smiles zinc_id inchikey mwt logp reactive purchasable tranche_name features CC(C)(C)c1ccc(C(=O)Nc2ccc(C(=O)NNC(=O)COc3cccc4ccccc34)cc2)cc1 12492085 FDAXLADAMOMPLX-UHFFFAOYSA-N 495.579 5.230 50 10 JKGE Cc1ccc(/C=C/C(=O)NNC(=O)c2ccc(NC(=O)c3ccc(C(C)(C)C)cc3)cc2)cc1 13977785 DNGIXLTYEKYBJQ-GIJQJNRQSA-N 455.558 5.019 50 10 JKGE N#C/C(=C\c1ccc(-c2c(Cl)cccc2Cl)o1)c1nc(O)c2cc(Br)ccc2n1 35519381 LGBFJAOQMGFJMB-DHZHZOJOSA-N 487.140 6.729 50 10 JKGE C=CCOc1ccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4cccc(Cl)c4)ccc32)cc1 38658230 IDPBSKIGDLDOLA-XMMPIXPASA-N 458.901 5.342 50 10 JKGE CCOC(=O)c1c(NC(=O)/C(C#N)=C/c2ccc(-c3cccc(F)c3)o2)sc2c1CCCC2 39884909 FOACLYZCGRBADZ-DTQAZKPQSA-N 464.518 5.748 50 10 JKGE CCOc1ccccc1[C@@H]1C(C#N)=C(N)Oc2cc(OC(=O)c3oc4ccc(F)cc4c3C)ccc21 40530388 YBUOHOMTZAVZTJ-VWLOTQADSA-N 484.483 5.716 50 10 JKGE COc1ccc(C(=O)N/N=C2\CCCc3oc(C(=O)Oc4cc(C)c(Cl)c(C)c4)c(C)c32)cc1 40813906 PIJTVJWABWXXKW-VFCFBJKWSA-N 480.948 5.556 50 10 JKGE Cc1c(C(=O)Nc2cc(Cl)ccc2Cl)oc2c1/C(=N/NC(=O)c1ccncc1)CCC2 40814006 AWHPCBXKGVMBQR-JVWAILMASA-N 457.317 5.013 50 10 JKGE CCOC(=O)N/N=C1\CCCc2oc(C(=O)Nc3ccc(/N=N/c4ccccc4)cc3)c(C)c21 40825560 JLNXFTYJQSNSJZ-RJGGAQKYSA-N 459.506 6.042 50 10 JKGE COc1cc(/C=N/NC(=O)COc2cc(C)ccc2C)cc(Br)c1OCc1ccccc1 40912395 MRMQGRMQVVHEHS-MZJWZYIUSA-N 497.389 5.183 50 10 JKGE C[C@H](SCc1ccccc1)C(=O)N/N=C1/C(=O)N(Cc2ccccc2Cl)c2ccccc21 59156978 LFESGDUZZLDXBF-UOIURVPMSA-N 463.990 5.029 50 10 JKGE Cc1ccc(NC(=O)/C(C#N)=C\c2ccc(-c3ccc(I)cc3)o2)cc1 59335059 HDQBDVRYYPRXAV-VBKFSLOCSA-N 454.267 5.405 50 10 JKGE N#C/C(=C/c1ccc(OCc2c(Cl)cccc2Cl)cc1)C(=O)NCc1ccc2c(c1)OCO2 96438813 FFMSXRUWJWXYFV-ZDLGFXPLSA-N 481.335 5.524 50 10 JKGE COc1ccc([C@@H](C(=O)NC2CCC(C)CC2)N(Cc2ccc(C)cc2)C(=O)CCl)cc1OC 97914819 WUHAZLMMCBUWTB-ZWNWOPDOSA-N 487.040 5.016 50 10 JKGE O=[N+]([O-])c1ccc(COc2ccc(CBr)cc2Br)c(Br)c1 110379332 VLVWDKIVVVFGEY-UHFFFAOYSA-N 479.950 5.594 50 10 JKGE Cc1ccc(C(CBr)(CBr)Cc2c(Cl)cccc2Cl)cc1 118876682 QZBULBAJLWVSMO-UHFFFAOYSA-N 451.029 6.572 50 10 JKGE Clc1cc([C@@H](Br)c2sccc2Br)sc1Br 127576087 BIRZJKUDCONCTB-SSDOTTSWSA-N 451.430 6.472 50 10 JKGE CCCCCCCCCOc1ccc(/C=N\NC(=O)c2cccn(C(C)C)c2=O)cc1OC 169919123 QXJMSPVNMSLDQF-DIBXZPPDSA-N 455.599 5.331 50 10 JKGE CCCOc1ccc([C@H](Br)c2ccc(Br)cc2)cc1Br 229009851 UHVKJXSLMRAAMC-MRXNPFEDSA-N 463.007 6.485 50 10 JKGE CC[C@H]1CCCC[C@H]1Oc1c(Br)cc(CBr)cc1Br 234071851 XCJYOTQNXIQJCC-SMDDNHRTSA-N 455.028 6.454 50 10 JKGE COc1c(C)cc([C@@H](Cl)c2cc(Br)ccc2I)cc1C 234921091 WMPQHAVJUAFLLL-OAHLLOKOSA-N 465.556 6.007 50 10 JKGE C[C@H](Br)c1ccccc1NC(=O)c1cc(Br)sc1Br 235411799 IAMBDNBCLCCOBH-ZETCQYMHSA-N 468.008 5.981 50 10 JKGE Cc1cc(Br)c([C@@H](Br)c2ccc(Cl)cc2C)cc1Br 235812636 SWRVVYUBONRRJD-HNNXBMFYSA-N 467.426 6.966 50 10 JKGE Clc1ccc([C@@H](Br)Cc2ccc(Br)cc2)cc1Br 236060992 MONDQJKAPYYLOZ-LBPRGKRZSA-N 453.399 6.544 50 10 JKGE O=[N+]([O-])c1ccccc1C[C@H](Br)c1ccc(F)cc1I 236165471 MGIHETKNMLBOGQ-LBPRGKRZSA-N 450.045 5.017 50 10 JKGE COc1ccccc1OCC(=O)NN=Cc1c(OCc2ccc(F)cc2)ccc2ccccc12 254292639 XEEFAJVWFIIOIK-UHFFFAOYSA-N 458.489 5.096 50 10 JKGE CCOc1ccc(-n2c(SCC(=O)NN=C(C)c3cccs3)nnc2-c2ccccc2)cc1 254309954 LRSMCRFADAOYSV-UHFFFAOYSA-N 477.615 5.027 50 10 JKGE CC[C@@H](C)c1ccc(OCCn2c(C)c(C=NNC(=O)c3ccncc3)c3ccccc32)cc1 254398834 OXZPLDXHMDUFFM-HXUWFJFHSA-N 454.574 5.701 50 10 JKGE CC(C)c1ccc(C=NNC(=O)CSc2nnc(-c3ccccc3)n2-c2ccccc2)cc1 254404960 FIQUBFMUDIXXJJ-UHFFFAOYSA-N 455.587 5.300 50 10 JKGE O=C(NN=Cc1ccc(OCc2ccccc2)cc1)C1=NNC(c2ccccc2)(c2ccccc2)C1 254827334 RHTSWLBWAWNZBW-UHFFFAOYSA-N 474.564 5.009 50 10 JKGE CC(=NNC(=O)c1ccc(COc2ccccc2-c2ccccc2)cc1)c1ccc([N+](=O)[O-])cc1 254846134 JWBCHAFHEPXTNQ-UHFFFAOYSA-N 465.509 5.995 50 10 JKGE Fc1cc(Oc2cccc(Br)c2CBr)c(Br)cc1Cl 394788549 IBLWDRHTWMMCGU-UHFFFAOYSA-N 473.361 6.691 50 10 JKGE CC(C)(C)[Si](C)(C)OCCc1cccc([C@H]2c3ccccc3CCN2Cc2ccccc2)c1 616677483 OKRZFCSWNJLZES-LJAQVGFWSA-N 457.734 7.399 50 10 JKGE CC(C)(C)[Si](C)(C)OCc1ccc([C@@H]2c3ccccc3CCN2S(=O)(=O)c2ccccc2)cc1 616689344 CLHCMBZWLDZSAR-HHHXNRCGSA-N 493.745 6.545 50 10 JKGE Cn1cc(CC(CBr)(CBr)c2ccc(Cl)cc2)c(Br)n1 714089000 MUFWHWCGBRHDGX-UHFFFAOYSA-N 485.445 5.106 50 10 JKGE O=C(NN=Cc1cc(Cl)ccc1OCc1ccccc1Cl)c1ccccc1Br 1083950197 XSEPAROAXGEYFL-UHFFFAOYSA-N 478.173 6.099 50 10 JKGE Cc1ccc(NC(=O)/C(C#N)=C\c2cc(Br)ccc2OCc2cccc(Cl)c2)cc1 1083974464 CSWBHKDZSCSNNZ-UNOMPAQXSA-N 481.777 6.536 50 10 JKGE Cc1c(Br)c(C=NNC(=O)CSc2ccc(Cl)cc2)c(C)n1-c1ccccc1 1084036672 XYSYPEWISYYFPY-UHFFFAOYSA-N 476.827 5.752 50 10 JKGE COC(=O)c1ccc(-c2ccc(C=NNC(=O)c3cc4cc(Br)ccc4o3)o2)c(C)c1 1084064048 IPNUMYHUMLBPST-UHFFFAOYSA-N 481.302 5.314 50 10 JKGE Cc1cccc(NC(=O)/C(C#N)=C\c2ccc(OCc3ccc(Cl)cc3Cl)cc2)c1C 1084488427 TZPIEEXKDHPJAD-NDENLUEZSA-N 451.353 6.735 50 10 JKGE COc1cc(/C=C(\C#N)C(=O)N(C)C)cc(Br)c1OCc1ccc(Cl)c(Cl)c1 1084528761 CHNWHMPDZNFIHL-MKMNVTDBSA-N 484.177 5.339 50 10 JKGE CC(/C=C/c1ccccc1)=NNC(=O)CSc1nnc(CCc2ccccc2)n1-c1ccccc1 1084566766 RPMMSQBPAJSXMR-JQMYTAAVSA-N 481.625 5.350 50 10 JKGE O=C(NN=Cc1ccc(OCc2ccc(Br)cc2)cc1)c1ccc(Cl)c(Cl)c1 1084631267 IIPNKGTYFNQZDD-UHFFFAOYSA-N 478.173 6.099 50 10 JKGE N#C/C(=C\Nc1ccc(OC(F)(F)F)cc1)[C@@H]1C(=O)C=C[C@H]1Nc1ccc(OC(F)(F)F)cc1 1088741852 QHYHQOYTPOBUQO-CQEYOHBHSA-N 483.368 5.539 50 10 JKGE Cc1ccc(C)c(NC(=O)c2oc3c(c2C)C(=NNC(=O)c2cccc4ccccc24)CCC3)c1 1772748955 UYIXAIURXWYZMR-UHFFFAOYSA-N 465.553 6.081 50 10 JKGE CC1(C)[C@H](/C=C(\Cl)C(F)(F)F)[C@@H]1C(=O)OC(=O)[C@H]1[C@H](/C=C(\Cl)C(F)(F)F)C1(C)C 1848440316 ZECUHEDDUFLFSO-ZFMJJHQYSA-N 467.233 5.971 50 10 JKGE CCCc1nn(Cc2ccccc2Cl)c2c1[C@H](c1cc(Cl)ccc1O)C(C#N)=C(N)O2 1865689235 NBMRVHZRIXQMKE-HXUWFJFHSA-N 455.345 5.114 50 10 JKGE Cc1ccc(COc2ccc([C@H]3C(C#N)=C(N)Oc4c3c(C)nn4-c3ccc(C)cc3)cc2)cc1 1865692179 BRVNIDRAYNOKJX-MHZLTWQESA-N 462.553 5.595 50 10 JKGE CCCOc1c(OC)cccc1[C@@H]1C(C#N)=C(N)Oc2c1c(C)nn2Cc1ccc(Cl)c(Cl)c1 1865693847 QZEGCUDDAXUAGK-JOCHJYFZSA-N 499.398 5.562 50 10 JKGE CCOc1ccc([C@@H]2C(C#N)=C(N)Oc3c2c(CC)nn3Cc2ccc(Cl)c(Cl)c2)cc1 1865695561 PYIYONMXBBNJPZ-OAQYLSRUSA-N 469.372 5.417 50 10 JKGE Cc1ccsc1[C@H]1C(C#N)=C(N)Oc2c1c(C(F)(F)F)nn2Cc1ccccc1Cl 1865698906 FXURXYQCLGIHEH-AWEZNQCLSA-N 450.873 5.192 50 10 JKGE CCCOc1ccccc1[C@@H]1C(C#N)=C(N)Oc2c1c(C(F)(F)F)nn2-c1ccccc1Cl 1865703636 XMSWZUSEQNNSSP-GOSISDBHSA-N 474.870 5.551 50 10 JKGE CCCc1nc(Nc2ccc(SC#N)cc2)cc(N2CCN(CCc3ccccc3OC)CC2)n1 1868388354 JJBVCNLSGKTHES-UHFFFAOYSA-N 488.661 5.119 50 10 JKGE N#C/C(=C(/O)c1c(Cl)ccc(Cl)c1Cl)c1nc(-c2ccc([N+](=O)[O-])cc2)cs1 1872747164 QDXZHINVXLOTPZ-BOPFTXTBSA-N 452.706 6.628 50 10 JKGE COc1ccc(/C=C(C(/O)=C(\C#N)c2nc(-c3ccc(C)cc3)cs2)\c2ccccc2)cc1 1872749318 LNCZHUVCBIMFLU-GEHATIBWSA-N 450.563 7.161 50 10 JKGE CCCOc1ccc(-c2csc(/C(C#N)=C(\O)COc3ccc(Cl)cc3Cl)n2)cc1 1872749554 WRFMNYDXGMBBFE-JZJYNLBNSA-N 461.370 6.777 50 10 JKGE CCc1cccc(C)c1N1C[C@@H](/C(O)=C(\C#N)c2nc(-c3ccc(C(C)(C)C)cc3)cs2)CC1=O 1872750673 JUSRFEQEFFGXOR-GYSBHSFWSA-N 485.653 6.824 50 10 JKGE COc1cc(C)c([C@H](Br)c2nc(C)sc2Br)cc1Br 1901631000 USUAGWDDCNLONF-NSHDSACASA-N 470.024 5.778 50 10 JKGE C[C@@H](Br)CN(Cc1ccccc1)Cc1cccc(Br)c1Br 1914607800 MMASCOKUBRQJCR-CYBMUJFWSA-N 476.050 5.997 50 10 JKGE FC(F)(F)c1ccc(N(Cc2ccccc2)[C@@H](CBr)C2CC2)c(Br)c1 1915190036 VBHRTHGHAGEHDA-SFHVURJKSA-N 477.162 6.648 50 10 JKGE C[C@H]1CN(Cc2ccccc2)C[C@H](C)N(c2ccc(CBr)c(Br)c2)C1 1921462784 GUHLOPUAGXYDQU-IRXDYDNUSA-N 466.261 5.691 50 10 JKGE Brc1cc(Br)c([C@@H](Br)[C@H]2Cc3ccccc3O2)s1 1922942526 RYBDOGHIKSSIRA-PWSUYJOCSA-N 452.993 5.713 50 10 JKGE COc1ccccc1[C@H](Br)c1sc(Br)c(C)c1Br 1922947191 ZIYXDCFGHQZVBR-NSHDSACASA-N 455.009 6.074 50 10 JKGE COCc1csc([C@H](Br)c2c(Br)sc(Br)c2Cl)c1 1923039684 PVFDNIZRTYMBFQ-QMMMGPOBSA-N 495.483 6.619 50 10 JKGE C[C@@H]1COC[C@H]1[C@@H](Br)c1c(Br)sc(Br)c1Br 1924612676 NHAIEJJZPVNCRR-WYDQCIBASA-N 497.872 5.754 50 10 JKGE Brc1cc([C@@H](Br)c2cc(C3CC3)c(Br)s2)cs1 1945803195 HUSOSQFNPQHUAN-LLVKDONJSA-N 457.050 6.696 50 10 JKGE Fc1cc([C@H](Br)c2cscc2OCc2ccccc2)c(F)cc1Br 1950320176 LUWSNICVMLKZAI-SFHVURJKSA-N 474.164 6.852 50 10 JKGE Cc1nc([C@H](Br)c2cc(Cl)c(Br)s2)c(Br)s1 1980606545 UMYMZVWLGMUNGY-ZCFIWIBFSA-N 466.445 6.176 50 10 JKGE Clc1c(Br)sc(Br)c1[C@@H](Br)[C@@H]1CC2(CC2)CO1 2001646328 KBKRVEIFVUFFLF-FSPLSTOPSA-N 465.432 5.932 50 10 JKGE Clc1c(Br)sc(Br)c1[C@@H](Br)[C@@H]1[C@H]2[C@H]3C[C@@H]1C[C@H]32 2016553131 RCRKZVNJFWGRKM-QTMLJZJBSA-N 461.444 6.265 50 10 JKGE CC(F)(F)CCC[C@@H](Cl)c1c(Br)sc(Br)c1Br 2023312058 RAARXXOSJSZGHV-RXMQYKEDSA-N 475.418 7.141 50 10 JKGE Cn1ncc([C@@H](Br)c2cc(C3CC3)c(Br)s2)c1Br 2033642712 LFYNFKDAFVIAFJ-SNVBAGLBSA-N 455.013 5.368 50 10 JKGE BrCc1c(Br)cccc1N1CC[C@]2(CCN(Cc3ccccc3)C2)C1 2044888661 YRVZDQKYMJXNHL-NRFANRHFSA-N 464.245 5.446 50 10 JKGE CSc1ccc(-n2nc(CBr)c(I)c2C(F)(F)F)cc1 2079256996 JGPZFHUDOISUBV-UHFFFAOYSA-N 477.087 5.113 50 10 JKGE C[C@H]1O[C@H](Sc2ccccc2)[C@@H](O[Si](C)(C)C(C)(C)C)[C@@H]1O[Si](C)(C)C(C)(C)C 2080608400 OFGJJVPXPJJODQ-AYWYSENESA-N 454.825 7.304 50 10 JKGE Cc1c(F)ccc([C@H](Br)c2cc(Br)c(Br)s2)c1C 2083353553 ZXTSYPCDAGZHQZ-LBPRGKRZSA-N 457.000 6.513 50 10 JKGE Cc1cccc(C[C@@H](Br)c2ccc(Br)cc2I)c1 2086144999 HPUYGIZAIVEXGT-CQSZACIVSA-N 479.981 6.041 50 10 JKGE Cc1c(Br)sc([C@H](Br)[C@@H]2CC[C@]3(C2)CC3(F)F)c1Br 2099915053 JQTHJLLERDYUJH-GMEUVTARSA-N 479.022 6.843 50 10 JKGE Cl[C@@H](c1c(Br)sc(Br)c1Br)[C@H]1CCCCC12CCC2 2117006695 GLIOFQUPLGRDMH-LDYMZIIASA-N 491.514 7.676 50 10 JKGE BrC[C@H]1CCN(Cc2cc(Br)ccc2Br)C12CCC2 2133826138 VRQNDICGOVGSOA-GFCCVEGCSA-N 452.028 5.351 50 10 JKGE BrCc1cc(Br)c(OC[C@H]2C[C@@H]2C2CCC2)c(Br)c1 2135244302 DUIBFGBLIIXGNS-VXGBXAGGSA-N 453.012 5.922 50 10 JKGE Cc1cc(Br)c(C)c([C@@H](Cl)c2nn(C)cc2Br)c1Br 2136379553 LNXKYCQNTUXBKD-GFCCVEGCSA-N 471.418 5.653 50 10 JKGE Cc1c(Br)ccc([C@@H](Br)C23CCC(CC2)OC3)c1Br 2138853516 WKAADJZQJOVEGW-CIQACWJJSA-N 453.012 5.915 50 10 JKGE Cc1c(Br)ccc([C@H](Br)[C@H]2[C@@H]3[C@H]2CCC3(F)F)c1Br 2138869627 BMDYSFWBTBRJRR-RINBACNTSA-N 458.966 6.247 50 10 JKGE Clc1cc(CN(CCBr)c2ccccc2)ccc1I 2142949619 LGCPYKREUDGYJV-UHFFFAOYSA-N 450.545 5.346 50 10 JKGE C[C@H](Br)C[C@@H]1CCCCCN1Cc1ccc(Br)cc1Br 2148686329 WLRXBGAJMYWMEO-WFASDCNBSA-N 468.071 6.130 50 10 JKGE Cl[C@@H](c1cccc(Br)c1Br)c1cc(Br)cc2c1OCC2 2148748362 BZIJBDZPYREQBE-AWEZNQCLSA-N 481.409 6.237 50 10 JKGE CCn1ncc(Br)c1C[C@H](CBr)Cc1ccc(Br)cc1 2150691540 SMTSVVPXZDCZTL-GFCCVEGCSA-N 465.027 5.224 50 10 JKGE O=C(c1c(Br)cccc1Br)N1[C@H]2CCC[C@@H](Br)[C@H]1CC2 2154096203 HCEXFAOJWKNDJX-OPQQBVKSSA-N 466.011 5.132 50 10 JKGE Cc1cc(Br)c(CBr)c(N2C[C@]3(C)CN(Cc4ccccc4)C[C@]3(C)C2)c1 2173453211 PNKNNWOWRLREHB-ZRZAMGCNSA-N 492.299 6.001 50 10 JKGE Brc1ccc(Br)c(CC[C@@H](Br)CN2CCCCCC2)c1 2175147999 UEHMLSFOWPBAKS-OAHLLOKOSA-N 468.071 5.784 50 10 JKGE COc1c(CBr)cc(Cl)cc1S(=O)(=O)N(Cc1ccccc1)C1CCCC1 2179826089 OTUFGSZCRBJHLO-UHFFFAOYSA-N 472.832 5.377 50 10 JKGE CN([C@H]1CC[C@H]1OCc1ccccc1)S(=O)(=O)c1cc(CBr)c(Cl)cc1Cl 2179835559 UVSNAVJBOMQBDH-ZWKOTPCHSA-N 493.250 5.257 50 10 JKGE CC(C)CNCc1cc(Br)cc(Br)c1OC[C@@H]1C[C@H]1Br 2196907843 UFRNXWAPYJAHGT-WCQYABFASA-N 470.043 5.119 50 10 JKGE Fc1ccc(CO[C@H](CI)c2cccc(Cl)c2)c(Br)c1 2206265768 KZTRZKDSLDDUHU-OAHLLOKOSA-N 469.519 5.935 50 10 JKGE ClCc1nc2cc(Br)c(Br)cc2n1CCOCc1ccccc1 2210492726 OGLOTFYZNJGVQY-UHFFFAOYSA-N 458.581 5.517 50 10 JKGE CCCCOC[C@@H](Cl)Cc1sc(Br)c(Br)c1Br 2216420723 NXKNPLRVIGXJOT-ZETCQYMHSA-N 469.464 6.002 50 10 JKGE CC1([C@H](Br)c2cc(Br)c(Br)cc2F)CC(F)(F)C1 2218596644 HFNPKOGZPBMNRB-SNVBAGLBSA-N 450.918 6.222 50 10 JKGE Cc1ccc([C@@H](Cl)c2c(Br)sc(Br)c2Br)c(F)c1F 2231340209 KCBJGHAIQYGFRZ-MRVPVSSYSA-N 495.408 6.950 50 10 JKGE O=C(c1csc(Br)c1Br)N1C[C@@H](Br)CC12CCCC2 2232260797 LUWMRPDSZQIUJZ-QMMMGPOBSA-N 472.040 5.195 50 10 JKGE Cc1cc([C@H](Br)c2c(Br)cc(Cl)c(Cl)c2Cl)ccc1F 2232509337 CRVQTQUWOWEEOI-LBPRGKRZSA-N 461.383 7.341 50 10 JKGE Cc1ccc(C[C@H](Br)c2cc(Br)c(Br)cc2F)cc1C 2233975285 JEIYOCRDYQXMJB-ZDUSSCGKSA-N 464.998 6.646 50 10 JKGE CC[C@@]12CC[C@@]([C@H](Br)c3cc(Br)c(Br)cc3F)(CO1)C2 2233976333 OPNHNTPHOQXSDE-ILXRZTDVSA-N 471.002 6.136 50 10 JKGE Fc1cc(Br)c(Br)cc1[C@H](Br)c1ccc2c(c1)CCO2 2233977527 VVGLLANPTHDJLR-OAHLLOKOSA-N 464.954 5.770 50 10 JKGE Fc1cc(Br)c(Br)cc1[C@@H](Br)c1ccc2sncc2c1 2233981558 KCWNZMLFTRKUHW-AWEZNQCLSA-N 479.994 6.445 50 10 JKGE Clc1cc([C@H](Br)c2scc(Br)c2Cl)sc1Br 2242670215 CGXIOGMRSVRREG-LURJTMIESA-N 485.875 7.126 50 10 JKGE Clc1cc(Br)c([C@@H](Cl)c2cocc2Br)c(Cl)c1Cl 2258147592 IXORAZKJISOPGE-VIFPVBQESA-N 453.772 7.093 50 10 JKGE COc1ccc([C@H](Cl)c2ccc(F)cc2Br)cc1I 2269540096 GDAAVKMEQVOGBJ-AWEZNQCLSA-N 455.492 5.530 50 10 JKGE COc1cc(C)c(Cl)cc1[C@@H](Br)c1ccccc1I 2277904907 KTUXPLVUYPKJRK-HNNXBMFYSA-N 451.529 5.746 50 10 JKGE Cc1cc(Br)c([C@H](Cl)c2ccc(I)c(Cl)c2)c(C)c1F 2279157705 KARXYVNDKOHSKS-CQSZACIVSA-N 487.965 6.791 50 10 JKGE COc1cc(OCc2cc(Br)ccc2Br)ccc1CBr 2282826474 SLOMXLCDYIMPGS-UHFFFAOYSA-N 464.979 5.694 50 10 JKGE Fc1cc([C@@H](Br)Cc2cc(Cl)cc(Cl)c2)c(Cl)cc1Br 2282967518 PHSICIHSYYEMPL-NSHDSACASA-N 461.383 7.227 50 10 JKGE COc1ccc([C@H](Br)c2cc(Cl)cc(Cl)c2)c(Br)c1Cl 2283563531 NXPBJFYVTZCFAI-GFCCVEGCSA-N 459.392 6.902 50 10 JKGE COc1ccc([C@H](Br)c2cc3sc(C)cc3s2)cc1I 2284995815 DPLLWMWOMGXLGN-HNNXBMFYSA-N 479.202 6.369 50 10 JKGE Cc1cc(Br)c(C)c([C@H](Br)C2CC3(CC(F)C3)C2)c1Br 2287693617 AILMVPZWVSBLKL-RGMKSQPISA-N 469.030 6.793 50 10 JKGE Brc1cccc(CN2CCC3(CC[C@H](Br)C3)CC2)c1Br 2288058380 HWWYIICSXGCXCA-ZDUSSCGKSA-N 466.055 5.741 50 10 JKGE Cc1ccc([C@H](Cl)c2c(F)cc(Br)c(F)c2Br)cc1Br 2288353816 LVYILNRCYWKGRN-ZDUSSCGKSA-N 489.379 6.889 50 10 JKGE Fc1cc(Br)c(F)c(Br)c1[C@H](Br)C[C@H]1CCCC12CC2 2288488777 MGLHALHAQBRJND-RKDXNWHRSA-N 472.993 6.896 50 10 JKGE O=C(c1cc(Br)c(Br)s1)N1CCC(CBr)(C(F)F)CC1 2289942445 PEJINTHRPHCBFA-UHFFFAOYSA-N 496.009 5.156 50 10 JKGE COc1cc(OC)c([C@H](Cl)c2ccccc2I)cc1Br 2295425444 GRWABROCFFTHEP-OAHLLOKOSA-N 467.528 5.399 50 10 JKGE CC(C)OC(=O)c1ccc(NC=C(C#N)c2nc(-c3cccc(Br)c3)cs2)cc1 2296798433 SVUACCXEAHHHBD-UHFFFAOYSA-N 468.376 6.114 50 10 JKGE N#CC(=Cc1ccccc1C(F)(F)F)C(=O)Nc1nc2c(s1)CCN(Cc1ccccc1)C2 2297399295 DQZMDEUHGYVGCF-UHFFFAOYSA-N 468.504 5.266 50 10 JKGE COCC1([C@@H](Br)c2ccc(OCc3ccccc3)cc2Br)CCC1 2299489348 OIAMQCKIJJJKGO-IBGZPJMESA-N 454.202 6.281 50 10 JKGE Brc1cc(OCc2ccccc2)ccc1[C@H](Br)[C@@H]1[C@H]2CCCC[C@H]21 2299489585 QOPFTGKMUCIZTE-NLEAXPPASA-N 450.214 6.900 50 10 JKGE CCCC(CCC)[C@@H](Br)c1ccc(OCc2ccccc2)cc1Br 2299497283 QNAIXWXZALTMFV-OAQYLSRUSA-N 454.246 7.681 50 10 JKGE CC1(C)[C@@H](Br)C[C@H]1OCc1cc(I)ccc1Br 2302812783 AXSDYICVLLYOQN-NWDGAFQWSA-N 473.974 5.132 50 10 JKGE Cc1cccc(COc2ccc(Cl)cc2C=C(C#N)C(=O)Nc2cccc(C(F)(F)F)c2)c1 2313676582 GGQZDWJHYPBVGV-UHFFFAOYSA-N 470.878 6.792 50 10 JKGE N#CC(=Cc1cn(-c2ccccc2)nc1-c1ccc(Cl)cc1)c1nc(-c2ccccc2)cs1 2314487798 KFKPSNGXCGGNGB-UHFFFAOYSA-N 464.981 7.380 50 10 JKGE C[C@H](NC(=O)C(C#N)=Cc1cn(-c2ccccc2)nc1-c1cccc2ccccc12)c1ccccc1 2314490494 YILBQLFYDDILNF-QFIPXVFZSA-N 468.560 6.477 50 10 JKGE N#CC(=Cc1ccc(-c2cccc(Cl)c2Cl)o1)C(=O)Nc1ccc(OC(F)(F)F)cc1 2314571045 AXIOINHXXZMAPY-UHFFFAOYSA-N 467.230 6.698 50 10 JKGE COc1ccc(N2C(=O)[C@@H](Cc3ccccc3)SC2=C(C#N)C(=O)Nc2ccc(C)cc2)cc1 2314592273 PNSFKKVQEYSKHE-XMMPIXPASA-N 469.566 5.069 50 10 JKGE CCCSc1ccc(-c2nn(-c3ccccc3)cc2C=C2C(=O)N(C(C)C)C(=O)C(C#N)=C2C)cc1 2314611293 SLDMEHSOOKGFIT-UHFFFAOYSA-N 496.636 6.042 50 10 JKGE COc1ccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)C=Cc4ccc(Cl)cc4Cl)ccc32)cc1 2314634225 HDXNGJSMRHNOKP-VWLOTQADSA-N 493.346 5.839 50 10 JKGE N#CC(=CNc1ccccc1Sc1ccccc1)C(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1 2325205859 IAOREKFRMHCSIF-UHFFFAOYSA-N 450.907 5.857 50 10 JKGE CCOc1cc(C=C(C#N)c2cc3c(cc2[N+](=O)[O-])OCCO3)ccc1OCc1ccc(Cl)cc1 2331051573 MGDIYYREBZOCRO-UHFFFAOYSA-N 492.915 6.061 50 10 JKGE COC(=O)c1ccccc1N1C[C@@H](C(O)=C(C#N)c2nc(-c3ccccc3Cl)cs2)CC1=O 2331266971 RLVGLUWRFWEPPS-AWEZNQCLSA-N 479.945 5.096 50 10 JKGE COc1ccccc1-c1csc(C(C#N)=C(O)C=Cc2cc(Br)c(OC)c(OC)c2)n1 2331281893 DYVPBSYACAMKAQ-UHFFFAOYSA-N 499.386 6.104 50 10 JKGE CC[C@@H](C)[C@H](C(O)=C(C#N)c1nc(-c2ccc(F)cc2F)cs1)N1C(=O)c2ccccc2C1=O 2331293043 KXBGCGPGXLIVQB-LRTDBIEQSA-N 479.508 5.592 50 10 JKGE COc1cc(C=CC(O)=C(C#N)c2nc(-c3cc(C(C)(C)C)ccc3C)cs2)ccc1OC(C)=O 2331396381 SQRBDCVNHQRASZ-UHFFFAOYSA-N 488.609 6.856 50 10 JKGE CN(C)c1ccc(C(O)=C(C#N)c2nc(-c3cc(Cl)ccc3Cl)cs2)cc1[N+](=O)[O-] 2331405558 XICKLKULJNUPGQ-UHFFFAOYSA-N 461.330 6.041 50 10 JKGE N#CC(=Cc1ccc(Cl)c([N+](=O)[O-])c1)c1nc(-c2ccc(Oc3ccccc3)cc2)cs1 2331464348 CYLYVLMVEHYCJD-UHFFFAOYSA-N 459.914 7.228 50 10 JKGE CC1(C)CC(C)([C@@H](Br)c2c(Cl)cc(Br)c(F)c2Br)C1 2337082054 HDSUHQRDMWQZBP-LBPRGKRZSA-N 477.437 7.266 50 10 JKGE C[C@]12C[C@H](C1)[C@@H]([C@H](Br)Cc1cc(Br)cc(Br)c1)CO2 2337698155 RIYHALYCTBHJGR-BSLXNSKLSA-N 453.012 5.333 50 10 JKGE CC[C@@H](CC(C)C)[C@H](Br)c1c(C)cc(Br)c(F)c1Br 2339679123 KLRYYUMRUWSQPK-GWCFXTLKSA-N 459.035 7.167 50 10 JKGE Cc1cc(Br)c(F)c(Br)c1[C@H](Br)[C@H]1CCCC[C@H]1C 2339680157 TYMSHWRJGYSWGX-DFAYQTQMSA-N 457.019 6.921 50 10 JKGE Cc1cc(Br)c(F)c(Br)c1[C@H](Br)[C@@H]1C[C@H]2CC[C@@H]1C2 2339688334 GFLLXHUZQKBZNP-DCJFZGGZSA-N 455.003 6.531 50 10 JKGE CN(c1cc(Br)cc(F)c1CCl)[C@H]1C[C@@H]2C[C@@H](OCc3ccccc3)C[C@H]12 2357089884 QHSZQUWMFPKAIL-DKXUYOFUSA-N 452.795 6.147 50 10 JKGE COc1ccc([C@@H](Br)[C@H]2CC[C@@H]3[C@H](C2)C3(F)F)cc1I 2359464709 HSNANEHZHXNUAD-ZMZKGCHWSA-N 457.096 5.417 50 10 JKGE Fc1c(Br)cc(Cl)c([C@H](Cl)[C@@H]2CC[C@@H]3[C@H]2C3(F)F)c1Br 2362238212 HYGMSVMBXAMPBX-QZXXDCEPSA-N 452.923 6.575 50 10 JKGE CC(C)(C)OC(=O)NCC[C@@H]1CCN(CC2(CBr)CCC2)[C@H](C(F)(F)F)C1 2362785716 BTMSFXJAKQYELA-CABCVRRESA-N 457.375 5.109 50 10 JKGE CCn1cc(Br)c([C@H](Cl)c2c(C)cc(Br)c(F)c2Br)n1 2365196080 IUIFGCBLCNGLGS-LLVKDONJSA-N 489.408 5.966 50 10 JKGE COc1cc(Cl)c(CBr)c(N2CCN(Cc3ccccc3)[C@@H](C(C)C)C2)c1 2365813096 WJGMYTPJXJDRRR-JOCHJYFZSA-N 451.836 5.590 50 10 JKGE Cl[C@@H]1CC[C@H]2CCCN(Cc3ccc(I)c(Br)c3)[C@H]2C1 2377334233 HUZRIYIVBPLAKP-IOASZLSFSA-N 468.604 5.426 50 10 JKGE COc1ccc(C[C@H]2S/C(=C(\C#N)C(=O)Nc3ccc(C)cc3)N(c3ccccc3C)C2=O)cc1 2193594 CFQJYWXORZVTIG-ZDDKYUFNSA-N 483.593 5.377 50 10 JKGE COc1ccc(/C(C)=N\NC(=O)c2ccc(CSc3cccc4cccnc34)cc2)cc1OC 13136136 XUTJXPVCVCZSOB-MIXAMLLLSA-N 471.582 5.698 50 10 JKGE COc1cc(/C=C(/C#N)C(=O)Nc2cccc(Cl)c2)c(Br)cc1OCc1ccccc1 16194881 VOTUWKYFXXLWEJ-ZDLGFXPLSA-N 497.776 6.236 50 10 JKGE COc1ccc(C(=O)Oc2cc(/C=C(/C#N)C(=O)Nc3cc(Cl)cc(Cl)c3)ccc2OC)cc1 33499307 VYOXULQDWGJCSB-MFOYZWKCSA-N 497.334 5.775 50 10 JKGE CCOC(=O)c1c(NC(=O)/C(C#N)=C/c2ccc(-c3c(Cl)cccc3Cl)o2)sc(C)c1C 33568449 FNJCEFMBLGTBHC-GXDHUFHOSA-N 489.380 6.654 50 10 JKGE Cc1cc(C)cc(Oc2nc3c(C)cccn3c(=O)c2/C=C(\C#N)c2nc3ccccc3n2C)c1 33584205 XLGVDKQMISWTHP-HMMYKYKNSA-N 461.525 5.363 50 10 JKGE Fc1ccc(Br)cc1COc1ccc(Br)cc1CBr 37311750 LTGZEXHVIBJUSY-UHFFFAOYSA-N 452.943 5.825 50 10 JKGE COc1cccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4ccc(Cl)cc4Cl)ccc32)c1OC 38658796 YIYFZICHSLHBOY-QFIPXVFZSA-N 497.334 5.448 50 10 JKGE CSc1ccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)COc4ccc(Cl)c(C)c4)ccc32)cc1 38682474 YJQBNSYYMULBCH-VWLOTQADSA-N 492.984 5.573 50 10 JKGE Cc1cc2oc(C(=O)Oc3ccc4c(c3)OC(N)=C(C#N)[C@H]4c3ccccc3Cl)c(C)c2cc1C 38687619 LZBPJYWKZHTUCW-VWLOTQADSA-N 484.939 6.449 50 10 JKGE COc1cccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4oc5ccc(C)cc5c4C)ccc32)c1OC 38688655 DZXGGJQGTOFDHU-VWLOTQADSA-N 496.519 5.504 50 10 JKGE Cc1cccc(Oc2nc3c(C)cccn3c(=O)c2/C=C(/C#N)C(=O)Nc2cccc(Cl)c2)c1C 39858803 SBIGBBWNVDWRAF-UYRXBGFRSA-N 484.943 5.611 50 10 JKGE N#C/C(=C\c1ccc(-c2ccccc2F)o1)c1nc(-c2ccc(Br)cc2)cs1 39885016 LFKPVXPYALDAJG-RVDMUPIBSA-N 451.320 7.036 50 10 JKGE COc1ccc(NC(=O)c2oc3c(c2C)/C(=N/NC(=O)Cc2coc4c(C)c(C)ccc24)CCC3)cc1 40826739 YSOSQQGPWQTZKL-UQRQXUALSA-N 499.567 5.611 50 10 JKGE COc1cc(/C=N/NC(=O)CSCc2ccccc2Cl)ccc1OCc1ccc(C(=O)O)cc1 59165880 PUSPVWRKPUOWNE-UVHMKAGCSA-N 498.988 5.009 50 10 JKGE CC1(C)[C@@H](Br)C[C@H]1Oc1c(I)cc(Cl)c2cccnc12 97646903 JNMYGPOWQVDCGK-NWDGAFQWSA-N 466.544 5.434 50 10 JKGE CC1=C(C#N)C(=O)N(CCCOC(C)C)C(=O)/C1=C/c1ccc(-c2cccc(Cl)c2Cl)o1 101336274 YKLNJPFRDMRZKM-LDADJPATSA-N 473.356 5.661 50 10 JKGE COC(=O)c1c(N/C=C(\C#N)c2nc(-c3ccc(OC(C)=O)cc3)cs2)sc(C)c1C 102588219 PJIVTBXROGPHMD-MHWRWJLKSA-N 453.545 5.177 50 10 JKGE N#CC1=C(S)N(c2ccccc2)[C@@H](/C=C\c2ccc(-c3cc(Cl)ccc3Cl)o2)NC1=O 102957740 GLSUONZYFCGARF-OMCJBDSBSA-N 468.365 5.894 50 10 JKGE COc1c(Br)cc(Cl)cc1[C@@H](Cl)c1cccc(I)c1 109795228 NVOJFPNUAGAAOG-ZDUSSCGKSA-N 471.947 6.044 50 10 JKGE COc1cc([C@H](Cl)c2ccc(Br)cc2Cl)c(OC)cc1Br 134290970 BBUOENMGPBYORH-OAHLLOKOSA-N 454.973 6.210 50 10 JKGE COc1ccc([C@@H](Br)c2ccc(Br)c(Cl)c2)cc1Br 148956605 HVNIFSGGOCEWGI-CQSZACIVSA-N 469.398 6.358 50 10 JKGE O=C(NC[C@H]1CCCC[C@@H]1CBr)c1cc(Br)ccc1Br 161228562 UYOQFZILCCQTTL-GHMZBOCLSA-N 468.027 5.143 50 10 JKGE CCCCCOc1ccccc1[C@H]1C(C#N)=C(N)Oc2cc(OC(=O)/C=C\c3ccc(C)cc3)ccc21 205661496 FWFPAJKWIXFZDD-JDQPZIKVSA-N 494.591 6.401 50 10 JKGE CCCOc1ccccc1/C=C(/C#N)C(=O)Nc1scc(-c2ccc(C)c(C)c2)c1C(=O)OCC 206986865 JKIPGBXCHVRSSL-JCMHNJIXSA-N 488.609 6.543 50 10 JKGE CCOC(=O)/C(C#N)=C\c1ccc(OC(=O)/C=C\c2ccc(OCCC(C)C)c(OC)c2)c(OC)c1 207166118 LNRPNLUULPVZCA-ZFSSDNBDSA-N 493.556 5.218 50 10 JKGE CCOc1ccc(-c2nn(-c3ccccc3)cc2/C=C2\C(=O)N(C(C)C)C(=O)C(C#N)=C2C)cc1F 214248229 OMQMYNKBWPMKSC-XKZIYDEJSA-N 484.531 5.078 50 10 JKGE CCOc1cc(/C=C2\C(=O)N(Cc3ccccc3)C(=O)C(C#N)=C2C)ccc1OCc1ccc(F)cc1 214283032 QYQRUFBCAQJVFN-MYYYXRDXSA-N 496.538 5.596 50 10 JKGE CCOc1ccc(C)cc1[C@H](C)NC(=O)/C(C#N)=C\Nc1ccc(Cl)c(C(F)(F)F)c1 217184588 XTRRIIJRACWSHV-UZFBZYOGSA-N 451.876 5.763 50 10 JKGE COc1ccc([C@H](Br)c2ccc(F)cc2I)c(Cl)c1 234999510 OPFCTBHSPFPBHT-AWEZNQCLSA-N 455.492 5.577 50 10 JKGE C[C@H]1Cc2cc([C@@H](Cl)c3cc(Br)ccc3I)ccc2O1 235767565 FBPPPZJLYJRASQ-XXFAHNHDSA-N 463.540 5.705 50 10 JKGE Cc1cc([C@@H](Br)c2cc(Br)ccc2I)cc(C)c1F 235862354 PTRKGUNAGYZHKP-CQSZACIVSA-N 497.971 6.294 50 10 JKGE CCOc1ccc(C(=O)Oc2ccc(C=NNC(=O)c3cc4ccccc4cc3O)cc2OCC)cc1 254488186 HPGWKLNOVQPPOH-UHFFFAOYSA-N 498.535 5.326 50 10 JKGE CCCCOc1ccc(OCC(=O)NN=Cc2ccc(OC(=O)c3ccc(OCC)cc3)cc2)cc1 254584039 ZAFKDZGIOWLXGN-UHFFFAOYSA-N 490.556 5.013 50 10 JKGE COc1cc(C=NNC(=O)COc2ccc(-c3ccccc3)cc2)ccc1OCc1ccccc1 254757288 IYQKBZBUBIQZAB-UHFFFAOYSA-N 466.537 5.470 50 10 JKGE CC(=NNC(=O)c1cc(-c2ccc(OCc3ccccc3)cc2)n[nH]1)c1cccc2ccccc12 254815583 XDXKDJJAQNLQJD-UHFFFAOYSA-N 460.537 5.963 50 10 JKGE CCCCOc1ccc(C(=O)Oc2ccc(C=NNC(=O)c3cccc(C)c3)cc2OC)cc1 254819869 ZZDAMOVULGDIIJ-UHFFFAOYSA-N 460.530 5.166 50 10 JKGE CCC(C)(C)c1ccc(OCCCC(=O)NN=Cc2ccc3c(c2)OCO3)c(C(C)(C)CC)c1 254845500 DNKQVRYBPSQQPY-UHFFFAOYSA-N 466.622 6.100 50 10 JKGE C[C@H](Cl)C[C@@H]1CCCCN1C(=O)c1cc(I)ccc1Br 312954764 LNLYBEJTWGNZEG-JQWIXIFHSA-N 470.576 5.066 50 10 JKGE C[C@@H](Cl)c1nc2cc(Br)c(F)cc2n1[C@@H]1CCCN(Cc2ccccc2)C1 379555117 GMJYXZOIDIJYRR-GDBMZVCRSA-N 450.783 6.075 50 10 JKGE CC(C)(C)OC(=O)N1C[C@@H](CI)[C@H](c2ccc(Cl)cc2Cl)C1 382693129 OCHIWQHOTVZYRQ-ZWNOBZJWSA-N 456.151 5.379 50 10 JKGE CC[C@@H](Cl)c1nc2ccccc2c(=O)n1CCCN(Cc1ccccc1)Cc1ccccc1 390511916 ZQJXLKDUFZKFAE-RUZDIDTESA-N 460.021 6.179 50 10 JKGE FC1(F)CCCC[C@H]1COc1c(Br)cc(Br)cc1CBr 394633564 WEMBSRMESUXDPF-JTQLQIEISA-N 476.981 6.311 50 10 JKGE CC[C@H](CC(F)(F)F)[C@@H](Br)c1cc(I)cc2c1OCC2 402682606 ZXRXCSIFYFUEPD-PRHODGIISA-N 463.075 5.641 50 10 JKGE Fc1ccc([C@@H](Br)c2cccc(OCc3ccccc3)c2)c(F)c1Br 691515399 UMEDYKZIUGEDGK-SFHVURJKSA-N 468.135 6.791 50 10 JKGE Clc1ccccc1C(CBr)(CBr)Cc1ccncc1Br 702866416 XSTSLHYHXRTVPS-UHFFFAOYSA-N 482.441 5.768 50 10 JKGE CN(Cc1ccccc1)[C@@H](Cn1c(CCl)nc2cc(I)c(F)cc21)C1CC1 717998502 SDTUYWLFYNVMDV-FQEVSTJZSA-N 497.783 5.429 50 10 JKGE O=C(Nc1ccccc1C(=O)NN=Cc1cccc(OCc2ccccc2Cl)c1)c1cccs1 1084190341 SUOYBUQIJFFGIC-UHFFFAOYSA-N 489.984 5.997 50 10 JKGE CCOc1c(Br)cc(/C=C(/C#N)C(=O)Nc2cccc(C(F)(F)F)c2)cc1OC 1084206947 ZHNYKBPFPAYLFY-QPEQYQDCSA-N 469.257 5.421 50 10 JKGE O=C(NN=Cc1ccccc1Oc1ccc(C(F)(F)F)cc1[N+](=O)[O-])c1cc2ccccc2cc1O 1084334520 YUQUBNLTQCCKNY-UHFFFAOYSA-N 495.413 6.029 50 10 JKGE CC(CC(C)(C)c1ccccc1)=NNC(=O)CN(c1ccccc1C)S(=O)(=O)c1ccccc1 1084526568 NATCNGKXAJPFSI-UHFFFAOYSA-N 477.630 5.050 50 10 JKGE COc1cc(C=NNC(=O)c2ccccc2NC(=O)c2ccco2)ccc1OCc1ccc(F)cc1 1084595612 FGRLXURQWAOLFJ-UHFFFAOYSA-N 487.487 5.023 50 10 JKGE 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 1085230506 XDHSPKUJYNEBHS-KIYXGHCESA-N 481.471 5.308 50 10 JKGE Cc1ccc(NC(=O)c2oc3c(c2C)C(=NNC(=O)c2ccc(Br)cc2)CCC3)c(C)c1 1772743715 KCGAYRLBZPKDSZ-UHFFFAOYSA-N 494.389 5.690 50 10 JKGE Cc1c(C(=O)Oc2ccc3ccccc3c2)oc2c1C(=NNC(=O)c1ccccc1F)CCC2 1772744667 ZUVHHITUJWKLLM-UHFFFAOYSA-N 456.473 5.570 50 10 JKGE COc1cc(C=NNC(=O)COc2ccccc2-c2ccccc2)ccc1OCCc1ccccc1 1772753968 MRTGNZLDFDADAE-UHFFFAOYSA-N 480.564 5.513 50 10 JKGE N#CC1=C(N)Oc2c(c(-c3ccccc3)nn2Cc2ccccc2)[C@@H]1c1ccc(Cl)c(Cl)c1 1865685862 NVMVGNRXZBZPEU-JOCHJYFZSA-N 473.363 6.123 50 10 JKGE COc1ccc(-n2nc(C(F)(F)F)c3c2OC(N)=C(C#N)[C@@H]3c2ccc(Cl)c(Cl)c2)cc1 1865685982 PQVUKXLEOMHXEV-INIZCTEOSA-N 481.261 5.425 50 10 JKGE CCCOc1ccc([C@H]2C(C#N)=C(N)Oc3c2c(C(F)(F)F)nn3-c2cccc3ccccc23)cc1 1865694390 UPWDJJOTXYZILN-QFIPXVFZSA-N 490.485 6.051 50 10 JKGE CCc1nn(CC(C)C)c2c1[C@@H](c1ccc(OCc3ccccc3Cl)cc1)C(C#N)=C(N)O2 1865704487 XCLKMMLSRYDPAE-QHCPKHFHSA-N 462.981 5.552 50 10 JKGE COc1ccc([C@H]2C(C#N)=C(N)Oc3c2c(-c2ccccc2)nn3Cc2cccc(Cl)c2)cc1OC 1865706796 FUQBJACMYZSHQK-DEOSSOPVSA-N 498.970 5.487 50 10 JKGE N#CC1=C(N)Oc2c(c(-c3ccccc3)nn2-c2cccc(Cl)c2)[C@@H]1c1ccccc1[N+](=O)[O-] 1865710263 SKALNDWOPZPBCJ-OAQYLSRUSA-N 469.888 5.319 50 10 JKGE COc1ccc(-c2nn(-c3cccc(Cl)c3)c3c2[C@H](c2cccc(C)c2)C(C#N)=C(N)O3)cc1 1865711156 QWJGPGJHKMLJSW-HSZRJFAPSA-N 468.944 5.728 50 10 JKGE COc1ccc(CCCC(=O)N[C@H](C(=O)Nc2ccc(SC#N)cc2)c2ccccc2)cc1OC 1866785518 RXQAIHGECAGZBP-SANMLTNESA-N 489.597 5.096 50 10 JKGE CC(C)Cc1nc(C(=O)N[C@@H](Cc2ccccc2)C(=O)Nc2ccc(SC#N)cc2)c2ccccn12 1866868866 IOCPHPVTJSYVDU-QHCPKHFHSA-N 497.624 5.086 50 10 JKGE CCOc1cc(/C=C(\C#N)c2ncccc2[N+](=O)[O-])ccc1OCc1c(Cl)cccc1Cl 1872729029 JJLDBJHRTRZJEJ-LFIBNONCSA-N 470.312 6.338 50 10 JKGE COc1ccc(/C=C/C(O)=C(\C#N)c2nc(-c3ccc(-c4ccccc4)cc3)cs2)cc1OC 1872743771 LJAGFHYFWFETKM-VOWGDBMJSA-N 466.562 7.000 50 10 JKGE CC(C)(C)N1C(=O)c2ccc(/C(O)=C(\C#N)c3nc(-c4ccc(Cl)cc4Cl)cs3)cc2C1=O 1872744929 PAUXIENDPJOBQB-JZJYNLBNSA-N 498.391 6.461 50 10 JKGE C[C@H](Oc1ccc(Cl)cc1Cl)/C(O)=C(\C#N)c1nc(-c2c[nH]c3ccccc23)cs1 1872753106 HSCKKPXLIGDBPP-OBZJLHOISA-N 456.354 6.858 50 10 JKGE COc1ccc(/C(O)=C(\C#N)c2nc(-c3cc(Cl)c(OC)c(Cl)c3)cs2)cc1OC 1872756094 RFZIFHXCGSHDPV-UYRXBGFRSA-N 463.342 6.093 50 10 JKGE COc1ccc(-c2csc(/C(C#N)=C/c3ccc(OC(=O)c4ccccc4)cc3)n2)c(OC)c1 1872793838 WIXWDEZGEOKCSE-XSFVSMFZSA-N 468.534 6.111 50 10 JKGE C[C@@H]([C@@H](Br)c1cc(Br)ccc1OCc1ccccc1)C(F)(F)F 1899854026 ZKIOASJWOKITGJ-MEDUHNTESA-N 452.108 6.663 50 10 JKGE ClC[C@H](C1CC1)N(Cc1ccccc1)Cc1ccc(Cl)cc1I 1901951063 ZKMGQRUNNMYGQT-LJQANCHMSA-N 460.186 5.964 50 10 JKGE C[C@@H](Cl)c1nc2c(Br)cc(F)cc2n1C[C@@H]1CCN(Cc2ccccc2)C1 1912662709 BMEFNVACWHQRRV-GDBMZVCRSA-N 450.783 5.760 50 10 JKGE Cc1sc(Br)cc1S(=O)(=O)N(Cc1ccccc1)[C@H](CCl)C(C)C 1915276754 TZMSLCXRKNUXBU-OAHLLOKOSA-N 450.851 5.273 50 10 JKGE COCc1cc(Br)c([C@@H](Br)c2cc(C)c(Br)o2)s1 1917605620 ZKIFACMTPOCYSD-JTQLQIEISA-N 458.997 5.805 50 10 JKGE Cn1nc([C@@H](Br)c2c(Br)sc(Br)c2Cl)cc1Cl 1923073909 CWOCOIGRNWFNKF-ZCFIWIBFSA-N 483.838 5.798 50 10 JKGE Clc1cc([C@H](Br)c2c(Cl)sc(Cl)c2Cl)ccc1Br 1925586826 DHEBXEQZUUXFKV-QMMMGPOBSA-N 469.840 7.609 50 10 JKGE Cc1sc([C@@H](Br)c2cc(I)ccc2F)cc1Br 2003649530 LARGLVTYZWPIOJ-LBPRGKRZSA-N 489.973 6.047 50 10 JKGE FC(F)(F)CC1([C@@H](Br)c2sc(Br)cc2Br)CC1 2007728343 BITYTDPRNJVHTA-QMMMGPOBSA-N 456.947 6.442 50 10 JKGE CC(C)CC1([C@H](Cl)c2c(Br)sc(Br)c2Br)CC1 2015715644 BSSMMXAPXZOCEZ-SECBINFHSA-N 465.476 7.142 50 10 JKGE CCN(c1cccc(Br)c1CBr)C1CCN(Cc2ccccc2)CC1 2027092758 XGOQICMUCUBGFG-UHFFFAOYSA-N 466.261 5.835 50 10 JKGE CCc1cc(Br)c([C@@H](Br)c2cccc(C)c2Br)s1 2029235364 QKKJOOFJFYBQDE-ZDUSSCGKSA-N 453.037 6.628 50 10 JKGE C[C@@H]1C[C@@H](N(C)c2c(CBr)ccc(Br)c2Cl)CN1Cc1ccccc1 2037329412 SOFGUYGMCLFTBL-RHSMWYFYSA-N 486.679 6.097 50 10 JKGE C[C@]1([C@H](Br)c2cc(Br)ccc2Br)C[C@H]1C(F)(F)F 2039181060 QCFGVSZLBNSVTF-MXWKQRLJSA-N 450.918 6.236 50 10 JKGE N#CC(=Cc1ccc(OC(=O)c2ccc(Br)cc2)cc1)c1nc2ccccc2s1 2040469453 WLNKUEYWQIKZGX-UHFFFAOYSA-N 461.340 6.342 50 10 JKGE CC(C)(C)[C@H](C[C@@H](Br)c1cc(Br)sc1Br)C(F)F 2048750541 WIWANINNFDKQIU-HTQZYQBOSA-N 469.027 7.027 50 10 JKGE CC(C)(C)OC(=O)N1CCC[C@]2(CCC[C@H](CI)O2)C12CCCCC2 2083791636 QXZKAPFNEBEHEX-OXQOHEQNSA-N 463.400 5.463 50 10 JKGE Fc1cc([C@H](Cl)Cc2ccccc2I)c(F)cc1Br 2087569816 KXDODCRHJOPMPA-LLVKDONJSA-N 457.483 5.855 50 10 JKGE CC(C)Cc1ccccc1[C@H](Br)c1cc(Br)sc1Br 2089370993 AFVYYCNSNHOQCK-AWEZNQCLSA-N 467.064 6.956 50 10 JKGE FC(F)(F)c1cc(Br)cc([C@H](Br)c2sccc2Br)c1 2115772801 VQANITANBMGKMX-JTQLQIEISA-N 478.953 6.776 50 10 JKGE Cc1sc(Br)c(C(=O)N[C@@H](C)CCCCCI)c1C 2117895495 SCXWXIBVQHONNE-VIFPVBQESA-N 458.203 5.241 50 10 JKGE Cc1cc(Br)c(C)c([C@H](Br)C[C@H]2C[C@@H]2C2CC2)c1Br 2136371240 SIKMJWYJSVNYEB-YRGRVCCFSA-N 451.040 6.701 50 10 JKGE Cc1c(Br)ccc([C@@H](Br)C2CC3(CCCO3)C2)c1Br 2138872056 ITTNXALAAAQOQY-CUMGRINNSA-N 453.012 5.915 50 10 JKGE Cc1c(Br)ccc([C@H](Br)C[C@H]2C[C@H]3CC[C@H]2C3)c1Br 2138876660 RSRARIOSIWXHMC-UUIJZJDISA-N 451.040 6.782 50 10 JKGE COc1c(C)cc(Br)cc1[C@@H](Cl)c1cccc(I)c1 2141639885 ORFDSXYNSZIUIV-AWEZNQCLSA-N 451.529 5.699 50 10 JKGE BrCc1ccc(Br)cc1N1CCC[C@]2(CCCN(Cc3ccccc3)C2)C1 2163306395 KAJAWWIIZJXPHF-QHCPKHFHSA-N 492.299 6.227 50 10 JKGE CC[C@H](Br)[C@@H]1CCCCN1C(=O)c1cc(Cl)ccc1I 2170618637 ZXYFBGCQSOJDGG-JSGCOSHPSA-N 470.576 5.113 50 10 JKGE CN(C[C@H](Br)COCc1ccccc1)C(=O)c1ccc(C(F)(F)F)cc1Cl 2179257771 XDJGEXMEGBXPPE-HNNXBMFYSA-N 464.709 5.411 50 10 JKGE FC(F)(F)[C@@H]1C[C@H]1C[C@@H](Br)c1cc(I)cc2c1OCC2 2185214679 VNTDSLNKSQZCPF-XXILOJSOSA-N 461.059 5.251 50 10 JKGE Clc1ccc(C(CBr)(CBr)Cc2cc(Cl)sc2Cl)cc1 2195407118 IHHYMYFXHWIGCV-UHFFFAOYSA-N 477.476 6.979 50 10 JKGE Cc1cc(Br)c(C)c([C@@H](Br)c2cccc(Cl)c2F)c1Br 2201071215 PZKDEDHZTIWLKJ-AWEZNQCLSA-N 485.416 7.105 50 10 JKGE O=C(c1scc(Br)c1Br)N1CC[C@@H]2CC[C@@H](Br)C[C@@H]2C1 2204098519 PQFBSZLZVGBCCU-IVZWLZJFSA-N 486.067 5.299 50 10 JKGE Cc1ccc([C@H](Br)c2cc(Cl)sc2Cl)cc1I 2212993644 ZUBWWGRAUARJCX-NSHDSACASA-N 461.977 6.452 50 10 JKGE Cc1sc(Br)c(C)c1[C@@H](Br)c1cccc(I)c1 2213634202 BTZCKQIWTQZCKO-LBPRGKRZSA-N 486.010 6.216 50 10 JKGE Clc1cc(Br)c([C@@H](Cl)c2ccccc2Br)c(Cl)c1Cl 2224316897 IPLXSWQRPUDGDH-NSHDSACASA-N 463.811 7.500 50 10 JKGE Cc1cc(Br)c([C@H](Cl)c2cc(Br)n(C)n2)c(C)c1Br 2227362266 MGXKFODPDDIEME-CYBMUJFWSA-N 471.418 5.653 50 10 JKGE CC(C)(C)OC(=O)N1CCC(CI)(OC2CCC(C(F)(F)F)CC2)CC1 2231388458 CIGIRTNXOJAKCM-UHFFFAOYSA-N 491.332 5.329 50 10 JKGE COc1cc(Cl)c([C@H](Cl)c2ccc(C)c(I)c2)cc1Br 2232837027 NYIDQMHVNQEIBO-OAHLLOKOSA-N 485.974 6.352 50 10 JKGE Brc1ccccc1C[C@@H](Br)c1ccc2c(c1Br)CCO2 2238082652 QFNFCGHAPZZKBN-CQSZACIVSA-N 460.991 5.825 50 10 JKGE Brc1cc(Br)c(OC[C@H]2C[C@H]2Br)c(CNC2CCC2)c1 2240250248 SIFWGPCQVSCKSM-ZWNOBZJWSA-N 468.027 5.016 50 10 JKGE CC1CC2(C1)CC([C@@H](Br)c1c(Br)sc(Br)c1Cl)C2 2259480232 GWQXDMWLPYUEFV-OMLQMCLNSA-N 477.487 7.189 50 10 JKGE Fc1ccc([C@H](Br)c2ccc(Cl)c(I)c2)c(F)c1Cl 2268276474 VKSWWZIDUYJUJQ-LLVKDONJSA-N 477.901 6.361 50 10 JKGE COc1c(Br)cc(Cl)cc1[C@H](Br)c1nc(C)sc1Br 2277893776 KHAILTQCIZPJFZ-VIFPVBQESA-N 490.442 6.123 50 10 JKGE COc1cc(OC)c([C@H](Cl)c2cscc2OCc2ccccc2)cc1Br 2278033111 XFOXZLZKLKFGQJ-FQEVSTJZSA-N 453.785 6.435 50 10 JKGE Cc1cc(Cl)c(Cl)cc1[C@H](Br)c1cc(Br)c(Cl)cc1C 2286512188 BRWQXUVBTXLINI-OAHLLOKOSA-N 457.420 7.510 50 10 JKGE C[C@@H](Br)CN(CCC(C)(C)C)Cc1cc(Cl)ccc1I 2288146979 WFHNXBDYEIIGTI-GFCCVEGCSA-N 472.636 5.966 50 10 JKGE CC1(C)CCC(C)(C)[C@@H](Cc2ccc(Br)cc2Br)[C@H]1Br 2290338503 VHIQLJSPJKGYJN-DZGCQCFKSA-N 467.083 6.980 50 10 JKGE FC1(F)[C@H]([C@@H](Br)Cc2cc(Br)cc(Br)c2)C12CCCC2 2295341590 HIYMFNGKZBHOOG-QWHCGFSZSA-N 472.993 6.343 50 10 JKGE N#CC(C(=O)N1CCCCC1)=C1S[C@H](Cc2cc(Cl)ccc2Cl)C(=O)N1c1ccccc1 2296506728 BXIOCOIJGFEVJU-OAQYLSRUSA-N 486.424 5.432 50 10 JKGE CCCCOc1ccc(-c2nn(-c3ccccc3)cc2C=C(C#N)C(=O)NC[C@H]2CCCO2)c(C)c1 2296706848 ZKCNNZABIFVMRI-AREMUKBSSA-N 484.600 5.229 50 10 JKGE N#CC(=CNc1ccc(Cl)cc1C(F)(F)F)c1nc(-c2cccc3ccccc23)cs1 2296789919 BOADOTCRFNGKCY-UHFFFAOYSA-N 455.892 7.612 50 10 JKGE N#CC(=Cc1ccc(-c2cccc(C(F)(F)F)c2)o1)C(=O)Nc1ccc(Cl)cc1Cl 2296832342 ZRHKKIHBYIUCCO-UHFFFAOYSA-N 451.231 6.818 50 10 JKGE Cc1ccc(NC(=O)C(C#N)=C2S[C@@H](Cc3ccc(F)cc3)C(=O)N2c2ccccc2)cc1 2296834360 BFEZNVQGIZRJFL-QHCPKHFHSA-N 457.530 5.199 50 10 JKGE Brc1cc(OCc2ccccc2)ccc1[C@@H](Br)C12COCC(C1)C2 2299498168 UAXRIADSODHJSC-KHPNHKCMSA-N 452.186 5.891 50 10 JKGE CC(C)([C@H](Br)c1cc(Br)ccc1OCc1ccccc1)S(C)(=O)=O 2299534549 FEIWWJQSXXMXJF-QGZVFWFLSA-N 476.230 5.287 50 10 JKGE BrCCCCCCCOc1cc(Br)cc(I)c1 2301040510 YQHVGRGZGZSVHP-UHFFFAOYSA-N 475.990 5.778 50 10 JKGE Cc1c(Br)sc([C@@H](Br)[C@@H]2OC[C@@H]3CCC[C@@H]32)c1Br 2312254970 ZNVDUOLCVBARTK-MPKXCIJOSA-N 459.041 5.833 50 10 JKGE CCOc1cc(C=C(C#N)C(=O)Nc2cccc3ccccc23)ccc1OCc1ccc(C)cc1 2313670578 HDAMXCYGHRMBAY-UHFFFAOYSA-N 462.549 6.672 50 10 JKGE Cc1cc(C)cc(Oc2nc3c(C)cccn3c(=O)c2C=C(C#N)c2nc3ccccc3n2C)c1 2314436991 XLGVDKQMISWTHP-UHFFFAOYSA-N 461.525 5.363 50 10 JKGE Cl[C@H](Cc1ccccc1Br)c1ccc(OCc2ccccc2)cc1Br 2314499767 GRXKXIHVVTXAJK-OAQYLSRUSA-N 480.627 7.313 50 10 JKGE N#CC(=Cc1c(Oc2ccccc2F)nc2ccccn2c1=O)C(=O)Nc1cccc(C(F)(F)F)c1 2314531507 BSFODKYHBUNYJS-UHFFFAOYSA-N 494.404 5.190 50 10 JKGE CCCCOc1ccc(C=C(C#N)C(=O)Nc2nc(-c3ccc(-c4ccccc4)cc3)cs2)cc1 2314737755 QFVRRDDQFVOHGJ-UHFFFAOYSA-N 479.605 7.202 50 10 JKGE CCCCCCOc1ccc(C=C(C#N)C(=O)Nc2nc(-c3ccccc3Cl)cs2)cc1OC 2314754492 TZIUNNLFZLSOCL-UHFFFAOYSA-N 496.032 6.977 50 10 JKGE COc1ccc(CCC(=O)Oc2ccc(C=C(C#N)c3ccc(Cl)cc3)cc2OC)cc1OC 2314789555 FMICMWPISSTQOX-UHFFFAOYSA-N 477.944 5.968 50 10 JKGE Clc1ccc(-n2c(Cl)nc(Cl)c2CBr)c(Cl)c1Br 2315417030 PDLLARWZVVZKHT-UHFFFAOYSA-N 453.776 6.143 50 10 JKGE Clc1cc(I)c([C@H](Br)c2ccc3sccc3c2)s1 2316773699 AOADIXHRTLDXLX-GFCCVEGCSA-N 469.594 6.705 50 10 JKGE C[C@@H]1CC2CC([C@@H](Br)c3cc(Br)ccc3OCc3ccccc3)(C2)O1 2319568835 HGHMXGMKFKGGHI-JKBVPHPISA-N 466.213 6.422 50 10 JKGE CC(C)(C)[C@@H]1CC[C@H]1[C@@H](Cl)c1c(Br)sc(Br)c1Br 2320102874 VKAWEGMMVTZFTB-BRDIYROLSA-N 479.503 7.388 50 10 JKGE O=C(N[C@@H](CCBr)COCc1ccccc1)c1cc(F)c(Br)cc1Cl 2320356606 OLXFQCVXYZVHHW-ZDUSSCGKSA-N 493.598 5.342 50 10 JKGE N#CC(=Cc1ccc(OC(=O)c2cc(C(F)(F)F)cc(C(F)(F)F)c2)cc1)c1ccccc1F 2320506619 NJFZZKLGZPWENJ-UHFFFAOYSA-N 479.351 7.147 50 10 JKGE COc1ccccc1C(C#N)=Cc1cccc(OC(=O)CCCOc2ccc(Cl)cc2Cl)c1 2320511448 WSCLDJATOVFLAL-UHFFFAOYSA-N 482.363 6.831 50 10 JKGE Cc1nc(-c2ccc(Cl)cc2Cl)ccc1C(=O)NN=Cc1c(C)nc2scc(C)n12 2321242177 IRWVZRJXLXHFOW-UHFFFAOYSA-N 458.374 5.454 50 10 JKGE COc1cc(C=C(C#N)n2cnc3ccccc32)ccc1OCc1c(Cl)cccc1Cl 2331032844 ORDCSYKEZBKHAM-UHFFFAOYSA-N 450.325 6.452 50 10 JKGE COC(=O)c1ccccc1N1C[C@H](C(O)=C(C#N)c2nc(-c3ccccc3Cl)cs2)CC1=O 2331266972 RLVGLUWRFWEPPS-CQSZACIVSA-N 479.945 5.096 50 10 JKGE COc1cc(C=CC(O)=C(C#N)c2nc(-c3c(C)c(C)cc(C)c3C)cs2)cc(OC)c1OC 2331364689 WRUUGHGVDPUCGT-UHFFFAOYSA-N 476.598 6.576 50 10 JKGE COc1c(C)cc(Cl)cc1-c1csc(C(C#N)=C(O)COc2ccc(C)cc2C(C)(C)C)n1 2331392368 WVKYMMBMDCLKII-UHFFFAOYSA-N 483.033 7.258 50 10 JKGE COc1ccc(OC)c(CC(O)=C(C#N)c2nc(-c3ccc(OC)c4ccccc34)cs2)c1 2331405011 FJZKRIIVXULDIJ-UHFFFAOYSA-N 458.539 6.024 50 10 JKGE COc1ccc(Cl)cc1-c1csc(C(C#N)=C(O)CCCOc2cc(C)c(Cl)c(C)c2)n1 2331411003 CVCNDLMTHWXPRV-UHFFFAOYSA-N 489.424 7.394 50 10 JKGE COc1ccc(-c2csc(C(C#N)=C(O)c3cc(Cl)ccc3Cl)n2)c(OC)c1OC 2331412803 JDWFEMPDLADXNO-UHFFFAOYSA-N 463.342 6.093 50 10 JKGE CCN(Cc1ccccc1)c1ccc(C=C(C#N)c2nc(-c3cccc([N+](=O)[O-])c3)cs2)cc1 2331416074 MUACFLULLLYPEE-UHFFFAOYSA-N 466.566 6.809 50 10 JKGE CCCc1sc(Br)cc1[C@H](Br)c1cc(C)ccc1Br 2338024888 ZUXNCAPJVURTNZ-OAHLLOKOSA-N 467.064 7.018 50 10 JKGE COCc1ccc([C@@H](Br)c2cc(Br)c(C)cc2Br)s1 2342062438 YAFDSDJGEMZJQD-AWEZNQCLSA-N 469.036 6.212 50 10 JKGE Cc1ccccc1C(CBr)(CBr)Cc1nc(Br)cs1 2342922103 PXVGBTLOZBQYIO-UHFFFAOYSA-N 468.052 5.484 50 10 JKGE CC1(C)CCC(CCl)(Cc2ccc(I)c(Br)c2)CC1 2349865665 SZGFXBQJZRCMCF-UHFFFAOYSA-N 455.605 6.422 50 10 JKGE CCCc1nnsc1COc1c(Br)cc(Br)cc1CBr 2361040142 PFQDRUCKZDPVOY-UHFFFAOYSA-N 485.039 5.490 50 10 JKGE CC(C)(C)c1ccccc1[C@H](Br)c1cc(Br)ccc1OCc1ccccc1 2361177355 JKKBILLGWBRBJW-QHCPKHFHSA-N 488.263 7.810 50 10 JKGE Cn1nc(Br)c(Br)c1[C@H](Br)c1cccc2ccccc12 2364063566 KEKFJMBOXOKDAD-GFCCVEGCSA-N 458.979 5.583 50 10 JKGE CCCc1sc(Br)cc1[C@@H](Br)c1ccc(Cl)c(Cl)c1C 2364534626 OVCLVQCQHJIDPV-AWEZNQCLSA-N 457.058 7.563 50 10 JKGE COc1ccc(CCO[C@H]2CCCCC[C@@H]2I)c(Br)c1 2364694815 DYWUEEZSRCDKEA-HOTGVXAUSA-N 453.158 5.153 50 10 JKGE CCc1ccc([C@H](Br)c2ccc(Cl)cc2I)cc1CC 2365593968 XBCVRMGYSXYZAP-KRWDZBQOSA-N 463.584 6.554 50 10 JKGE COc1ccc(/C=N/NC(=O)COc2ccc(Cl)cc2Cl)cc1CN1CCCc2ccccc21 3064521 WPWROABKPHBNLE-WKULSOCRSA-N 498.410 5.484 50 10 JKGE COc1cc(/C=C(/C#N)S(=O)(=O)c2ccccc2)ccc1OCc1c(F)cccc1Cl 33378403 GPEOQGQHYBSJSK-PDGQHHTCSA-N 457.910 5.405 50 10 JKGE Cc1cc([N+](=O)[O-])ccc1-c1ccc(/C=C(/C#N)C(=O)Nc2ccc(Br)cc2F)o1 33930379 YTPZQRBRDLMCNY-LCYFTJDESA-N 470.254 5.611 50 10 JKGE CCOc1cc(/C=C2/C(=O)N(Cc3ccc(F)cc3)C(=O)C(C#N)=C2C)ccc1OCCC(C)C 38608730 PSXYRFXWCMBZBC-OEAKJJBVSA-N 476.548 5.442 50 10 JKGE CCCOc1ccccc1C(=O)Oc1ccc2c(c1)OC(N)=C(C#N)[C@@H]2c1ccc(Cl)c(Cl)c1 38656080 KVDQCYAFVDRSEL-XMMPIXPASA-N 495.362 6.220 50 10 JKGE C=CCOc1ccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4ccc(OCCCC)cc4)ccc32)cc1 38658139 WXGMHFNBZWYPQF-MUUNZHRXSA-N 496.563 5.868 50 10 JKGE CCOc1ccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4ccccc4Cl)ccc32)cc1OCC 38679037 MAPSZRLEOPSVEK-VWLOTQADSA-N 490.943 5.575 50 10 JKGE C=CCOc1ccc(C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@@H]3c2ccccc2OCCC)cc1 38681597 PLUWITJNZLJFLT-HHHXNRCGSA-N 482.536 5.478 50 10 JKGE Cc1nn(-c2ccccc2)c2c1/C(=N/NC(=O)COc1ccc(Cl)cc1Cl)CC(C)(C)C2 39853296 DBKDHQPYPSXEMS-ZXVVBBHZSA-N 471.388 5.359 50 10 JKGE O=C(NNc1ncnc(Nc2ccccc2C(F)(F)F)c1[N+](=O)[O-])c1ccc(Cl)cc1Cl 40588843 RRULUKGBJSNTBN-UHFFFAOYSA-N 487.225 5.211 50 10 JKGE Cc1c(C(=O)Nc2ccc(Cl)cc2Cl)oc2c1/C(=N/NC(=O)c1cccnc1)CCC2 40814087 OSDSQXNENAQRBL-WPWMEQJKSA-N 457.317 5.013 50 10 JKGE CCOc1ccc(C(=O)Oc2ccc(/C=N/NC(=O)c3ccc(C(C)(C)C)cc3)cc2OCC)cc1 48573625 TVRKIENJWHQGPF-NDZAJKAJSA-N 488.584 5.765 50 10 JKGE COc1cc(/C=C(\C#N)C(=O)Nc2ccc(Cl)c(Cl)c2)cc(Br)c1OC(C)=O 59117529 YPPOKLZIELDBAD-LFYBBSHMSA-N 484.133 5.235 50 10 JKGE COc1ccc(N2C(=O)[C@H](Cc3ccccc3Cl)S/C2=C(/C#N)C(=O)Nc2ccccc2)cc1 101244584 ANGVYUYBVXVSSI-HVBJHMBASA-N 489.984 5.414 50 10 JKGE COc1ccc(CN2C(=O)C(C#N)=C(C)/C(=C\c3ccc(OCc4ccc(Cl)cc4)cc3)C2=O)cc1 101340070 VMFNIXOKUXIJCS-CVKSISIWSA-N 498.966 5.720 50 10 JKGE Cc1ccc(NC(=O)/C(C#N)=C2/S[C@@H](Cc3ccccc3)C(=O)N2c2ccc(Cl)cc2)cc1 102973835 QBOUUKUTLYJESZ-GPSDDGMOSA-N 473.985 5.713 50 10 JKGE BrC[C@@H](Cc1ccc(I)cc1)c1ccc(Br)cc1 118657947 KYWARFIORZGSKK-CYBMUJFWSA-N 479.981 5.775 50 10 JKGE Cc1ccc(C[C@H](Br)c2cc(Br)c(Br)s2)cc1C 126041050 FWNARLJEBZRKAQ-NSHDSACASA-N 453.037 6.569 50 10 JKGE Cc1cc(Br)c([C@H](Cl)Cc2ccc(Cl)c(Cl)c2)cc1Br 128628017 OVPYVFYTBJNRLP-CQSZACIVSA-N 457.420 7.349 50 10 JKGE Cc1cccc(C(CBr)(CBr)Cc2cncc(Br)c2)c1 169003987 BQWSVUWVIAFPKX-UHFFFAOYSA-N 462.023 5.423 50 10 JKGE OCc1cc(C2CCCCC2)cc(SSc2cc(C3CCCCC3)cc(CO)c2O)c1O 206704324 FSQZLMLGEGYUSC-UHFFFAOYSA-N 474.688 6.977 50 10 JKGE CCCCOc1cccc(-c2nn(-c3ccccc3)cc2/C=C2\C(=O)N(CCC)C(=O)C(C#N)=C2C)c1 214219684 GFNIHYFDUZRMML-ITYLOYPMSA-N 494.595 5.720 50 10 JKGE N#C/C(=C/Nc1ccc(Oc2ccccc2)cc1)C(=O)Nc1ccccc1Sc1ccccc1 217243468 HMBRLJZODYQGMV-MRCUWXFGSA-N 463.562 7.088 50 10 JKGE Brc1cc([C@H](Br)[C@H]2[C@H]3c4ccccc4CC[C@H]32)c(Br)s1 227018709 ITXOQDMHUAKBGJ-KAOXEZKKSA-N 477.059 6.685 50 10 JKGE C[C@@H]1CCCC[C@@H]1NC(=O)[C@H](c1ccc(Cl)cc1)N(C(=O)CCl)c1ccc(F)cc1 230274954 ISPMUNQAXYZMHV-PDXHDDNESA-N 451.369 5.487 50 10 JKGE COc1cc(F)c(Br)cc1[C@@H](Br)c1ccc(Br)cc1C 234864171 XXRHIAZHKWMGHS-HNNXBMFYSA-N 466.970 6.152 50 10 JKGE CCCCOc1ccc(C=NNC(=O)c2cc(-c3ccc([C@@H](C)CC)cc3)nc3ccccc23)cc1 252623443 ORKMMMAVHJFRRW-QFIPXVFZSA-N 479.624 7.358 50 10 JKGE CCn1c(SCC(=O)NN=Cc2cccc(Oc3ccccc3)c2)nnc1-c1ccc(OC)cc1 254294877 PVSGAGGFXVIAAU-UHFFFAOYSA-N 487.585 5.008 50 10 JKGE C/C(C=NNC(=O)CSc1nnc(-c2ccc(C(C)(C)C)cc2)n1-c1ccccc1)=C\c1ccco1 254483495 JCSNZORYWFHEKJ-VFNHFJGNSA-N 499.640 6.122 50 10 JKGE CCc1ccc(C=NNC(=O)CSc2nnc(-c3ccc(C)cc3)n2-c2ccccc2)cc1 254794901 HCVLRVFCICANGL-UHFFFAOYSA-N 455.587 5.048 50 10 JKGE CCOc1cc(C=NNC(=O)C(C)(C)Oc2ccc(Cl)c(C)c2)cc(Br)c1OCC 254822933 BGNGNISXMNCKTI-UHFFFAOYSA-N 497.817 5.516 50 10 JKGE Br[C@H](c1ccc(C2CCCCC2)cc1)c1sccc1I 312405228 PQOHHFVPPCXDPI-MRXNPFEDSA-N 461.206 6.885 50 10 JKGE CCc1ccc(COc2c(Br)cc(CBr)cc2Br)nc1 379272384 MWNKEXDKGWBKGE-UHFFFAOYSA-N 463.995 5.643 50 10 JKGE Clc1ccc(Br)c(COc2c(Cl)cc(Cl)cc2CBr)c1 380503255 YALPNLHCXDGCOX-UHFFFAOYSA-N 459.392 6.883 50 10 JKGE CS(=O)(=O)c1cccc2c1nc(CCCl)n2CCCN(Cc1ccccc1)Cc1ccccc1 390513256 CRYZJNZWKNKKTR-UHFFFAOYSA-N 496.076 5.314 50 10 JKGE CC(C)(C)OC(=O)N1C[C@H](c2ccccc2CO[Si](C)(C)C(C)(C)C)Cc2ccccc21 616670232 LZFLJSCRWCQCHD-JOCHJYFZSA-N 453.699 7.290 50 10 JKGE CCC(CC)([C@@H](Br)c1cc(Br)ccc1Br)C(F)(F)F 690955599 WJMCXTLMVAFPOR-NSHDSACASA-N 466.961 7.016 50 10 JKGE C[C@@H](CBr)[C@@H]1CCCCN1Cc1cc(Cl)ccc1I 696740286 VQLGNRXXUSVZNQ-NHYWBVRUSA-N 456.593 5.330 50 10 JKGE Cn1cc([C@H](Br)c2cc(Br)ccc2Br)nc1Br 698425742 CFXDLHVICCKTOU-SNVBAGLBSA-N 487.815 5.192 50 10 JKGE CCc1nnc(CC(CBr)(CBr)c2cccc(Br)c2)s1 702680158 SAWWUTSPLOKTDG-UHFFFAOYSA-N 483.067 5.133 50 10 JKGE O=C(NC1(CBr)CCCCCC1)c1cc(Br)cc(Br)c1 713489999 KFEUYQXYAGLVMH-UHFFFAOYSA-N 468.027 5.429 50 10 JKGE FC(F)c1cscc1[C@H](Br)c1cc(Br)sc1Br 717194776 VIKYGVVJJSTFND-MRVPVSSYSA-N 466.992 6.757 50 10 JKGE C[C@H]1Cc2cc(Br)cc([C@H](Br)c3cccc(OCc4ccccc4)c3)c2O1 720046368 XBTJEOZJOLQQLQ-OYHNWAKOSA-N 488.219 6.836 50 10 JKGE Fc1cccc([C@H](Cl)c2csc3c(Br)cccc23)c1I 721697643 MNTPSTBZQPUVPK-ZDUSSCGKSA-N 481.555 6.736 50 10 JKGE Clc1ncsc1COc1c(Br)cc(Br)cc1CBr 721928675 UAGXIZJMTIQIMS-UHFFFAOYSA-N 476.415 5.795 50 10 JKGE C[C@@H]1CC(COc2c(Br)cc(CBr)cc2Br)C[C@@H](C)O1 724410838 LAPMHAWBCLFINH-NXEZZACHSA-N 471.027 5.689 50 10 JKGE CCOc1cc(/C=C(/C#N)C(=O)Nc2cccc(Cl)c2C)cc(Br)c1OCC 1083891129 FSLTUQOLVUQVLG-DHDCSXOGSA-N 463.759 5.754 50 10 JKGE CCOc1ccc([C@@H](O)CCC(=O)NN=Cc2ccc(OCc3cccc4ccccc34)cc2)cc1 1084181696 NDARDSZSHPTXFO-LJAQVGFWSA-N 482.580 5.781 50 10 JKGE Cc1ccc(Cl)cc1NC(=O)C(=O)NN=Cc1cc(C)n(-c2cccc(Cl)c2Cl)c1C 1084335147 KKMSXHFURSNBGB-UHFFFAOYSA-N 477.779 5.452 50 10 JKGE Cc1cc(/C=C(\C#N)C(=O)Nc2cccc(Cl)c2Cl)c(C)n1-c1ccccc1Br 1084611717 FVTCOXYXKGBVFQ-LFIBNONCSA-N 489.200 6.709 50 10 JKGE Cc1ccc(NC(=O)c2oc3c(c2C)C(=NNC(=O)Cc2coc4c(C)c(C)ccc24)CCC3)nc1 1772752067 TUSHGSFZAXOUPL-UHFFFAOYSA-N 484.556 5.306 50 10 JKGE N#CC1=C(N)Oc2c(c(-c3ccccc3)nn2Cc2ccc(Cl)c(Cl)c2)[C@@H]1c1cccc(O)c1 1865681776 WTXBFNJNIHCQJI-JOCHJYFZSA-N 489.362 5.829 50 10 JKGE CCCCCOc1ccc([C@@H]2C(C#N)=C(N)Oc3c2c(C(F)(F)F)nn3-c2ccc(C)cc2)cc1 1865690721 ZNLIINGCGFHUAS-OAQYLSRUSA-N 482.506 5.987 50 10 JKGE CCCCOc1ccc([C@H]2C(C#N)=C(N)Oc3c2c(C)nn3Cc2ccc(Cl)cc2)cc1OC 1865697556 WKWIXRUYKZUCJN-DEOSSOPVSA-N 478.980 5.299 50 10 JKGE Cn1cc([C@H]2C(C#N)=C(N)Oc3c2c(C(F)(F)F)nn3-c2ccc(Cl)cc2)c2ccccc21 1865698860 FAIIJTYGBZARTA-GOSISDBHSA-N 469.854 5.254 50 10 JKGE CCCc1nn(Cc2ccccc2F)c2c1[C@H](c1cc(Br)ccc1F)C(C#N)=C(N)O2 1865701651 ANFHYSUJRJDWQE-HXUWFJFHSA-N 485.332 5.143 50 10 JKGE CCCc1nn(-c2cccc(Cl)c2)c2c1[C@@H](c1ccc(Cl)c([N+](=O)[O-])c1)C(C#N)=C(N)O2 1865706160 PEHFQDPHVWXAQN-IBGZPJMESA-N 470.316 5.258 50 10 JKGE CCc1nn(-c2ccc(C)cc2)c2c1[C@H](c1ccc(N(CC)Cc3ccccc3)cc1)C(C#N)=C(N)O2 1865706746 DTTSKBLVEUILFP-MUUNZHRXSA-N 489.623 5.988 50 10 JKGE CCc1nn(-c2ccccc2)c2c1[C@H](c1ccc(N(CC)Cc3ccccc3)cc1)C(C#N)=C(N)O2 1865707434 XAAKZLQKQQJSAR-HHHXNRCGSA-N 475.596 5.679 50 10 JKGE CC[C@@H](C)N1C(=O)c2ccc(/C(O)=C(\C#N)c3nc(-c4ccc([N+](=O)[O-])cc4)cs3)cc2C1=O 1872746899 FEBPTXPOJNWYIT-IUXHBZJFSA-N 474.498 5.063 50 10 JKGE CC(C)(C)c1ccc(-c2csc(/C(C#N)=C(\O)CCc3nc4ccccc4[nH]c3=O)n2)cc1 1872750330 BTIBPGWGYPANRZ-NKFKGCMQSA-N 456.571 5.770 50 10 JKGE COCCCN1C(=O)c2ccc(/C(O)=C(\C#N)c3nc(-c4ccc(C(C)C)cc4)cs3)cc2C1=O 1872751666 ACBMSSKXOTWPGK-GYHWCHFESA-N 487.581 5.516 50 10 JKGE Cc1ccccc1OCCC/C(O)=C(\C#N)c1nc(-c2ccc(Oc3ccccc3)cc2)cs1 1872753582 DPAMUEXXQZMWKU-LCUIJRPUSA-N 468.578 7.563 50 10 JKGE CCCCc1ccc(-c2csc(/C(C#N)=C/c3ccccc3OCc3ccc(Cl)cc3)n2)cc1 1872780770 KRBQYBUQOXSZJC-KOEQRZSOSA-N 485.052 8.449 50 10 JKGE CCCCCCCOc1ccc(-c2csc(/C(C#N)=C/c3ccc(Cl)c([N+](=O)[O-])c3)n2)cc1 1872791389 HEFIRLCEIBIFHQ-XSFVSMFZSA-N 482.005 7.785 50 10 JKGE BrCCCN(Cc1ccccc1)c1ncc(Br)cc1Br 1914641448 CPSXTCOUTJPYLK-UHFFFAOYSA-N 463.011 5.398 50 10 JKGE CC(C)[C@@H](CBr)N(Cc1ccccc1)C(=O)COc1ccc(Cl)cc1Cl 1915297669 JSRVQDZFKCDVJW-GOSISDBHSA-N 459.211 5.821 50 10 JKGE O=C(NCCCN(Cc1ccccc1)Cc1ccccc1)c1ccc(-c2nc(CCl)cs2)nc1 1922308859 VWCWILBYMYZBKD-UHFFFAOYSA-N 491.060 5.766 50 10 JKGE Cc1c(Br)sc([C@@H](Br)c2ccc(OC(F)F)cc2)c1Br 1922888035 XQFQUOIFPIRZDQ-JTQLQIEISA-N 490.989 6.667 50 10 JKGE Clc1c(Br)sc(Br)c1[C@@H](Br)[C@@H]1CCCC12CC2 1923061692 MHYOHXRVIKEKDD-XPUUQOCRSA-N 463.460 6.943 50 10 JKGE CC1(C)C[C@H]1CC[C@@H](Br)c1c(Br)sc(Br)c1Cl 1923066024 KRVDFBBFDAWCHY-RNFRBKRXSA-N 465.476 7.189 50 10 JKGE C[C@@H](c1ccncc1Br)[C@H](Br)c1cccc(I)c1 1924031400 LTBIAXLBCRWHPG-XPTSAGLGSA-N 480.969 5.688 50 10 JKGE COCC1(C[C@H](Cl)c2c(Br)sc(Br)c2Br)CC1 1924604618 FMKNYBQTMCHKOA-LURJTMIESA-N 467.448 6.132 50 10 JKGE COc1cc(Cl)ccc1[C@@H](Br)c1c(Cl)sc(Br)c1Cl 1925590125 NDPKEZNFVWUBDJ-SECBINFHSA-N 465.421 6.964 50 10 JKGE Clc1ccc([C@@H](Br)c2sc(Cl)cc2Br)c(Br)c1 1948823167 LDEQFJXUYOIISJ-SNVBAGLBSA-N 479.846 7.064 50 10 JKGE CC(C)(C)OC(=O)Nc1c(Br)cc(Br)cc1[C@H](F)CBr 1951576926 OPQRFQKDVXLDDL-SNVBAGLBSA-N 475.978 5.964 50 10 JKGE CC(C)(C)OC(=O)N1CC(N(C[C@H](CBr)c2ccccc2)OCc2ccccc2)C1 1982826997 QLBQKUZEGUWGNX-NRFANRHFSA-N 475.427 5.218 50 10 JKGE Brc1ccc(C[C@@H](Br)c2cc(I)sn2)cc1 1983286912 VTZZSTOYZBFTIT-SECBINFHSA-N 472.971 5.189 50 10 JKGE CCN(C[C@](C)(CI)OCC[C@]12CCC[C@H]1C2)C(=O)OC(C)(C)C 2011684293 DUTKTBJWDIBRGA-SNRMKQJTSA-N 451.389 5.034 50 10 JKGE CCCCC[C@H](CC)O[C@@]1(CI)CCCN(C(=O)OC(C)(C)C)C1 2026329622 TTWGPQXOFYFQLX-QFBILLFUSA-N 453.405 5.567 50 10 JKGE CC(C)[C@@H]1CCC[C@@H]1[C@@H](Br)c1c(Br)sc(Br)c1Cl 2056450726 SZDWOQMWEXYBEQ-OYNCUSHFSA-N 479.503 7.435 50 10 JKGE COc1sc([C@@H](Cl)c2ccc(I)c(C)c2)cc1Br 2086020673 UBHWFBFPELUEHY-LBPRGKRZSA-N 457.558 5.760 50 10 JKGE Fc1cc(OCc2cccc(Br)c2Br)ccc1CBr 2092335147 ZGUHXCMMNAJFMV-UHFFFAOYSA-N 452.943 5.825 50 10 JKGE BrCc1c(Br)cccc1N1CC[C@H]2CCN(Cc3ccccc3)C[C@H]2C1 2092524678 SGTIXZJUVPCCHF-MOPGFXCFSA-N 478.272 5.692 50 10 JKGE Fc1cc(Cl)c(Br)cc1[C@@H](Br)c1cccc(Br)c1F 2097833312 BMTRZHOJMKVCHB-LBPRGKRZSA-N 475.352 6.628 50 10 JKGE Cc1ccc([C@H](Br)c2cc(Br)c(Cl)cc2F)cc1Br 2097836271 YLYFBERAORMOPM-AWEZNQCLSA-N 471.389 6.797 50 10 JKGE O=C(c1scc(Br)c1Br)N1CC2(CC[C@@H]1CBr)CC2 2097880103 AGNIXZHECGTHDT-MRVPVSSYSA-N 472.040 5.053 50 10 JKGE Cc1c([C@H](Br)c2cc(C3CC3)c(Br)s2)nn(C)c1Br 2111932561 KYTPIXFNWBBYCT-SNVBAGLBSA-N 469.040 5.677 50 10 JKGE CN(C(=O)c1scc(Br)c1Br)C1(CBr)CCSCC1 2114724830 LNGOXZVXYDZBAB-UHFFFAOYSA-N 492.096 5.006 50 10 JKGE CN(Cc1cc(Cl)ccc1I)[C@H]1CCCCC[C@H]1Br 2115933839 MWYVESCTFPPVMJ-HIFRSBDPSA-N 456.593 5.473 50 10 JKGE Cc1c(Br)sc([C@@H](Br)c2ccc3sncc3c2)c1Br 2120657222 NDAXWKUSVFKURM-NSHDSACASA-N 482.060 6.676 50 10 JKGE COc1ccc([C@@H](C)NCCSSCCNC(=O)OC(C)(C)C)cc1Br 2125291215 APTCVNBFTQOGSV-CYBMUJFWSA-N 465.479 5.014 50 10 JKGE Cc1c(F)ccc([C@H](Br)c2cc(Cl)ccc2I)c1C 2138889568 NEPZOZJLMWBOJN-HNNXBMFYSA-N 453.520 6.185 50 10 JKGE COc1cc(Br)c(C)cc1[C@H](Br)Cc1cccc(Br)c1 2145962731 NHRCHDDUPCBOKY-OAHLLOKOSA-N 463.007 6.207 50 10 JKGE Fc1cc(Br)c([C@H](Cl)c2c(Br)cccc2Br)c(F)c1F 2150493811 DKPIGUIYTLIBPY-LLVKDONJSA-N 493.342 6.720 50 10 JKGE Brc1ccc(Br)c([C@H](Br)c2ccc3c(c2)COCC3)c1 2152735749 VIQNDCIFAVFMQD-MRXNPFEDSA-N 460.991 5.769 50 10 JKGE Cc1ccc(Br)c(C[C@@H](CBr)Cc2ccccc2Br)n1 2169027689 PTDBVDMGZHUOFG-LBPRGKRZSA-N 462.023 5.711 50 10 JKGE COc1ccc([C@H](Br)c2cc(Br)c(Cl)s2)c(OC)c1Cl 2172569352 MBHJDBSTHNAJAE-JTQLQIEISA-N 461.002 6.319 50 10 JKGE BrC[C@@H]1CCC2(CCC2)CN1Cc1cc(Br)ccc1Br 2175146498 FGXNGTOMUHNHBT-AWEZNQCLSA-N 466.055 5.741 50 10 JKGE ClCc1nc2ncccc2n1-c1cc(Br)c(Br)c(Br)c1 2176005938 FJVBYSRBCXPZOM-UHFFFAOYSA-N 480.385 5.447 50 10 JKGE O=C(NCC[C@H]1CCCC[C@H]1Br)c1cccc(Br)c1Br 2179628715 FXZUDAQZYXYRES-ZYHUDNBSSA-N 468.027 5.285 50 10 JKGE COc1cc(C)c(Br)cc1[C@@H](Br)c1c(Br)c(C)nn1C 2192375522 QDRJVPOXXISYBR-CYBMUJFWSA-N 466.999 5.055 50 10 JKGE CCn1cc([C@H](Cl)c2c(C)c(Br)cc(C)c2Br)nc1Br 2201076767 ZBAUWMGDBIURSV-ZDUSSCGKSA-N 485.445 6.136 50 10 JKGE COc1c(C)cc(Br)cc1[C@@H](Cl)Cc1ccccc1I 2206603899 JIBOHHYYBNSCCI-AWEZNQCLSA-N 465.556 5.893 50 10 JKGE Clc1cc(CN2CC3(CCC3)CC[C@@H]2CBr)ccc1I 2208036464 NLSNZZLHDZXCIO-CYBMUJFWSA-N 468.604 5.474 50 10 JKGE Clc1cc(CC2(CBr)CC3(C2)CC32CCC2)ccc1I 2208045521 QVTFVPFGCCVFEL-UHFFFAOYSA-N 465.600 6.223 50 10 JKGE Cc1sc([C@H](Br)c2sc(Cl)cc2Br)c(Br)c1C 2215945884 IOUUUHJWGFWKDA-SECBINFHSA-N 479.484 7.089 50 10 JKGE CC(C)[C@@H](CBr)N(Cc1ccccc1)S(=O)(=O)Cc1ccc(Br)cc1 2218987083 GCVCVKUMFVPBIU-LJQANCHMSA-N 489.273 5.201 50 10 JKGE Cc1cc(Br)c([C@H](Br)[C@@H]2CCC(C)(C)C2)c(C)c1Br 2227370004 OXEQILQEASSBQQ-IAQYHMDHSA-N 453.056 7.091 50 10 JKGE O=[N+]([O-])c1ccc(C[C@@H](Br)c2csc(I)c2)c(F)c1 2229140896 OTWDJIGOJRDRAX-SNVBAGLBSA-N 456.074 5.079 50 10 JKGE CCc1nn(C)c([C@H](Br)c2sc(Br)c(C)c2Br)c1Cl 2232175829 RPSXGOFTTVYCGX-QMMMGPOBSA-N 491.474 6.015 50 10 JKGE Cc1cc(Br)c(C)c([C@@H](Br)C2CC(C(F)F)C2)c1Br 2232341327 CSDMQXYJMMQKKD-RPTIHFLNSA-N 460.982 6.556 50 10 JKGE Clc1cc(Br)c([C@H](Cl)Cc2ccc(Br)cc2)c(Cl)c1Cl 2232515307 ZUDNXUMMONKNLQ-SNVBAGLBSA-N 477.838 7.694 50 10 JKGE COc1cc(F)c([C@H](Cl)c2ccc(C)c(I)c2)cc1Br 2232833863 FQFILGNIDQNADI-OAHLLOKOSA-N 469.519 5.838 50 10 JKGE CO[C@@H]1C[C@H]([C@@H](Br)c2cc(Br)c(Br)cc2F)C12CCC2 2233975658 LJVZLVVSNSLLSO-FZQKWOKYSA-N 471.002 5.992 50 10 JKGE CCc1ccc([C@@H](Br)c2c(Br)cc(C)c(Br)c2C)cc1 2235597458 CJKYFIYDRRLVJO-QGZVFWFLSA-N 461.035 6.875 50 10 JKGE Cc1ccc(Br)cc1[C@@H](Cl)c1c(Br)cc(C)c(Br)c1C 2235603796 KUJGAIYZERSICC-MRXNPFEDSA-N 481.453 7.228 50 10 JKGE Fc1cc(F)c([C@@H](Br)c2cc(Cl)ccc2Br)c(F)c1Br 2236110827 RLAVKAHZBDRWJQ-NSHDSACASA-N 493.342 6.767 50 10 JKGE Brc1cc(Br)cc([C@@H](Br)c2ccc([C@H]3CCOC3)s2)c1 2240426720 LQBJWGJYKRWFRH-BJOHPYRUSA-N 481.047 6.261 50 10 JKGE Cc1sc([C@H](Br)c2c(Cl)cccc2Br)c(Br)c1C 2253469858 BIORJHKJPAAAMT-GFCCVEGCSA-N 473.455 7.028 50 10 JKGE Fc1cc(Br)c(F)c(Br)c1[C@H](Br)CC1(F)CCC1 2259998067 ZGAXXIRLMCREOF-SSDOTTSWSA-N 450.918 6.208 50 10 JKGE Cc1ccc([C@H](Cl)c2c(F)cccc2I)c(C)c1Br 2267662786 HNZBFGACHXHCLN-HNNXBMFYSA-N 453.520 6.138 50 10 JKGE C[C@]1(C(F)F)C[C@H]1[C@@H](Br)c1c(F)cc(Br)c(F)c1Br 2272739980 OQBKLSZTZVNDAU-HNMAKPFWSA-N 468.908 6.217 50 10 JKGE C[C@@H]1CCC[C@@H]([C@H](Br)Cc2cc(Br)cc(Br)c2)CC1 2277953277 PORLJJHFVHQFPX-AXAPSJFSSA-N 453.056 6.734 50 10 JKGE COc1cc(OC)c([C@H](Br)c2csc(Br)c2)cc1Br 2278035609 XJVFZXNFMYKGSO-CYBMUJFWSA-N 471.008 5.775 50 10 JKGE Cc1cccc([C@@H](Cl)c2cc3sc(Br)cc3s2)c1I 2278097061 RAPOAAPRKXTYCJ-CYBMUJFWSA-N 483.621 6.967 50 10 JKGE Fc1cc(Br)c(F)c(Br)c1[C@H](Br)C1CC[C@@H]2C[C@H]2CC1 2288374000 OKHBSAANHQNLGI-JRKPZEMJSA-N 472.993 6.752 50 10 JKGE Cc1ccc(C)c([C@@H](Br)c2c(F)cc(Br)c(F)c2Br)c1 2288492682 JBMMQTFLNOCTPP-CYBMUJFWSA-N 468.961 6.591 50 10 JKGE Cc1cc(C=C(C#N)C(=O)NC2CCCCC2)c(C)n1-c1ccc(OCc2ccc(C#N)cc2)cc1 2293308567 RTECQPRKORWTEX-UHFFFAOYSA-N 478.596 5.901 50 10 JKGE CCOc1cc(C=C(C#N)C(=O)Nc2cccc(Cl)c2Cl)cc(Br)c1O 2293671831 MJDGHCXIWCRNKJ-UHFFFAOYSA-N 456.123 5.406 50 10 JKGE COc1c(Br)cc(Cl)c(C)c1[C@@H](Br)c1ccccc1Br 2295359472 GYGQRBZQRDOYOR-AWEZNQCLSA-N 483.425 6.666 50 10 JKGE Cc1ccc(CCl)cc1NC(=O)c1ccc(I)c(Br)c1 2296112046 JNCVVFKOWSDRJE-UHFFFAOYSA-N 464.528 5.353 50 10 JKGE Cc1ccc(C=C(C#N)C(=O)N2N=C3C(=Cc4ccccc4)CCC[C@@H]3[C@H]2c2ccccc2)cc1 2297021083 FXTNDRZPXFXGSK-MFMCTBQISA-N 457.577 6.725 50 10 JKGE COc1cc([N+](=O)[O-])ccc1NC(=O)C(C#N)=Cc1ccc(OCc2ccccc2Cl)c(OC)c1 2297491167 KVBNJFNIWGLXGF-UHFFFAOYSA-N 493.903 5.390 50 10 JKGE CCOC(=O)c1ccc(-c2ccc(C=C(C#N)C(=O)Nc3ccc(Cl)cc3[N+](=O)[O-])o2)cc1 2297551571 SAAGHUIJAWUEOL-UHFFFAOYSA-N 465.849 5.231 50 10 JKGE N#CC(=Cc1ccc(C(=O)OCC(=O)Nc2ccc(Cl)c(Cl)c2)cc1)c1nc2ccccc2[nH]1 2297558953 RGGCHEBZNILCSG-UHFFFAOYSA-N 491.334 5.729 50 10 JKGE Cc1oc(Br)cc1[C@@H](Cl)c1ccc(OCc2ccccc2)cc1Br 2299500052 BZANIERTQKXTCA-IBGZPJMESA-N 470.588 7.020 50 10 JKGE Brc1cc(OCc2ccccc2)ccc1[C@@H](Br)[C@H]1CC12CCCC2 2299512485 ZTNSQBNJDOKHIE-UYAOXDASSA-N 450.214 7.044 50 10 JKGE O=S1(=O)CCC[C@@H]1[C@H](Br)c1cc(Br)ccc1OCc1ccccc1 2299527397 HOBGYTHHNCRYPS-QZTJIDSGSA-N 474.214 5.041 50 10 JKGE Fc1c(Br)cc(Cl)c([C@@H](Br)C2CC(Cl)C2)c1Br 2300168933 QYYSIHSWWIRYBX-UDSLYJHRSA-N 469.801 6.458 50 10 JKGE FC1(F)CCOC[C@H]1[C@@H](Br)c1sc(Cl)cc1I 2300952797 AJIWOYMGFBFVRV-YLWLKBPMSA-N 457.505 5.114 50 10 JKGE O=C(NN=C(C=Cc1ccccc1)C=Cc1ccccc1)C(O)(c1ccccc1)c1ccccc1 2313530566 OZKHMFBSDDNFGV-UHFFFAOYSA-N 458.561 5.822 50 10 JKGE CCOc1cc(C=C(C#N)C(=O)Nc2cc(Cl)ccc2Cl)ccc1OC(=O)c1ccc(C)cc1 2313630701 FCQXZZNMBATQAZ-UHFFFAOYSA-N 495.362 6.465 50 10 JKGE Cc1cccc(NC(=O)C(C#N)=Cc2cc(Br)ccc2OCc2ccccc2)c1C 2313667910 XRHMKSJOSRIHNL-UHFFFAOYSA-N 461.359 6.191 50 10 JKGE CCOc1ccc(NC(=O)C(C#N)=Cc2ccc(OCc3ccccc3Cl)c(OC)c2)cc1 2313671220 RVKNMVMLKGHOCG-UHFFFAOYSA-N 462.933 5.872 50 10 JKGE CCOc1cc(C=C(C#N)C(=O)Nc2cccc3ccccc23)cc(Br)c1OC 2313675725 NBJSZDJXGIQNSB-UHFFFAOYSA-N 451.320 5.555 50 10 JKGE Cc1c(Br)cccc1[C@@H](Cl)c1cc(Br)ccc1OCc1ccccc1 2314448470 IAAWXHWEPVAIMP-OAQYLSRUSA-N 480.627 7.427 50 10 JKGE CCCN[C@@H](c1ccc(OCc2ccccc2)cc1Br)[C@H]1C[C@@H](Br)C1 2314452823 QRWLOWNRIUFZFF-LLGFUMIMSA-N 467.245 6.242 50 10 JKGE Brc1ccc(OCc2ccccc2)c([C@H](Br)[C@@H]2CC23CCCCC3)c1 2314499228 AHGSHYLSDLFVBF-FPOVZHCZSA-N 464.241 7.435 50 10 JKGE C=CCNC(=O)C(C#N)=C1S[C@H](Cc2ccc(C)c(C)c2)C(=O)N1c1ccc(C(C)C)cc1 2314592818 CDTLYKIAEUYASA-XMMPIXPASA-N 459.615 5.155 50 10 JKGE C=CCN1C(=O)C(=Cc2cn(-c3ccccc3)nc2C23CC4CC(CC(C4)C2)C3)C(C)=C(C#N)C1=O 2314617230 UDHZVUBVISVJKL-UHFFFAOYSA-N 478.596 5.118 50 10 JKGE CC1([C@H](Br)c2sc(Cl)cc2I)CCCCCCC1 2316780926 VJKIOSLJRFGAJU-CYBMUJFWSA-N 461.634 7.193 50 10 JKGE Clc1ccc([C@H](Br)c2cc3sccc3s2)c(I)c1 2317773326 KLVFQBVSWBAEJK-ZDUSSCGKSA-N 469.594 6.705 50 10 JKGE CCCOc1ccc(-c2csc(NC(=O)C(C#N)=Cc3ccc(OC)cc3)c2C(=O)OCC)cc1 2329622384 ZBTBLOVBWAVAPI-UHFFFAOYSA-N 490.581 5.935 50 10 JKGE Cc1c(C(O)=C(C#N)c2nc(-c3ccc(Cl)cc3Cl)cs2)cc([N+](=O)[O-])cc1[N+](=O)[O-] 2331254439 LHDQUAVUOOMAEU-UHFFFAOYSA-N 477.285 6.192 50 10 JKGE N#CC(=C(O)c1ccc2c(c1)C(=O)N(Cc1ccco1)C2=O)c1nc(-c2ccccc2Cl)cs1 2331273444 HJUAFTZHXVFQHF-UHFFFAOYSA-N 487.924 5.803 50 10 JKGE CCOc1ccc(OCC)c(-c2csc(C(C#N)=C(O)COc3ccccc3CC)n2)c1 2331376759 RCLNYYIIOCAERG-UHFFFAOYSA-N 450.560 6.042 50 10 JKGE COc1cc(OC)c(-c2csc(C(C#N)=C(O)[C@@H](C)Oc3ccc(C(C)C)cc3)n2)cc1Cl 2331378658 MRBWHYGTPUPRCF-OAHLLOKOSA-N 485.005 6.864 50 10 JKGE CCCCCOc1c(Br)cc(C=C(C#N)c2nc(C(C)(C)C)cs2)cc1OC 2331442538 FYDVIAKPACVHEY-UHFFFAOYSA-N 463.441 6.845 50 10 JKGE COc1cc(C)c(-c2csc(C(C#N)=Cc3cccc(OCc4ccccc4)c3)n2)cc1C(C)C 2331464329 ZZLUATBYUDAGCI-UHFFFAOYSA-N 480.633 7.894 50 10 JKGE Cc1cc(Br)c([C@H](Br)[C@H]2CC[C@@H]3C[C@@H]3C2)c(C)c1Br 2333708790 OZNSXCBUQVQUCQ-AZKPJATDSA-N 451.040 6.701 50 10 JKGE FC(F)(F)c1cscc1[C@H](Cl)c1ccc(OCc2ccccc2)cc1Br 2336082798 DJFNKDJHOPYYRH-GOSISDBHSA-N 461.730 7.437 50 10 JKGE C[C@@H]1C[C@@H]([C@H](Br)c2c(Cl)cc(Br)c(F)c2Br)CCO1 2337085912 FOKGNUXFWYQYOG-BUYFANAVSA-N 479.409 6.255 50 10 JKGE CCCC[C@H](CC)[C@H](Br)c1c(Cl)cc(Br)c(F)c1Br 2337092989 ZBIISPFLHDOTLU-UFBFGSQYSA-N 479.453 7.657 50 10 JKGE Cc1nc(Br)c([C@@H](Br)c2cc3sc(Br)cc3s2)n1C 2337284286 ZIOVRDQZQRFTON-JTQLQIEISA-N 485.064 6.014 50 10 JKGE CCCc1sc(Br)cc1[C@H](Br)c1ccc(Br)cc1Cl 2338022996 BLHDXRWJMWKHSN-CQSZACIVSA-N 487.482 7.363 50 10 JKGE Cc1cc(Br)c(F)c(Br)c1[C@H](Br)[C@H]1CCOC[C@@H]1C 2339673405 ALKHYYPJGNXMKZ-HOTUBEGUSA-N 458.991 5.768 50 10 JKGE FCCOc1ccccc1[C@H](Br)c1cc(Br)ccc1OCc1ccccc1 2361197670 JRAWQJYZSYKYSB-QFIPXVFZSA-N 494.198 6.861 50 10 JKGE CCCc1sc(Br)cc1[C@@H](Cl)c1cc(Br)c(F)cc1Cl 2363258244 JCZKMGCMWSSORF-AWEZNQCLSA-N 461.021 7.346 50 10 JKGE CCCc1sc(Br)cc1[C@@H](Br)c1ccc(OC)c(Br)c1 2363261786 DUDCMPGLOZCPBE-HNNXBMFYSA-N 483.063 6.719 50 10 JKGE COc1cc([C@@H](Br)c2ccc(OC)c(Cl)c2Br)sc1Cl 2365839615 BYMRJPIGDIRYLV-JTQLQIEISA-N 461.002 6.319 50 10 JKGE CCCc1sc(Br)cc1[C@@H](Br)c1c(Cl)cc(C)cc1Cl 2381301122 FLHMTWQOQFPNKK-OAHLLOKOSA-N 457.058 7.563 50 10 JKGE COc1ccc(/C=N/NC(=O)c2ccccc2Cl)cc1COc1ccc(C(=O)OCC(C)C)cc1 3584863 DEYJKOKJJRHUPM-WKULSOCRSA-N 494.975 5.504 50 10 JKGE CCc1ccc([C@@H]2C(C#N)=C(N)N(c3ccc(C)c(Cl)c3)C3=C2C(=O)CC(C)(C)C3)s1 6284036 YRTNHDIVQRDQCP-QFIPXVFZSA-N 452.023 6.213 50 10 JKGE Cc1cc(SCC(=O)N/N=C2\C[C@H](c3ccccc3)Oc3ccccc32)c(C)cc1Br 12564123 FAYLRPLVHQHGHI-QIBQIDICSA-N 495.442 6.202 50 10 JKGE C[C@H](Oc1ccc(Cl)cc1Br)C(=O)NNC(=O)c1sc2ccccc2c1Cl 14644279 APAOQYPDPGCGHF-VIFPVBQESA-N 488.190 5.199 50 10 JKGE CC[C@@H]1CCc2sc(C(=O)NN/C=C3\C(=O)N(c4ccc(C)cc4)C(=O)c4ccccc43)cc2C1 18151997 KTRYOSUEEYONML-MPGAHLTBSA-N 485.609 5.034 50 10 JKGE Cc1c(Cl)cccc1NC(=O)/C(C#N)=C\c1cc(C)n(-c2sc3c(c2C#N)CCCC3)c1C 33345041 ZYQUOACVAUHFBY-UNOMPAQXSA-N 475.017 6.414 50 10 JKGE CC(C)(C)c1ccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)Cc4ccc(Cl)cc4)ccc32)cc1 38649881 STNMREYRHVZSNF-AREMUKBSSA-N 472.972 6.004 50 10 JKGE CCCOc1cccc(C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@@H]3c2cccc(OCCC)c2)c1 38684471 MIFBVJUAFNWYRU-HHHXNRCGSA-N 484.552 5.702 50 10 JKGE COc1ccc(CC(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@@H]3c2cccc(OCCC(C)C)c2)cc1 38684740 KUUDAAXCSYFCCY-GDLZYMKVSA-N 498.579 5.486 50 10 JKGE Cc1ccc(COc2ccc([C@@H]3C(C#N)=C(N)Oc4cc(OC(=O)c5cccs5)ccc43)cc2)cc1 38686292 UKWTWWPOSLTDGB-MHZLTWQESA-N 494.572 6.073 50 10 JKGE COc1ccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4oc5ccc(C)cc5c4C)ccc32)c(OC)c1 38688470 XAURYRRQIJIJKA-SANMLTNESA-N 496.519 5.504 50 10 JKGE CCCCOc1cccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4oc5ccccc5c4C)ccc32)c1 38701252 UUZFWUSTWSOOMO-MHZLTWQESA-N 494.547 6.358 50 10 JKGE O=C(NNc1ncnc(Nc2cc(C(F)(F)F)ccc2Cl)c1[N+](=O)[O-])c1cccc(Cl)c1 40583290 LYJDQIHMOZSVPU-UHFFFAOYSA-N 487.225 5.211 50 10 JKGE CCCCc1ccc(NC(=O)c2oc3c(c2C)/C(=N/NC(=O)c2cccc([N+](=O)[O-])c2)CCC3)cc1 40812990 BRPYMRBGQCOTDN-QUPMIFSKSA-N 488.544 5.562 50 10 JKGE Cc1cc(C)cc(OC(=O)c2oc3c(c2C)/C(=N/NC(=O)c2ccc(Cl)c([N+](=O)[O-])c2)CCC3)c1 40813421 UUYWEHAXYCSOEZ-ZXVVBBHZSA-N 495.919 5.456 50 10 JKGE CCOc1ccc([C@H](O)CCC(=O)N/N=C/c2ccc(-c3ccc(Cl)c(Cl)c3)o2)cc1 58892754 CODKZLGVOUJWRH-ODDBZWQPSA-N 461.345 5.616 50 10 JKGE COc1ccc(C(=O)Oc2ccc(/C=C(/C#N)C(=O)Nc3cccc(Cl)c3)cc2OC)cc1 59117101 NXRVIKSTPFPXKG-PDGQHHTCSA-N 462.889 5.122 50 10 JKGE CCOc1ccc(/C=N/NC(=O)c2ccc(-n3c(C)ccc3-c3ccccc3)cc2)c(OCC)c1 59305128 JOJRZSCZEDMPQT-TWKHWXDSSA-N 467.569 6.014 50 10 JKGE Cc1cc(/C=N/NC(=O)c2cc3cc(Br)ccc3o2)c(C)n1-c1cccc(F)c1 59680053 GKBJYQGNGJZJQE-BRJLIKDPSA-N 454.299 5.506 50 10 JKGE CCCCC1CCC(C(=O)Nc2ccc(C(=O)[C@@H](Br)CC)cc2OCC)CC1 71432450 NMNWWWMTGFOJPY-TVPLGVNVSA-N 452.433 6.377 50 10 JKGE N#C/C(=C(/O)c1ccc(S(=O)(=O)N2CCCC2)cc1)c1nc2cc(C(F)(F)F)ccc2s1 101018186 LEBYBFAVLKBSBP-MNDPQUGUSA-N 479.505 5.049 50 10 JKGE CCc1ccc(N2C(=O)[C@H](Cc3ccc(C)cc3)S/C2=C(/C#N)C(=O)Nc2ccc(C)cc2)cc1 101245896 UPIHKHMETNXNLT-HFVAWESISA-N 481.621 5.931 50 10 JKGE CCOc1ccc(-c2nn(-c3ccccc3)cc2/C=C2/C(=O)N([C@H](C)CC)C(=O)C(C#N)=C2C)cc1 101334061 TYYKIRDQZFBOLM-DUYBAWCLSA-N 480.568 5.329 50 10 JKGE O=c1[nH]c2cc(Br)c([C@H](Br)c3cc(Br)ccc3F)cc2[nH]1 109884384 BDJYVXJNBJQETA-ZDUSSCGKSA-N 478.941 5.005 50 10 JKGE COc1ccc([C@@H](Br)c2csc(I)c2)c(OC)c1Cl 224664781 AXILNKFNNFWVSC-NSHDSACASA-N 473.557 5.508 50 10 JKGE CC(C)[C@H]1CC[C@@H](C)C[C@@H]1O[C@@H](CI)c1ccc(Br)cc1 228847104 XPKWGWWEJZPSTQ-ZSGPHXLJSA-N 465.213 6.403 50 10 JKGE CCOc1ccc([C@@H](Cl)c2ccc(I)c(Cl)c2)cc1Br 232345317 SJMCJTYOMLWJOQ-OAHLLOKOSA-N 485.974 6.434 50 10 JKGE C[C@H]1Cc2cc([C@H](Cl)c3cc(I)ccc3Br)ccc2O1 235690842 DNHFAOYCDVFGPM-FVMDXXJSSA-N 463.540 5.705 50 10 JKGE Cc1cccc([C@H](Br)Cc2nc3ccccc3s2)c1I 236009639 AUTMELKRICTCKH-GFCCVEGCSA-N 458.162 5.888 50 10 JKGE O=C(NN=Cc1cn(-c2ccccc2)nc1-c1ccc(F)cc1)c1ccn(Cc2ccc(Cl)cc2)n1 252627308 RRIXXPXXJXECBV-UHFFFAOYSA-N 498.949 5.341 50 10 JKGE Cc1cc(Cl)ccc1NCc1nnc(S[C@H](C)C(=O)NN=Cc2ccco2)n1-c1ccccc1 254870240 RFKMKUDHYSOPBG-QGZVFWFLSA-N 495.008 5.065 50 10 JKGE O=C(CCC(=O)Nc1ccc(Cl)cc1Cl)NN=C(/C=C\c1ccccc1)c1ccccc1 254906658 WPPPNSVDZXBBGK-DVWVYWRRSA-N 466.368 5.946 50 10 JKGE Clc1ccc(Br)cc1[C@@H](Br)c1cc2c(cc1Br)OCC2 308408929 ANQAABIMYDYOEH-HNNXBMFYSA-N 481.409 6.284 50 10 JKGE Clc1cc(COc2c(Br)cc(CBr)cc2Br)cs1 379042348 DCUJRHAYIXQTGL-UHFFFAOYSA-N 475.427 6.400 50 10 JKGE Cc1cc(F)c([C@@H](Br)c2ccc(Br)cc2Br)cc1Cl 395556272 DOUVMRMWLRNREA-AWEZNQCLSA-N 471.389 6.797 50 10 JKGE C[C@H](Cl)c1nc2cc(I)ccc2n1C[C@@]1(C)CCCN1Cc1ccccc1 398080691 RRQPYUGFINNWOS-KSFYIVLOSA-N 493.820 5.995 50 10 JKGE Fc1cc(Br)c([C@H](Cl)c2cc(Br)sc2Br)c(F)c1F 398534530 UAOYYJLYOFNEQR-MRVPVSSYSA-N 499.371 6.781 50 10 JKGE Clc1cc([C@@H](Br)Cc2ccccc2Br)c(Cl)c(Cl)c1Cl 692465586 WOIMGDANZMMYFY-JTQLQIEISA-N 477.838 7.741 50 10 JKGE C[C@@H]1CCCN(C(=O)c2cc(Br)cc(Br)c2)[C@H]1CCBr 697202306 XOGCPDLCKYHNSE-YGRLFVJLSA-N 468.027 5.237 50 10 JKGE Brc1scnc1[C@@H](Br)c1csc2c(Br)cccc12 698646783 BEOTYKKSMFEHKL-VIFPVBQESA-N 468.033 6.367 50 10 JKGE CC1(C)C[C@H](Br)C[C@@H](NC(=O)c2scc(Br)c2Br)C1 705448374 QEFDHLLRMAINMC-HTQZYQBOSA-N 474.056 5.345 50 10 JKGE C[C@@H](COCc1ccccc1)CC(CBr)(CBr)c1ccccc1F 719444706 WQKWMHGEPLJRHC-MRXNPFEDSA-N 458.209 6.096 50 10 JKGE CCOc1cc(C=NNC(=O)CC[C@H](O)c2ccccc2)ccc1OCc1cccc2ccccc12 1084032880 SPZCOFPFLXQUQZ-MHZLTWQESA-N 482.580 5.781 50 10 JKGE COc1cc(C=NNC(=O)c2cccc(Cl)c2)ccc1OCc1ccc(Cl)c(Cl)c1 1084093080 QFADUWPOERLRSU-UHFFFAOYSA-N 463.748 5.998 50 10 JKGE O=C(CCCSc1nc2ccc([N+](=O)[O-])cc2s1)NN=C(c1ccccc1)c1cccs1 1084145475 JGCSOXBZHWYVLH-UHFFFAOYSA-N 482.612 5.707 50 10 JKGE O=C(OCc1ccccc1)N1C[C@H](c2cccc(OC(F)(F)F)c2)[C@@H](CBr)C1 1614689516 BFCBIVVAZRXGQR-FUHWJXTLSA-N 458.274 5.332 50 10 JKGE Cc1ccc(CNC(=O)c2oc3c(c2C)C(=NNC(=O)c2ccc(Cl)cc2Cl)CCC3)cc1 1772746921 BKXNZPCEZHCJFN-UHFFFAOYSA-N 484.383 5.604 50 10 JKGE O=C(COc1cc(Cl)ccc1Cl)NN=C1C(=O)N(Cc2ccccc2Cl)c2ccccc21 1772752436 LZEVPVLSQPWUBW-UHFFFAOYSA-N 488.758 5.093 50 10 JKGE Cc1ccc([C@@H]2C(C#N)=C(N)Oc3c2c(C(F)(F)F)nn3Cc2c(F)cccc2Cl)cc1 1865685346 HGPAGPVBDOUBAB-QGZVFWFLSA-N 462.834 5.269 50 10 JKGE CCCCCOc1ccc([C@@H]2C(C#N)=C(N)Oc3c2c(CC)nn3-c2ccc(Cl)cc2)cc1OC 1865696469 NLQZSDRLUYMSDL-XMMPIXPASA-N 493.007 5.884 50 10 JKGE CCCCOc1ccc([C@@H]2C(C#N)=C(N)Oc3c2c(C)nn3-c2cccc3ccccc23)cc1OC 1865696788 KLFFLNBXYOKXCJ-HHHXNRCGSA-N 480.568 5.740 50 10 JKGE CCCCOc1ccc([C@@H]2C(C#N)=C(N)Oc3c2c(CC)nn3Cc2ccc(F)cc2)cc1OC 1865697125 NMEJPWVMQLZRTD-XMMPIXPASA-N 476.552 5.039 50 10 JKGE CCCc1nn(-c2ccc(Cl)c(Cl)c2)c2c1[C@@H](c1ccccc1C(=O)O)C(C#N)=C(N)O2 1865704572 YXHIOSWHXFDEIS-IBGZPJMESA-N 469.328 5.048 50 10 JKGE COc1ccc(-c2nn(Cc3ccc(F)cc3)c3c2[C@H](c2cccc(C)c2)C(C#N)=C(N)O3)cc1 1865711223 SREDOTCLZBSXPA-XMMPIXPASA-N 466.516 5.273 50 10 JKGE COc1ccc(-c2nn(-c3ccccc3Cl)c3c2[C@@H](c2cccc(OC)c2)C(C#N)=C(N)O3)cc1 1865711761 HPDJEIHVQMVEOW-QHCPKHFHSA-N 484.943 5.428 50 10 JKGE N#CSc1ccc(Nc2cc(N3CCC[C@H](Oc4ccccc4)C3)nc(-c3ccc(F)cc3)n2)cc1 1868456078 JEEYBGAFQMOEIA-DEOSSOPVSA-N 497.599 6.647 50 10 JKGE CCCCCCCOc1ccc(-c2csc(/C(C#N)=C(\O)Cc3ccc(C)c(C)c3)n2)cc1 1872753192 LGYLDJBRMVEHHV-RFBIWTDZSA-N 460.643 7.812 50 10 JKGE COc1c(Cl)cc(Cl)cc1-c1csc(/C(C#N)=C(\O)Cc2ccc(Cl)cc2)n1 1872754473 USHRPTUDHOZVQS-SDXDJHTJSA-N 451.762 6.814 50 10 JKGE COc1ccc(-c2csc(/C(C#N)=C(\O)[C@H](C)Oc3ccccc3C(C)C)n2)c(OC)c1 1872755245 DYVJDULUURGYOL-GFDWPABASA-N 450.560 6.211 50 10 JKGE COc1c(Cl)cc(-c2csc(/C(C#N)=C(\O)c3cccc(OCC(C)C)c3)n2)cc1Cl 1872755994 PLZBCXBCLCPFAP-FXBPSFAMSA-N 475.397 7.110 50 10 JKGE CC(C)(C)c1ccc(-c2csc(/C(C#N)=C/c3ccc(OCc4ccccc4)cc3)n2)cc1 1872792306 QYEURRVOKWHUJH-JJIBRWJFSA-N 450.607 7.751 50 10 JKGE CC(C)C[C@H](NC(=O)OC(C)(C)C)C(=O)N/N=C/c1ccccc1OCc1ccccc1Cl 1873794801 BIUOJBUYFDHLSZ-NQLRXCNRSA-N 474.001 5.309 50 10 JKGE Cc1cc(-c2csc(/C(C#N)=C(\O)c3ccccc3I)n2)ccc1F 1873920235 AONWJTOIOIYBPF-JXAWBTAJSA-N 462.287 5.812 50 10 JKGE O=S(=O)(c1ccc(Cl)c(Br)c1)N(Cc1ccccc1)[C@@H](CCl)C1CC1 1915143266 MDKFFNKWAGSMAX-SFHVURJKSA-N 463.224 5.311 50 10 JKGE Cc1c(Br)sc([C@H](Cl)c2ccsc2Br)c1Br 1922881893 FISMRJWIXBHSPA-SSDOTTSWSA-N 465.457 6.734 50 10 JKGE Cc1cc([C@@H](Cl)c2c(Br)sc(Br)c2Cl)oc1Br 1923067053 YBJQGSHFNKPYIX-ZCFIWIBFSA-N 483.834 6.919 50 10 JKGE Cc1nscc1[C@@H](Br)c1c(Br)sc(Br)c1Cl 1923072607 QKIAMESSTYKHIM-ZCFIWIBFSA-N 466.445 6.176 50 10 JKGE CC(C)C[C@H](C)[C@H](Cl)c1c(Br)sc(Br)c1Br 1924612481 MFCMQIKGOCRLJV-RCOVLWMOSA-N 453.465 6.998 50 10 JKGE Cl[C@H](c1c(Br)sc(Br)c1Br)C12CCC(CC1)CC2 1924614502 YVCVQVPUMUSAMG-OILJVLCYSA-N 477.487 7.286 50 10 JKGE Cl[C@@H](c1c(Br)sc(Br)c1Br)[C@@H]1CC[C@@H]2C[C@@H]2C1 1924614669 PZPUOCMOBXXHGB-DAGMQNCNSA-N 463.460 6.752 50 10 JKGE Cc1csc([C@H](Br)c2c(Cl)sc(Br)c2Cl)c1Cl 1925572333 ZHVPFJCKYXHOAU-RXMQYKEDSA-N 455.451 7.325 50 10 JKGE O=C(N[C@H](CBr)CC1CCCCC1)c1cc(Br)c(Br)s1 1926774520 CVFZEZIEEIBHQW-JTQLQIEISA-N 488.083 5.737 50 10 JKGE CC[C@@H](Br)CN(Cc1ccccc1)C(=O)c1c(Cl)cccc1Br 1980599237 DSQXZSBIXRKANT-CQSZACIVSA-N 459.609 5.918 50 10 JKGE FC1(F)CCC([C@@H](Br)c2sc(Br)cc2Br)CC1 2008370889 OGOBWDCPCJEDRO-SECBINFHSA-N 452.984 6.535 50 10 JKGE CCc1sc(Br)cc1[C@@H](Br)c1ccc(F)cc1Br 2030222568 QRKNWCDBMPPKIY-ZDUSSCGKSA-N 457.000 6.459 50 10 JKGE Brc1cccc([C@H](Br)c2ccc(C3CC3)s2)c1Br 2031481389 GIMHRBVWSISMGF-AWEZNQCLSA-N 451.021 6.635 50 10 JKGE Cc1cc(Br)c(CBr)c(N(C)[C@H]2C[C@H](C)N(Cc3ccccc3)C2)c1 2053206893 VLFFUAZRXYIJAB-WMZOPIPTSA-N 466.261 5.752 50 10 JKGE Fc1cc(Br)c([C@@H](Br)c2ccsc2Br)c(F)c1Cl 2081837509 AXYKIRWPSWAWSV-QMMMGPOBSA-N 481.381 6.689 50 10 JKGE Clc1cccc([C@@H](CBr)Cc2c(Br)cccc2Br)c1 2094095379 LMYZVSCTVBGWCO-LLVKDONJSA-N 467.426 6.586 50 10 JKGE Clc1c(Br)ccc(CBr)c1N1CC[C@H]2CC[C@@H](C1)N2Cc1ccccc1 2098110848 OTMDLNKNGXTWRV-MSOLQXFVSA-N 498.690 6.241 50 10 JKGE CCCCCCCCCC[C@H](Br)c1cc(Br)sc1Br 2108243207 JEMKVNAEVCMKJG-ZDUSSCGKSA-N 475.128 8.240 50 10 JKGE Clc1c(Br)sc(Br)c1[C@@H](Br)[C@@H]1CCn2nccc2C1 2108964241 BSZFBLNIBPLERJ-MUWHJKNJSA-N 489.458 5.822 50 10 JKGE Brc1cc([C@H](Br)[C@H]2CC3(CCCCC3)CO2)sc1Br 2109978156 CRVSQRRNYJDCDE-ZYHUDNBSSA-N 473.068 6.449 50 10 JKGE Cc1ccc(Br)c(F)c1C[C@@H](Br)c1ccc(Br)cc1 2113488015 YIVCTRNKEULBBY-CQSZACIVSA-N 450.971 6.338 50 10 JKGE Clc1sc([C@@H](Br)c2cc3c(cc2Br)OCC3)cc1Br 2115930502 NTDBKLSHEGBPGE-LBPRGKRZSA-N 487.438 6.346 50 10 JKGE Clc1ccc(I)c(CN2C[C@H](Br)CCC23CCC3)c1 2117886241 HHRSNJHGAPWXHH-GFCCVEGCSA-N 454.577 5.227 50 10 JKGE Brc1cccc(Br)c1CN1CC2(CCC(Br)CC2)C1 2124675619 UXNQRKMRYQCICD-UHFFFAOYSA-N 452.028 5.351 50 10 JKGE CC(F)(F)c1ccc([C@H](Br)c2sc(Br)cc2Br)cc1 2128389043 BDGDFQDMIPZNDN-NSHDSACASA-N 474.990 6.869 50 10 JKGE FCCOc1cccc([C@H](Br)c2cc(Br)sc2Br)c1 2132980647 FBYSBRCFXIXHAY-LBPRGKRZSA-N 472.999 6.106 50 10 JKGE CCC[C@@H]1CN(Cc2cccc(Br)c2Br)C[C@H]1CBr 2140782801 CYXLMKMVSYGKIY-DGCLKSJQSA-N 454.044 5.455 50 10 JKGE O=C(NC1(CBr)CCCCCCC1)c1csc(Br)c1Br 2150345781 XHVILJIOBHDTDW-UHFFFAOYSA-N 488.083 5.881 50 10 JKGE O=C(c1cc(Br)c(Br)s1)N1CCC2(CCC2)[C@@H](CBr)C1 2151649829 BFGHKDDQCNKWJP-VIFPVBQESA-N 486.067 5.300 50 10 JKGE Clc1c(Br)ccc(CBr)c1N1Cc2cccc(Br)c2C1 2154365241 MQQCWQBPAXSJBC-UHFFFAOYSA-N 480.425 6.280 50 10 JKGE O=C(c1c(Br)cccc1Br)N1C[C@H](Br)CCC12CCC2 2174538694 WSJOIGYFHHTHJC-SNVBAGLBSA-N 466.011 5.134 50 10 JKGE Cc1c(Br)sc([C@@H](Cl)c2cc3c(C)nn(C)c3s2)c1Br 2175242550 DIHLZJAUGGNBEF-JTQLQIEISA-N 454.640 6.166 50 10 JKGE O=C(c1cc(Br)sc1Br)N1C[C@@]2(F)CCC[C@@]2(CBr)C1 2176631469 ZMLUHMWWUZLSQL-OLZOCXBDSA-N 490.030 5.002 50 10 JKGE C[C@H](c1cccs1)N(Cc1ccccc1)S(=O)(=O)c1cc(CBr)ccc1Cl 2179786907 HQJMQHFXUSWWOE-OAHLLOKOSA-N 484.868 6.249 50 10 JKGE CC1(C)CC([C@@H](Br)c2cc(Br)ccc2Br)CC(C)(C)C1 2193418887 GONDIRRDKGNUAM-OAHLLOKOSA-N 467.083 7.500 50 10 JKGE CCc1occ(C)c1[C@@H](Br)c1c(C)c(Br)cc(C)c1Br 2201066998 GWILNAYPDQCHDZ-MRXNPFEDSA-N 465.023 6.777 50 10 JKGE Cc1cc(Br)c(C)c([C@@H](Br)[C@@]23CC[C@@H](C2)[C@H](C)O3)c1Br 2201072220 UOYOWCOSKJZOLM-DPDCMNJDSA-N 467.039 6.222 50 10 JKGE COc1c(C)cc(Br)cc1[C@H](Br)c1cccc(C)c1Br 2206598007 ICTHMKBRHJCYRR-OAHLLOKOSA-N 463.007 6.321 50 10 JKGE C[C@@H]1C[C@H](Br)C[C@@H](c2sc(Br)c(Br)c2Br)C1 2212200178 KCOSNPQHIHMNKK-ACZMJKKPSA-N 495.900 6.703 50 10 JKGE Cc1sc([C@H](Cl)c2sc(Br)cc2Br)c(Br)c1C 2215946118 KQHITZCDINNATM-SECBINFHSA-N 479.484 7.042 50 10 JKGE COc1ccc([C@@H](Br)c2sc(Cl)cc2Br)c(Br)c1 2223964251 RDSZRAKRZOWWTB-LLVKDONJSA-N 475.427 6.419 50 10 JKGE ClCCc1nc2cc(Br)ccc2n1C[C@H]1CC1(Br)Br 2224804233 JDZUFYXAEVJSKR-MRVPVSSYSA-N 471.418 5.086 50 10 JKGE Fc1cc(Br)c(Br)cc1[C@H](Br)c1c(F)cccc1Cl 2225615968 BSJPZVIWJJMMFL-ZDUSSCGKSA-N 475.352 6.628 50 10 JKGE Fc1cc(Cl)ccc1[C@H](Br)c1cc(Br)c(Br)cc1F 2225618699 ZQRNZEYMSJSYEP-ZDUSSCGKSA-N 475.352 6.628 50 10 JKGE Cl[C@@H](c1ccc2c(c1Br)CCO2)c1scc(Br)c1Br 2229740491 ZJCKDMASTXXRRI-LBPRGKRZSA-N 487.438 6.299 50 10 JKGE Cc1ccc([C@H](C)[C@@H](Br)c2sc(Br)c(C)c2Br)cc1 2232081424 JCNGLXSBAWVKPA-JOYOIKCWSA-N 467.064 7.130 50 10 JKGE COc1cc(F)ccc1[C@H](Br)c1ccc(Br)c(C)c1Br 2233959864 VCZHAFJEXKEKCX-HNNXBMFYSA-N 466.970 6.152 50 10 JKGE Cc1cc(Br)c([C@@H](Br)C2CCCCCCC2)c(C)c1Br 2235602756 FFQRQFQZDIGSGE-KRWDZBQOSA-N 467.083 7.625 50 10 JKGE C[C@@H](CBr)N(Cc1ccccc1)C(=O)c1cc(Br)c(F)cc1Cl 2244182662 OXYSNUPLFPTJBE-NSHDSACASA-N 463.572 5.667 50 10 JKGE Cc1cc(Br)c([C@H](Br)C2CC3(CC(F)C3)C2)cc1Br 2272086838 FLAHDIOKVUUIOA-GPNNKKOCSA-N 455.003 6.484 50 10 JKGE Cc1c(Br)ccc([C@H](Br)[C@]23CCCC[C@H]2CC3)c1Br 2273343769 OYWGDVCKRWBSNP-UVBJJODRSA-N 451.040 6.926 50 10 JKGE Brc1cc(Br)cc(C[C@H](Br)[C@@H]2C[C@H]2C2CCCC2)c1 2277952673 HZISKRWPWGCANH-XHSDSOJGSA-N 451.040 6.344 50 10 JKGE Cc1cc(Br)c([C@H](Br)c2cccc(Br)c2F)c(C)c1F 2279146411 JIRGURYAMFDLQH-CYBMUJFWSA-N 468.961 6.591 50 10 JKGE CCc1ccc(CC)c([C@@H](Br)c2ccc(Cl)c(I)c2)c1 2283573960 MGYOBBSABMQILZ-KRWDZBQOSA-N 463.584 6.554 50 10 JKGE COc1cc(Cl)c([C@H](Cl)c2ccc(Cl)c(I)c2)cc1Cl 2283575686 XDKWCZUTQQXINI-CQSZACIVSA-N 461.941 6.588 50 10 JKGE Cc1cc(I)ccc1-n1c(CCl)nc2cc(Br)ccc21 2283581294 KQMHOQXCKMTRIY-UHFFFAOYSA-N 461.528 5.440 50 10 JKGE Fc1cc(Br)c(F)c(Br)c1[C@@H](Br)Cc1ccc(Cl)cc1 2288350197 XOCGIAASIICOHW-VIFPVBQESA-N 489.379 6.822 50 10 JKGE COc1ccccc1C=CC=NNC(=O)CSc1nnc(SCc2ccc(C)cc2)s1 2293707237 HYVKXMGKIVEUTB-UHFFFAOYSA-N 470.645 5.055 50 10 JKGE N#CC(=Cc1c[nH]nc1-c1ccc(Br)cc1)C(=O)Nc1cccc(C(F)(F)F)c1 2295326916 FOAUPOBEZSLNDP-UHFFFAOYSA-N 461.241 5.404 50 10 JKGE N#CC(=Cc1ccc(COc2ccc(Br)cc2)o1)C(=O)Nc1sccc1C#N 2295669920 LFQTXAJBCQQZIB-UHFFFAOYSA-N 454.305 5.100 50 10 JKGE CCOC(=O)c1c(NC=C(C#N)c2nc(-c3ccc([N+](=O)[O-])cc3)cs2)sc2c1CCC2 2297368666 ZNQGDXIQLJYSPD-UHFFFAOYSA-N 466.544 5.422 50 10 JKGE FC1(F)[C@H]([C@@H](Br)c2cc(Br)ccc2OCc2ccccc2)C12CC2 2299503382 FGJBRSPVYLSCLC-DLBZAZTESA-N 458.140 6.509 50 10 JKGE Cc1csc([C@H](Br)c2cc(Br)ccc2OCc2ccccc2)c1C 2299529029 XRPQSOXAZXVQMT-LJQANCHMSA-N 466.238 7.191 50 10 JKGE C[C@@H](C(F)F)[C@H](Br)c1c(Cl)cc(Br)c(F)c1Br 2300174361 PMCOFRHHSXLIJC-NFNCENRGSA-N 459.325 6.341 50 10 JKGE O=C(N[C@H](CCCl)COCc1ccccc1)c1cc(Br)cc(Br)c1 2303707575 XISVXBOPIOPQCV-QGZVFWFLSA-N 475.608 5.156 50 10 JKGE CC1(C)C[C@@H](Cc2ccc(I)c(Br)c2)[C@H](Br)C1 2306199962 RTDDKEAXQIFDHL-ZYHUDNBSSA-N 472.002 5.796 50 10 JKGE COc1cc(C=C(C#N)C(=O)Nc2cc(Cl)ccc2C)ccc1OCc1ccc(F)cc1 2313730254 KSGIEHJHXWGEEB-UHFFFAOYSA-N 450.897 5.921 50 10 JKGE Brc1cc(OCc2ccccc2)ccc1[C@@H](Br)C1(CC2CC2)CCC1 2314448202 FXUPRVLHJUXTDW-OAQYLSRUSA-N 464.241 7.435 50 10 JKGE Brc1ccc(OCc2ccccc2)c([C@@H](Br)[C@@H]2C[C@@H]3CC[C@H](C2)O3)c1 2314487885 HRCODKDMSXIQGB-DKXUYOFUSA-N 466.213 6.422 50 10 JKGE COc1cc(C=C(C#N)c2nc(-c3cccs3)cs2)ccc1OCC(=O)Nc1nccs1 2314519273 HEWXAOBYHUNXOS-UHFFFAOYSA-N 480.596 5.418 50 10 JKGE Cc1ccc(C[C@H]2SC(=C(C#N)C(=O)NCc3ccco3)N(c3ccc(C)c(C)c3)C2=O)cc1C 2314593847 UUBNATAATRPZLI-RUZDIDTESA-N 485.609 5.256 50 10 JKGE COc1cc(C=C2C(=O)N(C3CCCCC3)C(=O)C(C#N)=C2C)ccc1OCc1ccccc1F 2314617076 QGAUDBMTQIZVSR-UHFFFAOYSA-N 474.532 5.338 50 10 JKGE CCCCOc1ccc(-c2nn(-c3ccccc3)cc2C=C2C(=O)N(CC)C(=O)C(C#N)=C2C)cc1 2314617605 JPZIBFZRNZXTEF-UHFFFAOYSA-N 480.568 5.330 50 10 JKGE Cc1nc(-c2ccc(F)cc2)ccc1C(=O)NNC(=O)C=Cc1ccc(OCc2ccccc2)cc1 2321157712 LAGXFAFRSJSMOX-UHFFFAOYSA-N 481.527 5.250 50 10 JKGE N#CC(=Cc1ccc(Br)cc1)C(=O)N1CCC(c2cccc(C(F)(F)F)c2)CC1 2324505548 FFSJIWWQGCXJGV-UHFFFAOYSA-N 463.297 5.781 50 10 JKGE CC[C@H](C)[C@H](NC(=O)OC(C)(C)C)C(=O)NN=Cc1ccc(OCc2ccccc2Cl)cc1 2328795072 GKWBWNKRLGEJRE-JTSKRJEESA-N 474.001 5.309 50 10 JKGE COc1cc(C=C(C#N)c2ccc(C(=O)OC(C)C)o2)ccc1OCc1ccc(C(C)(C)C)cc1 2331049771 SMMUHEFXDGEDID-UHFFFAOYSA-N 473.569 6.794 50 10 JKGE CCOc1cc(C(O)=C(C#N)c2nc(-c3ccc(F)cc3F)cs2)cc(OCC)c1OCC 2331286918 ZEQMMSIBNASGSG-UHFFFAOYSA-N 472.513 6.234 50 10 JKGE CCOc1ccc(-c2csc(C(C#N)=C(O)COc3cccc(C)c3C)n2)c(OCC)c1 2331386612 SBXKZXKQDBBNRY-UHFFFAOYSA-N 450.560 6.096 50 10 JKGE Cc1ccc(C(C)(C)C)cc1-c1csc(C(C#N)=C(O)[C@H](C)Oc2ccc(Cl)cc2)n1 2331397183 RBPLKJLHHHRMCN-INIZCTEOSA-N 453.007 7.330 50 10 JKGE CC(C)(C)N1C(=O)c2ccc(C(O)=C(C#N)c3nc(-c4cc(Cl)ccc4Cl)cs3)cc2C1=O 2331403773 DZLORYSZLRITMH-UHFFFAOYSA-N 498.391 6.461 50 10 JKGE N#CC(=Cc1ccc(OCc2ccccc2Cl)cc1)c1nc(-c2ccc(F)cc2F)cs1 2331437692 CZAYRBYHURDHPZ-UHFFFAOYSA-N 464.924 7.385 50 10 JKGE COc1cccc(C=C(C#N)c2nc(-c3c(C)cc(C)cc3C)cs2)c1OCc1cccc(C)c1 2331478578 MSLSJJPQWIQWJT-UHFFFAOYSA-N 480.633 7.696 50 10 JKGE COc1ccc(Cl)cc1-c1csc(C(C#N)=Cc2ccc(OCc3ccc(C)cc3)cc2)n1 2331491957 ZTDUHQWQHBDOCJ-UHFFFAOYSA-N 472.997 7.424 50 10 JKGE Cc1cc(I)c(Oc2cc(Br)ccc2CCl)cc1Cl 2336544759 ZBGRGTBRRWQBRN-UHFFFAOYSA-N 471.947 6.547 50 10 JKGE Cc1cc(I)c(O[C@H]2C[C@H](Br)C23CCCC3)cc1Cl 2336557282 WSBJWGYUAIGLRK-KBPBESRZSA-N 455.561 5.728 50 10 JKGE C=CC[C@@]1(CBr)CCN(Cc2ccc(Cl)c(I)c2)C1 2337221397 OFIHNCRXBZHWOD-HNNXBMFYSA-N 454.577 5.108 50 10 JKGE Cc1c(Br)sc([C@H](Br)[C@H]2COC3(CCC3)CO2)c1Br 2338814817 VBRDHODZRMNUBE-PSASIEDQSA-N 475.040 5.356 50 10 JKGE Cc1cc(Br)c(F)c(Br)c1[C@@H](Br)[C@@H]1CCC12CCC2 2339685320 SFAQSUGLAUPLJM-CABZTGNLSA-N 455.003 6.675 50 10 JKGE FC1(F)C2(CC2)C12CC([C@@H](Cl)c1ccc(OCc3ccccc3)cc1Br)C2 2361172384 OPPABZZYEFLJDI-QOSBUDKSSA-N 453.754 7.134 50 10 JKGE Cc1c(F)cccc1[C@@H](Br)c1c(Cl)cc(Br)c(F)c1Br 2362221047 UOWNKXXNOBVCDX-GFCCVEGCSA-N 489.379 6.936 50 10 JKGE Clc1ccc([C@H](Br)c2ccc(-c3cccs3)s2)c(I)c1 2365596001 PYUXKIJLHQXMCT-HNNXBMFYSA-N 495.632 7.219 50 10 JKGE Clc1ccc([C@@H](Br)c2ccc(-c3cccs3)s2)c(I)c1 2365596002 PYUXKIJLHQXMCT-OAHLLOKOSA-N 495.632 7.219 50 10 JKGE Clc1ccc(CN2[C@@H](CBr)C[C@H]3CCCC[C@H]32)c(I)c1 2366715856 SKRRFQLARJBFGB-DJSGYFEHSA-N 468.604 5.473 50 10 JKGE Cc1c(CBr)ccc(NC(=O)c2cc(Br)sc2Br)c1C 2368017762 ONMYBIPBKRZMKG-UHFFFAOYSA-N 482.035 6.037 50 10 JKGE N#C/C(C(=O)NCCc1ccccc1)=C1\S[C@@H](Cc2ccc(Cl)cc2)C(=O)N1c1ccccc1 2269222 YVVWARJMHCRGNS-BSSRNLCFSA-N 488.012 5.125 50 10 JKGE C/C(=N/NC(=O)c1cc(-c2ccncc2)nc2ccccc12)c1cc(Cl)cc(Cl)c1O 12525037 KAKUMHFFOQXHID-QDTIIGTASA-N 451.313 5.463 50 10 JKGE Cc1ccc(CN2c3ccccc3C3=C([C@@H](c4ccccc4Cl)C(C#N)=C(N)O3)S2(=O)=O)cc1 20558590 RSVXNHISTDKMAU-QHCPKHFHSA-N 489.984 5.175 50 10 JKGE N#C/C(=C/c1cn(-c2ccccc2)nc1-c1ccccc1)C(=O)Nc1sc2c(c1C(N)=O)CCCC2 35484938 LVSFOCFZPYLSAK-CYVLTUHYSA-N 493.592 5.124 50 10 JKGE N#CC1=C(N)Oc2cc(OC(=O)c3cccc4ccccc34)ccc2[C@@H]1c1ccc(Cl)c(Cl)c1 38655945 BIYZKVBHZIVVIL-VWLOTQADSA-N 487.342 6.584 50 10 JKGE CCc1ccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4ccc(OCC(C)C)cc4)ccc32)cc1 38677301 LJVUZZZDQGUCNR-HHHXNRCGSA-N 468.553 5.721 50 10 JKGE CCCCC1CCC(C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@@H]3c2cccc(Cl)c2)CC1 38687731 MJEFSNSEWWIYCB-ZQYQLRQTSA-N 464.993 6.460 50 10 JKGE Cc1ccc2c(Cl)c(C(=O)Oc3ccc4c(c3)OC(N)=C(C#N)[C@@H]4c3ccco3)sc2c1 38688473 DNQZWISXJHPYBR-HXUWFJFHSA-N 462.914 5.894 50 10 JKGE O=C(CSc1c(Cl)c(Cl)c(Cl)c(Cl)c1Cl)N/N=C/c1ccc(C(=O)O)cc1 59146917 PXLZFJJVTZRADQ-RREIPUBJSA-N 486.591 5.894 50 10 JKGE Cc1cc([N+](=O)[O-])ccc1N/C=C(/C#N)c1nc(-c2cc3cc([N+](=O)[O-])ccc3oc2=O)cs1 100108600 ATHRGALHMOWCQM-UVTDQMKNSA-N 475.442 5.018 50 10 JKGE CCOC(=O)c1c(N/C=C(\C#N)c2nc(-c3ccc(Cl)cc3Cl)cs2)sc(C)c1C 102924714 JMXFGQVOIVNTBP-UKTHLTGXSA-N 478.426 6.949 50 10 JKGE N#C/C(=C/Nc1ccc(Oc2ccccc2)cc1)c1nc(-c2ccc(Br)cc2)cs1 102937579 LOZSPMZCAYUGEK-SDXDJHTJSA-N 474.383 7.341 50 10 JKGE C[C@H]([C@H]1CCC[C@H]1P(c1ccccc1)c1ccccc1)N(C)P(c1ccccc1)c1ccccc1 108794734 XTEZRKIYDYCSEW-RJHDZTQMSA-N 495.587 6.656 50 10 JKGE COc1ccc([C@@H](Br)c2ccccc2I)c(Br)c1 109877120 ADJPSOBWNUSIEF-CQSZACIVSA-N 481.953 5.547 50 10 JKGE Fc1cccc(C(CBr)(CBr)Cc2sccc2Br)c1 118671323 HOTUKURXLLFXQW-UHFFFAOYSA-N 471.027 5.920 50 10 JKGE Fc1ccc(Cl)cc1[C@H](Br)c1cc(Br)c(Br)s1 128221551 NMPJOIZZDYBZHQ-JTQLQIEISA-N 463.391 6.550 50 10 JKGE Cc1cc(Br)c([C@@H](Br)c2cccc(Cl)c2)cc1Br 128741737 NLBKHVBEYGKDQG-AWEZNQCLSA-N 453.399 6.658 50 10 JKGE C[Si](C)(C)c1ccc(P(c2ccc([Si](C)(C)C)cc2)c2ccc([Si](C)(C)C)cc2)cc1 195755392 JBGZDPADFXLUTA-UHFFFAOYSA-N 478.841 5.080 50 10 JKGE CCOC(=O)/C(C#N)=C/c1cccc(OC(=O)/C=C\c2ccc(OCc3ccccc3)c(OC)c2)c1 206688033 OLRYCKIIOAAAFM-CMEWWFFFSA-N 483.520 5.363 50 10 JKGE CC(C)Cc1ccc([C@H](Br)c2cc(Br)sc2Br)cc1 232619073 NYWISVOISMLIHU-AWEZNQCLSA-N 467.064 6.956 50 10 JKGE Clc1ccccc1C[C@@H](Cl)c1cc(I)ccc1Br 236031010 DVXUGXDGUGJJBJ-CQSZACIVSA-N 455.948 6.230 50 10 JKGE Clc1ccc([C@H](Cl)c2csc3c(Br)cccc23)cc1Br 236033455 SJNNIRGVBAKOEY-AWEZNQCLSA-N 451.010 7.408 50 10 JKGE COc1ccc(OC)c(-c2cc(C(=O)NN=Cc3ccc(Cl)s3)c3ccccc3n2)c1 252621545 NBAYXFSHWBRAIR-UHFFFAOYSA-N 451.935 5.398 50 10 JKGE CCCCCCCOc1ccc(C=NNC(=O)c2ccccc2NC(=O)c2ccccc2C)cc1 254700557 GCUZKDNDZSUQHC-UHFFFAOYSA-N 471.601 6.360 50 10 JKGE CCc1cc(C)sc1[C@H](Br)c1ccc(I)c(Cl)c1 310867869 STUNNJNKGOHQCC-CYBMUJFWSA-N 455.586 6.361 50 10 JKGE Cc1cc(C)c([C@@H](Br)c2ccc(Br)cc2Cl)c(C)c1Br 380047302 PNHNBPHAKLLUHZ-INIZCTEOSA-N 481.453 7.275 50 10 JKGE FC1(F)CCC[C@@H]1CC(CBr)(CBr)c1ccc(Br)cc1 400599036 DQSCGRRXDAUZOV-GFCCVEGCSA-N 475.009 6.302 50 10 JKGE O=C(NC[C@@H]1CCCC[C@@H]1CBr)c1scc(Br)c1Br 707805692 IGDLMRJXNSDLLG-BDAKNGLRSA-N 474.056 5.204 50 10 JKGE Fc1cc([C@@H](Cl)c2cccc(F)c2I)c(F)cc1Br 721693153 SYUFSXKKNGHXQH-LBPRGKRZSA-N 461.446 5.799 50 10 JKGE Cc1sc([C@@H](Cl)c2scc(Br)c2Br)c(C)c1Br 724913966 INEQHCWXWSAVFW-SECBINFHSA-N 479.484 7.042 50 10 JKGE N#C/C(=C/c1cn(Cc2ccccc2)c2ccc(Br)cc12)C(=O)NCc1cccs1 1084178107 PWYMUVXXIAYXIR-WQRHYEAKSA-N 476.399 5.737 50 10 JKGE COc1ccc(Cl)cc1-n1c(C)cc(C=NNC(=O)c2ccccc2Br)c1C 1084487319 XDZDNQRNOOXTBF-UHFFFAOYSA-N 460.759 5.283 50 10 JKGE Cc1ccc(C)c(NC(=O)/C(C#N)=C\c2ccccc2OCc2ccc(Br)cc2)c1 1084493533 QRGCXDBIHCQIRM-STZFKDTASA-N 461.359 6.191 50 10 JKGE Cc1cc(C=NNC(=O)[C@@H](C)Sc2ccc(Cl)cc2)c(C)n1-c1cccc(Br)c1 1084507715 SXHDFLNTMYHDQH-MRXNPFEDSA-N 490.854 6.141 50 10 JKGE O=C(CSc1nc2ccccc2s1)NN=Cc1cccc(OCc2cccc3ccccc23)c1 1084612984 DGOBSMVKNVYKBV-UHFFFAOYSA-N 483.618 6.271 50 10 JKGE O=C(OCc1ccccc1)N1C[C@@H](CI)[C@@H](c2ccccc2C(F)(F)F)C1 1614702644 KKLZHXIJPIPEIW-WBVHZDCISA-N 489.275 5.493 50 10 JKGE CCOc1ccc(NC(=O)c2oc3c(c2C)C(=NNC(=O)c2ccc(Cl)cc2)CCC3)cc1 1772744379 WMLCWXLUALRHSB-UHFFFAOYSA-N 465.937 5.363 50 10 JKGE CCCCOc1ccc(C=NNC(=O)CCCOc2ccc(C)cc2Br)cc1OC 1772755509 KBNFVXKNNMOGLD-UHFFFAOYSA-N 477.399 5.254 50 10 JKGE N#CC1=C(N)Oc2c(c(-c3ccccc3)nn2Cc2c(F)cccc2Cl)[C@H]1c1ccc(Cl)cc1 1865683111 GBTGMQGWQUDIDB-QFIPXVFZSA-N 491.353 6.262 50 10 JKGE CCCOc1c(OC)cccc1[C@H]1C(C#N)=C(N)Oc2c1c(-c1ccccc1)nn2-c1ccc(C)cc1 1865693884 RKIHPQIOPXAIFC-VWLOTQADSA-N 492.579 5.863 50 10 JKGE CCCc1nn(CCC)c2c1[C@@H](c1ccc(OCc3ccc(Cl)cc3)cc1)C(C#N)=C(N)O2 1865695806 UBUSXMOQYOMXQD-QHCPKHFHSA-N 462.981 5.696 50 10 JKGE CCCCOc1ccc([C@H]2C(C#N)=C(N)Oc3c2c(CC)nn3Cc2cccc(Cl)c2)cc1OC 1865695963 AWFSKDINTPBESW-DEOSSOPVSA-N 493.007 5.553 50 10 JKGE COC(=O)c1ccc([C@H]2C(C#N)=C(N)Oc3c2c(-c2ccccc2)nn3Cc2cc(C)ccc2C)cc1 1865709107 NUQRXXHLZVUJEQ-VWLOTQADSA-N 490.563 5.220 50 10 JKGE N#CC1=C(N)Oc2c(c(-c3ccccc3)nn2-c2ccccc2Cl)[C@@H]1c1ccc([N+](=O)[O-])cc1 1865712797 IEUPXRGLZDTCAX-OAQYLSRUSA-N 469.888 5.319 50 10 JKGE COc1cc(/C=C(\C#N)c2nc3ccc(C)cc3[nH]2)ccc1OC(=O)c1ccc(Cl)cc1Cl 1872728099 NPYHGAABOXHNGG-MHWRWJLKSA-N 478.335 6.470 50 10 JKGE N#C/C(=C(/O)CCCCCNC(=O)c1ccccc1)c1nc(-c2ccc3ccccc3c2)cs1 1872745527 RIYKSMUMDTZWFA-LCUIJRPUSA-N 467.594 6.746 50 10 JKGE COc1ccc(OC/C(O)=C(\C#N)c2nc(-c3cccc4ccccc34)cs2)c(C(C)(C)C)c1 1872751984 JTJHNENLVMCUKB-LVWGJNHUSA-N 470.594 7.141 50 10 JKGE CCCOc1c(Br)cc(/C=C(\C#N)c2nc(-c3ccc(Cl)cc3)cs2)cc1OC 1872790268 WIBUAFCBWSDZFM-CXUHLZMHSA-N 489.822 7.088 50 10 JKGE C[C@@H]1C[C@H]1CC[C@@H](Br)c1c(Br)sc(Br)c1Cl 1897160858 AABLHMOHTNJKLF-FSDSQADBSA-N 451.449 6.799 50 10 JKGE CCCC(CBr)(CCC)Cn1ccnc1CCCN1C(=O)c2ccccc2C1=O 1913026064 OERZBYCNRBBFKY-UHFFFAOYSA-N 460.416 5.093 50 10 JKGE O=C(c1ccc(Br)cc1Br)N(Cc1ccccc1)[C@@H](CCl)C1CC1 1915158407 CFCFYGFBPWFJGM-SFHVURJKSA-N 471.620 5.871 50 10 JKGE Clc1c(Br)sc(Br)c1[C@H](Cl)[C@@H]1CCC[C@@H]2CCCC[C@H]21 1923067433 CJQUGQHPGYWPNV-BTQIBKBOSA-N 461.090 7.813 50 10 JKGE CC(C)([C@@H]1CCCO1)[C@@H](Cl)c1c(Br)sc(Br)c1Br 1924616935 VLBGDEOPAJSZDW-RCOVLWMOSA-N 481.475 6.521 50 10 JKGE Clc1sc(Br)c(Cl)c1[C@H](Cl)c1cccc(I)c1 1925568782 MLGQIECIZNHHHJ-MRVPVSSYSA-N 482.395 6.750 50 10 JKGE C[C@H]1C[C@H](N(C)c2ccc(CBr)cc2Br)CN1Cc1ccccc1 1949205355 RSEICOLSWNSYQU-YJBOKZPZSA-N 452.234 5.443 50 10 JKGE Clc1cccc([C@H](CI)OCCOCCOCc2ccccc2)c1 2007814392 PEQIQQMXEUDKKT-IBGZPJMESA-N 460.739 5.066 50 10 JKGE CCc1cc(Br)c([C@H](Br)c2ccc(Br)c(Cl)c2)s1 2029232001 BVEQULDQJWRXMX-GFCCVEGCSA-N 473.455 6.973 50 10 JKGE CCc1sc(Br)cc1[C@@H](Cl)c1cc(Cl)ccc1I 2030220963 NJTSMRXPSFUUTP-ZDUSSCGKSA-N 476.004 6.659 50 10 JKGE Cl[C@H](c1cc(C2CC2)c(Br)s1)c1ccccc1I 2033635689 SMQIINBKGXAGJR-ZDUSSCGKSA-N 453.570 6.321 50 10 JKGE Clc1c(Br)sc(Br)c1[C@@H](Br)[C@@H]1CCCCC12CC2 2053372872 ZEGUXLICOLVVNG-CBAPKCEASA-N 477.487 7.333 50 10 JKGE Cc1c(Br)ccc([C@H](Br)c2cccc(Cl)c2)c1Br 2083336548 BBFPQMHKFUHVGR-CQSZACIVSA-N 453.399 6.658 50 10 JKGE COc1ccc([C@@H](Cl)Cc2ccccc2I)cc1Br 2087569291 FMJBKXZSRFHYBP-ZDUSSCGKSA-N 451.529 5.585 50 10 JKGE Clc1cc([C@@H](Br)c2ccc(CC3CC3)s2)ccc1I 2087639093 AROWXEVHRORNIM-OAHLLOKOSA-N 467.597 6.443 50 10 JKGE Cl[C@H](c1cc(Br)c2c(c1)CCO2)c1cc(Br)c(Br)s1 2090468090 SZLANIYMMHHERR-LLVKDONJSA-N 487.438 6.299 50 10 JKGE Cc1nc([C@@H](Br)c2cc(Br)cc3c2OCC3)c(Br)s1 2113186258 ZRLQPUKXJNMCQB-JTQLQIEISA-N 468.008 5.396 50 10 JKGE Fc1ccc(I)cc1[C@H](Cl)c1cc(Cl)c(Br)cc1F 2113358614 SCNRQYNSOIIGOV-ZDUSSCGKSA-N 477.901 6.314 50 10 JKGE CCc1cc([C@@H](Br)c2scc(Br)c2Br)c(F)cc1F 2118736067 IZXXAYGPJRLAHJ-LLVKDONJSA-N 474.990 6.598 50 10 JKGE O=C(NC12CCC(CBr)(CC1)C2)c1csc(Br)c1Br 2132786027 IMBINSWQQMLYTQ-UHFFFAOYSA-N 472.040 5.101 50 10 JKGE BrCc1cc(Br)c(OC[C@@H]2C[C@@H]2C2CCC2)c(Br)c1 2135244300 DUIBFGBLIIXGNS-NWDGAFQWSA-N 453.012 5.922 50 10 JKGE COc1c(Cl)cc(Br)cc1[C@H](Br)c1cc(Br)oc1C 2138248304 ZBVCCQMUKDGWGA-GFCCVEGCSA-N 473.386 6.259 50 10 JKGE Cc1c(Br)ccc([C@@H](Br)c2ccc(Cl)c(Cl)c2)c1Br 2138852043 MHUSVPYEFKJBMT-AWEZNQCLSA-N 487.844 7.311 50 10 JKGE COc1c(Br)cc(C)cc1[C@@H](Br)c1nc(C)sc1Br 2138999294 OWEDVKOJXAFCAT-SNVBAGLBSA-N 470.024 5.778 50 10 JKGE Fc1ccc(CBr)c(OCc2ccc(Br)cc2Br)c1 2139771766 FMWBNGXXCRPGSH-UHFFFAOYSA-N 452.943 5.825 50 10 JKGE Fc1ccccc1C(CBr)(CBr)Cc1cc(Br)sn1 2139779344 HXCBCHOWNUVNRM-UHFFFAOYSA-N 472.015 5.315 50 10 JKGE C[C@H](CC(CBr)(CBr)c1ccccc1Br)P(C)(C)=O 2139865713 HDPYLZAUBSJHIE-LLVKDONJSA-N 474.999 5.878 50 10 JKGE Fc1ccc(C[C@H](Cl)c2ccc(Br)cc2I)c(F)c1 2142279052 LIZKZXRWLUXVCN-LBPRGKRZSA-N 457.483 5.855 50 10 JKGE C[C@H]1CN(Cc2ccccc2)C[C@@H]1n1c(CCCl)nc2cc(Br)c(Cl)cc21 2159886455 UETYWSVTGQPLRP-XOBRGWDASA-N 467.238 5.927 50 10 JKGE O=C(NC[C@H]1CCCC[C@H](Br)C1)c1cc(Br)cc(Br)c1 2163745047 DHAFIMIZJQUBSG-JQWIXIFHSA-N 468.027 5.285 50 10 JKGE O=C(c1cc(Br)sc1Br)N1CC[C@](CBr)(C(F)(F)F)C1 2167681685 WOHBOTFUAOVNSM-SNVBAGLBSA-N 499.972 5.063 50 10 JKGE C[C@H](Br)C[C@@H]1CCCCCN1Cc1cc(Br)ccc1Br 2175153863 BUOAAAMQERUNIW-WFASDCNBSA-N 468.071 6.130 50 10 JKGE Cc1cc(Br)c(C)c([C@H](Br)[C@H]2CC23CCCCC3)c1Br 2201069483 CXQNQSVKAFNYOR-MLGOLLRUSA-N 465.067 7.235 50 10 JKGE CCC[C@@H]1CN(C(=O)c2cc(Br)ccc2Br)C[C@@H]1CBr 2205703167 MELKCJQBCBMSRN-MNOVXSKESA-N 468.027 5.095 50 10 JKGE Cc1cc([C@@H](Br)c2cc(F)c(F)c(F)c2F)ccc1I 2207104522 RNVRVPBGFZTMMO-LLVKDONJSA-N 459.018 5.640 50 10 JKGE Clc1cc(Br)ccc1C[C@@H](Cl)c1csc(I)c1 2215863262 PRDQPSRIUKIWIL-SNVBAGLBSA-N 461.977 6.291 50 10 JKGE BrCC(CBr)(Cc1ncsc1Br)c1ccccc1 2219010917 MELSHSNNTSKBSE-UHFFFAOYSA-N 454.025 5.176 50 10 JKGE COc1cc(Br)c([C@@H](Br)c2cc(Br)cs2)cc1C 2220445334 KNSYOSPKJZJOKA-CYBMUJFWSA-N 455.009 6.074 50 10 JKGE Cc1cc(Br)c([C@H](Br)c2cc(Br)c(Cl)cc2F)s1 2221843895 RKPRGPGJULRDFC-LLVKDONJSA-N 477.418 6.858 50 10 JKGE CC1(C)CCC[C@@H]([C@@H](Br)c2cc(Br)c(Br)cc2F)C1 2225618255 YLBLBYHDDOLEMH-YMTOWFKASA-N 457.019 7.003 50 10 JKGE Cc1cc(Br)cc([C@@H](Cl)c2cc(Br)c(Br)cc2F)c1 2225632237 AWBRTSHOXZOGOC-CQSZACIVSA-N 471.389 6.750 50 10 JKGE Cc1cc(Br)c([C@H](Br)CC2CCCCC2)c(C)c1Br 2227349027 QGVNLXWYACTAAO-CQSZACIVSA-N 453.056 7.235 50 10 JKGE CCc1sc(Br)cc1[C@@H](Br)Cc1ccc(Br)cc1Cl 2229146812 CFRBCXZUFVIZNA-NSHDSACASA-N 487.482 7.168 50 10 JKGE CC1([C@@H](Br)c2cc(Br)c(Br)s2)CC2(CC(F)(F)C2)C1 2230657158 YDWNAPQAEDRQCY-VIFPVBQESA-N 479.022 6.925 50 10 JKGE Fc1cc(Br)c(Br)cc1[C@H](Br)[C@@H]1C[C@H]2COC[C@H](C2)C1 2233981599 KPYSBBVHWZCWTB-TURATIMXSA-N 471.002 5.849 50 10 JKGE Clc1ccc([C@H](Cl)c2cc(Cl)c(Br)s2)cc1I 2248214779 LGXUJGBQQFNEQO-JTQLQIEISA-N 482.395 6.750 50 10 JKGE COc1ccc([C@H](Br)c2cc(Br)cs2)cc1I 2248882393 HWVNMMKVSQQDGT-LBPRGKRZSA-N 487.982 5.608 50 10 JKGE CCc1cc([C@@H](Br)c2nn(CC)cc2Br)sc1Br 2255977256 XFUMNIHNIAESCP-SNVBAGLBSA-N 457.029 5.536 50 10 JKGE C[C@H]([C@@H](Br)c1c(F)cc(Br)c(F)c1Br)C(C)(F)F 2260072772 CRPXUBRZPMLTOI-SPGJFGJESA-N 456.897 6.217 50 10 JKGE COc1ccc([C@H](Br)c2cn(C)c(Br)n2)c(Br)c1Cl 2268267214 BPIJGQIFSGMLMG-VIFPVBQESA-N 473.390 5.091 50 10 JKGE Fc1cc(Br)c(F)c(Br)c1[C@@H](Br)C1CC(C(F)F)C1 2272725104 XSUPGBGSQVDLEI-UDSLYJHRSA-N 468.908 6.217 50 10 JKGE Brc1cc(Br)cc(C[C@@H](Br)[C@@H]2[C@H]3CCCCC[C@H]32)c1 2277965896 ONIIEGCJBIUHHG-QXSJWSMHSA-N 451.040 6.344 50 10 JKGE Clc1cccc(Cl)c1[C@H](Br)c1cc2sc(Br)cc2s1 2278099196 CXDQGUAWEOLHMM-CYBMUJFWSA-N 457.039 7.516 50 10 JKGE COc1c(Cl)cc(Br)cc1[C@@H](Cl)c1cccc(Cl)c1Br 2283199913 LSZPFYRWEFYVLT-ZDUSSCGKSA-N 459.392 6.855 50 10 JKGE CCC[C@H]1CC[C@H]([C@H](Br)c2ccc(OC)c(I)c2)CC1 2284998594 RQBAQGBCQLYCOB-DCGLDWPTSA-N 451.186 6.342 50 10 JKGE Cc1ccc(C)c(NC(=O)C(C#N)=Cc2ccc(Sc3nc(C)cc(C)n3)c([N+](=O)[O-])c2)c1 2293771854 FLTKVEXQEZHDKL-UHFFFAOYSA-N 459.531 5.315 50 10 JKGE C=CCOc1cc(Br)c(C=C(C#N)C(=O)Nc2cccc(Cl)c2Cl)cc1OC 2294146930 DSEKMELOXDXOID-UHFFFAOYSA-N 482.161 5.875 50 10 JKGE CC(C)(C)c1ccc(C=C(C#N)c2nc(-c3ccccc3)c(NC(=O)c3cccs3)s2)cc1 2296709020 BOFJMIVBKHGOFS-UHFFFAOYSA-N 469.635 7.486 50 10 JKGE O=C(NN=Cc1ccc(N2N=C(c3ccccc3)C[C@@H]2c2cccc([N+](=O)[O-])c2)cc1)c1cccnc1 2297709011 UARJACGJMOYWMR-HHHXNRCGSA-N 490.523 5.109 50 10 JKGE CO[C@@H]1CC[C@H]1C[C@@H](Br)c1cc(Br)ccc1OCc1ccccc1 2299488709 JCDLZBWNRAETTF-KFKAGJAMSA-N 454.202 6.279 50 10 JKGE Cl[C@@H](c1cccc(Br)c1)c1ccc(OCc2ccccc2)cc1Br 2299523663 WIRQCTBMRUQPKQ-FQEVSTJZSA-N 466.600 7.119 50 10 JKGE CC[C@](C)(C(F)F)[C@@H](Cl)c1c(Br)sc(Br)c1Br 2299825512 MRFRSBVEFHWOMK-WKEGUHRASA-N 475.418 6.997 50 10 JKGE Cc1ccc(C(=O)Oc2ccc(C=C(C#N)C(=O)Nc3cccc(Cl)c3Cl)cc2)cc1 2313631765 VGIBQWXNXREFCO-UHFFFAOYSA-N 451.309 6.067 50 10 JKGE CCOc1cc(C=C(C#N)C(=O)Nc2c(C)cccc2C)ccc1OCc1ccc(Cl)c(Cl)c1 2313667305 KMFVESDLANMBBS-UHFFFAOYSA-N 495.406 7.134 50 10 JKGE Brc1cc(OCc2ccccc2)ccc1[C@H](Br)C1CCCCCCC1 2314449642 RLJHLJFPMOJGGT-JOCHJYFZSA-N 466.257 7.825 50 10 JKGE Cc1ccc(C)c([C@@H](Br)c2ccc(OCc3ccccc3)cc2Br)c1 2314450052 VOQGLNBIHDPALB-QFIPXVFZSA-N 460.209 7.129 50 10 JKGE Cc1cccn2c(=O)c(C=C(C#N)C(=O)Nc3ccc(Cl)cc3)c(Oc3ccc(Cl)cc3)nc12 2314533235 PSRLBKAFLRQQIA-UHFFFAOYSA-N 491.334 5.648 50 10 JKGE Cc1ccc(N2C(=O)[C@H](Cc3ccccc3C)SC2=C(C#N)C(=O)Nc2ccccc2)cc1C 2314592167 MWBBTTXTLLRECT-VWLOTQADSA-N 467.594 5.677 50 10 JKGE CC1=C(C#N)C(=O)N(C2CCCC2)C(=O)C1=Cc1cn(-c2ccccc2)nc1-c1cc2ccccc2o1 2314617357 WSSUALZIDIQJEJ-UHFFFAOYSA-N 488.547 5.820 50 10 JKGE CC(C)(C)c1ccc(C=CC(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@@H]3c2cccs2)cc1 2314634513 CFOZJAAZZOEGAM-RUZDIDTESA-N 456.567 5.883 50 10 JKGE CCCc1sc(Br)cc1[C@@H](Br)c1ccccc1Br 2316171314 NDRNGMHKCWGXDC-AWEZNQCLSA-N 453.037 6.710 50 10 JKGE Clc1cc(Cl)cc(CC[C@@H](Br)c2cc(I)sn2)c1 2318653924 DTEJOUSQFSGTIM-SNVBAGLBSA-N 476.992 6.123 50 10 JKGE CC(=NNC(=O)c1ccc(-c2ccc(Cl)cc2Cl)nc1C)c1ccc(C(C)(C)C)cc1 2321275930 MMDBGUOKSGRPGW-UHFFFAOYSA-N 454.401 6.815 50 10 JKGE C[C@H](c1ccncc1F)[C@H](Br)c1scc(Br)c1Br 2321455950 OVMRRZJZSOGRKS-LDWIPMOCSA-N 457.988 6.047 50 10 JKGE Cc1c(OCc2cccc(CCl)c2)ccc2c1OC(=Cc1ccc(-c3ccccc3)cc1)C2=O 2325361290 RZRKOAVGWIECOI-UHFFFAOYSA-N 466.964 7.596 50 10 JKGE Cc1cc(Br)c([C@@H](Br)[C@@H]2C[C@@H]3O[C@H]2[C@H]2C[C@@H]32)cc1Br 2328646116 ARJCADOVIKTHOO-XFMTUQRZSA-N 450.996 5.379 50 10 JKGE N#CC(=C(O)c1ccc(F)c(F)c1F)c1nc(-c2ccc(Oc3ccccc3)cc2)cs1 2331360376 YSXDNFQXPMXUJK-UHFFFAOYSA-N 450.441 6.970 50 10 JKGE Cc1cc(C)c(C)c(-c2csc(C(C#N)=C(O)c3cc([N+](=O)[O-])cc([N+](=O)[O-])c3C)n2)c1C 2331370131 BVYAAFLBSMCFAL-UHFFFAOYSA-N 464.503 6.118 50 10 JKGE COc1cc(C(O)=C(C#N)c2nc(-c3cc(Cl)ccc3Cl)cs2)cc(OC)c1OC 2331403693 ANSWEWIEYHZJPC-UHFFFAOYSA-N 463.342 6.093 50 10 JKGE COc1cc(C=C(C#N)c2nc(-c3ccc(C)cc3)cs2)ccc1OCc1ccc(C)cc1 2331444077 JAILGQZUUNINSY-UHFFFAOYSA-N 452.579 7.079 50 10 JKGE CCCCOc1ccc(C=C(C#N)c2nc(-c3cc(Cl)ccc3Cl)cs2)cc1OC 2331488587 HHKQCGUFQYCDLH-UHFFFAOYSA-N 459.398 7.369 50 10 JKGE COc1ccc(Cl)cc1-c1csc(C(C#N)=Cc2ccc(OCc3ccccc3)cc2)n1 2331491895 VHZPXOFFAIRKGD-UHFFFAOYSA-N 458.970 7.115 50 10 JKGE Fc1cc([C@@H](Cl)c2cc(Br)ccc2OCc2ccccc2)c(F)cc1Cl 2336049284 BHNIMMBBDFTMIS-HXUWFJFHSA-N 458.129 7.288 50 10 JKGE CC(C)c1ccc([C@@H](Br)c2cc(Br)ccc2OCc2ccccc2)cc1 2336050536 LHMZBNAEHRBHQS-HSZRJFAPSA-N 474.236 7.636 50 10 JKGE Brc1cc(OCc2ccccc2)ccc1[C@H](Br)[C@]12CCCC[C@@H]1OCC2 2336054456 RXZRSKCNRIHSIX-FKBYEOEOSA-N 480.240 6.813 50 10 JKGE COCc1ccc([C@@H](Br)c2cc(Br)ccc2OCc2ccccc2)cc1 2336075010 LMMVUIBPPTWRJG-JOCHJYFZSA-N 476.208 6.659 50 10 JKGE Fc1cc(Cl)cc([C@@H](Cl)c2ccc(OCc3ccccc3)cc2Br)c1F 2336077512 IQTPKUQNSGTGLA-IBGZPJMESA-N 458.129 7.288 50 10 JKGE COC[C@]1(C)C[C@H]1[C@@H](Br)c1c(Cl)cc(Br)c(F)c1Br 2337089342 XZEOLSNQOJIANO-ULTOFOOGSA-N 479.409 6.113 50 10 JKGE C[C@@H]1CC[C@H](C[C@@H](Br)c2c(Cl)cc(Br)c(F)c2Br)O1 2337093579 GTKUPMWRYWUSIL-BWZBUEFSSA-N 479.409 6.398 50 10 JKGE Fc1c(Br)cc(Cl)c([C@@H](Br)[C@]23COC[C@H](C2)C3)c1Br 2337098920 TWMSCFTZJUENBV-AJJMPYILSA-N 477.393 5.867 50 10 JKGE Clc1ccc(CN2[C@H]3CC[C@@H]2C[C@@H](CBr)C3)cc1I 2337213752 CNEJLVJHPBUZSI-XYYAHUGASA-N 454.577 5.083 50 10 JKGE Cc1cnc(OCc2ccc(Cl)cc2I)cc1CBr 2352407739 LXZHINVYCGTCJJ-UHFFFAOYSA-N 452.517 5.122 50 10 JKGE Fc1c(Br)cc(Cl)c([C@H](Br)C2(CC3CCC3)CC2)c1Br 2362247066 GIODGWIYONEJRS-AWEZNQCLSA-N 489.448 7.411 50 10 JKGE CCCc1sc(Br)cc1[C@H](Cl)c1cc(Br)c(F)cc1Cl 2363258245 JCZKMGCMWSSORF-CQSZACIVSA-N 461.021 7.346 50 10 JKGE CCCCO[C@@H]1[C@@H](Br)C[C@@H]1OCc1ccc(Cl)cc1I 2365647803 NLGQKUDPDCNAQH-AEGPPILISA-N 473.576 5.182 50 10 JKGE COC(C)(C)C1([C@H](Br)c2c(Br)cc(C)c(Br)c2C)CC1 2369557741 MSQXUAISVLUQRS-CQSZACIVSA-N 469.055 6.470 50 10 JKGE Cc1c(Cl)cccc1NC(=O)c1ccc(OCC(=O)N/N=C/c2ccc(Cl)cc2Cl)cc1 1916298 OGWWEOPMOGCYKY-KKMKTNMSSA-N 490.774 5.737 50 10 JKGE CC(C)CCOc1ccc(C(=O)NNC(=O)COc2ccc(C(C)(C)C)cc2Br)cc1 14036686 VHQSIMJPJQIHRH-UHFFFAOYSA-N 491.426 5.012 50 10 JKGE CC/C(=N\NC(=O)c1cc(-c2ccc(CC)cc2)nc2c(Cl)cccc12)c1ccc([C@@H](C)CC)cc1 20212772 DXZVDMLQONXKDZ-XABZQLINSA-N 498.070 8.175 50 10 JKGE COc1ccc(-c2nn(-c3ccccc3)cc2/C=C(\C#N)c2nc(O)c3ccccc3n2)cc1Cl 34983732 HFZWWTKOKUGBGK-QGOAFFKASA-N 479.927 5.914 50 10 JKGE Cc1ccc2c(O)nc(/C(C#N)=C/c3cn(-c4ccccc4)nc3-c3ccc(Cl)cc3)nc2c1 35518806 YIIFFBKTNUZLDB-XMHGGMMESA-N 463.928 6.214 50 10 JKGE C[C@@H](Oc1ccccc1F)C(=O)Oc1ccc2c(c1)OC(N)=C(C#N)[C@H]2c1ccc(Cl)cc1Cl 38655437 FRVFKMUPPWPQEO-ZLOXQWCVSA-N 499.325 5.724 50 10 JKGE CCOc1ccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4oc5cc(C)cc(C)c5c4C)ccc32)cc1 38701406 CWFBWPXVRWNFLA-HHHXNRCGSA-N 494.547 6.194 50 10 JKGE COc1cc(/C=C(\C#N)C(=O)N[C@H](C)c2ccccc2)ccc1OCc1ccc(Cl)cc1Cl 40007581 JHDXIGUZXWCVLQ-KKJJZKEWSA-N 481.379 6.365 50 10 JKGE Cc1c(C(=O)Oc2ccc(F)cc2)oc2c1/C(=N/NC(=O)C(c1ccccc1)c1ccccc1)CCC2 40815616 ISQVJAGEQMYSKS-FEZSWGLMSA-N 496.538 5.935 50 10 JKGE COc1cc(/C=N/NC(=O)[C@H](C)Oc2cc(C)c(Cl)c(C)c2)ccc1OCc1ccccc1C 40960386 WGBFQSBWCWHKFM-SNDUKXJISA-N 480.992 5.770 50 10 JKGE CCCCc1ccc(N(C(=O)/C(C#N)=C/c2ccc(OC)cc2)S(=O)(=O)c2ccccc2)cc1 40971395 NDBUNNHZACHEPT-FCDQGJHFSA-N 474.582 5.367 50 10 JKGE CCOc1cc(C(=O)NNC(=S)Nc2ccc(Nc3ccccc3)cc2)cc(OCC)c1OCC 59080338 AFLUIAKOQRFFNK-UHFFFAOYSA-N 494.617 5.258 50 10 JKGE COc1cc(/C=N/NC(=O)c2cc3cc(Br)ccc3o2)ccc1OCc1cccc(C)c1 59680099 LSWVWPCWYOCXLL-MZJWZYIUSA-N 493.357 5.855 50 10 JKGE C#CCOc1c(Br)cc(/C=C(/C#N)C(=O)Nc2cccc(Cl)c2C)cc1OCC 96476400 AXUCXOZNCOTSNG-YBEGLDIGSA-N 473.754 5.367 50 10 JKGE N#C/C(=C/c1cn(CCOc2ccc(Br)cc2)c2ccccc12)C(=O)NCc1ccco1 96488919 SVDYEAJRPDKSOF-JXAWBTAJSA-N 490.357 5.299 50 10 JKGE CC1=C(C#N)C(=O)N(C2CCCCC2)C(=O)/C1=C/c1ccc(-c2ccc(Cl)cc2Cl)o1 101339036 QEEVBGRRVCZKIN-XDHOZWIPSA-N 455.341 6.178 50 10 JKGE CC(C)Cc1ccc(-c2csc(/C(C#N)=C\Nc3ccc4c(C(F)(F)F)cc(=O)oc4c3)n2)cc1 102420070 YATAHZQYSRLGSW-AQTBWJFISA-N 495.526 7.110 50 10 JKGE N#CC(C#N)=C/C=C(/Sc1cc(C(F)(F)F)cc(C(F)(F)F)c1)c1ccc(Cl)cc1 108711022 MXMACYWFVQBHPD-NGYBGAFCSA-N 458.814 7.484 50 10 JKGE CCOc1ccc([C@@H](Br)c2ccccc2I)c(Br)c1 126712694 MASHPRHWRBXWNW-OAHLLOKOSA-N 495.980 5.937 50 10 JKGE Cc1cc(Br)c([C@H](Cl)Cc2ccc(Br)cc2)cc1Br 128611047 SKPXJBHRVTXNLG-OAHLLOKOSA-N 467.426 6.805 50 10 JKGE COc1ccc([C@H](Br)c2cc(Br)c(Br)s2)c(Cl)c1 128869093 BZTVJYYSTZCJEB-NSHDSACASA-N 475.427 6.419 50 10 JKGE COc1cc([C@@H](Cl)c2ccc(I)cc2)c(OC)cc1Br 134290495 VDERJOCVEHSHFZ-HNNXBMFYSA-N 467.528 5.399 50 10 JKGE CCOc1cc(/C=N\NC(=O)c2ccc(C)cc2)ccc1OCc1ccc(Cl)cc1Cl 169885735 VMCWSXXMXKCJPS-VYYCAZPPSA-N 457.357 6.043 50 10 JKGE CCCCc1ccc(N(C(=O)/C(C#N)=C\c2ccc(OC)cc2)S(=O)(=O)c2ccc(C)cc2)cc1 207129099 NMTQLDFKSQOEFG-CLCOLTQESA-N 488.609 5.675 50 10 JKGE N#C/C(=C/NCCc1ccccc1Br)C(=O)Nc1ccc(Oc2ccccc2)cc1 217212332 GANGDVGVHBQZRC-ZPHPHTNESA-N 462.347 5.420 50 10 JKGE Fc1cc(F)c([C@@H](Br)c2ccc(I)c(Cl)c2)cc1F 236228892 SBVLOYHIVQRHOP-ZDUSSCGKSA-N 461.446 5.846 50 10 JKGE CC(C)CN(CC(C)C)c1ccc([N+](=O)[O-])cc1C=NNC(=O)COc1cccc2ccccc12 254713765 RWEMEMKCUCSNIN-UHFFFAOYSA-N 476.577 5.396 50 10 JKGE Fc1cc2c(cc1I)nc(CCCl)n2[C@H]1CCN(Cc2ccccc2)C1 312019229 VVOOMHXDENAQFB-HNNXBMFYSA-N 483.756 5.008 50 10 JKGE Fc1ccc(Br)c([C@H](Cl)c2cc(I)cc3c2OCC3)c1 380187210 DHCKSEIVRDDVNT-AWEZNQCLSA-N 467.503 5.456 50 10 JKGE O=C(OCc1ccccc1)N1C[C@H](CBr)[C@H](c2ccccc2Br)C1 382679484 AUOKUEJREXUWGC-DOTOQJQBSA-N 453.174 5.196 50 10 JKGE C[C@@H]1C[C@@H](n2c(CCl)nc3cc(I)ccc32)CN1Cc1ccccc1 398010531 BLHZJEJIOCWESA-RHSMWYFYSA-N 465.766 5.215 50 10 JKGE Clc1cc([C@@H](Br)c2cc(Cl)c(Cl)c(Cl)c2Cl)c(Cl)s1 404821563 DQLBDLLRIFFGLX-ZETCQYMHSA-N 459.834 8.153 50 10 JKGE CN(C(=O)OC(C)(C)C)c1cccc([C@H]2COCCCN2CCO[Si](C)(C)C(C)(C)C)c1 616644785 DVNYMYMIWNUFKV-JOCHJYFZSA-N 464.723 5.843 50 10 JKGE CC1(C)COc2c([C@@H](Br)c3coc(Br)c3)cc(Br)cc21 688197876 SFEDCYBJIRSLII-ZDUSSCGKSA-N 464.979 5.959 50 10 JKGE Fc1cc2nc(CCl)n(CC[C@H]3CCN(Cc4ccccc4)C3)c2cc1Br 723938448 KTRICIWHCQUZSB-MRXNPFEDSA-N 450.783 5.589 50 10 JKGE CCOc1cc(/C=C(/C#N)C(=O)Nc2cc(C)ccc2C)ccc1OCc1cccc2ccccc12 725400081 MDVZWIHVQLZBHK-ONUIUJJFSA-N 476.576 6.980 50 10 JKGE COc1cc(C=NNC(=O)c2ccc(Cl)c(Cl)c2)ccc1OCc1ccccc1Cl 1084049826 QCZNESXBEVSMQR-UHFFFAOYSA-N 463.748 5.998 50 10 JKGE COc1cc(/C=C(/C#N)C(=O)Nc2cccc([N+](=O)[O-])c2)ccc1OCc1ccc(Cl)c(Cl)c1 1084091430 NTGGHMOIYDNICJ-MFOYZWKCSA-N 498.322 6.035 50 10 JKGE CCc1ccc(OCC(=O)NN=Cc2c3ccccc3cc3ccccc23)c(Br)c1 1084099554 KCWNUAPTEXUDBU-UHFFFAOYSA-N 461.359 5.847 50 10 JKGE O=C(NN=C1C(=O)N(Cc2cccc3ccccc23)c2ccccc21)c1ccc(Cl)cc1Cl 1084220944 FTIQLASELOPHSP-UHFFFAOYSA-N 474.347 5.828 50 10 JKGE Cc1cc(C=NNC(=O)CSc2ccc(Cl)cc2)c(C)n1-c1cc(Cl)cc(Cl)c1 1084285246 OZXJJWVDTFPEOC-UHFFFAOYSA-N 466.821 6.297 50 10 JKGE O=C(NN=Cc1ccc(OCc2cccc(Cl)c2)cc1)c1ccc(CSc2ccccc2)cc1 1084639539 MNSQZYGHVVVZON-UHFFFAOYSA-N 487.024 6.975 50 10 JKGE COc1ccc(/C(C#N)=C/c2ccc(OC(=O)CCCOc3ccccc3)c(OC)c2)cc1OC 1614478213 UNDHTEOFMSTBFZ-CJLVFECKSA-N 473.525 5.541 50 10 JKGE Cc1c(C(=O)Nc2ccccc2)oc2c1C(=NNC(=O)c1ccc(Cl)cc1Cl)CCC2 1772748439 QEZVNETXOYZDPJ-UHFFFAOYSA-N 456.329 5.618 50 10 JKGE COc1cc(C=NNC(=O)COc2cc(C)c(Cl)c(C)c2Br)ccc1OC(C)C 1772756528 MRZGZUYMIDZXBI-UHFFFAOYSA-N 483.790 5.044 50 10 JKGE CC(C)(C)C1CCC(OC(=O)COc2cccnc2NC(=O)Oc2ccc([N+](=O)[O-])cc2F)CC1 1858688837 GRZUJDZVRHQLJR-UHFFFAOYSA-N 489.500 5.267 50 10 JKGE CCCc1nn(-c2ccc(C)cc2)c2c1[C@@H](c1c(OC)ccc3ccccc13)C(C#N)=C(N)O2 1865688696 YNCGOKJRHVVLJO-RUZDIDTESA-N 450.542 5.513 50 10 JKGE COc1cc([C@H]2C(C#N)=C(N)Oc3c2c(C)nn3CC(C)C)ccc1OCc1ccc(Cl)cc1 1865700828 FJIITDXSSCZYLH-DEOSSOPVSA-N 478.980 5.307 50 10 JKGE CCCc1nn(Cc2ccc(C)cc2)c2c1[C@@H](c1ccc(N(CC)CC)cc1)C(C#N)=C(N)O2 1865702677 ZABXXVBLRJVAMP-VWLOTQADSA-N 455.606 5.257 50 10 JKGE CCc1nn(-c2ccccn2)c2c1[C@@H](c1ccccc1OCc1ccc(Cl)cc1)C(C#N)=C(N)O2 1865704532 YDHAZXMERFPHIT-DEOSSOPVSA-N 483.959 5.280 50 10 JKGE Cc1ccc(Cn2nc(-c3ccccc3)c3c2OC(N)=C(C#N)[C@H]3c2ccc(Br)cc2)cc1 1865714672 NCEXTEWSCWCIDB-HSZRJFAPSA-N 497.396 5.888 50 10 JKGE CC[C@H](NC(=O)[C@@H](c1ccc(OC)cc1)C1CCCC1)C(=O)Nc1ccc(SC#N)cc1 1867010810 HAVLHMIGWRKRLG-XZOQPEGZSA-N 451.592 5.076 50 10 JKGE N#C/C(=C\c1ccc(N2N=C(c3ccccc3)C[C@@H]2c2ccccc2)cc1)n1cnc2ccccc21 1872727414 ZITWIPQGBYGUES-PTEVRWOPSA-N 465.560 6.914 50 10 JKGE COC(=O)c1ccc2c(O)nc(/C(C#N)=C/c3cccc(OCc4ccc(Cl)cc4)c3)nc2c1 1872727663 RBOOPOKBDOLZPQ-YBFXNURJSA-N 471.900 5.419 50 10 JKGE N#C/C(=C(/O)c1ccc(Cl)cc1[N+](=O)[O-])c1nc(-c2ccc(Br)cc2)cs1 1872746676 SGPQSEWVPVLXIW-VKAVYKQESA-N 462.712 6.084 50 10 JKGE N#C/C(=C(/O)CCCOc1ccc(Cl)cc1Cl)c1nc(-c2ccc([N+](=O)[O-])cc2)cs1 1872747176 QLSZRNJIMIKFMZ-MNDPQUGUSA-N 476.341 6.677 50 10 JKGE Cc1ccc(-c2csc(/C(C#N)=C(\O)c3ccc(N4C(=O)c5ccccc5C4=O)cc3)n2)c(C)c1 1872748512 ATXDUJLZTQEMPG-BZZOAKBMSA-N 477.545 6.177 50 10 JKGE CCCOc1ccc(-c2csc(/C(C#N)=C(\O)c3ccc4c(c3)C(=O)N(C(C)(C)C)C4=O)n2)cc1 1872749238 HWVZNANPCWVCMI-LNVKXUELSA-N 487.581 5.943 50 10 JKGE C[C@H](/C(O)=C(\C#N)c1nc(-c2ccc(C(C)(C)C)cc2)cs1)N1C(=O)c2ccccc2C1=O 1872750714 KEOMOHILMVPHOL-BQHWHHKNSA-N 457.555 5.585 50 10 JKGE CCc1cccc(CC)c1N1C[C@@H](/C(O)=C(\C#N)c2nc(-c3ccc(C(C)C)cc3)cs2)CC1=O 1872752191 QVSMTMDJLHYFQA-PBQGTZBKSA-N 485.653 6.904 50 10 JKGE COc1ccc(-c2csc(/C(C#N)=C(\O)[C@H](C(C)C)N3C(=O)c4ccccc4C3=O)n2)cc1F 1872752537 IHWFNLAMHIRSBP-LEHARJQJSA-N 477.517 5.071 50 10 JKGE COc1ccc(-c2csc(/C(C#N)=C(O)/C(=C\c3ccccc3)c3ccccc3)n2)cc1F 1872752897 YFZIZXSYRZFWNZ-NLAALYTPSA-N 454.526 6.991 50 10 JKGE CCCCCCCOc1ccc(-c2csc(/C(C#N)=C(\O)Cc3ccc(OC)c(OC)c3)n2)cc1 1872752969 BOUAEJMADRBAEP-BZZOAKBMSA-N 492.641 7.212 50 10 JKGE N#C/C(=C(O)\C=C\c1cccc(Cl)c1)c1nc(-c2ccc(Oc3ccccc3)cc2)cs1 1872753842 PPSQEUXLLMXCHF-GNXKPCOCSA-N 456.954 7.762 50 10 JKGE COc1ccc(-c2csc(/C(C#N)=C(\O)[C@H]3CC(=O)N([C@@H](C)c4ccccc4)C3)n2)c(C)c1C 1872753853 QJMNXPIVZSMEEK-KQKJTQEGSA-N 473.598 5.838 50 10 JKGE COc1cc(Cl)c(C)cc1-c1csc(/C(C#N)=C(\O)c2ccc(-c3ccccc3)cc2)n1 1872755165 BATGITINJPUYPB-DAFNUICNSA-N 458.970 7.397 50 10 JKGE COc1ccc(-c2csc(/C(C#N)=C(\O)COc3cc(Cl)ccc3Cl)n2)cc1Cl 1872757728 TZGXIMBXMDOZSR-LGMDPLHJSA-N 467.761 6.651 50 10 JKGE CCOc1c(Br)cc(/C=C(\C#N)c2nc(-c3ccc(OC)c(C)c3C)cs2)cc1OC 1872793295 SIPPAHSXKALRMQ-RQZCQDPDSA-N 499.430 6.670 50 10 JKGE CCOc1ccc(-c2csc(/C(C#N)=C/c3ccc(Cl)c([N+](=O)[O-])c3)n2)c(OCC)c1 1872794204 OZLKWAAKENGDRB-OQLLNIDSSA-N 455.923 6.233 50 10 JKGE FC1(F)CC[C@@H](Br)[C@@H](Cc2cc(Cl)ccc2I)CC1 1881844572 NSOSLSCQXFVBGD-BXKDBHETSA-N 463.531 6.076 50 10 JKGE O=C(N[C@H](CCCl)COCc1ccccc1)c1csc(Br)c1Br 1902924684 SLMYKEYWSHGHBS-GFCCVEGCSA-N 481.637 5.217 50 10 JKGE Brc1cc([C@H](Br)c2sc(Br)cc2Br)ns1 1909890135 ZBSCNUZAJRISOU-ZETCQYMHSA-N 496.869 5.976 50 10 JKGE C[C@H](CCCl)N(Cc1ccccc1)S(=O)(=O)c1c(Cl)cccc1Br 1915069373 JTSWONLEVFOHRZ-CYBMUJFWSA-N 451.213 5.311 50 10 JKGE CCOc1ccc([C@H](Br)c2sc(Br)c(C)c2Br)cc1 1922899478 COPNZAPEMWBFOI-LBPRGKRZSA-N 469.036 6.465 50 10 JKGE Clc1ccc([C@@H](Cl)c2sc(Br)cc2Br)c(Br)c1 1922940875 MHCIFUYUCKGNQB-SNVBAGLBSA-N 479.846 7.017 50 10 JKGE CCC[C@@H](C(C)C)[C@@H](Br)c1c(Br)sc(Br)c1Cl 1923066203 MUYCDLVRXOYUDP-IONNQARKSA-N 467.492 7.435 50 10 JKGE C[C@@H]1CC[C@@H]([C@H](Cl)c2c(Br)sc(Br)c2Br)C1 1924570944 NVZZWILZJWSNEG-KCRUCZTKSA-N 451.449 6.752 50 10 JKGE CC(C)C[C@H](C(C)C)[C@@H](Cl)c1c(Br)sc(Br)c1Br 1924615623 DPHGCLLXBFJPPR-LDYMZIIASA-N 481.519 7.634 50 10 JKGE Fc1ccc2cc([C@H](Br)c3c(Cl)sc(Br)c3Cl)sc2c1 1925602218 ZGCAMXRQNAZTLG-JTQLQIEISA-N 475.029 7.656 50 10 JKGE C[C@@]1(CI)CC[C@H](c2scc(Br)c2Br)O1 1930748760 IXEYSKGHIOOAMJ-XCBNKYQSSA-N 465.976 5.318 50 10 JKGE Fc1cc(Cl)c(Br)cc1[C@H](Br)c1csc(Br)c1 1948499681 WILMXBCEMBCOMA-LLVKDONJSA-N 463.391 6.550 50 10 JKGE CCN[C@H](c1c(Br)sc(Br)c1Br)[C@H]1C[C@@H]1Cl 1991683797 WVXQZURGKDCRDK-YQJDLUKNSA-N 452.437 5.314 50 10 JKGE CCCN(Cc1ccccc1)S(=O)(=O)c1cc(Br)cc(CBr)c1F 2009646108 QRQWWTRHXOVXLZ-UHFFFAOYSA-N 479.209 5.084 50 10 JKGE Cc1cc(Br)c(CBr)c(-n2nc(C)c(I)c2C)c1 2053204128 WQEMRVSFYHLPJN-UHFFFAOYSA-N 483.973 5.060 50 10 JKGE O=C(N[C@@H](CBr)c1ccsc1)c1scc(Br)c1Br 2055484253 SENZFARRKPEMMT-QMMMGPOBSA-N 474.037 5.201 50 10 JKGE CCCN[C@@H](c1sc(Br)c(C)c1Br)[C@H]1C[C@H](Br)C1 2076188283 KFXMWEFKXJCHGX-FXPVBKGRSA-N 460.073 5.796 50 10 JKGE Fc1ccc(-n2nc(CBr)c(Br)c2C(F)(F)F)c(C(F)(F)F)c1 2079230828 UCWMHUCXNGDSGT-UHFFFAOYSA-N 469.980 5.706 50 10 JKGE Cc1ccc(COC2(CI)CCN(C(=O)OC(C)(C)C)CC2)cc1C 2083842443 BTFWWSCTQWAFME-UHFFFAOYSA-N 459.368 5.025 50 10 JKGE Brc1cc2c(c([C@@H](Br)c3sncc3Br)c1)OCCC2 2088928410 AKNRNBCQUSBFOG-LLVKDONJSA-N 468.008 5.477 50 10 JKGE COc1cc(Br)c(C)cc1[C@H](Cl)c1cc(Br)c(Br)s1 2089732436 IJFMMFUZVUDQHG-LBPRGKRZSA-N 489.454 6.681 50 10 JKGE CC(C)Cn1c(CBr)nnc1-c1cccc(Br)c1Br 2092339078 ZZFNVVGJRFSDAO-UHFFFAOYSA-N 451.988 5.021 50 10 JKGE F[C@@H]1CC[C@H](CC(CBr)(CBr)c2ccc(Br)cc2)C1 2093926531 GCQFFOANYZFSLC-SMDDNHRTSA-N 457.019 6.005 50 10 JKGE CCc1nc(COc2c(Br)cc(Br)cc2CBr)cs1 2113505884 CSJRGLQKEMWZAW-UHFFFAOYSA-N 470.024 5.704 50 10 JKGE Fc1cccc(CBr)c1OCc1cc(Br)ccc1Br 2118519936 PFZDOMOAAFTJIV-UHFFFAOYSA-N 452.943 5.825 50 10 JKGE Clc1cc(Br)cnc1C[C@@H](CBr)c1ccc(Br)cc1 2127194677 GVZUOWDIWJDGAW-JTQLQIEISA-N 468.414 5.981 50 10 JKGE Cc1cc(F)c(Cl)cc1[C@@H](Br)c1ccc(I)c(Cl)c1 2137072112 XKWXLQFEAONHKB-AWEZNQCLSA-N 473.938 6.530 50 10 JKGE COc1c(Cl)cc(Br)cc1[C@H](Cl)c1cc(Br)c(Cl)s1 2138252635 AKQISDBLPXBNJE-JTQLQIEISA-N 465.421 6.917 50 10 JKGE CC(C)(C)O[C@H]1C[C@@H]([C@@H](Br)c2ccc(Br)cc2Br)C1 2138867380 XKXIDARBXUBFOT-OLUVUFQESA-N 455.028 6.241 50 10 JKGE COC1CC2(C1)CC([C@H](Br)c1ccc(Br)cc1Br)C2 2138868035 ZJLBDWVWOVUSDM-JEOOTGQLSA-N 453.012 5.853 50 10 JKGE Cc1cc([C@@H](Cl)c2cc(C3CC3)c(Br)s2)ccc1I 2142123443 ZJUSTSQBTKDTJR-CQSZACIVSA-N 467.597 6.629 50 10 JKGE O=C(OCc1ccccc1)N1CC2(CC=CCN2CC2(CBr)CCCCCC2)C1 2142786387 JDHSOSWTJQVQQB-UHFFFAOYSA-N 461.444 5.375 50 10 JKGE CC1(C)[C@@H](n2c(CCl)nc3cc(Br)c(Cl)cc32)C[C@H]1OCc1ccccc1 2159863217 HFVRGWCJKJNBGQ-RBUKOAKNSA-N 468.222 6.747 50 10 JKGE CC(C)(C)OC(=O)NC[C@@H]1C[C@@H](C(F)(F)F)CCN1C[C@@H](CBr)C(C)(C)C 2163834319 FRXMSUOIEPVUDC-ZNMIVQPWSA-N 459.391 5.211 50 10 JKGE CC(C)(C)OC(=O)NC[C@]1(C(F)(F)F)CCCN1Cc1ccc(CBr)cc1 2182845944 XFMVJMCNNPRKTE-SFHVURJKSA-N 451.327 5.003 50 10 JKGE N#Cc1ccc(Oc2c(CBr)ccc(Br)c2Cl)c(Br)c1 2197254976 AVDKNAHWGVFGIK-UHFFFAOYSA-N 480.381 6.424 50 10 JKGE CC1(C)CC[C@@H](CO[C@H](CI)c2ccc(Br)cc2)OC1 2197342895 TUPPCLXJMQSADH-LSDHHAIUSA-N 453.158 5.147 50 10 JKGE O=S1(=O)CC[C@H]1[C@H](Br)c1c(Br)cc(Cl)c(Cl)c1Cl 2217618778 SFIMWFPCZVHAQR-XPUUQOCRSA-N 457.398 5.032 50 10 JKGE COC1CC(CC[C@@H](Br)c2cc(Br)c(Br)cc2F)C1 2225616895 JQOZNIQNIBIRBO-NWGYLPEXSA-N 458.991 5.992 50 10 JKGE CC1(C)OCCC[C@@H]1[C@@H](Br)c1cc(Br)c(Br)cc1F 2225618695 ZQOQXTCQBPQEEH-RNCFNFMXSA-N 458.991 5.992 50 10 JKGE CCc1ccc([C@@H](Br)c2c(Br)cc(C)c(Br)c2C)s1 2227352500 PZZWEDZDEMCODP-OAHLLOKOSA-N 467.064 6.937 50 10 JKGE Cc1cc(Br)c([C@H](Br)[C@@H]2CC[C@H]3C[C@H]3C2)c(C)c1Br 2227355976 OZNSXCBUQVQUCQ-MEQWQQMJSA-N 451.040 6.701 50 10 JKGE CC(C)(C)OC(=O)NCCSSCCNc1ncc(C(F)(F)F)cc1Br 2232184363 FEVKTMDKWPJHMV-UHFFFAOYSA-N 476.384 5.181 50 10 JKGE Fc1cccc([C@@H](Br)c2c(F)cc(F)c(Br)c2F)c1Br 2236109488 NEZDZQOLSVINQB-LLVKDONJSA-N 476.887 6.252 50 10 JKGE CCN(C[C@](C)(CI)OCCCC[C@@H]1C[C@@H]1C)C(=O)OC(C)(C)C 2248462179 BQZQKJVFZZEIGX-FCEWJHQRSA-N 453.405 5.280 50 10 JKGE Cc1cc([C@@H](Br)c2c(Br)cc(C)c(F)c2C)oc1Br 2264476694 RFPWBTOUBSIBPP-GFCCVEGCSA-N 454.959 6.353 50 10 JKGE CC(C)c1cc(Br)cc([C@H](Cl)c2sc(Br)cc2Br)c1 2265950974 KLJACNCZNJPENA-ZDUSSCGKSA-N 487.482 7.487 50 10 JKGE COc1ccc([C@@H](Br)c2nn(C)cc2Br)c(Br)c1Cl 2268267116 AKCROKKFXMEVCM-SNVBAGLBSA-N 473.390 5.091 50 10 JKGE CCC12COC([C@H](Br)c3c(F)cc(Br)c(F)c3Br)(C1)C2 2288348127 BTXRPGDKAZRISU-IYXRBSQSSA-N 474.965 5.885 50 10 JKGE N#CC(=Cc1nc(-c2cc3cc(Cl)ccc3oc2=O)cs1)c1ccc(Cl)c(Cl)c1 2295891582 SYRCGAUFQYRVTK-UHFFFAOYSA-N 459.741 6.941 50 10 JKGE Cc1ccc(C=C(C#N)c2nc(-c3cc4cc(Br)ccc4oc3=O)cs2)cc1[N+](=O)[O-] 2296321158 HFSUMPBSYIUCLB-UHFFFAOYSA-N 494.326 5.960 50 10 JKGE C[C@@H]1CCO[C@@H]1C[C@@H](Br)c1cc(Br)ccc1OCc1ccccc1 2299505241 VBVMJTKPBCJNRN-LXGCGDOSSA-N 454.202 6.279 50 10 JKGE C[C@@H]1C[C@]1(F)[C@H](Br)c1c(Cl)cc(Br)c(F)c1Br 2300174566 SBDHZWFANPSRHG-LYBRREIPSA-N 453.346 6.188 50 10 JKGE CC[C@]1(C)[C@H](Br)C[C@H]1Oc1cc(Br)cc(I)c1 2301129085 BXNAVEJGRKWYMR-JHJVBQTASA-N 473.974 5.385 50 10 JKGE O=C(N[C@@H](CCBr)COCc1ccccc1)c1cccc(Cl)c1Br 2303549179 QCUBYPLNHCJQBV-AWEZNQCLSA-N 475.608 5.203 50 10 JKGE COC(=O)c1ccc(C)c(-n2c(C)cc(C=C(C#N)C(=O)Nc3cccc(Cl)c3Cl)c2C)c1 2313571442 WLPUSTVLHPGSKJ-UHFFFAOYSA-N 482.367 6.042 50 10 JKGE Cc1ccc(NC(=O)C(C#N)=Cc2cccc(OCc3ccc(Br)cc3)c2)cc1C 2313671268 XKOVDAJDCHGPAK-UHFFFAOYSA-N 461.359 6.191 50 10 JKGE Fc1cc(Cl)c(Br)c(Cl)c1[C@@H](Br)c1occc1Br 2313759897 PCQATQKNYFADIJ-SECBINFHSA-N 481.768 6.735 50 10 JKGE N#CC(=Cc1ccc(-c2cc(C(F)(F)F)ccc2Cl)o1)C(=O)Nc1cccc(C(F)(F)F)c1 2314482227 COHFKUXBUOZFRT-UHFFFAOYSA-N 484.783 7.183 50 10 JKGE C[C@@H]1OC2(C)CC1([C@@H](Br)c1cc(Br)ccc1OCc1ccccc1)C2 2314501063 TYYSCWYOHBFANX-JAQFIQKLSA-N 466.213 6.422 50 10 JKGE CCCCOc1cccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)C=Cc4ccccc4)ccc32)c1 2314634765 HTGVWBAZYQRCGM-MUUNZHRXSA-N 466.537 5.702 50 10 JKGE CCCCNC(=O)C(C#N)=Cc1ccc(OC(=O)COc2ccc(Br)cc2C(C)C)cc1 2314789543 CUJJGLCMVSQWIO-UHFFFAOYSA-N 499.405 5.380 50 10 JKGE CCCc1sc(Br)cc1[C@H](Br)c1c(Br)cnn1C 2316177466 CIJKVYAOQMDDSF-NSHDSACASA-N 457.029 5.443 50 10 JKGE Clc1cc(I)c([C@@H](Br)[C@@H]2COc3ccccc32)s1 2316599491 REZIGNSIEQVSTI-PELKAZGASA-N 455.542 5.618 50 10 JKGE Cc1c(F)ccc([C@H](Br)c2sc(Br)cc2Br)c1Cl 2316605450 HVEOHGPITYEVBB-JTQLQIEISA-N 477.418 6.858 50 10 JKGE CC(C)(C)OC(=O)N1CCC(CI)(OC[C@H]2CC[C@H]2C(C)(C)C)CC1 2320190371 WMSDIYZXBVJRIX-HZPDHXFCSA-N 465.416 5.280 50 10 JKGE CCn1cc(C=C2Oc3cc(OCc4cccc(CCl)c4)cc(C)c3C2=O)c2ccccc21 2325361321 XVZCKBIRYPYAOP-UHFFFAOYSA-N 457.957 6.904 50 10 JKGE N#CC(=C(O)C=Cc1ccc(OCc2ccccc2)cc1)c1nc(-c2ccc(F)cc2F)cs1 2331292806 JZDQLNXEGGMVIL-UHFFFAOYSA-N 472.516 7.173 50 10 JKGE CCOc1cc(C(O)=C(C#N)c2nc(-c3cc(C)ccc3OC)cs2)cc(OCC)c1OCC 2331322721 JDHDZYVLIOJKSQ-UHFFFAOYSA-N 480.586 6.273 50 10 JKGE COCCCN1C(=O)c2ccc(C(O)=C(C#N)c3nc(-c4c(C)cc(C)cc4C)cs3)cc2C1=O 2331392992 CTBXBZUXRKEIND-UHFFFAOYSA-N 487.581 5.318 50 10 JKGE COc1cc(C)c(-c2csc(C(C#N)=C(O)c3ccc4c(c3)C(=O)N(C(C)C)C4=O)n2)cc1C 2331402705 HXKGEGAZIMMMNC-UHFFFAOYSA-N 473.554 5.390 50 10 JKGE CCOc1ccc(-c2csc(C(C#N)=Cc3ccccc3OCc3ccccc3Cl)n2)cc1 2331441054 RIKSCZAVZLUPIN-UHFFFAOYSA-N 472.997 7.505 50 10 JKGE COc1cccc([C@@H](Br)c2ccc(OCc3ccccc3)cc2Br)c1F 2336051251 QIIXTPIBEOIRCN-FQEVSTJZSA-N 480.171 6.660 50 10 JKGE Cc1cc([C@H](Br)c2cc(Br)ccc2OCc2ccccc2)cc(C)c1F 2336051477 SBYFDCFZMAIITD-NRFANRHFSA-N 478.199 7.268 50 10 JKGE Fc1c(Br)cc(Cl)c([C@H](Br)C2(C(F)(F)F)CC2)c1Br 2337083150 VHQHWQAIIPYXKX-VIFPVBQESA-N 489.326 6.783 50 10 JKGE Cc1nc(Br)c([C@@H](Br)c2cc(Cl)c(Br)cc2F)n1C 2337320384 YLDWPBMPHRMOMT-JTQLQIEISA-N 475.381 5.530 50 10 JKGE Cc1cc(F)cc(C)c1[C@H](Br)c1c(Br)c(Br)nn1C 2338862331 XDDXWEPISSAQTI-JTQLQIEISA-N 454.963 5.185 50 10 JKGE COc1ccc(Br)cc1[C@H](Cl)c1ccc(Cl)cc1I 2340063166 HUHAHDOYJPJUBA-CQSZACIVSA-N 471.947 6.044 50 10 JKGE Clc1cc(Cl)cc(CC[C@H](Cl)c2scc(Br)c2Br)c1 2341182536 RFEYJCSZSYGZKX-NSHDSACASA-N 463.449 7.493 50 10 JKGE Cc1scc([C@@H](Cl)c2scc(C(F)(F)F)c2Br)c1Br 2343557892 OWHJAJPLPUUDFY-SECBINFHSA-N 454.558 6.990 50 10 JKGE Brc1cc2c(cc1[C@@H](Br)c1ncsc1Br)CCCO2 2343586208 RNNVYJOUMYCYJT-LLVKDONJSA-N 468.008 5.477 50 10 JKGE CCc1cc(Br)c(OC)c([C@H](Br)c2cc(Br)sn2)c1 2353030928 YPIKSZAHDWJRRA-LBPRGKRZSA-N 470.024 5.723 50 10 JKGE Fc1cc(Cl)c(Br)c(Cl)c1[C@H](Br)[C@H]1C(F)(F)C12CCC2 2360404288 BIFZXWDBSQSTQY-GXSJLCMTSA-N 452.923 6.766 50 10 JKGE Fc1ccc([C@H](Br)c2c(F)cc(Cl)c(Br)c2Cl)c(Cl)c1 2360493616 RBRATHYCMNWSSX-NSHDSACASA-N 465.346 7.172 50 10 JKGE CS(=O)(=O)c1cccc([C@@H](Cl)c2ccc(OCc3ccccc3)cc2Br)c1 2361215673 VQYLCKCISCBSPO-OAQYLSRUSA-N 465.796 5.760 50 10 JKGE Fc1c(Br)cc(Cl)c([C@@H](Br)C2(CC3CC3)CCC2)c1Br 2362241631 YUKPCZHSIFFUPW-CQSZACIVSA-N 489.448 7.411 50 10 JKGE FC(F)(F)CCCCCO[C@H](CI)c1ccccc1Br 2362732197 HCSPOPCRYQGDHA-CYBMUJFWSA-N 465.091 6.065 50 10 JKGE Cc1cc(Cl)c(Br)cc1[C@@H](Br)c1ccc(Cl)c(Cl)c1C 2364440932 OIXZCAAMEUZWLV-AWEZNQCLSA-N 457.420 7.510 50 10 JKGE COc1c(Br)cc(C)c([C@@H](Br)[C@@H]2C[C@@H]2C(F)(F)F)c1Br 2365215597 LUDWBIUCKIWYFD-FWWHASMVSA-N 480.944 6.163 50 10 JKGE Clc1ccc(COCCCCCCCCCBr)c(I)c1 2365634524 WISNLXKYHXICBB-UHFFFAOYSA-N 473.620 6.587 50 10 JKGE Fc1ccc(CBr)c(OCc2ccc(Cl)cc2I)c1F 2366707713 UATMMIVCZPMYOO-UHFFFAOYSA-N 473.482 5.697 50 10 JKGE Brc1cccc([C@H](CI)OCC2CCCCCCC2)c1 2368644301 SUSRIUWDRQGEFI-KRWDZBQOSA-N 451.186 6.302 50 10 JKGE Cc1ccc(N2C(=O)[C@@H](Cc3ccccc3)S/C2=C(\C#N)C(=O)Nc2ccc(Cl)cc2)cc1 16739803 UHILWYMWFDSVEH-QPQMVVSWSA-N 473.985 5.713 50 10 JKGE COc1cccc2cc(-c3nn(-c4ccccc4)cc3/C=C(\C#N)C(=O)N3CCCCC3)oc12 33515856 AWDDORWOYCZAEF-HMMYKYKNSA-N 452.514 5.214 50 10 JKGE CCCCCOc1ccc(/C=C2/C(=O)N(CCc3ccccc3)C(=O)C(C#N)=C2C)cc1OC 38607537 UTLWDDSBHBAQOC-HAVVHWLPSA-N 458.558 5.099 50 10 JKGE CSc1ccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)COc4ccc(C)c(C)c4)ccc32)cc1 38682502 YKZORTAEOIVEBZ-AREMUKBSSA-N 472.566 5.228 50 10 JKGE Cc1ccc(C)c(NC(=O)/C(C#N)=C\c2cc(Cl)ccc2OCc2ccccc2Cl)c1 59145738 DDBSXMURAWFHNY-NDENLUEZSA-N 451.353 6.735 50 10 JKGE O=C(N/N=C/c1ccc(Sc2nnc(-c3ccccc3)n2-c2ccccc2)o1)c1cccc(F)c1 59502656 ULVKHSHVDPCCAP-OGLMXYFKSA-N 483.528 5.582 50 10 JKGE N#Cc1ccccc1CP(Br)(c1ccccc1)(c1ccccc1)c1ccccc1 100032738 FWAYRDAXFRCAHQ-UHFFFAOYSA-N 458.339 5.898 50 10 JKGE Cc1ccc(-c2csc(/C(C#N)=C(\O)c3ccc(-c4cc(Cl)ccc4Cl)o3)n2)cc1 100989735 TXYOAMYLNCJYQD-XLNRJJMWSA-N 453.350 7.635 50 10 JKGE C=CCNC(=O)/C(C#N)=C1\S[C@H](Cc2cccc(C(F)(F)F)c2)C(=O)N1c1ccc(C(C)C)cc1 101241594 APJGRUXVYDCNLF-CKVBZJJFSA-N 499.558 5.557 50 10 JKGE COc1cc(/C=C2/C(=O)N([C@H](C)c3ccccc3)C(=O)C(C#N)=C2C)ccc1OCc1ccccc1F 101337961 SFFGMRPFSPWWLN-FBTHGLLTSA-N 496.538 5.767 50 10 JKGE COc1cc(C)c(Br)cc1[C@H](Br)c1cc(F)ccc1Br 115866958 DGJMIPGYMCDGTA-OAHLLOKOSA-N 466.970 6.152 50 10 JKGE FC(F)(F)c1cccc([C@H](Br)c2cc(Br)c(Br)s2)c1 128196857 NQNRXKFBMUDYNY-JTQLQIEISA-N 478.953 6.776 50 10 JKGE COc1ccc([C@@H](Br)c2cc(Br)c(Br)s2)c2ccccc12 128547066 SKOKBHQSWMIUEG-OAHLLOKOSA-N 491.042 6.919 50 10 JKGE Fc1cc([C@H](Br)c2c(F)cccc2Br)c(F)cc1Br 161212198 GPROHPZBPRKIAX-ZDUSSCGKSA-N 458.897 6.113 50 10 JKGE Fc1cc(Br)cc([C@H](Br)c2csc3c(Br)cccc23)c1 163528951 NRSZISWHKOVYIT-AWEZNQCLSA-N 479.006 7.050 50 10 JKGE COc1ccc(N(C(=O)CCl)[C@H](C(=O)N[C@H]2CCCC[C@@H]2C)c2ccccc2Cl)cc1Cl 169703945 OWNHWCJGZBDBJQ-RSDPBLMXSA-N 497.850 6.010 50 10 JKGE O=C(N/N=C/c1ccc(Br)cc1)c1ccc2[nH]c(-c3ccccc3Cl)nc2c1 169926761 AANXCMSWJIRVCC-WYMPLXKRSA-N 453.727 5.410 50 10 JKGE CC[C@@H](NC(=O)/C(C#N)=C\Nc1ccc(I)cc1C)c1ccc2c(c1)CCCC2 217189971 UWOIERBZVMBRSN-MNJKBJKMSA-N 499.396 5.565 50 10 JKGE Cc1sc([C@H](Cl)c2cc(Br)c(Br)s2)cc1Br 227827330 KEUOWMMNQODABB-VIFPVBQESA-N 465.457 6.734 50 10 JKGE CCOc1ccc([C@@H](Br)c2cc(F)cc(Br)c2)cc1Br 228996432 QUFAVZDXVBAPKN-OAHLLOKOSA-N 466.970 6.234 50 10 JKGE CCCCCCCCC(=O)NN=Cc1ccc(OC(=O)c2ccc(OCC)cc2)c(OCC)c1 254556425 PJHJPXNMVAKLJX-UHFFFAOYSA-N 468.594 5.904 50 10 JKGE 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 257417005 FMQSPIDOGLAJKQ-PIEXZBRQSA-N 458.683 5.813 50 10 JKGE biogenic C[C@@H]1CC[C@@H](Oc2c(Br)cc(Br)cc2CBr)C[C@H]1C 311647767 SVSLUJNQTWFVNG-GIPNMCIBSA-N 455.028 6.310 50 10 JKGE Cc1cc(Oc2ccc(Br)cc2CBr)c(C)c(C)c1Br 380474261 JOGAPBKJULIJLJ-UHFFFAOYSA-N 463.007 6.824 50 10 JKGE COc1ccc(Br)cc1[C@H](Br)c1sccc1I 383416562 WQOODHFCPJLIBE-NSHDSACASA-N 487.982 5.608 50 10 JKGE O=C(Nc1ccc(I)cc1Br)c1ccc(CBr)cc1 394111224 NQJWTYDFKAFRTN-UHFFFAOYSA-N 494.952 5.201 50 10 JKGE C[C@@H](COc1c(Br)cc(CBr)cc1Br)c1ccccc1 395240129 RYBRRNCTUXBQOA-NSHDSACASA-N 463.007 6.289 50 10 JKGE CC[C@@H](CC(F)(F)F)[C@H](Br)c1cc(I)cc2c1OCC2 402682614 ZXRXCSIFYFUEPD-UFBFGSQYSA-N 463.075 5.641 50 10 JKGE Clc1ccc(Cl)c([C@H](Br)c2cc(Cl)c(Cl)c(Cl)c2Cl)c1 404672026 YSSXOMFZPSLDMU-JTQLQIEISA-N 453.805 8.091 50 10 JKGE CC(C)(C)OC(=O)N1C[C@@H](c2cccc(CO[Si](C)(C)C(C)(C)C)c2)Cc2ccccc21 616669853 NLORXJFXEGHSNU-QHCPKHFHSA-N 453.699 7.290 50 10 JKGE O=C(NC1(CCBr)CCCC1)c1cc(Br)cc(Br)c1 687278589 LHJVRMFCXZXMNY-UHFFFAOYSA-N 454.000 5.039 50 10 JKGE CC1(C)COc2c([C@H](Br)c3ccc(Br)s3)cc(Br)cc21 688196041 PLQJEKJKLALZTQ-ZDUSSCGKSA-N 481.047 6.427 50 10 JKGE Cn1cc(Br)c([C@H](Br)c2cc(Br)c(Br)s2)n1 693098968 DUJFQLAWDAKYPM-SSDOTTSWSA-N 493.844 5.253 50 10 JKGE C[C@@H](COc1c(Br)cc(Br)cc1CBr)CC(C)(C)C 709243093 KYSZJLFEIDRAKQ-SNVBAGLBSA-N 457.044 6.558 50 10 JKGE CC[n+]1c(/C=C\C(C=O)=C2C=C(c3ccccc3)OC(c3ccccc3)=C2)sc2ccccc21 1082888760 WPCRNMYUQHKUHG-ZCXUNETKSA-N 462.594 6.830 50 10 JKGE [N-]=[N+]=Nc1ccc(C(=O)NCCC[P+](c2ccccc2)(c2ccccc2)c2ccccc2)cc1 1083104350 JFINWZMJGWBEGN-UHFFFAOYSA-O 465.517 5.742 50 10 JKGE O=C(CSc1nc2ccccc2[nH]1)NN=Cc1ccc(OC(=O)c2ccc(Cl)cc2Cl)cc1 1083887329 YBEHUBKGHJOAJD-UHFFFAOYSA-N 499.379 5.331 50 10 JKGE Cc1ccccc1-n1c(C)c(Br)c(C=NNC(=O)CCSc2ccccc2)c1C 1083960875 DVBGTDQVHBJHAL-UHFFFAOYSA-N 470.436 5.798 50 10 JKGE Cc1cc(C=NNC(=O)C(=O)Nc2cccc3ccccc23)c(C)n1-c1cccc(Cl)c1Cl 1084088346 QDNOUYGBGZHEIP-UHFFFAOYSA-N 479.367 5.643 50 10 JKGE CCOc1ccc([C@H](O)CCC(=O)NN=Cc2ccc(OCc3ccccc3Cl)cc2)cc1 1084281843 ZZACQQYGMVCHSL-RUZDIDTESA-N 466.965 5.282 50 10 JKGE Cc1cc(C)cc(-n2c(C)cc(C=NNC(=O)CSC3c4ccccc4-c4ccccc43)c2C)c1 1084396180 QTPOJWVNZAIKCQ-UHFFFAOYSA-N 479.649 6.664 50 10 JKGE CC(C)(C)OC(=O)N1C[C@@H](CI)[C@H](c2cc(C(F)(F)F)ccc2F)C1 1614690822 GRDBUDXQSOHIIG-ZWNOBZJWSA-N 473.248 5.230 50 10 JKGE CCOc1cc(C(=O)Oc2cccc(/C=C(\C#N)c3ccccc3OC)c2)cc(OCC)c1OCC 1615067194 DLDHDWUGFFLFFE-PXLXIMEGSA-N 487.552 6.175 50 10 JKGE COc1cc(C=NNC(=O)COc2ccc3ccccc3c2)ccc1OCc1ccccc1C 1772753620 VMJWITKDJPMWCH-UHFFFAOYSA-N 454.526 5.265 50 10 JKGE Cc1ccccc1C(=O)Nc1cccc2c(OC(=O)Nc3ccc(SC#N)cc3)cccc12 1858768667 LVRVSWMNHBQTPV-UHFFFAOYSA-N 453.523 6.585 50 10 JKGE CCc1cccc(CC)c1N1C(=O)c2ccc(C(=O)Nc3ccc(SC#N)cc3)cc2C1=O 1859466929 FKYBKUIPTYNFDX-UHFFFAOYSA-N 455.539 5.437 50 10 JKGE O=C(CCCC[C@H]1CCSS1)NC[C@@H](Cc1nc2ccccc2[nH]1)c1ccc(Cl)cc1 1860191939 ZVYTZPPSDACWNC-QUCCMNQESA-N 474.095 6.373 50 10 JKGE COc1ccc(-n2nc(-c3ccccc3)c3c2OC(N)=C(C#N)[C@@H]3c2cccc(Cl)c2)cc1 1865683899 PYISOBJTHXFKHA-QFIPXVFZSA-N 454.917 5.419 50 10 JKGE CCc1nn(Cc2ccc(Cl)cc2)c2c1[C@H](c1ccc(OCc3ccccc3)cc1)C(C#N)=C(N)O2 1865690364 PIISFXORAVMCGW-AREMUKBSSA-N 496.998 5.944 50 10 JKGE CCCc1nn(-c2ccc(Cl)c(Cl)c2)c2c1[C@H](c1cccc(OC)c1OCC)C(C#N)=C(N)O2 1865693934 SCAZVZUUBNZAFL-OAQYLSRUSA-N 499.398 5.757 50 10 JKGE CCCCCCOc1ccc([C@@H]2C(C#N)=C(N)Oc3c2c(-c2ccccc2)nn3C)cc1OC 1865695956 JHCFVMDTCQQNAA-HSZRJFAPSA-N 458.562 5.273 50 10 JKGE N#CC1=C(N)Oc2c(c(C(F)(F)F)nn2Cc2ccccc2Cl)[C@@H]1c1c[nH]c2ccccc12 1865699899 FZWFFDZHALXDPP-SFHVURJKSA-N 469.854 5.303 50 10 JKGE CCc1nn(Cc2ccccc2)c2c1[C@@H](c1ccc(OCc3ccccc3Cl)cc1)C(C#N)=C(N)O2 1865703865 HMBHJHXIHVPFTA-SANMLTNESA-N 496.998 5.944 50 10 JKGE CCc1nn(Cc2ccc(Cl)cc2)c2c1[C@@H](c1cccc(OCc3ccccc3)c1)C(C#N)=C(N)O2 1865712453 YYPWCKNKZPPEKH-SANMLTNESA-N 496.998 5.944 50 10 JKGE CSCC[C@H](NC(=O)/C(C)=C/c1cccc(Cl)c1)C(=O)Nc1ccc(SC#N)cc1 1866820736 WNIGJLGZPDWTON-IURSYISVSA-N 460.024 5.193 50 10 JKGE CC[C@H]1Cc2cc(OC)ccc2N(c2cc(Nc3ccc(SC#N)cc3)nc(C(C)C)n2)C1 1868231675 NYZYVYKMJVALFF-SFHVURJKSA-N 459.619 6.646 50 10 JKGE N#C/C(=C(/O)c1ccc2c(c1)C(=O)N(Cc1ccco1)C2=O)c1nc(-c2ccc([N+](=O)[O-])cc2)cs1 1872746982 IWGXPEZJTMLOJM-XDOYNYLZSA-N 498.476 5.057 50 10 JKGE CCOc1ccc(-c2csc(/C(C#N)=C(O)/C=C/c3ccc(OC(C)=O)c(OC)c3)n2)cc1 1872747858 WSIBLZVDGVXVOT-GZNIQKBYSA-N 462.527 5.649 50 10 JKGE CSCC[C@H](/C(O)=C(\C#N)c1nc(-c2cc(C)ccc2C)cs1)N1C(=O)c2ccccc2C1=O 1872749792 INEQAUZMLZZKNE-LAGVDGIJSA-N 489.622 5.638 50 10 JKGE COc1ccc(-c2csc(/C(C#N)=C(\O)CCCCCNC(=O)c3ccccc3)n2)cc1F 1872752826 UXIZZVFYILZKFT-QOCHGBHMSA-N 465.550 5.741 50 10 JKGE COc1ccc(-c2csc(/C(C#N)=C(\O)COc3cc(C)c(Cl)c(C)c3)n2)c(OC)c1 1872755243 DYTJFTMONDAPKK-ZZEZOPTASA-N 456.951 5.969 50 10 JKGE COc1cc(/C=C(\C#N)c2nc(-c3ccc(F)cc3F)cs2)cc(Br)c1OC(C)C 1872784344 LUKFTFWFRMIIAJ-MKMNVTDBSA-N 491.357 6.711 50 10 JKGE COc1cc(/C=C(\C#N)c2nc(-c3ccc(C(C)C)cc3)cs2)ccc1OCCN1CCOCC1 1872791205 BIOCYEYPNPAUML-LFVJCYFKSA-N 489.641 5.717 50 10 JKGE Cl[C@@H](c1ccc(OCc2ccccc2)cc1Br)c1cocc1Br 1899860435 OHNOXOYZBXYAKG-SFHVURJKSA-N 456.561 6.712 50 10 JKGE C[C@H](CCBr)N(Cc1ccccc1)S(=O)(=O)c1ccc(Br)cc1Cl 1915095204 SSGCDAQMZBVGMJ-CYBMUJFWSA-N 495.664 5.467 50 10 JKGE Cc1cc(Br)c(F)c(C(=O)N(Cc2ccccc2)[C@@H](CBr)C(C)C)c1 1915290984 KGCRNUXGVCUNAN-SFHVURJKSA-N 471.208 5.959 50 10 JKGE CC(C)[C@@H](CBr)N(Cc1ccccc1)C(=O)c1cc(Br)ccc1F 1915297972 NIFZJNQTPUJEAM-GOSISDBHSA-N 457.181 5.650 50 10 JKGE Cc1c(Br)sc([C@H](Br)[C@@H]2COc3ccccc3O2)c1Br 1922883085 ODSSQNBHSBHXEL-CMPLNLGQSA-N 483.019 5.858 50 10 JKGE Cn1cc([C@H](Br)c2sc(Br)cc2Br)nc1Br 1922889102 UISQRYWRCGAOAZ-ZETCQYMHSA-N 493.844 5.253 50 10 JKGE Cc1c(Br)sc([C@H](Br)[C@H]2CC23CCOCC3)c1Br 1922906422 JELAULKTLVLKLN-PSASIEDQSA-N 459.041 5.834 50 10 JKGE CC[C@@H](C[C@H](Br)c1sc(Br)c(C)c1Br)C(C)(C)C 1922912846 RKYRBBJNKUSYSX-UWVGGRQHSA-N 461.101 7.480 50 10 JKGE Fc1c(Cl)cccc1[C@H](Br)c1sc(Br)cc1Br 1922934935 LBHJNCYVYYOCAA-VIFPVBQESA-N 463.391 6.550 50 10 JKGE Clc1ccccc1C[C@H](Br)c1sc(Br)cc1Br 1922935964 SYMHJONYMONWFH-QMMMGPOBSA-N 459.428 6.605 50 10 JKGE CC(C)C[C@@H]1C[C@@H]1[C@@H](Br)c1c(Br)sc(Br)c1Cl 1923047762 CXGNYFVLUVQXOH-BKPPORCPSA-N 465.476 7.045 50 10 JKGE Clc1cscc1[C@@H](Br)c1c(Br)sc(Br)c1Cl 1923062017 OCTITRGXRHGLDJ-ZCFIWIBFSA-N 485.875 7.126 50 10 JKGE CC[C@]1([C@H](Br)c2c(Br)sc(Br)c2Cl)CCCO1 1923067711 HKBNEWIQBFGESE-LDYMZIIASA-N 467.448 6.322 50 10 JKGE Cl[C@H](CC[C@@H]1CCOC1)c1c(Br)sc(Br)c1Br 1924604419 BLLVFYNSCUVRDK-RNFRBKRXSA-N 467.448 6.132 50 10 JKGE CCCOc1ccc([C@@H](Br)c2csnc2Br)cc1Br 1925257236 RVGXWZLRNVZTNV-GFCCVEGCSA-N 470.024 5.941 50 10 JKGE Cc1c(CCl)cccc1S(=O)(=O)N(CCN(C)Cc1ccccc1)Cc1ccccc1 1946826180 FQDIUWCXFCKOKW-UHFFFAOYSA-N 457.039 5.057 50 10 JKGE CO[C@H]1C[C@@H](C[C@@H](Br)c2c(Br)sc(Br)c2Cl)C1 2002401169 IMKVYFZURCGPNY-DSYKOEDSSA-N 467.448 6.178 50 10 JKGE Cc1c(Br)ccc([C@@H](Br)c2ccc(Cl)s2)c1Br 2024296245 ZJZYHPXYOPRKQD-GFCCVEGCSA-N 459.428 6.719 50 10 JKGE O=C(NCC1CCN(CCCCCCCCCBr)CC1)OCc1ccccc1 2044704310 BQJHWEXJXSOOGW-UHFFFAOYSA-N 453.465 5.750 50 10 JKGE Brc1cc([C@H](Br)[C@H]2CC3(CCCC3)CO2)c(Br)s1 2047505512 HJPVEGLDIJCTDF-KOLCDFICSA-N 459.041 6.058 50 10 JKGE Cc1cc(Br)c(F)c([C@H](Cl)c2cc(Br)ccc2Br)c1 2089378085 MVXPHXAJRHKUGI-CYBMUJFWSA-N 471.389 6.750 50 10 JKGE CN(C(=O)c1c(Br)cccc1Br)[C@H](CBr)C(C)(C)C 2094094745 FNGRGCSNRJLTKE-LLVKDONJSA-N 456.016 5.093 50 10 JKGE Brc1ccc([C@H](Br)c2cscc2OCc2ccccc2)c2ccccc12 2100094524 YAOSWYKONCSFDW-QFIPXVFZSA-N 488.244 7.727 50 10 JKGE ClCCc1nc2cc(Cl)c(Br)cc2n1[C@H]1CC[C@H]1OCc1ccccc1 2112696797 PTQOISWMBTTXPZ-PKOBYXMFSA-N 454.195 6.154 50 10 JKGE Fc1ccccc1[C@@H](Br)CCc1cc(Cl)ccc1I 2113383744 HCCXOLGYISIQOG-ZDUSSCGKSA-N 453.520 6.153 50 10 JKGE CCC[C@H](Cl)c1cn(-c2c(Br)cc(Br)cc2Br)nn1 2121069983 HSJSQLSNKLQUAM-JTQLQIEISA-N 472.406 5.635 50 10 JKGE O=S(=O)(c1cc(CBr)ccc1Cl)N(CCC(F)(F)F)Cc1ccccc1 2123199667 VZMZHYWFTOVSCK-UHFFFAOYSA-N 470.738 5.378 50 10 JKGE CO[C@@H]1C[C@@H]([C@H](Br)c2cc(Br)ccc2Br)C12CCC2 2133847357 PUCQUYLQFDTQTJ-IACUBPJLSA-N 453.012 5.853 50 10 JKGE COc1c(Br)cc(C)cc1[C@H](Br)c1nc(C)sc1Br 2138999291 OWEDVKOJXAFCAT-JTQLQIEISA-N 470.024 5.778 50 10 JKGE Cl[C@@H](c1c(Br)sc(Br)c1Br)C1C[C@H]2COC[C@H](C1)C2 2141801322 UWLVCABSWUEREX-OKTBNZSVSA-N 493.486 6.378 50 10 JKGE FC1(F)[C@@H]2CC(CBr)(Cc3ccc(I)c(Cl)c3)C[C@H]21 2142939093 DMAOMEORCYTQAC-NXEZZACHSA-N 461.515 5.544 50 10 JKGE COc1cc(Br)c(C)cc1[C@@H](Cl)c1cc(Br)cc(Br)c1 2145954854 FDMSYXPAGFZKJZ-HNNXBMFYSA-N 483.425 6.619 50 10 JKGE O=C(N[C@H](CCBr)C1CCCC1)c1cccc(Br)c1Br 2148770354 OIXFYGSPFQHYHK-CYBMUJFWSA-N 468.027 5.285 50 10 JKGE Cc1cc(Br)c([C@H](Br)C(C)(C)C2CCCCC2)cc1Br 2149610914 OCNSIEPGDQGLDM-INIZCTEOSA-N 467.083 7.563 50 10 JKGE C[C@H](Br)C[C@@H]1CCCCCN1C(=O)c1csc(Br)c1Br 2150344471 LVUAZKSUNRQUJZ-UWVGGRQHSA-N 488.083 5.831 50 10 JKGE O=C(N[C@H](CBr)Cc1ccccc1)c1csc(Br)c1Br 2150345013 YABKZMFQWZBFFT-JTQLQIEISA-N 482.035 5.009 50 10 JKGE COc1cccc([C@@H](Br)CCc2cc(Cl)ccc2I)c1 2155646849 SWAYQDRJPDIYQX-HNNXBMFYSA-N 465.556 6.022 50 10 JKGE Cc1c(Cl)cc([C@H](Br)Cc2c(Cl)cccc2Cl)cc1Br 2167381636 NDGLJMSTAKDMQI-GFCCVEGCSA-N 457.420 7.396 50 10 JKGE Cc1cc(Br)c(CCl)c(Oc2cc(Cl)c(Br)cc2Cl)c1 2173455157 KNJIFIGYMDZHNH-UHFFFAOYSA-N 459.392 7.358 50 10 JKGE CCCCCc1ccc([C@H](Cl)c2cc(Br)ccc2I)s1 2197256561 OUWILENPIINYMZ-MRXNPFEDSA-N 483.640 7.176 50 10 JKGE COc1ccc([C@H](Cl)c2ccc(Br)cc2Br)c(Cl)c1Cl 2203447358 ICIBLCRXQSXZJX-GFCCVEGCSA-N 459.392 6.855 50 10 JKGE Clc1cc(CN2CC[C@@H]3CC[C@@H](Br)C[C@H]3C2)ccc1I 2208044827 OELLNMZYNYSLFZ-MELADBBJSA-N 468.604 5.330 50 10 JKGE CC(C)(C)OC(=O)Nc1ccc([S@@](C)(=O)=NCCCCCI)cc1 2214704257 BCBNLDKAAOBONH-XMMPIXPASA-N 466.385 5.096 50 10 JKGE COC12CCC([C@@H](Br)c3cc(Br)c(Br)s3)(CC1)C2 2223621146 HXOWZOGSSQPFSA-PKSQDBQZSA-N 459.041 6.058 50 10 JKGE COc1ccc([C@H](Br)c2csc(I)c2)cc1C(C)C 2224902096 KQYBDZBWRSRCAV-HNNXBMFYSA-N 451.167 5.969 50 10 JKGE CCCN[C@H](c1cc(Br)c(Br)cc1F)[C@H]1C[C@@H](Br)C1 2225628401 GVVIODCVKWVRDU-QIBSRJKCSA-N 458.007 5.565 50 10 JKGE CC1(C)CN(C(=O)c2scc(Br)c2Br)C[C@@H]1CCBr 2230142333 DYMMFGZRRGQMQX-QMMMGPOBSA-N 474.056 5.156 50 10 JKGE O=C(c1csc(Br)c1Br)N1C[C@H](Br)CC12CCCC2 2232260794 LUWMRPDSZQIUJZ-MRVPVSSYSA-N 472.040 5.195 50 10 JKGE COCC1([C@H](Br)c2cc(Br)c(Br)cc2F)CCCCC1 2233978055 YMEAPJJDUZJFLO-CQSZACIVSA-N 473.018 6.384 50 10 JKGE Cc1cc(Br)c([C@H](Br)[C@H]2CCCCC23CC3)c(C)c1Br 2235603324 INXHBDNXSFCYGL-MLGOLLRUSA-N 465.067 7.235 50 10 JKGE Cc1cc(Br)c([C@H](Br)[C@H]2C(F)(F)C23CCC3)c(C)c1Br 2235614106 FDPOJIVEUJUESR-QWHCGFSZSA-N 472.993 6.700 50 10 JKGE BrC[C@]12CCCC[C@H]1CN(Cc1c(Br)cccc1Br)C2 2239171150 GKZRTTHBDFNVOX-LRDDRELGSA-N 466.055 5.599 50 10 JKGE COc1ccc([C@H](Br)c2scc(Br)c2Cl)cc1Br 2253602350 HLNNPDIZLSNAHX-JTQLQIEISA-N 475.427 6.419 50 10 JKGE Cc1nc(C)c([C@H](Br)Cc2cc(Br)cc(Br)c2)s1 2263519627 UQEPRAMUBARWEZ-GFCCVEGCSA-N 454.025 5.964 50 10 JKGE CN(Cc1cccc(I)c1)c1ccc(CBr)c(Br)c1 2265548047 TVUMHLYOFASHMT-UHFFFAOYSA-N 494.996 5.585 50 10 JKGE Brc1cc(Br)cc(C[C@H](Br)[C@H]2C[C@@H]3CC[C@H](C2)O3)c1 2277957924 YPEPCBKSXOIFCK-HPEDKQMDSA-N 453.012 5.475 50 10 JKGE COc1ccc([C@@H](Cl)c2sc(C)c(C)c2Br)c(Br)c1Cl 2283545866 VCUWHXWNWZKRHL-GFCCVEGCSA-N 459.030 6.880 50 10 JKGE Cc1cc([C@@H](Br)c2c(F)cc(Br)c(F)c2Br)ccc1Cl 2288348170 CFUKSFKSMZZDAM-GFCCVEGCSA-N 489.379 6.936 50 10 JKGE N#CC(=Cc1cc2ccccc2nc1Cl)c1nc(-c2cc3cc(Cl)ccc3oc2=O)cs1 2296348648 BHNKWYLXAUCLGD-UHFFFAOYSA-N 476.344 6.836 50 10 JKGE Cc1ccc(C[C@@H]2SC(=C(C#N)C(=O)Nc3ccccc3F)N(c3ccccc3)C2=O)cc1 2296506913 LIDSHIFKXLXQEB-QHCPKHFHSA-N 457.530 5.199 50 10 JKGE COc1cc(C=C(C#N)C(=O)NCCc2ccccc2)ccc1OCc1cccc(C(F)(F)F)c1 2297381873 JDLLJRMMINVFGW-UHFFFAOYSA-N 480.486 5.559 50 10 JKGE N#CC(=Cc1cn(CCOc2ccccc2Cl)c2ccccc12)C(=O)Nc1nc2ccccc2s1 2297500349 IZWSEVXZWMPNHB-UHFFFAOYSA-N 498.995 6.529 50 10 JKGE Brc1cc(OCc2ccccc2)ccc1[C@H](Br)C1CCCCCC1 2299530442 LZCSRBBHILOOJT-OAQYLSRUSA-N 452.230 7.435 50 10 JKGE Cc1ccc(COc2ccc(Br)cc2C=C(C#N)C(=O)Nc2cc(C)ccc2C)cc1 2313553244 XEACTQVKHBDHND-UHFFFAOYSA-N 475.386 6.499 50 10 JKGE COc1cc(C=C(C#N)C(=O)NCc2ccccc2)cc(Br)c1OCc1ccccc1F 2313565358 WMHLIQMIZUAEHA-UHFFFAOYSA-N 495.348 5.399 50 10 JKGE CCOc1cc(C=C(C#N)C(=O)Nc2ccc(C)cc2)cc(Cl)c1OCc1ccc(C(=O)O)cc1 2313568244 QIEPEZVTFDZRFH-UHFFFAOYSA-N 490.943 5.870 50 10 JKGE N#CC(=Cc1ccc(OCc2ccccc2C#N)c(Br)c1)C(=O)NCc1ccccc1 2313574040 DYCPSWGSISALCL-UHFFFAOYSA-N 472.342 5.123 50 10 JKGE CCCOc1c(Br)cc(C=C(C#N)C(=O)Nc2ccc(Cl)c(Cl)c2)cc1OC 2313631797 VYJSLHJIGMQFJY-UHFFFAOYSA-N 484.177 6.099 50 10 JKGE CC(C)(C)c1cc(C=C(C#N)C(=O)Nc2cc([N+](=O)[O-])ccc2Cl)cc(C(C)(C)C)c1O 2313667426 MVBKSULJASSYFH-UHFFFAOYSA-N 455.942 6.094 50 10 JKGE CCOc1ccc(NC(=O)C(C#N)=Cc2ccc(OCc3ccc(Cl)cc3Cl)cc2)cc1 2313676913 XXZXCISLNXIUJX-UHFFFAOYSA-N 467.352 6.517 50 10 JKGE Cc1ccc(C[C@@H]2SC(=C(C#N)C(=O)NCc3ccccc3)N(c3ccc(C(C)C)cc3)C2=O)cc1 2314592757 BDDIEWAIAKGZCH-MHZLTWQESA-N 495.648 5.861 50 10 JKGE C=CCOc1ccc(-c2nn(-c3ccccc3)cc2C=C2C(=O)N(CC=C)C(=O)C(C#N)=C2C)c(C)c1 2314616924 MYJFIRPFLXUMHX-UHFFFAOYSA-N 490.563 5.191 50 10 JKGE COc1cc(C=C2C(=O)N(Cc3ccccc3)C(=O)C(C#N)=C2C)ccc1OCc1ccc(C)cc1 2314617874 CFXVRKXBTWTJQF-UHFFFAOYSA-N 478.548 5.375 50 10 JKGE FC1(F)C[C@]12CC[C@@H]([C@@H](Br)c1sc(Cl)cc1I)C2 2316777306 LWIVCSVDUVFJKU-KNBVPPQFSA-N 467.544 6.268 50 10 JKGE COc1ccc(C(C#N)=Cc2ccc(OC(=O)c3cc4ccccc4oc3=O)cc2)cc1OC 2320507020 WYPITYQKJQEALU-UHFFFAOYSA-N 453.450 5.094 50 10 JKGE CCOc1c(Cl)cc(C=NNC(=O)c2ccc3nc(-c4ccccc4)[nH]c3c2)cc1Cl 2323744952 RRFVECSYROAWBK-UHFFFAOYSA-N 453.329 5.699 50 10 JKGE CCCCCOc1c(OC)cc(C=C(C#N)c2nc(-c3cccs3)cs2)cc1[N+](=O)[O-] 2323831812 GWVQKLZQDAEVNJ-UHFFFAOYSA-N 455.561 6.422 50 10 JKGE COc1cc2nc(C(C#N)=Cc3ccccc3OCc3ccc(C)cc3)nc(O)c2cc1OC 2331039589 VVWXWOCMZLXTBS-UHFFFAOYSA-N 453.498 5.304 50 10 JKGE N#CC(=C(O)c1cc(C(F)(F)F)cc(C(F)(F)F)c1)c1nc(-c2ccc(F)cc2F)cs1 2331292807 KCAFDTFYWLCJFI-UHFFFAOYSA-N 476.348 7.076 50 10 JKGE Cc1ccc(C)c(-c2csc(C(C#N)=C(O)c3cc(C(F)(F)F)cc(C(F)(F)F)c3)n2)c1 2331319799 MTNMSGSNURJAAD-UHFFFAOYSA-N 468.422 7.414 50 10 JKGE COc1cc(C)c(-c2csc(C(C#N)=C(O)C=Cc3ccccc3Cl)n2)cc1C(C)C 2331353992 WOQJGRPNJYNWGX-UHFFFAOYSA-N 450.991 7.410 50 10 JKGE CCOc1cc(C(O)=C(C#N)c2nc(-c3ccc(OC)c(C)c3C)cs2)cc(OCC)c1OCC 2331361449 VJKJJPFMHALCRK-UHFFFAOYSA-N 494.613 6.582 50 10 JKGE COc1ccc(Cl)cc1C(O)=C(C#N)c1nc(-c2cc(Cl)cc(Cl)c2OC)cs1 2331362604 HFLYOYPKUSTRIQ-UHFFFAOYSA-N 467.761 6.737 50 10 JKGE COc1c(C)cc(Cl)cc1-c1csc(C(C#N)=C(O)[C@H](C)Oc2ccc(Cl)cc2)n1 2331392270 LHSJQEDLSCABCL-ZDUSSCGKSA-N 461.370 6.694 50 10 JKGE CCCCCCCOc1ccc(-c2csc(C(C#N)=Cc3ccc(OC)cc3OC)n2)cc1 2331460706 XMTSCUPNSJOEGD-UHFFFAOYSA-N 462.615 7.241 50 10 JKGE COc1ccc([C@@H](Cl)c2ccc(OCc3ccccc3)cc2Br)cc1Br 2336082300 YZJOBQMJNQCYKQ-OAQYLSRUSA-N 496.626 7.127 50 10 JKGE Cc1cc(I)c(Oc2cccc(Br)c2CCl)cc1Cl 2336561576 RQHDTWMOYQJPFC-UHFFFAOYSA-N 471.947 6.547 50 10 JKGE Fc1c(Br)cc(Cl)c([C@H](Br)C[C@H]2CC[C@@H]3C[C@@H]32)c1Br 2337081624 ABDMEUPXMVVBSR-LURQLKTLSA-N 475.421 6.876 50 10 JKGE Fc1ccc(OCc2cc(I)ccc2Br)c(CCl)c1 2341780975 SSTNNSCHXWOSEW-UHFFFAOYSA-N 455.492 5.511 50 10 JKGE FC[C@]12C[C@]([C@@H](Br)c3c(F)cc(Cl)c(Br)c3Cl)(CO1)C2 2360485020 XSVDGAQDENHHMC-AVGNSLFASA-N 450.932 5.850 50 10 JKGE FC1(F)C2(CC2)C12CC([C@@H](Br)c1ccc(OCc3ccccc3)cc1Br)C2 2361172697 QECKLXPTNDZKKS-QOSBUDKSSA-N 498.205 7.290 50 10 JKGE CCc1occc1[C@H](Br)c1c(C)cc(Br)c(OC)c1Br 2365187922 FWWGMUXRORBUOG-ZDUSSCGKSA-N 466.995 6.168 50 10 JKGE Cc1cc(Br)c(F)c(Br)c1[C@H](Br)C1CC2(CCCC2)C1 2365222520 DUAMSEOSOKGBEL-CYBMUJFWSA-N 469.030 7.066 50 10 JKGE Cc1ccc([C@@H](Cl)c2c(C)cc(Br)c(F)c2Br)c(Br)c1 2365224162 VDDNEUAUYGZWQQ-CQSZACIVSA-N 485.416 7.058 50 10 JKGE COc1c(Br)cc(C)c([C@H](Br)[C@@H]2C[C@H]3CC[C@@H]2O3)c1Br 2365234758 KAFFEEHEYFWBFK-MBJVOQIVSA-N 469.011 5.532 50 10 JKGE CC(C)(C)c1ccc([C@H](Br)c2ccc(Cl)cc2I)cc1 2365596998 CIXFGMGODZLHIZ-INIZCTEOSA-N 463.584 6.726 50 10 JKGE O=C(N[C@@H](CCBr)COCc1ccccc1)c1ccc2cc(Br)ccc2c1 2369431706 VAXOGXCXVHIUIV-NRFANRHFSA-N 491.223 5.703 50 10 JKGE C[C@]1(NC(=O)c2cc(Br)c(Br)s2)C[C@H]2CC[C@H]1C[C@H]2Br 2380891367 HUOURQAUKJUYKD-XULOGPSESA-N 486.067 5.345 50 10 JKGE CC(C)(C)Oc1ccc([C@@H](Br)c2cscc2Br)cc1Br 2381300325 WFCURGPTPSZKNO-CQSZACIVSA-N 483.063 6.935 50 10 JKGE COc1cccc(/C=C(\C#N)C(=O)Nc2ccc([N+](=O)[O-])cc2)c1OCc1ccc(Cl)cc1Cl 12600458 GZDWAFPUEVSPOS-GZTJUZNOSA-N 498.322 6.035 50 10 JKGE O=C(CCCNc1ccc(Br)cc1)NN=C(Cc1ccccc1)Cc1ccccc1 20826767 XRIOKQRUDCWLTK-UHFFFAOYSA-N 464.407 5.599 50 10 JKGE COc1ccc(/C(C#N)=C\c2ccc(OC(=O)/C=C/c3ccc(F)cc3)c(OC)c2)cc1OC 31902091 FZKGAKYLJHSKQE-GXOHKFNASA-N 459.473 5.534 50 10 JKGE Cc1ccc(Cc2cnc(NC(=O)/C(C#N)=C\c3ccc(-c4ccccc4Cl)o3)s2)cc1Cl 33339801 UESBTTDUGPFQEW-ATVHPVEESA-N 494.403 7.155 50 10 JKGE CCOc1cc(/C=C(\C#N)c2ccc([N+](=O)[O-])cc2)ccc1OCc1ccc(Cl)cc1Cl 33347197 HHMRMVINDJXETF-YBFXNURJSA-N 469.324 6.943 50 10 JKGE N#CC1=C(N)Oc2cc(OC(=O)c3ccc(Cl)cc3)ccc2[C@H]1c1cccc(Br)c1 38651457 YBERJMRGKVNWNK-OAQYLSRUSA-N 481.733 5.540 50 10 JKGE Cc1c(C(=O)Oc2ccc(Cl)cc2Cl)oc2c1/C(=N/NC(=O)c1ccc(Cl)cc1)CCC2 40811702 TXKQTUMGPSESHS-WPWMEQJKSA-N 491.758 6.238 50 10 JKGE CCOC(=O)/C(C#N)=C/c1cccc(OC(=O)/C=C/c2ccc(OCc3ccccc3C)c(OC)c2)c1 40926994 XVNXBMAFIPPIMW-WHEXEGOWSA-N 497.547 5.672 50 10 JKGE CCCCOc1ccc(/C=C(\C#N)C(=O)Oc2cccc(N3C(=O)c4ccccc4C3=O)c2)cc1 40948064 OIZWPFPYKOWXHD-CAPFRKAQSA-N 466.493 5.179 50 10 JKGE N#C/C(=C/c1cc(Cl)ccc1OCc1ccc(Cl)cc1Cl)C(=O)Nc1ccc(Cl)cc1 59145784 XWMJPCAFEGMDSC-SXGWCWSVSA-N 492.189 7.425 50 10 JKGE O=C(N/N=C(/CSc1nc2ccccc2o1)c1ccc(-c2ccccc2)cc1)c1ccccc1 59460616 YROJHJWTTCLUBF-JVCXMKTPSA-N 463.562 6.421 50 10 JKGE CCOC(=O)c1c(N/C=C(\C#N)c2nc(-c3cccc([N+](=O)[O-])c3)cs2)sc(C)c1C 102924746 MSZMHDSWEXFPRR-XNTDXEJSSA-N 454.533 5.550 50 10 JKGE CCOC(=O)/C(C#N)=C1/S[C@H](Cc2cccc(Cl)c2)C(=O)N1c1ccc(Br)cc1 102974647 VGWIQMDQZYYGSL-GMQRBVGNSA-N 491.794 5.092 50 10 JKGE COc1cc(OC)cc([C@H](Br)c2cc(Br)sc2Br)c1 104040374 SZQYKDXKJWUJLJ-LBPRGKRZSA-N 471.008 5.775 50 10 JKGE COc1c(Br)cc(Cl)cc1[C@H](Cl)c1cc(Br)ccc1Cl 109794699 WAORHFVWWYTTEQ-CYBMUJFWSA-N 459.392 6.855 50 10 JKGE COc1ccc(CC[C@H](Br)c2cc(Br)ccc2Br)cc1 109844519 RQUMYTAZBNJIBV-HNNXBMFYSA-N 463.007 6.289 50 10 JKGE BrCC(CBr)(CCSc1ccccc1)c1cccc(Br)c1 118878835 WVRNQTZZVZQIEP-UHFFFAOYSA-N 493.102 6.659 50 10 JKGE O=C(Nc1ccc(CBr)cc1)c1cc(Br)c(Br)s1 122163745 FNQOUULBSIQPLK-UHFFFAOYSA-N 453.981 5.420 50 10 JKGE Fc1ccc([C@H](Cl)c2cc(Br)c(Br)s2)cc1C(F)(F)F 128283876 JNKMHRCVIVOANG-JTQLQIEISA-N 452.492 6.759 50 10 JKGE Clc1ccc([C@H](Br)c2cc(Br)ccc2Br)c2ccccc12 161111746 OSZILHVYVMXODP-KRWDZBQOSA-N 489.432 7.503 50 10 JKGE CCOc1cc(Cl)c([C@@H](Br)c2cc(F)ccc2Br)cc1Cl 164554354 YRPVEDKLOAKLPF-HNNXBMFYSA-N 456.964 6.778 50 10 JKGE COc1cc(/C=C(/C#N)C(=O)NCc2ccccc2)ccc1OC(=O)COc1cccc(C(C)C)c1 206399690 GCLSFCOTYYGCLJ-OYKKKHCWSA-N 484.552 5.026 50 10 JKGE COc1cc(/C=C(/C#N)c2nc(-c3cccs3)cs2)ccc1OCC(=O)Nc1nccs1 214016752 HEWXAOBYHUNXOS-DHDCSXOGSA-N 480.596 5.418 50 10 JKGE CCCCCN1C(=O)C(C#N)=C(C)/C(=C/c2cn(-c3ccccc3)nc2-c2ccc(F)cc2)C1=O 214232347 KJCRBUCZCALLLB-JLPGSUDCSA-N 468.532 5.461 50 10 JKGE CCCCCN1C(=O)C(C#N)=C(C)/C(=C/c2ccc(OCc3ccccc3F)c(OC)c2)C1=O 214238378 KVYHFCNQPGQCCK-STZFKDTASA-N 462.521 5.196 50 10 JKGE COc1ccc([C@H](Cl)c2ccc(Br)c(Cl)c2)c(OC)c1Br 224833742 NULZROBDXKPURM-CQSZACIVSA-N 454.973 6.210 50 10 JKGE COc1ccc(Br)cc1[C@@H](Cl)c1ccc(Br)cc1Br 234844737 IWNLOHOTIQHIKR-AWEZNQCLSA-N 469.398 6.311 50 10 JKGE Fc1cc(Br)cc(Oc2ccc(Br)cc2CBr)c1F 236153664 LLXOBDTZENRKEN-UHFFFAOYSA-N 456.906 6.177 50 10 JKGE CCCCCOc1ccc(C=NNC(=O)c2ccn(Cc3ccc(Cl)cc3Cl)n2)cc1 252624771 PURGRMQRJCMPBK-UHFFFAOYSA-N 459.377 5.571 50 10 JKGE CCN(CC)c1ccc(C=NNC(=O)Cc2csc(Nc3cccc(C(F)(F)F)c3)n2)cc1 252627617 RXYZQWIQMAPVPX-UHFFFAOYSA-N 475.540 5.445 50 10 JKGE O=C(NN=Cc1ccccc1C(F)(F)F)/C(=C/C=C\c1ccccc1)NC(=O)c1ccccc1 252631161 VJBWBRFGDXMUAY-VBBQZFPJSA-N 463.459 5.183 50 10 JKGE O=C(NN=Cc1c(OC(=O)c2ccc(Cl)cc2)ccc2ccccc12)c1ccc([N+](=O)[O-])cc1 252637208 XQFQFDSFKOJEKZ-UHFFFAOYSA-N 473.872 5.385 50 10 JKGE O=C(OCC(=O)N(N=Cc1ccccc1)c1cccc(C(F)(F)F)c1)c1ccc(OC(F)F)cc1 254525357 QMLWNBXHMNQSRK-UHFFFAOYSA-N 492.400 5.531 50 10 JKGE CCOc1ccc(C(=O)NN=Cc2c(OC(=O)c3ccc(C)cc3)ccc3ccccc23)cc1 254744016 KPKSLDPKIFUSAV-UHFFFAOYSA-N 452.510 5.530 50 10 JKGE CCC[C@H](Cl)[C@H](CC)COC(=O)c1ccccc1C(=O)OC[C@H](CC)C[C@@H](Cl)CC 256071388 BQQJWMBDFUILPD-IWQHBPENSA-N 459.454 6.868 50 10 JKGE BrCc1ccc(I)c2c(I)csc12 307486414 AXOYFJJKJMXLNG-UHFFFAOYSA-N 478.918 5.005 50 10 JKGE O=C(OCc1ccccc1)N1C[C@@H](CCl)[C@H](c2cc(Cl)ccc2I)C1 382727756 RQBNHOBVQXTICA-RHSMWYFYSA-N 490.168 5.536 50 10 JKGE Fc1cc(Br)c([C@H](Br)c2ccc(OCc3ccccc3)cc2)c(F)c1F 398511159 HIHCTCGJIVVUHV-GOSISDBHSA-N 486.125 6.930 50 10 JKGE Cl[C@H]1[C@@H](Cc2ccccc2)[C@@H](C(c2ccccc2)(c2ccccc2)c2ccccc2)[C@H]1Cl 575629644 BQLRFGJJPAVZGS-ICYKMPLBSA-N 457.444 7.725 50 10 JKGE Cn1cc([C@H](Br)c2scc(C(F)(F)F)c2Br)nc1Br 698451493 QZTLMUXSRVILPP-ZETCQYMHSA-N 482.945 5.510 50 10 JKGE CCOc1ccc(Br)cc1[C@H](Br)c1cn(CC)c(Br)n1 710753004 PBPXRJPOPMZFJL-ZDUSSCGKSA-N 466.999 5.311 50 10 JKGE BrCc1c(Br)cccc1N1CC[C@H]2[C@H](CCCN2Cc2ccccc2)C1 715015551 QQAMZGMTWNUDFS-NQIIRXRSSA-N 478.272 5.835 50 10 JKGE Fc1cc(Br)cc(CBr)c1OCc1sccc1Br 715790538 BBEFAMYLDFERPY-UHFFFAOYSA-N 458.972 5.886 50 10 JKGE COc1ccc(Br)cc1[C@@H](Br)c1ccc(C)c(Br)c1C 719545558 NRNDXJNZDRJTGG-INIZCTEOSA-N 463.007 6.321 50 10 JKGE COC[C@@H](CC(CBr)(CBr)c1ccc(Br)cc1)C(C)C 721849660 BPEPYZWJKBTBQE-CYBMUJFWSA-N 471.071 5.785 50 10 JKGE C[C@@H]1CN(Cc2ccccc2)C[C@@H]1CCn1c(CCl)nc2cc(I)ccc21 723746789 WRLNEYHOIUTTNJ-AEFFLSMTSA-N 493.820 5.538 50 10 JKGE Cc1cccc([C@@H](Cl)c2sc(C)c(Br)c2C)c1I 724985785 VCYVUTTXPJYUJL-GFCCVEGCSA-N 455.586 6.369 50 10 JKGE Cc1ccc(COc2ccccc2C=NNC(=O)c2ccc(-n3c(C)ccc3-c3ccccc3)cc2)cc1 1083902713 VCWLNDDJEUKKIG-UHFFFAOYSA-N 499.614 7.104 50 10 JKGE C=CCOc1ccc(Br)cc1C=NNC(=O)[C@@H](C)Oc1ccc(OCCCCC)cc1 1083912425 BFCIIIBMPXBMDD-GOSISDBHSA-N 489.410 5.501 50 10 JKGE O=C(CCCNc1ccc(Cl)cc1)NN=Cc1ccccc1OCc1ccccc1Cl 1083998191 WMIMCYOBQINIRR-UHFFFAOYSA-N 456.373 5.915 50 10 JKGE Cc1cc(C=NNC(=O)C(=O)Nc2ccc(Cl)c(Cl)c2)c(C)n1-c1cccc(Cl)c1 1084012860 ZTBLVLGRFGPRAH-UHFFFAOYSA-N 463.752 5.143 50 10 JKGE C=CCc1cc(/C=C(\C#N)C(=O)Nc2cccc(Cl)c2Cl)cc(Br)c1OC 1084427046 FAQQFXHFQQVOPH-NTEUORMPSA-N 466.162 6.039 50 10 JKGE Cc1cccc(-n2c(C)c(Br)c(C=NNC(=O)CSCc3ccccc3)c2C)c1 1084607602 JNPYEWRKTQZYAK-UHFFFAOYSA-N 470.436 5.549 50 10 JKGE CCOc1cc(/C=C(/C#N)C(=O)Nc2cccc([N+](=O)[O-])c2)ccc1OCc1ccc(F)cc1 1084629605 NLCBMEFKJYDQFZ-UNOMPAQXSA-N 461.449 5.257 50 10 JKGE Cc1ccc2c(CC(=O)NN=C3CCCc4oc(C(=O)N5CCCCCC5)c(C)c43)coc2c1C 1772751589 GNKQPGRRWSYTTA-UHFFFAOYSA-N 475.589 5.367 50 10 JKGE O=C(Nc1ncccc1OCCC(=O)c1ccc(Br)cc1)Oc1ccc([N+](=O)[O-])cc1 1858694364 ZGJSPVZGFHGELI-UHFFFAOYSA-N 486.278 5.015 50 10 JKGE CC(C)(C)c1ccc([C@H]2C(C#N)=C(N)Oc3c2c(C(F)(F)F)nn3Cc2cccc(F)c2)cc1 1865682050 DTMJWGSBBZEQTA-IBGZPJMESA-N 470.470 5.605 50 10 JKGE CCCc1nn(Cc2cccc(F)c2)c2c1[C@H](c1cccc(Br)c1)C(C#N)=C(N)O2 1865684199 NEIKGWOSDFNOSJ-HXUWFJFHSA-N 467.342 5.004 50 10 JKGE CCCCOc1ccc([C@H]2C(C#N)=C(N)Oc3c2c(C)nn3Cc2cc(C)ccc2C)cc1OCC 1865687399 QJFVMYXOMXCTDT-MHZLTWQESA-N 486.616 5.652 50 10 JKGE CCCCOc1ccc([C@@H]2C(C#N)=C(N)Oc3c2c(CC)nn3Cc2ccc(C)cc2)cc1OC 1865697626 YKPBGNRJMPWICB-RUZDIDTESA-N 472.589 5.208 50 10 JKGE CCCc1nn(-c2ccccc2Cl)c2c1[C@H](c1cc(Br)ccc1F)C(C#N)=C(N)O2 1865701913 HZMQUBLKAKYFBO-LJQANCHMSA-N 487.760 5.598 50 10 JKGE CCc1nn(C)c2c1[C@@H](c1ccc(OCc3ccc(Cl)cc3Cl)c(OC)c1)C(C#N)=C(N)O2 1865703950 JJVIULPEGKLNDT-NRFANRHFSA-N 485.371 5.095 50 10 JKGE COc1ccc([C@H](NC(=O)/C(C#N)=C/c2cccc(Br)c2)c2nc(C)cs2)cc1 1866130709 HZCATLSCVLWSEH-YZILGEIOSA-N 468.376 5.035 50 10 JKGE CC(C)Cc1nc(C(=O)N[C@@H](C(=O)Nc2ccc(SC#N)cc2)c2ccccc2)c2ccccn12 1866865002 LRGRGOFOQCUJMM-XMMPIXPASA-N 483.597 5.216 50 10 JKGE CC[C@@](C)(NC(=O)[C@H](C)c1ccc(Br)cc1)C(=O)Nc1ccc(SC#N)cc1 1866943421 BUOKXMLKQZXTMS-SPLOXXLWSA-N 460.397 5.049 50 10 JKGE COc1ccc(OC)c(/C=C2\Oc3cc(OCc4ccc(CCl)cc4)cc(C)c3C2=O)c1 1871437087 XTKTXHUTZDUTMY-MSXFZWOLSA-N 450.918 5.946 50 10 JKGE COc1cc2nc(/C(C#N)=C/c3ccc(OCc4ccccc4F)c(OC)c3)nc(O)c2cc1OC 1872727614 OBCRJHKOZYYGKY-VCHYOVAHSA-N 487.487 5.143 50 10 JKGE CCOc1cc(/C=C(\C#N)c2nc3cc(C)ccc3n2C)ccc1OCc1ccccc1Cl 1872728382 ZOBLACPHYPZMSG-KGENOOAVSA-N 457.961 6.577 50 10 JKGE COc1cccc(/C=C(\C#N)c2ccccc2[N+](=O)[O-])c1OCc1ccc(Cl)c(Cl)c1 1872729625 VQFSFLNJRSDACL-SFQUDFHCSA-N 455.297 6.553 50 10 JKGE CCOc1ccc(/C=C(C(/O)=C(\C#N)c2nc(-c3ccc(OCC)cc3)cs2)\c2ccccc2)cc1 1872747774 SYHBKXVQIQWZMF-MMMOHEILSA-N 494.616 7.641 50 10 JKGE N#C/C(=C(/O)CNC(=O)c1ccc(Cl)cc1Cl)c1nc(-c2ccc3c(c2)OCCO3)cs1 1872750409 DMZBDDVASQZXGH-SDXDJHTJSA-N 488.352 5.111 50 10 JKGE CC(C)C[C@H](/C(O)=C(\C#N)c1nc(-c2ccc(F)c(F)c2)cs1)N1C(=O)c2ccccc2C1=O 1872751346 CSVSNKCREWZXCK-DGNXNODXSA-N 479.508 5.592 50 10 JKGE COc1cc(Cl)c(C)cc1-c1csc(/C(C#N)=C(O)/C=C/c2ccc(Cl)cc2Cl)n1 1872757252 WZFGWMPRLMOADR-IQHVPDIVSA-N 477.800 7.593 50 10 JKGE CCc1cccc(C)c1N1C[C@H](/C(O)=C(\C#N)c2nc(-c3ccc(OC)c(Cl)c3)cs2)CC1=O 1872757513 JMGIAZHBWFIROA-FCQUGJPQSA-N 494.016 6.189 50 10 JKGE CCCCCCCOc1ccc(-c2csc(/C(C#N)=C/c3cc(Cl)c(O)c(OC)c3)n2)cc1 1872791623 OMNAYJMOULJZGA-DEDYPNTBSA-N 483.033 7.591 50 10 JKGE COc1cc(C)c(-c2csc(/C(C#N)=C/c3ccc(OCc4ccc(C)cc4)cc3)n2)cc1C(C)C 1872793281 RSKBDZCEPUOMCU-MFKUBSTISA-N 494.660 8.202 50 10 JKGE C[C@@H](COc1c(Br)cc(CBr)cc1Br)OC(C)(C)C 1876993839 CMFHXPNFKNUNDK-VIFPVBQESA-N 459.016 5.689 50 10 JKGE Cl[C@H](c1sc(Br)cc1Br)c1sccc1I 1922919955 BCOHUJGQYXOFMZ-SSDOTTSWSA-N 498.430 6.267 50 10 JKGE Cc1cc([C@H](Cl)c2c(Br)sc(Br)c2Br)c(F)cc1F 1924599598 JRNVYGBYJYCGLA-JTQLQIEISA-N 495.408 6.950 50 10 JKGE C[C@H]1CN(c2ccc(CBr)c(Br)c2)[C@@H](C)CN1Cc1ccccc1 1946784188 XRSKJZZBBWUCOT-HOTGVXAUSA-N 452.234 5.443 50 10 JKGE CC(C)(C)OC(=O)N1C[C@H](Br)[C@@H](OCc2cc(Cl)ccc2Br)C1 1993166058 ODEJMHWAEHXAQH-KBPBESRZSA-N 469.601 5.002 50 10 JKGE CC(C)(F)[C@](C)(F)[C@H](Cl)c1c(Br)sc(Br)c1Br 2003230349 GFPKDDHHTMQGTK-LHLIQPBNSA-N 475.418 6.792 50 10 JKGE Fc1ccc(I)cc1[C@H](Cl)c1cc(Br)c(Cl)s1 2003649227 HYROYVDJEMOIOD-JTQLQIEISA-N 465.940 6.236 50 10 JKGE CC1(C)CCC([C@H](Cl)c2c(Br)sc(Br)c2Br)CC1 2039359481 KNDLYFJVIGQSPT-JTQLQIEISA-N 479.503 7.532 50 10 JKGE CC1(C)CCC[C@H]([C@@H](Cl)c2c(Br)sc(Br)c2Br)C1 2049572637 BGKDDPPMQWGSLT-OIBJUYFYSA-N 479.503 7.532 50 10 JKGE O=S(=O)(c1cc(CBr)c(Cl)cc1Cl)N(Cc1ccccc1)CC(F)F 2059289326 PSDWOZGHUPCBPT-UHFFFAOYSA-N 473.166 5.344 50 10 JKGE CC(C)(C)c1ccc(Cn2nc(CCl)c(I)c2C(F)(F)F)cc1 2079212247 NIDURKCKAPTRED-UHFFFAOYSA-N 456.677 5.591 50 10 JKGE Cc1c(Br)ccc([C@@H](Cl)c2ccccc2OCc2ccccc2)c1Br 2083330161 LQRZBFHFCHKIRC-NRFANRHFSA-N 480.627 7.427 50 10 JKGE O=C(c1csc(Br)c1Br)N1CCC[C@@H](CCBr)CC1 2093941949 GVSGCWMXGGVVEN-VIFPVBQESA-N 474.056 5.300 50 10 JKGE ClCc1cccc(OCc2c(Br)cccc2Br)c1Br 2094093190 NVDPRXQTAQXLLG-UHFFFAOYSA-N 469.398 6.292 50 10 JKGE CCN(c1c(CCl)ccc(Br)c1Cl)C1CCN(Cc2ccccc2)CC1 2098118614 WFGSKDJQCSIYED-UHFFFAOYSA-N 456.255 6.332 50 10 JKGE CCCOc1ccc([C@H](Br)c2cscc2OCc2ccccc2)cc1Br 2100091079 GMQPUFZAOLWQED-NRFANRHFSA-N 496.264 7.363 50 10 JKGE Cc1cc(Br)sc1CN(C)c1cc(Br)ccc1CBr 2100769538 ZQLQVAQDDQBBGR-UHFFFAOYSA-N 468.052 6.113 50 10 JKGE CC[C@H](Br)[C@@H]1CCCCN1C(=O)c1cc(Br)sc1Br 2114193427 OMDJPNNODARHQP-UWVGGRQHSA-N 474.056 5.441 50 10 JKGE Fc1cc(Br)c([C@H](Br)c2cc(Br)c(Cl)s2)c(F)c1F 2115927924 GVNURVFVAVKZOE-MRVPVSSYSA-N 499.371 6.828 50 10 JKGE F[C@H](CBr)C1CCN(Cc2cc(Br)ccc2Br)CC1 2118529336 NVYYCQZRUUOGJB-CQSZACIVSA-N 458.007 5.157 50 10 JKGE CN(C(=O)c1csc(Br)c1Br)[C@H](CCBr)C(F)(F)F 2122003423 UWORBHQEYCQMRI-ZCFIWIBFSA-N 487.961 5.061 50 10 JKGE C[C@H](c1cc(Br)cs1)N(C)c1cccc(Br)c1CBr 2130021202 IVGWNIKCDMFBEH-SECBINFHSA-N 468.052 6.365 50 10 JKGE COc1cc(Cl)ccc1[C@H](Br)c1ccc(Br)cc1Br 2138853479 QSYHLJZPKITDLD-CQSZACIVSA-N 469.398 6.358 50 10 JKGE Cc1c(Br)ccc([C@H](Br)[C@@H]2CCC[C@@H](C)CC2)c1Br 2138874856 ZRSUWDJNFLJGOE-NSODJVPESA-N 453.056 7.172 50 10 JKGE Cc1ccc(F)c([C@@H](Br)c2ccc(Br)c(C)c2Br)c1 2138875283 DKUQENIAXVSKKA-HNNXBMFYSA-N 450.971 6.452 50 10 JKGE Fc1cc(Cl)c([C@H](Br)c2ccc(Br)cc2Br)cc1Cl 2139427183 VKCGFFQNXQRPGK-CYBMUJFWSA-N 491.807 7.142 50 10 JKGE C[C@H](Cl)c1nc2cncc(Br)c2n1-c1ccc(I)cc1 2151780204 MBAZUNQLIHBSKX-QMMMGPOBSA-N 462.516 5.087 50 10 JKGE ClCc1nc2cncc(Br)c2n1-c1c(Br)cccc1Br 2151790084 MBCVZJNBMQFPSM-UHFFFAOYSA-N 480.385 5.447 50 10 JKGE CCOc1ccc(Br)cc1[C@@H](Cl)c1cc(I)ccc1F 2169667726 IPWBYSAHNGZUBI-HNNXBMFYSA-N 469.519 5.920 50 10 JKGE C[C@@H](N(Cc1ccccc1)S(=O)(=O)c1ccc(F)c(CBr)c1F)C(C)(C)C 2179859937 KYLQFFYNZRBGQU-CQSZACIVSA-N 460.384 5.485 50 10 JKGE COC1(C(F)(F)F)CC([C@H](Cl)c2c(Br)sc(Br)c2Cl)C1 2182019959 OERRDNVAQCMGBI-SIPCTPOTSA-N 476.967 6.564 50 10 JKGE CCc1nn(C)c([C@@H](Br)c2ccc(OC)c(Br)c2)c1Br 2192385566 UWVLZEFKTOPXGO-LBPRGKRZSA-N 466.999 5.000 50 10 JKGE COc1cc(Cl)c([C@H](Br)c2cc(Cl)ccc2Cl)cc1Br 2202345327 CNTVHRPCMYVSIM-CQSZACIVSA-N 459.392 6.902 50 10 JKGE COc1cc(F)c([C@H](Br)c2nn(C)c(Cl)c2Br)cc1Br 2202903036 YSVJPVFMTTZQEP-VIFPVBQESA-N 491.380 5.231 50 10 JKGE Cc1c(Br)ccc([C@H](Br)c2cc(Cl)c(F)cc2F)c1Br 2203683609 DRZHNDXYYFVKJH-AWEZNQCLSA-N 489.379 6.936 50 10 JKGE BrC[C@@H](C1CC1)N(Cc1ccccc1)C[C@@H]1CC1(Br)Br 2209114460 VRRIUYOHAJQMJQ-GJZGRUSLSA-N 466.055 5.168 50 10 JKGE CC[C@](C)(CCCC(C)C)O[C@](C)(CI)CNC(=O)OC(C)(C)C 2213739569 FUVIXMHUBHOLQB-RTBURBONSA-N 455.421 5.716 50 10 JKGE Cn1c([C@@H](Br)c2cc(Br)c(Br)cc2F)cnc1Cl 2218595880 BIDUNCOTEINXRZ-JTQLQIEISA-N 461.354 5.222 50 10 JKGE Fc1cc(Br)c(Br)cc1[C@H](Cl)c1cccc(Br)c1F 2225632605 DJFXANYVCSDPNA-GFCCVEGCSA-N 475.352 6.581 50 10 JKGE Fc1cc(Br)c(Br)cc1[C@@H](Br)c1cc(Cl)ccc1Cl 2225633863 LWQKHGPLPJUVDI-ZDUSSCGKSA-N 491.807 7.142 50 10 JKGE ClCc1nc2cc(Br)c(Br)cc2n1C1[C@@H]2CN(Cc3ccccc3)C[C@@H]12 2225703879 FTQGZJLIJLDYGX-ZIAGYGMSSA-N 495.646 5.603 50 10 JKGE Cc1cc(Br)c([C@H](Br)[C@H](C)[C@H]2CCCO2)c(C)c1Br 2227362946 RWGIDZCXHLJXIX-DDHOLCJHSA-N 455.028 6.080 50 10 JKGE Cc1ccc(I)c([C@H](Br)c2cc(C)c(F)cc2Cl)c1 2232220679 VYYOUQHVLKWSRH-OAHLLOKOSA-N 453.520 6.185 50 10 JKGE CCOc1ccc([C@@H](Cl)c2cc(C)ccc2I)c(Br)c1 2240999629 CIYJNGPBHKWPNK-MRXNPFEDSA-N 465.556 6.089 50 10 JKGE C[C@@H](Br)CN(Cc1ccccc1)C(=O)c1cc(Br)c(F)cc1Cl 2244169830 YWQDJPRMMNLIAP-LLVKDONJSA-N 463.572 5.667 50 10 JKGE COc1ccc([C@@H](Br)c2cc(Br)co2)cc1I 2249402516 IMSKTWYHTJOQHC-GFCCVEGCSA-N 471.914 5.140 50 10 JKGE COc1ccc([C@H](Br)c2sccc2Br)c(Br)c1Cl 2256324385 ALYJRFBZFOYTHV-JTQLQIEISA-N 475.427 6.419 50 10 JKGE CC(C)(C)CCN(CCBr)Cc1ccc(Br)cc1Br 2274237464 FEPRMBGAZVLFNF-UHFFFAOYSA-N 456.060 5.845 50 10 JKGE COc1ccc([C@@H](Cl)c2c(Cl)cccc2Br)c(Br)c1Cl 2283563854 UONLPSYNPPLLGR-CYBMUJFWSA-N 459.392 6.855 50 10 JKGE FC(F)[C@@H]1CCC[C@@H]1[C@@H](Br)c1cc(I)cc2c1OCC2 2285650305 MXWGJIFFGANION-DMDPSCGWSA-N 457.096 5.344 50 10 JKGE C[C@H](Br)CN(CCC(C)(C)C)Cc1cccc(Br)c1Br 2288152364 UYKRBLDPYOYLDG-LBPRGKRZSA-N 470.087 6.233 50 10 JKGE C[C@@H]1C[C@@H]2C[C@@H]2C[C@H]1[C@H](Br)c1c(F)cc(Br)c(F)c1Br 2288373873 NIIHTDPZLBVZON-OJMIUMIFSA-N 472.993 6.608 50 10 JKGE COc1cc(C)c(Cl)cc1[C@H](Br)c1cccc(Br)c1Br 2295357230 KAVPOFJXQSKXEE-CQSZACIVSA-N 483.425 6.666 50 10 JKGE COc1cc(C=C(C#N)C(=O)Nc2ccc(NC(C)=O)cc2)ccc1OCc1ccc(C)cc1 2295459800 ZNHOHCXJDWFTOM-UHFFFAOYSA-N 455.514 5.087 50 10 JKGE CCOc1ccc(-n2c(C)cc(C=C(C#N)C(=O)O[C@H](C(=O)N(CC)CC)c3ccccc3)c2C)cc1 2297416906 QUWDYNZZKSGUJC-NDEPHWFRSA-N 499.611 5.553 50 10 JKGE CCCCC[C@H](Br)c1c(Cl)cc(Br)c(F)c1Br 2300171963 KDLKXLGDBLPYSE-ZETCQYMHSA-N 451.399 7.020 50 10 JKGE CN(C)C(=O)C(C#N)=Cc1cc(Cl)c(OCc2ccc(Cl)cc2)c(Br)c1 2313567503 KNVCMWPNPJSZCR-UHFFFAOYSA-N 454.151 5.330 50 10 JKGE COC[C@@H]1CC[C@H]([C@H](Br)c2cc(Br)ccc2OCc2ccccc2)C1 2314441032 VLWPIIGEAJGVHP-WWMYMODYSA-N 468.229 6.527 50 10 JKGE CC1(C)CCC[C@@H]([C@@H](Br)c2ccc(OCc3ccccc3)cc2Br)O1 2314443557 KICXSEWWAHQCID-PMACEKPBSA-N 468.229 6.812 50 10 JKGE N#CC(=Cc1ccc(-c2ccc([N+](=O)[O-])cc2Cl)o1)c1nc(-c2cccc([N+](=O)[O-])c2)cs1 2314519577 UBWSGQFZGYBECY-UHFFFAOYSA-N 478.873 6.604 50 10 JKGE C[C@H](NC(=O)C(C#N)=Cc1cn(-c2ccccc2)nc1-c1ccc2c(c1)OCO2)c1ccccc1 2314522502 MDMOGXZRDQPFJT-IBGZPJMESA-N 462.509 5.052 50 10 JKGE N#CC(=Cc1ccc(-c2cc(Cl)ccc2Cl)o1)C(=O)Nc1ccc(OC(F)(F)F)cc1 2314571294 CSGQXEJOBHVEHS-UHFFFAOYSA-N 467.230 6.698 50 10 JKGE N#CC(=Cc1ccc(-c2ccc(Br)cc2)o1)C(=O)Nc1cc(Cl)ccc1Cl 2314571760 LNWDFCOSJCCMML-UHFFFAOYSA-N 462.130 6.562 50 10 JKGE C=CCNC(=O)C(C#N)=C1S[C@@H](Cc2ccc(CCCC)cc2)C(=O)N1c1ccc(OCC)cc1 2314594153 ZUFUQZISCUGZJA-VWLOTQADSA-N 489.641 5.156 50 10 JKGE CCCCOc1ccc(C=C(C#N)C(=O)Nc2nc(-c3ccc(Cl)cc3Cl)cs2)cc1 2314737620 CREIHEXFXUOFMZ-UHFFFAOYSA-N 472.397 6.841 50 10 JKGE CCOc1ccc(C=C(C#N)C(=O)Nc2nc(-c3cccc(Cl)c3)c(C)s2)cc1OC 2314754233 NOSHJCFBQFFTRT-UHFFFAOYSA-N 453.951 5.725 50 10 JKGE COc1ccc(C=C(C#N)C(=O)Nc2nc(-c3ccc(Br)cc3)c(C)s2)cc1 2314777644 OCYSRFVBYNRVDM-UHFFFAOYSA-N 454.349 5.435 50 10 JKGE Clc1cc(I)c([C@H](Br)c2ccc(C3CC3)cc2)s1 2316605002 DQDUTCIFEJVTOO-CYBMUJFWSA-N 453.570 6.368 50 10 JKGE CC[C@]1(C)[C@@H](Br)C[C@@H]1OCc1cc(I)ccc1Br 2319213259 KSJLFVLXBSNDLB-MELADBBJSA-N 488.001 5.522 50 10 JKGE Cc1nc(-c2ccc(F)c(F)c2)ccc1C(=O)NNC(=O)C=Cc1ccc(Cl)cc1Cl 2321070506 RRUJLQOJMKSBRM-UHFFFAOYSA-N 462.283 5.116 50 10 JKGE COc1cccc(C=C(C#N)c2ccccc2[N+](=O)[O-])c1OCc1c(Cl)cccc1Cl 2331066318 YLDJYNUBOZWEAW-UHFFFAOYSA-N 455.297 6.553 50 10 JKGE C[C@@H](c1ccccc1)N1C[C@@H](C(O)=C(C#N)c2nc(-c3ccc(-c4ccccc4)cc3)cs2)CC1=O 2331231898 RIMGGVONBWGJID-CPJSRVTESA-N 491.616 6.879 50 10 JKGE CCCCc1ccc(N2C[C@@H](C(O)=C(C#N)c3nc(-c4ccc(CC)cc4)cs3)CC2=O)cc1 2331245699 KZNZZVGRCQFGRY-QFIPXVFZSA-N 471.626 6.561 50 10 JKGE CCCCc1ccc(-c2csc(C(C#N)=C(O)COc3cc(C)c(Cl)c(C)c3)n2)cc1 2331256137 YAYNXGRWAHLJJG-UHFFFAOYSA-N 453.007 7.295 50 10 JKGE N#CC(=C(O)CNC(=O)c1ccc(Cl)cc1Cl)c1nc(-c2ccc(F)cc2F)cs1 2331286805 LLPWOJGGNDPCPX-UHFFFAOYSA-N 466.296 5.618 50 10 JKGE CCOc1ccc(-c2csc(C(C#N)=C(O)c3ccc4c(c3)C(=O)N([C@H](C)CC)C4=O)n2)cc1 2331305273 LAFLUFBEPFMFCY-OAHLLOKOSA-N 473.554 5.553 50 10 JKGE Cc1csc(C(C#N)=C(O)[C@@H](C)N2C(=O)c3c(Cl)c(Cl)c(Cl)c(Cl)c3C2=O)n1 2331398699 CJGSBRLRABUCHS-ZCFIWIBFSA-N 477.156 5.543 50 10 JKGE COc1cc(C)c(-c2csc(C(C#N)=C(O)CN3C(=O)COc4ccc(Cl)cc43)n2)cc1C 2331403699 DTAIGGGFSLHMOQ-UHFFFAOYSA-N 481.961 5.307 50 10 JKGE C=CCOc1ccccc1OCC(O)=C(C#N)c1nc(-c2ccc(OC)c3ccccc23)cs1 2331406479 QMUPRJXHWFNDQJ-UHFFFAOYSA-N 470.550 6.408 50 10 JKGE COc1ccc(-c2csc(C(C#N)=C(O)c3cc([N+](=O)[O-])ccc3Cl)n2)c2ccccc12 2331409015 ISMRDCMMZIPUQD-UHFFFAOYSA-N 463.902 6.483 50 10 JKGE N#CC(=Cc1cc(Br)cc(Br)c1O)c1nc(-c2cccs2)cs1 2331450895 PFHTWNJNZIVYAN-UHFFFAOYSA-N 468.195 6.166 50 10 JKGE COc1cc(-c2csc(C(C#N)=Cc3ccc(C(F)(F)F)cc3)n2)c(OC)cc1Cl 2331471708 AEEXCTGCASMYPP-UHFFFAOYSA-N 450.869 6.564 50 10 JKGE Fc1cc(Br)c(F)c(Br)c1[C@@H](Br)[C@H]1[C@@H]2CCCO[C@@H]21 2334720362 VAHBUBKILNFZES-BIOHDNSGSA-N 460.938 5.351 50 10 JKGE C[C@@]1([C@@H](Br)c2cc(Br)ccc2OCc2ccccc2)CCCC(F)(F)C1 2336072495 MTDKCZHEVXBRCZ-VQTJNVASSA-N 488.210 7.680 50 10 JKGE Cc1cc(I)c(Oc2c(Cl)cccc2CBr)cc1Cl 2336560017 ZYIKVRQNHRDVME-UHFFFAOYSA-N 471.947 6.594 50 10 JKGE Fc1cccc(CBr)c1OCc1ccc(Cl)c(I)c1 2337277464 UEJJOURORKYJMZ-UHFFFAOYSA-N 455.492 5.558 50 10 JKGE COc1cc(C)c(Br)c(C)c1[C@H](Br)c1cnsc1Br 2337307963 OPTSJFSHKWAWPN-GFCCVEGCSA-N 470.024 5.778 50 10 JKGE Cc1ccc(C)c(C[C@@H](Br)c2c(Br)c(Br)nn2C)c1 2338691806 WRSGKJWMJPWABH-LLVKDONJSA-N 451.000 5.241 50 10 JKGE Cc1cc(Br)c(F)c(Br)c1[C@H](Br)[C@@]12CCC[C@H]1CC2 2339659760 WILOVTGTWTVUDF-ULKVUYOBSA-N 455.003 6.675 50 10 JKGE Clc1cc(Cl)cc(CC[C@@H](Br)c2ccccc2I)c1 2341181121 RPHXVAMMJSPYLK-CQSZACIVSA-N 469.975 6.667 50 10 JKGE ClCC12CCC(NCc3ccc(I)c(Br)c3)(CC1)C2 2349835581 JWEHDIBHEQHCQW-UHFFFAOYSA-N 454.577 5.085 50 10 JKGE Cl[C@H]1CCCC[C@@H]1CCNCc1ccc(I)c(Br)c1 2349836180 LVZNTBYXYAWRDY-OCCSQVGLSA-N 456.593 5.331 50 10 JKGE Fc1ccc(NCc2ccc(I)c(Br)c2)cc1CCl 2349841626 JVYJEOWBQMLKBM-UHFFFAOYSA-N 454.508 5.544 50 10 JKGE CCc1cc(Br)c(OC)c([C@H](Br)c2csc(Br)c2)c1 2353045931 OLTVVMSJGVAFNX-CYBMUJFWSA-N 469.036 6.328 50 10 JKGE Clc1cc(Br)c([C@@H](Br)[C@@H]2OC[C@@H]3CCC[C@@H]32)c(Cl)c1Cl 2358468444 HUNSTURSWXEQMN-PUDGGNRWSA-N 463.424 6.660 50 10 JKGE Fc1c(Br)cc(Cl)c([C@@H](Br)CCC2CCCCC2)c1Br 2362228076 ATBSURYETOYHGM-JTQLQIEISA-N 491.464 7.801 50 10 JKGE Cc1cc(Br)c(F)c(Br)c1[C@@H](Br)C[C@@H]1CCC12CCC2 2365192835 XHXGNYCICZNIKE-QWRGUYRKSA-N 469.030 7.066 50 10 JKGE COc1c(Br)cc(C)c([C@@H](Br)c2cc(C)oc2C)c1Br 2365232838 RNWMCIBVTRFTKS-ZDUSSCGKSA-N 466.995 6.223 50 10 JKGE COc1cccc(OCc2cc(I)ccc2Cl)c1CBr 2380522087 KSDJWRFTLFDPQQ-UHFFFAOYSA-N 467.528 5.427 50 10 JKGE COc1ccc(/C(C#N)=C\c2cccc(OC(=O)c3ccc(-n4cccc4)cc3)c2)cc1OC 31902973 QYJROKBFHMWYMC-KQWNVCNZSA-N 450.494 5.778 50 10 JKGE Cc1nn(-c2ccccc2)c(O)c1/C=N\NC(=O)COc1ccc(C(C)(C)CC(C)(C)C)cc1 33154948 NIEPLZMPTLRIRE-NTFVMDSBSA-N 462.594 5.129 50 10 JKGE CCOC(=O)/C(C#N)=C/c1cn(-c2ccccc2)nc1-c1ccc(OCc2ccccc2F)cc1 33375101 IVIVKKRLUSTLMI-CJLVFECKSA-N 467.500 5.727 50 10 JKGE CCCCOc1cccc(C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@@H]3c2ccc(CC)cc2)c1 38677463 HODZKPXOHXVNKN-HHHXNRCGSA-N 468.553 5.865 50 10 JKGE CCCCCOc1cccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4ccc(OCC)cc4)ccc32)c1 38684802 NINFXQKSMSIQAN-MUUNZHRXSA-N 498.579 6.092 50 10 JKGE CCCCOc1cccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4ccc(Cl)cc4)ccc32)c1 38685066 ACZNBQRZRCRKEK-RUZDIDTESA-N 474.944 5.956 50 10 JKGE C=CCOc1ccc(-c2nn(-c3ccccc3)cc2/C=C(\C#N)C(=O)Nc2cccc(OC)c2)c(C)c1 39983466 CSKMYFPUZFEDGU-OQKWZONESA-N 490.563 5.967 50 10 JKGE CCOc1cccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)COc4ccc(C(C)C)cc4)ccc32)c1 40530182 FESVCGSOZIKKBT-NDEPHWFRSA-N 484.552 5.411 50 10 JKGE CCCCCCOc1ccc(/C=C(\C#N)C(=O)Nc2ccc(C(=O)OC(C)C)cc2)cc1OC 40853616 PLTUSJSVMJEBTG-CJLVFECKSA-N 464.562 5.765 50 10 JKGE CCCOc1ccc(/C=N/NC(=O)COc2ccc(Br)cc2C(C)(C)C)cc1OC 40910919 JFHJBRUAFULPJA-AFUMVMLFSA-N 477.399 5.073 50 10 JKGE COc1cc(/C=C(/C#N)C(=O)Nc2sc3c(c2C#N)CCCC3)ccc1OCc1cccc(C)c1 59116621 VUNUHGSQMJUCRX-BKUYFWCQSA-N 483.593 5.940 50 10 JKGE COC(=O)c1cccc(-n2c(C)cc(/C=N/NC(=O)c3cc4cc(Br)ccc4o3)c2C)c1 59305351 UOOBRUUMKSSLGK-LGJNPRDNSA-N 494.345 5.153 50 10 JKGE COc1ccc([C@@H](C(=O)NC2CCCCC2)N(C(=O)CCl)c2ccc(OC)c(Cl)c2)cc1 66156736 HHWXSHYJTGUMDO-QHCPKHFHSA-N 479.404 5.119 50 10 JKGE C/C(=N\NC(=O)COc1ccc(Cl)cc1Br)C(c1ccccc1)c1ccccc1 66202614 IIZHUMDPEYVKSJ-WGOQTCKBSA-N 471.782 5.806 50 10 JKGE CCCOc1ccc([C@H](C(=O)NC2CCCCC2)N(Cc2ccccc2)C(=O)CCl)cc1OC 97914593 OIBYEBMVZFORGC-AREMUKBSSA-N 487.040 5.242 50 10 JKGE CCc1ccc(N2C(=O)[C@@H](Cc3ccccc3)S/C2=C(/C#N)C(=O)Nc2ccccc2C)cc1 101244893 HKGINZKTGAMBAF-RAMZYJDASA-N 467.594 5.622 50 10 JKGE CCOc1ccccc1N/C(SCc1ccccc1F)=C(\C#N)C(=O)NCc1cccs1 105422606 QJYNCTYBGZVTNE-CLCOLTQESA-N 467.591 5.683 50 10 JKGE CCOc1ccc(Br)cc1[C@H](Br)c1ccc(Br)cc1F 109871938 ICDVCKKWSLJSCH-OAHLLOKOSA-N 466.970 6.234 50 10 JKGE COc1c(Br)cc(Cl)cc1[C@@H](Br)c1sccc1Br 111536160 PCJZWVLAVCFEBA-SNVBAGLBSA-N 475.427 6.419 50 10 JKGE Brc1cccc([C@@H](Br)c2cc(Br)c(Br)s2)c1 128243367 NYKOCPMAHOGPRI-SNVBAGLBSA-N 489.852 6.520 50 10 JKGE COc1cc([C@@H](Br)c2ccc(F)cc2Br)c(OC)cc1Br 134295783 CCBGGWIRVBCZGU-HNNXBMFYSA-N 482.969 5.852 50 10 JKGE CCCCCCN1C(=O)C(C#N)=C(C)/C(=C/c2cn(-c3ccccc3)nc2-c2cccc(OC)c2)C1=O 214243221 GTYXEIWUQJALMS-ITYLOYPMSA-N 494.595 5.720 50 10 JKGE Cc1cc(C)c(NC(=O)/C(C#N)=C\Nc2ccc(-c3nc4ccc(C)cc4s3)cc2)c(C)c1 217223646 NFHUWKPSMZWAEY-QNGOZBTKSA-N 452.583 6.655 50 10 JKGE CCCCc1ccc([C@H](Br)c2cc(Br)cc(Br)c2)cc1 232998019 MNRNDRFJSRKNDN-KRWDZBQOSA-N 461.035 7.039 50 10 JKGE Cl[C@H](Cc1nc2ccccc2o1)c1cc(I)ccc1Br 236034177 YELMVFKINMZPRB-GFCCVEGCSA-N 462.512 5.718 50 10 JKGE O=C(CCCSc1nc2ccc([N+](=O)[O-])cc2s1)N/N=C(\c1ccccc1)c1cccs1 253566689 JGCSOXBZHWYVLH-NJNXFGOHSA-N 482.612 5.707 50 10 JKGE O=C(CNc1c(Br)cc(Cl)cc1Br)NN=Cc1ccccc1Cl 254816978 NNMWRLHXYZGXFX-UHFFFAOYSA-N 479.987 5.081 50 10 JKGE Cc1cc(C)c([C@H](Br)c2sccc2Br)c(C)c1Br 306058320 WDZJJLYTSSEOOM-ZDUSSCGKSA-N 453.037 6.683 50 10 JKGE CC(C)(C)OC(=O)N1C[C@@H](CBr)[C@@H](c2cc(Br)cc(Br)c2)C1 382705977 FNEIFOIRZNBGQU-BXUZGUMPSA-N 498.053 5.557 50 10 JKGE Cc1cc([C@H](Br)c2cc(Br)ccc2Br)c(C)cc1F 386441106 OTLXDPIMMYRMLS-HNNXBMFYSA-N 450.971 6.452 50 10 JKGE ClCCc1nc2cc(Cl)cnc2n1CCCN(Cc1ccccc1)Cc1ccccc1 390570764 NCSCSYDNVXMBJO-UHFFFAOYSA-N 453.417 5.959 50 10 JKGE Brc1cscc1[C@H](Br)c1csc2c(Br)cccc12 404724426 XFBXPGHHCGYOFJ-GFCCVEGCSA-N 467.045 6.972 50 10 JKGE FC(F)(F)c1csc([C@H](Br)c2ccsc2Br)c1Br 698548673 BVLWQMHHBUKUPV-ZCFIWIBFSA-N 484.982 6.838 50 10 JKGE Brc1sccc1[C@@H](Br)c1csc2c(Br)cccc12 698554809 XLRNDPDYKMRGRQ-LLVKDONJSA-N 467.045 6.972 50 10 JKGE ClCCc1nc2cc(I)ccc2n1CC1(CCOCc2ccccc2)CC1 702197800 CDQFVMRVQQIGNQ-UHFFFAOYSA-N 494.804 5.809 50 10 JKGE Cc1cc2nc(CCl)n(CC3(N(Cc4ccccc4)Cc4ccccc4)COC3)c2cc1C 705865119 RFEUWAYHNLNOOF-UHFFFAOYSA-N 460.021 5.863 50 10 JKGE COc1ccc(F)cc1[C@H](Br)c1ccc(I)c(Br)c1 721615808 SOTSVUHSUYOULW-CQSZACIVSA-N 499.943 5.686 50 10 JKGE Cc1sc([C@@H](Br)c2ccccc2OCc2ccccc2)c(C)c1Br 724926983 CRKSNLUOGZRABO-IBGZPJMESA-N 466.238 7.191 50 10 JKGE Cc1ccccc1CNC(=O)[C@H](c1cccs1)N(C(=O)CCl)c1cccc(C(F)(F)F)c1 725237365 FKONMIHSQGUMBP-NRFANRHFSA-N 480.939 5.705 50 10 JKGE CC(=NNC(=O)c1ccc(CSc2ccc(Cl)cc2)cc1)c1ccc(C(C)(C)C)cc1 1083947721 AUDRNHPJGRJUML-UHFFFAOYSA-N 451.035 7.084 50 10 JKGE CCOc1cc(/C=C(/C#N)C(=O)Nc2ccc(C)c(C)c2)ccc1OCc1ccc(Cl)cc1Cl 1084056305 AXEMLAGBVKMTLK-MTJSOVHGSA-N 495.406 7.134 50 10 JKGE COc1cc(/C=C(/C#N)C(=O)Nc2cccc(C(F)(F)F)c2)cc(Br)c1OC(C)C 1084311133 CNNRKEHLOAAJJK-AUWJEWJLSA-N 483.284 5.809 50 10 JKGE CCc1cc([N+](=O)[O-])ccc1-c1ccc(/C=C(/C#N)C(=O)Nc2ccc(Br)cc2C)o1 1084384349 FTBAAHAQOYIAAU-VBKFSLOCSA-N 480.318 6.034 50 10 JKGE N#C/C(=C/c1ccc(-c2ccc(C34CC5CC(CC(C5)C3)C4)cc2[N+](=O)[O-])o1)c1nc2ccccc2[nH]1 1084548793 MHDUFXNTXVAKMI-MTJSOVHGSA-N 490.563 7.263 50 10 JKGE O=C(COc1cccc(Br)c1)NN=Cc1ccc(OCc2ccccc2Cl)cc1 1772754102 BVOBJAYUJZSGCF-UHFFFAOYSA-N 473.754 5.211 50 10 JKGE COc1ccc(-c2nn(Cc3cc(C)ccc3C)c3c2[C@@H](c2cc(C)ccc2O)C(C#N)=C(N)O3)cc1 1865687529 TWRMNYXBCLUVCD-SANMLTNESA-N 492.579 5.456 50 10 JKGE CCCc1nn(Cc2ccc(F)cc2)c2c1[C@@H](c1c(OC)ccc3ccccc13)C(C#N)=C(N)O2 1865688490 TXSZNBIQDISKSG-RUZDIDTESA-N 468.532 5.403 50 10 JKGE CCN(CC)c1ccc([C@H]2C(C#N)=C(N)Oc3c2c(C)nn3-c2ccc(Br)cc2)cc1 1865702649 YJMHDMFIOKMUNF-QFIPXVFZSA-N 478.394 5.008 50 10 JKGE COc1ccc(-c2nn(-c3ccccc3Cl)c3c2[C@@H](c2ccccc2[N+](=O)[O-])C(C#N)=C(N)O3)cc1 1865710001 MAWNJUHIUXHXKX-QFIPXVFZSA-N 499.914 5.328 50 10 JKGE COc1ccc(-c2nn(-c3cccc(Cl)c3)c3c2[C@@H](c2ccccc2OC)C(C#N)=C(N)O3)cc1 1865710453 YKINDAWCAQHPKS-QHCPKHFHSA-N 484.943 5.428 50 10 JKGE COc1ccc(-c2nn(-c3cccc(Cl)c3)c3c2[C@H](c2ccc(OC)cc2)C(C#N)=C(N)O3)cc1 1865713332 WSCRFSXVTCLZQY-HSZRJFAPSA-N 484.943 5.428 50 10 JKGE Cc1ccc(C(=O)CCC(=O)NNC(=O)c2ccc(-c3ccc(Cl)c(Cl)c3)nc2C)c(C)c1 1865759133 KBUJRJMXIGDLPO-UHFFFAOYSA-N 484.383 5.405 50 10 JKGE N#C/C(=C\c1ccc(Br)cc1)C(=O)Nc1ccc(Cl)cc1C(=O)c1ccccc1 1866128586 AFDOILUTKGGPEG-SFQUDFHCSA-N 465.734 5.879 50 10 JKGE CCCC[C@@H](NC(=O)/C=C(/c1ccc(C)c(C)c1)C1CC1)C(=O)Nc1ccc(SC#N)cc1 1866691426 QCFJLIIYYWIXBB-NPWCAHBGSA-N 461.631 5.984 50 10 JKGE COc1ccc(OC)c(/C=C/C(O)=C(\C#N)c2nc(-c3cc(C(C)(C)C)ccc3OC)cs2)c1 1872751645 QTBGFCDCSQDDFW-SZMIEORPSA-N 476.598 6.639 50 10 JKGE CCOc1ccc(OCC)c(-c2csc(/C(C#N)=C(\O)COc3cc(Cl)ccc3Cl)n2)c1 1872754861 MIXOOFNUHPGOOK-JZJYNLBNSA-N 491.396 6.786 50 10 JKGE N#C/C(=C(/O)CNC(=O)c1ccc(Cl)cc1Cl)c1nc(-c2ccc(Cl)s2)cs1 1872757479 IEZNTTITSYRGIM-KAMYIIQDSA-N 470.790 6.054 50 10 JKGE CCCCOc1ccc(/C=C(\C#N)c2nc(-c3ccc4ccccc4c3)cs2)cc1OCC 1872782681 OVWQSTLDAPEOSQ-BUVRLJJBSA-N 454.595 7.605 50 10 JKGE CCN(Cc1ccccc1)c1ccc(/C=C(\C#N)c2nc(-c3cccc(Cl)c3)cs2)cc1 1872790219 SNTGEMJLOIILFW-HZHRSRAPSA-N 456.014 7.554 50 10 JKGE CCCOc1ccc(-c2csc(/C(C#N)=C/c3ccc(Cl)cc3Cl)n2)cc1OCCC 1872790228 SXHRCWSGEXGITO-WOJGMQOQSA-N 473.425 7.759 50 10 JKGE Brc1cc(OCc2ccccc2)ccc1[C@H](Br)[C@@H]1C[C@@H]1Br 1886848751 IKKNHUUIJOJHOP-PVAVHDDUSA-N 475.018 6.248 50 10 JKGE Fc1c(Br)cc(Cl)c([C@H](Cl)[C@@H]2C[C@H]2Br)c1Br 1900362218 RPGKLXNJKYBUKY-DASPXTJNSA-N 455.774 6.067 50 10 JKGE Clc1ccc(I)c(C[C@@H]2CCCCCCCC[C@H]2Br)c1 1913396014 PXGJVBBKWPDCTA-XJKSGUPXSA-N 469.632 7.001 50 10 JKGE CC[C@@H](Br)CN(Cc1ccccc1)S(=O)(=O)c1ccc(Br)cc1Cl 1915077240 HGCPWEQVFZZKQY-CQSZACIVSA-N 495.664 5.467 50 10 JKGE CC1(C)CC([C@H](Br)c2c(Br)sc(Br)c2Cl)C1 1923039942 RRGXMWHAWKFNEZ-ZETCQYMHSA-N 451.449 6.799 50 10 JKGE C[C@@H](c1ccncc1Br)[C@@H](Cl)c1cc(Br)c(Br)s1 1924036366 NLNDNFTWDPAOQQ-UPONEAKYSA-N 474.443 6.514 50 10 JKGE Cc1cc(Br)c([C@H](Br)[C@@H](C)c2ccncc2Br)cc1Cl 1924042727 CVYHHVABABRCBR-BJOHPYRUSA-N 482.441 6.808 50 10 JKGE C[C@]1([C@H](Br)c2c(Br)sc(Br)c2Br)C[C@H]1F 1924605358 PXYZLPHTXFVMQA-FROZIPMSSA-N 485.836 6.220 50 10 JKGE Fc1cc([C@H](Br)c2sc(Cl)cc2Br)ccc1Br 1948828339 JOPGWLISRZCVGQ-JTQLQIEISA-N 463.391 6.550 50 10 JKGE CC[C@@H](C)N(Cc1ccccc1)S(=O)(=O)c1cc(CBr)sc1Br 1984648640 FYRFAGRAMLJNDH-GFCCVEGCSA-N 481.275 5.395 50 10 JKGE CCC[C@@H]1C[C@@H]1[C@H](Br)c1c(Br)sc(Br)c1Cl 1992936434 QYCIQTMAMUCRJW-CHKWXVPMSA-N 451.449 6.799 50 10 JKGE CC(C)(C)OC(=O)N1CCC(CI)(O[C@@H]2CC(C)(C)C2(C)C)CC1 2025011574 QPMGYCPPLXQFPP-CQSZACIVSA-N 451.389 5.032 50 10 JKGE CCCc1ccc([C@@H](Br)c2ccc(Br)cc2Br)s1 2027133261 URZDCXVOZAYSCS-AWEZNQCLSA-N 453.037 6.710 50 10 JKGE FC(F)(F)[C@@H]1C[C@H]1C[C@@H](Br)c1cc(Br)ccc1Br 2065500029 XQTKNRLKLFLCJT-PTHKFVFGSA-N 450.918 6.236 50 10 JKGE COc1cc(F)c([C@H](Br)c2ccc(Br)s2)cc1Br 2082783124 XBMSEBNQECUMBI-LBPRGKRZSA-N 458.972 5.905 50 10 JKGE Clc1ccc(Cl)c([C@H](Cl)c2ccc(Br)cc2I)c1 2086149825 SMMUZVMASXDOEA-CYBMUJFWSA-N 476.366 6.689 50 10 JKGE Clc1ccc(COc2ccc(Br)cc2CBr)c(Br)c1 2088513307 YEBKNTIBLVQMCO-UHFFFAOYSA-N 469.398 6.339 50 10 JKGE Clc1ccc(CBr)c(OCc2cccc(Br)c2Br)c1 2092331145 QOYPQVWJPCLSOW-UHFFFAOYSA-N 469.398 6.339 50 10 JKGE Clc1cc2c(c([C@H](Br)c3csc(Br)c3Br)c1)OCC2 2093941991 HTZRKRZAJOOVHQ-JTQLQIEISA-N 487.438 6.346 50 10 JKGE C[C@@H]1CCC[C@@](CBr)(Cc2ccc(Br)cc2Br)CC1 2100845755 QPEYIBRCSOPFCT-WBMJQRKESA-N 453.056 6.736 50 10 JKGE Cc1cc(Br)c(CBr)c(Oc2cc(Cl)ccc2Br)c1 2116826591 UKUVPCUVVMPQLX-UHFFFAOYSA-N 469.398 6.861 50 10 JKGE C[C@]12C[C@](COc3c(Br)cc(Br)cc3CBr)(CO1)C2 2138023168 FELSZVSFMGHTRW-OKILXGFUSA-N 454.984 5.054 50 10 JKGE CC(C)(C)[C@H](C[C@H](Br)c1ccc(Br)cc1Br)C(F)F 2138871418 FTHLBIJVDOSAQD-PWSUYJOCSA-N 462.998 6.965 50 10 JKGE FC(F)(F)C1([C@H](Br)c2ccc(Br)cc2Br)CCCC1 2138872626 LIDRUKMSVMETQG-LLVKDONJSA-N 464.945 6.770 50 10 JKGE Cc1cccc(Br)c1[C@@H](Br)c1cc(Br)c2c(c1)CCO2 2146627832 LNGUTYMYDUMCOW-HNNXBMFYSA-N 460.991 5.939 50 10 JKGE Fc1cc(CBr)cc(F)c1OCc1ccc(Br)cc1Br 2148684683 HOUDZMUDIFWHLO-UHFFFAOYSA-N 470.933 5.964 50 10 JKGE FC(F)(F)c1ccc(Br)c([C@@H](Cl)c2sc(Cl)cc2Br)c1 2154477804 HYIYDLRQZHTXCB-SNVBAGLBSA-N 468.947 7.274 50 10 JKGE ClCc1nc2cc(Br)cnc2n1-c1ccc(Br)c(Br)c1 2185907781 PXZORCCPLCGZLG-UHFFFAOYSA-N 480.385 5.447 50 10 JKGE Cc1cc(Br)c(CBr)c(N(C)[C@@H]2C[C@@H]3C[C@H](OCc4ccccc4)C[C@@H]32)c1 2190536161 CLHHHRKRJGVUIY-KEXUJGGDSA-N 493.283 6.473 50 10 JKGE O=C(N[C@@H](CBr)[C@H]1CC=CCC1)c1c(Br)cccc1Br 2196144651 YEGSDDSQFCMFRX-GWCFXTLKSA-N 466.011 5.061 50 10 JKGE C[C@H]1O[C@@]2(COc3c(Br)cc(CBr)cc3Br)CC[C@H]1C2 2198673401 DCDZYDLPXJIWBU-VPJDZLOFSA-N 469.011 5.443 50 10 JKGE Cc1c(Br)sc([C@H](Br)[C@H]2C[C@@H]2C2CCCCCC2)c1Br 2199989667 OOSGDSDNCNLZLZ-MBNYWOFBSA-N 485.123 7.624 50 10 JKGE O=S1(=O)C[C@@H]2CCC[C@@]2([C@H](Br)c2c(Cl)sc(Br)c2Cl)C1 2201881158 PFIPWDQQKDBUTI-PNLAZUSQSA-N 483.074 5.468 50 10 JKGE COc1cc(Cl)c([C@@H](Cl)Cc2ccccc2I)cc1Br 2202349462 ZENMKDGHIIJHEQ-LBPRGKRZSA-N 485.974 6.238 50 10 JKGE O=C(c1scc(Br)c1Br)N1CC[C@@H]2CC[C@H](Br)C[C@H]2C1 2204098518 PQFBSZLZVGBCCU-GUBZILKMSA-N 486.067 5.299 50 10 JKGE COc1cc(Cl)c([C@H](Br)c2ccc(I)c(C)c2)cc1Cl 2207105993 WASKQRNYVGDQAT-OAHLLOKOSA-N 485.974 6.399 50 10 JKGE O=[N+]([O-])c1ccc(C[C@@H](Cl)c2ccc(Br)cc2I)cc1 2207265582 SUNHVGZFQBTKLC-CYBMUJFWSA-N 466.500 5.485 50 10 JKGE Cc1cc(Br)c([C@H](Br)C(F)(F)C(F)F)c(C)c1Br 2220146185 FVHDBZLZYXSFDP-VIFPVBQESA-N 456.897 6.165 50 10 JKGE COc1cc(Br)c([C@H](Br)c2cc(Br)cs2)cc1C 2220445335 KNSYOSPKJZJOKA-ZDUSSCGKSA-N 455.009 6.074 50 10 JKGE Cc1sc([C@@H](Br)c2ccc(Br)cc2Br)c(C)c1C 2221246898 VZHULXRCWAQDGF-ZDUSSCGKSA-N 453.037 6.683 50 10 JKGE Clc1cc(Br)ccc1C[C@H](Br)c1ccc(OCc2ccccc2)cc1 2221700732 VYVQJUHEQYBLRB-FQEVSTJZSA-N 480.627 7.360 50 10 JKGE O=C(c1cc(Br)sc1Br)N1CCC[C@H](CCCBr)C1 2225815612 WTZRNSBKRFORMG-VIFPVBQESA-N 474.056 5.300 50 10 JKGE Cc1sc(Br)c(C)c1[C@@H](Br)c1c(F)cc(Br)cc1F 2225864905 JNFSSMCTKTZNHK-GFCCVEGCSA-N 474.990 6.652 50 10 JKGE COc1ccc(Br)c(CBr)c1OCc1ncsc1Br 2227736892 LBVGQLWCDLUHTJ-UHFFFAOYSA-N 471.996 5.151 50 10 JKGE Cc1ccc(Br)cc1[C@@H](Br)c1c(Br)cc(C)c(Cl)c1C 2232526946 BCQUFGZRKKMRCV-OAHLLOKOSA-N 481.453 7.275 50 10 JKGE CCOCc1cc(Br)c([C@H](Cl)c2c(Cl)cccc2Br)s1 2233025085 YHHLYAVXXGDEHX-CYBMUJFWSA-N 459.030 6.791 50 10 JKGE Cc1ccc([C@H](Br)c2c(F)cc(F)c(Br)c2F)cc1Br 2236112091 XZHYSHUWWSCGKT-LBPRGKRZSA-N 472.924 6.422 50 10 JKGE COc1cc([C@H](Br)c2cc(Br)sc2Br)c(OC)cc1C 2236788286 QGHVQJCGYISNFW-ZDUSSCGKSA-N 485.035 6.083 50 10 JKGE C[C@@](CBr)(O[C@@H]1CCN(Cc2ccccc2)C1)c1ccccc1Br 2250385561 HCBRSOXAIXGMBB-XLIONFOSSA-N 453.218 5.350 50 10 JKGE CCc1cc([C@@H](Cl)c2cc(C)ccc2I)sc1Br 2256053042 LXSDKVIDFWUZIL-ZDUSSCGKSA-N 455.586 6.314 50 10 JKGE COc1ccc([C@@H](Cl)c2ccc(OCc3ccccc3)cc2)cc1I 2257367889 DMJALBFEYGECFZ-NRFANRHFSA-N 464.730 6.207 50 10 JKGE Clc1ccc([C@H](Br)Cc2cc(Br)cc(Br)c2)c(Cl)c1 2277885728 QNUISZRFNJXSOZ-CYBMUJFWSA-N 487.844 7.197 50 10 JKGE COc1c([C@H](Br)c2cc(I)cc3c2OCC3)csc1Cl 2284306721 XKUSJUFJLQJELB-LLVKDONJSA-N 485.568 5.434 50 10 JKGE C=CC[C@@]1(CBr)CCCN(C(=O)c2scc(Br)c2Br)C1 2287764878 MUPDWGYNTIMTKD-AWEZNQCLSA-N 486.067 5.467 50 10 JKGE Cc1ccc(Cl)cc1NC(=O)C(C#N)=Cc1cc(C)n(-c2ccc(Br)cc2F)c1C 2294171890 HSHCBFBHQLOLGT-UHFFFAOYSA-N 486.772 6.503 50 10 JKGE COc1ccc([C@@H](Cl)Cc2cc(Br)cc(Br)c2)cc1Br 2295274696 NIFPUGPKCDNWAD-AWEZNQCLSA-N 483.425 6.505 50 10 JKGE Cc1cc(Cl)c([C@@H](Br)Cc2cc(Br)cc(Br)c2)cc1C 2295275292 SYRMPAUWICRLGV-HNNXBMFYSA-N 481.453 7.161 50 10 JKGE COC(=O)c1cc(C)sc1NC(=O)C(C#N)=Cc1ccc(OCc2ccccc2F)cc1 2295343734 GLRMSLKOWASMOV-UHFFFAOYSA-N 450.491 5.107 50 10 JKGE Cc1cc(Br)c(F)c([C@H](Br)c2cc3sc(Br)cc3s2)c1 2295401034 BGSNMCSEJLYARG-ZDUSSCGKSA-N 499.062 7.420 50 10 JKGE N#CC(=CNc1ccc2oc(=O)ccc2c1)c1nc(-c2cccc(Br)c2)cs1 2295934336 DUJJXYLPLPJJQH-UHFFFAOYSA-N 450.317 5.656 50 10 JKGE CCCOc1c(I)cc(C=C(C#N)C(=O)Nc2ccccc2C)cc1OCC 2313518094 HRTYVXPBGYPVIU-UHFFFAOYSA-N 490.341 5.333 50 10 JKGE FC1(F)CCC([C@@H](Br)c2cc(Br)ccc2OCc2ccccc2)CC1 2314440976 VCNNDWYFBZZWME-LJQANCHMSA-N 474.183 7.290 50 10 JKGE Cc1cc(Oc2nc3ccccn3c(=O)c2C=C(C#N)C(=O)Nc2ccccc2Cl)ccc1Cl 2314533438 QRWDVSFJWVQYFW-UHFFFAOYSA-N 491.334 5.648 50 10 JKGE CC1=C(C#N)C(=O)N([C@@H](C)c2ccccc2)C(=O)C1=Cc1ccc(OCc2ccc(Cl)cc2)cc1 2314618669 RLIAPTYYUFMIJF-FQEVSTJZSA-N 482.967 6.272 50 10 JKGE CC(C)(C)c1ccc(C=CC(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@@H]3c2cccc([N+](=O)[O-])c2)cc1 2314634055 HHTNYFSIBKRUDA-HHHXNRCGSA-N 495.535 5.729 50 10 JKGE Fc1c(Br)cc(Cl)c([C@H](Br)[C@@]23CCC[C@H]2C3)c1Br 2315450827 IPRJKNUQZYMANS-SQPCXJJOSA-N 461.394 6.630 50 10 JKGE Fc1cc(F)c([C@H](Br)c2sc(Cl)cc2I)cc1Cl 2316605396 GYKCEEGUHAJPBL-JTQLQIEISA-N 483.930 6.422 50 10 JKGE C[C@@H]1CC2CC([C@H](Br)c3ccc(OCc4ccccc4)cc3Br)(C2)O1 2319526934 XKWBIYXQIIZUGH-CAXFPOJNSA-N 466.213 6.422 50 10 JKGE Cc1sc2nc(SCC(=O)NN=Cc3ccc(C(C)C)cc3)nc(O)c2c1-c1ccccc1 2320486381 FUKRSBVTAXXMKP-UHFFFAOYSA-N 476.627 5.738 50 10 JKGE FC1(F)[C@H]2C[C@H]([C@@H](Cl)c3c(Br)sc(Br)c3Cl)CC[C@H]21 2329710586 VUMZDCBROIQFFS-MNCSTQPFSA-N 454.989 6.888 50 10 JKGE CC[C@H](C)[C@H](C(O)=C(C#N)c1nc(-c2ccc3c(c2)CCCC3)cs1)N1C(=O)c2ccccc2C1=O 2331240219 JOHJLASJSPPJNH-SSOJOUAXSA-N 497.620 6.192 50 10 JKGE CCCCc1ccc(N2C[C@@H](C(O)=C(C#N)c3nc(-c4ccc(F)cc4)cs3)CC2=O)cc1 2331343613 GLFVVWQBMPRFPM-IBGZPJMESA-N 461.562 6.138 50 10 JKGE CCCCCCCOc1ccc(-c2csc(C(C#N)=C(O)Cc3cccc4ccccc34)n2)cc1 2331344884 VWFRSSGKLXRXFK-UHFFFAOYSA-N 482.649 8.348 50 10 JKGE CCOc1cc(C=C(C#N)c2nc(-c3ccc(C(C)C)cc3)cs2)ccc1OCc1ccccc1C 2331457734 BVNMWPJYZHTAQD-UHFFFAOYSA-N 494.660 8.284 50 10 JKGE CCOc1cc(C=C(C#N)c2nc(-c3ccc(F)cc3)cs2)ccc1OCc1ccccc1 2331459131 PBMJGLNVKRZEDI-UHFFFAOYSA-N 456.542 6.991 50 10 JKGE CCCCOc1ccc(C=C(C#N)c2nc(-c3cc(C)cc(C)c3OC)cs2)cc1OCC 2331468700 PHTWVZPBEXLDGS-UHFFFAOYSA-N 462.615 7.077 50 10 JKGE Brc1cc(OCc2ccccc2)ccc1[C@H](Br)[C@]12CCCC[C@H]1OCC2 2336054457 RXZRSKCNRIHSIX-FSSWDIPSSA-N 480.240 6.813 50 10 JKGE Cn1ncc2cc([C@@H](Br)c3ccc(OCc4ccccc4)cc3Br)sc21 2336079718 VKFOSHSIYLERII-IBGZPJMESA-N 492.236 6.461 50 10 JKGE Fc1c(Br)cc(Cl)c([C@@H](Br)CCCC(F)(F)F)c1Br 2337107475 SYUDJYNVOZVEPL-YFKPBYRVSA-N 491.342 7.173 50 10 JKGE CCC[C@@H]1CC[C@@H](Br)[C@@H](Cc2ccc(Cl)c(I)c2)C1 2337275920 ATUNFQQOVAZILT-MRVWCRGKSA-N 455.605 6.467 50 10 JKGE COc1c(Br)cc(C)c([C@H](Br)[C@H]2CC[C@H](C)C2)c1Br 2339640026 TYORZFMTKINWOG-GMOODISLSA-N 455.028 6.401 50 10 JKGE COc1ccc([C@@H](Br)c2ccc(Cl)cc2I)c(Cl)c1 2340064335 PGGGXIIYOASYHN-CQSZACIVSA-N 471.947 6.091 50 10 JKGE Cl[C@H]1CC[C@@H]2CCN(Cc3ccc(I)c(Br)c3)[C@H]1C2 2349837961 UUUWTBNDWRONLU-DGFSRKRXSA-N 454.577 5.036 50 10 JKGE C[C@H](Cl)c1nc2cnc3cccnc3c2n1CCCN(Cc1ccccc1)Cc1ccccc1 2362056594 WCNLTULTVCVWDG-NRFANRHFSA-N 470.020 6.372 50 10 JKGE C[C@@H](C1CCCCC1)[C@@H](Br)c1c(Cl)cc(Br)c(F)c1Br 2362222126 ALKLGQJGTZMEFZ-ISVAXAHUSA-N 491.464 7.657 50 10 JKGE Fc1cc(CBr)c(N2CC[C@H]3[C@@H](CCCN3Cc3ccccc3)C2)cc1Cl 2362389725 WXIQNORPKAGXAZ-UWJYYQICSA-N 451.811 5.865 50 10 JKGE COc1c(Br)cc(C)c([C@H](Br)[C@H]2CCOC[C@@H]2C)c1Br 2365234333 XVBCHIITGZNREG-OUJBWJOFSA-N 471.027 5.637 50 10 JKGE CC(C)(C)[C@]1(CCl)CCN(Cc2ccc(I)c(Br)c2)C1 2377331656 KBFLCVQWTPTNIL-INIZCTEOSA-N 470.620 5.531 50 10 JKGE CC(C)(C)OC(=O)N[C@@H]1CCN(C[C@](C)(CBr)C(C)(C)C)[C@H](C(F)(F)F)C1 2380160742 OBSZGRMODBGHII-GLJUWKHASA-N 459.391 5.354 50 10 JKGE Fc1cc(OCc2cc(I)ccc2Cl)cc(Cl)c1CBr 2380451708 ACDMKONQFZBOGX-UHFFFAOYSA-N 489.937 6.211 50 10 JKGE COc1ccc(/C=C2\CCCC3=C2OC(N)=C(C#N)[C@H]3c2ccc(OC)c(OC)c2)cc1OC 2486476 BVCLYSPLOMWMFS-QAKGTIEWSA-N 460.530 5.050 50 10 JKGE CC(/C=N/NC(=O)c1cc(-c2cccnc2)nc2c1c(C)nn2-c1ccccc1)=C\c1ccccc1 3264506 KMFWGHZDMJGOEA-LINOLGOLSA-N 472.552 5.610 50 10 JKGE Cc1cc([C@@H]2C(C#N)=C(N)N(c3ccc([N+](=O)[O-])cc3Cl)C3=C2C(=O)CCC3)c(C)s1 20806972 NJEAKSMUYOWCSM-HXUWFJFHSA-N 454.939 5.231 50 10 JKGE O=[N+]([O-])c1ccc(OC[C@@H](Br)[C@@H](Br)c2cc(Cl)ccc2Cl)cc1 33353115 KKNXMZDBHCMFTD-HIFRSBDPSA-N 483.971 6.180 50 10 JKGE N#C/C(=C/c1ccc(-c2cccc(Cl)c2)o1)c1nnc(N2CCOCC2)n1-c1ccccc1 33489537 ZOPZGSZKCUXHMT-MNDPQUGUSA-N 457.921 5.081 50 10 JKGE CCOc1cc(/C=C2/C(=O)N(Cc3ccccc3Cl)C(=O)C(C#N)=C2C)ccc1OCC(C)C 38608783 CHWCSRVXOSGWQD-CIAFOILYSA-N 478.976 5.566 50 10 JKGE CC(C)c1ccc(OCC(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@@H]3c2ccccc2Cl)cc1 38651083 KTFHSRVYHNGRCG-AREMUKBSSA-N 474.944 5.666 50 10 JKGE COc1ccc(C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@@H]3c2ccc(C(C)C)cc2)cc1Cl 38687111 QNOBYUSZPBPPBB-RUZDIDTESA-N 474.944 5.909 50 10 JKGE CCCCC1CCC(C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@H]3c2cccc(OC)c2)CC1 38687348 NHJXKDFJZADPDH-CPHAMLGRSA-N 460.574 5.815 50 10 JKGE COc1ccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4oc5ccc(Cl)cc5c4C)ccc32)cc1 38687393 FFBBYFTZPAENMH-DEOSSOPVSA-N 486.911 5.841 50 10 JKGE Cc1ccccc1NC(=S)NNC(=O)c1ccc(-c2cc(C(F)(F)F)ccc2Cl)o1 39892530 MRKMJEJMOYGRPJ-UHFFFAOYSA-N 453.873 5.559 50 10 JKGE Cc1c(C(=O)Nc2ccc(C(C)C)cc2)oc2c1/C(=N/NC(=O)c1cccc([N+](=O)[O-])c1)CCC2 40813018 MGDFEIOJPMDRRP-SGWCAAJKSA-N 474.517 5.342 50 10 JKGE COc1cc(/C=N/NC(=O)c2ccc(-n3c(C)ccc3-c3ccccc3)cc2)ccc1OC(C)=O 59304215 GHBVQMJODIQIMT-RDRPBHBLSA-N 467.525 5.151 50 10 JKGE Cc1c(C(=O)N(C)C)sc(NC(=O)/C(C#N)=C\c2ccc(-c3ccccc3Cl)o2)c1C#N 96504280 YPQYUIWWXIYGKT-UVTDQMKNSA-N 464.934 5.089 50 10 JKGE Cc1cc(-c2nn(-c3ccccc3)cc2/C=C(/C#N)C(=O)N2CCOCC2)ccc1OCCC(C)C 97414846 RYSNVAHSEQWKCP-MOHJPFBDSA-N 484.600 5.038 50 10 JKGE CCOc1ccc(N2C(=O)[C@H](Cc3ccc(C)cc3)S/C2=C(/C#N)C(=O)Nc2ccccc2C)cc1 101245164 BHLTZWXVOZWTBT-IYQUHZLLSA-N 497.620 5.767 50 10 JKGE CCCN1C(=O)C(C#N)=C(C)/C(=C\c2cn(-c3ccccc3)nc2-c2ccc(OCC)c(F)c2)C1=O 101332783 DWLLDKGHHGLNOP-HYARGMPZSA-N 484.531 5.079 50 10 JKGE COc1ccc(-c2nn(-c3ccccc3)cc2/C=C2/C(=O)N(C3CCCCC3)C(=O)C(C#N)=C2C)cc1 101338836 IGJSFOPMDVPSRR-YZSQISJMSA-N 492.579 5.473 50 10 JKGE N#C/C(C(=O)CSc1ncnc2scc(-c3ccc(Cl)cc3)c12)=C1\Nc2ccccc2S1 103908285 DBKDQIWVTZYDPF-QNGOZBTKSA-N 493.038 6.626 50 10 JKGE Cc1cc(Br)c([C@H](Br)c2ccc(Cl)cc2)cc1Br 128746871 JZADRCQQAZLDRR-CQSZACIVSA-N 453.399 6.658 50 10 JKGE COc1cc(Br)c([C@H](Cl)c2ccc(Br)c(Cl)c2)cc1OC 129137894 FOTZKWBLTNXSSB-OAHLLOKOSA-N 454.973 6.210 50 10 JKGE Clc1cc2c(cc1[C@H](Cl)c1cc(Br)ccc1Br)OCCO2 161071265 VBIXUPSRZUZJRL-OAHLLOKOSA-N 452.957 5.964 50 10 JKGE CCCCNC(=O)/C(C#N)=C\c1ccc(OC(=O)COc2ccc(C)cc2C(C)(C)C)c(OC)c1 207139426 DDZBOQHOEWKIAO-QNGOZBTKSA-N 478.589 5.109 50 10 JKGE N#C/C(=C/Nc1cccc(C(F)(F)F)c1)C(=O)N1CCN(C(c2ccccc2)c2ccccc2)CC1 216487315 VILNHRAWAXVSSO-ATJXCDBQSA-N 490.529 5.459 50 10 JKGE Cc1c(Cl)cccc1[C@@H](Br)c1cc(Br)c(Br)s1 219947468 DALJEXFGMCXBJL-LLVKDONJSA-N 459.428 6.719 50 10 JKGE Clc1cc([C@H](Br)c2cccc(Br)c2Cl)sc1Br 228453964 MYIWRRRMINONAI-SECBINFHSA-N 479.846 7.064 50 10 JKGE Clc1cc([C@H](Cl)c2cc(Br)cc3c2OCC3)ccc1I 232345224 NIPFHFFQASMGGQ-AWEZNQCLSA-N 483.958 5.970 50 10 JKGE BrCc1cc(Br)c(OC[C@H]2Cc3ccccc32)c(Br)c1 232454692 GDVKXDWVTLVZCH-GFCCVEGCSA-N 460.991 5.825 50 10 JKGE Cc1cccc(Br)c1[C@H](Br)c1cc(F)c(Br)cc1F 389445630 UUIZGXJVVQHMIE-CQSZACIVSA-N 454.934 6.283 50 10 JKGE CC(C)(COCc1ccccc1)n1c(CCl)nc2cc(I)ccc21 389968457 QDIYUWVAMMATRI-UHFFFAOYSA-N 454.739 5.332 50 10 JKGE CCc1nn(C)c2c1nc(CCCl)n2CCCN(Cc1ccccc1)Cc1ccccc1 390526852 JKJLXRGFTXMAGL-UHFFFAOYSA-N 450.030 5.206 50 10 JKGE Clc1ccc([C@@H](Br)c2cc(Cl)c(Cl)c(Cl)c2Cl)cc1Br 405106888 XRDXFFVLDPLPGP-SNVBAGLBSA-N 498.256 8.200 50 10 JKGE CC(C)(C)[Si](C)(C)OCCc1ccccc1[C@H]1CCOCCN1S(=O)(=O)c1ccccc1 616597566 BJONLHHOGBMVKA-XMMPIXPASA-N 475.727 5.403 50 10 JKGE O=C(Nc1cccc(CBr)c1)c1scc(Br)c1Br 705403446 ALJLSUUEGVSWAX-UHFFFAOYSA-N 453.981 5.420 50 10 JKGE CC(C)[C@H]1CN(c2ccc(Br)cc2CBr)CCN1Cc1ccccc1 707550263 GHTQFTMVAORTHX-OAQYLSRUSA-N 466.261 5.691 50 10 JKGE Clc1cc(Br)c(OCc2ccc(Br)cn2)c(CBr)c1 708091944 YUSPVYLRFLWNMU-UHFFFAOYSA-N 470.386 5.734 50 10 JKGE Cc1ccc([C@@H](Br)c2ccc(Br)cc2F)c(C)c1Br 719540070 UJEOEGBGSULISU-OAHLLOKOSA-N 450.971 6.452 50 10 JKGE CCO[C@@H]1CCC[C@@H](O[C@H](CI)c2ccc(Br)cc2)C1 721638141 CKLAVCIKQWNKGZ-BZUAXINKSA-N 453.158 5.290 50 10 JKGE Cc1sc([C@@H](Br)c2ccc(Cl)cc2Br)c(C)c1Br 724910423 TXUZPHIKOXOTCM-LBPRGKRZSA-N 473.455 7.028 50 10 JKGE Cc1cccc(Cl)c1COc1ccc(C=NNC(=O)c2ccc(NC(=O)c3ccccc3)cc2)o1 1084108074 WEFNTKMZDXYPOV-UHFFFAOYSA-N 487.943 5.837 50 10 JKGE COc1cc(C=NNC(=O)c2cc3cc(Br)ccc3o2)ccc1OCc1cccc(F)c1 1084109211 QDAIDNYASGTLCF-UHFFFAOYSA-N 497.320 5.686 50 10 JKGE Cc1c(Br)c(C=NNC(=O)[C@H](C)Sc2ccccc2)c(C)n1-c1ccccc1 1084142647 SPHGHHVNHOFNEZ-KRWDZBQOSA-N 456.409 5.488 50 10 JKGE Cc1ccc(C(=O)Oc2ccc(/C=C(/C#N)C(=O)Nc3cccc(Cl)c3Cl)cc2)cc1 1084277866 VGIBQWXNXREFCO-AQTBWJFISA-N 451.309 6.067 50 10 JKGE O=C(COc1ccc(Cl)cc1Cl)NN=Cc1cccn1-c1ccc(Br)cc1 1084598968 FCECWALYKCYLGB-UHFFFAOYSA-N 467.150 5.076 50 10 JKGE CC(C)COc1cc(Cl)cc(C(=O)N(NC(=O)Nc2cc(F)c(F)cc2F)C(C)(C)C)c1 1088675155 VETSMMPHXKBKGE-UHFFFAOYSA-N 471.907 5.770 50 10 JKGE CC(C)(C)Oc1ccc([C@H]2CN(C(=O)OCc3ccccc3)C[C@H]2CI)cc1 1614619728 AJYVVRKFLDGKSH-TZIWHRDSSA-N 493.385 5.651 50 10 JKGE COc1ccc(/C(C#N)=C/c2ccc(OC(=O)c3ccc(F)c(F)c3F)c(OC)c2)cc1OC 1615066143 UPBGWYDTIIWFRR-MHWRWJLKSA-N 469.415 5.413 50 10 JKGE Cc1ccc2c(c1)C(=NNC(=O)c1cc(-c3ccccc3)nc3ccccc13)C(=O)N2CCC(C)C 1772720442 MHRNLSFMXWRQQZ-UHFFFAOYSA-N 476.580 5.737 50 10 JKGE Cc1c(C(=O)Nc2ccc(F)cc2)oc2c1C(=NNC(=O)c1cccc3ccccc13)CCC2 1772748010 MXVXFSPDSKOVMZ-UHFFFAOYSA-N 455.489 5.603 50 10 JKGE CCCc1nn(-c2ccc(Cl)c(Cl)c2)c2c1[C@@H](c1ccc(C(C)(C)C)cc1)C(C#N)=C(N)O2 1865682609 SQOPKNIVPQUQDY-QFIPXVFZSA-N 481.427 6.647 50 10 JKGE N#CC1=C(N)Oc2c(c(-c3ccccc3)nn2-c2ccccc2Cl)[C@H]1c1ccc(Cl)cc1 1865683152 HAYJPEHRMJIXRU-NRFANRHFSA-N 459.336 6.064 50 10 JKGE N#CC1=C(N)Oc2c(c(-c3ccccc3)nn2-c2ccccn2)[C@H]1c1ccc(Cl)c(Cl)c1 1865685957 PKXGMQCCUHSPRR-FQEVSTJZSA-N 460.324 5.459 50 10 JKGE N#CC1=C(N)Oc2c(c(C(F)(F)F)nn2-c2cccc(Cl)c2)[C@@H]1c1ccccc1Cl 1865686089 RARPDJDXPRZRMI-OAHLLOKOSA-N 451.235 5.416 50 10 JKGE COc1ccc(-c2nn(Cc3ccc(C)cc3)c3c2[C@@H](c2ccc(F)cc2)C(C#N)=C(N)O3)cc1 1865708433 WQGOLGOZHFZKSW-DEOSSOPVSA-N 466.516 5.273 50 10 JKGE CCc1ccc([C@H]2C(C#N)=C(N)Oc3c2c(-c2ccc(OC)cc2)nn3-c2cccc3ccccc23)cc1 1865708659 BZGOZWIPBNNYQS-NDEPHWFRSA-N 498.586 6.482 50 10 JKGE N#CC1=C(N)Oc2c(c(-c3ccccc3)nn2-c2cccc3ccccc23)[C@@H]1c1ccccc1[N+](=O)[O-] 1865710196 QOCXRUBNLXGWLG-RUZDIDTESA-N 485.503 5.819 50 10 JKGE C[C@H](Cl)C(=O)N(c1ccc(Cl)c(C(F)(F)F)c1)C1CCN(Cc2ccccc2)CC1 1865850176 BTRWXZJWWPXCSJ-HNNXBMFYSA-N 459.339 5.984 50 10 JKGE N#CSc1ccc(NC(=O)[C@@H](Cc2ccccc2)NC(=O)CCCc2cccc(Cl)c2)cc1 1867126568 UADPPZLJDYGLRW-XMMPIXPASA-N 478.017 5.602 50 10 JKGE CS(=O)(=O)Nc1ccc(/C(O)=C(\C#N)c2nc(-c3ccc4c(c3)CCCC4)cs2)cc1 1872745618 VXOONOZZIPQTBP-XDOYNYLZSA-N 451.573 5.010 50 10 JKGE N#C/C(=C(/O)c1ccc(N2CCOCC2)c([N+](=O)[O-])c1)c1nc(-c2ccccc2Cl)cs1 1872746157 VEQRNQRQRCSZIR-PGMHBOJBSA-N 468.922 5.158 50 10 JKGE CCOC(=O)c1ccc(N2C[C@@H](/C(O)=C(\C#N)c3nc(-c4ccc(C)cc4)cs3)CC2=O)cc1 1872749388 PAVTXWZAYOEGEF-SWAHWVACSA-N 473.554 5.141 50 10 JKGE CCCCCCCOc1ccc(-c2csc(/C(C#N)=C(\O)c3ccc(OC(C)=O)cc3)n2)cc1 1872752965 BJWFCKRBIOHWMM-LCUIJRPUSA-N 476.598 7.034 50 10 JKGE CCOc1ccc(OCC)c(-c2csc(/C(C#N)=C(\O)c3ccc(OC(C)=O)cc3)n2)c1 1872755133 ZQNQNBKWHWCEQO-ATJXCDBQSA-N 450.516 5.483 50 10 JKGE COc1cc(/C=C(\C#N)c2nc(-c3ccc4c(c3)CCCC4)cs2)cc(Br)c1O 1872782959 YZYLTRUUYPDKIK-QGMBQPNBSA-N 467.388 6.230 50 10 JKGE CCOc1ccc(/C=C(\C#N)c2nc(-c3cc(OC)c(Cl)cc3OC)cs2)cc1OCC 1872793526 DZAMODMBHKTGNL-CXUHLZMHSA-N 470.978 6.342 50 10 JKGE Cc1c(Br)sc([C@@H](Br)C2(CC(C)C)CCCC2)c1Br 1922902903 UQOPEFWYVZIZTQ-CYBMUJFWSA-N 473.112 7.624 50 10 JKGE Cc1c(Br)sc([C@@H](Br)C23CCC(CC2)CC3)c1Br 1922911270 AVHAYLWROMTZLO-VTGPFMDVSA-N 457.069 6.988 50 10 JKGE Cc1c(Br)sc([C@@H](Br)[C@@H]2CC[C@H]3C[C@H]2CO3)c1Br 1922928681 BOEVEFBIICGQMD-CKEKPRIKSA-N 459.041 5.833 50 10 JKGE Cc1c(Br)sc([C@H](Br)c2ccc(Cl)cc2)c1Br 1922942750 SIPJCUHCAGKOGQ-SNVBAGLBSA-N 459.428 6.719 50 10 JKGE Cc1ccc([C@H](Br)c2c(Br)sc(Br)c2Cl)s1 1923071647 KEXRWFJBTRFJDG-ZETCQYMHSA-N 465.457 6.781 50 10 JKGE C[C@@H]1CC[C@H]([C@@H](Cl)c2c(Br)sc(Br)c2Br)C1 1924570945 NVZZWILZJWSNEG-QIOHGKGESA-N 451.449 6.752 50 10 JKGE Cl[C@@H](C[C@@H]1CCCO1)c1c(Br)sc(Br)c1Br 1924581047 WSGNKCVPHRNXPZ-WDSKDSINSA-N 453.421 5.885 50 10 JKGE Cc1cc([C@@H](Cl)c2c(Br)sc(Br)c2Br)cs1 1924604513 CSOAFVZOIJEZBW-MRVPVSSYSA-N 465.457 6.734 50 10 JKGE BrCc1c(Br)cccc1N(Cc1ccccc1)CC1CCOCC1 1946744318 KYSWKXVMRPIPOG-UHFFFAOYSA-N 453.218 5.777 50 10 JKGE Cc1cc(Br)c([C@H](Br)[C@H]2C[C@@H](Br)C2)cc1Br 1991431719 GPANRUZZNCFRKH-RGNHYFCHSA-N 475.844 6.130 50 10 JKGE COc1ccc([C@H](Br)c2cc(I)sn2)cc1Br 2007646234 WKNOUYJJQORFNZ-NSHDSACASA-N 488.970 5.003 50 10 JKGE CCCc1ccc([C@H](Br)c2cc(Br)cc(Br)c2)s1 2027133624 WGDQBXNOVDOSMK-CQSZACIVSA-N 453.037 6.710 50 10 JKGE FC(F)(F)c1ccc([C@@H](Br)c2cc(Br)c(Br)s2)o1 2030059601 ZKEDAZUNMPMOGI-MRVPVSSYSA-N 468.914 6.369 50 10 JKGE Cc1cc(Br)c(CBr)c(N2CCC(N(C)Cc3ccccc3)CC2)c1 2053202755 MKFLECFLELHPLH-UHFFFAOYSA-N 466.261 5.753 50 10 JKGE CCO[C@@H]1CC[C@@H]([C@H](Br)c2c(Br)sc(Br)c2Cl)C1 2054494606 DICQWUSTVMVIPD-BHNWBGBOSA-N 481.475 6.568 50 10 JKGE Clc1c(Br)sc(Br)c1[C@H](Br)C[C@@H]1CCC[C@@H]2C[C@@H]12 2057346704 QHOOUJRHJDCATI-BZNPZCIMSA-N 477.487 7.189 50 10 JKGE CC(F)(F)C1([C@@H](Cl)c2c(Br)sc(Br)c2Br)CCC1 2069945801 SEEUXVKBQBZUSK-ZETCQYMHSA-N 487.429 7.141 50 10 JKGE Cc1c(Br)ccc([C@@H](Br)CC(F)(F)C(F)F)c1Br 2083338631 NNENOSOLZDQOKK-QMMMGPOBSA-N 456.897 6.247 50 10 JKGE COc1c(C)cc(Br)c(C)c1[C@H](Br)c1sncc1Br 2088927022 GDVROEISNIHIDA-NSHDSACASA-N 470.024 5.778 50 10 JKGE C[C@H](CCCCCI)NC(=O)c1ccc(Br)c(Cl)c1 2117895539 SIYFHVMFDRLKNM-SNVBAGLBSA-N 458.565 5.216 50 10 JKGE COC[C@@H]1CC[C@@H](Cc2cccc(Br)c2Br)C[C@@H]1Br 2127210051 JYVRJHQVFUSLNF-JKOKRWQUSA-N 455.028 5.580 50 10 JKGE Cc1c(Br)sc([C@H](Br)C(F)(F)C2CCOCC2)c1Br 2128895436 FDIZVRXBTPQTPT-JTQLQIEISA-N 483.010 6.079 50 10 JKGE FCCOc1ccc([C@H](Br)c2cc(Br)c(Br)s2)cc1 2132965504 HBKKMMATTLSABI-LBPRGKRZSA-N 472.999 6.106 50 10 JKGE COc1cccc([C@@H](Br)c2ccc(Br)cc2Br)c1F 2138851225 JNVPUBXEQJDBCP-ZDUSSCGKSA-N 452.943 5.844 50 10 JKGE Cc1c(F)ccc([C@@H](Br)c2cc(Br)cc(Br)c2)c1C 2138888625 KWYUGLZXHXFJQF-HNNXBMFYSA-N 450.971 6.452 50 10 JKGE O=C(c1ccc(Br)cc1Br)N1C[C@@H](Br)CCC12CCC2 2174539596 GCABQAXQWKVKMS-NSHDSACASA-N 466.011 5.134 50 10 JKGE Cc1c(Br)ccc([C@H](Br)C23CCC(CC2)C3(C)C)c1Br 2203688148 ZHBNSEAPQGFJQG-XNYLIXPXSA-N 465.067 7.172 50 10 JKGE CCn1cc(Br)c([C@@H](Br)c2cc(Br)cc(C)c2OC)n1 2206604584 MWOLLWWCVUSZBH-LBPRGKRZSA-N 466.999 5.229 50 10 JKGE Cc1cc(Br)cc([C@@H](Br)c2c(C)sc(Br)c2C)c1 2218801553 VWLGGWKWHHHKMY-CYBMUJFWSA-N 453.037 6.683 50 10 JKGE Clc1cc(Cl)cc(C[C@H](Br)c2cc(Br)sc2Br)c1 2224019723 QUKNIOMEFRRVGX-JTQLQIEISA-N 493.873 7.259 50 10 JKGE Fc1cc(Br)c(Br)cc1[C@H](Br)[C@@H]1C[C@H]2O[C@H]1[C@H]1C[C@@H]12 2225635106 SSWZHDVUCDIUNG-KJVPQCRPSA-N 454.959 5.210 50 10 JKGE Cc1cc(Br)c([C@@H](Br)[C@H]2CCC3(CC3)C2)c(C)c1Br 2227347880 LAEROQIVYSDFSC-NHYWBVRUSA-N 451.040 6.845 50 10 JKGE Clc1cc(Br)ccc1C[C@H](Cl)c1ccc(Br)cc1Br 2229147308 ITMYFYRIQUGHMQ-AWEZNQCLSA-N 487.844 7.150 50 10 JKGE Cc1nn(C)c([C@H](Br)c2ccc(Br)c(C)c2Br)c1Cl 2232172531 VZQDBVXQLTTYDD-LLVKDONJSA-N 471.418 5.700 50 10 JKGE Cc1c([C@@H](Cl)c2c(Br)cc(Cl)c(Cl)c2Cl)c(Br)nn1C 2232517913 XOKUFJDBPFFUKG-SNVBAGLBSA-N 481.830 6.542 50 10 JKGE CCOCc1cc(Br)c([C@@H](Cl)c2ccc(I)c(C)c2)s1 2233036637 YCSIALMCWOCTKA-AWEZNQCLSA-N 485.612 6.288 50 10 JKGE Cc1c(Br)sc(C[C@H](Br)c2ccc(Br)cc2)c1C 2254661510 VNRUFVCUOCPCRZ-LBPRGKRZSA-N 453.037 6.569 50 10 JKGE COc1ccc([C@@H](Cl)c2cc(C)ccc2Br)cc1I 2269545224 QFUNDNYWORBFQF-OAHLLOKOSA-N 451.529 5.699 50 10 JKGE COc1cc(OC)c([C@@H](Cl)c2scc(Br)c2Br)cc1Cl 2279136685 GRVONKJXGSDIAB-GFCCVEGCSA-N 461.002 6.272 50 10 JKGE O=C(NCC1(CBr)CCCCC1)c1ccc(Cl)c(I)c1 2283652740 YYJNRCSLFNFUGQ-UHFFFAOYSA-N 470.576 5.020 50 10 JKGE CC1CCC(CI)(OCc2c(F)cc(Br)cc2F)CC1 2287178714 HKOXPCZXWZPUGS-UHFFFAOYSA-N 459.112 5.628 50 10 JKGE Fc1cc(Br)c(F)c(Br)c1[C@@H](Br)CCC1CCCCC1 2288374036 OUSBRHWDMKEXIN-JTQLQIEISA-N 475.009 7.286 50 10 JKGE CC1(C)CC12CC([C@H](Br)c1c(F)cc(Br)c(F)c1Br)C2 2288481955 BYCSHCASVSZLAF-MLUFTHPKSA-N 472.993 6.752 50 10 JKGE C[C@]1([C@H](Br)c2c(F)cc(Br)c(F)c2Br)CCCC1(F)F 2288482408 FIDDOTUWYXHZLZ-VXGBXAGGSA-N 482.935 6.751 50 10 JKGE CCCN[C@H](c1c(F)cc(Br)c(F)c1Br)[C@H]1C[C@H](Br)C1 2288549057 HASLYFJVIHGUEN-FZVNPBSJSA-N 475.997 5.704 50 10 JKGE CCOc1cccc(NC(=O)C(C#N)=Cc2ccc(COc3ccc(Cl)c(Cl)c3)cc2)c1 2294953980 UIAJMRLUUFFDMD-UHFFFAOYSA-N 467.352 6.517 50 10 JKGE C[C@@]1([C@@H](Br)Cc2cc(Br)cc(Br)c2)CCCC(F)(F)C1 2295330032 PYHRMEOKOQBJDD-UONOGXRCSA-N 475.009 6.733 50 10 JKGE COC(=O)c1cc(-c2ccccc2)sc1NC(=O)C(C#N)=Cc1ccc(-c2ccccc2Cl)o1 2295635808 NDYGBGBHXNIBGW-UHFFFAOYSA-N 488.952 6.661 50 10 JKGE Cc1c(Cl)cccc1NC=C(C#N)c1nc(-c2cc3cc(Br)ccc3oc2=O)cs1 2295902647 DTZLATYQORUPLH-UHFFFAOYSA-N 498.789 6.617 50 10 JKGE C[C@@H]1CCCC[C@H]1[C@H](Br)c1cc(Br)ccc1OCc1ccccc1 2299531020 RSJRZKKYEGWKIZ-FPDPHYFHSA-N 452.230 7.290 50 10 JKGE CCOc1cc(C=C(C#N)C(=O)N(C)C)cc(Cl)c1OCc1ccc(Br)cc1 2313568969 ZUGWCHVNNOSAFM-UHFFFAOYSA-N 463.759 5.075 50 10 JKGE C[C@]1([C@@H](Br)c2ccc(OCc3ccccc3)cc2Br)CCCC1(F)F 2314440016 LUVRSVWPGKYXAY-RBUKOAKNSA-N 474.183 7.290 50 10 JKGE CC(C)c1ccc(N2C(=O)[C@@H](Cc3ccccc3)SC2=C(C#N)C(=O)Nc2ccccc2)cc1 2314592783 BQUPZLVALCWBHP-RUZDIDTESA-N 467.594 5.875 50 10 JKGE Cc1cc(Br)c(F)c(Br)c1[C@@H](Br)C[C@@H](C)C(F)F 2317399104 HCNMSGAAJPZSEF-RQJHMYQMSA-N 452.934 6.386 50 10 JKGE Clc1cc(Cl)cc(CC[C@@H](Br)c2sccc2I)c1 2318647805 NRFKYSNCMHXWOH-LLVKDONJSA-N 476.004 6.728 50 10 JKGE CC(C)(C)[C@@H]1CC[C@@H]1[C@@H](Br)c1cc(Br)ccc1OCc1ccccc1 2320103835 LRMRUHGNDZUADX-FBBABVLZSA-N 466.257 7.536 50 10 JKGE C[C@@H](Br)C1CCN(Cc2ccc(I)c(Br)c2)CC1 2325223819 QQIBUZYZRYIWJX-SNVBAGLBSA-N 487.017 5.049 50 10 JKGE C[C@H]1CC[C@H](CBr)CN1Cc1ccc(I)c(Br)c1 2325224425 XCFIBEWWXDGVSK-CMPLNLGQSA-N 487.017 5.049 50 10 JKGE COc1cc(C=C(C#N)c2nc(O)c3ccccc3n2)ccc1OCc1ccc(Cl)cc1Cl 2331029937 GBBWOVIZCRINLY-UHFFFAOYSA-N 478.335 6.294 50 10 JKGE Cc1cc(-c2csc(C(C#N)=C(O)c3cc(C(F)(F)F)cc(C(F)(F)F)c3)n2)ccc1F 2331320618 LDSBCPKPYJIOGR-UHFFFAOYSA-N 472.385 7.245 50 10 JKGE CCCCCCCOc1ccc(-c2csc(C(C#N)=C(O)c3cccc(NC(C)=O)c3)n2)cc1 2331345770 XCQMDZONQFVXIK-UHFFFAOYSA-N 475.614 7.068 50 10 JKGE COc1ccc(-c2csc(C(C#N)=C(O)[C@@H](C)N3C(=O)c4ccccc4C3=O)n2)c2ccccc12 2331405072 MRQPREIQOJMLHI-OAHLLOKOSA-N 481.533 5.449 50 10 JKGE COc1ccc(-c2csc(C(C#N)=C(O)CCCOc3c(C)cccc3C)n2)c2ccccc12 2331406516 VCSUATKGWGCDAF-UHFFFAOYSA-N 470.594 7.241 50 10 JKGE Cc1ccc(-c2csc(C(C#N)=Cc3ccc(OCc4ccc(Cl)cc4Cl)cc3)n2)c(C)c1 2331443476 UDYDINJBOXSXTQ-UHFFFAOYSA-N 491.443 8.377 50 10 JKGE Cc1cc(C)c(-c2csc(C(C#N)=Cc3ccc(OCc4ccccc4Cl)cc3)n2)c(C)c1 2331478584 MXPFUXMECPDARV-UHFFFAOYSA-N 471.025 8.032 50 10 JKGE Cc1cc(Br)c([C@H](Br)C[C@H]2CC[C@@H]3C[C@@H]32)c(C)c1Br 2333709216 XUZAUTRTHPTUOA-NRWUCQMLSA-N 451.040 6.701 50 10 JKGE Fc1c(Br)cc(Cl)c([C@H](Br)C2CCC(F)CC2)c1Br 2337082817 QKCROHRQRWJMAN-UAAUVXIDSA-N 481.400 6.968 50 10 JKGE CC1(C)CCC[C@](CBr)(Cc2ccc(Cl)cc2I)O1 2341047884 IQYWLBFKEQAFRH-OAHLLOKOSA-N 457.577 5.600 50 10 JKGE C[C@@H](c1ccncc1F)[C@H](Br)c1ccc(Br)cc1Br 2344692864 PLKIHWDPKGVZHI-RTHLEPHNSA-N 451.959 5.985 50 10 JKGE CC(C)(CI)CN1CC[C@H](CCNC(=O)OC(C)(C)C)C[C@H]1C(F)(F)F 2351614976 ZBLCOAAOCAKSNJ-KBPBESRZSA-N 492.364 5.005 50 10 JKGE C[C@@H]1CCC[C@@](CBr)(Cc2cc(I)ccc2Cl)CC1 2352349080 ZAHIZGVGQXUWKM-WBMJQRKESA-N 455.605 6.469 50 10 JKGE CCc1cc(Br)c(OC)c([C@H](Br)c2csnc2Br)c1 2353042803 GIXBKEXCUOFUNB-NSHDSACASA-N 470.024 5.723 50 10 JKGE COC1CC(CC[C@@H](Br)c2c(Cl)cc(Br)c(F)c2Br)C1 2362224442 QOJMIXIUYRTKMH-AMDVSUOASA-N 493.436 6.645 50 10 JKGE COc1c(Br)cc(C)c([C@@H](Br)[C@@H]2C[C@H]2CC(C)C)c1Br 2365187755 DHQSHRYHGJMZEN-GYSYKLTISA-N 469.055 6.647 50 10 JKGE COc1c(Br)cc(C)c([C@H](Br)[C@H]2CCC[C@H](C)C2)c1Br 2365189520 VUMLGWIKBVHMCB-NURSFMCSSA-N 469.055 6.791 50 10 JKGE O=C(N[C@H](CCBr)COCc1ccccc1)c1ccc2cc(Br)ccc2c1 2369431707 VAXOGXCXVHIUIV-OAQYLSRUSA-N 491.223 5.703 50 10 JKGE Cl[C@@H]1C[C@@H]2CCCC[C@H]2N(Cc2ccc(I)c(Br)c2)C1 2377313434 CVTCIVWCQMWKGR-WOSRLPQWSA-N 468.604 5.426 50 10 JKGE Cc1cccc([C@@H](CBr)OCc2cc(I)ccc2Cl)c1 2380353108 HGRKZFXQGBBBDC-MRXNPFEDSA-N 465.556 5.906 50 10 JKGE Fc1ccc(C[C@H](CBr)Cc2cc(I)ccc2Cl)cc1 2380530859 HZLZDNWAXMXJAN-LBPRGKRZSA-N 467.547 5.880 50 10 JKGE CCOC(=O)c1c(NC(=O)/C(C#N)=C/c2ccc(Cl)cc2)sc(C)c1-c1ccc([N+](=O)[O-])cc1 1974826 WDTCBVFQRBQPTE-SFQUDFHCSA-N 495.944 6.008 50 10 JKGE Cc1cccc(C)c1NCC(=O)N/N=C/c1ccc(OC(=O)c2ccc(C(C)(C)C)cc2)cc1 4779727 YAWXLBPOYSMPAJ-OCSSWDANSA-N 457.574 5.382 50 10 JKGE COc1ccc(C(=O)NCCCCCC(=O)N/N=C/[C@@H]2CC=C(CCC=C(C)C)C[C@@H]2C)cc1OC 20073030 KIWFYFBGGQHYIT-XFLMWGBASA-N 497.680 5.815 50 10 JKGE COc1cc(/C=C(/C#N)C(=O)NCc2ccccc2)ccc1OC(=O)/C=C/c1ccc(Cl)cc1 33392015 ZCJRDQVJMRXPHO-YNLGFCNJSA-N 472.928 5.191 50 10 JKGE CC(C)(C)c1ccc(OCC(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@@H]3c2cccc(F)c2)cc1 38678183 IHTYPOZXGYKCFX-AREMUKBSSA-N 472.516 5.326 50 10 JKGE C=CCOc1ccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4cccc(C)c4)ccc32)cc1OC 38680792 LZUUALZBDKSFPH-SANMLTNESA-N 468.509 5.006 50 10 JKGE CCCOc1ccccc1[C@H]1C(C#N)=C(N)Oc2cc(OC(=O)COc3ccc(C)c(C)c3)ccc21 38681703 FKSBSBAVRWZESV-MUUNZHRXSA-N 484.552 5.295 50 10 JKGE CSc1ccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)COc4c(C)cccc4C)ccc32)cc1 38682377 DUPSPOAACNETOA-RUZDIDTESA-N 472.566 5.228 50 10 JKGE CCCCC1CCC(C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@@H]3c2ccc(OCCC)cc2)CC1 38687528 OPHAVZGXSZYLLK-BLHVWRTFSA-N 488.628 6.596 50 10 JKGE COC(=O)c1ccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4oc5ccc(F)cc5c4C)ccc32)cc1 38700911 HUDVTLKWIODPCP-XMMPIXPASA-N 498.466 5.104 50 10 JKGE Cc1ccc(C(=O)N/N=C2\CCCc3oc(C(=O)Nc4cccc5ccccc45)c(C)c32)cc1 40804652 ALSKFQAKPIIMEO-JJKYIXSRSA-N 451.526 5.772 50 10 JKGE Cc1c(C(=O)Oc2ccc3ccccc3c2)oc2c1/C(=N/NC(=O)c1ccccc1Cl)CCC2 40812613 BXYKLIMZXMORCI-QUPMIFSKSA-N 472.928 6.084 50 10 JKGE Cc1c(C(=O)Nc2ccc(Cl)cc2)oc2c1/C(=N/NC(=O)c1cccc3ccccc13)CCC2 40813606 ZVAMWJUGIKNIMS-JBASAIQMSA-N 471.944 6.117 50 10 JKGE CC(C)(c1ccccc1)c1ccc(OCC(=O)N/N=C/c2cccc(Br)c2)cc1 40866490 AKAUIBPLQDNUIX-WGOQTCKBSA-N 451.364 5.304 50 10 JKGE O=C(CSc1c(Cl)c(Cl)c(Cl)c(Cl)c1Cl)N/N=C/c1ccccc1O 59157125 AWJLGRBDKSXHCR-IGCPIRJNSA-N 458.581 5.902 50 10 JKGE Cc1cccc(COc2c(Cl)cc(/C=N/NC(=O)c3cc4ccccc4o3)cc2Cl)c1 59680117 WOWIOIBUTHZXBL-UVHMKAGCSA-N 453.325 6.391 50 10 JKGE CCc1ccc(N2C(=O)[C@@H](Cc3ccc(F)cc3)S/C2=C(/C#N)C(=O)NCc2ccccc2)cc1 101240829 MTEMEYCWMXTZAI-IEQIIXMPSA-N 485.584 5.131 50 10 JKGE N#C/C(=C/Nc1ccc(Cl)cc1C(=O)c1ccccc1)c1nc(-c2ccc3c(c2)OCO3)cs1 102420509 MOJDGIDMOREMIU-AQTBWJFISA-N 485.952 6.400 50 10 JKGE Cc1cc(C)c(N/C(SCc2ccccc2C)=C(\C#N)S(=O)(=O)c2ccccc2)c(C)c1 104689465 DGQJGPXNEDAODQ-LCUIJRPUSA-N 462.640 6.432 50 10 JKGE COc1cc(S(=O)(=O)Nc2ccccc2C)ccc1N/C=C(/C=O)c1nc2cc(Cl)ccc2o1 108865262 WXOXPLHERXEXEN-SSZFMOIBSA-N 497.960 5.251 50 10 JKGE Brc1ccc(Br)c([C@@H](Br)c2cc3ccccc3s2)c1 109844480 UBNVEDXFPFTCLG-OAHLLOKOSA-N 461.016 6.911 50 10 JKGE O=c1[nH]c2cc(Br)c([C@H](Br)c3ccc(Cl)c(Cl)c3)cc2[nH]1 109884512 UZFSOAPNNYLOTK-CYBMUJFWSA-N 450.945 5.410 50 10 JKGE ClCCN(CCCl)c1ccc(Sc2ccc(Nc3ccnc4ccccc34)cc2)cc1 111464832 CDTQJGXMXKKCRO-UHFFFAOYSA-N 468.453 7.414 50 10 JKGE Brc1cccc2c([C@@H](Br)c3cc4c(s3)CCSC4)csc12 124017163 KLCITNUMIITHPE-OAHLLOKOSA-N 460.281 6.999 50 10 JKGE ClCCc1nc2cc(I)ccc2n1-c1ccc(Cl)cc1Br 125811278 PQFPNTZSQRSYQE-UHFFFAOYSA-N 495.973 5.827 50 10 JKGE COc1cc([C@@H](Br)c2cc(C)c(Br)s2)c(OC)cc1Br 134295262 JYBHZROUZZZWGU-CYBMUJFWSA-N 485.035 6.083 50 10 JKGE Brc1ccc([C@@H](Br)c2csc3c(Br)cccc23)cc1 163379965 RNIVAFMYCLGWNG-CQSZACIVSA-N 461.016 6.911 50 10 JKGE CCOc1ccc(-c2nn(-c3ccccc3)cc2/C=C2\C(=O)N(C(C)C)C(=O)C(C#N)=C2C)cc1C 214249036 NHNOXBRLWPBOSM-IWIPYMOSSA-N 480.568 5.247 50 10 JKGE CCOc1ccc(CCN/C=C(/C#N)C(=O)Nc2ccc(Oc3ccccc3)cc2)cc1OCC 217211541 YPGJCQQEXXPPJZ-XDOYNYLZSA-N 471.557 5.455 50 10 JKGE COc1ccc([C@@H](Br)c2ccccc2I)c(OC)c1Cl 224650498 MVYDCHFAIGGZKX-ZDUSSCGKSA-N 467.528 5.446 50 10 JKGE COc1ccc([C@H](Br)c2cc(Cl)cc(Cl)c2)c(OC)c1Br 224846432 KPLUNDHVUVJPEL-CYBMUJFWSA-N 454.973 6.257 50 10 JKGE Brc1cc2c(c([C@@H](Br)c3cccc(I)c3)c1)OCC2 228445800 SISJYUCOTJBRTB-AWEZNQCLSA-N 493.964 5.473 50 10 JKGE COc1cc(C)c(Br)cc1[C@@H](Br)c1cc(Cl)ccc1Br 234795935 XSGFKKUNUDFAEG-HNNXBMFYSA-N 483.425 6.666 50 10 JKGE Cc1ccccc1[C@H]1C(C=NNC(=O)c2ccccc2O)=C(c2ccccc2)Oc2ccccc21 245265028 FSKYTIOFWUAUNX-MUUNZHRXSA-N 460.533 6.052 50 10 JKGE Brc1cc([C@H](Br)[C@@H]2[C@H]3CCc4ccccc4[C@H]32)sc1Br 250858027 QWMKOIXUVDYMHP-QOWREQOWSA-N 477.059 6.685 50 10 JKGE CC(=NNC(=O)c1cc(-c2ccc(C)cc2C)nc2ccccc12)c1cccc(NS(C)(=O)=O)c1 254514731 XBDLVNKXTIIIFB-UHFFFAOYSA-N 486.597 5.044 50 10 JKGE Cc1ccc(OCC(=O)NN=Cc2cc(N=Nc3ccc(C)c(C)c3)ccc2O)c([N+](=O)[O-])c1 254733111 OXUMHPJSDOBDAC-UHFFFAOYSA-N 461.478 5.170 50 10 JKGE CCCCCC[C@H](CC1(CCCCCC[C@@H](C)B(O)O)c2ccccc2-c2ccccc21)B(O)O 256078361 DMMCBMQLLUBNLM-DNQXCXABSA-N 478.291 6.360 50 10 JKGE COc1ccc2cc([C@@H](Br)c3sccc3I)ccc2c1 312304030 AGOPDUBJECTIKI-OAHLLOKOSA-N 459.146 5.999 50 10 JKGE Cc1cc(Br)c([C@H](Br)Cc2ccc(Cl)c(Cl)c2)cc1Cl 312334246 UUSJVZQVZMUUFU-GFCCVEGCSA-N 457.420 7.396 50 10 JKGE Cc1ccc(Br)c([C@H](Cl)c2cc(I)cc3c2OCC3)c1 312410237 WWMSAJTWRNXKRS-HNNXBMFYSA-N 463.540 5.625 50 10 JKGE CC(C)(C)[Si](C)(C)OCc1ccccc1[C@H]1Cc2ccccc2N(S(=O)(=O)c2ccccc2)C1 616689693 KRYCAMQQBWIUFU-DEOSSOPVSA-N 493.745 6.744 50 10 JKGE Clc1cccnc1CC(CBr)(CBr)c1ccc(Br)cc1 703905877 NAJQVDAORAKYJV-UHFFFAOYSA-N 482.441 5.768 50 10 JKGE Clc1ccc(Cl)c([C@H](Br)c2scc(Br)c2Br)c1 705417891 HZQASVKGZGTQQF-VIFPVBQESA-N 479.846 7.064 50 10 JKGE CC1(C)[C@@H](n2c(CCl)nc3ccc(F)c(Br)c32)C[C@H]1OCc1ccccc1 718080732 RYOMIRROKNZOAZ-DLBZAZTESA-N 451.767 6.233 50 10 JKGE CN(C[C@@H]1CCCN(Cc2ccccc2)C1)c1ccc(CBr)cc1Br 720016405 JGXPVCGWKZKYGM-IBGZPJMESA-N 466.261 5.692 50 10 JKGE COc1cc(C=NNC(=O)c2ccccc2Br)cc(Cl)c1OCc1ccccc1 1083899300 CLJYBYHECFBJSM-UHFFFAOYSA-N 473.754 5.454 50 10 JKGE O=C(CSc1ccc(C=NNC(=O)c2cc3ccccc3cc2O)o1)Nc1ccc2ccccc2c1 1083912871 CWTYXIHFCADVCT-UHFFFAOYSA-N 495.560 5.786 50 10 JKGE N#C/C(=C\c1cc(Cl)c(OCc2ccccc2)c(Cl)c1)C(=O)Nc1cccc(Cl)c1Cl 1083930294 OIVHPZKSRXJDIG-CXUHLZMHSA-N 492.189 7.425 50 10 JKGE Cc1ccc(NC(=O)/C(C#N)=C\c2ccc(-c3ccc(Br)cc3C)o2)cc1Cl 1083967280 IMYLBFJGYPDNFT-GDNBJRDFSA-N 455.739 6.525 50 10 JKGE O=C(NN=C(CSc1nc2ccccc2o1)c1ccc(-c2ccccc2)cc1)c1ccccc1Cl 1083980859 RTBOZRMSAZVLIM-UHFFFAOYSA-N 498.007 7.075 50 10 JKGE COc1cccc(C=NNC(=O)c2ccc(Cl)cc2)c1OCc1ccc(Br)cc1 1084059810 FZYOBZXCZSCTNP-UHFFFAOYSA-N 473.754 5.454 50 10 JKGE COc1cc(/C=C(/C#N)C(=O)Nc2cccc(Cl)c2C)ccc1OCc1ccccc1F 1084149820 XJTBHKARPJTKQB-UNOMPAQXSA-N 450.897 5.921 50 10 JKGE COc1ccc(/C(C#N)=C/c2cccc(OC(=O)CCCOc3ccc(Cl)cc3Cl)c2)cc1 1615066463 GJKLGAIKZCHSPC-XSFVSMFZSA-N 482.363 6.831 50 10 JKGE CCN(C(=O)c1oc2c(c1C)C(=NNC(=O)c1ccccc1OC)CCC2)c1cccc(C)c1 1772746286 UGMQZZSMPVDHEY-UHFFFAOYSA-N 459.546 5.042 50 10 JKGE CCc1nn(-c2cccc3ccccc23)c2c1[C@H](c1ccc(Cl)cc1Cl)C(C#N)=C(N)O2 1865685008 BXLJFEVVYVKTCS-JOCHJYFZSA-N 461.352 6.113 50 10 JKGE N#CC1=C(N)Oc2c(c(C(F)(F)F)nn2-c2ccccc2Cl)[C@@H]1c1c(F)cccc1Cl 1865685115 FTHRORDCNOQKFG-AWEZNQCLSA-N 469.225 5.555 50 10 JKGE CCCCOc1ccc([C@@H]2C(C#N)=C(N)Oc3c2c(CC)nn3Cc2ccccc2F)cc1OCC 1865687502 SNAKSLNPDYTWJL-RUZDIDTESA-N 490.579 5.429 50 10 JKGE CCCCOc1ccc([C@H]2C(C#N)=C(N)Oc3c2c(CC)nn3Cc2ccc(F)cc2)cc1OCC 1865687579 VFMSNDWEOGJVBT-VWLOTQADSA-N 490.579 5.429 50 10 JKGE CCCCCOc1ccc([C@@H]2C(C#N)=C(N)Oc3c2c(CC)nn3-c2ccccc2)cc1OC 1865697271 YVEPAUKXUJQGGT-XMMPIXPASA-N 458.562 5.230 50 10 JKGE CCc1nn(Cc2ccc(Cl)cc2)c2c1[C@@H](c1ccc(N(CC)CC)cc1)C(C#N)=C(N)O2 1865701699 CDGYUQFLQBFINY-QHCPKHFHSA-N 461.997 5.212 50 10 JKGE CCOc1cc([C@@H]2C(C#N)=C(N)Oc3c2c(C)nn3C)ccc1OCc1c(Cl)cccc1Cl 1865702748 DMKRVDGEWJILHT-JOCHJYFZSA-N 485.371 5.231 50 10 JKGE COc1ccc(-c2nn(Cc3cc(C)ccc3C)c3c2[C@H](c2ccc(OC)cc2)C(C#N)=C(N)O3)cc1 1865712990 NSDRVJUQPJROMW-AREMUKBSSA-N 492.579 5.451 50 10 JKGE CCC[C@H](NC(=O)Cc1nc(-c2ccc(Cl)cc2)oc1C)C(=O)Nc1ccc(SC#N)cc1 1866670406 UFIXZGWNSQREOZ-FQEVSTJZSA-N 482.993 5.343 50 10 JKGE CC(C)(C)c1nc(Nc2ccc(SC#N)cc2)cc(N2CCC(Oc3ccc(Cl)cc3)CC2)n1 1868342139 LIMCLUWDGAEDRM-UHFFFAOYSA-N 494.064 6.792 50 10 JKGE CCc1ccc(-c2csc(/C(C#N)=C(\O)[C@@H]3CC(=O)N(c4ccccc4C(=O)OC)C3)n2)cc1 1872744167 ILLUQDYUQKCBMI-FCZGTTMTSA-N 473.554 5.005 50 10 JKGE CCc1ccc(-c2csc(/C(C#N)=C(\O)c3ccc(N4CCOCC4)c([N+](=O)[O-])c3)n2)cc1 1872744281 KUAZODJSZPGMLK-NMWGTECJSA-N 462.531 5.067 50 10 JKGE CCc1cccc(CC)c1N1C(=O)c2ccc(/C(O)=C(\C#N)c3nc(C(C)(C)C)cs3)cc2C1=O 1872747902 YNTKEYYVRSIVJA-FLFQWRMESA-N 485.609 6.316 50 10 JKGE COC(=O)c1ccccc1N1C[C@H](/C(O)=C(\C#N)c2nc(-c3cccc(Cl)c3)cs2)CC1=O 1872748206 NDYYNNGHJOSPJO-VGLIXDPASA-N 479.945 5.096 50 10 JKGE COc1c(Cl)cc(Cl)cc1-c1csc(/C(C#N)=C(\O)c2ccc(-c3ccccc3)cc2)n1 1872754157 FUEYLOSPYCLUDA-ATJXCDBQSA-N 479.388 7.742 50 10 JKGE COc1ccc(-c2csc(/C(C#N)=C(\O)c3c(Cl)ccc(Cl)c3Cl)n2)cc1Cl 1872757845 YSBCACXJFHGSCL-ZDLGFXPLSA-N 472.180 7.382 50 10 JKGE CCOc1cc(/C=C(\C#N)c2nc(-c3cccc([N+](=O)[O-])c3)cs2)cc(Br)c1O 1872782914 WVFCERQKXAFGQV-MKMNVTDBSA-N 472.320 5.649 50 10 JKGE CCOc1ccc(OCC)c(-c2csc(/C(C#N)=C/c3ccc(Br)cc3)n2)c1 1872792583 GZCTZECFPOAPSX-LFIBNONCSA-N 455.377 6.434 50 10 JKGE COc1cc(C)c(-c2csc(/C(C#N)=C/c3ccc(OCc4ccccc4C)cc3)n2)cc1C 1872794921 DNDRLICZOFDYHL-BUVRLJJBSA-N 466.606 7.387 50 10 JKGE N#C/C(=C\c1ccc(OCc2ccccc2)cc1)c1nc(-c2cc(Cl)ccc2Cl)cs1 1872794927 DUPWETYZTXMDNV-XDHOZWIPSA-N 463.389 7.760 50 10 JKGE Fc1c(Br)cc(Cl)c([C@@H](Br)C2(Cl)CC2)c1Br 1900361361 FDJZPXQVIIBEQL-SECBINFHSA-N 455.774 6.212 50 10 JKGE Cc1csc([C@@H](Cl)c2sc(Cl)cc2I)c1Br 1901028059 HOXQVFRCKYCUEF-QMMMGPOBSA-N 468.006 6.467 50 10 JKGE Cc1cccc(C(=O)N(CCCBr)Cc2ccccc2)c1I 1914627137 AJAQKBJBHAEPKB-UHFFFAOYSA-N 472.164 5.027 50 10 JKGE CC(C)[C@H](CBr)N(Cc1ccccc1)c1ccnc2cc(Br)cnc12 1915325113 ZAJAHFYUKKILNU-IBGZPJMESA-N 463.217 5.818 50 10 JKGE Cc1c(Br)sc([C@@H](Br)C(C)(C)c2ccccc2)c1Br 1922899087 AARNSUOONBMFQQ-CYBMUJFWSA-N 467.064 6.995 50 10 JKGE C[C@H](c1ccncc1Br)[C@H](Br)c1cccc(Br)c1Cl 1924040965 SDSSZUVRQRHHNX-OQPBUACISA-N 468.414 6.500 50 10 JKGE Cc1occc1[C@H](Br)c1c(Br)sc(Br)c1Br 1924577127 XNGFBXDQWKILLV-ZETCQYMHSA-N 493.840 6.421 50 10 JKGE Cc1sc([C@H](Cl)c2csc(Br)c2Br)cc1Br 1937735186 XBORZAMDYDFRBF-SECBINFHSA-N 465.457 6.734 50 10 JKGE Clc1cc([C@H](Br)c2c(Br)cccc2Br)c(Cl)s1 1945323392 RGACYHFIMVLBHJ-JTQLQIEISA-N 479.846 7.064 50 10 JKGE CC(C)(C)OC(=O)NCCN(Cc1ccccc1)CC1(CBr)CCCCCC1 1955949461 PHEFSDIPASNHEE-UHFFFAOYSA-N 453.465 5.749 50 10 JKGE Clc1cc([C@@H](Br)c2c(Cl)cccc2Br)sc1Br 2003558059 OTTQZLHZUAHQGR-SNVBAGLBSA-N 479.846 7.064 50 10 JKGE Cc1cc([C@@H](Br)c2ccc(Br)cc2I)sc1C 2026211855 QCGQFXJIPXPTRQ-ZDUSSCGKSA-N 486.010 6.216 50 10 JKGE Cc1sc([C@@H](Br)c2cc(Cl)c(C)c(Br)c2)cc1Br 2048504052 RXQCJJMLSZNSMU-ZDUSSCGKSA-N 473.455 7.028 50 10 JKGE Cc1cc(Br)cc(CBr)c1OCc1cnsc1Br 2055663291 BIKGTDATTJBOAF-UHFFFAOYSA-N 455.997 5.450 50 10 JKGE CC(C)(C)c1ccc(-n2nc(CBr)c(Br)c2C(F)(F)F)c(O)c1 2079240762 VRTRATNUYBELTL-UHFFFAOYSA-N 456.100 5.552 50 10 JKGE CC(C)(C)OC(=O)N1C[C@H](I)[C@H](OC[C@H]2C[C@@H]2C2CCCCCC2)C1 2080297060 KAGKVPIKJTURKY-ZJPYXAASSA-N 463.400 5.032 50 10 JKGE CC1(C)CC[C@@H](CBr)N1C(=O)c1cc(Br)c(Br)s1 2084952591 SGIMFVYGDFSOTR-ZETCQYMHSA-N 460.029 5.051 50 10 JKGE CCCC[C@@H](C)CC[C@H](Br)c1c(Br)sc(Br)c1Cl 2086055568 BKSOABMQRHICHC-BDAKNGLRSA-N 481.519 7.969 50 10 JKGE CC1(C)CC(CBr)(CNC(=O)c2scc(Br)c2Br)C1 2102085147 AJDSYCLWGFJFGE-UHFFFAOYSA-N 474.056 5.204 50 10 JKGE FC1(F)CCC2(CC1)C[C@@H]2[C@H](Br)c1cc(Br)sc1Br 2107091130 IEHMLWPCSRJDBI-PSASIEDQSA-N 479.022 6.925 50 10 JKGE CC[C@H](Br)[C@H]1CCCCN1C(=O)c1cc(Br)c(Br)s1 2114192697 JZLHHJKTXKOCFW-WCBMZHEXSA-N 474.056 5.441 50 10 JKGE BrCC12CCC(CC1)N(Cc1cccc(Br)c1Br)C2 2122359310 KSVKSJFYXBWEGZ-UHFFFAOYSA-N 452.028 5.351 50 10 JKGE Cc1cc([C@@H](Br)c2c(C)nn(C)c2Br)c(C)cc1Br 2129265937 RHGWMIPQQSGFND-CYBMUJFWSA-N 451.000 5.355 50 10 JKGE Cc1cc(Br)c([C@H](Br)C23COC(CF)(C2)C3)cc1Br 2137918941 NDCYMAPSDYGKOD-HSBZDZAISA-N 456.975 5.475 50 10 JKGE Fc1ccc([C@@H](Br)c2ccc(Br)cc2Br)c(F)c1F 2138854322 SQYINNLSNWDMOI-NSHDSACASA-N 458.897 6.113 50 10 JKGE Cl[C@@H](Cc1ccccc1I)c1cc2c(cc1Br)OCC2 2143868420 OESYCCDTGPDLCL-AWEZNQCLSA-N 463.540 5.511 50 10 JKGE COCC1([C@H](Br)c2cc(Br)c(C)cc2Br)CCCCC1 2150580729 NNLKMLBDUOUILW-OAHLLOKOSA-N 469.055 6.553 50 10 JKGE ClCc1ccc(Br)c(Cl)c1N1CC[C@H]2OCCN(Cc3ccccc3)[C@@H]2C1 2185516835 SSWAHZIMNXMHBQ-RTBURBONSA-N 470.238 5.321 50 10 JKGE FC(F)(F)[C@@H]1OC2([C@H](Br)c3c(Cl)sc(Br)c3Cl)CC1C2 2193097031 WMDIHPAEKZFBQD-IJAJPTPBSA-N 474.951 6.363 50 10 JKGE COc1cc(C)c([C@@H](Br)c2c(Br)c(C)nn2C)cc1Br 2198735972 YUXTZCMEDUZBEO-CYBMUJFWSA-N 466.999 5.055 50 10 JKGE FC(F)(F)c1cc(Cl)cc([C@@H](Cl)c2sc(Br)cc2Br)c1 2200837262 ACBXVNRXXBYSTD-SNVBAGLBSA-N 468.947 7.274 50 10 JKGE COc1ccc([C@H](Cl)c2c(Br)cccc2Br)c(Cl)c1Cl 2203433434 OWVRZXONMXCCSF-LBPRGKRZSA-N 459.392 6.855 50 10 JKGE COc1c(C)cc(Br)cc1[C@@H](Cl)c1cccc(F)c1I 2206602824 GRZUNCRGJVEYOC-ZDUSSCGKSA-N 469.519 5.838 50 10 JKGE Clc1cc(Br)c([C@@H](Br)C2CC(Br)C2)c(Cl)c1Cl 2212845294 ZJUOAFRLJWSDAK-UDSLYJHRSA-N 486.256 7.019 50 10 JKGE Clc1cc(Br)c([C@H](Cl)c2ccsc2Br)c(Cl)c1Cl 2217610233 HIBJQRXIFFEQNK-MRVPVSSYSA-N 469.840 7.562 50 10 JKGE Cc1cc(Br)c([C@H](Br)c2cc(Br)cs2)c(C)c1Cl 2217619142 VWNHVIARDMVTSF-GFCCVEGCSA-N 473.455 7.028 50 10 JKGE COc1cc(C)ccc1[C@@H](Br)c1sc(Br)cc1Br 2218604545 XBXXJQINTZODBS-GFCCVEGCSA-N 455.009 6.074 50 10 JKGE Fc1cccc([C@H](Cl)Cc2sc(Br)c(Br)c2Br)c1 2222447178 DYLNXENLDKAUPM-MRVPVSSYSA-N 477.418 6.697 50 10 JKGE Cc1cc(Br)c([C@@H](Br)c2c(Br)cnn2C)c(C)c1Cl 2224301485 AOFPSKJYMSDEJG-LLVKDONJSA-N 471.418 5.700 50 10 JKGE Cc1sc([C@H](Br)[C@@H](C)c2ccncc2Br)c(C)c1Br 2226084003 IKBIEUYMLDWZNC-WPPNPWJKSA-N 468.052 6.525 50 10 JKGE Cc1c(Br)sc([C@H](Br)[C@@H]2OCC[C@H]2C(F)(F)F)c1Br 2231820088 HBGWPINNZHFOJN-LPBLVHEISA-N 486.973 5.985 50 10 JKGE C[C@H](Cl)c1nc2c(F)cc(Br)cc2n1[C@@H]1CCN(Cc2ccccc2)[C@@H]1C 2232915904 JKDDBJNHABUAKQ-PMUMKWKESA-N 450.783 6.073 50 10 JKGE C[C@@]1(Cn2c(CCl)nc3c(F)cc(Br)cc32)CCN(Cc2ccccc2)C1 2232923356 MINUTFVIJPVBSK-OAQYLSRUSA-N 450.783 5.589 50 10 JKGE Fc1cc(Br)c(Br)cc1[C@H](Br)[C@@H]1OC[C@H]2CCCC[C@@H]21 2233982297 SUUYXHYTDVVBJE-UTBFZLOTSA-N 471.002 5.992 50 10 JKGE CCO[C@@H]1CC[C@@H]([C@H](Br)c2c(Br)cc(C)c(Br)c2C)C1 2235605245 QTNSTCBPESPEFM-HSMVNMDESA-N 469.055 6.470 50 10 JKGE CC(C)c1cc(Br)cc([C@H](Br)c2ccc(Br)s2)c1 2254726502 JYTKDNYLOXRJEC-AWEZNQCLSA-N 453.037 6.881 50 10 JKGE Fc1cc(Br)c(F)c(Br)c1[C@@H](Br)c1ccsc1Cl 2259995256 PRQMZXFPPVLGIF-QMMMGPOBSA-N 481.381 6.689 50 10 JKGE COc1sc([C@H](Br)c2cc(F)c(Br)cc2F)cc1Br 2267240719 COQANAJZZKIEGN-LLVKDONJSA-N 476.962 6.044 50 10 JKGE CCc1cc([C@@H](Br)c2c(Br)c(CC)nn2C)sc1Br 2267866598 PNZXICDKMWRDRD-LLVKDONJSA-N 471.056 5.616 50 10 JKGE Fc1cc(F)c([C@@H](Br)c2ccc(Cl)c(I)c2)cc1F 2268281772 XYXRLUPFANPMQE-ZDUSSCGKSA-N 461.446 5.846 50 10 JKGE Fc1cc(C[C@H](Cl)c2cc(Br)ccc2I)ccc1Cl 2277791870 MAPDZDZBRKVFDN-LBPRGKRZSA-N 473.938 6.369 50 10 JKGE COc1c([C@@H](Br)c2cscc2Br)cc(Br)c2c1CCC2 2284594641 MFBYGQXGNPPNIZ-CQSZACIVSA-N 481.047 6.255 50 10 JKGE FC1CC2(C1)CC(COc1c(Br)cc(CBr)cc1Br)C2 2287805626 NYKAGLMXULHHSK-UHFFFAOYSA-N 471.002 6.014 50 10 JKGE C[C@@H]1CCC[C@H]([C@@H](Br)c2c(F)cc(Br)c(F)c2Br)CC1 2288343710 AUMVMPGCVQRUQS-VYUIOLGVSA-N 475.009 7.142 50 10 JKGE CC(C)(CC(F)(F)F)[C@@H](Br)c1c(F)cc(Br)c(F)c1Br 2288498205 DDNPUEPJGQQVEV-JTQLQIEISA-N 488.914 6.904 50 10 JKGE Cc1cc(Br)c(C)c([C@H](Br)[C@]23CCCC[C@H]2CC3)c1Br 2288994696 CFKVRUWCMMDODC-ZLIFDBKOSA-N 465.067 7.235 50 10 JKGE CCOC(=O)c1c(NC(=O)C(C#N)=Cc2ccc(OC(=O)c3ccc(C)cc3)cc2)sc(C)c1C 2293038670 SLXZXOZXXDDDRT-UHFFFAOYSA-N 488.565 5.615 50 10 JKGE COc1ccc(NC(=O)C(C#N)=Cc2c(C)n(Cc3ccc([N+](=O)[O-])cc3)c3ccccc23)cc1 2294168458 LZOQDDVPLDLPGC-UHFFFAOYSA-N 466.497 5.461 50 10 JKGE N#CC(=Cc1ccc(OCc2ccc3ccccc3c2)cc1)C(=O)N1CCN(c2ccccc2)CC1 2294171979 PKTGJDKBUUMCDZ-UHFFFAOYSA-N 473.576 5.675 50 10 JKGE N#CC(=Cc1ccc(-c2cccc([N+](=O)[O-])c2)o1)C(=O)Nc1cc(C(F)(F)F)ccc1Cl 2294818791 CEBXPDWWNMZUKQ-UHFFFAOYSA-N 461.783 6.073 50 10 JKGE Cc1cc(Br)c([C@@H](Br)Cc2ccc(Cl)c(F)c2)cc1Br 2295289097 BZNUEYNXFIMWSW-ZDUSSCGKSA-N 485.416 6.991 50 10 JKGE Cc1ccc(C[C@@H]2SC(=C(C#N)C(=O)Nc3ccccc3C)N(c3ccccc3)C2=O)cc1 2296507131 USIGMUACXOJNFX-DEOSSOPVSA-N 453.567 5.368 50 10 JKGE Cc1cc(C)cc(Oc2nc3ccccn3c(=O)c2C=C(C#N)c2nc3ccccc3s2)c1 2296542814 WCDYLVNQHAOIEA-UHFFFAOYSA-N 450.523 5.778 50 10 JKGE CCOc1ccc(-n2c(C)cc(C=C(C#N)C(=O)OCc3nnc(-c4ccccc4)o3)c2C)cc1 2297486611 GANQTZSUAGQLOV-UHFFFAOYSA-N 468.513 5.193 50 10 JKGE Cc1nsc(Br)c1[C@@H](Cl)c1ccc(OCc2ccccc2)cc1Br 2299489833 SWBBHUJHIJCGNL-KRWDZBQOSA-N 487.644 6.884 50 10 JKGE Brc1cc(OCc2ccccc2)ccc1[C@H](Br)[C@]12CCC[C@@H]1CC2 2299494224 HQNBVGFZFZZTMB-CZAAIQMYSA-N 450.214 7.044 50 10 JKGE COCc1ccc([C@H](Br)c2cc(Br)sc2Br)s1 2299901857 OFTPXTXJLZYJLN-SNVBAGLBSA-N 461.038 5.965 50 10 JKGE Cc1cc([C@@H](Br)c2sc(Cl)cc2I)ccc1Cl 2300953470 JNCBSHCBFPFEIJ-LLVKDONJSA-N 461.977 6.452 50 10 JKGE N#CC(=Cc1ccccc1OCc1ccccc1Cl)C(=O)Nc1sc2c(c1C#N)CCCC2 2313630407 LAKNBEVLXNAYQA-UHFFFAOYSA-N 473.985 6.277 50 10 JKGE Cc1cccc([C@H](Br)c2ccc(OCc3ccccc3)cc2Br)c1Cl 2314448126 FEZMSPMEUURJDJ-HXUWFJFHSA-N 480.627 7.474 50 10 JKGE Fc1cc(Cl)cc([C@H](Br)c2ccc(OCc3ccccc3)cc2Br)c1 2314463577 ZOXHPQWYNKYULE-FQEVSTJZSA-N 484.590 7.305 50 10 JKGE N#CC(=Cc1ccc(N2N=C(c3ccccc3)C[C@@H]2c2ccccc2)cc1)C(=O)NCCc1ccccc1 2314482621 PZCGIOMBQNTLOO-JGCGQSQUSA-N 496.614 6.308 50 10 JKGE CCOC(=O)c1c(NC(=O)C(C#N)=Cc2ccc(-c3cccc(F)c3)o2)sc2c1CCCC2 2314571454 FOACLYZCGRBADZ-UHFFFAOYSA-N 464.518 5.748 50 10 JKGE CC(C)(C)[C@H]1CCc2c(sc3ncn(CC(=O)C(C#N)=C4Nc5ccccc5S4)c(=O)c23)C1 2320729547 GJCYXYLLQRDTCA-AWEZNQCLSA-N 476.627 5.131 50 10 JKGE CCN(Cc1ccc(I)c(Br)c1)[C@@H]1CCC[C@@H]1Br 2325210718 AYJWARRWWJOKTJ-SMDDNHRTSA-N 487.017 5.192 50 10 JKGE C[C@@H]1[C@@H](Br)CCN(Cc2ccc(I)c(Br)c2)[C@@H]1C 2325229879 QEXOXHCXUHAOBH-UMNHJUIQSA-N 487.017 5.048 50 10 JKGE COc1cc(-c2csc(C(C#N)=C(O)c3cccc(Oc4ccccc4)c3)n2)c(OC)cc1Cl 2331377365 PEQBQODDCUXMNC-UHFFFAOYSA-N 490.968 7.223 50 10 JKGE COc1cc(OC)c(-c2csc(C(C#N)=Cc3ccc(C(F)(F)F)cc3)n2)cc1Cl 2331472295 HACARBVRDXFNSA-UHFFFAOYSA-N 450.869 6.564 50 10 JKGE Cc1cc(Br)c(C)c([C@@H](Br)C[C@H]2CC[C@@H]3C[C@H]23)c1Br 2332925511 KEFKYGUEXBOHMX-NMKXLXIOSA-N 451.040 6.701 50 10 JKGE BrCc1ccc(N2CCc3scc(Br)c3C2)cc1Br 2336445505 VMAGGQBEACKDJQ-UHFFFAOYSA-N 466.036 5.731 50 10 JKGE ClCc1ccc(OCc2cc(Br)cc(Br)c2)cc1Br 2337069792 ULNZZDHQCRNNRY-UHFFFAOYSA-N 469.398 6.292 50 10 JKGE FC1CC2(C1)CC(CBr)(Cc1ccc(Cl)c(I)c1)C2 2337228245 VDKKNSNRPNUPCO-UHFFFAOYSA-N 457.552 5.781 50 10 JKGE COCc1ccc([C@H](Br)c2cc(Br)c(C)cc2Br)s1 2342062439 YAFDSDJGEMZJQD-CQSZACIVSA-N 469.036 6.212 50 10 JKGE Brc1cc(C[C@H]2Cc3ccccc3[C@@H]2Br)ccc1I 2349807143 MHOLHNCGYPAYNC-BLLLJJGKSA-N 491.992 5.905 50 10 JKGE ClC[C@@H](NCc1ccc(I)c(Br)c1)[C@@H]1CC=CCC1 2349858977 UFVATZNVXOLURA-IUODEOHRSA-N 454.577 5.107 50 10 JKGE COc1cc(C)c(Cl)cc1[C@@H](Br)c1c(Br)c(Br)nn1C 2364235736 PPKVNFDAWTWWHS-SNVBAGLBSA-N 487.417 5.400 50 10 JKGE CCc1cc(Br)c([C@@H](Br)Cc2ccc(OC)cc2Br)s1 2364261757 TUFDPYVVAMIEMC-ZDUSSCGKSA-N 483.063 6.523 50 10 JKGE Cc1cc(Br)c(F)c(Br)c1[C@H](Br)C1(C)C(C)(C)C1(C)C 2365220596 WRSCMMUFPVPTET-ZDUSSCGKSA-N 471.046 7.167 50 10 JKGE C[C@H](Cl)C[C@H]1CCCCCN1Cc1ccc(I)c(Br)c1 2377336513 CFRODHQGKZCKPC-GXTWGEPZSA-N 470.620 5.816 50 10 JKGE CCN(C[C@@](C)(CBr)OCc1cc(C(C)(F)F)ccn1)C(=O)OC(C)(C)C 2381512556 QDURMICEWYPOCD-GOSISDBHSA-N 451.352 5.121 50 10 JKGE N#C/C(=C/c1cn(Cc2cccc3ccccc23)c2ccccc12)C(=O)Nc1cccc(Cl)c1 2775776 NIUTWAJTGAYDPL-JCMHNJIXSA-N 461.952 7.042 50 10 JKGE COc1cccc(N/C(SCc2ccccc2F)=C(/C#N)C(=O)NCc2cccs2)c1 3058993 YEYUBMSKTSBEEC-BSYVCWPDSA-N 453.564 5.293 50 10 JKGE aggregator CC[C@@H](C)c1ccc(OCC(=O)NNC(=O)c2ccc(C(C)(C)C)cc2)c(Br)c1 14832310 WFRYMUDBBCJACB-OAHLLOKOSA-N 461.400 5.100 50 10 JKGE N#C/C(=C/c1cn(Cc2cccc(Br)c2)c2ccccc12)S(=O)(=O)c1ccccc1 33307334 KVCWMKSRXLLKSL-HMAPJEAMSA-N 477.383 5.790 50 10 JKGE C[S@](=O)(=N/C=C(/C#N)C(=O)c1ccccc1)c1ccc(OC(=O)c2ccc(Cl)cc2)cc1 33736630 VGCMVZYDLIQUAJ-WCSCOEHRSA-N 464.930 5.306 50 10 JKGE CCCCOc1ccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4ccccc4[N+](=O)[O-])ccc32)cc1 38650803 HPEIMCPYULIILV-RUZDIDTESA-N 485.496 5.211 50 10 JKGE CC(C)COc1ccc(C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@H]3c2cccc(Cl)c2)cc1 38651214 YVIZTHVQFMHDDO-VWLOTQADSA-N 474.944 5.812 50 10 JKGE C[C@H](Oc1ccccc1F)C(=O)Oc1ccc2c(c1)OC(N)=C(C#N)[C@@H]2c1ccc(Cl)c(Cl)c1 38655899 DOULGPJZEZZIFY-ZAMGYDSWSA-N 499.325 5.724 50 10 JKGE CCCCCOc1ccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)COc4ccccc4C)ccc32)cc1 38685325 YCEHHPHBRUMPLW-LJAQVGFWSA-N 498.579 5.767 50 10 JKGE CCCCC1CCC(C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@H]3c2ccc(Cl)cc2Cl)CC1 38688301 PRHGMOWASFKXQP-SBSMMSGMSA-N 499.438 7.114 50 10 JKGE CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(OC)cc2)ccc1OCc1ccc(Cl)cc1Cl 40007325 YNPHTOSVANNARH-XDHOZWIPSA-N 497.378 6.525 50 10 JKGE CCCCCOc1ccc(C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@H]3c2cccc(OC)c2)cc1 40527353 VIHTULRMZBNGNM-MHZLTWQESA-N 484.552 5.702 50 10 JKGE CCOc1cc(/C=C(\C#N)C(=O)NCc2ccco2)ccc1OC(=O)c1cccc2ccccc12 40946967 SBHRLFMAUMWXRN-RCCKNPSSSA-N 466.493 5.274 50 10 JKGE COc1cc(/C=N/NC(=O)[C@H](C)Oc2ccc(C(C)(C)C)cc2)ccc1OCc1ccc(Cl)cc1 40961456 ZJOQOSBGJGGWKA-WMMCOQJOSA-N 495.019 6.143 50 10 JKGE O=C(CC[C@@H](O)c1ccccc1)N/N=C/c1ccc(Oc2ccc(C(F)(F)F)cc2[N+](=O)[O-])cc1 58888082 DRSINBZMZIGUQL-KZJCWCHPSA-N 487.434 5.370 50 10 JKGE N#C/C(=C/c1cn(Cc2ccc(Br)cc2)c2ccccc12)C(=O)Nc1ccccc1Cl 59117309 ZWBAMBKBGHDJPV-AQTBWJFISA-N 490.788 6.651 50 10 JKGE Cc1cc(/C=N/NC(=O)c2cc3cc(Br)ccc3o2)c(C)n1-c1ccccc1C(=O)O 59304008 ISBJGZKKVNVKMD-BRJLIKDPSA-N 480.318 5.065 50 10 JKGE C=CCc1cc(/C=C(\C#N)C(=O)N2CCN(c3ccccc3)CC2)ccc1OCc1cccc(C)c1 59333256 XPMVTXYASIMHPI-SGWCAAJKSA-N 477.608 5.558 50 10 JKGE CCOc1c(Br)cc(/C=C(/C#N)C(=O)Nc2sccc2C(=O)OC(C)C)cc1OC 96438758 LCTLOLUMSNFEOK-ZSOIEALJSA-N 493.379 5.029 50 10 JKGE Cc1cc(Br)ccc1[C@@H](Br)c1cc2c(cc1Br)OCCO2 109865490 MMXTXFRCHNDEBF-MRXNPFEDSA-N 476.990 5.776 50 10 JKGE Cc1cc(Br)c([C@H](Br)c2ccc(I)cc2)s1 114542701 ZQVAQADGDQKBEI-LLVKDONJSA-N 471.983 5.908 50 10 JKGE Clc1cccc(Cl)c1CC(CBr)(CBr)Cc1ccccc1 118875667 HURZTEHAVNSRIX-UHFFFAOYSA-N 451.029 6.555 50 10 JKGE CCOc1ccc([C@@H](Br)c2cc(F)ccc2Br)c(Br)c1 123752640 OGAWIAKLVRLYFM-OAHLLOKOSA-N 466.970 6.234 50 10 JKGE Fc1cc(Br)cc(F)c1[C@@H](Cl)c1cc(Br)c(Br)s1 128126051 OQKSXDMXDOMCPV-JTQLQIEISA-N 481.381 6.642 50 10 JKGE CCOc1ccc([C@H](Br)c2ccc(Br)c(Cl)c2)c(Br)c1 129203610 GFCGNXBGLZIJDP-OAHLLOKOSA-N 483.425 6.748 50 10 JKGE Fc1ccc(-n2c(CCl)nc3cc(I)c(F)cc32)cc1Br 164242655 VNIVPKSOTRMYMC-UHFFFAOYSA-N 483.481 5.410 50 10 JKGE CCOC(=O)/C(C#N)=C/c1cccc(OC(=O)/C=C\c2ccc(OCc3ccccc3C)c(OC)c2)c1 206692055 XVNXBMAFIPPIMW-YPDRAKGZSA-N 497.547 5.672 50 10 JKGE Fc1ccc(Br)c([C@H](Br)c2cc(Br)cc3c2OCC3)c1 228442178 ICGDOTIYOUJASE-AWEZNQCLSA-N 464.954 5.770 50 10 JKGE Cc1cc([C@H](Cl)c2cc(I)ccc2Br)cc(C)c1F 235882339 CVTDPKZSZZZMLQ-AWEZNQCLSA-N 453.520 6.138 50 10 JKGE Fc1cc([C@H](Br)c2cc(Br)c(Br)s2)ccc1Cl 236234310 HUKJXACEUIGAHU-JTQLQIEISA-N 463.391 6.550 50 10 JKGE CCCCCCCCCC(=O)NN=Cc1ccc(OC(=O)c2ccc(OCCCC)cc2)c(OC)c1 254571677 GFCCZGKOVUVVDH-UHFFFAOYSA-N 496.648 6.684 50 10 JKGE CCCCCC[C@@H](C=NNC(=O)c1cccc(S(=O)(=O)N2CCCCC2)c1)Cc1ccccc1 254758438 GUVCDVDQTQQICL-XMMPIXPASA-N 483.678 5.406 50 10 JKGE CCCCOc1ccc(C=NNC(=O)COc2ccc(C(C)(C)c3ccccc3)cc2)cc1OC 256017249 YASFSVZVBXVGRU-UHFFFAOYSA-N 474.601 5.729 50 10 JKGE Cc1cc(C(=O)[C@H](C)Cl)c(C)n1-c1ccc(Br)c(I)c1 312301482 UKMBAYNOMIQVQG-VIFPVBQESA-N 466.544 5.271 50 10 JKGE ClCc1cc(Br)cc(Br)c1OCc1coc(Br)c1 378976512 OPBHGZUKORDXJF-UHFFFAOYSA-N 459.359 5.885 50 10 JKGE Clc1ccc([C@H]2CN(Cc3ccccc3)C[C@H]2CI)cc1Br 382680822 CGBLXCSLXPJCHS-HZPDHXFCSA-N 490.610 5.753 50 10 JKGE C[C@H](Cl)c1nc2cc(Br)c(F)cc2n1[C@@H]1CN(Cc2ccccc2)C[C@@H]1C 389875343 TUZCJAFRZPVSRQ-PJSUUKDQSA-N 450.783 5.931 50 10 JKGE CC(C)(CBr)CCCNC(=O)c1cc(Br)ccc1Br 393388020 NJNNTJHWHLSVSK-UHFFFAOYSA-N 456.016 5.143 50 10 JKGE FC(F)(F)c1cccc(-c2c(Cl)c(Cl)c(Cl)c(Cl)c2Cl)c1CBr 514254027 VQICPUYRAPHLCL-UHFFFAOYSA-N 487.357 8.534 50 10 JKGE CC(C)(C)[Si](C)(C)OCC[C@@H]1CNc2ccccc2N1CCO[Si](C)(C)C(C)(C)C 616583167 ADSOYTVHJRFFTG-HXUWFJFHSA-N 450.816 6.721 50 10 JKGE CC(C)(C)OC(=O)NCCN1CCOC[C@@H]1c1ccccc1CO[Si](C)(C)C(C)(C)C 616600719 HZQNDRDGCUWHCM-OAQYLSRUSA-N 450.696 5.106 50 10 JKGE Clc1cc([C@H](Br)c2ccc(C3CC3)s2)ccc1I 707924115 FABGJIQRIJUCOS-AWEZNQCLSA-N 453.570 6.368 50 10 JKGE C[C@@H]1CN(Cc2ccccc2)C[C@@H]1Cn1c(CCl)nc2cc(Br)c(F)cc21 708573323 IMYVYOKNFRMSNV-GDBMZVCRSA-N 450.783 5.445 50 10 JKGE CN(C[C@@H]1CCCN(Cc2ccccc2)C1)c1cc(Br)ccc1CBr 720015601 BFJXUPWXUQXCLR-SFHVURJKSA-N 466.261 5.692 50 10 JKGE Cc1cc([C@H](Cl)c2ccc(I)c(Br)c2)c(Cl)cc1F 721601871 IFOVGIBGQCMQAN-CQSZACIVSA-N 473.938 6.483 50 10 JKGE Fc1ccc([C@@H](Cl)c2cccc(F)c2I)c(F)c1Br 721717376 ATWKBCPMLDEODP-LLVKDONJSA-N 461.446 5.799 50 10 JKGE O=C(N[C@@H](CCBr)C1CCCC1)c1cc(Br)sc1Br 725076857 KDQQILLATCIXEZ-JTQLQIEISA-N 474.056 5.347 50 10 JKGE CO[C@@H]1C[C@H]2[C@@H]3CC[C@H]([C@H](C)CI)[C@@]3(C)CC[C@@H]2[C@@]2(C)CC[C@H]3C[C@@]312 725237742 PIDUBCKMZBAFGU-KCILANFMSA-N 456.452 6.341 50 10 JKGE CCc1ccccc1NC(=O)c1oc2c(c1C)C(=NNC(=O)c1ccc(Cl)cc1Cl)CCC2 1772747854 LIBDHBRQRNVQLC-UHFFFAOYSA-N 484.383 6.180 50 10 JKGE Cc1c(C(=O)Oc2ccc3ccccc3c2)oc2c1C(=NNC(=O)c1ccccc1O)CCC2 1772751618 HVBUJCZYCBLUOO-UHFFFAOYSA-N 454.482 5.136 50 10 JKGE CCOc1ccc(C=NNC(=O)COc2ccc(C(C)(C)c3ccccc3)cc2)cc1OCC 1772754374 SCZYADPUUJMWGY-UHFFFAOYSA-N 460.574 5.339 50 10 JKGE N#CSc1ccc(NC(=O)Oc2ccc(CNC(=O)COc3ccc(Cl)cc3)cc2)cc1 1858899031 RZOYPYNKNCOIOZ-UHFFFAOYSA-N 467.934 5.219 50 10 JKGE COc1ccc(OCCCC(=O)NNC(=O)c2ccc(-c3ccc4ccccc4c3)s2)cc1 1860391944 YOIZOQHUMVTQEG-UHFFFAOYSA-N 460.555 5.197 50 10 JKGE CCCOc1cccc([C@@H]2C(C#N)=C(N)Oc3c2c(-c2ccc(OC)cc2)nn3-c2ccccc2)c1 1865694493 WJFHMIASZJHZEF-RUZDIDTESA-N 478.552 5.555 50 10 JKGE CCCn1nc(-c2ccccc2)c2c1OC(N)=C(C#N)[C@H]2c1ccccc1OCc1ccccc1Cl 1865703284 SHPXJZRPBADCMH-RUZDIDTESA-N 496.998 6.411 50 10 JKGE N#CC1=C(N)Oc2c(c(C(F)(F)F)nn2Cc2ccccc2F)[C@@H]1c1ccc(Br)cc1 1865714777 PXHRYYFJWAMBSU-MRXNPFEDSA-N 493.258 5.070 50 10 JKGE COc1ccc2c(c1)C[C@H](C)CN2c1cc(Nc2ccc(SC#N)cc2)nc(-c2cccnc2)n1 1868566170 VSPRZQZMBCSYOX-SFHVURJKSA-N 480.597 6.194 50 10 JKGE COc1ccc(/C=C2\Oc3c(ccc(OCc4ccc(CCl)cc4)c3C)C2=O)cc1OC 1871436611 HNWQWSBHYVMQJU-CFRMEGHHSA-N 450.918 5.946 50 10 JKGE CCOc1ccc(CC/C(O)=C(\C#N)c2nc(-c3ccc4ccccc4c3)cs2)cc1OC 1872745202 DSUCUKXNZFEHMY-GYHWCHFESA-N 456.567 6.796 50 10 JKGE CC(C)[C@H](/C(O)=C(\C#N)c1nc(-c2cccc(Cl)c2)cs1)N1C(=O)c2ccccc2C1=O 1872747970 AXQTZDRAQLLIQD-HWCXCKHPSA-N 463.946 5.577 50 10 JKGE N#C/C(=C(/O)c1ccc(N2C(=O)c3ccccc3C2=O)cc1)c1nc(-c2ccc3c(c2)OCO3)cs1 1872752624 LNHMMWOGHFCOAS-GFMRDNFCSA-N 493.500 5.289 50 10 JKGE N#C/C(=C\c1c(OCc2ccccc2)ccc2ccccc12)c1nc(-c2ccc(Cl)cc2)cs1 1872790142 NIXGGQCZCWLGPI-XQNSMLJCSA-N 479.004 8.260 50 10 JKGE Cc1c(Br)sc([C@H](Br)C(C2CCC2)C2CCC2)c1Br 1922899436 CDEPYUXQDMKJKA-CYBMUJFWSA-N 471.096 7.234 50 10 JKGE Cc1cc(Br)ccc1[C@@H](Cl)c1sc(Br)cc1Br 1922940282 KRLRCVMWOXDTOH-LLVKDONJSA-N 459.428 6.672 50 10 JKGE Fc1cccc(F)c1C[C@H](Br)c1sc(Br)cc1Br 1922945177 DEMJATVOQUYFHU-ZETCQYMHSA-N 460.963 6.230 50 10 JKGE Clc1c(Br)sc(Br)c1[C@H](Br)C1CCC2(CC1)CC2 1923039743 QOTSILGXTAPXHS-SECBINFHSA-N 477.487 7.333 50 10 JKGE Clc1ccc([C@@H](Cl)c2c(Cl)sc(Br)c2Cl)cc1Br 1925589158 SBGLSIBOMRGCHO-MRVPVSSYSA-N 469.840 7.562 50 10 JKGE COc1cccc(OC)c1[C@@H](Br)c1c(Cl)sc(Br)c1Cl 1925597010 ALBFAWHDOUYKHC-SNVBAGLBSA-N 461.002 6.319 50 10 JKGE COc1cc(OC)cc([C@H](Br)c2c(Cl)sc(Br)c2Cl)c1 1925599000 LRARPBSBFKARHL-JTQLQIEISA-N 461.002 6.319 50 10 JKGE CCc1cc(C)sc1[C@@H](Br)c1csc(Br)c1Br 1945189900 BVMMVSADFKOCJB-VIFPVBQESA-N 459.066 6.690 50 10 JKGE Brc1sc(Br)c([C@H](Br)[C@@H]2[C@@H]3CCO[C@H]32)c1Br 1983249760 OQBOZLMJSDFPPC-BTXXDMFISA-N 495.856 5.507 50 10 JKGE C[C@H]([C@@H](Br)c1c(Br)sc(Br)c1Cl)C(F)(F)F 1984587091 WBTVOSNQJHGDSK-VVJJHMBFSA-N 465.354 6.561 50 10 JKGE C[C@]1(C(F)(F)F)C[C@H]1[C@@H](Br)c1cc(Br)c(Br)s1 1998660563 JCQLGBFMLMWMSR-QTLDAMRXSA-N 456.947 6.298 50 10 JKGE CC(F)(F)C1([C@@H](Br)c2cc(Br)c(Br)s2)CCC1 2016004079 OKRUHMKINXRPKU-QMMMGPOBSA-N 452.984 6.535 50 10 JKGE Brc1cc([C@H](Br)[C@@]23CCCC[C@H]2OCC3)c(Br)s1 2031752687 QPJXLNKCAXQTBJ-SUZMYJTESA-N 459.041 6.058 50 10 JKGE CC(C)(C)C1CC([C@@H](Cl)c2c(Br)sc(Br)c2Br)C1 2043033453 CEVTVTSJCIZZCG-HNQUHTCLSA-N 479.503 7.388 50 10 JKGE CC[C@H](C)N(Cc1ccccc1)S(=O)(=O)c1cc(CBr)cc(C)c1Br 2059286561 NDXLRSFGLJIWJP-HNNXBMFYSA-N 489.273 5.642 50 10 JKGE Cc1cc(Br)c(C)c([C@@H](Cl)c2sncc2Br)c1Br 2081073241 DHNIIMLAUGGDPM-LLVKDONJSA-N 474.443 6.376 50 10 JKGE Cc1cc([C@@H](Cl)c2scc(C(F)(F)F)c2Br)c(Br)s1 2101013458 CLCJPLDEMGHXBN-MRVPVSSYSA-N 454.558 6.990 50 10 JKGE C[C@H](CCBr)CCN(CCCNC(=O)OC(C)(C)C)c1cccc(Br)c1 2106788485 PUCLIBROLYWWBN-MRXNPFEDSA-N 492.296 5.982 50 10 JKGE COc1ccc([C@H](Cl)c2cc(I)ccc2F)cc1Br 2113357449 GFMXSNCDIUNRAY-AWEZNQCLSA-N 455.492 5.530 50 10 JKGE Cl[C@@H](CCc1ccc(Br)cc1Br)c1cccc(Br)c1 2113442553 SHCOMZNYVJPYQE-HNNXBMFYSA-N 467.426 6.887 50 10 JKGE Cl[C@H](CCc1cccc(Br)c1Br)c1cccc(Br)c1 2113442900 WFGFAJQZVSWZJB-CQSZACIVSA-N 467.426 6.887 50 10 JKGE Cc1cc(F)c(C[C@H](Br)c2cccc(Br)c2)c(Br)c1 2116782060 KYPVCFWRLJWLJF-ZDUSSCGKSA-N 450.971 6.338 50 10 JKGE F[C@@H](COc1c(Br)cc(Br)cc1CBr)C1CCCC1 2121598711 LYYAGAKHEJJMTP-ZDUSSCGKSA-N 458.991 6.014 50 10 JKGE CCc1ccc([C@H](Br)c2c(C)c(Br)cc(C)c2Br)o1 2136379689 NCRVQGGQPVNKQW-HNNXBMFYSA-N 450.996 6.468 50 10 JKGE CC[C@@H](CC(C)C)[C@H](Br)c1c(C)c(Br)cc(C)c1Br 2136383442 GNIIFNMCQYLXRI-LRDDRELGSA-N 455.072 7.337 50 10 JKGE Cc1cc(Cl)c(Br)cc1[C@H](Br)c1cc(Br)ccc1Cl 2137643538 SVDWXFKZAJHRDQ-AWEZNQCLSA-N 487.844 7.311 50 10 JKGE ClCc1nc2cncc(Br)c2n1-c1ccc(Br)cc1Br 2151789287 GWQUJQNHLYTQQR-UHFFFAOYSA-N 480.385 5.447 50 10 JKGE Cc1sc(Br)cc1[C@@H](Br)c1cc(Br)c2c(c1)C[C@H](C)O2 2152048820 ZXRUAZLAYUDCMA-WJWGPLDTSA-N 481.047 6.389 50 10 JKGE CN([C@@H]1CC(C)(C)[C@@H]1OCc1ccccc1)S(=O)(=O)c1cc(CCl)sc1Br 2156442851 OSXXSDOXOUBCII-NVXWUHKLSA-N 492.888 5.254 50 10 JKGE O=C(c1cc(Br)sc1Br)N1C[C@@]2(CBr)CCC[C@]2(F)C1 2176631471 ZMLUHMWWUZLSQL-STQMWFEESA-N 490.030 5.002 50 10 JKGE CC[C@H](CC(F)(F)F)[C@@H](Br)c1c(C)c(Br)cc(C)c1Br 2201061792 IHNSRQBTNRTRCD-NOZJJQNGSA-N 480.988 7.243 50 10 JKGE Cc1cc(Br)c(C)c([C@H](Br)C2CC(C(F)(F)F)C2)c1Br 2201066993 GUYGCULMJMOUHK-KJHLLKJSSA-N 478.972 6.853 50 10 JKGE COc1cc(F)c([C@H](Br)Cc2ccccc2Br)cc1Br 2202912896 KOSNCQJPLQXTHL-GFCCVEGCSA-N 466.970 6.038 50 10 JKGE Cc1c(Br)ccc([C@H](Br)c2ccc3c(c2)CCO3)c1Br 2203689673 ZIJLIRGPUXZXTP-MRXNPFEDSA-N 460.991 5.939 50 10 JKGE Fc1cc(Br)cc(CCl)c1OCc1ccc(I)c(Cl)c1 2208035184 CNGHIUUZRFSCSQ-UHFFFAOYSA-N 489.937 6.164 50 10 JKGE CCCCCCc1ccc([C@H](Br)c2cc(I)sn2)s1 2225760990 MBGGRAPRQNDGQB-CQSZACIVSA-N 470.239 6.416 50 10 JKGE Cc1cc(Br)c([C@H](Br)[C@H]2CCC[C@H](C)C2)c(C)c1Br 2227352388 CBJJTJYJTJJXIU-RVIYUIFMSA-N 453.056 7.091 50 10 JKGE Fc1ccc(Cl)cc1[C@H](Br)c1c(Br)cc(Cl)c(Cl)c1Cl 2232509057 BPDJCXOQCYNFSV-NSHDSACASA-N 481.801 7.686 50 10 JKGE Fc1ccc([C@H](Br)c2c(Br)cc(Cl)c(Cl)c2Cl)cc1F 2232515089 YPCZGXANFOOURA-NSHDSACASA-N 465.346 7.172 50 10 JKGE O=C(c1cc(Br)sc1Br)N1C[C@H]2CCCC[C@]2(CBr)C1 2239154374 ATWCZKHBEHZEBT-OTYXRUKQSA-N 486.067 5.300 50 10 JKGE COc1cc(Br)c([C@H](Cl)c2cc(C)ccc2I)cc1C 2241002472 VPWHNBDRAAFWGX-INIZCTEOSA-N 465.556 6.007 50 10 JKGE Fc1cc(Br)c(F)c(Br)c1[C@@H](Br)[C@H]1C[C@@H](Br)C1 2250784933 NPCNBWIMGBOTAS-ZDEZVYLVSA-N 497.797 6.099 50 10 JKGE Cl[C@H](Cc1cc(Br)cc(Br)c1)c1ccc(OCc2ccccc2)cc1 2263514029 VYBRCNCSNVOUAQ-OAQYLSRUSA-N 480.627 7.313 50 10 JKGE CCc1cc([C@H](Br)Cc2ccc(Br)cc2F)sc1Br 2267766611 UKZFKRIHQFVMLU-LLVKDONJSA-N 471.027 6.653 50 10 JKGE COc1ccc([C@H](Cl)Cc2ccccc2Br)cc1I 2269551377 YKBQXQXHNVHWMG-CYBMUJFWSA-N 451.529 5.585 50 10 JKGE CCO[C@@H]1CC[C@@H]([C@@H](Br)c2c(F)cc(Br)c(F)c2Br)C1 2288346060 HOYCDOZFMSZRHM-DNSOKLHBSA-N 476.981 6.131 50 10 JKGE Cc1ccc(C[C@@H]2SC(=C(C#N)C(=O)NCc3ccccc3)N(c3ccc(Cl)cc3)C2=O)cc1 2293039162 KFPCPYPHHLONNI-DEOSSOPVSA-N 488.012 5.391 50 10 JKGE COc1cc(C=C(C#N)C(=O)Nc2cccc(C(F)(F)F)c2)ccc1OCc1ccc(C(=O)O)cc1 2293205604 VNDPPMYZUPEYBD-UHFFFAOYSA-N 496.441 5.537 50 10 JKGE Brc1cc(Br)cc(C[C@H](Br)[C@@H]2C[C@H]3CCC[C@H](C3)C2)c1 2295331830 OPIMSEPXGDKPCF-RKCSVJPLSA-N 465.067 6.734 50 10 JKGE COC(=O)c1ccc(NC=C(C#N)c2nc(-c3cc4c(ccc5ccccc54)oc3=O)cs2)cc1 2296798394 OJXRUNKEJZGBRC-UHFFFAOYSA-N 479.517 5.833 50 10 JKGE COc1cc(C=C(C#N)C(=O)Nc2nc3ccccc3s2)ccc1OCCOc1cccc(C)c1 2297500069 IHBZQIJKISKEHM-UHFFFAOYSA-N 485.565 5.617 50 10 JKGE N#CC(=Cc1ccc(OCc2ccc([N+](=O)[O-])cc2)cc1)C(=O)Nc1nc2ccccc2s1 2297500406 VWXRKGCUSDIWAZ-UHFFFAOYSA-N 456.483 5.329 50 10 JKGE Cc1ccc(NC(=O)C(C#N)=Cc2cn(Cc3ccc(Cl)cc3Cl)c3ccccc23)cc1 2313541111 TWZKUWLRAKYYQA-UHFFFAOYSA-N 460.364 6.851 50 10 JKGE COc1cccc(C=C(C#N)C(=O)Nc2ccc(Cl)c(Cl)c2)c1OCc1ccccc1 2313630577 CCHIRIXRNPQHCS-UHFFFAOYSA-N 453.325 6.127 50 10 JKGE CCCCOc1ccc(C=CC(=O)Oc2ccc(C=C(C#N)c3ccc(Cl)cc3)cc2OC)cc1 2314734886 JUHJHOBJXMNXBF-UHFFFAOYSA-N 487.983 7.210 50 10 JKGE COc1cc(C=C(C#N)c2ccc(Cl)cc2)ccc1OC(=O)COc1cccc(C(C)C)c1 2314737517 QXPMHSVDPVRTHE-UHFFFAOYSA-N 461.945 6.521 50 10 JKGE CCN[C@@H](c1c(Cl)cc(Br)c(F)c1Br)[C@@H]1C[C@@H]1Br 2315458562 NZTSWTVJACPWRP-ZWBHMBAVSA-N 464.398 5.438 50 10 JKGE Clc1cc(I)c([C@H](Br)[C@@]23CCCC[C@@H]2OCC3)s1 2316659632 VLBHUUKBLKZBGB-TVYUQYBPSA-N 461.590 5.791 50 10 JKGE C[C@H]1CCc2c(sc3ncnc(SCC(=O)C(C#N)=C4Nc5ccccc5S4)c23)C1 2320729530 BYXYQKIGOWMSSL-LBPRGKRZSA-N 450.614 5.430 50 10 JKGE COc1cc(OC)c(OC)cc1C=C1Oc2cc(OCc3cccc(CCl)c3)cc(C)c2C1=O 2325363396 OCHMXFLTBALCJW-UHFFFAOYSA-N 480.944 5.955 50 10 JKGE COc1ccc(-c2csc(C(C#N)=C(O)c3ccccc3I)n2)cc1 2331276588 SSADKIOMZCPZKN-UHFFFAOYSA-N 460.296 5.373 50 10 JKGE C[C@H](Oc1ccc(Cl)cc1Br)C(O)=C(C#N)c1nc(-c2ccc(F)cc2F)cs1 2331292859 PHQAGSBHXBYMRJ-JTQLQIEISA-N 497.748 6.764 50 10 JKGE COc1ccc(-c2csc(C(C#N)=C(O)CCCCCNC(=O)c3ccccc3)n2)cc1Cl 2331399392 FTKKGSIRYGQDQY-UHFFFAOYSA-N 482.005 6.255 50 10 JKGE FC(F)c1ccc([C@@H](Br)c2cc(Br)ccc2OCc2ccccc2)cc1 2336085850 HPBAWFIQLNHNGM-HXUWFJFHSA-N 482.162 7.450 50 10 JKGE Fc1c(Br)cc(Cl)c([C@@H](Br)[C@H]2CCCOCC2)c1Br 2337103383 JFYPCAYTNSPZEF-CPCISQLKSA-N 479.409 6.257 50 10 JKGE Clc1ccc(CN2[C@H]3CC[C@@H]2C[C@H](CBr)C3)cc1I 2337213751 CNEJLVJHPBUZSI-CLLJXQQHSA-N 454.577 5.083 50 10 JKGE Cc1c(F)ccc([C@H](Cl)c2cc(Br)ccc2OCc2ccccc2)c1Cl 2338566705 PXISINWLKGNZLY-NRFANRHFSA-N 454.166 7.457 50 10 JKGE Brc1ccc(Br)c([C@@H](Br)[C@H]2C[C@H]3CCC[C@H]2CC3)c1 2338742463 WIDORPUHPKAMMK-GPMKHBRKSA-N 451.040 6.864 50 10 JKGE Cc1c(Br)ccc([C@H](Br)C23CC(C[C@@H](C)O2)C3)c1Br 2342245406 XNQLEBLCEDPLCG-KUCNRTQHSA-N 453.012 5.914 50 10 JKGE COC[C@@H]1CC[C@H](Cc2ccc(I)c(Br)c2)C[C@H]1Cl 2349780775 ITCWBPOHGAEOOW-MBNYWOFBSA-N 457.577 5.266 50 10 JKGE Fc1cc(Cl)c(Br)c(Cl)c1[C@H](Br)Cc1ccc(Cl)cc1 2360422511 ICUVIMVFUSZIIP-SECBINFHSA-N 461.383 7.227 50 10 JKGE COc1c(Br)cc(C)c([C@H](Br)[C@@H]2CCC[C@H]3C[C@H]32)c1Br 2365187599 BTXUVIWJCJIBPH-ICUOPCATSA-N 467.039 6.401 50 10 JKGE Cc1ccc([C@H](Cl)c2c(C)cc(Br)c(F)c2Br)cc1Br 2365222397 CRBPNSMILDKELM-AWEZNQCLSA-N 485.416 7.058 50 10 JKGE Clc1ccccc1[C@@H](CBr)OCc1c(Br)cccc1Br 2366183587 XNVQPVCQOHQSDL-OAHLLOKOSA-N 483.425 6.518 50 10 JKGE COC1(C(F)F)CC([C@H](Br)Cc2cc(Br)cc(Br)c2)C1 2369092503 KICMNFZDMVIZQN-VTGPFMDVSA-N 476.981 5.578 50 10 JKGE C[C@H](Cl)C[C@@H]1CCCCCN1Cc1ccc(I)c(Br)c1 2377336514 CFRODHQGKZCKPC-JSGCOSHPSA-N 470.620 5.816 50 10 JKGE COc1ccc(-c2csc(/C(C#N)=C\c3ccc(I)cc3)n2)cc1OC 33398826 QQEPUGCRGXTGMV-DHDCSXOGSA-N 474.323 5.496 50 10 JKGE CC(C)c1ccc(O[C@H](C)C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@@H]3c2ccccc2Cl)cc1 38651090 QCPFJPMTEVKLSV-WGDIFIGCSA-N 488.971 6.054 50 10 JKGE N#CC1=C(N)Oc2cc(OC(=O)C(c3ccccc3)c3ccccc3)ccc2[C@H]1c1cccc(Cl)c1 38651265 SVTZAHVGAMKDOK-MUUNZHRXSA-N 492.962 6.296 50 10 JKGE CCOc1cccc(C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@@H]3c2ccc(Br)cc2)c1 38651751 NVIHRTFQZGEFAE-HSZRJFAPSA-N 491.341 5.285 50 10 JKGE CC(C)c1ccc(OCC(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@@H]3c2ccc(F)cc2)cc1 38653091 HIAGKMCMLWVKDH-AREMUKBSSA-N 458.489 5.152 50 10 JKGE N#CC1=C(N)Oc2cc(OC(=O)Cc3cccc4ccccc34)ccc2[C@@H]1c1cccc2ccccc12 38657846 SGKIWMZPRXBAAW-HKBQPEDESA-N 482.539 6.359 50 10 JKGE N#CC1=C(N)Oc2cc(OC(=O)Cc3ccccc3)ccc2[C@@H]1c1c(Cl)cccc1Cl 38680084 QYORBSJTYBRUPH-QFIPXVFZSA-N 451.309 5.360 50 10 JKGE CCCOc1ccccc1[C@H]1C(C#N)=C(N)Oc2cc(OC(=O)c3oc4ccccc4c3C)ccc21 38700636 YCZUHBKSALZXAS-AREMUKBSSA-N 480.520 5.967 50 10 JKGE CCc1ccccc1OCC(=O)N/N=C/c1ccc(OCc2ccc(Cl)cc2)c(OC)c1 40888523 DPLLYHFTUAZUFO-JFLMPSFJSA-N 452.938 5.019 50 10 JKGE CCOc1ccc2ccccc2c1/C=N/NC(=O)COc1ccc(Br)cc1C(C)(C)C 40912181 FUKWMBNTYXULQA-JFLMPSFJSA-N 483.406 5.828 50 10 JKGE CC1CCC(NC(=O)[C@H](c2ccc(F)cc2)N(Cc2ccccc2Cl)C(=O)CCl)CC1 97914712 OBZFLTBWOFJIST-JCJCGPQSSA-N 465.396 5.483 50 10 JKGE C=CCOc1ccc(-c2nn(-c3ccccc3)cc2/C=C2/C(=O)N(CCCC)C(=O)C(C#N)=C2C)cc1 101333039 YUIPTUBIUAANFJ-NLRVBDNBSA-N 492.579 5.496 50 10 JKGE N#C/C(=C/c1ccc([N+](=O)[O-])cc1)C(=O)Nc1ncc(Cc2cccc(Cl)c2Cl)s1 102966129 QXRFCYQGPBSAKX-ZSOIEALJSA-N 459.314 5.495 50 10 JKGE N#C/C(=C/N1CCN(C(c2ccccc2)c2ccccc2)CC1)C(=O)Nc1cccc(Cl)c1 102984679 LLXRUHXDTNFNEW-ATJXCDBQSA-N 456.977 5.093 50 10 JKGE Cc1ccc(C(C)C)c(OCC(=O)N/N=C2/C(=O)N(Cc3ccccc3Cl)c3ccccc32)c1 103740834 ZGKACQIYIVFSQG-URGPHPNLSA-N 475.976 5.218 50 10 JKGE CCCCCCCCCCCCCC(=O)N/N=C/c1ccc(OCc2ccccc2)c(OC)c1 105055670 PFYYNHTZTTUHFD-JJKYIXSRSA-N 466.666 7.425 50 10 JKGE COc1cc(Br)c([C@H](Br)c2c(Cl)cccc2Cl)cc1OC 109860331 QKSPMQCAAVJMLP-HNNXBMFYSA-N 454.973 6.257 50 10 JKGE Clc1ccc(Cl)c([C@@H](Br)c2cc3c(cc2Br)OCCO3)c1 109865636 QHGWMTJOJNAOIL-HNNXBMFYSA-N 452.957 6.011 50 10 JKGE Clc1ccc([C@@H](Br)c2ccc(I)cc2)c2ccccc12 127354081 DDDCCENCRVRALB-KRWDZBQOSA-N 457.536 6.582 50 10 JKGE CC(C)(C)c1ccccc1[C@@H](Br)c1cc(Br)sc1Br 132894974 HDPOKGHCQFLHCM-CYBMUJFWSA-N 467.064 7.055 50 10 JKGE CCc1ccc(C(=O)NN(C(=O)c2cc(C)cc(CO[Si](C)(C)C(C)(C)C)c2)C(C)(C)C)cc1 211531037 AKGZWUDGVPMULV-UHFFFAOYSA-N 482.741 6.665 50 10 JKGE CCCN1C(=O)C(C#N)=C(C)/C(=C/c2cn(-c3ccccc3)nc2-c2ccc(OC(C)C)c(C)c2)C1=O 214217849 QCQHOZVOEYEGTF-XYGWBWBKSA-N 494.595 5.637 50 10 JKGE CC[C@@H](NC(=O)/C(C#N)=C\Nc1ccc(Oc2ccccc2)cc1)c1ccc2c(c1)CCCC2 217189581 BGQYQQSVUNPVIZ-HVHHJAFASA-N 451.570 6.445 50 10 JKGE Clc1cc2c(c([C@@H](Br)c3cc(Br)c(Br)s3)c1)OCC2 228451309 YTRDTAWHAUUDAY-LLVKDONJSA-N 487.438 6.346 50 10 JKGE COc1ccc(Br)cc1[C@H](Br)c1cccc(Br)c1Cl 228451704 XWAFCBBHJUCYRP-CYBMUJFWSA-N 469.398 6.358 50 10 JKGE CCOc1ccc(Br)cc1[C@@H](Cl)c1cc(Br)cc(Br)c1 233780039 PLOLIGAYGOLHPD-HNNXBMFYSA-N 483.425 6.701 50 10 JKGE Fc1ccc([C@@H](Br)c2cc(Cl)ccc2Cl)c(I)c1 236173521 AASUKHMXPKLPSR-CYBMUJFWSA-N 459.911 6.221 50 10 JKGE COc1cc(C=NNC(=O)Cc2cccc3ccccc23)ccc1OC(=O)/C=C\c1ccccc1 254652632 CKPWYIKKNFDMMO-HSIUDULRSA-N 464.521 5.160 50 10 JKGE CCc1ccc(NC(=O)C(=O)NN=Cc2c(OC(=O)c3ccc(C)cc3)ccc3ccccc23)cc1 254844074 TYBUFHFTSKPOMR-UHFFFAOYSA-N 479.536 5.019 50 10 JKGE CC[C@@H]1CCC[C@@H](O[C@]2(CI)CCCN(C(=O)OC(C)(C)C)C2)C1 303742217 XNABZRZUPWGIAB-MDZRGWNJSA-N 451.389 5.177 50 10 JKGE Cl[C@@H](c1cccc(I)c1)c1cc(I)cc2c1OCC2 311395802 SFLFHSNGEXHBSH-AWEZNQCLSA-N 496.513 5.159 50 10 JKGE O=C(CCCN(Cc1ccccc1)Cc1ccccc1)Nc1ccc(-c2nc(CCl)cs2)cc1 312107106 ICYDDCJMHIGUPP-UHFFFAOYSA-N 490.072 6.970 50 10 JKGE Fc1ccc(Br)cc1[C@H]1CN(Cc2ccccc2)C[C@H]1CI 382695315 UJRXKMQRYSZGOA-PBHICJAKSA-N 474.155 5.239 50 10 JKGE Fc1cc([C@H](Br)c2sccc2I)c(F)c(F)c1F 395652547 QAMFXKVRHABHHM-ZETCQYMHSA-N 451.020 5.393 50 10 JKGE C[C@H](Cl)c1nc2cc(F)c(Br)cc2n1[C@H]1C[C@H](C)N(Cc2ccccc2)C1 398219588 SACFVUAYPYBTIH-DZKIICNBSA-N 450.783 6.073 50 10 JKGE COc1cc(Br)c([C@@H](Br)c2nscc2Br)cc1OC 404799391 UTMZHPAKEMXHMI-LLVKDONJSA-N 471.996 5.170 50 10 JKGE Brc1cc2c(c([C@@H](Br)c3ccsc3Br)c1)OCC2 705009739 CPIQNWICKBWUOL-NSHDSACASA-N 452.993 5.692 50 10 JKGE Cc1sc([C@@H](Cl)c2cc(Cl)ccc2I)c(C)c1Br 724985665 TZVKJRNTNFPTKG-LBPRGKRZSA-N 476.004 6.714 50 10 JKGE COc1cc(/C=C(\C#N)C(=O)Nc2cccc(C)c2)cc(Br)c1OCc1ccc(C)cc1 1083890384 BNIZNKZVMRHLIR-CIAFOILYSA-N 491.385 6.199 50 10 JKGE CCOc1ccc(C(=O)NN=Cc2cc(Br)c(OCc3ccccc3)c(OC)c2)cc1 1083989246 USUJTWZORPHNLL-UHFFFAOYSA-N 483.362 5.199 50 10 JKGE COc1cc(/C=C(/C#N)C(=O)Nc2ccc(Cl)cc2)ccc1OC(=O)c1ccc(Cl)cc1 1084197661 PFJNXYHYFUVGRW-ATVHPVEESA-N 467.308 5.767 50 10 JKGE CCOc1cc(C=NNC(=O)CSc2nc3ccccc3o2)ccc1OCc1ccc(Cl)cc1 1084360368 OMAPMPPPPWABFF-UHFFFAOYSA-N 495.988 5.701 50 10 JKGE C=CCc1cc(C=NNC(=O)c2cc3ccccc3o2)ccc1OCc1ccc(C(=O)O)cc1 1084368400 YSVUGDYGVXSUAM-UHFFFAOYSA-N 454.482 5.202 50 10 JKGE COc1cc(OC)cc(C(=O)Oc2ccc(/C=C(\C#N)c3ccc(OC)c(OC)c3)cc2OC)c1 1615066153 XJBBOAOLKQYANF-KEBDBYFISA-N 475.497 5.013 50 10 JKGE Cc1c(C(=O)Nc2ccc(Oc3ccccc3)cc2)oc2c1C(=NNC(=O)c1cccnc1)CCC2 1772746088 QEWPOHSDKVVVDT-UHFFFAOYSA-N 480.524 5.498 50 10 JKGE COc1ccc(-c2nn(Cc3cccc(Cl)c3)c3c2[C@@H](c2ccccc2F)C(C#N)=C(N)O3)cc1 1865683323 ITUQUAPXGSQOQA-QHCPKHFHSA-N 486.934 5.618 50 10 JKGE N#CC1=C(N)Oc2c(c(-c3ccccc3)nn2-c2ccc(Cl)c(Cl)c2)[C@H]1c1ccccn1 1865700139 LRSRRLCMOQKEBM-HXUWFJFHSA-N 460.324 5.459 50 10 JKGE CCCc1nn(Cc2ccc(F)cc2)c2c1[C@H](c1ccc(N(CC)CC)cc1)C(C#N)=C(N)O2 1865702277 RFPVWHPICNHUHM-XMMPIXPASA-N 459.569 5.087 50 10 JKGE CCN(CC)c1ccc([C@@H]2C(C#N)=C(N)Oc3c2c(-c2ccccc2)nn3Cc2ccccc2)cc1 1865702606 XRGJDNRPGBRUCG-AREMUKBSSA-N 475.596 5.663 50 10 JKGE Cc1ccc(C)c(Cn2nc(C)c3c2OC(N)=C(C#N)[C@H]3c2ccc(OC(=O)c3ccccc3)cc2)c1 1865705232 PBTZOQSNWSSEGA-HHHXNRCGSA-N 490.563 5.294 50 10 JKGE N#CC1=C(N)Oc2c(c(-c3ccccc3)nn2Cc2ccccc2Cl)[C@H]1c1cccc(F)c1 1865710975 MVLGMKUVISBMJF-QFIPXVFZSA-N 456.908 5.609 50 10 JKGE COc1ccc(-c2nn(-c3ccccc3Cl)c3c2[C@H](c2cccc(F)c2)C(C#N)=C(N)O3)cc1 1865711482 ZOOXOABQBZDSQH-JOCHJYFZSA-N 472.907 5.559 50 10 JKGE CC(C)c1nc(Nc2ccc(SC#N)cc2)cc(N2CCC[C@@H]2c2ccc(C(F)(F)F)cc2)n1 1868231513 IZXHTSAUYPVTMN-OAQYLSRUSA-N 483.563 7.277 50 10 JKGE CCCc1nc(Nc2ccc(SC#N)cc2)cc(N2CCC[C@H]2Cc2ccc(Cl)cc2)n1 1868388257 HDZKVVORDJXGDA-NRFANRHFSA-N 464.038 6.611 50 10 JKGE N#CSc1ccc(Nc2cc(N3CCN(C(=O)C4CC4)CC3)nc(-c3ccc(Cl)cc3)n2)cc1 1868433190 HCEMTNUBALEQTM-UHFFFAOYSA-N 491.020 5.172 50 10 JKGE N#C/C(=C(/O)c1cccc(Br)c1)c1nc(-c2cccc(Br)c2)cs1 1872746146 URUYRQPQTYGBQS-ICFOKQHNSA-N 462.166 6.285 50 10 JKGE C[C@H](c1ccccc1)N1C[C@@H](/C(O)=C(\C#N)c2nc(-c3ccc(C(C)(C)C)cc3)cs2)CC1=O 1872751139 SUEIXLZCFBRCKC-ZGXAXRNMSA-N 471.626 6.510 50 10 JKGE C[C@H](c1ccccc1)N1C[C@H](/C(O)=C(\C#N)c2nc(-c3ccc(Cl)s3)cs2)CC1=O 1872758418 YZUWEPRSCJZNLF-JPCOMGPJSA-N 455.992 5.927 50 10 JKGE Cc1ccc(COc2ccccc2/C=N/NC(=O)[C@H](Cc2ccccc2)NC(=O)OC(C)(C)C)cc1 1873795288 WBXSRFLKAFPAMY-NEDSSLFVSA-N 487.600 5.160 50 10 JKGE Cl[C@@H](c1csc(Br)c1)c1ccc(OCc2ccccc2)cc1Br 1899862508 UITYQNGOHKVYMG-SFHVURJKSA-N 472.629 7.180 50 10 JKGE Cc1c(Br)sc([C@H](Br)[C@@H](C)CC(F)(F)F)c1Br 1922894475 LMUXDBJKLZYZHR-UJURSFKZSA-N 458.963 6.606 50 10 JKGE Cc1c(Br)sc([C@@H](Br)C2(C)CC(F)(F)C2)c1Br 1922911932 IKFQQMSLGUJKEA-MRVPVSSYSA-N 452.984 6.453 50 10 JKGE Clc1c(Br)sc(Br)c1[C@H](Br)[C@@H]1C[C@@H]2CCCC[C@H]21 1923068112 NDCFTOOKZUSZTB-OKJYPTKPSA-N 477.487 7.189 50 10 JKGE Cc1ccc(C[C@@H](Br)c2c(Br)sc(Br)c2Cl)cc1C 1923068668 VETGBMZHTPTTFS-SNVBAGLBSA-N 487.482 7.222 50 10 JKGE CC(C)(c1ccccc1)[C@H](Cl)c1c(Br)sc(Br)c1Br 1924596510 PPSYOFRCGBYWEF-LLVKDONJSA-N 487.482 7.293 50 10 JKGE Brc1cccnc1C[C@H](Br)c1cccc(I)c1 1924905615 BQFKKXCVZOJAET-LBPRGKRZSA-N 466.942 5.127 50 10 JKGE Fc1cc(F)c([C@H](Br)c2c(Cl)sc(Br)c2Cl)c(F)c1 1925590391 OQJSAIHFRKXLGN-QMMMGPOBSA-N 454.920 6.719 50 10 JKGE Brc1sc(Br)c([C@H](Br)[C@H]2[C@H]3CCC[C@H]32)c1Br 1979710971 RSIYVKREWSBRNA-BYPJNBLXSA-N 493.884 6.518 50 10 JKGE Fc1cc(Br)cc(N2CC[C@@H](COCc3ccccc3)C2)c1CBr 2004045016 AUIOZBQOZSQFGT-OAHLLOKOSA-N 457.181 5.526 50 10 JKGE Cc1c(Br)ccc([C@@H](Br)c2cscc2Cl)c1Br 2024280572 AFFHTPBHSNDTJK-GFCCVEGCSA-N 459.428 6.719 50 10 JKGE Cl[C@@H](c1cc(C2CC2)c(Br)s1)c1cc(Br)sc1Br 2033629945 AANGFFRXOZBMJS-SNVBAGLBSA-N 491.495 7.303 50 10 JKGE Cc1scnc1COc1c(Br)cc(CBr)cc1Br 2035320558 RDYWRAVXDVEOHH-UHFFFAOYSA-N 455.997 5.450 50 10 JKGE C[C@@H](CBr)N(Cc1ccccc1)C(=O)c1cc(Br)cc(C(F)(F)F)c1 2052303356 MEFQCNQNOHVAJZ-LBPRGKRZSA-N 479.134 5.894 50 10 JKGE COc1ccc([C@@H](CNC(=O)C(C#N)=Cc2ccccc2)c2c[nH]c3ccccc23)cc1OC 2085328952 BUPKRBWXMMGQDA-HSZRJFAPSA-N 451.526 5.040 50 10 JKGE COc1c(C)cc(Br)cc1[C@@H](Br)c1cscc1OCc1ccccc1 2085637641 VEEGJVUNYVXRKE-LJQANCHMSA-N 482.237 6.891 50 10 JKGE O=C(c1csc(Br)c1Br)N1CC2(CCC2)C[C@H]1CBr 2095171150 QYLJKNUQTOSAFS-QMMMGPOBSA-N 472.040 5.053 50 10 JKGE CC1(C)CCC[C@@H]([C@H](Br)c2cc(Br)ccc2Br)CC1 2100847478 FNMRBXAWLHZVTI-ABAIWWIYSA-N 453.056 7.254 50 10 JKGE FC1(F)[C@H]2C[C@@](CBr)(Cc3c(Br)cccc3Br)C[C@H]21 2107647015 IQEIPSOHFMFGSD-DDFAGTSDSA-N 458.966 5.811 50 10 JKGE CC(C)(C)[C@@H](C[C@@H](Br)c1cc(Br)ccc1Br)C(F)F 2111377274 OGOYONIMDRXKPY-CMPLNLGQSA-N 462.998 6.965 50 10 JKGE ClCc1ccc(Br)c(Cl)c1N1CC[C@H]2CN(Cc3ccccc3)C[C@@H]2C1 2112432394 XRKKPGDVTOBUEF-ZWKOTPCHSA-N 454.239 5.800 50 10 JKGE CC1(C)OCCC[C@@]1(CBr)Cc1cc(Cl)ccc1I 2130452079 LQUKMQDJRUJUMY-HNNXBMFYSA-N 457.577 5.457 50 10 JKGE Cc1cc(Br)c(C)c([C@@H](Cl)c2cn(C)nc2Br)c1Br 2136374865 PRIHWEJESQGUGE-LBPRGKRZSA-N 471.418 5.653 50 10 JKGE Cc1cc(Cl)c(Br)cc1[C@H](Br)Cc1cccc(Br)c1 2137640810 AGRIQNCCARCISH-CYBMUJFWSA-N 467.426 6.852 50 10 JKGE BrCc1cc(Br)cc(Br)c1OC[C@H]1CCCOCC1 2141843376 PPAAYNHPSGWBBI-JTQLQIEISA-N 457.000 5.302 50 10 JKGE Cc1cc(F)cc(C)c1[C@H](Br)c1ccc(Br)cc1I 2142288358 RRXFPIZORZPZLT-OAHLLOKOSA-N 497.971 6.294 50 10 JKGE ClCc1cc(Cl)cc(Cl)c1OCc1c(Br)cccc1Br 2150488312 MPHGMGJDBGRHGH-UHFFFAOYSA-N 459.392 6.836 50 10 JKGE Fc1cc(Cl)c(Br)cc1[C@@H](Br)c1cscc1C(F)(F)F 2154109254 QBNHMBUCEOXIRT-LLVKDONJSA-N 452.492 6.806 50 10 JKGE ClCc1nc2cc(Br)c(Cl)cc2n1C[C@H]1CN(Cc2ccccc2)CCO1 2159869510 AMEZUUKTNPZOAK-OAHLLOKOSA-N 469.210 5.092 50 10 JKGE COc1cc(CBr)ccc1OCc1cc(Br)ccc1Br 2175142219 NYVIHLHWZSPGKM-UHFFFAOYSA-N 464.979 5.694 50 10 JKGE Cc1cc(Br)c(C)c([C@@H](Cl)c2cccc(Br)c2C)c1Br 2201074689 AVOZGTMOBCASPO-INIZCTEOSA-N 481.453 7.228 50 10 JKGE Fc1cc(Br)c([C@@H](Br)Cc2cccc(Br)c2)c(F)c1Cl 2201618874 LQCNVRGRICWPNT-VIFPVBQESA-N 489.379 6.822 50 10 JKGE COc1ccc(CC[C@@H](Br)c2ccc(Br)cc2Br)cc1 2203688907 WKVOAYUNCDCNMM-OAHLLOKOSA-N 463.007 6.289 50 10 JKGE COc1cc(F)c(Br)cc1[C@@H](Cl)c1ccc(I)c(C)c1 2207102031 INLALXHFCJIKAK-HNNXBMFYSA-N 469.519 5.838 50 10 JKGE CC[C@H](Br)CCc1sc(Br)c(Br)c1Br 2209973593 OIRVOLAZFRXHCQ-YFKPBYRVSA-N 469.862 6.142 50 10 JKGE Brc1sc([C@H]2CCC[C@@H]2Br)c(Br)c1Br 2209975935 JJJFFIIVPKCGIB-WHFBIAKZSA-N 467.846 6.067 50 10 JKGE COc1ccc([C@H](Br)c2sc(Br)cc2C)c(Br)c1 2223964634 WTBVPYIVGVJUOQ-LBPRGKRZSA-N 455.009 6.074 50 10 JKGE CC(F)(F)C(C)(C)[C@@H](Br)c1c(Br)cc(Cl)c(Cl)c1Cl 2224310127 FVQQUWHIJOUKBZ-JTQLQIEISA-N 459.383 7.527 50 10 JKGE Cc1cc(Br)c([C@@H](Br)c2ccccc2Br)c(C)c1Cl 2224318203 VAAJARTZIWYUJY-AWEZNQCLSA-N 467.426 6.966 50 10 JKGE Cc1c(Br)csc1[C@@H](Cl)c1c(Br)cc(Cl)c(Cl)c1Cl 2226127625 XTOFPGWZEAIPTL-NSHDSACASA-N 483.867 7.870 50 10 JKGE Cc1cc([C@H](Cl)Cc2ccc(Br)cc2Cl)ccc1I 2229141144 QIWYGIALYDNTBE-CYBMUJFWSA-N 469.975 6.538 50 10 JKGE Clc1cc(Br)c([C@H](Br)[C@@]23CCC[C@H]2OCC3)c(Cl)c1Cl 2232518936 HXCAOJLLIOOWBR-BIGNPOOSSA-N 463.424 6.805 50 10 JKGE COc1c(C(C)C)cc(Br)cc1[C@H](Br)c1cc(Br)sn1 2233165604 LKCHEEQAMFZQEV-ZDUSSCGKSA-N 484.051 6.284 50 10 JKGE COc1cc(Br)c([C@@H](Br)c2c(Br)sc(C)c2C)cc1C 2236024782 ORRBVWGGPOLERS-CQSZACIVSA-N 483.063 6.691 50 10 JKGE Cl[C@@H](c1ccc(I)c(Br)c1)c1ccc([C@@H]2CCOC2)s1 2240439094 OJZIOTPHKVQSDD-BMIGLBTASA-N 483.596 5.947 50 10 JKGE Clc1c(Br)csc1[C@H](Br)Cc1cccc(Br)c1 2246495758 MPKOREYRZUDHAO-SECBINFHSA-N 459.428 6.605 50 10 JKGE C[C@@H](C[C@H](Br)c1c(F)cc(Br)c(F)c1Br)C(F)(F)F 2272738936 JCLBFNPARXDEIA-WHFBIAKZSA-N 474.887 6.514 50 10 JKGE Cc1sc([C@@H](Cl)Cc2cc(Br)cc(Br)c2)c(Br)c1C 2277893068 YGWDKOIHYJLDSS-LBPRGKRZSA-N 487.482 7.175 50 10 JKGE C[C@H](Br)CN(CCC(C)(C)C)C(=O)c1cc(Br)c(Br)s1 2288058564 FGNVQOATOKQNAA-VIFPVBQESA-N 490.099 5.935 50 10 JKGE CCc1ccc(NC(=O)C(C#N)=Cc2cc(Cl)c(OCc3cccc4ccccc34)c(OC)c2)cc1 2294168287 BVUVDPFDWAPJIO-UHFFFAOYSA-N 496.994 7.189 50 10 JKGE COc1cc(C=C(C#N)c2nc(-c3ccc(CC(C)C)cc3)cs2)cc(Br)c1O 2296790014 JLWRLKFXSSMZJQ-UHFFFAOYSA-N 469.404 6.549 50 10 JKGE CCCOC(=O)c1ccc(NC=C(C#N)c2nc(-c3cccc(Br)c3)cs2)cc1 2296798353 GPWSJWCSJFUBGQ-UHFFFAOYSA-N 468.376 6.116 50 10 JKGE CCN(C[C@](C)(CI)OC[C@@](C)(CC)C(F)F)C(=O)OC(C)(C)C 2299749166 FXPYFOMFNNSDFS-SJORKVTESA-N 463.347 5.135 50 10 JKGE Clc1ccc(Br)c([C@H](Cl)c2sc(Cl)cc2I)c1 2301085604 GKWCKWIXKMWAOV-JTQLQIEISA-N 482.395 6.750 50 10 JKGE Brc1cc(C[C@@H]2CCCC[C@H](Br)C2)ccc1I 2306200027 SLTQLUPJFAEJIT-JQWIXIFHSA-N 472.002 5.940 50 10 JKGE COc1cc(C=C(C#N)C(=O)Nc2cc(Cl)ccc2C)ccc1OCc1ccc(Cl)cc1 2313670658 NOICITZQJXPPQS-UHFFFAOYSA-N 467.352 6.435 50 10 JKGE CCOc1cc(C=C(C#N)C(=O)Nc2cccc(C(F)(F)F)c2)cc(Br)c1OC 2313676563 DEXLORQMIMCCTG-UHFFFAOYSA-N 469.257 5.421 50 10 JKGE Brc1cc(OCc2ccccc2)ccc1[C@H](Br)CC1CCCCCC1 2314448790 KOLNARWKZNJVLZ-OAQYLSRUSA-N 466.257 7.825 50 10 JKGE CC(C)(C[C@H](Br)c1cc(Br)ccc1OCc1ccccc1)C(F)(F)F 2314451932 ITPGBZTVHRSOGI-INIZCTEOSA-N 480.162 7.443 50 10 JKGE C[C@H](C[C@H](Br)c1ccc(OCc2ccccc2)cc1Br)CC(C)(C)C 2314499268 AQMOMNQXCOCCKX-UZLBHIALSA-N 468.273 7.927 50 10 JKGE CCCOc1ccc(C=C(C#N)C(=O)Nc2scc(-c3ccc(Cl)cc3)c2C(=O)OCC)cc1 2314716654 CBVOIPDPVYRLLC-UHFFFAOYSA-N 495.000 6.580 50 10 JKGE COc1ccc2oc(=O)c(C(=O)Oc3ccc(C=C(C#N)c4ccc(Cl)cc4)cc3OC)cc2c1 2314773849 FSMBJPYVRZWRIG-UHFFFAOYSA-N 487.895 5.747 50 10 JKGE COc1ccc(Br)cc1[C@H](Cl)c1sc(Cl)cc1I 2316601965 AKHZZYPBHFJZMD-NSHDSACASA-N 477.976 6.105 50 10 JKGE Cc1cc(Br)c(F)c(Br)c1[C@@H](Cl)c1cscc1Br 2317397854 AAPRNLCCBFWTLC-NSHDSACASA-N 477.418 6.811 50 10 JKGE COc1cc([C@H](Br)c2sc(Br)c(C)c2Br)sc1Cl 2317955330 MUVBEYUOPCTFKO-QMMMGPOBSA-N 495.483 6.789 50 10 JKGE O=C(N[C@H](CCBr)COCc1ccccc1)c1cc(Br)c(F)cc1Cl 2320362819 YCCGGUBZAFCCDR-CYBMUJFWSA-N 493.598 5.342 50 10 JKGE C[C@H](c1ccccc1)N1C[C@H](C(O)=C(C#N)c2nc(-c3ccc4ccccc4c3)cs2)CC1=O 2331237969 XQXCVIUODPNULK-WZONZLPQSA-N 465.578 6.366 50 10 JKGE CC[C@@H](C)[C@H](C(O)=C(C#N)c1nc(-c2cc(C)ccc2C)cs1)N1C(=O)c2ccccc2C1=O 2331320025 CDVPCISNMMLCEQ-WAIKUNEKSA-N 471.582 5.931 50 10 JKGE CC(C)(C)c1ccc(-c2csc(C(C#N)=C(O)C(=Cc3ccccc3)c3ccccc3)n2)cc1 2331331914 IEOPWSSZRQMSOE-UHFFFAOYSA-N 462.618 8.141 50 10 JKGE COc1ccc(C(C)(C)C)cc1-c1csc(C(C#N)=C(O)C=Cc2cccc([N+](=O)[O-])c2)n1 2331350720 ODFIUANPZGCUSJ-UHFFFAOYSA-N 461.543 6.530 50 10 JKGE COc1ccc(C=CC(O)=C(C#N)c2nc(-c3cc(C(C)C)c(OC)cc3C)cs2)cc1OC 2331354021 ZANBTPRPGKRMHP-UHFFFAOYSA-N 476.598 6.774 50 10 JKGE COc1ccc(-c2csc(C(C#N)=Cc3cc(Br)cc(OC)c3O)n2)cc1C 2331429568 HWNAIWDNZJKXOO-UHFFFAOYSA-N 457.349 5.668 50 10 JKGE N#CC(=Cc1ccccc1OCc1ccc(Cl)cc1)c1nc(-c2cc(Cl)ccc2Cl)cs1 2331488850 CNWIRNFTIYWXOE-UHFFFAOYSA-N 497.834 8.413 50 10 JKGE Fc1c(Cl)cccc1C[C@@H](Cl)c1ccc(OCc2ccccc2)cc1Br 2336040541 GPFHXLNALLVGTN-HXUWFJFHSA-N 454.166 7.343 50 10 JKGE CC(C)CC1([C@@H](Br)c2c(Cl)cc(Br)c(F)c2Br)CC1 2337097132 KNDTXVYKBCRGQI-ZDUSSCGKSA-N 477.437 7.266 50 10 JKGE Cc1cc(Br)c(F)c(Br)c1[C@@H](Br)[C@H]1C[C@@H]2CC[C@H]1C2 2339658243 GFLLXHUZQKBZNP-QYTUQVAYSA-N 455.003 6.531 50 10 JKGE COc1c(Br)cc(C)c([C@@H](Br)[C@]2(C)CC2(C)C)c1Br 2339689095 BZPLFGFSNUPWGD-HIFRSBDPSA-N 455.028 6.401 50 10 JKGE Clc1cccc([C@H](CI)OCc2cccc(I)c2)c1 2341610875 DHQSOIVIEOFUJU-HNNXBMFYSA-N 498.529 5.638 50 10 JKGE CS(=O)(=O)c1ccc([C@@H](Cl)c2ccc(OCc3ccccc3)cc2Br)cc1 2361196319 WPXIJXBJDHAJDH-OAQYLSRUSA-N 465.796 5.760 50 10 JKGE COc1ccccc1[C@@H](Br)c1c(Cl)cc(Br)c(F)c1Br 2362257524 INZDUWMQOADEJR-GFCCVEGCSA-N 487.388 6.497 50 10 JKGE COc1c(C)cc([C@H](Cl)c2cc(Br)ccc2OCc2ccccc2)cc1Cl 2362873928 WTHNZZKPNNIPFI-NRFANRHFSA-N 466.202 7.327 50 10 JKGE COc1c(Br)cc(C)c([C@H](Br)[C@@H]2C[C@@H]3CCC[C@@H]32)c1Br 2365236367 OUKZRBOHKNRGSD-KZWBYHQPSA-N 467.039 6.401 50 10 JKGE Fc1cc(Cl)c(Br)c(Cl)c1[C@@H](Br)[C@H]1C[C@@H](C(F)(F)F)C1 2380889782 NWJDOZYWNYALEW-ZDEZVYLVSA-N 458.902 6.920 50 10 JKGE Cc1cc(Cl)c([C@H](Cl)c2cc(Br)c(C)cc2Br)c(Cl)c1 2381313820 JDLXJSDYPJETTC-OAHLLOKOSA-N 457.420 7.463 50 10 JKGE N#C/C(=C/c1ccc(-c2ccc([N+](=O)[O-])cc2)o1)C(=O)Nc1cc(C(F)(F)F)ccc1Cl 2727085 ZORZYOGBZLKHQZ-LCYFTJDESA-N 461.783 6.073 50 10 JKGE COc1cccc(N/C(SCc2cccc([N+](=O)[O-])c2)=C(/C#N)C(=O)NCc2cccs2)c1 3058981 ZGGCFHHZXXPVOX-XTQSDGFTSA-N 480.571 5.062 50 10 JKGE aggregator N#C/C(=C/c1ccc(OCC(=O)c2ccc(F)cc2)cc1)c1nc(-c2cccc([N+](=O)[O-])c2)cs1 33470778 HPHRLQXYLRJETR-NDENLUEZSA-N 485.496 6.183 50 10 JKGE COc1cc(/C=C(/C#N)C(=O)Nc2cccc3ncccc23)ccc1OCc1ccc(F)cc1 33536068 JUNMLVXDCQQNCO-ZHZULCJRSA-N 453.473 5.507 50 10 JKGE N#C/C(=C\c1ccc(-c2ccc(Cl)c(Cl)c2)o1)C(=O)Nc1cc(Cl)cc(Cl)c1 35518911 IEQUROXHMZBOSL-LFYBBSHMSA-N 452.124 7.106 50 10 JKGE Cc1cccc(C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@@H]3c2ccccc2Br)c1 38678447 DBHPKDGMGYPYGG-JOCHJYFZSA-N 461.315 5.195 50 10 JKGE CCCCOc1cccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)COc4ccc(CC)cc4)ccc32)c1 38685226 PTQZXRDMGSJKQU-LJAQVGFWSA-N 498.579 5.630 50 10 JKGE CCCCOc1cccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)Cc4ccc(Cl)cc4)ccc32)c1 38685250 JPJJITWZAUZSLY-MHZLTWQESA-N 488.971 5.885 50 10 JKGE Cc1ccc2c(C)c(C(=O)Oc3ccc4c(c3)OC(N)=C(C#N)[C@@H]4c3cccc([N+](=O)[O-])c3)oc2c1C 38688179 YYVUOQHZJQTLEF-XMMPIXPASA-N 495.491 5.704 50 10 JKGE N#C/C(=C\c1ccc(-c2ccc(Cl)cc2Cl)o1)C(=O)Nc1sc2c(c1C(N)=O)CCCC2 39884978 CEGHOCIFYSSFNT-FMIVXFBMSA-N 486.380 5.838 50 10 JKGE Cc1cc(Cl)ccc1NC(=O)c1oc2c(c1C)/C(=N/NC(=O)c1ccc(Cl)cc1)CCC2 40811636 UZAHOOUHMDWNSB-TURZUDJPSA-N 470.356 5.926 50 10 JKGE Cc1ccc(NC(=O)c2oc3c(c2C)/C(=N/NC(=O)c2cccs2)CCC3)c(Br)c1 40823755 IRLPQJCURFTYPJ-PCLIKHOPSA-N 486.391 5.443 50 10 JKGE CC(C)(C)c1ccc(C(=O)N/N=C/c2ccc(OC(=O)c3ccc(Cl)cc3Cl)cc2)cc1 48573707 WDDJIHUAGHOZTL-RWPZCVJISA-N 469.368 6.274 50 10 JKGE C=CCc1cc(/C=N\NC(=O)CC[C@@H](O)c2ccccc2)cc(OC)c1OCc1ccc(C)cc1 58892073 XWIRWYSQRZUEAI-KAECXJSPSA-N 472.585 5.275 50 10 JKGE N#C/C(=C/c1cc(Cl)ccc1OCc1ccccc1Cl)C(=O)Nc1cccc(Cl)c1 59117039 HZOAJASLBOLFRH-YVLHZVERSA-N 457.744 6.771 50 10 JKGE COc1cc(/C=C(\C#N)C(=O)Nc2ccccc2Cl)ccc1OCc1ccc(Cl)cc1 59117267 ITNBMYWIJVYTNC-LDADJPATSA-N 453.325 6.127 50 10 JKGE CC(=O)N/N=C/c1cc(-c2ccccc2)n(-c2ccc(Br)cc2)c1-c1ccccc1 59426211 KDYQXWUREDRPEB-WPWMEQJKSA-N 458.359 6.044 50 10 JKGE C/C(=N\NC(=O)CCCOc1ccc(Cl)cc1Cl)C(c1ccccc1)c1ccccc1 66202573 LUWYGVHKUVZPBA-MTDXEUNCSA-N 455.385 6.477 50 10 JKGE Fc1ccc(C[C@@H](CBr)Cc2ccccc2Br)cc1Br 97185856 CHLJTAWCZVFOFP-GFCCVEGCSA-N 464.998 6.147 50 10 JKGE C=CCOc1ccc(-c2nn(-c3ccccc3)cc2/C=C2/C(=O)N([C@@H](C)CC)C(=O)C(C#N)=C2C)cc1 101303340 SZTAPJHYYATLKQ-UBYGEMSKSA-N 492.579 5.495 50 10 JKGE CC1=C(C#N)C(=O)N([C@H](C)c2ccccc2)C(=O)/C1=C/c1ccc(-c2ccc(Cl)cc2Cl)o1 101337809 BJLLYEMZYDPKCL-WMRWHDLOSA-N 477.347 6.607 50 10 JKGE N#C/C(=C/c1ccc(Cl)cc1Cl)C(=O)Nc1ncc(Cc2ccc(Cl)c(Cl)c2)s1 102958430 XVMFIYFUQBAEDY-QPEQYQDCSA-N 483.207 6.893 50 10 JKGE Clc1cccc(C[C@@H](Br)c2cc(Br)ccc2Br)c1 109844828 YTDHXTKAAAZODT-CQSZACIVSA-N 453.399 6.544 50 10 JKGE CC(C)(C)OOC(C)(C)c1cc(C(C)(C)OOC(C)(C)C)cc(C(C)(C)OOC(C)(C)C)c1 111397360 WKKRYWQLVOISAU-UHFFFAOYSA-N 468.675 7.632 50 10 JKGE Cc1cc(F)ccc1CC(CBr)(CBr)c1ccc(Br)cc1 128735263 LOCGIHLFMSCDNV-UHFFFAOYSA-N 479.025 6.167 50 10 JKGE CCc1cc(CC)c([C@H](Br)c2ccccc2I)c(CC)c1 148096748 RHCJTHCMYUHAOH-LJQANCHMSA-N 457.193 6.463 50 10 JKGE Clc1cccc([C@H](CI)OCc2cccc(Br)c2)c1 162538439 RNTRTSQZINAFNG-HNNXBMFYSA-N 451.529 5.795 50 10 JKGE Cl[C@@H](c1cccc(I)c1)c1csc2c(Br)cccc12 163368045 RWIRYRPPURPCDL-AWEZNQCLSA-N 463.565 6.597 50 10 JKGE CC(=O)Nc1cccc(Oc2ccc(CNC(=O)c3cnccc3O[C@@H](Cl)C3CC3)cc2F)c1 211951339 NKEYRLZZSVANAU-XMMPIXPASA-N 483.927 5.255 50 10 JKGE CCCCc1ccc(NC(=O)/C(C#N)=C\Nc2cc(C(F)(F)F)cc(C(F)(F)F)c2)cc1 217170347 GWLZCYKEGKORAE-SQFISAMPSA-N 455.402 6.525 50 10 JKGE CSc1ccc(/C=C2/CN(C(C)C)CC3=C2OC(N)=C(C#N)[C@@H]3c2ccc(SC)cc2)cc1 229785814 ZGKQIICFGDVMQM-JUKZXFSCSA-N 475.683 6.000 50 10 JKGE Cc1cc(Br)c([C@H](Br)[C@@H]2[C@H](C)O[C@H](C)[C@@H]2C)cc1Br 251079432 RZSKNRZQWWPXPM-WIWFPBMBSA-N 455.028 6.016 50 10 JKGE CCCCOc1ccc(C(=O)Oc2ccc(C=NNC(=O)COc3cccc4ccccc34)cc2)cc1 254345343 XAXWTPFIWBTNRE-UHFFFAOYSA-N 496.563 5.767 50 10 JKGE CCOc1ccc(-n2c(C)cc(C=NNC(=O)CSc3cc(C)nc4ccccc34)c2C)cc1 254623499 IMENOCKGSHGUFY-UHFFFAOYSA-N 472.614 5.592 50 10 JKGE CCCCCCCCCCCCCCCC(=O)NN=Cc1ccc(OC(=O)c2ccc(C)cc2)cc1 254757402 NXVVOGDEXOJTPW-UHFFFAOYSA-N 492.704 8.146 50 10 JKGE Cc1cc([C@@H](Cl)c2ccc(Br)cc2Br)sc1Br 300464295 ZDWDLNXOOKSRCX-NSHDSACASA-N 459.428 6.672 50 10 JKGE BrCc1ccc2c(I)csc2c1I 307292895 CYMMBLUJPSDBEH-UHFFFAOYSA-N 478.918 5.005 50 10 JKGE Cc1cc(C)c([C@@H](Br)c2ccc(OCc3ccccc3)cc2)c(C)c1Br 382502401 LLIVSXYHILMLLQ-QHCPKHFHSA-N 474.236 7.438 50 10 JKGE COc1c(Br)cc(Cl)cc1[C@@H](Br)c1cc(Br)oc1C 396587829 KYMZZNRMCSKKER-LBPRGKRZSA-N 473.386 6.259 50 10 JKGE Fc1cc(Br)c([C@@H](Br)c2csc(Br)c2)c(F)c1F 398480163 UDDSQLUJHOSMQA-VIFPVBQESA-N 464.926 6.175 50 10 JKGE CC(=O)c1ccc2c(c1)CCN2C(=O)Nc1cccc(C(=O)Nc2ccc(SC#N)cc2)c1 586674313 CACYHRMXPNTVQO-UHFFFAOYSA-N 456.527 5.309 50 10 JKGE Cc1nn(C)c(COc2c(Br)cc(Cl)cc2CBr)c1Br 708110986 KVBYQODTOUENCA-UHFFFAOYSA-N 487.417 5.381 50 10 JKGE BrCC(CBr)(Cc1ncc(Br)s1)c1ccccc1 713628393 HIZBWNDLNFAUAF-UHFFFAOYSA-N 454.025 5.176 50 10 JKGE O=C(NN=Cc1c(Oc2ccc(C(F)(F)F)cc2[N+](=O)[O-])ccc2ccccc12)c1ccncc1 1084038881 GHNIKHBWTBFHMP-UHFFFAOYSA-N 480.402 5.718 50 10 JKGE COc1cc(/C=C(\C#N)C(=O)Nc2cccc(Cl)c2Cl)ccc1OCc1cccc([N+](=O)[O-])c1 1084216792 GMXISYKCTSXPMF-LICLKQGHSA-N 498.322 6.035 50 10 JKGE COc1ccc(C=NNC(=O)CSc2c(Cl)c(Cl)c(Cl)c(Cl)c2Cl)c(O)c1 1084495981 XUNWQBIKLUQUCS-UHFFFAOYSA-N 488.607 5.910 50 10 JKGE CCCCCCCCCCOc1ccc(C(=O)NN=Cc2c(C)nn(Cc3ccccc3)c2C)cc1 1084650551 GAQQMGPLJWPBHE-UHFFFAOYSA-N 488.676 6.832 50 10 JKGE FC(F)(F)c1cccc(-n2nc(-c3cc(C(F)(F)F)cc(C(F)(F)F)c3)cc2CCl)c1 1614818055 BBVPHUHOXBVWOW-UHFFFAOYSA-N 472.738 7.335 50 10 JKGE COc1cc(/C=C(\C#N)c2ccccc2OC)ccc1OC(=O)c1cccc(Br)c1 1615099660 FZAMFWXOUWKHAJ-LDADJPATSA-N 464.315 5.750 50 10 JKGE CCc1ccc(NC(=O)c2oc3c(c2C)C(=NNC(=O)c2ccc(Br)cc2)CCC3)cc1 1772743843 LZWHTCLOAAJXFA-UHFFFAOYSA-N 494.389 5.636 50 10 JKGE Cc1ccc(C)c(Cn2nc(-c3ccccc3)c3c2OC(N)=C(C#N)[C@@H]3c2ccccc2F)c1 1865681826 YBMJIHZKQZMZSC-DEOSSOPVSA-N 450.517 5.573 50 10 JKGE Cc1nn(-c2ccc(Cl)c(Cl)c2)c2c1[C@@H](c1c(Cl)cccc1Cl)C(C#N)=C(N)O2 1865685761 MTJSQHXBCNHJHF-KRWDZBQOSA-N 466.155 6.013 50 10 JKGE CCc1nn(Cc2ccccc2F)c2c1[C@@H](c1ccc(OCc3ccc(C)cc3)cc1)C(C#N)=C(N)O2 1865692201 CFNPFXZSOSVVFP-MHZLTWQESA-N 494.570 5.739 50 10 JKGE Cc1ccc(Cn2nc(-c3ccccc3)c3c2OC(N)=C(C#N)[C@@H]3c2cn(C)c3ccccc23)cc1 1865698890 FTFLBWYEQVJCEU-AREMUKBSSA-N 471.564 5.617 50 10 JKGE CCOc1cc(NC(=O)c2ccccc2)c(OCC)cc1NC(=O)/C(C#N)=C/c1cccc(F)c1 1866131043 DRGIUVFIHJFSCS-DEDYPNTBSA-N 473.504 5.421 50 10 JKGE CC(C)(C)c1nc(C(=O)N[C@H](C(=O)Nc2ccc(SC#N)cc2)c2ccccc2)c2ccccn12 1866874981 IWEPOVDVFFPHJJ-QFIPXVFZSA-N 483.597 5.315 50 10 JKGE N#CSc1ccc(Nc2cc(N3CCC[C@H]3C(=O)NC3CCCCC3)nc(-c3ccccc3)n2)cc1 1868364774 GGDNGDJZJWQIOS-DEOSSOPVSA-N 498.656 5.878 50 10 JKGE COc1ccccc1-c1csc(/C(C#N)=C(O)/C=C/c2cc(OC)c(OC)c(OC)c2)n1 1872746936 GHUWXOKNYBWEBK-LSAIVWQOSA-N 450.516 5.351 50 10 JKGE Cc1ccc(-c2csc(/C(C#N)=C(\O)[C@@H](CC(C)C)N3C(=O)c4ccccc4C3=O)n2)c(C)c1 1872748679 IOMGKCXNWFYDOR-KXNAUXDSSA-N 471.582 5.931 50 10 JKGE COc1ccc(Cl)cc1N1C[C@H](/C(O)=C(\C#N)c2nc(-c3c[nH]c4ccccc34)cs2)CC1=O 1872753119 IBMHLKQISCWPFP-SKSQCXPCSA-N 490.972 5.799 50 10 JKGE COc1ccc(/C=C(C(/O)=C(\C#N)c2nc(-c3ccc(F)cc3F)cs2)\c2ccccc2)cc1 1872818267 UONCNHLHGMTCOJ-JOFVZQBISA-N 472.516 7.130 50 10 JKGE Clc1c(Br)sc(Br)c1[C@H](Br)C[C@@]12CCC[C@@H]1C2 1908409773 NWLWQAZFRJDMGR-QHMRUWFYSA-N 463.460 6.943 50 10 JKGE COc1cc([C@@H](Br)c2c(Br)sc(Br)c2Cl)ccc1C 1923067250 ABIBRUQINFSNHE-SNVBAGLBSA-N 489.454 6.728 50 10 JKGE C[C@@H]1C[C@@H]([C@@H](Br)c2c(Br)sc(Br)c2Cl)CO1 1923067488 DDAGILIOOLJZLW-WYDQCIBASA-N 453.421 5.788 50 10 JKGE COC1(C[C@@H](Br)c2c(Br)sc(Br)c2Cl)CC1 1923068833 XBZSQDLFDJUMPG-RXMQYKEDSA-N 453.421 5.932 50 10 JKGE Cl[C@@H](Cc1ncccc1Br)c1csc(Br)c1Br 1924885412 UCFYKZRMEFQISC-QMMMGPOBSA-N 460.416 5.953 50 10 JKGE COc1ccc([C@H](Br)c2c(Cl)sc(Br)c2Cl)cc1OC 1925601949 YIPIZFNZEPOBTG-JTQLQIEISA-N 461.002 6.319 50 10 JKGE Cc1cc(Br)sc1[C@@H](Cl)c1cc(Br)sc1Br 1939447440 URQJEKULBRWBAT-QMMMGPOBSA-N 465.457 6.734 50 10 JKGE COc1cscc1[C@H](Br)c1c(Br)sc(Br)c1Cl 1950315075 LDEDQDUONXABSI-ZETCQYMHSA-N 481.456 6.481 50 10 JKGE Fc1cc(Br)c(Cl)cc1[C@@H](Br)c1cc(Br)cs1 2004903149 VAUWLTSILNUDPO-LLVKDONJSA-N 463.391 6.550 50 10 JKGE O=C(Nc1cc(Br)c(Br)c(Br)c1)[C@H]1C[C@H](Br)C1 2020162795 JAASEDPIARBNRT-IZLXSQMJSA-N 490.815 5.086 50 10 JKGE CC[C@H](Br)c1nnc(-c2ccc(Br)cc2I)s1 2026222221 VYWFRKVTAQUXOR-QMMMGPOBSA-N 487.986 5.418 50 10 JKGE COc1cc(C=C(C#N)c2ccccn2)ccc1OCC(=O)Nc1cccc(C(F)(F)F)c1 2040444687 PDXFJRAPLXQAAO-UHFFFAOYSA-N 453.420 5.191 50 10 JKGE Clc1cc(Br)cc(C[C@H](Br)c2cccc(Br)c2)c1 2081567131 YDHRACGCRACTEJ-AWEZNQCLSA-N 453.399 6.544 50 10 JKGE CCC12COC([C@@H](Br)c3sc(Br)c(C)c3Br)(C1)C2 2084483208 DWMMCFLIQJJWNX-PKSQDBQZSA-N 459.041 5.977 50 10 JKGE C[C@H](Br)CN(Cc1ccccc1)C(=O)c1ccc(OC(F)(F)F)c(Cl)c1 2107092050 DJBUMAKVXHPPHA-LBPRGKRZSA-N 450.682 5.664 50 10 JKGE COc1ccc(C[C@@H](Br)c2cc(Br)c(Br)s2)cc1F 2112117948 UQBFGIKQIAQFOZ-MRVPVSSYSA-N 472.999 6.100 50 10 JKGE Cc1ccc(Br)c(Oc2cc(Br)cc(F)c2CBr)c1 2114265782 IMSIFWWXQWJHRM-UHFFFAOYSA-N 452.943 6.346 50 10 JKGE CN(Cc1cc(Br)ccc1Br)[C@@H]1CCCCC[C@H]1Br 2118520893 YXNSIXIRHWWYCG-HUUCEWRRSA-N 454.044 5.740 50 10 JKGE Cc1cc(Br)c([C@@H](Br)[C@@H]2CCCOC2(C)C)cc1Br 2130462221 ROKTWIAKRSSCRT-SMDDNHRTSA-N 455.028 6.161 50 10 JKGE Fc1cc(Br)c([C@@H](Br)c2scc(Cl)c2Cl)c(F)c1Cl 2136960594 DLSPKBLBXIMURP-SSDOTTSWSA-N 471.375 7.233 50 10 JKGE CC(C)(C)OC(=O)N(CC(F)F)[C@@H]1CCCN(CC2(CBr)CCCCC2)C1 2163058162 ICZRAMSZGWWQOX-MRXNPFEDSA-N 453.412 5.298 50 10 JKGE FC(F)(F)[C@H]1CN(Cc2cccc(Br)c2Br)C[C@@H]1CBr 2163286613 REYOFXJVBZFORL-UWVGGRQHSA-N 479.960 5.217 50 10 JKGE Fc1ccc(I)cc1[C@@H](Br)Cc1nc2ccccc2s1 2169668174 NDDFKVWYTIIEOQ-NSHDSACASA-N 462.125 5.719 50 10 JKGE FC(F)(F)c1ccc(Oc2ccccc2I)cc1CBr 2181260394 MQUPGURBBZBNJC-UHFFFAOYSA-N 457.027 5.997 50 10 JKGE Cc1c(Br)ccc([C@@H](Br)Cc2cccc(Cl)c2F)c1Br 2203703427 IPCKBIGHIAKPSY-LBPRGKRZSA-N 485.416 6.991 50 10 JKGE C[C@@H](Cl)c1nc2cc(Br)c(Br)cc2n1CCCOCc1ccccc1 2218654581 HARLZURNKDZCFZ-CYBMUJFWSA-N 486.635 6.468 50 10 JKGE Cc1cc(Br)c([C@H](Br)[C@H]2CC[C@H]2C(F)(F)F)cc1Br 2224375517 MWUZVGMTEAGYHU-LPBBDHJYSA-N 464.945 6.545 50 10 JKGE CC1(C)CN(C(=O)c2cc(Br)sc2Br)C[C@H]1CCBr 2230145894 WGNQYVIUYJIGTG-MRVPVSSYSA-N 474.056 5.156 50 10 JKGE CC1([C@H](Br)c2c(Cl)sc(Br)c2Cl)CC2(CC(F)(F)C2)C1 2238842607 CLROMUVLLUWAHO-MRVPVSSYSA-N 469.016 7.469 50 10 JKGE BrC[C@@H]1C[C@H]2CCCC[C@H]2N1Cc1cccc(Br)c1Br 2240672362 BLHACMWPCKSCCF-OSAQELSMSA-N 466.055 5.740 50 10 JKGE Fc1cc(Br)c(F)c(Br)c1[C@H](Br)[C@H]1C[C@H](Br)C1 2250747564 NPCNBWIMGBOTAS-UDJQAZALSA-N 497.797 6.099 50 10 JKGE Clc1cccc([C@@H](Br)Cc2ccc(Br)cc2)c1Br 2256142052 NUKAOBKLCFAMLT-LBPRGKRZSA-N 453.399 6.544 50 10 JKGE CCOc1ccc([C@H](Br)c2ccc(Cl)c(I)c2)s1 2256337941 UKXIHTYMXAUIFZ-CYBMUJFWSA-N 457.558 5.889 50 10 JKGE FC1(F)C[C@H]([C@H](Br)c2ccc(Br)cc2Br)C12CCC2 2266142649 MVYDBBMIZJJHNN-ZYHUDNBSSA-N 458.966 6.473 50 10 JKGE Fc1cc(Br)c(F)c(Br)c1[C@H](Br)[C@H]1C[C@H]1C1CCC1 2272734404 MIHLMARQHKFHQB-YVZVNANGSA-N 458.966 6.362 50 10 JKGE COc1cc(Cl)c([C@H](Br)c2scc(Br)c2Cl)cc1OC 2279286717 GCYPQJDXGAXYPH-NSHDSACASA-N 461.002 6.319 50 10 JKGE Fc1cc(Br)c(F)c(Br)c1[C@H](Br)C[C@@H]1CCCOCC1 2288373280 HJRWPJGJPKFDRC-RKDXNWHRSA-N 476.981 6.133 50 10 JKGE Cc1ccc2nc(C(C#N)=Cc3cc(Cl)c(OCc4ccc(C(=O)O)cc4)c(Cl)c3)[nH]c2c1 2294284793 YFZHGNHMLDONPG-UHFFFAOYSA-N 478.335 6.520 50 10 JKGE COc1cc(Cl)c([C@@H](Br)c2ccccc2I)c(OC)c1 2294906917 HEUYFFSMUXCCCE-HNNXBMFYSA-N 467.528 5.446 50 10 JKGE CC1=C(C=C[C@H](C)C=NNC(=O)c2[nH]c3ccc(Cl)cc3c2-c2ccccc2)C(C)(C)CCC1 2294953857 CVFWIKZCLRWJCE-IBGZPJMESA-N 474.048 7.923 50 10 JKGE COc1cc(OC)c([C@@H](Br)c2nc(C)sc2Br)cc1Br 2295420297 BMFHOTMHCDWAKV-LLVKDONJSA-N 486.023 5.478 50 10 JKGE Cc1cccc(NC=C(C#N)c2nc(-c3cc4cc(Br)ccc4oc3=O)cs2)c1 2295891403 SFYMXVMUPDXKPN-UHFFFAOYSA-N 464.344 5.964 50 10 JKGE Cc1ccc(CBr)cc1NC(=O)c1cc(Br)cc(Br)c1 2296117942 GVVYPVJNBRYRCH-UHFFFAOYSA-N 461.979 5.667 50 10 JKGE C[C@@H](C[C@H](Br)c1ccc(OCc2ccccc2)cc1Br)C(C)(C)C 2299496543 NWORPDZKNWVUJW-KXBFYZLASA-N 454.246 7.536 50 10 JKGE FC(F)(F)CC1([C@H](Br)c2sc(Cl)cc2I)CC1 2301081923 UPNJBAZJIYSTIZ-MRVPVSSYSA-N 459.496 6.175 50 10 JKGE Cc1ccc(NC(=O)C(C#N)=Cc2ccc(OC(=O)c3ccc(Cl)cc3Cl)cc2)cc1 2313630595 CIJBVTPILACRKE-UHFFFAOYSA-N 451.309 6.067 50 10 JKGE COc1cc(C=C(C#N)C(=O)Nc2cccc(Cl)c2)ccc1OCc1ccccc1Cl 2313631536 RONHQBWTFBXQRM-UHFFFAOYSA-N 453.325 6.127 50 10 JKGE N#CC(=Cc1cc(Br)ccc1OCc1ccccc1)C(=O)Nc1ccccc1Cl 2313631946 ZOLDUFIQYVUAMU-UHFFFAOYSA-N 467.750 6.227 50 10 JKGE Cc1cccc(NC(=O)C(C#N)=Cc2cc(Br)ccc2OCc2cccc(Cl)c2)c1C 2313667190 HAKNPJKYUJVXQZ-UHFFFAOYSA-N 495.804 6.844 50 10 JKGE COc1cc(C=C(C#N)C(=O)Nc2cccc(C(F)(F)F)c2)ccc1OCc1cccc(Cl)c1 2313675801 UMSICPTUHKGNMN-UHFFFAOYSA-N 486.877 6.492 50 10 JKGE Brc1ccc(OCc2ccccc2)c([C@@H](Br)[C@@H]2[C@H]3CCCCC[C@H]32)c1 2314452833 QUBFPBITECVACY-JZZBYWGLSA-N 464.241 7.290 50 10 JKGE CC1=C(C#N)C(=O)N([C@H](C)c2ccccc2)C(=O)C1=Cc1ccc(OCc2ccc(C)cc2)cc1 2314618341 LPULYSUPCQWILY-JOCHJYFZSA-N 462.549 5.928 50 10 JKGE Cc1occc1[C@@H](Br)c1c(Cl)cc(Br)c(F)c1Br 2315448838 HDGQDVNEYMACQL-SNVBAGLBSA-N 461.350 6.390 50 10 JKGE Cc1sc2nc(SCC(=O)NN=Cc3ccc(C(C)(C)C)cc3)nc(O)c2c1-c1ccccc1 2318356190 NDPJYQXIPAWVSI-UHFFFAOYSA-N 490.654 5.912 50 10 JKGE CCCCCOc1ccc(C=C(C(=O)Nc2nc(CCl)cs2)c2ccccc2)cc1OC 2318453686 KHNBUAPNCXIAJT-UHFFFAOYSA-N 471.022 6.639 50 10 JKGE Cc1c(Br)sc([C@H](Br)C[C@@H]2CC[C@@H]2C2CC2)c1Br 2319490106 STNCUMRWNNZPCK-HBNTYKKESA-N 457.069 6.844 50 10 JKGE COc1ccc(C(C)=NNC(=O)c2ccc(-c3ccc(Cl)cc3Cl)nc2C)cc1OC 2321275885 BRGPUCCODHWQOD-UHFFFAOYSA-N 458.345 5.535 50 10 JKGE COc1cccc(C=C(C#N)c2cc3c(cc2[N+](=O)[O-])OCCO3)c1OCc1ccccc1F 2331051471 YFLKRMAQQQBAKJ-UHFFFAOYSA-N 462.433 5.157 50 10 JKGE CC[C@@H](C)[C@H](C(O)=C(C#N)c1nc(-c2ccc3ccccc3c2)cs1)N1C(=O)c2ccccc2C1=O 2331239243 XPDZEYOKQPOVCI-CRICUBBOSA-N 493.588 6.467 50 10 JKGE COc1ccc(OCC(O)=C(C#N)c2nc(-c3ccc4c(c3)CCCC4)cs2)c(C(C)(C)C)c1 2331239957 YRVMYWKFEVNEQM-UHFFFAOYSA-N 474.626 6.867 50 10 JKGE Cc1ccc(OCCCC(O)=C(C#N)c2nc(-c3cccc(Br)c3)cs2)cc1 2331278831 LHLXARGPDUARMD-UHFFFAOYSA-N 455.377 6.533 50 10 JKGE Cc1ccc(-c2csc(C(C#N)=C(O)c3ccc4c(c3)C(=O)N(c3ccc(C)cc3C)C4=O)n2)cc1 2331312415 SJKWFDUAUQGGQJ-UHFFFAOYSA-N 491.572 6.486 50 10 JKGE Cc1cc(-c2csc(C(C#N)=C(O)c3ccc4c(c3)C(=O)N(Cc3ccccc3)C4=O)n2)ccc1F 2331320401 JOUCPMNONZNZIW-UHFFFAOYSA-N 495.535 6.004 50 10 JKGE COc1ccc(-c2csc(C(C#N)=C(O)COc3ccc(C)cc3C(C)(C)C)n2)cc1Cl 2331398438 UULMAWLGNCPUAV-UHFFFAOYSA-N 469.006 6.950 50 10 JKGE Cc1ccccc1COc1ccc(C=C(C#N)c2nc(-c3ccc4c(c3)OCCO4)cs2)cc1 2331452240 WTKYPYGUYBKSIK-UHFFFAOYSA-N 466.562 6.533 50 10 JKGE CCOc1ccc(C=C(C#N)c2nc(-c3cc(Cl)cc(C)c3OC)cs2)cc1OCC 2331474864 QTGWCVDOKCLQFL-UHFFFAOYSA-N 454.979 6.642 50 10 JKGE Clc1ccc(C[C@]2(CBr)CCO[C@@H]2C2CC2)cc1I 2337224919 FZBDFDBUYXDOCF-CABCVRRESA-N 455.561 5.067 50 10 JKGE CC1(C)C(Cl)C(C)(C)C1NCc1ccc(I)c(Br)c1 2349851068 CNXUDAHYTWFEEQ-UHFFFAOYSA-N 456.593 5.185 50 10 JKGE CCc1cc(Br)c(OC)c([C@H](Br)c2cc(Br)co2)c1 2353042738 QZXYGQOBHVQYPP-ZDUSSCGKSA-N 452.968 5.860 50 10 JKGE O=S1(=O)C[C@@H]2CCC[C@]2([C@@H](Cl)c2cc(Br)ccc2OCc2ccccc2)C1 2361171766 MJRATYGWDCBPJB-NDXORKPFSA-N 469.828 5.523 50 10 JKGE FC(F)(F)[C@@H]1C[C@@H](Br)CCN1Cc1ccc(Br)cc1Br 2361419876 CVALYRYCNAMWBG-JQWIXIFHSA-N 479.960 5.502 50 10 JKGE Fc1cccc([C@@H](Cl)c2c(Cl)cc(Br)c(F)c2Br)c1Cl 2362226377 VBUBMVLWPMVDIG-GFCCVEGCSA-N 465.346 7.125 50 10 JKGE COc1c(C)cc(Br)cc1[C@H](Br)c1c(Br)nc(C)n1C 2362488379 VUBILYVUBDAAJS-NSHDSACASA-N 466.999 5.055 50 10 JKGE Cc1cc(Br)c(C)c([C@@H](Br)[C@@H]2COC3(C)CC2C3)c1Br 2362924196 RNAFOLGWRFTZIR-VJKXKRPGSA-N 467.039 6.080 50 10 JKGE Cc1sc(Br)c([C@H](Br)CCc2cc(Cl)cc(Cl)c2)c1C 2366888796 HHXCUSJGYLIYID-CYBMUJFWSA-N 457.058 7.503 50 10 JKGE CO[C@]1(C(F)F)C[C@H]([C@H](Br)c2ccc(Br)c(C)c2Br)C1 2368966169 VCBKFXQMFPYWDT-ORUWWINDSA-N 476.981 6.016 50 10 JKGE CCC(CC)(CBr)CN1C[C@H]2CC(F)(F)CC[C@]2(NC(=O)OC(C)(C)C)C1 2370175591 RGQGDDPJQQJUHS-BEFAXECRSA-N 453.412 5.202 50 10 JKGE Cc1ccccc1C[C@@H]1S/C(=C(/C#N)C(=O)Nc2ccc(F)cc2)N(c2ccc(Cl)cc2)C1=O 2406361 KDXLRSWOPLHZBC-YDYXIROLSA-N 491.975 5.853 50 10 JKGE CSc1sc(C)cc1[C@@H]1C(C#N)=C(N)N(c2cccnc2)C2=C1C(=O)C[C@H](c1ccccc1)C2 2480055 JSZYLJNPXONONP-HOYKHHGWSA-N 484.650 5.872 50 10 JKGE COc1cccc([C@@H]2C(C#N)=C3N=C(N)c4ccccc4N3C3=C2C(=O)C[C@H](c2ccccc2)C3)c1 3654402 HJWCBHFRONBXNG-NFQMXDRXSA-N 472.548 5.154 50 10 JKGE O=C(NNC(=O)c1sc2ccccc2c1Cl)c1cccc(OCCc2ccccc2)c1 10331118 XEFXQWFTLOOMOI-UHFFFAOYSA-N 450.947 5.251 50 10 JKGE N#C/C(=C\c1ccc(OCC(=O)Nc2ccc(F)cc2)c(Cl)c1)c1ccc([N+](=O)[O-])cc1 33307022 CIERVJLJDWDTCX-GZTJUZNOSA-N 451.841 5.469 50 10 JKGE Cc1ccc(NC(=O)/C(C#N)=C2/S[C@@H](Cc3ccccc3)C(=O)N2c2ccc(F)cc2)cc1 33579299 HNVTZMXHPJUIBI-GPSDDGMOSA-N 457.530 5.199 50 10 JKGE COC(=O)/C(=C(\F)S/C(C#N)=C1\NC2(CCCCC2)Cc2cc(C)c(C)cc21)C(F)(F)F 34829299 KJEFTFOQOHTHAO-CLFAGFIQSA-N 468.516 5.994 50 10 JKGE C=CCN1C(=O)C(C#N)=C(C)/C(=C\c2cn(-c3ccccc3)nc2-c2cccc(OCCCC)c2)C1=O 38607671 HURPQHJKAQFZMJ-NLRVBDNBSA-N 492.579 5.496 50 10 JKGE Cc1ccc(OCC(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@H]3c2ccc(C(C)(C)C)cc2)cc1C 38649829 SKTVTGMMAHQZIU-NDEPHWFRSA-N 482.580 5.804 50 10 JKGE CCCCCOc1ccccc1[C@@H]1C(C#N)=C(N)Oc2cc(OC(=O)c3cccc(OC)c3)ccc21 38686014 AFUAYRKYHSZMJY-MHZLTWQESA-N 484.552 5.702 50 10 JKGE CCCCOc1ccc(/C=C(\C#N)C(=O)Oc2ccc(C(=O)Nc3cc(C)ccc3C)cc2)cc1 40882604 NHOJZTXGBBJNLH-HKOYGPOVSA-N 468.553 6.247 50 10 JKGE CCCOc1ccccc1/C=C(\C#N)C(=O)Oc1ccc(C(=O)Nc2cc(Cl)ccc2Cl)cc1 40949060 IFFCHQGQATZPPI-XMHGGMMESA-N 495.362 6.547 50 10 JKGE CCOc1ccc([C@@H](O)CCC(=O)N/N=C\c2ccc(OCc3ccc4ccccc4c3)cc2)cc1 58893730 PFTCKSZLCJYSMZ-YKQTVREQSA-N 482.580 5.781 50 10 JKGE C=CCOc1ccc(/C=N/NC(=O)c2ccc(-n3c(C)ccc3-c3ccccc3)cc2)cc1OC 59304380 VFHNZLPZEUSBOE-TWKHWXDSSA-N 465.553 5.790 50 10 JKGE O=C(N/N=C/c1cc(Br)c(Br)o1)c1cc2cc(Br)ccc2o1 59305099 ZDWOVSBWUPLHEH-NGYBGAFCSA-N 490.933 5.077 50 10 JKGE Cc1ccc(CCN(C(=O)CCl)[C@H](C(=O)N[C@@H]2CCC[C@H](C)[C@@H]2C)c2ccc(F)cc2)cc1 97914523 ZFQCSMFPQUUXPQ-NLVWIRSPSA-N 473.032 5.426 50 10 JKGE CCCCOc1ccc(/C=C(/C#N)C(=O)Nc2nc(-c3ccc(OCCC)cc3)cs2)cc1 98026961 CTDMGYUWXIMURJ-PGMHBOJBSA-N 461.587 6.323 50 10 JKGE CC(C)c1ccc(N/C=C(/C#N)c2nc(-c3cc4cc([N+](=O)[O-])ccc4oc3=O)cs2)cc1 100082680 AXUWCMBMDVFBHZ-ATVHPVEESA-N 458.499 5.925 50 10 JKGE Clc1cc(Cl)cc([C@@H](Br)c2cc3c(cc2Br)OCCO3)c1 109865737 OANVZGSXTIDTKR-OAHLLOKOSA-N 452.957 6.011 50 10 JKGE Cc1cc([C@H](Br)c2ccc(Br)c3ccccc23)ccc1Br 137913669 YHBCZSAZEJQHLF-SFHVURJKSA-N 469.014 7.158 50 10 JKGE CC[C@@H](C)N1C(=O)C(C#N)=C(C)/C(=C/c2cn(-c3ccccc3)nc2-c2ccc(C)c(F)c2)C1=O 214258847 MBNDRSNIVSCAGA-VLZFXTDASA-N 468.532 5.378 50 10 JKGE COc1cc(Br)ccc1[C@@H](Br)c1cc(Br)c(Cl)s1 227845616 JFOBGURQJFBHDG-LLVKDONJSA-N 475.427 6.419 50 10 JKGE COc1cc(/C=C(/C#N)C(=O)N[C@@H]2CCCC[C@@H]2C)ccc1OCc1cccc(C(F)(F)F)c1 229525795 CVEPLCGGEHYSOL-ITMNURAISA-N 472.507 5.895 50 10 JKGE COc1ccc(C)cc1[C@H](Cl)c1cc(Br)ccc1I 234847907 ATYSNIXIZOPOGO-OAHLLOKOSA-N 451.529 5.699 50 10 JKGE COc1ccc([C@@H](Cl)c2cc(Br)ccc2I)cc1OC 234975711 WMXRLDRGSIXCEJ-OAHLLOKOSA-N 467.528 5.399 50 10 JKGE C[C@@H]1CC(Oc2c(Br)cc(CBr)cc2Br)C[C@@H](C)C1 235305954 SKKMKPBNWJJIQX-UWVGGRQHSA-N 455.028 6.310 50 10 JKGE Cc1cc([C@H](Br)c2cc(I)ccc2Br)ccc1F 235860352 HZACEFDNTULMNR-AWEZNQCLSA-N 483.944 5.986 50 10 JKGE Clc1ccc([C@H](Br)c2cc(Br)c(Cl)s2)c(Br)c1 236066068 VTWDDUAKHSTZJE-JTQLQIEISA-N 479.846 7.064 50 10 JKGE Clc1cc(Br)cc([C@H](Br)c2cc(Br)c(Cl)s2)c1 236068108 RPTASYFGTAMWCF-JTQLQIEISA-N 479.846 7.064 50 10 JKGE Cc1ccc(C=NNC(=O)CSc2nc(-c3ccccc3)cc(-c3ccccc3)c2C#N)c(O)c1 252640857 YXSFZYYSCLUVFJ-UHFFFAOYSA-N 478.577 5.544 50 10 JKGE CC(=NNC(=O)CSc1nnc(SCc2ccc(C)cc2)s1)c1ccc2ccccc2c1 254813896 MHDUHNPCXFJIRH-UHFFFAOYSA-N 478.668 5.925 50 10 JKGE Brc1cc2c(cc1[C@@H](Br)c1sccc1I)CCO2 308421965 YHQJUQQAIGYXAZ-GFCCVEGCSA-N 499.993 5.534 50 10 JKGE N#C/C(=C1\CCCN(C(=O)OCc2ccccc2)C1)c1cccc(I)c1 310010874 KIDIRYHBEKALNZ-ZZEZOPTASA-N 458.299 5.001 50 10 JKGE Fc1ccc([C@@H](Br)c2scc(C(F)(F)F)c2Br)cc1Cl 312444704 XMRREEWVWMPJCA-SECBINFHSA-N 452.492 6.806 50 10 JKGE FC(F)(F)c1csc([C@H](Br)c2c(Cl)cccc2Cl)c1Br 380086852 CEBMOOWMEIHHQX-SNVBAGLBSA-N 468.947 7.321 50 10 JKGE Clc1ccc([C@@H](Br)c2cc(Cl)c(Cl)c(Cl)c2Cl)c(Cl)c1 404671623 YJMFSGWHBRSGHJ-SNVBAGLBSA-N 453.805 8.091 50 10 JKGE CC(C)(C)OC(=O)NCCN1CCO[C@@H](c2ccc(CO[Si](C)(C)C(C)(C)C)cc2)CC1 616596254 ULIWRXLHBITCCX-JOCHJYFZSA-N 464.723 5.497 50 10 JKGE CN(C(=O)OC(C)(C)C)c1ccccc1[C@H]1CN(CCO[Si](C)(C)C(C)(C)C)c2ccccc2N1 616685540 PJTFOBLUCSVTAC-HSZRJFAPSA-N 497.756 7.053 50 10 JKGE C[C@H]1[C@H](Br)C[C@H]2CC[C@H]1N2Cc1cc(Cl)ccc1I 686184137 GEVAIFHWRKBDBF-XRFFLINXSA-N 454.577 5.081 50 10 JKGE Brc1ccoc1[C@@H](Br)c1cc(Br)c(Br)s1 696490770 KRWCNDOJYNDBOZ-ZETCQYMHSA-N 479.813 6.113 50 10 JKGE BrCC(CBr)(CC[C@@H]1CCCCO1)c1ccccc1Br 699669700 NKWCRZHVKKZRHQ-ZDUSSCGKSA-N 469.055 5.826 50 10 JKGE BrCC(CBr)(CCOC1CCCC1)c1ccccc1Br 701357189 YNLKZHWJBZKVGL-UHFFFAOYSA-N 469.055 5.826 50 10 JKGE BrC[C@@H](COc1c(Br)cc(Br)cc1Br)C1CC1 701863677 UBIIZUAFOQGVLQ-QMMMGPOBSA-N 491.843 5.774 50 10 JKGE Fc1ccc([C@@H](Br)c2scc(Br)c2Br)c2ccccc12 705462002 CXBJERFRLJZAJQ-CYBMUJFWSA-N 479.006 7.050 50 10 JKGE Cc1cc([C@@H](Br)Cc2ccc(Br)cc2F)sc1Br 709612037 BPMLIPKIGGEURO-JTQLQIEISA-N 457.000 6.399 50 10 JKGE BrCc1cc(Br)cc(Br)c1OCCc1ccns1 719832952 QFLYVJGDHVQDFE-UHFFFAOYSA-N 455.997 5.185 50 10 JKGE Brc1cc([C@@H](Br)Cc2ccncc2)ccc1I 721576243 DKMZONCJKGGJAW-NSHDSACASA-N 466.942 5.127 50 10 JKGE Fc1cc(COc2c(Br)cccc2CBr)ccc1Br 722008141 WSIJZMAYBDLJSN-UHFFFAOYSA-N 452.943 5.825 50 10 JKGE Cc1sc([C@@H](Br)c2cccc(Br)c2C)c(C)c1Br 724927792 HPRVANTWCDSFRC-ZDUSSCGKSA-N 453.037 6.683 50 10 JKGE COc1ccc(C(CSc2nc3ccccc3[nH]2)=NNC(=O)c2ccccc2Cl)cc1 1084145553 MCKHWKDZRLFCBD-UHFFFAOYSA-N 450.951 5.151 50 10 JKGE CCOc1ccc([C@H](O)CCC(=O)NN=Cc2ccccc2OCc2ccc(Cl)cc2)cc1 1084653977 RURXUDGENSYVET-XMMPIXPASA-N 466.965 5.282 50 10 JKGE O=C(OCc1ccccc1)N1C[C@H](c2ccc(Br)cc2[N+](=O)[O-])[C@@H](CBr)C1 1614692538 KKAMGTOPMXIFJD-YOEHRIQHSA-N 498.171 5.104 50 10 JKGE FC(F)(F)c1cc(-c2cc(CCl)n(-c3ccc(Br)cc3)n2)cc(C(F)(F)F)c1 1614818289 FSDJUUWUGNIIMD-UHFFFAOYSA-N 483.637 7.078 50 10 JKGE COc1ccccc1/C(C#N)=C/c1cccc(OC(=O)COc2ccc(Cl)cc2Cl)c1 1615179598 GSLRGEHKKGTYHY-GZTJUZNOSA-N 454.309 6.051 50 10 JKGE Cc1c(C(=O)N2c3ccc(F)cc3CC[C@H]2C)oc2c1C(=NNC(=O)c1ccccc1F)CCC2 1772743512 APBYELBLUIREAP-OAHLLOKOSA-N 477.511 5.318 50 10 JKGE Cc1ccc2c(CC(=O)NN=C3CCCc4oc(C(=O)Oc5ccccc5)c(C)c43)coc2c1C 1772752050 SQXSTYMGIZQNSB-UHFFFAOYSA-N 470.525 5.570 50 10 JKGE CC(C)CCC[C@H](C)[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 1848665511 RJYDKYCTOASENH-OFNPRJBJSA-N 491.200 8.957 50 10 JKGE CCN1CCc2nc3ccc(Br)cc3c(C(=O)Nc3ccc(SC#N)cc3)c2C1 1859617170 YOYHVGFGEDFYHE-UHFFFAOYSA-N 467.392 5.201 50 10 JKGE N#CC1=C(N)Oc2c(c(-c3ccccc3)nn2-c2cccc3ccccc23)[C@H]1c1ccc(O)c(O)c1 1865680700 SLJRKXVZIAMIED-VWLOTQADSA-N 472.504 5.322 50 10 JKGE COc1cc([C@H]2C(C#N)=C(N)Oc3c2c(C)nn3Cc2cccc(F)c2)ccc1OCc1ccccc1 1865687253 NBOJDSMCPBYFBX-MHZLTWQESA-N 496.542 5.185 50 10 JKGE CCCc1nn(-c2ccc(OC)cc2)c2c1[C@@H](c1ccc(OCc3ccccc3)cc1)C(C#N)=C(N)O2 1865689525 BGWRUHNKFCJUQQ-MHZLTWQESA-N 492.579 5.631 50 10 JKGE CCCCOc1ccc([C@@H]2C(C#N)=C(N)Oc3c2c(C(F)(F)F)nn3-c2ccccc2Cl)cc1 1865690253 MSMDZKKIGFDQEJ-LJQANCHMSA-N 488.897 5.942 50 10 JKGE CCCOc1ccc([C@H]2C(C#N)=C(N)Oc3c2c(CC)nn3Cc2ccc(Cl)cc2)cc1OCC 1865690894 DOIFBGPLWIMQLJ-DEOSSOPVSA-N 493.007 5.553 50 10 JKGE CCCCOc1c(Br)cc([C@H]2C(C#N)=C(N)Oc3c2c(C)nn3CC(C)C)cc1OC 1865692028 HQFAVTXJMHKNBA-FQEVSTJZSA-N 489.414 5.016 50 10 JKGE CCCOc1cccc([C@@H]2C(C#N)=C(N)Oc3c2c(C)nn3Cc2c(F)cccc2Cl)c1 1865694210 VVKFOVWJYZSRTP-JOCHJYFZSA-N 452.917 5.039 50 10 JKGE CCc1nn(-c2cccc3ccccc23)c2c1[C@@H](c1ccc(N(CC)CC)cc1)C(C#N)=C(N)O2 1865701137 MRASODBQQQQBQW-SANMLTNESA-N 463.585 5.652 50 10 JKGE CCCc1nn(-c2ccccn2)c2c1[C@@H](c1ccc(OCc3ccccc3C)cc1)C(C#N)=C(N)O2 1865702431 ACAMEOUTDWGGOL-SANMLTNESA-N 477.568 5.325 50 10 JKGE CCn1nc(C(F)(F)F)c2c1OC(N)=C(C#N)[C@@H]2c1c(OCc2ccccc2)ccc2ccccc12 1865704424 VIYIXDZPZXGTLT-JOCHJYFZSA-N 490.485 5.872 50 10 JKGE CC(C)Cn1nc(-c2ccccc2)c2c1OC(N)=C(C#N)[C@H]2c1ccc(OC(=O)c2ccccc2)cc1 1865704870 GOYRUDQKVNHFNU-RUZDIDTESA-N 490.563 5.643 50 10 JKGE N#CC1=C(N)Oc2c(c(-c3ccccc3)nn2Cc2ccccc2Cl)[C@@H]1c1ccccc1[N+](=O)[O-] 1865710408 XJFNJGCAWLTQFM-JOCHJYFZSA-N 483.915 5.378 50 10 JKGE CCCc1nn(Cc2cccc(F)c2)c2c1[C@H](c1cccc(OCc3ccccc3)c1)C(C#N)=C(N)O2 1865712200 RZYFJKZFECYVKP-HHHXNRCGSA-N 494.570 5.820 50 10 JKGE C[C@@H](CCNC(=O)/C(C#N)=C/c1cccc(Br)c1)c1cccc(-c2ccc(O)cc2)c1 1866130916 SIPUSXWZGACNTE-TTXZLZEXSA-N 475.386 6.039 50 10 JKGE C[C@@H](NC(=O)CC(c1ccc(F)cc1)c1ccc(F)cc1)C(=O)Nc1ccc(SC#N)cc1 1866761415 AEQWHAYWBKCWSN-MRXNPFEDSA-N 465.525 5.203 50 10 JKGE N#C/C(=C(/O)CNC(=O)c1ccc(Cl)cc1)c1nc(-c2ccc(-c3ccccc3)cc2)cs1 1872743821 NJAMUGACCGCKDQ-GYHWCHFESA-N 471.969 6.353 50 10 JKGE Cc1ccc(S(=O)(=O)NC/C(O)=C(\C#N)c2nc(-c3ccc(Cl)c(Cl)c3)cs2)cc1 1872749307 KVZYNKRMAHGUMO-CYVLTUHYSA-N 480.398 5.197 50 10 JKGE CC[C@H](C)[C@H](/C(O)=C(\C#N)c1nc(-c2ccc(C(C)C)cc2)cs1)N1C(=O)c2ccccc2C1=O 1872751917 HKXUIWHATIJYPK-BYWLSZILSA-N 485.609 6.437 50 10 JKGE CCCCCCCOc1ccc(-c2csc(/C(C#N)=C(\O)c3ccc4cc[nH]c4c3)n2)cc1 1872753000 CNAQZAWZSOKUPA-RWEWTDSWSA-N 457.599 7.590 50 10 JKGE CCOc1cc(/C=C(\C#N)c2nc(-c3ccc(CC)cc3)cs2)cc(Br)c1O 1872781556 IMXYXXPAIWQEHY-RQZCQDPDSA-N 455.377 6.303 50 10 JKGE CCCOc1ccc(-c2csc(/C(C#N)=C/c3ccc(OCc4ccc(C)cc4)c(OC)c3)n2)cc1 1872790861 INUSLAYGRJKECH-PCLIKHOPSA-N 496.632 7.559 50 10 JKGE COc1cc(/C=C(\C#N)c2nc(-c3c(C)c(C)cc(C)c3C)cs2)ccc1OCc1ccccc1 1872792628 ISRKLYHTGHJORJ-AFUMVMLFSA-N 480.633 7.696 50 10 JKGE CCCOc1ccc(-c2csc(/C(C#N)=C(\O)Cc3ccc(F)cc3)n2)cc1OCCC 1872817939 DVBPORMQIZHXMP-XDOYNYLZSA-N 452.551 6.562 50 10 JKGE C[C@@](F)(CO[C@H](CI)c1ccc(Br)cc1)C(F)(F)F 1876652680 ZBFXIUDKBLTGLB-GHMZBOCLSA-N 455.027 5.232 50 10 JKGE Cc1ccc([C@H](Br)c2ccc(OCc3ccccc3)cc2Br)s1 1899860224 NMPRLTKHKVHZAS-LJQANCHMSA-N 452.211 6.882 50 10 JKGE C[C@]1(Cn2c(CCl)nc3c(Br)cc(F)cc32)CCN(Cc2ccccc2)C1 1912670546 ROMWJLWYAYCZFW-NRFANRHFSA-N 450.783 5.589 50 10 JKGE C[C@@H](Br)CN(Cc1ccccc1)C(=O)c1ccc2cc(Br)ccc2c1 1914635124 VOSBGKJQVYYGBX-OAHLLOKOSA-N 461.197 6.028 50 10 JKGE CC[C@@H](Cl)CN(Cc1ccccc1)C(=O)c1scc(Br)c1Br 1915079794 GJJFLMUBKVVJKG-GFCCVEGCSA-N 465.638 5.933 50 10 JKGE CCn1ncc(Br)c1[C@H](Cl)c1sc(Br)cc1Br 1922895258 STYYYDSEKQLVDO-QMMMGPOBSA-N 463.420 5.580 50 10 JKGE Cc1c(Br)sc([C@H](Br)C[C@@H](C)C(F)(F)F)c1Br 1922912747 QGIAEFNGMFALNB-INEUFUBQSA-N 458.963 6.606 50 10 JKGE Cl[C@H](c1c(Br)sc(Br)c1Br)[C@@H]1C[C@@H]2CCCC[C@@H]21 1924616177 LZMNXCMRVRTSAT-SDCKUUTBSA-N 477.487 7.142 50 10 JKGE CN(CCN(Cc1ccccc1)c1ccc(CCl)cc1Br)Cc1ccccc1 1931966376 ZZFLFDRQUMHBFO-UHFFFAOYSA-N 457.843 6.327 50 10 JKGE Cc1cc([C@@H](Br)c2cccc(Br)c2Br)sc1Cl 1943903097 LGAWSZXDGSGRDX-NSHDSACASA-N 459.428 6.719 50 10 JKGE COCCOCCN(Cc1ccccc1)c1cc(Br)ccc1CBr 1946828115 XBMNDWRYGQAXSF-UHFFFAOYSA-N 457.206 5.014 50 10 JKGE O=C(O)CC[C@@H](CCCC[C@H]1CCSS1)NC(=O)OCC1c2ccccc2-c2ccccc21 1951642819 BODAJCLNTJIMLC-MOPGFXCFSA-N 485.671 6.473 50 10 JKGE CCc1sc(Br)cc1[C@H](Br)c1cn(CC)c(Br)n1 2030225004 AJMXECFZIWFPAE-NSHDSACASA-N 457.029 5.536 50 10 JKGE Fc1cc(Br)c([C@@H](Cl)c2cscc2OCc2ccccc2)c(F)c1Cl 2081842687 DQGPNCSEEKXJHP-INIZCTEOSA-N 464.158 7.349 50 10 JKGE Cc1c(F)ccc([C@H](Br)c2cc(Br)sc2Br)c1C 2083353438 ZFUTZQVPJSCNKT-LBPRGKRZSA-N 457.000 6.513 50 10 JKGE CCOc1ccc([C@@H](Cl)c2csc(Br)c2Br)cc1Br 2093942598 WBKVJVMGGOAIKY-GFCCVEGCSA-N 489.454 6.763 50 10 JKGE Clc1c(Br)sc(Br)c1[C@H](Br)[C@H]1CC2(CCCC2)CO1 2109979558 KRFCDDZYKKQGIU-VXNVDRBHSA-N 493.486 6.712 50 10 JKGE COc1cc(Br)c(C)cc1[C@H](Br)c1cc(Br)c(Cl)s1 2115932797 YHSWPIMLZXZXTK-LBPRGKRZSA-N 489.454 6.728 50 10 JKGE CN(C(=O)c1cc(Br)sc1Br)[C@H](CCBr)C(F)(F)F 2122003543 VUGYEIUYIAYCEA-ZCFIWIBFSA-N 487.961 5.061 50 10 JKGE Cc1cc([C@H](Br)c2c(Br)cc(F)c(Cl)c2F)c(Br)s1 2136964683 RIYNWVDMDDISLV-VIFPVBQESA-N 495.408 6.997 50 10 JKGE CC[C@@]12CC[C@@]([C@H](Br)c3sc(Br)c(C)c3Br)(CO1)C2 2137164528 GMLASOMYQUICHL-XBFCOCLRSA-N 473.068 6.367 50 10 JKGE COc1c(C)cc(Br)cc1[C@H](Br)c1ccc(OCc2ccccc2)cc1 2141617607 TTYMOCZXZZAMLS-OAQYLSRUSA-N 476.208 6.829 50 10 JKGE CC1(C)COc2c([C@@H](Br)c3sncc3Br)cc(Br)cc21 2145178946 PGWJZPGMYRREDR-LLVKDONJSA-N 482.035 5.822 50 10 JKGE Cc1sc(Br)cc1[C@@H](Br)c1cc(Br)c2c(c1)CCCO2 2152047596 KDPBTDCLAPEJGO-AWEZNQCLSA-N 481.047 6.391 50 10 JKGE COCCCCN(Cc1ccccc1)S(=O)(=O)c1ccc(Cl)c(CCl)c1Cl 2152211090 ICOKSSUDJPZLGA-UHFFFAOYSA-N 450.815 5.350 50 10 JKGE CCc1nc([C@@H](Br)c2cc(Br)c(C)cc2OC)c(Br)s1 2169488542 SBGQLBXOQGSLKI-LBPRGKRZSA-N 484.051 6.032 50 10 JKGE CN([C@@H]1CC[C@H]1OCc1ccccc1)S(=O)(=O)c1cc(CBr)c(Cl)cc1Cl 2179835557 UVSNAVJBOMQBDH-QZTJIDSGSA-N 493.250 5.257 50 10 JKGE Cc1cc(Br)c([C@@H](Br)[C@]2(C)CCCC(F)(F)C2)cc1Br 2188636347 YCHFXPVEDQCCNT-ZIAGYGMSSA-N 475.009 7.172 50 10 JKGE COCc1csc([C@H](Br)c2c(C)c(Br)cc(C)c2Br)c1 2201063532 UCDOHNDFLLWCSU-HNNXBMFYSA-N 483.063 6.521 50 10 JKGE Cc1c(Br)ccc([C@@H](Br)[C@@H]2CCn3ccnc3C2)c1Br 2203703678 JOZKBICERZHRJM-BMIGLBTASA-N 463.011 5.415 50 10 JKGE COc1c(C)cc([C@@H](Cl)c2ccc(Br)cc2I)cc1C 2207272285 MYXGBINOSQBSFO-OAHLLOKOSA-N 465.556 6.007 50 10 JKGE Cc1sc([C@@H](Br)c2sc(Cl)cc2Br)c(Br)c1C 2215945887 IOUUUHJWGFWKDA-VIFPVBQESA-N 479.484 7.089 50 10 JKGE CC(C)CCOCC[C@@H](Cl)c1sc(Br)c(Br)c1Br 2222471968 BHHBKEHIHZXMOE-MRVPVSSYSA-N 483.491 6.768 50 10 JKGE C[C@@H](Cl)c1nc2cc(Br)c(Br)cc2n1CCCN(C)Cc1ccccc1 2225687586 PZKPQWZIQIFPNZ-CQSZACIVSA-N 499.678 6.383 50 10 JKGE Cc1cc(Br)c([C@H](Br)[C@H]2C[C@@H]2CC(C)C)c(C)c1Br 2227356515 RJVLWYJAPBEWPG-MQIPJXDCSA-N 453.056 6.947 50 10 JKGE Clc1cc(Br)ccc1C[C@H](Br)c1ccc(Br)cc1Cl 2229154367 WRJKYDYEPMWLEM-LBPRGKRZSA-N 487.844 7.197 50 10 JKGE Cc1cc(Br)c([C@@H](Br)c2cc(Br)ccc2F)c(C)c1Cl 2232525648 DNHDNUPQHOABCC-AWEZNQCLSA-N 485.416 7.105 50 10 JKGE COc1ccc(Br)c(CBr)c1OCc1cccc(Br)c1 2236039021 PVKDKNMUXNGTDH-UHFFFAOYSA-N 464.979 5.694 50 10 JKGE CCc1cc([C@@H](Br)c2cc(C)ccc2I)c(F)cc1F 2241002031 SVROIKOZBYWYIZ-MRXNPFEDSA-N 451.092 5.925 50 10 JKGE C[C@H]([C@@H](Br)c1c(F)cc(Br)c(F)c1Br)C(F)(F)F 2260067157 HKNBUULQXQRASF-WVBDSBKLSA-N 460.860 6.124 50 10 JKGE Fc1cc(Br)c(F)c(Br)c1[C@H](Cl)c1csnc1Br 2260067476 KZVFSYFVJPOBCZ-MRVPVSSYSA-N 482.369 6.037 50 10 JKGE CCOC1CC([C@@H](Br)c2c(F)cc(Br)c(F)c2Br)C1 2272747422 JZVUMWFEODERDP-UAAUVXIDSA-N 462.954 5.741 50 10 JKGE COc1c(Br)cc(Cl)c(C)c1[C@H](Br)c1csnc1Br 2277885157 VSUYQMLOCSOUNG-SNVBAGLBSA-N 490.442 6.123 50 10 JKGE Brc1cc(Br)cc(C[C@H](Br)CC[C@H]2CCCCO2)c1 2277961108 PFWMUHCFVOOUMH-IUODEOHRSA-N 455.028 5.867 50 10 JKGE Cc1cccc(Oc2c(CBr)ccc(Br)c2Cl)c1Br 2278290052 JAHPYKOVOXRLRU-UHFFFAOYSA-N 469.398 6.861 50 10 JKGE COc1ccc([C@H](Br)c2cc(F)c(Br)cc2Cl)cc1Br 2282900522 XONUQMVFWJTLRO-AWEZNQCLSA-N 487.388 6.497 50 10 JKGE CCn1ncc(Br)c1[C@@H](Br)c1ccc(OC)c(Cl)c1Br 2283564737 ZWHAHXRITNNGRY-NSHDSACASA-N 487.417 5.574 50 10 JKGE COc1ccc(Br)c2c1nc(CCl)n2CC(C)(C)N(C)Cc1ccccc1 2286080777 LBSFAGLTHMFPHF-UHFFFAOYSA-N 450.808 5.457 50 10 JKGE BrCC(CBr)(CCc1ccccc1)Cc1ncsc1Br 2286718032 RIRQDJUJGMRDMO-UHFFFAOYSA-N 482.079 5.857 50 10 JKGE CS(=O)(=O)c1sccc1[C@@H](Cl)Cc1cc(Br)cc(Br)c1 2295328932 AWUKRMIOBRWKPD-LBPRGKRZSA-N 458.624 5.199 50 10 JKGE Cc1ccc(S(=O)(=O)C(C#N)=Cc2c(Oc3cccc(C)c3C)nc3c(C)cccn3c2=O)cc1 2296720268 HDJBTVNVVQWBGH-UHFFFAOYSA-N 485.565 5.059 50 10 JKGE Cc1ccc(C[C@@H]2SC(=C(C#N)C(=O)NCCc3ccccc3)N(c3ccc(C)cc3)C2=O)cc1 2296835056 SRLFGLWZMUBVLV-SANMLTNESA-N 481.621 5.089 50 10 JKGE CCN1CC(=Cc2ccc(SC)cc2)C2=C(C1)[C@H](c1ccc(SC)cc1)C(C#N)=C(N)N2 2296908017 ULMXWQNSCKIHAV-XMMPIXPASA-N 460.672 5.184 50 10 JKGE Brc1cc(OCc2ccccc2)ccc1[C@@H](Br)C12CC(CCO1)C2 2299493292 KWWIJXLYXVURLD-KHPNHKCMSA-N 452.186 6.033 50 10 JKGE CCCOc1c(I)cc(C=C(C#N)C(=O)Nc2cc(C)ccc2C)cc1OC 2313518156 NRSCQHNHIDRXJQ-UHFFFAOYSA-N 490.341 5.251 50 10 JKGE N#CC(=Cc1cc(Br)c(Sc2ccc(Cl)cc2)o1)c1ccc(Cl)cc1Cl 2313562609 ZBNQRWABJBVSMS-UHFFFAOYSA-N 485.617 8.218 50 10 JKGE Cc1ccc(NC(=O)c2c(-n3c(C)cc(C=C(C#N)C(=O)N(C)C)c3C)sc3c2CCCC3)cc1 2313565182 YKXBWEMDVOZRNS-UHFFFAOYSA-N 486.641 5.590 50 10 JKGE N#CC(=Cc1cccc(OCc2ccccc2Cl)c1)C(=O)Nc1ccc(Cl)c(Cl)c1 2313631411 PXSVQIIVSGMZJB-UHFFFAOYSA-N 457.744 6.771 50 10 JKGE CCOc1cc(C=C(C#N)C(=O)Nc2cccc3ccccc23)cc(Br)c1OCC 2313738927 ZBZWJNGOOQIZSK-UHFFFAOYSA-N 465.347 5.945 50 10 JKGE Cc1ccccc1C[C@@H](Br)c1ccc(OCc2ccccc2)cc1Br 2314449966 VDQWMOSBNFLCNP-OAQYLSRUSA-N 460.209 7.015 50 10 JKGE C[C@@]1([C@@H](Br)c2cc(Br)ccc2OCc2ccccc2)CCCC1(F)F 2314456347 WLALTISGNUKGLS-OALUTQOASA-N 474.183 7.290 50 10 JKGE N#CC(=Cc1ccc(-c2c(Cl)cccc2Cl)o1)c1nc(-c2cccc3ccccc23)cs1 2314456979 OEYDCBGNXPCEQL-UHFFFAOYSA-N 473.384 8.594 50 10 JKGE CCOc1ccc(N2C(=O)[C@@H](Cc3ccccc3)SC2=C(C#N)C(=O)Nc2ccccc2C)cc1 2314592625 YWSINNIACLZAJA-RUZDIDTESA-N 483.593 5.459 50 10 JKGE Cc1ccc(N2C(=O)[C@H](Cc3ccccc3F)SC2=C(C#N)C(=O)N[C@@H](C)c2ccccc2)cc1C 2314593115 HTCAHFJSCYROTG-FNZWTVRRSA-N 499.611 5.746 50 10 JKGE CCc1ccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)C=Cc4ccc(Cl)cc4Cl)ccc32)cc1 2314634415 PQDADKBTMQIPRP-AREMUKBSSA-N 491.374 6.393 50 10 JKGE COc1cc(C=C(C#N)c2ccc(Cl)cc2)ccc1OC(=O)COc1ccc(-c2ccccc2)cc1 2314720225 HHGIQHLFWBISHO-UHFFFAOYSA-N 495.962 7.064 50 10 JKGE CCCNC(=O)C(C#N)=Cc1ccc(OC(=O)c2ccccc2CCc2ccccc2)c(OC)c1 2314739956 CIDQTLDQMAGFNH-UHFFFAOYSA-N 468.553 5.133 50 10 JKGE COCc1ccc([C@@H](Br)c2ccc(Br)cc2Br)s1 2315098245 SFAJJRFKNGJKJG-ZDUSSCGKSA-N 455.009 5.904 50 10 JKGE Fc1c(Br)cc(Cl)c([C@@H](Br)C[C@H]2CCCO2)c1Br 2315449951 WPWOONHHUFXNCB-RQJHMYQMSA-N 465.382 6.009 50 10 JKGE Cn1cnc(Br)c1[C@@H](Br)c1cc(C2CC2)c(Br)s1 2315636154 SABXMLOPISTTHX-VIFPVBQESA-N 455.013 5.368 50 10 JKGE Cc1cc(Br)c(C)c([C@@H](Cl)c2cnsc2Br)c1Br 2315646516 VEGROBBCFSDWOU-NSHDSACASA-N 474.443 6.376 50 10 JKGE Cn1nc(Br)c(Br)c1[C@@H](Br)c1cc2sccc2s1 2316837926 OEIRIWYJLIYWHZ-QMMMGPOBSA-N 471.037 5.706 50 10 JKGE COc1cc(C=C(C#N)c2ccc(Cl)cc2)ccc1OC(=O)c1ccc(-n2cccc2)cc1 2320506650 OMHQADMQXWHDIA-UHFFFAOYSA-N 454.913 6.423 50 10 JKGE COc1ccc(C(C#N)=Cc2ccc(OC(=O)C=Cc3ccc(C(C)C)cc3)c(OC)c2)cc1OC 2320506987 WEGDUSKUHBDUOY-UHFFFAOYSA-N 483.564 6.519 50 10 JKGE COc1ccc([C@@H](C)NC(=O)C(C#N)=CNc2ccc(Cl)cc2C(F)(F)F)cc1OC 2325051598 DRWWDVIUSZDNRL-GFCCVEGCSA-N 453.848 5.073 50 10 JKGE CC[C@H](C)[C@H](NC(=O)OC(C)(C)C)C(=O)NN=Cc1ccc(OCc2cccc(Cl)c2)cc1 2328796390 MQLFJFSLBAICDE-JTSKRJEESA-N 474.001 5.309 50 10 JKGE COc1ccc(Cl)cc1N1C[C@@H](C(O)=C(C#N)c2nc(-c3cc(C)ccc3C)cs2)CC1=O 2331319631 RUKYSABPYPCFBS-INIZCTEOSA-N 479.989 5.935 50 10 JKGE CCc1cccc(CC)c1N1C[C@@H](C(O)=C(C#N)c2nc(-c3ccc(F)c(F)c3)cs2)CC1=O 2331352022 WJBBVAARPRBEQB-SFHVURJKSA-N 479.552 6.059 50 10 JKGE CC(=O)Oc1ccc(C(O)=C(C#N)c2nc(-c3ccc(Oc4ccccc4)cc3)cs2)cc1 2331358934 GIEPZJSLFANVID-UHFFFAOYSA-N 454.507 6.478 50 10 JKGE Cc1cc(C)c(C)c(-c2csc(C(C#N)=C(O)CCCOc3ccc(Cl)cc3Cl)n2)c1C 2331366216 AIZLJYWZPNDALI-UHFFFAOYSA-N 487.452 8.002 50 10 JKGE COc1ccc(-c2csc(C(C#N)=C(O)[C@@H](C)Oc3ccc(C(C)C)cc3)n2)cc1Cl 2331398326 HMSPWXWQAPSXOA-OAHLLOKOSA-N 454.979 6.856 50 10 JKGE CCOc1cc(C=C(C#N)c2nc(-c3ccc(OC)c(C)c3)cs2)ccc1OCc1ccccc1C 2331429703 UZETXTKCXVAQGB-UHFFFAOYSA-N 496.632 7.477 50 10 JKGE COc1ccc(OC)c(-c2csc(C(C#N)=Cc3cccc(OCc4ccccc4)c3)n2)c1 2331450666 KQUPPAITLPXUEF-UHFFFAOYSA-N 454.551 6.470 50 10 JKGE CC(C)=CCCC(C)=CC[C@H](O)C(C)=CCC[C@]1(C)[C@@H](CCCO)C(=C(C)C=O)CC[C@]1(C)O 2333253934 KVTCHSWVSFQOTP-ZXYZSCNASA-N 474.726 6.612 50 10 JKGE ClCc1ccc(OCc2cc(I)ccc2Br)c(Cl)c1 2341780947 SMODRCRBLUHWOE-UHFFFAOYSA-N 471.947 6.025 50 10 JKGE C[C@@H](CCl)[C@H]1CCCCN1Cc1ccc(I)c(Br)c1 2349831009 RLYAYRXIJOQTEP-XHDPSFHLSA-N 456.593 5.283 50 10 JKGE FCC12CC([C@H](Br)c3c(F)cc(Cl)c(Br)c3Cl)(CO1)C2 2360430372 XSVDGAQDENHHMC-PNESKVBLSA-N 450.932 5.850 50 10 JKGE COc1cc(/C=C(\C#N)c2nc3ccccc3[nH]2)ccc1OCc1c(Cl)cccc1Cl 6143352 VGZMBINCTYNGSM-LFIBNONCSA-N 450.325 6.521 50 10 JKGE Cc1cc([C@H]2C(C#N)=C(N)N(c3ccc(Cl)cc3)C3=C2C(=O)C[C@H](c2ccccc2)C3)c(C)s1 9981331 CMZWEKKBXPEJCD-BCHFMIIMSA-N 486.040 6.717 50 10 JKGE Cc1ccc(-c2n[nH]c3c2[C@@H](c2ccccc2OC(=O)c2ccccc2Cl)C(C#N)=C(N)O3)cc1 10013828 FRPWRBFKUARKOP-QFIPXVFZSA-N 482.927 5.476 50 10 JKGE COc1ccc(/C(C#N)=C\c2ccc(OC(=O)COc3ccc(C)cc3)c(OC)c2)cc1OC 31902075 FPMKDBHGHWPVAM-BKUYFWCQSA-N 459.498 5.069 50 10 JKGE COc1cccc(/C(C)=N\NC(=O)CSc2nc3ccccc3n2Cc2ccc(C)cc2)c1 33336604 UNXLZWPMMDQUAD-USHMODERSA-N 458.587 5.034 50 10 JKGE CCOC(=O)/C(C#N)=C/C=C(\c1ccc(Cl)cc1)N1CCN(c2ccccc2Cl)CC1 33742362 MYTHJJSHWFJWSQ-YFADGADWSA-N 456.373 5.170 50 10 JKGE N#C/C(=C/c1ccc(OCc2ccccc2)cc1)C(=O)Nc1ccc([N+](=O)[O-])cc1C(F)(F)F 33930405 HMPFQJHKBYULPO-PDGQHHTCSA-N 467.403 5.738 50 10 JKGE CCCCCCN1C(=O)C(C#N)=C(C)/C(=C\c2ccc(-c3ccc(Br)cc3)o2)C1=O 38604139 HGDHQCHOQQFXRE-XSFVSMFZSA-N 467.363 5.882 50 10 JKGE CC(C)COc1ccc(C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@@H]3c2ccc(C(C)C)cc2)cc1 38649546 BBRQXIGQMCDRPH-MUUNZHRXSA-N 482.580 6.282 50 10 JKGE N#CC1=C(N)Oc2cc(OC(=O)COc3ccc(F)cc3)ccc2[C@H]1c1cccc2ccccc12 38657680 WRJXDKPUXQUPAO-HHHXNRCGSA-N 466.468 5.181 50 10 JKGE CCOc1cc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4ccccc4)ccc32)ccc1OCCC(C)C 38684326 IEHPLDDRBZWOTP-MUUNZHRXSA-N 498.579 5.948 50 10 JKGE Cc1c(C(=O)N2c3ccccc3C[C@H]2C)oc2c1/C(=N/NC(=O)c1ccc(Cl)cc1)CCC2 40811632 MASGFHYLKKFEHG-WVZIWNLSSA-N 461.949 5.303 50 10 JKGE Cc1c(C(=O)Nc2cccc3cccnc23)oc2c1/C(=N/NC(=O)c1ccc3ccccc3n1)CCC2 40825949 MNSZDVJHDVXWFI-QNKGDIEWSA-N 489.535 5.407 50 10 JKGE CCCCOc1ccc(/C=N/NC(=O)c2ccc(OCc3ccc(Cl)cc3Cl)cc2)cc1 48572828 ZREIADNPLUPQBK-LQKURTRISA-N 471.384 6.515 50 10 JKGE CCc1ccccc1N/C(SCc1cccc(Cl)c1)=C(\C#N)S(=O)(=O)c1ccccc1 104689166 CKLZBAZLYJVKAW-VHXPQNKSSA-N 469.031 6.414 50 10 JKGE COc1cc(C)c(Br)cc1[C@@H](Br)c1ccc(I)cc1 115070424 WAGTWHCNMJVEFE-HNNXBMFYSA-N 495.980 5.855 50 10 JKGE Cc1ccc([C@H](Cl)c2cc(Br)ccc2Br)c(Br)c1 163900756 GGAXNUXXJGTQTH-AWEZNQCLSA-N 453.399 6.611 50 10 JKGE COc1ccc(/C=C\C(=O)Oc2ccc(/C=C(/C#N)c3nc(-c4ccccc4)cs3)cc2)cc1 210606915 PTBSZUAORNIJAW-GCKMDHMFSA-N 464.546 6.502 50 10 JKGE C=CCN1C(=O)C(C#N)=C(C)/C(=C/c2cn(-c3ccccc3)nc2-c2cccc(OCCC)c2)C1=O 214354380 QKXHZRUEXOMTGH-UQQQWYQISA-N 478.552 5.106 50 10 JKGE Cc1cc(Br)c(F)cc1-n1c(CCl)nc2cc(I)ccc21 224460571 DRQKZOIMHRCUHP-UHFFFAOYSA-N 479.518 5.579 50 10 JKGE CCC[C@H](CCBr)CNC(=O)c1cc(Br)cc(Br)c1 227496635 HAIIAAMOWYWAGA-SNVBAGLBSA-N 456.016 5.143 50 10 JKGE CCCOc1ccc([C@@H](Cl)c2cccc(I)c2)cc1Br 229001756 KDHIHXHOJKBPDU-INIZCTEOSA-N 465.556 6.171 50 10 JKGE CCCOc1ccc([C@@H](Br)c2cccc(Br)c2)cc1Br 229006388 TYSKTLVQDQUYSB-INIZCTEOSA-N 463.007 6.485 50 10 JKGE Clc1cc([C@H](Cl)c2cc(Br)sc2Br)sc1Br 236031217 KCXLBGKWWBIDPC-SSDOTTSWSA-N 485.875 7.079 50 10 JKGE Fc1cccc([C@@H](Br)c2scc(C(F)(F)F)c2Br)c1Br 380234392 MHWKZOPJGXMUBK-SECBINFHSA-N 496.943 6.915 50 10 JKGE CC[C@H](CC(F)(F)F)[C@@H](Br)c1cc(Br)ccc1Br 402486452 NNKOZUSAXGIMCZ-RDDDGLTNSA-N 452.934 6.626 50 10 JKGE O=C1Cc2cc([C@@H](Br)c3cscc3Br)c(Br)cc2N1 404729781 BCXDIDZSLGARSC-CYBMUJFWSA-N 465.992 5.252 50 10 JKGE CC(C)(C)OC(=O)N1CC[C@H](c2ccc(CCO[Si](C)(C)C(C)(C)C)cc2)c2ccccc21 616674530 IFYZXJGZCRXQOF-HSZRJFAPSA-N 467.726 7.528 50 10 JKGE ClCc1nc2ccc(Br)cc2n1-c1cc(Cl)ccc1I 689772642 YJBWKASEELZURI-UHFFFAOYSA-N 481.946 5.785 50 10 JKGE CC1(C)COc2c([C@H](Br)c3ccsc3Br)cc(Br)cc21 705134850 YXIFSVKXVVJFSU-GFCCVEGCSA-N 481.047 6.427 50 10 JKGE CCn1nc(C)c2nc([C@H](C)Cl)n(CC3(N(Cc4ccccc4)Cc4ccccc4)COC3)c21 705606388 UVZZSAOXKJUVCK-FQEVSTJZSA-N 478.040 5.332 50 10 JKGE Cl[C@@H](c1ccc(I)c(Br)c1)c1ccc(C2CC2)s1 707896278 BCDLVDLRDQPQSE-AWEZNQCLSA-N 453.570 6.321 50 10 JKGE COc1cc(CBr)cc(Br)c1OC[C@H](C)COCc1ccccc1 719524526 SZTQLQWPDRUZII-CQSZACIVSA-N 458.190 5.584 50 10 JKGE Clc1ccc(I)c(CN2CC[C@H]3CC[C@@H](Br)[C@H]2C3)c1 721545763 IPQPKTXRGSMCRD-WDBKCZKBSA-N 454.577 5.083 50 10 JKGE Cc1ccccc1C[C@@H](Br)c1ccc(I)c(Br)c1 721608186 FBDQCIVGMRTCOJ-CYBMUJFWSA-N 479.981 6.041 50 10 JKGE Cc1ccccc1NC(=O)/C(C#N)=C\c1cc(Br)ccc1OCc1ccccc1Cl 1084071555 BKJXRJMWOLEPMC-UNOMPAQXSA-N 481.777 6.536 50 10 JKGE COc1cc(/C=C(/C#N)c2nc3ccc(C)cc3[nH]2)c(Br)c(Br)c1O 1084111921 SIUMHOZUJMQZSX-WDZFZDKYSA-N 463.129 5.175 50 10 JKGE Cc1ccc(S(=O)(=O)OC[C@H](C)[C@H]2CC[C@H]3[C@H](O[Si](C)(C)C(C)(C)C)CCC[C@@]23C)cc1 1084288669 YPZVZHFTOWMQHV-VUTZULNRSA-N 480.787 6.943 50 10 JKGE N#C/C(=C/c1cc(Br)ccc1OCc1ccc(F)cc1)C(=O)Nc1ccccc1Cl 1084651111 TWJNZFWURBAFKA-BOPFTXTBSA-N 485.740 6.366 50 10 JKGE CCN(C(=O)c1oc2c(c1C)C(=NNC(=O)c1ccc(Br)cc1)CCC2)c1ccccc1 1772744130 UKXLWWQRRRZIGI-UHFFFAOYSA-N 494.389 5.488 50 10 JKGE Cc1c(C(=O)NC2CCCC2)oc2c1C(=NNC(=O)c1ccc(-c3ccccc3)cc1)CCC2 1772748235 VFMWUPMEBSABHM-UHFFFAOYSA-N 455.558 5.398 50 10 JKGE CCc1nn(Cc2ccc(Cl)c(Cl)c2)c2c1[C@H](c1ccc(Cl)c(Cl)c1)C(C#N)=C(N)O2 1865686092 QQAZCCFLYNBWPG-LJQANCHMSA-N 494.209 6.326 50 10 JKGE CC(C)Cn1nc(C(F)(F)F)c2c1OC(N)=C(C#N)[C@H]2c1ccc(OCc2ccccc2)cc1 1865690183 KWTZQHOJDRLBSZ-HXUWFJFHSA-N 468.479 5.355 50 10 JKGE CCc1nn(Cc2ccc(Cl)c(Cl)c2)c2c1[C@H](c1cc(OC)ccc1OC)C(C#N)=C(N)O2 1865691815 BRQUVXRVULXBFN-OAQYLSRUSA-N 485.371 5.036 50 10 JKGE CCCOc1c(OC)cccc1[C@@H]1C(C#N)=C(N)Oc2c1c(CC)nn2-c1ccccc1Cl 1865692211 CLQQESFBNSVFMT-OAQYLSRUSA-N 464.953 5.104 50 10 JKGE CCCOc1c(OC)cccc1[C@@H]1C(C#N)=C(N)Oc2c1c(C)nn2-c1cccc2ccccc12 1865692435 FQQQWOWEEJAFIM-RUZDIDTESA-N 466.541 5.350 50 10 JKGE CCCOc1c(OC)cccc1[C@@H]1C(C#N)=C(N)Oc2c1c(CCC)nn2Cc1ccc(C)cc1 1865694402 XRKJBXQCKIPPRO-XMMPIXPASA-N 472.589 5.208 50 10 JKGE CCCOc1ccc([C@H]2C(C#N)=C(N)Oc3c2c(C(F)(F)F)nn3Cc2ccc(C)cc2)cc1 1865694502 WQEBEUYFGPOEIA-FQEVSTJZSA-N 468.479 5.266 50 10 JKGE CCc1nn(Cc2ccccc2)c2c1[C@@H](c1ccccc1OCc1ccccc1Cl)C(C#N)=C(N)O2 1865702496 AZTGUCBPAQAOBM-SANMLTNESA-N 496.998 5.944 50 10 JKGE COc1ccc(-c2nn(Cc3cc(C)ccc3C)c3c2[C@H](c2cccc(OC)c2)C(C#N)=C(N)O3)cc1 1865712096 PKMSXTQNIUIOPA-AREMUKBSSA-N 492.579 5.451 50 10 JKGE CCCOc1ccc(-c2csc(NC(=O)/C(C#N)=C/c3cccc(F)c3)c2C(=O)OCC)cc1 1866131172 HASKCGZGOODYAT-CPNJWEJPSA-N 478.545 6.065 50 10 JKGE CCOC(=O)c1c(-c2ccc(C(C)C)cc2)csc1NC(=O)/C(C#N)=C/c1cccc(F)c1 1866131544 ZZHCWNSPBYNAIG-UDWIEESQSA-N 462.546 6.400 50 10 JKGE CCCC[C@@H](NC(=O)C[C@@H](c1ccc2c(c1)OCCO2)C1CC1)C(=O)Nc1ccc(SC#N)cc1 1866732211 UVFSWCLXJRFAGS-DHIUTWEWSA-N 493.629 5.228 50 10 JKGE CC(C)[C@@H]1c2ccccc2CCN1c1cc(Nc2ccc(SC#N)cc2)nc(-c2ccc(F)cc2)n1 1868456834 URDGOFNFOMFELQ-MUUNZHRXSA-N 495.627 7.359 50 10 JKGE CC(C)(C)c1ccc(-c2csc(/C(C#N)=C(\O)c3cccc(Oc4ccccc4)c3)n2)cc1 1872750503 FQDRMLLGSCOIMJ-LCUIJRPUSA-N 452.579 7.850 50 10 JKGE CSCC[C@@H](/C(O)=C(\C#N)c1nc(-c2ccc(F)cc2)cs1)N1C(=O)c2ccccc2C1=O 1872753042 FKDMZNKUDMXLSC-HUZQBFDWSA-N 479.558 5.160 50 10 JKGE Cc1ccc(C(C)(C)C)cc1-c1csc(/C(C#N)=C(\O)c2ccc(Cl)cc2[N+](=O)[O-])n1 1872756062 QQXSUPNQEFMWRU-UZYVYHOESA-N 453.951 6.928 50 10 JKGE CC1(C)CC[C@H]([C@H](CBr)NC(=O)OC(C)(C)C)[C@@H](CNC(=O)OC(C)(C)C)C1 1885098087 WGYJYGPRADOWPY-PMPSAXMXSA-N 463.457 5.242 50 10 JKGE CC(C)[C@@H](CBr)COc1cc(Br)cc(I)c1 1901053122 JCZKJAMADLSRNR-VIFPVBQESA-N 461.963 5.100 50 10 JKGE C[C@@H](Cl)CN(Cc1ccccc1)C(=O)c1cc(Br)c(Br)s1 1914609672 HAIJPSGAJNXDRE-SNVBAGLBSA-N 451.611 5.543 50 10 JKGE CC(C)[C@@H](CCl)N(Cc1ccccc1)C(=O)c1cc(Br)sc1Br 1915257243 JUOINPPNKAPFJA-CQSZACIVSA-N 479.665 6.179 50 10 JKGE Cc1c(Br)sc([C@@H](Cl)c2cscc2C(F)(F)F)c1Br 1922894878 PINJQWSPUWPOSK-QMMMGPOBSA-N 454.558 6.990 50 10 JKGE Cc1cccc([C@@H](Br)c2sc(Br)c(C)c2Br)c1Cl 1922954488 OTSUPQIGRGADEC-SNVBAGLBSA-N 473.455 7.028 50 10 JKGE F[C@@H]1CC[C@H]([C@H](Cl)c2c(Br)sc(Br)c2Br)C1 1924570685 LSVVAMZWBKFJJU-UUEMRFSQSA-N 455.412 6.454 50 10 JKGE Cc1nc([C@@H](Br)c2cc(Cl)c(Br)s2)c(Br)s1 1980606544 UMYMZVWLGMUNGY-LURJTMIESA-N 466.445 6.176 50 10 JKGE C[C@@H]1CC[C@@H](C[C@@H](Br)c2c(Br)sc(Br)c2Cl)O1 1998140466 KSVHJGKJKBSZNR-DSYKOEDSSA-N 467.448 6.320 50 10 JKGE CC(C)[C@@H](CBr)N(Cc1ccccc1)Cc1ccc(Cl)c(Br)c1F 2001885137 WJERYWMQYJTGOI-QGZVFWFLSA-N 477.643 6.663 50 10 JKGE Cc1cc(Br)c(CBr)c(N2CCC[C@H](OCc3ccccc3)C2)c1 2013491384 UHLSTBOFJDJDBH-KRWDZBQOSA-N 453.218 5.838 50 10 JKGE Cc1nn(-c2ccccc2)c(N2CCCC2)c1C=C(C#N)c1nc(O)c2c(C)c(C)sc2n1 2040458239 CZDJFEFGMLXZQF-UHFFFAOYSA-N 456.575 5.172 50 10 JKGE C[C@]1(C(F)(F)F)C[C@@H]1[C@H](Br)c1c(Br)sc(Br)c1Cl 2043571758 WVGCZNSJKKCHLW-VBMFSKJDSA-N 491.392 6.951 50 10 JKGE COc1cc(C)c([C@@H](Br)c2csc(Br)c2)cc1Br 2078002719 DKMCRHRNTODYPW-ZDUSSCGKSA-N 455.009 6.074 50 10 JKGE Cc1sc(Br)c([C@H](Br)c2cccc(Br)c2Cl)c1C 2082884711 MXMXGCPAIVASDY-LLVKDONJSA-N 473.455 7.028 50 10 JKGE Cc1cc(Br)c([C@H](Br)C2[C@H]3CCCCC[C@H]23)cc1Br 2110919315 LSHGSKDQYCWCFD-MMPTUQATSA-N 451.040 6.782 50 10 JKGE CCC(CBr)(CBr)NC(=O)c1cc(Cl)c(C)c(Br)c1 2111091693 KMVYXCSQGDYSAI-UHFFFAOYSA-N 476.434 5.079 50 10 JKGE Cc1cc(Br)c(C)c([C@H](Br)C[C@@H]2CC[C@H]3C[C@@H]32)c1Br 2136369589 KEFKYGUEXBOHMX-ZJQBRPOHSA-N 451.040 6.701 50 10 JKGE Cn1nc([C@H](Br)c2c(Br)cc(F)c(Cl)c2F)cc1Br 2136962203 SUFAIYOKXRBSEP-VIFPVBQESA-N 479.344 5.361 50 10 JKGE Brc1ccc([C@H](Br)[C@@]23CCCC[C@H]2OCC3)c(Br)c1 2138860675 BTQHAMCARZIBPT-QLFBSQMISA-N 453.012 5.997 50 10 JKGE CCOc1ccc([C@@H](Cl)c2c(Br)cccc2Br)cc1Br 2150495521 XNKYPAOGGRPTMK-OAHLLOKOSA-N 483.425 6.701 50 10 JKGE CC(C)(C)OC(=O)N[C@H](C[S@](C)(=O)=NCC1(CBr)CCCCC1)C(C)(C)C 2163061916 IYFDILYBZYTSHH-JWIGPWBQSA-N 467.514 5.369 50 10 JKGE BrCc1cc(Br)cc(Br)c1OC[C@@H]1CC2(CCC2)CO1 2166423250 MWPXXAAYXSYJPY-LBPRGKRZSA-N 469.011 5.445 50 10 JKGE CC1(C)CCC[C@](CBr)(Cc2cc(Br)ccc2Br)CC1 2175150135 PWBJGQSQBOKKIE-QGZVFWFLSA-N 467.083 7.126 50 10 JKGE FC(F)(F)[C@H]1CN(Cc2cc(Br)ccc2Br)C[C@H]1CBr 2175153190 VMFLMPOJEGBQEN-KOLCDFICSA-N 479.960 5.217 50 10 JKGE BrC[C@H]1CN(c2ncc(Br)cc2Br)Cc2ccccc21 2176231131 YYPBDAXXABTPHO-NSHDSACASA-N 460.995 5.105 50 10 JKGE F[C@@]12CCC[C@@]1(CBr)CN(Cc1cc(Cl)ccc1I)C2 2176641777 VTAFNSSBPKNSJU-HUUCEWRRSA-N 472.567 5.034 50 10 JKGE COc1ccc(S(=O)(=O)N(Cc2ccccc2)C2CCCCC2)cc1CBr 2179858891 VKGPOMCDCVFUIO-UHFFFAOYSA-N 452.414 5.114 50 10 JKGE Cc1cc(Br)cc(CBr)c1OCc1ncc(Br)cc1Cl 2183581084 GJOGRHAJPFSIIG-UHFFFAOYSA-N 484.413 6.042 50 10 JKGE FCCOc1ccccc1[C@H](Cl)c1c(Br)sc(Br)c1Cl 2189517857 NBWWSWQNCIUEGJ-JTQLQIEISA-N 462.993 6.603 50 10 JKGE CCc1nn(C)c([C@H](Br)[C@@H](C)c2ccncc2Br)c1Br 2192373599 JHVMTBZXUYZLBT-QPUJVOFHSA-N 466.015 5.142 50 10 JKGE Cc1cc(Br)c(C)c([C@@H](Cl)Cc2ccccc2Br)c1Br 2201076704 YPPZWWWASDGFDE-AWEZNQCLSA-N 481.453 7.114 50 10 JKGE Cc1cc(Br)c(C)c([C@H](Cl)c2ccc(F)cc2Br)c1Br 2201080538 ZDJDWQWWMACMJM-OAHLLOKOSA-N 485.416 7.058 50 10 JKGE Fc1cc(Br)c(Br)cc1[C@@H](Br)CCOCC(F)F 2218596300 DQKNCFZXJOOXCB-ZETCQYMHSA-N 454.906 5.459 50 10 JKGE Cc1c(Br)sc([C@H](Cl)c2ccc(I)c(Cl)c2)c1C 2218788880 RLTVFVAZCMENPJ-LLVKDONJSA-N 476.004 6.714 50 10 JKGE COC12CCC([C@@H](Br)c3sc(Br)cc3Br)(CC1)C2 2223613094 IVPFZWIUVGZFIE-HIFPTAJRSA-N 459.041 6.058 50 10 JKGE Cc1cc(Br)c([C@@H](Br)[C@H]2CCCC(C)(C)O2)cc1Br 2226845869 ZULPDYQIIJPWER-ZIAGYGMSSA-N 455.028 6.304 50 10 JKGE Cc1cc(Br)c([C@H](Br)[C@H]2OCCO[C@H]2C)c(C)c1Br 2227362854 RDIZMHGXFMXGQC-HERUPUMHSA-N 457.000 5.068 50 10 JKGE Cc1cc(Br)c([C@H](Br)[C@H]2OCCO[C@@H]2C)c(C)c1Br 2227362855 RDIZMHGXFMXGQC-IIMNLJJBSA-N 457.000 5.068 50 10 JKGE Cc1ccc(I)c([C@H](Br)[C@H](C)c2ccncc2Br)c1 2232216041 OQDKGDLAADBCHR-MEBBXXQBSA-N 494.996 5.997 50 10 JKGE Cc1ccc(Cl)c([C@@H](Br)c2c(Br)cc(Cl)c(Cl)c2Cl)c1 2232528471 SOUXYYGXNUSRKB-GFCCVEGCSA-N 477.838 7.855 50 10 JKGE Cc1ccc([C@@H](Cl)c2cc3c(cc2Br)OCC3)cc1I 2232832647 FIJDJOSYEVTQRE-MRXNPFEDSA-N 463.540 5.625 50 10 JKGE C[C@@H](CCn1c(CCCl)nc2c(F)cc(Br)cc21)N(C)Cc1ccccc1 2232924320 UJHVTYQIQWMRBD-HNNXBMFYSA-N 452.799 5.630 50 10 JKGE Brc1ccc(Br)c(CN2CC[C@H]3[C@H](CCC[C@H]3Br)C2)c1 2233818957 CMDLETYHDJGKGF-DIOULYMOSA-N 466.055 5.597 50 10 JKGE CCOc1ccccc1[C@H](Br)c1cc(Br)c(Br)cc1F 2233977004 RYCHVMVLXUCAPO-HNNXBMFYSA-N 466.970 6.234 50 10 JKGE Cc1cc(Br)c([C@H](Br)C(C)(C)CC(F)(F)F)c(C)c1Br 2235614914 MSDRDABZEKKJRC-LBPRGKRZSA-N 480.988 7.243 50 10 JKGE Clc1cc(Br)ccc1C[C@H](Br)c1cc(C2CC2)c(Br)s1 2237455575 NOPFDTFDOANMIA-LBPRGKRZSA-N 499.493 7.483 50 10 JKGE Fc1cccc([C@H](Br)c2ccc3c(c2Br)CCO3)c1Br 2238077864 XTSHPXFSKHDFFB-AWEZNQCLSA-N 464.954 5.770 50 10 JKGE Cc1ccc([C@@H](Br)c2ccc([C@H]3CCOC3)s2)cc1I 2240443133 BMMMWFQSNVKDQN-BLLLJJGKSA-N 463.178 5.649 50 10 JKGE CCc1cc([C@@H](Br)c2cscc2OCc2ccccc2)sc1Br 2243490495 PBMHNHGSIVBPPR-KRWDZBQOSA-N 472.267 7.198 50 10 JKGE C[C@]1([C@H](Br)c2c(F)cc(Br)c(F)c2Br)CC1(F)F 2260014210 OPYGLMIBTHAFNA-NXEZZACHSA-N 454.881 5.971 50 10 JKGE CC1(F)CC([C@H](Br)c2c(F)cc(Br)c(F)c2Br)C1 2260068913 RAYVVRNHSVKRMN-MFOBGVTRSA-N 450.918 6.064 50 10 JKGE Cc1cc(Br)c([C@@H](Br)c2ccc(OCc3ccccc3)cc2)c(C)c1F 2264470127 BZIYFBXBHHSSPM-NRFANRHFSA-N 478.199 7.268 50 10 JKGE COc1ccc([C@@H](Br)c2cc(Cl)ccc2Cl)cc1I 2269550541 ZZSBXDQFBSVZEK-CQSZACIVSA-N 471.947 6.091 50 10 JKGE Cc1cc(Br)c(C)c([C@@H](Br)[C@]23COC[C@H](C2)C3)c1Br 2273073164 FJZOZHDMGATANZ-VCTAVGKDSA-N 453.012 5.691 50 10 JKGE COc1cc(Br)c([C@@H](Br)c2cccc(Cl)c2Br)cc1C 2283195804 XAOKNNYXRGHTBZ-AWEZNQCLSA-N 483.425 6.666 50 10 JKGE N#CC(=Cc1ccc(OCc2ccccc2C#N)c(Br)c1)C(=O)NCc1cccs1 2294581301 DBJXDLXPXCMWCD-UHFFFAOYSA-N 478.371 5.185 50 10 JKGE N#CC(C(=O)Nc1ccccc1F)=C1S[C@H](Cc2ccccc2Cl)C(=O)N1c1ccccc1 2296500314 FKUNMRPUOYWNRX-JOCHJYFZSA-N 477.948 5.544 50 10 JKGE Cc1cc(C)cc(NC(SCc2cccc(Cl)c2)=C(C#N)S(=O)(=O)c2ccccc2)c1 2297350034 OHHPIBBQNKVGHI-UHFFFAOYSA-N 469.031 6.469 50 10 JKGE Cc1ccc(C[C@@H]2SC(=C(C#N)C(=O)Nc3cccc(C)c3C)N(c3ccccc3)C2=O)cc1 2297463180 NIKPCJDOOPWJIM-VWLOTQADSA-N 467.594 5.677 50 10 JKGE Brc1ccc(OCc2ccccc2)c([C@@H](Br)[C@H]2CC23CCCC3)c1 2299503252 DGHKLAPHFLZYQB-UYAOXDASSA-N 450.214 7.044 50 10 JKGE C[C@@H]1OCCO[C@H]1[C@H](Br)c1ccc(OCc2ccccc2)cc1Br 2299534287 BSILOERGKVBBCX-MJXNMMHHSA-N 456.174 5.268 50 10 JKGE Cc1cccc(C[C@@H]2SC(=C(C#N)C(=O)N[C@H](C)c3ccccc3)N(c3ccc(C)c(C)c3)C2=O)c1 2314593396 MISWIATZKHXNDG-AMGIVPHBSA-N 495.648 5.916 50 10 JKGE CC1=C(C#N)C(=O)N(Cc2ccc(C)cc2)C(=O)C1=Cc1ccc(OCc2ccccc2F)cc1 2314617383 XFPIIUHCBGNODK-UHFFFAOYSA-N 466.512 5.506 50 10 JKGE CC1(C)C[C@@]1(Cl)[C@@H](Br)c1c(Cl)cc(Br)c(F)c1Br 2315450573 FKEXPARXUNGXMP-CMPLNLGQSA-N 483.828 6.848 50 10 JKGE Cc1ccc2nc(-c3ccc(NC=C(C#N)C(=O)N[C@H](C)C45CC6CC(CC(C6)C4)C5)cc3)sc2c1 2324904508 XLVOKXSDACWXGH-QYNNZWMWSA-N 496.680 6.812 50 10 JKGE CC(C)[C@@H](C(O)=C(C#N)c1nc(-c2ccc3ccccc3c2)cs1)N1C(=O)c2ccccc2C1=O 2331237899 QWBRJVBLCLWINR-DEOSSOPVSA-N 479.561 6.077 50 10 JKGE CSCC[C@H](C(O)=C(C#N)c1nc(-c2ccccc2Cl)cs1)N1C(=O)c2ccccc2C1=O 2331271341 JUPXCXNLGCOIAK-HXUWFJFHSA-N 496.013 5.674 50 10 JKGE CCOc1ccc(OCC)c(-c2csc(C(C#N)=C(O)CNC(=O)c3ccc(Cl)cc3)n2)c1 2331376020 DXZVUPWDHFZFDR-UHFFFAOYSA-N 483.977 5.484 50 10 JKGE COc1ccc(-c2csc(C(C#N)=C(O)[C@@H](C)Oc3ccc(C(C)C)cc3)n2)c(OC)c1 2331385508 KCQJNUOLTFPDTP-MRXNPFEDSA-N 450.560 6.211 50 10 JKGE COc1ccc(-c2csc(C(C#N)=C(O)COc3cc(C)c(Cl)c(C)c3)n2)c2ccccc12 2331406511 UGLFVCZJFXXCOR-UHFFFAOYSA-N 476.985 7.114 50 10 JKGE Cc1ccc(COc2ccc(C=C(C#N)c3nc(-c4cccc([N+](=O)[O-])c4)cs3)cc2)cc1 2331414492 KQZNEXRHVOYPHW-UHFFFAOYSA-N 453.523 6.670 50 10 JKGE CCN(Cc1ccccc1)c1ccc(C=C(C#N)c2nc(-c3ccc(F)c(C)c3)cs2)cc1 2331449080 JUYXIVHQUOGFNE-UHFFFAOYSA-N 453.586 7.348 50 10 JKGE COc1cc(C=C(C#N)c2nc(-c3ccc4c(c3)OCCO4)cs2)ccc1OCCc1ccccc1 2331451377 XHDIGJIOZRUSJQ-UHFFFAOYSA-N 496.588 6.276 50 10 JKGE CCCCCOc1ccc(C=C(C#N)c2nc(-c3ccc(OC)c4ccccc34)cs2)cc1OC 2331489122 ANSYNQNHIMFOGE-UHFFFAOYSA-N 484.621 7.614 50 10 JKGE COc1ccc([C@@H](Br)c2ccc(OCc3ccccc3)cc2Br)c(Cl)c1 2336040749 INQGGWLPQIPOAE-NRFANRHFSA-N 496.626 7.174 50 10 JKGE CO[C@@H]1CC[C@H]1C[C@@H](Br)c1c(Cl)cc(Br)c(F)c1Br 2337098697 RQDMBOSCHIAWRO-NYNCVSEMSA-N 479.409 6.255 50 10 JKGE Cc1cc(Br)c(F)c(Br)c1[C@H](Br)[C@H]1CCC[C@@H]2C[C@H]12 2339654271 QYQSBAPUVKCLRV-KEPMVKOISA-N 455.003 6.531 50 10 JKGE COc1c(Br)cc(C)c([C@@H](Br)c2ccsc2C)c1Br 2339655716 GOGFBEIPYHUVFM-LBPRGKRZSA-N 469.036 6.383 50 10 JKGE Cl[C@@H](c1csc(I)c1)c1cc2c(cc1Br)OCCC2 2343597445 WFHHVIZNAMUCGI-AWEZNQCLSA-N 469.569 5.768 50 10 JKGE Clc1ccc(I)cc1CN1CCC[C@@H](CCBr)CC1 2352412472 UMYYKLXCYMTMJE-LBPRGKRZSA-N 456.593 5.332 50 10 JKGE FC1(F)CCC2(CC1)C[C@@H]2[C@H](Cl)c1ccc(OCc2ccccc2)cc1Br 2361168258 KBTSXYVFAPNTNC-UYAOXDASSA-N 455.770 7.524 50 10 JKGE Brc1cc(OCc2ccccc2)ccc1[C@H](Br)[C@@H]1CC[C@@H]2CCCC[C@@H]2C1 2361200040 GEKQIYOUIXDMCS-UECWXEIQSA-N 492.295 8.071 50 10 JKGE COc1c(Br)cc(C)c([C@H](Br)[C@@H]2CCCC23CC3)c1Br 2365188518 MBLTZVRNBSUWRI-GXFFZTMASA-N 467.039 6.545 50 10 JKGE CC[C@]1([C@@H](Br)c2c(C)cc(Br)c(OC)c2Br)CC1(F)F 2365190946 JUYCKJMHDDLUNK-QWHCGFSZSA-N 476.981 6.400 50 10 JKGE Cc1cc(Br)c(F)c(Br)c1[C@@H](Br)C1CC2(C1)CC2(C)C 2365192356 BMIZYJANWGJGGI-WAUNPFCKSA-N 469.030 6.921 50 10 JKGE Cc1cc(Br)c(F)c(Br)c1[C@@H](Br)CC1CCCCCC1 2365216247 SBPJNRINLJUAFN-LBPRGKRZSA-N 471.046 7.456 50 10 JKGE Fc1cc(Cl)c([C@H](Cl)Cc2cc(Br)cc(Br)c2)c(Cl)c1 2366418812 ASMPLLIHVZIKIY-LLVKDONJSA-N 461.383 7.180 50 10 JKGE Clc1cc(Cl)cc(CC[C@H](Br)c2ccc(Cl)cc2Br)c1 2366886408 DZNLFJQTFWXCCR-AWEZNQCLSA-N 457.420 7.478 50 10 JKGE Cc1scc(CN(C)c2c(CCl)ccc(Br)c2Cl)c1Br 2369746420 UGVXHALAZLCZSQ-UHFFFAOYSA-N 458.046 6.610 50 10 JKGE CCc1cc(Br)c(OC)c([C@H](Br)c2scc(C)c2Br)c1 2381254757 UEDTZCUTRNDRSX-ZDUSSCGKSA-N 483.063 6.637 50 10 JKGE COc1ccc([C@@H]2C(C#N)=C(C)N(c3[nH]nc(C)c3-c3ccccc3)C3=C2C(=O)CC(C)(C)C3)cc1 2202902 VMIOSEVDCACYJC-HHHXNRCGSA-N 478.596 6.438 50 10 JKGE Cc1c(Cl)cccc1N(C(=O)CCl)[C@H](C(=O)NC1CCCCC1)c1ccc(Cl)cc1 3035270 JRLJUAVVTZJHPQ-QFIPXVFZSA-N 467.824 6.064 50 10 JKGE N#CC(C(=O)NCCC1=CCCCC1)=C(SCc1cccc(F)c1)SCc1cccc(F)c1 3059076 JVJKQTYTVQULSC-UHFFFAOYSA-N 484.637 6.873 50 10 JKGE CSc1sc(C)cc1[C@H]1C(C#N)=C(N)N(c2ccccc2C)C2=C1C(=O)C[C@@H](c1ccccc1)C2 9982516 GHLNRGIZCWMQEN-FNZWTVRRSA-N 497.689 6.785 50 10 JKGE N#C/C(C(=O)Nc1cccc2ccccc12)=C1\S[C@H](Cc2ccc(F)cc2)C(=O)N1c1ccccc1 12273751 OHFGWLQRKQCUQV-AHCSBEPMSA-N 493.563 6.044 50 10 JKGE COc1ccc(-c2nn(-c3ccccc3)cc2/C=C(\C#N)C(=O)Nc2cccc3ncccc23)cc1 12578405 NWFMQYYAUZQFKS-HEHNFIMWSA-N 471.520 5.642 50 10 JKGE CCCCCCOc1ccc(C(=O)NNC(=O)[C@H](C)Oc2ccc(Cl)cc2Br)cc1 14644471 HLRDKDWHYSRSIZ-HNNXBMFYSA-N 497.817 5.290 50 10 JKGE N#C/C(=C\c1ccc(-c2ccccc2[N+](=O)[O-])o1)c1nc(-c2ccc(Br)cc2)cs1 28357301 LMZWALGHFTWQCX-RVDMUPIBSA-N 478.327 6.805 50 10 JKGE N#C/C(=C/c1ccc(-c2ccc(Cl)c(Cl)c2)o1)C(=O)Nc1ccc([N+](=O)[O-])cc1Cl 33930174 HNPGYYPQEYMDOW-GHXNOFRVSA-N 462.676 6.361 50 10 JKGE CCCCOc1ccc(/C=C2/C(=O)N(Cc3ccc(C)cc3)C(=O)C(C#N)=C2C)cc1OCC 38608444 SHFFILKPWMXMNG-HZHRSRAPSA-N 458.558 5.365 50 10 JKGE CC(C)(C)c1ccc(C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@H]3c2cccc(Cl)c2)cc1 38651122 CIBVQXHMEAYHMQ-DEOSSOPVSA-N 458.945 6.075 50 10 JKGE COc1cccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)Cc4cccc5ccccc45)ccc32)c1OC 38658905 HXUUBEWIZQBNIQ-NDEPHWFRSA-N 492.531 5.223 50 10 JKGE Cc1ccc(C(=O)N/N=C2\CCCc3oc(C(=O)Nc4cc(Cl)ccc4Cl)c(C)c32)cc1 40804677 REWHEQJJVBODCY-MTDXEUNCSA-N 470.356 5.926 50 10 JKGE Cc1cc(C)c2c(CC(=O)N/N=C3\CCCc4oc(C(=O)Nc5ccc(C)c(C)c5)c(C)c43)coc2c1 40826897 FPLLDCXZNZICPH-AWSUPERCSA-N 497.595 6.220 50 10 JKGE Cc1ccc(/C=N/NC(=O)CSc2c(Cl)c(Cl)c(Cl)c(Cl)c2Cl)cc1 59166936 ILIZAFNJXJGKIL-GEVRCRHISA-N 456.609 6.504 50 10 JKGE COc1ccc(NC(=O)/C(C#N)=C\c2cc(Cl)ccc2OCc2cccc(Cl)c2)cc1 59296999 OPUZJYOWJSPINY-PDGQHHTCSA-N 453.325 6.127 50 10 JKGE Cc1ccc(-c2ccccc2)n1-c1ccc(C(=O)N/N=C/c2ccc(-c3cccc(Cl)c3)o2)cc1 59305443 UREMYIYZGPPUCD-ZCTHSVRISA-N 479.967 7.130 50 10 JKGE FC(F)(F)[C@H](Br)COc1c(I)cc(Cl)c2cccnc12 69394267 AMHDEXNDHASNRG-SECBINFHSA-N 480.449 5.197 50 10 JKGE C[C@@H](Cl)c1nc2cc(I)ccc2n1Cc1ccc(Br)s1 97355196 PEESBGQNRPOSBM-MRVPVSSYSA-N 481.584 5.813 50 10 JKGE CCCCCCOc1ccc(/C=C(/C#N)C(=O)Nc2nnc(C(CC)CC)s2)cc1OC 98028248 VZBSMPKIBCKLSP-RGEXLXHISA-N 456.612 5.955 50 10 JKGE COc1cc(/C=C(/C#N)C(=O)Nc2nc3ccccc3s2)cc(Cl)c1OCc1ccccc1F 102443868 QPZZDAQKSVUDMM-YVLHZVERSA-N 493.947 6.222 50 10 JKGE Cc1ccc(S(=O)(=O)/C(C#N)=C\c2c(Oc3ccc(Cl)c(C)c3)nc3ccccn3c2=O)cc1 102850546 YTCZRXLHPFSIAS-ZHZULCJRSA-N 491.956 5.095 50 10 JKGE Brc1ccc(C[C@H](Br)c2ccc(I)cc2)cc1 104173060 XKAWMPJAMNKNLD-AWEZNQCLSA-N 465.954 5.732 50 10 JKGE Brc1ccccc1[C@H](Br)c1cc2c(cc1Br)OCCO2 109865741 HKNFVIISIYGONP-HNNXBMFYSA-N 462.963 5.467 50 10 JKGE COc1ccc(Br)cc1C[C@@H](CBr)c1cccc(Br)c1 118859255 ZANVKSOFGLROKS-ZDUSSCGKSA-N 463.007 5.941 50 10 JKGE O=C(N[C@@H]1c2ccccc2C[C@@H]1Br)c1cc(Br)c(Br)s1 123755499 AQJLYWFWTSHLNF-JOYOIKCWSA-N 480.019 5.064 50 10 JKGE Cc1ccc(Br)cc1[C@H](Cl)c1cc(Br)c(Br)s1 128158075 OLKMOZJWACCDPX-NSHDSACASA-N 459.428 6.672 50 10 JKGE Cc1cc(Br)c([C@H](Br)C[C@H](C)CC(C)(C)C)cc1Br 128793551 MDLRCFVIPBYQRL-IINYFYTJSA-N 455.072 7.418 50 10 JKGE O=S(=O)(Nc1cccc(CBr)c1)c1c(Cl)cc(Br)cc1Cl 137112764 FHXYNBIDJPLFPA-UHFFFAOYSA-N 474.001 5.452 50 10 JKGE Cc1cccc(C(CBr)(CBr)Cc2ccc(Br)cn2)c1 169003890 XKUCTQBVODDWIM-UHFFFAOYSA-N 462.023 5.423 50 10 JKGE COc1cc(/C=N\NC(=O)c2ccccc2Cl)ccc1OCc1ccc(C(C)(C)C)cc1 169886022 IUCZNUAVEYMEFQ-NTFVMDSBSA-N 450.966 5.989 50 10 JKGE N#C/C(=C/c1ccc(OC(=O)/C(=C\c2ccccc2)c2ccccc2)cc1)C(=O)NCc1ccco1 206687058 ZEDSHWPEINFEMN-YDTSYWMBSA-N 474.516 5.649 50 10 JKGE CCC(CC)(CBr)CNC(=O)c1cc(Br)ccc1Br 230247574 RTYMDPYREFNXBG-UHFFFAOYSA-N 456.016 5.143 50 10 JKGE CCOc1ccc([C@H](Cl)c2cc(Br)sc2Br)cc1Br 233801966 WZYVERMXLYKLGK-LBPRGKRZSA-N 489.454 6.763 50 10 JKGE Cc1cccc([C@H](Cl)c2cc(Br)ccc2Br)c1Br 235904159 FHKYAKFBMZSZPK-AWEZNQCLSA-N 453.399 6.611 50 10 JKGE Fc1ccc([C@H](Br)c2cc(F)c(Br)cc2F)cc1Br 236246943 VZAAKQQHPOQXFZ-ZDUSSCGKSA-N 458.897 6.113 50 10 JKGE Cc1ccc(NCc2nnc(S[C@@H](C)C(=O)NN=Cc3ccccc3C)n2-c2ccccc2)cc1 252639328 YJKKSTDMKUWLGJ-NRFANRHFSA-N 484.629 5.127 50 10 JKGE C[C@@H]1CCc2sc(C(=O)NN=Cc3sc(N4CCCCC4)nc3-c3cccs3)cc2C1 254385581 QBKOMASLLJVNHU-OAHLLOKOSA-N 470.689 5.812 50 10 JKGE CCCCOc1ccc(C(=O)Oc2ccc(C=NNC(=O)c3cc4ccccc4o3)cc2)cc1 254860423 MKBNRAUFWKWDJM-UHFFFAOYSA-N 456.498 5.595 50 10 JKGE Cc1cc(Br)cc([C@H](Br)c2cc3c(cc2Br)OCC3)c1 308436924 PYSCSDCICNRZTQ-INIZCTEOSA-N 460.991 5.939 50 10 JKGE Fc1ccc([C@@H](Cl)c2scc(C(F)(F)F)c2Br)c(Br)c1 312231007 CUUZSKKWNGZGDO-SNVBAGLBSA-N 452.492 6.759 50 10 JKGE FC(F)(F)Oc1cccc([C@@H](Br)c2cc(Cl)c(Br)s2)c1 380209037 GQLCKJDTAOFZBU-SNVBAGLBSA-N 450.501 6.547 50 10 JKGE Fc1cccc(Br)c1[C@@H]1CN(Cc2ccccc2)C[C@@H]1CI 382687077 GOUJNGPCKZINFH-LSDHHAIUSA-N 474.155 5.239 50 10 JKGE Cc1cc([C@@H](Br)c2ccc(I)c(Cl)c2)c(C)cc1F 386314141 BOYAXYARUBVAES-HNNXBMFYSA-N 453.520 6.185 50 10 JKGE CCOc1cccc2c1nc([C@H](C)Cl)n2CCCN(Cc1ccccc1)Cc1ccccc1 390492705 QBZOQIVHGAVRBE-QFIPXVFZSA-N 462.037 6.827 50 10 JKGE COc1cc(CC(CBr)(CBr)c2ccc(Br)cc2)sn1 400582093 UGMYRYAAEODZHP-UHFFFAOYSA-N 484.051 5.185 50 10 JKGE COC(=O)C[C@@H](N[S@@](=O)C(C)(C)C)c1ccc(O[Si](C(C)C)(C(C)C)C(C)C)cc1 504245531 XRVCQPWZEHUSMR-PBBNMVCDSA-N 455.737 5.897 50 10 JKGE Fc1ccc([C@@H](Br)Cc2cccc(Br)c2)c(F)c1Br 691636476 QFTLRSGZSDZBBU-NSHDSACASA-N 454.934 6.169 50 10 JKGE Fc1ccc(Br)c(CC(CBr)(CBr)C2CCCCC2)c1 696838782 SHSPGMQTCDLEEQ-UHFFFAOYSA-N 471.046 6.487 50 10 JKGE C[C@@H]1Cc2cc(Br)cc([C@H](Cl)c3csc(I)c3)c2O1 720131906 KKWSOHQRPZLNIM-FUXBKTLASA-N 469.569 5.767 50 10 JKGE COc1ccc(F)cc1[C@H](Cl)c1ccc(I)c(Br)c1 721607346 YLMJQFRMPGLUHV-CQSZACIVSA-N 455.492 5.530 50 10 JKGE CC1(C)CC(/C=C\c2ccc(/C=C\C3=CC(=C(C#N)C#N)CC(C)(C)C3)cc2)=CC(=C(C#N)C#N)C1 1082888923 WAKLMYVFVNQOTF-HWAYABPNSA-N 470.620 7.893 50 10 JKGE N#C/C(=C/c1ccc(OC(=O)c2ccc(Cl)cc2)cc1)C(=O)Nc1cccc(Cl)c1Cl 1084012081 MIQQHPPAVMINEG-VBKFSLOCSA-N 471.727 6.412 50 10 JKGE O=C(NN=C(CSc1nc2ccccc2o1)c1ccc(Br)cc1)c1ccccc1 1084218627 CQHJTXPYMNTGND-UHFFFAOYSA-N 466.360 5.517 50 10 JKGE N#C/C(=C/c1cccc(OC(=O)c2ccc(Cl)cc2)c1)C(=O)Nc1cccc2ccccc12 1084443645 GNBBCDYJNYBCQU-QNGOZBTKSA-N 452.897 6.258 50 10 JKGE O=C(NN=Cc1cc(Br)ccc1OCc1ccccc1Cl)c1cc2ccccc2o1 1084548800 OZINHZPKWJHQQE-UHFFFAOYSA-N 483.749 6.192 50 10 JKGE Cc1cc(C=NNC(=O)CSCc2cccc(Br)c2)c(C)n1-c1ccccc1 1084573730 CMWJMFZIKJXAJJ-UHFFFAOYSA-N 456.409 5.240 50 10 JKGE N#CC1=C(N)Oc2c(c(C(F)(F)F)nn2Cc2c(F)cccc2Cl)[C@@H]1c1ccc(Cl)cc1 1865683963 RPBGBQHEIHIWEX-MRXNPFEDSA-N 483.252 5.614 50 10 JKGE COc1cc([C@@H]2C(C#N)=C(N)Oc3c2c(C)nn3Cc2ccccc2)ccc1OCCc1ccccc1 1865688012 GLWQJYNPDKZLMT-MUUNZHRXSA-N 492.579 5.088 50 10 JKGE CC(C)Cn1nc(-c2ccccc2)c2c1OC(N)=C(C#N)[C@H]2c1ccc(OCc2ccccc2)cc1 1865690284 NIMCOUSFXGLOOH-AREMUKBSSA-N 476.580 6.003 50 10 JKGE CCCc1nn(-c2ccc(Cl)cc2)c2c1[C@@H](c1ccc(OCc3ccccc3)cc1)C(C#N)=C(N)O2 1865690677 YQATWOLOWGDHEN-SANMLTNESA-N 496.998 6.275 50 10 JKGE CCCCCOc1ccc([C@@H]2C(C#N)=C(N)Oc3c2c(C)nn3-c2ccc(Cl)cc2)cc1OCC 1865690940 FLFQYTIFTCNDRD-RUZDIDTESA-N 493.007 6.020 50 10 JKGE CCCc1nn(-c2ccccc2)c2c1[C@@H](c1ccc(OCc3ccccc3C)cc1)C(C#N)=C(N)O2 1865703697 ZJXSHXYCMIFESS-MHZLTWQESA-N 476.580 5.930 50 10 JKGE Cn1nc(-c2ccccc2)c2c1OC(N)=C(C#N)[C@@H]2c1ccc(OCc2ccccc2Cl)cc1 1865704005 KMEXYKPVABTDMM-QHCPKHFHSA-N 468.944 5.538 50 10 JKGE CCCc1nn(CCC)c2c1[C@H](c1c(OCc3ccccc3)ccc3ccccc13)C(C#N)=C(N)O2 1865704543 YIFRAFUHNVPQHX-MHZLTWQESA-N 478.596 6.196 50 10 JKGE CC[C@H](C)[C@H](/C(O)=C(\C#N)c1nc(-c2ccccc2Cl)cs1)N1C(=O)c2ccccc2C1=O 1872746149 UUFSBMOPAAIYGI-NXPKPVPGSA-N 477.973 5.967 50 10 JKGE Cc1ccc(C)c(-c2csc(/C(C#N)=C(\O)c3ccc4c(c3)C(=O)N(Cc3ccccc3)C4=O)n2)c1 1872749944 OUDDOXGXQSLAOT-LCUIJRPUSA-N 491.572 6.173 50 10 JKGE CC(C)CN1C(=O)c2ccc(/C(O)=C(\C#N)c3nc(-c4ccc(C(C)C)cc4)cs3)cc2C1=O 1872751723 CASRZBQOXFGLOW-GYHWCHFESA-N 471.582 6.135 50 10 JKGE CCc1cccc(C)c1N1C[C@@H](/C(O)=C(\C#N)c2nc(-c3c[nH]c4ccccc34)cs2)CC1=O 1872753318 RDCFJDOAFVYYFZ-CGDDYCGFSA-N 468.582 6.008 50 10 JKGE COc1ccc(OCCC/C(O)=C(\C#N)c2nc(-c3ccc(Oc4ccccc4)cc3)cs2)cc1 1872753952 VWJHWXDMLYMCIY-RFBIWTDZSA-N 484.577 7.263 50 10 JKGE CCOc1cc(/C=C(\C#N)c2nc(-c3ccc(C(C)(C)C)cc3)cs2)cc(Br)c1O 1872792074 CWNJNELAIJVMRS-LICLKQGHSA-N 483.431 7.039 50 10 JKGE N#C/C(=C\c1cc2c(cc1[N+](=O)[O-])OCCO2)c1nc(-c2ccc(Oc3ccccc3)cc2)cs1 1872793351 VWIRNXLUNPYBEV-XDHOZWIPSA-N 483.505 6.346 50 10 JKGE Cc1ccc(C(C)(C)C)cc1-c1csc(/C(C#N)=C/c2ccccc2OCc2ccc(Cl)cc2)n1 1872794086 JNCJUDXLVSTFBJ-HZHRSRAPSA-N 499.079 8.713 50 10 JKGE CCCOc1ccc(-c2csc(/C(C#N)=C(O)/C=C/c3ccc([N+](=O)[O-])cc3)n2)cc1OCCC 1872818215 SHLUHYOXSBZURJ-DBOIZRAYSA-N 491.569 6.802 50 10 JKGE CCc1cccc(CC)c1N1C[C@H](/C(O)=C(\C#N)c2nc(-c3cc(C)ccc3OC)cs2)CC1=O 1873920293 CEGVSSZYHJYHSC-OLUGBCFNSA-N 487.625 6.098 50 10 JKGE FC(F)(F)[C@@H]1OC2([C@@H](Br)c3sc(Br)cc3Br)CC1C2 1878414382 DKQOHONHYVRQQH-IGALMGLPSA-N 484.957 5.819 50 10 JKGE CC1(C)C[C@]1(Cl)[C@H](Br)c1cc(Br)ccc1OCc1ccccc1 1899856411 HZQBCYYOPVHMNX-MJGOQNOKSA-N 458.621 6.872 50 10 JKGE Clc1cc(CN(CCCBr)Cc2ccccc2)ccc1I 1907285231 JITGKJXMVJLVDS-UHFFFAOYSA-N 478.599 5.732 50 10 JKGE C[C@@H](CBr)N(Cc1ccccc1)Cc1ccc(I)c(Cl)c1 1907288021 WBMQNFQVNVMJFV-ZDUSSCGKSA-N 478.599 5.730 50 10 JKGE Cc1cc(Br)c([C@@H](Br)[C@@]23CC[C@@H](C2)[C@@H](C)O3)cc1Br 1908098216 XEIGCPLABGHVHV-ANGCBRKESA-N 453.012 5.914 50 10 JKGE Cc1nsc(Br)c1[C@H](Br)c1cc2c(cc1Br)OCCO2 1912983019 UIKYEHGHJYMNRP-GFCCVEGCSA-N 484.007 5.232 50 10 JKGE CC(C)[C@@H](CBr)N(Cc1ccccc1)C(=O)c1ccc(I)cc1 1915290073 ZULXKZYLZAUCKO-GOSISDBHSA-N 486.191 5.353 50 10 JKGE Fc1cc([C@H](Br)c2sc(Br)cc2Br)c(F)c(F)c1F 1922905546 ABSIYXQVCJJLIA-ZETCQYMHSA-N 482.916 6.314 50 10 JKGE Cc1c(Br)sc([C@@H](Br)C(C)(C)CC(F)(F)F)c1Br 1922929860 MLFJQRICTVJHKV-MRVPVSSYSA-N 472.990 6.996 50 10 JKGE Cc1c(Br)sc([C@@H](Br)[C@H]2CCCC2(F)F)c1Br 1922939653 ISCBLVHJBZWFEY-SVRRBLITSA-N 452.984 6.453 50 10 JKGE CC(C)C(C)(C)[C@@H](Br)c1c(Br)sc(Br)c1Cl 1923067335 BCPNSRPOGBLFKQ-QMMMGPOBSA-N 453.465 7.045 50 10 JKGE C[C@H](c1ccncc1Br)[C@@H](Br)c1cccc(Br)c1F 1924038854 HYJPUICBHIVJOO-AMIZOPFISA-N 451.959 5.985 50 10 JKGE CC1(C)[C@@H]([C@H](Cl)c2c(Br)sc(Br)c2Br)C1(F)F 1924568627 JLCBLSZTBOSZJH-PHDIDXHHSA-N 473.402 6.607 50 10 JKGE CC1(C)C(C)(C)C1(C)[C@H](Cl)c1c(Br)sc(Br)c1Br 1924614763 QTXPVYCQXBHDDU-MRVPVSSYSA-N 479.503 7.388 50 10 JKGE CCC[C@H](C(C)C)[C@H](Cl)c1c(Br)sc(Br)c1Br 1924615025 VKTLKXFEPUJZGH-XCBNKYQSSA-N 467.492 7.388 50 10 JKGE Cl[C@H](c1c(Br)sc(Br)c1Br)[C@@H]1C[C@@H]2CCC[C@@H]21 1924615487 BVLXVHPGYZRSBW-DOACCVQLSA-N 463.460 6.752 50 10 JKGE CCCCC1CCC([C@H](Br)c2c(Cl)sc(Br)c2Cl)CC1 1925602147 YVGUKSBFZUINDY-CBINBANVSA-N 463.106 8.250 50 10 JKGE Brc1sc(Br)c([C@@H](Br)[C@@]23CC[C@@H]2C3)c1Br 1935462650 CKPWBIMOBGDRJW-XMRAEQSQSA-N 479.857 6.272 50 10 JKGE CC(C)[C@@H]1C[C@@H]1[C@H](Cl)c1c(Br)sc(Br)c1Br 1992943313 ARFRMYQKLZVOKD-WATHFIQWSA-N 451.449 6.608 50 10 JKGE BrCc1ccc(N2C[C@@H]3[C@H](CCN3Cc3ccccc3)C2)cc1Br 2015063842 AQCSJHGTEXUTLT-YLJYHZDGSA-N 450.218 5.055 50 10 JKGE CO[C@@H]1CCC[C@@H]([C@H](Cl)c2c(Br)sc(Br)c2Br)C1 2062718894 TXWLAOVIZFRHRI-XSSZXYGBSA-N 481.475 6.521 50 10 JKGE C[C@H](Br)C[C@H]1CCCCN1Cc1cccc(Br)c1Br 2092338954 YWLNRKHSRGJZHD-WCQYABFASA-N 454.044 5.740 50 10 JKGE BrC[C@H]1CC2(CCC2)CN1Cc1c(Br)cccc1Br 2095172300 DADYGECVOARKGM-LLVKDONJSA-N 452.028 5.351 50 10 JKGE C[C@@H]1[C@H](n2c(CCl)nc3cc(Cl)c(Br)cc32)CCN1Cc1ccccc1 2112701687 NBADHQRSFNPFTP-FZKQIMNGSA-N 453.211 6.027 50 10 JKGE Clc1cc(Br)ccc1CC[C@@H](Br)c1ccccc1Br 2113444815 PVXOVSSMIPHACA-CQSZACIVSA-N 467.426 6.934 50 10 JKGE CC12CC([C@H](Cl)c3c(Br)sc(Br)c3Br)(C1)C(C)(C)O2 2121886030 QCLGQACLVRYQIM-MWBRBAFOSA-N 493.486 6.663 50 10 JKGE CC[C@@H](C)N(Cc1ccccc1)S(=O)(=O)c1c(CBr)sc2ccccc12 2123248573 XDNIYBVXBKANSA-OAHLLOKOSA-N 452.439 5.786 50 10 JKGE Cc1c(Br)sc([C@H](Br)[C@H]2C[C@H]2C2CCOCC2)c1Br 2135276155 GUIGMJICNUGAQB-JBLDHEPKSA-N 473.068 6.080 50 10 JKGE CC1(C)C[C@H]([C@@H](Br)c2ccc(Br)cc2Br)C(C)(C)O1 2138854422 ZLCXWNRALXJXJF-YPMHNXCESA-N 455.028 6.241 50 10 JKGE Cc1c(Br)ccc([C@H](Br)c2c(F)cccc2Cl)c1Br 2138855775 YAGFBBDCNZMEQR-AWEZNQCLSA-N 471.389 6.797 50 10 JKGE ClC[C@@H](Cc1cccc(Br)c1)Cc1ccc(Br)cc1Br 2148680986 GUWQSOBFTXRFKZ-LBPRGKRZSA-N 481.453 6.614 50 10 JKGE COc1cc(F)c([C@H](Br)c2csc(Br)c2Br)cc1OC 2150344969 XJVHEBNTSLQBFF-NSHDSACASA-N 488.998 5.914 50 10 JKGE FC(F)(F)C1CC(COc2c(Br)cc(Br)cc2CBr)C1 2155378959 BPYNARATWKWKBP-UHFFFAOYSA-N 480.944 6.074 50 10 JKGE FC(F)(F)[C@H]1CN(Cc2ccc(Br)cc2Br)C[C@H]1CBr 2163286049 KDCAVKFTWQVQNO-KOLCDFICSA-N 479.960 5.217 50 10 JKGE CCCCC[C@H]1CC[C@H]([C@@H](Br)c2sc(Br)cc2Br)CC1 2168755911 DNGAKPRBEQRAEP-LALPHHSUSA-N 487.139 8.096 50 10 JKGE Cc1cc(S(=O)(=O)N(Cc2ccccc2)[C@H](C)C(C)(C)C)cc(CBr)c1F 2179860993 AFZZBAMGADNRRC-MRXNPFEDSA-N 456.421 5.655 50 10 JKGE CC(C)NCc1cc(Br)cc(Br)c1OC[C@H]1C[C@@H](Br)C1 2196904220 AHZSHQCKNMKJMN-KLPPZKSPSA-N 470.043 5.262 50 10 JKGE O=C(c1scc(Br)c1Br)N1CC[C@@H]2CC[C@@H](Br)C[C@H]2C1 2204098520 PQFBSZLZVGBCCU-LPEHRKFASA-N 486.067 5.299 50 10 JKGE Fc1ccc(Oc2ccc(Cl)c(Cl)c2Br)c(CBr)c1Cl 2206352803 DRSKEYQIJVSHKD-UHFFFAOYSA-N 463.355 7.236 50 10 JKGE C[C@@H](Cn1c(CCl)nc2cc(Br)c(Br)cc21)N(C)Cc1ccccc1 2218661365 HWFWCEJWZFTCEK-ZDUSSCGKSA-N 485.651 5.821 50 10 JKGE Cc1ccc([C@H](Br)c2ccc(C)c(Br)c2C)cc1I 2224626592 JPMIMIRBGRULJS-INIZCTEOSA-N 494.008 6.463 50 10 JKGE CC1(C)CO[C@@H](C[C@@H](Br)c2cc(Br)c(Br)cc2F)C1 2225633655 KVNIEMVIZFAHGI-WCBMZHEXSA-N 458.991 5.992 50 10 JKGE CCOc1ccc([C@H](Br)c2sc(C)cc2Br)c(Br)c1 2229325030 CKMFRPAXJQRFOC-ZDUSSCGKSA-N 469.036 6.465 50 10 JKGE COc1ccc([C@H](Br)c2cc(C)ccc2I)c(Br)c1 2232221869 HGFQIHLBACCQOC-HNNXBMFYSA-N 495.980 5.855 50 10 JKGE Clc1cc(Br)cc([C@@H](Cl)c2c(Br)cc(Cl)c(Cl)c2Cl)c1 2232508699 AJYIBQFFVAPADC-LLVKDONJSA-N 498.256 8.153 50 10 JKGE CCCN[C@H](c1c(Br)cc(Cl)c(Cl)c1Cl)[C@H]1C[C@@H](Br)C1 2232525879 FHLWZFSVJSAPNU-GIHMMQTOSA-N 464.456 6.624 50 10 JKGE COc1cc(Br)c([C@@H](Cl)c2ccc(I)c(Cl)c2)cc1C 2236015645 XEZVCCMOVYOGRG-HNNXBMFYSA-N 485.974 6.352 50 10 JKGE C[C@](CI)(OCCCCC(F)(F)F)c1ccccc1Br 2238428676 ATACBDVVOAPEFK-CYBMUJFWSA-N 465.091 5.849 50 10 JKGE Cc1sc([C@@H](Br)c2cc(F)cc(Br)c2)c(Br)c1C 2253506745 ZLSBIGVWBSZMSK-LBPRGKRZSA-N 457.000 6.513 50 10 JKGE Cc1cccc([C@H](Cl)c2sc(C)c(C)c2Br)c1I 2253511107 CDSZWMHAEIYYTK-LBPRGKRZSA-N 455.586 6.369 50 10 JKGE Clc1cc(Br)c([C@H](Br)c2cc(Br)co2)c(Cl)c1Cl 2258149515 WOALODOAHYCQGT-SECBINFHSA-N 498.223 7.249 50 10 JKGE COc1ccc([C@@H](Cl)c2cccc(I)c2)c(Br)c1Cl 2268259899 OHZMLANCDQRMRJ-ZDUSSCGKSA-N 471.947 6.044 50 10 JKGE COCc1ncc2nc([C@H](C)Cl)n(CCCN(Cc3ccccc3)Cc3ccccc3)c2n1 2271082505 OMOKZULWVVHQER-FQEVSTJZSA-N 464.013 5.365 50 10 JKGE CCc1occc1[C@@H](Br)c1c(F)cc(Br)c(F)c1Br 2272726473 OMTKBXNVQIPEFO-LLVKDONJSA-N 458.922 6.130 50 10 JKGE Cc1cc(Br)c([C@@H](Br)c2cc(Cl)c(Cl)cc2C)cc1Cl 2279060445 UQNHADJTOADEIX-HNNXBMFYSA-N 457.420 7.510 50 10 JKGE COc1cc(Cl)c(Cl)cc1[C@@H](Br)c1cccc(Cl)c1Br 2283192800 BJQNSIMFZHMIKO-ZDUSSCGKSA-N 459.392 6.902 50 10 JKGE COc1c([C@@H](Br)c2cc(Br)sn2)cc(Br)c2c1CCC2 2284594583 XLVNVJSKIXRAAJ-CYBMUJFWSA-N 482.035 5.650 50 10 JKGE C[C@@H]1CC([C@@H](Br)c2c(F)cc(Br)c(F)c2Br)C[C@@H](C)O1 2288497899 ZHZRZPCUILCNAB-NQYJQULFSA-N 476.981 6.129 50 10 JKGE C=C1CC[C@@H](O[Si](C)(C)C(C)(C)C)CC1=CC=C1CCC[C@@]2(C)[C@@H]1CC[C@@H]2[C@H](C)CCCC(C)C 2293797727 DWIUSINKAVTSCC-GFKADEAWSA-N 498.912 10.649 50 10 JKGE FC1(F)CC[C@@]2(C1)[C@@H](Oc1c(Br)cccc1Br)C[C@H]2Br 2295113580 BXLPMJCNUGNMOU-MDZLAQPJSA-N 474.965 5.932 50 10 JKGE COc1cccc(-c2csc(C(C#N)=Cc3ccc(OCC(=O)c4cccc([N+](=O)[O-])c4)cc3)n2)c1 2296801561 QWOKBZQERRTOPZ-UHFFFAOYSA-N 497.532 6.053 50 10 JKGE N#CC(=Cc1ccc(I)cc1)c1nc(-c2ccc(Cl)cc2Cl)cs1 2297321312 VZLUBOPPKDASEX-UHFFFAOYSA-N 483.161 6.786 50 10 JKGE Clc1ccc([C@H](Br)c2cc(Br)ccc2OCc2ccccc2)cc1 2299534930 JKDZPMQADJHRTN-FQEVSTJZSA-N 466.600 7.166 50 10 JKGE O=C(N[C@@H](CCBr)COCc1ccccc1)c1c(Cl)cccc1Br 2303545789 WWXVQROPAMAOPD-AWEZNQCLSA-N 475.608 5.203 50 10 JKGE Cc1ccc(C(=O)Oc2cccc(C=C(C#N)C(=O)Nc3cc(Cl)ccc3Cl)c2)cc1 2313631097 KNLFXKWDWVZJFH-UHFFFAOYSA-N 451.309 6.067 50 10 JKGE N#CC(=Cc1cn(Cc2ccccc2Cl)c2ccccc12)C(=O)NCc1ccc2c(c1)OCO2 2313676876 SHFODQOXZWWSCJ-UHFFFAOYSA-N 469.928 5.295 50 10 JKGE FC1(F)CCOC[C@H]1[C@H](Br)c1ccc(OCc2ccccc2)cc1Br 2314499617 DXIFHEVTHMVFJA-FUHWJXTLSA-N 476.155 6.136 50 10 JKGE CC1=C(C#N)C(=O)N(CC(C)C)C(=O)C1=Cc1cn(-c2ccccc2)nc1-c1ccc2c(c1)C[C@@H](C)O2 2314610838 MWPAUWBUCRMVJE-LJQANCHMSA-N 492.579 5.111 50 10 JKGE COc1cccc(-c2nn(-c3ccccc3)cc2C=C2C(=O)N(C3CCCCC3)C(=O)C(C#N)=C2C)c1 2314617003 OTGSAAXZJPSTCV-UHFFFAOYSA-N 492.579 5.473 50 10 JKGE COC(=O)c1c(NC(=O)C(C#N)=Cc2ccc(OC)cc2)sc(C)c1-c1cccc(Cl)c1 2314777354 AJXWOXUUBVELMA-UHFFFAOYSA-N 466.946 5.718 50 10 JKGE ClCc1nc(Oc2cc(Br)cc(I)c2)ccc1Cl 2316719939 KBPORXIAWZJWTD-UHFFFAOYSA-N 458.908 5.633 50 10 JKGE CC(C)(C)OC(=O)N1CCC[C@](CI)(OCC[C@@H]2CC[C@@H]2C2CC2)C1 2319609069 LWXGBVKDTVNFSH-SQGPQFPESA-N 463.400 5.034 50 10 JKGE Cc1cc(C(=O)N[C@H](CCBr)COCc2ccccc2)cc(C)c1Br 2320356967 UMZCYOIUZFLAQD-GOSISDBHSA-N 469.217 5.166 50 10 JKGE CCC(=CC(=O)N[C@@H](C(=O)Nc1ccc(SC#N)cc1)c1ccccc1)c1ccc(OC)cc1 2329551740 MQEADCOJIBSXRE-AREMUKBSSA-N 471.582 5.558 50 10 JKGE CCc1ccc(-c2csc(C(C#N)=C(O)[C@H]([C@H](C)CC)N3C(=O)c4ccccc4C3=O)n2)cc1 2331245873 CRNIYNCGQUKALY-MWTRTKDXSA-N 471.582 5.876 50 10 JKGE CCc1ccc(-c2csc(C(C#N)=C(O)c3ccc4c(c3)C(=O)N(c3ccc(F)cc3)C4=O)n2)cc1 2331245913 IOKNFHJYHSMAPH-UHFFFAOYSA-N 495.535 6.262 50 10 JKGE COc1ccc(C=C(C(O)=C(C#N)c2nc(-c3ccc4c(c3)OCO4)cs2)c2ccccc2)cc1 2331333837 GYGVSQNOHHDVAD-UHFFFAOYSA-N 480.545 6.581 50 10 JKGE CCN(Cc1ccccc1)c1ccc(C=C(C#N)c2nc(-c3c[nH]c4ccccc34)cs2)cc1 2331461919 VZAPSOBLUQLIIB-UHFFFAOYSA-N 460.606 7.382 50 10 JKGE CCCCCOc1ccc(C=C(C#N)c2nc(-c3cc(OC)c(Cl)cc3OC)cs2)cc1OC 2331471231 YVJFNRVUSAVHOS-UHFFFAOYSA-N 499.032 7.122 50 10 JKGE N#CC(=Cc1ccccc1OCc1ccccc1Cl)c1nc(-c2ccc(Cl)s2)cs1 2331485142 VIILOOIUKIAGBS-UHFFFAOYSA-N 469.418 7.822 50 10 JKGE Clc1ccc(CC2(CBr)CC3(CCCC3)C2)cc1I 2337224500 ZTLCPUFGONDLTR-UHFFFAOYSA-N 453.589 6.223 50 10 JKGE COc1c(Br)cc(C)c([C@@H](Br)CCC(F)(F)F)c1Br 2339650126 BZUNGCXSHRUNCD-ZETCQYMHSA-N 468.933 6.307 50 10 JKGE COc1cscc1[C@H](Br)c1c(C)cc(Br)c(F)c1Br 2339652924 DNJXTWNWLGFUIS-NSHDSACASA-N 472.999 6.214 50 10 JKGE CCOC1CC([C@H](Br)c2c(C)cc(Br)c(F)c2Br)C1 2339653038 FIQWCZQKDYICJV-KWPJZBAWSA-N 458.991 5.910 50 10 JKGE C[C@@H]1CCC[C@@](CBr)(OCc2ccc(Cl)cc2I)C1 2340110174 MSNRKHJRYGMPMM-IAQYHMDHSA-N 457.577 5.805 50 10 JKGE Fc1c(Br)cc(Cl)c([C@@H](Cl)C[C@@H]2C[C@H]2C(F)(F)F)c1Br 2362251093 IGKVUISRDUMNQT-BFHQHQDPSA-N 458.902 6.873 50 10 JKGE Cc1cc(Br)c(F)c(Br)c1[C@@H](Cl)c1ccc(F)c(Br)c1 2365224261 WMQRCKUKCDPMRC-ZDUSSCGKSA-N 489.379 6.889 50 10 JKGE BrC[C@@H](COCc1c(Br)cccc1Br)c1ccccc1 2366163841 QKAJKKFPFMYZSZ-ZDUSSCGKSA-N 463.007 5.907 50 10 JKGE C[C@@H]1CC[C@H](C(C)(C)Cc2ccc(I)c(Br)c2)[C@H](Cl)C1 2377295464 SRYAZVYYEIRUPK-OSAQELSMSA-N 469.632 6.666 50 10 JKGE Cc1cc(Br)c(C(C)C)cc1[C@@H](Br)c1cc(C)c(Br)o1 2380945547 XLWNXOBTJYTAQP-OAHLLOKOSA-N 465.023 7.029 50 10 JKGE N#CC1=C(N)Oc2[nH]nc(-c3ccc(Cl)c(Cl)c3)c2[C@H]1c1cccc(C(F)(F)F)c1 27548077 XEUIEZODKGSYKB-HNNXBMFYSA-N 451.235 5.620 50 10 JKGE N#C/C(=C/c1ccc(OC(=O)c2ccc(S(=O)(=O)N3CCCC3)cc2)cc1)c1ccc(Cl)cc1 31901270 KIASFJVFPPOGDR-XLNRJJMWSA-N 492.984 5.408 50 10 JKGE CCOC(=O)/C(C#N)=C/c1cn(-c2ccccc2)nc1-c1ccc(OCc2ccc(C)cc2)cc1 33375103 GNBCJVGZJQXWMD-JJIBRWJFSA-N 463.537 5.897 50 10 JKGE N#C/C(=C/c1ccc(OCc2ccccc2)cc1)c1nc(-c2ccc(Cl)cc2Cl)cs1 33398768 OTNZWAUSXKBRNR-UNOMPAQXSA-N 463.389 7.760 50 10 JKGE COc1cc(/C=C(/C#N)c2nc3ccccc3[nH]2)ccc1OC(=O)c1ccc(Br)s1 33690428 SYEFNXPAAPWMQP-UVTDQMKNSA-N 480.343 5.679 50 10 JKGE Cc1ccc(NC(=O)/C(C#N)=C2/S[C@H](Cc3ccc(Cl)cc3)C(=O)N2c2ccccc2)cc1 33719534 GMIAEOOYPGAMPI-QPQMVVSWSA-N 473.985 5.713 50 10 JKGE CCOc1ccccc1C(=O)Oc1ccc2c(c1)OC(N)=C(C#N)[C@@H]2c1ccc(Br)cc1 38651799 NIUIDJYITXBLTM-HSZRJFAPSA-N 491.341 5.285 50 10 JKGE CSc1ccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4oc5ccc(F)cc5c4C)ccc32)cc1 38700726 BQBDYBSWNFQXIH-XMMPIXPASA-N 486.524 6.040 50 10 JKGE N#C/C(=C\c1ccc(-c2cccc(C(F)(F)F)c2)o1)c1nc(-c2ccc([N+](=O)[O-])cc2)cs1 39885082 ROMDGBOJNPOHST-LFIBNONCSA-N 467.428 7.061 50 10 JKGE N#C/C(=C/c1ccccc1OCc1ccc(Cl)c(Cl)c1)C(=O)Nc1cccc(C(F)(F)F)c1 59224735 SQUMEDQVIBDHBZ-BOPFTXTBSA-N 491.296 7.137 50 10 JKGE Cc1ccc(C)n1-c1ccc(Cl)c(C(=O)N/N=C/c2cc(Br)c(N3CCCC3)o2)c1 59248415 RWBHLUOTQHXWCL-DHRITJCHSA-N 489.801 5.467 50 10 JKGE COC(=O)c1cccc(-c2ccc(/C=N/NC(=O)c3cc4cc(Br)ccc4o3)o2)c1C 59303567 NZGMPLKINKNCEZ-BRJLIKDPSA-N 481.302 5.314 50 10 JKGE CCOC(=O)c1c(-n2c(C)cc(/C=C(\C#N)C(=O)Nc3ccc(C)cc3)c2C)sc(C)c1C 59335440 CPWOBBRSACPSJZ-FYJGNVAPSA-N 461.587 5.803 50 10 JKGE O=C(N/N=C/c1c(Oc2ccc(C(F)(F)F)cc2[N+](=O)[O-])ccc2ccccc12)c1ccc(F)cc1 59463008 AQGSJCPTOMUKJR-AMVVHIIESA-N 497.404 6.462 50 10 JKGE CC(C)OC(=O)c1ccsc1NC(=O)/C(C#N)=C\c1cn(-c2ccccc2)nc1-c1ccccc1 96438742 CSYDGEAIFIAOSA-HKWRFOASSA-N 482.565 5.712 50 10 JKGE COc1cc(/C=C(/C#N)C(=O)Nc2cc(C(F)(F)F)ccc2Cl)ccc1OC(=O)c1ccco1 96438808 YZZAUGYJZVVEDX-ZROIWOOFSA-N 490.821 5.725 50 10 JKGE Cc1cc(/C=C(C#N)\C(O)=N\c2cc(C(F)(F)F)ccc2Cl)c(C)n1-c1cccc(Cl)c1 96586000 ZMCGVQDEFYEGMB-SXGWCWSVSA-N 478.301 7.615 50 10 JKGE CC(C)(C)[C@@H](N=P(c1ccccc1)(c1ccccc1)c1ccccc1)n1nnc2ccccc21 100001055 MQDMVUCIQOYINR-NDEPHWFRSA-N 464.553 6.154 50 10 JKGE CCCCCCCCOc1ccc(/C=C2/C(=O)N(CCCCC)C(=O)C(C#N)=C2C)cc1OC 101333433 OOXWHCCLLSRLNX-PTGBLXJZSA-N 466.622 6.217 50 10 JKGE COc1cc(/C=C2/C(=O)N([C@@H](C)c3ccccc3)C(=O)C(C#N)=C2C)ccc1OCc1ccc(F)cc1 101337977 YEHVCCACGOQTKA-RASHHNMQSA-N 496.538 5.767 50 10 JKGE COc1ccc(Oc2nc3c(C)cccn3c(=O)c2/C=C(/C#N)c2nc3ccccc3s2)cc1 102847576 BCHWADCOWIKLGB-VKAVYKQESA-N 466.522 5.478 50 10 JKGE CCCOc1ccc(-c2nn(-c3ccccc3)cc2/C=C(\C#N)C(=O)N[C@@H](C)c2ccccc2)cc1C 102860509 SBFQQMZOTFKDDI-GJFYNSNLSA-N 490.607 6.421 50 10 JKGE O=[N+]([O-])c1cccc(/N=N/N(C[C@H](Br)CBr)c2cccc([N+](=O)[O-])c2)c1 103750214 CJZKVDPHWZYQRM-VFGLMNNVSA-N 487.108 5.167 50 10 JKGE CCO[C@@H]1Oc2ccc([N+](=O)[O-])cc2C(=O)/C1=C/Nc1nc2cc(C)c(SC#N)cc2s1 109882085 HLVZLORZLIHCGB-KRBJHKROSA-N 468.516 5.020 50 10 JKGE Fc1cc(Br)ccc1C[C@H](CBr)c1cccc(Br)c1 118661300 PDSWZCXGGAQTEX-GFCCVEGCSA-N 450.971 6.072 50 10 JKGE COc1ccc(C[C@@H](Br)c2csc(I)c2)cc1OC 124510180 UDKAGVKINMTHJI-LLVKDONJSA-N 453.139 5.049 50 10 JKGE Fc1ccc([C@H](Br)c2cc(Br)ccc2Br)c(F)c1F 127326258 LIMBPXLWBUOCFT-NSHDSACASA-N 458.897 6.113 50 10 JKGE Brc1cc([C@H](Br)c2sccc2Br)sc1Br 128262133 RZCJINXAVQOISD-ZETCQYMHSA-N 495.881 6.581 50 10 JKGE Cc1cc(Br)c([C@@H](Cl)c2cc(Br)ccc2F)cc1Br 128707924 BUUMQOPGDUREDJ-CQSZACIVSA-N 471.389 6.750 50 10 JKGE Cc1cc([C@H](Br)c2cc(Br)c(Br)s2)c(C)cc1Cl 128874916 GECRXLYOFWRUGR-LBPRGKRZSA-N 473.455 7.028 50 10 JKGE Cc1cc([C@@H](Br)c2ccc(Br)c(Cl)c2)c(C)cc1Br 148979107 YESPPPDRWSHGPZ-HNNXBMFYSA-N 467.426 6.966 50 10 JKGE Cc1ccc([C@H](Br)c2ccc(Br)c3ccccc23)c(Br)c1 161447128 HUVWQBPDHDAWGC-GOSISDBHSA-N 469.014 7.158 50 10 JKGE Clc1ccc([C@H](Cl)c2cc(I)cc3c2OCC3)cc1Br 312334510 JQYIUYSSYXNUFF-AWEZNQCLSA-N 483.958 5.970 50 10 JKGE Cc1ccc(Br)cc1C[C@@H](CBr)Cc1ccccc1Br 313717096 SIKAWKTVPMDEGA-ZDUSSCGKSA-N 461.035 6.316 50 10 JKGE CCOc1ccc([C@@H](Br)c2nscc2Br)cc1Br 404791791 FRFWOGLQJHERMW-LLVKDONJSA-N 455.997 5.551 50 10 JKGE CC(C)(C)OC(=O)NCCN1CCOC[C@@H](c2ccccc2CCO[Si](C)(C)C(C)(C)C)C1 616664367 QVGIGDREZVAJMR-QFIPXVFZSA-N 478.750 5.191 50 10 JKGE BrCc1cc(Br)ccc1N1C[C@@H]2CC[C@H](C1)N2Cc1ccccc1 687237405 YAKKGHHNPRRMGR-KDURUIRLSA-N 450.218 5.197 50 10 JKGE Brc1csc([C@@H](Br)c2ccc3c(c2)CCO3)c1Br 705422195 ACWXXHJDKRJRKK-NSHDSACASA-N 452.993 5.692 50 10 JKGE CC[C@H](C[C@@H](Br)c1cc(I)cc2c1OCC2)C(C)(C)C 711141240 GZVZYGQIRXNXGT-IUODEOHRSA-N 451.186 6.125 50 10 JKGE BrCc1cc(Br)ccc1N1CCCc2cccc(Br)c21 713309190 SYAGGZXEAUKDQZ-UHFFFAOYSA-N 460.007 6.191 50 10 JKGE Cc1sc([C@H](Br)c2csc(I)c2)c(C)c1Br 724909359 NFKYFDANCXTPMR-SNVBAGLBSA-N 492.039 6.278 50 10 JKGE C[C@@H](Sc1ccc(Cl)cc1)C(=O)NN=Cc1ccc(OCc2ccc([N+](=O)[O-])cc2)cc1 1083890388 BYYPURLXRBANSS-MRXNPFEDSA-N 469.950 5.458 50 10 JKGE COc1ccc(/C=C(/C#N)C(=O)Nc2cc(Cl)ccc2Cl)cc1OCc1ccc(Cl)cc1 1084023665 ZXSKVHPTXKFBBZ-YVLHZVERSA-N 487.770 6.780 50 10 JKGE Cc1c(C(=O)Oc2ccc(Cl)cc2Cl)oc2c1C(=NNC(=O)COc1ccccc1)CCC2 1772749820 PPZXCJACBIDNIZ-UHFFFAOYSA-N 487.339 5.350 50 10 JKGE CCCCc1ccc(NC(=O)c2oc3c(c2C)C(=NNC(=O)c2ccc4ccccc4n2)CCC3)cc1 1772750897 BTTYERUURBWXRP-UHFFFAOYSA-N 494.595 6.202 50 10 JKGE COc1cc(-c2nc3ccc(C(=O)Nc4ccc(SC#N)cc4)cc3[nH]2)ccc1OCC(C)C 1861859961 CXIBGGFKIHAZQD-UHFFFAOYSA-N 472.570 6.099 50 10 JKGE COc1ccc(-c2nn(CC(C)C)c3c2[C@H](c2cccc4ccccc24)C(C#N)=C(N)O3)cc1 1865682585 RYGBTUIJJKAHNP-XMMPIXPASA-N 450.542 5.586 50 10 JKGE COc1ccc(-n2nc(C(F)(F)F)c3c2OC(N)=C(C#N)[C@@H]3c2ccc(Cl)cc2Cl)cc1 1865685678 LULUBTZDBNGKSJ-INIZCTEOSA-N 481.261 5.425 50 10 JKGE CCCOc1ccc([C@@H]2C(C#N)=C(N)Oc3c2c(CC)nn3-c2ccccc2Cl)cc1OCC 1865690776 AXTQKUIOWGWAKL-HSZRJFAPSA-N 478.980 5.494 50 10 JKGE CCc1nn(-c2ccc(C)cc2)c2c1[C@H](c1cccc(OCc3ccccc3)c1)C(C#N)=C(N)O2 1865711540 AYOOBWJKXNYFGO-AREMUKBSSA-N 462.553 5.540 50 10 JKGE COc1cccc([C@@H]2C(C#N)=C(N)Oc3c2c(-c2ccccc2)nn3-c2ccc(Cl)c(Cl)c2)c1 1865711822 ISHSGXGBEYJUSG-JOCHJYFZSA-N 489.362 6.073 50 10 JKGE CC(C)(C)c1cc(Br)c(OCCCC(=O)NCCCl)c(Br)c1 1865938324 RIZMLALUSIZHOY-UHFFFAOYSA-N 455.618 5.023 50 10 JKGE COC(=O)c1c(NC(=O)/C(C#N)=C/c2ccc(F)cc2)sc(C)c1-c1ccc(Br)cc1 1866128029 SRQOQCJYMTYBMU-LFIBNONCSA-N 499.361 5.957 50 10 JKGE CCCN(CCC)c1cccc(C(=O)N[C@H](C(=O)Nc2ccc(SC#N)cc2)c2ccccc2)n1 1866599683 DOCWRWMPSPTFAE-VWLOTQADSA-N 487.629 5.391 50 10 JKGE COc1cc(/C=C(\C#N)c2nc3ccccc3n2C)ccc1OC(=O)c1ccc(Cl)cc1Cl 1872726749 FNRFXSIOGLMILQ-LFIBNONCSA-N 478.335 6.172 50 10 JKGE COc1cccc(-c2csc(/C(C#N)=C(\O)[C@H]3CC(=O)N(c4cc(Cl)ccc4OC)C3)n2)c1 1872744032 FBLNAKAPOOFHQP-ACNSNUFOSA-N 481.961 5.326 50 10 JKGE CCc1ccc(-c2csc(/C(C#N)=C(\O)[C@@H]3CC(=O)N(c4c(CC)cccc4CC)C3)n2)cc1 1872744409 QJUQJAMPMVZIES-SZWCJKGDSA-N 471.626 6.343 50 10 JKGE CCCCOc1ccc(/C(O)=C(\C#N)c2nc(-c3ccc4c(c3)CCCC4)cs2)cc1OCC 1872745597 VBLQVRBBKLUDFT-VYIQYICTSA-N 474.626 7.216 50 10 JKGE N#C/C(=C(/O)CCN1C(=O)c2ccccc2C1=O)c1nc(-c2cccc(Br)c2)cs1 1872745732 AKAZHMOLQOVBPF-ZPHPHTNESA-N 480.343 5.052 50 10 JKGE CCOC(=O)c1ccc(N2C[C@H](/C(O)=C(\C#N)c3nc(-c4ccccc4Cl)cs3)CC2=O)cc1 1872746508 LFLRTDLTNADXGZ-LTUQMTLXSA-N 493.972 5.486 50 10 JKGE CCc1ccccc1OC/C(O)=C(\C#N)c1nc(-c2cc(Cl)cc(Cl)c2OC)cs1 1872754236 JMXXPKSCDLTOOO-MNDPQUGUSA-N 461.370 6.560 50 10 JKGE COc1cc(Cl)c(C)cc1-c1csc(/C(C#N)=C(O)/C=C/c2ccc(C(C)C)cc2)n1 1872757045 ODYZDMVSRGNYOE-NSSPVPIHSA-N 450.991 7.410 50 10 JKGE COc1ccc(-c2csc(/C(C#N)=C(\O)COc3cc(Cl)ccc3Cl)n2)c2ccccc12 1872758568 GWBWWPZXEGXKFG-UZYVYHOESA-N 483.376 7.150 50 10 JKGE COc1cc(/C=C(\C#N)c2nc(-c3c(C)cc(C)cc3C)cs2)ccc1OCCN1CCOCC1 1872794181 NPYCLIXEWLHKIE-HZHRSRAPSA-N 489.641 5.519 50 10 JKGE O=S(=O)(c1cc(Cl)cc(CBr)c1F)N(Cc1ccccc1)Cc1ccccc1 1885383617 YDHAGUASLAJEFQ-UHFFFAOYSA-N 482.802 5.765 50 10 JKGE CC(C)(SC[C@@H]1C[C@@H]1Cl)[C@@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)O 1893108437 SHKJYOZSEOWWHY-WVFSVQOHSA-N 459.995 5.117 50 10 JKGE C[C@H](CCCl)N(Cc1ccccc1)S(=O)(=O)c1cc(Cl)c(Br)s1 1915113428 JRUNBORLDLOTRE-LLVKDONJSA-N 457.242 5.372 50 10 JKGE Cc1sc(Br)cc1S(=O)(=O)N(Cc1ccccc1)[C@@H](CBr)C(C)C 1915296817 YSHDRFQBBCWCOM-HNNXBMFYSA-N 495.302 5.429 50 10 JKGE Clc1c(Br)sc(Br)c1[C@@H](Cl)c1ccccc1Br 1923055215 QMJZUYRBIPXXAQ-QMMMGPOBSA-N 479.846 7.017 50 10 JKGE C[C@@H]1COC[C@@H]1[C@H](Br)c1c(Br)sc(Br)c1Cl 1923055600 WDQQXSUNJPUTCK-ZDLURKLDSA-N 453.421 5.645 50 10 JKGE CC[C@@H](C(C)C)[C@@H](Br)c1c(Br)sc(Br)c1Br 1924613371 IHPKKPFEMOCSJC-POYBYMJQSA-N 497.916 7.154 50 10 JKGE Brc1cc([C@@H](Br)c2csnc2Br)cc2c1OCC2 1925269976 JKPRZDODTWCHND-SNVBAGLBSA-N 453.981 5.087 50 10 JKGE Brc1ccc(Br)c([C@@H](Br)c2sncc2Br)c1 1936358824 YYDWHZBJCQOBLA-SECBINFHSA-N 490.840 5.915 50 10 JKGE COC1([C@@H](Cl)c2c(Br)sc(Br)c2Br)CCC1 1979933854 IIOIRUYEVDJYBY-ZETCQYMHSA-N 453.421 5.885 50 10 JKGE C[C@H]([C@@H](Cl)c1c(Br)sc(Br)c1Br)C(F)(F)F 1984582799 DNGOHPTVNRRPDI-DUZGATOHSA-N 465.354 6.514 50 10 JKGE BrCc1ccc(N2CC3(CC(OCc4ccccc4)C3)C2)c(Br)c1 2000819213 ZXXNHMBLYXHCFC-UHFFFAOYSA-N 451.202 5.530 50 10 JKGE CN(C[C@H](Br)COCc1ccccc1)C(=O)c1c(Cl)cccc1Br 2003558655 YAPULBPCVHSRTD-AWEZNQCLSA-N 475.608 5.155 50 10 JKGE Cc1cc(Br)c([C@@H](Cl)c2cc(Br)cs2)cc1Br 2004901621 BEZQSGJGETYUQE-GFCCVEGCSA-N 459.428 6.672 50 10 JKGE CS(=O)(=O)c1sccc1[C@H](Cl)c1cc(Br)c(Br)s1 2033137822 XPVZQOQASFEOIO-QMMMGPOBSA-N 450.626 5.066 50 10 JKGE CCn1cc(Br)c([C@@H](Cl)c2sc(Br)c(C)c2Br)n1 2060857045 YQLIIRVMDAWMIU-MRVPVSSYSA-N 477.447 5.889 50 10 JKGE Clc1c(Br)sc(Br)c1[C@H](Br)C1C[C@@H]2CC[C@H](C1)O2 2060983515 VTFLXSMSPZADIL-YVPPNDTHSA-N 479.459 6.320 50 10 JKGE COc1sccc1[C@@H](Br)c1ccc(Br)c(C)c1Br 2083330563 QAMILTJXRAMYIX-LBPRGKRZSA-N 455.009 6.074 50 10 JKGE Fc1c(Cl)cccc1C[C@H](Br)c1cccc(Br)c1Br 2113468949 UASOOEGTUPZYFQ-NSHDSACASA-N 471.389 6.683 50 10 JKGE Cc1cc(Br)c(C)c([C@H](Cl)c2c(C)nsc2Br)c1Br 2136368196 VLAKNHQYEQWYBM-LBPRGKRZSA-N 488.470 6.684 50 10 JKGE CCC[C@H](C(C)C)[C@H](Br)c1c(C)c(Br)cc(C)c1Br 2136372193 XDLDPQRSGDUCMU-WBMJQRKESA-N 455.072 7.337 50 10 JKGE Cc1csc([C@H](Br)c2c(Br)cc(F)c(Cl)c2F)c1Cl 2136967560 VUPSRLSCRIWHCL-MRVPVSSYSA-N 450.957 6.888 50 10 JKGE COc1c(Br)cc(C)cc1[C@@H](Br)c1scc(C)c1Br 2139017440 UGWUKRQAGARUFT-GFCCVEGCSA-N 469.036 6.383 50 10 JKGE COC[C@]12C[C@]([C@H](Br)c3c(Br)sc(Br)c3Cl)(CO1)C2 2141163508 IOXPUNSMBKDJKB-GGZOMVNGSA-N 495.458 5.558 50 10 JKGE COc1ccccc1C[C@H](Cl)c1ccc(Br)cc1I 2142278765 HQEIDRFDQKLWBB-ZDUSSCGKSA-N 451.529 5.585 50 10 JKGE COc1ccc([C@H](Br)c2ccc(Br)cc2I)c(F)c1 2142286750 HSRWCFPCSLZIOJ-AWEZNQCLSA-N 499.943 5.686 50 10 JKGE Oc1nc2ccc([C@@H](Br)c3c(Br)cccc3Br)cc2[nH]1 2150495560 XTHXDRZDBIWCBC-CYBMUJFWSA-N 460.951 5.278 50 10 JKGE C[C@H](Cl)c1nc2cncc(Br)c2n1[C@H]1CCOC[C@H]1OCc1ccccc1 2151789595 NASKLQJFMHJHIK-DOPJRALCSA-N 450.764 5.040 50 10 JKGE FC(F)(F)Oc1ccc([C@@H](Br)c2sc(Cl)cc2Br)cc1 2154475366 KLVWURPRXYTAEU-SNVBAGLBSA-N 450.501 6.547 50 10 JKGE FC1(F)C[C@]12CCC[C@@H]([C@@H](Br)c1c(Cl)sc(Br)c1Cl)C2 2156116509 LGNWMSZNFZHKHF-SLOVDRIHSA-N 469.016 7.469 50 10 JKGE CC[C@@H](Cl)[C@@H]1CCCCN1C(=O)c1cc(I)ccc1Br 2170613120 BXLCAQYKBDSFFO-KGLIPLIRSA-N 470.576 5.066 50 10 JKGE FC1(F)C2(CCC2)C12CC([C@@H](Br)c1sc(Br)cc1Br)C2 2195137088 RXGGDAZPTTZHSM-OILJVLCYSA-N 491.033 6.925 50 10 JKGE CCCCCc1ccc([C@H](Br)c2c(Br)cccc2Br)s1 2197249456 RGKYNJMHWQYUON-INIZCTEOSA-N 481.091 7.490 50 10 JKGE Cc1cc(Br)c(C)c([C@H](Br)[C@H]2CCCC3(CC3)C2)c1Br 2201061422 FBBJWNQXLUBYJC-BLLLJJGKSA-N 465.067 7.235 50 10 JKGE Cc1cc(Br)c(C)c([C@H](Br)c2cc3cscc3s2)c1Br 2201062272 MLFWFCUBQADVHZ-OAHLLOKOSA-N 495.099 7.589 50 10 JKGE Cc1cc(Br)c(C)c([C@@H](Br)C2(CC3CCC3)CC2)c1Br 2201071405 FGRAKAAEARPYOL-MRXNPFEDSA-N 465.067 7.235 50 10 JKGE COc1c(C)cc(Br)cc1[C@@H](Br)c1cc(C)cc(Br)c1 2206599629 VNOOXQNYCVYPRZ-HNNXBMFYSA-N 463.007 6.321 50 10 JKGE Cl[C@H]1CCCCC[C@@H]1c1sc(Br)c(Br)c1Br 2212200432 MPMUOHDZYSSFSD-BQBZGAKWSA-N 451.449 6.691 50 10 JKGE CC1(C)OC[C@@H](c2sc(Br)c(Br)c2Br)[C@@H]1Cl 2212288493 FQPDVZPEEHFRBS-NVNXEXLPSA-N 453.421 5.535 50 10 JKGE Cc1ccc([C@@H](Cl)c2sc(Cl)cc2Br)cc1I 2213001750 SDKSOXQQXMPHKX-LLVKDONJSA-N 461.977 6.405 50 10 JKGE CC[C@@](C)(CCCC(C)C)O[C@@](C)(CI)CNC(=O)OC(C)(C)C 2213739567 FUVIXMHUBHOLQB-OALUTQOASA-N 455.421 5.716 50 10 JKGE Clc1ccc([C@@H](Br)c2c(Br)cc(Cl)c(Cl)c2Cl)s1 2217617097 CPYQQORDRFUVCL-SECBINFHSA-N 469.840 7.609 50 10 JKGE CC(C)(C)OC(=O)N1CCCC[C@H]1[C@H]1CCCN(CCCCCI)C1 2220218055 SFACSSAIPQQYEZ-ROUUACIJSA-N 464.432 5.093 50 10 JKGE Cc1ccc([C@H](Cl)c2cc(C3CC3)c(Br)s2)cc1I 2224630832 VBPUCRPFHDFTJY-AWEZNQCLSA-N 467.597 6.629 50 10 JKGE CO[C@@H]1CCC[C@H]([C@H](Br)c2cc(Br)c(Br)cc2F)C1 2225616567 GLESBSCOISQEHT-QIBSRJKCSA-N 458.991 5.992 50 10 JKGE COCC1([C@@H](Br)c2cc(Br)c(Br)cc2F)CCCC1 2225618329 WOBDRRVOCILZAT-ZDUSSCGKSA-N 458.991 5.994 50 10 JKGE Fc1cc(Br)c(Br)cc1[C@@H](Br)c1ccsc1C(F)(F)F 2233974714 GWCCRGFDMYIJRY-JTQLQIEISA-N 496.943 6.915 50 10 JKGE ClCc1nc2cc(Br)c(Br)cc2n1Cc1csc(Br)c1 2234073225 JEIOUJZXBPMSKC-UHFFFAOYSA-N 499.453 6.172 50 10 JKGE COc1cc(Br)c([C@@H](Br)c2cc(Br)c(C)s2)cc1OC 2234476581 YYELHWIUBKLNQS-CQSZACIVSA-N 485.035 6.083 50 10 JKGE Cc1cc(Br)c([C@H](Br)[C@H]2C[C@@H]3CCC[C@@H]3C2)c(C)c1Br 2235608270 IWBSIDNIMKRTOJ-IPJQOSJUSA-N 465.067 7.091 50 10 JKGE COc1cc(F)c([C@@H](Br)c2sc(C)c(C)c2Br)cc1Br 2237631984 RCGKVFUNHRNUTJ-CYBMUJFWSA-N 487.026 6.522 50 10 JKGE CC(C)(C)OC(=O)N1CCC[C@](CI)(OCC[C@H]2CCCC23CC3)C1 2255319775 ICKHGYBCMWKBFN-OXQOHEQNSA-N 463.400 5.178 50 10 JKGE Fc1cc([C@@H](Cl)c2sc(Br)cc2Br)c(Cl)cc1Br 2255967393 FLYPQEHKMCUONN-SNVBAGLBSA-N 497.836 7.156 50 10 JKGE COc1sc([C@H](Br)c2cccc(Cl)c2Br)cc1Br 2256136724 LSTHFEYUCVKPMU-LLVKDONJSA-N 475.427 6.419 50 10 JKGE Clc1ccc([C@@H](Cl)Cc2ccc(Br)cc2)cc1I 2256366416 HZJDEMQOUABQHK-ZDUSSCGKSA-N 455.948 6.230 50 10 JKGE Cc1cc(F)c(Br)cc1C(=O)N(Cc1ccccc1)[C@H](CBr)C(C)C 2258017762 XEXMEADZXCGYLP-LJQANCHMSA-N 471.208 5.959 50 10 JKGE COc1ccsc1[C@@H](Br)Cc1cc(Br)cc(Br)c1 2263515398 NUBHHLGYQBDVSW-NSHDSACASA-N 455.009 5.960 50 10 JKGE CCN(C[C@@](C)(CI)OC[C@H]1CC(F)(F)C12CCC2)C(=O)OC(C)(C)C 2266112529 NCMLJDVSGWDUEV-RHSMWYFYSA-N 487.369 5.279 50 10 JKGE FC1(F)CC[C@]2(C1)[C@@H](Br)C[C@H]2Oc1c(Br)cccc1Br 2295113579 BXLPMJCNUGNMOU-LOWVWBTDSA-N 474.965 5.932 50 10 JKGE N#CC(=CNc1cccc([N+](=O)[O-])c1)c1nc(-c2cc3cc(Br)ccc3oc2=O)cs1 2295891417 YUBHHUGNIWSYSS-UHFFFAOYSA-N 495.314 5.564 50 10 JKGE CC(C)c1ccc(NC=C(C#N)c2nc(-c3cc4cc(Br)ccc4oc3=O)cs2)cc1 2295894356 RFDNKVWRRNSFFP-UHFFFAOYSA-N 492.398 6.779 50 10 JKGE CC(C=NNC(=O)CSc1nnc(-c2ccccc2)n1-c1ccc(C)cc1)=Cc1ccco1 2296679467 PUXQXZIXHGFIIU-UHFFFAOYSA-N 457.559 5.133 50 10 JKGE CCOc1ccc(C=C2CCC[C@H]3C2=NN(C(=O)CCl)[C@@H]3c2ccc(OCC)cc2)cc1 2296809640 KOZISSCPCOFRQW-JYFHCDHNSA-N 452.982 5.846 50 10 JKGE O=CNC(=C(Cl)SCc1ccccc1)[P+](c1ccccc1)(c1ccccc1)c1ccccc1 2297731006 KJQPGENMCOOJFG-UHFFFAOYSA-O 489.000 6.025 50 10 JKGE CC(C)(F)[C@@](C)(F)[C@H](Br)c1ccc(OCc2ccccc2)cc1Br 2299488657 IQXQKBASAXPUAL-MJGOQNOKSA-N 462.172 6.940 50 10 JKGE Cc1ccc(COc2ccc(Cl)cc2C=C(C#N)C(=O)Nc2cccc(C(F)(F)F)c2)cc1 2313675749 NMLWVTDUBXASTI-UHFFFAOYSA-N 470.878 6.792 50 10 JKGE C[C@@H]1O[C@H](C)[C@H]([C@H](Br)c2cc(Br)ccc2OCc2ccccc2)[C@@H]1C 2314491574 RKIXOEGNENQYQH-JQGYYDNOSA-N 468.229 6.524 50 10 JKGE CCCc1sc(Br)cc1[C@@H](Cl)c1cc(Br)c(Br)s1 2316179106 XEIZDFJZOUKCDK-LLVKDONJSA-N 493.511 7.378 50 10 JKGE CSc1ccc(Cl)cc1CC(=O)NN=Cc1cccc(OCc2ccc(Cl)cc2)c1 2323683606 NRMCLZRMJKXJAL-UHFFFAOYSA-N 459.398 5.987 50 10 JKGE Cc1ccc(C)c(NC=C(C#N)C(=O)N2CCN(C(c3ccccc3)c3ccccc3)CC2)c1 2324608466 VUMGWNJOXSZKDD-UHFFFAOYSA-N 450.586 5.057 50 10 JKGE CCOc1cc(C=C(C#N)c2nc3ccc(C)cc3[nH]2)ccc1OCc1c(Cl)cccc1Cl 2331018301 JEFHESVSOOAFBV-UHFFFAOYSA-N 478.379 7.220 50 10 JKGE COc1cccc(C=C(C#N)n2cnc3ccccc32)c1OCc1c(Cl)cccc1Cl 2331032806 IKDXOXKFEHEKFV-UHFFFAOYSA-N 450.325 6.452 50 10 JKGE CCCOc1ccc(CC(O)=C(C#N)c2nc(-c3ccc(Br)cc3)cs2)cc1 2331259647 HDYKPADRBCJXQE-UHFFFAOYSA-N 455.377 6.397 50 10 JKGE CCCCCCCOc1ccc(-c2csc(C(C#N)=C(O)c3ccc(N(C)C)cc3)n2)cc1 2331345900 IBZGEMSSOHWSHY-UHFFFAOYSA-N 461.631 7.175 50 10 JKGE COc1cc(C)c(-c2csc(C(C#N)=C(O)COc3ccc(C)cc3C(C)(C)C)n2)cc1C(C)C 2331353998 XCEWUJFKVGGOGW-UHFFFAOYSA-N 490.669 7.728 50 10 JKGE CC(C)(C)c1ccc(C=CC(O)=C(C#N)c2nc(-c3cc(Cl)ccc3Cl)cs2)cc1 2331403857 LASBYXZFKIQHFO-UHFFFAOYSA-N 455.410 7.920 50 10 JKGE CCOc1ccc(CCC(O)=C(C#N)c2nc(-c3cc(Cl)ccc3Cl)cs2)cc1OC 2331405481 LTLBTNMMMNDZNA-UHFFFAOYSA-N 475.397 6.950 50 10 JKGE Cn1cc([C@@H](Br)c2c(F)cc(Cl)c(Br)c2Cl)c(Br)n1 2335294470 RANOKJZQNWWFBU-MRVPVSSYSA-N 495.799 5.875 50 10 JKGE CC(C)c1ccc([C@H](Br)c2ccc(OCc3ccccc3)cc2Br)cc1 2336051488 SEBIKSZYDNMTQM-QHCPKHFHSA-N 474.236 7.636 50 10 JKGE CCCc1sc(Br)cc1[C@@H](Br)c1ccc(Br)c(C)c1 2338023742 LAUBXKOFMNTVTR-HNNXBMFYSA-N 467.064 7.018 50 10 JKGE COc1c(Br)cc(C)c([C@H](Br)c2ccsc2Cl)c1Br 2339639921 RVNJNBYVYXMDOX-SNVBAGLBSA-N 489.454 6.728 50 10 JKGE CC(C)(C)[C@@H]1CC[C@@H]1[C@@H](Br)c1cc(Br)c(Br)cc1F 2343222659 RTBKJDPLSJQSSB-LLHLLMPMSA-N 457.019 6.859 50 10 JKGE Cl[C@H]1CCC2(CCC2)N(Cc2ccc(I)c(Br)c2)C1 2349824515 MQBJVPVUDUFZBM-LBPRGKRZSA-N 454.577 5.180 50 10 JKGE Cc1cc(Br)c(C)c([C@@H](Br)C[C@H]2CCC[C@@H]3C[C@H]23)c1Br 2357917039 QVIPXWWKRFLZBJ-CXTNEJHOSA-N 465.067 7.091 50 10 JKGE O=S1(=O)CCC[C@@H]([C@@H](Br)c2c(F)cc(Cl)c(Br)c2Cl)C1 2360405030 DRIIUPXLUCPFMW-LHLIQPBNSA-N 468.997 5.156 50 10 JKGE O=S1(=O)CCCC[C@H]1[C@@H](Br)c1c(F)cc(Cl)c(Br)c1Cl 2360427753 XESMBAXLNIMYRR-GZMMTYOYSA-N 468.997 5.298 50 10 JKGE Fc1c(Br)cc(Cl)c([C@H](Br)[C@H]2C[C@@H]3CCC[C@@H]3C2)c1Br 2362241103 UATSSNDUTDAQDR-LOKDSWTASA-N 489.448 7.266 50 10 JKGE Cl[C@@H]1C[C@@H](Oc2cc(Br)cc(I)c2)[C@@]12CCCC21CC1 2364268198 RZKAYPDQSSGADX-IIAWOOMASA-N 467.572 5.763 50 10 JKGE COc1c(Br)cc(C)c([C@H](Br)[C@](C)(F)C(C)(C)F)c1Br 2365214403 ABRDUBFJZLGNEB-JSGCOSHPSA-N 478.997 6.441 50 10 JKGE O=C(COc1c(Cl)cc(Cl)cc1Cl)N/N=C/c1cn(Cc2ccccc2)c2ccccc12 2176450 ZDSMPVZQHOVFNQ-KVSWJAHQSA-N 486.786 6.179 50 10 JKGE CCSc1ccsc1[C@H]1C(C#N)=C(N)N(c2cccnc2)C2=C1C(=O)C[C@H](c1ccccc1)C2 9981731 LRVRQYLSLHVDOF-KOSHJBKYSA-N 484.650 5.954 50 10 JKGE COc1cc(/C=C(/C#N)c2ccccc2F)ccc1OC(=O)c1cc(OC)c(OC)c(OC)c1 31901729 COFPRMRAWPHHGM-WQRHYEAKSA-N 463.461 5.143 50 10 JKGE COc1ccc(/C=C/C(=O)Oc2ccc(/C=C(/C#N)c3ccccc3F)cc2OC)cc1OC 31901783 UPQKKUFXIQBVAL-ZXTVHIMQSA-N 459.473 5.534 50 10 JKGE COc1ccc(/C(C#N)=C\c2ccc(OC(=O)COc3ccc(Cl)cc3)c(OC)c2)cc1OC 31902062 OVTPDTXYCHNCQC-UNOMPAQXSA-N 479.916 5.414 50 10 JKGE CCCOc1ccc(/C=C(\C#N)C(=O)Nc2scc(-c3ccc(C)c(C)c3)c2C(=O)OCC)cc1 33346622 JLASHZRXWQEHAM-PXLXIMEGSA-N 488.609 6.543 50 10 JKGE Cc1ccc2[nH]c(/C(C#N)=C/c3ccc(Oc4ccc(C(F)(F)F)cc4[N+](=O)[O-])cc3)nc2c1 33472723 XLACTZXXNUXZGQ-LFIBNONCSA-N 464.403 6.655 50 10 JKGE CCc1ccc(NC(=O)/C(C#N)=C2\S[C@@H](Cc3ccccc3Cl)C(=O)N2c2ccccc2)cc1 33661789 YJFXUTFKXBNLCY-MZOFLMDJSA-N 488.012 5.967 50 10 JKGE CCOc1ccc(NC(=O)/C(C#N)=C\c2c(Oc3ccc(C)cc3C)nc3ccccn3c2=O)cc1 35074073 AQVSKWMTJPACJC-SILNSSARSA-N 480.524 5.048 50 10 JKGE N#C/C(=C/c1ccc(-c2cccc(C(F)(F)F)c2)o1)c1nc(O)c2c3c(sc2n1)CCCC3 35568815 JNDPJODIOFYGQT-KAMYIIQDSA-N 467.472 6.619 50 10 JKGE CCCCCOc1ccc(C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@@H]3c2ccc(F)cc2)cc1 38652756 PESQFSAICKAMNY-AREMUKBSSA-N 472.516 5.832 50 10 JKGE COc1cc(/C=C(\C#N)c2ccc(Cl)cc2)ccc1OC(=O)COc1ccc(C(C)C)cc1 40850995 XEAKKSRKBJZMKA-HYARGMPZSA-N 461.945 6.521 50 10 JKGE O=C(CC[C@H](O)c1ccccc1)N/N=C\c1ccc(OCc2cccc(F)c2)c(Br)c1 58889027 FYTWFBSEFABWEM-CHVMBPBASA-N 485.353 5.131 50 10 JKGE CC1=C(C(=O)N/N=C/c2ccc(Cl)cc2Cl)[C@@H](c2ccc(Cl)cc2Cl)NC(=O)N1 59385733 IBBDNTHMUNYMRJ-XIPYGMLFSA-N 472.159 5.078 50 10 JKGE CCCn1c(C)cc(/C=C(/C#N)C(=O)OCC(=O)Nc2cccc(Oc3ccccc3)c2)c1C 96491592 FUBMNBANOJYCBN-JCMHNJIXSA-N 457.530 5.396 50 10 JKGE Cc1cc([C@@H](Br)c2cc(Cl)c(Br)cc2F)ccc1Br 97895905 VNUVZLXRXYAWIL-CQSZACIVSA-N 471.389 6.797 50 10 JKGE Cc1cccc(C[C@H]2S/C(=C(\C#N)C(=O)Nc3ccccc3)N(c3ccc(F)cc3)C2=O)c1 102973868 BWCHIACLJKCYLW-QPQMVVSWSA-N 457.530 5.199 50 10 JKGE CCOC(=O)c1c(NC(=O)/C(C#N)=C\c2ccc([C@@H]3C[C@@H]3c3ccccc3)o2)sc2c1CCCC2 102975316 JRDZYPFABDSMFB-KZRJAQGSSA-N 486.593 6.213 50 10 JKGE CCC1(CC)[C@@H](Br)C[C@@H]1Oc1cc(Br)c(OC)cc1Br 118819511 QDJZMPPEPOKNTD-KBPBESRZSA-N 471.027 5.941 50 10 JKGE Fc1cccc(CC(CBr)(CBr)c2cccc(Br)c2)c1Cl 123429067 ZNTJNESYVUTPBK-UHFFFAOYSA-N 499.443 6.512 50 10 JKGE COc1cccc(C[C@@H](Br)c2cc(Br)c(C)cc2Br)c1 128837902 ASENXPKRRDVVBR-MRXNPFEDSA-N 463.007 6.207 50 10 JKGE COc1cc([C@@H](Cl)c2cc(Br)ccc2Cl)c(OC)cc1Br 134285194 XQJQYKXSQWJZML-HNNXBMFYSA-N 454.973 6.210 50 10 JKGE COc1cc(Br)ccc1[C@H](Br)c1cc(Br)sc1C 135308995 FJTRYOCUCWYVRQ-ZDUSSCGKSA-N 455.009 6.074 50 10 JKGE COc1cc(Br)ccc1[C@H](Br)c1cc(Br)ccc1OC 160770857 FLCCEUXRHAOYFV-HNNXBMFYSA-N 464.979 5.713 50 10 JKGE C[C@@]12CC3CC(C(=O)N/N=C/c4cccc(OCc5ccc(Cl)cc5)c4)(C1)C[C@](C)(C3)C2 169889127 FXNHGWBSABXQIF-JZRHTAQOSA-N 451.010 6.366 50 10 JKGE CCCOc1ccc(/C=C(/C#N)C(=O)Nc2scc(-c3ccc(C)cc3C)c2C(=O)OCC)cc1 207210663 FVCKISZFQRHQMG-QNGOZBTKSA-N 488.609 6.543 50 10 JKGE CCC(CC)(CBr)CNC(=O)c1ccc(Br)cc1Br 230246276 GUNJKVXJAFESGT-UHFFFAOYSA-N 456.016 5.143 50 10 JKGE COc1ccc([C@H](Br)c2cc(Br)sc2Br)c(Cl)c1 234992797 CSQWFCKNXAECLD-NSHDSACASA-N 475.427 6.419 50 10 JKGE Clc1ccc(Oc2ccc(CBr)c(Br)c2)c(Br)c1 236047707 YVQNZEZIUQCOPL-UHFFFAOYSA-N 455.371 6.552 50 10 JKGE Cc1ccc([C@H](C(=O)N[C@@H]2CCC[C@@H](C)[C@H]2C)N(CCc2ccccc2)C(=O)CCl)cc1 252584730 CKZDQHONUCYXNB-LXRCUPKFSA-N 455.042 5.287 50 10 JKGE COc1ccc(-c2cc(C(=O)NN=Cc3ccc(Cl)s3)c3ccccc3n2)c(OC)c1 252616127 JXIDRNXAHGRVAL-UHFFFAOYSA-N 451.935 5.398 50 10 JKGE CCOc1ccc(Br)c(C=NNC(=O)c2ccccc2OCc2ccccc2)c1 252626876 RHMBVSHXNXRKRN-UHFFFAOYSA-N 453.336 5.191 50 10 JKGE CCOc1ccc(C(=O)NN=Cc2c(OC(=O)c3ccc(OC)c(OC)c3)ccc3ccccc23)cc1 254351445 XTSRERSOMRNOHC-UHFFFAOYSA-N 498.535 5.239 50 10 JKGE CC(C)(C)OC(=O)N1CCC[C@](CBr)(OCc2ccc(Br)cc2)C1 303741854 QRNHWNSBKURWCN-GOSISDBHSA-N 463.210 5.130 50 10 JKGE Fc1cc(Br)ccc1[C@H]1CN(Cc2ccccc2)C[C@@H]1CI 382690401 HZTSVKOYUARFRF-YOEHRIQHSA-N 474.155 5.239 50 10 JKGE C[C@@H](Cl)c1nc2cncc(Cl)c2n1CCCN(Cc1ccccc1)Cc1ccccc1 390603304 WTOWWEZPGKOXBC-LJQANCHMSA-N 453.417 6.477 50 10 JKGE Cc1cc(F)c([C@H](Br)c2cc(Br)sc2Br)cc1Cl 395898057 KECXBSGPVYOXCU-NSHDSACASA-N 477.418 6.858 50 10 JKGE Clc1cc([C@@H](Cl)c2cccc(I)c2)c(Cl)c(Cl)c1Cl 404721761 KTLATMBTOWIISZ-JTQLQIEISA-N 466.360 7.233 50 10 JKGE CC(C)(C)[Si](C)(C)OCc1ccccc1[C@@H]1Cc2ccccc2N(S(=O)(=O)c2ccccc2)C1 616592790 KRYCAMQQBWIUFU-XMMPIXPASA-N 493.745 6.744 50 10 JKGE CC(C)(C)OC(=O)N1c2ccccc2NC[C@H]1c1cccc(CO[Si](C)(C)C(C)(C)C)c1 616685422 FGJJBCDSMNNVON-QHCPKHFHSA-N 454.687 7.117 50 10 JKGE Brc1ccsc1[C@H](Br)c1cc(Br)c2c(c1)CCCO2 689530587 XZURHFVNXUTWJW-GFCCVEGCSA-N 467.020 6.082 50 10 JKGE C[C@H](Cl)c1nc2cc(I)c(F)cc2n1C[C@H]1CCN1Cc1ccccc1 716226653 GJGOVOQHLLNPOC-DZGCQCFKSA-N 483.756 5.354 50 10 JKGE C[C@@H](O[C@]1(CI)CCCN(C(=O)OC(C)(C)C)C1)C1CCCCC1 719736906 OCSKRIAPUGCOGE-BEFAXECRSA-N 451.389 5.177 50 10 JKGE CCCCn1cc(/C=C(\C#N)C(=O)Nc2sc3c(c2C(=O)OCC)CCCC3)c2ccccc21 1083985344 UQBCFTBLCKZEGX-OBGWFSINSA-N 475.614 6.104 50 10 JKGE O=C(NN=Cc1ccccc1F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F 1084029944 DOIHGGXHRASYBE-UHFFFAOYSA-N 484.187 5.015 50 10 JKGE Cc1cccc(-n2c(C)cc(C=NNC(=O)c3ccc(CSc4ccccc4)cc3)c2C)c1 1084183985 NCLBMVXCZHVPCY-UHFFFAOYSA-N 453.611 6.459 50 10 JKGE C[C@]12CC[C@@H]3[C@H](CC=C4C[C@H](OC(=O)/C=C\c5ccccc5)CC[C@@]43C)[C@@H]1CCC2=NNC(N)=O 1084483337 NMEUWUBEWUDIDC-WILPJRLYSA-N 475.633 5.599 50 10 JKGE CCCCCOc1c(Br)cc([C@@H]2C(C#N)=C(N)Oc3c2c(C)nn3CCC)cc1OC 1865691941 FLXHWMFSPVAYLA-HXUWFJFHSA-N 489.414 5.160 50 10 JKGE COc1ccc([C@@H]2C(C#N)=C(N)Oc3c2c(-c2ccccc2)nn3-c2ccc(Cl)cc2)cc1 1865713340 WVEPIHOXBCFNOJ-JOCHJYFZSA-N 454.917 5.419 50 10 JKGE COc1ccc([C@@H](C(=O)N[C@H](CCSC)C(=O)Nc2ccc(SC#N)cc2)C2CCCC2)cc1 1867014871 ZUVQSPVXDFVFOT-RPWUZVMVSA-N 497.686 5.419 50 10 JKGE CCc1ccc(OCCC/C(O)=C(\C#N)c2nc(-c3ccc(Oc4ccccc4)cc3)cs2)cc1 1872753935 VINLSJXDNPQJDJ-SGEDCAFJSA-N 482.605 7.817 50 10 JKGE N#C/C(=C(/O)Cc1ccc(OCc2ccccc2)cc1)c1nc(-c2cc(Cl)ccc2Cl)cs1 1872758065 JVIKIPFXQHAFLV-LVWGJNHUSA-N 493.415 7.731 50 10 JKGE CCCCc1ccc(-c2csc(/C(C#N)=C/c3cccc(OCc4ccccc4)c3)n2)cc1 1872781175 XESUZHVAJGNIAK-YZSQISJMSA-N 450.607 7.796 50 10 JKGE CCOc1ccc(-c2csc(/C(C#N)=C/c3ccc(OC(=O)c4ccccc4)c(OC)c3)n2)cc1 1872790401 GFJIAJUCAHVTBB-PXLXIMEGSA-N 482.561 6.501 50 10 JKGE CC(C)(C)OC(=O)NCCCCCC(=O)N/N=C/c1cccc(OCc2ccccc2Cl)c1 1873792412 BNJFICBEVGUXQC-OGLMXYFKSA-N 474.001 5.454 50 10 JKGE CCC[C@@H]1C[C@H]1[C@@H](Br)c1c(Br)sc(Br)c1Br 1897487069 ABFPWNOQVINDRT-ATRFCDNQSA-N 495.900 6.908 50 10 JKGE O=S(=O)(c1c(Cl)cccc1Br)N(CCCBr)Cc1ccccc1 1914647946 MOTQSXOKHIMAJY-UHFFFAOYSA-N 481.637 5.078 50 10 JKGE Cc1sc(C)c(S(=O)(=O)N(Cc2ccccc2)[C@@H](CCl)C(C)C)c1Br 1915280148 KGDICLMERCBOBT-INIZCTEOSA-N 464.878 5.582 50 10 JKGE CC(C)[C@H](CBr)N(Cc1ccccc1)C(=O)c1cccc(Br)c1Cl 1915298644 VXWWVMDEZBRDCT-KRWDZBQOSA-N 473.636 6.164 50 10 JKGE Cc1cc2c(nc([C@H](C)Cl)n2CC2(N(Cc3ccccc3)Cc3ccccc3)COC2)c(C)n1 1921387109 AWQRQTDPBORQFV-NRFANRHFSA-N 475.036 5.819 50 10 JKGE CC(C)(C)[C@@H]1C[C@@H]1[C@H](Br)c1c(Br)sc(Br)c1Cl 1923037425 DBYSLYAREWXRRQ-BBVRLYRLSA-N 465.476 7.045 50 10 JKGE FC(F)C(F)(F)[C@@H](Br)c1c(Br)sc(Br)c1Cl 1923073279 VVIIMAUQSNRTOY-VKHMYHEASA-N 469.317 6.263 50 10 JKGE CN(CCN(Cc1ccccc1)c1ccc(F)c(Cl)c1CBr)Cc1ccccc1 1931966476 BEIGNZUIMDCDPI-UHFFFAOYSA-N 475.833 6.513 50 10 JKGE Clc1c(Br)ccc(CBr)c1N(Cc1ccccc1)CC1CCC1 1939327407 BGGPPFOHJUMCBX-UHFFFAOYSA-N 457.637 6.804 50 10 JKGE COc1sc([C@H](Br)c2cscc2OCc2ccccc2)cc1Br 1939529896 XGGBDODCEJVONB-MRXNPFEDSA-N 474.239 6.644 50 10 JKGE Cc1c(Cl)cc([C@@H](Br)c2ccc(Br)s2)cc1Br 2002241706 FYNPGTJBSFYWBE-GFCCVEGCSA-N 459.428 6.719 50 10 JKGE Clc1cnccc1C[C@@H](Br)c1c(Br)cccc1Br 2033090565 HDBRWSZPFBAOGD-LLVKDONJSA-N 454.387 5.939 50 10 JKGE Cc1c(F)cc(CCl)cc1S(=O)(=O)N(CCN(C)Cc1ccccc1)Cc1ccccc1 2034748807 GHHOIRYANDNYCP-UHFFFAOYSA-N 475.029 5.196 50 10 JKGE CN(Cc1ccc(Br)s1)c1ccc(Br)cc1CBr 2039293053 NIFVRCWBJHOPMH-UHFFFAOYSA-N 454.025 5.804 50 10 JKGE CCc1cc(Br)c([C@@H](Br)c2c(C)nn(C)c2Br)s1 2065889419 ADQDEHIZQJFZPU-JTQLQIEISA-N 457.029 5.362 50 10 JKGE COc1cc2c(cc1OC)[C@@H](c1ccc(C(F)(F)F)cc1)N(C(=O)C(C#N)=Cc1ccccc1)CC2 2077614669 HEINVZGBWPDDIW-AREMUKBSSA-N 492.497 5.804 50 10 JKGE Cc1cc(Cl)c(Br)cc1[C@@H](Br)c1cc(Br)sc1C 2082390081 QATMESWATXCSIH-CYBMUJFWSA-N 473.455 7.028 50 10 JKGE ClCCc1nc2cc(I)ccc2n1C1CC(COCc2ccccc2)C1 2092628170 VNLGWDRUWGEAOB-UHFFFAOYSA-N 480.777 5.590 50 10 JKGE Fc1cccc([C@@H](Br)Cc2c(Cl)cccc2Cl)c1I 2104776112 LWLIHICPLAIRME-JTQLQIEISA-N 473.938 6.416 50 10 JKGE COc1sc([C@@H](Br)c2cc(Cl)c(C)c(Br)c2)cc1Br 2111087590 VZFHMLHTEZBDAO-LBPRGKRZSA-N 489.454 6.728 50 10 JKGE Cc1nc([C@H](Br)c2cc(Br)c3c(c2)CCO3)c(Br)s1 2113188528 AAASUEOCWYUGHH-SNVBAGLBSA-N 468.008 5.396 50 10 JKGE C[C@H]1CC[C@H](COc2c(Br)cc(Br)cc2CBr)OC1 2116417002 CVYLBPYHCHOWBB-JOYOIKCWSA-N 457.000 5.300 50 10 JKGE ClCC[C@@H](Nc1ncc(I)cc1Br)C1CCCCC1 2133380624 WOPTXSGCLUOOAK-CYBMUJFWSA-N 457.581 5.438 50 10 JKGE Cc1cc(F)c([C@H](Cl)c2ccc(Br)cc2I)cc1Cl 2142292431 UFGLAPRNNNQZKZ-CQSZACIVSA-N 473.938 6.483 50 10 JKGE Fc1ccc([C@H](Br)CCc2ccc(I)c(Cl)c2)cc1 2142936782 LOEUZGIOWGQPFO-CYBMUJFWSA-N 453.520 6.153 50 10 JKGE Clc1cc(C[C@@]2(CBr)CC23CCCCC3)ccc1I 2142939423 GUIGEJLOKQSFRT-INIZCTEOSA-N 453.589 6.223 50 10 JKGE FC(F)(F)c1ccc([C@@H](Br)c2cc(Br)c(Cl)s2)cc1Cl 2146763762 QQGDIBGSVRSFBQ-SNVBAGLBSA-N 468.947 7.321 50 10 JKGE CC[C@H](Br)[C@H]1CCCCN1C(=O)c1cc(Br)ccc1Br 2170612261 HOOPVWKNMPVEKS-GXTWGEPZSA-N 468.027 5.380 50 10 JKGE Cc1cc(Br)c(C)c([C@@H](Br)C[C@H]2CCC23CCC3)c1Br 2201080570 YQEPRQRZZJHCLI-OCCSQVGLSA-N 465.067 7.235 50 10 JKGE BrC[C@@H](C1CC1)N(Cc1ccccc1)Cc1c(Br)sc2ccccc12 2217924096 OUDQZUNBEMBUDL-IBGZPJMESA-N 479.281 6.840 50 10 JKGE Cc1nn(C)c(Br)c1[C@H](Br)c1sc(Br)c(C)c1C 2218788968 FQBUHEFYBFRZNJ-VIFPVBQESA-N 457.029 5.416 50 10 JKGE Cc1cc(Br)c([C@H](Br)Cc2ccc(Br)cc2Cl)s1 2221699179 FGJAHJMDENJLIZ-LLVKDONJSA-N 473.455 6.914 50 10 JKGE Cc1sc([C@@H](Br)c2c(Cl)sc(Cl)c2Cl)c(Br)c1C 2221836524 MZRVRCIFCZUWIO-ZETCQYMHSA-N 469.478 7.633 50 10 JKGE CN(C[C@@H](Br)COCc1ccccc1)c1ncc(C(F)(F)F)cc1Br 2224024410 AQXBCJSVLIMAST-CQSZACIVSA-N 482.138 5.279 50 10 JKGE Clc1c(Br)sc(Br)c1[C@H](Br)[C@H]1C[C@H]2CCC[C@H](C2)C1 2225322071 PZDFIUQEJMAKED-PKIKSRDPSA-N 491.514 7.579 50 10 JKGE C[C@]1([C@H](Br)c2cc(Br)c(Br)cc2F)CCCC1(F)F 2225615503 ICDCQNVCEFVTKE-VXGBXAGGSA-N 464.945 6.612 50 10 JKGE Cc1cccc([C@@H](Br)c2cc(Br)c(Br)cc2F)c1F 2225616012 MMOQJZQFSTYROH-CYBMUJFWSA-N 454.934 6.283 50 10 JKGE Cc1c(F)ccc([C@H](Br)c2cccc(Br)c2Br)c1F 2231076638 QDDOMUQPWAOKFR-GFCCVEGCSA-N 454.934 6.283 50 10 JKGE C[C@@H](C1CCCCC1)[C@@H](Br)c1c(Br)cc(Cl)c(Cl)c1Cl 2232529652 YGRKJZQJYQIODI-ISVAXAHUSA-N 463.468 8.062 50 10 JKGE Cc1cc(Br)c([C@@H](Br)[C@H]2CCCC23CCC3)c(C)c1Br 2235602205 CQFATMOMXZNKBJ-WBMJQRKESA-N 465.067 7.235 50 10 JKGE Fc1cc(Br)c(F)c(Br)c1[C@H](Br)[C@H]1C[C@H]1C(F)F 2260065185 HIRSTVNMQSVQCP-JJXKXHSHSA-N 454.881 5.827 50 10 JKGE C[C@@H](C(F)(F)F)C(CBr)(CBr)c1ccc(Br)cc1 2263887905 JGZXARWBQGANHU-MRVPVSSYSA-N 452.934 5.675 50 10 JKGE Cc1cc(Br)c([C@@H](Br)c2c(Br)cc(C)c(F)c2C)s1 2264463340 OBBMAGJUGXVZPY-LBPRGKRZSA-N 471.027 6.822 50 10 JKGE COc1ccc(C)cc1[C@@H](Br)c1ccc(Cl)c(I)c1 2268275369 FAGXSUZDWVMBHL-HNNXBMFYSA-N 451.529 5.746 50 10 JKGE COc1ccc([C@@H](Br)c2ccc(F)cc2Cl)cc1I 2269557158 STZTXGFDLSHHJG-CQSZACIVSA-N 455.492 5.577 50 10 JKGE C[C@H](C[C@H](Br)c1c(F)cc(Br)c(F)c1Br)C(C)(C)C 2272737894 GDWQIYOKONIKFJ-SFYZADRCSA-N 462.998 6.998 50 10 JKGE FC(F)[C@@H]1CCC[C@H]1[C@H](Br)Cc1cc(Br)cc(Br)c1 2277954743 GGDQYSISVKSUNO-JHJVBQTASA-N 460.982 6.199 50 10 JKGE Clc1ccc(Br)cc1[C@H](Cl)Cc1cc(Br)cc(Br)c1 2277955155 HHPRDRLRIADOJN-CQSZACIVSA-N 487.844 7.150 50 10 JKGE COc1cc(C)c(Br)c(C)c1[C@H](Cl)c1scc(Br)c1Cl 2285076932 INIUCFMCMMJPLR-ZDUSSCGKSA-N 459.030 6.880 50 10 JKGE Cc1cc(C)cc(OCCOc2ccc(Br)cc2C=C(C#N)C(=O)Nc2ccccc2)c1 2293323895 LVUVABXWYHAXSG-UHFFFAOYSA-N 491.385 6.069 50 10 JKGE N#CC(=Cc1ccc(-c2cccc(Cl)c2)o1)C(=O)Nc1ncc(Cc2cccc(Cl)c2)s1 2296818936 CAGGVVRUAZHFRL-UHFFFAOYSA-N 480.376 6.846 50 10 JKGE Brc1ccc(OCc2ccccc2)c([C@H](Br)[C@H]2CCCOCC2)c1 2299505408 WPVVANRTQKRQBF-OXJNMPFZSA-N 454.202 6.281 50 10 JKGE Brc1ccc(OCc2ccccc2)c([C@H](Br)C2COCCOC2)c1 2299528326 QPCCNJLDLHQMRW-LJQANCHMSA-N 456.174 5.127 50 10 JKGE Brc1cc(OCc2ccccc2)ccc1[C@@H](Br)C12CCC(CC1)C2 2299536538 ZGGLNTPEWFYAHU-VZDHWGDASA-N 450.214 7.044 50 10 JKGE Cc1scc([C@H](Cl)c2ccc(OCc3ccccc3)cc2Br)c1Br 2303602950 ZAUCOBBZXQQUEA-LJQANCHMSA-N 486.656 7.489 50 10 JKGE COc1c(Br)cc(C=C(C#N)C(=O)Nc2cc(C)ccc2C)cc1Br 2313511260 WSRYJTJAWXTHNX-UHFFFAOYSA-N 464.157 5.383 50 10 JKGE O=C(NN=C(C=Cc1ccccc1)C=Cc1ccccc1)c1cccc(I)c1 2313533969 RMFRCWOFIFROFC-UHFFFAOYSA-N 478.333 5.804 50 10 JKGE Cc1ccc(NC(=O)C(C#N)=Cc2cc(Cl)ccc2OCc2ccc(Br)cc2)cc1C 2313681151 NJGYIHRKSZCIJU-UHFFFAOYSA-N 495.804 6.844 50 10 JKGE CCc1ccc(NC(=O)C(C#N)=Cc2ccc(OCc3ccc(Cl)c(Cl)c3)cc2)cc1 2313738485 FNWACBMPTNPTAX-UHFFFAOYSA-N 451.353 6.680 50 10 JKGE N#CC(=Cc1ccc(-c2ccc([N+](=O)[O-])cc2Cl)o1)C(=O)Nc1cc(Cl)cc(Cl)c1 2314486068 AOOANLDRANHYGL-UHFFFAOYSA-N 462.676 6.361 50 10 JKGE N#CC(=Cc1c[nH]nc1-c1ccccc1)c1nc(-c2ccc(I)cc2)cs1 2314490561 YYRUHQZNHLWLGB-UHFFFAOYSA-N 480.334 5.869 50 10 JKGE CCCCCCCOc1ccc(C=C2C(=O)N([C@H](C)CC)C(=O)C(C#N)=C2C)cc1OCC 2314611539 WRNPVMWIWMKSAL-LJQANCHMSA-N 452.595 5.825 50 10 JKGE CC(C)Oc1c(Cl)cc(C=NNC(=O)CSc2nc3ccccc3s2)cc1Cl 2323195432 BABKWRFBVLSASR-UHFFFAOYSA-N 454.404 5.633 50 10 JKGE COc1cc2nc(C(C#N)=Cc3ccc(OCc4ccc(C)cc4)c(OC)c3)nc(O)c2cc1OC 2331042463 BOYGISRBOJWMCX-UHFFFAOYSA-N 483.524 5.313 50 10 JKGE N#CC(=C(O)[C@H]1CC(=O)N(Cc2ccccc2)C1)c1nc(-c2ccc3ccccc3c2)cs1 2331237871 NANSNBOPIPNPAR-QFIPXVFZSA-N 451.551 5.805 50 10 JKGE CCc1cccc(CC)c1N1C[C@@H](C(O)=C(C#N)c2nc(-c3ccccc3Cl)cs2)CC1=O 2331266778 HGQSPGLYVAAZDK-SFHVURJKSA-N 478.017 6.434 50 10 JKGE CCOc1ccc(C=CC(O)=C(C#N)c2nc(-c3ccc(Oc4ccccc4)cc3)cs2)cc1 2331358860 WFMKBRLFTFLHRY-UHFFFAOYSA-N 466.562 7.507 50 10 JKGE COc1c(C)cc(C)cc1-c1csc(C(C#N)=C(O)CCCOc2ccc(C(C)(C)C)cc2)n1 2331373244 QNBNSXLYTTZPKQ-UHFFFAOYSA-N 476.642 7.385 50 10 JKGE COc1ccc(Cl)cc1N1C[C@@H](C(O)=C(C#N)c2nc(-c3ccc(C)c(C)c3)cs2)CC1=O 2331382568 HEFHKFURIKAAKH-KRWDZBQOSA-N 479.989 5.935 50 10 JKGE COc1c(C)cc(Cl)cc1-c1csc(C(C#N)=C(O)c2ccc(N3CCCC3)c([N+](=O)[O-])c2)n1 2331393729 KOHHKORZRWDMIS-UHFFFAOYSA-N 496.976 6.239 50 10 JKGE COC(=O)c1ccc(C=CC(O)=C(C#N)c2nc(-c3cc(C(C)(C)C)ccc3C)cs2)cc1 2331397165 OTLGKRLDDNJAPF-UHFFFAOYSA-N 458.583 6.709 50 10 JKGE N#CC(=Cc1ccccc1OCc1ccc(Cl)cc1)c1nc(-c2ccc(F)cc2F)cs1 2331437958 YLKNKVWRECMYMU-UHFFFAOYSA-N 464.924 7.385 50 10 JKGE COc1cc(C=C(C#N)c2nc(-c3ccc4c(c3)OCO4)cs2)ccc1OCCCc1ccccc1 2331453874 UWIXUNGALPJIOT-UHFFFAOYSA-N 496.588 6.623 50 10 JKGE COc1ccc(-c2csc(C(C#N)=Cc3ccc(Br)cc3)n2)c(OC)c1OC 2331492753 MVMYMANEJCLJBE-UHFFFAOYSA-N 457.349 5.663 50 10 JKGE Clc1cc(CN2CC[C@@H]3CC[C@@H](Br)[C@H]2C3)ccc1I 2333386626 FNRBQSKJYPIIKQ-JVLSTEMRSA-N 454.577 5.083 50 10 JKGE Brc1cc(OCc2ccccc2)ccc1[C@H](Br)[C@@H]1C[C@H]1C1CCCCC1 2336045284 VKQXCRVXKUWJIT-XJUOHMSHSA-N 478.268 7.681 50 10 JKGE Cc1cc([C@H](Br)c2ccc(OCc3ccccc3)cc2Br)cc(C)c1F 2336083983 OXVWBDISSUXZBS-NRFANRHFSA-N 478.199 7.268 50 10 JKGE Cc1cc(Br)c(F)c(Br)c1[C@H](Br)[C@@H]1C[C@H]2CCC[C@H]21 2339654667 UHHVNPHKAUKCJB-VWMGYNLJSA-N 455.003 6.531 50 10 JKGE COc1c(Br)cc(C)c([C@H](Br)[C@@]23COC[C@@H]2C3)c1Br 2339657189 VSBBJFJGXXODIF-YZMDESFKSA-N 454.984 5.001 50 10 JKGE Fc1c(Br)cc(Cl)c([C@@H](Br)[C@H]2C[C@@H]3CC[C@H](C2)O3)c1Br 2362227287 CKXGZZRGZFKTIJ-ZNWBZCOPSA-N 491.420 6.398 50 10 JKGE CC1(C)CC2(C1)CC(CBr)(Cc1ccc(Cl)c(I)c1)C2 2362373669 PVQZGODZFKKFAR-UHFFFAOYSA-N 467.616 6.469 50 10 JKGE COc1ccc(CCC(CBr)(CBr)CC(C)C)c(Br)c1 2364934466 ZLHMZOOULNRYFJ-UHFFFAOYSA-N 471.071 6.213 50 10 JKGE Cc1ccc([C@@H](CBr)OCc2c(Br)cccc2Br)cc1 2366145425 SAZVWZONPOVCNC-MRXNPFEDSA-N 463.007 6.173 50 10 JKGE Cc1nsc(Br)c1-n1c(CCl)nc2cc(I)c(F)cc21 2380351942 PJDFHRPYGWAYRZ-UHFFFAOYSA-N 486.535 5.035 50 10 JKGE Cc1cc(C)c([C@@H]2C(C#N)=C(N)OC3=C2C(=O)CC(C)(C)C3)cc1COc1ccccc1Cl 2728045 VWWJFTQAPHTPSX-XMMPIXPASA-N 462.977 5.987 50 10 JKGE O=C(N/N=C/c1c2ccccc2cc2ccccc12)c1cccc(NC(=O)c2ccc(F)cc2)c1 27520190 FOODTYSBGCNOGY-FDAWAROLSA-N 461.496 6.148 50 10 JKGE N#C/C(=C/c1ccc(-c2cc(C(F)(F)F)ccc2Cl)o1)C(=O)Nc1ccc(Br)cc1 33707960 CTLWSPYZLCHLMV-XFXZXTDPSA-N 495.682 6.927 50 10 JKGE N#C/C(C(=O)NCc1ccccc1)=C1\S[C@H](Cc2ccccc2Cl)C(=O)N1c1ccc(F)cc1 33733427 YTLAZWZDDLPCTO-QPSWJSTDSA-N 491.975 5.222 50 10 JKGE COc1cc(/C=C(/C#N)c2nn(-c3ccccc3)c(N)c2C#N)cc(OC)c1OCc1ccc(F)cc1 33768941 OAYXSGSCZLKWGH-NDENLUEZSA-N 495.514 5.126 50 10 JKGE COc1ccc(/C=C(/C#N)C(=O)Nc2ccc([N+](=O)[O-])cc2Cl)cc1OCc1ccccc1 33930090 OXKZBPFODALCJE-WQRHYEAKSA-N 463.877 5.381 50 10 JKGE CCN(CC)CCOC(=O)c1ccc(N/C=C(\C#N)c2nc(-c3ccc(C)cc3C)cs2)cc1 33933395 JGYVAYFCXWLSHW-OQKWZONESA-N 474.630 5.902 50 10 JKGE N#C/C(=C\C1=C(N2CCOCC2)/C(=C/c2ccccc2)CC1)C(=O)Nc1ccc(SC(F)F)cc1 35238101 QMLDRRRBFZBFHZ-DWBJUFKYSA-N 493.579 5.853 50 10 JKGE COc1ccc(-c2nn(-c3ccccc3)cc2/C=C(/C#N)c2nc(O)c3cc(Cl)ccc3n2)cc1 35518838 PNXVOGRXDKSWST-AQTBWJFISA-N 479.927 5.914 50 10 JKGE CC1(C)[C@]2(C)CC[C@@]1(C(=O)Nc1nc3ccc(Br)cc3s1)[C@H](Br)C2=O 35548720 AXNGMIFDLJZHHD-PJSAGSTRSA-N 486.229 5.156 50 10 JKGE N#CC1=C(N)Oc2cc(OC(=O)COc3ccccc3Cl)ccc2[C@H]1c1ccc(Cl)cc1 38651353 JNKVLUMEPOJQOI-HSZRJFAPSA-N 467.308 5.196 50 10 JKGE Cc1cccc(OCC(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@@H]3c2ccc(Cl)cc2Cl)c1 38655335 DKDKFODYKUMPBT-XMMPIXPASA-N 481.335 5.504 50 10 JKGE C=CCOc1ccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)Cc4cccc5ccccc45)ccc32)cc1 38658177 ITRGSSBHSVBXPZ-PMERELPUSA-N 488.543 5.771 50 10 JKGE COc1ccc(C(=O)N/N=C2\CCCc3oc(C(=O)Nc4cc(Cl)cc(Cl)c4)c(C)c32)cc1 40813817 GXHWKOYBUNOAQR-TURZUDJPSA-N 486.355 5.626 50 10 JKGE O=C(CC[C@H](O)c1ccccc1)N/N=C\c1ccccc1OCc1ccc(Cl)cc1Cl 58892362 PIBXDHANVJYLCB-CHVMBPBASA-N 457.357 5.536 50 10 JKGE CCOc1ccc([C@H](O)CCC(=O)N/N=C/c2ccc(-c3ccc(C)cc3Br)o2)cc1 58892780 DAVGVOSZHGLRMC-QVGKIPNLSA-N 485.378 5.380 50 10 JKGE Cc1cccc(COc2ccc(Br)cc2/C=C(/C#N)C(=O)Nc2cccc(C)c2C)c1 59201409 SWGAKUULSRIBHL-XKZIYDEJSA-N 475.386 6.499 50 10 JKGE CCOc1cc(/C=N/NC(=O)c2cc3cc(Br)ccc3o2)cc(Br)c1OC 59304613 XTAVTJGUBHEMHD-LSHDLFTRSA-N 496.155 5.129 50 10 JKGE CCCCCCC(=O)Nc1nnc(SSc2nnc(NC(=O)CCCCCC)s2)s1 59387007 BREOXRLSCNDQQV-UHFFFAOYSA-N 488.730 6.007 50 10 JKGE BrCC1(COc2c(Br)cccc2Br)CCCCCC1 96870585 ZUNNOJWGPOCCJD-UHFFFAOYSA-N 455.028 6.326 50 10 JKGE Fc1ccc(Br)cc1[C@@H](Br)c1cc(Cl)c(Br)cc1F 97896074 RGWWBVMAAVGVIX-CYBMUJFWSA-N 475.352 6.628 50 10 JKGE CCOC(=O)c1c(N/C=C(\C#N)c2nc(-c3cccc(OC)c3)cs2)sc2c1CCCC2 102462171 WWYCPIWEFMATOU-DTQAZKPQSA-N 465.600 5.912 50 10 JKGE CCOC(=O)c1c(N/C=C(\C#N)c2nc(-c3ccc(C)cc3)cs2)sc(C(=O)OC)c1C 102924472 JKXZREDIEVLNTO-LFIBNONCSA-N 467.572 5.428 50 10 JKGE CC(C)OC(=O)c1ccc(N/C=C(/C#N)c2nc(-c3cccc(Br)c3)cs2)cc1 102934438 SVUACCXEAHHHBD-ATVHPVEESA-N 468.376 6.114 50 10 JKGE Cc1cccc(C)c1N/C(SCc1cccc(F)c1)=C(\C#N)S(=O)(=O)c1ccccc1 104688827 UYMFCLOLKKOEOL-GYHWCHFESA-N 452.576 5.954 50 10 JKGE Cc1cc([C@H](Br)c2cc(Cl)c(Br)s2)ccc1Br 137916629 XZAXWAQAPQVNOQ-NSHDSACASA-N 459.428 6.719 50 10 JKGE Cc1cc(F)c([C@@H](Br)c2cc(Br)ccc2Br)cc1F 161113840 YHEZDNFPPNIVJQ-AWEZNQCLSA-N 454.934 6.283 50 10 JKGE Cc1c(Br)cccc1[C@H](Br)c1csc2c(Br)cccc12 163505310 JOUPBHIEPSCHEN-HNNXBMFYSA-N 475.043 7.219 50 10 JKGE CCCCOc1ccc(/C=C(/C#N)C(=O)Oc2ccc(C(=O)Nc3ccc(C)cc3)cc2)cc1 206287391 PGDFAZBABWUHFG-NKFKGCMQSA-N 454.526 5.939 50 10 JKGE CCCN1C(=O)C(C#N)=C(C)/C(=C/c2cn(-c3ccccc3)nc2-c2ccc(SCC)cc2)C1=O 214218324 VUROEEFCMYNFNV-JLPGSUDCSA-N 482.609 5.654 50 10 JKGE CCCCN1C(=O)C(C#N)=C(C)/C(=C/c2cn(-c3ccccc3)nc2-c2ccc(SCC)cc2)C1=O 214226404 XSVDQZAWHAGISI-UQQQWYQISA-N 496.636 6.044 50 10 JKGE Brc1ccc(C[C@@H](Br)c2cc(Br)cc3c2OCC3)cc1 228445184 ITEOWKINJAXKMP-OAHLLOKOSA-N 460.991 5.825 50 10 JKGE CCCOc1ccc([C@H](Br)c2ccc(Cl)c(Cl)c2)cc1Br 229007710 NBZDVRNRUAFBRO-INIZCTEOSA-N 453.001 7.029 50 10 JKGE Clc1cc(Oc2nc3sccn3c2CBr)c(Cl)cc1Br 232322581 RRGHZKIUCMOHAV-UHFFFAOYSA-N 456.974 6.152 50 10 JKGE Brc1ccc(I)cc1[C@@H](Br)c1ccc2c(c1)CCC2 232484253 DJQDETHYCCWECM-INIZCTEOSA-N 491.992 6.027 50 10 JKGE COc1ccc([C@H](Cl)c2ccc(Br)cc2Br)c(Br)c1 234994909 OJTJABXRWSTTLH-CQSZACIVSA-N 469.398 6.311 50 10 JKGE Fc1ccc(C[C@@H](Cl)c2cc(Br)ccc2I)c(F)c1 236156705 RDMBRJPZVWVLTK-GFCCVEGCSA-N 457.483 5.855 50 10 JKGE O=C(NN=Cc1cccc2ccccc12)c1ccc([C@H]2SCC(=O)N2Cc2ccccc2)cc1 254394635 HWVZHJSTBQWDKX-MUUNZHRXSA-N 465.578 5.378 50 10 JKGE COc1ccc(C(=O)NN=C(C)c2ccc3c(c2)[C@@H]2C=CC[C@@H]2[C@H](c2ccccc2)N3)cc1OC 254813726 CAZZKCDHLCNPCX-IWHLBADBSA-N 467.569 5.684 50 10 JKGE Cc1ccccc1C(CBr)(CBr)Cc1coc(Br)c1 380858521 DIYAGEGBFYJALQ-UHFFFAOYSA-N 450.996 5.621 50 10 JKGE COC1(CCOc2c(Br)cc(CBr)cc2Br)CCC1 381872142 NRRCBAXQAYGZQM-UHFFFAOYSA-N 457.000 5.445 50 10 JKGE Fc1cc([C@@H]2CN(Cc3ccccc3)C[C@@H]2CI)ccc1Br 382692905 JKNKASAKWNWVKP-HOTGVXAUSA-N 474.155 5.239 50 10 JKGE C[C@@H](Cl)c1nc2cccc(Cl)c2n1CCCN(Cc1ccccc1)Cc1ccccc1 390521501 GQICZPICCNSCFI-HXUWFJFHSA-N 452.429 7.082 50 10 JKGE BrCc1c(Br)cccc1Oc1ccc(Br)cc1Br 394718732 VRXJEDPVRZFCPR-UHFFFAOYSA-N 499.822 6.661 50 10 JKGE CC(C)(C)[Si](C)(C)OCCc1cccc([C@@H]2CNc3ccccc3N2Cc2ccccc2)c1 616583387 FLUGOUSUAZMMIR-NDEPHWFRSA-N 458.722 7.424 50 10 JKGE COCc1csc([C@@H](Br)c2cc(Br)c(C)cc2Br)c1 690005014 LQVIZXWCZWSXNE-AWEZNQCLSA-N 469.036 6.212 50 10 JKGE Brc1cc2c(cc1[C@H](Br)c1ncsc1Br)OCCCO2 698684952 YWFPPMSWGIVPCX-NSHDSACASA-N 484.007 5.314 50 10 JKGE N#C/C(=C\c1ccc(OCc2ccc(Cl)cc2Cl)cc1)C(=O)Nc1cccc(Cl)c1Cl 1084050622 FQFKAXKRTXTBQP-MHWRWJLKSA-N 492.189 7.425 50 10 JKGE CCOc1cc(/C=C(/C#N)C(=O)Nc2ccc(C)cc2C)ccc1OCc1cccc(Cl)c1 1084213005 FWEFXPBZBUQHNG-XKZIYDEJSA-N 460.961 6.480 50 10 JKGE Cc1cc(C=NNC(=O)c2ccc(Br)cc2)c(C)n1-c1ccc(Cl)c(Cl)c1 1084255101 FHRPHNBVMWGVDS-UHFFFAOYSA-N 465.178 5.927 50 10 JKGE N#C/C(=C\c1cc(Br)c(Sc2ccc(Cl)cc2)o1)C(=O)Nc1cccc(Cl)c1 1084327817 JNFZECHMYDWTDY-XYOKQWHBSA-N 494.197 7.046 50 10 JKGE O=C(NN=C(Cc1ccccc1)c1ccc(-c2ccccc2)cc1)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1 1084456318 UKYWVQROPZRFGD-UHFFFAOYSA-N 480.480 5.547 50 10 JKGE O=C(NN=C(CSc1nc2ccccc2o1)c1ccc(Br)cc1)c1ccccc1O 1084531741 VUCZQZZHUJVBHA-UHFFFAOYSA-N 482.359 5.222 50 10 JKGE CC(C)(C)OC(=O)N1C[C@@H](CBr)[C@H](c2cc(C(F)(F)F)ccc2Br)C1 1614691162 GSWBAQNBRNYJIV-ZWNOBZJWSA-N 487.154 5.813 50 10 JKGE Cc1ccnc(NC(=O)c2oc3c(c2C)C(=NNC(=O)Cc2coc4cc(C)cc(C)c24)CCC3)c1 1772752080 VJNHYFSMCXEGPG-UHFFFAOYSA-N 484.556 5.306 50 10 JKGE COc1ccc(-c2nn(-c3ccccc3)c3c2[C@@H](c2ccccc2Cl)C(C#N)=C(N)O3)cc1 1865686113 RKBXJRFGQFLDIN-QFIPXVFZSA-N 454.917 5.419 50 10 JKGE Cc1nn(-c2ccc(Cl)c(Cl)c2)c2c1[C@@H](c1cn(C)c3ccccc13)C(C#N)=C(N)O2 1865699033 IYHARFSJASOCQE-OAQYLSRUSA-N 450.329 5.197 50 10 JKGE COc1ccccc1[C@H]1C(C#N)=C(N)Oc2c1c(-c1ccccc1)nn2Cc1ccccc1Cl 1865710319 VGHVNSJKEMDBNT-QHCPKHFHSA-N 468.944 5.479 50 10 JKGE Cc1nc(-c2ccc(F)cc2F)ccc1C(=O)NNC(=O)[C@H](Cc1ccccc1)c1ccccc1 1865759527 FIBXAVBTTOWSOD-XMMPIXPASA-N 471.507 5.123 50 10 JKGE Cc1ccc(CCCC(=O)NNC(=O)c2ccc(-c3ccc(Cl)cc3Cl)nc2C)c(C)c1 1865759766 QXZDLMBQAWUWKU-UHFFFAOYSA-N 470.400 5.765 50 10 JKGE COc1cc(/C=C(\C#N)c2nc3ccc(C)cc3[nH]2)ccc1OCC(=O)Nc1ccc(C)cc1C 1872727869 DRVOHVDLPFRQPE-FYJGNVAPSA-N 466.541 5.578 50 10 JKGE CCCCCCCCCOc1ccc(/C=C(\C#N)c2nc3cc(C)ccc3n2C)cc1Br 1872728360 YOTSEGLWYZTVKW-OQKWZONESA-N 494.477 7.838 50 10 JKGE COc1ccc(-c2csc(/C(C#N)=C(\O)CCCOc3ccc(Cl)cc3Cl)n2)cc1OC 1872745578 UGQXNQKNEWFEMV-MNDPQUGUSA-N 491.396 6.786 50 10 JKGE CCOc1ccc(-c2csc(/C(C#N)=C(\O)Cc3cccc4ccccc34)n2)c(OCC)c1 1872755426 MLLVRVDGYBJNDW-BZZOAKBMSA-N 456.567 6.796 50 10 JKGE CC[C@@H](C)[C@H](/C(O)=C(\C#N)c1nc(-c2c(C)cc(C)cc2C)cs1)N1C(=O)c2ccccc2C1=O 1872755929 MAGLMDXQMNZBKT-RQUBXIMASA-N 485.609 6.239 50 10 JKGE COc1ccc(Cl)cc1-c1csc(/C(C#N)=C(\O)[C@H]2CC(=O)N(Cc3ccccc3)C2)n1 1872758444 AGKMQSBSIKWTNA-JJXNMMKVSA-N 465.962 5.313 50 10 JKGE COc1ccc(-c2csc(/C(C#N)=C(\O)c3ccc4c(c3)C(=O)N(C(C)C)C4=O)n2)c2ccccc12 1872758970 YZHBOWXAWLAFDR-LVWGJNHUSA-N 495.560 5.926 50 10 JKGE COc1ccc(-c2csc(/C(C#N)=C(O)/C=C/c3cccc([N+](=O)[O-])c3)n2)c(OC)c1OC 1872759501 QPAGLJMWQXZDTQ-CFBNHCQBSA-N 465.487 5.250 50 10 JKGE COc1ccc(-c2csc(/C(C#N)=C(O)/C=C/c3ccc([N+](=O)[O-])cc3)n2)c(OC)c1OC 1872759508 QUOUBQMYRKIJCU-WYZZNRCFSA-N 465.487 5.250 50 10 JKGE CCCOc1c(Br)cc(/C=C(\C#N)c2nc(-c3ccc(F)c(C)c3)cs2)cc1OC 1872790827 HCAWJAUOQDAXJQ-RQZCQDPDSA-N 487.394 6.882 50 10 JKGE CCCOc1c(Br)cc(/C=C(\C#N)c2nc(-c3cc(C)ccc3C)cs2)cc1OC 1872791018 QZIBUUXPYYWBSL-VCHYOVAHSA-N 483.431 7.051 50 10 JKGE CCCCCCOc1ccc(/C=C(\C#N)c2nc(-c3cc(C)c(Cl)cc3OC)cs2)cc1OC 1872794243 QNQMLOSXBHWASQ-DEDYPNTBSA-N 497.060 7.812 50 10 JKGE COc1cc(/C=C(\C#N)c2nc(-c3ccc(Cl)s3)cs2)ccc1OCc1ccc(C)cc1 1872794661 OQSPWCLSBSIETR-YBFXNURJSA-N 479.026 7.485 50 10 JKGE O=C(N/N=C/c1cn(-c2ccccc2)nc1-c1ccc(OCc2ccc(Cl)cc2)cc1)c1ccco1 1873498333 DUMDTJCBKIGZSD-OCSSWDANSA-N 496.954 6.129 50 10 JKGE Cc1ccc(C)c(OC/C(O)=C(\C#N)c2nc(-c3ccc(-c4ccccc4)cc3)cs2)c1C 1873940642 AZAJGACRFDBCKA-LCUIJRPUSA-N 452.579 7.274 50 10 JKGE N#C/C(=C(/O)CCCCCNC(=O)c1ccccc1)c1nc(-c2ccc(-c3ccccc3)cc2)cs1 1873940712 DLIHYXLFKHCRHI-SGEDCAFJSA-N 493.632 7.260 50 10 JKGE Cc1c(Br)sc([C@H](Cl)c2cnsc2Br)c1Br 1900453705 YMUPDPMBDHGFRP-ZCFIWIBFSA-N 466.445 6.129 50 10 JKGE CC(C)[C@@H](CCl)N(Cc1ccccc1)C(=O)c1ccc(Br)cc1Br 1915288181 HBMZGTWQFVHASU-GOSISDBHSA-N 473.636 6.117 50 10 JKGE CC(C)[C@@H](CCl)N(Cc1ccccc1)Cc1ccc(Br)cc1Br 1915296856 ZDRUUGIPWQCZPB-LJQANCHMSA-N 459.653 6.477 50 10 JKGE CC(C)(CBr)N(Cc1ccccc1)S(=O)(=O)c1cc(Cl)sc1Cl 1915767370 SGHYOHYHCGRRBG-UHFFFAOYSA-N 457.242 5.419 50 10 JKGE Fc1cc(Cl)cc([C@@H](Br)c2scc(C(F)(F)F)c2Br)c1 1918787786 OJEOJYXXUBUCPK-SECBINFHSA-N 452.492 6.806 50 10 JKGE CC(C)Cc1ccccc1[C@H](Br)c1sc(Br)cc1Br 1922881958 GAUBHOTYQOIVQF-AWEZNQCLSA-N 467.064 6.956 50 10 JKGE Cc1sc(Br)cc1[C@@H](Cl)c1sc(Br)c(C)c1Br 1922920241 DWDMEUAXNIFWRC-SECBINFHSA-N 479.484 7.042 50 10 JKGE Cc1c(Br)sc([C@H](Cl)c2ccc(Br)s2)c1Br 1922928611 AUFDPBPZDYDUFM-MRVPVSSYSA-N 465.457 6.734 50 10 JKGE Brc1cc(Br)c([C@H](Br)CC23CC4CC(CC(C4)C2)C3)s1 1922954075 KPQSYWYYCCRBBO-USXFBYMISA-N 483.107 7.316 50 10 JKGE CCCCCCCC[C@H](Br)c1sc(Br)c(C)c1Br 1922955190 XDYKWJSNVTUJKO-NSHDSACASA-N 461.101 7.768 50 10 JKGE Clc1cscc1[C@H](Br)c1c(Br)sc(Br)c1Cl 1923062016 OCTITRGXRHGLDJ-LURJTMIESA-N 485.875 7.126 50 10 JKGE FC(F)c1cscc1[C@H](Cl)c1c(Br)sc(Br)c1Cl 1923068645 UZQUSNCIIKAFFF-LURJTMIESA-N 456.986 7.254 50 10 JKGE Cc1cc(Br)cc([C@@H](Br)c2c(Cl)sc(Br)c2Cl)c1 1925590072 WNBANRNZWMXNSY-SECBINFHSA-N 493.873 7.373 50 10 JKGE C[C@@H]1COc2ccc([C@@H](Br)c3cc(Br)cc(Br)c3)cc21 1925755958 NCCKTEIDZLRKEX-JDNHERCYSA-N 460.991 6.192 50 10 JKGE CCN(C[C@](C)(CI)OCC1(C)CCCCC1)C(=O)OC(C)(C)C 1945635975 DZYTWWYNSYXWJR-IBGZPJMESA-N 453.405 5.424 50 10 JKGE CC(C)C[C@@H](Cl)c1c(Br)c(Br)cc(Br)c1Br 1995048159 OPKFWHMRUZJBNU-MRVPVSSYSA-N 498.278 7.063 50 10 JKGE BrCc1ccc(N2C[C@H]3CCN(Cc4ccccc4)[C@H]3C2)c(Br)c1 2015069196 SHRFJKMYVBYWDS-XLIONFOSSA-N 450.218 5.055 50 10 JKGE O=C(Nc1cc(Br)c(Br)c(Br)c1)C1CC(Br)C1 2020142855 JAASEDPIARBNRT-UHFFFAOYSA-N 490.815 5.086 50 10 JKGE CC[C@H](C)[C@@H](CI)NCc1c(Br)cccc1Br 2023044529 RONLVMIFLZLYFR-TVQRCGJNSA-N 475.006 5.151 50 10 JKGE CCCC(CBr)(CCC)CN1CCC[C@H](CNC(=O)OCc2ccccc2)C1 2044696365 LBSQFBUOIXPYCG-OAQYLSRUSA-N 453.465 5.606 50 10 JKGE O=C(CCCCl)Nc1ccc(OCc2ccc(Cl)cc2Cl)c(Br)c1 2060397655 JDXBCGFDOXUSGM-UHFFFAOYSA-N 451.575 6.292 50 10 JKGE Cc1cc(Cl)c(Br)cc1[C@@H](Br)c1cc(C)c(Br)o1 2082389693 MBRLVMYFJORXEX-GFCCVEGCSA-N 457.387 6.559 50 10 JKGE Cc1cnc(CC(CBr)(CBr)c2cccc(Br)c2)s1 2087497157 PTZHVDLXFMNOAO-UHFFFAOYSA-N 468.052 5.484 50 10 JKGE C[C@H]1Cc2cc([C@H](Br)c3ccc(Br)s3)cc(Br)c2O1 2090466293 DJPIVOKFCLRULZ-CPFSXVBKSA-N 467.020 6.081 50 10 JKGE CC1(C)CCN(C(=O)c2cc(Br)c(Br)s2)C[C@@H]1CBr 2092240772 QJQMBINUDPYWQD-QMMMGPOBSA-N 474.056 5.156 50 10 JKGE CCCn1ncc(Br)c1C[C@H](Br)c1ccc(Br)cc1 2113490923 JBCDZHNMBRCKBT-LBPRGKRZSA-N 451.000 5.497 50 10 JKGE COC[C@@H]1CC[C@H]([C@@H](Br)c2cc(Br)c(C)cc2Br)C1 2125331158 XVFVRTPSJWISBX-JRPNMDOOSA-N 455.028 6.019 50 10 JKGE Cc1cc(Br)c([C@@H](Br)C(F)(F)[C@H]2CCOC2)cc1Br 2128824899 YMEKHCQAYGCGEP-QPUJVOFHSA-N 462.954 5.628 50 10 JKGE FC1(F)CC2(C1)C[C@@]2(CBr)Cc1cc(Br)ccc1Br 2132885063 RZHDNHVLSJMSQQ-GFCCVEGCSA-N 458.966 5.955 50 10 JKGE COc1cc(Cl)c([C@@H](Br)c2ccccc2Br)cc1Br 2137642334 ZQJYXKMEHLMPOH-AWEZNQCLSA-N 469.398 6.358 50 10 JKGE Cc1c(Br)ccc([C@H](Br)[C@H]2CC3CCC2CC3)c1Br 2138875627 HQRWKQCWAYUZAX-IUNQETHBSA-N 451.040 6.782 50 10 JKGE CCCC[C@H](C)CC[C@@H](Br)c1cc(Br)c(C)cc1Br 2142157167 HEOROCFVZMXSNO-SMDDNHRTSA-N 455.072 7.563 50 10 JKGE CC1(C)C[C@H](n2c(CCl)nc3c(Br)cc(F)cc32)[C@@H]1OCc1ccccc1 2156376467 PFSFMYHAXOWCNK-PXNSSMCTSA-N 451.767 6.233 50 10 JKGE Cc1cc(Br)c([C@@H](Br)C2CC3(C2)CC(C)(C)C3)cc1Br 2157159241 FXLQGOMPXWFREC-HNNXBMFYSA-N 465.067 7.172 50 10 JKGE C[C@@H]1CCO[C@H]1CCC(CBr)(CBr)c1cccc(Br)c1 2157325654 GMTHHXNCNSDAOK-DOMZBBRYSA-N 469.055 5.682 50 10 JKGE Fc1cc2c(cc1I)nc(CCl)n2[C@@H]1CCCN(Cc2ccccc2)CC1 2160557778 DVGQILJGPWFLFV-MRXNPFEDSA-N 497.783 5.746 50 10 JKGE Cc1cc(Br)c([C@H](Br)[C@H]2[C@@H]3[C@H]2CCCC3(F)F)cc1Br 2170808789 PZSAGVGZIZTGKS-ISTUKMMPSA-N 472.993 6.637 50 10 JKGE C[C@@H]1C[C@@H](C(F)(F)F)N(C[C@H](CBr)CC2CC2)CCN1C(=O)OC(C)(C)C 2178263883 LKDBTCGODZCZTA-KBMXLJTQSA-N 457.375 5.060 50 10 JKGE Cc1cc(CBr)cc(S(=O)(=O)N(CCC(F)(F)F)Cc2ccccc2)c1C 2179862144 RTNKBDXHBPKRFU-UHFFFAOYSA-N 464.347 5.342 50 10 JKGE CC1(C)CCCN(C(=O)c2ccc(Br)cc2Br)[C@@H]1CBr 2185808815 VDFZFQZMMSOTBM-CYBMUJFWSA-N 468.027 5.237 50 10 JKGE COc1cc(C)c([C@H](Br)c2cc(Br)ccc2C)cc1Br 2198736922 JUJUYLXYSLTEDV-MRXNPFEDSA-N 463.007 6.321 50 10 JKGE Fc1ccc(Br)c([C@@H](Br)c2c(Br)cc(F)c(Cl)c2F)c1 2201617471 FAQYJFLAQQPDBM-LLVKDONJSA-N 493.342 6.767 50 10 JKGE Fc1ccc(Br)c(CO[C@@H](CI)c2ccccc2F)c1 2206266259 DOSDZDJVDICFPS-HNNXBMFYSA-N 453.064 5.420 50 10 JKGE CCc1nc([C@H](Br)c2sc(Br)c(C)c2C)c(Br)s1 2218786192 XCWDCAWRDPJPAH-QMMMGPOBSA-N 474.081 6.393 50 10 JKGE CC[C@@H]1CC[C@H]([C@H](Br)c2c(Br)cc(Cl)c(Cl)c2Cl)O1 2224318443 WSSUOJJJWNBQRV-CGYDSVCVSA-N 451.413 6.803 50 10 JKGE Fc1cc(Br)c(Br)cc1[C@@H](Br)CCC1CCCCC1 2225617651 PZOFZPAVXGZHAE-LBPRGKRZSA-N 457.019 7.147 50 10 JKGE Cc1cc(Br)c(C)c([C@H](Cl)c2cc(Br)c(C)s2)c1Br 2226087439 CVYHPBMXYSYMQF-CQSZACIVSA-N 487.482 7.289 50 10 JKGE Cc1ccc(I)c([C@@H](Cl)[C@@H](C)c2ccncc2Br)c1 2232224657 ZRNNIQGNYMKZKX-BONVTDFDSA-N 450.545 5.841 50 10 JKGE C[C@H](Cl)c1nc2ccc(F)c(Cl)c2n1CC1(N(Cc2ccccc2)Cc2ccccc2)COC1 2235759203 DTTPWZQHLVIZCI-IBGZPJMESA-N 498.429 6.600 50 10 JKGE Cc1ccc(Br)cc1[C@H](Br)c1ccc2c(c1Br)CCO2 2238076278 JHBCUBAQTNOWGI-MRXNPFEDSA-N 460.991 5.939 50 10 JKGE Cc1ccc(I)c([C@@H](Cl)c2scc(C(F)(F)F)c2Br)c1 2241002619 WIUUODZLYVRIJR-LLVKDONJSA-N 495.529 6.771 50 10 JKGE CC1([C@H](Br)c2cc(Br)c(Br)s2)CC(C(F)(F)F)C1 2253655163 LIWBZHXKOYZXJW-FDRLMODASA-N 470.974 6.688 50 10 JKGE COc1ccc(Br)cc1[C@@H](Cl)c1c(F)cccc1I 2267736005 BECBOFATKZXRJA-CQSZACIVSA-N 455.492 5.530 50 10 JKGE Fc1cccc(Br)c1CC[C@H](Br)c1cccc(Br)c1 2273834041 RCULJUGPKUVHFV-ZDUSSCGKSA-N 450.971 6.420 50 10 JKGE CCn1ncc(Br)c1[C@@H](Cl)Cc1cc(Br)cc(Br)c1 2277949772 QIBMSECTZLGBQK-LBPRGKRZSA-N 471.418 5.713 50 10 JKGE Cc1cc(Br)c([C@@H](Br)c2cccc(F)c2Br)c(C)c1F 2279157035 PMYHZIBAPHOIAZ-AWEZNQCLSA-N 468.961 6.591 50 10 JKGE COc1c(C)cc(Br)c(C)c1[C@@H](Cl)c1scc(Br)c1Cl 2279288149 OPQCBXYOQQTSDX-GFCCVEGCSA-N 459.030 6.880 50 10 JKGE COc1ccc([C@H](Br)c2csc(Br)c2Br)c2c1CCC2 2284520702 HQWKBDOAIBVREH-ZDUSSCGKSA-N 481.047 6.255 50 10 JKGE COc1cc(C)c(Br)c(C)c1[C@H](Br)c1scc(Br)c1C 2285071038 WJTDDWDJKWGUPA-AWEZNQCLSA-N 483.063 6.691 50 10 JKGE Fc1cc(Br)c(F)c(Br)c1[C@@H](Br)CCOCC(F)(F)F 2288349447 PZOHLFVYVKGBHY-YFKPBYRVSA-N 490.886 5.895 50 10 JKGE CC1(C)CO[C@H](C[C@@H](Br)c2c(F)cc(Br)c(F)c2Br)C1 2288497481 UAVXAYOAGGJKCV-HTQZYQBOSA-N 476.981 6.131 50 10 JKGE COc1cc(C=C(C#N)c2ccc(Cl)cc2)cc(Cl)c1OCc1ccc(C(=O)O)cc1 2294280071 XDSPRMBJDINNDD-UHFFFAOYSA-N 454.309 6.343 50 10 JKGE COc1cc(C=C(C#N)c2cccc(Cl)c2)c(Br)cc1OCc1ccc(C)cc1 2294619969 UQDNAEBYMDXEDC-UHFFFAOYSA-N 468.778 7.063 50 10 JKGE N#CC(=Cc1cccc(OCc2cccc(C(F)(F)F)c2)c1)C(=O)Nc1ccc2c(c1)OCO2 2295672312 MHZGRFOZWQFNLE-UHFFFAOYSA-N 466.415 5.559 50 10 JKGE CCCCOc1ccc(-c2nn(-c3ccccc3)cc2C=C(C#N)C(=O)NCc2ccccc2)c(C)c1 2296706786 SKVFHXFGURZGQS-UHFFFAOYSA-N 490.607 6.250 50 10 JKGE N#CC(=CNc1cccc(Cl)c1Cl)c1nc(-c2cc3c(ccc4ccccc43)oc2=O)cs1 2296800567 GOTJAWFJLCJBBM-UHFFFAOYSA-N 490.371 7.353 50 10 JKGE COc1ccc(C(=O)COc2ccc(C=C(C#N)c3nc(-c4ccc(C)c(C)c4)cs3)cc2)cc1 2296801608 VXMRRGHVMZJFRH-UHFFFAOYSA-N 480.589 6.761 50 10 JKGE CCOC(=O)c1c(NC=C(C#N)c2nc(-c3cccc([N+](=O)[O-])c3)cs2)sc2c1CCCC2 2296802170 VBQSGFMXFMNNRI-UHFFFAOYSA-N 480.571 5.812 50 10 JKGE Brc1cc(C[C@H]2CCCC[C@@H](Br)C2)ccc1I 2306200029 SLTQLUPJFAEJIT-ZYHUDNBSSA-N 472.002 5.940 50 10 JKGE N#CC(=Cc1cccc(OC(=O)c2ccc(Cl)cc2)c1)C(=O)Nc1ccc(Cl)c(Cl)c1 2313631180 LUIJTXDRJBGNNL-UHFFFAOYSA-N 471.727 6.412 50 10 JKGE Cc1c([C@@H](Cl)c2ccc(OCc3ccccc3)cc2Br)nn(C)c1Br 2314444446 LHOCDJWVSPJCRG-KRWDZBQOSA-N 484.619 6.161 50 10 JKGE CC1(C)CCC[C@@H]([C@H](Br)c2cc(Br)ccc2OCc2ccccc2)O1 2314445376 OSSQYYKZUQFCLK-VQTJNVASSA-N 468.229 6.812 50 10 JKGE Brc1cc(OCc2ccccc2)ccc1[C@H](Br)CC[C@H]1CCCCO1 2314499394 CCLLSGNBLYIGQQ-YLJYHZDGSA-N 468.229 6.813 50 10 JKGE CC1CC(C)([C@@H](Br)c2c(Cl)cc(Br)c(F)c2Br)C1 2315461171 QTHUMENAFPGTTN-BZCBFNEHSA-N 463.410 6.876 50 10 JKGE CCOc1ccc(Br)cc1[C@H](Br)c1cnsc1Br 2315625116 JBVBVYNJZJTRJD-NSHDSACASA-N 455.997 5.551 50 10 JKGE COc1ccccc1C(C#N)=Cc1ccc(OC(=O)[C@@H](C)Oc2ccc(Cl)cc2Cl)cc1 2320507387 WRAOXKCWKIPISQ-MRXNPFEDSA-N 468.336 6.439 50 10 JKGE Cc1nc(-c2ccc(Cl)c(Cl)c2)ccc1C(=O)NNC(=O)C=Cc1ccc(Cl)cc1 2321176193 VPVSCSUMTZXFCM-UHFFFAOYSA-N 460.748 5.492 50 10 JKGE N#CC(=CNc1ccc(Cl)cc1)C(=O)N1CCN(C(c2ccccc2)c2ccccc2)CC1 2324602984 LUNLSDCARMJXQH-UHFFFAOYSA-N 456.977 5.093 50 10 JKGE CC(C)(C)CN(CCBr)Cc1ccc(I)c(Br)c1 2325214924 UBFDTSXILCTZDT-UHFFFAOYSA-N 489.033 5.297 50 10 JKGE Cc1ccccc1COc1ccccc1C=NNC(=O)CCCCCNC(=O)OC(C)(C)C 2328835255 XNBVIYFFOLHRBX-UHFFFAOYSA-N 453.583 5.109 50 10 JKGE Cc1cc(C)c(C)c(-c2csc(C(C#N)=C(O)c3ccccc3C(=O)c3ccccc3)n2)c1C 2331364587 NLKROFMKANUDOT-UHFFFAOYSA-N 464.590 7.225 50 10 JKGE CCN(Cc1ccccc1)c1ccc(C=C(C#N)c2nc(-c3ccc4ccccc4c3)cs2)cc1 2331417108 ZWVKMUIIFBQWDY-UHFFFAOYSA-N 471.629 8.054 50 10 JKGE CCOc1ccc(-c2csc(C(C#N)=Cc3cc(Br)c(OC(C)C)c(OC)c3)n2)cc1 2331441032 OLEUCUBGFJTKFJ-UHFFFAOYSA-N 499.430 6.831 50 10 JKGE FC1(F)C[C@@H]([C@@H](Br)c2cc(Br)ccc2OCc2ccccc2)C12CCC2 2336052772 DDRSNDQCGABGBL-HKUYNNGSSA-N 486.194 7.290 50 10 JKGE Cc1ccc([C@@H](Br)c2cc(Br)ccc2OCc2ccccc2)c(F)c1F 2336075179 MWOUCLXKONNVRY-LJQANCHMSA-N 482.162 7.099 50 10 JKGE Cc1cc(Br)c(F)c(Br)c1[C@@H](Br)C12CC(CCO1)C2 2339649727 YGAPPKSSSAEKRL-FEUBCLPYSA-N 456.975 5.664 50 10 JKGE C[C@@H](c1ccncc1F)[C@@H](Br)c1cccc(Br)c1Br 2344699907 WVVSESDRIBEVBY-ISVAXAHUSA-N 451.959 5.985 50 10 JKGE Fc1cc([C@H](Br)c2ccc(Br)cc2Br)c(Cl)cc1Cl 2351643044 REXOYEIVIHHRBO-CYBMUJFWSA-N 491.807 7.142 50 10 JKGE Fc1cc([C@@H](Br)c2c(F)cc(Cl)c(Br)c2Cl)ccc1Cl 2360424224 QQZSVHBREZARHU-LLVKDONJSA-N 465.346 7.172 50 10 JKGE COc1ccc(CCO[C@@H]2CCCCC[C@H]2I)c(Br)c1 2364692621 DYWUEEZSRCDKEA-HZPDHXFCSA-N 453.158 5.153 50 10 JKGE COc1c(Br)cc(C)c([C@H](Br)[C@H]2C[C@]2(C)C(F)F)c1Br 2365194127 OJNUBOSRQXNIHK-LXORQNMDSA-N 476.981 6.256 50 10 JKGE Clc1cc(CN2C[C@H]3CC(CBr)C[C@@H](C3)C2)ccc1I 2368393033 NINYQFXSSBLVMG-KBPBESRZSA-N 468.604 5.188 50 10 JKGE CSc1sc(C)cc1[C@@H]1C(C#N)=C(N)N(c2cccc(Br)c2)C2=C1C(=O)CCC2 9981607 ANFHBKGHYORBBO-LJQANCHMSA-N 486.460 5.846 50 10 JKGE CC(C)(C)c1ccc(OCC(=O)NNC(=O)COc2ccc(-c3ccccc3)cc2)c(C(C)(C)C)c1 14661753 RMGDMISQDZQFHU-UHFFFAOYSA-N 488.628 5.554 50 10 JKGE CCc1cccc(CC)c1N/C(SCc1cccc(Cl)c1)=C(/C#N)S(=O)(=O)c1ccccc1 20325462 DWAQWGVIZBLFJE-SHHOIMCASA-N 497.085 6.977 50 10 JKGE CCCCCOC(=O)c1ccc(NC(=O)/C(C#N)=C\c2ccc(OC(=O)c3ccccc3)cc2)cc1 33563225 FJFCIWMOJBMEER-CLCOLTQESA-N 482.536 5.798 50 10 JKGE N#C/C(=C/c1ccc(N2N=C(c3ccccc3)C[C@H]2c2ccccc2)cc1)c1nc2ccccc2[nH]1 33568777 JPIKBXUHKUNOIU-YOAKOGDNSA-N 465.560 6.983 50 10 JKGE CCN(CC)CCOC(=O)c1ccc(N/C=C(\C#N)c2nc(-c3ccc(OC)cc3)cs2)cc1 33681151 YDFYLHUTCXYQNI-HEHNFIMWSA-N 476.602 5.294 50 10 JKGE CCc1ccc(Oc2nc3ccccn3c(=O)c2/C=C(/C#N)C(=O)Nc2ccc(C)c(C)c2)cc1 39858649 QCBLNCNMPZLPKF-PGMHBOJBSA-N 464.525 5.212 50 10 JKGE Cc1ccccc1C(=O)Oc1ccc2c(c1)OC(N)=C(C#N)[C@@H]2c1cccc(OCCC(C)C)c1 40529958 SZDUVXUPLIOPFS-HHHXNRCGSA-N 468.553 5.857 50 10 JKGE O=C(NNc1ncnc(Nc2ccc(Cl)c(C(F)(F)F)c2)c1[N+](=O)[O-])c1ccc(Cl)cc1 40657822 PEGZGPOSVVPVHY-UHFFFAOYSA-N 487.225 5.211 50 10 JKGE CCOc1cc(/C=N/NC(=O)CSc2nc(-c3ccccc3)cs2)ccc1OC(C)C 40924597 YFXAXLKRIMYLGT-ZMOGYAJESA-N 455.605 5.238 50 10 JKGE CC(C)NC(=O)/C(C#N)=C/c1cc(Br)ccc1OCc1ccc(Cl)c(Cl)c1 59281809 DSOZTMOUPGDUOR-OVCLIPMQSA-N 468.178 5.766 50 10 JKGE C=CCc1cc(/C=N/NC(=O)c2cc3ccccc3o2)ccc1OCc1ccc2c(c1)OCO2 59304162 MYLTUMPBXCXQPO-RWPZCVJISA-N 454.482 5.233 50 10 JKGE CCCCCCCc1ccc(C(=O)NNC(=O)c2ccc(C3CCC(CCCCC)CC3)cc2)cc1 97997773 ZSXGHHYHEDQQJX-UHFFFAOYSA-N 490.732 8.128 50 10 JKGE CCOc1ccc(NC(=O)/C(C#N)=C\c2c(Oc3ccc(C)cc3)nc3c(C)cccn3c2=O)cc1 102846213 VJJOJNBSINYXCK-SILNSSARSA-N 480.524 5.048 50 10 JKGE CC1=C(/C=C/C(C)=C\C[P+](c2ccccc2)(c2ccccc2)c2ccccc2)C(C)(C)CCC1 111483548 UJUZVVSRNMBGRO-LVLPOLCMSA-N 465.641 8.010 50 10 JKGE COc1ccc(Br)cc1C[C@H](CBr)c1cccc(Br)c1 118859258 ZANVKSOFGLROKS-CYBMUJFWSA-N 463.007 5.941 50 10 JKGE COc1c(C)cc(Br)c(C)c1[C@H](Br)c1ccc(F)cc1Br 125683698 MRQDLOFNOWKQCZ-OAHLLOKOSA-N 480.997 6.460 50 10 JKGE Cl[C@H](c1ccc(I)cc1)c1csc2c(Br)cccc12 163375124 CIBSDFCDWRFORM-CQSZACIVSA-N 463.565 6.597 50 10 JKGE COc1cc(Br)c(Oc2ccc(CBr)cc2C)cc1Br 218337681 LRIBBFIZPNWTMD-UHFFFAOYSA-N 464.979 6.216 50 10 JKGE COc1cc(F)c(Br)cc1[C@H](Br)c1cc(F)cc(Br)c1 234913352 JNRGGMLLFUHXNV-CQSZACIVSA-N 470.933 5.983 50 10 JKGE COc1ccc(-n2c(SCC(=O)NN=C(C)c3ccc(F)cc3)nnc2-c2ccc(C)cc2)cc1 254291412 XZTQRVVIJXEQBM-UHFFFAOYSA-N 489.576 5.023 50 10 JKGE Cc1ccc(C(C)C)cc1OCC(=O)NN=Cc1ccc(OC(=O)/C=C\c2ccccc2)cc1 254872077 PSPNMNDTDGIVHK-FJHHVUJOSA-N 456.542 5.266 50 10 JKGE CC1CCC(CC(CBr)(CBr)c2ccc(Br)cc2)CC1 380704403 OIYKZYSCRJMZOU-UHFFFAOYSA-N 467.083 6.693 50 10 JKGE O=C(OCc1ccccc1)N1C[C@@H](CBr)[C@@H](c2cc(F)ccc2Br)C1 382694880 SZZFLUMDLPZSGO-PBHICJAKSA-N 471.164 5.335 50 10 JKGE Cn1ncc([C@H](Cl)c2scc(C(F)(F)F)c2Br)c1I 394362508 QASGAVAJUGBAKF-ZETCQYMHSA-N 485.494 5.196 50 10 JKGE Cc1oc(Br)cc1[C@H](Cl)c1cc(I)cc2c1OCC2 396590486 LXBILLXJTLQYOQ-ZDUSSCGKSA-N 453.501 5.218 50 10 JKGE FC(F)C(F)(F)CC(CBr)(CBr)c1cccc(Br)c1 400631708 NHWVKXVEZLRWQU-UHFFFAOYSA-N 470.924 5.767 50 10 JKGE CC(C)(C)[Si](C)(C)OCCc1ccccc1[C@@H]1CN(S(=O)(=O)c2ccccc2)CCO1 616603384 NSTFVXMBYWVUNO-QHCPKHFHSA-N 461.700 5.013 50 10 JKGE CC(C)(C)OC(=O)Nc1ccc([C@@H]2CCN(CCO[Si](C)(C)C(C)(C)C)CCO2)cc1 616665843 ZUGAYNDQPWLQRR-NRFANRHFSA-N 450.696 5.819 50 10 JKGE COCc1cc(Br)c([C@@H](Br)c2cc(Cl)cc(Br)c2)s1 688150231 ZGAIKVBELGUNKN-LBPRGKRZSA-N 489.454 6.557 50 10 JKGE Cc1cc(Br)c([C@H](Cl)c2nn(C)cc2Br)cc1Br 693106487 IVMHVKAUHUDBJP-NSHDSACASA-N 457.391 5.344 50 10 JKGE Cc1cc(C=NNC(=O)CCSc2ccc(Cl)cc2)c(C)n1-c1ccc(Br)cc1 725441856 NJGSOKZVAJFXSU-UHFFFAOYSA-N 490.854 6.143 50 10 JKGE CCCCOc1ccc(C=NNC(=O)c2ccc(CSc3ccc(Cl)cc3)cc2)cc1 1084021475 HJQSOLGXYPCDOT-UHFFFAOYSA-N 453.007 6.575 50 10 JKGE O=C(NN=Cc1ccc(OCc2ccccc2)cc1)NN=Cc1ccc(OCc2ccccc2)cc1 1084257299 SCEOZXTYLCEPTB-UHFFFAOYSA-N 478.552 5.512 50 10 JKGE O=C(CCC(=O)Nc1ccc(Cl)cc1Cl)NN=Cc1cccc(OCc2ccccc2)c1 1084268801 WDRQPECMEIWRMX-UHFFFAOYSA-N 470.356 5.441 50 10 JKGE O=C(CC[C@@H](O)c1ccccc1)NN=Cc1cn(Cc2ccc(Cl)cc2Cl)c2ccccc12 1084492020 CRPBYGJQPPFVNY-RUZDIDTESA-N 480.395 5.960 50 10 JKGE Cc1ccc(NC(=O)/C(C#N)=C\c2ccccc2OCc2ccc(Cl)cc2Cl)cc1C 1084563248 JOLGXFVQHBUWMS-NDENLUEZSA-N 451.353 6.735 50 10 JKGE CCOP(=O)(OCC)/C(C#N)=C\[C@H]1[C@@H](C(=O)OCc2cc3c(cc2Cl)OCO3)C1(C)C 1614949335 GJXYBBNLDJLWJR-BNJGRNAASA-N 469.858 5.058 50 10 JKGE CCN(C(=O)c1oc2c(c1C)C(=NNC(=O)c1cccc3ccccc13)CCC2)c1cccc(C)c1 1772748636 SDSOEMLKDFWDRL-UHFFFAOYSA-N 479.580 6.187 50 10 JKGE Cc1ccccc1C(=O)NN=C1C(=O)N(Cc2ccc(Cl)cc2)c2ccc(Br)cc21 1772752237 BNRHFYXKIUOCCJ-UHFFFAOYSA-N 482.765 5.092 50 10 JKGE COc1ccc(C=NNC(=O)CSc2nc(-c3ccc(Cl)cc3)cs2)cc1Br 1772754943 BFUVANPLICNZII-UHFFFAOYSA-N 496.839 5.477 50 10 JKGE CCCn1nc(C)c2c1OC(N)=C(C#N)[C@H]2c1ccc(OCc2ccc(C)cc2)c(OCC)c1 1865689076 JHTKPOURBZYONV-RUZDIDTESA-N 458.562 5.106 50 10 JKGE Cc1ccc(COc2ccc([C@@H]3C(C#N)=C(N)Oc4c3c(C)nn4-c3ccc(Cl)cc3)cc2)cc1 1865692908 JTGZDJOVCSDMFU-AREMUKBSSA-N 482.971 5.940 50 10 JKGE COc1ccc(-c2nn(-c3ccc(Cl)c(Cl)c3)c3c2[C@H](c2ccco2)C(C#N)=C(N)O3)cc1 1865697892 DYPMJWBNYIKTQC-FQEVSTJZSA-N 479.323 5.666 50 10 JKGE Cc1ccsc1[C@@H]1C(C#N)=C(N)Oc2c1c(C(F)(F)F)nn2Cc1ccc(Cl)c(Cl)c1 1865699201 NLJMRSZDDGGUCX-CQSZACIVSA-N 485.318 5.845 50 10 JKGE CCc1ccc([C@@H]2C(C#N)=C(N)Oc3c2c(-c2ccccc2)nn3-c2ccc(Cl)c(Cl)c2)cc1 1865709124 OISCJLQAGXVHFR-HSZRJFAPSA-N 487.390 6.627 50 10 JKGE CCc1nn(-c2ccc(Cl)c(Cl)c2)c2c1[C@H](c1ccc(C(F)(F)F)cc1)C(C#N)=C(N)O2 1865711432 YJDMURFBRHKTMZ-GOSISDBHSA-N 479.289 5.978 50 10 JKGE COc1cccc([C@H]2C(C#N)=C(N)Oc3c2c(-c2ccccc2)nn3-c2cccc(Cl)c2)c1 1865711603 CHSZSAFRMMEYCL-QFIPXVFZSA-N 454.917 5.419 50 10 JKGE N#CC1=C(N)Oc2c(c(-c3ccccc3)nn2-c2ccccc2)[C@H]1c1cccc(OCc2ccccc2)c1 1865711941 LQXCDLUNANDRNI-NDEPHWFRSA-N 496.570 6.336 50 10 JKGE COc1ccc(-c2nn(-c3ccc(Cl)cc3)c3c2[C@H](c2ccccc2C)C(C#N)=C(N)O3)cc1 1865712772 HKINNZSHQHDYOZ-HSZRJFAPSA-N 468.944 5.728 50 10 JKGE Cc1nc(-c2ccc(Cl)cc2Cl)ccc1C(=O)NNC(=O)c1ccc(C(C)(C)C)cc1 1865759699 NLTVYOFLIIYCLD-UHFFFAOYSA-N 456.373 5.736 50 10 JKGE CCc1nc(Nc2ccc(SC#N)cc2)cc(N2CCc3ccccc3[C@H]2CCc2ccccc2)n1 1868277953 NSFHSGXCDBLKOK-HHHXNRCGSA-N 491.664 7.092 50 10 JKGE CC(C)[C@H]1c2ccccc2CCN1c1cc(Nc2ccc(SC#N)cc2)nc(C(C)(C)C)n1 1868342238 OYYWNAUEEQWOLY-VWLOTQADSA-N 457.647 6.851 50 10 JKGE Cc1cccc(N(Cc2cccnc2)c2cc(Nc3ccc(SC#N)cc3)nc(C(C)(C)C)n2)c1 1868342402 USUSEOVAXCREQV-UHFFFAOYSA-N 480.641 7.133 50 10 JKGE CC(C)C[C@@H](/C(O)=C(\C#N)c1nc(-c2ccc3c(c2)CCCC3)cs1)N1C(=O)c2ccccc2C1=O 1872745278 FTSKBNZMVIREQZ-RITGCEONSA-N 497.620 6.192 50 10 JKGE CC(C)(C)c1ccc(C(=O)NC/C(O)=C(\C#N)c2nc(-c3ccc4c(c3)OCO4)cs2)cc1 1872752767 QZUPVIMNWMZRDO-ZZEZOPTASA-N 461.543 5.059 50 10 JKGE C=CCOc1ccccc1OC/C(O)=C(\C#N)c1nc(-c2cc(Cl)c(OC)c(Cl)c2)cs1 1872755807 HEJCVAZPGVMOOX-CYVLTUHYSA-N 489.380 6.562 50 10 JKGE Cc1cc(C)c(-c2csc(/C(C#N)=C(\O)[C@@H](C(C)C)N3C(=O)c4ccccc4C3=O)n2)c(C)c1 1872757291 YTIMDYKPMRIAAW-ULRLVEHFSA-N 471.582 5.849 50 10 JKGE CC1(C)COc2c([C@@H](Br)C3CC(Br)C3)cc(Br)cc21 1887736020 MESNTJOMPLWFKZ-RPTIHFLNSA-N 453.012 5.729 50 10 JKGE Cl[C@H](c1cc(Br)sn1)c1sc(Br)cc1Br 1909888871 ITJPRPKHKKNJBO-SSDOTTSWSA-N 452.418 5.820 50 10 JKGE C[C@@H](CCn1c(CCCl)nc2c(Br)cc(F)cc21)N(C)Cc1ccccc1 1912692628 KQUGQSKDEUXUIN-HNNXBMFYSA-N 452.799 5.630 50 10 JKGE O=S(=O)(c1ccc(N(Cc2ccccc2)C2(CBr)CCC2)cc1)C(F)(F)F 1915765803 POQYVEZYWDFQFO-UHFFFAOYSA-N 462.331 5.304 50 10 JKGE Cc1c(Br)sc([C@H](Br)[C@H]2Cc3ccccc32)c1Br 1922944890 ANXRLQFJXHNGGY-CMPLNLGQSA-N 451.021 6.357 50 10 JKGE FC(F)(F)c1ccc([C@H](Cl)c2c(Br)sc(Br)c2Cl)o1 1923038695 KAOSDCADSMXBAW-LURJTMIESA-N 458.908 6.867 50 10 JKGE CC(C)C[C@@H]1C[C@H]1[C@H](Br)c1c(Br)sc(Br)c1Cl 1923047761 CXGNYFVLUVQXOH-BHNWBGBOSA-N 465.476 7.045 50 10 JKGE CCn1ncc(Br)c1[C@H](Br)c1cc(Cl)c(Br)s1 1945454106 KHTQKKHAQKHHAH-MRVPVSSYSA-N 463.420 5.627 50 10 JKGE CC12CC([C@@H](Cl)c3c(Br)sc(Br)c3Br)(CO1)C2 1950600225 VVDQBAKVZVZOFF-ARTQYDKTSA-N 465.432 5.885 50 10 JKGE CC(C)[C@@H](CBr)N(Cc1ccccc1)Cc1ccc(Cl)c(Br)c1 1979518307 SVGWGXOCJSEWAF-LJQANCHMSA-N 459.653 6.524 50 10 JKGE C[C@H]1CN(c2cc(Br)cc(F)c2CBr)CCN1Cc1ccccc1 2004046284 WQKRSUXMTPWHMJ-AWEZNQCLSA-N 456.197 5.194 50 10 JKGE CO[C@@H]1CC[C@@H]([C@@H](Br)c2c(Br)sc(Br)c2Cl)C1 2006339781 GJBITQVBZLDYGT-ATRFCDNQSA-N 467.448 6.178 50 10 JKGE Brc1cc([C@H](Br)c2cc3ncccc3s2)sc1Br 2046391835 PKQOQPRVEKBBEM-NSHDSACASA-N 468.033 6.367 50 10 JKGE C[C@@]1([C@H](Cl)c2c(Br)sc(Br)c2Br)CCCC1(F)F 2048965768 BKXMPPTVMVHGAO-XCBNKYQSSA-N 487.429 7.141 50 10 JKGE C[C@@]1([C@@H](Br)c2cc(Br)c(Br)s2)CCCC(F)(F)C1 2068383530 IOXXVYLRSVLEDC-GXSJLCMTSA-N 467.011 6.925 50 10 JKGE CC1(C)[C@H](Br)CCCN1C(=O)c1cc(Br)sc1Br 2076214791 ROQATATWLSKOTD-MRVPVSSYSA-N 460.029 5.051 50 10 JKGE COc1cc(F)c([C@H](Br)c2cscc2Br)cc1Br 2082790127 YQYGPXSRPSOCJC-LBPRGKRZSA-N 458.972 5.905 50 10 JKGE COc1c(Cl)cc(Br)cc1[C@@H](Cl)c1csc(I)c1 2082865925 LLELZHWTDYVELN-NSHDSACASA-N 477.976 6.105 50 10 JKGE Clc1ccccc1[C@@H](CBr)Cc1ccc(Br)cc1Br 2092260088 DGZKNZLYZZELMT-LLVKDONJSA-N 467.426 6.586 50 10 JKGE Fc1ccc([C@@H](Br)c2cccc(Br)c2Br)c(F)c1Cl 2092335479 NSKIBRQYDNGNDJ-JTQLQIEISA-N 475.352 6.628 50 10 JKGE BrC[C@@H](NCc1c(Br)cccc1Br)C1CCCCC1 2094102670 RTMMHIGUGQIILJ-OAHLLOKOSA-N 454.044 5.645 50 10 JKGE Clc1ccc(I)c(C[C@]2(CBr)CC23CCCCC3)c1 2100462950 LUMGFEGINZHLIQ-MRXNPFEDSA-N 453.589 6.223 50 10 JKGE COc1ccc([C@@H](Br)c2c(Br)sc(C)c2C)cc1Br 2101003886 PGKZRYLEUPIDJE-CYBMUJFWSA-N 469.036 6.383 50 10 JKGE ClCCc1nc2cc(Br)c(Cl)cc2n1[C@@H]1CCN(Cc2ccccc2)C1 2103625389 WNDDDKVXQCAMRB-OAHLLOKOSA-N 453.211 5.681 50 10 JKGE Cc1c(Br)sc([C@@H](Br)C[C@H](C(F)F)C(C)(C)C)c1Br 2111372825 BRZYZNQNCBRYJU-SFYZADRCSA-N 483.054 7.335 50 10 JKGE CN(Cc1cccc(Br)c1Br)C1CCC(CBr)CC1 2114664683 HVMIOYJYEMCNMH-UHFFFAOYSA-N 454.044 5.597 50 10 JKGE Brc1cccc(Br)c1CN1C[C@H](Br)CCC12CCC2 2117904436 RJCGUCMTHAVYBU-LLVKDONJSA-N 452.028 5.494 50 10 JKGE C[C@@H]1Cc2cc(Br)cc([C@@H](Br)c3cc(Br)sn3)c2O1 2120034827 ZWVBOBWXMMNDFY-SREIQFSDSA-N 468.008 5.476 50 10 JKGE Cc1cc(Cl)c(Br)cc1[C@H](Br)c1c(C)cccc1Br 2137643567 TUWKOKSGBWACPH-HNNXBMFYSA-N 467.426 6.966 50 10 JKGE CC1(C)[C@H]2CC[C@@H](C2)[C@H]1[C@H](Br)c1ccc(Br)cc1Br 2138867469 RTPMTHDJRYBKNI-FCIDVOKBSA-N 451.040 6.720 50 10 JKGE C[C@H]1Cc2cc([C@@H](Cl)c3ccccc3I)cc(Br)c2O1 2146617524 ZJILLLOGVAFLIS-BJOHPYRUSA-N 463.540 5.705 50 10 JKGE C[C@H]1CC(COc2c(Br)cc(Br)cc2CBr)C[C@H](C)C1 2149163186 QRQFFKMNXIAEHF-GHMZBOCLSA-N 469.055 6.558 50 10 JKGE BrCc1ccc(Br)cc1N1C[C@]23CCC[C@@]2(CN(Cc2ccccc2)C3)C1 2153341389 OZYFUUSYHDMFSD-DHIUTWEWSA-N 490.283 5.837 50 10 JKGE Fc1cc(Oc2c(CCl)ccc(Br)c2Cl)c(Br)cc1Cl 2154354847 AOUBNKFHLFIAQV-UHFFFAOYSA-N 463.355 7.189 50 10 JKGE Cc1sc(Br)cc1[C@@H](Br)c1cc(Br)cc(C(F)(F)F)c1 2172411654 GEOVJDAICLDIMA-LBPRGKRZSA-N 492.980 7.085 50 10 JKGE O=C(c1cc(Br)c(Br)s1)N1C[C@@H](CBr)C2(CCCC2)C1 2175224390 LLUYBLLUYKKBDN-SECBINFHSA-N 486.067 5.300 50 10 JKGE O=C(NCC[C@H]1CCCC[C@H]1Br)c1cc(Cl)ccc1I 2179638567 XPCWTCSXTCRZSV-ZWNOBZJWSA-N 470.576 5.018 50 10 JKGE BrCc1cc(Br)c(OC[C@H]2C[C@]23CCCOC3)c(Br)c1 2198178841 JBGWGJCZHIKEQL-ABAIWWIYSA-N 469.011 5.302 50 10 JKGE COc1c(C)cc(Br)cc1[C@@H](Cl)c1cc(I)ccc1F 2206581156 VNJHIVNXPJTKFW-AWEZNQCLSA-N 469.519 5.838 50 10 JKGE CCN(C[C@@](C)(CI)OCCCCC(F)(F)F)C(=O)OC(C)(C)C 2216439268 OYCFTXTUDOHURM-OAHLLOKOSA-N 467.310 5.186 50 10 JKGE Cc1nn(C)c([C@H](Br)c2cc(Br)sc2Br)c1Cl 2217406706 RSYHCUHTDFZJSC-SSDOTTSWSA-N 463.420 5.453 50 10 JKGE Cc1cc(Br)c([C@H](Br)c2ccc(Cl)o2)c(C)c1Br 2220146846 HJVXIXATZFJDJZ-CYBMUJFWSA-N 457.387 6.559 50 10 JKGE Cc1cc(Br)c([C@@H](Br)c2sccc2F)c(C)c1Br 2220152531 UCYGHMVXFLCZSK-GFCCVEGCSA-N 457.000 6.513 50 10 JKGE C[C@@H]1C[C@H](C[C@@H](Br)c2c(Br)cc(Cl)c(Cl)c2Cl)CO1 2224301603 BYKWVNZUYHBGQB-BWZBUEFSSA-N 451.413 6.660 50 10 JKGE Cc1ccc([C@H](Br)c2c(Cl)sc(Br)c2Cl)c(F)c1F 2231339908 GAVWLHIAESHGSP-ZETCQYMHSA-N 450.957 6.888 50 10 JKGE Cc1cc(Br)c([C@H](Br)c2c(C)cccc2Br)c(C)c1Cl 2232527348 CQFHHZWGCVRDKC-OAHLLOKOSA-N 481.453 7.275 50 10 JKGE Brc1cccc(Br)c1CN1C[C@@H](Br)CC12CCCCC2 2241055454 WNUQAUBBIUIRGG-LBPRGKRZSA-N 466.055 5.884 50 10 JKGE CC(C)(CBr)N(Cc1ccccc1)c1nc2ccc(Br)cc2s1 2246318592 JYTFVWOEQPDOSL-UHFFFAOYSA-N 454.231 6.239 50 10 JKGE Fc1cc([C@@H](Br)c2ccc(Br)s2)c(Cl)cc1Br 2247999690 OSRWDXGFQOBJIB-LLVKDONJSA-N 463.391 6.550 50 10 JKGE COC[C@]1(C)C[C@H]1[C@@H](Cl)c1c(Br)sc(Br)c1Br 2248733476 IMWKXRYUBHOKLH-GRBNSJTCSA-N 467.448 5.988 50 10 JKGE Cc1sc([C@@H](Br)c2ccc(Br)c(Cl)c2)c(Br)c1C 2253505712 SJQCDNDOQKDCKH-LBPRGKRZSA-N 473.455 7.028 50 10 JKGE Fc1cc(Br)c(F)c(Br)c1[C@@H](Cl)c1cc(Br)sn1 2260071687 WVLXJHVBRKZHLA-VIFPVBQESA-N 482.369 6.037 50 10 JKGE C[C@H](Br)CN(CCC(C)(C)C)C(=O)c1csc(I)c1 2272428124 HZCORHKBVHWFEP-JTQLQIEISA-N 458.203 5.015 50 10 JKGE Fc1cc(Br)c(F)c(Br)c1[C@H](Br)[C@H]1C[C@]12CCOC2 2272722345 SBHBJYBEGDPCPJ-RMCLDHHASA-N 460.938 5.352 50 10 JKGE COc1c([C@@H](Br)c2cc3sc(Br)cc3s2)csc1Cl 2278096487 LMOQJTRXOOUTNC-SNVBAGLBSA-N 458.649 6.933 50 10 JKGE COc1ccc([C@H](Br)Cc2cccc(Br)c2)c(Br)c1Cl 2283564553 UOKNZEKPMZUXQF-GFCCVEGCSA-N 483.425 6.552 50 10 JKGE CC1(C)COc2c([C@@H](Br)c3cc(Br)co3)cc(Br)cc21 2285987843 OYCANWCXLQNAKZ-CYBMUJFWSA-N 464.979 5.959 50 10 JKGE Cc1cc(Cl)c(Cl)cc1[C@@H](Br)c1cc(Cl)c(Br)cc1F 2286505047 RALHQIUFLUHIHI-CQSZACIVSA-N 461.383 7.341 50 10 JKGE Fc1cc(Br)cc(F)c1CO[C@H]1CCCCCC[C@@H]1I 2287166677 ALIIZRRXUYKIPZ-GJZGRUSLSA-N 459.112 5.770 50 10 JKGE CC(C)[C@@H]1CCC[C@@H]1[C@H](Br)c1c(F)cc(Br)c(F)c1Br 2288483646 MVVRRUPXSVEDOG-RVBZMBCESA-N 475.009 6.998 50 10 JKGE Fc1cc(Br)c(F)c(Br)c1[C@H](Br)C[C@H]1CCC12CCC2 2288484302 RBMUJWKXFZCJBX-RKDXNWHRSA-N 472.993 6.896 50 10 JKGE Cc1ccc(N2C(=O)[C@@H](Cc3ccccc3Cl)SC2=C(C#N)C(=O)NCc2ccccc2)cc1 2293038485 GNMXMVJQJIXGAG-XMMPIXPASA-N 488.012 5.391 50 10 JKGE CCCOc1ccc(C=C(C#N)C(=O)Nc2ncc(Cc3ccc(Br)cc3)s2)cc1 2293039092 BTFABNPKRVFUFL-UHFFFAOYSA-N 482.403 5.831 50 10 JKGE Fc1cc(Cl)c([C@H](Br)Cc2cc(Br)cc(Br)c2)cc1F 2295265939 XCOOJKIAZOTQKU-LLVKDONJSA-N 489.379 6.822 50 10 JKGE FC1(F)CCC[C@@H]2[C@H]([C@H](Br)Cc3cc(Br)cc(Br)c3)[C@H]21 2295332554 YHLPLMIRKQLJGW-SYQHCUMBSA-N 472.993 6.199 50 10 JKGE Cc1ccc(C[C@@H]2SC(=C(C#N)C(=O)Nc3ccccc3Cl)N(c3ccccc3)C2=O)cc1 2296506814 GJTZINGSABFQQO-QHCPKHFHSA-N 473.985 5.713 50 10 JKGE Cc1c(Cl)cccc1NC(=O)C(C#N)=Cc1cn(CC(=O)NCc2ccco2)c2ccccc12 2296659720 VBLFMHNDXPZZTM-UHFFFAOYSA-N 472.932 5.058 50 10 JKGE N#CC(C(=O)NCCc1ccccc1)=C1S[C@@H](Cc2ccccc2)C(=O)N1c1ccc(Cl)cc1 2296834995 KTLGVDOVRJBEPI-DEOSSOPVSA-N 488.012 5.125 50 10 JKGE COc1cc(C=C(C#N)c2ccc(C(=O)O)cc2)ccc1OCc1ccc(Cl)c(Cl)c1 2297379859 DOTPTKCQVSFUOC-UHFFFAOYSA-N 454.309 6.343 50 10 JKGE Brc1cc(OCc2ccccc2)ccc1[C@H](Br)[C@@H]1C[C@H]2C[C@H]2CO1 2299488382 GBKYKWAYQHOUHH-QBTDHISASA-N 452.186 5.889 50 10 JKGE CC1(C)CCC[C@H]1[C@@H](Br)c1ccc(OCc2ccccc2)cc1Br 2299498201 UDSQSTQMADZMPL-ICSRJNTNSA-N 452.230 7.290 50 10 JKGE FC(F)[C@@H]1CCc2c(OCc3ccccc3)ccc(Br)c2[C@H](Br)C1 2299526636 ZTKLAUODAOWZOT-CZUORRHYSA-N 460.156 6.682 50 10 JKGE CC(C)([C@@H](Br)c1cc(Br)ccc1OCc1ccccc1)S(C)(=O)=O 2299534548 FEIWWJQSXXMXJF-KRWDZBQOSA-N 476.230 5.287 50 10 JKGE CC1(C)C[C@H](Br)[C@@H](Cc2ccc(I)c(Br)c2)C1 2306199960 RTDDKEAXQIFDHL-JQWIXIFHSA-N 472.002 5.796 50 10 JKGE CCOc1ccc(NC(=O)C(C#N)=Cc2ccc(-c3ccc(Br)cc3C)o2)cc1 2313549390 VBDPKUUATCFZCX-UHFFFAOYSA-N 451.320 5.962 50 10 JKGE CCOC(=O)c1ccc(-n2c(-c3ccccc3)cc(C=C(C#N)C(=O)N(C)C)c2-c2ccccc2)cc1 2313568321 UQYWSMLXHFBEKN-UHFFFAOYSA-N 489.575 5.983 50 10 JKGE COc1cc(Br)cc(C=C(C#N)C(=O)Nc2cccc(Cl)c2Cl)c1OC 2313570746 FJNYOAMNZRETJU-UHFFFAOYSA-N 456.123 5.319 50 10 JKGE FC(F)(F)[C@@H]1CC[C@@H]1[C@@H](Br)c1cc(Br)ccc1OCc1ccccc1 2314443764 ICYLIVGOWCTDMB-YXJHDRRASA-N 478.146 7.053 50 10 JKGE Fc1ccc([C@@H](Cl)c2cc(Br)ccc2OCc2ccccc2)cc1Br 2314447717 BEOVGDLAAXLQHY-HXUWFJFHSA-N 484.590 7.258 50 10 JKGE Fc1ccccc1C[C@@H](Br)c1cc(Br)ccc1OCc1ccccc1 2314448290 GPRHTSDGVCWHHC-LJQANCHMSA-N 464.172 6.846 50 10 JKGE CC1(C)CCCC[C@H]1[C@H](Br)c1cc(Br)ccc1OCc1ccccc1 2314448567 IZDLOFOSQYKRDU-PZJWPPBQSA-N 466.257 7.681 50 10 JKGE Fc1ccc([C@@H](Cl)c2ccc(OCc3ccccc3)cc2Br)cc1Br 2314452289 LQACVXXOXHPWHK-HXUWFJFHSA-N 484.590 7.258 50 10 JKGE CCOc1ccc(N2C(=O)[C@@H](Cc3cccc(C)c3)SC2=C(C#N)C(=O)Nc2ccc(C)cc2)cc1 2314592456 UJBZWMYMMNDLHZ-AREMUKBSSA-N 497.620 5.767 50 10 JKGE C[C@@H]1CCO[C@@H]1[C@@H](Br)c1c(Cl)cc(Br)c(F)c1Br 2315449846 VMFAFBLULINQQJ-DNQXCHIJSA-N 465.382 5.865 50 10 JKGE CC1(C)CCC[C@@H]([C@@H](Br)c2sc(Cl)cc2I)CC1 2316604786 CLBKPLNTTPYFRN-BXKDBHETSA-N 461.634 7.049 50 10 JKGE Cc1c(Cl)cc([C@H](Cl)c2sc(Cl)cc2I)cc1Br 2316766178 DSIOHSZLNKJRIV-NSHDSACASA-N 496.422 7.059 50 10 JKGE FC[C@@]12CC[C@@]([C@H](Br)c3sc(Cl)cc3I)(CO1)C2 2316770406 NWWCQYWAESXBQH-WOPDTQHZSA-N 465.553 5.351 50 10 JKGE CC[C@H](Br)CN(Cc1ccccc1)C(=O)Cc1ccc(OC)cc1Br 2316806283 ZLGMRKMZLVHMDB-KRWDZBQOSA-N 469.217 5.203 50 10 JKGE Cc1cc(C(=O)N[C@H](CCBr)COCc2ccccc2)cc(C)c1Br 2320361774 UMZCYOIUZFLAQD-GOSISDBHSA-N 469.217 5.166 50 10 JKGE CCN(CC)S(=O)(=O)c1ccc(C(=O)Oc2cccc(C=C(C#N)c3ccccc3)c2)cc1 2320506689 PFYPBWDTZVDNEB-UHFFFAOYSA-N 460.555 5.000 50 10 JKGE COc1cc(C=NNC(=O)c2c(C)ccc3ccccc23)ccc1OCc1cccc(Cl)c1 2323675527 VODFVIQZGJUZBB-UHFFFAOYSA-N 458.945 6.153 50 10 JKGE COc1ccc(C=C(C#N)c2ccc(C(=O)OC(C)C)o2)cc1OCc1ccc(Cl)c(Cl)c1 2331049656 ALOYFGHENCVAJW-UHFFFAOYSA-N 486.351 6.803 50 10 JKGE CCCCc1ccc(-c2csc(C(C#N)=C(O)c3ccccc3I)n2)cc1 2331259544 UKWZANMOEKWSOP-UHFFFAOYSA-N 486.378 6.707 50 10 JKGE Cc1nc2ccc(C(O)=C(C#N)c3nc(-c4ccc(Br)cc4)cs3)cc2nc1C 2331260262 SBNKDAVTHVPCHL-UHFFFAOYSA-N 463.360 6.083 50 10 JKGE CSCC[C@H](C(O)=C(C#N)c1nc(-c2cc(C)ccc2C)cs1)N1C(=O)c2ccccc2C1=O 2331320103 INEQAUZMLZZKNE-JOCHJYFZSA-N 489.622 5.638 50 10 JKGE Cc1ccc(-c2csc(C(C#N)=C(O)c3cc(C(F)(F)F)cc(C(F)(F)F)c3)n2)cc1C 2331382788 ISDKOWFLLMRMKH-UHFFFAOYSA-N 468.422 7.414 50 10 JKGE COc1ccc(C=CC(O)=C(C#N)c2nc(-c3ccc(OC)c(OC)c3OC)cs2)c(OC)c1 2331412496 CHBMIHIGWYFEMX-UHFFFAOYSA-N 480.542 5.359 50 10 JKGE CCCCCOc1ccc(C=C(C#N)c2nc(-c3c[nH]c4ccccc34)cs2)cc1OCC 2331460092 KZPIGKIKUDWKPH-UHFFFAOYSA-N 457.599 7.323 50 10 JKGE COc1cc(F)cc([C@H](Br)c2cc(Br)ccc2OCc2ccccc2)c1 2336043185 CWMDNHRFLPCNLG-NRFANRHFSA-N 480.171 6.660 50 10 JKGE CCCC1CC([C@@H](Br)c2c(Cl)cc(Br)c(F)c2Br)C1 2337084626 NJFXLBQZIIOFCU-WZQIAMPNSA-N 477.437 7.266 50 10 JKGE FC(F)(F)c1cccc([C@H](Br)c2sc(Cl)cc2I)c1 2338774341 WZNGJUGUSKHWFM-JTQLQIEISA-N 481.502 6.509 50 10 JKGE COc1ccc(C[C@H](Br)c2sc(Cl)cc2Br)c(Br)c1 2338831601 OYBSSZLWNDKRIR-JTQLQIEISA-N 489.454 6.614 50 10 JKGE COc1c(Br)cc(C)c([C@@H](Br)[C@@H]2OCC[C@@H]2C)c1Br 2339656925 SJRIBKUAPRKXKQ-HOCOFYGGSA-N 457.000 5.390 50 10 JKGE C[C@@H](c1ccncc1Br)[C@H](Cl)c1ccc(Cl)cc1I 2340050146 NNDSBVLQLAKKLW-RTHLEPHNSA-N 470.963 6.186 50 10 JKGE Fc1cccc(Cl)c1C[C@H](Br)c1ccc(Cl)cc1I 2340059399 UYEQBFYRUAGEQT-NSHDSACASA-N 473.938 6.416 50 10 JKGE Cl[C@H]1C[C@H](Cc2ccc(I)c(Br)c2)CC2(CCC2)C1 2349780576 GPSCZXWRHJHQGN-STQMWFEESA-N 453.589 6.174 50 10 JKGE C=CC[C@@]1(CBr)CCCN1Cc1cc(I)ccc1Cl 2352429022 BTWOKTJCJCOLJQ-HNNXBMFYSA-N 454.577 5.250 50 10 JKGE Cc1cc(Br)c(C)c([C@@H](Br)[C@@H]2OC[C@@H]3CCC[C@@H]32)c1Br 2358467648 BURZAWNAYRMBAW-DPDCMNJDSA-N 467.039 6.080 50 10 JKGE Clc1ccc(C[C@@]2(CBr)C[C@H]3C=C[C@H]2CCC3)cc1I 2363965690 XNEIPCIYTKAKQE-SUYBPPKGSA-N 465.600 6.245 50 10 JKGE CCN(C[C@@](C)(CI)O[C@H]1CCOc2ccc(F)cc21)C(=O)OC(C)(C)C 2364533308 NXYQBLWIAOYXNL-FXAWDEMLSA-N 493.357 5.117 50 10 JKGE COc1c(Br)cc(C)c([C@H](Br)c2cc(Cl)n(C)n2)c1Br 2365192472 WDFVBIUELASQIV-LLVKDONJSA-N 487.417 5.400 50 10 JKGE COc1c(Br)cc(C)c([C@H](Br)C[C@@H]2CC[C@@H]2OC)c1Br 2365193688 KCZPBWZHLVYAAP-UMNHJUIQSA-N 471.027 5.780 50 10 JKGE COc1c(Br)cc(C)c([C@@H](Br)[C@H]2[C@H]3CCCC[C@H]32)c1Br 2365215457 KGWQGGPKJBQSCU-RDBQEKCUSA-N 467.039 6.401 50 10 JKGE Cc1cc(Br)c(F)c(Br)c1[C@H](Br)[C@H](C)C1CCCCC1 2365222403 CRSLGYCLLADHPJ-QMTHXVAHSA-N 471.046 7.312 50 10 JKGE COc1c(Br)cc(C)c([C@H](Br)c2cccc(C)c2)c1Br 2365232505 QMQIGKXXQREGNO-CQSZACIVSA-N 463.007 6.321 50 10 JKGE O=[N+]([O-])c1ccccc1C[C@H](Br)c1ccc(Cl)cc1I 2365588987 PUHWCVHPOWVLON-LBPRGKRZSA-N 466.500 5.532 50 10 JKGE CC(C)CO[C@H]1[C@@H](OCc2ccc(Cl)cc2I)C[C@H]1Br 2365636334 REHPFAMXHBAUAJ-VHDGCEQUSA-N 473.576 5.038 50 10 JKGE CC1CCC([C@H](CBr)NC(=O)c2cc(Br)sc2Br)CC1 2379726838 ZEVUURNJLFKTLW-AMUVOQDHSA-N 488.083 5.593 50 10 JKGE Cc1cc(=O)oc2cc(N/C=C(/C#N)c3nc(-c4cc5ccccc5oc4=O)cs3)ccc12 1801113 AMENXAJONHEFJR-VBKFSLOCSA-N 453.479 5.308 50 10 JKGE CCn1c2ccccc2c2cc(/C=N/NC(=O)COc3ccc(C)cc3Br)ccc21 12581760 XJNFDNJBIHIABD-VULFUBBASA-N 464.363 5.414 50 10 JKGE N#C/C(=C\c1ccc(OCC(=O)Nc2ccc(F)cc2)c(Br)c1)c1ccc([N+](=O)[O-])cc1 33306895 RDAVSZJAADBRLX-GZTJUZNOSA-N 496.292 5.578 50 10 JKGE C/C(=N/NC(=O)c1ccc(CN2C(=O)c3cccc4cccc2c34)cc1)c1cc2ccccc2o1 33728934 ZHBSNWCKNNDAES-YKQZZPSBSA-N 459.505 5.900 50 10 JKGE COC(=O)[C@]12CC[C@@H](C)[C@H](C)[C@H]1C1=CC[C@@H]3[C@@]4(C)C(C=O)=C[C@@](C)(CO)[C@@H]4CC[C@@]3(C)[C@]1(C)CC2 34037877 LYCFWLGZBBBCJV-SKJUQBBDSA-N 482.705 6.135 50 10 JKGE BrCCCCOc1c(Br)cc(Br)cc1Br 36949755 SZUFKKKNQVKAMS-UHFFFAOYSA-N 465.805 5.528 50 10 JKGE N#CC1=C(N)Oc2cc(OC(=O)c3ccc(Cl)cc3Cl)ccc2[C@H]1c1ccc(F)cc1 38652616 QEHFJMUACVGONK-OAQYLSRUSA-N 455.272 5.570 50 10 JKGE CCCOc1cccc(C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@@H]3c2ccc(OCC)cc2)c1 38685892 IFJNARJVGGAHAD-AREMUKBSSA-N 470.525 5.311 50 10 JKGE CCCOc1ccccc1C(=O)Oc1ccc2c(c1)OC(N)=C(C#N)[C@@H]2c1ccc(OCC)cc1 38685944 ZHYNMICDYIZOGQ-AREMUKBSSA-N 470.525 5.311 50 10 JKGE Cc1c(C(=O)Nc2ccc(C(C)C)cc2)oc2c1/C(=N/NC(=O)c1ccc(Cl)cc1)CCC2 40811641 NMENFCCRIWQBID-XHLNEMQHSA-N 463.965 6.088 50 10 JKGE Cc1c(C(=O)Nc2ccc(Cl)cc2Cl)oc2c1/C(=N/NC(=O)c1ccncc1)CCC2 40813936 CNMFOEWORYMDMS-WPWMEQJKSA-N 457.317 5.013 50 10 JKGE N#C/C(=C/c1cc(Br)ccc1OCc1ccccc1Cl)C(=O)Nc1ccc(F)cc1 59116781 IZTHTXFHTUGCOX-BOPFTXTBSA-N 485.740 6.366 50 10 JKGE Cc1cc(-n2c(C)cc(/C=N/NC(=O)c3cc4ccccc4o3)c2C)ccc1Br 59303956 PPZNSTFCUWKJNE-DHRITJCHSA-N 450.336 5.675 50 10 JKGE C/C(=N/NC(=O)c1cccc(Cl)c1)c1ccc(/C(C)=N\NC(=O)c2cccc(Cl)c2)cc1 59488932 BNGQDGJRWQBTCF-USYBVIFISA-N 467.356 5.301 50 10 JKGE C#CCOc1c(Cl)cc(/C=C(\C#N)C(=O)Nc2ccc(C)c(Cl)c2)cc1Br 96840695 ONVHEOTZRSKRAN-VGOFMYFVSA-N 464.146 5.622 50 10 JKGE CC1(C)[C@H](Br)C[C@H]1Oc1c(Br)cc([N+](=O)[O-])cc1Br 97647067 UVVZMNVFUYVVDH-NXEZZACHSA-N 457.944 5.061 50 10 JKGE Cc1cccc(C(CBr)(CBr)Cc2ccc(Br)cc2Cl)c1 168968338 DWUAJXJDVOFMNH-UHFFFAOYSA-N 495.480 6.681 50 10 JKGE CCCOc1ccc([C@H](Br)c2cc(C)ccc2Br)cc1Br 229008176 TVBUTWNXHGPYIT-KRWDZBQOSA-N 477.034 6.793 50 10 JKGE COc1ccc([C@H](Cl)c2cccc(C)c2I)c(Br)c1 235001378 JNVSREMCNQKKAO-AWEZNQCLSA-N 451.529 5.699 50 10 JKGE C[C@H](c1ccncc1)[C@H](Br)c1cc(Br)ccc1I 235285266 LGLJDKZILSZECS-OTYXRUKQSA-N 480.969 5.688 50 10 JKGE Fc1ccc([C@H](Cl)c2csc3c(Br)cccc23)c(I)c1 236227582 JQOMKPOKQAQWLI-AWEZNQCLSA-N 481.555 6.736 50 10 JKGE COc1ccc(C=NNC(=O)CSc2nnc(-c3ccc(C(C)(C)C)cc3)n2-c2ccccc2)cc1 254486497 DLDYMJBSQHVRSG-UHFFFAOYSA-N 499.640 5.483 50 10 JKGE C[C@@H](Cl)c1nc2cc(I)c(F)cc2n1[C@@H]1CCCN(Cc2ccccc2)C1 312146302 QDVNTLPIQXSZCG-GDBMZVCRSA-N 497.783 5.917 50 10 JKGE ClCc1nc2ccc(Cl)cc2n1-c1cc(I)ccc1Br 380197653 DLSNLZCWZISFFW-UHFFFAOYSA-N 481.946 5.785 50 10 JKGE Cc1cccc(Br)c1[C@@H](Br)c1csc2c(Br)cccc12 380775086 RFFBGVGOSQSHBG-HNNXBMFYSA-N 475.043 7.219 50 10 JKGE O=C(OCc1ccccc1)N1C[C@@H](CBr)[C@@H](c2ccc(Br)c(Cl)c2)C1 382695838 YVXDTLCLCZIYPW-HZPDHXFCSA-N 487.619 5.850 50 10 JKGE O=C(N[C@@H](CBr)C1CCCCC1)c1cc(Cl)ccc1I 386264351 NKGWZTLPDXZDOM-AWEZNQCLSA-N 470.576 5.018 50 10 JKGE CN(Cc1ccccc1)C1(Cn2c(CCl)nc3cc(F)c(Br)cc32)CCC1 386826846 HDUDNENHSMJUNL-UHFFFAOYSA-N 450.783 5.731 50 10 JKGE FC(F)(Cl)CCC(CBr)(CBr)c1ccc(Br)cc1 402980579 GQCXMXBYBFVITJ-UHFFFAOYSA-N 469.389 6.089 50 10 JKGE Clc1cc([C@H](Br)c2ccc(OCc3ccccc3)cc2)c(Cl)c(Cl)c1Cl 404822045 DNQGXEJUGPLDEZ-QGZVFWFLSA-N 491.039 8.364 50 10 JKGE Fc1cccc(CBr)c1OCc1cc(Cl)ccc1I 405293826 JNFNRLVVNPNYPB-UHFFFAOYSA-N 455.492 5.558 50 10 JKGE COCc1cc(Br)c([C@@H](Br)c2cc(C)c(Br)s2)s1 688081254 ALTLTYAPQVIATO-JTQLQIEISA-N 475.065 6.274 50 10 JKGE Fc1ccc2nc(CCCl)n([C@@H]3CCCN(Cc4ccccc4)C3)c2c1Br 689728742 BPMSJDQVBDEJQL-MRXNPFEDSA-N 450.783 5.556 50 10 JKGE CO[C@](C)(COCc1ccccc1)Cn1c([C@@H](C)Cl)nc2cccc(Br)c21 702790051 NBWYEDJHPDBBMH-VFNWGFHPSA-N 451.792 5.721 50 10 JKGE Cc1ccc2nc([C@H](C)Cl)n(CC3(N(Cc4ccccc4)Cc4ccccc4)COC3)c2n1 705868930 FVNWQDJLVRJCPD-NRFANRHFSA-N 461.009 5.511 50 10 JKGE CN(Cc1ccccc1)[C@H](Cn1c(CCl)nc2ccc(F)c(Br)c21)C1CC1 718000362 ZRRVQIDGZOYUAA-GOSISDBHSA-N 450.783 5.587 50 10 JKGE Cc1ccccc1NC(=O)[C@H](c1cccs1)N(C(=O)CCl)c1cccc(C(F)(F)F)c1 725237439 HIIDPPXMUQTESC-FQEVSTJZSA-N 466.912 6.027 50 10 JKGE Cc1ccc(Cl)cc1NC(=O)C(=O)NN=Cc1cc(C)n(-c2ccc(Cl)cc2Cl)c1C 1084229870 WZXSGUSIGRXWIA-UHFFFAOYSA-N 477.779 5.452 50 10 JKGE Cc1cc(C=NNC(=O)c2cc3cc(Br)ccc3o2)c(C)n1-c1ccc2ccccc2c1 1084454208 GJNPKDCLOAIFQY-UHFFFAOYSA-N 486.369 6.520 50 10 JKGE O=C(CSc1nc2ccccc2s1)NN=Cc1ccc(OCc2ccc(F)cc2)cc1 1084510916 YKTRHJVYTKBAFZ-UHFFFAOYSA-N 451.548 5.257 50 10 JKGE Cc1c(C(=O)Nc2ccc(Cl)cn2)oc2c1C(=NNC(=O)c1ccc(Cl)cc1)CCC2 1772744400 WUNJDSGNPJFXSY-UHFFFAOYSA-N 457.317 5.013 50 10 JKGE CCOC(=O)c1c(NC(=O)NN=Cc2c(Cl)cccc2Cl)sc2c1CC[C@@H](C)C2 1772753095 OAWCOHQSRICGFW-LLVKDONJSA-N 454.379 5.512 50 10 JKGE Cc1cc(OCC(=O)NN=Cc2cc(Br)ccc2OCc2ccccc2)ccc1Cl 1772753957 JNLREKMQAOMXBH-UHFFFAOYSA-N 487.781 5.519 50 10 JKGE CCCCCCOc1ccc(C=NNC(=O)COc2ccccc2-c2ccccc2)cc1OC 1772754878 ZTUKVJTZVCFCHO-UHFFFAOYSA-N 460.574 5.850 50 10 JKGE COc1cc(C=NNC(=O)[C@@H](C)Oc2ccc(-c3ccccc3)cc2)ccc1OCc1ccccc1C 1772755937 VGEXUCBYZDACDA-HSZRJFAPSA-N 494.591 6.167 50 10 JKGE CC(C)c1ccc([C@H]2C(C#N)=C(N)Oc3c2c(C(F)(F)F)nn3-c2ccccc2Cl)cc1 1865685348 IEQYQMMSGOEUEC-SFHVURJKSA-N 458.871 5.886 50 10 JKGE CCOc1ccc([C@H]2C(C#N)=C(N)Oc3c2c(CC)nn3Cc2ccccc2Cl)cc1OCC 1865689157 LHJQQOHJVSEPEK-QHCPKHFHSA-N 478.980 5.163 50 10 JKGE CCOc1ccc([C@@H]2C(C#N)=C(N)Oc3c2c(C(F)(F)F)nn3Cc2ccc(Cl)cc2)cc1 1865692608 DGJWQPFNQNLPII-GOSISDBHSA-N 474.870 5.220 50 10 JKGE CCc1nn(-c2cccc(Cl)c2)c2c1[C@H](c1ccc(OC(C)C)c(OC)c1)C(C#N)=C(N)O2 1865697694 ZQLNXFJSYGWJQY-JOCHJYFZSA-N 464.953 5.102 50 10 JKGE Cc1cccc(-c2nc(CC(=O)N[C@H](C(=O)Nc3ccc(SC#N)cc3)c3ccccc3)c(C)o2)c1 1866649282 XXKRRHRWVOKJOZ-SANMLTNESA-N 496.592 5.570 50 10 JKGE CC(C)(C)c1nc(Nc2ccc(SC#N)cc2)cc(N2CCC[C@H]2c2nc3c([nH]2)CCCC3)n1 1868342565 WHEUSFJRMBSYOD-NRFANRHFSA-N 473.650 6.034 50 10 JKGE CC(C)(C)c1ccc(-c2nc(Nc3ccc(SC#N)cc3)cc(N3CCOCC3(C)C)n2)cc1 1868544936 ONSOWKGTNCBMKE-UHFFFAOYSA-N 473.646 6.373 50 10 JKGE CCOC(=O)c1ccc(N2C[C@@H](/C(O)=C(\C#N)c3nc(-c4ccc(C)cc4C)cs3)CC2=O)cc1 1872748908 SFIWRZBXIUECKM-NWIBBQCFSA-N 487.581 5.449 50 10 JKGE C[C@@H](Oc1ccc(Cl)cc1Cl)/C(O)=C(\C#N)c1nc(-c2ccc(C(C)(C)C)cc2)cs1 1872751167 URKDXFZIUUHCCM-FSXJBPCSSA-N 473.425 7.675 50 10 JKGE COc1ccc(C(C)(C)C)cc1-c1csc(/C(C#N)=C(\O)c2c(OC)cccc2OC)n1 1872751787 SVCXIVIAKBYLSV-QJOMJCCJSA-N 450.560 6.083 50 10 JKGE CCOc1ccc(C/C(O)=C(\C#N)c2nc(-c3cc(OCC)ccc3OCC)cs2)cc1 1872754694 DVNXNPHMXYKKDC-LNVKXUELSA-N 450.560 6.042 50 10 JKGE COc1c(C)cc(Cl)cc1-c1csc(/C(C#N)=C(O)/C=C/c2cccc([N+](=O)[O-])c2)n1 1872756843 DBQSAWHKSXBEGO-VMNLIQOHSA-N 453.907 6.195 50 10 JKGE CCCCCOc1ccc(/C=C(\C#N)c2nc(-c3c[nH]c4ccccc34)cs2)cc1OCC 1872791499 KZPIGKIKUDWKPH-XSFVSMFZSA-N 457.599 7.323 50 10 JKGE COc1cc(C)c([C@H](Br)c2ccc(I)cc2)cc1Br 1901654276 OMOSXIMXISZICP-OAHLLOKOSA-N 495.980 5.855 50 10 JKGE Cc1ccc(Br)c(C(=O)N(Cc2ccccc2)[C@@H](CBr)C2CC2)c1 1915311841 HNVRQLPTGJDOTA-IBGZPJMESA-N 451.202 5.573 50 10 JKGE COc1cc(Br)ccc1C(=O)N(Cc1ccccc1)[C@@H](CBr)C(C)C 1915323377 RJAOZFPCWMOKSV-SFHVURJKSA-N 469.217 5.520 50 10 JKGE O=C(NCC1CCC(CBr)CC1)c1cccc(Br)c1Br 1922684733 IMPFVIAFUGSTRW-UHFFFAOYSA-N 468.027 5.143 50 10 JKGE COCC1([C@@H](Br)c2sc(Br)c(C)c2Br)CCCCC1 1922933713 YRHMOSIRRKXKCT-LBPRGKRZSA-N 475.084 6.614 50 10 JKGE C[C@@H]1C[C@H]([C@@H](Cl)c2c(Br)sc(Br)c2Br)CO1 1924579798 KFZVFALVSVRUNT-GLDDHUGJSA-N 453.421 5.741 50 10 JKGE C[C@H]([C@H](Cl)c1c(Br)sc(Br)c1Br)C(C)(C)C 1924605207 NWICVMAHVLSCNG-XRGYYRRGSA-N 453.465 6.998 50 10 JKGE Brc1cc2c(c([C@H](Br)c3csnc3Br)c1)OCCC2 1925261355 GAAOMXGXZLUYTB-NSHDSACASA-N 468.008 5.477 50 10 JKGE Fc1ccc([C@H](Br)c2c(Cl)sc(Br)c2Cl)c(Cl)c1 1925586654 BPXSIBSXURKOEB-QMMMGPOBSA-N 453.385 7.094 50 10 JKGE O=C(OCC1c2ccccc2-c2ccccc21)N1CC(CCCCC[C@@H]2CCSS2)(C(=O)O)C1 1951898860 ALWTXIJMWFFGBJ-LJQANCHMSA-N 497.682 6.426 50 10 JKGE CC1(C)[C@H]2CC[C@@H](C2)[C@@H]1[C@H](Br)c1cc(Br)sc1Br 2029601246 UNOUTBFULGUVRW-LDDIKCJXSA-N 457.069 6.781 50 10 JKGE Brc1ccccc1[C@@H](Br)c1cc(C2CC2)c(Br)s1 2033642576 KIQXFKOJAFYKNV-CYBMUJFWSA-N 451.021 6.635 50 10 JKGE FC1(F)[C@@H]2CC[C@H]([C@H](Br)c3c(Br)sc(Br)c3Cl)[C@@H]21 2040542675 RZGXPVKWAYYWMN-FXZMZVCPSA-N 485.413 6.654 50 10 JKGE CC(C)[C@@H]1CCC[C@H]1[C@H](Cl)c1c(Br)sc(Br)c1Br 2056445947 CGVBRTJMZXHITE-RNSXUZJQSA-N 479.503 7.388 50 10 JKGE CC(C)[C@@H]1CCC[C@H]1[C@@H](Br)c1c(Br)sc(Br)c1Cl 2056450727 SZDWOQMWEXYBEQ-QXFUBDJGSA-N 479.503 7.435 50 10 JKGE Cc1nn(C)c([C@@H](Cl)c2sc(Br)c(C)c2Br)c1Br 2072300322 JOEHSOVIZFXSSY-MRVPVSSYSA-N 477.447 5.714 50 10 JKGE Cc1c(Br)ccc([C@@H](Br)C(C)(C)C(F)(F)F)c1Br 2083316988 BGVGDVMFEDWBHQ-SNVBAGLBSA-N 452.934 6.545 50 10 JKGE CCc1cc(Br)c([C@@H](Br)c2ccc(OC)c(Br)c2)s1 2089709218 KCKPDZJQFSIIOE-ZDUSSCGKSA-N 469.036 6.328 50 10 JKGE Cc1cc(Br)c([C@H](Br)[C@@H]2CCC[C@H](C)CC2)cc1Br 2100835740 LVYGROQATMHJLD-KANYHAFZSA-N 453.056 7.172 50 10 JKGE FC1(F)[C@@H]2CC(CBr)(Cc3c(Br)cccc3Br)C[C@H]21 2107632663 IQEIPSOHFMFGSD-NXEZZACHSA-N 458.966 5.811 50 10 JKGE Cc1c(Br)sc([C@@H](Br)[C@@H]2CCn3ccnc3C2)c1Br 2108963362 UTBLPDWACCGJHR-KCJUWKMLSA-N 469.040 5.477 50 10 JKGE Fc1cccc([C@H](Br)CCc2c(Br)cccc2Br)c1 2113381849 OJRPNNOBIOGFIZ-CYBMUJFWSA-N 450.971 6.420 50 10 JKGE Cc1cc(Br)c(CBr)c(N2C[C@@H](C)CN(Cc3ccccc3)C[C@H]2C)c1 2116804471 SEVZNFXMDSWSLW-ZWKOTPCHSA-N 480.288 5.999 50 10 JKGE Cc1cc(Br)c(C)c([C@H](Br)[C@H]2C[C@]23CC3(F)F)c1Br 2136378624 WQUGFPCCIOMAKK-WQHBLYJGSA-N 458.966 6.310 50 10 JKGE Cc1c(Br)ccc([C@@H](Br)Cc2cccc(F)c2)c1Br 2138876695 SGYNSOSKHHLZMG-AWEZNQCLSA-N 450.971 6.338 50 10 JKGE C[C@@H]1Cc2cc([C@H](Cl)c3ccccc3I)cc(Br)c2O1 2146617525 ZJILLLOGVAFLIS-PSLIRLAXSA-N 463.540 5.705 50 10 JKGE CC(C)Cc1ccc([C@H](Br)c2cccc(Br)c2Br)cc1 2148752162 SQGNWAZUSFVHOL-INIZCTEOSA-N 461.035 6.894 50 10 JKGE Cc1cc(Br)sc1Cn1c(CCl)nc2cc(I)ccc21 2156999569 BDBMEQCANHHGSU-UHFFFAOYSA-N 481.584 5.560 50 10 JKGE COc1ccc(C[C@H](Br)c2ccc(Br)cc2Br)cc1F 2168401779 IHIRPMWHJIWRFJ-LBPRGKRZSA-N 466.970 6.038 50 10 JKGE Cc1cc(Br)c(CBr)c(N2CCC[C@H]2[C@H]2CCN(Cc3ccccc3)C2)c1 2173447419 LUXBHKBTAUKWHF-UGKGYDQZSA-N 492.299 6.143 50 10 JKGE C[C@@H]1CC[C@@H](C(C)(C)Cc2cc(Br)ccc2Br)[C@@H](Br)C1 2175145362 TUOMHRWPTWBOEM-XFJVYGCCSA-N 467.083 6.980 50 10 JKGE Cc1cc(Br)c(C)c([C@@H](Br)c2c(F)cccc2F)c1Br 2201070626 NWJXKJAJLUMEPY-OAHLLOKOSA-N 468.961 6.591 50 10 JKGE CCC[C@H]1CN(C(=O)c2ccc(Br)cc2Br)C[C@H]1CBr 2205703020 LLHKBGQGCDHAFZ-WDEREUQCSA-N 468.027 5.095 50 10 JKGE CCCC[C@H](C)CC[C@H](Br)c1cc(I)cc2c1OCC2 2207148629 UQFJGBAAJVFGMO-LRDDRELGSA-N 451.186 6.269 50 10 JKGE FC(F)(F)[C@@H]1CC[C@@H]1[C@@H](Br)c1cc(Br)c(Br)s1 2212875977 BYBSSSHLCVKADE-CPDSJTNBSA-N 456.947 6.298 50 10 JKGE Cl[C@@H]1CN(C2CC2)C[C@@H]1c1sc(Br)c(Br)c1Br 2216421065 PNBWJYGSJBTTKD-NKWVEPMBSA-N 464.448 5.205 50 10 JKGE Cc1cc(Br)c([C@@H](Br)c2cc(C3CC3)c(Br)s2)s1 2221843845 QTAJUKHVBASSIN-NSHDSACASA-N 471.077 7.005 50 10 JKGE Clc1cc(Br)c([C@@H](Br)CC2CCOCC2)c(Cl)c1Cl 2224304315 IEAWUHMQZBNTLF-QMMMGPOBSA-N 451.413 6.662 50 10 JKGE Fc1cc(Br)c(Br)cc1[C@H](Br)[C@H]1COCCC1(F)F 2225619978 PDOIZFUQWOBNFY-HQJQHLMTSA-N 466.917 5.459 50 10 JKGE CCc1nc([C@H](Cl)c2c(Br)cc(Cl)c(Cl)c2Cl)c(Br)s1 2232511984 MCVYXDOBMIWVTM-SNVBAGLBSA-N 498.882 7.519 50 10 JKGE CN(Cc1ccccc1)[C@@H](Cn1c(CCl)nc2c(F)cc(Br)cc21)C1CC1 2232916101 MHRHSVRKPVCGSS-IBGZPJMESA-N 450.783 5.587 50 10 JKGE ClCCc1nc2ccc(Cl)c(Cl)c2n1C[C@H]1CC1(Br)Br 2233040708 QNGYOGOCHBQSSY-SSDOTTSWSA-N 461.412 5.630 50 10 JKGE COc1ccc([C@H](Br)c2cc(C)c(Br)c(C)c2)c(Br)c1 2235677644 IRAWVPSGIBIJAH-MRXNPFEDSA-N 463.007 6.321 50 10 JKGE C[C@H](Br)CN(C(=O)c1csc(Br)c1Br)C(C)(C)C 2259777648 ILDALTPCIFNPLA-ZETCQYMHSA-N 462.045 5.297 50 10 JKGE CC(C)c1cc(Br)cc(C(=O)N(Cc2ccccc2)[C@H](CBr)C(C)C)c1 2266008778 VSFMDJOLGASLIY-OAQYLSRUSA-N 481.272 6.634 50 10 JKGE Fc1ccc([C@@H](Cl)c2ccc(Cl)c(I)c2)c(F)c1Br 2268272162 BPUZPPFLNGNCFX-LBPRGKRZSA-N 477.901 6.314 50 10 JKGE C=CC[C@]1(CBr)CCCN1Cc1cccc(Br)c1Br 2272114548 GJJCKYINCNLOEU-OAHLLOKOSA-N 452.028 5.517 50 10 JKGE Cn1cc(Br)c([C@@H](Cl)c2c(F)cc(Br)c(F)c2Br)n1 2272856148 SSWCFIKKJCNVLE-VIFPVBQESA-N 479.344 5.314 50 10 JKGE COC1CC(CC[C@H](Br)Cc2cc(Br)cc(Br)c2)C1 2277963967 BEBBTDJKKZNUKR-JYHUIVOISA-N 455.028 5.723 50 10 JKGE CC1([C@H](Br)c2cc(Br)c(Br)cc2F)CC(C(F)(F)F)C1 2279200209 ZPNWVMUVVHQICZ-LXJQOYHNSA-N 482.935 6.765 50 10 JKGE Clc1ccc(I)c(C[C@H](CBr)CCc2ccccc2)c1 2286751299 ZURSXODVRPTDSV-CQSZACIVSA-N 463.584 6.131 50 10 JKGE CCOc1cc(C=C(C#N)C(=O)NCc2ccc(OC)cc2)ccc1OC(=O)c1ccccc1Cl 2295672431 YFMWPRPDZPMTAY-UHFFFAOYSA-N 490.943 5.190 50 10 JKGE N#CC(=C(Nc1cccc(Cl)c1)SCc1ccc(F)cc1)S(=O)(=O)c1ccccc1 2297349971 IOWKENUSFSPHAU-UHFFFAOYSA-N 458.967 5.991 50 10 JKGE O=C(C=Cc1ccco1)Oc1cccc(C=NNC(=O)[C@H]2CC2(c2ccccc2)c2ccccc2)c1 2297451817 BIFKWSHXIGAWCG-HHHXNRCGSA-N 476.532 5.355 50 10 JKGE Brc1cc(OCc2ccccc2)ccc1[C@H](Br)CC1C[C@H]2C[C@@H]2C1 2299507797 HABXAFJLIZLCFW-ABSDTBQOSA-N 450.214 6.900 50 10 JKGE F[C@@H]1CCC[C@H]([C@@H](Br)c2ccc(OCc3ccccc3)cc2Br)C1 2299535369 OBZZXACIXPGYRX-RZQQEMMASA-N 456.193 6.992 50 10 JKGE FC1(F)[C@H]2C[C@H]([C@H](Br)c3cc(Br)c(Br)s3)CC[C@H]21 2309100688 LYUUQMLQMPELOP-JQCUSGDOSA-N 464.995 6.391 50 10 JKGE C=CCc1cc(C=C(C#N)C(=O)Nc2ccc(C)cc2)cc(OCC)c1OCc1ccc(C)cc1 2313568024 NVJWFFQNAQLQNM-UHFFFAOYSA-N 466.581 6.555 50 10 JKGE Cc1ccc(NC(=O)C(C#N)=Cc2cn(-c3ccccc3)nc2C23CC4CC(CC(C4)C2)C3)cc1 2314476935 YGVHJTIBZMZITD-UHFFFAOYSA-N 462.597 6.194 50 10 JKGE COc1ccccc1C(C#N)=Cc1cccc(OC(=O)[C@H](C)Oc2ccc(Cl)cc2Cl)c1 2320511450 WWNYRKITKCASKY-INIZCTEOSA-N 468.336 6.439 50 10 JKGE COc1ccc(C=C(C(=O)NNC(=O)c2ccc(SCC(C)C)cc2)c2ccccc2)cc1 2321168402 JBARXCHHVPLGBP-UHFFFAOYSA-N 460.599 5.445 50 10 JKGE CCCCOC(=O)c1ccccc1NC=C(C#N)C(=O)NC(c1ccccc1)c1ccccc1 2324825660 CJZWUMCHAOPTHE-UHFFFAOYSA-N 453.542 5.369 50 10 JKGE Fc1cc([C@H](Cl)c2sc(Cl)cc2I)c(Cl)cc1Cl 2326686543 VVGMXTNIFQZRCG-JTQLQIEISA-N 455.934 6.780 50 10 JKGE CCOC(=O)c1cnn(-c2cc(C)c3cc(C)cc(C)c3n2)c1NC(C=O)=Cc1ccccc1C 2329812454 OMIQVQRVOVYWHR-UHFFFAOYSA-N 468.557 5.483 50 10 JKGE Cc1cccc(C)c1OCCCC(O)=C(C#N)c1nc(-c2ccc(Cl)cc2Cl)cs1 2331254577 CJYZGQDOVDLCMC-UHFFFAOYSA-N 459.398 7.386 50 10 JKGE Cc1ccc(C)c(-c2csc(C(C#N)=C(O)CNC(=O)c3ccc(Cl)cc3Cl)n2)c1 2331319346 JUQSZZHZIMXHBU-UHFFFAOYSA-N 458.370 5.956 50 10 JKGE CCOc1ccc(-c2csc(C(C#N)=C(O)CCCOc3ccc(Cl)cc3)n2)c(OCC)c1 2331389101 ROBFQWORIHNLHM-UHFFFAOYSA-N 485.005 6.913 50 10 JKGE COc1ccc(-c2csc(C(C#N)=Cc3ccc(OC(=O)c4ccccc4)cc3)n2)cc1F 2331455589 ACMDSQUPUJTIPD-UHFFFAOYSA-N 456.498 6.241 50 10 JKGE Brc1ccc(OCc2ccccc2)c([C@H](Br)c2ccc3sncc3c2)c1 2336073535 WWIJHHHFWWGCAP-OAQYLSRUSA-N 489.232 7.122 50 10 JKGE Clc1ccc(CN(CCBr)Cc2cccs2)cc1I 2337222763 CWMLOKYGKWLHKM-UHFFFAOYSA-N 470.601 5.403 50 10 JKGE CCCc1sc(Br)cc1[C@@H](Br)c1cc(Br)ccc1C 2338024487 UZUGXZRRJRKJNG-HNNXBMFYSA-N 467.064 7.018 50 10 JKGE C[C@H](Br)CN(Cc1ccc(I)c(Cl)c1)C1CCCC1 2342949472 LULUEMJMCOOMBK-NSHDSACASA-N 456.593 5.473 50 10 JKGE Brc1cc([C@H](Br)c2cc3c(cc2Br)OCCC3)cs1 2343579957 GWSBBMOGZBHGKQ-AWEZNQCLSA-N 467.020 6.082 50 10 JKGE CC1([C@@H](Br)c2c(Cl)cc(Br)c(F)c2Br)CC2(CCC2)C1 2362233191 XOKLHFPWPJPKBM-ZDUSSCGKSA-N 489.448 7.411 50 10 JKGE CC1(C)CCC(C)(C)[C@H](Br)[C@H]1Cc1ccc(Cl)c(I)c1 2362438403 PKGXOYVKEKADCQ-IUODEOHRSA-N 469.632 6.713 50 10 JKGE CC12CC(C1)[C@@H]([C@@H](Br)c1c(Cl)cc(Br)c(F)c1Br)CO2 2362898826 XNMPVIBRGLULKE-AAGZOSRKSA-N 491.420 6.255 50 10 JKGE COc1c(Br)cc(C)c([C@H](Br)[C@H]2CCC23CCC3)c1Br 2365182862 DPVQPSXBYRESRT-ZWNOBZJWSA-N 467.039 6.545 50 10 JKGE COc1c(Br)cc(C)c([C@@H](Br)C[C@H](C)C(F)(F)F)c1Br 2365188894 PIBLRMAZEFFSJM-YUMQZZPRSA-N 482.960 6.553 50 10 JKGE Cc1cc(Br)c(F)c(Br)c1[C@H](Br)[C@@H]1[C@@H]2[C@H]1CCC2(F)F 2365190659 HAJGFPQOSUFSCD-JGBZZBSPSA-N 476.956 6.386 50 10 JKGE Cc1cc(Br)c(F)c(Br)c1[C@@H](Br)[C@@H]1CC12CC(F)(F)C2 2365193083 GBOTYICNXGDFII-XVKPBYJWSA-N 476.956 6.531 50 10 JKGE COc1ccc([C@@H](Br)c2c(Cl)cc(F)cc2Cl)cc1I 2366407088 NBTDOXAMSDCOCU-CQSZACIVSA-N 489.937 6.230 50 10 JKGE Cl[C@H]1Cc2ccccc2[C@@H]1NCc1ccc(I)c(Br)c1 2377313701 DLFSBYLZYBSWKU-HOCLYGCPSA-N 462.556 5.048 50 10 JKGE Cc1cc(Br)c(C(C)C)cc1[C@H](Br)c1cc(Cl)c(Cl)s1 2380947547 SNFKGOSZHZALOF-AWEZNQCLSA-N 457.058 7.734 50 10 JKGE Cc1cc(Cl)c([C@H](Br)c2cc3sc(Br)cc3s2)c(Cl)c1 2381303541 WENJCYNZLXTELK-CQSZACIVSA-N 471.066 7.825 50 10 JKGE Cc1ccc(CCN(C(=O)CCl)[C@H](C(=O)N[C@H]2CCCC[C@@H]2C)c2ccc(Cl)cc2)cc1 3035083 MIVNZEQGQXBYTJ-QXWFJRNPSA-N 475.460 5.695 50 10 JKGE COc1ccc(N/C(SCc2ccccc2C)=C(\C#N)S(=O)(=O)c2ccccc2)cc1Cl 9969210 WIUYGHQETHFMND-VHXPQNKSSA-N 485.030 6.169 50 10 JKGE O=C(COc1ccc2ccccc2c1Br)N/N=C(/C=C/c1ccccc1)c1ccccc1 12575993 PMTGAEUPTAVWOG-UUXTYVACSA-N 485.381 6.215 50 10 JKGE N#C/C(C(=O)Nc1ccccc1F)=C1\S[C@@H](Cc2ccc(Cl)cc2)C(=O)N1c1ccccc1 13562893 VQJHFDFBOORJGU-ZUGOUDHMSA-N 477.948 5.544 50 10 JKGE Cc1ccc(N2C(=O)[C@H](Cc3ccc(F)cc3)S/C2=C(\C#N)C(=O)Nc2ccccc2)cc1 16739822 FHMGQXQEOHPENV-GPSDDGMOSA-N 457.530 5.199 50 10 JKGE COc1ccc(/C=N/NC(=O)COc2ccccc2)cc1COc1cc(C)c(Cl)c(C)c1 20615884 ACABEEYUMXQIIA-MZJWZYIUSA-N 452.938 5.074 50 10 JKGE CCN(CC)S(=O)(=O)c1ccc(C(=O)Oc2ccc(/C=C(/C#N)c3ccccc3F)cc2)cc1 31901631 MIGSJCIYLSHWCD-FXBPSFAMSA-N 478.545 5.140 50 10 JKGE Cc1cc(/C=N/NC(=O)c2cc3cc(Br)ccc3o2)c(C)n1-c1ccc(O)cc1 33382535 XKKAYQDKOWWWOS-WYMPLXKRSA-N 452.308 5.072 50 10 JKGE COc1ccc(/C=C(\C(=O)c2ccc(Br)cc2)N2C=CC=CC2=C(C#N)C#N)cc1 33738798 RNYBLCVQWORBAL-OEAKJJBVSA-N 458.315 5.368 50 10 JKGE C[S@](=O)(=N/C=C(/C#N)C(=O)c1cccs1)c1ccc(OC(=O)c2ccc(Cl)cc2)cc1 33850629 JOYIXMCEYUBVPS-JKKNNNNCSA-N 470.959 5.368 50 10 JKGE CCOC(=O)c1c(-c2ccc(C)cc2)csc1NC(=O)/C(C#N)=C\c1ccc(OC)c(OC)c1 35125521 OXNNXRAJRDPINE-UNOMPAQXSA-N 476.554 5.463 50 10 JKGE CCCCCCOc1ccc(/C=C2/C(=O)N(Cc3ccc(F)cc3)C(=O)C(C#N)=C2C)cc1OC 38608705 FZYLFJYMBPIJBN-HZHRSRAPSA-N 476.548 5.586 50 10 JKGE COc1cccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)COc4cc(C)c(Cl)c(C)c4)ccc32)c1 38650206 BNXPMKHSUNWVFN-VWLOTQADSA-N 490.943 5.168 50 10 JKGE CCCOc1ccccc1[C@H]1C(C#N)=C(N)Oc2cc(OC(=O)[C@H](C)Oc3ccccc3F)ccc21 38681613 ZTYRYVYHYUXDGE-MRDQGFSESA-N 488.515 5.206 50 10 JKGE COc1cccc(C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@@H]3c2cccc(OCCC(C)C)c2)c1 38684623 QDUZHRGZZZEYSA-HHHXNRCGSA-N 484.552 5.557 50 10 JKGE COc1cccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4oc5cc(C)ccc5c4C)ccc32)c1 38687314 YQZUVBVMCMVBTO-RUZDIDTESA-N 466.493 5.496 50 10 JKGE CCSc1ccc(-c2nn(-c3ccccc3)cc2/C=C(/C#N)S(=O)(=O)c2ccccc2)cc1 39774661 CILIYRQNUPQSCK-UQQQWYQISA-N 471.607 5.990 50 10 JKGE CCCCCCOc1ccc(/C=N/NC(=O)CCCOc2ccc(CC)cc2Br)cc1 40959444 HVMGZNIFMIWQQY-ZXVVBBHZSA-N 489.454 6.280 50 10 JKGE CCOc1ccc(N(C(=O)/C(C#N)=C/c2ccc(OC)cc2)S(=O)(=O)c2ccc(Cl)cc2)cc1 40971393 IAHHPBZYYBTRFK-KNTRCKAVSA-N 496.972 5.076 50 10 JKGE O=C(CC[C@H](O)c1ccccc1)N/N=C\c1ccc(-c2cc([N+](=O)[O-])c(Cl)cc2Cl)o1 58888699 YYMLIZGROZZDEX-BTMMFNIDSA-N 462.289 5.126 50 10 JKGE C[C@H](Cl)c1nc2cc(I)ccc2n1-c1ccccc1Br 97353910 KQYSOPCKROHITL-VIFPVBQESA-N 461.528 5.692 50 10 JKGE Fc1cc(-n2c(CCCl)nc3cc(I)ccc32)ccc1Br 97355375 VRQWVVHNLWCHRX-UHFFFAOYSA-N 479.518 5.313 50 10 JKGE Fc1cc2c(cc1I)nc(CCl)n2-c1ccc(Br)cc1F 97408550 OEOAJDUVSLKYPP-UHFFFAOYSA-N 483.481 5.410 50 10 JKGE N#C/C(=C/Nc1cc(C(F)(F)F)ccc1Cl)c1nc(-c2ccc(-c3ccccc3)cc2)cs1 100406198 RDNPGEQARXSUSK-RGEXLXHISA-N 481.930 8.126 50 10 JKGE CC1=C(C#N)C(=O)N(Cc2ccc(F)cc2)C(=O)/C1=C/c1cn(-c2ccccc2)nc1-c1ccccc1 101340402 AYBJSFAJMMMNBI-WGOQTCKBSA-N 488.522 5.471 50 10 JKGE N#C/C(=C/Nc1ccc2oc(=O)ccc2c1)c1nc(-c2ccc(Br)cc2)cs1 102419632 JOLZJUBQBHLGOS-PTNGSMBKSA-N 450.317 5.656 50 10 JKGE Clc1cc2c(cc1[C@H](Br)c1cccc(I)c1)OCCO2 109867678 VWCMWEKIDVMMEO-OAHLLOKOSA-N 465.512 5.200 50 10 JKGE COc1ccc([C@@H](Br)c2ccc(Br)cc2F)c(Br)c1 109877251 SZOBFPMXYDWEJW-CQSZACIVSA-N 452.943 5.844 50 10 JKGE CC(C)(C)OCCC(CBr)(CBr)c1cccc(Br)c1 133733391 WBYAXBCWNCIUTI-UHFFFAOYSA-N 457.044 5.682 50 10 JKGE Fc1ccc([C@@H](Br)c2cc(Br)cc3c2OCC3)c(Br)c1 228443624 UNISBLHFAXEPKS-CQSZACIVSA-N 464.954 5.770 50 10 JKGE COc1ccc(Cl)cc1[C@@H](Br)c1ccc(I)c(Cl)c1 232345302 PKHUOAXVICBKDS-AWEZNQCLSA-N 471.947 6.091 50 10 JKGE COc1ccc([C@H](Br)c2ccc(F)c(Br)c2)c(Br)c1 234999035 NUKDQOUWVCZTCV-CQSZACIVSA-N 452.943 5.844 50 10 JKGE C=CCOc1ccc(C=NNC(=O)Cc2csc(Nc3cccc(C(F)(F)F)c3)n2)cc1OC 252607304 GZVZQYQMGHECEM-UHFFFAOYSA-N 490.507 5.172 50 10 JKGE O=C(CSc1nnc(-c2ccccc2)n1-c1ccccc1)NN=Cc1ccc(C(F)(F)F)cc1 254417504 UPLXONUBSBYXBV-UHFFFAOYSA-N 481.503 5.196 50 10 JKGE Cc1ccc(COc2ccc(C(=O)NN=Cc3ccc(OC(=O)c4ccc(C)cc4)cc3)cc2)cc1 254633464 ZLADKPJHYIIBPO-UHFFFAOYSA-N 478.548 5.866 50 10 JKGE C[C@]12CCCC[C@H]1[C@H]2C(=O)NN=Cc1ccc(OCc2ccc([N+](=O)[O-])cc2)c(Br)c1 254714706 BMNIGCHLCRTFRF-HARLFGEKSA-N 486.366 5.213 50 10 JKGE C[C@@H]1CCc2sc(C(=O)NN=Cc3cn(-c4ccccc4)nc3-c3cc4ccccc4o3)cc2C1 254746998 OPJZHKFLMAXIFA-GOSISDBHSA-N 480.593 6.236 50 10 JKGE CCOc1ccc2ccccc2c1C=NNC(=O)Cn1cnc2scc(-c3ccc(C)cc3)c2c1=O 254895589 ANDQPGMXPPTKQI-UHFFFAOYSA-N 496.592 5.136 50 10 JKGE C[C@@H](Cl)c1nc2cc(I)c(F)cc2n1[C@H]1CCCN(Cc2ccccc2)C1 312146305 QDVNTLPIQXSZCG-ZBFHGGJFSA-N 497.783 5.917 50 10 JKGE Fc1ccc(Cl)c([C@H](Br)c2cc(I)cc3c2OCC3)c1 312629487 BVNKFHMZIHUGGX-AWEZNQCLSA-N 467.503 5.503 50 10 JKGE CC1(C)C[C@@H](Oc2c(Br)cc(Br)cc2CBr)C(C)(C)O1 380590147 LHLLZJVCTUNDCW-GFCCVEGCSA-N 471.027 5.831 50 10 JKGE CCO[Si](CCCc1ccc(N(c2ccc(C)cc2)c2ccc(C)cc2)cc1)(OCC)OCC 585666871 VDSDERAYNRBCPT-UHFFFAOYSA-N 477.721 7.754 50 10 JKGE COCc1cc(Br)c([C@H](Br)c2cccc(Br)c2F)s1 688143381 FRIIIQKBAZOTGM-LLVKDONJSA-N 472.999 6.043 50 10 JKGE Fc1cc(F)c(F)c([C@H](Br)c2scc(Br)c2Br)c1F 705477182 SFGPRJZEWCBJDA-QMMMGPOBSA-N 482.916 6.314 50 10 JKGE O=C(CCC(=O)Nc1ccc(Cl)cc1Cl)NN=Cc1ccc(OCc2ccccc2)cc1 1084220212 ZBMFGLXYDTUNRY-UHFFFAOYSA-N 470.356 5.441 50 10 JKGE O=C(NN=Cc1ccc(-c2ccc([N+](=O)[O-])cc2)o1)c1ccc(CSc2ccccc2)cc1 1084492396 ULWVXRALUCRRPN-UHFFFAOYSA-N 457.511 5.911 50 10 JKGE COC(=O)c1c(N=Cc2cc(Br)c(OC)cc2OC)sc(/C(C)=C\C#N)c1C 1084520570 YAOKOQOKWBXXRX-KTHMVHPTSA-N 463.353 5.300 50 10 JKGE O=C(NN=Cc1cccc(OCc2ccc(Cl)cc2)c1)C(O)(c1ccccc1)c1ccccc1 1084545821 ITJFACPKTRVATK-UHFFFAOYSA-N 470.956 5.305 50 10 JKGE Cc1ccc(NC(=O)c2oc3c(c2C)C(=NNC(=O)c2ccccc2F)CCC3)cc1Cl 1772744607 YHIKSOXPBSTUHO-UHFFFAOYSA-N 453.901 5.412 50 10 JKGE Cc1c(C(=O)Nc2ccc(Oc3ccccc3)cc2)oc2c1C(=NNC(=O)c1cccs1)CCC2 1772748395 CNRKURRCGIHCJW-UHFFFAOYSA-N 485.565 6.165 50 10 JKGE CCCc1nn(Cc2ccc(F)cc2)c2c1[C@H](c1ccc(OC(C)C)c(OC)c1)C(C#N)=C(N)O2 1865696995 MTCZYCHQTZMZPS-XMMPIXPASA-N 476.552 5.037 50 10 JKGE CCCCCCOc1ccc([C@@H]2C(C#N)=C(N)Oc3c2c(CC)nn3CC(C)C)cc1OC 1865697280 ZCXZLRHJSNWKIU-HSZRJFAPSA-N 452.599 5.287 50 10 JKGE CCCc1nn(-c2ccc(Cl)c(Cl)c2)c2c1[C@@H](c1ccc(N(CC)CC)cc1)C(C#N)=C(N)O2 1865702193 PBCSYAMVJFLQOF-QHCPKHFHSA-N 496.442 6.196 50 10 JKGE CCN(CC)c1ccc([C@@H]2C(C#N)=C(N)Oc3c2c(-c2ccccc2)nn3-c2ccc(Cl)cc2)cc1 1865702396 UZCYQCLCWLVEOJ-RUZDIDTESA-N 496.014 6.257 50 10 JKGE CCCc1nn(CC(C)C)c2c1[C@@H](c1ccc(N(CC)Cc3ccccc3)cc1)C(C#N)=C(N)O2 1865706775 FILXEVQGUGUKSQ-SANMLTNESA-N 469.633 5.736 50 10 JKGE N#CC1=C(N)Oc2c(c(C(F)(F)F)nn2-c2ccc(Cl)cc2)[C@H]1c1ccc(C(F)(F)F)cc1 1865711290 UYIMQFSUIMXODZ-HNNXBMFYSA-N 484.787 5.781 50 10 JKGE Cc1ccccc1-c1nc(CC(=O)N[C@H](C(=O)Nc2ccc(SC#N)cc2)c2ccccc2)c(C)o1 1866643135 MRUSBJKEBYDVCF-SANMLTNESA-N 496.592 5.570 50 10 JKGE CC(C)c1nc(Nc2ccc(SC#N)cc2)cc(N2CCO[C@H](c3ccc(Cl)cc3)C2)n1 1868231935 XFVQJMIFXWBBNE-NRFANRHFSA-N 466.010 6.148 50 10 JKGE COc1cc2c(cc1OC)N(c1cc(Nc3ccc(SC#N)cc3)nc(-c3cccnc3)n1)CC2 1868565973 SAFCPNWUEUTKFP-UHFFFAOYSA-N 482.569 5.567 50 10 JKGE Cc1oc2cc(OCc3cccc(CCl)c3)ccc2c(=O)c1-c1ccc(Cl)c(Cl)c1 1871437093 IIYVRGMDOULAAI-UHFFFAOYSA-N 459.756 7.393 50 10 JKGE COC(=O)c1ccc(/C(C#N)=C/c2ccc(OC(=O)c3ccc(Cl)cc3Cl)c(OC)c2)o1 1872728694 OLWQLQJYOGXSRJ-NTEUORMPSA-N 472.280 5.665 50 10 JKGE N#C/C(=C(/O)CN1C(=O)COc2ccc(Cl)cc21)c1nc(-c2ccccc2Cl)cs1 1872746100 RNEQUTROWKHPAQ-JXAWBTAJSA-N 458.326 5.335 50 10 JKGE CCCCCCCOc1ccc(-c2csc(/C(C#N)=C(\O)COc3ccc(C)c(C)c3)n2)cc1 1872753002 COHPYNXDTCYFOV-RFBIWTDZSA-N 476.642 7.648 50 10 JKGE CC(C)COc1ccc(/C(O)=C(\C#N)c2nc(-c3ccc(Oc4ccccc4)cc3)cs2)cc1 1872753813 ODHLXJRULPPWGH-RFBIWTDZSA-N 468.578 7.587 50 10 JKGE CCCCOc1c(Br)cc(/C=C(\C#N)c2nc(-c3ccccc3)cs2)cc1OC 1872790082 JXUDXVQRMSITNV-WOJGMQOQSA-N 469.404 6.824 50 10 JKGE CCOc1cc(/C(O)=C(\C#N)c2nc(-c3ccc(F)cc3F)cs2)cc(OCC)c1OCC 1872818373 ZEQMMSIBNASGSG-XLNRJJMWSA-N 472.513 6.234 50 10 JKGE Cc1cc(Br)c(CBr)c(N2CCCN(Cc3ccccc3)C(C)(C)C2)c1 1879324680 AUAOSBIPCVNVGT-UHFFFAOYSA-N 480.288 6.143 50 10 JKGE Cl[C@H](c1ccc(OCc2ccccc2)cc1Br)c1ncsc1Br 1899887077 YEJHLGPXBBVCBR-OAHLLOKOSA-N 473.617 6.575 50 10 JKGE C[C@@H]1CN(Cc2ccccc2)CC[C@H]1n1c(CCl)nc2c(Br)cc(F)cc21 1912683301 GAXMFFRMYLFLKO-RDTXWAMCSA-N 450.783 5.760 50 10 JKGE COc1cc(Br)ccc1C(=O)N(Cc1ccccc1)[C@H](CBr)C(C)C 1915323375 RJAOZFPCWMOKSV-GOSISDBHSA-N 469.217 5.520 50 10 JKGE Cc1c(Br)sc([C@@H](Br)c2cc3ccccc3s2)c1Br 1922884666 SNVMKJBPCULGQQ-LBPRGKRZSA-N 481.072 7.281 50 10 JKGE Cc1c(Br)sc([C@H](Cl)c2ccc(Br)cc2Cl)c1Br 1922945841 LBJUGBSXMSGZFV-SNVBAGLBSA-N 493.873 7.326 50 10 JKGE Cc1ccc([C@H](Br)c2c(Br)sc(Br)c2Cl)cc1F 1923038905 LEFNPIWFVDFOQS-VIFPVBQESA-N 477.418 6.858 50 10 JKGE Cc1ccnc(C(=O)N(Cc2ccccc2)[C@H](CBr)C(C)C)c1Br 1927122230 NUMHNNIFNWFJTJ-MRXNPFEDSA-N 454.206 5.214 50 10 JKGE FC1(F)[C@H]([C@@H](Br)c2cc(Br)c(Br)s2)C12CCC2 1944839661 LYHNVCDAHNABIT-JGVFFNPUSA-N 450.968 6.145 50 10 JKGE Clc1nc(Oc2ccc(Br)cc2Br)sc1CBr 1949574645 CPBSAKCXYAQUCL-UHFFFAOYSA-N 462.388 6.009 50 10 JKGE Cc1sc(Br)c([C@@H](Br)c2ccccc2OCc2ccccc2)c1C 2024027963 GPJQGAMAVIPGIK-IBGZPJMESA-N 466.238 7.191 50 10 JKGE Brc1cc([C@@H](Br)c2ccc3sncc3c2)c(Br)s1 2057032316 RTMNSDAEBRHALD-NSHDSACASA-N 468.033 6.367 50 10 JKGE C[C@H]1CCc2c1c(CBr)nn2Cc1ccc(C(F)(F)F)cc1Br 2080700554 FHBLBAWBVAASKL-VIFPVBQESA-N 452.112 5.657 50 10 JKGE Cc1cc(Cl)c(Br)cc1[C@@H](Br)c1cn(C)c(Br)n1 2082382582 PJTXZEYLRDHBGW-LLVKDONJSA-N 457.391 5.391 50 10 JKGE Cc1c(Br)ccc([C@@H](Cl)c2ccc(OCc3ccccc3)cc2)c1Br 2083329349 CHTMEZUGNFCHMV-NRFANRHFSA-N 480.627 7.427 50 10 JKGE Cc1csc([C@@H](Cl)c2scc(C(F)(F)F)c2Br)c1Br 2100814323 HBMINXRCMPZLDU-MRVPVSSYSA-N 454.558 6.990 50 10 JKGE CCn1cc(Br)c([C@@H](Br)[C@@H](C)c2ccncc2Br)n1 2124763979 HANZKYMRQVVJRY-UFBFGSQYSA-N 451.988 5.063 50 10 JKGE Cc1c(Br)ccc([C@@H](Br)[C@@H]2[C@H]3CCCCC[C@H]32)c1Br 2138870515 JJVNNWNZCWMVLG-PSHZPRKYSA-N 451.040 6.782 50 10 JKGE Cc1cc([C@H](Br)Cc2c(Cl)cccc2Cl)ccc1I 2142107318 RQVAJVCNABWPPF-GFCCVEGCSA-N 469.975 6.585 50 10 JKGE CC[C@@H](Br)[C@@H]1CCCCN1Cc1ccc(I)c(Cl)c1 2142951194 XZZCAZJHDMXTAN-DOMZBBRYSA-N 456.593 5.473 50 10 JKGE FC(F)(F)[C@@H]1CCc2c3c(cc(I)c2[C@@H](Br)C1)CCO3 2146435313 JUSZRLPPGQOEBQ-SCZZXKLOSA-N 461.059 5.177 50 10 JKGE COc1ccc(OC)c([C@@H](Br)c2cccc(Br)c2Br)c1 2148748632 DWKYLIUANLAGNJ-AWEZNQCLSA-N 464.979 5.713 50 10 JKGE BrCC(CBr)(CCS[C@H]1CCOC1)c1cccc(Br)c1 2149125080 UQVHWQDPMKKQDR-AWEZNQCLSA-N 487.095 5.389 50 10 JKGE BrCC(CBr)(CCSC1CCCC1)c1ccccc1Br 2149129010 GLHNHZFIMFRGOP-UHFFFAOYSA-N 485.123 6.543 50 10 JKGE BrCc1cc(Br)ccc1N1CCc2ccc(Br)cc2C1 2149906480 WQERNRXQYTYPQW-UHFFFAOYSA-N 460.007 5.669 50 10 JKGE C[C@@H]1Cc2cc(Br)cc([C@H](Br)c3scc(Cl)c3Cl)c2O1 2152527176 AHMWFRBXQCMXEC-KBUNVGBDSA-N 457.014 6.625 50 10 JKGE Cc1cc(Br)sc1[C@H](Br)c1ccc(Br)cc1C(F)(F)F 2156077116 XHACAMZZDOQKTC-LLVKDONJSA-N 492.980 7.085 50 10 JKGE Cc1ccc(Br)c(C[C@H](CBr)Cc2cccc(Br)c2)n1 2169029208 YWAWZCRDGILKNJ-CYBMUJFWSA-N 462.023 5.711 50 10 JKGE CC1(C)C[C@@H](CBr)CN(C(=O)c2cc(Br)ccc2Br)C1 2172585226 KAJICAPJXCQHSL-JTQLQIEISA-N 468.027 5.095 50 10 JKGE COc1cc(C)c([C@@H](Cl)c2cccc(Br)c2Br)cc1Br 2198736102 AHUKDQJMVBICKI-HNNXBMFYSA-N 483.425 6.619 50 10 JKGE CCCCc1ccc([C@@H](Cl)c2ccc(Br)cc2I)cc1 2207271873 KVKDEWSFTWLMQV-QGZVFWFLSA-N 463.584 6.725 50 10 JKGE COc1ccc(Br)c(CBr)c1OCc1cscc1Br 2227735098 BHFJCDHBTMDMPE-UHFFFAOYSA-N 471.008 5.756 50 10 JKGE Cc1cc(Br)c([C@H](Br)c2ccc3c(c2Br)CCO3)s1 2229745297 BMGCYWYHKCBNJR-CYBMUJFWSA-N 467.020 6.001 50 10 JKGE Clc1cc(Br)c([C@@H](Br)C2CC(C3CCC3)C2)c(Cl)c1Cl 2232514711 WNDSLQVCVGEGSC-RPTIHFLNSA-N 461.452 7.672 50 10 JKGE CCOCc1cc(Br)c([C@H](Br)c2cccc(Br)c2C)s1 2233017271 BMGJVRGQKVZRRT-CQSZACIVSA-N 483.063 6.602 50 10 JKGE Cc1cc2nc([C@@H](C)Cl)n(C[C@@H]3CC3(Br)Br)c2cc1Br 2233040263 OMZMFZSHHMCBFF-BDAKNGLRSA-N 485.445 5.913 50 10 JKGE Cc1cc(Br)c([C@H](Cl)c2ccc(F)c(Br)c2)c(C)c1Br 2235606648 WUVGXWWWEKTLKZ-OAHLLOKOSA-N 485.416 7.058 50 10 JKGE CCCCCCCCCCCO[C@]1(CI)CCCN(C(=O)OC(C)(C)C)C1 2239485804 ZTKBWGPXYYFQDN-QFIPXVFZSA-N 495.486 6.739 50 10 JKGE Cc1cc(F)c(Br)cc1[C@@H](Cl)c1sc(Br)c(C)c1Br 2270433028 DCABJEYFDCZWID-LLVKDONJSA-N 491.445 7.120 50 10 JKGE BrCc1cc(Br)c(OC[C@]23CCC[C@H]2CC3)c(Br)c1 2273502677 VLQDBJVNBMRVBL-XHDPSFHLSA-N 453.012 6.066 50 10 JKGE Clc1c(Br)cccc1[C@H](Cl)Cc1cc(Br)cc(Br)c1 2277954651 FIERFSLNRCQSCL-CYBMUJFWSA-N 487.844 7.150 50 10 JKGE Clc1c(Br)cccc1[C@H](Cl)c1cc2sc(Br)cc2s1 2278025541 LBXGADZWIOHQBZ-ZDUSSCGKSA-N 457.039 7.469 50 10 JKGE Brc1ccc(CN2C[C@H](Br)C[C@H]3CCCC[C@H]32)c(Br)c1 2279526935 BIFRJNBZVLBJRY-DJSGYFEHSA-N 466.055 5.740 50 10 JKGE COc1ccc([C@@H](Cl)c2ccc(Br)c(Cl)c2)c(Br)c1Cl 2283554109 MYHACJRQIXPOOT-ZDUSSCGKSA-N 459.392 6.855 50 10 JKGE C=CCc1cc(C=C(C#N)C(=O)Nc2ccccc2F)cc(OCC)c1OCc1ccc(Cl)cc1 2294187344 BYRZZCVUTOIRSN-UHFFFAOYSA-N 490.962 6.731 50 10 JKGE COc1c([C@H](Br)C2CC(Br)C2)cc(Br)c2ccccc12 2294769380 ZKHJSEGNFKKALL-HKJQSTPSSA-N 463.007 6.220 50 10 JKGE CCc1ccc(NC(SCc2ccc(F)cc2Cl)=C(C#N)S(=O)(=O)c2ccccc2)cc1 2297349945 FNYCCKCRLBSIBK-UHFFFAOYSA-N 487.021 6.553 50 10 JKGE N#CC(=Cc1ccc(Oc2ccc(C(F)(F)F)cc2[N+](=O)[O-])cc1)c1ccc(C(=O)O)cc1 2297379067 LHCGJIUUEBLOMF-UHFFFAOYSA-N 454.360 6.168 50 10 JKGE Cc1nn(Cc2c(Cl)cccc2Cl)c(Cl)c1C=C(C#N)C(=O)Nc1ccccc1C(=O)O 2297382512 QLPAGSIKZORESJ-UHFFFAOYSA-N 489.746 5.444 50 10 JKGE CCN(CC)CCOC(=O)c1ccc(NC=C(C#N)c2nc(-c3ccc([N+](=O)[O-])cc3)cs2)cc1 2297461710 JBESCJBMQSJZID-UHFFFAOYSA-N 491.573 5.193 50 10 JKGE O=C(CN1CCn2c3c(c4cc(C5CCCCC5)ccc42)CCC[C@@H]31)NN=CC=Cc1ccccc1 2297639344 LOCLHXKYHXMWRG-LJAQVGFWSA-N 480.656 6.197 50 10 JKGE Cc1cc(Br)ccc1-c1ccc(C=C(C#N)C(=O)Nc2ccc(Br)cc2)o1 2313548826 GSBVNQWWQZDAQH-UHFFFAOYSA-N 486.163 6.326 50 10 JKGE C=CCc1cc(C=C(C#N)C(=O)Nc2cccc(Cl)c2Cl)ccc1OCc1cccc(C)c1 2313570574 AAJGUSXVVCCGMR-UHFFFAOYSA-N 477.391 7.155 50 10 JKGE Cc1ccc(Cl)cc1NC(=O)C(C#N)=Cc1ccccc1OCc1ccc(Cl)c(Cl)c1 2313670571 GXLBCFADSSBUHL-UHFFFAOYSA-N 471.771 7.080 50 10 JKGE N#CC(=Cc1ccccc1OCC(=O)Nc1nccs1)c1nc(-c2cccs2)cs1 2314519648 WUGHSZGAWRFKPL-UHFFFAOYSA-N 450.570 5.410 50 10 JKGE COCc1ccc([C@@H](Br)c2cc(Br)ccc2Br)s1 2315097275 JHJIDXOAMRWBDW-ZDUSSCGKSA-N 455.009 5.904 50 10 JKGE CCCc1sc(Br)cc1[C@H](Br)c1nn(C)cc1Br 2316170343 IWMRYKZNQMQACW-NSHDSACASA-N 457.029 5.443 50 10 JKGE Cc1ccc(C)c(C[C@H](Br)c2sc(Cl)cc2I)c1 2316768961 DZIVLDOCLKEGCF-NSHDSACASA-N 455.586 6.302 50 10 JKGE CCOc1ccc(-c2csc3ncn(CC(=O)C(C#N)=C4Nc5ccccc5S4)c(=O)c23)cc1 2318370984 YFZQUWFYECAJQU-UHFFFAOYSA-N 486.578 5.046 50 10 JKGE Cl[C@H](C[C@@H]1CC[C@@H]1C1CC1)c1c(Br)sc(Br)c1Br 2319489220 HYQQNGAKWUTBKD-DJLDLDEBSA-N 477.487 7.142 50 10 JKGE N#CC(=Cc1cccc(OC(=O)c2cc(C(F)(F)F)cc(C(F)(F)F)c2)c1)c1ccccc1 2320506048 AKIQKGUBSHBMFB-UHFFFAOYSA-N 461.361 7.008 50 10 JKGE CCCOc1ccc(-c2csc(NC(=O)C(C#N)=Cc3ccc(C)cc3)c2C(=O)OCC)cc1 2329632729 HZNLCLCKZFCTQP-UHFFFAOYSA-N 474.582 6.235 50 10 JKGE COC(=O)c1ccc(C=CC(O)=C(C#N)c2nc(-c3ccc(-c4ccccc4)cc3)cs2)cc1 2331231916 BGASWUWGVIZBSE-UHFFFAOYSA-N 464.546 6.770 50 10 JKGE CCOc1cc(C(O)=C(C#N)c2nc(-c3ccc4c(c3)CCCC4)cs2)cc(OCC)c1OCC 2331240151 XKMPOTBGHDVZIT-UHFFFAOYSA-N 490.625 6.835 50 10 JKGE COc1ccc(-c2csc(C(C#N)=C(O)COc3ccc(C)cc3C(C)(C)C)n2)cc1F 2331336125 OZLCITVGVMUBBT-UHFFFAOYSA-N 452.551 6.435 50 10 JKGE COc1c(C)cc(Cl)cc1-c1csc(C(C#N)=C(O)COc2ccc(Cl)c(C)c2)n1 2331392280 MIJILIOLFLRTMK-UHFFFAOYSA-N 461.370 6.614 50 10 JKGE CCOc1ccc(C=CC(O)=C(C#N)c2nc(-c3cc(C)c(OC)cc3C)cs2)cc1OC 2331402851 YLPZJKAITNVFAA-UHFFFAOYSA-N 462.571 6.349 50 10 JKGE CCCOc1ccc(-c2csc(C(C#N)=Cc3ccc(O)c([N+](=O)[O-])c3)n2)cc1OCCC 2331438050 VEULFSWFEUNUFB-UHFFFAOYSA-N 465.531 6.066 50 10 JKGE CCOc1ccc(OCC)c(-c2csc(C(C#N)=Cc3ccc(Br)cc3)n2)c1 2331470740 GZCTZECFPOAPSX-UHFFFAOYSA-N 455.377 6.434 50 10 JKGE Fc1cc(Br)c(F)c(Br)c1[C@@H](Br)C[C@H]1CCC1(F)F 2335422974 ZAWAWIDZBIJOGI-RITPCOANSA-N 468.908 6.361 50 10 JKGE Fc1cc(Cl)cc([C@H](Cl)c2cc(Br)ccc2OCc2ccccc2)c1F 2336085720 GCGKJMXPSLPYLH-LJQANCHMSA-N 458.129 7.288 50 10 JKGE CCCc1sc(Br)cc1[C@H](Br)c1c(Br)sc(C)c1C 2338025070 CDYMBMGQHKFMTN-ZDUSSCGKSA-N 487.120 7.388 50 10 JKGE CC1(C)C[C@H](Br)CCN(Cc2ccc(Cl)cc2I)C1 2341043162 PFSVOFMOMHNULZ-GFCCVEGCSA-N 456.593 5.330 50 10 JKGE Cc1ccc(CBr)cc1OCc1ccc(Cl)cc1I 2341046203 DFQGOADGSGOUCO-UHFFFAOYSA-N 451.529 5.727 50 10 JKGE Cc1cc(Br)c(C(C)C)cc1[C@H](Br)c1coc(Br)c1 2352793168 OCQZCZCLNRTYQM-OAHLLOKOSA-N 450.996 6.721 50 10 JKGE COc1ccc(C[C@@H](Br)c2ccc(OCc3ccccc3)cc2Br)cc1F 2361200748 MECJDAXVYKMDAC-LJQANCHMSA-N 494.198 6.855 50 10 JKGE COc1c(Br)cc(C)c([C@H](Br)C[C@H](C)C(C)(C)C)c1Br 2365189103 RKDICVLQQSKXQY-WDEREUQCSA-N 471.071 7.037 50 10 JKGE Clc1ccc([C@H](Cl)c2csc3c(Br)cccc23)c(I)c1 2365598619 REEPKKHHKCRWOE-AWEZNQCLSA-N 498.010 7.250 50 10 JKGE CCOc1ccc([C@H](Br)c2cccc(F)c2I)c(F)c1 2367459407 MCJIUZWZVYAGLS-AWEZNQCLSA-N 453.064 5.452 50 10 JKGE Brc1cc2c(cc1[C@@H](Br)c1cccc(OCc3ccccc3)c1)CCCO2 2369616223 PJTWWTZCJOWSFO-QHCPKHFHSA-N 488.219 6.837 50 10 JKGE Cc1cc(Br)c(C(C)C)cc1[C@@H](Br)c1ccccc1Br 2380943363 XOOQRNADXYDCPZ-KRWDZBQOSA-N 461.035 7.128 50 10 JKGE O=C(COc1ccc2cc(Br)ccc2c1Br)N/N=C/CCc1ccccc1 14015097 LZMSMBLFUAIBHA-WYMPLXKRSA-N 490.195 5.478 50 10 JKGE CCNc1nnc(SCC(=O)N(/N=C/c2ccccc2)c2cccc(C(F)(F)F)c2)s1 18663254 YTHISNDRQJEVEY-BRJLIKDPSA-N 465.526 5.148 50 10 JKGE CCCOc1ccc(-c2nn(-c3ccccc3)cc2/C=C(/C#N)C(=O)N2CCCCC2)c(C)c1 33706409 QHZGUJUZEWQIOK-PYCFMQQDSA-N 454.574 5.556 50 10 JKGE CCCCOc1cccc(-c2nn(-c3ccccc3)cc2/C=C(/C#N)C(=O)NCCCn2ccnc2)c1 35446871 NQHCUXVWHVZXRE-MOHJPFBDSA-N 494.599 5.028 50 10 JKGE CCOc1ccc(NC(=O)/C(C#N)=C\c2cn(-c3ccccc3)nc2-c2ccc(OC)cc2)cc1 35516321 QQHMVFWSIGPRHK-FXBPSFAMSA-N 464.525 5.492 50 10 JKGE COc1cccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)COc4ccc(C(C)(C)C)cc4)ccc32)c1 38650207 KRWKAGQQUFDPAV-HHHXNRCGSA-N 484.552 5.195 50 10 JKGE CCCOc1ccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4ccc(Cl)cc4)ccc32)cc1 38650601 AZARSFOIBKNEDK-XMMPIXPASA-N 460.917 5.566 50 10 JKGE CC(C)(C)c1ccc(OCC(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@@H]3c2cccc([N+](=O)[O-])c2)cc1 38653981 BTLQNHXUXRATIO-AREMUKBSSA-N 499.523 5.095 50 10 JKGE COc1cc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4ccccc4C)ccc32)ccc1OCC(C)C 38684105 FRKSHXCLGSSAPI-HHHXNRCGSA-N 484.552 5.476 50 10 JKGE CCCOc1ccccc1[C@@H]1C(C#N)=C(N)Oc2cc(OC(=O)c3oc4cc(C)ccc4c3C)ccc21 38700643 XEAGLYGITUIATB-MHZLTWQESA-N 494.547 6.276 50 10 JKGE O=C(NNc1ncnc(Nc2cccc(C(F)(F)F)c2)c1[N+](=O)[O-])c1ccc(Cl)cc1Cl 40648745 UFQMNIRVACDBAZ-UHFFFAOYSA-N 487.225 5.211 50 10 JKGE Cc1cc(NC(=O)c2oc3c(c2C)/C(=N/NC(=O)c2ccc(-c4ccccc4)cc2)CCC3)no1 40822802 PJCMUASTYMNAPX-XHLNEMQHSA-N 468.513 5.274 50 10 JKGE Cc1cc(N2CCCC2)ccc1/C=N/NC(=O)COc1ccc(C(C)(C)c2ccccc2)cc1 59155298 WGIMWBNQWGVOEU-TWKHWXDSSA-N 455.602 5.450 50 10 JKGE Cc1ccc(NC(=O)/C(C#N)=C\c2cc(Cl)c(OCc3cccc(C)c3)c(Cl)c2)cc1 59335272 YZPAZJQBLRACPI-JAIQZWGSSA-N 451.353 6.735 50 10 JKGE Cc1ccc(-c2ccccc2)n1-c1ccc(C(=O)N/N=C/c2ccc(-c3cccc([N+](=O)[O-])c3)o2)cc1 59680378 UTESRACAGZFJIK-NDZAJKAJSA-N 490.519 6.385 50 10 JKGE Cc1ccc(S(=O)(=O)n2cc(/C=C(/C#N)C(=O)Nc3ccc(Cl)cc3)c3ccccc32)cc1 96921128 OPNNBEJWPIQQEA-JXAWBTAJSA-N 475.957 5.386 50 10 JKGE CCCCCCCCOc1ccc(/C=N/NC(=O)c2cc(C(=O)OCC)c(C)nc2C)cc1OC 100930430 HJVVZKUFRHHYLB-MTDXEUNCSA-N 483.609 5.387 50 10 JKGE CCOc1ccc2nc(NC(=O)/C(C#N)=C\c3ccc(Sc4ccc(Cl)cc4)o3)sc2c1 102471147 VLQGZJWDVJFEQJ-KAMYIIQDSA-N 481.986 6.638 50 10 JKGE Cc1ccc(C[C@@H]2S/C(=C(\C#N)C(=O)Nc3cc(C)ccc3C)N(c3ccccc3)C2=O)cc1 102973476 QOHBFJHXUYYQRG-SJUMRLIPSA-N 467.594 5.677 50 10 JKGE Cc1cc(Br)ccc1[C@H](Br)c1cc(Cl)c(Br)s1 127539606 XAYOSWFNZDIFTC-NSHDSACASA-N 459.428 6.719 50 10 JKGE C[C@H](O[Si](C)(C)C)[C@]1(O)CC[C@H]2[C@@H]3CC[C@H]4C[C@@H](O[Si](C)(C)C)CC[C@]4(C)[C@H]3CC[C@@]21C 195754563 PYOLIIABYCOZPT-XFDQXGLOSA-N 480.882 7.220 50 10 JKGE Cc1ccc2nc(-c3ccc(N/C=C(/C#N)C(=O)N4CCN(c5ccc(F)cc5)CC4)cc3)sc2c1 217237499 NGPHKTVSSGFUOL-UZYVYHOESA-N 497.599 5.579 50 10 JKGE Cc1cc(N/C=C(/C#N)C(=O)Nc2ccc(Cl)c(C(F)(F)F)c2)ccc1Br 217250560 VFWQNYWVXFPINS-LUAWRHEFSA-N 458.665 5.888 50 10 JKGE COc1cc(Cl)c([C@@H](Br)c2cccc(C)c2I)cc1Cl 235019519 GEOJVMJYBCRLQJ-AWEZNQCLSA-N 485.974 6.399 50 10 JKGE Oc1ccc(COc2c(Br)cc(CBr)cc2Br)cc1 236601682 RRXFTIPMTYEZQY-UHFFFAOYSA-N 450.952 5.391 50 10 JKGE CCCOc1ccc(Br)cc1C=NNC(=O)COc1ccc(OCc2ccccc2)cc1 254399467 VGQNQEOYKLBXPI-UHFFFAOYSA-N 497.389 5.346 50 10 JKGE COC(=O)c1c(-c2c(Cl)cccc2Cl)noc1C(=O)NN=Cc1c(Cl)cccc1Cl 254618843 FJZZVADOOSPKTQ-UHFFFAOYSA-N 487.126 5.506 50 10 JKGE CC(=NNc1ccc([N+](=O)[O-])cc1)c1ccc(C(CCl)=NNc2ccc([N+](=O)[O-])cc2)s1 254796844 BEKAUKAWYUQPNA-UHFFFAOYSA-N 472.914 5.456 50 10 JKGE Cc1sc([C@H](Br)c2cccc(OCc3ccccc3)c2)cc1Br 390808129 NUCYXPGCVQKFHF-LJQANCHMSA-N 452.211 6.882 50 10 JKGE COc1cc(C)c(Br)cc1[C@@H](Br)c1cc(Br)oc1C 396502631 SJXGOAJDGBRQGU-AWEZNQCLSA-N 452.968 5.914 50 10 JKGE CC(C)(C)[Si](C)(C)OCCc1ccc([C@@H]2COCCN(S(=O)(=O)c3ccccc3)C2)cc1 616595315 UMIKJTHKEVMVOE-QHCPKHFHSA-N 475.727 5.056 50 10 JKGE CC(C)(C)[Si](C)(C)OCCc1ccccc1[C@@H]1CCCCN(CCO[Si](C)(C)C(C)(C)C)C1 616605036 KKVOXHINKWDDHI-RUZDIDTESA-N 491.909 7.842 50 10 JKGE Clc1cc(Br)c(OCc2ccc(Br)s2)c(CBr)c1 708076346 LKDRGAUAZPAKEC-UHFFFAOYSA-N 475.427 6.400 50 10 JKGE Cc1cc(I)cc(-n2c(CCl)nc3ccc(Br)cc32)c1 709797243 RHGKFDGGPIVRCA-UHFFFAOYSA-N 461.528 5.440 50 10 JKGE C[C@H]1Cc2cc(Br)cc([C@H](Br)c3cscc3Br)c2O1 720022915 DVTIVOKIZUNZOF-CPFSXVBKSA-N 467.020 6.081 50 10 JKGE Cc1ccc([C@@H](Br)c2ccc(I)c(Br)c2)s1 721589317 SMPRYSCAFUQDJI-LBPRGKRZSA-N 471.983 5.908 50 10 JKGE C=CCc1cc(/C=C(\C#N)C(=O)N(C)C)cc(Br)c1OCc1ccc(Cl)cc1 1083915647 WYTXJGWEBPUWGR-WOJGMQOQSA-N 459.771 5.405 50 10 JKGE C=CCc1cc(/C=C(\C#N)C(=O)Nc2cccc(Cl)c2Cl)ccc1OCc1ccc(C)cc1 1083971820 KZZKTEARKCCZQF-PXLXIMEGSA-N 477.391 7.155 50 10 JKGE N#C/C(=C\c1ccc(OC(=O)c2ccc(Cl)cc2Cl)cc1)C(=O)Nc1ccc(Cl)cc1 1084626775 AIUSOUXTKZFXMZ-RVDMUPIBSA-N 471.727 6.412 50 10 JKGE Cc1cccc(NC(=O)c2oc3c(c2C)C(=NNC(=O)c2ccc(Br)cc2)CCC3)c1C 1772743926 OJHAHBPXDXNMPY-UHFFFAOYSA-N 494.389 5.690 50 10 JKGE Cc1ccc(C(=O)NN=C2CCCc3oc(C(=O)Oc4cc(C)ccc4C(C)C)c(C)c32)cc1 1772744867 LVSQBSJCADENEQ-UHFFFAOYSA-N 458.558 6.018 50 10 JKGE Cc1c(C(=O)Oc2ccc3ccccc3c2)oc2c1C(=NNC(=O)c1ccc([N+](=O)[O-])cc1)CCC2 1772744987 NZCXVRKNJCJRPE-UHFFFAOYSA-N 483.480 5.339 50 10 JKGE Cc1c(C(=O)Oc2ccc3ccccc3c2)oc2c1C(=NNC(=O)Cc1ccc([N+](=O)[O-])cc1)CCC2 1772748075 XZMBXXYOJQKCFV-UHFFFAOYSA-N 497.507 5.268 50 10 JKGE N#CC1=C(N)Oc2c(c(C(F)(F)F)nn2Cc2ccccc2F)[C@@H]1c1ccc(Cl)cc1Cl 1865686617 XRUGWNLZFXNZCN-MRXNPFEDSA-N 483.252 5.614 50 10 JKGE CCCCOc1ccc([C@@H]2C(C#N)=C(N)Oc3c2c(CCC)nn3-c2cccc3ccccc23)cc1 1865691954 GBFARMIRMZRMPJ-HHHXNRCGSA-N 478.596 6.375 50 10 JKGE CCCCCOc1ccc([C@H]2C(C#N)=C(N)Oc3c2c(CC)nn3Cc2c(F)cccc2Cl)cc1 1865692118 AURWSLZNRCHXBN-DEOSSOPVSA-N 494.998 6.073 50 10 JKGE CCOc1c(OC)cccc1[C@@H]1C(C#N)=C(N)Oc2c1c(-c1ccccc1)nn2-c1ccccc1Cl 1865694179 VFJYPYRBKIUMFU-HSZRJFAPSA-N 498.970 5.818 50 10 JKGE Cc1ccsc1[C@@H]1C(C#N)=C(N)Oc2c1c(C(F)(F)F)nn2-c1cccc2ccccc12 1865699567 XCKZICXFAFTHJB-QGZVFWFLSA-N 452.461 5.632 50 10 JKGE CC(C)Cn1nc(-c2ccccc2)c2c1OC(N)=C(C#N)[C@H]2c1cc(Br)ccc1F 1865701727 COYPXGCINKRAJO-LJQANCHMSA-N 467.342 5.326 50 10 JKGE COc1ccc(-n2nc(C)c3c2OC(N)=C(C#N)[C@H]3c2ccc(OCc3ccccc3C)cc2)cc1 1865703486 WPNWKJZFKZUICI-HHHXNRCGSA-N 478.552 5.295 50 10 JKGE CCc1nn(-c2ccc(Cl)cc2)c2c1[C@@H](c1cccc(OCc3ccccc3)c1)C(C#N)=C(N)O2 1865712037 OKUVDAXQFCGKOE-VWLOTQADSA-N 482.971 5.885 50 10 JKGE COc1ccc(Br)cc1/C=C1\Oc2cc(OCc3ccc(CCl)cc3)cc(C)c2C1=O 1871436531 CVOOHKKJIAFFTO-KSEXSDGBSA-N 499.788 6.700 50 10 JKGE O=c1oc2cc(OCc3ccc(CCl)cc3)ccc2cc1-c1nc(-c2ccccc2)cs1 1871436813 RCDYXWSOFULZFF-UHFFFAOYSA-N 459.954 6.901 50 10 JKGE CC[C@H](C)N1C(=O)c2ccc(/C(O)=C(\C#N)c3nc(-c4c[nH]c5ccccc45)cs3)cc2C1=O 1872753051 FSKRSWXEKXWXAJ-QETBKQIWSA-N 468.538 5.636 50 10 JKGE Cc1ccc(C(C)(C)C)cc1-c1csc(/C(C#N)=C(O)/C=C\c2ccc3c(c2)OCCO3)n1 1872755890 KVXLAUJYEGHHSB-LKELOTDNSA-N 458.583 6.693 50 10 JKGE COc1cc(Cl)c(C)cc1-c1csc(/C(C#N)=C(\O)c2ccccc2C(=O)c2ccccc2)n1 1872756808 BKZXUCYINSDTPG-QLYXXIJNSA-N 486.980 6.961 50 10 JKGE Clc1ccc([C@@H](Br)c2cc(Br)ccc2OCc2ccccc2)s1 1899855793 BUJNCSBEKDRNGO-SFHVURJKSA-N 472.629 7.227 50 10 JKGE C[C@@H](CCCl)N(Cc1ccccc1)S(=O)(=O)c1ccc(Cl)c(Br)c1 1915069447 KQBROLBKBKHLPA-ZDUSSCGKSA-N 451.213 5.311 50 10 JKGE Cl[C@H](c1c(Br)sc(Br)c1Br)C(C1CC1)C1CC1 1924583867 QBRRTKOGRQWWLP-JTQLQIEISA-N 463.460 6.752 50 10 JKGE Cl[C@H](c1c(Br)sc(Br)c1Br)[C@@H]1CCCc2ccccc21 1924600376 QOXJVXGKANMVOJ-MFKMUULPSA-N 499.493 7.436 50 10 JKGE Brc1cc([C@H](Br)C2(Br)CC2)sc1Br 1953929561 UHKBISHHCMSKMR-LURJTMIESA-N 453.819 5.637 50 10 JKGE CC(C)(C)[C@@H](Cl)c1c(Br)c(Br)cc(Br)c1Br 1995048379 PXDQXZPPFVTVQO-JTQLQIEISA-N 498.278 7.063 50 10 JKGE COCC(C)(C)N(Cc1ccccc1)c1cc(C)cc(Br)c1CBr 2005458866 JMGVZHCLLDOLJV-UHFFFAOYSA-N 455.234 6.084 50 10 JKGE Cc1nn(C)c(Br)c1[C@@H](Cl)c1cc(Br)sc1Br 2013202190 JMBLIAABGCVCLA-QMMMGPOBSA-N 463.420 5.406 50 10 JKGE CCN(C[C@](C)(CI)O[C@@H]1CCC[C@H](C)[C@@H]1C)C(=O)OC(C)(C)C 2022947715 MOAZCGUOPUUSNE-GGXPGOJBSA-N 453.405 5.278 50 10 JKGE Cl[C@@H](c1cc(C2CC2)c(Br)s1)c1scc(Br)c1Br 2033627401 RRWCZTFEPGYCIR-JTQLQIEISA-N 491.495 7.303 50 10 JKGE COC[C@@H]1CC[C@@H]([C@@H](Br)c2sc(Br)c(C)c2Br)C1 2061292666 LNVLKKVTCSJIBT-FXPVBKGRSA-N 461.057 6.080 50 10 JKGE Cc1cc(Cl)c([C@@H](Br)c2cnn(C)c2I)cc1Cl 2081579872 YEGKFHALARFYGL-LLVKDONJSA-N 459.940 5.124 50 10 JKGE Brc1ccc([C@H](Br)c2ncn3ccsc23)c(I)c1 2086144727 DAKQSVXAHUCRKF-JTQLQIEISA-N 497.981 5.247 50 10 JKGE COc1ccc([C@@H](Br)c2ccc(Br)cc2I)cc1 2086149439 NXGNXOIUUTVQCY-CQSZACIVSA-N 481.953 5.547 50 10 JKGE Cc1ccc([C@H](Br)c2cc(C3CC3)c(Br)s2)c(Br)c1 2094674446 VZSLJOGQGGBWKQ-AWEZNQCLSA-N 465.048 6.943 50 10 JKGE Clc1cc([C@@H](Cl)c2cc(Br)c(Cl)s2)c(Cl)c(Cl)c1Cl 2115932842 YTDSDTLMLVCFTB-SSDOTTSWSA-N 459.834 8.106 50 10 JKGE Clc1sc([C@H](Cl)c2csc3c(Br)cccc23)cc1Br 2115942463 LXSXMBNMVQJWNC-LLVKDONJSA-N 457.039 7.469 50 10 JKGE FC(F)(F)c1csc([C@@H](Cl)c2cc(Br)c(Cl)s2)c1Br 2115942529 MPDIOXDXYFLFRB-ZETCQYMHSA-N 474.976 7.335 50 10 JKGE CC1(C)C[C@@H](CBr)CN(Cc2cccc(Br)c2Br)C1 2115951660 AZCYPIXYWKIQDL-NSHDSACASA-N 454.044 5.455 50 10 JKGE C[C@H](CCCCCBr)NC(=O)c1ccc(Br)cc1Br 2117893333 HSGNCIQSTSFLFE-SNVBAGLBSA-N 456.016 5.285 50 10 JKGE BrC[C@@H](Cc1cc(Br)ccc1Br)C1CCCCCC1 2118524533 KIAIPMMMHZXKMU-CQSZACIVSA-N 453.056 6.736 50 10 JKGE COc1c(Br)cc(C)cc1[C@H](Br)c1cc(C)sc1Br 2139016743 KLTBOPZCCITZMU-LBPRGKRZSA-N 469.036 6.383 50 10 JKGE Cc1cc(Cl)c([C@@H](Cl)c2ccc(Br)cc2I)cc1Cl 2142278870 JBBDQELAWDMSCS-AWEZNQCLSA-N 490.393 6.997 50 10 JKGE Brc1cccc([C@H](CI)OCCOC2CCCCC2)c1 2143651035 RQVQIBAZKAXBRW-INIZCTEOSA-N 453.158 5.291 50 10 JKGE Clc1ccc(C[C@@H](CBr)Cc2cccc(Br)c2)cc1Br 2166823275 MZSVJYWEGDPHLW-ZDUSSCGKSA-N 481.453 6.661 50 10 JKGE Cc1c(Cl)cc(COc2cc(Br)ccc2CBr)cc1Br 2167385841 WZPKPXWNGPHBFG-UHFFFAOYSA-N 483.425 6.647 50 10 JKGE COc1cc(Br)c(C)cc1[C@@H](Br)c1c(Cl)cccc1Br 2169467250 NITNGELESBRVRJ-OAHLLOKOSA-N 483.425 6.666 50 10 JKGE O=S(=O)(c1cc(CBr)c(Cl)cc1Cl)N1CC[C@@H](COCc2ccccc2)C1 2179829751 DSBIEDVBCNWCQS-OAHLLOKOSA-N 493.250 5.116 50 10 JKGE C[C@H]1C[C@H](n2c(CCl)nc3cc(I)c(F)cc32)CN(Cc2ccccc2)C1 2184261263 VLSZJSHELHTCNL-HOCLYGCPSA-N 497.783 5.602 50 10 JKGE CC[C@H]1CC[C@H](COc2c(Br)cc(Br)cc2CBr)CC1 2193010053 WQHHVZGKKDVTJM-HAQNSBGRSA-N 469.055 6.702 50 10 JKGE Cc1cc(Br)c(C)c([C@H](Br)[C@H]2CC23CC(F)(F)C3)c1Br 2201071446 FMSWBNNJCMOIEI-NOZJJQNGSA-N 472.993 6.700 50 10 JKGE Cc1cc(Br)c(C)c([C@@H](Br)[C@H]2CC3CCC2CC3)c1Br 2201075817 WKMBOUUCHZHORZ-MFGDRVGDSA-N 465.067 7.091 50 10 JKGE COc1cc(F)c([C@H](Br)c2cccc(C)c2Br)cc1Br 2202902784 VNUVQVPXVSOXJM-OAHLLOKOSA-N 466.970 6.152 50 10 JKGE COc1c(Cl)cc(Br)cc1[C@H](Br)c1nn(C)c(Br)c1C 2202995327 ANYYTLPWWBKDKW-JTQLQIEISA-N 487.417 5.400 50 10 JKGE COc1c(C)cc(Br)cc1[C@@H](Br)Cc1ccccc1Br 2206571544 UYGLIAYJHKEFSV-HNNXBMFYSA-N 463.007 6.207 50 10 JKGE Cc1cc([C@H](Cl)c2c(Br)cc(F)c(F)c2F)ccc1I 2207105941 VSGXWFDTHSRKAF-LBPRGKRZSA-N 475.473 6.108 50 10 JKGE CN(C(=O)c1ccc(Br)cc1I)[C@@H]1CCCCC[C@H]1Cl 2207272679 PGPMCQRKHJGEKD-TZMCWYRMSA-N 470.576 5.066 50 10 JKGE Cc1sc([C@H](Br)c2sc(C)c(C)c2Br)cc1Br 2215942504 AQLRZRDHIOMVGE-NSHDSACASA-N 459.066 6.744 50 10 JKGE Fc1cc(Br)c(Br)cc1[C@@H](Br)[C@H]1CC12CC(F)(F)C2 2225616218 DKYDODPNYPUYTF-RDDDGLTNSA-N 462.929 6.222 50 10 JKGE Fc1ccc([C@@H](Cl)c2cc(I)ccc2Br)c(F)c1F 2225924027 FHKKKWIMZRFESQ-LLVKDONJSA-N 461.446 5.799 50 10 JKGE Fc1cc(Br)cc2c1nc(CCl)n2[C@H]1CCCN(Cc2ccccc2)CC1 2232925332 ZOCRLRSJDPMBSW-KRWDZBQOSA-N 450.783 5.904 50 10 JKGE COc1cc(F)c([C@@H](Br)c2sc(C)c(Br)c2C)cc1Br 2234464495 OIMBBVHEWQPLLQ-CYBMUJFWSA-N 487.026 6.522 50 10 JKGE Cc1cc(Br)c([C@H](Br)c2ccc(Cl)cc2F)c(C)c1Br 2235602030 CCEGUSQNRLKWAR-OAHLLOKOSA-N 485.416 7.105 50 10 JKGE Cc1ccc(C)c([C@@H](Br)c2c(Br)cc(C)c(Br)c2C)c1 2235606049 VDDBXMJDQAOVID-QGZVFWFLSA-N 461.035 6.930 50 10 JKGE Cl[C@H](c1cc(Br)cc(Br)c1)c1ccc2c(c1Br)CCO2 2238071070 KRHLJSUJNBLQPY-OAHLLOKOSA-N 481.409 6.237 50 10 JKGE O=S(=O)(Cc1ccsc1Br)Nc1ccc(Cl)cc1CBr 2239475626 HPDDLRBLZQYNBS-UHFFFAOYSA-N 459.612 5.001 50 10 JKGE COc1ccc([C@@H](Br)c2cc(Br)c(Cl)cc2C)c(Br)c1 2240818325 NWXBNMGBALBNOD-OAHLLOKOSA-N 483.425 6.666 50 10 JKGE ClC[C@@H](I)[C@H](CCl)OCc1cc(Br)ccc1Cl 2252738191 XMIFKPPZHRFZLV-MNOVXSKESA-N 472.375 5.269 50 10 JKGE Cc1cc([C@H](Br)c2sc(C)c(C)c2Br)cc(C)c1Br 2264425992 XIMTWNCKKSMIQD-AWEZNQCLSA-N 467.064 6.991 50 10 JKGE Cc1cc(F)cc(C)c1[C@H](Br)c1ccc(Cl)c(I)c1 2268278685 OTRIGBFTLIJDIT-OAHLLOKOSA-N 453.520 6.185 50 10 JKGE CCCCCCC[C@H](Br)c1c(F)cc(Br)c(F)c1Br 2272739936 OHTBJKZINQTCQM-VIFPVBQESA-N 462.998 7.286 50 10 JKGE Fc1cc(C[C@H](Cl)c2cc(I)ccc2Br)ccc1Cl 2277790010 FDWLDWLPDUWELS-ZDUSSCGKSA-N 473.938 6.369 50 10 JKGE Fc1c(Cl)cccc1[C@@H](Br)Cc1cc(Br)cc(Br)c1 2277960551 JEZCDZLOKRAVOB-LBPRGKRZSA-N 471.389 6.683 50 10 JKGE COc1c([C@@H](Cl)c2cc(Br)c(Cl)s2)cc(Br)c(C)c1C 2284523023 PCNFVAYKBAXUOG-GFCCVEGCSA-N 459.030 6.880 50 10 JKGE COc1cc(C)c(Br)c(C)c1[C@H](Br)c1c(Br)cnn1C 2285095494 UUQNLSKXKWVOPU-ZDUSSCGKSA-N 466.999 5.055 50 10 JKGE COc1ccc([C@@H](Cl)c2ccc(Br)cc2I)c(OC)c1 2287084660 BLBRMGWIVRMMNY-HNNXBMFYSA-N 467.528 5.399 50 10 JKGE Cc1cc(Br)c([C@H](Br)[C@@]23C[C@@H](CO2)C3(C)C)c(C)c1Br 2289115206 DKXYSGKSGFBZIV-JMPLFQLZSA-N 467.039 6.080 50 10 JKGE CCOC(=O)c1c(NC(=O)C(C#N)=Cc2ccc(-c3ccccc3[N+](=O)[O-])o2)sc(C)c1C 2294818796 JVVGZHIKNKEMJD-UHFFFAOYSA-N 465.487 5.256 50 10 JKGE COc1ccccc1NC(=O)C(C#N)=Cc1c(Oc2ccc(C(C)(C)C)cc2)nc2ccccn2c1=O 2296720310 NHGMJGDPAGQEFL-UHFFFAOYSA-N 494.551 5.339 50 10 JKGE COc1ccccc1NC(=O)COc1ccc(C=C(C#N)c2ccc([N+](=O)[O-])cc2)cc1Cl 2297578762 MGWLYPBJBJALEO-UHFFFAOYSA-N 463.877 5.338 50 10 JKGE Brc1cc(OCc2ccccc2)ccc1[C@H](Br)C1CC2(CCC2)C1 2299505487 XGSVKLKBPYOBRR-HXUWFJFHSA-N 450.214 7.044 50 10 JKGE Fc1c(Br)cc(Cl)c([C@@H](Cl)[C@H]2C[C@H](Br)C2)c1Br 2300183959 YARHJHUUQYFHQY-HGRQIUPRSA-N 469.801 6.458 50 10 JKGE Cc1ccc(Cl)cc1[C@@H](Br)c1sc(Cl)cc1I 2301084532 UVHZDDICUKQRCN-LLVKDONJSA-N 461.977 6.452 50 10 JKGE C[C@@H]1CC[C@@H](Cc2ccc(I)c(Br)c2)C[C@@H]1Br 2306199157 JGDMYNTXJHLITL-SCVCMEIPSA-N 472.002 5.796 50 10 JKGE CCOc1cc(C=C(C#N)C(=O)Nc2ccc(C)cc2)ccc1OCc1ccc(Cl)cc1Cl 2313567060 CCOYLCXOJYTDMZ-UHFFFAOYSA-N 481.379 6.825 50 10 JKGE C=CCc1cc(C=C(C#N)C(=O)Nc2cccc(Cl)c2Cl)cc(Br)c1OCC 2313571464 WZESUADLQROVDU-UHFFFAOYSA-N 480.189 6.429 50 10 JKGE CCOc1cc(C=C(C#N)C(=O)Nc2ccccc2Cl)ccc1OCc1ccc(Cl)cc1 2313631608 SLKDMIDZBLFYHA-UHFFFAOYSA-N 467.352 6.517 50 10 JKGE Fc1ccc(Cl)c([C@H](Br)c2ccc(OCc3ccccc3)cc2Br)c1 2314448536 IUTBFBPWZZVZCU-HXUWFJFHSA-N 484.590 7.305 50 10 JKGE CC(C)(C[C@H](Br)c1ccc(OCc2ccccc2)cc1Br)C(F)(F)F 2314455130 MGCZDNZAZUXVPH-KRWDZBQOSA-N 480.162 7.443 50 10 JKGE COc1cc(C=C(C#N)c2nc(-c3ccc(F)cc3)cs2)ccc1OCC(=O)Nc1ccccc1 2314489831 TXHQVNFHYRUHQG-UHFFFAOYSA-N 485.540 6.039 50 10 JKGE CCc1ccc(N2C(=O)[C@H](Cc3ccccc3F)SC2=C(C#N)C(=O)Nc2ccccc2)cc1 2314593808 TZRDBIWXICZUBK-DEOSSOPVSA-N 471.557 5.453 50 10 JKGE CCSc1ccc(-c2nn(-c3ccccc3)cc2C=C2C(=O)N(C(C)C)C(=O)C(C#N)=C2C)cc1 2314610912 OHICFGWJODLDRA-UHFFFAOYSA-N 482.609 5.652 50 10 JKGE COc1cc(C=C2C(=O)N(Cc3ccc(C)cc3)C(=O)C(C#N)=C2C)ccc1OCc1ccc(C)cc1 2314616821 KMSXSUCCJDKXAK-UHFFFAOYSA-N 492.575 5.684 50 10 JKGE CCCCCOc1ccccc1[C@H]1C(C#N)=C(N)Oc2cc(OC(=O)C=Cc3ccc(C)cc3)ccc21 2314640635 FWFPAJKWIXFZDD-SSEXGKCCSA-N 494.591 6.401 50 10 JKGE Cc1cc(Br)c([C@H](Br)c2cnsc2Br)c(C)c1Cl 2315620315 UPGYAIMHOWXXFR-SNVBAGLBSA-N 474.443 6.423 50 10 JKGE Clc1ccc(C[C@@H](CBr)Cc2sccc2I)cc1 2316737665 ZRQSHYKBHANLPE-LLVKDONJSA-N 455.586 5.802 50 10 JKGE CC(C)(C)[C@@H]1CC[C@H]1[C@H](Br)c1c(Br)sc(Br)c1Cl 2320100606 HDPZCPPCKCZPHX-BHNWBGBOSA-N 479.503 7.435 50 10 JKGE Cc1ccc2nc(-c3ccc(NC=C(C#N)C(=O)Nc4ccccc4[N+](=O)[O-])cc3)sc2c1 2324111124 GUOKNYCNZZDOAA-UHFFFAOYSA-N 455.499 5.638 50 10 JKGE CCOc1ccc(C)cc1[C@H](C)NC(=O)C(C#N)=CNc1cc(C(F)(F)F)cc(C(F)(F)F)c1 2325074179 ODLLOFFLEOEFAF-AWEZNQCLSA-N 485.428 6.128 50 10 JKGE N#CC(=CNc1ccc(Oc2ccccc2)cc1)C(=O)Nc1ccccc1Sc1ccccc1 2325336159 HMBRLJZODYQGMV-UHFFFAOYSA-N 463.562 7.088 50 10 JKGE COc1ccc(C=C(C#N)c2nc3ccccc3s2)cc1OCc1ccc(Cl)c(Cl)c1 2331025551 LXYFCRIWAOHEOH-UHFFFAOYSA-N 467.377 7.255 50 10 JKGE COC(=O)c1ccc2c(O)nc(C(C#N)=Cc3ccccc3OCc3ccccc3C)nc2c1 2331045315 AQJSISWICBQRMH-UHFFFAOYSA-N 451.482 5.074 50 10 JKGE COc1cc(C=C(C#N)c2ccc(Cl)cc2F)ccc1OCc1ccc(Cl)cc1Cl 2331063933 SUBFFSMNNDCYFG-UHFFFAOYSA-N 462.735 7.438 50 10 JKGE CCCCc1ccc(-c2csc(C(C#N)=C(O)CCCOc3ccc4ccccc4c3)n2)cc1 2331256719 TYASVNBBXPHDBG-UHFFFAOYSA-N 468.622 7.958 50 10 JKGE CCCOc1ccc(C=C(C#N)c2nc(-c3ccc(Br)cc3)cs2)cc1OCC 2331429932 XAJYWTXJQPYQIV-UHFFFAOYSA-N 469.404 6.824 50 10 JKGE N#CC(=Cc1cccc(Br)c1)c1nc(-c2ccc(Oc3ccccc3)cc2)cs1 2331464175 HWUOVXCWKBMSHG-UHFFFAOYSA-N 459.368 7.429 50 10 JKGE COc1cc(Cl)c(C)cc1-c1csc(C(C#N)=Cc2cc(Br)ccc2O)n1 2331474297 VKGMPGYPAXTKQP-UHFFFAOYSA-N 461.768 6.313 50 10 JKGE COc1ccc(C)cc1[C@@H](Br)c1cc(Br)ccc1OCc1ccccc1 2336046273 CLDWZNABLOERDE-JOCHJYFZSA-N 476.208 6.829 50 10 JKGE COc1c(C)cc([C@@H](Br)c2sc(Cl)cc2I)cc1Cl 2338770485 KFBDUTOWMMGJTC-LLVKDONJSA-N 492.003 6.461 50 10 JKGE COc1c(Br)cc(C)c([C@@H](Br)CC2CC(C)C2)c1Br 2339674546 MFOGPJRYOPXVHP-RFBVYIQQSA-N 455.028 6.401 50 10 JKGE COc1c(Br)cc(C)c([C@H](Br)c2sccc2F)c1Br 2339689643 DZTJFRFXYOHGGT-NSHDSACASA-N 472.999 6.214 50 10 JKGE CCN(C[C@](C)(CI)OCc1cccc(C(C)C)c1)C(=O)OC(C)(C)C 2343785111 GDIZMIYHAAIFTJ-NRFANRHFSA-N 475.411 5.777 50 10 JKGE Fc1c(Br)cc(Cl)c([C@@H](Br)[C@H]2CCCC3(CC3)C2)c1Br 2362227063 ZOJBKFAGGMUQLB-UFBFGSQYSA-N 489.448 7.411 50 10 JKGE COC[C@]1(C)C[C@@H]1[C@@H](Br)c1c(C)cc(Br)c(OC)c1Br 2365220974 YRROGXPPNGNWSN-BCQZVRRWSA-N 471.027 5.637 50 10 JKGE Cc1scc([C@@H](Br)c2cc(Br)c3c(c2)C[C@H](C)O3)c1Br 2369596086 JUOXWBYDRARARP-WJWGPLDTSA-N 481.047 6.389 50 10 JKGE CC(C)O[C@H]1CCC[C@@H]1Oc1c(Br)cc(Br)cc1CBr 2370920692 AOFDDWIODDVNTO-KBPBESRZSA-N 471.027 5.831 50 10 JKGE CC(C)O[C@@H]1CCC[C@@H]1Oc1c(Br)cc(CBr)cc1Br 2371026169 PXHRDJWDXVICLR-KGLIPLIRSA-N 471.027 5.831 50 10 JKGE ClC[C@@H](CCc1ccccc1)Cc1ccc(I)c(Br)c1 2377334150 HBOCCGRFMBEPSS-HNNXBMFYSA-N 463.584 6.084 50 10 JKGE C=CC[C@]1(CBr)CCCN(Cc2cc(I)ccc2Cl)C1 2380532167 ZIYCMRPJBXKPNH-MRXNPFEDSA-N 468.604 5.498 50 10 JKGE CCSc1sccc1[C@@H]1C(C#N)=C(N)N(c2ccccc2)C2=C1C(=O)C[C@H](c1ccccc1)C2 9981220 XWGBXTDBRJFLPK-KBMIEXCESA-N 483.662 6.559 50 10 JKGE C[C@@H](Oc1ccc(-c2ccccc2)cc1)C(=O)NNC(=O)c1ccc(NC(=O)C2CCCCC2)cc1 14038711 JYOOAYXDTJRGTP-HXUWFJFHSA-N 485.584 5.101 50 10 JKGE CC(C)CCOc1ccc(C(=O)NNC(=O)Cc2cccc3ccccc23)cc1Br 14645687 YQWVVCZQDMJFND-UHFFFAOYSA-N 469.379 5.031 50 10 JKGE CCCCCCOc1ccc(Br)cc1C(=O)NNC(=O)c1ccc(OCC(C)C)cc1 14648371 DZFNWHIKARZLAT-UHFFFAOYSA-N 491.426 5.518 50 10 JKGE CCOC(=O)c1ccsc1NC(=O)/C(C#N)=C\c1ccc(OC(=O)Nc2ccccc2)c(OC)c1 20169103 FTAPQLKZRATEMF-LGMDPLHJSA-N 491.525 5.090 50 10 JKGE CCOC(=O)c1c(NC(=O)/C(C#N)=C\c2ccccc2OC)sc(C)c1-c1ccc([N+](=O)[O-])cc1 33743864 KOAFSFYZQOOQKR-AQTBWJFISA-N 491.525 5.363 50 10 JKGE CCCOc1ccc(C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@@H]3c2ccc(C(C)C)cc2)cc1 38649509 JPQUCAOWMKKHAJ-HHHXNRCGSA-N 468.553 6.036 50 10 JKGE CC(C)c1ccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4cc([N+](=O)[O-])ccc4Cl)ccc32)cc1 38649683 FQCPDGZQXYSWON-XMMPIXPASA-N 489.915 5.809 50 10 JKGE CC(C)(C)c1ccc(OCC(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@@H]3c2ccc(F)cc2)cc1 38652922 IBIWAFCRGBEDHX-AREMUKBSSA-N 472.516 5.326 50 10 JKGE N#CC1=C(N)Oc2cc(OC(=O)c3ccc(Cl)cc3)ccc2[C@H]1c1ccc(Cl)c(Cl)c1 38655698 KHTZUUPOXJBLNI-OAQYLSRUSA-N 471.727 6.084 50 10 JKGE C=CCOc1ccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)COc4cccc(Cl)c4)ccc32)cc1 38658285 PBNCEGDRNAZGSY-AREMUKBSSA-N 488.927 5.107 50 10 JKGE CCc1ccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4ccc(OCC(C)C)cc4)ccc32)cc1 38677309 LJVUZZZDQGUCNR-MHZLTWQESA-N 468.553 5.721 50 10 JKGE N#C/C(=C\c1cn(-c2ccccc2)nc1-c1cccc2ccccc12)c1nc(-c2cccs2)cs1 39842886 PRFIRAPERMDZFF-LTGZKZEYSA-N 486.625 7.942 50 10 JKGE CCc1ccc(Oc2nc3c(C)cccn3c(=O)c2/C=C(/C#N)C(=O)Nc2ccc(Cl)cc2)cc1 39858651 NWGNWKHTGFLQLL-CYVLTUHYSA-N 484.943 5.557 50 10 JKGE Cc1cc(Oc2nc3ccccn3c(=O)c2/C=C(/C#N)C(=O)Nc2ccccc2Cl)ccc1Cl 39858750 QRWDVSFJWVQYFW-SSZFMOIBSA-N 491.334 5.648 50 10 JKGE O=C(NNc1ncnc(NN(c2ccccc2)c2ccccc2)c1[N+](=O)[O-])c1cccc2ccccc12 40646424 XBTQEOUPHNBRSL-UHFFFAOYSA-N 491.511 5.460 50 10 JKGE Cc1cccc(NC(=O)/C(C#N)=C/c2cccc(OCc3ccc(Cl)cc3Cl)c2)c1C 59202153 MYKCLLZIRPANJZ-RGVLZGJSSA-N 451.353 6.735 50 10 JKGE CCOc1cc(/C=N/NC(=O)c2cc3ccccc3o2)cc(Cl)c1OCc1ccc(F)cc1 59304404 GOVBYWUGJAPAHZ-CCVNUDIWSA-N 466.896 5.967 50 10 JKGE COc1cc(/C=N/NC(=O)c2cc3cc(Br)ccc3o2)ccc1OCc1ccc(C)cc1 59304904 OOUSJAONEJBNQV-MZJWZYIUSA-N 493.357 5.855 50 10 JKGE CCOc1cc(/C=N/NC(=O)c2ccccc2N)ccc1OCc1ccc(Cl)cc1Cl 59426621 ILEMYDNVQPXJDU-UVHMKAGCSA-N 458.345 5.317 50 10 JKGE CCc1ccc(-c2n[nH]cc2/C=C(/C#N)C(=O)Nc2sc(-c3ccccc3)cc2C(=O)OC)cc1 96438549 GWMTVPWJXKVAMR-MOSHPQCFSA-N 482.565 5.700 50 10 JKGE Cc1cc(OCCn2cc(/C=C(/C#N)C(=O)Nc3ccc(F)cc3)c3ccccc32)ccc1Cl 96577108 YEGIMXZMVFJITG-CYVLTUHYSA-N 473.935 6.367 50 10 JKGE CCCCOc1ccc([C@@H](C(=O)NC2CCCCC2)N(Cc2ccccc2)C(=O)CCl)cc1 97915109 POVFHQZTRTTYBQ-SANMLTNESA-N 471.041 5.623 50 10 JKGE Cc1ccc(N2C(=O)[C@H](Cc3cccc(Cl)c3)S/C2=C(/C#N)C(=O)Nc2ccccc2)cc1C 101244826 MPQTZSJUTFIXQY-FYAMCCBRSA-N 488.012 6.022 50 10 JKGE CCSC1=NC(c2ccccc2)=NC(=O)[C@@H]1[P+](c1ccccc1)(c1ccccc1)c1ccccc1 102132535 IZKYJOSFJQPVKA-MHZLTWQESA-N 493.592 5.488 50 10 JKGE BrCC(CBr)(CC1CCOCC1)c1cccc(Br)c1 118671854 ARQPZYVGCJSHIT-UHFFFAOYSA-N 455.028 5.293 50 10 JKGE COc1cc(Br)c(O[C@H]2C[C@@H](Br)C23CCCC3)cc1Br 118819541 UJZYEKSKOASFJO-KGLIPLIRSA-N 469.011 5.695 50 10 JKGE CC/C(=C(/c1ccc(OCCCl)cc1)c1ccc(O[Si](C)(C)C(C)(C)C)cc1)c1ccccc1 195782445 ODAPRONGKJOXCU-ZQHSETAFSA-N 493.163 9.057 50 10 JKGE CC(C)(C)c1ccc([C@@H](Br)c2cc(Cl)ccc2I)s1 232560999 RNNBIDYUZDHUMB-AWEZNQCLSA-N 469.613 6.788 50 10 JKGE Cl[C@H](c1ccc(Br)cc1)c1cc(I)ccc1Br 236039800 BKXQBWIFTXAHQV-CYBMUJFWSA-N 486.372 6.144 50 10 JKGE COCc1cc(C)nc2sc(C(=O)NN=Cc3ccc(-c4ccc(F)cc4)o3)c(-n3cccc3)c12 263622422 YAWAUGRBVURXKX-UHFFFAOYSA-N 488.544 5.705 50 10 JKGE CCN(C[C@@](C)(CI)OCc1cccc(Cl)c1)C(=O)OC(C)(C)C 303741203 JPPOJMYXPUWOOK-GOSISDBHSA-N 467.775 5.307 50 10 JKGE Brc1cccc(C[C@H](Br)c2cc3c(cc2Br)OCC3)c1 308422704 ZYVSDKBSUXJEPL-AWEZNQCLSA-N 460.991 5.825 50 10 JKGE ClCCc1nc2cc(I)ccc2n1CCCOCCOCc1ccccc1 390641229 MYPAQCHURAMUME-UHFFFAOYSA-N 498.792 5.046 50 10 JKGE CC(C)(C)OC(=O)N1c2ccccc2CC[C@@H]1c1ccccc1CCO[Si](C)(C)C(C)(C)C 616596658 WEYNRVKRDIRREG-RUZDIDTESA-N 467.726 7.680 50 10 JKGE C[C@@H]1Cc2cc([C@H](Br)c3scc(Br)c3Br)ccc2O1 705466391 PPNVWQDNZGBEKB-KRTXAFLBSA-N 467.020 6.081 50 10 JKGE C[C@@H](Cl)c1nc2ccc(F)c(F)c2n1CC1(N(Cc2ccccc2)Cc2ccccc2)COC1 705607587 ZABOIERHHQIAOF-LJQANCHMSA-N 481.974 6.086 50 10 JKGE C[C@H](Cl)c1nc2cc(I)ccc2n1CC(C)(C)N(C)Cc1ccccc1 714228742 OOIDTQSULAHGJL-HNNXBMFYSA-N 481.809 5.851 50 10 JKGE CC1(C)[C@@H](OCc2ccccc2)C[C@H]1n1c(CCl)nc2cc(I)ccc21 718056012 PBZIVIJNLNXUDU-MOPGFXCFSA-N 480.777 5.936 50 10 JKGE Cc1cccc(COc2ccc(Br)cc2/C=C(/C#N)C(=O)Nc2ccc(C)cc2C)c1 1083935436 ROJKBYFSKCQVKX-XKZIYDEJSA-N 475.386 6.499 50 10 JKGE CCOc1cc(Br)c(C=NNC(=O)c2cc3cc(Br)ccc3o2)cc1OC 1084149859 RYXVMYHYLRXJTM-UHFFFAOYSA-N 496.155 5.129 50 10 JKGE Cc1cc(C=NNC(=O)c2ccc(CSc3ccc(Cl)cc3)cc2)c(C)n1-c1ccccc1 1084356261 MGUJQXWPIOZAQJ-UHFFFAOYSA-N 474.029 6.804 50 10 JKGE Cc1cc(C)cc(CSCC(=O)NN=Cc2ccc(OCc3ccc4ccccc4c3)cc2)c1 1084510185 NARNIKIMZRYFCI-UHFFFAOYSA-N 468.622 6.419 50 10 JKGE COc1cc(C=NNC(=O)CC[C@H](O)c2ccccc2)cc(Cl)c1OCc1cccc(C)c1 1084627542 LFYIPIRXANEYAE-QHCPKHFHSA-N 466.965 5.200 50 10 JKGE Fc1ccc(C(F)(F)F)cc1[C@@H]1CN(Cc2ccccc2)C[C@H]1CI 1614691801 ITCSZZZFHKZJDV-RHSMWYFYSA-N 463.256 5.495 50 10 JKGE CCc1ccc(OC(=O)c2oc3c(c2C)C(=NNC(=O)Cc2coc4cc(C)cc(C)c24)CCC3)cc1 1772751846 AOHQZFCWHIKIEP-UHFFFAOYSA-N 498.579 6.132 50 10 JKGE COc1ccc(-c2nn(-c3cccc(Cl)c3)c3c2[C@H](c2ccc(O)cc2)C(C#N)=C(N)O3)cc1 1865684540 ROTVKQAFAOJYLS-JOCHJYFZSA-N 470.916 5.125 50 10 JKGE CCCc1nn(-c2ccc(Cl)cc2)c2c1[C@H](c1cc(Br)ccc1F)C(C#N)=C(N)O2 1865702705 ZWUFDZDCLZEPIA-LJQANCHMSA-N 487.760 5.598 50 10 JKGE Cc1nn(Cc2ccccc2)c2c1[C@H](c1ccccc1OCc1ccccc1Cl)C(C#N)=C(N)O2 1865703400 VDOCDVRQIQCSTQ-AREMUKBSSA-N 482.971 5.690 50 10 JKGE C/C(=C\c1ccccc1Cl)C(=O)N[C@H](Cc1ccccc1)C(=O)Nc1ccc(SC#N)cc1 1866817376 DNSHPZNBSBKVSL-MMYRTMNYSA-N 476.001 5.683 50 10 JKGE C[C@@H](Oc1ccc(Cl)cc1Br)/C(O)=C(\C#N)c1nc(-c2ccccc2)cs1 1872747523 HKBICPCWPIMEKV-RILUTCLRSA-N 461.768 6.486 50 10 JKGE COc1c(C)cc(Cl)cc1-c1csc(/C(C#N)=C(\O)c2cccc(Br)c2)n1 1872756788 AWGOADKSWYKWOW-VLGSPTGOSA-N 461.768 6.493 50 10 JKGE Cc1csc(/C(C#N)=C(\O)CN2C(=O)c3c(Cl)c(Cl)c(Cl)c(Cl)c3C2=O)n1 1872757500 JAMFIBRKTZBEMO-SREVYHEPSA-N 463.129 5.154 50 10 JKGE C[C@@H]1OCC[C@@H]1[C@H](Cl)c1c(Br)sc(Br)c1Br 1894269989 MAYNOZROLISDML-YQJDLUKNSA-N 453.421 5.741 50 10 JKGE C[C@@H](CBr)N(Cc1ccccc1)Cc1ccc(Br)cc1Br 1914349330 XOXPHBQCXDJJTB-ZDUSSCGKSA-N 476.050 5.997 50 10 JKGE CC(C)[C@@H](CBr)N(Cc1ccccc1)C(=O)c1cc(Br)ccc1Cl 1915297746 KRJSOAMQEJOWLF-GOSISDBHSA-N 473.636 6.164 50 10 JKGE O=C(c1ccc(Br)cc1Br)N1[C@H]2CCC[C@H]1CC(Br)C2 1922763066 AFUJRLRPXCZXQG-RYUDHWBXSA-N 466.011 5.132 50 10 JKGE Brc1cc(Br)c([C@H](Br)c2ncsc2Br)s1 1922883610 CZJRFSHVIIUGDP-RXMQYKEDSA-N 496.869 5.976 50 10 JKGE Cc1c(Br)sc([C@H](Br)[C@@H]2CCCC3(CC3)C2)c1Br 1922907666 WPXVLSQZCREHIN-MWLCHTKSSA-N 457.069 6.988 50 10 JKGE Cc1c(Br)sc([C@@H](Br)c2c(F)cccc2Cl)c1Br 1922953668 GKYNPADUQDUVOK-JTQLQIEISA-N 477.418 6.858 50 10 JKGE CN(CCN(Cc1ccccc1)c1ncc(CCl)cc1Br)Cc1ccccc1 1931964063 SGAIUUNHEOCIAM-UHFFFAOYSA-N 458.831 5.722 50 10 JKGE Cl[C@H](c1c(Br)sc(Br)c1Br)C1(CC2CC2)CC1 2015725427 KLJLNWLTPWXIMN-SECBINFHSA-N 463.460 6.896 50 10 JKGE Fc1ccc([C@H](Br)Cc2ccccc2I)cc1Br 2027335490 FYBLIKKXBJBLTD-LLVKDONJSA-N 483.944 5.872 50 10 JKGE CCC(CC)[C@H](Br)CNC(=O)c1csc(Br)c1Br 2032952986 AEDPRHPLPPTVDG-SECBINFHSA-N 462.045 5.203 50 10 JKGE Brc1cc([C@H](Br)[C@H]2CCn3ccnc3C2)sc1Br 2046634029 OLFITQKRPQVGEG-WRWORJQWSA-N 455.013 5.168 50 10 JKGE Clc1cccc(Br)c1[C@H](Br)c1c(Cl)sc(Cl)c1Cl 2050317801 FUSNYFXNRDWHHU-QMMMGPOBSA-N 469.840 7.609 50 10 JKGE Fc1cc(Br)cc(N2C[C@@H]3[C@H](CCN3Cc3ccccc3)C2)c1CBr 2068563939 YGJZUQSIFZEXDR-FOIQADDNSA-N 468.208 5.194 50 10 JKGE CCN(C[C@](C)(CI)OC1CC2(CCCCC2)C1)C(=O)OC(C)(C)C 2073139737 YYPOSMQPEDVGEC-IBGZPJMESA-N 465.416 5.567 50 10 JKGE CC(C)(C)OC(=O)Nc1c(Cl)cc(C(=O)NCC2CC(Br)C2)cc1Cl 2076195596 YKUFCBSZDYURRP-UHFFFAOYSA-N 452.176 5.244 50 10 JKGE Cc1c(Br)ccc([C@@H](Cl)c2nn(C)cc2Br)c1Br 2083332378 IRDXYFXXPSALFG-LLVKDONJSA-N 457.391 5.344 50 10 JKGE CC(C)(C)[C@H](CCBr)NC(=O)c1cccc(Br)c1Br 2092341108 XYXPFZGJHKOQTE-NSHDSACASA-N 456.016 5.141 50 10 JKGE COC1CC2(C1)CC([C@H](Br)c1sc(Br)c(C)c1Br)C2 2100345039 HVZVMRCNRPOJDR-NSILSGHOSA-N 473.068 6.223 50 10 JKGE Clc1cccc(Cl)c1C[C@@H](Cl)c1cc(Br)ccc1I 2104784138 STAMDOVIUNWYBA-CYBMUJFWSA-N 490.393 6.883 50 10 JKGE Cc1c(Br)sc([C@@H](Br)[C@]2(C)CCCCC2(F)F)c1Br 2111648345 UDRSXGSUUYUTDJ-PWSUYJOCSA-N 481.038 7.233 50 10 JKGE Fc1cc(Br)cc(N2C[C@@H]3CCN(Cc4ccccc4)C[C@@H]3C2)c1CBr 2114260662 IWOYXOZGZBWJAF-DLBZAZTESA-N 482.235 5.441 50 10 JKGE Cc1cc(Br)c(CBr)c(N2C[C@H](C)CN(Cc3ccccc3)C[C@@H]2C)c1 2116804468 SEVZNFXMDSWSLW-MSOLQXFVSA-N 480.288 5.999 50 10 JKGE C[C@@H]1CCC[C@]12[C@@H](Br)C[C@@H]2Oc1c(Br)cccc1Br 2117006767 GXDFQRXDDWCKCE-JVBMTESESA-N 453.012 5.933 50 10 JKGE Clc1ccc(C(CBr)(CBr)Cc2cnsc2Br)cc1 2119234404 PCEHKZPQOXMDSY-UHFFFAOYSA-N 488.470 5.829 50 10 JKGE CC(C)(C)OC(=O)NCCSSCCNc1cc(Br)ccc1C(F)(F)F 2125302904 YZYAHUQNYLATCF-UHFFFAOYSA-N 475.396 5.786 50 10 JKGE CC(C)(C)OC1CC([C@@H](Br)c2ccc(Br)cc2Br)C1 2138867383 XKXIDARBXUBFOT-PFMWSLTASA-N 455.028 6.241 50 10 JKGE Cc1c(Br)ccc([C@H](Br)[C@@H]2[C@@H]3CCC(F)(F)[C@H]32)c1Br 2138869625 BMDYSFWBTBRJRR-ODDDBGHMSA-N 458.966 6.247 50 10 JKGE Cc1cc(Br)c(C)c([C@H](Br)C23CC(C)(CO2)C3)c1Br 2140280075 KMVFONSYKPAVNZ-NFOMZHRRSA-N 453.012 5.834 50 10 JKGE Cc1cc([C@@H](Br)c2cc(Cl)c(F)cc2C)ccc1I 2142102875 CBTUOGGPFYOCJA-OAHLLOKOSA-N 453.520 6.185 50 10 JKGE C[C@@H](Cl)c1nc2cc(I)ccc2n1CCc1cnn(Cc2ccccc2)c1 2146277311 IGKDGUIEVCTQHC-OAHLLOKOSA-N 490.776 5.428 50 10 JKGE ClC[C@H](Cc1ccccc1Br)Cc1ccc(Br)cc1Br 2148683275 UVDOVPXSRMQMRP-LLVKDONJSA-N 481.453 6.614 50 10 JKGE Oc1nc2cc([C@@H](Br)c3scc(Cl)c3Cl)c(Br)cc2[nH]1 2152521801 CPWLYIAONURSBI-SECBINFHSA-N 456.974 5.884 50 10 JKGE CC(C)(C)OC(=O)Nc1cccc([S@](C)(=O)=NCC2(CBr)CCCCC2)c1 2163058292 JIVGFIVDWBJIOV-MHZLTWQESA-N 459.450 5.836 50 10 JKGE Cc1c([C@@H](Br)c2c(Br)cc(F)c(F)c2F)nn(C)c1Br 2168219315 ZMIKMVVWKRTQJA-QMMMGPOBSA-N 476.916 5.155 50 10 JKGE Cc1nc([C@@H](Br)c2cc(Br)cc3c2OCCC3)c(Br)s1 2169495991 QPRBAJXISKDYGU-NSHDSACASA-N 482.035 5.786 50 10 JKGE Cc1cccc(C(CBr)(CBr)Cc2cc(Cl)sc2Cl)c1 2195406853 DRIWAIRGMRRHHP-UHFFFAOYSA-N 457.058 6.634 50 10 JKGE COc1ccc([C@@H](Br)c2cc(Br)ccc2Cl)c(Cl)c1Cl 2203433515 PWHUSKYQISYFOY-GFCCVEGCSA-N 459.392 6.902 50 10 JKGE Cc1c(Br)ccc([C@@H](Br)[C@H]2CC3(CCCC3)CO2)c1Br 2203703523 IYLQFAWPJHFUCL-UKRRQHHQSA-N 467.039 6.305 50 10 JKGE CC1(C)CCC[C@H]([C@@H](Br)c2c(Br)sc(Br)c2Cl)O1 2219698184 CNFQWPQEXMRFJB-HTRCEHHLSA-N 481.475 6.710 50 10 JKGE CCC(F)(F)C(C)(C)[C@H](Br)c1cc(Br)c(Br)cc1F 2225616352 OOIJFLMSKFXSGQ-LLVKDONJSA-N 466.961 6.858 50 10 JKGE C[C@@H](Cn1c([C@@H](C)Cl)nc2cc(Br)c(Br)cc21)N(C)Cc1ccccc1 2225685975 IRZKZZDIGWCKHK-UONOGXRCSA-N 499.678 6.382 50 10 JKGE C[C@@H](Cl)c1nc2ccc(Cl)c(Cl)c2n1C[C@@H]1CC1(Br)Br 2233037957 DLXYWKDJFGFHPK-RQJHMYQMSA-N 461.412 6.149 50 10 JKGE Fc1cc(Cl)c(Br)cc1[C@H](Cl)Cc1ccc(Br)cc1Cl 2237457122 CCUDJTDUSVQJJU-GFCCVEGCSA-N 461.383 7.180 50 10 JKGE COc1c(Br)cc(C)cc1[C@H](Br)c1sc(C)c(C)c1Br 2237632015 RNHXFVIDURUXPH-ZDUSSCGKSA-N 483.063 6.691 50 10 JKGE Clc1ccc([C@@H](Cl)c2cc(Br)c(Cl)s2)cc1I 2248216158 QUKIDJZPIIASOB-SNVBAGLBSA-N 482.395 6.750 50 10 JKGE Cc1cc(F)c(Br)cc1[C@@H](Br)c1cc(Br)c(Cl)s1 2258090873 LGERBNQAQIGYLE-LLVKDONJSA-N 477.418 6.858 50 10 JKGE Cc1cc(Br)c([C@@H](Br)c2cc(Br)cc(C(C)C)c2)s1 2265967275 NEMBGLDEINWYSY-AWEZNQCLSA-N 467.064 7.189 50 10 JKGE Fc1cc(Br)c(F)c(Br)c1[C@H](Br)[C@@H]1[C@H]2CCOC[C@@H]21 2272855022 JNTUURZZKFBXAC-IMBOEEOKSA-N 460.938 5.208 50 10 JKGE CC(C)(C)OC(=O)N[C@H]1CCN(CC2(CBr)CCCCC2)[C@@H](C(F)(F)F)C1 2281004314 MHAIHIPKNRIAKZ-LSDHHAIUSA-N 457.375 5.252 50 10 JKGE Cc1cc([C@@H](Br)c2cc(Br)c(F)cc2Cl)c(C)cc1Br 2285949159 RIKRRFGRMZAWCO-OAHLLOKOSA-N 485.416 7.105 50 10 JKGE N#CC(=Cc1ccccc1OCc1cccc2ccccc12)C(=O)Nc1ccc(Cl)c(Cl)c1 2294171836 CHKQLKHVTXWGRL-UHFFFAOYSA-N 473.359 7.271 50 10 JKGE COc1c(C)cc(C)cc1[C@@H](Cl)c1cc(I)ccc1Br 2295297215 URUNXBDNKGEUQB-HNNXBMFYSA-N 465.556 6.007 50 10 JKGE CCOC(=O)c1ccc(-c2ccc(C=C(C#N)C(=O)Nc3ccc(Oc4ccccc4)cc3)o2)cc1 2297169422 KPIJSRIIKDIQIG-UHFFFAOYSA-N 478.504 6.461 50 10 JKGE N#CC(=CNc1ccc(S(=O)(=O)Nc2ccc(Br)cc2)cc1)c1nc2ccccc2o1 2297532524 RBIIMAMTXIEQMF-UHFFFAOYSA-N 495.358 5.368 50 10 JKGE Cl[C@H](c1c(Br)sc(Br)c1Br)[C@H]1O[C@H]2CC[C@H]1C2 2307418674 WCSUSFFMQKPNFZ-LGSITQASSA-N 465.432 5.883 50 10 JKGE Cc1ccccc1NC(=O)C(C#N)=Cc1ccc(OC(=O)c2ccc(Cl)cc2Cl)cc1 2313667772 VTYZSVBEDRBOJL-UHFFFAOYSA-N 451.309 6.067 50 10 JKGE FC1(F)CC2(C[C@@H]2[C@H](Br)c2ccc(OCc3ccccc3)cc2Br)C1 2314443214 FTNNBSXQYDLGBH-SJLPKXTDSA-N 472.167 6.900 50 10 JKGE FC(F)c1cscc1[C@H](Br)c1ccc(OCc2ccccc2)cc1Br 2314503834 WLCNFPSWVLPOMG-GOSISDBHSA-N 488.191 7.512 50 10 JKGE Cc1ccc(NC(=O)C(C#N)=Cc2c(Oc3ccccc3Cl)nc3ccccn3c2=O)cc1C 2314532226 HIWPHAIYKVVZAX-UHFFFAOYSA-N 470.916 5.303 50 10 JKGE CCc1ccc(Oc2nc3ccccn3c(=O)c2C=C(C#N)C(=O)Nc2cccc(Cl)c2)cc1 2314532527 KFNCNPSJOZGMEX-UHFFFAOYSA-N 470.916 5.248 50 10 JKGE CCOc1ccc(N2C(=O)[C@H](Cc3ccccc3F)SC2=C(C#N)C(=O)Nc2ccccc2)cc1 2314591837 FZCVPJZFTGHQGR-DEOSSOPVSA-N 487.556 5.289 50 10 JKGE Cc1cccc(C[C@H]2SC(=C(C#N)C(=O)NCc3ccccc3)N(c3ccc(C(C)C)cc3)C2=O)c1 2314592907 DJKFBOOFMRYUGL-HHHXNRCGSA-N 495.648 5.861 50 10 JKGE CCCc1sc(Br)cc1[C@H](Cl)c1cc(Br)c(Br)s1 2316179107 XEIZDFJZOUKCDK-NSHDSACASA-N 493.511 7.378 50 10 JKGE Clc1ccc([C@H](Br)c2cc(Cl)ccc2Cl)c(I)c1 2317775148 NBPDUYZOYLGHSA-ZDUSSCGKSA-N 476.366 6.736 50 10 JKGE C[C@H](c1ccncc1F)[C@@H](Br)c1cc(Br)sc1Br 2321452158 ISXLPQKIMKNZIM-KSBSHMNSSA-N 457.988 6.047 50 10 JKGE CCc1cccc(C)c1N1C[C@H](C(O)=C(C#N)c2nc(-c3cccc(OC)c3)cs2)CC1=O 2331246624 HDQBEXNSJSYQFT-LJQANCHMSA-N 459.571 5.535 50 10 JKGE COc1ccccc1-c1csc(C(C#N)=C(O)[C@@H](CC(C)C)N2C(=O)c3ccccc3C2=O)n1 2331281904 GCFICAIDIMPXNY-OAQYLSRUSA-N 473.554 5.322 50 10 JKGE CCOC(=O)Oc1ccc(C(O)=C(C#N)c2nc(-c3cc(OC)ccc3OC)cs2)cc1 2331324602 UXNKATCTVHNCOK-UHFFFAOYSA-N 452.488 5.312 50 10 JKGE CCCCCCCOc1ccc(-c2csc(C(C#N)=C(O)c3cccc(Br)c3)n2)cc1 2331344689 GIBHJKPRQQTWKY-UHFFFAOYSA-N 497.458 7.872 50 10 JKGE CCCOc1ccc(C=C(C#N)c2nc(-c3ccc(OC)c(OC)c3)cs2)cc1OCC 2331417284 CFMWKTCYUBCWOV-UHFFFAOYSA-N 450.560 6.079 50 10 JKGE N#CC(=Cc1cc2c(cc1[N+](=O)[O-])OCCO2)c1nc(-c2ccc(Cl)cc2Cl)cs1 2331425133 UQWXGJKKBCPVNT-UHFFFAOYSA-N 460.298 5.860 50 10 JKGE COc1ccc(-c2csc(C(C#N)=Cc3ccc(OCCCc4ccccc4)c(OC)c3)n2)cc1C 2331429610 LSXWIPSKADNGDP-UHFFFAOYSA-N 496.632 7.212 50 10 JKGE COc1ccc(OC)c(-c2csc(C(C#N)=Cc3cccc(OC)c3OCc3cccc(C)c3)n2)c1 2331450654 JVDDGOBZRSYDJR-UHFFFAOYSA-N 498.604 6.788 50 10 JKGE COc1cc(C=C(C#N)c2nc(-c3ccc(C)c(C)c3)cs2)ccc1OC(=O)c1ccccc1 2331473054 OQUHXSYEEKOBBT-UHFFFAOYSA-N 466.562 6.719 50 10 JKGE Cc1ccccc1P(O[C@@H](c1ccccc1)[C@H](C)NC(=O)Nc1ccccc1)c1ccccc1C 2333285547 DUAQCUMHKBUVOE-PWUYWRBVSA-N 482.564 6.619 50 10 JKGE Cc1cc(Br)c(F)c(Br)c1[C@H](Br)C[C@@H]1C[C@H]2C[C@H]2C1 2339653980 OHGMRRMZWVTXIY-LMLFDSFASA-N 455.003 6.531 50 10 JKGE Cc1cc(Br)c(F)c(Br)c1[C@@H](Br)[C@@H]1C[C@@H]2CC[C@H]1C2 2339658241 GFLLXHUZQKBZNP-COMAGPEQSA-N 455.003 6.531 50 10 JKGE CC[C@@H]1CC[C@@H]([C@@H](Br)c2c(C)cc(Br)c(F)c2Br)O1 2339686331 YHLVIHNYKKBTML-UBHAPETDSA-N 458.991 6.053 50 10 JKGE CN(Cc1c(Br)cccc1Br)CC1(CBr)CCCC1 2340638302 VGHPVAJGAWSGHV-UHFFFAOYSA-N 454.044 5.599 50 10 JKGE ClCc1cc(Cl)cc(Br)c1OCc1sc(Cl)cc1Br 2345964112 QILNSWZCNHZAQC-UHFFFAOYSA-N 465.421 6.898 50 10 JKGE Cc1cc(Br)c(C(C)C)cc1[C@H](Br)c1ccc(Br)o1 2352801313 FDVBWRSZBSFEBQ-HNNXBMFYSA-N 450.996 6.721 50 10 JKGE COc1c(Br)cc(C)c([C@H](Br)CC[C@@H]2CC2(C)C)c1Br 2365232639 CSNVBOLOJFYKJG-GHMZBOCLSA-N 469.055 6.791 50 10 JKGE Clc1ccc([C@@H](Br)c2ccc3c(c2)CCCC3)c(I)c1 2365595528 LBVUBPMUNVJTKQ-KRWDZBQOSA-N 461.568 6.308 50 10 JKGE FC(F)(F)[C@H]1C[C@@H](CO[C@@H](CI)c2ccc(Br)cc2)C1 2381171269 UCGAPJSZDPJPTD-NDMJEZRESA-N 463.075 5.530 50 10 JKGE CC(C)C[C@H](CBr)CN1C[C@H]2CC(F)(F)CC[C@@]2(NC(=O)OC(C)(C)C)C1 2382180738 IYZPLSWYIBKISU-GPMSIDNRSA-N 453.412 5.058 50 10 JKGE CCCn1c(C)cc(C(=O)/C(C#N)=C/c2cn(-c3ccccc3)nc2-c2cccc(Cl)c2)c1C 13129909 BYIPGKPUWIEHNZ-PXLXIMEGSA-N 468.988 6.811 50 10 JKGE N#CC(=C\c1cc(Br)c(Br)s1)/C(O)=N/c1cccc(Cl)c1Cl 20429002 YPUZMUXQCHAJOU-QPJJXVBHSA-N 480.996 6.775 50 10 JKGE COc1ccc(Br)cc1/C=N/NC(=O)c1cccc(NC(=O)c2ccccc2Cl)c1 27520104 NSWPKDUJGLODTF-DHRITJCHSA-N 486.753 5.127 50 10 JKGE N#C/C(=C/c1ccc(-c2cc(C(F)(F)F)ccc2Cl)o1)C(=O)Nc1ccccc1[N+](=O)[O-] 33385408 DAJCBTAYHVLCFV-XFXZXTDPSA-N 461.783 6.073 50 10 JKGE C=CCOc1ccc(-c2nn(-c3ccccc3)cc2/C=C(/C#N)c2nc(O)c3ccccc3n2)cc1C 34983921 CGDDNIAZWKCGRZ-XLNRJJMWSA-N 485.547 6.126 50 10 JKGE Cc1ccc(-c2ccc(/C=C(\C#N)C(=O)Nc3ccc([N+](=O)[O-])cc3Cl)o2)c([N+](=O)[O-])c1 35519023 ZSLFCZAVJDOYIQ-UKTHLTGXSA-N 452.810 5.271 50 10 JKGE Cc1ccc(OCC(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@H]3c2ccc(C(C)C)cc2)cc1C 38649593 IQMGFRIAJIWNJX-NDEPHWFRSA-N 468.553 5.629 50 10 JKGE CCOc1ccccc1C(=O)Oc1ccc2c(c1)OC(N)=C(C#N)[C@@H]2c1ccc(Cl)cc1Cl 38655604 UBPPPUFOARHDEZ-HSZRJFAPSA-N 481.335 5.829 50 10 JKGE CC(C)COc1ccc(C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@@H]3c2cccc3ccccc23)cc1 38657840 OOGFOGQOIPCULJ-GDLZYMKVSA-N 490.559 6.312 50 10 JKGE CCOc1c(Cl)cc(C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@@H]3c2ccc(C)o2)cc1Cl 38659286 DMUOMGHXOJNEHF-OAQYLSRUSA-N 485.323 5.731 50 10 JKGE CCCCOc1ccccc1[C@@H]1C(C#N)=C(N)Oc2cc(OC(=O)c3cccc([N+](=O)[O-])c3)ccc21 38683167 DFCLTOJDVAWMJC-VWLOTQADSA-N 485.496 5.211 50 10 JKGE Cc1cc2oc(C(=O)Oc3ccc4c(c3)OC(N)=C(C#N)[C@H]4c3ccc([N+](=O)[O-])cc3)c(C)c2cc1C 38688223 WQMLPEAKNCSOSS-VWLOTQADSA-N 495.491 5.704 50 10 JKGE CCOc1c(Br)cc(/C=N/NC(=O)[C@H](C)Oc2cc(C)c(Cl)c(C)c2)cc1OC 40960410 CTGYKBDFVJSUEP-ZFVWIKOCSA-N 483.790 5.044 50 10 JKGE Cc1cc([C@@H](Br)c2cc(F)ccc2Br)c(C)cc1Br 70472163 DUTSLLMLKXPSMQ-OAHLLOKOSA-N 450.971 6.452 50 10 JKGE COc1cc(/C=C(/C#N)C(=O)Nc2cccc(C)c2C)c(Br)cc1OCc1ccccc1 96936244 ZAVKVCOVJHDXAN-MTJSOVHGSA-N 491.385 6.199 50 10 JKGE CCc1ccc(N2C(=O)[C@H](Cc3ccc(F)cc3)S/C2=C(/C#N)C(=O)N[C@@H](C)c2ccccc2)cc1 101242929 POEBIVJOVOZLOY-WWTUHYLUSA-N 499.611 5.692 50 10 JKGE CCOc1ccc(/C=C(/C#N)C(=O)Nc2ncc(Cc3cc(C(F)(F)F)ccc3Cl)s2)cc1 102973973 CJIARGUHXPUPCA-SXGWCWSVSA-N 491.922 6.350 50 10 JKGE CCCCCCCCCCOc1ccc(C(=O)N/N=C/c2cc(C(C)C)c(OC)cc2C)cc1 103735789 CSZNMQGWTZTGFT-MWAVMZGNSA-N 466.666 7.410 50 10 JKGE Cc1cc(Br)c([C@H](Br)c2cc3c(s2)CCC3)cc1Br 128814679 GAAYBXZYWDCODT-HNNXBMFYSA-N 465.048 6.555 50 10 JKGE Cc1cc(Br)cc([C@@H](Cl)c2cc(Br)ccc2Br)c1 131944361 PIKOGKZNQFBXNJ-CQSZACIVSA-N 453.399 6.611 50 10 JKGE CCCCOc1ccc(-c2nn(-c3ccccc3)cc2/C=C2\C(=O)N(C)C(=O)C(C#N)=C2C)c(C)c1 214204714 DDAGKDSEDIQYPB-XYGWBWBKSA-N 480.568 5.249 50 10 JKGE CCc1ccc(N/C=C(/C#N)C(=O)N2CCN(C(c3ccccc3)c3ccccc3)CC2)cc1 216497138 JXLOZVWUVOESIH-ROMGYVFFSA-N 450.586 5.002 50 10 JKGE N#C/C(=C/NCCc1ccccc1Br)C(=O)Nc1ccc(Cl)c(C(F)(F)F)c1 217250759 WLRIDYMRLPNEPP-QBFSEMIESA-N 472.692 5.300 50 10 JKGE CC(C)c1cc(Br)ccc1Oc1ccc(CBr)c(Br)c1 232776195 MYEMBPAULBUOOS-UHFFFAOYSA-N 463.007 7.022 50 10 JKGE Cc1cc(Br)c([C@H](Cl)c2cccc(C)c2Br)cc1Br 235824433 UHGDNZNLBMUEQP-OAHLLOKOSA-N 467.426 6.919 50 10 JKGE Cl[C@H](c1ccc2c(c1)OCCO2)c1cc(Br)ccc1I 236048420 IXEJQHZAJPFIDB-OAHLLOKOSA-N 465.512 5.153 50 10 JKGE O=C(/C=C\c1ccco1)Oc1cccc(C=NNC(=O)[C@@H]2CC2(c2ccccc2)c2ccccc2)c1 252593037 BIFKWSHXIGAWCG-VEIWZQMCSA-N 476.532 5.355 50 10 JKGE COc1cccc(C=NNC(=O)c2cc(-c3cccc(OCC(C)C)c3)nc3ccccc23)c1O 252626543 RAZAJCCRLJRXDM-UHFFFAOYSA-N 469.541 5.415 50 10 JKGE COc1cc(C=NNC(=O)COc2ccc(Cl)cc2)cc(Cl)c1OCc1ccccc1Cl 252638724 YEXWTFXTBOFFES-UHFFFAOYSA-N 493.774 5.764 50 10 JKGE CCCOc1ccc(-c2nn(-c3ccccc3)cc2C=NNC(=O)COc2ccccc2C)cc1 254467011 KJBCYEZCVILCQV-UHFFFAOYSA-N 468.557 5.166 50 10 JKGE CCCCCCCCOc1ccc(-c2cc(C(=O)NN=Cc3cccc([N+](=O)[O-])c3)[nH]n2)cc1 254483133 TVDRXHFIBJWVSR-UHFFFAOYSA-N 463.538 5.488 50 10 JKGE O=C(CN1CCn2c3c(c4cc(C5CCCCC5)ccc42)CCC[C@@H]31)NN=Cc1ccccc1 254906638 AVFISANCMIGZNB-MHZLTWQESA-N 454.618 5.532 50 10 JKGE CCc1ccc(C=NNC(=O)CSc2nnc(-c3ccc(C)cc3)n2-c2ccc(C)cc2)cc1 263629866 RDLKRLAZSSPDNE-UHFFFAOYSA-N 469.614 5.356 50 10 JKGE Cl[C@@H](c1ccc(Br)s1)c1cc(I)cc2c1OCC2 310992283 LTIIDRIILTWNFV-GFCCVEGCSA-N 455.542 5.378 50 10 JKGE C[C@@H]1C[C@H](n2c(CCl)nc3cc(I)c(F)cc32)CCN1Cc1ccccc1 379600710 AJVPUGLSPSFOIE-GDBMZVCRSA-N 497.783 5.744 50 10 JKGE Fc1cccc2c1nc(CCl)n2-c1cc(Br)ccc1I 380021722 HALVXWVHNSCCDO-UHFFFAOYSA-N 465.491 5.271 50 10 JKGE C[C@H]1CN(Cc2ccccc2)CC[C@H]1n1c(CCl)nc2cc(F)c(Br)cc21 397947753 JNSHFXJNYOHETJ-IFXJQAMLSA-N 450.783 5.760 50 10 JKGE 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 504248808 GDOXPOQXTZCSGF-UMIRYYOBSA-N 491.200 9.247 50 10 JKGE CC(C)(C)OC(=O)Nc1ccccc1[C@H]1CCOCCN1CCO[Si](C)(C)C(C)(C)C 616599834 XQEHRYLNPIGJKF-OAQYLSRUSA-N 450.696 5.819 50 10 JKGE CN(C(=O)OC(C)(C)C)c1ccccc1[C@@H]1CCCCN(CCO[Si](C)(C)C(C)(C)C)C1 616627449 FFXOXIOVWVKWOQ-OAQYLSRUSA-N 462.751 6.649 50 10 JKGE COc1cc([C@H](Br)c2occc2Br)c(OC)cc1Br 696528462 OUESKDWNXXGRJI-LBPRGKRZSA-N 454.940 5.306 50 10 JKGE C[C@@H](Br)C[C@H]1CCCCN1C(=O)c1scc(Br)c1Br 705420385 RMEKHMFDSYJJJS-RKDXNWHRSA-N 474.056 5.441 50 10 JKGE COc1ccc([C@@H](Br)c2ccc(I)c(Br)c2)cc1F 721616524 UUQWXHLPGJXAID-AWEZNQCLSA-N 499.943 5.686 50 10 JKGE Cc1cc(C=NNC(=O)[C@H](C)Sc2ccc(Cl)cc2)c(C)n1-c1cc(Cl)ccc1Cl 725427967 JKSNXWZOJGGRJP-HNNXBMFYSA-N 480.848 6.685 50 10 JKGE O=C(NN=C/C(Cl)=C/c1ccccc1)c1ccc(NN=C/C(Cl)=C/c2ccccc2)cc1 886000317 CFEUJCDNAHZPSL-CDQSOEADSA-N 463.368 6.360 50 10 JKGE COc1cc(C=NNC(=O)c2ccc(Cl)cc2Cl)ccc1OCc1ccc(C(=O)O)cc1 1083890368 QTZOQFFHVHGXTG-UHFFFAOYSA-N 473.312 5.043 50 10 JKGE COc1cc(/C=C(\C#N)C(=O)Nc2cccc(Cl)c2)ccc1OCc1cccc(C(=O)O)c1 1084510769 KOPMILIIAVZETR-VXLYETTFSA-N 462.889 5.171 50 10 JKGE COc1cc(C=NNC(=O)c2ccc(CSc3ccc(Cl)cc3)cc2)cc(OC)c1OC 1084544264 GEWVJFCUSMTHAS-UHFFFAOYSA-N 470.978 5.422 50 10 JKGE O=C(C=C(Sc1ccccc1)Sc1ccccc1)NN=Cc1ccc(Cl)cc1Cl 1084602056 YGGBTKSNGFWZDB-UHFFFAOYSA-N 459.423 6.870 50 10 JKGE CCOc1ccc([C@H]2CN(C(=O)OCc3ccccc3)C[C@@H]2CBr)cc1OCC 1614624313 PKHFCHGNONHGIJ-VQTJNVASSA-N 462.384 5.231 50 10 JKGE CC(C)Cc1ccc([C@@H]2CN(C(=O)OCc3ccccc3)C[C@@H]2CI)cc1 1614629644 UIGHQDVYTLUWCJ-VXKWHMMOSA-N 477.386 5.672 50 10 JKGE COc1ccc(N2C(=O)[C@@H](Cc3ccc(C)cc3)S/C2=C(\C#N)C(=O)N[C@H](C)c2ccccc2)cc1 1614653101 DRHOROZTFBNNQK-WDJISFPHSA-N 497.620 5.307 50 10 JKGE Cc1cccc(C(=O)NN=C2C(=O)N(Cc3ccccc3Cl)c3ccc(Br)cc32)c1 1772752348 YRMHUJQVKYRYCF-UHFFFAOYSA-N 482.765 5.092 50 10 JKGE C[C@@H](Oc1ccc(Cl)cc1Cl)C(=O)Nc1cc(C(=O)Nc2ccc(SC#N)cc2)ccn1 1860513791 IOLRLTWTKBMCGM-CYBMUJFWSA-N 487.368 5.620 50 10 JKGE COc1ccc(-c2nn(Cc3ccc(Cl)cc3)c3c2[C@@H](c2ccccc2)C(C#N)=C(N)O3)cc1 1865680425 KGDDWYXYODBICA-QHCPKHFHSA-N 468.944 5.479 50 10 JKGE Cc1ccc(COc2ccc([C@H]3C(C#N)=C(N)Oc4c3c(C)nn4-c3cccc(Cl)c3)cc2)cc1 1865694382 XHIRTGDGFSRHGY-SANMLTNESA-N 482.971 5.940 50 10 JKGE N#CC1=C(N)Oc2c(c(C(F)(F)F)nn2Cc2cccc(Cl)c2)[C@@H]1c1c[nH]c2ccccc12 1865700617 ZBKZAFPAYOSWQN-SFHVURJKSA-N 469.854 5.303 50 10 JKGE C[C@H](C(=O)N[C@H](CSCc1ccccc1)C(=O)Nc1ccc(SC#N)cc1)C1CCCC1 1867023097 ZMAVCTKPIYKTQH-FDDCHVKYSA-N 467.660 5.443 50 10 JKGE CC(C)(NC(=O)C[C@@H](c1ccccc1)c1ccc(F)c(F)c1)C(=O)Nc1ccc(SC#N)cc1 1867122792 MQDLQGDPDWFPLP-NRFANRHFSA-N 479.552 5.593 50 10 JKGE CCCc1nc(Nc2ccc(SC#N)cc2)cc(N2CCO[C@H](c3cccc(Cl)c3)C2)n1 1868389462 VKMNJSFUWAHSON-NRFANRHFSA-N 466.010 5.977 50 10 JKGE O=c1cc(-c2cc3cc(Cl)ccc3oc2=O)c2ccc(OCc3cccc(CCl)c3)cc2o1 1871436946 DOCGTPLQXVQKPN-UHFFFAOYSA-N 479.315 6.538 50 10 JKGE COc1cc(/C(O)=C(\C#N)c2nc(-c3ccc4c(c3)CCCC4)cs2)c([N+](=O)[O-])cc1OC 1872745678 XYXGOBMPWAHUKN-NKFKGCMQSA-N 463.515 5.564 50 10 JKGE COc1ccc(/C=C/C(O)=C(\C#N)c2nc(-c3cccc(Br)c3)cs2)c(OC)c1 1872745939 KRDMDEHXAISRGB-BLZZZOFZSA-N 469.360 6.096 50 10 JKGE CCOc1ccc(-c2csc(/C(C#N)=C(\O)COc3ccc(C)cc3C(C)(C)C)n2)c(OCC)c1 1872755545 SHNXHZYTJZGVMR-FLFQWRMESA-N 492.641 7.085 50 10 JKGE N#C/C(=C(/O)[C@@H]1CC(=O)N(Cc2ccccc2)C1)c1nc(-c2cc(Cl)ccc2Cl)cs1 1872758357 XCMVTQKYIXLMOX-VGLIXDPASA-N 470.381 5.958 50 10 JKGE COc1ccc(-c2csc(/C(C#N)=C(\O)c3c(Cl)ccc(Cl)c3Cl)n2)c(OC)c1OC 1872759352 LLBFYWHWRZCAOV-WQRHYEAKSA-N 497.787 6.746 50 10 JKGE COc1ccc(Cl)cc1-c1csc(/C(C#N)=C/c2ccccc2OCc2ccc(Cl)cc2)n1 1872795344 ZZFAWVSWAMQYFG-XDHOZWIPSA-N 493.415 7.769 50 10 JKGE O=C(Cc1ccc(Br)cc1)N(Cc1ccccc1)[C@H](CBr)C1CC1 1915276615 ROUIDSRFIFXFPM-LJQANCHMSA-N 451.202 5.194 50 10 JKGE Cc1cc(Br)cc(C(=O)N(Cc2ccccc2)[C@@H](CBr)C(C)C)c1 1915297230 DSBRXTSDCLILHJ-IBGZPJMESA-N 453.218 5.819 50 10 JKGE Clc1cc([C@@H](Br)c2sc(Br)cc2Br)cs1 1922892525 SBPCGLDPMWRYMY-MRVPVSSYSA-N 451.430 6.472 50 10 JKGE Cc1c(Br)sc([C@H](Br)c2cccc3ccsc23)c1Br 1922894863 PDQVNESLACRBON-LLVKDONJSA-N 481.072 7.281 50 10 JKGE C[C@@H](c1ccncc1Br)[C@H](Br)c1cc(Cl)ccc1Br 1924039256 JZEUTAHHTMJLCM-RTHLEPHNSA-N 468.414 6.500 50 10 JKGE Cl[C@H](C[C@H]1C[C@H]1C1CC1)c1c(Br)sc(Br)c1Br 1924612914 OZELRXHUAWBQIE-GJMOJQLCSA-N 463.460 6.752 50 10 JKGE C[C@@H]1CO[C@H]([C@@H](Br)c2c(Br)sc(Br)c2Br)C1 1924613215 HKBVNTMVBFWPPF-KZLJYQGOSA-N 497.872 5.897 50 10 JKGE CC(C)C[C@@H](C)[C@@H](Br)c1c(Br)sc(Br)c1Br 1924614593 ZKZOOKBWRQRDJE-HTRCEHHLSA-N 497.916 7.154 50 10 JKGE FC(F)(F)CN(Cc1ccccc1)c1c(CBr)ccc(Br)c1Cl 1939330305 VFQVWWKBMJRHHU-UHFFFAOYSA-N 471.542 6.566 50 10 JKGE Clc1cc([C@@H](Cl)c2cccc(Br)c2Br)sc1Br 1943902321 DKROGHNYXVUHLZ-JTQLQIEISA-N 479.846 7.017 50 10 JKGE CCn1ncc(Br)c1[C@@H](Cl)c1cc(Br)sc1Br 1945454850 WCKYZFWTCTYXQU-QMMMGPOBSA-N 463.420 5.580 50 10 JKGE Cc1cc(Br)c([C@H](Br)[C@H]2C[C@H](Br)C2)cc1Br 1991429167 GPANRUZZNCFRKH-DNSOKLHBSA-N 475.844 6.130 50 10 JKGE CN(Cc1ccc(I)c(Cl)c1)C[C@@H](Cl)COCc1ccccc1 1995479404 PKUCSAGRKMHVHE-MRXNPFEDSA-N 464.174 5.201 50 10 JKGE COc1cc(C(=O)N(Cc2ccccc2)C(C)(C)CBr)ccc1Br 2017223052 YSMSYPLQKFSNQG-UHFFFAOYSA-N 455.190 5.274 50 10 JKGE Fc1cc(Cl)c([C@@H](Br)c2sccc2I)cc1Cl 2024601982 OHLZQXRRQCYBNO-SNVBAGLBSA-N 465.940 6.283 50 10 JKGE CCCc1ccc([C@@H](Br)c2cc(Br)cc(Br)c2)s1 2027133623 WGDQBXNOVDOSMK-AWEZNQCLSA-N 453.037 6.710 50 10 JKGE N#CC(C(=O)COC(=O)c1c2c(nc3ccccc13)C(=Cc1ccco1)CC2)=C1Nc2ccccc2N1 2040417241 XBVYNSPFQCBSDQ-UHFFFAOYSA-N 488.503 5.313 50 10 JKGE Brc1cc([C@H](Br)[C@@H]2C[C@H]2C2CCCCC2)c(Br)s1 2079384644 ITWYIDWXROZUGJ-OPQQBVKSSA-N 457.069 6.926 50 10 JKGE Cc1cc(Br)c(C)c([C@@H](Cl)c2nscc2Br)c1Br 2081070036 HDSIHXXHQWUPSX-LLVKDONJSA-N 474.443 6.376 50 10 JKGE CC(C)(C)OC(=O)NCCSSCCN[C@@H]1CCCN(C(=O)OC(C)(C)C)C12CCCC2 2083793468 ZQXMHFKQJWMYOO-GOSISDBHSA-N 489.748 5.194 50 10 JKGE Fc1cc(Br)c(Cl)cc1[C@@H](Cl)Cc1ccccc1I 2087569879 LRICAFZCOOOFFK-NSHDSACASA-N 473.938 6.369 50 10 JKGE Clc1cc(CBr)ccc1OCc1c(Br)cccc1Br 2094090487 HUSNNAAUHKTSKF-UHFFFAOYSA-N 469.398 6.339 50 10 JKGE C[C@H]1CN(Cc2ccccc2)C[C@H](C)N(c2c(CCl)ccc(Br)c2Cl)C1 2098117284 NXFSODYIOLRVFY-HOTGVXAUSA-N 456.255 6.188 50 10 JKGE FC1(CC(CBr)(CBr)c2ccccc2Br)CCCC1 2109642355 UMFIBBBENFQZKT-UHFFFAOYSA-N 457.019 6.149 50 10 JKGE C[C@H](CCn1c(CCl)nc2cc(Cl)c(Br)cc21)N(C)Cc1ccccc1 2112691348 RLYDUTNMDCOQNA-CQSZACIVSA-N 455.227 6.102 50 10 JKGE BrC[C@]1(Cc2cccc(Br)c2Br)CCCCC12CC2 2117002955 CBSUINCKSANXQT-MRXNPFEDSA-N 451.040 6.490 50 10 JKGE Brc1ccc(Br)c(CN2CC[C@@H]3C[C@@H](Br)CC[C@@H]32)c1 2118524079 FPCJUPOJNQSIRB-DGFSRKRXSA-N 452.028 5.350 50 10 JKGE Cc1cccc(C[C@H](CBr)Cc2ccccc2Br)c1Br 2144189395 DUZWETADJHBHIE-CYBMUJFWSA-N 461.035 6.316 50 10 JKGE C[C@@H]1CC[C@H](C(C)(C)Cc2cccc(Br)c2Br)[C@H](Br)C1 2148750306 KPHQQODDKIMIBZ-OSAQELSMSA-N 467.083 6.980 50 10 JKGE O=C(NC[C@H]1CC12CCC(Br)CC2)c1scc(Br)c1Br 2157504929 RVJFNTOQSRNQBH-NQTXRORDSA-N 486.067 5.347 50 10 JKGE CC(C)(C)C1CC(COc2c(Br)cc(CBr)cc2Br)C1 2161263188 MXJQIOVMONSVQI-UHFFFAOYSA-N 469.055 6.558 50 10 JKGE CCCc1ncc(COc2c(Br)cc(Br)cc2CBr)s1 2172971154 OFJLYDCJAOTTIA-UHFFFAOYSA-N 484.051 6.095 50 10 JKGE COc1ccc(S(=O)(=O)N(Cc2ccccc2)[C@H](C)C(C)(C)C)cc1CBr 2179857856 FYGLXSARZGCRHE-MRXNPFEDSA-N 454.430 5.216 50 10 JKGE CC(C)(C)[C@H]1[C@@H](Br)CCN1C(=O)c1cccc(Br)c1Br 2185106857 BCWDZWREJBOVAC-WCQYABFASA-N 468.027 5.236 50 10 JKGE CCc1nn(C)c([C@@H](Br)c2cc(C3CC3)c(Br)s2)c1Br 2192384999 NRLSFVVHZXYMCZ-LBPRGKRZSA-N 483.067 5.931 50 10 JKGE COc1c(C)cc(Br)cc1[C@H](Br)c1ccc(C)cc1Br 2206599307 UJHXJEUCFFEXST-OAHLLOKOSA-N 463.007 6.321 50 10 JKGE CC(C)[C@@H](CBr)N(Cc1ccccc1)C[C@@H]1CC1(Br)Br 2209114821 ZTJOHCJNSCJKLZ-LSDHHAIUSA-N 468.071 5.414 50 10 JKGE Cc1sc([C@H](Cl)c2sc(Br)cc2Br)c(C)c1Br 2213744077 VFFACCKKFBRBIH-VIFPVBQESA-N 479.484 7.042 50 10 JKGE Brc1cc([C@H](Br)[C@@H]2C[C@H]3CCC[C@H](C3)C2)c(Br)s1 2218348387 BOQUZLVYPXSJMS-KEPMVKOISA-N 457.069 6.926 50 10 JKGE Cc1csc([C@H](Br)c2cc(Br)c(Br)cc2F)c1Cl 2218595739 AODCTORWJLOZIT-SNVBAGLBSA-N 477.418 6.858 50 10 JKGE Cc1c(Br)csc1[C@@H](Cl)c1ccc(Br)c(C)c1Br 2219003022 MQXJPWBAQSQPHQ-LBPRGKRZSA-N 473.455 6.981 50 10 JKGE Cc1cc(Br)c([C@H](Cl)c2c(Br)cc(Cl)c(Cl)c2Cl)s1 2229317127 DXZUQAZNOVRIKD-LLVKDONJSA-N 483.867 7.870 50 10 JKGE CCOCc1cc(Br)c([C@@H](Br)c2cccc(C)c2Br)s1 2233022217 ORNUZCYBIYUNBU-AWEZNQCLSA-N 483.063 6.602 50 10 JKGE BrCc1cc(Br)cc(Br)c1OC[C@@H]1OC[C@H]2CCC[C@H]21 2233359498 DLWDAMLZSSJHMW-IUPBHXKESA-N 469.011 5.300 50 10 JKGE Cc1cc(Br)c([C@@H](Br)C2CC3(C2)CC32CC2)c(C)c1Br 2235608095 ILUCLLGURWZREC-XNYLIXPXSA-N 463.051 6.845 50 10 JKGE Cc1cc(Br)c([C@@H](Cl)c2cc(C)c(Br)c(C)c2)cc1Br 2235679448 QZIMHDUEFANKCM-INIZCTEOSA-N 481.453 7.228 50 10 JKGE Fc1ccc([C@H](Br)c2c(F)cc(F)c(Br)c2F)c(Br)c1 2236106458 DFPJGWHVFURCTB-NSHDSACASA-N 476.887 6.252 50 10 JKGE C=CC[C@@]1(CBr)CCCCN1c1ncc(Br)cc1Br 2272084597 MVSIXBVYHAAQKK-AWEZNQCLSA-N 453.016 5.307 50 10 JKGE Cc1sc([C@H](Cl)c2c(F)cc(Br)c(F)c2Br)cc1Br 2272721168 FCDVFOKVJNATIA-NSHDSACASA-N 495.408 6.950 50 10 JKGE CO[C@@H]1CC[C@H]([C@H](Br)c2c(F)cc(Br)c(F)c2Br)C1 2272725804 GEMDLTFRCUAOEF-CVJICSNFSA-N 462.954 5.741 50 10 JKGE Fc1cc(Br)c(F)c(Br)c1[C@H](Br)[C@H]1C2C[C@@H]3C1[C@@H]3C2 2272748355 UZOWMMGMHSMECR-XAAGVGRASA-N 456.950 5.828 50 10 JKGE Cc1cc(Br)c([C@@H](Cl)c2cc(Br)cc(Br)c2)c(C)c1F 2279155145 AECDSFVWRZCLRS-AWEZNQCLSA-N 485.416 7.058 50 10 JKGE COc1sc([C@H](Br)c2sc(C(F)(F)F)cc2C)cc1Br 2295259015 QSTVCEWGQJLEPH-VIFPVBQESA-N 450.139 6.392 50 10 JKGE COc1c(Br)cc(Cl)cc1[C@H](Br)c1nn(C)c(Cl)c1Cl 2295265893 WOEUTEYTQLHPRE-QMMMGPOBSA-N 463.384 5.636 50 10 JKGE CCOc1ccccc1[C@@H](Br)Cc1cc(Br)cc(Br)c1 2295346117 VLPCSGUICWBOCI-HNNXBMFYSA-N 463.007 6.289 50 10 JKGE CC(C)OC(=O)c1ccsc1NC(=O)C(C#N)=Cc1cn(Cc2ccccc2F)c2ccccc12 2295672411 VTSDZKCBTZUXRD-UHFFFAOYSA-N 487.556 6.001 50 10 JKGE C=CCOc1ccc(-c2nn(-c3ccccc3)cc2C=C(C#N)C(=O)NCc2ccccc2)cc1C 2296729565 YGXYUVATMPJKKP-UHFFFAOYSA-N 474.564 5.636 50 10 JKGE Cc1sc(Br)cc1[C@H](Cl)c1ccc(OCc2ccccc2)cc1Br 2299508093 IDSONUCKLDMUQP-LJQANCHMSA-N 486.656 7.489 50 10 JKGE FC(F)C(F)(F)C[C@H](Br)c1cc(Br)ccc1OCc1ccccc1 2299535780 SJKAWTIUHWIQSV-AWEZNQCLSA-N 470.098 6.755 50 10 JKGE CCOc1cccc(NC(=O)C(C#N)=Cc2cc(C)n(-c3ccc(C(=O)O)c(Cl)c3)c2C)c1 2313565176 YBAIDGSZIWVCRK-UHFFFAOYSA-N 463.921 5.390 50 10 JKGE Fc1cc(Cl)c(Br)c(Cl)c1[C@@H](Br)c1cocc1Br 2313743827 GHCYHMDNAIDMMB-VIFPVBQESA-N 481.768 6.735 50 10 JKGE Brc1cc(OCc2ccccc2)ccc1[C@@H](Br)C[C@@H]1CCC[C@@H]2C[C@H]12 2314499374 BWMYOZPAFCNXST-SEONNTABSA-N 464.241 7.290 50 10 JKGE CCOC(=O)c1c(NC(=O)C(C#N)=Cc2ccc(OC)c(OC(C)C)c2)sc2c1CCCC2 2314571575 HVTKHQBPAHGUIV-UHFFFAOYSA-N 468.575 5.145 50 10 JKGE CCOC(=O)C(C#N)=Cc1ccc(OC(=O)CCCOc2ccc(C(C)C)cc2)c(OCC)c1 2314774025 PALYGSOHAMEIIU-UHFFFAOYSA-N 465.546 5.443 50 10 JKGE FC(F)(F)[C@@H]1CCO[C@@H]1[C@@H](Br)c1sc(Cl)cc1I 2316597065 MUFBGSHRRIVJIU-VXFFBNABSA-N 475.495 5.410 50 10 JKGE N#CC(C(=O)CSc1ncnc2sc(-c3ccccc3)cc12)=C1Nc2ccccc2S1 2320729545 FXRYQWVPGFJVKQ-UHFFFAOYSA-N 458.593 5.972 50 10 JKGE CCOc1ccc(C=NNC(=O)c2ccc3[nH]c4c(c3c2)C[C@H](C)CC4)cc1Br 2323168524 FDAOVLRUIOKOMW-CQSZACIVSA-N 454.368 5.218 50 10 JKGE COc1ccc(Cc2nc3ccc(C(=O)NN=Cc4ccc(OC(C)(C)C)cc4)cc3[nH]2)cc1 2323720853 MFKGUXKYDYZJFZ-UHFFFAOYSA-N 456.546 5.104 50 10 JKGE CCOC(=O)c1ccc(NC(=O)C(C#N)=CNc2cc(C(F)(F)F)cc(C(F)(F)F)c2)cc1 2324339153 HZIQEDAZNVPDCO-UHFFFAOYSA-N 471.357 5.359 50 10 JKGE CC[C@@H](NC(=O)C(C#N)=CNc1ccc(Br)c(C)c1)c1ccc2c(c1)CCCC2 2325092984 QSCMBFQOMGOSFS-HSZRJFAPSA-N 452.396 5.723 50 10 JKGE Cc1cccc(N2CCN(C=C(C#N)C(=O)Nc3ccccc3Sc3ccccc3)CC2)c1 2325339542 YGNCKZJVGCHDNY-UHFFFAOYSA-N 454.599 5.314 50 10 JKGE CC[C@@H](C)[C@H](C(O)=C(C#N)c1nc(-c2ccccc2OC)cs1)N1C(=O)c2ccccc2C1=O 2331282298 ARMXHAQSXOGWEQ-IVZQSRNASA-N 473.554 5.322 50 10 JKGE CCCOc1ccc(-c2csc(C(C#N)=C(O)Cc3ccccc3[N+](=O)[O-])n2)cc1OCCC 2331293252 NGCAUPVNCJMZRA-UHFFFAOYSA-N 479.558 6.331 50 10 JKGE CCOc1ccc(-c2csc(C(C#N)=C(O)c3cc(OC)c(OC)cc3[N+](=O)[O-])n2)cc1 2331305694 IRPOAUIUAMGTTH-UHFFFAOYSA-N 453.476 5.084 50 10 JKGE N#CC(=C(O)COc1cc(Cl)ccc1Cl)c1nc(-c2ccc(Cl)c(Cl)c2)cs1 2331311645 IVPZSMLKLBZJGW-UHFFFAOYSA-N 472.180 7.295 50 10 JKGE Cc1ccc(C)c(-c2csc(C(C#N)=C(O)c3ccc4c(c3)C(=O)N(Cc3ccccc3)C4=O)n2)c1 2331319605 OUDDOXGXQSLAOT-UHFFFAOYSA-N 491.572 6.173 50 10 JKGE COc1ccc(-c2csc(C(C#N)=C(O)C=Cc3cc(OC)c(OC)c(OC)c3)n2)cc1F 2331337040 SSGGGRQHEXJSOZ-UHFFFAOYSA-N 468.506 5.490 50 10 JKGE Cc1cc(OCCCC(O)=C(C#N)c2nc(-c3cccc4ccccc34)cs2)cc(C)c1Cl 2331339541 OXWDPAXILFKEHO-UHFFFAOYSA-N 475.013 7.885 50 10 JKGE COc1c(C)cc(C)cc1-c1csc(C(C#N)=C(O)COc2cc(Cl)ccc2Cl)n1 2331373157 GTIXZUBIKIYHGG-UHFFFAOYSA-N 461.370 6.614 50 10 JKGE CC(C)N1C(=O)c2ccc(C(O)=C(C#N)c3nc(-c4cc(Cl)ccc4Cl)cs3)cc2C1=O 2331404098 YYZKEJBNNBUHHS-UHFFFAOYSA-N 484.364 6.071 50 10 JKGE CCCOc1ccc(-c2csc(C(C#N)=Cc3cccc4ccccc34)n2)cc1OCCC 2331437942 WAZPRYVSESEQQK-UHFFFAOYSA-N 454.595 7.605 50 10 JKGE CC1(C)CCC[C@@H]1[C@@H](Br)c1c(Cl)cc(Br)c(F)c1Br 2337091833 HPXUBHZCMOFLKO-RDDDGLTNSA-N 477.437 7.266 50 10 JKGE Clc1cc(I)c([C@H](Br)[C@@H]2C[C@H]3CCCCCC[C@H]32)s1 2338560447 LIUUQCFMSPBVGX-ZHSDAYTOSA-N 473.645 7.049 50 10 JKGE Cc1c(Br)ccc([C@@H](Br)[C@H]2CC[C@@H]3[C@H](C2)C3(F)F)c1Br 2358114092 DCZBSMMJCVSPOO-ZMZKGCHWSA-N 472.993 6.637 50 10 JKGE Fc1cc(Cl)c(Br)c(Cl)c1[C@H](Br)[C@@H]1[C@H]2CCC(F)(F)[C@H]21 2360425110 ZJCZAHOJEKTTBK-VFGOMAFISA-N 452.923 6.622 50 10 JKGE FC(F)(F)[C@]12C[C@]([C@H](Br)c3c(Cl)sc(Br)c3Cl)(CO1)C2 2363843064 DRELRUIXEKIJPA-BDODKLCJSA-N 474.951 6.365 50 10 JKGE Cc1cc(Br)c([C@@H](Cl)c2ccc(Cl)c(Cl)c2C)cc1Br 2364437205 JZAGXPOLLUNCOH-HNNXBMFYSA-N 457.420 7.463 50 10 JKGE COc1c(Br)cc(C)c([C@H](Br)[C@@H]2C[C@@H]2[C@H]2C[C@H]2C)c1Br 2365192566 WMRMWKSBIDLRLM-RSGNJUIDSA-N 467.039 6.257 50 10 JKGE Cc1ccc(C[C@H]2S/C(=C(\C#N)C(=O)Nc3cccc(C)c3)N(c3ccccc3)C2=O)cc1 2363703 STIFKEYWQFARPY-GUNDDFSMSA-N 453.567 5.368 50 10 JKGE COc1ccc(C)cc1N(C(=O)CCl)[C@@H](C(=O)NC1CCCCC1)c1ccc(Cl)cc1 3035288 GYOMKKXCAZKRLE-HSZRJFAPSA-N 463.405 5.419 50 10 JKGE N#C/C(=C/c1ccc(N2N=C(c3ccccc3)C[C@@H]2c2ccccc2)cc1)C(=O)Nc1ccccc1 33568738 ZLEXXQNVLOUFBF-LULHQEEUSA-N 468.560 6.588 50 10 JKGE CCOc1ccc(NC(=O)/C(C#N)=C\c2ccc(OCC(=O)Nc3cccc(Cl)c3)cc2)cc1 33775883 QTYNVLZHMDSOTK-RGEXLXHISA-N 475.932 5.302 50 10 JKGE CCCCOc1ccc(C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@@H]3c2cccc(OC)c2)cc1 38650189 VKDRFBCFASAUQH-AREMUKBSSA-N 470.525 5.311 50 10 JKGE CCc1ccc(OCC(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@H]3c2c(Cl)cccc2Cl)cc1 38679971 CIOUAKOMRAPBQV-DEOSSOPVSA-N 495.362 5.758 50 10 JKGE CCCCOc1ccccc1[C@H]1C(C#N)=C(N)Oc2cc(OC(=O)COc3ccc(CC)cc3)ccc21 38683056 JMOAKWDJLIXJBU-GDLZYMKVSA-N 498.579 5.630 50 10 JKGE CC(C)c1ccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4cc5ccccc5oc4=O)ccc32)cc1 38687048 VCTQUDDQMGKWQT-SANMLTNESA-N 478.504 5.354 50 10 JKGE CCOc1cc(/C=C2/C(=O)N(C3CCCC3)C(=O)C(C#N)=C2C)ccc1OCc1ccccc1Cl 40514574 QRKXWLKYTOWVCP-HYARGMPZSA-N 490.987 5.853 50 10 JKGE COc1ccc(/C=N/NC(=O)C(c2ccccc2)c2ccccc2)cc1COc1ccc([N+](=O)[O-])cc1 59120145 SZHIBWJPDRTAET-NDZAJKAJSA-N 495.535 5.465 50 10 JKGE Cc1ccc(COc2ccc(Br)cc2/C=C(/C#N)C(=O)Nc2cccc([N+](=O)[O-])c2)cc1 59291934 VMCRDENMVWLCGL-ODLFYWEKSA-N 492.329 5.790 50 10 JKGE CCCCCCCCCCCCCCCCCCOC(=S)N[C@H]1CS(=O)(=O)C[C@@H]1Cl 59568242 HWKNHUMEPADBTI-VXKWHMMOSA-N 482.196 6.543 50 10 JKGE Fc1cc(Br)c(Cl)cc1[C@H](Cl)c1cc(Br)c(Br)s1 97895369 QYWKSHFKHVYWCA-JTQLQIEISA-N 497.836 7.156 50 10 JKGE Cc1ccc(NC(=O)/C(C#N)=C2/S[C@H](Cc3ccccc3)C(=O)N2c2ccc(Cl)cc2)cc1 102973839 QBOUUKUTLYJESZ-QPQMVVSWSA-N 473.985 5.713 50 10 JKGE Cc1ccc([N+](=O)[O-])cc1NC(=O)/C(C#N)=C\c1ccc(-c2ccc(Br)cc2)o1 103485495 SYEGAEGLXSAVPK-GDNBJRDFSA-N 452.264 5.471 50 10 JKGE Clc1cc(Br)ccc1[C@H](Br)c1cc(Cl)c(Br)s1 127511800 UWOMOJSIFQRVSU-JTQLQIEISA-N 479.846 7.064 50 10 JKGE O=C1COc2ccc([C@H](Br)c3cc(Br)c(Br)s3)cc2N1 128554831 GEPHRJCLGGBRDF-LBPRGKRZSA-N 481.991 5.088 50 10 JKGE CC1(C)CC[C@@H](CC(CBr)(CBr)c2ccc(Br)cc2)O1 161378139 QQIJYBZBCZCXQR-AWEZNQCLSA-N 469.055 5.824 50 10 JKGE N#C/C(=C\c1cn(Cc2ccc([N+](=O)[O-])cc2)c2ccccc12)C(=O)Nc1cccc(Cl)c1 214019348 GVRSEUHAVNGUQA-LDADJPATSA-N 456.889 5.797 50 10 JKGE O=C1NCCCc2ccc([C@H](Br)c3cc(Br)c(Br)s3)cc21 228228657 SUFWOYRTIJQBOV-ZDUSSCGKSA-N 494.046 5.433 50 10 JKGE CCCOc1ccc([C@@H](Br)c2ccc(Br)c(C)c2)cc1Br 229006107 DVPKJYKAEFUMBN-KRWDZBQOSA-N 477.034 6.793 50 10 JKGE ClCc1nc2ccc(Br)cc2n1-c1ccc(Cl)cc1I 232253186 ZMWZBLJDOSQYBJ-UHFFFAOYSA-N 481.946 5.785 50 10 JKGE Brc1cc([C@H](Br)c2ccoc2Br)sc1Br 232481760 KGMGSVDPCALBRX-SSDOTTSWSA-N 479.813 6.113 50 10 JKGE Cc1cc(Br)c([C@@H](Cl)c2cccc(C)c2Br)cc1Br 235815164 UHGDNZNLBMUEQP-HNNXBMFYSA-N 467.426 6.919 50 10 JKGE COc1ccc(C=NNC(=O)c2ccc(Cl)cc2Cl)cc1COc1cccc2cccnc12 252611383 IJQWGVVMCNIEMY-UHFFFAOYSA-N 480.351 5.893 50 10 JKGE CCCCCCCCCC(=O)NCC(=O)NN=Cc1ccc(OC(=O)/C=C\c2ccccc2)cc1 254852893 BJRZWWCADJSNNE-VMTSYCAQSA-N 477.605 5.012 50 10 JKGE FC(F)(F)SCCOc1c(Br)cc(Br)cc1CBr 311215856 RRVMTWWSZLRWRL-UHFFFAOYSA-N 472.946 5.738 50 10 JKGE C[C@@H]1CC[C@H](Oc2c(Br)cc(Br)cc2CBr)C[C@H]1C 311647765 SVSLUJNQTWFVNG-BREBYQMCSA-N 455.028 6.310 50 10 JKGE Cc1cc(C)c([C@H](Cl)c2cc(Br)ccc2Br)c(C)c1Br 312520859 FXCPFCWTNUQGBX-MRXNPFEDSA-N 481.453 7.228 50 10 JKGE Cc1cc(Br)c([C@@H](Br)[C@@H](C)CC(F)(F)F)cc1Br 402510676 IPZCFGPULXYPFK-CPCISQLKSA-N 452.934 6.545 50 10 JKGE 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 504051081 PRYJZWFEVZHKQI-HAXSFJIPSA-N 477.173 8.857 50 10 JKGE C[C@@H](Br)C[C@H]1CCCN1C(=O)c1scc(Br)c1Br 705407999 DXGFWFQKOHCWAK-HTQZYQBOSA-N 460.029 5.051 50 10 JKGE C[C@H]1CN(Cc2ccccc2)C[C@@H]1Cn1c(CCl)nc2ccc(F)c(Br)c21 708580923 CSNAIMYLKCQQJY-GOEBONIOSA-N 450.783 5.445 50 10 JKGE Brc1cc([C@H](Br)Cc2ccccc2)ccc1I 721608171 DZATXMJEXYTWDH-GFCCVEGCSA-N 465.954 5.732 50 10 JKGE CC(C)(C)OC(=O)n1ccc2cc(Nc3ccc(O[Si](C)(C)C(C)(C)C)c(Cl)c3)ccc21 725238535 MATJIRMEIPNVIW-UHFFFAOYSA-N 473.089 8.206 50 10 JKGE O=C(NN=Cc1ccc(-c2cccc(Cl)c2)o1)C(=O)Nc1ccc(OCc2ccccc2)cc1 1084114682 OUFMXWGOQVHYBI-UHFFFAOYSA-N 473.916 5.268 50 10 JKGE CCOC(=O)c1ccc(-c2ccc(C=NNC(=O)CSCc3cc(C)cc(C)c3)o2)cc1 1084364602 LQZXSEAVLSGZHK-UHFFFAOYSA-N 450.560 5.124 50 10 JKGE O=C(NN=Cc1ccc(OCc2ccccc2Cl)cc1)c1cccc(I)c1 1084419106 QHTWWFVQLVAACR-UHFFFAOYSA-N 490.728 5.288 50 10 JKGE COc1cc(/C=C(\C#N)C(=O)N(C)C)c(Br)cc1OCc1ccc(Cl)c(Cl)c1 1084454756 IMALPNXHYCMOTE-VGOFMYFVSA-N 484.177 5.339 50 10 JKGE CCCCCCOc1ccc(C=NNC(=O)COc2ccc(Br)c(C)c2)cc1OC 1772754411 GZUZCLXECNMVCE-UHFFFAOYSA-N 477.399 5.254 50 10 JKGE N#CC1=C(N)Oc2c(c(C(F)(F)F)nn2-c2ccccc2)[C@H]1c1ccc(Cl)c(Cl)c1 1865686373 VQNWFSXOIMOJPN-HNNXBMFYSA-N 451.235 5.416 50 10 JKGE N#CC1=C(N)Oc2c(c(-c3ccccc3)nn2Cc2ccc(F)cc2)[C@@H]1c1c(F)cccc1Cl 1865686703 ZQBJROZOMPXPQG-NRFANRHFSA-N 474.898 5.748 50 10 JKGE CCCCCOc1ccc([C@@H]2C(C#N)=C(N)Oc3c2c(C(F)(F)F)nn3-c2ccccn2)cc1 1865690579 VQTMGOXPYSVPFP-LJQANCHMSA-N 469.467 5.073 50 10 JKGE CCCOc1ccc([C@@H]2C(C#N)=C(N)Oc3c2c(CC)nn3-c2ccc(Br)cc2)cc1 1865694294 SPARBRAIVUZXRA-OAQYLSRUSA-N 479.378 5.204 50 10 JKGE CCc1nn(-c2ccccn2)c2c1[C@@H](c1ccccc1OCc1ccccc1Cl)C(C#N)=C(N)O2 1865702880 HMURTANMFQFQJL-DEOSSOPVSA-N 483.959 5.280 50 10 JKGE Cc1ccccc1COc1ccc([C@H]2C(C#N)=C(N)Oc3c2c(-c2ccccc2)nn3CC(C)C)cc1 1865703225 QLILKEUKBNGESW-MHZLTWQESA-N 490.607 6.312 50 10 JKGE CCc1nn(Cc2ccc(Cl)c(Cl)c2)c2c1[C@@H](c1ccc(OC)c(OC)c1)C(C#N)=C(N)O2 1865707672 CQXQLCMJFSHQBW-NRFANRHFSA-N 485.371 5.036 50 10 JKGE CCc1nn(Cc2c(F)cccc2Cl)c2c1[C@H](c1ccc(C(F)(F)F)cc1)C(C#N)=C(N)O2 1865711071 OXYSCBGZGLOYJA-LJQANCHMSA-N 476.861 5.523 50 10 JKGE Cc1ccc(OCC(=O)NNC(=O)c2ccc(-c3ccc(C)c(C)c3)nc2C)c(C(C)(C)C)c1 1865756210 MLGDQXXAJSTBDH-UHFFFAOYSA-N 459.590 5.120 50 10 JKGE Cc1oc2cc(OCc3cccc(CCl)c3)ccc2c(=O)c1-c1ccc(Br)cc1 1871437083 HYRUVMSNUMTGJM-UHFFFAOYSA-N 469.762 6.849 50 10 JKGE CCc1ccc(-c2csc(/C(C#N)=C(\O)[C@H]3CC(=O)N(c4c(CC)cccc4CC)C3)n2)cc1 1872744408 QJUQJAMPMVZIES-PCRNYRQLSA-N 471.626 6.343 50 10 JKGE CCCCc1ccc(-c2csc(/C(C#N)=C(O)/C=C/c3ccc(Cl)c(Cl)c3)n2)cc1 1872744955 QSMPNJBVMHCTNO-HAKBYTDPSA-N 455.410 7.966 50 10 JKGE COc1ccc(OC/C(O)=C(\C#N)c2nc(-c3cccc(Br)c3)cs2)c(C(C)(C)C)c1 1872745783 CLEWLGTYXSTVAB-UZYVYHOESA-N 499.430 6.750 50 10 JKGE CC[C@H](C)[C@@H](/C(O)=C(\C#N)c1nc(-c2ccc3c(c2)OCO3)cs1)N1C(=O)c2ccccc2C1=O 1872752746 QJOKYFZJCBZVGG-MAEFBQRMSA-N 487.537 5.042 50 10 JKGE COc1cc(/C=C(\C#N)c2nc(-c3ccc(F)cc3)cs2)ccc1OCc1ccc(C)cc1 1872791834 UDOSNLDOZYEXBM-LPYMAVHISA-N 456.542 6.909 50 10 JKGE COc1cc(OC)c(-c2csc(/C(C#N)=C/c3ccc(OC(C)C)c(OC)c3)n2)cc1Cl 1872793520 DMRGRNLQSOLUDM-LZYBPNLTSA-N 470.978 6.341 50 10 JKGE N#C/C(=C(/O)CN1C(=O)COc2ccc(Cl)cc21)c1nc(-c2ccc(-c3ccccc3)cc2)cs1 1873941152 YPFSPGRNVPWKMZ-FLFQWRMESA-N 499.979 6.349 50 10 JKGE COc1cc([C@H](Br)c2sc(C)c(Br)c2C)ccc1Br 1876918215 CVZQLTCTRQVFSN-ZDUSSCGKSA-N 469.036 6.383 50 10 JKGE Cc1nn(C)c([C@@H](Br)c2cc(F)c(Br)cc2F)c1Br 1877177680 ZUNIRXYEZNAGNI-NSHDSACASA-N 458.926 5.016 50 10 JKGE COc1cc(C)c([C@@H](Br)c2ccccc2OCc2ccccc2)cc1Br 1901677790 SVJASBMGGILEJN-QFIPXVFZSA-N 476.208 6.829 50 10 JKGE ClCC[C@@H](COCc1ccccc1)NCc1ccc(Cl)cc1I 1902900222 CKAGNECPYQTQLL-KRWDZBQOSA-N 464.174 5.249 50 10 JKGE C[C@@H]1CC[C@@H](Cc2ccc(I)c(Br)c2)[C@H]1Br 1904327819 AZCGSLQYDFXMPB-DVYJOKAKSA-N 457.975 5.406 50 10 JKGE CC[C@@H](Cl)CN(Cc1ccccc1)C(=O)c1csc(Br)c1Br 1915097198 RMSRXDWASQPMHE-GFCCVEGCSA-N 465.638 5.933 50 10 JKGE ClC[C@@H](C1CC1)N(Cc1ccccc1)Cc1ccc(Br)cc1Br 1915164161 GQBHDIWBEBRBJF-IBGZPJMESA-N 457.637 6.231 50 10 JKGE Cc1c(Br)sc([C@H](Br)[C@@H]2CC[C@@H]3CCCC[C@@H]3C2)c1Br 1922882215 GOCAKYIHCYUXOX-FMCLSXCISA-N 485.123 7.624 50 10 JKGE CC1(COC2(CI)CCN(C(=O)OC(C)(C)C)CC2)CCCCC1 1945635891 DDTJMLFDMLCEQL-UHFFFAOYSA-N 451.389 5.178 50 10 JKGE Cl[C@H](c1cc(Br)cs1)c1cc(Br)sc1Br 1961677059 HOSSZUJSYZHWIS-QMMMGPOBSA-N 451.430 6.425 50 10 JKGE FC(F)([C@H]1CCOC1)[C@H](Br)c1cc(Br)sc1Br 2012977837 QSOJIZJCOMCYPC-YLWLKBPMSA-N 454.956 5.381 50 10 JKGE Cc1sc([C@H](Cl)c2cccc(Br)c2Br)c(C)c1Br 2031481647 JNDIKDKLPKPNAU-GFCCVEGCSA-N 473.455 6.981 50 10 JKGE Cc1c(Br)sc([C@H](Br)C23CCC(F)(CC2)C3)c1Br 2039749289 RLJYDWMJCDZVSA-PKSQDBQZSA-N 461.032 6.690 50 10 JKGE Cc1sc(Br)c([C@H](Br)c2cc(Cl)ccc2Br)c1C 2082883825 ICXVMRDEBBYBTQ-GFCCVEGCSA-N 473.455 7.028 50 10 JKGE Brc1ccc(I)c([C@@H](Br)c2ncn3ccsc23)c1 2083987297 RVKFUGDQAABESO-SNVBAGLBSA-N 497.981 5.247 50 10 JKGE COc1ccc([C@H](Br)c2cccc(Br)c2Br)c(Cl)c1 2092329577 YAWJXQCESHXIDM-ZDUSSCGKSA-N 469.398 6.358 50 10 JKGE Fc1ccc([C@@H](Br)CCc2c(Br)cccc2Br)cc1 2113382872 XUFLNRAILPEPJZ-ZDUSSCGKSA-N 450.971 6.420 50 10 JKGE Cc1c(Br)ccc([C@H](Cl)c2ccc(Br)c(Cl)c2)c1Br 2138860280 DOOJTDCDFFTWPN-CQSZACIVSA-N 487.844 7.264 50 10 JKGE COc1ccc(Cl)cc1[C@H](Br)c1ccc(I)c(C)c1 2142140764 MWNZJKXLEZTSII-OAHLLOKOSA-N 451.529 5.746 50 10 JKGE COc1cc(Br)c(C)cc1[C@@H](Cl)c1cccc(F)c1I 2145953898 IYWTUKGSDAGZEZ-AWEZNQCLSA-N 469.519 5.838 50 10 JKGE Cc1c([C@@H](Br)c2scc(C(F)(F)F)c2Br)nn(C)c1Br 2168216485 UUPYKQLAFAROHZ-SSDOTTSWSA-N 496.972 5.818 50 10 JKGE CN(C(=O)c1cc(Br)cc(Br)c1)[C@H]1CCCCC[C@H]1Br 2172547517 OFVXEINERXTFSV-KGLIPLIRSA-N 468.027 5.380 50 10 JKGE ClCc1nc2cc(Cl)c(Br)cc2n1C[C@@H]1COCCN1Cc1ccccc1 2194647447 BBYXIJITRBQFEE-OAHLLOKOSA-N 469.210 5.092 50 10 JKGE FC1(F)C2(CCC2)C12CC([C@H](Br)c1cc(Br)sc1Br)C2 2195136105 ONCSRNZOUGLUCN-JRIBOLAGSA-N 491.033 6.925 50 10 JKGE Cc1cc(Br)c(C)c([C@H](Cl)c2cc(Br)ccc2F)c1Br 2201074560 AKTKQPKYOWRAJE-OAHLLOKOSA-N 485.416 7.058 50 10 JKGE COc1c(Cl)cc(Br)cc1[C@@H](Cl)c1ccc(Cl)cc1Br 2202995707 CEPYTESONONBLH-ZDUSSCGKSA-N 459.392 6.855 50 10 JKGE Fc1cc(Br)cc(Oc2c(Cl)cc(Br)cc2Cl)c1CCl 2203006457 FXDGPYIYIIYVPC-UHFFFAOYSA-N 463.355 7.189 50 10 JKGE CN(CCN(CCCCCI)Cc1ccccc1)Cc1ccccc1 2208959322 NLRGULIWUZQFLQ-UHFFFAOYSA-N 450.408 5.226 50 10 JKGE Brc1sc([C@H]2CCCCC[C@H]2Br)c(Br)c1Br 2212188955 GPFULUWGKCOSSG-NKWVEPMBSA-N 495.900 6.847 50 10 JKGE Cc1ccc([C@@H](Cl)c2c(Cl)sc(Br)c2Cl)cc1I 2217864878 QSMOWRWLSOSFLF-SECBINFHSA-N 496.422 7.059 50 10 JKGE Cc1ccc(I)c([C@@H](Cl)c2sc(Br)c(C)c2C)c1 2224056457 XQMYWWFSEOHKCF-GFCCVEGCSA-N 455.586 6.369 50 10 JKGE Cc1cc(Br)c([C@@H](Br)c2cc(Br)n(C)n2)c(C)c1Cl 2224306925 IWROOKSFKPGYSE-LBPRGKRZSA-N 471.418 5.700 50 10 JKGE Cc1cc(Br)c([C@@H](Cl)c2scc(C(F)(F)F)c2Br)s1 2229326119 RLMWYTZPWGJORE-MRVPVSSYSA-N 454.558 6.990 50 10 JKGE Clc1cc(Cl)cc(C[C@@H](Br)c2c(Br)cccc2Br)c1 2232134419 VKHUREXVYPTAKC-CYBMUJFWSA-N 487.844 7.197 50 10 JKGE C[C@H]1C[C@H]([C@H](Br)c2c(Br)cc(Cl)c(Cl)c2Cl)C[C@@H](C)O1 2232521901 VXPMRKBYPAYMGI-MEUQOTJWSA-N 465.440 7.049 50 10 JKGE Cc1ccc([C@@H](Cl)c2c(Br)cc(F)c(F)c2F)cc1I 2232833681 ONXZQFKIUHQHQF-GFCCVEGCSA-N 475.473 6.108 50 10 JKGE Fc1cc(Br)c(Br)cc1[C@@H](Br)c1ccc2c(c1)COC2 2233974331 FAPLCOMTRBFKGB-HNNXBMFYSA-N 464.954 5.865 50 10 JKGE CC1(C)[C@H]2CC[C@@H](C2)[C@@H]1[C@H](Br)c1cc(Br)c(Br)cc1F 2233978196 YYOVHJJPINVTHE-PVFTVIPPSA-N 469.030 6.859 50 10 JKGE CC(C)(C)OC(=O)N[C@H](CBr)[C@@H]1C[C@H]2CCCC[C@H]2N(C(=O)OC(C)(C)C)C1 2241259852 JAUQYYPTQMZESR-QBPKDAKJSA-N 461.441 5.090 50 10 JKGE C[C@H](Br)CN(Cc1ccccc1)C(=O)c1cc(F)c(Br)cc1Cl 2243478241 VVVZAOHMEVFQKA-NSHDSACASA-N 463.572 5.667 50 10 JKGE Cc1cc(F)c(Br)cc1C(=O)N(Cc1ccccc1)[C@@H](C)CCBr 2249337329 MWPVTAPVHUUWTE-AWEZNQCLSA-N 457.181 5.713 50 10 JKGE Fc1cc(Br)c(F)c(Br)c1[C@@H](Br)C1CCC(F)CC1 2272747022 FHICWEREUOLHQG-OGIFLDNPSA-N 464.945 6.454 50 10 JKGE CC1(C)C[C@H]1CC[C@@H](Br)c1c(F)cc(Br)c(F)c1Br 2272855266 LEVAPGFGOQDQOG-HTQZYQBOSA-N 460.982 6.752 50 10 JKGE Cc1cc([C@H](Br)c2cc(F)c(Br)cc2Cl)c(C)cc1Br 2282898752 ISQWSXPQJAMGNU-HNNXBMFYSA-N 485.416 7.105 50 10 JKGE Brc1cc(Br)cc(C[C@@H](Br)c2ccc(C3CC3)cc2)c1 2295343686 ZMPSHZYREVOURA-QGZVFWFLSA-N 459.019 6.768 50 10 JKGE COc1cc(OC)c([C@@H](Br)c2cccc(OCc3ccccc3)c2)cc1Br 2295436677 FOCSLZAVLZXBRC-QFIPXVFZSA-N 492.207 6.530 50 10 JKGE CCOC(=O)Nc1sc(C(C#N)=Cc2ccc(OC)c(OC)c2)nc1-c1ccc(Cl)cc1 2297497771 GBXWTIGQDURRIU-UHFFFAOYSA-N 469.950 6.113 50 10 JKGE C[C@@H]1C[C@@H]1[C@@H]1C[C@H]1[C@@H](Br)c1ccc(OCc2ccccc2)cc1Br 2299503208 CYAQWKCMTGEPTJ-KQVZPOMWSA-N 450.214 6.756 50 10 JKGE Brc1cc(OCc2ccccc2)ccc1[C@H](Br)[C@@]12CCCC[C@H]1CC2 2314449046 MTBCPDKGNLTXFY-BULFRSBZSA-N 464.241 7.435 50 10 JKGE CCCCOc1cccc(-c2nn(-c3ccccc3)cc2C=C(C#N)S(=O)(=O)c2ccc(C)cc2)c1 2314475996 HBWUVVNGBMVHRC-UHFFFAOYSA-N 497.620 6.365 50 10 JKGE CCOC(=O)c1c(NC(=O)C(C#N)=Cc2ccc(-c3ccc(Cl)cc3)o2)sc2c1CC[C@H](C)C2 2314571971 PPTRUFMIIOOJJE-HNNXBMFYSA-N 495.000 6.509 50 10 JKGE N#CC(=CNc1ccc(Cl)c(C(F)(F)F)c1)C(=O)NC1CCCCCCCCCCC1 2325474504 LABLVVFMFKCGHI-UHFFFAOYSA-N 455.952 6.968 50 10 JKGE COC(=O)c1c(NC(=O)C(C#N)=Cc2ccc(OC)cc2)sc2c1CC[C@@H](C(C)(C)C)C2 2329622307 KJJWLSWZHFCQLS-QGZVFWFLSA-N 452.576 5.240 50 10 JKGE C=CCOc1ccccc1OCC(O)=C(C#N)c1nc(-c2cccc(Br)c2)cs1 2331278697 CODDXOTWIRIZMR-UHFFFAOYSA-N 469.360 6.009 50 10 JKGE COc1ccc(OC)c(-c2csc(C(C#N)=C(O)[C@H]3CC(=O)N([C@@H](C)c4ccccc4)C3)n2)c1 2331325078 GTZLGSHUZNMJBD-WMZOPIPTSA-N 475.570 5.230 50 10 JKGE COc1cc(OC)c(-c2csc(C(C#N)=C(O)c3c(F)cccc3Cl)n2)cc1Cl 2331381048 BGCVHOMKVFKIEB-UHFFFAOYSA-N 451.306 6.223 50 10 JKGE CCOc1cc(C=C(C#N)c2nc(-c3cc(C)ccc3OC)cs2)ccc1OCc1ccc(C)cc1 2331448944 UENMABRGOBEQNO-UHFFFAOYSA-N 496.632 7.477 50 10 JKGE CCCCCOc1ccc(C=C(C#N)c2nc(-c3cc(Cl)cc(C)c3OC)cs2)cc1OCC 2331474512 NMZHMHYDOHBFKQ-UHFFFAOYSA-N 497.060 7.812 50 10 JKGE COc1cc(C=C(C#N)c2nc(-c3cc(Cl)c(OC)c(Cl)c3)cs2)ccc1OC(C)C 2331480411 OYLHWOKKTAGSTR-UHFFFAOYSA-N 475.397 6.985 50 10 JKGE Cc1cc(Br)c(C)c([C@@H](Br)[C@H]2CCC[C@@H]3C[C@H]23)c1Br 2332925207 BEDLUSKKYBAFCB-YRORDHRNSA-N 451.040 6.701 50 10 JKGE FC1(F)CCC[C@@H]2[C@@H]([C@H](Br)c3ccc(Br)cc3Br)[C@@H]21 2333145759 BVRPMCZANAXTNH-OJAKKHQRSA-N 458.966 6.329 50 10 JKGE CCCc1ccc([C@@H](Br)c2cc(Br)ccc2OCc2ccccc2)cc1 2336044520 OTIYQTXUXCPIGW-HSZRJFAPSA-N 474.236 7.465 50 10 JKGE Fc1c(Br)cc(Cl)c([C@H](Br)[C@@H]2CC[C@H]3C[C@@H]3C2)c1Br 2337081285 UQKWYWGIPDLMST-HIHLCYOISA-N 475.421 6.876 50 10 JKGE Fc1c(Br)cc(Cl)c([C@H](Br)[C@@H]2C[C@H]3CCC[C@H]32)c1Br 2337102070 BMFHKEYSFQIGRK-BMYQGPEFSA-N 475.421 6.876 50 10 JKGE CC1(C)CC([C@H](Br)c2sc(Cl)cc2I)CC(C)(C)C1 2338767095 CLGQHMMCWJMGAV-LBPRGKRZSA-N 475.661 7.295 50 10 JKGE Fc1cc(Cl)c([C@H](Br)c2c(Cl)sc(Br)c2Cl)c(Cl)c1 2340796993 BRNXGHLBUNQNLS-QMMMGPOBSA-N 487.830 7.748 50 10 JKGE Cc1scc(CN(C)c2ccc(CBr)c(Br)c2)c1Br 2343638723 HYCRUBDGLJFTEH-UHFFFAOYSA-N 468.052 6.113 50 10 JKGE Clc1cccc([C@H](Cl)CCc2ccc(I)c(Br)c2)c1 2349854398 PDDFUOKLLGVLKO-CQSZACIVSA-N 469.975 6.620 50 10 JKGE ClCC[C@@H]1CCCN(Cc2ccc(I)c(Br)c2)CC1 2349860022 YZIRISQFKSULEV-LBPRGKRZSA-N 456.593 5.285 50 10 JKGE CC(C)(C[C@@H](Br)c1c(F)cc(Cl)c(Br)c1Cl)C(F)(F)F 2360480616 CCYYMGMCGPPRSW-RXMQYKEDSA-N 460.918 7.310 50 10 JKGE O=C(c1cc(Br)c(Br)s1)N1CC[C@@H](Br)C[C@H]1C(F)(F)F 2361452210 IMXGJANHYYDCCS-XRGYYRRGSA-N 499.972 5.204 50 10 JKGE CC[C@H]1CC[C@H]([C@H](Br)c2c(Cl)cc(Br)c(F)c2Br)CC1 2362229024 HHXMAGBKSGOMTG-RVBZMBCESA-N 491.464 7.657 50 10 JKGE COc1cc(Br)c(C)cc1[C@@H](Cl)c1c(Br)c(Br)nn1C 2364064296 QMCUWVMFSRVRCN-LLVKDONJSA-N 487.417 5.353 50 10 JKGE COc1c(Br)cc(C)c([C@@H](Br)[C@@]2(C)CCCOC2)c1Br 2365193457 IHBVZELHNMHNDG-CABCVRRESA-N 471.027 5.781 50 10 JKGE C[C@H]1COc2ccc([C@@H](Br)c3ccc(Cl)cc3I)cc21 2365598614 RDHWWSMHSXPGNK-XXFAHNHDSA-N 463.540 5.925 50 10 JKGE CCOc1ccc([C@H]2CC(c3ccccc3)=NN2c2ccc(C=NNC(=O)c3ccncc3)cc2)cc1 8424562 VJLGECCEYYZFGA-GDLZYMKVSA-N 489.579 5.600 50 10 JKGE Cc1ccc(-c2n[nH]c3c2[C@@H](c2ccc(OC(=O)c4ccccc4Cl)cc2)C(C#N)=C(N)O3)cc1 10013830 FZFJTUVTHAHHAO-QFIPXVFZSA-N 482.927 5.476 50 10 JKGE O=C(N/N=C/c1c(O)ccc2ccccc12)c1cccc(NC(=O)c2ccccc2Br)c1 20533947 KGKXQBJJGYLISZ-JFLMPSFJSA-N 488.341 5.324 50 10 JKGE COC[C@H](C)n1c(C)cc(/C=C(C#N)/C(O)=N/c2nc(-c3ccc(OC)c(OC)c3)cs2)c1C 24691126 YATSEUALDDAQLA-UWSDUSPXSA-N 480.590 5.648 50 10 JKGE CCOc1ccc(/C=C(/C#N)C(=O)Nc2ncc(Cc3cccc(C(F)(F)F)c3)s2)cc1 33331370 FCPGJZSWYGVPKF-YVLHZVERSA-N 457.477 5.697 50 10 JKGE CCOC(=O)c1c(NC(=O)/C(C#N)=C\c2ccc(-c3ccc([N+](=O)[O-])cc3)o2)sc(C)c1C 35517961 DVMXFULBWVDTPC-WJDWOHSUSA-N 465.487 5.256 50 10 JKGE N#CC1=C(N)Oc2cc(OC(=O)c3ccco3)ccc2[C@H]1c1ccc(OCc2ccccc2)cc1 38650927 DODAURJCHNFZQM-AREMUKBSSA-N 464.477 5.296 50 10 JKGE CCCCOc1cccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4ccccc4C)ccc32)c1 38685040 CYUPBJAGUMFYGM-SANMLTNESA-N 454.526 5.611 50 10 JKGE CCCCOc1ccc(C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@@H]3c2cccc([N+](=O)[O-])c2)cc1 40527368 ULSWMFPZQJKCJB-RUZDIDTESA-N 485.496 5.211 50 10 JKGE CC(C)(C)CC(C)(C)c1ccc(OCC(=O)NNC(=O)c2ccccc2CCc2ccccc2)cc1 40844792 LZFMCNDNRWIOEC-UHFFFAOYSA-N 486.656 6.026 50 10 JKGE Cc1cccc(-c2nn(-c3ccccc3)cc2/C=N/NC(=O)C(=O)Nc2cccc3ccccc23)c1 48571875 QPGGCQZIHGRYLH-UXHLAJHPSA-N 473.536 5.090 50 10 JKGE O=C(N/N=C/c1ccc(Cl)cc1Cl)c1ccc([C@@H]2Nc3ccccc3[C@H]3C=CC[C@H]32)cc1 59471614 GIMMOLPHFIGUNM-KHUBSUCVSA-N 462.380 6.584 50 10 JKGE N#C/C(=C/c1ccccc1OCc1cccc(C(F)(F)F)c1)C(=O)NCCc1ccccc1 96438696 SCYDYXPXODRKJT-JWGURIENSA-N 450.460 5.550 50 10 JKGE Fc1ccc(Br)cc1-n1c(CCl)nc2cc(I)ccc21 97354144 KPMCLQXDNTXHLN-UHFFFAOYSA-N 465.491 5.271 50 10 JKGE CCCCCCCCCCCCCC(=O)NNC(=O)COc1ccc(C(=O)OCCC)cc1 100443122 SOGGLCNTCWFKBW-UHFFFAOYSA-N 462.631 5.481 50 10 JKGE N#C/C(=C/Nc1ccccc1OC(F)(F)[C@@H](F)Cl)c1nc(-c2ccc3c(c2)OCO3)cs1 102419205 FPAMCLVBGZTZAX-CXOXVUTBSA-N 479.867 6.021 50 10 JKGE Fc1ccc([C@@H](Br)c2ccc(Br)cc2Cl)cc1Br 126618749 ZNHBVAAEEHGUSM-CYBMUJFWSA-N 457.362 6.488 50 10 JKGE CS(=O)(=O)c1cccc([C@@H](Br)c2cc(Br)c(Br)s2)c1 128210444 RVXJQNZNYLJQSZ-LLVKDONJSA-N 489.048 5.161 50 10 JKGE Cc1cc(Br)c([C@@H](Br)c2ccc(C(F)(F)F)cc2)cc1Br 128729613 CCIFDZVZVVIGSL-AWEZNQCLSA-N 486.951 7.023 50 10 JKGE Br[C@@H](c1csc(I)c1)c1ccc2c3c(cccc13)CC2 158940484 PPMXSOWNFMMPMQ-KRWDZBQOSA-N 455.158 6.089 50 10 JKGE CCCC[C@H](CC)CO[C@@](C)(CI)c1ccccc1Br 162154744 OLDVEWAHNGUPDD-YOEHRIQHSA-N 453.202 6.332 50 10 JKGE Brc1cc([C@@H](Br)C2C3CC4CC(C3)CC2C4)sc1Br 168436505 DNUWNIZJKRWYGD-HUMXCFBVSA-N 469.080 6.781 50 10 JKGE Cc1cc(Br)ccc1[C@@H](Br)c1cc(Br)c(Cl)s1 227844636 IOLUDWUDIMBXIS-LLVKDONJSA-N 459.428 6.719 50 10 JKGE Cc1ccc(C(=O)Oc2ccc(C=NNC(=O)C(Oc3ccccc3)Oc3ccccc3)cc2)cc1 254466150 BGFBAPFXHFRFLC-UHFFFAOYSA-N 480.520 5.148 50 10 JKGE CCCC(=NNC(=O)c1cc(-c2ccc(OC)cc2OC)nc2ccccc12)c1ccc(Cl)s1 254733972 JLCHUEYCCMWZGQ-UHFFFAOYSA-N 494.016 6.568 50 10 JKGE CCOC(=O)c1ccc2ccccc2c1OC(=O)[C@@]12CC[C@@](C)(C(=O)[C@H]1Br)C2(C)C 256019981 PTGPLLSBSKFNQZ-PUZWTLIVSA-N 473.363 5.081 50 10 JKGE C[C@@H]1[C@H](n2c(CCCl)nc3cc(Br)c(F)cc32)CCN1Cc1ccccc1 383537538 CMFFUOFIMYKHNG-AUUYWEPGSA-N 450.783 5.555 50 10 JKGE Fc1cc(Br)c([C@@H](Br)c2sccc2Br)c(F)c1F 398510540 HYAVPEIXYSWAPS-MRVPVSSYSA-N 464.926 6.175 50 10 JKGE Cc1cc(Br)c([C@H](Br)[C@H](C)CC(F)(F)F)cc1Br 402510685 IPZCFGPULXYPFK-RDDDGLTNSA-N 452.934 6.545 50 10 JKGE Cc1ccc(OCc2cc(Cl)ccc2I)c(CBr)c1 405284169 DGBRSPFSZYIWHG-UHFFFAOYSA-N 451.529 5.727 50 10 JKGE C=C1CC[C@H](O[Si](C)(C)C(C)(C)C)C/C1=C/C=C1/CCC[C@]2(C)[C@@H]1CC[C@H]2[C@H](C)CCCC(C)C 504233578 DWIUSINKAVTSCC-ASSIRZOFSA-N 498.912 10.649 50 10 JKGE Cn1cc([C@H](Br)c2cc(Cl)c(Br)cc2F)nc1Br 698431976 DZENNCXOUMQBNC-SNVBAGLBSA-N 461.354 5.222 50 10 JKGE CCn1cc([C@H](Br)c2cc(Cl)c(Br)s2)nc1Br 698498928 WLDSZVOSKNJYDQ-QMMMGPOBSA-N 463.420 5.627 50 10 JKGE Clc1cc([C@H](Br)c2ccsc2Br)c(Cl)c(Cl)c1Cl 698586103 BXNWPWCNTDIYNP-SSDOTTSWSA-N 469.840 7.609 50 10 JKGE CCc1ccc([C@@H](Br)c2scc(Br)c2Br)cc1CC 705445982 BFLHPIGUWAOWOB-CYBMUJFWSA-N 467.064 6.882 50 10 JKGE Fc1ccc(C[C@@H](Br)c2scc(Br)c2Br)cc1F 705494242 XIDYBTMKGYWBPO-SSDOTTSWSA-N 460.963 6.230 50 10 JKGE CC(C)[C@@H]1CN(c2ccc(Br)cc2CBr)CCN1Cc1ccccc1 707550260 GHTQFTMVAORTHX-NRFANRHFSA-N 466.261 5.691 50 10 JKGE C[C@H](COCc1ccccc1)CC(CBr)(CBr)Cc1ccccc1 719446314 ZHMBBFZXTQFCHM-SFHVURJKSA-N 454.246 6.248 50 10 JKGE C[C@@H](Cl)C[C@H]1CCCCN1C(=O)c1ccc(I)c(Br)c1 721571748 JALBHDLNESJCOC-ZYHUDNBSSA-N 470.576 5.066 50 10 JKGE Cc1sc([C@@H](Br)c2cccc(F)c2Br)c(C)c1Br 724928433 MXESXYRHYYVCBY-LBPRGKRZSA-N 457.000 6.513 50 10 JKGE COc1ccccc1/C(C#N)=C/c1ccc(OC(=O)/C=C/c2ccc(OCc3ccccc3)cc2)cc1 1615099345 IHRISZNIWWCUND-PEVRBXMOSA-N 487.555 6.957 50 10 JKGE COc1ccc(Cl)cc1NC(=O)c1oc2c(c1C)C(=NNC(=O)c1ccccc1C)CCC2 1772743603 GDJPUTPOKBJPNK-UHFFFAOYSA-N 465.937 5.281 50 10 JKGE COc1cc(C=NNC(=O)[C@@H](C)Oc2ccc(-c3ccccc3)cc2)ccc1OCCc1ccccc1 1772755983 WVDMPGBLFKNTMI-HSZRJFAPSA-N 494.591 5.901 50 10 JKGE COc1ccc(-c2nn(Cc3ccccc3)c3c2[C@@H](c2cccc(Cl)c2)C(C#N)=C(N)O3)cc1 1865683353 JQNQFDHKKGTSKR-QHCPKHFHSA-N 468.944 5.479 50 10 JKGE N#CC1=C(N)Oc2c(c(C(F)(F)F)nn2-c2ccc(Cl)c(Cl)c2)[C@H]1c1ccccc1F 1865684310 WHKBZVJGEHPSJB-HNNXBMFYSA-N 469.225 5.555 50 10 JKGE CCCOc1cccc([C@H]2C(C#N)=C(N)Oc3c2c(-c2ccccc2)nn3-c2ccc(Cl)cc2)c1 1865693419 JQMSKNPNIFUDAF-DEOSSOPVSA-N 482.971 6.200 50 10 JKGE CCCc1nn(-c2ccc(Cl)cc2)c2c1[C@@H](c1ccc(OCC)c(OC)c1)C(C#N)=C(N)O2 1865696328 ZFBCBHOOSSOLTN-QFIPXVFZSA-N 464.953 5.104 50 10 JKGE COc1ccc(-c2nn(-c3ccccc3)c3c2[C@@H](c2cn(C)c4ccccc24)C(C#N)=C(N)O3)cc1 1865699180 NDFQDIDFZWFJJM-RUZDIDTESA-N 473.536 5.258 50 10 JKGE COc1ccc(-c2nn(Cc3ccc(F)cc3)c3c2[C@@H](c2ccc(F)cc2F)C(C#N)=C(N)O3)cc1 1865701837 GOGPDDZDGZJEJA-QHCPKHFHSA-N 488.469 5.242 50 10 JKGE COc1ccc(-c2nn(Cc3ccccc3F)c3c2[C@H](c2ccc(F)cc2F)C(C#N)=C(N)O3)cc1 1865702592 XNXATSOLMSDYFL-HSZRJFAPSA-N 488.469 5.242 50 10 JKGE CCCc1nn(Cc2ccc(Cl)cc2)c2c1[C@@H](c1ccccc1OC(C)C)C(C#N)=C(N)O2 1865704659 BDKIZBWUTBZBCH-QHCPKHFHSA-N 462.981 5.543 50 10 JKGE CSCC[C@H](NC(=O)CCCc1cccc(Cl)c1)C(=O)Nc1ccc(SC#N)cc1 1867126181 PAPXEVSAMBNOJF-FQEVSTJZSA-N 462.040 5.112 50 10 JKGE COc1cc(OC)c(OC)cc1/C=C1\Oc2cc(OCc3cccc(CCl)c3)cc(C)c2C1=O 1871437246 OCHMXFLTBALCJW-GATIEOLUSA-N 480.944 5.955 50 10 JKGE COc1cccc(/C=C(\C#N)c2nc3ccccc3[nH]2)c1OCc1c(Cl)cccc1Cl 1872726761 ICNTZYYUOVDWIC-FOWTUZBSSA-N 450.325 6.521 50 10 JKGE CC[C@@H](C)N1C(=O)c2ccc(/C(O)=C(\C#N)c3nc(-c4ccc(C(C)(C)C)cc4)cs3)cc2C1=O 1872751076 SRUWPYWBPUBAKA-RNKPHZFSSA-N 485.609 6.452 50 10 JKGE COc1ccc(-c2csc(/C(C#N)=C(\O)CCCOc3ccc(Cl)cc3)n2)c(OC)c1 1872755325 ILJSMMDOUQZVNA-VZCXRCSSSA-N 456.951 6.133 50 10 JKGE Cc1cccc(C)c1OCCC/C(O)=C(\C#N)c1nc(-c2cc(Cl)ccc2Cl)cs1 1872758838 SOQTUKUHINBFIL-UZYVYHOESA-N 459.398 7.386 50 10 JKGE CCOc1ccc(OCC)c(-c2csc(/C(C#N)=C/c3cc(OC)c(OC)c(OC)c3)n2)c1 1872792470 ARIUJZNWRFSFKO-LICLKQGHSA-N 466.559 5.697 50 10 JKGE CN(Cc1ccc(Cl)c(I)c1)C[C@@H](Cl)COCc1ccccc1 1900396743 JQARAVVBXAZBKK-MRXNPFEDSA-N 464.174 5.201 50 10 JKGE CC[C@@H](Br)CN(Cc1ccccc1)S(=O)(=O)c1ccc(Cl)cc1C(F)(F)F 1915088699 NYOHVAYGRKBOLG-CQSZACIVSA-N 484.765 5.723 50 10 JKGE CC(C)[C@@H](CCl)N(Cc1ccccc1)C(=O)c1ccc(Br)c(C(F)(F)F)c1 1915304508 XJEKKIOFZGJCKT-GOSISDBHSA-N 462.737 6.374 50 10 JKGE CCCCCCCCC[C@H](Br)c1sc(Br)c(C)c1Br 1922883787 PSBNCUABUVPWLO-LBPRGKRZSA-N 475.128 8.158 50 10 JKGE Cl[C@H](c1c(Br)sc(Br)c1Br)[C@@H]1C[C@H]2CC[C@H]1C2 1924583408 JMQHOTGRXQDVRH-DOACCVQLSA-N 463.460 6.752 50 10 JKGE CC[C@H](C[C@@H](Cl)c1c(Br)sc(Br)c1Br)C(C)(C)C 1924614306 XMNWTYZPKYTWBP-HTQZYQBOSA-N 481.519 7.778 50 10 JKGE Clc1cc([C@@H](Br)c2cscc2OCc2ccccc2)sc1Br 1934837918 DMFNSDONQULTDW-HNNXBMFYSA-N 478.658 7.289 50 10 JKGE Cc1sc(Br)c(C(=O)N(Cc2ccccc2)C2(CBr)CCC2)c1C 1951018883 KKABCIGCRFDZBH-UHFFFAOYSA-N 471.258 6.087 50 10 JKGE CC[C@H](Br)CN(Cc1ccccc1)C(=O)c1c(Cl)cccc1Br 1980599236 DSQXZSBIXRKANT-AWEZNQCLSA-N 459.609 5.918 50 10 JKGE BrCCc1cc(-c2ccc(OCc3ccccc3)c(OCc3ccccc3)c2)no1 1989167068 UKJSTVIDBPYEOF-UHFFFAOYSA-N 464.359 6.437 50 10 JKGE Cc1nc(C[C@@H](Br)c2csc(Br)c2Br)sc1C 2025988630 FKZJJODABCVWTQ-MRVPVSSYSA-N 460.054 6.025 50 10 JKGE Cc1cc(Br)c(F)c([C@@H](Br)c2cc(Cl)c(Br)s2)c1 2028924580 ROHPCIFCFOOPBI-SNVBAGLBSA-N 477.418 6.858 50 10 JKGE Fc1cc(Cl)c([C@@H](Br)c2csc(Br)c2Br)cc1F 2032959046 SGJPVMJTNLFADU-SECBINFHSA-N 481.381 6.689 50 10 JKGE Cc1cc(Cl)c([C@@H](Br)c2csc(Br)c2Br)cc1C 2032959216 WZVVNJBBEBXSBQ-LLVKDONJSA-N 473.455 7.028 50 10 JKGE CC12CC([C@@H](Cl)c3c(Br)sc(Br)c3Br)(CCO1)C2 2046403185 JWMFBMMSDCQNTQ-RKWZHAFESA-N 479.459 6.275 50 10 JKGE Clc1c(Br)sc(Br)c1[C@@H](Br)[C@H]1CCCCC12CC2 2053372871 ZEGUXLICOLVVNG-APPZFPTMSA-N 477.487 7.333 50 10 JKGE Cc1cc(Br)c(C(=O)NC[C@H]2C[C@H](Br)C2)cc1NC(=O)OC(C)(C)C 2076192368 ZCKDWPRZHUPEJD-HAQNSBGRSA-N 476.209 5.008 50 10 JKGE Cc1cc(Cl)c([C@@H](Br)c2csc(Br)c2Br)cc1Cl 2081576823 IEIMLYMJQSQWPY-SNVBAGLBSA-N 493.873 7.373 50 10 JKGE Fc1cc(Br)c([C@@H](Br)c2cc(Br)cs2)c(F)c1Cl 2081842400 ATEUDSVWUPAXMZ-VIFPVBQESA-N 481.381 6.689 50 10 JKGE Cc1cc(Cl)c(Br)cc1[C@@H](Br)c1cccc(Br)c1 2082377212 OVBHVNSSLRZDMK-AWEZNQCLSA-N 453.399 6.658 50 10 JKGE Fc1cccc(CBr)c1OCc1ccc(Br)cc1Br 2092266730 MWGAEQNDOYANNI-UHFFFAOYSA-N 452.943 5.825 50 10 JKGE CCc1nn(-c2ccc(CCl)c(Br)c2)c(CC)c1I 2093919085 VTLWDEPMDOJYPT-UHFFFAOYSA-N 453.549 5.103 50 10 JKGE CC(C)(C)C[C@@H](Br)CNC(=O)c1c(Br)cccc1Br 2094088629 NDHJSDMTWJQRNN-SECBINFHSA-N 456.016 5.141 50 10 JKGE O=C(NC[C@@H]1CCCC[C@H](Br)C1)c1cc(Br)sc1Br 2107481242 PASDIWWWGRVBIV-BDAKNGLRSA-N 474.056 5.347 50 10 JKGE CCc1nc([C@H](Br)c2cc(Br)ccc2OC)c(Br)s1 2113183030 NWRUVTXZFUHWOR-LLVKDONJSA-N 470.024 5.723 50 10 JKGE Brc1ccc(Br)c(CN2C[C@H]3C[C@@H](Br)CC[C@H]3C2)c1 2118520466 VHLJFRZYDOTQDC-LOWVWBTDSA-N 452.028 5.207 50 10 JKGE F[C@H]1[C@H](Br)C[C@H]2CC[C@H]1N2Cc1c(Br)cccc1Br 2134122157 JMEQJTANSGFRSG-OJICRYGUSA-N 455.991 5.050 50 10 JKGE ClCCCCCc1cc(-c2ccc(OCc3ccccc3)c(OCc3ccccc3)c2)no1 2134722593 IDBZLQNAMPPUFB-UHFFFAOYSA-N 461.989 7.451 50 10 JKGE Cc1cc(Cl)c(Br)cc1[C@@H](Br)c1ccc(Br)cc1Cl 2137641978 GRBCCTFOYGJHBQ-AWEZNQCLSA-N 487.844 7.311 50 10 JKGE COc1cc(Cl)c([C@H](Br)c2cc(Br)oc2C)cc1Br 2137648446 NMQBFXJJHUWKLB-CYBMUJFWSA-N 473.386 6.259 50 10 JKGE FC1(F)C2(CCC2)[C@]1(CBr)Cc1ccc(I)c(Cl)c1 2142940510 OBULBZMHCZZKGF-CYBMUJFWSA-N 461.515 5.688 50 10 JKGE Fc1cc(Br)cc(Oc2c(CBr)ccc(Br)c2Cl)c1F 2154376657 WYNAHKZOBMWRFB-UHFFFAOYSA-N 491.351 6.830 50 10 JKGE C[C@@H](Cl)c1nc2cc(Br)c(Cl)cc2n1C(C)(C)CN(C)Cc1ccccc1 2160078747 LVEIXESUDQAXSF-CQSZACIVSA-N 469.254 6.619 50 10 JKGE CCC(CC)(CBr)CN(C1CC1)[C@@H](CCNC(=O)OC(C)(C)C)C(F)(F)F 2163062235 KMDGLPCWLCBJHM-HNNXBMFYSA-N 459.391 5.498 50 10 JKGE Clc1sc(Br)c(Cl)c1[C@H](Br)[C@@H]1C[C@H]2CCCCCC[C@@H]21 2166122091 GPVTVZQAZXBTNB-DTHBNOIPSA-N 461.090 7.860 50 10 JKGE Fc1ccc(I)cc1[C@@H](Cl)c1cc(Br)c2c(c1)CCO2 2169660340 BKUJZLBCZNSWRK-AWEZNQCLSA-N 467.503 5.456 50 10 JKGE CN(C(=O)c1cc(Br)ccc1I)[C@@H]1CCCCC[C@@H]1Cl 2172548564 VIKFNEXJIJYNEJ-GXTWGEPZSA-N 470.576 5.066 50 10 JKGE C[C@H]1CC[C@H](CC(CBr)(CBr)c2cccc(Br)c2)CC1 2192998146 ALVOLQWAPXXAIC-HDJSIYSDSA-N 467.083 6.693 50 10 JKGE COc1cc2c(cc1Br)nc(CCCl)n2C(C)(C)COCc1ccccc1 2202309508 POFJHIQCSHEKPP-UHFFFAOYSA-N 451.792 5.541 50 10 JKGE COc1ccc([C@@H](Cl)c2cccc(Br)c2Br)c(Cl)c1Cl 2203432824 KORBKQWMVQUINF-LBPRGKRZSA-N 459.392 6.855 50 10 JKGE COc1cc(Cl)ccc1[C@@H](Br)c1ccc(Br)c(C)c1Br 2203681592 AIIMCGOSHJUYKM-OAHLLOKOSA-N 483.425 6.666 50 10 JKGE COc1ccc([C@@H](Br)c2ccc(Br)c(C)c2Br)cc1F 2203686836 OMGRJGBZYNJDCZ-OAHLLOKOSA-N 466.970 6.152 50 10 JKGE CC(C)Cc1ccccc1[C@H](Br)c1ccc(Br)cc1Br 2203687643 RXOCZTLGLYHMQV-KRWDZBQOSA-N 461.035 6.894 50 10 JKGE Cc1c(Br)ccc([C@@H](Br)c2ccc(C(F)(F)F)o2)c1Br 2203690888 GFLJABBKGRQOOO-GFCCVEGCSA-N 476.912 6.616 50 10 JKGE CC1(C)C[C@@H](O[C@](C)(CI)c2ccccc2Br)C1(C)C 2204945608 LGSJWQGGTIVPNL-RHSMWYFYSA-N 451.186 5.941 50 10 JKGE Cc1sc([C@H](Br)c2sc(Br)c(C)c2C)c(Br)c1C 2221836006 LNYJNSJXLOAFCG-SNVBAGLBSA-N 473.093 7.053 50 10 JKGE Cc1cc(Br)c([C@H](Br)c2c(C)nsc2Br)c(C)c1Cl 2224314052 WUUWZJRONUECPF-NSHDSACASA-N 488.470 6.731 50 10 JKGE Fc1cc(Br)c(Br)c2c1CC[C@@H](C(F)(F)F)C[C@H]2Br 2225620313 SZJSBBNDJPKBCS-IYSWYEEDSA-N 468.908 6.302 50 10 JKGE CCN(C[C@@](C)(CI)O[C@H]1CC[C@@H](C(F)(F)F)CC1)C(=O)OC(C)(C)C 2231398340 FTCAWRRAIIBRBD-JKIFEVAISA-N 493.348 5.575 50 10 JKGE Clc1ccc([C@@H](Cl)c2c(Br)cc(Cl)c(Cl)c2Cl)c(Br)c1 2232510226 GIIMCQPAIRFNRD-LLVKDONJSA-N 498.256 8.153 50 10 JKGE FC1([C@H](Br)c2c(Br)cc(Cl)c(Cl)c2Cl)CC2(CCC2)C1 2232511684 QZQPOMCUYPLSNR-GFCCVEGCSA-N 465.415 7.518 50 10 JKGE Cc1cc(Br)c([C@@H](Cl)c2cccc(Br)c2Cl)c(C)c1Cl 2232528386 HOANMHJDEJHTOR-HNNXBMFYSA-N 457.420 7.463 50 10 JKGE COc1ccc(Br)c(CBr)c1OCc1cncc(Br)c1 2236035758 AOVFPSHQISILHC-UHFFFAOYSA-N 465.967 5.089 50 10 JKGE CCC1CCC(CI)(OCCOCCOCCOCc2ccccc2)CC1 2236089050 OKTDCHAOERMNKF-UHFFFAOYSA-N 490.422 5.027 50 10 JKGE O=C(c1csc(Br)c1Br)N1C[C@H]2CCCC[C@]2(CBr)C1 2238793647 FZPMYDAEHBRMAC-OTYXRUKQSA-N 486.067 5.300 50 10 JKGE CCc1nn(C)c([C@H](Br)c2cc(Br)c(Br)cc2F)c1Cl 2240931426 XOOFRBAFDVNAQY-LLVKDONJSA-N 489.408 5.784 50 10 JKGE Cl[C@H](C[C@H]1CCCC12CC2)c1c(Br)sc(Br)c1Br 2255252455 ADUDYWOVOFYMIN-HTQZYQBOSA-N 477.487 7.286 50 10 JKGE Clc1ccc([C@@H](Br)Cc2ccncc2Cl)cc1I 2256334943 DOUKGOBMOHVGIW-JTQLQIEISA-N 456.936 5.672 50 10 JKGE Cc1cc(F)c(Br)cc1[C@H](Cl)c1cc(Br)c(Br)s1 2258106717 QMHOQVHNGUPPGP-NSHDSACASA-N 477.418 6.811 50 10 JKGE COc1ccc([C@H](Br)c2cccc(Br)c2F)cc1I 2269540068 GAUZALBVFSVFLY-ZDUSSCGKSA-N 499.943 5.686 50 10 JKGE COc1ccc([C@@H](Cl)c2ccc(Br)c(Cl)c2)cc1I 2269544561 KKQRVUKVJNZOFZ-AWEZNQCLSA-N 471.947 6.044 50 10 JKGE COc1ccc([C@@H](Br)c2ccc(Br)cc2F)cc1I 2269549856 YQEJQTCIYRJILR-CQSZACIVSA-N 499.943 5.686 50 10 JKGE Brc1cc(Br)cc(C[C@H](Br)[C@@H]2CC[C@H]3C[C@H]3CC2)c1 2277950160 TYQIMOKJLMZART-ZWUHOBOKSA-N 451.040 6.344 50 10 JKGE Cc1ccc(C(C)C)c(OCCOc2ccccc2C=C(C#N)C(=O)Nc2ccccc2C)c1 2295172680 XUFNIAYWXFNILH-UHFFFAOYSA-N 454.570 6.430 50 10 JKGE Brc1cc(Br)cc(C[C@@H](Br)c2csc3c2CCCC3)c1 2295344952 GGPOJVFUEALAHD-OAHLLOKOSA-N 479.075 6.831 50 10 JKGE CCCOc1ccc(-c2nn(-c3ccccc3)cc2C=C(C#N)C(=O)NC2CCCCC2)cc1 2296728669 AVPSXOPDCWHQHO-UHFFFAOYSA-N 454.574 5.684 50 10 JKGE N#CC(=Cc1ccc(OCc2ccccc2)cc1)C(=O)Nc1ccccc1I 2296834444 NWVUUJJFVKTVGL-UHFFFAOYSA-N 480.305 5.416 50 10 JKGE N#CC(=C(Nc1ccccc1F)SCc1ccccc1Cl)S(=O)(=O)c1ccccc1 2297349927 CNEKQSMQRSDLMC-UHFFFAOYSA-N 458.967 5.991 50 10 JKGE COc1cc(C=NNC(=O)c2ccc(C(=O)O)cc2)ccc1OCc1c(Cl)cccc1Cl 2297681187 ZPJFCFQKAPMILY-UHFFFAOYSA-N 473.312 5.043 50 10 JKGE Brc1cc(OCc2ccccc2)ccc1[C@H](Br)[C@@H]1[C@@H]2CCCO[C@@H]21 2299493174 FYAFMWGLUOVBOT-LEAZDLGRSA-N 452.186 5.889 50 10 JKGE Fc1cc([C@@H](Br)c2sc(Cl)cc2I)ccc1Cl 2300953172 GFXNZQZDJYJZIP-SNVBAGLBSA-N 465.940 6.283 50 10 JKGE Cc1ccc([C@H](Cl)c2ccc(OCc3ccccc3)cc2Br)c(Br)c1 2314452569 OMURQVWUALRAHK-NRFANRHFSA-N 480.627 7.427 50 10 JKGE Brc1ccc(OCc2ccccc2)c([C@@H](Br)C2C[C@H]3CC[C@H](C2)C3)c1 2314455563 PREQBRIVMGTITM-HOIFWPIMSA-N 464.241 7.290 50 10 JKGE Fc1ccc([C@H](Br)c2ccc(OCc3ccccc3)cc2Br)cc1Cl 2314499921 IIOZOISXVDIHSY-FQEVSTJZSA-N 484.590 7.305 50 10 JKGE N#CC(=Cc1ccc(OC(=O)c2ccccc2CCc2ccccc2)cc1)C(=O)NCc1ccco1 2314753205 KZRLHIJIKWZLIH-UHFFFAOYSA-N 476.532 5.507 50 10 JKGE CC1(C)C[C@@H](Br)C[C@H](Cc2ccc(I)c(Br)c2)C1 2325171851 AJHYXSQTNQEREX-RYUDHWBXSA-N 486.029 6.186 50 10 JKGE CCOc1cc(C=NNC(=O)[C@@H](NC(=O)OC(C)(C)C)[C@@H](C)CC)ccc1OCc1ccccc1C 2328821262 WWJTVDSXTWSEMS-DFBJGRDBSA-N 497.636 5.362 50 10 JKGE COc1ccccc1-c1csc(C(C#N)=C(O)c2ccc3c(c2)C(=O)N(Cc2ccccc2)C3=O)n1 2331281965 NIMNYLCUQIVRRS-UHFFFAOYSA-N 493.544 5.565 50 10 JKGE Cc1c([N+](=O)[O-])cc(C(O)=C(C#N)c2nc(-c3ccc(C(C)C)cc3)cs2)cc1[N+](=O)[O-] 2331342888 DKQKUQMRKXYLFD-UHFFFAOYSA-N 450.476 6.008 50 10 JKGE CCCCCCCOc1ccc(-c2csc(C(C#N)=C(O)Cc3c[nH]c4ccccc34)n2)cc1 2331344736 IVGCKQQBNZZRQN-UHFFFAOYSA-N 471.626 7.676 50 10 JKGE COc1ccc(-c2csc(C(C#N)=C(O)c3cc(C(F)(F)F)cc(C(F)(F)F)c3)n2)c(C)c1C 2331362167 DUCFYSUSIKRZJB-UHFFFAOYSA-N 498.448 7.423 50 10 JKGE Cc1ccc(C(C)(C)C)cc1-c1csc(C(C#N)=C(O)COc2cc(C)c(Cl)c(C)c2)n1 2331397140 MBZNJWLXNPORGA-UHFFFAOYSA-N 467.034 7.558 50 10 JKGE CCOc1cc(C=C(C#N)c2nc(-c3ccc4c(c3)OCCO4)cs2)cc(Br)c1O 2331451229 FDARXJFTIHOQEB-UHFFFAOYSA-N 485.359 5.512 50 10 JKGE Cc1cc(Br)c([C@@H](Br)[C@H]2C[C@@H]3C[C@@H]3CO2)c(C)c1Br 2333709317 ZXLPMOWGDKYTCH-MAWWSGROSA-N 453.012 5.689 50 10 JKGE Cc1cc(Br)c(C)c([C@H](Br)[C@H]2C[C@@H]3CC[C@H]2C3)c1Br 2334322003 OGHBHWDDLUOYRG-KZTGVZKYSA-N 451.040 6.701 50 10 JKGE CCCc1sc(Br)cc1[C@H](Br)c1cc(F)cc(Br)c1 2338024634 WSDTXSPDVBABQP-CQSZACIVSA-N 471.027 6.849 50 10 JKGE Clc1ccc(CN2C[C@H](Br)CC23CCCC3)c(I)c1 2341034166 FDCCSBSFNVXJRB-GFCCVEGCSA-N 454.577 5.227 50 10 JKGE COc1c(Br)cc(C)c([C@H](Br)[C@]23C[C@](C)(CO2)C3)c1Br 2365198431 ZTJQKPPNWLTONA-SOUVJXGZSA-N 469.011 5.534 50 10 JKGE CC(C)[C@H](Br)C(C)(C)CNC(=O)c1ccc(Br)cc1Br 2365854009 BZQCXMIZANDXJZ-ZDUSSCGKSA-N 470.043 5.387 50 10 JKGE ClC[C@]12CCCC[C@H]1CN(Cc1ccc(I)c(Br)c1)C2 2377312761 AXTDXACQWPLXGZ-BBRMVZONSA-N 468.604 5.285 50 10 JKGE Fc1cc([C@H](Cl)c2cc(Br)c(Br)cc2F)c(Cl)cc1Cl 2379735028 OQSPIFMWJIYAGZ-ZDUSSCGKSA-N 465.346 7.125 50 10 JKGE Clc1ccc(I)cc1CN1C[C@@H]2CCCC[C@@]2(CBr)C1 2380531734 TWHKKQUGAKREKJ-XJKSGUPXSA-N 468.604 5.332 50 10 JKGE CCN(C[C@](C)(CBr)OCc1cc(C(C)(F)F)ccn1)C(=O)OC(C)(C)C 2381512557 QDURMICEWYPOCD-SFHVURJKSA-N 451.352 5.121 50 10 JKGE O=C(N/N=C/c1ccc(Sc2nc3ccccc3s2)o1)c1cccc(Br)c1 3657032 ATFNWJZWIZMIPP-SRZZPIQSSA-N 458.362 5.567 50 10 JKGE CSc1sc(C)cc1[C@H]1C(C#N)=C(N)N(c2cccc(Cl)c2C)C2=C1C(=O)CCC2 9982166 XLQOAMFPASYXKU-FQEVSTJZSA-N 456.036 6.045 50 10 JKGE CC(C)(C)c1ccc(C(=O)N/N=C/c2ccc(/C=N/NC(=O)c3ccc(C(C)(C)C)cc3)cc2)cc1 12494036 QMJNHIVYQIIULX-GKTLAHRSSA-N 482.628 5.809 50 10 JKGE COc1cccc2cc(-c3nn(-c4ccccc4)cc3/C=C(\C#N)c3nc4ccccc4[nH]3)oc12 33515860 KQTHHGFCLGXKFN-XMHGGMMESA-N 457.493 6.235 50 10 JKGE N#C/C(=C/c1ccc(OC(=O)c2ccccc2)cc1)C(=O)Nc1ccc([N+](=O)[O-])cc1Br 33930261 QVQPABMGTLBQQU-ATVHPVEESA-N 492.285 5.122 50 10 JKGE N#C/C(=C/c1ccc(Cl)cc1Cl)c1nc(-c2cc3c(ccc4ccccc43)oc2=O)cs1 34856391 DNSUMJZSQSIRNT-SXGWCWSVSA-N 475.356 7.441 50 10 JKGE CC1=C(C#N)C(=O)N(C(C)C)C(=O)/C1=C/c1cn(-c2ccccc2)nc1-c1ccc(OC(C)C)c(C)c1 38604361 BRELSUOQUQMNAH-MFKUBSTISA-N 494.595 5.636 50 10 JKGE Cc1ccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)C(c4ccccc4)c4ccccc4)ccc32)cc1 38649335 UCGOCVGAMSTROG-LJAQVGFWSA-N 472.544 5.951 50 10 JKGE CCCCCOc1ccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4ccc(OCC)cc4)ccc32)cc1 38685384 NVXTVWGIRRXOQR-NDEPHWFRSA-N 498.579 6.092 50 10 JKGE Cc1c(C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@@H]3c2cccc(Cl)c2)oc2ccc(Cl)cc12 38687704 XOXIPFUUFVYCFB-HSZRJFAPSA-N 491.330 6.485 50 10 JKGE Cc1ccc(Cl)cc1-c1ccc(/C=N/NC(=O)c2cc3cc(Br)ccc3o2)o1 59303560 HNBIRBRMOMVINA-BHGWPJFGSA-N 457.711 6.181 50 10 JKGE Cc1ccc(Cl)cc1N/C(SCc1cccc(F)c1)=C(\C#N)S(=O)(=O)c1ccccc1 96482148 JGYHKQXWUQWCOB-FCQUAONHSA-N 472.994 6.299 50 10 JKGE CC[C@@H](CBr)COc1c(Br)cc(Br)cc1Br 96869903 JSDNQZROYRAZKV-ZETCQYMHSA-N 479.832 5.774 50 10 JKGE BrC[C@@H](Cc1cccc(Br)c1)Cc1sccc1Br 97184812 JUNZKQDRFSYRKR-NSHDSACASA-N 453.037 6.069 50 10 JKGE COc1ccc(-c2csc(/C(C#N)=C\Nc3cc(OC)c([N+](=O)[O-])cc3C)n2)cc1OC 102466409 AXYZLLYCCCFIEO-PTNGSMBKSA-N 452.492 5.029 50 10 JKGE CC1c2cc(C(C)(C)C)cc(C(C)(C)C)c2OP(F)Oc2c1cc(C(C)(C)C)cc2C(C)(C)C 104104701 MYMKXVFDVQUQLG-UHFFFAOYSA-N 486.652 9.996 50 10 JKGE COc1cccc(F)c1[C@H](Br)c1cc(Br)sc1Br 115071201 PADQFGXPKCXSDB-LLVKDONJSA-N 458.972 5.905 50 10 JKGE CCSCCCC(CBr)(CBr)c1ccc(Br)cc1 124358048 RWYMPQMSPSDPQS-UHFFFAOYSA-N 459.085 6.010 50 10 JKGE Fc1ccc(Cl)c(CC(CBr)(CBr)c2ccccc2Cl)c1 126232174 MALZUTCEURXIQQ-UHFFFAOYSA-N 454.992 6.403 50 10 JKGE Fc1ccc([C@H](Br)c2ccc(Br)cc2Cl)cc1Br 126618508 ZNHBVAAEEHGUSM-ZDUSSCGKSA-N 457.362 6.488 50 10 JKGE O=c1c(Br)cc(Br)cn1CC1(CBr)CCCCCC1 128482674 LBVIBPDDONODOD-UHFFFAOYSA-N 456.016 5.109 50 10 JKGE Brc1ccsc1[C@@H](Br)c1ccccc1I 128546920 DHWBMBSECIMLGL-JTQLQIEISA-N 457.956 5.600 50 10 JKGE C[C@](CBr)(NC(=O)c1cc(Br)ccc1Br)c1ccccc1 134451210 JRCNBZUUSLNLNZ-MRXNPFEDSA-N 476.006 5.252 50 10 JKGE CCOc1ccc(C)cc1[C@H](Br)c1cc(Br)ccc1Br 161098915 ZYLVACDXFUGDRI-MRXNPFEDSA-N 463.007 6.403 50 10 JKGE O=[N+]([O-])c1ccc(C[C@@H](Br)c2cc(Br)ccc2Br)cc1 161183481 NNXYEPPMWAGKDR-CQSZACIVSA-N 463.951 5.799 50 10 JKGE CCOc1cc(Cl)c([C@H](Br)c2csc(I)c2)cc1Cl 167010673 LRGSOSIISMYJMB-CYBMUJFWSA-N 492.003 6.543 50 10 JKGE CC1(C)C[C@H](NC(=O)N2CCC(c3cc4cc(Cl)ccc4[nH]3)CC2)C[C@@](C)(CN=C=O)C1 170290652 LECNATSJSUPQGF-NBGIEHNGSA-N 457.018 5.631 50 10 JKGE CCCCCOc1ccc(/C=C\C(=O)Oc2ccc(/C=C(\C#N)C(=O)NCCCC)cc2)cc1OC 207091696 ZHZOLSNULHBCPX-XEQSJMAKSA-N 490.600 5.706 50 10 JKGE C=CCOc1ccc(-c2nn(-c3ccccc3)cc2/C=C2\C(=O)N([C@H](C)CC)C(=O)C(C#N)=C2C)cc1 214258623 SZTAPJHYYATLKQ-OVZSPSEASA-N 492.579 5.495 50 10 JKGE CCOc1ccc(C)cc1[C@@H](C)NC(=O)/C(C#N)=C\Nc1ccc(Cl)cc1C(F)(F)F 217186834 UOHWDCHZGILTEL-QAALXFNPSA-N 451.876 5.763 50 10 JKGE CCOc1ccc([C@H](Cl)c2cccc(C)c2I)c(Br)c1 233803391 GCWHYAHLFWDCRN-HNNXBMFYSA-N 465.556 6.089 50 10 JKGE COc1ccc(C)cc1[C@H](Br)c1cc(Br)ccc1I 234834419 MJLRALXLWUMSBG-OAHLLOKOSA-N 495.980 5.855 50 10 JKGE COc1cc(Cl)c([C@@H](Cl)c2cc(Br)cc(Br)c2)cc1Cl 235020782 XXNCKJGOBPVRHG-AWEZNQCLSA-N 459.392 6.855 50 10 JKGE CC(=O)O[C@H]1CC[C@]2(C)[C@@H]3CC[C@]4(C)[C@H]([C@@H](C)CC[C@@H](C)C(C)C)CC[C@@H]4[C@@]34CC[C@@]2(C1)OO4 254295380 NQOHVZFOGSDCDQ-QMJBEJEDSA-N 474.726 7.492 50 10 JKGE CC(=NNC(=O)c1cc(C)nc2c1c(C)nn2-c1ccccc1)c1cc(Br)cs1 254511193 WJNCCLGUXVVMHW-UHFFFAOYSA-N 468.380 5.015 50 10 JKGE CCCCN(CC)C[C@@H](C(C)=NNC(=O)OC)[C@@H](c1ccccc1)c1c(O)c2ccccc2oc1=O 254738221 NFSLTZOYMBCKMZ-LADGPHEKSA-N 493.604 5.101 50 10 JKGE CCOc1ccc(C(=O)Oc2ccc3ccccc3c2C=NNC(=O)COc2ccccc2C)cc1 254758223 GYOUWHDVDJCGDK-UHFFFAOYSA-N 482.536 5.295 50 10 JKGE O=C(Nc1cc(I)ccc1Br)c1cccc(CCl)c1 302349545 WEIBVKNHXQGWIU-UHFFFAOYSA-N 450.501 5.045 50 10 JKGE Fc1cccc(Br)c1[C@@H]1CN(Cc2ccccc2)C[C@H]1CI 382687075 GOUJNGPCKZINFH-HUUCEWRRSA-N 474.155 5.239 50 10 JKGE CC(C)(C)OC(=O)N1C[C@@H](CI)[C@H](c2cccc(Cl)c2Cl)C1 394758037 SPQSUJHORVHTEX-ZYHUDNBSSA-N 456.151 5.379 50 10 JKGE CC(C)(C)[Si](C)(C)OCC[C@@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)O 606301363 LNVNYIRAWWXDCG-JOCHJYFZSA-N 455.627 5.390 50 10 JKGE CC(C)(C)[Si](C)(C)OCCc1ccc([C@@H]2CN(CCO[Si](C)(C)C(C)(C)C)CCN2)cc1 616633566 CKTBKPPBXFRITK-DEOSSOPVSA-N 478.870 6.219 50 10 JKGE CC(C)(C)[Si](C)(C)OCc1ccccc1[C@H]1c2ccccc2CCN1S(=O)(=O)c1ccccc1 616680041 GQVFQWUNALRSAB-HHHXNRCGSA-N 493.745 6.545 50 10 JKGE Fc1c(Br)ccc(COc2ccc(Br)cc2CBr)c1F 700987270 FWOSVXDZPRIQQA-UHFFFAOYSA-N 470.933 5.964 50 10 JKGE C[C@@H](O[C@@](C)(CI)c1ccccc1Br)C1CCCCC1 719735834 MCZYCANMEMAVLE-DYVFJYSZSA-N 451.186 6.085 50 10 JKGE BrCc1cc(Br)c(OCCc2ccns2)c(Br)c1 719834188 WHMSXDULGLMOHM-UHFFFAOYSA-N 455.997 5.185 50 10 JKGE CCOc1cc(C=NNC(=O)COc2ccccc2)ccc1OCc1cccc2ccccc12 1083896210 JNPDEHNKFFRACV-UHFFFAOYSA-N 454.526 5.347 50 10 JKGE O=C(NN=C(Cc1ccccc1)c1ccc(-c2ccccc2)cc1)c1ccc(N2CCCC2=O)cc1 1083927203 ONELCFIKNOYERB-UHFFFAOYSA-N 473.576 5.857 50 10 JKGE CCCCCCCCOc1ccc(C=NNC(=O)CSCC(=O)Nc2ccccc2)cc1 1083994929 YXMQOQJFZNXTKL-UHFFFAOYSA-N 455.624 5.248 50 10 JKGE CCc1ccc(NC(=O)c2oc3c(c2C)C(=NNC(=O)c2ccc(-c4ccccc4)cc2)CCC3)cc1 1772747341 NMYJHZDPAWYAMD-UHFFFAOYSA-N 491.591 6.540 50 10 JKGE Cc1c(C(=O)Nc2ccc(N=Nc3ccccc3)cc2)oc2c1C(=NNC(=O)c1cccs1)CCC2 1772748710 FBXFXEFSECCXDW-UHFFFAOYSA-N 497.580 6.788 50 10 JKGE COc1cc(C=NNC(=O)COc2cc(C)ccc2C)ccc1OCc1c(Cl)cccc1Cl 1772753671 AYOAJAKSNUBQKK-UHFFFAOYSA-N 487.383 5.727 50 10 JKGE CCc1nn(Cc2cccc(Cl)c2)c2c1[C@@H](c1c(OC)ccc3ccccc13)C(C#N)=C(N)O2 1865688577 VLDPALGKVOAMOG-XMMPIXPASA-N 470.960 5.527 50 10 JKGE CCOc1ccc([C@H]2C(C#N)=C(N)Oc3c2c(-c2ccc(OC)cc2)nn3-c2ccc(Cl)cc2)cc1 1865694684 ZEOWCPHXZADNIK-DEOSSOPVSA-N 498.970 5.818 50 10 JKGE CCc1nn(C)c2c1[C@H](c1ccc(OCc3ccc(Cl)cc3Cl)cc1)C(C#N)=C(N)O2 1865701523 XLCKREDCTHZOIW-HXUWFJFHSA-N 455.345 5.086 50 10 JKGE CCn1c(/C(C#N)=C/c2ccc(-n3nc(-c4ccccc4)cc3-c3ccccc3)cc2)nc2ccccc21 1872731264 VOTDLIXSXODLTL-SZXQPVLSSA-N 491.598 7.640 50 10 JKGE N#C/C(=C(/O)[C@H]1CC(=O)N(Cc2ccccc2)C1)c1nc(-c2cccc3ccccc23)cs1 1872751967 JGEPQCOMQSNSJO-UOODYVSWSA-N 451.551 5.805 50 10 JKGE Cc1ccc([C@H](Br)c2c(C)nsc2Br)c(C)c1Br 1912932002 LNZSEFYIHBQELW-LBPRGKRZSA-N 454.025 6.078 50 10 JKGE Brc1cccc(Br)c1C[C@@H]1CCCCCCCC[C@H]1Br 1913417718 WEMMIZAZPOUGJK-DZGCQCFKSA-N 467.083 7.268 50 10 JKGE C[C@@H](CBr)N(Cc1ccccc1)C(=O)c1cc(Br)ccc1Br 1914226162 DEGSPRQJUDPKBX-LBPRGKRZSA-N 490.033 5.637 50 10 JKGE O=C(c1ccccc1I)N(Cc1ccccc1)C1(CBr)CCC1 1915742607 YCEDAWDSQMBVPW-UHFFFAOYSA-N 484.175 5.251 50 10 JKGE Cc1c(Br)sc([C@@H](Br)[C@@H]2C(F)(F)C23CC3)c1Br 1922932152 JECQVCZVBFVWEU-SVRRBLITSA-N 450.968 6.063 50 10 JKGE FC(F)(F)c1ccc([C@@H](Br)c2sc(Br)cc2Br)cc1 1922955329 YIDHKOYUMAVJCZ-SNVBAGLBSA-N 478.953 6.776 50 10 JKGE CCCC[C@H](C)[C@H](Br)c1c(Br)sc(Br)c1Cl 1923068183 OBSZOWSUWSLSJM-XPUUQOCRSA-N 453.465 7.189 50 10 JKGE C[C@H](c1ccncc1Br)[C@@H](Cl)c1ccc(I)c(Cl)c1 1924043525 MPDVVLFLOZKXCC-XLKFXECMSA-N 470.963 6.186 50 10 JKGE C[C@H](c1ccncc1Br)[C@@H](Cl)c1c(Br)cccc1Br 1924071440 XOUXTIBQWZAYGV-XLKFXECMSA-N 468.414 6.453 50 10 JKGE Clc1cc(Br)c([C@H](Br)c2csc(Br)c2)s1 1933588870 RJWMTYAXXGZLJJ-MRVPVSSYSA-N 451.430 6.472 50 10 JKGE Clc1cc(Br)c([C@@H](Br)Cc2ccccc2Br)s1 1948826646 TWQYSFVJHQSJGW-VIFPVBQESA-N 459.428 6.605 50 10 JKGE CC(C)(CBr)N(Cc1ccccc1)Cc1cc(Br)ccc1Br 1962459918 RKAKCHAWMJRWLS-UHFFFAOYSA-N 490.077 6.387 50 10 JKGE Fc1ccc(I)cc1[C@H](Cl)c1cc(Cl)c(Br)s1 2003649559 LIJNYVXXICGMEM-JTQLQIEISA-N 465.940 6.236 50 10 JKGE CC[C@H](C)N(Cc1ccccc1)S(=O)(=O)c1cc(CBr)ccc1Br 2009657985 IISBEXUTZBBPSH-AWEZNQCLSA-N 475.246 5.333 50 10 JKGE Brc1ccc([C@H](Br)c2ccc(C3CC3)s2)c(I)c1 2086153289 JSPTZKOTKOBTNQ-AWEZNQCLSA-N 498.021 6.477 50 10 JKGE COCc1cc(Br)c([C@H](Cl)c2cccc(Br)c2Br)s1 2092336050 TYAFTDPAFZIYCX-GFCCVEGCSA-N 489.454 6.510 50 10 JKGE Cc1ccc(Br)c([C@@H](Br)c2cc(C3CC3)c(Br)s2)c1 2094673183 IIHXYCNFKFBXCT-CQSZACIVSA-N 465.048 6.943 50 10 JKGE O=C(c1scc(Br)c1Br)N1C[C@@H](Br)CC2(CCC2)C1 2094997326 OBFZHILVZNONBI-QMMMGPOBSA-N 472.040 5.053 50 10 JKGE O=C(NC[C@H]1CCCC[C@H](Br)C1)c1cc(Br)sc1Br 2107481244 PASDIWWWGRVBIV-IUCAKERBSA-N 474.056 5.347 50 10 JKGE Fc1c(Cl)cccc1C[C@H](Br)c1cc(Br)ccc1Br 2113464620 YAJHWLRVWKQROL-LBPRGKRZSA-N 471.389 6.683 50 10 JKGE C[C@@H](CCCCCBr)NC(=O)c1ccc(Br)cc1Br 2117893330 HSGNCIQSTSFLFE-JTQLQIEISA-N 456.016 5.285 50 10 JKGE COc1ccc([C@@H](Cl)c2ccc(Br)cc2I)c(Cl)c1 2142287746 OLUWNLKBXZSQGE-CQSZACIVSA-N 471.947 6.044 50 10 JKGE Clc1cc(CN[C@@H](CBr)C2CCCCC2)ccc1I 2142950686 UBRFETIDVHZJPO-HNNXBMFYSA-N 456.593 5.378 50 10 JKGE CC1(C)CC[C@H](CBr)N(C(=O)c2cccc(Br)c2Br)C1 2148753794 SOXDXLZSCLBMFE-SNVBAGLBSA-N 468.027 5.237 50 10 JKGE ClCc1nc2cc(Br)c(Cl)cc2n1[C@H]1CCOC[C@H]1OCc1ccccc1 2159868110 ZUHGYWRQPJEGAC-PKOBYXMFSA-N 470.194 5.738 50 10 JKGE Fc1cc(Br)cc(N2Cc3cccc(Br)c3C2)c1CBr 2170697441 UECMKCQVWHEMCZ-UHFFFAOYSA-N 463.970 5.766 50 10 JKGE Cc1cc(Br)c(CBr)c(N(C)Cc2cccc(Br)c2)c1 2173443969 HPWWRGTUXGAHPW-UHFFFAOYSA-N 462.023 6.051 50 10 JKGE Brc1ccc(Br)c(CN2CCC[C@@H]3CC[C@H](Br)C[C@@H]32)c1 2175153976 DCNPCQLBURRBDJ-WPGHFRTFSA-N 466.055 5.740 50 10 JKGE CCc1cc([C@@H](Br)c2cccc(Br)c2Br)c(F)cc1F 2175394029 IZHLXKBIHFWCBV-AWEZNQCLSA-N 468.961 6.537 50 10 JKGE CC(C)CNCc1cc(Br)c(OC[C@@H]2C[C@H]2Br)c(Br)c1 2196908237 WMIOKINPFZAAPU-NWDGAFQWSA-N 470.043 5.119 50 10 JKGE Clc1cc(Cl)cc(CO[C@H](CI)c2ccccc2Br)c1 2197897011 YWJRIDDZWVIKEC-OAHLLOKOSA-N 485.974 6.449 50 10 JKGE Cc1cc(Br)c(C)c([C@@H](Br)[C@@H]2CCCCC23CC3)c1Br 2201075765 DEXQMGDWPUBXTK-LRDDRELGSA-N 465.067 7.235 50 10 JKGE Cc1c(Br)ccc([C@@H](Br)C(C)(C)c2ccccc2)c1Br 2203684759 ICKBPVGXODEBEF-MRXNPFEDSA-N 461.035 6.934 50 10 JKGE CO[C@H]1C[C@H]([C@H](Br)c2ccc(Br)c(C)c2Br)C[C@H]1OC 2203706745 TYNPTSVLWPRMCD-WTKQLKIWSA-N 471.027 5.396 50 10 JKGE Cc1c(Br)sc([C@@H](Cl)c2cc(Br)sc2Br)c1C 2213626692 GRCQQUQRCCNYAB-QMMMGPOBSA-N 479.484 7.042 50 10 JKGE CC(C)([C@H](Br)c1cc(Br)c(Br)cc1F)[C@H]1CCCO1 2225616280 NTWQOZYNINDQSD-CHWSQXEVSA-N 458.991 5.992 50 10 JKGE COc1cc(F)c([C@@H](Br)c2cc(Br)c(C)s2)cc1Br 2226087514 DPYFQXAINDDXAK-CYBMUJFWSA-N 472.999 6.214 50 10 JKGE CCCCCCCCCCO[C@@](C)(CI)CN(CC)C(=O)OC(C)(C)C 2231037953 PESYTZSBBBDYLC-NRFANRHFSA-N 483.475 6.594 50 10 JKGE Cc1cc(Br)c([C@@H](Br)c2ccc(Br)c(F)c2)c(C)c1Cl 2232526136 GOLRZZBUWYTFMI-AWEZNQCLSA-N 485.416 7.105 50 10 JKGE Clc1cc(Br)c([C@@H](Br)[C@@]23CCC[C@@H](C2)OC3)c(Cl)c1Cl 2232526583 JIYPHVAKCXRZDE-MEYOVJIESA-N 463.424 6.805 50 10 JKGE CCOCc1cc(Br)c([C@@H](Br)c2c(C)nn(C)c2Br)s1 2233014601 CFUWFXQSAQRJDS-NSHDSACASA-N 487.055 5.336 50 10 JKGE Cc1cc(Br)c([C@@H](Br)c2cc3cscc3s2)c(C)c1Br 2235612991 UCEUMHKITGGACB-HNNXBMFYSA-N 495.099 7.589 50 10 JKGE COc1cc(Br)c([C@@H](Br)Cc2ccccc2Br)cc1C 2236012998 DIQYECFTUDGSQV-AWEZNQCLSA-N 463.007 6.207 50 10 JKGE Cc1sc([C@H](Cl)c2c(Br)cc(F)c(Cl)c2F)c(Br)c1C 2237632497 YKPAMAFCOKVREH-LLVKDONJSA-N 464.984 7.150 50 10 JKGE Cc1sc([C@H](Cl)c2c(F)cccc2I)c(Br)c1C 2255903242 WACFTJONNVKRRU-GFCCVEGCSA-N 459.549 6.199 50 10 JKGE Cc1sc(Br)cc1[C@H](Br)c1cc(F)c(Br)cc1Cl 2255970909 YGNZNKUREASXLY-LBPRGKRZSA-N 477.418 6.858 50 10 JKGE Cc1sc([C@H](Br)c2cccc(Cl)c2Br)c(C)c1Br 2256125322 LDRSVGFNUGRQBS-GFCCVEGCSA-N 473.455 7.028 50 10 JKGE COc1cc(Br)c(OCC2(CBr)CC(C)C2)cc1Br 2265296046 YSFCOBDQHNNXHH-UHFFFAOYSA-N 457.000 5.410 50 10 JKGE Brc1cc(Br)cc([C@@H](Br)c2ccc(C3CCC3)s2)c1 2271972757 KHXMMWKZLRURJS-OAHLLOKOSA-N 465.048 7.025 50 10 JKGE Cc1csc([C@@H](Cl)c2c(F)cc(Br)c(F)c2Br)c1Cl 2272721414 HWPCVZRNUMJCFW-JTQLQIEISA-N 450.957 6.841 50 10 JKGE Cc1ccc([C@H](Br)Cc2cc(Br)cc(Br)c2)c(Cl)c1 2277964812 HOQPVZCQUOFMIM-CQSZACIVSA-N 467.426 6.852 50 10 JKGE Fc1cccc(I)c1[C@@H](Cl)c1ccc2c(c1Br)CCO2 2282887702 GIZKLTPDKSKQFR-HNNXBMFYSA-N 467.503 5.456 50 10 JKGE Clc1cccc([C@@H](Br)c2ccc3c(c2Br)CCO3)c1Br 2283194599 PVXUPSLAWNKOFD-CQSZACIVSA-N 481.409 6.284 50 10 JKGE COc1cc(C)c(Br)c(C)c1[C@H](Br)c1c(C)nsc1Br 2285066806 RWTFZRFMGQFBOK-ZDUSSCGKSA-N 484.051 6.086 50 10 JKGE Cc1ccc(Cl)cc1[C@H](Br)c1c(F)cc(Br)c(F)c1Br 2288348875 JQBMSOQKTPRDKW-LBPRGKRZSA-N 489.379 6.936 50 10 JKGE CC1(C)[C@H]2CO[C@@]1([C@@H](Br)c1c(F)cc(Br)c(F)c1Br)C2 2289310941 NVCICRPWMHRYPD-JPLJRGCISA-N 474.965 5.741 50 10 JKGE C[C@H]1CCCC[C@@H]1NC(=O)C(C#N)=Cc1ccc(OCc2ccccc2)c(Br)c1 2295196112 VQPNGUTWDSRJRT-JTSKRJEESA-N 453.380 5.630 50 10 JKGE COc1ccccc1NC(=O)C(C#N)=Cc1cn(-c2ccccc2)nc1-c1ccc(Cl)cc1 2295326923 IJUUHVIMFFHDLX-UHFFFAOYSA-N 454.917 5.747 50 10 JKGE C[C@@]1([C@@H](Br)Cc2cc(Br)cc(Br)c2)CCCCC1(F)F 2295332626 ZGNJIRPIPZIORF-KBPBESRZSA-N 475.009 6.733 50 10 JKGE COc1cc(OC)c([C@@H](Br)c2sc(C)cc2Br)cc1Br 2295418011 BENUYHVBPSPSFF-CYBMUJFWSA-N 485.035 6.083 50 10 JKGE N#CC(=CNc1ccc2c(c1)OCO2)c1nc(-c2cc3cc(Br)ccc3oc2=O)cs1 2296756824 QCDYZWIAMJSDAC-UHFFFAOYSA-N 494.326 5.384 50 10 JKGE COc1cc(C=C(C#N)c2nc(-c3cccc(Br)c3)cs2)cc(Br)c1O 2296770732 NNSUVOUQIGRBAO-UHFFFAOYSA-N 492.192 6.113 50 10 JKGE COc1cc(C=C(C#N)C(=O)Nc2ccc(F)cc2)ccc1OCc1ccc(Cl)cc1Cl 2297454967 JZJKIXRCMJQCLT-UHFFFAOYSA-N 471.315 6.266 50 10 JKGE COc1ncc(Br)c(C)c1CN(Cc1ccccc1)[C@@H](C)CCBr 2303085538 KDEZJTJZBCOADB-AWEZNQCLSA-N 456.222 5.337 50 10 JKGE N#CC(=Cc1ccccc1OCc1ccc2ccccc2c1)C(=O)Nc1cccc(Cl)c1Cl 2313570596 ARUALXNFODCYJX-UHFFFAOYSA-N 473.359 7.271 50 10 JKGE C=CCc1cc(C=C(C#N)C(=O)Nc2cccc(Cl)c2Cl)cc(Br)c1OC 2313570733 FAQQFXHFQQVOPH-UHFFFAOYSA-N 466.162 6.039 50 10 JKGE CCn1cc(Br)c([C@H](Cl)c2ccc(OCc3ccccc3)cc2Br)n1 2314443240 GBLOTPVNNPGARB-GOSISDBHSA-N 484.619 6.335 50 10 JKGE Fc1ccc(C[C@@H](Br)c2cc(Br)ccc2OCc2ccccc2)cc1 2314490543 NIFRVYOXYGYLBV-HXUWFJFHSA-N 464.172 6.846 50 10 JKGE CCOC(=O)c1ccc(NC(=O)C(C#N)=Cc2ccc(-c3c(Cl)cccc3Cl)o2)cc1 2314571747 LGVKJFIKKAKVHQ-UHFFFAOYSA-N 455.297 5.976 50 10 JKGE CCOc1ccc(N2C(=O)[C@@H](Cc3ccc(C)cc3)SC2=C(C#N)C(=O)Nc2ccccc2C)cc1 2314591688 BHLTZWXVOZWTBT-AREMUKBSSA-N 497.620 5.767 50 10 JKGE C=CCNC(=O)C(C#N)=C1S[C@H](Cc2cccc(Cl)c2Cl)C(=O)N1c1ccc(CC)cc1 2314592771 BKWVGQPJXUSAQO-HXUWFJFHSA-N 486.424 5.284 50 10 JKGE Cc1ccc(N2C(=O)[C@H](Cc3ccccc3C)SC2=C(C#N)C(=O)N[C@H](C)c2ccccc2)cc1C 2314593610 PXGVKFLNQPZBBW-AMGIVPHBSA-N 495.648 5.916 50 10 JKGE C=CCOc1ccc(-c2nn(-c3ccccc3)cc2C=C2C(=O)N(C(C)C)C(=O)C(C#N)=C2C)cc1C 2314611578 XNUFICANHKESDK-UHFFFAOYSA-N 492.579 5.413 50 10 JKGE Fc1c(Br)cc(Cl)c([C@@H](Cl)c2cc(Br)cs2)c1Br 2315456402 RJWJDMJNUAKDFQ-JTQLQIEISA-N 497.836 7.156 50 10 JKGE CC1(C)C[C@@H](Br)CCN1Cc1ccc(I)c(Br)c1 2325231956 XRZBBLVRBXHALJ-NSHDSACASA-N 487.017 5.192 50 10 JKGE CC[C@H](C)[C@H](C(O)=C(C#N)c1nc(-c2ccc(F)cc2F)cs1)N1C(=O)c2ccccc2C1=O 2331293044 KXBGCGPGXLIVQB-YEJXKQKISA-N 479.508 5.592 50 10 JKGE C[C@@H](Oc1ccc(Cl)cc1Cl)C(O)=C(C#N)c1nc(-c2cccc3ccccc23)cs1 2331339391 DGBYFIPGOHMPNC-CQSZACIVSA-N 467.377 7.530 50 10 JKGE CC(C)c1ccc(-c2csc(C(C#N)=C(O)Cc3ccc(OCc4ccccc4)cc3)n2)cc1 2331340351 VTEBQZLBYLEPHM-UHFFFAOYSA-N 466.606 7.548 50 10 JKGE Cc1ccc(-c2csc(C(C#N)=C(O)CN3C(=O)COc4ccc(Cl)cc43)n2)cc1C 2331385046 AASQRFSHYIVIIX-UHFFFAOYSA-N 451.935 5.299 50 10 JKGE CCCCOc1ccc(C=C(C#N)c2nc(-c3cccc(Br)c3)cs2)cc1OCC 2331431900 CCKAZTLERXAYLT-UHFFFAOYSA-N 483.431 7.214 50 10 JKGE COc1cc(Br)cc(C=C(C#N)c2nc(-c3ccc(Cl)c(Cl)c3)cs2)c1O 2331443903 LLGHOUIWHRTWGX-UHFFFAOYSA-N 482.186 6.658 50 10 JKGE N#CC(=Cc1ccccc1OCc1ccccc1Cl)c1nc(-c2c[nH]c3ccccc23)cs1 2331461876 RFSPKIXGGLRSFB-UHFFFAOYSA-N 467.981 7.588 50 10 JKGE Brc1cc(Br)c([C@@H](Br)[C@@H]2C[C@H]2C2CCCCCC2)s1 2332687871 GBIVTQKOYRHIMG-WDMOLILDSA-N 471.096 7.316 50 10 JKGE FC1(F)[C@H]2CC(CBr)(Cc3ccc(Cl)c(I)c3)C[C@@H]21 2337222858 DTPKGZWFTMRYAJ-UWVGGRQHSA-N 461.515 5.544 50 10 JKGE Fc1cc(Br)cc(OCc2cccc(I)c2)c1CCl 2341782806 JIYUHKYLBZXSKA-UHFFFAOYSA-N 455.492 5.511 50 10 JKGE ClC[C@@H]1C[C@@H]2CCC[C@@H]2N1Cc1ccc(I)c(Br)c1 2349825313 CKNDDJHPDCWNKG-HUBLWGQQSA-N 454.577 5.036 50 10 JKGE ClC[C@@H](NCc1ccc(I)c(Br)c1)[C@H]1CC=CCC1 2349858979 UFVATZNVXOLURA-SWLSCSKDSA-N 454.577 5.107 50 10 JKGE FC(F)(F)[C@H]1C[C@@H](Br)CCN1Cc1cc(Cl)ccc1I 2361417004 KHTFFOHVGFAMMG-JOYOIKCWSA-N 482.509 5.235 50 10 JKGE FC(F)(F)[C@@H]1C[C@H](Br)CCN1Cc1cc(Cl)ccc1I 2361417005 KHTFFOHVGFAMMG-SKDRFNHKSA-N 482.509 5.235 50 10 JKGE Clc1cc(Cl)cc(CC[C@@H](Cl)c2c(Br)cccc2Br)c1 2366885391 RAGBXDXSUSXYQC-CQSZACIVSA-N 457.420 7.431 50 10 JKGE CC1(C)CC[C@@H](CO[C@@](C)(CI)c2ccccc2Br)C1 2367332866 YSEMGKWOTDTQKU-DYVFJYSZSA-N 451.186 5.942 50 10 JKGE Cc1cc(Br)c([C@H](Br)C[C@H]2CC[C@@H]2C2CC2)c(C)c1Br 2367953127 KTLVITHTXJESGU-UMVBOHGHSA-N 465.067 7.091 50 10 JKGE Cc1cc(Br)c(C(C)C)cc1[C@@H](Br)c1c(C)nsc1Br 2380943876 GKICHEBGMHSDPV-CQSZACIVSA-N 482.079 6.893 50 10 JKGE Cc1ccc([C@@H](C(=O)NC2CCCCCC2)N(C(=O)CCl)[C@@H]2CCCc3ccccc32)cc1 3038851 PIZNFYUUSQBBEG-VPUSJEBWSA-N 467.053 6.020 50 10 JKGE CCN(CC)c1ccc(/C=N/NC(=O)c2[nH]c3ccc([N+](=O)[O-])cc3c2-c2ccccc2)cc1 27520393 CWSFFSMIRKHEAP-WPWMEQJKSA-N 455.518 5.353 50 10 JKGE N#CC1=C(N)Oc2cc(OC(=O)c3ccco3)ccc2[C@@H]1c1ccc(OCc2ccccc2)cc1 38650928 DODAURJCHNFZQM-SANMLTNESA-N 464.477 5.296 50 10 JKGE Cc1ccc(C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@H]3c2cccc(Br)c2)cc1 38651442 NQZJXMPJHUBYFM-QFIPXVFZSA-N 461.315 5.195 50 10 JKGE CCCOc1ccccc1C(=O)Oc1ccc2c(c1)OC(N)=C(C#N)[C@@H]2c1ccc(Cl)cc1Cl 38655609 USUFHHNGAKVBJH-XMMPIXPASA-N 495.362 6.220 50 10 JKGE C=CCOc1ccc(C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@@H]3c2ccc(Cl)c(Cl)c2)cc1 38655893 ZBTDWSJOKOEPRW-XMMPIXPASA-N 493.346 5.996 50 10 JKGE Cc1ccc(NC(=O)c2oc3c(c2C)/C(=N/NC(=O)C(c2ccccc2)c2ccccc2)CCC3)nc1 40815595 SBJPBQHJBNIHGZ-GZZLJNBRSA-N 492.579 5.532 50 10 JKGE CC(C)(C)c1ccc(OCC(=O)N/N=C/c2cccc(Br)c2)c(Br)c1 40950799 ZZZNPEBXTJLEIB-SSDVNMTOSA-N 468.189 5.038 50 10 JKGE N#C/C(=C/c1cn(Cc2cccc(F)c2)c2ccccc12)C(=O)Nc1ccc(Cl)c(Cl)c1 59117596 CTCMYZSAWYKOGG-BOPFTXTBSA-N 464.327 6.681 50 10 JKGE COc1ccc(/C=N/NC(=O)c2cc(Br)ccc2O)cc1COc1ccccc1Cl 85391475 OJMWWQOGRKNXQN-BRJLIKDPSA-N 489.753 5.160 50 10 JKGE O=C(N/N=C/c1ccc(Cl)cc1Cl)c1ccccc1OCc1ccc(Br)cc1 96095889 YCSOHSRUXUXCRQ-BRJLIKDPSA-N 478.173 6.099 50 10 JKGE N#C/C(=C(/O)c1ccc(-c2ccc(Cl)cc2Cl)o1)c1nc(-c2ccc(F)cc2)cs1 100989863 HCXVFZBPAXPURZ-PGMHBOJBSA-N 457.313 7.466 50 10 JKGE CCCCN(CCCC)CN1C(=O)/C(=N/NC(=O)c2ccc(C)cc2)c2cc(Br)ccc21 102939380 BYRNCKCHTNPYKA-SLEBQGDGSA-N 499.453 5.098 50 10 JKGE Brc1cccc([C@@H](Br)c2cc3c(cc2Br)OCCCO3)c1 109865227 OZVCPXAMSRBDGU-MRXNPFEDSA-N 476.990 5.857 50 10 JKGE COc1cc(C)c(Br)cc1[C@H](Br)c1ccc(Br)cc1F 115867255 WEBPFWKPQMGJAY-OAHLLOKOSA-N 466.970 6.152 50 10 JKGE CCCOc1c(Br)cc(Br)cc1/C=C(/CBr)C(C)C 118581230 KMIVYFAPLOHZFZ-SDQBBNPISA-N 455.028 6.435 50 10 JKGE Brc1cc([C@H](Br)[C@H]2COc3ccccc3O2)sc1Br 128273231 DROWLGATEBGJOK-ZYHUDNBSSA-N 468.992 5.549 50 10 JKGE Cc1cc(Br)c([C@H](Br)[C@H]2CCOc3ccccc32)cc1Br 128806082 HKUITGRQGNEQCB-YVEFUNNKSA-N 475.018 6.522 50 10 JKGE CC(C)(C)C1CCC(CI)(OCc2ccc(Br)cc2)CC1 162531394 MSGNMCTZRPUHAK-UHFFFAOYSA-N 465.213 6.376 50 10 JKGE Brc1cc([C@@H](Br)[C@H]2C[C@@H]2c2ccccc2)c(Br)s1 164299001 QFYJSQQFQNMCTQ-NRUUGDAUSA-N 451.021 6.513 50 10 JKGE CCCOc1c(Cl)cc(/C=N\NC(=O)c2ccc3[nH]c4c(c3c2)C[C@H](C)CC4)cc1Cl 169891377 DQWHADNFXIFCKD-RKFIUVANSA-N 458.389 6.152 50 10 JKGE CCOc1ccc([C@@H](Br)c2ccc(F)cc2Br)cc1Br 228995317 LENIJCBVKWKUQS-OAHLLOKOSA-N 466.970 6.234 50 10 JKGE Brc1ccc(I)cc1[C@H](Br)Cc1ccsc1 232479236 JUDSTOJUSJPZQL-GFCCVEGCSA-N 471.983 5.794 50 10 JKGE COc1ccc([C@H](Br)c2cc(Br)ccc2I)cc1F 234992652 PWIQXGBHKPGFTD-AWEZNQCLSA-N 499.943 5.686 50 10 JKGE CC(=NNC(=O)c1cc(Br)ccc1O)c1ccc(OCc2ccc(Cl)cc2)cc1 252629409 UFFNEZSYHYSFGZ-UHFFFAOYSA-N 473.754 5.541 50 10 JKGE 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 257683069 YLQIANWVVVMWMO-XQWACYGOSA-N 482.661 6.123 50 10 JKGE biogenic O=C(OCc1ccccc1)N1C[C@H](c2ccc(Cl)cc2F)[C@@H](CI)C1 382681711 AWKBLNCLHVEKFH-YOEHRIQHSA-N 473.713 5.266 50 10 JKGE Cc1cc(Br)c([C@H](Cl)c2cc(Br)c(Br)s2)cc1Cl 385126860 TZLUFBZONHNGKP-NSHDSACASA-N 493.873 7.326 50 10 JKGE C[C@]1(Cn2c(CCl)nc3cc(Br)c(F)cc32)CCCN1Cc1ccccc1 398047280 CJTUFILOPLGSBA-OAQYLSRUSA-N 450.783 5.731 50 10 JKGE C[C@@]1(n2c(CCl)nc3cc(I)c(F)cc32)CCN(Cc2ccccc2)C1 405968686 QDJYHNINVSSGOI-HXUWFJFHSA-N 483.756 5.140 50 10 JKGE Cc1cc(C)c([P@@](=O)(O[C@@H]2C[C@H](C)CC[C@H]2C(C)C)c2cc(C(F)(F)F)ccc2O)c(C)c1 585662298 FDWKHAUOWDQTPL-VGBSGQOHSA-N 482.523 7.043 50 10 JKGE Cn1cc(Br)c([C@@H](Br)c2ccc(Br)c3ccccc23)n1 693043705 MQUAHGMOQYULDE-AWEZNQCLSA-N 458.979 5.583 50 10 JKGE Fc1cc2c(cc1Cl)nc(CCCl)n2CC1(N(Cc2ccccc2)Cc2ccccc2)COC1 705604866 NICXKMPEAMFLEM-UHFFFAOYSA-N 498.429 6.082 50 10 JKGE C[C@H](Cl)c1nc2cc(I)ccc2n1C[C@@H]1CN(Cc2ccccc2)C[C@H]1C 708572808 GJBYQDBAZPCMHU-RYRKJORJSA-N 493.820 5.709 50 10 JKGE C[C@H]1Cc2cc(Br)cc([C@@H](Cl)c3cccc(I)c3)c2O1 720126093 SEXBOBHTMFKQSN-VFZGTOFNSA-N 463.540 5.705 50 10 JKGE COc1cc(C=NNC(=O)CC[C@@H](O)c2ccccc2)ccc1OCc1ccc(Cl)c(Cl)c1 725381675 IQSRKVLTOSDNNW-JOCHJYFZSA-N 487.383 5.545 50 10 JKGE CC(C)c1ccc(NC(=O)C(=O)NN=Cc2ccc(OCc3ccc(Br)cc3)cc2)cc1 1083981536 QOEHHYOLGMNJMH-UHFFFAOYSA-N 494.389 5.240 50 10 JKGE COc1cc(/C=C(\C#N)C(=O)NCc2ccccc2)cc(Br)c1OCc1ccccc1F 1084116887 WMHLIQMIZUAEHA-RGVLZGJSSA-N 495.348 5.399 50 10 JKGE CC(C)(C)c1ccc(-n2nc(-c3ccc(I)cc3)cc2CCl)cc1 1614817356 PKAWRRMSXMTUED-UHFFFAOYSA-N 450.751 6.180 50 10 JKGE Cc1c(C(=O)N2c3ccc(F)cc3CC[C@H]2C)oc2c1C(=NNC(=O)c1ccccc1Cl)CCC2 1772744211 SJKLWCOUOLWDFL-OAHLLOKOSA-N 493.966 5.832 50 10 JKGE Cc1ccc(NC(=O)c2oc3c(c2C)C(=NNC(=O)Cc2coc4cc(C)cc(C)c24)CCC3)c(C)c1 1772751578 FXUYPDBDFRYRJK-UHFFFAOYSA-N 497.595 6.220 50 10 JKGE N#CC1=C(N)Oc2c(c(-c3ccccc3)nn2-c2ccc(Br)cc2)[C@@H]1c1ccccc1 1865680151 AABDIPDAZZOGIV-OAQYLSRUSA-N 469.342 5.520 50 10 JKGE CCCCCOc1ccc([C@H]2C(C#N)=C(N)Oc3c2c(C)nn3Cc2ccccc2F)cc1OCC 1865690823 BXILILUXGVUVDX-SANMLTNESA-N 490.579 5.565 50 10 JKGE COc1cc([C@H]2C(C#N)=C(N)Oc3c2c(-c2ccccc2)nn3-c2ccccc2)ccc1OC(C)C 1865697149 OFZRJFSYLSTKPX-VWLOTQADSA-N 478.552 5.553 50 10 JKGE COc1ccc(-c2nn(-c3ccc(Cl)cc3)c3c2[C@@H](c2cccs2)C(C#N)=C(N)O3)cc1 1865697979 HJRJOKICLVUSJF-HXUWFJFHSA-N 460.946 5.481 50 10 JKGE CCCc1nn(Cc2cc(C)ccc2C)c2c1[C@@H](c1ccc(N(CC)CC)cc1)C(C#N)=C(N)O2 1865702307 SCUGBSXQXRYDLI-SANMLTNESA-N 469.633 5.565 50 10 JKGE N#CC1=C(N)Oc2c(c(C(F)(F)F)nn2Cc2ccccc2)[C@@H]1c1ccc(C(F)(F)F)cc1 1865711053 ORJXJUGIWYGECN-MRXNPFEDSA-N 464.369 5.187 50 10 JKGE COC(=O)c1c(NC(=O)/C(C#N)=C/c2ccc(OC)cc2)sc2c1CC[C@H](C(C)(C)C)C2 1866126727 KJJWLSWZHFCQLS-MOKGIYGOSA-N 452.576 5.240 50 10 JKGE C/C(=C\c1ccccc1Cl)C(=O)N[C@H](Cc1ccc(F)cc1)C(=O)Nc1ccc(SC#N)cc1 1866816778 ZHJSXVVZCJNPCB-CQLKWFSRSA-N 493.991 5.822 50 10 JKGE CSCC[C@H](NC(=O)[C@H](c1ccc(Cl)cc1)C1CC1)C(=O)Nc1ccc(SC#N)cc1 1866999464 GHUWXSREVFSYFL-SFTDATJTSA-N 474.051 5.283 50 10 JKGE C[C@@H]1CN(c2cc(Nc3ccc(SC#N)cc3)nc(-c3ccccc3Cl)n2)C(C)(C)CO1 1868414070 HPZIYMIOGUBHCB-MRXNPFEDSA-N 466.010 6.117 50 10 JKGE C[C@@H]1CN(c2cc(Nc3ccc(SC#N)cc3)nc(-c3ccc(Cl)cc3)n2)C(C)(C)CO1 1868433111 DYXZJLRGTUQVFP-MRXNPFEDSA-N 466.010 6.117 50 10 JKGE C[C@@H](c1ccccc1)N1C[C@@H](/C(O)=C(\C#N)c2nc(-c3ccc([N+](=O)[O-])cc3)cs2)CC1=O 1872747010 KABALVAEBRXGTA-TURIDRHPSA-N 460.515 5.121 50 10 JKGE CC(C)(C)c1csc(/C(C#N)=C(\O)c2ccc3c(c2)C(=O)N(CCc2ccccc2)C3=O)n1 1872747488 FXYISNXIIMDHNF-XDOYNYLZSA-N 457.555 5.229 50 10 JKGE CCOc1ccc(-c2csc(/C(C#N)=C(\O)[C@@H]3CC(=O)N([C@H](C)c4ccccc4)C3)n2)cc1 1872747892 YGBIIAKTPUARBR-HOXRHHTRSA-N 459.571 5.611 50 10 JKGE COc1c(Cl)cc(Cl)cc1-c1csc(/C(C#N)=C(\O)Cc2ccccc2Cl)n1 1872754161 GBWJKGGKVNOPFW-JXAWBTAJSA-N 451.762 6.814 50 10 JKGE COc1ccc(-c2csc(/C(C#N)=C(\O)COc3ccc(Cl)c(C)c3)n2)c2ccccc12 1872758506 DIDDUIPFRCSOAT-ATJXCDBQSA-N 462.958 6.805 50 10 JKGE CCOc1cc(/C=C(\C#N)c2nc(-c3ccc(OC)c(C)c3)cs2)cc(Br)c1O 1872780601 FWFXVFLGKIHZKY-LZYBPNLTSA-N 471.376 6.058 50 10 JKGE COc1ccc(-c2csc(/C(C#N)=C/c3ccc(OCc4ccccc4)c(OC)c3)n2)c(OC)c1 1872793599 JGOYKVJIHBBJIQ-FYJGNVAPSA-N 484.577 6.479 50 10 JKGE CSCC[C@H](NC(=O)OC(C)(C)C)C(=O)N/N=C/c1ccccc1OCc1ccc(Cl)cc1 1873794972 LKVVJEVEGCKBCO-WNFNFYEPSA-N 492.041 5.016 50 10 JKGE Cl[C@@H](c1ccc(OCc2ccccc2)cc1Br)c1occc1Br 1899860644 HGUUPDFMHGILBB-KRWDZBQOSA-N 456.561 6.712 50 10 JKGE CC(C)(C)OC(=O)N1CCN(C[C@@](C)(CBr)C(C)(C)C)CCN1C(=O)OC(C)(C)C 1904856016 WIIYBVYYPFGKTO-JOCHJYFZSA-N 492.499 5.139 50 10 JKGE Cc1nsc(Br)c1[C@@H](Br)c1cc(Br)c2c(c1)CCO2 1912942908 QJBQAYKWLZCXFD-NSHDSACASA-N 468.008 5.396 50 10 JKGE COc1cc(Br)ccc1C(=O)N(Cc1ccccc1)[C@@H](C)CCBr 1915083028 UCUDRGPCNBJFSL-AWEZNQCLSA-N 455.190 5.274 50 10 JKGE Brc1cccc([C@H](Br)c2sc(Br)cc2Br)c1 1922931017 YISLYBZBPXOWKK-JTQLQIEISA-N 489.852 6.520 50 10 JKGE FC1(F)[C@@H]([C@@H](Br)c2c(Br)sc(Br)c2Cl)C12CCC2 1923067633 GNDOQYVKSYAMOK-FSPLSTOPSA-N 485.413 6.798 50 10 JKGE Cc1cc([C@H](Br)c2c(Br)sc(Br)c2Cl)cs1 1923074916 UDVPOLUNWPFUBD-ZETCQYMHSA-N 465.457 6.781 50 10 JKGE Cc1c(Br)sc([C@@H](Br)[C@H](C)C2CCCCC2)c1Br 1923905728 AZEZNTAAZALXBV-KCJUWKMLSA-N 459.085 7.234 50 10 JKGE CC[C@@H]1CN(c2ccc(CBr)cc2Br)CCN1Cc1ccccc1 1946745075 UQJLPKGSSDOPFN-GOSISDBHSA-N 452.234 5.445 50 10 JKGE Cc1cc(Br)sc1[C@@H](Br)c1cccc(C)c1I 1950207460 HFHNEYAJTYAZLC-NSHDSACASA-N 486.010 6.216 50 10 JKGE O=S1(=O)CC[C@H]([C@@H](Cl)c2ccc(OCc3ccccc3)c(OCc3ccccc3)c2)C1 2016681610 DJSLRQLOXZPRNE-DHLKQENFSA-N 456.991 5.559 50 10 JKGE Brc1cc([C@@H](Br)c2ncsc2Br)cc2c1OCC2 2030027478 YRIKVWZYZXWGLD-SECBINFHSA-N 453.981 5.087 50 10 JKGE CCc1sc(Br)cc1[C@@H](Br)c1c(C)cccc1Br 2030223947 WATHCDIOICAUOD-CQSZACIVSA-N 453.037 6.628 50 10 JKGE FC(F)(F)C1CC([C@H](Br)c2cc(Br)ccc2Br)C1 2037033662 ZAEICTNPOUXJDZ-OGIFLDNPSA-N 450.918 6.236 50 10 JKGE CN(Cc1sccc1Br)c1cccc(Br)c1CBr 2039295059 QOTWWEWJYKFJHR-UHFFFAOYSA-N 454.025 5.804 50 10 JKGE CC1(C)OCCO[C@@H]1[C@@H](Br)c1c(Br)sc(Br)c1Cl 2066674163 KATKBFSMGXHZKO-POYBYMJQSA-N 483.447 5.557 50 10 JKGE Brc1cc(Br)c([C@H](Br)c2scc3c2CCCC3)s1 2066975210 IFYLRLMJLOAELT-LLVKDONJSA-N 471.077 6.698 50 10 JKGE COc1cc2c(cc1OC)[C@H](c1ccc(C(F)(F)F)cc1)N(C(=O)C(C#N)=Cc1ccccc1)CC2 2077614670 HEINVZGBWPDDIW-SANMLTNESA-N 492.497 5.804 50 10 JKGE Cc1c(Br)ccc([C@H](Br)c2ccccc2Br)c1Br 2083341276 YGODALRJYQETLO-CQSZACIVSA-N 497.850 6.767 50 10 JKGE COc1c(Br)cc(C)cc1[C@H](Cl)c1cc(I)sn1 2083460364 SMXADJQZNPKJMU-NSHDSACASA-N 458.546 5.155 50 10 JKGE COc1c(Br)cc(C)cc1[C@H](Cl)c1csc(I)c1 2083460493 UTTYQRWKYSPHPK-GFCCVEGCSA-N 457.558 5.760 50 10 JKGE Brc1ccc(I)c([C@H](Br)c2ncn3ccsc23)c1 2083987295 RVKFUGDQAABESO-JTQLQIEISA-N 497.981 5.247 50 10 JKGE Cc1sc(Br)cc1[C@@H](Br)c1c(Br)cc(F)c(F)c1F 2095697598 ZGRUAUQGFVFRRV-SNVBAGLBSA-N 478.953 6.483 50 10 JKGE ClCc1nc2cc(Br)c(Cl)cc2n1[C@H]1[C@@H]2CN(Cc3ccccc3)C[C@@H]21 2103622214 NDZWVYDVTATGAC-IKDJWVMYSA-N 451.195 5.494 50 10 JKGE CO[C@@H]1CC([C@H](Cl)c2c(Br)sc(Br)c2Cl)C[C@H]1OC 2118271419 ORKGHWVSWAVOLK-BHNWBGBOSA-N 453.023 5.646 50 10 JKGE CO[C@H]1C[C@@H]([C@H](Br)c2sc(Br)c(C)c2Br)C[C@H]1OC 2118284843 DUHHESGYYMESIN-DKIAZLNASA-N 477.056 5.458 50 10 JKGE C[C@@H](Cl)C[C@H]1CCCCCN1c1ncc(I)cc1Br 2133372173 MKXVBYUJWGYIPA-ZYHUDNBSSA-N 457.581 5.215 50 10 JKGE Cc1ccc([C@@H](Br)c2ccc(Br)c(C)c2Br)c(Cl)c1 2138850845 IMKWBQXBIDOSRF-OAHLLOKOSA-N 467.426 6.966 50 10 JKGE FC(F)(F)c1cscc1[C@H](Br)c1ccc(Br)cc1Br 2138853224 VMISFCYTLBTRJX-LLVKDONJSA-N 478.953 6.776 50 10 JKGE COc1c(Br)cc(C)cc1[C@H](Cl)c1cc(Br)sc1Br 2139016344 DQLCCQOKJCTDGW-NSHDSACASA-N 489.454 6.681 50 10 JKGE BrCc1c(Br)cccc1N1CCc2sc(Br)cc2C1 2141426180 MUTYCBFZCKLFBQ-UHFFFAOYSA-N 466.036 5.731 50 10 JKGE CC(C)[C@@H](CN(C)Cc1ccccc1)n1c(CCl)nc2cc(Br)c(Cl)cc21 2159872413 UZZXREWPKFSCOD-HXUWFJFHSA-N 469.254 6.520 50 10 JKGE O=C(NC[C@@H]1CCCC[C@@H](Br)C1)c1ccc(Br)cc1Br 2163745256 GNJJOCIKJHPZMG-GHMZBOCLSA-N 468.027 5.285 50 10 JKGE Cn1ncc(CC(CBr)(CBr)c2cccc(Br)c2)c1Cl 2168232520 WSZCFAUPDOTPFK-UHFFFAOYSA-N 485.445 5.106 50 10 JKGE COc1cc(C)c(Br)cc1[C@@H](Br)c1c(Cl)cccc1Br 2169463101 MMFAUZFFRZICJG-OAHLLOKOSA-N 483.425 6.666 50 10 JKGE O=C(NCC1(F)CCC(CBr)CC1)c1scc(Br)c1Br 2178586107 NSNAYVABFZIVDZ-UHFFFAOYSA-N 492.046 5.296 50 10 JKGE Cc1cc(Br)c(CBr)c(N2CC[C@@H]3OCCN(Cc4ccccc4)[C@@H]3C2)c1 2185517719 YMNCKJLLEGIGIC-YADHBBJMSA-N 494.271 5.132 50 10 JKGE Cc1cc(Br)c(C)c([C@@H](Br)c2ccc(F)c(F)c2)c1Br 2201070249 MXGIYLPVYCJMIA-HNNXBMFYSA-N 468.961 6.591 50 10 JKGE Cc1c(Br)ccc([C@H](Cl)c2cc3c(s2)CCSC3)c1Br 2203686470 UIMCYHQEEWQXLN-HNNXBMFYSA-N 452.664 6.699 50 10 JKGE Cc1c(Br)ccc([C@H](Br)c2ccc(C3CC3)cc2)c1Br 2203687096 WFAWZEFXEIRZDS-QGZVFWFLSA-N 459.019 6.882 50 10 JKGE Cc1c(Br)csc1[C@@H](Cl)c1ccc(Br)cc1Br 2213775259 QLURJNURVBPNAQ-NSHDSACASA-N 459.428 6.672 50 10 JKGE Cc1cc(Br)c([C@@H](Br)c2c(Cl)sc(Br)c2Cl)s1 2215947756 LSBVVQTYHCHFLZ-LURJTMIESA-N 499.902 7.434 50 10 JKGE COC[C@@H](C)OC[C@H](Cl)Cc1sc(Br)c(Br)c1Br 2222473430 SLRHTYWWLAQADH-RNFRBKRXSA-N 485.463 5.237 50 10 JKGE Brc1ccc(Br)c([C@H](Br)[C@@H]2OC[C@H]3CCCC[C@@H]32)c1 2224953854 ZAQRKJYGVHWECX-PBUVFVDJSA-N 453.012 5.853 50 10 JKGE ClCCc1nc2cc(Cl)c(Cl)cc2n1C[C@H]1CC1(Br)Br 2233041221 SOEYOAQIHSJFKB-SSDOTTSWSA-N 461.412 5.630 50 10 JKGE Clc1cc(Cl)cc(C[C@@H](Br)c2cc(C3CC3)c(Br)s2)c1 2240908655 AJTSADXJSUEWAW-CYBMUJFWSA-N 455.042 7.374 50 10 JKGE C[C@@]1(CI)CC[C@@](C)(c2cc(Br)c(Br)s2)O1 2243273373 CMQHODWYKSVXDE-QWRGUYRKSA-N 480.003 5.492 50 10 JKGE Cc1cc(F)c(Br)cc1[C@H](Cl)c1sc(Br)cc1Br 2258096299 SHSBVGAWVCGTGE-NSHDSACASA-N 477.418 6.811 50 10 JKGE FCC1([C@@H](Br)c2c(F)cc(Br)c(F)c2Br)CCC1 2260065446 JYCKBKMOBCRUEM-NSHDSACASA-N 450.918 6.066 50 10 JKGE COc1c(Br)cc(Cl)c(C)c1[C@H](Br)C1(Br)CCC1 2263541612 CEYPIUAIRXZBLU-LBPRGKRZSA-N 461.419 6.173 50 10 JKGE Fc1cc(Br)c(F)c(Br)c1[C@@H](Br)c1ccccc1Cl 2272848915 BAAKXRYZMJZMSI-NSHDSACASA-N 475.352 6.628 50 10 JKGE Fc1cccc(Br)c1C[C@H](CBr)c1cccc(Br)c1 2274023540 STIHPXBITUNYEP-LLVKDONJSA-N 450.971 6.072 50 10 JKGE O=C(c1csc(Br)c1Br)N1C[C@H](Br)C[C@@H]2CCCC[C@H]21 2279524142 SVDRMNMGUGEUGF-IQJOONFLSA-N 486.067 5.441 50 10 JKGE O=C(c1cc(Br)sc1Br)N1CCC(CBr)(C(F)F)CC1 2289941310 ILBLFUOOABIBNN-UHFFFAOYSA-N 496.009 5.156 50 10 JKGE CC12CC([C@@H](Br)Cc3cc(Br)cc(Br)c3)(C1)C(C)(C)O2 2295331884 PEIVWZYOKWZEEF-JEYLPNPQSA-N 467.039 5.865 50 10 JKGE Fc1cc(Br)ccc1C[C@@H](Cl)c1cc2sc(Br)cc2s1 2295406636 OKEUXONPFLMQAQ-SECBINFHSA-N 454.611 7.150 50 10 JKGE Cc1cc(F)c(Br)cc1[C@@H](Br)c1cc2sc(Br)cc2s1 2295411643 NXBPNEQPJMCKGT-CQSZACIVSA-N 499.062 7.420 50 10 JKGE COc1cc(OC)c([C@H](Cl)c2cc(Br)c(Cl)s2)cc1Br 2295425140 CUYCVKHKTJKIBR-LBPRGKRZSA-N 461.002 6.272 50 10 JKGE CCOc1ccc(-c2nn(-c3ccccc3)cc2C=C2C(=O)N(C3CCCC3)C(=O)C(C#N)=C2C)cc1 2296856685 FLRBFUACXOLURJ-UHFFFAOYSA-N 492.579 5.473 50 10 JKGE C[C@H](NC(=O)C(C#N)=Cc1ccc(OCc2ccccc2)c(OCc2ccccc2)c1)c1ccccc1 2297381788 SBQWUNRGKBLXGZ-DEOSSOPVSA-N 488.587 6.629 50 10 JKGE CCOc1ccc2nc(NC(=O)C(C#N)=Cc3cccn3CCOc3ccccc3OC)sc2c1 2297500400 TYHSUZJYMRDDKF-UHFFFAOYSA-N 488.569 5.130 50 10 JKGE CC1([C@@H](Br)c2cc(Br)ccc2OCc2ccccc2)CCOCC1 2299488053 CMLNEOGKHOMNNW-IBGZPJMESA-N 454.202 6.281 50 10 JKGE Cc1cc([C@@H](Cl)c2ccc(OCc3ccccc3)cc2Br)c(Br)s1 2299488213 DXHTVPJQUXOHNI-SFHVURJKSA-N 486.656 7.489 50 10 JKGE CC[C@@]1([C@@H](Br)c2cc(Br)ccc2OCc2ccccc2)CC1(F)F 2299502733 ZCBADOIZEHCXGQ-ROUUACIJSA-N 460.156 6.900 50 10 JKGE Clc1ccc(C[C@H](Br)c2sc(Cl)cc2I)cc1 2301082707 BPGWFIVGRZNULC-VIFPVBQESA-N 461.977 6.338 50 10 JKGE CCOc1cc(C=C(C#N)C(=O)Nc2ccccc2)ccc1OCc1ccc(Cl)cc1Cl 2313630372 IAWYRTIBSUIZLI-UHFFFAOYSA-N 467.352 6.517 50 10 JKGE C[C@@H]1CCC[C@@H]([C@@H](Br)c2cc(Br)ccc2OCc2ccccc2)CC1 2314455011 KXROTXYDKXYWKP-RADWXHQJSA-N 466.257 7.681 50 10 JKGE COc1ccc(-c2nn(-c3ccccc3)cc2C=C(C#N)c2nc(-c3ccc(F)cc3)cs2)cc1 2314486138 AYZVBZYHEFBYOT-UHFFFAOYSA-N 478.552 6.875 50 10 JKGE Brc1ccc(OCc2ccccc2)c([C@H](Br)C[C@H]2C[C@H]3CC[C@H]2C3)c1 2314489327 KHCJKKBECSWSKZ-LXGFNABISA-N 464.241 7.290 50 10 JKGE N#CC(=Cc1ccc(-c2c(Cl)cccc2Cl)o1)C(=O)Nc1ccc(Cl)c(Cl)c1 2314572299 XXWCKQCWWRBELH-UHFFFAOYSA-N 452.124 7.106 50 10 JKGE C[C@H]1C[C@H]2C[C@]([C@H](Cl)c3c(Br)sc(Br)c3Br)(C2)O1 2319926240 NSCKYNPKKUYSGI-DQUAYNECSA-N 479.459 6.273 50 10 JKGE Cc1nc(-c2ccc(Cl)cc2)ccc1C(=O)NNC(=O)C=Cc1ccc(OCc2ccccc2)cc1 2321059110 TUAQRXRSSLWPPM-UHFFFAOYSA-N 497.982 5.764 50 10 JKGE C[C@@H](c1ccccc1)N1C[C@H](C(O)=C(C#N)c2nc(-c3cccc([N+](=O)[O-])c3)cs2)CC1=O 2331232895 WSDNGXLMYUEDNL-MAUKXSAKSA-N 460.515 5.121 50 10 JKGE C[C@@H](c1ccccc1)N1C[C@@H](C(O)=C(C#N)c2nc(-c3cccc(Br)c3)cs2)CC1=O 2331278836 LKRSHEORUYBXJV-YJBOKZPZSA-N 494.414 5.975 50 10 JKGE COc1ccc(-c2csc(C(C#N)=C(O)[C@@H]3CC(=O)N([C@H](C)c4ccccc4)C3)n2)cc1F 2331336846 CYXZNJWUXONCKG-CRAIPNDOSA-N 463.534 5.360 50 10 JKGE CCCCCCCOc1ccc(-c2csc(C(C#N)=C(O)C=Cc3ccc(C)cc3)n2)cc1 2331345440 KUOGLWRJMMOKSO-UHFFFAOYSA-N 458.627 7.974 50 10 JKGE COc1ccccc1OCC(O)=C(C#N)c1nc(-c2cc(C(C)(C)C)ccc2OC)cs1 2331351088 QAAHISFROYIZDC-UHFFFAOYSA-N 450.560 5.996 50 10 JKGE N#CC(=C(O)CNC(=O)c1ccc(Cl)cc1Cl)c1nc(-c2ccc(Cl)s2)cs1 2331400675 IEZNTTITSYRGIM-UHFFFAOYSA-N 470.790 6.054 50 10 JKGE COc1cc(C=C(C#N)c2nc(-c3ccccc3Cl)cs2)cc(Br)c1OC(C)C 2331430579 MBRSMOCRFQOYBH-UHFFFAOYSA-N 489.822 7.086 50 10 JKGE CCOc1cc(C=C(C#N)c2nc(-c3ccccc3Cl)cs2)ccc1OCc1ccccc1 2331430722 UKWYJBHRYGISIT-UHFFFAOYSA-N 472.997 7.505 50 10 JKGE CCCOc1ccc(-c2csc(C(C#N)=Cc3ccc(OCc4ccc(C)cc4)c(OC)c3)n2)cc1 2331445321 INUSLAYGRJKECH-UHFFFAOYSA-N 496.632 7.559 50 10 JKGE COc1cc(Cl)c(C)cc1-c1csc(C(C#N)=Cc2cc(Br)ccc2F)n1 2331474167 KOOFLGLMGZGRDU-UHFFFAOYSA-N 463.759 6.746 50 10 JKGE Cc1c(Br)ccc([C@@H](Br)C[C@H]2CCC[C@@H]3C[C@H]23)c1Br 2333146531 MFUKLLSXEWCDHY-ZSEWYUTFSA-N 451.040 6.782 50 10 JKGE Clc1sc(Br)c(Cl)c1[C@@H](Br)[C@@H]1COC2(CCC2)CO1 2338784853 RMZLDGVFOKZZON-XPUUQOCRSA-N 451.007 5.592 50 10 JKGE CCC1(C)CC([C@H](Br)c2c(C)cc(Br)c(F)c2Br)C1 2339653917 NWQUXLMNILTETP-RHJSQNMRSA-N 457.019 6.921 50 10 JKGE FC1(F)CC[C@@H](Cc2ccc(Cl)cc2I)[C@H](Br)CC1 2341027605 LZFZYSYBZOGBHA-JOYOIKCWSA-N 463.531 6.076 50 10 JKGE Clc1cc(Cl)cc(CC[C@@H](Cl)c2csc(Br)c2Br)c1 2341175755 CEUDKJNKTNMDHR-LLVKDONJSA-N 463.449 7.493 50 10 JKGE O=C(c1cc(Br)c(Br)s1)N1C[C@H]2CCC[C@](CBr)(C2)C1 2357622784 NLXPKKLVTJFRLF-LKFCYVNXSA-N 486.067 5.300 50 10 JKGE CC(C)(C)OC1CC(C[C@H](Cl)c2cc(Br)ccc2OCc2ccccc2)C1 2361170306 CJVGXUAZKPMBOU-XTXLOEGASA-N 451.832 7.292 50 10 JKGE CCCOc1cccc([C@@H](Br)c2cc(Br)ccc2OCc2ccccc2)c1 2361177540 KBXFWQLNPGAMCK-HSZRJFAPSA-N 490.235 7.301 50 10 JKGE Cc1c(Br)ccc([C@@H](Br)c2cc(F)c(F)cc2F)c1Br 2361241893 IVSRPZPNKDMYDS-CQSZACIVSA-N 472.924 6.422 50 10 JKGE COc1ccc([C@H](Br)c2c(Cl)cc(Br)c(F)c2Br)cc1 2362229449 KACJLJFIQZAAJE-LBPRGKRZSA-N 487.388 6.497 50 10 JKGE C[C@]12C[C@H](C1)[C@@H]([C@@H](Br)c1c(Cl)cc(Br)c(F)c1Br)CO2 2362912199 XNMPVIBRGLULKE-PUDGGNRWSA-N 491.420 6.255 50 10 JKGE CN(Cc1c(Br)cccc1Br)c1ccc(CBr)cc1Cl 2366185285 TUBVMIUDMLXVLW-UHFFFAOYSA-N 482.441 6.396 50 10 JKGE COc1cc(OCc2ccc(I)c(Br)c2)ccc1CCl 2377291456 PDEPLHBMXNIWGE-UHFFFAOYSA-N 467.528 5.380 50 10 JKGE CC(C)CN(c1ccccc1)P(=O)(N(CC(C)C)c1ccccc1)N(CC(C)C)c1ccccc1 8397574 UBBYBOZNLPBQJX-UHFFFAOYSA-N 491.660 8.582 50 10 JKGE Cc1cc([C@H]2C(C#N)=C(N)N(c3ccc(Br)cc3C)C3=C2C(=O)CC(C)(C)C3)c(C)s1 9981499 MFJSNEJGNXYLQW-QFIPXVFZSA-N 496.474 6.377 50 10 JKGE CCCCC(=O)Nc1ccc(C(=O)NNC(=O)[C@H](CC)Oc2ccc(-c3ccccc3)cc2)cc1 14768893 ALHGMGPKRYJZAQ-VWLOTQADSA-N 473.573 5.101 50 10 JKGE Cc1ccc(CS/C(Nc2cccc(Cl)c2)=C(\C#N)S(=O)(=O)c2ccccc2)c(C)c1 20325626 AEBHMYNZEDGQNZ-WCWDXBQESA-N 469.031 6.469 50 10 JKGE O=C(NCc1ccccc1)c1ccccc1SSc1ccccc1C(=O)NCc1ccccc1 32016721 XZDBSAMHJHMDEW-UHFFFAOYSA-N 484.646 6.346 50 10 JKGE CCCSc1ccc(-c2nn(-c3ccccc3)cc2/C=C(\C#N)S(=O)(=O)c2ccccc2)cc1 35445888 CFZDMOSUQSPOFX-NLRVBDNBSA-N 485.634 6.380 50 10 JKGE Cc1ccc(N2C(=O)CS[C@H]2c2cccc(NC(=O)[C@H](Cl)c3ccccc3)c2)cc1F 35928630 VFGKFAFAJJTNDR-VWNXMTODSA-N 454.954 5.831 50 10 JKGE CCOc1ccccc1[C@H]1C(C#N)=C(N)Oc2cc(OC(=O)[C@@H](C)Oc3ccc(CC)cc3)ccc21 38650556 NLIJGMJLFZVGSB-DNOBIOAJSA-N 484.552 5.239 50 10 JKGE COc1ccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4cccc5ccccc45)ccc32)cc1OC 38658558 VQDTUGXAPDNZIQ-MHZLTWQESA-N 478.504 5.294 50 10 JKGE CCCCCOc1ccccc1[C@H]1C(C#N)=C(N)Oc2cc(OC(=O)c3cccs3)ccc21 38686079 MKEOTMWGESHICD-XMMPIXPASA-N 460.555 5.754 50 10 JKGE CCOc1ccc(NC(=S)NNC(=O)c2ccc(-c3ccc(Cl)c(C(F)(F)F)c3)o2)cc1 39892611 DXTVCSFXIPAWQK-UHFFFAOYSA-N 483.899 5.649 50 10 JKGE Cc1ccc(C(C)C)c(OC(=O)c2oc3c(c2C)/C(=N/NC(=O)c2ccccc2F)CCC3)c1 40812493 HLHVRTYYIRWQJS-XHLNEMQHSA-N 462.521 5.849 50 10 JKGE Cc1ccc(C)c(NC(=O)c2oc3c(c2C)/C(=N/NC(=O)c2cncc(Br)c2)CCC3)c1 40822989 BUSFTVMJGXEREF-MTDXEUNCSA-N 495.377 5.085 50 10 JKGE CCC(C)(C)c1ccc(OCCCC(=O)Oc2ccc(/C=C(\C#N)C(=O)OC)cc2OC)cc1 54624838 CDKNUSPTFYLFPH-CAPFRKAQSA-N 465.546 5.227 50 10 JKGE Cc1cccc(NC(=O)/C(C#N)=C/c2cccc(OCc3ccc(Br)cc3)c2)c1C 59202066 YVHUYQHYVZQFBP-FYJGNVAPSA-N 461.359 6.191 50 10 JKGE CCOc1ccc(NC(=O)/C(C#N)=C\c2cc(Br)ccc2OCc2ccc(C)cc2)cc1 59297065 WQQOAIVAZVZLBJ-STZFKDTASA-N 491.385 6.281 50 10 JKGE O=C(N/N=C(/CSc1nc2ccccc2o1)c1ccc2ccccc2c1)c1cccc([N+](=O)[O-])c1 59460591 FXOOVGWCTAKVMN-NFFVHWSESA-N 482.521 5.816 50 10 JKGE CC1=C(C#N)C(=O)N(CCc2ccccc2)C(=O)/C1=C/c1ccc(-c2ccc(Cl)c(Cl)c2)o1 101338202 RGWMVSVHBGPVCS-XSFVSMFZSA-N 477.347 6.088 50 10 JKGE COc1ccc([C@@H](Br)c2cc(Br)ccc2F)c(Br)c1 104043825 WNLYIPZRENHMMI-CQSZACIVSA-N 452.943 5.844 50 10 JKGE Cc1nnc(CCl)n1-c1sc(Br)cc1[C@H](Br)c1ccccc1Cl 111881694 WSPXLMNFAZLDLW-CQSZACIVSA-N 496.055 6.276 50 10 JKGE CCOc1ccc([C@H](Br)c2ccc(F)cc2Br)c(Br)c1 123740485 AVTVIQWQBYRMBB-OAHLLOKOSA-N 466.970 6.234 50 10 JKGE COc1cc(/C=C(/C#N)C(=O)Nc2cc(C(F)(F)F)cc(C(F)(F)F)c2)cc(OC)c1OC 209395530 BKRYBOLNWPJWKS-QCDXTXTGSA-N 474.357 5.296 50 10 JKGE Cc1ccc2nc(-c3ccc(N/C=C(/C#N)C(=O)Nc4cccc(Cl)c4C)cc3)sc2c1 217094686 XOPMUPQVSNJEIA-JXAWBTAJSA-N 458.974 6.692 50 10 JKGE CC(CC(=O)Nc1ccc(OCc2ccccc2)cc1)=NNC(=O)c1cc2ccccc2cc1O 254307814 IHHJWERUGUZNDE-UHFFFAOYSA-N 467.525 5.259 50 10 JKGE Cc1cccc([C@H](Br)Cc2ccc(Cl)c(Cl)c2)c1I 300471392 HVRMXOCXZFCHEC-GFCCVEGCSA-N 469.975 6.585 50 10 JKGE Cl[C@H](c1cc(Br)c(Br)s1)c1cc2c(cc1Br)OCC2 308419043 SZFMYGYSFNXNRD-LBPRGKRZSA-N 487.438 6.299 50 10 JKGE Cc1cc([C@@H](Br)c2cccc(OCc3ccccc3)c2)c(C)cc1Br 311194396 FRQWBXYGPQBLFA-QFIPXVFZSA-N 460.209 7.129 50 10 JKGE Cn1ncc([C@@H](Br)Cc2ccc(Cl)c(Cl)c2)c1I 379196583 FZZILMNOYZXBHI-VIFPVBQESA-N 459.940 5.010 50 10 JKGE Fc1cc(Br)c([C@H](Br)c2cccc(F)c2Br)c(F)c1F 398734243 NQLAUNNPTYXXMB-LLVKDONJSA-N 476.887 6.252 50 10 JKGE CC(C)(C)OC(=O)Nc1cccc([C@@H]2CCOCCN2CCO[Si](C)(C)C(C)(C)C)c1 616597256 GNAZRYDAZRSXOU-NRFANRHFSA-N 450.696 5.819 50 10 JKGE CC(C)(C)[Si](C)(C)OCCc1ccc([C@H]2CCc3ccccc3N2Cc2ccccc2)cc1 616668157 RTXWAFKQERZCNE-GDLZYMKVSA-N 457.734 7.945 50 10 JKGE C[C@H](Cl)c1nc2ccc(F)c(Br)c2n1[C@@H]1CCN(Cc2ccccc2)[C@H]1C 689773290 GAHSEYQGVGWISV-SUNYJGFJSA-N 450.783 6.073 50 10 JKGE C[C@H](Cl)c1nc2ccc(F)c(Br)c2n1C[C@H]1CCN(Cc2ccccc2)C1 689775967 SYZCKSQOQGETMP-HOCLYGCPSA-N 450.783 5.760 50 10 JKGE Cc1cccc([C@@H](Cl)c2ccc(F)c(Br)c2F)c1I 691539475 JPGFCDRKZHMFPZ-LBPRGKRZSA-N 457.483 5.969 50 10 JKGE Cc1cc(C=NNC(=O)c2ccc(Cl)cc2)c(C)n1-c1ccc(I)cc1 1083931640 YASGPBVXQSPQPO-UHFFFAOYSA-N 477.733 5.116 50 10 JKGE Cc1ccc(NC(=O)/C(C#N)=C\c2ccccc2OCc2ccc(Cl)c(Cl)c2)c(C)c1 1084229782 OTWBUNAXRFXZIX-MOSHPQCFSA-N 451.353 6.735 50 10 JKGE N#C/C(=C/c1ccccc1OCc1ccc(Cl)cc1Cl)C(=O)Nc1ccc(Cl)c(Cl)c1 1084583733 JOJJFZWOZWWANY-SXGWCWSVSA-N 492.189 7.425 50 10 JKGE Cc1cccc(Cn2cc(/C=C(\C#N)C(=O)Nc3cccc(Cl)c3Cl)c3ccccc32)c1 1084647733 OZJRRBUTKZRTLY-CPNJWEJPSA-N 460.364 6.851 50 10 JKGE CC(C)(C)OC(=O)N1C[C@@H](CI)[C@@H](c2cccc(C(F)(F)F)c2)C1 1614810047 KJBWSYLJFLCNQP-TZMCWYRMSA-N 455.258 5.091 50 10 JKGE CCc1ccc(OCC(=O)NN=Cc2cc(Br)c(OCc3ccccc3)c(OC)c2)cc1 1772753989 KTGOGDKVIKIYAM-UHFFFAOYSA-N 497.389 5.128 50 10 JKGE O=C(N/N=C1\C(=O)N(Cc2ccccc2Cl)c2ccccc21)c1ccccc1C(F)(F)F 1860822437 DTYRSHZACFRKKF-RRAHZORUSA-N 457.839 5.040 50 10 JKGE CCc1nn(-c2ccc(Br)cc2)c2c1[C@H](c1ccc(C(C)(C)C)cc1)C(C#N)=C(N)O2 1865682595 SAYFDONTZYQEMP-OAQYLSRUSA-N 477.406 5.713 50 10 JKGE CCc1nn(Cc2ccc(Cl)c(Cl)c2)c2c1[C@@H](c1cc(OC)ccc1OC)C(C#N)=C(N)O2 1865691814 BRQUVXRVULXBFN-NRFANRHFSA-N 485.371 5.036 50 10 JKGE Cc1ccc(COc2ccc([C@H]3C(C#N)=C(N)Oc4c3c(-c3ccccc3)nn4CC(C)C)cc2)cc1 1865692781 IDPKKYJMFONIRF-MHZLTWQESA-N 490.607 6.312 50 10 JKGE CCCOc1ccccc1[C@H]1C(C#N)=C(N)Oc2c1c(CCC)nn2Cc1c(F)cccc1Cl 1865703669 YQRZBWHWKUNZHS-QHCPKHFHSA-N 480.971 5.683 50 10 JKGE CCCc1nn(Cc2ccc(Cl)c(Cl)c2)c2c1[C@H](c1ccc(OC)c(OC)c1)C(C#N)=C(N)O2 1865706732 DMJPHKKMJLYFIO-JOCHJYFZSA-N 499.398 5.426 50 10 JKGE COc1cccc([C@@H]2C(C#N)=C(N)Oc3c2c(-c2ccccc2)nn3-c2cccc(Cl)c2)c1 1865711602 CHSZSAFRMMEYCL-JOCHJYFZSA-N 454.917 5.419 50 10 JKGE CCCN(CCCN(C)C)c1cc(Nc2ccc(SC#N)cc2)nc(Cc2ccccc2)n1 1868207180 IRYGEGATLIEUBI-UHFFFAOYSA-N 460.651 5.552 50 10 JKGE C[C@H]1COC[C@@H](C)N1c1cc(Nc2ccc(SC#N)cc2)nc(-c2ccc(C(C)(C)C)cc2)n1 1868544685 JBKHAVPXGGRCBZ-KDURUIRLSA-N 473.646 6.371 50 10 JKGE CCc1cccc(C)c1N1C[C@@H](/C(O)=C(\C#N)c2nc(-c3ccc([N+](=O)[O-])cc3)cs2)CC1=O 1872747240 UEQFSYMUPOFLSV-FCFMXISVSA-N 474.542 5.435 50 10 JKGE Cc1ccc(S(=O)(=O)NC/C(O)=C(\C#N)c2nc(-c3cccc4ccccc34)cs2)cc1 1872752232 SJUUFAZTFFICER-LNVKXUELSA-N 461.568 5.043 50 10 JKGE CCCOc1c(/C=C(\C#N)c2nc(-c3cc(Cl)cc(Cl)c3OC)cs2)cccc1OC 1872792491 BPRIIPRGQRRPAS-OQLLNIDSSA-N 475.397 6.987 50 10 JKGE CC[C@H](C)[C@H](NC(=O)OC(C)(C)C)C(=O)N/N=C/c1ccc(OCc2cccc(Cl)c2)cc1 1873793486 MQLFJFSLBAICDE-HUQXMHCUSA-N 474.001 5.309 50 10 JKGE CC[C@H](Br)CN(Cc1ccccc1)Cc1sccc1I 1888198746 QQKHAQRLAOPGHJ-AWEZNQCLSA-N 464.210 5.528 50 10 JKGE Brc1ccc(C[C@@H]2CCCCCCCC[C@@H]2Br)c(Br)c1 1913418023 ZMIINTLEKBAUKZ-BBRMVZONSA-N 467.083 7.268 50 10 JKGE Cc1cc(Br)c(C(=O)N(Cc2ccccc2)[C@H](C)CCBr)cc1Cl 1915079793 GGVXWRQAOJNTLI-CQSZACIVSA-N 473.636 6.227 50 10 JKGE Fc1cc(Br)ccc1C[C@H](Cl)c1sc(Br)cc1Br 1922898545 WGPQCVCGOWVPBR-VIFPVBQESA-N 477.418 6.697 50 10 JKGE Brc1cc(Br)c([C@@H](Br)[C@@H]2CCc3ccccc3C2)s1 1922953306 BQEQUBAFZUQNCQ-RISCZKNCSA-N 465.048 6.514 50 10 JKGE FC(F)(F)C([C@H](Cl)c1c(Br)sc(Br)c1Cl)C(F)(F)F 1923066620 RWEKBTIVDPFSOC-UWTATZPHSA-N 474.873 6.947 50 10 JKGE FC(F)CC1([C@H](Br)c2c(Br)sc(Br)c2Cl)CCC1 1923073732 ZZQLFTYFRZHCKL-MRVPVSSYSA-N 487.429 7.188 50 10 JKGE C[C@H](c1ccncc1Br)[C@@H](Br)c1ccc(OCc2ccccc2)cc1 1924043424 LKCBVALCSZINOW-QVKFZJNVSA-N 461.197 6.663 50 10 JKGE Cl[C@H](c1c(Br)sc(Br)c1Br)C1[C@@H]2COC[C@@H]12 1924605033 LLIFLAWZLMWJHL-ZFSUVSKUSA-N 451.405 5.208 50 10 JKGE Brc1sc(Br)c([C@@H](Br)CCC2CC2)c1Br 1924605780 WZHXNRQDUAMEKQ-LURJTMIESA-N 481.873 6.662 50 10 JKGE CC1(C)CC(C[C@@H](Br)c2c(Br)sc(Br)c2Cl)C1 1949734019 NCCODSKMCWJOEM-SSDOTTSWSA-N 465.476 7.189 50 10 JKGE C[C@]1(C(F)(F)F)C[C@H]1[C@H](Br)c1sc(Br)cc1Br 1998670055 RWIQLYAKGNHXRR-IKTTWNKZSA-N 456.947 6.298 50 10 JKGE CO[C@@H]1CC[C@@H]([C@@H](Cl)c2c(Br)sc(Br)c2Br)C1 2006341258 RQQDKRNKHDTFRD-HCVRKRLWSA-N 467.448 6.131 50 10 JKGE CCN(C[C@](C)(CI)OCC(CC)(CC)CC)C(=O)OC(C)(C)C 2011172771 LKAHZJOJIMYOFV-SFHVURJKSA-N 455.421 5.670 50 10 JKGE CC[C@@H](C)[C@@H](CI)NCc1ccc(Br)cc1Br 2023044883 VCXOYASZDUPGJE-NOZJJQNGSA-N 475.006 5.151 50 10 JKGE CC(=O)N(c1nc(C=CC(=O)c2ccc(O)c(CCCl)c2)cs1)c1cccc(C)c1C 2042451639 OYROCUJRDMDZHQ-UHFFFAOYSA-N 454.979 5.828 50 10 JKGE O=C(NC[C@H]1CCCN(CC2(CBr)CCCCCC2)C1)OCc1ccccc1 2044696649 NGSQIJKMLYPTEF-OAQYLSRUSA-N 451.449 5.360 50 10 JKGE Cl[C@@H](c1c(Br)sc(Br)c1Br)C1CC(CC2CC2)C1 2050215083 HDHVCJKGUUNLMN-OIAXGBPSSA-N 477.487 7.142 50 10 JKGE C[C@@]1([C@H](Br)c2cc(Br)c(Br)s2)CCCC(F)(F)C1 2068383532 IOXXVYLRSVLEDC-MWLCHTKSSA-N 467.011 6.925 50 10 JKGE Cc1nn(C)c([C@@H](Br)c2c(Cl)sc(Cl)c2Cl)c1Br 2072302124 HHXDWTBGOSUWAK-LURJTMIESA-N 453.414 5.997 50 10 JKGE CCc1nn(C)c([C@@H](Br)c2sc(Br)cc2C)c1Br 2072304659 NKJUSSPJTLWLSV-SNVBAGLBSA-N 457.029 5.362 50 10 JKGE Cc1ccc(C(F)(F)F)cc1Cn1nc(CCl)c(I)c1C(F)(F)F 2079212105 JXHKZQLYUOYWRS-UHFFFAOYSA-N 482.593 5.621 50 10 JKGE COc1c(C)cc(Br)cc1[C@H](Br)c1ncsc1Br 2085628246 OIXLHVNTEDQDEZ-VIFPVBQESA-N 455.997 5.469 50 10 JKGE Fc1ccc(F)c([C@H](Br)c2ccc(Br)cc2I)c1 2086150116 WVHDPYHFKLQHMF-CYBMUJFWSA-N 487.907 5.816 50 10 JKGE COc1cc(Br)c(C)cc1[C@@H](Br)c1cc(C)c(Br)s1 2089726030 SOYYGBULKMKLSM-CYBMUJFWSA-N 469.036 6.383 50 10 JKGE CCC(CC)N(CCBr)C(=O)c1cccc(Br)c1Br 2092340433 QBZSNDIFTBFFKG-UHFFFAOYSA-N 456.016 5.237 50 10 JKGE Brc1cccc(CN2[C@H]3CCC[C@H](Br)[C@H]2CC3)c1Br 2097812951 SYYHRPOEHZTBEB-SGMGOOAPSA-N 452.028 5.492 50 10 JKGE COc1ccc([C@@H](Br)c2cscc2OCc2ccccc2)c(OC)c1Cl 2100094745 ZDUALKXRYNUKBX-GOSISDBHSA-N 453.785 6.482 50 10 JKGE CC1(C)CCC[C@H]([C@H](Br)c2cc(Br)ccc2Br)CC1 2100847480 FNMRBXAWLHZVTI-NHYWBVRUSA-N 453.056 7.254 50 10 JKGE ClCCc1nc2cc(Br)c(Cl)cc2n1C1CC(OCc2ccccc2)C1 2103624701 RAFJIVBQMNBDFK-UHFFFAOYSA-N 454.195 6.154 50 10 JKGE Cc1nn(C)c2sc([C@H](Br)c3cc(Br)sc3Br)cc12 2118609786 BLTPZNLDMUEGAH-SNVBAGLBSA-N 485.064 6.014 50 10 JKGE Brc1ccc(C[C@@H]2C[C@H](Br)CC3(CCC3)C2)c(Br)c1 2127178021 OPXPOFZUTKBXRT-RISCZKNCSA-N 451.040 6.488 50 10 JKGE Fc1cc(Br)c([C@@H](Cl)c2ccc(I)cc2)c(F)c1Cl 2136967556 VSWQNQBJDRDFRU-NSHDSACASA-N 477.901 6.314 50 10 JKGE COc1c(Cl)cc(Br)cc1[C@H](Br)c1nc(C)sc1Br 2138239384 PZMFWRQIUUNTBT-VIFPVBQESA-N 490.442 6.123 50 10 JKGE Cc1c(Br)ccc([C@H](Br)[C@@H]2C[C@H]3[C@@H](C2)C3(C)C)c1Br 2138862003 IEGACDDTOKZKCQ-JDTTZNEISA-N 451.040 6.638 50 10 JKGE Fc1cc2c(cc1I)nc(CCl)n2[C@H]1CCCCN(Cc2ccccc2)C1 2158572627 MMVIMJBLIDOBJR-INIZCTEOSA-N 497.783 5.746 50 10 JKGE Cc1cc(Br)c([C@H](Br)c2cc(F)c(F)cc2Cl)cc1Br 2168659013 GTYKVEFVNMIOLW-AWEZNQCLSA-N 489.379 6.936 50 10 JKGE CCc1nc([C@@H](Br)c2cc(Cl)c(Cl)c(Cl)c2Cl)c(Br)s1 2169491410 VMMJQRIHQJOJHS-ZETCQYMHSA-N 498.882 7.566 50 10 JKGE CC(C)[C@H](CCl)N(Cc1ccccc1)C(=O)c1cc(Br)cc(C(F)(F)F)c1 2172408678 PWLZYJFGHLVPBU-SFHVURJKSA-N 462.737 6.374 50 10 JKGE C[C@@H](Cl)c1nc2ncccc2n1-c1ccc(I)cc1Br 2175997725 MLPPQMAELHMRQP-MRVPVSSYSA-N 462.516 5.087 50 10 JKGE O=S(=O)(c1ccc(Cl)c(CBr)c1Cl)N(Cc1ccccc1)C1CCCCC1 2179830334 KEYAWTHHFGQWMT-UHFFFAOYSA-N 491.278 6.412 50 10 JKGE CN(C)CCCN(Cc1ccccc1)S(=O)(=O)c1cc(CBr)c(Cl)cc1Cl 2179831566 YMCSVOUQVFPCSN-UHFFFAOYSA-N 494.282 5.031 50 10 JKGE COc1cc(C)c([C@H](Br)c2ccc(Br)cc2F)cc1Br 2198738283 YUOMTOFLZSJDEA-OAHLLOKOSA-N 466.970 6.152 50 10 JKGE FC1(F)CCC[C@H](O[C@H](CI)c2ccc(Br)cc2)CC1 2207037006 GOVMPOAURUIHTH-UONOGXRCSA-N 459.112 5.910 50 10 JKGE Brc1sc([C@H]2CCCC[C@@H](Br)C2)c(Br)c1Br 2212189339 KBNXDQMRSNZRIA-NKWVEPMBSA-N 495.900 6.847 50 10 JKGE Cc1c(Br)sc([C@@H](Br)c2c(Cl)cccc2Br)c1C 2218785277 NWPJHBRPKAIZET-NSHDSACASA-N 473.455 7.028 50 10 JKGE CC1(CO[C@@]2(CI)CCCN(C(=O)OC(C)(C)C)C2)CC2(CCC2)C1 2220952853 ZDYZNIVFNLMPID-HXUWFJFHSA-N 463.400 5.178 50 10 JKGE Cc1csc([C@H](Br)Cc2ccc(Br)cc2Cl)c1Br 2221695316 MSBMYMVDFVKUAO-SNVBAGLBSA-N 473.455 6.914 50 10 JKGE FC(F)(F)[C@@H]1CCO[C@H]1[C@H](Br)c1cc(Br)c(Br)s1 2223756861 IUMXDPMWXXEIDL-FOPMIJGASA-N 472.946 5.677 50 10 JKGE FC1(F)[C@H]([C@@H](Br)c2c(Br)cc(Cl)c(Cl)c2Cl)C12CC2 2224325384 XVNGBFFIUQSRLZ-OIBJUYFYSA-N 455.351 6.891 50 10 JKGE Cc1ccc(I)c([C@@H](Br)c2cc(C)c(Br)cc2C)c1 2232219259 DKKBTMUBXYJBLN-INIZCTEOSA-N 494.008 6.463 50 10 JKGE CCc1occ(C)c1[C@H](Br)c1c(Br)cc(C)c(Br)c1C 2235620561 XQHUEXARHAXKON-INIZCTEOSA-N 465.023 6.777 50 10 JKGE Cc1c(Br)cccc1[C@@H](Br)c1ccc2c(c1Br)CCO2 2238077515 USKZEIASBCCLFT-OAHLLOKOSA-N 460.991 5.939 50 10 JKGE Cc1ccc(I)c([C@H](Cl)c2cc(Br)c3c(c2)CCO3)c1 2240998784 ZLFQOTIWNJDHKB-OAHLLOKOSA-N 463.540 5.625 50 10 JKGE Cc1sc(Br)cc1[C@@H](Br)c1c(F)cccc1I 2247988627 XOGGYODZDXWONN-GFCCVEGCSA-N 489.973 6.047 50 10 JKGE Cc1cc([C@@H](Br)c2sc(C)c(C)c2Br)cc(C)c1Br 2264425995 XIMTWNCKKSMIQD-CQSZACIVSA-N 467.064 6.991 50 10 JKGE CCc1sc(Br)cc1[C@H](Br)c1cc(Br)c(F)cc1C 2270453584 QGZOKCONRCKIGX-CQSZACIVSA-N 471.027 6.767 50 10 JKGE C[C@@H]1CC[C@@H](C[C@@H](Br)c2c(F)cc(Br)c(F)c2Br)O1 2272724233 OBCOAUGQKDXRKX-GJMOJQLCSA-N 462.954 5.883 50 10 JKGE CC(C)(C)CCN(CCBr)Cc1ccc(I)c(Cl)c1 2274238860 SSBCMCFKHYCMNX-UHFFFAOYSA-N 458.609 5.578 50 10 JKGE FC1(F)CC[C@@H]([C@H](Br)c2c(Br)cc(Cl)c(Cl)c2Cl)C1 2277734105 KAAAUIYREZKFFH-ANLVUFKYSA-N 457.367 7.281 50 10 JKGE Cc1c(Br)cccc1CO[C@@H](CBr)c1ccccc1Br 2283653198 DDTGRQZEOXDHRV-INIZCTEOSA-N 463.007 6.173 50 10 JKGE Fc1cc(Br)c(F)c(Br)c1[C@@H](Br)C[C@H]1CCCC1(F)F 2288360191 UYNGOKDILITKFF-RQJHMYQMSA-N 482.935 6.751 50 10 JKGE FC[C@@]12CC[C@@]([C@@H](Br)c3cc(Br)c(Br)cc3F)(CO1)C2 2290449833 VXBWGNGHFDCMPG-IHRRRGAJSA-N 474.965 5.696 50 10 JKGE COc1ccccc1C=CC=NNC(=O)CSc1nnc(SCc2ccc(Cl)cc2)s1 2293701478 GYAGVHVOBVRJHP-UHFFFAOYSA-N 491.063 5.400 50 10 JKGE CCOC(=O)c1c(NC(=O)C(C#N)=Cc2ccc(-c3cccc([N+](=O)[O-])c3)o2)sc(C)c1C 2294818815 RVSALDQVZKRMBC-UHFFFAOYSA-N 465.487 5.256 50 10 JKGE CC(C)CCOc1ccc(-c2nn(-c3ccccc3)cc2C=C(C#N)C(=O)NC[C@@H]2CCCO2)cc1 2296539384 SKJBBFNOQZMMIH-MHZLTWQESA-N 484.600 5.166 50 10 JKGE CC(C)Oc1ccc(-c2nn(-c3ccccc3)cc2C=C(C#N)c2nc3ccccc3n2C)cc1 2296540212 AELGOQUCCRXEEQ-UHFFFAOYSA-N 459.553 6.277 50 10 JKGE CCOC(=O)c1c(-c2ccccc2)csc1NC(=O)C(C#N)=Cc1ccc(N(CC)CC)cc1 2296833359 ZUEJCDDBHSNXDR-UHFFFAOYSA-N 473.598 5.984 50 10 JKGE COc1ccc(C=C(C#N)C(=O)Nc2cccc3ccccc23)cc1COc1ccc([N+](=O)[O-])c(C)c1 2297616743 NBRNGNNDWIRVDD-UHFFFAOYSA-N 493.519 6.190 50 10 JKGE F[C@@H]1CCC[C@@H]([C@H](Br)c2ccc(OCc3ccccc3)cc2Br)C1 2299535368 OBZZXACIXPGYRX-QINHECLXSA-N 456.193 6.992 50 10 JKGE N#CC(=Cc1cccc(OCc2cccc(Cl)c2)c1)C(=O)Nc1ccc(Cl)c(Cl)c1 2313631108 KVLBODXEDDQDAS-UHFFFAOYSA-N 457.744 6.771 50 10 JKGE Fc1ccccc1C[C@@H](Br)c1ccc(OCc2ccccc2)cc1Br 2314448196 FWTAPICIYYZJHA-LJQANCHMSA-N 464.172 6.846 50 10 JKGE Cc1ccc(-c2nn(-c3ccccc3)cc2C=C(C#N)S(=O)(=O)c2ccc(C)c(C)c2)cc1 2314522745 WITNMKLJAJJSOA-UHFFFAOYSA-N 453.567 5.803 50 10 JKGE Cc1ccc(NC(=O)C(C#N)=C2S[C@@H](Cc3ccccc3C)C(=O)N2c2ccc(C(C)C)cc2)cc1 2314592165 MVJURUIQNVBIIL-MHZLTWQESA-N 495.648 6.492 50 10 JKGE CCCCOc1ccccc1[C@@H]1C(C#N)=C(N)Oc2cc(OC(=O)C=Cc3ccc(OC)cc3)ccc21 2314634794 LUULDDJEPQJEHY-LJAQVGFWSA-N 496.563 5.711 50 10 JKGE O=C(C=Cc1ccccc1)NN=C1C(=O)N(Cc2ccccc2Cl)c2ccc(Br)cc21 2314717692 MKDOHVKCFPRKAI-UHFFFAOYSA-N 494.776 5.183 50 10 JKGE Clc1nc(OCc2c(Br)cccc2Br)sc1CBr 2318231661 YGJNIIHLDOXUEI-UHFFFAOYSA-N 476.415 5.795 50 10 JKGE Clc1c(Br)sc(Br)c1[C@H](Br)C[C@H]1CC[C@@H]1C1CC1 2319585219 CENLCRNXZBHVNM-IWSPIJDZSA-N 477.487 7.189 50 10 JKGE O=C(NN=Cc1ccc(OCc2ccccc2Cl)cc1)c1ccc2[nH]c3c(c2c1)CCCC3 2321672236 QWHDOSIAZOFWDW-UHFFFAOYSA-N 457.961 6.043 50 10 JKGE COc1ccc([C@H](C)NC(=O)C(C#N)=CNc2ccc(-c3nc4ccc(C)cc4s3)cc2)cc1 2325068188 JTZKYPVHTDOSHN-SFHVURJKSA-N 468.582 5.977 50 10 JKGE CCOC(=O)c1c(-c2ccc(C)cc2C)csc1NC(=O)C(C#N)=Cc1ccc(OC)c(OC)c1 2329703185 UULWYUMNWGQBCX-UHFFFAOYSA-N 490.581 5.772 50 10 JKGE COc1ccc(-c2csc(C(C#N)=C(O)CCCOc3cc(C)c(Cl)c(C)c3)n2)cc1 2331273381 KMSURPYQSTWNKW-UHFFFAOYSA-N 454.979 6.741 50 10 JKGE CCOc1ccc(-c2csc(C(C#N)=C(O)CNC(=O)c3ccc(Cl)cc3Cl)n2)cc1 2331305207 CXFYCQUHKQLAQN-UHFFFAOYSA-N 474.369 5.738 50 10 JKGE COc1cc(C)c(-c2csc(C(C#N)=C(O)c3cccc(OCC(C)C)c3)n2)cc1C(C)C 2331356087 LSMKOPPVLWGICJ-UHFFFAOYSA-N 462.615 7.235 50 10 JKGE COc1cc(OC)c(-c2csc(C(C#N)=C(O)COc3cccc(C)c3C)n2)cc1Cl 2331378679 OZTRGUSXRJLAQJ-UHFFFAOYSA-N 456.951 5.969 50 10 JKGE COc1ccc(OCCCC(O)=C(C#N)c2nc(-c3cc(C)c(Cl)cc3OC)cs2)cc1 2331390278 UTWSYYHPORPKDJ-UHFFFAOYSA-N 470.978 6.441 50 10 JKGE Cc1ccc(C(C)(C)C)cc1-c1csc(C(C#N)=C(O)CCCN2C(=O)c3ccccc3C2=O)n1 2331396253 CTUIPADKPAXSMT-UHFFFAOYSA-N 485.609 6.285 50 10 JKGE COc1cc(C)c(-c2csc(C(C#N)=C(O)C=Cc3ccc(Cl)c(Cl)c3)n2)cc1C 2331402766 OGFFPMAJPZDISX-UHFFFAOYSA-N 457.382 7.248 50 10 JKGE Cc1cc(C)c(C)c(-c2csc(C(C#N)=Cc3ccc(OCc4ccc(Cl)cc4)cc3)n2)c1C 2331468547 XFDFIFFUDOMYIK-UHFFFAOYSA-N 485.052 8.340 50 10 JKGE COc1ccc(-c2csc(C(C#N)=Cc3ccc(OCc4ccc(C)cc4)cc3)n2)c(OC)c1 2331473053 CSMKTWWDAHSKSF-UHFFFAOYSA-N 468.578 6.779 50 10 JKGE CC(C)=CCCC(C)=CC[C@H](O)C(C)=CCC[C@]1(C)[C@@H](CCCO)C(=C(C)C=O)CC[C@@]1(C)O 2333253933 KVTCHSWVSFQOTP-VZNYXHRGSA-N 474.726 6.612 50 10 JKGE FC(F)(F)c1cc([C@@H](Cl)c2cc(Br)ccc2OCc2ccccc2)cs1 2336054353 RFVICTPQPUZPRS-GOSISDBHSA-N 461.730 7.437 50 10 JKGE Cn1cnc(Br)c1[C@H](Br)c1csc2c(Br)cccc12 2337329267 AEMCHUOLNQOCEV-SNVBAGLBSA-N 465.008 5.644 50 10 JKGE CCCc1sc(Br)cc1[C@H](Br)c1sc(C)c(Br)c1C 2338031917 QMMVDVXHTYCHSY-ZDUSSCGKSA-N 487.120 7.388 50 10 JKGE COc1c(Br)cc(C)c([C@H](Cl)c2nscc2Br)c1Br 2339638837 FSDGJIVDBAHTSO-JTQLQIEISA-N 490.442 6.076 50 10 JKGE CC(C)(CI)CN1CC[C@@H](CCNC(=O)OC(C)(C)C)C[C@H]1C(F)(F)F 2351634682 ZBLCOAAOCAKSNJ-KGLIPLIRSA-N 492.364 5.005 50 10 JKGE COc1cc(Br)c(OC[C@H](CBr)CC(C)C)cc1Br 2353853334 ZLJLVJVUJDVYQN-JTQLQIEISA-N 459.016 5.656 50 10 JKGE Fc1cc(Cl)c(Br)c(Cl)c1[C@@H](Br)Cc1ccccc1Cl 2360424729 VXWRKDXCSUEHJY-QMMMGPOBSA-N 461.383 7.227 50 10 JKGE COc1cc(OC)cc([C@@H](Br)c2cc(Br)ccc2OCc2ccccc2)c1 2361178571 OXPFJCJZBDXRSF-JOCHJYFZSA-N 492.207 6.530 50 10 JKGE O=C(c1cc(Br)c(Br)s1)N1CC[C@@H](Br)C[C@@H]1C(F)(F)F 2361452208 IMXGJANHYYDCCS-SVGQVSJJSA-N 499.972 5.204 50 10 JKGE Fc1c(Br)cc(Cl)c([C@@H](Cl)[C@]23COC[C@H]2C3(F)F)c1Br 2362232650 QILORDZLFGVMRZ-PFZYVWIYSA-N 454.895 5.566 50 10 JKGE CC1(C)OCCO[C@H]1[C@H](Br)c1c(Cl)cc(Br)c(F)c1Br 2362233337 ZGXPCPZAJCZZHH-PWSUYJOCSA-N 495.408 5.634 50 10 JKGE F[C@]12CCC[C@@]1(CBr)CN(Cc1ccc(Cl)c(I)c1)C2 2362370494 IEAGPSNBRYCPBR-CABCVRRESA-N 472.567 5.034 50 10 JKGE Cc1cc(Br)c(F)c(Br)c1[C@@H](Br)c1cc(F)ccc1Cl 2365186953 WATCNGLESQEORG-LBPRGKRZSA-N 489.379 6.936 50 10 JKGE Cc1c(Br)sc([C@@H](Cl)CCc2cc(Cl)cc(Cl)c2)c1Br 2366795241 MEDZELWOJJIEAU-NSHDSACASA-N 477.476 7.801 50 10 JKGE CC(C)(C)OC(=O)N[C@@H]1CCN(C[C@@](C)(CBr)C(C)(C)C)[C@H](C(F)(F)F)C1 2380160743 OBSZGRMODBGHII-QWQRMKEZSA-N 459.391 5.354 50 10 JKGE CCn1c2ccccc2c2cc(/C=N/NC(=O)COc3ccc(Br)cc3Cl)ccc21 13977842 HGGIGALYUJEPNM-LGJNPRDNSA-N 484.781 5.759 50 10 JKGE CC[C@H](Oc1ccc(-c2ccccc2)cc1)C(=O)NNC(=O)c1ccccc1OCc1ccccc1 14768963 LPNNFRMFKPFFQN-MHZLTWQESA-N 480.564 5.551 50 10 JKGE COc1ccc(-n2c(C)cc(/C=C(\C#N)C(=O)NCc3cccc(NC(=O)c4ccco4)c3)c2C)cc1 33102956 DUWZNXDXGDWOPW-XQNSMLJCSA-N 494.551 5.171 50 10 JKGE CCCN1C(=O)C(C#N)=C(C)/C(=C\c2cn(-c3ccccc3)nc2-c2ccc(OCC)cc2C)C1=O 38603396 HWSYRIWQPSVJNG-PCLIKHOPSA-N 480.568 5.249 50 10 JKGE CCCCN1C(=O)C(C#N)=C(C)/C(=C\c2ccc(OCc3ccccc3F)c(OCC)c2)C1=O 38603742 MXSSGRCLGGKDDL-KGENOOAVSA-N 462.521 5.196 50 10 JKGE CCOc1ccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4cccc(Cl)c4)ccc32)cc1OC 38659642 FBSJHQURWPXJCE-DEOSSOPVSA-N 476.916 5.185 50 10 JKGE COc1ccc(OC)c([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4ccc(Cl)cc4Cl)ccc32)c1 38659771 WRGSOLSQRRGJMT-HSZRJFAPSA-N 497.334 5.448 50 10 JKGE CCOc1cc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4ccccc4)ccc32)ccc1OCCC(C)C 38684327 IEHPLDDRBZWOTP-NDEPHWFRSA-N 498.579 5.948 50 10 JKGE CCCCOc1ccc(C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@H]3c2cccc(OCCC)c2)cc1 38684435 NPVJMPOGSIZRGE-NDEPHWFRSA-N 498.579 6.092 50 10 JKGE Cc1ccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4sc5cc(Cl)ccc5c4Cl)ccc32)o1 38688662 JUWDTRZFOIKSLK-FQEVSTJZSA-N 497.359 6.547 50 10 JKGE C=CCOc1cccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4cccc(OCCC)c4)ccc32)c1 40529902 KUNWOFOFIUJUGK-HHHXNRCGSA-N 482.536 5.478 50 10 JKGE Cc1c(C(=O)Oc2ccc(F)cc2)oc2c1/C(=N/NC(=O)c1ccccc1Br)CCC2 40812959 NNLUEHLXSWPVNG-NLRVBDNBSA-N 485.309 5.179 50 10 JKGE Cc1ccc2c(CC(=O)N/N=C3\CCCc4oc(C(=O)Nc5ccc(F)cc5)c(C)c43)coc2c1C 40826736 GLLAHOSCJWWOQE-DFKUXCBWSA-N 487.531 5.742 50 10 JKGE O=C(COc1ccc(Br)cc1Br)N/N=C/c1ccc(Cl)c(Cl)c1 40902853 DPIZXUXVBRNOAA-IFRROFPPSA-N 480.971 5.048 50 10 JKGE CCc1ccc(OCC(=O)N/N=C/c2ccc(OCc3c(Cl)cccc3Cl)c(OC)c2)cc1 40911589 GLDXKJSJHCLRBY-CCVNUDIWSA-N 487.383 5.673 50 10 JKGE CCOC(=O)/C(C#N)=C/c1cccc(OC(=O)COc2ccc(C(C)C)cc2Br)c1 40944715 WPMXYCHYMMEJIW-VCHYOVAHSA-N 472.335 5.027 50 10 JKGE Cc1c(/C=N\NC(=O)CC[C@H](O)c2ccccc2)c2ccccc2n1Cc1ccccc1Cl 58891120 VGOPVJYGCBMQMT-AZFAFLPTSA-N 459.977 5.615 50 10 JKGE CC(=O)c1cccc(NC(=O)/C(C#N)=C/c2cccc(OCc3cccc(Br)c3)c2)c1 58978588 PQGHSBKCCAJLBK-SRZZPIQSSA-N 475.342 5.776 50 10 JKGE N#C/C(=C/c1cc(Br)ccc1OCc1ccccc1)C(=O)Nc1ccc(F)cc1 59116779 RPZRZVOUUIUHMI-PDGQHHTCSA-N 451.295 5.713 50 10 JKGE COc1cc(/C=N/NC(=O)c2cc3ccccc3o2)cc(Cl)c1OCc1ccc(C(=O)O)cc1 59304999 SRSFZBRKBHWRGY-UVHMKAGCSA-N 478.888 5.136 50 10 JKGE Cc1cccc(NC(=O)/C(C#N)=C/c2ccc(OCc3cccc4ccccc34)c(Br)c2)c1 59432821 QHDDKBDUKAHHIW-HZHRSRAPSA-N 497.392 7.035 50 10 JKGE Cc1cccc(NC(=O)/C(C#N)=C/c2ccc(OCc3ccccc3C#N)c(Br)c2)c1 59432823 GVTGAIXEKPOSQO-CIAFOILYSA-N 472.342 5.754 50 10 JKGE CCCOc1c(Br)cc(/C=C(\C#N)C(=O)Nc2ccc(Cl)cc2)cc1OCC 59483998 SFLCJCMYVNQLFB-XNTDXEJSSA-N 463.759 5.836 50 10 JKGE C[C@@H]1CCCC[C@H]1NC(=O)[C@@H](c1ccccc1Cl)N(CCc1ccccc1Cl)C(=O)CCl 84712632 FUADBYKFTGCKPV-CUHUQNRHSA-N 495.878 6.040 50 10 JKGE COc1cc(/C=C(\C#N)c2ccc([N+](=O)[O-])cc2)cc(Br)c1OCc1ccccc1Cl 89262692 UFBBZABGTGBSAT-VCHYOVAHSA-N 499.748 6.662 50 10 JKGE Fc1cc(Br)c(Cl)cc1[C@H](Br)c1c(F)cc(Br)cc1F 97896024 HUUUMRVPUIGNGG-ZDUSSCGKSA-N 493.342 6.767 50 10 JKGE Cc1ccc([C@@H](Br)c2cc(Br)sc2Br)cc1Cl 109869843 RJKUAUWABUOLKJ-LLVKDONJSA-N 459.428 6.719 50 10 JKGE Cc1cc([C@H](Cl)c2cc(Br)ccc2Br)ccc1Br 137878750 NYFWRCXKMLCZIM-AWEZNQCLSA-N 453.399 6.611 50 10 JKGE COc1cc(/C=C(\C#N)C(=O)NCc2ccco2)ccc1OC(=O)/C=C\c1ccc(C(C)C)cc1 206432185 GYSUMIDHRSYOCF-JNHIKYNSSA-N 470.525 5.254 50 10 JKGE CCCCCCOc1ccc(/C=C2\C(=O)N(Cc3ccc(C)cc3)C(=O)C(C#N)=C2C)cc1OC 214381544 ZAUWYYWUSRJYJN-JLPGSUDCSA-N 472.585 5.755 50 10 JKGE ClCc1cc(Br)c(OCc2ccc(Cl)cc2Cl)c(Br)c1 236020599 UUTJALDFLCUKST-UHFFFAOYSA-N 459.392 6.836 50 10 JKGE Clc1ccc(COc2c(Br)cc(CBr)cc2Br)s1 236041728 LHLHPDFAPGAZDU-UHFFFAOYSA-N 475.427 6.400 50 10 JKGE Fc1cc(Cl)c([C@H](Cl)c2cc(I)ccc2Br)cc1F 236215864 MSJSCADGPCLNFP-CYBMUJFWSA-N 477.901 6.314 50 10 JKGE Fc1ccc([C@H](Br)Cc2c(F)cccc2Cl)c(I)c1 236240105 XBFVBGFPEQSFJI-LLVKDONJSA-N 457.483 5.902 50 10 JKGE Fc1ccc([C@H](Br)c2cc(I)ccc2Br)cc1 236247911 AJQNSFWTMPPPEM-ZDUSSCGKSA-N 469.917 5.677 50 10 JKGE O=C(CSc1nnc(SCc2cccc3ccccc23)s1)NN=C/C=C/c1ccccc1 254700654 JBKPNERPFCXSOY-NZNHPNLESA-N 476.652 5.891 50 10 JKGE CCc1ccc(OCC(=O)NN=Cc2c(OCc3ccc(F)cc3)ccc3ccccc23)cc1 254705162 ZYZFGGZLJFDXKR-UHFFFAOYSA-N 456.517 5.649 50 10 JKGE CCCCCC[C@H](C=NNC(=O)c1cccc(S(=O)(=O)N2CCCCC2)c1)Cc1ccccc1 254758434 GUVCDVDQTQQICL-DEOSSOPVSA-N 483.678 5.406 50 10 JKGE O=C(NN=Cc1ccccc1OCc1ccccc1[N+](=O)[O-])c1ccc(OCc2ccccc2)cc1 254871419 DJYSTDSPCBXQKA-UHFFFAOYSA-N 481.508 5.517 50 10 JKGE CC(C)(C)c1ccc([C@@H]2c3sc(=S)[nH]c3S[C@H]3[C@H]2[C@H]2C[C@H]3[C@@H]3C(=O)OC(=O)[C@@H]23)cc1 256026137 NEELJKMUQOINLO-NJWJYKKWSA-N 457.642 5.291 50 10 JKGE Fc1ccc(Br)c([C@H](Br)c2c(Br)cc(F)c(F)c2F)c1 398742691 RKBFWAXVOROYAO-NSHDSACASA-N 476.887 6.252 50 10 JKGE Clc1cc([C@@H](Br)c2ccc(Br)cc2)c(Cl)c(Cl)c1Cl 404883355 SPYVXVNQDYCSDI-JTQLQIEISA-N 463.811 7.547 50 10 JKGE CC(C)(C)OC(=O)Nc1ccc([C@H]2CCN(CCO[Si](C)(C)C(C)(C)C)c3ccccc32)cc1 616591074 WRZDVMJYJYAYGV-HSZRJFAPSA-N 482.741 7.397 50 10 JKGE Cc1ccc([C@H](Br)c2ccc(F)c(Br)c2F)c(Br)c1 701058167 AVAJPNSITQJARU-LBPRGKRZSA-N 454.934 6.283 50 10 JKGE Cc1sc([C@H](Br)c2cc(Br)ccc2F)c(C)c1Br 724929222 VFUDFNKDRQVGDG-GFCCVEGCSA-N 457.000 6.513 50 10 JKGE Cc1ccc(Cl)cc1-n1c(C)cc(/C=C(\C#N)C(=O)Nc2cccc(Cl)c2Cl)c1C 1083942709 MEPYFPXCHPUXDQ-LICLKQGHSA-N 458.776 6.908 50 10 JKGE Cc1c(Cl)cccc1NC(=O)CCCC(=O)NN=Cc1ccc(OCc2ccccc2)cc1 1084165603 KPNRYDUCELINBM-UHFFFAOYSA-N 463.965 5.487 50 10 JKGE Cc1cccc(COc2ccc(Br)cc2/C=C(/C#N)C(=O)Nc2ccccc2C)c1 1084332303 VVQGWFBPPVVRCE-BKUYFWCQSA-N 461.359 6.191 50 10 JKGE Cc1cccc(NC(=O)/C(C#N)=C\c2cn(Cc3ccc(Cl)cc3Cl)c3ccccc23)c1 1084428040 AJKOPVVUQRUGDD-UNOMPAQXSA-N 460.364 6.851 50 10 JKGE COc1ccc(/C(C#N)=C/c2ccc(OC(=O)C(c3ccccc3)c3ccccc3)cc2)cc1OC 1615099369 OSOGMUJREBAHSB-LGUFXXKBSA-N 475.544 6.505 50 10 JKGE COc1cc(C=NNC(=O)COc2ccc(C(C)(C)c3ccccc3)cc2)ccc1OC(C)C 1772754186 QGZIAKGHGHEFKA-UHFFFAOYSA-N 460.574 5.337 50 10 JKGE O=C(CSc1nc2ccccc2[nH]1)NN=Cc1ccccc1OCc1cccc(Cl)c1 1772760596 XHPYWYQYNHWJDD-UHFFFAOYSA-N 450.951 5.038 50 10 JKGE CN(C)c1ccc([C@@H]2C(C#N)=C(N)Oc3c2c(-c2ccccc2)nn3Cc2ccc(F)cc2)cc1 1865684107 SYYGYWSDTFJWRG-XMMPIXPASA-N 465.532 5.022 50 10 JKGE CC(C)c1ccc([C@H]2C(C#N)=C(N)Oc3c2c(C(F)(F)F)nn3Cc2c(F)cccc2Cl)cc1 1865684900 BMJYBKAAEDTFAN-IBGZPJMESA-N 490.888 6.084 50 10 JKGE COc1ccc(-c2nn(Cc3cc(C)ccc3C)c3c2[C@H](c2ccc(C)cc2)C(C#N)=C(N)O3)cc1 1865686116 QVPDFRFJCOFFIE-AREMUKBSSA-N 476.580 5.750 50 10 JKGE CCCc1nn(Cc2cc(C)ccc2C)c2c1[C@@H](c1c(Cl)cccc1Cl)C(C#N)=C(N)O2 1865686615 XRKUFJIUMBLTBB-OAQYLSRUSA-N 467.400 6.026 50 10 JKGE CCOc1ccc([C@@H]2C(C#N)=C(N)Oc3c2c(-c2ccc(OC)cc2)nn3Cc2ccc(C)cc2)cc1 1865695695 RKZALHFOPKKFDV-AREMUKBSSA-N 492.579 5.532 50 10 JKGE CCCCCOc1ccc([C@H]2C(C#N)=C(N)Oc3c2c(CC)nn3-c2cccc(Cl)c2)cc1OC 1865696499 OHPVEMNRZJEZHM-DEOSSOPVSA-N 493.007 5.884 50 10 JKGE CCCn1nc(C(F)(F)F)c2c1OC(N)=C(C#N)[C@H]2c1ccc(OCc2ccccc2Cl)cc1 1865703881 HXIFEFHJDIZIGN-LJQANCHMSA-N 488.897 5.762 50 10 JKGE Cc1ccccc1[C@H]1C(C#N)=C(N)Oc2c1c(-c1ccccc1)nn2-c1ccc(Br)cc1 1865712789 HYKZXTGIRAINMJ-QFIPXVFZSA-N 483.369 5.828 50 10 JKGE Cc1nc(-c2ccc(Cl)cc2Cl)ccc1C(=O)NNC(=O)CCC(=O)c1ccc(Cl)cc1 1865759701 NQQPSRRWSOVKDW-UHFFFAOYSA-N 490.774 5.441 50 10 JKGE CCCC[C@@H](NC(=O)Cc1nc(-c2ccc(CC)cc2)oc1C)C(=O)Nc1ccc(SC#N)cc1 1867178891 JOQFGTUGBAEYKB-HSZRJFAPSA-N 490.629 5.642 50 10 JKGE COc1ccc([C@H]2CN(c3cc(Nc4ccc(SC#N)cc4)nc(C(C)C)n3)CCS2)cc1 1868231707 PGKSDMSQRDLGNI-JOCHJYFZSA-N 477.659 6.220 50 10 JKGE N#C/C(=C(O)\C=C\c1ccc(Cl)c(Cl)c1)c1nc(-c2ccc(Cl)c(Cl)c2)cs1 1872748986 WIMCTEFVUPXMHX-OFRSHMELSA-N 468.192 7.930 50 10 JKGE CCCCOc1ccc(/C(O)=C(\C#N)c2nc(-c3c(C)c(C)cc(C)c3C)cs2)cc1OCC 1872754238 JOMIIHCYSHHWNA-QYQHSDTDSA-N 476.642 7.571 50 10 JKGE COc1cc(C)c(-c2csc(/C(C#N)=C(\O)CNC(=O)c3ccc(Cl)cc3)n2)cc1C 1872758363 XFPLTJVJGSRDJH-ZZEZOPTASA-N 453.951 5.312 50 10 JKGE COc1cc(/C=C(\C#N)c2nc(-c3ccc(C(C)C)cc3)cs2)ccc1OCCCc1ccccc1 1872791410 IIRDDPJRMILVAU-OVVQPSECSA-N 494.660 8.018 50 10 JKGE CCCCCOc1ccc(/C=C(\C#N)c2nc(-c3cc(C)c(OC)cc3C)cs2)cc1OCC 1872794482 DQVOPOVGBWVVHL-PXLXIMEGSA-N 476.642 7.467 50 10 JKGE Cc1nc([C@H](Cl)c2sc(Cl)cc2I)c(Br)s1 1901021490 QJEJCZYEICPKEE-LURJTMIESA-N 468.994 5.862 50 10 JKGE ClCC[C@@H](COCc1ccccc1)NCc1cc(Cl)ccc1I 1902886489 GEOKGSGLTVNSIA-KRWDZBQOSA-N 464.174 5.249 50 10 JKGE CC(C)(CCl)N(Cc1ccccc1)C(=O)c1c(Br)cccc1Br 1915749518 LQBRYWWTYPWELX-UHFFFAOYSA-N 459.609 5.871 50 10 JKGE Clc1ccc(C[C@H](Br)c2cc(Br)c(Br)s2)nc1 1918227831 NSZORELWPLOWII-QMMMGPOBSA-N 460.416 6.000 50 10 JKGE Clc1ccc(C[C@@H](Cl)c2c(Br)sc(Br)c2Cl)cc1Cl 1923066796 VGMBDWVUBIDLEN-MRVPVSSYSA-N 483.867 7.756 50 10 JKGE Fc1ccc(C[C@@H](Br)c2c(Br)sc(Br)c2Cl)cc1F 1923068243 OSWMZZLSGFPXNS-ZCFIWIBFSA-N 495.408 6.883 50 10 JKGE Cl[C@@H](Cc1ccccc1)c1c(Br)sc(Br)c1Br 1924579983 MUHRUEDSWDJEPJ-QMMMGPOBSA-N 459.428 6.558 50 10 JKGE CCCC[C@@H](CC)[C@H](Cl)c1c(Br)sc(Br)c1Br 1924583828 PNPNTPGMYJOAKR-XCBNKYQSSA-N 467.492 7.532 50 10 JKGE COc1cc(F)c(Br)cc1[C@H](Br)c1csnc1Br 1925249335 YWUXSMODXKZPCI-JTQLQIEISA-N 459.960 5.300 50 10 JKGE CCn1cc([C@@H](Br)c2c(Cl)sc(Cl)c2Cl)nc1Br 1925617978 LELOPKFQXIPBMB-ZCFIWIBFSA-N 453.414 6.172 50 10 JKGE Cc1ccnc(COc2c(C)cc(Br)cc2CBr)c1Br 1927018080 ADCXEABRDIVCLB-UHFFFAOYSA-N 463.995 5.697 50 10 JKGE COc1sc([C@@H](Br)c2cc(Br)sc2C)cc1Br 1946726707 JOUWTBNZMVOTGU-JTQLQIEISA-N 461.038 6.136 50 10 JKGE Fc1ccc(Br)cc1[C@H](Br)c1sc(Cl)cc1Br 1948827730 CXQLUEMPINBTBV-JTQLQIEISA-N 463.391 6.550 50 10 JKGE Fc1ccc(I)cc1[C@H](Br)c1sccc1Br 1980670872 ITIHHOZYCCSSEP-JTQLQIEISA-N 475.946 5.739 50 10 JKGE CC(C)[C@@H]1C[C@@H]1[C@@H](Br)c1c(Br)sc(Br)c1Br 1992943851 GMEBJGQAHIKNGS-VMHSAVOQSA-N 495.900 6.764 50 10 JKGE Brc1sc([C@H](Br)c2ccc(I)cc2)cc1C1CC1 2033644246 YYMHZHGVXVSKEM-CYBMUJFWSA-N 498.021 6.477 50 10 JKGE Cc1c(Br)sc([C@H](Br)[C@H]2CCC[C@H](C)CC2)c1Br 2039360611 UTDGGMVTMFZYAQ-PTOFAABTSA-N 459.085 7.234 50 10 JKGE N#CC(=Cc1cn(-c2ccccc2)nc1-c1cc2ccccc2oc1=O)c1nc2ccccc2[nH]1 2040456568 BELYNYYXWJAMJQ-UHFFFAOYSA-N 455.477 5.586 50 10 JKGE Cc1cc(Br)c(CBr)c(N2CCN(Cc3ccccc3)C[C@H](C)C2)c1 2053201478 BFCDVXMBHVBCMG-KRWDZBQOSA-N 466.261 5.611 50 10 JKGE C[C@@H]1CCc2nn(Cc3ccc(C(F)(F)F)cc3Br)c(CBr)c21 2080641376 AVCPFCNYASSADV-SECBINFHSA-N 452.112 5.657 50 10 JKGE FC1(F)C[C@]12CC[C@H]([C@H](Br)c1cc(Br)ccc1Br)C2 2099907970 LPLBBZSDUPEWOU-AQUOVQTQSA-N 458.966 6.473 50 10 JKGE C[C@H]1CCO[C@H]1CCOc1c(Br)cc(Br)cc1CBr 2101103335 NXMDWCDABNVDPG-ZANVPECISA-N 457.000 5.300 50 10 JKGE CC[C@@]12CC[C@@]([C@H](Br)c3ccc(Br)cc3Br)(CO1)C2 2138855424 WXXXNBGTWQJJJM-ILXRZTDVSA-N 453.012 5.997 50 10 JKGE Cc1cc2sc([C@@H](Br)c3ccc(Br)cc3Br)cc2s1 2138862273 JEJQZUKOZKPIBA-AWEZNQCLSA-N 481.072 7.281 50 10 JKGE O=C(c1cc(Br)sc1Br)N1[C@@H](CBr)CCC12CCC2 2140860388 CVJBAJCXTUUQOW-MRVPVSSYSA-N 472.040 5.195 50 10 JKGE Cc1cc([C@H](Br)c2ccc(C)c(Br)c2C)ccc1I 2142122092 WKURAMFEYVJAFW-INIZCTEOSA-N 494.008 6.463 50 10 JKGE Clc1cc(CN2CC3(CCC(Br)CC3)C2)ccc1I 2142948418 ALTKMLMGAYBYJM-UHFFFAOYSA-N 454.577 5.084 50 10 JKGE C[C@](CBr)(NC(=O)c1csc(Br)c1Br)c1ccccc1 2150344285 HJACNTMSRRQOBI-CQSZACIVSA-N 482.035 5.313 50 10 JKGE CS(=O)(=O)c1sccc1[C@H](Br)c1cc(Cl)c(Br)cc1F 2150547808 ZSPSIYWMAIAHKG-NSHDSACASA-N 462.587 5.191 50 10 JKGE ClCc1nc2cncc(Br)c2n1-c1ccc(I)cc1Cl 2151790516 PYTZHUIXUQOWNR-UHFFFAOYSA-N 482.934 5.180 50 10 JKGE ClCCc1nc2cc(Br)c(Cl)cc2n1C[C@H]1CCN(Cc2ccccc2)C1 2159873644 IYLZGMYQAQINPO-INIZCTEOSA-N 467.238 5.756 50 10 JKGE FC(F)(F)[C@@H]1CN(Cc2c(Br)cccc2Br)C[C@H]1CBr 2163289092 LJYHNFKKRBQAPL-PSASIEDQSA-N 479.960 5.217 50 10 JKGE FC1(F)[C@H]2C[C@@H](Oc3c(Br)cc(CBr)cc3Br)CC[C@H]21 2166006759 VWJLBNUZUGJPRK-AEJSXWLSSA-N 474.965 5.919 50 10 JKGE Cc1cc(Br)c(CBr)c(N2CC[C@H]3[C@@H](CCCN3Cc3ccccc3)C2)c1 2173443758 GJEABKVITZOAED-UGKGYDQZSA-N 492.299 6.143 50 10 JKGE CO[C@H]1C[C@H]([C@@H](Br)c2cc(Br)c(C)cc2Br)C[C@H]1OC 2174891995 KMTDMGRKTNSPSN-ZAOWEBSESA-N 471.027 5.396 50 10 JKGE CCN(C[C@](C)(CI)OC[C@H]1C[C@H]1C1CCCCCC1)C(=O)OC(C)(C)C 2200760103 OOACREPXAZYTAM-DXIQSLLYSA-N 493.470 6.060 50 10 JKGE Cc1cc(Br)c(C)c([C@H](Br)[C@H]2C[C@H]2C2CCCC2)c1Br 2201067803 BFZNVXBFDPWIGQ-GDZNZVCISA-N 465.067 7.091 50 10 JKGE COc1cc2c(cc1Br)nc(CCCl)n2[C@H](C)CCOCc1ccccc1 2202308626 IYHZSLFNAHCZGU-OAHLLOKOSA-N 451.792 5.757 50 10 JKGE CCc1nc([C@H](Br)c2cc(Br)c(OC)cc2F)c(Br)s1 2202901654 FSZAHSPNXYOQDQ-LLVKDONJSA-N 488.014 5.863 50 10 JKGE C[C@H](Br)[C@H](C)c1sc(Br)c(Br)c1Br 2209349844 UQTNAPHUKYPNFG-IMJSIDKUSA-N 455.835 5.923 50 10 JKGE C=C[C@@H](Br)Cc1sc(Br)c(Br)c1Br 2209349867 UWAUEICABFBDCC-SCSAIBSYSA-N 453.819 5.528 50 10 JKGE Brc1sc([C@@H]2CCCCC[C@H]2Br)c(Br)c1Br 2212188956 GPFULUWGKCOSSG-RNFRBKRXSA-N 495.900 6.847 50 10 JKGE Cc1ccc([C@H](Br)c2ccc(Cl)c(Cl)c2)cc1I 2217861215 PNKSTJSNFMYPRH-CQSZACIVSA-N 455.948 6.391 50 10 JKGE FC(F)(F)[C@@H]1CCO[C@@H]1[C@H](Br)c1cc(Br)c(Br)s1 2223756863 IUMXDPMWXXEIDL-VXFFBNABSA-N 472.946 5.677 50 10 JKGE COc1ccc([C@H](Cl)c2ccc(C)c(I)c2)cc1Br 2224622903 XJJQUBAFEAKOHQ-HNNXBMFYSA-N 451.529 5.699 50 10 JKGE Fc1cc(Br)c(Br)cc1[C@H](Br)[C@@H]1C[C@@H]2CCC[C@@H]2C1 2225618638 YZQGMCNNTPLKDY-TURATIMXSA-N 455.003 6.613 50 10 JKGE Cc1cc(Br)c([C@@H](Br)[C@@H]2CCCC(C)(C)O2)cc1Br 2226845868 ZULPDYQIIJPWER-UONOGXRCSA-N 455.028 6.304 50 10 JKGE Cc1cc(Br)c([C@@H](Br)C(F)(F)C(F)(F)F)c(C)c1Br 2227351298 LGWMCNDZHDTQOD-SECBINFHSA-N 474.887 6.462 50 10 JKGE CCC[C@@H](C(C)C)[C@@H](Br)c1c(Br)cc(C)c(Br)c1C 2227362268 MGZXIGYRNWJPOF-BLLLJJGKSA-N 455.072 7.337 50 10 JKGE Cc1sc([C@@H](Br)c2c(F)cc(F)c(Br)c2F)cc1Br 2227804283 DFPPYUZHNQNVLD-LLVKDONJSA-N 478.953 6.483 50 10 JKGE Cc1ccc([C@H](Cl)c2c(Br)cc(F)c(Cl)c2F)cc1I 2232837275 QWOUYHYXUFVRSV-LBPRGKRZSA-N 491.928 6.622 50 10 JKGE Cc1c(Br)cnc2c1nc([C@H](C)Cl)n2C[C@H]1CC1(Br)Br 2233037341 BESSQVKHFVNAGY-JGVFFNPUSA-N 486.433 5.308 50 10 JKGE FC1(F)[C@H]2CCC[C@@H]1C[C@H]([C@@H](Br)c1cc(Br)sc1Br)C2 2233638489 KSVQYWJUJYWMDM-JXVAYASWSA-N 493.049 7.171 50 10 JKGE COc1ccccc1C[C@H](Br)c1cc(Br)c(Br)cc1F 2233976032 NFGFQWIUBLRMCQ-NSHDSACASA-N 466.970 6.038 50 10 JKGE Fc1cccc(I)c1[C@@H](Br)c1ccc(CC2CC2)s1 2267664275 XFWHMBPYMRLNOC-HNNXBMFYSA-N 451.142 5.929 50 10 JKGE COc1ccc([C@@H](Cl)c2cc(C)ccc2I)cc1I 2269555516 WYVUHEOUYNACIA-OAHLLOKOSA-N 498.529 5.541 50 10 JKGE COc1cc(Br)c([C@@H](Br)c2cocc2Br)cc1OC 2270464750 RDYJKSHLODUULM-CYBMUJFWSA-N 454.940 5.306 50 10 JKGE Clc1cc(Br)ccc1[C@@H](Cl)c1cc2sc(Br)cc2s1 2278026375 MNSLHLUOHZZWOX-CYBMUJFWSA-N 457.039 7.469 50 10 JKGE Clc1c(Br)sc(Br)c1[C@@H](Cl)c1ccc2scnc2c1 2278618698 KYNBYBAEJSDKRA-VIFPVBQESA-N 458.027 6.864 50 10 JKGE CN(c1ncc(I)cc1Br)[C@H](CBr)c1ccccc1 2278837472 FQDASYBNBORWDM-CYBMUJFWSA-N 495.984 5.021 50 10 JKGE BrCCCCC1CCN(Cc2c(Br)cccc2Br)CC1 2283191919 QRWAAWJYPFYZGX-UHFFFAOYSA-N 468.071 5.989 50 10 JKGE CC(C)(C)C[C@H](CBr)CNC(=O)c1ccc(Cl)c(I)c1 2283659573 JPINDMQBWFEYCQ-SNVBAGLBSA-N 472.592 5.122 50 10 JKGE COc1ccc([C@H](Br)Cc2cc(Br)cc(Br)c2)c(C)c1 2295265180 NYTHFIWZAKJZMR-MRXNPFEDSA-N 463.007 6.207 50 10 JKGE Brc1cc(Br)cc(C[C@H](Br)[C@@]23CCCC[C@H]2CCC3)c1 2295343090 RRTRQOXOEAGQEY-RRQGHBQHSA-N 465.067 6.878 50 10 JKGE CC(C)(C)OC1CC([C@@H](Br)Cc2cc(Br)cc(Br)c2)C1 2295344970 GNEOWDNTVDNCRF-KWCHVYNWSA-N 469.055 6.111 50 10 JKGE COc1cc(Br)ccc1[C@@H](Br)c1cc2sc(Br)cc2s1 2295508133 AWPMQOXZGQUQEC-CQSZACIVSA-N 497.071 6.981 50 10 JKGE CCCc1cc(C(=O)OC)c(NC(=O)C(C#N)=Cc2ccc(COc3cccc(Cl)c3)o2)s1 2295670005 XQEOOQNJTGSJSC-UHFFFAOYSA-N 484.961 5.858 50 10 JKGE CCOC(=O)C(C#N)=CC=C(c1ccc(Cl)cc1)N1CCN(c2ccc(Cl)cc2)CC1 2297534916 FNKFPSSRWMGZTK-UHFFFAOYSA-N 456.373 5.170 50 10 JKGE Cc1cc([C@H](Cl)c2ccc(OCc3ccccc3)cc2Br)oc1Br 2299526344 XJBCTTSOVBFRDU-GOSISDBHSA-N 470.588 7.020 50 10 JKGE CCc1ccc(NC(=O)C(C#N)=Cc2ccccc2OCc2ccc(Cl)cc2Cl)cc1 2313670591 IMIRXGYDYXQHPL-UHFFFAOYSA-N 451.353 6.680 50 10 JKGE N#CC(=Cc1ccc(-n2nc(-c3ccccc3)cc2-c2ccccc2)cc1)c1nc2ccccc2[nH]1 2314482219 CHIOHIPGXPBSDV-UHFFFAOYSA-N 463.544 7.147 50 10 JKGE CC1=C(C#N)C(=O)N(Cc2ccc(C)cc2)C(=O)C1=Cc1ccc(-c2ccc(Br)cc2)o1 2314617429 YEXCAIXHRLZGCW-UHFFFAOYSA-N 487.353 5.810 50 10 JKGE CCCCOc1ccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)C=Cc4ccccc4)ccc32)cc1 2314634065 IUZKZBMPLFQWBJ-MUUNZHRXSA-N 466.537 5.702 50 10 JKGE COc1cc(C=C(C#N)C(=O)NC2CCCCC2)cc(Br)c1OCc1ccccc1 2314739558 FVURGXDLBNJNHD-UHFFFAOYSA-N 469.379 5.393 50 10 JKGE CCCCOc1ccc(CCC(=O)Oc2ccc(C=C(C#N)C(=O)OCC)cc2OC)cc1OCC 2314807873 FZBSIFPQOAYIHE-UHFFFAOYSA-N 495.572 5.281 50 10 JKGE COc1ccc(OC)c(C=C2Oc3c(ccc(OCc4cccc(CCl)c4)c3C)C2=O)c1 2325361233 JMRMOHVNXCRIAO-UHFFFAOYSA-N 450.918 5.946 50 10 JKGE CCCOc1ccc(-c2csc(C(C#N)=C(O)Cc3ccc(C)c(C)c3)n2)cc1OCCC 2331293250 NDEKRISHZUVJRH-UHFFFAOYSA-N 462.615 7.040 50 10 JKGE CCCCCCCOc1ccc(-c2csc(C(C#N)=C(O)Cc3ccccc3F)n2)cc1 2331344806 OIJJYGMCKSKUSZ-UHFFFAOYSA-N 450.579 7.334 50 10 JKGE CCOc1ccc(-c2csc(C(C#N)=C(O)c3ccc(-n4cccc4)cc3)n2)c(OCC)c1 2331389052 LXUYWYOPMCIBEB-UHFFFAOYSA-N 457.555 6.348 50 10 JKGE COc1cc(Cl)c(C)cc1-c1csc(C(C#N)=C(O)[C@@H]2CC(=O)N([C@H](C)c3ccccc3)C2)n1 2331390432 LCTMCTCGEITOHK-SJLPKXTDSA-N 494.016 6.183 50 10 JKGE CCOC(=O)Oc1ccc(C(O)=C(C#N)c2nc(-c3cc(C(C)(C)C)ccc3C)cs2)cc1 2331394801 ZDGZUULTNAQAED-UHFFFAOYSA-N 462.571 6.901 50 10 JKGE COc1ccc(-c2csc(C(C#N)=C(O)CCCOc3ccc(C)cc3)n2)c2ccccc12 2331406443 MWGCGIZDERXIBV-UHFFFAOYSA-N 456.567 6.932 50 10 JKGE Clc1c(Br)sc(Br)c1[C@H](Br)[C@H]1OC[C@@H]2CCCC[C@H]12 2333520742 PLYPZFXDFCVNMB-OICUOVSFSA-N 493.486 6.568 50 10 JKGE Cc1cc(Br)c([C@H](Br)[C@]23C[C@H](CO2)C3(C)C)cc1Br 2334844619 ZUNZSSQWBSJIGG-DVJZZOLTSA-N 453.012 5.771 50 10 JKGE COc1cccc([C@H](Br)c2ccc(OCc3ccccc3)cc2Br)c1Cl 2336043749 HXVARVYEWYGZHS-HXUWFJFHSA-N 496.626 7.174 50 10 JKGE Cc1nc(Br)c([C@H](Br)c2ccc(F)c(Br)c2F)n1C 2337280394 DOSJQVAMVOECDR-MRVPVSSYSA-N 458.926 5.016 50 10 JKGE C[C@@H]1Cc2cc([C@@H](Br)c3cnsc3Br)cc(Br)c2O1 2337306071 OPGUWHVOPSDKEZ-KSBSHMNSSA-N 468.008 5.476 50 10 JKGE CC12CC([C@H](Br)c3sc(Cl)cc3I)(C1)C1(CCC1)O2 2338565892 FXYKXLJEUNSCAI-PNESKVBLSA-N 473.601 5.934 50 10 JKGE CC(C)[C@@H](Cl)C(C)(C)CN(C)c1ncc(I)cc1Br 2340437171 XHWKZTSEDCTQQP-GFCCVEGCSA-N 459.597 5.175 50 10 JKGE Fc1cc(Cl)c([C@@H](Br)c2ccc(Br)cc2Br)c(Cl)c1 2340797494 CYHANXKSMNDOKO-ZDUSSCGKSA-N 491.807 7.142 50 10 JKGE Cl[C@@H]1CCCC[C@H](CNCc2ccc(I)c(Br)c2)C1 2349839918 KRPIBSXXWJJEFO-WCQYABFASA-N 456.593 5.331 50 10 JKGE Fc1cc(Cl)c(Br)c(Cl)c1[C@H](Br)C[C@@H]1CCCC1(F)F 2360402982 VZKCFOXCOUSYSI-NKWVEPMBSA-N 454.939 7.157 50 10 JKGE Fc1ccc2cc([C@H](Cl)c3ccc(OCc4ccccc4)cc3Br)sc2c1 2361194147 FZDYCZNRELBGEG-JOCHJYFZSA-N 461.783 7.710 50 10 JKGE Fc1c(Br)cc(Cl)c([C@H](Br)C[C@@H]2CCC[C@@H]3C[C@H]23)c1Br 2362228168 MMKMFIUGSWUGFG-XFWSIPNHSA-N 489.448 7.266 50 10 JKGE FC(F)(F)Oc1ccc(Cl)cc1[C@@H](Br)c1cnsc1Br 2362471088 PVZZTWVDVNQVRB-SECBINFHSA-N 451.489 5.942 50 10 JKGE COc1cc([C@H](Br)c2scc(Br)c2Cl)c(OC)cc1Cl 2363541681 LMQPEYIUCARBLO-NSHDSACASA-N 461.002 6.319 50 10 JKGE Cn1nc(Br)c(Br)c1[C@H](Br)c1ccc(-c2cccs2)s1 2364069381 IFALKDJTZQSNSW-SNVBAGLBSA-N 497.075 6.219 50 10 JKGE CCCN[C@H](c1c(C)cc(Br)c(OC)c1Br)[C@@H]1C[C@H]1Br 2365188809 OLJVZKKQZFQBPO-RULNRJAQSA-N 470.043 5.353 50 10 JKGE COCc1ccc(CO[C@@H](CI)c2ccc(Br)cc2)s1 2368069996 DJTFDNKSVRCOOH-HNNXBMFYSA-N 467.166 5.350 50 10 JKGE FC(F)(F)[C@H]1[C@@H](Br)CCCN1Cc1ccc(Cl)cc1I 2370306057 QSNRITPZNLPMKB-CMPLNLGQSA-N 482.509 5.235 50 10 JKGE Cc1ccccc1N/C(SCc1ccc(Cl)cc1)=C(/C#N)C(=O)NCc1cccs1 3059023 NHIPRXDYPTUYMC-BSYVCWPDSA-N 454.020 6.107 50 10 JKGE CCSc1sccc1[C@H]1C(C#N)=C(N)N(c2cccnc2)C2=C1C(=O)C[C@H](c1ccccc1)C2 9981707 MEAWDBAQWQSFGE-KOSHJBKYSA-N 484.650 5.954 50 10 JKGE CCCCCCOc1ccccc1C(=O)NNC(=O)c1ccc(NC(=O)c2cccc(C)c2)cc1 14032653 UGUVRHCJSPSZGQ-UHFFFAOYSA-N 473.573 5.281 50 10 JKGE CC(C)OC(=O)c1ccc2ccccc2c1OC(=O)[C@@]12CC[C@@](C)([C@@H]1Br)C2(C)C 33514191 IDNFNNGKTRIHOF-NKKJXINNSA-N 459.380 5.900 50 10 JKGE COc1cccc2cc(-c3nn(-c4ccccc4)cc3/C=C(/C#N)C(=O)NCc3ccco3)oc12 33515841 SLSCHIDOZDYUBB-UYRXBGFRSA-N 464.481 5.110 50 10 JKGE COc1ccc(NC(=O)/C(C#N)=C/c2ccc(OCc3ccc(Cl)cc3Cl)cc2)cc1 33517135 JTEBTYHGXLWOLY-LDADJPATSA-N 453.325 6.127 50 10 JKGE CCCCC/C(=N\NC(=O)COc1c(C)cc(Br)cc1Br)c1ccccc1 33959036 VBOHEHREFGVMAV-LYBHJNIJSA-N 496.243 6.000 50 10 JKGE CCOc1cc(/C=C(/C#N)C(=O)Nc2cc(C)cc(C)c2)ccc1OCc1ccccc1C#N 34849297 FOABEJNONUDZJJ-OYKKKHCWSA-N 451.526 5.699 50 10 JKGE CCCCOc1ccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4cccc([N+](=O)[O-])c4)ccc32)cc1 38650888 FXGVONQIYPQYJM-VWLOTQADSA-N 485.496 5.211 50 10 JKGE Cc1cc(OCC(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@H]3c2cccs2)cc(C)c1Cl 38656505 RAANKCWXDDJHLY-QFIPXVFZSA-N 466.946 5.221 50 10 JKGE COc1ccc(CC(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@@H]3c2cccc3ccccc23)cc1 38657955 KSLUUCDSMJWXLP-MUUNZHRXSA-N 462.505 5.215 50 10 JKGE CCCOc1ccccc1[C@@H]1C(C#N)=C(N)Oc2cc(OC(=O)Cc3cccc4ccccc34)ccc21 38681653 IZNPKAUWKWCAHZ-PMERELPUSA-N 490.559 5.995 50 10 JKGE CCCCOc1cccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)COc4ccccc4)ccc32)c1 38685085 BLXWFVGALGOVBU-HHHXNRCGSA-N 470.525 5.068 50 10 JKGE Cc1ccc(-c2ccc([C@@H]3C(C#N)=C(N)N4C(=C3C#N)Sc3ccccc34)o2)c([N+](=O)[O-])c1 39794227 NUCVECHNWGXLHG-JOCHJYFZSA-N 453.483 5.302 50 10 JKGE N#C/C(=C\c1ccc(-c2ccc(Cl)cc2Cl)o1)C(=O)Nc1ccc(Cl)cc1Cl 39884609 VMPKHKCWIYAOQL-YRNVUSSQSA-N 452.124 7.106 50 10 JKGE Cc1c(C(=O)Oc2ccc3ccccc3c2)oc2c1/C(=N/NC(=O)c1cccc([N+](=O)[O-])c1)CCC2 40813002 UNBFKYZRRCYBTM-XAYXJRQQSA-N 483.480 5.339 50 10 JKGE Cc1ccc(C)c(OCCCC(C)(C)C(=O)NNC(=O)CCC(=O)Nc2cccc(Cl)c2C)c1 66201411 VXONCBMPOWGCTO-UHFFFAOYSA-N 488.028 5.017 50 10 JKGE BrC[C@H](Cc1ccc(I)cc1)Cc1cccc(Br)c1 97184883 FRKRHAUFNJSMAR-CQSZACIVSA-N 494.008 5.850 50 10 JKGE Clc1ccc(I)c([C@@H](Br)c2ccc(Br)s2)c1 236069164 QFKPGLWMENTLDT-LLVKDONJSA-N 492.401 6.253 50 10 JKGE Fc1cccc(C[C@H](Br)c2cc(Br)ccc2I)c1 236216496 NWADCZYGQUQYKV-ZDUSSCGKSA-N 483.944 5.872 50 10 JKGE O=C(NN=Cc1cn(Cc2ccc([N+](=O)[O-])cc2)c2ccccc12)c1cc2c(ccc3ccccc32)o1 252623796 OZKRQEMZZJMMBY-UHFFFAOYSA-N 488.503 6.261 50 10 JKGE CC(=NNC(=O)c1sc2cc(Cl)ccc2c1Cl)c1ccc(NC(=O)C(F)(F)F)cc1 254394220 IFQLIGUETBLZMF-UHFFFAOYSA-N 474.291 5.863 50 10 JKGE Cc1ccc(-n2c(SCC(=O)NN=Cc3ccccc3C)nnc2-c2ccc(C(C)(C)C)cc2)cc1 254644175 GMFCXZQUMYJKME-UHFFFAOYSA-N 497.668 6.091 50 10 JKGE CCCCCCCCCC(=O)NN=Cc1ccc(OC(=O)c2ccc(OCC)cc2)c(OC)c1 254903836 YZMLCJVQYWTRNO-UHFFFAOYSA-N 468.594 5.904 50 10 JKGE C[C@H](Cl)c1nc2cc(I)ccc2n1[C@@H]1CCN(Cc2ccccc2)[C@H]1C 311804675 FLZZVWVYNHHPHS-YZVOILCLSA-N 479.793 5.776 50 10 JKGE CC(C)(C)OC(=O)N1C[C@@H](CI)[C@@H](c2ccc(Cl)cc2Cl)C1 382693126 OCHIWQHOTVZYRQ-MFKMUULPSA-N 456.151 5.379 50 10 JKGE CC(C)[C@@H](C)/C=C/[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 504636515 UIBBRXVBQYADRW-MMSJATITSA-N 477.571 8.072 50 10 JKGE CC(C)(C)[Si](C)(C)OCCc1ccc([C@H]2CN(CCO[Si](C)(C)C(C)(C)C)CCN2)cc1 616652204 CKTBKPPBXFRITK-XMMPIXPASA-N 478.870 6.219 50 10 JKGE Brc1csc([C@H](Br)c2ccc3c(c2)COC3)c1Br 705425689 LWSQCMADHJDXDB-LLVKDONJSA-N 452.993 5.788 50 10 JKGE COc1ccc([C@H](Br)c2scc(Br)c2Br)c(Cl)c1 705440308 XUVXMZYSNFBIPV-JTQLQIEISA-N 475.427 6.419 50 10 JKGE C[C@@H]1CN(Cc2ccccc2)C[C@@H]1Cn1c(CCl)nc2cc(F)c(Br)cc21 708573946 LPTMNIQTVANSIV-GDBMZVCRSA-N 450.783 5.445 50 10 JKGE Cc1cc(C=NNC(=O)C(=O)Nc2ccc(C(C)C)cc2)c(C)n1-c1ccc(Cl)c(Cl)c1 1083936567 GZBNOICDPHTXHQ-UHFFFAOYSA-N 471.388 5.613 50 10 JKGE CCc1cc([N+](=O)[O-])ccc1-c1ccc(/C=C(/C#N)C(=O)Nc2ccc(Cl)c(OC)c2)o1 1083991472 VSLLWXAIIWMHDA-PTNGSMBKSA-N 451.866 5.625 50 10 JKGE O=C(NN=Cc1ccc(OCc2ccc(Br)cc2)cc1)c1ccc([N+](=O)[O-])cc1Cl 1084101145 ONUARRFPCDCPAO-UHFFFAOYSA-N 488.725 5.354 50 10 JKGE COc1ccc(C=NNC(=O)CCCOc2ccc(C(C)(C)C)cc2Br)c(OC)c1 1772755354 CEGGILMQKHJDFP-UHFFFAOYSA-N 477.399 5.073 50 10 JKGE COc1ccc(-c2nn(Cc3ccccc3Cl)c3c2[C@H](c2ccccc2F)C(C#N)=C(N)O3)cc1 1865684158 UZLZJPOHBMABCL-HSZRJFAPSA-N 486.934 5.618 50 10 JKGE Cc1ccc(O)c([C@H]2C(C#N)=C(N)Oc3c2c(C(F)(F)F)nn3Cc2ccc(Cl)c(Cl)c2)c1 1865686822 BSKWESAIKHGQMF-KRWDZBQOSA-N 495.288 5.489 50 10 JKGE Cc1ccc(C)c(Cn2nc(C)c3c2OC(N)=C(C#N)[C@H]3c2ccc(OCc3ccccc3C)cc2)c1 1865703018 KWRFHTBMELADII-GDLZYMKVSA-N 490.607 5.962 50 10 JKGE CCc1nn(-c2ccccn2)c2c1[C@@H](c1ccc(N(CC)Cc3ccccc3)cc1)C(C#N)=C(N)O2 1865707469 XMHSZVHJWFQFKS-SANMLTNESA-N 476.584 5.074 50 10 JKGE N#CC1=C(N)Oc2c(c(C(F)(F)F)nn2-c2ccccc2)[C@H]1c1ccc(C(F)(F)F)cc1 1865710848 JWSRGPGWBPMOHI-HNNXBMFYSA-N 450.342 5.128 50 10 JKGE Cc1ccccc1[C@H]1C(C#N)=C(N)Oc2c1c(-c1ccccc1)nn2Cc1ccc(Cl)c(Cl)c1 1865712571 BTWAWVXVQZRVLK-QHCPKHFHSA-N 487.390 6.432 50 10 JKGE Cc1nc(-c2ccc(Cl)c(Cl)c2)ccc1C(=O)NNC(=O)[C@@H](C)Oc1ccc(Cl)cc1 1865759414 ZCTJCGOTZFSZDN-CYBMUJFWSA-N 478.763 5.246 50 10 JKGE N#C/C(=C\c1cccc(Br)c1)C(=O)NC1(c2ccc(Br)cc2)CCC1 1866130576 BKYJBDBIHAEZBY-RVDMUPIBSA-N 460.169 5.314 50 10 JKGE COc1cc(/C=C(\C#N)c2ccccc2[N+](=O)[O-])ccc1OCc1ccc(Br)cc1 1872729657 XLXMVNBQHYGJKF-LDADJPATSA-N 465.303 6.009 50 10 JKGE CCc1cccc(C)c1N1C[C@H](/C(O)=C(\C#N)c2nc(-c3ccccc3Cl)cs2)CC1=O 1872746277 AKZQGSSUAOUOHF-WHTJBBQOSA-N 463.990 6.180 50 10 JKGE CC(C)(C)c1ccc(-c2csc(/C(C#N)=C(\O)CN3C(=O)COc4ccc(Cl)cc43)n2)cc1 1872751249 YPWNMAPYXZIZLP-UZYVYHOESA-N 479.989 5.979 50 10 JKGE CCCCCCCOc1ccc(-c2csc(/C(C#N)=C(\O)CCc3ccc(Cl)cc3)n2)cc1 1872753153 JIXSXCQMZFCHOY-LCUIJRPUSA-N 481.061 8.238 50 10 JKGE COc1ccc(Cl)cc1-c1csc(/C(C#N)=C(\O)[C@@H](C)Oc2ccc(Cl)cc2Cl)n1 1872758782 QHMSSEBLCFVEKE-SXHYEUBBSA-N 481.788 7.039 50 10 JKGE COc1ccc(-c2csc(/C(C#N)=C/c3ccc(OCc4ccc(C)cc4)c(OC)c3)n2)cc1C 1872780857 OFPUAYKTTQDNIZ-ZVHZXABRSA-N 482.605 7.087 50 10 JKGE COc1ccc(-c2csc(/C(C#N)=C/c3ccc(OCc4ccccc4C)cc3)n2)cc1OC 1872781772 PRHOOYMLFMNMAB-OEAKJJBVSA-N 468.578 6.779 50 10 JKGE COc1cc(/C=C(\C#N)c2nc(-c3ccc(OC)c4ccccc34)cs2)ccc1OC(C)C 1872795091 MUMGCBABGLOMTC-CPNJWEJPSA-N 456.567 6.832 50 10 JKGE CC[C@H](C)N1C(=O)c2ccc(/C(O)=C(\C#N)c3nc(-c4ccc5ccccc5c4)cs3)cc2C1=O 1873941165 ZGJAKUYYYZVIOY-LDWQWDCMSA-N 479.561 6.308 50 10 JKGE Clc1cc([C@@H](Br)c2cc(I)sn2)c(Cl)s1 1909889943 WZALFUJFUAHBRB-SSDOTTSWSA-N 454.967 5.600 50 10 JKGE C[C@@H]1CN(Cc2ccccc2)C[C@@H](C)N(c2ccc(Br)cc2CBr)C1 1921467280 WMHGCRAZEIJWQF-IAGOWNOFSA-N 466.261 5.691 50 10 JKGE CC(F)(F)CC[C@H](Br)c1c(Br)sc(Br)c1Cl 1923060213 AZRFVAPJCHGKPM-BYPYZUCNSA-N 461.391 6.798 50 10 JKGE C[C@@H](c1ccncc1Br)[C@H](Br)c1ccccc1I 1924035147 ZIRLGJPVCAYUMO-XPTSAGLGSA-N 480.969 5.688 50 10 JKGE C[C@@H](c1ccncc1Br)[C@@H](Br)c1cccc(Br)c1Cl 1924040964 SDSSZUVRQRHHNX-ISVAXAHUSA-N 468.414 6.500 50 10 JKGE CCOc1ccc([C@H](Cl)c2c(Br)sc(Br)c2Br)cc1 1924595760 DMLCLHXDSBWKBI-NSHDSACASA-N 489.454 6.763 50 10 JKGE FC(F)Oc1cccc([C@H](Br)c2c(Cl)sc(Br)c2Cl)c1 1925597266 CJLAMCIDYNHECY-QMMMGPOBSA-N 466.956 6.903 50 10 JKGE CN(CCN(Cc1ccccc1)c1ccc(CCl)c(Br)c1)Cc1ccccc1 1931964622 ALLWUELFJIPSGR-UHFFFAOYSA-N 457.843 6.327 50 10 JKGE CC(C)(C)OC(=O)NCCSSCCNCc1ccccc1NC(=O)OC(C)(C)C 1985349812 GUFWHTLXTCCGOV-UHFFFAOYSA-N 457.662 5.029 50 10 JKGE Brc1cc([C@H](Br)[C@@]23CCCC[C@@H]2CCC3)c(Br)s1 2031751530 FAJAGUMEMHJRJF-LJWDBELGSA-N 457.069 7.070 50 10 JKGE Cc1cc(Br)c([C@H](Br)[C@@H]2C[C@H]2C(F)(F)F)cc1Br 2039184634 DVRQAVNLMLZGTA-AZTOOPQRSA-N 450.918 6.154 50 10 JKGE CC(C)CCOc1ccc(-c2nn(-c3ccccc3)cc2C=C(C#N)c2nc3ccccc3[nH]2)cc1 2053514359 LKLUGWCJNZQSDA-UHFFFAOYSA-N 473.580 6.905 50 10 JKGE CO[C@@H]1C[C@@H]([C@H](Br)c2cc(Br)c(Br)s2)C12CCC2 2070184942 PMXGQWAIIGFYKF-XROYCOCOSA-N 459.041 5.914 50 10 JKGE Brc1cc(Br)c([C@H](Br)C2C[C@H]3COC[C@H](C2)C3)s1 2085747506 MRFUXOCYBWFPRL-YVZVNANGSA-N 459.041 5.772 50 10 JKGE CCC[C@@H]1CC[C@@H](Br)[C@@H](Cc2cccc(Br)c2Br)C1 2092334252 GTSFIWQZEFGSQN-MRVWCRGKSA-N 453.056 6.734 50 10 JKGE CC(C)(C)c1ccc([C@H](Br)c2c(Br)cccc2Br)s1 2094091629 WCDZUYKVRYJAHD-AWEZNQCLSA-N 467.064 7.055 50 10 JKGE Clc1c(Br)cccc1[C@@H](Br)c1cc(C2CC2)c(Br)s1 2094674516 WMCOBMZHVQYLHS-GFCCVEGCSA-N 485.466 7.288 50 10 JKGE O=C(N[C@@H](CBr)c1cccs1)c1cc(Br)ccc1Br 2119040372 UFLQFIZINSOYQK-NSHDSACASA-N 468.008 5.139 50 10 JKGE Cc1cc(Br)c(C)c([C@H](Cl)c2ccccc2OCc2ccccc2)c1Br 2136379514 LFMWIKZKWXABTQ-JOCHJYFZSA-N 494.654 7.736 50 10 JKGE Cc1cc(Br)c(C)c([C@H](Br)[C@H]2CCO[C@@H](C)C2)c1Br 2136379659 MTTLFNBAOPDXBK-CCUNJIBTSA-N 455.028 6.080 50 10 JKGE Cc1c(Br)ccc([C@@H](Br)Cc2cccc(Cl)c2)c1Br 2138852788 OUQOOTPJOWRMKQ-AWEZNQCLSA-N 467.426 6.852 50 10 JKGE COC1CC2(C1)CC([C@@H](Br)c1ccc(Br)cc1Br)C2 2138868038 ZJLBDWVWOVUSDM-MGTHKITRSA-N 453.012 5.853 50 10 JKGE Cc1nscc1CC(CBr)(CBr)c1cccc(Br)c1 2140876491 SIBPIYRPUFXHAC-UHFFFAOYSA-N 468.052 5.484 50 10 JKGE Cl[C@@H](c1c(Br)sc(Br)c1Br)[C@H]1C[C@H]2COC[C@H](C2)C1 2141794587 UWLVCABSWUEREX-FBSDJGSXSA-N 493.486 6.378 50 10 JKGE Brc1cccc(Br)c1[C@H](Br)c1ccc2c(c1)OCCO2 2150493480 LNKGUEZZJRZOMU-OAHLLOKOSA-N 462.963 5.467 50 10 JKGE COc1ccc([C@@H](Br)c2scc(Cl)c2Cl)c(OC)c1Br 2152522942 LKCNOZRLAYOUFE-SECBINFHSA-N 461.002 6.319 50 10 JKGE COc1cc(Br)ccc1[C@H](Br)c1cc(Br)c(Cl)cc1F 2154119517 DBPFAXOEVUVORV-AWEZNQCLSA-N 487.388 6.497 50 10 JKGE CCc1nc([C@@H](Br)c2cc(Br)c3c(c2)CCO3)c(Br)s1 2169490427 PEZJYYMTFKSBHO-NSHDSACASA-N 482.035 5.650 50 10 JKGE O=C(c1cccc(Br)c1Br)N(CCBr)Cc1cccs1 2171091198 VVXNACBNEVVNJB-UHFFFAOYSA-N 482.035 5.310 50 10 JKGE COc1cc(F)c([C@H](Br)c2ccc(Br)c(Cl)c2)cc1Br 2202904673 VGAZOHXOTJWFMO-CQSZACIVSA-N 487.388 6.497 50 10 JKGE COc1c(Cl)cc(Br)cc1[C@@H](Br)c1ccc(Br)c(C)c1 2203002099 JKLPXRUGOXZXNX-AWEZNQCLSA-N 483.425 6.666 50 10 JKGE COc1ccc([C@H](Br)c2cc(Cl)ccc2Br)c(Cl)c1Cl 2203431434 CQYCIDMIUJZWMO-LBPRGKRZSA-N 459.392 6.902 50 10 JKGE COc1ccc([C@H](Br)c2cc(Cl)cc(Br)c2)c(Cl)c1Cl 2203433665 RIXRTPARTAGMBS-GFCCVEGCSA-N 459.392 6.902 50 10 JKGE FCCOc1ccccc1[C@H](Br)c1ccc(Br)cc1Br 2203704733 MAXMXBHUNQWKOK-OAHLLOKOSA-N 466.970 6.044 50 10 JKGE C[C@H](Br)CCc1sc(Br)c(Br)c1Br 2209348461 BDZDCCXSMMGTKP-BYPYZUCNSA-N 455.835 5.752 50 10 JKGE Cc1oc(Br)cc1[C@H](Cl)c1c(Br)cc(Cl)c(Cl)c1Cl 2224308056 SJDNLRTWHSUOTB-JTQLQIEISA-N 467.799 7.401 50 10 JKGE CCOCc1cc(Br)c([C@@H](Br)c2cc(C)sc2Br)s1 2224773987 OKAHIBVFCPVIKR-NSHDSACASA-N 489.092 6.664 50 10 JKGE Fc1cc(Br)c(Br)cc1[C@H](Br)[C@@H]1COCCC1(F)F 2225619977 PDOIZFUQWOBNFY-CPCISQLKSA-N 466.917 5.459 50 10 JKGE COc1c(Br)cc(C)cc1[C@H](Br)c1cc(Br)c(C)s1 2226087448 CXTNKBFPZQQXQG-ZDUSSCGKSA-N 469.036 6.383 50 10 JKGE Cc1cc(Br)c([C@@H](Cl)c2cn(C)c(Br)n2)c(C)c1Br 2227354986 LPUVJSOUKJKUIT-LBPRGKRZSA-N 471.418 5.653 50 10 JKGE Cc1ccc(I)c([C@@H](Br)c2cc(F)c(F)cc2Cl)c1 2232223370 RKJSDLPMFLOARN-AWEZNQCLSA-N 457.483 6.016 50 10 JKGE Clc1cc(Br)c([C@@H](Br)[C@@H]2[C@H]3CCCCC[C@H]32)c(Cl)c1Cl 2232509635 DTCQPGSUKCASDI-XNEIYDBYSA-N 461.452 7.672 50 10 JKGE C[C@H](Cl)c1nc2cccnc2n1-c1ccc(Br)cc1I 2240010033 FTTIEFMSTQZLSO-QMMMGPOBSA-N 462.516 5.087 50 10 JKGE CC(C)c1cc(Br)cc(C(=O)N(Cc2ccccc2)C[C@@H](C)Br)c1 2247251100 UACVRWDZSXCDLO-OAHLLOKOSA-N 453.218 5.998 50 10 JKGE O=C(Cc1cc(Br)cc(Br)c1)N(Cc1ccccc1)[C@@H](CCl)C1CC1 2263485408 LLZQTPKXVSNALV-IBGZPJMESA-N 485.647 5.800 50 10 JKGE Clc1csc([C@H](Br)Cc2cc(Br)cc(Br)c2)c1Cl 2263508564 FFNYIWRFCYLXAJ-SECBINFHSA-N 493.873 7.259 50 10 JKGE Fc1ccc([C@@H](Cl)Cc2cc(Br)cc(Br)c2)c(Br)c1 2277954060 BXWAYICEDTWEOC-AWEZNQCLSA-N 471.389 6.636 50 10 JKGE Clc1ccc([C@@H](Cl)c2cc3sc(Br)cc3s2)cc1Br 2278097587 WXSCWHSEKHUQDE-CYBMUJFWSA-N 457.039 7.469 50 10 JKGE Cc1c(CCl)cccc1NC(=O)c1ccc(I)c(Br)c1 2283551575 FBAKOAFLYWMTEA-UHFFFAOYSA-N 464.528 5.353 50 10 JKGE COc1ccc([C@H](Br)c2c(Br)cccc2Br)c(C)c1C 2284592533 DDOLZNPQYASBOR-INIZCTEOSA-N 463.007 6.321 50 10 JKGE COc1ccc([C@H](Br)c2cccc(C(F)F)c2)cc1I 2285002966 PISJBULXUUDFHS-CQSZACIVSA-N 453.064 5.722 50 10 JKGE COc1ccc([C@H](Br)c2c(F)ccc(C)c2F)cc1I 2285005809 FMOBOKVLHUDWLL-AWEZNQCLSA-N 453.064 5.371 50 10 JKGE Cc1c(Cl)cccc1[C@@H](Br)c1c(F)cc(Br)c(F)c1Br 2288493528 UKBBWGRDKIWGOD-GFCCVEGCSA-N 489.379 6.936 50 10 JKGE CCn1c(SCC(=O)NN=CC(C)=Cc2ccccc2)nnc1-c1ccc(C(C)(C)C)cc1 2293722831 HKKCAUMWTSTXRM-UHFFFAOYSA-N 461.635 5.560 50 10 JKGE Cc1cc(F)c(F)cc1[C@@H](Br)Cc1cc(Br)cc(Br)c1 2295267323 KXDGNRXSGBAFJR-ZDUSSCGKSA-N 468.961 6.477 50 10 JKGE CC(=Cc1ccccc1)C=C(NC(=O)c1ccccc1)C(=O)NN=Cc1cccc(Br)c1 2297322438 PHWOPSYFTYMVJZ-UHFFFAOYSA-N 488.385 5.317 50 10 JKGE CCOc1cc(C=C(C#N)c2nc3ccccc3s2)cc(I)c1OC 2297344819 DHGQZVQIDXMVCP-UHFFFAOYSA-N 462.312 5.372 50 10 JKGE CCOc1ccc(-c2csc(C(C#N)=Cc3cc(Br)c(O)c(OC)c3)n2)cc1 2297477507 OOBZEAZSFXARLO-UHFFFAOYSA-N 457.349 5.750 50 10 JKGE FC(F)(CC1CC1)[C@H](Br)c1cc(Br)ccc1OCc1ccccc1 2299505787 ZSGCEPGQLSPCFJ-GOSISDBHSA-N 460.156 6.900 50 10 JKGE Cl[C@@H](c1ccc(OCc2ccccc2)cc1)c1ccc(OCc2ccccc2)cc1Br 2299529699 FJJDTSKKGNWTAF-MHZLTWQESA-N 493.828 7.935 50 10 JKGE FC1(F)CC[C@H]([C@@H](Br)c2cc(Br)ccc2OCc2ccccc2)C1 2299531556 WZWSRSAFWSYOPP-KBXCAEBGSA-N 460.156 6.900 50 10 JKGE Clc1ccc([C@@H](Cl)c2cc(Br)c(Cl)s2)c(I)c1 2301793492 CGAWONMTWZNJHK-SNVBAGLBSA-N 482.395 6.750 50 10 JKGE Clc1ccc(COC2(CI)CCCC2)c(I)c1 2301817923 MAFIDDBTUPBURL-UHFFFAOYSA-N 476.523 5.209 50 10 JKGE CC[C@@H](Br)CN(CC)Cc1ccc(I)c(Br)c1 2306227429 MYWLVTVPGYBVDA-LLVKDONJSA-N 475.006 5.049 50 10 JKGE CN(C)C(=O)C(C#N)=Cc1cc(Cl)c(OCc2ccccc2Cl)c(Br)c1 2313568292 TZECZQGIJUFYQN-UHFFFAOYSA-N 454.151 5.330 50 10 JKGE Cc1cc(C)cc(NC(=O)C(C#N)=Cc2cc(C)n(-c3ccc(N4CCOCC4)cc3)c2C)c1 2313623884 GYWXBMMWDCUNOV-UHFFFAOYSA-N 454.574 5.093 50 10 JKGE Cc1ccccc1NC(=O)C(C#N)=Cc1cc(Br)ccc1OCc1cccc(Cl)c1 2313667296 KEDMJRPAMBTKAG-UHFFFAOYSA-N 481.777 6.536 50 10 JKGE Brc1ccc(OCc2ccccc2)c([C@H](Br)[C@H]2CC[C@H]3C[C@H]2CO3)c1 2314497593 LTXOXXVMRSYNSX-QUJKESNLSA-N 466.213 6.279 50 10 JKGE COc1c(Br)cc(C)c([C@@H](Cl)[C@H]2C[C@H](Br)C2)c1Br 2317400089 RUSPGJZJDNYANA-UBJUHAIHSA-N 461.419 5.982 50 10 JKGE Cc1cc(Br)c(F)c(Br)c1[C@@H](Br)C(F)(F)C(C)C 2317403335 NHTKTAGDXHLKAE-LLVKDONJSA-N 452.934 6.386 50 10 JKGE COc1cc(C=C(C#N)c2cccc(Cl)c2)ccc1OC(=O)[C@H](C)N1C(=O)c2ccccc2C1=O 2320506351 HUKKUNOQAHWQFU-INIZCTEOSA-N 486.911 5.003 50 10 JKGE Cc1ccc(C=NNC(=O)[C@@H](C)Oc2ccc(C(=O)Nc3c(C(C)C)cccc3C(C)C)cc2)[nH]1 2321698188 FUNKFRYVGNYXMA-HXUWFJFHSA-N 474.605 5.740 50 10 JKGE C[C@H](c1ccccc1)N1C[C@H](C(O)=C(C#N)c2nc(-c3ccc(Cl)cc3Cl)cs2)CC1=O 2331250970 CMEOYVKFMAUABA-GDBMZVCRSA-N 484.408 6.519 50 10 JKGE CCCOc1ccc(-c2csc(C(C#N)=C(O)CCCOc3ccc(OC)cc3)n2)cc1 2331318167 CGEPPIPEIQRULS-UHFFFAOYSA-N 450.560 6.259 50 10 JKGE N#CC(=C(O)c1ccc(N2CCCC2)c([N+](=O)[O-])c1)c1nc(-c2cccc3ccccc23)cs1 2331339407 FQLXUYWHBJSMFA-UHFFFAOYSA-N 468.538 6.422 50 10 JKGE COc1ccc(C(C)(C)C)cc1-c1csc(C(C#N)=C(O)[C@@H](C)N2C(=O)c3ccccc3C2=O)n1 2331349390 OXRPWCKWKZUOID-OAHLLOKOSA-N 487.581 5.594 50 10 JKGE COc1c(Cl)cc(Cl)cc1-c1csc(C(C#N)=C(O)c2ccc(OC(C)=O)cc2)n1 2331364072 JAIKUBCJPCRCDW-UHFFFAOYSA-N 461.326 6.001 50 10 JKGE COc1ccc(-c2csc(C(C#N)=C(O)C=Cc3ccc(Cl)cc3Cl)n2)c2ccccc12 2331406360 CRWYEARYMZOTTN-UHFFFAOYSA-N 479.388 7.785 50 10 JKGE COc1cc(C=C(C#N)c2nc(-c3ccc4c(c3)CCCC4)cs2)ccc1OCCc1ccccc1 2331416579 JZZFYRVVCPMXQX-UHFFFAOYSA-N 492.644 7.383 50 10 JKGE COc1cc(C=C(C#N)c2nc(-c3ccc4c(c3)OCCO4)cs2)cc(Br)c1O 2331451305 OVZQZSNRHOEEPO-UHFFFAOYSA-N 471.332 5.122 50 10 JKGE CCOc1cc(C=C(C#N)c2nc(-c3ccc(OC)cc3OC)cs2)cc(Br)c1O 2331473292 MKCLZYMDQFLMPC-UHFFFAOYSA-N 487.375 5.758 50 10 JKGE CC(C)(C)OC(=O)N1CCC[C@@](CI)(OC[C@@H]2C[C@H]2C2CCCCC2)C1 2332842093 JFTIEIXWEBNROT-WFXMLNOXSA-N 477.427 5.424 50 10 JKGE Cc1cc(Br)c([C@@H](Br)[C@@H]2[C@H]3COCC[C@H]32)c(C)c1Br 2333709017 TXXHQQHUOIMZFQ-MHOHDPQLSA-N 453.012 5.547 50 10 JKGE Cc1nsc(Br)c1[C@@H](Cl)c1c(F)cc(Cl)c(Br)c1Cl 2335290828 QPXCRGXPJASEKE-SECBINFHSA-N 468.400 6.751 50 10 JKGE COc1ccc(Br)cc1[C@@H](Cl)c1cc(Br)ccc1OCc1ccccc1 2336052330 ZXJWKODBCDANAC-OAQYLSRUSA-N 496.626 7.127 50 10 JKGE COC1(C(F)(F)[C@H](Br)c2cc(Br)ccc2OCc2ccccc2)CCC1 2336053908 NEQSFPYTOITLET-GOSISDBHSA-N 490.182 6.669 50 10 JKGE CC1(C)[C@@H]([C@H](Br)c2c(Cl)cc(Br)c(F)c2Br)C1(F)F 2337085523 ZGMZMNFFQDWBTF-PSASIEDQSA-N 485.363 6.731 50 10 JKGE C[C@@]1([C@H](Br)c2c(Cl)cc(Br)c(F)c2Br)CCCOC1 2337086594 NTCVFNUQMATVNX-CHWSQXEVSA-N 479.409 6.257 50 10 JKGE Cc1cc(C)c([C@@H](Br)c2c(Cl)cc(Br)c(F)c2Br)s1 2337088608 NSMJDCUXBXAEDH-NSHDSACASA-N 491.445 7.167 50 10 JKGE Cc1cnc(OCc2ccc(Cl)cc2I)c(CBr)c1 2340112980 QYLLQGWYOGQGMN-UHFFFAOYSA-N 452.517 5.122 50 10 JKGE CCO[C@@H]1CC[C@@H]([C@@H](Br)c2c(C)cc(Br)c(F)c2Br)C1 2365191100 LESVBOLQCKRNLK-GIPNMCIBSA-N 473.018 6.300 50 10 JKGE CCOC(=O)c1c(NC(=O)/C(C#N)=C\c2ccccc2OC)sc(C)c1-c1ccc(Cl)cc1 6492009 JXNJZKXKBWNJNS-AQTBWJFISA-N 480.973 6.108 50 10 JKGE Cc1cc(OCc2ccc(C(=O)N/N=C3\CCSc4ccc(F)cc43)cc2)ccc1Cl 12530824 KQMDPHJDBUWLFF-HPNDGRJYSA-N 454.954 5.996 50 10 JKGE CN(c1ccccc1)c1ccc(/C=C(/C#N)S(=O)(=O)c2ccc(Br)cc2)cc1[N+](=O)[O-] 33575826 HVDAUMLJDZGBRC-MOSHPQCFSA-N 498.358 5.464 50 10 JKGE N#C/C(C(=O)Nc1cc(Cl)ccc1Cl)=C1\S[C@@H](Cc2ccccc2)C(=O)N1c1ccccc1 33934220 XBMQIUXEBAQTLC-ZUGOUDHMSA-N 494.403 6.058 50 10 JKGE COc1cc(/C=C2/C(=O)N(Cc3ccc(C)cc3)C(=O)C(C#N)=C2C)ccc1OCc1ccc(C)cc1 38608476 KMSXSUCCJDKXAK-CVKSISIWSA-N 492.575 5.684 50 10 JKGE CCOc1ccccc1[C@H]1C(C#N)=C(N)Oc2cc(OC(=O)[C@H](C)Oc3ccc(CC)cc3)ccc21 38650555 NLIJGMJLFZVGSB-XRHLQHRESA-N 484.552 5.239 50 10 JKGE N#CC1=C(N)Oc2cc(OC(=O)c3ccccc3Br)ccc2[C@H]1c1cccc(F)c1 38677772 XNSGFJMKRSPHIP-OAQYLSRUSA-N 465.278 5.026 50 10 JKGE Cc1c(C(=O)Nc2ccc(/N=N/c3ccccc3)cc2)oc2c1/C(=N/NC(=O)c1ccco1)CCC2 40814457 ZDLGLJOGRSQDMQ-NQLGTRCJSA-N 481.512 6.319 50 10 JKGE Cc1c(C(=O)Nc2ccc(F)cc2)oc2c1/C(=N/NC(=O)C(c1ccccc1)c1ccccc1)CCC2 40815560 MSFGUIMANKXEEG-IWBSIUBASA-N 495.554 5.968 50 10 JKGE O=C(N/N=C/c1cc(Cl)c(OCc2ccc(Cl)cc2)c(Cl)c1)c1cc2ccccc2o1 59303792 QYTVRCODCFTMJQ-KKMKTNMSSA-N 473.743 6.736 50 10 JKGE Cc1ccc(/C(CSc2nc3ccccc3s2)=N\NC(=O)c2ccccc2Cl)c(C)c1 59460727 TVPSGJBYHRNFGK-MEFGMAGPSA-N 466.031 6.493 50 10 JKGE N#C/C(=C\c1ccc(Cl)cc1Cl)c1ccc(/C(C#N)=C\c2ccc(Cl)cc2Cl)cc1 108485959 QINAUYGCCOGPBI-KFSYKRRRSA-N 470.186 8.429 50 10 JKGE Clc1ccc(Cl)c([C@@H](Br)c2cc(Br)ccc2Br)c1 109844599 CFBXCGCVWSDXHW-ZDUSSCGKSA-N 473.817 7.003 50 10 JKGE Brc1cc([C@@H](Br)CC23CC4CC(CC(C4)C2)C3)c(Br)s1 124381293 FGBGAQROJVIPFI-XZFICEMMSA-N 483.107 7.316 50 10 JKGE CC1=C(/C=C/[C@](C)(CCC[C@H](C)CCC[C@@H](C)CCCC(C)C)OO)C(=O)c2ccccc2C1=O 137053520 YUTUNMUCBDSKNC-HHBONBNCSA-N 482.705 8.626 50 10 JKGE CCCCCCCCCCCCC/C=C/[C@@H](O[Si](C)(C)C(C)(C)C)[C@H](CO)NC(C)=O 206561543 IGUSSWLDGIDKPY-LJLZLVTFSA-N 455.800 7.131 50 10 JKGE in-vitro N#C/C(=C/NCCc1ccc(Br)cc1)C(=O)NC1CCCCCCCCCCC1 217260187 NHTSAIJUYWGSMW-VZCXRCSSSA-N 460.460 5.778 50 10 JKGE COc1ccc([C@@H](Br)c2cc(C)ccc2Br)c(OC)c1Br 224862408 IBLPSCOIXSLJDX-CQSZACIVSA-N 479.006 6.022 50 10 JKGE CCOc1ccc([C@H](Br)c2ccc(Cl)cc2Br)cc1Br 233791322 IRJVEZVZZHEPMM-HNNXBMFYSA-N 483.425 6.748 50 10 JKGE COc1ccc(Cl)cc1[C@@H](Br)c1ccc(Br)cc1Br 234859684 RJLFYFFJZRNLNF-AWEZNQCLSA-N 469.398 6.358 50 10 JKGE COc1ccc([C@H](Br)c2cc(I)ccc2Br)c(F)c1 234995277 FXJYXOSXUUOAIL-AWEZNQCLSA-N 499.943 5.686 50 10 JKGE O=C(Cn1c2ccccc2c(=O)c2ccccc21)NN=Cc1ccccc1OCc1ccccc1Cl 254291175 DLTONNZKSQMBKA-UHFFFAOYSA-N 495.966 5.537 50 10 JKGE Cc1cccc(-n2c(C)cc(C=NNC(=O)C(O)(c3ccccc3)c3ccccc3)c2C)c1C 254588552 CDDMEVTYAGYOSM-UHFFFAOYSA-N 451.570 5.097 50 10 JKGE Cc1cccc([C@@H](Cl)c2cc3c(cc2Br)OCC3)c1I 308437119 QTAWVJIRVMBPPB-OAHLLOKOSA-N 463.540 5.625 50 10 JKGE Cl[C@H](c1ccccc1OCc1ccccc1)c1cc(Br)sc1Br 309964730 KDNUMAHVZQHJTL-QGZVFWFLSA-N 472.629 7.180 50 10 JKGE N#CC(=C1CCN(C(=O)OCc2ccccc2)CC1)c1ccccc1I 310017345 OTFWJGAHFRDBKA-UHFFFAOYSA-N 458.299 5.001 50 10 JKGE Cc1cc(Br)c([C@H](Br)c2ccc(Br)cc2)cc1Cl 310626316 JURVBEYHAHJZPR-CQSZACIVSA-N 453.399 6.658 50 10 JKGE Fc1ccc(Br)cc1[C@H](Cl)c1scc(C(F)(F)F)c1Br 312977303 QAUBZRJOWAPQRV-JTQLQIEISA-N 452.492 6.759 50 10 JKGE BrCc1ccc(Br)cc1N1CC[C@H]2CC[C@@H](C1)N2Cc1ccccc1 399839325 MTKBBJHMFNJNEP-UXHICEINSA-N 464.245 5.587 50 10 JKGE FC1(F)CCC[C@H]1CC(CBr)(CBr)c1cccc(Br)c1 400655233 XGFHECJCVFXQGH-LBPRGKRZSA-N 475.009 6.302 50 10 JKGE Clc1cc([C@@H](Cl)c2csc(I)c2)c(Cl)c(Cl)c1Cl 404654698 STHMSBOLTXEAOG-QMMMGPOBSA-N 472.389 7.295 50 10 JKGE CC(C)(C)[Si](C)(C)OCc1cccc([C@@H]2CCN(S(=O)(=O)c3ccccc3)c3ccccc32)c1 616587210 KACQQPCEMCKDQW-VWLOTQADSA-N 493.745 6.939 50 10 JKGE CN(C(=O)OC(C)(C)C)c1ccccc1[C@@H]1CCN(CCO[Si](C)(C)C(C)(C)C)c2ccccc21 616675262 PUTJOKHNIWCVNJ-QFIPXVFZSA-N 496.768 7.422 50 10 JKGE CC(C)(C)[C@@H](CCBr)NC(=O)c1scc(Br)c1Br 705410882 VANKTSIHSWGROA-MRVPVSSYSA-N 462.045 5.203 50 10 JKGE C[C@H]1Cc2cc(Br)cc([C@H](Br)c3ccccc3OCc3ccccc3)c2O1 720037582 BSFFQPIJOFQELC-OYHNWAKOSA-N 488.219 6.836 50 10 JKGE Clc1ccsc1[C@@H](Br)c1ccc(I)c(Br)c1 721586091 IVPZWWGRFMKXMD-JTQLQIEISA-N 492.401 6.253 50 10 JKGE COc1ccc(CSCC(=O)NN=Cc2cc(C)n(-c3ccc(Cl)cc3Cl)c2C)cc1 1083954605 RBODHCSXSNEIEG-UHFFFAOYSA-N 476.429 5.793 50 10 JKGE Cc1cc(C=NNC(=O)C(=O)Nc2ccc(Cl)cc2)c(C)n1-c1ccc(Cl)cc1Cl 1084094720 UVHHONZCLYURMG-UHFFFAOYSA-N 463.752 5.143 50 10 JKGE CC(C)Cc1ccc([C@H](C)C(=O)NN=Cc2ccc(Oc3ccc([N+](=O)[O-])cc3[N+](=O)[O-])cc2)cc1 1084241736 MXOQYNZVTMGBKR-SFHVURJKSA-N 490.516 5.748 50 10 JKGE N#C/C(=C/c1cn(Cc2ccc(Cl)cc2Cl)c2ccccc12)C(=O)Nc1ccc(Cl)cc1 1084291350 JSABOUGILUHVBY-BOPFTXTBSA-N 480.782 7.195 50 10 JKGE Cc1cccc(COc2ccc(Br)cc2/C=C(/C#N)C(=O)Nc2ccccc2Cl)c1 1084311142 KINSDVNXWPDHNB-UNOMPAQXSA-N 481.777 6.536 50 10 JKGE N#C/C(=C/c1cc(Cl)ccc1OCc1cccc(F)c1)C(=O)Nc1ccc(Cl)c(Cl)c1 1084433477 GYRSJYAJGGJTSV-SXGWCWSVSA-N 475.734 6.911 50 10 JKGE FC(F)(F)Oc1ccc([C@@H]2CN(Cc3ccccc3)C[C@@H]2CI)cc1 1614613243 FCZPXHGFELJMLT-WMZOPIPTSA-N 461.265 5.236 50 10 JKGE COc1cc(C=NNC(=O)COc2ccccc2C)ccc1OCc1c(Cl)cccc1Cl 1772754385 SQNBOBFGPSPBHB-UHFFFAOYSA-N 473.356 5.419 50 10 JKGE Cc1ccc(C)c(Cn2nc(C(F)(F)F)c3c2OC(N)=C(C#N)[C@H]3c2cccc3ccccc23)c1 1865682032 DMPJKMFOVOPIAE-JOCHJYFZSA-N 474.486 5.938 50 10 JKGE CCCc1nn(Cc2c(F)cccc2Cl)c2c1[C@H](c1c(F)cccc1Cl)C(C#N)=C(N)O2 1865682452 OPJMMWNMQAXYLY-IBGZPJMESA-N 475.326 5.687 50 10 JKGE N#CC1=C(N)Oc2c(c(-c3ccccc3)nn2-c2ccc(Cl)cc2)[C@@H]1c1cccc2ccccc12 1865682794 XRTXMHSQTIZZLD-RUZDIDTESA-N 474.951 6.564 50 10 JKGE N#CC1=C(N)Oc2c(c(C(F)(F)F)nn2Cc2ccc(Cl)cc2)[C@@H]1c1cc(Cl)ccc1O 1865689001 HEPAXWRIRQOPKW-MRXNPFEDSA-N 481.261 5.181 50 10 JKGE CCc1nn(-c2ccc(OC)cc2)c2c1[C@H](c1ccc(OCc3ccccc3)cc1)C(C#N)=C(N)O2 1865689468 ADGGOPXTEDPGGZ-AREMUKBSSA-N 478.552 5.240 50 10 JKGE CCCCOc1ccc([C@@H]2C(C#N)=C(N)Oc3c2c(CC)nn3Cc2cc(C)ccc2C)cc1 1865689876 FOZQRRSKZDLZAR-RUZDIDTESA-N 456.590 5.508 50 10 JKGE CCCCOc1ccc([C@H]2C(C#N)=C(N)Oc3c2c(-c2ccc(OC)cc2)nn3-c2ccccn2)cc1 1865690245 MKFGHZWSEPIUDX-VWLOTQADSA-N 493.567 5.340 50 10 JKGE CCCCCOc1ccc([C@@H]2C(C#N)=C(N)Oc3c2c(CC)nn3Cc2ccc(F)cc2)cc1 1865693059 KWSYWOIHHWZYGG-XMMPIXPASA-N 460.553 5.420 50 10 JKGE CCCCCOc1ccc([C@H]2C(C#N)=C(N)Oc3c2c(CC)nn3Cc2ccc(C)cc2)cc1 1865693224 MKDPZOGGDMWJQU-VWLOTQADSA-N 456.590 5.589 50 10 JKGE N#CC1=C(N)Oc2c(c(-c3ccccc3)nn2Cc2cccc(Cl)c2)[C@H]1c1ccccc1C(=O)O 1865704491 XDDGWVIZESTZNX-QFIPXVFZSA-N 482.927 5.168 50 10 JKGE Cc1ccc(C)c(Cn2nc(-c3ccccc3)c3c2OC(N)=C(C#N)[C@H]3c2cccc([N+](=O)[O-])c2)c1 1865705759 DZIWJIIXUPQWOZ-XMMPIXPASA-N 477.524 5.342 50 10 JKGE Cc1nn(-c2cccc3ccccc23)c2c1[C@H](c1ccc(Cl)c([N+](=O)[O-])c1)C(C#N)=C(N)O2 1865706402 VWSOCZDMTIZHTP-JOCHJYFZSA-N 457.877 5.114 50 10 JKGE Cc1ccc(SCCCC(=O)NNC(=O)CCCOc2ccc(Cl)cc2Cl)cc1 1865755859 UOXHIJQFJZZVHU-UHFFFAOYSA-N 455.407 5.181 50 10 JKGE Cc1nc(-c2ccc(Cl)c(Cl)c2)ccc1C(=O)NNC(=O)[C@@H](C)Oc1ccc(C(C)C)cc1 1865759112 IVAMDLQEYWNUAH-MRXNPFEDSA-N 486.399 5.716 50 10 JKGE CCc1cccc(C)c1N1C[C@H](/C(O)=C(\C#N)c2nc(-c3ccc([N+](=O)[O-])cc3)cs2)CC1=O 1872747241 UEQFSYMUPOFLSV-FCZGTTMTSA-N 474.542 5.435 50 10 JKGE N#C/C(=C(/O)CN1C(=O)c2ccccc2C1=O)c1nc(-c2ccc(Cl)c(Cl)c2)cs1 1872748844 PREQIMISPYMRBY-JXAWBTAJSA-N 456.310 5.206 50 10 JKGE COc1ccc(-c2csc(/C(C#N)=C(\O)CCCOc3ccc(C(C)(C)C)cc3)n2)cc1F 1872752935 ZRFNMPQIRXHXKN-ATJXCDBQSA-N 466.578 6.907 50 10 JKGE CCOc1ccc(OCC)c(-c2csc(/C(C#N)=C(\O)c3c(OC)cccc3OC)n2)c1 1872754695 DWRNZPGOMCYDOF-QJOMJCCJSA-N 452.532 5.575 50 10 JKGE CCOc1ccc(-c2csc(/C(C#N)=C(\O)c3cc([N+](=O)[O-])ccc3Cl)n2)c(OCC)c1 1872755208 CUAPGUBJBJTGJL-FXBPSFAMSA-N 471.922 6.119 50 10 JKGE CCCOc1ccc(-c2csc(/C(C#N)=C/c3cccc(Br)c3)n2)cc1OCCC 1872790012 FBQNUTVWEMNJCS-XDHOZWIPSA-N 483.431 7.214 50 10 JKGE CC(C)[C@@H](CBr)CSc1cc(I)ccc1Br 1900779931 KOVBJFBGAMJUFY-VIFPVBQESA-N 478.031 5.813 50 10 JKGE CC(C)[C@H](CBr)N(Cc1ccccc1)S(=O)(=O)c1ccc(Br)cc1 1915296092 QKXNVOBHUSODED-SFHVURJKSA-N 475.246 5.060 50 10 JKGE Clc1c(Br)sc(Br)c1[C@H](Br)[C@H]1C[C@H]2CC[C@H]1O2 1923047181 AXUQMHGENIDLEO-BYPJNBLXSA-N 465.432 5.930 50 10 JKGE Brc1sc(Br)c([C@@H](Br)c2cccs2)c1Br 1924575728 FBOWKRRNULZPKM-LURJTMIESA-N 495.881 6.581 50 10 JKGE CC1(C)C[C@@H]1C[C@@H](Cl)c1c(Br)sc(Br)c1Br 1924615791 GKMPQYLTULHYND-NTSWFWBYSA-N 451.449 6.752 50 10 JKGE Clc1cc(Br)c([C@H](Br)c2nscc2Br)s1 1933597442 OPMATWDTGYYSIM-ZCFIWIBFSA-N 452.418 5.867 50 10 JKGE CCn1ncc(Br)c1[C@H](Cl)c1cc(Br)sc1Br 1945454849 WCKYZFWTCTYXQU-MRVPVSSYSA-N 463.420 5.580 50 10 JKGE Brc1sc([C@H](Br)c2ccsc2Br)cc1C1CC1 1945797940 CUJMEYFUHCCPND-SNVBAGLBSA-N 457.050 6.696 50 10 JKGE Clc1cc(Br)c([C@@H](Br)Cc2cccc(Br)c2)s1 1948829248 ROAVDZJRRUYYQQ-VIFPVBQESA-N 459.428 6.605 50 10 JKGE COCc1cc(Br)c([C@H](Cl)c2cc(I)sn2)s1 2007647805 OCUGHEVSXNAZRN-SECBINFHSA-N 464.575 5.046 50 10 JKGE C[C@]1([C@H](Cl)c2c(Br)sc(Br)c2Br)COCCO1 2021894700 BCDURBFTUVRNJP-GMSGAONNSA-N 469.420 5.121 50 10 JKGE Cc1sc(C)c([C@@H](Br)c2cccc(Br)c2Br)c1C 2031482542 UAAWUZPONIRTKW-AWEZNQCLSA-N 453.037 6.683 50 10 JKGE Cc1cc([C@@H](Br)c2csc(Br)c2Br)c(C)cc1F 2032958997 QMGFLOOCTKSPJQ-LLVKDONJSA-N 457.000 6.513 50 10 JKGE Cc1c(Br)sc([C@H](Br)[C@H]2[C@@H]3[C@H]2CCC3(F)F)c1Br 2051237415 CQKOSWPRMOBPCQ-VOQBNFLRSA-N 464.995 6.309 50 10 JKGE CCn1cc(Br)c([C@@H](Cl)c2ccc(Br)cc2Br)n1 2083323514 XEFQHKBTHJUAAT-NSHDSACASA-N 457.391 5.519 50 10 JKGE Clc1cc(Cl)cc([C@@H](Br)c2ccc(Br)cc2Br)c1 2083336485 APPAEKGVJYVCBJ-CYBMUJFWSA-N 473.817 7.003 50 10 JKGE CCc1ccc([C@H](Br)c2csc(Br)c2Br)cc1CC 2093942677 XXFDMNZHNBCWIC-ZDUSSCGKSA-N 467.064 6.882 50 10 JKGE CCc1nc([C@@H](Br)c2cc(C)c(Br)cc2C)c(Br)s1 2113183872 XMAFDFKRNDASSE-LBPRGKRZSA-N 468.052 6.332 50 10 JKGE Cc1cc(Cl)c([C@@H](Br)c2cc(Br)ccc2Br)cc1Cl 2136691340 HGYKVQBHFOTJDG-AWEZNQCLSA-N 487.844 7.311 50 10 JKGE CC[C@@H]1CC[C@@H](COc2c(Br)cc(CBr)cc2Br)O1 2136741140 FCVSKWXQSSHLPB-MNOVXSKESA-N 457.000 5.443 50 10 JKGE COc1cc(F)c([C@H](Br)c2cccc(OCc3ccccc3)c2)cc1Br 2138157929 BNLZDKRODUSQNP-OAQYLSRUSA-N 480.171 6.660 50 10 JKGE COc1cc(Br)c(C)cc1[C@@H](Cl)c1ccc(Br)cc1Br 2145958587 VVLWRSRXOATLCO-HNNXBMFYSA-N 483.425 6.619 50 10 JKGE Brc1cccc(C[C@H]2CCc3ccccc3[C@@H]2Br)c1Br 2148755534 ZHKJDJINIAZAJI-CZUORRHYSA-N 459.019 6.453 50 10 JKGE C[C@@H](Cl)c1nc2ncccc2n1-c1cc(Br)ccc1I 2175996259 ANXGGWVFFFFUPS-MRVPVSSYSA-N 462.516 5.087 50 10 JKGE Cc1cc(COc2c(Br)cc(Br)cc2CBr)nnc1C 2185754618 QMDOCUKFKCXGHX-UHFFFAOYSA-N 464.983 5.092 50 10 JKGE O=S(=O)(c1ccc(Cl)c(CBr)c1Cl)N1CCC[C@H](OCc2ccccc2)C1 2186388353 DEZCTRAHUCFHCW-HNNXBMFYSA-N 493.250 5.258 50 10 JKGE CC1(C)CC([C@H](Br)c2ccc(Br)cc2Br)CC(C)(C)C1 2203706071 QWLCETXCADYVNW-HNNXBMFYSA-N 467.083 7.500 50 10 JKGE C=C(Cl)[C@H](Br)Cc1sc(Br)c(Br)c1Br 2209974162 WQSSFIBEPIVFSH-SCSAIBSYSA-N 488.264 6.094 50 10 JKGE Cc1nn(C)c([C@@H](Br)c2cc(Br)sc2Br)c1Cl 2217406707 RSYHCUHTDFZJSC-ZETCQYMHSA-N 463.420 5.453 50 10 JKGE CC[C@@H](Br)CN(Cc1ccccc1)c1ncc(C(F)(F)F)cc1Br 2217408429 FYXSAFYWCXYYLV-CQSZACIVSA-N 466.139 6.043 50 10 JKGE CCn1cc([C@@H](Br)c2sc(Br)c(C)c2C)nc1Br 2218789518 VBAVTKUXHVVKHU-SECBINFHSA-N 457.029 5.591 50 10 JKGE Cc1c(Br)csc1[C@H](Br)c1cc(Cl)c(Br)cc1F 2219006545 KRGVCDOEUOTDNZ-LLVKDONJSA-N 477.418 6.858 50 10 JKGE Cc1cc([C@@H](Br)c2cc(C)c(Br)c(C)c2)sc1Br 2220199434 AZZKWHLDFWRROZ-ZDUSSCGKSA-N 453.037 6.683 50 10 JKGE C[C@@H](CN(C)Cc1ccccc1)n1c([C@@H](C)Cl)nc2cc(Br)c(Br)cc21 2225684149 ATPIKYWAFSFZCU-UONOGXRCSA-N 499.678 6.554 50 10 JKGE Cc1cc(Br)c([C@@H](Br)CC[C@H]2CC2(C)C)c(C)c1Br 2227361726 GTKXCMJQYOYVHI-RYUDHWBXSA-N 453.056 7.091 50 10 JKGE O=C(c1scc(Br)c1Br)N1C[C@@H](Br)CC12CCCC2 2232252795 INHNHBWJUMTVEI-QMMMGPOBSA-N 472.040 5.195 50 10 JKGE CCOCc1cc(Br)c([C@@H](Cl)c2c(Cl)cccc2Br)s1 2233025086 YHHLYAVXXGDEHX-ZDUSSCGKSA-N 459.030 6.791 50 10 JKGE Fc1cc2nc(CCCl)n(C[C@@H]3CC3(Br)Br)c2cc1Br 2233038869 IOOZVJPUPVCAPB-ZETCQYMHSA-N 489.408 5.225 50 10 JKGE CCOc1ccc([C@@H](Br)c2sc(C)c(C)c2Br)c(Br)c1 2237630286 UBPRXSLQLVSMDS-CQSZACIVSA-N 483.063 6.773 50 10 JKGE COc1ccc([C@H](Br)c2ccc(C)c(Br)c2C)c(Br)c1 2240811318 ZPHVFABAQOBNCX-MRXNPFEDSA-N 463.007 6.321 50 10 JKGE CCCCc1ccc([C@H](Br)c2csc(Br)c2Br)s1 2253418333 LPUSBKHSIUTUSQ-LLVKDONJSA-N 473.093 7.162 50 10 JKGE Cc1sc([C@H](Br)c2nn(C)c(Br)c2C)c(Br)c1C 2253470660 FQHHEOOOXCVPQH-SECBINFHSA-N 457.029 5.416 50 10 JKGE CCc1cc([C@@H](Br)c2cccc(Br)c2Cl)sc1Br 2256049994 AGCXZRWVBWFTLB-NSHDSACASA-N 473.455 6.973 50 10 JKGE Cl[C@@H](c1c(Br)sc(Br)c1Br)[C@@H]1COC2(CCC2)C1 2257224851 SWRRXOPSDJBGBG-IMTBSYHQSA-N 479.459 6.275 50 10 JKGE CCOCc1cc(Br)c([C@H](Cl)c2scc(Br)c2Cl)s1 2264609093 HUMRAWXNYNFIQE-JTQLQIEISA-N 465.059 6.853 50 10 JKGE COc1ccc([C@@H](Br)c2ccc(Cl)c(I)c2)c(Cl)c1 2268279904 NFIPDZGNHPZYDU-AWEZNQCLSA-N 471.947 6.091 50 10 JKGE COc1ccc([C@H](Br)c2ccc(Cl)c(C)c2)cc1I 2269538941 CNZFHEHJIWLHRX-OAHLLOKOSA-N 451.529 5.746 50 10 JKGE Fc1cc(Br)c(Br)cc1[C@H](Br)C1CC2(CC(F)C2)C1 2272094298 ZXNWTICWJLFXHQ-VYEVQPPESA-N 458.966 6.315 50 10 JKGE Cn1ncc([C@@H](Cl)c2c(F)cc(Br)c(F)c2Br)c1Br 2272855912 PKKNFZXBSOWBLT-SECBINFHSA-N 479.344 5.314 50 10 JKGE Fc1cc(Br)ccc1CO[C@@H](CBr)c1cccc(Br)c1 2281374341 WEFUQKYTTACUMP-HNNXBMFYSA-N 466.970 6.004 50 10 JKGE Clc1ccc(I)c(CN2CCC(CCCCBr)CC2)c1 2283211704 LRJAEVHMJMGWED-UHFFFAOYSA-N 470.620 5.722 50 10 JKGE O=C(NC[C@H]1CCCC[C@@H](Br)C1)c1ccc(Cl)c(I)c1 2283653170 CVBYZTGQPGILFR-CMPLNLGQSA-N 470.576 5.018 50 10 JKGE COc1c([C@H](Br)c2ccsc2Br)cc(Br)c2c1CCC2 2284513295 AWYMMPYJTXSYAD-CYBMUJFWSA-N 481.047 6.255 50 10 JKGE COc1ccc([C@@H](Br)C[C@@H](C(F)F)C(C)(C)C)cc1I 2285010231 QMWXOJWUFUCION-QWRGUYRKSA-N 461.128 6.053 50 10 JKGE CC1(C)[C@H]2C[C@H]([C@@H](Br)c3c(F)cc(Br)c(F)c3Br)C[C@H]21 2288373088 FJFKXPOKTJZIPA-HZLHGAJGSA-N 472.993 6.608 50 10 JKGE O=C(NN=C(C=Cc1ccccc1)c1ccccc1)c1cccc(I)c1 2293116057 QGXFTQSQPGABIK-UHFFFAOYSA-N 452.295 5.139 50 10 JKGE COc1cccc(NC(=O)C(C#N)=Cc2c(C)n(Cc3ccccc3Cl)c3ccccc23)c1 2294146979 OYWVAEMHSQPZRF-UHFFFAOYSA-N 455.945 6.206 50 10 JKGE Fc1ccc([C@@H](Br)Cc2cc(Br)cc(Br)c2)c(F)c1F 2295280149 YAHCKKSSYUUSPT-NSHDSACASA-N 472.924 6.308 50 10 JKGE CCOC(=O)c1c(NC(=O)C(C#N)=Cc2ccc(-c3ccc(F)cc3)o2)sc2c1CC[C@H](C)C2 2296500360 KXYWKKQGFRNSRN-HNNXBMFYSA-N 478.545 5.994 50 10 JKGE N#CC(=Cc1cn(-c2ccccc2)nc1-c1ccc(Br)cc1)c1nc(O)c2ccccc2n1 2296721715 FGBPFZIEYMMELH-UHFFFAOYSA-N 494.352 6.015 50 10 JKGE COc1cc(C=C(C#N)c2nc3ccccc3[nH]2)cc(Br)c1OC(=O)c1cccs1 2297367262 BHOHQOCEVRHCBX-UHFFFAOYSA-N 480.343 5.679 50 10 JKGE CCOc1cc(C=C(C#N)C(=O)Nc2nc3ccccc3s2)ccc1OCc1ccccc1Cl 2297500413 WWHSLHZDMCMJJN-UHFFFAOYSA-N 489.984 6.473 50 10 JKGE Cc1cc([N+](=O)[O-])ccc1-c1ccc(C=C(C#N)C(=O)Nc2ccc([N+](=O)[O-])cc2Br)o1 2297551408 IEVFSXNKPZGJHM-UHFFFAOYSA-N 497.261 5.380 50 10 JKGE C[C@H](CC(C)(C)C)[C@@H](Br)c1ccc(OCc2ccccc2)cc1Br 2299502965 AXKNSWTZBYEIME-FOIQADDNSA-N 454.246 7.536 50 10 JKGE N#CC(=Cc1ccc(OCc2ccc(Cl)c(Cl)c2)cc1)C(=O)Nc1ccc(Cl)cc1 2313631636 TVNGPHMNZFSXMX-UHFFFAOYSA-N 457.744 6.771 50 10 JKGE N#CC(=Cc1cccc(OCc2ccc(Cl)cc2)c1)C(=O)Nc1ccc(Cl)c(Cl)c1 2313631939 ZLDYPQXSRXRFKL-UHFFFAOYSA-N 457.744 6.771 50 10 JKGE CCOc1cc(C=C(C#N)C(=O)Nc2ccc(CC)cc2)ccc1OCc1ccc(Cl)cc1Cl 2313738618 KLWPSQIZNIZSNU-UHFFFAOYSA-N 495.406 7.079 50 10 JKGE Cc1c(Cl)cccc1[C@H](Br)c1cc(Br)ccc1OCc1ccccc1 2314491152 PZDIAOZIVMSRMO-NRFANRHFSA-N 480.627 7.474 50 10 JKGE CN(Cc1c(Br)cccc1Br)c1ncc(CBr)s1 2318186892 PFXKVNZECXXFNC-UHFFFAOYSA-N 455.013 5.199 50 10 JKGE CC(C)(C)OC(=O)N1C[C@@H](Br)[C@H](OCCCc2cc(Cl)cc(Cl)c2)C1 2318688662 UZSCDMICCCOHPP-HZPDHXFCSA-N 453.204 5.325 50 10 JKGE COc1ccc(Br)cc1C=C1Oc2c(ccc(OC(=O)C(Cl)Cl)c2C)C1=O 2323759585 QEUMJTFHMWFCFN-UHFFFAOYSA-N 472.118 5.091 50 10 JKGE Brc1ccc(CN2CC[C@H]3C[C@H](Br)CC[C@H]32)c(Br)c1 2328747756 WHHJJNQLDZBQDG-JVLSTEMRSA-N 452.028 5.350 50 10 JKGE Cc1cc(OCC(O)=C(C#N)c2nc(-c3ccc(-c4ccccc4)cc3)cs2)cc(C)c1Cl 2331231904 RNXDNVZYGKTDLM-UHFFFAOYSA-N 472.997 7.619 50 10 JKGE CC(C)(C)c1csc(C(C#N)=C(O)C=Cc2ccc(OCc3ccccc3Cl)cc2)n1 2331306102 KEAHKOIQZMYCTQ-UHFFFAOYSA-N 450.991 7.179 50 10 JKGE Cc1ccc(-c2csc(C(C#N)=C(O)c3ccc(N4C(=O)c5ccccc5C4=O)cc3)n2)c(C)c1 2331308923 ATXDUJLZTQEMPG-UHFFFAOYSA-N 477.545 6.177 50 10 JKGE CCc1cccc(C)c1N1C[C@@H](C(O)=C(C#N)c2nc(-c3ccc(C(C)(C)C)cc3)cs2)CC1=O 2331331933 JUSRFEQEFFGXOR-NRFANRHFSA-N 485.653 6.824 50 10 JKGE CCOc1ccc(OCC)c(-c2csc(C(C#N)=C(O)[C@@H](C)N3C(=O)c4ccccc4C3=O)n2)c1 2331376154 JZTWYQDMZQPIRK-OAHLLOKOSA-N 489.553 5.085 50 10 JKGE CC[C@H](C)[C@@H](C(O)=C(C#N)c1nc(-c2ccc(C)c(C)c2)cs1)N1C(=O)c2ccccc2C1=O 2331385216 KGVFROGIXIOLBB-WNSKOXEYSA-N 471.582 5.931 50 10 JKGE N#CC(=Cc1ccc(OCc2ccccc2)cc1)c1nc(-c2ccc(Oc3ccccc3)cc2)cs1 2331464371 HEODBKWYGFKIIL-UHFFFAOYSA-N 486.596 8.246 50 10 JKGE Fc1c(Br)cc(Cl)c([C@H](Br)[C@@H]2CCC[C@H](F)C2)c1Br 2337084668 NXCKXCFUTGJROS-PTZCXBDSSA-N 481.400 6.968 50 10 JKGE CC1([C@@H](Br)c2c(Cl)cc(Br)c(F)c2Br)CCCCC1 2337114815 UQEFAFNKWSQQFI-ZDUSSCGKSA-N 477.437 7.411 50 10 JKGE CC(C)(C)[C@@H]1C[C@@H](CBr)CN(Cc2sccc2I)C1 2338763971 WKWLPHUSQANOKT-NWDGAFQWSA-N 456.231 5.232 50 10 JKGE Cc1cc(Br)c(F)c(Br)c1[C@@H](Br)[C@@H]1CC(C)(C)CO1 2339652759 CATBHEIQOGTEDZ-ONGXEEELSA-N 458.991 5.910 50 10 JKGE Cc1cc([C@@H](Cl)c2c(C)cc(Br)c(F)c2Br)c(Br)s1 2339659848 WXSGJTFNFSTXEF-LLVKDONJSA-N 491.445 7.120 50 10 JKGE COC(C)(C)C1([C@@H](Br)Cc2cc(Br)cc(Br)c2)CC1 2343565849 BQZBKFWFONPYFF-ZDUSSCGKSA-N 455.028 5.723 50 10 JKGE Cc1cc(Cl)c([C@@H](Cl)c2ccc(OCc3ccccc3)cc2Br)c(Cl)c1 2353075651 DGWRCOZFPHJSIH-NRFANRHFSA-N 470.621 7.972 50 10 JKGE FC(F)(F)c1cc(Cl)cc([C@@H](Cl)c2sc(Cl)cc2I)c1 2363883272 GPSRUCRCWQWWEU-SNVBAGLBSA-N 471.496 7.007 50 10 JKGE CC[C@@H]1OCC[C@H]1[C@@H](Br)c1c(C)cc(Br)c(OC)c1Br 2365187919 FWVXRLCEPFTYPS-SUZMYJTESA-N 471.027 5.780 50 10 JKGE COc1c(Br)cc(C)c([C@@H](Br)C2(C(C)C)CCC2)c1Br 2365192148 AOOWFADNVQNEOJ-OAHLLOKOSA-N 469.055 6.791 50 10 JKGE CCSc1sccc1[C@@H]1C(C#N)=C(N)N(c2ccccc2)C2=C1C(=O)C[C@@H](c1ccccc1)C2 9981230 XWGBXTDBRJFLPK-UQBPGWFLSA-N 483.662 6.559 50 10 JKGE CC(C)CCOc1cccc(C(=O)NNC(=O)COc2ccc(C(C)(C)C)cc2Br)c1 14644637 LGIWDGQHIUGWIK-UHFFFAOYSA-N 491.426 5.012 50 10 JKGE COc1ccc(/C(C#N)=C\c2ccc(OC(=O)COc3c(C)cccc3C)c(OC)c2)cc1OC 31902077 HSLMGHBGDFXBQT-XKZIYDEJSA-N 473.525 5.378 50 10 JKGE CCCCCCN1C(=O)C(C#N)=C(C)/C(=C\c2ccc(-c3ccc(Cl)c(Cl)c3)o2)C1=O 38604116 JQNFEELUVLQKKF-QGOAFFKASA-N 457.357 6.426 50 10 JKGE CCOc1ccc(-c2nn(-c3ccccc3)cc2/C=C2/C(=O)N(C3CCCC3)C(=O)C(C#N)=C2C)cc1 38607795 FLRBFUACXOLURJ-YZSQISJMSA-N 492.579 5.473 50 10 JKGE CCOc1cccc(C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@@H]3c2ccc(Cl)c(Cl)c2)c1 38655985 TYGLPLSUSILRPU-HSZRJFAPSA-N 481.335 5.829 50 10 JKGE Cc1cc(Cl)ccc1OCC(=O)Oc1ccc2c(c1)OC(N)=C(C#N)[C@@H]2c1cccc2ccccc12 38657893 JBCSYWOWNAZPPJ-MUUNZHRXSA-N 496.950 6.004 50 10 JKGE CCCCCOc1ccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4cccc([N+](=O)[O-])c4)ccc32)cc1 38685576 HTBZQPPTWIVKFI-SANMLTNESA-N 499.523 5.601 50 10 JKGE CCCCCOc1ccccc1[C@H]1C(C#N)=C(N)Oc2cc(OC(=O)COc3cccc(C)c3)ccc21 38686101 BAFMMGYHYPLLFZ-GDLZYMKVSA-N 498.579 5.767 50 10 JKGE O=C(CC[C@H](O)c1ccccc1)N/N=C\c1cc(Cl)c(OCc2ccccc2)c(Cl)c1 58889385 GQFSDCKCASMXML-CHVMBPBASA-N 457.357 5.536 50 10 JKGE CCOc1cc(/C=C(/C#N)C(=O)Nc2ccc(C)cc2)cc(Cl)c1OCc1ccc2ccccc2c1 59335584 SGFHMGXBUVKFAL-MYYYXRDXSA-N 496.994 7.325 50 10 JKGE Cc1ccc(N/C(SCc2cccc(F)c2)=C(\C#N)S(=O)(=O)c2ccccc2)cc1Cl 96482142 JGNVHSXZVXTJTM-FCQUAONHSA-N 472.994 6.299 50 10 JKGE CSc1ccc([C@H](Br)c2cc(Br)sc2Br)cc1 98021683 CVNPSUQGZJWSHV-NSHDSACASA-N 457.050 6.479 50 10 JKGE CCCCCCCCOc1ccccc1/C=N/NC(=O)COc1ccccc1Br 100959812 FHJHFKYLJWCIBM-KOEQRZSOSA-N 461.400 5.718 50 10 JKGE CCc1ccc(N2C(=O)[C@@H](Cc3cccc(Cl)c3)S/C2=C(/C#N)C(=O)NCc2ccco2)cc1 101242051 HJJPJSQGAROEOB-YMGIJWJESA-N 492.000 5.238 50 10 JKGE Fc1cc(Br)ccc1C[C@@H](CBr)c1cccc(Br)c1 118661297 PDSWZCXGGAQTEX-LBPRGKRZSA-N 450.971 6.072 50 10 JKGE Brc1cc([C@H](Br)c2csc3ccccc23)sc1Br 128224503 MAEXTUUWTURTOF-GFCCVEGCSA-N 467.045 6.972 50 10 JKGE Cc1cc(Br)c([C@H](Br)c2cccc(C(F)(F)F)c2)cc1Br 128779994 ARCXLXAMCJETSM-CQSZACIVSA-N 486.951 7.023 50 10 JKGE Clc1cc([C@@H](Br)c2cc(Br)ccc2Br)c(Cl)s1 161091658 BCDQUNSOQFFVHG-JTQLQIEISA-N 479.846 7.064 50 10 JKGE N#C/C(=C/Nc1ccc(Oc2ccccc2)cc1)C(=O)Nc1ccc(Cl)c(C(F)(F)F)c1 217249438 AQNNLRSAEIANBT-PFONDFGASA-N 457.839 6.609 50 10 JKGE Cc1cc([C@H](Br)c2cc(Br)c(Cl)s2)sc1Br 227846964 PYGZGQKWXSHHRF-QMMMGPOBSA-N 465.457 6.781 50 10 JKGE Clc1cc2c(c([C@@H](Br)c3ccc(I)c(Cl)c3)c1)OCC2 232345271 YKXTWRXASHIMDT-AWEZNQCLSA-N 483.958 6.017 50 10 JKGE Cc1cc(F)cc(C)c1[C@@H](Br)c1cc(Cl)ccc1I 235760437 KOHICIUVUSARNL-HNNXBMFYSA-N 453.520 6.185 50 10 JKGE Fc1cc(Br)c(Cl)cc1[C@H](Br)c1cc(Cl)sc1Cl 236230585 QQADQQLRNUSZAF-JTQLQIEISA-N 453.385 7.094 50 10 JKGE COc1cccc(C=NNC(=O)CSc2nnc(-c3ccc(C(C)(C)C)cc3)n2-c2ccccc2)c1 254308786 LBJYNXSWVNDUFT-UHFFFAOYSA-N 499.640 5.483 50 10 JKGE 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 257417003 FMQSPIDOGLAJKQ-HWIISMJHSA-N 458.683 5.813 50 10 JKGE biogenic Cc1cc(C)c([C@H](Br)c2ccc(Br)s2)c(C)c1Br 305954806 DLEAYTTXZNRVDM-CQSZACIVSA-N 453.037 6.683 50 10 JKGE ClCc1nc2cc(Cl)cnc2n1-c1ccc(I)c(Br)c1 380052248 RKNPDLDZPRBQQY-UHFFFAOYSA-N 482.934 5.180 50 10 JKGE COc1cc([C@@H](Br)c2cc(Br)oc2C)c(OC)cc1Br 396603931 QTWSYEKPVWFUPA-AWEZNQCLSA-N 468.967 5.615 50 10 JKGE CC(C)(C)[Si](C)(C)OCCc1ccccc1[C@@H]1COCCN1CCO[Si](C)(C)C(C)(C)C 616640216 FKOQWHXEXDUVCF-DEOSSOPVSA-N 479.854 6.646 50 10 JKGE CC(C)(C)OC(=O)Nc1ccccc1[C@@H]1CN(CCO[Si](C)(C)C(C)(C)C)CCCO1 616682432 ZFPDGMDNQUKMKK-NRFANRHFSA-N 450.696 5.819 50 10 JKGE Cl[C@H](c1ccccc1I)c1cc(Br)cc2c1OCCC2 688409908 DIPVTRCYGHPMGQ-OAHLLOKOSA-N 463.540 5.707 50 10 JKGE COc1ccc([C@H](Br)c2scc(Br)c2Br)cc1Cl 705439032 NKAHSKWIFCWGCK-JTQLQIEISA-N 475.427 6.419 50 10 JKGE CCOc1ccc([C@@H](O)CCC(=O)NN=Cc2ccc(-c3cccc(Br)c3)o2)cc1 725409823 KDEQHSCUPOFPCO-NRFANRHFSA-N 471.351 5.072 50 10 JKGE CCOc1cc(/C=C(/C#N)C(=O)Nc2ccc(OC)cc2)cc(Cl)c1OCc1ccccc1 1083887346 IOFBVEAGJDYEQY-MOSHPQCFSA-N 462.933 5.872 50 10 JKGE COc1ccc(Oc2ccc(C(F)(F)F)cc2[N+](=O)[O-])c(C=NNC(=O)c2cccc(F)c2)c1 1084001239 UWWKVKWWZVZYBX-UHFFFAOYSA-N 477.370 5.318 50 10 JKGE O=C(CCCCCNc1ccc(C(F)(F)F)cc1[N+](=O)[O-])NN=Cc1cccc(Cl)c1O 1084092071 BMWVYFGDXRJIDQ-UHFFFAOYSA-N 472.851 5.095 50 10 JKGE N#C/C(=C\c1cc(Br)ccc1OCc1ccccc1)C(=O)Nc1ccccc1F 1084186643 WXOGALJZZPHVOA-LDADJPATSA-N 451.295 5.713 50 10 JKGE Cc1ccc(NC(=O)/C(C#N)=C\c2ccc(-c3ccc(Br)c(C)c3)o2)cc1Cl 1084248871 MVSGKEJHBMOLJU-YBEGLDIGSA-N 455.739 6.525 50 10 JKGE Cc1cc(C)nc(SCC(=O)NN=Cc2cc(C)n(-c3cc(Cl)ccc3Cl)c2C)n1 1084325554 ATYFKWHVPXCYLY-UHFFFAOYSA-N 462.406 5.050 50 10 JKGE ClCc1cc(-c2ccc(I)cc2)nn1-c1cc(Cl)cc(Cl)c1 1614817489 UFVDCHQIWCOPBJ-UHFFFAOYSA-N 463.533 6.190 50 10 JKGE CCCc1nn(-c2ccc(Cl)c(Cl)c2)c2c1[C@H](c1ccc(O)c(OCC)c1)C(C#N)=C(N)O2 1865681487 ORTUCYPJMKZUSK-OAQYLSRUSA-N 485.371 5.454 50 10 JKGE CCCc1nn(Cc2ccc(Cl)c(Cl)c2)c2c1[C@@H](c1ccc(Cl)cc1)C(C#N)=C(N)O2 1865683932 QNYFTOZLWJGKHH-FQEVSTJZSA-N 473.791 6.062 50 10 JKGE Cc1ccc(-n2nc(-c3ccccc3)c3c2OC(N)=C(C#N)[C@H]3c2ccc(Cl)c(Cl)c2)cc1 1865685493 JSSRTDSGEPVNDX-JOCHJYFZSA-N 473.363 6.373 50 10 JKGE N#CC1=C(N)Oc2c(c(C(F)(F)F)nn2Cc2ccc(F)cc2)[C@@H]1c1c(Cl)cccc1Cl 1865685820 NLLAQQAGGZVBRI-HNNXBMFYSA-N 483.252 5.614 50 10 JKGE CCOc1ccc([C@@H]2C(C#N)=C(N)Oc3c2c(-c2ccccc2)nn3Cc2cccc(F)c2)cc1 1865692615 DHHFKQBCQPHWEC-XMMPIXPASA-N 466.516 5.354 50 10 JKGE CCN(Cc1ccccc1)c1ccc([C@@H]2C(C#N)=C(N)Oc3c2c(C)nn3-c2ccccc2Cl)cc1 1865707080 NIKIOVDTYCCGTF-HHHXNRCGSA-N 496.014 6.079 50 10 JKGE COc1ccccc1[C@H]1C(C#N)=C(N)Oc2c1c(-c1ccccc1)nn2Cc1cc(C)ccc1C 1865709779 GPEGRJUDAZLNFI-VWLOTQADSA-N 462.553 5.442 50 10 JKGE CCOc1cc(/C=C(\C#N)c2nc3cc(C)ccc3n2C)ccc1OCc1c(Cl)cccc1Cl 1872727897 GCZXVWXCRTWPFI-CPNJWEJPSA-N 492.406 7.230 50 10 JKGE N#C/C(=C(/O)c1ccc2c(c1)C(=O)N(C1CCCCC1)C2=O)c1nc(-c2ccccc2Cl)cs1 1872746767 XDKMIBACHGKXQL-ATJXCDBQSA-N 489.984 6.342 50 10 JKGE CCOc1ccc(OCC)c(-c2csc(/C(C#N)=C(\O)c3ccc(Cl)c([N+](=O)[O-])c3)n2)c1 1872754856 MDWVKCFVBXHNAA-PGMHBOJBSA-N 471.922 6.119 50 10 JKGE CCOc1ccc(/C=C/C(O)=C(\C#N)c2nc(-c3cc(Cl)c(OC)c(Cl)c3)cs2)cc1 1872755877 KJZDQCRFODNIEJ-FSJBDDGOSA-N 473.381 7.030 50 10 JKGE CCCCCCOc1ccc(/C=C(\C#N)c2nc(-c3cccc(Cl)c3)cs2)cc1OC 1872790239 UHKUQLXFHFNAAK-DEDYPNTBSA-N 453.007 7.495 50 10 JKGE CCOc1cc(/C=C(\C#N)c2nc(-c3ccc(C)cc3C)cs2)ccc1OCc1ccccc1 1872790560 QXLSKFCIYDLTDO-BUVRLJJBSA-N 466.606 7.469 50 10 JKGE CC(C)(O[C@](C)(CI)c1ccccc1Br)C(F)(F)F 1879196320 FZOJUXIJZCSKKH-GFCCVEGCSA-N 451.064 5.457 50 10 JKGE Cc1cc([C@@H](Cl)c2sc(Cl)cc2I)sc1Br 1901025750 JNUPJVXZNGCPTI-MRVPVSSYSA-N 468.006 6.467 50 10 JKGE CC(C)C(CBr)(CBr)Cc1sc(Cl)cc1Br 1903683179 OLYNBTVPCFQDER-UHFFFAOYSA-N 453.465 6.139 50 10 JKGE O=S(=O)(c1cc(Cl)c(Br)s1)N(Cc1ccccc1)[C@H](CCl)C1CC1 1915143295 MOCATGAOZRPSPT-CQSZACIVSA-N 469.253 5.372 50 10 JKGE O=C(c1cc(Cl)cc(Br)c1)N(Cc1ccccc1)[C@H](CBr)C1CC1 1915310686 BWONBNRGIKXLMW-GOSISDBHSA-N 471.620 5.918 50 10 JKGE Cc1cc(S(=O)(=O)N(Cc2ccccc2)C(C)(C)CBr)sc1Br 1915767498 VJMHZTAVXWRFOI-UHFFFAOYSA-N 481.275 5.183 50 10 JKGE Cc1cc([C@H](Br)c2cc(C3CC3)c(Br)s2)oc1Br 1917617854 SMBFPRFCTBAZLW-NSHDSACASA-N 455.009 6.536 50 10 JKGE Clc1ccc([C@H](Cl)c2c(Br)sc(Br)c2Cl)c(Cl)c1 1923037991 HGDKMTHENKVSHO-QMMMGPOBSA-N 469.840 7.562 50 10 JKGE CC[C@@H](CC(C)C)[C@H](Br)c1c(Br)sc(Br)c1Cl 1923047825 DSXFYXZQIWIFNM-CBAPKCEASA-N 467.492 7.435 50 10 JKGE Cc1ccc([C@@H](Br)c2c(Br)sc(Br)c2Cl)cc1 1923070443 AOVVLAVCDQFNFI-SECBINFHSA-N 459.428 6.719 50 10 JKGE Cc1cc(C)cc([C@H](Cl)c2c(Br)sc(Br)c2Br)c1 1924585000 GBWLHBUQBWGUPD-NSHDSACASA-N 473.455 6.981 50 10 JKGE Fc1cccc([C@H](Cl)c2c(Br)sc(Br)c2Br)c1F 1924591736 UDSLXFLOIUQAKU-QMMMGPOBSA-N 481.381 6.642 50 10 JKGE Cl[C@H](c1c(Br)sc(Br)c1Br)[C@]12CCCC[C@H]1C2 1924608228 FQXMMAQNSWZAEJ-RMUHFYJVSA-N 463.460 6.896 50 10 JKGE Clc1sc([C@@H](Cl)c2c(Br)cccc2Br)cc1Br 1945321550 HJGBJLXUCXPZFP-SNVBAGLBSA-N 479.846 7.017 50 10 JKGE COc1ccc([C@H](Br)c2csc(Br)c2Br)c(C)c1 2032958569 HGXIKNDCTOWCKH-NSHDSACASA-N 455.009 6.074 50 10 JKGE Cc1c(Br)sc([C@H](Br)CC2CC3(CCC3)C2)c1Br 2037982756 QOZATHAPHGCPTG-SNVBAGLBSA-N 457.069 6.988 50 10 JKGE CC(C)(C)C1([C@H](Cl)c2c(Br)sc(Br)c2Br)CCC1 2071923341 CNBUSSOYNJXZSF-SECBINFHSA-N 479.503 7.532 50 10 JKGE FC(F)(F)c1c(I)c(CCl)nn1-c1cc(C2CCCC2)ccn1 2078889366 OWJGPMNUMZRJLU-UHFFFAOYSA-N 455.649 5.287 50 10 JKGE CC(C)(C)c1ccc(-n2nc(CBr)c(I)c2C(F)(F)F)cn1 2078932374 DUDSAGFASQKQEX-UHFFFAOYSA-N 488.089 5.083 50 10 JKGE FC(F)(F)c1ccc(Cn2nc3c(c2CBr)[C@@H]2C[C@@H]2C3)c(Br)c1 2080534118 JYUYUCRNLWCPJG-MWLCHTKSSA-N 450.096 5.267 50 10 JKGE C[Si](C)(C)OC[C@@H](CC[C@H]1OC(=O)[C@H](O[Si](C)(C)C)[C@H]1O[Si](C)(C)C)O[Si](C)(C)C 2080628274 QWSFCKLIKXKBOI-AKHDSKFASA-N 494.926 5.204 50 10 JKGE Cc1c([C@@H](Cl)c2ccc(Br)cc2Br)c(Br)nn1C 2083319578 AGEZJCXJJDXZOY-NSHDSACASA-N 457.391 5.344 50 10 JKGE CC(C)(C)OC(=O)N1CCC(CI)(O[C@@H]2CCCC(F)(F)CC2)CC1 2085964164 SUYCKYLFRIOWKD-CQSZACIVSA-N 473.342 5.176 50 10 JKGE FC1(F)CCN(Cc2ccc(Br)cc2Br)C[C@H]1CBr 2092267186 OTLKNKNYDGPOHK-SNVBAGLBSA-N 461.970 5.064 50 10 JKGE COCC1([C@@H](Br)c2cc(Br)c(C)cc2Br)CCCC1 2094190641 SPXRPTOJPWIHLZ-AWEZNQCLSA-N 455.028 6.163 50 10 JKGE Cn1nc(C[C@@H](CBr)c2ccc(Br)cc2)c(Br)c1Cl 2096680562 DZOFVIHCBABVPK-VIFPVBQESA-N 471.418 5.320 50 10 JKGE ClCc1nc2cc(Br)c(Cl)cc2n1C1CCN(Cc2ccccc2)CC1 2103623191 JQCPMWZQAMETBH-UHFFFAOYSA-N 453.211 6.028 50 10 JKGE C[C@@]1([C@H](Cl)c2c(Br)sc(Br)c2Cl)CCCCC1(F)F 2111645924 GMVKOJYSBVAQMR-KCJUWKMLSA-N 457.005 7.422 50 10 JKGE FC(F)(F)C1(COc2c(Br)cc(Br)cc2CBr)CC1 2134780530 KIXQJXSWNFIUNK-UHFFFAOYSA-N 466.917 5.828 50 10 JKGE Cc1cc(Br)c(C)c([C@H](Br)[C@@H]2C[C@H]3CC[C@H]2C3)c1Br 2136379801 OGHBHWDDLUOYRG-PVTKRXDGSA-N 451.040 6.701 50 10 JKGE FC1(F)CN(Cc2ccccc2)CCCCN(c2ccc(CBr)c(Cl)c2)C1 2164876119 ZEDJXDAYWPFGKW-UHFFFAOYSA-N 457.790 5.973 50 10 JKGE CCOc1ccc([C@H](Br)c2nn(C)c(Cl)c2Br)c(Br)c1 2167049689 GYOPSOUKBFJGLC-JTQLQIEISA-N 487.417 5.482 50 10 JKGE Clc1sc([C@@H](Br)c2ccc(Cl)c3ccccc23)cc1Br 2172568708 FMUNJIHITZUOBX-AWEZNQCLSA-N 451.010 7.455 50 10 JKGE F[C@H](C(F)(F)F)C(F)(F)Oc1c(Br)cc(CBr)cc1Br 2175183586 RIZNITSJIDUXRJ-MRVPVSSYSA-N 494.849 5.979 50 10 JKGE Cc1c(Br)sc([C@H](Br)C2CC3(C2)C(F)(F)C32CC2)c1Br 2183920817 UTOVWZVUUFMINT-ZNZYBQRESA-N 491.033 6.843 50 10 JKGE Cc1cc(Br)c(C)c([C@H](Br)[C@H]2CC[C@H]3C[C@H]2CO3)c1Br 2201064432 JMNLAQUIYVUKAG-CENBSLRLSA-N 467.039 6.080 50 10 JKGE Cc1cc(Br)c(C)c([C@@H](Br)C[C@@H]2COC(C)(C)C2)c1Br 2201076542 GSSGLLDTQJTRGL-AAEUAGOBSA-N 469.055 6.470 50 10 JKGE C[C@H]1Cc2cc([C@@H](Cl)c3ccc(Br)cc3I)ccc2O1 2207274168 ZGMIIUZVDXUNJJ-XXFAHNHDSA-N 463.540 5.705 50 10 JKGE Cl[C@H](c1ccc2c(c1Br)CCO2)c1sccc1I 2222171842 GJCAHMSNQTUGJW-GFCCVEGCSA-N 455.542 5.378 50 10 JKGE Cc1cc([C@H](Br)c2ccc3c(c2Br)CCO3)ccc1Br 2238078064 ZLPYQNWNWKWCLV-HNNXBMFYSA-N 460.991 5.939 50 10 JKGE Clc1cc(CN2C[C@@H](Br)CC23CCCCC3)ccc1I 2241058296 YKNOSWQVRMBXLA-ZDUSSCGKSA-N 468.604 5.617 50 10 JKGE Brc1cc([C@H](Br)Cc2cnsc2)ccc1I 2242937885 AKZNTKUFAOEGSM-SECBINFHSA-N 472.971 5.189 50 10 JKGE CCN(C[C@](C)(CI)OCCCC[C@H]1C[C@@H]1C)C(=O)OC(C)(C)C 2248462178 BQZQKJVFZZEIGX-BXWFABGCSA-N 453.405 5.280 50 10 JKGE Fc1ccc([C@@H](Br)c2c(F)cccc2I)cc1Br 2255904598 CKWFCXUGEURRET-CYBMUJFWSA-N 487.907 5.816 50 10 JKGE Clc1cc(Br)ccc1C[C@@H](Br)c1cccc(Cl)c1Br 2267969591 QGCQHZZNDVWIEC-LLVKDONJSA-N 487.844 7.197 50 10 JKGE COc1cc(OC)c([C@H](Cl)c2cc(Br)sc2Br)cc1Cl 2279139397 LEFFAEDONRTEEV-LBPRGKRZSA-N 461.002 6.272 50 10 JKGE CN(C(=O)c1ccc(Cl)c(I)c1)[C@@H]1CCCCC[C@H]1Br 2283666201 QACMOGAZVNUAAH-BXUZGUMPSA-N 470.576 5.113 50 10 JKGE COc1c([C@H](Br)c2csc(Br)c2)cc(Br)c2c1CCC2 2284513066 ASYLFIHMECYQOJ-CQSZACIVSA-N 481.047 6.255 50 10 JKGE C[C@]1([C@@H](Br)c2c(F)cc(Br)c(F)c2Br)CCCC1(F)F 2288482406 FIDDOTUWYXHZLZ-NWDGAFQWSA-N 482.935 6.751 50 10 JKGE Fc1cccc([C@@H](Cl)c2c(F)cc(Br)c(F)c2Br)c1Br 2288497820 YMVZYIAGBFIYKL-GFCCVEGCSA-N 493.342 6.720 50 10 JKGE N#CC(=CNc1ccc2oc(=O)ccc2c1)c1nc(-c2ccc(Br)cc2)cs1 2295945861 JOLZJUBQBHLGOS-UHFFFAOYSA-N 450.317 5.656 50 10 JKGE CCOC(=O)c1c(-c2ccc(Cl)cc2)csc1NC(=O)C(C#N)=Cc1cc(OC)ccc1O 2296833171 IRXNIHTYAWBMOB-UHFFFAOYSA-N 482.945 5.505 50 10 JKGE CCOc1ccc(NC(=O)C(C#N)=Cc2cn(CCOc3ccc(Cl)c(C)c3)c3ccccc23)cc1 2296968786 DRGYPBIYGDYZEV-UHFFFAOYSA-N 499.998 6.627 50 10 JKGE COc1cc(C=C(C#N)c2ccc(C(=O)O)cc2)c(Br)cc1OCc1ccc(F)cc1 2297380621 ZOPRDEKLDNWDFB-UHFFFAOYSA-N 482.305 5.938 50 10 JKGE Brc1ccc(OCc2ccccc2)c([C@H](Br)[C@]23CCC[C@H]2CC3)c1 2299492641 IQSBMGVCDHYTLN-NDXORKPFSA-N 450.214 7.044 50 10 JKGE CC[C@@]1([C@@H](Br)c2ccc(OCc3ccccc3)cc2Br)CCCO1 2299508268 IYVNZDFUGCOZPU-PMACEKPBSA-N 454.202 6.423 50 10 JKGE CC(C)[C@@H]1CCc2c(Br)cc(OCc3ccccc3)cc2[C@H](Br)C1 2299517467 KWWUCSQIVZYDEM-OXQOHEQNSA-N 452.230 7.073 50 10 JKGE CC(C)(CC(F)(F)F)[C@@H](Br)c1sc(Cl)cc1I 2300953767 NXLZBMWPNNWVSU-QMMMGPOBSA-N 461.512 6.421 50 10 JKGE Brc1ccc(OCc2ccccc2)c([C@H](Br)[C@H]2O[C@H]3CC[C@H]2C3)c1 2307420200 JPHCEDFMYOJCFP-QHERXFFYSA-N 452.186 6.032 50 10 JKGE COc1cc(C=C(C#N)C(=O)Nc2ccc(Cl)cc2)ccc1OCc1ccc(Cl)c(Cl)c1 2313631924 ZEWMIMYTJZIQOR-UHFFFAOYSA-N 487.770 6.780 50 10 JKGE Cc1cccc(NC(=O)C(C#N)=Cc2cc(Br)ccc2OCc2cccc(F)c2)c1 2313636711 LIQJMPIRXXSWRC-UHFFFAOYSA-N 465.322 6.021 50 10 JKGE COc1cccc2cc(-c3nn(-c4ccccc4)cc3C=C(C#N)c3nc4ccccc4s3)oc12 2314450590 GDSTURYEUKLHMK-UHFFFAOYSA-N 474.545 6.968 50 10 JKGE N#CC(=C(O)c1ccc(I)cc1)c1nc2cc(C(F)(F)F)ccc2s1 2314482990 MKQABDFSILVIID-UHFFFAOYSA-N 472.229 5.870 50 10 JKGE Cc1nn(C)c([C@@H](Br)c2cc(Br)ccc2OCc2ccccc2)c1Cl 2314494320 HZPKFTYRHBXHGW-KRWDZBQOSA-N 484.619 6.208 50 10 JKGE Fc1cccc(Br)c1[C@@H](Cl)c1cc(Br)ccc1OCc1ccccc1 2314503255 QMVCYOPNGSAELM-FQEVSTJZSA-N 484.590 7.258 50 10 JKGE CCCCN1C(=O)C(=Cc2ccc(OCc3ccc(Cl)cc3)c(OCC)c2)C(C)=C(C#N)C1=O 2314609979 BFYLYZPWXQCRGI-UHFFFAOYSA-N 478.976 5.710 50 10 JKGE CCCCCOc1ccc(C=C2C(=O)N(Cc3ccccc3)C(=O)C(C#N)=C2C)cc1OCC 2314619072 ZINJJWMUKPKBPG-UHFFFAOYSA-N 458.558 5.447 50 10 JKGE CC[C@@](C)(C(F)F)[C@H](Br)c1cc(Br)c(Br)cc1F 2315001123 GMNAHWWWBHNZFC-ZYHUDNBSSA-N 452.934 6.468 50 10 JKGE N#CSc1ccc(NC(=O)C2CCN(C(=O)C=Cc3ccc(OCc4ccccc4)cc3)CC2)cc1 2321863089 HAYRLBYMYPSVJA-UHFFFAOYSA-N 497.620 5.729 50 10 JKGE CC(C)[C@H]1C[C@@H](Br)CN1Cc1ccc(I)c(Br)c1 2325213495 KRNIIUFQAMJXDM-BXUZGUMPSA-N 487.017 5.048 50 10 JKGE C[C@H](Br)CN(Cc1ccc(I)c(Br)c1)C1CCC1 2325215014 VJFMPUTYLZJCAQ-JTQLQIEISA-N 487.017 5.192 50 10 JKGE CCCC[C@@H](NC(=O)C=C(CC)c1ccc(OC)cc1)C(=O)Nc1ccc(SC#N)cc1 2329551170 MENCZUAYQUJALV-HSZRJFAPSA-N 451.592 5.375 50 10 JKGE Brc1cc([C@@H](Br)[C@@H]2C[C@@H]3CCCCCC[C@@H]32)c(Br)s1 2329818312 JYIJYMGMRRBHRP-DYNIEEOBSA-N 471.096 7.316 50 10 JKGE Cc1cc(C)c(C)c(-c2csc(C(C#N)=C(O)CCCOc3ccc(C(C)(C)C)cc3)n2)c1C 2331366516 ZVDZPKGLBCBMHW-UHFFFAOYSA-N 474.670 7.993 50 10 JKGE COc1ccc(-c2csc(C(C#N)=C(O)COc3ccc(OC)cc3C(C)(C)C)n2)c(OC)c1 2331385445 DSOWSBPWDAXNHG-UHFFFAOYSA-N 480.586 6.005 50 10 JKGE COc1ccc(-c2csc(C(C#N)=Cc3ccc(OCc4ccccc4)cc3)n2)c(C)c1C 2331467439 RKRMOAKVRZUSNE-UHFFFAOYSA-N 452.579 7.079 50 10 JKGE Cn1nc(Br)c(Br)c1[C@H](Cl)Cc1ccc(Br)cc1Cl 2338863316 ITMGYVYWKYZEFU-SECBINFHSA-N 491.836 5.884 50 10 JKGE Cc1cc(Br)c(F)c(Br)c1[C@H](Br)C1C2(CC2)C12CC2 2339680393 WCVPJYKDZDVRIW-NSHDSACASA-N 452.987 6.285 50 10 JKGE C[C@@H](c1ccncc1F)[C@H](Cl)c1cc(I)ccc1Br 2344698653 MAZMIXABHNQROK-RTHLEPHNSA-N 454.508 5.671 50 10 JKGE CCc1cc(Br)c(OC)c([C@@H](Br)c2ncsc2Br)c1 2353046572 VVUWFBHBHFTFPJ-SNVBAGLBSA-N 470.024 5.723 50 10 JKGE CC(C)c1nnsc1COc1c(Br)cc(Br)cc1CBr 2361132009 YDSDDNKIEPWECR-UHFFFAOYSA-N 485.039 5.660 50 10 JKGE C[C@]1(C(F)(F)F)C[C@@H]1[C@@H](Cl)c1c(Cl)cc(Br)c(F)c1Br 2362239131 KVWFOENMRNXQGD-UYIZORAZSA-N 458.902 6.873 50 10 JKGE Fc1ccc(Cl)cc1[C@@H](Cl)c1c(Cl)cc(Br)c(F)c1Br 2362241461 XJWVFBLPJXQEPE-GFCCVEGCSA-N 465.346 7.125 50 10 JKGE COc1c(Br)cc(C)c([C@H](Br)C2(CC(C)C)CC2)c1Br 2365194302 PRZYJNZPJTYJNT-HNNXBMFYSA-N 469.055 6.791 50 10 JKGE Cc1cc(Br)c(F)c(Br)c1[C@H](Br)[C@@H]1C[C@H]2CCCC[C@H]21 2365221579 VIJDQVCHOQKINH-ZHSDAYTOSA-N 469.030 6.921 50 10 JKGE CC(C)(C)OC(=O)N1CC[C@H](C(F)(F)F)N(C[C@](C)(CBr)C(C)(C)C)CC1 2380192374 RYHSXAAGVFMBDZ-KDOFPFPSSA-N 459.391 5.307 50 10 JKGE BrCc1cc(Br)c(O[C@@H]2CCC[C@@H]3CCO[C@H]32)c(Br)c1 2380396344 UJJSBZICAXMFDI-LERXQTSPSA-N 469.011 5.443 50 10 JKGE Cc1ccc(COc2c(CBr)ccc(C)c2Br)cc1Br 2381135379 PRAREGPZMOXSOK-UHFFFAOYSA-N 463.007 6.302 50 10 JKGE N#C/C(=C/c1cccc(OC(=O)/C=C/c2ccc(OCc3ccccc3)cc2)c1)c1ccc(Cl)cc1 31903069 KSSDALLTHRIOSP-SUMZBOJYSA-N 491.974 7.602 50 10 JKGE N#C/C(=C/c1ccc(-c2ccc(Cl)c(C(=O)O)c2)o1)C(=O)Nc1cccc(Br)c1 33301308 SAJOPDHUWHBXJQ-JYRVWZFOSA-N 471.694 5.606 50 10 JKGE N#C/C(=C/c1ccc(N2N=C(c3ccccc3)C[C@H]2c2ccccc2)cc1)c1[nH]nc(N)c1C#N 33568792 GILSZWQPYHYMGD-ABSINIAXSA-N 455.525 5.283 50 10 JKGE CC(=O)Oc1ccc(/C=C(\C#N)c2nc(-c3cc4cc(Br)ccc4oc3=O)cs2)cc1 33906266 WGDVQBJBTGSIOZ-LZYBPNLTSA-N 493.338 5.668 50 10 JKGE CCCCOc1ccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4cccc5ccccc45)ccc32)cc1 38650837 BHRQFWAXWDTKJH-GDLZYMKVSA-N 490.559 6.456 50 10 JKGE COc1ccc(OCC(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@H]3c2ccc(Cl)c(Cl)c2)cc1 38655841 AYCPTBMGPDEWJN-DEOSSOPVSA-N 497.334 5.205 50 10 JKGE C=CCOc1ccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4ccc(Cl)cc4)ccc32)cc1 38658021 KAWOWSTZZGJOLS-DEOSSOPVSA-N 458.901 5.342 50 10 JKGE C=CCOc1ccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4ccc(OC(C)C)cc4)ccc32)cc1 38658149 POVYBJFDEGIGJZ-MHZLTWQESA-N 482.536 5.476 50 10 JKGE Cc1ccc(COc2cccc([C@H]3C(C#N)=C(N)Oc4cc(OC(=O)c5ccco5)ccc43)c2)cc1 38686656 DTFGIBBTAKFJCT-HHHXNRCGSA-N 478.504 5.604 50 10 JKGE Cc1ccc(CNC(=O)c2oc3c(c2C)/C(=N/NC(=O)c2ccccc2Br)CCC3)cc1 40812818 LDBUYKVLWUJHTB-VFCFBJKWSA-N 494.389 5.059 50 10 JKGE Cc1cc(/C=N/NC(=O)Cc2cccc(C(F)(F)F)c2)c(C)n1-c1ccc(C(=O)O)c(Cl)c1 59248795 QHCZTYUXSIFGJM-KVSWJAHQSA-N 477.870 5.157 50 10 JKGE N#C/C(=C\c1cn(Cc2ccc(Cl)cc2)c2ccccc12)C(=O)Nc1cccc(C(F)(F)F)c1 59281831 MEAJEDJWODIFSC-LDADJPATSA-N 479.889 6.907 50 10 JKGE COc1cc(/C=C(/C#N)C(=O)Nc2ccccc2[N+](=O)[O-])ccc1OCc1ccccc1Cl 96401914 WCKIJCDULNWABV-PDGQHHTCSA-N 463.877 5.381 50 10 JKGE Fc1cc(Br)c(Cl)cc1[C@H](Cl)c1ccc(I)cc1 97895536 QFTTXQWNPSYVKN-CYBMUJFWSA-N 459.911 6.174 50 10 JKGE CC(C)OC(=O)c1ccc(NC(=O)[C@H](Br)[C@@H](Br)c2ccccc2)cc1 101051518 JUZNUSOWWHFHPJ-DLBZAZTESA-N 469.173 5.090 50 10 JKGE CCCN1C(=O)C(C#N)=C(C)/C(=C\c2cn(-c3ccccc3)nc2-c2ccc(OC(C)C)c(C)c2)C1=O 101332796 QCQHOZVOEYEGTF-PCLIKHOPSA-N 494.595 5.637 50 10 JKGE CCCCCCCCCCOC(=O)/C(C#N)=C\c1ccc(-c2ccc(Br)cc2)o1 102404659 DITWUSVWQUROML-JZJYNLBNSA-N 458.396 7.300 50 10 JKGE CCCOc1ccc(-c2nn(-c3ccccc3)cc2/C=C(/C#N)C(=O)NC2CCCCC2)cc1C 102859695 APGAVESUQGGXJX-NKFKGCMQSA-N 468.601 5.992 50 10 JKGE Clc1ccc(C(CBr)(CBr)Cc2ccc(Cl)c(Cl)c2)cc1 118876871 KPSYSNFQELGPTC-UHFFFAOYSA-N 471.447 6.917 50 10 JKGE Cc1ccc(F)cc1CC(CBr)(CBr)c1cccc(Br)c1 126887426 XVJRWGYISOGRKX-UHFFFAOYSA-N 479.025 6.167 50 10 JKGE Cc1cc(Br)cc(CBr)c1OCc1ccc(F)c(Br)c1 167025421 NGNGNIGCXJSGHY-UHFFFAOYSA-N 466.970 6.133 50 10 JKGE C[C@@H](C[C@H](CCc1ccc(CCl)cc1)c1ccc(CCl)cc1)c1ccc(CCl)cc1 206548430 QBVHDIKGDQTDMC-DCFHFQCYSA-N 459.888 8.813 50 10 JKGE CCN1C(=O)C(C#N)=C(C)/C(=C/c2cn(-c3ccccc3)nc2-c2ccc(OCC(C)C)cc2C)C1=O 214211887 XLLSODKOIBYEGA-YSMPRRRNSA-N 494.595 5.495 50 10 JKGE COc1ccc([C@H](Br)c2cc(C)cc(Br)c2)c(OC)c1Br 224846932 WGXISKHRRWYKAA-CQSZACIVSA-N 479.006 6.022 50 10 JKGE Cc1cc([C@@H](Br)c2cc(Br)ccc2Br)sc1Cl 226689490 BDNQWSKPSRBMQL-NSHDSACASA-N 459.428 6.719 50 10 JKGE CCOC1CC(C[C@H](Br)c2cc(Br)c(C)cc2Br)C1 232169822 LQSUHNCEBGMHFN-NWHVRFAMSA-N 455.028 6.161 50 10 JKGE Cc1sc(Br)cc1[C@@H](Br)c1ccc(Cl)c(Br)c1 235817061 KYCAKJZMGQILDQ-LBPRGKRZSA-N 459.428 6.719 50 10 JKGE Clc1ccc([C@H](Br)c2cc(I)cc3c2OCC3)c(Cl)c1 312243623 ATUSKJAGGFYPEE-AWEZNQCLSA-N 483.958 6.017 50 10 JKGE BrCc1cc(Br)cc(Br)c1OCCOc1ccccc1 312544919 WUCSDYXVBWKONX-UHFFFAOYSA-N 464.979 5.564 50 10 JKGE CC(C)(C)OC(=O)N1C[C@@H](CBr)[C@H](c2cc(Br)cc(Br)c2)C1 382705981 FNEIFOIRZNBGQU-RISCZKNCSA-N 498.053 5.557 50 10 JKGE COc1cc(F)c(Br)cc1[C@@H](Br)c1ccsc1Br 698549238 DWMXGRHMEBRVHM-NSHDSACASA-N 458.972 5.905 50 10 JKGE Brc1cc([C@@H](Br)c2ccsc2Br)c(Br)s1 698673097 SYNBEFAOHJIXFY-ZETCQYMHSA-N 495.881 6.581 50 10 JKGE NCc1ccc(NC(=O)[C@@H](c2cccs2)N(C(=O)CCl)c2cccc(C(F)(F)F)c2)cc1 725238530 ULIQAZNTWIBBBY-HXUWFJFHSA-N 481.927 5.177 50 10 JKGE COc1cc(/C=C(\C#N)c2ccc([N+](=O)[O-])cc2)cc(Cl)c1OCc1cccc2ccccc12 1083852054 YORPGINXPXCZNL-LPYMAVHISA-N 470.912 7.053 50 10 JKGE COc1cccc(C(CSc2nc3ccccc3o2)=NNC(=O)c2ccccc2Cl)c1 1084023613 AKHVOBVLPOWQLJ-UHFFFAOYSA-N 451.935 5.416 50 10 JKGE O=C(CSc1nc2ccccc2s1)NN=Cc1ccc(OC(=O)c2ccc(Cl)cc2)cc1 1084235379 OZXIJUUBPOHFEZ-UHFFFAOYSA-N 481.986 5.411 50 10 JKGE CCOc1cc(/C=C(/C#N)C(=O)NCc2cccs2)ccc1OCc1cccc2ccccc12 1084365437 LWHYOCYZHSPXRQ-HAHDFKILSA-N 468.578 6.102 50 10 JKGE C#CCOc1c(Br)cc(/C=C(\C#N)C(=O)Nc2cccc(Cl)c2Cl)cc1CC=C 1084599429 HUEKEVZGTQLTCX-LFIBNONCSA-N 490.184 6.042 50 10 JKGE CCCCCOc1ccc([C@H]2C(C#N)=C(N)Oc3c2c(C)nn3-c2ccccc2Cl)cc1OCC 1865690851 CPOSUENKIABHOT-VWLOTQADSA-N 493.007 6.020 50 10 JKGE CCOc1c(OC)cccc1[C@H]1C(C#N)=C(N)Oc2c1c(-c1ccccc1)nn2Cc1ccccc1 1865693343 NFHBKLYBCRKTQW-DEOSSOPVSA-N 478.552 5.224 50 10 JKGE CCCc1nn(Cc2ccc(Cl)c(Cl)c2)c2c1[C@H](c1ccc(OCC)cc1)C(C#N)=C(N)O2 1865693490 JYVHZCINRCXERS-JOCHJYFZSA-N 483.399 5.808 50 10 JKGE CCCOc1ccccc1[C@@H]1C(C#N)=C(N)Oc2c1c(C(F)(F)F)nn2Cc1ccc(Cl)cc1 1865702811 FVIJNUQTTSPBDI-LJQANCHMSA-N 488.897 5.611 50 10 JKGE CCCc1nn(Cc2ccc(Cl)cc2)c2c1[C@@H](c1ccc(Br)cc1)C(C#N)=C(N)O2 1865714982 SEIFRIQPIYCJMY-FQEVSTJZSA-N 483.797 5.518 50 10 JKGE CC[C@@H](NC(=O)[C@@H](CC(C)C)c1cccc(Br)c1)C(=O)Nc1ccc(SC#N)cc1 1867213512 QQSKUARDLKBNEV-LEWJYISDSA-N 488.451 5.685 50 10 JKGE CCc1nc(Nc2ccc(SC#N)cc2)cc(N2CCC[C@H](C(=O)CCCc3ccccc3)C2)n1 1868277968 OESDCMDRVWMQII-QFIPXVFZSA-N 485.657 6.164 50 10 JKGE C[C@H](Oc1ccc(Cl)cc1)/C(O)=C(\C#N)c1nc(-c2ccc(Cl)cc2Cl)cs1 1872744821 JLEDJSLMEQNSIK-WTAXECHQSA-N 451.762 7.030 50 10 JKGE COc1cc(OC)c(-c2csc(/C(C#N)=C(\O)c3ccc4nc(C)c(C)nc4c3)n2)cc1Cl 1872756314 HIOLSGIZQJYQSG-KQWNVCNZSA-N 478.961 5.991 50 10 JKGE Cc1ccccc1COc1ccc(/C=C(\C#N)c2nc(-c3ccc(C(C)C)cc3)cs2)cc1 1872791687 QLTBMBISLGETAR-WGOQTCKBSA-N 450.607 7.885 50 10 JKGE COc1ccc(-c2csc(/C(C#N)=C/c3cc4c(cc3[N+](=O)[O-])OCCO4)n2)cc1Cl 1872794618 MPEGJADJZBCFPR-MKMNVTDBSA-N 455.879 5.216 50 10 JKGE Brc1cc(Br)c([C@H](Br)[C@H]2C[C@@H]2Br)s1 1883537277 FSNKESFTWBPDOR-VJJSXZLQSA-N 453.819 5.493 50 10 JKGE C[C@@H](Cl)c1nc2cc(I)ccc2n1C[C@H]1C[C@H](Br)C1 1887942416 LIICHCVNOUSBHZ-OPRDCNLKSA-N 453.549 5.114 50 10 JKGE Cc1cc([C@@H](Br)c2cc(Br)ccc2OCc2ccccc2)cs1 1899858443 GPIBKYAQIGLOPV-LJQANCHMSA-N 452.211 6.882 50 10 JKGE O=C(c1cccc(Br)c1Br)N(Cc1ccccc1)C1(CCl)CCC1 1915751070 NXRQUXNRDLINJI-UHFFFAOYSA-N 471.620 6.016 50 10 JKGE Cl[C@H](c1ccccc1OCc1ccccc1)c1sc(Br)cc1Br 1922883261 MIBVKOGGKHYIHU-QGZVFWFLSA-N 472.629 7.180 50 10 JKGE Clc1c(Br)sc(Br)c1[C@H](Cl)[C@@H]1CC[C@@H]2CCCC[C@H]2C1 1923050191 RCMHUGLJNKWPGL-UXCLJVHYSA-N 461.090 7.813 50 10 JKGE CC[C@@H](c1ccccc1)[C@H](Br)c1c(Br)sc(Br)c1Cl 1923067486 DBLUTJSDOCHCCT-ONGXEEELSA-N 487.482 7.556 50 10 JKGE Cc1ccoc1[C@H](Br)c1c(Br)sc(Br)c1Br 1924576390 NNEZJSZSIAEWKU-ZCFIWIBFSA-N 493.840 6.421 50 10 JKGE Cl[C@H](c1c(Br)sc(Br)c1Br)[C@H]1CCCOC1 1924579154 ARXFDDRBZVHVMO-XNCJUZBTSA-N 453.421 5.742 50 10 JKGE Cl[C@H](c1c(Br)sc(Br)c1Br)[C@H]1C[C@H]2CC[C@H]1C2 1924583409 JMQHOTGRXQDVRH-QFNGTQGLSA-N 463.460 6.752 50 10 JKGE CC(C)C[C@@H]1C[C@@H]1[C@H](Cl)c1c(Br)sc(Br)c1Br 1924604678 GQFROIKTRBOECY-FWWHASMVSA-N 465.476 6.998 50 10 JKGE Cl[C@H](c1c(Br)sc(Br)c1Br)C1CC[C@@H]2C[C@H]2CC1 1924615923 ILRXGPRIVFOCTR-XLDPMVHQSA-N 477.487 7.142 50 10 JKGE Cc1ccc(S(=O)(=O)N(CCN(C)Cc2ccccc2)Cc2ccccc2)cc1CCl 1946827606 PYJFGFQGQVKELG-UHFFFAOYSA-N 457.039 5.057 50 10 JKGE C[C@H](Br)CN(Cc1ccccc1)Cc1cc(Br)ccc1Br 1957335612 GLGDLZPTTWEGTK-ZDUSSCGKSA-N 476.050 5.997 50 10 JKGE C[C@H](Br)CCOc1c(Br)cc(Br)cc1Br 1962371359 VXYKJKZPJUQHND-LURJTMIESA-N 465.805 5.526 50 10 JKGE COCC1([C@H](Br)c2c(Br)sc(Br)c2Cl)CC1 1975748132 VGHNQEXAZISQBJ-SSDOTTSWSA-N 453.421 5.789 50 10 JKGE CC[C@@H]([C@H](Br)c1c(Br)sc(Br)c1Cl)C(C)(F)F 2004478053 HUHXWUMTDXBBEP-NJGYIYPDSA-N 475.418 7.044 50 10 JKGE O=C(Nc1cc(Br)c(Br)c(Br)c1)[C@H]1C[C@@H](Br)C1 2020158997 JAASEDPIARBNRT-OLQVQODUSA-N 490.815 5.086 50 10 JKGE Cc1cc([C@@H](Cl)c2ccc(Br)cc2I)sc1Cl 2026222238 WCVPPZYGMGVYKU-NSHDSACASA-N 461.977 6.405 50 10 JKGE Clc1cccc(C[C@@H](Br)c2c(Br)cccc2Br)c1 2033091892 WTPDBRZQVBSKMM-CYBMUJFWSA-N 453.399 6.544 50 10 JKGE FC1(F)CCCCC[C@H]1[C@H](Br)c1cc(Br)c(Br)s1 2046372482 CRPUMJGJOZSNFQ-XVKPBYJWSA-N 467.011 6.925 50 10 JKGE Cc1c(Br)sc([C@@H](Br)[C@@H]2CC23CC(F)(F)C3)c1Br 2069067067 BBADWABOSLOSPV-XPUUQOCRSA-N 464.995 6.453 50 10 JKGE COc1cc([C@H](Cl)c2cc(Br)sc2Br)ccc1Br 2072060270 BKFHQOMIPPWMEJ-NSHDSACASA-N 475.427 6.372 50 10 JKGE FC(F)(F)c1c(Br)c(CBr)nn1Cc1ccc(OC2CC2)cc1 2079231980 KBZVTFBVYSFMIX-UHFFFAOYSA-N 454.084 5.149 50 10 JKGE Cc1cc(Br)c([C@H](Br)C2C[C@H]3CC[C@H](C2)C3)cc1Br 2094112710 ARHCKDMLGCWFDV-XMZIXOGTSA-N 451.040 6.782 50 10 JKGE Fc1cc(Cl)c(Br)cc1[C@@H](Br)Cc1ccccc1Br 2097839232 SSYVQSAJFVEVBH-NSHDSACASA-N 471.389 6.683 50 10 JKGE C[C@]1(C(F)(F)F)C[C@]1(CBr)Cc1c(Br)cccc1Br 2105517615 LSYLBBYPKOKFSU-RYUDHWBXSA-N 464.945 6.108 50 10 JKGE Brc1cccc(C[C@@H]2CCCCCCC[C@@H]2Br)c1Br 2112482589 CORXTGKCRJGJHO-JSGCOSHPSA-N 453.056 6.878 50 10 JKGE CN(Cc1cc(Cl)ccc1I)[C@@H]1CCCCC[C@H]1Br 2115933840 MWYVESCTFPPVMJ-UKRRQHHQSA-N 456.593 5.473 50 10 JKGE O=S(=O)(c1ccc(CCBr)s1)N(Cc1ccccc1)CC1CCCCC1 2123241531 KNPZDXIXMGDMPP-UHFFFAOYSA-N 456.471 5.457 50 10 JKGE Cc1ccc(F)c([C@@H](Br)c2ccc(Br)cc2Br)c1F 2138850124 GPEONWJEQGMFIN-ZDUSSCGKSA-N 454.934 6.283 50 10 JKGE COc1c(C)cc(Br)cc1[C@H](Br)c1cc(Br)c(Cl)s1 2141645222 HHBIFBVJCALEQS-NSHDSACASA-N 489.454 6.728 50 10 JKGE Fc1ccc(C[C@@H](Cl)c2ccc(Br)cc2I)c(F)c1 2142279051 LIZKZXRWLUXVCN-GFCCVEGCSA-N 457.483 5.855 50 10 JKGE ClC[C@@H](Cc1ccc(Br)cc1)Cc1ccc(Br)cc1Br 2148683870 ZYUIGBLIKGISKR-LBPRGKRZSA-N 481.453 6.614 50 10 JKGE Fc1cc(Br)c(Cl)cc1[C@H](Br)Cc1c(Cl)cccc1Cl 2161086141 VDCRPZGFUUKGQD-SECBINFHSA-N 461.383 7.227 50 10 JKGE O=C(c1ccc(Br)cc1Br)N1CC[C@H](Br)CC12CCC2 2169890236 VWNMAXXPPBHRNK-NSHDSACASA-N 466.011 5.134 50 10 JKGE BrCc1cc(Br)c(OCC2C[C@@H]3CC[C@H](C2)O3)c(Br)c1 2181273523 AQOJOUFCZYKNKE-YOGCLGLASA-N 469.011 5.443 50 10 JKGE COCc1cc(Br)c([C@@H](Br)c2ccc(Br)c(OC)c2)s1 2192150956 JWOSAPWLMWOJHO-ZDUSSCGKSA-N 485.035 5.912 50 10 JKGE CCCCCc1ccc([C@@H](Br)c2ccc(F)cc2I)s1 2197258599 OJENPFIKXAQKAT-INIZCTEOSA-N 467.185 6.709 50 10 JKGE CCCCCc1ccc([C@@H](Br)c2cc(Br)cc(Br)c2)s1 2197259340 VYWWLUMLJBZFOK-INIZCTEOSA-N 481.091 7.490 50 10 JKGE Cc1ccc(C(=O)N(Cc2ccccc2)C2(CCl)CCC2)cc1I 2212990926 QNGYZMLEXOHSLM-UHFFFAOYSA-N 453.751 5.404 50 10 JKGE Cc1ccc([C@H](Br)c2cc(Br)sc2C)cc1I 2212991805 CRAWSPGTOMGHTH-ZDUSSCGKSA-N 486.010 6.216 50 10 JKGE CCOc1ccc(Br)cc1[C@H](Br)c1cc(Br)c(C)s1 2226081261 AKJVATCCSWFRPZ-AWEZNQCLSA-N 469.036 6.465 50 10 JKGE CCN(C[C@](C)(CI)O[C@@H]1CCC[C@@H](C(F)(F)F)C1)C(=O)OC(C)(C)C 2231384768 OZYSLEYWRHDLMR-CPUCHLNUSA-N 493.348 5.575 50 10 JKGE O=C(c1cc(Br)sc1Br)N1CC[C@H]2[C@H](CCC[C@H]2Br)C1 2233740992 UHBIGKBCEFDLSF-WCABBAIRSA-N 486.067 5.299 50 10 JKGE Cc1cc(Br)c([C@H](Br)c2cc3c(s2)CCC3)c(C)c1Br 2235602149 CNRWRJVGEMSJFJ-MRXNPFEDSA-N 479.075 6.863 50 10 JKGE COc1ccc([C@H](Br)Cc2ccc(Br)cc2Cl)cc1Br 2237451142 OURWZFDXSGKSQV-GFCCVEGCSA-N 483.425 6.552 50 10 JKGE CC1(C)CN(C(=O)c2c(Br)cccc2Br)C[C@H]1CCBr 2238461402 ROYCCMXRDLKLAE-SNVBAGLBSA-N 468.027 5.095 50 10 JKGE Clc1cc(Br)c([C@@H](Br)c2cccc(Cl)c2Br)s1 2248097421 BPLSBFIRIWZIDU-JTQLQIEISA-N 479.846 7.064 50 10 JKGE Cl[C@H](c1c(Br)sc(Br)c1Br)[C@@]12CCC[C@H]1CC2 2251126308 LXKQBZYJNPXWEZ-PNLAZUSQSA-N 463.460 6.896 50 10 JKGE CC(C)CN(C[C@H](C)Br)C(=O)c1cc(Br)c(Br)s1 2259749005 KKAZRVMRSGIIMN-QMMMGPOBSA-N 462.045 5.155 50 10 JKGE FCc1ccc2c(c1)nc(CCl)n2CC1(N(Cc2ccccc2)Cc2ccccc2)COC1 2268288060 VQRVUOAMOSEEQN-UHFFFAOYSA-N 463.984 5.716 50 10 JKGE Cc1cc(Br)c([C@H](Br)[C@@H]2CCC[C@@H]2C(F)F)cc1Br 2270153151 BJGHTPUYZRTAKR-VYUIOLGVSA-N 460.982 6.637 50 10 JKGE Clc1sc(Cl)c([C@@H](Cl)Cc2cc(Br)cc(Br)c2)c1Cl 2277889819 BCBMJWXCDHLUPH-QMMMGPOBSA-N 483.867 7.756 50 10 JKGE Cc1cc(Br)c(C)c([C@H](Br)[C@H]2COC3(CCC3)C2)c1Br 2284852001 AXCDRKUURNEDPR-IAQYHMDHSA-N 467.039 6.224 50 10 JKGE CC1(C)[C@H]2CO[C@@]1([C@H](Br)c1c(Br)cc(Cl)c(Cl)c1Cl)C2 2289117881 VINCFJMGDFMZHU-BHKQTNGVSA-N 463.424 6.660 50 10 JKGE COc1cc(C=C(C#N)C(=O)Nc2ccc(C)c(C)c2)c(Br)cc1OCc1ccccc1 2293441552 HNGQSHFDSYKDBW-UHFFFAOYSA-N 491.385 6.199 50 10 JKGE COc1cc(C)c(Cl)cc1[C@@H](Br)c1ccc(I)c(C)c1 2295365603 RCGPNCBRRWKDQV-INIZCTEOSA-N 465.556 6.054 50 10 JKGE COc1cc(OC)c([C@@H](Br)c2ccc(Br)cc2)cc1Br 2295437889 RPGRJSWSBXBDKW-HNNXBMFYSA-N 464.979 5.713 50 10 JKGE N#CC(=Cc1ccc(OCc2ccccc2)cc1)c1nc(-c2ccc(Br)cc2)cs1 2297193187 DYPBWDMEIUMRSL-UHFFFAOYSA-N 473.395 7.216 50 10 JKGE Cc1coc(C)c1[C@H](Br)c1cc(Br)ccc1OCc1ccccc1 2299503275 DKBOLOHAKAAKFL-HXUWFJFHSA-N 450.170 6.722 50 10 JKGE C[C@@H]1C[C@H]([C@H](Br)c2ccc(OCc3ccccc3)cc2Br)[C@@H](C)O1 2299503368 FBBLMKWURMXVHL-BCSOIMDTSA-N 454.202 6.278 50 10 JKGE Brc1cc(OCc2ccccc2)ccc1[C@H](Br)C1CC(C2CC2)C1 2299535279 NIFDVPQTRNZGTL-MYKUNDNFSA-N 450.214 6.900 50 10 JKGE COc1cc(C=C(C#N)C(=O)Nc2cccc(Cl)c2Cl)ccc1OCc1cccc(C)c1 2313571182 PGICKEYFXJIPTN-UHFFFAOYSA-N 467.352 6.435 50 10 JKGE CCOc1cc(C=C(C#N)C(=O)Nc2cccc3ccccc23)ccc1OCc1ccccc1Cl 2313681224 VHVMHURSQIXXKD-UHFFFAOYSA-N 482.967 7.017 50 10 JKGE FC1(F)[C@H]([C@H](Br)c2cc(Br)ccc2OCc2ccccc2)C12CCC2 2314456206 VFIXEKCYIDYJFJ-QZTJIDSGSA-N 472.167 6.900 50 10 JKGE CCCN[C@@H](c1cc(Br)ccc1OCc1ccccc1)[C@H]1C[C@H](Br)C1 2314489863 LTQDQQRBCXXEMR-HGHGUNKESA-N 467.245 6.242 50 10 JKGE Cc1ccc([C@@H](Br)c2ccc(OCc3ccccc3)cc2Br)c(Cl)c1 2314499620 DXRAUYUGWRMASY-NRFANRHFSA-N 480.627 7.474 50 10 JKGE Cc1c(Cl)sc(Cl)c1[C@H](Br)c1c(F)cccc1I 2314504672 BHFQOXKGLVQXJS-JTQLQIEISA-N 479.967 6.591 50 10 JKGE Cc1ccc(NC(=O)C(C#N)=C2S[C@@H](Cc3cccc(C)c3)C(=O)N2c2ccc(C(C)C)cc2)cc1 2314592137 MLFLEEULHOCYLY-MHZLTWQESA-N 495.648 6.492 50 10 JKGE Fc1c(Br)cc(Cl)c([C@H](Br)[C@@H]2[C@H]3CCC[C@H]32)c1Br 2315452233 AABAAMFLJJNZTN-DWCSTSAWSA-N 461.394 6.486 50 10 JKGE Cn1nc(Br)c(Br)c1[C@H](Cl)Cc1ccc(Br)cc1 2316701223 LOJCROSAIGALLC-SECBINFHSA-N 457.391 5.230 50 10 JKGE CCOc1cc(C=C(C#N)c2nc3cc(C)ccc3n2C)ccc1OCc1cccc(Cl)c1 2331018612 WDPTXAVASHNPFJ-UHFFFAOYSA-N 457.961 6.577 50 10 JKGE COc1ccc(-c2csc(C(C#N)=C(O)[C@H](C)Oc3ccc(C(C)C)cc3)n2)cc1OC 2331242487 HQCGJEQTKYGRFQ-INIZCTEOSA-N 450.560 6.211 50 10 JKGE N#CC(=C(O)c1cc([N+](=O)[O-])ccc1Cl)c1nc(-c2ccc(Br)cc2)cs1 2331266179 VVQRTEISPVAWLU-UHFFFAOYSA-N 462.712 6.084 50 10 JKGE COc1cc(C(O)=C(C#N)c2nc(-c3ccc(C(C)(C)C)cc3)cs2)c([N+](=O)[O-])cc1OC 2331332788 NBINWBWGAPWRJS-UHFFFAOYSA-N 465.531 5.983 50 10 JKGE CCOC(=O)c1ccc(N2C[C@H](C(O)=C(C#N)c3nc(-c4ccc(C)c(C)c4)cs3)CC2=O)cc1 2331382550 FGILTYCQPBGOEK-HXUWFJFHSA-N 487.581 5.449 50 10 JKGE COc1c(Cl)cc(-c2csc(C(C#N)=C(O)c3cccc(OC(C)=O)c3)n2)cc1Cl 2331396457 AYIXVNXENXHXMN-UHFFFAOYSA-N 461.326 6.001 50 10 JKGE COc1ccc(-c2csc(C(C#N)=C(O)Cc3ccc(NC(C)=O)cc3)n2)c2ccccc12 2331404974 AFKNWRMORKRSHU-UHFFFAOYSA-N 455.539 5.966 50 10 JKGE COc1ccc(-c2csc(C(C#N)=C(O)c3ccc(N(C)C)c([N+](=O)[O-])c3)n2)c2ccccc12 2331408169 DOEHMRQJNHJFCV-UHFFFAOYSA-N 472.526 5.896 50 10 JKGE CCOc1cc(C=C(C#N)c2nc(-c3ccc(C)c(C)c3)cs2)ccc1OCc1ccc(C)cc1 2331472680 NDQREFXFEGTMNV-UHFFFAOYSA-N 480.633 7.777 50 10 JKGE COc1cc(C=C(C#N)c2nc(-c3cc(Cl)ccc3Cl)cs2)cc(Br)c1O 2331488523 BVAPQDXFIFITEH-UHFFFAOYSA-N 482.186 6.658 50 10 JKGE FC(F)(F)c1ccc([C@@H](Br)c2cc(Br)ccc2OCc2ccccc2)o1 2336077760 KQZVTDZBSOMOAJ-SFHVURJKSA-N 490.113 7.124 50 10 JKGE Clc1ccc(CBr)c(OCc2cc(Br)cc(Br)c2)c1 2337068461 BCHGKTGOKOGLQX-UHFFFAOYSA-N 469.398 6.339 50 10 JKGE CC1(C[C@H](Br)c2c(Cl)cc(Br)c(F)c2Br)CCCC1 2337084969 RXOBLPZYDZULRS-VIFPVBQESA-N 477.437 7.411 50 10 JKGE Fc1c(Br)cc(Cl)c([C@@H](Br)[C@H]2CCCC2(F)F)c1Br 2337092017 KFIMKXYQIHYHOH-ANLVUFKYSA-N 485.363 6.876 50 10 JKGE CC(C)(C)c1ccccc1[C@@H](Br)c1sc(Cl)cc1I 2338774333 WYBJHRUEECONIO-CYBMUJFWSA-N 469.613 6.788 50 10 JKGE Cc1cc(F)c([C@H](Br)c2c(Br)c(Br)nn2C)cc1C 2338859100 BZEINEOGPTYFCM-JTQLQIEISA-N 454.963 5.185 50 10 JKGE Cc1cc([C@H](Cl)c2c(Br)c(Br)nn2C)c(C)cc1Br 2338859830 IKBYIKYCYAIDFX-NSHDSACASA-N 471.418 5.653 50 10 JKGE Fc1ccc(C[C@H](Br)c2ccc(Cl)cc2I)cc1F 2340059103 VDMRPCAGTGTEGP-NSHDSACASA-N 457.483 5.902 50 10 JKGE Cc1cc(Br)c(C(C)C)cc1[C@@H](Br)c1cc(Br)sn1 2352785668 LVMBZLRARBRGNT-CQSZACIVSA-N 468.052 6.584 50 10 JKGE Cc1cc(Br)c(C(C)C)cc1[C@@H](Br)c1ccc(Br)s1 2352798222 WUCNVVJYPSVDRM-OAHLLOKOSA-N 467.064 7.189 50 10 JKGE Brc1ccc(OCc2ccccc2)c([C@H](Br)[C@@H]2CCC[C@H]3CCCC[C@H]32)c1 2361193811 CNCWTYZJEQLAEA-UMCMBGNQSA-N 492.295 8.071 50 10 JKGE CC1(C)CO[C@H](C[C@H](Br)c2c(Cl)cc(Br)c(F)c2Br)C1 2362225532 QHPLICHXYQCQAQ-SFYZADRCSA-N 493.436 6.645 50 10 JKGE Cc1c([C@H](Br)c2cc(Br)c(Cl)cc2F)ccc(Cl)c1Cl 2364436675 HOKLKJBONUPRBV-ZDUSSCGKSA-N 461.383 7.341 50 10 JKGE Cc1cc(Br)c(F)c(Br)c1[C@H](Br)CC1CC(C(F)F)C1 2365222902 HZGOCQLENOOIPG-AMDVSUOASA-N 478.972 6.777 50 10 JKGE CCN(C[C@@](C)(CBr)OCc1cc(Cl)c(OC)c(Cl)c1)C(=O)OC(C)(C)C 2365590304 FGHYXUXPPRERQJ-LJQANCHMSA-N 485.246 5.929 50 10 JKGE BrCC1(COCc2c(Br)cccc2Br)CCCCCC1 2366179570 UCDPKDMJFUSGQZ-UHFFFAOYSA-N 469.055 6.464 50 10 JKGE Fc1c(Br)cc(Cl)c([C@H](Br)C[C@H]2CC[C@H]2C2CC2)c1Br 2367954288 YSMNONHUOLCLCJ-KXUCPTDWSA-N 489.448 7.266 50 10 JKGE O=C(CNc1ccc(Cl)cc1)N/N=C/c1ccccc1OCc1cccc(Br)c1 1947135 AGJKBWIIWOKPDQ-LGJNPRDNSA-N 472.770 5.244 50 10 JKGE N#CC1=C2N=C(N)c3ccccc3N2C2=C(C(=O)C[C@H](c3ccccc3)C2)[C@H]1c1ccccc1F 3654425 DGMOWYHWAMKBMU-DWXRJYCRSA-N 460.512 5.284 50 10 JKGE Cc1ccc(-c2n[nH]c3c2[C@H](c2ccc(OCc4ccc(F)cc4)cc2)C(C#N)=C(N)O3)cc1 10013827 LCGJVVPNMSTNBE-HSZRJFAPSA-N 452.489 5.321 50 10 JKGE Cc1ccc(S(=O)(=O)/C(C#N)=C\c2c(Oc3ccc(C(C)(C)C)cc3)nc3ccccn3c2=O)cc1 33774981 HXCDWXICKWXVFM-QJOMJCCJSA-N 499.592 5.431 50 10 JKGE Cc1ccc(NC(=O)/C(C#N)=C2/S[C@@H](Cc3ccccc3Cl)C(=O)N2c2ccccc2C)cc1 33900683 ICNRSZRZGCHKME-XYZDCVNTSA-N 488.012 6.022 50 10 JKGE COc1ccc(Cl)cc1NC(=O)/C(C#N)=C\c1ccc(OCc2ccc3c(c2)OCO3)c(OC)c1 33932341 ISBHWOQQDZUDLC-NVMNQCDNSA-N 492.915 5.211 50 10 JKGE N#CC1=C(N)Oc2cc(OC(=O)c3ccc(Br)cc3)ccc2[C@@H]1c1ccccc1F 38651887 GHLWPTXMUUIAHD-NRFANRHFSA-N 465.278 5.026 50 10 JKGE C=CCOc1ccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4ccc(OCC(C)C)cc4)ccc32)cc1 38658173 YRRVLNDTUIGPQS-NDEPHWFRSA-N 496.563 5.724 50 10 JKGE CCCCOc1cccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)Cc4ccc(OC)cc4)ccc32)c1 38685252 CGPGPFNJPQTXKH-NDEPHWFRSA-N 484.552 5.240 50 10 JKGE Cc1ccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4oc5cc(C)c(C)cc5c4C)ccc32)cc1 38686974 CVDBPVAWOGVRKD-AREMUKBSSA-N 464.521 6.104 50 10 JKGE Cc1ccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4oc5c(C)c(C)ccc5c4C)ccc32)cc1 38687017 HAGDSKTWTDUKGY-RUZDIDTESA-N 464.521 6.104 50 10 JKGE CCCCCOc1cccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)Cc4ccccc4)ccc32)c1 40530138 PPAXLPURSBAGQE-NDEPHWFRSA-N 468.553 5.622 50 10 JKGE Cc1c(C(=O)Oc2ccc3ccccc3c2)oc2c1/C(=N/NC(=O)c1ccccc1F)CCC2 40812355 ZUVHHITUJWKLLM-QUPMIFSKSA-N 456.473 5.570 50 10 JKGE Cc1c(C(=O)Nc2ccccc2Cl)oc2c1/C(=N/NC(=O)c1cccc(Cl)c1)CCC2 40813345 AVPNKEAQINBUDN-OVVQPSECSA-N 456.329 5.618 50 10 JKGE Cc1c(C(=O)Nc2ccc(Cl)cc2)oc2c1/C(=N/NC(=O)c1cccc(Cl)c1)CCC2 40813353 HLQCFAXRQSASMS-OVVQPSECSA-N 456.329 5.618 50 10 JKGE Cc1cc(OCC(=O)N/N=C/c2ccc(Br)cc2)c(Br)c(C)c1Cl 40950669 HVYDFBJTSPSLEZ-ODCIPOBUSA-N 474.580 5.011 50 10 JKGE Cc1ccc(-c2ccccc2)n1-c1ccc(C(=O)N/N=C/c2ccc(N3CCCCC3)o2)cc1 59305500 VZNPQKNDUFPPTJ-ZTKZIYFRSA-N 452.558 5.800 50 10 JKGE O=C(N/N=C/c1ccc(OCc2ccc(Cl)cc2)cc1)C(O)(c1ccccc1)c1ccccc1 59921758 BYJRDZKTALAPLO-NDZAJKAJSA-N 470.956 5.305 50 10 JKGE Cc1ccc(CS/C(Nc2cccc(Cl)c2C)=C(/C#N)S(=O)(=O)c2ccccc2)c(C)c1 96482153 JPXBWEHMDWEBAU-IZHYLOQSSA-N 483.058 6.777 50 10 JKGE CCOc1ccc(N2C(=O)[C@H](Cc3ccccc3)S/C2=C(/C#N)C(=O)Nc2ccc(C)cc2)cc1 101246192 NNNKILCZRJVWJS-UZEPBSNMSA-N 483.593 5.459 50 10 JKGE CCOC(=O)c1c(N/C=C(\C#N)c2nc(-c3cccs3)cs2)sc(C(=O)OC)c1C 102924521 PVZIIQZKMZEVHU-FMIVXFBMSA-N 459.574 5.181 50 10 JKGE CCOC(=O)c1ccc(NC(=O)/C(C#N)=C\c2c(-c3ccccc3)nc3c(C)cccn23)cc1 102925670 OIQSVVOQOIHGRD-PGMHBOJBSA-N 450.498 5.032 50 10 JKGE COc1ccc2cc([C@H](Br)c3cccc(I)c3)ccc2c1 109880156 JTMHFIKNLLPRNS-GOSISDBHSA-N 453.117 5.937 50 10 JKGE O=c1[nH]c2cc(Br)c([C@H](Br)c3ccc(F)cc3Br)cc2[nH]1 109884349 GOZUVFUCRVSPFL-CYBMUJFWSA-N 478.941 5.005 50 10 JKGE COc1cc(C)c(Br)cc1[C@@H](Br)c1ccc(Br)cc1C 115867031 ALKSTTCRPBRSBX-INIZCTEOSA-N 463.007 6.321 50 10 JKGE COc1cc([C@H](Br)c2ccc(Br)cc2Cl)c(OC)cc1Br 134301657 VHWXJHXTFQDAKJ-OAHLLOKOSA-N 499.424 6.367 50 10 JKGE CC(C)Oc1ccc([C@H](Br)c2cc(Br)ccc2Br)cc1 161087547 YQDIXEPSNFQLDK-INIZCTEOSA-N 463.007 6.483 50 10 JKGE Cc1ccc(Br)c([C@H](Br)c2csc3c(Br)cccc23)c1 163507214 MAKNDCNXEHJQRZ-HNNXBMFYSA-N 475.043 7.219 50 10 JKGE CC[C@@H](NC(=O)/C(C#N)=C\Nc1ccc(C)cc1Br)c1ccc2c(c1)CCCC2 217192709 RGUYXARAQKKEOG-MNJKBJKMSA-N 452.396 5.723 50 10 JKGE Cc1sc([C@H](Br)c2cccc(Br)c2Cl)cc1Br 227838202 GGMAFUDXQKMQDB-LLVKDONJSA-N 459.428 6.719 50 10 JKGE Clc1ccc(Br)cc1[C@@H](Br)c1cc(Br)c(Cl)s1 227845851 ZTDPYNYHMGGQES-SNVBAGLBSA-N 479.846 7.064 50 10 JKGE Fc1ccc([C@@H](Cl)c2csc3c(Br)cccc23)c(I)c1 236191039 JQOMKPOKQAQWLI-CQSZACIVSA-N 481.555 6.736 50 10 JKGE Fc1cc(Br)c(Cl)cc1[C@H](Cl)c1cc(Br)sc1Br 236232259 RUFFDPAYYYRSQG-JTQLQIEISA-N 497.836 7.156 50 10 JKGE C/C(C=NNC(=O)CSc1nnc(-c2ccc(C)cc2)n1C1CCCCC1)=C\c1ccccc1 254700848 FOOCKZIBONLFSV-FKDSPDOMSA-N 473.646 6.056 50 10 JKGE CC(C)(C)OC(=O)[C@H](CCBr)NC(=O)OCC1c2ccccc2-c2ccccc21 309696032 SNHKLINVPJFJDM-FQEVSTJZSA-N 460.368 5.020 50 10 JKGE CCCCCCCCCOc1c(Br)cc(Br)cc1CBr 312791051 OTYZQZICXWNHCL-UHFFFAOYSA-N 471.071 7.236 50 10 JKGE COc1cc(Br)ccc1Oc1cc(Br)ccc1CBr 382292278 JADZFZADEFTOPO-UHFFFAOYSA-N 450.952 5.907 50 10 JKGE CCCCCCCCCCCCCC[C@@H](Br)CCCOS(=O)(=O)c1ccccc1 585667327 DVPZQLORALLCAR-HSZRJFAPSA-N 489.560 8.027 50 10 JKGE CC(C)(C)[Si](C)(C)OCCc1ccc([C@H]2CN(S(=O)(=O)c3ccccc3)CCCO2)cc1 616659599 PRUNXAWRJDYAME-XMMPIXPASA-N 475.727 5.403 50 10 JKGE CCn1cc([C@H](Br)c2cc(F)c(Br)cc2F)nc1Br 698367938 CZOZTXDWNYBNBX-LLVKDONJSA-N 458.926 5.191 50 10 JKGE CCOc1ccc(Br)cc1[C@H](Br)c1ncsc1Br 698648819 SESYEXDHMOUCTA-JTQLQIEISA-N 455.997 5.551 50 10 JKGE COc1ccc(C[C@@H](Br)c2scc(Br)c2Br)cc1 705483580 CVVPJDJSBSELFQ-SNVBAGLBSA-N 455.009 5.960 50 10 JKGE CC[C@H](C[C@@H](C)Br)Nc1ncc(C(F)(F)F)cc1I 716875372 WUJBVLLBLLDYPB-VXNVDRBHSA-N 451.068 5.069 50 10 JKGE Cc1ncc(COc2c(Br)cc(CBr)cc2Br)s1 718962634 UZXRWRDYABRWII-UHFFFAOYSA-N 455.997 5.450 50 10 JKGE Cc1cc(NC(=O)NN=Cc2ccc(-c3ccc(C)c(C(=O)O)c3)o2)ccc1Br 1084009757 GIRSKHHJUGXVAR-UHFFFAOYSA-N 456.296 5.180 50 10 JKGE N#C/C(=C\c1ccccc1OCc1ccc(Cl)c(Cl)c1)C(=O)N1CCN(c2ccccc2)CC1 1084010401 CGJHFJJGJQKAIS-OQKWZONESA-N 492.406 5.828 50 10 JKGE COc1ccc(CSCC(=O)NN=Cc2cc(C)n(-c3ccc(Cl)c(Cl)c3)c2C)cc1 1084192750 DWCVCNVRZRYHDQ-UHFFFAOYSA-N 476.429 5.793 50 10 JKGE O=C(CC[C@H](O)c1ccccc1)NN=Cc1cc(Cl)c(OCc2ccc(F)cc2)c(Cl)c1 1084470158 LZQZSBXWTQSGGJ-QFIPXVFZSA-N 475.347 5.675 50 10 JKGE CCOc1ccc([C@@H](O)CCC(=O)NN=Cc2cc(C)n(-c3cccc(Cl)c3C)c2C)cc1 1084518481 WPHHVRYRNNTOSX-VWLOTQADSA-N 467.997 5.419 50 10 JKGE CCOc1ccc2nc(Sc3ccc(C=NNC(=O)c4ccc(Cl)cc4Cl)o3)sc2c1 1084570570 ROXWWVUALYSPPO-UHFFFAOYSA-N 492.409 6.510 50 10 JKGE CCCCCOc1ccc([C@@H]2CN(C(=O)OC(C)(C)C)C[C@H]2CI)cc1 1614689364 YMZVYULJUMUPSU-MJGOQNOKSA-N 473.395 5.641 50 10 JKGE Cc1c(C(=O)Oc2ccc3ccccc3c2)oc2c1C(=NNC(=O)c1ccc(Cl)cc1)CCC2 1772743703 JMKQUWHMJPZIKN-UHFFFAOYSA-N 472.928 6.084 50 10 JKGE Cc1cccc(C(=O)NN=C2CCCc3oc(C(=O)Oc4ccc(Cl)cc4Cl)c(C)c32)c1 1772745184 UQLFTCSGCNRWIN-UHFFFAOYSA-N 471.340 5.893 50 10 JKGE C=C1CC[C@H](O[Si](C)(C)C(C)(C)C)C/C1=C/C=C1\CCC[C@]2(C)[C@@H]1CC[C@H]2[C@@H](C)CCCC(C)C 1777003580 DWIUSINKAVTSCC-PSRLSNNMSA-N 498.912 10.649 50 10 JKGE CCCc1nn(Cc2cc(C)ccc2C)c2c1[C@H](c1cccc(Br)c1)C(C#N)=C(N)O2 1865683624 GJEXVQNUNXZKMX-JOCHJYFZSA-N 477.406 5.481 50 10 JKGE N#CC1=C(N)Oc2c(c(C(F)(F)F)nn2-c2ccc(Cl)cc2)[C@@H]1c1cccc(Br)c1 1865684811 ZBFOLNUURSFCGM-OAHLLOKOSA-N 495.686 5.525 50 10 JKGE COc1ccc(-c2nn(Cc3ccc(F)cc3)c3c2[C@@H](c2ccccc2Cl)C(C#N)=C(N)O3)cc1 1865686135 RTRGLGFNKLVDAA-QHCPKHFHSA-N 486.934 5.618 50 10 JKGE CCOc1cccc([C@@H]2C(C#N)=C(N)Oc3c2c(-c2ccccc2)nn3-c2ccccc2Cl)c1 1865689718 CVLGSJZPWJNEIS-HSZRJFAPSA-N 468.944 5.810 50 10 JKGE CCOc1ccc([C@@H]2C(C#N)=C(N)Oc3c2c(C)nn3Cc2ccc(Cl)c(Cl)c2)cc1 1865693975 NOFWJTOLUWFRLC-OAQYLSRUSA-N 455.345 5.164 50 10 JKGE CCOc1ccc([C@H]2C(C#N)=C(N)Oc3c2c(C(F)(F)F)nn3-c2cccc3ccccc23)cc1 1865694076 PEUCNIAFHLBUOH-NRFANRHFSA-N 476.458 5.661 50 10 JKGE COc1cc([C@@H]2C(C#N)=C(N)Oc3c2c(C)nn3-c2ccccc2)ccc1OCCCc1ccccc1 1865696614 IPSSRMJGLHSFDQ-MUUNZHRXSA-N 492.579 5.419 50 10 JKGE N#CC1=C(N)Oc2c(c(C(F)(F)F)nn2-c2ccc(Cl)cc2)[C@H]1c1ccc(F)cc1F 1865702234 QDJZUILALJZWKP-HNNXBMFYSA-N 452.770 5.041 50 10 JKGE CCC[C@H](NC(=O)Cc1csc(COc2ccc(C)cc2)n1)C(=O)Nc1ccc(SC#N)cc1 1866586322 RIOKYCUFKBPSFZ-QFIPXVFZSA-N 494.642 5.070 50 10 JKGE CC(C)c1nc(Nc2ccc(SC#N)cc2)cc(N2CCC(c3nc4c(s3)CCCC4)CC2)n1 1868231955 YEMBSIYNHBLIGX-UHFFFAOYSA-N 490.702 6.636 50 10 JKGE CCn1cc(/C=C2\Oc3cc(OC(=O)C(Cl)Cl)cc(C)c3C2=O)c2cc(OC)ccc21 1871386164 HGBUSDLGHBXRDK-UWVJOHFNSA-N 460.313 5.304 50 10 JKGE O=C1/C(=C/c2ccc(-c3ccccc3)cc2)Oc2cc(OCc3ccc(CCl)cc3)ccc21 1871436496 BALGDIMKJIJURS-NTFVMDSBSA-N 452.937 7.288 50 10 JKGE COc1ccc(-c2csc(/C(C#N)=C(\O)CCCOc3cc(C)c(Cl)c(C)c3)n2)cc1F 1872752722 PJUNZXCCUSGQCH-UZYVYHOESA-N 472.969 6.880 50 10 JKGE CC(C)(C)c1ccc(/C=C/C(O)=C(\C#N)c2nc(-c3ccc(Oc4ccccc4)cc3)cs2)cc1 1872753714 JRORHPIEYPBLNX-SODUKCOSSA-N 478.617 8.406 50 10 JKGE COC(=O)c1ccc(/C=C/C(O)=C(\C#N)c2nc(-c3cc(C(C)C)c(OC)cc3C)cs2)cc1 1872753908 UDVWRNMYJOFDMK-HXYGAVEPSA-N 474.582 6.543 50 10 JKGE COc1cc(OC)c(-c2csc(/C(C#N)=C(\O)c3c(F)cccc3Cl)n2)cc1Cl 1872756043 BGCVHOMKVFKIEB-ODLFYWEKSA-N 451.306 6.223 50 10 JKGE N#C/C(=C(/O)Cc1ccc(Br)cc1)c1nc(-c2cc(Cl)ccc2Cl)cs1 1872758354 WTEBACHWNBOUHI-SDXDJHTJSA-N 466.187 6.915 50 10 JKGE COc1ccc(-c2csc(/C(C#N)=C(\O)c3cccc(Oc4ccccc4)c3)n2)c(OC)c1OC 1872759204 HCMLACZADHIJHE-FLFQWRMESA-N 486.549 6.578 50 10 JKGE COc1cc(/C=C(\C#N)c2nc(-c3ccc(C)cc3C)cs2)ccc1OC(=O)c1ccccc1 1872790582 RONBYUUOFIREIW-HYARGMPZSA-N 466.562 6.719 50 10 JKGE COc1ccc(-c2csc(/C(C#N)=C/c3ccc(OC(=O)c4ccccc4)cc3)n2)c(C)c1C 1872792765 PZWNKYDRFCDKAR-PXLXIMEGSA-N 466.562 6.719 50 10 JKGE Cc1cc([C@H](Br)c2cc(Br)cc3c2O[C@@H](C)C3)oc1Br 1917604340 PWVKZDYZHICNSJ-ISVAXAHUSA-N 464.979 5.921 50 10 JKGE Cc1c(Br)sc([C@H](Br)C2C[C@@H]3[C@@H](C2)C3(C)C)c1Br 1922932019 HYJIAYZGJZBUON-FXPVBKGRSA-N 457.069 6.700 50 10 JKGE Fc1ccc(Br)cc1[C@@H](Cl)c1sc(Br)cc1Br 1922943385 VMBQSSSBUPQCST-SNVBAGLBSA-N 463.391 6.503 50 10 JKGE Cc1ccc(F)c([C@H](Br)c2c(Br)sc(Br)c2Cl)c1 1923040815 XCEYFYXWMNNIRN-VIFPVBQESA-N 477.418 6.858 50 10 JKGE Cc1cc(Br)c(F)c([C@@H](Br)Cc2ccncc2Br)c1 1924011798 LXCUYTFCPHLWAS-NSHDSACASA-N 451.959 5.733 50 10 JKGE Brc1sc(Br)c([C@@H](Br)C2CC3(CC3)C2)c1Br 1924569640 YEAHSYIZPWCMPK-ZETCQYMHSA-N 493.884 6.662 50 10 JKGE FC1(F)CCC[C@H]1[C@H](Cl)c1c(Br)sc(Br)c1Br 1924583101 FXBZTDNASPJVIK-FFWSUHOLSA-N 473.402 6.751 50 10 JKGE CC(C)(C)c1cccc([C@H](Br)c2c(Cl)sc(Br)c2Cl)c1 1925615880 CHGPBDMRNPOOGA-NSHDSACASA-N 457.058 7.599 50 10 JKGE CN(Cc1cc(Br)ccc1Br)C[C@@H](Cl)COCc1ccccc1 1982458260 UNVOLHMSUPNJPA-QGZVFWFLSA-N 461.625 5.468 50 10 JKGE C[C@@H]1C[C@@H](C[C@H](Br)c2c(Br)sc(Br)c2Cl)CO1 1997172519 DHMOCJRRXSDJDO-VQVTYTSYSA-N 467.448 6.178 50 10 JKGE Cc1c(Br)cnc2c1nc(CCl)n2CCCN(Cc1ccccc1)Cc1ccccc1 2012798843 FPHGBWYLNYUQDN-UHFFFAOYSA-N 497.868 6.334 50 10 JKGE CCc1sc(Br)cc1[C@H](Br)c1ccc(C)cc1Br 2030224006 WTAXGBIJEOJILJ-CQSZACIVSA-N 453.037 6.628 50 10 JKGE Fc1cc(Br)c(Cl)cc1[C@@H](Cl)c1csc(Br)c1Br 2032959197 WNOCWWOXUNUDNR-SNVBAGLBSA-N 497.836 7.156 50 10 JKGE Cc1cc(Br)c([C@H](Cl)c2cc(Br)c(Cl)s2)cc1Br 2052451939 SIUNHTIDPVRGFE-NSHDSACASA-N 493.873 7.326 50 10 JKGE Cc1cc(F)c([C@H](Br)c2c(Br)cccc2Br)cc1C 2094095006 IDPYPGYQAMWHTE-HNNXBMFYSA-N 450.971 6.452 50 10 JKGE C[C@H]1CCC[C@](CBr)(Cc2cccc(Br)c2Br)CC1 2100844253 GIVXCRWRUPSKEZ-BLLLJJGKSA-N 453.056 6.736 50 10 JKGE C[C@@H](CCC(CBr)(CBr)c1ccccc1Br)C(F)F 2101521158 MUAKFIHIGBDTJE-JTQLQIEISA-N 462.998 6.158 50 10 JKGE CN(Cc1cccc(Br)c1Br)C1(CBr)CCSCC1 2114724123 CGOPCEVGWPOMSR-UHFFFAOYSA-N 472.084 5.304 50 10 JKGE COC1(C(F)(F)F)CC([C@@H](Br)c2cc(Br)c(Br)s2)C1 2125555684 INAWPZKXBHFASR-FDRLMODASA-N 486.973 6.067 50 10 JKGE Cc1cc(Br)c(C)c([C@@H](Br)C2(C(F)(F)F)CC2)c1Br 2136369214 INVJOOPOROZMFV-LLVKDONJSA-N 464.945 6.607 50 10 JKGE Cc1c(Br)ccc([C@H](Cl)c2ccc(Cl)cc2Br)c1Br 2138864308 OIKTVYGUNICOPI-CQSZACIVSA-N 487.844 7.264 50 10 JKGE ClCc1nc2cc(Br)c(Cl)cc2n1CCc1cnn(Cc2ccccc2)c1 2159862675 ALHSWJKDZQAAIA-UHFFFAOYSA-N 464.194 5.679 50 10 JKGE ClCc1nc2cc(Br)c(Cl)cc2n1C1[C@H]2C[C@H]1CN(Cc1ccccc1)C2 2159870441 ZCELCGRZIDBNHC-GJZGRUSLSA-N 465.222 5.884 50 10 JKGE C[C@H](Cl)c1nc2cc(Cl)c(Br)cc2n1[C@@H]1C[C@H](C)N(Cc2ccccc2)C1 2169011192 YHLZHQOJDPKSKR-OFQRWUPVSA-N 467.238 6.588 50 10 JKGE Cc1cc(Br)c(C)c([C@@H](Br)[C@@H]2C[C@H]3[C@@H](C2)C3(C)C)c1Br 2201069309 VBXRSESFCPJAOE-BUWBCJGYSA-N 465.067 6.947 50 10 JKGE Cc1c([C@@H](Br)c2c(Br)cc(F)c(Cl)c2F)nn(C)c1Br 2201621793 OQTDPVZSIAXJDQ-QMMMGPOBSA-N 493.371 5.669 50 10 JKGE COc1cc(Cl)c([C@@H](Br)Cc2cccc(Br)c2)cc1Br 2202351730 KBBFMIZCTUVDKX-LBPRGKRZSA-N 483.425 6.552 50 10 JKGE COc1c(Br)cc(C)cc1[C@@H](Br)c1ccc(C)c(Br)c1 2203830255 NYBPSJSIEUNIRU-HNNXBMFYSA-N 463.007 6.321 50 10 JKGE Cc1c(Br)ccc([C@@H](Br)[C@@H]2C[C@H]3COC[C@H](C3)C2)c1Br 2206755165 SIBMEXLLKZLPBE-LGSVPQMISA-N 467.039 6.019 50 10 JKGE COc1cc(F)c([C@@H](Cl)c2ccc(I)c(C)c2)cc1Br 2207111773 SFTYPVRKDHQRQE-HNNXBMFYSA-N 469.519 5.838 50 10 JKGE CCN(C[C@@](C)(CI)OCCCCCC1CC1)C(=O)OC(C)(C)C 2216704631 YSAIBYQDXQTPRX-LJQANCHMSA-N 453.405 5.424 50 10 JKGE Cc1cc([C@@H](Br)c2cc(Br)c(Cl)s2)cc(C)c1Br 2220199796 HKFLEQBCGDDZNQ-GFCCVEGCSA-N 473.455 7.028 50 10 JKGE CCCC[C@H](CC)[C@@H](Br)c1c(Br)cc(Cl)c(Cl)c1Cl 2224303258 UZXYKCALDIDQQM-QPUJVOFHSA-N 451.457 8.062 50 10 JKGE CCOC1CC(C[C@H](Br)c2cc(Br)c(Br)cc2F)C1 2225615883 AJBCUNJKNZUVNM-AMUVOQDHSA-N 458.991 5.992 50 10 JKGE COc1cc(F)c(Br)cc1[C@@H](Br)c1scc(Br)c1C 2226125269 XLHQTQXDCAGTLM-GFCCVEGCSA-N 472.999 6.214 50 10 JKGE Cc1cc(Br)c([C@@H](Cl)c2ccc(Br)cc2)c(C)c1Br 2227348581 OFLJDBWUPNTGAF-HNNXBMFYSA-N 467.426 6.919 50 10 JKGE O=C(Nc1ccc(Cl)cc1CBr)c1cccc(I)c1 2230997044 YTXDULJOFDLPSM-UHFFFAOYSA-N 450.501 5.092 50 10 JKGE Brc1cccc(Br)c1CN1C[C@H](Br)CC12CCCC2 2232263027 RUZWONSIOPAURS-LLVKDONJSA-N 452.028 5.494 50 10 JKGE COc1cc(F)c([C@@H](Br)c2ccc(C)c(I)c2)c(F)c1 2232832365 AJRAIFUHUJYKDX-HNNXBMFYSA-N 453.064 5.371 50 10 JKGE Cc1cc(Br)c([C@H](Br)[C@H]2C[C@@]23CCCOC3)c(C)c1Br 2235612518 PIQWNEPTGPCATQ-HFBAOOFYSA-N 467.039 6.081 50 10 JKGE Cc1cc(Br)c([C@@H](Br)C2CC3(CCOC3)C2)c(C)c1Br 2235617042 IOBNSKLYXHBQKL-AJQRCPHMSA-N 467.039 6.081 50 10 JKGE Fc1cccc([C@H](Br)c2ccc([C@H]3CCOC3)s2)c1I 2240430800 BWKLXJIVFMUEIP-XPTSAGLGSA-N 467.141 5.480 50 10 JKGE Cc1ccc(I)c(-n2c(CCl)nc3cccc(Br)c32)c1 2240627652 UOAWQWAANZBRQZ-UHFFFAOYSA-N 461.528 5.440 50 10 JKGE FC(F)[C@@H]1CCC[C@@H]1[C@H](Cl)c1c(Br)sc(Br)c1Br 2257873931 YBBCXJWAOCQALE-UUEMRFSQSA-N 487.429 6.997 50 10 JKGE CCOc1ccc([C@@H](Br)c2ccc(Cl)c(I)c2)cc1 2268274833 BJYWRNCTYPMXBW-OAHLLOKOSA-N 451.529 5.828 50 10 JKGE C[C@@H]1C[C@@H]1[C@@H]1C[C@H]1[C@H](Br)c1c(F)cc(Br)c(F)c1Br 2272856553 YCVBUJXCHRWMNM-YGKONGJQSA-N 458.966 6.218 50 10 JKGE COc1c(Br)cc(Cl)cc1[C@H](Br)c1cc(Br)sc1C 2277974075 FVRFDTWSRBMFNV-GFCCVEGCSA-N 489.454 6.728 50 10 JKGE CCCCOC(=O)c1ccc(NC(=O)C(C#N)=Cc2ccc(OC(=O)c3ccc(C)cc3)cc2)cc1 2293038700 UZKBAZKCECYOFE-UHFFFAOYSA-N 482.536 5.717 50 10 JKGE CCCCCCOc1ccc(C=C(C#N)C(=O)Nc2ncc(Cc3ccccc3)s2)cc1OC 2293038927 IOJBNYSYBBSERF-UHFFFAOYSA-N 475.614 6.247 50 10 JKGE N#CC(=Cc1ccc(OCc2ccc(C(=O)O)cc2)c(Br)c1)c1cccc(F)c1 2294284620 MLXPZXPPRLGORZ-UHFFFAOYSA-N 452.279 5.930 50 10 JKGE N#CC(=Cc1ccc(-c2ccc(C(=O)OCc3ccccc3)cc2)o1)c1nc2ccccc2s1 2294492904 RCCJASDOYQBXBS-UHFFFAOYSA-N 462.530 6.977 50 10 JKGE ClCc1cc(Cl)c(OCc2c(Br)cccc2Br)c(Cl)c1 2296309025 PLRBQSUMRVKXLC-UHFFFAOYSA-N 459.392 6.836 50 10 JKGE C=C(C)Cn1c(SCC(=O)NN=CC=Cc2ccccc2)nnc1-c1ccc(Br)cc1 2297298377 VUPKSIPRNIXBRW-UHFFFAOYSA-N 496.434 5.191 50 10 JKGE CCOC(=O)c1c(-n2c(C)cc(C=C(C#N)C(=O)NCc3ccccc3)c2C)sc2c1CCCC2 2297328219 UMGHOLNMSDNRBD-UHFFFAOYSA-N 487.625 5.435 50 10 JKGE CCOC(=O)c1c(-c2ccc(Br)cc2)csc1NC(=O)C(C#N)=Cc1cccs1 2297453437 GVAUJUDZWQEXSS-UHFFFAOYSA-N 487.400 5.961 50 10 JKGE Brc1ccc(OCc2ccccc2)c([C@@H](Br)[C@]23COC[C@H](C2)C3)c1 2299495690 RIONPQFNBZJDGG-CDHQVMDDSA-N 452.186 5.891 50 10 JKGE FC(F)(F)[C@@H]1C[C@H]1[C@@H](Br)c1ccc(OCc2ccccc2)cc1Br 2299508677 KORVDYOPAOWASV-INMHGKMJSA-N 464.119 6.663 50 10 JKGE F[C@@H]1CCC[C@@H]([C@@H](Br)c2ccc(OCc3ccccc3)cc2Br)C1 2299535367 OBZZXACIXPGYRX-JXXFODFXSA-N 456.193 6.992 50 10 JKGE Clc1cc(I)c([C@@H](Cl)Cc2ccc(Br)cc2)s1 2301085603 GKKDQPBBLJEBAQ-VIFPVBQESA-N 461.977 6.291 50 10 JKGE Clc1ccc(CO[C@@H]2CCCC[C@H]2I)c(I)c1 2301813305 JTLCVFYDGDRPNJ-DGCLKSJQSA-N 476.523 5.207 50 10 JKGE CCOc1cc(C=C(C#N)C(=O)NCCc2c[nH]c3ccccc23)ccc1OCc1ccc(C)cc1 2313556050 KIIVAWXPNIXCLO-UHFFFAOYSA-N 479.580 5.720 50 10 JKGE N#CC(=Cc1cccc(OCc2ccc(Br)cc2)c1)C(=O)Nc1cccc([N+](=O)[O-])c1 2313670696 PWQQGNYNOGUBBH-UHFFFAOYSA-N 478.302 5.482 50 10 JKGE FC(F)(F)C1CC([C@H](Br)c2ccc(OCc3ccccc3)cc2Br)C1 2314461669 RAWZXCWRADGJCL-JRSKDTKFSA-N 478.146 7.053 50 10 JKGE N#CC(=Cc1cc([N+](=O)[O-])ccc1OCC(=O)Nc1ccccc1)c1nc2ccccc2s1 2314488208 KIGOJXGPJHSAIS-UHFFFAOYSA-N 456.483 5.286 50 10 JKGE Brc1ccc(OCc2ccccc2)c([C@@H](Br)C[C@@H]2C[C@H]3CC[C@H]2C3)c1 2314489329 KHCJKKBECSWSKZ-NTLWEQJWSA-N 464.241 7.290 50 10 JKGE Cc1c(Br)cccc1[C@@H](Cl)c1ccc(OCc2ccccc2)cc1Br 2314495315 PSWVYNATUVBUNP-OAQYLSRUSA-N 480.627 7.427 50 10 JKGE CCOc1cccc(-c2nn(-c3ccccc3)cc2C=C(C#N)S(=O)(=O)c2ccc(F)cc2)c1 2314522803 YXWLRRITUBTWQA-UHFFFAOYSA-N 473.529 5.415 50 10 JKGE Cc1ccc(Oc2nc3c(C)cccn3c(=O)c2C=C(C#N)C(=O)Nc2ccccc2Cl)cc1 2314532195 HAYSYHLLAVZADL-UHFFFAOYSA-N 470.916 5.303 50 10 JKGE N#CC(=Cc1ccc2noc(-c3ccccc3)c2c1)C(=O)Nc1ccc(C(F)(F)F)c(Cl)c1 2314572139 UFEAURKSYWHRDJ-UHFFFAOYSA-N 467.834 6.713 50 10 JKGE Cc1ccc(NC(=O)C(C#N)=C2S[C@@H](Cc3ccccc3F)C(=O)N2c2ccc(C(C)C)cc2)cc1 2314591972 ISVBNQFISKRHKI-SANMLTNESA-N 499.611 6.323 50 10 JKGE Cc1cc(Br)c(F)c(Br)c1[C@@H](Br)C[C@H](C)C(F)F 2317399101 HCNMSGAAJPZSEF-BQBZGAKWSA-N 452.934 6.386 50 10 JKGE COc1ccc(C(C#N)=Cc2ccc(OC(=O)C(Cl)(Cl)Cl)c(OC)c2)cc1OC 2320506968 VRTYXERYFSSSBK-UHFFFAOYSA-N 456.709 5.052 50 10 JKGE N#CC(=CNC1CCCCCCCCCCC1)C(=O)Nc1ccccc1Sc1ccccc1 2325336937 IVBSRCDMALELMD-UHFFFAOYSA-N 461.675 7.447 50 10 JKGE CC[C@@H](C)[C@@H](C(O)=C(C#N)c1nc(-c2ccc(C)cc2C)cs1)N1C(=O)c2ccccc2C1=O 2331311002 CQWMIBFMSWFMDN-MWTRTKDXSA-N 471.582 5.931 50 10 JKGE CCc1cccc(C)c1N1C[C@H](C(O)=C(C#N)c2nc(-c3ccc(C(C)C)cc3)cs2)CC1=O 2331340613 JQHDFWWTBDSGPO-JOCHJYFZSA-N 471.626 6.650 50 10 JKGE COc1cc(C)c(-c2csc(C(C#N)=C(O)CCCOc3ccc(C)cc3)n2)cc1C(C)C 2331356052 JGRLFIKMNVPBPG-UHFFFAOYSA-N 462.615 7.211 50 10 JKGE CCOc1ccc(-c2csc(C(C#N)=C(O)CCCOc3ccccc3Cl)n2)c(OCC)c1 2331389162 ZDKLDVGTWVZWNF-UHFFFAOYSA-N 485.005 6.913 50 10 JKGE COc1ccc(Cl)cc1-c1csc(C(C#N)=C(O)CNC(=O)c2ccc(C(C)(C)C)cc2)n1 2331410931 SPFGCXLWOROJAL-UHFFFAOYSA-N 482.005 5.992 50 10 JKGE N#CC(=Cc1ccc(OCc2ccc(Cl)cc2)cc1)c1nc(-c2cccc([N+](=O)[O-])c2)cs1 2331414661 WXKSCPAGADATDL-UHFFFAOYSA-N 473.941 7.015 50 10 JKGE Brc1cc(OCc2ccccc2)ccc1[C@H](Br)C1Cc2ccccc2C1 2336052165 YONLOXWUVHYDMR-HSZRJFAPSA-N 472.220 6.879 50 10 JKGE CC[C@@H](Br)[C@@H]1CCCCN1Cc1ccc(Cl)c(I)c1 2337230730 WNYIYHFERCTWND-DOMZBBRYSA-N 456.593 5.473 50 10 JKGE Brc1cccc(Br)c1CO[C@H](CI)c1ccccc1 2340566821 XBYPAVGQZSMTGB-OAHLLOKOSA-N 495.980 5.905 50 10 JKGE C=CC[C@@]1(CBr)CCCN1Cc1ccc(Cl)cc1I 2341035509 QHGVIRXTXTWZRV-HNNXBMFYSA-N 454.577 5.250 50 10 JKGE ClCc1ccnc(OCc2cc(I)ccc2Br)c1Cl 2341552503 PFQCEADPZRAAGD-UHFFFAOYSA-N 472.935 5.420 50 10 JKGE C[C@@H](Br)CN(Cc1cccc(Br)c1Br)C1CCCC1 2342946748 UORXZDKYBDHHOQ-LLVKDONJSA-N 454.044 5.740 50 10 JKGE ClC[C@@]1(Cc2ccc(I)c(Br)c2)CCC=CCCC1 2349841309 IQLHIMXMCTZFNV-INIZCTEOSA-N 453.589 6.342 50 10 JKGE Cc1cc(Br)c([C@@H](Br)[C@@H]2CC[C@H]3C[C@@H]2CO3)c(C)c1Br 2358673954 RYQRKHWWAJFUJX-JBBSTSQOSA-N 467.039 6.080 50 10 JKGE COc1c(Br)cc(C)c([C@@H](Cl)c2cc(Br)oc2C)c1Br 2365174968 BPGDBSLWPSZVOR-ZDUSSCGKSA-N 487.413 6.521 50 10 JKGE Cc1cc(Br)c(F)c(Br)c1[C@H](Br)c1cc(F)ccc1Cl 2365186952 WATCNGLESQEORG-GFCCVEGCSA-N 489.379 6.936 50 10 JKGE FC1(F)[C@H]2C[C@H](CO[C@H](CI)c3ccccc3Br)C[C@H]21 2369978537 UBYBOCWUUTYEKW-SGESHTKJSA-N 457.096 5.233 50 10 JKGE CC(C)COc1ccc(C(=O)NNC(=O)c2ccc(NC(=O)c3ccc(C(C)(C)C)cc3)cc2)cc1 14030354 BJQZNADIBSIPEL-UHFFFAOYSA-N 487.600 5.346 50 10 JKGE CC(C)(C)c1cc(Br)ccc1OCC(=O)NNC(=O)c1ccc(-c2ccccc2)cc1 14668133 UHLOXXVLSICJCV-UHFFFAOYSA-N 481.390 5.254 50 10 JKGE CC(/C=N/NC(=O)C1CCN(Cc2ccc(Br)cc2)CC1)=C\c1ccc(C(C)C)cc1 35384176 NEBHSRHRODTELL-OWTXPYOGSA-N 482.466 5.990 50 10 JKGE CCCOc1ccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4cccc(OCC)c4)ccc32)cc1 38650697 AKNQLHUTKWGPCA-AREMUKBSSA-N 470.525 5.311 50 10 JKGE N#CC1=C(N)Oc2cc(OC(=O)c3ccccc3Br)ccc2[C@@H]1c1cccc2ccccc12 38657660 YJQHBZDOWZYBCC-VWLOTQADSA-N 497.348 6.040 50 10 JKGE CCCOc1ccc(C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@H]3c2ccc(OCC)cc2)cc1 38685824 MVQULIVOLHVCLQ-SANMLTNESA-N 470.525 5.311 50 10 JKGE Cc1ccc(NC(=O)/C(C#N)=C\c2c(Oc3ccccc3C)nc3c(C)cccn3c2=O)cc1C 39858906 GFMSQDRJQJBNNN-QNGOZBTKSA-N 464.525 5.266 50 10 JKGE COc1cc(/C=N/NC(=O)[C@@H](C)Oc2ccc(C(C)(C)C)cc2)ccc1OCc1ccc(C)cc1 40961462 JLLBEDGTDQCSCZ-OPKDQHMBSA-N 474.601 5.798 50 10 JKGE C/C(=N\NC(=O)c1ccc(OCc2ccc(Cl)cc2Cl)cc1)c1ccc(Br)cc1 48573497 LYZNZAPGFTUUGD-VULFUBBASA-N 492.200 6.489 50 10 JKGE N#C/C(=C\c1ccc(OCc2ccc(Cl)cc2)cc1)C(=O)N1CCN(c2ccccc2)CC1 59676564 OACMRILOZAPIBG-PTGBLXJZSA-N 457.961 5.175 50 10 JKGE CCn1c2ccccc2c2cc(N/C=C(/C#N)c3nc(-c4cc5ccccc5oc4=O)cs3)ccc21 102422172 YYOYQBCOHLFROL-MNDPQUGUSA-N 488.572 7.021 50 10 JKGE Cc1ccc(-c2csc3ncn(CC(=O)/C(C#N)=C4/Nc5ccccc5S4)c(=O)c23)cc1C 103908329 XMRQYCQGZFLMPZ-QJOMJCCJSA-N 470.579 5.264 50 10 JKGE FC(F)Oc1ccccc1[C@H](Br)c1cc(Br)sc1Br 104027132 GPKGTHKXQCIEBT-JTQLQIEISA-N 476.962 6.359 50 10 JKGE COc1ccc(/C=C(/C#N)c2ccc(/C(C#N)=C\c3ccc(OC)cc3OC)cc2)c(OC)c1 108578663 OZEUUMNXWGGPSJ-GACBQCINSA-N 452.510 5.849 50 10 JKGE Clc1cc(Br)ccc1[C@H](Br)Cc1cccc(Br)c1 110303501 KTHWKXNMACWBRF-CYBMUJFWSA-N 453.399 6.544 50 10 JKGE Cc1ccc(Br)cc1[C@@H](Cl)c1cc(Br)c(Br)s1 128158317 OLKMOZJWACCDPX-LLVKDONJSA-N 459.428 6.672 50 10 JKGE CCCCc1ccc(N(C(=O)/C(C#N)=C\c2ccccc2OC)S(=O)(=O)c2ccccc2)cc1 207133132 MQSYSGZUPJRXAK-NMWGTECJSA-N 474.582 5.367 50 10 JKGE CC[C@@H](NC(=O)/C(C#N)=C\Nc1ccc(I)cc1)c1ccc2c(c1)CCCC2 217192487 KQTKNSGTAOKLIL-JXTFVVQCSA-N 485.369 5.257 50 10 JKGE Clc1c(Br)cccc1[C@H](Br)c1csc2c(Br)cccc12 228454093 MZZMRKJFPTVMSY-ZDUSSCGKSA-N 495.461 7.564 50 10 JKGE CC(C)Cc1ccc([C@@H](Cl)c2cc(Br)ccc2I)cc1 232659587 FBCRAGNUUZYMHE-QGZVFWFLSA-N 463.584 6.580 50 10 JKGE COc1cc(F)c(Br)cc1[C@@H](Br)c1cc(F)ccc1Br 234863738 AJDZTHHABLTYJY-AWEZNQCLSA-N 470.933 5.983 50 10 JKGE Clc1ccc(Cl)c([C@H](Br)c2cc(Cl)ccc2I)c1 236060915 FLOQHVKWFOAZBU-ZDUSSCGKSA-N 476.366 6.736 50 10 JKGE CCc1ccc2c(Cl)c(C(=O)NN=Cc3ccc(OC)c(COc4ccc(F)cc4)c3)sc2c1 252607654 HDMMIVPYXVWJMU-UHFFFAOYSA-N 496.991 6.608 50 10 JKGE Cc1cc([C@@H](Cl)c2cc(I)ccc2Br)c(F)cc1F 300464244 IUQUTTCXDWAUSM-AWEZNQCLSA-N 457.483 5.969 50 10 JKGE Cc1cc(C)c([C@@H](Br)c2ccc(Br)s2)c(C)c1Br 305954803 DLEAYTTXZNRVDM-AWEZNQCLSA-N 453.037 6.683 50 10 JKGE C[C@@H]1CC(Oc2c(Br)cc(Br)cc2CBr)C[C@@H](C)C1 311569538 UMPADBDHSKAVMX-UWVGGRQHSA-N 455.028 6.310 50 10 JKGE COc1ccc(Br)cc1[C@@H]1CN(C(=O)OCc2ccccc2)C[C@H]1CBr 382704907 RSWZUEJKXBGQFU-CRAIPNDOSA-N 483.200 5.205 50 10 JKGE Fc1ccc([C@@H](Cl)c2cc(Cl)c(Cl)c(Cl)c2Cl)c(I)c1 404899078 ZXYJWNWSPZDHHQ-SNVBAGLBSA-N 484.350 7.372 50 10 JKGE CC(=O)O[C@H](CO)Cc1ccc(O[Si](C)(C)C(C)(C)C)c(O[Si](C)(C)C(C)(C)C)c1 504239092 UKAFAWVNQGOWOG-IBGZPJMESA-N 454.756 5.921 50 10 JKGE in-vitro C1=C/C(=C2/C=CC=C2P(c2ccccc2)c2ccccc2)C(P(C2=C[CH-][CH-]C=C2)c2ccccc2)=C1 575124058 LQCMQUZUFVGGOK-QNEJGDQOSA-N 496.530 7.993 50 10 JKGE Cn1ncc(Br)c1[C@@H](Br)c1scc(C(F)(F)F)c1Br 693070036 IUJLUNAGWUHXMW-SSDOTTSWSA-N 482.945 5.510 50 10 JKGE CCOc1ccc([C@H](Cl)c2scc(Br)c2Br)c(Br)c1 707834823 LAHIGDLTWPHMIO-LBPRGKRZSA-N 489.454 6.763 50 10 JKGE ClCc1nc2cc(Br)ccc2n1-c1cc(Br)cc(Br)c1 709806810 APSPVGXJAWJJNG-UHFFFAOYSA-N 479.397 6.052 50 10 JKGE O=C(c1ccc(I)c(Br)c1)[C@@H](Cl)c1ccc(F)cc1 721305089 WEDSUGWUEHXSIV-ZDUSSCGKSA-N 453.476 5.356 50 10 JKGE FC(F)(F)Oc1cccc([C@@H]2CN(Cc3ccccc3)C[C@@H]2CI)c1 725408109 RAPYRKURLFWEHG-WMZOPIPTSA-N 461.265 5.236 50 10 JKGE O=C(Cl)/C=C\c1cc(Cl)c(OCc2ccc(Cl)c(Cl)c2)c(Br)c1 1081481182 LLSVRYUZYZLQCU-RQOWECAXSA-N 454.962 6.767 50 10 JKGE C=CCc1cc(C=NNC(=O)c2cc3ccccc3o2)ccc1OCc1ccc(Br)cc1 1084068595 OFKWHKSUMRCWNE-UHFFFAOYSA-N 489.369 6.267 50 10 JKGE Cc1ccc(-n2c(C)cc(C=NNC(=O)CSC3c4ccccc4-c4ccccc43)c2C)cc1C 1084424431 OESQVAZCWHLQNZ-UHFFFAOYSA-N 479.649 6.664 50 10 JKGE Cc1cccc(NC(=O)/C(C#N)=C\c2cc(Br)ccc2OCc2ccc(F)cc2)c1 1084606581 CORCKCHFYDGCSP-UNOMPAQXSA-N 465.322 6.021 50 10 JKGE CCCc1nn(Cc2cccc(F)c2)c2c1[C@@H](c1cccc(Br)c1)C(C#N)=C(N)O2 1865684198 NEIKGWOSDFNOSJ-FQEVSTJZSA-N 467.342 5.004 50 10 JKGE Cn1nc(C(F)(F)F)c2c1OC(N)=C(C#N)[C@H]2c1c(OCc2ccccc2)ccc2ccccc12 1865704546 YJVHBCDIWYPHKN-NRFANRHFSA-N 476.458 5.389 50 10 JKGE CC(C)OC(=O)c1ccc(/C(C#N)=C/c2ccc(OCc3ccc(Cl)c(Cl)c3)cc2)o1 1872728623 LSSPNUFYOZMTGA-WOJGMQOQSA-N 456.325 6.795 50 10 JKGE CCOc1cc(/C=C(\C#N)c2ncccc2[N+](=O)[O-])ccc1OCc1ccc(Cl)cc1Cl 1872729059 LKLLIVDKYPVFIR-LICLKQGHSA-N 470.312 6.338 50 10 JKGE CC[C@H](C)[C@H](/C(O)=C(\C#N)c1nc(-c2ccc(C)cc2C)cs1)N1C(=O)c2ccccc2C1=O 1872748569 CQWMIBFMSWFMDN-MQBSAJFPSA-N 471.582 5.931 50 10 JKGE CCOc1ccc(OCC)c(-c2csc(/C(C#N)=C(\O)CCc3ccc(Cl)cc3)n2)c1 1872754645 CCVFTOFZYVSHMG-XDOYNYLZSA-N 454.979 6.686 50 10 JKGE COc1ccc(-c2csc(/C(C#N)=C(\O)c3ccccc3C(=O)c3ccccc3)n2)cc1Cl 1872757410 DRTRRACHDZLJNO-QQTULTPQSA-N 472.953 6.653 50 10 JKGE Cc1cc(OCCC/C(O)=C(\C#N)c2nc(-c3cc(Cl)ccc3Cl)cs2)cc(C)c1Cl 1872758926 XAZWEEQWVUDQLK-UZYVYHOESA-N 493.843 8.039 50 10 JKGE CCOc1ccc(OCC)c(-c2csc(/C(C#N)=C/c3ccc(OCc4ccc(C)cc4)cc3)n2)c1 1872792732 ORDQRTWWRBKQNY-LFVJCYFKSA-N 496.632 7.559 50 10 JKGE N#C/C(=C(/O)c1ccc2c(c1)C(=O)N(Cc1ccccn1)C2=O)c1nc(-c2cccc(Cl)c2)cs1 1872817857 AJTHDLYCTGJQMN-LNVKXUELSA-N 498.951 5.605 50 10 JKGE CC(C)(CBr)N(Cc1ccccc1)C(=O)c1ccccc1I 1915772735 BHHLKXKTNFOBEK-UHFFFAOYSA-N 472.164 5.107 50 10 JKGE Cc1c(Br)sc([C@@H](Cl)c2ccsc2S(C)(=O)=O)c1Br 1922913444 WZKVQRBFIDMVEC-QMMMGPOBSA-N 464.653 5.375 50 10 JKGE Clc1ccccc1C[C@@H](Br)c1sc(Br)cc1Br 1922935962 SYMHJONYMONWFH-MRVPVSSYSA-N 459.428 6.605 50 10 JKGE Clc1c(Br)sc(Br)c1[C@H](Cl)c1ccsc1Br 1923066947 WZWSQQYOYJSXHM-RXMQYKEDSA-N 485.875 7.079 50 10 JKGE Fc1cccc([C@H](Br)Cc2ccncc2Br)c1I 1924017000 QWLFAWUMROQQCS-SNVBAGLBSA-N 484.932 5.267 50 10 JKGE Cl[C@@H](C[C@H]1CCCOCC1)c1c(Br)sc(Br)c1Br 1924616119 LHHRRYAQCBUZAH-YUMQZZPRSA-N 481.475 6.522 50 10 JKGE Cc1sc([C@@H](Br)c2cc(Br)c(Cl)s2)cc1Br 1981406355 CLECPXJJFYXALQ-SECBINFHSA-N 465.457 6.781 50 10 JKGE CCc1cc(Br)c([C@H](Br)c2cc(C)cc(Br)c2)s1 2029236943 ZDGSXGSZPHXMLX-CYBMUJFWSA-N 453.037 6.628 50 10 JKGE Clc1c(Br)sc(Br)c1[C@H](Br)[C@@H]1[C@H]2CCCCC[C@H]21 2048337138 KJXGWASPFITZML-CHIQAWFVSA-N 477.487 7.189 50 10 JKGE FC1(F)CC[C@@H]2[C@H]([C@@H](Br)c3c(Br)sc(Br)c3Cl)[C@H]21 2051238224 HZMXVQURPPZTQH-LPWJYYESSA-N 485.413 6.654 50 10 JKGE BrC[C@H](Cc1ccc(Br)cc1)Cc1cnsc1Br 2055666361 XTMGWXYNOVWPDC-SNVBAGLBSA-N 454.025 5.464 50 10 JKGE O=S(=O)(c1ccc(CBr)c(Br)c1)N(Cc1ccccc1)CC1CCC1 2059390419 OCVFOLOUJPMIBD-UHFFFAOYSA-N 487.257 5.335 50 10 JKGE C[C@@H]1CCCN(C(=O)c2csc(Br)c2Br)[C@H]1CCBr 2093944873 RACWBPRIZAGRTD-SCZZXKLOSA-N 474.056 5.299 50 10 JKGE COc1cc(C)c(Br)cc1[C@H](Br)c1scc(C)c1Br 2100814600 KISDCPRGOGGQGF-ZDUSSCGKSA-N 469.036 6.383 50 10 JKGE Clc1c(Br)sc(Br)c1[C@@H](Br)[C@@H]1CCn2ccnc2C1 2108963242 TWLKXLFKXXARAS-MUWHJKNJSA-N 489.458 5.822 50 10 JKGE C[C@H](c1ccncc1Br)[C@H](Br)c1c(Cl)cccc1Br 2113162423 HZMZKXBLLRJVLZ-CLAHSXSESA-N 468.414 6.500 50 10 JKGE Clc1nc(Cl)n([C@H]2CN(Cc3ccccc3)[C@]3(CCCOC3)C2)c1CBr 2118820828 NQNWHHDBOZPEPP-DNVCBOLYSA-N 459.215 5.081 50 10 JKGE CCc1occc1[C@H](Br)c1c(C)c(Br)cc(C)c1Br 2136378414 CUFITWCXKMPJNC-HNNXBMFYSA-N 450.996 6.468 50 10 JKGE Cc1cc(Br)c(C)c([C@@H](Br)[C@@H]2C[C@H]3CC[C@H]2C3)c1Br 2136379800 OGHBHWDDLUOYRG-OVZMXSCWSA-N 451.040 6.701 50 10 JKGE COc1csc([C@@H](Br)c2c(C)c(Br)cc(C)c2Br)c1 2136380152 RSHGKDPKXNXMIE-CQSZACIVSA-N 469.036 6.383 50 10 JKGE COc1cc(Cl)c([C@H](Br)c2cn(C)c(Br)n2)cc1Br 2137644987 HJAZPTLMJJNTQU-NSHDSACASA-N 473.390 5.091 50 10 JKGE CC12COC(CC(CBr)(CBr)c3ccccc3Br)(C1)C2 2150314981 WDRPANSLWSDTFA-UHFFFAOYSA-N 467.039 5.436 50 10 JKGE C[C@@H]1CC[C@@H](CCC(CBr)(CBr)c2ccccc2Br)O1 2161113971 LUYXTFJKXAMSFA-OLZOCXBDSA-N 469.055 5.824 50 10 JKGE BrC[C@]12CCC[C@H]1N(Cc1ccc(Br)cc1Br)CCC2 2165238488 GVTUVDNCJJSVSG-HZPDHXFCSA-N 466.055 5.741 50 10 JKGE Cc1c(Cl)cc(C(=O)N[C@H](C)CCCCCI)cc1Br 2174524488 SROJCGGDAYWRKZ-SNVBAGLBSA-N 472.592 5.525 50 10 JKGE O=C(NCC1(CBr)CC2(CCC2)C1)c1cc(Br)c(Br)s1 2182753694 ABIYCTJLYNVATO-UHFFFAOYSA-N 486.067 5.348 50 10 JKGE Cc1c(Br)sc([C@H](Cl)C23CC(C2)[C@@H](C(F)(F)F)O3)c1Br 2193094788 ROVNOASFOPMJMT-SXXKUFFUSA-N 454.533 5.971 50 10 JKGE C[C@@H]1CC[C@H](c2sc(Br)c(Br)c2Br)C[C@H]1Br 2212189698 OCDKZVCOLUTVRC-DSYKOEDSSA-N 495.900 6.703 50 10 JKGE CCc1ccc([C@@H](Br)c2cc(Br)c(Br)cc2F)s1 2218598980 XQGREUSUQUHMPZ-ZDUSSCGKSA-N 457.000 6.459 50 10 JKGE Clc1cc(Br)ccc1C[C@@H](Cl)c1ccc(I)cc1 2221693036 KUSRJTPCWYPUBA-CYBMUJFWSA-N 455.948 6.230 50 10 JKGE Fc1cc(Br)c(Br)cc1[C@H](Br)c1cccc(Cl)c1F 2225617374 OJMZJISDCBAJAD-GFCCVEGCSA-N 475.352 6.628 50 10 JKGE CC[C@@]1([C@@H](Br)c2c(Br)cc(C)c(Br)c2C)CCCO1 2227361321 BQNNFNCYWFTAKB-GJZGRUSLSA-N 455.028 6.224 50 10 JKGE Cc1cc(Br)c([C@@H](Cl)c2nn(C)c(Br)c2C)c(C)c1Br 2235606620 WQBITKSAXNYELM-GFCCVEGCSA-N 485.445 5.961 50 10 JKGE CC(C)c1cc(Br)cc(C(=O)N(Cc2ccccc2)[C@@H](CBr)C(C)C)c1 2266008777 VSFMDJOLGASLIY-NRFANRHFSA-N 481.272 6.634 50 10 JKGE C=CC[C@@]1(CBr)CCCN1Cc1cccc(Br)c1Br 2272114547 GJJCKYINCNLOEU-HNNXBMFYSA-N 452.028 5.517 50 10 JKGE Cc1cc(F)c(CBr)c(Oc2cc(I)ccc2Cl)c1 2272633082 JWFABKOEKJQPQZ-UHFFFAOYSA-N 455.492 6.079 50 10 JKGE COc1cc(OC)c([C@H](Br)c2ccc(Br)o2)cc1Br 2278038643 GWMXMKLIYOTIQT-ZDUSSCGKSA-N 454.940 5.306 50 10 JKGE O=C(c1cc(Br)sc1Br)N1CCC(CCCCBr)CC1 2283128135 WBVMNYGNWITRQC-UHFFFAOYSA-N 488.083 5.691 50 10 JKGE C=CC[C@]1(CBr)CCCCN1C(=O)c1cc(Br)c(Br)s1 2287792089 MVYXTPRNCKIYNF-CQSZACIVSA-N 486.067 5.609 50 10 JKGE COc1ccc([C@H](Br)c2cc3sc(Br)cc3s2)cc1Br 2295400338 DLEPSZIBTSIMKJ-AWEZNQCLSA-N 497.071 6.981 50 10 JKGE COc1cc(OC)c([C@H](Br)c2ccc(Br)cc2)cc1Br 2295437890 RPGRJSWSBXBDKW-OAHLLOKOSA-N 464.979 5.713 50 10 JKGE Cc1ccc(NC(=O)C(C#N)=Cc2c(Oc3ccc(Cl)cc3)nc3c(C)cccn3c2=O)cc1 2296719398 LVYSOEDYTGRXDV-UHFFFAOYSA-N 470.916 5.303 50 10 JKGE CN(c1ccccc1)c1ccc(C=C(C#N)C(=O)Nc2ccc(Cl)cc2Cl)cc1[N+](=O)[O-] 2297382156 LWRWWLADEPGCRN-UHFFFAOYSA-N 467.312 6.215 50 10 JKGE CCCCCCOC(=O)c1ccc(NC=C(C#N)c2nc(-c3ccc(OC)cc3)cs2)cc1 2297624305 KMZPNVJRNUJDMO-UHFFFAOYSA-N 461.587 6.532 50 10 JKGE Cc1ccc(-c2ccc(C=NNC(=O)COc3ccc(Cl)cc3Br)o2)cc1Cl 2297708439 ICUKZEYVKJRFCW-UHFFFAOYSA-N 482.161 5.853 50 10 JKGE N#CC(=Cc1ccc(-c2ccc([N+](=O)[O-])cc2Cl)o1)C(=O)Nc1cccc(Cl)c1Cl 2313571509 XYTRZTMKLAQEGR-UHFFFAOYSA-N 462.676 6.361 50 10 JKGE Fc1ccc(Br)c([C@@H](Cl)c2ccc(OCc3ccccc3)cc2Br)c1 2314450999 AUTZBGLMIUQYJX-FQEVSTJZSA-N 484.590 7.258 50 10 JKGE CCCOc1ccc(-c2nn(-c3ccccc3)cc2C=C(C#N)C(=O)Nc2ccc(C)cc2)cc1Cl 2314476345 NBMLATBSYKFWOW-UHFFFAOYSA-N 496.998 6.836 50 10 JKGE Brc1cc(OCc2ccccc2)ccc1[C@H](Br)C12CCCC1CCC2 2314499950 IPMOTCXZBZTSER-LPBNZCGVSA-N 464.241 7.435 50 10 JKGE COc1ccccc1NC(=O)C(C#N)=C1S[C@H](Cc2cccc(C)c2)C(=O)N1c1ccc(C)c(C)c1 2314592154 MQOATHCNGLYWHY-AREMUKBSSA-N 497.620 5.685 50 10 JKGE CCOC(=O)C(C#N)=Cc1ccc(OC(=O)C=Cc2ccc(OCCC(C)C)c(OC)c2)c(OC)c1 2314790215 LNRPNLUULPVZCA-UHFFFAOYSA-N 493.556 5.218 50 10 JKGE Cc1ccc([C@@H](Br)c2c(C)cc(Br)c(F)c2Br)s1 2317428636 JEIWVFSTEPFORI-LLVKDONJSA-N 457.000 6.513 50 10 JKGE N#CC(=Cc1cccc(Cl)c1)C(=O)Nc1ccc(Br)cc1I 2329685267 VTWHCZWRQFDMQA-UHFFFAOYSA-N 487.522 5.253 50 10 JKGE COc1ccc(C(C)(C)C)cc1-c1csc(C(C#N)=C(O)C=Cc2cccc(Cl)c2)n1 2331350749 QQFGDVMHKGHJOF-UHFFFAOYSA-N 450.991 7.276 50 10 JKGE COC(=O)c1ccccc1N1C[C@H](C(O)=C(C#N)c2nc(-c3c(C)cc(C)cc3C)cs2)CC1=O 2331394059 YJCSMCOEZZZUER-GOSISDBHSA-N 487.581 5.368 50 10 JKGE CCc1ccc(-c2csc(C(C#N)=Cc3cc(Br)cc(Br)c3O)n2)cc1 2331417659 HLRDHYLWKGRKDY-UHFFFAOYSA-N 490.220 6.667 50 10 JKGE CCOc1ccc(C=C(C#N)c2nc(-c3cccc(Br)c3)cs2)cc1OCC 2331431911 CPGMLKKWJOZTIL-UHFFFAOYSA-N 455.377 6.434 50 10 JKGE CCOc1cc(C=C(C#N)c2nc(-c3cccc(Cl)c3)cs2)cc(Br)c1O 2331439768 KZVRLWKYLIYPME-UHFFFAOYSA-N 461.768 6.394 50 10 JKGE COc1ccc(-c2csc(C(C#N)=Cc3ccc(OCc4ccccc4Cl)cc3)n2)cc1F 2331455714 KDQYQIMDCIECPR-UHFFFAOYSA-N 476.960 7.254 50 10 JKGE COc1ccc(C)cc1[C@H](Br)c1cc(Br)ccc1OCc1ccccc1 2336046274 CLDWZNABLOERDE-QFIPXVFZSA-N 476.208 6.829 50 10 JKGE FC1(F)[C@H]2C[C@H]([C@H](Br)c3cc(Br)ccc3OCc3ccccc3)CC[C@H]21 2336082574 BBDONBQTPIAMCS-QKUWSGOFSA-N 486.194 7.146 50 10 JKGE Brc1cc(Br)cc(O[C@@H]2C[C@H](Br)C23CCCCC3)c1 2338855919 HOESYLBSFZHEHU-UONOGXRCSA-N 453.012 6.077 50 10 JKGE ClC[C@@H](I)[C@H](CCl)OCCCc1cc(Cl)cc(Cl)c1 2341219309 NFGQSNALPACPGV-OLZOCXBDSA-N 455.978 5.592 50 10 JKGE Cc1scc([C@H](Cl)c2c(Br)cc(F)c(Cl)c2F)c1Br 2343566606 MWZFSCWSTHIUTJ-JTQLQIEISA-N 450.957 6.841 50 10 JKGE CCc1cc(Br)c(OC)c([C@@H](Br)c2cc(Br)cs2)c1 2353045117 JJSLGRPZEKBGPD-CYBMUJFWSA-N 469.036 6.328 50 10 JKGE BrCc1cc(Br)c(OC(CC2CC2)CC2CC2)c(Br)c1 2360367771 YQLYOMVTYBGOBZ-UHFFFAOYSA-N 467.039 6.454 50 10 JKGE Fc1c(Br)cc(Cl)c([C@@H](Cl)C(F)(F)[C@H]2CCOC2)c1Br 2362221974 BRUKYWOWGFATGJ-ULHQUTTKSA-N 456.911 5.956 50 10 JKGE Fc1c(Br)cc(Cl)c([C@H](Br)C2CCCCCCC2)c1Br 2362231015 UMENWMWKHHEFAQ-CYBMUJFWSA-N 491.464 7.801 50 10 JKGE CC1(C)C(C)(C)C1(C)[C@H](Br)c1c(Cl)cc(Br)c(F)c1Br 2362249591 XZUILMRKRJQWKD-GFCCVEGCSA-N 491.464 7.512 50 10 JKGE Cc1c([C@H](Br)c2cc(C3CC3)c(Br)s2)ccc(Cl)c1Cl 2364552362 XTRWNLDMAJMWDT-ZDUSSCGKSA-N 455.042 7.488 50 10 JKGE COc1c(Br)cc(C)c([C@H](Br)C2CCCCCC2)c1Br 2365188969 QADYIQAUIYYSQN-CQSZACIVSA-N 469.055 6.935 50 10 JKGE Cc1cc(Br)c(F)c(Br)c1[C@@H](Br)Cc1ccc(F)cc1 2365215138 HNZNMGARFNVMMA-NSHDSACASA-N 468.961 6.477 50 10 JKGE Fc1cc(Cl)c([C@@H](Br)c2cc(Cl)c(Br)cc2F)c(Cl)c1 2366404103 YGTTYYLUEJAWSB-ZDUSSCGKSA-N 465.346 7.172 50 10 JKGE O=C(Nc1ccc(CBr)c(F)c1)c1ccc(Br)cc1Br 2367689813 ROJSRMUKUJYPLB-UHFFFAOYSA-N 465.942 5.498 50 10 JKGE COc1c(F)cc([C@H](Br)c2ccc(Cl)c(I)c2)cc1F 2370450630 IECRISKNVRXWGL-CYBMUJFWSA-N 473.482 5.716 50 10 JKGE CCOc1cc([C@H]2C(C#N)=C(N)Oc3[nH]nc(-c4ccc(C)cc4)c32)ccc1OC(=O)c1cccs1 8569252 BYVYJGNQKGVNKU-QFIPXVFZSA-N 498.564 5.283 50 10 JKGE Cc1ccccc1C(=O)Nc1ccc(C(=O)N/N=C/c2ccc(OCc3ccccc3)cc2)cc1 12578671 MPFAJAYAUQMUSL-NDZAJKAJSA-N 463.537 5.590 50 10 JKGE COc1ccc(C(C(=O)NNc2ccccc2)(c2ccc(Cl)cc2)c2ccc(Cl)cc2)cc1 27472251 YGQHUXJUKIMEHA-UHFFFAOYSA-N 477.391 6.480 50 10 JKGE O=C(CSc1nc2ccccc2[nH]1)N/N=C/c1c(OCc2ccc(F)cc2)ccc2ccccc12 32520647 SPIFBFHEDAYQTD-WKULSOCRSA-N 484.556 5.677 50 10 JKGE COc1ccc(-c2nn(-c3ccccc3)cc2/C=C(/C#N)C(=O)Nc2cccc(C(F)(F)F)c2)cc1 33557926 DRSSBLYTGNRABB-RGEXLXHISA-N 488.469 6.112 50 10 JKGE COc1cc(/C=C(/C#N)S(=O)(=O)c2ccc(Cl)cc2)ccc1OCc1ccccc1C 33606804 HUCURTGQJBHZIT-XKZIYDEJSA-N 453.947 5.574 50 10 JKGE Cc1ccc(NC(=O)/C(C#N)=C2/S[C@@H](Cc3ccc(F)cc3)C(=O)N2c2ccccc2)cc1 33656774 BFEZNVQGIZRJFL-GPSDDGMOSA-N 457.530 5.199 50 10 JKGE N#CC1=C(N)Oc2cc(OC(=O)c3ccccc3Cl)ccc2[C@@H]1c1cccc(Br)c1 38651456 NLLBZXQFIHZIJK-NRFANRHFSA-N 481.733 5.540 50 10 JKGE Cc1cc(C)cc(OCC(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@@H]3c2ccc(Cl)cc2Cl)c1 38655496 MVSRYPCQPLXJDQ-RUZDIDTESA-N 495.362 5.813 50 10 JKGE Cc1ccc(NC(=O)/C(C#N)=C\c2c(Oc3ccccc3F)nc3c(C)cccn3c2=O)cc1C 39858739 BMCCSBHSOCTCFO-RGEXLXHISA-N 468.488 5.097 50 10 JKGE CCCCCCOc1ccc(/C=C(\C#N)C(=O)Nc2ccc(OCCCC)cc2)cc1OC 40853160 QFAOLQQDQPBYAE-RELWKKBWSA-N 450.579 6.379 50 10 JKGE COc1ccc(-c2csc(/C(C#N)=C\Nc3ccc([N+](=O)[O-])cc3Br)n2)cc1 100341181 PKRKGZJFTNZEKP-RAXLEYEMSA-N 457.309 5.466 50 10 JKGE Cc1ccc(N2C(=O)[C@H](Cc3ccc(Cl)cc3)S/C2=C(/C#N)C(=O)Nc2ccccc2)cc1C 101244832 VJMLWRPBYKHPFH-FYAMCCBRSA-N 488.012 6.022 50 10 JKGE CC(C)N(CC(=O)N1c2ccccc2-n2cccc2[C@@H]1c1ccc(F)cc1)C(=O)C(Cl)Cl 103177324 FSQUILYSNBSXHW-QFIPXVFZSA-N 474.363 5.093 50 10 JKGE CCOc1ccccc1N/C(SCc1ccccc1Cl)=C(\C#N)C(=O)NCc1cccs1 105422633 ZSEZFFGVZJRUJQ-CLCOLTQESA-N 484.046 6.197 50 10 JKGE Cl[C@@H](c1cc(Br)c(Br)s1)c1ccc(Br)c2ccccc12 128571278 UXTCUEPQBLGDGO-CQSZACIVSA-N 495.461 7.517 50 10 JKGE CC(C)Oc1c(Cl)cc(/C=N/NC(=O)c2nn(-c3ccccc3)c3c2CCC3)cc1Cl 169927680 MJNWKNSVHPQOLV-LGJNPRDNSA-N 457.361 5.219 50 10 JKGE Cc1cccc(C(C)C)c1NC(=O)/C(C#N)=C\Nc1cc(C(F)(F)F)cc(C(F)(F)F)c1 217042144 GQTYGNAVWSMLPZ-KAMYIIQDSA-N 455.402 6.614 50 10 JKGE CC(C)CCC[C@H](C)[C@@H]1CC[C@@H]2[C@H]3CC=C4C[C@@H](OC(=O)CCCCl)CC[C@]4(C)[C@@H]3CC[C@@]12C 253534574 FWOCLQPBUVEXDS-HZHHWZQVSA-N 491.200 8.959 50 10 JKGE CC(=NNC(=O)c1cccc2ccccc12)c1ccc(C(C)=NNC(=O)c2cccc3ccccc23)cc1 254291944 SACSTSGTOLPWBX-UHFFFAOYSA-N 498.586 6.301 50 10 JKGE CCOC(=O)c1c(NC(=O)NN=Cc2cccc(OCc3ccccc3)c2)sc2c1CCC2 256017375 JXBNOQGQPHXNJA-UHFFFAOYSA-N 463.559 5.148 50 10 JKGE Cc1cc([C@H](Cl)c2scc(C(F)(F)F)c2Br)sc1Br 302645066 URJONJOBHDENQO-QMMMGPOBSA-N 454.558 6.990 50 10 JKGE Brc1cc([C@@H](Br)c2cc3c(cc2Br)OCCCO3)co1 380772769 CYLOEONXJJHLOX-CQSZACIVSA-N 466.951 5.450 50 10 JKGE CC(C)(C)OC(=O)Nc1ccc([C@H]2c3ccccc3CCN2CCO[Si](C)(C)C(C)(C)C)cc1 616678407 HQHQARZBEYNFQE-VWLOTQADSA-N 482.741 7.003 50 10 JKGE Cc1ccc([C@H](Br)c2cc(Br)ccc2Cl)c(C)c1Br 719534078 FNVZJOYCFTXUGK-HNNXBMFYSA-N 467.426 6.966 50 10 JKGE Fc1cc(C[C@@H](CBr)c2ccccc2Br)ccc1Br 721996865 BBKLZAWFUGBQPJ-NSHDSACASA-N 450.971 6.072 50 10 JKGE CC(=NNC(=O)CSCc1ccccc1C)c1ccc2c(c1)[C@@H]1C=CC[C@@H]1[C@H](c1ccccc1)N2 725439625 XRLCOZPMWIPQDL-YIIWZEITSA-N 481.665 6.595 50 10 JKGE COC(=O)c1cccc(-n2c(C)cc(/C=C(\C#N)C(=O)Nc3cccc(Cl)c3Cl)c2C)c1C 1084034503 NVAOSAAYRIMKPD-LDADJPATSA-N 482.367 6.042 50 10 JKGE Cc1ccc(COc2ccc(Cl)cc2/C=C(/C#N)C(=O)Nc2cc(Cl)ccc2C)cc1 1084044226 ZIKKVOUDTHNWKL-JAIQZWGSSA-N 451.353 6.735 50 10 JKGE O=C(CC[C@H](O)c1ccccc1)NN=Cc1cc(Cl)c(OCc2ccc(Cl)cc2)c(Cl)c1 1084094454 CWKBBELVOADPMX-QFIPXVFZSA-N 491.802 6.190 50 10 JKGE COc1cc(C=NNC(=O)c2ccccc2Cl)cc(Br)c1OCc1ccccc1 1084514655 VQYUGPBYMKCCJO-UHFFFAOYSA-N 473.754 5.454 50 10 JKGE CCCCCCOc1ccc([C@@H]2CN(C(=O)OCc3ccccc3)C[C@H]2CBr)cc1 1614613851 BLZXAOPXGCXKRJ-VWNXMTODSA-N 474.439 6.393 50 10 JKGE Cc1cccc(C(=O)NN=C2CCCc3oc(C(=O)Nc4ccc(Cl)c(Cl)c4)c(C)c32)c1 1772745288 XFNJJJVZAHFUFD-UHFFFAOYSA-N 470.356 5.926 50 10 JKGE COc1ccc(-n2nc(-c3ccccc3)c3c2OC(N)=C(C#N)[C@H]3c2cccc(Br)c2)cc1 1865683438 DQYGRHBQLLXHSR-JOCHJYFZSA-N 499.368 5.529 50 10 JKGE N#CC1=C(N)Oc2c(c(C(F)(F)F)nn2Cc2ccc(F)cc2)[C@@H]1c1ccc(Cl)c(Cl)c1 1865685974 PQENWZUNKXWUOX-MRXNPFEDSA-N 483.252 5.614 50 10 JKGE CCc1nn(-c2cccc(Cl)c2)c2c1[C@H](c1ccc(OCc3ccccc3)cc1)C(C#N)=C(N)O2 1865689912 GHZIMEFLINPKCC-RUZDIDTESA-N 482.971 5.885 50 10 JKGE N#CC1=C(N)Oc2c(c(C(F)(F)F)nn2Cc2ccc(Cl)c(Cl)c2)[C@@H]1c1ccccc1O 1865707741 FAJSSFPXXGGJDV-MRXNPFEDSA-N 481.261 5.181 50 10 JKGE CC(C)c1nc(Nc2ccc(SC#N)cc2)cc(N2CC[C@@H](c3ccc4c(c3)OCO4)C2)n1 1868231550 KHHRKKXKTPXHGB-GOSISDBHSA-N 459.575 5.639 50 10 JKGE CCc1nc(Nc2ccc(SC#N)cc2)cc(N2CC[C@@H](O)C[C@@H]2c2ccc(OC)c(OC)c2)n1 1868277584 BKJYWZJYWNCJNX-TZIWHRDSSA-N 491.617 5.075 50 10 JKGE CC(C)(C)c1csc(/C(C#N)=C(\O)c2cccc(N3COc4ccc5ccccc5c4C3)c2)n1 1872747454 DLYNIIXNSSOHIG-ROMGYVFFSA-N 467.594 6.900 50 10 JKGE CCCOc1ccc(-c2csc(/C(C#N)=C(\O)[C@H](C(C)C)N3C(=O)c4ccccc4C3=O)n2)cc1 1872749450 RUHZXZRCRQVQPD-HHUUSFLGSA-N 487.581 5.712 50 10 JKGE CCc1cccc(CC)c1N1C[C@H](/C(O)=C(\C#N)c2nc(-c3ccc(C(C)C)cc3)cs2)CC1=O 1872752192 QVSMTMDJLHYFQA-YHMQUTQNSA-N 485.653 6.904 50 10 JKGE COc1c(Cl)cc(Cl)cc1-c1csc(/C(C#N)=C(\O)CCCOc2ccccc2)n1 1872754322 NFCVQSGVWBJWMC-JZJYNLBNSA-N 461.370 6.777 50 10 JKGE CC[C@H](C)[C@H](/C(O)=C(\C#N)c1nc(-c2c(C)cc(C)cc2C)cs1)N1C(=O)c2ccccc2C1=O 1872755926 MAGLMDXQMNZBKT-BGPNAFTOSA-N 485.609 6.239 50 10 JKGE COc1ccc(OC/C(O)=C(\C#N)c2nc(-c3cc(Cl)ccc3Cl)cs2)c(C(C)(C)C)c1 1872758884 VIFQHBAYRGNZNJ-FXBPSFAMSA-N 489.424 7.295 50 10 JKGE CC(C)(C)OC(=O)N[C@H](CBr)[C@@H]1CCCN(C(=O)OC(C)(C)C)C12CCCC2 1903366590 LSZJZJHWYAIRNF-JKSUJKDBSA-N 461.441 5.235 50 10 JKGE C[C@@H](CCBr)N(Cc1ccccc1)C(=O)c1ccccc1I 1915116573 WDJWRSUFRRKHCM-AWEZNQCLSA-N 472.164 5.107 50 10 JKGE Clc1ccc(C[C@H](Cl)c2cc(I)ccc2Br)nc1 1918238667 GXWWLTBOIVWZTD-ZDUSSCGKSA-N 456.936 5.625 50 10 JKGE Cc1ccccc1[C@@H](Br)c1c(Br)sc(Br)c1Cl 1923073444 WYYZPARQFZXRGH-SECBINFHSA-N 459.428 6.719 50 10 JKGE Clc1c(Br)sc(Br)c1[C@@H](Br)c1cccc(C2CC2)c1 1923074518 NRTIZNLAMNUJNJ-NSHDSACASA-N 485.466 7.288 50 10 JKGE Cc1nsc(Br)c1[C@H](Br)[C@@H](C)c1ccncc1Br 1924065607 WFUIXTRJQIGWLB-UPONEAKYSA-N 455.013 5.611 50 10 JKGE Cc1cc(F)ccc1[C@H](Cl)c1c(Br)sc(Br)c1Br 1924585953 SCHUWEDSHNLSRI-JTQLQIEISA-N 477.418 6.811 50 10 JKGE Cc1cc(Br)cc([C@@H](Br)c2sc(Cl)cc2Br)c1 1948827704 CTEIVENFAKKKGI-LLVKDONJSA-N 459.428 6.719 50 10 JKGE BrC[C@H](OCCOCCOCc1ccccc1)c1ccc(Br)cc1 2007813911 FCZADBPNMUHZKH-IBGZPJMESA-N 458.190 5.135 50 10 JKGE Fc1ccc(I)cc1[C@@H](Br)c1ccc(Cl)c(Cl)c1 2050462999 HIZJRZSIAQZRRE-ZDUSSCGKSA-N 459.911 6.221 50 10 JKGE BrCc1cc(-c2ccccc2)nn1Cc1ccc(I)cc1 2070068962 MTGSVHKBIQRFKN-UHFFFAOYSA-N 453.121 5.098 50 10 JKGE CC(C)(C)OC(=O)N1CC[C@]2(CC[C@@](C)(CI)O2)CC12CCCCC2 2074144076 GTCLLAVNKSKDNB-AZUAARDMSA-N 463.400 5.463 50 10 JKGE Cc1cc(Cl)c(Br)cc1[C@H](Br)c1cccc(Br)c1 2082377213 OVBHVNSSLRZDMK-CQSZACIVSA-N 453.399 6.658 50 10 JKGE COc1c(Br)cc(C)cc1[C@H](Br)c1cscc1OCc1ccccc1 2083464209 JZDISMLHVQQEMQ-IBGZPJMESA-N 482.237 6.891 50 10 JKGE Clc1ccc(COc2cc(Br)ccc2CBr)c(Br)c1 2088514594 MBPBPKPZAUOEKR-UHFFFAOYSA-N 469.398 6.339 50 10 JKGE CCC[C@H](CBr)CN(CCCNC(=O)OC(C)(C)C)c1cccc(Br)c1 2106787190 HQTVKBGLKPGGRT-MRXNPFEDSA-N 492.296 5.982 50 10 JKGE Clc1ccc(Br)c(CC[C@H](Br)c2cccc(Br)c2)c1 2113489356 NXVRXTVZCXYDQN-AWEZNQCLSA-N 467.426 6.934 50 10 JKGE O=C(N[C@H](CBr)c1ccsc1)c1cccc(Br)c1Br 2119043619 MYWMESXXNUSCJQ-LLVKDONJSA-N 468.008 5.139 50 10 JKGE CCN(C[C@](C)(CI)OC[C@@H]1C[C@H]1c1ccccc1)C(=O)OC(C)(C)C 2135987400 GQPMORXWWIWVJX-WFXMLNOXSA-N 473.395 5.257 50 10 JKGE COc1c(C)cc(Br)cc1[C@H](Br)c1ccc(I)cc1 2141662210 VQIAKCNWPPBOBZ-CQSZACIVSA-N 495.980 5.855 50 10 JKGE COc1ccc([C@H](Cl)c2ccc(I)c(C)c2)c(Br)c1 2142141250 SMNJWHZDVADQQO-OAHLLOKOSA-N 451.529 5.699 50 10 JKGE COc1ccc([C@@H](Br)c2cc(C)cc(Br)c2F)c(Br)c1 2145600236 JFXMINCXEHACDN-CQSZACIVSA-N 466.970 6.152 50 10 JKGE Fc1ccc(N2CC[C@H]3CCN(Cc4ccccc4)C[C@H]3C2)c(CBr)c1Cl 2148939750 VAIRPDXMKQXYSH-MSOLQXFVSA-N 451.811 5.722 50 10 JKGE BrCc1c(Br)cccc1N1CCc2ccc(Br)cc2C1 2149905413 GNUPLTAYXXUNEH-UHFFFAOYSA-N 460.007 5.669 50 10 JKGE ClCc1nc2cc(Br)ccc2n1Cc1scc(Br)c1Br 2150564379 SSEZRUXTUMTJSZ-UHFFFAOYSA-N 499.453 6.172 50 10 JKGE FC(F)(F)c1cc(Cl)ccc1[C@H](Br)c1sc(Cl)cc1Br 2154477019 DFPKDFILEVIBHH-JTQLQIEISA-N 468.947 7.321 50 10 JKGE ClCc1nc2cc(I)ccc2n1C1[C@H]2CC[C@H]1CN(Cc1ccccc1)C2 2155536646 OBEJUPUYSZHGAC-IRXDYDNUSA-N 491.804 5.463 50 10 JKGE COc1cc(Br)c(C)cc1[C@H](Br)c1nn(C)c(Cl)c1Br 2167044494 XQKVGIXKPUEQRV-JTQLQIEISA-N 487.417 5.400 50 10 JKGE Fc1cc(Oc2cc(Br)cc(F)c2CBr)cc(F)c1Br 2170693057 HPEZTFYUBKBWNA-UHFFFAOYSA-N 474.896 6.316 50 10 JKGE Cc1cc(Br)c(CBr)c(N2CCC3(CCN(Cc4ccccc4)C3)CC2)c1 2173449107 GRRGTOLUZDHUKQ-UHFFFAOYSA-N 492.299 6.145 50 10 JKGE Brc1ccc([C@@H](Br)[C@@H]2CCc3ccccc3C2)c(Br)c1 2203685151 JCUPFWQNJMHMJR-DYVFJYSZSA-N 459.019 6.453 50 10 JKGE CCC[C@@H]1CN(C(=O)c2cc(Br)ccc2Br)C[C@H]1CBr 2205703166 MELKCJQBCBMSRN-GHMZBOCLSA-N 468.027 5.095 50 10 JKGE Cc1cc(Br)c([C@H](Br)[C@H]2C[C@H]3COC[C@H](C3)C2)cc1Br 2206752497 OYSOWYRWXZWZNF-AZKPJATDSA-N 467.039 6.019 50 10 JKGE Cc1ccc([C@H](Cl)c2sc(Cl)cc2Br)cc1I 2213001752 SDKSOXQQXMPHKX-NSHDSACASA-N 461.977 6.405 50 10 JKGE O=S(=O)(Cc1ccsc1Br)N(Cc1ccccc1)[C@@H](CBr)C1CC1 2213760306 DEOXRHMDEFKQFI-INIZCTEOSA-N 493.286 5.016 50 10 JKGE Cc1cc(Br)c([C@@H](Cl)c2sccc2Br)c(C)c1Br 2220157659 RQKRODHNFGKOER-GFCCVEGCSA-N 473.455 6.981 50 10 JKGE CCCN(CCCCCI)C1C[C@@H]2CC[C@H](C1)N2C(=O)OC(C)(C)C 2220214326 IFQMLFQFBJARPC-JWTNVVGKSA-N 464.432 5.234 50 10 JKGE CCOCc1cc(Br)c([C@@H](Br)c2ccccc2OCc2ccccc2)s1 2224792013 KWGTYOQTVZMVGL-FQEVSTJZSA-N 496.264 7.110 50 10 JKGE Fc1cc(Br)c(Br)cc1[C@H](Br)CCOCC(F)(F)F 2225615944 BGQFTTVYHBRUBB-SSDOTTSWSA-N 472.896 5.756 50 10 JKGE Cc1cc(Br)c([C@@H](Br)C2CCC(C)CC2)c(C)c1Br 2227348669 OQFMEECTVPRMJP-HPORSDFZSA-N 453.056 7.091 50 10 JKGE Cc1cc(Br)c([C@H](Br)[C@H]2[C@H]3COCC[C@H]32)c(C)c1Br 2227363105 TXXHQQHUOIMZFQ-JLBHGKSJSA-N 453.012 5.547 50 10 JKGE C[C@@H]1O[C@H](C)[C@H]([C@H](Br)c2c(Br)cc(Cl)c(Cl)c2Cl)[C@H]1C 2232508739 AQEOOUTZOYTKQG-NKODLTJCSA-N 465.440 6.905 50 10 JKGE Fc1cccc([C@@H](Cl)c2c(Br)cc(Cl)c(Cl)c2Cl)c1Br 2232511401 JWXNJKCXBSXMLB-LLVKDONJSA-N 481.801 7.639 50 10 JKGE CCCOc1ccc([C@H](Br)c2scc(Br)c2C)cc1Br 2234517513 PFVHVZWBBCVDTP-AWEZNQCLSA-N 483.063 6.855 50 10 JKGE Cc1ccc(I)c(-n2c(CCl)nc3cc(Br)ccc32)c1 2240632833 PIKIVCFCLJSBFJ-UHFFFAOYSA-N 461.528 5.440 50 10 JKGE Fc1cc(Cl)c([C@H](Br)c2sccc2Br)cc1Br 2249414128 PXRHRZVWUUURJF-JTQLQIEISA-N 463.391 6.550 50 10 JKGE Fc1cccc(I)c1[C@@H](Br)Cc1ccncc1Br 2255958051 XUSNYLLDBVYVHB-VIFPVBQESA-N 484.932 5.267 50 10 JKGE Fc1cccc(Br)c1[C@H](Br)c1cc2sc(Br)cc2s1 2278019698 JRAIZCHCUSOCAI-CYBMUJFWSA-N 485.035 7.111 50 10 JKGE COc1cc(C=C(C#N)C(=O)Nc2ccccc2)c(Br)cc1OCc1ccccc1Cl 2293792095 JCWDEGORJBDQPZ-UHFFFAOYSA-N 497.776 6.236 50 10 JKGE COCC1([C@@H](Br)c2cc(Br)c(C)cc2Br)CC(F)(F)C1 2295627545 LXMNANRHFVBTKF-LBPRGKRZSA-N 476.981 6.018 50 10 JKGE Cc1ccc(N2C(=O)[C@H](Cc3ccccc3Cl)SC2=C(C#N)C(=O)Nc2ccccc2)cc1 2296834875 WIYKRNRJDWWRGI-QHCPKHFHSA-N 473.985 5.713 50 10 JKGE COc1ccc(C=C(C#N)c2nc(-c3ccccc3)c(NC(=O)c3ccc(C)cc3)s2)cc1 2297456276 VHZOAEKNPKEMHO-UHFFFAOYSA-N 451.551 6.444 50 10 JKGE N#CC(=Cc1c(Br)cc(Br)c(O)c1Br)c1nc2ccccc2[nH]1 2297531917 GMWVAQALHULSBB-UHFFFAOYSA-N 497.972 5.620 50 10 JKGE Brc1ccc(OCc2ccccc2)c([C@H](Br)[C@@]23CCCC[C@H]2C3)c1 2299501258 MKNCFRDCIKGJLT-ORYQWCPZSA-N 450.214 7.044 50 10 JKGE CCN(C[C@@](C)(CI)O[C@@H](CC1CC1)C1CC1)C(=O)OC(C)(C)C 2303851027 YMBIRNFDIAEQML-QFBILLFUSA-N 451.389 5.032 50 10 JKGE CCOC(=O)c1ccc(NC(=O)C(C#N)=Cc2ccc(OCc3ccccc3Cl)cc2)cc1 2313541311 AOWXYVXQLJIHDJ-UHFFFAOYSA-N 460.917 5.641 50 10 JKGE CCOc1cc(C=C(C#N)C(=O)Nc2ccccc2F)ccc1OCc1cccc(Cl)c1 2313630686 DTKZYXYSJBJWMP-UHFFFAOYSA-N 450.897 6.002 50 10 JKGE CC(C)Oc1ccc(Br)cc1C=C(C#N)C(=O)Nc1ccc(Cl)c(Cl)c1 2313631358 ORXAJWRDJDFODR-UHFFFAOYSA-N 454.151 6.089 50 10 JKGE Brc1ccc(OCc2ccccc2)c([C@H](Br)[C@@]23CCC[C@@H](C2)OC3)c1 2314453928 AKNQSEDJOBAASH-YYWHXJBOSA-N 466.213 6.423 50 10 JKGE CCOc1ccc(N2C(=O)[C@@H](Cc3ccc(C)cc3)SC2=C(C#N)C(=O)NCc2ccccc2)cc1 2314593277 KUCQKYJEXKHNPX-AREMUKBSSA-N 497.620 5.136 50 10 JKGE COc1cc(C=C(C#N)c2ccc(Cl)cc2)ccc1OC(=O)COc1ccc(Cl)c(C)c1 2314720280 KQSHDLNAKMTKFV-UHFFFAOYSA-N 468.336 6.359 50 10 JKGE CCCOc1ccccc1C=C(C#N)C(=O)Oc1ccc(C=C(C#N)c2ccc(Cl)cc2)cc1OC 2314773808 CMMMNQZYIJFURO-UHFFFAOYSA-N 498.966 6.714 50 10 JKGE CC1([C@@H](Br)c2c(Cl)cc(Br)c(F)c2Br)CC(F)C1 2315441997 NZJDHQASTOZMAV-JTIOZCSCSA-N 467.373 6.578 50 10 JKGE CCCc1sc(Br)cc1[C@@H](Br)c1cc(Br)n(C)n1 2316181204 XNSXPJOOROUNHV-GFCCVEGCSA-N 457.029 5.443 50 10 JKGE Clc1cc(I)c([C@@H](Br)c2ccc3scnc3c2)s1 2316601472 SYTYWCBDMLECJB-NSHDSACASA-N 470.582 6.100 50 10 JKGE CCc1ccc(-c2csc(C(C#N)=C(O)[C@@H]3CC(=O)N(c4cc(Cl)ccc4OC)C3)n2)cc1 2331245709 LZPBZLJAJMQBCZ-QGZVFWFLSA-N 479.989 5.880 50 10 JKGE COc1ccc(Cl)cc1-c1csc(C(C#N)=C(O)CNC(=O)c2ccc(Cl)cc2Cl)n1 2331410855 LIAHQTZFXRNCHV-UHFFFAOYSA-N 494.787 6.002 50 10 JKGE Fc1ccc(C[C@H](Br)c2cc(Br)ccc2OCc2ccccc2)c(F)c1 2336047193 JYILOIROBUBHOR-IBGZPJMESA-N 482.162 6.985 50 10 JKGE Cc1ccc(Oc2cc(Cl)c(C)cc2I)c(CBr)n1 2336557318 WZFYHOQOJUFAHF-UHFFFAOYSA-N 452.517 5.644 50 10 JKGE Fc1c(Br)cc(Cl)c([C@@H](Br)[C@H]2[C@@H]3CCCO[C@@H]32)c1Br 2337098382 QHBYUZXIINYLHZ-BIOHDNSGSA-N 477.393 5.865 50 10 JKGE Clc1ccc(CN2CC[C@@H]3CC[C@H](Br)[C@H]2C3)cc1I 2337218591 KGKFSPQSQMWORV-ITDIGPHOSA-N 454.577 5.083 50 10 JKGE CCCc1sc(Br)cc1[C@H](Cl)c1c(F)cccc1I 2338021278 RFGNEDYUNGTFPH-AWEZNQCLSA-N 473.576 6.535 50 10 JKGE COCc1cc(Br)c([C@H](Cl)c2c(Br)c(Br)nn2C)s1 2338859619 HEIRQCBBRVZTRE-MRVPVSSYSA-N 493.446 5.244 50 10 JKGE Cc1cc(Br)c(F)c(Br)c1[C@@H](Br)c1ccc(F)cc1 2339645964 MSPFHVXVLXLUNL-LBPRGKRZSA-N 454.934 6.283 50 10 JKGE C[C@@H](Cl)c1nc2cc(I)c(F)cc2n1[C@@H]1CN(Cc2ccccc2)C[C@H]1C 2357223175 MSWXUYHAOBBNGS-ARGWCVDVSA-N 497.783 5.773 50 10 JKGE FC(F)(F)C1([C@@H](Cl)c2ccc(OCc3ccccc3)cc2Br)CCOCC1 2361174372 XQIYYQLCDFLZTN-SFHVURJKSA-N 463.721 6.667 50 10 JKGE FC(F)(F)[C@H]1C[C@H](Br)CCN1Cc1cc(Br)ccc1Br 2361431658 YLADHBJUSXWUQR-ZYHUDNBSSA-N 479.960 5.502 50 10 JKGE Clc1ccc(CN2[C@H]3CCCC[C@H]3C[C@@H]2CBr)cc1I 2362376761 YDUKGAZTEFZJDW-ZENOOKHLSA-N 468.604 5.473 50 10 JKGE COc1c(Br)cc(C)c([C@@H](Br)C23CC(C)(CO2)C3)c1Br 2365221100 ZTJQKPPNWLTONA-WLYUNCDWSA-N 469.011 5.534 50 10 JKGE O=[N+]([O-])c1sc(CBr)cc1OCc1ccc(Cl)cc1I 2365646789 DFNCSEUDQAUPNS-UHFFFAOYSA-N 488.528 5.388 50 10 JKGE Fc1cc(Cl)c([C@H](Cl)c2cc(Br)c(Br)cc2F)c(Cl)c1 2366404915 JPGKEZNYQUDZIR-CYBMUJFWSA-N 465.346 7.125 50 10 JKGE FC(F)(F)[C@@H]1C[C@H](Br)CCN1Cc1ccc(Cl)cc1I 2366713726 BKXZQXDPGDJYQY-SKDRFNHKSA-N 482.509 5.235 50 10 JKGE Clc1csc([C@@H](Br)c2cc3c(cc2Br)OCCC3)c1Cl 2369615293 IHNDAAWDTSWKDJ-LBPRGKRZSA-N 457.014 6.627 50 10 JKGE C[C@@H]1[C@H](C(F)(F)F)N(C[C@@](C)(CBr)C(C)(C)C)CCN1C(=O)OC(C)(C)C 2380173670 FQKXJKJXRGGKKF-HBUWYVDXSA-N 459.391 5.306 50 10 JKGE Cc1cc(Br)c(C(C)C)cc1[C@H](Br)c1c(Br)ncn1C 2380951643 JQCLSXWWFQPJSR-ZDUSSCGKSA-N 465.027 5.861 50 10 JKGE COc1cccc(/C=C(\C#N)S(=O)(=O)c2ccccc2)c1OCc1c(Cl)cccc1Cl 1788445 KCGRXLMSSMAHAG-QGOAFFKASA-N 474.365 5.919 50 10 JKGE COc1cc(OC)c(/C=N/NC(=O)c2sc3ccccc3c2Cl)cc1Br 12573226 SNJCUJIXTLWFKE-ZVBGSRNCSA-N 453.745 5.098 50 10 JKGE O=C(COc1ccc(Br)cc1Br)N/N=C/c1cccc(Cl)c1Cl 12583820 GPWNHSCGPOQUCF-IFRROFPPSA-N 480.971 5.048 50 10 JKGE CC[C@H](Oc1ccc(-c2ccccc2)cc1)C(=O)NNC(=O)c1ccc(NC(=O)c2ccccc2)cc1 14768841 PTTJHMLLLKAXST-MHZLTWQESA-N 493.563 5.225 50 10 JKGE N#C/C(=C/c1cccc(OC(=O)CCCOc2ccc(Cl)cc2Cl)c1)c1ccccc1F 31902852 CCKIVNVOZFJYDC-AQTBWJFISA-N 470.327 6.961 50 10 JKGE CCOC(=O)c1c(NC(=O)/C(C#N)=C\c2cccc(OCc3ccccc3)c2)sc2c1CCCC2 33707526 ZINCOMKARZZHIR-QNGOZBTKSA-N 486.593 5.928 50 10 JKGE CC(C)c1ccc(OCC(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@H]3c2ccccc2F)cc1 38652250 IBUMKNQKPYCNEI-SANMLTNESA-N 458.489 5.152 50 10 JKGE COc1ccc(OC)c([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4cccc5ccccc45)ccc32)c1 38659872 SCWHNABXBGAVRQ-MHZLTWQESA-N 478.504 5.294 50 10 JKGE CCCCOc1ccccc1C(=O)Oc1ccc2c(c1)OC(N)=C(C#N)[C@H]2c1cccc(F)c1 38678353 GXDWSPJEHXZGGA-VWLOTQADSA-N 458.489 5.442 50 10 JKGE CCOc1cccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)Cc4ccc(Cl)cc4)ccc32)c1 38685009 XSOUVMASXISOPC-VWLOTQADSA-N 460.917 5.105 50 10 JKGE CCN(C(=O)c1oc2c(c1C)/C(=N/NC(=O)c1cccc3ccccc13)CCC2)c1cccc(C)c1 40813614 SDSOEMLKDFWDRL-QCKNELIISA-N 479.580 6.187 50 10 JKGE Cc1ccnc(NC(=O)c2oc3c(c2C)/C(=N/NC(=O)c2cccc4ccccc24)CCC3)c1 40813631 GOUDWRJKMUSPBT-MWAVMZGNSA-N 452.514 5.167 50 10 JKGE COc1cc(/C=C(/C#N)C(=O)NCc2ccco2)ccc1OCc1c(Cl)cccc1Cl 40889329 GWIRLIDCQPDKIU-YBEGLDIGSA-N 457.313 5.397 50 10 JKGE CCCOc1ccc(/C=C(\C#N)C(=O)Nc2nc(-c3ccc(Br)cc3)c(CC)s2)cc1 41013351 QJSADFQMUXIPSF-NBVRZTHBSA-N 496.430 6.469 50 10 JKGE C=CCc1cc(/C=N\NC(=O)CC[C@H](O)c2ccccc2)cc(OC)c1OCc1ccccc1F 58892044 PINSTDQPUFJQKV-NYFJFQCHSA-N 476.548 5.106 50 10 JKGE CCOc1ccc([C@@H](O)CCC(=O)N/N=C\c2ccc(OCc3ccc(Cl)cc3)cc2)cc1 58893700 MJYFQJHPDLTUOK-PFQJNYNCSA-N 466.965 5.282 50 10 JKGE Cc1cccc(C)c1OCCOc1ccc(/C=C(/C#N)C(=O)Nc2nc3ccccc3s2)cc1 102444135 UMLDKELXPWLTGN-PGMHBOJBSA-N 469.566 5.917 50 10 JKGE CCOC(=O)/C(C#N)=C1/S[C@@H](Cc2ccccc2Cl)C(=O)N1c1ccc(Br)cc1 102974640 GDIQDTMPRZILET-CSRGTXSUSA-N 491.794 5.092 50 10 JKGE Cc1cc(Br)c([C@@H](Br)c2cccc(I)c2)s1 114542652 KBXJDFQVAYHOHH-NSHDSACASA-N 471.983 5.908 50 10 JKGE BrCC(CBr)(CCC[C@@H]1CCCO1)c1ccc(Br)cc1 118878552 NEAONRHYLVFDLT-OAHLLOKOSA-N 469.055 5.826 50 10 JKGE ClCc1nc2cc(Cl)c(Cl)cc2n1-c1ccc(Br)cc1Br 125181976 OKRHIQMISJITGS-UHFFFAOYSA-N 469.391 6.596 50 10 JKGE Fc1cccc(C[C@@H](CBr)c2cccc(Br)c2)c1Br 157911053 CSRSIIWTOQOIAJ-LBPRGKRZSA-N 450.971 6.072 50 10 JKGE Cc1cccc([C@@H](Br)c2cc(Br)c(Br)s2)c1Cl 163013416 VVYWLPICGRIVLN-SNVBAGLBSA-N 459.428 6.719 50 10 JKGE CCCCCCCCCOc1ccc(/C=C(/C#N)c2nc3cc(C)c(C)cc3[nH]2)cc1Cl 169939939 NWUAMBRHGREGMJ-JWGURIENSA-N 450.026 8.027 50 10 JKGE CCOc1cc(/C=C(\C#N)C(=O)NCc2ccco2)ccc1OC(=O)/C=C\c1ccc(C(C)C)cc1 206680418 WWAPHIMCWYSIKI-MHUHWZPYSA-N 484.552 5.644 50 10 JKGE Clc1sc([C@@H](Cl)c2ccc3cc(Br)ccc3c2)cc1Br 227843153 SUQKPMKTVVZMHV-AWEZNQCLSA-N 451.010 7.408 50 10 JKGE O=C1NCCCc2ccc([C@@H](Br)c3cc(Br)c(Br)s3)cc21 228228649 SUFWOYRTIJQBOV-CYBMUJFWSA-N 494.046 5.433 50 10 JKGE C[C@H](NC(=O)N[C@H]1CC(C)(C)C[C@](C)(CN=C=O)C1)C1(c2ccc(Br)cc2)CC1 243936832 RVKLWLHLMJKZSF-XWFZLUIHSA-N 462.432 5.089 50 10 JKGE CC(C)CCC[C@@H](C)[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 253530288 XOLVVFSHDULKRS-IETFNLJSSA-N 477.173 8.567 50 10 JKGE biogenic Cc1nn(-c2ccccc2)c(N2CCCCC2)c1/C=N/NC(=O)CCCNc1ccc(Cl)cc1 253562731 DPVCDEJSYDHDND-VUTHCHCSSA-N 479.028 5.167 50 10 JKGE COc1ccc(C(C)=NNC(=O)CSc2nc3ccccc3n2Cc2ccc(C)cc2)cc1OC 254296742 LBCFEOYBYWBLSS-UHFFFAOYSA-N 488.613 5.043 50 10 JKGE O=C(NN=Cc1ccc(Oc2ccc(C(F)(F)F)cc2[N+](=O)[O-])cc1)c1cc2ccccc2o1 254595786 NYACYFUAAHQBPQ-UHFFFAOYSA-N 469.375 5.916 50 10 JKGE Fc1cncc(COc2c(Br)cc(Br)cc2CBr)c1 394421161 RBZRJCGFVLUWSX-UHFFFAOYSA-N 453.931 5.220 50 10 JKGE Clc1sc([C@@H](Br)c2ncsc2Br)cc1Br 698611975 XEGPDKVIFGQNEV-RXMQYKEDSA-N 452.418 5.867 50 10 JKGE Fc1cc(F)c([C@@H](Cl)c2ccc(I)c(Br)c2)cc1F 721606959 YFUQCBZYLCXGBF-ZDUSSCGKSA-N 461.446 5.799 50 10 JKGE CC(C)(C)OC(=O)N1C[C@@H](CI)[C@@H](c2ccc(F)c(C(F)(F)F)c2)C1 725418065 DVIIBQBTFALKBP-VXGBXAGGSA-N 473.248 5.230 50 10 JKGE N#C/C(=C\c1cn(Cc2ccc(F)cc2)c2ccccc12)C(=O)Nc1cccc(Cl)c1Cl 1083976630 SOTOESDHODQROG-SFQUDFHCSA-N 464.327 6.681 50 10 JKGE N#C/C(=C/c1cn(Cc2ccc(Cl)cc2Cl)c2ccccc12)C(=O)Nc1cccc(Cl)c1 1084101099 VNDKBODPGBAANL-YVLHZVERSA-N 480.782 7.195 50 10 JKGE O=C(CSc1nnc(-c2ccccc2)n1-c1ccccc1)NNc1ccccc1C(F)(F)F 1086850322 ZZPSVMQSSVQPHI-UHFFFAOYSA-N 469.492 5.189 50 10 JKGE O=C(Oc1c(Cl)cc(Cl)cc1Sc1cc(Cl)cc(Cl)c1O)C(Cl)Cl 1614804972 FNNXKKYADXDEPQ-UHFFFAOYSA-N 466.984 6.866 50 10 JKGE N#CSc1ccc(NC(=O)Oc2ccc(CNC(=O)CCCc3ccc(Cl)cc3)cc2)cc1 1858906991 FGPZHSYABPGCFF-UHFFFAOYSA-N 479.989 6.163 50 10 JKGE CCc1nn(Cc2c(F)cccc2Cl)c2c1[C@H](c1c(F)cccc1Cl)C(C#N)=C(N)O2 1865685810 NFMIXAOXWBQKGB-SFHVURJKSA-N 461.299 5.297 50 10 JKGE CCCCCOc1ccc([C@H]2C(C#N)=C(N)Oc3c2c(CCC)nn3-c2ccccc2Cl)cc1 1865690636 XQWSWNCBBZYDLW-DEOSSOPVSA-N 477.008 6.265 50 10 JKGE Cc1ccc(COc2ccc([C@H]3C(C#N)=C(N)Oc4c3c(C)nn4Cc3ccccc3Cl)cc2)cc1 1865692115 AUFQUMIYEKVYPX-MHZLTWQESA-N 496.998 5.999 50 10 JKGE N#CC1=C(N)Oc2c(c(C(F)(F)F)nn2-c2ccccc2Cl)[C@H]1c1c[nH]c2ccccc12 1865699819 DCCIGWXMPHDQEM-QGZVFWFLSA-N 455.827 5.244 50 10 JKGE CCCc1nn(Cc2c(F)cccc2Cl)c2c1[C@H](c1ccc(N(CC)CC)cc1)C(C#N)=C(N)O2 1865701631 AATMHKDEIYIMIQ-XMMPIXPASA-N 494.014 5.741 50 10 JKGE COc1cc([C@H]2C(C#N)=C(N)Oc3c2c(C(F)(F)F)nn3-c2ccc(Cl)c(Cl)c2)ccc1O 1865705812 GMNQBILJXNASPE-INIZCTEOSA-N 497.260 5.130 50 10 JKGE COc1ccc([C@@H]2C(C#N)=C(N)Oc3c2c(-c2ccccc2)nn3Cc2cc(C)ccc2C)cc1OC 1865707144 PALUSTRCAUKFMG-AREMUKBSSA-N 492.579 5.451 50 10 JKGE N#C/C(=C\c1ccc(Br)cc1)C(=O)NC[C@@H](c1c(F)cccc1Cl)N1CCCC1 1866128698 HGGXBIAERCCQFT-GRFAERAESA-N 476.777 5.102 50 10 JKGE CC/C(=C\C(=O)N[C@H](C(=O)Nc1ccc(SC#N)cc1)c1ccccc1)c1ccc(OC)cc1 1866687735 MQEADCOJIBSXRE-GHZVVNKJSA-N 471.582 5.558 50 10 JKGE Cc1ccc(C(C)(C)CCC(=O)N[C@H](Cc2ccccc2)C(=O)Nc2ccc(SC#N)cc2)cc1 1866790525 BGGFCROTYHUPSV-AREMUKBSSA-N 485.653 5.992 50 10 JKGE COc1cccc(-c2nc(Nc3ccc(SC#N)cc3)cc(N3CCc4nc[nH]c4[C@@H]3C(C)C)n2)c1 1868505996 OZYJBJITAGEAEV-SANMLTNESA-N 497.628 5.952 50 10 JKGE COC(=O)c1ccc(/C(C#N)=C/c2cccc(OC)c2OCc2ccc(Br)cc2)o1 1872728759 ROLARQDPVXSRSQ-SFQUDFHCSA-N 468.303 5.480 50 10 JKGE CCOC(=O)c1ccc(N2C[C@@H](/C(O)=C(\C#N)c3nc(-c4ccc(F)c(F)c4)cs3)CC2=O)cc1 1872751464 JDJUCBLTUIOEME-CYMZXICGSA-N 495.507 5.111 50 10 JKGE CCCCCCCOc1ccc(-c2csc(/C(C#N)=C(\O)Cc3ccc(OC)cc3)n2)cc1 1872753468 YPGANVSZXLQDCR-LCUIJRPUSA-N 462.615 7.203 50 10 JKGE CCOc1ccc(OCC)c(-c2csc(/C(C#N)=C(\O)[C@@H]3CC(=O)N(Cc4ccccc4)C3)n2)c1 1872754774 IGEATFUKNMONEV-JEOADQEBSA-N 489.597 5.449 50 10 JKGE COc1c(C)cc(C)cc1-c1csc(/C(C#N)=C(\O)[C@@H](C(C)C)N2C(=O)c3ccccc3C2=O)n1 1872754899 OHHAVKFAOHZWHH-LAGVDGIJSA-N 487.581 5.549 50 10 JKGE CCOc1ccc(-c2csc(/C(C#N)=C(O)/C=C\c3ccc(Cl)cc3)n2)c(OCC)c1 1872755586 VEXOBEXOROGSGT-OLRGCJMOSA-N 452.963 6.767 50 10 JKGE COc1ccc(C(C)(C)C)cc1-c1csc(/C(C#N)=C/c2ccc(OC(=O)c3ccccc3)cc2)n1 1872793020 DERRQVGVQHRXJN-CJLVFECKSA-N 494.616 7.400 50 10 JKGE Clc1ccc(CN(CCCBr)Cc2ccccc2)c(I)c1 1889651836 LWUGIKYQSLBRAG-UHFFFAOYSA-N 478.599 5.732 50 10 JKGE C[C@@H](Cl)CN(Cc1ccccc1)C(=O)c1cc(Br)ccc1I 1914639541 TVDJRCZTJZWSMN-GFCCVEGCSA-N 492.582 5.323 50 10 JKGE O=S(=O)(c1c(Cl)cc(Br)cc1Cl)N(Cc1ccccc1)[C@@H](CCl)C1CC1 1915151451 GJRNNIOHMBCTJW-KRWDZBQOSA-N 497.669 5.964 50 10 JKGE O=C(c1cc(Br)ccc1Cl)N(Cc1ccccc1)[C@@H](CBr)C1CC1 1915314760 SLMYIACJOZSXJV-SFHVURJKSA-N 471.620 5.918 50 10 JKGE Brc1cc(Br)c([C@H](Br)c2ccc3c(c2)CCCC3)s1 1922907375 SWJILHRZRRRARY-CQSZACIVSA-N 465.048 6.636 50 10 JKGE C[C@H]1C[C@@H]([C@H](Br)c2c(Br)sc(Br)c2Cl)C[C@@H](C)O1 1923065910 IYKOKQMHJXIUOP-SZACMFPPSA-N 481.475 6.566 50 10 JKGE Cc1ccccc1C[C@@H](Cl)c1c(Br)sc(Br)c1Br 1924586232 VOXHFGGIXCHUDF-SECBINFHSA-N 473.455 6.867 50 10 JKGE Cl[C@H](c1c(Br)sc(Br)c1Br)[C@@H]1C[C@@H]1c1ccccc1 1924596996 WIKPETJGOIAHDQ-LNLATYFQSA-N 485.466 7.119 50 10 JKGE CC(C)=CCCCCCC[C@H]1[C@H](CC=C(C)C)[C@H](O[Si](C)(C)C)C[C@H]1O[Si](C)(C)C 1933278095 RZDOPDZMBDSQRN-QEGGNFSNSA-N 452.872 8.726 50 10 JKGE Brc1cc([C@H](Br)[C@@H]2CCn3ccnc3C2)sc1Br 2046634028 OLFITQKRPQVGEG-RDDDGLTNSA-N 455.013 5.168 50 10 JKGE FC(F)(F)c1cccc(Cn2nc(CCl)c(I)c2C(F)(F)F)c1 2079208485 SANFPRSTHMOARY-UHFFFAOYSA-N 468.566 5.312 50 10 JKGE Fc1c(-n2nc(CCl)c(I)c2C(F)(F)F)cccc1C(F)(F)F 2079212212 MOTGHUSCWSNFAP-UHFFFAOYSA-N 472.529 5.392 50 10 JKGE COc1ccc(Cn2nc(CBr)c(Br)c2C(F)(F)F)c(C)c1C 2079232422 VKTDZLWLAHJLJH-UHFFFAOYSA-N 456.100 5.233 50 10 JKGE Cc1cc([C@@H](Br)c2ccc(Br)c(C)c2Br)sc1C 2083337618 JXWWERRZCNGCDE-AWEZNQCLSA-N 453.037 6.683 50 10 JKGE Cl[C@H](c1ccc(I)c(Br)c1)c1cc2sccc2s1 2084768926 DNCBGRNOVVAOMK-CYBMUJFWSA-N 469.594 6.658 50 10 JKGE Brc1cc(Br)c([C@@H](Br)C2C[C@H]3COC[C@H](C2)C3)s1 2085747505 MRFUXOCYBWFPRL-UBJUHAIHSA-N 459.041 5.772 50 10 JKGE CCOc1ccc([C@H](Br)c2ccc(I)c(Cl)c2)s1 2086380211 CYYAZUXTIKDNEZ-CYBMUJFWSA-N 457.558 5.889 50 10 JKGE Clc1c(Br)cccc1[C@H](Br)c1cc(C2CC2)c(Br)s1 2094674517 WMCOBMZHVQYLHS-LBPRGKRZSA-N 485.466 7.288 50 10 JKGE Fc1cc(Cl)c(Br)cc1[C@H](Cl)c1cccc(Br)c1Br 2097829152 XDSSOBVWJKBGMB-CYBMUJFWSA-N 491.807 7.095 50 10 JKGE Cc1cc(Br)c([C@H](Br)C23CCC(F)(CC2)C3)cc1Br 2101278520 UPOKJIJVWJUBEP-NFOMZHRRSA-N 455.003 6.628 50 10 JKGE Cl[C@@H](c1c(Br)sc(Br)c1Br)[C@@H]1CCn2ccnc2C1 2108963442 VFZBWNIGISHTKA-LHLIQPBNSA-N 489.458 5.775 50 10 JKGE Brc1ccc(Br)c([C@H](Br)c2scc3c2CCCC3)c1 2130558905 NXYACAOWGGMIDV-AWEZNQCLSA-N 465.048 6.636 50 10 JKGE CCc1nc([C@H](Br)c2cc(Br)c(Cl)cc2C)c(Br)s1 2137638775 AARVJOMTPKQFKS-LLVKDONJSA-N 488.470 6.677 50 10 JKGE Cc1c(Br)ccc([C@@H](Br)c2cc(F)ccc2Cl)c1Br 2138848663 BKOJNCSSFASNRL-CQSZACIVSA-N 471.389 6.797 50 10 JKGE Cc1c(F)ccc([C@H](Br)c2cc(Br)ccc2Br)c1C 2138891189 SFKDLFQJKPHNDX-HNNXBMFYSA-N 450.971 6.452 50 10 JKGE COc1c(Br)cc(C)cc1[C@@H](Cl)c1cccc(I)c1 2139017653 WZRPXQKAJTXEKR-AWEZNQCLSA-N 451.529 5.699 50 10 JKGE Cc1cc(F)c(F)cc1[C@H](Br)c1cccc(Br)c1Br 2139633415 WDOFMMOGAKHPRJ-CYBMUJFWSA-N 454.934 6.283 50 10 JKGE Cl[C@@H](c1ccc(-c2cccs2)s1)c1cc(Br)sc1Br 2140971905 UJFQGZIGKKHDKH-GFCCVEGCSA-N 454.661 7.391 50 10 JKGE BrCCC[C@@H]1CCCCN1Cc1cc(Br)ccc1Br 2141700175 CUKNXFPECIFEAR-AWEZNQCLSA-N 454.044 5.741 50 10 JKGE Brc1ccc(C[C@@H](Br)c2cc(Br)c3c(c2)CCO3)cc1 2146625752 BOOPRSGJDFGAJV-CQSZACIVSA-N 460.991 5.825 50 10 JKGE Fc1cc(F)c(F)c([C@H](Br)c2cccc(Br)c2Br)c1F 2148751669 LFSYEVORRJQJOO-LLVKDONJSA-N 476.887 6.252 50 10 JKGE O=C(NC[C@@H]1CCCC[C@H]1CBr)c1c(Br)cccc1Br 2150491682 RPCNFIHTANAWGD-QWRGUYRKSA-N 468.027 5.143 50 10 JKGE O=C(NC[C@@H]1CCCC[C@@H](Br)C1)c1cc(Cl)ccc1I 2163745188 FQOHMRFXQRIITF-GHMZBOCLSA-N 470.576 5.018 50 10 JKGE CN([C@H]1CC[C@@H]1OCc1ccccc1)S(=O)(=O)c1cc(CBr)c(Cl)cc1Cl 2179835558 UVSNAVJBOMQBDH-ROUUACIJSA-N 493.250 5.257 50 10 JKGE CC(C)C(CCO[C@H](CI)c1ccc(Br)cc1)C(C)C 2189251518 IZANIVBBFCWGCR-QGZVFWFLSA-N 453.202 6.260 50 10 JKGE CCCNCc1cc(Br)cc(Br)c1OC[C@H]1C[C@H](Br)C1 2196906068 ZAAYHENNECZJOC-UMSPYCQHSA-N 470.043 5.264 50 10 JKGE CCC[C@@H](CC(C)C)[C@@H](Br)c1c(C)c(Br)cc(C)c1Br 2201081983 LSIKYTLPUNHJKU-SUMWQHHRSA-N 469.099 7.727 50 10 JKGE Cc1c(Br)csc1[C@H](Cl)c1cc(Br)sc1Br 2210635585 LDBCTJAWKVGXRF-MRVPVSSYSA-N 465.457 6.734 50 10 JKGE CC[C@@](C)(CCCC(C)C)O[C@](C)(CI)CNC(=O)OC(C)(C)C 2213739568 FUVIXMHUBHOLQB-RBUKOAKNSA-N 455.421 5.716 50 10 JKGE Cc1ccc(I)c([C@H](Br)c2ccc(F)c(Br)c2)c1 2224056649 ZTMDUWPUWQZVNG-CQSZACIVSA-N 483.944 5.986 50 10 JKGE C[C@H](Cl)c1nc2cc(Br)c(Br)cc2n1C[C@H]1C[C@@H]1Br 2225696713 IITXAPWTPRBYQA-RNJXMRFFSA-N 471.418 5.645 50 10 JKGE Cc1cc(Br)c([C@@H](Cl)c2c(Br)cnn2C)c(C)c1Br 2227355528 NBSLWVICLLUZEN-GFCCVEGCSA-N 471.418 5.653 50 10 JKGE Cc1cc(Br)c([C@H](Br)CC[C@H]2CCOC2)c(C)c1Br 2227358256 ZMSXQZMTDDESEM-NWDGAFQWSA-N 455.028 6.081 50 10 JKGE Cc1cc(Br)c([C@@H](Br)c2c(C)coc2C)c(C)c1Br 2227366799 GJCFZRUZQDPJKQ-HNNXBMFYSA-N 450.996 6.523 50 10 JKGE FC(F)(F)[C@@H]1CCO[C@@H]1[C@H](Br)c1c(Cl)sc(Br)c1Cl 2231818654 CXIULIDWOASDEE-JNKKYWAOSA-N 462.940 6.221 50 10 JKGE Clc1cc(Br)c([C@@H](Br)[C@H]2CC3(CCC3)CO2)c(Cl)c1Cl 2232512484 NJGWMEYSFHBTCZ-KOLCDFICSA-N 463.424 6.805 50 10 JKGE Cc1cc(Br)c([C@@H](Cl)Cc2ccc(Br)cc2)c(C)c1Br 2235607518 ZLPRAIRLHDRGHI-AWEZNQCLSA-N 481.453 7.114 50 10 JKGE Fc1ccc([C@H](Br)c2ccc3c(c2Br)CCO3)c(Br)c1 2238082687 QRWWKZMXWCHWOV-AWEZNQCLSA-N 464.954 5.770 50 10 JKGE Cc1cc([C@H](Br)c2sc(C)c(C)c2Br)ccc1Br 2253473116 LBBRPUZUONKTHP-ZDUSSCGKSA-N 453.037 6.683 50 10 JKGE Clc1c(Br)sc(Br)c1[C@@H](Br)C[C@H]1CCCC12CC2 2255252482 AMOJRSVBYGDVQA-SFYZADRCSA-N 477.487 7.333 50 10 JKGE Cc1sc(Br)c(C)c1[C@@H](Cl)c1c(F)cccc1I 2255900755 IOKOWJIIAMNTQW-GFCCVEGCSA-N 459.549 6.199 50 10 JKGE COc1c([C@H](Cl)c2c(Br)sc(Br)c2Cl)csc1Cl 2256857057 RZNQJMYEUFVHCE-YFKPBYRVSA-N 471.450 6.978 50 10 JKGE Fc1cc(Br)c(F)c(Br)c1[C@H](Br)[C@@H]1C[C@@H]2C[C@@H]2CO1 2272747543 LGGNAJMJLXRCER-LFLRCTCGSA-N 460.938 5.351 50 10 JKGE C[C@@H]1C[C@H]([C@H](Br)c2c(F)cc(Br)c(F)c2Br)CCO1 2272839159 DRJVUGDWXNRXPS-AMXGMDGSSA-N 462.954 5.741 50 10 JKGE Cc1c(Br)cccc1[C@@H](Cl)Cc1cc(Br)cc(Br)c1 2277957753 WPKNMTMBXGFWKX-HNNXBMFYSA-N 467.426 6.805 50 10 JKGE Brc1ccc(C[C@@H](Br)c2cc3sc(Br)cc3s2)cc1 2278023836 RPIYPBFOQDRUMT-SNVBAGLBSA-N 481.072 7.167 50 10 JKGE Cc1ccc(CBr)cc1NC(=O)c1scc(Br)c1Br 2278658763 OOZCSRUXTKYOPC-UHFFFAOYSA-N 468.008 5.729 50 10 JKGE Brc1ccc(Br)c(CN2C[C@H](Br)C[C@@H]3CCCC[C@@H]32)c1 2279519654 FKYGILGBABGOOM-PEYYIBSZSA-N 466.055 5.740 50 10 JKGE C[C@@H](c1ccncc1Br)[C@H](Br)c1cc(F)c(Br)cc1Cl 2282906297 ABVUWJJZVLUEIU-WJWGPLDTSA-N 486.404 6.639 50 10 JKGE COc1c([C@@H](Br)c2cc(Br)cs2)cc(Br)c2c1CCC2 2284515154 JSJLNTVAFQNWEN-CQSZACIVSA-N 481.047 6.255 50 10 JKGE Fc1cc([C@H](Br)c2cc(Br)c(F)cc2Cl)c(F)cc1Br 2285985708 LXZGETNSWZDRDE-CYBMUJFWSA-N 493.342 6.767 50 10 JKGE COc1cc(C)c([C@H](Br)c2csc(Br)c2Br)c(OC)c1 2287189842 RKPJUUZBCRTXGB-GFCCVEGCSA-N 485.035 6.083 50 10 JKGE CC1(C)OCCO[C@H]1[C@@H](Br)c1c(F)cc(Br)c(F)c1Br 2288485726 ZVYHRCSGOHBCOI-JQWIXIFHSA-N 478.953 5.120 50 10 JKGE CCC(F)(F)C(C)(C)[C@@H](Br)c1c(F)cc(Br)c(F)c1Br 2288496953 NJGANOSMOBEIKG-NSHDSACASA-N 484.951 6.997 50 10 JKGE N#CC(C(=O)Nc1ccccc1)=C1S[C@@H](Cc2ccc(Cl)cc2)C(=O)N1c1ccc(Cl)cc1 2293038900 GDZSSTSOMMPSCI-QFIPXVFZSA-N 494.403 6.058 50 10 JKGE COc1cc(C=C(C#N)c2ccccc2)c(Br)cc1OCc1ccc(Cl)cc1 2293420530 KPEYDEWFGNHARV-UHFFFAOYSA-N 454.751 6.754 50 10 JKGE Brc1cc(Br)cc(C[C@@H](Br)[C@@H]2C[C@H]3CCC[C@H](C3)C2)c1 2295331827 OPIMSEPXGDKPCF-CXUUEIJPSA-N 465.067 6.734 50 10 JKGE CC(C)(C)c1ccc(OCCn2cc(C=C(C#N)C(=O)NCc3ccco3)c3ccccc32)cc1 2296806899 DMDWQYHSEZUNTH-UHFFFAOYSA-N 467.569 5.834 50 10 JKGE Cc1ccc(CSC(Nc2ccc(C)c(Cl)c2)=C(C#N)S(=O)(=O)c2ccccc2)cc1 2297350078 TTZGSAMMNTWCIL-UHFFFAOYSA-N 469.031 6.469 50 10 JKGE FC1(F)[C@@H]([C@H](Br)c2cc(Br)ccc2OCc2ccccc2)C12CC2 2299503385 FGJBRSPVYLSCLC-SJORKVTESA-N 458.140 6.509 50 10 JKGE Cc1ccccc1NC(=O)C(C#N)=Cc1cc(Br)ccc1OCc1ccc(Cl)cc1 2313667027 CUNNSEQNEHUJET-UHFFFAOYSA-N 481.777 6.536 50 10 JKGE Cc1cccc(NC(=O)C(C#N)=Cc2cc(Br)ccc2OCc2ccc(F)cc2)c1C 2313667133 GFVUBVTUWZFBCI-UHFFFAOYSA-N 479.349 6.330 50 10 JKGE Cc1cccn2c(=O)c(C=C(C#N)C(=O)NC3CCCCC3)c(Oc3ccc(Cl)cc3Cl)nc12 2314436790 FCQAGVWXTNSWGS-UHFFFAOYSA-N 497.382 5.458 50 10 JKGE Fc1cccc([C@H](Br)c2cc(Br)ccc2OCc2ccccc2)c1Cl 2314449720 SDVUJZYJVUPPKN-IBGZPJMESA-N 484.590 7.305 50 10 JKGE CCc1ccc(Oc2nc3c(C)cccn3c(=O)c2C=C(C#N)C(=O)Nc2cc(C)ccc2C)cc1 2314532278 IOTRVPHOWZRLNR-UHFFFAOYSA-N 478.552 5.520 50 10 JKGE CCc1ccc(C[C@H]2SC(=C(C#N)C(=O)Nc3ccccc3C)N(c3ccc(CC)cc3)C2=O)cc1 2314591895 HBOGRBUMLVOWQZ-HHHXNRCGSA-N 495.648 6.185 50 10 JKGE N#CC(=Cc1cccc(OC(=O)C=Cc2ccc(OCc3ccccc3)cc2)c1)c1ccccc1F 2320510980 HTRGZKOAVJICSF-UHFFFAOYSA-N 475.519 7.088 50 10 JKGE CC[C@@H]1CC[C@H](Br)[C@@H](Cc2ccc(I)c(Br)c2)C1 2325174133 CTTPEYCBEKEEQO-RTXFEEFZSA-N 486.029 6.186 50 10 JKGE COc1ccc(Br)cc1C=C1Oc2c(ccc(OCc3cccc(CCl)c3)c2C)C1=O 2325361370 IQGOAATWWPANRQ-UHFFFAOYSA-N 499.788 6.700 50 10 JKGE CCOC(=O)c1c(-c2ccc(OC)cc2)csc1NC(=O)C(C#N)=Cc1ccc(OC)cc1 2329622190 POVXENGJUWHJKK-UHFFFAOYSA-N 462.527 5.155 50 10 JKGE COc1cc(C=C(C#N)S(=O)(=O)c2ccc(Cl)cc2)cc(OC)c1OCc1ccccc1 2331030575 JRSJIQJRGOSXDW-UHFFFAOYSA-N 469.946 5.275 50 10 JKGE COc1cc(C=C(C#N)c2ccccc2[N+](=O)[O-])ccc1OCC(=O)Nc1ccc(C)cc1C 2331066238 QXKBDYRMCNGGCG-UHFFFAOYSA-N 457.486 5.302 50 10 JKGE COC(=O)c1ccccc1N1C[C@@H](C(O)=C(C#N)c2nc(-c3ccc4c(c3)CCCC4)cs2)CC1=O 2331239793 AICWANMKDNHEAS-FQEVSTJZSA-N 499.592 5.321 50 10 JKGE CC[C@@H](C)[C@H](C(O)=C(C#N)c1nc(-c2ccc(OC)cc2)cs1)N1C(=O)c2ccccc2C1=O 2331276353 LYXHOHJJTPQEKM-IVZQSRNASA-N 473.554 5.322 50 10 JKGE CC[C@H](C)[C@@H](C(O)=C(C#N)c1nc(-c2ccc([N+](=O)[O-])cc2)cs1)N1C(=O)c2ccccc2C1=O 2331281426 VYFGMLCFLCHZDO-QKKBWIMNSA-N 488.525 5.222 50 10 JKGE CCOc1ccc(-c2csc(C(C#N)=C(O)c3cc([N+](=O)[O-])c(C)c([N+](=O)[O-])c3)n2)cc1 2331305855 DGHDDXHRECPEMJ-UHFFFAOYSA-N 452.448 5.284 50 10 JKGE N#CC(=C(O)c1ccc(Cl)cc1[N+](=O)[O-])c1nc(-c2ccc(Cl)c(Cl)c2)cs1 2331311847 DOMZINODYFUBPM-UHFFFAOYSA-N 452.706 6.628 50 10 JKGE CCCCOc1c(Br)cc(C=C(C#N)c2nc(-c3ccc(OC)cc3)cs2)cc1OC 2331431282 KEAXFBNENHYAON-UHFFFAOYSA-N 499.430 6.833 50 10 JKGE CCCOc1c(C=C(C#N)c2nc(-c3cccc(Br)c3)cs2)cccc1OC 2331431921 FDPSGILGSBQVDM-UHFFFAOYSA-N 455.377 6.434 50 10 JKGE COc1cccc([C@H](Br)c2ccc(OCc3ccccc3)cc2Br)c1F 2336051252 QIIXTPIBEOIRCN-HXUWFJFHSA-N 480.171 6.660 50 10 JKGE CC[C@H](c1ccccc1)[C@H](Br)c1ccc(OCc2ccccc2)cc1Br 2336051795 VICPBEHKASXNOJ-OFNKIYASSA-N 474.236 7.658 50 10 JKGE Brc1ccc(OCc2ccccc2)c([C@H](Br)c2cc3c(s2)CCOC3)c1 2336052506 BAONMLGLKAPRRT-NRFANRHFSA-N 494.248 6.647 50 10 JKGE C[C@@H](Br)C12CCC(CC1)N2Cc1ccc(Cl)c(I)c1 2337224765 DEORUABXPXLBAL-CKQAKLJMSA-N 454.577 5.225 50 10 JKGE CCC1CCC(CI)(OCc2cccc(I)c2)CC1 2341624300 VZVXVKQRSQFXDZ-UHFFFAOYSA-N 484.159 5.582 50 10 JKGE COc1cc(C)c(Br)cc1[C@H](Br)c1csc(C)c1Br 2343557600 NLPHNKJGFWNOHV-AWEZNQCLSA-N 469.036 6.383 50 10 JKGE Brc1cc2c(cc1[C@@H](Br)c1cscc1OCc1ccccc1)CCCO2 2343580449 LIPOWZKSWWHXNT-OAQYLSRUSA-N 494.248 6.899 50 10 JKGE CN(Cc1ccc(I)c(Br)c1)C1CCC(CCl)CC1 2349824121 IYROIWIQMBALPO-UHFFFAOYSA-N 456.593 5.283 50 10 JKGE C[C@H](CCl)[C@@H]1CCCCN1Cc1ccc(I)c(Br)c1 2349831002 RLYAYRXIJOQTEP-ABAIWWIYSA-N 456.593 5.283 50 10 JKGE Fc1ccc(Br)cc1[C@H](Cl)c1c(F)cc(Cl)c(Br)c1Cl 2360403211 XJAIPKPVBMKAPC-LBPRGKRZSA-N 465.346 7.125 50 10 JKGE Brc1ccc(OCc2ccccc2)c([C@H](Br)C2C3CC4CC(C3)CC2C4)c1 2361203420 FXSROKCNTRMUSX-LOSMYYBPSA-N 490.279 7.536 50 10 JKGE COc1c(Br)cc(C)c([C@H](Br)[C@H]2C[C@H]2C2CCC2)c1Br 2365219996 TTXNJOIWBLJZPF-COPLHBTASA-N 467.039 6.401 50 10 JKGE Cc1ccccc1[C@H](CBr)OCc1ccc(Cl)cc1I 2365645164 LNEVIXOMIQOGJN-INIZCTEOSA-N 465.556 5.906 50 10 JKGE Cc1c(Br)ccc([C@@H](Cl)c2c(Cl)cc(F)cc2Cl)c1Br 2366404846 INKQLMDKIXWFMR-CQSZACIVSA-N 461.383 7.294 50 10 JKGE Cc1c(Cl)cccc1NC(=O)c1ccc(OCC(=O)N/N=C/c2ccc(Cl)c(Cl)c2)cc1 1916272 JFSYOCFUFZAGEY-KKMKTNMSSA-N 490.774 5.737 50 10 JKGE CC(C)(C)c1ccc(C(=O)CCCSC2=C(C#N)[C@@H](c3ccco3)C3=C(CCCC3=O)N2)cc1 4695316 WWWXSWUZAZYIIZ-VWLOTQADSA-N 474.626 6.402 50 10 JKGE CCC[C@H](C)c1ccc(OCC(=O)N/N=C/c2cn(-c3ccccc3)nc2-c2ccc(C)cc2)cc1 20581794 SPSOUIFCPRULLF-LZHTXPGSSA-N 480.612 6.280 50 10 JKGE COc1cc(/C=C(/C#N)c2ccc(Cl)cc2)ccc1OC(=O)C(c1ccccc1)c1ccccc1 31902136 YGDOBQHFONCHDN-BWAHOGKJSA-N 479.963 7.150 50 10 JKGE N#C/C(=C/c1ccc2noc(-c3ccccc3)c2c1)C(=O)Nc1sc2c(c1C#N)CCCC2 35518756 OEAWBCFMDFQVHP-PDGQHHTCSA-N 450.523 5.852 50 10 JKGE O=C(N/N=C/c1ccc(-c2cccc(C(F)(F)F)c2)o1)[C@@H]1COc2cc3ccccc3cc2O1 36046481 CGNGUCFRMGZOHA-OMHXNGIESA-N 466.415 5.409 50 10 JKGE COc1ccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4ccc(C(C)(C)C)cc4)ccc32)cc1 38650267 IBNMAGWDYCZQTG-RUZDIDTESA-N 454.526 5.430 50 10 JKGE Cc1c(C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@@H]3c2cccc3ccccc23)oc2ccccc12 38688541 XOUNCGFFTUECGV-HHHXNRCGSA-N 472.500 6.332 50 10 JKGE CCCCOc1ccc(-c2nn(-c3ccccc3)cc2/C=C(\C#N)c2nc3ccccc3s2)c(C)c1 39983123 PONAOCIMROIFRV-RELWKKBWSA-N 490.632 7.701 50 10 JKGE Cc1c(C(=O)NN(c2ccccc2)c2ccccc2)oc2c1/C(=N/NC(=O)c1ccccc1O)CCC2 40826449 VPWJGEGCRWTQDI-JJKYIXSRSA-N 494.551 5.247 50 10 JKGE CCCCNC(=O)/C(C#N)=C/c1ccc(OC(=O)/C(=C/c2ccccc2)c2ccccc2)cc1 40970837 LFOYVVQNSYDWOB-KYJVTZRNSA-N 450.538 5.656 50 10 JKGE O=C(CC[C@H](O)c1ccccc1)N/N=C/c1ccc(Oc2ccc(C(F)(F)F)cc2[N+](=O)[O-])cc1 58888087 DRSINBZMZIGUQL-MMOHFDRGSA-N 487.434 5.370 50 10 JKGE C=CCc1cc(/C=N\NC(=O)CC[C@H](O)c2ccc(OCC)cc2)ccc1OCc1cccc(C)c1 58895111 ROSRJEMACWMTLT-LEWMOKLLSA-N 486.612 5.665 50 10 JKGE Cc1cccc(COc2ccc(Br)cc2/C=C(/C#N)C(=O)Nc2cc(C)ccc2C)c1 59201290 CYBSOAKKNNWONR-XKZIYDEJSA-N 475.386 6.499 50 10 JKGE CCOc1cc(/C=N/NC(=O)c2cc3ccccc3o2)ccc1OCc1cccc([N+](=O)[O-])c1 59305511 QZLOLIADCJMAPL-CVKSISIWSA-N 459.458 5.083 50 10 JKGE COc1cc(/C=N/NC(=O)C(c2ccccc2)c2ccccc2)ccc1OCc1ccccc1 59410673 DDHKMHKOVYTSOW-TWKHWXDSSA-N 450.538 5.556 50 10 JKGE O=C(CCCNc1ccccc1)N/N=C/c1ccccc1OCc1ccc(Br)cc1 59507836 UQLUYTXQCMPQLQ-WPWMEQJKSA-N 466.379 5.371 50 10 JKGE N#C/C(=C/c1ccc(-c2ccc(Br)cc2)o1)C(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1 103485447 VMBIWVZUPQRQCM-LCYFTJDESA-N 472.682 5.816 50 10 JKGE C[C@@H]1CCc2c(sc3ncnc(SCC(=O)/C(C#N)=C4/Nc5ccccc5S4)c23)C1 103908314 BYXYQKIGOWMSSL-KMCFQHSYSA-N 450.614 5.430 50 10 JKGE N#C/C(=C/Nc1cc(C(F)(F)F)cc(C(F)(F)F)c1)C(=O)Nc1ccc(F)c(Cl)c1 110274787 MIMCVDWBULCEFY-HJWRWDBZSA-N 451.729 5.975 50 10 JKGE ClCCc1nc2ccc(Br)cc2n1-c1ccccc1I 115769914 YJOUMLUZVJLYKG-UHFFFAOYSA-N 461.528 5.174 50 10 JKGE COc1cc(Br)c([C@@H](Br)c2ccc(Br)c(C)c2)cc1OC 137899463 GOZSTOSUXCLKTN-INIZCTEOSA-N 479.006 6.022 50 10 JKGE CCOC(=O)c1c(NC(=O)/C(C#N)=C\c2ccc(C(C)(C)C)cc2)sc2c1CC[C@H](C)C2 209406218 KQRRJQSNCWJCGZ-IYWFSZBXSA-N 450.604 5.893 50 10 JKGE CCCCCOc1ccc(/C=C2\C(=O)N([C@@H](C)c3ccccc3)C(=O)C(C#N)=C2C)cc1OCC 214342897 AUGUAKZUETXBMP-HLJDWQABSA-N 472.585 6.008 50 10 JKGE Fc1cc(F)c([C@H](Br)c2ccc(I)c(Cl)c2)c(F)c1 232342891 ZEZOXDNUSQCDSI-CYBMUJFWSA-N 461.446 5.846 50 10 JKGE CCN(CC)c1ccc(C=NNC(=O)c2ccc(Nc3nc(-c4ccccc4)cs3)cc2)c(O)c1 253681594 AZSYGUXQBOAJKN-UHFFFAOYSA-N 485.613 5.869 50 10 JKGE CCOc1ccc(C=NNC(=O)c2ccc(COc3ccccc3-c3ccccc3)cc2)cc1OC 254403932 SMXALXYISKABDN-UHFFFAOYSA-N 480.564 6.104 50 10 JKGE CC(=NNC(=O)c1sc2ccccc2c1Cl)c1ccc(NC(=O)c2cccs2)cc1 254458124 PWAPEBGXMXPKGV-UHFFFAOYSA-N 453.976 6.023 50 10 JKGE CC(C)(C)CC(C)(C)c1ccc(OCC(=O)NN=C/C(Br)=C/c2ccccc2)cc1 254634614 WMHXTZRGNNSUPG-GGWIWSIYSA-N 471.439 6.317 50 10 JKGE COc1ccc(C=NNC(=O)c2ccc(Cl)cc2O)cc1CSc1nc(C)cc(C(F)F)n1 254753328 YZENKXASWNMOIO-UHFFFAOYSA-N 492.935 5.146 50 10 JKGE O=C(Oc1ccc(C=NNC(=O)[C@@H]2CC2(c2ccccc2)c2ccccc2)cc1)c1ccccc1 254790099 DTCOOFSXJIRQMM-MHZLTWQESA-N 460.533 5.362 50 10 JKGE CCC(=NNC(=O)c1ccccc1OCc1ccc(F)cc1)c1cc(Cl)cc(Cl)c1O 254791119 PTQOYJIFDQMYFO-UHFFFAOYSA-N 461.320 5.961 50 10 JKGE CC(C)(C#N)CCCCOc1c(Br)cc(Br)cc1CBr 312481972 NUOCLOUUHWFPSV-UHFFFAOYSA-N 468.027 6.205 50 10 JKGE Fc1ccc(Br)c(F)c1COc1cccc(CBr)c1Br 315703212 KUTMKXXZEIUOJP-UHFFFAOYSA-N 470.933 5.964 50 10 JKGE Fc1cccc([C@H](Br)c2scc(C(F)(F)F)c2Br)c1Cl 380131660 NKDFGSXEJCKCPF-QMMMGPOBSA-N 452.492 6.806 50 10 JKGE Cc1cccc(C)c1COc1c(Br)cc(Br)cc1CBr 380141603 VMZAYHGJQREXKR-UHFFFAOYSA-N 463.007 6.302 50 10 JKGE CC[C@@H](COc1c(Br)cc(Br)cc1CBr)CC(F)(F)F 402533125 WJRRQLWABBRORG-MRVPVSSYSA-N 482.960 6.464 50 10 JKGE C[C@H](CC(F)(F)F)CC(CBr)(CBr)c1cccc(Br)c1 402877045 CKQKHDWAYNZTOC-JTQLQIEISA-N 480.988 6.455 50 10 JKGE Fc1c(Br)ccc(C[C@@H](CBr)c2ccccc2Br)c1F 700999479 AAVAYCJLENGLRJ-JTQLQIEISA-N 468.961 6.211 50 10 JKGE O=C1NCCc2ccc([C@@H](Br)c3scc(Br)c3Br)cc21 705452309 BDQITQLHWLBTHY-LLVKDONJSA-N 480.019 5.043 50 10 JKGE CC(C)(C)c1ccc([C@H](Cl)c2ccc(I)c(Br)c2)cc1 721571191 DALNDQBHPRJILC-INIZCTEOSA-N 463.584 6.679 50 10 JKGE O=C(NN=Cc1ccc(OCc2ccc(Cl)cc2)cc1)c1ccc(CSc2ccccc2)cc1 1084018140 MMGXXAJAIQDVPF-UHFFFAOYSA-N 487.024 6.975 50 10 JKGE Nc1cc(C(F)(F)F)ccc1[C@@H]1CN(C(=O)OCc2ccccc2)C[C@H]1CBr 1614644174 ZSNYCPSWCMEHCE-RHSMWYFYSA-N 457.290 5.035 50 10 JKGE CCCCc1ccc(NC(=O)c2oc3c(c2C)C(=NNC(=O)c2ccccc2OC)CCC3)cc1 1772745733 FXBQYORIEWTZFX-UHFFFAOYSA-N 473.573 5.662 50 10 JKGE N#CC1=C(N)Oc2c(c(-c3ccccc3)nn2-c2cccc3ccccc23)[C@H]1c1cccc(O)c1 1865681715 ULZJNTBMMJRGLD-VWLOTQADSA-N 456.505 5.616 50 10 JKGE N#CC1=C(N)Oc2c(c(-c3ccccc3)nn2Cc2ccc(Cl)c(Cl)c2)[C@@H]1c1ccccc1F 1865682936 BIEPLILDZGVUEA-JOCHJYFZSA-N 491.353 6.262 50 10 JKGE N#CC1=C(N)Oc2c(c(-c3ccccc3)nn2-c2ccccc2Cl)[C@@H]1c1ccc(Cl)cc1 1865683153 HAYJPEHRMJIXRU-OAQYLSRUSA-N 459.336 6.064 50 10 JKGE Cc1ccc(O)c([C@H]2C(C#N)=C(N)Oc3c2c(C(F)(F)F)nn3-c2cccc3ccccc23)c1 1865687588 VMZYMXLJANSSCA-FQEVSTJZSA-N 462.431 5.277 50 10 JKGE CCN(Cc1ccccc1)c1ccc([C@H]2C(C#N)=C(N)Oc3c2c(C)nn3-c2ccccc2Cl)cc1 1865707081 NIKIOVDTYCCGTF-MHZLTWQESA-N 496.014 6.079 50 10 JKGE COc1cccc([C@H]2C(C#N)=C(N)Oc3c2c(-c2ccccc2)nn3-c2ccc(Cl)cc2)c1 1865712391 XFMRMNOKKIADJO-QFIPXVFZSA-N 454.917 5.419 50 10 JKGE Cc1nc(-c2ccc(Cl)cc2)ccc1C(=O)NNC(=O)/C=C/c1cccc(OCc2ccccc2)c1 1865755529 CQOYAVFEBDPEET-LICLKQGHSA-N 497.982 5.764 50 10 JKGE CCCC[C@@H](NC(=O)[C@@H](Cc1ccccn1)c1ccccc1)C(=O)Nc1ccc(SC#N)cc1 1866695713 KEYCZJFPSGEPMS-LOSJGSFVSA-N 472.614 5.295 50 10 JKGE Cc1nc(Nc2ccc(SC#N)cc2)cc(N2CCC(Oc3cccc(Cl)c3)CC2)n1 1868481091 ZILZLPXZEQTJBP-UHFFFAOYSA-N 451.983 5.803 50 10 JKGE N#CSc1ccc(Nc2cc(N3CCC[C@H]3C(=O)NC3CCCCC3)nc(-c3cccnc3)n2)cc1 1868565100 HWSKEUXNWGZZEJ-QHCPKHFHSA-N 499.644 5.273 50 10 JKGE N#C/C(=C(O)\C(=C/c1ccccc1)c1ccccc1)c1nc(-c2ccc([N+](=O)[O-])cc2)cs1 1872747123 OFGPXKGDIRDLGG-FVYVNUNNSA-N 451.507 6.752 50 10 JKGE Cc1ccc(C(C)(C)C)cc1-c1csc(/C(C#N)=C(\O)CNC(=O)c2ccc(Cl)cc2)n1 1872755882 KOPKISOMFHQPCT-XDOYNYLZSA-N 466.006 6.292 50 10 JKGE CC(C)CN1C(=O)c2ccc(/C(O)=C(\C#N)c3nc(-c4ccc(Cl)s4)cs3)cc2C1=O 1872757766 VOISPMYAAZORKO-CYVLTUHYSA-N 469.975 5.727 50 10 JKGE CCCCCOc1ccc(/C=C(\C#N)c2nc(-c3ccc(OC)c(Cl)c3)cs2)cc1OCC 1872794712 RKGTYURVTJATDU-DEDYPNTBSA-N 483.033 7.504 50 10 JKGE CN(Cc1ccccc1)C(C)(C)Cn1c(CCCl)nc2c(Br)cc(F)cc21 1912678253 RJJZUMWUQYMGAP-UHFFFAOYSA-N 452.799 5.630 50 10 JKGE Clc1c(Br)sc(Br)c1[C@H](Br)[C@@]12CCCC[C@@H]1CCC2 1923067463 CUXPDTZGEPKXAX-FDLBOYPASA-N 491.514 7.723 50 10 JKGE CC[C@@H]1OCC[C@@H]1[C@@H](Br)c1c(Br)sc(Br)c1Cl 1923071584 JWPPVCRJWIGGFY-VMHSAVOQSA-N 467.448 6.178 50 10 JKGE Cc1ccsc1[C@H](Br)c1c(Br)sc(Br)c1Cl 1923072391 OSRAKVKNBHYNSN-ZCFIWIBFSA-N 465.457 6.781 50 10 JKGE FC(F)(F)C(F)(F)C[C@@H](Br)c1c(Cl)sc(Br)c1Cl 1925561605 QAKANZKHXBWINA-UWTATZPHSA-N 456.883 6.841 50 10 JKGE CC1(C)CC[C@H](Br)[C@H](CNC(=O)c2cc(Br)sc2Br)C1 1927049843 JQNDZHWUPFBONH-WPRPVWTQSA-N 488.083 5.593 50 10 JKGE CN(CCN(Cc1ccccc1)c1c(Cl)cccc1CBr)Cc1ccccc1 1931965464 NHOAQHORHIGOQS-UHFFFAOYSA-N 457.843 6.374 50 10 JKGE Brc1csnc1[C@@H](Br)c1cc(C2CC2)c(Br)s1 1945813163 ZRUDXSMMXUOPLC-VIFPVBQESA-N 458.038 6.091 50 10 JKGE Brc1sc(Br)c([C@H](Br)C[C@@H]2CC23CC3)c1Br 1995403070 NLRUSURCTCKWPJ-PHDIDXHHSA-N 493.884 6.662 50 10 JKGE Clc1ccc(I)cc1-n1c(Cl)nc(Cl)c1CBr 2006648821 ZARNWCRJKJPLJX-UHFFFAOYSA-N 466.331 5.332 50 10 JKGE Cl[C@@H](c1ccc(Br)cc1Br)c1ccccc1OCc1ccccc1 2024294625 MTWUDKHYLIQNCY-FQEVSTJZSA-N 466.600 7.119 50 10 JKGE Brc1cc([C@@H](Br)c2sccc2I)cc2c1OCC2 2030021649 ODRDOAZGDIULBO-LLVKDONJSA-N 499.993 5.534 50 10 JKGE Fc1ccc(I)cc1[C@H](Br)c1cc(Cl)ccc1Cl 2050463123 IIRQPDOIVMASEQ-CYBMUJFWSA-N 459.911 6.221 50 10 JKGE Clc1c(Br)sc(Br)c1[C@H](Br)[C@@H]1C[C@@H]2CC[C@H](C1)O2 2061009330 VTFLXSMSPZADIL-JVZYCSMKSA-N 479.459 6.320 50 10 JKGE Cl[C@@H](c1c(Br)sc(Br)c1Br)[C@H]1C[C@@H]2CCC[C@@H]2C1 2063506767 BLAXPQVKJWVJEX-FBSDJGSXSA-N 477.487 7.142 50 10 JKGE Cc1ccc([C@@H](Br)c2c(Br)sc(C)c2C)cc1Br 2082883231 DQGQNMKIVANBFM-CYBMUJFWSA-N 453.037 6.683 50 10 JKGE BrC[C@]1(Cc2c(Br)cccc2Br)CCO[C@H]1C1CC1 2094095340 LDYCVDLVQDAWOX-LSDHHAIUSA-N 453.012 5.334 50 10 JKGE Cc1c(Br)sc([C@@H](Br)[C@@H]2CC3(CCCC3)CO2)c1Br 2109981494 XCJCUJSCDQLLEF-ONGXEEELSA-N 473.068 6.367 50 10 JKGE Brc1cc([C@H](Br)Cc2ccc3c(c2)CCO3)c(Br)s1 2112342666 QNBRUDOMDSOPMQ-LLVKDONJSA-N 467.020 5.887 50 10 JKGE CCc1nc([C@H](Br)c2cc(Cl)c(Br)cc2F)c(Br)s1 2113183635 UUNYTJMZOSSYQY-SNVBAGLBSA-N 492.433 6.507 50 10 JKGE Cl[C@@H](CCc1cc(Br)ccc1Br)c1ccccc1Br 2118532874 UIYPWYXPNIATST-HNNXBMFYSA-N 467.426 6.887 50 10 JKGE CC1(C)CC12CC(CBr)(Cc1cc(Cl)ccc1I)C2 2127506939 CRPZSJXAIXPGLI-UHFFFAOYSA-N 453.589 6.079 50 10 JKGE C[C@H](c1nscc1Br)N(C)c1cc(Br)ccc1CBr 2130035244 YIUUYRRDIQJHAH-MRVPVSSYSA-N 469.040 5.760 50 10 JKGE Cc1cc(Br)c(C)c([C@H](Br)C[C@H]2CO[C@@H](C)C2)c1Br 2136369213 BZEQAJNGYVPVEX-XHVZSJERSA-N 455.028 6.080 50 10 JKGE CCN(C[C@](C)(CI)O[C@@H]1CCC[C@@H]2CCCC[C@@H]21)C(=O)OC(C)(C)C 2136423306 LZUHBLCFRFMAPN-UGNRZPKXSA-N 479.443 5.813 50 10 JKGE Cc1cc(Cl)c(Br)cc1[C@@H](Br)c1ccc(Br)c(Cl)c1 2137642916 NANYWVULXVNODM-AWEZNQCLSA-N 487.844 7.311 50 10 JKGE Cc1c(Br)ccc([C@@H](Cl)c2cccc(Br)c2F)c1Br 2138867616 XTXWXPQTSYMBAK-CYBMUJFWSA-N 471.389 6.750 50 10 JKGE Brc1csc([C@@H](Br)c2ccc(-c3cccs3)s2)c1Br 2140966801 FXGOEGLKVLFGMG-LBPRGKRZSA-N 499.112 7.547 50 10 JKGE CN(CCN(Cc1ccccc1)C(=O)c1cccc(-c2nc(CCl)cs2)c1)Cc1ccccc1 2152214530 GJWHKCZQZDXGLY-UHFFFAOYSA-N 490.072 6.323 50 10 JKGE ClCc1nc2cc(I)ccc2n1[C@@H]1CN(Cc2ccccc2)C2(CCC2)C1 2155368755 BEJYJPVQYJEZEG-SFHVURJKSA-N 491.804 5.749 50 10 JKGE C[C@@H]1Cc2cc(Br)cc([C@H](Br)c3cc(Cl)c(Cl)s3)c2O1 2156056621 YNLXFBJNUKNRFU-INWYIAFRSA-N 457.014 6.625 50 10 JKGE FC1(F)CN(Cc2ccccc2)CCCCN(c2ncc(CCl)cc2Br)C1 2164876842 MMBUGEPNLUVHMF-UHFFFAOYSA-N 458.778 5.321 50 10 JKGE BrCc1cc(Br)c(OC[C@@H]2CC23CCCCC3)c(Br)c1 2165703682 XGCAOJRDOJCZCW-LBPRGKRZSA-N 467.039 6.456 50 10 JKGE C[C@H](c1nscc1Br)N(C)c1c(CCl)ccc(Br)c1Cl 2186577189 AVUCBTHRKNAFBF-SSDOTTSWSA-N 459.034 6.258 50 10 JKGE CC(C)(C)OC(=O)N1CC[S@](=O)(=NCCCCCCCCCBr)C(C)(C)C1 2189325379 QLXWITJKCLVUDT-HHHXNRCGSA-N 467.514 5.609 50 10 JKGE Cc1cc(Br)c(C)c([C@@H](Br)C[C@@H]2CCCC2(F)F)c1Br 2201065724 SXVDHHQYRQVZHL-JQWIXIFHSA-N 475.009 7.090 50 10 JKGE Cc1cc(Br)c(C)c([C@H](Br)C2CC(C3CCC3)C2)c1Br 2201079126 QUAQNENDXJJIHL-QWQCLYJRSA-N 465.067 7.091 50 10 JKGE COc1ccc([C@@H](Cl)c2cc(Cl)ccc2I)c(Cl)c1Cl 2203447036 FAWNDGGZYWIAGN-GFCCVEGCSA-N 461.941 6.588 50 10 JKGE COc1c(C)cc(Br)cc1[C@@H](Cl)c1c(Br)cccc1Br 2206597541 DYQUTIQWUPVAFQ-CQSZACIVSA-N 483.425 6.619 50 10 JKGE COCCc1ccc([C@@H](Cl)c2ccc(Br)cc2I)cc1 2207273421 UWAVDQIXTAWPSL-MRXNPFEDSA-N 465.556 5.571 50 10 JKGE COc1ccc(OCc2ccc(I)c(Cl)c2)c(CBr)c1 2208038436 DMMIFTCAXPCZCV-UHFFFAOYSA-N 467.528 5.427 50 10 JKGE Clc1cc(Cl)cc(C[C@H](Br)c2ccc(I)cc2)c1 2223998997 SXKAGTRSNJCVDT-AWEZNQCLSA-N 455.948 6.277 50 10 JKGE Cc1cc(Br)c([C@H](Br)[C@@]23CCCC[C@@H]2C3)c(C)c1Br 2227360146 PGZRKUFZJKQXRI-XFBWCDHKSA-N 451.040 6.845 50 10 JKGE Fc1cc(F)c([C@@H](Br)c2cc(Cl)cc(Br)c2)c(F)c1Br 2236108891 LHMIGNLTLUZNRL-NSHDSACASA-N 493.342 6.767 50 10 JKGE Cc1sc([C@H](Br)c2cc(I)cc3c2OCC3)c(C)c1C 2236837379 IWLRXVLBSRJDJQ-CQSZACIVSA-N 463.178 5.697 50 10 JKGE CC[C@@H](Br)CN(Cc1ccccc1)C(=O)c1c(F)cccc1I 2243447204 URJLYGXWBANECN-CQSZACIVSA-N 490.154 5.246 50 10 JKGE CN(C[C@@H](Br)COCc1ccccc1)C(=O)c1cccc(Cl)c1Br 2248082421 CZPSTIZHTQVXNW-CQSZACIVSA-N 475.608 5.155 50 10 JKGE COc1ccc([C@@H](Br)c2scc(Br)c2Br)c(OC)c1 2271512186 QMNFIACTYHPQSK-LLVKDONJSA-N 471.008 5.775 50 10 JKGE COc1c([C@@H](Br)c2cc(Br)c(C)s2)cc(Br)c(C)c1C 2284585197 CSYHHDRIFLEMQT-CQSZACIVSA-N 483.063 6.691 50 10 JKGE Cc1cc(Br)c(C)c([C@@H](Br)C2CC3(CC(C)C3)C2)c1Br 2287685306 FVUJZMZQDCUCNQ-SRKWDSJWSA-N 465.067 7.091 50 10 JKGE CC[C@H](CC(F)(F)F)[C@H](Br)c1c(F)cc(Br)c(F)c1Br 2288346959 OEYPJWIOKWBKJT-ANLVUFKYSA-N 488.914 6.904 50 10 JKGE N#CC(=Cc1cn(-c2ccccc2)nc1-c1ccc2c(c1)OCCO2)c1nc2ccccc2s1 2296715275 CKWQFAOHJUEEDM-UHFFFAOYSA-N 462.534 5.984 50 10 JKGE C[C@H](C[C@@H](Br)c1ccc(OCc2ccccc2)cc1Br)C(F)(F)F 2299505190 UQTUDOLZAAUCSQ-MLGOLLRUSA-N 466.135 7.053 50 10 JKGE Fc1cc(Br)c(Cl)cc1[C@@H](Br)c1cnsc1Br 2300291173 UCBJCGUHUAYMAN-SECBINFHSA-N 464.379 5.945 50 10 JKGE Cc1nc(Br)c([C@@H](Cl)c2sc(Br)cc2Br)n1C 2300293576 SMCTUSQILZAXKV-SSDOTTSWSA-N 463.420 5.406 50 10 JKGE COC1([C@H](Br)c2sc(Cl)cc2I)CC(CF)C1 2301084381 SCTNJENIAGDTPC-SIDNPXFCSA-N 453.542 5.207 50 10 JKGE C=CCOc1c(I)cc(C=C(C#N)C(=O)Nc2ccc(C)c(C)c2)cc1OC 2313511072 MHQAZVASKIWDFZ-UHFFFAOYSA-N 488.325 5.027 50 10 JKGE N#CC(=Cc1cc(Cl)ccc1OCc1cccc(Cl)c1)C(=O)Nc1cccc(Cl)c1 2313631444 QDJIJPSAFGTTRI-UHFFFAOYSA-N 457.744 6.771 50 10 JKGE CCOc1cc(C=C(C#N)C(=O)Nc2ccc(CC)cc2)ccc1OCc1c(Cl)cccc1Cl 2313681263 YZGSYEUMDULMGR-UHFFFAOYSA-N 495.406 7.079 50 10 JKGE N#CC(=Cc1cn(Cc2ccccc2)c2ccccc12)C(=O)Nc1cc([N+](=O)[O-])ccc1Cl 2313724596 MJKFPTLTCYUSQB-UHFFFAOYSA-N 456.889 5.797 50 10 JKGE FC12CCC([C@@H](Br)c3ccc(OCc4ccccc4)cc3Br)(CC1)C2 2314440445 PPHIXRWXGNZHQD-MWXLCCTBSA-N 468.204 7.137 50 10 JKGE Cc1cc(Cl)cc([C@H](Br)c2ccc(OCc3ccccc3)cc2Br)c1 2314450341 YFXFOJCHMODUTB-NRFANRHFSA-N 480.627 7.474 50 10 JKGE COc1cccc(-c2nn(-c3ccccc3)cc2C=C(C#N)S(=O)(=O)c2ccc(Cl)cc2)c1 2314475709 AXLDQBFSPXVTPP-UHFFFAOYSA-N 475.957 5.540 50 10 JKGE Cc1ccc(C[C@@H]2SC(=C(C#N)C(=O)Nc3ccccc3)N(c3ccc(C)c(C)c3)C2=O)cc1 2314591849 GCNPJLIWKCLXBE-VWLOTQADSA-N 467.594 5.677 50 10 JKGE CCOc1ccc(N2C(=O)[C@@H](Cc3ccccc3)SC2=C(C#N)C(=O)N[C@H](C)c2ccccc2)cc1 2314593648 QLESHEFLPOKSLV-FQRUVTKNSA-N 497.620 5.389 50 10 JKGE CCCCCOc1ccc(C=C2C(=O)N(C3CCCCC3)C(=O)C(C#N)=C2C)cc1OCC 2314616836 KUTRHXQLZLRFIP-UHFFFAOYSA-N 450.579 5.579 50 10 JKGE Clc1cc(Br)c([C@@H](Cl)c2cnsc2Br)c(Cl)c1Cl 2315639800 CJHLTGWDTSIIAH-ZETCQYMHSA-N 470.828 6.957 50 10 JKGE CC(C)(C)OC(=O)N1CCC[C@](CI)(OCC[C@H]2CC[C@@H]2C2CC2)C1 2319609068 LWXGBVKDTVNFSH-MBOZVWFJSA-N 463.400 5.034 50 10 JKGE Cc1ccc(CBr)c(OCc2csc(Br)c2)c1Br 2327547183 LMZRXSHNYTZIPC-UHFFFAOYSA-N 455.009 6.055 50 10 JKGE N#CC(=C(O)c1ccccc1I)c1nc(-c2cccc([N+](=O)[O-])c2)cs1 2331236633 OQQFUSPCBVNJPZ-UHFFFAOYSA-N 475.267 5.273 50 10 JKGE N#CC(=C(O)c1cc([N+](=O)[O-])ccc1Cl)c1nc(-c2ccc(Cl)cc2Cl)cs1 2331254540 YWHVJAWKSYVGFZ-UHFFFAOYSA-N 452.706 6.628 50 10 JKGE CCc1cccc(C)c1N1C[C@@H](C(O)=C(C#N)c2nc(-c3ccc(Cl)c(Cl)c3)cs2)CC1=O 2331311630 HEMSXBIVLSVCAD-KRWDZBQOSA-N 498.435 6.834 50 10 JKGE CC[C@@H](C)[C@H](C(O)=C(C#N)c1nc(-c2cc(C)ccc2OC)cs1)N1C(=O)c2ccccc2C1=O 2331324374 QOMFFHUYPHXZEX-WAIKUNEKSA-N 487.581 5.631 50 10 JKGE CC(C)(C)c1ccc(-c2csc(C(C#N)=C(O)CN3C(=O)c4ccc([N+](=O)[O-])cc4C3=O)n2)cc1 2331332706 AAIYPHRLGAQWSQ-UHFFFAOYSA-N 488.525 5.105 50 10 JKGE N#CC(=C(O)C=Cc1ccc2c(c1)OCCO2)c1nc(-c2cc(Cl)ccc2Cl)cs1 2331403825 HSDGXFZPNSKTLM-UHFFFAOYSA-N 457.338 6.394 50 10 JKGE COc1ccccc1-c1csc(C(C#N)=Cc2ccc(OCc3ccccc3Cl)cc2)n1 2331436356 UBLMORKKVUOIIJ-UHFFFAOYSA-N 458.970 7.115 50 10 JKGE COc1cc(C=C(C#N)c2nc(C(C)(C)C)cs2)ccc1OC(=O)c1ccc(Cl)cc1Cl 2331443380 HTVXDJUUAAVJKR-UHFFFAOYSA-N 487.408 7.039 50 10 JKGE Brc1ccc(OCc2ccccc2)c([C@@H](Br)[C@H]2CCCCC23CCC3)c1 2336054498 SHCZYWJQEQRKJL-IFMALSPDSA-N 478.268 7.825 50 10 JKGE COc1ccc([C@@H](Br)c2c(Cl)cc(Br)c(F)c2Br)s1 2337084423 LHSHTEAAEYIKNI-SNVBAGLBSA-N 493.417 6.559 50 10 JKGE Fc1c(Br)cc(Cl)c([C@@H](Br)[C@H]2CCC23CCC3)c1Br 2337095006 VMWAZYUYBFHGTH-HQJQHLMTSA-N 475.421 7.020 50 10 JKGE COc1c(Br)cc(C)c([C@H](Br)c2cscc2F)c1Br 2339657016 SYBYWDQNUAEBQL-LLVKDONJSA-N 472.999 6.214 50 10 JKGE Clc1ccc(I)cc1C[C@H]1CCCCCCC[C@@H]1Br 2352426662 APAPUTWSBFSUHS-DOMZBBRYSA-N 455.605 6.611 50 10 JKGE Fc1c(Br)cc(Cl)c([C@H](Cl)C2(CC(F)F)CCC2)c1Br 2362229380 SONVNYFBBDURLC-LBPRGKRZSA-N 454.939 7.110 50 10 JKGE CCCC[C@@H](C)CC[C@@H](Br)c1c(Cl)cc(Br)c(F)c1Br 2362232124 KAUDVUHPAZFECG-NXEZZACHSA-N 493.480 8.047 50 10 JKGE C[C@H](Br)CN(CCC(C)(C)C)Cc1ccc(Cl)c(I)c1 2362375859 NYLMROSJWKZKED-LBPRGKRZSA-N 472.636 5.966 50 10 JKGE CC12CC(C1)[C@H]([C@@H](Br)c1c(F)cc(Br)c(F)c1Br)CO2 2362892154 FQHXWZWMGVYKHA-FDMZJPOOSA-N 474.965 5.741 50 10 JKGE C[C@@H]1CCCC[C@]12[C@@H](Cl)C[C@H]2Oc1cc(Br)cc(I)c1 2364108607 ZCLMQNBMDQEPPP-CXOGBFNASA-N 469.588 6.009 50 10 JKGE COc1c(Br)cc(C)c([C@@H](Br)[C@]2(C)CCCCO2)c1Br 2365194689 UGPAPGRGKPHTSR-CABCVRRESA-N 471.027 5.924 50 10 JKGE O=C(Nc1ccc(CBr)c(F)c1)c1ccc(Cl)c(I)c1 2367668091 BYBQGYMRHSWYLM-UHFFFAOYSA-N 468.491 5.231 50 10 JKGE Cc1cc(Br)c(F)c(Br)c1[C@H](Br)C[C@H]1CC[C@@H]1C1CC1 2368175740 AMFLUTAYVOJZLH-IJLUTSLNSA-N 469.030 6.921 50 10 JKGE CC(C)(C)[C@@H]1CC[C@@H]1CO[C@@H](CI)c1cccc(Br)c1 2369175030 FZSBTXRPJPWCID-BMFZPTHFSA-N 451.186 6.014 50 10 JKGE O=C(N[C@@H](CCBr)COCc1ccccc1)c1c(Cl)cccc1C(F)(F)F 2369432333 CDXGRXNWDCGBLR-AWEZNQCLSA-N 464.709 5.459 50 10 JKGE FC(F)(F)[C@H]1[C@H](Cl)CCCN1Cc1ccc(I)c(Br)c1 2377351079 ALLXQSZTUHDZCS-ZYHUDNBSSA-N 482.509 5.188 50 10 JKGE Cc1cccc(C[C@@H]2S/C(=C(/C#N)C(=O)Nc3ccc(F)cc3)N(c3ccc(Cl)cc3)C2=O)c1 2410079 BPSCNQMYGTTWJJ-YDYXIROLSA-N 491.975 5.853 50 10 JKGE CCN(CC)CCOC(=O)c1ccc(N/C=C(\C#N)c2nc(-c3cccc(OC)c3)cs2)cc1 9638668 LBXCXLPDTRAQTL-HEHNFIMWSA-N 476.602 5.294 50 10 JKGE O=C(NN=Cc1ccc(OCc2ccccc2)cc1OCc1ccccc1)c1ccc(Cl)cc1 12376526 PTGQUZIABRLUCK-UHFFFAOYSA-N 470.956 6.262 50 10 JKGE Cc1ccc(C(=O)NNC(=O)N2c3ccccc3Sc3ccccc32)cc1Br 13988903 DNDZYPOXSNAMCR-UHFFFAOYSA-N 454.349 5.415 50 10 JKGE COc1cc(/C=C(/C#N)c2ccccc2F)ccc1OC(=O)c1ccc(Br)cc1 31901718 RMENITQWNOQVLC-ATVHPVEESA-N 452.279 5.880 50 10 JKGE N#C/C(=C\c1ccc(N2N=C(c3ccccc3)C[C@H]2c2ccccc2)cc1)c1nc(O)c2ccccc2n1 33568807 QHXHXSUSLBEMLG-KXOKJJJCSA-N 493.570 6.755 50 10 JKGE Cc1cccn2c(=O)c(/C=C(\C#N)c3nc4ccccc4[nH]3)c(Oc3ccccc3Cl)nc12 33583988 MXAPQUBURBFWDW-DTQAZKPQSA-N 453.889 5.389 50 10 JKGE COc1cc(/C=C(/C#N)c2nc(-c3ccc(CC(C)C)cc3)cs2)ccc1OCc1ccccc1 33928467 IDIJPAMEFQVXPZ-QQXSKIMKSA-N 480.633 7.660 50 10 JKGE C=CCOc1ccc(C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@@H]3c2ccc(Cl)cc2Cl)cc1 38655412 IVIOXCUMIPPENB-XMMPIXPASA-N 493.346 5.996 50 10 JKGE CCCCOc1cccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4ccc([N+](=O)[O-])cc4)ccc32)c1 38685122 HHLPUKCGUNUDDH-VWLOTQADSA-N 485.496 5.211 50 10 JKGE CCCCOc1cccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4cccc(OCCC)c4)ccc32)c1 38685211 XGNACHZDTJRWRJ-NDEPHWFRSA-N 498.579 6.092 50 10 JKGE Cc1ccc(C(=O)N/N=C2\CCCc3oc(C(=O)Nc4cccc5cccnc45)c(C)c32)cc1 40804823 XVLAHIMGOGUMJQ-TWKHWXDSSA-N 452.514 5.167 50 10 JKGE Cc1ccccc1C(=O)N/N=C1\CCCc2oc(C(=O)Nc3cccc4ccccc34)c(C)c21 40811515 LEXOUQMJDRLIFH-JJKYIXSRSA-N 451.526 5.772 50 10 JKGE Cc1c(C(=O)Nc2ccc(Oc3ccccc3)cc2)oc2c1/C(=N/NC(=O)c1ccc(F)cc1)CCC2 40811860 ZGABBWSKBQMVJD-FEZSWGLMSA-N 497.526 6.242 50 10 JKGE O=C/C(=C\Nc1ccc(C(F)(F)F)cc1)[C@@H](Nc1ccc(C(F)(F)F)cc1)c1ccco1 48546629 FYAOQENORORLAI-CMQXMCPJSA-N 454.370 6.665 50 10 JKGE Cc1cccc(NC(=O)Cn2cc(/C=N/NC(=O)c3cc4ccccc4o3)c3ccccc32)c1 59304296 RSKYEVZFJMTWDR-RWPZCVJISA-N 450.498 5.099 50 10 JKGE COc1cc(/C=C(/C#N)c2ccc(Br)cc2)c(Br)cc1OCc1ccccc1 96453943 LFNXCOQXALHBOE-ODLFYWEKSA-N 499.202 6.863 50 10 JKGE C=CCNC(=O)/C(C#N)=C1\S[C@H](Cc2cccc(C(F)(F)F)c2)C(=O)N1c1ccc(C)c(C)c1 101241976 QBHAISPWSVENBW-SSXUBFHHSA-N 485.531 5.051 50 10 JKGE CCc1ccc(NC(=O)/C(C#N)=C2\S[C@@H](Cc3ccccc3)C(=O)N2c2ccccc2)cc1 102462006 WLNUNOWEHUOZKF-FYAMCCBRSA-N 453.567 5.314 50 10 JKGE Cc1ccc(N/C=C(\C=O)c2nc3ccccc3o2)cc1N/C=C(/C=O)c1nc2ccccc2o1 103934136 SIFYPWGAWZGTMF-QBSYBSNLSA-N 464.481 5.581 50 10 JKGE Clc1ccc(Br)cc1[C@@H](Cl)c1cc(Br)ccc1Br 104031394 PWSFBWHJVCPUCZ-ZDUSSCGKSA-N 473.817 6.956 50 10 JKGE CCc1cccc(CC)c1N/C(SCc1ccc(F)cc1)=C(\C#N)S(=O)(=O)c1ccccc1 104689241 JPMVAFKQGNWSIO-LCUIJRPUSA-N 480.630 6.462 50 10 JKGE CCOc1ccc(Br)cc1[C@@H](Br)c1cccc(I)c1 109871976 ZUIOEIJPLNEXCL-HNNXBMFYSA-N 495.980 5.937 50 10 JKGE Cc1c(Br)cccc1[C@H](Br)c1cc(Cl)c(Br)s1 127573391 FGUQHOMIYBKJCQ-NSHDSACASA-N 459.428 6.719 50 10 JKGE Cc1sc(Br)cc1[C@@H](Br)c1ccc(Br)c(Cl)c1 148983753 JEFURJSVLKUTSY-LBPRGKRZSA-N 459.428 6.719 50 10 JKGE CCOc1cc(/C=N\NC(=O)c2ccc(O)cc2)ccc1OCc1ccc(Cl)c(Cl)c1 169886414 FSUNLEKEMPWMIN-ZMFRSBBQSA-N 459.329 5.441 50 10 JKGE CCOc1ccc(-c2nn(-c3ccccc3)cc2/C=C2\C(=O)N([C@H](C)CC)C(=O)C(C#N)=C2C)cc1F 214256942 QIDWPVPRWKEGJF-NLKUQUHMSA-N 498.558 5.468 50 10 JKGE N#C/C(=C/Nc1ccc(F)c(Cl)c1)C(=O)N1CCN(C(c2ccccc2)c2ccccc2)CC1 216503536 PDWKWDKWQFWYMO-QOCHGBHMSA-N 474.967 5.232 50 10 JKGE CC[C@@H](C)c1ccccc1N/C=C(/C#N)C(=O)N1CCN(C(c2ccccc2)c2ccccc2)CC1 216507542 WWJVOEYJFNSICA-NLTRVXJZSA-N 478.640 5.953 50 10 JKGE CCCCC[C@H](/C=C/[C@@H]1[C@H](OC(=O)c2ccccc2)C[C@H]2OC(=O)C[C@H]12)O[Si](C)(C)C(C)(C)C 219191168 HCFDVFAZKOSMJZ-RXBFDNEXSA-N 486.725 6.691 50 10 JKGE COc1ccc([C@H](Br)c2cccc(Br)c2)c(OC)c1Br 224855946 OMPNEOQXZMBLGL-CYBMUJFWSA-N 464.979 5.713 50 10 JKGE COc1cc(Cl)c([C@H](Cl)c2cc(Cl)ccc2I)cc1Cl 234902284 GNTKXFAEEVFIDV-AWEZNQCLSA-N 461.941 6.588 50 10 JKGE Cc1cc(Br)c([C@H](Br)c2scc(C)c2Cl)cc1Br 235934423 WEENKEWJLJYSDX-NSHDSACASA-N 473.455 7.028 50 10 JKGE O=C(CSc1nnc(SCc2cccc3ccccc23)s1)NN=Cc1ccccc1F 254838773 SDNQJJUKMRHDPX-UHFFFAOYSA-N 468.604 5.365 50 10 JKGE O=C(CSc1nnc(-c2ccccc2)s1)NN=Cc1ccccc1OCc1ccc(Cl)cc1 256028533 SQIXFASJQXHMNV-UHFFFAOYSA-N 495.029 5.680 50 10 JKGE C[C@H](Cl)c1nc2cc(F)c(Br)cc2n1[C@@H]1CCN(Cc2ccccc2)[C@H]1C 312593592 DYABSKLJNJYUQN-CKFHNAJUSA-N 450.783 6.073 50 10 JKGE COc1cc(Br)c([C@@H](Br)c2coc(Br)c2)cc1OC 378895155 BXSLEZUQFNOBSR-ZDUSSCGKSA-N 454.940 5.306 50 10 JKGE COc1c(C)cc(Br)c(C)c1[C@H](Br)c1cnn(C)c1Br 381818422 TZVVLPIBIPFPAJ-GFCCVEGCSA-N 466.999 5.055 50 10 JKGE Clc1ccc(Br)c([C@H]2CN(Cc3ccccc3)C[C@H]2CI)c1 382725601 PXUXTSSATCTRKQ-PBHICJAKSA-N 490.610 5.753 50 10 JKGE Cc1cc(Br)c([C@H](Br)c2cccc(F)c2C)cc1Br 398894202 DEJNUZIZQXHBGU-OAHLLOKOSA-N 450.971 6.452 50 10 JKGE C[C@H]1CN(c2cccc(Br)c2CBr)[C@H](C)[C@H](C)N1Cc1ccccc1 404295834 XEUVQICBWJIDEC-YESZJQIVSA-N 466.261 5.832 50 10 JKGE C[C@H](Cl)c1nc2cccc(Br)c2n1-c1cccc(I)c1 697743061 BXSSFHVKBGYNQG-VIFPVBQESA-N 461.528 5.692 50 10 JKGE COc1ccc2nc([C@@H](C)Cl)n(CC3(N(Cc4ccccc4)Cc4ccccc4)COC3)c2c1 705610228 LQDSDPFCLJJNGC-OAQYLSRUSA-N 476.020 5.816 50 10 JKGE Brc1ccc(Br)c([C@H](Br)c2ccc(C3CC3)s2)c1 707925720 QXGRHOUBWQRZID-AWEZNQCLSA-N 451.021 6.635 50 10 JKGE Cc1ccc([C@@H](Cl)c2cccc(F)c2I)c(C)c1Br 721719408 OSMZJXHXQPQBRD-CQSZACIVSA-N 453.520 6.138 50 10 JKGE COc1ccc(Br)cc1C=NNC(=O)c1cccc(NC(=O)c2cccc(Cl)c2)c1 1081168674 BGJPUMZHTZLFCX-UHFFFAOYSA-N 486.753 5.127 50 10 JKGE O=C(COc1ccc(Cl)cc1)NN=Cc1cc(Br)ccc1OCc1ccccc1 1084251010 IDAHFTNQFUSASV-UHFFFAOYSA-N 473.754 5.211 50 10 JKGE Cc1ccc(S(=O)(=O)OC[C@H](C)[C@H]2CC[C@@H]3[C@H](O[Si](C)(C)C(C)(C)C)CCC[C@]32C)cc1 1084288668 YPZVZHFTOWMQHV-INVLFURNSA-N 480.787 6.943 50 10 JKGE Cc1ccc(Cl)cc1-c1ccc(C=NNC(=O)c2cc3cc(Br)ccc3o2)o1 1084295461 HNBIRBRMOMVINA-UHFFFAOYSA-N 457.711 6.181 50 10 JKGE Cc1cccc(NC(=O)/C(C#N)=C\c2cn(Cc3ccc(Cl)c(Cl)c3)c3ccccc23)c1C 1084470118 WEFHRTVTDPRSKU-MOSHPQCFSA-N 474.391 7.159 50 10 JKGE Cc1cc(C)c(C(CSc2nc3ccccc3s2)=NNC(=O)c2ccccc2Cl)cc1C 1084558599 PBGOQOLHVOKPGV-UHFFFAOYSA-N 480.058 6.801 50 10 JKGE O=C(CSc1cc(Cl)c(Cl)cc1Cl)NNC(=O)Nc1cccc(C(F)(F)F)c1 1616049028 QLFAPHWLFMGXSG-UHFFFAOYSA-N 472.703 5.611 50 10 JKGE CCCCCCOc1ccc(C=NNC(=O)[C@H](C)Oc2ccc(C(C)(C)C)cc2)cc1OC 1772755834 GHKVDAYXQRICPS-FQEVSTJZSA-N 454.611 5.869 50 10 JKGE CC(C)[C@H]1CC[C@@H](C)C[C@@H]1OC(=O)[C@@H](C)Oc1cccnc1NC(=O)Nc1ccc(SC#N)cc1 1858866935 ZUORVCKFPIOEJL-PGCKSFNISA-N 496.633 6.070 50 10 JKGE COc1cc(-c2nc3ccc(C(=O)Nc4ccc(SC#N)cc4)cc3[nH]2)cc(Cl)c1OC 1861860055 IYIURFMGDUAXBI-UHFFFAOYSA-N 464.934 5.726 50 10 JKGE COc1ccc(-c2nn(Cc3ccc(Cl)cc3)c3c2[C@H](c2cccc(O)c2)C(C#N)=C(N)O3)cc1 1865681716 UMEHSDXVNGLNHF-HSZRJFAPSA-N 484.943 5.184 50 10 JKGE CC(C)(C)c1ccc([C@@H]2C(C#N)=C(N)Oc3c2c(C(F)(F)F)nn3Cc2cccc(F)c2)cc1 1865682051 DTMJWGSBBZEQTA-LJQANCHMSA-N 470.470 5.605 50 10 JKGE CCc1nn(Cc2cccc(Cl)c2)c2c1[C@H](c1ccc(Cl)c(Cl)c1)C(C#N)=C(N)O2 1865684987 BSZAABYDNZXUHI-LJQANCHMSA-N 459.764 5.672 50 10 JKGE CCc1nn(Cc2ccc(Cl)c(Cl)c2)c2c1[C@@H](c1c(Cl)cccc1Cl)C(C#N)=C(N)O2 1865685516 JQOAANVCWCOEMZ-GOSISDBHSA-N 494.209 6.326 50 10 JKGE CCCc1nn(Cc2ccccc2Cl)c2c1[C@@H](c1ccc(OC(C)C)c(OC)c1)C(C#N)=C(N)O2 1865695879 ABZZWPYBABMAFV-DEOSSOPVSA-N 493.007 5.551 50 10 JKGE CCCc1nn(Cc2ccc(Cl)c(Cl)c2)c2c1[C@@H](c1ccc(F)cc1)C(C#N)=C(N)O2 1865707962 KKCVBFUHGXODDN-FQEVSTJZSA-N 457.336 5.548 50 10 JKGE CCc1nn(Cc2ccc(C)cc2)c2c1[C@@H](c1cccc(OCc3ccccc3)c1)C(C#N)=C(N)O2 1865711649 DMDXWYPQXVBBIO-MHZLTWQESA-N 476.580 5.599 50 10 JKGE Cc1nc(-c2ccc(Cl)cc2Cl)ccc1C(=O)N/N=C\c1c(Cl)nc2scc(C)n12 1865760656 IVPMQZQATDLBFS-GYRAYZOKSA-N 478.792 5.799 50 10 JKGE CC[C@@](C)(NC(=O)C[C@H](c1ccc(C(C)C)cc1)C(C)C)C(=O)Nc1ccc(SC#N)cc1 1866744186 FZXKELWBFQHWRG-RPLLCQBOSA-N 465.663 6.436 50 10 JKGE C[C@@H](C(=O)N[C@@H](C(=O)Nc1ccc(SC#N)cc1)c1ccccc1)c1ccc(Br)cc1 1866944589 RAOJZZCSXNWJNB-OPAMFIHVSA-N 494.414 5.622 50 10 JKGE CCC[C@H](NC(=O)[C@H](c1ccc(Cl)cc1)C1CCCC1)C(=O)Nc1ccc(SC#N)cc1 1867004426 DZBQBIFSDLWOHN-GOTSBHOMSA-N 470.038 6.111 50 10 JKGE CCc1nc(Nc2ccc(SC#N)cc2)cc(N2CCC(Cc3ccc([N+](=O)[O-])cc3)CC2)n1 1868278305 ZOLZOSGBVSEEAL-UHFFFAOYSA-N 474.590 5.723 50 10 JKGE CCCc1nc(Nc2ccc(SC#N)cc2)cc(N2CCN(CCCc3cccc(F)c3)CC2)n1 1868388167 GDGLLFSPVATZBO-UHFFFAOYSA-N 490.652 5.640 50 10 JKGE CCCCCCCCCOc1ccc(/C=C(\C#N)S(=O)(=O)c2ccc(Cl)cc2)c(Cl)c1 1872727149 AOLOROZMTHQUTR-XQNSMLJCSA-N 480.457 7.461 50 10 JKGE N#C/C(=C(/O)c1cc2ccccc2oc1=O)c1nc(-c2cccc(Br)c2)cs1 1872746155 VCKDIVYKRQQKII-MNDPQUGUSA-N 451.301 5.629 50 10 JKGE COc1c(Cl)cc(Cl)cc1-c1csc(/C(C#N)=C(\O)c2ccc(F)c(F)c2F)n1 1872754178 GSBYJDXPIRXRRH-BOPFTXTBSA-N 457.260 6.493 50 10 JKGE CCOc1ccc(-c2csc(/C(C#N)=C(\O)c3cc(OC)c(OC)cc3[N+](=O)[O-])n2)c(OCC)c1 1872755375 KQYLWGUXSNRDMX-QJOMJCCJSA-N 497.529 5.483 50 10 JKGE Cc1ccc(C(C)(C)C)cc1-c1csc(/C(C#N)=C(\O)CCCOc2ccc(C(C)(C)C)cc2)n1 1872755951 NEPLBKVGVUGBBV-RFBIWTDZSA-N 488.697 8.365 50 10 JKGE COc1ccc(-c2csc(/C(C#N)=C/c3cccc(OC)c3OCc3cccc(C)c3)n2)cc1F 1872792097 DVGWMSCFECGANT-LPYMAVHISA-N 486.568 6.918 50 10 JKGE Brc1ccccc1[C@@H](CI)OCCCOCc1ccccc1 1910509605 MDKWCNPRQBDQAE-GOSISDBHSA-N 475.164 5.549 50 10 JKGE Cc1cccc([C@H](Br)c2sc(Br)cc2Br)c1Cl 1922934464 GYTYMLKRADDFQP-JTQLQIEISA-N 459.428 6.719 50 10 JKGE COCc1csc([C@@H](Br)c2c(Br)sc(Br)c2Cl)c1 1923039649 PVFDNIZRTYMBFQ-MRVPVSSYSA-N 495.483 6.619 50 10 JKGE Clc1c(Br)sc(Br)c1[C@H](Cl)[C@@H]1CCC[C@H]2CCCC[C@H]21 1923067434 CJQUGQHPGYWPNV-DNRKLUKYSA-N 461.090 7.813 50 10 JKGE Cc1cc(Br)c([C@H](Br)[C@H](C)c2ccncc2Br)cc1Cl 1924042729 CVYHHVABABRCBR-RFAUZJTJSA-N 482.441 6.808 50 10 JKGE Cl[C@H](c1ccc2c(c1)CCCC2)c1c(Br)sc(Br)c1Br 1924570686 LTAWSOXNKKNZFD-CYBMUJFWSA-N 499.493 7.243 50 10 JKGE Cc1c(Cl)cccc1[C@H](Cl)c1c(Br)sc(Br)c1Br 1924592074 WGOBVBIFHMCIIJ-JTQLQIEISA-N 493.873 7.326 50 10 JKGE C[C@@H]1COc2ccc([C@H](Br)c3ccc(I)c(Cl)c3)cc21 1925753022 FUJJRITZZQIXSH-ABKXIKBNSA-N 463.540 5.925 50 10 JKGE Clc1cc(Br)c([C@@H](Br)c2cc(Br)ccc2Cl)s1 1948823839 RRIRPYHDUQNAEQ-JTQLQIEISA-N 479.846 7.064 50 10 JKGE Cl[C@H](C[C@H]1C[C@H]2C[C@H]2C1)c1c(Br)sc(Br)c1Br 1950173989 QWKIQLLUNWCXHI-OOJXKGFFSA-N 463.460 6.752 50 10 JKGE C[C@H](CCBr)N(Cc1ccccc1)C(=O)c1cc(Br)c(Cl)s1 1961681455 XTVKBAWQBJJDNA-LLVKDONJSA-N 465.638 5.980 50 10 JKGE Clc1ccc([C@H](Br)c2ccc(Br)cc2I)s1 1995286327 RPBDMFLVXYWOJA-LLVKDONJSA-N 492.401 6.253 50 10 JKGE ClCC1(N(Cc2ccccc2)Cc2ccc(I)c(Cl)c2)CCC1 1995480465 YXRGFHMHSUCKSF-UHFFFAOYSA-N 460.186 6.108 50 10 JKGE Brc1cc([C@H](Br)[C@]23CCCC[C@@H]2CCC3)c(Br)s1 2031751531 FAJAGUMEMHJRJF-LQJRIPTKSA-N 457.069 7.070 50 10 JKGE CCN(C[C@](C)(CI)OC[C@@H]1C[C@H]1C1CCCC1)C(=O)OC(C)(C)C 2079995895 PEYJQZQLQHJYKF-ZWOKBUDYSA-N 465.416 5.280 50 10 JKGE COc1cc(Cl)c([C@@H](Cl)c2cscc2OCc2ccccc2)cc1Br 2082381662 GRSDOSYIWADFPP-LJQANCHMSA-N 458.204 7.080 50 10 JKGE COc1cc(Cl)c([C@H](Cl)c2cc(I)sn2)cc1Br 2082384664 JSJMYXJLIGDKQE-NSHDSACASA-N 478.964 5.500 50 10 JKGE Cc1ccc([C@@H](Cl)c2ccc(Br)cc2Br)c(Br)c1 2083324380 ZTWJKCNDRFYDOO-CQSZACIVSA-N 453.399 6.611 50 10 JKGE CC(C)(CC(CBr)(CBr)c1cccc(Br)c1)C(F)F 2089064600 JCLSADXBERDWHB-UHFFFAOYSA-N 462.998 6.158 50 10 JKGE Cc1cc(Br)c([C@@H](Br)C2CC(C(F)(F)F)C2)cc1Br 2098324460 JCEXZPOLBKGOGM-TYAJBCFHSA-N 464.945 6.545 50 10 JKGE ClCc1ccc(Br)c(Cl)c1N1CC[C@@H]2CN(Cc3ccccc3)C[C@@H]2C1 2112432392 XRKKPGDVTOBUEF-QZTJIDSGSA-N 454.239 5.800 50 10 JKGE Cl[C@@H](CCc1ccc(Br)cc1Br)c1ccccc1Br 2113441282 GJMYSBLPYCAVEC-HNNXBMFYSA-N 467.426 6.887 50 10 JKGE COc1ccc([C@@H](Br)c2cc(Br)cs2)c(OC)c1Br 2115926099 RWYHUZLISJLYED-LLVKDONJSA-N 471.008 5.775 50 10 JKGE Cc1cc(Br)c(CBr)c(N(C)C[C@@H]2CCCN(Cc3ccccc3)C2)c1 2116805725 KWKXYBPSAXRGEJ-IBGZPJMESA-N 480.288 6.001 50 10 JKGE Cc1nn(C)c(Br)c1[C@@H](Br)c1ccc(F)c(Br)c1F 2129268069 QHWUFLZQYUADKQ-VIFPVBQESA-N 458.926 5.016 50 10 JKGE COc1cc(F)c([C@@H](Br)c2c(C)nsc2Br)cc1Br 2138147448 AZMJGCSNEYGQMJ-LLVKDONJSA-N 473.987 5.609 50 10 JKGE Cc1cc([C@@H](Br)Cc2cccc(Cl)c2F)ccc1I 2142105058 DMNVHPFESLDMCY-LBPRGKRZSA-N 453.520 6.071 50 10 JKGE COc1ccc(F)cc1[C@H](Br)c1ccc(Br)cc1I 2142287314 LYZGGWFPYVFVII-CQSZACIVSA-N 499.943 5.686 50 10 JKGE Cc1cc([C@H](Br)c2cc(Br)c3c(c2)C[C@@H](C)O3)sc1Br 2146630359 WJTDRCNCXUYTPD-AMIZOPFISA-N 481.047 6.389 50 10 JKGE C[C@@H]1CC[C@@H](C(C)(C)Cc2ccc(Br)cc2Br)[C@H](Br)C1 2148687555 FWBHAXXIYDYIND-DJSGYFEHSA-N 467.083 6.980 50 10 JKGE CCn1ncc(Br)c1C[C@@H](CBr)Cc1ccc(Br)cc1 2150691541 SMTSVVPXZDCZTL-LBPRGKRZSA-N 465.027 5.224 50 10 JKGE CC[C@@](C)(Cn1c(CCl)nc2cc(I)c(F)cc21)N(C)Cc1ccccc1 2155095149 QTFCGSFODZWGMQ-NRFANRHFSA-N 499.799 5.820 50 10 JKGE Cc1c([C@H](Br)c2scc(C(F)(F)F)c2Br)c(Br)nn1C 2188149203 XWRIJMZJCMQZGC-QMMMGPOBSA-N 496.972 5.818 50 10 JKGE C[C@H]1OCC[C@H]1CCC(CBr)(CBr)c1ccccc1Br 2196315018 KLFZRZXGQUIFMI-CHWSQXEVSA-N 469.055 5.682 50 10 JKGE CC[C@H]1CC[C@H]([C@H](Br)c2c(C)c(Br)cc(C)c2Br)CC1 2201074085 PZMIGIUNQDJBJN-DCGLDWPTSA-N 467.083 7.481 50 10 JKGE C[C@H]1Cc2cc([C@H](Cl)c3ccc(Br)cc3I)ccc2O1 2207274166 ZGMIIUZVDXUNJJ-FVMDXXJSSA-N 463.540 5.705 50 10 JKGE Cc1c(Br)csc1[C@@H](Br)c1cc(C2CC2)c(Br)s1 2219005009 JNVOMZWXXGNRMN-NSHDSACASA-N 471.077 7.005 50 10 JKGE Cn1c([C@H](Br)c2c(Br)cc(Cl)c(Cl)c2Cl)cnc1Cl 2224310059 FLYOLOXEJKLXTK-QMMMGPOBSA-N 467.803 6.281 50 10 JKGE CC[C@@]1([C@@H](Br)c2c(Br)cc(Cl)c(Cl)c2Cl)CC1(F)F 2224321646 MLDJXNARPWXPAN-QWRGUYRKSA-N 457.367 7.281 50 10 JKGE Cc1sc([C@@H](Br)[C@H](C)c2ccncc2Br)c(C)c1Br 2226084002 IKBIEUYMLDWZNC-UHLUBPPHSA-N 468.052 6.525 50 10 JKGE Fc1ccc(Cl)c(F)c1[C@H](Br)c1ccc(Br)cc1Br 2226565066 IQDRMKASWMFWLS-GFCCVEGCSA-N 475.352 6.628 50 10 JKGE Cc1cc(Br)c([C@H](Br)C2(C)CCOCC2)c(C)c1Br 2227349387 BZMPPEVBIUXYNC-AWEZNQCLSA-N 455.028 6.081 50 10 JKGE COc1ccc(Oc2ccc(Br)cc2Br)c(CBr)c1 2227688856 WKCKBIANSWHSAC-UHFFFAOYSA-N 450.952 5.907 50 10 JKGE Clc1cc(Cl)cc(C[C@@H](Br)c2ccc(Br)cc2Br)c1 2232160761 DHEKCMFYNIWJTF-CYBMUJFWSA-N 487.844 7.197 50 10 JKGE CCOCc1cc(Br)c([C@H](Br)c2nn(C)c(Cl)c2Cl)s1 2233035355 KPYMMPBEBXEELK-MRVPVSSYSA-N 463.022 5.572 50 10 JKGE COc1ccc([C@H](Br)c2sc(C)c(C)c2Br)c(Cl)c1Cl 2237631057 DKUUUCWXKVSGRM-NSHDSACASA-N 459.030 6.927 50 10 JKGE Cl[C@@H](c1ccc([C@@H]2CCOC2)s1)c1ccc(Br)cc1I 2240425700 BSJYYXMDVAZLFV-RFAUZJTJSA-N 483.596 5.947 50 10 JKGE Clc1ccc([C@H](Cl)Cc2ncccc2Br)cc1I 2256330846 FBYQIADBSDICOC-LLVKDONJSA-N 456.936 5.625 50 10 JKGE Cc1csc([C@H](Cl)c2c(F)cc(Br)c(F)c2Br)c1Cl 2272721415 HWPCVZRNUMJCFW-SNVBAGLBSA-N 450.957 6.841 50 10 JKGE CCC1CCC([C@@H](Br)Cc2cc(Br)cc(Br)c2)CC1 2277961225 QPEIZRSPRQLCAZ-TZDAIYRESA-N 453.056 6.734 50 10 JKGE FC1(F)C[C@@](CBr)(Cc2c(Br)cccc2Br)C12CCC2 2280850416 UYGVPNJWQGQZAW-CYBMUJFWSA-N 472.993 6.345 50 10 JKGE C[C@@H](c1ccncc1Br)[C@H](Br)c1cc(Br)c(F)cc1Cl 2285977556 GPBCONAAPUPJTI-WJWGPLDTSA-N 486.404 6.639 50 10 JKGE Fc1cc(Br)c(F)c(Br)c1[C@@H](Br)CC1CC2(CCC2)C1 2288480594 LBKREOPSVSMGQB-VIFPVBQESA-N 472.993 6.896 50 10 JKGE Cc1ccc(F)c([C@@H](Br)c2c(F)cc(Br)c(F)c2Br)c1 2288493235 PXLPWEVJODKSJD-GFCCVEGCSA-N 472.924 6.422 50 10 JKGE C[C@@](CI)(OCc1cc(Br)ccc1Cl)c1ccccc1 2295174471 AJHUCTINYXOCBZ-INIZCTEOSA-N 465.556 5.970 50 10 JKGE CC(C)Cc1ccc(-c2csc(C(C#N)=CNc3ccccc3OC(F)(F)[C@@H](F)Cl)n2)cc1 2295945839 FVZOOBHJHGRJRP-HSZRJFAPSA-N 491.966 7.491 50 10 JKGE COc1cccc(-c2csc(C(C#N)=CNc3ccc(Cl)cc3C(=O)c3ccccc3)n2)c1 2295956254 OKRVATYGDYCYFH-UHFFFAOYSA-N 471.969 6.680 50 10 JKGE N#CC(=Cc1cc([N+](=O)[O-])ccc1OCc1ccc(Cl)cc1Cl)c1nc2ccccc2[nH]1 2296736725 OBKAVJSPHVSCCB-UHFFFAOYSA-N 465.296 6.421 50 10 JKGE N#CC(=Cc1cc(Br)ccc1OCc1ccc(F)cc1)C(=O)Nc1cccc([N+](=O)[O-])c1 2297533930 ANWONUZZQQBNJL-UHFFFAOYSA-N 496.292 5.621 50 10 JKGE CCC(CC)(CC)[C@H](Br)c1cc(Br)ccc1OCc1ccccc1 2299488848 KHIXPHCGNGIOFT-HXUWFJFHSA-N 454.246 7.681 50 10 JKGE Cn1c([C@H](Br)c2ccc(OCc3ccccc3)cc2Br)cnc1Cl 2299504364 MOVFBBMZNDQZRV-QGZVFWFLSA-N 470.592 5.899 50 10 JKGE CC(C)[C@H]1CCc2c(Br)cc(OCc3ccccc3)cc2[C@H](Br)C1 2299517466 KWWUCSQIVZYDEM-OXJNMPFZSA-N 452.230 7.073 50 10 JKGE Cc1sc([C@H](Cl)c2ccc(OCc3ccccc3)cc2Br)cc1Br 2299531416 WBCDUCUOMVGHCL-LJQANCHMSA-N 486.656 7.489 50 10 JKGE CN(C)C(=O)C(C#N)=Cc1cc(Cl)c(OCc2cccc3ccccc23)c(Br)c1 2313567298 IKLHBPZMGOXGEG-UHFFFAOYSA-N 469.766 5.830 50 10 JKGE Cc1cccc([C@H](Cl)c2ccc(OCc3ccccc3)cc2Br)c1Br 2314451580 GLSYHRCLWYKNMK-OAQYLSRUSA-N 480.627 7.427 50 10 JKGE CCOc1cc(C=C2C(=O)N(Cc3ccc(C)cc3)C(=O)C(C#N)=C2C)ccc1OCCC(C)C 2314616459 AZIKGDRZXRBCJN-UHFFFAOYSA-N 472.585 5.611 50 10 JKGE CCCOc1ccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)C=Cc4ccccc4)ccc32)cc1OCC 2314634749 GBRBHOVCSDUXET-GDLZYMKVSA-N 496.563 5.711 50 10 JKGE COc1cc(C=C(C#N)c2cccc(Cl)c2)ccc1OC(=O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1 2320506959 VIVCOGIXQGREIP-UHFFFAOYSA-N 479.832 5.448 50 10 JKGE CC(C)Oc1ccc(C=NNC(=O)c2ccc3[nH]c4c(c3c2)CCCC4)cc1Br 2323150926 YJXJEUFJMYOJSL-UHFFFAOYSA-N 454.368 5.360 50 10 JKGE N#CC(=C(O)C=Cc1ccc(Cl)cc1Cl)c1nc(-c2ccc3c(c2)CCCC3)cs1 2331240052 KLSPJJATSWBFFD-UHFFFAOYSA-N 453.394 7.502 50 10 JKGE CC[C@H](C)[C@@H](C(O)=C(C#N)c1nc(-c2ccc(F)cc2F)cs1)N1C(=O)c2ccccc2C1=O 2331293045 KXBGCGPGXLIVQB-ZSEKCTLFSA-N 479.508 5.592 50 10 JKGE CCCCCCOc1ccc(C=C(C#N)c2nc(-c3ccc4c(c3)OCO4)cs2)cc1OC 2331453832 QEZRCQFKDYJJIN-UHFFFAOYSA-N 462.571 6.571 50 10 JKGE COc1cc(C=C(C#N)c2nc(-c3ccc(C)c(C)c3)cs2)ccc1OCc1ccc(Cl)cc1 2331473299 XNHBTVXVYWLCDL-UHFFFAOYSA-N 487.024 7.732 50 10 JKGE CO[C@@H]1C[C@H]([C@H](Br)c2cc(Br)ccc2OCc2ccccc2)C12CCC2 2336040351 FASYRPWEAXQJGQ-HMXCVIKNSA-N 480.240 6.669 50 10 JKGE Brc1cc(OCc2ccccc2)ccc1[C@H](Br)[C@@H]1C[C@H]2CCC[C@H](C2)C1 2336044492 OONZAMBAJDHYFR-GKAYAJSDSA-N 478.268 7.681 50 10 JKGE Cc1ccc(C)c(C[C@@H](Br)c2ccc(OCc3ccccc3)cc2Br)c1 2336084869 XSLFEVZCRLVWDQ-JOCHJYFZSA-N 474.236 7.324 50 10 JKGE Cc1cc(Br)c(F)c(Br)c1[C@@H](Cl)c1scc(Br)c1C 2339640215 VSWPQZYKUJVSEC-LLVKDONJSA-N 491.445 7.120 50 10 JKGE COc1c(Br)cc(C)c([C@@H](Br)c2sccc2C)c1Br 2339692586 ZSCCEOCPEJKWDB-GFCCVEGCSA-N 469.036 6.383 50 10 JKGE CC(C)n1nc(Br)nc1C[C@@H](Br)c1ccc(Br)cc1 2353753324 YCZDXRYYUTUJHG-LLVKDONJSA-N 451.988 5.063 50 10 JKGE Brc1cc(OCc2ccccc2)ccc1[C@H](Br)[C@@H]1C[C@H]2CCCCCC[C@@H]21 2361200413 JJJHYAAFOUCHMI-BTDSVWAKSA-N 492.295 8.071 50 10 JKGE C[C@H]1C[C@@H]([C@@H](Br)c2c(Cl)cc(Br)c(F)c2Br)C[C@@H](C)O1 2362250182 ZORLFAUTPAAKQV-MOEZTCPLSA-N 493.436 6.644 50 10 JKGE COc1c(Br)cc(C)c([C@@H](Br)C23CC(CCO2)C3)c1Br 2365182717 CYFSNQDGHAOLJK-JBLLZRQOSA-N 469.011 5.534 50 10 JKGE COc1c(Br)cc(C)c([C@H](Br)[C@@H]2C(F)(F)C23CC3)c1Br 2365235979 MTVXOXDITDJQKG-JQWIXIFHSA-N 474.965 6.010 50 10 JKGE CC(C)CO[C@@H]1[C@@H](Br)C[C@@H]1OCc1c(Br)cccc1Br 2366185343 ULWLTKPHVRCNLA-SOUVJXGZSA-N 471.027 5.305 50 10 JKGE Cc1cc(Br)c([C@H](Br)c2cc3c(cc2Br)OCCC3)s1 2369613949 TVDVQWNITYBGMD-CQSZACIVSA-N 481.047 6.391 50 10 JKGE CCn1c2ccccc2c2cc(/C=N/NC(=O)CCC(=O)Nc3cccc(Cl)c3C)ccc21 12574488 HAAUSGLIMCDFPQ-LQKURTRISA-N 460.965 5.645 50 10 JKGE CCCCCCOc1ccc(C(=O)NNC(=O)c2cc(Br)ccc2OC(C)C)cc1 14668087 KHAYQARHHWIPQO-UHFFFAOYSA-N 477.399 5.270 50 10 JKGE CCCOc1ccc(Br)cc1/C=N/NC(=O)[C@@H](C)Oc1ccc2ccccc2c1 20595645 QLFMFHVUFDUGBD-FYHAJLKWSA-N 455.352 5.309 50 10 JKGE Cc1ccc(COc2ccc3ccccc3c2/C=N/NC(=O)CSc2nc3ccccc3s2)cc1 32520775 HIZGVJILTNOVQC-MUFRIFMGSA-N 497.645 6.579 50 10 JKGE C[C@H]1Oc2ccccc2C=C1/C=C(/C#N)c1nc(-c2ccccc2)c(NC(=O)c2ccco2)s1 34982895 PASZMPXXNYWERW-VKZJTJHYSA-N 465.534 6.427 50 10 JKGE Cc1ccc(COc2cccc([C@@H]3C(C#N)=C(N)Oc4cc(OC(=O)c5ccco5)ccc43)c2)cc1 38686658 DTFGIBBTAKFJCT-MHZLTWQESA-N 478.504 5.604 50 10 JKGE Cc1cc(C)cc(OC(=O)c2oc3c(c2C)/C(=N/NC(=O)c2ccc(Cl)cc2Cl)CCC3)c1 40813675 WTTCZWNIPMZFRT-VFCFBJKWSA-N 485.367 6.201 50 10 JKGE CCOC(=O)N/N=C1\CCCc2oc(C(=O)N(Cc3ccccc3)Cc3ccccc3)c(C)c21 40825518 ZPOIEZMQAZLRQE-XAYXJRQQSA-N 459.546 5.217 50 10 JKGE CC1=C(C#N)C(=O)N(CCCOC(C)C)C(=O)/C1=C/c1ccc(-c2cc(Cl)ccc2Cl)o1 101336285 ZEHPWVVPCAVDNH-LDADJPATSA-N 473.356 5.661 50 10 JKGE COc1ccc([C@@H](Br)c2cc(Br)sc2C)cc1Br 115223060 MRDKPUYWTLHMQX-CYBMUJFWSA-N 455.009 6.074 50 10 JKGE Fc1c(Cl)cccc1[C@H](Br)c1cc(Br)ccc1Br 131148834 NREQUFDWUSGXSU-LBPRGKRZSA-N 457.362 6.488 50 10 JKGE Cl[C@H](c1ccc2cc(Br)ccc2c1)c1cc(Br)c(Br)s1 159681797 KWJDLSKMSFDFDZ-CQSZACIVSA-N 495.461 7.517 50 10 JKGE CCOc1ccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)/C=C\c4ccc(C)cc4)ccc32)cc1 205660838 HLJPCUSKLXMCGP-KZIZLACBSA-N 452.510 5.231 50 10 JKGE Fc1cccc([C@@H](Br)c2cc(Br)c(Cl)s2)c1Br 227847012 GCMFHTJLTCXMIG-SNVBAGLBSA-N 463.391 6.550 50 10 JKGE ClCc1nc2ccc(Br)cc2n1-c1ccc(I)cc1Cl 232152711 LGZVOCLKWYXIQP-UHFFFAOYSA-N 481.946 5.785 50 10 JKGE COc1ccc(F)cc1[C@@H](Br)c1cc(Cl)ccc1I 234877830 ABVIVSXWLBVOFG-AWEZNQCLSA-N 455.492 5.577 50 10 JKGE Cc1cc(F)cc(C)c1[C@H](Br)c1cc(Br)ccc1Br 235785988 BXOGEZQPBPVKIU-OAHLLOKOSA-N 450.971 6.452 50 10 JKGE Cc1cccc([C@H](Br)c2cc(Cl)cc3c2OCC3)c1I 236009958 FPFQSVNVONBAKL-AWEZNQCLSA-N 463.540 5.672 50 10 JKGE Clc1ccc([C@H](Br)c2cc(Cl)c(Br)s2)c(Br)c1 236066231 RWLARWJFMVPJKU-JTQLQIEISA-N 479.846 7.064 50 10 JKGE Fc1cccc(C[C@H](Cl)c2cc(Br)ccc2I)c1F 236220958 OLELKVIZXUMVCO-NSHDSACASA-N 457.483 5.855 50 10 JKGE Cc1cccc(C)c1OCC(=O)NN=Cc1cc(N=Nc2cccc3ccccc23)ccc1O 254485373 SAQMZGUWUNWOQF-UHFFFAOYSA-N 452.514 6.107 50 10 JKGE Cc1sc([C@@H](Br)c2ccccc2OCc2ccccc2)cc1Br 309945179 CWQCUIPFIUIUHB-IBGZPJMESA-N 452.211 6.882 50 10 JKGE Fc1ccc([C@H](Br)c2cccc(OCc3ccccc3)c2)cc1Br 310540614 QRASDZDPYLWKPX-HXUWFJFHSA-N 450.145 6.652 50 10 JKGE CCc1cc(C)sc1[C@H](Br)c1cc(Br)sc1Br 379864256 RHCQXSKDNQZFDN-SNVBAGLBSA-N 459.066 6.690 50 10 JKGE CCCc1nn(C)c2c1nc([C@H](C)Cl)n2CCCN(Cc1ccccc1)Cc1ccccc1 390470228 HALWIDHCBKGITP-NRFANRHFSA-N 464.057 6.115 50 10 JKGE C[C@@H]1CN(Cc2ccccc2)CC[C@H]1n1c(CCl)nc2cc(I)ccc21 398188629 JNSGLSZNSNUXIS-DNVCBOLYSA-N 479.793 5.463 50 10 JKGE Cc1cc(Br)cc([C@@H](Br)c2cc(Cl)c(Cl)c(Cl)c2Cl)c1 404660134 QHSZAVGTTWMPFH-LLVKDONJSA-N 477.838 7.855 50 10 JKGE CC(C)(C)[Si](C)(C)OCCN1CCNC[C@@H]1c1ccc(CO[Si](C)(C)C(C)(C)C)cc1 616635621 CWOCAZGAFGTJSX-HSZRJFAPSA-N 464.843 6.177 50 10 JKGE BrCc1c(Br)cccc1OCc1ccc(I)cc1 706855762 QPRFBCWDETVLGN-UHFFFAOYSA-N 481.953 5.528 50 10 JKGE Cc1cc([C@@H](Br)c2cc(Br)c3c(c2)CCCO3)sc1Br 709710864 RLDOJBJWZGOPPW-ZDUSSCGKSA-N 481.047 6.391 50 10 JKGE CC(C)(C)OC(=O)N1CCC[C@](CI)(OC2CCCCCCC2)C1 721102595 TUCWYALXZJSYOC-LJQANCHMSA-N 451.389 5.321 50 10 JKGE Cc1cc(C)c(C(CSc2nc3ccccc3o2)=NNC(=O)c2cccc(Cl)c2)cc1C 1083948725 OWWCKMBZIPERNI-UHFFFAOYSA-N 463.990 6.333 50 10 JKGE CCCOc1c(I)cc(/C=C(\C#N)C(=O)Nc2cc(C)ccc2C)cc1OC 1083989786 NRSCQHNHIDRXJQ-LICLKQGHSA-N 490.341 5.251 50 10 JKGE N#C/C(=C\c1cc(Br)c(Br)o1)C(=O)Nc1cccc(Cl)c1Cl 1084289752 UQLXRSJZVWGSRP-QPJJXVBHSA-N 464.928 5.657 50 10 JKGE CCCc1nn(Cc2ccccc2Cl)c2c1[C@@H](c1cccc3ccccc13)C(C#N)=C(N)O2 1865682468 PETDHGRSCHGOMD-DEOSSOPVSA-N 454.961 5.909 50 10 JKGE CCCCOc1ccc([C@@H]2C(C#N)=C(N)Oc3c2c(C(F)(F)F)nn3-c2ccccc2)cc1OCC 1865686957 GDBVXXQSZBKDSP-OAQYLSRUSA-N 498.505 5.687 50 10 JKGE CCCCOc1ccc([C@H]2C(C#N)=C(N)Oc3c2c(C(F)(F)F)nn3-c2ccccn2)cc1OCC 1865687370 PTSFOAVCKNOSCN-FQEVSTJZSA-N 499.493 5.082 50 10 JKGE CCCCOc1ccc([C@H]2C(C#N)=C(N)Oc3c2c(-c2ccccc2)nn3Cc2ccccc2)cc1 1865690469 RYVMWHPOBFGZEH-SANMLTNESA-N 476.580 5.995 50 10 JKGE CCCOc1cccc([C@H]2C(C#N)=C(N)Oc3c2c(C(F)(F)F)nn3Cc2cccc(F)c2)c1 1865694115 PUVGBSIYXGEIRU-IBGZPJMESA-N 472.442 5.096 50 10 JKGE CCCc1nn(-c2cccc3ccccc23)c2c1[C@@H](c1ccc(N(CC)CC)cc1)C(C#N)=C(N)O2 1865702303 SBKNWRNPAMTPTE-MHZLTWQESA-N 477.612 6.042 50 10 JKGE COc1ccc(-c2nn(Cc3ccccc3F)c3c2[C@@H](c2ccc(F)cc2)C(C#N)=C(N)O3)cc1 1865708191 QICWNSJOOIPKLQ-QHCPKHFHSA-N 470.479 5.103 50 10 JKGE COc1ccc(-c2nn(-c3ccc(C)cc3)c3c2[C@@H](c2ccccc2OC)C(C#N)=C(N)O3)cc1 1865710260 SHHYPPOCGNSSCV-DEOSSOPVSA-N 464.525 5.083 50 10 JKGE Cc1ccc(Cn2nc(C)c3c2OC(N)=C(C#N)[C@H]3c2cccc(OCc3ccccc3)c2)cc1 1865711526 ASAYLSANURLRMK-HHHXNRCGSA-N 462.553 5.345 50 10 JKGE Cc1nn(-c2cccc3ccccc23)c2c1[C@H](c1cccc(OCc3ccccc3)c1)C(C#N)=C(N)O2 1865712056 OTVHONZHCQALCZ-GDLZYMKVSA-N 484.559 6.131 50 10 JKGE COc1ccc([C@H]2C(C#N)=C(N)Oc3c2c(-c2ccccc2)nn3-c2ccc(Br)cc2)cc1 1865712731 GJTPYGCOHXUHHO-QFIPXVFZSA-N 499.368 5.529 50 10 JKGE CCc1ccc(/C(C)=C/C(=O)N[C@H](CCSC)C(=O)Nc2ccc(SC#N)cc2)cc1 1866686130 ZDRWYPXANPKBCX-XEPMYJLFSA-N 453.633 5.102 50 10 JKGE CC[C@](C)(NC(=O)c1ccc2oc(-c3ccc(C)cc3)nc2c1)C(=O)Nc1ccc(SC#N)cc1 1866883213 GYPHDIVADXUIBY-MHZLTWQESA-N 484.581 5.914 50 10 JKGE CSCC[C@H](NC(=O)C[C@H](CC(C)C)c1ccc(F)cc1)C(=O)Nc1ccc(SC#N)cc1 1867109062 LJLKIHSAIYBDEC-CVDCTZTESA-N 487.666 5.795 50 10 JKGE COCCc1nc(Nc2ccc(SC#N)cc2)cc(N2CCc3cc(OC)ccc3[C@H]2C)n1 1868253085 BVJJHXPVKGADKN-QGZVFWFLSA-N 461.591 5.115 50 10 JKGE CN1CCN(c2cc(Nc3ccc(SC#N)cc3)nc(-c3cccnc3)n2)C[C@H]1c1ccccc1 1868564462 AVVNYAYLWXGOAB-DEOSSOPVSA-N 479.613 5.348 50 10 JKGE CCc1cccc(CC)c1N1C[C@H](/C(O)=C(\C#N)c2nc(-c3ccc(C)cc3C)cs2)CC1=O 1872748560 CJAKXTQHCRSEGB-LULRDMADSA-N 471.626 6.398 50 10 JKGE COc1cc(Br)cc(/C=C(\C#N)c2nc(-c3ccc4ccccc4c3)cs2)c1O 1872782351 GCVICQWXYDZNAO-GIJQJNRQSA-N 463.356 6.504 50 10 JKGE CCCCCCCOc1ccc(-c2csc(/C(C#N)=C/c3cc(OC)ccc3OC)n2)cc1 1872791678 QFXILWDEEPGMJZ-CJLVFECKSA-N 462.615 7.241 50 10 JKGE COC(=O)c1c(NC(=O)CCCOc2cc(C)c(Cl)c(C)c2)sc(/C(C)=C/C#N)c1C 1873428030 ILPJLWLBBMCLOG-MDWZMJQESA-N 460.983 5.838 50 10 JKGE C[C@H](c1cccs1)N(Cc1ccccc1)c1ccc(CBr)c(C(F)(F)F)c1 1914842085 KCROISDMNLHBIB-OAHLLOKOSA-N 454.355 7.430 50 10 JKGE CC[C@@H](Cl)CN(Cc1ccccc1)C(=O)c1cccc(Br)c1Br 1915096662 LPLPOGRUVSXIJC-CQSZACIVSA-N 459.609 5.871 50 10 JKGE O=C(c1sccc1I)N(Cc1ccccc1)[C@@H](CBr)C1CC1 1915315744 YEZYUCASFZXKCJ-HNNXBMFYSA-N 490.204 5.169 50 10 JKGE Clc1c(Br)sc(Br)c1[C@@H](Br)C12CCC(CC1)C2 1923062534 RKNVRHWCXQOSFD-ATZMEGNHSA-N 463.460 6.943 50 10 JKGE O=C(c1c(Br)cccc1Br)N(CCBr)Cc1ccccc1 1930702968 CGUAQSAPHGDJLK-UHFFFAOYSA-N 476.006 5.249 50 10 JKGE Clc1c(Br)ccc(CBr)c1N1CC[C@H](OCc2ccccc2)C1 1939324182 VTCIFEMTERDBSM-HNNXBMFYSA-N 459.609 5.793 50 10 JKGE Clc1cc([C@@H](Br)c2cc(Br)cs2)sc1Br 1961681112 WCTFODBQGKZGQT-QMMMGPOBSA-N 451.430 6.472 50 10 JKGE CC(C)(CBr)N(Cc1ccccc1)C(=O)c1c(Cl)cccc1Br 1980599961 PEGXWICSXVTXPF-UHFFFAOYSA-N 459.609 5.918 50 10 JKGE CCc1cc(Br)c([C@H](Br)Cc2cccc(Br)c2)s1 2029233031 OGYHUHDZNNWFTG-GFCCVEGCSA-N 453.037 6.514 50 10 JKGE COc1ccc(F)cc1[C@H](Br)c1csc(Br)c1Br 2032958724 KYHZZAKHKNJEEM-JTQLQIEISA-N 458.972 5.905 50 10 JKGE Cc1csc([C@@H](Br)[C@H](C)c2ccncc2Br)c1Br 2039335466 DKRCGPZZSQUOBD-PELKAZGASA-N 454.025 6.216 50 10 JKGE BrCc1cc(C2CCCCC2)nn1Cc1ccc(I)cc1 2070035551 JPTCODRUYUNSMK-UHFFFAOYSA-N 459.169 5.479 50 10 JKGE CO[C@@H]1C[C@@H]([C@@H](Br)c2cc(Br)sc2Br)C12CCC2 2070187072 ZUFQGUUKBSZSGX-NGZCFLSTSA-N 459.041 5.914 50 10 JKGE CCc1nn(C)c([C@H](Br)c2sc(Cl)cc2Br)c1Br 2072304381 KPVMAOQEBPWIPP-VIFPVBQESA-N 477.447 5.707 50 10 JKGE BrCc1cc(Br)ccc1N1CCC[C@@H]1[C@@H]1CCN(Cc2ccccc2)C1 2089000653 ODHAINQEPAJPAK-WIYYLYMNSA-N 478.272 5.835 50 10 JKGE Fc1cc(Cl)c(Br)cc1[C@H](Cl)c1cc(Br)cc(Br)c1 2097834095 IIKMQYQGJFCLBH-CYBMUJFWSA-N 491.807 7.095 50 10 JKGE COc1ccc([C@H](Br)c2c(Cl)cccc2Br)cc1Br 2113159249 PYOFRTNAJDUYPI-AWEZNQCLSA-N 469.398 6.358 50 10 JKGE Fc1c(Cl)ccc(Br)c1C[C@H](Br)c1cccc(Br)c1 2113493954 USVZQXQOHXZSGL-LBPRGKRZSA-N 471.389 6.683 50 10 JKGE COc1cc(C)c(Br)cc1[C@@H](Br)c1cc(Br)c(Cl)s1 2115943312 UZAPHWUCYFDIQA-GFCCVEGCSA-N 489.454 6.728 50 10 JKGE Cc1cc(Cl)c(Br)cc1[C@@H](Cl)c1ccc(Br)cc1Br 2137656783 QHGXZTCDSYXNHK-AWEZNQCLSA-N 487.844 7.264 50 10 JKGE Cl[C@H](c1cc(Br)cc(Br)c1)c1cc(Br)c2c(c1)CCO2 2146620563 LMIWPNRKQILRAH-AWEZNQCLSA-N 481.409 6.237 50 10 JKGE Cc1c(CBr)cccc1S(=O)(=O)N(Cc1ccccc1)[C@@H](C)c1cccs1 2179775106 JSEKTJJOMZNBFP-KRWDZBQOSA-N 464.450 5.904 50 10 JKGE COc1cc(Cl)c([C@@H](Br)c2cc(F)ccc2Br)cc1Br 2202354580 YRKQDYHOVYSHLO-AWEZNQCLSA-N 487.388 6.497 50 10 JKGE COc1cc(F)c([C@H](Br)c2c(F)cccc2Br)cc1Br 2202903976 LGVZHMLVBGGADQ-AWEZNQCLSA-N 470.933 5.983 50 10 JKGE CCC[C@H]1CN(C(=O)c2cc(Br)ccc2Br)C[C@H]1CBr 2205703169 MELKCJQBCBMSRN-WDEREUQCSA-N 468.027 5.095 50 10 JKGE Cc1sc([C@@H](Br)c2sc(Cl)cc2Br)cc1Br 2210613507 BMWDZFWVSIGCLK-SECBINFHSA-N 465.457 6.781 50 10 JKGE Cc1cc(C)c([C@@H](Br)c2c(Br)sc(Br)c2Cl)s1 2213681518 HVFMBEQGMNVYHF-ZETCQYMHSA-N 479.484 7.089 50 10 JKGE Cc1cc(Br)c([C@@H](Cl)c2csc(Br)c2)c(C)c1Br 2220151012 FEZQNKWVGKNQGM-ZDUSSCGKSA-N 473.455 6.981 50 10 JKGE CO[C@@H]1CC[C@@H]1C[C@H](Br)c1c(Br)cc(Cl)c(Cl)c1Cl 2224306393 CEJFOZQHBXXDDL-MATHAZKKSA-N 451.413 6.660 50 10 JKGE CC(C)(CC(F)F)[C@H](Br)c1c(Br)cc(Cl)c(Cl)c1Cl 2224311569 MTOCTCLRAHBEFF-LLVKDONJSA-N 459.383 7.527 50 10 JKGE C[C@H]1[C@@H](n2c(CCl)nc3cc(Br)c(Br)cc32)CCN1Cc1ccccc1 2225702044 NUQATRJZVFYGDR-UGSOOPFHSA-N 497.662 6.136 50 10 JKGE Fc1cccc(C(CBr)(CBr)Cc2ncsc2Br)c1 2226133331 IYSXXMMBDGJSPV-UHFFFAOYSA-N 472.015 5.315 50 10 JKGE CCCC1CC([C@@H](Br)c2c(Br)cc(C)c(Br)c2C)C1 2227346147 BYRSBYVRUCFRSJ-ZEPSKSRBSA-N 453.056 7.091 50 10 JKGE Cc1cc(Br)c([C@H](Br)C[C@@H]2CC[C@H](C)O2)c(C)c1Br 2227352809 QXQHTKFSJNKNHV-XHVZSJERSA-N 455.028 6.222 50 10 JKGE COc1ccc([C@@H](Br)c2c(Br)cc(C)c(Br)c2C)s1 2227368937 MKTUFFCLOYDGLB-CQSZACIVSA-N 469.036 6.383 50 10 JKGE Cc1ccc([C@@H](C)[C@H](Br)c2sc(Br)c(C)c2Br)cc1 2232081425 JCNGLXSBAWVKPA-SKDRFNHKSA-N 467.064 7.130 50 10 JKGE CC1(C)C[C@@H](C[C@@H](Br)c2c(Br)cc(Cl)c(Cl)c2Cl)CO1 2232511857 LTJWKKHKILGITC-HTQZYQBOSA-N 465.440 7.051 50 10 JKGE COc1cc(F)c(F)cc1[C@H](Br)c1ccc(C)c(I)c1 2232835528 UNHZTYHTLXBYEB-OAHLLOKOSA-N 453.064 5.371 50 10 JKGE Cc1c(Br)csc1[C@H](Br)c1cc2nc(O)[nH]c2cc1Br 2234518056 SHBNQSSACVSMHO-LLVKDONJSA-N 481.007 5.648 50 10 JKGE COc1cc(F)c(Br)cc1[C@H](Br)c1sc(C)c(C)c1Br 2237629977 PCPSNWVISKSFLT-ZDUSSCGKSA-N 487.026 6.522 50 10 JKGE COCC12CCC([C@H](Br)c3sc(Br)cc3Br)(CC1)CO2 2237696770 YZBRRDSFBHILSP-IYXRBSQSSA-N 489.067 5.685 50 10 JKGE Clc1ccc([C@H](Br)c2ccc3c(c2Br)CCO3)c(Br)c1 2238083348 XNSVJZGTEQUOBA-AWEZNQCLSA-N 481.409 6.284 50 10 JKGE O=C(c1ccc(Cl)c(I)c1)N(Cc1ccccc1)[C@@H](CCl)C1CC1 2248257103 GRJQECLIHKGHIR-SFHVURJKSA-N 474.169 5.604 50 10 JKGE Cn1nc([C@@H](Br)c2cc3sc(Br)cc3s2)cc1Br 2263634494 QBIOPMSGKGGLBL-LLVKDONJSA-N 471.037 5.706 50 10 JKGE Cc1sc(Br)c([C@@H](Cl)c2cc3sc(Br)cc3s2)c1C 2278107593 QERYWTDXTFKNJS-LBPRGKRZSA-N 456.677 7.494 50 10 JKGE COc1c([C@@H](Br)c2c(C)c(Br)cc(C)c2Br)csc1C 2287319669 JFPIDBULRQTVJB-CQSZACIVSA-N 483.063 6.691 50 10 JKGE CC(C)(C)CCN(CCBr)C(=O)c1ccc(I)c(Cl)c1 2289887102 FCOPNDLLXVEIDL-UHFFFAOYSA-N 472.592 5.218 50 10 JKGE COc1ccccc1C=CC=NNC(=O)CSc1nc2ccccc2n1Cc1ccccc1 2293287897 LXUCPBVDTUEIEM-UHFFFAOYSA-N 456.571 5.001 50 10 JKGE CCOc1cccc(NC(=O)C(C#N)=Cc2ccc(OCc3ccc(Cl)cc3Cl)c(OC)c2)c1 2294193356 IFWJPQYUHXEEJP-UHFFFAOYSA-N 497.378 6.525 50 10 JKGE Cc1c(F)ccc([C@H](Br)Cc2cc(Br)cc(Br)c2)c1C 2295279158 KUQWIVDTZRJLSK-OAHLLOKOSA-N 464.998 6.646 50 10 JKGE COc1ccc(C[C@H]2SC(=C(C#N)C(=O)Nc3ccc(Cl)cc3)N(c3ccccc3)C2=O)cc1 2296507057 REEQEGFJEMWWAH-HSZRJFAPSA-N 489.984 5.414 50 10 JKGE COc1ccc(-c2csc(C(C#N)=Cc3ccc(OCc4ccccc4)c(OC)c3)n2)cc1OC 2296790219 XKIPYLRNKAXCSY-UHFFFAOYSA-N 484.577 6.479 50 10 JKGE N#CC(=Cc1ccc(-c2ccc(Cl)cc2)o1)C(=O)Nc1ncc(Cc2cccc(Cl)c2)s1 2296819053 OUIOQFHQFYYIAE-UHFFFAOYSA-N 480.376 6.846 50 10 JKGE CC[C@@]1([C@H](Br)c2ccc(OCc3ccccc3)cc2Br)CCCO1 2299508269 IYVNZDFUGCOZPU-UXHICEINSA-N 454.202 6.423 50 10 JKGE Brc1cc(OCc2ccccc2)ccc1[C@H](Br)[C@H]1CCCOCC1 2299535206 MNJHEFXJDQPLPY-OXJNMPFZSA-N 454.202 6.281 50 10 JKGE Cc1c(Cl)sc(Cl)c1[C@H](Br)c1cccc(I)c1 2299542380 IMNWIPVMYVJRSG-SNVBAGLBSA-N 461.977 6.452 50 10 JKGE CC(C)[C@@H](CBr)COCc1cc(I)ccc1Br 2302646015 FXKVUSXVLTWVLH-NSHDSACASA-N 475.990 5.237 50 10 JKGE N#CC(=Cc1ccc(OCc2ccccc2C#N)c(Br)c1)C(=O)NC1CCCCC1 2313511261 WTAYRFVWKLPYQR-UHFFFAOYSA-N 464.363 5.256 50 10 JKGE Cc1cccc(NC(=O)Cn2cc(C=C(C#N)c3nc(O)c4ccccc4n3)c(-c3ccccc3)n2)c1 2314433984 ZCFALBZSYDRDNS-UHFFFAOYSA-N 486.535 5.210 50 10 JKGE Cc1cc(C)cc(Oc2nc3c(C)cccn3c(=O)c2C=C(C#N)C(=O)Nc2ccc(F)cc2)c1 2314533979 VSJWGRYLJMEBPL-UHFFFAOYSA-N 468.488 5.097 50 10 JKGE N#CC(=Cc1ccc(-c2cccc(F)c2)o1)c1nc(-c2ccc(Br)cc2)cs1 2314571775 LTIHGVJUVFCCTF-UHFFFAOYSA-N 451.320 7.036 50 10 JKGE CC1=C(C#N)C(=O)N(Cc2ccc(C)cc2)C(=O)C1=Cc1ccc(OCc2ccccc2Cl)cc1 2314617473 YWUQLFIAMZDETO-UHFFFAOYSA-N 482.967 6.020 50 10 JKGE N#CC1=C(N)Oc2cc(OC(=O)C=Cc3ccccc3Cl)ccc2[C@@H]1c1ccc(Cl)cc1 2314634017 BVKSQBIMWXADSP-DEOSSOPVSA-N 463.320 5.830 50 10 JKGE Brc1sncc1[C@H](Br)c1csc2c(Br)cccc12 2315624983 HLCSYSMKGVEBFU-JTQLQIEISA-N 468.033 6.367 50 10 JKGE Clc1cc(I)c([C@@H](Br)[C@@H]2Cc3ccccc3O2)s1 2316598966 KIOFWWKTIDXOJK-JQWIXIFHSA-N 455.542 5.446 50 10 JKGE COc1ccc(C(C#N)=Cc2cccc(OC(=O)C=Cc3ccc(C(C)C)cc3)c2)cc1OC 2320510967 HACXQUVSXWSDJN-UHFFFAOYSA-N 453.538 6.510 50 10 JKGE O=C(NN=Cc1ccc(Cl)c(Cl)c1)c1cc(-c2ccccc2)nc(N2CCCCC2)n1 2323758762 ZRLPWWQDDWQBQP-UHFFFAOYSA-N 454.361 5.205 50 10 JKGE Cc1cccc(C(=O)c2cc(C#N)ccc2NC(=O)C(C#N)=Cc2ccc(Br)cc2)c1 2329661994 QVAUKHZSKUZYLS-UHFFFAOYSA-N 470.326 5.406 50 10 JKGE CCOc1ccc(C=CC(O)=C(C#N)c2nc(-c3ccc(OC)c(OC)c3)cs2)cc1OC 2331242628 VLORGAUXMMIPIM-UHFFFAOYSA-N 464.543 5.741 50 10 JKGE COc1ccc(Cl)cc1C(O)=C(C#N)c1nc(-c2cc(C(C)C)c(OC)cc2C)cs1 2331353905 KPYNFHZGSZXLPZ-UHFFFAOYSA-N 454.979 6.862 50 10 JKGE CCCCOc1ccc(C(O)=C(C#N)c2nc(-c3c(C)c(C)cc(C)c3C)cs2)cc1OCC 2331366288 JOMIIHCYSHHWNA-UHFFFAOYSA-N 476.642 7.571 50 10 JKGE Cc1cc(C)c(-c2csc(C(C#N)=C(O)CCCCCNC(=O)c3ccccc3)n2)c(C)c1 2331394432 HWXCNOXJKCYSFZ-UHFFFAOYSA-N 459.615 6.518 50 10 JKGE Brc1cc(OCc2ccccc2)ccc1[C@H](Br)c1ccc2c(c1)CCO2 2336084348 SMTGFOGNOADROV-JOCHJYFZSA-N 474.192 6.447 50 10 JKGE CC[C@@H](C(C)C)[C@H](Br)c1c(C)cc(Br)c(OC)c1Br 2339657568 ZFGPZJFTYMAGTC-GWCFXTLKSA-N 457.044 6.647 50 10 JKGE Cc1cc(Br)c(F)c(Br)c1[C@@H](Br)C[C@@H]1CCC1(F)F 2339690176 SPOXCSJZOUDENK-YUMQZZPRSA-N 464.945 6.531 50 10 JKGE Brc1cc(OCc2ccccc2)ccc1[C@H](Br)[C@H]1C[C@H]1C1CCCCCC1 2361200659 LNIMGOVUDOWDSM-FIXSFTCYSA-N 492.295 8.071 50 10 JKGE COc1ccc([C@@H](Br)c2cc(Br)ccc2OCc2ccccc2)cc1OC 2361210684 RYVGQZYMVUEYSE-JOCHJYFZSA-N 492.207 6.530 50 10 JKGE Clc1ccc(CN2CC3(CCC3)CC[C@H]2CBr)cc1I 2362381326 WLKNQMNPOOAALO-ZDUSSCGKSA-N 468.604 5.474 50 10 JKGE Cc1cc(Br)c(C)c([C@@H](Cl)c2c(Br)nc(C)n2C)c1Br 2362440715 FEWSYNSDFFKNML-GFCCVEGCSA-N 485.445 5.961 50 10 JKGE FC(F)(F)CCCCCO[C@H](CI)c1cccc(Br)c1 2362733457 XZRAEFDPCQHNIZ-CYBMUJFWSA-N 465.091 6.065 50 10 JKGE COc1c(Br)cc(C)c([C@H](Br)[C@@H]2C[C@H]3C[C@@H]3CO2)c1Br 2365190962 JYJVIRXAPGAMEW-MBJVOQIVSA-N 469.011 5.390 50 10 JKGE COc1c(Br)cc(C)c([C@H](Br)[C@@H]2C[C@@H]2C(F)(F)F)c1Br 2365191176 LUDWBIUCKIWYFD-MATHAZKKSA-N 480.944 6.163 50 10 JKGE CCn1ncc(Br)c1[C@H](Cl)c1c(C)cc(Br)c(F)c1Br 2365192986 FODRUVIUIVBMOQ-LLVKDONJSA-N 489.408 5.966 50 10 JKGE COc1cc([C@@H](Br)c2c(Br)cc(F)c(Cl)c2F)sc1Cl 2365838768 RYWQWJCUPZCGTP-SECBINFHSA-N 466.956 6.589 50 10 JKGE Cc1ccc(CBr)c(OCc2c(Br)c(C)nn2C)c1Br 2380659139 LDYHVAMBDRCDHG-UHFFFAOYSA-N 466.999 5.036 50 10 JKGE CC(C)c1ccc(OCC(=O)N/N=C/c2c3ccccc3cc3ccccc23)c(Br)c1 12580094 FHPQBIPFSDOLAQ-RWPZCVJISA-N 475.386 6.408 50 10 JKGE O=C(NNC(=O)N1c2ccccc2Sc2ccccc21)c1sc2ccccc2c1Cl 13988839 YDFDPCFSCQVVHE-UHFFFAOYSA-N 451.960 6.212 50 10 JKGE Cc1ccc(-n2c(CCC(=O)N/N=C/c3ccc(N(C)C)cc3)ccc2-c2ccccc2)cc1 20394269 CPSOYTVGSHPXTR-MWAVMZGNSA-N 450.586 5.602 50 10 JKGE Cc1ccc(N[C@@H](C)C(=O)NN=Cc2ccccc2OCc2cccc(Br)c2)cc1 27528147 VLZVNUNIEHZPGP-SFHVURJKSA-N 466.379 5.287 50 10 JKGE N#C/C(=C/c1ccc(N2CCC(Cc3ccccc3)CC2)c([N+](=O)[O-])c1)c1nc2ccccc2[nH]1 33403688 YGKSCOZNDWVDCK-QJOMJCCJSA-N 463.541 5.994 50 10 JKGE N#C/C(=C/c1cc(Br)ccc1OCc1ccccc1)c1nn(-c2ccccc2)c(N)c1C#N 33921872 IXOOXMWLHVGCSB-MOSHPQCFSA-N 496.368 5.732 50 10 JKGE COc1ccc(NC(=O)/C(C#N)=C\c2cn(Cc3ccccc3)nc2-c2ccccc2)c(OC)c1 35003861 PZXKRESDUWMFJQ-JCMHNJIXSA-N 464.525 5.161 50 10 JKGE C=CCN1C(=O)C(C#N)=C(C)/C(=C\c2cn(-c3ccccc3)nc2-c2ccc(OC(C)C)c(C)c2)C1=O 38607638 OYPFFWOXDAZXPC-PCLIKHOPSA-N 492.579 5.413 50 10 JKGE CC(C)(C)c1ccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4cccc5ccccc45)ccc32)cc1 38649813 RREKMZLLXPIYCM-MUUNZHRXSA-N 474.560 6.575 50 10 JKGE O=C(CCCc1c(-c2ccc3ccccc3n2)[nH]c2ccc(Cl)cc12)NNc1ccccc1 39867430 AGSXVWSYZLEINX-UHFFFAOYSA-N 454.961 6.503 50 10 JKGE O=C(CC[C@H](O)c1ccccc1)N/N=C\c1cc(Br)ccc1OCc1ccccc1F 58892484 MLWNHTLNZXXBSY-CHVMBPBASA-N 485.353 5.131 50 10 JKGE N#C/C(=C/c1ccc(OCc2cccc3ccccc23)cc1)C(=O)Nc1cccc(Cl)c1Cl 59336149 MEGFSXJSUACQSF-QNGOZBTKSA-N 473.359 7.271 50 10 JKGE CCOc1cc(/C=N\NC(=O)c2ccc(Br)cc2)ccc1OCc1ccccc1 59418951 PXDXEEDTGLQVTQ-MYYYXRDXSA-N 453.336 5.191 50 10 JKGE CCCCCCCCCCCCCCCC(=O)Oc1ccc(N(CCCl)CCCl)cc1 95785933 ASWIRJBYPSASDU-UHFFFAOYSA-N 472.541 8.357 50 10 JKGE Cc1[nH]c2ccccc2c1C(=O)/C(C#N)=C\c1cccc(/C=C(\C#N)C(=O)c2c(C)[nH]c3ccccc23)c1 96791972 SCGGXEJSXVPNAO-REPVBDINSA-N 494.554 6.846 50 10 JKGE Cc1ccc([C@@H](Br)c2cc(Cl)c(Br)cc2F)c(Br)c1 97895674 PCRRWNBQOPTKCW-CQSZACIVSA-N 471.389 6.797 50 10 JKGE COc1ccc([C@H](Br)c2ccccc2I)c2ccccc12 109838768 KBHKXNRZHMYWGZ-SFHVURJKSA-N 453.117 5.937 50 10 JKGE Brc1ccc(Br)c([C@H](Br)[C@@H]2CCCc3ccccc32)c1 109844861 ZHKWZDPNPOOKHL-RHSMWYFYSA-N 459.019 6.768 50 10 JKGE COc1ccc(Br)cc1C[C@H](CBr)c1ccccc1Br 118867762 HKBQLBOCANVBTE-GFCCVEGCSA-N 463.007 5.941 50 10 JKGE Cc1ncsc1CCC(CBr)(CBr)c1ccccc1Br 118878985 KKZHYWHYVLMOJK-UHFFFAOYSA-N 482.079 5.874 50 10 JKGE CCOc1ccc([C@@H](Br)c2cc(Br)ccc2Cl)c(Br)c1 123724687 OOIULFOELWLKBA-OAHLLOKOSA-N 483.425 6.748 50 10 JKGE Cc1ccc([C@H](Br)c2ccc(Br)c3ccccc23)cc1Br 130486265 ITSUNRYQZALLAY-SFHVURJKSA-N 469.014 7.158 50 10 JKGE ClCc1nc2cc(I)ccc2n1Cc1sccc1Br 148436122 JZSWBIQQLBKHPG-UHFFFAOYSA-N 467.557 5.252 50 10 JKGE Cl[C@@H](c1cc(Br)ccc1Br)c1csc2c(Br)cccc12 161116274 GKUNQRHQUKRNPL-AWEZNQCLSA-N 495.461 7.517 50 10 JKGE COc1ccc(N(C(=O)CCl)[C@H](C(=O)N[C@@H]2CCCC[C@@H]2C)c2ccc(Cl)cc2)c(OC)c1 169703936 LVEFNMRRDZWWRR-GANZUKCXSA-N 493.431 5.365 50 10 JKGE CCCOc1c(Cl)cc(/C=C(/C#N)c2nc(-c3ccc(Cl)cc3)cs2)cc1OCC 169939231 LJIQDMVLYUSBCN-YVLHZVERSA-N 459.398 7.369 50 10 JKGE CCCCCCCCCOc1ccc(/C=N\NC(=O)Nc2ccc(Cl)cc2)cc1Cl 169939894 LLESQIDTCISFKY-ONUIUJJFSA-N 450.410 7.278 50 10 JKGE CC(C)(C)C[C@@H](Br)CNC(=O)c1cc(Br)ccc1Br 226225975 OBIAYQNMKOQMKR-SNVBAGLBSA-N 456.016 5.141 50 10 JKGE CCCC[C@@H](CC)COc1c(Br)cc(CBr)cc1Br 232980635 UEUVDSIVKBJILW-LLVKDONJSA-N 457.044 6.702 50 10 JKGE CCCc1ccc([C@@H](Br)c2cc(I)ccc2Br)cc1 233380006 PUSBTYKVFQVKOT-MRXNPFEDSA-N 494.008 6.491 50 10 JKGE COCCOc1ccc([C@H](Br)c2ccoc2Br)cc1Br 234658958 SCGUBOWNKDSAMB-ZDUSSCGKSA-N 468.967 5.314 50 10 JKGE COc1cc(C[C@@H](Br)C(=O)C(C)(C)C)c(Br)cc1Br 234893800 TXFOODNSUUQAKN-LLVKDONJSA-N 457.000 5.141 50 10 JKGE Cc1ccc([C@H](Br)c2cc(Br)sc2Br)c2ccccc12 235909261 ITHVTXXOQQBELD-HNNXBMFYSA-N 475.043 7.219 50 10 JKGE Clc1ccsc1[C@@H](Br)c1cc(I)ccc1Br 236052622 YSUPXUCNNUWTBG-JTQLQIEISA-N 492.401 6.253 50 10 JKGE Cc1ccc(C=NNC(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)cc1 252629486 UHBSTFSCOKJDGJ-UHFFFAOYSA-N 480.224 5.184 50 10 JKGE aggregator CCOc1ccc(C(=O)Oc2ccc3ccccc3c2C=NNC(=O)COc2ccc(F)cc2)cc1 254481890 ROOFNVSWURWNEB-UHFFFAOYSA-N 486.499 5.126 50 10 JKGE FC(F)(F)c1csc([C@@H](Br)c2cccc(Br)c2)c1Br 311661566 JZLBRSHAULWCKU-VIFPVBQESA-N 478.953 6.776 50 10 JKGE Brc1cc2c(c([C@@H](Br)c3cccc(OCc4ccccc4)c3)c1)OCC2 311930929 GIEPHLBYJBORCF-NRFANRHFSA-N 474.192 6.447 50 10 JKGE Brc1cccc2c([C@H](Br)c3cccc(OCc4ccccc4)c3)csc12 312092004 ZYOADQQNSVXKBD-OAQYLSRUSA-N 488.244 7.727 50 10 JKGE C[C@H](C[C@H](Br)c1cc(I)cc2c1OCC2)CC(C)(C)C 383265807 CGCQLGQRJWYJJN-ABAIWWIYSA-N 451.186 6.125 50 10 JKGE ClCCc1nc2cccc(Cl)c2n1CCCN(Cc1ccccc1)Cc1ccccc1 390514416 DCZHXKSINPUOJT-UHFFFAOYSA-N 452.429 6.564 50 10 JKGE Brc1cc([C@H](Br)c2nscc2Br)c(Br)s1 404696541 AYOCSHJQESHNQO-LURJTMIESA-N 496.869 5.976 50 10 JKGE CC(C)(C)OC(=O)Nc1cccc([C@@H]2CN(CCO[Si](C)(C)C(C)(C)C)CCCO2)c1 616681650 RGYRPKJVTAQHPA-NRFANRHFSA-N 450.696 5.819 50 10 JKGE Fc1cccc([C@H](Br)c2ccc(F)c(Br)c2F)c1Br 691634097 HNKOFDUHCVIERO-JTQLQIEISA-N 458.897 6.113 50 10 JKGE CN(Cc1ccccc1)C(C)(C)Cn1c(CCCl)nc2cc(Br)c(F)cc21 714233461 QHVSUHWKCZEHGA-UHFFFAOYSA-N 452.799 5.630 50 10 JKGE CN(C[C@@H]1CCCCN1Cc1ccccc1)c1ccc(CBr)cc1Br 720017484 WOIHSXISZLCGBZ-IBGZPJMESA-N 466.261 5.835 50 10 JKGE COc1ccc([C@@H](Br)c2ccc(I)c(Br)c2)cc1 721595246 UWRQVAAVRHVKBZ-CQSZACIVSA-N 481.953 5.547 50 10 JKGE CCOc1ccc([C@H](O)CCC(=O)NN=Cc2ccc(-c3cccc(Br)c3)o2)cc1 725409824 KDEQHSCUPOFPCO-OAQYLSRUSA-N 471.351 5.072 50 10 JKGE CCCCCCCCOc1ccc(C(=O)NN=Cc2ccc(N(C)c3ccccc3)cc2)cc1 1081098259 NBTIBJPXIUDHSB-UHFFFAOYSA-N 457.618 6.958 50 10 JKGE Cc1cc(Br)ccc1-c1ccc(/C=C(/C#N)C(=O)Nc2ccc(Br)cc2)o1 1084137891 GSBVNQWWQZDAQH-KAMYIIQDSA-N 486.163 6.326 50 10 JKGE Cc1cc(-n2c(C)cc(C=NNC(=O)c3cc4ccccc4o3)c2C)ccc1Br 1084313387 PPZNSTFCUWKJNE-UHFFFAOYSA-N 450.336 5.675 50 10 JKGE CCCCC(=NNC(=O)COc1c(C)cc(Br)cc1Br)c1ccccc1 1084366076 LAWLAHAPHYADNX-UHFFFAOYSA-N 482.216 5.610 50 10 JKGE C=CCOc1ccc(Br)cc1C=NNC(=O)c1ccc(OCc2ccccc2)cc1 1084527101 JVIIOURDGGGZEH-UHFFFAOYSA-N 465.347 5.357 50 10 JKGE CC(=NNC(=O)c1ccc(CSc2ccccc2)cc1)c1ccc(I)cc1 1084594932 UBCCUUWTKSGJPU-UHFFFAOYSA-N 486.378 5.738 50 10 JKGE COc1cccc(C(=O)NN=C2CCCc3oc(C(=O)Oc4cccc5ccc(C)nc45)c(C)c32)c1 1772746283 DFOCORRLXALQNB-UHFFFAOYSA-N 483.524 5.143 50 10 JKGE CCc1ccc(OCC(=O)NN=Cc2ccc(OCc3ccccc3Cl)c(OC)c2)cc1 1772752910 XMRVPRQMUSXQRC-UHFFFAOYSA-N 452.938 5.019 50 10 JKGE CCOc1cc([C@@H]2C(C#N)=C(N)Oc3c2c(C)nn3-c2ccccc2)ccc1OCc1ccc(C)cc1 1865689338 QAOGEKBHCVKUSZ-MUUNZHRXSA-N 492.579 5.685 50 10 JKGE CCCCCCOc1ccc([C@@H]2C(C#N)=C(N)Oc3c2c(-c2ccccc2)nn3CCC)cc1OC 1865696894 TUSNXOIFYGFPHT-RUZDIDTESA-N 486.616 6.146 50 10 JKGE Cc1nn(-c2cccc3ccccc23)c2c1[C@@H](c1cc(Br)ccc1O)C(C#N)=C(N)O2 1865697249 YIXPFSUVTXMBTL-QFIPXVFZSA-N 473.330 5.020 50 10 JKGE N#CC1=C(N)Oc2c(c(C(F)(F)F)nn2-c2cccc(Cl)c2)[C@H]1c1ccc(F)cc1F 1865702718 ZZKRBDMIYBICKM-HNNXBMFYSA-N 452.770 5.041 50 10 JKGE CCCc1nn(Cc2cc(C)ccc2C)c2c1[C@H](c1cc(Cl)c(O)c(OC)c1)C(C#N)=C(N)O2 1865707502 YCMFUFSUVQTXNU-JOCHJYFZSA-N 478.980 5.087 50 10 JKGE CCc1nc(Nc2ccc(SC#N)cc2)cc(N2CCC[C@H](CS(=O)(=O)c3ccccc3)C2)n1 1868278271 YJFQUQZNLJJDKT-IBGZPJMESA-N 493.658 5.046 50 10 JKGE Cc1ccccc1OCCC/C(O)=C(\C#N)c1nc(-c2ccc(Br)cc2)cs1 1872746342 CPJLZROFPZHATA-ZZEZOPTASA-N 455.377 6.533 50 10 JKGE CCCc1ccc(OC/C(O)=C(\C#N)c2nc(-c3cc(Cl)cc(Cl)c3OC)cs2)cc1 1872754302 MDVAPMGFMFQHGH-UZYVYHOESA-N 475.397 6.950 50 10 JKGE COc1cc(Cl)c(C)cc1-c1csc(/C(C#N)=C(\O)Cc2ccc(OC(C)C)cc2)n1 1872755149 AHZZUADKHMEHHA-QOCHGBHMSA-N 454.979 6.603 50 10 JKGE COc1ccc(/C=C/C(O)=C(\C#N)c2nc(-c3cc(Cl)c(OC)c(Cl)c3)cs2)cc1 1872755945 NCBMCOPPUPQARJ-ZKVDAEGBSA-N 459.354 6.640 50 10 JKGE COc1c(C)cc(Cl)cc1-c1csc(/C(C#N)=C(\O)[C@H](C)Oc2ccc(Cl)cc2Cl)n1 1872757142 SCBHSVGKKNHJRZ-ZNASEZLDSA-N 495.815 7.348 50 10 JKGE COc1cc(/C=C(\C#N)c2nc(-c3cc(C)c(Cl)cc3OC)cs2)ccc1OC(C)C 1872794136 LOLJBGALLIOIQU-RQZCQDPDSA-N 454.979 6.641 50 10 JKGE CCCCCOc1ccc(/C=C(\C#N)c2nc(-c3ccc(OC)c(OC)c3OC)cs2)cc1OC 1872795103 NGOOTTGSPFWKJU-XMHGGMMESA-N 494.613 6.478 50 10 JKGE Clc1ccc(C[C@@H](Br)c2cc(Br)ccc2Br)nc1 1918238727 HNMGXJMTZYPOLG-CYBMUJFWSA-N 454.387 5.939 50 10 JKGE Cl[C@H](c1csc(I)c1)c1sc(Br)cc1Br 1922921258 PBPFWWMOWAOOPY-MRVPVSSYSA-N 498.430 6.267 50 10 JKGE Clc1c(Br)sc(Br)c1[C@H](Br)[C@@H]1CC[C@H]2C[C@@H]2C1 1923050485 VXZASGJAMYQGFX-YYWONIAYSA-N 463.460 6.799 50 10 JKGE Clc1c(Br)sc(Br)c1[C@@H](Br)[C@H]1CCCC12CC2 1923061691 MHYOHXRVIKEKDD-SVRRBLITSA-N 463.460 6.943 50 10 JKGE C[C@@H]1[C@@H]([C@@H](Br)c2c(Br)sc(Br)c2Cl)C1(F)F 1923073899 CUGXOEFJFALOLF-ZBCLXGQLSA-N 459.375 6.264 50 10 JKGE CC1CC(C)([C@@H](Cl)c2c(Br)sc(Br)c2Br)C1 1924617003 WCNTYACVDKLNQN-QHCBANEHSA-N 451.449 6.752 50 10 JKGE Brc1cc([C@H](Br)c2csnc2Br)cc2c1OCC2 1925269975 JKPRZDODTWCHND-JTQLQIEISA-N 453.981 5.087 50 10 JKGE CN(CCN(Cc1ccccc1)c1nc(Cl)c(CBr)s1)Cc1ccccc1 1934278671 TXMYAMXSPRCQHE-UHFFFAOYSA-N 464.860 5.830 50 10 JKGE Brc1cc([C@H](Br)C2(Br)CC2)c(Br)s1 1953929955 XYNWEOPXNYAVJO-LURJTMIESA-N 453.819 5.637 50 10 JKGE Br[C@H]1C[C@H](CNCc2ccc(OCc3ccccc3)c(OCc3ccccc3)c2)C1 1991508247 IBRHEVCJVDIABY-RQNOJGIXSA-N 466.419 6.108 50 10 JKGE CC(C)(C)OC(=O)NCCSSCCNc1cc(Cl)c(Br)cc1N 2010825906 SRZRFHKRRBKKGX-UHFFFAOYSA-N 456.859 5.003 50 10 JKGE Fc1cc(Cl)c(Br)cc1[C@@H](Cl)c1cc(Br)c(Br)s1 2036574791 BKJVQDQDSBFGGD-SNVBAGLBSA-N 497.836 7.156 50 10 JKGE CN(c1cc(Br)ccc1CBr)[C@H]1CN(Cc2ccccc2)C(C)(C)C1 2037332008 NEGGGQFUWVKBNL-LJQANCHMSA-N 466.261 5.833 50 10 JKGE CCc1sc(Br)cc1[C@H](Cl)c1cc(I)ccc1F 2050462035 AJSUVXGSYMNQDG-CYBMUJFWSA-N 459.549 6.145 50 10 JKGE Cc1cc([C@@H](Br)Cc2ccc(Br)cc2)ccc1I 2086023765 PACKBHMDSFVNIW-AWEZNQCLSA-N 479.981 6.041 50 10 JKGE C[C@@H](CBr)[C@@H]1CCCCN1Cc1cccc(Br)c1Br 2092329358 VPBBSOAYKRTLQX-FZMZJTMJSA-N 454.044 5.597 50 10 JKGE O=C(c1csc(Br)c1Br)N1CC[C@H]2CC[C@@H](Br)[C@H]1C2 2093944408 JWAOHPQTQVWFTL-SZEHBUNVSA-N 472.040 5.051 50 10 JKGE Cc1cc([C@H](Br)c2c(Br)cccc2Br)c(F)cc1F 2094091727 XFEVXKXSKCPTDF-AWEZNQCLSA-N 454.934 6.283 50 10 JKGE FC1(F)[C@@H]2CC(Oc3c(Br)cc(Br)cc3CBr)C[C@H]21 2107517431 HPHAICWQASUILR-NXEZZACHSA-N 460.938 5.529 50 10 JKGE CC(C)(C)[C@@H](C[C@@H](Cl)c1c(Br)sc(Br)c1Cl)C(F)F 2111375041 UONKKDVKEKFYHI-NTSWFWBYSA-N 459.021 7.524 50 10 JKGE Cc1cc(Br)c(CBr)c(N2C[C@H]3CCN(Cc4ccccc4)C[C@@H]3C2)c1 2116806814 UATOLSYUBRZYNX-RTBURBONSA-N 478.272 5.611 50 10 JKGE CC1(C)C[C@@](C)(CBr)CN1C(=O)c1scc(Br)c1Br 2134827370 CJDJOHVCMDERSB-ZDUSSCGKSA-N 474.056 5.299 50 10 JKGE Cl[C@H](c1c(Br)sc(Br)c1Br)[C@H]1C[C@H]1C1CCCCC1 2135272812 JRRHHVJVACOALG-AUTRQRHGSA-N 491.514 7.532 50 10 JKGE Cc1c(Br)ccc([C@H](Br)[C@@]23COC[C@H]2C3(F)F)c1Br 2138871085 MCZATRFNHSDAIE-ADEWGFFLSA-N 460.938 5.238 50 10 JKGE Cc1c(Br)cccc1C[C@@H](CBr)Cc1ccc(Br)cc1 2143690342 AWKWCEMSKAPWER-AWEZNQCLSA-N 461.035 6.316 50 10 JKGE Fc1cc2nc(CCl)n([C@H]3CCOC[C@@H]3OCc3ccccc3)c2cc1Br 2146520759 JNRYKYQDHLJXCJ-HKUYNNGSSA-N 453.739 5.224 50 10 JKGE CCc1ccc([C@@H](Br)c2cccc(Br)c2Br)cc1CC 2148750070 KIIORHYBMVVVRG-MRXNPFEDSA-N 461.035 6.821 50 10 JKGE Cc1c(Br)cc(CCl)cc1S(=O)(=O)N(CCC(F)(F)F)Cc1ccccc1 2152211487 NLOWUKOGYHOZDU-UHFFFAOYSA-N 484.765 5.640 50 10 JKGE Cc1csc([C@@H](Br)c2cc(Br)cc3c2O[C@H](C)C3)c1Br 2157029996 SUHCCUZXNHCVSE-OQPBUACISA-N 481.047 6.389 50 10 JKGE CN(Cc1ccccc1)[C@@H](Cn1c(CCl)nc2cc(Br)c(Cl)cc21)C1CC1 2159862641 ACKMZWFQARQLTB-FQEVSTJZSA-N 467.238 6.102 50 10 JKGE CCOc1ccc([C@H](Br)c2c(C)nn(C)c2Br)c(Br)c1 2185749077 HZEYDJNUHZGVGY-ZDUSSCGKSA-N 466.999 5.137 50 10 JKGE O=S(=O)(c1cc(Cl)cc(CBr)c1Cl)N1CCC[C@@H](OCc2ccccc2)C1 2186388369 DLCVDFXDDDJMNL-QGZVFWFLSA-N 493.250 5.258 50 10 JKGE C[C@H](Cl)CCCc1cn(-c2c(Br)cc(Br)cc2Br)nn1 2189279765 QAEMBMDXKPXXNM-QMMMGPOBSA-N 486.433 5.505 50 10 JKGE Cc1cc(Cl)ccc1[C@@H](Br)c1c(C)c(Br)cc(C)c1Br 2201067921 BWRFBTMURAMATC-MRXNPFEDSA-N 481.453 7.275 50 10 JKGE COc1cc(Cl)c([C@H](Cl)c2cccc(C)c2I)cc1Br 2202347857 WYDPKMQUKNXQAY-CQSZACIVSA-N 485.974 6.352 50 10 JKGE Cl[C@@H](c1ccc(Br)cc1I)c1cccc2ccccc12 2207273338 UCSMGLJPEUCWCU-QGZVFWFLSA-N 457.536 6.535 50 10 JKGE Clc1cc(Br)c([C@@H](Br)C2(Br)CCC2)c(Cl)c1Cl 2212840616 YRIBXQDNHCBFGP-SNVBAGLBSA-N 486.256 7.163 50 10 JKGE Clc1cc(Cl)c(OC[C@@H]2CC2(Br)Br)c(CBr)c1 2213081376 CQQSSOIXCHBDJN-ZETCQYMHSA-N 467.810 5.773 50 10 JKGE CCc1sc(Br)cc1[C@@H](Br)c1cc(Br)c(C)s1 2213746821 PEFBDKRDDJAQCH-GFCCVEGCSA-N 459.066 6.690 50 10 JKGE ClCc1nc2cc(Br)c(Br)cc2n1C1CCN(Cc2ccccc2)CC1 2225700289 FHLPEHTUZDOURT-UHFFFAOYSA-N 497.662 6.137 50 10 JKGE Cc1sc([C@H](Cl)c2c(Br)cc(Cl)c(Cl)c2Cl)cc1Br 2226087579 FCXBCHXDGOBZFJ-NSHDSACASA-N 483.867 7.870 50 10 JKGE Cc1cc(Br)c([C@H](Cl)c2ccccc2Br)c(C)c1Br 2227350119 VPXVUNKZKVRGBW-OAHLLOKOSA-N 467.426 6.919 50 10 JKGE Cc1cc(Br)c([C@H](Cl)c2sc(C)c(C)c2Br)cc1Br 2229319481 IAPDDRAHWKHUOV-ZDUSSCGKSA-N 487.482 7.289 50 10 JKGE CC[C@@H](Br)CN(Cc1ccccc1)C(=O)c1cccc(Cl)c1Br 2243512716 SAJIEUUFTMYTJN-CQSZACIVSA-N 459.609 5.918 50 10 JKGE COc1c([C@@H](Br)c2sc(Br)cc2Br)csc1Cl 2248560841 OBYDYMPRSTWBIA-SSDOTTSWSA-N 481.456 6.481 50 10 JKGE C[C@H](Cl)CN(CCC(C)(C)C)c1ncc(I)cc1Br 2272452114 LTVFDKWVQKFWLH-JTQLQIEISA-N 459.597 5.319 50 10 JKGE COc1cc(Cl)c(Cl)cc1[C@@H](Br)c1ccc(Br)cc1Cl 2279056024 IKEQWGVHYUZMOG-AWEZNQCLSA-N 459.392 6.902 50 10 JKGE CCCCCc1ccc([C@@H](Br)c2c(F)cccc2I)s1 2282903933 LPORYQPLXZGUCU-MRXNPFEDSA-N 467.185 6.709 50 10 JKGE COc1ccc(Oc2cc(C)cc(F)c2CBr)cc1I 2283532024 VMGJQASQEUEZGC-UHFFFAOYSA-N 451.073 5.435 50 10 JKGE Fc1cc(Br)c(F)c(Br)c1[C@H](Br)CC12CCC(CC1)C2 2288481236 SRPDZSQMBCHNMQ-IXZKOCCXSA-N 472.993 6.896 50 10 JKGE Cc1ccc(N2C(=O)[C@@H](Cc3ccc(F)cc3)SC2=C(C#N)C(=O)Nc2ccccc2)cc1 2293038889 FHMGQXQEOHPENV-HSZRJFAPSA-N 457.530 5.199 50 10 JKGE COc1cc(C=C(C#N)c2ccccc2)c(Br)cc1OCc1ccc(Cl)cc1Cl 2294619951 QTOIEOXGGWLNCV-UHFFFAOYSA-N 489.196 7.408 50 10 JKGE C[C@H](Br)CN(C(=O)Cc1cc(Br)cc(Br)c1)C(C)(C)C 2295314129 UDNUGMKREMFPMK-JTQLQIEISA-N 470.043 5.165 50 10 JKGE N#CC(=Cc1cc(Cl)c(OCc2ccc([N+](=O)[O-])cc2)c(Cl)c1)c1ccc(C(=O)O)cc1 2297380627 SGGNDGLADNWLKG-UHFFFAOYSA-N 469.280 6.243 50 10 JKGE Cc1cc(NS(=O)(=O)c2ccc(NC=C(C#N)c3nc(-c4ccc(F)cc4)cs3)cc2)no1 2297482030 RCIMJXVLZLMJRL-UHFFFAOYSA-N 481.534 5.023 50 10 JKGE C=CCC(CBr)(CBr)Cc1ccc(Cl)c(I)c1 2300266781 BXFWSFBYURVDFL-UHFFFAOYSA-N 492.420 5.839 50 10 JKGE CCCc1sc(Br)cc1[C@H](Br)c1cscc1Br 2300648029 AUEFLHRSGCRSSU-LBPRGKRZSA-N 459.066 6.771 50 10 JKGE CC1(C)CC(CBr)(Cc2ccc(I)c(Br)c2)C1 2306225732 FJSOTMDZYUCGHT-UHFFFAOYSA-N 472.002 5.798 50 10 JKGE BrCC1(Cc2ccc(I)c(Br)c2)C[C@H]2C[C@@H]2C1 2306231869 NNLXFSXNYLPOIY-GHMZBOCLSA-N 469.986 5.407 50 10 JKGE C=CCc1cc(C=C(C#N)C(=O)N2CCN(c3ccccc3)CC2)ccc1OCc1ccc(C)cc1 2313567890 OYMTXWDYUIYGCU-UHFFFAOYSA-N 477.608 5.558 50 10 JKGE Cc1cc(C=C(C#N)C(=O)N2CCN(c3ccccc3)CC2)c(C)n1-c1cccc(Cl)c1Cl 2313568718 YBPPVYSPRAHZMB-UHFFFAOYSA-N 479.411 5.657 50 10 JKGE CCOc1cc(C=C(C#N)C(=O)Nc2cccc(Cl)c2Cl)ccc1OCc1ccc(F)cc1 2313571201 PQPIRVVUSCYSLU-UHFFFAOYSA-N 485.342 6.656 50 10 JKGE CCOc1cc(C=C(C#N)C(=O)Nc2cccc(Cl)c2)ccc1OCc1ccc(Cl)cc1 2313631046 JIUXPHNQLVECDE-UHFFFAOYSA-N 467.352 6.517 50 10 JKGE CCOc1cc(C=C(C#N)C(=O)Nc2ccc(Cl)cc2)ccc1OCc1ccccc1F 2313631245 MRVXBEKOFIKGTK-UHFFFAOYSA-N 450.897 6.002 50 10 JKGE N#CC(=Cc1cc(Cl)ccc1OCc1cccc(F)c1)C(=O)Nc1cccc([N+](=O)[O-])c1 2313671124 HFMGPWVVQBRODV-UHFFFAOYSA-N 451.841 5.512 50 10 JKGE Fc1cc(Cl)c(Br)c(Cl)c1[C@H](Br)c1ccc(Cl)s1 2313819576 RPBABJNHDLFXPI-SNVBAGLBSA-N 453.385 7.094 50 10 JKGE CCn1cc(Br)c([C@@H](Cl)c2ccc(OCc3ccccc3)cc2Br)n1 2314443241 GBLOTPVNNPGARB-SFHVURJKSA-N 484.619 6.335 50 10 JKGE Brc1ccc(OCc2ccccc2)c([C@H](Br)[C@H]2C[C@@H]3O[C@H]2[C@H]2C[C@@H]32)c1 2314454602 HMUGMSWDPLPRHC-QHMRTVNZSA-N 464.197 5.888 50 10 JKGE CC1=C(C#N)C(=O)N(C2CCCCC2)C(=O)C1=Cc1cn(-c2ccccc2)nc1-c1cc(C)ccc1C 2314617329 WAAJTCJPJPQTLS-UHFFFAOYSA-N 490.607 6.081 50 10 JKGE CCCCOc1ccccc1C=CC(=O)Oc1ccc(C=C(C#N)C(=O)NCc2ccco2)cc1 2314770494 CXKYASWMTCQMFR-UHFFFAOYSA-N 470.525 5.301 50 10 JKGE Clc1cc([C@@H](Br)c2cnsc2Br)c(Cl)c(Cl)c1Cl 2315622156 UKBFZUJMMPFPNW-ZCFIWIBFSA-N 470.828 7.004 50 10 JKGE ClC[C@@H](Cc1ccc(Br)cc1)Cc1sccc1I 2316736999 RYLJGDTYSGYJRP-NSHDSACASA-N 455.586 5.755 50 10 JKGE CCOc1cc(C=NNC(=O)c2ccc3nc(Cc4ccccc4)[nH]c3c2)ccc1OC(C)C 2323721417 SEVLQWMEMGRMNY-UHFFFAOYSA-N 456.546 5.104 50 10 JKGE Cc1nc(NC(=O)C(C#N)=Cc2cccc(Br)c2)sc1C(=O)OCc1ccccc1 2329698827 QYKTTZHIQHPSFF-UHFFFAOYSA-N 482.359 5.117 50 10 JKGE CCCc1ccc(OCC(O)=C(C#N)c2nc(-c3ccc(-c4ccccc4)cc3)cs2)cc1 2331231879 OMBKTLRYIIIRGW-UHFFFAOYSA-N 452.579 7.301 50 10 JKGE N#CC(=C(O)c1c(Cl)ccc(Cl)c1Cl)c1nc(-c2ccc(-c3ccccc3)cc2)cs1 2331232062 NWMQEXPCQUUFNK-UHFFFAOYSA-N 483.807 8.387 50 10 JKGE Cc1c(C(O)=C(C#N)c2nc(-c3ccc4ccccc4c3)cs2)cc([N+](=O)[O-])cc1[N+](=O)[O-] 2331239059 MOFFEOCXMKMCCJ-UHFFFAOYSA-N 458.455 6.038 50 10 JKGE COc1ccc(-c2csc(C(C#N)=C(O)COc3cc(C)c(Cl)c(C)c3)n2)cc1OC 2331242505 JFNIDDIDEZADRU-UHFFFAOYSA-N 456.951 5.969 50 10 JKGE N#CC(=C(O)CCCOc1ccc(Cl)cc1)c1nc(-c2ccc(Oc3ccccc3)cc2)cs1 2331358943 IDQBPZDOQDJVFK-UHFFFAOYSA-N 488.996 7.908 50 10 JKGE CCCCc1ccc(-c2csc(C(C#N)=Cc3ccc(OCc4ccccc4)cc3)n2)cc1 2331429464 YORVFAGXEJPMBE-UHFFFAOYSA-N 450.607 7.796 50 10 JKGE Cc1cc(-c2csc(C(C#N)=Cc3ccccc3OCc3ccccc3Cl)n2)ccc1F 2331449168 TVRARQKCTMBIEC-UHFFFAOYSA-N 460.961 7.554 50 10 JKGE CCCCOc1ccc(C=C(C#N)c2nc(-c3cc(C(C)C)c(OC)cc3C)cs2)cc1OC 2331463580 SUUPVZFOHAKXET-UHFFFAOYSA-N 476.642 7.502 50 10 JKGE CC1(C)[C@H]2CO[C@]1([C@H](Br)c1cc(Br)c(Br)cc1F)C2 2334844498 XHLNPNZTIFBFMM-PYSYBHHASA-N 456.975 5.602 50 10 JKGE COc1ccc([C@@H](Br)c2sc(Cl)cc2I)cc1OC 2338559083 SBYKNTHEQQMWDR-GFCCVEGCSA-N 473.557 5.508 50 10 JKGE Brc1ccc([C@@H](Br)c2cc3c(cc2Br)OCCC3)s1 2343596811 SWNHBSKIFSELQY-AWEZNQCLSA-N 467.020 6.082 50 10 JKGE Cc1cc(Br)c([C@H](Br)[C@H]2C[C@@H]3O[C@H]2[C@H]2C[C@@H]32)c(C)c1Br 2358672681 AYRGRBZMZIZLOH-ZQVFWPKPSA-N 465.023 5.688 50 10 JKGE Fc1c(Br)cc(Cl)c([C@@H](Br)[C@@H]2CC3CCC2CC3)c1Br 2362229637 LAFHMWIFYWFKOH-YYQWEOLTSA-N 489.448 7.266 50 10 JKGE Fc1c(Br)cc(Cl)c([C@H](Cl)[C@@H]2CC[C@H]3[C@@H]2C3(F)F)c1Br 2362231884 HYGMSVMBXAMPBX-WZXCKGQJSA-N 452.923 6.575 50 10 JKGE Cc1c(Br)sc([C@@H](Br)C23COC(C(F)(F)F)(C2)C3)c1Br 2363909508 ZYTWGOVMARUESH-MFAVDMRSSA-N 498.984 6.129 50 10 JKGE FC(F)(F)Oc1ccc([C@H](Br)c2sc(Cl)cc2I)cc1 2364122022 LLWMZUXCLPEHFX-JTQLQIEISA-N 497.501 6.389 50 10 JKGE O=C(c1cc(Br)c(Br)s1)N1CCC[C@H](Br)[C@@H]1C(F)(F)F 2370245805 YYKCUAOTLDNARN-YLWLKBPMSA-N 499.972 5.204 50 10 JKGE CCOc1cc(/C=C(/C#N)C(=O)Nc2ccc([N+](=O)[O-])cc2Cl)cc(Br)c1OCC 6600394 IWNLXYHVEGCHGR-QPEQYQDCSA-N 494.729 5.354 50 10 JKGE CC(C)(C)c1ccc([C@@H]2C[C@H]2C(=O)N/N=C/c2cc(Br)c(Br)o2)cc1 9948692 QLEQWJISSOLVRA-JFOJWPGRSA-N 468.189 5.356 50 10 JKGE CCSc1ccsc1[C@H]1C(C#N)=C(N)N(c2ccc(Cl)cc2)C2=C1C(=O)CC(C)(C)C2 9981308 RBOWPGHRONHGMM-FQEVSTJZSA-N 470.063 6.454 50 10 JKGE C[C@@H](Oc1ccc(-c2ccccc2)cc1)C(=O)NNC(=O)COc1ccccc1-c1ccccc1 14038539 NXULOCCJLXTQGJ-OAQYLSRUSA-N 466.537 5.014 50 10 JKGE CC1(C)CC(=O)C(=CNc2ccc(Oc3ccc(NC4=C(C#N)C(=O)CC(C)(C)C4)cc3)cc2)C(=O)C1 33353915 OZZYMKRLNKYQDT-UHFFFAOYSA-N 497.595 6.312 50 10 JKGE CCOc1ccc(/C=C(/C#N)C(=O)Nc2ccc(Cl)c(Cl)c2)cc1I 33452792 YFIJDGATMNOZFC-GHXNOFRVSA-N 487.124 5.542 50 10 JKGE Cc1cc(Oc2nc3ccccn3c(=O)c2/C=C(/C#N)c2nc3ccccc3s2)ccc1Cl 33778099 PYPNNLRPHOOETD-SSZFMOIBSA-N 470.941 6.123 50 10 JKGE C/C(=N\NC(=O)[C@@H](C)Oc1ccc(Cl)cc1C)c1cccc(NC(=O)C2CCCCC2)c1 35045954 JPELOIFKEVNONL-OQIQZUQJSA-N 455.986 5.475 50 10 JKGE C[C@@H](Oc1ccc(F)cc1)C(=O)Oc1ccc2c(c1)OC(N)=C(C#N)[C@@H]2c1ccccc1Cl 38651046 FBFUMHZMCIFZDF-QKFKETGDSA-N 464.880 5.070 50 10 JKGE N#C/C(=C/c1c(Oc2ccccc2Cl)nc2ccccn2c1=O)C(=O)Nc1ccccc1Cl 39858676 APTSYEMSHJRKJV-SQFISAMPSA-N 477.307 5.339 50 10 JKGE C=CCOc1cccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4ccc(OCC)cc4)ccc32)c1 40529851 NBUMOJHZXWYCSA-SANMLTNESA-N 468.509 5.087 50 10 JKGE Cc1ccc(NC(=O)c2oc3c(c2C)/C(=N/NC(=O)COc2ccccc2)CCC3)cc1Cl 40816044 MEHUEEUICRSVOY-VFCFBJKWSA-N 465.937 5.038 50 10 JKGE COc1ccc(/C=N/NC(=O)CSc2nc(-c3ccc(Cl)cc3)cs2)cc1Br 40924706 BFUVANPLICNZII-LSFURLLWSA-N 496.839 5.477 50 10 JKGE Cc1cc(-c2ccc(/C=N/NC(=O)c3cc4cc(Br)ccc4o3)o2)cc([N+](=O)[O-])c1C 59679982 HMKDAGUOUHFJLP-BHGWPJFGSA-N 482.290 5.744 50 10 JKGE C/C(CC(=O)Nc1ccc(Cl)c(Cl)c1)=N\NC(=O)COc1ccc(Cl)cc1Cl 100979083 BPKIDWFUCQTXST-YSURURNPSA-N 463.148 5.200 50 10 JKGE CCCCN1C(=O)C(C#N)=C(C)/C(=C\c2cn(-c3ccccc3)nc2-c2ccc3ccccc3c2)C1=O 101332957 VFTDNAJRQVYLBW-OVVQPSECSA-N 486.575 6.085 50 10 JKGE CCCCCCCOc1ccc(/C=C2/C(=O)N(CCCOCC)C(=O)C(C#N)=C2C)cc1OCC 101336083 UIMHRIQEMDZXLR-PTGBLXJZSA-N 482.621 5.453 50 10 JKGE COc1cc(/C=C2/C(=O)N(Cc3ccccc3Cl)C(=O)C(C#N)=C2C)ccc1OCC(C)C 101340910 RHUDXXPVWKSANC-RGVLZGJSSA-N 464.949 5.176 50 10 JKGE CCOC(=O)/C(C#N)=C1\SC=C(c2ccc(Cl)cc2)C(C#N)=C(N)N1c1ccc(C)cc1 108491202 NLJULSYCKLIGCN-ATJXCDBQSA-N 462.962 5.235 50 10 JKGE COc1cc(C)c(Br)cc1[C@@H](Br)c1sccc1Br 115070085 WFWUTCFQHXNHGV-GFCCVEGCSA-N 455.009 6.074 50 10 JKGE Brc1cc([C@@H](Br)c2ccc3c(c2)CCC3)sc1Br 128237203 BZQBDKRAWOFJDB-ZDUSSCGKSA-N 451.021 6.246 50 10 JKGE CC(C)(c1ccccc1)[C@@H](Br)c1cc(Br)c(Br)s1 128260393 SFRADIGCQHGNNG-LBPRGKRZSA-N 453.037 6.687 50 10 JKGE C[C@@](CI)(OCCCC(F)(F)F)c1ccccc1Br 162518970 HKVNBLMOVNOSSS-LBPRGKRZSA-N 451.064 5.458 50 10 JKGE CC[C@@H](C)N1C(=O)C(C#N)=C(C)/C(=C/c2cn(-c3ccccc3)nc2-c2ccc3ccccc3c2)C1=O 214254439 YATSCLUURFMHHD-DAJTYMAISA-N 486.575 6.083 50 10 JKGE Cc1ccc([C@@H](Br)c2cc(Br)ccc2I)cc1C 235921147 HHOUPGZYMDBOPJ-OAHLLOKOSA-N 479.981 6.155 50 10 JKGE Cc1sc([C@@H](Cl)c2cc(Br)sc2Br)cc1Br 235971778 BCZFWTCPPCUQEZ-VIFPVBQESA-N 465.457 6.734 50 10 JKGE COc1cccc(CN(C(=O)CCl)[C@H](C(=O)N[C@@H]2CCCC[C@H]2C)c2ccccc2Cl)c1 252586345 PHUKFUBRFYSRPA-BSDZUQITSA-N 477.432 5.352 50 10 JKGE O=C(NN=Cc1ccc(OCc2ccccc2)cc1OCc1ccccc1)c1ccc(O)cc1 254428353 HXPLUIYOZUDJCE-UHFFFAOYSA-N 452.510 5.314 50 10 JKGE CCCCCCCC(=O)NN=Cc1ccc(SCC(=O)Nc2ccc3ccccc3c2)o1 254757589 AOMKXJOXXZLRPU-UHFFFAOYSA-N 451.592 5.974 50 10 JKGE CCOc1ccc(/C=C2/CN(C(C)C)CC3=C2OC(N)=C(C#N)[C@H]3c2ccc(OCC)cc2)cc1 254762050 DMEIACXFOZBZLH-IUVLWKGXSA-N 471.601 5.353 50 10 JKGE C[C@H](Cl)c1nc2cc(I)ccc2n1C[C@H]1CCCCN1Cc1ccccc1 379610279 PEFFGBQCSWBELH-QFBILLFUSA-N 493.820 5.995 50 10 JKGE BrCc1cc(Br)cc(Br)c1OCCC1CCCCC1 389186637 MQBGFVWZKREWJW-UHFFFAOYSA-N 455.028 6.456 50 10 JKGE COCc1cc(Br)c([C@@H](Br)c2cc(Br)oc2C)s1 688089684 ASVMOPAZOHPHBP-NSHDSACASA-N 458.997 5.805 50 10 JKGE Brc1cc2c(c([C@@H](Br)c3ccoc3Br)c1)OCCC2 688372413 VICVGUNUMUAHDM-LBPRGKRZSA-N 450.952 5.614 50 10 JKGE Cn1cc(Br)c([C@H](Br)c2cc(Cl)c(Cl)c(Cl)c2Cl)n1 693050690 DRTINRJILXJPME-SSDOTTSWSA-N 467.803 6.281 50 10 JKGE Fc1ccc(F)c([C@@H](Br)c2cc(Br)sc2Br)c1F 716405700 IZXMYIFHYUPDFH-VIFPVBQESA-N 464.926 6.175 50 10 JKGE C[C@H](COCc1ccccc1)CC(CBr)(CBr)C1CCCCCC1 719439090 LOZVYCSJYIQBFR-SFHVURJKSA-N 460.294 6.976 50 10 JKGE Cc1ccc(-c2ccccc2)n1-c1ccc(C(=O)NN=Cc2ccc(Cl)c([N+](=O)[O-])c2)cc1 1084080859 YUKIRAMRFAGAIQ-UHFFFAOYSA-N 458.905 5.778 50 10 JKGE CC(C)c1ccc2c(c1)CC[C@@H]1[C@](C)(CNC(=O)CCCC[C@@H]3CCSS3)CCC[C@@]21C 1615155717 CKUJQKQSBXESPV-VXGLHPTQSA-N 473.792 7.651 50 10 JKGE CCCCCOc1ccc(C=NNC(=O)COc2ccc(Br)cc2CC)cc1OC 1772755762 RBOXPHCIUBTFFD-UHFFFAOYSA-N 477.399 5.118 50 10 JKGE Cc1nn(Cc2c(F)cccc2Cl)c2c1[C@H](c1c(Cl)cccc1Cl)C(C#N)=C(N)O2 1865684947 BGQOULKLNAYKQI-GOSISDBHSA-N 463.727 5.557 50 10 JKGE CCOc1ccc([C@@H]2C(C#N)=C(N)Oc3c2c(CC)nn3Cc2c(F)cccc2Cl)cc1OCC 1865689318 PJEUAWFBGRNIMW-HSZRJFAPSA-N 496.970 5.302 50 10 JKGE CCCOc1cccc([C@H]2C(C#N)=C(N)Oc3c2c(C(F)(F)F)nn3Cc2ccc(F)cc2)c1 1865693701 LWHZWAFFNBZGQQ-IBGZPJMESA-N 472.442 5.096 50 10 JKGE Cn1cc([C@H]2C(C#N)=C(N)Oc3c2c(C(F)(F)F)nn3Cc2ccccc2Cl)c2ccccc21 1865698991 HZEIQCXOEMYXKK-LJQANCHMSA-N 483.881 5.313 50 10 JKGE CCOC(=O)c1c(-c2ccc3c(c2)CCCC3)csc1NC(=O)/C(C#N)=C/c1ccc(OC)cc1 1866126397 OSIYOSXXAXWQQQ-HYARGMPZSA-N 486.593 6.025 50 10 JKGE CCCC[C@H](NC(=O)C[C@@H](c1ccc(C(C)C)cc1)C(C)C)C(=O)Nc1ccc(SC#N)cc1 1866738122 DETYIHXWXDWHLC-FTJBHMTQSA-N 479.690 6.827 50 10 JKGE N#CSc1ccc(Nc2cc(N3CCC[C@@H](Oc4ccccc4)C3)nc(Cc3ccccc3)n2)cc1 1868207414 MOOCHNGYLXUYNV-RUZDIDTESA-N 493.636 6.432 50 10 JKGE COc1ccc(-c2csc(/C(C#N)=C(\O)c3c(Cl)ccc(Cl)c3OC)n2)c(OC)c1OC 1872759264 ISVWYUDUYGLJRE-PDGQHHTCSA-N 493.368 6.101 50 10 JKGE CCCCc1ccc(-c2csc(/C(C#N)=C/c3ccc(OCCc4ccccc4)c(OC)c3)n2)cc1 1872781958 ZBTCQSSIMFSFHA-ZXVVBBHZSA-N 494.660 7.847 50 10 JKGE CCOc1cc(/C=C(\C#N)c2nc(-c3c[nH]c4ccccc34)cs2)cc(Br)c1O 1872792013 ZPRFMOVEEXQZQC-VGOFMYFVSA-N 466.360 6.222 50 10 JKGE FC(F)(F)c1cc(Br)cnc1N(Cc1ccccc1)C1(CBr)CCC1 1915762677 OFOQUSWBOOTHRB-UHFFFAOYSA-N 478.150 6.187 50 10 JKGE Cc1c(Br)sc([C@@H](Br)[C@H]2CCCc3ccccc32)c1Br 1922886830 YHWACVQFBUKDFD-JSGCOSHPSA-N 479.075 7.138 50 10 JKGE CCn1cc([C@@H](Cl)c2sc(Br)cc2Br)nc1Br 1922896788 ICIQPWWWDZCHBQ-MRVPVSSYSA-N 463.420 5.580 50 10 JKGE Cc1c(Br)cccc1[C@@H](Cl)c1sc(Br)c(C)c1Br 1922941256 NVNIMUVRTLQOQC-LLVKDONJSA-N 473.455 6.981 50 10 JKGE Cc1c(Br)sc([C@H](Br)CCOCC(F)(F)F)c1Br 1922953554 FFBLIQQMYGKXKE-ZCFIWIBFSA-N 474.962 5.987 50 10 JKGE Cl[C@@H](Cc1ccncc1Br)c1scc(Br)c1Br 1924069456 VVYYTVHVPRZMGM-VIFPVBQESA-N 460.416 5.953 50 10 JKGE CC(C)CCN(CCBr)C(=O)c1csc(Br)c1Br 1924446559 LOGHFENMXNGKLM-UHFFFAOYSA-N 462.045 5.156 50 10 JKGE CC(C)CCN(CCBr)C(=O)c1cc(Br)cc(Br)c1 1924457679 LWZBBUUBBMHSPH-UHFFFAOYSA-N 456.016 5.095 50 10 JKGE Fc1ccc([C@H](Cl)c2c(Br)sc(Br)c2Br)c(F)c1 1924591223 OLEQBLONLQVFBS-VIFPVBQESA-N 481.381 6.642 50 10 JKGE Brc1ccc(Br)c([C@H](Br)Cc2ncccc2Br)c1 1924862281 UWAMCKDZPXVEMJ-GFCCVEGCSA-N 498.838 6.048 50 10 JKGE Clc1ccccc1C[C@H](Br)c1csc(Br)c1Br 1945183783 NKTJEPBVDVFWGU-VIFPVBQESA-N 459.428 6.605 50 10 JKGE C[C@](CCCC[C@H]1CCSS1)(CC(=O)O)NC(=O)OCC1c2ccccc2-c2ccccc21 1951854679 KESJILGVBRRZKV-QYBDOPJKSA-N 485.671 6.473 50 10 JKGE CC(C)(CBr)N(Cc1ccccc1)Cc1ccc(Cl)c(Br)c1F 1979517644 LUEXCERDNCCLCQ-UHFFFAOYSA-N 463.616 6.417 50 10 JKGE COC[C@@H]1C[C@@H]1[C@@H](Br)c1c(Br)sc(Br)c1Cl 1988578949 HKHORTNIDNYSKZ-KZLJYQGOSA-N 453.421 5.645 50 10 JKGE CC(C)(F)[C@](C)(F)[C@@H](Br)c1c(Br)sc(Br)c1Cl 2003231968 MIQYRJCDWPMFPH-QUBYGPBYSA-N 475.418 6.839 50 10 JKGE Cc1csc([C@@H](Br)c2ccc(Br)cc2Br)c1Cl 2024295627 SVDPVTIXCPLIGB-JTQLQIEISA-N 459.428 6.719 50 10 JKGE O=C(NC[C@@H]1CCCN(CC2(CBr)CCCCCC2)C1)OCc1ccccc1 2044696648 NGSQIJKMLYPTEF-NRFANRHFSA-N 451.449 5.360 50 10 JKGE COc1c(Cl)cc(-c2csc([C@@H](C#N)C(=O)C(C#N)=Cc3ccccc3)n2)cc1Cl 2084324088 GRDOWIQNXDGXHB-INIZCTEOSA-N 454.338 5.909 50 10 JKGE Clc1ccc(COc2cccc(Br)c2CBr)c(Br)c1 2088515112 SDOZNKGIVKSIFM-UHFFFAOYSA-N 469.398 6.339 50 10 JKGE COc1cc(Br)c(C)cc1[C@@H](Br)c1ccccc1I 2089725569 ONPKCMGOWBHREH-HNNXBMFYSA-N 495.980 5.855 50 10 JKGE Cc1cc(Br)c([C@H](Br)[C@@H]2CC[C@@H]3[C@@H]2C3(F)F)cc1Br 2102122004 YARXPGWOJVNNDG-NHULRPGXSA-N 458.966 6.247 50 10 JKGE C[C@H](CCCCCBr)NC(=O)c1ccc(I)c(Cl)c1 2117896103 XTKKKUOEQJLELV-SNVBAGLBSA-N 458.565 5.018 50 10 JKGE ClCc1ccc(Br)cc1OCc1cc(Br)ccc1Br 2118520912 ZCUPHVQTTWPTJD-UHFFFAOYSA-N 469.398 6.292 50 10 JKGE Cc1c(Br)cccc1COc1c(Br)cc(Cl)cc1CBr 2143692137 QKNITFQDESYYSG-UHFFFAOYSA-N 483.425 6.647 50 10 JKGE FC(F)(F)C1([C@H](Br)c2cc(I)cc3c2OCC3)CCC1 2144254872 HIRYPZUZMBORMX-GFCCVEGCSA-N 461.059 5.395 50 10 JKGE CC(C)n1nccc1COc1c(Br)cc(CBr)cc1Br 2150670916 JVWZTFVWXCIOIW-UHFFFAOYSA-N 466.999 5.463 50 10 JKGE Fc1ccc(N2[C@H]3CCC[C@H]2CN(Cc2ccccc2)CC3)c(CBr)c1Cl 2166625712 MOBFETXRCDDZOJ-ROUUACIJSA-N 451.811 6.007 50 10 JKGE COc1ccc(C[C@@H](Br)c2cc(I)ccc2F)cc1F 2169666696 WHYYMUHBHJBJJM-GFCCVEGCSA-N 453.064 5.257 50 10 JKGE CCc1nc(CC(CBr)(CBr)c2cccc(Br)c2)cs1 2169826417 QNPONQCXXLITDL-UHFFFAOYSA-N 482.079 5.738 50 10 JKGE FC1(F)CCOC[C@H]1COc1c(Br)cc(CBr)cc1Br 2170265378 CMSSMXZWRMWINM-VIFPVBQESA-N 478.953 5.157 50 10 JKGE O=C(NCC[C@H]1CCCC[C@@H]1Br)c1ccc(Br)cc1Br 2179635432 LWRLIHSZTBTAGQ-MFKMUULPSA-N 468.027 5.285 50 10 JKGE COc1cc(Br)c(C(=O)N(Cc2ccccc2)[C@H](CBr)C2CC2)cc1OC 2189046092 ZSVMYYRHAMFXNX-GOSISDBHSA-N 497.227 5.282 50 10 JKGE Cc1cc(Br)c(C)c([C@@H](Br)[C@@H](C)c2ccccc2)c1Br 2201070774 CIGRYUFNQKIUEO-GTNSWQLSSA-N 461.035 7.068 50 10 JKGE Cc1c(Br)ccc([C@@H](Br)c2ccc(C3CC3)cc2)c1Br 2203687094 WFAWZEFXEIRZDS-KRWDZBQOSA-N 459.019 6.882 50 10 JKGE Fc1cc(Br)c(Br)cc1[C@H](Br)[C@H]1C[C@H]1C(F)(F)F 2218595846 AXWPNCCKUYZFFH-XBQGZJGMSA-N 454.881 5.985 50 10 JKGE Cc1ccc([C@@H](Br)c2cc(Br)c(Br)s2)c(F)c1F 2223311366 CNTGLUVBRMHNFP-SECBINFHSA-N 460.963 6.344 50 10 JKGE Cn1nc([C@@H](Cl)c2c(Br)cc(Cl)c(Cl)c2Cl)cc1Br 2224317947 SFRXQHWULGQCOI-SNVBAGLBSA-N 467.803 6.234 50 10 JKGE Cc1sc([C@H](Br)c2c(Br)cc(F)c(Cl)c2F)cc1Br 2226087358 BRGPOTZILGPHCX-JTQLQIEISA-N 495.408 6.997 50 10 JKGE CCc1ccc([C@H](Br)c2c(Br)cc(C)c(Br)c2C)o1 2227348246 MYFGERGIJAAIRG-HNNXBMFYSA-N 450.996 6.468 50 10 JKGE COc1cc(Br)c([C@H](Cl)c2cccc(I)c2)cc1C 2227732724 RJNIERNZIQAIJK-OAHLLOKOSA-N 451.529 5.699 50 10 JKGE COc1cc(Br)c([C@H](Br)c2ccc(Br)c(Cl)c2)cc1C 2236013180 VSDQIDDKGRKPHM-OAHLLOKOSA-N 483.425 6.666 50 10 JKGE Cc1cccc([C@@H](Cl)c2c(F)cc(F)c(Br)c2F)c1I 2236102526 LEDZWFJJDZDSIK-GFCCVEGCSA-N 475.473 6.108 50 10 JKGE COc1ccc([C@H](Cl)c2cc(Br)c(C)cc2Br)c(Br)c1 2240821359 CODYCQNWBZPAFS-HNNXBMFYSA-N 483.425 6.619 50 10 JKGE Cc1ccc(I)c([C@@H](Cl)c2ccc3c(c2Br)CCO3)c1 2240996089 IOOCHFSVNLFYPO-INIZCTEOSA-N 463.540 5.625 50 10 JKGE Clc1ccc([C@@H](Br)c2ccc(Br)cc2)cc1I 2248216416 SKLYJOVFMLDTHI-ZDUSSCGKSA-N 486.372 6.191 50 10 JKGE Cc1cc(Cl)c(Cl)cc1[C@H](Br)c1csc(Br)c1Br 2253407649 CFMJONYNQUWLPP-JTQLQIEISA-N 493.873 7.373 50 10 JKGE Cc1cc(Br)c(F)c([C@H](Br)c2sc(C)c(C)c2Br)c1 2264432236 LIMIMQQQFFDZDM-LBPRGKRZSA-N 471.027 6.822 50 10 JKGE Cc1c(Br)ccc([C@@H](Br)[C@@H]2COC3(CCC3)C2)c1Br 2269383106 RBBRQUZDYLITBR-HZMBPMFUSA-N 453.012 5.915 50 10 JKGE CC(C)(C)OC(=O)N[C@H](C[S@@](C)(=O)=NCCCCCCCBr)C(C)(C)C 2277449038 NYKXODUAGJBHNN-AKJBCIBTSA-N 455.503 5.369 50 10 JKGE Cc1c(Cl)cccc1[C@H](Br)Cc1cc(Br)cc(Br)c1 2277966803 WAOVRJBEUQDWFM-CQSZACIVSA-N 467.426 6.852 50 10 JKGE Fc1cc(Br)c(F)c(Br)c1[C@H](Br)CCOCC(F)(F)F 2288349446 PZOHLFVYVKGBHY-RXMQYKEDSA-N 490.886 5.895 50 10 JKGE COc1cc(C=C(C#N)C(=O)Nc2cc(C(F)(F)F)ccc2Cl)ccc1OC(=O)c1ccco1 2295672729 YZZAUGYJZVVEDX-UHFFFAOYSA-N 490.821 5.725 50 10 JKGE Cc1ccc(Cl)cc1NC(SCc1ccc(F)cc1)=C(C#N)S(=O)(=O)c1ccccc1 2297349966 IHKAWNMBSPZDHO-UHFFFAOYSA-N 472.994 6.299 50 10 JKGE N#CC(=Cc1ccccc1OCc1ccccc1Cl)C(=O)Nc1cc(Cl)ccc1Cl 2313630583 CDTNOTGDQHNWNX-UHFFFAOYSA-N 457.744 6.771 50 10 JKGE Brc1ccc(OCc2ccccc2)c([C@H](Br)[C@H]2CC3CCC2CC3)c1 2314448966 MCVQLINIAWVSFA-JVCWNBPMSA-N 464.241 7.290 50 10 JKGE N#CC(=Cc1ccc2noc(-c3ccccc3)c2c1)C(=O)Nc1cc(C(F)(F)F)ccc1Cl 2314572352 ZANOZCUPVIXWJB-UHFFFAOYSA-N 467.834 6.713 50 10 JKGE CCCOc1ccc(-c2nn(-c3ccccc3)cc2C=C2C(=O)N([C@H](C)CC)C(=O)C(C#N)=C2C)cc1 2314610001 BQUVCYGWBPHZPY-HXUWFJFHSA-N 494.595 5.719 50 10 JKGE C[C@@H]1OCC[C@@H]1[C@@H](Br)c1c(Cl)cc(Br)c(F)c1Br 2315442779 ZHJHUPWCSUTJTK-JFWOZONXSA-N 465.382 5.865 50 10 JKGE Clc1cc(I)c([C@H](Br)[C@H]2C[C@@H]2C2CCCCC2)s1 2316771074 JQXXKBQWRYIMGW-GBIKHYSHSA-N 459.618 6.659 50 10 JKGE COc1c(Br)cc(C)c([C@@H](Br)c2cccs2)c1Br 2317399518 JGGUZUDYUMKDGZ-NSHDSACASA-N 455.009 6.074 50 10 JKGE COc1c(Cl)cc(C=C(C#N)c2nc(-c3ccc(Cl)cc3)cs2)c(OC)c1Cl 2318417649 ATDLKEDLNZLXBL-UHFFFAOYSA-N 451.762 6.852 50 10 JKGE COc1ccc(C(C#N)=Cc2cccc(OC(=O)C=Cc3ccc(Cl)cc3Cl)c2)cc1 2320511205 OUDHXVNVIPVOAC-UHFFFAOYSA-N 450.321 6.685 50 10 JKGE COc1cc(C=C(C#N)c2ccc(Cl)cc2F)ccc1OC(=O)c1cccc([N+](=O)[O-])c1 2331063926 RYMIEDVPWLXNHO-UHFFFAOYSA-N 452.825 5.679 50 10 JKGE COc1cccc(-c2csc(C(C#N)=C(O)[C@@H](CC(C)C)N3C(=O)c4ccccc4C3=O)n2)c1 2331246731 QGQWXDFBKUWMBD-JOCHJYFZSA-N 473.554 5.322 50 10 JKGE N#CC(=C(O)CCCOc1ccc2ccccc2c1)c1nc(-c2ccc(Cl)cc2Cl)cs1 2331254648 KNZATBDIUIEEBL-UHFFFAOYSA-N 481.404 7.922 50 10 JKGE CC(C)(C)N1C(=O)c2ccc(C(O)=C(C#N)c3nc(-c4ccccc4Cl)cs3)cc2C1=O 2331265844 HDDWTKJDXQTYQX-UHFFFAOYSA-N 463.946 5.808 50 10 JKGE CCOc1cc(C(O)=C(C#N)c2nc(-c3ccc(C(C)(C)C)cc3)cs2)cc(OCC)c1OCC 2331331601 UIDJKTRIKGNQAN-UHFFFAOYSA-N 492.641 7.254 50 10 JKGE COc1ccc(OCC(O)=C(C#N)c2nc(-c3ccc(C(C)C)cc3)cs2)c(C(C)(C)C)c1 2331340629 KQUQJYBVMUJXRI-UHFFFAOYSA-N 462.615 7.111 50 10 JKGE CCOc1cc(C=C(C#N)c2nc(-c3ccc(Cl)cc3)cs2)cc(Br)c1O 2331440106 CLIWITFHPXDVQZ-UHFFFAOYSA-N 461.768 6.394 50 10 JKGE CCOc1ccc(-c2csc(C(C#N)=Cc3cc(Br)c(O)c(OCC)c3)n2)cc1 2331440334 GAJSOIDGQUXAOA-UHFFFAOYSA-N 471.376 6.140 50 10 JKGE COc1cc(C=C(C#N)c2nc(-c3ccc(C)cc3C)cs2)ccc1OCCCc1ccccc1 2331443477 UEJLNFYWSHKVBU-UHFFFAOYSA-N 480.633 7.511 50 10 JKGE Cc1cc(Br)c([C@H](Br)[C@@H]2C[C@@H]3CC[C@H]2C3)c(C)c1Br 2334328139 XNLXNAGJEJSBHH-AZKPJATDSA-N 451.040 6.701 50 10 JKGE Brc1cc(Br)cc(C[C@H](Br)[C@@H]2CC[C@@H]3C[C@H]2CO3)c1 2335066516 LOEKTMMKDQRQTK-QOWREQOWSA-N 453.012 5.333 50 10 JKGE CC(C)c1cccc([C@@H](Cl)c2c(Br)sc(Br)c2Br)c1 2343657804 OEHDKXNAJUGWDH-GFCCVEGCSA-N 487.482 7.487 50 10 JKGE CC(C)(C)[C@H]1[C@@H](Cl)CCN1Cc1ccc(I)c(Br)c1 2349836081 LDHAFDVQHVNDFL-GXTWGEPZSA-N 456.593 5.282 50 10 JKGE Cc1ccc(Oc2ccc(Cl)c(Cl)c2Br)c(CBr)c1Cl 2360731903 NKNWDWJNEVZLCM-UHFFFAOYSA-N 459.392 7.405 50 10 JKGE Fc1c(Br)cc(Cl)c([C@H](Br)[C@H]2C[C@@H]3CCC[C@@H]3C2)c1Br 2362232930 UATSSNDUTDAQDR-LOKDSWTASA-N 489.448 7.266 50 10 JKGE Fc1c(Br)cc(Cl)c([C@@H](Cl)[C@H]2CCCCC2(F)F)c1Br 2362241308 VXKYMPMQBBLURK-KBUNVGBDSA-N 454.939 7.110 50 10 JKGE COc1ccc(C[C@H](Br)c2ccc(F)c(Br)c2)c(Br)c1 2364260919 JVBOIJHKOQDROO-LBPRGKRZSA-N 466.970 6.038 50 10 JKGE O=C(Nc1ccc(CCBr)cc1)c1ccc(Cl)cc1I 2365586375 LLUIXSQPTXHTRO-UHFFFAOYSA-N 464.528 5.134 50 10 JKGE CC1(C)C[C@H](Br)C[C@@H](NC(=O)c2ccc(Cl)cc2I)C1 2365590789 CKUJTISICPCYPI-MWLCHTKSSA-N 470.576 5.017 50 10 JKGE BrCc1cc(Br)c(OCC[C@H]2CC[C@@H]2C2CC2)c(Br)c1 2368450553 BYEWAGXEBVQQIX-CHWSQXEVSA-N 467.039 6.312 50 10 JKGE COc1cc(/C=C(/C#N)c2ccccc2)ccc1OC(=O)[C@@H](C)Oc1ccc(Cl)cc1Cl 31901888 UFNAVPFXWACIJY-BKAYVGFPSA-N 468.336 6.439 50 10 JKGE CCNC(=O)/C(C#N)=C\c1cn(-c2ccccc2)nc1-c1ccc(OCc2ccccc2Cl)cc1 33378964 LKQBWVCERFTKAQ-JWGURIENSA-N 482.971 5.815 50 10 JKGE N#C/C(=C/c1ccc(OCCOc2ccc(C3CCCCC3)cc2)cc1)C(=O)NCc1ccco1 33417789 BHNMLJDMKNNIFT-PLRJNAJWSA-N 470.569 6.008 50 10 JKGE CCOC(=O)c1ccc(-c2ccc(/C=C(\C#N)c3nc(O)c4cc(OCC)ccc4n3)o2)cc1 34988602 JYPFMUNLJNRLTH-QGOAFFKASA-N 455.470 5.235 50 10 JKGE CCOc1ccccc1C(=O)Oc1ccc2c(c1)OC(N)=C(C#N)[C@H]2c1ccc(C(C)C)cc1 38649656 XFAXHICKACRGEU-SANMLTNESA-N 454.526 5.646 50 10 JKGE COc1cccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4ccc(C(C)(C)C)cc4)ccc32)c1 38650113 RASDREPNWPSXQK-RUZDIDTESA-N 454.526 5.430 50 10 JKGE CCOc1c(Cl)cc(C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@H]3c2ccc(F)cc2)cc1Cl 38652892 QPABOPMVSJYRIC-QFIPXVFZSA-N 499.325 5.969 50 10 JKGE Cc1ccc(Oc2nc3ccccn3c(=O)c2/C=C(/C#N)C(=O)Nc2ccc(C)c(C)c2)c(C)c1 39858865 BACPTFHJDYJIPU-QNGOZBTKSA-N 464.525 5.266 50 10 JKGE CCOC(=O)/C(C#N)=C/c1ccc(OC(=O)CCCOc2ccc(Cl)cc2Cl)c(OC)c1 40889785 DXENPIDPTIAIFN-LFIBNONCSA-N 478.328 5.237 50 10 JKGE CC(=O)Nc1ccc(/C=N/NC(=O)CSc2c(Cl)c(Cl)c(Cl)c(Cl)c2Cl)cc1 59146804 AGQSCCATPHBTFG-TXNBCWFRSA-N 499.634 6.154 50 10 JKGE COc1ccc(NC(=O)/C(C#N)=C/c2cc(Br)c(OCc3ccccc3)c(OC)c2)cc1 59433107 RWTAXPJEPSZTMA-XDHOZWIPSA-N 493.357 5.591 50 10 JKGE CC(C)Cc1ccc(-c2csc(/C(C#N)=C\Nc3ccc(Cl)cc3C(F)(F)F)n2)cc1 102452917 OZLJMXXPNAYOHW-ATVHPVEESA-N 461.940 7.657 50 10 JKGE CC[C@H](C)[C@H](c1ccccc1)[C@H](Br)c1cc(Br)ccc1Br 109844532 CDEYTQOTXDKKGY-JBBXEZCESA-N 475.062 7.478 50 10 JKGE CCOc1cc(Cl)c([C@H](Br)c2sccc2Br)cc1OCC 111536502 PWRGAVTTYHBETO-AWEZNQCLSA-N 454.611 6.446 50 10 JKGE COc1cc(C)c(Br)cc1[C@@H](Br)c1ccc(Br)cc1Cl 115867195 OMWVORCERONTHV-HNNXBMFYSA-N 483.425 6.666 50 10 JKGE BrC[C@H](Cc1ccc(I)cc1)c1ccccc1Br 118665141 VGFDZBUBOZVNMQ-LBPRGKRZSA-N 479.981 5.775 50 10 JKGE Fc1ccc(C(CBr)(CBr)Cc2sccc2Br)cc1 118671114 BWWBUTPMZOYVNA-UHFFFAOYSA-N 471.027 5.920 50 10 JKGE Fc1cccc(C(CBr)(CBr)Cc2cc(Br)ccc2F)c1 118877839 JERHDCYECQFMDO-UHFFFAOYSA-N 482.988 5.998 50 10 JKGE Cc1cc(Br)c([C@@H](Cl)c2ccc(Br)s2)cc1Br 128721533 GCJKLKPGVODMFV-GFCCVEGCSA-N 459.428 6.672 50 10 JKGE CSc1ccccc1[C@@H](Br)c1cc(Br)c(C)cc1Br 128822793 LCQQLIKQGVIGTR-OAHLLOKOSA-N 465.048 6.726 50 10 JKGE CC(C)Cc1ccc([C@H](Br)c2cc(Br)c(Br)s2)cc1 128857729 DWBDNBIPXVSPIV-AWEZNQCLSA-N 467.064 6.956 50 10 JKGE COc1c(C)cc(Br)c(C)c1[C@H](Br)c1ccc(Br)c(C)c1 137921368 QDLMTRWRXYTAPM-MRXNPFEDSA-N 477.034 6.630 50 10 JKGE CN(C)c1ccc2ccccc2c1-c1c(P(=O)(c2ccccc2)c2ccccc2)ccc2ccccc12 138687063 OXTIKIOHHFZSHX-UHFFFAOYSA-N 497.578 7.365 50 10 JKGE CCCCCOc1ccc(/C=C2\C(=O)N(CCCOC(C)C)C(=O)C(C#N)=C2C)cc1OCC 214308691 YFLVQVLBYJVYAS-JWGURIENSA-N 468.594 5.062 50 10 JKGE C[C@@H](NC(=O)/C(C#N)=C\Nc1ccc(Cl)cc1C(F)(F)F)C12CC3CC(CC(C3)C1)C2 217054469 AJVPNLMMDWZYFA-LSXFSIBFSA-N 451.920 5.899 50 10 JKGE O=C(N[C@H](CBr)c1ccccc1)c1cc(Br)sc1Br 232472621 PUQXYUFFNXWJGQ-SNVBAGLBSA-N 468.008 5.139 50 10 JKGE CCOc1ccc([C@@H](Br)c2ccc(Cl)c(Br)c2)c(Br)c1 233819217 CZQZMTZQPAESOF-HNNXBMFYSA-N 483.425 6.748 50 10 JKGE COc1ccccc1COc1c(Br)cc(CBr)cc1Br 234899676 JVNHADKVKXOCEG-UHFFFAOYSA-N 464.979 5.694 50 10 JKGE COc1ccc(OC)c([C@H](Br)c2cc(Cl)ccc2I)c1 234979964 MWWKGPDOKCYFDC-OAHLLOKOSA-N 467.528 5.446 50 10 JKGE Cc1cc(Br)c([C@H](Br)[C@@H]2CC[C@@H]3CCCC[C@H]3C2)cc1Br 251057718 DPIYHSOVVLRQHC-UYAYXHRUSA-N 479.094 7.563 50 10 JKGE Cc1cccc(N[C@H](C)C(=O)NN=Cc2ccccc2OCc2ccc(Br)cc2)c1 251069982 OCXGHTKIPMJDTP-GOSISDBHSA-N 466.379 5.287 50 10 JKGE CCN(CC)c1c(/C=N/NC(=O)c2ccc(NC(=O)c3ccccc3)cc2)c(C)nn1-c1ccccc1 253566529 JBGPYQKSYMJHRZ-TWKHWXDSSA-N 494.599 5.043 50 10 JKGE CCCCc1ccc(OCC(=O)NN=Cc2ccc(OC(=O)c3ccc(OCCC)cc3)cc2)cc1 254866766 RUBRCPVXMCOKKU-UHFFFAOYSA-N 488.584 5.566 50 10 JKGE Fc1cc(Oc2ccc(Br)cc2CBr)c(Cl)cc1Br 311946986 LQNHMRGLKLFSHS-UHFFFAOYSA-N 473.361 6.691 50 10 JKGE Brc1ccc([C@@H](Br)c2cccc(OCc3ccccc3)c2)c2ccccc12 312953598 SBZQTNULWVIRMQ-DEOSSOPVSA-N 482.215 7.666 50 10 JKGE Cc1ccc(Br)cc1[C@@H](Br)c1scc(C(F)(F)F)c1Br 380095201 FHVIQJQEAHUOAV-SNVBAGLBSA-N 492.980 7.085 50 10 JKGE Oc1c(Cl)cc(Cl)cc1[C@@H]1CN(Cc2ccccc2)C[C@@H]1CI 382716080 KJDUFOBFKRXVIF-XJKSGUPXSA-N 462.158 5.350 50 10 JKGE CC(C)(C)OC(=O)NCCN1C[C@H](c2ccc(CO[Si](C)(C)C(C)(C)C)cc2)Nc2ccccc21 616682361 AZSJWOKUVRNNFH-XMMPIXPASA-N 497.756 6.706 50 10 JKGE Brc1scnc1[C@H](Br)c1csc2c(Br)cccc12 698646782 BEOTYKKSMFEHKL-SECBINFHSA-N 468.033 6.367 50 10 JKGE COc1ccc([C@@H](Cl)c2scc(Br)c2Br)cc1Br 705439965 VJJYBDGBSNCNJN-LLVKDONJSA-N 475.427 6.372 50 10 JKGE COc1ccc([C@@H](Br)c2scc(Br)c2Br)c(Cl)c1 705440309 XUVXMZYSNFBIPV-SNVBAGLBSA-N 475.427 6.419 50 10 JKGE COc1cc(Cl)c([C@@H](Cl)c2scc(Br)c2Br)cc1OC 705448071 OZFILJGEXQPDMY-GFCCVEGCSA-N 461.002 6.272 50 10 JKGE COc1ccc(Oc2cc(Br)ccc2CCl)cc1I 712919379 LDHJFOPOSZYHON-UHFFFAOYSA-N 453.501 5.593 50 10 JKGE Cc1cccc(NC(=O)[C@@H](c2cccs2)N(C(=O)CCl)c2cccc(C(F)(F)F)c2)c1 725237710 MIDFXCXYIOEXGM-HXUWFJFHSA-N 466.912 6.027 50 10 JKGE COc1ccc(CC(=O)NN=Cc2ccc(OCc3cccc4ccccc34)c(OC)c2)cc1 725415528 LXYXRWNGIONYQU-UHFFFAOYSA-N 454.526 5.129 50 10 JKGE N#C/C(=C/c1ccc(OCc2c(Cl)cccc2Cl)cc1)c1nn(-c2ccccc2)c(N)c1C#N 1083966397 ALFVCGPEDHKKEB-AQTBWJFISA-N 486.362 6.276 50 10 JKGE O=C(NN=Cc1c2ccccc2cc2ccccc12)c1ccc(NC(=O)c2ccc(Cl)cc2)cc1 1084280056 BVMWVAGYHWMFEO-UHFFFAOYSA-N 477.951 6.663 50 10 JKGE O=C(NN=C(/C=C\c1ccccc1)/C=C/c1ccccc1)c1ccccc1I 1084287838 MMNVCWNPVBTWMJ-FKWPIAAUSA-N 478.333 5.804 50 10 JKGE Cc1cc([N+](=O)[O-])ccc1-c1ccc(C=NNC(=O)c2cc3cc(Br)ccc3o2)o1 1084425038 WXHLTLDVTGSBEY-UHFFFAOYSA-N 468.263 5.436 50 10 JKGE Clc1ccc(Oc2ccc(C[P+](c3ccccc3)(c3ccccc3)c3ccccc3)cc2)nc1 1615216277 JQBNHHOXLDXBKM-UHFFFAOYSA-N 480.955 7.021 50 10 JKGE CCCOc1cccc([C@@H]2C(C#N)=C(N)Oc3c2c(C)nn3-c2ccc(Cl)c(Cl)c2)c1 1865692166 BPSIUKIENYFCKJ-OAQYLSRUSA-N 455.345 5.495 50 10 JKGE CCc1nn(Cc2ccc(F)cc2)c2c1[C@@H](c1ccc(OCc3ccc(C)cc3)cc1)C(C#N)=C(N)O2 1865692718 HOSQDMFDOOZBTA-MHZLTWQESA-N 494.570 5.739 50 10 JKGE CCOc1ccc([C@H]2C(C#N)=C(N)Oc3c2c(-c2ccccc2)nn3Cc2ccccc2)cc1OC 1865695201 MNMXGEMHAFDHKJ-VWLOTQADSA-N 478.552 5.224 50 10 JKGE CCCCCCOc1ccc([C@@H]2C(C#N)=C(N)Oc3c2c(-c2ccc(OC)cc2)nn3C)cc1OC 1865696823 RAPXMYHTNGOUPT-XMMPIXPASA-N 488.588 5.282 50 10 JKGE CCc1nn(-c2cccc3ccccc23)c2c1[C@@H](c1cc(Br)ccc1F)C(C#N)=C(N)O2 1865702467 VUROEOHFCFPXPL-QFIPXVFZSA-N 489.348 5.708 50 10 JKGE COc1ccc(-c2nn(Cc3cc(C)ccc3C)c3c2[C@@H](c2ccccc2O)C(C#N)=C(N)O3)cc1 1865708053 MYNVGRGKFDHPDB-VWLOTQADSA-N 478.552 5.148 50 10 JKGE CCCc1nn(Cc2cc(C)ccc2C)c2c1[C@@H](c1ccc(Br)cc1)C(C#N)=C(N)O2 1865714839 RFDVZUKGXWZCOW-QFIPXVFZSA-N 477.406 5.481 50 10 JKGE Cc1nc(-c2ccc(Cl)cc2Cl)ccc1C(=O)NNC(=O)c1ccc(C(F)(F)F)cc1 1865759868 WLQMEBDRXJNOKK-UHFFFAOYSA-N 468.262 5.457 50 10 JKGE CCCC[C@H](NC(=O)C[C@@H](c1ccc(C)cc1)C(C)C)C(=O)Nc1ccc(SC#N)cc1 1866737027 QAYFEAMCLLKXEO-RPWUZVMVSA-N 451.636 6.012 50 10 JKGE COc1cc(/C=C(\C#N)c2nc3cc(C)ccc3n2C)ccc1OCc1ccc(Br)cc1 1872728329 XKHFDCUZGSVLDP-DEDYPNTBSA-N 488.385 6.296 50 10 JKGE N#C/C(=C\c1ccc(-n2nc(-c3ccccc3)cc2-c2ccccc2)cc1)c1ccc(Cl)cc1F 1872729458 LHQDHYSJVSEYDJ-JJIBRWJFSA-N 475.954 8.063 50 10 JKGE C[C@H](Oc1ccc(Cl)cc1Cl)/C(O)=C(\C#N)c1nc(-c2ccc(Cl)cc2Cl)cs1 1872744737 GHRJVNSFIXQEQF-NSYNCBPISA-N 486.207 7.684 50 10 JKGE C[C@H](Oc1ccc(Cl)cc1Br)/C(O)=C(\C#N)c1nc(-c2ccccc2)cs1 1872747522 HKBICPCWPIMEKV-IBPDABBASA-N 461.768 6.486 50 10 JKGE COc1ccc(C(C)(C)C)cc1-c1csc(/C(C#N)=C(\O)[C@H](C)Oc2ccc(C(C)C)cc2)n1 1872751859 XKLTYXVRDOMAMS-RHGYLGJDSA-N 476.642 7.500 50 10 JKGE CCOc1ccc(OCC)c(-c2csc(/C(C#N)=C(\O)CCN3C(=O)c4ccccc4C3=O)n2)c1 1872754846 LSSWEFMUXNBSAD-XDOYNYLZSA-N 489.553 5.086 50 10 JKGE CCCCCCOc1ccc(/C(O)=C(\C#N)c2nc(-c3ccc(OCC)cc3OCC)cs2)cc1 1872755288 HBHVIODYLMOBNI-PNHLSOANSA-N 492.641 7.516 50 10 JKGE N#C/C(=C(/O)CCCOc1ccc2ccccc2c1)c1nc(-c2ccc3ccccc3c2)cs1 1873940914 NBKPKQQCOZDVPK-SGEDCAFJSA-N 462.574 7.768 50 10 JKGE COc1cc([C@H](Br)c2c(Cl)sc(Cl)c2Cl)ccc1Br 1876918555 IBQLXXCQAAHIEJ-VIFPVBQESA-N 465.421 6.964 50 10 JKGE N#CC(=C(Cl)c1cc(Br)ccc1I)c1cccs1 1882790607 ZLBKESWRVCEBKU-UHFFFAOYSA-N 450.526 5.746 50 10 JKGE CC1(C)C[C@]1(Cl)[C@@H](Br)c1ccc(OCc2ccccc2)cc1Br 1899856690 KPFWONLTEHDARV-HKUYNNGSSA-N 458.621 6.872 50 10 JKGE Clc1c(Br)sc(Br)c1[C@H](Br)[C@@H]1C[C@@H]2CC[C@H]1O2 1906732361 AXUQMHGENIDLEO-LENIQADQSA-N 465.432 5.930 50 10 JKGE Cn1nc(CN(Cc2ccccc2)C2(CBr)CCC2)c(Br)c1Cl 1915749414 JYXXIOSWIYXUBY-UHFFFAOYSA-N 461.629 5.156 50 10 JKGE FC(F)(F)C1([C@@H](Br)c2c(Br)sc(Br)c2Cl)CC1 1923067003 XNHGHABHZCTEPF-YFKPBYRVSA-N 477.365 6.705 50 10 JKGE FC1CCC([C@H](Br)c2c(Br)sc(Br)c2Cl)CC1 1923068660 VCDKQRAWUINXAS-QIECLKSESA-N 469.439 6.891 50 10 JKGE C[C@@H](c1ccccc1)[C@@H](Cl)c1c(Br)sc(Br)c1Br 1924585357 KTMXEVRKUDNZLK-WRWORJQWSA-N 473.455 7.119 50 10 JKGE COc1cc(Br)ccc1[C@@H](Br)c1c(Cl)sc(Cl)c1Cl 1925585282 NZUSMPZLDMSDSD-SECBINFHSA-N 465.421 6.964 50 10 JKGE CC1(C)CC[C@H]1[C@@H](Cl)c1c(Br)sc(Br)c1Br 1987991008 NOVUORKSIHHHGH-YLWLKBPMSA-N 451.449 6.752 50 10 JKGE C[C@@H]1CC[C@H](C[C@@H](Br)c2c(Br)sc(Br)c2Cl)O1 1998140467 KSVHJGKJKBSZNR-FSDSQADBSA-N 467.448 6.320 50 10 JKGE CN(C(=O)c1cc(Br)c(Br)s1)C1CCC(Br)CC1 2042105342 WMWAGQVTTFHHJI-UHFFFAOYSA-N 460.029 5.051 50 10 JKGE C[C@H]1CN(CC2(CBr)CCCCCC2)C[C@@H](C)N1C(=O)OCc1ccccc1 2044700606 RGLZTPNETIQNTL-BGYRXZFFSA-N 451.449 5.453 50 10 JKGE C[C@H]1CN(c2cc(Br)cc(F)c2CBr)[C@@H](C)CN1Cc1ccccc1 2051130882 BFCNBOWCQOHVRX-GJZGRUSLSA-N 470.224 5.582 50 10 JKGE N#CC(=Cc1ccc(OCc2ccc(Cl)cc2)c(Br)c1)c1nc2ccccc2s1 2053516069 XDERAKHZESUDLY-UHFFFAOYSA-N 481.802 7.355 50 10 JKGE C[C@H](C1CC1)N(Cc1ccccc1)S(=O)(=O)c1ccc(CBr)c(Br)c1 2059390988 WKDJWPFNKCJRPV-CQSZACIVSA-N 487.257 5.333 50 10 JKGE Fc1cccc(C[C@H](Br)c2ccc(Br)cc2I)c1 2086144746 DKILCWKYFDAVSU-ZDUSSCGKSA-N 483.944 5.872 50 10 JKGE O=C(N[C@H]1CCCC[C@@H]1CCBr)c1cc(Br)c(Br)s1 2090566116 BETQGTCOCXYQJE-SCZZXKLOSA-N 474.056 5.347 50 10 JKGE Cl[C@H](Cc1ccccc1I)c1cc(C2CC2)c(Br)s1 2094668901 LJWVCVPFORFODH-GFCCVEGCSA-N 467.597 6.515 50 10 JKGE CCOc1ccc([C@@H](Br)c2scc(C)c2Br)cc1Br 2100814724 MHSBTCXZVCWVTF-CYBMUJFWSA-N 469.036 6.465 50 10 JKGE CC12CC([C@@H](Br)c3sc(Br)cc3Br)(C1)C1(CCC1)O2 2101241911 DDSBFJKUUUDLFH-HIFPTAJRSA-N 471.052 6.201 50 10 JKGE BrCCN(Cc1cccs1)Cc1cccc(Br)c1Br 2114666278 VFQSTCNXBLTDOO-UHFFFAOYSA-N 468.052 5.670 50 10 JKGE Cc1c(Br)ccc([C@H](Br)[C@@H]2C[C@@H]3CCC[C@@H]3C2)c1Br 2138853187 PWDSXUFQCPLSMX-KZTGVZKYSA-N 451.040 6.782 50 10 JKGE Clc1cccc(C(CBr)(CBr)Cc2cc(Br)sn2)c1 2139781696 XNQRRBUFYSRNKM-UHFFFAOYSA-N 488.470 5.829 50 10 JKGE C[C@H]1CCCN(Cc2ccc(I)c(Cl)c2)[C@@H]1CCBr 2142950575 SFOYKEPLCBBNHF-XHDPSFHLSA-N 456.593 5.330 50 10 JKGE BrCc1c(Br)cccc1N1CCC[C@@]2(CN(Cc3ccccc3)CCO2)C1 2151740040 PSKZLRWWJFYWRG-JOCHJYFZSA-N 494.271 5.215 50 10 JKGE FC1(F)CCC2(CC1)C[C@@H]2[C@@H](Cl)c1c(Br)sc(Br)c1Cl 2163395860 JYHQIFSPEYBHOH-HTRCEHHLSA-N 469.016 7.422 50 10 JKGE CN(C(=O)c1cc(Br)ccc1Br)[C@@H]1CCCCC[C@H]1Br 2172546813 IZZKPUPKNZRZOS-ZIAGYGMSSA-N 468.027 5.380 50 10 JKGE Cc1cc(Br)c([C@H](Br)[C@@]2(C)CCCC(F)(F)C2)cc1Br 2188636072 YCHFXPVEDQCCNT-KBPBESRZSA-N 475.009 7.172 50 10 JKGE BrCC(CBr)(CC12CCC(CC1)O2)c1ccc(Br)cc1 2191806823 YOCLUTWFMBOBBU-UHFFFAOYSA-N 467.039 5.578 50 10 JKGE COc1cc(C)c([C@@H](Br)c2cc(Br)ccc2F)cc1Br 2198738032 VOWAAZZYRKTYON-OAHLLOKOSA-N 466.970 6.152 50 10 JKGE FC1(F)CCC2(CC1)C[C@H]2[C@H](Br)c1ccc(Br)cc1Br 2203687035 VVMHJSNHSLOVJA-WCQYABFASA-N 472.993 6.863 50 10 JKGE Fc1cc(Br)c(Br)cc1[C@@H](Br)[C@@H]1CC[C@H]2C[C@H]1CO2 2225615323 GIGNQAKEORNZII-GMAGZHIISA-N 456.975 5.602 50 10 JKGE ClCc1nc2cc(Br)c(Br)cc2n1C1(CCOCc2ccccc2)CC1 2225694497 VSFFGFHVFMMPFM-UHFFFAOYSA-N 498.646 6.396 50 10 JKGE Cc1cc(Br)c([C@H](Br)c2sc(Br)c(C)c2C)cc1Cl 2225845991 BXFJKLLCKZGXGC-LBPRGKRZSA-N 487.482 7.336 50 10 JKGE Cc1cc(Br)c([C@H](Br)c2cccc(F)c2)c(C)c1Br 2227351126 ZUZIVCVIAVDDNL-OAHLLOKOSA-N 450.971 6.452 50 10 JKGE Cc1cc(Br)c([C@H](Br)C2C[C@H]3CCC[C@H](C2)C3)cc1Br 2233632195 YBHNLHMSVQMWLW-NVGCLXPQSA-N 465.067 7.172 50 10 JKGE Cc1cc(Br)c([C@H](Br)[C@H]2CCCS(=O)(=O)C2)c(C)c1Br 2235614093 FBIHXOUODGVYAL-IINYFYTJSA-N 489.067 5.089 50 10 JKGE C[C@@H](Br)CN(Cc1ccccc1)C(=O)c1scc(Br)c1Cl 2241234197 HCYFOAJVDXSIRX-SNVBAGLBSA-N 451.611 5.590 50 10 JKGE COc1ccc([C@H](Cl)c2c(F)cccc2I)c(Br)c1 2267658656 HYNWJMDHSZXWAR-AWEZNQCLSA-N 455.492 5.530 50 10 JKGE CCc1cc([C@H](Br)c2cc(C)cc(Br)c2F)sc1Br 2267892947 KAPYCXDNTASHDA-GFCCVEGCSA-N 471.027 6.767 50 10 JKGE COc1cc(C)c(Br)c(C)c1[C@H](Cl)c1cscc1OCc1ccccc1 2269599275 VSRCZKOSEYWAGQ-OAQYLSRUSA-N 451.813 7.043 50 10 JKGE COc1cc(Br)c([C@@H](Br)c2cc(Br)co2)cc1OC 2270466467 YOOOZTLJWRJEDM-CYBMUJFWSA-N 454.940 5.306 50 10 JKGE Fc1cc(Br)c(F)c(Br)c1[C@H](Br)[C@H]1C[C@]12CC2(F)F 2272728975 ZCYVGBGYFCSEKJ-CPFXQGKDSA-N 466.892 5.971 50 10 JKGE COc1cc(C)c(Cl)cc1[C@@H](Br)c1cccc(I)c1 2277904826 JUDYWDAKSMFMTN-HNNXBMFYSA-N 451.529 5.746 50 10 JKGE CCOC(=O)c1c(-n2c(C)cc(C=C(C#N)C(=O)NCc3ccco3)c2C)sc2c1CCCC2 2294171959 MLUMJKHQHOUJQM-UHFFFAOYSA-N 477.586 5.028 50 10 JKGE CC(C)(C)c1ccc([C@H](Br)Cc2cc(Br)cc(Br)c2)s1 2295264562 HCEOOZGJDMNFLU-CYBMUJFWSA-N 481.091 7.249 50 10 JKGE N#CC(=Cc1cccc(Br)c1)c1nc(-c2cccs2)c(NC(=O)c2ccco2)s1 2296728802 UOLLBTNJRQQPKK-UHFFFAOYSA-N 482.384 6.544 50 10 JKGE CC(C)(C)c1cc(C=C(C#N)C(=O)Nc2ccc([N+](=O)[O-])cc2Cl)cc(C(C)(C)C)c1O 2297551504 OKJFKNORZUQNQO-UHFFFAOYSA-N 455.942 6.094 50 10 JKGE CC1(C)C[C@H]([C@@H](Br)c2cc(Br)ccc2OCc2ccccc2)CO1 2299503339 DWXBINMFXRNLIT-HNAYVOBHSA-N 454.202 6.279 50 10 JKGE COc1cc(C=C(C#N)C(=O)Nc2cccc(C)c2)cc(Br)c1OCc1ccccc1 2313518729 PYQHZANFRNHHAA-UHFFFAOYSA-N 477.358 5.891 50 10 JKGE N#CC(=Cc1cn(CC(=O)Nc2ccccc2)c2ccccc12)C(=O)Nc1cccc(Cl)c1Cl 2313571105 NLIAXSKJTUOXHI-UHFFFAOYSA-N 489.362 6.132 50 10 JKGE CCOc1cc(C=C(C#N)C(=O)Nc2c(C)cccc2C)ccc1OCc1ccccc1Cl 2313666993 ANNPOVWDBRDQDQ-UHFFFAOYSA-N 460.961 6.480 50 10 JKGE Brc1ccc(OCc2ccccc2)c([C@@H](Br)[C@@H]2CC3(CCC3)CO2)c1 2314458037 APIHPNWAKWFJSH-VQTJNVASSA-N 466.213 6.423 50 10 JKGE CCCCN1C(=O)C(=Cc2ccc(OCc3ccc(Cl)cc3Cl)cc2)C(C)=C(C#N)C1=O 2314610602 JZHXXSBUFDZMIC-UHFFFAOYSA-N 469.368 5.965 50 10 JKGE Fc1c(Br)cc(Cl)c([C@@H](Cl)c2nscc2Br)c1Br 2315442340 SAYPERUAMRVWRY-MRVPVSSYSA-N 498.824 6.551 50 10 JKGE Cc1cccc(N2CCN(C=C(C#N)C(=O)NC3CCCCCCCCCCC3)CC2)c1C 2320907623 VMBMQLMJQRMNJP-UHFFFAOYSA-N 450.671 5.622 50 10 JKGE CSCC[C@H](NC(=O)OC(C)(C)C)C(=O)NN=Cc1cccc(OCc2ccccc2Cl)c1 2328796514 MLQVGMLDLWZBGY-NRFANRHFSA-N 492.041 5.016 50 10 JKGE COc1cc(C=C(C#N)c2nc3ccccc3s2)ccc1OCC(=O)Nc1ccc(C)cc1C 2331025633 ZTOQFMBGGJLWIA-UHFFFAOYSA-N 469.566 6.003 50 10 JKGE COc1ccc(OC)c(-c2csc(C(C#N)=C(O)Cc3ccc(Br)cc3)n2)c1 2331324596 TWCRSGDJOPIUPF-UHFFFAOYSA-N 457.349 5.625 50 10 JKGE COc1ccc(-c2csc(C(C#N)=C(O)CCCOc3ccccc3C)n2)c(OC)c1OC 2331412723 BDNUVYDWKMCTQY-UHFFFAOYSA-N 466.559 5.796 50 10 JKGE CCCOc1c(Br)cc(C=C(C#N)c2nc(-c3cccc(OC)c3)cs2)cc1OC 2331421462 RXSSJHAUJFXSON-UHFFFAOYSA-N 485.403 6.443 50 10 JKGE Cc1cc(Cl)c(Cl)cc1[C@@H](Cl)c1ccc(OCc2ccccc2)cc1Br 2336083455 KHHRIWFEFQKSMK-NRFANRHFSA-N 470.621 7.972 50 10 JKGE Cc1c(Cl)sc(Cl)c1[C@H](Br)c1cc(F)c(Br)cc1Cl 2336087085 UIUVSBQIHJLWKR-SNVBAGLBSA-N 467.412 7.403 50 10 JKGE CC(C)(CCCl)c1nnc(-c2ccc(Br)cc2I)s1 2337078816 HCSBDGZDZSUXGQ-UHFFFAOYSA-N 471.589 5.479 50 10 JKGE CCCC[C@@H](CC)[C@H](Br)c1c(Cl)cc(Br)c(F)c1Br 2337092986 ZBIISPFLHDOTLU-PELKAZGASA-N 479.453 7.657 50 10 JKGE CCN[C@@H](c1c(Cl)cc(Br)c(F)c1Br)[C@H]1C[C@H](Br)C1 2337108888 KJDRQDFWPXJUIR-FRSIUCEKSA-N 478.425 5.828 50 10 JKGE CC1(C)OCCC[C@]1(CBr)Cc1ccc(Cl)cc1I 2341047924 IWYKQZPMVCJUKV-OAHLLOKOSA-N 457.577 5.457 50 10 JKGE C[C@@H](c1ccncc1F)[C@@H](Br)c1cc(Br)ccc1I 2344692427 MEHLKLMTUGSVKT-RMLUDKJBSA-N 498.959 5.828 50 10 JKGE Fc1ccccc1[C@@H](Br)CCc1ccc(I)c(Br)c1 2349838737 XARVNMNHCXESSP-LBPRGKRZSA-N 497.971 6.262 50 10 JKGE Cc1cc(Cl)c([C@@H](Cl)c2cc(Br)ccc2OCc2ccccc2)c(Cl)c1 2353077480 ZUVYGHSYLSESCD-NRFANRHFSA-N 470.621 7.972 50 10 JKGE CCCCO[C@@H]1[C@@H](Br)C[C@@H]1Oc1cc(Cl)c(C)cc1I 2361703696 OGBICQCQHJITMZ-NZVBXONLSA-N 473.576 5.353 50 10 JKGE FC1(F)[C@H]2CCC[C@@H]1C[C@H]([C@@H](Cl)c1sc(Cl)cc1I)C2 2364120724 ZKNSXMRNLOXDPV-JXVAYASWSA-N 451.147 6.748 50 10 JKGE COc1c(Br)cc(C)c([C@H](Br)[C@@H]2C[C@H]2C(C)(C)C)c1Br 2365188045 HKDDNMSULUHNDC-GIPNMCIBSA-N 469.055 6.647 50 10 JKGE Cc1cc(C)c(C)c([C@@H](Br)c2ccc(Cl)cc2I)c1C 2365598453 QOKBVNTTWYUNED-KRWDZBQOSA-N 463.584 6.663 50 10 JKGE COc1cc([C@@H](Cl)c2c(F)cc(Br)c(F)c2Br)sc1Cl 2365839774 DWMVBFAOJVRQPQ-SNVBAGLBSA-N 466.956 6.542 50 10 JKGE Clc1ccc(CN2CC[C@@H]3CC[C@@H](Br)C[C@H]3C2)c(I)c1 2366723035 FULMEZDYFLPCMU-FPMFFAJLSA-N 468.604 5.330 50 10 JKGE O=C(N[C@@H](CCBr)COCc1ccccc1)C1CCC(CC(F)(F)F)CC1 2381925514 SURPOQBAKHMEFC-VJFUWPCTSA-N 450.339 5.232 50 10 JKGE O=C(Cc1csc(-c2ccc(C(F)(F)F)cc2)n1)NNC(=O)CC12CC3CC(CC(C3)C1)C2 25235234 AMTQGMVWTUDASF-UHFFFAOYSA-N 477.552 5.125 50 10 JKGE COc1ccccc1/C(C#N)=C\c1ccc(OC(=O)CC(c2ccccc2)c2ccccc2)cc1 31900487 ILCBUNMFWWVILO-QOMWVZHYSA-N 459.545 6.887 50 10 JKGE O=C(CSc1nc2ccccc2s1)N/N=C\c1ccccc1OCc1ccc(Cl)cc1 32519884 TXYHGJXCGGJZPH-MXAYSNPKSA-N 468.003 5.771 50 10 JKGE N#C/C(=C/c1ccc(OCc2cccc(Br)c2)cc1)S(=O)(=O)c1ccccc1 33308902 NQCGZMZECMOVGQ-HMAPJEAMSA-N 454.345 5.366 50 10 JKGE C=CCOc1ccc(C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@H]3c2ccc(Cl)c(Cl)c2)cc1 38655896 ZBTDWSJOKOEPRW-DEOSSOPVSA-N 493.346 5.996 50 10 JKGE CCc1ccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)COc4ccc(Cl)c(C)c4)ccc32)cc1 38677363 AVHWLBMWERMSHF-SANMLTNESA-N 474.944 5.413 50 10 JKGE CCCCCOc1ccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4cccs4)ccc32)cc1 38685371 UYSUDSUNKCJSHN-DEOSSOPVSA-N 460.555 5.754 50 10 JKGE N#CC1=C(N)Oc2cc(OC(=O)c3ccco3)ccc2[C@@H]1c1ccc(OCc2ccc(Cl)cc2)cc1 38686362 JBSFJYPGAHWLKW-SANMLTNESA-N 498.922 5.949 50 10 JKGE COc1cc(/C=N/NC(=O)COc2ccc(C(C)C)c(C)c2)ccc1OCc1ccccc1C 40911571 AIXSNHPEASIPDZ-MUFRIFMGSA-N 460.574 5.544 50 10 JKGE CCOc1ccc(/C=C(\C#N)C(=O)N(c2cc(C)ccc2C)S(=O)(=O)c2ccccc2)cc1OC 40977740 HPKDSTQDYPFHLT-CJLVFECKSA-N 490.581 5.040 50 10 JKGE C=CCc1cc(/C=N\NC(=O)CC[C@H](O)c2ccccc2)ccc1OCc1ccc(Cl)cc1 58891721 FOVXRAKSJXMSRN-CIGKTAFOSA-N 462.977 5.611 50 10 JKGE Cc1ccc(S(=O)(=O)Oc2ccccc2/C=N/NC(=O)[C@H](C)c2ccc(CC(C)C)cc2)cc1 59165358 KFWSVJGZPSYHJQ-YFHGFKKUSA-N 478.614 5.215 50 10 JKGE N#C/C(=C\Nc1ccc(F)cc1)c1nc(-c2cc3cc(Br)ccc3oc2=O)cs1 100417270 FIDGGLMRFUOYRJ-JLHYYAGUSA-N 468.307 5.795 50 10 JKGE Cc1ccc(OCCn2cc(/C=C(/C#N)C(=O)Nc3nc4ccccc4s3)c3ccccc32)cc1 102443754 OISRHKJGGVSXIW-SILNSSARSA-N 478.577 6.184 50 10 JKGE CCCOc1ccccc1/C=C(/C#N)C(=O)Nc1scc(-c2ccc(C)cc2)c1C(=O)OCC 108748136 GSQHDGNSFORMRQ-QNGOZBTKSA-N 474.582 6.235 50 10 JKGE Clc1ccc(C[C@@H](Br)c2csc(I)c2)cc1Cl 123485038 HLTLVXFYILKQBG-SECBINFHSA-N 461.977 6.338 50 10 JKGE FC(F)Oc1ccc([C@H](Br)c2cc(Br)c(Br)s2)cc1 128277092 WSTKLJXKKCOJNP-JTQLQIEISA-N 476.962 6.359 50 10 JKGE COc1cc(/C=C(/C#N)c2ccccc2)ccc1OC(=O)c1ccccc1CCc1ccccc1 197630471 BUYJQDGLAUJYJA-OOAXWGSJSA-N 459.545 6.764 50 10 JKGE Fc1cc(CBr)cc(F)c1Oc1ccc(Br)cc1Br 218321116 MAOQJVCQNQZYBX-UHFFFAOYSA-N 456.906 6.177 50 10 JKGE Cl[C@@H](c1cc(Br)ccc1I)c1csc2ccccc12 236030959 DUWRMKUPJUANBU-HNNXBMFYSA-N 463.565 6.597 50 10 JKGE Clc1ccc(I)c([C@@H](Cl)c2cc(Br)cc3c2OCC3)c1 236039367 IVXMAOGMKVXYGA-CQSZACIVSA-N 483.958 5.970 50 10 JKGE Fc1ccc([C@@H](Br)c2cc(Br)ccc2I)cc1F 236170978 DMRUQFFYMICDKY-CYBMUJFWSA-N 487.907 5.816 50 10 JKGE Fc1ccc([C@@H](Br)c2sccc2Br)c(I)c1 236184146 STCLDUXFQZIKTR-SNVBAGLBSA-N 475.946 5.739 50 10 JKGE O=C(CCCCC(=O)NN=Cc1cccc2ccccc12)NN=Cc1cccc2ccccc12 254292074 GXIKXKFOBBSRLO-UHFFFAOYSA-N 450.542 5.154 50 10 JKGE Cc1ccc(-c2nnc(SCC(=O)NN=Cc3sccc3C)n2-c2ccc(C)cc2)cc1 254899147 WMNOPRPNYAAPEV-UHFFFAOYSA-N 461.616 5.163 50 10 JKGE COc1ccc(Br)cc1[C@H](Br)c1sc(C)cc1Br 310625447 JWCCCZIHBMFPEP-LBPRGKRZSA-N 455.009 6.074 50 10 JKGE C[C@@H]([C@H]1CCN(Cc2ccccc2)C1)n1c(CCl)nc2cc(Br)c(F)cc21 312482891 IUUOLHVGYJHYKB-HOCLYGCPSA-N 450.783 5.760 50 10 JKGE Fc1cc(Br)ccc1[C@@H](Br)c1scc(C(F)(F)F)c1Br 380231470 LTOGXQHYKLNZNQ-SECBINFHSA-N 496.943 6.915 50 10 JKGE Brc1cccc([C@H]2CN(Cc3ccccc3)C[C@@H]2CI)c1 382699196 WAEOOIUFKWDUCP-FUHWJXTLSA-N 456.165 5.100 50 10 JKGE C[C@@H](Cl)c1nc2cc(I)ccc2n1CCN(C)Cc1ccccc1 386937420 VACFZHLCJIMREV-CQSZACIVSA-N 453.755 5.073 50 10 JKGE Cc1cc([C@H](Br)c2cc(Br)c3c(c2)CCCO3)sc1Br 709710863 RLDOJBJWZGOPPW-CYBMUJFWSA-N 481.047 6.391 50 10 JKGE CN(CC1CCN(Cc2ccccc2)CC1)c1ccc(CBr)cc1Br 720016229 HRHXIVVBGGKHTD-UHFFFAOYSA-N 466.261 5.692 50 10 JKGE C[C@H]1Cc2cc(Br)cc([C@H](Br)c3cccc(Br)c3)c2O1 720052714 OOJBSOMDRJRSAD-BJOHPYRUSA-N 460.991 6.019 50 10 JKGE Fc1cc(F)c(F)c([C@H](Cl)c2ccc(I)c(Br)c2)c1F 721608307 GLXMXQUBQHRXSQ-LLVKDONJSA-N 479.436 5.938 50 10 JKGE Cc1cc(Br)c([C@@H](Br)c2cccc(F)c2I)s1 721673444 SYTGNRTUGGBBIP-JTQLQIEISA-N 489.973 6.047 50 10 JKGE CCOc1ccc([C@H](O)CCC(=O)NN=Cc2cc(C)n(-c3cccc(Br)c3)c2C)cc1 1084195317 IQWAFLJTNKMFLF-XMMPIXPASA-N 498.421 5.219 50 10 JKGE Cc1ccccc1C(=O)NN=C1CCCc2oc(C(=O)Nc3ccccc3C(F)(F)F)c(C)c21 1772743917 NWZOWWANIBIWSB-UHFFFAOYSA-N 469.463 5.638 50 10 JKGE Cc1ccc(Cl)cc1NC(=O)c1oc2c(c1C)C(=NNC(=O)c1ccc([N+](=O)[O-])cc1)CCC2 1772745271 VIVANYIVEOCBQJ-UHFFFAOYSA-N 480.908 5.181 50 10 JKGE Cc1c(C(=O)NCc2ccccc2)oc2c1C(=NNC(=O)c1ccc(-c3ccccc3)cc1)CCC2 1772747435 OQCHVFLKUJYFTM-UHFFFAOYSA-N 477.564 5.655 50 10 JKGE CCOc1ccc2ccccc2c1C=NNC(=O)COc1ccc(Br)cc1CC 1772755390 DXVYJRDPKBXKSW-UHFFFAOYSA-N 455.352 5.093 50 10 JKGE N#CSc1ccc(NC(=O)Nc2ncccc2OCC(=O)Nc2ccc(F)c(Cl)c2)cc1 1858831965 LXCRGPOOPCYYHF-UHFFFAOYSA-N 471.901 5.109 50 10 JKGE CCCc1nn(Cc2cc(C)ccc2C)c2c1[C@@H](c1ccc(Cl)cc1Cl)C(C#N)=C(N)O2 1865685376 HTISULOHASSPIH-QFIPXVFZSA-N 467.400 6.026 50 10 JKGE CCCCCOc1ccc([C@@H]2C(C#N)=C(N)Oc3c2c(CCC)nn3Cc2cc(C)ccc2C)cc1 1865689748 DTFZJUYUNHCLTF-HHHXNRCGSA-N 484.644 6.288 50 10 JKGE CCOc1ccc([C@@H]2C(C#N)=C(N)Oc3c2c(-c2ccccc2)nn3-c2ccc(Cl)cc2)cc1 1865693915 MULWGTSBMOAXTH-HSZRJFAPSA-N 468.944 5.810 50 10 JKGE CCCCCCOc1ccc([C@@H]2C(C#N)=C(N)Oc3c2c(C)nn3Cc2ccccc2F)cc1OC 1865696921 UIXLMJBBGFNEKJ-AREMUKBSSA-N 490.579 5.565 50 10 JKGE N#CC1=C(N)Oc2c(c(C(F)(F)F)nn2Cc2cccc(Cl)c2)[C@@H]1c1ccc(F)cc1F 1865702139 NQFYVESIGZGQPN-MRXNPFEDSA-N 466.797 5.100 50 10 JKGE CCCOc1ccccc1[C@@H]1C(C#N)=C(N)Oc2c1c(CCC)nn2-c1cccc2ccccc12 1865702878 HJPKXYQXHFYCMP-AREMUKBSSA-N 464.569 5.985 50 10 JKGE CCn1nc(-c2ccccc2)c2c1OC(N)=C(C#N)[C@H]2c1ccc(OC(=O)c2ccccc2)c(OC)c1 1865704725 CPAJEDUJYWSIKX-XMMPIXPASA-N 492.535 5.016 50 10 JKGE Cc1ccc(C)c(Cn2nc(C(F)(F)F)c3c2OC(N)=C(C#N)[C@H]3c2ccccc2OC(C)C)c1 1865705331 SMFSCGQBUSXEKZ-OAQYLSRUSA-N 482.506 5.572 50 10 JKGE CCn1c(/C(C#N)=C/c2ccc(OCc3ccc(Cl)cc3Cl)c(OC)c2)nc2ccccc21 1872731381 YNERGWICMMPRIM-XDHOZWIPSA-N 478.379 7.015 50 10 JKGE CC(C)[C@@H](/C(O)=C(\C#N)c1nc(-c2cccc3ccccc23)cs1)N1C(=O)c2ccccc2C1=O 1872752302 VRUCQEJBMGOKCF-JRURIKFDSA-N 479.561 6.077 50 10 JKGE Cc1cc(C)c(-c2csc(/C(C#N)=C(\O)c3ccc4c(c3)C(=O)N(C(C)(C)C)C4=O)n2)c(C)c1 1872756862 DXTAHFBCJJJGLM-ATJXCDBQSA-N 471.582 6.080 50 10 JKGE COc1c(C)cc(Cl)cc1-c1csc(/C(C#N)=C(\O)Cc2ccc(Cl)c(Cl)c2)n1 1872757019 MLWDUHZGJMBLKH-CYVLTUHYSA-N 465.789 7.123 50 10 JKGE COc1ccc(-c2csc(/C(C#N)=C(\O)c3cc([N+](=O)[O-])cc([N+](=O)[O-])c3)n2)c2ccccc12 1872758858 UGERAUWFXQOHPG-QOCHGBHMSA-N 474.454 5.738 50 10 JKGE CCOc1cc(/C=C(\C#N)c2nc(-c3cccc(Cl)c3)cs2)ccc1OCC(=O)N(CC)CC 1872790238 UGCUFHJXPBKPIL-UDWIEESQSA-N 496.032 6.174 50 10 JKGE COc1cc(/C=C(\C#N)c2nc(-c3ccc(C)cc3C)cs2)cc(Br)c1OC(C)C 1872790444 IYLOTNDMBDWELH-GIJQJNRQSA-N 483.431 7.049 50 10 JKGE CCOc1cc(/C=C(\C#N)c2nc(-c3cc(C)ccc3OC)cs2)ccc1OCc1ccccc1C 1872791455 IIKGWBWIEZDBEM-BUVRLJJBSA-N 496.632 7.477 50 10 JKGE COc1ccc(Cl)cc1N1C[C@@H](/C(O)=C(\C#N)c2nc(-c3ccc(F)cc3F)cs2)CC1=O 1872818077 LVXQLLSCIPISCR-VVDDJIQESA-N 487.915 5.596 50 10 JKGE CC[C@H](Cl)CN(Cc1ccccc1)C(=O)c1cccc(Br)c1Br 1915096661 LPLPOGRUVSXIJC-AWEZNQCLSA-N 459.609 5.871 50 10 JKGE Brc1cc(Br)c([C@H](Br)c2ccc3c(c2)COCC3)s1 1922907328 SIFXFHVSQFXUEE-CYBMUJFWSA-N 467.020 5.830 50 10 JKGE CC[C@H](C[C@H](Br)c1c(Br)sc(Br)c1Cl)C(C)(C)C 1923061096 HRSLWWROVXACBH-SFYZADRCSA-N 481.519 7.825 50 10 JKGE C[C@@H]1C[C@@H]2C[C@@H]2C[C@H]1[C@@H](Br)c1c(Br)sc(Br)c1Cl 1923065820 HTJMQLWDPLFSHG-VRRGKTLJSA-N 477.487 7.045 50 10 JKGE Fc1ccc(C[C@@H](Br)c2c(Br)sc(Br)c2Cl)c(F)c1 1923067523 DNOANTVMJGLJBL-SSDOTTSWSA-N 495.408 6.883 50 10 JKGE Brc1cnccc1C[C@H](Br)c1ccccc1I 1924042888 FNHQONJBPASOKN-NSHDSACASA-N 466.942 5.127 50 10 JKGE FC(F)(F)C[C@H](Br)c1c(Br)sc(Br)c1Br 1924575669 DFNYOPRCPOVWDL-REOHCLBHSA-N 495.778 6.424 50 10 JKGE CC(F)(F)C1([C@H](Cl)c2c(Br)sc(Br)c2Br)CC1 1924608403 HRIKAYFICVOTSJ-ZCFIWIBFSA-N 473.402 6.751 50 10 JKGE Clc1sc(Cl)c([C@@H](Br)c2cccc(I)c2)c1Cl 1925567123 AJARJIOPDABNNA-QMMMGPOBSA-N 482.395 6.797 50 10 JKGE C[C@@]1(CI)CC[C@@H](c2cc(Br)ccc2Br)O1 1935888815 IIIUBTPPXPKFNB-RYUDHWBXSA-N 459.947 5.257 50 10 JKGE CC(C)(C)OC(=O)Nc1c(Br)cc(Br)cc1[C@@H](Br)CF 1952040688 PREISJQCQDSTSH-JTQLQIEISA-N 475.978 5.964 50 10 JKGE CCOc1ccc([C@@H](Br)c2sncc2Br)cc1Br 2028524138 JNCFCLVVHWXGLC-LLVKDONJSA-N 455.997 5.551 50 10 JKGE Cc1cc(Br)c(F)c([C@H](Cl)c2cc(Br)c(Br)s2)c1 2028923205 HMFFHXSIBGSQCW-JTQLQIEISA-N 477.418 6.811 50 10 JKGE CN(C(=O)c1csc(Br)c1Br)[C@@H]1CCCC[C@H]1Br 2032954168 XZYMBVCPMCPONB-RKDXNWHRSA-N 460.029 5.051 50 10 JKGE Fc1cc(Cl)c(Br)cc1[C@H](Br)c1cccc(Br)c1Cl 2097836022 WPDCEEIJMUYUSC-GFCCVEGCSA-N 491.807 7.142 50 10 JKGE FC1(F)C[C@]12CCC[C@H]([C@@H](Br)c1cc(Br)sc1Br)C2 2099910967 IOEJAUFLMBWYIM-HNBZJPLGSA-N 479.022 6.925 50 10 JKGE BrCc1cc(Br)cc(Br)c1OC[C@H]1CCC2(CC2)C1 2112616156 QDKSOYMSBWZNST-JTQLQIEISA-N 453.012 6.066 50 10 JKGE Clc1ccc(CC[C@H](Br)c2cccc(Br)c2)c(Br)c1 2113485808 WWVHIJYZEPVKPE-AWEZNQCLSA-N 467.426 6.934 50 10 JKGE COc1cc(Br)c([C@@H](Br)c2cc(Br)sn2)cc1OC 2120042513 YDOCMCYMUNNZEN-GFCCVEGCSA-N 471.996 5.170 50 10 JKGE BrC[C@@H]1C[C@@H]2CC[C@H](C1)N2Cc1cccc(Br)c1Br 2128151149 CJAQAIBAXFNHCL-LMKPVCQUSA-N 452.028 5.350 50 10 JKGE Clc1ccc(I)c(CN2[C@H]3CC[C@@H]2C[C@H](CBr)C3)c1 2128157842 DLBDRSXGJWDBEF-ZOZIMZAQSA-N 454.577 5.083 50 10 JKGE BrC[C@@H]1C[C@@H]2CC[C@H](C1)N2Cc1cc(Br)ccc1Br 2128159272 SOAGXRDIXXICNZ-ZOZIMZAQSA-N 452.028 5.350 50 10 JKGE CC(C)(C)[C@H]1[C@@H](Br)CCN1Cc1ccc(Br)cc1Br 2128675906 LBXGITPKLWISOS-GXTWGEPZSA-N 454.044 5.596 50 10 JKGE CO[C@@H]1CC[C@@H](C(CBr)(CBr)c2ccc(Br)cc2)C1 2130615642 AECZFRCIDGWMTN-TZMCWYRMSA-N 455.028 5.292 50 10 JKGE FC1(F)[C@H]([C@H](Br)c2ccc(Br)cc2Br)C12CCCC2 2138864221 NYJMKYFKRJNAKE-VXGBXAGGSA-N 458.966 6.473 50 10 JKGE Fc1cc(Cl)c([C@H](Br)c2cccc(F)c2I)cc1Cl 2139427618 ZJUZJEQMLJDREN-GFCCVEGCSA-N 477.901 6.361 50 10 JKGE O=C(N[C@H]1CCCC[C@@H]1CCBr)c1cccc(Br)c1Br 2148749070 BAFDXQLDWSDSAF-MFKMUULPSA-N 468.027 5.285 50 10 JKGE C[C@@H](Cl)c1nc2cc(Cl)c(Br)cc2n1C[C@H]1CCN(Cc2ccccc2)C1 2168997892 CRINENJNRJSYGQ-ZBFHGGJFSA-N 467.238 6.274 50 10 JKGE CCc1nc([C@@H](Cl)c2cc(I)cc3c2OCC3)c(Br)s1 2169488339 PVRZOQGNDIFIMB-NSHDSACASA-N 484.584 5.336 50 10 JKGE CC1(C)CC([C@@H](Cl)c2c(Br)sc(Br)c2Cl)CC(C)(C)C1 2193418019 CQQQTQYMGAWVFQ-SNVBAGLBSA-N 463.106 8.059 50 10 JKGE CC(C)(C)C[C@@H](CCl)CNC(=O)c1ccc(Br)cc1I 2207267999 PDUOLMPTABWOJJ-JTQLQIEISA-N 472.592 5.075 50 10 JKGE CO[C@@H]1CC[C@@H]1[C@H](Br)c1c(Br)sc(Br)c1Cl 2211337490 KRTXBBKMXWGNBW-BFHQHQDPSA-N 453.421 5.788 50 10 JKGE Cc1cc([C@@H](Cl)c2cc(Br)c(Br)s2)cc(C)c1Br 2220200720 XFEQGPATKAADSH-GFCCVEGCSA-N 473.455 6.981 50 10 JKGE CCc1nn(C)c([C@H](Br)c2sc(Br)cc2Br)c1Cl 2224020034 FIAKSONORFUMGM-QMMMGPOBSA-N 477.447 5.707 50 10 JKGE Cn1ncc(Cl)c1[C@@H](Br)c1c(Br)cc(Cl)c(Cl)c1Cl 2224312658 QTGFRDVNFLZJOX-QMMMGPOBSA-N 467.803 6.281 50 10 JKGE CC(C)(CC(F)(F)F)[C@@H](Br)c1c(Br)cc(Cl)c(Cl)c1Cl 2232519568 KYGQLURZZAEIIB-JTQLQIEISA-N 477.373 7.824 50 10 JKGE C[C@@]1(Cn2c(CCl)nc3c(F)cc(Br)cc32)CCCN1Cc1ccccc1 2232927523 GTBRATGWAINVJN-NRFANRHFSA-N 450.783 5.731 50 10 JKGE Cc1cc2nc([C@@H](C)Cl)n(C[C@H]3CC3(Br)Br)c2cc1Br 2233040268 OMZMFZSHHMCBFF-RKDXNWHRSA-N 485.445 5.913 50 10 JKGE Cc1cc(Br)c([C@@H](Cl)c2sccc2I)c(C)c1F 2253505752 SYIPBIZJXCMVTO-LLVKDONJSA-N 459.549 6.199 50 10 JKGE CCc1cc([C@H](Cl)c2cccc(F)c2I)sc1Br 2256065537 UIUONAGFGOUASM-LLVKDONJSA-N 459.549 6.145 50 10 JKGE COc1ccc([C@@H](Br)c2cccc(Cl)c2F)cc1I 2269554497 FGYAOOIDULXJHU-CYBMUJFWSA-N 455.492 5.577 50 10 JKGE Fc1cc(Br)c(Br)cc1[C@H](Br)[C@@H]1CCC[C@@H]1C(F)F 2270154881 KSVQUAGLOCVIPI-KEHGIVTQSA-N 464.945 6.468 50 10 JKGE CC12CC([C@H](Br)c3c(F)cc(Br)c(F)c3Br)(CO1)C2 2272839784 GYWHDULJCRUPHH-PNESKVBLSA-N 460.938 5.495 50 10 JKGE Brc1cc(Br)cc(C[C@@H](Br)[C@H]2CCCCC23CC3)c1 2277947686 JBDDOHDAPDOSPD-HUUCEWRRSA-N 451.040 6.488 50 10 JKGE Brc1cc(Br)cc(C[C@@H](Br)[C@@]23CCC[C@@H](C2)OC3)c1 2277951965 BVJVPIFDIBVQQQ-ZNMIVQPWSA-N 453.012 5.477 50 10 JKGE Fc1cc(Br)c(F)c(Br)c1[C@H](Br)[C@H]1COC2(CCC2)C1 2288352799 HRJMYAWCTOGGGF-RDDDGLTNSA-N 474.965 5.885 50 10 JKGE COc1ccc(-c2nn(-c3ccccc3)cc2C=C(C#N)c2nc(-c3cccs3)cs2)cc1 2297369385 RKLRCOBYKNJQIG-UHFFFAOYSA-N 466.591 6.797 50 10 JKGE Clc1cccc([C@H](Br)c2cc(Br)ccc2OCc2ccccc2)c1 2299495609 RFCYVCGATYJJGQ-FQEVSTJZSA-N 466.600 7.166 50 10 JKGE N#CC(=Cc1ccc(OCc2ccc(Cl)cc2)cc1)C(=O)N1CCN(c2ccccc2)CC1 2313545922 OACMRILOZAPIBG-UHFFFAOYSA-N 457.961 5.175 50 10 JKGE COC[C@@]1([C@@H](Br)c2ccc(OCc3ccccc3)cc2Br)CCCO1 2314454073 CIMDHFPRMCHJNR-VQTJNVASSA-N 470.201 5.660 50 10 JKGE CCOC(=O)c1c(NC(=O)C(C#N)=Cc2ccc(OC)c(OC(C)C)c2)sc2c1CC[C@H](C)C2 2314571626 ITMMUEYPLNYXFW-INIZCTEOSA-N 482.602 5.391 50 10 JKGE CNC(=O)C(C#N)=C1S[C@H](Cc2cc(Cl)cc(Cl)c2)C(=O)N1c1ccc(C(C)C)cc1 2314593939 WEQFKJNHYISARP-HXUWFJFHSA-N 474.413 5.289 50 10 JKGE CCOC(=O)C(C#N)=Cc1ccc(OC(=O)COc2ccc(C(C)(C)c3ccccc3)cc2)c(OC)c1 2314737418 IROQUFTZCDHCOG-UHFFFAOYSA-N 499.563 5.476 50 10 JKGE C[C@@H]1CCO[C@@H]1[C@H](Br)c1c(Cl)cc(Br)c(F)c1Br 2315449849 VMFAFBLULINQQJ-UPIQZJOZSA-N 465.382 5.865 50 10 JKGE Cc1sc(Br)c(C)c1[C@H](Br)c1c(Br)nc(C)n1C 2315598116 AJRZWTPTPFUWJZ-VIFPVBQESA-N 457.029 5.416 50 10 JKGE Fc1cc(F)c([C@@H](Br)c2cnsc2Br)c(F)c1Br 2315619857 NRGCZZWMKZWTMW-ZETCQYMHSA-N 465.914 5.570 50 10 JKGE Clc1cc(I)c([C@H](Br)[C@]23CCCC[C@@H]2CCC3)s1 2316601477 SYZYLZGNWPVTMT-IIMNLJJBSA-N 459.618 6.803 50 10 JKGE Cc1cc(Br)c(F)c(Br)c1[C@H](Br)[C@@H](C)C(F)(F)F 2317403342 NJJVZGWVLWPTMC-SVGQVSJJSA-N 456.897 6.294 50 10 JKGE CC(C)(C)[C@@H]1CC[C@H]1[C@H](Cl)c1c(Br)sc(Br)c1Br 2320102883 VKAWEGMMVTZFTB-XSSZXYGBSA-N 479.503 7.388 50 10 JKGE COc1ccc(C=C(C(=O)NNC(=O)c2ccc(-c3ccc(F)cc3F)nc2C)c2ccccc2)cc1 2321157653 REDADMDPFYWEHZ-UHFFFAOYSA-N 499.517 5.346 50 10 JKGE Cc1nc(-c2ccc(Cl)cc2Cl)ccc1C(=O)NN=Cc1ccccc1C(F)(F)F 2321242219 UIYSKSCWCJPGQM-UHFFFAOYSA-N 452.263 6.147 50 10 JKGE BrC[C@H](COCc1ccc(I)c(Br)c1)CC1CC1 2325382094 RLNSZMNHVRNJCZ-GFCCVEGCSA-N 488.001 5.382 50 10 JKGE CCOc1cc(C=C(C#N)c2cc3c(cc2[N+](=O)[O-])OCCO3)ccc1OCc1ccc(C)cc1 2331051353 DCMSPZYNEXIMMZ-UHFFFAOYSA-N 472.497 5.716 50 10 JKGE COc1cc(C=CC(O)=C(C#N)c2nc(-c3ccc([N+](=O)[O-])cc3)cs2)cc(OC)c1OC 2331281236 XFYRCWSGVPMFDE-UHFFFAOYSA-N 465.487 5.250 50 10 JKGE COc1ccc(C)cc1-c1csc(C(C#N)=C(O)C=Cc2ccc(OCc3ccccc3)cc2)n1 2331323617 LMSZOWIZVDLUBF-UHFFFAOYSA-N 480.589 7.212 50 10 JKGE Cc1ccccc1OCCCC(O)=C(C#N)c1nc(-c2ccc(Oc3ccccc3)cc2)cs1 2331358916 DPAMUEXXQZMWKU-UHFFFAOYSA-N 468.578 7.563 50 10 JKGE COc1c(C)cc(Cl)cc1-c1csc(C(C#N)=C(O)c2ccc(Cl)c(Cl)c2)n1 2331391888 RVOKRZCESRYRLH-UHFFFAOYSA-N 451.762 7.037 50 10 JKGE N#CC(=C(O)C(c1ccccc1)c1ccccc1)c1nc(-c2cc(Cl)ccc2Cl)cs1 2331403688 AIVSBJOTRNUFHE-UHFFFAOYSA-N 463.389 7.742 50 10 JKGE COc1ccc(-c2csc(C(C#N)=C(O)C=Cc3ccc([N+](=O)[O-])cc3)n2)c2ccccc12 2331408141 CIILNPVCEVYHHI-UHFFFAOYSA-N 455.495 6.386 50 10 JKGE C[C@@]1([C@@H](Br)c2ccc(OCc3ccccc3)cc2Br)CCCCC1(F)F 2336077074 FECHVUKLNTYEKC-PMACEKPBSA-N 488.210 7.680 50 10 JKGE Fc1c(Br)cc(Cl)c([C@H](Cl)c2cccc(Br)c2)c1Br 2337099170 VBIKPQVYJVOPLE-GFCCVEGCSA-N 491.807 7.095 50 10 JKGE COc1cc(OC)c([C@@H](Br)c2cnsc2Br)cc1Br 2337337147 OPTHTXNNRWKZHG-LLVKDONJSA-N 471.996 5.170 50 10 JKGE COc1c(Br)cc(C)c([C@@H](Cl)c2ccsc2Br)c1Br 2339640001 SZYCAKHYKNLYNS-NSHDSACASA-N 489.454 6.681 50 10 JKGE COc1c(Br)cc(C)c([C@@H](Br)c2ccc(Cl)s2)c1Br 2339652331 YGLQNESAVZKIKG-NSHDSACASA-N 489.454 6.728 50 10 JKGE Cc1cc(Br)c(F)c(Br)c1[C@@H](Br)c1nn(C)cc1Cl 2339655225 XVMQVZZAYZWJLP-SNVBAGLBSA-N 475.381 5.530 50 10 JKGE CCCC1([C@H](Br)c2c(C)cc(Br)c(F)c2Br)CCC1 2339686646 ZTIVEZUEVQYISN-CQSZACIVSA-N 457.019 7.066 50 10 JKGE Cc1c(F)ccc([C@@H](Br)c2ccc(Cl)cc2I)c1F 2340067101 YAXJEJJUXSIKRA-ZDUSSCGKSA-N 457.483 6.016 50 10 JKGE C[C@H](CBr)[C@H]1CCCCN1Cc1ccc(Cl)cc1I 2341047155 WQYDRFMQNWJXBL-IAQYHMDHSA-N 456.593 5.330 50 10 JKGE ClCc1cc(OCc2cc(I)ccc2Br)ncc1Cl 2341551877 IHZDMIBLLIZLJH-UHFFFAOYSA-N 472.935 5.420 50 10 JKGE C[C@@H](Br)CN(C(=O)c1cc(Br)c(Br)s1)C1CCCC1 2342917482 FLUGSWPNYFMGGK-MRVPVSSYSA-N 474.056 5.441 50 10 JKGE COC(C)(C)C1([C@@H](Br)c2cc(Br)c(Br)cc2F)CC1 2343532319 MKEZVROOYBRQIS-LBPRGKRZSA-N 458.991 5.992 50 10 JKGE Brc1cc(CN2C[C@@H](Br)C3(CCCC3)C2)ccc1I 2349825761 RRECFVPDEQRNNW-CQSZACIVSA-N 499.028 5.193 50 10 JKGE Cc1cc(Br)c([C@@H](Br)[C@H]2C[C@@H]3O[C@H]2[C@H]2C[C@@H]32)c(C)c1Br 2358672679 AYRGRBZMZIZLOH-TUHUFKNRSA-N 465.023 5.688 50 10 JKGE Fc1c(CNCC(F)(F)C(F)(F)CI)ccc(Cl)c1Br 2361679155 IXEYNMNYAYJVPH-UHFFFAOYSA-N 492.451 5.037 50 10 JKGE Cc1cc(I)c(Oc2ccc(F)c(Cl)c2CBr)cc1Cl 2361700568 AVSURBNVIHBLOI-UHFFFAOYSA-N 489.937 6.733 50 10 JKGE Fc1c(Br)cc(Cl)c([C@H](Br)C2CC3(CCOC3)C2)c1Br 2362222020 ADMBVUMSEHKEDY-MIJJTYSQSA-N 491.420 6.257 50 10 JKGE COC1([C@@H](Cl)c2c(Cl)cc(Br)c(F)c2Br)CC(CF)C1 2362222854 GWCLLXWYVNPFJQ-BZCBFNEHSA-N 452.948 6.049 50 10 JKGE CC1CCC2(CC1)[C@@H](Oc1cc(Br)cc(I)c1)C[C@H]2Cl 2364105972 GGBWXRAJJHDTBA-YNOKFWAISA-N 469.588 6.009 50 10 JKGE COc1c(Br)cc(C)c([C@@H](Br)[C@H]2[C@H]3COCC[C@H]32)c1Br 2365215627 MBSYANYZEAXCIH-OTMMVIPVSA-N 469.011 5.247 50 10 JKGE COc1c(Br)cc(C)c([C@H](Br)[C@@H]2CC[C@@H](OC)C2)c1Br 2365216155 RHHCTAKOWSULFW-GIPNMCIBSA-N 471.027 5.780 50 10 JKGE C[C@](CI)(OC[C@@H]1C[C@]12CC2(F)F)c1ccccc1Br 2380603363 VHIQUDZQFKZKTJ-GDLCADMTSA-N 457.096 5.161 50 10 JKGE CC(C)C[C@H](CBr)CN=[S@](=O)(CCNC(=O)OC(C)(C)C)c1ccccc1 2382176572 WTDDUACOELNPBX-CRYYWNKWSA-N 461.466 5.095 50 10 JKGE CCOc1ccc2ccccc2c1/C=N/NC(=O)COc1ccc(C(C)(C)CC(C)(C)C)cc1 3145747 BPUMPYKBUDYSIH-UXHLAJHPSA-N 460.618 6.481 50 10 JKGE CCSc1sc(CC)cc1[C@H]1C(C#N)=C(N)N(c2ccc(CC)cc2)C2=C1C(=O)CCC2 9982311 IIFPWJBOBRDOEH-QHCPKHFHSA-N 463.672 6.290 50 10 JKGE N#C/C(C(=O)Nc1ccccc1F)=C1\SC=C(c2ccc(Br)cc2)N1c1ccccc1 12273871 ITHFWTRDRASWKM-LYBHJNIJSA-N 492.373 6.514 50 10 JKGE CC(C)CCC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC[C@H]4C[C@@H](OC(=O)Cl)CC[C@]4(C)[C@H]3CC[C@@]21C 31375031 MZPORZAJWGKMGX-AYPRRHFASA-N 451.135 8.852 50 10 JKGE COc1cc(/C=C(/C#N)c2cccc(Cl)c2)ccc1OC(=O)c1ccc(-n2cccc2)cc1 31902419 HGETZWPZQJSGSF-JCMHNJIXSA-N 454.913 6.423 50 10 JKGE Cc1cccc(NC(=O)/C(C#N)=C\c2ccc(Nc3c(C)n(C)n(-c4ccccc4)c3=O)cc2)c1 33523809 NQOWQVKFIXWEQP-XLNRJJMWSA-N 463.541 5.082 50 10 JKGE COc1ccc(NC(=O)/C(C#N)=C\c2cc(Cl)ccc2OCc2ccc(C(=O)O)cc2)cc1 34767786 WKERLLAPCBTUHZ-UNOMPAQXSA-N 462.889 5.171 50 10 JKGE CC1=C(C#N)C(=O)N(Cc2cccnc2)C(=O)/C1=C/c1cn(-c2ccccc2)nc1-c1ccc(C)cc1 38606749 LTOWPPZYJZDEKT-CVKSISIWSA-N 485.547 5.035 50 10 JKGE Cc1cc(OCC(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@H]3c2ccccc2Cl)cc(C)c1Cl 38651060 WESWQTZHCLRHPI-DEOSSOPVSA-N 495.362 5.813 50 10 JKGE CCc1ccc2oc(C(=O)Oc3ccc4c(c3)OC(N)=C(C#N)[C@H]4c3ccc(C(C)C)cc3)c(C)c2c1 38687085 MRKKMLVWAFAOAW-NDEPHWFRSA-N 492.575 6.864 50 10 JKGE Cc1ccc(C(=O)N/N=C2\CCCc3oc(C(=O)N4c5ccc(F)cc5CC[C@@H]4C)c(C)c32)cc1 40804527 AKXHTCQDDIPEHX-VMRBLXROSA-N 473.548 5.487 50 10 JKGE Cc1cc(OC(=O)c2oc3c(c2C)/C(=N/NC(=O)c2cccc4ccccc24)CCC3)ccc1Cl 40813636 LGAHBJJPQGIPQJ-JJKYIXSRSA-N 486.955 6.393 50 10 JKGE Cc1c(C(=O)NCCc2ccccc2)oc2c1/C(=N/NC(=O)c1ccc(-c3ccccc3)cc1)CCC2 40822683 OZYINGPXPVWNRV-MHTZHOPKSA-N 491.591 5.698 50 10 JKGE CCCCOc1ccc(/C=C(\C#N)C(=O)Nc2scc(-c3ccc(CC)cc3)c2C(=O)OC)cc1 41013297 DVFPUYWUCMMONA-CJLVFECKSA-N 488.609 6.489 50 10 JKGE COc1ccc(Br)c(/C=N/NC(=O)c2ccc(OCc3ccc(Cl)cc3)cc2)c1 48571967 VBIAAHWAUGYQDR-DHRITJCHSA-N 473.754 5.454 50 10 JKGE COc1cc(/C=N/NC(=O)c2cc3ccccc3o2)c(Br)cc1OCc1ccccc1 59304104 DVFJHZKRGMSVGR-VULFUBBASA-N 479.330 5.547 50 10 JKGE COc1ccc(NC(=O)/C(C#N)=C/c2ccc(OCc3ccc(Br)cc3)c(OC)c2)cc1 59433088 RHGGIBDJNZXJJA-CPNJWEJPSA-N 493.357 5.591 50 10 JKGE CCOc1cc(/C=N/NC(=O)CCc2ccccc2)ccc1OC(=O)c1ccc(Cl)cc1 59922221 KCZJOOHFLWFGIH-WPWMEQJKSA-N 450.922 5.041 50 10 JKGE BrC[C@@H](Cc1ccccc1Br)Cc1sccc1Br 97186019 NGYGXXFNMWAXOU-JTQLQIEISA-N 453.037 6.069 50 10 JKGE CCCCN(C(=O)C(Cl)Cl)[C@H](CC)c1nc2ccccc2c(=O)n1-c1cccc(Cl)c1 100175462 MBTBRTWRYUFFHV-LJQANCHMSA-N 480.823 5.923 50 10 JKGE COc1ccc([C@@H](Br)c2ccc(F)cc2Br)cc1Br 109834122 AUWXMJMWMHTAPE-CQSZACIVSA-N 452.943 5.844 50 10 JKGE Clc1ccc([C@H](Br)c2cc(Br)ccc2Br)c(Cl)c1 109844335 WUBMBVSAXFJNEU-ZDUSSCGKSA-N 473.817 7.003 50 10 JKGE Cc1cc(Br)c([C@@H](Br)c2cccc(Br)c2)cc1Br 128813472 NWRCEBLENNOTBJ-AWEZNQCLSA-N 497.850 6.767 50 10 JKGE COc1cc(C)c(Br)cc1[C@H](Br)c1ccc(Br)c(C)c1 137912357 UVHWMEKXKBNGLL-MRXNPFEDSA-N 463.007 6.321 50 10 JKGE Fc1cccc(CC(CBr)(CBr)c2ccccc2)c1Br 157924031 QTASQUZRIQBXLQ-UHFFFAOYSA-N 464.998 5.859 50 10 JKGE Brc1ccc(Br)c([C@@H](Br)Cc2nc3ccccc3s2)c1 161326227 IUNPNHZHKRJKSE-LBPRGKRZSA-N 476.031 6.500 50 10 JKGE COc1cc(/C=N\NC(=O)c2c(C)ccc3ccccc23)ccc1OCc1cc(C)ccc1C 169921642 BMIFMBPTGULPQF-LQNQUEJISA-N 452.554 6.117 50 10 JKGE Cc1ccc(S(=O)(=O)/C(C#N)=C\c2cn(-c3ccccc3)nc2-c2ccc3c(c2)OCCO3)cc1C 210035073 DRAAJAYRSXOMLB-MYYYXRDXSA-N 497.576 5.266 50 10 JKGE CC[C@@H](NC(=O)/C(C#N)=C\Nc1ccc(Nc2ccccc2)cc1)c1ccc2c(c1)CCCC2 217190971 YIEHPJFCZSRLSX-HVHHJAFASA-N 450.586 6.396 50 10 JKGE COc1ccc(C)cc1NC(=O)/C(C#N)=C\Nc1ccc(-c2nc3ccc(C)cc3s2)cc1 217246882 JLCLBIMYASKGFH-CYVLTUHYSA-N 454.555 6.047 50 10 JKGE Fc1ccc([C@H](Br)c2cc(Br)cc3c2OCC3)c(Br)c1 228443632 UNISBLHFAXEPKS-AWEZNQCLSA-N 464.954 5.770 50 10 JKGE CCOc1ccc([C@@H](Cl)c2cc(Br)c(Br)s2)cc1Br 228986479 OGHZGVVXTXGPJD-GFCCVEGCSA-N 489.454 6.763 50 10 JKGE COc1cc(F)c(Br)cc1[C@@H](Cl)c1cc(Br)c(Br)s1 234875997 SHDSVHWZGLJPRY-LLVKDONJSA-N 493.417 6.512 50 10 JKGE COc1cc(F)c(Br)cc1[C@@H](Cl)c1cc(Br)cc(Br)c1 234876051 TVPMRXQLYZDDBK-AWEZNQCLSA-N 487.388 6.450 50 10 JKGE COc1ccccc1C[C@@H](Br)c1cc(I)ccc1Br 234903910 QIHIQRVHMONCKI-CQSZACIVSA-N 495.980 5.741 50 10 JKGE COc1ccc([C@@H](Br)c2cc(Cl)ccc2I)cc1Cl 234974560 BQGSKLVMBLFHOV-CQSZACIVSA-N 471.947 6.091 50 10 JKGE Cc1cccnc1C[C@@H](Br)c1cc(I)ccc1Br 235806016 NPUQGOWGNLGUJA-CYBMUJFWSA-N 480.969 5.436 50 10 JKGE Clc1cnccc1C[C@H](Br)c1cc(Br)sc1Br 236036617 QQWDDIHRENSWPI-QMMMGPOBSA-N 460.416 6.000 50 10 JKGE Fc1cc(F)c([C@H](Br)c2cc(Br)cc(Br)c2)c(F)c1 236255812 UBFVTOMBTXCDLZ-CYBMUJFWSA-N 458.897 6.113 50 10 JKGE COc1ccc(-c2cc(C(=O)NN=C(C)c3cc(C)sc3C)c3ccccc3n2)c(OC)c1 252597931 CWLGVGVFUCRZFR-UHFFFAOYSA-N 459.571 5.751 50 10 JKGE COc1ccc(C(/C=C/c2ccc3c(c2)OCO3)=NNC(=O)c2sc3ccccc3c2Cl)cc1 252620733 MKWHACMNMYFWQY-AWSDDQHESA-N 490.968 6.140 50 10 JKGE CCCCCCCCCCOc1ccc(C(=O)NN=Cc2ccc(OCCCCC)cc2)cc1 254480271 JXCWVOWVJLJZJV-UHFFFAOYSA-N 466.666 7.539 50 10 JKGE CC(=NNC(=O)CN(c1ccc(Oc2ccccc2)cc1)S(C)(=O)=O)c1ccc(C(C)(C)C)cc1 254622535 ACQARSSLXUSCSF-UHFFFAOYSA-N 493.629 5.083 50 10 JKGE CCCCCCCCCCCC(=O)NN=Cc1ccc(OC(=O)c2ccc(OCCCC)cc2)cc1 254735696 RRWSWKJGVLXPCN-UHFFFAOYSA-N 494.676 7.456 50 10 JKGE COc1cc(C=NNC(=O)COc2ccc3ccccc3c2)ccc1OCc1cccc2ccccc12 254837315 XAJFJTKQOTYZNZ-UHFFFAOYSA-N 490.559 6.110 50 10 JKGE CS(C)(=O)=N[P+](C(=NNc1ccccc1)c1ccc(F)cc1)(c1ccccc1)c1ccccc1 263626785 SUVVKALVDXALEY-UHFFFAOYSA-N 490.564 5.911 50 10 JKGE CC(=NNC(=O)[C@@H](C)Oc1ccc(Cl)cc1C)c1ccc(NC(=O)C2CCCCC2)cc1 263629104 WGIAUKHWYMWUSI-GOSISDBHSA-N 455.986 5.475 50 10 JKGE CCN(C[C@](C)(CI)OC[C@@H]1CCC[C@H](C)C1)C(=O)OC(C)(C)C 304192647 VSMFJCFYMQTPHJ-FCEWJHQRSA-N 453.405 5.280 50 10 JKGE CCN(C[C@](C)(CI)OCC1CCCCCC1)C(=O)OC(C)(C)C 304205784 JPYZHCVQMWWPKU-IBGZPJMESA-N 453.405 5.424 50 10 JKGE Fc1cccc(C(CBr)(CBr)Cc2ccc(Br)o2)c1 378973518 KYFHWGVXVUDEAA-UHFFFAOYSA-N 454.959 5.452 50 10 JKGE FC(F)(F)Sc1c(I)sc2c(CBr)cccc12 725283620 GEOMRBFIVVQOOZ-UHFFFAOYSA-N 453.086 6.013 50 10 JKGE CN(CC[c-]1cccc1P(C1=C[CH-][CH-]C=C1)C1=C[CH-][CH-]C=C1)P(c1ccccc1)c1ccccc1 1083092765 UWBMQRVHRMPIFM-UHFFFAOYSA-N 490.547 6.759 50 10 JKGE Cc1ccc(NC(=O)COc2ccc(C=NNC(=O)c3ccc(Cl)cc3Cl)cc2)cc1 1084002608 DGEHPAQETALDTA-UHFFFAOYSA-N 456.329 5.083 50 10 JKGE C=CCc1cc(C=NNC(=O)CC[C@@H](O)c2ccccc2)ccc1OCc1ccc(Cl)cc1 1084439866 FOVXRAKSJXMSRN-RUZDIDTESA-N 462.977 5.611 50 10 JKGE O=C(CC[C@@H](O)c1ccccc1)NN=Cc1ccc(-c2cc([N+](=O)[O-])c(Cl)cc2Cl)o1 1084473824 YYMLIZGROZZDEX-LJQANCHMSA-N 462.289 5.126 50 10 JKGE CCc1ccc(NC(=O)/C(C#N)=C/c2ccc(OCc3cccc(C(=O)O)c3)c(OC)c2)cc1 1084549615 MVLMJRCNZIBUAE-LPYMAVHISA-N 456.498 5.080 50 10 JKGE Cc1c(C(=O)N2c3ccc(F)cc3CC[C@H]2C)oc2c1C(=NNC(=O)Cc1ccccc1)CCC2 1772748770 NUWWHAGNAHAWFP-QGZVFWFLSA-N 473.548 5.108 50 10 JKGE CCCCOc1ccc([C@@H]2C(C#N)=C(N)Oc3c2c(-c2ccc(OC)cc2)nn3CC)cc1OCC 1865687105 JMSLUQWGMCZOIA-XMMPIXPASA-N 488.588 5.374 50 10 JKGE CCc1nn(Cc2ccccc2Cl)c2c1[C@@H](c1c(OC)ccc3ccccc13)C(C#N)=C(N)O2 1865688485 SSZJSTRZANUHTK-XMMPIXPASA-N 470.960 5.527 50 10 JKGE CCOc1ccc([C@@H]2C(C#N)=C(N)Oc3c2c(-c2ccccc2)nn3-c2ccc(Cl)cc2)cc1OC 1865694999 HODJEOCTWSRWFC-XMMPIXPASA-N 498.970 5.818 50 10 JKGE Cc1nn(Cc2ccc(Cl)c(Cl)c2)c2c1[C@H](c1cn(C)c3ccccc13)C(C#N)=C(N)O2 1865699075 KFQVWLXPWZNGFS-QFIPXVFZSA-N 464.356 5.257 50 10 JKGE CCOc1cc([C@H]2C(C#N)=C(N)Oc3c2c(C(F)(F)F)nn3CC)ccc1OCc1ccccc1C 1865702584 BQXLQUVRPVYDKZ-NRFANRHFSA-N 498.505 5.426 50 10 JKGE CCCc1nn(Cc2ccc(Cl)c(Cl)c2)c2c1[C@@H](c1ccc(OC)c(OC)c1)C(C#N)=C(N)O2 1865706733 DMJPHKKMJLYFIO-QFIPXVFZSA-N 499.398 5.426 50 10 JKGE CCCc1nn(-c2ccccc2Cl)c2c1[C@@H](c1ccc(C(F)(F)F)cc1)C(C#N)=C(N)O2 1865710602 CKMHMVGIENBWHM-IBGZPJMESA-N 458.871 5.715 50 10 JKGE N#C/C(=C\c1ccc(N2N=C(c3ccccc3)C[C@H]2c2ccccc2)cc1)c1ccccc1[N+](=O)[O-] 1872729341 DUVNGEXYVLSMJI-KXOKJJJCSA-N 470.532 7.015 50 10 JKGE CC(C)[C@H](/C(O)=C(\C#N)c1nc(-c2ccc(Cl)cc2Cl)cs1)N1C(=O)c2ccccc2C1=O 1872745123 WUAXSVDJJAOYOF-HTNUNKGTSA-N 498.391 6.230 50 10 JKGE COCCCN1C(=O)c2ccc(/C(O)=C(\C#N)c3nc(-c4ccccc4Cl)cs3)cc2C1=O 1872746475 JPPVRWHYKQYCIM-UZYVYHOESA-N 479.945 5.046 50 10 JKGE Cc1cc(-c2csc(/C(C#N)=C(\O)[C@@H](CC(C)C)N3C(=O)c4ccccc4C3=O)n2)ccc1F 1872749627 AINSWLDAPKYTMG-SXKPWUIASA-N 475.545 5.761 50 10 JKGE CC[C@@H](C)[C@H](/C(O)=C(\C#N)c1nc(-c2ccc(C)c(C)c2)cs1)N1C(=O)c2ccccc2C1=O 1872756449 KGVFROGIXIOLBB-HPTFGYCQSA-N 471.582 5.931 50 10 JKGE Cc1cc(C)c(-c2csc(/C(C#N)=C(\O)CNC(=O)c3ccc(C(C)(C)C)cc3)n2)c(C)c1 1872757287 YPYATLALUPHULN-LNVKXUELSA-N 459.615 6.256 50 10 JKGE COc1cc(/C=C(\C#N)c2nc(-c3ccc4c(c3)OCCO4)cs2)ccc1OCc1ccc(C)cc1 1872791367 HCHJXUSGPDMEIY-YDZHTSKRSA-N 496.588 6.542 50 10 JKGE COc1c(Cl)cc(-c2csc(/C(C#N)=C/c3cccc(OCc4ccccc4)c3)n2)cc1Cl 1872794743 UJADMEYDIZGEEO-KEBDBYFISA-N 493.415 7.769 50 10 JKGE ClCc1cc(Br)c(OCc2cc(Cl)sc2Cl)c(Br)c1 1883052210 HAAIYTRFGHOMKI-UHFFFAOYSA-N 465.421 6.898 50 10 JKGE Brc1cc(OCc2ccccc2)ccc1[C@H](Br)C1(Br)CC1 1886869404 JAZLQWHGFMEIKD-INIZCTEOSA-N 475.018 6.392 50 10 JKGE COc1cc(Cl)c(CBr)c(N(CCN(C)Cc2ccccc2)Cc2ccccc2)c1 1901688186 FSKDSUPTQBUDLS-UHFFFAOYSA-N 487.869 6.382 50 10 JKGE ClC[C@H](C1CC1)N(Cc1ccccc1)Cc1c(Br)cccc1Br 1915171158 WPNYBDVFGJXFKO-LJQANCHMSA-N 457.637 6.231 50 10 JKGE O=C(c1cc(Br)cc([N+](=O)[O-])c1)N(Cc1ccccc1)[C@@H](CBr)C1CC1 1915266233 XAPAPWUYHNALRN-SFHVURJKSA-N 482.172 5.173 50 10 JKGE Brc1cc(Br)c([C@@H](Br)c2sncc2Br)s1 1922881156 BQVAHBSAROGETF-ZCFIWIBFSA-N 496.869 5.976 50 10 JKGE Cc1cc(Cl)ccc1[C@@H](Br)c1sc(Br)cc1Br 1922934318 FJXFGKXWQRUKNZ-LLVKDONJSA-N 459.428 6.719 50 10 JKGE CCOc1ccc([C@H](Br)c2sc(Br)cc2Br)cc1 1922946406 QSQAYHOMWFUXDN-LBPRGKRZSA-N 455.009 6.156 50 10 JKGE C[C@H](C[C@@H](Cl)c1c(Br)sc(Br)c1Br)C(F)(F)F 1924614132 WQUAUDSQPAPQFI-QWWZWVQMSA-N 479.381 6.904 50 10 JKGE Brc1sc(Br)c([C@H](Br)C2[C@@H]3CC[C@@H]23)c1Br 1958608313 QCXQATAKYZNXLP-XAQAVTJOSA-N 479.857 6.128 50 10 JKGE Cc1nc([C@H](Cl)c2cc(Br)sc2Br)c(Br)s1 1980605361 NMMNGPTZNKKNFS-ZCFIWIBFSA-N 466.445 6.129 50 10 JKGE F[C@H]([C@H](Cl)c1c(Br)sc(Br)c1Br)C(F)(F)F 1984586268 PTWZUSGXVDZANB-QWWZWVQMSA-N 469.317 6.216 50 10 JKGE CC1(C)CC[C@@H]1[C@@H](Br)c1c(Br)sc(Br)c1Cl 1987991673 PMAYQWLIARRUEB-IYSWYEEDSA-N 451.449 6.799 50 10 JKGE Fc1cc(Cl)c(Br)cc1[C@@H](Cl)c1cc(Br)sc1Br 2036575974 HHDGWWKWXHGBKY-SNVBAGLBSA-N 497.836 7.156 50 10 JKGE Cc1cc([C@@H](Cl)c2cc(Br)c(C)cc2Br)c(Br)s1 2039504443 ZBLRLNNDITWIAJ-LBPRGKRZSA-N 473.455 6.981 50 10 JKGE COc1cc(C(=O)N(Cc2ccccc2)[C@@H](CBr)C(C)C)ccc1Br 2072061197 NFONQYQUPJDOBM-SFHVURJKSA-N 469.217 5.520 50 10 JKGE Cc1sc(Br)c([C@H](Br)c2cccc(Br)c2C)c1C 2082883574 GQUXVXDQCXHFDW-CYBMUJFWSA-N 453.037 6.683 50 10 JKGE COc1c(Br)cc(C)cc1[C@H](Br)c1cc(Br)cs1 2083448835 YPPVDBJMYBRMQE-LBPRGKRZSA-N 455.009 6.074 50 10 JKGE COc1c(C)cc(Br)cc1[C@@H](Br)c1csc(Br)c1 2085641402 CXEIDHQEHFDVDG-LBPRGKRZSA-N 455.009 6.074 50 10 JKGE ClCc1nc2cc(Br)c(Cl)cc2n1[C@]12C[C@@H]1CN(Cc1ccccc1)C2 2103619824 IMZVLQUCGHLLPF-VLIAUNLRSA-N 451.195 5.422 50 10 JKGE C[C@H]1CO[C@H](CC(CBr)(CBr)c2ccc(Br)cc2)C1 2110066859 NZHXIFOZZYCVSR-RISCZKNCSA-N 455.028 5.292 50 10 JKGE C[C@H](Cl)c1nc2cc(Cl)c(Br)cc2n1CC1CN(Cc2ccccc2)C1 2112702257 ULUMOMSGUXWGEA-ZDUSSCGKSA-N 453.211 5.884 50 10 JKGE Cc1cc([C@@H](Br)c2cc(I)ccc2F)c(C)cc1Cl 2113357995 MCSNPCPYQISFHS-OAHLLOKOSA-N 453.520 6.185 50 10 JKGE Cc1c(Br)sc([C@H](Br)c2ccc3nsnc3c2)c1Br 2120650704 JDAYNBDRJNBMBH-SNVBAGLBSA-N 483.048 6.071 50 10 JKGE CCCC[C@@H](CC)[C@@H](Br)c1c(C)c(Br)cc(C)c1Br 2136381099 YDCBZSWBVRVGSQ-MLGOLLRUSA-N 455.072 7.481 50 10 JKGE C[C@@H]1CC[C@](C)([C@H](Br)c2ccc(Br)cc2Br)C1(C)C 2138848745 HMIUZPLLOSRODS-QSGSBWRWSA-N 453.056 7.110 50 10 JKGE CO[C@@H]1CCC[C@H]([C@@H](Br)c2ccc(Br)c(C)c2Br)C1 2138855515 XJAHKGKMSFOSOR-FIXISWKDSA-N 455.028 6.161 50 10 JKGE Cc1c(Br)ccc([C@H](Br)C2C[C@H]3CC[C@H](C2)C3)c1Br 2138867066 WKDRIGCUBWXTHI-XMZIXOGTSA-N 451.040 6.782 50 10 JKGE CO[C@H]1C[C@H]([C@@H](Br)c2ccc(Br)cc2Br)C[C@H]1OC 2138870321 IJFGOLUWUGMTTI-ULTHFGNCSA-N 457.000 5.088 50 10 JKGE Cc1ccccc1C[C@@H](CBr)Cc1c(Br)cccc1Br 2150495010 KMXIKTVJYXHDOU-CYBMUJFWSA-N 461.035 6.316 50 10 JKGE C[C@@H]1CCCC[C@@]12[C@@H](Oc1ccc(Br)cc1Br)C[C@H]2Br 2173630649 XBSVFLDOQLROCQ-HGGPSHQYSA-N 467.039 6.323 50 10 JKGE O=C(c1cc(Br)sc1Br)N1C[C@@H](Br)C2(CCCCC2)C1 2174364637 MXNHNHFWUFVJOW-SNVBAGLBSA-N 486.067 5.443 50 10 JKGE CCc1cc([C@H](Br)Cc2ccccc2I)c(F)cc1F 2175390405 AEGUOKPBZOVLEI-CYBMUJFWSA-N 451.092 5.811 50 10 JKGE Cc1c(Br)ccc([C@@H](Cl)Cc2ccc(Cl)c(Cl)c2)c1Br 2203687064 VZQAKLGYGFNRAZ-ZDUSSCGKSA-N 457.420 7.349 50 10 JKGE C[C@@H](Cl)C[C@H]1CCCCN1C(=O)c1ccc(Br)cc1I 2207267500 GEKFLWMSXAOWMT-ZYHUDNBSSA-N 470.576 5.066 50 10 JKGE O=C(Nc1ccc(CCCl)cc1)c1ccc(Br)cc1I 2207267753 IDXYURVTKFWXIJ-UHFFFAOYSA-N 464.528 5.087 50 10 JKGE Cc1cc(Br)c([C@H](Cl)c2nscc2Br)c(C)c1Br 2220144568 HSSMCVSXYODEOA-NSHDSACASA-N 474.443 6.376 50 10 JKGE C[C@@H]1O[C@H](C)[C@H]([C@@H](Br)c2cc(Br)c(Br)cc2F)[C@H]1C 2225618603 YTKGZUCWGRMMST-BHAIIGLKSA-N 458.991 5.846 50 10 JKGE Cc1cc(Br)c([C@H](Br)[C@@H]2C[C@@H]3CCC[C@H]32)c(C)c1Br 2227361274 BCUVRAYQRMERMV-XSUJLISDSA-N 451.040 6.701 50 10 JKGE FC(F)(F)C(F)(F)C[C@@H](Br)c1c(Br)cc(Cl)c(Cl)c1Cl 2232520424 OOUVHFORNXULNC-SCSAIBSYSA-N 485.299 7.433 50 10 JKGE C[C@@H](C1CCCCC1)[C@H](Br)c1c(Br)cc(Cl)c(Cl)c1Cl 2232529654 YGRKJZQJYQIODI-SDBXPKJASA-N 463.468 8.062 50 10 JKGE COc1cc(Br)c([C@H](Cl)c2cccc(Br)c2Br)cc1C 2236013983 MIFGZSSRDKJTHM-OAHLLOKOSA-N 483.425 6.619 50 10 JKGE Fc1cc(F)c([C@H](Br)c2cccc(Br)c2Cl)c(F)c1Br 2236109738 NSUHHBKZUSYJHA-SNVBAGLBSA-N 493.342 6.767 50 10 JKGE O=C(Nc1ccc(OCC2CC(Cl)C2)cc1C(=O)O)OCC1c2ccccc2-c2ccccc21 2248249243 VFJUNUGBXCZPPB-UHFFFAOYSA-N 477.944 6.142 50 10 JKGE COc1ccc([C@@H](Cl)c2cc(C)c(Br)s2)cc1I 2257367321 APITVBKYXXAZJI-GFCCVEGCSA-N 457.558 5.760 50 10 JKGE CCc1nc([C@H](Br)Cc2cc(Br)cc(Br)c2)cs1 2263511174 WESZZDWDFLRMHO-LLVKDONJSA-N 454.025 5.909 50 10 JKGE CCCOc1ccc([C@H](Br)c2cocc2Br)cc1Br 2270485175 ULWZGJIZSYYXRE-AWEZNQCLSA-N 452.968 6.078 50 10 JKGE Clc1ccc(Cl)c([C@H](Br)Cc2cc(Br)cc(Br)c2)c1 2277896793 NAELIYOPRFOQBK-CYBMUJFWSA-N 487.844 7.197 50 10 JKGE COc1c(C)cc(C)cc1[C@@H](Br)c1cc(Br)c(Br)s1 2277912116 OVWICMOYJJOPSP-GFCCVEGCSA-N 469.036 6.383 50 10 JKGE COc1c(Br)cc([C@H](Br)C2CC(Br)C2)c(OC)c1C 2278019468 QEJRQCJMMFUEAZ-SHVIVCPWSA-N 457.000 5.384 50 10 JKGE Fc1cc(Br)ccc1CO[C@@H](CI)c1ccccc1Cl 2281374133 UYQIJFFMMGXMDN-HNNXBMFYSA-N 469.519 5.935 50 10 JKGE C[C@@H](Cl)CN(CC(C)(C)C)C(=O)c1ccc(Br)cc1I 2288046570 BWBBPMWEVVRWBM-SNVBAGLBSA-N 472.592 5.169 50 10 JKGE CCCCCCCC[C@H](Br)c1c(F)cc(Br)c(F)c1Br 2288376253 LKNMEPRTHVEPDU-JTQLQIEISA-N 477.025 7.676 50 10 JKGE Cc1ccc(NC(=O)C(C#N)=C2S[C@H](Cc3cccc(C)c3)C(=O)N2c2ccc(C)cc2)cc1 2293039201 NQBPTIVULNHHNO-RUZDIDTESA-N 467.594 5.677 50 10 JKGE COc1ccc(CNC(=O)C(C#N)=Cc2ccc(OCc3ccccc3F)c(Br)c2)cc1 2294187334 AFNINXLJNNMQNT-UHFFFAOYSA-N 495.348 5.399 50 10 JKGE COc1cc(C=C(C#N)C(=O)Nc2ccccc2)ccc1OCCOc1ccc(C2CCCCC2)cc1 2295172562 BGIIKAXBNPXPTD-UHFFFAOYSA-N 496.607 6.746 50 10 JKGE N#CC(C(=O)Nc1ccc(F)cc1)=C1S[C@H](Cc2ccc(Cl)cc2)C(=O)N1c1ccccc1 2296506807 FXUZWMRYKPTCJO-JOCHJYFZSA-N 477.948 5.544 50 10 JKGE Cc1ccc(C[C@H]2SC(=C(C#N)C(=O)N3CCCCCC3)N(c3ccccc3)C2=O)cc1Cl 2296507225 YWUDSZZMBDXOQB-HSZRJFAPSA-N 480.033 5.477 50 10 JKGE Cc1ccccc1Oc1nc2c(C)cccn2c(=O)c1C=C(C#N)S(=O)(=O)c1ccc(Cl)cc1 2296542766 MCVBBAVZMHZRGZ-UHFFFAOYSA-N 491.956 5.095 50 10 JKGE COc1cc(C=C(C#N)c2nc(-c3cc4ccccc4oc3=O)cs2)ccc1OCc1ccccc1 2296662526 IUFDPLOGNAMDJJ-UHFFFAOYSA-N 492.556 6.568 50 10 JKGE C=CCOc1ccc(-c2nn(-c3ccccc3)cc2C=C(C#N)c2nc3ccccc3[nH]2)cc1C 2296729461 NDJMOCAKNOJPMT-UHFFFAOYSA-N 457.537 6.353 50 10 JKGE N#CC1=C(N)OC2=C(CN(Cc3ccccc3)CC2=Cc2ccc(F)cc2)[C@@H]1c1ccc(F)cc1 2296750485 QKHMTTXGMAZSLK-HHHXNRCGSA-N 467.519 5.626 50 10 JKGE CCOC(=O)c1c(NC(=O)C(C#N)=Cc2ccc(OCc3ccccc3)cc2)sc(C)c1C 2296818210 ZVQLGJPXRNJANB-UHFFFAOYSA-N 460.555 5.666 50 10 JKGE N#CC(C(=O)Nc1ccc(Cl)cc1)=C1S[C@H](Cc2ccc(F)cc2)C(=O)N1c1ccccc1 2296834369 CKNBDFIZCZYIQZ-JOCHJYFZSA-N 477.948 5.544 50 10 JKGE C=CCOc1ccc(Br)cc1C=C(C#N)C(=O)Nc1ccc(Cl)cc1[N+](=O)[O-] 2297400004 WRXCFXMRSBVGBI-UHFFFAOYSA-N 462.687 5.121 50 10 JKGE CCOc1ccc(-c2nn(-c3ccccc3)cc2C=C(C#N)c2nc3ccccc3[nH]2)cc1Cl 2297464898 MNDBLRFXVWVZPI-UHFFFAOYSA-N 465.944 6.532 50 10 JKGE N#CC(=Cc1ccc(OCc2ccccc2Cl)cc1)C(=O)Nc1ccc(OCc2ccccc2)cc1 2297533992 XYZPJBKXYMIWJL-UHFFFAOYSA-N 494.978 7.044 50 10 JKGE FC(F)[C@H]1CCc2c(Br)cc(OCc3ccccc3)cc2[C@@H](Br)C1 2299526518 YMAAJIUREWMXEN-GUYCJALGSA-N 460.156 6.682 50 10 JKGE CCOc1cc(C=C(C#N)C(=O)Nc2ccc(C)cc2)cc(Cl)c1OCc1cccc(C)c1 2313568747 WRLHJCZGVBWHEF-UHFFFAOYSA-N 460.961 6.480 50 10 JKGE C=CCc1cc(C=C(C#N)C(=O)Nc2cccc(Cl)c2Cl)ccc1OCC(=O)OCC 2313571593 ZXPSHTDTZAPLHV-UHFFFAOYSA-N 459.329 5.209 50 10 JKGE Brc1cc(OCc2ccccc2)ccc1[C@H](Br)C[C@@H]1CCC[C@@H]2C[C@H]12 2314442486 BWMYOZPAFCNXST-SQBLYHGDSA-N 464.241 7.290 50 10 JKGE N#CC(=C(O)c1ccc(-c2cccc(C(F)(F)F)c2)o1)c1nc(-c2ccc(Cl)cc2)cs1 2314457671 UMGMIHAHSWKDMO-UHFFFAOYSA-N 472.875 7.692 50 10 JKGE CC(C)[C@@H]1CCC[C@@H]1[C@H](Br)c1cc(Br)ccc1OCc1ccccc1 2314490958 PACFPVQXWPDENT-IPJJNNNSSA-N 466.257 7.536 50 10 JKGE N#CC1=C(N)Oc2cc(OC(=O)C=Cc3ccccc3)ccc2[C@H]1c1c(Cl)cccc1Cl 2314634337 FFNYQRWNJVPQTA-HSZRJFAPSA-N 463.320 5.830 50 10 JKGE COCc1ccc([C@H](Br)c2cc(Br)cc(Br)c2)s1 2315096802 CZSOQAXPYWGZLJ-CYBMUJFWSA-N 455.009 5.904 50 10 JKGE Fc1c(Br)cc(Cl)c([C@@H](Br)[C@@]23CCC[C@@H]2C3)c1Br 2315439725 IPRJKNUQZYMANS-AJJMPYILSA-N 461.394 6.630 50 10 JKGE COCC1([C@@H](Br)c2c(Cl)cc(Br)c(F)c2Br)CC1 2315442069 OYLYMQXEBOBOMJ-NSHDSACASA-N 465.382 5.867 50 10 JKGE Fc1c(Br)cc(Cl)c([C@@H](Br)C[C@H]2CC23CC3)c1Br 2315445388 LXXWJUABYALYEW-BQBZGAKWSA-N 461.394 6.630 50 10 JKGE CCCCOC(=O)c1ccccc1NC(=O)C(C#N)=CN[C@H](CC)c1ccc2c(c1)CCCC2 2325306936 PUMZNUUHWWOWDD-RUZDIDTESA-N 459.590 5.609 50 10 JKGE CCOC(=O)c1ccc(N2C[C@@H](C(O)=C(C#N)c3nc(-c4c[nH]c5ccccc45)cs3)CC2=O)cc1 2331347154 ZQLAVSZZEWULJU-KRWDZBQOSA-N 498.564 5.314 50 10 JKGE CCc1cccc(CC)c1N1C[C@H](C(O)=C(C#N)c2nc(-c3ccc(F)c(F)c3)cs2)CC1=O 2331352021 WJBBVAARPRBEQB-GOSISDBHSA-N 479.552 6.059 50 10 JKGE COc1cc(C=CC(O)=C(C#N)c2nc(-c3cc(C)cc(C)c3OC)cs2)cc(OC)c1OC 2331372016 YVWOIZUMXDITFM-UHFFFAOYSA-N 478.570 5.967 50 10 JKGE COc1cc(-c2csc(C(C#N)=C(O)Cc3cccc4ccccc34)n2)c(OC)cc1Cl 2331377116 KEZXWQYGHOMQNC-UHFFFAOYSA-N 462.958 6.669 50 10 JKGE COc1ccc(-c2csc(C(C#N)=C(O)C=Cc3ccc(C(C)(C)C)cc3)n2)c(OC)c1OC 2331412476 ANZYIFUSLMZSBU-UHFFFAOYSA-N 476.598 6.639 50 10 JKGE N#CC(=Cc1ccc(OCc2ccc(Cl)cc2)cc1)c1nc(-c2ccc(F)cc2F)cs1 2331436440 VGXIVTOXSQXRJV-UHFFFAOYSA-N 464.924 7.385 50 10 JKGE CC12COC([C@H](Br)c3c(Cl)cc(Br)c(F)c3Br)(C1)C2 2337095358 ZSOANITUPWUSCJ-PNESKVBLSA-N 477.393 6.009 50 10 JKGE COc1ccc([C@@H](Br)c2csc(C)c2Br)c(Br)c1Cl 2343541935 RMQHSCJCEWGQOY-LLVKDONJSA-N 489.454 6.728 50 10 JKGE ClCC[C@@H]1CCCC[C@@H]1NCc1ccc(I)c(Br)c1 2349830823 DBUAVDCLYNZHOB-WFASDCNBSA-N 456.593 5.331 50 10 JKGE Brc1cc(CN2C[C@H](Br)CC23CCCC3)ccc1I 2349833740 IKEUXAKKNBDCKT-GFCCVEGCSA-N 499.028 5.336 50 10 JKGE Cc1ccc(N2CCN(Cc3ccccc3)C[C@@H]2C(F)(F)F)c(CBr)c1Cl 2360652502 HAUPRMJWIXXOHT-GOSISDBHSA-N 461.753 5.796 50 10 JKGE COc1ccc(Oc2cc(Cl)c(C)cc2I)c(CBr)c1 2361704954 WVQKPGDEIBGIGX-UHFFFAOYSA-N 467.528 5.949 50 10 JKGE Fc1c(Br)cc(Cl)c([C@H](Br)[C@@H]2CC[C@@H]3[C@@H]2C3(F)F)c1Br 2362234442 HBSQKRBQVKJQOW-YSUNZFGCSA-N 497.374 6.731 50 10 JKGE Cc1ccccc1C[C@H]1S/C(=C(\C#N)C(=O)NCc2ccccc2)N(c2ccc(Cl)cc2)C1=O 935207 FFONBSFQDNWJHT-GUNDDFSMSA-N 488.012 5.391 50 10 JKGE CCOCCCN1C(=O)C(C#N)=C(C)/C(=C\c2ccc(OCc3ccc(Cl)cc3Cl)cc2)C1=O 38606624 XBOMXDGRRABKBO-LPYMAVHISA-N 499.394 5.591 50 10 JKGE Cc1cc(Cl)ccc1OCC(=O)Oc1ccc2c(c1)OC(N)=C(C#N)[C@@H]2c1ccc(Cl)cc1 38651401 GSXXPBCWOCMIPY-XMMPIXPASA-N 481.335 5.504 50 10 JKGE Cc1cc2oc(C(=O)Oc3ccc4c(c3)OC(N)=C(C#N)[C@H]4c3ccccc3F)c(C)c2cc1C 38687960 OMQOOYUCDOBCAG-VWLOTQADSA-N 468.484 5.935 50 10 JKGE Cc1ccc(Oc2nc3ccccn3c(=O)c2/C=C(\C#N)C(=O)Nc2cccc(C(F)(F)F)c2)cc1 39992830 WJDNEBWIKKNMKR-GHRIWEEISA-N 490.441 5.360 50 10 JKGE CCCOc1ccc(/C=C(\C#N)C(=O)Oc2ccc(-c3ccccc3)cc2Br)cc1 40868429 PEPSNBIZDWPLBM-RCCKNPSSSA-N 462.343 6.417 50 10 JKGE CCCN(CCC)c1ccc(C(=O)N/N=C/c2ccccc2OS(=O)(=O)c2ccc(C)cc2)cc1 59160504 JEWUIAOELHKEMA-VFCFBJKWSA-N 493.629 5.153 50 10 JKGE O=C(N/N=C1\C(=O)N(C/C=C/c2ccccc2)c2ccccc21)c1ccc(Cl)cc1Cl 59160582 LKPUEJTWWHRTRL-MVKDTFLYSA-N 450.325 5.188 50 10 JKGE O=C(CCCNc1ccc(Br)cc1)N/N=C/c1ccc2ccc3cccc4ccc1c2c34 59261025 YKDFVMBIHGKNOR-OCSSWDANSA-N 484.397 6.689 50 10 JKGE C=CCn1c(C)c(/C=N/NC(=O)c2ccc(-n3c(C)ccc3-c3ccccc3)cc2)c2ccccc21 59680357 QZIVDKWBMBMHRR-RUMWWMSVSA-N 472.592 6.666 50 10 JKGE Cc1ccc(NS(=O)(=O)c2ccc(Cl)c(NC(=O)/C(C#N)=C/c3ccccc3)c2)cc1Cl 89643357 MEMOXJLHELSZAT-GZTJUZNOSA-N 486.380 5.648 50 10 JKGE N#C/C(=C/c1cccc(OCc2c(Cl)cccc2Cl)c1)C(=O)NCc1ccc2c(c1)OCO2 96438842 QETDMTPKICNUNW-NVMNQCDNSA-N 481.335 5.524 50 10 JKGE CC1=C(C#N)C(=O)N([C@H](C)c2ccccc2)C(=O)/C1=C/Nc1ccccc1C(=O)c1ccccc1 101235192 BGOOJUSXDMUKEY-VXCWRXKNSA-N 461.521 5.183 50 10 JKGE CC(C)c1ccc(N2C(=O)[C@H](Cc3ccccc3F)S/C2=C(/C#N)C(=O)NCc2ccccc2)cc1 101240953 JCTCVHPNLQWCRA-IYQUHZLLSA-N 499.611 5.692 50 10 JKGE Cc1ccc(N2C(=O)[C@H](Cc3ccc(Cl)cc3)S/C2=C(/C#N)C(=O)NCc2ccco2)cc1C 101242663 YXGLFPPKRBZYRR-YDYXIROLSA-N 492.000 5.293 50 10 JKGE COc1ccc([C@H](Cl)c2cc(Br)sc2Br)c(OC)c1OC 109825147 SIJXQWSXGIIAEL-NSHDSACASA-N 456.583 5.627 50 10 JKGE COc1cc(C)c(Br)cc1[C@H](Br)c1cccc(Br)c1C 115983845 CLXRQHKBAALOFE-MRXNPFEDSA-N 463.007 6.321 50 10 JKGE Clc1ccc([C@@H](Br)c2cc(Br)ccc2Br)c2ccccc12 161111868 OSZILHVYVMXODP-QGZVFWFLSA-N 489.432 7.503 50 10 JKGE CCCCOc1ccc(-c2nn(-c3ccccc3)cc2/C=C2\C(=O)N(CC)C(=O)C(C#N)=C2C)c(C)c1 214209905 DJDLBIILWNCLEX-ONUIUJJFSA-N 494.595 5.639 50 10 JKGE CC[C@H](C)N1C(=O)C(C#N)=C(C)/C(=C/c2cn(-c3ccccc3)nc2-c2ccc(OC)c(F)c2)C1=O 214256632 ABTJFCITNQLMDY-RIWZNOJBSA-N 484.531 5.078 50 10 JKGE CCCCc1ccc(N/C=C(/C#N)C(=O)Nc2ccc(I)cc2C)cc1 217253704 KEQTYIRXHVZMEE-VKAVYKQESA-N 459.331 5.400 50 10 JKGE O=C(N[C@H]1CCCCC[C@@H]1Br)c1ccc(Br)cc1Br 232456027 BRPJRUZUWZTDJK-AAEUAGOBSA-N 454.000 5.038 50 10 JKGE Cc1cc(C)c(C)c([C@H](Br)c2cc(Cl)ccc2I)c1C 235823363 CHSTVVMXUOSJBR-QGZVFWFLSA-N 463.584 6.663 50 10 JKGE Fc1cc([C@H](Cl)c2ccc(Br)cc2Br)c(F)cc1Br 236240604 MEGYIFAGYUWKQU-CYBMUJFWSA-N 475.352 6.581 50 10 JKGE CC(=NNC(=O)c1ccc(COc2ccccc2-c2ccccc2)cc1)c1ccc2c(c1)OCO2 254556282 AAWSEPARIIOYRR-UHFFFAOYSA-N 464.521 5.815 50 10 JKGE C=CCc1cc(C=NNC(=O)Nc2ccc(C)cc2)cc(OCC)c1OCc1ccccc1C#N 254792644 VEKOOFKDZZYIMT-UHFFFAOYSA-N 468.557 5.729 50 10 JKGE Fc1ccc(Br)cc1[C@@H](Br)c1cc2c(cc1Br)OCC2 308422587 YXUPRXSIZVRAFL-HNNXBMFYSA-N 464.954 5.770 50 10 JKGE Cc1cccc(Br)c1[C@H](Br)c1scc(C(F)(F)F)c1Br 394204841 FCEFOFKPEYRFOP-NSHDSACASA-N 492.980 7.085 50 10 JKGE Fc1cc(Br)c([C@H](Cl)c2ccc(Br)cc2Br)c(F)c1F 398486662 WZFWHGCBBHVTHK-LLVKDONJSA-N 493.342 6.720 50 10 JKGE Fc1ccc(Br)cc1[C@@H](Br)c1ccc(F)c(Br)c1F 691633805 GOMITEVLKTWVIA-NSHDSACASA-N 458.897 6.113 50 10 JKGE CO[C@@](C)(COCc1ccccc1)Cn1c(CCl)nc2ccc(F)c(Br)c21 702790904 QPZMBQDKSAJBBV-HXUWFJFHSA-N 455.755 5.299 50 10 JKGE BrCc1ccc(N2C[C@H]3CC[C@H]2[C@H]2CN(Cc4ccccc4)C[C@H]32)cc1Br 705886035 KIDVABDAQFDOAA-WQJYWUQFSA-N 490.283 5.691 50 10 JKGE Cc1ccc(C[C@H](Br)c2ccc(I)c(Br)c2)cc1C 721574451 XVCUOBWSYLKUPE-AWEZNQCLSA-N 494.008 6.349 50 10 JKGE N#Cc1ccccc1COc1ccc(Cl)cc1C=NNC(=O)c1ccccc1Br 1083906098 ANLMZLFHLYPJDF-UHFFFAOYSA-N 468.738 5.317 50 10 JKGE COc1cc(C=NNC(=O)c2cc3ccccc3cc2O)ccc1Oc1ccccc1[N+](=O)[O-] 1083906930 WWALHOKTSMQDME-UHFFFAOYSA-N 457.442 5.018 50 10 JKGE COc1cc(C=NNC(=O)CSC2c3ccccc3-c3ccccc32)ccc1OCc1ccccc1 1084291220 YVVLLVFPGUSITE-UHFFFAOYSA-N 494.616 6.228 50 10 JKGE COC(=O)c1cccc(-n2c(C)cc(C=NNC(=O)c3cc4cc(Br)ccc4o3)c2C)c1 1084301956 UOOBRUUMKSSLGK-UHFFFAOYSA-N 494.345 5.153 50 10 JKGE Cc1ccccc1NC(=O)/C(C#N)=C\c1cc(Cl)ccc1OCc1cccc2ccccc12 1084525126 CHCPIOYMBJHKQZ-HAHDFKILSA-N 452.941 6.926 50 10 JKGE COc1cc(C=NNC(=O)CCCOc2ccc(Cl)cc2Cl)cc(Br)c1OC 1772719656 JFWWUERHSHTBNW-UHFFFAOYSA-N 490.181 5.082 50 10 JKGE CC(C)(C)c1ccc(C=NNC(=O)COc2ccc(Br)cc2Br)cc1 1772753147 VVGHTEYZLVVFDH-UHFFFAOYSA-N 468.189 5.038 50 10 JKGE COc1ccc(-c2nn(-c3cccc(Cl)c3)c3c2[C@H](c2cccc(O)c2)C(C#N)=C(N)O3)cc1 1865681596 RGAFKGPGRMXMKR-JOCHJYFZSA-N 470.916 5.125 50 10 JKGE CCc1nn(-c2ccc(Cl)c(Cl)c2)c2c1[C@H](c1ccc(N(C)C)cc1)C(C#N)=C(N)O2 1865683927 QKKKHMAAZCUQRR-HXUWFJFHSA-N 454.361 5.026 50 10 JKGE CCCCOc1ccc([C@H]2C(C#N)=C(N)Oc3c2c(C)nn3-c2cccc(Cl)c2)cc1OC 1865697479 UKBNNDPBKLTNRX-QHCPKHFHSA-N 464.953 5.240 50 10 JKGE N#CC1=C(N)Oc2c(c(-c3ccccc3)nn2-c2ccc(Cl)cc2)[C@@H]1c1c[nH]c2ccccc12 1865700199 MUVHGEVNUJJKOD-QHCPKHFHSA-N 463.928 5.892 50 10 JKGE CCCc1nn(Cc2cccc(Cl)c2)c2c1[C@H](c1ccc(Cl)c([N+](=O)[O-])c1)C(C#N)=C(N)O2 1865705751 DSLWPPVJOVHFLZ-HXUWFJFHSA-N 484.343 5.317 50 10 JKGE N#CC1=C(N)Oc2c(c(-c3ccccc3)nn2Cc2cccc(Cl)c2)[C@@H]1c1ccc([N+](=O)[O-])cc1 1865712690 FOIAEXVKESSIRD-JOCHJYFZSA-N 483.915 5.378 50 10 JKGE COc1ccccc1[C@@H]1c2ccccc2CCN1c1cc(Nc2ccc(SC#N)cc2)nc(C)n1 1868479877 CKZXSGLRIGXOEO-NDEPHWFRSA-N 479.609 6.263 50 10 JKGE Cc1ccc(C)c(-c2csc(/C(C#N)=C/c3ccccc3OCc3ccccc3Cl)n2)c1 1872790791 FHFIDAZPAWVZLQ-HYARGMPZSA-N 456.998 7.724 50 10 JKGE CCCCCOc1ccc(/C=C(\C#N)c2nc(-c3cc(OC)c(Cl)cc3OC)cs2)cc1 1872793551 FZYKPOQDDUEMMS-LDADJPATSA-N 469.006 7.114 50 10 JKGE CCCCCOc1ccc(/C=C(\C#N)c2nc(-c3ccc(OCC)cc3OCC)cs2)cc1OC 1872793905 ZUNBJCKJRQXVSK-RCCKNPSSSA-N 492.641 7.249 50 10 JKGE O=C(c1cc(Br)ccc1F)N(Cc1ccccc1)[C@H](CBr)C1CC1 1915312222 JQWQLWDQFQQSQW-GOSISDBHSA-N 455.165 5.404 50 10 JKGE Cc1cc([C@@H](Br)c2cc(C3CC3)c(Br)s2)oc1Br 1917617853 SMBFPRFCTBAZLW-LLVKDONJSA-N 455.009 6.536 50 10 JKGE Cc1c(Br)sc([C@@H](Br)C23CC4CC(CC(C4)C2)C3)c1Br 1922883788 PSLNEDRRUMJHOE-RHPHNMOSSA-N 483.107 7.234 50 10 JKGE C[C@@H]1CC[C@@](C)([C@@H](Br)c2sc(Br)cc2Br)C1(C)C 1922885980 JBONVDPIRKTEPV-XOZVTBISSA-N 459.085 7.172 50 10 JKGE Cl[C@H](c1cccc(I)c1)c1sc(Br)cc1Br 1922933561 XHNUIXKEKWUAJO-SNVBAGLBSA-N 492.401 6.206 50 10 JKGE Cc1cc(Cl)ccc1[C@@H](Br)c1c(Br)sc(Br)c1Cl 1923054438 FOZILOXOQDLBEW-SECBINFHSA-N 493.873 7.373 50 10 JKGE C[C@@H](c1ccncc1Br)[C@H](Br)c1ccccc1OCc1ccccc1 1924048035 RIFXSXJSJIXWNF-BTYIYWSLSA-N 461.197 6.663 50 10 JKGE C[C@H](C[C@@H](Cl)c1c(Br)sc(Br)c1Br)C(C)(C)C 1924583630 MSUMRODSBQACRK-RNFRBKRXSA-N 467.492 7.388 50 10 JKGE Fc1cc(Br)cc(F)c1[C@@H](Cl)c1c(Cl)sc(Br)c1Cl 1925590127 NDSAMNYGGOXYOB-MRVPVSSYSA-N 471.375 7.186 50 10 JKGE C[C@@H](Cl)c1nc2cc(I)c(F)cc2n1-c1csnc1Br 1926868023 ITWZJDFWPQSPPJ-RXMQYKEDSA-N 486.535 5.288 50 10 JKGE Clc1cc(Br)c([C@@H](Br)c2sccc2Br)s1 1933586827 LIPDQDANDMJIBQ-ZETCQYMHSA-N 451.430 6.472 50 10 JKGE Cc1csc(C(=O)N(Cc2ccccc2)[C@@H](CBr)C(C)C)c1Br 1939884027 SRHGGNGRRIUEDD-HNNXBMFYSA-N 459.247 5.881 50 10 JKGE Clc1cc(Br)c([C@H](Br)Cc2ccc(Br)cc2)s1 1948829273 RTLIIILJOGYURV-SECBINFHSA-N 459.428 6.605 50 10 JKGE COc1sc([C@@H](Br)c2scc(C)c2Br)cc1Br 1950882209 RDTOWVZDIRLEAD-SECBINFHSA-N 461.038 6.136 50 10 JKGE Fc1cc(Br)c([C@@H](Br)C2(Br)CCC2)c(F)c1Cl 2023372491 JRUIUCSDWIWQQA-SNVBAGLBSA-N 453.346 6.134 50 10 JKGE CC[C@H](Br)CN(C(=O)c1cc(Br)c(Br)s1)C1CC1 2045278397 UOKPLTFHDUQJMK-ZETCQYMHSA-N 460.029 5.051 50 10 JKGE Clc1cc(Br)cc(CC(CBr)(CBr)C2CCC2)c1 2047992420 IHFZFFFZUMVEEK-UHFFFAOYSA-N 459.447 6.221 50 10 JKGE FC1(F)CCC[C@@H]2[C@H]([C@H](Br)c3cc(Br)c(Br)s3)[C@@H]21 2051240135 FCOXZWNRENTCAA-KNPZVZKISA-N 464.995 6.391 50 10 JKGE Cn1c(C(C#N)=Cc2ccc(Oc3ccc(C(C)(C)C)cc3)c([N+](=O)[O-])c2)nc2ccccc21 2053578030 NTHRBYOAVQTUKP-UHFFFAOYSA-N 452.514 6.635 50 10 JKGE O=C(N[C@H](CBr)c1ccsc1)c1csc(Br)c1Br 2055475843 BKWUSLSNGRYVQT-MRVPVSSYSA-N 474.037 5.201 50 10 JKGE CC(C)(C)OC(=O)NCCSSCCN[C@@H]1CC[C@H]2CCCN(C(=O)OC(C)(C)C)[C@@H]2C1 2061264797 UCHCKZKEWINXSE-GUDVDZBRSA-N 489.748 5.050 50 10 JKGE Cc1cc(Cl)c(Br)cc1[C@H](Br)c1cn(C)c(Br)n1 2082382583 PJTXZEYLRDHBGW-NSHDSACASA-N 457.391 5.391 50 10 JKGE BrCC(CBr)(Cc1cc(Br)sn1)c1ccccc1 2084079775 MOKWFOTZXYVNCE-UHFFFAOYSA-N 454.025 5.176 50 10 JKGE CC(C)Cc1ccc([C@@H](Cl)c2ccc(I)c(Br)c2)s1 2087350505 WYXWXQAWIHGDBI-HNNXBMFYSA-N 469.613 6.642 50 10 JKGE C[C@H]1Cc2cc([C@@H](Br)c3sncc3Br)cc(Br)c2O1 2090457340 AXCBXJBLWCOCNS-UPONEAKYSA-N 468.008 5.476 50 10 JKGE BrC[C@@]1(Cc2c(Br)cccc2Br)CCO[C@H]1C1CC1 2094095338 LDYCVDLVQDAWOX-GJZGRUSLSA-N 453.012 5.334 50 10 JKGE COC1CC2(C1)CC([C@H](Br)c1c(Br)sc(Br)c1Cl)C2 2100346177 OSSSUKFXNPWUEY-RDTMWIIESA-N 493.486 6.568 50 10 JKGE FC1(F)CCC2(CC1)C[C@H]2[C@H](Br)c1cc(Br)sc1Br 2107091132 IEHMLWPCSRJDBI-WCBMZHEXSA-N 479.022 6.925 50 10 JKGE C[C@]1([C@H](Br)c2cc(Br)ccc2Br)CCCCC1(F)F 2111656880 MMUQSPRNMAJOMX-CHWSQXEVSA-N 460.982 6.863 50 10 JKGE Cc1c([C@@H](Br)c2cc(Br)c(Cl)cc2F)nn(C)c1Br 2111930894 ABXSJCWHJGVVHD-JTQLQIEISA-N 475.381 5.530 50 10 JKGE Cc1cc(Br)c([C@H](Br)[C@@H]2OCCOC2(C)C)cc1Br 2130230283 CQNALLWGYQNDHV-STQMWFEESA-N 457.000 5.150 50 10 JKGE Cc1cc(F)c(F)cc1[C@@H](Br)c1cccc(Br)c1Br 2139633416 WDOFMMOGAKHPRJ-ZDUSSCGKSA-N 454.934 6.283 50 10 JKGE CC1(C)Cc2cc([C@@H](Br)c3csc(Br)c3Br)ccc2O1 2150341676 ISNXYAGIEPIMGT-GFCCVEGCSA-N 481.047 6.471 50 10 JKGE Fc1cccc(C[C@@H](CBr)Cc2c(Br)cccc2Br)c1 2150493631 CIDKOQNDJKNIFX-GFCCVEGCSA-N 464.998 6.147 50 10 JKGE C[C@@]1(C2CC2)CN(c2cc(CBr)sc2[N+](=O)[O-])CCN1Cc1ccccc1 2151088615 FZHMVQGVDQVOHF-FQEVSTJZSA-N 450.402 5.042 50 10 JKGE C[C@@](CI)(OC[C@@H]1CCCCCO1)c1ccccc1Br 2152616877 AXLJYEMHDFZBAT-BBRMVZONSA-N 453.158 5.075 50 10 JKGE COc1cc([C@H](Br)c2cc(Cl)c(Cl)s2)c(OC)cc1Br 2156050437 MUTKJYDWKWYDML-LBPRGKRZSA-N 461.002 6.319 50 10 JKGE Cc1cc(Br)c([C@H](Br)[C@H]2CC[C@]3(C2)CC3(F)F)cc1Br 2156117462 RJLMXUYPNQWYNP-FZZIBODNSA-N 472.993 6.782 50 10 JKGE Cc1c(Cl)cc(C[C@H](CBr)c2ccccc2Br)cc1Br 2167384359 IBDJBGYQAONMSG-GFCCVEGCSA-N 481.453 6.895 50 10 JKGE O=C(NCC[C@H]1CCCC[C@H]1Br)c1cc(Br)ccc1Br 2179637109 RTVWEJIBDLDXRR-ZWNOBZJWSA-N 468.027 5.285 50 10 JKGE C[C@H]1C[C@H](n2c(CCl)nc3ccc(F)c(Br)c32)CN(Cc2ccccc2)C1 2184260899 QONPQCBSWPBNFL-HOCLYGCPSA-N 450.783 5.760 50 10 JKGE ClCc1nc2cc(I)ccc2n1C[C@]12CC[C@H]1CN(Cc1ccccc1)C2 2201228022 ILKHAJOHNRYYGG-HTAPYJJXSA-N 491.804 5.292 50 10 JKGE Cc1c(Br)sc([C@H](Br)c2cc(I)sn2)c1C 2210562771 YHLYGFLRQDPBRB-MRVPVSSYSA-N 493.027 5.673 50 10 JKGE Cc1ccc([C@H](Br)c2cc(Br)sc2Br)c(F)c1F 2223464068 NHCYNZFSMAUXCA-VIFPVBQESA-N 460.963 6.344 50 10 JKGE Cc1cc(Br)c([C@H](Br)c2ccc(F)cc2)c(C)c1Br 2227350911 YUVLVNCZAZPUGU-OAHLLOKOSA-N 450.971 6.452 50 10 JKGE Clc1cc(Br)c([C@H](Br)C2CC3(C2)CC32CC2)c(Cl)c1Cl 2232512734 UYZVDZRVLMYZRZ-PSYFVYSPSA-N 459.436 7.426 50 10 JKGE CCCC1CCC([C@H](Br)c2cc(Br)c(Br)cc2F)CC1 2233977003 RXVPHNXUXGTIQV-PRDDCLIZSA-N 471.046 7.393 50 10 JKGE Fc1cc(Br)c(Br)cc1[C@H](Br)C1CC2(CCCCC2)C1 2233982622 XTGOLLTZQKGEPB-OAHLLOKOSA-N 469.030 7.147 50 10 JKGE ClCc1nc2cc(Br)c(Br)cc2n1Cc1cc(Cl)ns1 2234062492 BBYWGZAUSUSUHR-UHFFFAOYSA-N 455.990 5.458 50 10 JKGE Fc1cccc(Br)c1[C@H](Br)c1ccc2c(c1Br)CCO2 2238082766 RLZNXMQCZOJUAW-OAHLLOKOSA-N 464.954 5.770 50 10 JKGE O=C(Nc1ccccc1CCCl)c1ccc(Br)cc1I 2238847020 YUGOWFGEDYELSK-UHFFFAOYSA-N 464.528 5.087 50 10 JKGE Clc1ccc(I)c(CN2[C@H](CBr)C[C@H]3CCCC[C@@H]32)c1 2240673613 WCEGNDZURGWSOC-WPGHFRTFSA-N 468.604 5.473 50 10 JKGE Brc1ccc([C@@H](CI)O[C@H]2CCN(Cc3ccccc3)C2)cc1 2244800316 LUBKHAVASAWRSJ-RBUKOAKNSA-N 486.191 5.216 50 10 JKGE Cc1nc([C@@H](Cl)Cc2cc(Br)cc(Br)c2)c(Br)s1 2263512370 ZSEAISRUSISPPG-JTQLQIEISA-N 474.443 6.262 50 10 JKGE Cc1nc([C@@H](Br)c2cc3sc(Br)cc3s2)c(Br)s1 2263614674 BVGODCQSSQFTKI-VIFPVBQESA-N 488.089 6.737 50 10 JKGE Fc1cc([C@H](Cl)c2c(Cl)sc(Br)c2Cl)c(F)cc1Br 2267240948 FBJBCTURQJZGGR-QMMMGPOBSA-N 471.375 7.186 50 10 JKGE COc1ccc([C@@H](Br)c2cn(C)nc2Br)c(Br)c1Cl 2268276357 JUHVMRSETQSMPQ-SECBINFHSA-N 473.390 5.091 50 10 JKGE COc1cc(C)c(Br)c(C)c1[C@@H](Br)c1ncsc1Br 2269604603 NXIOZMZYAXSRDP-LLVKDONJSA-N 470.024 5.778 50 10 JKGE Fc1cc(Br)c(F)c(C[C@H](Br)c2cccc(Br)c2)c1 2272717398 LEHJLJYWMLIFHH-LBPRGKRZSA-N 454.934 6.169 50 10 JKGE Cc1cc([C@@H](Br)c2cc(F)c(Br)cc2F)c(C)cc1Br 2282097650 IANVTLNKTCBSFX-OAHLLOKOSA-N 468.961 6.591 50 10 JKGE COc1ccc([C@H](Br)c2cc(Cl)ccc2Cl)c(Br)c1Cl 2283562288 JRBXAJBCIIMMNM-LBPRGKRZSA-N 459.392 6.902 50 10 JKGE COc1ccc([C@H](Br)c2cccc(Br)c2Br)c(C)c1C 2284594277 KUTFDEYRXCMBBJ-HNNXBMFYSA-N 463.007 6.321 50 10 JKGE COc1ccc([C@H](Br)Cc2cc(Cl)cc(Cl)c2)cc1I 2284999835 XMFVQXHOCPEKNI-CYBMUJFWSA-N 485.974 6.285 50 10 JKGE Fc1cccc(Br)c1COc1c(Br)cc(CCl)cc1Br 2289574480 MWKXBZAAWNWMSF-UHFFFAOYSA-N 487.388 6.431 50 10 JKGE Cc1cccc(NC(=O)C(C#N)=Cc2cccc(OCCOc3ccc(C(C)(C)C)cc3)c2)c1 2294593269 RQZJAWCCFNINEV-UHFFFAOYSA-N 454.570 6.296 50 10 JKGE COc1cc(Cl)c([C@@H](Br)c2scc(Br)c2Cl)c(OC)c1 2294907749 OKNPULDBNDRSTR-LLVKDONJSA-N 461.002 6.319 50 10 JKGE CCC[C@H]1CC[C@H]([C@H](Br)Cc2cc(Br)cc(Br)c2)CC1 2295331301 HRBJYVPEVIOEJF-SUYBPPKGSA-N 467.083 7.124 50 10 JKGE Cc1c(Cl)cccc1NC=C(C#N)c1nc(-c2cc3cc([N+](=O)[O-])ccc3oc2=O)cs1 2295891575 RGGWTZRFRRFCCT-UHFFFAOYSA-N 464.890 5.763 50 10 JKGE Cc1ccc(-c2ccc(C=C(C#N)C(=O)Nc3ncc(Cc4cc(Cl)ccc4Cl)s3)o2)cc1 2296495473 ZKCRGGLKMACQCL-UHFFFAOYSA-N 494.403 7.155 50 10 JKGE CCOc1ccc(NC(=O)C(C#N)=Cc2c(Oc3ccc(C)cc3)nc3c(C)cccn3c2=O)cc1 2296718554 VJJOJNBSINYXCK-UHFFFAOYSA-N 480.524 5.048 50 10 JKGE N#CC(=Cc1ccc(-c2ccc(F)cc2)o1)C(=O)Nc1ncc(Cc2cccc(Cl)c2)s1 2296819084 SATPMLGONYALRE-UHFFFAOYSA-N 463.921 6.332 50 10 JKGE CCN(CC)CCOC(=O)c1ccc(NC=C(C#N)c2nc(-c3cccs3)cs2)cc1 2297462014 UAEMZQSLSAZKOY-UHFFFAOYSA-N 452.605 5.347 50 10 JKGE CCc1cscc1[C@@H](Br)c1cc(Br)ccc1OCc1ccccc1 2299504007 KAEJHRYRHKCPTD-FQEVSTJZSA-N 466.238 7.136 50 10 JKGE COCc1csc([C@H](Br)c2sc(Cl)cc2I)c1 2300956903 HAFSILCEPUCSMA-JTQLQIEISA-N 463.587 5.698 50 10 JKGE CCN(C[C@@](C)(CI)OC[C@H]1CCC(C)(C)C1)C(=O)OC(C)(C)C 2302677272 CNNDOSUNNPUBNR-HNAYVOBHSA-N 453.405 5.280 50 10 JKGE CCOc1cccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)C=Cc4ccc(Cl)cc4)ccc32)c1 2314634876 YQBXKKNUEHNZIK-SANMLTNESA-N 472.928 5.576 50 10 JKGE FC1(F)[C@H]([C@H](Br)c2sc(Cl)cc2I)C12CCCC2 2316604742 CAGPFYOMMMUFEE-PSASIEDQSA-N 467.544 6.268 50 10 JKGE C[C@]1(CCBr)CCN(Cc2ccc(I)c(Br)c2)C1 2325233208 JWOWLIMXLMLYLN-AWEZNQCLSA-N 487.017 5.051 50 10 JKGE COc1ccc(C=C2Oc3c(ccc(OCc4ccc(CCl)cc4)c3C)C2=O)cc1OC 2325339451 HNWQWSBHYVMQJU-UHFFFAOYSA-N 450.918 5.946 50 10 JKGE COC(=O)c1c(NC(=O)[C@H](C)Oc2ccc(Cl)cc2Br)sc(C(C)=CC#N)c1C 2331560581 YPJVJVZZCYPIRM-LBPRGKRZSA-N 497.798 5.592 50 10 JKGE CC12COC([C@@H](Br)c3c(Cl)cc(Br)c(F)c3Br)(C1)C2 2337095357 ZSOANITUPWUSCJ-HIFPTAJRSA-N 477.393 6.009 50 10 JKGE C[C@]1(C(F)F)C[C@H]1[C@H](Br)c1c(Cl)cc(Br)c(F)c1Br 2337095585 CBTLYULEOBGJIT-SHDSVNISSA-N 485.363 6.731 50 10 JKGE CCCc1sc(Br)cc1[C@H](Br)Cc1ccccc1Br 2338019399 DCKPYMXMDMKVCC-CYBMUJFWSA-N 467.064 6.904 50 10 JKGE CCCc1sc(Br)cc1[C@@H](Br)c1c(Br)cnn1CC 2338024053 OYIVSEHXUDPFPB-GFCCVEGCSA-N 471.056 5.926 50 10 JKGE COc1c(Br)cc(C)c([C@@H](Br)c2cc(C)cs2)c1Br 2339653967 OCEAQIULQFIEJP-LBPRGKRZSA-N 469.036 6.383 50 10 JKGE CC1(C)OCCC[C@@]1(CBr)Cc1ccc(Cl)cc1I 2341047922 IWYKQZPMVCJUKV-HNNXBMFYSA-N 457.577 5.457 50 10 JKGE Clc1ccc(I)cc1C[C@@H]1C[C@@H]2CCCC[C@@H]2[C@@H]1Br 2352427597 JQHOJFZOFAVIJI-YLUJIRGKSA-N 453.589 6.077 50 10 JKGE Fc1cc(Br)c(F)c(Br)c1[C@@H](Br)C[C@@H]1CCC[C@@H]2C[C@H]12 2359750219 YTPLQZUJEATPOX-KATARQTJSA-N 472.993 6.752 50 10 JKGE O=S1(=O)CCC[C@@H]([C@H](Br)c2c(F)cc(Cl)c(Br)c2Cl)C1 2360405029 DRIIUPXLUCPFMW-LDWIPMOCSA-N 468.997 5.156 50 10 JKGE COC[C@]1([C@@H](Br)c2c(F)cc(Cl)c(Br)c2Cl)CCCO1 2360406386 KHZPYIMOJQYTQB-STQMWFEESA-N 450.957 5.527 50 10 JKGE Cc1ccnc(COc2c(CBr)ccc(C)c2Br)c1Br 2381140947 SCWKJLDCCRZOJR-UHFFFAOYSA-N 463.995 5.697 50 10 JKGE Cc1cc(C)c([C@H]2C(C#N)=C(N)OC3=C2C(=O)CC(C)(C)C3)cc1COc1ccccc1Cl 2728044 VWWJFTQAPHTPSX-DEOSSOPVSA-N 462.977 5.987 50 10 JKGE COc1cccc([C@H]2C(C#N)=C3N=C(N)c4ccccc4N3C3=C2C(=O)C[C@H](c2ccccc2)C3)c1 3654400 HJWCBHFRONBXNG-HRFSGMKKSA-N 472.548 5.154 50 10 JKGE Cc1cc(Br)cc(C)c1O[C@@H](C)C(=O)NNC(=O)c1sc2ccccc2c1Cl 14643089 FUWJDIQEUSJEPX-LBPRGKRZSA-N 481.799 5.163 50 10 JKGE CC[C@@H](Oc1ccc(-c2ccccc2)cc1)C(=O)NNC(=O)COc1cc(C)c(Cl)c(C)c1 14768292 UATYXYJFSRVTFE-HSZRJFAPSA-N 466.965 5.008 50 10 JKGE CC[C@H](C)c1ccccc1OCC(=O)NNC(=O)[C@@H](CC)Oc1ccc(-c2ccccc2)cc1 14768310 JUDDPAVTWDZBKE-NBGIEHNGSA-N 460.574 5.251 50 10 JKGE Cc1cc([C@H]2C(C#N)=C(N)N(c3ccc([N+](=O)[O-])cc3)C3=C2C(=O)C[C@H](c2ccccc2)C3)c(C)s1 27550727 PXPBCEADYHOYNE-BCHFMIIMSA-N 496.592 5.972 50 10 JKGE COc1cc(/C=C(/C#N)c2nc3ccccc3s2)ccc1OCC(=O)Nc1c(C)cc(C)cc1C 34720130 QBKKJCGWIXCNQY-BKUYFWCQSA-N 483.593 6.312 50 10 JKGE CCc1ccc(O[C@H](C)C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@H]3c2ccc(C(C)(C)C)cc2)cc1 38649861 VAUPUGUECLTYQX-GDJIYFAZSA-N 496.607 6.138 50 10 JKGE N#CC1=C(N)Oc2cc(OC(=O)c3ccccc3F)ccc2[C@@H]1c1ccc(Cl)cc1Cl 38655553 CCBWQRZYYUBBBY-NRFANRHFSA-N 455.272 5.570 50 10 JKGE N#CC1=C(N)Oc2cc(OC(=O)c3cccc4ccccc34)ccc2[C@@H]1c1ccccc1Br 38678800 RGZHOMKJTPBGKU-VWLOTQADSA-N 497.348 6.040 50 10 JKGE N#CC1=C(N)Oc2cc(OC(=O)c3cccc(Cl)c3)ccc2[C@H]1c1c(F)cccc1Cl 38680594 OGBWGSYMTPYIFE-HXUWFJFHSA-N 455.272 5.570 50 10 JKGE Cc1ccc(C)c(NC(=O)c2oc3c(c2C)/C(=N/NC(=O)c2ccc(Br)cc2)CCC3)c1 40811769 OLPLAUJUXMBQHA-TURZUDJPSA-N 494.389 5.690 50 10 JKGE COc1cc(/C=N/NC(=O)COc2ccc(C)cc2C(C)(C)C)ccc1OCc1ccc(Cl)cc1 40846887 QJMJRUFPDKDAKP-OKCVXOCRSA-N 495.019 6.063 50 10 JKGE CCOc1ccc(/C=C(\C#N)C(=O)Nc2nc(-c3ccc(OC(C)C)cc3)cs2)cc1OC 40927278 JUXBFDNDGJAGFS-XDHOZWIPSA-N 463.559 5.550 50 10 JKGE C=CCc1cc(/C=N\NC(=O)CC[C@H](O)c2ccccc2)cc(OC)c1OCc1ccccc1Cl 58892023 NNBIARLLGKDEPE-NYFJFQCHSA-N 493.003 5.620 50 10 JKGE CCOc1cc(/C=C(\C#N)C(=O)Nc2cccc(C(F)(F)F)c2)c(Br)cc1OC 59281819 DZZKRNXQRCYGMW-NTUHNPAUSA-N 469.257 5.421 50 10 JKGE O=C(N/N=C/c1ccc(Br)cc1)c1ccc([C@@H]2Nc3ccccc3[C@@H]3C=CC[C@@H]32)cc1 59471569 KVDXIYHAWLBVSG-VPDWBPRCSA-N 472.386 6.040 50 10 JKGE CC1=C(C#N)C(=O)N(Cc2ccc3c(c2)OCO3)C(=O)/C1=C/c1ccc(-c2ccccc2Cl)o1 101339757 QUGVMXUTKOTRPT-YBFXNURJSA-N 472.884 5.121 50 10 JKGE CCCCCCCCCCOc1ccc(C(=O)N/N=C2/C(=O)Nc3c(OC)cccc32)cc1 103735473 AARCDTSMGHCPTR-UHFFFAOYSA-N 451.567 5.301 50 10 JKGE COc1ccc(Br)cc1[C@H](Br)c1cc(F)ccc1Br 109834559 VJRWYHNOZIFEST-CQSZACIVSA-N 452.943 5.844 50 10 JKGE Cc1ccc(Br)c(-n2c(CCl)nc3cc(I)ccc32)c1 164096721 OWIQSCKXUVEJTG-UHFFFAOYSA-N 461.528 5.440 50 10 JKGE CCOc1ccc(-c2nn(-c3ccccc3)cc2/C=C2\C(=O)N([C@@H](C)CC)C(=O)C(C#N)=C2C)cc1 214253634 TYYKIRDQZFBOLM-LIAPLOTISA-N 480.568 5.329 50 10 JKGE Cc1sc(Br)cc1[C@H](Br)c1ccc(Br)cc1C(F)(F)F 229518598 ZPEXWGCEWRPKBC-GFCCVEGCSA-N 492.980 7.085 50 10 JKGE Fc1c(Br)cccc1[C@@H](Cl)c1cc(Br)c(Br)s1 236126393 OIAIXBVRASXIKW-SECBINFHSA-N 463.391 6.503 50 10 JKGE Fc1ccc([C@@H](Br)c2ccc(F)c(Br)c2)c(I)c1 236181074 CUZAGRXRNJUMGP-ZDUSSCGKSA-N 487.907 5.816 50 10 JKGE Cc1ccc(N=Cc2cc3c(cc2O)OC(N)=C(C#N)[C@@H]3c2ccc(Br)cc2)c(C)c1 252594988 BWVHIWDYFZKWCG-XMMPIXPASA-N 474.358 5.740 50 10 JKGE CC(=NNC(=O)c1cc(-c2ccc(C(C)(C)C)cc2)nc2ccccc12)c1ccc(Cl)s1 252611043 IGMRGCXJBXGKBK-UHFFFAOYSA-N 462.018 7.068 50 10 JKGE Cc1cc(C=NNC(=O)COc2cccc3cccnc23)c(C)n1-c1ccc(C(C)(C)C)cc1 252620039 LWHXNQJMVVSEKA-UHFFFAOYSA-N 454.574 5.469 50 10 JKGE O=C(NN=Cc1ccc(OC(=O)c2ccccc2)cc1)c1ccc(CN2CCc3ccccc3C2)cc1 254853769 JLIRQBQUVJXUJY-UHFFFAOYSA-N 489.575 5.228 50 10 JKGE BrCc1cc(Br)cc(Br)c1OC[C@@H]1C[C@H]2CC[C@H]1C2 311672872 YTFXSUXFDSEHQC-NHCYSSNCSA-N 453.012 5.922 50 10 JKGE C[C@H](Cl)c1nc2cc(F)c(Br)cc2n1[C@H]1CCCN(Cc2ccccc2)C1 312178888 DUNQUHPANOYGQJ-HOCLYGCPSA-N 450.783 6.075 50 10 JKGE FC(F)(F)c1csc([C@@H](Cl)c2cc(Cl)cc(Br)c2)c1Br 380270205 XBMBWYIASQZTIH-JTQLQIEISA-N 468.947 7.274 50 10 JKGE CC(C)(C)OC(=O)N1C[C@@H](CCl)[C@H](c2cc(Br)cc(Br)c2)C1 382710603 HAAAWHBBFWQABW-RISCZKNCSA-N 453.602 5.401 50 10 JKGE FC(F)(F)Oc1cccc([C@@H](Cl)c2cc(Br)c(Br)s2)c1 383618731 BGWKAXMUSAXXLU-SNVBAGLBSA-N 450.501 6.500 50 10 JKGE COc1cc2nc(CCl)n(CCCN(Cc3ccccc3)Cc3ccccc3)c2cc1OC 390501897 UKIOIYWCGWMKBC-UHFFFAOYSA-N 464.009 5.885 50 10 JKGE Clc1cc([C@@H](Cl)c2ccc(I)cc2)c(Cl)c(Cl)c1Cl 404738158 VHPVIAFECYTFEU-JTQLQIEISA-N 466.360 7.233 50 10 JKGE COc1c(Br)cc(Cl)cc1[C@@H](Br)c1nscc1Br 404827257 VZTUEEHMJGEROQ-SECBINFHSA-N 476.415 5.814 50 10 JKGE CC(C)(C)OC(=O)NCCN1c2ccccc2CC[C@@H]1c1ccc(CO[Si](C)(C)C(C)(C)C)cc1 616668273 ITFMHAFLMKRGHO-AREMUKBSSA-N 496.768 7.227 50 10 JKGE Cl[C@@H](c1cccc(I)c1)c1cc(Br)c2c(c1)CCCO2 689609428 FDNDJGBZTLPSAP-HNNXBMFYSA-N 463.540 5.707 50 10 JKGE Cc1cc(Br)c([C@@H](Br)c2ccc(F)c(Br)c2F)cc1Cl 691518855 ZBDNTIZAOCZWCU-LBPRGKRZSA-N 489.379 6.936 50 10 JKGE Cc1cc(Br)c([C@@H](Br)c2occc2Br)cc1Br 696506560 KLGZINLUVGOUPR-LLVKDONJSA-N 487.811 6.360 50 10 JKGE Fc1cc([C@H](Cl)c2scc(Br)c2Br)c(F)cc1Br 705439488 RHPDROSFBVKVGE-JTQLQIEISA-N 481.381 6.642 50 10 JKGE FC(F)(F)c1cc(Cl)ccc1[C@@H](Br)c1cc(Br)c(Cl)s1 712620281 OQFGDLFRTCNHKG-SNVBAGLBSA-N 468.947 7.321 50 10 JKGE CN(C[C@@H]1CCCN(Cc2ccccc2)C1)c1cccc(Br)c1CBr 720017657 ZGDNILSFEJUYSB-SFHVURJKSA-N 466.261 5.692 50 10 JKGE COCc1cc(C)nc2sc(C(=O)NN=Cc3cc(Cl)cc(Cl)c3O)c(-n3cccc3)c12 1081099989 DNJPHPAUHJPNDF-UHFFFAOYSA-N 489.384 5.318 50 10 JKGE C[C@@H](Oc1ccc(C=NNC(=O)Nc2ccc(C34CC5CC(CC(C5)C3)C4)cc2)cc1)C(=O)O 1083916293 HIALRABNMSICAN-KMOWTAILSA-N 461.562 5.162 50 10 JKGE Cc1cc(C)cc(CSCC(=O)NN=Cc2cc(C)n(-c3ccc(Br)cc3)c2C)c1 1084135514 HWXSSXRMADWOJO-UHFFFAOYSA-N 484.463 5.857 50 10 JKGE CC(C)(C)OC(=O)COc1ccc(C=NNC(=O)c2ccc(CSCc3ccccc3)cc2)cc1 1084221588 CFMNPOVVMNSDHB-UHFFFAOYSA-N 490.625 5.604 50 10 JKGE Cc1ccccc1-n1c(C)cc(C=NNC(=O)c2cc3cc(Br)ccc3o2)c1C 1084553913 WFMFYBSXARVGLN-UHFFFAOYSA-N 450.336 5.675 50 10 JKGE Cc1c(C(=O)N2CCCCC2)oc2c1C(=NNC(=O)C(c1ccccc1)c1ccccc1)CCC2 1772748512 LDVLBTXZQDXTET-UHFFFAOYSA-N 469.585 5.203 50 10 JKGE Cc1c(C(=O)Nc2cccc3cccnc23)oc2c1C(=NNC(=O)c1ccc3ccccc3n1)CCC2 1772751302 MNSZDVJHDVXWFI-UHFFFAOYSA-N 489.535 5.407 50 10 JKGE CCCCCOc1ccc([C@@H]2C(C#N)=C(N)Oc3c2c(CCC)nn3Cc2ccc(Cl)cc2)cc1 1865690566 VBGJKTAZFNXWRR-RUZDIDTESA-N 491.035 6.324 50 10 JKGE CCCCOc1ccc([C@@H]2C(C#N)=C(N)Oc3c2c(CCC)nn3Cc2ccc(C)cc2)cc1OC 1865697340 QFDSEVIPOUFVFT-AREMUKBSSA-N 486.616 5.598 50 10 JKGE Cn1cc([C@H]2C(C#N)=C(N)Oc3c2c(-c2ccccc2)nn3Cc2ccc(F)cc2)c2ccccc21 1865699012 IMSJDHFWFHWWCT-RUZDIDTESA-N 475.527 5.447 50 10 JKGE COc1cc([C@H]2C(C#N)=C(N)Oc3c2c(C)nn3-c2ccccn2)ccc1OCc1ccc(Cl)cc1 1865700805 DTKIWRBAYRHNJK-VWLOTQADSA-N 499.958 5.035 50 10 JKGE Cc1nn(-c2ccccc2)c2c1[C@@H](c1ccccc1OCc1ccc(Cl)cc1)C(C#N)=C(N)O2 1865700985 IUWKQDZGWNPDJT-VWLOTQADSA-N 468.944 5.631 50 10 JKGE CCCc1nn(-c2ccccn2)c2c1[C@@H](c1ccccc1OCc1ccccc1Cl)C(C#N)=C(N)O2 1865703047 LNZHADAUAAANHZ-VWLOTQADSA-N 497.986 5.670 50 10 JKGE CCCn1nc(-c2ccccc2)c2c1OC(N)=C(C#N)[C@@H]2c1ccc(N(CC)Cc2ccccc2)cc1 1865706889 HXMBQXQTSXAZEN-MHZLTWQESA-N 489.623 6.205 50 10 JKGE CCc1ccc([C@H]2C(C#N)=C(N)Oc3c2c(-c2ccc(OC)cc2)nn3Cc2ccccc2)cc1 1865708817 GRYALPGKLFZVKQ-VWLOTQADSA-N 462.553 5.388 50 10 JKGE CCc1nn(Cc2ccccc2Cl)c2c1[C@H](c1ccc(Br)cc1)C(C#N)=C(N)O2 1865714293 GPFJJRDEGWDZMU-LJQANCHMSA-N 469.770 5.128 50 10 JKGE CC(C)C[C@H](C(=O)NC[C@H](C)Cl)N1C(=O)c2c(Cl)c(Cl)c(Cl)c(Cl)c2C1=O 1865899555 LOUIWDMGYJHRHK-JGVFFNPUSA-N 474.599 5.054 50 10 JKGE Cc1nc(NC(=O)/C(C#N)=C/c2cccc(Br)c2)sc1C(=O)OCc1ccccc1 1866131864 QYKTTZHIQHPSFF-LICLKQGHSA-N 482.359 5.117 50 10 JKGE COc1ccc([C@H](CC(=O)N[C@@H](C)C(=O)Nc2ccc(SC#N)cc2)c2ccccc2)cc1Cl 1867129381 MVMRXJUUFWMLII-HTAPYJJXSA-N 494.016 5.587 50 10 JKGE Cc1oc(-c2ccc(C(C)C)cc2)nc1CC(=O)NC(C)(C)C(=O)Nc1ccc(SC#N)cc1 1867181754 MELVNKXXTZFGOG-UHFFFAOYSA-N 476.602 5.423 50 10 JKGE COc1ccc(-c2csc(/C(C#N)=C(\O)[C@H](C)Oc3ccc(Cl)cc3Br)n2)cc1 1872746127 TYNHRTMZWDRMAJ-ZNASEZLDSA-N 491.794 6.495 50 10 JKGE COc1ccccc1-c1csc(/C(C#N)=C(\O)c2cc(C(F)(F)F)cc(C(F)(F)F)c2)n1 1872747341 XZQOGHUSHABFFG-SDXDJHTJSA-N 470.394 6.806 50 10 JKGE COc1cc(-c2csc(/C(C#N)=C(\O)CCCOc3ccccc3C)n2)c(OC)cc1Cl 1872756367 IWLVVDYMJQXFJM-JZJYNLBNSA-N 470.978 6.441 50 10 JKGE COc1ccc(Cl)cc1-c1csc(/C(C#N)=C(O)/C=C\c2ccc3c(c2)OCCO3)n1 1872758719 NAZAUKZXZXUWON-IUUVJKRASA-N 452.919 5.749 50 10 JKGE COc1cc(/C=C(\C#N)c2nc(-c3ccc(C)cc3)cs2)ccc1OCc1ccc(C)cc1 1872790446 JAILGQZUUNINSY-ZVHZXABRSA-N 452.579 7.079 50 10 JKGE C=CCOc1ccccc1OC/C(O)=C(\C#N)c1nc(-c2ccc(-c3ccccc3)cc2)cs1 1873940922 NNAOWLLEXKJEJS-BZZOAKBMSA-N 466.562 6.914 50 10 JKGE C[C@@](F)(CO[C@H](CI)c1ccccc1Br)C(F)(F)F 1876652485 XFXLMGMFJINWTI-GHMZBOCLSA-N 455.027 5.232 50 10 JKGE FC1(F)[C@@H]2CC[C@H]([C@@H](Br)c3sc(Br)cc3Br)[C@@H]21 1905693598 QUJDIDXUTJFDFF-CCCGMHFHSA-N 450.968 6.000 50 10 JKGE O=C(c1ccc(Br)cc1Br)N(CCCBr)Cc1ccccc1 1914628195 QINVVEQRHOLCPX-UHFFFAOYSA-N 490.033 5.639 50 10 JKGE Cc1ccc(F)c([C@H](Br)c2sc(Br)c(C)c2Br)c1 1922947090 YMSJKZBSSCENGY-NSHDSACASA-N 457.000 6.513 50 10 JKGE COc1cc(OC)cc([C@@H](Br)c2sc(Br)cc2Br)c1 1922955147 WTCYGWZVJPSSFU-GFCCVEGCSA-N 471.008 5.775 50 10 JKGE C[C@H](c1ccncc1Br)[C@@H](Cl)c1cc(Br)cc(Br)c1 1924042994 HAKLAKUEZGCNMH-XLKFXECMSA-N 468.414 6.453 50 10 JKGE Cl[C@@H](c1cccc(C2CC2)c1)c1c(Br)sc(Br)c1Br 1924568018 AMNSBAPDEIFBJY-LBPRGKRZSA-N 485.466 7.241 50 10 JKGE CC(C)(C1CC1)[C@H](Cl)c1c(Br)sc(Br)c1Br 1924615058 VSPXFDDZPRNVTO-MRVPVSSYSA-N 451.449 6.752 50 10 JKGE CC(C)(C1CCCCC1)[C@H](Cl)c1c(Br)sc(Br)c1Br 1924615680 FBKINTVMBUXVPP-LLVKDONJSA-N 493.530 7.922 50 10 JKGE Fc1cccc([C@H](Br)c2c(Cl)sc(Br)c2Cl)c1Cl 1925588142 NOMLGZHRAPIJSY-ZETCQYMHSA-N 453.385 7.094 50 10 JKGE FC1(F)CC2(C[C@@H]2[C@@H](Br)c2cc(Br)sc2Br)C1 2015442607 HKCLSNAUYRTINZ-SVRRBLITSA-N 450.968 6.145 50 10 JKGE Fc1cc(Br)c([C@H](Br)c2sncc2Br)c(F)c1F 2028525914 XQKZKCMWCLHTQM-ZETCQYMHSA-N 465.914 5.570 50 10 JKGE CS(=O)(=O)c1csc([C@@H](Cl)c2csc(Br)c2Br)c1 2032954241 ZGJQJDROQXWMAH-VIFPVBQESA-N 450.626 5.066 50 10 JKGE CN(Cc1ccccc1)C1CCN(c2c(CBr)ccc(Br)c2Cl)CC1 2036850804 WZSLDOXXXFGUKI-UHFFFAOYSA-N 486.679 6.098 50 10 JKGE CN(Cc1cnn(Cc2ccccc2)c1)c1cc(Br)cc(F)c1CBr 2051132953 JFWOIIVUSIQBKC-UHFFFAOYSA-N 467.180 5.364 50 10 JKGE CC(C)[C@@H]1CCC[C@@H]1[C@H](Cl)c1c(Br)sc(Br)c1Br 2056445946 CGVBRTJMZXHITE-LAEOZQHASA-N 479.503 7.388 50 10 JKGE CC(C)(C)OC(=O)NCCCN(C[C@H]1C[C@@H](Br)C1)c1cccc(Br)c1 2076255780 RITCPRDGHABKQK-FZNQNYSPSA-N 476.253 5.344 50 10 JKGE Cc1ccc([C@@H](Br)c2ccc(Br)cc2Br)cc1Br 2083332967 DOKKDZQJVYICOG-CQSZACIVSA-N 497.850 6.767 50 10 JKGE CCOc1ccc([C@H](Br)c2cccc(Br)c2Br)s1 2086386594 NKHSDULLBLFUSG-CYBMUJFWSA-N 455.009 6.156 50 10 JKGE Fc1ccc(C[C@H](Br)c2cccc(Br)c2Br)c(F)c1 2092334210 GELUPPXMTLLCLE-LBPRGKRZSA-N 454.934 6.169 50 10 JKGE C[C@H]1CCC[C@@](CBr)(Cc2c(Br)cccc2Br)CC1 2100846552 XLGZNLMOIJQNLU-LRDDRELGSA-N 453.056 6.736 50 10 JKGE O=C(c1scc(Br)c1Br)N1[C@H](CBr)C[C@@H]2CCC[C@H]21 2108400284 VUVZSVQSEDGNAW-OYNCUSHFSA-N 472.040 5.051 50 10 JKGE Brc1cc([C@H](Br)[C@H]2C[C@@H]2C2CCCCCC2)c(Br)s1 2135275853 AWYFKJGCKLGYRW-UHIISALHSA-N 471.096 7.316 50 10 JKGE CCN(C[C@](C)(CI)O[C@@H]1CCC[C@H]2CCCC[C@@H]21)C(=O)OC(C)(C)C 2136423303 LZUHBLCFRFMAPN-IIMDRIAPSA-N 479.443 5.813 50 10 JKGE COc1cc(F)c([C@@H](Br)c2nc(C)sc2Br)cc1Br 2138148058 JDOHGOXMIPPMEP-SNVBAGLBSA-N 473.987 5.609 50 10 JKGE Cc1c(Br)ccc([C@@H](Br)[C@@H]2CCCC3(CC3)C2)c1Br 2138860579 BNFFBDDEIMSLNS-ABAIWWIYSA-N 451.040 6.926 50 10 JKGE Cc1c(Br)ccc([C@H](Br)[C@H]2CCCC23CCC3)c1Br 2138875724 IPSDXXZJDHETQH-DOMZBBRYSA-N 451.040 6.926 50 10 JKGE Clc1cc([C@H](Br)c2ccc(Br)c3ccccc23)sc1Cl 2156049194 FTRRYHGTHLUAEM-CQSZACIVSA-N 451.010 7.455 50 10 JKGE BrCc1cc(Br)c(OCC2[C@H]3CCCCC[C@H]23)c(Br)c1 2167300982 YECASZQUOPVOBY-RYUDHWBXSA-N 467.039 6.312 50 10 JKGE ClCc1nc2cc(Cl)c(Br)cc2n1[C@H]1CCOC[C@H]1OCc1ccccc1 2169012068 SSYGNISPCNCDGQ-PKOBYXMFSA-N 470.194 5.738 50 10 JKGE CC(C)(C)OC(=O)N[C@@H](C[S@](C)(=O)=NCc1ccc(CBr)cc1)C(C)(C)C 2182855327 PMQFBEAFBHTIQD-SOKVYYICSA-N 461.466 5.119 50 10 JKGE Cc1c(Br)sc([C@H](Br)[C@H]2C[C@H]2C2CCCCCC2)c1Br 2199989669 OOSGDSDNCNLZLZ-SGMGOOAPSA-N 485.123 7.624 50 10 JKGE Cc1cc(Br)c(C)c([C@H](Br)[C@@H]2CCCC(C)(C)C2)c1Br 2201080017 WIVNGZJNCIHDDV-MLGOLLRUSA-N 467.083 7.481 50 10 JKGE COc1cc(Cl)c([C@H](Br)c2ccc(C)cc2Br)cc1Br 2202350705 FZAVXTRQBISRIW-OAHLLOKOSA-N 483.425 6.666 50 10 JKGE COc1c(Cl)cc(Br)cc1[C@H](Cl)Cc1ccccc1I 2202992660 MZKXYALRFGYLNW-GFCCVEGCSA-N 485.974 6.238 50 10 JKGE Cc1sc(Br)c(C)c1[C@H](Br)c1cc(Br)c(Cl)s1 2213636770 NCLPMVHJAPPHSX-SECBINFHSA-N 479.484 7.089 50 10 JKGE Cc1cc(Br)c([C@@H](Br)[C@H]2C[C@H](Br)C2)c(C)c1Br 2214651819 DCTWIGXGKMYOJO-RVBZMBCESA-N 489.871 6.438 50 10 JKGE CC[C@]1([C@@H](Br)c2cc(Br)c(Br)cc2F)CC1(F)F 2218603088 IUFUFASRHLQKEQ-WDEREUQCSA-N 450.918 6.222 50 10 JKGE Cc1cc(Br)c([C@H](Cl)c2csnc2Br)c(C)c1Br 2220148381 KJYWGBUOQZGXAL-LLVKDONJSA-N 474.443 6.376 50 10 JKGE C[C@@H](C[C@H](Br)c1cc(Br)c(Br)cc1F)CC(C)(C)C 2225618684 ZKUHGCPFZSPARR-ONGXEEELSA-N 459.035 7.249 50 10 JKGE Cc1cc(Br)c([C@@H](Br)[C@@H]2C(C)(C)C2(F)F)c(C)c1Br 2227369989 OVZCPHCSGZBASD-VXGBXAGGSA-N 460.982 6.556 50 10 JKGE CCCCCCCCCCCCO[C@@](C)(CI)CNC(=O)OC(C)(C)C 2231007582 ATMCUXMXDMTWEL-NRFANRHFSA-N 483.475 6.642 50 10 JKGE C[C@H](Cl)c1nc2c(F)cc(Br)cc2n1CC(C)(C)N(C)Cc1ccccc1 2232917864 CCCJRBYTTXCGBF-AWEZNQCLSA-N 452.799 6.148 50 10 JKGE CCCCCCc1ccc([C@H](Cl)c2scc(Br)c2Br)s1 2234123711 KEOPQLHPQRDMIE-AWEZNQCLSA-N 456.696 7.786 50 10 JKGE CCn1ncc(Br)c1[C@@H](Cl)c1c(Br)cc(C)c(Br)c1C 2235614838 LSZYBKJXDNNTNK-ZDUSSCGKSA-N 485.445 6.136 50 10 JKGE Fc1cc(Br)c(Br)cc1[C@H](Cl)Cc1cc(Cl)cc(Cl)c1 2240910025 PWFRFEJRUPVSPU-CYBMUJFWSA-N 461.383 7.180 50 10 JKGE COc1ccc([C@H](Br)c2sncc2Br)c(Br)c1Cl 2256328621 CAOPYJQJTYDGLH-VIFPVBQESA-N 476.415 5.814 50 10 JKGE CCN(C[C@@](C)(CI)OCCc1ccc(C)cc1)C(=O)OC(C)(C)C 2263397133 AFEHNOKGIOEHCK-HXUWFJFHSA-N 461.384 5.005 50 10 JKGE COc1ccc([C@H](Br)c2ccc(Cl)c(I)c2)c(C)c1 2268280791 QVTAZXJDYCXJIC-OAHLLOKOSA-N 451.529 5.746 50 10 JKGE Fc1cc(Br)c(F)c(Br)c1[C@H](Br)CC[C@@H]1CCOC1 2272733599 MSCXMBKVCVPWND-HTQZYQBOSA-N 462.954 5.743 50 10 JKGE Cc1cccc(Oc2ccc(F)c(Cl)c2CBr)c1I 2277890663 WEBXMKZODNAPBF-UHFFFAOYSA-N 455.492 6.079 50 10 JKGE Brc1cc(Br)cc(C[C@H](Br)CC2CCCCCC2)c1 2277962260 FBPUHDWPOGHKBY-CQSZACIVSA-N 453.056 6.878 50 10 JKGE O=C(NCC[C@@H]1CCCC[C@@H]1Br)c1ccc(Cl)c(I)c1 2283660931 FDNXIVNMBKYBMO-JQWIXIFHSA-N 470.576 5.018 50 10 JKGE Fc1cc(Br)c(F)c(Br)c1[C@@H](Br)C[C@H]1CCC12CCC2 2288484296 RBMUJWKXFZCJBX-BDAKNGLRSA-N 472.993 6.896 50 10 JKGE N#CC(=Cc1ccc(Cl)cc1Cl)C(=O)Nc1ncc(Cc2ccc(Cl)c(Cl)c2)s1 2293038752 XVMFIYFUQBAEDY-UHFFFAOYSA-N 483.207 6.893 50 10 JKGE O=C(CCC(=O)Nc1ccc(Cl)cc1Cl)NN=C(C=Cc1ccccc1)c1ccccc1 2293358592 WPPPNSVDZXBBGK-UHFFFAOYSA-N 466.368 5.946 50 10 JKGE COc1cccc(NC(=O)C(C#N)=Cc2cc(C)n(-c3ccc(Br)c(Cl)c3)c2C)c1 2294146948 JQBOBZMMIGTBHK-UHFFFAOYSA-N 484.781 6.064 50 10 JKGE Cc1cc(C(F)(F)F)sc1[C@@H](Br)c1c(Cl)sc(Br)c1Cl 2295058621 BBNCGMJZNILDJQ-LURJTMIESA-N 489.003 7.690 50 10 JKGE COC(=O)c1c(NC=C(C#N)c2nc(-c3cccc(OC)c3)cs2)sc(C(C)=O)c1C 2296185230 QDJVBBMVRMADGI-UHFFFAOYSA-N 453.545 5.154 50 10 JKGE Cc1ccc(Cl)cc1NC(SCc1cccc(F)c1)=C(C#N)S(=O)(=O)c1ccccc1 2297349979 JGYHKQXWUQWCOB-UHFFFAOYSA-N 472.994 6.299 50 10 JKGE Cc1ccccc1NC(SCc1cccc(Br)c1)=C(C#N)C(=O)NCc1ccco1 2297414558 JXXDRKXSVXAVRJ-UHFFFAOYSA-N 482.403 5.747 50 10 JKGE N#CC(=Cc1c(Oc2ccc(Cl)cc2)nc2ccccn2c1=O)C(=O)Nc1cccc(Cl)c1 2297455637 DWZHGFRKHPHYCG-UHFFFAOYSA-N 477.307 5.339 50 10 JKGE COc1ccccc1C=CC=NNC(=O)CSc1nc2ccccc2n1Cc1ccc(Cl)cc1 2297458863 MEUVHMKDNKHLEU-UHFFFAOYSA-N 491.016 5.654 50 10 JKGE CC1(C)[C@H](Br)C(=CBr)c2cccc3c2N1C(=O)C3=NNc1ccccc1 2297731514 AOTAILMKSUIMHL-GOSISDBHSA-N 475.184 5.141 50 10 JKGE Cn1cnc(Br)c1[C@H](Cl)c1cc(Br)ccc1OCc1ccccc1 2300267490 KUMVPMFNLRCJHZ-MRXNPFEDSA-N 470.592 5.852 50 10 JKGE CSc1ccc([C@@H](Br)c2sc(Cl)cc2I)cc1 2300954519 YYZLTOKZCZJFJT-LLVKDONJSA-N 459.599 6.212 50 10 JKGE Cc1cccc([C@H](Br)c2sc(Cl)cc2I)c1Cl 2300996961 BKMOIXSJCAGSBF-JTQLQIEISA-N 461.977 6.452 50 10 JKGE CCOc1cc(C=NNC(=O)c2ccc(Cl)cc2Cl)ccc1OC(=O)C=Cc1ccccc1 2313530244 YYUFIQBGDGOKMY-UHFFFAOYSA-N 483.351 5.775 50 10 JKGE Cc1ccc(Cl)cc1-n1c(C)cc(C=C(C#N)C(=O)N2CCN(c3ccccc3)CC2)c1C 2313568137 RYRQOXMBKNDDHG-UHFFFAOYSA-N 458.993 5.312 50 10 JKGE Cc1ccc(Cl)cc1NC(=O)C(C#N)=Cc1cc(Br)ccc1OCc1cccc(F)c1 2313670824 YRGPVOFILLFAGI-UHFFFAOYSA-N 499.767 6.675 50 10 JKGE N#CC(=Cc1ccc(-c2ccccc2Cl)o1)C(=O)Nc1cc(C(F)(F)F)ccc1Cl 2314571604 IMUWATQPQHCVMF-UHFFFAOYSA-N 451.231 6.818 50 10 JKGE Cc1ccccc1C[C@H]1SC(=C(C#N)C(=O)NCc2ccccc2)N(c2ccc(C(C)C)cc2)C1=O 2314594065 YMHUIOMEZVSIIU-HHHXNRCGSA-N 495.648 5.861 50 10 JKGE COc1cc(C=C(C#N)c2ccc(Cl)cc2)ccc1OC(=O)COc1ccc(Cl)cc1Cl 2314720690 ZJLRYKXNNLTCPQ-UHFFFAOYSA-N 488.754 6.704 50 10 JKGE Fc1c(Br)cc(Cl)c([C@@H](Br)[C@@H]2[C@H]3COC[C@H]32)c1Br 2315444032 QPGDYKWVJVTVMI-BCDWUSSUSA-N 463.366 5.333 50 10 JKGE Cc1ccsc1[C@H](Br)c1c(Cl)cc(Br)c(F)c1Br 2315449464 PHIDEPJASCRCII-SNVBAGLBSA-N 477.418 6.858 50 10 JKGE Cc1ccc([C@@H](Br)c2c(Cl)cc(Br)c(F)c2Br)o1 2315449525 QETAQAXGWZDDAQ-SNVBAGLBSA-N 461.350 6.390 50 10 JKGE COc1ccc([C@@H](Cl)c2sc(Cl)cc2I)c(Br)c1 2316599725 VLIJPMMNEKHPRA-LLVKDONJSA-N 477.976 6.105 50 10 JKGE BrCc1ccc(OCc2cc(I)ccc2Br)cc1 2319164737 JOXCQGWLFHDZKW-UHFFFAOYSA-N 481.953 5.528 50 10 JKGE N#CC(C(=O)CSc1ncnc2scc(-c3ccccc3)c12)=C1Nc2ccccc2S1 2320729571 PNZPPXJBDAKQBA-UHFFFAOYSA-N 458.593 5.972 50 10 JKGE CCOc1cc(C=C(C#N)c2nc(-c3ccc(Cl)cc3)cs2)cc([N+](=O)[O-])c1OCC 2323831893 PCJNIXOAXYMRBA-UHFFFAOYSA-N 455.923 6.233 50 10 JKGE CC(C)(C)[C@@](C)(CBr)CN1CCC12CCN(C(=O)OCc1ccccc1)CC2 2327074803 BVAXZCQNVGJABL-QFIPXVFZSA-N 451.449 5.311 50 10 JKGE CC[C@H](C)[C@H](C(O)=C(C#N)c1nc(-c2ccc([N+](=O)[O-])cc2)cs1)N1C(=O)c2ccccc2C1=O 2331281425 VYFGMLCFLCHZDO-LHSJRXKWSA-N 488.525 5.222 50 10 JKGE CCOc1ccc(-c2csc(C(C#N)=C(O)[C@@H](CC(C)C)N3C(=O)c4ccccc4C3=O)n2)cc1 2331305300 NWHWCPPFRHQQRW-HSZRJFAPSA-N 487.581 5.712 50 10 JKGE CCCCCCCOc1ccc(-c2csc(C(C#N)=C(O)c3ccc4nc(C)c(C)nc4c3)n2)cc1 2331345772 XHNXGZUXSBARGL-UHFFFAOYSA-N 498.652 7.669 50 10 JKGE COc1ccc(-c2csc(C(C#N)=C(O)CCCOc3ccc(Cl)cc3)n2)c(C)c1C 2331362181 GHSGANCKCFMKOD-UHFFFAOYSA-N 454.979 6.741 50 10 JKGE COc1ccc(-c2csc(C(C#N)=C(O)c3cc([N+](=O)[O-])cc([N+](=O)[O-])c3)n2)c(C)c1C 2331362903 SQIZEXMUARSOBM-UHFFFAOYSA-N 452.448 5.202 50 10 JKGE CCOc1ccc(-c2csc(C(C#N)=C(O)C34CC5CC(CC(C5)C3)C4)n2)c(OCC)c1 2331389263 JXGIVRSTTGMHEV-UHFFFAOYSA-N 450.604 6.617 50 10 JKGE CCOc1cc(C=C(C#N)c2nc(-c3cccc(Cl)c3)cs2)ccc1OCc1ccccc1C 2331440121 DVOPTXHGYFOHRF-UHFFFAOYSA-N 487.024 7.814 50 10 JKGE COc1cc(C=C(C#N)c2nc(-c3ccc(F)c(C)c3)cs2)ccc1OCCc1ccccc1 2331447339 IAIHJGMYEBSUCU-UHFFFAOYSA-N 470.569 6.952 50 10 JKGE COc1cc(OC)c(OC)cc1C=C(C#N)c1nc(-c2cc(Cl)cc(Cl)c2OC)cs1 2331467300 ZXGBSHQFAHDQBP-UHFFFAOYSA-N 477.369 6.215 50 10 JKGE CCCOc1c(C=C(C#N)c2nc(-c3cc(OCC)ccc3OCC)cs2)cccc1OC 2331470170 PCJYCSOJHZFHHI-UHFFFAOYSA-N 464.587 6.469 50 10 JKGE Cc1cc(Br)c([C@@H](Br)[C@@H]2C[C@H]2C(C)(C)C)c(C)c1Br 2333709031 UDATURONYXJLIJ-HFAKWTLXSA-N 453.056 6.947 50 10 JKGE Brc1ccc(OCc2ccccc2)c([C@@H](Br)[C@H]2CCn3ccnc3C2)c1 2336057905 WFBXEHRFPGYXMD-KKSFZXQISA-N 476.212 5.923 50 10 JKGE C[C@H]1CN(Cc2ccc(Cl)c(I)c2)CC[C@@H]1CCBr 2337228363 WGJPFVJZRPXFCO-AAEUAGOBSA-N 456.593 5.188 50 10 JKGE CCCc1sc(Br)cc1[C@@H](Cl)c1cc(Cl)ccc1I 2338023615 JJRJDYNAZYKHAI-AWEZNQCLSA-N 490.031 7.049 50 10 JKGE COc1c(Br)cc(C)c([C@H](Br)C2CCOCC2)c1Br 2339649999 ASIIZLIUBVJUSZ-GFCCVEGCSA-N 457.000 5.391 50 10 JKGE COc1c(Br)cc(C)c([C@H](Br)CCC(C)(C)C)c1Br 2339690985 MTHDHJODQVFVNL-SNVBAGLBSA-N 457.044 6.791 50 10 JKGE Clc1cc(Cl)cc(CC[C@H](Br)c2cccc(I)c2)c1 2341181141 RXCJADXKMZZPNE-HNNXBMFYSA-N 469.975 6.667 50 10 JKGE Cc1ccc(N(C)Cc2ccccc2I)c(CBr)c1Cl 2360646358 SOABBUMHTRJZAA-UHFFFAOYSA-N 464.572 5.784 50 10 JKGE CC1(C)OCCO[C@@H]1[C@H](Cl)c1c(Cl)cc(Br)c(F)c1Br 2362224098 PBANCWUOIAKUPR-ZYHUDNBSSA-N 450.957 5.478 50 10 JKGE COC[C@@]1([C@@H](Cl)c2c(Cl)cc(Br)c(F)c2Br)CCCO1 2362237923 UBXXWAIBBWAXKS-QWHCGFSZSA-N 450.957 5.480 50 10 JKGE Cc1cc(Br)c(F)c(Br)c1[C@H](Br)[C@H]1CCCC(C)(C)C1 2365190994 KGYPPDSBBHXZSU-GXFFZTMASA-N 471.046 7.312 50 10 JKGE Cc1cc(Br)c(F)c(Br)c1[C@@H](Br)[C@@H]1C[C@H]1C1CCCC1 2365229234 XUXQPCQGBJWAJN-WDMOLILDSA-N 469.030 6.921 50 10 JKGE O=C(Nc1ccc(CBr)c(F)c1)c1cc(Br)ccc1Br 2367668189 DHIIRVLZOXGKLG-UHFFFAOYSA-N 465.942 5.498 50 10 JKGE Cc1cc(Br)c(C)c([C@H](Br)[C@@H]2CC[C@@H]2C(C)(C)C)c1Br 2369230247 OEAIXXLIQQKVPG-BFQNTYOBSA-N 467.083 7.337 50 10 JKGE CC1CCC([C@@H](CBr)NCc2ccc(Br)cc2Br)CC1 2379756363 XTFFCXFZYXCOHX-ZEPSKSRBSA-N 468.071 5.891 50 10 JKGE COc1cccc(N/C(SCc2ccc(C)cc2C)=C(/C#N)C(=O)NCc2cccs2)c1 3058987 XWAXCSUDIKBHJY-WJTDDFOZSA-N 463.628 5.770 50 10 JKGE O=C(NNC(=S)Nc1ccc(Nc2ccccc2)cc1)C(c1ccccc1)c1ccccc1 33366776 LCCCLAYVVFBIHI-UHFFFAOYSA-N 452.583 5.580 50 10 JKGE O=C(N/N=C\c1ccc(N2N=C(c3ccccc3)C[C@H]2c2cccc3ccccc23)cc1)c1ccncc1 33399419 KFOBGESELLTWPC-HCCFGXPJSA-N 495.586 6.354 50 10 JKGE CCCOc1ccc(-c2nn(-c3ccccc3)cc2/C=C(/C#N)C(=O)NCc2ccco2)cc1Cl 35447345 WJSVZIYGUQIZKO-ZHZULCJRSA-N 486.959 5.798 50 10 JKGE Cc1c(C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@H]3c2cccc3ccccc23)oc2ccc(F)cc12 38688556 UQWRVTGEHKWZAY-MHZLTWQESA-N 490.490 6.471 50 10 JKGE Cc1ccc(NC(=O)c2oc3c(c2C)/C(=N/NC(=O)c2ccc([N+](=O)[O-])cc2)CCC3)cc1Cl 40812189 CDRHHEDHYNHWEF-ZXVVBBHZSA-N 480.908 5.181 50 10 JKGE Cc1ccc2cccc(OC(=O)c3oc4c(c3C)/C(=N/NC(=O)c3ccc([N+](=O)[O-])cc3)CCC4)c2n1 40812249 KXOXMVCNZQCICU-ZTKZIYFRSA-N 498.495 5.042 50 10 JKGE Cc1c(C(=O)Nc2ccccc2)oc2c1/C(=N/NC(=O)C(c1ccccc1)c1ccccc1)CCC2 40815541 FVNAKSVDUVNYQY-FEZSWGLMSA-N 477.564 5.829 50 10 JKGE N#C/C(=C/c1ccc(OC(=O)c2cccc3ccccc23)cc1)C(=O)Nc1cccc(Cl)c1Cl 59117349 ZRQPFSLRFHPOCO-CYVLTUHYSA-N 487.342 6.911 50 10 JKGE N#C/C(=C/c1cn(Cc2ccc(Cl)cc2Cl)c2ccccc12)C(=O)NCc1cccs1 59534458 PMHDYTYYCKOZQN-YVLHZVERSA-N 466.393 6.281 50 10 JKGE Brc1ccc([C@@H](Br)c2cccc(I)c2)cc1 71094729 DHUGCYPBYNPRDJ-CYBMUJFWSA-N 451.927 5.538 50 10 JKGE C[C@@H]1CCCC[C@@H]1NC(=O)[C@@H](c1ccc(Cl)cc1)N(C(=O)CCl)c1ccc(Cl)cc1 97914268 WVMCCJIBNSDMCC-UPKQVVFYSA-N 467.824 6.001 50 10 JKGE C[C@@H]1CCCC[C@H]1NC(=O)[C@@H](c1ccccc1Cl)N(Cc1ccc(F)cc1)C(=O)CCl 97914366 HXLLLOCDCJMOMF-FQQGMQMYSA-N 465.396 5.483 50 10 JKGE CCCCCN1C(=O)C(C#N)=C(C)/C(=C\c2cn(-c3ccccc3)nc2-c2cccc([N+](=O)[O-])c2)C1=O 101333244 KJGWOHIOPCZMQT-LFVJCYFKSA-N 495.539 5.230 50 10 JKGE CCCCCCCCC[C@@H](Br)c1cc(Br)ccc1Br 115065252 GSJIPGJNSIYMIH-OAHLLOKOSA-N 455.072 7.788 50 10 JKGE Fc1ccc(CC(CBr)(CBr)c2ccccc2Cl)c(Cl)c1 118877891 FWJLOWMLRCZOER-UHFFFAOYSA-N 454.992 6.403 50 10 JKGE COc1ccc([C@@H](Br)c2cc(Br)c(Br)s2)cc1F 128213706 AKOLKVLEGNNAKZ-LLVKDONJSA-N 458.972 5.905 50 10 JKGE CCOc1ccc([C@H](Br)c2ccc(Br)c(C)c2)c(Br)c1 137916330 BXUDZGXBJTUSDC-MRXNPFEDSA-N 463.007 6.403 50 10 JKGE C[C@@](CI)(OCc1ccc(Cl)cc1)c1ccccc1Br 162443703 KOJYRFTUXJGIRO-INIZCTEOSA-N 465.556 5.970 50 10 JKGE COC(=O)[C@H]1CN(Cc2ccccc2)C[C@H]1c1cnc2cc(CO[Si](C)(C)C(C)(C)C)oc2c1 214513949 WACXTLNTNYCVSK-GOTSBHOMSA-N 480.681 5.738 50 10 JKGE C[C@H]1CC[C@H](CC(CBr)(CBr)c2cccc(Br)c2)O1 232063457 IIOOUXJYTXGAIC-SMDDNHRTSA-N 455.028 5.434 50 10 JKGE O=C(NC[C@H](Br)c1ccccc1)c1ccc(Br)cc1Br 232472442 FGUJFRLHHIILGD-AWEZNQCLSA-N 461.979 5.078 50 10 JKGE Fc1cc(Br)c(Cl)cc1[C@@H](Br)c1csc(Br)c1 236227144 FFIIAWBVPRIGCD-NSHDSACASA-N 463.391 6.550 50 10 JKGE COc1cc(C=NNC(=O)c2cccc(F)c2)ccc1OC(=O)c1ccc(Cl)cc1Cl 252618453 LGYZKIDMXKOJQK-UHFFFAOYSA-N 461.276 5.124 50 10 JKGE CCCCCCCCOc1ccc(-c2cc(C(=O)NN=Cc3ccccc3[N+](=O)[O-])[nH]n2)cc1 254629557 UXEZFAVAKMLHOD-UHFFFAOYSA-N 463.538 5.488 50 10 JKGE CC[C@H]1CCc2sc(C(=O)NN=C(C)c3ccc(OC)c(CSc4ncccn4)c3)cc2C1 254827279 OLJBBEUJGARQEM-KRWDZBQOSA-N 480.659 5.508 50 10 JKGE BrCc1cc(Br)cc(Br)c1OCCOCc1ccccc1 309861488 DKBGAIMZNLRWMM-UHFFFAOYSA-N 479.006 5.702 50 10 JKGE Brc1ccc([C@H](Br)c2cc(I)cc3c2OCC3)cc1 311509377 BSGITMJJWALPKQ-AWEZNQCLSA-N 493.964 5.473 50 10 JKGE C[C@@H](Cl)c1nc2cc(I)ccc2n1C[C@@H](C)N(C)Cc1ccccc1 390459842 BQLLWPZJAWZNHF-HUUCEWRRSA-N 467.782 5.461 50 10 JKGE Clc1ccc(I)c(C[C@H]2CCc3ccccc3[C@H]2Br)c1 405349813 TVUJPWBWHBKDGC-PXAZEXFGSA-N 461.568 6.186 50 10 JKGE CC(C)(C)OC(=O)NCCN1CCCOC[C@H]1c1cccc(CCO[Si](C)(C)C(C)(C)C)c1 616649242 SPLXDEUHIOHSMR-QHCPKHFHSA-N 478.750 5.539 50 10 JKGE C[C@H](COc1c(Br)cc(Br)cc1CBr)CC(F)F 687882285 IPEPWAPRQOOIRZ-ZETCQYMHSA-N 450.943 5.777 50 10 JKGE C[C@H](COc1c(Br)cc(Br)cc1CBr)c1ccccn1 692937429 QHPUFBLEDVWQRY-SNVBAGLBSA-N 463.995 5.684 50 10 JKGE Brc1ccc(Br)c([C@@H](Br)c2ncsc2Br)c1 704963258 KXOKBNKOLIVSCK-MRVPVSSYSA-N 490.840 5.915 50 10 JKGE C[C@H](Br)C[C@H]1CCCN1C(=O)c1scc(Br)c1Br 705408001 DXGFWFQKOHCWAK-JGVFFNPUSA-N 460.029 5.051 50 10 JKGE O=C(NN=Cc1ccc(Cl)cc1)c1scc2c1NC(=O)C2(c1ccccc1)c1ccccc1 888105377 CPEIGNBBHZTNHY-UHFFFAOYSA-N 471.969 5.452 50 10 JKGE N#C/C(=C/c1cn(Cc2c(F)cccc2Cl)c2ccccc12)C(=O)NCc1ccc2c(c1)OCO2 1084103053 OEYLPKWVMRERSM-WQRHYEAKSA-N 487.918 5.434 50 10 JKGE CC(=NNC(=O)COc1ccc2cc(Br)ccc2c1Br)c1ccc(C)cc1 1084252455 FFJHZCKQZSXSJB-UHFFFAOYSA-N 490.195 5.592 50 10 JKGE O=C(COc1cccnc1NC(=O)Oc1ccc([N+](=O)[O-])cc1F)Nc1cccc(Cl)c1Cl 1858683654 YFOQSQZZZNQKIT-UHFFFAOYSA-N 495.250 5.064 50 10 JKGE CCCOc1ccc(-c2nc3ccc(C(=O)Nc4ccc(SC#N)cc4)cc3[nH]2)cc1OCC 1861859944 CHOPBBFAKJJSOU-UHFFFAOYSA-N 472.570 6.243 50 10 JKGE COc1ccc(-n2nc(-c3ccccc3)c3c2OC(N)=C(C#N)[C@@H]3c2ccc(Cl)c(Cl)c2)cc1 1865684990 CKVFWTNKXBFOSG-QFIPXVFZSA-N 489.362 6.073 50 10 JKGE CC(C)c1ccc([C@H]2C(C#N)=C(N)Oc3c2c(-c2ccccc2)nn3Cc2cccc(Cl)c2)cc1 1865685392 IPRLKYFRANYNHV-VWLOTQADSA-N 480.999 6.593 50 10 JKGE COc1ccc(-c2nn(Cc3ccccc3)c3c2[C@H](c2ccc(C(C)C)cc2)C(C#N)=C(N)O3)cc1 1865685842 NFUOLJZNSZYODV-AREMUKBSSA-N 476.580 5.949 50 10 JKGE Cc1ccsc1[C@H]1C(C#N)=C(N)Oc2c1c(-c1ccccc1)nn2-c1ccc(Cl)c(Cl)c1 1865699316 QKBGKWVIPDWUSX-IBGZPJMESA-N 479.392 6.434 50 10 JKGE Cc1ccc(-n2nc(C)c3c2OC(N)=C(C#N)[C@H]3c2ccccc2OCc2ccc(Cl)cc2)cc1 1865701244 PZGYNKRFGWMBDV-AREMUKBSSA-N 482.971 5.940 50 10 JKGE C[C@H](Cc1ccc(F)cc1)C(=O)N[C@@H](Cc1ccc(F)cc1)C(=O)Nc1ccc(SC#N)cc1 1866821811 MDFAZMSGOGFKMP-OSPHWJPCSA-N 479.552 5.083 50 10 JKGE CC(C)[C@@H](C(=O)N[C@@H](Cc1ccccc1)C(=O)Nc1ccc(SC#N)cc1)c1ccc(F)cc1 1866970111 WAFWYPHODRASSJ-LOSJGSFVSA-N 475.589 5.505 50 10 JKGE CCCC[C@H](NC(=O)[C@@H](c1ccc(OC)cc1)C(C)C)C(=O)Nc1ccc(SC#N)cc1 1866979576 KAQUNYZLGIFQAT-XZOQPEGZSA-N 453.608 5.322 50 10 JKGE CCc1nc(Nc2ccc(SC#N)cc2)cc(N2CCC(CS(=O)(=O)c3ccccc3)CC2)n1 1868277666 DIDBTAKPNHIDLU-UHFFFAOYSA-N 493.658 5.046 50 10 JKGE CCc1nc(Nc2ccc(SC#N)cc2)cc(N2CCc3ccccc3[C@H]2c2cccc(F)c2)n1 1868278204 VZYQZBBUFRDKOO-MUUNZHRXSA-N 481.600 6.647 50 10 JKGE Cc1ccccc1-c1nc(Nc2ccc(SC#N)cc2)cc(N2CCN(c3ccccc3)C(=O)C2)n1 1868301691 VBZADFMLOKLRDJ-UHFFFAOYSA-N 492.608 5.622 50 10 JKGE CCCc1nc(Nc2ccc(SC#N)cc2)cc(N2CCN([C@H](C)c3cccs3)CC2)n1 1868389484 VYOGXTMFIKAEDD-GOSISDBHSA-N 464.664 5.691 50 10 JKGE CC(C)(C)N1C(=O)c2ccc(/C(O)=C(\C#N)c3nc(-c4ccccc4Cl)cs3)cc2C1=O 1872746422 HDDWTKJDXQTYQX-JZJYNLBNSA-N 463.946 5.808 50 10 JKGE Cc1ccc(C(C)(C)C)cc1-c1csc(/C(C#N)=C(\O)[C@@H](C)N2C(=O)c3ccccc3C2=O)n1 1872756208 UPEABEWFNQHEPR-DLTPIXJPSA-N 471.582 5.893 50 10 JKGE Cc1cc(C)c(-c2csc(/C(C#N)=C(\O)[C@H](C(C)C)N3C(=O)c4ccccc4C3=O)n2)c(C)c1 1872757290 YTIMDYKPMRIAAW-ODMPFRHRSA-N 471.582 5.849 50 10 JKGE COc1cc(/C=C(\C#N)c2nc(-c3ccc4ccccc4c3)cs2)ccc1OCCN1CCOCC1 1872782745 SKHUKXXYJTXEMF-PCLIKHOPSA-N 497.620 5.747 50 10 JKGE COc1cc(/C=C(\C#N)c2nc(-c3cccc(Cl)c3)cs2)ccc1OC(=O)c1ccccc1 1872790213 SCUZZLWRMOWNLJ-UDWIEESQSA-N 472.953 6.755 50 10 JKGE CC[C@H](C)[C@H](NC(=O)OC(C)(C)C)C(=O)N/N=C/c1cccc(OCc2ccc(Cl)cc2)c1 1873794282 BIKJSKYVIQVRHK-HUQXMHCUSA-N 474.001 5.309 50 10 JKGE CC(C)(C)OC(=O)NCCCCCC(=O)N/N=C/c1ccccc1OCc1ccc(Cl)cc1 1873795715 YRMZSOBYSQBTIN-OGLMXYFKSA-N 474.001 5.454 50 10 JKGE CC(C)(C)[C@@H]1C[C@H]1[C@@H](Cl)c1c(Br)sc(Br)c1Br 1910607434 PEOQUBINOJZFLA-HCVRKRLWSA-N 465.476 6.998 50 10 JKGE Cc1nsc(Br)c1[C@H](Br)c1cc(Br)c(Cl)cc1F 1912940933 BBIWFQFLIKYZPT-SNVBAGLBSA-N 478.406 6.253 50 10 JKGE O=S(=O)(c1ccc(Cl)c(F)c1Cl)N(CCCBr)Cc1ccccc1 1914647849 KOYBTIXIEZDKBM-UHFFFAOYSA-N 455.176 5.108 50 10 JKGE Clc1ccc(CN(Cc2ccccc2)[C@H](CBr)C2CC2)c(Br)c1 1915176670 MGQWBGSXMGCQPP-LJQANCHMSA-N 457.637 6.278 50 10 JKGE CC(C)[C@H](CBr)N(Cc1ccccc1)C(=O)c1c(F)c(F)c(F)c(F)c1F 1915258843 CUXKFUHEAMEOAS-LBPRGKRZSA-N 450.245 5.444 50 10 JKGE O=C(c1ccc(F)c(Br)c1)N(Cc1ccccc1)[C@H](CBr)C1CC1 1915313910 PRGXLZGTDSELLH-GOSISDBHSA-N 455.165 5.404 50 10 JKGE COc1ccc(Br)c(CN(Cc2ccccc2)C2(CBr)CCC2)c1 1915741922 QIRMWROVUCMINE-UHFFFAOYSA-N 453.218 5.778 50 10 JKGE Cc1c(Br)sc([C@@H](Cl)c2cccc(OCc3ccccc3)c2)c1Br 1922887835 OPEIGLRCEBSSQE-KRWDZBQOSA-N 486.656 7.489 50 10 JKGE Cc1cc(Cl)cc([C@@H](Br)c2sc(Br)cc2Br)c1 1922935253 NWSYJCXXFKPOOK-LLVKDONJSA-N 459.428 6.719 50 10 JKGE Cc1csc([C@@H](Br)c2c(Br)sc(Br)c2Cl)c1 1923074112 HGXZARDFVFOJPC-SSDOTTSWSA-N 465.457 6.781 50 10 JKGE C[C@@H]1CCO[C@@H]1[C@H](Cl)c1c(Br)sc(Br)c1Br 1924570028 DGLDKPRDXXTGDQ-VXFFBNABSA-N 453.421 5.741 50 10 JKGE COc1cc([C@H](Cl)c2c(Br)sc(Br)c2Br)ccc1C 1924595616 BLAYYNNNPCMZJE-NSHDSACASA-N 489.454 6.681 50 10 JKGE Brc1cc(Br)c([C@@H](Br)C2(Br)CCC2)s1 1956607618 OTGFLNDIKWSDAD-MRVPVSSYSA-N 467.846 6.027 50 10 JKGE COc1ccc(Br)cc1[C@@H](Br)c1sc(Cl)cc1Br 2036938299 FQUUQILWXSPSCL-LLVKDONJSA-N 475.427 6.419 50 10 JKGE CN(Cc1ccccc1)[C@@H]1CCCCN(c2ccc(Br)cc2CBr)C1 2050045912 FUKIOSAQZOIWQG-HXUWFJFHSA-N 466.261 5.835 50 10 JKGE Fc1ccc([C@@H](Br)c2cc(I)ccc2F)cc1Br 2050465201 VAAJKQXEYOWBGR-CYBMUJFWSA-N 487.907 5.816 50 10 JKGE CC(C)(C)OC(=O)NCCSSCCN[C@@H]1CC[C@@H]2CCCN(C(=O)OC(C)(C)C)[C@@H]2C1 2061264799 UCHCKZKEWINXSE-IPMKNSEASA-N 489.748 5.050 50 10 JKGE COc1cc(C)c([C@H](Cl)c2csc(I)c2)cc1Br 2078000358 ZUVYRQMHEPDMDK-CYBMUJFWSA-N 457.558 5.760 50 10 JKGE Cc1scnc1CC(CBr)(CBr)c1ccc(Br)cc1 2096498882 IICRRGSLZJHJSN-UHFFFAOYSA-N 468.052 5.484 50 10 JKGE ClCc1cc(OCc2cc(Br)ccc2Br)ccc1Br 2118519439 KCUKQIRBCCPTEL-UHFFFAOYSA-N 469.398 6.292 50 10 JKGE Brc1ccc([C@H](Br)[C@H]2C[C@H]3COC[C@H](C3)C2)c(Br)c1 2141804413 WJNPKEHCXNHMQG-JNIYBQFBSA-N 453.012 5.710 50 10 JKGE Cc1cc([C@@H](Cl)c2ccc(Br)cc2I)c(Cl)cc1F 2142288777 VGWOYYSRQWGUOT-AWEZNQCLSA-N 473.938 6.483 50 10 JKGE FC(F)(F)c1cc(Br)ccc1[C@@H](Cl)c1sc(Cl)cc1Br 2154479112 PEXGYBKPTOWEDZ-SNVBAGLBSA-N 468.947 7.274 50 10 JKGE Cc1cc([C@H](Br)c2cc3nc(O)[nH]c3cc2Br)c(Br)s1 2157248067 IKCVVNOCJAJWNR-LLVKDONJSA-N 481.007 5.648 50 10 JKGE Cc1nc(Oc2c(Br)cc([N+](=O)[O-])cc2Br)sc1CBr 2164482051 LXPHKEJQZHRXSY-UHFFFAOYSA-N 486.967 5.572 50 10 JKGE COc1cc(Cl)c([C@@H](Br)c2cc(I)ccc2F)cc1Cl 2169667625 HTYFAASBTPBEQP-CQSZACIVSA-N 489.937 6.230 50 10 JKGE Fc1ccc(Br)cc1[C@@H](Br)c1c(Br)cc(F)c(Cl)c1F 2201616967 CGSFZFXCPPFZRF-LLVKDONJSA-N 493.342 6.767 50 10 JKGE COc1c(Cl)cc(Br)cc1[C@@H](Br)Cc1ccc(Br)cc1 2203002146 JRFRCLPLMGKMJH-ZDUSSCGKSA-N 483.425 6.552 50 10 JKGE Cc1c(Cl)cc([C@H](Br)c2cc(Cl)c(F)cc2Cl)cc1Br 2204291748 XEVNHDSOACSUNZ-AWEZNQCLSA-N 461.383 7.341 50 10 JKGE Cc1cc([C@H](Cl)c2cc(Br)cc3c2OCC3)ccc1I 2207100777 DGBMJKPDOCVLBO-HNNXBMFYSA-N 463.540 5.625 50 10 JKGE ClC[C@@H](Cc1cccc(Br)c1)Cc1ccc(I)c(Cl)c1 2208043680 JFZNBAHDDMODTO-ZDUSSCGKSA-N 484.002 6.347 50 10 JKGE Cc1cc(Br)c([C@@H](Br)C2(Br)CC2)c(C)c1Br 2211161032 DDDYFPZEQAOYCQ-LLVKDONJSA-N 475.844 6.192 50 10 JKGE FC(F)(F)[C@@H]1CC[C@H]1[C@H](Br)c1sc(Br)cc1Br 2212877186 JOICAUPBHCPSPM-LRMHIPNDSA-N 456.947 6.298 50 10 JKGE Cc1sc([C@@H](Br)Cc2ccc(Br)cc2Cl)cc1Br 2221698879 BKSSAWSVJLVLCO-NSHDSACASA-N 473.455 6.914 50 10 JKGE CC(C)(C1CCCC1)[C@@H](Br)c1cc(Br)c(Br)cc1F 2225614904 AOQPZPHDQWSNKF-AWEZNQCLSA-N 457.019 7.003 50 10 JKGE Clc1ccc([C@H](Br)Cc2ccc(Br)cc2Cl)c(Br)c1 2229149203 GNKKHSOJSURSAF-GFCCVEGCSA-N 487.844 7.197 50 10 JKGE Brc1scc([C@@H](Br)c2ccc([C@@H]3CCOC3)s2)c1Br 2231740158 BIDRYIRIIIOXRM-RDDDGLTNSA-N 487.076 6.323 50 10 JKGE FC(F)(F)[C@@H]1CCO[C@H]1[C@@H](Br)c1cc(Br)ccc1Br 2231815528 XIXPOXKCBSQZBX-DVVUODLYSA-N 466.917 5.615 50 10 JKGE Brc1cc2sc([C@H](Br)c3cocc3Br)cc2s1 2252903840 YJWGSXZZMPJYTO-LLVKDONJSA-N 457.006 6.565 50 10 JKGE CC(C)[C@H](CBr)N(Cc1ccccc1)C(=O)c1cc(F)c(Br)cc1F 2255688286 SYMPUCHZWUVURE-SFHVURJKSA-N 475.171 5.789 50 10 JKGE CS(=O)(=O)c1cscc1[C@@H](Br)c1cc(Br)c(Br)s1 2260091505 KFGGHXNYOOIKRB-SECBINFHSA-N 495.077 5.222 50 10 JKGE COCCc1ccc([C@@H](Br)c2ccc(Cl)c(I)c2)cc1 2283586958 NSGSHHCKUFXTTR-MRXNPFEDSA-N 465.556 5.618 50 10 JKGE FC(F)[C@@H]1CCC[C@@H]1COc1c(Br)cc(CBr)cc1Br 2285557692 HFJZZWJFSBVLPM-NXEZZACHSA-N 476.981 6.167 50 10 JKGE Cc1ccc(N2C(=O)[C@H](Cc3cccc(Cl)c3)SC2=C(C#N)C(=O)NCc2ccccc2)cc1 2293038895 GBRMGPJFCNTXRK-DEOSSOPVSA-N 488.012 5.391 50 10 JKGE Cc1ccc(NC(=O)C(C#N)=Cc2cc(Cl)cc(Cl)c2OCCOc2ccc(C)cc2)cc1 2293700534 DYWORNIKYQBFDG-UHFFFAOYSA-N 481.379 6.614 50 10 JKGE N#CC(C(=O)Nc1ccccc1Cl)=C1S[C@H](Cc2ccc(Cl)cc2)C(=O)N1c1ccccc1 2296507002 OSTOWPRTILEEHY-JOCHJYFZSA-N 494.403 6.058 50 10 JKGE O=C(Cc1ccc(Br)c2ccccc12)NN=CC(Br)=Cc1ccccc1 2296695649 GCLZZRZYQHGVGU-UHFFFAOYSA-N 472.180 5.683 50 10 JKGE COc1cc(C=C(C#N)c2ccc(Cl)cc2)cc(Cl)c1OCc1cccc(C(=O)O)c1 2297368605 HJOSNVSFXONRMV-UHFFFAOYSA-N 454.309 6.343 50 10 JKGE COc1cc(C=C(C#N)c2ccc(F)cc2)cc(I)c1OCc1ccccc1 2297373742 YZVKXKLFZCKHAO-UHFFFAOYSA-N 485.296 6.082 50 10 JKGE Cc1ccc(NC(=O)C(C#N)=Cc2cc(Cl)c(OCc3ccc(F)cc3)c(Br)c2)cc1 2313568429 SDTWRTRSUCYKIZ-UHFFFAOYSA-N 499.767 6.675 50 10 JKGE CCOc1cc(C=C(C#N)C(=O)NCc2ccc(OC)cc2)ccc1OCc1ccc(F)cc1 2313675634 HAQQXQIVBMMNIC-UHFFFAOYSA-N 460.505 5.035 50 10 JKGE N#CC(=Cc1cc(Cl)ccc1OCc1cccc(F)c1)C(=O)Nc1cccc(C(F)(F)F)c1 2313676911 XPXPRQHBJNTHRS-UHFFFAOYSA-N 474.841 6.623 50 10 JKGE CCOc1cc(C=C(C#N)C(=O)Nc2cccc([N+](=O)[O-])c2)ccc1OCc1cccc(F)c1 2313681229 VWBXEHZBBVLXLW-UHFFFAOYSA-N 461.449 5.257 50 10 JKGE Cc1ccc(Cl)cc1NC(=O)C(C#N)=Cc1cn(Cc2ccc(Cl)c(Cl)c2)c2ccccc12 2313738845 SHILXIDWGBDWNS-UHFFFAOYSA-N 494.809 7.504 50 10 JKGE C=CCOc1ccc(-c2nn(-c3ccccc3)cc2C=C(C#N)c2nc(O)c3ccccc3n2)c(C)c1 2314433875 VZECTIYDEGTJHA-UHFFFAOYSA-N 485.547 6.126 50 10 JKGE CC1([C@@H](Br)c2cc(Br)ccc2OCc2ccccc2)CC2(CCC2)C1 2314443820 IKSIWYJIMYZXLJ-FQEVSTJZSA-N 464.241 7.435 50 10 JKGE CC1(C)CO[C@@H](C[C@@H](Br)c2cc(Br)ccc2OCc2ccccc2)C1 2314451057 BLTZPFYPLQHYLI-PKOBYXMFSA-N 468.229 6.669 50 10 JKGE CCOc1cccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)C=Cc4ccc(C)cc4)ccc32)c1 2314634840 SMMKSSAOOBGZCI-MHZLTWQESA-N 452.510 5.231 50 10 JKGE CCCCOc1ccc(C=C(C#N)C(=O)Oc2ccc(N3C(=O)c4ccccc4C3=O)cc2)cc1 2314737765 QTHTUDYDNKJHDM-UHFFFAOYSA-N 466.493 5.179 50 10 JKGE CC[C@@]12CC[C@@]([C@@H](Br)c3sc(Cl)cc3I)(CO1)C2 2316771907 OVYSYXCVWNTDPI-AVGNSLFASA-N 461.590 5.791 50 10 JKGE Cc1cc(Br)c([C@H](Br)[C@@H]2C[C@@H]3O[C@H]2[C@H]2C[C@@H]32)cc1Br 2328646115 ARJCADOVIKTHOO-CEIKMHFJSA-N 450.996 5.379 50 10 JKGE Cc1nn(Cc2ccccc2)c2c1[C@H](NC(=O)C(C#N)=Cc1cccc(Br)c1)CCC2 2329694463 RLOQUGWKNCAVQD-JOCHJYFZSA-N 475.390 5.103 50 10 JKGE COc1ccc(-c2csc(C(C#N)=C(O)c3ccccc3C(=O)c3ccccc3)n2)cc1OC 2331242197 BLXIJPPLUAISPL-UHFFFAOYSA-N 468.534 6.008 50 10 JKGE C[C@@H](c1ccccc1)N1C[C@@H](C(O)=C(C#N)c2nc(-c3ccc(Br)cc3)cs2)CC1=O 2331260409 DFCCVNWHMIOIAP-YJBOKZPZSA-N 494.414 5.975 50 10 JKGE CCCOc1ccc(-c2csc(C(C#N)=C(O)COc3ccc(CCC)cc3)n2)cc1OCCC 2331293452 NDHBVGCTHZHTNS-UHFFFAOYSA-N 492.641 7.212 50 10 JKGE Cc1c(C(O)=C(C#N)c2nc(-c3ccc(Cl)c(Cl)c3)cs2)cc([N+](=O)[O-])cc1[N+](=O)[O-] 2331312017 VMNDMZDXKBNBJH-UHFFFAOYSA-N 477.285 6.192 50 10 JKGE COc1cc(-c2csc(C(C#N)=C(O)CCCOc3ccccc3C)n2)c(OC)cc1Cl 2331376908 IWLVVDYMJQXFJM-UHFFFAOYSA-N 470.978 6.441 50 10 JKGE COc1ccc(-c2csc(C(C#N)=C(O)[C@@H](C)Oc3ccc(C(C)C)cc3)n2)c(OC)c1OC 2331412955 VYPVSIWJGSADFT-MRXNPFEDSA-N 480.586 6.219 50 10 JKGE CC1(C)[C@H]2CO[C@]1([C@@H](Br)c1cc(Br)c(Br)cc1F)C2 2334844499 XHLNPNZTIFBFMM-UEXBWHTRSA-N 456.975 5.602 50 10 JKGE Cc1sc([C@@H](Cl)c2c(F)cc(Cl)c(Br)c2Cl)cc1Br 2335302648 RPQZJBNVESUICY-LLVKDONJSA-N 467.412 7.356 50 10 JKGE Brc1cc(OCc2ccccc2)ccc1[C@H](Br)c1cc2c(s1)CCOC2 2336080299 YHTWALGDIQTSIR-NRFANRHFSA-N 494.248 6.647 50 10 JKGE CO[C@H]1C[C@@H](C[C@H](Br)c2c(Cl)cc(Br)c(F)c2Br)C1 2337084245 JFOUIZZZBBYYKL-RNJXMRFFSA-N 479.409 6.255 50 10 JKGE CCCc1sc(Br)cc1[C@H](Cl)Cc1ccccc1I 2338030832 XZQAWMOLORFQQI-GFCCVEGCSA-N 469.613 6.590 50 10 JKGE Clc1cc(I)c([C@H](Br)C23CC4CC(CC(C4)C2)C3)s1 2338558689 NTCYCLLVNGHOOB-IEQZMGIJSA-N 471.629 6.659 50 10 JKGE C[C@@H](c1ccncc1Br)[C@@H](Cl)c1c(Br)c(Br)nn1C 2338707285 BCEIKAGHUQPGPF-QUBYGPBYSA-N 472.406 5.186 50 10 JKGE COc1c(Br)cc(C)c([C@@H](Br)C[C@H](C)C(F)F)c1Br 2339656109 KOTCSAWCYHQAFT-YUMQZZPRSA-N 464.970 6.256 50 10 JKGE Cc1cc(Br)c(F)c(Br)c1[C@@H](Br)C(C1CC1)C1CC1 2339675175 PQYOUNPHIPIVKF-CYBMUJFWSA-N 455.003 6.531 50 10 JKGE BrC[C@H](Cc1ccccc1)Cc1ccc(I)c(Br)c1 2349857814 XNMWTPQAWORILF-CQSZACIVSA-N 494.008 5.850 50 10 JKGE Clc1ccc(I)cc1C[C@@]1(CBr)CCO[C@@H]1C1CC1 2352371274 YCCQIKPXVZIHRK-HUUCEWRRSA-N 455.561 5.067 50 10 JKGE Cc1cc(Br)c([C@@H](Br)[C@@H]2OC[C@@H]3CCC[C@@H]32)c(C)c1Br 2358673042 GIPQLHIZDCCZDZ-DPDCMNJDSA-N 467.039 6.080 50 10 JKGE BrCC(CBr)(C[C@@H]1C[C@@H]2CC[C@H]1C2)c1cccc(Br)c1 2359333676 ZNLDKJHZBVNRIM-RDBSUJKOSA-N 465.067 6.303 50 10 JKGE Cc1nc(Br)c([C@@H](Cl)c2c(F)cc(Br)c(F)c2Br)n1C 2362444787 QQWXGDCVVZLVHE-VIFPVBQESA-N 493.371 5.622 50 10 JKGE CC(C)Oc1ccc([C@@H](Br)c2c(Br)c(Br)nn2C)cc1 2364062567 ALFWKTKLSXWRFH-LLVKDONJSA-N 466.999 5.217 50 10 JKGE Cc1cc(Br)c(F)c(Br)c1[C@@H](Br)[C@H]1CCCC(C)(C)C1 2365190993 KGYPPDSBBHXZSU-GWCFXTLKSA-N 471.046 7.312 50 10 JKGE COc1c(OCc2c(C)cc(C)cc2C)cccc1[C@H]1[C@@H]2CCCC=C2C(C#N)=C(N)C1(C#N)C#N 1457019 FCRRCGGEMZDDTE-AJTFRIOCSA-N 478.596 5.793 50 10 JKGE CCc1ccc(N/C(SCc2ccccc2C)=C(/C#N)C(=O)NCc2ccc3c(c2)OCO3)cc1 3058834 ICSUUFDPIPFBQY-ZZIIXHQDSA-N 485.609 5.683 50 10 JKGE CC(C)(C)c1cc2oc3c(c2c(/C=N/NC(=O)c2sc4ccccc4c2Cl)c1O)CCCC3 8386861 SVRYLMCOWBNRHJ-XODNFHPESA-N 481.017 6.947 50 10 JKGE Cc1cc([C@@H]2C(C#N)=C(N)N(c3ccc(Cl)cc3)C3=C2C(=O)C[C@H](c2ccccc2)C3)c(C)s1 9981326 CMZWEKKBXPEJCD-NIYFSFCBSA-N 486.040 6.717 50 10 JKGE COc1ccc(/C=N/NC(=O)c2ccc(NC(=O)c3ccc(C(C)(C)C)cc3)cc2)c(OC)c1 20116061 ALSWNELCZITZBM-OGLMXYFKSA-N 459.546 5.018 50 10 JKGE C/C(=N\NC(=O)[C@H]1C[C@H]1c1ccc(C(C)(C)C)cc1)c1ccc(NC(=O)c2ccc(Cl)cc2)cc1 20157895 HTARNNOWABQFGZ-FEQVGWTLSA-N 488.031 6.534 50 10 JKGE CC(C)(C)c1ccc(COc2ccc(/C=N/NC(=O)CSc3nc4ccccc4s3)cc2)cc1 32522839 HRBDGLNYAZYORB-LQKURTRISA-N 489.666 6.415 50 10 JKGE CCCOc1ccc(/C=C(\C#N)C(=O)Nc2scc(-c3ccc(OC)cc3)c2C(=O)OCC)cc1 33346507 HFQLOSQWDFQZGY-HMMYKYKNSA-N 490.581 5.935 50 10 JKGE CCOC(=O)c1c(-c2ccc(Cl)cc2)csc1NC(=O)/C(C#N)=C\c1cccc([N+](=O)[O-])c1 33776648 GYDANUNGUYTPKP-YBEGLDIGSA-N 481.917 5.699 50 10 JKGE CCCCOc1cccc(C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@H]3c2ccccc2Cl)c1 38651074 XPZXVKVWFIOJPW-VWLOTQADSA-N 474.944 5.956 50 10 JKGE CCOc1ccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4oc5ccc(F)cc5c4C)ccc32)cc1 38701401 ZMZYMVQWCPDYED-RUZDIDTESA-N 484.483 5.716 50 10 JKGE COc1ccc(Oc2nc3c(C)cccn3c(=O)c2/C=C(/C#N)C(=O)Nc2ccccc2Cl)cc1 39858585 FMKBLEAHUHAFGH-VKAVYKQESA-N 486.915 5.003 50 10 JKGE Cc1cc(C)cc(Oc2nc3ccccn3c(=O)c2/C=C(/C#N)C(=O)Nc2ccc(Cl)cc2)c1 39858761 INHQJHLASKCQFT-JXAWBTAJSA-N 470.916 5.303 50 10 JKGE COC(=O)c1c(NC(=O)/C(C#N)=C/c2ccc(-c3ccccc3Cl)o2)sc2c1CCCC2 39884911 RSFMFBRARZMZQJ-WYMLVPIESA-N 466.946 5.873 50 10 JKGE Cc1c(C(=O)Nc2ccc(Cl)c(Cl)c2)oc2c1/C(=N/NC(=O)c1ccccc1O)CCC2 40826389 FFOAJRSCJGXMQB-WPWMEQJKSA-N 472.328 5.323 50 10 JKGE COc1cc(/C=C(\C#N)c2ccccc2)ccc1OC(=O)COc1ccc(Br)cc1 40851098 ORAJUHGVPZDCHU-CPNJWEJPSA-N 464.315 5.506 50 10 JKGE O=C(Cc1cccc2ccccc12)N/N=C1\C(=O)N(Cc2ccccc2Cl)c2ccccc21 59156931 JNZBMMDPGXXLHV-BXVZCJGGSA-N 453.929 5.103 50 10 JKGE O=C(N/N=C(/CSc1nc2ccccc2s1)c1ccc(-c2ccccc2)cc1)c1cccnc1 59460743 FDLAKSRRHYEJCU-KRUMMXJUSA-N 480.618 6.285 50 10 JKGE CCCOc1ccc(Br)cc1/C=C(/C#N)C(=O)Nc1sccc1C(=O)OC(C)C 96438568 SQRSDZLTYZQMFY-GDNBJRDFSA-N 477.380 5.410 50 10 JKGE CCc1ccc(N2C(=O)[C@H](Cc3ccc(C)cc3)S/C2=C(/C#N)C(=O)NCc2ccccc2)cc1 101240801 JPIZNSMRMOVQGG-HFVAWESISA-N 481.621 5.300 50 10 JKGE N#C/C(=C/Nc1ccc(Br)cc1F)c1nc(-c2ccc(Br)cc2)cs1 102937446 NCCXGZHDSJNRRT-XFXZXTDPSA-N 479.172 6.451 50 10 JKGE Clc1cc(Br)ccc1[C@H](Cl)c1cc2c(cc1Br)OCCO2 109821747 WUAUNLZSVVLQKM-HNNXBMFYSA-N 452.957 5.964 50 10 JKGE COc1ccc(C[C@H](CBr)c2ccc(Br)cc2)cc1Br 118851333 VLSNUMORAUJZIL-CYBMUJFWSA-N 463.007 5.941 50 10 JKGE Fc1cc2c(cc1I)nc(CCCl)n2Cc1sccc1Br 148437222 BUJKSYMDPFVGQT-UHFFFAOYSA-N 499.574 5.434 50 10 JKGE CC(C)(C)OC(=O)N1C[C@@H]2C[C@H]2C[C@@H]1CO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C 208963463 TYABDXDGGLKAFS-RJGXRXQPSA-N 465.710 5.209 50 10 JKGE CCOC(=O)c1c(NC(=O)/C(C#N)=C\c2ccc(-c3ccccc3)o2)sc2c1CC[C@@H](C)C2 209397654 BFRFFLPYKWTZNC-VVZNPABPSA-N 460.555 5.855 50 10 JKGE CCOC(=O)c1c(NC(=O)/C(C#N)=C\c2ccc(OC)c(OCC)c2)sc2c1CC[C@@H](CC)C2 209406631 JVLYNGRUWKLINP-UWCCDQBKSA-N 482.602 5.393 50 10 JKGE COc1cc(Br)c(Oc2ccccc2CBr)cc1Br 218337887 MVGVBEVGMVOIQT-UHFFFAOYSA-N 450.952 5.907 50 10 JKGE CCC(C)(C)c1ccc([C@@H](Br)c2cc(Br)sc2Br)cc1 232845268 FKPRIDIPRAXPQW-CQSZACIVSA-N 481.091 7.445 50 10 JKGE CCOc1ccc([C@H](Cl)c2cc(Br)cc(Br)c2)c(Br)c1 233801849 OIWMQLGVEJLGNM-OAHLLOKOSA-N 483.425 6.701 50 10 JKGE COc1ncccc1COc1c(Br)cc(CBr)cc1Br 234916005 PSVQNMZVYRVKQB-UHFFFAOYSA-N 465.967 5.089 50 10 JKGE Clc1cc([C@H](Cl)c2cc(I)ccc2Br)c(Cl)s1 236039514 NELKKMCEHNCSGX-SNVBAGLBSA-N 482.395 6.750 50 10 JKGE Clc1ccc([C@@H](Br)c2cc(Br)cc3c2OCC3)c(Br)c1 236075531 PAVVYOLUULDMAD-CQSZACIVSA-N 481.409 6.284 50 10 JKGE FC(F)(F)SCCOc1c(Br)cc(CBr)cc1Br 236119644 WCYSBUQJUGDGPV-UHFFFAOYSA-N 472.946 5.738 50 10 JKGE Cc1ccccc1-n1c(SCC(=O)NN=Cc2ccc(C(C)C)cc2)nc2ccccc2c1=O 254756536 SLIMTFKMLQFESC-UHFFFAOYSA-N 470.598 5.060 50 10 JKGE CCCCC[C@H](/C=C\[C@@H]1[C@H](OC(=O)c2ccccc2)C[C@@H]2OC(=O)C[C@@H]21)O[Si](C)(C)C(C)(C)C 256108698 HCFDVFAZKOSMJZ-ZDMRRENASA-N 486.725 6.691 50 10 JKGE Cc1cccc([C@@H](Cl)c2cc(Br)c(Br)s2)c1Br 300466191 GEUIBEFEPMAACO-LLVKDONJSA-N 459.428 6.672 50 10 JKGE FC(F)(F)c1csc([C@H](Cl)c2ccccc2I)c1Br 302653258 WHFKJGNTHNPYFB-SNVBAGLBSA-N 481.502 6.462 50 10 JKGE BrCc1csc2cc(I)c(I)cc12 306619262 SVGRDQWSBUFJFZ-UHFFFAOYSA-N 478.918 5.005 50 10 JKGE CCOc1ccc([C@H](Cl)c2sccc2I)c(Br)c1 311057481 JGYZEIVBEBRPNG-LBPRGKRZSA-N 457.558 5.842 50 10 JKGE COc1cc(F)c(Br)cc1[C@H](Br)c1cccc(OCc2ccccc2)c1 312107231 KSMWUQZCVHCLQN-OAQYLSRUSA-N 480.171 6.660 50 10 JKGE ClCCc1nc2ccccc2n1-c1cc(I)ccc1Br 380474233 UTUSJBYDGAERFM-UHFFFAOYSA-N 461.528 5.174 50 10 JKGE Cc1cccc([C@H]2CN(Cc3ccccc3)C[C@@H]2CI)c1Br 382698352 BPQJGTCXAMKWRK-WMZOPIPTSA-N 470.192 5.408 50 10 JKGE CC(C)(C)OC(=O)N1C[C@@H](CCl)[C@@H](c2cc(Br)cc(Br)c2)C1 382710600 HAAAWHBBFWQABW-BXUZGUMPSA-N 453.602 5.401 50 10 JKGE Brc1cscc1[C@H](Br)c1ccc(Br)c2ccccc12 404732686 CXHLVODJKFBSCC-OAHLLOKOSA-N 461.016 6.911 50 10 JKGE CCC[C@@H]1CC[C@@H](Br)[C@@H](Cc2cc(Cl)ccc2I)C1 405341088 MWWUEEMNMJFZEF-LALPHHSUSA-N 455.605 6.467 50 10 JKGE 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 504051083 PRYJZWFEVZHKQI-OXLATIBQSA-N 477.173 8.857 50 10 JKGE CC(C)(C)OC(=O)Nc1cccc([C@H]2CN(CCO[Si](C)(C)C(C)(C)C)c3ccccc3N2)c1 616686180 YHDDASMVWDUWOH-HSZRJFAPSA-N 483.729 7.029 50 10 JKGE Brc1csc([C@@H](Br)c2ccc3c(c2)OCCO3)c1Br 705466335 PATWSIQUJULTFL-NSHDSACASA-N 468.992 5.529 50 10 JKGE Cc1c(C=NNC(=O)CC[C@@H](O)c2ccccc2)c2ccccc2n1Cc1ccccc1Cl 1083921018 VGOPVJYGCBMQMT-AREMUKBSSA-N 459.977 5.615 50 10 JKGE N#C/C(=C\c1ccc(-c2ccc(Br)c(Cl)c2)o1)C(=O)N1CCN(c2ccccc2)CC1 1083944787 FRUFXWYULPMVDI-NBVRZTHBSA-N 496.792 5.618 50 10 JKGE O=C(NN=Cc1cc(Br)ccc1OCc1cccc(F)c1)c1c[nH]c2ccccc12 1084162232 SWVIFDPSWWLCQI-UHFFFAOYSA-N 466.310 5.412 50 10 JKGE O=C(COc1cccc2ccccc12)NN=Cc1cccc(OCc2cccc(Br)c2)c1 1084229867 UXVGZDIARYJCHH-UHFFFAOYSA-N 489.369 5.710 50 10 JKGE O=C(NN=Cc1cc(Br)ccc1OCc1cccc([N+](=O)[O-])c1)c1cc2ccccc2o1 1084560624 QOOHHPUMDHRDSX-UHFFFAOYSA-N 494.301 5.446 50 10 JKGE CN(C)C(=O)/C(C#N)=C\c1cc(-c2ccccc2)n(-c2ccc(Cl)cc2)c1-c1ccccc1 1084578985 POVSLALFIHTWKR-QJOMJCCJSA-N 451.957 6.460 50 10 JKGE C=CCc1cc(/C=C(\C#N)C(=O)Nc2cccc(Cl)c2Cl)cc(Br)c1OCC#N 1084583722 DDRGYXAXGDRWPW-XNTDXEJSSA-N 491.172 5.932 50 10 JKGE CCCCCOc1ccc([C@H]2C(C#N)=C(N)Oc3c2c(CCC)nn3-c2ccccn2)cc1OC 1865695070 IZVKMRNCUVKOPW-DEOSSOPVSA-N 473.577 5.016 50 10 JKGE CCCOc1ccccc1[C@H]1C(C#N)=C(N)Oc2c1c(-c1ccccc1)nn2Cc1ccc(F)cc1 1865703439 VTCHOMUVCNPLEW-VWLOTQADSA-N 480.543 5.744 50 10 JKGE Cc1ccc(C)c2c1C[C@H](C)CN2c1cc(Nc2ccc(SC#N)cc2)nc(-c2ccc(F)cc2)n1 1868456594 RSYUVSWQTDRMFR-SFHVURJKSA-N 495.627 7.547 50 10 JKGE CCn1c(/C(C#N)=C/c2cccc(OC)c2OCc2c(Cl)cccc2Cl)nc2ccccc21 1872731438 ZRYIGOAWZLBTDD-NBVRZTHBSA-N 478.379 7.015 50 10 JKGE CC(C)COc1cccc(/C(O)=C(\C#N)c2nc(-c3ccc(Br)cc3)cs2)c1 1872746583 OKPCYAXXOHNCKH-VZCXRCSSSA-N 455.377 6.557 50 10 JKGE CCCOc1ccc(-c2csc(/C(C#N)=C(\O)[C@@H]3CC(=O)N(Cc4ccccc4)C3)n2)cc1 1872749571 XTTBQEAHKRRJAK-AYZDXIITSA-N 459.571 5.440 50 10 JKGE Cc1cc(-c2csc(/C(C#N)=C(\O)[C@@H](C(C)C)N3C(=O)c4ccccc4C3=O)n2)ccc1F 1872749726 FMVBWSHIEBIWCA-QUPCICMCSA-N 461.518 5.371 50 10 JKGE CCc1ccc(-c2csc(/C(C#N)=C/c3ccc(OC(=O)c4ccccc4)c(OC)c3)n2)cc1 1872781553 IBXBZWAALHVFHX-HZHRSRAPSA-N 466.562 6.664 50 10 JKGE COc1ccc(-c2csc(/C(C#N)=C/c3cccc(OC)c3OCc3cccc(C)c3)n2)cc1OC 1872781910 VWZVDAYMLXWMGH-OEAKJJBVSA-N 498.604 6.788 50 10 JKGE FC(F)[C@@H]1C[C@@H]1[C@@H](Cl)c1c(Br)sc(Br)c1Br 1894331554 KSFSMHGTNLJPII-ZQVFRVBTSA-N 459.375 6.217 50 10 JKGE CC(C)(C)OC(=O)N[C@@H](CBr)[C@@H]1CCCN(C(=O)OC(C)(C)C)C12CCCC2 1903366588 LSZJZJHWYAIRNF-HOTGVXAUSA-N 461.441 5.235 50 10 JKGE Fc1ccc(Br)c([C@@H](Cl)c2sc(Br)cc2Br)c1 1922940897 MLFVEDIZDHCOSS-SNVBAGLBSA-N 463.391 6.503 50 10 JKGE C[C@@H]1CC[C@](C)([C@@H](Br)c2c(Br)sc(Br)c2Cl)C1(C)C 1923037442 DDAPSYSGAJSUML-LJXOEOAUSA-N 493.530 7.825 50 10 JKGE C[C@H]([C@H](Br)c1c(Br)sc(Br)c1Cl)C(C)(C)C 1923049029 JOFWHANDYKWBEV-VDTYLAMSSA-N 453.465 7.045 50 10 JKGE CCC[C@@H](C)[C@H](Br)c1c(Br)sc(Br)c1Br 1924575895 HGXCMYQUXLXJJU-VDTYLAMSSA-N 483.889 6.908 50 10 JKGE Clc1sc(Br)c(Cl)c1[C@@H](Cl)c1ccc(I)cc1 1925567379 BVROPYJJHVHCEZ-QMMMGPOBSA-N 482.395 6.750 50 10 JKGE CC(C)(CCl)C(=O)Nc1cc(Br)c(I)c(Br)c1 1946434735 NMPALJXKLPQQFR-UHFFFAOYSA-N 495.380 5.020 50 10 JKGE CC[C@@H]1CN(c2ccc(Br)cc2CBr)CCN1Cc1ccccc1 1946745392 XSEIAJAUHZLQAZ-LJQANCHMSA-N 452.234 5.445 50 10 JKGE FCC1([C@@H](Cl)c2c(Br)sc(Br)c2Br)CCC1 1979397572 WOMIDLUWMWHFMS-ZETCQYMHSA-N 455.412 6.455 50 10 JKGE Cc1nc([C@H](Cl)c2sc(Br)c(C)c2Br)c(Br)s1 2003567058 AFHPTIRZAHGKGB-LURJTMIESA-N 480.472 6.437 50 10 JKGE CCc1cc(Br)c([C@H](Br)c2ccc(F)cc2Br)s1 2029232626 KKOXIMLUHDVKCQ-GFCCVEGCSA-N 457.000 6.459 50 10 JKGE Cc1sc(Br)cc1[C@@H](Br)c1cc(Cl)c(Br)cc1F 2034561407 ICLQAYASMTZMTO-GFCCVEGCSA-N 477.418 6.858 50 10 JKGE Cl[C@@H](c1c(Br)sc(Br)c1Br)[C@H]1[C@H]2CCCCC[C@H]21 2048341137 YXALOONRNQXYQN-FBSDJGSXSA-N 477.487 7.142 50 10 JKGE FC1(F)CCC[C@@H]2[C@H]([C@H](Br)c3cc(Br)sc3Br)[C@H]21 2051244506 TWTCPYRPMCEPSZ-MYMYLCHPSA-N 464.995 6.391 50 10 JKGE Cc1sc([C@@H](Br)c2c(Br)nn(C)c2C)c(C)c1Br 2067859477 AAAWVJKXQQJWPJ-JTQLQIEISA-N 457.029 5.416 50 10 JKGE Fc1c(Cn2nc(CCl)c(I)c2C(F)(F)F)cccc1C(F)(F)F 2079210232 MBXGTUHTJMVBAT-UHFFFAOYSA-N 486.556 5.452 50 10 JKGE Cc1cc(Cl)c([C@@H](Br)c2c(Br)cccc2Br)cc1C 2094090589 IVCMMNACQCJALA-OAHLLOKOSA-N 467.426 6.966 50 10 JKGE Cl[C@H](c1cc(C2CC2)c(Br)s1)c1ccc(Br)cc1Br 2094673522 MBBZPHROMOOZDN-ZDUSSCGKSA-N 485.466 7.241 50 10 JKGE BrCc1cc(Br)cc(Br)c1OC[C@H]1CC2(CC2)CO1 2110103283 MNVNQQPFWXMUOO-LLVKDONJSA-N 454.984 5.054 50 10 JKGE CCc1nc([C@H](Br)c2cc(C3CC3)c(Br)s2)c(Br)s1 2113184881 KGFXPZKIUXFHEJ-SNVBAGLBSA-N 486.092 6.654 50 10 JKGE CC(F)(F)c1ccc([C@@H](Br)c2cc(Br)c(Br)s2)cc1 2128391434 XCZUZCVFUYEYTO-LLVKDONJSA-N 474.990 6.869 50 10 JKGE CN(C[C@@H](Cl)C1CCCCC1)c1ncc(I)cc1Br 2133375002 ZULMNLYWELKSTP-CYBMUJFWSA-N 457.581 5.073 50 10 JKGE Cc1cc(Br)c(C)c([C@H](Br)[C@@H]2CCC3(CC3)C2)c1Br 2136371474 OMHAKUUAACPTOH-IAQYHMDHSA-N 451.040 6.845 50 10 JKGE Cc1c(Br)ccc([C@H](Br)[C@]2(C)C[C@H]2C(F)(F)F)c1Br 2138873998 SAUZWMHIKZJHFR-ADEWGFFLSA-N 464.945 6.545 50 10 JKGE Br[C@@H](c1cccc(I)c1)c1ccc(-c2cccs2)s1 2140978152 OKHUSQADEOJJLX-HNNXBMFYSA-N 461.187 6.566 50 10 JKGE COc1c(C)cc(Br)cc1[C@H](Br)c1scc(C)c1Br 2141638957 HDECNYRGBBFLKP-LBPRGKRZSA-N 469.036 6.383 50 10 JKGE C[C@@H]1CCC[C@@](CBr)(Cc2ccc(I)c(Cl)c2)CC1 2142941271 USNJPBZLPAVYRX-WBMJQRKESA-N 455.605 6.469 50 10 JKGE FC1(F)CO[C@@H](CC(CBr)(CBr)c2ccccc2Br)C1 2144788703 IDSRVBQXXHAASR-JTQLQIEISA-N 476.981 5.291 50 10 JKGE BrCc1c(Br)cccc1N1CCc2c(Br)cccc2C1 2149905717 KWBCFEVZBPJBTC-UHFFFAOYSA-N 460.007 5.669 50 10 JKGE O=C(N[C@H](CBr)C1CCCCC1)c1c(Br)cccc1Br 2150488795 PRIFVTZLQGRGFP-CYBMUJFWSA-N 468.027 5.285 50 10 JKGE C[C@@H](CBr)[C@@H]1CCCCN1C(=O)c1c(Br)cccc1Br 2150495791 YYHZMDVFUFQQPJ-GWCFXTLKSA-N 468.027 5.237 50 10 JKGE C[C@H](N(Cc1ccccc1)S(=O)(=O)c1cc(Br)cc(CCl)c1F)C(C)(C)C 2152242003 BRCVQEFIIBVWJM-AWEZNQCLSA-N 476.839 5.953 50 10 JKGE FC(F)(F)[C@@H]1CN(Cc2cccc(Br)c2Br)C[C@@H]1CBr 2163286614 REYOFXJVBZFORL-VHSXEESVSA-N 479.960 5.217 50 10 JKGE FC(F)(F)c1ccc([C@@H](Br)c2cc(Cl)c(Br)s2)c(Cl)c1 2179251219 BPZJYOAGBCGJST-SNVBAGLBSA-N 468.947 7.321 50 10 JKGE FC1([C@H](Br)c2cc(I)cc3c2OCC3)CC2(CCC2)C1 2184396729 XRPZRBUGYLNTLZ-CQSZACIVSA-N 451.117 5.335 50 10 JKGE COc1cc(F)c([C@H](Br)Cc2ccc(Br)cc2)cc1Br 2202903169 AJBLHPZLYIFGNV-GFCCVEGCSA-N 466.970 6.038 50 10 JKGE Clc1cc(Br)ccc1C[C@@H](Br)c1cc(Br)cs1 2215851414 GYNYDIJTLABGQZ-SNVBAGLBSA-N 459.428 6.605 50 10 JKGE Cc1sc([C@@H](Br)c2cc(F)c(Br)cc2F)cc1Br 2218967426 FASSKRQGJVBKTI-LBPRGKRZSA-N 460.963 6.344 50 10 JKGE Cc1cc(Br)c([C@@H](Cl)c2scc(Br)c2C)cc1Br 2219005885 GLPMVYHSDCQGOI-GFCCVEGCSA-N 473.455 6.981 50 10 JKGE Clc1cc(Cl)cc(C[C@@H](Br)c2ccc(I)cc2)c1 2223998999 SXKAGTRSNJCVDT-CQSZACIVSA-N 455.948 6.277 50 10 JKGE COCCC1([C@H](Br)c2c(Br)cc(Cl)c(Cl)c2Cl)CC1 2224303071 RQJBWXVWPRIQAH-GFCCVEGCSA-N 451.413 6.662 50 10 JKGE Fc1cc(Br)c(Br)cc1[C@@H](Br)[C@H]1[C@H]2CCCCC[C@H]21 2225614988 BMHJFDYXWQMBHP-WUEYEGCSSA-N 455.003 6.613 50 10 JKGE Clc1cc(Br)ccc1C[C@H](Br)c1cccc(Br)c1Cl 2229155012 YRKMYKHNWHDHFV-LBPRGKRZSA-N 487.844 7.197 50 10 JKGE COC12CCC([C@H](Br)c3c(Br)sc(Br)c3Cl)(CC1)C2 2231594329 IZZHJCMLXKKSSO-UHEGKEBESA-N 493.486 6.712 50 10 JKGE Fc1ccc([C@@H](Br)c2c(Br)cc(Cl)c(Cl)c2Cl)c(F)c1 2232514334 USXLZSZJZVLHTM-LLVKDONJSA-N 465.346 7.172 50 10 JKGE Fc1cc(Cl)cc([C@@H](Br)c2c(Br)cc(Cl)c(Cl)c2Cl)c1 2232530223 PYEUKVUWYGXEPR-LLVKDONJSA-N 481.801 7.686 50 10 JKGE COc1c(C(C)C)cc(Br)cc1[C@@H](Br)c1ncsc1Br 2233161492 FMZKWIMCVMNKKK-LLVKDONJSA-N 484.051 6.284 50 10 JKGE Fc1cc(Br)c(F)c(Br)c1[C@H](Br)c1ccc(Cl)s1 2260072668 BQRQIANMDZAWEK-SECBINFHSA-N 481.381 6.689 50 10 JKGE Fc1cc(Br)c(F)c(Br)c1[C@H](Br)[C@@]12CC[C@@H](CO1)C2 2272729958 ARNUHYABLUIIOT-GBRJYTSESA-N 460.938 5.495 50 10 JKGE CC1([C@@H](Br)c2c(F)cc(Br)c(F)c2Br)CCCCC1 2272742282 XSEUDMSYHLKYQG-ZDUSSCGKSA-N 460.982 6.896 50 10 JKGE CCCc1ccc([C@@H](Br)Cc2cc(Br)cc(Br)c2)s1 2277887378 DEFGROWYRHNCBW-AWEZNQCLSA-N 467.064 6.904 50 10 JKGE COc1ccc([C@H](Br)c2ccc(F)cc2Br)c(Br)c1Cl 2283563943 PRRCSAUPVIDAHJ-GFCCVEGCSA-N 487.388 6.497 50 10 JKGE COc1ccc([C@H](Br)c2ccc(Cl)c(I)c2)c(C)c1C 2284523840 RDVOCUYCSOEVJF-MRXNPFEDSA-N 465.556 6.054 50 10 JKGE C[C@H](c1ccccc1)[C@@H](Br)c1c(F)cc(Br)c(F)c1Br 2288364131 RKCBLPHTFLMWQO-AMIZOPFISA-N 468.961 6.730 50 10 JKGE Fc1cc(Br)c(F)c(Br)c1[C@@H](Br)C1(CC2CCC2)CC1 2288485664 YDRZEGLBNTUMGU-CQSZACIVSA-N 472.993 6.896 50 10 JKGE Brc1cc(Br)cc(C[C@@H](Br)c2scc3c2CCCC3)c1 2295329419 IFPIPLRXZXNVQP-OAHLLOKOSA-N 479.075 6.831 50 10 JKGE COc1ccc([C@H](Cl)c2cc3sc(Br)cc3s2)c(Br)c1 2295503001 FZXLUNKBTOIIKV-AWEZNQCLSA-N 452.620 6.825 50 10 JKGE N#CC(C(=O)Nc1cc(Cl)ccc1Cl)=C1S[C@H](Cc2ccccc2)C(=O)N1c1ccccc1 2296500543 XBMQIUXEBAQTLC-JOCHJYFZSA-N 494.403 6.058 50 10 JKGE CCOc1ccc(-c2nn(-c3ccccc3)cc2C=C(C#N)C(=O)Nc2ccc(C)cc2)cc1C 2296729415 IGMRZQJANHDNSO-UHFFFAOYSA-N 462.553 6.101 50 10 JKGE CCOC(=O)c1c(NC(=O)C(C#N)=Cc2cn(CCC#N)c3ccccc23)sc2c1CC[C@@H](C)C2 2296819024 LQBRVHKIPCXOEJ-QGZVFWFLSA-N 486.597 5.464 50 10 JKGE N#CC(=Cc1ccc(Sc2ccc(Br)cc2)o1)c1nc(O)c2ccccc2n1 2297455568 MDVXSOPRGHADHU-UHFFFAOYSA-N 450.317 5.906 50 10 JKGE CO[C@@H]1CC[C@@H]1C[C@H](Br)c1ccc(OCc2ccccc2)cc1Br 2299499391 XRSNYCGKRQLXJH-MOXGXCLJSA-N 454.202 6.279 50 10 JKGE Cc1c(Br)ccc([C@H](Cl)c2cnsc2Br)c1Br 2300305011 RUOXPPHIRXMUDY-JTQLQIEISA-N 460.416 6.067 50 10 JKGE CCOC(O)=C(C#N)[C@H](c1ccccc1)[C@@H](C(=O)Nc1ccc(Br)cc1)[n+]1ccccc1 2313501715 RJVXZOZSUZGBPQ-GOTSBHOMSA-O 493.381 5.030 50 10 JKGE C=CCc1cc(C=C(C#N)C(=O)Nc2ccc(C)cc2)cc(OCC)c1OCc1cccc(C)c1 2313568405 RUZWDNBRJKDBKR-UHFFFAOYSA-N 466.581 6.555 50 10 JKGE Cc1ccc(NC(=O)C(C#N)=Cc2cc(C)n(-c3ccc(C45CC6CC(CC(C6)C4)C5)cc3)c2C)cc1 2313568452 SPTOXLDMFFVSDL-UHFFFAOYSA-N 489.663 7.416 50 10 JKGE Cc1cccn2c(=O)c(C=C(C#N)c3nc4ccccc4[nH]3)c(Oc3ccc(Cl)cc3)nc12 2314436806 HRRMSKQFOKZOJQ-UHFFFAOYSA-N 453.889 5.389 50 10 JKGE Brc1cc(OCc2ccccc2)ccc1[C@@H](Br)CC12CCC(CC1)C2 2314439167 FMZFHKZJQWACGI-QJVIICBYSA-N 464.241 7.435 50 10 JKGE COc1ccc(N2C(=O)[C@H](Cc3ccccc3C)SC2=C(C#N)C(=O)Nc2ccccc2C)cc1 2314591742 CPIFWJZMCSPANM-VWLOTQADSA-N 483.593 5.377 50 10 JKGE Cc1ccc(N2C(=O)[C@@H](Cc3ccccc3F)SC2=C(C#N)C(=O)NCc2ccccc2)cc1C 2314592841 CTBOCPJGYIJABN-RUZDIDTESA-N 485.584 5.185 50 10 JKGE CC1=C(C#N)C(=O)N(CCCOC(C)C)C(=O)C1=Cc1ccc(-c2ccc(Br)cc2)o1 2314618381 MMVPXTMSGGNXRI-UHFFFAOYSA-N 483.362 5.116 50 10 JKGE COc1cc(C=C(C#N)C(=O)NCc2ccco2)ccc1OC(=O)c1ccc(C(C)(C)C)cc1 2314740610 LDIGYCQBVXGLTB-UHFFFAOYSA-N 458.514 5.028 50 10 JKGE CSc1ccccc1C(=O)NN=Cc1c(C(C)C)nc2c(Cl)cc(C(F)(F)F)cn12 2321222506 MRKNFABLMKXQPW-UHFFFAOYSA-N 454.905 5.616 50 10 JKGE N#CC(=Cc1ccc(Cl)cc1)C(=O)Nc1c(Br)cc(C#N)cc1Br 2329652769 GRXTZEPTBQPXHA-UHFFFAOYSA-N 465.532 5.282 50 10 JKGE N#CC(=C(O)c1ccccc1Br)c1nc(-c2ccc(Cl)c(Cl)c2)cs1 2331311564 WTIPCOPGLGHJRZ-UHFFFAOYSA-N 452.160 6.829 50 10 JKGE Cc1ccc(C)c(-c2csc(C(C#N)=C(O)c3ccc4c(c3)C(=O)N(Cc3ccco3)C4=O)n2)c1 2331319917 BBZALGVGKUXLBR-UHFFFAOYSA-N 481.533 5.766 50 10 JKGE CC(C)(C)c1ccc(-c2csc(C(C#N)=C(O)c3ccc(NS(C)(=O)=O)cc3)n2)cc1 2331331653 ZQSPRFPXCZJKFP-UHFFFAOYSA-N 453.589 5.429 50 10 JKGE COc1cc(Cl)c(C)cc1-c1csc(C(C#N)=C(O)c2cc3ccccc3oc2=O)n1 2331390326 XZPOVWOARSYXLT-UHFFFAOYSA-N 450.903 5.837 50 10 JKGE CCCCOc1ccc(C(O)=C(C#N)c2nc(-c3cc(Cl)cc(C)c3OC)cs2)cc1OCC 2331392291 NOFCNJOZLYGLQX-UHFFFAOYSA-N 499.032 7.308 50 10 JKGE Cc1cc(C)c(-c2csc(C(C#N)=C(O)c3ccc4c(c3)C(=O)N(C(C)C)C4=O)n2)c(C)c1 2331393083 NOKBPGDFNDNDNO-UHFFFAOYSA-N 457.555 5.690 50 10 JKGE C[C@@H](C(O)=C(C#N)c1nc(-c2cc(Cl)ccc2Cl)cs1)N1C(=O)c2ccccc2C1=O 2331404037 TXKGGIZNBLNQEB-NSHDSACASA-N 470.337 5.594 50 10 JKGE Cc1cc(Br)c([C@@H](Cl)c2c(Br)nc(C)n2C)cc1Br 2337280626 HMQIUQGXVRMLFD-LLVKDONJSA-N 471.418 5.653 50 10 JKGE Cc1cc(Br)c(F)c(Br)c1[C@H](Cl)c1c(Br)cnn1C 2339652625 BAIFTDOZSDCLTI-JTQLQIEISA-N 475.381 5.483 50 10 JKGE Fc1ccccc1[C@@H](CBr)Cc1ccc(I)c(Br)c1 2349840005 BVKDABCEBSRABH-LLVKDONJSA-N 497.971 5.914 50 10 JKGE Fc1cc([C@H](Cl)c2ccc(OCc3ccccc3)cc2Br)c(Cl)cc1Cl 2351639341 BTCGYNHLSCWVGW-HXUWFJFHSA-N 474.584 7.802 50 10 JKGE CCc1cc(Br)c(OC)c([C@H](Br)c2cc(Br)cs2)c1 2353045118 JJSLGRPZEKBGPD-ZDUSSCGKSA-N 469.036 6.328 50 10 JKGE CC(C)(C)c1ccccc1[C@@H](Br)c1cc(Br)ccc1OCc1ccccc1 2361177354 JKKBILLGWBRBJW-HSZRJFAPSA-N 488.263 7.810 50 10 JKGE Brc1cc(OCc2ccccc2)ccc1[C@H](Br)c1ccc2c(c1)OCCO2 2361196361 XEGIRGJVEDTAFH-JOCHJYFZSA-N 490.191 6.284 50 10 JKGE CC1([C@H](Br)c2c(Cl)cc(Br)c(F)c2Br)CCCCCC1 2362227878 KJPIFAJEPQAXDP-CQSZACIVSA-N 491.464 7.801 50 10 JKGE C[C@]12C[C@H](C1)[C@H]([C@H](Br)c1c(Cl)cc(Br)c(F)c1Br)CO2 2362912198 XNMPVIBRGLULKE-GVSFJQIHSA-N 491.420 6.255 50 10 JKGE CC(C)(C)OC(=O)N1CCC[C@](CI)(OCc2cc(F)ccc2C(F)F)C1 2363550677 GNXAAHPTOYGFTK-LJQANCHMSA-N 499.311 5.485 50 10 JKGE CC1(C)CCC[C@]12[C@H](Br)C[C@H]2Oc1cc(Br)cc(Br)c1 2364222824 MQSLCWVNYKILKN-IIAWOOMASA-N 467.039 6.323 50 10 JKGE CCCCCc1ccc([C@@H](Br)c2c(Br)c(Br)nn2C)s1 2364227740 CZTUILMBPHFFBB-LLVKDONJSA-N 485.083 6.224 50 10 JKGE C[C@H]1COc2ccc([C@H](Br)c3ccc(Cl)cc3I)cc21 2365598612 RDHWWSMHSXPGNK-FVMDXXJSSA-N 463.540 5.925 50 10 JKGE ClC[C@@H](Cc1ccccc1Br)Cc1ccc(Cl)cc1I 2366715487 QPYVTOZQIMDNHU-NSHDSACASA-N 484.002 6.347 50 10 JKGE CC1(C)CC(CBr)(CN=[S@@](C)(=O)c2cccc(NC(=O)OC(C)(C)C)c2)C1 2371133914 QZLYNWNJROSPOE-MHZLTWQESA-N 459.450 5.692 50 10 JKGE Fc1c(Br)cc(Cl)c([C@@H](Cl)[C@H]2C[C@@H](C(F)(F)F)C2)c1Br 2380888576 BPYOJFKFGIPGCH-LYAQYDMKSA-N 458.902 6.873 50 10 JKGE CCCCOc1ccc(-c2nn(-c3ccccc3)cc2/C=C(/C#N)C(=O)NCc2ccccc2)cc1 2672323 UWDDSTWCMKPZNZ-PLRJNAJWSA-N 476.580 5.942 50 10 JKGE CCOc1ccccc1N/C(SCc1ccccc1C)=C(/C#N)C(=O)NCc1ccccc1 3052472 NCYKTZABXQILSA-SLEBQGDGSA-N 457.599 5.791 50 10 JKGE COc1cc(/C=C(/C#N)c2ccccc2OC)ccc1OC(=O)c1ccc(Cl)c(Cl)c1 31901942 CESSUABSXAMOJE-BOPFTXTBSA-N 454.309 6.294 50 10 JKGE CCCCCCOc1ccc(/C=C(/C#N)C(=O)Nc2nc3ccc(OC)cc3s2)cc1OC 33378119 PAMZOOWRYVKYKP-AQTBWJFISA-N 465.575 5.818 50 10 JKGE CCCCOc1ccc(/C=C(\C#N)C(=O)Oc2ccc(/C=C(/C#N)C(=O)OCC)cc2OCC)cc1 33378293 IRSVZCQKUXFWTA-QKHIKCBBSA-N 488.540 5.247 50 10 JKGE CCOc1cc(/C=C(/C#N)C(=O)Nc2cccc(SC)c2)ccc1OCc1ccccc1C#N 35175594 AQZSSAHOCQISCP-XKZIYDEJSA-N 469.566 5.804 50 10 JKGE O=C(N/N=C/c1ccc(-c2cccc(C(F)(F)F)c2)o1)[C@H]1COc2cc3ccccc3cc2O1 36046480 CGNGUCFRMGZOHA-GPYFUORASA-N 466.415 5.409 50 10 JKGE CC(C)c1ccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)[C@@H](C)Oc4ccc(F)cc4)ccc32)cc1 38649539 DEGFODVHYHHGPT-QUGAMOGWSA-N 472.516 5.540 50 10 JKGE N#C/C(=C\c1ccc(-c2ccc(Cl)cc2)o1)C(=O)Nc1cc(C(F)(F)F)ccc1Cl 39884845 QKHQSKSCNBCATE-UKTHLTGXSA-N 451.231 6.818 50 10 JKGE COc1ccc(NC(=O)c2oc3c(c2C)/C(=N/NC(=O)Cc2coc4cc(C)cc(C)c24)CCC3)cc1 40826984 GHONKECFKFBFNE-DFKUXCBWSA-N 499.567 5.611 50 10 JKGE O=C(CC[C@H](O)c1ccccc1)N/N=C\c1cn(Cc2cccc3ccccc23)c2ccccc12 58891311 LYDIVUUWOFCFEB-JWPDNNILSA-N 461.565 5.807 50 10 JKGE Cc1cc(/C=C(/C#N)c2nc3ccccc3n2C)c(C)n1-c1ccc(Cl)c(C(F)(F)F)c1 96663383 LVPKSBSIPBDRAR-BOPFTXTBSA-N 454.883 6.717 50 10 JKGE C=CCNC(=O)/C(C#N)=C1\S[C@H](Cc2ccc(Cl)cc2)C(=O)N1c1ccc(C(C)C)cc1 101241562 DXPVBBBFDDEGMV-CKVBZJJFSA-N 466.006 5.192 50 10 JKGE CCc1ccc(N2C(=O)[C@@H](Cc3ccccc3)S/C2=C(/C#N)C(=O)Nc2cccc(C)c2)cc1 101245360 DQQJCBDAUGGHIO-IEQIIXMPSA-N 467.594 5.622 50 10 JKGE CCOC(=O)/C(C#N)=C1/S[C@H](Cc2ccccc2Cl)C(=O)N1c1ccc(Br)cc1 102974642 GDIQDTMPRZILET-RILMWAFASA-N 491.794 5.092 50 10 JKGE COc1c(Br)cc(Cl)cc1[C@@H](Br)c1ccc(Cl)cc1Cl 109835986 HXWLALWNEQVDNI-ZDUSSCGKSA-N 459.392 6.902 50 10 JKGE FC(F)(F)COCCCC(CBr)(CBr)c1ccc(Br)cc1 118878575 FREUFMBWZWONIU-UHFFFAOYSA-N 496.987 5.836 50 10 JKGE Clc1cc(Br)ccc1C[C@H](CBr)c1ccc(Br)cc1 168955908 BAMSIWIKEUYQTC-GFCCVEGCSA-N 467.426 6.586 50 10 JKGE N#C/C(=C/c1ccc(-c2ccc([N+](=O)[O-])cc2)o1)C(=O)Nc1cc(C(F)(F)F)cc(C(F)(F)F)c1 209396283 QQQKGIKPDYTWTJ-QPEQYQDCSA-N 495.335 6.438 50 10 JKGE Cc1ccc(S(=O)(=O)O[C@H](C)CCO[Si](c2ccccc2)(c2ccccc2)C(C)(C)C)cc1 216787863 YDZVUWRSLFESID-HSZRJFAPSA-N 482.718 5.056 50 10 JKGE Cc1cc(I)ccc1NC(=O)/C(C#N)=C\Nc1c(Cl)cccc1Cl 217254272 LJYNXNHPTAGFJT-LUAWRHEFSA-N 472.113 5.365 50 10 JKGE Cc1cc(Br)c([C@H](Br)[C@H]2[C@H](C)[C@@H](C)O[C@@H]2C)cc1Br 227271697 RZSKNRZQWWPXPM-UXSNVOCTSA-N 455.028 6.016 50 10 JKGE Clc1sc([C@@H](Br)Cc2ccc(Br)cc2)cc1Br 227847446 XFTPPNDWCQFXGC-VIFPVBQESA-N 459.428 6.605 50 10 JKGE Fc1cc([C@@H](Br)c2cc(Br)ccc2Br)ccc1Cl 236220175 OHKMDRYNFDPIEC-CYBMUJFWSA-N 457.362 6.488 50 10 JKGE COc1ccc(N(C(=O)CCl)[C@H](C(=O)N[C@H]2CCCC[C@H]2C)c2ccc(Cl)cc2)c(OC)c1 252585874 LVEFNMRRDZWWRR-NKNQFRNOSA-N 493.431 5.365 50 10 JKGE C[C@@H]1C[C@H](O[C@H](CI)c2ccccc2Br)CC(C)(C)C1 253119887 HSSVUOQWGQDUEC-DVOMOZLQSA-N 451.186 6.157 50 10 JKGE C/C(C=NNC(=O)CSc1nnc(-c2ccc(C)cc2)n1-c1ccc(C)cc1)=C\c1ccccc1 254623939 MMTWBCANJADSGL-INGPAJSMSA-N 481.625 5.849 50 10 JKGE O=C(CCCCCCCCC(=O)NN=Cc1c[nH]c2ccccc12)NN=Cc1c[nH]c2ccccc12 254746770 JMYDRROZRRKQCF-UHFFFAOYSA-N 484.604 5.370 50 10 JKGE C/C(C=NNC(=O)CSc1nnc(-c2ccc(C)cc2)n1-c1ccc(C)cc1)=C\c1ccco1 254820895 JJKBSCOZJXRVDG-KXQCXIJRSA-N 471.586 5.442 50 10 JKGE BrCC(CBr)(COC1CCCCC1)c1ccc(Br)cc1 312254841 GBZSNGZZCOOSTH-UHFFFAOYSA-N 469.055 5.826 50 10 JKGE Fc1ccc(Br)cc1[C@H]1CN(Cc2ccccc2)C[C@@H]1CI 382695321 UJRXKMQRYSZGOA-YOEHRIQHSA-N 474.155 5.239 50 10 JKGE CN(c1ccc(CBr)c(Br)c1)C1CCN(Cc2ccccc2)CC1 383544118 VIPCCKYSKYRQFE-UHFFFAOYSA-N 452.234 5.445 50 10 JKGE Fc1c(Br)cccc1[C@H](Br)c1cc(Cl)c(Cl)c(Cl)c1Cl 404662472 RVJCLJOSSIXWEB-VIFPVBQESA-N 481.801 7.686 50 10 JKGE CC(C)[C@@H]1CC[C@H](Br)[C@H](Cc2cc(Cl)ccc2I)C1 405331557 GWRWBGYKERFZGJ-XUJVJEKNSA-N 455.605 6.323 50 10 JKGE Clc1ccc(C[C@H](CBr)Cc2cc(Cl)ccc2I)cc1 405492626 AGNACOSCXRCVBK-LBPRGKRZSA-N 484.002 6.394 50 10 JKGE CC(C)(C)OC(=O)NCCN1c2ccccc2NC[C@H]1c1ccc(CO[Si](C)(C)C(C)(C)C)cc1 616687227 YSBLWCHDPUZZQP-VWLOTQADSA-N 497.756 6.706 50 10 JKGE Cc1cc(Br)c([C@@H](Br)[C@@H]2CC(C)(C)OC2(C)C)cc1Br 710091704 GMSYTGVLKSLPAF-SMDDNHRTSA-N 469.055 6.550 50 10 JKGE O=C(NN=Cc1c(OCc2ccccc2)ccc2ccccc12)c1ccccc1Br 1083958887 ITLVISXHCUJLOM-UHFFFAOYSA-N 459.343 5.945 50 10 JKGE CCOc1cc(/C=C(/C#N)C(=O)Nc2cc([N+](=O)[O-])ccc2Cl)ccc1OCc1ccc(F)cc1 1084095368 BYCXCIBCEGDUBA-WQRHYEAKSA-N 495.894 5.911 50 10 JKGE COc1cccc(C=NNC(=O)CSc2nc3ccccc3s2)c1OCc1ccccc1Cl 1084153318 TYOMLHUPGKEOQG-UHFFFAOYSA-N 498.029 5.780 50 10 JKGE CCN(CC)c1ccc(C=NNC(=O)CCc2ccccc2)c(OCc2c(F)cccc2Cl)c1 1084317106 FTXZTZSAXZFSQP-UHFFFAOYSA-N 481.999 5.987 50 10 JKGE Cc1c(C(=O)Nc2cccc(Cl)c2Cl)oc2c1C(=NNC(=O)c1ccccc1)CCC2 1772744820 KFNAOMRDUYTANN-UHFFFAOYSA-N 456.329 5.618 50 10 JKGE Cc1c(C(=O)Nc2cccc(C(F)(F)F)c2)oc2c1C(=NNC(=O)c1cccs1)CCC2 1772749278 KHYYCWQHDMDSMX-UHFFFAOYSA-N 461.465 5.391 50 10 JKGE CCc1nn(Cc2cc(C)ccc2C)c2c1[C@@H](c1cccc(Br)c1)C(C#N)=C(N)O2 1865684256 OSRGTOBPTHFLCS-NRFANRHFSA-N 463.379 5.091 50 10 JKGE N#CC1=C(N)Oc2c(c(-c3ccccc3)nn2-c2cccc(Cl)c2)[C@@H]1c1ccccc1Cl 1865686296 UEOQUFHDHNIUAU-OAQYLSRUSA-N 459.336 6.064 50 10 JKGE COc1ccc(-c2nn(-c3ccc(C)cc3)c3c2[C@@H](c2ccc(C(C)C)cc2)C(C#N)=C(N)O3)cc1 1865686524 XFGDCOFLKMUMHG-SANMLTNESA-N 476.580 6.198 50 10 JKGE CCc1nn(Cc2c(F)cccc2Cl)c2c1[C@@H](c1c(OC)ccc3ccccc13)C(C#N)=C(N)O2 1865688449 SEDGUWUGAMXTCA-XMMPIXPASA-N 488.950 5.666 50 10 JKGE CCOc1cccc([C@@H]2C(C#N)=C(N)Oc3c2c(-c2ccc(OC)cc2)nn3-c2ccc(OC)cc2)c1 1865690228 MAIKRVXREATFCJ-RUZDIDTESA-N 494.551 5.173 50 10 JKGE C=CCOc1ccccc1[C@H]1C(C#N)=C(N)Oc2c1c(-c1ccccc1)nn2-c1ccc(OC)cc1 1865691215 MTXGGOQRASVGMZ-VWLOTQADSA-N 476.536 5.331 50 10 JKGE CCCCOc1ccc([C@@H]2C(C#N)=C(N)Oc3c2c(CCC)nn3-c2ccc(C)cc2)cc1OC 1865697396 RIKYRGGRBFUGSS-RUZDIDTESA-N 472.589 5.539 50 10 JKGE CCCc1nn(Cc2ccc(Cl)cc2)c2c1[C@H](c1ccc(Cl)c([N+](=O)[O-])c1)C(C#N)=C(N)O2 1865706283 SEPHSCDGXUAJMO-HXUWFJFHSA-N 484.343 5.317 50 10 JKGE COc1ccccc1[C@H]1C(C#N)=C(N)Oc2c1c(-c1ccccc1)nn2-c1ccc(Cl)cc1 1865709791 GXEZWZNLXYGPQA-QFIPXVFZSA-N 454.917 5.419 50 10 JKGE N#CSc1ccc(NC(=O)[C@@H](Cc2ccc(O)cc2)NC(=O)C[C@@H](c2ccccc2)C2CC2)cc1 1866712595 RWUSAHQUYSREKK-IZZNHLLZSA-N 485.609 5.215 50 10 JKGE CC[C@H](C(=O)N[C@@H](Cc1ccccc1)C(=O)Nc1ccc(SC#N)cc1)c1ccc(Cl)cc1 1866955352 LJKNHFVHBLQQFD-ZEQRLZLVSA-N 478.017 5.773 50 10 JKGE CCc1nc(Nc2ccc(SC#N)cc2)cc(N2CCc3ccccc3[C@@H]2CCc2ccccc2)n1 1868277954 NSFHSGXCDBLKOK-MHZLTWQESA-N 491.664 7.092 50 10 JKGE CC(C)(C)c1csc(/C(C#N)=C(\O)CCCCCCCCCCN2C(=O)c3ccccc3C2=O)n1 1872747563 ITHVISYANKBHOB-FCQUAONHSA-N 493.673 7.040 50 10 JKGE N#C/C(=C(/O)CCc1nc2ccccc2[nH]c1=O)c1nc(-c2ccc(Cl)c(Cl)c2)cs1 1872749410 PYDWYDSILURQRO-MOSHPQCFSA-N 469.353 5.779 50 10 JKGE CC(C)c1ccc(-c2csc(/C(C#N)=C(\O)CCCCCNC(=O)c3ccccc3)n2)cc1 1872751944 IMFMDPYMSFHFJJ-BZZOAKBMSA-N 459.615 6.717 50 10 JKGE COc1ccc(-c2csc(/C(C#N)=C(\O)c3c(Cl)ccc(Cl)c3Cl)n2)c(OC)c1 1872755227 DLKJHNROCPVVIX-UNOMPAQXSA-N 467.761 6.737 50 10 JKGE COc1c(C)cc(Cl)cc1-c1csc(/C(C#N)=C(\O)[C@H](C)Oc2ccc(C(C)C)cc2)n1 1872757129 RMMXVCBVEFNKPG-FRKCRFBYSA-N 469.006 7.164 50 10 JKGE COc1cccc(/C=C(\C#N)c2nc(-c3ccc(F)c(F)c3)cs2)c1OCc1cccc(C)c1 1872793071 GYJNXOBVWHCMFG-CIAFOILYSA-N 474.532 7.049 50 10 JKGE CCOc1cc(/C=C(\C#N)c2nc(-c3cc(Cl)ccc3Cl)cs2)cc(Br)c1O 1872794978 HBXROERDOTZJCN-LFYBBSHMSA-N 496.213 7.048 50 10 JKGE Cc1cc([C@H](Br)c2sc(Br)c(C)c2Br)cc(C)c1F 1922913107 UIVJURRKPQVNPJ-NSHDSACASA-N 471.027 6.822 50 10 JKGE Cc1ccc(Br)cc1[C@@H](Cl)c1sc(Br)c(C)c1Br 1922943060 UJTBKQCRGBUQDG-LLVKDONJSA-N 473.455 6.981 50 10 JKGE Cc1ccc([C@@H](Br)c2sc(Br)c(C)c2Br)c(C)c1 1922947016 XYDWEWVKWBDRCW-GFCCVEGCSA-N 453.037 6.683 50 10 JKGE COc1ccccc1[C@H](Br)c1c(Br)sc(Br)c1Cl 1923038952 LZDRVYUESPQUDG-VIFPVBQESA-N 475.427 6.419 50 10 JKGE Fc1ccc(F)c([C@H](Cl)c2c(Br)sc(Br)c2Cl)c1F 1923068364 QHWFOIIMYWIURI-ZETCQYMHSA-N 454.920 6.672 50 10 JKGE Brc1ccc(Br)c([C@H]2CCC[C@@H](CI)O2)c1 1935889470 RTFZDYFBPVZCIB-JOYOIKCWSA-N 459.947 5.257 50 10 JKGE Clc1sccc1[C@@H](Cl)c1c(Br)sc(Br)c1Br 1983218332 IGWCNIXBXVGAFU-ZCFIWIBFSA-N 485.875 7.079 50 10 JKGE Clc1c(Br)sc(Br)c1[C@@H](Br)[C@H]1[C@H]2CCCC[C@H]21 2002141082 YIUQGTYVZPJRSZ-XQXXSGGOSA-N 463.460 6.799 50 10 JKGE CCN(C[C@@](C)(CI)O[C@@H]1CCCCC1(F)F)C(=O)OC(C)(C)C 2020372047 IYPZZRMEJDTOHM-CZUORRHYSA-N 461.331 5.032 50 10 JKGE Cc1cc(Cl)c([C@H](Br)c2csc(Br)c2Br)cc1Cl 2081576822 IEIMLYMJQSQWPY-JTQLQIEISA-N 493.873 7.373 50 10 JKGE CC[C@H](C)c1ccc([C@H](Br)c2csc(Br)c2Br)cc1 2093941972 HGRMQAQVPULMEE-ZANVPECISA-N 467.064 7.271 50 10 JKGE Brc1ccc(CC[C@H](Br)CN2CCCCC2)c(Br)c1 2099487059 VDKPIJGWTSECMC-AWEZNQCLSA-N 454.044 5.394 50 10 JKGE C[C@@H]1Cc2cc(Br)cc([C@H](Br)c3cscc3OCc3ccccc3)c2O1 2100093578 NXKVQMHPLFLPOT-XCLFUZPHSA-N 494.248 6.897 50 10 JKGE Cc1cc(Br)c(C)c([C@H](Br)[C@H](C)CC(C)(C)C)c1Br 2136366594 JNYGGWOLZBRAPN-MEBBXXQBSA-N 455.072 7.337 50 10 JKGE COc1c(Cl)cc(Br)cc1[C@@H](Br)c1cnn(C)c1Br 2138249253 XABFOXKXMWVMDD-SNVBAGLBSA-N 473.390 5.091 50 10 JKGE Clc1cc(Br)cc([C@@H](Br)c2cc(Br)c3c(c2)CCO3)c1 2146627176 IUYJFNOMEUKXTN-AWEZNQCLSA-N 481.409 6.284 50 10 JKGE ClCc1cc(Br)cc(Br)c1OCc1c(Cl)cncc1Cl 2149795105 WXJFKEZJRXZWCB-UHFFFAOYSA-N 460.380 6.231 50 10 JKGE CC1(C)[C@@H](OCc2ccccc2)C[C@@H]1n1c(CCl)nc2cc(Br)c(Cl)cc21 2159863216 HFVRGWCJKJNBGQ-OALUTQOASA-N 468.222 6.747 50 10 JKGE Clc1sc(Br)c(Cl)c1[C@@H](Br)[C@H]1CC2(CCCCC2)CO1 2166266614 MRCQFOKMMFPXJO-SCZZXKLOSA-N 463.062 6.993 50 10 JKGE BrCc1cc(Br)cc(Br)c1OCC1CC(C2CCC2)C1 2176830294 HNTQZPAGVDQKBA-UHFFFAOYSA-N 467.039 6.312 50 10 JKGE CC(C)(C)OC(=O)N1CCN(CCCCCCCCCBr)C[C@@H]1CC(F)F 2177313587 ZTOLTFPSJDMXED-KRWDZBQOSA-N 455.428 5.689 50 10 JKGE O=S(=O)(c1cc(CBr)cc(F)c1F)N(CCC(F)(F)F)Cc1ccccc1 2179860271 PJWORDNQNBKGJG-UHFFFAOYSA-N 472.273 5.003 50 10 JKGE CC(C)C(CCO[C@H](CI)c1cccc(Br)c1)C(C)C 2189254693 ZWEOTOLAUVKXDS-QGZVFWFLSA-N 453.202 6.260 50 10 JKGE Cc1c(Br)ccc([C@H](Br)c2cc(F)c(F)c(F)c2)c1Br 2203686597 PDOBSICEXLMXSI-CYBMUJFWSA-N 472.924 6.422 50 10 JKGE COc1c(C)cc(Br)cc1[C@H](Br)c1ccc(F)cc1Br 2206570760 ROSQYUZFEAAIQY-CQSZACIVSA-N 466.970 6.152 50 10 JKGE COc1ccc(Br)c(CCl)c1OC[C@H]1CC1(Br)Br 2220448740 IULDVZYHUAJXRM-SSDOTTSWSA-N 463.391 5.081 50 10 JKGE Clc1cc(Br)ccc1C[C@@H](Br)c1cccc(Br)c1 2221696488 AQJNBVSKBQCQGP-CYBMUJFWSA-N 453.399 6.544 50 10 JKGE Fc1cc(Br)c(Br)cc1[C@H](Br)C1CC[C@H]2C[C@@H]2CC1 2225615287 FVYJAMARNBNANT-AMJWSMQMSA-N 455.003 6.613 50 10 JKGE Fc1cc(Br)c(Br)cc1[C@@H](Br)c1c(F)cccc1F 2225618185 VEIHUNAQJBVTBP-CYBMUJFWSA-N 458.897 6.113 50 10 JKGE Cc1cc(Br)c([C@H](Br)[C@@H]2C[C@@H]2C2CCC2)c(C)c1Br 2227359480 IMSOZHURAJLVMP-XHBSWPGZSA-N 451.040 6.701 50 10 JKGE Cc1csc([C@@H](Br)c2ccc3c(c2Br)CCO3)c1Br 2229734835 WSIYHEDXUOGCBB-ZDUSSCGKSA-N 467.020 6.001 50 10 JKGE Cc1cc(Br)c([C@H](Br)c2cc(Br)cc3c2O[C@H](C)C3)s1 2237632910 DWYTYXKCYKXBEX-FUXBKTLASA-N 481.047 6.389 50 10 JKGE Cc1sc(Br)cc1[C@H](Br)c1cc2sc(Br)cc2s1 2263632003 JOFFQZPBKNTJRV-LBPRGKRZSA-N 487.101 7.342 50 10 JKGE COc1ccc([C@H](Br)c2ccc(Cl)c(I)c2)c(Cl)c1 2268279905 NFIPDZGNHPZYDU-CQSZACIVSA-N 471.947 6.091 50 10 JKGE Brc1cc(Br)cc(C[C@H](Br)[C@@H]2C[C@H]3CCCC[C@@H]32)c1 2277962189 DIORUDNZSOGYKE-CAPXZKIUSA-N 451.040 6.344 50 10 JKGE COc1ccc([C@@H](Cl)c2ccc(I)c(Br)c2)c(C)c1C 2284600766 WPMYSCLKKFADCC-INIZCTEOSA-N 465.556 6.007 50 10 JKGE Cc1ccc([C@H](Br)c2c(F)cc(Br)c(F)c2Br)cc1Cl 2288375841 HUXVZBXSXCWYSG-LBPRGKRZSA-N 489.379 6.936 50 10 JKGE COc1cc(C=C(C#N)C(=O)Nc2ncc(Cc3cccc(Cl)c3Cl)s2)ccc1O 2293038705 VNPZHGGARILROJ-UHFFFAOYSA-N 460.342 5.301 50 10 JKGE CC1CCN(c2cc(C=C(C#N)c3nn(-c4ccccc4)c(N)c3C#N)c3ccccc3n2)CC1 2294284732 OLMVGSHAUMCRDH-UHFFFAOYSA-N 459.557 5.175 50 10 JKGE COc1cc(C=C(C#N)c2nc(-c3ccc(Cl)cc3)cs2)ccc1OCC(=O)c1ccccc1 2296790220 XKLBOUXEVLBCNI-UHFFFAOYSA-N 486.980 6.798 50 10 JKGE CCOc1cc(C=C(C#N)C(=O)Nc2ccc([N+](=O)[O-])cc2)ccc1OC(=O)c1ccc(C)cc1 2297491186 QDDNXDRFKXFJJT-UHFFFAOYSA-N 471.469 5.067 50 10 JKGE CCCOc1ccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)C=Cc4ccccc4)ccc32)cc1OC 2297679814 LECBGRUUYNGLGZ-MUUNZHRXSA-N 482.536 5.321 50 10 JKGE Fc1cc(Br)ccc1[C@@H](Cl)c1sc(Cl)cc1I 2301086776 REJRXCVKYMAQKV-SNVBAGLBSA-N 465.940 6.236 50 10 JKGE N#CC(=Cc1ccc(OCc2ccccc2Cl)c(Br)c1)C(=O)Nc1ccc(F)cc1 2313540876 ZGKDZCNNOVNNJE-UHFFFAOYSA-N 485.740 6.366 50 10 JKGE C=CCc1cc(C=C(C#N)C(=O)Nc2ccc(C)cc2)ccc1OCc1ccc2ccccc2c1 2313568261 QSSOCPXSMGAVFX-UHFFFAOYSA-N 458.561 7.001 50 10 JKGE COc1c(Cl)cc(C=C(C#N)C(=O)Nc2cccc(Cl)c2Cl)cc1Br 2313571555 YWBXTLLVILOOSU-UHFFFAOYSA-N 460.542 5.964 50 10 JKGE CC(F)(F)C1([C@H](Br)c2ccc(OCc3ccccc3)cc2Br)CCC1 2314446957 WNMYJXKOAAZUFL-GOSISDBHSA-N 474.183 7.290 50 10 JKGE CCc1ccc(N2C(=O)[C@H](Cc3ccc(C)cc3)SC2=C(C#N)C(=O)Nc2ccccc2OC)cc1 2314591800 FEKGEPRJXZAHMZ-SANMLTNESA-N 497.620 5.631 50 10 JKGE O=C(Cc1ccc(Br)cc1Cl)N[C@@H](CCBr)COCc1ccccc1 2320359912 CJYMPLUYQFYPJX-KRWDZBQOSA-N 489.635 5.132 50 10 JKGE C[C@@H](c1ccncc1F)[C@@H](Br)c1cc(Br)sc1Br 2321452159 ISXLPQKIMKNZIM-UPONEAKYSA-N 457.988 6.047 50 10 JKGE COc1ccc(C=NNC(=O)c2ccc3nc(-c4ccccc4Cl)[nH]c3c2)c(Cl)c1O 2323744349 VIPXBNUMYHYXSJ-UHFFFAOYSA-N 455.301 5.015 50 10 JKGE CC[C@@H]1CC[C@@H](Br)[C@@H](Cc2ccc(I)c(Br)c2)C1 2325174132 CTTPEYCBEKEEQO-RAIGVLPGSA-N 486.029 6.186 50 10 JKGE CC1(C)CC[C@@H](Br)[C@H](Cc2ccc(I)c(Br)c2)C1 2325188902 ILZVBDDJNLBNSD-VXGBXAGGSA-N 486.029 6.186 50 10 JKGE C[C@H]1C[C@H](CBr)CCN1Cc1ccc(I)c(Br)c1 2325203241 CCCWKXSQASJDGP-WDEREUQCSA-N 487.017 5.049 50 10 JKGE COc1cc(-c2csc(C(C#N)=C(O)C=Cc3cccc(Cl)c3)n2)c(OC)cc1Cl 2331376859 DFTXRAOKVCMZIV-UHFFFAOYSA-N 459.354 6.640 50 10 JKGE COC1([C@@H](Br)c2c(Cl)cc(Br)c(F)c2Br)CC(C)C1 2337094136 MCNCIOBYBFSHBI-BZCBFNEHSA-N 479.409 6.255 50 10 JKGE Clc1c(Br)sc(Br)c1[C@@H](Br)[C@@H]1C[C@H]2CCC[C@H]1CC2 2338742287 UXIPSLLYVJNWJD-CKEKPRIKSA-N 491.514 7.579 50 10 JKGE Brc1ccc(Br)c(CN2C[C@H]3CC(Br)C[C@@H](C3)C2)c1 2338872678 HHTRNNVCQOWTQS-GHMZBOCLSA-N 452.028 5.207 50 10 JKGE COc1c(Br)cc(C)c([C@@H](Br)C2(C)CC(F)C2)c1Br 2339656711 QKAALLPNVWVZTO-FEUBCLPYSA-N 458.991 6.103 50 10 JKGE Cc1cc(Br)c(F)c(Br)c1[C@@H](Br)[C@H]1CCC[C@@H](C)O1 2341254075 HHIHGKZNGXIFPO-UISBYWKRSA-N 458.991 6.053 50 10 JKGE Cc1ccccc1[C@H](Br)CCc1ccc(I)c(Br)c1 2349850812 GYMYHJAIPDFCRN-CQSZACIVSA-N 494.008 6.431 50 10 JKGE Brc1cc(Br)cc(C[C@H](Br)[C@H]2C[C@H]3CCC[C@H]2CC3)c1 2364129406 HYHPRSPHVYDJRU-SCTFDZSOSA-N 465.067 6.734 50 10 JKGE Cc1cc(Br)c(F)c(Br)c1[C@@H](Cl)c1cccc(Br)c1F 2365189298 SYELKAOGQLEKBN-LBPRGKRZSA-N 489.379 6.889 50 10 JKGE C[C@H](c1cccs1)N(Cc1ccccc1)c1c(CBr)c(C(F)(F)F)nn1C 2365332290 QDCXTHQHJUBMLI-CYBMUJFWSA-N 458.347 6.163 50 10 JKGE C[C@@H](Br)CN(CCC(C)(C)C)Cc1ccc(Cl)cc1I 2366726345 VIZLLOYKEUXCJB-GFCCVEGCSA-N 472.636 5.966 50 10 JKGE C[C@@H](Br)CN(C(=O)c1cc(Br)cc(Br)c1)C1CCCC1 2368863962 WRWHHUMPLRMCIF-SNVBAGLBSA-N 468.027 5.380 50 10 JKGE CC1(C)CC(CBr)(CN=[S@@](C)(=O)C[C@H](NC(=O)OC(C)(C)C)C(C)(C)C)C1 2371132543 CEZBXEYZGDDFNC-QZXCRCNTSA-N 467.514 5.225 50 10 JKGE CC(C)(C)OC(=O)NC[C@@H]1CC[S@](=O)(=NC[C@](C)(CBr)C(C)(C)C)C1(C)C 2380168660 OIGOOEPGCSQMKX-ZHDJGUKESA-N 467.514 5.225 50 10 JKGE CC(C)C[C@H](CBr)CN1CC[C@H](C(F)(F)F)C[C@H]1CNC(=O)OC(C)(C)C 2382177328 ISFMOHDBXIERPU-PMPSAXMXSA-N 459.391 5.211 50 10 JKGE Cc1ccc(N/C(SCc2cccc(Br)c2)=C(/C#N)C(=O)NCc2ccco2)cc1C 3058903 FJJSFSQFFPBAIT-ZNTNEXAZSA-N 496.430 6.056 50 10 JKGE C[C@H](Oc1ccc(Cl)cc1)C(=O)NNC(=O)c1ccc(NC(=O)c2ccc(C(C)(C)C)cc2)cc1 14007462 FLGRRXJCXUFXRU-KRWDZBQOSA-N 493.991 5.118 50 10 JKGE O=C(N/N=C1\C(=O)N(Cc2ccccc2)c2ccccc21)c1cc(-c2ccccc2)nc2ccccc12 25391020 CDUKJCFQEPYKSA-IYOYZZHUSA-N 482.543 5.583 50 10 JKGE CCSc1ccsc1[C@H]1C(C#N)=C(N)N(c2ccc(Cl)cc2[N+](=O)[O-])C2=C1C(=O)CCC2 27550417 OXWRVRMGQTXEHJ-IBGZPJMESA-N 487.006 5.726 50 10 JKGE COc1cccc(/C=C(\C#N)C(=O)Nc2ccc([N+](=O)[O-])cc2O)c1OCc1ccccc1Cl 33559915 VELOQVDWGZYCBA-GZTJUZNOSA-N 479.876 5.087 50 10 JKGE Cc1cccc(NC(=O)/C(C#N)=C2/S[C@@H](Cc3ccc(F)cc3)C(=O)N2c2ccccc2)c1 35212342 ZAPKLNBDKWUWRW-GPSDDGMOSA-N 457.530 5.199 50 10 JKGE Cc1ccccc1OCC(=O)Oc1ccc2c(c1)OC(N)=C(C#N)[C@@H]2c1ccc(C(C)C)cc1 38649427 IGQOKUAFTHHHJJ-HHHXNRCGSA-N 454.526 5.321 50 10 JKGE CC(C)c1ccc(OCC(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@@H]3c2ccc(C(C)C)cc2)cc1 38649629 ZGTOQFNAKZOHBH-GDLZYMKVSA-N 482.580 6.136 50 10 JKGE CCOc1cccc(C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@H]3c2c(Cl)cccc2Cl)c1 38679917 RKDMRGGEYBAGLX-QFIPXVFZSA-N 481.335 5.829 50 10 JKGE Cc1c(Cl)cccc1NC(=O)c1oc2c(c1C)/C(=N/NC(=O)c1ccccc1F)CCC2 40812371 ZWBFITFCRXZZRU-TURZUDJPSA-N 453.901 5.412 50 10 JKGE CCOc1ccc(NC(=O)c2oc3c(c2C)/C(=N/NC(=O)c2ccccc2Cl)CCC3)cc1 40812728 HZDMYHTWGSDIDH-VFCFBJKWSA-N 465.937 5.363 50 10 JKGE Cc1c(C(=O)Oc2ccccc2)oc2c1/C(=N/NC(=O)c1ccccc1Br)CCC2 40812937 UVWLUXPNSGZVFU-XIEYBQDHSA-N 467.319 5.040 50 10 JKGE CCCCOc1ccc(NC(=O)c2oc3c(c2C)/C(=N/NC(=O)c2cccs2)CCC3)cc1 40823707 ALBKIIRWZRZYFW-ZXVVBBHZSA-N 465.575 5.551 50 10 JKGE COc1cc(/C=C(\C#N)c2ccc(Cl)cc2)ccc1OC(=O)COc1ccc(Cl)cc1C 40876696 ZFNKVZFYUGJLKW-XDHOZWIPSA-N 468.336 6.359 50 10 JKGE Cc1ccc(OCC(=O)N/N=C/c2cn(Cc3ccccc3)c3ccccc23)c(Br)c1 40912289 KTWGZTQHKUUALH-MZJWZYIUSA-N 476.374 5.290 50 10 JKGE Cc1ccc(NC(=O)/C(C#N)=C/c2ccc(-c3ccc(Br)cc3C)o2)cc1Cl 58832796 IMYLBFJGYPDNFT-XNTDXEJSSA-N 455.739 6.525 50 10 JKGE N#C/C(=C\c1cccc(OCc2ccc(Cl)cc2Cl)c1)C(=O)Nc1cccc([N+](=O)[O-])c1 59292060 MONRYQMKTORMLM-RQZCQDPDSA-N 468.296 6.026 50 10 JKGE COc1c(Cl)cc(Cl)cc1/C=C(/C#N)c1nc(-c2cc3ccccc3oc2=O)cs1 97360009 ATZNCEYXTOKXCR-NSIKDUERSA-N 455.322 6.296 50 10 JKGE COc1ccc(/C=C(/C#N)C(=O)Nc2ccc(C34C[C@H]5C[C@@H](CC(c6ccccc6)(C5)C3)C4)cc2)cc1 103445121 HPSZZOQVGQTYCK-VQFVZCDTSA-N 488.631 7.030 50 10 JKGE O=C(COc1ccc(Cl)cc1Cl)N/N=C1/C(=O)N(Cc2ccccc2Cl)c2ccccc21 103735968 UUABNLZZAWKGDF-XAYXJRQQSA-N 488.758 5.093 50 10 JKGE Cc1ccccc1C(CBr)(CBr)Cc1ccc(Br)cc1 118877201 LKZCZFRFJKVKKN-UHFFFAOYSA-N 461.035 6.028 50 10 JKGE Clc1cc([C@H](Br)Cc2cccc(Br)c2)sc1Br 127518681 MGUUWRWFCMTULN-SECBINFHSA-N 459.428 6.605 50 10 JKGE O=C(N[C@H]1CCCCC[C@@H]1Br)c1cc(Br)ccc1Br 161235069 YQYVIZWLJJJRHE-STQMWFEESA-N 454.000 5.038 50 10 JKGE Cc1cc([C@H](Br)c2cc(Br)ccc2Br)c(F)cc1F 167753650 ZIOJPDFAQWUWEJ-CQSZACIVSA-N 454.934 6.283 50 10 JKGE CCc1cccc(CC)c1N1C(=O)c2ccc(C(=O)Nc3nc(CCl)cs3)cc2C1=O 170535205 OVJSKGXFGJGRSE-UHFFFAOYSA-N 453.951 5.060 50 10 JKGE CCCN1C(=O)C(C#N)=C(C)/C(=C/c2cn(-c3ccccc3)nc2-c2c(C)cc(C)cc2C)C1=O 214215928 PBZHETSDKUYGBA-IWIPYMOSSA-N 464.569 5.467 50 10 JKGE COc1ccc([C@@H](Br)Cc2ccc(Br)cc2)c(OC)c1Br 224858270 ANWVKVDPIPXNFE-ZDUSSCGKSA-N 479.006 5.908 50 10 JKGE CCn1nc(C)cc1COc1c(Br)cc(CBr)cc1Br 234192123 RCJVJEPHGCRBJI-UHFFFAOYSA-N 466.999 5.210 50 10 JKGE Fc1ccc(C[C@H](Br)c2cc(Cl)ccc2I)c(F)c1 236169730 RIZYFWUUNFAPNX-LBPRGKRZSA-N 457.483 5.902 50 10 JKGE CCCC[C@H](CC)CN(C(=O)CCl)[C@H](C(=O)N[C@H]1CCCC[C@@H]1C)c1ccccc1Cl 252584945 FANIMXBJLZMKOI-MWYJAUPDSA-N 469.497 6.360 50 10 JKGE CC(=NNC(=O)c1sc2cc(C)ccc2c1Cl)c1ccc(NC(=O)c2ccoc2C)cc1 252617728 KYZUNWRDGWKDIK-UHFFFAOYSA-N 465.962 6.171 50 10 JKGE Cc1ccc(N=Nc2ccc(O)c(C=NNC(=O)[C@H]3C[C@H]3c3ccc(C(C)(C)C)cc3)c2)cc1C 254594391 DGODHGMOKOFVQE-UIOOFZCWSA-N 468.601 6.976 50 10 JKGE Cc1ccc(-n2c(SCC(=O)NN=Cc3ccccc3O)nnc2-c2ccc(C(C)(C)C)cc2)cc1 254905158 HUXYIJSPJIXPME-UHFFFAOYSA-N 499.640 5.488 50 10 JKGE O=C1OC(=O)[C@H]2[C@H]1[C@H]1C[C@H]2[C@H]2[C@@H](c3ccc(-c4ccccc4)cc3)c3sc(=S)[nH]c3S[C@H]21 256026579 PHOFNUBNOBJTPG-QDWVOHSCSA-N 477.632 5.661 50 10 JKGE Cl[C@H](c1cccc(OCc2ccccc2)c1)c1cc(Br)sc1Br 309977485 SCUKMJMLTMNJHJ-QGZVFWFLSA-N 472.629 7.180 50 10 JKGE Cc1cc(Cl)cc([C@@H](Br)c2cc(I)cc3c2OCC3)c1 312336792 KARQUSHDNDSCPU-OAHLLOKOSA-N 463.540 5.672 50 10 JKGE Fc1ccc2nc(CCl)n(-c3cc(I)ccc3Br)c2c1 380227728 KULURSLOPDTTMW-UHFFFAOYSA-N 465.491 5.271 50 10 JKGE O=C(OCc1ccccc1)N1C[C@@H](CBr)[C@H](c2ccc(Br)cc2F)C1 382703166 QEHFRYUNRKJYFP-RHSMWYFYSA-N 471.164 5.335 50 10 JKGE C[C@H]1CN(Cc2ccccc2)C[C@H]1n1c(CCCl)nc2cc(F)c(Br)cc21 389875934 UHMPCWXBQPGXQF-VBKZILBWSA-N 450.783 5.412 50 10 JKGE Cc1cc([C@@H](Cl)c2cc(I)cc3c2OCC3)ccc1Br 394405451 LRCUJZOONCUYKU-OAHLLOKOSA-N 463.540 5.625 50 10 JKGE CC(C)(C)[Si](C)(C)OCCN1CCOC[C@H]1c1ccc(CO[Si](C)(C)C(C)(C)C)cc1 616640242 FPZDHLCVMCDCRE-QHCPKHFHSA-N 465.827 6.604 50 10 JKGE Brc1ccc(Br)c([C@@H](Br)c2occc2Br)c1 694964413 KSSIERGREQWPTA-SNVBAGLBSA-N 473.784 6.051 50 10 JKGE Cc1ccc([C@@H](Cl)c2cc(Br)cc(Br)c2)c(C)c1Br 719572644 GDWAQZTVNMARRD-HNNXBMFYSA-N 467.426 6.919 50 10 JKGE Cc1ccc([C@H](Cl)c2cc(Br)c(Br)s2)c(C)c1Br 719610668 VWEJGTZZFOKGDJ-LBPRGKRZSA-N 473.455 6.981 50 10 JKGE Cc1ccc(-n2c(C)c(Br)c(C=NNC(=O)[C@H](C)Sc3ccccc3)c2C)c(C)c1 725396812 HPFWUCSJIGEFPI-IBGZPJMESA-N 484.463 6.104 50 10 JKGE COc1cccc([C@@H]2Nc3ccc(C(C)=NNC(=O)c4ccncc4)cc3[C@@H]3C=CC[C@@H]32)c1OC 1084011108 AQSRSTJVCLCJRE-YZIHRLCOSA-N 468.557 5.079 50 10 JKGE C=CCc1cc(C=NNC(=O)CC[C@@H](O)c2ccc(OCC)cc2)ccc1OCc1ccc(C)cc1 1084505316 NCGHMPCDFSRUTF-MUUNZHRXSA-N 486.612 5.665 50 10 JKGE Cc1ccc(Cl)cc1-n1c(C)cc(C=NNC(=O)c2cc3cc(Br)ccc3o2)c1C 1084594244 UYNIJEZGZOATFC-UHFFFAOYSA-N 484.781 6.329 50 10 JKGE O=C(OCc1ccccc1)N1C[C@H](CBr)[C@H](c2cc3ccccc3nc2Cl)C1 1614690226 BTJYDXOFWVMZFS-PKOBYXMFSA-N 459.771 5.635 50 10 JKGE Fc1ccc(C(F)(F)F)cc1[C@@H]1CN(Cc2ccccc2)C[C@@H]1CI 1614691803 ITCSZZZFHKZJDV-WMLDXEAASA-N 463.256 5.495 50 10 JKGE Cc1c(C(=O)NCCc2ccccc2)oc2c1C(=NNC(=O)c1cccc3ccccc13)CCC2 1772748672 SIZWVDHDOMPCJK-UHFFFAOYSA-N 465.553 5.184 50 10 JKGE COc1cc(C=NNC(=O)COc2ccc(Cl)cc2Cl)ccc1OCc1ccc(C)cc1 1772754813 WPAQMKYRIMZNEN-UHFFFAOYSA-N 473.356 5.419 50 10 JKGE CCCOc1c(OC)cccc1[C@H]1C(C#N)=C(N)Oc2c1c(-c1ccccc1)nn2-c1ccccc1 1865694058 UACVOVBCFFUTCI-DEOSSOPVSA-N 478.552 5.555 50 10 JKGE CC(C)Oc1ccccc1[C@@H]1C(C#N)=C(N)Oc2c1c(C(F)(F)F)nn2-c1ccc(Cl)cc1 1865705082 LRENBYHCCRNUQN-GOSISDBHSA-N 474.870 5.550 50 10 JKGE CC(C)Oc1ccccc1[C@@H]1C(C#N)=C(N)Oc2c1c(C(F)(F)F)nn2Cc1cccc(Cl)c1 1865705151 NLZFANVOOIONNX-LJQANCHMSA-N 488.897 5.609 50 10 JKGE Cc1ccc(-c2nc(Nc3ccc(C(=O)Nc4ccc(SC#N)cc4)cc3)sc2C)cc1C 1865783412 KZFKWOUAQDQFRJ-UHFFFAOYSA-N 470.623 7.304 50 10 JKGE COc1cc(/C=C(\C#N)c2nc3ccc(C)cc3[nH]2)ccc1OCc1c(Cl)ccc(Cl)c1Cl 1872728058 MGFCQECUHWUVDI-MHWRWJLKSA-N 498.797 7.483 50 10 JKGE CCCCc1ccc(N2C[C@@H](/C(O)=C(\C#N)c3nc(-c4ccc(F)c(F)c4)cs3)CC2=O)cc1 1872751596 OSVXXQIQXBKJOE-IHCLVQKISA-N 479.552 6.277 50 10 JKGE N#C/C(=C(/O)c1cc(C(F)(F)F)cc(C(F)(F)F)c1)c1nc(-c2cccc3ccccc23)cs1 1872752213 RQFGHZLDCOEGJP-VZCXRCSSSA-N 490.428 7.951 50 10 JKGE N#C/C(=C(/O)CCCN1C(=O)c2ccccc2C1=O)c1nc(-c2cccc3ccccc23)cs1 1872752776 RQDODQJASDFXEV-GYHWCHFESA-N 465.534 5.832 50 10 JKGE CCCCCCCOc1ccc(-c2csc(/C(C#N)=C(\O)c3cc(OC)cc(OC)c3)n2)cc1 1872753265 OQRRRUWRZHSHAZ-LCUIJRPUSA-N 478.614 7.126 50 10 JKGE N#C/C(=C(/O)c1ccc2c(c1)C(=O)N(Cc1ccco1)C2=O)c1nc(-c2ccc(F)cc2)cs1 1872753453 XQNAMMUODQSRMD-XDOYNYLZSA-N 471.469 5.288 50 10 JKGE COc1cc(C)c(-c2csc(/C(C#N)=C(\O)c3cc([N+](=O)[O-])c(C)c([N+](=O)[O-])c3)n2)cc1C(C)C 1872753701 JIPAXNXHVAVPSS-NKFKGCMQSA-N 494.529 6.325 50 10 JKGE COc1ccc(-c2csc(/C(C#N)=C(\O)[C@H]3CC(=O)N([C@H](C)c4ccccc4)C3)n2)cc1Cl 1872757461 HJHJOQARDAHSFF-YPTMZGJPSA-N 479.989 5.874 50 10 JKGE CC(C)[C@@H](/C(O)=C(\C#N)c1nc(-c2ccc(Cl)s2)cs1)N1C(=O)c2ccccc2C1=O 1872758321 UYXFVOFMOVIGHY-OWBBTNHHSA-N 469.975 5.638 50 10 JKGE COc1ccc(OCCC/C(O)=C(\C#N)c2nc(-c3cc(Cl)ccc3OC)cs2)cc1 1872758758 PGAJXYLYVNGTTB-VZCXRCSSSA-N 456.951 6.133 50 10 JKGE CCCCOc1ccc(/C=C(\C#N)c2nc(-c3ccc(Br)cc3)cs2)cc1OCC 1872780965 QFMDPHCUXDZLRU-CPNJWEJPSA-N 483.431 7.214 50 10 JKGE CCCOc1ccc(-c2csc(/C(C#N)=C(\O)c3ccc(Cl)cc3)n2)cc1OCCC 1872818242 SZAGEEWPFKIMBC-NMWGTECJSA-N 454.979 6.991 50 10 JKGE COc1ccc(OC)c(-c2csc(/C(C#N)=C(O)/C=C/c3ccc(OC)c(OC)c3)n2)c1 1873920497 GVFOTBXJCMYOPY-MBHKSPPESA-N 450.516 5.351 50 10 JKGE C[C@@H](c1ccc(CNC(=O)OC(C)(C)C)cc1)[C@H](CBr)NC(=O)OC(C)(C)C 1887136333 UNNJRAYVYVSYPP-YOEHRIQHSA-N 457.409 5.103 50 10 JKGE CC1(C)CN(Cc2ccccc2)C[C@@H]1Cn1c(CCl)nc2cc(I)ccc21 1913128949 WYRFFCTVOPAWTL-QGZVFWFLSA-N 493.820 5.538 50 10 JKGE C[C@@H](CBr)N(Cc1ccccc1)c1ncc(C(F)(F)F)cc1I 1914341691 NJLVGGNJXWGMFT-NSHDSACASA-N 499.112 5.495 50 10 JKGE Cc1sc(C)c(S(=O)(=O)N(Cc2ccccc2)[C@@H](C)CCBr)c1Br 1915113518 KFKWTIQLDLNMRH-LBPRGKRZSA-N 495.302 5.492 50 10 JKGE O=C(c1ccc(Cl)c(Br)c1)N(Cc1ccccc1)[C@H](CBr)C1CC1 1915311622 GVRZMWDGMOKQAM-GOSISDBHSA-N 471.620 5.918 50 10 JKGE Cc1c(Br)sc([C@@H](Cl)c2ccc(Br)c(Cl)c2)c1Br 1922946963 XDZUHOMEGQPDRI-JTQLQIEISA-N 493.873 7.326 50 10 JKGE FC(F)(F)c1cscc1[C@H](Cl)c1c(Br)sc(Br)c1Cl 1923068761 WCADWHHOWYMIHR-LURJTMIESA-N 474.976 7.335 50 10 JKGE Clc1c(Br)sc(Br)c1[C@@H](Br)[C@@H]1C[C@H]2CC[C@H]1C2 1923071362 IJMYBYSSDMQSNN-LKHWLPBLSA-N 463.460 6.799 50 10 JKGE F[C@@H]1CC[C@@H]([C@H](Br)c2c(Br)sc(Br)c2Br)C1 1924570476 KBXNZVSHFFUZSS-XAHCXIQSSA-N 499.863 6.610 50 10 JKGE Cc1cc([C@H](Cl)c2c(Br)sc(Br)c2Br)cs1 1924604514 CSOAFVZOIJEZBW-QMMMGPOBSA-N 465.457 6.734 50 10 JKGE BrCCN(Cc1ccccc1)Cc1cccc(Br)c1Br 1929581392 ZHYOZUQHKBLJGG-UHFFFAOYSA-N 462.023 5.609 50 10 JKGE Clc1cc([C@H](Cl)Cc2ccccc2I)sc1Br 1940445107 IXKUQFWITRVCJF-MRVPVSSYSA-N 461.977 6.291 50 10 JKGE CCn1ncc(Br)c1[C@H](Br)c1sc(Cl)cc1Br 1948822344 CMGLLMBPKIXXRB-QMMMGPOBSA-N 463.420 5.627 50 10 JKGE Cc1cc(Br)c([C@H](Br)C2(Br)CCC2)cc1Br 1980141907 GNCDXDCKYRJHEV-NSHDSACASA-N 475.844 6.274 50 10 JKGE BrCc1c(Br)cccc1N1C[C@H]2CCN(Cc3ccccc3)[C@H]2C1 2015068082 NZYYWHODHXJNBP-UZLBHIALSA-N 450.218 5.055 50 10 JKGE CCc1sc(Br)cc1[C@H](Br)c1cc(F)ccc1Br 2030221430 OFSRZFBZMMVUPU-CYBMUJFWSA-N 457.000 6.459 50 10 JKGE CCc1sc(Br)cc1[C@H](Br)c1ccc(F)cc1Br 2030222567 QRKNWCDBMPPKIY-CYBMUJFWSA-N 457.000 6.459 50 10 JKGE C[C@@H](Sc1nn(-c2ccc(Cl)cc2)c(=S)s1)C(=O)C(C#N)=C1Nc2ccccc2S1 2040425916 HOOSTRWUNPNIPD-LLVKDONJSA-N 489.072 6.319 50 10 JKGE Cc1c(Cl)cc(C(=O)N(C)C[C@@H](Br)COCc2ccccc2)cc1Br 2048496059 FURKKHYAGADYGY-MRXNPFEDSA-N 489.635 5.463 50 10 JKGE C[C@H](c1cccs1)N(Cc1ccccc1)c1cc(Br)cc(F)c1CBr 2051132530 BWQXTXIMXLWDDA-CQSZACIVSA-N 483.244 7.312 50 10 JKGE COc1cc(Br)c(C)cc1[C@@H](Br)c1cc(Br)sn1 2056495341 CKHBUHRYCZWXFQ-GFCCVEGCSA-N 455.997 5.469 50 10 JKGE CC(C)(CC(F)(F)F)[C@H](Br)c1ccc(Br)cc1Br 2083318162 NGPPSIJAPVQEQK-SNVBAGLBSA-N 452.934 6.626 50 10 JKGE Cc1cc(Br)cc([C@H](Br)c2ccc(Br)cc2Br)c1 2083340959 WWUHVUOJLMBUEW-AWEZNQCLSA-N 497.850 6.767 50 10 JKGE Brc1ccc(Br)c([C@H](Br)c2ccc(CC3CC3)s2)c1 2087639090 ARMGAYMIJRCEHB-HNNXBMFYSA-N 465.048 6.710 50 10 JKGE Fc1cccc([C@H](Br)Cc2c(Cl)cccc2Cl)c1I 2104776113 LWLIHICPLAIRME-SNVBAGLBSA-N 473.938 6.416 50 10 JKGE Clc1c(Br)cccc1COc1cccc(CBr)c1Br 2110519946 HJXIPUDGFAQNMV-UHFFFAOYSA-N 469.398 6.339 50 10 JKGE Brc1cc2c(cc1[C@@H](Br)C1(Br)CCC1)OCCCO2 2111900673 OHKCRADASLVAHZ-CYBMUJFWSA-N 454.984 5.364 50 10 JKGE C[C@@]12CN(Cc3ccccc3)C[C@H]1CN(c1cc(Br)cc(F)c1CBr)C2 2114267931 QCFRXCSYBRUNPE-KKSFZXQISA-N 482.235 5.441 50 10 JKGE Cl[C@H](c1c(Br)sc(Br)c1Br)[C@@H]1C[C@H]1C1CCOCC1 2135276193 HEDPMKYLXUVIQZ-RNSXUZJQSA-N 493.486 6.378 50 10 JKGE COc1c(Cl)cc(Br)cc1[C@H](Br)c1cc(Cl)c(Cl)s1 2138251816 KYEVKZOZKZLZMY-JTQLQIEISA-N 465.421 6.964 50 10 JKGE Cc1c(Br)ccc([C@H](Br)[C@@H]2C[C@H]2C2CCCC2)c1Br 2138852221 RLJOEEQQLHUZRP-ZENOOKHLSA-N 451.040 6.782 50 10 JKGE Cc1cc([C@@H](Br)c2ccc(Br)c(C)c2Br)ccc1Cl 2138854066 RXOLSHUAHGHUFN-OAHLLOKOSA-N 467.426 6.966 50 10 JKGE Cc1c(Br)ccc([C@H](Cl)c2ccc(Br)cc2F)c1Br 2138862686 KGIABYKJBUWZDT-CQSZACIVSA-N 471.389 6.750 50 10 JKGE COc1cc(Br)c(Oc2ccnc(CBr)c2)cc1Br 2140706034 FZSPWEBBECEMJR-UHFFFAOYSA-N 451.940 5.302 50 10 JKGE Cc1cc(Br)c([C@@H](Br)C23CCC(CC2)C3(C)C)cc1Br 2150878268 PIZREUJNAFMUBK-GMQFJONSSA-N 465.067 7.172 50 10 JKGE O=C(c1scc(Br)c1Br)N1CCC[C@@H]2CC[C@H](Br)C[C@@H]21 2167020781 JJWPMSDLWAAGBX-YWVKMMECSA-N 486.067 5.441 50 10 JKGE CC1(C)[C@H](OCc2ccccc2)C[C@H]1n1c(CCl)nc2cc(Cl)c(Br)cc21 2169014731 BPAWDQMJGHTRPZ-RTBURBONSA-N 468.222 6.747 50 10 JKGE Cc1nc([C@@H](Br)c2cc(Br)c3c(c2)C[C@H](C)O3)c(Br)s1 2169493824 FEXLDVZYXDAZKT-KGFZYKRKSA-N 482.035 5.784 50 10 JKGE CC[C@H](Cl)[C@H]1CCCCN1C(=O)c1cc(I)ccc1Br 2170613121 BXLCAQYKBDSFFO-UONOGXRCSA-N 470.576 5.066 50 10 JKGE CCCC(CBr)(CCC)CN1CCN(C(=O)OC(C)(C)C)C[C@@H]1C(F)(F)F 2186686010 YNQCDUGGNLDXME-OAHLLOKOSA-N 459.391 5.452 50 10 JKGE COc1cc([C@H](Br)c2cc(C)c(Br)cc2C)ccc1Br 2192151235 LZEDNKXQRJHMTC-INIZCTEOSA-N 463.007 6.321 50 10 JKGE Cc1cc(Br)c(C)c([C@H](Br)[C@H](C)C2CCCCC2)c1Br 2201067271 JLPIXCFPXOWPSX-PIGZYNQJSA-N 467.083 7.481 50 10 JKGE Cc1cc(Br)c(C)c([C@@H](Br)c2cccc(F)c2F)c1Br 2201073015 XKPGDYPUOXUCCY-AWEZNQCLSA-N 468.961 6.591 50 10 JKGE COc1c(Br)cc(C)cc1[C@@H](Br)c1nn(C)c(Br)c1C 2203813017 PUXFSTQYSJQQGJ-LLVKDONJSA-N 466.999 5.055 50 10 JKGE COc1ccc(C(C)C)cc1[C@H](Br)c1cc(Br)c(Br)s1 2203871719 CPJTZLSZFFQPAR-AWEZNQCLSA-N 483.063 6.889 50 10 JKGE CC[C@H](C)c1ccc([C@H](Cl)c2ccc(Br)cc2I)cc1 2207274268 ZSAIHMJVHPUIFX-GTNSWQLSSA-N 463.584 6.895 50 10 JKGE CCN(C)C[C@@H](Cl)Cc1sc(Br)c(Br)c1Br 2212190287 VVOMNEZJRXGFGY-LURJTMIESA-N 454.453 5.137 50 10 JKGE C[C@@H]1CC[C@@H](c2sc(Br)c(Br)c2Br)C[C@H]1Cl 2212199323 BHBOINKMENVGMS-FSDSQADBSA-N 451.449 6.547 50 10 JKGE Cc1sc(Br)c(C)c1[C@H](Cl)c1cc(Br)sc1Br 2213636214 KQDZXWFZUBRSLK-SECBINFHSA-N 479.484 7.042 50 10 JKGE Cc1sc([C@H](Br)c2cc(Br)c(Br)s2)c(C)c1C 2215540234 XGXXNKYWQIAMFS-SNVBAGLBSA-N 459.066 6.744 50 10 JKGE Clc1cc(Br)c([C@@H](Br)c2ccsc2Cl)c(Cl)c1Cl 2217608788 RRQVMFJCRNNHAT-QMMMGPOBSA-N 469.840 7.609 50 10 JKGE Cc1sc(Br)c(C)c1[C@@H](Cl)c1cc(I)ccc1F 2218802047 AVDBOWVZCYLZSI-LBPRGKRZSA-N 459.549 6.199 50 10 JKGE BrC[C@@H](Cc1cccc(Br)c1)Cc1ncsc1Br 2219011755 XTBIDBDBXDNBLO-JTQLQIEISA-N 454.025 5.464 50 10 JKGE Cc1cc(Br)c([C@H](Br)c2ccc(C)c(Br)c2C)s1 2221844020 TUMDIDMVACRZMB-CYBMUJFWSA-N 453.037 6.683 50 10 JKGE Cc1cc(Br)c(CBr)c(N2C[C@@H]3CCC[C@H](C2)N3Cc2ccccc2)c1 2226341506 OUTXLJGVDIEPDI-KDURUIRLSA-N 478.272 5.896 50 10 JKGE COCCC1([C@@H](Br)c2c(Br)cc(C)c(Br)c2C)CC1 2227347997 LLTRKGZPUBZDRY-AWEZNQCLSA-N 455.028 6.081 50 10 JKGE CCC[C@@H](CC(C)C)[C@@H](Br)c1c(Br)cc(Cl)c(Cl)c1Cl 2232516781 MJZBDDQYSMIFHQ-TVQRCGJNSA-N 465.484 8.308 50 10 JKGE Fc1cc(Br)c(Br)cc1[C@H](Br)[C@@H]1C[C@H]2CCC[C@H](C2)C1 2233981243 FYCIBIRXPWRNOY-KALYDTEFSA-N 469.030 7.003 50 10 JKGE C[C@@](CI)(OCCCCC(F)(F)F)c1ccccc1Br 2238428677 ATACBDVVOAPEFK-ZDUSSCGKSA-N 465.091 5.849 50 10 JKGE Brc1ccc([C@@H](Br)c2ccc([C@@H]3CCOC3)s2)c(Br)c1 2240430701 BASWJJIOGHRQCH-RFAUZJTJSA-N 481.047 6.261 50 10 JKGE CC[C@@H](Br)CN(Cc1ccccc1)c1nc2ccc(Br)cc2s1 2246329365 SKFNOVGPKFYONZ-CQSZACIVSA-N 454.231 6.239 50 10 JKGE Clc1cccc([C@H](Br)c2cc(Br)c(Cl)s2)c1Br 2248091226 NJXZELZYUUDYLE-JTQLQIEISA-N 479.846 7.064 50 10 JKGE CCn1cc(Br)c([C@H](Br)c2sc(C)c(C)c2Br)n1 2253467840 LGQKRHKUAPAPTH-JTQLQIEISA-N 457.029 5.591 50 10 JKGE CCc1cc([C@@H](Br)c2cc(C)ccc2Br)sc1Br 2256052621 JCDSAOCBWQESHL-ZDUSSCGKSA-N 453.037 6.628 50 10 JKGE COc1cc(NC(=O)OCC2c3ccccc3-c3ccccc32)c(C(=O)O)cc1OC[C@H]1C[C@@H]1Cl 2256396402 XFUAKSCCWAXJDU-QRQCRPRQSA-N 493.943 5.761 50 10 JKGE COc1ccc([C@H](Br)c2ccc(Cl)c(I)c2)cc1F 2268278223 GGYMLNAWBFGUGK-AWEZNQCLSA-N 455.492 5.577 50 10 JKGE Fc1cc(Br)c(F)c(Br)c1[C@H](Br)Cc1ccccc1 2272726343 MTMRSHDWJUTNAQ-SECBINFHSA-N 454.934 6.169 50 10 JKGE Fc1cc(Br)c(F)c(Br)c1[C@@H](Cl)c1cc(Cl)sc1Cl 2272852039 CEEJIVMGTQTRQG-VIFPVBQESA-N 471.375 7.186 50 10 JKGE FC(F)C1CC(C[C@H](Br)Cc2cc(Br)cc(Br)c2)C1 2277964361 DYCDXEHVBKGBHY-RFBVYIQQSA-N 460.982 6.199 50 10 JKGE COc1c([C@H](Br)c2cc(C)c(Br)s2)cc(Br)c(C)c1C 2284526144 TXBRBIFDPRJDCE-ZDUSSCGKSA-N 483.063 6.691 50 10 JKGE CCCCOc1ccc(C=C(C#N)C(=O)Nc2ncc(Cc3cccc(Cl)c3)s2)cc1 2293038740 WXKQWSGGOGFXBR-UHFFFAOYSA-N 451.979 6.112 50 10 JKGE CCn1cc(Br)c([C@@H](Br)c2cc(Cl)cc(Br)c2OC)n1 2295283512 OQHADLJZSOGREB-NSHDSACASA-N 487.417 5.574 50 10 JKGE COc1cc(C)ccc1[C@@H](Br)Cc1cc(Br)cc(Br)c1 2295331644 LYJAROKOBFJMSQ-HNNXBMFYSA-N 463.007 6.207 50 10 JKGE N#CC(=CNc1cccc(C(F)(F)F)c1)c1nc(-c2cccc(Br)c2)cs1 2296752720 RVTSSSANYKDDDQ-UHFFFAOYSA-N 450.283 6.568 50 10 JKGE COc1cc(C=C(C#N)c2nc(-c3ccc([N+](=O)[O-])cc3)cs2)ccc1OCC(=O)c1ccccc1 2296790203 WIBKNFNZTPKQPV-UHFFFAOYSA-N 497.532 6.053 50 10 JKGE Fc1c(Br)cc(Cl)c([C@@H](Br)CC2COC2)c1Br 2300164285 ATKVAAOYDWUTHA-LURJTMIESA-N 451.355 5.477 50 10 JKGE Clc1c(Br)sc(Br)c1[C@@H](Br)C[C@H]1CCC[C@@H]2C[C@H]12 2309957920 QHOOUJRHJDCATI-HXFLIBJXSA-N 477.487 7.189 50 10 JKGE FC(F)c1cscc1[C@@H](Br)c1cc(Br)ccc1OCc1ccccc1 2314453248 UYEIDSGOGLVOPZ-SFHVURJKSA-N 488.191 7.512 50 10 JKGE CC1=C(C#N)C(=O)N(Cc2ccccc2Cl)C(=O)C1=Cc1ccc(-c2cc(Cl)ccc2Cl)o1 2314620616 STXJNCWNBPBVDP-UHFFFAOYSA-N 497.765 6.699 50 10 JKGE CCCCOc1ccc(C=C(C#N)C(=O)Nc2ccc(-c3nc4ccc(C)cc4s3)cc2)cc1 2314735428 TYPVQVJAILWSHD-UHFFFAOYSA-N 467.594 6.996 50 10 JKGE CC(C)(C)OC(=O)N1CCC[C@](CI)(OC[C@@H]2CC[C@H]2C(C)(C)C)C1 2320181870 JXQNOZXPFMKXNL-RZQQEMMASA-N 465.416 5.280 50 10 JKGE CCCCCCCCCOc1ccc(C=C(C#N)S(=O)(=O)c2ccc(Cl)cc2)cc1OC 2331030536 DOZQCQUTGRTKCG-UHFFFAOYSA-N 476.038 6.816 50 10 JKGE N#CC(=C(O)c1cccc(Br)c1)c1nc(-c2ccc(-c3ccccc3)cc2)cs1 2331231613 IMPLXGJHJINBJP-UHFFFAOYSA-N 459.368 7.189 50 10 JKGE CCc1cccc(CC)c1N1C[C@H](C(O)=C(C#N)c2nc(-c3cccc(OC)c3)cs2)CC1=O 2331246650 JBAMOAQGLPSWPE-HXUWFJFHSA-N 473.598 5.789 50 10 JKGE COc1c(Cl)ccc(Cl)c1C(O)=C(C#N)c1nc(-c2ccc(Br)cc2)cs1 2331260221 PVVBRFTZRQLDMX-UHFFFAOYSA-N 482.186 6.838 50 10 JKGE Cc1ccc(C)c(-c2csc(C(C#N)=C(O)c3ccc(N4CCOCC4)c([N+](=O)[O-])c3)n2)c1 2331320320 YMXMVDVCWAASOJ-UHFFFAOYSA-N 462.531 5.122 50 10 JKGE CCCCCCOc1ccc(C(O)=C(C#N)c2nc(-c3c(C)c(C)cc(C)c3C)cs2)cc1 2331364518 JCIKTUGAKKCWRK-UHFFFAOYSA-N 460.643 7.953 50 10 JKGE CCCCC1CCC(C(O)=C(C#N)c2nc(-c3ccc(OCC)cc3OCC)cs2)CC1 2331388992 DLEDZZLKOZTPMK-UHFFFAOYSA-N 454.636 7.397 50 10 JKGE N#CC(=C(O)CCCN1C(=O)c2ccccc2C1=O)c1nc(-c2cc(Cl)ccc2Cl)cs1 2331404102 ZKNYGSNJDWZGOQ-UHFFFAOYSA-N 484.364 5.986 50 10 JKGE COc1cccc(F)c1[C@@H](Br)c1cc(Br)ccc1OCc1ccccc1 2336046666 GEMIINUHTMRSPW-NRFANRHFSA-N 480.171 6.660 50 10 JKGE COc1c(Br)cc(C)c([C@H](Br)[C@@H]2CCC[C@@H]2C)c1Br 2339650097 BOOIOTDZGACBFI-IYYTYJHQSA-N 455.028 6.401 50 10 JKGE Cc1cc(Br)c(F)c(Br)c1[C@H](Br)[C@@H]1[C@H]2CCOC[C@H]21 2339682122 OWZUTCTULKALSY-MDSNHJATSA-N 456.975 5.378 50 10 JKGE C[C@H](c1ccncc1F)[C@H](Br)c1cc(Br)ccc1I 2344692426 MEHLKLMTUGSVKT-CLAHSXSESA-N 498.959 5.828 50 10 JKGE CC1(C)CN(Cc2ccc(I)c(Br)c2)C[C@H]1CCCl 2349853219 FPIHLAOWEAYXMW-GFCCVEGCSA-N 456.593 5.141 50 10 JKGE Cc1cc(Cl)cc([C@H](Cl)c2c(Cl)cc(Br)c(F)c2Br)c1 2362225982 WDARJCPTFUQGFG-ZDUSSCGKSA-N 461.383 7.294 50 10 JKGE COc1cc(Br)c([C@@H](Cl)c2c(Br)c(Br)nn2C)cc1C 2364051710 ROTFNGFYKFGYIV-LLVKDONJSA-N 487.417 5.353 50 10 JKGE CC[C@@H](C)c1ccc([C@@H](Br)c2c(Br)c(Br)nn2C)cc1 2364062878 DBHPFZWNBCMJHM-BXKDBHETSA-N 465.027 5.943 50 10 JKGE Cc1ccccc1C[C@H](Br)c1c(C)cc(Br)c(F)c1Br 2365177612 BONMFODGLDXIBA-LBPRGKRZSA-N 464.998 6.646 50 10 JKGE CN(Cc1c(Br)cccc1Br)C(=O)[C@@H](Br)C1CCCC1 2366157773 NOQIWTRPPNPZJA-AWEZNQCLSA-N 468.027 5.124 50 10 JKGE CN(Cc1c(Br)cccc1Br)c1cc(Br)ccc1CCl 2366184901 OMZSXSKFXKCELE-UHFFFAOYSA-N 482.441 6.349 50 10 JKGE CC1(C)CC(CBr)(CN2CCN(C(=O)OC(C)(C)C)[C@H](CC(F)(F)F)C2)C1 2371134496 VUGHWNUYUXOVIZ-CQSZACIVSA-N 457.375 5.061 50 10 JKGE Cl[C@H]1c2ccccc2CC[C@@H]1Cc1ccc(I)c(Br)c1 2377258810 XRRWIHITWHEMSF-CXAGYDPISA-N 461.568 6.139 50 10 JKGE CCCC/C(C)=N/NC(=O)CNc1c(Br)cc(Br)cc1Br 8405029 OKKNIRQJDOLVHP-DJKKODMXSA-N 484.030 5.068 50 10 JKGE COc1cccc(/C=C(\C#N)C(=O)Nc2ccc([N+](=O)[O-])cc2Cl)c1OCc1cccc(Cl)c1 12555964 GYVZRVLCCNTQBT-GZTJUZNOSA-N 498.322 6.035 50 10 JKGE CC(C)CCOc1ccc(Br)cc1C(=O)NNC(=O)[C@@H](C)Oc1ccc2ccccc2c1 14650815 ILZUJLFDXUVVIB-QGZVFWFLSA-N 499.405 5.256 50 10 JKGE C[C@@H](Oc1ccc(Cl)cc1Cl)C(=O)NNC(=O)COc1ccc(C(C)(C)C)cc1C(C)(C)C 14661691 IFYWIDGKENUPJA-OAHLLOKOSA-N 495.447 5.582 50 10 JKGE CCN(CC)S(=O)(=O)c1ccc(C(=O)Oc2cccc(/C=C(/C#N)c3cccc(Cl)c3)c2)cc1 31902477 PRQRJDBMLDYNHZ-JCMHNJIXSA-N 495.000 5.654 50 10 JKGE COc1cc(/C=N/NC(=O)CSc2nc3ccccc3[nH]2)ccc1OCc1cccc(Cl)c1 32519921 GGFUHANPLWCJIQ-LGJNPRDNSA-N 480.977 5.046 50 10 JKGE CCN(CC)CCOC(=O)c1ccc(N/C=C(/C#N)c2nc(-c3ccc([N+](=O)[O-])cc3)cs2)cc1 34387153 JBESCJBMQSJZID-SILNSSARSA-N 491.573 5.193 50 10 JKGE CCCCN1C(=O)/C(=N/NC(=O)c2cc(-c3ccccc3)nc3ccccc23)c2cc(C)ccc21 38180225 HYZXSJOULIKGNU-TVKQRKNISA-N 462.553 5.491 50 10 JKGE CCCCOc1ccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4cccc(OCC)c4)ccc32)cc1 38650850 HLODRRNFEGTQBG-MHZLTWQESA-N 484.552 5.702 50 10 JKGE CC(C)Oc1ccc(C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@H]3c2ccc(Cl)c(Cl)c2)cc1 38655890 ODWDKQMFUQXVAS-DEOSSOPVSA-N 495.362 6.218 50 10 JKGE CC(C)c1ccc(Oc2ncnc(NNC(=O)C(c3ccccc3)c3ccccc3)c2[N+](=O)[O-])cc1 40611057 IIGXLVUPSAZYCG-UHFFFAOYSA-N 483.528 5.576 50 10 JKGE COc1cc(/C=N/NC(=O)COc2cccc3ccccc23)ccc1OCc1ccccc1Cl 40911112 YKCYFNNDDIQWBA-MUFRIFMGSA-N 474.944 5.610 50 10 JKGE COc1cc(/C=C(/C#N)C(=O)Nc2cc([N+](=O)[O-])ccc2Cl)ccc1OCc1ccc(C)cc1 59266334 IITNSYNMORBFSD-ODLFYWEKSA-N 477.904 5.690 50 10 JKGE COc1cccc(CS/C(Nc2cccc(Cl)c2C)=C(/C#N)S(=O)(=O)c2ccccc2)c1 96482158 KRVOENAAJCKZIA-VHXPQNKSSA-N 485.030 6.169 50 10 JKGE Cc1cc(/C=C(/C#N)C(=O)OC[C@H]2CC2(Cl)Cl)c(C)n1-c1ccc(Br)cc1 96809722 YVDPGYDREIOANH-MVMZHWFQSA-N 468.178 5.501 50 10 JKGE CCCCCCCCCCCCCC(=O)NNC(=O)c1ccccc1OCc1ccccc1 100443148 UDFNBOMXADZUOE-UHFFFAOYSA-N 452.639 6.728 50 10 JKGE CCCCCN1C(=O)C(C#N)=C(C)/C(=C\c2cn(-c3ccccc3)nc2-c2ccc(OC)c(C)c2)C1=O 101333267 CSQZVUYSBUUUCF-KOEQRZSOSA-N 494.595 5.639 50 10 JKGE CCOc1ccc(Br)cc1[C@@H](Br)c1cc(F)ccc1Br 109871659 XVUXRCDILZKHMT-HNNXBMFYSA-N 466.970 6.234 50 10 JKGE COc1cc(Br)ccc1[C@@H](Br)c1cc(Br)c(C)cc1OC 160785605 DNMPFZZLGXJFRB-MRXNPFEDSA-N 479.006 6.022 50 10 JKGE Brc1ccc(Br)c([C@H](Br)c2ccc3c(c2)OCCCO3)c1 161078885 PSCQEFKHQKURPR-MRXNPFEDSA-N 476.990 5.857 50 10 JKGE O=C(NCc1ccc(Oc2cccc([N+](=O)[O-])c2)c(F)c1)c1cnccc1O[C@@H](Cl)C1CC1 211947157 FQEXEWRAMWVRRQ-JOCHJYFZSA-N 471.872 5.205 50 10 JKGE N#C/C(=C/Nc1ccc(Cl)cc1)C(=O)N1CCN(C(c2ccccc2)c2ccccc2)CC1 216494139 LUNLSDCARMJXQH-ATJXCDBQSA-N 456.977 5.093 50 10 JKGE CCOc1ccc([C@@H](Br)c2cccc(I)c2)cc1Br 228995616 FESONJOFUCZGBX-HNNXBMFYSA-N 495.980 5.937 50 10 JKGE O=C(NC[C@@H]1CCCC[C@H]1CBr)c1ccc(Br)cc1Br 232477036 JWZBYBKQDHHUKN-QWRGUYRKSA-N 468.027 5.143 50 10 JKGE CCc1ccc([C@H](Br)c2cc(Br)sc2Br)cc1CC 234184770 AJXBSSJNAGYXPT-AWEZNQCLSA-N 467.064 6.882 50 10 JKGE COc1cc(C)c(Br)cc1[C@H](Br)c1cc(Cl)ccc1Br 234805250 XSGFKKUNUDFAEG-OAHLLOKOSA-N 483.425 6.666 50 10 JKGE O=C(NN=Cc1c2ccccc2cc2ccccc12)c1ccc(CN2CCc3ccccc3C2)cc1 254486258 YYDINKNWXAFEJY-UHFFFAOYSA-N 469.588 6.315 50 10 JKGE COc1cccc(COc2ccccc2C=NNC(=O)COc2ccc(OCc3ccccc3)cc2)c1 254492668 HSYHLBCGUKKFHV-UHFFFAOYSA-N 496.563 5.382 50 10 JKGE CCCCCCCCOc1ccc(-c2cc(C(=O)NN=Cc3ccc(OCC)cc3)[nH]n2)cc1 254557627 KUJLBOCQAYGFHP-UHFFFAOYSA-N 462.594 5.979 50 10 JKGE C[C@@H](Br)C[C@@H]1CCCN1C(=O)c1cc(Br)c(Br)s1 310658881 CSRFABIWWMTVAK-SFYZADRCSA-N 460.029 5.051 50 10 JKGE Cc1cc(C(=O)[C@@H](C)Cl)c(C)n1-c1ccc(I)c(Br)c1 312565940 KXUOHVJTMLGYAI-SECBINFHSA-N 466.544 5.271 50 10 JKGE CC(C)(C)c1nc(-c2cc(I)ccc2Br)oc1CCl 401217167 RQLYTRJKGSZDSU-UHFFFAOYSA-N 454.533 5.745 50 10 JKGE CC(C)[C@@H]1CC[C@@H](Br)[C@H](Cc2cc(Cl)ccc2I)C1 405331554 GWRWBGYKERFZGJ-TYNCELHUSA-N 455.605 6.323 50 10 JKGE COC(=O)C[C@@H](N[S@](=O)C(C)(C)C)c1ccc(O[Si](C(C)C)(C(C)C)C(C)C)cc1 504245530 XRVCQPWZEHUSMR-ONOMSOESSA-N 455.737 5.897 50 10 JKGE CC(C)(C)OC(=O)NCCN1CCO[C@H](c2ccccc2CCO[Si](C)(C)C(C)(C)C)C1 616647220 DWFPJYDMGVRANC-QFIPXVFZSA-N 464.723 5.149 50 10 JKGE COCc1cc(Br)c([C@@H](Br)c2cccc(Br)c2C)s1 688147688 SEVREIDYNOBVGA-ZDUSSCGKSA-N 469.036 6.212 50 10 JKGE Cc1sc([C@@H](Br)Cc2ccc(Br)cc2F)cc1Br 692782923 ROPPXBIAZBBWTK-NSHDSACASA-N 457.000 6.399 50 10 JKGE FC(F)(F)c1cc(Cl)ccc1[C@@H](Cl)c1cc(Br)sc1Br 712620162 NGGGNLFKKQAIJM-SNVBAGLBSA-N 468.947 7.274 50 10 JKGE Cc1ccc([C@H](Cl)c2scc(Br)c2Br)c(C)c1Br 719632664 ITDCUHUWPHVYAL-LBPRGKRZSA-N 473.455 6.981 50 10 JKGE COc1ccc(-c2nn(Cc3ccc(F)cc3)c3c2[C@@H](c2ccccc2F)C(C#N)=C(N)O3)cc1 1865683561 MNCLPWVFEWHPJR-QHCPKHFHSA-N 470.479 5.103 50 10 JKGE Cc1ccc(O)c([C@@H]2C(C#N)=C(N)Oc3c2c(-c2ccccc2)nn3Cc2c(F)cccc2Cl)c1 1865687308 OFVATNPGTKKUSO-HSZRJFAPSA-N 486.934 5.623 50 10 JKGE CCc1nn(Cc2ccc(C)cc2)c2c1[C@@H](c1ccc(OCc3ccc(C)cc3)cc1)C(C#N)=C(N)O2 1865693439 OMUDPRZGVCCSGZ-NDEPHWFRSA-N 490.607 5.908 50 10 JKGE Cc1ccc(Cn2nc(C)c3c2OC(N)=C(C#N)[C@H]3c2ccc(OCc3ccccc3C)cc2)cc1 1865703402 VEUMVPZKLRACSI-MUUNZHRXSA-N 476.580 5.654 50 10 JKGE CCCOc1ccccc1[C@H]1C(C#N)=C(N)Oc2c1c(C)nn2Cc1ccc(Cl)c(Cl)c1 1865704367 UJSBXEGAHYCORA-QFIPXVFZSA-N 469.372 5.554 50 10 JKGE Cc1ccc(OCC(=O)NNC(=O)c2ccc(-c3ccc(Cl)cc3)nc2C)c(C(C)(C)C)c1 1865755563 FLAOPVYKHIBVEP-UHFFFAOYSA-N 465.981 5.156 50 10 JKGE COc1cccc(-c2csc(/C(C#N)=C(\O)c3ccc4c(c3)C(=O)N(C3CCCCC3)C4=O)n2)c1 1872744512 VYPHEHYNXCLJCY-GYHWCHFESA-N 485.565 5.697 50 10 JKGE COc1ccc(/C=C(C(/O)=C(\C#N)c2nc(-c3ccccc3OC)cs2)\c2ccccc2)cc1OC 1872747218 SNOUBIFXIOUXMZ-IIYQNJPQSA-N 496.588 6.869 50 10 JKGE COc1cc(/C(O)=C(\C#N)c2nc(-c3cccc(Br)c3)cs2)c([N+](=O)[O-])cc1OC 1872747275 VVCFLDAIEAKLKK-RGEXLXHISA-N 488.319 5.448 50 10 JKGE N#C/C(=C(/O)CCCCCNC(=O)c1ccccc1)c1nc(-c2cccc(Cl)c2)cs1 1872748384 VKULECOHNXNZAE-XDOYNYLZSA-N 451.979 6.247 50 10 JKGE Cc1ccc(-c2csc(/C(C#N)=C(\O)CCCOc3cc(C)c(Cl)c(C)c3)n2)c(C)c1 1872748701 JMTAXJZLCUXCRJ-LNVKXUELSA-N 453.007 7.349 50 10 JKGE COc1ccc(C(C)(C)C)cc1-c1csc(/C(C#N)=C(\O)CCCOc2ccc(C)cc2)n1 1872751796 UCDMCEZOEYAVGB-GYHWCHFESA-N 462.615 7.077 50 10 JKGE COc1c(Cl)cc(Cl)cc1-c1csc(/C(C#N)=C(\O)[C@@H](C)Oc2ccc(C(C)C)cc2)n1 1872754296 LTLSSRMFFBYCQM-CINSFREOSA-N 489.424 7.509 50 10 JKGE CCOc1ccc(/C=C/C(O)=C(\C#N)c2nc(-c3cc(OC)c(Cl)cc3OC)cs2)cc1OC 1872754611 AKNTVIUTTNHGGS-AHUVHIBXSA-N 498.988 6.394 50 10 JKGE COc1c(Cl)cc(Cl)cc1-c1csc(/C(C#N)=C/c2cccc(OCc3ccccc3)c2)n1 1872792784 QMTGRRFZPWHYLJ-VXLYETTFSA-N 493.415 7.769 50 10 JKGE COc1cc(C)c(-c2csc(/C(C#N)=C/c3cccc(OCc4ccccc4)c3)n2)cc1C 1872795168 RCKBCTBVDCLHLD-OEAKJJBVSA-N 452.579 7.079 50 10 JKGE Brc1cc(Br)c([C@H](Br)[C@@H]2C[C@H]2Br)s1 1877355705 FSNKESFTWBPDOR-XAQAVTJOSA-N 453.819 5.493 50 10 JKGE CC[C@H](Cl)CN(Cc1ccccc1)S(=O)(=O)c1c(Cl)cc(Br)cc1Cl 1915106655 SKLFVIFSIBSFDD-AWEZNQCLSA-N 485.658 5.964 50 10 JKGE Cc1cc(Br)c(C(=O)N(Cc2ccccc2)[C@@H](CBr)C(C)C)cc1Cl 1915321319 CJSQYIRHDCQYOR-IBGZPJMESA-N 487.663 6.473 50 10 JKGE Clc1cc(Br)cc([C@H](Br)Cc2ccncc2Br)c1 1924053039 QHFHAOPQKGZFAV-GFCCVEGCSA-N 454.387 5.939 50 10 JKGE CC(C)C[C@@H](C(C)C)[C@H](Cl)c1c(Br)sc(Br)c1Br 1924615622 DPHGCLLXBFJPPR-KWQFWETISA-N 481.519 7.634 50 10 JKGE Clc1sc(Br)c(Cl)c1[C@H](Cl)c1ccccc1I 1925568890 NLNHAJSFZLGULN-MRVPVSSYSA-N 482.395 6.750 50 10 JKGE Clc1cnccc1C[C@H](Br)c1csc(Br)c1Br 1945186651 JRQCNAGGTXNQFP-QMMMGPOBSA-N 460.416 6.000 50 10 JKGE C[C@]1(CCOCc2ccccc2)CCN1c1cc(Br)ccc1CBr 2020890141 DWBIXPIHNUKYSZ-HXUWFJFHSA-N 453.218 5.920 50 10 JKGE Cc1cc(Cl)c(Br)cc1[C@@H](Br)c1cscc1Br 2023703591 BNIUQDUQFDSBDY-GFCCVEGCSA-N 459.428 6.719 50 10 JKGE Cc1c(Br)ccc([C@H](Cl)c2ccsc2Br)c1Br 2024292888 FATRWTHBBQZSIT-NSHDSACASA-N 459.428 6.672 50 10 JKGE Cc1sc([C@@H](Cl)Cc2ccccc2I)c(C)c1Br 2027334570 VLWALKPKKAJNCZ-NSHDSACASA-N 455.586 6.255 50 10 JKGE Cl[C@H](c1cc(C2CC2)c(Br)s1)c1scc(Br)c1Br 2033627402 RRWCZTFEPGYCIR-SNVBAGLBSA-N 491.495 7.303 50 10 JKGE Cc1sc2nc(C(C#N)=Cc3cn(Cc4ccccc4)nc3-c3cccnc3)nc(O)c2c1C 2040448346 MQUCOTNZUYQURE-UHFFFAOYSA-N 464.554 5.385 50 10 JKGE CC(=O)N(c1ccccc1)c1nc(C=CC(=O)NN(c2ccccc2)c2ccccc2)cs1 2042444550 UECIPFMFGFEGON-UHFFFAOYSA-N 454.555 5.710 50 10 JKGE O=S(=O)(c1cc(Br)cc(CBr)c1F)N(Cc1ccccc1)CC1CC1 2059290574 AMYHUYJDZCNNAO-UHFFFAOYSA-N 491.220 5.084 50 10 JKGE CCc1nn(C)c([C@H](Br)c2cc(Cl)c(Br)s2)c1Br 2072302607 MMEKMDWZVZGZJK-SECBINFHSA-N 477.447 5.707 50 10 JKGE Brc1cc([C@H](Br)[C@H]2C[C@H]2C2CCOCC2)c(Br)s1 2079392734 MEPVTLLRNAPMJT-HOTUBEGUSA-N 459.041 5.772 50 10 JKGE Cc1cc(Br)c([C@H](Br)[C@@H]2CC[C@H]3C[C@H]3CC2)cc1Br 2089421418 FIOOWWUNYDBLJD-AZKPJATDSA-N 451.040 6.782 50 10 JKGE C[C@H]1Cc2cc([C@H](Br)c3sncc3Br)cc(Br)c2O1 2090457338 AXCBXJBLWCOCNS-KGFZYKRKSA-N 468.008 5.476 50 10 JKGE ClC[C@H](Cc1ccc(Br)cc1Br)c1ccc(Br)cc1 2092260108 DJNMGWHCTQMMQA-LBPRGKRZSA-N 467.426 6.539 50 10 JKGE Brc1ccc(Br)c(CN2CC3(CCC(Br)CC3)C2)c1 2124677673 XHUIYOMBNZDLEK-UHFFFAOYSA-N 452.028 5.351 50 10 JKGE C[C@@H](c1nscc1Br)N(C)c1ccc(CBr)cc1Br 2130033358 SNNLBOKTTQQGBU-QMMMGPOBSA-N 469.040 5.760 50 10 JKGE Brc1cc([C@H](Br)c2ccc(-c3cccs3)s2)c(Br)s1 2140972483 CBBDQDCZLZEZMI-LBPRGKRZSA-N 499.112 7.547 50 10 JKGE Fc1cccc([C@H](Br)c2cc(Br)c3c(c2)CCO3)c1Br 2146630810 ZXHMFOBDNVHHDE-CYBMUJFWSA-N 464.954 5.770 50 10 JKGE CC1(C)COc2c([C@H](Cl)c3cc(I)sn3)cc(Br)cc21 2176541366 YMEKQHPZDTXIBY-LBPRGKRZSA-N 484.584 5.508 50 10 JKGE Cc1cc(Br)c(C)c([C@@H](Br)[C@H]2CCCOC2(C)C)c1Br 2201071126 DKCKVYVKMNHUKG-ABAIWWIYSA-N 469.055 6.470 50 10 JKGE Cc1c(Br)csc1[C@H](Br)c1sc(Br)c(C)c1C 2213771206 OZYHZVWUPWRZHW-VIFPVBQESA-N 459.066 6.744 50 10 JKGE Cc1cc(Br)c([C@@H](Br)c2coc(Br)c2)c(C)c1Cl 2217619430 YOPDCQBJHAEBPE-LBPRGKRZSA-N 457.387 6.559 50 10 JKGE COc1cc(F)cc([C@@H](Br)c2sc(Br)cc2Br)c1 2218933455 DBZJCRKVHRMOMQ-LLVKDONJSA-N 458.972 5.905 50 10 JKGE Clc1cc(Br)c([C@@H](Br)C2CCC3(CC2)CC3)c(Cl)c1Cl 2232515949 DQSFKEKEUTUUHX-LBPRGKRZSA-N 461.452 7.816 50 10 JKGE Cc1c(Br)sc([C@H](Br)c2ccc3scnc3c2)c1Br 2278610519 DKLQUAMDMCURMG-LLVKDONJSA-N 482.060 6.676 50 10 JKGE COc1ccc([C@@H](Br)c2cc(C)cc(Br)c2)c(Br)c1Cl 2283564179 RMSJLULLOZJLTD-ZDUSSCGKSA-N 483.425 6.666 50 10 JKGE CC1(C)CCC([C@H](Br)c2c(F)cc(Br)c(F)c2Br)CC1 2288346423 YGYCVTSSKZHSGE-LBPRGKRZSA-N 475.009 7.142 50 10 JKGE CC1(C)[C@H]2CO[C@@]1([C@H](Br)c1c(F)cc(Br)c(F)c1Br)C2 2289310940 NVCICRPWMHRYPD-BHKQTNGVSA-N 474.965 5.741 50 10 JKGE COc1cc(C=C(C#N)C(=O)NCCc2c[nH]c3ccccc23)ccc1OCc1ccc(Cl)cc1 2294171920 JQDPGWLBLSPZOW-UHFFFAOYSA-N 485.971 5.675 50 10 JKGE Cc1cc(Br)c([C@H](Br)Cc2ccc(Cl)c(F)c2)cc1Br 2295289096 BZNUEYNXFIMWSW-CYBMUJFWSA-N 485.416 6.991 50 10 JKGE FC(F)(F)c1cc([C@@H](Br)c2cc3sc(Br)cc3s2)cs1 2295405128 ZEWJNABSDFYPTL-LLVKDONJSA-N 462.175 7.290 50 10 JKGE COc1cc(OC)c([C@H](Br)c2cc(Cl)sc2Cl)cc1Br 2295437463 NKDKHKUVOWUAOC-LBPRGKRZSA-N 461.002 6.319 50 10 JKGE Cc1cccc(NC(=O)C(C#N)=C2S[C@@H](Cc3ccccc3Cl)C(=O)N2c2ccccc2)c1C 2296506825 GYUCKAIWGLUKEF-DEOSSOPVSA-N 488.012 6.022 50 10 JKGE CCOC(=O)c1c(NC(=O)C(C#N)=Cc2ccc(N(CC)CC)cc2)sc2c1CCCC2 2296818076 GEGAYTLXXKKAMH-UHFFFAOYSA-N 451.592 5.195 50 10 JKGE Cc1nc([C@@H](Cl)c2cc(Br)ccc2OCc2ccccc2)c(Br)s1 2299522805 NTHLZYPIRWJWCD-INIZCTEOSA-N 487.644 6.884 50 10 JKGE N#CC(=Cc1cc(Cl)ccc1OCc1ccc(Br)cc1)C(=O)Nc1ccc(F)cc1 2313630805 UQICPZWKGIVWAO-UHFFFAOYSA-N 485.740 6.366 50 10 JKGE Cc1cccc(NC(=O)C(C#N)=Cc2cc(Cl)ccc2OCc2cccc(Cl)c2)c1C 2313667204 HKVBPFLMBIHYHH-UHFFFAOYSA-N 451.353 6.735 50 10 JKGE C[C@@H]1CC([C@H](Br)c2ccc(OCc3ccccc3)cc2Br)C[C@@H](C)O1 2314456336 WKQZBZANZOITKC-PZPWOCDFSA-N 468.229 6.668 50 10 JKGE FC(F)(F)[C@H]1CCc2c(Br)cc(OCc3ccccc3)cc2[C@@H](Br)C1 2314479902 FCEIIHQDKXAQIZ-GUYCJALGSA-N 478.146 6.979 50 10 JKGE COc1ccc(-c2nn(-c3ccccc3)cc2C=C(C#N)C(=O)Nc2cccc(C(F)(F)F)c2)cc1 2314486623 DRSSBLYTGNRABB-UHFFFAOYSA-N 488.469 6.112 50 10 JKGE COc1ccc(N2C(=O)[C@H](Cc3ccc(Cl)cc3)SC2=C(C#N)C(=O)Nc2ccccc2)cc1 2314592018 JVUVRNQYQQMKCY-QHCPKHFHSA-N 489.984 5.414 50 10 JKGE C=CCOc1ccc(-c2nn(-c3ccccc3)cc2C=C2C(=O)N(CC)C(=O)C(C#N)=C2C)c(C)c1 2314617719 WIVMBYZIEDEDBK-UHFFFAOYSA-N 478.552 5.025 50 10 JKGE COc1ccccc1-c1ccc(C(=O)NN=Cc2cccc(OCc3ccccc3)c2)c(C)n1 2321251698 GBRBWJPCCRTTLG-UHFFFAOYSA-N 451.526 5.409 50 10 JKGE CC(C)(C)OC(=O)NCCCCCC(=O)NN=Cc1ccc(OCc2ccccc2Cl)cc1 2328799980 OEIWYHLQOBDCTR-UHFFFAOYSA-N 474.001 5.454 50 10 JKGE CCCCCCCCCOc1ccc(C=NNC(=O)Cn2c(O)nc3ccccc3c2=O)cc1Cl 2328808991 RFFLIRHBSPUTLA-UHFFFAOYSA-N 499.011 5.035 50 10 JKGE CCOC(=O)c1c(NC(=O)C(C#N)=Cc2ccc(Cl)cc2)sc(C(=O)OCC(C)C)c1C 2329654254 CBWRUSXQADBXFR-UHFFFAOYSA-N 474.966 5.245 50 10 JKGE O=C(c1cc(Br)c(Br)s1)N1CC[C@H]2CC[C@@H](Br)[C@@H]1C2 2330967494 VUHJISXXFCZQGO-MRTMQBJTSA-N 472.040 5.051 50 10 JKGE COc1cc(C=C(C#N)c2ccc(Cl)cc2F)cc(Br)c1OCc1ccccc1 2331063916 PXWNNIFSDPYDJA-UHFFFAOYSA-N 472.741 6.893 50 10 JKGE N#CC(=C(O)CCCOc1ccc(Cl)cc1)c1nc(-c2ccc3c(c2)CCCC3)cs1 2331239874 NARXZWKKWPXJRQ-UHFFFAOYSA-N 450.991 6.994 50 10 JKGE CCCCOc1ccc(C(O)=C(C#N)c2nc(-c3ccc(Cl)c(Cl)c3)cs2)cc1OCC 2331311666 LIPNVFZGOAJVQX-UHFFFAOYSA-N 489.424 7.644 50 10 JKGE CC(C)C[C@@H](C(O)=C(C#N)c1nc(-c2ccc(F)cc2)cs1)N1C(=O)c2ccccc2C1=O 2331343602 FJFSZYKSKGCMJT-NRFANRHFSA-N 461.518 5.453 50 10 JKGE COc1ccc(OC)c(-c2csc(C(C#N)=Cc3cc(Br)cc(OC)c3O)n2)c1 2331450464 MKLRKMRCAREJSL-UHFFFAOYSA-N 473.348 5.368 50 10 JKGE COc1cc(C=C(C#N)c2nc(-c3cc(C)cc(C)c3OC)cs2)ccc1OCc1ccccc1 2331468732 RXMKIYZSHFXNJE-UHFFFAOYSA-N 482.605 7.087 50 10 JKGE COc1cc(Cl)ccc1[C@H](Cl)c1ccc(OCc2ccccc2)cc1Br 2336051496 SFAOGYJKATYVIX-OAQYLSRUSA-N 452.175 7.018 50 10 JKGE Fc1c(Br)cc(Cl)c([C@H](Br)[C@@H]2C[C@@]23CC3(F)F)c1Br 2337090818 RSUYJUNUMLPFAI-NGYZFDSUSA-N 483.347 6.485 50 10 JKGE Cc1cc(Br)c(F)c(Br)c1[C@H](Br)[C@H]1CCCC1(C)C 2339647340 ZTAZGIRHBJYWHC-BXKDBHETSA-N 457.019 6.921 50 10 JKGE COc1c(Br)cc(C)c([C@H](Br)[C@H]2COC[C@H]2C)c1Br 2339653234 HKBBCPDPCMBSKX-VDDIYKPWSA-N 457.000 5.247 50 10 JKGE Cc1cc([C@@H](Br)c2ccc(Cl)cc2I)c(Cl)cc1F 2340063753 MGFPQAXIOOGCHP-AWEZNQCLSA-N 473.938 6.530 50 10 JKGE BrCC(CBr)(Cc1nc(Br)cs1)C1CCCCCC1 2342921784 MANBVEBWACHGRX-UHFFFAOYSA-N 474.100 6.195 50 10 JKGE ClC[C@H](Cc1ccc(I)c(Br)c1)c1ccccc1Cl 2349851905 KWBBOFQHNFKGTO-NSHDSACASA-N 469.975 6.272 50 10 JKGE Cc1cc(Br)c(C(C)C)cc1[C@H](Br)c1ncsc1Br 2352800644 XUBYWUZPTALNEK-LBPRGKRZSA-N 468.052 6.584 50 10 JKGE O=C(c1cc(Br)sc1Br)N1CC[C@@H](Cl)C[C@H]1C(F)(F)F 2361444901 TWFMRGHTKUXAKB-VDTYLAMSSA-N 455.521 5.047 50 10 JKGE Cc1ccc(F)cc1[C@@H](Br)c1c(Cl)cc(Br)c(F)c1Br 2362229419 JUCNDESWVYMUSW-GFCCVEGCSA-N 489.379 6.936 50 10 JKGE CC(C)(COC1(CI)CCN(C(=O)OC(C)(C)C)CC1)Cc1ccccc1 2364248244 IOKUFSCPDMJQHJ-UHFFFAOYSA-N 487.422 5.477 50 10 JKGE Cc1cc(Br)c(F)c(Br)c1[C@H](Br)Cc1ccc(Cl)cc1 2365215701 MTRPLBCYCZTDAF-LLVKDONJSA-N 485.416 6.991 50 10 JKGE Clc1ccc(I)cc1CO[C@@H]1C[C@@H](Br)C12CCCCC2 2380342162 CIJCUYDFDWCTRQ-HUUCEWRRSA-N 469.588 5.948 50 10 JKGE CCc1ccc(N/C(SCc2cccc([N+](=O)[O-])c2)=C(/C#N)C(=O)NCc2ccco2)cc1 3058796 CVVVPGDDJPJHAG-ZNTNEXAZSA-N 462.531 5.147 50 10 JKGE 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)cc1 10013833 OWAPAICGDILWBG-OAQYLSRUSA-N 456.590 5.904 50 10 JKGE Cc1ccccc1C(=O)Nc1ccc(C(=O)N/N=C/c2cccc(OCc3ccccc3)c2)cc1 12578676 QQMITVKZLXZIOK-NDZAJKAJSA-N 463.537 5.590 50 10 JKGE Cc1ccc(C(=O)C/C(=C\C(=C(/C#N)c2ccc([N+](=O)[O-])cc2)c2ccc(C)cc2)c2ccccc2)cc1 33911668 MUOCNSAJVLIYMM-JBXMWWLNSA-N 498.582 8.003 50 10 JKGE Cc1cc(/C=C(/C#N)C(=O)Nc2ccccc2Br)c(C)n1-c1cc(Cl)cc(Cl)c1 34902391 BHBYVOYCTRPQGS-PXNMLYILSA-N 489.200 6.709 50 10 JKGE CCc1cccc(N2C(=O)CS[C@@H]2c2ccc(NC(=O)[C@@H](Cl)c3ccccc3)cc2)c1 35928737 CUHKRGRXCKPVNH-UKILVPOCSA-N 450.991 5.946 50 10 JKGE CC1=C(C#N)C(=O)N(C(C)C)C(=O)/C1=C/c1cn(-c2ccccc2)nc1-c1ccc(OC(C)C)cc1C 38604425 XVOJFHZFVXWDGN-CVKSISIWSA-N 494.595 5.636 50 10 JKGE COc1cccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4ccc(C(C)(C)C)cc4)ccc32)c1 38650114 RASDREPNWPSXQK-VWLOTQADSA-N 454.526 5.430 50 10 JKGE CCCCOc1ccc(C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@@H]3c2ccccc2Cl)cc1 38651033 FWQVUOSUJZESCI-RUZDIDTESA-N 474.944 5.956 50 10 JKGE Cc1ccc(OCC(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@H]3c2ccccc2Cl)cc1C 38651066 VYGQVQDMYVZPOD-VWLOTQADSA-N 460.917 5.159 50 10 JKGE CCc1ccc(O[C@H](C)C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@H]3c2cccc(Cl)c2)cc1 38651250 ZBPVKWMQBDMQCI-CPJLOUKISA-N 474.944 5.493 50 10 JKGE Cc1cc(OCC(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@@H]3c2ccccc2F)cc(C)c1Cl 38652139 VKNUCCZHJREVSC-XMMPIXPASA-N 478.907 5.299 50 10 JKGE C=CCOc1ccc(C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@H]3c2ccc(OCC)c(OC)c2)cc1 38659581 IDGCXYXCBWUEQN-MHZLTWQESA-N 498.535 5.096 50 10 JKGE N#C/C(=C\c1ccc(-c2ccc(Cl)cc2Cl)o1)C(=O)Nc1cc(C(F)(F)F)ccc1Cl 39884850 KCPVCDHMQKATEJ-YRNVUSSQSA-N 485.676 7.471 50 10 JKGE Cc1c(C(=O)N2c3ccc(F)cc3CC[C@H]2C)oc2c1/C(=N/NC(=O)c1ccccc1Cl)CCC2 40812609 SJKLWCOUOLWDFL-FQRZLYOMSA-N 493.966 5.832 50 10 JKGE CCOc1ccc(/C=C(\C#N)C(=O)Nc2ccc(Cl)cc2C(=O)c2ccccc2)cc1OC 40858396 NTGPQGVMRQEKDE-CPNJWEJPSA-N 460.917 5.524 50 10 JKGE O=C(CSc1nc(-c2ccccc2)cs1)N/N=C/c1ccccc1OCc1ccccc1 40924469 XTXHWQYEFRDJHH-CVKSISIWSA-N 459.596 5.632 50 10 JKGE O=C(CC[C@@H](O)c1ccccc1)N/N=C\c1ccccc1OCc1ccc(Cl)cc1Cl 58892358 PIBXDHANVJYLCB-RJNBOEKGSA-N 457.357 5.536 50 10 JKGE COc1ccc(/C=C(/C#N)C(=O)Nc2cc(Cl)cc(Cl)c2)cc1OCc1ccc(Cl)cc1 96401909 KCGVPHMQYDQHPI-IUXPMGMMSA-N 487.770 6.780 50 10 JKGE BrC[C@H](CCOc1cccc(Br)c1)Cc1cccc(Br)c1 97184630 FCVNTHAPSWPCHQ-CQSZACIVSA-N 477.034 6.234 50 10 JKGE COc1ccc([C@H](Br)c2cc(Br)ccc2Cl)cc1Br 109833788 AWFHHBSBBKRYOW-AWEZNQCLSA-N 469.398 6.358 50 10 JKGE Brc1cccc(C[C@@H](Br)c2ccccc2I)c1 110303595 MODKPCDYIWVYKX-CYBMUJFWSA-N 465.954 5.732 50 10 JKGE Fc1ccc([C@H](Br)c2csc(I)c2)cc1Br 118896054 QDQMPTIRQSLWIG-NSHDSACASA-N 475.946 5.739 50 10 JKGE Oc1cccc(CC(CBr)(CBr)c2ccc(Br)cc2)c1 127192676 HTZXHEBVIASORD-UHFFFAOYSA-N 463.007 5.425 50 10 JKGE COc1ccc(F)cc1[C@H](Br)c1cc(Br)c(Br)s1 128865104 XHCDUFCBUBBWIR-NSHDSACASA-N 458.972 5.905 50 10 JKGE Fc1ccc([C@H](Br)c2ccc3cc(Br)ccc3c2)cc1Br 159680428 YVVUACZVCISQLV-QGZVFWFLSA-N 472.977 6.988 50 10 JKGE CC(C)=C(/C=C\O[C@@H](C)c1ccccc1)CO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C 195752857 DULZICHRUDRDGE-BVBZGZSMSA-N 470.729 7.191 50 10 JKGE CCCCOc1cccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)/C=C\c4ccc(C)cc4)ccc32)c1 205660138 DNVIEJQQWHFTOU-GRURKUMZSA-N 480.564 6.011 50 10 JKGE CCC(C)(C)c1cc(CO)c(O)c(SSc2cc(C(C)(C)CC)cc(CO)c2O)c1 206703583 LAMSDEKSDUYMJY-UHFFFAOYSA-N 450.666 6.257 50 10 JKGE Brc1cccc(C[C@@H](Br)c2cc(Br)cc3c2OCC3)c1 228441763 GOLVFCPGTLYFSG-OAHLLOKOSA-N 460.991 5.825 50 10 JKGE Clc1cc([C@H](Br)c2ccc(Br)s2)ccc1I 232343701 QDKHTIIVRRXVLO-NSHDSACASA-N 492.401 6.253 50 10 JKGE Cc1cc(CSCC(=O)NN=Cc2cc(C(C)(C)C)c(O)c(C(C)(C)C)c2)cc(C)c1O 252612737 IVDODZROAOUTFE-UHFFFAOYSA-N 456.652 5.693 50 10 JKGE COc1ccc(-c2cc(C(=O)NN=Cc3ccc(Br)s3)c3ccccc3n2)c(OC)c1 254291761 NLSNKOBQSZWEII-UHFFFAOYSA-N 496.386 5.507 50 10 JKGE C[C@@H]1CC(=NNC(=O)c2ccc(NS(=O)(=O)c3ccc(Br)cc3)cc2)CC(C)(C)C1 254865432 BOOYDRRVDPILMU-OAHLLOKOSA-N 492.439 5.182 50 10 JKGE Cc1cc(C)c2c(N)c(C(=O)NN=Cc3cn(-c4ccccc4)nc3-c3ccccc3)sc2n1 254871126 PSPJYZCCFOWVQZ-UHFFFAOYSA-N 466.570 5.112 50 10 JKGE CC(=NNC(=O)[C@@H]1COc2ccccc2O1)c1ccc2c(c1)[C@@H]1C=CC[C@H]1[C@H](c1ccccc1)N2 254876227 MDEVGSRYRLSVOE-BIQRORRISA-N 465.553 5.193 50 10 JKGE CC(C)(C)OC(=O)N1C[C@H](c2ccc(Br)c(Cl)c2)[C@@H](CBr)C1 382687607 MDAWXGCGKQRXDJ-NWDGAFQWSA-N 453.602 5.448 50 10 JKGE BrCc1cc(Br)ccc1N1CCC2(CCN(Cc3ccccc3)CC2)C1 389017985 YINHDVGRSMNPNH-UHFFFAOYSA-N 478.272 5.837 50 10 JKGE Cc1cc(C)c([C@@H](Br)Cc2ccccc2Br)c(C)c1Br 692449887 ZNIWMUVGBMYTJI-HNNXBMFYSA-N 461.035 6.816 50 10 JKGE Cc1cc(C=NNC(=O)C(=O)Nc2ccc(Cl)c(Cl)c2)c(C)n1-c1ccccc1C(F)(F)F 725407642 RBAUEIIDLCPBJQ-UHFFFAOYSA-N 497.304 5.509 50 10 JKGE COc1ccc(/C(C#N)=C/c2cccc(OC(=O)COc3ccc(Cl)cc3Cl)c2)cc1OC 1615066401 FEARWPVZDQMZQE-VCHYOVAHSA-N 484.335 6.059 50 10 JKGE Cc1c(C(=O)Nc2cc(Cl)ccc2Oc2ccccc2)oc2c1C(=NNC(N)=O)CC(C)(C)C2 1772729312 RCNUOKPEWAWYGC-UHFFFAOYSA-N 480.952 5.631 50 10 JKGE N#CC1=C(N)Oc2c(c(C(F)(F)F)nn2Cc2ccc(F)cc2)[C@H]1c1cccc(Br)c1 1865683240 BDWXCPUZBPIKNS-INIZCTEOSA-N 493.258 5.070 50 10 JKGE N#CC1=C(N)Oc2c(c(-c3ccccc3)nn2Cc2ccc(Cl)c(Cl)c2)[C@@H]1c1cccnc1 1865700451 UEAJTLVYCMAKLD-OAQYLSRUSA-N 474.351 5.518 50 10 JKGE CCc1nn(-c2cccc3ccccc23)c2c1[C@H](c1cc(Cl)c(O)c(OC)c1)C(C#N)=C(N)O2 1865707124 OLJWNYGGEOMLBC-JOCHJYFZSA-N 472.932 5.174 50 10 JKGE CCc1ccc([C@H]2C(C#N)=C(N)Oc3c2c(-c2ccccc2)nn3Cc2ccc(Cl)cc2)cc1 1865708560 BCGZFZIETCNFRT-DEOSSOPVSA-N 466.972 6.032 50 10 JKGE N#CC1=C(N)Oc2c(c(C(F)(F)F)nn2Cc2cccc(F)c2)[C@H]1c1ccc(C(F)(F)F)cc1 1865711206 SGFBIQXFWNHIHV-INIZCTEOSA-N 482.359 5.326 50 10 JKGE CCc1nc(Nc2ccc(SC#N)cc2)cc(N2CCC[C@@H]2Cc2ccc(Cl)cc2)n1 1868278046 QOBAAYBLNBMSFQ-HXUWFJFHSA-N 450.011 6.221 50 10 JKGE COc1ccc(C(C)(C)C)cc1-c1csc(/C(C#N)=C(\O)c2cc([N+](=O)[O-])cc([N+](=O)[O-])c2C)n1 1872751302 AVSCIALYBFJUQB-PYCFMQQDSA-N 494.529 6.191 50 10 JKGE COc1ccc(C(C)(C)C)cc1-c1csc(/C(C#N)=C(\O)c2cc([N+](=O)[O-])cc([N+](=O)[O-])c2)n1 1872751595 OPVZRGPOABPPDV-UZYVYHOESA-N 480.502 5.882 50 10 JKGE COc1cc(C)c(-c2csc(/C(C#N)=C(\O)Cc3ccc(Cl)c(Cl)c3)n2)cc1C(C)C 1872751616 PWCDILDGDUDBHG-PYCFMQQDSA-N 473.425 7.593 50 10 JKGE C[C@H](c1ccccc1)N1C[C@@H](/C(O)=C(\C#N)c2nc(-c3cccc4ccccc34)cs2)CC1=O 1872752344 XZSCXKQZKDSDLG-GFSILKKMSA-N 465.578 6.366 50 10 JKGE CC[C@@H](C)N1C(=O)c2ccc(/C(O)=C(\C#N)c3nc(-c4cccc5ccccc45)cs3)cc2C1=O 1872752405 AUVQXVNZRDPARC-IEQXMEILSA-N 479.561 6.308 50 10 JKGE COc1cc(C)c(-c2csc(/C(C#N)=C(O)/C=C/c3ccc(Cl)cc3Cl)n2)cc1C(C)C 1872753601 FREFYPSSUMVTOH-RAWXFKCPSA-N 485.436 8.063 50 10 JKGE N#C/C(=C(/O)CNC(=O)c1ccc(Cl)cc1Cl)c1nc(-c2cc(Cl)ccc2Cl)cs1 1872757911 BVTOLKAPDPFCFT-JXAWBTAJSA-N 499.206 6.646 50 10 JKGE CCCCCOc1ccc(/C=C(\C#N)c2nc(-c3cc(C(C)(C)C)ccc3C)cs2)cc1OCC 1872794320 VHZGEUFPZQUDHQ-XQNSMLJCSA-N 488.697 8.448 50 10 JKGE BrC[C@@H](C1CC1)N(Cc1ccccc1)c1nccc2c(Br)cccc12 1915190731 YAVSZFLYWOEZRY-FQEVSTJZSA-N 460.213 6.177 50 10 JKGE CC(C)[C@@H](CCl)N(Cc1ccccc1)S(=O)(=O)c1c(Cl)cc(Br)cc1Cl 1915272392 XKGLCKDUZGSFHR-QGZVFWFLSA-N 499.685 6.210 50 10 JKGE Fc1cc(Br)ccc1C[C@@H](Cl)c1sc(Br)cc1Br 1922898544 WGPQCVCGOWVPBR-SECBINFHSA-N 477.418 6.697 50 10 JKGE Cc1c(Br)sc([C@@H](Br)[C@H]2COc3ccccc32)c1Br 1922899169 AOASKYJERGKXQJ-CABZTGNLSA-N 467.020 6.194 50 10 JKGE Cc1c(Br)sc([C@H](Br)C2CC3(C2)CC3(F)F)c1Br 1922935022 LYRWPYQAHCSBPX-NUQKGASQSA-N 464.995 6.453 50 10 JKGE CC1(C)CCC[C@@H]1[C@H](Br)c1c(Br)sc(Br)c1Cl 1923071381 IPDXTXLYCLWWEN-SVRRBLITSA-N 465.476 7.189 50 10 JKGE FC(F)(F)[C@@H](Br)c1c(Br)sc(Br)c1Br 1924575731 FEDPYTGCWKLOIG-VKHMYHEASA-N 481.751 6.034 50 10 JKGE Cl[C@@H](CCC1CCCC1)c1c(Br)sc(Br)c1Br 1924583107 FZVUSVUYFAFVOV-QMMMGPOBSA-N 465.476 7.286 50 10 JKGE CN1CCC(N(Cc2ccccc2)c2ccc(CBr)cc2Br)CC1 1946828580 XMOOBJYKRWYTRJ-UHFFFAOYSA-N 452.234 5.445 50 10 JKGE BrCc1c(Br)cccc1N1CC2(CC(OCc3ccccc3)C2)C1 2000811196 BLTSZBGOFSYMPO-UHFFFAOYSA-N 451.202 5.530 50 10 JKGE O=C(c1cc(I)ccc1F)N(Cc1ccccc1)[C@H](CCl)C1CC1 2003650292 UCBGXEVFZMFLTD-GOSISDBHSA-N 457.714 5.090 50 10 JKGE CC1([C@@H](Cl)c2c(Br)sc(Br)c2Br)CCOCC1 2005761384 JZBCRGUUCWIWSJ-QMMMGPOBSA-N 467.448 6.132 50 10 JKGE BrCC(CBr)(Cc1cc(Br)ccc1Br)C1CC1 2006503177 KXPVTJJMDIPTHJ-UHFFFAOYSA-N 489.871 5.940 50 10 JKGE CC(C)(CC(F)(F)F)[C@@H](Br)c1cc(Br)ccc1Br 2028616134 DDDRNEJIAQKAFD-JTQLQIEISA-N 452.934 6.626 50 10 JKGE FC1(F)[C@@H]2CC[C@H]([C@@H](Br)c3c(Br)sc(Br)c3Cl)[C@@H]21 2040542677 RZGXPVKWAYYWMN-VYFZPWGTSA-N 485.413 6.654 50 10 JKGE CCN(c1cc(C)cc(Br)c1CBr)[C@@H]1CCN(Cc2ccccc2)C1 2053219410 PLSDZTUUPCLKFU-GOSISDBHSA-N 466.261 5.753 50 10 JKGE Cc1cc(C)c([C@@H](Cl)c2cc(I)sn2)c(C)c1Br 2056488298 SZSGXFRUWPRBPY-ZDUSSCGKSA-N 456.574 5.764 50 10 JKGE Fc1cc(F)c([C@H](Br)c2cc(Br)c(Br)s2)cc1Cl 2058878489 GEIJXVDIGQFIDW-JTQLQIEISA-N 481.381 6.689 50 10 JKGE CC(C)(C)OC(=O)N1CCC[C@@](CI)(O[C@H]2CCCC(F)(F)CC2)C1 2085963621 PTDUJIFKPYWFRN-YOEHRIQHSA-N 473.342 5.176 50 10 JKGE CC(C)Cc1ccc([C@@H](Br)c2cc(Br)ccc2Br)s1 2087333892 YLNPYEUKEGWJTI-HNNXBMFYSA-N 467.064 6.956 50 10 JKGE CCCOc1ccc([C@H](Br)c2sncc2Br)cc1Br 2088927818 RTEKRAYXJFRYDD-LBPRGKRZSA-N 470.024 5.941 50 10 JKGE Cc1cc([C@H](Br)c2cccc(Br)c2Br)c(Cl)cc1F 2092329297 UVDGZNRXYQHXQR-CYBMUJFWSA-N 471.389 6.797 50 10 JKGE Fc1ccc(C[C@@H](Br)c2cccc(Br)c2Br)c(F)c1 2092334209 GELUPPXMTLLCLE-GFCCVEGCSA-N 454.934 6.169 50 10 JKGE Brc1cccc(Br)c1[C@H](Br)c1csc2ccccc12 2094091875 YYWIOQLPLMUSTB-OAHLLOKOSA-N 461.016 6.911 50 10 JKGE CN(c1c(CCl)ccc(Br)c1Cl)[C@@H]1CN(Cc2ccccc2)C(C)(C)C1 2098605426 LFYRTHDSAUNRJS-KRWDZBQOSA-N 456.255 6.331 50 10 JKGE Fc1cc2c(cc1I)nc(CCCl)n2[C@@H]1CC[C@@H]1OCc1ccccc1 2100138393 NUGYCZWQUCTNCJ-MJGOQNOKSA-N 484.740 5.482 50 10 JKGE C[C@H]1Cc2cc([C@@H](Cl)c3cc(I)sn3)cc(Br)c2O1 2120030638 XOOWWBZGBOBAMP-PWCHPLFNSA-N 470.557 5.162 50 10 JKGE Cc1c(CBr)cc(Cl)cc1S(=O)(=O)N(Cc1ccccc1)CC(C)(C)C 2123268999 OXLVFWHJWVIIEI-UHFFFAOYSA-N 458.849 5.780 50 10 JKGE ClC1CCC2(CC1)C[C@@H]2CNc1ncc(I)cc1Br 2133385595 SYAYRTMJQAGAAQ-NAUIOFCNSA-N 455.565 5.048 50 10 JKGE Cc1cc([C@H](Br)c2c(C)c(Br)cc(C)c2Br)sc1Cl 2136372940 XEIJSIHUSCQPDC-ZDUSSCGKSA-N 487.482 7.336 50 10 JKGE Cc1ccc(Cl)c([C@@H](Br)c2ccc(Br)c(C)c2Br)c1 2138872633 LJZMNNPFRGTPCE-HNNXBMFYSA-N 467.426 6.966 50 10 JKGE BrCC(CBr)(CCS[C@H]1CCOC1)c1ccccc1Br 2149123455 NTIWMNFCDPHHGW-LBPRGKRZSA-N 487.095 5.389 50 10 JKGE COc1cc(NC(=O)[C@@H](Br)C2CCCC2)c(Br)cc1Br 2167033398 NQHUWWKVABHLID-ZDUSSCGKSA-N 469.999 5.112 50 10 JKGE Clc1cc(Br)cnc1CC(CBr)(CBr)c1ccccc1 2183580720 DMRQFMOCRKZAIH-UHFFFAOYSA-N 482.441 5.768 50 10 JKGE CN(c1cc(CBr)sc1[N+](=O)[O-])[C@@H]1C[C@@H]2C[C@@H](OCc3ccccc3)C[C@@H]21 2190557180 UMJUVSRYAITQOC-CIRFHOKZSA-N 451.386 5.371 50 10 JKGE Cc1cc(Br)c(C)c([C@@H](Br)c2cc(F)cc(Cl)c2)c1Br 2201067897 OANCBCAPMXCTET-HNNXBMFYSA-N 485.416 7.105 50 10 JKGE Cc1cc(Cl)c([C@@H](Br)c2cc(Cl)c(C)c(Br)c2)cc1Cl 2201360785 CHKJWVBVKQHVQU-HNNXBMFYSA-N 457.420 7.510 50 10 JKGE COc1cc(Cl)c([C@@H](Cl)c2cccc(Br)c2Cl)cc1Br 2202348252 YNOYUKYAIBSBIS-ZDUSSCGKSA-N 459.392 6.855 50 10 JKGE Brc1cccc(CN2CC[C@@H]3CC[C@@H](Br)C[C@@H]3C2)c1Br 2204116516 QULHYATVOLMNDM-IACUBPJLSA-N 466.055 5.597 50 10 JKGE ClCc1cc(Cl)cc(Br)c1OC[C@H]1CC1(Br)Br 2213082420 HISLQRLBQHQOJB-SSDOTTSWSA-N 467.810 5.726 50 10 JKGE CN(C[C@H](Cl)Cc1sc(Br)c(Br)c1Br)C1CC1 2216421631 RVZWBLYSNZVGOD-ZCFIWIBFSA-N 466.464 5.280 50 10 JKGE Cc1sc(Br)c(C)c1[C@H](Br)Cc1ccc(Br)cc1F 2225859734 JJBDYWXHVUVOPE-LLVKDONJSA-N 471.027 6.708 50 10 JKGE Clc1cc(Cl)cc(C[C@@H](Cl)c2c(Br)sc(Br)c2Cl)c1 2232162338 PBOFZYNGDMYCDZ-MRVPVSSYSA-N 483.867 7.756 50 10 JKGE Clc1cc(Br)c([C@H](Br)C[C@@H]2CCC23CCC3)c(Cl)c1Cl 2232509882 FMQMAMXPHNFNAH-DTWKUNHWSA-N 461.452 7.816 50 10 JKGE COc1cc(Br)c(C)cc1[C@@H](Cl)c1ccc(C)c(I)c1 2232836242 FFMJYWICKLTTDD-INIZCTEOSA-N 465.556 6.007 50 10 JKGE ClCc1ccc(Br)c(Cl)c1OCCOCCOCCOCc1ccccc1 2236085854 TWGPORCXRPJJQV-UHFFFAOYSA-N 478.210 5.470 50 10 JKGE BrC[C@@H]1C[C@@H]2CCCC[C@H]2N1Cc1cc(Br)ccc1Br 2240685652 DJDLSZLHJUYRLF-HZUKXOBISA-N 466.055 5.740 50 10 JKGE COc1ccc([C@@H](Br)[C@@H](C)c2ccncc2Br)c(Br)c1 2240825132 JKJKPZZGJTWLGV-VFZGTOFNSA-N 463.995 5.855 50 10 JKGE CC[C@H](Cl)CN(Cc1ccccc1)C(=O)Cc1cc(Br)cc(Br)c1 2252803262 SZNXXJVOFWRNEN-SFHVURJKSA-N 473.636 5.800 50 10 JKGE Clc1sccc1[C@@H](Br)Cc1cc(Br)cc(Br)c1 2252829629 KYSNSUQMIJESAL-NSHDSACASA-N 459.428 6.605 50 10 JKGE COc1ccc([C@H](Cl)c2cc(I)sn2)c(Br)c1Cl 2256329228 KXTDCRNNTXUGSA-JTQLQIEISA-N 478.964 5.500 50 10 JKGE COc1c(Br)cc(Cl)cc1[C@H](Br)c1cn(C)c(Br)n1 2264357158 VWRCTFJCEHWWSA-JTQLQIEISA-N 473.390 5.091 50 10 JKGE Clc1c(Br)csc1[C@H](Br)c1cc(Br)cc2c1OCC2 2264607516 NEWHYIANYGGZPO-SNVBAGLBSA-N 487.438 6.346 50 10 JKGE COc1ccc([C@@H](Br)c2cc(Br)sc2Br)c(C)c1C 2269178523 RCRONUBVNJBQDI-CYBMUJFWSA-N 469.036 6.383 50 10 JKGE COc1cc(C)c(Br)c(C)c1[C@@H](Cl)c1sccc1I 2269605256 ROFKMXBUKSMCNT-CYBMUJFWSA-N 471.585 6.069 50 10 JKGE COc1ccc([C@H](Br)c2c(F)cc(Br)c(F)c2Br)s1 2272748006 QDCIXJGNKWMYOH-JTQLQIEISA-N 476.962 6.044 50 10 JKGE COc1ccc([C@@H](Br)c2ccc(Br)c(C)c2)c(Br)c1Cl 2283554446 PETBXJPHQQXROG-ZDUSSCGKSA-N 483.425 6.666 50 10 JKGE CC1(C)CCC(C)(C)[C@@H](Cc2c(Br)cccc2Br)[C@@H]1Br 2290329767 YVQTUVQJSGSRSO-WFASDCNBSA-N 467.083 6.980 50 10 JKGE FC[C@@]12CC[C@@]([C@H](Br)c3cc(Br)c(Br)cc3F)(CO1)C2 2290449836 VXBWGNGHFDCMPG-RDBSUJKOSA-N 474.965 5.696 50 10 JKGE COc1cc(C=C(C#N)c2ccc(Br)cc2)ccc1Oc1ccc([N+](=O)[O-])cn1 2294229256 BKAAVYISRYLBLH-UHFFFAOYSA-N 452.264 5.617 50 10 JKGE COc1c(Br)cc(Cl)c(C)c1[C@H](Cl)c1sc(C)cc1Br 2295283349 MFPNIMIFBGXVBT-LBPRGKRZSA-N 459.030 6.880 50 10 JKGE COc1ccc(-c2csc(C(C#N)=CNc3ccc(C(=O)OCC(C)C)cc3)n2)cc1OC 2296798367 JOYLXTGXJPDYDX-UHFFFAOYSA-N 463.559 5.617 50 10 JKGE N#CC(=CNc1ccccc1[N+](=O)[O-])c1nc(-c2cc3cc(Br)ccc3oc2=O)cs1 2296801420 HAIYPNZODNBTDU-UHFFFAOYSA-N 495.314 5.564 50 10 JKGE Brc1ccc(OCc2ccccc2)c([C@H](Br)[C@@H]2C[C@@]23CCOC3)c1 2299504904 RDRWHESJHJBAAE-YSIASYRMSA-N 452.186 5.891 50 10 JKGE Brc1cc(OCc2ccccc2)ccc1[C@@H](Br)CCC1CCCC1 2299530003 HVKPMYMOFSRXRH-FQEVSTJZSA-N 452.230 7.435 50 10 JKGE Cc1nn(C)c([C@@H](Cl)c2sc(Cl)cc2I)c1Br 2300949588 NXQCKOMXCJICGK-MRVPVSSYSA-N 465.969 5.139 50 10 JKGE CCCN(Cc1ccc(I)c(Br)c1)C[C@@H](C)Br 2306219314 KSNOANUPYPNOFG-SNVBAGLBSA-N 475.006 5.049 50 10 JKGE CCCOc1c(I)cc(C=C(C#N)C(=O)Nc2ccc(Cl)cc2)cc1OC 2313518400 AQFJCTCKFOSRNJ-UHFFFAOYSA-N 496.732 5.288 50 10 JKGE CC[C@]12CO[C@]([C@H](Br)c3cc(Br)ccc3OCc3ccccc3)(C1)C2 2314442644 CMBKIFXDWAYMKY-NJYVYQBISA-N 466.213 6.423 50 10 JKGE Brc1cc(OCc2ccccc2)ccc1[C@@H](Br)[C@@H]1C[C@@H]2O[C@H]1[C@H]1C[C@@H]21 2314456282 VVQDKKVONHBDMF-OHXCOFTBSA-N 464.197 5.888 50 10 JKGE Brc1cc(OCc2ccccc2)ccc1[C@H](Br)[C@@H]1CCCCC12CC2 2314501346 WMPOEAQDIAPLFI-FPOVZHCZSA-N 464.241 7.435 50 10 JKGE CCCCOc1ccc(C=C(C#N)C(=O)Nc2sc(C)c(-c3ccccc3)c2C(=O)OCC)cc1 2314737785 SLVBLCSNEOTGHY-UHFFFAOYSA-N 488.609 6.625 50 10 JKGE CCC(F)(F)[C@@H](Br)c1c(C)cc(Br)c(OC)c1Br 2317401706 VJWOXSQHIIIYBQ-NSHDSACASA-N 450.943 6.010 50 10 JKGE N#CC(=Cc1cccc(OC(=O)CCCOc2ccc(Cl)cc2Cl)c1)c1ccccc1F 2320510778 CCKIVNVOZFJYDC-UHFFFAOYSA-N 470.327 6.961 50 10 JKGE Brc1cc(CC[C@@H](Br)c2ccccn2)ccc1I 2325205185 VDKDZLCVVNUPJF-LLVKDONJSA-N 480.969 5.518 50 10 JKGE COc1cc(NC(=O)c2ccccc2)c(OC)cc1NC(=O)C(C#N)=Cc1ccc(Cl)cc1 2329652945 LTJKHRXEEFRCOK-UHFFFAOYSA-N 461.905 5.155 50 10 JKGE CCc1ccc(-c2csc(C(C#N)=C(O)[C@H]3CC(=O)N(c4ccccc4C(=O)OC)C3)n2)cc1 2331245672 ILLUQDYUQKCBMI-SFHVURJKSA-N 473.554 5.005 50 10 JKGE COc1ccc(-c2csc(C(C#N)=C(O)C=Cc3cc(OC)c(OC)c(OC)c3)n2)cc1 2331273241 AWFZANOBEFJJHO-UHFFFAOYSA-N 450.516 5.351 50 10 JKGE CCOc1ccc(CCC(O)=C(C#N)c2nc(-c3ccc([N+](=O)[O-])cc3)cs2)cc1OC 2331281363 NKCUVAMHURKDSL-UHFFFAOYSA-N 451.504 5.551 50 10 JKGE N#CC(=C(O)CCCN1C(=O)c2cccc([N+](=O)[O-])c2C1=O)c1nc(-c2ccc(Cl)cc2)cs1 2331300480 IZWXVUZGYCFFCH-UHFFFAOYSA-N 494.916 5.241 50 10 JKGE CC[C@@H](C)N1C(=O)c2ccc(C(O)=C(C#N)c3nc(-c4ccc(Cl)c(Cl)c4)cs3)cc2C1=O 2331311530 QZWGCVPHQFKHFY-GFCCVEGCSA-N 498.391 6.461 50 10 JKGE CCc1cccc(CC)c1N1C[C@@H](C(O)=C(C#N)c2nc(-c3ccc(F)c(C)c3)cs2)CC1=O 2331320583 IFVHKGWSSZTELX-FQEVSTJZSA-N 475.589 6.228 50 10 JKGE COc1cc(C)c(-c2csc(C(C#N)=C(O)c3ccccc3C(=O)c3ccccc3)n2)cc1C(C)C 2331353899 JSPHBQRUUJRISB-UHFFFAOYSA-N 494.616 7.431 50 10 JKGE COc1cc(-c2csc(C(C#N)=C(O)[C@@H](C)Oc3ccc(Cl)cc3)n2)c(OC)cc1Cl 2331376975 RJKJBKOLWGEDLT-GFCCVEGCSA-N 477.369 6.394 50 10 JKGE COc1ccc(-c2csc(C(C#N)=C(O)[C@H](C)Oc3ccc(Cl)cc3)n2)c2ccccc12 2331406457 OSFSNMRRDZFRGQ-HNNXBMFYSA-N 462.958 6.885 50 10 JKGE CCCOc1c(Br)cc(C=C(C#N)c2nc(-c3ccc(C)cc3C)cs2)cc1OC 2331443269 FDVPVHVZFNGTSR-UHFFFAOYSA-N 483.431 7.051 50 10 JKGE Cn1nc([C@H](Br)c2c(F)cc(Cl)c(Br)c2Cl)cc1Br 2335356991 XBKXVTOLQVPPGY-JTQLQIEISA-N 495.799 5.875 50 10 JKGE Brc1ccc(OCc2ccccc2)c([C@@H](Br)C2CC3(C2)CC32CCC2)c1 2336041547 OVDFYHTUYSDIRN-QKTWPWEVSA-N 476.252 7.435 50 10 JKGE Fc1cccc(F)c1C[C@H](Br)c1ccc(OCc2ccccc2)cc1Br 2336051428 RQKIIHFIIYXQIY-IBGZPJMESA-N 482.162 6.985 50 10 JKGE FC(F)(F)[C@@H]1CCO[C@@H]1[C@H](Br)c1cc(Br)ccc1OCc1ccccc1 2336076369 YCWNRWDQSKGAOP-NXHRZFHOSA-N 494.145 6.432 50 10 JKGE Clc1cc(Cl)cc(CC[C@@H](Cl)c2cc(Br)c(Br)s2)c1 2341180133 XNBINXNEQBUKKG-LLVKDONJSA-N 463.449 7.493 50 10 JKGE FC(F)(F)c1cccc([C@H](Cl)c2ccc(OCc3ccccc3)cc2Br)c1 2361195046 MPJKMRZXGCNWNU-FQEVSTJZSA-N 455.701 7.375 50 10 JKGE Brc1ccc(OCc2ccccc2)c([C@H](Br)[C@H]2C[C@@H]2C2CCCCCC2)c1 2361203948 GTGQHBXIWVFBRU-ZFGGDYGUSA-N 492.295 8.071 50 10 JKGE Fc1cc(CBr)c(N2CCC[C@H]2[C@H]2CCN(Cc3ccccc3)C2)cc1Cl 2362394400 MGRRZELTDCQDPF-UWJYYQICSA-N 451.811 5.865 50 10 JKGE Fc1cc([C@H](Br)Cc2ccc(Br)cc2Cl)c(Cl)cc1Cl 2379773128 PMLDAKMGSTVDJZ-SNVBAGLBSA-N 461.383 7.227 50 10 JKGE CC(C)(C)OC(=O)N1CCN(C[C@](C)(CBr)C(C)(C)C)C[C@@H]1CC(F)(F)F 2380179590 JDUQXOXASPQUJI-KSSFIOAISA-N 459.391 5.307 50 10 JKGE Cc1cc(Br)c(C(C)C)cc1[C@@H](Br)c1nn(C)nc1Br 2380949296 LCNUFSMGLBEVIB-GFCCVEGCSA-N 466.015 5.256 50 10 JKGE CC(C)(C)Oc1ccc([C@@H](Br)c2coc(Br)c2)cc1Br 2381324237 VLHJGZPLHVEOJI-CQSZACIVSA-N 466.995 6.466 50 10 JKGE COc1cccc(/C=C(\C#N)C(=O)Nc2ccc(C)c(C)c2)c1OCc1ccc(Br)cc1 3255527 LIKVBNLJPXBSKA-KGENOOAVSA-N 491.385 6.199 50 10 JKGE CCOc1cc(/C=N/NC(=O)c2ccc(NC(=O)c3ccc(C(C)(C)C)cc3)cc2)ccc1O 12491860 WLOQYBZJLMKQMV-OGLMXYFKSA-N 459.546 5.105 50 10 JKGE O=C(CCC(=O)Nc1ccc(Cl)cc1Cl)N/N=C/c1ccccc1OCc1ccccc1 12581028 JOWHJKYVNAWRHF-JFLMPSFJSA-N 470.356 5.441 50 10 JKGE CC[C@@H](C)c1ccccc1OCC(=O)NNC(=O)c1ccc(OCCC(C)C)c(Br)c1 14645584 ORYGBNWCBWSEOT-QGZVFWFLSA-N 491.426 5.228 50 10 JKGE Cc1ccc(N[C@@H](C)C(=O)N/N=C/c2ccccc2OCc2cccc(Br)c2)cc1 27528148 VLZVNUNIEHZPGP-CMPFEXHJSA-N 466.379 5.287 50 10 JKGE N#C/C(C(=O)Nc1ccc(F)cc1)=C1/S[C@H](Cc2ccc(Cl)cc2)C(=O)N1c1ccc(F)cc1 33451450 BHCBUUPKWNRUKL-CKVBZJJFSA-N 495.938 5.683 50 10 JKGE C=CCc1cc(/C=N/NC(=O)c2cc3ccccc3o2)cc(OC)c1OCc1ccc(Cl)cc1 33957920 UBDUCQBDUGJNPZ-MUFRIFMGSA-N 474.944 6.166 50 10 JKGE CCCOc1cccc(-c2nn(-c3ccccc3)cc2/C=C(/C#N)C(=O)Nc2ccc(OCC)cc2)c1 35446614 COOKCSYSXQWMBI-NKFKGCMQSA-N 492.579 6.272 50 10 JKGE CCOc1ccccc1[C@@H]1C(C#N)=C(N)Oc2cc(OC(=O)COc3ccc(C(C)(C)C)cc3)ccc21 38650532 UADDKVCRKRNDQA-NDEPHWFRSA-N 498.579 5.585 50 10 JKGE N#CC1=C(N)Oc2cc(OC(=O)c3cccc4ccccc34)ccc2[C@@H]1c1ccc(Br)cc1 38651731 CBQQGZCROUSLPV-VWLOTQADSA-N 497.348 6.040 50 10 JKGE Cc1cc2oc(C(=O)Oc3ccc4c(c3)OC(N)=C(C#N)[C@H]4c3cccs3)c(C)c2cc1C 38688397 GYNRXATWJBHFFE-QHCPKHFHSA-N 456.523 5.857 50 10 JKGE Cc1cc(C)cc(OC(=O)c2oc3c(c2C)/C(=N/NC(=O)Cc2coc4c(C)c(C)ccc24)CCC3)c1 40826620 OXWWEZQGPOCXIS-QFMPWRQOSA-N 498.579 6.186 50 10 JKGE Cc1cc(Cl)ccc1O[C@@H](C)C(=O)NNC(=O)COc1ccc(C(C)(C)CC(C)(C)C)cc1 40844793 RCRGWCLXFJNSBZ-SFHVURJKSA-N 475.029 5.356 50 10 JKGE CCOc1c(Cl)cc(/C=N/NC(=O)c2ccc(-n3c(C)ccc3-c3ccccc3)cc2)cc1Cl 59303995 SYNAVQFZQSFNNI-OCSSWDANSA-N 492.406 6.922 50 10 JKGE COc1cccc(/C(CSc2nc3ccccc3o2)=N\NC(=O)c2cccc(Cl)c2)c1 59460691 YRHAVKRTFWVWHC-QOMWVZHYSA-N 451.935 5.416 50 10 JKGE CCCCOC(=O)c1cccc(NC(=O)[C@@H](Br)[C@H](Br)c2ccccc2)c1 101643399 KXBBTKZCHSLLKG-MSOLQXFVSA-N 483.200 5.482 50 10 JKGE Fc1cc(Br)ccc1[C@H](Cl)c1cc(Br)sc1Br 109825391 MBXXSOFGALDXQG-JTQLQIEISA-N 463.391 6.503 50 10 JKGE CCc1ccc(NC(=O)/C(C#N)=C/c2ccc(Oc3ccc([N+](=O)[O-])cc3[N+](=O)[O-])cc2)cc1 111904051 FUFOMELWGLJXDS-QGOAFFKASA-N 458.430 5.403 50 10 JKGE COc1ccc(Cl)cc1[C@H](Br)c1cc(Br)c(Br)s1 128274947 WLCRGAYVHVQNOQ-NSHDSACASA-N 475.427 6.419 50 10 JKGE O=C(N[C@H]1CCCCC[C@H]1Br)c1cc(Br)ccc1Br 161235300 YQYVIZWLJJJRHE-OLZOCXBDSA-N 454.000 5.038 50 10 JKGE Brc1ccc(Br)c([C@H](Br)Cc2nc3ccccc3s2)c1 161326360 IUNPNHZHKRJKSE-GFCCVEGCSA-N 476.031 6.500 50 10 JKGE C[C@H](NC(=O)NC[C@@]1(C)C[C@@H](N=C=O)CC(C)(C)C1)C1(c2ccc(Br)cc2)CC1 170290048 PEFLRAACNSEDAH-BPXKWBHBSA-N 462.432 5.089 50 10 JKGE CCOc1cc(/C=C2\C(=O)N(Cc3ccccc3)C(=O)C(C#N)=C2C)ccc1OCc1ccccc1 214282504 PVRPVERDNQDLGG-XYGWBWBKSA-N 478.548 5.457 50 10 JKGE COc1cc(C[C@H](Br)C(=O)C(C)(C)C)c(Br)cc1Br 234896486 TXFOODNSUUQAKN-NSHDSACASA-N 457.000 5.141 50 10 JKGE Cc1cc(C=NNC(=O)CSc2nc3ccccc3s2)c(C)n1-c1ccc(Cl)c(Cl)c1 252592739 BGAVFQCXWKPWTR-UHFFFAOYSA-N 489.453 6.253 50 10 JKGE COc1cc(C=NNC(=O)c2ccc(C)cc2OC)ccc1OCc1ccc(Cl)c(Cl)c1 252628602 STWLGGNVDZGDQS-UHFFFAOYSA-N 473.356 5.662 50 10 JKGE COc1cc(C=NNC(=O)c2ccccc2Cl)ccc1OC(=O)c1sc2ccccc2c1Cl 254379936 ZEXZCMFUAJSXOI-UHFFFAOYSA-N 499.375 6.200 50 10 JKGE CCCCOc1ccc(C(=O)NCC(=O)NN=Cc2c3ccccc3cc3ccccc23)cc1 254863197 GKBMQRPLZCLFQU-UHFFFAOYSA-N 453.542 5.052 50 10 JKGE O=C(COc1ccccc1-c1ccccc1)NN=Cc1ccc(-c2cccc(C(F)(F)F)c2)o1 254871449 VDFDXFCQUFZQBA-UHFFFAOYSA-N 464.443 6.162 50 10 JKGE Cc1cc(C)c([C@H](Cl)c2csc(I)c2)c(C)c1Br 302471046 XKWJNZURTZJCOG-CQSZACIVSA-N 455.586 6.369 50 10 JKGE Cc1cc(C)c([C@H](Br)c2ccc(Cl)cc2Br)c(C)c1Br 312748070 KMMNXVHMMHBJNQ-MRXNPFEDSA-N 481.453 7.275 50 10 JKGE C[C@@H](Cl)c1nc2cc(I)ccc2n1CC[C@@H](C)N(C)Cc1ccccc1 379621287 UKHRKRBSQLECMF-HZPDHXFCSA-N 481.809 5.851 50 10 JKGE CCCOc1ccc([C@H](Br)c2ccccc2OCc2ccccc2)cc1Br 380594998 YJUACMGUDUXCDK-QHCPKHFHSA-N 490.235 7.301 50 10 JKGE Oc1c(Cl)cc(Cl)cc1[C@H]1CN(Cc2ccccc2)C[C@H]1CI 382715938 KJDUFOBFKRXVIF-CJNGLKHVSA-N 462.158 5.350 50 10 JKGE Cc1cc(Br)ccc1[C@@H](Br)c1cc(Cl)c(Cl)c(Cl)c1Cl 404665171 UOHFHIPQXDWVBG-LLVKDONJSA-N 477.838 7.855 50 10 JKGE CC(C)(C)OC(=O)NCCN1C[C@H](c2cccc(CO[Si](C)(C)C(C)(C)C)c2)Cc2ccccc21 616672743 JQVTUTLHEICXJT-RUZDIDTESA-N 496.768 6.879 50 10 JKGE Brc1cc2c(c([C@@H](Br)c3nscc3Br)c1)OCCC2 688382656 UDJKZFIVSCSHIU-LLVKDONJSA-N 468.008 5.477 50 10 JKGE BrCc1cc(Br)ccc1N1CC[C@H]2[C@@H](CCCN2Cc2ccccc2)C1 715013972 GPICIDDACPSBJN-AVRDEDQJSA-N 478.272 5.835 50 10 JKGE C[C@H](Cl)c1nc2cc(I)ccc2n1C[C@H]1CCN1Cc1ccccc1 716235905 DXRMYDAZEAFIIA-WMLDXEAASA-N 465.766 5.215 50 10 JKGE O=C(NC1CCCCCC1)[C@@H](c1cccs1)N(C(=O)CCl)c1cccc(C(F)(F)F)c1 725238787 XFDUMPWGYILUGN-HXUWFJFHSA-N 472.960 5.919 50 10 JKGE CCOc1cc(/C=C(/C#N)C(=O)Nc2ccc(C)c(C)c2)ccc1OCc1cccc2ccccc12 725402055 SXMOKZZKBIEWGQ-ONUIUJJFSA-N 476.576 6.980 50 10 JKGE CCOc1ccc(C(=O)NN=Cc2cn(Cc3ccc(Br)cc3)c3ccccc23)cc1 1083994855 BYWQUZWRIBZFHH-UHFFFAOYSA-N 476.374 5.615 50 10 JKGE COc1ccc(O)c(C=NNC(=O)CSc2c(Cl)c(Cl)c(Cl)c(Cl)c2Cl)c1 1084291553 ZRKBLOZVAZMURJ-UHFFFAOYSA-N 488.607 5.910 50 10 JKGE N#CSc1ccc(NC(=O)C2CCN(C(=O)/C=C/c3ccc(OCc4ccccc4)cc3)CC2)cc1 1860594669 HAYRLBYMYPSVJA-OVCLIPMQSA-N 497.620 5.729 50 10 JKGE N#CC1=C(N)Oc2c(c(-c3ccccc3)nn2-c2ccc(Br)cc2)[C@H]1c1ccccc1 1865680150 AABDIPDAZZOGIV-NRFANRHFSA-N 469.342 5.520 50 10 JKGE CC(C)(C)c1ccc([C@@H]2C(C#N)=C(N)Oc3c2c(-c2ccccc2)nn3-c2cccc3ccccc23)cc1 1865682436 OHLATHMZOVNVRA-MUUNZHRXSA-N 496.614 7.208 50 10 JKGE N#CC1=C(N)Oc2c(c(-c3ccccc3)nn2-c2cccc3ccccc23)[C@@H]1c1cc(Cl)ccc1O 1865689434 RYQYJXXJQPSTFI-RUZDIDTESA-N 490.950 6.270 50 10 JKGE Cc1ccccc1COc1ccc([C@@H]2C(C#N)=C(N)Oc3c2c(C)nn3-c2ccccc2Cl)cc1 1865703420 VLQPKEUVOSKQEJ-AREMUKBSSA-N 482.971 5.940 50 10 JKGE C/C(=N/NC(=O)c1ccc(-c2ccc(Cl)cc2Cl)nc1C)c1ccc(OC(C)C)cc1 1865763313 FVKXOQUPCOHYLM-MBTHVWNTSA-N 456.373 6.305 50 10 JKGE CC[C@@](C)(NC(=O)C[C@@H](c1ccccc1)c1cccc(F)c1)C(=O)Nc1ccc(SC#N)cc1 1866783220 PWRPWRLUDWGCAW-RPLLCQBOSA-N 475.589 5.844 50 10 JKGE CC[C@@H](NC(=O)C[C@H](c1ccccc1)c1cccc(F)c1)C(=O)Nc1ccc(SC#N)cc1 1866784336 VGRRPSDQPPVRLD-DNQXCXABSA-N 461.562 5.454 50 10 JKGE CCC[C@H](NC(=O)[C@@H](c1ccc(C(C)C)cc1)C(C)C)C(=O)Nc1ccc(SC#N)cc1 1866964661 YORHEJYIDILZMG-BJKOFHAPSA-N 451.636 6.046 50 10 JKGE CC(C)[C@H](C(=O)N[C@H](C(=O)Nc1ccc(SC#N)cc1)c1ccccc1)c1ccc(F)cc1 1866970692 DAOVFMVYPMHURT-ZEQRLZLVSA-N 461.562 5.635 50 10 JKGE COCCc1nc(Nc2ccc(SC#N)cc2)cc(N2CCC[C@@H]2c2ccc(C(F)(F)F)cc2)n1 1868253042 AOURWKLCTAUZBK-OAQYLSRUSA-N 499.562 6.343 50 10 JKGE CCc1nc(Nc2ccc(SC#N)cc2)cc(N2CCC[C@@H](CS(=O)(=O)c3ccccc3)C2)n1 1868278272 YJFQUQZNLJJDKT-LJQANCHMSA-N 493.658 5.046 50 10 JKGE CCCCOc1ccc(/C=C(\C#N)c2nc(-c3ccc(OC)c(OC)c3)cs2)cc1OC 1872781429 GERQFFXYNYLUAA-XDHOZWIPSA-N 450.560 6.079 50 10 JKGE COc1cc(/C=C(\C#N)c2nc(-c3ccc(F)c(F)c3)cs2)cc(Br)c1OC(C)C 1872793031 DTWDNMUCYAJOEK-GIDUJCDVSA-N 491.357 6.711 50 10 JKGE COc1ccc(C(C)(C)C)cc1-c1csc(/C(C#N)=C/c2ccc(OCc3ccc(C)cc3)cc2)n1 1872793248 PYLQVOWETOYSQE-LFVJCYFKSA-N 494.660 8.068 50 10 JKGE CCCCCCOc1ccc(/C=N/NC(=O)[C@H](CC(C)C)NC(=O)OC(C)(C)C)cc1OC 1873795309 WUFAUDBGWUXAJL-UBYGEMSKSA-N 463.619 5.044 50 10 JKGE COc1cc(C)c([C@H](Br)c2cc(Br)c(Cl)s2)cc1Br 1901630449 NJSFPEHGVWRUGM-LBPRGKRZSA-N 489.454 6.728 50 10 JKGE C[C@H](CCCl)N(Cc1ccccc1)C(=O)c1csc(Br)c1Br 1915084880 SOFFHJKCCSPMOZ-LLVKDONJSA-N 465.638 5.933 50 10 JKGE CC(C)(CCl)N(Cc1ccccc1)C(=O)c1scc(Br)c1Br 1915751859 YGRCFBJCZZLXGR-UHFFFAOYSA-N 465.638 5.933 50 10 JKGE Cc1c(Br)sc([C@H](Br)[C@@]23CCCC[C@@H]2OCC3)c1Br 1922930619 UOQWKIVYWQSBSR-DUFXMDAXSA-N 473.068 6.367 50 10 JKGE COc1ccc([C@@H](Br)c2sc(Br)cc2Br)cc1F 1922946375 QMLCNDKMEUVQAO-LLVKDONJSA-N 458.972 5.905 50 10 JKGE CC(C)C1([C@H](Br)c2c(Br)sc(Br)c2Br)CC1 1924609049 RJMUNDSORPCOTJ-MRVPVSSYSA-N 495.900 6.908 50 10 JKGE Brc1csc([C@@H]2CCC[C@@H](CI)O2)c1Br 1930750009 RSDGYFXAHBYPSZ-XPUUQOCRSA-N 465.976 5.318 50 10 JKGE Cc1cc([C@H](Br)c2c(Br)cccc2Br)sc1Cl 1945323782 UGVOWPSLHIELTC-NSHDSACASA-N 459.428 6.719 50 10 JKGE COc1sc([C@H](Br)c2cc(Br)sc2C)cc1Br 1946726708 JOUWTBNZMVOTGU-SNVBAGLBSA-N 461.038 6.136 50 10 JKGE CC1(C)CO[C@H]([C@@H](Br)c2c(Br)sc(Br)c2Cl)C1 2001535794 RCBIVJHGKGFPBG-CAHLUQPWSA-N 467.448 6.178 50 10 JKGE Cc1ccc(S(=O)(=O)OC[C@H](COCc2ccccc2)O[Si](C)(C)C(C)(C)C)cc1 2086865270 BVJFKDKPBUKZLN-NRFANRHFSA-N 450.673 5.308 50 10 JKGE Fc1cc(CBr)ccc1OCc1cccc(Br)c1Br 2092330222 GMQLXFQEZLSPIG-UHFFFAOYSA-N 452.943 5.825 50 10 JKGE Cc1cc(Br)c([C@@H](Br)C2CC3(C2)CC3(F)F)cc1Br 2098023698 CEWZCJQBUVVIBI-CXJYDNQRSA-N 458.966 6.391 50 10 JKGE CN(C(=O)c1csc(Br)c1Br)C1(CBr)CC(C)(C)C1 2108314771 LJZJFKZWPXHFBC-UHFFFAOYSA-N 474.056 5.299 50 10 JKGE Cc1c(Cl)cc([C@H](Br)Cc2ccncc2Br)cc1Br 2111082896 KVGVAHOQYJLRJX-GFCCVEGCSA-N 468.414 6.247 50 10 JKGE Cn1nc(COc2c(Br)cc(Br)cc2CCl)cc1Br 2111921975 BRGBISNQCLKSGW-UHFFFAOYSA-N 473.390 5.025 50 10 JKGE CN(Cc1ccccc1)[C@H]1CCCCN(c2cc(Br)cc(F)c2CBr)C1 2114266459 SFQGUGDIZXUSMV-SFHVURJKSA-N 484.251 5.974 50 10 JKGE CCC(CC)(CC)[C@H](Br)c1c(C)c(Br)cc(C)c1Br 2136379663 MUAKQQMMRBDBDE-OAHLLOKOSA-N 455.072 7.481 50 10 JKGE Fc1cccc([C@@H](Br)CCc2ccc(I)c(Cl)c2)c1 2142937060 NMSKIKMVZGHCSW-ZDUSSCGKSA-N 453.520 6.153 50 10 JKGE Brc1ccc(Br)c([C@@H](Br)c2cccc3c2CCCC3)c1 2146386440 KVCMTRHHGBDUKP-KRWDZBQOSA-N 459.019 6.575 50 10 JKGE COc1ccc(Br)cc1[C@H](Br)c1cc(C2CC2)c(Br)s1 2151033337 QRWBNAGIRCRCSP-AWEZNQCLSA-N 481.047 6.643 50 10 JKGE ClC[C@H](Cc1ccccc1Br)Cc1cc(Br)ccc1Br 2175146843 IFFSBZVYCSQGSU-LLVKDONJSA-N 481.453 6.614 50 10 JKGE FC(F)(F)[C@@H]1CN(Cc2ccccc2)CCN1c1c(CCl)ccc(Br)c1Cl 2186709213 BBSAITCJJAVAAA-INIZCTEOSA-N 482.171 6.094 50 10 JKGE Cc1cc(Br)c(C)c([C@@H](Br)C2CC3(CCOC3)C2)c1Br 2201070718 ZHMJTUVOGMKPJQ-AJQRCPHMSA-N 467.039 6.081 50 10 JKGE Cc1cc(Br)c(C)c([C@H](Br)[C@@H]2CC3CCC2CC3)c1Br 2201075811 WKMBOUUCHZHORZ-CAEPASBNSA-N 465.067 7.091 50 10 JKGE COc1c(Cl)cc(Br)cc1[C@H](Br)c1c(C)cccc1Br 2203003266 LWXWNMBWOFMWNL-AWEZNQCLSA-N 483.425 6.666 50 10 JKGE Cc1c(Br)ccc([C@@H](Br)c2csc(C(F)(F)F)c2)c1Br 2203694905 UZXRLEWVHANFPR-LBPRGKRZSA-N 492.980 7.085 50 10 JKGE Brc1sc(C[C@H](Br)c2ccco2)c(Br)c1Br 2212188758 DSULTAKKVZYGDF-YFKPBYRVSA-N 493.840 6.307 50 10 JKGE Cc1cc(Br)c([C@@H](Br)c2cc(Cl)c(Cl)s2)c(C)c1Cl 2224311426 LXKXPEKDWHAFKS-NSHDSACASA-N 463.449 7.572 50 10 JKGE Fc1cc(Br)c(Br)cc1[C@@H](Br)C1CC2(C1)CC21CC1 2225616200 DGAGWAYWKOOEOD-KYAFNEOASA-N 452.987 6.367 50 10 JKGE Fc1cc(Br)c(Br)cc1[C@H](Cl)c1cc(Cl)ccc1Br 2225633316 IJVBRLXMVLXBNY-CYBMUJFWSA-N 491.807 7.095 50 10 JKGE Cc1cc(Br)c([C@H](Br)[C@H]2C[C@H]2C(C)(F)F)c(C)c1Br 2227352790 QWDIKGHETPEHSJ-IGJMFERPSA-N 460.982 6.556 50 10 JKGE Cc1c(F)ccc([C@@H](Br)c2cc(Cl)ccc2I)c1F 2231080059 QJORAWUGAMOGAW-CYBMUJFWSA-N 457.483 6.016 50 10 JKGE CC(C)(C)OC1CC(C[C@H](Br)c2cc(Br)ccc2Br)C1 2232948908 DDDUXOLHFVZZFG-QHAMSDLMSA-N 469.055 6.631 50 10 JKGE Cc1c(Br)sc([C@H](Br)c2scc(Br)c2Cl)c1C 2246475699 LTRNIPFUGDPUEU-ZETCQYMHSA-N 479.484 7.089 50 10 JKGE Cc1nscc1C[C@@H](Br)c1ccc(I)c(Br)c1 2246952476 RMVSHDLKURJPSA-SNVBAGLBSA-N 486.998 5.497 50 10 JKGE Cc1sc(Br)cc1[C@@H](Br)c1cccc(Cl)c1Br 2248089873 DFUHGXRTHYJFPK-NSHDSACASA-N 459.428 6.719 50 10 JKGE C[C@@H](Br)CN(C(=O)c1scc(Br)c1Br)C(C)(C)C 2259800928 BWNIFVSVXFBZEE-SSDOTTSWSA-N 462.045 5.297 50 10 JKGE FC(F)(F)c1ccc([C@H](Br)c2cc(Br)c(Br)s2)s1 2263327955 KDGXVOYESKAZEG-QMMMGPOBSA-N 484.982 6.838 50 10 JKGE COc1cc(Br)c(C)cc1[C@@H](Br)c1scc(Br)c1Cl 2264609416 LCRPFCBVQOAYBO-LLVKDONJSA-N 489.454 6.728 50 10 JKGE Fc1ccc(C[C@H](Br)c2ccc(Cl)c(I)c2)c(F)c1 2268324072 XRPCSHUFHJDNTL-NSHDSACASA-N 457.483 5.902 50 10 JKGE COc1c(Br)cc(Cl)cc1[C@@H](Br)c1cc(Br)sc1C 2277974076 FVRFDTWSRBMFNV-LBPRGKRZSA-N 489.454 6.728 50 10 JKGE COc1cc(OC)c([C@H](Br)c2ccoc2Br)cc1Br 2278034787 RDBJEUCFVDLNQS-GFCCVEGCSA-N 454.940 5.306 50 10 JKGE Fc1cc(Br)c(F)c(Br)c1[C@H](Cl)c1cc(Cl)cc(Cl)c1 2288358920 ZKLAKRSCWOULES-GFCCVEGCSA-N 465.346 7.125 50 10 JKGE Fc1cc(Br)c(F)c(Br)c1[C@H](Br)[C@H]1CCCCC1(F)F 2288376798 QABGDQOOAWPUKB-LHLIQPBNSA-N 482.935 6.751 50 10 JKGE N#CC(=Cc1ccccc1)C(=O)Oc1ccc2c(=O)c(-c3ccc(Cl)cc3Cl)coc2c1 2293189817 MYSYAJSZFXFVBV-UHFFFAOYSA-N 462.288 6.279 50 10 JKGE CC(C)Oc1ccc(-c2nn(-c3ccccc3)cc2C=C(C#N)c2nc3ccccc3s2)cc1 2296539112 CETZPNVTSLLJNR-UHFFFAOYSA-N 462.578 7.000 50 10 JKGE COc1ccc(NC(=O)C(C#N)=Cc2ccc(OCc3c(Cl)cccc3Cl)cc2)cc1 2297491166 KKKHYXVRKPRQCK-UHFFFAOYSA-N 453.325 6.127 50 10 JKGE FC(F)(F)[C@@H]1C[C@@H]1[C@@H](Br)c1cc(Br)ccc1OCc1ccccc1 2299504168 LJATZRUCMKFYDY-YSVLISHTSA-N 464.119 6.663 50 10 JKGE Clc1cc(Cl)cc([C@H](Br)c2sc(Cl)cc2I)c1 2301083158 GCXVYZDLYBXGKU-JTQLQIEISA-N 482.395 6.797 50 10 JKGE N#CC(=Cc1cn(Cc2ccccc2Cl)c2ccc(Br)cc12)C(=O)NC1CC1 2313624097 MFEBZVVPPBIYIN-UHFFFAOYSA-N 454.755 5.291 50 10 JKGE Cc1ccc(-c2csc(C(C#N)=C(O)c3ccc(-c4ccc(Cl)cc4Cl)o3)n2)cc1 2314457279 CUEFUGIECFKKLF-UHFFFAOYSA-N 453.350 7.635 50 10 JKGE COc1ccc([C@H](Br)c2cc(Br)ccc2OCc2ccccc2)cc1 2314490206 MTBBFCDFHCFRJF-NRFANRHFSA-N 462.181 6.521 50 10 JKGE Cc1c([C@H](Cl)c2ccc(OCc3ccccc3)cc2Br)c(Br)nn1C 2314496718 DMUUZUOTWDTLQQ-GOSISDBHSA-N 484.619 6.161 50 10 JKGE CCOC(=O)c1ccc(-c2ccc(C=C3C(=O)N(Cc4ccc(F)cc4)C(=O)C(C#N)=C3C)o2)cc1 2314620200 MKNURHPRLSXBEV-UHFFFAOYSA-N 484.483 5.055 50 10 JKGE FC(F)c1ccc([C@@H](Br)c2sc(Cl)cc2I)cc1 2316600755 KGGRWTMZWNPUPI-SNVBAGLBSA-N 463.512 6.428 50 10 JKGE C[C@H]1C[C@H]2C[C@]([C@@H](Br)c3cc(Br)ccc3OCc3ccccc3)(C2)O1 2319802653 HGHMXGMKFKGGHI-PQOQACGUSA-N 466.213 6.422 50 10 JKGE COc1ccc(-c2ccc(C(=O)NN=Cc3cccc(OCc4ccccc4)c3)c(C)n2)cc1OC 2321248616 TXPZLRJNPKWVCT-UHFFFAOYSA-N 481.552 5.417 50 10 JKGE CC(=O)Nc1ccc(NC(=O)C(C#N)=CNc2ccc(-c3nc4ccc(C)cc4s3)cc2)cc1 2324178718 CUAKCYIRGDSQFT-UHFFFAOYSA-N 467.554 5.688 50 10 JKGE CCCCc1ccc(-c2csc(C(C#N)=C(O)c3ccc4c(c3)C(=O)N([C@@H](C)CC)C4=O)n2)cc1 2331255859 CIOFFSCPMFAWAZ-KRWDZBQOSA-N 485.609 6.497 50 10 JKGE COC(=O)c1ccc(C=CC(O)=C(C#N)c2nc(-c3cccc(Br)c3)cs2)cc1 2331278941 TYSCADWPBYPRPT-UHFFFAOYSA-N 467.344 5.865 50 10 JKGE Cc1ccc(-c2csc(C(C#N)=C(O)c3ccc4c(c3)C(=O)N(c3cc(C)ccc3C)C4=O)n2)cc1 2331312458 XXWHJNLDDWUKST-UHFFFAOYSA-N 491.572 6.486 50 10 JKGE CCCCCCCOc1ccc(-c2csc(C(C#N)=C(O)CCCOc3ccccc3C)n2)cc1 2331345407 IOSLFPNHWHMLHI-UHFFFAOYSA-N 490.669 8.120 50 10 JKGE CCCCCCCOc1ccc(-c2csc(C(C#N)=C(O)C=Cc3ccc([N+](=O)[O-])cc3)n2)cc1 2331345844 DCQWAHYNHQQPEW-UHFFFAOYSA-N 489.597 7.574 50 10 JKGE CCCOc1ccc(CC(O)=C(C#N)c2nc(-c3ccc(OCC)cc3OCC)cs2)cc1 2331387010 NOGFCYBVIMRLFQ-UHFFFAOYSA-N 464.587 6.432 50 10 JKGE Cc1cc(OCC(O)=C(C#N)c2nc(-c3cc(Cl)ccc3Cl)cs2)cc(C)c1Cl 2331404583 RSAKSBUBVNKWLY-UHFFFAOYSA-N 465.789 7.259 50 10 JKGE COc1ccc(OC)c(-c2csc(C(C#N)=Cc3ccc(OCc4ccc(Cl)cc4)cc3)n2)c1 2331450501 QKCMIHFKEUDDHI-UHFFFAOYSA-N 488.996 7.124 50 10 JKGE Cc1ccc(-c2csc(C(C#N)=Cc3ccc(OCc4ccc(Cl)cc4Cl)cc3)n2)cc1C 2331472965 JYYYGWLIKYPCCH-UHFFFAOYSA-N 491.443 8.377 50 10 JKGE COc1ccc(-c2csc(C(C#N)=Cc3ccc(OC(=O)c4ccccc4)cc3)n2)c(OC)c1OC 2331492849 VVHGIWOPFVBJON-UHFFFAOYSA-N 498.560 6.119 50 10 JKGE CC(C=O)=CCC[C@H](C)[C@@H]1CC[C@]2(C)[C@@H]3CC[C@H]([C@](C)(O)CO)[C@]4(CCC(=O)O)C[C@]34CC[C@@]12C 2333304002 XDQDTZXKPKVGKT-MBCJVQTFSA-N 488.709 5.775 50 10 JKGE Fc1c(Br)cc(Cl)c([C@H](Br)[C@H]2CCC(F)(F)C2)c1Br 2337088726 PGKRLLRDSHIQEU-SSDLBLMSSA-N 485.363 6.876 50 10 JKGE Cc1nn(C)c2sc([C@H](Br)c3sc(Cl)cc3I)cc12 2338565800 DVKWBSUSMRLCMX-JTQLQIEISA-N 487.613 5.747 50 10 JKGE Cc1c(F)ccc([C@H](Br)c2c(Br)c(Br)nn2C)c1C 2338719909 LXPXXLJSEAHNKF-JTQLQIEISA-N 454.963 5.185 50 10 JKGE O=C(Nc1ccc(CBr)c(F)c1)c1cc(Br)c(Br)s1 2341919777 KPYHSYPUGIOIPX-UHFFFAOYSA-N 471.971 5.559 50 10 JKGE Cc1sc(Br)c([C@H](Cl)c2c(F)cc(Cl)c(Br)c2Cl)c1C 2360419598 BIVAXQCPLZELOR-NSHDSACASA-N 481.439 7.664 50 10 JKGE Fc1cc(Cl)c(Br)c(Cl)c1[C@@H](Br)[C@@H]1CC12CC(F)(F)C2 2360425184 ACOYFKBCRMZKMR-CDUCUWFYSA-N 452.923 6.766 50 10 JKGE CCCCCCCCCC[C@H](Cl)c1ccc(OCc2ccccc2)cc1Br 2361194998 MGIYIQXOKRMYKX-DEOSSOPVSA-N 451.876 8.839 50 10 JKGE FC(F)(F)c1cccc([C@@H](Cl)c2ccc(OCc3ccccc3)cc2Br)c1 2361195047 MPJKMRZXGCNWNU-HXUWFJFHSA-N 455.701 7.375 50 10 JKGE FC(F)Oc1ccc([C@H](Br)c2ccc(OCc3ccccc3)cc2Br)cc1 2361200508 JYMGJWCSVXYUBP-FQEVSTJZSA-N 498.161 7.114 50 10 JKGE Fc1cc(CBr)c(N2CC[C@H]3CCN(Cc4ccccc4)C[C@H]3C2)cc1Cl 2362393706 FQOLBCZCQXTFDC-MJGOQNOKSA-N 451.811 5.722 50 10 JKGE COc1cc(C)c(Br)cc1[C@H](Cl)c1c(Br)c(Br)nn1C 2364037833 UTUVOTKZVMNJIU-NSHDSACASA-N 487.417 5.353 50 10 JKGE COc1cscc1[C@H](Br)c1c(C)cc(Br)c(OC)c1Br 2365215265 IMNYICIBHNEDRV-LBPRGKRZSA-N 485.035 6.083 50 10 JKGE CC(C)[C@H](Br)C(C)(C)CNC(=O)c1ccc(Cl)cc1I 2366001979 DGDZRTUQWZRHOH-ZDUSSCGKSA-N 472.592 5.120 50 10 JKGE CC(C)(C)[C@@H]1CC[C@H]1COc1c(Br)cc(CBr)cc1Br 2369290224 LEZQZASPPWVBCF-NWDGAFQWSA-N 469.055 6.558 50 10 JKGE Cl[C@H]1CCCCCCCC[C@H]1Cc1ccc(I)c(Br)c1 2377255582 RACNXVLSHSSZIX-HOCLYGCPSA-N 469.632 6.954 50 10 JKGE ClC[C@H](CC1CCCCC1)NCc1ccc(I)c(Br)c1 2377333478 YMHKWJNWHAFHRF-AWEZNQCLSA-N 470.620 5.721 50 10 JKGE Cc1ccc(N2C(=O)[C@H](Cc3cccc(Cl)c3)S/C2=C(\C#N)C(=O)Nc2ccccc2)cc1 16739830 CGVBDLHDNYDKEI-GPSDDGMOSA-N 473.985 5.713 50 10 JKGE COc1ccc(/C(C#N)=C\c2ccc(OC(=O)c3ccc(Br)cc3)c(OC)c2)cc1 31902224 DGUJZVXVVGSQHF-UYRXBGFRSA-N 464.315 5.750 50 10 JKGE Cc1ccc(-c2nc(OC(C)C)nn2-c2ccc(NC(=O)[C@H](Cl)c3ccccc3)cc2)cc1 35777707 LBXGFMXPCGNCSH-HSZRJFAPSA-N 460.965 5.949 50 10 JKGE CCCCOc1ccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4ccc(C(C)(C)C)cc4)ccc32)cc1 38650749 MGXOEFFBXMIWLU-MUUNZHRXSA-N 496.607 6.600 50 10 JKGE N#CC1=C(N)Oc2cc(OC(=O)c3ccc(Cl)cc3)ccc2[C@@H]1c1ccc(Cl)c(Cl)c1 38655701 KHTZUUPOXJBLNI-NRFANRHFSA-N 471.727 6.084 50 10 JKGE CCCOc1ccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4ccccc4F)ccc32)cc1OCC 38683933 QNRBDVLSPZIHBN-AREMUKBSSA-N 488.515 5.451 50 10 JKGE N#C/C(=C1/C(=O)Nc2c(Cl)cc(Cl)cc21)c1nc(-c2ccc(Br)cc2)cs1 39404516 OZCPWBAHFYCPFP-SSZFMOIBSA-N 477.170 6.266 50 10 JKGE Cc1c(C(=O)N2CCCCCC2)oc2c1/C(=N/NC(=O)c1ccc(Cl)cc1Cl)CCC2 40813706 OCLMDKRYQGUMKD-NLRVBDNBSA-N 462.377 5.381 50 10 JKGE COc1ccccc1NC(=O)c1oc2c(c1C)/C(=N/NC(=O)Cc1coc3c(C)c(C)ccc13)CCC2 40826724 OGNVQGOHEMCSDP-DFKUXCBWSA-N 499.567 5.611 50 10 JKGE C[C@@H](Oc1ccc(Cl)cc1Cl)C(=O)N/N=C/c1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1 59153217 BEANPWBLBSHQOY-HWDKICEFSA-N 465.421 6.212 50 10 JKGE Cc1ccc(C2=CS/C(=C(/C#N)C(=O)CSc3nnc(-c4ccccc4F)n3C3CC3)N2)cc1 97819734 QARXIYIJRLJJQW-CLCOLTQESA-N 489.601 5.459 50 10 JKGE CCSC1=NC(c2ccccc2)=NC(=O)[C@H]1[P+](c1ccccc1)(c1ccccc1)c1ccccc1 102132539 IZKYJOSFJQPVKA-HHHXNRCGSA-N 493.592 5.488 50 10 JKGE C[C@H]([C@@H]1CCC[C@H]1P(c1ccccc1)c1ccccc1)N(C)P(c1ccccc1)c1ccccc1 108794728 XTEZRKIYDYCSEW-WHODAWOQSA-N 495.587 6.656 50 10 JKGE Clc1ccc(Br)cc1[C@@H](Cl)c1cc2c(cc1Br)OCCO2 109821711 MDGYJCUWZHOSJO-HNNXBMFYSA-N 452.957 5.964 50 10 JKGE CCOc1ccc(Br)cc1[C@@H](Br)c1ccc(Br)c(F)c1 109871530 FBRHXFFUQNKZPF-HNNXBMFYSA-N 466.970 6.234 50 10 JKGE Fc1cc(Br)ccc1CC(CBr)(CBr)Cc1ccccc1 118875700 UYOACHOTTCCHSJ-UHFFFAOYSA-N 479.025 6.150 50 10 JKGE CCOC(=O)c1c(NC(=O)/C(C#N)=C\c2ccc(-c3ccccc3F)o2)sc2c1CC[C@H](CC)C2 209398912 JGXYOTKCLFRUTC-GDGUIRGDSA-N 492.572 6.384 50 10 JKGE Cc1sc([C@H](Cl)c2ccc(Br)cc2Br)cc1Br 235974841 VCZXEJXFPZSOOP-GFCCVEGCSA-N 459.428 6.672 50 10 JKGE Cc1[nH]c2ccccc2c1C=NNC(=O)COc1ccc(C(C)(C)CC(C)(C)C)cc1[N+](=O)[O-] 252603404 FQKXLHZSNPFIST-UHFFFAOYSA-N 464.566 5.627 50 10 JKGE O=C(NN=Cc1ccc(Sc2nnc(-c3ccccc3)n2-c2ccccc2)o1)c1ccco1 254384184 PSMUKQBNVYMZLB-UHFFFAOYSA-N 455.499 5.035 50 10 JKGE CC[C@H](C)c1ccccc1OCCn1c(C)c(C=NNC(=O)c2ccncc2)c2ccccc21 254671966 XUVGOPNAISJYQJ-FQEVSTJZSA-N 454.574 5.701 50 10 JKGE CC(C)(C)C(=O)[C@@H](Br)Cc1c(Br)cc(Cl)cc1Br 305900192 ASOWGUPMYDEIMZ-NSHDSACASA-N 461.419 5.786 50 10 JKGE ClCc1nc2c(Br)cccc2n1-c1ccc(I)cc1Cl 312491872 BIDPICSOTOOMCZ-UHFFFAOYSA-N 481.946 5.785 50 10 JKGE Fc1c(Br)cccc1[C@@H](Cl)c1scc(C(F)(F)F)c1Br 380310749 IAHJCZBELHIPMH-SECBINFHSA-N 452.492 6.759 50 10 JKGE FC(F)(F)c1csc([C@H](Br)c2ccc(Br)cc2)c1Br 388003107 PKOOLYMLEHOWGO-SECBINFHSA-N 478.953 6.776 50 10 JKGE Cc1cc(Br)c([C@@H](Br)C(C)(C)C(F)(F)F)cc1Br 700638971 HBWNTWPPRHCIJX-SNVBAGLBSA-N 452.934 6.545 50 10 JKGE Fc1ccc(COc2c(Br)cc(Cl)cc2CBr)c(Br)c1 708111276 OTYWTYDRXZFGEY-UHFFFAOYSA-N 487.388 6.478 50 10 JKGE CCOc1ccc(Br)cc1[C@@H](Br)c1cn(CC)c(Br)n1 710753003 PBPXRJPOPMZFJL-CYBMUJFWSA-N 466.999 5.311 50 10 JKGE FC(F)c1cscc1[C@@H](Br)c1scc(C(F)(F)F)c1Br 717184090 CGGMGYVMYMMAGP-SSDOTTSWSA-N 456.093 7.013 50 10 JKGE O=C(CSc1nc2ccccc2o1)NN=Cc1ccc(OCc2cccc3ccccc23)cc1 725382266 NBQPFVKAAHHADT-UHFFFAOYSA-N 467.550 5.802 50 10 JKGE CC(C)(C)OC(=O)N1C[C@H](CI)[C@H](c2cc(C(F)(F)F)ccc2Cl)C1 725423230 IQSDSQFYPCUUQS-GXFFZTMASA-N 489.703 5.744 50 10 JKGE Cc1c(Br)c(C=NNC(=O)[C@@H](C)Sc2ccc(Cl)cc2)c(C)n1-c1ccccc1 1084337959 BWDZSYCUSFMJHY-MRXNPFEDSA-N 490.854 6.141 50 10 JKGE CC(=NNC(=O)CSCc1cc(C)cc(C)c1)c1ccc2c(c1)[C@@H]1C=CC[C@@H]1[C@H](c1ccccc1)N2 1084389984 JNIYAZRJIFKHGR-UFRMOSHKSA-N 495.692 6.904 50 10 JKGE Cc1ccc(COc2ccc(Br)cc2C=NNC(=O)CC[C@H](O)c2ccccc2)cc1 1084632391 XJXQSFOSYUWHHH-QHCPKHFHSA-N 481.390 5.300 50 10 JKGE CCCCCCOc1ccc(C=NNC(=O)CSc2nc(-c3ccccc3)cs2)cc1 1772755218 VABUVTLUHINNOL-UHFFFAOYSA-N 453.633 6.012 50 10 JKGE O=C(CSc1nc(-c2ccccc2)cs1)NN=Cc1ccccc1OCc1ccccc1 1772755260 XTXHWQYEFRDJHH-UHFFFAOYSA-N 459.596 5.632 50 10 JKGE N#CSc1ccc(NC(=O)Oc2cccc3c(NC(=O)c4cccc(C#N)c4)cccc23)cc1 1858779794 DUKCMGUIRBDHRX-UHFFFAOYSA-N 464.506 6.148 50 10 JKGE O=C(N/N=C\c1cc(Cl)cc(Br)c1O)c1ccc(-c2ccc3ccccc3c2)s1 1860774237 RTRNENVUPFANOS-ROTLSHHCSA-N 485.790 6.454 50 10 JKGE CCc1nn(-c2cccc3ccccc23)c2c1[C@@H](c1ccc(OCc3ccccc3)cc1)C(C#N)=C(N)O2 1865689955 HNLAUJQCSBBNJV-LJAQVGFWSA-N 498.586 6.385 50 10 JKGE N#CC1=C(N)Oc2c(c(-c3ccccc3)nn2Cc2ccc(Cl)c(Cl)c2)[C@H]1c1ccco1 1865697759 BAHAUUVMWTWKMW-HXUWFJFHSA-N 463.324 5.716 50 10 JKGE Cn1cc([C@H]2C(C#N)=C(N)Oc3c2c(C(F)(F)F)nn3Cc2cccc(Cl)c2)c2ccccc21 1865699017 IOKRJXYJAHKFDY-LJQANCHMSA-N 483.881 5.313 50 10 JKGE Cc1nc(-c2ccc(Cl)cc2Cl)ccc1C(=O)NNC(=O)CCCSc1ccccc1 1865759682 MRLCBBKHAOVGPP-UHFFFAOYSA-N 474.413 5.697 50 10 JKGE Cc1ccccc1-c1nc(Nc2ccc(SC#N)cc2)cc(N2CCC[C@@H](Oc3ccccc3)C2)n1 1868301343 OLXCJTIMJCAGRN-XMMPIXPASA-N 493.636 6.817 50 10 JKGE COCCN1[C@H](C)CN(c2cc(Nc3ccc(SC#N)cc3)nc(-c3ccccc3)n2)C[C@H]1C 1868365767 XBMKHZQSKFAHKO-WOJBJXKFSA-N 474.634 5.006 50 10 JKGE COc1cc(-c2csc(/C(C#N)=C(\O)c3cccc(Br)c3)n2)c(OC)cc1Cl 1872754864 MNXZLLQEAMZGHR-RGEXLXHISA-N 477.767 6.193 50 10 JKGE CCOc1ccc(OCC)c(-c2csc(/C(C#N)=C(\O)CCCOc3ccc(Cl)cc3)n2)c1 1872754979 SHILEZUOQWKQQO-LNVKXUELSA-N 485.005 6.913 50 10 JKGE COc1ccc(OC)c(-c2csc(/C(C#N)=C/c3cc(Br)c(O)c(OC)c3)n2)c1 1872791876 WQKDCXYETGPSMN-AWNIVKPZSA-N 473.348 5.368 50 10 JKGE FC1(F)CC[C@H](Br)[C@H](Cc2cc(Cl)ccc2I)CC1 1881844573 NSOSLSCQXFVBGD-CABZTGNLSA-N 463.531 6.076 50 10 JKGE ClCc1cc(Br)cc(Br)c1OCc1cc(Cl)sc1Cl 1883054090 VVCZUINDWITDFJ-UHFFFAOYSA-N 465.421 6.898 50 10 JKGE CN(C[C@@H](Br)COCc1ccccc1)C(=O)c1cc(Br)ccc1Cl 1916383070 BVYAYZBIAWWJRP-OAHLLOKOSA-N 475.608 5.155 50 10 JKGE Cc1c(Br)sc([C@@H](Br)CCC2CCCCC2)c1Br 1922946436 QXPPOMRAYKRIFN-NSHDSACASA-N 459.085 7.378 50 10 JKGE CCn1cc([C@@H](Br)[C@H](C)c2ccncc2Br)nc1Br 1924056775 NMGLFVVXFPXYAG-PELKAZGASA-N 451.988 5.063 50 10 JKGE Cc1cccc([C@@H](Cl)c2c(Br)sc(Br)c2Br)c1C 1924585856 REVXXZVMXHLIAS-LLVKDONJSA-N 473.455 6.981 50 10 JKGE COc1cc(Br)c([C@@H](Br)c2csnc2Br)cc1OC 1925257699 WUQMHRYZWOQTHE-LLVKDONJSA-N 471.996 5.170 50 10 JKGE Cc1csc(C(=O)N(Cc2ccccc2)[C@H](CBr)C(C)C)c1Br 1939884028 SRHGGNGRRIUEDD-OAHLLOKOSA-N 459.247 5.881 50 10 JKGE Cl[C@H](CC1C[C@@H]2C[C@H]2C1)c1c(Br)sc(Br)c1Br 1950081223 QWKIQLLUNWCXHI-BWZBUEFSSA-N 463.460 6.752 50 10 JKGE C[C@@H]1CCO[C@H]1C[C@H](Br)c1c(Br)sc(Br)c1Cl 1951104708 GOAQMNVWUGPQGN-VQVTYTSYSA-N 467.448 6.178 50 10 JKGE FC1(F)CC2(C[C@H]2[C@H](Br)c2sc(Br)cc2Br)C1 2015435819 QNANLPCYMXGBSK-XNCJUZBTSA-N 450.968 6.145 50 10 JKGE C[C@@H]1OCC[C@H]1C[C@@H](Br)c1c(Br)sc(Br)c1Cl 2019622033 GSNKQHSENOAACH-LYFYHCNISA-N 467.448 6.178 50 10 JKGE Cn1cc(Br)c([C@@H](Br)c2cc(C3CC3)c(Br)s2)n1 2033626041 HATWKQDKWCKAAC-JTQLQIEISA-N 455.013 5.368 50 10 JKGE Brc1ccccc1[C@H](Br)c1cc(C2CC2)c(Br)s1 2033642577 KIQXFKOJAFYKNV-ZDUSSCGKSA-N 451.021 6.635 50 10 JKGE Clc1cccc(Cl)c1C[C@H](Br)c1cc(Br)sc1Br 2042857194 KJPXAONQILAMBA-QMMMGPOBSA-N 493.873 7.259 50 10 JKGE C[C@]1(C(F)(F)F)C[C@@H]1[C@H](Br)c1cc(Br)ccc1Br 2043563332 XNQWXGPKNGRMFB-IEBDPFPHSA-N 450.918 6.236 50 10 JKGE C[C@@H](CCCCCI)NC(=O)c1ccccc1OCc1ccccc1 2054155011 NRVSALMFMXNGAH-KRWDZBQOSA-N 451.348 5.379 50 10 JKGE FC(F)(F)c1csc([C@@H](Br)c2cc(Br)sn2)c1Br 2056490716 MYUNFGMQVHZSFA-ZETCQYMHSA-N 485.970 6.233 50 10 JKGE Cc1cc(Cl)c(Br)cc1[C@H](Br)c1cc(Br)sc1C 2082390082 QATMESWATXCSIH-ZDUSSCGKSA-N 473.455 7.028 50 10 JKGE COc1cc(F)c([C@@H](Br)c2ncsc2Br)cc1Br 2082782631 UOJNGALFXYETAL-SECBINFHSA-N 459.960 5.300 50 10 JKGE COc1c(Cl)cc(Br)cc1[C@H](Br)c1cc(Br)sn1 2082859456 RDSIUYLYPFMZJQ-JTQLQIEISA-N 476.415 5.814 50 10 JKGE Cc1sc(Br)c([C@@H](Cl)c2cc(Br)cc(Br)c2)c1C 2082873183 ICHATNHSKJQZOC-LBPRGKRZSA-N 473.455 6.981 50 10 JKGE Cl[C@@H](c1ccc(I)c(Br)c1)c1cc2sccc2s1 2084768927 DNCBGRNOVVAOMK-ZDUSSCGKSA-N 469.594 6.658 50 10 JKGE BrC[C@@H](NCc1ccc(Br)cc1Br)C1CCCCC1 2092264903 FMWRKZJSGCEJHT-OAHLLOKOSA-N 454.044 5.645 50 10 JKGE Cc1cc([C@H](Br)c2cccc(Br)c2Br)c(C)cc1Cl 2092328577 MXBOOFKYDCETGH-CQSZACIVSA-N 467.426 6.966 50 10 JKGE COc1cc(C)c(Br)cc1[C@@H](Cl)c1csc(Br)c1Br 2093941877 DXOQSGSDPBUZPW-GFCCVEGCSA-N 489.454 6.681 50 10 JKGE O=S(=O)(c1cc(Br)cc(CCl)c1F)N(Cc1ccccc1)C1CCCC1 2095888639 KKZGJVJAVALHRY-UHFFFAOYSA-N 460.796 5.461 50 10 JKGE Fc1cc(Cl)c(Br)cc1[C@H](Br)c1cccc(Br)c1F 2097833311 BMTRZHOJMKVCHB-GFCCVEGCSA-N 475.352 6.628 50 10 JKGE Clc1c(Br)ccc(CBr)c1N1C[C@H]2CCN(Cc3ccccc3)C[C@H]2C1 2098118013 SGHPICZHLJIZCR-MSOLQXFVSA-N 498.690 5.956 50 10 JKGE COC1CC2(C1)CC([C@H](Br)c1cc(Br)ccc1Br)C2 2100340637 TXWVKWAMBSZONH-JEOOTGQLSA-N 453.012 5.853 50 10 JKGE CCCC(CBr)(CCC)CN=[S@](C)(=O)[C@H]1CCN(C(=O)OC(C)(C)C)C1 2106784857 LPZBRBOLFDTDPE-YHAMSUFESA-N 453.487 5.075 50 10 JKGE CN(C[C@H](Br)C1CCCC1)C(=O)c1csc(Br)c1Br 2111350538 GZYQHACPSNCALU-JTQLQIEISA-N 474.056 5.299 50 10 JKGE Cc1c(Br)sc([C@H](Br)C[C@H](C(F)F)C(C)(C)C)c1Br 2111372823 BRZYZNQNCBRYJU-HTQZYQBOSA-N 483.054 7.335 50 10 JKGE Cc1cc(Cl)c([C@@H](Cl)c2cc(Br)ccc2I)cc1Cl 2136693539 LVQHDLWRFWAYEN-CQSZACIVSA-N 490.393 6.997 50 10 JKGE Brc1ccc([C@@H](Br)c2csc3c2CCCC3)c(Br)c1 2138852542 ODVOCQZONRBSRN-OAHLLOKOSA-N 465.048 6.636 50 10 JKGE Cn1ncc(Br)c1CC(CBr)(CBr)c1cccc(Cl)c1 2143634222 LYOBFCDLSQDHDE-UHFFFAOYSA-N 485.445 5.106 50 10 JKGE O=C(c1csc(Br)c1Br)N1CC2(CCC2)CC[C@H]1CBr 2152050328 RGDGKUDZAQNEIU-VIFPVBQESA-N 486.067 5.443 50 10 JKGE Brc1cccc(Br)c1CN1CCC[C@@H]2CC[C@H](Br)C[C@H]21 2167024567 VQEFUYYVFVSNOJ-BFQNTYOBSA-N 466.055 5.740 50 10 JKGE O=C1Cc2cc([C@H](Br)c3cc(Br)c(Cl)s3)c(Cl)cc2N1 2172570604 YPTHRGIIMMZKFJ-LBPRGKRZSA-N 455.986 5.796 50 10 JKGE C[C@@H](CC(CBr)(CBr)c1cccc(Br)c1)OC(C)(C)C 2192208107 PXSQTYNPTFCFQC-LBPRGKRZSA-N 471.071 6.070 50 10 JKGE Cc1cc(Br)c(C)c([C@H](Br)[C@@H]2CC23CCCCC3)c1Br 2201069481 CXQNQSVKAFNYOR-BLLLJJGKSA-N 465.067 7.235 50 10 JKGE Cc1c(Br)ccc([C@@H](Br)c2csc3c2CCCC3)c1Br 2203686891 PTZBKDOMXXNIHV-MRXNPFEDSA-N 479.075 6.945 50 10 JKGE COc1cc(F)c(Cl)cc1[C@H](Cl)c1ccc(Br)cc1I 2207368883 PWUHJAGUIJYPMO-CQSZACIVSA-N 489.937 6.183 50 10 JKGE C[C@@H](COCc1ccccc1)n1c([C@@H](C)Cl)nc2cc(Br)c(Br)cc21 2218654811 JDRCEORSQDXWAT-QWHCGFSZSA-N 486.635 6.639 50 10 JKGE COc1ccsc1[C@@H](Br)c1c(Br)cc(Cl)c(Cl)c1Cl 2224302323 KOMDMPUADNTFDH-VIFPVBQESA-N 465.421 6.964 50 10 JKGE Cc1cc(Br)c([C@H](Br)c2cn(C)nc2Br)c(C)c1Cl 2224322296 ONVHGKWWXLYWNW-LLVKDONJSA-N 471.418 5.700 50 10 JKGE CCCCCCc1ccc([C@H](Br)c2sccc2I)s1 2225751463 WHSSRIMNENDNLL-AWEZNQCLSA-N 469.251 7.021 50 10 JKGE Clc1ccc(I)c(CN2CCC[C@@H](CCCBr)C2)c1 2225810196 BZGPABRDSPICMA-GFCCVEGCSA-N 456.593 5.332 50 10 JKGE Cc1cc(Br)c([C@H](Br)c2cnc(Cl)n2C)c(C)c1Br 2227359514 IUKKACGCRZRKAF-GFCCVEGCSA-N 471.418 5.700 50 10 JKGE Cc1cc(Br)c([C@@H](Br)c2c(Cl)cnn2C)c(C)c1Br 2227359731 LCOLJJPBVLWWSG-GFCCVEGCSA-N 471.418 5.700 50 10 JKGE Cc1c(F)ccc([C@@H](Br)c2cc(Br)cc(Br)c2)c1F 2231080146 RCJLUHKNJDVQLD-ZDUSSCGKSA-N 454.934 6.283 50 10 JKGE FC1(F)[C@H]([C@H](Br)c2c(Br)cc(Cl)c(Cl)c2Cl)C12CCC2 2232530942 WQJUTGSPYIEZMB-LDYMZIIASA-N 469.378 7.281 50 10 JKGE CCOCc1cc(Br)c([C@H](Br)c2ccc(F)c(Br)c2)s1 2233018779 FVTMXXRPHZDWMP-CYBMUJFWSA-N 487.026 6.433 50 10 JKGE Clc1ccc([C@@H](Cl)Cc2ncccc2Br)cc1I 2256330847 FBYQIADBSDICOC-NSHDSACASA-N 456.936 5.625 50 10 JKGE CCc1sc(Br)cc1[C@H](Cl)c1ccc(Cl)c(I)c1 2256337934 XUYGQBDUYJIKFA-CYBMUJFWSA-N 476.004 6.659 50 10 JKGE CN(Cc1cccc(I)c1)c1c(Cl)cccc1CBr 2265531928 DBEJIGDCXIQHMA-UHFFFAOYSA-N 450.545 5.476 50 10 JKGE Cc1c(F)ccc([C@@H](Br)c2ccc(Cl)c(I)c2)c1C 2268271107 YUGMCNZCZSOEGT-HNNXBMFYSA-N 453.520 6.185 50 10 JKGE Fc1cc(CBr)cc(F)c1Oc1cc(I)ccc1Cl 2272647693 RBZMPHDWUXNODY-UHFFFAOYSA-N 459.455 5.910 50 10 JKGE Cc1cc(Br)c([C@@H](Br)c2c(Br)c(C)nn2C)c(C)c1F 2279150611 ZLVHYCCPNXDIFU-GFCCVEGCSA-N 468.990 5.494 50 10 JKGE CC1CC(CBr)(COc2c(Br)cc([N+](=O)[O-])cc2Br)C1 2280044532 VEZODYKNYYLHGX-UHFFFAOYSA-N 471.971 5.310 50 10 JKGE BrCc1cc(Br)cc(Br)c1OC[C@@H]1COC2(CCC2)C1 2284837773 ZWGMNSDCNBJGMH-SNVBAGLBSA-N 469.011 5.445 50 10 JKGE N#CC(=Cc1ccccc1OC(=O)c1ccc(Cl)cc1Cl)C(=O)Nc1ccccc1C(=O)O 2293772184 NQUSJTFQWZMBLO-UHFFFAOYSA-N 481.291 5.456 50 10 JKGE Cc1ccc(COc2ccc(Br)cc2C=CC(=O)Oc2ccc([N+](=O)[O-])cc2)cc1 2294609582 FBOUYRQCUPXSKZ-UHFFFAOYSA-N 468.303 5.864 50 10 JKGE FC1(F)CCC[C@H]([C@@H](Br)Cc2cc(Br)cc(Br)c2)CC1 2295329963 OXNJJHAKVBTJGW-FZMZJTMJSA-N 475.009 6.733 50 10 JKGE Cc1ccc(CC[C@H](Br)Cc2cc(Br)cc(Br)c2)cc1 2295338330 VLLZGGSRRXUNTL-HNNXBMFYSA-N 461.035 6.459 50 10 JKGE Fc1cccc(Cl)c1C[C@@H](Br)c1cc2sc(Br)cc2s1 2295509945 SYCJZYZGARZZEH-MRVPVSSYSA-N 454.611 7.197 50 10 JKGE CCn1c(SCC(=O)NN=CC(Cl)=Cc2ccccc2)nnc1-c1ccc(C(C)(C)C)cc1 2296020924 DZVSCSOMXCELSB-UHFFFAOYSA-N 482.053 5.737 50 10 JKGE CCCCOc1ccc(C=C(C#N)C(=O)Nc2sc3c(c2C(=O)OCC)CCCC3)cc1OCC 2296720353 VVUYIPYAQGOMTP-UHFFFAOYSA-N 496.629 5.927 50 10 JKGE N#CC(=Cc1ccc(-c2cccc([N+](=O)[O-])c2)o1)C(=O)Nc1ccc([N+](=O)[O-])cc1C(F)(F)F 2297551349 CJWJMIRYVIWDDA-UHFFFAOYSA-N 472.335 5.327 50 10 JKGE C[C@@H]1CCC[C@H]([C@@H](Br)c2ccc(OCc3ccccc3)cc2Br)C1 2299501808 RGISINNLNWVCGG-LDBYXDLTSA-N 452.230 7.290 50 10 JKGE Brc1cc(OCc2ccccc2)ccc1[C@H](Br)C[C@@H]1C[C@H]1C1CC1 2299503256 DIYSUUPTYUGRMX-FFZOFVMBSA-N 450.214 6.900 50 10 JKGE COCC1([C@H](Br)c2cc(Br)ccc2OCc2ccccc2)CCC1 2299532470 HGWKHOYSKVVNJR-LJQANCHMSA-N 454.202 6.281 50 10 JKGE Cc1c(Cl)sc(Cl)c1[C@H](Br)c1cc(Br)c(Cl)s1 2299551130 VVZRSTRIBTUJFV-SSDOTTSWSA-N 455.451 7.325 50 10 JKGE Cc1sc([C@@H](Cl)c2sc(Cl)cc2I)c(C)c1Br 2300953674 MVLMLIMSSSVBEB-SECBINFHSA-N 482.033 6.775 50 10 JKGE Cc1ccc(COc2ccc(Cl)cc2C=C(C#N)C(=O)Nc2cccc(Cl)c2C)cc1 2313681121 KQRZRQHDCCLOAR-UHFFFAOYSA-N 451.353 6.735 50 10 JKGE C[C@@H]1CCC[C@@H]([C@H](Br)c2cc(Br)ccc2OCc2ccccc2)CC1 2314455009 KXROTXYDKXYWKP-CDMIOBSGSA-N 466.257 7.681 50 10 JKGE CCc1ccc(N2C(=O)[C@H](Cc3cccc(Cl)c3)SC2=C(C#N)C(=O)NCc2ccco2)cc1 2314593086 HJJPJSQGAROEOB-QHCPKHFHSA-N 492.000 5.238 50 10 JKGE COc1cc(C=C(C#N)c2ccc(Cl)cc2)ccc1OC(=O)COc1cc(C)cc(C)c1C 2314736638 QUCXMAGVDFDHJO-UHFFFAOYSA-N 461.945 6.322 50 10 JKGE COCc1ccc([C@@H](Br)c2ccc(OCc3ccccc3)cc2Br)s1 2319409828 YJUVFOBGJPUSDJ-FQEVSTJZSA-N 482.237 6.720 50 10 JKGE Cc1scc([C@@H](Br)c2cc(Cl)c(Br)cc2F)c1Br 2320480890 LUAWQYKWMRUQPC-LBPRGKRZSA-N 477.418 6.858 50 10 JKGE CCCCCCCCCOc1ccc(C=NNC(=O)Cc2ccc(OC)cc2)cc1OCC 2323332005 KDSSXIAKJVWRLH-UHFFFAOYSA-N 454.611 5.916 50 10 JKGE CC1(C)C[C@H](Br)[C@H](Cc2ccc(I)c(Br)c2)CO1 2325176507 XPNZZMXPSVQNSD-PWSUYJOCSA-N 488.001 5.175 50 10 JKGE COc1ccc(Br)cc1C=C1Oc2cc(OCc3ccc(CCl)cc3)cc(C)c2C1=O 2325339755 CVOOHKKJIAFFTO-UHFFFAOYSA-N 499.788 6.700 50 10 JKGE Cc1cc(I)c(OC[C@@]2(CBr)CC2(F)F)cc1Cl 2326818452 WBLZEZQIYPVHHC-NSHDSACASA-N 451.476 5.052 50 10 JKGE COC(=O)c1c(NC(=O)C(C#N)=Cc2cccc(Cl)c2)sc(C)c1-c1ccc(C)cc1 2329687356 YPWINRFZVSALDD-UHFFFAOYSA-N 450.947 6.018 50 10 JKGE CCCCCCCCCOc1ccc(C=C(C#N)c2ccc(C(=O)OC)o2)cc1Br 2331048513 RRTZOKNOYFZRFN-UHFFFAOYSA-N 474.395 7.022 50 10 JKGE CC[C@H](C)[C@H](C(O)=C(C#N)c1nc(-c2cccc3ccccc23)cs1)N1C(=O)c2ccccc2C1=O 2331340016 NVXLYBGGRCTQJD-SSOJOUAXSA-N 493.588 6.467 50 10 JKGE CCOc1c(Br)cc(C=C(C#N)c2nc(-c3cccc([N+](=O)[O-])c3)cs2)cc1OC 2331414620 UKLOGBQAVBDQSV-UHFFFAOYSA-N 486.347 5.952 50 10 JKGE Cc1c(Cl)sc(Cl)c1[C@@H](Br)Cc1ccc(Br)cc1Cl 2336088999 LRGKZAFGAWXQMM-VIFPVBQESA-N 463.449 7.458 50 10 JKGE CC1(C)COC[C@@H]1[C@H](Br)c1c(F)cc(Br)c(F)c1Br 2336199254 AZDPUCVMKCZAML-LDWIPMOCSA-N 462.954 5.598 50 10 JKGE Fc1c(Br)cc(Cl)cc1C[C@@H](Br)c1cccc(Br)c1 2337155597 WESLNVXRHSLCKG-GFCCVEGCSA-N 471.389 6.683 50 10 JKGE Cc1cc(CBr)ccc1OCc1ccc(Cl)cc1I 2340109258 CUQUBZGGTMEFIG-UHFFFAOYSA-N 451.529 5.727 50 10 JKGE Cc1c(OCc2ccc(Cl)cc2I)ccnc1CBr 2340112949 QPWNEYMPXNDEBZ-UHFFFAOYSA-N 452.517 5.122 50 10 JKGE CCc1nnsc1CC(CBr)(CBr)c1ccccc1Br 2361022284 MCBGAXXPMUFPBP-UHFFFAOYSA-N 483.067 5.133 50 10 JKGE Fc1c(Br)cc(Cl)c([C@@H](Cl)c2ccc(Cl)cc2Cl)c1Br 2362235921 AVENRUQPPITWQF-LBPRGKRZSA-N 481.801 7.639 50 10 JKGE COc1c(Br)cc(C)c([C@@H](Br)[C@@H]2C(C)(C)C2(F)F)c1Br 2365236023 NAZYWSHOTDSPBP-ZYHUDNBSSA-N 476.981 6.256 50 10 JKGE Fc1c(Br)cc(Cl)c([C@H](Br)C[C@@H]2CC[C@H]2C2CC2)c1Br 2367954289 YSMNONHUOLCLCJ-LPEHRKFASA-N 489.448 7.266 50 10 JKGE Clc1ccc(I)cc1CN1[C@H](CBr)C[C@H]2CCCC[C@@H]21 2380513132 RIRFWYUZEAARKE-WPGHFRTFSA-N 468.604 5.473 50 10 JKGE COc1cc(/C=C(/C#N)c2nc3ncc(Br)cc3[nH]2)ccc1OCc1ccccc1 6289372 QIYAFYYFQFDYMQ-MFOYZWKCSA-N 461.319 5.372 50 10 JKGE CCCCCCOc1ccccc1C(=O)NC(=S)NNC(=O)c1ccc(OCCC(C)C)cc1 14033106 SBOGQZZUNOCLGR-UHFFFAOYSA-N 485.650 5.020 50 10 JKGE COc1cc(/C=C(/C#N)c2ccccc2)ccc1OC(=O)c1cc(C(F)(F)F)cc(C(F)(F)F)c1 31901876 AQSGTKZABNFYFL-NVMNQCDNSA-N 491.387 7.016 50 10 JKGE COc1ccc(-c2nn(-c3ccccc3)cc2/C=C(\C#N)c2nc(-c3ccc(C)cc3)cs2)cc1 35516345 MUAMJPAVRMUHDN-XQNSMLJCSA-N 474.589 7.044 50 10 JKGE Cc1cc(Cl)ccc1OCC(=O)Oc1ccc2c(c1)OC(N)=C(C#N)[C@@H]2c1ccccc1Cl 38651075 QBUQIUPAKQVVCZ-XMMPIXPASA-N 481.335 5.504 50 10 JKGE N#CC1=C(N)Oc2cc(OC(=O)c3ccc(F)cc3)ccc2[C@@H]1c1cccc(Br)c1 38651460 VQEWEAQOPFURMG-NRFANRHFSA-N 465.278 5.026 50 10 JKGE CCc1ccc(O[C@H](C)C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@H]3c2cccc3ccccc23)cc1 38657926 CJOMFMIUWABMRW-XBBWARJSSA-N 490.559 5.993 50 10 JKGE CSc1ccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4cc([N+](=O)[O-])ccc4Cl)ccc32)cc1 38682631 UBTSHLQPFNFWCA-JOCHJYFZSA-N 493.928 5.407 50 10 JKGE Cc1ccc2oc(C(=O)Oc3ccc4c(c3)OC(N)=C(C#N)[C@H]4c3cccc(Cl)c3)c(C)c2c1 38687741 XUTLQHOUTHMLED-DEOSSOPVSA-N 470.912 6.140 50 10 JKGE Cc1ccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4oc5cc(C)c(C)cc5c4C)ccc32)o1 38688676 ZLFOURWPHOVULK-DEOSSOPVSA-N 454.482 5.697 50 10 JKGE Cc1c(C(=O)Nc2ccc(Cl)cn2)oc2c1/C(=N/NC(=O)c1cccc3ccccc13)CCC2 40813592 OHQIZGHQOSQXFW-TWKHWXDSSA-N 472.932 5.512 50 10 JKGE Cc1c(C(=O)Nc2ccc3c(c2)OCCO3)oc2c1/C(=N/NC(=O)c1cccc3ccccc13)CCC2 40813638 JAFSTMHQSLXKTE-DFKUXCBWSA-N 495.535 5.235 50 10 JKGE COc1cccc(C(=O)N/N=C2\CCCc3oc(C(=O)Oc4cccc5ccc(C)nc45)c(C)c32)c1 40822433 DFOCORRLXALQNB-MWAVMZGNSA-N 483.524 5.143 50 10 JKGE C=CCc1cc(/C=N/NC(=O)c2cc3ccccc3o2)cc(OCC)c1OCc1cccc(C)c1 59679888 PWVNTNLJDOPUNR-UXHLAJHPSA-N 468.553 6.211 50 10 JKGE Cc1ccc(Cl)cc1NC(=O)/C(C#N)=C\c1cc(C)n(-c2ccccc2Br)c1C 96476339 ZSFLLYKHZSPZQS-WQRHYEAKSA-N 468.782 6.364 50 10 JKGE COc1ccc([C@H](C(=O)NC2CCCCCC2)N(CCC2=CCCCC2)C(=O)CCl)cc1OC 97914923 BGRGKICMXMQOQY-AREMUKBSSA-N 491.072 5.542 50 10 JKGE Cc1ccc(N2C(=O)[C@H](Cc3ccccc3)S/C2=C(/C#N)C(=O)NCc2ccccc2)cc1C 101241296 NDLKDFDOOZUKFT-UZEPBSNMSA-N 467.594 5.046 50 10 JKGE CCCOc1ccc(-c2nn(-c3ccccc3)cc2/C=C(/C#N)C(=O)Nc2ccc(OCC)cc2)cc1 102858402 FUDVOCKSPJALHW-NMWGTECJSA-N 492.579 6.272 50 10 JKGE Cc1cccc(C(CBr)(CBr)Cc2ccc(F)c(Br)c2)c1 118877471 YVVVGHLGGGMAQW-UHFFFAOYSA-N 479.025 6.167 50 10 JKGE Clc1ccc([C@@H](Br)c2cc(Br)c(Br)s2)c2ccccc12 128570433 NRUZILMYGQBAHB-CQSZACIVSA-N 495.461 7.564 50 10 JKGE Cc1ccc([C@H](C(=O)N[C@@H]2CCC[C@@H](C)[C@@H]2C)N(CCc2ccccc2)C(=O)CCl)cc1 169692644 CKZDQHONUCYXNB-XVOWXPBNSA-N 455.042 5.287 50 10 JKGE C=CCOc1cccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)/C=C\c4ccccc4)ccc32)c1 205658922 JZIGIUPIPGUONM-IRWNJFDWSA-N 450.494 5.088 50 10 JKGE N#C/C(=C/c1ccc(OCc2ccccc2F)cc1)C(=O)Nc1sc2c(c1C#N)CCCC2 209660202 VGAWSNWEYPNLHA-UYRXBGFRSA-N 457.530 5.762 50 10 JKGE Clc1cc([C@H](Br)Cc2ccccc2Cl)ccc1I 232386311 AHGYZXCLNGRTHY-LLVKDONJSA-N 455.948 6.277 50 10 JKGE COc1ccccc1C[C@H](Br)c1ccc(I)c(Cl)c1 232386355 MJJGJMWGDMTDCI-LBPRGKRZSA-N 451.529 5.632 50 10 JKGE CN(Cc1cc(Br)cs1)c1ccc(Br)cc1CBr 234293540 BLBIQVVLPCPOCK-UHFFFAOYSA-N 454.025 5.804 50 10 JKGE Clc1ccc(I)c([C@H](Br)Cc2ccc(Cl)c(Cl)c2)c1 236069266 PGOQWPBDPKOFCP-LLVKDONJSA-N 490.393 6.930 50 10 JKGE C=CCOc1ccc(C(=O)NN=Cc2ccc(OC(=O)c3cccc4ccccc34)cc2)cc1 254309461 NFHLTCKPYHZMEX-UHFFFAOYSA-N 450.494 5.388 50 10 JKGE Cc1ccc(C=NNC(=O)CSc2nnc(SCc3cccc4ccccc34)s2)cc1 254405297 SUKBUGPJXGJNAM-UHFFFAOYSA-N 464.641 5.534 50 10 JKGE C=CCc1ccccc1OCC(=O)NN=Cc1c(OC(=O)c2ccccc2)ccc2ccccc12 254759500 TUOCYUDUEFUNEA-UHFFFAOYSA-N 464.521 5.317 50 10 JKGE Cc1ccc(OCC(=O)NN=Cc2c(OC(=O)c3ccc(C)cc3)ccc3ccccc23)cc1 254868766 CODBYVUVKNVIBY-UHFFFAOYSA-N 452.510 5.205 50 10 JKGE FC1(F)CC[C@@H](CC(CBr)(CBr)c2ccc(Br)cc2)C1 312136832 QSXIWJLLMSYGAP-NSHDSACASA-N 475.009 6.302 50 10 JKGE ClCc1nc2c(Cl)cccc2n1-c1ccc(I)c(Br)c1 312564471 KRZWWRIFFGKVKS-UHFFFAOYSA-N 481.946 5.785 50 10 JKGE Cc1ccc(C[C@@H](CBr)Cc2cccc(Br)c2)cc1Br 313699295 SIZWCKOYSCSGHT-HNNXBMFYSA-N 461.035 6.316 50 10 JKGE ClCc1cc(Br)cc(Br)c1OCc1cccc(Br)c1 381980499 IGNODCOBEHQWOQ-UHFFFAOYSA-N 469.398 6.292 50 10 JKGE C[C@@H]1CCC[C@@H](CC(CBr)(CBr)c2cccc(Br)c2)C1 383793811 XDIFKOQYMLGQPP-ZIAGYGMSSA-N 467.083 6.693 50 10 JKGE C[C@H](Br)C[C@H]1CCCCN1Cc1cc(Cl)ccc1I 405314969 WITLSEUKANSJJC-SMDDNHRTSA-N 456.593 5.473 50 10 JKGE CC(C)(C)OC(=O)NCCN1CCCOC[C@@H]1c1cccc(CO[Si](C)(C)C(C)(C)C)c1 616597697 QKAVRMPMHWCCPV-JOCHJYFZSA-N 464.723 5.497 50 10 JKGE C[C@@]12CN(Cc3ccccc3)C[C@]1(C)CN(c1ccc(Br)cc1CBr)C2 705955867 RARZUPPQWICYFM-SZPZYZBQSA-N 478.272 5.692 50 10 JKGE CN(Cc1ccccc1)CC1CCN(c2ccc(Br)cc2CBr)CC1 717579861 NMNIDNXLZBTOHV-UHFFFAOYSA-N 466.261 5.692 50 10 JKGE O=C(NN=Cc1cc(Cl)c(OCc2cccc(F)c2)c(Cl)c1)c1cc2ccccc2o1 1083973324 NZWZKVVCGCQFFQ-UHFFFAOYSA-N 457.288 6.222 50 10 JKGE O=C(NN=C(CSc1nc2ccccc2o1)c1cccc(Br)c1)c1ccccc1O 1084100428 CJRLVVCALLZVFV-UHFFFAOYSA-N 482.359 5.222 50 10 JKGE N#C/C(=C/c1ccc(OCc2cccc(Cl)c2)cc1)C(=O)Nc1cccc(Cl)c1Cl 1084606955 MTGJITGMVURDHC-BOPFTXTBSA-N 457.744 6.771 50 10 JKGE CC(C)(C)OC(=O)N1C[C@H](c2cc(C(F)(F)F)cc(C(F)(F)F)c2)[C@@H](CBr)C1 1614612973 CAHQDACVRMPZQQ-SMDDNHRTSA-N 476.255 6.070 50 10 JKGE CCCCCN1C(=O)C(=NNC(=O)CCCOc2ccc(Cl)cc2Cl)c2cc(C)ccc21 1772720648 QREYYULPIWAEBZ-UHFFFAOYSA-N 476.404 5.518 50 10 JKGE Cc1ccccc1NC(=O)c1oc2c(c1C)C(=NNC(=O)C(c1ccccc1)c1ccccc1)CCC2 1772749111 QICXFNHGEDOFHD-UHFFFAOYSA-N 491.591 6.137 50 10 JKGE CCCc1ccc(OCC(=O)NN=Cc2ccc(OCc3ccccc3)cc2)c(Br)c1 1772756309 SXGVPQIANVKSPT-UHFFFAOYSA-N 481.390 5.510 50 10 JKGE CCCc1ccc(OCC(=O)NN=Cc2cc(Br)ccc2OCC)c(Br)c1 1772756315 TYFQSBACSMRRSK-UHFFFAOYSA-N 498.215 5.092 50 10 JKGE CCCOc1ccccc1[C@H]1C(C#N)=C(N)Oc2c1c(-c1ccccc1)nn2-c1cccc2ccccc12 1865702767 DXKRGHSVQIXWSA-NDEPHWFRSA-N 498.586 6.699 50 10 JKGE Cc1ccc(Cn2nc(-c3ccccc3)c3c2OC(N)=C(C#N)[C@H]3c2cccc([N+](=O)[O-])c2)cc1 1865705670 BOPVDZYJLOYWPD-HSZRJFAPSA-N 463.497 5.033 50 10 JKGE CCCc1nn(-c2ccc(Cl)cc2)c2c1[C@H](c1ccc(C(F)(F)F)cc1)C(C#N)=C(N)O2 1865710659 DMWVMROMJIOZRF-LJQANCHMSA-N 458.871 5.715 50 10 JKGE COC(=O)c1c(NC(=O)/C(C#N)=C/c2cccc(Cl)c2)sc(C)c1-c1ccc(C)cc1 1866130063 YPWINRFZVSALDD-WOJGMQOQSA-N 450.947 6.018 50 10 JKGE CCc1ccc([C@H]2CN(c3cc(Nc4ccc(SC#N)cc4)nc(-c4cccnc4)n3)CCO2)cc1 1868565489 LNMCEGBNLQPFQZ-RUZDIDTESA-N 494.624 5.996 50 10 JKGE COc1ccccc1-c1csc(/C(C#N)=C(\O)[C@@H](CC(C)C)N2C(=O)c3ccccc3C2=O)n1 1872746926 GCFICAIDIMPXNY-GKYQZKGUSA-N 473.554 5.322 50 10 JKGE Cc1cc(C)c(C)c(-c2csc(/C(C#N)=C(\O)CCCOc3ccc4ccccc4c3)n2)c1C 1872754562 YTZFCIZMJYUSHC-RFBIWTDZSA-N 468.622 7.849 50 10 JKGE Cc1ccc(C(C)(C)C)cc1-c1csc(/C(C#N)=C(\O)[C@H]2CC(=O)N([C@@H](C)c3ccccc3)C2)n1 1872755912 LPROOTFOEZQQEM-IWUXDGJFSA-N 485.653 6.818 50 10 JKGE COc1cc(OC)c(-c2csc(/C(C#N)=C(\O)C(c3ccccc3)c3ccccc3)n2)cc1Cl 1872756057 BUAJNQUAXVOKHD-QOMWVZHYSA-N 488.996 7.105 50 10 JKGE COc1cc(/C=C(\C#N)c2nc(-c3ccc4ccccc4c3)cs2)ccc1OCc1ccc(C)cc1 1872782908 WTERMRYXDKDUHL-JFLMPSFJSA-N 488.612 7.924 50 10 JKGE CCN(Cc1ccccc1)c1ccc(/C=C(\C#N)c2nc(-c3ccc4ccccc4c3)cs2)cc1 1872782992 ZWVKMUIIFBQWDY-MTDXEUNCSA-N 471.629 8.054 50 10 JKGE CCCOc1ccc(-c2csc(/C(C#N)=C/c3ccccc3OCc3ccc(Cl)cc3)n2)cc1 1872791059 UJOIJTKCJIGQJI-XQNSMLJCSA-N 487.024 7.895 50 10 JKGE COc1ccc(-c2csc(/C(C#N)=C/c3ccc(OCc4ccccc4C)cc3)n2)c(OC)c1 1872793904 ZUAMEZFEXVCZEA-HYARGMPZSA-N 468.578 6.779 50 10 JKGE C=CCC(CBr)(CBr)Cc1sc(Cl)cc1Br 1903673132 IGGKMEVEFXYFDF-UHFFFAOYSA-N 451.449 6.059 50 10 JKGE O=S(=O)(c1cc(Cl)c(Br)s1)N(Cc1ccccc1)[C@@H](CCl)C1CC1 1915143294 MOCATGAOZRPSPT-AWEZNQCLSA-N 469.253 5.372 50 10 JKGE CC(C)(CBr)N(Cc1ccccc1)C(=O)c1cc(Cl)cc(Br)c1 1915753512 GQMCDYXRHORAME-UHFFFAOYSA-N 459.609 5.918 50 10 JKGE C[C@@H]1O[C@H](C)[C@H]([C@@H](Br)c2c(Br)sc(Br)c2Cl)[C@H]1C 1923038743 KNPHLHHICLQSIL-AJDRIWCOSA-N 481.475 6.422 50 10 JKGE Cc1cccc([C@@H](Br)c2c(Cl)sc(Br)c2Cl)c1Br 1925586931 FCRGGSWCFJKBSR-SECBINFHSA-N 493.873 7.373 50 10 JKGE Cc1ccnc(CC(CBr)(CBr)c2ccccc2)c1Br 1926844166 UHIUXYJKRQNZAL-UHFFFAOYSA-N 462.023 5.423 50 10 JKGE CC(C)[C@H](CBr)N(Cc1ccccc1)C(=O)c1c(Cl)cccc1Br 2003557511 GSOBTAFUXXRIHV-KRWDZBQOSA-N 473.636 6.164 50 10 JKGE Clc1c(Br)sc(Br)c1[C@H](Br)C[C@]12CCC[C@H]1C2 2010968387 NWLWQAZFRJDMGR-QRPMWFLTSA-N 463.460 6.943 50 10 JKGE CC[C@H](C)[C@H](CI)NCc1cc(Br)ccc1Br 2023044199 OTDRNDUDLHWWEX-ZANVPECISA-N 475.006 5.151 50 10 JKGE FC1(F)[C@H]2C[C@@H]([C@@H](Br)c3cc(Br)c(Br)s3)CC[C@H]21 2030333349 LYUUQMLQMPELOP-HEZDBXPZSA-N 464.995 6.391 50 10 JKGE COc1cc(Br)ccc1[C@H](Br)c1sc(Cl)cc1Br 2036940295 ZSPUVZQEYFEQFV-NSHDSACASA-N 475.427 6.419 50 10 JKGE Oc1c(Cn2nc(CCl)c(I)c2C(F)(F)F)cccc1C(F)(F)F 2079211447 RUIAVAJIFPNNBX-UHFFFAOYSA-N 484.565 5.018 50 10 JKGE CC(C)(C)[S@](=O)N[C@@H](c1ccccc1)c1ccccc1P(c1ccccc1)c1ccccc1 2080751569 RTEPAEFPZJXJEI-UVMMSNCQSA-N 471.606 5.586 50 10 JKGE Fc1ccc(F)c([C@@H](Br)c2ccc(Br)cc2I)c1 2086150117 WVHDPYHFKLQHMF-ZDUSSCGKSA-N 487.907 5.816 50 10 JKGE FC1(F)CN(Cc2ccccc2)CCCN(c2cccc(Br)c2CBr)C1 2096468428 QMXWCIITZKAWBM-UHFFFAOYSA-N 488.214 5.692 50 10 JKGE C[C@H](Br)C12CCC(CC1)N2Cc1c(Br)cccc1Br 2097057678 SEVTZYOYFJPNPS-NLTNOIMHSA-N 452.028 5.492 50 10 JKGE C[C@@H](COCc1ccccc1)Cn1c(CCCl)nc2cc(Br)c(Cl)cc21 2103635475 BJRUELRRFWCFCC-CQSZACIVSA-N 456.211 6.086 50 10 JKGE Cc1cc(F)c([C@@H](Br)c2cc(I)ccc2F)cc1Cl 2113351683 RXMDEAQADXQLKS-AWEZNQCLSA-N 457.483 6.016 50 10 JKGE Cl[C@H](Cc1ccccc1I)c1csc2c(Br)cccc12 2143869297 XPJJRCHNNFJSHJ-CQSZACIVSA-N 477.592 6.791 50 10 JKGE C[C@@H](CCn1c([C@@H](C)Cl)nc2cc(Br)c(Cl)cc21)N(C)Cc1ccccc1 2160079798 SBRVVEIUCUDUSR-LSDHHAIUSA-N 469.254 6.663 50 10 JKGE CC(C)(C)[C@]1(CBr)CCN(Cc2cc(Cl)ccc2I)C1 2160931881 NJFOXOWIEZEBLE-INIZCTEOSA-N 470.620 5.578 50 10 JKGE CC(C)(C)OC(=O)NC[C@@H]1CN(C[C@H](CBr)C(C)(C)C)CC[C@H]1C(F)(F)F 2163059554 UNNKDGWPAAYAND-QLFBSQMISA-N 459.391 5.069 50 10 JKGE CCCc1ncc(COc2c(Br)cc(CBr)cc2Br)s1 2172971284 PNPCDACTIOAZFA-UHFFFAOYSA-N 484.051 6.095 50 10 JKGE Clc1ccccc1C[C@H](CBr)Cc1cc(Br)ccc1Br 2175147281 MNVFPTBGBFHRCU-NSHDSACASA-N 481.453 6.661 50 10 JKGE CN(C[C@@H](Br)COCc1ccccc1)C(=O)c1ccc(C(F)(F)F)cc1Cl 2179257772 XDJGEXMEGBXPPE-OAHLLOKOSA-N 464.709 5.411 50 10 JKGE Cc1cc(S(=O)(=O)N(Cc2ccccc2)C2CCCCC2)cc(CBr)c1F 2179862373 VMIRJJFIXZKEIU-UHFFFAOYSA-N 454.405 5.553 50 10 JKGE FC(F)(C1CCCC1)[C@@H](Br)c1cc(I)cc2c1OCC2 2185258310 WQBFYFJFNDAYPA-AWEZNQCLSA-N 457.096 5.488 50 10 JKGE Cc1cc(Br)c(C)c([C@@H](Br)[C@H]2Cc3ccccc32)c1Br 2201070891 DCMTWOTXLNPMLO-GUYCJALGSA-N 459.019 6.604 50 10 JKGE CC[C@@H]1CC[C@@H](CC(CBr)(CBr)c2ccccc2Br)O1 2201413900 SDHPOTBYLMZIDU-OLZOCXBDSA-N 469.055 5.824 50 10 JKGE Fc1cc(Br)c([C@H](Cl)c2ccc(Br)cc2Cl)c(F)c1Cl 2201611960 VUBZXVYWDJQOMV-LLVKDONJSA-N 465.346 7.125 50 10 JKGE COc1c(Cl)cc(Br)cc1[C@@H](Cl)c1ccc(Br)cc1Cl 2202999107 POXKZMCVSQWAPE-ZDUSSCGKSA-N 459.392 6.855 50 10 JKGE CC(C)(C)[C@@H]1CC[C@H](Br)[C@H](Cc2ccc(I)c(Cl)c2)C1 2208044426 MPHMOMHVSJQIMO-MCIONIFRSA-N 469.632 6.713 50 10 JKGE Cc1c(Br)sc([C@@H](Br)c2nn(C)c(Cl)c2Br)c1C 2218785810 TVRZQMAWXDGFMK-LURJTMIESA-N 477.447 5.761 50 10 JKGE Clc1c(Br)sc(Br)c1[C@@H](Br)[C@H]1C[C@H]2CCC[C@H](C2)C1 2225322070 PZDFIUQEJMAKED-DKIAZLNASA-N 491.514 7.579 50 10 JKGE Clc1cc(CN2CCC[C@@H](CCCBr)C2)ccc1I 2225806637 QUXMAIVDORLTQE-GFCCVEGCSA-N 456.593 5.332 50 10 JKGE Cc1cc(Br)c([C@@H](Cl)c2c(Br)cc(Cl)c(Cl)c2Cl)s1 2229317128 DXZUQAZNOVRIKD-NSHDSACASA-N 483.867 7.870 50 10 JKGE BrCc1cc(Br)c(OC[C@@H]2OC[C@@H]3CCC[C@H]32)c(Br)c1 2233362308 UBWMTWMZYSTFLP-WDMOLILDSA-N 469.011 5.300 50 10 JKGE Fc1cc(Br)c(Br)cc1[C@H](Br)[C@@]12CCCC[C@@H]1CCC2 2233973814 BPQOHFHELJUDOA-HPEXNQPKSA-N 469.030 7.147 50 10 JKGE COc1cc(Cl)c([C@H](Cl)c2sc(C)c(Br)c2C)cc1Br 2234464139 LGKHPAGNGQGOIS-ZDUSSCGKSA-N 459.030 6.880 50 10 JKGE Cc1ccc(F)cc1[C@H](Br)c1c(Br)cc(C)c(Br)c1C 2235605454 RWILQDYDBJDRCI-INIZCTEOSA-N 464.998 6.760 50 10 JKGE Cc1cc(Br)c([C@@H](Br)CC(F)(F)C(F)(F)F)c(C)c1Br 2235609023 AQXIPJBHXQBZFB-QMMMGPOBSA-N 488.914 6.852 50 10 JKGE Fc1c(Br)cccc1[C@H](Br)c1ccc2c(c1Br)CCO2 2238082668 QKOJWQJIHURRHZ-CQSZACIVSA-N 464.954 5.770 50 10 JKGE Cc1cc(Cl)c(Cl)cc1[C@H](Br)c1cnn(C)c1I 2253423105 XLJVBKJMKJJRPK-NSHDSACASA-N 459.940 5.124 50 10 JKGE Cn1ncc(Br)c1[C@H](Cl)Cc1cc(Br)cc(Br)c1 2263527244 VBHUJQVXQOJOLB-LLVKDONJSA-N 457.391 5.230 50 10 JKGE Cc1cc(Br)c([C@H](Br)c2cc(Br)c(C)s2)c(C)c1F 2264474963 YOBGLWKMTZHVIP-CYBMUJFWSA-N 471.027 6.822 50 10 JKGE COc1ccc([C@H](Br)c2cc(F)ccc2Cl)cc1I 2269550307 YSPRXJJHDSFMNW-AWEZNQCLSA-N 455.492 5.577 50 10 JKGE CC[C@]1([C@H](Br)c2c(F)cc(Br)c(F)c2Br)CCCO1 2272747872 OXJVTCJLKKZWDU-CHWSQXEVSA-N 462.954 5.885 50 10 JKGE CC(C)[C@@H]1CCC[C@H]1[C@@H](Br)Cc1cc(Br)cc(Br)c1 2277947391 HPFNRMGVTBCRQL-XHSDSOJGSA-N 453.056 6.590 50 10 JKGE Brc1cc(Br)cc(C[C@H](Br)CC23CCC(CC2)C3)c1 2277964832 ICMDQPYYRATSTO-AJQRCPHMSA-N 451.040 6.488 50 10 JKGE Cc1cc(Br)c([C@@H](Cl)c2cccc(C)c2I)c(C)c1F 2279142671 VCIHWXHVFDQDPL-AWEZNQCLSA-N 467.547 6.446 50 10 JKGE COc1cc([N+](=O)[O-])ccc1NC(=O)C(C#N)=Cc1ccc(OCc2ccccc2Cl)cc1 2295459604 FGXVNWBTDRRLFJ-UHFFFAOYSA-N 463.877 5.381 50 10 JKGE C=CCOc1ccc(-c2nn(-c3ccccc3)cc2C=C(C#N)c2nc3ccccc3s2)cc1C 2296729488 QXLUPNPHLLDGCY-UHFFFAOYSA-N 474.589 7.086 50 10 JKGE CCCCOc1c(Cl)cc(C(=O)Nc2sc(C(C)=CC#N)c(C)c2C(=O)OC)cc1Cl 2296854738 HBMVFMOFOFYSOE-UHFFFAOYSA-N 481.401 6.508 50 10 JKGE N#CC(=Cc1ccc(-c2ccc(Br)cc2)o1)C(=O)Nc1ccc(Cl)cc1[N+](=O)[O-] 2297551642 WOYJHKHOUNMEAD-UHFFFAOYSA-N 472.682 5.816 50 10 JKGE Fc1cc(Cl)c(Br)c(Cl)c1[C@H](Br)[C@H]1C[C@H](Br)C1 2298983868 DZRFULFTIGVGDP-UDJQAZALSA-N 469.801 6.505 50 10 JKGE CCCc1sc(Br)cc1[C@@H](Br)c1ccc(Br)s1 2300647148 VNISDDURYKAIGU-GFCCVEGCSA-N 459.066 6.771 50 10 JKGE CCCc1sc(Br)cc1[C@@H](Br)c1sncc1Br 2300649087 QDIOJDRGZSPSEH-SNVBAGLBSA-N 460.054 6.166 50 10 JKGE N#CC(=Cc1cc(Br)c(Sc2ccc(Cl)cc2)o1)C(=O)Nc1cccc(Cl)c1 2313562221 JNFZECHMYDWTDY-UHFFFAOYSA-N 494.197 7.046 50 10 JKGE CC1(C)CCC[C@H]([C@H](Br)c2cc(Br)ccc2OCc2ccccc2)O1 2314445378 OSSQYYKZUQFCLK-WOJBJXKFSA-N 468.229 6.812 50 10 JKGE CC(C)(C)C1([C@@H](Br)c2cc(Br)ccc2OCc2ccccc2)CCC1 2314446764 VQWQSZMOVFCYLS-FQEVSTJZSA-N 466.257 7.681 50 10 JKGE Clc1cc(Cl)cc([C@@H](Cl)c2ccc(OCc3ccccc3)cc2Br)c1 2314452872 REZTYSOKOXCTFP-HXUWFJFHSA-N 456.594 7.663 50 10 JKGE N#CC(=Cc1ccc(-c2cccc(C(F)(F)F)c2)o1)C(=O)Nc1cccc(C(F)(F)F)c1 2314482736 UFGJAISMADDNSR-UHFFFAOYSA-N 450.338 6.530 50 10 JKGE CCCCOc1ccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)C=Cc4ccc(C)cc4)ccc32)cc1 2314634188 XWBXMUOJOQBOTL-LJAQVGFWSA-N 480.564 6.011 50 10 JKGE COc1cc(C=C(C#N)c2ccc(Cl)cc2)ccc1OC(=O)C=Cc1ccc(Cl)cc1 2314720309 NCHBVBFEXRAHQR-UHFFFAOYSA-N 450.321 6.685 50 10 JKGE COc1ccc(CCC(=O)Oc2ccc(C=C(C#N)c3ccccc3F)cc2OC)cc1OC 2320506873 TZQUVPSYVDBJOP-UHFFFAOYSA-N 461.489 5.454 50 10 JKGE COC[C@H]1C[C@@H](Cc2ccc(I)c(Br)c2)[C@H](Br)C1 2325221589 HKOHYRGXKDCDSB-QJPTWQEYSA-N 488.001 5.032 50 10 JKGE COC(=O)c1c(NC(=O)C(C#N)=Cc2ccc(Cl)cc2)sc2c1CC[C@H](C(C)(C)C)C2 2329654353 SWNICOWEHYOCIQ-INIZCTEOSA-N 456.995 5.885 50 10 JKGE Cc1nn(Cc2ccccc2)c2c1[C@@H](NC(=O)C(C#N)=Cc1cccc(Br)c1)CCC2 2329694464 RLOQUGWKNCAVQD-QFIPXVFZSA-N 475.390 5.103 50 10 JKGE COc1cc(C=C(C#N)c2nc3ccccc3n2C)ccc1OCc1c(Cl)ccc(Cl)c1Cl 2331019665 JVQOBLBJYIELNQ-UHFFFAOYSA-N 498.797 7.185 50 10 JKGE N#CC(=C(O)c1ccc(N2CCOCC2)c([N+](=O)[O-])c1)c1nc(-c2ccc3ccccc3c2)cs1 2331239070 NEFHQOHHVJFROS-UHFFFAOYSA-N 484.537 5.658 50 10 JKGE CC(C)N1C(=O)c2ccc(C(O)=C(C#N)c3nc(-c4c[nH]c5ccccc45)cs3)cc2C1=O 2331346578 BRWARIDHCCCLDF-UHFFFAOYSA-N 454.511 5.246 50 10 JKGE COc1ccc(OC)c(C=CC(O)=C(C#N)c2nc(-c3cc(C(C)(C)C)ccc3OC)cs2)c1 2331350752 QTBGFCDCSQDDFW-UHFFFAOYSA-N 476.598 6.639 50 10 JKGE COc1ccc(-c2csc(C(C#N)=C(O)[C@H]3CC(=O)N(Cc4ccccc4)C3)n2)cc1Cl 2331398291 DJEJZHBFWVPJRC-KRWDZBQOSA-N 465.962 5.313 50 10 JKGE N#CC(=Cc1cccc(OCc2ccccc2)c1)c1nc(-c2ccc(Br)cc2)cs1 2331430432 TXQXRRZJUMNACV-UHFFFAOYSA-N 473.395 7.216 50 10 JKGE COc1cc(C=C(C#N)c2nc(-c3c(C)cc(C)cc3C)cs2)ccc1OCCN1CCOCC1 2331477387 NPYCLIXEWLHKIE-UHFFFAOYSA-N 489.641 5.519 50 10 JKGE CCN(Cc1ccccc1)c1ccc(C=C(C#N)c2nc(-c3cc(C)c(OC)cc3C)cs2)cc1 2331485753 XFFOECAPHBBOPL-UHFFFAOYSA-N 479.649 7.526 50 10 JKGE CN(c1cc(Br)ccc1CBr)[C@H]1C[C@@H]2C[C@@H](OCc3ccccc3)C[C@H]12 2332002048 DJZBSMUDPRPPKY-UFGBVDADSA-N 479.256 6.164 50 10 JKGE Cc1c(Br)ccc([C@@H](Br)[C@]23COC[C@H]2C3(F)F)c1Br 2333146527 MCZATRFNHSDAIE-JLLWLGSASA-N 460.938 5.238 50 10 JKGE Cc1c(Br)ccc([C@H](Br)[C@@H]2C[C@@H]3O[C@H]2[C@H]2C[C@@H]32)c1Br 2333147535 YQQDJHCRMNHKPQ-CXCXHPLRSA-N 450.996 5.379 50 10 JKGE Fc1cc(Cl)c(Br)c(Cl)c1[C@H](Br)c1cc(Cl)sc1Cl 2335289620 MCUPXMMVKQOGJN-MRVPVSSYSA-N 487.830 7.748 50 10 JKGE CCC[C@H]1CC[C@H]([C@@H](Br)c2cc(Br)ccc2OCc2ccccc2)CC1 2336075845 SGIYODFOWXOYCJ-LYHRCORUSA-N 480.284 8.071 50 10 JKGE CC[C@@](C)(C(F)F)[C@@H](Br)c1c(C)c(Br)cc(C)c1Br 2336598225 YVCSVZFTIVVESS-GXTWGEPZSA-N 462.998 6.946 50 10 JKGE Fc1c(Br)cc(Cl)c([C@@H](Br)CC2CCOCC2)c1Br 2337098493 QXPPCSUGFNGULV-QMMMGPOBSA-N 479.409 6.257 50 10 JKGE Clc1ccc(CN2CCC[C@@H](CCCBr)C2)c(I)c1 2341024494 HVCMVUQBWZCYHB-GFCCVEGCSA-N 456.593 5.332 50 10 JKGE ClC[C@H](I)[C@@H](CCl)OCCCc1cc(Cl)cc(Cl)c1 2341219310 NFGQSNALPACPGV-QWHCGFSZSA-N 455.978 5.592 50 10 JKGE CC1(C)COc2c([C@@H](Br)c3cnsc3Br)cc(Br)cc21 2362467018 LOJJAUSCFHFHMI-LLVKDONJSA-N 482.035 5.822 50 10 JKGE CC(C)[C@H](CBr)CN1CC[C@H](CCNC(=O)OC(C)(C)C)C[C@H]1C(F)(F)F 2362788894 MOCCVMCUGZOAQL-XHSDSOJGSA-N 459.391 5.211 50 10 JKGE COc1c(Br)cc(C)c([C@@H](Br)[C@@H]2CC3(CC3)CO2)c1Br 2365193854 LKIPYGZXPPCJCO-JQWIXIFHSA-N 469.011 5.534 50 10 JKGE Cc1ccc(CSC(SCc2ccc(C)cc2)=C(C#N)C(=O)Nc2cccc(C)c2)cc1 3059107 NAPGOXFZEOVQBX-UHFFFAOYSA-N 458.652 7.152 50 10 JKGE COc1ccc(/C=N/NC(=O)C(c2ccccc2)c2ccccc2)cc1CN1CCCc2ccccc21 3064492 GZRQSPDMUNQNJQ-STKMKYKTSA-N 489.619 5.930 50 10 JKGE Cc1ccc(/C=N/N(C(=O)c2ccc(N3C(=O)CCC3=O)cc2)c2nc3ccc(C)cc3s2)cc1 9149396 OGOPEKIUGAFHKY-LQKURTRISA-N 482.565 5.247 50 10 JKGE CC(C)CCOc1cccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4ccccc4[N+](=O)[O-])ccc32)c1 38684663 RGCJWEYPASFGTD-AREMUKBSSA-N 499.523 5.457 50 10 JKGE Cc1c(C(=O)Nc2cccc(C(F)(F)F)c2)oc2c1/C(=N/NC(=O)Cc1ccccc1)CCC2 40815832 WDYIQKNRJDDAJH-NDZAJKAJSA-N 469.463 5.258 50 10 JKGE O=C(N/N=C/c1coc2ccccc2c1=O)c1ccc(OCc2ccc(Cl)cc2Cl)cc1 48573493 AOBXQRZHVMYGCM-KKMKTNMSSA-N 467.308 5.443 50 10 JKGE Cc1ccccc1-n1c(C)cc(/C=N/NC(=O)c2ccc(-n3c(C)ccc3-c3ccccc3)cc2)c1C 59304026 YZSJCRQZTLZLFA-QNKGDIEWSA-N 486.619 6.933 50 10 JKGE CCOc1cc(/C=C(/C#N)C(=O)Nc2nc3ccccc3s2)ccc1OCc1ccccc1Cl 102443913 WWHSLHZDMCMJJN-UYRXBGFRSA-N 489.984 6.473 50 10 JKGE Cc1ccc(C)c(N/C(SCc2ccc(F)cc2)=C(\C#N)S(=O)(=O)c2ccccc2)c1 104689428 XWRZZAHDHWAIRO-VHXPQNKSSA-N 452.576 5.954 50 10 JKGE ClCCc1nc2ccc(Br)cc2n1-c1cccc(I)c1 115769907 KBVWFRLWTDLHKF-UHFFFAOYSA-N 461.528 5.174 50 10 JKGE CCCCCCCCC(CBr)(CBr)c1ccc(Br)cc1 118878462 OHZMXFRIXFRPTE-UHFFFAOYSA-N 469.099 7.227 50 10 JKGE Brc1cc([C@H](Br)C23CC4CC(CC(C4)C2)C3)sc1Br 128293868 XXDSYZOLJZOAOB-RRJNDSMWSA-N 469.080 6.926 50 10 JKGE CCCCc1ccc([C@H](Br)c2cc(Br)ccc2Br)cc1 161084428 BFONFUJMHLIMSU-KRWDZBQOSA-N 461.035 7.039 50 10 JKGE Cc1ccc2nc(-c3ccc(N/C=C(/C#N)C(=O)NCc4ccc5c(c4)OCO5)cc3)sc2c1 216999901 WKEWXOOTVBAKDO-RGEXLXHISA-N 468.538 5.136 50 10 JKGE Cc1cc(N/C=C(/C#N)C(=O)Nc2ccccc2Sc2ccccc2)ccc1Br 217243946 FJARQVBVOIJCOJ-ICFOKQHNSA-N 464.388 6.367 50 10 JKGE COc1ccc([C@@H](Br)c2cccc(Br)c2Cl)cc1Br 228451675 CJKWCEXTTNWILC-CYBMUJFWSA-N 469.398 6.358 50 10 JKGE CC(=NNC(=O)C1c2ccccc2Oc2ccccc21)c1cccc(NC(=O)c2ccoc2C)c1 252598395 CZQWHEMCEMIMJY-UHFFFAOYSA-N 465.509 5.618 50 10 JKGE COc1cc(C=NNC(=O)c2cc3c(ccc4ccccc43)o2)ccc1OCc1ccccc1F 252624135 PHFLEPXRBBNZRO-UHFFFAOYSA-N 468.484 6.077 50 10 JKGE CCOC(=O)c1c(NN=C(C#N)c2nc3ccccc3[nH]2)sc(SC#N)c1-c1ccccc1 254292122 UHDJHWXDLIFHAT-UHFFFAOYSA-N 472.555 5.381 50 10 JKGE CCCOc1ccc(C(=O)Oc2ccc(C=NNC(=O)c3ccccc3C)cc2OCC)cc1 254867822 KMDPMTSKUSPVPV-UHFFFAOYSA-N 460.530 5.166 50 10 JKGE CC[C@H]1CCc2sc(C(=O)NN=C(C)c3ccc(NS(=O)(=O)c4ccc(C)cc4)cc3)cc2C1 263630616 QPLFGLNHTBSFPB-IBGZPJMESA-N 495.670 5.526 50 10 JKGE CCC1CCC([C@H](Br)c2cc(Br)c(C)cc2Br)CC1 328359362 SHZGSAUJGSKVDV-PPUFBPAQSA-N 453.056 7.172 50 10 JKGE CC(C)(C)OC(=O)NCCN1CCCOC[C@H]1c1ccccc1CCO[Si](C)(C)C(C)(C)C 616597062 MCXSAVHURFBPGV-QHCPKHFHSA-N 478.750 5.539 50 10 JKGE CC1(C)COc2c([C@@H](Br)c3ccc(Br)o3)cc(Br)cc21 688187335 GPCRMNAECULACW-CYBMUJFWSA-N 464.979 5.959 50 10 JKGE C[C@H](Cl)c1nc2ccc(F)c(Br)c2n1C[C@H]1CCCN1Cc1ccccc1 689779860 REUULYFVTDGPGQ-GOEBONIOSA-N 450.783 5.902 50 10 JKGE Cc1cc(Br)ccc1[C@H](Br)c1ccc(F)c(Br)c1F 691630194 OBWGGGYECLUTJV-LBPRGKRZSA-N 454.934 6.283 50 10 JKGE CCn1cc([C@H](Br)c2c(Br)cc(F)c(F)c2F)nc1Br 698416817 NGMBPZGRFRDKND-VIFPVBQESA-N 476.916 5.330 50 10 JKGE Brc1cc([C@@H](Br)c2ncsc2Br)sc1Br 698612353 YDPSKENBDAHNKW-RXMQYKEDSA-N 496.869 5.976 50 10 JKGE C[C@@H]1C[C@H](n2c(CCl)nc3ccc(F)c(Br)c32)CCN1Cc1ccccc1 701654631 ZFKOHTNFACAPAA-GDBMZVCRSA-N 450.783 5.902 50 10 JKGE CO[C@](C)(COCc1ccccc1)Cn1c(CCCl)nc2cccc(Br)c21 702791511 SEKJEQBDHILLEZ-NRFANRHFSA-N 451.792 5.202 50 10 JKGE CCCCc1ccc([C@@H](Br)c2scc(Br)c2Br)cc1 705464239 KFBXENFPDDOQHQ-CYBMUJFWSA-N 467.064 7.100 50 10 JKGE CC1(C)[C@@H](OCc2ccccc2)C[C@@H]1n1c(CCl)nc2cc(I)c(F)cc21 718077606 KUVIHFOMIHVUFX-OALUTQOASA-N 498.767 6.075 50 10 JKGE Cc1cc(C)cc(-n2c(C)c(Br)c(C=NNC(=O)[C@H](C)Sc3ccccc3)c2C)c1 725388174 BFCKKBULBIOUDN-IBGZPJMESA-N 484.463 6.104 50 10 JKGE CC(=NNC(=O)CSc1ccc(Cl)cc1)c1cccc(NC(=O)c2cccc(Cl)c2)c1 1083931575 YZTLDSTZVSHIEV-UHFFFAOYSA-N 472.397 5.878 50 10 JKGE O=C(CSCc1ccc(Cl)cc1)NN=Cc1ccccc1OCc1ccc(C(=O)O)cc1 1083941356 GVDIZEVVNVHAJI-UHFFFAOYSA-N 468.962 5.001 50 10 JKGE CCOc1ccc(C(=O)NN=Cc2ccc(OCc3ccccc3Cl)c(OCC)c2)cc1 1083967920 NNMOOJGBBSESMX-UHFFFAOYSA-N 452.938 5.480 50 10 JKGE COc1cc(C=NNC(=O)CSc2nc3ccccc3o2)ccc1OCc1cccc2ccccc12 1084077683 DFDXTWNPRHSIDR-UHFFFAOYSA-N 497.576 5.811 50 10 JKGE COc1cc(C=NNC(=O)[C@H](C)n2nnc3ccccc32)ccc1OCc1ccc(Cl)c(Cl)c1 1084089816 JGQYYXSVOYYJNC-HNNXBMFYSA-N 498.370 5.037 50 10 JKGE N#C/C(=C/c1ccc(OCc2ccc(Cl)cc2Cl)cc1)C(=O)Nc1cccc(C(F)(F)F)c1 1084120477 RVCNGDJCMRZVCO-YVLHZVERSA-N 491.296 7.137 50 10 JKGE COc1ccc(C=NNC(=O)C2CC2)cc1COc1c(Cl)c(Cl)c(Cl)c(Cl)c1Cl 1084222418 NUGQHVBDNVPQDW-UHFFFAOYSA-N 496.605 6.401 50 10 JKGE CCOc1ccc(C(=O)NN=Cc2c(C)n(Cc3ccc(Br)cc3)c3ccccc23)cc1 1084394894 NNKKYIGNEBOVTH-UHFFFAOYSA-N 490.401 5.923 50 10 JKGE O=C(NN=Cc1ccccc1OCc1ccccc1F)c1cc2cc(Br)ccc2o1 1084645552 ANNJBBPSFIUCKQ-UHFFFAOYSA-N 467.294 5.677 50 10 JKGE FC(F)(F)c1cc(-c2cc(CCl)n(-c3ccc(Cl)cc3Cl)n2)cc(C(F)(F)F)c1 1614818873 SHVIFDMZPDKYDB-UHFFFAOYSA-N 473.631 7.623 50 10 JKGE Cc1c(C(=O)Nc2cccc(Cl)c2Cl)oc2c1C(=NNC(=O)c1ccc(Cl)cc1)CCC2 1772744273 VISPXOFBISSKSZ-UHFFFAOYSA-N 490.774 6.271 50 10 JKGE N#CC1=C(N)Oc2c(c(-c3ccccc3)nn2-c2ccc(Cl)c(Cl)c2)[C@@H]1c1ccccc1F 1865681255 IURBXWISZJTGOE-OAQYLSRUSA-N 477.326 6.203 50 10 JKGE COc1ccc2ccccc2c1[C@H]1C(C#N)=C(N)Oc2c1c(-c1ccccc1)nn2-c1ccccn1 1865688178 MLZHHEVWPKFMFY-RUZDIDTESA-N 471.520 5.314 50 10 JKGE CCCCCOc1ccc([C@@H]2C(C#N)=C(N)Oc3c2c(C)nn3Cc2ccccc2F)cc1OC 1865694740 ALDFOSQTNNLCGD-RUZDIDTESA-N 476.552 5.175 50 10 JKGE CCCc1nn(-c2ccc(Cl)c(Cl)c2)c2c1[C@H](c1ccc3c(c1)OCCO3)C(C#N)=C(N)O2 1865698427 TUEIPRCTDACIST-OAQYLSRUSA-N 483.355 5.121 50 10 JKGE COc1ccc(-c2nn(Cc3ccc(F)cc3)c3c2[C@@H](c2cccc(F)c2)C(C#N)=C(N)O3)cc1 1865710789 IIXCBGULLDJUEM-QHCPKHFHSA-N 470.479 5.103 50 10 JKGE CCCc1nc(Nc2ccc(SC#N)cc2)cc(N2CCC(Cc3ccc(C(C)(C)C)cc3)CC2)n1 1868388847 MRHHGLHWKVRMIG-UHFFFAOYSA-N 499.728 7.502 50 10 JKGE CCOc1ccccc1Oc1c(C(F)(F)F)oc2cc(OC(=O)C(Cl)Cl)ccc2c1=O 1871385299 LKDWCOZBVCNXNY-UHFFFAOYSA-N 477.218 5.712 50 10 JKGE CCCCCCOc1ccc(/C(O)=C(\C#N)c2nc(-c3ccc(OC)c(C)c3C)cs2)cc1 1872753905 TUVNMTJNJUYAOF-RWEWTDSWSA-N 462.615 7.345 50 10 JKGE COc1cc(C)c(-c2csc(/C(C#N)=C(\O)COc3ccc(C)cc3C(C)(C)C)n2)cc1C(C)C 1872753981 XCEWUJFKVGGOGW-LVWGJNHUSA-N 490.669 7.728 50 10 JKGE COc1cc(-c2csc(/C(C#N)=C(\O)Cc3ccc(Cl)c(Cl)c3)n2)c(OC)cc1Cl 1872754967 RQFSSNKBJJCHNC-AQTBWJFISA-N 481.788 6.823 50 10 JKGE Cc1ccc(-c2csc(/C(C#N)=C(\O)c3ccc4c(c3)C(=O)N(c3ccc(F)cc3)C4=O)n2)cc1C 1872756295 HDKWFDZMJGWAAQ-BZZOAKBMSA-N 495.535 6.317 50 10 JKGE CCOc1cc(/C(O)=C(\C#N)c2nc(-c3cc(C)c(OC)cc3C)cs2)cc(OCC)c1OCC 1872757989 GBTLDPXVTAEDAV-QQTULTPQSA-N 494.613 6.582 50 10 JKGE CCc1nn(C)c([C@@H](Cl)c2sc(Br)c(C)c2Br)c1Br 1877186142 NLLHHMQTVPPPBU-SECBINFHSA-N 491.474 5.968 50 10 JKGE COc1cc(C)c([C@H](Br)c2cccc(OCc3ccccc3)c2)cc1Br 1901678185 UTFCHKDNXQQVQN-JOCHJYFZSA-N 476.208 6.829 50 10 JKGE CC[C@@H]1C[C@@H]1C[C@@H](Br)c1c(Br)sc(Br)c1Cl 1902788188 HSPSJGQNLVCQPX-FSDSQADBSA-N 451.449 6.799 50 10 JKGE FC(F)(F)[C@@H]1C[C@@H]1[C@@H](Cl)c1c(Br)sc(Br)c1Br 1905842147 DEAHHGSHRWFRED-ZQVFRVBTSA-N 477.365 6.514 50 10 JKGE Cc1c(Br)sc([C@H](Br)c2cc3c(s2)CCCC3)c1Br 1922881782 JHZJQMQNMRTSOE-GFCCVEGCSA-N 485.104 7.006 50 10 JKGE Clc1c(Br)sc(Br)c1[C@@H](Br)[C@H]1CC2CCC1CC2 1923038962 LZZVSDFJIXWWAE-UKRMECCQSA-N 477.487 7.189 50 10 JKGE C[C@@H](c1ccncc1Br)[C@H](Br)c1cccc(F)c1Br 1924037716 BITFERLOWULKJC-SDBXPKJASA-N 451.959 5.985 50 10 JKGE C[C@H](C1CCCC1)[C@H](Cl)c1c(Br)sc(Br)c1Br 1924568290 DRYJVTSVAAGWAS-LDWIPMOCSA-N 465.476 7.142 50 10 JKGE Cl[C@H](C[C@H]1CCCO1)c1c(Br)sc(Br)c1Br 1924581045 WSGNKCVPHRNXPZ-PHDIDXHHSA-N 453.421 5.885 50 10 JKGE Brc1ccc([C@@H](Br)c2c(Br)cccc2Br)s1 1937829256 USXXCDBQXBCWQG-LLVKDONJSA-N 489.852 6.520 50 10 JKGE Brc1cc(Br)c(OC[C@H]2C[C@@H](Br)C2)c(Br)c1 1991497976 XBGHKZSEQJFLEP-KNVOCYPGSA-N 477.816 5.526 50 10 JKGE CCc1nc([C@H](Br)c2sc(Br)cc2C)c(Br)s1 2003573141 XUHDDMPVRIRZFY-QMMMGPOBSA-N 460.054 6.085 50 10 JKGE C[C@]1([C@@H](Br)c2c(Br)sc(Br)c2Cl)CCCOC1 2015965874 UVMVNIJWNJGNEJ-KWQFWETISA-N 467.448 6.179 50 10 JKGE Brc1cc([C@@H](Br)[C@@H]2CCn3ccnc3C2)c(Br)s1 2046633764 MPUKZLRRSAIDBX-HQJQHLMTSA-N 455.013 5.168 50 10 JKGE Clc1cccc([C@H](Br)Cc2c(Br)cccc2Br)c1 2050569204 BGYQJUXATVFWOM-CQSZACIVSA-N 453.399 6.544 50 10 JKGE C[C@H]1CCN(Cc2ccccc2)CCN1c1cc(Br)cc(F)c1CBr 2051131642 OGPAOUQNSVSNLU-HNNXBMFYSA-N 470.224 5.584 50 10 JKGE CO[C@@H]1CC([C@H](Br)c2cc(Br)c(Br)s2)C[C@H]1OC 2054497467 MREZQAJSZHVJAP-KKZNHRDASA-N 463.029 5.149 50 10 JKGE Fc1ccc(C(F)(F)F)cc1Cn1nc(CCl)c(I)c1C(F)(F)F 2079210654 WXYBZRGEADPXRL-UHFFFAOYSA-N 486.556 5.452 50 10 JKGE Fc1ccc(OCc2cccc(Br)c2Br)c(CBr)c1 2092331580 VQUBUUJYVFEVTK-UHFFFAOYSA-N 452.943 5.825 50 10 JKGE Cc1cc(Br)c([C@H](Br)C2CC3(C2)CC3(F)F)cc1Br 2098023697 CEWZCJQBUVVIBI-ATVVMRJVSA-N 458.966 6.391 50 10 JKGE Cc1cc(Br)c([C@H](Cl)c2nn(C)c(Br)c2C)cc1Br 2111926192 ILTVNPAKKMWIAQ-NSHDSACASA-N 471.418 5.653 50 10 JKGE O=S(=O)(c1ccc(Cl)c(CBr)c1)N(Cc1ccccc1)Cc1cccs1 2123200575 JWCFLTMWKXZJSS-UHFFFAOYSA-N 470.841 5.688 50 10 JKGE Cc1cc(Br)c(C)c([C@H](Br)[C@@H]2[C@H]3CCOC[C@@H]32)c1Br 2136375395 VATQIABZAOBZIY-ACGQPVHCSA-N 453.012 5.547 50 10 JKGE Cc1cc(Br)c(C)c([C@H](Br)[C@@H]2[C@H]3CCCC[C@H]32)c1Br 2136378887 GQWSAWSUGARCKM-CIGZNWKYSA-N 451.040 6.701 50 10 JKGE COc1c(Cl)cc(Br)cc1[C@H](Cl)c1cccc(I)c1 2138253587 SMSBRHRQICNDET-CYBMUJFWSA-N 471.947 6.044 50 10 JKGE Fc1ccc(Br)c(F)c1CC[C@@H](Br)c1ccccc1Br 2169748315 MIQXKXMEJJRUTA-GFCCVEGCSA-N 468.961 6.559 50 10 JKGE Cc1cc(Br)c([C@@H](Br)[C@H]2CCCCC23CCC3)cc1Br 2173623498 VABKTQCGEUYQDJ-CZUORRHYSA-N 465.067 7.317 50 10 JKGE CCn1cc(Br)c([C@@H](Br)c2scc(C(F)(F)F)c2Br)n1 2181175634 MBZMOGSHFWLQIJ-MRVPVSSYSA-N 496.972 5.993 50 10 JKGE CCn1nc(COc2c(Br)cc(Br)cc2CBr)cc1C 2185749078 IACOHCBHBSXCCD-UHFFFAOYSA-N 466.999 5.210 50 10 JKGE Cc1cc(Br)c(CBr)c(N(C)[C@H](C)c2nscc2Br)c1 2186579250 GJXRSIVWRPACQA-SECBINFHSA-N 483.067 6.069 50 10 JKGE Cc1cc(Br)c(C)c([C@@H](Cl)c2nn(C)c(Br)c2C)c1Br 2201066365 ZRQQONFWISSKHI-GFCCVEGCSA-N 485.445 5.961 50 10 JKGE Cc1cc(Br)c(C)c([C@H](Br)[C@@H]2CCCCS2(=O)=O)c1Br 2201071523 RAODKFPYYPTSNM-SMDDNHRTSA-N 489.067 5.232 50 10 JKGE Cc1cc(Br)c(C)c([C@H](Br)[C@@H]2C[C@@]2(C)C(F)(F)F)c1Br 2201078562 PCNMWLBWCRGOQK-ZEGGKSINSA-N 478.972 6.853 50 10 JKGE Clc1cc(C[C@H]2CCCCCCCC[C@H]2Br)ccc1I 2208042076 CJCUSANFCQVZRG-HUUCEWRRSA-N 469.632 7.001 50 10 JKGE Fc1cc(Br)c(Br)cc1[C@H](Cl)c1ncsc1Br 2213491073 AFSOCDHEFJIJOV-QMMMGPOBSA-N 464.379 5.898 50 10 JKGE CC(C)(C)OC(=O)Nc1cccc([S@](C)(=O)=NCCCCCI)c1 2214704878 KXJPYKADTZODRC-DEOSSOPVSA-N 466.385 5.096 50 10 JKGE Cc1c(Br)sc([C@@H](Br)c2ccc(Br)cc2F)c1C 2218789635 IYDJMPWYMALRFA-NSHDSACASA-N 457.000 6.513 50 10 JKGE Cc1c(Br)csc1[C@H](Cl)c1ccc(Br)c(C)c1Br 2219003021 MQXJPWBAQSQPHQ-GFCCVEGCSA-N 473.455 6.981 50 10 JKGE CC(F)(F)[C@@H]1C[C@H]1[C@@H](Br)c1c(Br)cc(Cl)c(Cl)c1Cl 2224304089 FOXYIMXPMKVFJW-UDJQAZALSA-N 457.367 7.137 50 10 JKGE Cc1cc(Cl)ccc1[C@H](Br)c1cc(Br)c(Br)cc1F 2225617512 PAABLRWGLPXVEQ-AWEZNQCLSA-N 471.389 6.797 50 10 JKGE Clc1cc(Br)c([C@H](Br)[C@@H]2C[C@@H]3CCC[C@@H]3C2)c(Cl)c1Cl 2232513010 VUCBBSNQORJEHT-MRCNFZFLSA-N 461.452 7.672 50 10 JKGE CC(C)(C1CCCC1)[C@@H](Br)c1c(Br)cc(Cl)c(Cl)c1Cl 2232529021 KHWFKWKRVIHCKY-AWEZNQCLSA-N 463.468 8.062 50 10 JKGE Brc1ccccc1C[C@H](Br)c1ccc2c(c1Br)CCO2 2238082651 QFNFCGHAPZZKBN-AWEZNQCLSA-N 460.991 5.825 50 10 JKGE C[C@H](C[C@H](Br)c1c(F)cc(Br)c(F)c1Br)C(F)F 2260065129 GLJBPIPJEJUQPK-UHNVWZDZSA-N 456.897 6.217 50 10 JKGE Cc1cc([C@@H](Br)c2ccc(Cl)c(I)c2)cc(C)c1F 2268280444 PVQYGQRDKFODAV-AWEZNQCLSA-N 453.520 6.185 50 10 JKGE C[C@@H](Br)CN(Cc1c(Br)cccc1Br)CC(C)(C)C 2272538237 YNFWTIJACVPWDP-LLVKDONJSA-N 456.060 5.843 50 10 JKGE Fc1ccc([C@@H](Br)Cc2cc(Br)cc(Br)c2)c(F)c1 2277895610 FYLYLJHHIPBKMV-ZDUSSCGKSA-N 454.934 6.169 50 10 JKGE Clc1cc(Cl)cc([C@H](Br)Cc2cc(Br)cc(Br)c2)c1 2277964767 HGNBYWLUFPRREN-CQSZACIVSA-N 487.844 7.197 50 10 JKGE COc1ccc([C@H](Br)c2ccc(Br)cc2C)c(Br)c1Cl 2283550431 AEBMJAVMBDOTBS-CYBMUJFWSA-N 483.425 6.666 50 10 JKGE C[C@@H]1C[C@H]1CCCCCOc1c(Br)cc(CBr)cc1Br 2284853016 KNNKXGMRNORPLR-DGCLKSJQSA-N 469.055 6.702 50 10 JKGE CCCCOc1ccc(-c2nn(-c3ccccc3)cc2C=C(C#N)C(=O)NCc2cccnc2)cc1 2296706122 ZKBNMGWKFKTJSJ-UHFFFAOYSA-N 477.568 5.337 50 10 JKGE CC(C)CC1([C@@H](Br)c2ccc(OCc3ccccc3)cc2Br)CC1 2299533049 NUBVVGMBWPQOOT-FQEVSTJZSA-N 452.230 7.290 50 10 JKGE FC1(F)C[C@]12C[C@H]2[C@@H](Br)c1cc(Br)ccc1OCc1ccccc1 2299535018 KLSFLMZIWFFWJB-SZMVWBNQSA-N 458.140 6.509 50 10 JKGE Cc1ccc(NC(=O)C(C#N)=Cc2cc(Cl)ccc2OCc2ccc(Cl)cc2)cc1C 2313724533 FWLKJKYDAJYZGR-UHFFFAOYSA-N 451.353 6.735 50 10 JKGE FC1(F)[C@@H]2COC[C@]21[C@H](Br)c1cc(Br)ccc1OCc1ccccc1 2314458428 FDYFPVAFZRVDPG-KZNAEPCWSA-N 474.139 5.746 50 10 JKGE FC(F)c1cccc([C@@H](Br)c2sc(Cl)cc2I)c1 2316657895 CPEZILAGIYUEQM-SNVBAGLBSA-N 463.512 6.428 50 10 JKGE N#CC(=Cc1ccccc1)C(=O)N1CCC2(C=Cc3ccc(OCc4ccccc4)cc3O2)CC1 2318734558 GIMOGOFZUHJPAT-UHFFFAOYSA-N 462.549 5.640 50 10 JKGE COc1ccccc1N1CCN(C=C(C#N)C(=O)NC2CCCCCCCCCCC2)CC1 2325481516 DXXNHNFJGJJTDK-UHFFFAOYSA-N 452.643 5.014 50 10 JKGE COc1ccc(-c2csc(C(C#N)=C(O)c3c(Cl)ccc(Cl)c3OC)n2)cc1OC 2331242725 DNWWZLQIOBNYED-UHFFFAOYSA-N 463.342 6.093 50 10 JKGE CCCCc1ccc(N2C[C@H](C(O)=C(C#N)c3nc(-c4ccc(C(C)(C)C)cc4)cs3)CC2=O)cc1 2331331918 IRPNEZSVMQPDRZ-JOCHJYFZSA-N 499.680 7.296 50 10 JKGE CC(C)c1ccc(-c2csc(C(C#N)=C(O)c3ccc4c(c3)C(=O)N(Cc3ccco3)C4=O)n2)cc1 2331343051 PUTMSQNZPVTLFA-UHFFFAOYSA-N 495.560 6.273 50 10 JKGE COc1ccc(Cl)cc1-c1csc(C(C#N)=C(O)[C@H](C)Oc2ccc(C(C)C)cc2)n1 2331411045 HMJOHZXQHDZXJI-HNNXBMFYSA-N 454.979 6.856 50 10 JKGE COc1ccc(-c2csc(C(C#N)=C(O)[C@H](C)Oc3ccc(Cl)cc3)n2)c(OC)c1OC 2331412832 KYVRUIPNOXGCGE-ZDUSSCGKSA-N 472.950 5.749 50 10 JKGE FC(F)(F)[C@@H]1CCO[C@H]1[C@@H](Br)c1cc(Br)ccc1OCc1ccccc1 2336055196 YCWNRWDQSKGAOP-BPQIPLTHSA-N 494.145 6.432 50 10 JKGE COCc1ccc([C@H](Br)c2cc(Br)ccc2OCc2ccccc2)cc1 2336075011 LMMVUIBPPTWRJG-QFIPXVFZSA-N 476.208 6.659 50 10 JKGE CC(C)(C)[C@@H]1[C@@H](Cl)CCN1Cc1ccc(I)c(Br)c1 2349836082 LDHAFDVQHVNDFL-JSGCOSHPSA-N 456.593 5.282 50 10 JKGE CCC1(CC)[C@@H](OCc2ccc(I)c(Br)c2)C[C@H]1Cl 2350060772 ONIDKOJICAIWMW-KGLIPLIRSA-N 457.577 5.756 50 10 JKGE FC1(F)CCC2(CC1)C[C@@H]2[C@@H](Cl)c1ccc(OCc2ccccc2)cc1Br 2361168257 KBTSXYVFAPNTNC-QUCCMNQESA-N 455.770 7.524 50 10 JKGE Brc1ccc(OCc2ccccc2)c([C@H](Br)[C@H]2CCOc3ccccc32)c1 2361179862 YWSJTOOCEYRJOJ-WMZHIEFXSA-N 488.219 7.030 50 10 JKGE Fc1cccc(F)c1[C@H](Br)c1c(Cl)cc(Br)c(F)c1Br 2362228682 FXLRJENQZPBJCE-LLVKDONJSA-N 493.342 6.767 50 10 JKGE COc1c(Br)cc(C)c([C@H](Br)CC[C@@H]2CCCO2)c1Br 2365231653 NJGXUVDRNITZEW-WDEREUQCSA-N 471.027 5.924 50 10 JKGE COc1cc([C@@H](Cl)c2c(Cl)cc(Br)c(F)c2Br)sc1Cl 2365838072 KKOFSUIPSVJQHJ-SNVBAGLBSA-N 483.411 7.056 50 10 JKGE COc1c(Br)cc(C)c([C@@H](Br)[C@@H]2CCC[C@H](C)O2)c1Br 2366974726 NFMOKQKZHRNSEW-GAFUQQFSSA-N 471.027 5.922 50 10 JKGE CCc1cc(Br)c(OC)c([C@@H](Br)c2cc(Cl)sc2Cl)c1 2381253771 JSILVHKHWRFVKM-GFCCVEGCSA-N 459.030 6.873 50 10 JKGE CCOC(=O)c1c(-c2ccccc2)csc1NC(=O)/C(C#N)=C\c1cc(Br)ccc1O 33910290 MORJNLVJTNUDPM-YBEGLDIGSA-N 497.370 5.606 50 10 JKGE COc1cc([N+](=O)[O-])ccc1NC(=O)/C(C#N)=C\c1ccc(OC)c(OCc2ccccc2Cl)c1 34870803 BDGHERFNISOYKI-WQRHYEAKSA-N 493.903 5.390 50 10 JKGE C[C@@H](Cl)c1nc2cc(Br)ccc2n1-c1ccc(I)cc1 36910623 BAGRAFDQQCGNDK-SECBINFHSA-N 461.528 5.692 50 10 JKGE CCCCOc1ccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4ccc(Cl)cc4)ccc32)cc1 38650760 PHZOUYIFDBFVKT-VWLOTQADSA-N 474.944 5.956 50 10 JKGE CCOc1ccc(C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@@H]3c2ccc(Cl)c(Cl)c2)cc1 38655808 YYRWDVODRDGBSZ-HSZRJFAPSA-N 481.335 5.829 50 10 JKGE Cc1cccc(OCC(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@@H]3c2ccc(Cl)c(Cl)c2)c1C 38655976 YAIKZSHEPMTRFR-RUZDIDTESA-N 495.362 5.813 50 10 JKGE N#CC1=C(N)Oc2cc(OC(=O)c3ccc(Cl)cc3)ccc2[C@@H]1c1c(Cl)cccc1Cl 38679524 RSECMFDKAKDUDG-FQEVSTJZSA-N 471.727 6.084 50 10 JKGE CCOc1ccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)Cc4cccc5ccccc45)ccc32)cc1 38685862 WZICXIOHUVWAJI-LJAQVGFWSA-N 476.532 5.605 50 10 JKGE Cc1cc2oc(C(=O)Oc3ccc4c(c3)OC(N)=C(C#N)[C@@H]4c3cccc(F)c3)c(C)c2cc1C 38700488 GKISXIYYIAGTTB-RUZDIDTESA-N 468.484 5.935 50 10 JKGE CCCCCCOc1ccc(/C=C(\C#N)C(=O)Nc2cc([N+](=O)[O-])ccc2OC)cc1OC 40859390 RJFTWQITKMSACL-QGOAFFKASA-N 453.495 5.117 50 10 JKGE CCCCCCOc1ccc(/C=N/NC(=O)CSc2nnc(-c3ccccc3)s2)cc1OCC 40947760 CICRNHSTMAFRIX-YZSQISJMSA-N 498.674 5.805 50 10 JKGE Cc1c(/C=N/NC(=O)CC[C@H](O)c2ccccc2)c2ccccc2n1Cc1ccc(Cl)cc1 58888726 QZGKGNPRMMRSCP-WVOIHLJESA-N 459.977 5.615 50 10 JKGE COc1ccc(C(=O)Oc2ccc(/C=C(\C#N)C(=O)Nc3cc(Cl)ccc3Cl)cc2)cc1 59117398 LWQMLPKAESIZQS-SFQUDFHCSA-N 467.308 5.767 50 10 JKGE O=C(N/N=C(/CSc1nc2ccccc2s1)c1ccc(-c2ccccc2)cc1)c1ccccc1O 59460776 JVYPIJDPVNWSRG-KRUMMXJUSA-N 495.629 6.595 50 10 JKGE CSc1cccc(N/C(SCc2cccc(F)c2)=C(\C#N)S(=O)(=O)c2ccccc2)c1 96482161 KXMOZGFPBDJQLO-FCQUAONHSA-N 470.616 6.059 50 10 JKGE C[C@@H](Cl)c1nc2cc(Br)cnc2n1-c1ccccc1I 98039898 LMCDSEPVONNNAS-MRVPVSSYSA-N 462.516 5.087 50 10 JKGE Cc1ccc(-c2csc(/C(C#N)=C\Nc3ccccc3OC(F)(F)[C@@H](F)Cl)n2)c(C)c1 102416003 XWWDLKYKGXBJQZ-FWZXEQAJSA-N 463.912 6.910 50 10 JKGE N#C/C(C(=O)Cn1cnc2scc(-c3ccc4ccccc4c3)c2c1=O)=C1\Nc2ccccc2S1 103908192 CSOBYYMHWDWKFS-PLRJNAJWSA-N 492.585 5.800 50 10 JKGE CC(C)(C)[Si](C)(C)OC[C@@H]1CC/C(=C(\C#N)C2=N[C@@H](CO[Si](C)(C)C(C)(C)C)CC2)N1 195806927 JYNLYWZVXIGLJC-WAEFHBFHSA-N 463.815 6.163 50 10 JKGE CC[C@H](NC(=O)/C(C#N)=C\Nc1ccc(Br)c(C)c1)c1ccc2c(c1)CCCC2 217192730 QSCMBFQOMGOSFS-WNPPMXKSSA-N 452.396 5.723 50 10 JKGE CCOc1ccc([C@H](Br)c2cccc(Br)c2Cl)cc1Br 228996046 LJFLWOAATBRSRQ-AWEZNQCLSA-N 483.425 6.748 50 10 JKGE CCOc1ccc([C@@H](Cl)c2cccc(C)c2I)c(Br)c1 233798372 GCWHYAHLFWDCRN-OAHLLOKOSA-N 465.556 6.089 50 10 JKGE Fc1cc(F)c([C@@H](Br)c2cc(Br)cc(Br)c2)c(F)c1 236223919 UBFVTOMBTXCDLZ-ZDUSSCGKSA-N 458.897 6.113 50 10 JKGE Fc1cc(Br)c(Cl)cc1[C@H](Br)c1csc(Br)c1 236231394 FFIIAWBVPRIGCD-LLVKDONJSA-N 463.391 6.550 50 10 JKGE CC(C)(C)[C@@H]1CCc2c(C(=O)NN=Cc3cn(Cc4ccccc4)c4ccccc34)csc2C1 252605842 GNKJTAIDPKPGPC-JOCHJYFZSA-N 469.654 6.666 50 10 JKGE CC(=O)N(N=Cc1ccc(C)cc1)c1nc(COC(=O)Cc2cccc3ccccc23)cs1 254521408 JNCCYBYYRNRBON-UHFFFAOYSA-N 457.555 5.278 50 10 JKGE C=CCc1ccccc1OCC(=O)NN=Cc1c(OC(=O)c2ccc(OC)cc2)ccc2ccccc12 254707740 HDRRLTDYCOSBBS-UHFFFAOYSA-N 494.547 5.325 50 10 JKGE Cc1cc(C)c(C)c(Cn2ccc3c(C=NNC(=O)c4ccc(O)c(C#N)c4)cccc32)c1C 255976866 HNTXQDRFWJBZGO-UHFFFAOYSA-N 450.542 5.264 50 10 JKGE O=C(Nc1cc(I)ccc1Cl)c1ccc(CBr)cc1 305925141 AVKGMHPXJUACRY-UHFFFAOYSA-N 450.501 5.092 50 10 JKGE Fc1cccc([C@H](Cl)c2cc(I)cc3c2OCC3)c1Br 379939126 AKRLKKBVKCEZAV-AWEZNQCLSA-N 467.503 5.456 50 10 JKGE C[C@H]1CCN(c2ccc(Br)cc2CBr)CCN1Cc1ccccc1 382665757 YUYBHCOIXHEBGJ-INIZCTEOSA-N 452.234 5.445 50 10 JKGE COc1ccc(Br)cc1[C@H]1CN(C(=O)OCc2ccccc2)C[C@@H]1CBr 382704910 RSWZUEJKXBGQFU-YJBOKZPZSA-N 483.200 5.205 50 10 JKGE CC(C)(C)[Si](C)(C)OCCc1ccc([C@H]2CCCCN2S(=O)(=O)c2ccccc2)cc1 616625221 HADCIFOSZJAFIX-XMMPIXPASA-N 459.728 6.167 50 10 JKGE Clc1cc([C@@H](Br)c2ccc(C3CC3)s2)ccc1I 707924116 FABGJIQRIJUCOS-CQSZACIVSA-N 453.570 6.368 50 10 JKGE O=C(NN=C(CSc1nc2ccccc2s1)c1ccc2ccccc2c1)c1ccccc1Cl 1084038136 CXLWJNQQDDXKNJ-UHFFFAOYSA-N 488.037 7.029 50 10 JKGE CC(C)=CCC/C(C)=C\C=NNC(=O)c1cc(C(=O)NN=C/C=C(/C)CCC=C(C)C)c(C)nc1C 1772721616 GBIYZCKJMTUOKB-KYTFKOPPSA-N 491.680 6.515 50 10 JKGE Cc1cccc(C(=O)NN=C2CCCc3oc(C(=O)Nc4ccccc4Br)c(C)c32)c1 1772745158 UIQSQKGGYILFFE-UHFFFAOYSA-N 480.362 5.382 50 10 JKGE N#CSc1ccc(NC(=O)Oc2cccc3c(NC(=O)c4cccc(F)c4)cccc23)cc1 1858767546 GZMQRQCQYLVWRK-UHFFFAOYSA-N 457.486 6.415 50 10 JKGE Cc1ccc(C)c(Cn2nc(-c3ccccc3)c3c2OC(N)=C(C#N)[C@H]3c2cc(C)ccc2O)c1 1865687668 XLKSBWNYASYBAG-RUZDIDTESA-N 462.553 5.447 50 10 JKGE CCCOc1c(OC)cccc1[C@H]1C(C#N)=C(N)Oc2c1c(CC)nn2-c1ccccc1Cl 1865692210 CLQQESFBNSVFMT-NRFANRHFSA-N 464.953 5.104 50 10 JKGE CC(C)[C@@H](C(=O)N[C@H](Cc1ccc(F)cc1)C(=O)Nc1ccc(SC#N)cc1)c1ccc(F)cc1 1866968264 OKAHAYJCIFCTKT-JWQCQUIFSA-N 493.579 5.644 50 10 JKGE COc1ccc(-c2c(C3CCC3)oc3cc(OCc4ccc(CCl)cc4)ccc3c2=O)cc1OC 1871436993 VKHOKVUXWSGLFV-UHFFFAOYSA-N 490.983 7.063 50 10 JKGE CCOc1cc(/C=C(\C#N)c2cc3c(cc2[N+](=O)[O-])OCCO3)ccc1OCc1ccccc1F 1872728554 IUWHYYNEGVVVNY-YBFXNURJSA-N 476.460 5.547 50 10 JKGE N#C/C(=C(/O)Cc1cc(Cl)ccc1Cl)c1nc(-c2ccc(Br)cc2)cs1 1872746569 NSYVTZFKKYYRIN-SDXDJHTJSA-N 466.187 6.915 50 10 JKGE COc1ccccc1-c1csc(/C(C#N)=C(\O)[C@@H]2CC(=O)N(c3cc(Cl)ccc3OC)C2)n1 1872747179 QRQFYEJEMNESHZ-RYPAHKROSA-N 481.961 5.326 50 10 JKGE COc1ccc(Cl)cc1N1C[C@H](/C(O)=C(\C#N)c2nc(-c3ccc(F)c(F)c3)cs2)CC1=O 1872751579 NVGQXOVXRPDXCZ-JZZHWFMQSA-N 487.915 5.596 50 10 JKGE CCOC(=O)Oc1ccc(/C(O)=C(\C#N)c2nc(-c3cc(C(C)(C)C)ccc3OC)cs2)cc1 1872751618 PXIDEZBFCGFURJ-ATJXCDBQSA-N 478.570 6.601 50 10 JKGE CC[C@@H](C)N1C(=O)c2ccc(/C(O)=C(\C#N)c3nc(-c4ccc(F)c(F)c4)cs3)cc2C1=O 1872752024 ZSWVMKSESUXTBG-ZZNSHVFXSA-N 465.481 5.433 50 10 JKGE Cc1cc(C)c(C)c(-c2csc(/C(C#N)=C(\O)c3ccc(N4CCCC4)c([N+](=O)[O-])c3)n2)c1C 1872754476 VAXSJNIHNOZFNJ-QQTULTPQSA-N 474.586 6.502 50 10 JKGE COc1c(C)cc(Cl)cc1-c1csc(/C(C#N)=C(\O)COc2cc(Cl)ccc2Cl)n1 1872756969 KOJXXTIZLHTSKS-SDXDJHTJSA-N 481.788 6.959 50 10 JKGE COc1c(C)cc(Cl)cc1-c1csc(/C(C#N)=C(\O)c2cc([N+](=O)[O-])cc([N+](=O)[O-])c2C)n1 1872757119 RGNAOUNEDAHFFK-MNDPQUGUSA-N 486.893 5.855 50 10 JKGE CCCOc1c(Br)cc(/C=C(\C#N)c2nc(-c3ccc(C)c(C)c3)cs2)cc1OC 1872793514 DEEMDAHNEFARIB-VXLYETTFSA-N 483.431 7.051 50 10 JKGE CCOc1cc(/C=C(\C#N)c2nc(-c3ccc(Cl)s3)cs2)cc(Br)c1O 1872794848 ZOTOJZCGJLZJET-VZUCSPMQSA-N 467.797 6.456 50 10 JKGE C[C@@H](Cl)c1c(Br)c(Br)cc(Br)c1Br 1884226098 CFWHQQDOFFPLIL-GSVOUGTGSA-N 456.197 6.036 50 10 JKGE Cc1nsc(Br)c1[C@H](Br)c1cc(Br)c(Cl)s1 1912970952 IVMHIBAFTQFBNN-SSDOTTSWSA-N 466.445 6.176 50 10 JKGE Cc1c(Br)sc([C@@H](Br)c2cccc3ccsc23)c1Br 1922894864 PDQVNESLACRBON-NSHDSACASA-N 481.072 7.281 50 10 JKGE Cc1c(Br)sc([C@@H](Br)c2ccc(C3CC3)cc2)c1Br 1922934885 KNDUTDCSLWMHAG-ZDUSSCGKSA-N 465.048 6.943 50 10 JKGE CS(=O)(=O)c1sccc1[C@H](Cl)c1c(Br)sc(Br)c1Cl 1923039239 NGHYDDBDIRCPFN-LURJTMIESA-N 485.071 5.720 50 10 JKGE CC[C@H](C(C)C)[C@H](Br)c1c(Br)sc(Br)c1Cl 1923066560 QYYRGDBHVKGQSI-SVRRBLITSA-N 453.465 7.045 50 10 JKGE Fc1cccc(Cl)c1C[C@@H](Cl)c1c(Br)sc(Br)c1Cl 1923066983 XHCQDWZHZUWTSM-SSDOTTSWSA-N 467.412 7.242 50 10 JKGE CC(F)(F)CC[C@H](Cl)c1c(Br)sc(Br)c1Br 1924612049 ISHSQCLSYZYECM-BYPYZUCNSA-N 461.391 6.751 50 10 JKGE CC(C)(C1CCCC1)[C@H](Cl)c1c(Br)sc(Br)c1Br 1924616896 UXRIHDRKQUPSKH-SNVBAGLBSA-N 479.503 7.532 50 10 JKGE Clc1sc(Br)c(Cl)c1[C@@H](Cl)c1sccc1I 1925575037 WCPDBWFXDUOOFV-RXMQYKEDSA-N 488.424 6.812 50 10 JKGE FC(F)(F)C([C@H](Br)c1c(Cl)sc(Br)c1Cl)C(F)(F)F 1925588588 GSQSNPKNMYGZTP-UWTATZPHSA-N 474.873 6.994 50 10 JKGE Fc1cc(F)c([C@@H](Br)c2c(Cl)sc(Br)c2Cl)c(F)c1 1925590390 OQJSAIHFRKXLGN-MRVPVSSYSA-N 454.920 6.719 50 10 JKGE C[C@H]1COc2ccc([C@@H](Br)c3cc(Br)cc(Br)c3)cc21 1925755959 NCCKTEIDZLRKEX-XXFAHNHDSA-N 460.991 6.192 50 10 JKGE CCc1sc(Br)cc1[C@H](Br)c1cccc(I)c1 1943032745 GPORVFBVROKLSU-CYBMUJFWSA-N 486.010 6.162 50 10 JKGE Fc1ccc([C@@H](Br)c2cscc2OCc2ccccc2)c(F)c1Br 1950320436 HRVCNAASSWFRRP-MRXNPFEDSA-N 474.164 6.852 50 10 JKGE Cl[C@H](c1csc(I)c1)c1ccc(Br)cc1Br 1994122146 IVPUEGCAPUXYFB-LLVKDONJSA-N 492.401 6.206 50 10 JKGE CC[C@@H](Br)CN(Cc1ccccc1)C(=O)c1cc(Cl)c(C)c(Br)c1 2002241935 ISCLDKGCZCITCI-MRXNPFEDSA-N 473.636 6.227 50 10 JKGE CC1(C[C@H](Br)c2c(Br)sc(Br)c2Cl)CCCC1 2003174203 BXLMADOMNFDOJK-ZETCQYMHSA-N 465.476 7.333 50 10 JKGE CCc1nc([C@@H](Cl)c2sc(Br)cc2Br)c(Br)s1 2003572917 VOTPJPLUFFTONK-SSDOTTSWSA-N 480.472 6.383 50 10 JKGE CCN(C[C@](C)(CI)O[C@@H]1CCC[C@H](C)[C@H]1C)C(=O)OC(C)(C)C 2022947716 MOAZCGUOPUUSNE-MKSNKDDYSA-N 453.405 5.278 50 10 JKGE Cc1cc([C@@H](Br)c2cc(Br)c(C)s2)ccc1I 2026132688 KTUYUNXEUQNMMC-CYBMUJFWSA-N 486.010 6.216 50 10 JKGE CCc1sc(Br)cc1[C@H](Cl)c1cccc(Br)c1Br 2031482453 SBFZMJONZSCXTA-CYBMUJFWSA-N 473.455 6.926 50 10 JKGE FC1(F)C[C@]12CC[C@@H]([C@@H](Br)c1sc(Br)cc1Br)C2 2038549039 LDWSWNTXJUGNGN-KNBVPPQFSA-N 464.995 6.535 50 10 JKGE CC(C)COc1ccc(-c2nn(-c3ccccc3)cc2C=C(C#N)c2nc3ccccc3[nH]2)cc1 2040469224 DOJMTRBBKWJDQT-UHFFFAOYSA-N 459.553 6.515 50 10 JKGE Clc1sccc1[C@H](Br)c1cc(I)cc2c1OCC2 2056343274 TUUDBJFDVMBNDC-NSHDSACASA-N 455.542 5.425 50 10 JKGE O=S(=O)(c1cc(CBr)oc1Br)N(Cc1ccccc1)C1CCCCC1 2059265228 RJZZOUZEUUGLOY-UHFFFAOYSA-N 491.245 5.461 50 10 JKGE CC(C)(C)OC(=O)N1CCC[C@](CI)(OC[C@@H]2C[C@@H]2C2CCCC2)C1 2079995270 KPLRGFSARBWNBF-SQGPQFPESA-N 463.400 5.034 50 10 JKGE Cc1c(Br)ccc([C@H](Cl)c2c(Br)cnn2C)c1Br 2083334758 UCNCVJAZDXIUOP-NSHDSACASA-N 457.391 5.344 50 10 JKGE BrC[C@@H](Cc1ccc(Br)cc1)Cc1csc(Br)c1 2084077125 MHPPMNHBWAWUSQ-NSHDSACASA-N 453.037 6.069 50 10 JKGE C[C@H](Br)C[C@H]1CCCCN1Cc1c(Br)cccc1Br 2094101103 ZIPNOZWBTSDNGH-NWDGAFQWSA-N 454.044 5.740 50 10 JKGE Clc1ccc([C@H](Br)c2cc(C3CC3)c(Br)s2)c(Br)c1 2094674312 UFNZMNRCYSLYMK-ZDUSSCGKSA-N 485.466 7.288 50 10 JKGE Fc1ccc([C@H](Br)CCc2c(Br)cccc2Br)cc1 2113382871 XUFLNRAILPEPJZ-CYBMUJFWSA-N 450.971 6.420 50 10 JKGE Cc1c(Br)sc([C@H](Br)[C@H]2[C@@H]3[C@H]2CCCC3(F)F)c1Br 2114393747 UEBIRUNNZMFVDF-PYHGXSLLSA-N 479.022 6.699 50 10 JKGE C[C@@H]1CN(C(=O)c2cc(Br)c(Br)s2)CC[C@@H]1CCBr 2115841028 CTPFELDMLFYVQB-BDAKNGLRSA-N 474.056 5.156 50 10 JKGE Cc1cc(Br)c(C)c([C@H](Br)[C@H]2CCC[C@H](C)C2)c1Br 2136383232 FLMUXXDMQLYOKF-RVIYUIFMSA-N 453.056 7.091 50 10 JKGE COc1ccc([C@@H](Br)c2ccccc2I)c(Cl)c1Cl 2138642386 MCOUZBWRDLLCEQ-LBPRGKRZSA-N 471.947 6.091 50 10 JKGE Cc1c(Br)ccc([C@H](Br)c2cc(F)cc(F)c2)c1Br 2138851277 JXIDSAPSCRUVRC-CQSZACIVSA-N 454.934 6.283 50 10 JKGE Cc1c(Br)ccc([C@H](Br)[C@@H]2C[C@@H]3CCCC[C@H]32)c1Br 2138864581 ORYZSXYMQDXZCB-IQDSPRDJSA-N 451.040 6.782 50 10 JKGE COc1c(Br)cc(C)cc1[C@@H](Br)c1cc(Br)c(Cl)s1 2139002091 XNKSRVOUZVVLQN-LLVKDONJSA-N 489.454 6.728 50 10 JKGE BrCc1cc(Br)cc(Br)c1OCc1csc2cncn12 2151224421 MLTODFXBBAKLBD-UHFFFAOYSA-N 481.007 5.395 50 10 JKGE Fc1cc(Oc2c(CCl)ccc(Br)c2Cl)c(Cl)cc1Br 2154359389 LYXDVJCOKLADQQ-UHFFFAOYSA-N 463.355 7.189 50 10 JKGE CC1(C)C[C@H](n2c(CCl)nc3cc(I)c(F)cc32)[C@@H]1OCc1ccccc1 2156374049 KCFIMTNJMMOKSX-ICSRJNTNSA-N 498.767 6.075 50 10 JKGE CCOc1cc(Cl)c([C@H](Br)c2cc(C)sc2Br)cc1Cl 2157247635 FNIRKHPRMOSNPF-ZDUSSCGKSA-N 459.030 7.009 50 10 JKGE FC1(F)CCOC[C@H]1COc1c(Br)cc(Br)cc1CBr 2170266133 DUOJWOKHJRQMMP-VIFPVBQESA-N 478.953 5.157 50 10 JKGE CCc1nn(-c2cc(C)cc(Br)c2CBr)c(CC)c1Br 2173446048 YPTFUQIWLFTWSI-UHFFFAOYSA-N 465.027 5.725 50 10 JKGE CC[C@@](CBr)(Cc1cc(Br)ccc1Br)c1ccccc1 2175146737 HLZWHHJWBMBRFL-KRWDZBQOSA-N 461.035 6.497 50 10 JKGE Cc1nn(C)c2sc([C@H](Br)c3cc(Br)ccc3Br)cc12 2175236086 JNBBEUPFXKWTTF-CYBMUJFWSA-N 479.035 5.953 50 10 JKGE Cc1c(CBr)cccc1S(=O)(=O)N(Cc1ccccc1)[C@H](C)c1cccs1 2179775107 JSEKTJJOMZNBFP-QGZVFWFLSA-N 464.450 5.904 50 10 JKGE FC(F)(F)[C@@H]1C[C@@H]1C[C@H](Br)c1cc(I)cc2c1OCC2 2185214677 VNTDSLNKSQZCPF-FXAINCCUSA-N 461.059 5.251 50 10 JKGE Cc1cc(C)c([C@@H](Br)c2c(C)nn(C)c2Br)c(C)c1Br 2185752624 VXQXWEUQJOPPIK-CQSZACIVSA-N 465.027 5.663 50 10 JKGE Cc1cc(Br)c(C)c([C@@H](Cl)Cc2cccc(Br)c2)c1Br 2201076991 GSOPHDBEUFJFIN-AWEZNQCLSA-N 481.453 7.114 50 10 JKGE COc1c(C)cc(Br)cc1[C@@H](Cl)c1cc(Br)cc(Br)c1 2206587805 VEKVPFHUJMLXSY-AWEZNQCLSA-N 483.425 6.619 50 10 JKGE COc1ccc(OC)c([C@H](Cl)c2ccc(Br)cc2I)c1 2207272473 OABIHHQQXLTSGW-OAHLLOKOSA-N 467.528 5.399 50 10 JKGE CCOCc1cc(Br)c([C@H](Br)c2csc(Br)c2)s1 2217982460 ANKSHSWZXGQNGT-LLVKDONJSA-N 475.065 6.355 50 10 JKGE COc1sccc1[C@H](Br)c1cc(Br)c(Br)cc1F 2218595806 ATOBRMOKVVZXJH-NSHDSACASA-N 458.972 5.905 50 10 JKGE Cc1ccsc1[C@H](Br)c1c(Br)cc(C)c(Br)c1C 2220151215 QBQXLCZUWLJPTH-CYBMUJFWSA-N 453.037 6.683 50 10 JKGE Brc1sc2ccccc2c1CNCCCCCCI 2224711197 WSHSBFBEBYDBEX-UHFFFAOYSA-N 452.199 5.749 50 10 JKGE BrCCC[C@@H]1CCCN(Cc2cc(Br)ccc2Br)C1 2225820308 ZNRVWPUQAXMHQK-GFCCVEGCSA-N 454.044 5.599 50 10 JKGE Cc1cc(Br)c([C@H](Br)C[C@@H]2CO[C@@H](C)C2)c(C)c1Br 2227347746 KAHVJLLGINFNPN-UFGOTCBOSA-N 455.028 6.080 50 10 JKGE Cc1cc(Br)c([C@@H](Br)C2(CC(C)C)CC2)c(C)c1Br 2227352364 BZXCYCWMHKRENE-OAHLLOKOSA-N 453.056 7.091 50 10 JKGE Cc1cc(Br)c([C@@H](Br)[C@@H](C)CC(F)(F)F)c(C)c1Br 2227354970 LMPZIILLJATBAR-MADCSZMMSA-N 466.961 6.853 50 10 JKGE Cc1sc(Br)cc1[C@@H](Br)c1ccc2c(c1Br)CCO2 2229733664 LEIHZHHNQVPPNB-AWEZNQCLSA-N 467.020 6.001 50 10 JKGE Fc1cc(Br)cc2c1nc(CCCl)n2C[C@@H]1CC1(Br)Br 2233039463 LECZCSCTOBMIQI-ZETCQYMHSA-N 489.408 5.225 50 10 JKGE Cc1cc(Br)c([C@@H](Br)C2C[C@@H]3CC[C@H](C2)O3)c(C)c1Br 2235608787 LSTCPSNGMQELHF-GTCHNVEASA-N 467.039 6.222 50 10 JKGE Fc1cc(Br)c(F)c(Br)c1[C@@H](Br)C1CC(Cl)C1 2250747390 LRNIMEGGZBMNBJ-UDSLYJHRSA-N 453.346 5.943 50 10 JKGE Clc1csc([C@H](Br)c2cc3sc(Br)cc3s2)c1Cl 2263560218 PHTUUZFNTFPPSL-SECBINFHSA-N 463.068 7.578 50 10 JKGE Cl[C@H](C[C@@H]1CCCCC12CC2)c1c(Br)sc(Br)c1Br 2264947857 NUIGZSPIPYLDJT-DTWKUNHWSA-N 491.514 7.676 50 10 JKGE COc1ccc([C@@H](Cl)c2ccc(Cl)c(I)c2)cc1Br 2268280926 WIHPQZNSKRJYJA-CQSZACIVSA-N 471.947 6.044 50 10 JKGE CCc1nc([C@H](Cl)c2ccc(OC)c(I)c2)c(Br)s1 2269532910 CANVTWFXNZSEQQ-LLVKDONJSA-N 472.573 5.409 50 10 JKGE Fc1cccc(I)c1[C@@H](Cl)c1cc2sc(Br)cc2s1 2278098178 CJWIXHIABJDUPU-ZDUSSCGKSA-N 487.584 6.797 50 10 JKGE CCOc1cccc(NC(=O)C(C#N)=Cc2ccc(OCc3ccccc3)c(Br)c2)c1 2294193438 PCVDOPHUDPVPCG-UHFFFAOYSA-N 477.358 5.972 50 10 JKGE Fc1ccc(CCOc2c(Br)cc(Br)cc2CBr)cc1 2294753199 PSAAGCOBQSGRGV-UHFFFAOYSA-N 466.970 5.867 50 10 JKGE Cc1cc(C(F)(F)F)sc1[C@@H](Br)c1cc(Br)ccc1Br 2295057141 OFGOTYIQMWQFNK-NSHDSACASA-N 492.980 7.085 50 10 JKGE Brc1ccc(OCc2ccccc2)c([C@H](Br)C2CC3(COC3)C2)c1 2299503752 IHSMDMIVFNJBOK-LJQANCHMSA-N 452.186 5.891 50 10 JKGE FC(F)(F)C1([C@@H](Br)c2ccc(OCc3ccccc3)cc2Br)CC1 2299504975 RUQUNNWRBWDEBJ-INIZCTEOSA-N 464.119 6.807 50 10 JKGE CC1(C)[C@@H]([C@@H](Br)c2cc(Br)ccc2OCc2ccccc2)C1(F)F 2299529864 GSHAQQOMIHMOOV-DLBZAZTESA-N 460.156 6.755 50 10 JKGE O=C(N[C@@H](CCBr)COCc1ccccc1)c1cccc(Cl)c1Br 2303550895 QCUBYPLNHCJQBV-AWEZNQCLSA-N 475.608 5.203 50 10 JKGE N#CC(=Cc1cccc(OCc2ccc(Br)cc2)c1)C(=O)Nc1ccc(Cl)cc1 2313630654 CYJLHWOANHISAT-UHFFFAOYSA-N 467.750 6.227 50 10 JKGE CC1(C)CCC[C@@H]([C@@H](Br)c2cc(Br)ccc2OCc2ccccc2)O1 2314445370 OSSQYYKZUQFCLK-PMACEKPBSA-N 468.229 6.812 50 10 JKGE CC1(C)CCCC[C@@H]1[C@@H](Br)c1cc(Br)ccc1OCc1ccccc1 2314448565 IZDLOFOSQYKRDU-CTNGQTDRSA-N 466.257 7.681 50 10 JKGE Brc1ccc(OCc2ccccc2)c([C@H](Br)c2cc3sccc3s2)c1 2314450251 XPTSUHFMQMEORJ-FQEVSTJZSA-N 494.273 7.789 50 10 JKGE C=CCNC(=O)C(C#N)=Cc1cn(-c2ccccc2)nc1-c1ccc(OCCCC)c(Cl)c1 2314475980 GVGMQPAHQXRQBD-UHFFFAOYSA-N 460.965 5.581 50 10 JKGE Cc1cc(C)cc([C@H](Br)c2cc(Br)ccc2OCc2ccccc2)c1 2314491623 RUWALYVMYITKPL-QFIPXVFZSA-N 460.209 7.129 50 10 JKGE N#CC(=Cc1ccccc1OCC(=O)Nc1nccs1)c1nc(-c2cccc([N+](=O)[O-])c2)cs1 2314519661 XIKFXHSXMRXUGJ-UHFFFAOYSA-N 489.538 5.256 50 10 JKGE N#CC(=Cc1ccc(-c2ccc(Br)cc2)o1)c1nc(-c2cccc([N+](=O)[O-])c2)cs1 2314571505 GDQXOXJVHINVST-UHFFFAOYSA-N 478.327 6.805 50 10 JKGE CC(C)c1ccc(N2C(=O)[C@@H](Cc3ccccc3F)SC2=C(C#N)C(=O)NCc2ccccc2)cc1 2314593193 JCTCVHPNLQWCRA-AREMUKBSSA-N 499.611 5.692 50 10 JKGE Cc1nc(-c2ccc(F)c(F)c2)ccc1C(=O)NNC(=O)C=Cc1ccc(OCc2ccccc2)cc1 2321070520 XVAGNOWFOPQYQY-UHFFFAOYSA-N 499.517 5.389 50 10 JKGE COc1ccc(OC)c(C(C)=NNC(=O)c2ccc(-c3ccc(Cl)c(Cl)c3)nc2C)c1 2321281237 SKUQJGLZVSIZCJ-UHFFFAOYSA-N 458.345 5.535 50 10 JKGE CSCC[C@H](NC(=O)OC(C)(C)C)C(=O)NN=Cc1ccc(OCc2ccccc2Cl)cc1 2328796492 HCJWVMAZRHNWQF-NRFANRHFSA-N 492.041 5.016 50 10 JKGE COc1cc(C(O)=C(C#N)c2nc(-c3cccc4ccccc34)cs2)c([N+](=O)[O-])cc1OC 2331339740 CMTHYCUIVJIPSL-UHFFFAOYSA-N 459.483 5.839 50 10 JKGE COc1ccc(C(C)(C)C)cc1-c1csc(C(C#N)=C(O)c2cc(Cl)ccc2Cl)n1 2331351090 QDDASYBHDKQIPY-UHFFFAOYSA-N 459.398 7.373 50 10 JKGE COc1c(C)cc(C)cc1-c1csc(C(C#N)=C(O)CCCOc2ccc(Cl)cc2Cl)n1 2331375955 ACJQIWQZLGWHQK-UHFFFAOYSA-N 489.424 7.394 50 10 JKGE CCOc1ccc(OCC)c(-c2csc(C(C#N)=C(O)c3ccc(OC)c(OC)c3)n2)c1 2331376138 JBHFTCJRZMWFOW-UHFFFAOYSA-N 452.532 5.575 50 10 JKGE CCOc1ccc(OCC)c(-c2csc(C(C#N)=C(O)[C@H]3CC(=O)N(Cc4ccccc4)C3)n2)c1 2331376477 IGEATFUKNMONEV-IBGZPJMESA-N 489.597 5.449 50 10 JKGE Cc1ccc(C(C)(C)C)cc1-c1csc(C(C#N)=C(O)[C@@H]2CC(=O)N(Cc3ccccc3)C2)n1 2331396363 QKYYNYZJLZUOLO-HXUWFJFHSA-N 471.626 6.257 50 10 JKGE COc1ccc(C)cc1-c1csc(C(C#N)=Cc2cc(Br)c(O)c(OC)c2)n1 2331448978 XGGRYYXRPUKSCK-UHFFFAOYSA-N 457.349 5.668 50 10 JKGE CCOc1cc(C=C(C#N)c2nc(-c3ccc(OC)c(F)c3)cs2)ccc1OCc1ccccc1 2331455619 BJBRRIJQWDQPIB-UHFFFAOYSA-N 486.568 7.000 50 10 JKGE Cc1c(Cl)sc(Cl)c1[C@H](Cl)Cc1cc(Br)cc(Br)c1 2336088593 HWYJECQTWGEJAV-SNVBAGLBSA-N 463.449 7.411 50 10 JKGE Cc1cc(Br)c(F)c(Br)c1[C@H](Br)C1[C@@H]2CCCC[C@@H]12 2339646226 PDBJQITUZXQWGQ-KKFJDGPESA-N 455.003 6.531 50 10 JKGE Cc1cc(Br)c(F)c(Br)c1[C@@H](Br)C1(CC2CC2)CC1 2339657116 UZBSFOIUQGAEQY-CQSZACIVSA-N 455.003 6.675 50 10 JKGE Cc1cc(Br)c(F)c(Br)c1[C@H](Br)[C@H]1CCCC[C@@H]1C 2339680158 TYMSHWRJGYSWGX-GMOODISLSA-N 457.019 6.921 50 10 JKGE Clc1ccc(CN2CC[C@@H](Br)CC23CCC3)c(I)c1 2341009187 INSCOJBQUPHICN-GFCCVEGCSA-N 454.577 5.227 50 10 JKGE Clc1cc(Br)c([C@@H](Br)C[C@H]2CCC[C@@H]3C[C@H]23)c(Cl)c1Cl 2358398981 OFJCRQKUVKYVMQ-IMSYWVGJSA-N 461.452 7.672 50 10 JKGE Fc1cc(Br)c(Br)cc1[C@@H](Br)[C@@H]1C[C@H]1C1CCCCC1 2358562130 OBSINOIQPMHJLU-USBNGQNGSA-N 469.030 7.003 50 10 JKGE Fc1c(Br)cc(Cl)c([C@H](Br)[C@H]2C[C@@H]3CC[C@H](C2)O3)c1Br 2362227285 CKXGZZRGZFKTIJ-HZLHGAJGSA-N 491.420 6.398 50 10 JKGE Fc1ccc(Cl)c([C@@H](Cl)c2c(Cl)cc(Br)c(F)c2Br)c1 2362235828 AKDTWMABLRJUCB-GFCCVEGCSA-N 465.346 7.125 50 10 JKGE C[C@@H](Br)C[C@@H]1CCCCN1C(=O)c1ccc(Cl)cc1I 2365588787 NUSSUIIJIXDQFB-PWSUYJOCSA-N 470.576 5.113 50 10 JKGE CC(C)(C)OC(=O)N1CCC[C@@](CI)(OCc2cccc(C3CCC3)c2)C1 2369868922 CHBBZBVGQAFPAD-QFIPXVFZSA-N 485.406 5.675 50 10 JKGE CCc1cc(Br)c(OC)c([C@H](Br)c2cc(Br)c(C)s2)c1 2381246768 RGUZUMKNRDWVGU-AWEZNQCLSA-N 483.063 6.637 50 10 JKGE COc1cc([C@H]2C(C#N)=C(N)OC3=C2C(=O)C[C@H](c2ccccc2)C3)ccc1OCc1ccccc1 1010029 QQNMHTHRXCYVLC-DWACAAAGSA-N 478.548 5.483 50 10 JKGE CCC(CC)c1ccc(OCC(=O)N/N=C/c2cc([N+](=O)[O-])ccc2N2CCCCC2)cc1 20074368 JAKUYDJHYMZGFI-YZSQISJMSA-N 452.555 5.018 50 10 JKGE N#C/C(=C/c1c(-c2ccc(Cl)cc2Cl)nc2sc3c(n12)CCCC3)c1cccc(Cl)c1 33706609 UHEBWDZUYBHRLX-PTNGSMBKSA-N 484.839 7.966 50 10 JKGE CCOc1cc(/C=C(/C#N)C(=O)Nc2cc(Cl)cc(Cl)c2)ccc1OCc1ccc(C)cc1 34914593 GRHAFDZMXDDIGT-JMIUGGIZSA-N 481.379 6.825 50 10 JKGE CCCOc1ccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)COc4cc(C)cc(C)c4)ccc32)cc1 38650692 IRSOJEXLMPWWHK-NDEPHWFRSA-N 484.552 5.295 50 10 JKGE COc1cc(/C=C(\C#N)c2nc(-c3cccc4ccccc34)cs2)ccc1OCc1ccccc1 39794834 CTHLDKQUMXAFAG-LFVJCYFKSA-N 474.585 7.615 50 10 JKGE Cc1c(C(=O)Nc2cc(Cl)cc(Cl)c2)oc2c1/C(=N/NC(=O)c1ccccc1O)CCC2 40826373 QHTSWKSNOUFEBP-WPWMEQJKSA-N 472.328 5.323 50 10 JKGE CCOc1cc(/C=N/NC(=O)CSc2nc(-c3ccc(Cl)cc3)cs2)ccc1OC 40924886 RWRUJHRFLWOZEH-FOKLQQMPSA-N 461.996 5.113 50 10 JKGE CCCCNC(=O)/C(C#N)=C/c1ccc(OC(=O)COc2ccc(Br)cc2C(C)C)cc1 40992841 CUJJGLCMVSQWIO-CPNJWEJPSA-N 499.405 5.380 50 10 JKGE O=C(N/N=C(/CSc1nc2ccccc2o1)c1ccc(Br)cc1)c1ccccc1O 59460779 VUCZQZZHUJVBHA-BWAHOGKJSA-N 482.359 5.222 50 10 JKGE C=CCc1cc(/C=N/NC(=O)c2cc3ccccc3o2)cc(OC)c1OCc1ccc2c(c1)OCO2 59680390 ZQELCSVGWXOEFK-WKULSOCRSA-N 484.508 5.242 50 10 JKGE CNC(=O)/C(C#N)=C1/SC=C(c2ccc(-c3ccc([N+](=O)[O-])cc3Cl)o2)N1c1ccccc1 102958235 PVYBCCOMKUVJRQ-HAVVHWLPSA-N 478.917 5.541 50 10 JKGE COc1cc(C)c(Br)cc1[C@@H](Br)c1ccc(F)cc1Br 115866786 QOJLZKSGUJFNPA-HNNXBMFYSA-N 466.970 6.152 50 10 JKGE Fc1ccc(C[C@H](CBr)c2cccc(Br)c2)c(Br)c1 118661204 CYDQSPYNDJRKQJ-GFCCVEGCSA-N 450.971 6.072 50 10 JKGE CCn1nc(C)c(Br)c1C[C@@H](CBr)c1cccc(Br)c1 118859344 IMSBAMFZBBAZHU-LBPRGKRZSA-N 465.027 5.458 50 10 JKGE CCc1nn(C)c(C[C@H](CBr)c2ccccc2Br)c1Br 118867645 QJXRKAQCKUNAPM-SNVBAGLBSA-N 465.027 5.229 50 10 JKGE Clc1cccc(CC(CBr)(CBr)c2ccccc2Br)c1 118878950 GEWUTDNMCUSGOT-UHFFFAOYSA-N 481.453 6.373 50 10 JKGE O=C1Cc2cc([C@H](Br)c3cc(Br)c(Br)s3)ccc2N1 128863207 GZUHIHUSSHPGCA-LBPRGKRZSA-N 465.992 5.252 50 10 JKGE Fc1cccc(Br)c1[C@@H](Cl)c1cc(Br)sc1Br 161185487 LHNWRLKFSGDAHP-JTQLQIEISA-N 463.391 6.503 50 10 JKGE C[C@@H]1C[C@H](O[C@@](C)(CI)c2ccccc2Br)CC(C)(C)C1 162133878 DRJARXQBDMDOOM-GLJUWKHASA-N 465.213 6.331 50 10 JKGE Clc1cccc(Cl)c1[C@H](Br)c1csc2c(Br)cccc12 163521990 WOSDKECKJUVEHY-CQSZACIVSA-N 451.010 7.455 50 10 JKGE O=[N+]([O-])c1cccc(Oc2ccc(Br)cc2CBr)c1Br 232479399 URIFQGDSWHCOSG-UHFFFAOYSA-N 465.923 5.807 50 10 JKGE COc1cc(F)c([C@H](Br)c2ccc(F)cc2I)c(F)c1 235002615 LJUHMYSJXLCPOL-CQSZACIVSA-N 457.027 5.201 50 10 JKGE Cl[C@@H](Cc1nc2ccccc2o1)c1cc(I)ccc1Br 236025729 YELMVFKINMZPRB-LBPRGKRZSA-N 462.512 5.718 50 10 JKGE CC(C)(C)c1ccc(-c2nnc(SCC(=O)NN=Cc3ccccc3F)n2-c2ccccc2)cc1 254501641 SGYRYQKREMLYOQ-UHFFFAOYSA-N 487.604 5.613 50 10 JKGE C=CCOc1ccc(C(=O)NN=Cc2ccc(OC(=O)c3ccc(OCC)cc3)c(OCC)c2)cc1 254513431 IYZMVQLZWCABEL-UHFFFAOYSA-N 488.540 5.032 50 10 JKGE CCC(C)(C)c1ccc(OCCCC(=O)NN=C(C)c2ccc(Cl)s2)c(C(C)(C)CC)c1 254578997 KXLXATJHNRGWPG-UHFFFAOYSA-N 477.114 7.476 50 10 JKGE CC(C)(C)CC(C)(C)c1ccc(OCC(=O)NN=C/C(Br)=C\c2ccccc2)cc1 254634617 WMHXTZRGNNSUPG-MFNUKGMISA-N 471.439 6.317 50 10 JKGE O=C(NN=Cc1cn(-c2ccccc2)nc1-c1ccc(OC(F)F)cc1)C12CC3CC(CC(C3)C1)C2 254736306 KQYBVAWOPMEEBP-UHFFFAOYSA-N 490.554 5.807 50 10 JKGE COC(=O)c1c(NC(=O)NN=Cc2ccc(OCc3ccccc3)c(OC)c2)sc2c1CCCC2 256017526 QRVKDODBASUXEP-UHFFFAOYSA-N 493.585 5.157 50 10 JKGE COc1cc(C=NNC(=O)[C@@H](C)Oc2cc(C)c(Cl)c(C)c2)ccc1OCc1ccccc1 256017536 RCLZTBGZBLHEGM-LJQANCHMSA-N 466.965 5.462 50 10 JKGE CC(C)(C)OC(=O)N1CCC[C@](CI)(OCC2CCCCCC2)C1 304216019 QLSUJXLNLJCPKC-LJQANCHMSA-N 451.389 5.178 50 10 JKGE BrCc1csc2ccc(I)c(I)c12 306605349 FXMVOOLSFOZTGU-UHFFFAOYSA-N 478.918 5.005 50 10 JKGE CC(C)(C)OC(=O)[C@@H](CCBr)NC(=O)OCC1c2ccccc2-c2ccccc21 309696033 SNHKLINVPJFJDM-HXUWFJFHSA-N 460.368 5.020 50 10 JKGE Cc1ccc(I)cc1-n1c(CCl)nc2ccc(Br)cc21 312648715 UQQGNFGCHIVPNJ-UHFFFAOYSA-N 461.528 5.440 50 10 JKGE Cc1cc(C)c([C@H](Cl)c2cc(Br)sc2Br)c(C)c1Br 381783682 FHZGBDNZYQJUES-CYBMUJFWSA-N 487.482 7.289 50 10 JKGE O=C(OCc1ccccc1)N1C[C@H](c2c(F)cccc2Br)[C@@H](CBr)C1 382698414 YVGVVWPDQBFOCQ-GJZGRUSLSA-N 471.164 5.335 50 10 JKGE C[C@H](Br)CC(C)(C)CNC(=O)c1cc(Br)cc(Br)c1 393553469 KLAIBMFHJCQMIG-VIFPVBQESA-N 456.016 5.141 50 10 JKGE CC1(C)C[C@H](NC(=O)c2cc(Br)ccc2Br)C[C@H](Br)C1 693897499 SZFXBSSCRVRZFY-WDEREUQCSA-N 468.027 5.284 50 10 JKGE N#Cc1cccc2c1nc(CCl)n2CC1(N(Cc2ccccc2)Cc2ccccc2)COC1 705868929 FMXIEUORGFOPMM-UHFFFAOYSA-N 456.977 5.118 50 10 JKGE Brc1cc([C@H](Br)c2ccc3c(c2)CCC3)ccc1I 721607463 ZEDPSLAOJZLHKB-MRXNPFEDSA-N 491.992 6.027 50 10 JKGE Fc1cc(C[C@H](CBr)Cc2ccc(Br)cc2)ccc1Br 722014155 HZDUGRIWZDMZLB-CYBMUJFWSA-N 464.998 6.147 50 10 JKGE Cc1sc([C@H](Br)c2ccccc2I)c(C)c1Br 724915195 OPASJOWKCJMVTD-GFCCVEGCSA-N 486.010 6.216 50 10 JKGE COc1cc(/C=C(\C#N)C(=O)Nc2cccc(Cl)c2Cl)c(Br)cc1OCC#N 1083978426 KEENRVBNZOMNDD-KPKJPENVSA-N 481.133 5.213 50 10 JKGE N#C/C(=C\c1cn(Cc2cccc3ccccc23)c2ccccc12)C(=O)N1CCN(c2ccccc2)CC1 1084171314 QQOWZOHWKHJVQE-SZXQPVLSSA-N 496.614 6.099 50 10 JKGE CCCOc1ccc([C@@H]2C(C#N)=C(N)Oc3c2c(CC)nn3Cc2c(F)cccc2Cl)cc1 1865693036 HJEQGXKSGZNZRA-JOCHJYFZSA-N 466.944 5.293 50 10 JKGE CCCc1nn(-c2ccc(C)cc2)c2c1[C@@H](c1ccc(OCc3ccc(C)cc3)cc1)C(C#N)=C(N)O2 1865693096 LDJJPOBZLGPOPB-NDEPHWFRSA-N 490.607 6.239 50 10 JKGE COc1cccc([C@@H]2C(C#N)=C(N)Oc3c2c(-c2ccccc2)nn3Cc2ccc(Cl)cc2)c1OC 1865700736 CFQPRSSIOUUWLO-HSZRJFAPSA-N 498.970 5.487 50 10 JKGE CCCOc1ccccc1[C@@H]1C(C#N)=C(N)Oc2c1c(-c1ccccc1)nn2Cc1cc(C)ccc1C 1865703626 XJBBCMHKUSSATK-HHHXNRCGSA-N 490.607 6.222 50 10 JKGE N#CC1=C(N)Oc2c(c(-c3ccccc3)nn2-c2ccccn2)[C@@H]1c1ccc(C(F)(F)F)cc1 1865711277 UTRKAGPUFVUPGZ-HXUWFJFHSA-N 459.431 5.171 50 10 JKGE COc1cccc([C@@H]2C(C#N)=C(N)Oc3c2c(-c2ccccc2)nn3-c2cccc3ccccc23)c1 1865711744 HFTKEDQHLVCIQZ-AREMUKBSSA-N 470.532 5.919 50 10 JKGE COc1cc2c(cc1OC)[C@H](c1ccc(C(F)(F)F)cc1)N(C(=O)/C(C#N)=C/c1ccccc1)CC2 1868112969 HEINVZGBWPDDIW-SOKSQLDISA-N 492.497 5.804 50 10 JKGE CCCCOc1ccc(/C(O)=C(\C#N)c2nc(-c3ccc(Cl)cc3Cl)cs2)cc1OCC 1872744859 LQDWODFXFDYJBM-NKFKGCMQSA-N 489.424 7.644 50 10 JKGE N#C/C(=C(O)\C(=C/c1ccccc1)c1ccccc1)c1nc(-c2ccc(Br)cc2)cs1 1872746588 OMEWHRJYFRLNJM-FVYVNUNNSA-N 485.406 7.606 50 10 JKGE COc1cc(/C(O)=C(\C#N)c2nc(-c3ccc(Cl)c(Cl)c3)cs2)c([N+](=O)[O-])cc1OC 1872749104 BBZONXKEKDPCNZ-UNOMPAQXSA-N 478.313 5.992 50 10 JKGE COc1ccc(C(C)(C)C)cc1-c1csc(/C(C#N)=C(\O)c2cc(OC)c(OC)c(OC)c2)n1 1872751401 GNYSGOQAWOUJEB-NKFKGCMQSA-N 480.586 6.092 50 10 JKGE CCc1cccc(C)c1N1C[C@H](/C(O)=C(\C#N)c2nc(-c3ccc(C(C)C)cc3)cs2)CC1=O 1872751981 JQHDFWWTBDSGPO-SZWCJKGDSA-N 471.626 6.650 50 10 JKGE CCCCCCCOc1ccc(-c2csc(/C(C#N)=C(\O)c3ccccc3Br)n2)cc1 1872753317 RBKOMTIYGOACEA-FLFQWRMESA-N 497.458 7.872 50 10 JKGE COc1ccc(-c2csc(/C(C#N)=C(\O)[C@@H]3CC(=O)N(Cc4ccccc4)C3)n2)cc1Cl 1872757402 DJEJZHBFWVPJRC-USMQXWLVSA-N 465.962 5.313 50 10 JKGE COC(=O)c1ccccc1N1C[C@H](/C(O)=C(\C#N)c2nc(-c3ccc(Cl)s3)cs2)CC1=O 1872758169 OBIGOMSBSBMWBD-KMCFQHSYSA-N 485.974 5.157 50 10 JKGE CCOc1cc(/C=C(\C#N)c2nc(-c3ccccc3OC)cs2)cc(Br)c1O 1872784727 YHBKYWYAECFQSV-RIYZIHGNSA-N 457.349 5.750 50 10 JKGE CCCN[C@@H](c1cc(Br)c(C)cc1Br)C1CC(Br)C1 1887742418 MRMRGBQGBBKZCS-QKFMDRJYSA-N 454.044 5.734 50 10 JKGE O=C(N[C@@H](CCCl)COCc1ccccc1)c1scc(Br)c1Br 1902962588 XVZNWERFYXUOOP-LBPRGKRZSA-N 481.637 5.217 50 10 JKGE C[C@@H]1CC[C@H](Cc2ccc(I)c(Br)c2)[C@@H]1Br 1904327821 AZCGSLQYDFXMPB-ZDSQKVDBSA-N 457.975 5.406 50 10 JKGE C[C@@H](c1cccs1)N(Cc1ccccc1)S(=O)(=O)c1ccc(CBr)cc1 1914881428 XEMJFQOJVCZJNI-INIZCTEOSA-N 450.423 5.595 50 10 JKGE O=C(c1cc(F)ccc1Br)N(Cc1ccccc1)C1(CBr)CCC1 1915757258 XJKMQZWXJJPCAS-UHFFFAOYSA-N 455.165 5.548 50 10 JKGE CC[C@@H](C[C@@H](Br)c1sc(Br)c(C)c1Br)C(C)(C)C 1922912847 RKYRBBJNKUSYSX-VHSXEESVSA-N 461.101 7.480 50 10 JKGE Cc1c(Br)sc([C@@H](Br)c2cc(F)cc(F)c2)c1Br 1922954083 KTVVACLALVKNRK-JTQLQIEISA-N 460.963 6.344 50 10 JKGE Clc1c(Br)sc(Br)c1[C@@H](Br)[C@@H]1C[C@H]2CC[C@@H]1O2 1923065320 AXUQMHGENIDLEO-NRFSWKIWSA-N 465.432 5.930 50 10 JKGE Fc1cccc(F)c1C[C@@H](Cl)c1c(Br)sc(Br)c1Cl 1923065534 DOLBRTGFLPBVCK-ZCFIWIBFSA-N 450.957 6.727 50 10 JKGE CCc1occ(C)c1[C@@H](Br)c1c(Br)sc(Br)c1Cl 1923074157 HYNXPMIQZQSSAE-SECBINFHSA-N 477.443 6.875 50 10 JKGE Cc1cc([C@@H](Cl)c2c(Br)sc(Br)c2Br)c(C)o1 1924584198 UZGMALFKTWCWMA-SECBINFHSA-N 463.416 6.574 50 10 JKGE Brc1cccnc1C[C@@H](Br)c1cscc1OCc1ccccc1 1939522369 RFJNGPXPJCWWPA-MRXNPFEDSA-N 453.199 6.163 50 10 JKGE Cc1sc(Br)c(C(=O)N(Cc2ccccc2)[C@@H](C)CCBr)c1C 1939961882 CFHLVUSFCFVYAC-LBPRGKRZSA-N 459.247 5.943 50 10 JKGE COc1sc([C@@H](Br)c2cc(I)sn2)cc1Br 1983292945 NDJAHCWOTXTUCO-QMMMGPOBSA-N 494.999 5.065 50 10 JKGE O=S(=O)(c1cc(CBr)ccc1Br)N(Cc1ccccc1)C1CCC1 2009658853 VCQIUBAZARSNCP-UHFFFAOYSA-N 473.230 5.087 50 10 JKGE CCN(C[C@@](C)(CI)OC1CC(C(C)(C)C)C1)C(=O)OC(C)(C)C 2011639593 YAIGPBBBPQASBA-JFIBYHEFSA-N 453.405 5.278 50 10 JKGE C[C@]1([C@@H](Cl)c2c(Br)sc(Br)c2Br)CCCOC1 2015962626 DXHCLQUBTPCLTG-KWQFWETISA-N 467.448 6.132 50 10 JKGE CN(C(=O)c1csc(Br)c1Br)[C@@H]1CCCC[C@@H]1Br 2032954166 XZYMBVCPMCPONB-DTWKUNHWSA-N 460.029 5.051 50 10 JKGE Cn1nc([C@H](Cl)c2cc(Br)ccc2Br)c(Br)c1Cl 2048152867 ZYLJYUZJZXEIKM-SECBINFHSA-N 477.809 5.689 50 10 JKGE CO[C@@H]1C[C@H]([C@H](Br)c2cc(Br)sc2Br)C12CCC2 2070187064 ZUFQGUUKBSZSGX-FXPVBKGRSA-N 459.041 5.914 50 10 JKGE BrCc1c(Br)cccc1N1CCCN(Cc2ccccc2)CCOCC1 2088628386 NJLVTIXTHJIQKT-UHFFFAOYSA-N 482.260 5.073 50 10 JKGE Brc1ccc(Br)c([C@H](Br)[C@@]23CCCC[C@@H]2CCC3)c1 2092627346 NZSDWFOCMVMFSC-XFBWCDHKSA-N 451.040 7.008 50 10 JKGE FC1(F)C2(CCC2)[C@@]1(CBr)Cc1cc(Cl)ccc1I 2093464562 DKWFUWBBUGZXBH-ZDUSSCGKSA-N 461.515 5.688 50 10 JKGE Cc1cc([C@H](Br)c2c(Br)cccc2Br)cc(C)c1F 2094090390 GVYPGAVNMUFJLN-AWEZNQCLSA-N 450.971 6.452 50 10 JKGE Fc1cccc([C@@H](Br)CCc2c(Br)cccc2Br)c1 2113381850 OJRPNNOBIOGFIZ-ZDUSSCGKSA-N 450.971 6.420 50 10 JKGE CO[C@]1(C(F)(F)F)C[C@H]([C@@H](Br)c2cc(Br)c(Br)s2)C1 2125551258 INAWPZKXBHFASR-RHFNHBFPSA-N 486.973 6.067 50 10 JKGE Fc1cc(Br)c([C@H](Br)c2cccc(Br)c2)c(F)c1Cl 2136965826 COTZVMDDVMPUJJ-LLVKDONJSA-N 475.352 6.628 50 10 JKGE BrCc1cc(Br)cc(Br)c1OC[C@H]1CC[C@H]2C[C@H]1CO2 2144240330 OWMINWNLEUEGBR-CDMKHQONSA-N 469.011 5.300 50 10 JKGE C[C@H]1CCC[C@@](CBr)(NC(=O)c2c(Br)cccc2Br)C1 2150491358 NVHVENBKOGOQIN-ZUZCIYMTSA-N 468.027 5.285 50 10 JKGE CC(C)(C)[C@@H]1CC[C@@H](Br)[C@@H](Cc2c(Br)cccc2Br)C1 2150493186 JJIAIPFKVOPRMB-YRGRVCCFSA-N 467.083 6.980 50 10 JKGE Cc1sc(Br)cc1[C@H](Br)c1cc(Br)cc2c1OCCC2 2152048495 WEQBYJZCNQOSNJ-AWEZNQCLSA-N 481.047 6.391 50 10 JKGE Clc1c(Br)ccc(CBr)c1N1CCc2c(Br)cccc21 2154369700 WZFPRBFLVZPODJ-UHFFFAOYSA-N 480.425 6.454 50 10 JKGE Cc1sc(Br)c([C@@H](Br)c2cc(Cl)c(Cl)c(Cl)c2Cl)c1C 2157253951 AKPMJNFXOWYSBV-VIFPVBQESA-N 497.894 8.225 50 10 JKGE BrCc1cc(Br)cc(Br)c1OC[C@H]1CC2(CCC2)CO1 2166423249 MWPXXAAYXSYJPY-GFCCVEGCSA-N 469.011 5.445 50 10 JKGE FC(F)(F)c1ccc([C@H](Cl)c2cc(Br)sc2Br)c(Cl)c1 2179252939 RKSDCAWOXDTCMZ-JTQLQIEISA-N 468.947 7.274 50 10 JKGE Cc1c(Br)ccc([C@H](Br)[C@H]2CCCCCC2(F)F)c1Br 2203707327 VLAHFWBFWYOIDQ-RISCZKNCSA-N 475.009 7.172 50 10 JKGE CC[C@@H]([C@H](Br)c1cc(Br)c(Br)cc1F)C(C)(F)F 2218596808 HUPNTSTZQWRSAO-WRWORJQWSA-N 452.934 6.468 50 10 JKGE Cc1cc(Br)c([C@H](Cl)c2ccccc2OCc2ccccc2)c(C)c1Cl 2224319650 GGVZTCKBBALPEJ-JOCHJYFZSA-N 450.203 7.627 50 10 JKGE Cc1ccc([C@H](Cl)c2cc(F)c(Br)cc2F)cc1I 2224622801 VWAFHSDLEBOSDY-AWEZNQCLSA-N 457.483 5.969 50 10 JKGE Cc1cc(Br)c([C@H](Br)C[C@@H]2OCC[C@@H]2C)c(C)c1Br 2227347068 GRDXDMWJLNPWNI-CKLFPEKLSA-N 455.028 6.080 50 10 JKGE Cc1cc(Br)c([C@@H](Br)[C@H]2COC(C)(C)C2)c(C)c1Br 2227350701 YBMHIIFVXMFTOI-YGRLFVJLSA-N 455.028 6.080 50 10 JKGE Fc1ccc([C@@H](Br)c2c(Br)cc(Cl)c(Cl)c2Cl)cc1Cl 2232511083 ITFHQICVGUEOQN-LLVKDONJSA-N 481.801 7.686 50 10 JKGE COc1c(C(C)C)cc(Br)cc1[C@@H](Cl)c1csc(I)c1 2233170011 YVQJIFDJGWQIRK-AWEZNQCLSA-N 485.612 6.575 50 10 JKGE Cc1ccc(Br)c([C@H](Cl)c2c(Br)cc(C)c(Br)c2C)c1 2235603369 IXFFPLCSTRYRCS-INIZCTEOSA-N 481.453 7.228 50 10 JKGE CC(C)CN(C[C@@H](C)Br)C(=O)c1cc(Br)c(Br)s1 2259749004 KKAZRVMRSGIIMN-MRVPVSSYSA-N 462.045 5.155 50 10 JKGE Cc1c(Br)sc([C@H](Cl)c2cc(F)c(Br)cc2F)c1Br 2267241008 FKSKFQWXFBWLPX-SNVBAGLBSA-N 495.408 6.950 50 10 JKGE Fc1cc(Br)c(F)c(Br)c1[C@H](Br)CCOCC(F)F 2272742233 XFIYXEKLYKEYNC-RXMQYKEDSA-N 472.896 5.598 50 10 JKGE Fc1cc(C[C@H](Br)c2ccc(I)c(Cl)c2)ccc1Cl 2277790783 HQYNZGNZYHSQIQ-JTQLQIEISA-N 473.938 6.416 50 10 JKGE COc1cc(F)c([C@@H](Cl)c2c(F)cccc2I)cc1Br 2282896175 GKGAMIGKFVFDLH-CQSZACIVSA-N 473.482 5.669 50 10 JKGE Fc1cc([C@@H](Cl)Cc2ccc(Br)cc2Cl)c(Cl)cc1Br 2282969585 DZNOPWBKJGYJEI-LBPRGKRZSA-N 461.383 7.180 50 10 JKGE COc1c([C@H](Br)c2ncsc2Br)cc(Br)c2c1CCC2 2284592104 ARARBVTVBMZKFH-NSHDSACASA-N 482.035 5.650 50 10 JKGE Fc1ccc(I)c(-n2c(CCl)nc3cc(Br)ccc32)c1 2287299632 DUJSODAMWAIIMV-UHFFFAOYSA-N 465.491 5.271 50 10 JKGE CCCCCCOc1ccc(C=C(C#N)C(=O)Nc2sc3c(c2C(N)=O)CCCC3)cc1OC 2293180163 XVIUELCBUSTERK-UHFFFAOYSA-N 481.618 5.239 50 10 JKGE CCOc1cc(C=C(C#N)C(=O)NCc2ccco2)ccc1OCCOc1ccc(C(C)(C)C)cc1 2293559184 IDCJRKFDQBZGDQ-UHFFFAOYSA-N 488.584 5.657 50 10 JKGE COc1cc(C=C(C#N)c2ccc(Cl)cc2)c(Br)cc1OCc1ccc(Cl)cc1 2294619933 NXVDXIVSUFWBGF-UHFFFAOYSA-N 489.196 7.408 50 10 JKGE C[C@@H]1C[C@H](C(F)(F)F)N(CCCCCCCBr)CCN1C(=O)OC(C)(C)C 2294697536 SBWNIEKDRPXZKE-HZPDHXFCSA-N 459.391 5.594 50 10 JKGE FC(F)(F)c1sccc1[C@@H](Br)c1cc2sc(Br)cc2s1 2295518132 SYSUMUVAHCDFSC-SNVBAGLBSA-N 462.175 7.290 50 10 JKGE CCOc1ccc(-c2csc(C(C#N)=CNc3ccc(C(=O)OCCN(CC)CC)cc3)n2)cc1 2296048035 MMOSYVYJEXOYNT-UHFFFAOYSA-N 490.629 5.684 50 10 JKGE C[C@H](C1CCCC1)[C@@H](Br)c1cc(Br)ccc1OCc1ccccc1 2299531678 YENISXAGQLLFQC-QVKFZJNVSA-N 452.230 7.290 50 10 JKGE FC(F)(CC1CC1)[C@H](Br)c1ccc(OCc2ccccc2)cc1Br 2299535026 KNWBYKUBSRODOL-GOSISDBHSA-N 460.156 6.900 50 10 JKGE CCOc1cc(C=C(C#N)c2ccc([N+](=O)[O-])cc2)cc(Cl)c1OCc1ccccc1Cl 2313541065 OWUZNAOWFDPOTM-UHFFFAOYSA-N 469.324 6.943 50 10 JKGE Clc1ccc([C@H](Cl)c2ccc(OCc3ccccc3)cc2Br)c(Cl)c1 2314452961 SANSBPWENIKLGF-HXUWFJFHSA-N 456.594 7.663 50 10 JKGE CCCNC(=O)C(C#N)=Cc1ccc(OC(=O)CCCOc2ccc(C(C)C)c(C)c2)c(OC)c1 2314808188 UXISQQSJQHSREY-UHFFFAOYSA-N 478.589 5.325 50 10 JKGE CCCC[C@H](C)[C@@H](Br)c1c(Cl)cc(Br)c(F)c1Br 2315445859 QLBVQTWBOANMHC-WRWORJQWSA-N 465.426 7.266 50 10 JKGE CN[C@@H](c1c(Cl)cc(Br)c(F)c1Br)C1CC(Br)C1 2315458277 LAOLSABRQCNCSA-REFSAOSRSA-N 464.398 5.438 50 10 JKGE CCc1ccc(-c2ccc(C(=O)NNC(=O)C=Cc3ccc(Cl)cc3Cl)c(C)n2)cc1 2321139474 OWFZMWVOEPMXFF-UHFFFAOYSA-N 454.357 5.401 50 10 JKGE CCOc1ccc(C)cc1[C@@H](C)NC(=O)C(C#N)=CNc1ccccc1Sc1ccccc1 2325072347 NYGURJCSROFILS-HXUWFJFHSA-N 457.599 6.242 50 10 JKGE CC[C@@]1(C)[C@@H](Br)CCN1Cc1ccc(I)c(Br)c1 2325214228 NRVYWJDIEABQGN-KBPBESRZSA-N 487.017 5.192 50 10 JKGE Cc1cc(I)ccc1NC(=O)C(C#N)=CN(c1ccccc1)c1ccc(N)cc1 2325406472 PFTFPEGFHFNLRF-UHFFFAOYSA-N 494.336 5.366 50 10 JKGE CC(C)C[C@H](NC(=O)OC(C)(C)C)C(=O)NN=Cc1ccc(OCc2cccc(Cl)c2)cc1 2328796478 AJIIBZBMPDOTKP-QFIPXVFZSA-N 474.001 5.309 50 10 JKGE COc1ccc(C=CC(O)=C(C#N)c2nc(-c3cc(OC)c(Cl)cc3OC)cs2)cc1 2331377018 YNINRYRLHAKJPK-UHFFFAOYSA-N 454.935 5.995 50 10 JKGE N#CC(=C(O)Cc1ccc(OCc2ccccc2)cc1)c1nc(-c2ccc(Cl)s2)cs1 2331399911 MTWFYHUJWKNLMK-UHFFFAOYSA-N 464.999 7.139 50 10 JKGE CC(C)(C)c1ccc(-c2csc(C(C#N)=Cc3ccc(OCc4ccccc4)cc3)n2)cc1 2331453414 QYEURRVOKWHUJH-UHFFFAOYSA-N 450.607 7.751 50 10 JKGE COc1ccc([C@H](Cl)c2ccc(OCc3ccccc3)cc2Br)cc1Cl 2336042805 XUOMEDRKVWHBMC-NRFANRHFSA-N 452.175 7.018 50 10 JKGE Brc1ccc(OCc2ccccc2)c([C@H](Br)[C@@H]2C[C@@H]2C2CCCCC2)c1 2336075385 OZISRJVTPXAPDJ-TXTKFYIRSA-N 478.268 7.681 50 10 JKGE CC1(C)COC[C@@H]1[C@H](Br)c1c(Br)cc(Cl)c(Cl)c1Cl 2336199839 GHEPVLXQFNHJGI-LDWIPMOCSA-N 451.413 6.518 50 10 JKGE Fc1c(Br)cc(Cl)c([C@H](Br)COCC(F)(F)F)c1Br 2337092341 OVNVIVJVKWVRHR-RXMQYKEDSA-N 493.314 6.019 50 10 JKGE Clc1ccc(CN2CC3(CCC3)C[C@@H]2CBr)cc1I 2337225399 LJFRSHLEBMMPGO-GFCCVEGCSA-N 454.577 5.084 50 10 JKGE FC(F)(F)C12CC([C@@H](Br)c3cc(Br)c(Br)s3)(CO1)C2 2338586105 JNUDPTAXJQIYMB-WFRXLMHJSA-N 484.957 5.821 50 10 JKGE COc1c(Br)cc(C)c([C@@H](Br)C(C)(C)C(F)F)c1Br 2339689654 FGNFOTMEKAWOOH-LLVKDONJSA-N 464.970 6.256 50 10 JKGE CN(Cc1ccc(Cl)cc1I)[C@H]1CCCCC[C@@H]1Br 2341047794 HUOZTUXXKBPYHK-ZFWWWQNUSA-N 456.593 5.473 50 10 JKGE Fc1cccc(CBr)c1OCc1cc(I)ccc1Cl 2352419283 GSKVYOFUGOEAGB-UHFFFAOYSA-N 455.492 5.558 50 10 JKGE Fc1c(Br)cc(Cl)c([C@@H](Br)[C@H]2C[C@@H]3CCC[C@@H]3C2)c1Br 2362232933 UATSSNDUTDAQDR-ZZIUEJKTSA-N 489.448 7.266 50 10 JKGE COc1c(Br)cc(C)c([C@H](Br)[C@]23CCC[C@@H]2CC3)c1Br 2365175121 DCWYTPSNUSPWMM-VFVAKGGASA-N 467.039 6.545 50 10 JKGE Cc1cc(Br)c(F)c(Br)c1[C@H](Br)[C@@H]1CC[C@@H]2[C@@H]1C2(F)F 2365224452 YLFMXXHBIXYFGJ-JJHYMCDRSA-N 476.956 6.386 50 10 JKGE Cc1cc(Br)c(F)c(Br)c1[C@@H](Br)C[C@@H]1C[C@H]1C(F)(F)F 2365224854 CLGHYHGERMRIQW-RNJXMRFFSA-N 482.935 6.684 50 10 JKGE Clc1cc(Cl)cc(CC[C@H](Br)c2ccc(Br)cc2Cl)c1 2366890843 TXCIKPJYNIMUJK-AWEZNQCLSA-N 457.420 7.478 50 10 JKGE CC(C)C[C@H](CBr)CN1C[C@H]2CC(F)(F)CC[C@]2(NC(=O)OC(C)(C)C)C1 2382180740 IYZPLSWYIBKISU-MDZRGWNJSA-N 453.412 5.058 50 10 JKGE COc1ccc(/C=N/NC(=O)CCc2c[nH]c3ccccc23)cc1COc1cc(C)c(Cl)c(C)c1 1949549 ZHGDZPYOVZOKAP-IBBHUPRXSA-N 490.003 6.109 50 10 JKGE CC[C@H](Oc1ccc(-c2ccccc2)cc1)C(=O)NNC(=O)COc1cc(C)c(Cl)c(C)c1 14768288 UATYXYJFSRVTFE-QHCPKHFHSA-N 466.965 5.008 50 10 JKGE COc1ccc(/C(C#N)=C\c2ccc(OC(=O)/C=C/c3ccc([N+](=O)[O-])cc3)c(OC)c2)cc1OC 31902096 XNNCZSHQGGTTTB-GXOHKFNASA-N 486.480 5.304 50 10 JKGE CCCOc1ccc(/C=C(/C#N)C(=O)Nc2scc(-c3ccc(C)c(C)c3)c2C(=O)OCC)cc1 33595983 JLASHZRXWQEHAM-JCMHNJIXSA-N 488.609 6.543 50 10 JKGE CCCCOc1ccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4cccc(OCCC)c4)ccc32)cc1 38650851 GQWQWDTVPGJLMB-MUUNZHRXSA-N 498.579 6.092 50 10 JKGE N#CC1=C(N)Oc2cc(OC(=O)COc3ccc(Cl)cc3Cl)ccc2[C@@H]1c1ccccc1F 38651928 OBQAZYDYIUXKAI-QHCPKHFHSA-N 485.298 5.335 50 10 JKGE CCOc1ccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4ccccc4Cl)ccc32)cc1OC 38659463 JOWWWWZZWYBLLP-DEOSSOPVSA-N 476.916 5.185 50 10 JKGE Cc1cc(C)c2c(C)c(C(=O)Oc3ccc4c(c3)OC(N)=C(C#N)[C@H]4c3ccccc3F)oc2c1 38687994 CZWMTJVZSMGJDO-VWLOTQADSA-N 468.484 5.935 50 10 JKGE Nc1c(NNC(=O)C(c2ccccc2)c2ccccc2)ncnc1Nc1cccc2ccccc12 40758965 ILWCGVMMBOPNPS-UHFFFAOYSA-N 460.541 5.231 50 10 JKGE COc1ccccc1C(=O)N/N=C1\CCCc2oc(C(=O)Nc3cc(Cl)cc(Cl)c3)c(C)c21 40813151 MOLRYVTWBZDNRJ-MTDXEUNCSA-N 486.355 5.626 50 10 JKGE N#CC1=C(N)OC2=C(C(=O)C[C@@H](c3ccc(Cl)cc3)C2)[C@@H]1c1cccc(Br)c1 58929649 PXQIMCPSIATVKY-JLTOFOAXSA-N 455.739 5.311 50 10 JKGE CCOc1ccc(-c2nn(-c3ccccc3)cc2/C=C2/C(=O)N([C@H](C)CC)C(=O)C(C#N)=C2C)cc1F 101334194 QIDWPVPRWKEGJF-UEIZDATPSA-N 498.558 5.468 50 10 JKGE COc1ccc(-c2csc(/C(C#N)=C\Nc3ccccc3OC(F)(F)[C@H](F)Cl)n2)cc1OC 102415679 WFOKUJZDEADHCB-SZRHCGQDSA-N 495.910 6.310 50 10 JKGE O=S(=O)(N[C@H]1CCCCC[C@H]1Br)c1c(Cl)cc(Br)cc1Cl 136209021 QJZHDXSFBPDBNY-SKDRFNHKSA-N 480.049 5.130 50 10 JKGE Clc1ccccc1CO[C@H](CI)c1cccc(Br)c1 162013237 WULDTSSHWWOQDY-OAHLLOKOSA-N 451.529 5.795 50 10 JKGE COc1ccc(/C=C\C(=O)Oc2ccc(/C=C(/C#N)c3nc(-c4ccco4)cs3)cc2)cc1 210607407 NYZITXKNBSSPAX-MXBYZYADSA-N 454.507 6.095 50 10 JKGE CCCCCCCOc1ccc(/C=C2\C(=O)N(Cc3ccc(C)cc3)C(=O)C(C#N)=C2C)cc1 214382177 FQSBPXRUMRTEEJ-ITYLOYPMSA-N 456.586 6.137 50 10 JKGE Fc1ccc(Br)c(F)c1C[C@H](CBr)c1cccc(Br)c1 230376249 ORJPGWNBJQYBKQ-SNVBAGLBSA-N 468.961 6.211 50 10 JKGE O=C(N[C@@H](CBr)Cc1ccccc1)c1cc(Br)sc1Br 232471394 AZFVMENWTDYYFN-SNVBAGLBSA-N 482.035 5.009 50 10 JKGE ClCc1ccc(Oc2ccc(Br)cc2Br)cc1Br 236029746 LXJLFXDDGUOWIU-UHFFFAOYSA-N 455.371 6.505 50 10 JKGE Cl[C@H](c1cc(I)ccc1Br)c1csc2ccccc12 236039560 UOWMROYBFQYJHE-OAHLLOKOSA-N 463.565 6.597 50 10 JKGE Fc1ccc([C@H](Cl)c2ccc(Br)cc2Br)cc1Br 236265876 JHWTZWKYUJIDRF-ZDUSSCGKSA-N 457.362 6.441 50 10 JKGE COc1ccccc1/C=C\C=NNC(=O)CSc1nc2ccccc2n1Cc1ccc(C)cc1 254301014 ZCXAGOGICNIKSO-PIFJBOSISA-N 470.598 5.309 50 10 JKGE CCCCCCCOc1ccc(C=NNC(=O)c2ccc(NC(=O)c3ccccc3)cc2)cc1 254411459 DJGBRLRGQQECJX-UHFFFAOYSA-N 457.574 6.052 50 10 JKGE O=C(NN=Cc1cn(-c2ccccc2)nc1-c1ccc(OCc2ccccc2)cc1)c1ccccc1 254714879 LLRACKDQMBNVNQ-UHFFFAOYSA-N 472.548 5.882 50 10 JKGE COc1ccc(C(=O)NN=Cc2ccc(N3N=C(c4ccccc4)C[C@@H]3c3ccccc3)cc2)cc1 254734459 VITTZIIAFNWYID-GDLZYMKVSA-N 474.564 5.815 50 10 JKGE COc1c(C)cc(Br)c(C)c1[C@@H](Br)c1ccccc1OCc1ccccc1 312615761 GGZDURJSUAXAGN-QFIPXVFZSA-N 490.235 7.138 50 10 JKGE COCc1cc(Br)c([C@H](Cl)c2ccc(I)cc2)s1 688114446 NYURQVGQELSKIQ-GFCCVEGCSA-N 457.558 5.590 50 10 JKGE CC1(C)C[C@H](Br)C[C@H](NC(=O)c2cc(Br)cc(Br)c2)C1 693900791 ZGWPBPQAWFSWPJ-OLZOCXBDSA-N 468.027 5.284 50 10 JKGE Brc1cc([C@H](Br)c2ccsc2Br)sc1Br 698672079 MFEUDXLVHSVBEJ-SSDOTTSWSA-N 495.881 6.581 50 10 JKGE CC(=NNC(=O)c1ccc(CN(c2cccc(Cl)c2Cl)S(C)(=O)=O)cc1)c1ccccc1 725433855 SLHOJCZGVKUXGH-UHFFFAOYSA-N 490.412 5.114 50 10 JKGE COc1ccc(COc2ccc(C=NNC(=O)CCCSc3nc4ccccc4s3)o2)cc1 1084083846 YOOOMTBFYUDRCI-UHFFFAOYSA-N 481.599 5.500 50 10 JKGE C=CCc1cc(/C=C(\C#N)C(=O)Nc2cccc(Cl)c2Cl)ccc1OCc1ccccc1C#N 1084173778 GZZUFGUWABXRJW-HYARGMPZSA-N 488.374 6.718 50 10 JKGE O=C(CSc1ccccc1)NN=C1C(=O)N(Cc2c(Cl)cccc2Cl)c2ccccc21 1084333649 OGNUNYKINAGGGD-UHFFFAOYSA-N 470.381 5.153 50 10 JKGE O=C(OCc1ccccc1)N1C[C@H](c2ccccc2OC(F)F)[C@@H](CI)C1 1614626598 INXZLUBALKGHSL-RDJZCZTQSA-N 487.284 5.075 50 10 JKGE Cc1cc(OC(=O)c2oc3c(c2C)C(=NNC(=O)c2ccccc2Cl)CCC3)cc(C)c1Cl 1772744593 XSERDBDIQJSSQL-UHFFFAOYSA-N 485.367 6.201 50 10 JKGE CCCCOc1ccc(C=NNC(=O)COc2ccc(Br)cc2C(C)(C)C)cc1OC 1772754418 HDMDOQYZCPCTBP-UHFFFAOYSA-N 491.426 5.463 50 10 JKGE N#CC1=C(N)Oc2c(c(C(F)(F)F)nn2-c2ccccc2Cl)[C@H]1c1c(Cl)cccc1Cl 1865686199 RWNZQCZKWPDEMN-CQSZACIVSA-N 485.680 6.069 50 10 JKGE CCCOc1ccc([C@H]2C(C#N)=C(N)Oc3c2c(C)nn3Cc2ccc(Cl)cc2)cc1OCC 1865688134 KERJXFXAAJNYJD-DEOSSOPVSA-N 478.980 5.299 50 10 JKGE C=CCOc1ccccc1[C@H]1C(C#N)=C(N)Oc2c1c(-c1ccccc1)nn2Cc1ccc(F)cc1 1865691589 VYSPDKVPAAFOPN-VWLOTQADSA-N 478.527 5.520 50 10 JKGE CCn1nc(C(F)(F)F)c2c1OC(N)=C(C#N)[C@@H]2c1cccc(OC)c1OCc1cccc(C)c1 1865705704 CSJQIMYARDIMPL-IBGZPJMESA-N 484.478 5.036 50 10 JKGE COc1ccc(-c2nn(Cc3ccc(C)cc3)c3c2[C@H](c2cccc([N+](=O)[O-])c2)C(C#N)=C(N)O3)cc1 1865705915 JGKAYQKNAHPHHU-XMMPIXPASA-N 493.523 5.042 50 10 JKGE Cc1cccc([C@@H]2C(C#N)=C(N)Oc3c2c(C(F)(F)F)nn3Cc2c(F)cccc2Cl)c1 1865711195 RVVZGACZVXJWMY-QGZVFWFLSA-N 462.834 5.269 50 10 JKGE COCCOc1ccc(/C=C(\C#N)C(=O)NCC[C@H](C)c2cccc(-c3ccc(O)cc3)c2)cc1 1866214039 OWACUZHPDOCVMK-AFDYPQSWSA-N 470.569 5.301 50 10 JKGE COc1ccc(-c2c(C)c3cc(OCc4ccc(CCl)cc4)ccc3oc2=O)cc1OC 1871436708 MAVWAWHSRAKROI-UHFFFAOYSA-N 450.918 6.103 50 10 JKGE N#C/C(=C(/O)c1ccc(Cl)c([N+](=O)[O-])c1)c1nc(-c2ccc(Br)cc2)cs1 1872746317 BZTQCNGNDFMPDG-LGMDPLHJSA-N 462.712 6.084 50 10 JKGE CCOc1ccc(/C=C(C(/O)=C(\C#N)c2nc(-c3cccc(Cl)c3)cs2)\c2ccccc2)cc1 1872748397 VTHMXUIRBAAYOU-WQKWTJNBSA-N 485.008 7.896 50 10 JKGE Cc1ccc(-c2csc(/C(C#N)=C(\O)CCCN3C(=O)c4cccc([N+](=O)[O-])c4C3=O)n2)c(C)c1 1872748508 ASUDKSXRBATTAU-UZYVYHOESA-N 488.525 5.204 50 10 JKGE N#C/C(=C(/O)Cc1cccc2ccccc12)c1nc(-c2ccc(Oc3ccccc3)cc2)cs1 1872753822 OKPDDAOXBYKRSM-SGEDCAFJSA-N 460.558 7.791 50 10 JKGE C[C@H](/C(O)=C(\C#N)c1nc(-c2ccc(Oc3ccccc3)cc2)cs1)N1C(=O)c2ccccc2C1=O 1872753950 VVEAQPSIRCZJJB-NPPSCJOGSA-N 493.544 6.080 50 10 JKGE COc1cc(/C=C(\C#N)c2nc(-c3ccc4ccccc4c3)cs2)ccc1OC(=O)c1ccccc1 1872782567 NVGGBWDTXHBKGV-MFKUBSTISA-N 488.568 7.255 50 10 JKGE CCOc1c(Br)cc(/C=C(\C#N)c2nc(-c3cccc4ccccc34)cs2)cc1OC 1872792365 VCLVWHZRMQUPIB-WOJGMQOQSA-N 491.410 7.197 50 10 JKGE Cl[C@H](c1c(Br)sc(Br)c1Br)[C@H]1C[C@H]1Br 1893054294 KVUDSHBILXDDCH-VPGXFDHMSA-N 488.264 6.099 50 10 JKGE Clc1cc(I)c([C@H](Cl)c2cc(Br)c(Cl)s2)s1 1901020655 HWJKXEUIGSRCAU-SSDOTTSWSA-N 488.424 6.812 50 10 JKGE BrC[C@@H](C1CC1)N(Cc1ccccc1)c1ncc(Br)c2ccsc12 1915188201 WNNOHVCYZWTWKW-KRWDZBQOSA-N 466.242 6.239 50 10 JKGE CC(C)[C@H](CBr)N(Cc1ccccc1)C(=O)c1ccc2cc(Br)ccc2c1 1915259067 HBZGPAJJCOFGDV-QFIPXVFZSA-N 489.251 6.664 50 10 JKGE Clc1c(Br)sc(Br)c1[C@H](Cl)C1C2CC3CC(C2)CC1C3 1923047821 DSJFCDZQTAUHJU-MRGWJBNUSA-N 459.074 7.279 50 10 JKGE Fc1cccc(C[C@@H](Br)c2c(Br)sc(Br)c2Cl)c1F 1923067580 FKJZQOCSWPVCPW-ZCFIWIBFSA-N 495.408 6.883 50 10 JKGE Fc1ccsc1[C@H](Br)c1c(Br)sc(Br)c1Cl 1923070798 FEDJOWJCDLQWOK-RXMQYKEDSA-N 469.420 6.611 50 10 JKGE C[C@@H](C1CCCC1)[C@H](Cl)c1c(Br)sc(Br)c1Br 1924568293 DRYJVTSVAAGWAS-WKEGUHRASA-N 465.476 7.142 50 10 JKGE Cc1cccc([C@@H](Cl)c2c(Br)sc(Br)c2Br)c1 1924581330 ZQVPDPWGPMPUDH-SNVBAGLBSA-N 459.428 6.672 50 10 JKGE FC1(F)CC([C@H](Cl)c2c(Br)sc(Br)c2Br)C1 1924604375 AUCMMNJEJRGNSP-LURJTMIESA-N 459.375 6.361 50 10 JKGE Clc1sc(Br)c(Cl)c1[C@@H](Cl)c1ccccc1I 1925568891 NLNHAJSFZLGULN-QMMMGPOBSA-N 482.395 6.750 50 10 JKGE CN(C)CCN(Cc1ccccc1)c1c(CBr)ccc(Br)c1Cl 1939329452 QCMKXZCFZIPJQG-UHFFFAOYSA-N 460.641 5.566 50 10 JKGE CC(C)C[C@@H]1CN(C(=O)OC(C)(C)C)CC[C@]12CC[C@](C)(CI)O2 1944824527 HKWRREFYKBRFFA-ATZDWAIDSA-N 451.389 5.032 50 10 JKGE Brc1cc([C@@H](Br)Cc2nccs2)ccc1I 1995148530 CXGMPUWYUNSZIZ-QMMMGPOBSA-N 472.971 5.189 50 10 JKGE COc1sc([C@@H](Cl)c2c(Br)cccc2Br)cc1Br 2034638516 VDNOHYPUNLBLJG-LLVKDONJSA-N 475.427 6.372 50 10 JKGE CC(C)(C)C1CC([C@H](Br)c2c(Br)sc(Br)c2Cl)C1 2043034921 IBMYRBHSDZJJHJ-IEIXJENWSA-N 479.503 7.435 50 10 JKGE CC(C)(C)c1ccc(-n2nc(CCl)c(I)c2C(F)(F)F)c(O)c1 2079212413 SBLPCZFYIKMXHK-UHFFFAOYSA-N 458.649 5.238 50 10 JKGE C[C@@H]1CCc2c1c(CBr)nn2Cc1ccc(C(F)(F)F)c(Br)c1 2080700125 NTHLGJURXOZRJM-SECBINFHSA-N 452.112 5.657 50 10 JKGE Brc1cc([C@@H](Br)C2C3(CCC3)C23CCC3)sc1Br 2083560677 KGLPWJRJLDAAEF-SNVBAGLBSA-N 455.053 6.680 50 10 JKGE Fc1cc(Br)c(Cl)cc1[C@H](Cl)c1cccc(Br)c1Br 2092327497 BKNXZRYKCARWSI-CYBMUJFWSA-N 491.807 7.095 50 10 JKGE COc1cc(C)c(Br)cc1[C@H](Cl)c1csc(Br)c1Br 2093941878 DXOQSGSDPBUZPW-LBPRGKRZSA-N 489.454 6.681 50 10 JKGE ClCc1nc2cc(Cl)c(Br)cc2n1C[C@@H]1CCCN1Cc1ccccc1 2112690081 AGSPUCOEGCJTEI-HNNXBMFYSA-N 453.211 5.856 50 10 JKGE C[C@H](c1ccncc1Br)[C@H](Cl)c1cc(I)ccc1F 2113348192 GLMOUKXGFANFOC-CLAHSXSESA-N 454.508 5.671 50 10 JKGE CCOc1cc(Cl)c([C@H](Br)c2cc(I)sn2)cc1Cl 2120031757 KHSBLTWWUHCNIX-LBPRGKRZSA-N 492.991 5.938 50 10 JKGE C[C@](CI)(OCc1cscc1F)c1ccccc1Br 2136758854 AGWUFSKXFZXLQM-CQSZACIVSA-N 455.130 5.517 50 10 JKGE COc1ccc([C@H](Br)c2cccc(I)c2)c(Cl)c1Cl 2138641531 JEVKXLZZHOTKHJ-GFCCVEGCSA-N 471.947 6.091 50 10 JKGE Brc1ccc([C@H](Br)[C@]23CCCC[C@@H]2OCC3)c(Br)c1 2138860674 BTQHAMCARZIBPT-KKUMJFAQSA-N 453.012 5.997 50 10 JKGE COC[C@@H]1CC[C@@H](Cc2ccc(I)c(Cl)c2)C[C@@H]1Br 2142939641 ILYAADKDTNMXCL-DRZSPHRISA-N 457.577 5.313 50 10 JKGE C[C@@H]1CCCN(Cc2ccc(I)c(Cl)c2)[C@H]1CCBr 2142950572 SFOYKEPLCBBNHF-ABAIWWIYSA-N 456.593 5.330 50 10 JKGE C[C@H]1Cc2cc([C@H](Br)c3cc(Cl)sc3Cl)cc(Br)c2O1 2146628945 PXBOCWOQEBHUSK-QTTZVWFDSA-N 457.014 6.625 50 10 JKGE ClC[C@H](Cc1cccc(Br)c1)Cc1cccc(Br)c1Br 2148749866 DZLKDFFPFPSNDC-GFCCVEGCSA-N 481.453 6.614 50 10 JKGE Fc1cc(Br)c([C@@H](Cl)c2cccc(Br)c2Br)c(F)c1F 2148752671 PEYPEPYQENGXRD-NSHDSACASA-N 493.342 6.720 50 10 JKGE O=C(c1scc(Br)c1Br)N1CCC[C@@H]2CC[C@@H](Br)C[C@@H]21 2167020779 JJWPMSDLWAAGBX-KKZNHRDASA-N 486.067 5.441 50 10 JKGE C[C@H](Cl)c1nc2cc(Cl)c(Br)cc2n1[C@@H]1CCN(Cc2ccccc2)[C@@H]1C 2168999291 QREYCPWSKIKEMC-IQUTYRLHSA-N 467.238 6.588 50 10 JKGE COc1cc(C)c([C@H](Br)c2cc(Br)ccc2F)cc1Br 2198738031 VOWAAZZYRKTYON-HNNXBMFYSA-N 466.970 6.152 50 10 JKGE COc1c(C)cc(Br)cc1[C@H](Cl)c1ccc(I)c(C)c1 2207098013 SSJIVHRXILKQNY-OAHLLOKOSA-N 465.556 6.007 50 10 JKGE Fc1cc(Br)c(Br)cc1[C@H](Br)COCC(F)(F)F 2218598824 XAYAOTZQXREJAG-MRVPVSSYSA-N 458.869 5.366 50 10 JKGE CC1(C)CCCC[C@H]1[C@H](Br)c1cc(Br)c(Br)cc1F 2225617280 NPAQZPVCJGSYJJ-IINYFYTJSA-N 457.019 7.003 50 10 JKGE ClCc1nc2cc(Br)c(Br)cc2n1[C@H]1[C@@H]2CN(Cc3ccccc3)C[C@@H]21 2225703877 FTQGZJLIJLDYGX-IKDJWVMYSA-N 495.646 5.603 50 10 JKGE Cc1cc(Br)c([C@@H](Br)C2(C)CCOCC2)c(C)c1Br 2227349388 BZMPPEVBIUXYNC-CQSZACIVSA-N 455.028 6.081 50 10 JKGE Cc1cc(Br)c([C@@H](Br)C(F)(F)CC2CC2)c(C)c1Br 2227362443 NOJOCRNPXVQWOI-CYBMUJFWSA-N 460.982 6.700 50 10 JKGE CC(C)(C)OC(=O)N1CCC(CI)(O[C@H]2CCCC[C@@H]2C(F)(F)F)CC1 2231391692 SWFLTVOQKKTGEQ-KBPBESRZSA-N 491.332 5.329 50 10 JKGE CCOCc1cc(Br)c([C@@H](Br)c2cc(F)cc(Br)c2)s1 2233017785 CIULCSHJMDMQCY-ZDUSSCGKSA-N 487.026 6.433 50 10 JKGE CCOCc1cc(Br)c([C@H](Cl)c2sc(C)c(Br)c2C)s1 2234469692 IZWOTYXLSRMPDK-GFCCVEGCSA-N 458.668 6.816 50 10 JKGE COc1cc(F)c([C@@H](Cl)c2cc(C)ccc2I)cc1Br 2241003035 YLRFECXMCFHIKY-OAHLLOKOSA-N 469.519 5.838 50 10 JKGE Clc1c(Br)sc(Br)c1[C@@H](Br)C12COCC(C1)C2 2250942147 KVFBIWCBNFKZCA-GBZMYTLWSA-N 465.432 5.789 50 10 JKGE CCc1cc([C@@H](Br)c2ccc(Br)c(OC)c2)sc1Br 2267865140 AFHDYOVNNOOQRJ-ZDUSSCGKSA-N 469.036 6.328 50 10 JKGE Fc1cc(Br)c(Br)cc1[C@@H](Br)C1CC2(CC(F)C2)C1 2272094297 ZXNWTICWJLFXHQ-KTASOKQSSA-N 458.966 6.315 50 10 JKGE Fc1cccc([C@H](Cl)c2cc3sc(Br)cc3s2)c1I 2278029811 OJQIDPUBJHWHSN-LBPRGKRZSA-N 487.584 6.797 50 10 JKGE Fc1cc(Br)cc(F)c1COc1ccc(Br)cc1CBr 2287132264 AWQTWSRQEWJBOO-UHFFFAOYSA-N 470.933 5.964 50 10 JKGE Fc1cc(Br)c(F)c(Br)c1[C@@H](Br)CC[C@@H]1CCCCO1 2288493227 PVSFLNPMVOTGDV-IUCAKERBSA-N 476.981 6.275 50 10 JKGE CCCOc1ccc(-c2nn(-c3ccccc3)cc2C=C(C#N)S(=O)(=O)c2ccccc2)cc1C 2296730150 AFZXSLDFEZPUFE-UHFFFAOYSA-N 483.593 5.975 50 10 JKGE COc1cc(C=C(C#N)c2ccc(Cl)cc2)cc(Cl)c1OCc1cccc([N+](=O)[O-])c1 2297368503 FMTYYBXRIUERFG-UHFFFAOYSA-N 455.297 6.553 50 10 JKGE Cc1ccc(NC(=O)COc2ccc(C=C(C#N)c3ccc(C(=O)O)cc3)cc2Br)cc1 2297379022 IFXWMDZZTGWTRH-UHFFFAOYSA-N 491.341 5.537 50 10 JKGE COc1cc(C=C(C#N)C(=O)Nc2nc3ccccc3s2)ccc1OCc1ccc(Cl)cc1 2297500336 GEKXUBAAUATSSQ-UHFFFAOYSA-N 475.957 6.083 50 10 JKGE Cc1scc([C@@H](Br)c2ccc(OCc3ccccc3)cc2Br)c1C 2299504652 PAEWQFBSYILKIO-FQEVSTJZSA-N 466.238 7.191 50 10 JKGE Clc1ccc([C@@H](Br)c2ccc(Br)cc2)c(I)c1 2301799214 TYVPGLCTXIZSPZ-ZDUSSCGKSA-N 486.372 6.191 50 10 JKGE CCOc1cc(C=C(C#N)C(=O)Nc2ccc(F)cc2)ccc1OCc1ccc(Br)cc1 2313540592 JDJHNGUULZFPRF-UHFFFAOYSA-N 495.348 6.112 50 10 JKGE CCOc1ccc(Br)cc1C=C(C#N)C(=O)Nc1sc2c(c1C#N)CCCC2 2313630776 SNGLFDZSDIYNQX-UHFFFAOYSA-N 456.365 5.205 50 10 JKGE Cc1ccc(NC(=O)C(C#N)=Cc2cc(Br)ccc2OCc2cccc(Cl)c2)cc1C 2313667755 VCRASSABOPHVQE-UHFFFAOYSA-N 495.804 6.844 50 10 JKGE N#CC(=Cc1ccccc1OCc1ccc(Cl)cc1)C(=O)Nc1cccc(C(F)(F)F)c1 2313670739 SMWQSBIJSTVORE-UHFFFAOYSA-N 456.851 6.483 50 10 JKGE CCCOc1cc(Br)c(C=C(C#N)C(=O)Nc2cccc(C(F)(F)F)c2)cc1OC 2313738662 NKYOUOFZWZEVDF-UHFFFAOYSA-N 483.284 5.811 50 10 JKGE Brc1ccc(OCc2ccccc2)c([C@@H](Br)C23CCC(CC2)CC3)c1 2314453781 ZMOGCDATWUBPSW-VUQFPLBCSA-N 464.241 7.435 50 10 JKGE Clc1cccc(C[C@@H](Br)c2ccc(OCc3ccccc3)cc2Br)c1 2314500630 PNNSSBUBKZDLLB-HXUWFJFHSA-N 480.627 7.360 50 10 JKGE Cc1cccc(Oc2nc3ccccn3c(=O)c2C=C(C#N)C(=O)Nc2cccc(Cl)c2)c1C 2314531460 BDWBNCCZUYUWFH-UHFFFAOYSA-N 470.916 5.303 50 10 JKGE CC1=C(C#N)C(=O)N(Cc2cccnc2)C(=O)C1=Cc1ccc(-c2cccc(Cl)c2Cl)o1 2314618835 VCXVXLGIAVYNMP-UHFFFAOYSA-N 464.308 5.441 50 10 JKGE CCOC(=O)c1c(NC(=O)C(C#N)=Cc2ccc(OC)cc2)sc(C)c1-c1ccc([N+](=O)[O-])cc1 2314753945 GWHFXFMQWHJDBF-UHFFFAOYSA-N 491.525 5.363 50 10 JKGE COc1ncc(Br)c(C)c1CN(Cc1ccccc1)C1(CBr)CCC1 2319571208 ICSFFZHUOFMUKR-UHFFFAOYSA-N 468.233 5.481 50 10 JKGE COc1cc(C=C(C#N)c2cccc(Cl)c2)ccc1OC(=O)c1ccc(Br)cc1 2320506260 FYKQURDIHDUCSA-UHFFFAOYSA-N 468.734 6.394 50 10 JKGE Cc1ccc(COc2ccccc2C=NNC(=O)c2nn(-c3ccccc3)c3c2CCC3)cc1 2323759412 WZSGOMOMYVWPFN-UHFFFAOYSA-N 450.542 5.012 50 10 JKGE N#CC(=CNc1ccc(Cl)cc1C(F)(F)F)C(=O)NC(c1ccccc1)c1ccccc1 2324834576 XHUOQIGICHYLNC-UHFFFAOYSA-N 455.867 6.084 50 10 JKGE COc1cc(C=C(C#N)c2ccc(Cl)cc2F)ccc1OCc1ccc(Cl)c(Cl)c1 2331063970 ZHQBGPQOOPQRBC-UHFFFAOYSA-N 462.735 7.438 50 10 JKGE CCc1ccc(OCCCC(O)=C(C#N)c2nc(-c3ccc(Cl)c(Cl)c3)cs2)cc1 2331311591 AJGJIUNJWUMBMU-UHFFFAOYSA-N 459.398 7.331 50 10 JKGE CCCOc1ccc(-c2csc(C(C#N)=C(O)CN3C(=O)COc4ccc(Cl)cc43)n2)cc1 2331318700 RMKCQIRWYAOAPQ-UHFFFAOYSA-N 481.961 5.471 50 10 JKGE CCCCCCCOc1ccc(-c2csc(C(C#N)=C(O)Cc3ccc(F)cc3)n2)cc1 2331344659 CSGGQDBTTRCFFP-UHFFFAOYSA-N 450.579 7.334 50 10 JKGE CCc1ccc(OCCCC(O)=C(C#N)c2nc(-c3ccc(C)c(C)c3)cs2)c(Br)c1 2331382823 LZBJGZLWUMTJQK-UHFFFAOYSA-N 497.458 7.404 50 10 JKGE COc1cc(Cl)c(C)cc1-c1csc(C(C#N)=C(O)CCc2nc3ccccc3[nH]c2=O)n1 2331390347 ZZGMHBRUAQQVDV-UHFFFAOYSA-N 478.961 5.443 50 10 JKGE COc1cc(Cl)c(C)cc1-c1csc(C(C#N)=C(O)[C@@H](C)Oc2ccccc2C(C)C)n1 2331390596 RKZQZGYIRRFJRT-MRXNPFEDSA-N 469.006 7.164 50 10 JKGE Cc1cc(Br)c([C@@H](Br)C[C@H]2CC[C@@H]3C[C@H]23)c(C)c1Br 2333709215 XUZAUTRTHPTUOA-NMKXLXIOSA-N 451.040 6.701 50 10 JKGE Fc1cc(Br)c(F)c(Br)c1[C@@H](Br)[C@H]1CC[C@@H]2C[C@@H]2C1 2334720404 WAZQGPMUIFLTQP-ZWADGADFSA-N 458.966 6.362 50 10 JKGE Brc1ccc(OCc2ccccc2)c([C@@H](Br)c2cc3ccccc3s2)c1 2336048767 XERZLKBQEBELOY-JOCHJYFZSA-N 488.244 7.727 50 10 JKGE COC1CC(C[C@H](Br)c2c(Cl)cc(Br)c(F)c2Br)C1 2337084246 JFOUIZZZBBYYKL-RRQHEKLDSA-N 479.409 6.255 50 10 JKGE Cn1cc(Cl)c([C@@H](Cl)c2c(Cl)cc(Br)c(F)c2Br)n1 2337086878 QYQSXQODFYAVLC-VIFPVBQESA-N 451.348 5.719 50 10 JKGE Fc1c(Br)cc(Cl)c([C@@H](Br)[C@H]2C[C@@H]3CC[C@H]2C3)c1Br 2337090970 UCTGCTHOXATDKF-VXDIOVFMSA-N 475.421 6.876 50 10 JKGE COc1c(C)cc([C@H](Br)c2cc(Br)c(Br)s2)cc1Cl 2337661904 XAIBSPZSUZHLDM-NSHDSACASA-N 489.454 6.728 50 10 JKGE C[C@]12C[C@H](C1)[C@@H]([C@@H](Br)Cc1cc(Br)cc(Br)c1)CO2 2337698156 RIYHALYCTBHJGR-FBUXBERBSA-N 453.012 5.333 50 10 JKGE Clc1ccc(COc2ccc(CBr)cc2Cl)c(I)c1 2340110316 OGCKZJVOPRVSOK-UHFFFAOYSA-N 471.947 6.072 50 10 JKGE Clc1ccc(CO[C@H]2C[C@@H](Br)C23CCCC3)c(I)c1 2340110578 RHBNXKZGZSOLOC-KGLIPLIRSA-N 455.561 5.557 50 10 JKGE Fc1cccc([C@H](CI)OCc2cccc(I)c2)c1 2341612096 PBUJLTGVUMHULJ-HNNXBMFYSA-N 482.074 5.123 50 10 JKGE Cc1c(CCl)cccc1NCc1ccc(I)c(Br)c1 2349852755 DOUBLHXHLXQZMK-UHFFFAOYSA-N 450.545 5.713 50 10 JKGE C[C@]1(C(F)(F)F)C[C@H]1[C@H](Br)c1c(F)cc(Cl)c(Br)c1Cl 2360422020 RKONKFQAKYNUSB-FCBCCEKLSA-N 458.902 6.920 50 10 JKGE O=S1(=O)C[C@@H]2CCC[C@@]2([C@@H](Cl)c2ccc(OCc3ccccc3)cc2Br)C1 2361215326 RZHJQMPRBNHKQC-ORYQWCPZSA-N 469.828 5.523 50 10 JKGE Cc1ccc(C[C@H](Br)c2c(Cl)cc(Br)c(F)c2Br)cc1 2362228620 FDYLXGDOLCDICF-JTQLQIEISA-N 485.416 6.991 50 10 JKGE COCc1ccc([C@@H](Br)c2c(F)cc(Br)c(F)c2Br)s1 2368081210 DUSGORJICKSTQU-LLVKDONJSA-N 490.989 6.182 50 10 JKGE COC(C)(C)C1([C@@H](Br)c2c(Cl)cc(Br)c(F)c2Br)CC1 2369706323 ZAYCVTNZSHRJQM-LBPRGKRZSA-N 493.436 6.645 50 10 JKGE O=C(NC1CCCCC1)[C@H](c1ccc(Cl)cc1)N(C(=O)CCl)c1cccc(Cl)c1 3035273 FBKSLDXLVJSSMN-NRFANRHFSA-N 453.797 5.755 50 10 JKGE CCOc1c(Cl)cc(/C=C(/C#N)C(=O)Nc2ccc3c(c2)C(=O)c2ccccc2C3=O)cc1OC 6600247 LZHLCGIROQXAMV-YBEGLDIGSA-N 486.911 5.068 50 10 JKGE Cc1ccc(C[C@H]2S/C(=C(/C#N)C(=O)c3c[nH]c4ccccc34)N(c3ccccc3)C2=O)cc1 11666697 NBUYLIWBAPSQTH-KVILUOORSA-N 463.562 5.786 50 10 JKGE C/C(=N\NC(=O)COc1ccc(C(C)(C)C)cc1Br)c1ccc(Br)cc1 12403457 SRZSIYSEEOKZNP-YDZHTSKRSA-N 482.216 5.428 50 10 JKGE COc1ccc(C(=O)N/N=C/c2c3ccccc3cc3ccccc23)cc1I 12574258 ZCOJVSJOUXTUBR-AFUMVMLFSA-N 480.305 5.370 50 10 JKGE CC/C(=N\NC(=O)COc1ccc(C)cc1Br)c1ccc(-c2ccccc2)cc1 20072373 JVNQGVDXEMTUMT-XTCLZLMSSA-N 451.364 5.734 50 10 JKGE O=C(CSc1nc2ccccc2s1)N/N=C/c1ccc(-c2cc(Cl)cc(Cl)c2)o1 33567695 DXIYYAAGONTQHN-AUEPDCJTSA-N 462.383 6.106 50 10 JKGE Cc1ccc(NC(=O)/C(C#N)=C2/S[C@H](Cc3ccc(Cl)cc3)C(=O)N2c2ccc(C)cc2)cc1 33579293 BKRQFMLNSMUTDP-GUNDDFSMSA-N 488.012 6.022 50 10 JKGE Cc1ccccc1Oc1nc2c(C)cccn2c(=O)c1/C=C(/C#N)c1nc2ccccc2s1 33590293 PUHBXAVJLINDCX-JXAWBTAJSA-N 450.523 5.778 50 10 JKGE CCOc1cc(/C=C2/C(=O)N(Cc3ccco3)C(=O)C(C#N)=C2C)ccc1OCc1ccc(F)cc1 38606976 YGSOCLRNIGKCJH-YDZHTSKRSA-N 486.499 5.189 50 10 JKGE CCCCCOc1ccc(C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@H]3c2ccc(Cl)cc2)cc1 38651362 KJBTXVGJPILREN-SANMLTNESA-N 488.971 6.346 50 10 JKGE C[C@H](Oc1ccccc1F)C(=O)Oc1ccc2c(c1)OC(N)=C(C#N)[C@@H]2c1c(Cl)cccc1Cl 40529667 ZBHAFWWRKGULOC-WHEQGISXSA-N 499.325 5.724 50 10 JKGE Cc1ccccc1C(=O)Oc1ccc2c(c1)OC(N)=C(C#N)[C@H]2c1cccc(OCCC(C)C)c1 40529961 SZDUVXUPLIOPFS-MHZLTWQESA-N 468.553 5.857 50 10 JKGE Cc1ccnc(NC(=O)c2oc3c(c2C)/C(=N/NC(=O)Cc2coc4c(C)c(C)ccc24)CCC3)c1 40826779 QEWRIGFYBWBPEB-NJZRLIGZSA-N 484.556 5.306 50 10 JKGE CCCOc1ccc(/C=C(\C#N)C(=O)Oc2ccc(C(=O)Nc3ccc(C)cc3C)cc2)cc1 40882637 REDBOVAWJRJZSM-HAVVHWLPSA-N 454.526 5.857 50 10 JKGE Cc1ccc(NC(=O)COc2ccc(/C=N\NC(=O)c3ccc(Cl)cc3Cl)cc2)cc1 58882995 DGEHPAQETALDTA-ZMFRSBBQSA-N 456.329 5.083 50 10 JKGE Cc1cccc(COc2ccc(Br)cc2/C=C(/C#N)C(=O)Nc2ccc(F)cc2)c1 59116785 KORFHRLAUBTQAL-UNOMPAQXSA-N 465.322 6.021 50 10 JKGE Cc1cc(/C=N/NC(=O)c2cc3ccccc3o2)c(C)n1-c1ccc(OCc2ccc(F)cc2)cc1 59303784 XHCKRCXIUACSHD-KBVAKVRCSA-N 481.527 6.322 50 10 JKGE COc1cc(/C=N\NC(=O)c2ccc(F)cc2)ccc1Oc1ccc(C(F)(F)F)cc1[N+](=O)[O-] 59462968 HOSAYPXJXZJQJO-PPDIBHTLSA-N 477.370 5.318 50 10 JKGE COc1ccc(Br)cc1[C@@H](Br)c1cc(Br)ccc1Cl 109834487 DMFPTRNNYPVTNL-AWEZNQCLSA-N 469.398 6.358 50 10 JKGE CCCCC1CCC([C@H](Br)c2cc(Br)ccc2Br)CC1 109844791 NIHOMBAUNDUJNX-FVKWTLKZSA-N 467.083 7.644 50 10 JKGE Clc1ccc([C@@H](Br)c2cc(Br)sc2Br)c(Cl)c1 109869707 YKNIKYJRNVIQOW-SNVBAGLBSA-N 479.846 7.064 50 10 JKGE COc1cc(C)c(Br)cc1[C@H](Br)Cc1cccc(Br)c1 115867210 ZHHNMOILMAGPTL-OAHLLOKOSA-N 463.007 6.207 50 10 JKGE Fc1cccc(C(CBr)(CBr)Cc2ccc(Cl)c(Cl)c2)c1 118877687 UPHUKPXMIBJLJN-UHFFFAOYSA-N 454.992 6.403 50 10 JKGE Cc1sc(Br)cc1[C@H](Br)c1csc(I)c1 118884155 QCZQXHJJBBSIIW-SNVBAGLBSA-N 478.012 5.969 50 10 JKGE Cc1cc([C@H](Cl)c2cc(Br)c(C)cc2Br)ccc1Br 137918330 SKLCRJFFCTXAER-HNNXBMFYSA-N 467.426 6.919 50 10 JKGE CCOc1cc(/C=N\NC(=O)c2c(C)ccc3ccccc23)ccc1OCc1ccc(C)cc1 169921563 XOFRGLATBQHNMC-YKQZZPSBSA-N 452.554 6.198 50 10 JKGE CCc1ccc(CC)c([C@H](Br)c2cc(Cl)ccc2I)c1 234183812 BFXGSTKGUZEEJF-KRWDZBQOSA-N 463.584 6.554 50 10 JKGE Clc1ccccc1C[C@H](Cl)c1cc(Br)ccc1I 236021403 RPOKOZOLLDPGBQ-ZDUSSCGKSA-N 455.948 6.230 50 10 JKGE Cl[C@H](c1cc(Br)cc(Br)c1)c1csc2c(Br)cccc12 236038407 XZRRFQHDQPNKJL-CQSZACIVSA-N 495.461 7.517 50 10 JKGE CC[C@H](N/C=C(/C#N)C(=O)Nc1ccccc1Sc1ccccc1)c1ccc2c(c1)CCCC2 253317826 AOKULPMGPLFFLD-VNGCWQDASA-N 467.638 6.803 50 10 JKGE O=C1Cc2cc([C@H](Br)c3cccc(OCc4ccccc4)c3)c(Br)cc2N1 312751659 WENXHLYNBFLHEV-JOCHJYFZSA-N 487.191 6.007 50 10 JKGE Cc1ccc(Br)cc1C[C@@H](CBr)Cc1cccc(Br)c1 313716265 QPEZRPWCPYHJCO-AWEZNQCLSA-N 461.035 6.316 50 10 JKGE CN(Cc1ccccc1)CC(C)(C)n1c(CCCl)nc2cc(I)ccc21 379612564 USXNLMXKRXGVAO-UHFFFAOYSA-N 481.809 5.289 50 10 JKGE COc1ccc([C@@H](Br)c2ccc(OCc3ccccc3)cc2)c(OC)c1Br 380516218 AVLLTAOMBKGWQE-FQEVSTJZSA-N 492.207 6.530 50 10 JKGE C[C@@H]1CN(Cc2ccccc2)C[C@H]1n1c(CCCl)nc2ccc(F)c(Br)c21 689747021 WZSYZEPTBVAGIG-RDTXWAMCSA-N 450.783 5.412 50 10 JKGE C[C@H](Cl)c1nc2ccc(F)c(Br)c2n1[C@]1(C)CCN(Cc2ccccc2)C1 689801520 WIUOZNZGUQELAK-LHSJRXKWSA-N 450.783 5.859 50 10 JKGE Brc1ccccc1C[C@@H](Br)c1csc2c(Br)cccc12 692449899 ZPDPLHSWPFVQCQ-OAHLLOKOSA-N 475.043 7.105 50 10 JKGE Brc1csc([C@@H](Br)c2cnn(-c3ccccc3)c2)c1Br 705448056 ONSIUGLYVODHMD-LBPRGKRZSA-N 477.019 5.943 50 10 JKGE BrCc1ccc(Br)cc1N1CC[C@@H]2[C@H](CCCN2Cc2ccccc2)C1 715015039 NYTMLOBGEWMQPB-TZIWHRDSSA-N 478.272 5.835 50 10 JKGE Clc1ccc(I)c(CN2CC[C@H]3CC[C@H](Br)[C@H]2C3)c1 721545758 IPQPKTXRGSMCRD-RIEGTJTDSA-N 454.577 5.083 50 10 JKGE CCCCCCCCCCOc1ccc(C(=O)NN=Cc2ccc(OCC(=O)O)c(OC)c2)cc1 1083994003 VELOEEMKGRBPIU-UHFFFAOYSA-N 484.593 5.442 50 10 JKGE CCN(CC)c1ccc(C=NNC(=O)C=C(Sc2ccccc2)Sc2ccccc2)c(O)c1 1084038151 IOEMPQJIHOYMJK-UHFFFAOYSA-N 477.655 6.115 50 10 JKGE C=CCc1cc(C=NNC(=O)c2cc3ccccc3o2)cc(OC)c1OCc1cccc(C)c1 1084397090 CELVAJQFZDVHKS-UHFFFAOYSA-N 454.526 5.821 50 10 JKGE N#C/C(=C/c1ccccc1OCc1ccc(Cl)c(Cl)c1)C(=O)Nc1cccc(Cl)c1 1084410908 ACPUUBICMHHKTK-BOPFTXTBSA-N 457.744 6.771 50 10 JKGE Cc1cc(C)c2c(CC(=O)NN=C3CCCc4oc(C(=O)Nc5cccc(C)c5C)c(C)c43)coc2c1 1772752198 YHAIPVXYGJWYPQ-UHFFFAOYSA-N 497.595 6.220 50 10 JKGE COc1cc(C=NNC(=O)COc2ccc(C)c(C)c2)cc(Br)c1OCc1ccccc1 1772753895 DTWINIVKMINHPY-UHFFFAOYSA-N 497.389 5.183 50 10 JKGE N#CSc1ccc(NC(=O)c2cccc(NC(=O)CCCc3ccc(Cl)cc3)n2)cc1 1860567124 UAZJETNKNNTNBV-UHFFFAOYSA-N 450.951 5.522 50 10 JKGE CCn1nc(-c2ccccc2)c2c1OC(N)=C(C#N)[C@H]2c1ccc(OCc2ccc(Cl)cc2)cc1 1865694881 DQEQNNBZRRLHED-XMMPIXPASA-N 482.971 6.021 50 10 JKGE N#CC1=C(N)Oc2c(c(C(F)(F)F)nn2-c2ccccc2Cl)[C@@H]1c1c[nH]c2ccccc12 1865699818 DCCIGWXMPHDQEM-KRWDZBQOSA-N 455.827 5.244 50 10 JKGE CCCc1nn(-c2ccc(Cl)cc2)c2c1[C@@H](c1cc(Cl)c(O)c(OC)c1)C(C#N)=C(N)O2 1865707436 XBDTZHPIKQNNJW-IBGZPJMESA-N 471.344 5.064 50 10 JKGE COc1ccc(-c2nn(Cc3cc(C)ccc3C)c3c2[C@@H](c2cccc(F)c2)C(C#N)=C(N)O3)cc1 1865711315 VLNYVPVQTOSFSY-VWLOTQADSA-N 480.543 5.581 50 10 JKGE CSCC[C@@H](NC(=O)C[C@H](c1ccc(F)c(C)c1)C(C)C)C(=O)Nc1ccc(SC#N)cc1 1866766253 LOHXMGBNIQLNEP-JTHBVZDNSA-N 487.666 5.714 50 10 JKGE N#CSc1ccc(NC(=O)[C@@H](NC(=O)CCc2csc(-c3ccccc3)n2)c2ccccc2)cc1 1867047887 RETKNUWSTWYYNB-VWLOTQADSA-N 498.633 5.812 50 10 JKGE CCn1cc(/C=C2\Oc3c(ccc(OCc4ccc(CCl)cc4)c3C)C2=O)c2ccccc21 1871436514 BVZOHWQOIIHQFL-WGARJPEWSA-N 457.957 6.904 50 10 JKGE CC(C)[C@H](/C(O)=C(\C#N)c1nc(-c2ccc(Cl)c(Cl)c2)cs1)N1C(=O)c2ccccc2C1=O 1872748804 OKVKUGYODQYILX-JSZIULHXSA-N 498.391 6.230 50 10 JKGE N#C/C(=C(/O)c1ccc(-n2cccc2)cc1)c1nc(-c2ccc(Oc3ccccc3)cc2)cs1 1872753877 RGKRUGSWVPWTBT-RFBIWTDZSA-N 461.546 7.343 50 10 JKGE COc1c(C)cc(C)cc1-c1csc(/C(C#N)=C(O)/C(=C\c2ccccc2)c2ccccc2)n1 1872754978 SHBBMIURWAYVLA-WOARFCOISA-N 464.590 7.469 50 10 JKGE CCOc1ccc(-c2csc(/C(C#N)=C(\O)[C@H]3CC(=O)N(Cc4ccccc4)C3)n2)c(OCC)c1 1872755620 XBLRVYDELOSTEC-HMWBEYIWSA-N 489.597 5.449 50 10 JKGE COc1cc(OC)c(-c2csc(/C(C#N)=C(\O)[C@H](C)Oc3ccc(C(C)C)cc3)n2)cc1Cl 1872756502 MRBWHYGTPUPRCF-KHJVFXTQSA-N 485.005 6.864 50 10 JKGE CC1(C)C[C@@]1(Cl)[C@H](Br)c1cc(Br)ccc1OCc1ccccc1 1899856410 HZQBCYYOPVHMNX-IEBWSBKVSA-N 458.621 6.872 50 10 JKGE CC[C@H](Cl)c1c(Br)c(Br)cc(Br)c1Br 1906131971 MZKQIODRAUPHLO-LURJTMIESA-N 470.224 6.427 50 10 JKGE C[C@H](CBr)N(Cc1ccccc1)C(=O)c1ccc(I)c(Cl)c1 1914225839 ARCAVOHKUZSFBH-GFCCVEGCSA-N 492.582 5.370 50 10 JKGE C[C@@H](CBr)N(Cc1ccccc1)S(=O)(=O)c1ccc(Cl)c(Br)c1 1914354470 YXTPOYHQNOBIBL-LBPRGKRZSA-N 481.637 5.077 50 10 JKGE Cc1c(C(F)(F)F)cccc1S(=O)(=O)N(Cc1ccccc1)[C@H](C)CCBr 1915100740 KHSWZUBDWLSEPE-CQSZACIVSA-N 464.347 5.378 50 10 JKGE Cc1sc(C)c(S(=O)(=O)N(Cc2ccccc2)C(C)(C)CBr)c1Br 1915754709 BQPYZJPTCOISHC-UHFFFAOYSA-N 495.302 5.492 50 10 JKGE CS(=O)(=O)c1cccc([C@@H](Br)c2sc(Br)cc2Br)c1 1922954364 NKIDUROCGIHQGT-LLVKDONJSA-N 489.048 5.161 50 10 JKGE FC1CCC([C@@H](Cl)c2c(Br)sc(Br)c2Br)CC1 1924617195 ZCZIGHCAEKBEGN-GVNUUABZSA-N 469.439 6.844 50 10 JKGE C[C@@H](Cl)c1nc2cc(I)ccc2n1-c1csnc1Br 1926861258 AGNVFCQXNIUNIE-ZCFIWIBFSA-N 468.545 5.149 50 10 JKGE C[C@@H]1CCN(Cc2ccccc2)CCN1c1cccc(Br)c1CBr 1947755215 PCOBDUVUEZOUFB-MRXNPFEDSA-N 452.234 5.445 50 10 JKGE Cc1c(Br)ccc([C@H](Cl)c2nscc2Br)c1Br 2024292491 BUTQYNWJRCZHTL-JTQLQIEISA-N 460.416 6.067 50 10 JKGE CC1([C@@H](Br)c2cc(Br)sc2Br)CCCCCCC1 2052513416 SEHSCPVIZLEYBT-LBPRGKRZSA-N 459.085 7.460 50 10 JKGE CC(C)C1CCC(CI)(OCCOCCOCc2ccccc2)CC1 2056734528 YUPVLKRLUPFWAZ-UHFFFAOYSA-N 460.396 5.256 50 10 JKGE COCc1ccccc1[C@H](Br)c1cc(Br)sc1Br 2071277559 WTDQEKKCMOMNFD-LBPRGKRZSA-N 455.009 5.904 50 10 JKGE CC(C)(C)OC(=O)N1C[C@H](I)[C@H](OC[C@@H]2C[C@@H]2C2CCCCCC2)C1 2080297059 KAGKVPIKJTURKY-XWTMOSNGSA-N 463.400 5.032 50 10 JKGE Cc1cc(Br)c(C)c([C@@H](Cl)c2ncsc2Br)c1Br 2081074333 RLHAZXJEPISNCD-SNVBAGLBSA-N 474.443 6.376 50 10 JKGE Cc1ccc([C@@H](Br)c2ccc(Br)cc2I)c(C)c1 2086148890 HJCGNRHGVSLKIW-OAHLLOKOSA-N 479.981 6.155 50 10 JKGE Cn1ncc(Br)c1COc1c(Br)cc(CCl)cc1Br 2087326105 ZHXRSSFNAIXZQO-UHFFFAOYSA-N 473.390 5.025 50 10 JKGE Cc1cc(CCl)cc(S(=O)(=O)N(Cc2ccccc2)[C@H](C)C(C)C)c1Br 2095909789 VFOFNYDDXPJNMJ-MRXNPFEDSA-N 458.849 5.732 50 10 JKGE Cc1cc(Br)c([C@@H](Br)[C@@H]2CC3(CCC3)CO2)cc1Br 2110158842 UAIVSKSGYMKUFP-UONOGXRCSA-N 453.012 5.915 50 10 JKGE Cn1cnc2sc([C@H](Br)c3c(Cl)sc(Br)c3Cl)cc21 2118609025 LQJPXOYCKARIOW-ZETCQYMHSA-N 461.031 6.250 50 10 JKGE Cc1cc(Br)c(C)c([C@H](Cl)c2cc(Cl)sc2Cl)c1Br 2136369664 FKAJIMKNJRSNDQ-GFCCVEGCSA-N 463.449 7.525 50 10 JKGE CC[C@@H]1CC[C@@H](COc2c(Br)cc(Br)cc2CBr)O1 2136743605 WXIYCLXSLJTHBI-NEPJUHHUSA-N 457.000 5.443 50 10 JKGE COc1cc(Cl)c([C@H](Cl)c2ccccc2I)cc1Br 2137662746 PBHBNLIQNUBMAC-CQSZACIVSA-N 471.947 6.044 50 10 JKGE FC(F)(F)c1ccc([C@H](Cl)c2cc(Br)c(Br)s2)cc1Cl 2146763836 RSNWWYCLAYCTNS-JTQLQIEISA-N 468.947 7.274 50 10 JKGE CC(C)(CBr)[C@H]1CCCN1C(=O)c1c(Br)cccc1Br 2155842508 XINQRSJSXLFYOJ-GFCCVEGCSA-N 468.027 5.237 50 10 JKGE CCOc1ccc([C@@H](Br)c2c(Br)sc(C)c2C)cc1Br 2157250367 DKQGRAYDWUDOCV-CQSZACIVSA-N 483.063 6.773 50 10 JKGE O=C(NC[C@H]1CCCC[C@H](Br)C1)c1ccc(Br)cc1Br 2163745258 GNJJOCIKJHPZMG-QWRGUYRKSA-N 468.027 5.285 50 10 JKGE CCC(CC)(CBr)CN1CC[C@H](C(F)(F)F)C[C@@H]1CNC(=O)OC(C)(C)C 2163833753 CHVSJZMKLKQQLI-LSDHHAIUSA-N 459.391 5.355 50 10 JKGE Cn1nc([C@@H](Br)c2csc3c(Br)cccc23)c(Br)c1Cl 2167050438 KZAYQZRHPMASMK-VIFPVBQESA-N 499.453 6.298 50 10 JKGE CN(C(=O)c1ccc(Br)cc1Br)[C@H]1CCCCC[C@@H]1Br 2172546958 KFLIMVMFKQPFSK-JSGCOSHPSA-N 468.027 5.380 50 10 JKGE O=C(c1cc(Br)ccc1Br)N1C[C@H](Br)CCC12CCC2 2174540730 RARXEMYWVNPGJD-LLVKDONJSA-N 466.011 5.134 50 10 JKGE CC(C)[S@](=O)(=NCC1(CBr)CCCCC1)[C@@H]1CCN(C(=O)OC(C)(C)C)C1 2183213956 ABXMYXFFKZBAFN-XGCWNURASA-N 465.498 5.218 50 10 JKGE Cc1cc(C)c([C@H](Br)c2c(Br)nn(C)c2C)c(C)c1Br 2188149250 YJFULZOXNVODLZ-AWEZNQCLSA-N 465.027 5.663 50 10 JKGE ClC[C@]12CCCC[C@@H]1N(c1ncc(I)cc1Br)CCC2 2189902771 ZMVPRXMUPAUUBO-DZGCQCFKSA-N 469.592 5.217 50 10 JKGE O=C(N[C@@H](CBr)[C@H]1CC=CCC1)c1cc(Br)ccc1Br 2196158424 YNSGHFLNETVMDI-HZMBPMFUSA-N 466.011 5.061 50 10 JKGE Cc1nn(C)c(Br)c1[C@H](Br)c1c(Br)cc(F)c(Cl)c1F 2201618419 IXEZHQBLWLWEQZ-VIFPVBQESA-N 493.371 5.669 50 10 JKGE O=C(c1cc(Br)sc1Br)N1CC[C@@H]2CC[C@@H](Br)C[C@H]2C1 2204092066 BVNKUPSQYKNTFJ-LPEHRKFASA-N 486.067 5.299 50 10 JKGE CC[C@]12CO[C@](COc3c(Br)cc(Br)cc3CBr)(C1)C2 2205263116 RSUOICYZUXSVQU-GASCZTMLSA-N 469.011 5.445 50 10 JKGE Cc1c(Br)csc1[C@@H](Cl)c1cc(Br)c(Br)s1 2210635289 HMHUMFJIRAMFSE-QMMMGPOBSA-N 465.457 6.734 50 10 JKGE Cc1cc([C@H](Br)c2sc(C)c(C)c2Br)sc1Br 2215947007 YBDHALXEWBNMJC-JTQLQIEISA-N 459.066 6.744 50 10 JKGE Fc1cc(Br)c(Br)cc1[C@H](Br)[C@@]12CCC[C@H]1OCC2 2225615924 BCHMIHLWTOWFLF-HZSPNIEDSA-N 456.975 5.746 50 10 JKGE Cc1cc(Br)c([C@@H](Br)C2CCC(F)CC2)c(C)c1Br 2227363217 VJMXPDFFULPOCR-NWHVRFAMSA-N 457.019 6.793 50 10 JKGE COc1c(C)cc(Br)cc1[C@@H](Br)c1sc(C)cc1Br 2229317375 ICVJBWMFNINRIM-GFCCVEGCSA-N 469.036 6.383 50 10 JKGE Cc1cccc(C[C@@H](Br)c2c(Br)cc(C)c(Br)c2C)c1 2235598990 JZLCLHGUCVPLKE-OAHLLOKOSA-N 461.035 6.816 50 10 JKGE Cl[C@@H](c1ccc(Br)cc1Br)c1ccc2c(c1Br)CCO2 2238072672 ZICQSGMWELPRSQ-HNNXBMFYSA-N 481.409 6.237 50 10 JKGE Brc1ccccc1[C@@H](CI)O[C@@H]1CCN(Cc2ccccc2)C1 2244803280 YGHHTDVOBOKCFF-VQIMIIECSA-N 486.191 5.216 50 10 JKGE Fc1cc(Br)cc(OC2CCN(Cc3ccccc3)CC2)c1CBr 2250363981 HXYWBVXEOIXCTK-UHFFFAOYSA-N 457.181 5.527 50 10 JKGE CC(C)(CCF)[C@@H](Br)c1c(F)cc(Br)c(F)c1Br 2260005971 NMKRFFASCLBDFZ-NSHDSACASA-N 452.934 6.312 50 10 JKGE Brc1ccc([C@H](Br)Cc2cc(Br)cc(Br)c2)cc1 2263451241 VRJSOPBQSMAXCU-CQSZACIVSA-N 497.850 6.653 50 10 JKGE Cc1cc(Br)c([C@@H](Br)c2cc(Br)c(Cl)s2)c(C)c1F 2264469739 XHPUXDPBXHOWIL-NSHDSACASA-N 491.445 7.167 50 10 JKGE FC1(F)C[C@@H]([C@H](Cl)c2c(Br)sc(Br)c2Cl)C12CCC2 2266145187 SKLWTQFHZUSUNZ-FSPLSTOPSA-N 454.989 7.032 50 10 JKGE ClCCCCC1CCN(c2ncc(I)cc2Br)CC1 2267971559 NNYDLNUAJAWFPK-UHFFFAOYSA-N 457.581 5.074 50 10 JKGE COc1c(C)cc(Br)c(C)c1[C@@H](Br)c1cc(Br)co1 2270463292 FXUDJJBJOXTPEP-ZDUSSCGKSA-N 452.968 5.914 50 10 JKGE C[C@H]1Cc2cc([C@@H](Br)c3ccc(Cl)c(I)c3)ccc2O1 2283573315 IMRAOLPYKFTFJN-XXFAHNHDSA-N 463.540 5.752 50 10 JKGE Fc1cc(Br)c(F)c(Br)c1[C@H](Br)[C@H]1C[C@@H]2CCC[C@@H]2C1 2288365985 YHAQTSNLRRRFJC-LOKDSWTASA-N 472.993 6.752 50 10 JKGE N#CC(=Cc1ccc(OCc2c(Cl)cccc2Cl)cc1)C(=O)NCc1ccc2c(c1)OCO2 2295672630 FFMSXRUWJWXYFV-UHFFFAOYSA-N 481.335 5.524 50 10 JKGE Cc1cc(Br)c([C@H](Cl)c2ccc(OCc3ccccc3)cc2Br)s1 2299493219 KMHKZXNFTVEEAD-GOSISDBHSA-N 486.656 7.489 50 10 JKGE COc1ccc([C@@H](Br)c2ccc(OCc3ccccc3)cc2Br)s1 2299511969 XRVCSHCAFWUZSN-IBGZPJMESA-N 468.210 6.583 50 10 JKGE Cn1cc(Cl)c([C@H](Br)c2ccc(OCc3ccccc3)cc2Br)n1 2299534854 IJFIZCHXJLPADJ-QGZVFWFLSA-N 470.592 5.899 50 10 JKGE Cc1nc(Br)c([C@@H](Br)c2cc(Br)c(Cl)s2)n1C 2300267564 LQMKYQWITYTFKY-ZETCQYMHSA-N 463.420 5.453 50 10 JKGE Clc1cc(Br)ccc1C[C@H](Br)c1cnsc1Br 2300334050 NISCKTWUOJEKMR-VIFPVBQESA-N 460.416 6.000 50 10 JKGE Brc1cc(CO[C@H]2CCCC[C@H]2Br)ccc1I 2306300475 AZYNDACQDHYVNW-MFKMUULPSA-N 473.974 5.276 50 10 JKGE N#CC(=Cc1cc(Cl)ccc1OCc1ccc(Br)cc1)C(=O)Nc1ccccc1 2313630247 BHAYLOYIMICPKC-UHFFFAOYSA-N 467.750 6.227 50 10 JKGE CCOc1cc(C=C(C#N)C(=O)N[C@H](C)c2ccccc2)ccc1OCc1ccc(Cl)cc1Cl 2313671247 VKUKHRCSSQNRRI-GOSISDBHSA-N 495.406 6.755 50 10 JKGE FC1(F)CCCC[C@@H]1[C@@H](Br)c1ccc(OCc2ccccc2)cc1Br 2314449716 SCTXKXFVNSSLJE-MJGOQNOKSA-N 474.183 7.290 50 10 JKGE CCc1ccc(N2C(=O)[C@@H](Cc3ccc(C)c(C)c3)SC2=C(C#N)C(=O)NCc2ccco2)cc1 2314593772 SLEOKSUXKBPWOJ-RUZDIDTESA-N 485.609 5.202 50 10 JKGE COc1ccc(-c2nn(-c3ccccc3)cc2C=C2C(=O)N(C3CCCC3)C(=O)C(C#N)=C2C)c(C)c1 2314616448 ARXFCKLGGOIZEV-UHFFFAOYSA-N 492.579 5.391 50 10 JKGE CCCCCOc1ccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)C=Cc4ccc(C)cc4)ccc32)cc1 2314640680 LTXQGIQRZHZLKD-PMERELPUSA-N 494.591 6.401 50 10 JKGE CCCCNC(=O)C(C#N)=Cc1ccc(OC(=O)COc2ccc(C(C)(C)c3ccccc3)cc2)cc1 2314785079 CPWAETMNXPRYMG-UHFFFAOYSA-N 496.607 5.820 50 10 JKGE Fc1c(Br)cc(Cl)c([C@H](Br)C2C[C@H]3C[C@@H]3C2)c1Br 2315457402 BVPIZMYHQXVFAJ-WHHMAUIRSA-N 461.394 6.486 50 10 JKGE CCOc1ccc(OCC(=O)Oc2ccc(C=C(C#N)c3ccccc3OC)cc2OC)cc1 2320506238 FKONJMXLRURJNE-UHFFFAOYSA-N 459.498 5.151 50 10 JKGE CC(=NNC(=O)c1ccc(-c2ccc(Cl)c(Cl)c2)nc1C)c1ccc2c(c1)OCCO2 2321281160 WRSYZJVXLZBBSP-UHFFFAOYSA-N 456.329 5.289 50 10 JKGE Fc1cc([C@H](Br)c2sc(Cl)cc2Br)c(Cl)cc1Cl 2326684694 FCXVUYVHOIENBG-JTQLQIEISA-N 453.385 7.094 50 10 JKGE N#CC(=Cc1ccc(Br)cc1)C(=O)Nc1cc(Cl)ccc1Oc1ccccc1 2329662450 XVQNZHDKZHABGZ-UHFFFAOYSA-N 453.723 6.440 50 10 JKGE COc1cc(C=C(C#N)c2nc(O)c3ccccc3n2)ccc1OCc1c(Cl)cccc1Cl 2331030094 RBBJMMPWESEMQU-UHFFFAOYSA-N 478.335 6.294 50 10 JKGE CCCCCCCOc1ccc(-c2csc(C(C#N)=C(O)CCc3ccc(Cl)cc3)n2)cc1 2331345914 JIXSXCQMZFCHOY-UHFFFAOYSA-N 481.061 8.238 50 10 JKGE COc1c(C)cc(Cl)cc1-c1csc(C(C#N)=C(O)c2ccccc2C(=O)c2ccccc2)n1 2331391914 USVXJTUNEKIONA-UHFFFAOYSA-N 486.980 6.961 50 10 JKGE Cc1ccc(C(C)(C)C)cc1-c1csc(C(C#N)=C(O)[C@@H](C(C)C)N2C(=O)c3ccccc3C2=O)n1 2331396324 LUHYBXWBNLCXEJ-XMMPIXPASA-N 499.636 6.530 50 10 JKGE CCc1ccc(-c2csc(C(C#N)=Cc3ccccc3OCc3ccc(Cl)cc3)n2)cc1 2331417703 KMUPZJGVUUNHOK-UHFFFAOYSA-N 456.998 7.669 50 10 JKGE CCCCCCCOc1ccc(-c2csc(C(C#N)=Cc3ccc(Br)cc3)n2)cc1 2331460466 FZFPYJASINEAIM-UHFFFAOYSA-N 481.459 7.986 50 10 JKGE CCOc1ccc(C=C(C#N)c2nc(-c3ccc(OC)c4ccccc34)cs2)cc1OCC 2331489115 AFYGATCFPSPOTC-UHFFFAOYSA-N 456.567 6.833 50 10 JKGE COc1cc(C=C(C#N)c2nc(-c3ccc(OC)c(OC)c3OC)cs2)cc(Cl)c1O 2331492685 GSLMCGLFIMURQA-UHFFFAOYSA-N 458.923 5.268 50 10 JKGE FC1(F)CC[C@@H]1C[C@@H](Br)c1c(Br)cc(Cl)c(Cl)c1Cl 2335422017 NYDBCMZLSVAYMR-PHDIDXHHSA-N 457.367 7.281 50 10 JKGE Cc1ccc(F)c([C@H](Br)c2cc(Br)ccc2OCc2ccccc2)c1F 2336074729 JFXZAWKFSUPAAD-HXUWFJFHSA-N 482.162 7.099 50 10 JKGE Cc1cc(F)c(Br)cc1[C@@H](Cl)c1cc(Br)ccc1OCc1ccccc1 2336080441 KPLMOHFOIXJKHI-OAQYLSRUSA-N 498.617 7.566 50 10 JKGE Cl[C@@H](c1c(Br)sc(Br)c1Br)[C@@H]1COC2(CCC2)CO1 2338782457 FYRUJSFGIFEMPH-IMTBSYHQSA-N 495.458 5.654 50 10 JKGE Cc1cc(Br)c(F)c(Br)c1[C@H](Br)C[C@@H]1CCO[C@@H]1C 2339656242 LXJLOLUUODFMOK-KXUCPTDWSA-N 458.991 5.910 50 10 JKGE ClCC1(Cc2ccc(I)c(Br)c2)CC2(C1)CC21CC1 2349838053 AHUNOBDPLMAVFW-UHFFFAOYSA-N 451.573 5.786 50 10 JKGE Fc1cc(Cl)c(Br)c(Cl)c1[C@H](Br)c1ccc(Cl)c(Cl)c1 2360426596 NBQPLUBGJVEHJI-LLVKDONJSA-N 481.801 7.686 50 10 JKGE CCCc1nnsc1COc1c(Br)cc(CBr)cc1Br 2361030456 SQJOKOUKZLFLHH-UHFFFAOYSA-N 485.039 5.490 50 10 JKGE FC(F)(F)Oc1ccc(OC[C@@H]2CC2(Br)Br)c(CBr)c1 2361042984 DISIKTHXSIYLLP-QMMMGPOBSA-N 482.916 5.365 50 10 JKGE Brc1ccc(OCc2ccccc2)c([C@H](Br)Cc2ccc3c(c2)CCO3)c1 2361168618 NFTUZEFRSWOOKA-OAQYLSRUSA-N 488.219 6.642 50 10 JKGE COc1c([C@@H](Cl)c2c(Cl)cc(Br)c(F)c2Br)csc1C 2362223407 IVSFKOHNNAMGNS-LLVKDONJSA-N 462.993 6.711 50 10 JKGE Fc1c(Br)cc(Cl)c([C@H](Br)[C@]23COC[C@H]2C3(F)F)c1Br 2362227587 HBTBIEZQZRSCAK-DADVEIPYSA-N 499.346 5.722 50 10 JKGE CC12CC(C1)[C@@H]([C@H](Br)c1c(F)cc(Br)c(F)c1Br)CO2 2362892356 FQHXWZWMGVYKHA-RTUBUFATSA-N 474.965 5.741 50 10 JKGE CCc1ccc([C@H](Br)c2c(C)cc(Br)c(OC)c2Br)s1 2365188379 KQBZROJILJJLOS-ZDUSSCGKSA-N 483.063 6.637 50 10 JKGE Cc1sc(Br)c([C@@H](Br)CCc2cc(Cl)cc(Cl)c2)c1C 2366888799 HHXCUSJGYLIYID-ZDUSSCGKSA-N 457.058 7.503 50 10 JKGE Fc1ccc(I)cc1[C@H](Br)CCc1cc(Cl)cc(Cl)c1 2366900844 YVXBRLXJTWEYGB-CQSZACIVSA-N 487.965 6.806 50 10 JKGE Fc1cccc(C[C@H](CBr)Cc2cc(I)ccc2Cl)c1 2380531481 QAQXLVLUSIRKTA-LBPRGKRZSA-N 467.547 5.880 50 10 JKGE CCN(CC)S(=O)(=O)c1ccc(C(=O)Oc2cccc(/C=C(/C#N)c3ccccc3OC)c2)cc1 31902702 NABDZWYMRJKARR-XLNRJJMWSA-N 490.581 5.009 50 10 JKGE CCCCOc1ccc(/C=C(/C#N)C(=O)Nc2sc3c(c2C(=O)OCC)CCCC3)cc1 33346418 WZRDWNQAKGAWEB-SDXDJHTJSA-N 452.576 5.528 50 10 JKGE COc1cc(/C=C(/C#N)C(=O)Nc2ccc([N+](=O)[O-])cc2C)ccc1OCc1ccccc1F 33595104 DLMZZAXFWCCQAS-UNOMPAQXSA-N 461.449 5.176 50 10 JKGE CCCCOc1ccccc1[C@H]1C(C#N)=C(N)Oc2cc(OC(=O)c3cccc(OCC)c3)ccc21 38683005 KUHYEXGGEJNWLY-HHHXNRCGSA-N 484.552 5.702 50 10 JKGE CCCCC1CCC(C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@@H]3c2c(F)cccc2Cl)CC1 38700608 KYHSGHAQSJJECM-XSVIMGFGSA-N 482.983 6.599 50 10 JKGE CC(C)(C)c1ccc(/C=N/NC(=O)COc2ccc(Br)cc2Br)cc1 40858703 VVGHTEYZLVVFDH-SSDVNMTOSA-N 468.189 5.038 50 10 JKGE O=C(CC[C@@H](O)c1ccccc1)N/N=C\c1cc(Cl)c(OCc2ccccc2)c(Cl)c1 58889389 GQFSDCKCASMXML-RJNBOEKGSA-N 457.357 5.536 50 10 JKGE CCOc1ccc(/C=N/NC(=O)c2ccc(-n3c(C)ccc3-c3ccccc3)cc2)cc1OCC 59680189 LKYNUGDLRBSKQZ-TWKHWXDSSA-N 467.569 6.014 50 10 JKGE CCc1nn(CC)c(COc2ccc(CBr)cc2Br)c1Br 91342428 IBYVNPHJVOHZBH-UHFFFAOYSA-N 481.026 5.464 50 10 JKGE CC1=C(C#N)C(=O)N([C@@H](C)c2ccccc2)C(=O)/C1=C/c1ccc(-c2cc(Cl)ccc2Cl)o1 101337822 ZKYQNVKCWQHASX-UOEVCUDDSA-N 477.347 6.607 50 10 JKGE COc1ccc(CN2C(=O)C(C#N)=C(C)/C(=C\c3ccc(-c4ccc(Cl)cc4)o3)C2=O)cc1 101339990 ODTJTUHYYDTQMI-LPYMAVHISA-N 458.901 5.401 50 10 JKGE Cc1ccc(C[C@H]2S/C(=C(\C#N)C(=O)Nc3ccccc3Cl)N(c3ccccc3)C2=O)cc1 102666107 GJTZINGSABFQQO-SLSCBCEPSA-N 473.985 5.713 50 10 JKGE BrCc1cc(OCCOc2ccc(Br)cc2)ccc1Br 129063995 GQQKNJWVLVHTQQ-UHFFFAOYSA-N 464.979 5.564 50 10 JKGE N#C/C(=C/Nc1ccc(Cl)cc1Cl)C(=O)N1CCN(C(c2ccccc2)c2ccccc2)CC1 216487736 ZOODGFRVPUVCNE-QOCHGBHMSA-N 491.422 5.747 50 10 JKGE COc1ccccc1C[C@H](Br)c1cc(Cl)ccc1I 234898790 FGXCUHLMADARPR-ZDUSSCGKSA-N 451.529 5.632 50 10 JKGE COc1ccc([C@H](Br)c2cc(Br)sc2Br)c(C)c1 234992766 CMONVBPSYWZOFK-LBPRGKRZSA-N 455.009 6.074 50 10 JKGE Cl[C@H](c1cc(I)ccc1Br)c1cccc2ccccc12 236039541 YGNYSWGPOPDHDR-KRWDZBQOSA-N 457.536 6.535 50 10 JKGE CCOc1cc(C=NNC(=O)COc2ccc(-c3ccccc3)cc2)ccc1OCc1ccccc1 254486266 ZNEHSBPGSARLMN-UHFFFAOYSA-N 480.564 5.860 50 10 JKGE CC(=NNC(=O)CSc1nnc(SCc2cccc3ccccc23)s1)c1ccc(F)cc1 254799050 SBKOYHKIQIJFGQ-UHFFFAOYSA-N 482.631 5.755 50 10 JKGE COc1cc(Cl)c([C@H](Br)c2cccc(OCc3ccccc3)c2)cc1Cl 311900119 ATDWCCDNJGAHRL-OAQYLSRUSA-N 452.175 7.065 50 10 JKGE CC(C)(C)OC(=O)NCCN1CCOC[C@@H](c2ccc(CCO[Si](C)(C)C(C)(C)C)cc2)C1 616664466 UKJVKJCUMYSEJC-QHCPKHFHSA-N 478.750 5.191 50 10 JKGE COc1cc(/C=C\C(=O)Oc2ccc([N+](=O)[O-])cc2)ccc1OCc1c(F)cccc1Cl 1082442270 XGYWMEUSGCTPCX-SDQBBNPISA-N 457.841 5.594 50 10 JKGE Cc1cc(C)c(C(CSc2nc3ccccc3[nH]2)=NNC(=O)c2cccc([N+](=O)[O-])c2)cc1C 1084382427 LDAWXZUWEBMFDA-UHFFFAOYSA-N 473.558 5.323 50 10 JKGE CC1(C)Cc2cc(NC(=O)NN=C(Cc3ccccc3)c3ccc(OC(F)F)cc3)ccc2O1 1088733797 HTRSVHODHMPWGV-UHFFFAOYSA-N 465.500 5.770 50 10 JKGE CC1(C)CON(Cc2ccccc2C[P+](c2ccccc2)(c2ccccc2)c2ccccc2)C1=O 1615216381 AVOREXZJONREBU-UHFFFAOYSA-N 480.568 5.481 50 10 JKGE COc1cc(C=NNC(=O)[C@H](C)Oc2ccc(C(C)(C)C)cc2)ccc1OCc1ccc(Cl)cc1 1772756463 ZJOQOSBGJGGWKA-IBGZPJMESA-N 495.019 6.143 50 10 JKGE N#CSc1ccc(NC(=O)Oc2cccc3c(NC(=O)CC4CCCCC4)cccc23)cc1 1858776478 GCNHMXJKYLBXIN-UHFFFAOYSA-N 459.571 6.933 50 10 JKGE Cc1cc(C(=O)Nc2cccc3c(OC(=O)Nc4ccc(SC#N)cc4)cccc23)ccc1N(C)C 1858779829 PLDPSCQUOMULIB-UHFFFAOYSA-N 496.592 6.651 50 10 JKGE N#CC1=C(N)Oc2c(c(-c3ccccc3)nn2Cc2ccccc2)[C@H]1c1cccc2ccccc12 1865682633 UCAGAMKJPBESNY-SANMLTNESA-N 454.533 5.970 50 10 JKGE Cc1nn(Cc2ccc(Cl)c(Cl)c2)c2c1[C@H](c1ccc(C(C)(C)C)cc1)C(C#N)=C(N)O2 1865683638 GTIVSZAYLRNBOL-JOCHJYFZSA-N 467.400 6.062 50 10 JKGE CCCCOc1ccc([C@H]2C(C#N)=C(N)Oc3c2c(C)nn3-c2ccc(Cl)cc2)cc1OCC 1865687366 PQWKTPRBKHARCW-DEOSSOPVSA-N 478.980 5.630 50 10 JKGE CCOC(=O)c1c(-c2ccc(F)cc2)csc1NC(=O)/C(C#N)=C/c1cccc(Br)c1 1866131635 FXYFGOUSTVHQRE-MHWRWJLKSA-N 499.361 6.039 50 10 JKGE N#CSc1ccc(NC(=O)[C@@H](NC(=O)CCc2csc(-c3ccccn3)n2)c2ccccc2)cc1 1867057712 USMYRMXGAACDIA-DEOSSOPVSA-N 499.621 5.207 50 10 JKGE COc1c(Cl)cc(-c2csc(/C(C#N)=C(\O)Cc3ccc(F)cc3F)n2)cc1Cl 1872755780 FOVLQDNMZKDUQV-AQTBWJFISA-N 453.297 6.439 50 10 JKGE COc1cc(Cl)c(C)cc1-c1csc(/C(C#N)=C(\O)c2cc3ccccc3oc2=O)n1 1872757272 XZPOVWOARSYXLT-PGMHBOJBSA-N 450.903 5.837 50 10 JKGE COc1cc(/C=C(\C#N)c2nc(-c3ccc(F)cc3F)cs2)ccc1OC(=O)c1ccccc1 1872784674 UZDFVHZYCLZUEI-WOJGMQOQSA-N 474.488 6.380 50 10 JKGE CCN(Cc1ccccc1)c1ccc(/C=C(\C#N)c2nc(-c3ccc(Cl)cc3)cs2)cc1 1872789963 BEIGOOHZJORRMN-XQNSMLJCSA-N 456.014 7.554 50 10 JKGE COc1cc(C)c(-c2csc(/C(C#N)=C/c3cc(Br)ccc3F)n2)cc1C(C)C 1872793092 HXDIOUGNAOSAQI-LZYBPNLTSA-N 471.395 7.216 50 10 JKGE COc1cc(/C=C(\C#N)c2nc(-c3ccc(OC)c(OC)c3OC)cs2)cc(Cl)c1O 1872794969 GSLMCGLFIMURQA-NTUHNPAUSA-N 458.923 5.268 50 10 JKGE CCOc1cc(/C=N/NC(=O)[C@@H](NC(=O)OC(C)(C)C)[C@@H](C)CC)ccc1OCc1ccccc1C 1873794718 WWJTVDSXTWSEMS-ZCYBCTOXSA-N 497.636 5.362 50 10 JKGE O=C(c1scc(Br)c1Br)N(CCCCl)Cc1ccccc1 1914628328 RSNISMIZGLAICW-UHFFFAOYSA-N 451.611 5.544 50 10 JKGE CC(C)[C@H](CBr)N(CCOc1cccc(Br)c1)Cc1ccccc1 1915267538 DYSOCIQYURMNFB-FQEVSTJZSA-N 455.234 5.750 50 10 JKGE Brc1ccc([C@H](Br)c2sc(Br)cc2Br)o1 1922920769 KMNOLSFDNQNTSP-QMMMGPOBSA-N 479.813 6.113 50 10 JKGE COCC1([C@@H](Br)c2sc(Br)c(C)c2Br)CCCC1 1922931415 BXUICUOHMDRASL-NSHDSACASA-N 461.057 6.224 50 10 JKGE Cc1c(Br)sc([C@@H](Cl)c2cc(Cl)sc2Cl)c1Br 1922933330 VMUSOAVAOQTGCQ-ZETCQYMHSA-N 455.451 7.278 50 10 JKGE Fc1cccc([C@H](Br)c2c(Br)sc(Br)c2Cl)c1F 1923037480 DFKXNJUQLDGJEG-ZETCQYMHSA-N 481.381 6.689 50 10 JKGE CC(C)C[C@@H](C)[C@@H](Br)c1c(Br)sc(Br)c1Cl 1923063079 VZLOATQKPABELA-HTRCEHHLSA-N 453.465 7.045 50 10 JKGE Cc1ccc(F)cc1[C@@H](Cl)c1c(Br)sc(Br)c1Br 1924586219 VLXYFYJOTPXYFV-SNVBAGLBSA-N 477.418 6.811 50 10 JKGE CC[C@H](c1ccccc1)[C@H](Cl)c1c(Br)sc(Br)c1Br 1924596212 KQJJCHOZMWPYKE-SKDRFNHKSA-N 487.482 7.509 50 10 JKGE Cc1ccc(Cl)c([C@@H](Br)c2cc(Br)c(C)cc2Br)c1 1925533072 AUNDHVVKNAQRCJ-HNNXBMFYSA-N 467.426 6.966 50 10 JKGE Cl[C@H](c1c(Br)sc(Br)c1Br)[C@H]1[C@H]2C[C@@H]3[C@H]1[C@@H]3C2 2016561835 HSJFDZLTBDVFQB-PXQBIXQBSA-N 461.444 6.218 50 10 JKGE Brc1cc([C@@H](Br)c2ccc(CC3CC3)s2)sc1Br 2027410813 OCUKHXLTKUBAHF-LBPRGKRZSA-N 471.077 6.771 50 10 JKGE CC(C)c1ccccc1[C@@H](Br)c1cc(Br)sc1Br 2027519268 AYGLKARPIZGFLM-CYBMUJFWSA-N 453.037 6.881 50 10 JKGE Cc1nc([C@H](Br)[C@@H](C)c2ccncc2Br)c(Br)s1 2050331631 PHJQJNLQGHKURV-QUBYGPBYSA-N 455.013 5.611 50 10 JKGE CC(C)(C)OC(=O)NCCSSCCN[C@H]1CCCC[C@@]12CCN(C(=O)OC(C)(C)C)C2 2061261976 IBKGWKPDHITLBD-MBSDFSHPSA-N 489.748 5.052 50 10 JKGE Cc1cccc([C@H](Br)c2ccc(Br)cc2Br)c1Br 2083340573 UYNZVCKBZLOKAR-CQSZACIVSA-N 497.850 6.767 50 10 JKGE BrC[C@]1(Cc2c(Br)cccc2Br)CC12CCCCC2 2100470032 YAALUFXOJUEWJL-INIZCTEOSA-N 451.040 6.490 50 10 JKGE Cc1cc([C@H](Br)c2scc(C(F)(F)F)c2Br)c(Br)s1 2101015276 UYRPCYDBTHQORC-ZETCQYMHSA-N 499.009 7.146 50 10 JKGE Cc1cccc(OCc2cc(Cl)ccc2I)c1CBr 2104490230 HVMJFJWWTIFWPF-UHFFFAOYSA-N 451.529 5.727 50 10 JKGE CN(C[C@H](Br)C1CCCCC1)c1ncc(Br)cc1Br 2111351233 NYFJQSWYZUNENU-ZDUSSCGKSA-N 455.032 5.387 50 10 JKGE Fc1ccc([C@H](Br)c2c(Cl)cccc2Br)c(F)c1Br 2113162069 CPIAVPMRBPAPLS-NSHDSACASA-N 475.352 6.628 50 10 JKGE Cc1c(CBr)cccc1S(=O)(=O)N(CCC(F)(F)F)Cc1ccccc1 2123203196 DRWBRJTYKONBHP-UHFFFAOYSA-N 450.320 5.033 50 10 JKGE Clc1cc(Br)cnc1C[C@H](CBr)c1cccc(Br)c1 2127194699 HCCLSIXCSACMPE-SNVBAGLBSA-N 468.414 5.981 50 10 JKGE Cc1cc(C)c(C)c([C@H](Cl)c2c(Br)sc(Br)c2Br)c1 2138305476 QAGWFITUFFDUQM-LBPRGKRZSA-N 487.482 7.289 50 10 JKGE Cc1c(Br)ccc([C@H](Br)CC(C)(C)C(F)(F)F)c1Br 2138859755 CIGFXHXKZILPRV-SNVBAGLBSA-N 466.961 6.935 50 10 JKGE C[C@@H](Br)C[C@H]1CCCCCN1Cc1ccc(Br)cc1Br 2148686327 WLRXBGAJMYWMEO-IUODEOHRSA-N 468.071 6.130 50 10 JKGE Clc1sc(Br)c(Cl)c1[C@H](Br)[C@@H]1C[C@@H]2CCCCCC[C@@H]21 2166122092 GPVTVZQAZXBTNB-UXCLJVHYSA-N 461.090 7.860 50 10 JKGE COc1ccc(Br)cc1CC[C@@H](Br)c1cccc(Br)c1 2169799814 UYPDWRAQETYZDL-OAHLLOKOSA-N 463.007 6.289 50 10 JKGE Cc1cc(Br)cc(CBr)c1OCc1c(C)nn(C)c1Br 2185795668 UFWSZOZOSIJHQV-UHFFFAOYSA-N 466.999 5.036 50 10 JKGE Fc1cccnc1CCOc1c(Br)cc(CBr)cc1Br 2199299886 GCOGUQVEUQGCPS-UHFFFAOYSA-N 467.958 5.262 50 10 JKGE Cc1nn(C)c([C@@H](Br)c2c(Br)cc(F)c(Cl)c2F)c1Br 2201616252 AEBCOGGCJCTMMS-VIFPVBQESA-N 493.371 5.669 50 10 JKGE COc1cc(Br)ccc1[C@@H](Cl)c1ccc(Br)c(C)c1Br 2203685833 RPLMMQAVIRUUIZ-OAHLLOKOSA-N 483.425 6.619 50 10 JKGE COc1cc(F)c(F)cc1[C@@H](Br)c1cc(Br)ccc1Br 2204498802 VLADGZISBYAECU-AWEZNQCLSA-N 470.933 5.983 50 10 JKGE COc1c(C)cc(Br)cc1[C@@H](Br)c1ccc(Br)c(Cl)c1 2206569264 OJCCEQIVKQLKFQ-AWEZNQCLSA-N 483.425 6.666 50 10 JKGE Clc1cccc(C[C@@H](CBr)Cc2ccc(I)c(Cl)c2)c1 2208046315 VQFMCQFAEYYASB-CYBMUJFWSA-N 484.002 6.394 50 10 JKGE ClCc1nc2cc(Br)c(Br)cc2n1C[C@@H]1C[C@@H]1Br 2218665145 WWUAMYWJZKCCBJ-BQBZGAKWSA-N 457.391 5.084 50 10 JKGE C[C@H](Cl)c1nc2cc(Br)c(Br)cc2n1CCCN(C)Cc1ccccc1 2225687585 PZKPQWZIQIFPNZ-AWEZNQCLSA-N 499.678 6.383 50 10 JKGE Cc1cc([C@H](Br)c2ccc(F)c(Br)c2)cc(C)c1Br 2227419539 UUYCQVLWIDODBH-OAHLLOKOSA-N 450.971 6.452 50 10 JKGE COc1cc(Br)c([C@@H](Cl)c2cc(Br)sc2Br)cc1C 2227733175 SSPVYAXAXALCAA-GFCCVEGCSA-N 489.454 6.681 50 10 JKGE Fc1ccc([C@@H](Cl)c2c(Br)cc(Cl)c(Cl)c2Cl)cc1Br 2232509950 FPIYXXLIIRYMJX-LLVKDONJSA-N 481.801 7.639 50 10 JKGE Clc1cc(Br)c([C@H](Br)c2cc3c(s2)CCC3)c(Cl)c1Cl 2232511746 LMQLVIWGAVSYJM-GFCCVEGCSA-N 475.460 7.444 50 10 JKGE Cc1cc(Br)c([C@@H](Br)[C@H]2CC23CC(F)(F)C3)c(C)c1Br 2235608907 MDZNCWZJEHNKNW-RNCFNFMXSA-N 472.993 6.700 50 10 JKGE Clc1ccc(Br)c([C@H](Br)c2ccc3c(c2Br)CCO3)c1 2238082879 SMVWVRZQTBCZJO-OAHLLOKOSA-N 481.409 6.284 50 10 JKGE BrC[C@]12CCCC[C@@H]1CN(Cc1cccc(Br)c1Br)C2 2239174500 LUJUPYAXWDNSCT-CJNGLKHVSA-N 466.055 5.599 50 10 JKGE Fc1cc(Br)c(F)c(Br)c1[C@H](Br)[C@@H]1C[C@@H]1C(F)F 2260065187 HIRSTVNMQSVQCP-PDJPSNROSA-N 454.881 5.827 50 10 JKGE CCCC1CC([C@@H](Br)c2c(F)cc(Br)c(F)c2Br)C1 2272722095 POHCHLBCVDYDSL-WZQIAMPNSA-N 460.982 6.752 50 10 JKGE Cc1cc(Br)c(C)c([C@H](Br)[C@]23CCC[C@H]2CC3)c1Br 2273372224 VXRZFAHKGPYQLR-UVBJJODRSA-N 451.040 6.845 50 10 JKGE Cc1cc(Cl)c(Cl)cc1[C@H](Br)c1cc(Cl)c(C)c(Br)c1 2279060579 VZMCVYVTUODOSB-OAHLLOKOSA-N 457.420 7.510 50 10 JKGE Cc1ccc([C@@H](Br)c2c(Br)cc(C)c(F)c2C)cc1Br 2279160684 YEZDWEOJJJOWMU-OAHLLOKOSA-N 464.998 6.760 50 10 JKGE Fc1cc(Br)c(F)c(Br)c1[C@H](Br)[C@@H]1OC[C@H]2CCC[C@@H]21 2288489721 XKPFNYBGAVSFRL-HOSYDTLASA-N 474.965 5.741 50 10 JKGE COC[C@]1([C@@H](Br)c2c(F)cc(Br)c(F)c2Br)CCCO1 2288498608 IRAQYUGWAJPFFW-STQMWFEESA-N 478.953 5.121 50 10 JKGE CCOC(=O)C(C#N)=Cc1cc(Cl)c(OCCOc2ccc(C3CCCCC3)cc2)c(OC)c1 2293456960 QBGGLEXGTUEPOO-UHFFFAOYSA-N 483.992 6.324 50 10 JKGE COc1cc(OC)c([C@@H](Br)c2cc(C)sc2Br)cc1Br 2295422405 YILAQQQLBHPCDM-CYBMUJFWSA-N 485.035 6.083 50 10 JKGE COc1cccc(C[C@H]2SC(=C(C#N)C(=O)Nc3ccc(C)cc3)N(c3ccc(C)cc3)C2=O)c1 2296507194 XYHFKKGQIDSLSC-RUZDIDTESA-N 483.593 5.377 50 10 JKGE CCOC(=O)c1ccc(NC=C(C#N)c2nc(-c3cc4c(ccc5ccccc54)oc3=O)cs2)cc1 2296798373 KZEDHIQZKPYEMU-UHFFFAOYSA-N 493.544 6.223 50 10 JKGE CSc1ccc(C=C2CN(C(C)C)CC3=C2OC(N)=C(C#N)[C@H]3c2ccc(SC)cc2)cc1 2297504932 ZGKQIICFGDVMQM-RUZDIDTESA-N 475.683 6.000 50 10 JKGE Brc1ccc(OCc2ccccc2)c([C@H](Br)[C@@H]2C[C@@H]3CC[C@H]2C3)c1 2299493961 MMSHVMHCUOSROK-VWFIUDSGSA-N 450.214 6.900 50 10 JKGE Brc1ccc(OCc2ccccc2)c([C@H](Br)[C@@H]2CCC3(CC3)C2)c1 2299529357 AXNGKVXMVVXKGA-OXQOHEQNSA-N 450.214 7.044 50 10 JKGE Clc1cc(I)c([C@H](Cl)c2c(Cl)cccc2Br)s1 2300996147 YDPAQIVMXHUWGN-SNVBAGLBSA-N 482.395 6.750 50 10 JKGE COc1cc(C=C(C#N)C(=O)Nc2ccc(Cl)cc2)ccc1OCc1ccc(Br)cc1 2313630665 DJWAQBQAVQFTMH-UHFFFAOYSA-N 497.776 6.236 50 10 JKGE N#CC(=Cc1ccccc1OCc1cccc(F)c1)C(=O)Nc1sc2c(c1C#N)CCCC2 2313630827 VQDRJZLJGKWPOD-UHFFFAOYSA-N 457.530 5.762 50 10 JKGE CCOc1ccc(N2C(=O)[C@H](Cc3cccc(C)c3)SC2=C(C#N)C(=O)Nc2cccc(C)c2)cc1 2314592153 MPXMISDJQAJFNW-SANMLTNESA-N 497.620 5.767 50 10 JKGE CC1=C(C#N)C(=O)N([C@@H](C)c2ccccc2)C(=O)C1=Cc1ccc(-c2ccc(Cl)c(Cl)c2)o1 2314618315 LGEGJSGWVHFNPO-INIZCTEOSA-N 477.347 6.607 50 10 JKGE CC1=C(C#N)C(=O)N([C@@H](C)c2ccccc2)C(=O)C1=Cc1ccc(-c2cccc([N+](=O)[O-])c2)o1 2314618618 QLKPJJPFUXBAIS-KRWDZBQOSA-N 453.454 5.208 50 10 JKGE Fc1c(Br)cc(Cl)c([C@H](Br)[C@H]2C[C@H]2C(F)F)c1Br 2315450605 FWXJDJZDMRTVMO-JJXKXHSHSA-N 471.336 6.341 50 10 JKGE Cc1sc([C@H](Br)c2c(Br)nc(C)n2C)c(C)c1Br 2315597591 HGTHYZXWHWOUNL-SECBINFHSA-N 457.029 5.416 50 10 JKGE C[C@]12C[C@H](C1)[C@@H]([C@@H](Br)c1ccc(OCc3ccccc3)cc1Br)CO2 2315933963 SJMDQUXIWXKVHJ-CEDBRAGKSA-N 466.213 6.279 50 10 JKGE CC(C)(C)OC(=O)N1CC[C@H](C2CCC3(CCC[C@@H](CI)O3)CC2)C1 2327994469 YCMGNLUXCMQWSK-ASPXRTSYSA-N 463.400 5.177 50 10 JKGE N#CC(=C(O)C=Cc1ccc([N+](=O)[O-])cc1)c1nc(-c2ccc(-c3ccccc3)cc2)cs1 2331231980 FLWDSLAFEZTWEF-UHFFFAOYSA-N 451.507 6.891 50 10 JKGE CCCCOc1ccc(C(O)=C(C#N)c2nc(-c3ccc(Cl)cc3Cl)cs2)cc1OCC 2331254659 LQDWODFXFDYJBM-UHFFFAOYSA-N 489.424 7.644 50 10 JKGE COc1ccc(OC)c(-c2csc(C(C#N)=C(O)c3cccc(Oc4ccccc4)c3)n2)c1 2331326008 ONLNIPDRYGHTOF-UHFFFAOYSA-N 456.523 6.569 50 10 JKGE COc1cc(Cl)c(C)cc1-c1csc(C(C#N)=C(O)CNC(=O)c2ccc(Cl)cc2)n1 2331390572 OVHMVMDLHVTTDH-UHFFFAOYSA-N 474.369 5.657 50 10 JKGE CCc1cccc(C)c1N1C[C@@H](C(O)=C(C#N)c2nc(-c3cc(C)c(OC)cc3C)cs2)CC1=O 2331402778 PQVFHKGBRLMFEE-FQEVSTJZSA-N 487.625 6.152 50 10 JKGE COc1cc(C=C(C#N)c2nc(-c3ccccc3)cs2)ccc1OCc1ccc(Cl)cc1Cl 2331440353 ITTOBTBUUAURJX-UHFFFAOYSA-N 493.415 7.769 50 10 JKGE FC1(F)C[C@@H]([C@H](Br)c2ccc(OCc3ccccc3)cc2Br)C12CCC2 2336045720 YPOMJNZSDMNWAA-PKOBYXMFSA-N 486.194 7.290 50 10 JKGE FC(F)(C1CCCCC1)[C@@H](Br)c1ccc(OCc2ccccc2)cc1Br 2336077307 GYVTZFKYNDSXHO-FQEVSTJZSA-N 488.210 7.680 50 10 JKGE C[C@@H]1C[C@H]([C@@H](Br)c2c(Cl)cc(Br)c(F)c2Br)[C@@H](C)O1 2337083311 XUSFTFZHNCTSEB-FHZUQPTBSA-N 479.409 6.254 50 10 JKGE Cc1cc(Br)c([C@H](Br)c2c(Br)ncn2C)c(C)c1Cl 2337273627 CDYDOANVEANCKM-JTQLQIEISA-N 471.418 5.700 50 10 JKGE COc1c(Br)cc(C)c([C@@H](Br)[C@H]2CCCOC2)c1Br 2339639016 HUEFMXYDMBAISS-CABZTGNLSA-N 457.000 5.391 50 10 JKGE CCCCCC[C@H](Br)c1c(C)cc(Br)c(OC)c1Br 2339639335 LDOHFNIZVKETIG-NSHDSACASA-N 457.044 6.935 50 10 JKGE COC[C@]1(C)C[C@H]1[C@H](Br)c1c(C)cc(Br)c(F)c1Br 2339689308 NOJRGWUYVJQGJZ-PSEJXSGSSA-N 458.991 5.768 50 10 JKGE Clc1ccc(CN2CC[C@]3(CCC[C@H]3Br)C2)c(I)c1 2341033718 ZTAKMMFEWMUBRM-HUUCEWRRSA-N 454.577 5.084 50 10 JKGE Brc1cc(CN2CC[C@H]3CC[C@H](Br)[C@H]2C3)ccc1I 2349833156 WFPGNMUGAYWAQF-IFUGULHKSA-N 499.028 5.192 50 10 JKGE Fc1cc(Cl)c(Br)c(Cl)c1[C@H](Br)[C@H]1CCC[C@H]1C(F)F 2360436748 PMWIRWSSFQMVHI-BAJZRUMYSA-N 454.939 7.012 50 10 JKGE CC1([C@@H](Br)c2c(Cl)cc(Br)c(F)c2Br)CCCCCC1 2362227877 KJPIFAJEPQAXDP-AWEZNQCLSA-N 491.464 7.801 50 10 JKGE FC(F)(F)[C@]12C[C@]([C@@H](Cl)c3cc(Br)ccc3OCc3ccccc3)(CO1)C2 2363844967 WPLNJEXGNCMNDQ-FHWLQOOXSA-N 461.705 6.420 50 10 JKGE Cn1nc(Br)c(Br)c1[C@H](Cl)c1c(Br)cc(F)c(F)c1F 2364063115 GJMJKRKCPPWCSB-SSDOTTSWSA-N 497.334 5.453 50 10 JKGE Cc1cc(Br)c(F)c(Br)c1[C@@H](Br)C(C)(C)CC(F)(F)F 2365188504 MAFFKUUYRXJUIT-LLVKDONJSA-N 484.951 7.074 50 10 JKGE COc1c(Br)cc(C)c([C@@H](Br)C[C@H]2C[C@@H](OC)C2)c1Br 2365194817 VNQZKOBGTNKQBA-AXFHLTTASA-N 471.027 5.780 50 10 JKGE COc1c(Br)cc(C)c([C@H](Br)C[C@H]2C[C@H]3C[C@H]3C2)c1Br 2365216170 RJUUAHAJXXRBFV-WISYIIOYSA-N 467.039 6.401 50 10 JKGE Cc1cc(Br)c(F)c(Br)c1[C@@H](Br)[C@@H]1CC12CCOCC2 2365218545 LVNFJYUFJCBSOL-CABZTGNLSA-N 471.002 5.912 50 10 JKGE Clc1ccc([C@@H](Cl)c2cc3c(cc2Br)OCC3)c(I)c1 2365598191 OPQCENYNOUIROQ-OAHLLOKOSA-N 483.958 5.970 50 10 JKGE Clc1ccc(C[C@H]2CCc3ccccc3[C@H]2Br)c(I)c1 2366715245 PDBOBRPXNDHVQB-DYVFJYSZSA-N 461.568 6.186 50 10 JKGE Clc1ccc(I)cc1C[C@@H]1CCCCCCCC[C@@H]1Br 2380522859 POOMTLGSQWHQCL-BBRMVZONSA-N 469.632 7.001 50 10 JKGE CCn1ncc(Br)c1COc1c(CBr)ccc(C)c1Br 2380669301 DAVYLEHKLCPHBB-UHFFFAOYSA-N 466.999 5.210 50 10 JKGE Cc1cc(Br)c(C(C)C)cc1[C@H](Br)c1ccc(Br)cc1 2380942650 SFPQMKMMIABQRK-QGZVFWFLSA-N 461.035 7.128 50 10 JKGE CCCCCCCCNC(=O)/C(C#N)=C/c1cc(Br)c(O)c(Br)c1 3267292 BQFIZSDSBCVMBI-NTEUORMPSA-N 458.194 5.301 50 10 JKGE CCOC(=O)c1c(NC(=O)/C(C#N)=C/c2ccc(-c3ccc(Cl)cc3)o2)sc(C)c1C 14151237 QKUACJCAOITIJD-LFIBNONCSA-N 454.935 6.001 50 10 JKGE Cc1ccc(CS/C(Nc2c(C)cccc2C)=C(\C#N)S(=O)(=O)c2ccccc2)c(C)c1 20325007 BTELHFONBREJDU-SHHOIMCASA-N 462.640 6.432 50 10 JKGE C/C(CCc1ccccc1)=N\NC(=O)CNc1c(Br)cc(C)cc1Br 27497778 VDLRPHWBSHYJGY-OEAKJJBVSA-N 467.205 5.057 50 10 JKGE COc1cc(OC)c(/C=N/NC(=O)c2cc(-c3ccccc3)nc3ccccc23)cc1Br 27520081 OFINWMFJFIPQFO-JFLMPSFJSA-N 490.357 5.445 50 10 JKGE CCCCCOc1ccc(C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@@H]3c2ccc(C)cc2)cc1 38649226 POVZWXVFJMLOGC-HHHXNRCGSA-N 468.553 6.001 50 10 JKGE CC(C)c1ccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)Cc4ccc(Cl)cc4)ccc32)cc1 38649670 HIILTIIVGYWOKW-SANMLTNESA-N 458.945 5.830 50 10 JKGE N#CC1=C(N)Oc2cc(OC(=O)c3cccc4ccccc34)ccc2[C@@H]1c1ccc([N+](=O)[O-])cc1 38654841 NKGVVULBLBTGEQ-VWLOTQADSA-N 463.449 5.185 50 10 JKGE CCCOc1cccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)COc4ccc(Cl)cc4)ccc32)c1 38684380 AWSJVKBGSIAYSV-AREMUKBSSA-N 490.943 5.331 50 10 JKGE CCCCCCOc1ccc(/C=C2/C(=O)N(Cc3ccc(OC)cc3)C(=O)C(C#N)=C2C)cc1OC 40514691 YIIAMNXMAXBVMA-LFVJCYFKSA-N 488.584 5.455 50 10 JKGE Cc1c(C(=O)Nc2ccc(Cl)cc2Cl)oc2c1/C(=N/NC(=O)c1ccccc1)CCC2 40803976 WVYSDOCGTLIXPY-OVVQPSECSA-N 456.329 5.618 50 10 JKGE CCOc1ccc([C@H](O)CCC(=O)N/N=C\c2c(C)n(Cc3ccccc3C#N)c3ccccc23)cc1 58894729 YOAXTPDBCSCONB-LIWTUZSWSA-N 494.595 5.232 50 10 JKGE N#CC1=C(N)OC2=C(C(=O)C[C@@H](c3ccc(Cl)cc3)C2)[C@H]1c1cccc(Br)c1 58929652 PXQIMCPSIATVKY-VLIAUNLRSA-N 455.739 5.311 50 10 JKGE N#C/C(=C\c1cccc(OCc2ccc(Cl)cc2Cl)c1)C(=O)Nc1ccc(Cl)c(Cl)c1 59117591 IBZKIEXNXCQLAQ-LZYBPNLTSA-N 492.189 7.425 50 10 JKGE Cc1cccc(NCCCC(=O)N/N=C/c2ccccc2OCc2cccc(Br)c2)c1 59507994 LEZLVROYKHDLQA-OGLMXYFKSA-N 480.406 5.679 50 10 JKGE N#CC1=C(N)OC2=C(CCC/C2=C/c2ccccc2Br)[C@@H]1c1ccccc1Br 98064669 SYQZYJOPPGHJHC-MQGIHEMASA-N 498.218 6.541 50 10 JKGE CCCCCCCOc1ccc(/C=C2/C(=O)N(CCCCC)C(=O)C(C#N)=C2C)cc1OCC 101333424 UIDLMXLYBDLNCL-PTGBLXJZSA-N 466.622 6.217 50 10 JKGE CC1=C(C#N)C(=O)N(Cc2ccc(F)cc2)C(=O)/C1=C/c1ccc(OCc2ccc(Cl)cc2)cc1 101340640 NHOKTCHXLYUAQY-AFUMVMLFSA-N 486.930 5.851 50 10 JKGE CCOc1ccc(Br)cc1[C@H](Br)c1cc(Br)ccc1F 109871929 ZHGYPTOFGAVUIT-OAHLLOKOSA-N 466.970 6.234 50 10 JKGE Clc1cccc(C(CBr)(CBr)Cc2cc(Br)cs2)c1 118671556 PDSWTFWHHHVRKQ-UHFFFAOYSA-N 487.482 6.434 50 10 JKGE CCC1(CC)[C@@H](Oc2cc(Br)c(OC)cc2Br)C[C@H]1Br 118819516 QDJZMPPEPOKNTD-KGLIPLIRSA-N 471.027 5.941 50 10 JKGE Cc1cc(C)c([C@@H](Br)c2cc(Br)c(Br)s2)c(C)c1 128233351 GFBWTTROHOKOHE-ZDUSSCGKSA-N 453.037 6.683 50 10 JKGE CCOc1ccccc1[C@@H](Br)c1cc(Br)c(Br)s1 128257589 PALIRANORIFMCU-GFCCVEGCSA-N 455.009 6.156 50 10 JKGE Cc1cc(Br)c([C@@H](Br)c2ccc(Cl)cc2F)cc1Br 128840719 LJLLEIMWYRWDIY-AWEZNQCLSA-N 471.389 6.797 50 10 JKGE Cc1cc(Br)c([C@@H](Br)c2cc(C(F)(F)F)ccc2Br)s1 159843580 KSRUBKNMXOWLTR-NSHDSACASA-N 492.980 7.085 50 10 JKGE Fc1ccc([C@@H](Cl)c2cc(Br)ccc2Br)cc1Br 161112903 DQUDXFIOWNSJBK-CYBMUJFWSA-N 457.362 6.441 50 10 JKGE Clc1cc([C@@H](Cl)Cc2ccc(Br)cc2)ccc1I 232386241 QPEILKBZVQWCAT-LBPRGKRZSA-N 455.948 6.230 50 10 JKGE CC(C)c1cc(Br)ccc1Oc1ccc(Br)cc1CBr 232774944 VXKUEXCSZANZHM-UHFFFAOYSA-N 463.007 7.022 50 10 JKGE Cc1cccc([C@@H](Br)c2ccc(Cl)cc2Cl)c1I 235928458 NRGWFGPULPXOLU-ZDUSSCGKSA-N 455.948 6.391 50 10 JKGE O=C(CCC(=O)Nc1cccc(Br)c1)NN=Cc1cccc(Oc2ccccc2)c1 252638225 YAJVYADFLLJTPU-UHFFFAOYSA-N 466.335 5.110 50 10 JKGE CCn1c(SCC(=O)NN=C(C)c2ccc3ccccc3c2)nnc1-c1ccc(C(C)(C)C)cc1 254346786 QWTDEHZDTTVCTK-UHFFFAOYSA-N 485.657 6.048 50 10 JKGE COc1ccc(C=NNC(=O)CCn2c(-c3ccccc3)c(-c3ccccc3)c3ccccc32)cc1 254819726 PEICXAUJIIOOOL-UHFFFAOYSA-N 473.576 6.524 50 10 JKGE BrCC(CBr)(CCC1CCOCC1)c1cccc(Br)c1 381124190 GUKCHYSXDLENNA-UHFFFAOYSA-N 469.055 5.684 50 10 JKGE Cc1cc(Br)c([C@H](Br)c2sccc2Br)cc1Cl 383538047 SSZVDBGDFKSHBM-NSHDSACASA-N 459.428 6.719 50 10 JKGE N#CSc1ccc(NC(=O)c2ccc(NC(=O)N3CCN(c4ccc(F)cc4)CC3)cc2)cc1 586659333 NQPWRNXSQAVKFX-UHFFFAOYSA-N 475.549 5.005 50 10 JKGE CN(C(=O)OC(C)(C)C)c1ccccc1[C@H]1CNc2ccccc2N1CCO[Si](C)(C)C(C)(C)C 616584138 IWFSFWTXTOCNDA-RUZDIDTESA-N 497.756 7.053 50 10 JKGE COC1CCC(O[C@](C)(CI)c2ccccc2Br)CC1 686228751 GWJUBQGRNZASBB-SEEARECTSA-N 453.158 5.074 50 10 JKGE Cc1ccc(C[C@@H](Br)c2ccc(I)c(Br)c2)cc1C 721574452 XVCUOBWSYLKUPE-CQSZACIVSA-N 494.008 6.349 50 10 JKGE O=C(NN=C1C(=O)N(C(c2ccccc2)c2ccccc2)c2ccccc21)c1ccccc1Cl 1084631617 LLSLSGSMZFAMND-UHFFFAOYSA-N 465.940 5.610 50 10 JKGE COc1cccc(C(=O)NN(C(=O)c2cc(Cl)cc(Cl)c2)C(C)(C)C)c1Br 1615949753 HPNDRKOLRNWRQC-UHFFFAOYSA-N 474.182 5.350 50 10 JKGE Cc1cc(Cl)ccc1NC(=O)c1oc2c(c1C)C(=NNC(=O)c1ccccc1Cl)CCC2 1772743681 GCXDPTFHUANSRU-UHFFFAOYSA-N 470.356 5.926 50 10 JKGE Cc1cccc(NC(=O)c2oc3c(c2C)C(=NNC(=O)c2ccc(-c4ccccc4)cc2)CCC3)c1C 1772746541 FYCBPDUTHAKVFQ-UHFFFAOYSA-N 491.591 6.595 50 10 JKGE CCCCOc1ccc(NC(=O)c2oc3c(c2C)C(=NNC(=O)Cc2ccccc2)CCC3)cc1 1772747307 AJWBUAMXBIAXNH-UHFFFAOYSA-N 473.573 5.419 50 10 JKGE Cc1cc(C)c2c(CC(=O)NN=C3CCCc4oc(C(=O)Nc5ccc(F)cc5)c(C)c43)coc2c1 1772751951 NYNFARYFQXWYQZ-UHFFFAOYSA-N 487.531 5.742 50 10 JKGE COc1cc(C=NNC(=O)[C@H](C)Oc2ccc(-c3ccccc3)cc2)ccc1OCc1ccc(C)cc1 1772755704 POPGJXCSVNVBRU-QHCPKHFHSA-N 494.591 6.167 50 10 JKGE CCCn1nc(C(F)(F)F)c2c1OC(N)=C(C#N)[C@H]2c1ccc(OCCc2ccccc2)c(OC)c1 1865688025 GSPMDYVMLBTQJX-OAQYLSRUSA-N 498.505 5.160 50 10 JKGE CCCCCOc1ccc([C@@H]2C(C#N)=C(N)Oc3c2c(CC)nn3-c2ccccc2Cl)cc1 1865692964 KIFQHXYQDWOVEA-HSZRJFAPSA-N 462.981 5.875 50 10 JKGE CCCOc1cccc([C@H]2C(C#N)=C(N)Oc3c2c(C(F)(F)F)nn3Cc2cc(C)ccc2C)c1 1865694248 RRCZXRVCDSOXMG-NRFANRHFSA-N 482.506 5.574 50 10 JKGE CCCCCOc1ccc([C@H]2C(C#N)=C(N)Oc3c2c(C)nn3Cc2ccccc2F)cc1OC 1865694741 ALDFOSQTNNLCGD-VWLOTQADSA-N 476.552 5.175 50 10 JKGE CCCc1nn(Cc2ccc(Cl)c(Cl)c2)c2c1[C@@H](c1ccccc1OC)C(C#N)=C(N)O2 1865709564 CUISQEULYIDNQC-NRFANRHFSA-N 469.372 5.417 50 10 JKGE COc1ccc(-c2nn(-c3ccccc3)c3c2[C@@H](c2ccc(C(F)(F)F)cc2)C(C#N)=C(N)O3)cc1 1865710925 LUXHFLLPAVIHGG-QFIPXVFZSA-N 488.469 5.785 50 10 JKGE Cc1ccc([C@@H](CC(=O)N[C@@H](C(=O)Nc2ccc(SC#N)cc2)c2ccccc2)C2CC2)cc1C 1866722966 AXWGZNTYRSBCCE-XTEPFMGCSA-N 483.637 6.257 50 10 JKGE CCCC[C@@H](NC(=O)C[C@H](c1ccc(OC)c(C)c1)C(C)C)C(=O)Nc1ccc(SC#N)cc1 1866774944 JTRUAPFNTFZQLP-BJKOFHAPSA-N 481.662 6.020 50 10 JKGE CCC[C@H](NC(=O)C[C@@H](CC(C)C)c1ccc(F)cc1)C(=O)Nc1ccc(SC#N)cc1 1867097766 DZKDLZIHPRAKEO-XXBNENTESA-N 455.599 5.842 50 10 JKGE CC(C)(C)c1nc(Nc2ccc(SC#N)cc2)cc(N2CCO[C@H](c3cccc(Cl)c3)C2)n1 1868342028 IERBWTVTUXADJD-NRFANRHFSA-N 480.037 6.322 50 10 JKGE CC(C)[C@@H]1c2[nH]cnc2CCN1c1cc(Nc2ccc(SC#N)cc2)nc(-c2ccccc2)n1 1868365083 KFFDLIRPSYFIRU-RUZDIDTESA-N 467.602 5.943 50 10 JKGE CCCc1nc(Nc2ccc(SC#N)cc2)cc(N2CCC[C@@H]2c2ccc(C(C)(C)C)cc2)n1 1868388339 IUPXLWNQMALVSN-XMMPIXPASA-N 471.674 7.385 50 10 JKGE COc1cc(OC)c(-c2csc(/C(C#N)=C(\O)COc3cc(Cl)ccc3Cl)n2)cc1Cl 1872756229 FXEIZUNYNRQTKT-LGMDPLHJSA-N 497.787 6.659 50 10 JKGE COc1cc(/C=C(\C#N)c2nc(-c3ccc(Oc4ccccc4)cc3)cs2)cc(Cl)c1O 1872793033 DURGVIWFLMKNIS-WOJGMQOQSA-N 460.942 7.034 50 10 JKGE CC(C)[C@H](CBr)N(Cc1ccccc1)Cc1sccc1I 1888202985 FQFYRSZBBAUKJA-INIZCTEOSA-N 478.237 5.774 50 10 JKGE O=C(Cc1cccc(Br)c1)N(Cc1ccccc1)[C@H](CBr)C1CC1 1915276839 VCUHLASGFCTNCT-LJQANCHMSA-N 451.202 5.194 50 10 JKGE C[C@H]1CN(Cc2ccccc2)C[C@@H](C)N(c2cccc(Br)c2CBr)C1 1921467527 AYSRTNVBVBVXSF-DLBZAZTESA-N 466.261 5.691 50 10 JKGE Cc1c(Br)sc([C@@H](Br)COCC(F)(F)F)c1Br 1922939257 HIAWVMNCCCFKIM-YFKPBYRVSA-N 460.935 5.596 50 10 JKGE Fc1ccc(Br)c([C@H](Cl)c2sc(Br)cc2Br)c1 1922940894 MLFVEDIZDHCOSS-JTQLQIEISA-N 463.391 6.503 50 10 JKGE CC[C@@]1([C@H](Cl)c2c(Br)sc(Br)c2Br)CC1(F)F 1924568174 CJRJHHTUGMTTTH-MUWHJKNJSA-N 473.402 6.751 50 10 JKGE CCOc1ccccc1[C@H](Cl)c1c(Br)sc(Br)c1Br 1924596689 RUFNEGBNEVFCQA-NSHDSACASA-N 489.454 6.763 50 10 JKGE Cl[C@@H](c1cc(Br)c(Br)s1)c1sncc1Br 1928068373 KLLKRIMRKMYRFU-LURJTMIESA-N 452.418 5.820 50 10 JKGE Cc1sc(Br)c([C@H](Br)Cc2cccc(Br)c2)c1C 2039498234 IDCUNTVCDLNGSE-GFCCVEGCSA-N 453.037 6.569 50 10 JKGE N#CC(=Cc1cc([N+](=O)[O-])ccc1N1CCCCC1)c1nc(-c2ccc(Cl)cc2Cl)cs1 2053514896 ZCXCWFKUFDUILD-UHFFFAOYSA-N 485.396 7.080 50 10 JKGE CCc1sc(Br)cc1[C@H](Br)c1nn(CC)cc1Br 2060855889 LSBUHEBMWPPKPY-NSHDSACASA-N 457.029 5.536 50 10 JKGE Cc1nn(C)c([C@@H](Br)c2sc(C)c(Br)c2C)c1Br 2072299676 ANEBOOHPAMVYKD-SNVBAGLBSA-N 457.029 5.416 50 10 JKGE CCCC(CBr)(CCC)Cn1c(CC)nc(Br)c1Br 2087648634 DXMHPGKZHMSJCM-UHFFFAOYSA-N 459.064 5.952 50 10 JKGE O=C(N[C@@H]1CCCC[C@H]1CCBr)c1scc(Br)c1Br 2090573377 SRRGDEQUJIWLAP-WCBMZHEXSA-N 474.056 5.347 50 10 JKGE COc1ccc([C@@H](Cl)c2cccc(Br)c2Br)cc1Br 2092328201 JGPXFERHSWYSDS-CQSZACIVSA-N 469.398 6.311 50 10 JKGE Clc1cccc(Cl)c1C[C@@H](Br)c1cc(Br)cc(Br)c1 2104780506 FNZGHPQLZNHFPB-GFCCVEGCSA-N 487.844 7.197 50 10 JKGE Cc1ccc(C[C@H](Br)c2ccc(Br)cc2I)cc1C 2142278508 DMXSSJGDZVUEJE-HNNXBMFYSA-N 494.008 6.349 50 10 JKGE COc1cc(Br)c(C)cc1[C@@H](Br)c1c(F)cccc1Br 2145964864 UJNDMEZXXGPXFO-OAHLLOKOSA-N 466.970 6.152 50 10 JKGE CCCCCC1CCC([C@H](Br)c2cc(Br)sc2Br)CC1 2168768864 DHFATGMDWGOKPD-QOZQQMKHSA-N 487.139 8.096 50 10 JKGE C[C@@H]1CCN(Cc2ccccc2)C[C@@H]1n1c(CCl)nc2cc(Cl)c(Br)cc21 2169014825 CZWWRURIAKBEJG-VLIAUNLRSA-N 467.238 6.274 50 10 JKGE Fc1ccc(I)cc1[C@H](Cl)c1cc(Br)cc2c1OCC2 2169667698 IICZUFHGGBODOT-AWEZNQCLSA-N 467.503 5.456 50 10 JKGE FC(F)(F)c1ccc(Br)c(-n2c(Cl)nc(Cl)c2CBr)c1 2175470350 NAUYLLWHLNKBRG-UHFFFAOYSA-N 452.883 5.855 50 10 JKGE COc1c(Cl)cc(Br)cc1[C@@H](Br)c1cc2sccc2s1 2203000023 CQUVIKAKAXSGCU-CYBMUJFWSA-N 452.620 6.872 50 10 JKGE Cc1c(Br)ccc([C@H](Br)c2ccc3sccc3c2)c1Br 2203689951 YZVSLGPOPFCCCC-MRXNPFEDSA-N 475.043 7.219 50 10 JKGE FC1(F)C[C@]12CCC[C@H]([C@H](Br)c1ccc(Br)cc1Br)C2 2203690697 FGPTXLSIESOQQA-QCZZGDTMSA-N 472.993 6.863 50 10 JKGE Fc1ccc(CBr)c(OCc2ccc(I)c(Cl)c2)c1F 2208036372 MWXXTFBRRRRXCE-UHFFFAOYSA-N 473.482 5.697 50 10 JKGE CC1(C)C[C@@]1(Cl)[C@H](Br)c1c(Br)sc(Br)c1Cl 2211989016 BPILVFNUXUODJC-LHLIQPBNSA-N 471.867 6.770 50 10 JKGE O=[N+]([O-])c1ccc([C@H](Br)c2cc(Br)c(Br)cc2F)o1 2225618400 WYMSIINSFBZFEB-LLVKDONJSA-N 457.875 5.336 50 10 JKGE C[C@@H]1O[C@@]2([C@H](Br)c3cc(Br)c(Br)cc3F)CC[C@H]1C2 2225619578 KOPAMFAUXHQHJU-ZLWXWRSGSA-N 456.975 5.744 50 10 JKGE Cc1cc(Br)c([C@H](Br)C[C@@H]2CC[C@@H](C)O2)c(C)c1Br 2227352806 QXQHTKFSJNKNHV-SUZMYJTESA-N 455.028 6.222 50 10 JKGE Cc1cc([C@@H](Cl)Cc2ccc(Br)cc2Cl)ccc1I 2229141146 QIWYGIALYDNTBE-ZDUSSCGKSA-N 469.975 6.538 50 10 JKGE Cc1cc(Br)c([C@@H](Br)C2CC(C(F)F)C2)c(C)c1Br 2232343087 DASHRZQJDPRBJI-RPTIHFLNSA-N 460.982 6.556 50 10 JKGE Clc1cc(Br)c([C@@H](Br)[C@H]2CC3CCC2CC3)c(Cl)c1Cl 2232514351 UTLUTVNAVBLWSI-NQPVGWQBSA-N 461.452 7.672 50 10 JKGE CCn1cc([C@@H](Cl)c2c(Br)cc(Cl)c(Cl)c2Cl)nc1Br 2232517104 PHTGCSQFRPYRAJ-SNVBAGLBSA-N 481.830 6.716 50 10 JKGE COc1ccc([C@@H](Br)c2cc(C)c(Br)cc2C)c(Br)c1 2240822591 JIMVOJAEKIBWLV-MRXNPFEDSA-N 463.007 6.321 50 10 JKGE C[C@H](c1cc(Br)c(Br)s1)[C@@H](CBr)NC(=O)OC(C)(C)C 2241450980 YZBYOPZYUYMUQZ-IONNQARKSA-N 492.071 5.665 50 10 JKGE Fc1cc([C@H](Br)c2c(Cl)sc(Cl)c2Cl)c(Cl)cc1Br 2267749565 NHTHMPAUHCQWHL-QMMMGPOBSA-N 487.830 7.748 50 10 JKGE C[C@@H](CC(F)(F)F)[C@H](Br)c1c(F)cc(Br)c(F)c1Br 2272855494 XEYRCRQCLJMMPA-NVNXEXLPSA-N 474.887 6.514 50 10 JKGE COc1sc([C@H](Cl)Cc2cc(Br)cc(Br)c2)cc1Br 2277890957 XCKJSYLHFCLFMZ-LLVKDONJSA-N 489.454 6.567 50 10 JKGE Cc1cc(Br)c([C@H](Br)c2cc(F)ccc2Br)c(C)c1F 2279147597 WRNIEEJGJOIGFB-CQSZACIVSA-N 468.961 6.591 50 10 JKGE COc1c([C@@H](Br)c2scc(C(F)(F)F)c2Br)csc1Cl 2284306942 YFAFCDASPIOQMH-ZCFIWIBFSA-N 470.557 6.737 50 10 JKGE C[C@H]1C[C@H]1CCCCCOc1c(Br)cc(CBr)cc1Br 2284853017 KNNKXGMRNORPLR-WCQYABFASA-N 469.055 6.702 50 10 JKGE Fc1cc(Cl)c([C@@H](Br)c2ccc(F)c(Br)c2F)cc1Br 2285985170 FCEVWDNHIUGSGA-NSHDSACASA-N 493.342 6.767 50 10 JKGE Fc1ccc(CCOc2c(Br)cc(CBr)cc2Br)cc1 2294704742 HAPPQLBUELVRMV-UHFFFAOYSA-N 466.970 5.867 50 10 JKGE Cc1ccccc1C[C@H]1SC(=C(C#N)C(=O)Nc2ccc(F)cc2)N(c2ccc(Cl)cc2)C1=O 2296633564 KDXLRSWOPLHZBC-HSZRJFAPSA-N 491.975 5.853 50 10 JKGE N#CC(=CNc1ccc(Br)cc1F)c1nc(-c2ccc3ccccc3c2)cs1 2296789907 AMIXWHOWUOJGEK-UHFFFAOYSA-N 450.336 6.841 50 10 JKGE FC(F)[C@@H]1CCC[C@H]1[C@@H](Br)c1sc(Cl)cc1I 2300955778 QFTKUGUWRMHSON-HCVRKRLWSA-N 455.533 6.124 50 10 JKGE C=CCOc1c(Br)cc(C=C(C#N)C(=O)Nc2ccc(CC)cc2)cc1Br 2313511462 YDHFCFWASKZDGW-UHFFFAOYSA-N 490.195 5.884 50 10 JKGE COc1cc(C=C(C#N)C(=O)N(C)C)c(Br)cc1OCc1cccc2ccccc12 2313567858 MLTXNBOXQUAXQK-UHFFFAOYSA-N 465.347 5.185 50 10 JKGE C=CCc1cc(C=C(C#N)C(=O)N(C)C)cc(Br)c1OCc1ccc(Cl)c(Cl)c1 2313568538 ULCJGXLTSPYLSO-UHFFFAOYSA-N 494.216 6.059 50 10 JKGE N#CC(=Cc1ccc(OCc2ccc(Cl)cc2Cl)cc1)C(=O)Nc1cccc(Cl)c1 2313631610 SLSOZLPVDGEEFZ-UHFFFAOYSA-N 457.744 6.771 50 10 JKGE Cc1c(Cl)cccc1NC(=O)C(C#N)=Cc1cc(Br)ccc1OCc1ccc(F)cc1 2313738611 JZJGRJSUSKOYML-UHFFFAOYSA-N 499.767 6.675 50 10 JKGE N#CC(=Cc1ccc(-c2ccc(Cl)cc2Cl)o1)c1nc(-c2ccc(Cl)cc2)cs1 2314571140 BRMWPMGHYMFYQI-UHFFFAOYSA-N 457.769 8.094 50 10 JKGE CC1=C(C#N)C(=O)N(Cc2ccc(C)cc2)C(=O)C1=Cc1ccc(OCc2ccc(F)cc2)cc1 2314616712 HZKXYLWNBXZREI-UHFFFAOYSA-N 466.512 5.506 50 10 JKGE COc1ccc(CCN2C(=O)C(=Cc3ccc(OCc4ccccc4)cc3)C(C)=C(C#N)C2=O)cc1 2314619544 AXHYSFCNWKHRSQ-UHFFFAOYSA-N 478.548 5.109 50 10 JKGE COc1cc(C=C2C(=O)N(Cc3ccccc3Cl)C(=O)C(C#N)=C2C)ccc1OCC(C)C 2314620578 RHUDXXPVWKSANC-UHFFFAOYSA-N 464.949 5.176 50 10 JKGE CCOc1ccccc1[C@H]1C(C#N)=C(N)Oc2cc(OC(=O)C=Cc3ccc(C(C)(C)C)cc3)ccc21 2314634091 LDXBBFJNBIBWJS-GDLZYMKVSA-N 494.591 6.220 50 10 JKGE CCOc1cc(C=C(C#N)C(=O)NCc2ccco2)ccc1OC(=O)CSc1ccc(Cl)cc1 2314770782 DRBNDFLKMFMSSP-UHFFFAOYSA-N 496.972 5.253 50 10 JKGE CCCOc1ccc(C=C(C#N)C(=O)Nc2scc(-c3ccc(C)cc3C)c2C(=O)OCC)cc1 2314792811 FVCKISZFQRHQMG-UHFFFAOYSA-N 488.609 6.543 50 10 JKGE CCC[C@H]1CC[C@H]([C@H](Br)c2sc(Cl)cc2I)CC1 2316600347 DQOUJUKQTQDTNQ-KWBADKCTSA-N 461.634 7.049 50 10 JKGE Clc1cc(I)c([C@@H](Br)c2ccc3sccc3c2)s1 2316773700 AOADIXHRTLDXLX-LBPRGKRZSA-N 469.594 6.705 50 10 JKGE CCc1cccc(C)c1N1C[C@@H](C(O)=C(C#N)c2nc(-c3ccc(C)c(C)c3)cs2)CC1=O 2331382563 GWNBKWUUVZMFAP-NRFANRHFSA-N 457.599 6.144 50 10 JKGE COc1cc(OC)c(OC)cc1C=C(C#N)c1nc(-c2ccc(Br)cc2)cs1 2331430344 HISMVTYAYBIMRG-UHFFFAOYSA-N 457.349 5.663 50 10 JKGE CCCCCOc1ccc(C=C(C#N)c2nc(-c3ccccc3Cl)cs2)cc1OCC 2331430573 LEPBRDRYDAJGQD-UHFFFAOYSA-N 453.007 7.495 50 10 JKGE CCCCOc1ccc(C=C(C#N)c2nc(-c3ccc(OC)c(C)c3C)cs2)cc1OCC 2331467318 CGAYGBDTVUJTHC-UHFFFAOYSA-N 462.615 7.077 50 10 JKGE Fc1c(Br)cc(Cl)c([C@H](Br)[C@@H]2[C@H]3CCOC[C@@H]32)c1Br 2337082323 KGCVIDJLDZZQMV-IMBOEEOKSA-N 477.393 5.723 50 10 JKGE FC1(F)CCC2(CC1)C[C@H]2[C@@H](Br)c1sc(Cl)cc1I 2338567315 YWUIEQMISPCAJF-OIBJUYFYSA-N 481.571 6.658 50 10 JKGE Cc1c(F)ccc([C@@H](Br)c2c(Br)c(Br)nn2C)c1C 2338719910 LXPXXLJSEAHNKF-SNVBAGLBSA-N 454.963 5.185 50 10 JKGE COc1c(Br)cc(C)c([C@H](Br)[C@@H](C)C2CCC2)c1Br 2339654587 TZAWPOBDJCRJJR-TVQRCGJNSA-N 455.028 6.401 50 10 JKGE Cc1cc(Br)c(F)c(Br)c1[C@H](Br)[C@@H]1C[C@@H]2CC[C@H]1C2 2339658240 GFLLXHUZQKBZNP-BSTOTGJRSA-N 455.003 6.531 50 10 JKGE Cc1cc(Br)c(F)c(Br)c1[C@H](Br)[C@H]1CCC[C@H](C)C1 2339679726 OHWRJRSLICWSEP-GMOODISLSA-N 457.019 6.921 50 10 JKGE Cc1cc(Br)c(F)c(Br)c1[C@@H](Br)[C@@]12CCOC[C@@H]1C2 2339685524 UCJQXNBYHJNJKR-MCCGJVOXSA-N 456.975 5.522 50 10 JKGE Clc1ccc(CN(CCBr)Cc2ccsc2)c(I)c1 2341048392 JRTHIBKWMIJLSZ-UHFFFAOYSA-N 470.601 5.403 50 10 JKGE C[C@@H](Cc1ccc(I)c(Br)c1)[C@@H](Br)c1ccccc1 2349777775 DOGDOARPNNOTQQ-MEDUHNTESA-N 494.008 6.369 50 10 JKGE Fc1c(Br)cc(Cl)c([C@H](Br)[C@@H]2C[C@@]23CCCOC3)c1Br 2362249334 XHSAOGQUBKOGDG-RJDJZPOESA-N 491.420 6.257 50 10 JKGE CC[C@]1([C@H](Br)c2c(C)cc(Br)c(OC)c2Br)CCCO1 2365183117 GNMGKMCUVKUCRG-HUUCEWRRSA-N 471.027 5.924 50 10 JKGE C[C@H](Br)CN(C(=O)c1ccc(Cl)cc1I)C1CCCC1 2368843375 DDODVCRPSRSADV-JTQLQIEISA-N 470.576 5.113 50 10 JKGE Fc1cccc([C@H](CBr)OCc2cc(I)ccc2Cl)c1 2380354388 YNGPTCLTDQRRPC-HNNXBMFYSA-N 469.519 5.737 50 10 JKGE Cc1ccc(CS/C(Nc2ccc(C)c(Cl)c2)=C(\C#N)S(=O)(=O)c2ccccc2)c(C)c1 20325241 VTBQNYSATKESML-OCOZRVBESA-N 483.058 6.777 50 10 JKGE CC(C)(C)c1ccc(CS/C(Nc2cccc(Cl)c2)=C(\C#N)S(=O)(=O)c2ccccc2)cc1 20325616 SOTMFBBMCWCNJG-OCOZRVBESA-N 497.085 7.149 50 10 JKGE Cc1cc(C)c2nc(Cl)c(/C=C(/C#N)c3nc(O)c4cc(Br)ccc4n3)cc2c1 34909270 BGSGUDPUVTXQRR-NVNXTCNLSA-N 465.738 5.981 50 10 JKGE Cc1ccc(-c2nc(/C(C#N)=C\C3=Cc4ccccc4O[C@H]3C)sc2NC(=O)c2ccccc2)cc1 34982833 JNBYWNXBQJBWQK-JTOYMXJDSA-N 489.600 7.142 50 10 JKGE N#C/C(=C/c1c(Oc2ccc(Br)cc2)nc2ccccn2c1=O)c1nc2ccccc2[nH]1 35549670 ADZWYAJKRUFDOF-SQFISAMPSA-N 484.313 5.190 50 10 JKGE CCCOc1ccc(C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@H]3c2ccc(C(C)C)cc2)cc1 38649510 JPQUCAOWMKKHAJ-MHZLTWQESA-N 468.553 6.036 50 10 JKGE N#CC1=C(N)Oc2cc(OC(=O)c3cccc(Cl)c3)ccc2[C@H]1c1ccc(Cl)cc1Cl 38655556 KFTMVBZYGDKOGS-OAQYLSRUSA-N 471.727 6.084 50 10 JKGE CCCOc1ccccc1[C@@H]1C(C#N)=C(N)Oc2cc(OC(=O)c3cccc(OCC)c3)ccc21 38681726 IUOBPDKIQLNACX-SANMLTNESA-N 470.525 5.311 50 10 JKGE CCCCOc1ccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4ccccc4C)ccc32)cc1OCC 38683997 UASQXQHARYOGTK-NDEPHWFRSA-N 498.579 6.010 50 10 JKGE CCCOc1cccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)COc4cccc(Cl)c4)ccc32)c1 40529748 MNMVUTHEYWDWTI-SANMLTNESA-N 490.943 5.331 50 10 JKGE Cc1c(C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@@H]3c2cccc([N+](=O)[O-])c2)oc2ccc(F)cc12 40547526 VHVIGUBCPQYNDO-HSZRJFAPSA-N 485.427 5.226 50 10 JKGE O=C(NNc1ncnc(N(Cc2ccccc2)Cc2ccccc2)c1[N+](=O)[O-])c1ccccc1Cl 40607332 RGUXVFWAAUCCBL-UHFFFAOYSA-N 488.935 5.002 50 10 JKGE COc1cccc(NC(=O)c2oc3c(c2C)/C(=N/NC(=O)c2ccc(Br)cc2)CCC3)c1 40811760 PXRXKPAIWOAHAX-ZXVVBBHZSA-N 496.361 5.082 50 10 JKGE Cc1ccccc1NC(=O)c1oc2c(c1C)/C(=N/NC(=O)c1ccc(Cl)c([N+](=O)[O-])c1)CCC2 40813465 MROOXYXYAXFDRD-OVVQPSECSA-N 480.908 5.181 50 10 JKGE CC(C)c1cccc(OCC(=O)N/N=C/c2cc(Br)ccc2OCc2ccccc2)c1 40889015 HVSSGYCXQVFTNU-JFLMPSFJSA-N 481.390 5.681 50 10 JKGE CCOc1cc(/C=N/NC(=O)c2cc3ccccc3o2)cc(Cl)c1OCc1ccccc1F 59303795 PAYKNGOEQFYXNS-CCVNUDIWSA-N 466.896 5.967 50 10 JKGE CCOc1cc(/C=C(/C#N)C(=O)Nc2ccccc2C(=O)OC)ccc1OCc1ccc(F)cc1 96401908 PBEUKCHGKDPLTC-ZHZULCJRSA-N 474.488 5.136 50 10 JKGE Cc1ccc([C@H](C(=O)NC2CCCCC2)N(CCc2ccc(Cl)cc2)C(=O)CCl)cc1 97914442 SUZDBSRCOQXAHJ-XMMPIXPASA-N 461.433 5.449 50 10 JKGE COc1ccc(CCNC(=O)/C(C#N)=C\c2cn(Cc3cccc(C)c3)c3ccccc23)cc1OC 98063445 DSQDXYUGPUDQHG-ULJHMMPZSA-N 479.580 5.281 50 10 JKGE CCOc1ccc(N/C=C(\C#N)c2nc(-c3cc4cc([N+](=O)[O-])ccc4oc3=O)cs2)cc1 100247343 YWPLNTAHTQGUQO-NTCAYCPXSA-N 460.471 5.200 50 10 JKGE N#C/C(=C/Nc1ccc(Cl)cc1)c1nc(-c2cc3cc(Br)ccc3oc2=O)cs1 100401605 BESGASZQRDHLCG-RAXLEYEMSA-N 484.762 6.309 50 10 JKGE CCCCCCCCOc1ccc(/C=C2/C(=O)N(C[C@@H]3CCCO3)C(=O)C(C#N)=C2C)cc1OC 101337306 ONCCDLLRZAWUKL-MWLMUJSGSA-N 480.605 5.206 50 10 JKGE COc1cccc(OCCOc2c(Cl)cc(Cl)cc2/C=C(/C#N)C(=O)Nc2ccccc2)c1 101374966 BUACKSKFHZOIGY-PDGQHHTCSA-N 483.351 6.005 50 10 JKGE COc1ccc(/C=C(/C#N)C(=O)Nc2ncc(Cc3cccc(Cl)c3Cl)s2)cc1OC 102958452 ZBFQPZDYMGSADC-NVNXTCNLSA-N 474.369 5.604 50 10 JKGE Fc1ccc([C@H](Br)c2ccc(Br)c(C(F)(F)F)c2)cc1Br 124622050 KEYXLJRWHMLBGK-CYBMUJFWSA-N 490.914 6.854 50 10 JKGE Cc1sc(Br)cc1[C@@H](Cl)c1cc(Br)c(Br)s1 128878294 JOYHBWHAPJPPPC-SECBINFHSA-N 465.457 6.734 50 10 JKGE Fc1cc2nc(CCCl)n(Cc3ccc(Br)s3)c2cc1Br 158639226 PZDYILFLLHUYSF-UHFFFAOYSA-N 452.574 5.592 50 10 JKGE CC(C)(C)c1ccc(/C=C\C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@H]3c2cccc([N+](=O)[O-])c2)cc1 205645618 HHTNYFSIBKRUDA-FEMMLKEQSA-N 495.535 5.729 50 10 JKGE Cc1ccc(N/C=C(/C#N)C(=O)Nc2ccc(I)cc2C)cc1Cl 217253673 JUFQIHWQMUNHBV-RAXLEYEMSA-N 451.695 5.020 50 10 JKGE Brc1cc(Br)cc([C@H](Br)Cc2nc3ccccc3o2)c1 232480230 TUBGYHYWYJYLLF-GFCCVEGCSA-N 459.963 6.032 50 10 JKGE Brc1cc(Br)cc([C@H](Br)c2cccc3ccccc23)c1 232481853 DNMJOWKUIHQLCD-KRWDZBQOSA-N 454.987 6.849 50 10 JKGE COc1cc(F)c(Br)cc1[C@@H](Cl)c1cc(Br)ccc1Br 234876107 MCEDABLLOYKSQW-AWEZNQCLSA-N 487.388 6.450 50 10 JKGE CCOc1cc(Br)c(C=NNC(=O)c2cc3c(ccc4ccccc43)o2)cc1OC 252593837 BMVVFKHDPCECJT-UHFFFAOYSA-N 467.319 5.520 50 10 JKGE CCOc1cc(C=NNC(=O)c2ccc(C)cc2OC)ccc1OC(=O)c1ccc(Cl)cc1 252612411 ISOOJPSEFTYBDG-UHFFFAOYSA-N 466.921 5.039 50 10 JKGE Cc1cc(C)c([C@@H](Br)c2cccc(I)c2)c(C)c1Br 305975961 HHSLBWFDKJNIQL-INIZCTEOSA-N 494.008 6.463 50 10 JKGE C[C@@H](Cl)c1nc2cc(I)ccc2n1Cc1ccc(Br)o1 381043648 OQGRDFWYIPDDPI-MRVPVSSYSA-N 465.516 5.345 50 10 JKGE Cc1ccc(Br)c([C@@H](Br)c2c(C)cc(C)c(Br)c2C)c1 383441412 IFMANNHKQLUNKY-QGZVFWFLSA-N 461.035 6.930 50 10 JKGE CC(C)(C)[Si](C)(C)OCCc1ccccc1[C@H]1CCN(Cc2ccccc2)c2ccccc21 616675320 PAUZQMACRLBKIF-HHHXNRCGSA-N 457.734 7.793 50 10 JKGE Fc1ccc([C@H](Cl)c2ccc(I)c(Cl)c2)c(F)c1Br 691544892 XGJRVFRQQMGYQY-GFCCVEGCSA-N 477.901 6.314 50 10 JKGE Brc1sccc1[C@@H](Br)c1ccc(Br)c2ccccc12 698574959 JBMPUXNHTBIQPG-AWEZNQCLSA-N 461.016 6.911 50 10 JKGE C[C@@H](CC(C)(C)C#N)Oc1c(Br)cc(CBr)cc1Br 710001259 NCZISYDSRQMWKC-VIFPVBQESA-N 454.000 5.814 50 10 JKGE BrCC(CBr)(Cc1ccc(Br)cc1)C1CCCCCC1 711298283 JTAPOBMPAIZQCY-UHFFFAOYSA-N 467.083 6.738 50 10 JKGE C[C@H]1Cc2cc([C@@H](Cl)c3ccc(I)c(Br)c3)ccc2O1 721613320 LAEBCIPTUSZRMX-XXFAHNHDSA-N 463.540 5.705 50 10 JKGE CCOc1cc(C=NNC(=O)c2cccc(C(F)(F)F)c2)ccc1OCc1ccccc1F 1084337939 WCPSWJILSXQMGL-UHFFFAOYSA-N 460.427 5.586 50 10 JKGE Cc1ccc(-c2nn(-c3ccccc3)cc2C=NNC(=O)[C@H](C)Oc2cccc(Cl)c2)cc1 1084351665 GAVMLXNNUOESGG-IBGZPJMESA-N 458.949 5.419 50 10 JKGE COc1cc(OC)cc(C(=O)NN=Cc2ccc(OCc3ccc(Cl)cc3Cl)cc2)c1 1084525094 NXRGELWMNHOURO-UHFFFAOYSA-N 459.329 5.354 50 10 JKGE Cc1ccc(NC(=O)/C(C#N)=C\c2cc(Br)ccc2OCc2ccccc2F)c(C)c1 1084639715 DIDPFPKZFWTESW-NDENLUEZSA-N 479.349 6.330 50 10 JKGE CC(C)(C)OC(=O)N1C[C@H](CI)[C@H](c2ccc(OC(C)(C)C)cc2)C1 1614621517 GSXRGCCLWIKONL-RDJZCZTQSA-N 459.368 5.249 50 10 JKGE Fc1ccc([C@H]2CN(Cc3ccccc3)C[C@@H]2CI)cc1C(F)(F)F 1614627309 UWBHYAIXOISUOB-JKSUJKDBSA-N 463.256 5.495 50 10 JKGE Cc1c(C(=O)Nc2ccccn2)oc2c1C(=NNC(=O)c1ccc(-c3ccccc3)cc1)CCC2 1772747773 QVBNZLLSCUKRDA-UHFFFAOYSA-N 464.525 5.373 50 10 JKGE CC(C)(C)CC(C)(C)c1ccc(OCC(=O)NN=Cc2cccc(I)c2)cc1 1772753052 SOGUITRAVZSRGT-UHFFFAOYSA-N 492.401 5.534 50 10 JKGE COc1cc(C=NNC(=O)COc2ccc(-c3ccccc3)cc2Br)ccc1OC(C)C 1772754126 OTPDVWZDCARULO-UHFFFAOYSA-N 497.389 5.441 50 10 JKGE N#CC1=C(N)Oc2c(c(-c3ccccc3)nn2Cc2ccccc2F)[C@H]1c1ccc(Cl)cc1 1865683583 MYDVWEZGMGJADP-QFIPXVFZSA-N 456.908 5.609 50 10 JKGE CC(C)Cn1nc(-c2ccccc2)c2c1OC(N)=C(C#N)[C@@H]2c1ccc(OCc2ccccc2)cc1 1865690285 NIMCOUSFXGLOOH-SANMLTNESA-N 476.580 6.003 50 10 JKGE CCCc1nn(-c2ccc(Cl)c(Cl)c2)c2c1[C@H](c1cc(OC)ccc1OC)C(C#N)=C(N)O2 1865691839 CGTRFTADMSCDNA-OAQYLSRUSA-N 485.371 5.367 50 10 JKGE CCCCOc1ccc([C@@H]2C(C#N)=C(N)Oc3c2c(CCC)nn3-c2ccccc2Cl)cc1 1865691910 DUWQPXFMPQYNLI-HSZRJFAPSA-N 462.981 5.875 50 10 JKGE CCCOc1ccc([C@@H]2C(C#N)=C(N)Oc3c2c(-c2ccc(OC)cc2)nn3-c2ccccc2)cc1 1865692739 FSCAFEHEVCWHRI-RUZDIDTESA-N 478.552 5.555 50 10 JKGE N#CC1=C(N)Oc2c(c(-c3ccccc3)nn2-c2cccc(Cl)c2)[C@@H]1c1ccc(F)cc1F 1865702111 MWRUAVNGBOBIAJ-OAQYLSRUSA-N 460.871 5.689 50 10 JKGE CCN(Cc1ccccc1)c1ccc([C@H]2C(C#N)=C(N)Oc3c2c(C(F)(F)F)nn3CC)cc1 1865706592 ADTBFGPPHQGRBX-FQEVSTJZSA-N 467.495 5.166 50 10 JKGE COc1ccccc1[C@@H]1C(C#N)=C(N)Oc2c1c(C(F)(F)F)nn2Cc1ccc(Cl)c(Cl)c1 1865709775 GONNIQYQUNICQR-QGZVFWFLSA-N 495.288 5.484 50 10 JKGE COc1ccc(-c2nn(Cc3cccc(Cl)c3)c3c2[C@@H](c2ccc(OC)cc2)C(C#N)=C(N)O3)cc1 1865713450 ZOGSCZXFMKODOD-DEOSSOPVSA-N 498.970 5.487 50 10 JKGE CCCC[C@H](NC(=O)Cc1nc(-c2ccccc2OC)oc1C)C(=O)Nc1ccc(SC#N)cc1 1866670921 UGXYPQHAMBKOSY-NRFANRHFSA-N 492.601 5.088 50 10 JKGE CCC[C@@H](NC(=O)c1ccc2oc(-c3ccc(C)cc3)nc2c1)C(=O)Nc1ccc(SC#N)cc1 1866880628 MJCSHMCQURVJCK-JOCHJYFZSA-N 484.581 5.914 50 10 JKGE CSCC[C@H](/C(O)=C(\C#N)c1nc(-c2ccc(Cl)cc2)cs1)N1C(=O)c2ccccc2C1=O 1872748211 NGJYUMAIXCUPQC-HWCXCKHPSA-N 496.013 5.674 50 10 JKGE CC[C@@H](C)N1C(=O)c2ccc(/C(O)=C(\C#N)c3nc(-c4cccc(Cl)c4)cs3)cc2C1=O 1872748326 SKDYSOIXORAPOX-IUXHBZJFSA-N 463.946 5.808 50 10 JKGE CC[C@H](C)N1C(=O)c2ccc(/C(O)=C(\C#N)c3nc(-c4cc(C)ccc4C)cs3)cc2C1=O 1872749928 OCZDMFBEBNLOHL-FRKCRFBYSA-N 457.555 5.771 50 10 JKGE COc1ccc(C(C)(C)C)cc1-c1csc(/C(C#N)=C(\O)Cc2ccc(Br)cc2)n1 1872751848 WUVNBYWIUNVRKJ-VZCXRCSSSA-N 483.431 6.914 50 10 JKGE COc1cc(/C=C(\C#N)c2nc(-c3c(C)cc(C)cc3C)cs2)cc(Br)c1OC(C)C 1872794240 QKSIMYIEUGDPBR-DJKKODMXSA-N 497.458 7.358 50 10 JKGE Clc1cc(I)c([C@H](Cl)c2cccc(OCc3ccccc3)c2)s1 1900917854 BFWVFWSKEMPVKK-QGZVFWFLSA-N 475.178 6.913 50 10 JKGE Cc1c(Br)sc([C@@H](Cl)c2cc(Cl)cc(F)c2F)c1Br 1922882419 LYOVNHZZPMHTSE-VIFPVBQESA-N 450.957 6.841 50 10 JKGE Cc1cc(F)cc([C@H](Br)c2sc(Br)c(C)c2Br)c1 1922946402 QRXGWUANOPDKKP-NSHDSACASA-N 457.000 6.513 50 10 JKGE Fc1ccc2cc([C@@H](Br)c3c(Cl)sc(Br)c3Cl)sc2c1 1925602219 ZGCAMXRQNAZTLG-SNVBAGLBSA-N 475.029 7.656 50 10 JKGE Cc1cc([C@@H](Br)c2cc(Cl)c(Br)s2)c(Br)s1 1939962151 HDXGNOKPZMYZFA-MRVPVSSYSA-N 465.457 6.781 50 10 JKGE C[C@@H](Br)CCOc1c(Br)cc(Br)cc1Br 1962371360 VXYKJKZPJUQHND-ZCFIWIBFSA-N 465.805 5.526 50 10 JKGE Fc1cc(Br)c([C@H](Br)[C@H]2C[C@@H](Br)C2)c(F)c1Cl 2023377403 LVMXYFGYOMBFBQ-IKMPGZOFSA-N 453.346 5.990 50 10 JKGE O=C(N[C@@H](CBr)c1ccsc1)c1cc(Br)c(Br)s1 2055484263 SGUHHDDCDWHGEI-QMMMGPOBSA-N 474.037 5.201 50 10 JKGE Clc1cc([C@H](Br)c2cc(Br)sn2)c(Cl)c(Cl)c1Cl 2056495193 BFCYHJCBLGRSDJ-ZETCQYMHSA-N 470.828 7.004 50 10 JKGE COCc1ccc([C@@H](Br)c2sc(Br)cc2Br)cc1 2071273119 AJCBCEZERKFJBW-GFCCVEGCSA-N 455.009 5.904 50 10 JKGE Cc1cc(Br)cc([C@@H](Br)c2c(Br)sc(C)c2C)c1 2082885545 QULRSQMCKJDEPH-CYBMUJFWSA-N 453.037 6.683 50 10 JKGE FC1(F)C[C@]12CC[C@@H]([C@H](Cl)c1c(Br)sc(Br)c1Cl)C2 2099913783 AOXUGRWVCSLXBC-RFXQIHQISA-N 454.989 7.032 50 10 JKGE ClCc1nc2cc(Cl)c(Br)cc2n1[C@]12C[C@H]1CN(Cc1ccccc1)C2 2112702014 QZGLTEZSTBJLEB-XOBRGWDASA-N 451.195 5.422 50 10 JKGE COc1cc(C)c(Br)cc1[C@H](Br)c1nc(C)sc1Br 2113185783 UHMSJMLBBYTHQD-NSHDSACASA-N 470.024 5.778 50 10 JKGE CC(C)(C)c1ccc([C@@H](Br)c2cc(I)ccc2F)s1 2113356991 AMPGOQNTKWAQMD-AWEZNQCLSA-N 453.158 6.274 50 10 JKGE FC(F)(F)c1cc(Br)cc([C@@H](Br)c2ccc(Br)s2)c1 2115770440 AZJPVYSKUSEMCC-LLVKDONJSA-N 478.953 6.776 50 10 JKGE Brc1ccc(Br)c(CN2CC[C@H]3CC[C@H](Br)[C@H]2C3)c1 2118524562 KRDDYYLULMOOSW-WKPIXPDZSA-N 452.028 5.350 50 10 JKGE Cl[C@@H](c1cc(I)sn1)c1cc(Br)cc2c1OCCC2 2120031779 KNWZNCDOJDVKBO-GFCCVEGCSA-N 470.557 5.163 50 10 JKGE CC(F)(F)c1ccc([C@H](Br)c2cc(Br)c(Br)s2)cc1 2128391436 XCZUZCVFUYEYTO-NSHDSACASA-N 474.990 6.869 50 10 JKGE Cc1cc(Cl)c(Br)cc1[C@H](Br)c1c(Br)c(C)nn1C 2137649205 UXSZAMAAFWEIBN-LBPRGKRZSA-N 471.418 5.700 50 10 JKGE Cc1c(Br)ccc([C@H](Br)C2CC[C@@H]3C[C@H]3CC2)c1Br 2138859125 AGXPCHBMFWHIMY-XHBSWPGZSA-N 451.040 6.782 50 10 JKGE Cc1c(Br)ccc([C@H](Cl)c2cc(Br)ccc2Cl)c1Br 2138859218 BCJBDJSKWWVNFS-AWEZNQCLSA-N 487.844 7.264 50 10 JKGE FC1(F)[C@H]2CC(CBr)(Cc3ccc(I)c(Cl)c3)C[C@@H]21 2142939094 DMAOMEORCYTQAC-UWVGGRQHSA-N 461.515 5.544 50 10 JKGE CC1(C)CC[C@@H](Cc2ccc(I)c(Cl)c2)[C@H](Br)CC1 2142953108 MVXLVMSPAIKNCN-QWHCGFSZSA-N 455.605 6.467 50 10 JKGE Brc1ccc([C@@H](CI)OCCOC2CCCCC2)cc1 2143650843 RHYUUDTWRRRIFG-MRXNPFEDSA-N 453.158 5.291 50 10 JKGE CCN(CCCOCc1ccccc1)S(=O)(=O)c1cc(CCl)c(Cl)cc1Cl 2153180507 JKRHCEAXXPIWGY-UHFFFAOYSA-N 450.815 5.350 50 10 JKGE Cc1cc(Br)c([C@@H](Br)[C@H]2CCCC(C)(C)CC2)cc1Br 2157079252 NTDSFYHBARKVLE-LRDDRELGSA-N 467.083 7.563 50 10 JKGE COc1cc(Cl)c([C@H](Br)c2nn(C)c(Cl)c2Br)cc1Cl 2167049521 XBNLZWVWJMCHNW-VIFPVBQESA-N 463.384 5.636 50 10 JKGE Fc1cc(Br)cc(N2CCc3c(Br)cccc32)c1CBr 2170697789 ZWAVXRRGDNFMAG-UHFFFAOYSA-N 463.970 5.940 50 10 JKGE FC(F)[C@H]1CN(Cc2ccccc2)C[C@@H]1n1c(CCl)nc2c(Br)cccc21 2193245638 QYGCCQMRFGSLQY-YOEHRIQHSA-N 454.746 5.476 50 10 JKGE CC1(C)CC[C@H](CO[C@@H](CI)c2ccccc2Br)OC1 2197344868 XEYYTXWEUOREGG-DOMZBBRYSA-N 453.158 5.147 50 10 JKGE Cc1ccccc1[C@@H](CI)OCc1cc(Cl)ccc1Br 2200755723 YPVXWNJICFLATE-MRXNPFEDSA-N 465.556 6.104 50 10 JKGE Cc1cc(Br)c(C)c([C@H](Br)[C@@H]2CC[C@H]3C[C@H]3CC2)c1Br 2201065897 VECQRNUPBMOSKT-IPJQOSJUSA-N 465.067 7.091 50 10 JKGE COCc1ccc([C@@H](Br)c2ccc(Br)c(C)c2Br)cc1 2203688695 VMQQDWGFVUEEDM-MRXNPFEDSA-N 463.007 6.151 50 10 JKGE CC1(C)C[C@H]([C@H](Br)c2c(Br)cc(Cl)c(Cl)c2Cl)CO1 2224302640 NKOGFLZQUDXXFF-WKEGUHRASA-N 451.413 6.660 50 10 JKGE Cc1cc(Br)c([C@H](Br)[C@]23CCCC[C@H]2C3)c(C)c1Br 2227360145 PGZRKUFZJKQXRI-UVBJJODRSA-N 451.040 6.845 50 10 JKGE Cc1sc([C@H](Br)c2cc(Cl)c(Br)cc2F)c(Br)c1C 2229319778 KYZALZCIMOFNOD-GFCCVEGCSA-N 491.445 7.167 50 10 JKGE Clc1ccc([C@H](Cl)c2c(Br)cc(Cl)c(Cl)c2Cl)c(Br)c1 2232510227 GIIMCQPAIRFNRD-NSHDSACASA-N 498.256 8.153 50 10 JKGE ClCc1nc2cc(Br)c(Br)cc2n1Cc1nc(Cl)cs1 2234068811 HXSLHCNVVHKWNN-UHFFFAOYSA-N 455.990 5.458 50 10 JKGE Cc1cc(Br)c([C@@H](Br)C2CC3(C2)CC3(F)F)c(C)c1Br 2235616751 FOOFSSXIANQKER-IMXVTNBVSA-N 472.993 6.700 50 10 JKGE Clc1cc(CN2C[C@H]3CCCC[C@@]3(CBr)C2)ccc1I 2239170846 DGEJRDYNUYOGFD-CZUORRHYSA-N 468.604 5.332 50 10 JKGE CCc1cc([C@@H](Br)c2cc(C)c(Br)s2)sc1Br 2248012252 GAUISCPBVJFOEH-JTQLQIEISA-N 459.066 6.690 50 10 JKGE FC(F)[C@@H]1CCC[C@@H]1[C@@H](Br)c1cc(Br)sc1Br 2249237671 LSWNCLDSUIKYPY-CCGCGBOQSA-N 452.984 6.391 50 10 JKGE Cc1cc(Cl)c(Cl)cc1[C@@H](Br)c1cc(Br)sc1Br 2253414949 UUJDFVUNTBHTFC-LLVKDONJSA-N 493.873 7.373 50 10 JKGE Cc1cc(Br)c(C)c([C@H](Br)[C@]23CCC[C@@H]2CC3)c1Br 2273372221 VXRZFAHKGPYQLR-RLCCDNCMSA-N 451.040 6.845 50 10 JKGE C[C@@H]1C[C@@H]1CCCCCOc1c(Br)cc(CBr)cc1Br 2284853018 KNNKXGMRNORPLR-YPMHNXCESA-N 469.055 6.702 50 10 JKGE Cc1cc(Br)cc([C@H](Cl)c2c(F)cc(Br)c(F)c2Br)c1 2288353499 LAZFAALOMJXYOR-ZDUSSCGKSA-N 489.379 6.889 50 10 JKGE N#CC(C(=O)NCc1ccccc1)=C1S[C@H](Cc2ccc(Cl)cc2)C(=O)N1c1ccc(F)cc1 2293039234 QXDIIYINWPFALC-HSZRJFAPSA-N 491.975 5.222 50 10 JKGE N#CC(=Cc1ccc(OCc2cccc3ccccc23)cc1)C(=O)Nc1cc(Cl)ccc1Cl 2294146942 IFAMFGSVTXNOIK-UHFFFAOYSA-N 473.359 7.271 50 10 JKGE CC1(C)CCC[C@H]([C@H](Br)Cc2cc(Br)cc(Br)c2)CC1 2295335551 LTMAQSRACDJOLZ-XJKSGUPXSA-N 467.083 7.124 50 10 JKGE N#CC(=Cc1ccc(OCc2ccccc2)cc1)c1nc(-c2cc3ccccc3oc2=O)cs1 2296397981 LAUHPYOJSOGKJP-UHFFFAOYSA-N 462.530 6.560 50 10 JKGE CCN(CC)CCOC(=O)c1ccc(NC=C(C#N)c2nc(-c3cccc(OC)c3)cs2)cc1 2296557140 LBXCXLPDTRAQTL-UHFFFAOYSA-N 476.602 5.294 50 10 JKGE N#CC(C(=O)NCc1ccccc1)=C1S[C@@H](Cc2ccccc2Cl)C(=O)N1c1ccc(F)cc1 2296835101 YTLAZWZDDLPCTO-QHCPKHFHSA-N 491.975 5.222 50 10 JKGE CC[C@@H]([C@H](Br)c1cc(Br)ccc1OCc1ccccc1)C(C)(F)F 2299489135 MTUFHJKFRMVRDT-FUHWJXTLSA-N 462.172 7.146 50 10 JKGE Fc1c(Br)cc(Cl)c([C@@H](Cl)C2CC(Br)C2)c1Br 2300171213 YARHJHUUQYFHQY-BNKMTRCXSA-N 469.801 6.458 50 10 JKGE COc1cc(C=C(C#N)c2nc3ccccc3[nH]2)ccc1Oc1c(F)c(F)c(F)c(F)c1F 2313544009 YKDJSIXCHYRVAW-UHFFFAOYSA-N 457.358 6.123 50 10 JKGE CCc1cc(Br)ccc1-c1ccc(C=C(C#N)C(=O)Nc2ccc(C)c(Cl)c2)o1 2313553178 PBSQVPRROLYAMM-UHFFFAOYSA-N 469.766 6.779 50 10 JKGE N#CC(=Cc1ccc(-c2ccc(C(=O)O)c(Cl)c2)o1)C(=O)Nc1cccc(Cl)c1Cl 2313571256 QWEXQYMAHBXMSK-UHFFFAOYSA-N 461.688 6.151 50 10 JKGE CCOc1ccc(NC(=O)C(C#N)=Cc2cc(Cl)ccc2OCc2ccc(F)cc2)cc1 2313675552 AFXFBHWYGWRMKI-UHFFFAOYSA-N 450.897 6.002 50 10 JKGE Fc1cc([C@@H](Cl)c2ccc(OCc3ccccc3)cc2Br)ccc1Br 2314452405 MYOHYLHQRLWICC-HXUWFJFHSA-N 484.590 7.258 50 10 JKGE CC(C)(C1CCCC1)[C@@H](Br)c1ccc(OCc2ccccc2)cc1Br 2314453963 AWVOWPKGLFLHJB-NRFANRHFSA-N 466.257 7.681 50 10 JKGE Cc1ccc([C@@H](Br)c2c(Cl)sc(Cl)c2C)cc1I 2314505312 IDAGOHBMBXRBKB-LLVKDONJSA-N 476.004 6.761 50 10 JKGE Cc1c(Cl)sc(Cl)c1[C@H](Cl)c1cc(I)ccc1Br 2314511934 KCJVEYWKMYHTNY-SNVBAGLBSA-N 496.422 7.059 50 10 JKGE Cc1c(Cl)sc(Cl)c1[C@@H](Br)Cc1ccccc1I 2314516754 ADVYFPUPHQKNRW-VIFPVBQESA-N 476.004 6.647 50 10 JKGE CCCCCCCOc1ccc(C=C2C(=O)N(CCc3ccccc3)C(=O)C(C#N)=C2C)cc1 2314616614 FRKXWXPPBMAARE-UHFFFAOYSA-N 456.586 5.871 50 10 JKGE CCCCCCCOc1ccc(C=C2C(=O)N(Cc3ccc4c(c3)OCO4)C(=O)C(C#N)=C2C)cc1 2314617431 YFJJRHDQFZCPTN-UHFFFAOYSA-N 486.568 5.557 50 10 JKGE COc1cc(C=C(C#N)c2ccc(Cl)cc2)ccc1OC(=O)CCc1cccc(Cl)c1 2314810479 NEAXPMNQXPUGEZ-UHFFFAOYSA-N 452.337 6.604 50 10 JKGE CCC(C)(CC)[C@@H](Br)c1c(Cl)cc(Br)c(F)c1Br 2315447971 UUWHZEYSSUZTSN-LBPRGKRZSA-N 465.426 7.266 50 10 JKGE ClCc1cc(Oc2cc(Br)cc(Br)c2)ncc1Br 2316726086 MIMGADZXXUKOJE-UHFFFAOYSA-N 456.359 5.900 50 10 JKGE Clc1cc(Cl)cc(CC[C@H](Br)c2cc(I)sn2)c1 2318653923 DTEJOUSQFSGTIM-JTQLQIEISA-N 476.992 6.123 50 10 JKGE O=C(CSc1nc2ccccc2[nH]1)NN=Cc1ccc(OCc2ccccc2)c(Cl)c1 2323081457 SZEGBUJCUFWAFI-UHFFFAOYSA-N 450.951 5.038 50 10 JKGE COc1ccc([C@@H](C)NC(=O)C(C#N)=CNc2ccccc2Sc2ccccc2)cc1OC 2325045201 QXMQPHDUZBAVCK-GOSISDBHSA-N 459.571 5.552 50 10 JKGE CCCOc1ccc(-c2csc(C(C#N)=C(O)Cc3ccccc3OC)n2)cc1OCCC 2331293207 GSZXBHKDKSBOCD-UHFFFAOYSA-N 464.587 6.432 50 10 JKGE CCOc1cc(C(O)=C(C#N)c2nc(-c3ccc(F)c(C)c3)cs2)cc(OCC)c1OCC 2331320068 MWZOWNYSBVQMHD-UHFFFAOYSA-N 468.550 6.404 50 10 JKGE COc1c(Cl)cc(Cl)cc1-c1csc(C(C#N)=C(O)[C@@H](C)Oc2ccc(C(C)C)cc2)n1 2331362676 LTLSSRMFFBYCQM-CQSZACIVSA-N 489.424 7.509 50 10 JKGE CCOc1ccc(OCC)c(-c2csc(C(C#N)=C(O)C=Cc3ccc4c(c3)OCCO4)n2)c1 2331376580 VJVQNYDUGOKKAC-UHFFFAOYSA-N 476.554 5.885 50 10 JKGE COc1cc(Cl)c(C)cc1-c1csc(C(C#N)=C(O)C=Cc2ccc(C(C)(C)C)cc2)n1 2331390561 NVGFIIIKUJOQDV-UHFFFAOYSA-N 465.018 7.584 50 10 JKGE COc1ccc(-c2csc(C(C#N)=Cc3ccc(OC(=O)c4ccccc4)c(OC)c3)n2)cc1OC 2331418186 OTXUOTPVRUUKFA-UHFFFAOYSA-N 498.560 6.119 50 10 JKGE CCOc1cc(C=C(C#N)c2nc(-c3cccs3)cs2)ccc1OCc1ccc(C)cc1 2331450599 CPATXRFICYMJRI-UHFFFAOYSA-N 458.608 7.222 50 10 JKGE CCCCCCCOc1ccc(-c2csc(C(C#N)=Cc3ccc(N(CC)CC)cc3)n2)cc1 2331460721 ZIDHGHGFJIYEGT-UHFFFAOYSA-N 473.686 8.070 50 10 JKGE Cn1nc([C@H](Br)c2c(F)cc(Cl)c(Br)c2Cl)cc1Cl 2335356737 UKINPFGVPLUOBM-JTQLQIEISA-N 451.348 5.766 50 10 JKGE COc1ccc([C@H](Br)c2cc(Br)ccc2OCc2ccccc2)c(F)c1 2336046326 CQGNJYPBRRDFNJ-NRFANRHFSA-N 480.171 6.660 50 10 JKGE CC(C)(CC(F)F)[C@H](Br)c1c(Cl)cc(Br)c(F)c1Br 2337087414 YKYLZFJWGSWDPH-LLVKDONJSA-N 487.379 7.122 50 10 JKGE C[C@@H]1CC[C@@H](C[C@@H](Br)c2c(Cl)cc(Br)c(F)c2Br)O1 2337093581 GTKUPMWRYWUSIL-GJMOJQLCSA-N 479.409 6.398 50 10 JKGE Fc1c(Br)cc(Cl)c([C@@H](Br)C(F)(F)C(F)(F)F)c1Br 2337113113 HBDPYXFJJSMGAV-SSDOTTSWSA-N 499.268 6.638 50 10 JKGE CC(C)(C)CCN(CCBr)Cc1ccc(Cl)c(I)c1 2337225379 LDSYLFOVPGIYFR-UHFFFAOYSA-N 458.609 5.578 50 10 JKGE C[C@H]1C[C@H]2C[C@]([C@H](Br)c3cc(Br)c(Br)cc3F)(C2)O1 2342638822 FOXBWUOMFWFDHW-JIQLLMHVSA-N 456.975 5.744 50 10 JKGE Cc1cc(Br)c([C@@H](Br)[C@@H]2CC[C@H]2C(C)(C)C)cc1Br 2343144363 ZONIFLFMQHPFCV-HCKVZZMMSA-N 453.056 7.028 50 10 JKGE COC[C@@H]1CC[C@@H](Cc2ccc(I)c(Br)c2)C[C@@H]1Cl 2349780776 ITCWBPOHGAEOOW-OBJOEFQTSA-N 457.577 5.266 50 10 JKGE COCc1cc(Br)c([C@@H](Br)c2ccc(Cl)c(Cl)c2C)s1 2364439333 YSAPNMZFNFARQH-LBPRGKRZSA-N 459.030 6.757 50 10 JKGE Cc1cc(Br)c(F)c(Br)c1[C@H](Br)C[C@H]1CCC[C@@H]2C[C@@H]21 2365224923 DBJAKWPKDDMPMZ-WISYIIOYSA-N 469.030 6.921 50 10 JKGE Clc1cc(Cl)cc(CC[C@H](Cl)c2c(Cl)sc(Br)c2Cl)c1 2366791649 BZYKSFBMZFIQRD-VIFPVBQESA-N 453.443 8.037 50 10 JKGE O=C(Nc1ccc(CCl)c(F)c1)c1ccc(I)c(Br)c1 2367689167 LGWBZJVJLYTXHB-UHFFFAOYSA-N 468.491 5.184 50 10 JKGE Cl[C@@H]1CCC2(CCN(Cc3ccc(I)c(Br)c3)CC2)C1 2377353010 NHNNRTGCPSGTBK-CYBMUJFWSA-N 468.604 5.427 50 10 JKGE CC(=O)C1=C(C)NC(SCC(=O)c2cccc(Br)c2)=C(C#N)[C@@H]1c1sccc1C 1199122 LNPDPMXNSGAJTC-FQEVSTJZSA-N 487.444 5.720 50 10 JKGE CCOc1ccc(-c2cc(C(=O)NNC=C3C=C(C(C)(C)C)C(=O)C(C(C)(C)C)=C3)[nH]n2)cc1 8431221 IYNYHBWIRHETED-UHFFFAOYSA-N 462.594 5.121 50 10 JKGE Cc1cccc(Cl)c1OCc1ccc(/C=N/NC(=O)c2ccc(NC(=O)c3ccccc3)cc2)o1 9695075 HFGGQDDJJNEADS-MUFRIFMGSA-N 487.943 5.837 50 10 JKGE N#C/C(=C/c1cccc(OC(=O)/C=C/c2ccc(OCc3ccccc3)cc2)c1)c1cccc(Cl)c1 31902515 BKRSPNWYXFEQDM-UXSKVLBJSA-N 491.974 7.602 50 10 JKGE Cc1ccc(Oc2nc3c(C)cccn3c(=O)c2/C=C(/C#N)c2nc3ccccc3n2C)c(C)c1 33590288 ZHMVLDMMXDOUDF-HKWRFOASSA-N 461.525 5.363 50 10 JKGE C/C(=N\NC(=O)[C@H]1COc2ccccc2O1)c1ccc2c(c1)[C@@H]1C=CC[C@@H]1[C@H](c1ccccc1)N2 38160209 MDEVGSRYRLSVOE-USLUDYHISA-N 465.553 5.193 50 10 JKGE CCOc1cc(/C=C2/C(=O)N(C(C)C)C(=O)C(C#N)=C2C)ccc1OCc1ccc(Cl)cc1 38604632 PEFQBLAVMVKYSW-CIAFOILYSA-N 464.949 5.318 50 10 JKGE CC(C)c1ccc(O[C@@H](C)C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@H]3c2ccc(Cl)cc2)cc1 38651417 MXNFODLJJJOZNS-QLXKLKPCSA-N 488.971 6.054 50 10 JKGE CC(C)c1ccc(O[C@@H](C)C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@H]3c2ccccc2F)cc1 38652277 OXGJFGFKUKBJCH-QLXKLKPCSA-N 472.516 5.540 50 10 JKGE C=CCOc1ccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4ccc(OCCC)cc4)ccc32)cc1 38658136 CMTPFTUWZXQLBF-HHHXNRCGSA-N 482.536 5.478 50 10 JKGE CCCCOc1cc(/C=C(\C#N)C(=O)Nc2sc3c(c2C(=O)OCC)CCCC3)ccc1OC 39885099 BPJVBCZVCITWAA-NBVRZTHBSA-N 482.602 5.537 50 10 JKGE Cc1cc(Cl)ccc1NC(=O)c1oc2c(c1C)/C(=N/NC(=O)Cc1ccc([N+](=O)[O-])cc1)CCC2 40814572 RBMXHBPBHBEHIV-VFCFBJKWSA-N 494.935 5.110 50 10 JKGE CCCOc1c(Br)cc(/C=C(\C#N)C(=O)Nc2ccc(OCC)cc2)cc1OC 59272286 ZUHYUGKDWOZRCM-LFIBNONCSA-N 459.340 5.191 50 10 JKGE CCOc1cc(/C=C(\C#N)C(=O)NCc2ccccc2)ccc1OCc1cccc2ccccc12 96476481 BMCPNVQQCDBJNY-YZSQISJMSA-N 462.549 6.041 50 10 JKGE CCCCCCCOc1ccc(C(=O)NNC(=O)c2ccc(OCc3ccccc3)cc2)cc1 100153837 OCHNVHPBGIZRMJ-UHFFFAOYSA-N 460.574 5.690 50 10 JKGE COc1ccc(-c2csc(/C(C#N)=C\Nc3ccc4c(C(F)(F)F)cc(=O)oc4c3)n2)cc1 102415805 HPDPXMIBNWIKAY-KAMYIIQDSA-N 469.444 5.920 50 10 JKGE COc1cc(/C=C(/C#N)C(=O)Nc2nc3ccccc3s2)ccc1OCCCOc1ccc(C)cc1 102443815 XTABMPHBAOZWFA-PGMHBOJBSA-N 499.592 6.007 50 10 JKGE ClCCc1nc2cc(Cl)c(Cl)cc2n1-c1ccc(I)cc1 125169617 KOHOTZNPCLBJKH-UHFFFAOYSA-N 451.522 5.718 50 10 JKGE CCCCOc1ccc(/C=N/NC(=O)COc2ccc(C(C)(C)CC(C)(C)C)cc2)cc1OC 206175289 HMEJHHCOWGVSQE-RDRPBHBLSA-N 468.638 6.117 50 10 JKGE CCOC(=O)c1c(NC(=O)/C(C#N)=C\c2cc(OC)c(OC)c(OC)c2)sc2c1CC[C@@H](CC)C2 209398576 IADVZCFKHZKCSB-DISPHTKASA-N 498.601 5.011 50 10 JKGE C=CCN1C(=O)C(C#N)=C(C)/C(=C/c2cn(-c3ccccc3)nc2-c2ccc(OC(C)C)c(C)c2)C1=O 214352967 OYPFFWOXDAZXPC-XYGWBWBKSA-N 492.579 5.413 50 10 JKGE N#C/C(=C/N1CCN(C(c2ccccc2)c2ccccc2)CC1)C(=O)Nc1ccccc1Cl 217108901 PQEIBXKMOSMBAR-ATJXCDBQSA-N 456.977 5.093 50 10 JKGE N#C/C(=C/NCCc1cccc(Br)c1)C(=O)Nc1ccc(Cl)c(C(F)(F)F)c1 217250785 KNDRTZKDUZVOOH-QBFSEMIESA-N 472.692 5.300 50 10 JKGE COC(C)(C)CCC(CBr)(CBr)c1cccc(Br)c1 230928146 AMJLJAJJXJHGCA-UHFFFAOYSA-N 457.044 5.682 50 10 JKGE Cc1cc([C@@H](Br)c2ccc(I)c(Cl)c2)c(Cl)cc1F 232344803 AFYVVQFKXGKJKE-AWEZNQCLSA-N 473.938 6.530 50 10 JKGE COc1ccc([C@H](Br)c2cc(Br)cc(Br)c2)cc1Cl 234991787 QVDGNKORNJGDFF-AWEZNQCLSA-N 469.398 6.358 50 10 JKGE Fc1ccc([C@@H](Br)c2cc(Br)ccc2I)c(F)c1 236170487 AQSZYYCZNWCLDM-CYBMUJFWSA-N 487.907 5.816 50 10 JKGE Cc1cc([N+](=O)[O-])ccc1-n1c(C)cc(C=NNC(=O)c2cc3c(ccc4ccccc43)o2)c1C 254417078 PUOWETYRZKGJSG-UHFFFAOYSA-N 466.497 5.974 50 10 JKGE CCCOc1ccc(-c2nn(-c3ccccc3)cc2C=NNC(=O)c2ccc(OC)cc2)cc1 254533171 NWRRDSGDQOOJRF-UHFFFAOYSA-N 454.530 5.101 50 10 JKGE 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@]12C)C(C)C 254622677 FOQAJGFTDYXPDS-NUNOXJAUSA-N 475.157 9.184 50 10 JKGE ClCCc1nc2cc(I)ccc2n1C[C@H]1CCCN(Cc2ccccc2)C1 312624006 HXUUHGVLYSDOIA-SFHVURJKSA-N 493.820 5.334 50 10 JKGE Cc1cc([C@@H](Br)c2cc(I)ccc2Br)c(C)cc1F 386446343 PRWXOYLJOLYJSQ-OAHLLOKOSA-N 497.971 6.294 50 10 JKGE BrC[C@H](Cc1ccc(Br)cc1)Cc1ccsc1Br 388889839 NEJPRTLNJTXZJW-LLVKDONJSA-N 453.037 6.069 50 10 JKGE COCc1cc(Br)c([C@@H](Br)Cc2ccc(Br)cc2F)s1 688093159 OKPMDYKWCPTOKP-NSHDSACASA-N 487.026 6.237 50 10 JKGE CC[C@H](C)c1ccc([C@H](Br)c2scc(Br)c2Br)cc1 705445659 ADGMTXGXUYBSFE-ZANVPECISA-N 467.064 7.271 50 10 JKGE C[C@@H](CC(CBr)(CBr)c1cccc(Br)c1)C(C)(C)C 710816965 ZDXWYORPAZWJGP-LBPRGKRZSA-N 455.072 6.549 50 10 JKGE BrCc1c(Br)cccc1N1CC[C@H]2[C@@H](CCCN2Cc2ccccc2)C1 715015554 QQAMZGMTWNUDFS-RXVVDRJESA-N 478.272 5.835 50 10 JKGE COc1cc(/C=C(/C#N)C(=O)Nc2cc(Cl)ccc2Cl)ccc1OCc1ccc(F)cc1 1083952390 ZQAKTJFYGZJLMW-YVLHZVERSA-N 471.315 6.266 50 10 JKGE Cc1ccc(CSCC(=O)NN=Cc2c(Br)c(C)n(-c3cc(C)cc(C)c3)c2C)cc1 1084025323 JMKBBZNAPIHBKF-UHFFFAOYSA-N 498.490 6.165 50 10 JKGE C=CCc1cc(/C=C(\C#N)C(=O)N2CCN(c3ccccc3)CC2)ccc1OCc1cccc(F)c1 1084036275 FWFBZDLCUCAXHM-LGUFXXKBSA-N 481.571 5.389 50 10 JKGE COc1cc(C=NNC(=O)CC[C@@H](O)c2ccccc2)ccc1OCc1ccc(Cl)cc1Cl 1084095434 GKOUOJFJGSRYOH-JOCHJYFZSA-N 487.383 5.545 50 10 JKGE Cc1ccc(-c2ccccc2)n1-c1ccc(C(=O)NN=Cc2ccc(-c3cccc([N+](=O)[O-])c3)o2)cc1 1084189015 UTESRACAGZFJIK-UHFFFAOYSA-N 490.519 6.385 50 10 JKGE CCOc1ccc([C@@H](O)CCC(=O)NN=Cc2ccc(-c3ccc(Br)cc3)o2)cc1 1084473716 ITBPYPFGMLZWPS-NRFANRHFSA-N 471.351 5.072 50 10 JKGE COc1ccccc1/C(C#N)=C/c1ccc(OC(=O)[C@H](C)Oc2ccc(Cl)cc2Cl)cc1 1615099413 WRAOXKCWKIPISQ-HZGBGQKMSA-N 468.336 6.439 50 10 JKGE Cc1c(C(=O)Nc2ccc(Cl)cc2Cl)oc2c1C(=NNC(=O)c1ccc(Cl)cc1)CCC2 1772744482 YFKMJVDWZAASGT-UHFFFAOYSA-N 490.774 6.271 50 10 JKGE COc1ccc(C(=O)NN=C2CCCc3oc(C(=O)Nc4cccc5ccccc45)c(C)c32)cc1 1772745665 GNSXDNYZEFLYRB-UHFFFAOYSA-N 467.525 5.473 50 10 JKGE Cc1c(C(=O)Oc2cccnc2)oc2c1C(=NNC(=O)c1ccc(-c3ccccc3)cc1)CCC2 1772746338 DOIRGHQVKHPFAO-UHFFFAOYSA-N 465.509 5.340 50 10 JKGE Cc1c(C(=O)Nc2cc(Cl)cc(Cl)c2)oc2c1C(=NNC(=O)Cc1ccccc1)CCC2 1772747267 AFZFODCJNGMVGF-UHFFFAOYSA-N 470.356 5.546 50 10 JKGE COc1cccc(OCC(=O)NN=Cc2ccc(OCc3c(Cl)cccc3Cl)c(OC)c2)c1 1772755818 FPUDLVCYVLRABA-UHFFFAOYSA-N 489.355 5.119 50 10 JKGE CC(C)c1cccc(C(C)C)c1NC(=O)COc1cccnc1NC(=O)Oc1ccc([N+](=O)[O-])cc1 1858681566 GPAJEJPRPQFAMP-UHFFFAOYSA-N 492.532 5.865 50 10 JKGE N#CC1=C(N)Oc2c(c(C(F)(F)F)nn2Cc2ccc(Cl)cc2)[C@H]1c1ccc(Cl)cc1Cl 1865686355 UJHNLJMYSSIPAD-INIZCTEOSA-N 499.707 6.129 50 10 JKGE CCCc1nn(Cc2ccc(C)cc2)c2c1[C@@H](c1c(OC)ccc3ccccc13)C(C#N)=C(N)O2 1865687856 BXIQHMHGRRFJAS-AREMUKBSSA-N 464.569 5.572 50 10 JKGE CCOc1ccc([C@H]2C(C#N)=C(N)Oc3c2c(CC)nn3-c2ccc(Cl)cc2)cc1OCC 1865689449 SEJUSZKFCRHMBK-QFIPXVFZSA-N 464.953 5.104 50 10 JKGE CCCc1nn(Cc2ccccc2F)c2c1[C@H](c1ccc(OCc3ccccc3)cc1)C(C#N)=C(N)O2 1865690336 OUWCRLKGAMEQSJ-HHHXNRCGSA-N 494.570 5.820 50 10 JKGE CCCOc1ccc([C@@H]2C(C#N)=C(N)Oc3c2c(-c2ccccc2)nn3Cc2cccc(F)c2)cc1 1865694638 YECAHRYFPBKCSQ-RUZDIDTESA-N 480.543 5.744 50 10 JKGE COc1cc([C@@H]2C(C#N)=C(N)Oc3c2c(-c2ccccc2)nn3-c2ccccc2)ccc1OC(C)C 1865697148 OFZRJFSYLSTKPX-RUZDIDTESA-N 478.552 5.553 50 10 JKGE COc1ccc([C@@H]2C(C#N)=C(N)Oc3c2c(-c2ccccc2)nn3Cc2ccc(Cl)cc2)cc1OC 1865707005 LIUJTXWEQYRWQW-XMMPIXPASA-N 498.970 5.487 50 10 JKGE Cc1ccccc1[C@@H]1C(C#N)=C(N)Oc2c1c(-c1ccccc1)nn2Cc1cccc(Cl)c1 1865713210 UEZQDZFPNGVUQJ-HSZRJFAPSA-N 452.945 5.778 50 10 JKGE N#CSc1ccc(NC(=O)[C@H](Cc2ccc(F)cc2)NC(=O)CCCC(=O)c2cccs2)cc1 1866793608 GZXLIGGYVUBLNA-NRFANRHFSA-N 495.601 5.180 50 10 JKGE CCc1nc(Nc2ccc(SC#N)cc2)cc(N2CCN(CCc3cccc(Cl)c3)CC2)n1 1868277959 OAFNJTMTLSOORF-UHFFFAOYSA-N 479.053 5.374 50 10 JKGE Cc1c([N+](=O)[O-])cc(/C(O)=C(\C#N)c2nc(-c3ccc4c(c3)CCCC4)cs2)cc1[N+](=O)[O-] 1872745589 USKKKBVNDHZLSP-PYCFMQQDSA-N 462.487 5.764 50 10 JKGE COc1ccc(-c2csc(/C(C#N)=C(\O)[C@@H](CC(C)C)N3C(=O)c4ccccc4C3=O)n2)cc1C 1872746407 GSVIQNNSXPFMQB-JZBNPYPUSA-N 487.581 5.631 50 10 JKGE Cc1cc(-c2csc(/C(C#N)=C(\O)c3ccc4c(c3)C(=O)N(C3CCCCC3)C4=O)n2)ccc1F 1872750168 ZRXMRBKLWINXNI-FLFQWRMESA-N 487.556 6.136 50 10 JKGE Cc1cc(C)c(C)c(-c2csc(/C(C#N)=C(\O)CCCOc3cc(C)c(Cl)c(C)c3)n2)c1C 1872754147 FMRHPHXXXYOVLM-GYHWCHFESA-N 481.061 7.966 50 10 JKGE COc1ccc(OC/C(O)=C(\C#N)c2nc(-c3c(C)c(C)cc(C)c3C)cs2)c(C(C)(C)C)c1 1872754274 KUUHWSWNEGQHPS-FLFQWRMESA-N 476.642 7.222 50 10 JKGE COc1c(Cl)cc(Cl)cc1-c1csc(/C(C#N)=C(\O)COc2ccc(C)c(C)c2)n1 1872754467 UHSKTUYIINQGFO-JZJYNLBNSA-N 461.370 6.614 50 10 JKGE COc1cc(-c2csc(/C(C#N)=C(O)/C=C/c3cccc(Cl)c3)n2)c(OC)cc1Cl 1872754676 DFTXRAOKVCMZIV-PWHQALQLSA-N 459.354 6.640 50 10 JKGE CCOc1ccc(/C=C/C(O)=C(\C#N)c2nc(-c3cc(OCC)ccc3OCC)cs2)cc1 1872755140 ZYRRQTSGGIESPM-JURBMKICSA-N 462.571 6.512 50 10 JKGE COc1ccc(-c2csc(/C(C#N)=C(\O)[C@@H]3CC(=O)N(Cc4ccccc4)C3)n2)c2ccccc12 1872758643 JOWLMCIFXHIYNY-DASRABTFSA-N 481.577 5.813 50 10 JKGE Clc1c(Br)sc(Br)c1[C@H](Br)[C@@H]1CCC[C@@H]2C[C@@H]21 1905659227 KYLBOGSRHYUQEQ-JAGXHNFQSA-N 463.460 6.799 50 10 JKGE C[C@H](c1cccs1)N(Cc1ccccc1)S(=O)(=O)c1ccc(Br)c(CCl)c1 1914890756 JMDDKYYRRZKJPM-OAHLLOKOSA-N 484.868 6.202 50 10 JKGE CC(C)[C@@H](CBr)N(Cc1ccccc1)C(=O)c1ccc(Cl)cc1Br 1915297416 GVIXSFSIUAAIEL-GOSISDBHSA-N 473.636 6.164 50 10 JKGE Cc1c(Br)sc([C@H](Br)[C@]23CCCC[C@H]2OCC3)c1Br 1922930621 UOQWKIVYWQSBSR-LQJRIPTKSA-N 473.068 6.367 50 10 JKGE Clc1c(Br)sc(Br)c1[C@@H](Br)C1CCC2(CC1)CC2 1923039747 QOTSILGXTAPXHS-VIFPVBQESA-N 477.487 7.333 50 10 JKGE Cn1ncc(Cl)c1[C@@H](Br)c1c(Br)sc(Br)c1Cl 1923040432 UQVZSLZFTMPENI-YFKPBYRVSA-N 483.838 5.798 50 10 JKGE F[C@@H]1CC[C@H]([C@@H](Br)c2c(Br)sc(Br)c2Br)C1 1924570474 KBXNZVSHFFUZSS-HBPOCXIASA-N 499.863 6.610 50 10 JKGE C[C@@H]1COc2ccc([C@@H](Br)c3ccc(I)c(Cl)c3)cc21 1925753024 FUJJRITZZQIXSH-JDNHERCYSA-N 463.540 5.925 50 10 JKGE Cc1csc([C@@H](Cl)c2sc(Br)cc2Br)c1Br 1939882030 CVTCULZWXAHKEK-QMMMGPOBSA-N 465.457 6.734 50 10 JKGE C[C@H]1CN(c2ccc(Br)cc2CBr)[C@H](C)CN1Cc1ccccc1 1946783431 PKZZCEATDBTUNM-JKSUJKDBSA-N 452.234 5.443 50 10 JKGE CCc1cc(Br)c([C@@H](Br)c2cccc(Br)c2F)s1 2029232937 NGNBVUULQNTCSA-NSHDSACASA-N 457.000 6.459 50 10 JKGE Cl[C@H](c1c(Br)sc(Br)c1Br)[C@H]1CC12CCCCC2 2039005976 MEECQGKDXONFRO-XCBNKYQSSA-N 477.487 7.286 50 10 JKGE CCc1sc(Br)cc1[C@H](Br)c1c(Br)sc(C)c1C 2039503408 PGEPVHWCJYJASB-LBPRGKRZSA-N 473.093 6.998 50 10 JKGE CCc1cc(Br)c([C@@H](Br)c2c(Br)sc(C)c2C)s1 2039504151 WBAHWSCWDUBVAE-NSHDSACASA-N 473.093 6.998 50 10 JKGE C[C@H](NCCSSCCNC(=O)OC(C)(C)C)c1ccc(F)cc1Br 2061263455 ALXAJIZMGMNMAG-LBPRGKRZSA-N 453.443 5.145 50 10 JKGE Cc1c(Br)sc([C@H](Br)C(F)(F)C2CCCC2)c1Br 2065541275 QDRVQLSDMAJKEP-JTQLQIEISA-N 467.011 6.843 50 10 JKGE Fc1ccc(I)c(Cn2nc(C3CCCCC3)cc2CBr)c1 2070039474 TUBIKTMWRLAPOU-UHFFFAOYSA-N 477.159 5.618 50 10 JKGE CCc1nn(C)c([C@@H](Cl)c2cc(Br)c(Br)s2)c1Br 2072302535 LQHWOPKFYGUDNZ-VIFPVBQESA-N 477.447 5.660 50 10 JKGE COc1cc(C)c([C@@H](Br)c2cscc2OCc2ccccc2)cc1Br 2077999719 RNJMAJOFSHFZEK-HXUWFJFHSA-N 482.237 6.891 50 10 JKGE Cc1c(Br)ccc([C@@H](Br)C[C@H](C)C(F)(F)F)c1Br 2083323531 XGPZFGCGFHGEEX-WKEGUHRASA-N 452.934 6.545 50 10 JKGE Cl[C@H](Cc1ccccc1Br)c1ccc(Br)cc1Br 2083331617 AXXVSUDGYKXSPX-CQSZACIVSA-N 453.399 6.497 50 10 JKGE Cc1ccc(Br)cc1[C@@H](Br)c1ccc(Br)cc1Br 2083333909 KLZZOXYMTMJLHB-AWEZNQCLSA-N 497.850 6.767 50 10 JKGE Cc1cc([C@H](Cl)c2c(Br)sc(C)c2C)ccc1I 2086023515 NGKHIURBQCPOGX-ZDUSSCGKSA-N 455.586 6.369 50 10 JKGE C[C@H]1Cc2cc([C@@H](Br)c3ccc(Br)s3)cc(Br)c2O1 2090466296 DJPIVOKFCLRULZ-WPPNPWJKSA-N 467.020 6.081 50 10 JKGE Cc1cc(Br)c([C@@H](Br)C(C)(C)C2CCCC2)cc1Br 2093192963 MURVFKDJVOUNJM-OAHLLOKOSA-N 453.056 7.172 50 10 JKGE Brc1ccc(CN2[C@H]3CCC[C@H](Br)[C@H]2CC3)c(Br)c1 2097811846 NWBQIFGTTWXZOM-KCQAQPDRSA-N 452.028 5.492 50 10 JKGE BrCc1cc(Br)cc(Br)c1OC1[C@@H]2CCCCC[C@@H]12 2111902054 FDKKGWOWUNLDNM-VXGBXAGGSA-N 453.012 6.064 50 10 JKGE C[C@@H](COCc1ccccc1)Cn1c([C@@H](C)Cl)nc2cc(Cl)c(Br)cc21 2112697141 SAULHNQPKIFUQA-ZIAGYGMSSA-N 456.211 6.605 50 10 JKGE CC[C@@H](Br)[C@H]1CCCCN1C(=O)c1scc(Br)c1Br 2114203048 GBPQQWFJKWIMQJ-PSASIEDQSA-N 474.056 5.441 50 10 JKGE Cc1c(Br)sc([C@H](Br)[C@@H]2[C@@H]3CCCC(F)(F)[C@H]32)c1Br 2114393746 UEBIRUNNZMFVDF-OKJYPTKPSA-N 479.022 6.699 50 10 JKGE C[C@H]1CN(Cc2ccc(Br)cc2Br)CC[C@@H]1CCBr 2115845348 XJPXQXJVDJRVNP-RYUDHWBXSA-N 454.044 5.455 50 10 JKGE COc1cc(Br)c([C@H](Br)c2cc(Br)cs2)cc1OC 2115923646 IHAJIEWVJXXUHI-ZDUSSCGKSA-N 471.008 5.775 50 10 JKGE Cc1csc(CBr)c1S(=O)(=O)N(Cc1ccccc1)CC1CCCCC1 2123243746 NTRHHOFKGZOZTJ-UHFFFAOYSA-N 456.471 5.723 50 10 JKGE Cc1c(C)c(C)c([C@H](Br)c2csc(Br)c2Br)c(C)c1C 2150342514 WTIGDDDOMDCCMR-CQSZACIVSA-N 481.091 7.300 50 10 JKGE Cc1cc(Br)sc1[C@@H](Br)c1ccc(Br)c(C(F)(F)F)c1 2156076217 SPKRTKSLNRYGDI-NSHDSACASA-N 492.980 7.085 50 10 JKGE O=C(c1scc(Br)c1Br)N1Cc2ccc(CBr)cc2C1 2167514274 XCKOVFISBFGZPR-UHFFFAOYSA-N 480.019 5.324 50 10 JKGE CN(c1cc(Br)cc(F)c1CCl)C1C[C@@H]2CC[C@H](C1)N2Cc1ccccc1 2170696679 IEYJOZQZBSKAQQ-DFNIBXOVSA-N 451.811 5.959 50 10 JKGE CC(C)(C)OC(=O)Nc1cccc([S@@](C)(=O)=NCc2ccc(CBr)cc2)c1 2182844712 HNPWMQRKTSBACN-HHHXNRCGSA-N 453.402 5.585 50 10 JKGE Brc1cccc([C@@H](CI)O[C@H]2COC3(CCCC3)C2)c1 2189461975 LZIRXGNOWRDMOO-HUUCEWRRSA-N 451.142 5.044 50 10 JKGE Cc1c(Br)csc1C(=O)N(Cc1ccccc1)[C@@H](CBr)C(C)C 2210635161 FZXPHGYLSBPMCS-INIZCTEOSA-N 459.247 5.881 50 10 JKGE CC(C)(C)OC(=O)NC[C@](C)(CI)OCc1ccc(Cl)cc1Cl 2212517081 WFRUVLOQTVKTTN-INIZCTEOSA-N 474.166 5.228 50 10 JKGE Cc1sc([C@H](Br)c2sc(Cl)cc2Br)c(C)c1Br 2213745392 VAADXUCANOUNSE-VIFPVBQESA-N 479.484 7.089 50 10 JKGE Cc1sc([C@H](Br)Cc2ccncc2Br)c(C)c1Br 2218967328 DFXNBWJNELOIRA-SNVBAGLBSA-N 454.025 5.964 50 10 JKGE Cc1cc(Br)c([C@@H](Br)c2cc(C)c(Br)cc2C)s1 2221838826 UIGDGKHFGCBAMW-ZDUSSCGKSA-N 453.037 6.683 50 10 JKGE C[C@]1([C@H](Br)c2c(Br)cc(Cl)c(Cl)c2Cl)COCCO1 2224313815 VPOSXOSXESLRGU-VXGBXAGGSA-N 453.385 5.651 50 10 JKGE C[C@@H](Cl)c1nc2cc(Br)c(Br)cc2n1C1CC(OCc2ccccc2)C1 2225693043 DZUGRRIUQZZKBK-LRVUVFPRSA-N 498.646 6.781 50 10 JKGE Cc1cc(C)c([C@H](Br)c2c(Br)cc(Cl)c(Cl)c2Cl)s1 2225912818 GYLNMQNQEXOPRI-SNVBAGLBSA-N 463.449 7.572 50 10 JKGE Cc1c([C@H](Br)Cc2ccc(Br)cc2Cl)c(Br)nn1C 2229141885 AEUCQHPEWADPAY-SNVBAGLBSA-N 471.418 5.586 50 10 JKGE C[C@@H]1CC[C@H](C(C)(C)c2sc(Br)c(Br)c2Br)[C@H](Cl)C1 2230044674 SHWREWYTYQGCCQ-HRDYMLBCSA-N 493.530 7.357 50 10 JKGE Cc1cc(C)c([C@H](Br)c2sc(C)c(Br)c2C)c(C)c1Br 2234467885 DFERLGVTEPEAOH-HNNXBMFYSA-N 481.091 7.300 50 10 JKGE Cc1cc(Br)c([C@@H](Br)[C@@H]2Cc3ccccc32)c(C)c1Br 2235597926 FPDMHPZOOGCCEP-DYVFJYSZSA-N 459.019 6.604 50 10 JKGE Cc1cc(Br)c([C@H](Br)[C@@H]2C[C@@H]3CC[C@H](C2)O3)c(C)c1Br 2235608776 LSTCPSNGMQELHF-AZKPJATDSA-N 467.039 6.222 50 10 JKGE Clc1cc([C@@H](Br)c2ccc(Cl)c(I)c2)c(Cl)s1 2248215014 SUFPBKJIKAVLIV-JTQLQIEISA-N 482.395 6.797 50 10 JKGE Clc1cccc([C@H](Br)c2c(Cl)sc(Cl)c2Cl)c1Br 2256135655 GFWZPWFBUGNDQW-QMMMGPOBSA-N 469.840 7.609 50 10 JKGE COc1sccc1[C@H](Br)Cc1cc(Br)cc(Br)c1 2263509684 KHAOYXJBGXEVDK-GFCCVEGCSA-N 455.009 5.960 50 10 JKGE Cc1cc(Cl)c(Cl)cc1[C@@H](Br)c1ccc(Cl)c(I)c1 2268270619 RXILIDJXCNUAFO-AWEZNQCLSA-N 490.393 7.044 50 10 JKGE COc1ccc([C@H](Br)c2ccc(Br)c(C)c2)cc1I 2269551803 ARMBNKBNWWPXII-OAHLLOKOSA-N 495.980 5.855 50 10 JKGE Fc1cc(Br)c(F)c(Br)c1[C@H](Br)[C@@H]1C2C[C@@H]3C1[C@@H]3C2 2272748353 UZOWMMGMHSMECR-UZUCMYSTSA-N 456.950 5.828 50 10 JKGE Fc1cc(Br)c(F)c(Br)c1[C@H](Br)[C@H]1[C@H]2C[C@@H]3[C@H]1[C@@H]3C2 2272848330 UZOWMMGMHSMECR-FBSQSGQNSA-N 456.950 5.828 50 10 JKGE BrCc1cc(Br)c(OC[C@]23CCC[C@@H]2CC3)c(Br)c1 2273502675 VLQDBJVNBMRVBL-IAQYHMDHSA-N 453.012 6.066 50 10 JKGE COc1ccc([C@@H](Cl)Cc2ccc(Br)cc2Cl)cc1I 2285009481 MUFYSBACRUWTTE-LBPRGKRZSA-N 485.974 6.238 50 10 JKGE C[C@@H](NC(=O)C(C#N)=Cc1cn(Cc2cccc(C(F)(F)F)c2)c2ccccc12)c1ccccc1 2295672297 KJCKRSUBGNLGDM-LJQANCHMSA-N 473.498 6.493 50 10 JKGE CN(C(=O)c1csc(Br)c1Br)[C@H](CBr)c1ccccc1 2296312424 DQOYFPSCDHACHS-LLVKDONJSA-N 482.035 5.481 50 10 JKGE N#CC(C(=O)Nc1ccc(F)cc1)=C1S[C@H](Cc2ccc(F)cc2)C(=O)N1c1ccccc1 2296507116 UFRNXXFOKVJCJV-JOCHJYFZSA-N 461.493 5.030 50 10 JKGE CC(C=NNC(=O)CSc1nnc(-c2ccc(Cl)cc2)n1-c1ccc(C)cc1)=Cc1ccco1 2297458887 OTHORIOQVUKUKJ-UHFFFAOYSA-N 492.004 5.787 50 10 JKGE Cc1cccc(OCCCn2cc(C=C(C#N)C(=O)Nc3nc4ccccc4s3)c3ccccc32)c1 2297500329 BJYSBCGEIKRLHS-UHFFFAOYSA-N 492.604 6.574 50 10 JKGE CCOc1cc(C=C(C#N)C(=O)Nc2ccc(Cl)cc2[N+](=O)[O-])cc(Br)c1OCC 2297551329 AUIMWOFAERXIJI-UHFFFAOYSA-N 494.729 5.354 50 10 JKGE Cl[C@@H](Cc1ccc(Br)cc1)c1cc(Br)ccc1OCc1ccccc1 2314501771 AZFOGDKSELXDFC-FQEVSTJZSA-N 480.627 7.313 50 10 JKGE CC(C)C[C@H](C(C)C)[C@@H](Br)c1ccc(OCc2ccccc2)cc1Br 2314503983 YBVKZJUZZZBYAF-IRLDBZIGSA-N 468.273 7.782 50 10 JKGE CCCCCN1C(=O)C(=Cc2ccc(OCc3ccc(C)cc3)c(OC)c2)C(C)=C(C#N)C1=O 2314610220 FKYGHWIVVZNQQK-UHFFFAOYSA-N 458.558 5.365 50 10 JKGE CCOc1ccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)C=Cc4ccc(Cl)cc4)ccc32)cc1 2314640688 NHGUDVIRCLSSCO-AREMUKBSSA-N 472.928 5.576 50 10 JKGE CCC(F)(F)C[C@@H](Br)c1c(C)cc(Br)c(F)c1Br 2317396324 RCMKYSWSGTVZIS-MRVPVSSYSA-N 452.934 6.531 50 10 JKGE COc1ccccc1C(C#N)=Cc1ccc(OC(=O)CCCOc2ccc(Cl)cc2Cl)cc1 2320507204 DPSZXLCENHMQTB-UHFFFAOYSA-N 482.363 6.831 50 10 JKGE COc1ccc(Cl)cc1NC(=O)C(C#N)=CNc1cc(C(F)(F)F)cc(C(F)(F)F)c1 2324455898 QLRAVCDMKILHSJ-UHFFFAOYSA-N 463.765 5.844 50 10 JKGE C[C@H]1[C@H](Br)C[C@@H](C)CN1Cc1ccc(I)c(Br)c1 2325212953 QXZZNMJCLUUNAY-JFGNBEQYSA-N 487.017 5.048 50 10 JKGE COc1cccc(C=C(C#N)c2ccc(C(=O)OC(C)C)o2)c1OCc1cccc(Cl)c1 2331048898 GRZLEAMJTJPISS-UHFFFAOYSA-N 451.906 6.150 50 10 JKGE Cc1ccc(-c2csc(C(C#N)=C(O)c3cc(C(F)(F)F)cc(C(F)(F)F)c3)n2)cc1 2331312487 CBJOSKLREOEQAA-UHFFFAOYSA-N 454.395 7.106 50 10 JKGE CCCOc1ccc(-c2csc(C(C#N)=C(O)CNC(=O)c3ccc(Cl)cc3Cl)n2)cc1 2331316180 XWICHWIKYJBJSI-UHFFFAOYSA-N 488.396 6.128 50 10 JKGE COc1cc(OC)c(-c2csc(C(C#N)=C(O)C=Cc3ccc(Cl)cc3)n2)cc1Cl 2331378724 VIODHUIYKCUWOZ-UHFFFAOYSA-N 459.354 6.640 50 10 JKGE COc1ccc(C=CC(O)=C(C#N)c2nc(-c3ccc(OC)c(OC)c3OC)cs2)cc1 2331412713 ZRHAJRXJQWAVOI-UHFFFAOYSA-N 450.516 5.351 50 10 JKGE CCCCCCOc1ccc(C=C(C#N)c2nc(-c3ccc(OC)cc3OC)cs2)cc1OC 2331473356 PWADTFCXIWZVSY-UHFFFAOYSA-N 478.614 6.859 50 10 JKGE CCOc1ccc(C=C(C#N)c2nc(-c3ccc(OC)c(OC)c3OC)cs2)cc1OC 2331492704 ITSKHKXNHLRLDP-UHFFFAOYSA-N 452.532 5.307 50 10 JKGE Fc1cc(Br)c(F)c(Br)c1[C@@H](Br)[C@@H]1C[C@H]1C1CCC1 2334739678 MIHLMARQHKFHQB-SXMVTHIZSA-N 458.966 6.362 50 10 JKGE Fc1c(Br)cc(Cl)c([C@H](Br)[C@@H]2C[C@@H]3CCC[C@@H]32)c1Br 2337102073 BMFHKEYSFQIGRK-OUDXYJABSA-N 475.421 6.876 50 10 JKGE Cc1c(Br)ccc([C@@H](Cl)c2c(Br)nc(C)n2C)c1Br 2337283419 OOQXVYUZMVUTKU-LLVKDONJSA-N 471.418 5.653 50 10 JKGE COc1cccc(C[C@H](CBr)Cc2sccc2I)c1 2338730738 TXQLUCMAOINRSU-LBPRGKRZSA-N 451.167 5.158 50 10 JKGE CN(C[C@H](Br)COCc1ccccc1)C(=O)CCc1cc(Cl)cc(Cl)c1 2341172610 ZKNPJYJXXVQSBP-KRWDZBQOSA-N 459.211 5.365 50 10 JKGE C[C@@H](Br)CN(Cc1ccc(Cl)cc1I)C1CCCC1 2342950732 FVJCYCASMKGJQF-LLVKDONJSA-N 456.593 5.473 50 10 JKGE C[C@@H](C[C@H]1CCOC1)Oc1c(Br)cc(Br)cc1CBr 2353430233 JTLYFBSMIYYCGK-VHSXEESVSA-N 457.000 5.300 50 10 JKGE CC12C[C@@H]3C[C@H](C1)CC([C@H](Br)c1sc(Cl)cc1I)(C3)C2 2364121804 JLMKDVOJZDAENI-LBEWKSOZSA-N 485.656 7.049 50 10 JKGE COc1c(Br)cc(C)c([C@H](Br)[C@H]2CCC[C@H](F)C2)c1Br 2365191042 KSARFLNTBCILOK-OUJBWJOFSA-N 473.018 6.493 50 10 JKGE C[C@H]1C[C@H]2C[C@](COc3c(Br)cc(Br)cc3CBr)(C2)O1 2368519406 ADRWZWIDBNJQCT-AMJWSMQMSA-N 469.011 5.443 50 10 JKGE CC(C)(C)[C@@H]1CC[C@H]1CO[C@@H](CI)c1ccc(Br)cc1 2369176016 PHAIQMXTAMWDTL-IMJJTQAJSA-N 451.186 6.014 50 10 JKGE FC1(CNCc2ccc(I)c(Br)c2)CCC(CCl)CC1 2377350030 KWEGFGKFEPJMSL-UHFFFAOYSA-N 474.583 5.281 50 10 JKGE N#C/C(=C/c1ccc(OC(=O)c2ccccc2)cc1)C(=O)Nc1ccc(Br)cc1F 867489 KMAGNHYGQMZZGY-ATVHPVEESA-N 465.278 5.353 50 10 JKGE ClCCN(CCCl)c1ccc(OCCCCNc2c3ccccc3nc3ccccc23)cc1 26828952 MKTIVVJZHNSTFA-UHFFFAOYSA-N 482.455 6.943 50 10 JKGE CCOc1ccc(NC(=O)/C(C#N)=C\c2cc(C)n(-c3ccc(Br)cc3)c2C)cc1 33351056 PPNGGACYGFUCPQ-RGEXLXHISA-N 464.363 5.801 50 10 JKGE N#C/C(=C/c1ccc(OCc2ccc(Cl)cc2)cc1)C(=O)Nc1cc(Cl)cc(Cl)c1 33406762 FBWQXBDRPMUVGA-MFOYZWKCSA-N 457.744 6.771 50 10 JKGE N#CC1=C(N)Oc2cc(OC(=O)c3ccccc3F)ccc2[C@@H]1c1ccc(Br)cc1 38651770 QINPPPVOUKIAKZ-NRFANRHFSA-N 465.278 5.026 50 10 JKGE N#CC1=C(N)Oc2cc(OC(=O)Cc3cccc4ccccc34)ccc2[C@H]1c1ccc([N+](=O)[O-])cc1 38654827 XRQXKNKIDQIRNF-HHHXNRCGSA-N 477.476 5.114 50 10 JKGE CCc1ccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4ccccc4Br)ccc32)cc1 38676842 BLCKKNUPGVZYFK-HSZRJFAPSA-N 475.342 5.449 50 10 JKGE Cc1ccc2c(C)c(C(=O)Oc3ccc4c(c3)OC(N)=C(C#N)[C@@H]4c3ccc([N+](=O)[O-])cc3)oc2c1 38688217 AEJINSHSFNZVST-XMMPIXPASA-N 481.464 5.395 50 10 JKGE Cc1ccc(C)c(NC(=O)/C(C#N)=C\c2c(Oc3ccc(C(C)(C)C)cc3)nc3ccccn3c2=O)c1 39858514 RINZXLQRHYEUEA-FXBPSFAMSA-N 492.579 5.947 50 10 JKGE COc1ccccc1C(=O)NNc1ncnc(Nc2ccc(/N=N/c3ccccc3)cc2)c1[N+](=O)[O-] 40645903 JGLMFUZTVAKDCI-ZQHSETAFSA-N 484.476 5.309 50 10 JKGE CCc1ccc(NC(=O)c2oc3c(c2C)/C(=N/NC(=O)c2cccc4ccccc24)CCC3)cc1 40813551 OWGRORTZQBKVKN-QFMPWRQOSA-N 465.553 6.026 50 10 JKGE O=C(CC[C@H](O)c1ccccc1)N/N=C\c1ccc(-c2ccc(Br)c(Cl)c2)o1 58891166 HMRJQQPSULNDQL-HTAGGTJDSA-N 461.743 5.326 50 10 JKGE O=C(CSc1c(Cl)c(Cl)c(Cl)c(Cl)c1Cl)N/N=C/c1ccc2ccccc2n1 59146487 WTLWJWXYUSQPOZ-HCBMXOAHSA-N 493.630 6.744 50 10 JKGE CCOc1ccc(-c2nn(-c3ccccc3)cc2/C=C2/C(=O)N([C@H](C)CC)C(=O)C(C#N)=C2C)cc1C 101334258 YOIXBLPEGKUGML-UVPCLOGWSA-N 494.595 5.637 50 10 JKGE Cc1cc(Cl)ccc1OCCn1cc(/C=C(/C#N)c2ccc([N+](=O)[O-])cc2)c2ccccc21 102466734 GZHWDDWBGSKRSD-HKWRFOASSA-N 457.917 6.655 50 10 JKGE CCCCOC(=O)c1c(NC(=O)/C(C#N)=C\c2ccc([N+](=O)[O-])cc2)sc2c1CCCC2 102957818 ZHJQLHDICFUEMG-SSZFMOIBSA-N 453.520 5.038 50 10 JKGE N#C/C(=C/Nc1ccc([N+](=O)[O-])cc1)c1nc(-c2cc3c(ccc4ccccc43)oc2=O)cs1 104336025 DGQUIZCKFIKHIN-SSZFMOIBSA-N 466.478 5.954 50 10 JKGE Brc1ccc(Br)c([C@@H](Br)c2ccc3c(c2)OCCO3)c1 109844743 KHIAGGDHTXTKKE-HNNXBMFYSA-N 462.963 5.467 50 10 JKGE CCOc1cc(Br)c([C@H](Br)c2sccc2Cl)cc1OCC 159111254 PZLSDYUNIKKUTR-AWEZNQCLSA-N 454.611 6.446 50 10 JKGE Cc1cc(Br)c([C@H](Cl)c2c(F)cccc2Br)cc1Br 161224053 WAPYQVFJSXBLFO-AWEZNQCLSA-N 471.389 6.750 50 10 JKGE Cc1cc(Br)ccc1[C@H](Br)c1cc(Br)c(Cl)s1 227844641 IOLUDWUDIMBXIS-NSHDSACASA-N 459.428 6.719 50 10 JKGE BrCc1cc(Br)c(OCc2cn3ccsc3n2)c(Br)c1 232454804 QSPQVYAZLMBJAH-UHFFFAOYSA-N 481.007 5.395 50 10 JKGE CCOc1ccc(C=NNC(=O)c2ccc(CN3C(=O)c4cccc5cccc3c45)cc2)cc1OC 254459150 YPKLLCBQCQASJO-UHFFFAOYSA-N 479.536 5.171 50 10 JKGE C[C@H]1CCC[C@@H](C)N1C(=O)COc1ccc(C(=O)NN=Cc2ccc(Nc3ccccc3)cc2)cc1 254566958 PUTSRPYIQZNVCA-SZPZYZBQSA-N 484.600 5.362 50 10 JKGE Cc1ccc(OCC(=O)NN=Cc2ccc(OC(=O)c3cccc4ccccc34)cc2)cc1C 254743394 DGFPVZZUEZAYHS-UHFFFAOYSA-N 452.510 5.205 50 10 JKGE COc1ccc(-n2c(SCC(=O)NN=Cc3ccco3)nnc2-c2ccc(C(C)(C)C)cc2)cc1 263628396 PAFIDLKHRSNWEJ-UHFFFAOYSA-N 489.601 5.076 50 10 JKGE CC(C)(C)OC(=O)N1CCC[C@@](CI)(OCc2ccc(Cl)cc2)C1 303741921 VWCNDFZGTUWJHD-SFHVURJKSA-N 465.759 5.061 50 10 JKGE Clc1ccc(Br)c([C@H](Cl)c2cc(I)cc3c2OCC3)c1 383565890 LDMVFFMHICCUJV-AWEZNQCLSA-N 483.958 5.970 50 10 JKGE Cc1cc(Br)c([C@H](Cl)c2cc(Br)sc2Br)cc1Cl 384968988 KOZNTJYUSKENGF-NSHDSACASA-N 493.873 7.326 50 10 JKGE C[C@@H](Cl)c1nc2ccc(F)c(Br)c2n1[C@@]1(C)CCN(Cc2ccccc2)C1 689801523 WIUOZNZGUQELAK-SZNDQCEHSA-N 450.783 5.859 50 10 JKGE Clc1ccc(Br)c(CC(CBr)(CBr)C2CCOCC2)c1 696870716 ZHVHFCGQJORTNX-UHFFFAOYSA-N 489.473 5.848 50 10 JKGE FC(F)(F)c1cccc(Cl)c1[C@H](Br)c1cc(Br)c(Cl)s1 712579435 JDUQLHFKPUJQDX-SNVBAGLBSA-N 468.947 7.321 50 10 JKGE BrCc1cc(Br)c(OC[C@@H]2CC[C@@H](C3CC3)O2)c(Br)c1 715464584 BIOIUXMTYXQUAC-FZMZJTMJSA-N 469.011 5.443 50 10 JKGE Cc1ccc([C@@H](Br)c2ccccc2I)c(C)c1Br 719583933 RTAFFOHMJCWRPX-OAHLLOKOSA-N 479.981 6.155 50 10 JKGE COc1ccc(C(=O)NN=Cc2c(Br)c(C)n(-c3cc(C)ccc3C)c2C)cc1OC 725400733 CVSCUEMVBUODGU-UHFFFAOYSA-N 484.394 5.255 50 10 JKGE COc1cc(C=NNC(=O)Cc2ccc(Cl)cc2)ccc1OCc1cccc2ccccc12 725403450 XAJUTWHMPLJCHT-UHFFFAOYSA-N 458.945 5.774 50 10 JKGE Cc1cc(C=NNC(=O)c2ccc(CN3CCc4ccccc4C3)cc2)c(C)n1-c1ccccc1Cl 1084011113 CQWUALOFAKYOIV-UHFFFAOYSA-N 497.042 6.070 50 10 JKGE CCCN(CCC)c1ccc(C(=O)NN=C2C(=O)N(C/C=C\c3ccccc3)c3ccccc32)cc1 1084054290 UDPRBWZORCBAKY-ZQFDYELLSA-N 480.612 5.507 50 10 JKGE CCc1cc(Br)ccc1-c1ccc(/C=C(/C#N)C(=O)Nc2ccc(C)c(Cl)c2)o1 1084289744 PBSQVPRROLYAMM-WJDWOHSUSA-N 469.766 6.779 50 10 JKGE Cc1ccc(-c2ccccc2)n1-c1ccc(C(=O)NN=Cc2ccc(I)o2)cc1 1084527943 WHIVGSLXFDDMIR-UHFFFAOYSA-N 495.320 5.414 50 10 JKGE O=C(OCc1ccccc1)N1C[C@@H](CI)[C@H](c2ccccc2C(F)(F)F)C1 1614702641 KKLZHXIJPIPEIW-NVXWUHKLSA-N 489.275 5.493 50 10 JKGE COc1ccccc1/C(C#N)=C/c1cccc(OC(=O)[C@H](C)Oc2ccc(Cl)cc2Cl)c1 1615067276 WWNYRKITKCASKY-IQFISFIMSA-N 468.336 6.439 50 10 JKGE CCc1ccc(OC(=O)c2oc3c(c2C)C(=NNC(=O)c2ccccc2Cl)CCC3)cc1 1772744577 XBTDBTZFROYVLV-UHFFFAOYSA-N 450.922 5.493 50 10 JKGE CC[C@@H](C)NC(=O)c1oc2c(c1C)C(=NNC(=O)C(c1ccccc1)c1ccccc1)CCC2 1772747465 CBAALMFDWZOVBU-GOSISDBHSA-N 457.574 5.105 50 10 JKGE Cc1ccc(NC(=O)c2oc3c(c2C)C(=NNC(=O)c2ccc(-c4ccccc4)cc2)CCC3)nc1 1772748046 UZHHHDHJJCIOEO-UHFFFAOYSA-N 478.552 5.681 50 10 JKGE COc1ccc2ccccc2c1C=NNC(=O)COc1ccc(Br)cc1C(C)C 1772755899 UONJGOUKIGVZLL-UHFFFAOYSA-N 455.352 5.263 50 10 JKGE Cc1cc(OCC(=O)NN=Cc2ccc(Br)cc2)c(Br)c(C)c1Cl 1772756513 HVYDFBJTSPSLEZ-UHFFFAOYSA-N 474.580 5.011 50 10 JKGE CCCc1nn(-c2ccc(OC)cc2)c2c1[C@@H](c1c(OC)ccc3ccccc13)C(C#N)=C(N)O2 1865687928 DGLZDWUBTOJGKA-RUZDIDTESA-N 466.541 5.213 50 10 JKGE COc1ccc2ccccc2c1[C@@H]1C(C#N)=C(N)Oc2c1c(-c1ccccc1)nn2Cc1ccccc1 1865688033 HAPMOICNLNDXMW-MHZLTWQESA-N 484.559 5.978 50 10 JKGE CCc1nn(Cc2cccc(F)c2)c2c1[C@@H](c1ccc(OCc3ccc(C)cc3)cc1)C(C#N)=C(N)O2 1865692654 HIAXLAYEYARXCG-MHZLTWQESA-N 494.570 5.739 50 10 JKGE CCOc1ccc([C@H]2C(C#N)=C(N)Oc3c2c(-c2ccccc2)nn3-c2cccc(Cl)c2)cc1OC 1865696069 XCQYXHRPJSXAAX-DEOSSOPVSA-N 498.970 5.818 50 10 JKGE COc1ccc(-c2nn(Cc3cccc(F)c3)c3c2[C@@H](c2cccs2)C(C#N)=C(N)O3)cc1 1865698145 LMMPOJDVLRARFP-OAQYLSRUSA-N 458.518 5.026 50 10 JKGE CCCn1nc(C)c2c1OC(N)=C(C#N)[C@H]2c1ccc(OCc2ccc(Cl)cc2Cl)c(OC)c1 1865703826 GMMUYVSBXNOMAB-HSZRJFAPSA-N 499.398 5.714 50 10 JKGE Cc1nn(Cc2cccc(Cl)c2)c2c1[C@H](c1ccc(OC(=O)c3ccccc3)cc1)C(C#N)=C(N)O2 1865704928 IJULAGVWAGGUCK-RUZDIDTESA-N 496.954 5.331 50 10 JKGE CCCc1nn(-c2cccc3ccccc23)c2c1[C@@H](c1cccc([N+](=O)[O-])c1)C(C#N)=C(N)O2 1865706419 WGSPFZMYTMWBKW-QHCPKHFHSA-N 451.486 5.104 50 10 JKGE CCCc1nn(Cc2ccc(Cl)c(Cl)c2)c2c1[C@@H](c1ccccc1O)C(C#N)=C(N)O2 1865708268 RZUZXZNLZTYANO-FQEVSTJZSA-N 455.345 5.114 50 10 JKGE CCc1ccc([C@H]2C(C#N)=C(N)Oc3c2c(-c2ccccc2)nn3-c2cccc(Cl)c2)cc1 1865709279 SSLVOLIYBYDVNN-QHCPKHFHSA-N 452.945 5.973 50 10 JKGE N#CC1=C(N)Oc2c(c(-c3ccccc3)nn2Cc2ccc(Cl)cc2)[C@@H]1c1ccccc1[N+](=O)[O-] 1865709408 BPPSEYPUASMJTH-JOCHJYFZSA-N 483.915 5.378 50 10 JKGE COc1ccc([C@H]2C(C#N)=C(N)Oc3c2c(-c2ccccc2)nn3-c2ccc(Cl)cc2)cc1 1865713341 WVEPIHOXBCFNOJ-QFIPXVFZSA-N 454.917 5.419 50 10 JKGE CCCOc1ccc(-c2csc(NC(=O)/C(C#N)=C/c3ccc(OC)cc3)c2C(=O)OCC)cc1 1866126944 ZBTBLOVBWAVAPI-HMMYKYKNSA-N 490.581 5.935 50 10 JKGE C[C@@H](NC(=O)C[C@H](c1ccc(F)cc1)c1cccc(F)c1)C(=O)Nc1ccc(SC#N)cc1 1866773629 VQFMOWLKPCLPII-WAIKUNEKSA-N 465.525 5.203 50 10 JKGE CCOc1ccc(CC/C(O)=C(\C#N)c2nc(-c3ccc(Br)cc3)cs2)cc1OC 1872746532 MGSCQZDBEFLCKK-ZZEZOPTASA-N 485.403 6.405 50 10 JKGE COc1c(C)cc(C)cc1-c1csc(/C(C#N)=C(O)/C=C/c2ccc(Cl)cc2Cl)n1 1872754743 GVKKVVIRUHKKTL-GTCCBDGYSA-N 457.382 7.248 50 10 JKGE Cc1ccc(C(C)(C)C)cc1-c1csc(/C(C#N)=C(\O)CN2C(=O)COc3ccc(Cl)cc32)n1 1872755884 KQZBLYWEQPUQOL-QOCHGBHMSA-N 494.016 6.288 50 10 JKGE COc1ccc(-c2csc(/C(C#N)=C(\O)COc3ccc(Cl)cc3Cl)n2)c(OC)c1OC 1872759600 TZVWBEFZKHBHOI-VKAVYKQESA-N 493.368 6.014 50 10 JKGE CCOc1cc(/C=C(\C#N)c2nc(-c3ccccc3Cl)cs2)ccc1OCc1ccc(C)cc1 1872781089 USOBELFKTGMPBP-HYARGMPZSA-N 487.024 7.814 50 10 JKGE CCCCCOc1ccc(/C=C(\C#N)c2nc(-c3ccc(OCCC)cc3)cs2)cc1OCC 1872790759 CXDUTCQGRCZSRR-HAVVHWLPSA-N 476.642 7.631 50 10 JKGE CCCOc1ccc(/C=C(\C#N)c2nc(-c3ccc(OC)cc3OC)cs2)cc1OCC 1872793515 DGBVXPWFFMAUBA-LDADJPATSA-N 450.560 6.079 50 10 JKGE Cl[C@H](c1c(Br)sc(Br)c1Br)[C@@]12CCOC[C@@H]1C2 1909851860 GQLWQEMVIMAERO-UHQICPFZSA-N 465.432 5.742 50 10 JKGE Cc1c(Br)sc([C@H](Br)[C@@H]2CCC[C@H]3CCCC[C@H]32)c1Br 1922921742 UIOBUQVFCXOXQS-HKUMRIAESA-N 485.123 7.624 50 10 JKGE Fc1cc(Br)ccc1[C@@H](Cl)c1sc(Br)cc1Br 1922943719 WPHVXSRPKCCASP-SNVBAGLBSA-N 463.391 6.503 50 10 JKGE Cc1oc(C)c([C@@H](Br)c2c(Br)sc(Br)c2Cl)c1C 1923040776 WROBJHGRKUNWDO-SECBINFHSA-N 477.443 6.929 50 10 JKGE F[C@@H]1CC[C@@H]([C@@H](Br)c2c(Br)sc(Br)c2Cl)C1 1923070557 CFRZAZMSDIZLNN-WYDQCIBASA-N 455.412 6.501 50 10 JKGE C[C@@H](c1ccncc1Br)[C@@H](Cl)c1cc(Cl)ccc1I 1924042811 DTATWEUXUGLJJW-RMLUDKJBSA-N 470.963 6.186 50 10 JKGE C[C@@H]1OCCO[C@@H]1[C@H](Cl)c1c(Br)sc(Br)c1Br 1924615363 ZSQQAXHPZVWMLO-NETWJXFUSA-N 469.420 5.119 50 10 JKGE Brc1cccnc1C[C@H](Br)c1cccc(Br)c1Br 1924875137 GRHSBGYEUUIVQX-NSHDSACASA-N 498.838 6.048 50 10 JKGE Clc1sc(Cl)c([C@H](Br)c2ccc(I)cc2)c1Cl 1925569420 UAUWJHNDHIVQMH-MRVPVSSYSA-N 482.395 6.797 50 10 JKGE Clc1sc(Br)c(Cl)c1[C@@H](Br)c1cccc2ccsc12 1925593630 JMADUJIFVJEGLM-VIFPVBQESA-N 457.039 7.516 50 10 JKGE Cc1cc(Cl)c([C@@H](Br)c2csc(I)c2)cc1Cl 2023203432 YJDXBTZVEDNGOP-LBPRGKRZSA-N 461.977 6.452 50 10 JKGE CC(C)Cc1ccc([C@@H](Br)c2scc(Br)c2Br)s1 2027130269 FKLAYSNTOBJUQI-GFCCVEGCSA-N 473.093 7.017 50 10 JKGE Cc1cc([C@H](Br)c2cc(Cl)c(Br)cc2F)c(Br)s1 2039501735 AXEFWIDCQBDWBB-LLVKDONJSA-N 477.418 6.858 50 10 JKGE FC1(F)CCCCC[C@@H]1[C@@H](Br)c1cc(Br)c(Br)s1 2046372479 CRPUMJGJOZSNFQ-GMSGAONNSA-N 467.011 6.925 50 10 JKGE CC[C@H]1CN(c2cc(C)cc(Br)c2CBr)CCN1Cc1ccccc1 2053213977 SGGBHNIVCVKRME-SFHVURJKSA-N 466.261 5.753 50 10 JKGE C[C@]1([C@@H](Br)c2sc(Br)cc2Br)CCCC(F)(F)C1 2068381749 UPSVMHAUANVQCD-QWRGUYRKSA-N 467.011 6.925 50 10 JKGE C[C@@]1([C@H](Br)c2cc(Br)sc2Br)CCCC(F)(F)C1 2068383536 IPGVHBSRDMPNGP-MWLCHTKSSA-N 467.011 6.925 50 10 JKGE Cc1c(Br)sc([C@@H](Br)[C@H]2CC23CC(F)(F)C3)c1Br 2069067066 BBADWABOSLOSPV-SVRRBLITSA-N 464.995 6.453 50 10 JKGE Clc1ccc(C[C@@H](Br)c2ccc(Br)cc2)c(Br)c1 2077803004 OZXABASARLENQJ-CYBMUJFWSA-N 453.399 6.544 50 10 JKGE BrCC[C@@H]1CCCN(Cc2cccc(Br)c2Br)CC1 2093316485 ALNCDNIPVAWJPJ-LBPRGKRZSA-N 454.044 5.599 50 10 JKGE Cc1cc(Br)c([C@@H](Br)C[C@@H]2CCC23CCC3)cc1Br 2110459120 RZOIFZRNWZWCDU-NHYWBVRUSA-N 451.040 6.926 50 10 JKGE CCc1nc([C@@H](Br)[C@H](C)c2ccncc2Br)c(Br)s1 2113187386 MDYPKBPFKOUPTL-HQJQHLMTSA-N 469.040 5.865 50 10 JKGE C[C@@H]1CN(Cc2ccccc2)C[C@@H](C)N(c2cc(Br)cc(F)c2CBr)C1 2114268356 XNBHMBHCPCJELF-HZPDHXFCSA-N 484.251 5.830 50 10 JKGE C[C@@H]1Cc2cc([C@H](Br)c3cc(Br)cs3)cc(Br)c2O1 2115939502 FAJWWAUSEWKHIT-UHLUBPPHSA-N 467.020 6.081 50 10 JKGE CC1(C)C[C@@H](CBr)CN(Cc2cc(Br)ccc2Br)C1 2118520864 YQCMCIAASOJMSK-NSHDSACASA-N 454.044 5.455 50 10 JKGE CC(C)(C)OC(=O)NCCSSCCNc1ccc(C(F)(F)F)cc1Br 2125302298 QPYDJLKZGBQPPS-UHFFFAOYSA-N 475.396 5.786 50 10 JKGE COCc1cccc([C@@H](Br)c2sc(Br)c(C)c2Br)c1 2134744872 BLHPFGRRKVAOOU-GFCCVEGCSA-N 469.036 6.212 50 10 JKGE CC[C@@H](CC(C)C)[C@@H](Br)c1c(C)c(Br)cc(C)c1Br 2136383441 GNIIFNMCQYLXRI-BLLLJJGKSA-N 455.072 7.337 50 10 JKGE COc1c(Br)cc(C)cc1[C@@H](Br)c1ccc(OCc2ccccc2)cc1 2139004898 AEMBTCJVTLBHJG-NRFANRHFSA-N 476.208 6.829 50 10 JKGE COc1c(C)cc(Br)cc1[C@@H](Br)c1cc(C)c(Br)s1 2141663227 ZINYHPQTXFKIPI-GFCCVEGCSA-N 469.036 6.383 50 10 JKGE O=[N+]([O-])c1sc(CBr)cc1N1CCC[C@@H]1[C@H]1CCN(Cc2ccccc2)C1 2145257547 WJYGXDUUAVPSBQ-FUHWJXTLSA-N 450.402 5.042 50 10 JKGE O=C(NC1(CBr)CC2(CCC2)C1)c1cc(Br)ccc1Br 2163541047 CQUVTYZKVUKKHF-UHFFFAOYSA-N 466.011 5.039 50 10 JKGE CCn1cc(Br)c([C@@H](Br)c2cc(C)c(Br)cc2OC)n1 2181186379 PFMUPLHWYHHOPU-ZDUSSCGKSA-N 466.999 5.229 50 10 JKGE O=C(NCC1(CBr)CC2(CCC2)C1)c1cc(Br)sc1Br 2182753995 DLKSKJVIVSQAIV-UHFFFAOYSA-N 486.067 5.348 50 10 JKGE COc1cc(C)c([C@H](Cl)c2ccc(I)c(Cl)c2)cc1Br 2198732379 INZARBBXJLWUHI-OAHLLOKOSA-N 485.974 6.352 50 10 JKGE Cc1cc(Br)c(C)c([C@H](Br)[C@H]2C(F)(F)C23CCC3)c1Br 2201067376 KMCQEBPTMQZGDN-QWHCGFSZSA-N 472.993 6.700 50 10 JKGE Clc1cc(C[C@@]2(CBr)CCCCC23CCC3)ccc1I 2208033848 RYQZNMXNMVXFGD-QGZVFWFLSA-N 467.616 6.613 50 10 JKGE CC[C@@H](Br)CN(Cc1ccccc1)C(=O)c1ccc(C)c(I)c1 2210200081 MICRJBLPGRRFBW-QGZVFWFLSA-N 486.191 5.416 50 10 JKGE BrCc1cccc(Br)c1OC[C@@H]1CC1(Br)Br 2210245239 LDLYQNZFZQOCIL-QMMMGPOBSA-N 477.816 5.229 50 10 JKGE Cn1ncc(Br)c1[C@H](Br)Cc1ccc(Br)cc1Cl 2221705211 YRTNABMJAJSXRN-SECBINFHSA-N 457.391 5.277 50 10 JKGE Fc1cc(Br)c(Br)cc1[C@H](Br)[C@@H]1C[C@@H]1C1CCCC1 2225618503 XWINVLXRHMLWQV-IQMDTDKHSA-N 455.003 6.613 50 10 JKGE Cc1csc([C@H](Br)c2c(F)cc(F)c(Br)c2F)c1Br 2227803225 LPARXMKEZIHUGY-SNVBAGLBSA-N 478.953 6.483 50 10 JKGE CCC12COC([C@H](Br)c3c(Br)cc(Cl)c(Cl)c3Cl)(C1)C2 2232520539 OZJMXSIIDMLANX-IYXRBSQSSA-N 463.424 6.805 50 10 JKGE FC(F)(F)Oc1ccc(Cl)cc1[C@H](Br)c1cscc1OCc1ccccc1 2239624295 JNILZOIHRJGMAT-SFHVURJKSA-N 477.729 7.363 50 10 JKGE Clc1c(Br)sc(Br)c1[C@@H](Br)C[C@@H]1CCCC12CC2 2255252483 AMOJRSVBYGDVQA-YUMQZZPRSA-N 477.487 7.333 50 10 JKGE CCN(C[C@](C)(CBr)OCc1ccc(Br)cc1F)C(=O)OC(C)(C)C 2255270360 QGPFKAGKSLCIRZ-SFHVURJKSA-N 483.216 5.515 50 10 JKGE Cc1ccsc1[C@H](Br)c1c(F)cc(Br)c(F)c1Br 2260000205 YDZPWZZPRNJSPH-SNVBAGLBSA-N 460.963 6.344 50 10 JKGE CC(C)c1cc(Br)cc(C(=O)N(Cc2ccccc2)[C@@H](CBr)C2CC2)c1 2265981893 AQTDLBVQXXMFQL-NRFANRHFSA-N 479.256 6.388 50 10 JKGE Cc1csc([C@@H](Br)c2c(F)cc(Br)c(F)c2Br)c1Cl 2272850753 YQPQHPODNNOHDV-VIFPVBQESA-N 495.408 6.997 50 10 JKGE Clc1cc([C@H](Cl)Cc2cc(Br)cc(Br)c2)ccc1Br 2277957769 WUCVVULYNPVCPX-CYBMUJFWSA-N 487.844 7.150 50 10 JKGE CN(CCN(CCCCCCCCCCC(=O)NN)Cc1ccccc1)Cc1ccccc1 2278802579 AEIYXZGYZTWNDW-UHFFFAOYSA-N 452.687 5.121 50 10 JKGE Fc1cccc([C@H](CI)OCc2cc(Br)ccc2Cl)c1 2295175705 RBDIISYMJXRMMY-HNNXBMFYSA-N 469.519 5.935 50 10 JKGE Cc1ccc(NC=C(C#N)c2nc(-c3cccc(Br)c3)cs2)c(Br)c1 2295948595 SJWHKTXMBCYEQO-UHFFFAOYSA-N 475.209 6.620 50 10 JKGE COc1cc(C=C(C#N)c2nc3ccccc3[nH]2)cc(Cl)c1OCc1ccc(Cl)cc1 2297373144 UOKSCNSXMKPIHN-UHFFFAOYSA-N 450.325 6.521 50 10 JKGE FC(F)[C@@H]1CCc2c(Br)cc(OCc3ccccc3)cc2[C@H](Br)C1 2299526516 YMAAJIUREWMXEN-CXAGYDPISA-N 460.156 6.682 50 10 JKGE Cc1ccc(NC(=O)C(C#N)=Cc2cc(Cl)ccc2OS(=O)(=O)c2ccc(C)cc2)cc1 2313541094 RHDMGNPELCQOSL-UHFFFAOYSA-N 466.946 5.270 50 10 JKGE Cc1ccc(NC(=O)C(C#N)=Cc2cc(Cl)c(OCc3cccc(C)c3)c(Cl)c2)cc1 2313568920 YZPAZJQBLRACPI-UHFFFAOYSA-N 451.353 6.735 50 10 JKGE Fc1cccc(Cl)c1[C@H](Br)c1ccc(OCc2ccccc2)cc1Br 2314439868 KTJCNIUBTQOPRG-HXUWFJFHSA-N 484.590 7.305 50 10 JKGE CCc1ccccc1[C@H](Br)c1cc(Br)ccc1OCc1ccccc1 2314450166 WRHMHRMNCSKMDY-QFIPXVFZSA-N 460.209 7.075 50 10 JKGE Brc1ccc(OCc2ccccc2)c([C@H](Br)C[C@@H]2CCC[C@@H]3C[C@@H]23)c1 2314493387 ZQTIJQPBGOGIAP-SHJAMOMRSA-N 464.241 7.290 50 10 JKGE COc1cc(C=NNC(=O)c2ccccc2Cl)ccc1OCc1ccc(C(C)(C)C)cc1 2318413502 IUCZNUAVEYMEFQ-UHFFFAOYSA-N 450.966 5.989 50 10 JKGE COc1cc(C=C(C#N)c2nc3ccc(C)cc3[nH]2)ccc1OCc1ccc(Br)cc1 2331018316 KWBTXNNECLQYJU-UHFFFAOYSA-N 474.358 6.286 50 10 JKGE CCOc1cc(C=C(C#N)n2cnc3ccccc32)ccc1OCc1ccc(Br)cc1 2331032878 VBNADYDQJHARTQ-UHFFFAOYSA-N 474.358 6.298 50 10 JKGE COc1ccc(-c2csc(C(C#N)=C(O)CCCOc3ccc(Cl)cc3)n2)cc1OC 2331242473 GDMXDWJOKDLHDR-UHFFFAOYSA-N 456.951 6.133 50 10 JKGE CC(C)c1ccccc1O[C@H](C)C(O)=C(C#N)c1nc(-c2ccc(Cl)cc2Cl)cs1 2331251561 YHXBSLNTTUTQFW-CQSZACIVSA-N 459.398 7.500 50 10 JKGE CCOc1ccc(C=C(C(O)=C(C#N)c2nc(-c3ccccc3Cl)cs2)c2ccccc2)cc1 2331267036 ZJCFVVXJIIBIIZ-UHFFFAOYSA-N 485.008 7.896 50 10 JKGE COc1ccc(Cl)cc1N1C[C@H](C(O)=C(C#N)c2nc(-c3ccc(Cl)cc3)cs2)CC1=O 2331299270 OSEYRCCEYQGLHH-CQSZACIVSA-N 486.380 5.971 50 10 JKGE COc1ccc(-c2csc(C(C#N)=C(O)COc3ccc(C)cc3C(C)(C)C)n2)c2ccccc12 2331406563 ZPCPVDCOGHUXLN-UHFFFAOYSA-N 484.621 7.450 50 10 JKGE COc1ccc(-c2csc(C(C#N)=Cc3ccc(OCc4ccc(Cl)cc4)cc3)n2)cc1 2331431291 LDZCYNWGPLRHTE-UHFFFAOYSA-N 458.970 7.115 50 10 JKGE COc1cc(C=C(C#N)c2nc(-c3ccc(F)cc3F)cs2)ccc1OCc1ccc(C)cc1 2331436339 PSCVGTGFPYVUFA-UHFFFAOYSA-N 474.532 7.049 50 10 JKGE CCCOc1c(Br)cc(C=C(C#N)c2nc(-c3c[nH]c4ccccc34)cs2)cc1OC 2331459938 DDTYNVILYSIRLO-UHFFFAOYSA-N 494.414 6.915 50 10 JKGE Cc1c([C@@H](Br)c2c(Cl)sc(Br)c2Cl)ccc(Cl)c1Cl 2339046601 SZQWSUGEQTVSJR-MRVPVSSYSA-N 483.867 7.917 50 10 JKGE COc1c(Br)cc(C)c([C@H](Br)[C@H]2CCC[C@@H]2C)c1Br 2339650096 BOOIOTDZGACBFI-GMOODISLSA-N 455.028 6.401 50 10 JKGE Cc1cnc(OCc2cc(I)ccc2Br)cc1CCl 2341553050 URAWJOBMROICGL-UHFFFAOYSA-N 452.517 5.075 50 10 JKGE ClC[C@H]1CCC2(CCC2)N1Cc1ccc(I)c(Br)c1 2349826013 FVHYVVSWRNELGU-GFCCVEGCSA-N 454.577 5.180 50 10 JKGE CCC1(CC)[C@H](Cl)C[C@H]1OCc1ccc(I)c(Br)c1 2350060774 ONIDKOJICAIWMW-ZIAGYGMSSA-N 457.577 5.756 50 10 JKGE Clc1ccc(CN2C[C@H](Br)CC23CCCCC3)cc1I 2362376095 QPSVNGHSLILMRU-CYBMUJFWSA-N 468.604 5.617 50 10 JKGE Cc1cc(Br)c([C@H](Br)[C@]23C[C@H](C[C@@H](C)O2)C3)c(C)c1Br 2368714441 UGBHOLNGSPEUCW-POBSAJCXSA-N 467.039 6.222 50 10 JKGE FC1(F)[C@H]2C[C@@H](CO[C@H](CI)c3cccc(Br)c3)C[C@H]21 2369979579 KBEXSYCIQXAARR-GJQVQUKXSA-N 457.096 5.233 50 10 JKGE Clc1ccc(I)cc1CN1C[C@@H]2C[C@H](CBr)C[C@@H](C2)C1 2380515282 ODVPRVSNJIKLSO-CLLJXQQHSA-N 468.604 5.188 50 10 JKGE CN(Cc1cc(I)ccc1Cl)[C@@H](CBr)c1ccccc1 2380515814 UTUUTLDKIOBRNI-INIZCTEOSA-N 464.572 5.513 50 10 JKGE COc1nc(COc2c(Br)cc(CBr)cc2Br)sc1C 2381357441 WWIYYVBRODHDTM-UHFFFAOYSA-N 486.023 5.459 50 10 JKGE CCN(CC)c1ccc(/C=C2\CCC(/C=C(/C#N)c3nc4ccccc4[nH]3)=C2N2CCOCC2)cc1 3268149 BCBWLIFFWGSDQY-TZZJZTKFSA-N 479.628 5.780 50 10 JKGE Cc1ccc(-c2n[nH]c3c2[C@@H](c2ccc(OCc4ccc(F)cc4)cc2)C(C#N)=C(N)O3)cc1 10013826 LCGJVVPNMSTNBE-QHCPKHFHSA-N 452.489 5.321 50 10 JKGE CC[C@H](C)c1ccccc1O[C@H](CC)C(=O)NNC(=O)c1ccc(NC(=O)C2CCCCC2)cc1 10683575 SCWHBBPFUGALGV-YADARESESA-N 479.621 5.338 50 10 JKGE CCOCCCN1C(=O)C(C#N)=C(C)/C(=C\c2ccc(-c3ccc(Cl)c(Cl)c3)o2)C1=O 38606549 JZQCHKWTLUNQAR-SFQUDFHCSA-N 459.329 5.272 50 10 JKGE CCCCCOc1ccc(/C=C2/C(=O)N(Cc3ccc(C)cc3)C(=O)C(C#N)=C2C)cc1OC 38608434 HUYBCHCZFQIKSM-HZHRSRAPSA-N 458.558 5.365 50 10 JKGE CCCOc1ccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4ccc(C(C)(C)C)cc4)ccc32)cc1 38650592 SSPFBJGUUOWAGU-MHZLTWQESA-N 482.580 6.210 50 10 JKGE CCCOc1cccc(C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@@H]3c2ccc(Cl)c(Cl)c2)c1 38655993 ZFYADRXQDAXZEJ-XMMPIXPASA-N 495.362 6.220 50 10 JKGE CCCOc1ccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)Cc4ccccc4)ccc32)cc1OCC 38683966 ZUHLEIULJMROFK-NDEPHWFRSA-N 484.552 5.240 50 10 JKGE CCOc1ccc(NC(=O)/C(C#N)=C\c2ccc(OCc3cccc(Cl)c3)c(OC)c2)cc1 59245284 LFWOWJVJNMFPAG-MOSHPQCFSA-N 462.933 5.872 50 10 JKGE CC(C)Cc1ccc([C@H](C)C(=O)NNC(=O)COc2ccc(C(C)C)cc2Br)cc1 66199340 IQFJPRMHRBNZNC-KRWDZBQOSA-N 475.427 5.101 50 10 JKGE Brc1cc([C@@H](Br)[C@@H]2COc3ccccc32)c(Br)s1 70391806 HRTVBETWUZOWLB-BXKDBHETSA-N 452.993 5.885 50 10 JKGE CCOc1ccc(N2C(=O)[C@H](Cc3ccccc3)S/C2=C(/C#N)C(=O)Nc2ccccc2)cc1 101244654 NWZPHIJJJMELBA-FYAMCCBRSA-N 469.566 5.150 50 10 JKGE N#C/C(=C/c1cn(Cc2ccccc2[N+](=O)[O-])c2ccccc12)C(=O)Nc1nc2ccccc2s1 102443695 WRXSJHACZASIEV-AQTBWJFISA-N 479.521 5.753 50 10 JKGE COc1ccc(/C=C2/CCC[C@@H]3C2=NN(C(=O)/C(C#N)=C\c2ccco2)[C@@H]3c2ccc(OC)cc2)cc1 103201021 DHWUBFOYUAUVOK-QENQFVNRSA-N 493.563 6.027 50 10 JKGE Fc1ccc([C@@H](Br)c2cc(Br)ccc2Br)c(Cl)c1 109844988 WRDFGSHTRBKIBB-CYBMUJFWSA-N 457.362 6.488 50 10 JKGE Cc1ccc(Br)cc1[C@H](Cl)c1cc(Br)sc1Br 114980402 VPOIPKMRMITHIS-NSHDSACASA-N 459.428 6.672 50 10 JKGE BrCC(CBr)(CC[C@@H]1CCCO1)c1ccccc1Br 118671976 SUDRUYQEQUSCDQ-LBPRGKRZSA-N 455.028 5.436 50 10 JKGE Cc1cc(Br)c([C@H](Br)c2cccc(S(C)(=O)=O)c2)cc1Br 128840108 UJENDZOUMKRPBT-OAHLLOKOSA-N 497.046 5.408 50 10 JKGE FC(F)(F)c1ccc(Br)c([C@@H](Cl)c2cc(Cl)c(Br)s2)c1 159846510 IGNHRXPUINIHIE-SNVBAGLBSA-N 468.947 7.274 50 10 JKGE N#C/C(=C\c1ccc(OC(=O)/C=C\c2ccccc2)cc1)c1nc(-c2ccc(F)cc2)cs1 210604368 KXIHIYPHIYFBLC-PLKSNVTCSA-N 452.510 6.632 50 10 JKGE CCCCCCN1C(=O)C(C#N)=C(C)/C(=C/c2ccc(OCc3ccccc3F)c(OCC)c2)C1=O 214247295 NJGHPQFTXOOIKA-KQWNVCNZSA-N 490.575 5.976 50 10 JKGE CC[C@H](C)N1C(=O)C(C#N)=C(C)/C(=C/c2cn(-c3ccccc3)nc2-c2cc3ccccc3o2)C1=O 214260957 KXIWHPAHSMIGBQ-PVFDWLMNSA-N 476.536 5.676 50 10 JKGE CCCOc1cccc(-c2nn(-c3ccccc3)cc2/C=C2\C(=O)N([C@@H](C)CC)C(=O)C(C#N)=C2C)c1 214261627 IWGJRVSCFHAHFO-WFSKJOQISA-N 494.595 5.719 50 10 JKGE Clc1cc(Br)ccc1[C@H](Br)c1cc(Br)c(Cl)s1 227849049 UQUOUGPWICEUHB-JTQLQIEISA-N 479.846 7.064 50 10 JKGE COc1c(Br)cc(Cl)cc1[C@H](Br)c1csc(Br)c1 234781080 SSADJQKJEYZQOH-LLVKDONJSA-N 475.427 6.419 50 10 JKGE COc1c(C)cc([C@H](Br)c2cc(Br)sc2Br)cc1C 234926189 MHDIQHYYMPUFEG-LBPRGKRZSA-N 469.036 6.383 50 10 JKGE Cc1cc(Br)c([C@@H](Cl)c2ccc(Cl)cc2Br)cc1Br 235814628 WAYJVYFLXCTVFU-AWEZNQCLSA-N 487.844 7.264 50 10 JKGE Cc1cc([C@H](Br)c2cc(Cl)ccc2I)c(Cl)cc1F 235859024 MIJODEXGSNBYCT-AWEZNQCLSA-N 473.938 6.530 50 10 JKGE FC(F)(F)COCC(CBr)(CBr)c1cccc(Br)c1 236129626 HMZKKMRCJLAFML-UHFFFAOYSA-N 468.933 5.056 50 10 JKGE COc1cc(C=NNC(=O)COc2ccc(C(C)(C)c3ccccc3)cc2)cc(Br)c1O 256017199 GCXFVLORTZHDMR-UHFFFAOYSA-N 497.389 5.018 50 10 JKGE CCN(C[C@](C)(CI)O[C@H]1C[C@H](C)CC(C)(C)C1)C(=O)OC(C)(C)C 305729292 HFHKRGXWIQRMCZ-FTRWYGJKSA-N 467.432 5.669 50 10 JKGE COc1ccc([C@@H](Br)c2cccc(OCc3ccccc3)c2)c(OC)c1Br 312777752 YMESLFPWEJAEEB-FQEVSTJZSA-N 492.207 6.530 50 10 JKGE C[C@H](COc1c(Br)cc(CBr)cc1Br)C1CCCCC1 380639850 MOEBJRDDZVRTHE-LLVKDONJSA-N 469.055 6.702 50 10 JKGE C[C@H](Cl)c1nc2cc(I)ccc2n1Cc1csc(Br)c1 397330819 PXKUMFJYNGMPJP-QMMMGPOBSA-N 481.584 5.813 50 10 JKGE CCCOc1ccc([C@H](Br)c2nscc2Br)cc1Br 404767641 HMPKAQISTMQOFF-LBPRGKRZSA-N 470.024 5.941 50 10 JKGE CN(C(=O)OC(C)(C)C)c1ccccc1[C@H]1COCCCN1CCO[Si](C)(C)C(C)(C)C 616646709 UUZFGUSADXIZIU-JOCHJYFZSA-N 464.723 5.843 50 10 JKGE COCc1cc(Br)c([C@H](Br)c2cc(F)cc(Br)c2)s1 688146340 OTGVDYJCVNAEIB-GFCCVEGCSA-N 472.999 6.043 50 10 JKGE CCc1ccc(CC)c([C@H](Br)c2scc(Br)c2Br)c1 705465297 LZMUEMRFYSYTFJ-ZDUSSCGKSA-N 467.064 6.882 50 10 JKGE Clc1cccc(C[C@@H](CBr)c2ccc(Br)cc2)c1Br 719419104 CTOXZQFSSOPYLX-LBPRGKRZSA-N 467.426 6.586 50 10 JKGE Clc1ccsc1[C@H](Br)c1ccc(I)c(Br)c1 721586092 IVPZWWGRFMKXMD-SNVBAGLBSA-N 492.401 6.253 50 10 JKGE O=C(COc1ccc2c(c1Br)CCCC2)NN=Cc1c2ccccc2cc2ccccc12 1084620999 JJSHCUJGSHSJGO-UHFFFAOYSA-N 487.397 6.163 50 10 JKGE COc1cc(/C=C(\C#N)C(=O)N(C)C)cc(Br)c1OCc1ccc(Cl)cc1Cl 1084648302 PUNBZIGKOBJNDB-MKMNVTDBSA-N 484.177 5.339 50 10 JKGE CCOc1cc(C=NNC(=O)[C@@H](C)Oc2ccc(Cl)cc2C)ccc1OC(=O)c1ccccc1 1772719599 CQUGSAHZOXOBQV-GOSISDBHSA-N 480.948 5.184 50 10 JKGE CC(C)(C)c1cc(O)cc(C(C)(C)C)c1SSc1c(C(C)(C)C)cc(O)cc1C(C)(C)C 1848439692 CMQMROYESLJHFA-UHFFFAOYSA-N 474.776 9.087 50 10 JKGE C[C@@H](Oc1cccnc1NC(=O)Nc1ccc(SC#N)cc1)C(=O)Nc1ccc(Cl)cc1 1858840773 VGAJZLDIRDGBDM-CQSZACIVSA-N 467.938 5.358 50 10 JKGE N#CC1=C(N)Oc2c(c(C(F)(F)F)nn2Cc2ccccc2F)[C@@H]1c1cccc(Br)c1 1865684535 RLXQYSCDCQHYCU-MRXNPFEDSA-N 493.258 5.070 50 10 JKGE CCCCCOc1ccc([C@H]2C(C#N)=C(N)Oc3c2c(CCC)nn3-c2ccc(C)cc2)cc1OC 1865694759 AXEJHDSVWSRXIP-SANMLTNESA-N 486.616 5.929 50 10 JKGE N#CC1=C(N)Oc2c(c(-c3ccccc3)nn2Cc2ccc(Cl)c(Cl)c2)[C@H]1c1ccccn1 1865700205 NCSNNZKQMGGAQX-OAQYLSRUSA-N 474.351 5.518 50 10 JKGE COc1ccc(-c2nn(Cc3ccc(F)cc3)c3c2[C@H](c2cccc(F)c2)C(C#N)=C(N)O3)cc1 1865710788 IIXCBGULLDJUEM-HSZRJFAPSA-N 470.479 5.103 50 10 JKGE CCc1nn(Cc2ccc(Cl)c(Cl)c2)c2c1[C@H](c1ccc(OC)cc1)C(C#N)=C(N)O2 1865712703 FZVGZNMDGJMUGU-HXUWFJFHSA-N 455.345 5.027 50 10 JKGE N#CSc1ccc(Nc2cc(N3CC[C@H](c4ccco4)C3)nc(Cc3ccccc3)n2)cc1 1868207380 LWWXYASVZMSFDH-FQEVSTJZSA-N 453.571 5.971 50 10 JKGE N#C/C(=C(/O)c1cccc(Oc2ccccc2)c1)c1nc(-c2ccc(Br)cc2)cs1 1872746553 NBMMMMNOTCQIEG-LNVKXUELSA-N 475.367 7.315 50 10 JKGE CCOc1ccc(-c2csc(/C(C#N)=C(\O)[C@H]3CC(=O)N([C@@H](C)c4ccccc4)C3)n2)cc1 1872747895 YGBIIAKTPUARBR-ZDVRTIDTSA-N 459.571 5.611 50 10 JKGE C=CCOc1ccccc1OC/C(O)=C(\C#N)c1nc(-c2cc(C)c(Cl)cc2OC)cs1 1872756787 AUMRTVLIPSSGLQ-JZJYNLBNSA-N 468.962 6.217 50 10 JKGE COc1cc(C)c(-c2csc(/C(C#N)=C(\O)c3ccc(N4CCCC4)c([N+](=O)[O-])c3)n2)cc1C 1872757995 GNSCAYPZDAXRFG-CLCOLTQESA-N 476.558 5.894 50 10 JKGE Cc1nsc(Br)c1[C@H](Br)c1cc(Br)cc2c1O[C@H](C)C2 1912934533 ZPWUNWLHUYGJPH-SREIQFSDSA-N 482.035 5.784 50 10 JKGE CC[C@H](Br)CN(Cc1ccccc1)C(=O)Cc1ccc(Br)cc1F 1915106245 NHRWPHIMAMWUEF-INIZCTEOSA-N 457.181 5.333 50 10 JKGE CC1(C)C[C@@H](N(Cc2ccccc2)c2ccc(CBr)cc2Br)CO1 1915483701 DLDIJRHREGDMJE-QGZVFWFLSA-N 453.218 5.918 50 10 JKGE Cc1cc([C@@H](Br)c2cc(Br)c3c(c2)C[C@H](C)O3)oc1Br 1917618852 ZFJISVOCLSEQGJ-SDBXPKJASA-N 464.979 5.921 50 10 JKGE Fc1ccc(C(F)(F)F)cc1[C@H](Br)c1sc(Br)cc1Br 1922891987 PEORBCUEYDESJE-JTQLQIEISA-N 496.943 6.915 50 10 JKGE Cc1csc([C@@H](Cl)c2c(Br)sc(Br)c2Cl)c1Cl 1923038766 KQXOFEZSCMPMMY-LURJTMIESA-N 455.451 7.278 50 10 JKGE Clc1c(Br)sc(Br)c1[C@H](Br)CC[C@@H]1CCCCO1 1923039722 QIWQPHVFWNGEHS-JGVFFNPUSA-N 481.475 6.712 50 10 JKGE Fc1cc([C@@H](Cl)c2c(Br)sc(Br)c2Cl)cc(F)c1F 1923065511 DEYAXFNAZVAWDU-SSDOTTSWSA-N 454.920 6.672 50 10 JKGE Clc1sc(Br)c(Cl)c1[C@H](Br)c1cccc(Br)c1 1925571894 WRKOYXMBBBVRIB-MRVPVSSYSA-N 479.846 7.064 50 10 JKGE Clc1cc(Br)c([C@@H](Br)c2ncsc2Br)s1 1933597574 PVWZPNMWBLUYBY-YFKPBYRVSA-N 452.418 5.867 50 10 JKGE Cc1cc(Br)sc1[C@@H](Br)c1ccc(Br)c(Cl)c1 1950206910 ALVGGCDBNZYGTN-NSHDSACASA-N 459.428 6.719 50 10 JKGE BrCc1ccc(N2CC3(CC(OCc4ccccc4)C3)C2)cc1Br 2000819205 ZVMCBELTXVCGRC-UHFFFAOYSA-N 451.202 5.530 50 10 JKGE Clc1c(Br)sc(Br)c1[C@H](Br)[C@H]1[C@H]2OCCC[C@@H]21 2007592561 KROWYEZKTNYUMR-ZODPUTJMSA-N 465.432 5.788 50 10 JKGE FC1(F)CCC([C@H](Br)c2cc(Br)c(Br)s2)CC1 2008372482 GGVMOKDRMMFKGU-VIFPVBQESA-N 452.984 6.535 50 10 JKGE Brc1cc([C@H](Br)[C@]23CCCC[C@H]2OCC3)c(Br)s1 2031752685 QPJXLNKCAXQTBJ-CDMKHQONSA-N 459.041 6.058 50 10 JKGE CCCCSC=C(NC(=O)c1ccccc1)[P+](c1ccccc1)(c1ccccc1)c1ccccc1 2043714063 XJJUYJBIIHFLLH-UHFFFAOYSA-O 496.636 6.743 50 10 JKGE C[C@H](CCCCCI)NC(=O)c1ccc(OCc2ccccc2)cc1 2054153905 GKHHZOKMSDGXFK-QGZVFWFLSA-N 451.348 5.379 50 10 JKGE Fc1cc(Br)cc(N2C[C@H]3C[C@@H](C2)N(Cc2ccccc2)C3)c1CBr 2067538503 PJCQFWVQDHYJGQ-RDJZCZTQSA-N 468.208 5.194 50 10 JKGE Cc1c(Br)sc([C@H](Br)C2(C(C)(C)C)CCC2)c1Br 2071923639 HDXLJDTWGMQLTC-NSHDSACASA-N 459.085 7.234 50 10 JKGE Fc1ccc(C(F)(F)F)cc1-n1nc(CBr)c(Br)c1C(F)(F)F 2079234075 MXBKZQBOJNNUQB-UHFFFAOYSA-N 469.980 5.706 50 10 JKGE Fc1cc(Cl)c([C@H](Br)c2ccc(I)cc2)cc1Cl 2083778205 OBDNXZCVLSMRPK-CYBMUJFWSA-N 459.911 6.221 50 10 JKGE COc1c(C)cc(Br)cc1[C@H](Cl)c1cc(I)sn1 2085636496 OFMORZWZIMWXGD-NSHDSACASA-N 458.546 5.155 50 10 JKGE CS(=O)(=O)c1sccc1[C@@H](Br)c1cc(Br)ccc1Br 2094150094 ZOTSVRIGHJGTJW-LLVKDONJSA-N 489.048 5.161 50 10 JKGE COc1ccc(Br)cc1[C@H](Br)c1cc(I)ccc1F 2113357986 MAFXXYHAIXLOFG-CQSZACIVSA-N 499.943 5.686 50 10 JKGE Cc1cccc([C@H](Br)Cc2cccc(Cl)c2F)c1I 2113464590 XVQNQGYEOGHYHF-GFCCVEGCSA-N 453.520 6.071 50 10 JKGE FC1(F)CCC[C@@H]2[C@H]([C@@H](Br)c3cc(Br)ccc3Br)[C@@H]21 2114396539 LJGBAUGTHIGDLI-NZBQSGDWSA-N 458.966 6.329 50 10 JKGE Cc1nn(C)c2sc([C@H](Br)c3sc(Br)cc3Br)cc12 2118616997 WTDPBTSFDIETHA-JTQLQIEISA-N 485.064 6.014 50 10 JKGE Clc1ccc(Br)c(CO[C@H]2CCCCCC[C@@H]2I)c1 2135982907 JFCPTBBUAXUFPA-GJZGRUSLSA-N 457.577 6.146 50 10 JKGE Cc1cc(Br)c(C)c([C@@H](Br)[C@@H]2CC(C)(C)CO2)c1Br 2136369477 DJESFKCQFXBGHB-FZMZJTMJSA-N 455.028 6.080 50 10 JKGE Cc1c(Br)ccc([C@H](Br)C2(C(C)(F)F)CCC2)c1Br 2138849322 IVYCFEJUHNLGLP-LBPRGKRZSA-N 460.982 6.782 50 10 JKGE CCn1ncc(Br)c1[C@H](Br)c1csc2c(Br)cccc12 2150669602 YTFZSPLOPUDPDC-GFCCVEGCSA-N 479.035 6.127 50 10 JKGE Cc1cc(Br)cc(CBr)c1OCc1nn(C)c(Cl)c1Br 2153000584 KVAQMPYMPKENIR-UHFFFAOYSA-N 487.417 5.381 50 10 JKGE Cc1csc([C@H](Br)c2cc3c(cc2Br)NC(=O)C3)c1Br 2157035297 IJMLKMIAXNDAEU-CYBMUJFWSA-N 480.019 5.560 50 10 JKGE Fc1cc2nc(CCl)n([C@H]3CCCN(Cc4ccccc4)CC3)c2cc1Br 2160560631 RNOGOVIHCFMJDM-INIZCTEOSA-N 450.783 5.904 50 10 JKGE COc1c(Cl)cc(Br)cc1[C@H](Cl)c1cc(I)ccc1F 2203010893 YMQBOEILSVENTC-CYBMUJFWSA-N 489.937 6.183 50 10 JKGE Cc1c(Br)ccc([C@H](Br)[C@@]23CCCC[C@@H]2OCC3)c1Br 2203691973 LEFJDFGTAROKJN-CWRNSKLLSA-N 467.039 6.305 50 10 JKGE COc1c(Cl)cc(Br)cc1[C@H](Cl)c1ccc(I)c(C)c1 2207111269 OHIDSHSZHGHNMK-CQSZACIVSA-N 485.974 6.352 50 10 JKGE Cc1cc(Br)c(C(=O)N(Cc2ccccc2)[C@H](CBr)C2CC2)s1 2211918241 RGHLCBJWCGAXCQ-MRXNPFEDSA-N 457.231 5.635 50 10 JKGE C[C@@H]1CC[C@H](C[C@H](Br)c2c(Br)cc(Cl)c(Cl)c2Cl)O1 2224301989 GVKICFJQYWTTLM-PRJMDXOYSA-N 451.413 6.803 50 10 JKGE Cc1cc(Br)c([C@@H](Cl)c2cnn(C)c2I)c(C)c1Cl 2224302423 LNECGUBMFHJDJC-LBPRGKRZSA-N 473.967 5.386 50 10 JKGE CSc1ccccc1[C@@H](Br)c1cc(Br)c(Br)cc1F 2225617710 QNYWCXPCNLYTKE-CQSZACIVSA-N 469.011 6.557 50 10 JKGE Cc1cc(Br)c([C@@H](Br)c2ccccc2F)c(C)c1Br 2227349351 RIRFZRWSRVGUBJ-HNNXBMFYSA-N 450.971 6.452 50 10 JKGE Cc1cc(Br)cc([C@H](Br)Cc2ccc(Br)cc2Cl)c1 2229148243 BYYWPEQRCZLULI-CQSZACIVSA-N 467.426 6.852 50 10 JKGE Clc1cc(Br)c([C@H](Br)[C@H]2CC23CCOCC3)c(Cl)c1Cl 2232518111 ZQTMKBCLXDFYJE-RDDDGLTNSA-N 463.424 6.662 50 10 JKGE Brc1cccc(Br)c1CN1CC[C@H]2[C@H](CCC[C@H]2Br)C1 2233851416 AIUHAQGXKLXQKN-MBNYWOFBSA-N 466.055 5.597 50 10 JKGE Cc1cc([C@H](Br)c2cc(C)c(Br)c(C)c2)c(C)cc1Br 2235676694 DTQRIJKFEOHPSC-QGZVFWFLSA-N 461.035 6.930 50 10 JKGE COc1cc(Br)c([C@@H](Br)c2ccc(Br)c(Cl)c2)cc1C 2236013173 VSDQIDDKGRKPHM-HNNXBMFYSA-N 483.425 6.666 50 10 JKGE Fc1cc(Br)c(F)c(Br)c1[C@@H](Cl)C1(Br)CCC1 2250746215 WQQINXNLMVPJPX-SNVBAGLBSA-N 453.346 6.087 50 10 JKGE COc1ccc([C@@H](Cl)c2c(C)nsc2Br)cc1I 2257353628 IGTUYMROCRQFFH-LLVKDONJSA-N 458.546 5.155 50 10 JKGE Brc1cc([C@H](Br)c2ccc(C3CCC3)s2)sc1Br 2259352153 QOYQHRCGTVLRHT-GFCCVEGCSA-N 471.077 7.086 50 10 JKGE Cc1cc(Br)c([C@@H](Br)c2ccccc2I)c(C)c1F 2264487842 NGCVRIMMQFBXBE-AWEZNQCLSA-N 497.971 6.294 50 10 JKGE Fc1cc(Br)c(F)c(Br)c1[C@H](Br)[C@@H]1C(F)(F)C12CC2 2272748121 ROFKXISMTFUKJL-WPRPVWTQSA-N 466.892 5.971 50 10 JKGE Cc1cc(C)c([C@@H](Br)c2c(F)cc(Br)c(F)c2Br)s1 2272844028 OPMGBCBCRORKPU-NSHDSACASA-N 474.990 6.652 50 10 JKGE CC(C)(C[C@H](Br)c1c(F)cc(Br)c(F)c1Br)C1CC1 2272853711 LIHRPWOSUFUTJG-VIFPVBQESA-N 460.982 6.752 50 10 JKGE CCn1cc(Br)c([C@H](Cl)Cc2cc(Br)cc(Br)c2)n1 2277956224 NHIXHNRUPMYVQQ-GFCCVEGCSA-N 471.418 5.713 50 10 JKGE COc1cc(Br)c([C@H](Cl)c2scc(Br)c2Cl)cc1OC 2279283327 LKJPUDVAWHFNMX-NSHDSACASA-N 461.002 6.272 50 10 JKGE C[C@@H]1Cc2cc(Br)cc([C@H](Cl)c3scc(Br)c3Cl)c2O1 2279291857 IGZASUUHTNGLKR-KBUNVGBDSA-N 457.014 6.578 50 10 JKGE COc1ccc([C@H](Br)c2cc(Br)sc2Br)c2c1CCC2 2284522637 IPLWNESNVDLVJP-AWEZNQCLSA-N 481.047 6.255 50 10 JKGE CC(C=NNC(=O)CSc1nnc(-c2ccccc2)n1-c1ccc(C)cc1)=Cc1ccccc1 2293559180 HCCZXBQSHNUJBZ-UHFFFAOYSA-N 467.598 5.540 50 10 JKGE Brc1cc(CO[C@@H]2CCCC[C@H]2Br)ccc1I 2306296683 AZYNDACQDHYVNW-ZWNOBZJWSA-N 473.974 5.276 50 10 JKGE Fc1cc(Cl)ccc1[C@@H](Br)c1ccc(OCc2ccccc2)cc1Br 2314448203 FYWDQYPCXYAQIK-FQEVSTJZSA-N 484.590 7.305 50 10 JKGE Fc1ccc(Br)cc1[C@@H](Cl)c1cc(Br)ccc1OCc1ccccc1 2314450026 VLZQTQTWIZQKJR-HXUWFJFHSA-N 484.590 7.258 50 10 JKGE Cc1ccc([C@H](Cl)c2ccc(OCc3ccccc3)cc2Br)cc1Br 2314498789 XRIUQXJAZHXYKL-NRFANRHFSA-N 480.627 7.427 50 10 JKGE Cc1ccc(-c2ccc(C=C(C#N)c3nc(-c4cccc([N+](=O)[O-])c4)cs3)o2)c([N+](=O)[O-])c1 2314519333 JLDFHMUSUILGCJ-UHFFFAOYSA-N 458.455 6.259 50 10 JKGE Cc1ccc(C[C@H]2SC(=C(C#N)C(=O)Nc3ccccc3C)N(c3ccc(C)c(C)c3)C2=O)cc1C 2314591673 AXZZDTWMLIBEDQ-HHHXNRCGSA-N 495.648 6.294 50 10 JKGE CC1=C(C#N)C(=O)N([C@@H](C)c2ccccc2)C(=O)C1=Cc1ccc(OCc2ccccc2Cl)cc1 2314618599 QEOPEVDNKDVHJN-FQEVSTJZSA-N 482.967 6.272 50 10 JKGE Cc1cc(O[C@@H](C)C(=O)Oc2ccc(C=C(C#N)C(=O)NCc3ccco3)cc2)cc(C)c1Cl 2314770713 ULAHOIMYABQMFA-SFHVURJKSA-N 478.932 5.146 50 10 JKGE COCc1ccc([C@H](Br)c2c(Br)cccc2Br)s1 2315104078 CXBBVCKCENTSOS-ZDUSSCGKSA-N 455.009 5.904 50 10 JKGE Clc1ccc([C@@H](Br)c2ccc(Cl)cc2I)c(Cl)c1 2317776013 SGJZACFVLSGLAX-CYBMUJFWSA-N 476.366 6.736 50 10 JKGE Brc1cc([C@@H](Br)[C@H]2C[C@@H]3CCCCCC[C@@H]32)c(Br)s1 2329821566 JYIJYMGMRRBHRP-RMIALFOJSA-N 471.096 7.316 50 10 JKGE COc1cc(C=C(C#N)c2ccc(Cl)cc2F)ccc1OCC(=O)Nc1ccc(C)cc1 2331063959 XECYUAWCVIZJQK-UHFFFAOYSA-N 450.897 5.878 50 10 JKGE CCOc1cc(C=C(C#N)c2nc3ccccc3n2CC)ccc1OCc1cccc(Cl)c1 2331071868 TUVOPEAXWYOSBH-UHFFFAOYSA-N 457.961 6.751 50 10 JKGE COc1cc(C=CC(O)=C(C#N)c2nc(-c3ccc(Cl)cc3Cl)cs2)cc(OC)c1OC 2331251198 JFADPZKYTNCTOY-UHFFFAOYSA-N 489.380 6.649 50 10 JKGE CCOc1ccc(-c2csc(C(C#N)=C(O)C(=Cc3ccc(OC)cc3)c3ccccc3)n2)cc1 2331305574 VLWDOJDFJSUPPE-UHFFFAOYSA-N 480.589 7.251 50 10 JKGE Cc1ccc(-c2csc(C(C#N)=C(O)c3ccc(N4CCOCC4)c([N+](=O)[O-])c3)n2)c(C)c1 2331311031 HJJFRFQZJHEVPI-UHFFFAOYSA-N 462.531 5.122 50 10 JKGE CCc1cccc(CC)c1N1C[C@@H](C(O)=C(C#N)c2nc(-c3ccc(C)c(C)c3)cs2)CC1=O 2331382687 UZEWLCFNBNHYGY-QFIPXVFZSA-N 471.626 6.398 50 10 JKGE COc1cc(Cl)c(C)cc1-c1csc(C(C#N)=C(O)C=Cc2ccc(C(C)C)cc2)n1 2331390566 ODYZDMVSRGNYOE-UHFFFAOYSA-N 450.991 7.410 50 10 JKGE COc1ccc(-c2csc(C(C#N)=C(O)c3ccc4c(c3)C(=O)N(CC(C)C)C4=O)n2)cc1Cl 2331398170 OOEVLOBNZPZRFP-UHFFFAOYSA-N 493.972 5.674 50 10 JKGE CCOc1c(Br)cc(C=C(C#N)c2nc(-c3cc(C)ccc3C)cs2)cc1OC 2331445817 OWXHQTMSZBUINL-UHFFFAOYSA-N 469.404 6.661 50 10 JKGE COc1ccc(-c2csc(C(C#N)=Cc3cc4c(cc3[N+](=O)[O-])OCCO4)n2)cc1Cl 2331484704 MPEGJADJZBCFPR-UHFFFAOYSA-N 455.879 5.216 50 10 JKGE CSC1CC(CC(CBr)(CBr)c2ccccc2Br)C1 2335747668 HDXIMOLABIOLGJ-UHFFFAOYSA-N 471.096 6.008 50 10 JKGE COc1cc(Br)ccc1[C@H](Cl)c1cc(Br)ccc1OCc1ccccc1 2336049736 FSFWBGPNTACOSJ-NRFANRHFSA-N 496.626 7.127 50 10 JKGE FC(F)(F)c1ccc([C@H](Br)c2cc(Br)ccc2OCc2ccccc2)o1 2336077759 KQZVTDZBSOMOAJ-GOSISDBHSA-N 490.113 7.124 50 10 JKGE CC1CCC([C@@H](Br)c2c(Cl)cc(Br)c(F)c2Br)CC1 2337092218 NDIOWAHBMWCAQW-WZQIAMPNSA-N 477.437 7.266 50 10 JKGE Cc1cc(Br)c(F)c(Br)c1[C@H](Br)[C@@H]1C[C@@H]1C1CCC1 2339658474 IOZOPXBIIJZMQD-GIPNMCIBSA-N 455.003 6.531 50 10 JKGE CC(F)(F)c1ccc([C@H](Cl)c2cc(Br)ccc2OCc2ccccc2)cc1 2361170012 AEYUQNRGDDTFJL-NRFANRHFSA-N 451.738 7.468 50 10 JKGE Cc1cc(I)c(OCC2(CBr)CCCCCC2)cc1Cl 2361591536 VICAMKODVZIACA-UHFFFAOYSA-N 471.604 6.367 50 10 JKGE Cc1c(Cl)cccc1[C@H](Cl)c1c(Cl)cc(Br)c(F)c1Br 2362237077 DYTKZPXLACAHQY-ZDUSSCGKSA-N 461.383 7.294 50 10 JKGE COc1c(C)cc(Br)cc1[C@@H](Cl)c1c(Br)c(Br)nn1C 2364069001 GHXZUNJJUJVIRG-SNVBAGLBSA-N 487.417 5.353 50 10 JKGE COc1c(Br)cc(C)c([C@H](Br)[C@H](C)C2CCCC2)c1Br 2365191750 QWJMAJULQBNGGQ-QMTHXVAHSA-N 469.055 6.791 50 10 JKGE CCN(C[C@](C)(CI)OCc1cc(C(C)(F)F)ccn1)C(=O)OC(C)(C)C 2381515699 RPWCUOVXEHPPDL-SFHVURJKSA-N 498.352 5.161 50 10 JKGE O=C(COc1ccc(Br)cc1Br)N/N=C/c1c(Cl)cccc1Cl 12583887 FQUIXRDKTQOKJZ-IFRROFPPSA-N 480.971 5.048 50 10 JKGE C[C@@H](Oc1ccc(C(C)(C)C)cc1)C(=O)NNC(=O)CCCOc1ccc(Cl)cc1Cl 14665796 DXEZTYXQKZROSA-OAHLLOKOSA-N 467.393 5.065 50 10 JKGE N#C/C(=C\c1ccc(-c2ccc([N+](=O)[O-])cc2)o1)c1nc(-c2ccc(Br)cc2)cs1 28355891 RGEQZKSHRNAZIF-LFIBNONCSA-N 478.327 6.805 50 10 JKGE COc1ccc(OCCCC(=O)Oc2ccc(/C=C(/C#N)c3ccccc3OC)cc2OC)cc1 31901983 WNSXKAWUVHBERX-FXBPSFAMSA-N 473.525 5.541 50 10 JKGE N#C/C(=C/c1ccccc1OCc1ccc(Br)cc1)S(=O)(=O)c1ccccc1 33283683 TVDVLAMPILJBKJ-STZFKDTASA-N 454.345 5.366 50 10 JKGE CC(C)c1ccccc1NC(=O)COc1ccc(/C=C(/C#N)c2nnc3n2CCCCC3)cc1 34745012 LZOFUJWQBXEMFX-PGMHBOJBSA-N 455.562 5.210 50 10 JKGE Cc1ccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)COc4ccc(Cl)cc4C)ccc32)cc1 38649266 YDFKSKFUCXSKIG-RUZDIDTESA-N 460.917 5.159 50 10 JKGE CCCCCOc1ccc(C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@H]3c2ccccc2F)cc1 38652054 MALAHSFPFLUILG-SANMLTNESA-N 472.516 5.832 50 10 JKGE N#CC1=C(N)Oc2cc(OC(=O)c3cccc4ccccc34)ccc2[C@H]1c1ccc(Cl)cc1Cl 38655473 HVOBJYOLBPFJBR-RUZDIDTESA-N 487.342 6.584 50 10 JKGE CCCCOc1ccccc1[C@@H]1C(C#N)=C(N)Oc2cc(OC(=O)Cc3ccc(Cl)cc3)ccc21 38683139 UUJXQBJPMIGDAV-MHZLTWQESA-N 488.971 5.885 50 10 JKGE COc1ccc(C(=O)N/N=C2\CCCc3oc(C(=O)Nc4cc(Cl)ccc4Cl)c(C)c32)cc1 40813857 JEKLZFSOWGNKHN-MTDXEUNCSA-N 486.355 5.626 50 10 JKGE COC(=O)c1c(NC(=O)/C(C#N)=C/c2ccc(OC)cc2)sc(C)c1-c1ccc(F)cc1 40939432 NWMOSNYWWGOCPR-SFQUDFHCSA-N 450.491 5.204 50 10 JKGE CCOC(=O)/C(C#N)=C/c1cccc(OC(=O)COc2cc(C)c(Br)cc2C(C)C)c1 40944713 DVYVKSMOAYVXIQ-VCHYOVAHSA-N 486.362 5.335 50 10 JKGE CCOc1ccc(/C=C(\C#N)C(=O)Nc2nc(-c3ccc(Br)cc3)c(C)s2)cc1 41013258 GGCJPRRJYJHMKB-SFQUDFHCSA-N 468.376 5.825 50 10 JKGE Cc1ccc(C)c(NC(=O)/C(C#N)=C\c2cc(Br)ccc2OCc2cccc(Cl)c2)c1 59201292 VEPACOZEIFGBFW-NDENLUEZSA-N 495.804 6.844 50 10 JKGE Fc1cc2c(cc1I)nc(CCl)n2-c1cc(Cl)cc(Cl)c1 97408545 AWOZUAGZNBGHHI-UHFFFAOYSA-N 455.485 5.815 50 10 JKGE Cc1ccccc1[C@@H](C(=O)NC1CCCCC1)N(CCc1ccc(Cl)cc1)C(=O)CCl 97914457 ICOGWDMAPJVXRY-DEOSSOPVSA-N 461.433 5.449 50 10 JKGE Fc1cccc(CC(CBr)(CBr)c2ccc(Br)cc2)c1 118878573 PCJRTQSXEKZRJL-UHFFFAOYSA-N 464.998 5.859 50 10 JKGE CN1Cc2cc([C@@H](Br)c3cc(Br)c(Br)s3)ccc2NC1=O 123263112 IDNRJLLPFSIGJQ-GFCCVEGCSA-N 495.034 5.735 50 10 JKGE C[C@H](Cl)c1nc2cc(Br)c(F)cc2n1Cc1sccc1Br 148436758 MBMPZHLFIIDYPY-ZETCQYMHSA-N 452.574 6.110 50 10 JKGE CCCCCOc1cccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)/C=C\c4ccccc4)ccc32)c1 205659626 PFCIOGACAMVPQN-OKWNXBCBSA-N 480.564 6.093 50 10 JKGE Cc1cc(I)ccc1NC(=O)/C(C#N)=C\Nc1ccc(Oc2ccccc2)cc1 217253847 XCBAWGATKROGRT-ICFOKQHNSA-N 495.320 5.850 50 10 JKGE CCCCOc1ccc(C(=O)NN=Cc2ccc(OC(=O)c3ccc(OCCCC)cc3)cc2)cc1 254737135 ZGBRQMYWNLZUSC-UHFFFAOYSA-N 488.584 6.028 50 10 JKGE O=C(NN=Cc1cc(-c2ccccc2)n(-c2ccc([N+](=O)[O-])cc2)c1-c1ccccc1)c1ccccc1 254849207 MKOGIFRRLIPYIA-UHFFFAOYSA-N 486.531 6.483 50 10 JKGE CCOc1ccc(-n2c(SCC(=O)NN=Cc3ccc(C(C)C)cc3)nnc2-c2ccccc2)cc1 263628393 OWPXVXWNQVLQIB-UHFFFAOYSA-N 499.640 5.699 50 10 JKGE CC1CCC(COc2c(Br)cc(Br)cc2CBr)CC1 311475615 PTMAGRMZWDWYGG-UHFFFAOYSA-N 455.028 6.312 50 10 JKGE Cc1cc(Br)c([C@H](Br)Cc2ccc(Br)cc2)cc1Cl 312016603 VGNRNVIWMCCDAU-CQSZACIVSA-N 467.426 6.852 50 10 JKGE Cc1cc(C)c([C@@H](Br)c2cc(Br)ccc2Cl)c(C)c1Br 312811151 RPKQABFMBPPFKB-INIZCTEOSA-N 481.453 7.275 50 10 JKGE COCc1nc(COc2c(Br)cc(CBr)cc2Br)cs1 694979200 GWMFSJZUFTUKSZ-UHFFFAOYSA-N 486.023 5.288 50 10 JKGE Clc1cccc(C[C@@H](Br)c2scc(Br)c2Br)c1 705504599 OBWBIDARUZRQCS-SECBINFHSA-N 459.428 6.605 50 10 JKGE Fc1ccc([C@@H](Br)c2ccc(I)c(Br)c2)c(F)c1 721590866 AQCKQMJJRZRCFT-ZDUSSCGKSA-N 487.907 5.816 50 10 JKGE Fc1cc([C@@H](Br)c2cccc(F)c2I)c(F)c(F)c1F 721720669 WSOQNOOYBZJBDF-VIFPVBQESA-N 462.981 5.471 50 10 JKGE CC(=NNC(=O)CSCc1ccccc1C)c1ccc2c(c1)[C@@H]1C=CC[C@@H]1[C@H](c1ccc(F)cc1)N2 725381977 RLNOXWXGOZHZQQ-YIIWZEITSA-N 499.655 6.734 50 10 JKGE CC(=NNC(=O)c1ccc(COc2ccc3ccccc3c2)cc1)c1ccc([S@](=N)(=O)O)cc1 915904457 XXPGJVUFGMRVNU-UHFFFAOYSA-N 473.554 5.451 50 10 JKGE N#C/C(=C/c1cccc(OCc2ccc(Cl)cc2)c1)C(=O)Nc1cccc(Cl)c1Cl 1083923963 GUJJYPZXDOCBQV-BOPFTXTBSA-N 457.744 6.771 50 10 JKGE COc1ccc(NC(=O)C(=O)NN=Cc2cc(C)n(-c3cc(Cl)ccc3Cl)c2C)cc1Cl 1083927200 NBHQNEXICZCIRN-UHFFFAOYSA-N 493.778 5.152 50 10 JKGE CCOc1ccc(NC(=O)/C(C#N)=C\c2ccccc2OCc2ccc(Cl)cc2Cl)cc1 1084001255 ZSXLWEGIIDOBTK-UYRXBGFRSA-N 467.352 6.517 50 10 JKGE O=C(CSc1c(Cl)c(Cl)c(Cl)c(Cl)c1Cl)NN=Cc1ccccc1F 1084325946 BIYAPKBOMDBJKA-UHFFFAOYSA-N 460.572 6.335 50 10 JKGE Nc1cc(C(F)(F)F)ccc1[C@H]1CN(C(=O)OCc2ccccc2)C[C@@H]1CBr 1614644179 ZSNYCPSWCMEHCE-YOEHRIQHSA-N 457.290 5.035 50 10 JKGE CC(C)(C)c1ccc([C@H]2CN(C(=O)OCc3ccccc3)C[C@@H]2CI)cc1 1614810751 MEXSXMSCAXZUDQ-PZJWPPBQSA-N 477.386 5.771 50 10 JKGE Cc1c(C(=O)N2c3ccccc3C[C@@H]2C)oc2c1C(=NNC(=O)c1ccccc1Cl)CCC2 1772743666 FWKSQACGRGJLPB-HNNXBMFYSA-N 461.949 5.303 50 10 JKGE Cc1c(C(=O)Nc2ccc(Oc3ccccc3)cc2)oc2c1C(=NNC(=O)Cc1ccccc1)CCC2 1772748078 HZVPHASWPKVGFO-UHFFFAOYSA-N 493.563 6.032 50 10 JKGE Cc1ccc2c(CC(=O)NN=C3CCCc4oc(C(=O)Nc5ccccc5F)c(C)c43)coc2c1C 1772751764 LXIFZFMRCINFJS-UHFFFAOYSA-N 487.531 5.742 50 10 JKGE COc1cc(C=NNC(=O)COc2cc(C)cc(C)c2)ccc1OCc1ccc(Cl)cc1 1772752879 QTSAEOCJELAJFE-UHFFFAOYSA-N 452.938 5.074 50 10 JKGE CCOc1ccc(Br)cc1C=NNC(=O)COc1ccccc1-c1ccccc1 1772753876 LUWGUNHDRIEWPD-UHFFFAOYSA-N 453.336 5.044 50 10 JKGE CC(C)(C)c1cc(Br)ccc1OCC(=O)NN=Cc1ccc(Cl)c(Cl)c1 1772754369 ZXMMAXVNDNLDEY-UHFFFAOYSA-N 458.183 5.583 50 10 JKGE CCOc1cc([C@H]2C(C#N)=C(N)Oc3c2c(-c2ccccc2)nn3Cc2ccc(Cl)cc2)ccc1O 1865681018 CNYUIIDVROWZML-DEOSSOPVSA-N 498.970 5.574 50 10 JKGE N#CC1=C(N)Oc2c(c(C(F)(F)F)nn2Cc2ccccc2Cl)[C@H]1c1c(F)cccc1Cl 1865685295 HUUYBHRKXFQOMJ-OAHLLOKOSA-N 483.252 5.614 50 10 JKGE CCN(CC)c1ccc([C@H]2C(C#N)=C(N)Oc3c2c(-c2ccccc2)nn3-c2ccccc2)cc1 1865702243 QIEKWZCTRPWXPM-VWLOTQADSA-N 461.569 5.604 50 10 JKGE CCCc1nn(Cc2cccc(Cl)c2)c2c1[C@H](c1ccc(N(CC)CC)cc1)C(C#N)=C(N)O2 1865702393 UUFXNKCVWSFSSF-XMMPIXPASA-N 476.024 5.602 50 10 JKGE COc1ccc(-c2nn(Cc3ccc(Cl)cc3)c3c2[C@@H](c2cccc(F)c2)C(C#N)=C(N)O3)cc1 1865710829 JKEBMABUDVUQSF-QHCPKHFHSA-N 486.934 5.618 50 10 JKGE CCCC[C@H](NC(=O)Cc1nc(-c2ccc(F)cc2)oc1C)C(=O)Nc1ccc(SC#N)cc1 1866660358 SBHDSCZHCQPODO-NRFANRHFSA-N 480.565 5.219 50 10 JKGE CC[C@@H](C(=O)N[C@H](CCSC)C(=O)Nc1ccc(SC#N)cc1)c1ccc(Cl)cc1 1866958342 ZKHRBUTWCSRIRT-WOJBJXKFSA-N 462.040 5.283 50 10 JKGE CCc1ccc([C@@H]2CN(c3cc(Nc4ccc(SC#N)cc4)nc(-c4cccnc4)n3)CCO2)cc1 1868565490 LNMCEGBNLQPFQZ-VWLOTQADSA-N 494.624 5.996 50 10 JKGE CCc1cccc(C)c1N1C[C@H](/C(O)=C(\C#N)c2nc(-c3cccc(Cl)c3)cs2)CC1=O 1872748159 LCAREJRPUBGMMZ-FCZGTTMTSA-N 463.990 6.180 50 10 JKGE CCCCCCCOc1ccc(-c2csc(/C(C#N)=C(\O)Cc3ccc(OC(C)C)cc3)n2)cc1 1872753057 GCFLXDJLKTVYNR-SGEDCAFJSA-N 490.669 7.982 50 10 JKGE CC(C)c1ccccc1O[C@H](C)/C(O)=C(\C#N)c1nc(-c2ccc(Oc3ccccc3)cc2)cs1 1872753575 DCUBNZSQYYCJQF-DQQTXVFNSA-N 482.605 7.986 50 10 JKGE COc1ccc(/C=C/C(O)=C(\C#N)c2nc(-c3cc(C(C)C)c(OC)cc3C)cs2)c(OC)c1 1872753974 WTBJFSUNQLDAAI-LCTZOBSXSA-N 476.598 6.774 50 10 JKGE COc1ccc(/C=C/C(O)=C(\C#N)c2nc(-c3cc(Cl)ccc3OC)cs2)c(OC)c1 1872758985 ZSVUGFKSVJNCIA-MBHKSPPESA-N 454.935 5.995 50 10 JKGE Cc1ccc(COc2ccc(/C=C(\C#N)c3nc(-c4ccc5ccccc5c4)cs3)cc2)cc1 1872782722 QZPAWKYIYAWAHL-JVWAILMASA-N 458.586 7.915 50 10 JKGE CCCCOc1ccc(/C=C(\C#N)c2nc(-c3cc(C)cc(C)c3OC)cs2)cc1OCC 1872792741 PHTWVZPBEXLDGS-KGENOOAVSA-N 462.615 7.077 50 10 JKGE Clc1ccc(I)c(CC2(CBr)CC3(CCCC3)C2)c1 1912572920 FSYACLASGPFCGX-UHFFFAOYSA-N 453.589 6.223 50 10 JKGE O=C(c1cccc(Br)c1Cl)N(Cc1ccccc1)C1(CBr)CCC1 1915760474 PENKCJNIDCRGNT-UHFFFAOYSA-N 471.620 6.063 50 10 JKGE Cc1nsc(Br)c1C(=O)N(Cc1ccccc1)C1(CBr)CCC1 1915765181 FBIGFTQPSXDJKQ-UHFFFAOYSA-N 458.219 5.174 50 10 JKGE CN(C[C@@H](Br)COCc1ccccc1)C(=O)c1cc(Cl)ccc1Br 1916383830 QCMIUDROSUWMOH-CQSZACIVSA-N 475.608 5.155 50 10 JKGE COc1c(C)cc(Br)c(C)c1[C@@H](Br)c1cc(C)c(Br)o1 1917613266 UEQNNEQTEAUGIM-ZDUSSCGKSA-N 466.995 6.223 50 10 JKGE Cc1c(Br)sc([C@@H](Br)[C@H]2C[C@@H]3O[C@H]2[C@H]2C[C@@H]32)c1Br 1922921298 PLEICGJXKACFQF-FBJXANEASA-N 457.025 5.441 50 10 JKGE Cc1c(Br)sc([C@H](Cl)C(C(F)(F)F)C(F)(F)F)c1Br 1922953348 CBPXYGGGWKFXCS-BYPYZUCNSA-N 454.455 6.602 50 10 JKGE Clc1c(Br)sc(Br)c1[C@H](Br)C[C@@H]1C[C@@H]1C1CC1 1923063534 ZTLRSIYHHVLULX-XLPZGREQSA-N 463.460 6.799 50 10 JKGE C[C@H](c1ccncc1Br)[C@H](Cl)c1cccc(Br)c1Br 1924066250 FKGYTOKIIBGHLU-CLAHSXSESA-N 468.414 6.453 50 10 JKGE Cn1ncc([C@@H](Cl)c2c(Cl)sc(Br)c2Cl)c1I 1925599858 PATRGPIOKHBZQD-RXMQYKEDSA-N 486.387 5.484 50 10 JKGE CN(c1cc(Br)cc(F)c1CBr)[C@H]1CC[C@@H]1OCc1ccccc1 2004047640 RMASBWUSXZOYEU-HKUYNNGSSA-N 457.181 5.667 50 10 JKGE CCCC(CBr)(CBr)Cc1cc(Br)ccc1Br 2006504033 VJQXIKAVXBSMRS-UHFFFAOYSA-N 491.887 6.330 50 10 JKGE COc1ccc([C@@H](Br)c2cc(I)sn2)cc1Br 2007646233 WKNOUYJJQORFNZ-LLVKDONJSA-N 488.970 5.003 50 10 JKGE CC[C@H](C)[C@H](CI)NCc1ccc(Br)cc1Br 2023044886 VCXOYASZDUPGJE-ZANVPECISA-N 475.006 5.151 50 10 JKGE Brc1cc([C@H](Br)[C@]23CCCC[C@@H]2CCC3)sc1Br 2031752127 LDPHRKLFFDRYHL-LQJRIPTKSA-N 457.069 7.070 50 10 JKGE COc1cc(C)c(Br)cc1[C@H](Cl)c1cc(I)sn1 2056486780 FAMNRMZOUFULRE-LBPRGKRZSA-N 458.546 5.155 50 10 JKGE CCOc1ccc([C@@H](Cl)c2cc(I)sn2)cc1Br 2056488533 WGOBBVPVHDDVOC-GFCCVEGCSA-N 458.546 5.237 50 10 JKGE CCc1nn(C)c([C@@H](Br)c2cc(Br)c(Cl)s2)c1Br 2072303354 WYIHISRGSKANSL-VIFPVBQESA-N 477.447 5.707 50 10 JKGE C[C@@H](Br)[C@H](NCc1cccc(Br)c1Br)C(F)(F)F 2074716835 OZJBFEHXILWTEJ-LDWIPMOCSA-N 453.922 5.016 50 10 JKGE COc1ccc([C@@H](Br)c2sncc2Br)c(OC)c1Br 2088927697 QELHEGVFQYWCEZ-SECBINFHSA-N 471.996 5.170 50 10 JKGE Fc1cc(Cl)c(Br)cc1[C@@H](Br)c1cc(Br)ccc1Cl 2097836312 YVLLYRQASPSRLT-ZDUSSCGKSA-N 491.807 7.142 50 10 JKGE CC(C)(C)C[C@H](CBr)CNC(=O)c1cc(Br)c(Br)s1 2100107123 NEUJXAGNMGCMNE-MRVPVSSYSA-N 476.072 5.450 50 10 JKGE CO[C@@H]1CC[C@@H]([C@H](Br)c2c(C)c(Br)cc(C)c2Br)C1 2136377572 QCTXTBHYNMNUDX-HFAKWTLXSA-N 455.028 6.080 50 10 JKGE Fc1cc(Cl)cc([C@@H](Br)c2ccc(Br)cc2Br)c1F 2138850092 LJLWQONYEOWXGA-LBPRGKRZSA-N 475.352 6.628 50 10 JKGE Cc1cc(Br)c(F)c([C@@H](Br)c2cc(Cl)c(Br)cc2F)c1 2145601946 WNDQDTIPBIPFIE-ZDUSSCGKSA-N 489.379 6.936 50 10 JKGE FC1(F)[C@@H]([C@H](Br)c2cc(I)cc3c2OCC3)C12CCC2 2149875339 VCRKHNDJGOPOHV-YPMHNXCESA-N 455.080 5.098 50 10 JKGE CC1(C)CCC[C@]1(CBr)NC(=O)c1c(Br)cccc1Br 2150554792 GYSUCVZRKXENLO-OAHLLOKOSA-N 468.027 5.285 50 10 JKGE CC1CCC2(CC1)[C@@H](Br)C[C@H]2Oc1c(Br)cccc1Br 2157076056 PDQHCTFEBAXHGK-STOOLFAPSA-N 467.039 6.323 50 10 JKGE Fc1cc2nc(CCl)n([C@H]3CCCCN(Cc4ccccc4)C3)c2cc1Br 2158571024 HDSRZNTVEHYTQE-INIZCTEOSA-N 450.783 5.904 50 10 JKGE O=C(NC[C@@H]1CCCC[C@@H](Br)C1)c1cc(Br)ccc1Br 2163746353 RDJCZNJXRXXDGG-GHMZBOCLSA-N 468.027 5.285 50 10 JKGE O=C(c1csc(Br)c1Br)N1CCC[C@@H]2CC[C@H](Br)C[C@@H]21 2167006218 VCMPHLCIJFJYRQ-YWVKMMECSA-N 486.067 5.441 50 10 JKGE COc1ccc(C[C@H](Br)c2cc(I)ccc2F)cc1F 2169666698 WHYYMUHBHJBJJM-LBPRGKRZSA-N 453.064 5.257 50 10 JKGE CCc1nn(C)c([C@@H](Br)c2cc(Br)c(Cl)cc2F)c1Br 2192383881 CDUPYSYAJHCEKZ-NSHDSACASA-N 489.408 5.784 50 10 JKGE ClCc1nc2cc(Cl)c(Br)cc2n1C[C@H]1COCCN1Cc1ccccc1 2194647446 BBYXIJITRBQFEE-HNNXBMFYSA-N 469.210 5.092 50 10 JKGE BrCc1cc(Br)c(OC[C@H]2CC23CCOCC3)c(Br)c1 2198162223 JNZWDNNTDIFIHL-LLVKDONJSA-N 469.011 5.302 50 10 JKGE COc1cc2c(cc1Br)nc(CCl)n2CC[C@@H](C)N(C)Cc1ccccc1 2202318383 GJNYTRXMDREHFT-OAHLLOKOSA-N 450.808 5.457 50 10 JKGE COc1c(Cl)cc(Br)cc1[C@@H](Br)c1ccc(Br)cc1C 2203004231 QXNMPXZZXGPZAC-AWEZNQCLSA-N 483.425 6.666 50 10 JKGE Clc1cc(Br)c([C@H](Br)[C@H]2C[C@@H](Br)C2)c(Cl)c1Cl 2212845290 ZJUOAFRLJWSDAK-IKMPGZOFSA-N 486.256 7.019 50 10 JKGE Cc1sc(Br)cc1[C@H](Br)c1c(C)sc(Br)c1C 2213645056 MXSKJDTZKAEUBD-NSHDSACASA-N 459.066 6.744 50 10 JKGE Cc1ccc(I)c([C@@H](Br)c2cc(Cl)sc2Cl)c1 2217420652 HGCZYURZQLBWPE-LLVKDONJSA-N 461.977 6.452 50 10 JKGE Fc1cc(Br)c(Br)cc1[C@@H](Br)COCC(F)(F)F 2218598825 XAYAOTZQXREJAG-QMMMGPOBSA-N 458.869 5.366 50 10 JKGE COc1cc(F)ccc1[C@H](Br)c1sc(Br)cc1Br 2218606045 NIZNZEJGBBFAKD-NSHDSACASA-N 458.972 5.905 50 10 JKGE CC1(CO[C@]2(CI)CCCN(C(=O)OC(C)(C)C)C2)CC2(CCC2)C1 2220952852 ZDYZNIVFNLMPID-FQEVSTJZSA-N 463.400 5.178 50 10 JKGE Br[C@H](c1ccc([C@@H]2CCOC2)s1)c1sccc1I 2223725798 RPPWTHKSLXQROG-PRHODGIISA-N 455.180 5.402 50 10 JKGE Fc1cc(Br)c(Br)cc1[C@@H](Br)C12CCC(CC1)CC2 2225617851 RYXNFMOFPGOQMW-JBLLZRQOSA-N 455.003 6.757 50 10 JKGE Fc1cc(Br)c(Br)cc1[C@@H](Cl)c1cc(Br)ccc1Cl 2225633103 HFQDZYQZXSPBOB-ZDUSSCGKSA-N 491.807 7.095 50 10 JKGE CCOCc1cc(Br)c([C@H](Br)c2cc(Cl)ccc2Cl)s1 2233024257 VPUTYXLANVIPRJ-CYBMUJFWSA-N 459.030 6.838 50 10 JKGE Fc1cc(Br)c(Br)cc1[C@@H](Cl)C(C(F)(F)F)C(F)(F)F 2233969570 KUTZBXZTXOOPQJ-SSDOTTSWSA-N 452.389 6.371 50 10 JKGE Fc1cc(Br)c(Br)cc1[C@@H](Br)c1cccc(C2CC2)c1 2233981677 LXJFZSULIXNWTN-INIZCTEOSA-N 462.982 6.712 50 10 JKGE Cc1cc(Br)c([C@H](Br)[C@H]2C[C@@H]3CC[C@H](C2)O3)c(C)c1Br 2235608789 LSTCPSNGMQELHF-LSSIXWDNSA-N 467.039 6.222 50 10 JKGE Fc1ccc([C@H](Cl)c2c(F)cc(F)c(Br)c2F)c(I)c1 2236102087 GWOYAOHAGYXUNQ-LBPRGKRZSA-N 479.436 5.938 50 10 JKGE CS(=O)(=O)c1csc([C@H](Br)Cc2ccc(Br)cc2Cl)c1 2237453769 CMPNEMFOUYQWHD-LLVKDONJSA-N 458.624 5.246 50 10 JKGE Clc1ccc(I)c(CN2[C@H](CBr)C[C@H]3CCCC[C@H]32)c1 2240676084 WCEGNDZURGWSOC-DIOULYMOSA-N 468.604 5.473 50 10 JKGE O=C(Cc1cc(Br)cc(Br)c1)N(CCCCl)Cc1ccccc1 2245974218 JEMBUIPKQOABDM-UHFFFAOYSA-N 459.609 5.412 50 10 JKGE Cc1nc([C@@H](Br)Cc2cc(Br)cc(Br)c2)c(C)s1 2263508478 IWHJUFDOHZFFNP-LBPRGKRZSA-N 454.025 5.964 50 10 JKGE Cc1ccc([C@H](Br)c2c(F)cc(Br)c(F)c2Br)cc1 2272727496 UQNZRENWYSVWNH-LBPRGKRZSA-N 454.934 6.283 50 10 JKGE CC(C)(C)C1CC(CCl)(Nc2ncc(I)cc2Br)C1 2274247284 HBRBYMWZTOINDM-UHFFFAOYSA-N 457.581 5.294 50 10 JKGE CCC[C@@H](CC(C)C)[C@H](Br)Cc1cc(Br)cc(Br)c1 2277965857 NZCPNKZWJJWRBL-XJKSGUPXSA-N 455.072 6.980 50 10 JKGE Cc1cc(Br)c([C@H](Br)Cc2cccc(Br)c2)c(C)c1F 2279145418 XWJKPCZOKJBZJV-CQSZACIVSA-N 464.998 6.646 50 10 JKGE O=C(NC[C@H]1CCCC[C@H](Br)C1)c1ccc(Cl)c(I)c1 2283653171 CVBYZTGQPGILFR-JQWIXIFHSA-N 470.576 5.018 50 10 JKGE Fc1cc(Br)cc(F)c1COc1ccc(CBr)cc1Br 2287134178 XCPFQIHBARNKPP-UHFFFAOYSA-N 470.933 5.964 50 10 JKGE CCCCCCOC(=O)c1ccccc1NC=C(C#N)c1nc(-c2cccc([N+](=O)[O-])c2)cs1 2295956239 KTOOPWFUJXXCMP-UHFFFAOYSA-N 476.558 6.432 50 10 JKGE COc1ccc(-c2csc(C(C#N)=CNc3cc(C(F)(F)F)ccc3Cl)n2)cc1OC 2296753607 ONHPFGAAHOKQSO-UHFFFAOYSA-N 465.884 6.476 50 10 JKGE N#CC(=CNc1ccc(F)cc1F)c1nc(-c2cc3cc(Br)ccc3oc2=O)cs1 2296763933 HLARXYWANXDCFN-UHFFFAOYSA-N 486.297 5.934 50 10 JKGE Cc1ccc(-c2csc(C(C#N)=Cc3cc4cc(Br)ccc4nc3Cl)n2)c(C)c1 2297315474 SPMVKOTZXWENNO-UHFFFAOYSA-N 480.818 7.455 50 10 JKGE CCN(CC)c1ccc(C=C(NC(=O)c2ccccc2)C(=O)NN=Cc2ccc3ccccc3c2)cc1 2297322776 ZLFVIOOBLMGABJ-UHFFFAOYSA-N 490.607 5.607 50 10 JKGE CCc1cccc(C)c1NC(SCc1cc(C)ccc1C)=C(C#N)S(=O)(=O)c1ccccc1 2297350063 RBNWKBURQCHRLL-UHFFFAOYSA-N 476.667 6.686 50 10 JKGE O=C(NN=Cc1ccc(N2N=C(C=Cc3ccccc3)C[C@H]2c2ccccc2)cc1)c1ccc(F)cc1 2297413528 OCOSQSRNZUSUKT-PMERELPUSA-N 488.566 6.610 50 10 JKGE Brc1ccc(OCc2ccccc2)c([C@@H](Br)[C@@]23CCCC[C@@H]2C3)c1 2299495854 MKNCFRDCIKGJLT-MAODMQOUSA-N 450.214 7.044 50 10 JKGE Clc1cc(I)c([C@H](Br)c2cc3c(s2)CCC3)s1 2301084129 PJNOHHYYOLOVPQ-LLVKDONJSA-N 459.599 6.041 50 10 JKGE CCOc1cc(C=C(C#N)C(=O)Nc2ccc(C)cc2)ccc1OCc1cccc([N+](=O)[O-])c1 2313566976 ADYHJDGGQDOJIE-UHFFFAOYSA-N 457.486 5.427 50 10 JKGE C[C@@H](Oc1ccc(Cl)cc1Cl)C(=O)NN=C1C(=O)N(CC=Cc2ccccc2)c2ccccc21 2313649569 NISFBTQCGGONKD-QGZVFWFLSA-N 494.378 5.341 50 10 JKGE Fc1ccc(F)c([C@H](Br)c2cc(Br)ccc2OCc2ccccc2)c1 2314446508 UDWSESVDZCMEQE-FQEVSTJZSA-N 468.135 6.791 50 10 JKGE C[C@H]1C[C@@H]([C@H](Br)c2ccc(OCc3ccccc3)cc2Br)C[C@@H](C)O1 2314456332 WKQZBZANZOITKC-GAPZROTKSA-N 468.229 6.668 50 10 JKGE Cc1cccc(C[C@H]2SC(=C(C#N)C(=O)Nc3ccccc3C)N(c3ccc(C(C)C)cc3)C2=O)c1 2314592412 STOMBNKGBCRARQ-HHHXNRCGSA-N 495.648 6.492 50 10 JKGE Fc1c(Br)cc(Cl)c([C@H](Cl)c2ccc(Cl)s2)c1Br 2315439336 DACZJBKRDZGIEB-SNVBAGLBSA-N 453.385 7.047 50 10 JKGE Cc1csc([C@H](Br)c2c(Cl)cc(Br)c(F)c2Br)c1 2315451926 VUUJNXPZNJLRGC-JTQLQIEISA-N 477.418 6.858 50 10 JKGE Cc1nc(Br)c([C@H](Cl)c2c(Br)sc(Br)c2Cl)n1C 2315598113 MNQNAYOTCFEQGT-RXMQYKEDSA-N 497.865 6.059 50 10 JKGE COc1c(Cl)cc(Br)cc1[C@@H](Br)c1cnsc1Br 2315645186 PLFLWGWDOQYSIZ-SECBINFHSA-N 476.415 5.814 50 10 JKGE COc1ccc([C@H](Br)c2sc(Cl)cc2I)cc1F 2316598647 FTIUAMAAOMNMBM-NSHDSACASA-N 461.521 5.638 50 10 JKGE COc1ccc(C(C#N)=Cc2ccc(OC(=O)c3ccc(C(F)(F)F)cc3)c(OC)c2)cc1 2320506999 WNJPLDREVYRFCW-UHFFFAOYSA-N 453.416 6.006 50 10 JKGE CCCOc1ccc(C=NNC(=O)c2ccc(-c3ccc(OC)c(OC)c3)nc2C)cc1OCC 2321248513 LSGVBBIFOGMZRS-UHFFFAOYSA-N 477.561 5.026 50 10 JKGE COc1cc(C=C(C#N)c2nc3ccc(C)cc3[nH]2)cc([N+](=O)[O-])c1OCc1cccc(C)c1 2323839250 WOUMQUBXUIDEGO-UHFFFAOYSA-N 454.486 5.740 50 10 JKGE Cc1c(Br)sc([C@@H](Br)[C@@H]2CC[C@@H]3[C@H](C2)C3(F)F)c1Br 2329709795 KQRMUXUQZDXWDT-ODXREFDESA-N 479.022 6.699 50 10 JKGE CC(C)(C)c1ccc(C=CC(O)=C(C#N)c2nc(-c3ccc(-c4ccccc4)cc3)cs2)cc1 2331231841 JLMGQIOPLGMZMI-UHFFFAOYSA-N 462.618 8.281 50 10 JKGE CSCC[C@@H](C(O)=C(C#N)c1nc(-c2ccc(F)cc2F)cs1)N1C(=O)c2ccccc2C1=O 2331293117 SVEINKWRMMBUOB-FQEVSTJZSA-N 497.548 5.299 50 10 JKGE CSCC[C@@H](C(O)=C(C#N)c1nc(-c2ccc(F)c(C)c2)cs1)N1C(=O)c2ccccc2C1=O 2331322513 GIQCZOLWXICZSR-NRFANRHFSA-N 493.585 5.468 50 10 JKGE CCCCCCCOc1ccc(-c2csc(C(C#N)=C(O)[C@H]3CC(=O)N(C(C)(C)C)C3)n2)cc1 2331345518 QNVHYRCNTFIQLC-FQEVSTJZSA-N 481.662 6.599 50 10 JKGE COc1cc(C)c(-c2csc(C(C#N)=C(O)C=Cc3cccc(Cl)c3)n2)cc1C(C)C 2331354001 XDRPEZZIAHJNQD-UHFFFAOYSA-N 450.991 7.410 50 10 JKGE COc1cc(Cl)c(C)cc1-c1csc(C(C#N)=C(O)c2cc(Cl)ccc2Cl)n1 2331390078 GPNIAYPXXDAYIX-UHFFFAOYSA-N 451.762 7.037 50 10 JKGE Cc1cc(C)c(-c2csc(C(C#N)=C(O)c3ccc(N4CCOCC4)c([N+](=O)[O-])c3)n2)c(C)c1 2331394437 IDXPFDLWBORZMJ-UHFFFAOYSA-N 476.558 5.430 50 10 JKGE Cc1ccc(C(C)(C)C)cc1-c1csc(C(C#N)=C(O)Cc2ccc(OCc3ccccc3)cc2)n1 2331394790 YPBNQXOZZIVEAQ-UHFFFAOYSA-N 494.660 8.030 50 10 JKGE Cc1cc(Br)c(C)c([C@H](Br)C[C@@H]2CCC2(F)F)c1Br 2335357974 HIRCZKKYLBSQQL-GXSJLCMTSA-N 460.982 6.700 50 10 JKGE Fc1ccc(C[C@H](Br)c2ccc(OCc3ccccc3)cc2Br)c(F)c1 2336084685 WAPVIMWHFUTZGO-IBGZPJMESA-N 482.162 6.985 50 10 JKGE FC1(F)[C@@H]2CC[C@H]([C@H](Br)c3ccc(OCc4ccccc4)cc3Br)C[C@H]21 2336086168 KYZRGVNXKKBFQG-IVGZAAIESA-N 486.194 7.146 50 10 JKGE Clc1ccc(C[C@@]2(CBr)CCCCC23CC3)cc1I 2337226574 AOGJYKHKLQEVOA-MRXNPFEDSA-N 453.589 6.223 50 10 JKGE Fc1c(Br)cc(Cl)c([C@H](Br)[C@@H]2CCCCC23CC3)c1Br 2362229936 WJYOUJBXVLEIGE-QPUJVOFHSA-N 489.448 7.411 50 10 JKGE Cc1cc(Br)c(F)c(Br)c1[C@H](Br)[C@@H]1Cc2ccccc21 2365182098 YTLWAFBWMSHHSO-BXUZGUMPSA-N 462.982 6.435 50 10 JKGE COc1c(Br)cc(C)c([C@H](Br)[C@@H]2CCC(C)(C)C2)c1Br 2365190296 DAMKTJDXKWPHNG-ZWNOBZJWSA-N 469.055 6.791 50 10 JKGE Cc1cc(Br)c(F)c(Br)c1[C@H](Br)CC(F)(F)C(F)(F)F 2365218966 OGGIXQABCSKPMH-ZCFIWIBFSA-N 492.877 6.683 50 10 JKGE CC(C)(C)CCN(CCBr)C(=O)c1ccc(Cl)cc1I 2365592903 RRXPUHQQSJBPFP-UHFFFAOYSA-N 472.592 5.218 50 10 JKGE Clc1cc(Cl)cc(CC[C@@H](Cl)c2ccc(I)c(Cl)c2)c1 2366874177 BAZISPZQEDFGRY-CYBMUJFWSA-N 459.969 7.164 50 10 JKGE CC1(C)CC[C@H](CCOc2c(Br)cc(CBr)cc2Br)C1 2370895064 CYHKYIIZZHZWPY-LLVKDONJSA-N 469.055 6.702 50 10 JKGE COc1cccc(N/C(SCc2cccc([N+](=O)[O-])c2)=C(/C#N)C(=O)NCc2ccccc2)c1 3052518 VLFUPQWNRPHBIO-WJTDDFOZSA-N 474.542 5.000 50 10 JKGE N#CC1=C2N=C(N)c3ccccc3N2C2=C(C(=O)C[C@H](c3ccccc3)C2)[C@@H]1c1ccccc1F 3654429 DGMOWYHWAMKBMU-WXTAPIANSA-N 460.512 5.284 50 10 JKGE CCOC(=O)/C(C#N)=C1/S[C@H](Cc2ccc(Cl)c(Cl)c2)C(=O)N1c1ccc(C)cc1 33729436 QGQUJNCKRJHLAB-SRMPHAGFSA-N 461.370 5.291 50 10 JKGE Cc1ccc(-c2nc(/C(C#N)=C\C3=Cc4ccccc4O[C@@H]3C)sc2NC(=O)c2ccco2)cc1 34982900 CWPJMBAQMKNIHU-OSVNEOKWSA-N 479.561 6.735 50 10 JKGE C=CCOc1ccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4ccccc4OCCCC)ccc32)cc1 38658265 IEBRWEOSPDJADR-MUUNZHRXSA-N 496.563 5.868 50 10 JKGE C=CCOc1ccc(C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@@H]3c2ccc(SC)cc2)cc1 38682413 WZMGYQFVXULRMS-RUZDIDTESA-N 470.550 5.411 50 10 JKGE CCCCCOc1cccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4ccccc4OCC)ccc32)c1 40530106 VKXUTJGZFCYWAG-NDEPHWFRSA-N 498.579 6.092 50 10 JKGE CCOc1cccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)[C@H](C)Oc4ccc(CC)cc4)ccc32)c1 40530184 VSOSZXIJIMMJCE-XRHLQHRESA-N 484.552 5.239 50 10 JKGE O=C(NNc1ncnc(Nc2ccc(/N=N/c3ccccc3)cc2)c1[N+](=O)[O-])c1cccc([N+](=O)[O-])c1 40645902 DVIBLUOXMXJHPJ-BYYHNAKLSA-N 499.447 5.209 50 10 JKGE Cc1ccc(Cl)cc1NC(=O)c1oc2c(c1C)/C(=N/NC(=O)c1ccc([N+](=O)[O-])cc1)CCC2 40812192 VIVANYIVEOCBQJ-OVVQPSECSA-N 480.908 5.181 50 10 JKGE O=C(N/N=C(/CSc1nc2ccccc2[nH]1)c1ccc(-c2ccccc2)cc1)c1cccnc1 59460738 AWOPYROJNAUNEO-GDWJVWIDSA-N 463.566 5.551 50 10 JKGE Fc1cc([C@H](Br)c2cc(F)c(Br)cc2F)ccc1Br 70474435 SZPKXLHGMSMAOL-ZDUSSCGKSA-N 458.897 6.113 50 10 JKGE COc1ccc(N/C(SCc2cc(C)ccc2C)=C(\C#N)S(=O)(=O)c2ccccc2)cc1Cl 96482177 RAUVHPOQDVVIMI-IZHYLOQSSA-N 499.057 6.477 50 10 JKGE COc1ccc([C@H](C(=O)NC2CCCCC2)N(CCC2=CCCCC2)C(=O)CCl)cc1OC 97914573 IQVBETXRFGRBBN-RUZDIDTESA-N 477.045 5.152 50 10 JKGE CS/C(NC(=O)c1ccccc1)=C(/C#N)[PH](c1ccccc1)(c1ccccc1)c1ccccc1 100835235 YZTJNEUYIZLWGQ-OHYPFYFLSA-N 480.573 5.198 50 10 JKGE N#C/C(=C/c1cn(CCOc2ccc(Cl)cc2)c2ccccc12)C(=O)Nc1nc2ccccc2s1 102443730 ZWMNDSYAMXFTJR-SDXDJHTJSA-N 498.995 6.529 50 10 JKGE COc1cc(Br)c([C@@H](Cl)c2ccccc2I)cc1OC 109817298 ZCHYBXDNJGGCQB-HNNXBMFYSA-N 467.528 5.399 50 10 JKGE Cc1ccc([C@@H](Br)c2cc(Br)ccc2Br)c2ccccc12 161107404 BUWCOUHCWPGCKN-GOSISDBHSA-N 469.014 7.158 50 10 JKGE CC1=C(C#N)C(=O)N(CCCOC(C)C)C(=O)/C1=C\c1cn(-c2ccccc2)nc1-c1ccc(C)cc1 214304354 JHKROSUGKTXVKV-ONUIUJJFSA-N 494.595 5.255 50 10 JKGE CC(=O)c1ccc(NC(=O)/C(C#N)=C\Nc2ccc(-c3nc4ccc(C)cc4s3)cc2)cc1 217242182 UVKRKMNZMKWLFF-HKWRFOASSA-N 452.539 5.932 50 10 JKGE Cc1sc([C@H](Br)c2cc(Br)ccc2Cl)cc1Br 227833342 AKPPVJBWCIKTGP-GFCCVEGCSA-N 459.428 6.719 50 10 JKGE O=C(N[C@H]1CCCCC[C@@H]1Br)c1cc(Br)sc1Br 232455924 IZTOJHOFCAISIQ-IUCAKERBSA-N 460.029 5.099 50 10 JKGE O=C(NN=Cc1cn(Cc2c(F)cccc2Cl)c2ccccc12)c1c(O)ccc2ccccc12 254628339 PEJUDHOMTIQPNP-UHFFFAOYSA-N 471.919 6.105 50 10 JKGE CC(=NNC(=O)c1cc(-c2ccccc2)c(C(=O)NN=C(C)c2ccccc2)cn1)c1ccccc1 254838525 QHYOQWWXHZBDMW-UHFFFAOYSA-N 475.552 5.057 50 10 JKGE C[C@]1(CI)CC[C@@H](c2ccc(Br)c(Br)c2)O1 309418210 KZYHZFKSUQKRHD-NWDGAFQWSA-N 459.947 5.257 50 10 JKGE COc1ccncc1COc1c(Br)cc(CBr)cc1Br 312724741 IBPXUYRFXPFMKF-UHFFFAOYSA-N 465.967 5.089 50 10 JKGE C[C@@H]1CN(Cc2ccccc2)C[C@@H]1n1c(CCCl)nc2cc(Br)c(F)cc21 389869954 OZFXFSIZDRAHTG-VLIAUNLRSA-N 450.783 5.412 50 10 JKGE CN(C(=O)OC(C)(C)C)c1cccc([C@H]2CCc3ccccc3N2CCO[Si](C)(C)C(C)(C)C)c1 616667747 COTDSXSWFBUEHW-AREMUKBSSA-N 496.768 7.574 50 10 JKGE CC(C)(C)OC(=O)N1CCc2ccccc2[C@@H]1c1ccc(CO[Si](C)(C)C(C)(C)C)cc1 616675253 ANMYXGXPZMHXDW-DEOSSOPVSA-N 453.699 7.091 50 10 JKGE CC(C)(C)OC(=O)N1c2ccccc2NC[C@H]1c1ccc(CCO[Si](C)(C)C(C)(C)C)cc1 616687223 YPOAEWZTSCHIKT-DEOSSOPVSA-N 468.714 7.159 50 10 JKGE CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(Cl)cc2)ccc1OCc1ccccc1F 1083889385 MRVXBEKOFIKGTK-CPNJWEJPSA-N 450.897 6.002 50 10 JKGE COc1ccc(NC(=O)/C(C#N)=C\c2cc(Br)ccc2OCc2cccc(Cl)c2)cc1 1083900758 MEAUNXZORSZGCI-PDGQHHTCSA-N 497.776 6.236 50 10 JKGE CC(C)(C)c1ccc(OCC(=O)NN=Cc2ccc(-c3ccccc3)cc2)c(Br)c1 1084032056 LASLFDBLDOBWHA-UHFFFAOYSA-N 465.391 5.943 50 10 JKGE C[C@@H](NC(=O)COc1ccc(C=NNC(=O)c2ccc(Cl)cc2Cl)cc1)c1ccccc1 1084077734 YWBLNNIIFKLGOE-MRXNPFEDSA-N 470.356 5.014 50 10 JKGE N#C/C(=C/c1ccc(OCc2ccc(Cl)cc2)cc1)C(=O)Nc1cc(Cl)ccc1Cl 1084131396 NXHGZVZSABJQEY-BOPFTXTBSA-N 457.744 6.771 50 10 JKGE Cc1ccc(NC(=O)/C(C#N)=C/c2cc(C)n(-c3ccc(OCc4ccccc4Cl)cc3)c2C)cc1 1084179686 KBXXBDIXNPYDJH-KOEQRZSOSA-N 496.010 7.181 50 10 JKGE Cc1cc(Cl)ccc1NC(=O)C(=O)NN=Cc1cc(C)n(-c2ccc(Cl)cc2Cl)c1C 1084280816 DMZDNJQQCJIWTG-UHFFFAOYSA-N 477.779 5.452 50 10 JKGE COc1cc(C=NNC(=O)CC[C@@H](O)c2ccccc2)cc(Cl)c1OCc1ccccc1Cl 1084346179 UDZKMRSYAKPKTR-JOCHJYFZSA-N 487.383 5.545 50 10 JKGE Brc1ccc([C@H](SS[C@@H](c2ccc(Br)cc2)C2CC2)C2CC2)cc1 1614015182 BVGANFKAKICGPD-WOJBJXKFSA-N 484.322 8.195 50 10 JKGE Cc1nn(-c2ccccc2)c2c1C(=NNC(=O)C(c1ccccc1)c1ccccc1)CC(C)(C)C2 1772728273 CEVVYIFLZLFLRN-UHFFFAOYSA-N 462.597 5.806 50 10 JKGE CCOc1ccc(C=NNC(=O)CSc2nc(-c3ccc(Cl)cc3)cs2)cc1OC 1772754928 AMWDPKXEGJZJCC-UHFFFAOYSA-N 461.996 5.113 50 10 JKGE FC(F)(F)c1cc(CBr)cc(-c2c(Cl)c(Cl)c(Cl)c(Cl)c2Cl)c1 1848369634 XWVXCZSSMAUUCJ-UHFFFAOYSA-N 487.357 8.534 50 10 JKGE N#CC1=C(N)Oc2c(c(-c3ccccc3)nn2Cc2c(F)cccc2Cl)[C@H]1c1ccc(O)cc1O 1865681069 DKMCFKYQHOKMHR-QFIPXVFZSA-N 488.906 5.020 50 10 JKGE CCc1nn(Cc2ccc(Cl)c(Cl)c2)c2c1[C@H](c1ccc(N(C)C)cc1)C(C#N)=C(N)O2 1865684151 UURPGKBYQXXINU-OAQYLSRUSA-N 468.388 5.085 50 10 JKGE CCCOc1ccc([C@@H]2C(C#N)=C(N)Oc3c2c(CCC)nn3Cc2ccc(C)cc2)cc1OCC 1865688022 GSKXWEWXOZNBLW-AREMUKBSSA-N 486.616 5.598 50 10 JKGE CCCc1nn(-c2ccc(Br)cc2)c2c1[C@@H](c1ccc(OCC)cc1)C(C#N)=C(N)O2 1865692706 FECCOHDZHSJCND-NRFANRHFSA-N 479.378 5.204 50 10 JKGE CCCOc1c(OC)cccc1[C@H]1C(C#N)=C(N)Oc2c1c(C(F)(F)F)nn2Cc1ccc(C)cc1 1865693246 MOFDJEIIWSFUDE-FQEVSTJZSA-N 498.505 5.274 50 10 JKGE Cc1ccc(-n2nc(-c3ccccc3)c3c2OC(N)=C(C#N)[C@@H]3c2cc(Br)ccc2O)cc1 1865695627 FGBRMUGSPWXVAE-QFIPXVFZSA-N 499.368 5.534 50 10 JKGE COc1ccc(-n2nc(C)c3c2OC(N)=C(C#N)[C@H]3c2ccccc2OCc2ccccc2Cl)cc1 1865702846 GMEWHTRYIHCBJV-AREMUKBSSA-N 498.970 5.640 50 10 JKGE Cc1ccccc1COc1ccc([C@@H]2C(C#N)=C(N)Oc3c2c(C)nn3Cc2cccc(F)c2)cc1 1865702912 IAMQLBWSISHLDZ-HHHXNRCGSA-N 480.543 5.485 50 10 JKGE CCOC(=O)c1c(-c2ccc(C(C)C)cc2)csc1NC(=O)/C(C#N)=C/c1ccc(Cl)cc1 1866128395 PMIXMYMJXRDEJA-DEDYPNTBSA-N 479.001 6.914 50 10 JKGE CCOC(=O)c1c(NC(=O)/C(C#N)=C/c2cccc(F)c2)sc(C(=O)OC2CCCCC2)c1C 1866131532 ZKNRYUMYWVHPST-SFQUDFHCSA-N 484.549 5.408 50 10 JKGE CC(C)c1nc(Nc2ccc(SC#N)cc2)cc(N2CCN3CCc4c(F)cccc4[C@H]3C2)n1 1868231469 HVXVKFCXKIDSKV-HSZRJFAPSA-N 474.609 5.475 50 10 JKGE CCOc1ccc(-c2csc(/C(C#N)=C(\O)[C@H](C)Oc3ccc(Cl)cc3Cl)n2)cc1 1872747728 RHDRZZTVBQZZTC-ZCBJIMFGSA-N 461.370 6.776 50 10 JKGE COc1ccc(-c2csc(/C(C#N)=C(O)/C=C/c3ccc(OC(C)=O)c(OC)c3)n2)cc1F 1872752608 KWCAEMXSDPXSNC-SRJXWNLSSA-N 466.490 5.398 50 10 JKGE CCOc1ccc(-c2csc(/C(C#N)=C(\O)[C@@H](C)Oc3ccc(C(C)C)cc3)n2)c(OCC)c1 1872755521 RKUATGBKSWVVFC-FRXIXPCJSA-N 478.614 6.991 50 10 JKGE COc1ccc(-c2csc(/C(C#N)=C(\O)CCCOc3ccccc3Cl)n2)cc1Cl 1872757522 JSYAWGMLTYBWHC-CYVLTUHYSA-N 461.370 6.777 50 10 JKGE CCCOc1ccc(-c2csc(/C(C#N)=C/c3ccc(Cl)c(Cl)c3)n2)cc1OCCC 1872790242 UHYXLYHYENWMRM-WOJGMQOQSA-N 473.425 7.759 50 10 JKGE Cc1ccc(C)c(-c2csc(/C(C#N)=C/c3ccc(OCc4ccccc4Cl)cc3)n2)c1 1872790823 GUIJUTOFKCIRBL-HYARGMPZSA-N 456.998 7.724 50 10 JKGE CCc1nn(C)c(C[C@@H](Br)c2ccccc2Br)c1Br 1877163620 SLNFPJLLJJJHLR-LLVKDONJSA-N 451.000 5.186 50 10 JKGE C[C@H](CCCl)N(Cc1ccccc1)C(=O)c1scc(Br)c1Br 1915131793 AHTJKIKUAWYCDX-LLVKDONJSA-N 465.638 5.933 50 10 JKGE COc1ccc(Br)c(C(=O)N(Cc2ccccc2)C(C)(C)CBr)c1 1915756147 GXMBLCSWPALJTP-UHFFFAOYSA-N 455.190 5.274 50 10 JKGE O=C(c1ccc(Br)cc1F)N(Cc1ccccc1)C1(CBr)CCC1 1915756591 KWJQXHCSRHTFSR-UHFFFAOYSA-N 455.165 5.548 50 10 JKGE Cc1c(Br)sc([C@H](Br)c2ccc(F)c(F)c2F)c1Br 1922880079 BGWVZAZARKOEFC-MRVPVSSYSA-N 478.953 6.483 50 10 JKGE FC(F)(F)COCC[C@@H](Br)c1sc(Br)cc1Br 1922934272 DYQFKXWRSQTTRJ-RXMQYKEDSA-N 460.935 5.678 50 10 JKGE Cc1c(Br)sc([C@@H](Br)C2CC3(C2)CC3(F)F)c1Br 1922935023 LYRWPYQAHCSBPX-WINXVSCGSA-N 464.995 6.453 50 10 JKGE C[C@H](C1CCCC1)[C@@H](Cl)c1c(Br)sc(Br)c1Br 1924568291 DRYJVTSVAAGWAS-LHLIQPBNSA-N 465.476 7.142 50 10 JKGE C[C@@]1([C@@H](Br)c2c(Br)sc(Br)c2Br)CCCO1 1924579404 DZQNJYXGUPBNLC-XVKPBYJWSA-N 497.872 6.041 50 10 JKGE FC(F)(F)c1cscc1[C@@H](Br)c1c(Cl)sc(Br)c1Cl 1925560339 GCWONVNQKPBLEH-ZCFIWIBFSA-N 474.976 7.382 50 10 JKGE Brc1sc(Br)c([C@@H](Br)C[C@H]2CC23CC3)c1Br 1995403077 NLRUSURCTCKWPJ-WDSKDSINSA-N 493.884 6.662 50 10 JKGE Clc1cccc(Cl)c1C[C@H](Br)c1csc(I)c1 1998125576 JSRMKPCUIZSDOS-VIFPVBQESA-N 461.977 6.338 50 10 JKGE Cc1c(Br)sc([C@H](Br)[C@@]23COC[C@@H]2C3(F)F)c1Br 2043521472 RANFAUGPVZUMDY-BUMCKTDNSA-N 466.967 5.299 50 10 JKGE Cn1ncc2cc([C@@H](Br)c3cc(Br)sc3Br)sc21 2054801476 IAMFRQSWGFSGMU-VIFPVBQESA-N 471.037 5.706 50 10 JKGE CCn1cc(Br)c([C@H](Cl)c2ccc(Br)cc2Br)n1 2083323513 XEFQHKBTHJUAAT-LLVKDONJSA-N 457.391 5.519 50 10 JKGE O=C(N[C@@H](CBr)C1CCCCC1)c1csc(Br)c1Br 2093948206 WFCMATLQHCQZNK-JTQLQIEISA-N 474.056 5.347 50 10 JKGE Fc1cc(OCc2c(Br)cccc2Br)ccc1CBr 2094094145 YGDHWDQTUOLJBZ-UHFFFAOYSA-N 452.943 5.825 50 10 JKGE BrC[C@@H]1C[C@@H]2CCC[C@H]2N1Cc1cccc(Br)c1Br 2108391991 ODZOZLYDNFRVQG-VHRBIJSZSA-N 452.028 5.350 50 10 JKGE Brc1cc(Br)c([C@@H](Br)[C@@H]2CC3(CCCCC3)CO2)s1 2109966394 YRJMZQDZKFNGHG-JQWIXIFHSA-N 473.068 6.449 50 10 JKGE Brc1ccc(C[C@@H]2CCCCCCC[C@@H]2Br)c(Br)c1 2112483504 HOJMEKOCIMBKES-WFASDCNBSA-N 453.056 6.878 50 10 JKGE C[C@](CCl)(Nc1ncc(I)cc1Br)c1ccccc1 2133371160 HCZUJGOHTHZSGT-CQSZACIVSA-N 451.533 5.015 50 10 JKGE Cc1cc(Br)c([C@H](Br)C2(C(C)(F)F)CCC2)cc1Br 2133692719 MIEZSDMCDXEYRH-LBPRGKRZSA-N 460.982 6.782 50 10 JKGE Cc1cc(Cl)c(Br)cc1[C@@H](Br)c1ccc(F)cc1Br 2137641386 CTEGWQYOVASMFD-AWEZNQCLSA-N 471.389 6.797 50 10 JKGE FC(F)(C1CCOCC1)[C@@H](Br)c1ccc(Br)cc1Br 2138871096 MEOIEBCFNRMKJE-LBPRGKRZSA-N 462.954 5.710 50 10 JKGE CCC[C@@H]1CN(C(=O)c2cc(Br)sc2Br)C[C@H]1CBr 2140771112 NKDDJEGIBSWUBK-RKDXNWHRSA-N 474.056 5.156 50 10 JKGE Oc1nc2ccc([C@@H](Br)c3cccc(Br)c3Br)cc2o1 2148750660 NFRGFBZFSBTTGA-GFCCVEGCSA-N 461.935 5.543 50 10 JKGE CC1(C)C[C@H](Br)CCN(C(=O)c2cccc(Br)c2Br)C1 2148755097 GHEGBTHNSIZBKV-SNVBAGLBSA-N 468.027 5.237 50 10 JKGE CC1(C)CCC[C@@](CBr)(Cc2ccc(Br)cc2Br)CC1 2157076358 RMDVSKGNDNICKR-KRWDZBQOSA-N 467.083 7.126 50 10 JKGE Cc1cc(Br)c([C@H](Br)[C@H]2CCCCCC2(F)F)cc1Br 2164922378 BHWDIZYBMFDZEE-RISCZKNCSA-N 475.009 7.172 50 10 JKGE Clc1c(Br)cccc1C[C@H](CBr)Cc1ccccc1Br 2166825252 UTJJISVFUKQPNK-LLVKDONJSA-N 481.453 6.661 50 10 JKGE C[C@@H]1C[C@@H](n2c(CCl)nc3cc(I)c(F)cc32)CN(Cc2ccccc2)C1 2184261261 VLSZJSHELHTCNL-GDBMZVCRSA-N 497.783 5.602 50 10 JKGE Cc1cc(Br)c(C)c([C@@H](Br)c2cc3c(s2)CCC3)c1Br 2201071589 RPGREZGXWOFXSJ-INIZCTEOSA-N 479.075 6.863 50 10 JKGE Cc1cc(F)cc([C@@H](Br)c2c(C)c(Br)cc(C)c2Br)c1 2201072741 KKBVMJPFHQKBHK-MRXNPFEDSA-N 464.998 6.760 50 10 JKGE CC1(C)[C@H]2CC[C@@H](C2)[C@]1(CBr)Cc1ccc(I)c(Cl)c1 2208033618 QNWFRWOVTZENCZ-GDZNZVCISA-N 467.616 6.325 50 10 JKGE CC(C)(F)[C@@](C)(F)[C@H](Br)c1cc(Br)c(Br)cc1F 2218597527 MYINBXSKLIAKCO-PWSUYJOCSA-N 452.934 6.263 50 10 JKGE Cc1nn(C)c(Br)c1[C@H](Cl)c1cc(Br)c(Br)cc1F 2225615413 HCBVOZYQNAORNF-LLVKDONJSA-N 475.381 5.483 50 10 JKGE Cc1sc([C@@H](Cl)c2cc(Br)c(Br)cc2F)c(C)c1Br 2226077935 KCNAXVGPPXSYHE-LBPRGKRZSA-N 491.445 7.120 50 10 JKGE CCOc1ccc([C@H](Br)c2cc(Br)c(C)s2)c(Br)c1 2226081425 CUPVSEFXHOCZNB-AWEZNQCLSA-N 469.036 6.465 50 10 JKGE COc1c(Cl)cc(Br)cc1[C@H](Br)c1scc(Br)c1C 2226125723 NPUFBBTZKYDDOF-NSHDSACASA-N 489.454 6.728 50 10 JKGE C[C@@H]1CCC[C@H](COc2c(Br)cc(CBr)cc2Br)O1 2226837125 CTNRJJUNAZZYBX-MWLCHTKSSA-N 457.000 5.443 50 10 JKGE CC1(C)OCCO[C@@H]1[C@H](Br)c1c(Br)cc(Cl)c(Cl)c1Cl 2232513332 XBRCWOICAWEHRD-BXKDBHETSA-N 467.412 6.039 50 10 JKGE Cc1ccc([C@@H](Cl)c2csc3c(Br)cccc23)cc1I 2232833488 NJDFEGWSPQDPOJ-OAHLLOKOSA-N 477.592 6.905 50 10 JKGE CCOCc1cc(Br)c([C@@H](Br)c2cc(C)ccc2Br)s1 2233024279 VUYNUWXMUHVOCW-AWEZNQCLSA-N 483.063 6.602 50 10 JKGE COc1c(C)cc(Br)cc1[C@@H](Br)c1sc(C)c(Br)c1C 2234472436 VXUFWUOOFYJLFQ-CYBMUJFWSA-N 483.063 6.691 50 10 JKGE COc1ccc(Br)cc1[C@H](Br)Cc1ccc(Br)cc1Cl 2237451765 WKHSUHRLCAPSEJ-CYBMUJFWSA-N 483.425 6.552 50 10 JKGE Clc1ccc(I)c([C@@H](Br)c2ccc([C@@H]3CCOC3)s2)c1 2240431716 LPEXKNLSLAFSSY-RFAUZJTJSA-N 483.596 5.994 50 10 JKGE C[C@@]1(CI)CC[C@](C)(c2cc(Br)c(Br)s2)O1 2243273374 CMQHODWYKSVXDE-WDEREUQCSA-N 480.003 5.492 50 10 JKGE Cc1c(Br)sc([C@H](Br)c2cc(Br)co2)c1Br 2244211910 ZZBCFJLYPZACCR-MRVPVSSYSA-N 493.840 6.421 50 10 JKGE COc1c([C@@H](Br)c2ccc(Br)cc2Br)csc1C 2259123256 RVQMIERSDBDVAG-LBPRGKRZSA-N 455.009 6.074 50 10 JKGE COc1ccc([C@@H](Br)c2cc(C)ccc2Br)cc1I 2269550398 ZMTKOKXPOFXBAV-OAHLLOKOSA-N 495.980 5.855 50 10 JKGE Fc1cc(Br)c(F)c(Br)c1[C@@H](Br)C12CC(CCO1)C2 2272847443 NIMGPWAAZTVVFN-SKPUXYCPSA-N 460.938 5.495 50 10 JKGE Clc1ccc(Br)cc1CO[C@H](CI)c1ccccc1 2277807526 WZUOLSWJBCWNDN-OAHLLOKOSA-N 451.529 5.795 50 10 JKGE Brc1cc(Br)cc(C[C@H](Br)C2C[C@H]3CC[C@H](C2)C3)c1 2277945945 AHFBSIWZGFEGLC-MMPTUQATSA-N 451.040 6.344 50 10 JKGE Brc1cc(Br)cc(C[C@@H](Br)c2cc3c(s2)CCC3)c1 2277959756 BJGXWRJUQBTXPL-CYBMUJFWSA-N 465.048 6.441 50 10 JKGE CCOC(=O)C(C#N)=Cc1cc(Br)ccc1OCCOc1ccc(C(C)(C)C)cc1 2293993130 HTAQQOGUMJNEQK-UHFFFAOYSA-N 472.379 5.674 50 10 JKGE CC(C)c1ccc([C@H](Br)Cc2cc(Br)cc(Br)c2)cc1 2295275558 WCTJBZDJSNDJNK-QGZVFWFLSA-N 461.035 7.014 50 10 JKGE Fc1cc(Br)cc(F)c1[C@H](Cl)c1cc2sc(Br)cc2s1 2295505247 ZYFFRRNMGJJURL-CYBMUJFWSA-N 458.574 7.094 50 10 JKGE CCCCOc1ccc(C=C(C#N)c2nc(-c3cc4ccccc4oc3=O)cs2)cc1OC 2296834422 KHTDBRQKEIUNOF-UHFFFAOYSA-N 458.539 6.168 50 10 JKGE CCOC(=O)c1c(NC=C(C#N)c2nc(-c3ccc(C)cc3)cs2)sc(C(C)=O)c1C 2297466325 QACKJLUTYLKGIR-UHFFFAOYSA-N 451.573 5.844 50 10 JKGE COc1c(Br)cc(C)c([C@H](Br)[C@H]2C[C@H]2Br)c1Br 2301502711 OQHBYSCRJBAUDO-NYNCVSEMSA-N 491.843 5.748 50 10 JKGE COc1cc(C=C(C#N)C(=O)Nc2ccc(C)cc2)cc(Br)c1OCc1ccc(C)cc1 2313518910 ZBVYOXLFIHKWCJ-UHFFFAOYSA-N 491.385 6.199 50 10 JKGE Fc1cc(Cl)c(Br)c(Cl)c1[C@@H](Cl)c1cc(Br)cs1 2313747673 AXDCYPUZOVAYCM-JTQLQIEISA-N 453.385 7.047 50 10 JKGE CC(C)[C@@H]1CCC[C@H]1[C@@H](Br)c1cc(Br)ccc1OCc1ccccc1 2314440375 PACFPVQXWPDENT-NNMXDRDESA-N 466.257 7.536 50 10 JKGE Clc1ccccc1C[C@H](Br)c1cc(Br)ccc1OCc1ccccc1 2314447898 CLTDETYSGZFPNY-IBGZPJMESA-N 480.627 7.360 50 10 JKGE CCc1ccc(C[C@@H]2SC(=C(C#N)C(=O)Nc3cccc(C)c3)N(c3ccc(CC)cc3)C2=O)cc1 2314592380 SCGJEEUNFXQNQC-MHZLTWQESA-N 495.648 6.185 50 10 JKGE Cn1nc(Br)c(Br)c1[C@@H](Br)c1ccc(Cl)cc1Cl 2316832121 GOJBBHMXAIQFMS-QMMMGPOBSA-N 477.809 5.736 50 10 JKGE COc1cc(C=C(C#N)n2cnc3ccccc32)cc(Br)c1OCc1ccccc1 2331032892 XPGOGYKOZQNLKC-UHFFFAOYSA-N 460.331 5.908 50 10 JKGE CCOc1ccc(-c2csc(C(C#N)=C(O)CCCOc3ccc4ccccc4c3)n2)cc1 2331305616 ZASPQIWECZASJQ-UHFFFAOYSA-N 456.567 7.014 50 10 JKGE N#CC(=C(O)c1ccc2c(c1)C(=O)N(C1CCCCC1)C2=O)c1nc(-c2ccc(Cl)s2)cs1 2331400705 LCOCVYDUOAJMSS-UHFFFAOYSA-N 496.013 6.404 50 10 JKGE Fc1c(Br)cc(Cl)c([C@H](Br)C[C@@]23CCC[C@H]2C3)c1Br 2337085872 FDKDJCVKAWOMKQ-KEMSKJLVSA-N 475.421 7.020 50 10 JKGE COc1c(Br)cc(C)c([C@H](Cl)c2sccc2Br)c1Br 2339639692 PFAYSXMSBWRXCU-NSHDSACASA-N 489.454 6.681 50 10 JKGE Cc1cc(Br)c(F)c(Br)c1[C@@H](Br)CC[C@H]1CCOC1 2339652203 XBYYCUJPACDCMM-UWVGGRQHSA-N 458.991 5.912 50 10 JKGE Clc1cc(Cl)cc(CC[C@H](Cl)c2sc(Br)cc2Br)c1 2341117054 QRUSUJDFRRNLGB-NSHDSACASA-N 463.449 7.493 50 10 JKGE BrCC(CBr)(C[C@H]1C[C@@H]2CC[C@H]1O2)c1ccccc1Br 2354997340 ARKFGNHVHSPILX-TYNCELHUSA-N 467.039 5.434 50 10 JKGE Cc1cc(Br)c(F)c(Br)c1[C@H](Br)[C@@H]1[C@H](C)O[C@H](C)[C@H]1C 2365180703 STKHPQPAJCJPHF-KOOJSXSQSA-N 473.018 6.155 50 10 JKGE COc1c(Br)cc(C)c([C@H](Br)[C@@H]2C[C@]23CCOC3)c1Br 2365190908 JKOAXJQNBPHJEV-UAKXVISKSA-N 469.011 5.391 50 10 JKGE Cc1c(N(C)Cc2c(Br)cccc2Br)ccnc1CBr 2366161557 PDRUZUZOMDDOQV-UHFFFAOYSA-N 463.011 5.446 50 10 JKGE Cc1occc1C(=O)N/N=C/C1=C(N2CCOCC2)/C(=C\c2ccc(Cl)cc2Cl)CC1 8801780 CPPSAVGMLCEKFA-LHHGBPNOSA-N 460.361 5.074 50 10 JKGE CCCCCCOc1ccc(C(=O)NNC(=O)COc2ccc3ccccc3c2Br)cc1 14025420 JWTLXPFAYLQYRA-UHFFFAOYSA-N 499.405 5.401 50 10 JKGE COc1cc(/C=C(/C#N)c2ccccc2)ccc1OC(=O)/C=C/c1ccc(Cl)cc1Cl 31901894 HFPNUJJQGOKSAX-RDVIPMJXSA-N 450.321 6.685 50 10 JKGE COc1ccc(/C(C#N)=C\c2ccc(OC(=O)c3cccc(Br)c3)c(OC)c2)cc1OC 31902043 VRNFMFMLJCBXSU-ODLFYWEKSA-N 494.341 5.758 50 10 JKGE CC(C)(C)c1ccc([C@@H]2C[C@@H]2C(=O)N/N=C/c2ccc(-c3cccc(Br)c3)o2)cc1 33928190 YXCXWNFOMCGJQR-GYJSOHOCSA-N 465.391 6.260 50 10 JKGE COc1ccccc1NC(=O)/C(C#N)=C1/S[C@@H](Cc2ccccc2Cl)C(=O)N1c1ccccc1 34871786 IKFYEXXIPNLNKR-GJFYNSNLSA-N 489.984 5.414 50 10 JKGE N#CC1=C(N)Oc2cc(OC(=O)c3ccc(Cl)cc3)ccc2[C@@H]1c1ccccc1Br 38678509 URUAPEVANJGHMB-NRFANRHFSA-N 481.733 5.540 50 10 JKGE Cc1ccccc1OCC(=O)Oc1ccc2c(c1)OC(N)=C(C#N)[C@H]2c1c(Cl)cccc1Cl 38679585 ODVPAPLXEJAZBT-QHCPKHFHSA-N 481.335 5.504 50 10 JKGE CCCCCOc1ccc(/C=C2/C(=O)N(C3CCCCC3)C(=O)C(C#N)=C2C)cc1OCC 40514615 KUTRHXQLZLRFIP-CJLVFECKSA-N 450.579 5.579 50 10 JKGE O=C(CSc1c(Cl)c(Cl)c(Cl)c(Cl)c1Cl)N/N=C/c1ccc(O)cc1 59159821 CJIYTQAZWJCEML-IGCPIRJNSA-N 458.581 5.902 50 10 JKGE COc1cc(/C=C(/C#N)c2nc3cc(C(F)(F)F)ccc3s2)c([N+](=O)[O-])cc1OC(F)F 62632901 VUXMICNRLBNIAN-WMZJFQQLSA-N 471.363 5.897 50 10 JKGE C/C(=N/NC(=O)c1ccc(-n2c(C)ccc2C)cc1)c1ccc2c(c1)Nc1ccccc1S2 89652268 QVODVDYXDYJZFX-CEUNXORHSA-N 452.583 6.456 50 10 JKGE N#C/C(C(=O)NCCc1ccccc1)=C1\S[C@@H](Cc2ccccc2)C(=O)N1c1ccc(Cl)cc1 102974541 KTLGVDOVRJBEPI-BSSRNLCFSA-N 488.012 5.125 50 10 JKGE CCOc1ccc(Br)cc1[C@@H](Cl)c1cc(Br)c(Br)s1 128853886 PUWIOHDWGHHJAB-GFCCVEGCSA-N 489.454 6.763 50 10 JKGE CCOC(=O)/C(C#N)=C\c1cccc(OC(=O)/C=C\c2ccc(OCc3ccccc3C)c(OC)c2)c1 206692015 XVNXBMAFIPPIMW-SVAYBIAMSA-N 497.547 5.672 50 10 JKGE Brc1ccc(C[C@H](Br)c2cc(Br)cc3c2OCC3)cc1 228445176 ITEOWKINJAXKMP-HNNXBMFYSA-N 460.991 5.825 50 10 JKGE N#C/C(=C/Nc1ccccc1Cl)C(=O)N1CCN(C(c2ccccc2)c2ccccc2)CC1 253321450 VFNHIECQHIPUAP-ATJXCDBQSA-N 456.977 5.093 50 10 JKGE O=C(CCCNc1ccc(Br)cc1)NN=C(CCc1ccccc1)CCc1ccccc1 253563121 FBRZYFDEVDHFNM-UHFFFAOYSA-N 492.461 6.379 50 10 JKGE CCCCOc1ccc(Br)cc1C=NNC(=O)[C@H](C)Sc1nc2ccccc2s1 254308889 MMRPNCPVIGKLIU-AWEZNQCLSA-N 492.464 5.869 50 10 JKGE Cc1ccc(Cn2c(SCC(=O)NN=C/C=C\c3ccccc3[N+](=O)[O-])nc3ccccc32)cc1 254387023 LOFUCTFQKBZJJM-BXQPIBQHSA-N 485.569 5.209 50 10 JKGE O=C(NN=Cc1ccc(OC(=O)c2ccccc2F)cc1)c1ccc(OCc2ccccc2)cc1 254763516 KJMTWLWUDMOJCN-UHFFFAOYSA-N 468.484 5.388 50 10 JKGE CCCCCOc1ccc(C=NNC(=O)Nc2sc3c(c2C(=O)OCC)CCC3)cc1OC 256017277 BNFHLNISPBAUFM-UHFFFAOYSA-N 473.595 5.147 50 10 JKGE C[C@H]1CCC[C@@H](CC(CBr)(CBr)c2ccccc2Br)C1 312525565 JCEQALNOCISPBT-UONOGXRCSA-N 467.083 6.693 50 10 JKGE CCOc1cc(CBr)cc(Br)c1OCc1ccc(Br)o1 378982812 UMMKCYNTQVUPLB-UHFFFAOYSA-N 468.967 5.677 50 10 JKGE BrC[C@@H]1CN(Cc2ccccc2)C[C@H]1c1cc(Br)cc(Br)c1 382740676 ZHAOOWCOOKMGKI-QAPCUYQASA-N 488.061 5.822 50 10 JKGE COc1cc2c(cc1F)nc([C@H](C)Cl)n2CCCN(Cc1ccccc1)Cc1ccccc1 390471881 CDNFPZXEGHXZSN-FQEVSTJZSA-N 466.000 6.576 50 10 JKGE Fc1ccccc1COc1c(Br)cc(Br)cc1CBr 394043236 AZVOLDHELMJFLI-UHFFFAOYSA-N 452.943 5.825 50 10 JKGE Fc1cc(Br)c([C@H](Br)c2cccc(Br)c2Cl)c(F)c1F 398745201 UAXOWKQFPJONEN-SNVBAGLBSA-N 493.342 6.767 50 10 JKGE CC(C)(C)OC(=O)Nc1ccc([C@@H]2CNc3ccccc3N2CCO[Si](C)(C)C(C)(C)C)cc1 616687215 YFPSCZGJLRTPKW-DEOSSOPVSA-N 483.729 7.029 50 10 JKGE COC1CCC(Oc2c(Br)cc(CBr)cc2Br)CC1 686319846 SEYQBDLUYQOKSF-UHFFFAOYSA-N 457.000 5.443 50 10 JKGE COC1CCC(C(CBr)(CBr)c2cccc(Br)c2)CC1 686330392 VARSMOYUFAQCTA-UHFFFAOYSA-N 469.055 5.682 50 10 JKGE COCc1cc(Br)c([C@@H](Cl)c2cc(Br)ccc2Br)s1 688079320 OEDXLOVAYWDSFF-LBPRGKRZSA-N 489.454 6.510 50 10 JKGE Brc1cc2c(c([C@@H](Br)c3coc(Br)c3)c1)OCCC2 688384423 PRXJEZPRYGIMFG-ZDUSSCGKSA-N 450.952 5.614 50 10 JKGE Fc1cc(Br)ccc1C[C@@H](Br)c1cc(Cl)c(Br)cc1F 692792289 HUAXLRQBTXRWJV-SNVBAGLBSA-N 489.379 6.822 50 10 JKGE Cc1cc(Br)c([C@H](Br)c2cc(C)c(F)c(C)c2)cc1Br 702237447 XUIIUDCDGBFYIG-OAHLLOKOSA-N 464.998 6.760 50 10 JKGE C[C@@H](CC(C)(C)C)CC(CBr)(CBr)c1cccc(Br)c1 709071764 SKCUAGWYSLNLMP-ZDUSSCGKSA-N 469.099 6.939 50 10 JKGE Cc1cccc(C(CBr)(CBr)C[C@@H](C)COCc2ccccc2)c1 719446338 ZLYJBDODIGGGHZ-GOSISDBHSA-N 454.246 6.266 50 10 JKGE COc1cc(/C=C(\C#N)C(=O)Nc2ccc(F)cc2)ccc1OCc1c(Cl)cccc1Cl 1084377953 ASGNTVQYQAAKSV-LFIBNONCSA-N 471.315 6.266 50 10 JKGE CCc1ccc(NC(=O)/C(C#N)=C\c2cc(Br)ccc2OCc2ccc(C)cc2)cc1 1084382541 MNXGANKCJLHCHD-HMAPJEAMSA-N 475.386 6.445 50 10 JKGE CCOc1ccc([C@@H](O)CCC(=O)NN=Cc2ccc(OCc3ccc(Cl)cc3)c(OC)c2)cc1 1084578855 KMDNTLDUZDFEHN-DEOSSOPVSA-N 496.991 5.290 50 10 JKGE Cc1ccc(CSCC(=O)NN=Cc2c(Br)c(C)n(-c3ccccc3C)c2C)cc1 1084657449 ZYIZCALEBFQAAV-UHFFFAOYSA-N 484.463 5.857 50 10 JKGE CCCCCOc1ccc([C@H]2C(C#N)=C(N)Oc3c2c(CCC)nn3Cc2cccc(F)c2)cc1 1865690347 OZYSYCDFMQSWNK-VWLOTQADSA-N 474.580 5.810 50 10 JKGE CCCOc1cccc([C@H]2C(C#N)=C(N)Oc3c2c(CCC)nn3Cc2cccc(Cl)c2)c1 1865694485 WEUSKYBHMMSGAR-QHCPKHFHSA-N 462.981 5.544 50 10 JKGE CCCCCCOc1ccc([C@@H]2C(C#N)=C(N)Oc3c2c(C)nn3Cc2cccc(F)c2)cc1OC 1865695456 CUQJABAPQRDBLU-AREMUKBSSA-N 490.579 5.565 50 10 JKGE COc1ccc(-c2nn(-c3ccc(Cl)c(Cl)c3)c3c2[C@@H](c2ccncc2)C(C#N)=C(N)O3)cc1 1865701666 BDIYTPXCXVFFGD-NRFANRHFSA-N 490.350 5.468 50 10 JKGE COc1ccc(-c2nn(-c3ccc(C)cc3)c3c2[C@@H](c2ccc(F)cc2)C(C#N)=C(N)O3)cc1 1865707889 IQZQBHXQMVCFSX-QHCPKHFHSA-N 452.489 5.214 50 10 JKGE COc1ccc([C@@H]2C(C#N)=C(N)Oc3c2c(-c2ccccc2)nn3Cc2cc(C)ccc2C)c(OC)c1 1865708164 PPPNLNDDQMOMLO-AREMUKBSSA-N 492.579 5.451 50 10 JKGE CCCn1nc(-c2ccc(OC)cc2)c2c1OC(N)=C(C#N)[C@H]2c1ccc(C(F)(F)F)cc1 1865711493 ZSFWFPUHZIRSKR-LJQANCHMSA-N 454.452 5.206 50 10 JKGE CCc1ccc(-c2ccc(C(=O)NNC(=O)[C@H](Cc3ccccc3)c3ccccc3)c(C)n2)cc1 1865758652 LEYXJJVIPJTSBO-HHHXNRCGSA-N 463.581 5.407 50 10 JKGE Cc1ccc(/C=C(\C#N)C(=O)Nc2c(Br)cc(Br)cc2Br)cc1 1866127045 FEOCUDXRTZMGLX-WUXMJOGZSA-N 499.000 5.828 50 10 JKGE Cc1[nH]nc(C(=O)N[C@H](C(=O)Nc2ccc(SC#N)cc2)c2ccccc2)c1-c1ccccc1 1867275645 AXVKDDGWSBQXOD-QHCPKHFHSA-N 467.554 5.068 50 10 JKGE Cc1c(OCc2cccc(CCl)c2)ccc2c1O/C(=C\c1c(Cl)cccc1Cl)C2=O 1871437171 KVEUYPLQDZCPGP-JJFYIABZSA-N 459.756 7.236 50 10 JKGE CCCCCCOc1ccc(/C(O)=C(\C#N)c2nc(-c3cccc(Br)c3)cs2)cc1 1872746123 SZNBIZRTUAHXEG-LNVKXUELSA-N 483.431 7.482 50 10 JKGE COc1ccc(Cl)cc1N1C[C@H](/C(O)=C(\C#N)c2nc(-c3ccc(Cl)cc3)cs2)CC1=O 1872748241 OSEYRCCEYQGLHH-CHOFAJOMSA-N 486.380 5.971 50 10 JKGE CC(C)[C@@H](/C(O)=C(\C#N)c1nc(-c2ccc(C(C)(C)C)cc2)cs1)N1C(=O)c2ccccc2C1=O 1872751191 WAGFRPATHVDMRC-HHUUSFLGSA-N 485.609 6.221 50 10 JKGE CCOc1ccc(-c2csc(/C(C#N)=C(\O)c3ccc(OCC(C)C)cc3)n2)c(OCC)c1 1872755298 HMFJMLDDCWXETN-LVWGJNHUSA-N 464.587 6.592 50 10 JKGE COc1cc(/C=C(\C#N)c2nc(-c3cccc([N+](=O)[O-])c3)cs2)ccc1OC(=O)c1ccccc1 1872782330 DWLAICMFPNKFGV-UDWIEESQSA-N 483.505 6.010 50 10 JKGE CCCOc1ccc(-c2csc(/C(C#N)=C(O)/C=C\c3ccc(Cl)cc3)n2)cc1OCCC 1872818201 ROAXPTMISQRDNI-ZVPAZARBSA-N 481.017 7.547 50 10 JKGE CC(C)(C)c1ccc(OCCC/C(O)=C(\C#N)c2nc(-c3ccc(F)cc3F)cs2)cc1 1872818214 SHLHBFRLSSUOJM-ATJXCDBQSA-N 454.542 7.038 50 10 JKGE CCCOc1ccc(-c2csc(/C(C#N)=C(\O)c3ccc([N+](=O)[O-])cc3)n2)cc1OCCC 1872818279 VHLKQIWCTFEUGC-NMWGTECJSA-N 465.531 6.246 50 10 JKGE Cl[C@H](c1c(Br)sc(Br)c1Br)[C@@H]1CCC[C@@H]2C[C@@H]21 1905657254 FIOYWBWVBUAXBI-JQCUSGDOSA-N 463.460 6.752 50 10 JKGE Cc1c(Br)sc([C@H](Br)C(C(F)(F)F)C(F)(F)F)c1Br 1922880931 GSBIVZKBNMEMRV-BYPYZUCNSA-N 498.906 6.758 50 10 JKGE Cc1c(Br)sc([C@@H](Br)[C@@H](C)CC(F)(F)F)c1Br 1922894474 LMUXDBJKLZYZHR-NJGYIYPDSA-N 458.963 6.606 50 10 JKGE CC1(C)C[C@@]1(C)[C@@H](Br)c1c(Br)sc(Br)c1Cl 1923055109 OXGGZECGTDQXLO-CPCISQLKSA-N 451.449 6.799 50 10 JKGE C[C@H](c1ccncc1Br)[C@H](Cl)c1ccc(Br)cc1Br 1924044133 SUQRQIVCLXJSST-CLAHSXSESA-N 468.414 6.453 50 10 JKGE Fc1cc([C@H](Cl)c2c(Br)sc(Br)c2Br)ccc1Cl 1924589448 CBGKNPVGYJIYCT-VIFPVBQESA-N 497.836 7.156 50 10 JKGE Clc1cc(Br)ccc1[C@@H](Cl)c1c(Cl)sc(Br)c1Cl 1925590414 XTIBYXXKTFIIPC-MRVPVSSYSA-N 469.840 7.562 50 10 JKGE Brc1csc([C@@H](Br)c2cc3sccc3s2)c1Br 2025261521 NGLKCIMSXXTHKY-JTQLQIEISA-N 473.074 7.034 50 10 JKGE CS(=O)(=O)c1sccc1[C@H](Br)c1cc(Br)sc1Br 2033134189 DDMRDBUUVKEMBP-QMMMGPOBSA-N 495.077 5.222 50 10 JKGE FC1(F)CCOC[C@H]1[C@@H](Br)c1c(Br)sc(Br)c1Cl 2047875383 SZJLHFLITZLJRI-UJURSFKZSA-N 489.401 6.034 50 10 JKGE CC1(C)C[C@H](Br)CCN1C(=O)c1csc(Br)c1Br 2050641933 SORGOLQDLPCJKZ-SSDOTTSWSA-N 460.029 5.051 50 10 JKGE COC(=O)CC[C@H](C)[C@@H]1CC[C@H]2[C@@H]3C(=O)C[C@H]4C[C@@H](O[Si](C)(C)C)CC[C@]4(C)[C@H]3CC[C@]12C 2054325761 FYICTKZKCGJHMG-CPKJFZDOSA-N 476.774 6.634 50 10 JKGE Cc1nn(C)c([C@H](Br)c2sc(C)c(Br)c2C)c1Br 2072299675 ANEBOOHPAMVYKD-JTQLQIEISA-N 457.029 5.416 50 10 JKGE Clc1cccc(OCc2cccc(Br)c2Br)c1CBr 2092330714 MDMSCDYEXUXUDA-UHFFFAOYSA-N 469.398 6.339 50 10 JKGE CCC[C@@H]1CC[C@H](Br)[C@H](Cc2cccc(Br)c2Br)C1 2092334253 GTSFIWQZEFGSQN-XBFCOCLRSA-N 453.056 6.734 50 10 JKGE CCn1ncc(Br)c1[C@H](Br)c1cc(F)c(Br)cc1F 2094271647 RAFYTUZQPDXZAT-LLVKDONJSA-N 458.926 5.191 50 10 JKGE Brc1ccccc1C[C@@H](Br)c1cc(C2CC2)c(Br)s1 2094668492 ICVDBWCCLCKYFZ-CYBMUJFWSA-N 465.048 6.829 50 10 JKGE Cc1c(Br)sc([C@H](Cl)c2ccsc2C(F)(F)F)c1Br 2101412479 BKGBEXLSWIVCSP-SSDOTTSWSA-N 454.558 6.990 50 10 JKGE O=C(NC1(CBr)CC2(CCC2)C1)c1scc(Br)c1Br 2107264020 POUUTGJFAZEYPM-UHFFFAOYSA-N 472.040 5.101 50 10 JKGE Cc1cc(Br)c(CBr)c(Oc2cccc(Br)c2F)c1 2116825684 HXFBJKIBTBEJCG-UHFFFAOYSA-N 452.943 6.346 50 10 JKGE FC1(F)C2(CC2)C12CC([C@@H](Br)c1sc(Br)cc1Br)C2 2127498844 DWZQPNBQIBZLOC-ATZMEGNHSA-N 477.006 6.535 50 10 JKGE CC1(C)CCCN(Cc2cc(Br)ccc2Br)[C@@H]1CBr 2129322691 AZBUVHJBLUSQHR-CQSZACIVSA-N 454.044 5.597 50 10 JKGE Brc1cc(Br)c([C@H](Br)[C@H]2C[C@@H]2C2CCCCCC2)s1 2135277291 GBIVTQKOYRHIMG-UHIISALHSA-N 471.096 7.316 50 10 JKGE Cc1c(Br)ccc([C@@H](Br)C2CC3(C2)CC3(F)F)c1Br 2138873358 OZBBVMVLERKZRL-CXJYDNQRSA-N 458.966 6.391 50 10 JKGE CC(C)(C)OC(=O)NCC[C@H](N(C[C@H](CBr)CC1CC1)C1CC1)C(F)(F)F 2169162125 LDJHYJQFVKDYBQ-HOCLYGCPSA-N 457.375 5.108 50 10 JKGE CCCCO[C@@H]1[C@@H](Cl)C[C@@H]1Oc1c(Br)cc(Br)cc1Br 2175005419 ZXOVYPKCJKOKFX-SGMGOOAPSA-N 491.445 5.918 50 10 JKGE Brc1cc([C@H](Br)c2cc3c(cc2Br)OCCCO3)ns1 2176540226 ULPJITUZTPBILD-CYBMUJFWSA-N 484.007 5.314 50 10 JKGE C[C@@H](c1cccs1)N(Cc1ccccc1)c1ccc(C(F)(F)F)c(CBr)c1 2181260081 LSTZHSSSFDPXLR-HNNXBMFYSA-N 454.355 7.430 50 10 JKGE CC(C)(C)OC(=O)N1CCC(CI)(OC[C@@H]2C[C@H]2C2CCCCCC2)CC1 2200761015 QCXJGMCVBCYFGN-OALUTQOASA-N 491.454 5.814 50 10 JKGE Cc1cc(Br)c(C)c([C@H](Cl)c2cc(F)cc(Br)c2)c1Br 2201079217 RCUVVKSXACCELL-OAHLLOKOSA-N 485.416 7.058 50 10 JKGE C[C@H]1C[C@H](c2sc(Br)c(Br)c2Br)C[C@H](Br)C1 2212200179 KCOSNPQHIHMNKK-LYFYHCNISA-N 495.900 6.703 50 10 JKGE CCc1cc(Br)c([C@@H](Cl)c2ccc(C)c(I)c2)s1 2217865915 HEJUYOYXPIAJJQ-ZDUSSCGKSA-N 455.586 6.314 50 10 JKGE Brc1ccc([C@@H](Br)[C@@H]2C[C@H]3CCC[C@H](C3)C2)c(Br)c1 2225319220 TZQJYVOCVLBAEK-LGSVPQMISA-N 451.040 6.864 50 10 JKGE Cc1cc(Br)c([C@H](Br)[C@H]2CCCC23CC3)c(C)c1Br 2227359054 DXPONJHHKWPQSQ-IAQYHMDHSA-N 451.040 6.845 50 10 JKGE Fc1cc(F)c([C@H](Br)c2cc(Cl)sc2Cl)c(F)c1Br 2227806576 IRQGRWCQIIIOEY-MRVPVSSYSA-N 454.920 6.719 50 10 JKGE COc1ccccc1[C@H](Br)c1c(Br)cc(Cl)c(Cl)c1Cl 2232510658 HQCWRHJNPXMMEA-LBPRGKRZSA-N 459.392 6.902 50 10 JKGE Fc1cc(Br)c(Br)cc1[C@H](Br)[C@H]1COc2ccccc21 2233978291 ZWNSJQRMOVLJQK-BONVTDFDSA-N 464.954 5.963 50 10 JKGE COC1(C[C@@H](Br)c2c(Br)cc(C)c(Br)c2C)CCCC1 2235601864 BMJDSBDRTQAILX-CYBMUJFWSA-N 469.055 6.614 50 10 JKGE COCc1csc([C@@H](Br)c2c(Br)cc(C)c(Br)c2C)c1 2235612312 NTKSPXAEJAOPHU-OAHLLOKOSA-N 483.063 6.521 50 10 JKGE Cc1cc(Br)c([C@@H](Cl)c2cc(Br)co2)c(C)c1Br 2258146340 HXHWHUHBCPOIPX-ZDUSSCGKSA-N 457.387 6.512 50 10 JKGE COc1ccc([C@@H](Br)c2cc(F)cc(Br)c2)cc1I 2269554806 GSHBSUPZFPKCJP-CQSZACIVSA-N 499.943 5.686 50 10 JKGE COc1c(C)cc(Br)c(C)c1[C@@H](Br)c1cocc1Br 2270463423 IRQJTAWDYCIQKH-ZDUSSCGKSA-N 452.968 5.914 50 10 JKGE CCCC1CC([C@H](Br)c2c(F)cc(Br)c(F)c2Br)C1 2272722094 POHCHLBCVDYDSL-TYAJBCFHSA-N 460.982 6.752 50 10 JKGE Cc1cc(C(F)(F)F)sc1[C@H](Cl)c1cc(Br)c(Br)s1 2277878989 LIALCZYPUIRDTP-MRVPVSSYSA-N 454.558 6.990 50 10 JKGE COc1cc(Cl)c(Cl)cc1[C@@H](Br)c1ccc(C)c(I)c1 2279048907 ZCOOVFYZYTUDPL-HNNXBMFYSA-N 485.974 6.399 50 10 JKGE CCOc1cc(Cl)c([C@H](Br)c2scc(Br)c2Cl)cc1Cl 2279288829 WZMCAWBRWBOFEY-NSHDSACASA-N 479.448 7.354 50 10 JKGE CC1(C)C[C@H](NC(=O)c2ccc(Cl)c(I)c2)C[C@H](Br)C1 2283669903 QOKVZZNXXBUNCZ-WDEREUQCSA-N 470.576 5.017 50 10 JKGE COc1cc(C=C(C#N)c2ccc(Br)cc2)c(Br)cc1OCc1ccccc1 2293420546 LFNXCOQXALHBOE-UHFFFAOYSA-N 499.202 6.863 50 10 JKGE Brc1cc(Br)cc(C[C@H](Br)c2ccc3c(c2)CCC3)c1 2295273751 BOADAALURWTWHW-KRWDZBQOSA-N 459.019 6.379 50 10 JKGE N#CC(=Cc1ccc(-c2ccc(Cl)c(Cl)c2)o1)c1nc2cc(Br)cnc2[nH]1 2295464506 WAQKFVIQEJVSIF-UHFFFAOYSA-N 460.118 6.351 50 10 JKGE CCOC(=O)c1c(NC(=O)C(C#N)=Cc2cccn2-c2ccc([N+](=O)[O-])cc2)sc2c1CCCC2 2296818111 LNNGVSQUKAWUFP-UHFFFAOYSA-N 490.541 5.048 50 10 JKGE Brc1ccc(OCc2ccccc2)c([C@H](Br)[C@H]2[C@@H]3CCCO[C@@H]32)c1 2299490492 ZBSJQMNJTKBSOF-LDTOTXGLSA-N 452.186 5.889 50 10 JKGE CC(C)(C)OC(=O)N1C[C@H](I)[C@H](OCc2cc(F)c(Cl)cc2Cl)C1 2306242652 BEBSOVJNVRHOSU-UONOGXRCSA-N 490.140 5.072 50 10 JKGE CCOc1ccc(NC(=O)C(C#N)=Cc2ccc(OCc3ccc(Cl)c(Cl)c3)c(OC)c2)cc1 2313670773 VSMXMEOPVBIVDV-UHFFFAOYSA-N 497.378 6.525 50 10 JKGE Cc1c(Cl)cccc1NC(=O)C(C#N)=Cc1cc(Cl)ccc1OCc1cccc(Cl)c1 2313671182 NSZPIHRYDBBBCE-UHFFFAOYSA-N 471.771 7.080 50 10 JKGE C[C@H]1Oc2ccccc2C=C1C=C(C#N)c1nc(-c2cccs2)c(NC(=O)c2ccccc2)s1 2314433129 KEEPPOLGIKTUIO-QGZVFWFLSA-N 481.602 6.895 50 10 JKGE C[C@@H]1C[C@@H]2C[C@@H]2C[C@H]1[C@H](Br)c1ccc(OCc2ccccc2)cc1Br 2314438871 CIDZIPKUWZRAIR-CRPJPYKISA-N 464.241 7.146 50 10 JKGE CCC1CCC([C@@H](Br)c2ccc(OCc3ccccc3)cc2Br)CC1 2314449591 RDSAJNUKFFHZBM-CWZMJNCASA-N 466.257 7.681 50 10 JKGE N#CC(=Cc1ccc(OC(=O)C=Cc2ccco2)cc1)c1nc(-c2ccc3ccccc3c2)cs1 2314548607 CMETZRLOQNGOOP-UHFFFAOYSA-N 474.541 7.239 50 10 JKGE CCCCCCN1C(=O)C(=Cc2ccc(-c3ccc(Cl)cc3Cl)o2)C(C)=C(C#N)C1=O 2314610818 MRFMFKIWOBISFM-UHFFFAOYSA-N 457.357 6.426 50 10 JKGE CC1=C(C#N)C(=O)N(Cc2ccc3c(c2)OCO3)C(=O)C1=Cc1ccc(OCc2ccc(C)cc2)cc1 2314617400 XPEZRUDTCGPLTQ-UHFFFAOYSA-N 492.531 5.095 50 10 JKGE N#CC1=C(N)Oc2cc(OC(=O)C=Cc3ccccc3)ccc2[C@@H]1c1ccccc1Br 2314634493 ZPWQAHZHAUPIAO-DEOSSOPVSA-N 473.326 5.286 50 10 JKGE COc1cc(C=C(C#N)c2nc3ccccc3n2C)cc([N+](=O)[O-])c1OCc1ccccc1C 2318417716 DAHCMLZGZLXVID-UHFFFAOYSA-N 454.486 5.442 50 10 JKGE CC(C)c1cccc([C@@H](Br)c2cc(Br)sc2Br)c1 2320572946 GXDAEXHFRDOVMN-CYBMUJFWSA-N 453.037 6.881 50 10 JKGE CC[C@H](NC(=O)C(C#N)=CNc1ccc(Br)c(C)c1)c1ccc2c(c1)CCCC2 2325092986 QSCMBFQOMGOSFS-QHCPKHFHSA-N 452.396 5.723 50 10 JKGE CC[C@@H](C)[C@H](C(O)=C(C#N)c1nc(-c2cccc([N+](=O)[O-])c2)cs1)N1C(=O)c2ccccc2C1=O 2331236552 FAGARHMUTLNAEL-SPLOXXLWSA-N 488.525 5.222 50 10 JKGE Cc1cc(OCC(O)=C(C#N)c2nc(-c3cccc(Br)c3)cs2)ccc1Cl 2331278909 RWRHRXVYYUUZPG-UHFFFAOYSA-N 461.768 6.406 50 10 JKGE CCCCCCCOc1ccc(-c2csc(C(C#N)=C(O)[C@@H]3CC(=O)N(C(C)(C)C)C3)n2)cc1 2331345519 QNVHYRCNTFIQLC-HXUWFJFHSA-N 481.662 6.599 50 10 JKGE CCOc1ccc(-c2csc(C(C#N)=C(O)COc3cc(Cl)ccc3Cl)n2)c(OCC)c1 2331386472 CGAPKIPIYWUNFX-UHFFFAOYSA-N 491.396 6.786 50 10 JKGE COc1cc(C)c(-c2csc(C(C#N)=C(O)CCCOc3ccc4ccccc4c3)n2)cc1C 2331402880 BWGDLGNLPBSALF-UHFFFAOYSA-N 470.594 7.241 50 10 JKGE COc1ccc(-c2csc(C(C#N)=C(O)c3ccc([N+](=O)[O-])c(C)c3)n2)c(OC)c1OC 2331413582 BVTCHPXTCJNVSG-UHFFFAOYSA-N 453.476 5.002 50 10 JKGE COc1ccc(-c2csc(C(C#N)=Cc3ccc(OCc4ccccc4C)cc3)n2)c(OC)c1 2331473466 ZUAMEZFEXVCZEA-UHFFFAOYSA-N 468.578 6.779 50 10 JKGE FC(F)(C1CCOCC1)[C@H](Br)c1ccc(OCc2ccccc2)cc1Br 2336082968 GBAGTFKFIQITCV-LJQANCHMSA-N 490.182 6.526 50 10 JKGE Clc1ccc(COc2cccc(Cl)c2CBr)cc1I 2337270742 OLXJDSDYHGHJQW-UHFFFAOYSA-N 471.947 6.072 50 10 JKGE COc1c(Br)cc(C)c([C@H](Br)C2CC(F)(F)C2)c1Br 2339691951 SMCNBQJNMPJTEH-SNVBAGLBSA-N 462.954 6.010 50 10 JKGE Clc1ccc(I)cc1CN1CC[C@@]2(CCC[C@H]2Br)C1 2352421935 QWGCVMYHYYDOOS-CABCVRRESA-N 454.577 5.084 50 10 JKGE COC[C@]1([C@H](Br)c2c(F)cc(Cl)c(Br)c2Cl)CCCO1 2360406384 KHZPYIMOJQYTQB-OLZOCXBDSA-N 450.957 5.527 50 10 JKGE Fc1c(Br)cc(Cl)c([C@H](Br)C23CCCC2CCC3)c1Br 2362231996 INIOFMPPZZGLII-MLRNSFOPSA-N 489.448 7.411 50 10 JKGE Fc1c(Br)cc(Cl)c([C@H](Cl)[C@H]2[C@@H]3[C@H]2CCC3(F)F)c1Br 2362233111 WNVHXXWIERJQSH-DMCJXJHGSA-N 452.923 6.575 50 10 JKGE Fc1c(Br)cc(Cl)c([C@H](Cl)[C@H]2[C@@H]3[C@H]2CCC3(F)F)c1Br 2362239884 WNVHXXWIERJQSH-DMCJXJHGSA-N 452.923 6.575 50 10 JKGE ClCc1cc(Cl)c(OCc2ccc(Cl)c(I)c2)c(Cl)c1 2362427226 HIJMANQCIJZGBS-UHFFFAOYSA-N 461.941 6.569 50 10 JKGE C[C@@H]1CCCC[C@]12[C@@H](Br)C[C@H]2Oc1cc(Br)cc(Br)c1 2364104513 RYYRJCJYYLAPJH-CXOGBFNASA-N 467.039 6.323 50 10 JKGE Cc1cc(Br)c(F)c(Br)c1[C@H](Br)C1C[C@H]2[C@H](C1)C2(C)C 2365188679 NKSYRTIOBJZOGB-OUJBWJOFSA-N 469.030 6.777 50 10 JKGE COc1c(Br)cc(C)c([C@@H](Br)[C@@]23CCC[C@@H]2CC3)c1Br 2365195618 DCWYTPSNUSPWMM-UHNFBRDESA-N 467.039 6.545 50 10 JKGE COc1c(F)cc([C@@H](Br)c2cc(Cl)ccc2I)cc1F 2370438778 ZDUOSRMLILKECS-CYBMUJFWSA-N 473.482 5.716 50 10 JKGE N#CC(/C(O)=N/c1ccc(F)cc1)=C1/S[C@@H](Cc2ccc(F)cc2)C(=O)N1c1ccc(Cl)cc1 2401486 BPTPCFPVSLOOFK-JSIHEXFSSA-N 495.938 6.333 50 10 JKGE C/C(=N\NC(=O)c1ccc(NC(=O)c2cccc(C)c2)cc1)c1ccc(Br)cc1 12577863 FUSGVSPUNCQZFC-WGOQTCKBSA-N 450.336 5.164 50 10 JKGE O=C(NN=C(/C=C\c1ccccc1)/C=C/c1ccccc1)c1ccc(NC(=O)c2ccccc2)cc1 33392742 FQEVVHKGXVEHPV-KMZDFUBXSA-N 471.560 6.452 50 10 JKGE CC(C)(C)c1ccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)COc4cccc(Cl)c4)ccc32)cc1 38649896 CZHNCHQPKWGQOJ-AREMUKBSSA-N 488.971 5.840 50 10 JKGE N#CC1=C(N)Oc2cc(OC(=O)c3ccccc3Cl)ccc2[C@H]1c1ccc(Cl)cc1Cl 38655160 WGHPVOMJPCJRSS-OAQYLSRUSA-N 471.727 6.084 50 10 JKGE C=CCOc1cccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)[C@@H](C)Oc4ccc(CC)cc4)ccc32)c1 38684604 QGODLCNSUCZKPK-GDJIYFAZSA-N 496.563 5.405 50 10 JKGE N#CC1=C(N)Oc2cc(OC(=O)c3cc4ccccc4oc3=O)ccc2[C@H]1c1c(F)cccc1Cl 38700586 ITYRLPISAPJUEO-JOCHJYFZSA-N 488.858 5.023 50 10 JKGE Cc1cc(C)cc(OC(=O)c2oc3c(c2C)/C(=N/NC(=O)c2ccc4ccccc4n2)CCC3)c1 40825754 HFWSNVYMHATJEJ-JBASAIQMSA-N 467.525 5.443 50 10 JKGE CCCCCCOc1ccc(/C=C(\C#N)C(=O)NC(c2ccccc2)c2ccccc2)cc1OC 40853175 NEAZGKSCVBLNBH-LHLOQNFPSA-N 468.597 6.467 50 10 JKGE CCCc1ccc(OCC(=O)N/N=C/c2cc(Br)ccc2OCC)c(Br)c1 40960155 TYFQSBACSMRRSK-FSJBWODESA-N 498.215 5.092 50 10 JKGE CCOc1cc(/C=N\NC(=O)CC[C@H](O)c2ccccc2)cc(Cl)c1OCc1cccc(C)c1 58891408 RFNPJNXWKYAYFI-WYDFGVIMSA-N 480.992 5.590 50 10 JKGE Cc1ccc(COc2ccc(Br)cc2/C=C(\C#N)C(=O)N[C@@H](C)c2ccccc2)cc1 59224713 MAOVTPRZZQBXHQ-WQZUMXOESA-N 475.386 6.121 50 10 JKGE O=C(N/N=C(/CSc1nc2ccccc2[nH]1)c1ccc(Br)cc1)c1cccc(Cl)c1 59460673 MHXSJQSYOBDFEH-OOAXWGSJSA-N 499.821 5.905 50 10 JKGE CC(C)c1ccc(NC(=O)/C(C#N)=C\c2ccccc2OCc2cccc(C(F)(F)F)c2)cc1 96438718 MDLKQUOMMKLBLY-JCMHNJIXSA-N 464.487 6.953 50 10 JKGE O=C(COc1ccc(Cl)cc1-c1ccno1)N/N=C/C1=C(Cl)c2cc(Cl)ccc2OC1 96551488 PNTIPBMHWGOTNX-YCPBAFNGSA-N 478.719 5.172 50 10 JKGE COc1cc(/C=C2/C(=O)N(C3CCCCC3)C(=O)C(C#N)=C2C)ccc1OCc1ccccc1 101339063 VKPFVBOLTSKAEE-HZHRSRAPSA-N 456.542 5.199 50 10 JKGE CCOC(=O)c1sc(N/C=C(\C#N)c2nc(-c3ccc(C)cc3C)cs2)c(C(=O)OCC)c1C 102924537 BRKGZLYSFZKLME-SFQUDFHCSA-N 495.626 6.127 50 10 JKGE Brc1cc([C@H](Br)[C@@H]2COc3ccccc3O2)c(Br)s1 109869877 QMIQFLPQFFNIKN-JQWIXIFHSA-N 468.992 5.549 50 10 JKGE CCOc1ccc(Br)cc1[C@H](Br)c1cccc(I)c1 109871975 ZUIOEIJPLNEXCL-OAHLLOKOSA-N 495.980 5.937 50 10 JKGE Cc1cccc(C(CBr)(CBr)Cc2cc(Br)cs2)c1 118671252 FGIRJJKUPSPKKU-UHFFFAOYSA-N 467.064 6.089 50 10 JKGE Cc1cc([C@@H](Br)c2cc3c(cc2Cl)OCCCO3)sc1Br 123419646 HGMVUHAFKOZOQK-AWEZNQCLSA-N 452.595 6.118 50 10 JKGE COc1c(C)cc(Br)c(C)c1[C@H](Br)c1ccc(Br)o1 125720492 JKDNJXDUAZODDS-CYBMUJFWSA-N 452.968 5.914 50 10 JKGE CCCCCCOc1ccc(/C=C(/C#N)C(=O)Nc2ccc(C(=O)OCCCCC)cc2)cc1OC 206234389 IVYTYDPDEDQBAJ-CLCOLTQESA-N 492.616 6.547 50 10 JKGE CCCNC(=O)/C(C#N)=C\c1ccc(OC(=O)CCCOc2ccc(C(C)C)c(C)c2)c(OC)c1 207298106 UXISQQSJQHSREY-JWGURIENSA-N 478.589 5.325 50 10 JKGE Cc1ccc(-c2ccc(/C=C(/C#N)C(=O)Nc3cc(C(F)(F)F)cc(C(F)(F)F)c3)o2)cc1 209396116 GKVBOCUECMFQQW-NVNXTCNLSA-N 464.365 6.838 50 10 JKGE Brc1ccc([C@H](Br)c2cc(Br)cc(Br)c2)cc1 232482443 AOPIZMDUYQWDTH-ZDUSSCGKSA-N 483.823 6.458 50 10 JKGE COc1ccc(Br)cc1[C@@H](Br)c1ccc(Cl)cc1Br 234842391 MACQUPQGLBNHLZ-AWEZNQCLSA-N 469.398 6.358 50 10 JKGE CCCCCCCCC(=O)NN=Cc1cn(-c2ccccc2)nc1-c1ccc2ccccc2c1 252627399 RTKQOLTZJSQTKU-UHFFFAOYSA-N 452.602 6.893 50 10 JKGE C[C@H]1C[C@@H](OC2(CI)CCN(C(=O)OC(C)(C)C)CC2)CC[C@H]1C 303741158 HKTRCNMMYLNXBX-PMPSAXMXSA-N 451.389 5.032 50 10 JKGE COc1ccc(Br)cc1[C@@H](Cl)c1cc(Br)c(C)cc1Br 312286258 SWXJDVZLMBVHBZ-HNNXBMFYSA-N 483.425 6.619 50 10 JKGE O=C(OCc1ccccc1)N1C[C@H](c2cc(Cl)ccc2Cl)[C@@H](CI)C1 382739169 YORHEJOYPCNAFA-YOEHRIQHSA-N 490.168 5.781 50 10 JKGE CN(Cc1ccccc1)C1(Cn2c(CCl)nc3cc(I)ccc32)CCC1 386782985 MRLCUWXOJVGYPG-UHFFFAOYSA-N 479.793 5.434 50 10 JKGE CC(C)Oc1cccc2c1nc(CCCl)n2CCCN(Cc1ccccc1)Cc1ccccc1 390603955 WYSXEYGMHWEAAC-UHFFFAOYSA-N 476.064 6.697 50 10 JKGE Fc1cc(Br)c([C@@H](Br)c2ncsc2Br)c(F)c1F 698680399 GFXXDMPNDJTBGK-ZCFIWIBFSA-N 465.914 5.570 50 10 JKGE C[C@](CBr)(NC(=O)c1scc(Br)c1Br)c1ccccc1 705420421 RYXWOHJPLKNRTG-CQSZACIVSA-N 482.035 5.313 50 10 JKGE Fc1cc([C@H](Br)c2scc(Br)c2Br)c(F)c(F)c1F 705473584 AXSOVBVIIJWLEH-LURJTMIESA-N 482.916 6.314 50 10 JKGE Cc1ccc(C)c(C[C@@H](Br)c2scc(Br)c2Br)c1 705505430 OPOKARGZFWWAJW-LLVKDONJSA-N 453.037 6.569 50 10 JKGE CC(C)(C)N(CCCBr)C(=O)c1cc(Br)c(Br)s1 707981342 MYRDEZKRJGXGRG-UHFFFAOYSA-N 462.045 5.299 50 10 JKGE Cc1cc(Br)c([C@H](Br)[C@@H]2CC(C)(C)OC2(C)C)cc1Br 710091699 GMSYTGVLKSLPAF-FZMZJTMJSA-N 469.055 6.550 50 10 JKGE Cc1ccc([C@H](Br)c2c(F)cccc2Br)c(C)c1Br 719539441 TUBQIDWVNOPOFK-HNNXBMFYSA-N 450.971 6.452 50 10 JKGE C[C@@H](c1ccncc1)[C@H](Br)c1ccc(I)c(Br)c1 721580161 TUEPWEKRTALZBU-XPTSAGLGSA-N 480.969 5.688 50 10 JKGE Cc1sc([C@H](Br)c2ccccc2OCc2ccccc2)c(C)c1Br 724926984 CRKSNLUOGZRABO-LJQANCHMSA-N 466.238 7.191 50 10 JKGE COc1cc(C=NNC(=O)CSc2nc3ccccc3[nH]2)ccc1OCc1ccc(Cl)cc1 1084161496 CXNQUEUATGGTNA-UHFFFAOYSA-N 480.977 5.046 50 10 JKGE Cc1ccc(-n2c(C)cc(C=NNC(=O)c3cc4cc(Br)ccc4o3)c2C)cc1 1084310037 OFHXMXXEUXPTPX-UHFFFAOYSA-N 450.336 5.675 50 10 JKGE COc1ccc(Br)cc1C=NNC(=O)c1ccc(CSCc2ccccc2)cc1 1084367519 RFCTZYVUBJSAIL-UHFFFAOYSA-N 469.404 5.655 50 10 JKGE O=C(CCc1ccccc1)NN=C1C(=O)N(C(c2ccccc2)c2ccccc2)c2ccccc21 1084457403 BTLWEZPKRVGHSG-UHFFFAOYSA-N 459.549 5.276 50 10 JKGE Cc1ccc(NC(=O)/C(C#N)=C\c2cc(Cl)ccc2OCc2ccc(Cl)cc2Cl)cc1 1084502714 FHPYDEOAGYNPJI-ZDLGFXPLSA-N 471.771 7.080 50 10 JKGE N#C/C(=C/c1cc(Cl)ccc1OCc1ccccc1Cl)C(=O)Nc1ccc(Cl)c(Cl)c1 1084600583 RFPZBVRBDLQJHT-SXGWCWSVSA-N 492.189 7.425 50 10 JKGE Cc1c(Br)c(C=NNC(=O)c2ccccc2Br)c(C)n1-c1ccccc1 1084628942 YUDDYJCDNAEUIM-UHFFFAOYSA-N 475.184 5.383 50 10 JKGE Cc1nn(-c2ccc(Cl)c(Cl)c2)c2c1[C@H](c1ccc(Cl)c(Cl)c1)C(C#N)=C(N)O2 1865685352 IIAOUYRRAIRVHW-GOSISDBHSA-N 466.155 6.013 50 10 JKGE CCCc1nn(-c2ccccc2)c2c1[C@H](c1ccc(OCc3ccccc3)cc1)C(C#N)=C(N)O2 1865690116 IZZPWXAVFNXKNZ-AREMUKBSSA-N 462.553 5.622 50 10 JKGE CCCCCOc1ccc([C@H]2C(C#N)=C(N)Oc3c2c(C)nn3-c2ccc(Cl)cc2)cc1OCC 1865690941 FLFQYTIFTCNDRD-VWLOTQADSA-N 493.007 6.020 50 10 JKGE CCCCCOc1ccc([C@H]2C(C#N)=C(N)Oc3c2c(CC)nn3-c2ccc(Cl)c(Cl)c2)cc1 1865694353 WXDAPUBBAWKESH-QHCPKHFHSA-N 497.426 6.529 50 10 JKGE Cc1ccc(COc2ccc([C@H]3C(C#N)=C(N)Oc4c3c(C(F)(F)F)nn4CC(C)C)cc2)cc1 1865694567 ZKNCINPAMALGNK-NRFANRHFSA-N 482.506 5.664 50 10 JKGE CCOc1ccc([C@@H]2C(C#N)=C(N)Oc3c2c(C(F)(F)F)nn3Cc2cc(C)ccc2C)cc1OC 1865695081 JJFFXIRWBVRMSO-OAQYLSRUSA-N 498.505 5.193 50 10 JKGE N#CC1=C(N)Oc2c(c(-c3ccccc3)nn2-c2ccccc2Cl)[C@@H]1c1ccccc1C(=O)O 1865703873 HUKDFYQVABFXRL-OAQYLSRUSA-N 468.900 5.109 50 10 JKGE Cc1nc(-c2ccc(Cl)cc2Cl)ccc1C(=O)NNC(=O)c1ccc2ccccc2c1 1865759785 RUXPMABBJHRJSB-UHFFFAOYSA-N 450.325 5.592 50 10 JKGE CCOC(=O)c1c(NC(=O)/C(C#N)=C/c2ccc(C)cc2)sc(C(=O)OCc2ccccc2)c1C 1866127309 XDLJNYPVRNAWTN-KGENOOAVSA-N 488.565 5.444 50 10 JKGE COc1ccc([C@H](C(=O)N[C@@H](Cc2ccccc2)C(=O)Nc2ccc(SC#N)cc2)C(C)C)cc1 1866985359 CTFYOOWAJLDUNX-IZZNHLLZSA-N 487.625 5.374 50 10 JKGE COc1ccc(-c2csc(/C(C#N)=C(\O)CCCOc3c(C)cccc3C)n2)cc1OC 1872745352 JBBYNQFLGSPXRO-VZCXRCSSSA-N 450.560 6.096 50 10 JKGE Cc1nc2ccc(/C(O)=C(\C#N)c3nc(-c4ccc(Cl)c(Cl)c4)cs3)cc2nc1C 1872749501 UMIFHDZYGVIOSJ-QNGOZBTKSA-N 453.354 6.627 50 10 JKGE COc1cc(OC)c(-c2csc(/C(C#N)=C(O)/C=C/c3ccc(Cl)cc3Cl)n2)cc1Cl 1872756662 UUUSYMZCVCZBDK-DWIOIQMSSA-N 493.799 7.294 50 10 JKGE COc1cc(/C=C(\C#N)c2nc(-c3ccc(F)c(C)c3)cs2)ccc1OCc1ccc(Cl)cc1 1872791032 RSEAPPIAQUTLOV-CIAFOILYSA-N 490.987 7.563 50 10 JKGE Cc1ccc(-c2csc(/C(C#N)=C/c3ccccc3OCc3ccc(Cl)cc3)n2)cc1C 1872793630 KPFGPAZDBXYVCR-OEAKJJBVSA-N 456.998 7.724 50 10 JKGE N#C/C(=C(/O)CCCOc1ccc(Cl)cc1Cl)c1nc(-c2cccc([N+](=O)[O-])c2)cs1 1873940717 DRTVXYPNAKTVNK-MNDPQUGUSA-N 476.341 6.677 50 10 JKGE Brc1cc2c(cc1[C@@H](Br)[C@H]1C[C@H](Br)C1)OCCCO2 1887748191 CUCSNEXCHBNIEW-FZNYLWTLSA-N 454.984 5.220 50 10 JKGE Clc1ccc(CN(Cc2ccccc2)C2(CBr)CCC2)c(Br)c1 1915756411 JQLWKIKVQROFAR-UHFFFAOYSA-N 457.637 6.422 50 10 JKGE CN(C[C@H](Br)COCc1ccccc1)C(=O)c1ccc(Br)c(Cl)c1 1916383571 LPLROBCXCKBFDQ-HNNXBMFYSA-N 475.608 5.155 50 10 JKGE Cc1c(Br)sc([C@@H](Br)[C@H]2CCCC3(CC3)C2)c1Br 1922907667 WPXVLSQZCREHIN-ONGXEEELSA-N 457.069 6.988 50 10 JKGE Cc1cc(F)cc([C@@H](Br)c2sc(Br)c(C)c2Br)c1 1922946401 QRXGWUANOPDKKP-LLVKDONJSA-N 457.000 6.513 50 10 JKGE Cc1sc([C@H](Br)c2cc(I)sn2)c(C)c1Br 1983293668 WKYDMAMDKNKZLT-SECBINFHSA-N 493.027 5.673 50 10 JKGE Brc1ccc([C@H](Br)c2csnc2Br)c(Br)c1 1994123829 DKEWZVJQQFXWKI-VIFPVBQESA-N 490.840 5.915 50 10 JKGE CC(C)[C@@H](CBr)N(Cc1ccccc1)C(=O)c1ncc(Br)cc1F 2002339388 KFLGTZVAZLKLQA-MRXNPFEDSA-N 458.169 5.045 50 10 JKGE CO[C@H]1C[C@@H](C[C@H](Br)c2c(Br)sc(Br)c2Cl)C1 2002401170 IMKVYFZURCGPNY-XVMARJQXSA-N 467.448 6.178 50 10 JKGE C[C@@H]1C[C@@H]([C@H](Br)c2c(Br)sc(Br)c2Cl)CCO1 2011644524 OWMHOTDRVJWXFP-CHKWXVPMSA-N 467.448 6.178 50 10 JKGE CCc1cc(Br)c([C@H](Br)c2cccc(F)c2Br)s1 2029233306 RJXJBJLPBWXAOO-GFCCVEGCSA-N 457.000 6.459 50 10 JKGE Cc1c([C@H](Cl)c2c(Cl)sc(Br)c2Cl)nn(C)c1Br 2049256014 OGWJTAMJHAFFKK-RXMQYKEDSA-N 453.414 5.950 50 10 JKGE CN(C[C@@H]1C[C@@H]1Br)[C@@H](CN)c1ccc(OCc2ccccc2)c(OCc2ccccc2)c1 2076237692 XUDLOFJEIDAXER-SDHOMARFSA-N 495.461 5.560 50 10 JKGE Fc1cccc(C(F)(F)F)c1Cn1nc(CCl)c(I)c1C(F)(F)F 2079211672 XRJAHRRPRMTHIA-UHFFFAOYSA-N 486.556 5.452 50 10 JKGE CCc1ccc(Cn2nc(CBr)c(I)c2C(F)(F)F)cc1 2079243071 MPKZIKRHWFFANR-UHFFFAOYSA-N 473.074 5.012 50 10 JKGE FC(F)(F)c1ccc(Cn2nc3c(c2CBr)[C@H]2C[C@H]2C3)cc1Br 2080537575 QVBCKNDTXDSBNH-UWVGGRQHSA-N 450.096 5.267 50 10 JKGE BrCc1ccc(N2CCCN(Cc3ccccc3)CCOCC2)cc1Br 2088628001 JNSVVKQINOTZKF-UHFFFAOYSA-N 482.260 5.073 50 10 JKGE Fc1c(Cl)cccc1C[C@H](Br)c1cc(Br)cc(Br)c1 2113464473 WNYVWRRJICYFGG-LBPRGKRZSA-N 471.389 6.683 50 10 JKGE O=C(NCC[C@H]1CCCC[C@H]1Br)c1csc(Br)c1Br 2123028093 FAYFCHXRNFNDIF-PSASIEDQSA-N 474.056 5.347 50 10 JKGE FC(F)(C1CCCCC1)[C@@H](Br)c1cc(Br)ccc1Br 2128820773 RAZGNQKHNDHZBI-ZDUSSCGKSA-N 460.982 6.863 50 10 JKGE Fc1cc(Br)c([C@@H](Cl)c2cccc(I)c2)c(F)c1Cl 2136965758 CAYJMRGNTXOJTN-NSHDSACASA-N 477.901 6.314 50 10 JKGE ClC[C@H](Cc1ccc(I)c(Cl)c1)c1ccc(Br)cc1 2142940031 KYIZUVRTGBTRKT-LBPRGKRZSA-N 469.975 6.272 50 10 JKGE FC(F)(F)c1ccc2nc(CCCl)n(CCCN(Cc3ccccc3)Cc3ccccc3)c2c1 2145182477 MYKPCNWGKSEMQE-UHFFFAOYSA-N 485.981 6.929 50 10 JKGE Clc1cc(Br)ccc1[C@@H](Br)c1cc(Br)c2c(c1)CCO2 2146628700 OXGOQXGBIYCHDT-AWEZNQCLSA-N 481.409 6.284 50 10 JKGE CC1(C)C[C@H](NC(=O)c2c(Br)cccc2Br)C[C@H](Br)C1 2150492585 BNKAPKBFQVKQQA-VHSXEESVSA-N 468.027 5.284 50 10 JKGE C[C@@H]1[C@H](n2c(CCCl)nc3cc(Br)c(Cl)cc32)CCN1Cc1ccccc1 2159873402 GTUXPNXLTLQBFM-AUUYWEPGSA-N 467.238 6.069 50 10 JKGE BrCc1ccc(N2CCC[C@@]3(CCCN(Cc4ccccc4)C3)C2)cc1Br 2163308029 UDOXSYZDWLVQNC-HSZRJFAPSA-N 492.299 6.227 50 10 JKGE Fc1ccc(I)cc1[C@H](Br)c1c(F)c(F)cc(F)c1F 2169665927 ZPCQHJUEAKTLHB-NSHDSACASA-N 462.981 5.471 50 10 JKGE Brc1cc(Br)c(OC[C@H]2C[C@@H](Br)C2)c(CNC2CC2)c1 2196905864 VXAOHVKUESMIDG-JGZJWPJOSA-N 468.027 5.016 50 10 JKGE BrCC(CBr)(C[C@@H]1CCCOCC1)c1ccc(Br)cc1 2206824664 VDJCRXAJTXVCQG-CYBMUJFWSA-N 469.055 5.684 50 10 JKGE COc1ccc(Br)c(CBr)c1OC[C@H](C)COCc1ccccc1 2214870195 ZEJSLXZAUAHFGT-CQSZACIVSA-N 458.190 5.584 50 10 JKGE Brc1cc([C@H](Br)[C@H]2C[C@H]3CCC[C@H](C3)C2)c(Br)s1 2218345084 BOQUZLVYPXSJMS-BSTOTGJRSA-N 457.069 6.926 50 10 JKGE Clc1c(Br)sc(Br)c1[C@H](Br)[C@@H]1OC[C@@H]2CCCC[C@H]21 2224947797 PLYPZFXDFCVNMB-IQOVXZNZSA-N 493.486 6.568 50 10 JKGE Cc1cc(C)c([C@@H](Br)c2scc(Br)c2C)c(C)c1Br 2226122001 LYSHTCGPIKNUTD-CQSZACIVSA-N 467.064 6.991 50 10 JKGE BrC[C@@H]1C[C@@H]2CCCC[C@@H]2N1c1ncc(Br)cc1Br 2231989547 FPISXUCFSUGKQX-GAFUQQFSSA-N 453.016 5.139 50 10 JKGE COC1CC2(C1)CC([C@@H](Br)c1cc(Br)c(Br)cc1F)C2 2233977530 VWJVNOCBLPDTMI-UOUHDCLHSA-N 471.002 5.992 50 10 JKGE Fc1cc(Br)ccc1[C@@H](Br)c1c(F)cc(F)c(Br)c1F 2236106480 DHTNPOVQSZLSBT-LLVKDONJSA-N 476.887 6.252 50 10 JKGE Cc1sc([C@@H](Cl)c2scc(C(F)(F)F)c2Br)c(Br)c1C 2237630760 ZVPCPYHFZXXXIK-VIFPVBQESA-N 468.585 7.298 50 10 JKGE Clc1sc([C@H](Br)c2scc(Br)c2Cl)cc1Br 2242673026 NXWBUNHLJCOOGZ-LURJTMIESA-N 485.875 7.126 50 10 JKGE Cc1c(Br)sc([C@@H](Cl)c2ccc(Cl)c(I)c2)c1C 2256334914 CZYRBTZWGDJYHT-NSHDSACASA-N 476.004 6.714 50 10 JKGE C[C@@H]1C[C@@H]1CCCCOc1c(Br)cc(CBr)cc1Br 2265722429 DMXWWCLNGGGPMO-PWSUYJOCSA-N 455.028 6.312 50 10 JKGE CCOC1CC(C[C@@H](Br)Cc2cc(Br)cc(Br)c2)C1 2277966581 UUJFWLFCHBAJGJ-AVERBVTBSA-N 455.028 5.723 50 10 JKGE Cc1cc(Br)c([C@H](Br)c2cc(Br)ccc2Cl)c(C)c1F 2279146670 MMFMTPSRSFADPH-CQSZACIVSA-N 485.416 7.105 50 10 JKGE Cc1cc(Cl)c(Cl)cc1[C@H](Cl)Cc1cc(Br)cc(Br)c1 2295278371 BBSHEHUNOKWYKI-CYBMUJFWSA-N 457.420 7.349 50 10 JKGE CCc1ccc(C[C@@H]2SC(=C(C#N)C(=O)Nc3ccccc3)N(c3ccccc3)C2=O)cc1 2296506719 BUYWHYXFIOITHF-DEOSSOPVSA-N 453.567 5.314 50 10 JKGE COc1cc(C=C(C#N)C(=O)Nc2nc3ccccc3s2)ccc1OCc1ccccc1[N+](=O)[O-] 2297500401 UNIQWTQFNWQUOZ-UHFFFAOYSA-N 486.509 5.338 50 10 JKGE CCc1ccc([C@@H](Br)c2ccc(OCc3ccccc3)cc2Br)o1 2299490290 XNLCQJNVXDGCIT-FQEVSTJZSA-N 450.170 6.668 50 10 JKGE Brc1cc(OCc2ccccc2)ccc1[C@@H](Br)[C@@]12CCCC[C@@H]1C2 2299496790 VNOTUPLPLGJDTG-MAODMQOUSA-N 450.214 7.044 50 10 JKGE CCOc1cc(C=C(C#N)C(=O)Nc2ccc(C)cc2)cc(Cl)c1OCc1ccc2c(c1)OCO2 2313567045 BTSRELVDHLTPPA-UHFFFAOYSA-N 490.943 5.901 50 10 JKGE COc1cc(C=C(C#N)C(=O)Nc2ccccc2Cl)ccc1OCc1ccc(Cl)cc1 2313631021 ITNBMYWIJVYTNC-UHFFFAOYSA-N 453.325 6.127 50 10 JKGE COc1cccc2cc(-c3nn(-c4ccccc4)cc3C=C(C#N)C(=O)NCCCOC(C)C)oc12 2314450851 YDQZAONDILFWKW-UHFFFAOYSA-N 484.556 5.132 50 10 JKGE Brc1cc(OCc2ccccc2)ccc1[C@H](Br)C1CC(CC2CC2)C1 2314499812 HFNLEBHFHXDLHN-RWWKDMOOSA-N 464.241 7.290 50 10 JKGE CC1(C)CO[C@@H](C[C@H](Br)c2ccc(OCc3ccccc3)cc2Br)C1 2314503204 PXXYDPMAESBHPZ-PXNSSMCTSA-N 468.229 6.669 50 10 JKGE Cc1c(Cl)sc(Cl)c1[C@@H](Br)c1ccc(Br)cc1Br 2314512499 BQRMMIZSSXQYKB-JTQLQIEISA-N 493.873 7.373 50 10 JKGE CCOc1ccc(N2C(=O)[C@H](Cc3ccccc3C)SC2=C(C#N)C(=O)NCc2ccccc2)cc1 2314593883 VLWJQOLLLRPPJU-SANMLTNESA-N 497.620 5.136 50 10 JKGE COc1cccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)C=Cc4ccccc4Cl)ccc32)c1 2314634268 SZVKJRKDNPWRHY-VWLOTQADSA-N 458.901 5.186 50 10 JKGE CCOc1ccc([C@@H](Br)c2sc(Cl)cc2I)cc1 2316598988 KQSZMQINFMBJEW-GFCCVEGCSA-N 457.558 5.889 50 10 JKGE CC(=NNC(=O)c1ccc(-c2ccc(Cl)cc2Cl)nc1C)c1ccc2c(c1)N(C)C(=O)[C@@H](C)O2 2321275900 FRSRNNLXBDKNTA-OAHLLOKOSA-N 497.382 5.262 50 10 JKGE COc1cc(C=C(C#N)c2ncccc2[N+](=O)[O-])ccc1OCc1c(Cl)cccc1Cl 2331059279 CCBGRMBYYIXMDA-UHFFFAOYSA-N 456.285 5.948 50 10 JKGE N#CC(=C(O)c1cc(C(F)(F)F)cc(C(F)(F)F)c1)c1nc(-c2cccc([N+](=O)[O-])c2)cs1 2331235167 YUMVPSDJLRJKSZ-UHFFFAOYSA-N 485.365 6.706 50 10 JKGE CC[C@@H](C)[C@@H](C(O)=C(C#N)c1nc(-c2cccc3ccccc23)cs1)N1C(=O)c2ccccc2C1=O 2331340014 NVXLYBGGRCTQJD-NSYGIPOTSA-N 493.588 6.467 50 10 JKGE COc1cc(C=C(C#N)c2nc(-c3ccc4c(c3)OCCO4)cs2)ccc1OCc1ccccc1 2331451362 VSWXDMBUODINFI-UHFFFAOYSA-N 482.561 6.233 50 10 JKGE Cc1cc(Br)c(C)c([C@@H](Br)[C@@H]2C[C@H]2CC(C)C)c1Br 2332925977 VMWLBLMFRDSDSV-HSMVNMDESA-N 453.056 6.947 50 10 JKGE Cc1cc(Br)c([C@H](Br)[C@@H]2C[C@@H]3CC[C@H]2O3)c(C)c1Br 2333708235 FAGKEUUPFMLRGS-PETRGTFGSA-N 453.012 5.832 50 10 JKGE COc1ccc([C@H](Br)c2ccc(OCc3ccccc3)cc2Br)c(F)c1 2336039239 VDGORURROQHXAI-OAQYLSRUSA-N 480.171 6.660 50 10 JKGE CC(F)(F)CCC[C@@H](Br)c1c(Cl)cc(Br)c(F)c1Br 2337091044 VDBOBCPOTZQLJY-ZCFIWIBFSA-N 487.379 7.266 50 10 JKGE Clc1ccc(CN2CCCC[C@H]2CCCBr)cc1I 2337220561 FDCUHDZOOXGPAV-ZDUSSCGKSA-N 456.593 5.474 50 10 JKGE CCCc1sc(Br)cc1[C@H](Br)c1c(C)nn(C)c1Br 2338029030 DDJKKHZKCKWRLP-LBPRGKRZSA-N 471.056 5.752 50 10 JKGE CCn1nc(C)c(CBr)c1Oc1cc(Br)cc(I)c1 2338755957 VDCFGVCRXBZHMI-UHFFFAOYSA-N 499.972 5.266 50 10 JKGE C[C@H](Cl)C12CCC(CC1)N2Cc1ccc(I)c(Br)c1 2349839731 AEEQUIBEKIYPBT-VLRKGOCCSA-N 454.577 5.178 50 10 JKGE CS(=O)(=O)c1ccc([C@H](Cl)c2cc(Br)ccc2OCc2ccccc2)cc1 2361177556 KDASRQOSWFNGRX-NRFANRHFSA-N 465.796 5.760 50 10 JKGE Fc1c(Br)cc(Cl)c([C@H](Br)C[C@@H]2CCC23CCC3)c1Br 2362227793 JLCXGCVPEHEZIE-DTWKUNHWSA-N 489.448 7.411 50 10 JKGE CC[C@@H](C[C@@H](Br)c1c(Cl)cc(Br)c(F)c1Br)C(C)(C)C 2362246491 AJWVSGUCFMCPBU-DTWKUNHWSA-N 493.480 7.903 50 10 JKGE CCOc1ccc([C@H](Br)c2c(Br)nc(C)n2C)cc1Br 2362482853 JPHOKQSMZLFYED-LBPRGKRZSA-N 466.999 5.137 50 10 JKGE CCCc1sc(Br)cc1[C@@H](Br)c1cc(C)c(Br)c(C)c1 2363254014 MASGKGWQLPHOLT-INIZCTEOSA-N 481.091 7.327 50 10 JKGE COc1c(C)cc([C@@H](Br)c2c(Br)c(Br)nn2C)cc1C 2364228794 QZDVQFSFIHWATR-SNVBAGLBSA-N 466.999 5.055 50 10 JKGE COc1c(Br)cc(C)c([C@@H](Br)[C@H]2CCC23CCC3)c1Br 2365182861 DPVQPSXBYRESRT-MFKMUULPSA-N 467.039 6.545 50 10 JKGE COc1c(Br)cc(C)c([C@H](Br)[C@@H]2CCCC[C@H]2C)c1Br 2365236303 OCFLADQABZSTLZ-GLXFQSAKSA-N 469.055 6.791 50 10 JKGE C/C(=N\NC(=O)c1ccc(OCc2ccccc2)cc1OCc1ccccc1)c1ccc(N)cc1 20073545 HXAXJACQYUJZBT-NJZRLIGZSA-N 465.553 5.581 50 10 JKGE N#C/C(=C/c1cccc(OC(=O)c2ccc(S(=O)(=O)N3CCCCC3)cc2)c1)c1ccccc1 31902590 WSXDDPWATWOBOS-MOHJPFBDSA-N 472.566 5.145 50 10 JKGE C=CCOc1ccc(-c2nn(-c3ccccc3)cc2/C=C2/C(=O)N(C(C)C)C(=O)C(C#N)=C2C)c(C)c1 38604351 DUEFBPGJPXYZQF-WGOQTCKBSA-N 492.579 5.413 50 10 JKGE C=CCOc1ccc(C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@@H]3c2ccccc2Cl)cc1 38651039 UPORDPMUXPYYMA-XMMPIXPASA-N 458.901 5.342 50 10 JKGE O=C(N/N=C(/CSc1nc2ccccc2s1)c1ccc([N+](=O)[O-])cc1)c1ccccc1Cl 59460732 CGLNFXZDGYKBLS-PLRJNAJWSA-N 482.974 5.784 50 10 JKGE CCOC(=O)/C(C#N)=C/c1cc(Br)c(OCc2ccccc2Cl)c(OC)c1 59485147 CDGWIEMYVRPAFH-OVCLIPMQSA-N 450.716 5.160 50 10 JKGE O=C(N/N=C/c1c(O)ccc2ccccc12)c1cc(Br)ccc1OCc1ccccc1 96095895 BNMMNSASSLPASR-JFLMPSFJSA-N 475.342 5.651 50 10 JKGE CC(C)OC(=O)c1ccc(N/C=C(/C#N)c2nc(-c3ccc(Cl)c(Cl)c3)cs2)cc1 102934455 GKQKQOYYSUONFN-WJDWOHSUSA-N 458.370 6.659 50 10 JKGE CCCCCCCCOc1ccc(/C=N/NC(=O)[C@@H](C)Oc2ccc(Cl)cc2Cl)cc1 103741131 BFXBMQNJMNBMJV-OVKKOYPGSA-N 465.421 6.650 50 10 JKGE O=c1[nH]c2cc(Br)c([C@H](Br)c3ccc(Br)c(F)c3)cc2[nH]1 109884066 RGUJAXQZNKNOIH-CYBMUJFWSA-N 478.941 5.005 50 10 JKGE BrCC(CBr)(CCC[C@H]1CCCO1)c1cccc(Br)c1 118878759 XVWNGSKMCFKLKU-HNNXBMFYSA-N 469.055 5.826 50 10 JKGE Cc1ccc(F)cc1CC(CBr)(CBr)c1ccc(Br)cc1 126887190 BVCUBFRQNFAWJT-UHFFFAOYSA-N 479.025 6.167 50 10 JKGE Cc1cc(Br)c([C@@H](Br)c2cccc(S(C)(=O)=O)c2)cc1Br 128840318 UJENDZOUMKRPBT-HNNXBMFYSA-N 497.046 5.408 50 10 JKGE COc1ccc([C@@H](Br)c2cccc(F)c2Br)cc1Br 156089409 JNGIPNBOJPCJES-CYBMUJFWSA-N 452.943 5.844 50 10 JKGE Fc1cc([C@H](Cl)c2cc(Br)ccc2Br)c(F)cc1Br 161104499 OZBFDFXBWBSBCR-CYBMUJFWSA-N 475.352 6.581 50 10 JKGE CCOc1ccc([C@H](Cl)c2cc(Br)ccc2Br)c(Br)c1 161113988 TXLLEPYXPOVHAP-HNNXBMFYSA-N 483.425 6.701 50 10 JKGE COc1c(C)cc(Br)c(C)c1[C@H](Cl)c1cc(Br)ccc1Br 161121900 KZSJNLJSOIRRCJ-OAHLLOKOSA-N 497.452 6.928 50 10 JKGE COc1cccc(CO[C@](C)(CI)c2ccccc2Br)c1 161903882 VRLPRZGGAADYAE-QGZVFWFLSA-N 461.137 5.325 50 10 JKGE CCCCOc1ccc(/C=C\C(=O)Oc2ccc(/C=C(/C#N)C(=O)OCC)cc2OC)cc1OCC 207294525 MXRARQUDCIWADK-WIWSQCTFSA-N 493.556 5.362 50 10 JKGE COc1cc(/C=C2\C(=O)N(Cc3ccc(C)cc3)C(=O)C(C#N)=C2C)ccc1OCc1ccccc1 214381365 NHYVDDAUAAZFDT-MYYYXRDXSA-N 478.548 5.375 50 10 JKGE CC[C@@H](NC(=O)/C(C#N)=C\N(Cc1ccccc1)Cc1ccccc1)c1ccc2c(c1)CCCC2 217190759 VOTDMEUJNSQFMZ-UJCBFYIDSA-N 463.625 6.243 50 10 JKGE N#C/C(=C/NC1CCCCCCCCCCC1)C(=O)Nc1ccccc1Sc1ccccc1 217243539 IVBSRCDMALELMD-FCQUAONHSA-N 461.675 7.447 50 10 JKGE COc1ccc(Cl)cc1[C@H](Br)c1cc(Cl)ccc1I 234879687 IFIRGHQPBYGJIS-CQSZACIVSA-N 471.947 6.091 50 10 JKGE Cc1cc(Br)c([C@@H](Cl)c2ccc(Br)cc2Br)s1 235814422 XPTMDYCKOKNXRU-NSHDSACASA-N 459.428 6.672 50 10 JKGE Cc1cc(Cl)c([C@H](Br)c2cc(Br)cc(Br)c2)cc1C 235844313 UDPZOBBSWIEOLE-OAHLLOKOSA-N 467.426 6.966 50 10 JKGE Clc1cc([C@H](Br)c2ccc(Br)cc2Br)c(Cl)s1 236071234 YLJOBPIJBYPSRC-SNVBAGLBSA-N 479.846 7.064 50 10 JKGE Fc1cc([C@@H](Br)c2cc(Br)c(Br)s2)ccc1Cl 236219819 HUKJXACEUIGAHU-SNVBAGLBSA-N 463.391 6.550 50 10 JKGE Fc1cc(F)c([C@@H](Cl)c2cc(I)ccc2Br)c(F)c1 236242117 GIWZLSGGIKMZMQ-ZDUSSCGKSA-N 461.446 5.799 50 10 JKGE C=CCc1ccccc1OCC(=O)NN=Cc1cn(-c2ccccc2)nc1-c1ccc(OCCC)cc1 254698459 ILNHEVOFZNABDJ-UHFFFAOYSA-N 494.595 5.586 50 10 JKGE Cc1ccc(NC(=O)CCC(CC(=O)C(C)(C)C)=NNC(=O)c2c(O)ccc3ccccc23)cc1C 254738624 FSFNIFXHJLALKY-UHFFFAOYSA-N 487.600 5.672 50 10 JKGE COc1cc(C)c(C=NNC(=O)Cc2csc(Nc3cccc(C(F)(F)F)c3)n2)cc1C(C)C 254871473 XCMGWTFSVVFPQK-UHFFFAOYSA-N 490.551 6.039 50 10 JKGE Brc1ccc([C@@H](Br)c2sccc2I)cc1 306735968 WYXCYEAUKXNXQW-SNVBAGLBSA-N 457.956 5.600 50 10 JKGE Clc1ccc([C@@H](Br)c2cc3c(cc2Br)OCC3)c(Br)c1 308409851 COPZBLTXEQNRHH-OAHLLOKOSA-N 481.409 6.284 50 10 JKGE Cc1cc(Br)c([C@H](Br)Cc2cccc(Br)c2)cc1Cl 311945928 IRFWJWFKTCHHDA-CQSZACIVSA-N 467.426 6.852 50 10 JKGE C[C@H]([C@@H]1CCN(Cc2ccccc2)C1)n1c(CCl)nc2cc(Br)c(F)cc21 312482885 IUUOLHVGYJHYKB-GDBMZVCRSA-N 450.783 5.760 50 10 JKGE Cc1oc(Br)cc1[C@@H](Br)c1cc(I)cc2c1OCC2 396614520 VFDSISNOARNZGF-CYBMUJFWSA-N 497.952 5.374 50 10 JKGE Clc1ccc(Br)cc1[C@H](Br)c1cc(Cl)c(Cl)c(Cl)c1Cl 405110462 ZJOKPPZJMBPHPT-JTQLQIEISA-N 498.256 8.200 50 10 JKGE Clc1ccc(I)c(COc2c(Cl)cccc2CBr)c1 405297146 LJOCCZWYNZEZQD-UHFFFAOYSA-N 471.947 6.072 50 10 JKGE CC(C)(C)[Si](C)(C)OCCc1ccccc1[C@H]1CNCCN1CCO[Si](C)(C)C(C)(C)C 616637544 YXJSOEQWFZZGDQ-XMMPIXPASA-N 478.870 6.219 50 10 JKGE CC(C)(C)[Si](C)(C)OCCc1ccccc1[C@H]1COCCCN1S(=O)(=O)c1ccccc1 616649248 SXLAFJSCGCLFJU-XMMPIXPASA-N 475.727 5.403 50 10 JKGE COCc1cc(Br)c([C@@H](Cl)c2ccccc2I)s1 688112469 HPQNHPOPLPPXSO-LBPRGKRZSA-N 457.558 5.590 50 10 JKGE CCn1cc([C@@H](Br)c2cc(Cl)c(Cl)c(Cl)c2Cl)nc1Br 698415091 BAXHUKAKPCDXCI-QMMMGPOBSA-N 481.830 6.763 50 10 JKGE Fc1cc2nc(CCl)n(CC3(CCOCc4ccccc4)CC3)c2cc1Br 702198900 ICIWTPULMLUWGT-UHFFFAOYSA-N 451.767 6.064 50 10 JKGE CC(C)[C@@H]1CN(c2ccc(CBr)c(Br)c2)CCN1Cc1ccccc1 704743469 KZXUXZZACWKHMV-NRFANRHFSA-N 466.261 5.691 50 10 JKGE COc1cc(F)c(Br)cc1[C@@H](Cl)c1scc(Br)c1Br 705470303 ZHKMEZMOGVQGAC-LLVKDONJSA-N 493.417 6.512 50 10 JKGE BrCc1ccc(N2C[C@H]3CC[C@H]2[C@H]2CN(Cc4ccccc4)C[C@@H]32)cc1Br 705886032 KIDVABDAQFDOAA-ANZJIFDASA-N 490.283 5.691 50 10 JKGE Cc1ccccc1C[C@H](Br)c1ccc(I)c(Br)c1 721608187 FBDQCIVGMRTCOJ-ZDUSSCGKSA-N 479.981 6.041 50 10 JKGE Fc1cccc([C@@H](Cl)c2cc3c(cc2Br)OCC3)c1I 721720141 SEXCWHNYFAGVLA-CQSZACIVSA-N 467.503 5.456 50 10 JKGE CCCCCCCC(=O)NN=Cc1ccc(Sc2nc3ccccc3c(=O)n2-c2ccccc2)o1 1084322827 KBPZURRGNWQOJW-UHFFFAOYSA-N 488.613 5.941 50 10 JKGE Cc1ccc(-c2nn(-c3ccccc3)cc2C=NNC(=O)[C@@H](C)Oc2cccc3ccccc23)cc1 1084439343 IDJCNLWNTPKWBC-JOCHJYFZSA-N 474.564 5.919 50 10 JKGE O=C(Nc1ccccc1C(=O)NN=Cc1ccc(OCc2ccccc2Cl)cc1)c1cccs1 1084566055 SFTQFTXTKUZBOJ-UHFFFAOYSA-N 489.984 5.997 50 10 JKGE Cc1cc(C)cc(OC(=O)c2oc3c(c2C)C(=NNC(=O)c2ccc(Cl)c([N+](=O)[O-])c2)CCC3)c1 1772748872 UUYWEHAXYCSOEZ-UHFFFAOYSA-N 495.919 5.456 50 10 JKGE Cc1occc1C(=O)NN=C1CCCc2oc(C(=O)N3c4ccc(F)cc4CC[C@H]3C)c(C)c21 1772749863 TWCWJDLDTUJYQO-CQSZACIVSA-N 463.509 5.080 50 10 JKGE CC(C)(C)c1ccc(OCCCC(=O)NN=Cc2cccc(Br)c2)c(Br)c1 1772755545 LUGBBUPVNHZMOY-UHFFFAOYSA-N 496.243 5.818 50 10 JKGE COc1cc(C=NNC(=O)[C@H](C)Oc2ccc(C(C)(C)C)cc2)ccc1OCc1ccccc1Cl 1772756115 LMIOFVJKHZLFLD-IBGZPJMESA-N 495.019 6.143 50 10 JKGE CCCc1nn(-c2cccc3ccccc23)c2c1[C@H](c1cccc3ccccc13)C(C#N)=C(N)O2 1865682160 HQGVEMBEGXMSTO-HHHXNRCGSA-N 456.549 6.349 50 10 JKGE N#CC1=C(N)Oc2c(c(C(F)(F)F)nn2-c2ccccc2Cl)[C@@H]1c1ccc(Cl)cc1 1865683339 JBJHUWWXXUFGRH-OAHLLOKOSA-N 451.235 5.416 50 10 JKGE Cc1ccc(-n2nc(C(F)(F)F)c3c2OC(N)=C(C#N)[C@H]3c2cccc(Br)c2)cc1 1865683407 CPGQFAHQKRURKA-MRXNPFEDSA-N 475.268 5.180 50 10 JKGE CCCOc1cccc([C@@H]2C(C#N)=C(N)Oc3c2c(CCC)nn3Cc2ccc(Cl)c(Cl)c2)c1 1865692408 BHYZXRLIBRSFDV-HSZRJFAPSA-N 497.426 6.198 50 10 JKGE CCCCOc1ccc([C@H]2C(C#N)=C(N)Oc3c2c(C(F)(F)F)nn3-c2ccc(C)cc2)cc1OC 1865697468 TZWAJXHIEVDOQR-NRFANRHFSA-N 498.505 5.605 50 10 JKGE Cn1nc(-c2ccccc2)c2c1OC(N)=C(C#N)[C@H]2c1ccc(OCc2ccccc2Cl)cc1 1865704004 KMEXYKPVABTDMM-HSZRJFAPSA-N 468.944 5.538 50 10 JKGE N#CC1=C(N)Oc2c(c(-c3ccccc3)nn2-c2ccc(Cl)c(Cl)c2)[C@@H]1c1ccc(F)cc1 1865708421 WNPPYAFQQRUQFA-OAQYLSRUSA-N 477.326 6.203 50 10 JKGE CCCc1nn(-c2ccc(Cl)c(Cl)c2)c2c1[C@@H](c1ccc(C(=O)OC)cc1)C(C#N)=C(N)O2 1865709306 UDICCOHZSHZUCI-FQEVSTJZSA-N 483.355 5.136 50 10 JKGE N#CC1=C(N)Oc2c(c(-c3ccccc3)nn2Cc2cccc(Cl)c2)[C@@H]1c1cccc(F)c1 1865711032 OKJPKVTVZBEPHU-JOCHJYFZSA-N 456.908 5.609 50 10 JKGE Cc1nn(Cc2ccc(Cl)cc2)c2c1[C@@H](c1cccc(OCc3ccccc3)c1)C(C#N)=C(N)O2 1865712163 RDHGAEXERWDCMR-SANMLTNESA-N 482.971 5.690 50 10 JKGE COC(=O)c1c(NC(=O)/C(C#N)=C/c2ccc(Cl)cc2)sc(C)c1-c1ccc(C)cc1 1866128382 OVDLARRRVIJGLH-LDADJPATSA-N 450.947 6.018 50 10 JKGE CCCC[C@H](NC(=O)C[C@H](c1ccc(OC)c(C)c1)C(C)C)C(=O)Nc1ccc(SC#N)cc1 1866774947 JTRUAPFNTFZQLP-ZEQRLZLVSA-N 481.662 6.020 50 10 JKGE CCCC[C@@H](NC(=O)[C@H](c1ccc(C(C)C)cc1)C(C)C)C(=O)Nc1ccc(SC#N)cc1 1866964240 SSEXPVIBXVMQKB-RPBOFIJWSA-N 465.663 6.436 50 10 JKGE Cc1c(OCc2cccc(CCl)c2)ccc2c1O/C(=C\c1ccccc1Br)C2=O 1871437250 OEZDUDYUTJYADJ-UUYOSTAYSA-N 469.762 6.692 50 10 JKGE CCCCOc1ccc(/C=C(\C#N)c2nc(-c3ccc(-c4ccccc4)cc3)cs2)cc1OC 1872782762 UKQPWJSFSRHVMF-KOEQRZSOSA-N 466.606 7.729 50 10 JKGE CCCCOc1ccc(/C=C(\C#N)c2nc(-c3ccc(OCCC)c(OCCC)c3)cs2)cc1 1872790008 DZHHDUIEXTZXTC-HAVVHWLPSA-N 476.642 7.631 50 10 JKGE Cl[C@@H]1C[C@H]1[C@H](Br)c1c(Br)sc(Br)c1Br 1893445905 HRBBTAJZDBFGTD-KUCRYNDESA-N 488.264 6.099 50 10 JKGE Clc1sccc1[C@@H](Br)c1ccc(OCc2ccccc2)cc1Br 1899853723 WMKZJPCYFFNSEX-KRWDZBQOSA-N 472.629 7.227 50 10 JKGE Cc1csc([C@H](Br)c2ccc(OCc3ccccc3)cc2Br)c1 1899865409 TVLZJGYYFYFITG-LJQANCHMSA-N 452.211 6.882 50 10 JKGE O=C(c1ccc(Br)c(C(F)(F)F)c1)N(CCCBr)Cc1ccccc1 1914648239 RTZFQNAAASIQHB-UHFFFAOYSA-N 479.134 5.895 50 10 JKGE Cc1c(Br)sc([C@@H](Br)C2CC3(CCCO3)C2)c1Br 1922935772 SBULLJWGBCOVKD-SLYADPJGSA-N 459.041 5.977 50 10 JKGE Clc1ccc(Cl)c([C@@H](Cl)c2c(Br)sc(Br)c2Cl)c1 1923039605 PRVQMSHNHBFNLJ-MRVPVSSYSA-N 469.840 7.562 50 10 JKGE Cc1cc([C@@H](Br)[C@H](C)c2ccncc2Br)sc1Br 1924033993 WVICCIBENZGNAH-PELKAZGASA-N 454.025 6.216 50 10 JKGE C[C@@H]1CC[C@@H]([C@H](Br)c2c(Br)sc(Br)c2Br)C1 1924570728 MHNMXJKLDYVSRC-JKMUOGBPSA-N 495.900 6.908 50 10 JKGE FC1(F)[C@H]2C[C@@H]([C@@H](Cl)c3c(Br)sc(Br)c3Br)CC[C@H]21 1924616598 QUAZRMIGKQJHIO-SOVPELCUSA-N 499.440 6.997 50 10 JKGE CCc1sc(Br)cc1[C@H](Br)c1cc(Cl)cc(Br)c1 2030223934 VXCQSENISMTADK-CYBMUJFWSA-N 473.455 6.973 50 10 JKGE CCN(CC)CCN(Cc1ccccc1)c1c(CBr)ccc(Br)c1Cl 2036843864 AQNIEBSREYGFHI-UHFFFAOYSA-N 488.695 6.346 50 10 JKGE Brc1cc(Br)c([C@@H](Br)c2cc3c(s2)CCOC3)s1 2041523063 QKMPQGXUZXNDQN-NSHDSACASA-N 473.049 5.892 50 10 JKGE Brc1cc(Br)c([C@H](Br)[C@@H]2CCCCC23CCC3)s1 2053387441 RQEWBOUQWOOMEJ-JOYOIKCWSA-N 457.069 7.070 50 10 JKGE Cc1cc(C=C(C#N)c2nc(-c3ccccc3)cs2)c(C)n1-c1cc(Cl)ccc1Cl 2053606950 AHWRKVBWMLSLRN-UHFFFAOYSA-N 450.394 7.589 50 10 JKGE Fc1cc(F)c([C@@H](Br)c2cc(Br)sc2Br)cc1Cl 2058879654 OULZZDLNHRRZKP-SNVBAGLBSA-N 481.381 6.689 50 10 JKGE Cc1ccc(Cn2nc(CBr)c(Br)c2C(F)(F)F)cc1C(F)(F)F 2079233692 CKKOZHHLHSHERG-UHFFFAOYSA-N 480.044 5.935 50 10 JKGE Fc1cc(Br)c(Cl)cc1[C@H](Cl)Cc1ccccc1I 2087569878 LRICAFZCOOOFFK-LLVKDONJSA-N 473.938 6.369 50 10 JKGE ClC[C@@H](Cc1ccc(Br)cc1Br)c1ccccc1Br 2092262280 YENFXTPQFIZDSX-LLVKDONJSA-N 467.426 6.539 50 10 JKGE FC1(F)CN(Cc2ccccc2)CCN(c2c(CCl)ccc(Br)c2Cl)C1 2098111210 QBLWTXDKPYAAGW-UHFFFAOYSA-N 464.181 5.799 50 10 JKGE Cc1cc(Br)c([C@H](Br)[C@H]2C[C@]2(C)C(F)(F)F)cc1Br 2105513719 ORPQZRCLZSYMSB-ZHAHWJHGSA-N 464.945 6.545 50 10 JKGE Fc1cccc(CC[C@H](Br)c2cccc(Br)c2)c1Br 2113489133 LKDSANIXKLFGPH-ZDUSSCGKSA-N 450.971 6.420 50 10 JKGE BrC[C@H]1CN(Cc2cc(Br)ccc2Br)CC12CCC2 2118529995 DRMSYHNFIITCNF-LBPRGKRZSA-N 452.028 5.209 50 10 JKGE O=C(NCC[C@H]1CCCC[C@H]1Br)c1cc(Br)sc1Br 2123029573 IRXNMTYPQSNJLS-PSASIEDQSA-N 474.056 5.347 50 10 JKGE Cc1c(Br)ccc([C@H](Br)CCOCC(F)(F)F)c1Br 2138848585 BAMXKFARNXOCDZ-SNVBAGLBSA-N 468.933 5.925 50 10 JKGE Cc1c(Br)ccc([C@H](Br)[C@@]23COC[C@@H]2C3(F)F)c1Br 2138871088 MCZATRFNHSDAIE-ZMLRMANQSA-N 460.938 5.238 50 10 JKGE COc1cc(Br)c(Oc2cncc(F)c2CBr)cc1Br 2143958358 NKDXBIUWALMWIR-UHFFFAOYSA-N 469.930 5.442 50 10 JKGE FC1(F)CC12CC(COc1c(Br)cc(CBr)cc1Br)C2 2154264172 OVAHNLOJGFPLGZ-UHFFFAOYSA-N 474.965 5.921 50 10 JKGE Clc1c(Br)sc(Br)c1[C@H](Cl)C1CC2(C1)CC1(CCC1)C2 2157156254 KXBHSIRPMLEPTN-SNVBAGLBSA-N 459.074 7.567 50 10 JKGE C[C@H](Cl)c1nc2cc(Br)c(Cl)cc2n1CC[C@H](C)N(C)Cc1ccccc1 2160079794 SBRVVEIUCUDUSR-GJZGRUSLSA-N 469.254 6.663 50 10 JKGE Cc1c(Cl)cc([C@@H](Br)[C@H](C)c2ccncc2Br)cc1Br 2167377372 OPFKNRVPQJADHD-GLEZIHRCSA-N 482.441 6.808 50 10 JKGE ClCCc1nc2cc(Cl)c(Br)cc2n1C1CC(COCc2ccccc2)C1 2169015025 GZYKWSWCXJWXMO-UHFFFAOYSA-N 468.222 6.401 50 10 JKGE CC[C@@H](Br)[C@H]1CCCCN1C(=O)c1c(Br)cccc1Br 2170604101 LFPXHAQHPFPCKI-ZWNOBZJWSA-N 468.027 5.380 50 10 JKGE Fc1cc(Br)cc(N2CC[C@@H]3CCN(Cc4ccccc4)C[C@@H]3C2)c1CCl 2170696133 ZIWWCYWWMPMUEH-ZWKOTPCHSA-N 451.811 5.675 50 10 JKGE Cc1cc(Br)c(CBr)c(N(C)Cc2ccccc2Br)c1 2173443454 CRDUSHKANBFUEW-UHFFFAOYSA-N 462.023 6.051 50 10 JKGE CCc1nn(-c2cc(C)cc(Br)c2CCl)c(CC)c1I 2173448450 ZQXKQMXHHPAMTR-UHFFFAOYSA-N 467.576 5.411 50 10 JKGE O=S(=O)(c1cc(Cl)cc(CBr)c1F)N(Cc1ccccc1)CC1CCCC1 2179863800 RPQRQJCCZXTODL-UHFFFAOYSA-N 474.823 5.755 50 10 JKGE C[C@@H]1Cc2cc([C@@H](Cl)c3ccc(Br)cc3I)ccc2O1 2207274167 ZGMIIUZVDXUNJJ-JDNHERCYSA-N 463.540 5.705 50 10 JKGE Clc1cc(CN2CC[C@@H]3CC[C@@H](Br)C[C@@H]3C2)ccc1I 2208044825 OELLNMZYNYSLFZ-BFHYXJOUSA-N 468.604 5.330 50 10 JKGE C[C@@H](Br)C[C@@H](C)c1sc(Br)c(Br)c1Br 2209974079 VSNNKHJZNPDPHZ-RFZPGFLSSA-N 469.862 6.313 50 10 JKGE CCCCCCCCCCO[C@@H]1CN(C(=O)OC(C)(C)C)C[C@H]1I 2216921042 LCXWYWFKPYHVFX-IAGOWNOFSA-N 453.405 5.567 50 10 JKGE Cc1nn(C)c(Br)c1[C@@H](Br)c1c(C)sc(Br)c1C 2218803409 PTWQOLIMIFXOHT-JTQLQIEISA-N 457.029 5.416 50 10 JKGE Cn1cc([C@@H](Cl)c2c(Br)cc(Cl)c(Cl)c2Cl)c(Br)n1 2224307429 NEBFRCUCQOSTFE-MRVPVSSYSA-N 467.803 6.234 50 10 JKGE C[C@H]1CCC[C@@H](COc2c(Br)cc(CBr)cc2Br)O1 2226837126 CTNRJJUNAZZYBX-ONGXEEELSA-N 457.000 5.443 50 10 JKGE Cc1cc(Br)c([C@H](Br)c2sc(C)c(C)c2C)cc1Br 2228580080 DSAJHPRYYKNCIE-AWEZNQCLSA-N 467.064 6.991 50 10 JKGE COc1ccc(CBr)c(Oc2ccc(Br)cc2Br)n1 2231307992 DSVLNVDSFLULNV-UHFFFAOYSA-N 451.940 5.302 50 10 JKGE CC(C)(C)OC(=O)N1CCC[C@](CI)(OC2CCC(C(F)(F)F)CC2)C1 2231401398 UKELERWDDAAPLU-MQBCKMQZSA-N 491.332 5.329 50 10 JKGE Clc1cc(Br)c([C@H](Br)[C@@H]2OC[C@H]3CCC[C@H]32)c(Cl)c1Cl 2233182952 HUNSTURSWXEQMN-JCPKOSJTSA-N 463.424 6.660 50 10 JKGE Cc1cc(Br)c([C@@H](Br)C2(C)CCCCCC2)c(C)c1Br 2235603909 LIYLIWGSNYJVBA-MRXNPFEDSA-N 467.083 7.625 50 10 JKGE Cc1cc(Br)c([C@H](Br)[C@@H]2CCC[C@@H]2C(C)C)c(C)c1Br 2235605418 RPXVHRZPMIBPFX-PBFPGSCMSA-N 467.083 7.337 50 10 JKGE COc1cc(Br)c([C@H](Cl)c2cccc(F)c2I)cc1C 2236026248 SYBBINCRIHBHFY-CQSZACIVSA-N 469.519 5.838 50 10 JKGE Cl[C@@H](Cc1cc(Br)cc(Br)c1)c1cc(Br)sn1 2252830435 QGBPPMMDMPIHPO-VIFPVBQESA-N 460.416 5.953 50 10 JKGE CCc1cc([C@@H](Cl)c2cccc(C)c2I)sc1Br 2256063256 YOELLVLKGMXYMJ-LBPRGKRZSA-N 455.586 6.314 50 10 JKGE Cc1cc(Br)c([C@H](Br)[C@H]2CCC[C@@H]2C(F)F)cc1Br 2270153150 BJGHTPUYZRTAKR-MWODSPESSA-N 460.982 6.637 50 10 JKGE COc1cc(Br)c([C@H](Br)c2cocc2Br)cc1OC 2270464753 RDYJKSHLODUULM-ZDUSSCGKSA-N 454.940 5.306 50 10 JKGE COc1c(Br)cc(Cl)cc1[C@@H](Br)c1cc(Br)c(C)s1 2277890025 SFTDCFAHHKJYPH-GFCCVEGCSA-N 489.454 6.728 50 10 JKGE CCC[C@H](CC(C)C)[C@@H](Br)Cc1cc(Br)cc(Br)c1 2277965855 NZCPNKZWJJWRBL-CJNGLKHVSA-N 455.072 6.980 50 10 JKGE Cc1cc(Br)cc([C@H](Br)c2cc3sc(Br)cc3s2)c1 2278101665 ORRYXLPBTAQWMB-AWEZNQCLSA-N 481.072 7.281 50 10 JKGE Cc1cc(Br)c([C@H](Br)c2cccc(F)c2Br)c(C)c1F 2279157037 PMYHZIBAPHOIAZ-CQSZACIVSA-N 468.961 6.591 50 10 JKGE COc1c([C@H](Br)c2cc(Cl)sc2Cl)cc(Br)c(C)c1C 2284589972 LPMSZWBRNKDZIC-LBPRGKRZSA-N 459.030 6.927 50 10 JKGE Fc1cc(Br)c(F)c(Br)c1[C@@H](Br)[C@@H]1CC[C@H]2C[C@H]1CO2 2288498378 GCWMXTFZRHYKNG-ZNWBZCOPSA-N 474.965 5.741 50 10 JKGE COc1cc(C=C(C#N)c2ccc([N+](=O)[O-])cc2)ccc1OCCOc1ccc([N+](=O)[O-])cc1 2294732762 MLGGFPBXMSUCNE-UHFFFAOYSA-N 461.430 5.034 50 10 JKGE ClCc1cc(Cl)c(OCc2cc(Br)ccc2Br)c(Cl)c1 2296310239 HCUMQTVUEMBKBS-UHFFFAOYSA-N 459.392 6.836 50 10 JKGE COc1cccc(C=C(C#N)c2nn(-c3ccccc3)c(N)c2C#N)c1OCc1ccccc1Cl 2296789693 SJPFDEYTWKLWQU-UHFFFAOYSA-N 481.943 5.631 50 10 JKGE CCN(CC)CCOC(=O)c1ccc(NC=C(C#N)c2nc(-c3ccc(OC)cc3)cs2)cc1 2297461779 YDFYLHUTCXYQNI-UHFFFAOYSA-N 476.602 5.294 50 10 JKGE CC(=C(CC(=O)c1ccccc1)c1ccccc1)C(=C(C#N)c1ccc([N+](=O)[O-])cc1)c1ccccc1 2297534761 RSHSXBIKEISXJX-UHFFFAOYSA-N 484.555 7.776 50 10 JKGE CC1(C)[C@@H]([C@H](Br)c2cc(Br)ccc2OCc2ccccc2)C1(F)F 2299529865 GSHAQQOMIHMOOV-IAGOWNOFSA-N 460.156 6.755 50 10 JKGE COc1ccc(C(=O)Oc2ccc(C=C(C#N)C(=O)Nc3cc(Cl)ccc3Cl)cc2)cc1 2313631192 LWQMLPKAESIZQS-UHFFFAOYSA-N 467.308 5.767 50 10 JKGE N#CC(=Cc1ccc(-c2c(Cl)cccc2Cl)o1)c1nc(O)c2cc(Br)ccc2n1 2314488578 LGBFJAOQMGFJMB-UHFFFAOYSA-N 487.140 6.729 50 10 JKGE Cc1c(Cl)cccc1[C@@H](Br)c1cc(Br)ccc1OCc1ccccc1 2314491153 PZDIAOZIVMSRMO-OAQYLSRUSA-N 480.627 7.474 50 10 JKGE Brc1cc(OCc2ccccc2)ccc1[C@H](Br)C[C@H]1CCC[C@@H]2C[C@@H]21 2314499375 BWMYOZPAFCNXST-SGLNWRHMSA-N 464.241 7.290 50 10 JKGE CCCCCN1C(=O)C(=Cc2cn(-c3ccccc3)nc2-c2c(C)cc(C)cc2C)C(C)=C(C#N)C1=O 2314610890 NXWAROVJAPQTQE-UHFFFAOYSA-N 492.623 6.247 50 10 JKGE Fc1ccc(F)c([C@@H](Br)c2sc(Cl)cc2I)c1F 2316658033 DZZFGISKXMIFGU-SECBINFHSA-N 467.475 5.908 50 10 JKGE COc1c(Br)cc(C)c([C@H](Br)CCC(F)F)c1Br 2317429678 UYDFSSVHJVHWFH-SSDOTTSWSA-N 450.943 6.010 50 10 JKGE Cc1cc(Br)c([C@@H](Cl)c2csc(C)c2Br)cc1Br 2320497030 GPWQQIAQIGXZKY-CYBMUJFWSA-N 473.455 6.981 50 10 JKGE Clc1nccc(Oc2cc(Br)cc(Br)c2)c1CBr 2321463838 DFMMONOFBUZHJR-UHFFFAOYSA-N 456.359 5.947 50 10 JKGE N#CC(=CNc1cc(Cl)ccc1Cl)C(=O)N1CCN(C(c2ccccc2)c2ccccc2)CC1 2324598924 HLQCNQFXCBWNHZ-UHFFFAOYSA-N 491.422 5.747 50 10 JKGE Cc1cc(-c2csc(C(C#N)=C(O)c3ccc4c(c3)C(=O)N(C(C)(C)C)C4=O)n2)ccc1F 2331320414 LEPQTXPPOJPACH-UHFFFAOYSA-N 461.518 5.602 50 10 JKGE COc1ccc(OC)c(-c2csc(C(C#N)=C(O)[C@@H]3CC(=O)N([C@H](C)c4ccccc4)C3)n2)c1 2331325077 GTZLGSHUZNMJBD-SJLPKXTDSA-N 475.570 5.230 50 10 JKGE Cc1cc(OCCCC(O)=C(C#N)c2nc(-c3ccc(C(C)C)cc3)cs2)cc(C)c1Cl 2331341536 GSQMXGKGAIOBBG-UHFFFAOYSA-N 467.034 7.856 50 10 JKGE COc1ccc(-c2csc(C(C#N)=C(O)CCCN3C(=O)c4ccccc4C3=O)n2)c2ccccc12 2331405143 VRJKVDYEFLLZSA-UHFFFAOYSA-N 495.560 5.841 50 10 JKGE CCOc1cc(C=C(C#N)c2nc(-c3ccc(OC)cc3)cs2)ccc1OCC(=O)N(CC)CC 2331431439 FWIDLPRGADNHMQ-UHFFFAOYSA-N 491.613 5.529 50 10 JKGE COc1cc(C=C(C#N)c2nc(-c3ccccc3)cs2)cc(Br)c1OC(C)C 2331439907 CNXFNBVIUVAULW-UHFFFAOYSA-N 455.377 6.433 50 10 JKGE Fc1cccc(Cl)c1C[C@H](Cl)c1ccc(OCc2ccccc2)cc1Br 2336082069 XDVLUGMQNQVVBU-FQEVSTJZSA-N 454.166 7.343 50 10 JKGE Fc1c(Br)cc(Cl)c([C@H](Br)C2CCCCCC2)c1Br 2337115325 ZORVOXRBFPERMQ-GFCCVEGCSA-N 477.437 7.411 50 10 JKGE Cc1c([C@H](Cl)c2ccc(OCc3ccccc3)cc2Br)ccc(Cl)c1Cl 2339051961 FPOCEOFXVXQDDV-NRFANRHFSA-N 470.621 7.972 50 10 JKGE CC[C@]12CO[C@]([C@@H](Br)c3c(Cl)cc(Br)c(F)c3Br)(C1)C2 2362233228 YBJPXXVUDJWJLH-MELADBBJSA-N 491.420 6.399 50 10 JKGE CCc1ccc([C@@H](Br)c2c(Cl)cc(Br)c(F)c2Br)cc1 2362256985 CJUHUBMDJZGJFF-CYBMUJFWSA-N 485.416 7.051 50 10 JKGE Cc1cc(Br)c(F)c(Br)c1[C@H](Br)[C@@H]1CC[C@@H]2[C@H]1C2(F)F 2365224449 YLFMXXHBIXYFGJ-FEMGGFCSSA-N 476.956 6.386 50 10 JKGE Fc1cc(Cl)c([C@H](Br)Cc2ccc(Br)cc2Cl)c(Cl)c1 2366419426 KGZVTCLZCHTPNC-SNVBAGLBSA-N 461.383 7.227 50 10 JKGE CC(C)n1ncc(Br)c1C[C@@H](CBr)c1ccc(Br)cc1 2367984306 CDTRKXMJRASGSL-LBPRGKRZSA-N 465.027 5.710 50 10 JKGE ClC[C@H](Cc1cc(I)ccc1Cl)Cc1ccccc1Br 2380519057 JJHTUNOIVCSEKK-NSHDSACASA-N 484.002 6.347 50 10 JKGE COc1cc(/C=C(\C#N)c2ccc(Cl)cc2)cc(Cl)c1OCc1cccc([N+](=O)[O-])c1 2847161 FMTYYBXRIUERFG-GIJQJNRQSA-N 455.297 6.553 50 10 JKGE O=C(CCCOc1ccc(Cl)cc1Cl)N/N=C(\C=C\c1ccccc1)c1ccccc1 12578042 ULKITGCBQGVFGE-RZXCGGBJSA-N 453.369 6.386 50 10 JKGE C[C@H](Oc1ccc(-c2ccccc2)cc1)C(=O)NNC(=O)CCCOc1ccc(Cl)cc1Cl 14038651 PGRBRZWDBADVMZ-KRWDZBQOSA-N 487.383 5.434 50 10 JKGE Cc1c(NC(=O)NC(=O)c2c(F)cccc2F)ccc(SC(F)(F)[C@H](F)Cl)c1C 31500185 COTDVYWZNRMARX-INIZCTEOSA-N 452.832 5.763 50 10 JKGE COc1ccc(/C(C#N)=C\c2ccc(OC(=O)/C=C/c3ccc(Cl)cc3Cl)cc2)cc1OC 31901108 HEVLOOCMNYGJTO-AADXMYGNSA-N 480.347 6.694 50 10 JKGE COCCCNC(=O)/C(C#N)=C\c1cn(-c2ccccc2)nc1-c1ccc(OCc2ccccc2)cc1 33378981 RENHOTDJQRDQKP-PLRJNAJWSA-N 492.579 5.178 50 10 JKGE CC(C)(C)c1ccc(C(=O)Nc2ccc(C(=O)NNC(=O)/C=C\c3cccc4ccccc34)cc2)cc1 33507133 WHUVLCXRPZCODZ-HKWRFOASSA-N 491.591 5.864 50 10 JKGE CCCOc1cccc(-c2nn(-c3ccccc3)cc2/C=C(\C#N)S(=O)(=O)c2ccc(C)cc2)c1 35446658 ICJVPGXVSLLQIU-OVVQPSECSA-N 483.593 5.975 50 10 JKGE COc1cc(/C=C(/C#N)c2nc(-c3ccc(C)cc3)cs2)ccc1OCC(=O)Nc1ccccc1 35519941 FBDHPHXAHBBYFF-HMAPJEAMSA-N 481.577 6.209 50 10 JKGE COc1nc(-c2cccc(C(F)(F)F)c2)n(-c2ccc(NC(=O)[C@H](Cl)c3ccccc3)cc2)n1 35794119 OQKHXFYXVXMCPE-HXUWFJFHSA-N 486.881 5.880 50 10 JKGE C=CCOc1ccc(-c2nn(-c3ccccc3)cc2/C=C2/C(=O)N(CC=C)C(=O)C(C#N)=C2C)cc1C 38607603 ZUXMYUFQLALKNE-KOEQRZSOSA-N 490.563 5.191 50 10 JKGE CCOc1ccc([C@@H](O)CCC(=O)N/N=C\c2cn(Cc3ccc(F)cc3)c3ccccc23)cc1 58893488 APJNSVATBYRCSE-FNJJVTQMSA-N 473.548 5.191 50 10 JKGE Cc1ccccc1[C@@H](C(=O)NC1CCCCC1)N(CCc1ccccc1Cl)C(=O)CCl 97914459 IERIASDERQIKCE-DEOSSOPVSA-N 461.433 5.449 50 10 JKGE COc1ccc(OC)c([C@H](C(=O)NC2CCC(C)CC2)N(Cc2ccc(C)cc2)C(=O)CCl)c1 97914772 TUPOQHNSHXKMKY-YBFPRZSNSA-N 487.040 5.016 50 10 JKGE Oc1cccc2cccc(-c3cccc4cccc(P(c5ccccc5)c5ccccc5)c34)c12 100521658 PQFJWIICYVHBHB-UHFFFAOYSA-N 454.509 7.124 50 10 JKGE COC(=O)c1cc(OC)c(OC)cc1N/C=C(/C#N)c1nc(-c2ccc(Cl)c(Cl)c2)cs1 102420359 ZXNGCZPWLVBXSE-RAXLEYEMSA-N 490.368 5.897 50 10 JKGE Brc1cc([C@@H](Br)C23CC4CC(CC(C4)C2)C3)c(Br)s1 109870253 HAFNLXZOXDUMDF-FYVZZRRKSA-N 469.080 6.926 50 10 JKGE COc1ccc([C@@H](Br)c2cccc(I)c2)c(Br)c1 109877286 PORDHWSSQWLNQX-AWEZNQCLSA-N 481.953 5.547 50 10 JKGE Fc1cccc(C(CBr)(CBr)Cc2cc(Br)cs2)c1 118671352 FTURJFZIGUCXGE-UHFFFAOYSA-N 471.027 5.920 50 10 JKGE Fc1ccc(CC(CBr)(CBr)c2ccc(Br)cc2)c(F)c1 118878468 KCBOAAQYFUDXLT-UHFFFAOYSA-N 482.988 5.998 50 10 JKGE COc1ccc(C[C@@H](Br)c2cc(Br)c(Br)s2)cc1 128198490 ZVJFZXQGAWRJRI-SNVBAGLBSA-N 455.009 5.960 50 10 JKGE Fc1cccc(COc2ccc(Br)c(CBr)c2)c1Br 129035259 FTILAUHMVMDYGV-UHFFFAOYSA-N 452.943 5.825 50 10 JKGE Brc1cc([C@H](Br)c2cc3c(s2)CCSC3)c(Br)s1 130420677 HDLPMKDSXRFRBL-NSHDSACASA-N 489.117 6.608 50 10 JKGE COc1cc([C@@H](Cl)c2cccc(Br)c2Cl)c(OC)cc1Br 134289611 WEFRZSNOTYIAIR-AWEZNQCLSA-N 454.973 6.210 50 10 JKGE COc1cc([C@@H](Br)c2sccc2Br)c(OC)cc1Br 134297493 TWGVPXPYXOVATN-GFCCVEGCSA-N 471.008 5.775 50 10 JKGE COc1cc([C@H](Br)c2cccc(Cl)c2Cl)c(OC)cc1Br 134302914 SXKRRHIDQQYLCG-CQSZACIVSA-N 454.973 6.257 50 10 JKGE Cc1cc(Br)c([C@H](Br)CC2CCCCCC2)cc1Br 162210306 NVSBHXXTZGMJBM-MRXNPFEDSA-N 453.056 7.317 50 10 JKGE CCCOc1ccc(-c2nn(-c3ccccc3)cc2/C=C2\C(=O)N(CCC)C(=O)C(C#N)=C2C)cc1C 214216909 FDJLCUZGTNUKMT-UQQQWYQISA-N 494.595 5.639 50 10 JKGE C[C@H]1CC[C@@H](CC(CBr)(CBr)c2ccc(Br)cc2)O1 232063441 OYFHHGYKTLBYHG-FZMZJTMJSA-N 455.028 5.434 50 10 JKGE Cc1cc(F)cc(C)c1[C@H](Br)c1cc(I)ccc1Br 235786142 JMDMULGFRQGCEJ-OAHLLOKOSA-N 497.971 6.294 50 10 JKGE CCn1ncc(C=NNC(=O)c2cc(-c3ccc(Cl)c(Cl)c3)nc3ccccc23)c1C 252592757 BGOXJYUQRHODHP-UHFFFAOYSA-N 452.345 5.497 50 10 JKGE O=C(NN=Cc1c2ccccc2cc2ccccc12)c1cc(-c2ccccc2)nc2ccccc12 254296233 PZASICHLGKOBHY-UHFFFAOYSA-N 451.529 6.972 50 10 JKGE CCCCCCCCCCCCCCCCCC(=O)NN=Cc1cc(OC)c(OC)cc1OC 254489846 IVFGVUDUTOSPNQ-UHFFFAOYSA-N 476.702 7.424 50 10 JKGE CCC(=NNC(=O)c1ccc(COc2ccccc2-c2ccccc2)cc1)c1cccc(Cl)c1 254709159 DENJBTQWOGKMGJ-UHFFFAOYSA-N 468.984 7.130 50 10 JKGE COc1ccc(-c2nn(-c3ccccc3)cc2C=NNC(=O)c2ccc(-n3c(C)ccc3C)cc2)cc1 263632390 HXPRLWKQJWYSTF-UHFFFAOYSA-N 489.579 5.719 50 10 JKGE O=C1Cc2cc([C@@H](Br)c3ccc(OCc4ccccc4)cc3)c(Br)cc2N1 312468553 WWOOICRRDURHGX-QFIPXVFZSA-N 487.191 6.007 50 10 JKGE BrCC(CBr)(Cc1ccccc1)Cc1ncccc1Br 312675324 MHKWQKQCIPXGHX-UHFFFAOYSA-N 462.023 5.406 50 10 JKGE O=C(OCc1ccccc1)N1C[C@H](CBr)[C@@H](c2ccc(Br)s2)C1 382711394 HIZJASRONYKAFQ-KBPBESRZSA-N 459.203 5.258 50 10 JKGE O=C(OCc1ccccc1)N1C[C@@H](CCl)[C@@H](c2cc(Cl)ccc2I)C1 382727755 RQBNHOBVQXTICA-PBHICJAKSA-N 490.168 5.536 50 10 JKGE CN(C(=O)OC(C)(C)C)c1ccccc1[C@H]1CCCCCN1CCO[Si](C)(C)C(C)(C)C 616624510 POBWIMMSKVTZOI-HSZRJFAPSA-N 462.751 6.997 50 10 JKGE Brc1cc2c(c([C@@H](Br)c3ccccc3Br)c1)OCCC2 688377504 CHDXXNTXUBZQOG-HNNXBMFYSA-N 460.991 6.021 50 10 JKGE CCOc1ccc(Br)cc1[C@H](Br)c1ccsc1Br 698550067 GUDVNDMMBWYTGJ-GFCCVEGCSA-N 455.009 6.156 50 10 JKGE Fc1cc(F)c([C@H](Br)c2scc(Br)c2Br)cc1F 705424232 HHDPREFTJYLZRN-VIFPVBQESA-N 464.926 6.175 50 10 JKGE BrCc1ccc(Br)cc1N1C[C@H]2CC[C@H]1[C@@H]1CN(Cc3ccccc3)C[C@H]21 705884321 YVTDJQCIHWNDHI-NMIHRBCNSA-N 490.283 5.691 50 10 JKGE Cl[C@@H](c1ccc(I)c(Br)c1)c1ccc2c(c1)CCCO2 721617150 VVHBWUGKIUMBFF-MRXNPFEDSA-N 463.540 5.707 50 10 JKGE Cc1cccc(C)c1-n1c(C)cc(C=NNC(=O)CSC2c3ccccc3-c3ccccc32)c1C 1083926465 GOIRDZWZLFUBAP-UHFFFAOYSA-N 479.649 6.664 50 10 JKGE C=CCOc1c(Br)cc(/C=C(/C#N)C(=O)Nc2ccccc2)cc1Br 1084189020 YSLJJZKRHGTKEO-ZROIWOOFSA-N 462.141 5.322 50 10 JKGE N#C/C(=C/c1cc(Cl)ccc1OCc1ccccc1Cl)C(=O)Nc1cccc([N+](=O)[O-])c1 1084638485 DSUGFZILUJLMCB-YVLHZVERSA-N 468.296 6.026 50 10 JKGE COc1ccc(/C(C#N)=C/c2cccc(OC(=O)COc3ccc(Cl)cc3Cl)c2)cc1 1615066365 BCLABINAXFFTLN-WOJGMQOQSA-N 454.309 6.051 50 10 JKGE COc1ccc(NC(=O)c2oc3c(c2C)C(=NNC(=O)c2ccc(Br)cc2)CCC3)cc1 1772744464 XXZYSEZXFCVHOO-UHFFFAOYSA-N 496.361 5.082 50 10 JKGE Cc1c(C(=O)Nc2cccc(C(F)(F)F)c2)oc2c1C(=NNC(=O)c1cccc(Cl)c1)CCC2 1772745906 KGCIPMPXUZPFCE-UHFFFAOYSA-N 489.881 5.983 50 10 JKGE COc1ccc(NC(=O)c2oc3c(c2C)C(=NNC(=O)c2cccc4ccccc24)CCC3)c(OC)c1 1772747913 LURZLOMLXGLRCV-UHFFFAOYSA-N 497.551 5.481 50 10 JKGE Cc1ccc2c(CC(=O)NN=C3CCCc4oc(C(=O)NCc5ccccc5)c(C)c43)coc2c1C 1772751883 OZPZDDRMOPLFGR-UHFFFAOYSA-N 483.568 5.280 50 10 JKGE CCCCOc1ccc(C=NNC(=O)CSc2nc(-c3ccccc3)cs2)cc1OCC 1772755120 ODAJPHDELOCJRZ-UHFFFAOYSA-N 469.632 5.630 50 10 JKGE N#CSc1ccc(NC(=O)Oc2cccc3c(NC(=O)c4ccc([N+](=O)[O-])cc4)cccc23)cc1 1858774247 WTSPWTRWOCAQTO-UHFFFAOYSA-N 484.493 6.184 50 10 JKGE O=C(/C=C/c1ccc(Cl)cc1Cl)NNC(=O)c1ccc(-c2ccc3ccccc3c2)s1 1860391797 VUPIYHOZFVVHEY-XYOKQWHBSA-N 467.377 6.350 50 10 JKGE COc1ccc(-c2nn(Cc3ccccc3F)c3c2[C@@H](c2ccccc2F)C(C#N)=C(N)O3)cc1 1865682935 BGTLCEOGWSXVMD-QHCPKHFHSA-N 470.479 5.103 50 10 JKGE N#CC1=C(N)Oc2c(c(-c3ccccc3)nn2Cc2cccc(F)c2)[C@@H]1c1c(Cl)cccc1Cl 1865685986 PAXJBWQGHSTDBP-NRFANRHFSA-N 491.353 6.262 50 10 JKGE CCCCOc1ccc([C@@H]2C(C#N)=C(N)Oc3c2c(C)nn3Cc2ccc(Cl)cc2)cc1OCC 1865687590 VOMOSXQHOGTEJJ-RUZDIDTESA-N 493.007 5.689 50 10 JKGE CCCCOc1ccc([C@H]2C(C#N)=C(N)Oc3c2c(CC)nn3Cc2ccc(Cl)cc2)cc1 1865690103 IUODPCPZRCPBSQ-QHCPKHFHSA-N 462.981 5.544 50 10 JKGE COc1ccc(-c2nn(-c3ccccc3)c3c2[C@H](c2cn(C)c4ccccc24)C(C#N)=C(N)O3)cc1 1865699181 NDFQDIDFZWFJJM-VWLOTQADSA-N 473.536 5.258 50 10 JKGE N#CC1=C(N)Oc2c(c(-c3ccccc3)nn2Cc2ccccc2Cl)[C@@H]1c1ccc(F)cc1 1865708592 YOJTVIVBUZFLCA-JOCHJYFZSA-N 456.908 5.609 50 10 JKGE CCCc1nn(-c2ccc(Cl)c(Cl)c2)c2c1[C@H](c1ccccc1OC)C(C#N)=C(N)O2 1865710299 UJMUCQFSWOBSMH-HXUWFJFHSA-N 455.345 5.358 50 10 JKGE CC(C)c1nc(Nc2ccc(SC#N)cc2)cc(N2C[C@H](C)O[C@@H](c3ccc(F)cc3)C2)n1 1868231361 DXHCXVADSYYHIA-HTAPYJJXSA-N 463.582 6.022 50 10 JKGE CC(C)c1nc(Nc2ccc(SC#N)cc2)cc(N2CCC[C@@H](C(=O)CCCc3ccccc3)C2)n1 1868231598 LTSVLBMQDBBUPP-HSZRJFAPSA-N 499.684 6.725 50 10 JKGE COc1ccc(Br)cc1/C=C1\Oc2cc(OC(=O)C(Cl)Cl)cc(C)c2C1=O 1871386058 AZDLKHAKDBTLLQ-CHHVJCJISA-N 472.118 5.091 50 10 JKGE N#C/C(=C(/O)c1ccc(-c2ccccc2)cc1)c1nc(-c2ccc(-c3ccccc3)cc2)cs1 1872744207 YHJFCOWVFJJNCU-OHYPFYFLSA-N 456.570 8.094 50 10 JKGE COc1ccc(-c2csc(/C(C#N)=C(\O)c3ccc(N4C(=O)c5ccccc5C4=O)cc3)n2)cc1 1872746181 WPJCSUDRXLNDJM-GYHWCHFESA-N 479.517 5.569 50 10 JKGE Cc1cc(C)c(C)c(-c2csc(/C(C#N)=C(\O)CCCN3C(=O)c4ccccc4C3=O)n2)c1C 1872754582 ZPATVUUOGLKXJA-LNVKXUELSA-N 471.582 5.913 50 10 JKGE COc1cc(-c2csc(/C(C#N)=C(\O)c3ccc(-c4ccccc4)cc3)n2)c(OC)cc1Cl 1872755058 WJYSXFQJNYCKNW-QQTULTPQSA-N 474.969 7.098 50 10 JKGE COc1cc(C)c(-c2csc(/C(C#N)=C/c3ccc(OCc4ccccc4)cc3)n2)cc1C 1872794427 AUSKZIPLYVQVHH-HZHRSRAPSA-N 452.579 7.079 50 10 JKGE COc1ccc([C@@H](CNC(=O)/C(C#N)=C/c2ccccc2)c2c[nH]c3ccccc23)cc1OC 1873768732 BUPKRBWXMMGQDA-XOYGFPHKSA-N 451.526 5.040 50 10 JKGE COc1cc(/C=C/C(O)=C(\C#N)c2nc(-c3cccc([N+](=O)[O-])c3)cs2)cc(OC)c1OC 1873940877 LNNBFTYZZFILSO-YLDZBIJKSA-N 465.487 5.250 50 10 JKGE C[C@@H]1C[C@]2([C@@H](Br)c3c(Br)sc(Br)c3Br)C[C@H]12 1894454122 KHXKYTZPMCHXDX-RTYRLOAJSA-N 493.884 6.518 50 10 JKGE C[C@@H](CCl)N(Cc1ccccc1)C(=O)c1cc(Br)ccc1I 1914226688 BVSLFOKCZNKERZ-LBPRGKRZSA-N 492.582 5.323 50 10 JKGE C[C@H](c1cccs1)N(Cc1ccccc1)S(=O)(=O)c1ccc(CCl)c(Br)c1 1914891577 NNDQKJQURBKBHS-OAHLLOKOSA-N 484.868 6.202 50 10 JKGE Cc1c(Br)sc([C@@H](Br)Cc2cccc(F)c2F)c1Br 1922885327 UTCNSLIZYLWQPN-QMMMGPOBSA-N 474.990 6.538 50 10 JKGE Fc1c(F)c(F)c([C@H](Cl)c2sc(Br)cc2Br)c(F)c1F 1922887556 TXURZGISUNHIGW-YFKPBYRVSA-N 456.455 6.297 50 10 JKGE Cc1c(Br)sc([C@@H](Cl)c2ccc(Br)cc2F)c1Br 1922945464 GQZGTAKTWSYHHR-JTQLQIEISA-N 477.418 6.811 50 10 JKGE Clc1c(Br)sc(Br)c1[C@H](Br)C[C@H]1CCOC1 1923050446 VJBCCLNWNHRPHF-PHDIDXHHSA-N 453.421 5.789 50 10 JKGE CC(C)=CCCCCCC[C@@H]1[C@H](O[Si](C)(C)C)C[C@@H](O[Si](C)(C)C)[C@@H]1CC=C(C)C 1933278094 RZDOPDZMBDSQRN-BKKFENPESA-N 452.872 8.726 50 10 JKGE CC1(C)CN(Cc2ccccc2)CCN1c1cc(Br)ccc1CBr 1997374545 SGXIPVARIUCQPD-UHFFFAOYSA-N 452.234 5.445 50 10 JKGE CCc1sc(Br)cc1[C@@H](Br)c1nc(C)sc1Br 2003569097 MQKLXUUSBVIRKS-SECBINFHSA-N 460.054 6.085 50 10 JKGE CC(C)(CC(F)F)[C@@H](Br)c1c(Br)sc(Br)c1Cl 2015996585 GHZIGTJMFAQUKI-ZETCQYMHSA-N 475.418 7.044 50 10 JKGE Clc1ccc(Cl)c([C@@H](Br)c2c(Br)cccc2Br)c1 2033084644 RUSNDUIYQVJTLI-CYBMUJFWSA-N 473.817 7.003 50 10 JKGE FC(F)(F)c1csc([C@H](Cl)c2cscc2OCc2ccccc2)c1Br 2038686804 SZGBQUNFIVZMGS-OAHLLOKOSA-N 467.759 7.498 50 10 JKGE Cc1nn(C)c(Br)c1[C@H](Cl)c1c(Cl)sc(Br)c1Cl 2065891434 ZAEGFNDYSIGYCS-LURJTMIESA-N 453.414 5.950 50 10 JKGE COc1cc(Cl)c([C@H](Br)c2sncc2Br)cc1Br 2082384928 LZSIWBQARPLVLN-JTQLQIEISA-N 476.415 5.814 50 10 JKGE Brc1cccc(Br)c1CN1CC[C@@H]2C[C@H](Br)CC[C@@H]21 2094090926 MRSNHNXURAKDNS-HFAKWTLXSA-N 452.028 5.350 50 10 JKGE FC(F)c1cccc([C@@H](Cl)c2c(Br)sc(Br)c2Cl)c1 2115949532 VCSQRDNPXGTNBT-MRVPVSSYSA-N 450.957 7.192 50 10 JKGE O=S(=O)(c1ccc(Cl)c(CBr)c1Cl)N(Cc1ccccc1)CC(F)(F)F 2123253033 XDUQXUHYNFHBJI-UHFFFAOYSA-N 491.156 5.642 50 10 JKGE C[C@@]1([C@@H](Cl)c2c(Br)sc(Br)c2Cl)CCCC(F)(F)C1 2132123019 MEECZBHVTPTTMV-GZMMTYOYSA-N 457.005 7.422 50 10 JKGE FCCOc1ccccc1[C@@H](Br)c1cc(Br)c(Br)s1 2132980311 ANMSQUMWVCEFDX-GFCCVEGCSA-N 472.999 6.106 50 10 JKGE Cc1c(Br)ccc([C@@H](Br)C[C@@H](C)CC(C)(C)C)c1Br 2138854663 UOFCREBXZJOZLN-YGRLFVJLSA-N 455.072 7.418 50 10 JKGE Cc1c(Br)ccc([C@@H](Br)c2nn(C)c(Cl)c2Cl)c1Br 2138861526 HBQOKQMXPJSJBO-SECBINFHSA-N 491.836 6.045 50 10 JKGE FC1(F)CCCCC[C@H]1[C@H](Br)c1ccc(Br)cc1Br 2138873800 QQZBCDHWRPYBNK-WCQYABFASA-N 460.982 6.863 50 10 JKGE Fc1ccc(C(CBr)(CBr)Cc2cc(Br)sn2)cc1 2139780701 PXZPVZMIQJGAQQ-UHFFFAOYSA-N 472.015 5.315 50 10 JKGE BrC[C@@H]1CCC2(CCC2)N1Cc1cccc(Br)c1Br 2140847754 SOKHTJQUXJXUDF-LBPRGKRZSA-N 452.028 5.494 50 10 JKGE COc1ccc(Br)cc1[C@H](Cl)c1ccc(I)c(C)c1 2142141401 UUZKOJJTXBAXEJ-OAHLLOKOSA-N 451.529 5.699 50 10 JKGE Cl[C@H](c1cc2c(cc1Br)OCCCO2)c1cscc1OCc1ccccc1 2156307094 SYFAHVZTOLLFTP-OAQYLSRUSA-N 465.796 6.579 50 10 JKGE C[C@H]1CC[C@@H](CCC(CBr)(CBr)c2cccc(Br)c2)O1 2161109060 BBFXNSYTHAQLOH-WFASDCNBSA-N 469.055 5.824 50 10 JKGE FC(F)(F)Oc1ccc([C@@H](Br)c2sccc2Br)cc1Cl 2163399623 WAUTZYIHTZNXSA-SNVBAGLBSA-N 450.501 6.547 50 10 JKGE Clc1sc([C@@H](Cl)c2ccc(Br)c3ccccc23)cc1Br 2172570616 YVNLNXBRWDLTEU-AWEZNQCLSA-N 451.010 7.408 50 10 JKGE FC1([C@@H](Br)c2cc(I)cc3c2OCC3)CC2(CCC2)C1 2184396726 XRPZRBUGYLNTLZ-AWEZNQCLSA-N 451.117 5.335 50 10 JKGE COc1cc2c(cc1Br)nc([C@H](C)Cl)n2C[C@H](C)COCc1ccccc1 2202312270 RDNALZZTYHJTPX-GJZGRUSLSA-N 451.792 5.960 50 10 JKGE COc1c(Cl)cc(Br)cc1[C@H](Br)c1cccc(Cl)c1Cl 2203000655 FYNSCHNJJSAKHT-GFCCVEGCSA-N 459.392 6.902 50 10 JKGE C[C@@H](c1sc(Br)c(Br)c1Br)[C@@H](C)Br 2209349846 UQTNAPHUKYPNFG-QWWZWVQMSA-N 455.835 5.923 50 10 JKGE CCN(C[C@](C)(CI)O[C@@H]1CCCC(F)(F)C1)C(=O)OC(C)(C)C 2216582786 OENLFIMZVVIMKK-CJNGLKHVSA-N 461.331 5.032 50 10 JKGE Cc1nn(C)c(Br)c1[C@@H](Br)c1sc(Br)c(C)c1C 2218788967 FQBUHEFYBFRZNJ-SECBINFHSA-N 457.029 5.416 50 10 JKGE Cc1cccc(Br)c1[C@@H](Br)c1sc(Br)c(C)c1C 2218792522 XQDYVFWFDFWCAZ-GFCCVEGCSA-N 453.037 6.683 50 10 JKGE Cc1ccc([C@H](Br)c2sc(Br)c(C)c2C)cc1Br 2218793247 ZRRJSIODQJOTIE-LBPRGKRZSA-N 453.037 6.683 50 10 JKGE COCc1ccccc1[C@H](Br)c1cc(Br)c(Br)cc1F 2233976299 OEARRAGCWQBDEB-HNNXBMFYSA-N 466.970 5.981 50 10 JKGE Cc1cc(Br)c([C@@H](Br)[C@@H]2[C@H]3CCCCC[C@H]32)c(C)c1Br 2235599260 LQLJACCKERSENE-PZNPJNSTSA-N 465.067 7.091 50 10 JKGE Cc1cc(F)cc([C@H](Br)c2c(Br)cc(C)c(Br)c2C)c1 2235601854 BKXUTTLOBLAFLY-INIZCTEOSA-N 464.998 6.760 50 10 JKGE Brc1cc(Br)cc([C@@H](Br)c2ccc([C@@H]3CCOC3)s2)c1 2240426722 LQBJWGJYKRWFRH-RFAUZJTJSA-N 481.047 6.261 50 10 JKGE O=C(c1cc(F)c(Br)cc1Cl)N(CCCBr)Cc1ccccc1 2243478247 VYGJDBJDVLVBKZ-UHFFFAOYSA-N 463.572 5.669 50 10 JKGE Cc1c(Br)sc([C@H](Br)c2cc(F)c(Br)cc2Cl)c1C 2267750020 QFOAETIHQDUFSL-LLVKDONJSA-N 491.445 7.167 50 10 JKGE COc1ccc([C@@H](Cl)c2sc(C)c(Br)c2C)cc1I 2269554227 RNOHUVSYGCZUBV-CYBMUJFWSA-N 471.585 6.069 50 10 JKGE Fc1cccc(Br)c1CC[C@@H](Br)c1ccc(Br)cc1 2274027557 MDNHPHLXCOCPOV-CYBMUJFWSA-N 450.971 6.420 50 10 JKGE CC(C)c1cc(Br)cc(C[C@@H](Br)c2ccc(Br)cc2)c1 2280687179 BVQSVBRXANJGGK-QGZVFWFLSA-N 461.035 7.014 50 10 JKGE Clc1cc([C@@H](Br)c2cccc(Cl)c2Br)c(Cl)c(Cl)c1Cl 2283200906 XNFNGJYDZBNGGT-VIFPVBQESA-N 498.256 8.200 50 10 JKGE COc1cc(F)c([C@H](Cl)c2ccc(Cl)c(I)c2)cc1Br 2283568373 MWMRABBZMZYETB-CQSZACIVSA-N 489.937 6.183 50 10 JKGE COc1c([C@H](Br)c2c(Br)cc(Cl)c(Cl)c2Cl)csc1C 2287317528 PXKGKELFWMFECC-JTQLQIEISA-N 479.448 7.272 50 10 JKGE N#CC(=Cc1cn(-c2ccccc2)nc1-c1ccc(Br)cc1)C(=O)NCc1ccco1 2296537456 NZWZVAATCGUKLN-UHFFFAOYSA-N 473.330 5.118 50 10 JKGE N#CC(=Cc1cc(Br)ccc1OCc1ccccc1Cl)c1nc2ccccc2[nH]1 2297453363 KRHFEPNXCQSQCX-UHFFFAOYSA-N 464.750 6.622 50 10 JKGE Cc1csc([C@H](Cl)c2cc(Br)ccc2OCc2ccccc2)c1Br 2299524895 IPJVECMTXKYKRQ-GOSISDBHSA-N 486.656 7.489 50 10 JKGE FC1(F)C[C@@]1(CBr)CSc1cc(I)ccc1Br 2306975840 OUDGNMVFONTJDF-SNVBAGLBSA-N 497.968 5.566 50 10 JKGE N#CC(=Cc1cc(Cl)ccc1OCc1ccccc1F)C(=O)Nc1cccc(C(F)(F)F)c1 2313730294 MGPPXMJHQWRLPE-UHFFFAOYSA-N 474.841 6.623 50 10 JKGE COC1(C[C@H](Br)c2ccc(OCc3ccccc3)cc2Br)CCCC1 2314500520 OFFVYKDGQGWCBJ-FQEVSTJZSA-N 468.229 6.813 50 10 JKGE N#CC(=Cc1ccc(-c2ccc(Cl)cc2)o1)C(=O)Nc1cc(C(F)(F)F)ccc1Cl 2314572003 QKHQSKSCNBCATE-UHFFFAOYSA-N 451.231 6.818 50 10 JKGE N#CC(=Cc1ccc(-c2cc(C(F)(F)F)ccc2Cl)o1)C(=O)Nc1cccc2ccccc12 2314572269 XJHYDJJNVLEWBU-UHFFFAOYSA-N 466.846 7.318 50 10 JKGE CCCCOc1ccc(C=C(C#N)C(=O)Nc2nc(-c3ccc(Br)cc3)c(C)s2)cc1 2314792602 AUKDJMXGWMXVMK-UHFFFAOYSA-N 496.430 6.606 50 10 JKGE CCN[C@@H](c1c(Cl)cc(Br)c(F)c1Br)[C@@H]1C[C@H]1Br 2315465618 NZTSWTVJACPWRP-IJESPZCISA-N 464.398 5.438 50 10 JKGE Cn1cnc(Br)c1[C@@H](Br)c1cc(Cl)c(Br)cc1F 2315635385 IXLDIFATYLZBHK-VIFPVBQESA-N 461.354 5.222 50 10 JKGE CCc1cc(Br)c([C@@H](Cl)c2ccc(Cl)cc2I)s1 2317774879 SQEFCGWRLWKMKS-LBPRGKRZSA-N 476.004 6.659 50 10 JKGE CCCCC1CCC(C(=O)NN=C2C(=O)N(Cc3ccccc3Cl)c3ccccc32)CC1 2326839946 BMIVETSJFFNGMU-UHFFFAOYSA-N 451.998 5.704 50 10 JKGE CCCCc1ccc(-c2csc(C(C#N)=C(O)[C@@H](C)N3C(=O)c4ccccc4C3=O)n2)cc1 2331255913 GYIKHNNUWNFSBP-MRXNPFEDSA-N 457.555 5.630 50 10 JKGE CC(C)[C@H](C(O)=C(C#N)c1nc(-c2ccc(Cl)c(Cl)c2)cs1)N1C(=O)c2ccccc2C1=O 2331311503 OKVKUGYODQYILX-HXUWFJFHSA-N 498.391 6.230 50 10 JKGE CCCCCCCOc1ccc(-c2csc(C(C#N)=C(O)COc3cccc(C)c3C)n2)cc1 2331345445 KZZXLAKQGFJBBJ-UHFFFAOYSA-N 476.642 7.648 50 10 JKGE COc1c(C)cc(C)cc1-c1csc(C(C#N)=C(O)c2cc([N+](=O)[O-])cc([N+](=O)[O-])c2C)n1 2331376342 UNMIJFXCOOSUSN-UHFFFAOYSA-N 466.475 5.510 50 10 JKGE COc1cc(OC)c(-c2csc(C(C#N)=C(O)c3cccc(Br)c3)n2)cc1Cl 2331377571 MTRIMNYMBPBBQK-UHFFFAOYSA-N 477.767 6.193 50 10 JKGE COc1ccc(Cl)cc1-c1csc(C(C#N)=C(O)[C@H](C(C)C)N2C(=O)c3ccccc3C2=O)n1 2331410968 YDOAGURSTIOHOI-NRFANRHFSA-N 493.972 5.586 50 10 JKGE CCc1nn(C)c([C@H](Cl)c2ccc(OCc3ccccc3)cc2Br)c1Br 2336081252 QISMEWAOAIPSBE-LJQANCHMSA-N 498.646 6.415 50 10 JKGE COc1c(C)cc([C@H](Br)c2sc(Br)cc2Br)cc1Cl 2337665393 YFRNVZXJBVFCJY-NSHDSACASA-N 489.454 6.728 50 10 JKGE Cc1ccc([C@@H](Br)c2c(F)cc(Cl)c(Br)c2Cl)cc1Cl 2360421482 CQRMEWGZHRSFTL-GFCCVEGCSA-N 461.383 7.341 50 10 JKGE CC[C@H](CC(F)(F)F)[C@H](Br)c1c(F)cc(Cl)c(Br)c1Cl 2360432490 CSOMMZUADWEVRJ-ANLVUFKYSA-N 460.918 7.310 50 10 JKGE COc1c(F)c(F)cc([C@@H](Br)c2cc(Br)c(Br)s2)c1F 2361165158 HLQPBVOGLBOJBL-MRVPVSSYSA-N 494.952 6.183 50 10 JKGE COC[C@@]1([C@H](Br)c2c(Cl)cc(Br)c(F)c2Br)CCCO1 2362225547 QMRBMJDEZLMYFB-CHWSQXEVSA-N 495.408 5.636 50 10 JKGE C[C@@]12CC[C@@]([C@H](Br)c3c(Cl)cc(Br)c(F)c3Br)(CO1)C2 2362240527 PRNOYDJBTPFIFL-RDBSUJKOSA-N 491.420 6.399 50 10 JKGE Cc1cc(Br)c(F)c(Br)c1[C@H](Br)[C@H]1C[C@]1(C)C(F)(F)F 2365190173 CCAIUANQOJKKFQ-JSTDYGSISA-N 482.935 6.684 50 10 JKGE CCO[C@@H]1CC[C@@H]([C@H](Br)c2c(C)cc(Br)c(F)c2Br)C1 2365191098 LESVBOLQCKRNLK-BREBYQMCSA-N 473.018 6.300 50 10 JKGE Cc1cc(Br)c(F)c(Br)c1[C@@H](Br)[C@@H]1CCC[C@H]1C(F)F 2365197138 SVFUDHDMKHGHEI-XLDPMVHQSA-N 478.972 6.777 50 10 JKGE COCC1([C@H](Br)c2c(C)cc(Br)c(OC)c2Br)CCC1 2365215939 PAEIJDWHOVEARL-CQSZACIVSA-N 471.027 5.781 50 10 JKGE COc1c(Br)cc(C)c([C@H](Br)C23CC(C2)[C@@H](C)O3)c1Br 2365217832 HVIBROQOEMFURE-MXOUVYRLSA-N 469.011 5.532 50 10 JKGE Brc1cccc(Br)c1CO[C@H]1C[C@H](Br)C12CCCCC2 2366184325 HFSXFGHSYZYWGL-GJZGRUSLSA-N 467.039 6.215 50 10 JKGE COc1ccc(-c2cc(C(=O)NN=Cc3c[nH]c4ccccc34)c3ccccc3n2)c(OC)c1 1003481 CLDWIAZXNYTUPL-UHFFFAOYSA-N 450.498 5.164 50 10 JKGE C=CCOc1ccc(Br)cc1/C=N/NC(=O)c1ccc(OCc2ccccc2)cc1 20161139 JVIIOURDGGGZEH-WGOQTCKBSA-N 465.347 5.357 50 10 JKGE N#C/C(=C\C1=C(N2CCOCC2)/C(=C\c2ccc(Cl)cc2)CC1)C(=O)Nc1ccccc1F 32695927 WYIWEKXQKQANMX-VYBCSWDBSA-N 463.940 5.331 50 10 JKGE C/C(=N/NC(=O)c1ccc(OCc2ccccc2)cc1)c1ccc(N2C(=O)[C@H]3CCCC[C@@H]3C2=O)cc1 33618731 OUWSTWWWPIRXCK-AHTCCCRZSA-N 495.579 5.099 50 10 JKGE CCCCOc1ccc(/C=C(/C#N)C(=O)Nc2sc(-c3ccccc3)cc2C(=O)OCC)cc1 34901870 RSXZHADSJFPKIC-PGMHBOJBSA-N 474.582 6.316 50 10 JKGE N#C/C(=C\c1cn(-c2ccccc2)nc1C12CC3CC(CC(C3)C1)C2)S(=O)(=O)c1ccccc1 35447069 SXOBERNRSOZPRO-VULFUBBASA-N 469.610 5.678 50 10 JKGE COc1ccccc1OCC(=O)Oc1ccc2c(c1)OC(N)=C(C#N)[C@@H]2c1ccc(C(C)(C)C)cc1 38649721 NKQYYIWFWPYYHB-HHHXNRCGSA-N 484.552 5.195 50 10 JKGE N#CC1=C(N)Oc2cc(OC(=O)c3ccccc3Br)ccc2[C@H]1c1ccc(F)cc1 38652457 AUTIMLHEDQVYAL-OAQYLSRUSA-N 465.278 5.026 50 10 JKGE N#CC1=C(N)Oc2cc(OC(=O)Cc3ccc(Cl)cc3)ccc2[C@H]1c1c(Cl)cccc1Cl 38680058 DHUQQCDQTXQSNN-JOCHJYFZSA-N 485.754 6.013 50 10 JKGE CCCCOc1ccc(Nc2ncnc(NNC(=O)c3ccc(Cl)cc3Cl)c2N)cc1 40754858 DHADYWXYODFHDP-UHFFFAOYSA-N 461.353 5.045 50 10 JKGE CCc1ccc(OC(=O)c2oc3c(c2C)/C(=N/NC(=O)c2ccccc2Br)CCC3)cc1 40812952 HHPZNWCRUURYFT-NHFJDJAPSA-N 495.373 5.603 50 10 JKGE Cc1ccc(NC(=O)c2oc3c(c2C)/C(=N/NC(=O)c2ccc(-c4ccccc4)cc2)CCC3)cc1C 40822635 OBXXVINVLZXUEG-MHTZHOPKSA-N 491.591 6.595 50 10 JKGE CCOc1cc(/C=C(\C#N)C(=O)Nc2cccc([N+](=O)[O-])c2)ccc1OCc1ccc(Cl)cc1 59232923 NEYNEIOYQAGESH-XDHOZWIPSA-N 477.904 5.772 50 10 JKGE O=C(N/N=C\c1ccc(Oc2ccc(C(F)(F)F)cc2[N+](=O)[O-])cc1)c1ccc(Cl)cc1 59462942 MJBAXCWHFASLRZ-ZRGSRPPYSA-N 463.799 5.823 50 10 JKGE C/C(=N/NC(=O)c1cccc(N/N=C(/C)c2cc3ccccc3o2)c1)c1cc2ccccc2o1 89263216 DAFUAZCCEMLBNM-SZVCAHDZSA-N 450.498 6.169 50 10 JKGE CC(C)Oc1ccccc1C(=O)N/N=C/c1ccccc1OCc1cccc(Br)c1 96095861 XHSGDQJUWIZXMN-CVKSISIWSA-N 467.363 5.579 50 10 JKGE N#C/C(=C(/O)c1ccc(-c2ccccc2Cl)o1)c1nc(-c2ccc3ccccc3c2)cs1 100989821 IIGBKMXCTLAQIT-QQTULTPQSA-N 454.938 7.827 50 10 JKGE Cc1ccc(NC(=O)/C(C#N)=C2/S[C@@H](Cc3ccc(F)cc3)C(=O)N2c2ccccc2)cc1Cl 102666053 NWINUPDOWQAFKP-CTHAODRQSA-N 491.975 5.853 50 10 JKGE COc1ccc([C@@H](Br)c2ccc(Br)c(F)c2)c(Br)c1 104036904 BGLXSCSHVZPPLC-AWEZNQCLSA-N 452.943 5.844 50 10 JKGE COc1ccc(Br)cc1[C@H](Br)c1cc(Br)ccc1Cl 109834485 DMFPTRNNYPVTNL-CQSZACIVSA-N 469.398 6.358 50 10 JKGE Fc1ccc(Br)c(C[C@H](CBr)c2cccc(Br)c2)c1 118661256 GOMNSDQRVLIJJU-GFCCVEGCSA-N 450.971 6.072 50 10 JKGE Fc1ccc([C@@H](Br)c2ccc(I)cc2)cc1Br 123775792 LRACNRRXMDVPAW-ZDUSSCGKSA-N 469.917 5.677 50 10 JKGE Cc1cc(Br)c([C@@H](Cl)c2ccc(Br)cc2C)cc1Br 128649419 FPHACJNLVWUTFX-HNNXBMFYSA-N 467.426 6.919 50 10 JKGE CSc1ccc([C@H](Br)c2cc(Br)c(C)cc2Br)cc1 128843783 WLXMXZZMJRDKEV-HNNXBMFYSA-N 465.048 6.726 50 10 JKGE CCCCCOc1ccc(/C=C2\C(=O)N(Cc3ccc(F)cc3)C(=O)C(C#N)=C2C)cc1OC 214410405 IGKBMKKSBHUHGH-HMAPJEAMSA-N 462.521 5.196 50 10 JKGE N#C/C(=C/Nc1cccc(Cl)c1)C(=O)N1CCN(C(c2ccccc2)c2ccccc2)CC1 216494076 GJFRLVRNMQTEFB-ATJXCDBQSA-N 456.977 5.093 50 10 JKGE CCCOc1ccc([C@H](Br)c2cc(Br)ccc2C)cc1Br 229005147 OROGNKHULOKDLK-KRWDZBQOSA-N 477.034 6.793 50 10 JKGE CC1CCC(CBr)(NC(=O)c2ccc(I)c(Cl)c2)CC1 232349305 JPIYSSKBYYGZST-UHFFFAOYSA-N 470.576 5.018 50 10 JKGE CCC(CC)N(CCBr)C(=O)c1ccc(Br)cc1Br 232896348 DZMSOXKBXLWYNV-UHFFFAOYSA-N 456.016 5.237 50 10 JKGE CCOc1ccc([C@H](Cl)c2cc(Cl)ccc2I)c(Br)c1 233802251 SFUYWOBZRPJLTC-HNNXBMFYSA-N 485.974 6.434 50 10 JKGE COc1cc(F)c(Br)cc1[C@@H](Cl)c1ccc(I)c(Cl)c1 234879815 BAQVIRKTOWFAPD-AWEZNQCLSA-N 489.937 6.183 50 10 JKGE CCOc1ccc(C=NNC(=O)c2ccc(-n3c(C)ccc3-c3ccccc3)cc2)c2ccccc12 252632251 VRPNZYLUWYBKFP-UHFFFAOYSA-N 473.576 6.769 50 10 JKGE CC(C)CCOc1ccc(C=NNC(=O)c2ccc(COc3ccccc3-c3ccccc3)cc2)cc1 254342347 VZYAQDOLRPLKOF-UHFFFAOYSA-N 492.619 7.121 50 10 JKGE Cc1cccc([C@H](Br)Cc2ccc(Br)cc2)c1I 300472270 NOTGPDKQELWNGW-CQSZACIVSA-N 479.981 6.041 50 10 JKGE Cl[C@H](c1cc(Br)c(Br)s1)c1sccc1I 307285325 ODGPPSQRGWNOJN-SSDOTTSWSA-N 498.430 6.267 50 10 JKGE Fc1cc([C@@H](Br)c2cccc(OCc3ccccc3)c2)c(F)cc1Br 311198646 HEZZYKIHVHCVLN-FQEVSTJZSA-N 468.135 6.791 50 10 JKGE Clc1ccccc1C(CBr)(CBr)Cc1ccsc1Br 388750372 OHTAKYDHSSLZTM-UHFFFAOYSA-N 487.482 6.434 50 10 JKGE Cc1cc(Br)cc([C@@H](Br)c2c(Br)cc(F)c(F)c2F)c1 398741785 QYOITKXJDNRZCG-GFCCVEGCSA-N 472.924 6.422 50 10 JKGE FC1(F)CCC[C@@H]1CC(CBr)(CBr)c1cccc(Br)c1 400655230 XGFHECJCVFXQGH-GFCCVEGCSA-N 475.009 6.302 50 10 JKGE Clc1cc(Br)cc(Oc2ccc(CBr)cc2Br)c1 697949820 ALYAIFQNXXIOTE-UHFFFAOYSA-N 455.371 6.552 50 10 JKGE Cc1ccc([C@H](Br)c2sccc2I)c(C)c1Br 719567330 PLHHJUGKWLXMTM-LBPRGKRZSA-N 486.010 6.216 50 10 JKGE COc1cc(/C=C(\C#N)C(=O)Nc2ccc(C)cc2)cc(Br)c1OCc1ccc(F)cc1 1083900029 BWFDRAMRRCRSIW-YBFXNURJSA-N 495.348 6.030 50 10 JKGE Cc1ccc(-c2nn(-c3ccccc3)cc2C=NNC(=O)[C@@H](C)Oc2cccc(Cl)c2)cc1 1084351666 GAVMLXNNUOESGG-LJQANCHMSA-N 458.949 5.419 50 10 JKGE CCOc1cc(C=NNC(=O)C(=O)Nc2c(C)cccc2C)ccc1OCc1ccc(Cl)cc1 1084558020 COJXCWDJNVKOOQ-UHFFFAOYSA-N 479.964 5.023 50 10 JKGE CCOc1ccc2ccccc2c1/C=C(/C#N)C(=O)Nc1c(C)nn(Cc2ccccc2)c1C 1084592675 OLKGYGDOYIXFPF-KQWNVCNZSA-N 450.542 5.646 50 10 JKGE COc1ccc(/C(C#N)=C/c2ccc(OC(=O)C(Cl)(Cl)Cl)c(OC)c2)cc1OC 1615066147 VRTYXERYFSSSBK-RIYZIHGNSA-N 456.709 5.052 50 10 JKGE CC1=C(C#N)C(=O)N([C@H](C)c2ccccc2)C(=O)/C1=C\Nc1ccc(N=Nc2ccccc2)cc1 1772742782 WLTUGLLINNVMEC-OJIYPPGYSA-N 461.525 6.368 50 10 JKGE Cc1c(C(=O)Nc2cc(Cl)cc(Cl)c2)oc2c1C(=NNC(=O)c1ccc(Cl)cc1)CCC2 1772744312 VOKGMZUIKWYCOI-UHFFFAOYSA-N 490.774 6.271 50 10 JKGE COC(=O)c1nc(NC(=O)CCCC[C@H]2CCSS2)sc1-c1ccc(Cl)cc1 1860191916 XMIDGJHSGDKDKB-AWEZNQCLSA-N 457.042 5.903 50 10 JKGE CCOc1ccc(-c2nc3ccc(C(=O)Nc4ccc(SC#N)cc4)cc3[nH]2)cc1OCC 1861860646 NKBGBKWVJUHXEA-UHFFFAOYSA-N 458.543 5.853 50 10 JKGE Cc1nn(Cc2c(F)cccc2Cl)c2c1[C@@H](c1ccc(Cl)c(Cl)c1)C(C#N)=C(N)O2 1865686307 ULVPPROGPJWIRZ-IBGZPJMESA-N 463.727 5.557 50 10 JKGE CCCc1nn(-c2cccc3ccccc23)c2c1[C@H](c1cccc(OCC)c1)C(C#N)=C(N)O2 1865690186 KYIUQERYZYZYPQ-RUZDIDTESA-N 450.542 5.595 50 10 JKGE CCCCCOc1ccc([C@@H]2C(C#N)=C(N)Oc3c2c(C)nn3-c2cccc(Cl)c2)cc1OCC 1865691002 GYRGIIMVAHOPQM-RUZDIDTESA-N 493.007 6.020 50 10 JKGE CCN(Cc1ccccc1)c1ccc([C@@H]2C(C#N)=C(N)Oc3c2c(-c2ccccc2)nn3CC)cc1 1865707160 PKCQUIILZUACFW-AREMUKBSSA-N 475.596 5.815 50 10 JKGE CCCc1nn(Cc2ccc(Cl)c(Cl)c2)c2c1[C@H](c1ccc(OC)cc1OC)C(C#N)=C(N)O2 1865708368 VIUHKNWCJWSWIY-JOCHJYFZSA-N 499.398 5.426 50 10 JKGE CCCc1nn(-c2ccc(Cl)cc2)c2c1[C@H](c1cccc(OCc3ccccc3)c1)C(C#N)=C(N)O2 1865712348 WFFZRTRDPWQOQZ-AREMUKBSSA-N 496.998 6.275 50 10 JKGE CCc1ccc(-c2ccc(C(=O)NNC(=O)[C@H](C)Oc3ccc(Cl)cc3Cl)c(C)n2)cc1 1865758804 SAPMQYBFOZQIGM-HNNXBMFYSA-N 472.372 5.155 50 10 JKGE CC(C)[C@H](C(=O)NC(C)(C)C(=O)Nc1ccc(SC#N)cc1)c1ccc(Br)cc1 1866977145 LUFIEQIBQFWIKF-IBGZPJMESA-N 474.424 5.295 50 10 JKGE O=c1c(-c2ccc(Cl)c(Cl)c2)c(C2CC2)oc2cc(OCc3ccc(CCl)cc3)ccc12 1871436821 RJVFALYVIMFUCT-UHFFFAOYSA-N 485.794 7.962 50 10 JKGE COc1cc2nc(/C(C#N)=C/c3cccc(OCc4ccc(Cl)cc4)c3)nc(O)c2cc1OC 1872727676 RXUVBLSDBZEITH-VCHYOVAHSA-N 473.916 5.649 50 10 JKGE CCCCc1ccc(N2C[C@H](/C(O)=C(\C#N)c3nc(-c4ccccc4OC)cs3)CC2=O)cc1 1872747205 RVVFQDZNUKSZLI-JEOADQEBSA-N 473.598 6.007 50 10 JKGE COc1ccc(C(C)(C)C)cc1-c1csc(/C(C#N)=C(O)/C=C/c2ccc(C(C)(C)C)cc2)n1 1872751422 HESODLKGWNDCLL-KOGOKJSQSA-N 472.654 7.920 50 10 JKGE N#C/C(=C(/O)[C@@H](Cc1ccccc1)N1C(=O)c2ccccc2C1=O)c1nc(-c2ccc(F)cc2)cs1 1872752956 AZWJJZUIGNIIKK-FOSWXRMZSA-N 495.535 5.649 50 10 JKGE Cc1cc(C)c(-c2csc(/C(C#N)=C(\O)[C@H]3CC(=O)N([C@H](C)c4ccccc4)C3)n2)c(C)c1 1872756825 CIVQHXGATFAPFS-NSCXYPJYSA-N 457.599 6.138 50 10 JKGE COc1cc(C)c(-c2csc(/C(C#N)=C(\O)C(c3ccccc3)c3ccccc3)n2)cc1C 1872758294 UFCLFPRJDQIMES-VYIQYICTSA-N 452.579 7.060 50 10 JKGE CCOc1ccc(OCC)c(-c2csc(/C(C#N)=C/c3ccc(OCC)c(OCC)c3)n2)c1 1872792467 APEPXBXOBMZBLF-CPNJWEJPSA-N 464.587 6.469 50 10 JKGE N#C/C(=C\c1ccc(OC(=O)c2ccccc2)cc1)c1nc(-c2cc(Cl)ccc2Cl)cs1 1872795258 VYKCDABXJFBABO-LDADJPATSA-N 477.372 7.400 50 10 JKGE CC[C@H](C)[C@H](NC(=O)OC(C)(C)C)C(=O)N/N=C/c1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1 1873794648 SNAFLSAAXOOZKA-NORLRKDPSA-N 461.647 5.377 50 10 JKGE CC(C)C1(COc2c(Br)cc(Br)cc2CBr)CCC1 1876734657 OIODWWWGLUYMNU-UHFFFAOYSA-N 455.028 6.312 50 10 JKGE Cn1cnc(Br)c1[C@H](Br)c1sc(Br)cc1Br 1900440247 IGEQPQDPOHWTIM-LURJTMIESA-N 493.844 5.253 50 10 JKGE CN(C[C@@H](Br)COCc1ccccc1)C(=O)c1ccc(Br)cc1Cl 1916384005 UZLGULCYXXFVND-OAHLLOKOSA-N 475.608 5.155 50 10 JKGE COc1ccc(C)cc1[C@H](Br)c1sc(Br)cc1Br 1922946810 VQUHSNRGEPWXIO-LBPRGKRZSA-N 455.009 6.074 50 10 JKGE Fc1cccc([C@@H](Cl)c2c(Br)sc(Br)c2Cl)c1Cl 1923039229 NDBPTABBBWLCSG-MRVPVSSYSA-N 453.385 7.047 50 10 JKGE Cl[C@H](c1c(Br)sc(Br)c1Br)C1CCCCCC1 1924584438 XWVJJUILPZXPJE-JTQLQIEISA-N 465.476 7.286 50 10 JKGE Brc1sc(Br)c([C@H](Br)[C@@H]2C[C@@H]2C2CC2)c1Br 1924612693 NNKMWQORACIQDT-ATRFCDNQSA-N 493.884 6.518 50 10 JKGE Clc1cc(Br)c([C@@H](Cl)c2csc(I)c2)s1 1933587270 JLKBURUCNUJNRN-QMMMGPOBSA-N 453.979 6.158 50 10 JKGE Cc1sc(Br)cc1[C@H](Cl)c1c(Br)cccc1Br 1945322152 KLMDNYIVTQPPLS-LBPRGKRZSA-N 459.428 6.672 50 10 JKGE Fc1ccc([C@H](Br)c2cscc2OCc2ccccc2)c(F)c1Br 1950320435 HRVCNAASSWFRRP-INIZCTEOSA-N 474.164 6.852 50 10 JKGE CC(C)(C)CN(Cc1ccccc1)S(=O)(=O)c1cc(CBr)sc1Br 2009621394 FLROVEKLHYOITA-UHFFFAOYSA-N 495.302 5.643 50 10 JKGE CC(C)(C)OC(=O)NCCSSCCNCc1cccc(Cl)c1Br 2010825845 RLHOWZGJBVHZQW-UHFFFAOYSA-N 455.871 5.098 50 10 JKGE Cc1cnc(COc2c(Br)cc(Br)cc2CBr)s1 2027254196 NJSRUUDTZUQPIY-UHFFFAOYSA-N 455.997 5.450 50 10 JKGE CCc1cc(Br)c([C@@H](Cl)c2cc(Cl)ccc2I)s1 2029240433 WUHWZTSZIBBYJQ-LBPRGKRZSA-N 476.004 6.659 50 10 JKGE COc1sc([C@@H](Br)Cc2ccccc2Br)cc1Br 2034631655 HBCAKKASBBJLCR-JTQLQIEISA-N 455.009 5.960 50 10 JKGE Clc1c(Br)ccc(CBr)c1N(Cc1ccccc1)CC1CCCCC1 2036841471 CCYMYJKYOYLXLY-UHFFFAOYSA-N 485.691 7.584 50 10 JKGE N#CC(=Cc1cn(-c2ccccc2)nc1-c1ccccc1)c1nnc(N2CCOCC2)n1-c1ccccc1 2040448355 MZBOCRJOSVCZJW-UHFFFAOYSA-N 499.578 5.021 50 10 JKGE CCO[C@@H]1CC[C@H]([C@H](Br)c2c(Br)sc(Br)c2Cl)C1 2054494608 DICQWUSTVMVIPD-OOZYFLPDSA-N 481.475 6.568 50 10 JKGE FC1(F)[C@@H]([C@@H](Br)c2cc(Br)ccc2Br)C12CCCC2 2097390325 LGSDRWRKOBSSMJ-RYUDHWBXSA-N 458.966 6.473 50 10 JKGE CC(C)(C)C[C@@H](CBr)CNC(=O)c1scc(Br)c1Br 2100100837 AXKQPBJBBCQHOG-QMMMGPOBSA-N 476.072 5.450 50 10 JKGE FC1(F)CCCCC[C@H]1[C@@H](Cl)c1c(Br)sc(Br)c1Cl 2108661037 DLUKQVBLZJHUEI-POYBYMJQSA-N 457.005 7.422 50 10 JKGE C[C@@H]1CO[C@H](CC(CBr)(CBr)c2ccccc2Br)C1 2110069498 YKFKQIREHZIUBH-RYUDHWBXSA-N 455.028 5.292 50 10 JKGE Cc1cc(Br)c([C@H](Br)C2[C@@H]3CCCCC[C@@H]23)cc1Br 2110919326 LSHGSKDQYCWCFD-UVWXRNBGSA-N 451.040 6.782 50 10 JKGE CCc1nc(COc2c(Br)cc(CBr)cc2Br)cs1 2113507221 RYGQRQKRDCPKSC-UHFFFAOYSA-N 470.024 5.704 50 10 JKGE Brc1ccc(Br)c(C[C@H]2CCCCCCC[C@H]2Br)c1 2118523891 CRGFBZMAZXGBSJ-IUODEOHRSA-N 453.056 6.878 50 10 JKGE Cc1cc(Br)c(C)c([C@H](Br)[C@@]2(C)COCCO2)c1Br 2136382098 OILVFYBPHAKXTK-UONOGXRCSA-N 457.000 5.070 50 10 JKGE Cc1cc(Cl)c([C@@H](Br)c2cccc(C)c2I)cc1Cl 2136693014 NBTRRXIQIMUZLR-AWEZNQCLSA-N 469.975 6.699 50 10 JKGE Cc1c(Br)ccc([C@@H](Br)[C@H]2CC3CCC2CC3)c1Br 2138875629 HQRWKQCWAYUZAX-SXNKHWKNSA-N 451.040 6.782 50 10 JKGE CC(C)(C[C@H](Br)c1cc(I)cc2c1OCC2)C(F)(F)F 2150419401 KGGJFWSWBXZNIT-NSHDSACASA-N 463.075 5.641 50 10 JKGE CC1(C)CCN(C(=O)c2c(Br)cccc2Br)C[C@@H]1CBr 2150503518 MXHWJWOYAKJWAF-JTQLQIEISA-N 468.027 5.095 50 10 JKGE Cc1cc(Br)c([C@@H](Cl)c2cc(C3CC3)c(Br)s2)cc1Cl 2151030928 AHFASHMROGLDGM-CQSZACIVSA-N 455.042 7.441 50 10 JKGE BrCc1cc(Br)ccc1N1CCC[C@]2(CN(Cc3ccccc3)CCO2)C1 2151736553 ARLRCOKHRIDOCE-QFIPXVFZSA-N 494.271 5.215 50 10 JKGE Fc1cc(Br)cc(N2CC[C@H]3[C@H](CCCN3Cc3ccccc3)C2)c1CCl 2170691134 HVPXJISXCYBCBJ-UTKZUKDTSA-N 451.811 5.818 50 10 JKGE Cc1cc(CBr)ccc1S(=O)(=O)N(Cc1ccccc1)[C@@H](C)c1cccs1 2179776317 SYJGPCOTLMGSPE-KRWDZBQOSA-N 464.450 5.904 50 10 JKGE CC(F)(F)c1ccc([C@@H](Br)c2cc(Br)ccc2Br)cc1 2184810192 FISDCJHRARKISA-CQSZACIVSA-N 468.961 6.808 50 10 JKGE Fc1cc(Br)c([C@@H](Cl)c2ccc(Cl)cc2Br)c(F)c1Cl 2201610248 FUEKERDTKWSYIE-NSHDSACASA-N 465.346 7.125 50 10 JKGE CO[C@@H]1CC[C@@H]1[C@H](Cl)c1c(Br)sc(Br)c1Br 2211340294 QKQXTWIPRHBQOI-UUEMRFSQSA-N 453.421 5.741 50 10 JKGE C[C@H](Cl)c1nc2c(F)cc(Br)cc2n1[C@H]1C[C@H](C)N(Cc2ccccc2)C1 2232921246 WLFVEGPTGDTZRB-ZQIUZPCESA-N 450.783 6.073 50 10 JKGE FC1(F)[C@H]2CCC[C@H]1CC([C@@H](Br)c1sc(Br)cc1Br)C2 2233642553 NVTRHOXRGUZPPE-HOTUBEGUSA-N 493.049 7.171 50 10 JKGE Fc1cc(Br)c(Br)cc1[C@H](Br)c1ccc2nsnc2c1 2233981303 GWJNJDVOTANSMG-CYBMUJFWSA-N 480.982 5.840 50 10 JKGE Cc1cc(Br)c([C@H](Cl)c2sc(C)c(Br)c2C)c(C)c1Cl 2234471197 PIPXZHVFHMWYRI-AWEZNQCLSA-N 457.058 7.488 50 10 JKGE Cc1sc([C@@H](Br)c2cc(Br)cc3c2OCCC3)cc1Br 2234474604 MKAWJKRTEBHHTQ-AWEZNQCLSA-N 481.047 6.391 50 10 JKGE Cc1sc([C@@H](Cl)c2ccc(F)cc2I)c(Br)c1C 2253511382 DSZURNSEBIBVOU-LBPRGKRZSA-N 459.549 6.199 50 10 JKGE FC1(F)C[C@H]([C@H](Br)c2cc(Br)c(Br)s2)C12CCC2 2254863962 QPOAHYZYTGYQKA-MUWHJKNJSA-N 464.995 6.535 50 10 JKGE COc1ccc([C@@H](Br)c2csc(Br)c2)c(Br)c1Cl 2256325270 LRYDEVBKDSIKHM-JTQLQIEISA-N 475.427 6.419 50 10 JKGE Cc1cc(C)c([C@H](Br)Cc2cc(Br)cc(Br)c2)s1 2263450487 MMSMQYPOGXVPLU-CYBMUJFWSA-N 453.037 6.569 50 10 JKGE COC1([C@H](Br)c2cc(Br)c(C)cc2Br)CC(CF)C1 2266429784 ULEAAHBIKMJBJD-JRZRUSQNSA-N 458.991 5.721 50 10 JKGE Cc1cc(Br)c([C@@H](Br)c2nn(C)c(Cl)c2Br)c(C)c1F 2279160530 SAVQAOUSBNJYTA-SECBINFHSA-N 489.408 5.839 50 10 JKGE COc1ccc([C@@H](Cl)c2cccc(Br)c2Cl)c(Br)c1Cl 2283555947 VLCZFBSVYNMVOJ-GFCCVEGCSA-N 459.392 6.855 50 10 JKGE COc1ccc([C@@H](Cl)c2cc(C)ccc2I)c(Br)c1Cl 2283564249 WSHSOOFEWNWUDU-CQSZACIVSA-N 485.974 6.352 50 10 JKGE COc1c([C@H](Br)c2csc3c(Br)cccc23)csc1Cl 2284303128 GCXPXCWRCLEVSH-LLVKDONJSA-N 452.620 6.872 50 10 JKGE Cc1cc(F)c([C@@H](Br)Cc2cc(Br)cc(Br)c2)cc1Cl 2295274646 MSOBVNXSKJBAJD-ZDUSSCGKSA-N 485.416 6.991 50 10 JKGE FC(F)(F)c1cscc1[C@H](Br)Cc1cc(Br)cc(Br)c1 2295329540 JQQVOXWBXGHCJA-GFCCVEGCSA-N 492.980 6.971 50 10 JKGE Fc1cccc(CC[C@H](Br)Cc2cc(Br)cc(Br)c2)c1 2295332665 ZXFWDKSQTHNDNE-ZDUSSCGKSA-N 464.998 6.290 50 10 JKGE Cc1cc(F)c(Br)cc1[C@H](Cl)Cc1cc(Br)cc(Br)c1 2295336210 SSPFKQSJOAIZMW-CQSZACIVSA-N 485.416 6.944 50 10 JKGE N#CC(=Cc1cccc(OCc2ccccc2Cl)c1)C(=O)Nc1cc(Cl)cc(Cl)c1 2295459660 KXRQYIYLDGQGFV-UHFFFAOYSA-N 457.744 6.771 50 10 JKGE CCOc1cc(C=C(C#N)C(=O)Nc2ccccc2C(=O)OC)ccc1OCc1ccc(F)cc1 2295459703 PBEUKCHGKDPLTC-UHFFFAOYSA-N 474.488 5.136 50 10 JKGE CC(C)[C@H](Cl)C(=O)N1CCC(c2nc(N(C)C)ncc2-c2ccc(C(F)(F)F)cc2)CC1 2296578150 LWHHCMMOGSYQDB-IBGZPJMESA-N 468.951 5.198 50 10 JKGE N#CC(=CNc1ccc(Br)cc1F)c1nc(-c2ccc(Br)cc2)cs1 2296800675 NCCXGZHDSJNRRT-UHFFFAOYSA-N 479.172 6.451 50 10 JKGE N#CC(=Cc1cc([N+](=O)[O-])ccc1OCC(=O)Nc1ccccc1)c1nc(-c2cccs2)cs1 2297579110 DLGMQQUNFUVHSH-UHFFFAOYSA-N 488.550 5.861 50 10 JKGE COc1c(Br)cc(C)c([C@@H](Br)C2(Br)CC2)c1Br 2301502269 LSTRCVODWRMNLN-LLVKDONJSA-N 491.843 5.892 50 10 JKGE Cc1cc(Br)c([C@@H](Br)[C@@H]2C[C@H]2C(F)(F)F)cc1Br 2308495487 DVRQAVNLMLZGTA-HLEGCSNESA-N 450.918 6.154 50 10 JKGE N#CC(=Cc1ccccc1OCc1ccc(Cl)cc1)C(=O)Nc1ccc(Cl)c(Cl)c1 2313631967 ZZVAJWJVLRIUCQ-UHFFFAOYSA-N 457.744 6.771 50 10 JKGE CCc1ccc(N2C(=O)[C@H](Cc3ccc(C)cc3)SC2=C(C#N)C(=O)N[C@@H](C)c2ccccc2)cc1 2314593892 VOJUBHIPEBONLQ-IDISGSTGSA-N 495.648 5.861 50 10 JKGE CCCCOc1cccc(-c2nn(-c3ccccc3)cc2C=C2C(=O)N(CCC)C(=O)C(C#N)=C2C)c1 2314610336 GFNIHYFDUZRMML-UHFFFAOYSA-N 494.595 5.720 50 10 JKGE ClCc1ccc(Oc2cc(Br)cc(Br)c2)c(Br)c1 2316759422 YCZQJHJOPYZWPE-UHFFFAOYSA-N 455.371 6.505 50 10 JKGE Clc1cccc(C[C@@H](Br)c2ccc(Cl)cc2I)c1 2317768521 KFWZUXABRNWTQE-CYBMUJFWSA-N 455.948 6.277 50 10 JKGE CCOc1ccc(C)cc1[C@H](C)NC(=O)C(C#N)=CNc1ccccc1Sc1ccccc1 2325072346 NYGURJCSROFILS-FQEVSTJZSA-N 457.599 6.242 50 10 JKGE COc1cc(C=C(C#N)c2nc3ccccc3s2)ccc1OC(=O)c1cccc([N+](=O)[O-])c1 2331025496 ABLVZGXHEWIEFS-UHFFFAOYSA-N 457.467 5.496 50 10 JKGE COc1cc(C=CC(O)=C(C#N)c2nc(-c3ccc(Cl)cc3)cs2)ccc1OC(C)=O 2331299291 QWZUYWUADQBQIM-UHFFFAOYSA-N 452.919 5.903 50 10 JKGE C[C@H](Oc1ccc(Cl)cc1Cl)C(O)=C(C#N)c1nc(-c2ccc(Cl)cc2)cs1 2331300528 NTBNZLOABHBGKA-NSHDSACASA-N 451.762 7.030 50 10 JKGE CCc1cccc(C)c1N1C[C@@H](C(O)=C(C#N)c2nc(-c3cc(OC)ccc3OC)cs2)CC1=O 2331325967 KPOOBQBAEBFTJJ-SFHVURJKSA-N 489.597 5.544 50 10 JKGE CCOc1ccc(CCC(O)=C(C#N)c2nc(-c3ccc(C(C)(C)C)cc3)cs2)cc1OC 2331332810 PKHKBOFGJPBHJT-UHFFFAOYSA-N 462.615 6.940 50 10 JKGE CCOc1ccc(OCC)c(-c2csc(C(C#N)=C(O)c3ccc(-c4ccccc4)cc3)n2)c1 2331376202 NQBZEYDZIUHJSE-UHFFFAOYSA-N 468.578 7.224 50 10 JKGE COc1ccc(C=CC(O)=C(C#N)c2nc(-c3cc(Cl)ccc3OC)cs2)cc1OC 2331410870 MLVYJAYYFGBESP-UHFFFAOYSA-N 454.935 5.995 50 10 JKGE Cn1nc([C@@H](Cl)c2c(Cl)cc(Br)c(F)c2Br)cc1Cl 2337086380 LDFUOIJOBSYRAR-SNVBAGLBSA-N 451.348 5.719 50 10 JKGE CCC[C@@H]1CN(Cc2ccc(Cl)c(I)c2)C[C@H]1CBr 2337220468 CZUKRDXARZJCBO-CHWSQXEVSA-N 456.593 5.188 50 10 JKGE C[C@@](CI)(OCC(F)(F)C(F)F)c1ccccc1Br 2337779223 IQKPSUDCBASYBC-NSHDSACASA-N 455.027 5.016 50 10 JKGE COc1ccc([C@H](Br)c2ccc(Cl)cc2I)c(Cl)c1 2340064334 PGGGXIIYOASYHN-AWEZNQCLSA-N 471.947 6.091 50 10 JKGE FC1(F)[C@@H]2CC(CBr)(Cc3cc(I)ccc3Cl)C[C@H]21 2352424015 NOFSGOHSJRXEDR-GHMZBOCLSA-N 461.515 5.544 50 10 JKGE Clc1ccc(I)cc1CC[C@H](Cl)c1ccccc1Br 2352431732 KTXXBXLPYRGOBI-HNNXBMFYSA-N 469.975 6.620 50 10 JKGE COc1cc(CC(CBr)(CBr)C2CCCC2)c(Br)cn1 2362094130 LKGQECJCWNIXBP-UHFFFAOYSA-N 470.043 5.362 50 10 JKGE Fc1c(Br)cc(Cl)c([C@@H](Cl)[C@@H]2CCC[C@H]2C(F)F)c1Br 2362226749 ZCCJBOZRJWXFKI-VCGAMNKESA-N 454.939 6.965 50 10 JKGE Fc1c(Br)cc(Cl)c([C@@H](Br)C2CC3(CC(F)C3)C2)c1Br 2362233773 CVAMCXYSVWEWLY-URPYPMCZSA-N 493.411 6.968 50 10 JKGE Fc1c(Br)cc(Cl)c([C@@H](Br)[C@@H]2CC23CCOCC3)c1Br 2362238435 VRXLXZRNYKJUJV-CPCISQLKSA-N 491.420 6.257 50 10 JKGE C[C@@H]1CCC[C@H](CO[C@](C)(CI)c2ccccc2Br)O1 2364036963 LMLDHRPAPVVOSG-XJKCOSOUSA-N 453.158 5.074 50 10 JKGE CC(C)[C@@H](Br)C(C)(C)CN(C)Cc1cc(Cl)ccc1I 2365898164 IHXSDRZBFLNNAI-OAHLLOKOSA-N 472.636 5.822 50 10 JKGE N#CC1=C(N)Oc2[nH]nc(-c3ccc(-c4ccccc4)cc3)c2[C@@H]1c1cccc(C(F)(F)F)c1 622765 BGLNYKNXTBARPX-OAQYLSRUSA-N 458.443 5.981 50 10 JKGE N#C/C(=C/c1cn(Cc2ccccc2)c2ccccc12)C(=O)Nc1sc2c(c1C(N)=O)CCCC2 940882 PNQPXXOUCCLZIU-RGEXLXHISA-N 480.593 5.274 50 10 JKGE O=C(NNC(=O)c1cccc(Cl)c1Cl)c1ccc(CSc2ccc(C(F)(F)F)cn2)o1 1038748 FBOMOKAAUUTNOZ-UHFFFAOYSA-N 490.290 5.367 50 10 JKGE CC[C@@H](C)c1ccc(OCC(=O)NNC(=O)c2ccc(Cl)cc2Cl)c(Br)c1 14832218 ITYCCUKCBNECAH-LLVKDONJSA-N 474.182 5.109 50 10 JKGE COc1ccccc1/C(C#N)=C\c1cccc(OC(=O)c2cc(C(F)(F)F)cc(C(F)(F)F)c2)c1 31902725 HBLZGYDLXJKONC-MFOYZWKCSA-N 491.387 7.016 50 10 JKGE COc1cc(/C=N/NC(=O)c2ccc(Cn3nc(C)c(Cl)c3C)o2)ccc1OCc1ccccc1 33335456 MQSYIBADYSXGKP-CCVNUDIWSA-N 492.963 5.146 50 10 JKGE CCOc1cc(/C=N\NC(=O)c2ccccc2O)ccc1OCc1ccc(Cl)cc1Cl 35144419 CCVNPLGMRFJFLW-ZMFRSBBQSA-N 459.329 5.441 50 10 JKGE N#CC1=C(N)Oc2cc(OC(=O)COc3ccc(Cl)cc3)ccc2[C@H]1c1ccc(Cl)cc1 38651301 ZBGFWVKCJIXSSB-HSZRJFAPSA-N 467.308 5.196 50 10 JKGE CC(C)(C)c1ccc(OCC(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@@H]3c2ccc(Cl)cc2)cc1 38651387 QDHPNPCXWWZBKZ-AREMUKBSSA-N 488.971 5.840 50 10 JKGE CC(C)c1ccc(OCC(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@@H]3c2c(F)cccc2Cl)cc1 38680612 UEGMGMMBJWKIHJ-RUZDIDTESA-N 492.934 5.805 50 10 JKGE Cc1cc(C)c2c(C)c(C(=O)Oc3ccc4c(c3)OC(N)=C(C#N)[C@@H]4c3ccc(C(C)C)cc3)oc2c1 38687096 YJHBTKPJEKONKD-MUUNZHRXSA-N 492.575 6.919 50 10 JKGE CCc1ccc2oc(C(=O)Oc3ccc4c(c3)OC(N)=C(C#N)[C@@H]4c3ccc(SC)cc3)c(C)c2c1 38700714 IXPSHHMKTMNDDY-AREMUKBSSA-N 496.588 6.463 50 10 JKGE Cc1c(C(=O)Nc2ccccc2Br)oc2c1/C(=N/NC(=O)c1ccccc1)CCC2 40804222 QEPRBFAHTOGVRS-NLRVBDNBSA-N 466.335 5.073 50 10 JKGE COc1cccc(C(=O)N/N=C2\CCCc3oc(C(=O)Nc4cc(Cl)cc(Cl)c4)c(C)c32)c1 40822225 UKLVAISKSWZPRF-TURZUDJPSA-N 486.355 5.626 50 10 JKGE CCCOc1ccc(/C=N/NC(=O)COc2ccc(C(C)(C)c3ccccc3)cc2)cc1OC 40866560 FJEHPWWVGFPTPQ-VUTHCHCSSA-N 460.574 5.339 50 10 JKGE COc1cc(/C=N/NC(=O)COc2ccccc2-c2ccccc2)ccc1OCCc1ccccc1 40911703 MRTGNZLDFDADAE-NJZRLIGZSA-N 480.564 5.513 50 10 JKGE CCCCNC(=O)/C(C#N)=C/c1ccc(OC(=O)COc2ccc(-c3ccccc3)cc2)cc1 40988033 DJOMNIZMHJFXOZ-HKOYGPOVSA-N 454.526 5.161 50 10 JKGE COc1cc(/C=C(/C#N)C(=O)Nc2cccc(Cl)c2Cl)cc(Br)c1OC(C)=O 59117328 DUCMKBALTAEJCJ-SDQBBNPISA-N 484.133 5.235 50 10 JKGE Cc1cc(/C=N/NC(=O)Nc2cccc(Br)c2)c(C)n1-c1ccc(C(=O)O)c(Cl)c1 59249519 JZPQAPZDOXFWGN-BHGWPJFGSA-N 489.757 5.364 50 10 JKGE Cc1ccc(COc2ccc(Cl)cc2/C=C(/C#N)C(=O)Nc2cccc(Cl)c2C)cc1 59266346 KQRZRQHDCCLOAR-NDENLUEZSA-N 451.353 6.735 50 10 JKGE O=C(N/N=C/c1cn(Cc2ccc(F)cc2)c2ccccc12)c1cc2cc(Br)ccc2o1 59303801 DHFVCXGTNBJUQI-XODNFHPESA-N 490.332 6.101 50 10 JKGE CCOC(=O)/C(C#N)=C\c1cc(Br)c(OCCOc2ccc(C)cc2)c(OCC)c1 89269951 SOMPKLQPFSVULE-PDGQHHTCSA-N 474.351 5.084 50 10 JKGE COc1ccc(NC(=O)/C(C#N)=C/c2ccc(OCc3ccc(F)cc3)c(Br)c2)cc1 96487954 RJWDINPDDBKOAZ-LDADJPATSA-N 481.321 5.721 50 10 JKGE CCCCc1ccc(NC(=O)/C(C#N)=C\c2cc(C)n(-c3cccc(Cl)c3Cl)c2C)cc1 97986566 QCDHGIAERLBZNJ-QNGOZBTKSA-N 466.412 7.289 50 10 JKGE CCCCCCCCOc1ccc(/C=C2/C(=O)N(CCCOC)C(=O)C(C#N)=C2C)cc1OC 101335786 OPGYISDKAAYYQH-OQKWZONESA-N 468.594 5.063 50 10 JKGE COc1cc(/C=N/NC(=O)[C@H]2[C@H]3CCCC[C@]23C)ccc1OCc1ccc(Cl)cc1Cl 105509675 FCIIGKDETAEHNI-FVLXPPRESA-N 461.389 5.857 50 10 JKGE COc1ccc(Br)cc1[C@@H](Br)c1ccc(Br)cc1Cl 109834544 ZAWUEEVUSVHSBU-AWEZNQCLSA-N 469.398 6.358 50 10 JKGE ClCCc1nc2cc(Br)ccc2n1-c1ccc(Br)cc1Br 110429309 COWFOLYYPCIJGJ-UHFFFAOYSA-N 493.424 6.094 50 10 JKGE Clc1cc([C@@H](Br)c2csc(I)c2)c(Cl)s1 118884107 VPMOLFQZZZIXNE-QMMMGPOBSA-N 453.979 6.205 50 10 JKGE Cc1ccc([C@@H](Br)c2cc(Br)c(C)cc2Br)cc1Cl 128751974 VKQCZCHJPNGZST-OAHLLOKOSA-N 467.426 6.966 50 10 JKGE COc1ccc([C@@H](Br)[C@H](Br)c2ccc(OC)c(OC)c2)cc1OC 138258342 MBBHHOGFBDEQMC-QZTJIDSGSA-N 460.162 5.293 50 10 JKGE COc1ccc([C@@H](Br)c2c(F)cccc2Br)cc1Br 161189294 AARUFBBZLVXZLO-CQSZACIVSA-N 452.943 5.844 50 10 JKGE CCCCN1C(=O)C(C#N)=C(C)/C(=C/c2cn(-c3ccccc3)nc2-c2ccc(OCC)cc2)C1=O 214223645 OWWWMZNSXUQACG-UQQQWYQISA-N 480.568 5.330 50 10 JKGE COc1ccc([C@@H](Br)c2ccc(I)c(Cl)c2)cc1F 232343575 HYTXXFAFUDQYMA-AWEZNQCLSA-N 455.492 5.577 50 10 JKGE O=c1[nH]c2ccc([C@@H](Br)c3cc(Br)cc(Br)c3)cc2o1 232454688 IOQBNZXIWRRNIW-CYBMUJFWSA-N 461.935 5.130 50 10 JKGE O=[N+]([O-])c1ccc(C[C@H](Br)c2ccc(Br)cc2Br)cc1 232474038 CKADRDNRZJUZJN-ZDUSSCGKSA-N 463.951 5.799 50 10 JKGE COc1cc(Cl)c([C@@H](Br)c2ccc(F)cc2I)cc1Cl 235019333 NEBVGHDQWAJOSU-AWEZNQCLSA-N 489.937 6.230 50 10 JKGE Cc1sc(Br)cc1[C@H](Cl)c1cc(Br)cc(Br)c1 235823834 GFZUAYGKIBEQBZ-GFCCVEGCSA-N 459.428 6.672 50 10 JKGE Cc1ccc([C@@H](Br)c2cc(Br)c(C)cc2Br)c(Cl)c1 235920844 MHWSTTQNMVPPQW-OAHLLOKOSA-N 467.426 6.966 50 10 JKGE CC(=NNC(=O)c1cc(-c2ccccc2)nc2c(Cl)cccc12)c1ccc(NC(=O)C(C)(C)C)cc1 254372143 DIFJTYJPQKLRGL-UHFFFAOYSA-N 499.014 6.694 50 10 JKGE Cc1nn(-c2ccccc2)c(Cl)c1C=NNC(=O)[C@]1(C)CC[C@H](c2nc3ccccc3[nH]2)C1(C)C 254573541 RSKPKTQRNONGQM-HRFSGMKKSA-N 489.023 5.771 50 10 JKGE CCCCCCCCCCCCC(=O)NN=Cc1cn(-c2ccccc2)nc1-c1ccc(C)cc1 254875486 WCNKMAUHIXKAHC-UHFFFAOYSA-N 472.677 7.609 50 10 JKGE CCc1ccc(O[C@H](C)C(=O)NN=Cc2ccc(OCc3ccc(Cl)cc3)c(OC)c2)cc1 256018568 RYUGGJIKHUJBML-GOSISDBHSA-N 466.965 5.408 50 10 JKGE Brc1cc([C@H](Br)c2cc(Br)c(Br)s2)co1 306676246 VPRZSJCHHYKEOF-QMMMGPOBSA-N 479.813 6.113 50 10 JKGE CC(C)(C)OC(=O)N1C[C@H](CCl)[C@H](c2cc(Br)ccc2Br)C1 382695131 UDJJNQPRIUCRAP-GXFFZTMASA-N 453.602 5.401 50 10 JKGE Brc1ccc([C@H]2CN(Cc3ccccc3)C[C@@H]2CI)s1 382732628 VICYAFXTHMNVDW-KBPBESRZSA-N 462.194 5.161 50 10 JKGE C[C@@H]1CN(Cc2ccccc2)C[C@H]1n1c(CCCl)nc2cc(Br)c(F)cc21 389869950 OZFXFSIZDRAHTG-JLTOFOAXSA-N 450.783 5.412 50 10 JKGE CC[C@H](Cl)c1nc2ccccc2c(=O)n1CCCN(Cc1ccccc1)Cc1ccccc1 390511917 ZQJXLKDUFZKFAE-VWLOTQADSA-N 460.021 6.179 50 10 JKGE Fc1cc([C@H](Br)c2csc(I)c2)c(F)c(F)c1F 395653201 QTXDFQNGCIXNNI-MRVPVSSYSA-N 451.020 5.393 50 10 JKGE C[C@H](Cl)c1nc2cc(I)c(F)cc2n1[C@H]1[C@@H]2CN(Cc3ccccc3)C[C@@H]21 398383561 VDVNZIDMHWIXEQ-XSRSJLKASA-N 495.767 5.383 50 10 JKGE BrCc1cc(Br)cc(Br)c1OC[C@@H]1CC[C@@H]2C[C@@H]2C1 403746845 NWTDNNOYEFONHX-MXWKQRLJSA-N 453.012 5.922 50 10 JKGE Clc1cc(Br)ccc1[C@H](Br)c1cc(Cl)c(Cl)c(Cl)c1Cl 405071715 HDDBEIZDGUCQTP-JTQLQIEISA-N 498.256 8.200 50 10 JKGE CC(C)(C)OC(=O)NCCN1CCC[C@H](c2ccc(CCO[Si](C)(C)C(C)(C)C)cc2)CC1 616600141 DLWJRKWPYLSIEA-QHCPKHFHSA-N 476.778 6.345 50 10 JKGE CN(C(=O)OC(C)(C)C)c1ccccc1[C@@H]1CN(CCO[Si](C)(C)C(C)(C)C)c2ccccc2N1 616693402 PJTFOBLUCSVTAC-QHCPKHFHSA-N 497.756 7.053 50 10 JKGE Clc1cncc(CC(CBr)(CBr)c2ccccc2Br)c1 703625017 NRNZLGBJCRRJDN-UHFFFAOYSA-N 482.441 5.768 50 10 JKGE BrCc1ccc(N2C[C@H]3CC[C@H]2[C@@H]2CN(Cc4ccccc4)C[C@@H]32)cc1Br 705886034 KIDVABDAQFDOAA-RJSMDTJLSA-N 490.283 5.691 50 10 JKGE FC(F)(F)Sc1cc2ccsc2c(I)c1CBr 725283746 OWWKULQGHOJQJQ-UHFFFAOYSA-N 453.086 6.013 50 10 JKGE CC(=NNC(=O)CSCc1cccc(Cl)c1)c1cccc(NC(=O)c2cccc(Cl)c2)c1 1084020818 INUYJFRBMJMOPQ-UHFFFAOYSA-N 486.424 6.019 50 10 JKGE O=C(NN=Cc1ccc(OC(=O)c2ccc(Cl)c(Cl)c2)cc1)c1ccc(Cl)c(Cl)c1 1084029427 VWMKQHXSDXCZSK-UHFFFAOYSA-N 482.150 6.283 50 10 JKGE COc1ccc(/C(C#N)=C/c2ccc(OC(=O)/C=C/c3ccc(C(C)C)cc3)cc2)cc1OC 1615099371 PCZCDLIKYITQHC-IOFATVNJSA-N 453.538 6.510 50 10 JKGE Cc1ccc(NC(=O)c2oc3c(c2C)C(=NNC(=O)c2ccccc2Br)CCC3)c(C)c1 1772744485 VSIXMILOBREYJQ-UHFFFAOYSA-N 494.389 5.690 50 10 JKGE Cc1c(C(=O)Nc2cccc(C(F)(F)F)c2)oc2c1C(=NNC(=O)COc1ccccc1)CCC2 1772749443 LJJHOJHHBPZJFX-UHFFFAOYSA-N 485.462 5.095 50 10 JKGE CC(C)(C)c1ccc(C(=O)NN=Cc2cc(Br)ccc2OCc2ccccc2)cc1 1772753506 MOODAJBJQCGTMX-UHFFFAOYSA-N 465.391 6.090 50 10 JKGE CCCCOc1ccccc1C=NNC(=O)CSc1nc(-c2ccc(Cl)cc2)cs1 1772755261 XVXZHPJWIMMMMA-UHFFFAOYSA-N 460.024 5.885 50 10 JKGE COc1ccc(NC(=O)[C@H](C)Oc2cccnc2NC(=O)Nc2ccc(SC#N)cc2)cc1Cl 1858846374 JLQPVAOYTVBION-AWEZNQCLSA-N 497.964 5.367 50 10 JKGE COc1ccc(-c2nn(-c3cccc(Cl)c3)c3c2[C@@H](c2cccc(O)c2)C(C#N)=C(N)O3)cc1 1865681597 RGAFKGPGRMXMKR-QFIPXVFZSA-N 470.916 5.125 50 10 JKGE N#CC1=C(N)Oc2c(c(-c3ccccc3)nn2Cc2ccc(F)cc2)[C@@H]1c1ccc(Cl)cc1Cl 1865685436 IROUALYNFNZNSQ-JOCHJYFZSA-N 491.353 6.262 50 10 JKGE CCCc1nn(Cc2ccc(Cl)c(Cl)c2)c2c1[C@@H](c1ccc(CC)cc1)C(C#N)=C(N)O2 1865708731 DXJCDEYCXWFCOU-QFIPXVFZSA-N 467.400 5.971 50 10 JKGE CCCc1nn(Cc2ccccc2)c2c1[C@@H](c1cccc(OCc3ccccc3)c1)C(C#N)=C(N)O2 1865712147 QMHZQWVATPTQJH-MHZLTWQESA-N 476.580 5.681 50 10 JKGE Cc1nc(-c2ccc(Cl)c(Cl)c2)ccc1C(=O)NNC(=O)/C=C/c1ccc(C(C)C)cc1 1865759010 DMVCKKZLPZFGHS-AWNIVKPZSA-N 468.384 5.962 50 10 JKGE Cc1nc(Nc2ccc(SC#N)cc2)cc(N2CCc3ccccc3[C@@H]2c2cccc(F)c2)n1 1868480557 OVUMEDFNNPHARO-MHZLTWQESA-N 467.573 6.393 50 10 JKGE Cc1c(OCc2cccc(CCl)c2)ccc2c1O/C(=C\c1ccc(Cl)c(Cl)c1)C2=O 1871437474 ZRJUBBAVMOUXIU-JJFYIABZSA-N 459.756 7.236 50 10 JKGE C[C@@H](/C(O)=C(\C#N)c1nc(-c2ccc(Cl)c(Cl)c2)cs1)N1C(=O)c2ccccc2C1=O 1872748808 OPKOQPBFJGSZHH-HSHIVQNRSA-N 470.337 5.594 50 10 JKGE Cc1ccc(S(=O)(=O)NC/C(O)=C(\C#N)c2nc(-c3cc(C(C)(C)C)ccc3C)cs2)cc1 1872755701 AQTKXUZSXALZNI-LNVKXUELSA-N 481.643 5.496 50 10 JKGE COc1ccc(/C=C/C(O)=C(\C#N)c2nc(-c3cc(Cl)cc(C)c3OC)cs2)c(OC)c1 1872757120 RHLPLAUARWYBKU-QJGFGJJLSA-N 468.962 6.304 50 10 JKGE N#C/C(=C(/O)c1ccccc1C(=O)c1ccccc1)c1nc(-c2cc(Cl)ccc2Cl)cs1 1872758260 SMLAASPSUXEFFN-GFMRDNFCSA-N 477.372 7.298 50 10 JKGE N#C/C(=C\c1cc2c(cc1[N+](=O)[O-])OCCO2)c1nc(-c2ccc(Br)cc2)cs1 1872780885 OTIQWZDHMQCZAS-VGOFMYFVSA-N 470.304 5.316 50 10 JKGE COc1cc(/C=C(\C#N)c2nc(-c3ccc(OC)c(OC)c3OC)cs2)ccc1OC(C)C 1872794883 BKLNITJPGZBTJT-GZTJUZNOSA-N 466.559 5.696 50 10 JKGE COc1ccc(Cl)cc1-c1csc(/C(C#N)=C/c2cc(Br)cc(OC)c2O)n1 1872795196 SDBDVALPMGXDCN-LFYBBSHMSA-N 477.767 6.013 50 10 JKGE CC[C@@H](Br)CN(Cc1ccccc1)S(=O)(=O)c1ccc(Cl)c(Br)c1 1915076829 DSIHXSRQFIUABZ-CQSZACIVSA-N 495.664 5.467 50 10 JKGE Cc1cc([C@H](Br)c2scc(C(F)(F)F)c2Br)oc1Br 1917607012 VXDREMCOCZNXAI-QMMMGPOBSA-N 482.941 6.678 50 10 JKGE CC(C)(C)OC1CC([C@H](Br)c2sc(Br)cc2Br)C1 1922911468 CNLLNLKVUQQWDV-AYVLWNQUSA-N 461.057 6.303 50 10 JKGE Clc1c(Br)sc(Br)c1[C@@H](Cl)c1sccc1Br 1923050068 PSBSJXNMWPLMRX-RXMQYKEDSA-N 485.875 7.079 50 10 JKGE Brc1cc(Br)cc([C@@H](Br)Cc2ccncc2Br)c1 1924050905 DLVRUMRYYOEVPE-LBPRGKRZSA-N 498.838 6.048 50 10 JKGE Cl[C@H](CC[C@@H]1CCCO1)c1c(Br)sc(Br)c1Br 1924583142 GLDMGNLYVNIBJW-NKWVEPMBSA-N 467.448 6.275 50 10 JKGE Cc1cccc(C[C@H](Cl)c2c(Br)sc(Br)c2Br)c1 1924585228 JEIHHMYGKCZKTL-VIFPVBQESA-N 473.455 6.867 50 10 JKGE C[C@@H]1C[C@@H]1CC[C@@H](Br)c1c(Br)sc(Br)c1Br 1989526085 AIVGZJWIQQEYCT-DSYKOEDSSA-N 495.900 6.908 50 10 JKGE Cc1oc(Br)cc1[C@@H](Br)c1cc(C2CC2)c(Br)s1 2033628341 WLFGNRNJHUTQMH-GFCCVEGCSA-N 455.009 6.536 50 10 JKGE COc1sc([C@@H](Br)c2cccc(Br)c2Cl)cc1Br 2034630359 VKLNNXGZZRITMO-JTQLQIEISA-N 475.427 6.419 50 10 JKGE COCc1cc(Br)c([C@@H](Cl)c2cc(Br)c(Cl)s2)s1 2052441548 FNSUMOVBRWDPSG-VIFPVBQESA-N 451.032 6.463 50 10 JKGE C[C@]1(CCOCc2ccccc2)CCN1c1c(CBr)ccc(Br)c1Cl 2077099317 DCRMNLVMHYLBDQ-HXUWFJFHSA-N 487.663 6.573 50 10 JKGE Cl[C@@H](c1ccc(I)c(Br)c1)c1ccc(CC2CC2)s1 2087640976 ATJIHRKVAVRZQH-HNNXBMFYSA-N 467.597 6.396 50 10 JKGE Cl[C@@H](c1cc(Br)cc(Br)c1)c1cc(C2CC2)c(Br)s1 2094673022 GMAQLVDOYINTQD-ZDUSSCGKSA-N 485.466 7.241 50 10 JKGE Cc1sc(Br)cc1[C@@H](Br)c1cc(Cl)c(Cl)c(Cl)c1Cl 2095696606 MEHUFXKLNNEAKX-SECBINFHSA-N 483.867 7.917 50 10 JKGE Fc1cc(Cl)c(Br)cc1[C@H](Cl)c1ccc(Br)cc1Br 2097835517 SMWHPYVSSYIRSG-CYBMUJFWSA-N 491.807 7.095 50 10 JKGE FC1(F)C[C@]12CCC[C@H]([C@@H](Br)c1sc(Br)cc1Br)C2 2099907010 DUYARXPQBDQDGR-HNBZJPLGSA-N 479.022 6.925 50 10 JKGE BrCC1(Cc2cc(Br)ccc2Br)CC2(CCCO2)C1 2118533003 VQJNZNOPDKJKRV-UHFFFAOYSA-N 453.012 5.478 50 10 JKGE COCCCN(Cc1ccccc1)S(=O)(=O)c1ccc(Cl)c(CBr)c1Cl 2123252177 NQFXNJYCPXQYLX-UHFFFAOYSA-N 481.239 5.116 50 10 JKGE COc1cc(Br)c(Oc2cccc(CBr)n2)cc1Br 2125209080 BYWFMTNIVDZQMD-UHFFFAOYSA-N 451.940 5.302 50 10 JKGE C[C@@]1([C@@H](Br)c2ccc(Br)cc2Br)CCCCC1(F)F 2138873646 QMRBIQWXHSCKRG-STQMWFEESA-N 460.982 6.863 50 10 JKGE CC1(C)CCC(CBr)(Cc2ccc(I)c(Cl)c2)CC1 2142939086 DKBVZNZCZDGDAD-UHFFFAOYSA-N 455.605 6.469 50 10 JKGE Clc1cc(CN2[C@H](CBr)C[C@@H]3CCC[C@@H]32)ccc1I 2142950182 PJHMCOJSWSMJBO-HUBLWGQQSA-N 454.577 5.083 50 10 JKGE ClCCc1nc2cc(Br)c(Cl)cc2n1Cc1cnn(Cc2ccccc2)c1 2159885656 LUADJAAUNZVWOE-UHFFFAOYSA-N 464.194 5.527 50 10 JKGE F[C@H](COc1c(Br)cc(CBr)cc1Br)C1CCOCC1 2178092782 MMOCUHWFAUCJJR-CYBMUJFWSA-N 474.990 5.250 50 10 JKGE Brc1ccccc1[C@H](CI)O[C@H]1CCOC2(CCC2)C1 2197371537 ZBEHRJOVJWHTEM-WFASDCNBSA-N 451.142 5.044 50 10 JKGE Cc1cc(Br)c(C)c([C@H](Br)CC(C)(C)C(F)(F)F)c1Br 2201066659 CPVQWUVOCIJAQL-SNVBAGLBSA-N 480.988 7.243 50 10 JKGE CCCCN(CCCCCI)C[C@@H]1CCCN1C(=O)OC(C)(C)C 2214705099 NJAMPFOIZISWMK-KRWDZBQOSA-N 452.421 5.093 50 10 JKGE Cc1sc([C@@H](Br)Cc2ncccc2Br)c(C)c1Br 2218969300 OJRMVKFFKQPFCD-JTQLQIEISA-N 454.025 5.964 50 10 JKGE Cc1cc(Br)c([C@@H](Cl)c2cc(Br)c(Br)cc2F)s1 2221821250 YVLSERUVZHGOMZ-NSHDSACASA-N 477.418 6.811 50 10 JKGE FC(F)(F)CCC[C@H](Br)c1c(Br)cc(Cl)c(Cl)c1Cl 2224317503 OARGEAXKDYMFLV-YFKPBYRVSA-N 463.346 7.578 50 10 JKGE CC[C@H](CC(F)(F)F)[C@H](Br)c1cc(Br)c(Br)cc1F 2225632947 GLECAOKFMPWROZ-KBUNVGBDSA-N 470.924 6.765 50 10 JKGE Cc1cc(Br)c([C@H](Br)[C@H]2C[C@]23CC3(F)F)c(C)c1Br 2227354490 WUDMWSMQRWIVJH-WQHBLYJGSA-N 458.966 6.310 50 10 JKGE Cc1cc(Br)c([C@@H](Br)[C@@]23CC[C@@H](CO2)C3)c(C)c1Br 2227359422 IARJHNKOOKBWLO-KMUNFCNLSA-N 453.012 5.834 50 10 JKGE O=C(Nc1ccccc1CCBr)c1cc(Br)c(Br)s1 2230650727 UDFRWJARWDPMEP-UHFFFAOYSA-N 468.008 5.463 50 10 JKGE CCOCc1cc(Br)c([C@@H](Br)c2c(Br)cnn2CC)s1 2233035851 PUYRDSHKTNXYEG-NSHDSACASA-N 487.055 5.510 50 10 JKGE BrC[C@@H]1C[C@H]2CCCC[C@@H]2N1Cc1cc(Br)ccc1Br 2240685656 DJDLSZLHJUYRLF-WPGHFRTFSA-N 466.055 5.740 50 10 JKGE Cc1cc([C@H](Cl)c2sc(C)c(C)c2Br)ccc1I 2253505940 UPWHVVNRRBIAQL-ZDUSSCGKSA-N 455.586 6.369 50 10 JKGE COc1c(Br)cc(Cl)cc1[C@@H](Br)c1sncc1Br 2263446073 ITEPPJAHUZQKLC-SECBINFHSA-N 476.415 5.814 50 10 JKGE CC(C)([C@H](Br)Cc1cc(Br)cc(Br)c1)C(F)(F)F 2263519229 OWFKECIKYXPODR-SNVBAGLBSA-N 452.934 6.106 50 10 JKGE Fc1cc(Br)c([C@@H](Cl)c2scc(Br)c2Cl)c(F)c1F 2264604304 AUMKCHZTMSBAFL-MRVPVSSYSA-N 454.920 6.672 50 10 JKGE Cc1cc([C@H](Cl)c2c(F)cccc2I)c(C)cc1Br 2267660721 RYRDGACMDKYNHY-HNNXBMFYSA-N 453.520 6.138 50 10 JKGE FC1(F)C[C@@](CBr)(Cc2cccc(Br)c2Br)C12CCC2 2280873039 KVXYQPOYLMPZKS-CYBMUJFWSA-N 472.993 6.345 50 10 JKGE C=CCOc1ccccc1C=C(C#N)C(=O)Nc1ncc(Cc2cc(Cl)ccc2Cl)s1 2293038607 OFOIXFRDENJIIC-UHFFFAOYSA-N 470.381 6.151 50 10 JKGE COc1cc(C=C(C#N)C(=O)NCc2ccco2)ccc1OCc1ccc(Cl)cc1Cl 2293818055 HFEYFHNMKPGYNM-UHFFFAOYSA-N 457.313 5.397 50 10 JKGE COc1cccc(NC(=O)C(C#N)=Cc2c(C)n(Cc3ccc(Cl)cc3)c3ccccc23)c1 2294146910 AMEXBLWRZMKJDW-UHFFFAOYSA-N 455.945 6.206 50 10 JKGE CCc1ccc(NC(=O)C(C#N)=Cc2c(C)n(Cc3ccc(Cl)cc3Cl)c3ccccc23)cc1 2294171972 NWOAMTQKDZICIQ-UHFFFAOYSA-N 488.418 7.413 50 10 JKGE CCCCCCCC=CC(=O)O[C@@H]1CCC(C)(C)C(C=CC(C)=CC=CC(C)=CC=O)=C1C 2294818671 CEPKSHHOWXXOTK-MUUNZHRXSA-N 452.679 8.155 50 10 JKGE COc1c(Br)cc(Cl)c(C)c1[C@@H](Cl)c1cnn(C)c1I 2295284346 ZJSUSIULUNYYBN-NSHDSACASA-N 489.966 5.086 50 10 JKGE Fc1cc(Cl)c([C@H](Br)c2cc3sc(Br)cc3s2)cc1F 2295491899 CXSBZQBNTAZEAU-ZDUSSCGKSA-N 458.574 7.141 50 10 JKGE COC(=O)c1ccc(C(=O)OC)c(NC=C(C#N)c2nc(-c3ccc(CC(C)C)cc3)cs2)c1 2295937262 GILGUWBBLQEFKY-UHFFFAOYSA-N 475.570 5.558 50 10 JKGE COc1ccccc1NC(=O)C(C#N)=C1S[C@@H](Cc2ccccc2Cl)C(=O)N1c1ccccc1 2296506854 IKFYEXXIPNLNKR-QHCPKHFHSA-N 489.984 5.414 50 10 JKGE N#CC(C(=O)Nc1ccccc1F)=C1S[C@@H](Cc2ccc(F)cc2)C(=O)N1c1ccccc1 2296507028 PTMOFHADHKTRBU-QFIPXVFZSA-N 461.493 5.030 50 10 JKGE CCOC(=O)c1ccc(NC(=O)C(C#N)=Cc2ccc(-c3cc(Cl)ccc3Cl)o2)cc1 2296655584 BYMGYMBJMOHLMO-UHFFFAOYSA-N 455.297 5.976 50 10 JKGE Cc1ccc(NC(=O)C(C#N)=Cc2c(Oc3cc(C)cc(C)c3)nc3c(C)cccn3c2=O)cc1 2297318693 ZBVDGTMFEDDFRA-UHFFFAOYSA-N 464.525 5.266 50 10 JKGE C[C@@]1([C@H](Br)c2ccc(OCc3ccccc3)cc2Br)COCCO1 2299491268 DLQHGVNYKWHXSU-MOPGFXCFSA-N 456.174 5.270 50 10 JKGE C[C@]1([C@H](Br)c2cc(Br)ccc2OCc2ccccc2)CCCCO1 2299520803 CHXHNNQVYHLHNH-WOJBJXKFSA-N 454.202 6.423 50 10 JKGE CCC1CC(CBr)(Cc2ccc(I)c(Br)c2)C1 2306231846 NFPNXVDHDKCEFV-UHFFFAOYSA-N 472.002 5.798 50 10 JKGE N#CC(=Cc1ccccc1OCc1ccc(Cl)cc1Cl)C(=O)Nc1cccc(Cl)c1 2313631846 WZOBRCCGMZTHKR-UHFFFAOYSA-N 457.744 6.771 50 10 JKGE C[C@]12CC[C@@H]3[C@H](CC=C4C[C@@H](OC(=O)C=Cc5ccccc5)CC[C@@]43C)[C@H]1CCC2=NNC(N)=O 2313652935 NMEUWUBEWUDIDC-GXNNKDHRSA-N 475.633 5.599 50 10 JKGE FC1(F)CC[C@@H]2[C@H]([C@@H](Br)c3ccc(OCc4ccccc4)cc3Br)[C@@H]21 2314439262 GJIIBBCRNDFAGT-LULLPPNCSA-N 472.167 6.755 50 10 JKGE N#CC(=Cc1ccc(-c2c(Cl)cccc2Cl)o1)c1nc(O)c2c3c(sc2n1)CCCC3 2314456997 PQMMEFHVTJQWMQ-UHFFFAOYSA-N 468.365 6.907 50 10 JKGE CCCN1C(=O)C(=Cc2cn(-c3ccccc3)nc2-c2c(C)cc(C)cc2C)C(C)=C(C#N)C1=O 2314611039 PBZHETSDKUYGBA-UHFFFAOYSA-N 464.569 5.467 50 10 JKGE BrC[C@H](Cc1ccc(I)c(Br)c1)C1CCOCC1 2325229263 MZRBUXNOMLUQIF-LBPRGKRZSA-N 488.001 5.034 50 10 JKGE CCCOc1ccc(-c2csc(C(C#N)=C(O)c3ccc(Cl)cc3[N+](=O)[O-])n2)cc1OCCC 2331293619 IANAQXOIPQYZIR-UHFFFAOYSA-N 499.976 6.899 50 10 JKGE CCCCCCCOc1ccc(-c2csc(C(C#N)=C(O)COc3ccc(CCC)cc3)n2)cc1 2331345237 ABWVVVROJIPAEY-UHFFFAOYSA-N 490.669 7.983 50 10 JKGE CCOc1cc(C=C(C#N)c2nc(-c3c(C)cc(C)cc3C)cs2)ccc1OCc1ccccc1 2331477509 XCMBNDFBVHTQMT-UHFFFAOYSA-N 480.633 7.777 50 10 JKGE N#CC(=Cc1ccccc1OCc1ccc(Cl)cc1)c1nc(-c2ccc(Cl)s2)cs1 2331485000 IRDOGDCUCJQEBC-UHFFFAOYSA-N 469.418 7.822 50 10 JKGE Cn1nc(Br)c(Br)c1[C@@H](Cl)c1cc(Cl)c(Br)cc1F 2338862845 ZGAGMSGKNGIBGW-VIFPVBQESA-N 495.799 5.828 50 10 JKGE Cc1cc(Br)c(F)c(Br)c1[C@@H](Br)[C@H]1C2C[C@@H]3C1[C@@H]3C2 2339657628 ZTPKSEPJLWJLNT-HAESPHQKSA-N 452.987 5.997 50 10 JKGE Cc1cc(Br)c(F)c(Br)c1[C@H](Br)[C@H]1CCC[C@@H](C)O1 2339658365 HHIHGKZNGXIFPO-HLUHBDAQSA-N 458.991 6.053 50 10 JKGE Cc1cc(Br)c(F)c(Br)c1[C@@H](Cl)c1cnn(C)c1Br 2339686369 LPECBJOYUQQBNN-JTQLQIEISA-N 475.381 5.483 50 10 JKGE COc1c(Br)cc(C)c([C@H](Br)c2cocc2C)c1Br 2339689058 BSUDUXLFPZQSIT-GFCCVEGCSA-N 452.968 5.914 50 10 JKGE Fc1cccc(Cl)c1C[C@@H](Br)c1ccc(Cl)cc1I 2340059398 UYEQBFYRUAGEQT-LLVKDONJSA-N 473.938 6.416 50 10 JKGE Fc1ccc(OCc2cc(I)ccc2Br)c(CBr)c1 2341781834 YTPBOBZFSXQHQR-UHFFFAOYSA-N 499.943 5.667 50 10 JKGE Fc1cccc(C(CBr)(CBr)Cc2nc(Br)cs2)c1 2342917485 FOFKFAUTVRUNKV-UHFFFAOYSA-N 472.015 5.315 50 10 JKGE BrC[C@H]1CCC2(CC2)CN1Cc1ccc(I)c(Br)c1 2349843750 YLIPMUIJTSOTIE-GFCCVEGCSA-N 499.028 5.193 50 10 JKGE C[C@@H]1CCCN(Cc2cc(I)ccc2Cl)[C@H]1CCBr 2352418051 QNPUBIUKVGVBEH-ABAIWWIYSA-N 456.593 5.330 50 10 JKGE CC[C@@H](CC(F)(F)F)[C@@H](Br)c1c(F)cc(Cl)c(Br)c1Cl 2360432496 CSOMMZUADWEVRJ-SSDLBLMSSA-N 460.918 7.310 50 10 JKGE Fc1cc(Cl)c(Br)c(Cl)c1[C@H](Cl)c1c(Cl)cccc1Br 2360482879 CTUXRMVFKPUTIA-GFCCVEGCSA-N 481.801 7.639 50 10 JKGE Fc1cc(Cl)c(Br)c(Cl)c1[C@@H](Br)[C@H]1CC[C@@H]2[C@H]1C2(F)F 2360485085 YHUYEBGYOMGRDY-NJRKRBMHSA-N 452.923 6.622 50 10 JKGE CC(F)(F)c1ccc([C@H](Br)c2cc(Br)ccc2OCc2ccccc2)cc1 2361167504 CXOXWSUNCWGKDT-NRFANRHFSA-N 496.189 7.624 50 10 JKGE Fc1c(Br)cc(Cl)c([C@@H](Cl)c2c(Cl)cccc2Cl)c1Br 2362238702 JQGROVPAFDQOKK-LBPRGKRZSA-N 481.801 7.639 50 10 JKGE C[C@H](C[C@H](Br)c1c(Cl)cc(Br)c(F)c1Br)CC(C)(C)C 2362254119 LEEXXRNFDXKVIB-BDAKNGLRSA-N 493.480 7.903 50 10 JKGE Fc1cc(CBr)c(N2CCC[C@@H]2[C@H]2CCN(Cc3ccccc3)C2)cc1Cl 2362394398 MGRRZELTDCQDPF-LAUBAEHRSA-N 451.811 5.865 50 10 JKGE COc1c([C@H](Cl)c2c(C)cc(Br)c(F)c2Br)csc1Cl 2365176882 UPZXYQVKWOGDHR-JTQLQIEISA-N 462.993 6.711 50 10 JKGE COc1c(Br)cc(C)c([C@H](Br)[C@@H]2CCC[C@H](F)C2)c1Br 2365191039 KSARFLNTBCILOK-GBIKHYSHSA-N 473.018 6.493 50 10 JKGE CCc1cc(Br)c(OC)c([C@H](Br)c2csc(C)c2Br)c1 2381247884 YCYWZDZPPRTLRX-AWEZNQCLSA-N 483.063 6.637 50 10 JKGE COc1ccc(/C=N/NC(=O)Cc2ccc(F)cc2)cc1COc1cc(C)c(Cl)c(C)c1 1949536 AXHKILGONYGYFE-CCVNUDIWSA-N 454.929 5.376 50 10 JKGE N#C/C(=C/c1ccc(Cl)cc1)C(=O)Nc1ncc(Cc2ccc(Br)cc2)s1 15357216 WUZMGEMVUPBPTL-DHDCSXOGSA-N 458.768 5.695 50 10 JKGE Cc1ccc(C)c(N/C(SCc2ccc(Cl)cc2)=C(/C#N)S(=O)(=O)c2ccccc2)c1 20325703 FTKLMBKLNLTVHC-WCWDXBQESA-N 469.031 6.469 50 10 JKGE CC(C)(C)c1ccc2c(c1)O[C@H](C(=O)N/N=C/c1cccc(OC(=O)c3ccccc3Cl)c1)CO2 26675820 LATXTMYUKODGOA-HQYUJTHISA-N 492.959 5.147 50 10 JKGE C=CCOc1ccc(-c2nn(-c3ccccc3)cc2/C=C(\C#N)S(=O)(=O)c2ccccc2)cc1C 27551178 NLALJCNJCWBGTG-NLRVBDNBSA-N 481.577 5.751 50 10 JKGE COc1ccc(/C(C#N)=C\c2ccc(OC(=O)c3cc(OC)c(OC)c(OC)c3)c(OC)c2)cc1 31902235 NMWKKBCASHYWMI-NDENLUEZSA-N 475.497 5.013 50 10 JKGE CCCCCOC(=O)c1ccc(NC(=O)/C(C#N)=C\c2ccc(OC(=O)c3ccc(C)cc3)cc2)cc1 33712907 GGWPOBUTARZMTD-PLRJNAJWSA-N 496.563 6.107 50 10 JKGE C=CCNC(=O)/C(C#N)=C\c1cn(-c2ccccc2)nc1-c1cccc(OCc2ccc(F)cc2)c1 35446063 CCDQHUAROVJBDF-KQWNVCNZSA-N 478.527 5.467 50 10 JKGE N#CC1=C(N)Oc2cc(OC(=O)c3cccc4ccccc34)ccc2[C@H]1c1ccccc1Cl 38651053 HEEJSOUHWWPBRK-RUZDIDTESA-N 452.897 5.931 50 10 JKGE N#CC1=C(N)Oc2cc(OC(=O)COc3ccc(Cl)cc3Cl)ccc2[C@@H]1c1ccc(F)cc1 38652553 ACQHIGOQJPTHFJ-QHCPKHFHSA-N 485.298 5.335 50 10 JKGE CCCCCOc1ccc(C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@@H]3c2cccc(F)c2)cc1 38678068 XWGDBWGKOCQKEO-AREMUKBSSA-N 472.516 5.832 50 10 JKGE Cc1ccc(/C=N/N(C(=O)C2CCCCC2)c2nc3ccc(Br)cc3s2)cc1 39713749 WKQFMEKVMDDDTO-ZVHZXABRSA-N 456.409 6.315 50 10 JKGE COc1ccc(-c2nn(-c3ccccc3)cc2/C=C(/C#N)c2nc(-c3ccccc3)cs2)cc1 39792535 HMSSPRAKNFZQHK-JWGURIENSA-N 460.562 6.736 50 10 JKGE CCCCCOc1cccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)Cc4ccc(OC)cc4)ccc32)c1 40530132 WDPYGIUMVIDWHJ-LJAQVGFWSA-N 498.579 5.630 50 10 JKGE Cc1c(C(=O)Nc2ccncc2)oc2c1/C(=N/NC(=O)C(c1ccccc1)c1ccccc1)CCC2 40815459 XWXXZMFAZYWHTI-AWSUPERCSA-N 478.552 5.224 50 10 JKGE COC(=O)/C(C#N)=C/c1cccc(OC(=O)COc2ccc(-c3ccccc3)cc2Br)c1 40934416 YDKYHNPETOONJE-UDWIEESQSA-N 492.325 5.180 50 10 JKGE CCCOc1ccc(/C=N/NC(=O)CCCOc2ccc(C(C)(C)C)cc2Br)cc1 40951381 XAKFEUBGNZVBAT-YZSQISJMSA-N 475.427 5.845 50 10 JKGE COc1cc(/C=N/NC(=O)c2ccc(C(C)(C)C)cc2)ccc1OC(=O)c1ccccc1Cl 48573804 YGSUCYYZFLAIBY-LQKURTRISA-N 464.949 5.629 50 10 JKGE CCCCOc1ccc(/C=C/C(=O)Oc2ccc(/C=C(\C#N)C(=O)OCC)cc2OC)cc1OCC 54624622 MXRARQUDCIWADK-KJNJSDGNSA-N 493.556 5.362 50 10 JKGE Cc1ccc(COc2ccc(Br)cc2/C=N\NC(=O)CC[C@H](O)c2ccccc2)cc1 58892497 XJXQSFOSYUWHHH-PXDDYHHSSA-N 481.390 5.300 50 10 JKGE CCCCCOc1ccccc1C(=O)N/N=C/c1ccc(OCc2ccc(C(=O)O)cc2)c(OC)c1 59152592 WJDZHCMRZQSZDG-RDRPBHBLSA-N 490.556 5.305 50 10 JKGE COc1cccc(/C=N/NC(=O)CSc2c(Cl)c(Cl)c(Cl)c(Cl)c2Cl)c1 59158470 CIJJWNKUNZISMP-GEVRCRHISA-N 472.608 6.205 50 10 JKGE O=C(CCc1ccccc1O)N/N=C/c1ccccc1Oc1ccc(C(F)(F)F)cc1[N+](=O)[O-] 59500350 YHTFURCTCJOIFW-MZJWZYIUSA-N 473.407 5.194 50 10 JKGE Fc1cc(Br)cc(CC(CCl)(CCl)c2ccccc2Br)c1 125122570 BAJDTYGJZSCYKG-UHFFFAOYSA-N 454.992 6.309 50 10 JKGE Cc1cc(Br)c([C@@H](Br)C[C@H]2C[C@@H]3CC[C@@H]2C3)cc1Br 128765954 IBVYNMLQTXXBNC-QHSOUUPTSA-N 451.040 6.782 50 10 JKGE Cc1cc(Cl)cc([C@H](Br)c2cc(Br)c(Br)s2)c1 157701732 ASUMDIMDVCSTEC-NSHDSACASA-N 459.428 6.719 50 10 JKGE Clc1cc2c(cc1[C@@H](Cl)c1cc(Br)ccc1Br)OCCO2 161071154 VBIXUPSRZUZJRL-HNNXBMFYSA-N 452.957 5.964 50 10 JKGE CCCCCCOc1ccc(/C=C(/C#N)C(=O)NCCOc2cccc3ccccc23)cc1OC 206264386 ZQSXUHMHJNUYEE-CLCOLTQESA-N 472.585 5.910 50 10 JKGE CCOC(=O)/C(C#N)=C\c1ccc(OC(=O)CCCOc2ccc(C(C)C)cc2)c(OCC)c1 206992507 PALYGSOHAMEIIU-JWGURIENSA-N 465.546 5.443 50 10 JKGE Fc1cc(Cl)c([C@H](Cl)c2cc(Br)ccc2I)cc1F 236215335 GJBLVNGNGDLMEY-ZDUSSCGKSA-N 477.901 6.314 50 10 JKGE Cc1cc(Br)c([C@@H](Br)C[C@H]2C[C@H]3CC[C@H]2C3)cc1Br 251063778 IBVYNMLQTXXBNC-OVZMXSCWSA-N 451.040 6.782 50 10 JKGE CC(=NNC(=O)c1sc2cccc(Cl)c2c1Cl)c1cccc(NC(=O)c2cccnc2)c1 252634467 WODZSXQUDKTGKK-UHFFFAOYSA-N 483.380 6.009 50 10 JKGE COc1ccc2ccccc2c1C(=O)NN=Cc1ccccc1OCc1cccc2ccccc12 254401083 ATKMGWBPXLFPLL-UHFFFAOYSA-N 460.533 6.345 50 10 JKGE CC(=NNC(=O)CSc1nnc(SCc2ccccc2)s1)c1ccc(-c2ccccc2)cc1 254557343 SLCQNYIKDDYYPI-UHFFFAOYSA-N 490.679 6.130 50 10 JKGE O=C(NN=Cc1ccc(OCc2cccc([N+](=O)[O-])c2)cc1)c1cc2c(ccc3ccccc32)o1 254698223 SLTZEJQSDSMPAV-UHFFFAOYSA-N 465.465 5.837 50 10 JKGE CCOc1cc(C=NNC(=O)[C@@H](Cc2ccccc2C)c2ccccc2)cc(Br)c1O 254814675 QNUOIXMHLMMGFT-NRFANRHFSA-N 481.390 5.338 50 10 JKGE Cc1occc1C(=O)N/N=C1\CCCc2oc(C(=O)Nc3ccc(N=Nc4ccccc4)cc3)c(C)c21 256018186 FIENEIWTCOLBMN-PHNZHVKOSA-N 495.539 6.628 50 10 JKGE Fc1cccc([C@@H](Br)c2cc(I)cc3c2OCC3)c1Cl 312411063 XACZSTMAGRKMLP-CYBMUJFWSA-N 467.503 5.503 50 10 JKGE Cc1cc(F)c([C@@H](Cl)c2cc(I)ccc2Br)cc1Cl 395826254 UBQORRCUOJBRTK-AWEZNQCLSA-N 473.938 6.483 50 10 JKGE Clc1ccc(I)c(C[C@@H]2CCc3ccccc3[C@@H]2Br)c1 405349816 TVUJPWBWHBKDGC-YVEFUNNKSA-N 461.568 6.186 50 10 JKGE CN(C(=O)OC(C)(C)C)c1ccccc1[C@H]1CCN(CCO[Si](C)(C)C(C)(C)C)CCO1 616595458 MNVBSWAWVOFHQM-JOCHJYFZSA-N 464.723 5.843 50 10 JKGE Brc1csc([C@@H](Br)Cc2ccc3ccccc3n2)c1Br 705452256 ARJATCCOFINYRY-NSHDSACASA-N 476.031 6.500 50 10 JKGE C[C@H](Br)C[C@H]1CCCCCN1C(=O)c1scc(Br)c1Br 707806014 GMZDKLYPRZLRPL-VHSXEESVSA-N 488.083 5.831 50 10 JKGE C[C@@H](Cl)c1nc2cc(I)c(F)cc2n1C[C@H]1CCN1Cc1ccccc1 716226668 GJGOVOQHLLNPOC-UKRRQHHQSA-N 483.756 5.354 50 10 JKGE CCn1cc([C@H](Br)c2ccc(C)c(Br)c2C)nc1Br 719596335 LRWGAYBRJMTVHY-CYBMUJFWSA-N 451.000 5.529 50 10 JKGE COc1ccc(-n2c(C)cc(C=NNC(=O)c3cc4cc(Br)ccc4o3)c2C)cc1 1083931675 PLMZNRSCLRIFRJ-UHFFFAOYSA-N 466.335 5.375 50 10 JKGE O=C(Cn1c(C(F)(F)F)nc2ccccc21)NN=Cc1ccc(OCc2ccccc2Cl)cc1 1084330801 YQHXPIZSOIUIFT-UHFFFAOYSA-N 486.881 5.438 50 10 JKGE CCOc1ccc2nc(Sc3ccc(C=NNC(=O)c4ccccc4Cl)o3)sc2c1 1084504047 SSZXOFBGUKWFCI-UHFFFAOYSA-N 457.964 5.857 50 10 JKGE CC(C)(C)N(NC(=O)Nc1cc(F)ccc1F)C(=O)c1cc(Cl)c(Cl)c(Cl)c1 1088694237 BHHIBWSWRJZGCS-UHFFFAOYSA-N 450.700 5.902 50 10 JKGE Cc1c(C(=O)Nc2ccccc2F)oc2c1C(=NNC(=O)c1ccc(Br)cc1)CCC2 1772744342 VVVIKQFKVYZQBM-UHFFFAOYSA-N 484.325 5.212 50 10 JKGE CCCCOc1ccc(NC(=O)c2oc3c(c2C)C(=NNC(=O)c2cccs2)CCC3)cc1 1772748151 ALBKIIRWZRZYFW-UHFFFAOYSA-N 465.575 5.551 50 10 JKGE CCOC(=O)NN=C1CCCc2oc(C(=O)Oc3ccc(-c4ccc(C#N)cc4)cc3)c(C)c21 1772750973 FAULKBJBVYVMHH-UHFFFAOYSA-N 457.486 5.132 50 10 JKGE CC(C)(C)CC(C)(C)c1ccc(OCC(=O)NN=Cc2cccc(OCc3ccccc3)c2)cc1 1772752898 VQNGDIFDGINOMC-UHFFFAOYSA-N 472.629 6.509 50 10 JKGE CC(C)(C)c1cc(Br)ccc1OCC(=O)NN=Cc1c(Cl)cccc1Cl 1772753914 DNGMMUAACLICFW-UHFFFAOYSA-N 458.183 5.583 50 10 JKGE COc1ccc(-c2nn(Cc3c(F)cccc3Cl)c3c2[C@H](c2ccccc2)C(C#N)=C(N)O3)cc1 1865680153 AAOVYOMTIMEIIB-HSZRJFAPSA-N 486.934 5.618 50 10 JKGE CCCc1nn(Cc2cc(C)ccc2C)c2c1[C@H](c1ccc(OCC)c(OCC)c1)C(C#N)=C(N)O2 1865688794 AYTUKDIMYOBTHJ-AREMUKBSSA-N 486.616 5.516 50 10 JKGE C=CCOc1ccccc1[C@H]1C(C#N)=C(N)Oc2c1c(CCC)nn2Cc1ccccc1Cl 1865691127 JZPXFTFBSWAIIL-QHCPKHFHSA-N 460.965 5.320 50 10 JKGE CCCCCOc1ccc([C@@H]2C(C#N)=C(N)Oc3c2c(CC)nn3-c2cccc(Cl)c2)cc1OC 1865696501 OHPVEMNRZJEZHM-XMMPIXPASA-N 493.007 5.884 50 10 JKGE Cc1ccsc1[C@@H]1C(C#N)=C(N)Oc2c1c(C(F)(F)F)nn2Cc1ccccc1Cl 1865698907 FXURXYQCLGIHEH-CQSZACIVSA-N 450.873 5.192 50 10 JKGE N#CC1=C(N)Oc2c(c(-c3ccccc3)nn2-c2ccccc2)[C@@H]1c1ccc(C(F)(F)F)cc1 1865710965 MOTLAKPQYWPAJO-OAQYLSRUSA-N 458.443 5.776 50 10 JKGE CCc1nc(Nc2ccc(SC#N)cc2)cc(N2CCC(c3nc4c(s3)CCCC4)CC2)n1 1868277640 CKEFLCQDXPIFPK-UHFFFAOYSA-N 476.675 6.075 50 10 JKGE CC[C@H]1Cc2cc(OC)ccc2N(c2cc(Nc3ccc(SC#N)cc3)nc(-c3cccnc3)n2)C1 1868565750 NINIRKYVEDHYSU-IBGZPJMESA-N 494.624 6.584 50 10 JKGE CC(C)c1oc2cc(OCc3cccc(CCl)c3)ccc2c(=O)c1-c1ccc(Cl)c(Cl)c1 1871437457 ZAVQWSOLMJXTEQ-UHFFFAOYSA-N 487.810 8.208 50 10 JKGE C[C@@H](c1ccccc1)N1C[C@@H](/C(O)=C(\C#N)c2nc(-c3ccc4c(c3)CCCC4)cs2)CC1=O 1872745163 CKBQUROXNDDAGC-YRGJOJKVSA-N 469.610 6.091 50 10 JKGE CCc1ccc(OCCC/C(O)=C(\C#N)c2nc(-c3ccc(Br)cc3)cs2)cc1 1872746644 QVPFJXHBAMNFAW-XDOYNYLZSA-N 469.404 6.787 50 10 JKGE COc1ccc(-c2csc(/C(C#N)=C(\O)c3ccc(N4C(=O)c5ccccc5C4=O)cc3)n2)cc1F 1872752416 BEGZNTMWYJKYIA-GFMRDNFCSA-N 497.507 5.708 50 10 JKGE COc1ccc(-c2csc(/C(C#N)=C(\O)c3ccccc3C(=O)c3ccccc3)n2)c(C)c1C 1872753826 ORFNFFMDNWYGPJ-VYIQYICTSA-N 466.562 6.616 50 10 JKGE O=C(N[C@@H](CBr)[C@@H]1CC=CCC1)c1cc(Br)c(Br)s1 1885073707 UYGHITRWCCOZIX-SCZZXKLOSA-N 472.040 5.123 50 10 JKGE CC(C)(C)OC(=O)N[C@H](CBr)[C@@H]1CCC2(CCN(C(=O)OC(C)(C)C)CC2)C1 1885098371 YAGIHKHDOURCQT-HZPDHXFCSA-N 461.441 5.092 50 10 JKGE Clc1ccc(CN(Cc2ccccc2)[C@@H](CBr)C2CC2)c(Br)c1 1915176669 MGQWBGSXMGCQPP-IBGZPJMESA-N 457.637 6.278 50 10 JKGE CCC(F)(F)C(C)(C)[C@@H](Br)c1sc(Br)c(C)c1Br 1922906294 IEZFOZUUUPOYES-VIFPVBQESA-N 469.027 7.089 50 10 JKGE Fc1ccc(C[C@@H](Br)c2sc(Br)cc2Br)c(F)c1 1922945066 CEIHQSJNJCPUNF-MRVPVSSYSA-N 460.963 6.230 50 10 JKGE Fc1cccc(F)c1C[C@@H](Br)c1sc(Br)cc1Br 1922945176 DEMJATVOQUYFHU-SSDOTTSWSA-N 460.963 6.230 50 10 JKGE C[C@@]1([C@@H](Br)c2c(Br)sc(Br)c2Cl)CCOC1 1923061279 IXLSZPGEZOSWBO-OIBJUYFYSA-N 453.421 5.789 50 10 JKGE C[C@@H]([C@H](Br)c1c(Br)sc(Br)c1Cl)[C@H]1CCCO1 1923066876 WDVNOQGPCUZEBS-JKMUOGBPSA-N 467.448 6.178 50 10 JKGE CCc1cscc1[C@H](Br)c1c(Br)sc(Br)c1Cl 1923074708 QJVYJPOPSLYZKJ-QMMMGPOBSA-N 479.484 7.035 50 10 JKGE Cc1cc([C@@H](Cl)c2c(Br)sc(Br)c2Br)c(F)cc1F 1924599599 JRNVYGBYJYCGLA-SNVBAGLBSA-N 495.408 6.950 50 10 JKGE Cl[C@H](Cc1ncccc1Br)c1ccc(Br)cc1Br 1924859245 AJDIXNORSJSWLN-GFCCVEGCSA-N 454.387 5.892 50 10 JKGE FC(F)Oc1ccccc1[C@H](Br)c1c(Cl)sc(Br)c1Cl 1925601699 XKNDYBKIXLMZIR-QMMMGPOBSA-N 466.956 6.903 50 10 JKGE Cc1nc([C@@H](Br)c2sc(Cl)cc2Br)c(Br)s1 1980615458 QDPGARPZAVTGRI-ZCFIWIBFSA-N 466.445 6.176 50 10 JKGE Cl[C@H](c1c(Br)c(Br)cc(Br)c1Br)C1COC1 1995049283 WLQFQSZTRAWXPP-JTQLQIEISA-N 498.234 5.663 50 10 JKGE CCc1cc(Br)c(CNCCSSCCNC(=O)OC(C)(C)C)s1 2010827024 KYNYZJJHNZCGQW-UHFFFAOYSA-N 455.509 5.069 50 10 JKGE Cc1nc(C[C@@H](Br)c2scc(Br)c2Br)sc1C 2025982573 ZOSBKGLQAIEIMZ-SSDOTTSWSA-N 460.054 6.025 50 10 JKGE CCc1cc(Br)c([C@H](Cl)c2ccc(I)c(Cl)c2)s1 2029239857 RSBQDQRLUWUGFA-GFCCVEGCSA-N 476.004 6.659 50 10 JKGE CC1(C)CC2(CC([C@@H](Br)c3sc(Br)cc3Br)C2)C1 2039423834 HCFQZIDLTMUSBD-LLVKDONJSA-N 457.069 6.926 50 10 JKGE Cl[C@H](c1c(Br)sc(Br)c1Br)[C@H]1[C@H]2CCCCC[C@H]21 2048341139 YXALOONRNQXYQN-PJFCORBGSA-N 477.487 7.142 50 10 JKGE O=S(=O)(c1ccc(Cl)c(CBr)c1Cl)N(Cc1ccccc1)CC(F)F 2059292430 WYZWGOXAZNNQLX-UHFFFAOYSA-N 473.166 5.344 50 10 JKGE CN([C@@H](c1ccccc1)c1ccccc1P(c1ccccc1)c1ccccc1)[S@@](=O)C(C)(C)C 2080748389 YCLRTNBFAFWZQH-DODOAAEWSA-N 485.633 5.928 50 10 JKGE Cc1sc(Br)c([C@@H](Br)c2c(Cl)cccc2Br)c1C 2082870027 CZSMQMYXLUUXOP-GFCCVEGCSA-N 473.455 7.028 50 10 JKGE O=C(N[C@H]1CCCCC[C@H]1Br)c1c(Br)cccc1Br 2094088255 IZWGMQGHDNJORW-SKDRFNHKSA-N 454.000 5.038 50 10 JKGE Cc1cc(Cl)c(Br)cc1[C@H](Br)c1cc(F)cc(Br)c1 2137644872 ZZZGCSLKDQXHFN-CQSZACIVSA-N 471.389 6.797 50 10 JKGE Cc1c(Br)ccc([C@@H](Br)c2cc(Cl)ccc2Cl)c1Br 2138848670 BKTXJIKYQOLMDU-CQSZACIVSA-N 487.844 7.311 50 10 JKGE Clc1cc(C[C@]2(CBr)CCC=CCCC2)ccc1I 2142939906 KIBWALNRYBVTDT-INIZCTEOSA-N 453.589 6.389 50 10 JKGE O=C(NC[C@@H]1CCCC[C@@H](Br)C1)c1cc(Br)cc(Br)c1 2163745049 DHAFIMIZJQUBSG-ZYHUDNBSSA-N 468.027 5.285 50 10 JKGE Clc1ccc(Br)cc1CC(CBr)(CBr)C1CCCCC1 2166828207 XGPQJVJZMVNWJQ-UHFFFAOYSA-N 487.501 7.002 50 10 JKGE COc1ccc(C[C@H](Cl)c2cc(I)ccc2Br)cc1F 2168400088 DGXABPSVMSYOOV-ZDUSSCGKSA-N 469.519 5.724 50 10 JKGE CC[C@H](Br)[C@H]1CCCCN1C(=O)c1c(Br)cccc1Br 2170604099 LFPXHAQHPFPCKI-GXFFZTMASA-N 468.027 5.380 50 10 JKGE O=S(=O)(c1ccc(Cl)c(CBr)c1Cl)N(Cc1ccccc1)C[C@@H]1CCCO1 2179830562 MHQRWGVRICSPAF-HNNXBMFYSA-N 493.250 5.258 50 10 JKGE CC1(C)CC([C@@H](Br)c2c(Cl)sc(Br)c2Cl)CC(C)(C)C1 2193420227 LBUGDDGWMOWYAP-SNVBAGLBSA-N 463.106 8.106 50 10 JKGE CCCCCCCCC[C@H](Br)c1ccc(Br)c(C)c1Br 2203688785 VTRAIAQFOMCJOQ-INIZCTEOSA-N 469.099 8.097 50 10 JKGE CCOc1ccc(Br)cc1[C@@H](Cl)c1ccc(I)c(C)c1 2207101334 GBPSLHHJSDTLHZ-INIZCTEOSA-N 465.556 6.089 50 10 JKGE CCCC[C@@H](C)CC[C@@H](Br)c1cc(I)cc2c1OCC2 2207148630 UQFJGBAAJVFGMO-MLGOLLRUSA-N 451.186 6.269 50 10 JKGE Cc1sc([C@@H](Br)Cc2ccncc2Br)c(C)c1Br 2218967326 DFXNBWJNELOIRA-JTQLQIEISA-N 454.025 5.964 50 10 JKGE COc1sc([C@H](Br)c2sc(C)c(C)c2Br)cc1Br 2221828853 YTWLKSQKOCVKKF-JTQLQIEISA-N 475.065 6.444 50 10 JKGE Clc1ccc([C@@H](Br)Cc2ccc(Br)cc2Cl)c(Br)c1 2229149204 GNKKHSOJSURSAF-LBPRGKRZSA-N 487.844 7.197 50 10 JKGE Cc1ccc([C@@H](Br)c2c(Br)cc(Cl)c(Cl)c2Cl)cc1Cl 2232511104 IXUJFHUOPSYRFB-GFCCVEGCSA-N 477.838 7.855 50 10 JKGE Cc1cccc2nc(CCl)n(-c3ccc(Br)cc3I)c12 2240289115 KTJPHCWRVSBXNM-UHFFFAOYSA-N 461.528 5.440 50 10 JKGE CC1(C)[C@H]2CO[C@@]1([C@@H](Cl)c1c(Br)sc(Br)c1Br)C2 2260653962 DXBXJPIHEYSORX-XYZUUMPBSA-N 479.459 6.131 50 10 JKGE Brc1cc(Br)c([C@H](Br)c2ccc3scnc3c2)s1 2264032292 SBCPQYLELZCCPP-LLVKDONJSA-N 468.033 6.367 50 10 JKGE CCCOc1ccc([C@H](Br)c2cc(Br)co2)cc1Br 2270466524 ZCOIMACQWBUPDI-AWEZNQCLSA-N 452.968 6.078 50 10 JKGE Cc1cc([C@@H](Cl)c2c(F)cc(Br)c(F)c2Br)sc1Cl 2272847681 OTBRDSFMXVNHEI-SNVBAGLBSA-N 450.957 6.841 50 10 JKGE Fc1cc([C@H](Br)Cc2cc(Cl)cc(Cl)c2)c(Cl)cc1Br 2282967516 PHSICIHSYYEMPL-LLVKDONJSA-N 461.383 7.227 50 10 JKGE COc1ccc([C@@H](Br)C(C)(C)C2CCCCC2)cc1I 2284998760 MPRXUMMIUXDWLG-MRXNPFEDSA-N 451.186 6.342 50 10 JKGE Fc1cccc(C[C@H](Br)c2c(F)cc(Br)c(F)c2Br)c1 2288493358 RKKZPNKNUBFMAH-VIFPVBQESA-N 472.924 6.308 50 10 JKGE Cc1ccc(N2C(=O)[C@H](Cc3ccccc3C)SC2=C(C#N)C(=O)Nc2ccc(Cl)cc2)cc1 2293039156 JRXYBCVCCYDMTE-DEOSSOPVSA-N 488.012 6.022 50 10 JKGE Cc1c(C=C(C#N)C(=O)Nc2cccc(Cl)c2)c2ccccc2n1Cc1ccccc1Cl 2294146981 PETFVDKXHHGXNE-UHFFFAOYSA-N 460.364 6.851 50 10 JKGE COc1ccc(Cl)cc1[C@H](Br)Cc1cc(Br)cc(Br)c1 2295273875 CXDWZIRJWMFVFO-CQSZACIVSA-N 483.425 6.552 50 10 JKGE COc1c(C)cc(C)cc1[C@H](Br)c1cc(Br)cc(Br)c1 2295300815 DEIYLYCQVGCCGR-OAHLLOKOSA-N 463.007 6.321 50 10 JKGE COc1c(Br)cc(Cl)cc1[C@H](Cl)Cc1ccccc1I 2295371840 BZQDNLYQBBUJDI-CYBMUJFWSA-N 485.974 6.238 50 10 JKGE Cc1cccc(C[C@@H]2SC(=C(C#N)C(=O)Nc3cccc4ccccc34)N(c3ccccc3)C2=O)c1 2295993290 FZLRXLQPRYFMOR-MHZLTWQESA-N 489.600 6.213 50 10 JKGE COc1ccc(-c2nn(-c3ccccc3)cc2C=C(C#N)c2nc(O)c3ccccc3n2)cc1F 2296721709 CFDAAAWDIYACJH-UHFFFAOYSA-N 463.472 5.400 50 10 JKGE Cc1ccc(-c2csc(C(C#N)=Cc3ccc(OCC(=O)c4cccc([N+](=O)[O-])c4)cc3)n2)cc1C 2296801392 DWYOTIZFGBYXJF-UHFFFAOYSA-N 495.560 6.661 50 10 JKGE CCOC(=O)Nc1sc(C(C#N)=Cc2ccc(C(=O)OC)cc2)nc1-c1ccc(Cl)cc1 2297497741 BCPHRKLSWNNAGG-UHFFFAOYSA-N 467.934 5.883 50 10 JKGE CC(F)(F)CCC[C@@H](Br)c1ccc(OCc2ccccc2)cc1Br 2299491277 DMIXTOQCWBSQRB-QGZVFWFLSA-N 462.172 7.290 50 10 JKGE Brc1ccc(OCc2ccccc2)c([C@@H](Br)CC[C@@H]2CCCO2)c1 2299534503 DQZUUPREFNRWMP-HKUYNNGSSA-N 454.202 6.423 50 10 JKGE Clc1cccc(C[C@H](Br)c2sc(Cl)cc2I)c1 2301084358 RYKHETZRRNEOAI-VIFPVBQESA-N 461.977 6.338 50 10 JKGE Cc1ccc(Cl)cc1[C@H](Br)c1sc(Cl)cc1I 2301084533 UVHZDDICUKQRCN-NSHDSACASA-N 461.977 6.452 50 10 JKGE O=C(N[C@H](CCBr)COCc1ccccc1)c1ccc(Cl)c(Br)c1 2303539236 NGJUVHUTUZFOEJ-OAHLLOKOSA-N 475.608 5.203 50 10 JKGE CC1(C)[C@H]2CO[C@]1([C@@H](Cl)c1c(Br)sc(Br)c1Br)C2 2313351310 DXBXJPIHEYSORX-CQZAFVHCSA-N 479.459 6.131 50 10 JKGE Cc1cccc(NC(=O)C(C#N)=Cc2ccc(OCc3cccc4ccccc34)c(Br)c2)c1 2313511147 QHDDKBDUKAHHIW-UHFFFAOYSA-N 497.392 7.035 50 10 JKGE CCc1ccc(NC(=O)C(C#N)=Cc2ccc(OCc3cccc4ccccc34)c(OC)c2)cc1 2313511454 WLIPHIWNURKTDZ-UHFFFAOYSA-N 462.549 6.535 50 10 JKGE C=CCOc1c(Br)cc(C=C(C#N)C(=O)Nc2cccc(C)c2C)cc1OCC 2313518230 XDMJEIGTONTHBI-UHFFFAOYSA-N 455.352 5.575 50 10 JKGE CCOc1cc(C=C(C#N)C(=O)N(C)C)cc(Br)c1OCc1cccc2ccccc12 2313568749 WRWRGVWFIXYXLB-UHFFFAOYSA-N 479.374 5.575 50 10 JKGE COC(=O)c1cccc(Cn2cc(C=C(C#N)C(=O)Nc3ccc(F)cc3)c3ccccc32)c1 2313630266 CNDNUGWLGVLNJE-UHFFFAOYSA-N 453.473 5.161 50 10 JKGE Cc1cccc(Cn2cc(C=C(C#N)C(=O)Nc3ccc(Cl)cc3Cl)c3ccccc32)c1 2313630866 GTLOZZUMACIZQV-UHFFFAOYSA-N 460.364 6.851 50 10 JKGE Cc1ccccc1NC(=O)C(C#N)=Cc1cn(Cc2ccc(Br)cc2)c2ccccc12 2313667741 UPUPBQCSVIXHNX-UHFFFAOYSA-N 470.370 6.306 50 10 JKGE N#CC(=Cc1ccc(OC(=O)c2cccc3ccccc23)cc1)C(=O)Nc1cc([N+](=O)[O-])ccc1Cl 2313724719 WRGVAVQFAQQBTA-UHFFFAOYSA-N 497.894 6.166 50 10 JKGE Cl[C@H](Cc1cccc(Br)c1)c1cc(Br)ccc1OCc1ccccc1 2314502760 LQDJQVBOFROCQW-HXUWFJFHSA-N 480.627 7.313 50 10 JKGE N#CC(=Cc1ccc(-c2cccc(C(F)(F)F)c2)o1)C(=O)Nc1cc(Cl)ccc1Cl 2314572351 YZKRENBLSJHIHM-UHFFFAOYSA-N 451.231 6.818 50 10 JKGE Cn1cnc(Br)c1[C@H](Br)c1cc(Cl)c(Br)cc1F 2315635384 IXLDIFATYLZBHK-SECBINFHSA-N 461.354 5.222 50 10 JKGE C[C@H](CCCCCI)NCc1ccc(Cl)cc1I 2318558358 UHFFZJZIEYUTAX-LLVKDONJSA-N 491.582 5.418 50 10 JKGE Cc1scc([C@@H](Cl)c2cc(Br)c(Br)cc2F)c1Br 2320487606 ZHDFTDSHSBYPMH-LBPRGKRZSA-N 477.418 6.811 50 10 JKGE Cc1cc(Br)c([C@@H](Br)[C@H]2C[C@@H]3O[C@H]2[C@H]2C[C@@H]32)cc1Br 2328641383 ARJCADOVIKTHOO-SEYIMHHGSA-N 450.996 5.379 50 10 JKGE COc1ccc(Cl)cc1N1C[C@H](C(O)=C(C#N)c2nc(-c3ccc([N+](=O)[O-])cc3)cs2)CC1=O 2331281118 KAAAORGROCXYPZ-CQSZACIVSA-N 496.932 5.226 50 10 JKGE CC[C@H](C)[C@@H](C(O)=C(C#N)c1nc(-c2ccc(C)cc2)cs1)N1C(=O)c2ccccc2C1=O 2331313357 HBHFFEWINYRNCN-AOMKIAJQSA-N 457.555 5.622 50 10 JKGE CC(C)(C)c1ccc(-c2csc(C(C#N)=C(O)Cc3ccc(OCc4ccccc4)cc3)n2)cc1 2331331796 SWOJEYNNQYYKRF-UHFFFAOYSA-N 480.633 7.722 50 10 JKGE COc1ccc(-c2csc(C(C#N)=C(O)c3cc([N+](=O)[O-])c(C)c([N+](=O)[O-])c3)n2)c(C)c1C 2331362822 NAHQIUBEOHVUPY-UHFFFAOYSA-N 466.475 5.510 50 10 JKGE COc1cc(-c2csc(C(C#N)=C(O)COc3ccc(Cl)cc3Cl)n2)c(OC)cc1Cl 2331376937 MBIKVVKPKUIUJU-UHFFFAOYSA-N 497.787 6.659 50 10 JKGE COc1cc(OC)c(-c2csc(C(C#N)=C(O)[C@H](C)Oc3ccc(C(C)C)cc3)n2)cc1Cl 2331378657 MRBWHYGTPUPRCF-HNNXBMFYSA-N 485.005 6.864 50 10 JKGE COc1c(Cl)cc(-c2csc(C(C#N)=C(O)[C@@H](C)Oc3ccccc3C(C)C)n2)cc1Cl 2331397697 VQOJWXGTJPSOSA-CQSZACIVSA-N 489.424 7.509 50 10 JKGE COc1cc(C=CC(O)=C(C#N)c2nc(-c3cc(Cl)ccc3Cl)cs2)cc(OC)c1OC 2331404491 MCCRJRUVDRNGKU-UHFFFAOYSA-N 489.380 6.649 50 10 JKGE COc1ccc(-c2csc(C(C#N)=Cc3ccc(OCc4ccc(C)cc4)c(OC)c3)n2)cc1OC 2331417261 AOXTYAUAJKTCSP-UHFFFAOYSA-N 498.604 6.788 50 10 JKGE CCOc1c(Br)cc(C=C(C#N)c2nc(-c3ccc4c(c3)OCCO4)cs2)cc1OC 2331452132 KYEUFPVUDNPPOZ-UHFFFAOYSA-N 499.386 5.815 50 10 JKGE CCCOc1c(C=C(C#N)c2nc(-c3cc(C)c(Cl)cc3OC)cs2)cccc1OC 2331474096 DCGVXHPRMSVMHJ-UHFFFAOYSA-N 454.979 6.642 50 10 JKGE Cc1ccccc1P(N[C@H]1CCCC[C@H]1NC(=O)NCc1ccccc1)c1ccccc1C 2333233172 WOQUTUYXZNXIBU-RPBOFIJWSA-N 459.574 5.051 50 10 JKGE Cc1cc(Br)c([C@@H](Br)[C@@H]2CC[C@@H]3C[C@@H]3C2)c(C)c1Br 2333708792 OZNSXCBUQVQUCQ-QHSOUUPTSA-N 451.040 6.701 50 10 JKGE CC1(C)[C@H]2CC[C@@H](C2)[C@@H]1[C@@H](Br)c1ccc(OCc2ccccc2)cc1Br 2336052883 FBIDBBIDFQMMCO-QPAOKJHLSA-N 478.268 7.536 50 10 JKGE CC1(C)COC[C@@H]1[C@@H](Br)c1c(Br)cc(Cl)c(Cl)c1Cl 2336199840 GHEPVLXQFNHJGI-LHLIQPBNSA-N 451.413 6.518 50 10 JKGE Clc1cc(I)c([C@@H](Br)[C@@H]2C[C@@H]3CCCCCC[C@@H]32)s1 2338560442 LIUUQCFMSPBVGX-DYNIEEOBSA-N 473.645 7.049 50 10 JKGE Brc1ccc([C@H](Br)[C@H]2C[C@H]3CCC[C@H]2CC3)c(Br)c1 2338744368 NHMKFOYSVWKSES-KHJVZFFJSA-N 451.040 6.864 50 10 JKGE Cc1cc(Br)c(F)c(Br)c1[C@H](Br)C1(C(F)(F)F)CC1 2339681483 IQTNJZQUTULFAV-JTQLQIEISA-N 468.908 6.438 50 10 JKGE COc1c(Br)cc(C)c([C@H](Cl)c2csnc2Br)c1Br 2339683849 HUZRHICRRALZFG-SNVBAGLBSA-N 490.442 6.076 50 10 JKGE COc1c(Br)cc(C)c([C@H](Br)[C@@H](C)CC(C)C)c1Br 2339692140 VGDXLVWJUZQIPI-GXFFZTMASA-N 457.044 6.647 50 10 JKGE COc1cc(F)c(Br)cc1[C@@H](Br)c1csc(C)c1Br 2343559199 UYEWSBQTJYFDCJ-CYBMUJFWSA-N 472.999 6.214 50 10 JKGE C[C@@H]1[C@@H](Cl)C[C@H]2CC[C@H]1N2Cc1ccc(I)c(Br)c1 2349825365 CTEARMACMPRCKC-ZOUAZZMLSA-N 454.577 5.034 50 10 JKGE C[C@H]1CN(Cc2ccc(I)c(Br)c2)CC[C@H]1CCCl 2349860092 HLSBSJGZJVIHRL-WCQYABFASA-N 456.593 5.141 50 10 JKGE Fc1cccc(Cl)c1[C@H](Br)c1c(F)cc(Cl)c(Br)c1Cl 2360494861 XJJGDTMCCXAHSF-LBPRGKRZSA-N 465.346 7.172 50 10 JKGE Cc1cc(I)c(O[C@@H]2C[C@H](Br)[C@]23CCC[C@@H]3C)cc1Cl 2361703291 MRDCKQIIFDXSMD-MZORAGNBSA-N 469.588 5.974 50 10 JKGE CCn1nc(C)c(CBr)c1OCc1cc(Br)cc(Br)c1 2362210590 KZLJRDMAPJBONL-UHFFFAOYSA-N 466.999 5.210 50 10 JKGE CCCc1sc(Br)cc1[C@@H](Br)c1cc2sc(C)cc2s1 2363259868 BCSCIIRPWJQEJE-OAHLLOKOSA-N 450.286 7.532 50 10 JKGE COc1csc([C@H](Br)c2c(C)cc(Br)c(OC)c2Br)c1 2365189786 YNHYBMYXGYRIHL-LBPRGKRZSA-N 485.035 6.083 50 10 JKGE FC(F)(F)[C@@H]1[C@@H](Br)CCCN1Cc1ccc(Cl)cc1I 2370306061 QSNRITPZNLPMKB-JQWIXIFHSA-N 482.509 5.235 50 10 JKGE CC(C)CO[C@@H]1[C@@H](Br)C[C@H]1OCc1cc(I)ccc1Cl 2380346755 QHZWUNRUGDZMDF-NWANDNLSSA-N 473.576 5.038 50 10 JKGE CCc1cc(Br)c(OC)c([C@@H](Br)c2nn(C)cc2Br)c1 2381254801 BNNOEPJPTWKMLY-GFCCVEGCSA-N 466.999 5.000 50 10 JKGE C=CCOc1ccccc1/C=C(/C#N)C(=O)Nc1ncc(Cc2ccc(Cl)cc2Cl)s1 2553456 WQQOZAWIEHFUBB-YVLHZVERSA-N 470.381 6.151 50 10 JKGE C/C(=N/NC(=O)[C@@H](C)Nc1ccc(I)c(C)c1)c1ccc2ccccc2c1 20352475 LROLSFAMJMEQSR-MKCIMWKDSA-N 471.342 5.094 50 10 JKGE N#CC1=C(N)Oc2[nH]nc(-c3ccc(Cl)c(Cl)c3)c2[C@@H]1c1cccc(C(F)(F)F)c1 27548074 XEUIEZODKGSYKB-OAHLLOKOSA-N 451.235 5.620 50 10 JKGE COc1ccc(C)cc1N(C(=O)CCl)[C@H](C(=O)N[C@@H]1CCCC[C@@H]1C)c1ccc(Cl)cc1 33910366 WUOCNUYIAKWAOU-IQOKHDRSSA-N 477.432 5.665 50 10 JKGE CCOC(=O)c1ccc(-c2ccc(/C=C3/C(=O)N(C4CCCCC4)C(=O)C(C#N)=C3C)o2)cc1 38608073 UUOQDTAHQYPTRK-PXLXIMEGSA-N 458.514 5.048 50 10 JKGE Cc1ccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)[C@@H](C)Oc4ccc(C(C)C)cc4)ccc32)cc1 38649292 NKCSOJYZVCDISD-XHCCPWGMSA-N 468.553 5.710 50 10 JKGE CCCCOc1ccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4ccc(OCCC)cc4)ccc32)cc1 38650816 XXMNKDQTTHWQDX-NDEPHWFRSA-N 498.579 6.092 50 10 JKGE CCCCOc1ccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4ccc(OC(C)C)cc4)ccc32)cc1 38650821 BTLAWYGPDUTDOX-MUUNZHRXSA-N 498.579 6.090 50 10 JKGE COc1ccc(Br)cc1[C@H]1C(C#N)=C(N)Oc2cc(OC(=O)c3ccc(C)cc3)ccc21 38660663 UMCQFRQPVJQNEA-QHCPKHFHSA-N 491.341 5.204 50 10 JKGE N#CC1=C(N)Oc2cc(OC(=O)c3cccc(Cl)c3)ccc2[C@@H]1c1ccccc1Br 38678876 XJQBRGWJIDNDRY-NRFANRHFSA-N 481.733 5.540 50 10 JKGE CCCCOc1cccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)COc4cccc(C)c4)ccc32)c1 38685147 YMZWQSANUVHGKE-NDEPHWFRSA-N 484.552 5.377 50 10 JKGE COc1ccc(-c2nn(-c3ccccc3)cc2/C=C(\C#N)C(=O)Nc2ccccc2Cl)c(C)c1 39983470 FWADFKCRJIIOHH-XDJHFCHBSA-N 468.944 6.055 50 10 JKGE CCCCOc1ccc(/C=C2/C(=O)N(Cc3ccc(OC)cc3)C(=O)C(C#N)=C2C)cc1OCC 40514697 ZGLFAJIBYVZCNG-HZHRSRAPSA-N 474.557 5.065 50 10 JKGE Cc1ccc(C(=O)N/N=C2\CCCc3oc(C(=O)Oc4cccc5ccccc45)c(C)c32)cc1 40804762 QBZLTBRECIDDJD-QUPMIFSKSA-N 452.510 5.739 50 10 JKGE CCCOc1ccc(/C=N/NC(=O)CCCOc2ccc(CC)cc2Br)cc1OC 40959384 HWLUGAFZIRBOJE-PCLIKHOPSA-N 477.399 5.118 50 10 JKGE C=CCc1cc(/C=N\NC(=O)CC[C@H](O)c2ccccc2)cc(OCC)c1OCc1cccc(F)c1 58892225 CVJTZTYCPBDNTE-ZMIIAFDNSA-N 490.575 5.496 50 10 JKGE CCOc1cc(/C=C(\C#N)C(=O)NCc2ccccc2)ccc1OCc1ccc(Cl)c(Cl)c1 59272150 WZLYIMXZDZBDJO-CIAFOILYSA-N 481.379 6.194 50 10 JKGE CCCCC1CCC(C(=O)Nc2ccc(C[C@H](Br)CC(C)C)cc2OCC)CC1 71436863 VIUQEZGVBOZYEH-KITAHSCOSA-N 466.504 7.373 50 10 JKGE C[C@@H](Cl)c1nc2cc(Br)c(F)cc2n1-c1ccccc1I 97398511 AGXCBQHYXFMLDZ-MRVPVSSYSA-N 479.518 5.832 50 10 JKGE CCCCCCCOc1ccc(/C=N/NC(=O)c2ccccc2NC(=O)c2ccccc2F)cc1 100988552 VMOPSKDTUHCYCH-TWKHWXDSSA-N 475.564 6.191 50 10 JKGE CCCCCCCCCCCCCCCCNc1ncnc(NNC(=O)c2ccc(C)cc2)c1N 101531779 QOXURRMYKSNHCG-UHFFFAOYSA-N 482.717 7.017 50 10 JKGE Fc1ccc(C(CBr)(CBr)Cc2ccccc2Br)cc1 118877420 JWBIOZCDXSBFRJ-UHFFFAOYSA-N 464.998 5.859 50 10 JKGE COc1cc(Cl)c([C@@H](Cl)c2cc(Br)ccc2Br)cc1Cl 161120686 ZSYAAKWEXOGACG-AWEZNQCLSA-N 459.392 6.855 50 10 JKGE CCOc1ccc2ccccc2c1/C=N/NC(=O)c1ccc2[nH]c(-c3ccccc3O)nc2c1 169926466 DTYMTVSXAFMRFU-LQKURTRISA-N 450.498 5.251 50 10 JKGE O=c1[nH]c2cc(Br)c([C@H](Br)c3cccc(Br)c3Cl)cc2[nH]1 228453116 PRJMLUZQDGKLDW-GFCCVEGCSA-N 495.396 5.519 50 10 JKGE CCOc1ccc([C@H](Br)c2ccc(Cl)c(Br)c2)cc1Br 233791230 NPYACKOHQMGZJS-OAHLLOKOSA-N 483.425 6.748 50 10 JKGE Clc1sc([C@@H](Cl)c2cc(Br)cc(Br)c2)cc1Br 236030393 QPYMBUQLFQKRTI-JTQLQIEISA-N 479.846 7.017 50 10 JKGE Clc1cc(Br)cc([C@H](Br)c2cc(Cl)c(Br)s2)c1 236068142 OFPRZKCIPOHHJF-JTQLQIEISA-N 479.846 7.064 50 10 JKGE O=C(NN=Cc1cn(Cc2ccc(Cl)cc2)nc1-c1ccccc1)c1ccc(Br)o1 252620901 MOQKNDVQAFBQLI-UHFFFAOYSA-N 483.753 5.371 50 10 JKGE CC(=NNC(=O)Cc1ccc([N+](=O)[O-])cc1)c1cccc(NC(=O)c2ccc(Cl)cc2Cl)c1 252631345 VJTPLVNCZLWCHB-UHFFFAOYSA-N 485.327 5.237 50 10 JKGE CC(=O)Nc1ccc(C(C)=NNC(=O)c2cc(-c3cccc(OC(C)C)c3)nc3ccccc23)cc1 252632037 VOUWLIWDPCFXGM-UHFFFAOYSA-N 480.568 5.801 50 10 JKGE CC12C[C@@H]3C[C@H](C1)CC([C@H](Br)c1cc(Br)c(Br)s1)(C3)C2 252799757 TZMNKLAWZKIEFO-DAAWTKGESA-N 483.107 7.316 50 10 JKGE CCCCCCCCCCCCCCCCCC(=O)NN=C/C=C(/CCCCCC)c1ccccc1 254377610 DIHFWMJIGWQOFJ-MEEKKACMSA-N 496.824 10.404 50 10 JKGE Brc1cccc(C[C@@H](Br)c2cc3c(cc2Br)OCC3)c1 308422705 ZYVSDKBSUXJEPL-CQSZACIVSA-N 460.991 5.825 50 10 JKGE COc1cc(Cl)c([C@@H](Br)c2cccc(OCc3ccccc3)c2)cc1Cl 311900117 ATDWCCDNJGAHRL-NRFANRHFSA-N 452.175 7.065 50 10 JKGE Cc1cccc([C@H]2CN(Cc3ccccc3)C[C@H]2CI)c1Br 382698349 BPQJGTCXAMKWRK-AEFFLSMTSA-N 470.192 5.408 50 10 JKGE Cc1ccc(Cl)cc1[C@@H](Br)c1cc(I)cc2c1OCC2 383237163 SCFAOODXIOZJHO-OAHLLOKOSA-N 463.540 5.672 50 10 JKGE C[C@@H]([C@@H]1CCN(Cc2ccccc2)C1)n1c(CCl)nc2cc(I)c(F)cc21 383367101 HGPHYQGWTIUVLS-GOEBONIOSA-N 497.783 5.602 50 10 JKGE C[C@H](Cl)c1nc2cc(I)ccc2n1Cc1ccsc1Br 388534874 NEFKVJGOXISBGP-QMMMGPOBSA-N 481.584 5.813 50 10 JKGE ClCCc1nc2ccc(Br)cc2n1CCCN(Cc1ccccc1)Cc1ccccc1 390674317 USOZDPIVKJVEFX-UHFFFAOYSA-N 496.880 6.673 50 10 JKGE Brc1cc([C@@H](Br)c2ccc3sccc3c2)sc1Br 395427338 OUJYYHDMNSGSMQ-LBPRGKRZSA-N 467.045 6.972 50 10 JKGE CCOC(=O)[C@H]1[C](n2c(C)cc(/C=C(/C#N)C(=O)Nc3ccco3)c2C)SC2=C1CCCC2 585087419 WSQYSNFYMONTDR-ZAVKOYKVSA-N 464.567 5.335 50 10 JKGE CC(C)(C)[Si](C)(C)OCCc1ccccc1[C@H]1CN(CCO[Si](C)(C)C(C)(C)C)CCO1 616646240 JJJHIGFZCOTDIM-XMMPIXPASA-N 479.854 6.646 50 10 JKGE Fc1ccc([C@H](Br)c2c(F)cc(Br)cc2F)c(F)c1Br 691513061 OTIJKIZCFNEYMX-NSHDSACASA-N 476.887 6.252 50 10 JKGE C[C@H]1CCCN(C(=O)c2cc(Br)cc(Br)c2)[C@@H]1CCBr 697202304 XOGCPDLCKYHNSE-IINYFYTJSA-N 468.027 5.237 50 10 JKGE Clc1cc([C@H](Br)c2scc(Br)c2Br)c(Cl)s1 705411680 ZYTGFDKYSXJEJV-LURJTMIESA-N 485.875 7.126 50 10 JKGE Cc1ccc([C@@H](Br)c2c(F)cccc2Br)c(C)c1Br 719539443 TUBQIDWVNOPOFK-OAHLLOKOSA-N 450.971 6.452 50 10 JKGE C[C@H](c1ccncc1)[C@@H](Br)c1ccc(I)c(Br)c1 721580163 TUEPWEKRTALZBU-YMTOWFKASA-N 480.969 5.688 50 10 JKGE CCO[C@@H]1CCC[C@@H](O[C@@H](CI)c2ccccc2Br)C1 721644298 WZDIBTGZNFQVDA-IOASZLSFSA-N 453.158 5.290 50 10 JKGE Cc1cc(Br)cc([C@@H](Br)c2sc(C)c(Br)c2C)c1 724929073 UOAGZVNSJITYAL-CYBMUJFWSA-N 453.037 6.683 50 10 JKGE O=C(Cl)/C=C\c1ccc(OCc2ccc(F)cc2Cl)c(I)c1 725398347 DSUYZVYYWWIQNW-KXFIGUGUSA-N 451.062 5.441 50 10 JKGE CC(=NNC(=O)[C@@H](C)Sc1ccc(Cl)cc1)c1cccc(NC(=O)c2cccc(Cl)c2)c1 1084018230 YSIOOVQNIQOGKU-MRXNPFEDSA-N 486.424 6.267 50 10 JKGE Cc1ccc(Cl)cc1-n1c(C)cc(/C=C(\C#N)C(=O)N2CCN(c3ccccc3)CC2)c1C 1084610945 RYRQOXMBKNDDHG-XQNSMLJCSA-N 458.993 5.312 50 10 JKGE Cc1cc(OC(=O)c2oc3c(c2C)C(=NNC(=O)c2cccc([N+](=O)[O-])c2)CCC3)cc(C)c1Cl 1772746294 UHZFUNFMERPMRZ-UHFFFAOYSA-N 495.919 5.456 50 10 JKGE Cc1c(C(=O)Nc2cccc(Cl)c2Cl)oc2c1C(=NNC(=O)c1ccccn1)CCC2 1772748005 XCHWZGCIAPJLBB-UHFFFAOYSA-N 457.317 5.013 50 10 JKGE Cc1ccc(NC(=O)c2oc3c(c2C)C(=NNC(=O)c2ccc4ccccc4n2)CCC3)cc1C 1772751432 QXEKLTJHMXCNSJ-UHFFFAOYSA-N 466.541 5.476 50 10 JKGE CCc1nn(Cc2ccccc2Cl)c2c1[C@@H](c1ccc(Cl)c(Cl)c1)C(C#N)=C(N)O2 1865685442 IVVSJDKBDZQGMV-IBGZPJMESA-N 459.764 5.672 50 10 JKGE CCCCOc1ccc([C@H]2C(C#N)=C(N)Oc3c2c(C)nn3-c2cccc3ccccc23)cc1OCC 1865687443 RJQQQWBWFOGPEW-NDEPHWFRSA-N 494.595 6.130 50 10 JKGE CCCCOc1ccc([C@@H]2C(C#N)=C(N)Oc3c2c(CC)nn3-c2ccc(Br)cc2)cc1 1865690682 YSOIJDNEAIULQD-JOCHJYFZSA-N 493.405 5.594 50 10 JKGE CCc1nn(C)c2c1[C@@H](c1ccc(OCc3ccc(Cl)cc3Cl)cc1)C(C#N)=C(N)O2 1865701522 XLCKREDCTHZOIW-FQEVSTJZSA-N 455.345 5.086 50 10 JKGE Cc1nn(-c2cccc(Cl)c2)c2c1[C@H](c1ccc(OC(=O)c3ccccc3)cc1)C(C#N)=C(N)O2 1865704755 CZVWKVPJWZIJLY-XMMPIXPASA-N 482.927 5.272 50 10 JKGE CCOc1cccc2cc(-c3cc(=O)oc4cc(OCc5ccc(CCl)cc5)ccc34)c(=O)oc12 1871437054 XEEQYOMXOINAAH-UHFFFAOYSA-N 488.923 6.283 50 10 JKGE COc1ccc(/C=C(C(/O)=C(\C#N)c2nc(-c3cccc(OC)c3)cs2)\c2ccccc2)cc1 1872744542 XLTJWMXCVVIYHX-WQKWTJNBSA-N 466.562 6.861 50 10 JKGE Cc1ccc(-c2csc(/C(C#N)=C(\O)[C@@H](CC(C)C)N3C(=O)c4ccccc4C3=O)n2)cc1 1872749491 UAKGBPSSPMYQHZ-LAGVDGIJSA-N 457.555 5.622 50 10 JKGE CCOC(=O)Oc1ccc(/C(O)=C(\C#N)c2nc(-c3ccc4c(c3)OCCO4)cs2)cc1 1872751247 YNCDUPRYDPQKGY-FXBPSFAMSA-N 450.472 5.066 50 10 JKGE N#C/C(=C\c1ccccc1OCc1ccc(Cl)cc1)c1nc(-c2ccc(Cl)cc2Cl)cs1 1872781753 OPYXGMRTQWOMEH-WOJGMQOQSA-N 497.834 8.413 50 10 JKGE CCOc1ccc(OCC)c(-c2csc(/C(C#N)=C/c3cccc(OC)c3OCC)n2)c1 1872792504 CGNRSKNWWIZHBT-QGOAFFKASA-N 450.560 6.079 50 10 JKGE O=C(N[C@H](CBr)[C@@H]1CC=CCC1)c1csc(Br)c1Br 1885064689 OKMHSODPPGWUHB-PSASIEDQSA-N 472.040 5.123 50 10 JKGE Cl[C@H](c1ccc(OCc2ccccc2)cc1Br)c1occc1Br 1899860645 HGUUPDFMHGILBB-QGZVFWFLSA-N 456.561 6.712 50 10 JKGE BrC[C@@H]1CC2(CCCC2)CN1Cc1ccc(Br)cc1Br 1912778309 AYIYAVMZGHDAMN-AWEZNQCLSA-N 466.055 5.741 50 10 JKGE CC(C)[C@H](CBr)N(Cc1ccccc1)C(=O)c1ccc(F)cc1Br 1915298440 SYZDHEWMOOTLRW-SFHVURJKSA-N 457.181 5.650 50 10 JKGE Clc1ccc(C[C@H](Br)c2ccc(Br)cc2Br)nc1 1918239740 PIVSDOXIDCRAMW-ZDUSSCGKSA-N 454.387 5.939 50 10 JKGE Clc1c(Br)sc(Br)c1[C@H](Cl)c1ccccc1Br 1923055214 QMJZUYRBIPXXAQ-MRVPVSSYSA-N 479.846 7.017 50 10 JKGE C[C@@H](CC(C)(C)C)[C@@H](Br)c1c(Br)sc(Br)c1Cl 1923063505 ZQDDHYWRWVKOBE-POYBYMJQSA-N 467.492 7.435 50 10 JKGE CC(C)(C)OC1CC([C@H](Br)c2c(Br)sc(Br)c2Cl)C1 1923073995 FKTHSWVWTURVDA-IEIXJENWSA-N 495.502 6.956 50 10 JKGE CC1(C[C@@H](Br)c2c(Br)sc(Br)c2Br)CC1 1924604517 CTPRZVXBVJPMKO-RXMQYKEDSA-N 481.873 6.662 50 10 JKGE C[C@H]1Cc2cc(Br)cc([C@H](Br)c3csnc3Br)c2O1 1925265105 VTNDZVICXIOFCY-KGFZYKRKSA-N 468.008 5.476 50 10 JKGE Cc1cc(Br)sc1[C@@H](Cl)c1cccc(Br)c1Br 1950215074 MQHUHAIASMGXDZ-NSHDSACASA-N 459.428 6.672 50 10 JKGE CC[C@H](C)[C@@H](CI)NCc1cc(Br)ccc1Br 2023044198 OTDRNDUDLHWWEX-TVQRCGJNSA-N 475.006 5.151 50 10 JKGE Cc1cc(C(=O)N(Cc2ccccc2)[C@@H](CCl)C(C)C)ccc1I 2026130420 GRYWMPWIKHGKJE-IBGZPJMESA-N 455.767 5.505 50 10 JKGE Cc1cc([C@@H](Br)c2cc(C)c(Br)s2)ccc1I 2026134305 ZNWBBDRTPPPLQJ-GFCCVEGCSA-N 486.010 6.216 50 10 JKGE CCc1sc(Br)cc1[C@@H](Br)c1cc(Br)ccc1C 2030224882 ZPWJFZBZJBYWPM-AWEZNQCLSA-N 453.037 6.628 50 10 JKGE CN(C[C@H]1CCN(Cc2ccccc2)C1)c1c(CBr)ccc(Br)c1Cl 2036840780 UUMLYPSQHUVDLO-MRXNPFEDSA-N 486.679 5.956 50 10 JKGE Cc1c(Br)sc([C@@H](Br)[C@H]2CC23CCCCC3)c1Br 2039005324 HOROWUDRZHNGAN-KOLCDFICSA-N 457.069 6.988 50 10 JKGE CC1(C)C[C@@H](C[C@@H](Cl)c2c(Br)sc(Br)c2Br)CO1 2041482296 JYBKKRBDOUIPIX-RNFRBKRXSA-N 481.475 6.521 50 10 JKGE Fc1c(Cl)cccc1C[C@H](Br)c1scc(Br)c1Br 2050548022 AGIUBTMSYHYRNL-ZETCQYMHSA-N 477.418 6.744 50 10 JKGE Cc1sc(CBr)cc1S(=O)(=O)N(Cc1ccccc1)Cc1cccs1 2059285471 ZYSLEYLQXFRTHL-UHFFFAOYSA-N 456.452 5.404 50 10 JKGE FC(F)([C@H]1CCOC1)[C@@H](Br)c1c(Br)sc(Br)c1Cl 2065536776 USXCHZODQOVABX-FFWSUHOLSA-N 489.401 6.034 50 10 JKGE Cl[C@@H](c1cc2sccc2s1)c1cc(Br)ccc1I 2084766268 CZOHDXQYOLJIDH-CYBMUJFWSA-N 469.594 6.658 50 10 JKGE CC1(C)CCN(Cc2cccc(Br)c2Br)C[C@@H]1CBr 2092330280 HBWPXAOGIHFMKB-LBPRGKRZSA-N 454.044 5.455 50 10 JKGE COc1ccc(C[C@H](Br)c2scc(Br)c2Br)cc1F 2112118060 VGLIBLLCODRDAG-QMMMGPOBSA-N 472.999 6.100 50 10 JKGE Cc1cc([C@H](Br)c2c(Cl)cccc2Br)c(C)cc1Br 2113159998 ZYBBUUAEUCHCPW-HNNXBMFYSA-N 467.426 6.966 50 10 JKGE Cc1cc(Br)c(C)c([C@H](Br)[C@@H]2C[C@H]3C[C@@H]3CO2)c1Br 2136375075 RQXFMRBUFSPBOZ-DSKWVYQCSA-N 453.012 5.689 50 10 JKGE Fc1cc(Br)c([C@@H](Cl)c2cc(Br)c(Cl)s2)c(F)c1Cl 2136957347 CESIMYCNIANYBQ-VIFPVBQESA-N 471.375 7.186 50 10 JKGE Fc1cc(Br)c([C@H](Cl)c2ccc(I)cc2)c(F)c1Cl 2136967555 VSWQNQBJDRDFRU-LLVKDONJSA-N 477.901 6.314 50 10 JKGE O=C(c1c(Br)cccc1Br)N(CCBr)c1ccccc1 2150494135 OWDLFFCWJNYQRD-UHFFFAOYSA-N 461.979 5.253 50 10 JKGE Cc1cc(Br)c(CBr)c(N2CC[C@@]3(CN(Cc4ccccc4)CCO3)C2)c1 2173444914 PAORTOILIKIQFO-JOCHJYFZSA-N 494.271 5.134 50 10 JKGE Cc1cc(Br)c(CBr)c(N2Cc3ccc(Br)cc3C2)c1 2173444920 PBQRMJBRDVSHJX-UHFFFAOYSA-N 460.007 5.935 50 10 JKGE Cc1cc(Br)c(C)c(Oc2cc(C)cc(Br)c2CBr)c1 2173449646 HCUYHPXIEGTCHU-UHFFFAOYSA-N 463.007 6.824 50 10 JKGE COc1cc(Cl)c([C@@H](Br)c2cc(Cl)ccc2Cl)cc1Br 2202345326 CNTVHRPCMYVSIM-AWEZNQCLSA-N 459.392 6.902 50 10 JKGE COc1cc(F)c([C@H](Cl)c2cccc(F)c2I)cc1Br 2202911694 FCBROWPUJVGFQM-CYBMUJFWSA-N 473.482 5.669 50 10 JKGE COc1ccc(C[C@@H](Br)c2ccc(Br)c(C)c2Br)cc1 2203688857 WAUHDIYFJOGROS-OAHLLOKOSA-N 463.007 6.207 50 10 JKGE COc1cc(F)ccc1[C@@H](Br)c1cc(Br)c(Br)s1 2218601873 PHSGDZNELQKUIV-LLVKDONJSA-N 458.972 5.905 50 10 JKGE Cc1sc(Br)c(C)c1[C@@H](Cl)c1c(Br)cccc1Br 2218799811 WXLAAXYYMYAQRG-GFCCVEGCSA-N 473.455 6.981 50 10 JKGE CC1([C@@H](Cl)c2c(Br)sc(Br)c2Br)CC2(CCC2)C1 2221003871 OGOIJBLQFVOKJU-VIFPVBQESA-N 477.487 7.286 50 10 JKGE Cc1sc([C@@H](Br)c2sc(Br)c(C)c2C)c(Br)c1C 2221836004 LNYJNSJXLOAFCG-JTQLQIEISA-N 473.093 7.053 50 10 JKGE Cc1cc(Br)c([C@H](Br)c2nn(C)nc2Br)c(C)c1Cl 2226973712 CHUROHMMOPFMMQ-VIFPVBQESA-N 472.406 5.095 50 10 JKGE Cc1cc(Br)c([C@H](Br)C2(CC3CC3)CC2)c(C)c1Br 2227358023 YLZKEKPQSIOWHG-HNNXBMFYSA-N 451.040 6.845 50 10 JKGE COc1cc(Br)c([C@@H](Br)c2scc(Br)c2C)cc1C 2227723403 JHDOFLFJJRPJSR-CYBMUJFWSA-N 469.036 6.383 50 10 JKGE O=C(c1cc(Br)c(Br)s1)N1CC[C@@H]2[C@@H](Br)CCC[C@H]2C1 2233739836 IGGLNXRMRIEHKR-GUBZILKMSA-N 486.067 5.299 50 10 JKGE Cc1cc([C@H](Br)c2cc(Br)c(Br)cc2F)c(F)cc1F 2233975042 IEXJJPNENQLTDF-AWEZNQCLSA-N 472.924 6.422 50 10 JKGE FC(F)(F)Oc1ccc(Cl)cc1[C@@H](Br)c1sncc1Br 2239619336 FBZMFGLKGCGNGO-SECBINFHSA-N 451.489 5.942 50 10 JKGE Fc1cc(Br)c(Cl)cc1[C@@H](Cl)c1scc(Br)c1Cl 2253599046 KVANJDFSEFBWEG-SECBINFHSA-N 453.385 7.047 50 10 JKGE CC(C)(C)C1CCC(CI)(O[C@@H]2CCN(Cc3ccccc3)C2)CC1 2259472269 MZNVZAXFQFSGKF-SNCIUUNGSA-N 455.424 5.688 50 10 JKGE Cc1cc(Br)ccc1[C@@H](Cl)Cc1cc(Br)cc(Br)c1 2277963777 YIKXJIYDJVHXTJ-HNNXBMFYSA-N 467.426 6.805 50 10 JKGE C[C@@H](Cl)COCc1cc(-c2ccc(OCc3ccccc3)c(OCc3ccccc3)c2)no1 2278370031 CEUBPWZHYNPEDF-HXUWFJFHSA-N 463.961 6.644 50 10 JKGE Cc1cc(Br)c([C@@H](Br)c2cc(F)cc(Br)c2)c(C)c1F 2279147094 REKAZLHCILCGRC-AWEZNQCLSA-N 468.961 6.591 50 10 JKGE Clc1cc(Br)c([C@@H](Cl)c2cccc(Cl)c2Br)c(Cl)c1Cl 2283199563 HVQLOLCJXIJJCS-NSHDSACASA-N 498.256 8.153 50 10 JKGE CS(=O)(=O)C1CC([C@@H](Br)c2c(Br)cc(Cl)c(Cl)c2Cl)C1 2285392346 YEQPWJSWIZHUJS-SHOFKNTGSA-N 485.452 5.669 50 10 JKGE Cc1cc(F)c(Br)cc1[C@H](Br)[C@@H](C)c1ccncc1Br 2285952663 MMEHKGLMIDAYSB-BJOHPYRUSA-N 465.986 6.294 50 10 JKGE Fc1ccc([C@@H](Br)c2c(F)cc(Br)c(F)c2Br)cc1F 2288376006 JMDYTJKCWVCRGL-LLVKDONJSA-N 476.887 6.252 50 10 JKGE CC(C)[C@@H]1CCC[C@@H]1[C@@H](Br)c1c(F)cc(Br)c(F)c1Br 2288483644 MVVRRUPXSVEDOG-MWODSPESSA-N 475.009 6.998 50 10 JKGE C=CCOc1ccc(Br)cc1C=C(C#N)C(=O)Nc1ncc(Cc2ccc(C)cc2)s1 2293038917 HNYNPOUKUWZTLN-UHFFFAOYSA-N 494.414 5.915 50 10 JKGE COc1cccc(CCNC(=O)C=Cc2cc(OC)c(O[Si](C)(C)C(C)(C)C)c(OC)c2)c1 2294821864 BNKSKBXDWAHJLY-UHFFFAOYSA-N 471.670 5.469 50 10 JKGE Brc1cc(Br)cc(C[C@@H](Br)C2CC3(C2)CC32CCC2)c1 2295329107 DLFVMZDLTUYQTK-YAJUMTOWSA-N 463.051 6.488 50 10 JKGE COc1cc2c(cc1NC=C(C#N)c1nc(-c3ccc4c(c3)OCO4)cs1)oc1ccccc12 2295945680 PBIJWBIEDUGHHU-UHFFFAOYSA-N 467.506 6.423 50 10 JKGE COc1cc(C=C(C#N)c2nc3ccccc3[nH]2)ccc1Oc1ccc(C(F)(F)F)cc1[N+](=O)[O-] 2296425869 IIMHAOSQKMHCQP-UHFFFAOYSA-N 480.402 6.355 50 10 JKGE N#CC(=CNc1ccccc1)c1nc(-c2cc3cc(Br)ccc3oc2=O)cs1 2296752727 UBXYUAZPYIWATF-UHFFFAOYSA-N 450.317 5.656 50 10 JKGE COc1cc(S(=O)(=O)Nc2ccc(C)cc2)ccc1NC=C(C=O)c1nc2cc(Cl)ccc2o1 2297531949 OFQSWVVCBNNNIB-UHFFFAOYSA-N 497.960 5.251 50 10 JKGE N#CC(=CC=C(Cl)c1ccc(Br)cc1)c1nc(-c2ccc3c(c2)OCO3)cs1 2297624330 QJBSPDWQQUHLJF-UHFFFAOYSA-N 471.763 6.488 50 10 JKGE Cl[C@H](c1cccc(Br)c1)c1cc(Br)ccc1OCc1ccccc1 2299497704 RWVUUSRZRXQEEQ-HXUWFJFHSA-N 466.600 7.119 50 10 JKGE Cc1nc([C@H](Cl)c2cc(Br)ccc2OCc2ccccc2)c(Br)s1 2299522806 NTHLZYPIRWJWCD-MRXNPFEDSA-N 487.644 6.884 50 10 JKGE C[C@@H]1C[C@@H](Br)C[C@@H](Cc2ccc(I)c(Br)c2)C1 2306199909 RGPLJCRZNJGHKD-MVWJERBFSA-N 472.002 5.796 50 10 JKGE C[C@@H]1CCC[C@H](Cc2ccc(I)c(Br)c2)[C@H]1Br 2306200497 YHTOJHLMWHLKBD-UDZFHETQSA-N 472.002 5.796 50 10 JKGE COc1cc(C=C(C#N)C(=O)Nc2cc([N+](=O)[O-])ccc2Cl)ccc1OCc1ccccc1Cl 2313675775 QJNYLMCAYMEROC-UHFFFAOYSA-N 498.322 6.035 50 10 JKGE FC(F)(F)[C@@H]1C[C@H]1C[C@@H](Br)c1cc(Br)ccc1OCc1ccccc1 2314441196 WSFPZFKDWVMVKY-IAOVAPTHSA-N 478.146 7.053 50 10 JKGE N#CC(=Cc1ccc(-c2ccc(Cl)c(Cl)c2)o1)c1nc(-c2ccc(Cl)cc2)cs1 2314456881 GFSZYKJPDPAWCL-UHFFFAOYSA-N 457.769 8.094 50 10 JKGE Brc1cc(OCc2ccccc2)ccc1[C@H](Br)[C@@H]1C[C@H]2C[C@H]1[C@H]1C[C@H]12 2314458649 GVZMJLDCIYOIJS-DARYBUAXSA-N 462.225 6.756 50 10 JKGE CC1=C(C#N)C(=O)N(C2CCCCC2)C(=O)C1=Cc1ccc(-c2ccc(Br)cc2)o1 2314617171 SCROQWWDYCMUCJ-UHFFFAOYSA-N 465.347 5.634 50 10 JKGE COC12CCC([C@H](Br)c3sc(Cl)cc3I)(CC1)C2 2316772775 XUSLMKKGKACKPG-PNESKVBLSA-N 461.590 5.791 50 10 JKGE Cc1nc(-c2ccc(F)cc2)ccc1C(=O)NNC(=O)C=Cc1cccc(OCc2ccccc2)c1 2321157890 VCFQSRRZQAWDEY-UHFFFAOYSA-N 481.527 5.250 50 10 JKGE CC[C@@H]1[C@@H](CBr)CCN1Cc1ccc(I)c(Br)c1 2325222415 KVDOAGNYUZXPIP-BXUZGUMPSA-N 487.017 5.049 50 10 JKGE BrCC1(OCc2ccc(I)c(Br)c2)CCCCC1 2325376431 JDCGHYSCOBADSL-UHFFFAOYSA-N 488.001 5.668 50 10 JKGE Brc1cc([C@H](Br)[C@H]2C[C@@H]3CCCCCC[C@@H]32)c(Br)s1 2329821564 JYIJYMGMRRBHRP-AYGWYOGXSA-N 471.096 7.316 50 10 JKGE CCCCCCOc1ccc(C=C(C#N)c2nc(O)c3ccc(C(=O)OC)cc3n2)cc1OC 2331046344 HZARIACFVYURBP-UHFFFAOYSA-N 461.518 5.154 50 10 JKGE CCCOc1ccc(-c2csc(C(C#N)=C(O)c3ccc(OC)c(OC)c3)n2)cc1OCCC 2331293308 UYKDFWNKJXOOKG-UHFFFAOYSA-N 480.586 6.355 50 10 JKGE CCCCCOc1ccc(C=C(C#N)c2nc(-c3ccc(C(C)(C)C)cc3)cs2)cc1OC 2331453440 TXCCMPPIBTZCHN-UHFFFAOYSA-N 460.643 7.749 50 10 JKGE CCOc1ccc(OCC)c(-c2csc(C(C#N)=Cc3ccc(OCC)c(OC)c3)n2)c1 2331470068 DEOHOMCMJSZRAS-UHFFFAOYSA-N 450.560 6.079 50 10 JKGE COc1cccc(C[C@H](Br)c2ccc(OCc3ccccc3)cc2Br)c1 2336038679 PVRQAWYXYSXGSV-NRFANRHFSA-N 476.208 6.715 50 10 JKGE CCO[C@@H]1C[C@@H]1[C@H](Br)c1c(C)cc(Br)c(OC)c1Br 2339652794 CGUIHLFRYFXHEB-XRNSZHNASA-N 457.000 5.390 50 10 JKGE COc1c(Br)cc(C)c([C@H](Br)[C@@H]2C[C@@H](C)CO2)c1Br 2339657592 ZKNHTUHAQAAHCP-INNHCVQGSA-N 457.000 5.390 50 10 JKGE CCOc1ccc([C@@H](Br)c2ccc(Cl)cc2I)cc1 2340062008 UPZDJLKNQLKHSU-OAHLLOKOSA-N 451.529 5.828 50 10 JKGE Cc1cccc([C@H](Br)CCc2ccc(I)c(Br)c2)c1 2349854907 PVIWFEFZQOJVPF-CQSZACIVSA-N 494.008 6.431 50 10 JKGE Cc1cc(Br)c(C(C)C)cc1[C@@H](Br)c1ccsc1Br 2352806270 UTUXLMBNYCFZKO-AWEZNQCLSA-N 467.064 7.189 50 10 JKGE CCCC[C@@H](CC)[C@@H](Br)c1c(C)cc(Br)c(OC)c1Br 2365189848 ZADSAWJARPHMPF-BXUZGUMPSA-N 471.071 7.181 50 10 JKGE FC1(F)[C@@H]2CC(CO[C@H](CI)c3ccc(Br)cc3)C[C@H]21 2369978331 QIHWCUSTIMGENQ-MGPQQGTHSA-N 457.096 5.233 50 10 JKGE CCOC(=O)c1c(-c2ccc(Cl)cc2)csc1NC(=O)/C(C#N)=C/c1ccc(OCC)cc1 1935436 RSRYUZOYOVILMS-QGOAFFKASA-N 480.973 6.190 50 10 JKGE CC(C)(C)c1ccc(OCC(=O)N/N=C/c2c(Cl)cccc2Cl)c(Br)c1 12403446 HFACHVKTFKELAT-AUEPDCJTSA-N 458.183 5.583 50 10 JKGE CC[C@H](C)c1ccc(OCC(=O)NNC(=O)COc2ccc([C@H](C)CC)cc2Br)cc1 14832325 FFAJWDXMBHDOND-DLBZAZTESA-N 491.426 5.081 50 10 JKGE COc1ccc(C=NNC(=O)c2ccccc2Cl)cc1COc1c(F)c(F)c(F)c(F)c1F 15934380 ASNLAYKMGMXPSY-UHFFFAOYSA-N 484.808 5.387 50 10 JKGE CC(C)(C)c1ccc(CS/C(Nc2ccccc2Cl)=C(\C#N)S(=O)(=O)c2ccccc2)cc1 20325214 RAWQKOVOWRFYPN-OCOZRVBESA-N 497.085 7.149 50 10 JKGE N#C/C(=C/c1cccc(OC(=O)c2cc(C(F)(F)F)cc(C(F)(F)F)c2)c1)c1ccc(Cl)cc1 31903054 WOOATUMZSNACPA-IUXPMGMMSA-N 495.806 7.661 50 10 JKGE CCCCOc1cccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)COc4ccc(F)cc4)ccc32)c1 38685092 QXNYTZIWYRNBRS-MHZLTWQESA-N 488.515 5.207 50 10 JKGE N#CC1=C(N)Oc2cc(OC(=O)c3ccccc3)ccc2[C@H]1c1ccc(OCc2ccc(F)cc2)cc1 38686429 KSCFGUHNEUZRMU-MUUNZHRXSA-N 492.506 5.842 50 10 JKGE COc1ccc(C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@@H]3c2ccccc2Cl)cc1Cl 38687661 LVLFVRWTMNAHRZ-JOCHJYFZSA-N 467.308 5.439 50 10 JKGE Cc1ccc(C(=O)N/N=C2\CCCc3oc(C(=O)Oc4ccc5ccccc5c4)c(C)c32)cc1 40804537 NEJVZZWMEHBXKM-BYNJWEBRSA-N 452.510 5.739 50 10 JKGE CCCCOc1ccc(NC(=O)c2oc3c(c2C)/C(=N/NC(=O)c2ccc(Cl)cc2)CCC3)cc1 40811659 WGSAJEMHYWCWRE-JBASAIQMSA-N 493.991 6.143 50 10 JKGE CCCCOc1ccc(NC(=O)c2oc3c(c2C)/C(=N/NC(=O)c2ccc(O)cc2)CCC3)cc1 40812065 VWTGQBOHWSABJX-QUPMIFSKSA-N 475.545 5.195 50 10 JKGE COc1cccc(CN(C(=O)CCl)[C@@H](C(=O)NC2CCC(C)CC2)c2ccc(Cl)cc2)c1 97914747 SVNLEUMQOGBYNK-INYXTNAKSA-N 477.432 5.352 50 10 JKGE O=C1OC(=O)[C@@H]2[C@H]1[C@]1(c3ccccc3)C(=O)[C@]2(c2ccccc2)C(c2ccccc2)=C1c1ccccc1 100078021 RRYGIAWZXXLJOD-LNXLNJASSA-N 482.535 5.386 50 10 JKGE Cc1sc(Br)cc1[C@@H](Br)c1ccccc1I 114635272 QVCZJAXNCXZCCW-LBPRGKRZSA-N 471.983 5.908 50 10 JKGE Brc1cc([C@@H](Br)[C@@H]2Cc3ccccc3O2)sc1Br 128192965 SCAIRTWVWYCJQV-JQWIXIFHSA-N 452.993 5.713 50 10 JKGE CCC(C)(C)c1ccc([C@@H](Br)c2cc(Br)c(Br)s2)cc1 128569602 FSCYLFSTTHQRSP-CQSZACIVSA-N 481.091 7.445 50 10 JKGE CC1CCC(CBr)(NC(=O)c2ccc(Br)cc2Br)CC1 232804441 JYKSDDYHAAVRDM-UHFFFAOYSA-N 468.027 5.285 50 10 JKGE COc1cc(F)c(Br)cc1[C@@H](Br)c1cccc(I)c1 234867470 UIRLWSFWQNFOSK-AWEZNQCLSA-N 499.943 5.686 50 10 JKGE COc1ccc([C@@H](Br)c2ccc(F)cc2I)cc1Cl 234982125 HICORBAMTQJYPS-CQSZACIVSA-N 455.492 5.577 50 10 JKGE COc1cc(Cl)c([C@@H](Br)c2cc(Cl)ccc2Br)cc1Cl 235018641 PWNFAFJCUNTHBG-AWEZNQCLSA-N 459.392 6.902 50 10 JKGE Clc1cnccc1C[C@@H](Br)c1cc(Br)sc1Br 236036167 QQWDDIHRENSWPI-MRVPVSSYSA-N 460.416 6.000 50 10 JKGE Fc1ccc([C@H](Br)c2cc(Br)ccc2I)cc1F 236244829 DMRUQFFYMICDKY-ZDUSSCGKSA-N 487.907 5.816 50 10 JKGE COc1cc(OC)c(C=NNC(=O)CCCOc2ccc(Cl)cc2Cl)cc1Br 252462019 PFJIKBPZNSJHSX-UHFFFAOYSA-N 490.181 5.082 50 10 JKGE COc1ccc(C=NNC(=O)c2cc(-c3ccc(Cl)s3)nc3ccccc23)c(OC)c1OC 254714617 AFNXYJSHKHJMJC-UHFFFAOYSA-N 481.961 5.406 50 10 JKGE Cc1ccccc1C(=O)Oc1ccc(C=NNC(=O)COc2ccc(-c3ccccc3)cc2)cc1 254789889 BXBMGYIYBYNZEG-UHFFFAOYSA-N 464.521 5.410 50 10 JKGE O=C(NN=C/C(Br)=C/c1ccccc1)c1cc(-c2ccccc2)nc2ccccc12 263627493 HUHHXMFAMNQNMQ-GXNRGKKWSA-N 456.343 6.053 50 10 JKGE Fc1cc2c(cc1I)nc(CCl)n2C[C@H]1CCN(Cc2ccccc2)C1 311563007 YMMRQVDTEBRUPW-HNNXBMFYSA-N 483.756 5.041 50 10 JKGE Fc1cc(Br)cc(-n2c(CCl)nc3cc(I)ccc32)c1 387464304 XOSUBLXUFJXLPI-UHFFFAOYSA-N 465.491 5.271 50 10 JKGE CC(C)(C)[Si](C)(C)OCc1ccccc1[C@@H]1c2ccccc2CCN1S(=O)(=O)c1ccccc1 616689811 GQVFQWUNALRSAB-MHZLTWQESA-N 493.745 6.545 50 10 JKGE BrCC(CBr)(Cc1ccns1)c1ccc(Br)cc1 694583806 VCNIQOASQQQHRV-UHFFFAOYSA-N 454.025 5.176 50 10 JKGE C[C@H](CC(C)(C)C)CC(CBr)(CBr)c1cccc(Br)c1 709071763 SKCUAGWYSLNLMP-CYBMUJFWSA-N 469.099 6.939 50 10 JKGE Fc1cc(Br)c([C@H](Br)Cc2ccccc2Br)c(F)c1F 709562034 ONILXXZLYGZVBV-SECBINFHSA-N 472.924 6.308 50 10 JKGE Cc1cc(/C=C(\C#N)C(=O)Nc2cccc(Cl)c2Cl)c(C)n1-c1ccc(N(C)C)cc1 1084307268 BBXKGMBCWOKEDX-QGOAFFKASA-N 453.373 6.013 50 10 JKGE N#C/C(=C/c1ccc(-c2ccc(Cl)c(Cl)c2)o1)C(=O)N1CCN(c2ccccc2)CC1 1084626784 FSCLWBXGABHWDV-JXAWBTAJSA-N 452.341 5.509 50 10 JKGE CCCCCCOc1ccc([C@H]2CN(C(=O)OCc3ccccc3)C[C@@H]2CBr)cc1 1614613847 BLZXAOPXGCXKRJ-LADGPHEKSA-N 474.439 6.393 50 10 JKGE O=C(OCc1ccccc1)N1C[C@H](c2ccc(C(F)(F)F)cc2F)[C@@H](CBr)C1 1614626454 IGAQFDULRVUIGP-YOEHRIQHSA-N 460.265 5.592 50 10 JKGE N#CSc1ccc(NC(=O)Oc2ccc(CNC(=O)c3ccc(Cl)cc3F)cc2)cc1 1858914436 IGLGBVSNJRSFGG-UHFFFAOYSA-N 455.898 5.593 50 10 JKGE CC(C)c1ccc([C@@H]2C(C#N)=C(N)Oc3c2c(C(F)(F)F)nn3-c2ccc(Cl)c(Cl)c2)cc1 1865685688 LLBHNYDSMMLYBP-GOSISDBHSA-N 493.316 6.539 50 10 JKGE CCOc1ccc([C@@H]2C(C#N)=C(N)Oc3c2c(-c2ccccc2)nn3-c2ccccc2Cl)cc1OC 1865695423 ONLWVKAUKKAKPF-XMMPIXPASA-N 498.970 5.818 50 10 JKGE COc1ccc(-c2nn(-c3ccc(Br)cc3)c3c2[C@H](c2ccco2)C(C#N)=C(N)O3)cc1 1865697770 BLILXKHSTJDOEN-FQEVSTJZSA-N 489.329 5.122 50 10 JKGE Cc1ccc(C)c(OCC(=O)NNC(=O)c2ccc(-c3ccc(Cl)c(Cl)c3)nc2C)c1C 1865759208 NNHIEMGSEDKRLQ-UHFFFAOYSA-N 472.372 5.129 50 10 JKGE Cc1cccc2cc3c(nc12)N(c1cc(Nc2ccc(SC#N)cc2)nc(C(C)C)n1)CC3 1868231621 MQEKCENKUXXDQG-UHFFFAOYSA-N 452.587 6.468 50 10 JKGE COCCc1nc(Nc2ccc(SC#N)cc2)cc(N2[C@H](Cc3ccccc3)COCC2(C)C)n1 1868253109 CJJWFTNJHHPCJD-JOCHJYFZSA-N 489.645 5.209 50 10 JKGE COc1ccc(-c2c(C3CCC3)oc3cc(OC(=O)C(Cl)Cl)ccc3c2=O)cc1OC 1871386070 BKYFCLPGQJIMIM-UHFFFAOYSA-N 463.313 5.454 50 10 JKGE CCOc1ccc(-c2csc(/C(C#N)=C(\O)[C@@H](CC(C)C)N3C(=O)c4ccccc4C3=O)n2)cc1 1872747662 NWHWCPPFRHQQRW-KXNAUXDSSA-N 487.581 5.712 50 10 JKGE N#C/C(=C(/O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1)c1nc(-c2ccc(Cl)c(Cl)c2)cs1 1872749275 JMSLGQAORNMYBV-LGMDPLHJSA-N 463.258 5.883 50 10 JKGE CCCCCCCOc1ccc(-c2csc(/C(C#N)=C(\O)COc3ccccc3CC)n2)cc1 1872753134 INMOGVMBEFVBQH-LCUIJRPUSA-N 476.642 7.593 50 10 JKGE COc1cc(C)c(-c2csc(/C(C#N)=C(\O)c3ccc(Cl)c([N+](=O)[O-])c3)n2)cc1C(C)C 1872753681 IQGKOAZJBMOETE-XLNRJJMWSA-N 469.950 6.762 50 10 JKGE CCc1cccc(C)c1N1C[C@H](/C(O)=C(\C#N)c2nc(-c3ccc(C)c(C)c3)cs2)CC1=O 1872756272 GWNBKWUUVZMFAP-LXAYZEPESA-N 457.599 6.144 50 10 JKGE CCCCCc1ccc([C@H](Br)c2cc(Br)sc2Br)s1 1889032490 DSGIBJGFYOQXPM-CYBMUJFWSA-N 487.120 7.552 50 10 JKGE Brc1cc([C@H](Br)C2CC3(CCCCC3)C2)c(Br)s1 1912559636 VJHFUMCZOYPQJN-GFCCVEGCSA-N 457.069 7.070 50 10 JKGE Cc1cccc(C(=O)N(Cc2ccccc2)[C@@H](C)CCBr)c1I 1915130855 QBKKPWRJFSECIZ-HNNXBMFYSA-N 486.191 5.416 50 10 JKGE Cc1cc(S(=O)(=O)N(Cc2ccccc2)[C@H](CCl)C(C)C)sc1Br 1915276849 VHRDEGPINFQEQL-OAHLLOKOSA-N 450.851 5.273 50 10 JKGE Cc1c(Br)sc([C@H](Cl)c2cscc2Br)c1Br 1922883820 PWISCGDMJRWBSA-MRVPVSSYSA-N 465.457 6.734 50 10 JKGE COc1cccc([C@H](Br)c2c(Br)sc(Br)c2Cl)c1 1923038421 JEYLQVQUWJSKPL-VIFPVBQESA-N 475.427 6.419 50 10 JKGE Fc1cccc(Cl)c1[C@H](Cl)c1c(Br)sc(Br)c1Cl 1923041157 ZBWJFKIZNCWROX-QMMMGPOBSA-N 453.385 7.047 50 10 JKGE C[C@@H]1CCCC[C@@H]1[C@@H](Br)c1c(Br)sc(Br)c1Cl 1923063320 YCKRNODPHFFCAE-BKPPORCPSA-N 465.476 7.189 50 10 JKGE C[C@@H]1COCC[C@H]1[C@@H](Br)c1c(Br)sc(Br)c1Cl 1923070760 DLCCIRQKCCIESN-ATRFCDNQSA-N 467.448 6.035 50 10 JKGE Clc1ccsc1[C@H](Cl)c1c(Br)sc(Br)c1Br 1924579513 GVQSJMSXLZUBJD-ZCFIWIBFSA-N 485.875 7.079 50 10 JKGE CCC1([C@@H](Cl)c2c(Br)sc(Br)c2Br)CCCC1 1924583243 HTZBLVOJVWZGLE-VIFPVBQESA-N 465.476 7.286 50 10 JKGE Cc1ccc([C@@H](Cl)c2c(Br)sc(Br)c2Br)c(Cl)c1 1924591705 SZPWMICLZXLCIN-SNVBAGLBSA-N 493.873 7.326 50 10 JKGE Cc1ccc(Br)cc1[C@H](Br)c1c(Cl)sc(Br)c1Cl 1925586548 AGZUWYPLINCHIF-VIFPVBQESA-N 493.873 7.373 50 10 JKGE Clc1sc(Br)c(Cl)c1[C@@H](Br)C1C2CC3CC(C2)CC1C3 1925601930 YFWNYRKVLDFUBE-ZQOQPLRDSA-N 459.074 7.326 50 10 JKGE CN(CCN(Cc1ccccc1)c1c(F)cc(CBr)cc1F)Cc1ccccc1 1931966347 ZKTQIDKPWWHIQL-UHFFFAOYSA-N 459.378 5.998 50 10 JKGE Cc1sc(Br)cc1[C@H](Br)c1cscc1OCc1ccccc1 1934839827 RAIFPWABPLBNNM-KRWDZBQOSA-N 458.240 6.944 50 10 JKGE Fc1cc(Cl)c(Br)cc1[C@H](Br)c1ncsc1Br 1948514820 CLAUOPGUPZPPDK-QMMMGPOBSA-N 464.379 5.945 50 10 JKGE CO[C@@H]1C[C@]2([C@H](Cl)c3c(Br)sc(Br)c3Br)C[C@H]12 1951248042 XPLONYUTCDOOPX-HNQRLQTDSA-N 465.432 5.741 50 10 JKGE Clc1c(Br)sc(Br)c1[C@H](Br)CCC1CCC1 1976928039 DVUJZSHWHXRTCF-SSDOTTSWSA-N 451.449 6.943 50 10 JKGE Fc1ccc(I)cc1[C@@H](Cl)c1cc(Cl)c(Br)s1 2003649560 LIJNYVXXICGMEM-SNVBAGLBSA-N 465.940 6.236 50 10 JKGE CCN(C[C@](C)(CI)OC1CC2(CCCC2)C1)C(=O)OC(C)(C)C 2017964927 DNVFZXGQLBAAJN-SFHVURJKSA-N 451.389 5.177 50 10 JKGE CCCCC[C@H](CC)OC1(CI)CCN(C(=O)OC(C)(C)C)CC1 2026330212 ZXXANOBZJDZGPZ-INIZCTEOSA-N 453.405 5.567 50 10 JKGE Clc1c(Br)sc(Br)c1[C@@H](Br)[C@@H]1CC2(CCC2)CO1 2047664258 MHAXPUCFZVIBNF-XPUUQOCRSA-N 479.459 6.322 50 10 JKGE FC(F)(F)c1ccc(Cn2nc(CBr)c3c2C[C@H]2C[C@H]32)c(Br)c1 2080759783 CMWBVGWPQJJHQJ-KOLCDFICSA-N 450.096 5.267 50 10 JKGE Br[C@@H](c1csc(I)c1)c1ccc(-c2cccs2)s1 2085088508 QGCRKGFLMUBLRX-ZDUSSCGKSA-N 467.216 6.627 50 10 JKGE CCCOCCCC(CBr)(CBr)c1ccc(Br)cc1 2092613955 AZCZODGXRUEYPR-UHFFFAOYSA-N 457.044 5.684 50 10 JKGE Fc1cc(F)c([C@@H](Br)c2c(Br)cccc2Br)cc1F 2094091261 RBWBVDYAAHAEPZ-CYBMUJFWSA-N 458.897 6.113 50 10 JKGE CN(Cc1cccc(Br)c1Br)C[C@H](Br)C1CCCC1 2111363207 KHRVNFHXNWCQBK-AWEZNQCLSA-N 454.044 5.597 50 10 JKGE Cc1c(Br)sc([C@H](Br)[C@@]2(C)CCCCC2(F)F)c1Br 2111648343 UDRSXGSUUYUTDJ-CMPLNLGQSA-N 481.038 7.233 50 10 JKGE C[C@H](Cl)c1nc2cc(Cl)c(Br)cc2n1[C@@H]1CC[C@H]1OCc1ccccc1 2112702080 RPKPLXQUOKKJAS-OEPMTFCVSA-N 454.195 6.672 50 10 JKGE Fc1ccc(CC[C@@H](Br)c2ccccc2Br)c(Br)c1 2113444050 HVGORHLRDVWNJV-CQSZACIVSA-N 450.971 6.420 50 10 JKGE Brc1ccc(Br)c(C[C@@H]2C[C@@H]3CCCC[C@@H]3[C@@H]2Br)c1 2118525918 ZHVNJLDRLDAQFT-YLUJIRGKSA-N 451.040 6.344 50 10 JKGE Cc1cc(Br)c([C@H](Br)C(F)(F)C2CCCC2)cc1Br 2128839186 XFVICZLBNSIUDF-ZDUSSCGKSA-N 460.982 6.782 50 10 JKGE Cc1cc(Br)c(C)c([C@H](Br)C[C@@H]2CC[C@H]3C[C@@H]23)c1Br 2136369583 KEFKYGUEXBOHMX-CIQGVGRVSA-N 451.040 6.701 50 10 JKGE Cc1c(Br)ccc([C@H](Br)C2C[C@@H]3CC[C@H](C2)O3)c1Br 2138849338 DOTSIJUCKXBEPA-UFFDXJJYSA-N 453.012 5.914 50 10 JKGE Cc1c(Br)ccc([C@H](Br)[C@@H]2C[C@@]2(C)C(F)(F)F)c1Br 2138871321 NHADRKRNECAOLW-KPXOXKRLSA-N 464.945 6.545 50 10 JKGE COc1c(C)cc(Br)cc1[C@@H](Br)c1cc(C)c(Br)o1 2141641105 ZGPLOUYGXNOFQB-GFCCVEGCSA-N 452.968 5.914 50 10 JKGE Cc1cc(C(=O)CCl)c(C)n1-c1cc(Br)c(Br)c(Br)c1 2151784066 MEQNINRDCRZEJW-UHFFFAOYSA-N 484.413 5.803 50 10 JKGE O=C(NC[C@H]1CCCC[C@@H](Br)C1)c1cc(Cl)ccc1I 2163745191 FQOHMRFXQRIITF-WDEREUQCSA-N 470.576 5.018 50 10 JKGE O=C(c1cc(Br)cc(Br)c1)N(CCBr)Cc1cccs1 2171090201 FLBSMVUNSYEZND-UHFFFAOYSA-N 482.035 5.310 50 10 JKGE CC(C)(C)OC(=O)N[C@@H](C[S@@](C)(=O)=NCc1ccc(CBr)cc1)C(C)(C)C 2182855325 PMQFBEAFBHTIQD-CBZJRKILSA-N 461.466 5.119 50 10 JKGE ClCc1cc(Br)cc(Br)c1OCc1cc(Cl)cc(Cl)c1 2197968302 SXTRFJXMUOFDLD-UHFFFAOYSA-N 459.392 6.836 50 10 JKGE COC[C@@]1([C@@H](Br)c2c(C)c(Br)cc(C)c2Br)CCCO1 2201066149 XHJODPPZQLIERR-LSDHHAIUSA-N 471.027 5.460 50 10 JKGE Cc1cc(Br)c(C)c([C@@H](Br)Cc2cccc(Cl)c2)c1Br 2201069279 KBMSASXGNOSSHU-AWEZNQCLSA-N 481.453 7.161 50 10 JKGE Brc1ccc([C@H](Br)[C@@H]2CC3(CCCCC3)CO2)c(Br)c1 2203687009 VSDJQOYBKDDOOY-GJZGRUSLSA-N 467.039 6.387 50 10 JKGE Clc1cc(CN2CCC[C@@]3(CBr)CCC[C@@H]23)ccc1I 2208035237 CUGUERTUXCHGIL-HZPDHXFCSA-N 468.604 5.474 50 10 JKGE Cc1c(Br)sc([C@H](Br)c2ccc(Br)cc2F)c1C 2218789634 IYDJMPWYMALRFA-LLVKDONJSA-N 457.000 6.513 50 10 JKGE Cc1sc(C[C@H](Br)c2ccccc2Br)c(Br)c1C 2221822735 KWFKYWHISIHGAA-LBPRGKRZSA-N 453.037 6.569 50 10 JKGE Cc1nn(C)c([C@@H](Br)c2c(Br)sc(Br)c2Cl)c1Cl 2224018801 OTNXHXQAIBSMCK-YFKPBYRVSA-N 497.865 6.106 50 10 JKGE Cc1cc([C@@H](Br)c2ccc(C)c(I)c2)c(C)cc1Br 2224622709 UUWNBJYEFVKRLV-INIZCTEOSA-N 494.008 6.463 50 10 JKGE Cc1c(Br)csc1[C@H](Br)c1cc(Br)c2c(c1)CCO2 2226126519 YJOCEMUIEHIYCN-GFCCVEGCSA-N 467.020 6.001 50 10 JKGE CCn1cc([C@H](Br)Cc2ccc(Br)cc2Cl)nc1Br 2229147518 LEJXSUAEGYOENO-SNVBAGLBSA-N 471.418 5.760 50 10 JKGE Cl[C@H](c1cc(Br)c(Br)s1)c1ccc2c(c1Br)CCO2 2229734824 WPONZCOILRGJPA-LBPRGKRZSA-N 487.438 6.299 50 10 JKGE Cc1cc(Br)c([C@@H](Cl)c2c(Cl)cccc2Br)c(C)c1Cl 2232530854 VWJAOJYXSHYYQY-OAHLLOKOSA-N 457.420 7.463 50 10 JKGE CCCC[C@@H](C)CC[C@H](Br)c1c(Br)cc(C)c(Br)c1C 2235610651 HAMDYWPYTIZYOT-RISCZKNCSA-N 469.099 7.871 50 10 JKGE Cc1cc(Br)c([C@H](Br)[C@@H]2C[C@H](C)O[C@H](C)C2)c(C)c1Br 2235616115 YMXXRUOPRKVJGW-XPQXIITISA-N 469.055 6.468 50 10 JKGE Cc1cc(Br)c([C@H](Br)c2sc(C)c(C)c2C)c(C)c1Br 2236842706 AFJJROZAWRSOIV-HNNXBMFYSA-N 481.091 7.300 50 10 JKGE CC(C)(C)OC(=O)N1C[C@H](Br)[C@H](OCc2cc(Br)ccc2Cl)C1 2245931102 QTSMJQXGCSAPRK-GXTWGEPZSA-N 469.601 5.002 50 10 JKGE CC(C)CCC[C@H](C)CCOC1(CI)CCN(C(=O)OC(C)(C)C)CC1 2269432931 ASLPUCYAFVXXEF-SFHVURJKSA-N 481.459 6.060 50 10 JKGE Cc1cc(Br)c([C@H](Br)c2c(F)cccc2Br)c(C)c1F 2279147047 QQEMUOLCBGVUEB-AWEZNQCLSA-N 468.961 6.591 50 10 JKGE Fc1cc(Br)c(F)c(Br)c1[C@@H](Br)[C@H]1CC[C@H]2C[C@H]1CO2 2288498377 GCWMXTFZRHYKNG-QZOVBDONSA-N 474.965 5.741 50 10 JKGE COc1c(Br)cc(Cl)c(C)c1[C@H](Cl)c1scc(C)c1Br 2295266944 GSHAJMAMYXARRP-LBPRGKRZSA-N 459.030 6.880 50 10 JKGE COc1cc([N+](=O)[O-])ccc1NC(=O)C(C#N)=Cc1ccccc1OCc1ccccc1Cl 2295459722 RPEZBOLJECQCCK-UHFFFAOYSA-N 463.877 5.381 50 10 JKGE Cc1ccccc1N1C(=O)[C@@H](Cc2cccc(Cl)c2)SC1=C(C#N)C(=O)Nc1ccccc1 2296507196 XYOMBIKESBHAPI-HSZRJFAPSA-N 473.985 5.713 50 10 JKGE N#CC(C1=N[C@H](c2ccccc2)[C@H](c2ccccc2)O1)=C1N[C@H](c2ccccc2)[C@@H](c2ccccc2)O1 2296602450 MMDOSCUBNVZLAW-CSBHBGLHSA-N 483.571 6.735 50 10 JKGE C[C@@H]1C[C@@H]2C(=CCCC2(C)C)C[C@@H]1C=NNC(=O)CNC(=O)C(c1ccccc1)c1ccccc1 2297672240 VBYMCZWEOZFNSW-LPPUWEFUSA-N 471.645 5.445 50 10 JKGE CN(C)C(=O)C(C#N)=Cc1cc(Cl)c(OCc2ccc(Cl)cc2Cl)c(Br)c1 2313568336 UWPYIGVSNINQBR-UHFFFAOYSA-N 488.596 5.983 50 10 JKGE Cc1cccc(C)c1[C@@H](Br)c1ccc(OCc2ccccc2)cc1Br 2314500118 KBPOEWDSRVFYLW-QFIPXVFZSA-N 460.209 7.129 50 10 JKGE Cc1c(Cl)sc(Cl)c1[C@@H](Br)c1c(F)cccc1I 2314504673 BHFQOXKGLVQXJS-SNVBAGLBSA-N 479.967 6.591 50 10 JKGE N#CC(=Cc1ccc2noc(-c3ccc(Cl)cc3)c2c1)c1nc(-c2ccc(F)cc2)cs1 2314571693 KHYNAQPZERUPLS-UHFFFAOYSA-N 457.917 7.475 50 10 JKGE N#CC1=C(N)Oc2cc(OC(=O)C=Cc3ccccc3)ccc2[C@@H]1c1ccc(Cl)c(Cl)c1 2314634641 RZOMKZBLNKMORD-DEOSSOPVSA-N 463.320 5.830 50 10 JKGE CCCOc1ccc(C=C(C#N)C(=O)Nc2sc(C)c(-c3ccccc3)c2C(=O)OCC)cc1 2314737800 UZBFJBCCAQIUSS-UHFFFAOYSA-N 474.582 6.235 50 10 JKGE Cc1nc(Br)c([C@H](Cl)c2cc(Br)ccc2Br)n1C 2315595405 HQEAJWLCIKABLJ-SNVBAGLBSA-N 457.391 5.344 50 10 JKGE Cc1nc(Br)c([C@@H](Cl)c2c(Cl)sc(Br)c2Cl)n1C 2315631410 UDGFQBZWRBELMW-YFKPBYRVSA-N 453.414 5.950 50 10 JKGE COc1cccc([C@@H](Br)c2sc(Cl)cc2I)c1C 2316774684 LKDLJSODKMUZHP-GFCCVEGCSA-N 457.558 5.807 50 10 JKGE COc1ccc([C@H](Br)c2sc(Cl)cc2I)cc1Cl 2316778548 YGAOXGWXEQIPNZ-NSHDSACASA-N 477.976 6.152 50 10 JKGE FC1(F)[C@H]2C[C@H]([C@@H](Br)c3c(Br)sc(Br)c3Cl)CC[C@H]21 2329710131 OOBSHVINLKXOBW-MNCSTQPFSA-N 499.440 7.044 50 10 JKGE COc1ccc(-c2csc(C(C#N)=C(O)c3ccc4c(c3)C(=O)N(CC(C)C)C4=O)n2)cc1OC 2331242194 BBVGVZMFORYJLT-UHFFFAOYSA-N 489.553 5.029 50 10 JKGE CC(C)(C)c1ccc(OCCCC(O)=C(C#N)c2nc(-c3cccc(Cl)c3)cs2)cc1 2331294129 SWAOJSLUFFSRRJ-UHFFFAOYSA-N 453.007 7.413 50 10 JKGE N#CC(=C(O)CN1C(=O)COc2ccc(Cl)cc21)c1nc(-c2c[nH]c3ccccc23)cs1 2331349095 QAUSCPKQJJTKBK-UHFFFAOYSA-N 462.918 5.163 50 10 JKGE COc1cc(C)c(-c2csc(C(C#N)=C(O)C=Cc3ccc(Cl)cc3)n2)cc1C(C)C 2331353937 OZCXIZOWRDHHRW-UHFFFAOYSA-N 450.991 7.410 50 10 JKGE COc1ccc(-c2csc(C(C#N)=C(O)c3ccc4c(c3)C(=O)N(C(C)(C)C)C4=O)n2)cc1Cl 2331398144 MEDVRUMBWGEBAC-UHFFFAOYSA-N 493.972 5.816 50 10 JKGE COc1cc(C=C(C#N)c2nc(-c3ccc(C)cc3C)cs2)ccc1OCc1ccc(Cl)cc1 2331443229 AQJUAKFQYSXGFH-UHFFFAOYSA-N 487.024 7.732 50 10 JKGE Cc1cc(Br)c(C)c([C@@H](Br)[C@@H]2C[C@H]3CC[C@@H]2O3)c1Br 2332925873 SPFBUWXGXWFFGJ-FCIGDQIPSA-N 453.012 5.832 50 10 JKGE Fc1c(Br)cc(Cl)c([C@H](Br)[C@@H]2[C@H]3COCC[C@H]32)c1Br 2337086314 KGCVIDJLDZZQMV-DWCSTSAWSA-N 477.393 5.723 50 10 JKGE Cc1cc(Br)c(F)c(Br)c1[C@H](Br)[C@@H]1C[C@H]1C(C)(C)C 2339651025 LITFIBGGYMRXCO-KBVBSXBZSA-N 457.019 6.777 50 10 JKGE CC1(C)CCC[C@@](CBr)(Cc2ccc(Cl)cc2I)O1 2341047882 IQYWLBFKEQAFRH-HNNXBMFYSA-N 457.577 5.600 50 10 JKGE Cc1cc(Br)c([C@@H](Br)[C@H]2O[C@H]3CC[C@H]2C3)c(C)c1Br 2352552184 AVZSYVYGEQNOGW-MISXLKTNSA-N 453.012 5.832 50 10 JKGE CCCCCCCCCC[C@@H](Br)c1ccc(OCc2ccccc2)cc1Br 2361168901 QBZBHVQUQTYBAA-HSZRJFAPSA-N 496.327 8.995 50 10 JKGE Fc1ccc(F)c([C@@H](Br)c2c(Cl)cc(Br)c(F)c2Br)c1 2362233563 BPGAXFFCWJXPMK-LLVKDONJSA-N 493.342 6.767 50 10 JKGE CC(C)(C)c1ccc(C(=O)NNC(=O)COc2ccccc2-c2ccccc2)cc1Br 13979966 YWADGEGEIADFBE-UHFFFAOYSA-N 481.390 5.254 50 10 JKGE CCCCCOc1ccccc1C(=O)NNC(=O)COc1ccc2ccccc2c1Br 14035779 LSIQWTUPXOMKNA-UHFFFAOYSA-N 485.378 5.011 50 10 JKGE Cc1cc([N+](=O)[O-])ccc1NC(=O)/C(C#N)=C\c1ccc(OCc2ccccc2)c(Br)c1 33929963 UOKFIBSFBHGAQF-UNOMPAQXSA-N 492.329 5.790 50 10 JKGE Cc1ccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4ccc(Br)cc4)ccc32)cc1 38649163 ULXJCWWCWMOREF-QFIPXVFZSA-N 461.315 5.195 50 10 JKGE N#CC1=C(N)Oc2cc(OC(=O)c3cccc(Cl)c3)ccc2[C@@H]1c1cccc(Br)c1 38651538 YLUYRGYRQYUKJJ-NRFANRHFSA-N 481.733 5.540 50 10 JKGE Cc1cccc(C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@H]3c2ccc(Br)cc2)c1 38651568 QUHJWPRKVRRPOS-QFIPXVFZSA-N 461.315 5.195 50 10 JKGE Cc1ccccc1NC(=O)/C(C#N)=C/c1c(Oc2cccc(C)c2C)nc2c(C)cccn2c1=O 39993074 JRHLSHNMEBBHGD-RCCKNPSSSA-N 464.525 5.266 50 10 JKGE Cc1c(C(=O)Nc2cccc(Cl)c2)oc2c1/C(=N/NC(=O)c1cccc(Cl)c1)CCC2 40813349 HTCCJFZHFKVBSD-OVVQPSECSA-N 456.329 5.618 50 10 JKGE Cc1ccc(Cl)cc1NC(=O)c1oc2c(c1C)/C(=N/NC(=O)COc1ccccc1)CCC2 40816051 SWKIYUYSBFMVBJ-TURZUDJPSA-N 465.937 5.038 50 10 JKGE COc1cc(/C=N/NC(=O)COc2ccc(C(C)C)c(C)c2)ccc1OCc1ccc(Cl)cc1 40911126 ZRLUTMMCHGPPSF-WKULSOCRSA-N 480.992 5.889 50 10 JKGE Cc1ccc(C(C)C)c(OCCn2cc(/C=C(/C#N)C(=O)NC3CCCC3)c3ccccc32)c1 96577018 LCMVQDDYKPYCND-XLNRJJMWSA-N 455.602 6.118 50 10 JKGE ClCc1nc2cc(Br)cnc2n1-c1cc(Br)ccc1Br 98040112 SYBPGGKHNRTOLA-UHFFFAOYSA-N 480.385 5.447 50 10 JKGE Clc1cc(Br)ccc1[C@H](Br)Cc1ccc(Br)cc1 104170470 RIYDZJZVCHNQHT-CYBMUJFWSA-N 453.399 6.544 50 10 JKGE COc1cc(Br)c([C@H](Cl)c2ccccc2I)cc1OC 109817295 ZCHYBXDNJGGCQB-OAHLLOKOSA-N 467.528 5.399 50 10 JKGE Brc1cc([C@H](Br)c2cc3c(s2)CCC3)c(Br)s1 109869758 JMWNYGDAAHVINN-NSHDSACASA-N 457.050 6.308 50 10 JKGE COc1ccc2cc([C@@H](Br)c3cccc(I)c3)ccc2c1 109880159 JTMHFIKNLLPRNS-SFHVURJKSA-N 453.117 5.937 50 10 JKGE COc1cc(C)c(Br)cc1[C@@H](Br)c1cc(Br)ccc1C 115866757 PHVMNEHUQFTYTH-INIZCTEOSA-N 463.007 6.321 50 10 JKGE Clc1ccc(C[C@H](Br)c2cc(Br)c(Br)s2)cc1 128190298 TVRCCTZEDACNOX-VIFPVBQESA-N 459.428 6.605 50 10 JKGE COc1cc([C@@H](Br)c2cccc(Br)c2Cl)c(OC)cc1Br 134300365 PHBZFVMFGQTWKD-AWEZNQCLSA-N 499.424 6.367 50 10 JKGE CCOc1cc(Cl)c([C@@H](Br)c2ccc(I)cc2)cc1Cl 164577453 NECNVZQYNBEURW-HNNXBMFYSA-N 485.974 6.481 50 10 JKGE C=CCOc1ccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)/C=C\c4ccc(C)cc4)ccc32)cc1OC 205654108 MHFOMZFLIZIUOO-MTGJJOFUSA-N 494.547 5.405 50 10 JKGE CC(C)(C)c1ccc([C@@H](Br)c2ccc(Br)cc2Br)s1 232561218 FOAMANLSDRGDIF-AWEZNQCLSA-N 467.064 7.055 50 10 JKGE COc1ccc([C@@H](Cl)c2ccc(Br)cc2Br)cc1Br 234980537 MIHVCZJMWCNRGB-CQSZACIVSA-N 469.398 6.311 50 10 JKGE Cc1cc(Br)c([C@H](Cl)c2ccc(Br)cc2Br)s1 235823952 XPTMDYCKOKNXRU-LLVKDONJSA-N 459.428 6.672 50 10 JKGE CCN(CC)c1ccc(/C=C2/CCC(C=NNC(=O)Nc3ccccc3)=C2N2CCOCC2)cc1 252510805 BSPYRKURPAOLAV-KRSIDEDOSA-N 473.621 5.104 50 10 JKGE COc1ccc(C(=O)NN=Cc2ccc(OC)c(OCc3ccc(Cl)cc3Cl)c2)cc1 252614273 JIFWKQRJYUPGCZ-UHFFFAOYSA-N 459.329 5.354 50 10 JKGE CCOc1ccc(-n2c(SCC(=O)NN=C/C(C)=C\c3ccco3)nnc2-c2ccccc2)cc1 252624402 PNJJULXZRJGQRA-YMQLHWSVSA-N 487.585 5.224 50 10 JKGE Cc1ccc(-c2nnc(SCC(=O)NN=Cc3cccc4ccccc34)n2-c2ccc(C)cc2)cc1 254386324 RDPHTPXMMVYGHS-UHFFFAOYSA-N 491.620 5.947 50 10 JKGE CCOc1cc(C=NNC(=O)c2ccc(C)cc2OC)cc(Cl)c1OCc1ccccc1Cl 254439715 YRGBJUWUSZSHPY-UHFFFAOYSA-N 487.383 6.052 50 10 JKGE COc1cc([N+](=O)[O-])ccc1-c1ccc(C=NNC(=O)COc2ccc(-c3ccccc3)cc2)o1 254717076 WFXGBWQYWHIZKX-UHFFFAOYSA-N 471.469 5.060 50 10 JKGE CCCCOc1ccc(C(=O)Oc2ccc(C=NNC(=O)c3cc4ccccc4o3)cc2OC)cc1 254757092 XPBFJZLXYSZGLN-UHFFFAOYSA-N 486.524 5.603 50 10 JKGE COc1cc(C=NNC(=O)COc2ccc(Cl)cc2C)ccc1OCc1ccccc1Cl 256017321 FJWLQPSADMUIOZ-UHFFFAOYSA-N 473.356 5.419 50 10 JKGE CCN(C[C@](C)(CI)O[C@@H]1C[C@H](C)CC(C)(C)C1)C(=O)OC(C)(C)C 305729303 HFHKRGXWIQRMCZ-YRNRMSPPSA-N 467.432 5.669 50 10 JKGE COc1ccc([C@H](Br)c2sccc2I)cc1Br 379747125 AEAJXIHUJFTMAI-NSHDSACASA-N 487.982 5.608 50 10 JKGE O=C(OCc1ccccc1)N1C[C@H](c2cc(I)ccc2F)[C@@H](CCl)C1 382709477 GKZVXJWPARRVKA-YOEHRIQHSA-N 473.713 5.021 50 10 JKGE ClC[C@@H]1CN(Cc2ccccc2)C[C@H]1c1cc(Br)ccc1I 382727520 RMLRQODJELONFS-RHSMWYFYSA-N 490.610 5.508 50 10 JKGE ClCCc1nc2ccccc2n1-c1cc(Br)ccc1I 383628003 XMZUUDXPVFNUOV-UHFFFAOYSA-N 461.528 5.174 50 10 JKGE Cc1cc(F)c([C@@H](Br)c2cc(Br)c(Br)s2)cc1C 395770426 SSFTYLVTFQZCIG-GFCCVEGCSA-N 457.000 6.513 50 10 JKGE COc1cc(CC(CBr)(CBr)c2cccc(Br)c2)sn1 400571002 QKRWPLZEXJQHRE-UHFFFAOYSA-N 484.051 5.185 50 10 JKGE CC(C)=CCC/C(C)=C\C=NNC(=O)c1ccc(CN2C(=O)c3cccc4cccc2c34)cc1 606347261 RZPXNBAACKKRGM-HMTPVZECSA-N 451.570 6.409 50 10 JKGE COCc1nc(COc2c(Br)cc(Br)cc2CBr)cs1 694979774 UAIIIPDUTPSLMB-UHFFFAOYSA-N 486.023 5.288 50 10 JKGE C[C@H]1Cc2cc([C@@H](Br)c3scc(Br)c3Br)ccc2O1 705466388 PPNVWQDNZGBEKB-JVXZTZIISA-N 467.020 6.081 50 10 JKGE FC(F)(F)c1cscc1[C@@H](Br)c1cc(Br)c(Br)s1 717213395 UNUCKPLOFNAWIZ-MRVPVSSYSA-N 484.982 6.838 50 10 JKGE O=C(CSc1c(Cl)c(Cl)c(Cl)c(Cl)c1Cl)NN=Cc1ccc2ccccc2n1 1084045038 WTLWJWXYUSQPOZ-UHFFFAOYSA-N 493.630 6.744 50 10 JKGE O=C(NN=Cc1c(Cl)cccc1Cl)c1ccc([C@@H]2Nc3ccccc3[C@H]3C=CC[C@@H]32)cc1 1084106377 ZBOGLGXFOCHCQI-AOUJKTHWSA-N 462.380 6.584 50 10 JKGE C[C@@H](Sc1nnc(-c2ccccc2)n1-c1ccc(F)cc1)C(=O)C(C#N)=C1Nc2ccccc2N1 1087641284 BNYUSTOQQROQDI-MRXNPFEDSA-N 482.544 5.396 50 10 JKGE CC(C)(C)c1ccc([C@H]2C(C#N)=C(N)Oc3c2c(-c2ccccc2)nn3Cc2ccc(F)cc2)cc1 1865682403 NREADNQPLUTRTL-VWLOTQADSA-N 478.571 6.253 50 10 JKGE CN(C)c1ccc([C@@H]2C(C#N)=C(N)Oc3c2c(C(F)(F)F)nn3Cc2c(F)cccc2Cl)cc1 1865683380 KMKQMZHXGMUEOC-GOSISDBHSA-N 491.876 5.027 50 10 JKGE Cc1ccc(O)c([C@H]2C(C#N)=C(N)Oc3c2c(-c2ccccc2)nn3Cc2c(F)cccc2Cl)c1 1865687309 OFVATNPGTKKUSO-QHCPKHFHSA-N 486.934 5.623 50 10 JKGE CCCOc1ccc([C@@H]2C(C#N)=C(N)Oc3c2c(C)nn3-c2cccc(Cl)c2)cc1OCC 1865688000 GGPNTJNTUWWZMB-HSZRJFAPSA-N 464.953 5.240 50 10 JKGE CCCc1nn(Cc2cccc(Cl)c2)c2c1[C@@H](c1cc(Cl)ccc1O)C(C#N)=C(N)O2 1865689090 JQZSKTOBRWKELT-FQEVSTJZSA-N 455.345 5.114 50 10 JKGE C=CCOc1ccccc1[C@@H]1C(C#N)=C(N)Oc2c1c(C)nn2-c1ccc(Cl)c(Cl)c1 1865691283 OLVQFQNOFUEBPY-OAQYLSRUSA-N 453.329 5.271 50 10 JKGE CCc1ccc([C@H]2C(C#N)=C(N)Oc3c2c(C(F)(F)F)nn3Cc2ccc(Cl)cc2)cc1 1865708525 AOUNLBYRKKNJQA-SFHVURJKSA-N 458.871 5.384 50 10 JKGE C[C@H](CC(=O)N[C@H](C(=O)Nc1ccc(SC#N)cc1)c1ccccc1)c1ccc(Cl)cc1 1866716947 YWYNOLVMENLVNG-OSPHWJPCSA-N 463.990 5.903 50 10 JKGE N#C/C(=C(/O)c1c(Cl)ccc(Cl)c1Cl)c1nc(-c2ccc(Cl)c(Cl)c2)cs1 1872749419 QKYAHZPQMXWCSR-MFOYZWKCSA-N 476.599 8.027 50 10 JKGE CC(C)c1ccc(-c2csc(/C(C#N)=C(\O)CCN3C(=O)c4cccc([N+](=O)[O-])c4C3=O)n2)cc1 1872752157 PIZDONKOFZLBJI-UZYVYHOESA-N 488.525 5.321 50 10 JKGE CCCCCCOc1ccc(/C(O)=C(\C#N)c2nc(-c3ccc(OC)cc3OC)cs2)cc1 1872755236 DUUYCGUNXRKVPA-LVWGJNHUSA-N 464.587 6.736 50 10 JKGE Cc1ccc(C(C)(C)C)cc1-c1csc(/C(C#N)=C(\O)c2ccc(Cl)c([N+](=O)[O-])c2)n1 1872756406 YZNMGQBBDGRRQE-FXBPSFAMSA-N 453.951 6.928 50 10 JKGE CCOc1ccc(/C=C/C(O)=C(\C#N)c2nc(-c3ccc(OC)c(OC)c3OC)cs2)cc1 1872759638 UZSWFTJTVGIYPS-PTIIYSRDSA-N 464.543 5.741 50 10 JKGE COc1ccc(Cl)cc1-c1csc(/C(C#N)=C(\O)c2ccccc2I)n1 1872759704 XASFFJWMWOXZDG-JXAWBTAJSA-N 494.741 6.027 50 10 JKGE COc1cc(/C=C(\C#N)c2nc(-c3ccc(C)cc3)cs2)ccc1OCCc1ccccc1 1872790434 IIDRSRYWYDZBAX-LFVJCYFKSA-N 452.579 6.813 50 10 JKGE BrCC1(Cc2cccc(Br)c2Br)CC2(CCCO2)C1 1912579765 ZQOLPODMTVSOPX-UHFFFAOYSA-N 453.012 5.478 50 10 JKGE C[C@H](CCBr)N(Cc1ccccc1)Cc1ccc(I)cc1 1915104978 FNXHMLFBLITNPD-OAHLLOKOSA-N 458.181 5.467 50 10 JKGE O=S(=O)(c1c(Cl)cccc1Br)N(Cc1ccccc1)[C@H](CCl)C1CC1 1915145074 ZDMLXVRPNNJOPU-QGZVFWFLSA-N 463.224 5.311 50 10 JKGE O=C(c1cc(Cl)ccc1I)N(Cc1ccccc1)[C@@H](CCl)C1CC1 1915159446 OINFKTWCBPNCCJ-SFHVURJKSA-N 474.169 5.604 50 10 JKGE O=C(c1cccc(F)c1I)N(Cc1ccccc1)[C@H](CCl)C1CC1 1915204627 RCDMLALTQGHEJF-QGZVFWFLSA-N 457.714 5.090 50 10 JKGE Cc1c(Br)sc([C@@H](Br)C(C)(C)C(F)(F)F)c1Br 1922906619 LLGDJDMLRUGJKG-SSDOTTSWSA-N 458.963 6.606 50 10 JKGE Cc1c(Br)sc([C@H](Br)c2csc(C(F)(F)F)c2)c1Br 1922921384 QDYAJASCKIAAHT-MRVPVSSYSA-N 499.009 7.146 50 10 JKGE Cc1ccc([C@H](Br)c2sc(Br)c(C)c2Br)c(Cl)c1 1922955137 WOMALVPZBXJMGE-NSHDSACASA-N 473.455 7.028 50 10 JKGE CC12CC([C@H](Cl)c3c(Br)sc(Br)c3Br)(CO1)C2 1950600226 VVDQBAKVZVZOFF-CAZGOSDBSA-N 465.432 5.885 50 10 JKGE Brc1ccc([C@@H](Br)c2ccoc2Br)c(Br)c1 1994135608 PSDPICXORYINIQ-SNVBAGLBSA-N 473.784 6.051 50 10 JKGE Brc1cc([C@H](Br)c2ncn3ccsc23)sc1Br 2024756727 ZKFUEQHTBCILEY-ZETCQYMHSA-N 457.010 5.467 50 10 JKGE Fc1ccc([C@H](Cl)c2c(Br)cccc2Br)cc1Br 2033084391 PBFFGVVWNRWGMQ-ZDUSSCGKSA-N 457.362 6.441 50 10 JKGE COc1sc([C@@H](Br)c2cc(F)cc(Br)c2)cc1Br 2034629712 POWQIMLGRCVOKG-NSHDSACASA-N 458.972 5.905 50 10 JKGE Fc1cc2c(cc1I)nc(CCl)n2[C@H]1CC[C@H]1OCc1ccccc1 2038730562 VWPAYHALRPYVCR-FUHWJXTLSA-N 470.713 5.439 50 10 JKGE COc1ccc(N2C(=O)C(=Cc3ccc(-c4ccc(Br)cc4)o3)C(C)=C(C#N)C2=O)cc1 2040991912 VUDAKWCEHKCLEN-UHFFFAOYSA-N 489.325 5.515 50 10 JKGE FC1(F)CCOC[C@@H]1[C@@H](Cl)c1c(Br)sc(Br)c1Br 2047874956 RTKITNWKDQSYKN-CLZZGJSISA-N 489.401 5.987 50 10 JKGE Clc1c(Br)cccc1CC(CBr)(CBr)C1CCC1 2047990209 LGXKQBFKNXIQME-UHFFFAOYSA-N 459.447 6.221 50 10 JKGE Clc1cccc(Br)c1[C@H](Cl)c1c(Cl)sc(Br)c1Cl 2050317367 CSEMCSZFXZTQJT-QMMMGPOBSA-N 469.840 7.562 50 10 JKGE CC[C@@H](Br)CN(Cc1ccccc1)C(=O)c1cc(Br)ccc1[N+](=O)[O-] 2065844439 GWEZFEBALATJMH-CQSZACIVSA-N 470.161 5.173 50 10 JKGE Cc1ccc(C(F)(F)F)cc1Cn1nc(CBr)c(Br)c1C(F)(F)F 2079232973 JNJRBQZSMSKZEC-UHFFFAOYSA-N 480.044 5.935 50 10 JKGE Cc1cc([C@H](Br)c2ccc(Cl)c(Cl)c2)ccc1I 2086039846 QFIYWQJCERDFGB-AWEZNQCLSA-N 455.948 6.391 50 10 JKGE CC1(C)[C@H]2CC[C@@H](C2)[C@H]1[C@H](Br)c1cc(Br)ccc1Br 2090089333 WNRRHXFNMNTJJH-FCIDVOKBSA-N 451.040 6.720 50 10 JKGE BrCCC1(NCc2c(Br)cccc2Br)CCSCC1 2094102512 PXGIMLVXVFDXNI-UHFFFAOYSA-N 472.084 5.352 50 10 JKGE Fc1ccc(Oc2c(CBr)ccc(Br)c2Cl)cc1Br 2098116692 KFGRPGVQZLJDIZ-UHFFFAOYSA-N 473.361 6.691 50 10 JKGE Clc1nc(N2C[C@]34CCC[C@@]3(CN(Cc3ccccc3)C4)C2)sc1CBr 2099099953 XYJOHPFEQYCLHA-WOJBJXKFSA-N 452.849 5.184 50 10 JKGE Clc1cccc(Cl)c1C[C@@H](Br)c1cccc(Br)c1Br 2104779143 YOAKZFIVCXUZMF-LLVKDONJSA-N 487.844 7.197 50 10 JKGE Clc1c(Br)sc(Br)c1[C@@H](Br)[C@H]1C[C@@H]1c1ccccc1 2135284935 DPELMOBGZWKTFV-YWVKMMECSA-N 485.466 7.166 50 10 JKGE CC[C@H](CC(C)C)[C@@H](Br)c1c(C)c(Br)cc(C)c1Br 2136383443 GNIIFNMCQYLXRI-MLGOLLRUSA-N 455.072 7.337 50 10 JKGE Cc1c(Br)ccc([C@@H](Br)Cc2ccccc2F)c1Br 2138876227 NHQVDIGRDLXNAV-ZDUSSCGKSA-N 450.971 6.338 50 10 JKGE COc1ccc([C@@H](Br)c2ccc(I)c(C)c2)c(Cl)c1 2142141707 YAGREWUUOHMDOZ-HNNXBMFYSA-N 451.529 5.746 50 10 JKGE CCCC(CBr)(CCC)CN1CC=CCC12CN(C(=O)OCc1ccccc1)C2 2142786068 GCKGMBYMABHCCQ-UHFFFAOYSA-N 463.460 5.621 50 10 JKGE COc1cc(COc2c(Br)cc(Br)cc2CBr)ccn1 2166432557 SIXUPZSSPCVHCM-UHFFFAOYSA-N 465.967 5.089 50 10 JKGE COc1c(C)cc(Br)c(C)c1[C@@H](Br)c1cn(C)nc1Br 2173181505 DXMLKQWETHCXDZ-LBPRGKRZSA-N 466.999 5.055 50 10 JKGE CCc1cc([C@@H](Br)c2cc(Br)cc(Br)c2)c(F)cc1F 2175373346 HIASSPLZFIQSHV-HNNXBMFYSA-N 468.961 6.537 50 10 JKGE CCc1cc(CC)c([C@@H](Br)c2cc(I)sn2)c(CC)c1 2176540592 WATXCADIBUANMU-INIZCTEOSA-N 464.210 5.919 50 10 JKGE Cc1cc(Br)c(C)c([C@H](Br)c2c(F)cccc2F)c1Br 2201070624 NWJXKJAJLUMEPY-HNNXBMFYSA-N 468.961 6.591 50 10 JKGE CCC(CC)([C@H](Br)c1ccc(Br)c(C)c1Br)C(F)(F)F 2203684789 KQUUNYPBXFNOGQ-GFCCVEGCSA-N 480.988 7.325 50 10 JKGE Cc1c(Br)ccc([C@@H](Br)c2ccc3sccc3c2)c1Br 2203689950 YZVSLGPOPFCCCC-INIZCTEOSA-N 475.043 7.219 50 10 JKGE Fc1ccc(Br)c(CO[C@H](CBr)c2ccccc2Br)c1 2206272828 CFYGTIPWFAKSIU-OAHLLOKOSA-N 466.970 6.004 50 10 JKGE Cc1ccccc1C[C@H](CBr)Cc1ccc(I)c(Cl)c1 2208045871 SGHVUTVVDJIRCA-CQSZACIVSA-N 463.584 6.049 50 10 JKGE Brc1sc([C@@H]2CCCC[C@@H](Br)C2)c(Br)c1Br 2212189340 KBNXDQMRSNZRIA-RNFRBKRXSA-N 495.900 6.847 50 10 JKGE FC(F)CCC[C@@H](Br)c1c(Br)sc(Br)c1Cl 2212202125 FDSLCCNQWFKVLV-SCSAIBSYSA-N 461.391 6.798 50 10 JKGE Cl[C@H]1CN(C2CC2)C[C@@H]1c1sc(Br)c(Br)c1Br 2216421064 PNBWJYGSJBTTKD-BQBZGAKWSA-N 464.448 5.205 50 10 JKGE Clc1cc(Br)c([C@H](Cl)c2ccc(Br)s2)c(Cl)c1Cl 2217614627 ZHWXFWCOLVDYQP-SNVBAGLBSA-N 469.840 7.562 50 10 JKGE Cn1c([C@H](Br)c2cc(Br)c(Br)cc2F)cnc1Cl 2218595881 BIDUNCOTEINXRZ-SNVBAGLBSA-N 461.354 5.222 50 10 JKGE Cc1sc([C@H](Cl)c2c(Cl)sc(Br)c2Cl)c(C)c1Br 2218964998 LZIKYOGMQQWFGQ-SSDOTTSWSA-N 469.478 7.586 50 10 JKGE Clc1cc(Br)c([C@H](Br)CC[C@@H]2CCOC2)c(Cl)c1Cl 2224310292 GRNSFHOQTUZCPR-HTQZYQBOSA-N 451.413 6.662 50 10 JKGE Cc1ccc([C@H](Br)Cc2ccc(Cl)c(Cl)c2)cc1I 2224628822 FPRUMIPGURXFQG-GFCCVEGCSA-N 469.975 6.585 50 10 JKGE Fc1cc(F)c(C[C@H](Br)c2ccc(Br)cc2)c(Br)c1 2225597994 GLKAZYHPGKDIPW-LBPRGKRZSA-N 454.934 6.169 50 10 JKGE Cc1cc(Br)c([C@@H](Br)CC[C@H]2CCOC2)c(C)c1Br 2227358257 ZMSXQZMTDDESEM-RYUDHWBXSA-N 455.028 6.081 50 10 JKGE Cn1nc([C@@H](Br)Cc2ccc(Br)cc2Cl)c(Br)c1Cl 2229140666 NMXBHYULEBXZPQ-QMMMGPOBSA-N 491.836 5.931 50 10 JKGE Fc1ccc(Cl)c([C@@H](Br)c2c(Br)cc(Cl)c(Cl)c2Cl)c1 2232509263 BZUWHTQCUVISCR-LLVKDONJSA-N 481.801 7.686 50 10 JKGE FC1(F)CCCC[C@@H]1[C@H](Br)c1c(Br)cc(Cl)c(Cl)c1Cl 2232510549 HRLXLVYAHUONHV-LDWIPMOCSA-N 471.394 7.671 50 10 JKGE CCOCc1cc(Br)c([C@@H](Br)c2ccc(Br)cc2F)s1 2233017480 CCKLQXWVKHBWAX-ZDUSSCGKSA-N 487.026 6.433 50 10 JKGE CC[C@H](c1ccccc1)[C@@H](Br)c1cc(Br)c(Br)cc1F 2233976040 NGEHBDANPQUJGT-BDJLRTHQSA-N 464.998 6.981 50 10 JKGE Cc1ccc([C@@H](Br)c2c(Br)cc(C)c(Br)c2C)cc1F 2235604422 NNSCKTAXOSBSGX-MRXNPFEDSA-N 464.998 6.760 50 10 JKGE Cc1cc(Br)cc([C@H](Br)c2c(F)cc(F)c(Br)c2F)c1 2236113078 YTIACUHBANYUPD-LBPRGKRZSA-N 472.924 6.422 50 10 JKGE C[C@H](CBr)N(Cc1ccccc1)C(=O)c1scc(Br)c1Cl 2241236557 URXZTWWLSYEEOM-SNVBAGLBSA-N 451.611 5.590 50 10 JKGE Brc1ccc([C@@H](Br)c2cc3sc(Br)cc3s2)s1 2252900519 MCVVSKQHIOIODX-LLVKDONJSA-N 473.074 7.034 50 10 JKGE COCc1cc(Br)c([C@@H](Br)c2scc(Br)c2Cl)s1 2253597026 FFIBBUMAGYRFHC-MRVPVSSYSA-N 495.483 6.619 50 10 JKGE Fc1cc(Br)c(Br)cc1[C@H](Cl)c1cccc(Cl)c1Br 2267967972 QOHYFPOHWIHTDO-CYBMUJFWSA-N 491.807 7.095 50 10 JKGE C[C@H](C1CCCC1)[C@@H](Br)c1c(F)cc(Br)c(F)c1Br 2272843728 UMMFWKZUDXSKSU-JMCQJSRRSA-N 460.982 6.752 50 10 JKGE O=C(c1cc(Br)c(Br)s1)N1C[C@H](Br)C[C@@H]2CCCC[C@@H]21 2279557410 YYUSASLRDASRQZ-NGZCFLSTSA-N 486.067 5.441 50 10 JKGE Cc1cc(OCc2c(Br)cccc2Br)cc(C)c1CBr 2282781790 WZZVFCNEEQIAMG-UHFFFAOYSA-N 463.007 6.302 50 10 JKGE COc1ccc([C@@H](Br)c2cc(F)ccc2Br)c(Br)c1Cl 2283563607 OCSNNJGLDOGJHU-GFCCVEGCSA-N 487.388 6.497 50 10 JKGE COc1ccc([C@@H](Br)[C@H]2CCCCCC2(F)F)cc1I 2285007975 LMHHUVXIWVTVTO-BXUZGUMPSA-N 459.112 5.951 50 10 JKGE Fc1cc(Br)c(F)c(Br)c1[C@H](Br)c1cc2c(s1)CCC2 2288375454 DRGUPJJWORBWNZ-GFCCVEGCSA-N 487.001 6.524 50 10 JKGE CCc1ccc([C@@H](Br)c2c(F)cc(Br)c(F)c2Br)cc1 2288493640 VOTZJOJOXIUNIH-CYBMUJFWSA-N 468.961 6.537 50 10 JKGE Cn1ncc2cc([C@@H](Br)Cc3cc(Br)cc(Br)c3)sc21 2295329961 OXCRRTCCUKPDCA-LBPRGKRZSA-N 479.035 5.839 50 10 JKGE Brc1cc(Br)cc(C[C@H](Br)c2cc3ncccc3s2)c1 2295344901 FRJJIWOKIKXVBM-LBPRGKRZSA-N 476.031 6.500 50 10 JKGE N#CC(=Cc1cccc(OC(=O)c2cccc3ccccc23)c1)C(=O)Nc1cc(Cl)cc(Cl)c1 2295459742 TXQMJSPVMQHMHO-UHFFFAOYSA-N 487.342 6.911 50 10 JKGE CCCCSc1ccc(-c2nn(-c3ccccc3)cc2C=C(C#N)C(=O)NC[C@@H]2CCCO2)cc1 2296731249 IWEDNUGKLLLFGC-VWLOTQADSA-N 486.641 5.634 50 10 JKGE C[C@]1(C(F)F)C[C@H]1[C@H](Br)c1cc(Br)ccc1OCc1ccccc1 2299524356 CKUDGKOJUACVSJ-WDYCEAGBSA-N 460.156 6.755 50 10 JKGE Brc1cc(OCc2ccccc2)ccc1[C@@H](Br)[C@H]1CCCOCC1 2299535205 MNJHEFXJDQPLPY-JXFKEZNVSA-N 454.202 6.281 50 10 JKGE Cc1cc(Cl)ccc1[C@H](Br)c1ccc(OCc2ccccc2)cc1Br 2314450195 XGRZXQLYBNHFCT-NRFANRHFSA-N 480.627 7.474 50 10 JKGE N#CC(=Cc1c2ccccc2cc2ccccc12)c1nc(O)c2cc(Br)ccc2n1 2314499103 IYZJWHKHUBWSIM-UHFFFAOYSA-N 452.311 6.468 50 10 JKGE Cc1ccc(-c2ccc(C=C(C#N)C(=O)Nc3ccc(OC(F)(F)F)cc3)o2)c([N+](=O)[O-])c1 2314571336 DWBQTTOFEQBQON-UHFFFAOYSA-N 457.364 5.608 50 10 JKGE COc1cc(C=C2C(=O)N([C@@H](C)c3ccccc3)C(=O)C(C#N)=C2C)ccc1OCc1ccc(C)cc1 2314618475 OFKQCGGEJBXDIN-QFIPXVFZSA-N 492.575 5.936 50 10 JKGE CC(C)(C)[C@@H]1CC[C@@H]1[C@H](Cl)c1c(Br)sc(Br)c1Br 2320102880 VKAWEGMMVTZFTB-PJKMHFRUSA-N 479.503 7.388 50 10 JKGE COc1cc(C=C(C#N)c2ccc(Cl)cc2)ccc1OC(=O)c1cccc(Br)c1 2320506692 PIVATEFRHOVFOR-UHFFFAOYSA-N 468.734 6.394 50 10 JKGE COc1cc(C=C(C#N)c2ccc(Cl)cc2)ccc1OC(=O)C=Cc1ccc([N+](=O)[O-])cc1 2320506740 QKPVEFSVWQAHSR-UHFFFAOYSA-N 460.873 5.940 50 10 JKGE Clc1nccc(Oc2ccc(Br)cc2Br)c1CBr 2321489103 CXVFSJSSBUZPEF-UHFFFAOYSA-N 456.359 5.947 50 10 JKGE N#CC(=C(O)C=Cc1ccc(Cl)c(Cl)c1)c1nc(-c2ccc(Cl)cc2Cl)cs1 2331250991 FMJBKEGRXIZPLG-UHFFFAOYSA-N 468.192 7.930 50 10 JKGE CCCCc1ccc(-c2csc(C(C#N)=C(O)[C@H]3CC(=O)N([C@H](C)c4ccccc4)C3)n2)cc1 2331255997 MLSCTQKRUWYZBP-XXBNENTESA-N 471.626 6.555 50 10 JKGE N#CC(=C(O)c1cccc(Oc2ccccc2)c1)c1nc(-c2cccc(Br)c2)cs1 2331278859 OZMAIFJKLOXWEW-UHFFFAOYSA-N 475.367 7.315 50 10 JKGE COc1cc(C=CC(O)=C(C#N)c2nc(-c3cccc(Br)c3)cs2)cc(OC)c1OC 2331279265 CWYGDRKESJTASL-UHFFFAOYSA-N 499.386 6.104 50 10 JKGE N#CC(=C(O)Cc1ccc(OCc2ccccc2)cc1)c1nc(-c2ccc3c(c2)OCO3)cs1 2331332990 KBHMPUOXRSEUBS-UHFFFAOYSA-N 468.534 6.153 50 10 JKGE COc1ccc(-c2csc(C(C#N)=C(O)C(=Cc3ccccc3)c3ccccc3)n2)cc1F 2331337106 YFZIZXSYRZFWNZ-UHFFFAOYSA-N 454.526 6.991 50 10 JKGE CC(C)c1ccc(-c2csc(C(C#N)=C(O)CCCCCNC(=O)c3ccccc3)n2)cc1 2331342962 IMFMDPYMSFHFJJ-UHFFFAOYSA-N 459.615 6.717 50 10 JKGE COc1ccc(C=CC(O)=C(C#N)c2nc(-c3cc(Cl)cc(Cl)c3OC)cs2)c(OC)c1 2331362577 CWKGZAAGPDWSQL-UHFFFAOYSA-N 489.380 6.649 50 10 JKGE COc1ccc(OCC(O)=C(C#N)c2nc(-c3cc(C)c(Cl)cc3OC)cs2)c(C(C)(C)C)c1 2331390580 PTHWZLVKYKGPKM-UHFFFAOYSA-N 499.032 6.958 50 10 JKGE COc1c(Cl)cc(-c2csc(C(C#N)=C(O)C34CC5CC(CC(C5)C3)C4)n2)cc1Cl 2331398025 VQAIZWMWGMVWKW-UHFFFAOYSA-N 461.414 7.135 50 10 JKGE COc1ccc(Cl)cc1-c1csc(C(C#N)=C(O)c2cccc(Oc3ccccc3)c2)n1 2331411025 FWBAUBXXTBJLAA-UHFFFAOYSA-N 460.942 7.214 50 10 JKGE CCOc1cc(C=C(C#N)c2nc(-c3ccccc3Cl)cs2)ccc1OCc1ccccc1C 2331430496 ASVWCVJFIPGGSF-UHFFFAOYSA-N 487.024 7.814 50 10 JKGE Cc1cc(Br)c(C)c([C@H](Br)[C@H]2CC[C@@H]3C[C@@H]3C2)c1Br 2332925235 BXEKTWHFCQFLSI-AZKPJATDSA-N 451.040 6.701 50 10 JKGE CC1(C)[C@H]2CO[C@]1([C@@H](Br)Cc1cc(Br)cc(Br)c1)C2 2335066732 RBQAHFXBGDCABQ-DGFSRKRXSA-N 453.012 5.333 50 10 JKGE Cc1cc(F)c([C@H](Br)c2c(Br)c(Br)nn2C)cc1Cl 2338860017 IUHUCYOBRYGHNX-VIFPVBQESA-N 475.381 5.530 50 10 JKGE CC(C)(C)OC(=O)N1CCC[C@](CI)(OC[C@H]2C[C@H]3CCC[C@H]2CC3)C1 2338901034 WEJJIIAJIHUQBM-LXGFNABISA-N 477.427 5.424 50 10 JKGE Cc1cc(I)c(OC[C@](C)(CBr)C(C)(C)C)cc1Cl 2352094038 QEOZCILXSWKVQS-HNNXBMFYSA-N 459.593 6.079 50 10 JKGE CC1(C)[C@H]2CO[C@]1([C@@H](Br)c1c(F)cc(Br)c(F)c1Br)C2 2359836060 NVCICRPWMHRYPD-UHYRQXHGSA-N 474.965 5.741 50 10 JKGE CCOc1ccc(Br)cc1[C@@H](Cl)c1c(Br)c(Br)nn1C 2364229034 UVWUCEKTDIBFTJ-LLVKDONJSA-N 487.417 5.435 50 10 JKGE Cc1cc(Br)c(F)c(Br)c1[C@H](Br)C1CCC2(CC1)CC2 2365184464 DYPMQXCOOZWQOK-CYBMUJFWSA-N 469.030 7.066 50 10 JKGE Cc1cc(Br)c(F)c(Br)c1[C@@H](Br)C1(F)CC2(CCC2)C1 2365192588 CVFPWFMPLTUMPK-CYBMUJFWSA-N 472.993 6.768 50 10 JKGE Fc1cc(F)c(CCl)c(OCc2cc(I)ccc2Br)c1 2367519397 HRZQSIXPWIUZPB-UHFFFAOYSA-N 473.482 5.650 50 10 JKGE Cc1cc(Br)c(C(C)C)cc1[C@H](Cl)c1cc(Br)c(Cl)s1 2380934303 IGRBSFCKJOHWEN-AWEZNQCLSA-N 457.058 7.687 50 10 JKGE CCc1cc(Br)c(OC)c([C@@H](Cl)c2ccccc2I)c1 2381248185 UIGUNZRVXKCIAK-HNNXBMFYSA-N 465.556 5.953 50 10 JKGE COc1ccc(OCc2ccc(/C=N/NC(=O)c3cccc(NC(=O)c4ccc(F)cc4)c3)o2)cc1 9695059 DMHXOBTXNFZWHK-MUFRIFMGSA-N 487.487 5.023 50 10 JKGE C=CCOc1c(Br)cc(/C=C(/C#N)C(=O)N[C@H](C)c2ccccc2)cc1Br 15945122 ZPJWOWAJNFQABW-AYCSXLNKSA-N 490.195 5.561 50 10 JKGE COc1ccc(NC(=O)/C(C#N)=C2/S[C@@H](Cc3ccc(C)cc3)C(=O)N2c2ccccc2)cc1 33915017 VEVDPZUVYFCVIQ-BSSRNLCFSA-N 469.566 5.069 50 10 JKGE CCCOc1cccc(-c2nn(-c3ccccc3)cc2/C=C2/C(=O)N(C(C)C)C(=O)C(C#N)=C2C)c1 38604400 OIGKGVILCUOAMO-PCLIKHOPSA-N 480.568 5.329 50 10 JKGE N#CC1=C(N)Oc2cc(OC(=O)c3ccc(Cl)cc3)ccc2[C@@H]1c1cccc2ccccc12 38657656 YCFKCFLRBCDAJS-VWLOTQADSA-N 452.897 5.931 50 10 JKGE C=CCOc1ccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4ccccc4OCCCC)ccc32)cc1 38658267 IEBRWEOSPDJADR-NDEPHWFRSA-N 496.563 5.868 50 10 JKGE COc1cccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4oc5ccc(Cl)cc5c4C)ccc32)c1 38687325 QIHUOLTYCHHTMS-XMMPIXPASA-N 486.911 5.841 50 10 JKGE Cc1cc(Cl)ccc1NC(=O)c1oc2c(c1C)/C(=N/NC(=O)c1ccc(F)cc1)CCC2 40811894 JWWPIOTZCAGHQR-TURZUDJPSA-N 453.901 5.412 50 10 JKGE COc1cc(/C=C(\C#N)c2ccc(Cl)cc2)ccc1OC(=O)COc1cccc(C(C)C)c1 40877038 QXPMHSVDPVRTHE-LPYMAVHISA-N 461.945 6.521 50 10 JKGE COc1cc(/C=N/NC(=O)c2ccc(-n3c(C)ccc3-c3ccccc3)cc2)ccc1OC(C)C 59305456 CRCQUGLRBPSBKJ-NDZAJKAJSA-N 467.569 6.012 50 10 JKGE Cc1ccc(C)c(OCCCC(C)(C)C(=O)NNC(=O)[C@@H](C)Oc2ccc(Cl)cc2Cl)c1 66201423 BNBFZPXXQHNPHQ-QGZVFWFLSA-N 481.420 5.410 50 10 JKGE O=[N+]([O-])c1cc(Br)c(OCC2(CBr)CCCC2)c(Br)c1 96870107 DVFPGYLNAVIMIC-UHFFFAOYSA-N 471.971 5.454 50 10 JKGE N#C/C(=C/Nc1cc(C(F)(F)F)ccc1Cl)c1nc(-c2ccc(Br)cc2)cs1 100406197 JIQJVKWDOSIIKR-XFXZXTDPSA-N 484.728 7.221 50 10 JKGE CCCCCCCCOc1ccc(/C=C2/C(=O)N(Cc3ccco3)C(=O)C(C#N)=C2C)cc1OC 101336853 ANFGPNATKCSBCK-XQNSMLJCSA-N 476.573 5.820 50 10 JKGE CCCOc1cccc([C@H](Br)c2cc(Br)sc2Br)c1 104038584 YPHGYXPTOFVRTO-ZDUSSCGKSA-N 469.036 6.546 50 10 JKGE Cc1ccc(C)c(N/C(SCc2ccccc2Cl)=C(\C#N)S(=O)(=O)c2ccccc2)c1 104689440 OHJCZDRVELZHBQ-VHXPQNKSSA-N 469.031 6.469 50 10 JKGE Cl[C@@H](c1ccc(I)cc1)c1cc(Br)c(Br)s1 128160046 ONDRQFZDAUAOIM-JTQLQIEISA-N 492.401 6.206 50 10 JKGE COc1cc([C@@H](Br)c2ccc(Cl)c(Cl)c2)c(OC)cc1Br 134301281 QCEQQOCOJXKLLF-HNNXBMFYSA-N 454.973 6.257 50 10 JKGE Fc1cc([C@H](Br)c2csc3c(Br)cccc23)c(F)cc1Cl 167734240 LLQHXKZPKTUGNZ-AWEZNQCLSA-N 452.545 7.080 50 10 JKGE Fc1cc([C@H](Cl)c2ccc(I)c(Cl)c2)c(F)cc1Br 232344103 YOMIPOOZKXAWOJ-CYBMUJFWSA-N 477.901 6.314 50 10 JKGE Cc1cc([C@@H](Br)c2ccc(Br)cc2Br)sc1Cl 235864212 JPQDFJXIYAYKPN-NSHDSACASA-N 459.428 6.719 50 10 JKGE C[C@@H]1[C@@H](NC(=O)[C@@H](c2ccc(F)cc2)N(CCC2=CCCCC2)C(=O)CCl)CCC[C@H]1C 252586640 RNGNMFXNBXJGQH-JWZJQSSYSA-N 463.037 5.766 50 10 JKGE Cc1ccc([C@H](C(=O)N[C@@H]2CCC[C@@H](C)[C@H]2C)N(Cc2ccccc2Cl)C(=O)CCl)cc1 252586821 SWGOBJYYRGBTBO-AMZPDFMZSA-N 475.460 5.898 50 10 JKGE Cc1cc(C)c2c(-n3cccc3)c(C(=O)NN=Cc3cccn3-c3cccc([N+](=O)[O-])c3)sc2n1 254496449 ZSPVOZLDZIRRBD-UHFFFAOYSA-N 484.541 5.167 50 10 JKGE Cc1ccc(COc2ccc(C(=O)NN=Cc3cccc(OCc4ccccc4)c3)cc2)cc1 254721484 OIFIYXDTDOTEEP-UHFFFAOYSA-N 450.538 5.917 50 10 JKGE COc1ccc(C=NNC(=O)c2cc3ccccc3cc2O)cc1COc1ccc(F)cc1F 254846343 WTXWMOMUPBOLGV-UHFFFAOYSA-N 462.452 5.175 50 10 JKGE Br[C@H]1C[C@H]2C3C[C@H](Br)[C@H](Br)CC2[C@H]3C[C@@H]1Br 309551726 LSPRBBUUWUVAOF-IZXJOHHSSA-N 479.876 5.106 50 10 JKGE C[C@H](Cl)c1nc2cc(I)c(F)cc2n1[C@H]1CCN(Cc2ccccc2)C1 311648538 SYJVQIMVYLZDCM-ZFWWWQNUSA-N 483.756 5.527 50 10 JKGE C[C@@H]([C@H]1CCN(Cc2ccccc2)C1)n1c(CCl)nc2cc(I)ccc21 311659822 NQIQISRKWGKYPS-RDJZCZTQSA-N 479.793 5.463 50 10 JKGE CCOc1ccc([C@H](Br)c2ccc(OCc3ccccc3)cc2)c(Br)c1 311898719 PZGDTSRRVZDVTJ-JOCHJYFZSA-N 476.208 6.911 50 10 JKGE COc1ccccc1COc1c(Br)cc(Br)cc1CBr 312429740 AOBSDNGREJYTRH-UHFFFAOYSA-N 464.979 5.694 50 10 JKGE Cc1cc(F)c([C@@H](Br)c2ccc(F)cc2I)cc1Cl 395555429 CZYJEIKCQOSAEC-AWEZNQCLSA-N 457.483 6.016 50 10 JKGE Cc1ccc(Br)cc1[C@H](Br)c1c(Br)cc(F)c(F)c1F 398741371 QUKSXDSLCVYRCJ-LBPRGKRZSA-N 472.924 6.422 50 10 JKGE Cc1ccc([C@H](Br)c2cc(Cl)c(Cl)c(Cl)c2Cl)c(Br)c1 404666178 VDNBAZBTGRAMRP-NSHDSACASA-N 477.838 7.855 50 10 JKGE CC(C)(C)OC(=O)NCCN1CCC[C@@H](c2ccc(CCO[Si](C)(C)C(C)(C)C)cc2)C1 616619224 CZVBDVRGZJJRND-HSZRJFAPSA-N 462.751 5.955 50 10 JKGE COCc1cc(Br)c([C@H](Br)Cc2ccc(Br)cc2)s1 688144193 IUIHKPKCQYCEQI-GFCCVEGCSA-N 469.036 6.098 50 10 JKGE Cc1ccc([C@H](Br)c2ccc(F)c(Br)c2F)cc1Br 691638228 YOUMIXCIGWQVTI-LBPRGKRZSA-N 454.934 6.283 50 10 JKGE Cl[C@@H](Cc1ccccc1Br)c1cc(I)cc2c1OCC2 692448049 IWJCNBXJHGPVCX-HNNXBMFYSA-N 463.540 5.511 50 10 JKGE Cc1cc(Br)c([C@@H](Br)c2cc(C)c(F)c(C)c2)cc1Br 702237446 XUIIUDCDGBFYIG-HNNXBMFYSA-N 464.998 6.760 50 10 JKGE CC1(C)Cc2cc([C@@H](Br)c3scc(Br)c3Br)ccc2O1 705467855 XTDNCYNLXJNVIA-GFCCVEGCSA-N 481.047 6.471 50 10 JKGE COc1cc(Br)c([C@@H](Br)c2occc2Br)cc1OC 711260463 ZXWHUQSXDXGXPK-GFCCVEGCSA-N 454.940 5.306 50 10 JKGE FC(F)(F)c1cccc(Cl)c1[C@@H](Br)c1cc(Cl)c(Br)s1 712581392 RJKYIKFQQFEZIY-JTQLQIEISA-N 468.947 7.321 50 10 JKGE C[C@H]1CCN(Cc2ccccc2)C[C@@H]1n1c(CCl)nc2cc(I)c(F)cc21 716299256 JZSOYURNJNMDKL-XOBRGWDASA-N 497.783 5.602 50 10 JKGE CC(C)(C)c1ccc([C@H](Cl)c2ccc(I)c(Br)c2)s1 721607626 ZUYFCWPHVGKQLL-CQSZACIVSA-N 469.613 6.741 50 10 JKGE Cc1ccc(CSCC(=O)NN=Cc2cc(C)n(-c3cc(Cl)ccc3Cl)c2C)cc1 725432313 RPVJUNJNEQIALM-UHFFFAOYSA-N 460.430 6.093 50 10 JKGE O=C(COc1cccnc1NC(=O)Oc1ccc([N+](=O)[O-])cc1F)Nc1ccc(Cl)c(Cl)c1 1858683408 NWMPKCBDEBJWMV-UHFFFAOYSA-N 495.250 5.064 50 10 JKGE CCCCOc1ccc([C@@H]2C(C#N)=C(N)Oc3c2c(C(F)(F)F)nn3-c2ccc(C)cc2)cc1 1865690401 QJBKTOCSUBWDIJ-HXUWFJFHSA-N 468.479 5.597 50 10 JKGE CCCCCOc1ccc([C@@H]2C(C#N)=C(N)Oc3c2c(-c2ccccc2)nn3CC)cc1OCC 1865691061 IGXZIQSHIMBBJS-XMMPIXPASA-N 472.589 5.756 50 10 JKGE CCc1nn(-c2ccccc2)c2c1[C@H](c1ccc(OCc3ccc(Cl)cc3)cc1)C(C#N)=C(N)O2 1865695720 RXZPXMQGTVMVMQ-RUZDIDTESA-N 482.971 5.885 50 10 JKGE COc1ccc(-c2nn(Cc3cccc(F)c3)c3c2[C@H](c2ccc(F)cc2F)C(C#N)=C(N)O3)cc1 1865701800 FVFXYBWNTIDXCS-HSZRJFAPSA-N 488.469 5.242 50 10 JKGE N#CC1=C(N)Oc2c(c(-c3ccccc3)nn2-c2cccc(Cl)c2)[C@@H]1c1ccc(C(=O)O)cc1 1865708879 IEHSSDRYLNPBTL-OAQYLSRUSA-N 468.900 5.109 50 10 JKGE COc1ccc(-c2nn(-c3ccc(Cl)cc3)c3c2[C@H](c2ccc(OC)cc2)C(C#N)=C(N)O3)cc1 1865712804 ILKKRUVSHUPADY-HSZRJFAPSA-N 484.943 5.428 50 10 JKGE C/C(=C\c1ccccc1)C(=O)N[C@@H](Cc1ccc(F)cc1)C(=O)Nc1ccc(SC#N)cc1 1866809168 CXXBAPODHCTYOR-UFIOJNINSA-N 459.546 5.168 50 10 JKGE N#C/C(=C(O)\C=C\c1ccc(OCc2ccccc2)cc1)c1nc(-c2ccccc2Cl)cs1 1872745852 GPBNGINAYORLAX-JKOZVUPWSA-N 470.981 7.549 50 10 JKGE COc1ccc(C/C(O)=C(\C#N)c2nc(-c3ccc(Br)cc3)cs2)c(OC)c1 1872746360 DHKSVNQCNKWPJZ-ZPHPHTNESA-N 457.349 5.625 50 10 JKGE CC(C)Oc1ccc(/C=C(C(/O)=C(\C#N)c2nc(-c3ccc(F)cc3)cs2)\c2ccccc2)cc1 1872752158 PJCQBAVGGHLRNN-KUEQOBMBSA-N 482.580 7.770 50 10 JKGE CCc1cccc(C)c1N1C[C@@H](/C(O)=C(\C#N)c2nc(-c3c(C)c(C)cc(C)c3C)cs2)CC1=O 1872754094 BZWHZKMYHHFRJN-NIFLQSGPSA-N 485.653 6.760 50 10 JKGE COc1cc(Cl)c(C)cc1-c1csc(/C(C#N)=C(\O)c2cc([N+](=O)[O-])ccc2Cl)n1 1872756841 CVVONWHLDUQIOL-RGEXLXHISA-N 462.314 6.292 50 10 JKGE CCCCOc1ccc(/C=C(\C#N)c2nc(-c3ccc(OC)c4ccccc34)cs2)cc1OCC 1872795173 RFRNKSJFOQYAGA-LTGZKZEYSA-N 484.621 7.614 50 10 JKGE C[C@H](Cl)c1nc2cc(I)ccc2n1CC1CC(Br)C1 1887928452 LIICHCVNOUSBHZ-IDKOKCKLSA-N 453.549 5.114 50 10 JKGE CC(C)(SC[C@H]1C[C@H]1Cl)[C@@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)O 1893108432 SHKJYOZSEOWWHY-IFZYUDKTSA-N 459.995 5.117 50 10 JKGE CC(C)(C)OC(=O)NCCCN(Cc1ccccc1)C[C@](C)(CBr)C(C)(C)C 1893560716 FKIPPVGMSNEJEM-QHCPKHFHSA-N 455.481 5.851 50 10 JKGE Fc1cc(Br)c2nc(CCl)n(C[C@H]3CCCN(Cc4ccccc4)C3)c2c1 1912668436 GONJUOWFHXEUQD-INIZCTEOSA-N 450.783 5.589 50 10 JKGE CC[C@@H](Br)CN(Cc1ccccc1)C(=O)c1cccc(C)c1I 1915075569 GMNIWSQULIHUML-MRXNPFEDSA-N 486.191 5.416 50 10 JKGE CC(C)[C@H](CCl)N(Cc1ccccc1)C(=O)c1cc(Br)sc1Br 1915257242 JUOINPPNKAPFJA-AWEZNQCLSA-N 479.665 6.179 50 10 JKGE CC(C)[C@H](CCl)N(Cc1ccccc1)S(=O)(=O)c1ccc(Br)cc1Cl 1915272304 WMJNTRNZZOAAPK-KRWDZBQOSA-N 465.240 5.557 50 10 JKGE O=C(c1cc(Br)ccc1F)N(Cc1ccccc1)[C@@H](CBr)C1CC1 1915312223 JQWQLWDQFQQSQW-SFHVURJKSA-N 455.165 5.404 50 10 JKGE Clc1c(Br)sc(Br)c1[C@@H](Br)CC(C1CC1)C1CC1 1923050149 QUSYZAXBGRCBLU-VIFPVBQESA-N 477.487 7.189 50 10 JKGE CC1(C)C(C)(C)C1(C)[C@@H](Br)c1c(Br)sc(Br)c1Cl 1923065360 BHLKSQVYRKHNJY-QMMMGPOBSA-N 479.503 7.435 50 10 JKGE CC1(C)CCC[C@@H]1[C@@H](Br)c1c(Br)sc(Br)c1Cl 1923071379 IPDXTXLYCLWWEN-HTRCEHHLSA-N 465.476 7.189 50 10 JKGE COc1ccc([C@@H](Cl)c2c(Br)sc(Br)c2Br)cc1F 1924595822 FIQYZECJQYUQNU-SNVBAGLBSA-N 493.417 6.512 50 10 JKGE COc1sc([C@H](Br)c2scc(C)c2Br)cc1Br 1950882210 RDTOWVZDIRLEAD-VIFPVBQESA-N 461.038 6.136 50 10 JKGE Clc1cc(Br)cnc1CN(Cc1ccccc1)[C@@H](CBr)C1CC1 1986200259 CPQPRNTUHFLGIH-SFHVURJKSA-N 458.625 5.673 50 10 JKGE Cc1c(Br)sc([C@H](Br)C(C)(C)CC(F)F)c1Br 2015996853 JKALAONUCHYEBB-VIFPVBQESA-N 455.000 6.699 50 10 JKGE Brc1cc([C@H](Br)c2sccc2I)cc2c1OCC2 2030021650 ODRDOAZGDIULBO-NSHDSACASA-N 499.993 5.534 50 10 JKGE Clc1c(Br)cccc1Oc1cccc(Br)c1CBr 2040201984 CRDFFPQTBPWGQE-UHFFFAOYSA-N 455.371 6.552 50 10 JKGE Clc1cccc(Br)c1[C@@H](Cl)c1cc(Br)ccc1Br 2050313276 SMDJCVAWJFHBMR-ZDUSSCGKSA-N 473.817 6.956 50 10 JKGE Cc1nc([C@@H](Br)c2cc(Cl)c(Br)cc2F)c(Br)s1 2050330449 CPXNYRZIWFYTER-VIFPVBQESA-N 478.406 6.253 50 10 JKGE Cc1cc(Br)c(C(=O)NC[C@H]2C[C@@H](Br)C2)cc1NC(=O)OC(C)(C)C 2076195628 ZCKDWPRZHUPEJD-TXEJJXNPSA-N 476.209 5.008 50 10 JKGE Fc1cc(Br)c([C@H](Cl)c2cscc2OCc2ccccc2)c(F)c1Cl 2081842688 DQGPNCSEEKXJHP-MRXNPFEDSA-N 464.158 7.349 50 10 JKGE Cc1cc(Cl)c([C@H](Br)c2cccc(Br)c2Br)cc1C 2092328597 NCBFYLOJXVWIFY-CQSZACIVSA-N 467.426 6.966 50 10 JKGE Cc1ccc(Br)cc1[C@@H](Br)c1cc(Br)c(Cl)cc1F 2097834000 HSNFYTRXVRXTJD-CQSZACIVSA-N 471.389 6.797 50 10 JKGE CN(CC1CCN(Cc2ccccc2)CC1)c1c(CCl)ccc(Br)c1Cl 2098118957 YJIXLSYAERDUGN-UHFFFAOYSA-N 456.255 6.190 50 10 JKGE Cc1cc(Br)c([C@H](Br)C2CC(CC3CC3)C2)cc1Br 2113044467 FCRSZWRCYOAMFG-ZEPSKSRBSA-N 451.040 6.782 50 10 JKGE FC1(F)CCC[C@@H]2[C@H]([C@H](Br)c3c(Cl)sc(Br)c3Cl)[C@H]21 2114390841 CDTSJXOUTOKJHK-ZILMGAKASA-N 454.989 6.935 50 10 JKGE C[C@@H](c1cccs1)N(Cc1ccccc1)S(=O)(=O)C1CCC(CBr)CC1 2123253870 GDLIJHRJVQHGTP-MUYFXNHWSA-N 456.471 5.595 50 10 JKGE COC[C@@H]1CC[C@@H](Cc2c(Br)cccc2Br)C[C@@H]1Br 2127210600 NMXZYLUBPXUORF-PGUXBMHVSA-N 455.028 5.580 50 10 JKGE COc1cc(F)c([C@H](Br)c2cc(Br)c(Cl)s2)cc1Br 2138148963 VBDKDGNCIUKMGN-NSHDSACASA-N 493.417 6.559 50 10 JKGE Cc1c(Br)ccc([C@@H](Br)c2cc3c(s2)CCC3)c1Br 2138848356 AOVSFQNIPUBCOE-OAHLLOKOSA-N 465.048 6.555 50 10 JKGE Cc1cc(Br)c([C@H](Cl)c2ccc(Br)cc2Br)cc1Cl 2138860249 DNSZCVKARAFTTM-CQSZACIVSA-N 487.844 7.264 50 10 JKGE BrCc1cc(Br)c(OC[C@@H]2CC[C@H]3C[C@H]2CO3)c(Br)c1 2144243057 VASUSRLZVAUTHV-SRVKXCTJSA-N 469.011 5.300 50 10 JKGE COc1cc(Br)c(C)cc1[C@H](Br)c1ccc(Br)c(Cl)c1 2145957762 RGDFVRPSJAYCDS-OAHLLOKOSA-N 483.425 6.666 50 10 JKGE Fc1cc2c(cc1I)nc(CCCl)n2C1CC(COCc2ccccc2)C1 2149052924 VUOMOJMEMLFJAI-UHFFFAOYSA-N 498.767 5.729 50 10 JKGE Cc1cc(Br)cc(CCl)c1OCc1c(Br)cccc1Br 2150488674 OUEBCMIPPPTIMP-UHFFFAOYSA-N 483.425 6.600 50 10 JKGE CN(c1c(CCl)ccc(Br)c1Cl)C1C[C@@H]2CC[C@H](C1)N2Cc1ccccc1 2154374454 XBIDQFOQYZODFG-DFNIBXOVSA-N 468.266 6.473 50 10 JKGE COc1cc(Br)c([C@@H](Br)c2cc(C)sc2Br)cc1OC 2157247382 DBCDKQIDAKSTCQ-CYBMUJFWSA-N 485.035 6.083 50 10 JKGE CC(C)(C)OC(=O)NCCCN(CCCCCCCCCBr)CC(F)(F)F 2163064032 SHSDJLWCRONJEF-UHFFFAOYSA-N 461.407 5.891 50 10 JKGE Brc1cccc(CN2C[C@@H](Br)C3(CCCCC3)C2)c1Br 2174369955 AGGJAYSQONCQFQ-CQSZACIVSA-N 466.055 5.741 50 10 JKGE Cc1c(Br)sc([C@@H](Br)C23CC(C2)[C@H](C(F)(F)F)O3)c1Br 2193090502 FLZSSNGPXIISGN-JQLZSVONSA-N 498.984 6.127 50 10 JKGE Clc1cccc(C(CBr)(CBr)Cc2cc(Cl)sc2Cl)c1 2195408252 YJHKCTAUPBCCKY-UHFFFAOYSA-N 477.476 6.979 50 10 JKGE COc1cc(Br)c([C@H](Br)[C@H]2C[C@@H](Br)C2)c(OC)c1OC 2196896280 MKTCEPNPKQKGSV-RGNHYFCHSA-N 472.999 5.084 50 10 JKGE COc1cc(C)c([C@@H](Br)c2ccc(Br)c(C)c2)cc1Br 2198736598 GHJSIAOUKXQBFI-INIZCTEOSA-N 463.007 6.321 50 10 JKGE COc1cc2c(cc1Br)nc([C@@H](C)Cl)n2[C@H](C)CN(C)Cc1ccccc1 2202311978 MOBURAJXBMHQQK-HUUCEWRRSA-N 450.808 5.800 50 10 JKGE Cc1c(Br)ccc([C@H](Br)c2cc3c(s2)CCCC3)c1Br 2203683255 GUNTXODBLYPFIZ-INIZCTEOSA-N 479.075 6.945 50 10 JKGE Cc1c(Br)ccc([C@@H](Br)[C@@H]2Cc3ccccc3O2)c1Br 2203686754 OEUUEDMAVGFNMO-GOEBONIOSA-N 460.991 5.960 50 10 JKGE COc1c(Br)cc(C)cc1[C@@H](Br)c1cc(Cl)ccc1Br 2203829583 KNEGNEOLHUQENU-AWEZNQCLSA-N 483.425 6.666 50 10 JKGE CCn1ncc(Br)c1[C@H](Br)c1cc(C)cc(Br)c1OC 2203839622 PRGNEVRUGMWDIO-GFCCVEGCSA-N 466.999 5.229 50 10 JKGE Cc1sc(Br)c(C)c1[C@H](Br)c1ccc(I)cc1 2213634752 GDMBIIYBEJLOGT-GFCCVEGCSA-N 486.010 6.216 50 10 JKGE CCc1cc(Br)c([C@H](Br)c2sc(C)cc2Br)s1 2215943661 RYEMQLNTWUKPEK-SNVBAGLBSA-N 459.066 6.690 50 10 JKGE O=S(=O)(Cc1cccc(Br)c1)N(Cc1ccccc1)C1(CBr)CCC1 2218987804 PXSRTCQEHLIQAP-UHFFFAOYSA-N 487.257 5.099 50 10 JKGE Cc1sc([C@H](Br)c2c(C)sc(Br)c2C)c(Br)c1C 2221833166 ARYAWYJYEXLNSC-LLVKDONJSA-N 473.093 7.053 50 10 JKGE Brc1c([C@@H](Br)c2sccc2I)ccc2c1CCO2 2222191566 VTHKCQJTQCQSPA-GFCCVEGCSA-N 499.993 5.534 50 10 JKGE COc1cc(F)cc([C@H](Br)c2ccc(Br)cc2Br)c1 2226033890 ZGAMGYAPPNHUSV-AWEZNQCLSA-N 452.943 5.844 50 10 JKGE O=C(Nc1ccc(Cl)cc1CBr)c1csc(Br)c1Br 2231143718 FPRUUJQSBDAIKM-UHFFFAOYSA-N 488.426 6.074 50 10 JKGE FC1(F)[C@@H]2COC[C@]21[C@@H](Br)c1c(Br)cc(Cl)c(Cl)c1Cl 2232514022 SRKHRZXAUGCTFY-LIEZGIJOSA-N 471.350 6.127 50 10 JKGE CCCN[C@@H](c1c(Br)cc(C)c(Br)c1C)[C@H]1C[C@H](Br)C1 2235603767 KPNCMZXCQHTJOT-XHBSWPGZSA-N 468.071 6.043 50 10 JKGE Cc1ccc(I)c([C@H](Br)c2cc(F)c(F)c(F)c2F)c1 2240997891 VZVHECFEFYAFDC-NSHDSACASA-N 459.018 5.640 50 10 JKGE CCCCc1ccc([C@@H](Br)c2cc(Br)c(Br)s2)s1 2253419517 OQVYUMLJABZKKN-GFCCVEGCSA-N 473.093 7.162 50 10 JKGE Fc1cc(Br)c(F)c(Br)c1[C@@H](Cl)c1nscc1Br 2260082554 DSEABPAQNSDNPC-MRVPVSSYSA-N 482.369 6.037 50 10 JKGE Cc1cc(Br)sc1[C@H](Br)c1cc(Br)cc(C(C)C)c1 2265957176 ZDERHSXOOPGXQF-CQSZACIVSA-N 467.064 7.189 50 10 JKGE COc1ccc([C@H](Br)c2csc(Br)c2Br)c(OC)c1 2271515096 YSPUDVYFQQLHKP-NSHDSACASA-N 471.008 5.775 50 10 JKGE COc1ccc([C@@H](Br)c2c(C)nn(C)c2Br)c(Br)c1Cl 2283555405 WTPYDNLZWYDDRH-SNVBAGLBSA-N 487.417 5.400 50 10 JKGE COc1cc(C=C(C#N)C(=O)Nc2ccc(NC(C)=O)cc2)ccc1OCc1ccc(Cl)cc1 2295459777 XBIPMWLYWQMXCQ-UHFFFAOYSA-N 475.932 5.432 50 10 JKGE COc1ccc(C=C(C#N)C(=O)N2N=C3C(=Cc4ccccc4)CCC[C@H]3[C@H]2c2ccccc2)cc1 2296793017 WBSOGOCKXCLARZ-PQHLKRTFSA-N 473.576 6.425 50 10 JKGE Cc1ccc(C[C@@H]2SC(=C(C#N)C(=O)Nc3ccc(C)cc3)N(c3ccc(Cl)cc3)C2=O)cc1 2296834856 SMWCKOIIQANTRS-DEOSSOPVSA-N 488.012 6.022 50 10 JKGE N#CC(=Cc1ccc(I)cc1)c1nc(-c2cc3ccccc3oc2=O)cs1 2297449601 HVNNJCFUBMMINB-UHFFFAOYSA-N 482.302 5.585 50 10 JKGE N#CC(=Cc1c(OCc2ccc(Cl)cc2Cl)ccc2ccccc12)C(=O)Nc1ccc(F)cc1 2297506223 FSMJMSJZWFHFQU-UHFFFAOYSA-N 491.349 7.410 50 10 JKGE C[C@@H]1CCC[C@@H]([C@H](Br)c2cc(Br)ccc2OCc2ccccc2)C1 2299522425 KYMOSWAJKCODBI-CEQIKUNHSA-N 452.230 7.290 50 10 JKGE CC1(C)CC(C)([C@H](Br)c2ccc(OCc3ccccc3)cc2Br)C1 2299534457 DIGPIEQKZWBRHX-LJQANCHMSA-N 452.230 7.290 50 10 JKGE CCN(C[C@](C)(CI)O[C@@H](CC1CC1)C1CC1)C(=O)OC(C)(C)C 2303851026 YMBIRNFDIAEQML-LPHOPBHVSA-N 451.389 5.032 50 10 JKGE Brc1ccc(OCc2ccccc2)c([C@H](Br)C2[C@H]3[C@H]4CC[C@@H](C4)[C@H]23)c1 2314450126 WGBZOINTDSTTFC-IXWVJFEVSA-N 462.225 6.756 50 10 JKGE Brc1cc(OCc2ccccc2)ccc1[C@H](Br)[C@H]1CCCC2(CC2)C1 2314456136 USIJDNFEUHPFPZ-LAUBAEHRSA-N 464.241 7.435 50 10 JKGE Clc1cc(I)c([C@@H](Br)C2C[C@H]3COC[C@H](C2)C3)s1 2316772964 VDKIKVNDDVFHEX-UBJUHAIHSA-N 461.590 5.505 50 10 JKGE Clc1ccc([C@@H](Cl)c2c(Cl)sc(Cl)c2Cl)c(I)c1 2317774128 OMQVZCFDTSTPIY-MRVPVSSYSA-N 472.389 7.295 50 10 JKGE C[C@@H]1CC2CC([C@@H](Br)c3ccc(OCc4ccccc4)cc3Br)(C2)O1 2319526935 XKWBIYXQIIZUGH-JKBVPHPISA-N 466.213 6.422 50 10 JKGE C[C@H]1C[C@H](Br)[C@H](C)CN1Cc1ccc(I)c(Br)c1 2325208139 UFLPHDPPNBNWSO-SCVCMEIPSA-N 487.017 5.048 50 10 JKGE N#CC(=C(O)CCCN1C(=O)c2ccccc2C1=O)c1nc(-c2ccc(-c3ccccc3)cc2)cs1 2331231865 MQLQWBPIDGMTQV-UHFFFAOYSA-N 491.572 6.346 50 10 JKGE COc1ccc(OCCCC(O)=C(C#N)c2nc(-c3ccc(Cl)cc3Cl)cs2)cc1 2331254627 HGOBPUTZGHFBPC-UHFFFAOYSA-N 461.370 6.777 50 10 JKGE CCCCc1ccc(-c2csc(C(C#N)=C(O)c3ccc(N4CCOCC4)c([N+](=O)[O-])c3)n2)cc1 2331256628 IBKPJABPEBTAIH-UHFFFAOYSA-N 490.585 5.847 50 10 JKGE CCOc1ccc(-c2csc(C(C#N)=C(O)CCc3ccc(OCC)c(OC)c3)n2)cc1 2331305718 LQXAERHFUXNZQU-UHFFFAOYSA-N 450.560 6.042 50 10 JKGE CC[C@H](C)[C@@H](C(O)=C(C#N)c1nc(-c2ccc(C(C)C)cc2)cs1)N1C(=O)c2ccccc2C1=O 2331342946 HKXUIWHATIJYPK-XDHUDOTRSA-N 485.609 6.437 50 10 JKGE COc1cc(C=C(C#N)c2nc(-c3ccccc3)cs2)ccc1OCc1ccc(Cl)cc1 2331439901 CBEBWENMIHLWNN-UHFFFAOYSA-N 458.970 7.115 50 10 JKGE CCOc1c(Br)cc(C=C(C#N)c2nc(-c3ccc(C(C)C)cc3)cs2)cc1OC 2331456738 YXWRZAXCPHZYTP-UHFFFAOYSA-N 483.431 7.167 50 10 JKGE COc1ccc(-c2csc(C(C#N)=Cc3ccc(OCc4ccc(Cl)cc4)cc3)n2)c(OC)c1 2331473222 KJPSKTNWOAJWCC-UHFFFAOYSA-N 488.996 7.124 50 10 JKGE Cc1cc(Br)c(C)c([C@@H](Br)[C@@H]2COCC2(C)C)c1Br 2336199410 CCEJIXYVGGHEEZ-HZMBPMFUSA-N 455.028 5.937 50 10 JKGE Clc1ccc(COc2ccc(CBr)c(Cl)c2)c(I)c1 2340114165 DIRDYQGZGFGXFL-UHFFFAOYSA-N 471.947 6.072 50 10 JKGE Brc1cc(OCc2ccccc2)ccc1[C@H](Br)[C@@H]1CC[C@@H]2CCCC[C@H]2C1 2361200039 GEKQIYOUIXDMCS-PWSZPPJVSA-N 492.295 8.071 50 10 JKGE Fc1c(Br)cc(Cl)c([C@H](Br)C2CCC3(CC2)CC3)c1Br 2362234996 JVGGIBGKMKHEGU-GFCCVEGCSA-N 489.448 7.411 50 10 JKGE Cc1cc([C@H](Br)c2c(C)cc(Br)c(F)c2Br)ccc1F 2365180085 RBHNVAPYHDTNEI-ZDUSSCGKSA-N 468.961 6.591 50 10 JKGE Cc1cc(Br)c(F)c(Br)c1[C@H](Br)C[C@H]1C[C@H]1C(F)(F)F 2365192483 CLGHYHGERMRIQW-BWZBUEFSSA-N 482.935 6.684 50 10 JKGE Cc1c(Br)ccc([C@H](Cl)c2c(Cl)cc(F)cc2Cl)c1Br 2366404845 INKQLMDKIXWFMR-AWEZNQCLSA-N 461.383 7.294 50 10 JKGE Cc1cc(Br)c(C)c([C@H](Br)C23CC(C[C@@H](C)O2)C3)c1Br 2368126906 WMZDTIXMRHZYIT-RZOJGRSVSA-N 467.039 6.222 50 10 JKGE CCc1cc(Br)c(OC)c([C@@H](Br)c2cc(C)c(Br)s2)c1 2381251736 KLQJFXIOIOIGNB-CYBMUJFWSA-N 483.063 6.637 50 10 JKGE Cc1cc([C@@H]2C(C#N)=C(N)N(c3cccc(Cl)c3C)C3=C2C(=O)CC(C)(C)C3)c(C)s1 9982259 QQECPJGBKLQNBW-JOCHJYFZSA-N 452.023 6.268 50 10 JKGE CCc1ccc(NC(=O)CS/C(Nc2ccccc2)=C(\C#N)C(=O)Nc2ccc(Cl)cc2)cc1 12500481 VMYTXOOOGZVAAD-WNAAXNPUSA-N 491.016 6.060 50 10 JKGE C=CCNC(=O)/C(C#N)=C\c1cn(-c2ccccc2)nc1-c1ccc(OCc2ccccc2F)cc1 15229544 GPPRRQJKZGXHGU-QJOMJCCJSA-N 478.527 5.467 50 10 JKGE C/C(=N\NC(=O)[C@@H]1C[C@H]1c1ccc(C(C)(C)C)cc1)c1cccc(NC(=O)c2cccc(F)c2)c1 20157910 WQTXVJPUASVZAC-UGQXXUITSA-N 471.576 6.019 50 10 JKGE N#C/C(=C/c1c(Oc2ccc(Cl)cc2Cl)nc2ccccn2c1=O)c1nc2ccccc2s1 33905356 GJUSCLFHWVGOFW-KAMYIIQDSA-N 491.359 6.467 50 10 JKGE Cc1ccc(N2C(=O)CS[C@@H]2c2cccc(NC(=O)[C@H](Cl)c3ccccc3)c2)cc1F 35928631 VFGKFAFAJJTNDR-ISKFKSNPSA-N 454.954 5.831 50 10 JKGE COc1cccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4ccc(Cl)cc4Cl)ccc32)c1 38650162 FKVDIJUNWAWLOQ-QFIPXVFZSA-N 467.308 5.439 50 10 JKGE COc1cccc(C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@@H]3c2ccc(Cl)c(Cl)c2)c1 38655684 XEIVWJFORUFDRB-JOCHJYFZSA-N 467.308 5.439 50 10 JKGE CCCCOc1ccccc1C(=O)Oc1ccc2c(c1)OC(N)=C(C#N)[C@@H]2c1cccc2ccccc12 38657946 GUEJYYZUSUVCPF-GDLZYMKVSA-N 490.559 6.456 50 10 JKGE Cc1ccc(C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@@H]3c2cccc(Oc3ccccc3)c2)cc1 38660740 OXOHMQVKYSBGHS-MUUNZHRXSA-N 474.516 6.225 50 10 JKGE CCc1ccc(OCC(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@@H]3c2ccc(SC)cc2)cc1 38682545 YLPRYLWZKPHIHA-AREMUKBSSA-N 472.566 5.173 50 10 JKGE CCCCCOc1cccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4cccc(C)c4)ccc32)c1 38684757 VIQMBHXLDWCFML-MHZLTWQESA-N 468.553 6.001 50 10 JKGE CCCCCOc1ccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)COc4ccc(C)cc4)ccc32)cc1 38685314 TVXXPGMNADOPEG-LJAQVGFWSA-N 498.579 5.767 50 10 JKGE Cc1ccc2oc(C(=O)Oc3ccc4c(c3)OC(N)=C(C#N)[C@H]4c3c(F)cccc3Cl)c(C)c2c1 38700613 HFPZFWZKKSRLBS-QHCPKHFHSA-N 488.902 6.280 50 10 JKGE CCOc1cc(/C=N\NC(=O)CC[C@@H](O)c2ccccc2)cc(Cl)c1OCc1ccccc1 58891359 OKIIZEQYVMLNSD-TYNJROEQSA-N 466.965 5.282 50 10 JKGE Cc1ccc(Cl)cc1NC(=O)/C(C#N)=C/c1cccc(OCc2ccc(Cl)cc2Cl)c1 59297204 NMBZDNGTBZSXMP-GIJQJNRQSA-N 471.771 7.080 50 10 JKGE COc1ccc([N+](=O)[O-])cc1-c1ccc(/C=C(\C#N)C(=O)Nc2cccc(Cl)c2Cl)o1 59336404 OBZBVDRLVOOYII-FMIVXFBMSA-N 458.257 5.716 50 10 JKGE O=C(N/N=C(/CSc1nc2ccccc2s1)c1ccc2ccccc2c1)c1cccnc1 59460750 OYUYLGKYIQPVPP-SLMZUGIISA-N 454.580 5.771 50 10 JKGE CC(C)(C)c1ccc(C(=O)N/N=C2\C(=O)N(Cc3c(Cl)cccc3Cl)c3ccccc32)cc1 59471819 DOWNSHQFSNREHB-FAJYDZGRSA-N 480.395 5.972 50 10 JKGE C[C@@H]1C[C@@H](N(C(=O)NCCCl)c2ccccc2)c2ccccc2N1C(=O)c1ccc(Cl)cc1 72441408 MDKZETIEWYQUSI-HOYKHHGWSA-N 482.411 6.275 50 10 JKGE Cc1ccc([C@@H](C(=O)NC2CCCCC2)N(CCc2ccccc2Cl)C(=O)CCl)cc1 97914435 BFQVSTNRXDRIQY-DEOSSOPVSA-N 461.433 5.449 50 10 JKGE Cc1cccnc1NC(=O)[C@@]12CC[C@@](C(Br)Br)([C@@H]1Br)C2(C)C 100922054 YFBCBUARUBLGRB-KNXALSJPSA-N 495.053 5.014 50 10 JKGE CC(C)c1ccc(N2C(=O)[C@@H](Cc3ccccc3)S/C2=C(/C#N)C(=O)Nc2ccccc2)cc1 101244460 BQUPZLVALCWBHP-IEQIIXMPSA-N 467.594 5.875 50 10 JKGE CCCCCCCCCCCCCCCCNc1ncnc(NNC(=O)c2cccnc2)c1N 101531870 JYBJFXAMVKMECV-UHFFFAOYSA-N 469.678 6.104 50 10 JKGE COc1ccc([C@@H](Br)c2cccc(I)c2)c2ccccc12 109838853 JUQMFGYVOLCXOB-SFHVURJKSA-N 453.117 5.937 50 10 JKGE Clc1ccsc1[C@@H](Br)c1cc(Br)c(Br)s1 128883178 IMPVVUOSDBVJRR-ZETCQYMHSA-N 451.430 6.472 50 10 JKGE CCOc1ccc(/C=C(/C#N)C(=O)Nc2scc(-c3ccc4c(c3)CCCC4)c2C(=O)OC)cc1 207207334 SCGVJABIHYVFRL-HMAPJEAMSA-N 486.593 6.025 50 10 JKGE CC(C)N(/C=C(/C#N)C(=O)N1CCN(C(c2ccccc2)c2ccccc2)CC1)Cc1ccccc1 216487930 XUGNIYNAQFPLJU-OLFWJLLRSA-N 478.640 5.238 50 10 JKGE COc1ccc([C@@H](Br)c2ccc(Br)c(F)c2)c(OC)c1Br 224853381 FUWVFQXTVPBPHB-ZDUSSCGKSA-N 482.969 5.852 50 10 JKGE O=C(NC[C@H]1CCCC[C@@H]1CBr)c1cc(Br)sc1Br 232461640 ZFZHUVHYQSEMRI-RKDXNWHRSA-N 474.056 5.204 50 10 JKGE Brc1ccc([C@@H](Br)c2ccc3c(c2)CCCC3)c(Br)c1 232484154 IKPDKECEAZLVTP-KRWDZBQOSA-N 459.019 6.575 50 10 JKGE Cc1cc(Br)c([C@H](Cl)c2cc(Cl)ccc2Br)cc1Br 235823670 UDTRZXOFHXJXBA-CQSZACIVSA-N 487.844 7.264 50 10 JKGE CC(C)CCC[C@@H](C)[C@@H]1CC[C@@H]2[C@H]3CC([N+](=O)[O-])=C4C[C@@H](Cl)CC[C@]4(C)[C@@H]3CC[C@@]12C 253531979 AARKHEFUGCKAGW-DLWPBGPGSA-N 450.107 8.240 50 10 JKGE CCCOc1ccc(/C=C(\NC(=O)c2ccccc2)C(=O)NN=C(C)c2ccc3ccccc3c2)cc1 254397764 CONTTYJYNALHKE-UCXGGHLKSA-N 491.591 5.940 50 10 JKGE CC(=NNC(=O)c1cc(-c2ccc(C(C)C)cc2)nc2ccccc12)c1ccc(OC(C)C)cc1 254400041 YZRHLXOHBDPBKS-UHFFFAOYSA-N 465.597 6.966 50 10 JKGE CC(C)[C@H]1CC[C@]2(C)CC[C@]3(C)[C@H](CC[C@@H]4[C@]3(C)CC[C@@H]3C(C)(C)C(=O)OC(=O)C[C@@]34C)[C@@H]12 254518846 FGIQVZRHSAAMRL-LGNXQUNWSA-N 456.711 7.424 50 10 JKGE CCOc1cc(C=NNC(=O)NC2CCCCC2)ccc1OCCOc1ccc(C)c(C)c1 254705778 BYXGHZQZFALQGP-UHFFFAOYSA-N 453.583 5.126 50 10 JKGE Cc1nn(-c2ccccc2)c(Oc2ccc(F)cc2)c1C=NNC(=O)c1cc2c(s1)CC[C@@H](C)C2 254804373 YQDAYYPMBYIPQT-QGZVFWFLSA-N 488.588 6.062 50 10 JKGE Cc1ccc(COc2ccc(C(=O)NN=Cc3ccc(OC(=O)c4ccccc4F)cc3)cc2)cc1 254816508 HOEBTAXUUAAGNX-UHFFFAOYSA-N 482.511 5.696 50 10 JKGE Cc1cc(C=NNC(=O)CSc2nc3ccccc3o2)c(C)n1-c1cc(Cl)cc(Cl)c1 263627692 ITQPNEGLAONVSG-UHFFFAOYSA-N 473.385 5.785 50 10 JKGE N#C/C(=C1\CCCN(C(=O)OCc2ccccc2)C1)c1ccc(I)cc1 309731943 SGTLDBRERYYJFE-ZZEZOPTASA-N 458.299 5.001 50 10 JKGE C[C@@H]1C[C@@H](O[C@@]2(CI)CCCN(C(=O)OC(C)(C)C)C2)CC(C)(C)C1 310598122 VRQZUYHLTZWEDW-JXXFODFXSA-N 465.416 5.423 50 10 JKGE O=C(CN(Cc1ccccc1)Cc1ccccc1)Nc1ccc(-c2nc(CCl)cs2)cc1 380068270 JSLBTCIJPPXUPM-UHFFFAOYSA-N 462.018 6.190 50 10 JKGE Cc1ccc([C@H]2CN(C(=O)OCc3ccccc3)C[C@@H]2CCl)cc1I 382702917 PWJRXYQQOJYTGD-ZWKOTPCHSA-N 469.750 5.191 50 10 JKGE Cc1cc([C@@H](Br)c2cc(Cl)ccc2I)c(C)cc1F 386437845 OFIBOYXORAVMSN-OAHLLOKOSA-N 453.520 6.185 50 10 JKGE ClCc1cc(Br)cc(Br)c1OCc1ncc(Br)s1 713718997 YILQLDDISLAWHY-UHFFFAOYSA-N 476.415 5.748 50 10 JKGE C[C@@H]1Cc2cc(Br)cc([C@@H](Br)c3ccc(OCc4ccccc4)cc3)c2O1 720047735 ZMTMWKONYGKRIV-QRQCRPRQSA-N 488.219 6.836 50 10 JKGE O=C(NN=Cc1ccc(OCc2c(Cl)cccc2Cl)cc1)C(=O)Nc1ccccc1Cl 1084116037 SJNLBKWEHXYKRQ-UHFFFAOYSA-N 476.747 5.315 50 10 JKGE Cc1cc(C=NNC(=O)CSCc2ccc([N+](=O)[O-])cc2)c(C)n1-c1ccc(Cl)cc1Cl 1084429408 FYKGFEOYKKIGKJ-UHFFFAOYSA-N 491.400 5.693 50 10 JKGE Cc1ccc(NC(=O)/C(C#N)=C/c2ccc(OCc3ccc4c(c3)OCO4)c(Br)c2)cc1 1084495524 BKVWYPGYHJROBC-VXLYETTFSA-N 491.341 5.611 50 10 JKGE Cc1c(Cl)cccc1NC(=O)/C(C#N)=C\c1cn(Cc2cccc(Cl)c2)c2ccccc12 1084567451 ZZNWORAEKVYVDN-UYRXBGFRSA-N 460.364 6.851 50 10 JKGE C=CCc1cc(C=NNC(=O)c2ccc(-n3c(C)ccc3-c3ccccc3)cc2)ccc1OCC 1084579825 VHQPLVZHLNEFFZ-UHFFFAOYSA-N 463.581 6.344 50 10 JKGE CCCCCOc1ccc(C=NNC(=O)CSc2nc(-c3ccc(Cl)cc3)cs2)cc1 1772754918 XDALCDGXSSGDIB-UHFFFAOYSA-N 474.051 6.275 50 10 JKGE CN(C)c1ccc([C@H]2C(C#N)=C(N)Oc3c2c(-c2ccccc2)nn3Cc2cccc(Cl)c2)cc1 1865683780 PJLRWMADEUHZCF-DEOSSOPVSA-N 481.987 5.536 50 10 JKGE CCOc1cc([C@@H]2C(C#N)=C(N)Oc3c2c(C(F)(F)F)nn3CC)ccc1OCc1ccc(C)cc1 1865687927 DFVMEGVLJHKPCJ-OAQYLSRUSA-N 498.505 5.426 50 10 JKGE COc1cc([C@H]2C(C#N)=C(N)Oc3c2c(C)nn3Cc2ccccc2)ccc1OCCc1ccccc1 1865688013 GLWQJYNPDKZLMT-NDEPHWFRSA-N 492.579 5.088 50 10 JKGE CCOc1cccc([C@H]2C(C#N)=C(N)Oc3c2c(-c2ccc(OC)cc2)nn3Cc2ccccc2F)c1 1865690597 WOGPDRHNEJTOTM-VWLOTQADSA-N 496.542 5.363 50 10 JKGE N#CC1=C(N)Oc2c(c(C(F)(F)F)nn2-c2ccccn2)[C@@H]1c1ccc(OCc2ccccc2)cc1 1865690669 YODVTRMSOXATNH-OAQYLSRUSA-N 489.457 5.083 50 10 JKGE C=CCOc1ccccc1[C@@H]1C(C#N)=C(N)Oc2c1c(-c1ccccc1)nn2-c1ccc(C)cc1 1865691574 VVIAKCWCBNVAJW-RUZDIDTESA-N 460.537 5.631 50 10 JKGE CCc1nn(-c2ccccn2)c2c1[C@@H](c1ccc(OCc3ccc(Cl)cc3)cc1)C(C#N)=C(N)O2 1865695902 VKVBSZAFUBFEAE-DEOSSOPVSA-N 483.959 5.280 50 10 JKGE N#CC1=C(N)Oc2c(c(-c3ccccc3)nn2-c2ccc(Cl)cc2)[C@H]1c1ccc2c(c1)OCCO2 1865698431 TUTTUJKYABTVPU-QHCPKHFHSA-N 482.927 5.182 50 10 JKGE COc1cccc([C@H]2C(C#N)=C(N)Oc3c2c(-c2ccccc2)nn3Cc2ccc(C)cc2)c1OC 1865701280 RIDOJBMPXQFAJE-DEOSSOPVSA-N 478.552 5.142 50 10 JKGE CC(C)Oc1ccccc1[C@@H]1C(C#N)=C(N)Oc2c1c(-c1ccccc1)nn2Cc1cccc(Cl)c1 1865704850 GAFJAFGXZUXYNH-RUZDIDTESA-N 496.998 6.257 50 10 JKGE CCc1nn(-c2cccc(Cl)c2)c2c1[C@H](c1ccc(OC(=O)c3ccccc3)cc1)C(C#N)=C(N)O2 1865705341 SSFZXZHNUUVWJX-XMMPIXPASA-N 496.954 5.525 50 10 JKGE CSCC[C@H](NC(=O)[C@H](C)c1ccc(Br)cc1)C(=O)Nc1ccc(SC#N)cc1 1866944665 SLPGHBIEFYBHRZ-KUHUBIRLSA-N 492.464 5.002 50 10 JKGE CCC[C@@H](NC(=O)[C@@H](C)c1ccc(Br)cc1)C(=O)Nc1ccc(SC#N)cc1 1866946028 KHPUGZXMEAWGQP-IFXJQAMLSA-N 460.397 5.049 50 10 JKGE CC[C@](C)(NC(=O)CCc1nc(-c2ccc(OC)cc2)cs1)C(=O)Nc1ccc(SC#N)cc1 1867072607 YTORVZBNCGABIU-VWLOTQADSA-N 494.642 5.248 50 10 JKGE N#CSc1ccc(NC(=O)CNC(=O)C[C@H](c2ccccc2)c2ccc(Br)cc2)cc1 1868159633 BLINLGQUFBIJII-JOCHJYFZSA-N 494.414 5.299 50 10 JKGE N#CSc1ccc(Nc2cc(N3CCc4ccc([N+](=O)[O-])cc43)nc(Cc3ccccc3)n2)cc1 1868207392 MAYBKEXXMBUEGV-UHFFFAOYSA-N 480.553 5.987 50 10 JKGE COCCc1nc(Nc2ccc(SC#N)cc2)cc(N2CCS[C@H](c3ccc(OC)cc3)C2)n1 1868253280 FBMRWHDPWYILAH-QFIPXVFZSA-N 493.658 5.285 50 10 JKGE N#C/C(=C(/O)COc1cc(Cl)ccc1Cl)c1nc(-c2ccc(Br)cc2)cs1 1872746701 UJOGUCZWRTYHDS-VKAVYKQESA-N 482.186 6.751 50 10 JKGE COc1ccccc1-c1csc(/C(C#N)=C(\O)[C@H](CC(C)C)N2C(=O)c3ccccc3C2=O)n1 1872746927 GCFICAIDIMPXNY-HFBCPUAESA-N 473.554 5.322 50 10 JKGE COc1ccc(OC/C(O)=C(\C#N)c2nc(-c3ccc(F)c(F)c3)cs2)c(C(C)(C)C)c1 1872751457 IPTBTTQXMUONTD-PGMHBOJBSA-N 456.514 6.266 50 10 JKGE COc1ccc(/C=C(C(/O)=C(\C#N)c2nc(-c3c(C)cc(C)cc3C)cs2)\c2ccccc2)cc1 1872757089 PZPNXJAAANXGFI-BLOQDEJMSA-N 478.617 7.777 50 10 JKGE N#C/C(=C\c1ccc(OCc2ccccc2Cl)cc1)c1nc(-c2c[nH]c3ccccc23)cs1 1872791984 YBWRLSHQXJOWGE-DEDYPNTBSA-N 467.981 7.588 50 10 JKGE N#C/C(=C\c1cc(Br)ccc1O)c1nc(-c2cc(Cl)ccc2Cl)cs1 1872795237 VEXBUNVUUYQJHY-VZUCSPMQSA-N 452.160 6.649 50 10 JKGE Cc1nn(C)c([C@H](Br)c2cc(Br)c(Cl)cc2F)c1Br 1877181465 UFJDCEKBFANDOZ-LLVKDONJSA-N 475.381 5.530 50 10 JKGE CC[C@@H]1C[C@@H]1C[C@H](Br)c1c(Br)sc(Br)c1Br 1902829947 XPKXOSUXRXFOFQ-QYNIQEEDSA-N 495.900 6.908 50 10 JKGE C[C@H](CCBr)N(Cc1ccccc1)c1ncc(Br)cc1C(F)(F)F 1915086984 PLKJXQYNSKGJTH-GFCCVEGCSA-N 466.139 6.043 50 10 JKGE Cc1cc([C@@H](Br)c2cc(Br)c3c(c2)CCCO3)oc1Br 1917603410 CLQXHCNIQOETSE-ZDUSSCGKSA-N 464.979 5.922 50 10 JKGE Clc1c(Br)sc(Br)c1[C@@H](Br)[C@@H]1C[C@H]2CC[C@H]1O2 1923047184 AXUQMHGENIDLEO-UNGCPHIMSA-N 465.432 5.930 50 10 JKGE C[C@@H](C[C@H](Br)c1c(Br)sc(Br)c1Cl)C(F)(F)F 1923062837 SWDYGCYUQFEFOH-IMJSIDKUSA-N 479.381 6.951 50 10 JKGE Cl[C@H](c1c(Br)sc(Br)c1Br)C1CC2(CCCO2)C1 1924568811 LWJUBPQNLYDXGR-HTARLIKDSA-N 479.459 6.275 50 10 JKGE CC1(C)CCCC[C@H]1[C@H](Cl)c1c(Br)sc(Br)c1Br 1924591741 UEZSRXRKNMSISF-XVKPBYJWSA-N 479.503 7.532 50 10 JKGE O=C(NC[C@H]1CCC2(CCC2)[C@H]1Br)c1cc(Br)sc1Br 1924806016 TWPYLBHODYSYIH-KCJUWKMLSA-N 486.067 5.347 50 10 JKGE Cc1cc([C@H](Br)Cc2ccccc2I)sc1Br 1940445131 JBJQSBSRAKHYDT-SNVBAGLBSA-N 486.010 6.102 50 10 JKGE Cc1cnc(C(=O)N(Cc2ccccc2)[C@@H](CBr)C(C)C)c(Br)c1 2022058964 SXFYOESYVWEABJ-KRWDZBQOSA-N 454.206 5.214 50 10 JKGE Cc1cc(Br)c(C)c([C@@H](Br)[C@H]2C[C@@H](Br)C2)c1Br 2022975250 ZOKMCGCCQXEKTN-RWEMILLDSA-N 489.871 6.438 50 10 JKGE CCCCC[C@H](CC)O[C@@](C)(CI)CN(CC)C(=O)OC(C)(C)C 2026329592 STPIZUIYQHHGAN-LPHOPBHVSA-N 455.421 5.813 50 10 JKGE CCOc1ccc([C@H](Br)c2sncc2Br)c(Br)c1 2028525753 WMTBDVCAUGLNDD-NSHDSACASA-N 455.997 5.551 50 10 JKGE CCc1cc(Br)c([C@@H](Cl)c2cccc(F)c2I)s1 2029232546 JPLZWAQENQMCKU-NSHDSACASA-N 459.549 6.145 50 10 JKGE Cl[C@H](CC1CC2(CCC2)C1)c1c(Br)sc(Br)c1Br 2037981278 APGOWEILJBEINV-MRVPVSSYSA-N 477.487 7.286 50 10 JKGE ClCCc1nc2cc(I)ccc2n1[C@@H]1CC[C@@H]1OCc1ccccc1 2038730915 YCKGLWRTVFXXPK-MOPGFXCFSA-N 466.750 5.343 50 10 JKGE C[C@H](NCCSSCCNC(=O)OC(C)(C)C)c1cc(Br)ccc1F 2061264498 QDZHSMLBIQOFHT-LBPRGKRZSA-N 453.443 5.145 50 10 JKGE CC12CCC([C@@H](Br)c3cc(Br)c(Br)s3)(CC1)CO2 2069712940 UNNOXQQXZONCIF-PKSQDBQZSA-N 459.041 6.058 50 10 JKGE COc1cc(C)c([C@@H](Br)c2ncsc2Br)cc1Br 2078009595 LLNIWGVHPWUBRY-SNVBAGLBSA-N 455.997 5.469 50 10 JKGE COc1c(C)cc(Br)cc1[C@@H](Br)c1cscc1Br 2085628771 TVSBFERKBVUJKK-GFCCVEGCSA-N 455.009 6.074 50 10 JKGE Cc1cc(Br)c([C@H](Br)[C@@H]2C[C@@H]3C[C@@H]3C[C@H]2C)cc1Br 2088249197 QRBIYWAOEPNBEH-BSKRKOEZSA-N 451.040 6.638 50 10 JKGE Cc1cc(Br)c([C@H](Br)[C@@H]2C[C@]2(C)C(F)(F)F)cc1Br 2105513713 ORPQZRCLZSYMSB-UWJYBYFXSA-N 464.945 6.545 50 10 JKGE CC[C@@H](Br)[C@H]1CCCCN1Cc1cccc(Br)c1Br 2114190844 WVAIECUXXPRKMZ-TZMCWYRMSA-N 454.044 5.740 50 10 JKGE CN(C(=O)c1cc(Br)c(Br)s1)[C@@H]1CCCCC[C@@H]1Br 2115916317 XPEGTRIEBWFCJT-WCBMZHEXSA-N 474.056 5.441 50 10 JKGE C[C@@H]1Cc2cc(Br)cc([C@@H](Br)c3cc(Br)cs3)c2O1 2115939127 AMQWPIMCSBMXNY-FUXBKTLASA-N 467.020 6.081 50 10 JKGE ClC[C@@H](Cc1cc(Br)ccc1Br)c1ccc(Br)cc1 2118524028 DYQZRICTVXXJAS-GFCCVEGCSA-N 467.426 6.539 50 10 JKGE CC1(C)CC[C@@H](Cc2ccc(Br)cc2Br)[C@H](Br)CC1 2122926873 GKGWWVRKZQKSIW-GXTWGEPZSA-N 453.056 6.734 50 10 JKGE F[C@@H]1[C@H](Br)C[C@H]2CC[C@H]1N2Cc1c(Br)cccc1Br 2134122150 JMEQJTANSGFRSG-HKSFMPNISA-N 455.991 5.050 50 10 JKGE Cc1cc(F)c(Cl)cc1[C@H](Cl)c1ccc(I)c(Br)c1 2137064087 HPMKLAFZSOAPPS-CQSZACIVSA-N 473.938 6.483 50 10 JKGE BrCC(CBr)(Cc1ccccc1)Cc1cc(Br)sn1 2139779476 IWGQKXGZQOVFAX-UHFFFAOYSA-N 468.052 5.467 50 10 JKGE Cc1cc([C@@H](Br)[C@H](C)c2ccncc2Br)ccc1I 2142105483 DEDVEZCCTHNSAA-BMIGLBTASA-N 494.996 5.997 50 10 JKGE ClCc1cc(Cl)cc(Br)c1OCc1ccc(Cl)cc1Br 2144774551 SEKFUGMUGWSXFV-UHFFFAOYSA-N 459.392 6.836 50 10 JKGE O=C(c1c(Br)cccc1Br)N1[C@H]2CCC[C@H](Br)[C@H]1CC2 2154096204 HCEXFAOJWKNDJX-OUJBWJOFSA-N 466.011 5.132 50 10 JKGE CC(C)[C@H](CN(C)Cc1ccccc1)n1c(CCl)nc2cc(Br)c(Cl)cc21 2159872412 UZZXREWPKFSCOD-FQEVSTJZSA-N 469.254 6.520 50 10 JKGE CCCCCCCCCC[C@H](Cl)c1c(Br)sc(Br)c1Cl 2164487066 JAOXSROUQDESTJ-NSHDSACASA-N 465.122 8.737 50 10 JKGE Brc1ccc(Br)c([C@H](Br)[C@@H]2CC3(CCCCC3)CO2)c1 2166285978 MHKXDMHPKXNBJP-GJZGRUSLSA-N 467.039 6.387 50 10 JKGE Cc1nn(C)c2sc([C@@H](Br)c3c(Cl)sc(Br)c3Cl)cc12 2175242666 FOSNJVGRXKYBPR-MRVPVSSYSA-N 475.058 6.558 50 10 JKGE Clc1cc(Br)cnc1C[C@H](CBr)Cc1cccc(Br)c1 2183589553 DIHDFAPKGYIGJV-LLVKDONJSA-N 482.441 6.056 50 10 JKGE COc1cc(F)c([C@@H](Br)c2ccc(Br)c(Cl)c2)cc1Br 2202904672 VGAZOHXOTJWFMO-AWEZNQCLSA-N 487.388 6.497 50 10 JKGE COc1c(C)cc(Br)cc1[C@@H](Br)c1nn(C)c(Br)c1C 2206587100 OYNLWSXOPBHMBU-LLVKDONJSA-N 466.999 5.055 50 10 JKGE CC[C@H](Cl)[C@H]1CCCCN1C(=O)c1ccc(Br)cc1I 2207270724 DFBNILMXPDHLHU-GXTWGEPZSA-N 470.576 5.066 50 10 JKGE Fc1cc(Br)c(Br)cc1[C@H](Cl)c1sccc1Br 2213492188 MQZCGEALGINOLL-JTQLQIEISA-N 463.391 6.503 50 10 JKGE CCN[C@@H](c1c(Br)cc(Cl)c(Cl)c1Cl)[C@H]1C[C@@H](Br)C1 2224322727 PUTBOOPSRULJND-DDZXGWPLSA-N 450.429 6.233 50 10 JKGE Cl[C@H](c1c(Br)sc(Br)c1Br)[C@@H]1OC[C@H]2CCCC[C@@H]21 2224945426 NFFCADULSDYORV-LRMGWDNHSA-N 493.486 6.521 50 10 JKGE Cc1cc(Br)c([C@H](Br)[C@@H]2CCC[C@@H](C)O2)c(C)c1Br 2227361958 ITGWNSBYEPOFSY-MURWCNHISA-N 455.028 6.222 50 10 JKGE COc1sc([C@@H](Br)Cc2ccc(Br)cc2Cl)cc1Br 2229147923 PLNOVDBIPOKMHN-VIFPVBQESA-N 489.454 6.614 50 10 JKGE CO[C@@](C)(COCc1ccccc1)Cn1c(CCl)nc2c(F)cc(Br)cc21 2232914321 OKSLLXHHTBCGJT-HXUWFJFHSA-N 455.755 5.299 50 10 JKGE CCOCc1cc(Br)c([C@H](Br)c2nn(C)c(Br)c2C)s1 2233013618 LPLLULIJJMFDDL-SNVBAGLBSA-N 487.055 5.336 50 10 JKGE CCOCc1cc(Br)c([C@H](Br)c2cc(C)ccc2Br)s1 2233024280 VUYNUWXMUHVOCW-CQSZACIVSA-N 483.063 6.602 50 10 JKGE Cc1ccc(F)c([C@@H](Br)c2cc(Br)c(Br)cc2F)c1F 2233976605 PKVJLPZYSHFYMH-ZDUSSCGKSA-N 472.924 6.422 50 10 JKGE Cc1cc(Br)c([C@@H](Br)c2c(C)cccc2C)c(C)c1Br 2235602043 XZSSEHFPNXOPAS-KRWDZBQOSA-N 461.035 6.930 50 10 JKGE Cc1cc(Br)c([C@H](Br)C2(C(F)(F)F)CCC2)c(C)c1Br 2235613836 BJZYAWOUEOZUBB-LBPRGKRZSA-N 478.972 6.997 50 10 JKGE COC[C@@]1([C@H](Br)c2c(Br)cc(C)c(Br)c2C)CCCO1 2235616057 XTQNRZCDEDXPQO-HUUCEWRRSA-N 471.027 5.460 50 10 JKGE CCc1sc(Br)cc1[C@@H](Br)c1scc(Br)c1Cl 2246469082 TVKTZHDQIDNIKS-SECBINFHSA-N 479.484 7.035 50 10 JKGE Cc1cc(Br)cc([C@H](Br)c2sc(C)c(C)c2Br)c1 2253472523 BGBFQHUQJNASAP-ZDUSSCGKSA-N 453.037 6.683 50 10 JKGE CCc1cc([C@@H](Br)c2ccc(Cl)c(Br)c2)sc1Br 2255989381 SESPEGPEVHEWCS-LBPRGKRZSA-N 473.455 6.973 50 10 JKGE Fc1cc(Br)c(F)c(Br)c1[C@@H](Br)C1(C(F)(F)F)CC1 2272855867 PCXRAZPLTWBUTR-SECBINFHSA-N 472.871 6.268 50 10 JKGE Fc1ccc([C@H](Cl)Cc2cc(Br)cc(Br)c2)c(Br)c1 2277954061 BXWAYICEDTWEOC-CQSZACIVSA-N 471.389 6.636 50 10 JKGE Fc1ccc([C@@H](CI)OCc2ccc(Br)cc2F)cc1 2281372711 NFVIQANQKZBKHC-OAHLLOKOSA-N 453.064 5.420 50 10 JKGE COc1c([C@@H](Br)c2cc(I)cc3c2OCC3)csc1C 2287321601 WWFYCATWVZRUKE-ZDUSSCGKSA-N 465.150 5.089 50 10 JKGE Fc1cc(Br)c(F)c(Br)c1[C@H](Br)C[C@@H]1CCC[C@@H]2C[C@H]12 2288360676 YTPLQZUJEATPOX-XFWSIPNHSA-N 472.993 6.752 50 10 JKGE Fc1cccc(C[C@@H](Br)c2c(F)cc(Br)c(F)c2Br)c1 2288493357 RKKZPNKNUBFMAH-SECBINFHSA-N 472.924 6.308 50 10 JKGE N#CC(=Cc1ccc(-c2ccc(Br)cc2)o1)C(=O)NCCc1c[nH]c2ccccc12 2294171831 BUZCWELQCJCKPT-UHFFFAOYSA-N 460.331 5.456 50 10 JKGE COc1cc(C=C(C#N)C(=O)Nc2ccc(F)cc2)ccc1OCc1ccc(Br)cc1 2294581443 YTVNVYKUTDVKCL-UHFFFAOYSA-N 481.321 5.721 50 10 JKGE C=CCc1ccccc1OCCOc1ccc(C=C(C#N)C(=O)Nc2ccccc2)cc1OC 2294593287 WCSLPMBTCWSZIL-UHFFFAOYSA-N 454.526 5.427 50 10 JKGE CC(C)Cc1ccc([C@H](Br)Cc2cc(Br)cc(Br)c2)s1 2295277528 RUDCWSHLODEVSA-OAHLLOKOSA-N 481.091 7.150 50 10 JKGE CCc1nn(C)c([C@@H](Cl)c2cc3sc(Br)cc3s2)c1Br 2295515743 CPQSAFVSAPQFLZ-LBPRGKRZSA-N 454.640 6.112 50 10 JKGE Cn1c(C(C#N)=Cc2cn(-c3ccccc3)nc2-c2ccc3c(c2)OCCO3)nc2ccccc21 2296716266 UADCKCYRNRHCFO-UHFFFAOYSA-N 459.509 5.261 50 10 JKGE Cc1cc(C(C)(C)C)ccc1OCC(=O)NN=Cc1cc(Br)cc(Br)c1O 2297707702 BFFKOIHCDCGJRX-UHFFFAOYSA-N 498.215 5.052 50 10 JKGE CCCOc1c(Br)cc(C=C(C#N)C(=O)Nc2cccc([N+](=O)[O-])c2)cc1OCC 2313518607 LCIOPBOVJFEYKK-UHFFFAOYSA-N 474.311 5.090 50 10 JKGE Cc1c(C=C(C#N)C(=O)Nc2cccc(Cl)c2Cl)c2ccccc2n1Cc1ccccc1F 2313571311 SANRKMTYCRORTO-UHFFFAOYSA-N 478.354 6.990 50 10 JKGE Cc1ccc([C@@H](Cl)c2cc(Br)ccc2OCc2ccccc2)c(Br)c1 2314450067 VSYSRTICBHGWFL-OAQYLSRUSA-N 480.627 7.427 50 10 JKGE Cc1cccc(Oc2nc3c(C)cccn3c(=O)c2C=C(C#N)C(=O)Nc2ccccc2Cl)c1C 2314531691 CTLFTQNKBIJKAC-UHFFFAOYSA-N 484.943 5.611 50 10 JKGE Fc1ccc(C[C@H](Br)c2sc(Cl)cc2I)cc1F 2316772802 YCVHVUAAUHCQPQ-ZETCQYMHSA-N 463.512 5.963 50 10 JKGE COc1ccccc1C(C#N)=Cc1cccc(OC(=O)C=Cc2ccc(OCc3ccccc3)cc2)c1 2320511503 YZIHCHQKVOYEBF-UHFFFAOYSA-N 487.555 6.957 50 10 JKGE CC[C@@H](C)c1ccccc1NC=C(C#N)C(=O)N1CCN(C(c2ccccc2)c2ccccc2)CC1 2324609744 WWJVOEYJFNSICA-XMMPIXPASA-N 478.640 5.953 50 10 JKGE CC[C@@H]1C[C@H](Br)C[C@@H](Cc2ccc(I)c(Br)c2)C1 2325173006 MXTIOEBWGVCJEL-UHTWSYAYSA-N 486.029 6.186 50 10 JKGE COc1cccc(C=C(C#N)c2ncccc2[N+](=O)[O-])c1OCc1c(Cl)cccc1Cl 2331059496 IFHNGQDUNFORBR-UHFFFAOYSA-N 456.285 5.948 50 10 JKGE COc1cc(OC)c(-c2csc(C(C#N)=C(O)c3cc([N+](=O)[O-])ccc3Cl)n2)cc1Cl 2331381140 NTBYTBQNPLNFEJ-UHFFFAOYSA-N 478.313 5.992 50 10 JKGE COc1cc(Br)cc(C=C(C#N)c2nc(-c3ccc(OC)c4ccccc34)cs2)c1O 2331489210 IWRDSQXNHBPOEX-UHFFFAOYSA-N 493.382 6.513 50 10 JKGE Cc1cc(Br)c(C)c([C@@H](Br)[C@@]23CCOC[C@@H]2C3)c1Br 2332926141 ZGXAKAMKOQBXHQ-COLVAYQJSA-N 453.012 5.691 50 10 JKGE Cc1ccccc1P(O[C@@H](c1ccccc1)[C@@H](C)NC(=O)Nc1ccccc1)c1ccccc1C 2333285545 DUAQCUMHKBUVOE-FUFSCUOVSA-N 482.564 6.619 50 10 JKGE CCCN[C@@H](c1c(Cl)cc(Br)c(F)c1Br)[C@@H]1C[C@@H]1Br 2337093545 GJTSSXFCURFNRL-DDZXGWPLSA-N 478.425 5.828 50 10 JKGE Cc1cc(C(F)(F)F)sc1[C@H](Cl)c1sc(Cl)cc1I 2338770400 JSJTVOZUYVIZJI-QMMMGPOBSA-N 457.107 6.723 50 10 JKGE COc1ccc([C@H](Br)c2c(Br)c(Br)nn2C)c(Cl)c1 2338859803 HYYZFPXTRXYCEZ-VIFPVBQESA-N 473.390 5.091 50 10 JKGE CCCOC1([C@@H](Br)c2c(C)cc(Br)c(F)c2Br)CC1 2339687720 ZDETUCMGZWOLKH-ZDUSSCGKSA-N 458.991 6.054 50 10 JKGE Fc1ccc([C@H](Br)CCc2ccc(I)c(Br)c2)cc1 2349839177 ZLVYMNSZPUADLG-CYBMUJFWSA-N 497.971 6.262 50 10 JKGE Clc1ccc(I)cc1CN1CC[C@@H](CBr)C12CCC2 2352431342 GDZNTICAZQOTEA-LBPRGKRZSA-N 454.577 5.084 50 10 JKGE Cc1cc(Br)c([C@@H](Br)[C@@H]2CC[C@@H]3[C@H](C2)C3(F)F)cc1Br 2354772611 YILHJXIUFVOHEN-GJTWSCIVSA-N 472.993 6.637 50 10 JKGE Cc1sc([C@@H](Br)c2c(F)cc(Cl)c(Br)c2Cl)c(C)c1C 2360435773 MUDHYYAJKBNPMM-LBPRGKRZSA-N 461.021 7.366 50 10 JKGE FC(F)(F)C1([C@@H](Cl)c2cc(Br)ccc2OCc2ccccc2)CCOCC1 2361169667 XLRKNUOEJVEZLO-SFHVURJKSA-N 463.721 6.667 50 10 JKGE Fc1c(Br)cc(Cl)c([C@H](Br)C[C@H]2C[C@H]3CC[C@H]2C3)c1Br 2362255323 PJNDTJRCQSRVAD-AXTSPUMRSA-N 489.448 7.266 50 10 JKGE Clc1cccc(C[C@H](CBr)Cc2ccc(Cl)c(I)c2)c1 2362375234 HXDAHIMFBLWQTN-ZDUSSCGKSA-N 484.002 6.394 50 10 JKGE FC1(F)CC[C@@]2(C1)[C@@H](Oc1cc(Br)cc(I)c1)C[C@H]2Cl 2364267678 MQLVOPOFFQHVCL-AGIUHOORSA-N 477.514 5.618 50 10 JKGE BrCC(CBr)(CC1CCCCCC1)c1ccccc1Br 2364288521 OTMKBBFNSFNIJZ-UHFFFAOYSA-N 467.083 6.837 50 10 JKGE COc1c(Br)cc(C)c([C@@H](Br)[C@H]2CCC(C)(C)C2)c1Br 2365190293 DAMKTJDXKWPHNG-GWCFXTLKSA-N 469.055 6.791 50 10 JKGE Cc1cc(Br)c(F)c(Br)c1[C@@H](Br)c1cccc(F)c1Cl 2365215963 PKXOFXGYWKVCAD-NSHDSACASA-N 489.379 6.936 50 10 JKGE Fc1cc(Br)cc(OCc2c(Br)cccc2Br)c1CCl 2366212980 ASVIQNWCUPIVMY-UHFFFAOYSA-N 487.388 6.431 50 10 JKGE Clc1ccc(CN2CC[C@@H]3CC[C@H](Br)C[C@H]3C2)c(I)c1 2366723037 FULMEZDYFLPCMU-UBHSHLNASA-N 468.604 5.330 50 10 JKGE Cc1ccc([C@@H](Br)CCc2cc(Cl)cc(Cl)c2)cc1I 2366903099 LSHYKPUHDPSXMP-HNNXBMFYSA-N 484.002 6.975 50 10 JKGE CCOc1cc(CBr)cc(Br)c1OCc1nc(Br)cs1 2368850620 FHTFPUZXAHCVGF-UHFFFAOYSA-N 486.023 5.541 50 10 JKGE COc1cc(/C=C(\C#N)c2cccc(C#N)c2)cc(Br)c1OCc1ccc([N+](=O)[O-])cc1 2891005 OQQJPVGSMHPCMD-KEBDBYFISA-N 490.313 5.881 50 10 JKGE N#C/C(=C/c1cn(-c2ccccc2)nc1C(=O)c1ccccc1)C(=O)Nc1ccccc1Cl 3321941 SJIVTIHXZXIYSA-CYVLTUHYSA-N 452.901 5.302 50 10 JKGE O=[N+]([O-])c1ccc(OC[C@H](Br)[C@H](Br)c2cc(Cl)ccc2Cl)cc1 33353112 KKNXMZDBHCMFTD-DZGCQCFKSA-N 483.971 6.180 50 10 JKGE Cc1ccc(Cl)cc1NC(=O)/C(C#N)=C\c1cn(Cc2ccc3ccccc3c2)c2ccccc12 33657137 UEGZWNOUOQXWNS-IWIPYMOSSA-N 475.979 7.350 50 10 JKGE COc1cc(/C=C(/C#N)C(=O)Nc2ccccc2[N+](=O)[O-])cc(Cl)c1OCc1ccc(C)cc1 34718616 WZCNEECXVZRONB-ODLFYWEKSA-N 477.904 5.690 50 10 JKGE COc1ccc(Br)cc1[C@@H]1C(C#N)=C(N)Oc2cc(OC(=O)c3ccccc3F)ccc21 38660726 WUOJBINUSMTXGU-JOCHJYFZSA-N 495.304 5.034 50 10 JKGE N#CC1=C(N)Oc2cc(OC(=O)c3ccccc3)ccc2[C@@H]1c1cccc(Oc2ccccc2)c1 38660738 VIVUUEBMJSRHCO-MHZLTWQESA-N 460.489 5.916 50 10 JKGE CCOc1ccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4oc5ccc(CC)cc5c4C)ccc32)cc1 38701388 BTHHQEGIBSYKFW-HHHXNRCGSA-N 494.547 6.140 50 10 JKGE Cc1ccc(NC(=O)c2oc3c(c2C)/C(=N/NC(=O)c2ccc(-c4ccccc4)cc2)CCC3)nc1 40822815 UZHHHDHJJCIOEO-AWSUPERCSA-N 478.552 5.681 50 10 JKGE COc1cc(/C=C(\C#N)C(=O)Nc2cc(C)ccc2C)ccc1OCc1ccc(Cl)cc1Cl 59198809 ADZJOZODXUCDLF-RGVLZGJSSA-N 481.379 6.744 50 10 JKGE CCCCCCCCOc1ccc(/C=C(/C#N)C(=O)Nc2ncc(Cc3ccccc3)s2)cc1 102973950 KJZSMISUUIIOIM-MOHJPFBDSA-N 473.642 7.019 50 10 JKGE COc1ccc([C@H](Br)c2ccc(F)c(Br)c2)cc1Br 126602813 SQEOWBNJMUPQBR-CQSZACIVSA-N 452.943 5.844 50 10 JKGE Brc1cc([C@H](Br)c2cccc3ccccc23)sc1Br 128236007 NYSAKPNKGKMRQF-CQSZACIVSA-N 461.016 6.911 50 10 JKGE CCOc1cc(/C=N\NC(=O)Cc2cc(Cl)ccc2SCC)cc(Cl)c1OCC 169922371 KYIAKISXCPGMJH-CFRMEGHHSA-N 455.407 5.596 50 10 JKGE Cc1ccc(F)c([C@H](Br)c2cc(Br)c(Br)s2)c1F 214815823 RBVOWZMGVIJVRS-SNVBAGLBSA-N 460.963 6.344 50 10 JKGE Clc1cc(Oc2ccc(Br)cc2Br)ccc1CBr 236060890 VJQTXWHRNKPCHF-UHFFFAOYSA-N 455.371 6.552 50 10 JKGE Clc1ccc(I)c([C@@H](Br)c2cc(Cl)cc3c2OCC3)c1 236083979 VXMZXEOLFWCYMK-CQSZACIVSA-N 483.958 6.017 50 10 JKGE FC(F)(F)OCCOc1c(Br)cc(CBr)cc1Br 236114200 BHSNORJXSREOGV-UHFFFAOYSA-N 456.878 5.022 50 10 JKGE CC(=NNC(=O)c1cc(-c2ccc(OCc3ccc(C)cc3)cc2)n[nH]1)c1ccc([N+](=O)[O-])cc1 254405316 RQAJDWQXIGVMFA-UHFFFAOYSA-N 469.501 5.026 50 10 JKGE O=C(Cc1cccc2ccccc12)NN=Cc1c(OCc2ccc(F)cc2)ccc2ccccc12 254498864 TYKLBJOYHGZUIJ-UHFFFAOYSA-N 462.524 6.404 50 10 JKGE CC(=NNC(=O)CSc1nnc(SCc2ccccc2)s1)c1ccc2ccccc2c1 254517153 LALFOGLXYCIJOD-UHFFFAOYSA-N 464.641 5.616 50 10 JKGE Cc1ccc(C(=O)NN=Cc2ccc(OC(=O)c3ccccc3)cc2OC(=O)c2ccccc2)cc1 254758754 PQEJAOLSISSBMM-UHFFFAOYSA-N 478.504 5.197 50 10 JKGE CCCCCOc1ccc(C=NNC(=O)[C@H](C)Oc2ccc(C)cc2Br)cc1OC 256017347 HHTCJFWNKXERKW-KRWDZBQOSA-N 477.399 5.253 50 10 JKGE Clc1ccc([C@@H](Cl)c2cc(I)cc3c2OCC3)cc1Br 312334511 JQYIUYSSYXNUFF-CQSZACIVSA-N 483.958 5.970 50 10 JKGE C[C@@H]1CN(Cc2ccccc2)CCCN1c1cc(Br)ccc1CBr 382663454 UPADNIBEVUYLOB-MRXNPFEDSA-N 452.234 5.445 50 10 JKGE FC(F)(F)c1csc([C@@H](Cl)c2ccc(I)cc2)c1Br 388911194 NCYKBUGFROBTSC-JTQLQIEISA-N 481.502 6.462 50 10 JKGE ClCc1nc2ccc(Br)cc2n1CCCN(Cc1ccccc1)Cc1ccccc1 390490489 PJXUPURGRMXTNG-UHFFFAOYSA-N 482.853 6.630 50 10 JKGE ClCCc1nc2cc(I)ccc2n1C[C@@H]1CCCN1Cc1ccccc1 390563291 KYYPZMLSCPPKKC-SFHVURJKSA-N 479.793 5.087 50 10 JKGE CC(C)(C)[Si](C)(C)OCCc1ccccc1[C@H]1CCCCN(CCO[Si](C)(C)C(C)(C)C)C1 616603938 KKVOXHINKWDDHI-VWLOTQADSA-N 491.909 7.842 50 10 JKGE COCc1cc(Br)c([C@H](Br)Cc2ccccc2Br)s1 688094647 ZCGPHERCPNANFL-GFCCVEGCSA-N 469.036 6.098 50 10 JKGE COCc1cc(Br)c([C@@H](Br)c2csc(C(F)(F)F)c2)s1 718784418 CHVPUAYRBZZSPF-JTQLQIEISA-N 450.139 6.222 50 10 JKGE CCOc1ccc(C)cc1[C@@H](Cl)c1ccc(I)c(Br)c1 721574150 VAGHNXFPQUCNPS-INIZCTEOSA-N 465.556 6.089 50 10 JKGE CCCc1ccc([C@H](Br)c2ccc(I)c(Br)c2)cc1 721603453 MEXOHKGUXKLBAP-INIZCTEOSA-N 494.008 6.491 50 10 JKGE Cc1ccccc1-n1c(C)c(Br)c(C=NNC(=O)[C@@H](C)Sc2ccccc2)c1C 725401754 VHYSFQRAKWWTAI-GOSISDBHSA-N 470.436 5.796 50 10 JKGE O=C(CSc1nc2ccccc2s1)NN=Cc1cccc(OC(=O)c2ccc(Cl)cc2)c1 1083896269 HKWIIAKYHOJVFU-UHFFFAOYSA-N 481.986 5.411 50 10 JKGE CCOc1cc(C=NNC(=O)CSc2ccc(C)cc2)ccc1OCc1cccc(Cl)c1 1083927915 QEZDRKAHUXRTAH-UHFFFAOYSA-N 469.006 5.869 50 10 JKGE O=C(Cc1cccc(C(F)(F)F)c1)NN=Cc1ccc(-c2ccc([N+](=O)[O-])cc2Br)o1 1084258799 NPUKCPUXWNVCAQ-UHFFFAOYSA-N 496.239 5.329 50 10 JKGE Cc1cc(C)cc(NC(=O)c2oc3c(c2C)C(=NNC(=O)Cc2coc4c(C)c(C)ccc24)CCC3)c1 1772751611 HMNFKNAALOAZKR-UHFFFAOYSA-N 497.595 6.220 50 10 JKGE CCOc1c(Br)cc(C=NNC(=O)[C@@H](C)Oc2ccc(C(C)(C)C)cc2)cc1OC 1772756128 LUSBFAFXNCXVKG-OAHLLOKOSA-N 477.399 5.072 50 10 JKGE COc1ccc(-c2nn(Cc3cc(C)ccc3C)c3c2[C@H](c2sccc2C)C(C#N)=C(N)O3)cc1 1865699208 NNVKNUCQZFQFTG-HSZRJFAPSA-N 482.609 5.812 50 10 JKGE CCc1nn(-c2ccc(Cl)c(Cl)c2)c2c1[C@@H](c1cn(C)c3ccccc13)C(C#N)=C(N)O2 1865699507 VVRXNMGZGXMSOO-OAQYLSRUSA-N 464.356 5.451 50 10 JKGE N#CC1=C(N)Oc2c(c(C(F)(F)F)nn2Cc2ccc(Cl)c(Cl)c2)[C@@H]1c1cccc(F)c1 1865710539 BIMCRBNSKOFFCX-MRXNPFEDSA-N 483.252 5.614 50 10 JKGE N#CC1=C(N)Oc2c(c(-c3ccccc3)nn2Cc2ccc(Cl)c(Cl)c2)[C@@H]1c1cccc(F)c1 1865711058 OTPLYBIVQSBCIW-JOCHJYFZSA-N 491.353 6.262 50 10 JKGE COc1ccc(-c2nn(Cc3ccccc3Cl)c3c2[C@@H](c2cccc(C)c2)C(C#N)=C(N)O3)cc1 1865711060 OVBAFMUVKJFOIP-DEOSSOPVSA-N 482.971 5.787 50 10 JKGE N#CSc1ccc(NC(=O)[C@@H](NC(=O)[C@@H](Cc2ccncc2)c2ccccc2)c2ccccc2)cc1 1866704050 XAXPYRKAARXSBA-SVBPBHIXSA-N 492.604 5.477 50 10 JKGE Cc1ccc(-c2nc(Nc3ccc(SC#N)cc3)cc(N3CCN(C)[C@@H](c4ccccc4)C3)n2)cc1 1868320131 CHOGAYVSIXKZIV-AREMUKBSSA-N 492.652 6.262 50 10 JKGE CCn1cc(/C=C2\Oc3cc(OCc4ccc(CCl)cc4)ccc3C2=O)c2cc(OC)ccc21 1871436663 KAJJJJCKRZWSAV-PPDIBHTLSA-N 473.956 6.604 50 10 JKGE N#C/C(=C(/O)c1cccc(Br)c1)c1nc(-c2ccc(Cl)cc2Cl)cs1 1872744877 MNMCXJVFPAFFDB-VKAVYKQESA-N 452.160 6.829 50 10 JKGE COc1ccc(OCCC/C(O)=C(\C#N)c2nc(-c3ccc(Cl)c(Cl)c3)cs2)cc1 1872749270 JDPXZBRHNKSFIS-FXBPSFAMSA-N 461.370 6.777 50 10 JKGE CC(C)(C)c1ccc(-c2csc(/C(C#N)=C(\O)c3ccc(N4CCOCC4)c([N+](=O)[O-])c3)n2)cc1 1872750792 LDAJNRFASALGEK-GFMRDNFCSA-N 490.585 5.802 50 10 JKGE N#C/C(=C(/O)c1ccccc1I)c1nc(-c2ccc3c(c2)OCCO3)cs1 1872751064 RYILMBCMCPQHEI-RGEXLXHISA-N 488.306 5.136 50 10 JKGE COc1c(Cl)cc(Cl)cc1-c1csc(/C(C#N)=C(\O)[C@@H]2CC(=O)N(C(C)C)C2)n1 1872754282 LEMHOFNIDVSCFX-GMVXBXSFSA-N 452.363 5.175 50 10 JKGE COc1ccc(-c2csc(/C(C#N)=C(O)/C=C/c3ccc(Cl)cc3Cl)n2)c(OC)c1OC 1872759112 DYLOVDUERKLMMQ-BBQWOBQPSA-N 489.380 6.649 50 10 JKGE C[C@]1(C(F)(F)F)C[C@@H]1[C@H](Br)c1cc(Br)c(Br)s1 1906301343 JCQLGBFMLMWMSR-JWCJDBHTSA-N 456.947 6.298 50 10 JKGE CC[C@H](Br)CN(Cc1ccccc1)C(=O)c1cccc(Br)c1Cl 1915080545 KXVRAOFPRQGCDA-AWEZNQCLSA-N 459.609 5.918 50 10 JKGE CC[C@H](Br)CN(Cc1ccccc1)C(=O)c1ccccc1OCc1ccccc1 1915098159 CONSOTHPHHIFDY-QFIPXVFZSA-N 452.392 6.082 50 10 JKGE FC(F)(F)C([C@H](Br)c1sc(Br)cc1Br)C(F)(F)F 1922946991 XQEOCYSVPNMRIF-SCSAIBSYSA-N 484.879 6.450 50 10 JKGE CCCC(CCC)[C@@H](Br)c1c(Br)sc(Br)c1Cl 1923050096 QARRNCIBJQOATN-SECBINFHSA-N 467.492 7.579 50 10 JKGE Cc1ccsc1[C@@H](Br)c1c(Br)sc(Br)c1Cl 1923072390 OSRAKVKNBHYNSN-LURJTMIESA-N 465.457 6.781 50 10 JKGE CC1(C)[C@@H]([C@H](Br)c2c(Br)sc(Br)c2Cl)C1(F)F 1923075170 XWUVCIIZUZAVOZ-INEUFUBQSA-N 473.402 6.654 50 10 JKGE Cc1coc(C)c1[C@@H](Cl)c1c(Br)sc(Br)c1Br 1924568570 IPFNLTKGEUKIFD-SECBINFHSA-N 463.416 6.574 50 10 JKGE Cl[C@H](c1ccc2c(c1)COC2)c1c(Br)sc(Br)c1Br 1924595550 AVEKFXVXSUFHCL-LLVKDONJSA-N 487.438 6.394 50 10 JKGE Clc1ccc([C@@H](Br)c2c(Cl)sc(Br)c2Cl)c(Cl)c1 1925589632 UQYGVVOSIDBSLQ-MRVPVSSYSA-N 469.840 7.609 50 10 JKGE Fc1c(Br)cccc1[C@H](Cl)c1c(Cl)sc(Br)c1Cl 1925590048 WJKOVDQREAOXAD-ZETCQYMHSA-N 453.385 7.047 50 10 JKGE Brc1csc([C@H](Br)c2cc(Br)c(Br)s2)c1 1961680725 UUPFEXRMCQRRND-QMMMGPOBSA-N 495.881 6.581 50 10 JKGE C[C@]1([C@@H](Br)c2cc(Br)ccc2Br)C[C@@H]1C(F)(F)F 2039181059 QCFGVSZLBNSVTF-DCAQKATOSA-N 450.918 6.236 50 10 JKGE COc1ccc([C@@H](Br)c2cc(C)sc2Br)c(Br)c1 2039503103 MZNJBNCFPLFCLC-GFCCVEGCSA-N 455.009 6.074 50 10 JKGE CCOc1ccc2ccccc2c1C=C(C#N)C(=O)c1c(-c2ccccc2)n(CC)c2ccccc12 2040448158 CTLKFTDPWHZQEY-UHFFFAOYSA-N 470.572 7.670 50 10 JKGE Cc1cc(Br)c(C)c([C@@H](Br)CC[C@H]2CC2(C)C)c1Br 2136369452 JTGYTLAWIKHQKD-RYUDHWBXSA-N 453.056 7.091 50 10 JKGE Cn1ncc(Br)c1[C@@H](Br)c1c(Br)cc(F)c(Cl)c1F 2136957299 BTYGUEMZQGYUFE-QMMMGPOBSA-N 479.344 5.361 50 10 JKGE Cc1ccc([C@H](Br)c2cc(Br)c(Cl)cc2C)cc1Br 2137643609 UGDLVDOFEKBBDZ-HNNXBMFYSA-N 467.426 6.966 50 10 JKGE CC[C@H]1CC[C@H]([C@@H](Br)c2ccc(Br)c(C)c2Br)CC1 2138875146 CDPCACWVRJZZOO-XHBSWPGZSA-N 453.056 7.172 50 10 JKGE C[C@@H]1Cc2cc([C@@H](Br)c3ccc(OCc4ccccc4)cc3)cc(Br)c2O1 2146629224 WSGUXSZTSXFCKE-QRQCRPRQSA-N 488.219 6.836 50 10 JKGE Clc1ccc(CC(CBr)(CBr)C2CCCCC2)cc1Br 2166824290 IXBFXVNDYCBNCW-UHFFFAOYSA-N 487.501 7.002 50 10 JKGE CCCCC[C@H]1CC[C@H]([C@H](Br)c2cc(Br)c(Br)s2)CC1 2168773540 XLVDYFYPFWDNIY-HUBLWGQQSA-N 487.139 8.096 50 10 JKGE ClCc1nc2ccc(Br)cc2n1Cc1cccc(I)c1 2175855068 IGWJDMQNMXZLQN-UHFFFAOYSA-N 461.528 5.191 50 10 JKGE C[C@H](Br)CCCc1cn(-c2ccc(Cl)c(I)c2Cl)nn1 2189277295 CKITZCVNCRPTSH-QMMMGPOBSA-N 488.982 5.285 50 10 JKGE COc1cc(F)c([C@@H](Cl)c2cccc(F)c2I)cc1Br 2202911695 FCBROWPUJVGFQM-ZDUSSCGKSA-N 473.482 5.669 50 10 JKGE FC(F)(F)c1ccc(-n2c(Cl)nc(Cl)c2CCl)c(I)c1 2204125537 DMNPMCIXQMFADI-UHFFFAOYSA-N 455.432 5.541 50 10 JKGE CC(C)(C)CC[C@@H](Cl)c1sc(Br)c(Br)c1Br 2212197616 GSZSWFJKOHSTBM-ZCFIWIBFSA-N 453.465 7.142 50 10 JKGE CC(C)N1C[C@@H](Cl)[C@H](c2sc(Br)c(Br)c2Br)C1 2216390648 CSAYETFQEYBEIG-RNFRBKRXSA-N 466.464 5.451 50 10 JKGE Cc1scc([C@H](Br)c2c(Br)cc(Cl)c(Cl)c2Cl)c1C 2224314704 ZWDSCVTWIYWVDO-NSHDSACASA-N 463.449 7.572 50 10 JKGE Cc1nn(C)c([C@@H](Cl)c2cc(Br)c(Br)cc2F)c1Br 2225616796 QEGLQDFHBXMIPC-NSHDSACASA-N 475.381 5.483 50 10 JKGE CO[C@@H]1C[C@]2([C@H](Br)c3c(Br)cc(C)c(Br)c3C)C[C@@H]12 2227346342 CRGAWXXEOBMLHS-FOOGCRFISA-N 453.012 5.689 50 10 JKGE Cc1ccc(I)c([C@@H](Cl)c2cc(F)c(Br)cc2F)c1 2232224130 VXPSMNBIYAJGOJ-AWEZNQCLSA-N 457.483 5.969 50 10 JKGE Fc1cc(Br)cc([C@H](Cl)c2c(Br)cc(Cl)c(Cl)c2Cl)c1 2232512327 NGHAGUFOXYKXAR-NSHDSACASA-N 481.801 7.639 50 10 JKGE Cc1cc(Br)c([C@@H](Br)c2cc(F)cc(F)c2)c(C)c1Br 2235602828 FIQJMEKYEOSARQ-HNNXBMFYSA-N 468.961 6.591 50 10 JKGE COc1ccc([C@@H](Br)c2cc(C3CC3)c(Br)s2)c(Br)c1 2240809946 JXLIPBXIKBXYPK-CQSZACIVSA-N 481.047 6.643 50 10 JKGE Fc1c(F)c(C[C@@H](Br)COCc2ccccc2)c(F)c(F)c1Br 2243481023 OWMJBFNEXUGWIL-SNVBAGLBSA-N 456.071 5.528 50 10 JKGE Cc1c(Br)sc([C@H](Cl)c2c(F)cccc2I)c1C 2255956723 GMRXKCPYFUSGNR-LLVKDONJSA-N 459.549 6.199 50 10 JKGE COc1ccc([C@@H](Cl)c2cc(Br)c(Cl)s2)cc1I 2257365533 SCUFHAZOKDWQRO-LLVKDONJSA-N 477.976 6.105 50 10 JKGE FC1(F)C[C@H]([C@H](Cl)c2c(Br)sc(Br)c2Cl)C12CCC2 2266145193 SKLWTQFHZUSUNZ-VDTYLAMSSA-N 454.989 7.032 50 10 JKGE COc1ccc([C@H](Br)c2cc(Cl)ccc2F)cc1I 2269549077 XJILVBUANNATFZ-AWEZNQCLSA-N 455.492 5.577 50 10 JKGE COc1cc(OC)c([C@H](Br)c2coc(Br)c2)cc1Br 2278034209 NPBCTWHJMFQTTM-CYBMUJFWSA-N 454.940 5.306 50 10 JKGE CC1(C)CCO[C@H](COc2c(Br)cc(CBr)cc2Br)C1 2280353401 BXIKUJZYXPAFLC-NSHDSACASA-N 471.027 5.691 50 10 JKGE CC(C)c1cc(Br)cc(C[C@@H](Br)c2ccccc2Br)c1 2280691950 QIWFHJKQBINLNX-QGZVFWFLSA-N 461.035 7.014 50 10 JKGE Cc1ccc(NC(=O)C(C#N)=C2S[C@@H](Cc3cccc(C)c3)C(=O)N2c2ccc(F)cc2)cc1 2293038881 DOAURYFCWSQWJI-DEOSSOPVSA-N 471.557 5.508 50 10 JKGE CCCCCOc1ccc(C=C(C#N)C(=O)Nc2sc(C)c(C)c2C(=O)OCC)cc1OC 2296818084 HHYNNIXZJFFSID-UHFFFAOYSA-N 470.591 5.665 50 10 JKGE Cc1cc(C=C(C#N)C(=O)Nc2ccccc2Br)c(C)n1-c1ccc(Cl)c(Cl)c1 2297491163 JTXZTBCWSDSDMA-UHFFFAOYSA-N 489.200 6.709 50 10 JKGE Cc1ccc(NC(=O)C(C#N)=Cc2ccc(OS(=O)(=O)c3ccc4ccccc4c3)cc2)cc1 2297559102 NEJMTKUHRWHXPE-UHFFFAOYSA-N 468.534 5.462 50 10 JKGE CCc1ccc([C@@H](Br)c2cc(Br)ccc2OCc2ccccc2)s1 2299492907 JJOZIEQJKLMOLF-FQEVSTJZSA-N 466.238 7.136 50 10 JKGE C[C@@H]1O[C@H](C)C[C@@H]1[C@@H](Br)c1ccc(OCc2ccccc2)cc1Br 2299503369 FBBLMKWURMXVHL-IUHVXIRESA-N 454.202 6.278 50 10 JKGE COC[C@]1(C)C[C@H]1[C@@H](Br)c1ccc(OCc2ccccc2)cc1Br 2299524826 HYQIUMSWUFGICP-IHPCNDPISA-N 454.202 6.137 50 10 JKGE Cc1ccc(C)c(NC(=O)C(C#N)=Cc2cn(Cc3ccc(Cl)cc3Cl)c3ccccc23)c1 2313560682 BZKODHLIBZVAHC-UHFFFAOYSA-N 474.391 7.159 50 10 JKGE CCOc1cc(C=C(C#N)C(=O)Nc2ccccc2C)ccc1OCc1ccc(Cl)cc1Cl 2313667747 UTTKWMIOQFUXOD-UHFFFAOYSA-N 481.379 6.825 50 10 JKGE Cc1ccc(C(=O)Nc2sc(C(C#N)=CC3=Cc4ccccc4O[C@H]3C)nc2-c2cccs2)cc1 2314433461 NGJPDQLXQLFXLD-SFHVURJKSA-N 495.629 7.204 50 10 JKGE N#CC(=Cc1ccc(-c2ccc(Cl)cc2)o1)C(=O)Nc1ccc(C(F)(F)F)c(Cl)c1 2314572203 WAGLYTCQTWEYHP-UHFFFAOYSA-N 451.231 6.818 50 10 JKGE CCCCOc1ccc(C=C(C#N)C(=O)Nc2sc(C(=O)OCC)c(C)c2C(=O)OCC)cc1 2314735024 MSSOXPCDTLSWOM-UHFFFAOYSA-N 484.574 5.135 50 10 JKGE CCN(CC)S(=O)(=O)c1ccc(C(=O)Oc2ccc(C=C(C#N)c3ccc(Cl)cc3)cc2)cc1 2320506113 BUXKXULLRFGXFB-UHFFFAOYSA-N 495.000 5.654 50 10 JKGE COc1ccc(C(C#N)=Cc2cccc(OC(=O)CC(c3ccccc3)c3ccccc3)c2)cc1OC 2320511167 MJGIZKMNPAHYRR-UHFFFAOYSA-N 489.571 6.896 50 10 JKGE CCOc1cc(C=NNC(=O)c2nc(-c3ccccc3)sc2C)cc(Cl)c1OC(C)C 2323749960 OGJYZTJYYOZFGW-UHFFFAOYSA-N 457.983 5.722 50 10 JKGE O=C(NN=Cc1ccc(Cl)cc1Cl)c1cc(-c2ccccc2)nc(N2CCCCC2)n1 2323758399 HRNJMKZGXCBWDP-UHFFFAOYSA-N 454.361 5.205 50 10 JKGE CCN(CCC1(c2ccccc2)CCCCC1)C(=O)C(C#N)=Cc1cccc(Br)c1 2324522211 DCXLWEBBVGUDJX-UHFFFAOYSA-N 465.435 6.497 50 10 JKGE CCOc1cc(C=C(C#N)c2nc3ccccc3n2C)ccc1OCc1c(Cl)cccc1Cl 2331019696 MWRQNJCXXPGLEK-UHFFFAOYSA-N 478.379 6.922 50 10 JKGE COCCOc1ccc(C=C(C#N)C(=O)Nc2ccc(OCc3ccc(Cl)cc3)cc2)cc1 2331122855 UGBUZDDSJHQPBT-UHFFFAOYSA-N 462.933 5.490 50 10 JKGE CCc1ccc(-c2csc(C(C#N)=C(O)C=Cc3cc(Br)c(OC)c(OC)c3)n2)cc1 2331245649 GELFECVSWYLYPF-UHFFFAOYSA-N 497.414 6.658 50 10 JKGE CCOc1ccc(C=CC(O)=C(C#N)c2nc(-c3ccc(C(C)(C)C)cc3)cs2)cc1OC 2331331958 MUYQSMPHLNSHSW-UHFFFAOYSA-N 460.599 7.021 50 10 JKGE CC(C)c1ccc(-c2csc(C(C#N)=C(O)CCCOc3ccc4ccccc4c3)n2)cc1 2331341815 UFBWEQFTBRBGEV-UHFFFAOYSA-N 454.595 7.739 50 10 JKGE COc1cc(Cl)c(C)cc1-c1csc(C(C#N)=C(O)CCCOc2ccc(C)cc2)n1 2331390271 URKIJWHDRLCNQJ-UHFFFAOYSA-N 454.979 6.741 50 10 JKGE Cc1cc(C)c(-c2csc(C(C#N)=C(O)C=Cc3ccc(OCc4ccccc4)cc3)n2)c(C)c1 2331394416 FFQBOAFCQXTDHS-UHFFFAOYSA-N 478.617 7.820 50 10 JKGE Cc1ccc(COc2ccc(C=C(C#N)c3nc(-c4ccc5c(c4)CCCC5)cs3)cc2)cc1 2331416790 OYQLETFQDLKKQI-UHFFFAOYSA-N 462.618 7.641 50 10 JKGE CCCOc1ccc(-c2csc(C(C#N)=Cc3cccc(OC)c3OCCC)n2)cc1OCCC 2331437997 OINJPGLNDKNGEW-UHFFFAOYSA-N 492.641 7.249 50 10 JKGE COc1cc(C)c(-c2csc(C(C#N)=Cc3ccccc3OCc3ccccc3Cl)n2)cc1C 2331485649 OPGFYWDBTQFTAP-UHFFFAOYSA-N 487.024 7.732 50 10 JKGE FC(F)(F)c1sccc1[C@H](Cl)c1ccc(OCc2ccccc2)cc1Br 2336041386 NNKOXYWALXGMKT-QGZVFWFLSA-N 461.730 7.437 50 10 JKGE COc1cccc([C@H](Cl)c2cc(Br)ccc2OCc2ccccc2)c1Cl 2336080210 JKXZIMRVKGEPEB-FQEVSTJZSA-N 452.175 7.018 50 10 JKGE Cc1cc(F)c(Br)cc1[C@H](Cl)c1cc(Br)ccc1OCc1ccccc1 2336080440 KPLMOHFOIXJKHI-NRFANRHFSA-N 498.617 7.566 50 10 JKGE CC(C)(C)C(C)(C)[C@@H](Br)c1c(Cl)cc(Br)c(F)c1Br 2337092339 OURUNCAXFZYSQK-LBPRGKRZSA-N 479.453 7.512 50 10 JKGE CCCOc1cccc([C@H](Br)c2sc(Cl)cc2I)c1 2338630439 MVARHJREZUGIHK-ZDUSSCGKSA-N 471.585 6.279 50 10 JKGE Brc1cc(Br)cc(O[C@H]2C[C@@H](Br)C23CCCCC3)c1 2338855918 HOESYLBSFZHEHU-KGLIPLIRSA-N 453.012 6.077 50 10 JKGE Cc1cc(Br)c(F)c(Br)c1[C@H](Br)[C@@H]1C[C@@H]2C[C@@H]2CO1 2339653764 MUJAPGCTFRYBBE-RBPQBLHMSA-N 456.975 5.520 50 10 JKGE Fc1cc(Cl)c([C@H](Br)c2ccc(Cl)cc2I)cc1Cl 2340064579 GKCUFNKYBDABSY-CYBMUJFWSA-N 494.356 6.875 50 10 JKGE FC1(F)CC[C@H](Cl)[C@H](Cc2ccc(I)c(Br)c2)CC1 2349777693 CYFPJDCKJJACJY-JQWIXIFHSA-N 463.531 6.029 50 10 JKGE CC(C)(C)[C@](C)(CBr)COCc1cc(I)ccc1Cl 2352272824 HVYPZFVGZCAVHA-OAHLLOKOSA-N 459.593 5.909 50 10 JKGE CC1(C)C[C@H](Br)CCN(Cc2cc(I)ccc2Cl)C1 2352415152 CUBAADHVIOBLPP-GFCCVEGCSA-N 456.593 5.330 50 10 JKGE O=C(c1cc(Br)c(Br)s1)N1CC[C@H](Cl)C[C@@H]1C(F)(F)F 2361449065 JOQHWCCDIZAXJE-YLWLKBPMSA-N 455.521 5.047 50 10 JKGE Clc1cc(C[C@]2(CBr)C[C@H]3C=C[C@H]2CCC3)ccc1I 2363956595 CKEVWKFMBPSLHW-MRRJBJDNSA-N 465.600 6.245 50 10 JKGE COc1c(Br)cc(C)c([C@@H](Br)CCCC(C)(F)F)c1Br 2365196782 QAIRYEQFBUQTJS-VIFPVBQESA-N 478.997 6.790 50 10 JKGE O=C(c1cc(Br)c(Br)s1)N1CCC[C@H](Cl)[C@H]1C(F)(F)F 2370266866 YTZVPCVQLXYMME-XPUUQOCRSA-N 455.521 5.047 50 10 JKGE N#C/C(=C/c1ccc(-c2cc(Cl)ccc2Cl)o1)C(=O)Nc1cc(Cl)ccc1Cl 2669564 BMSYAXZALZYQKQ-XFFZJAGNSA-N 452.124 7.106 50 10 JKGE CCc1ccc([C@@H]2C(C#N)=C(N)N(c3ccc(Br)cc3C)C3=C2C(=O)CCC3)s1 9981484 JSTUPLODCJODDC-NRFANRHFSA-N 468.420 5.686 50 10 JKGE CCCCOc1ccc(Br)cc1C(=O)NNC(=O)c1ccc(Cl)cc1Cl 14649749 VUALHORYCHWPJI-UHFFFAOYSA-N 460.155 5.010 50 10 JKGE Cc1cc(NCC(=O)N/N=C/c2c3ccccc3cc3ccccc23)ccc1I 20352487 SMIJRSKNUHHXLS-MZJWZYIUSA-N 493.348 5.468 50 10 JKGE N#C/C(=C\c1ccc(-c2ccc(Cl)c(Cl)c2)o1)c1nc(-c2ccc3ccccc3c2)cs1 28356620 BXYJAPAVWKWGBL-UDWIEESQSA-N 473.384 8.594 50 10 JKGE N#C/C(=C\C1=C(N2CCOCC2)/C(=C\c2ccccc2)CC1)C(=O)Nc1cccc(C(F)(F)F)c1 32693803 CRSSXBGDMIKGBK-IJDGKNKPSA-N 479.502 5.558 50 10 JKGE C=CCOc1ccc(-c2nn(-c3ccccc3)cc2/C=C(/C#N)C(=O)NCc2ccco2)c(C)c1 33714564 LRUGLOUWXGDRNU-PGMHBOJBSA-N 464.525 5.229 50 10 JKGE CCCCN1C(=O)C(C#N)=C(C)/C(=C\c2cn(-c3ccccc3)nc2-c2ccc(OC)cc2C)C1=O 38603626 SLIAWYMCOWHQOC-PCLIKHOPSA-N 480.568 5.249 50 10 JKGE Cc1ccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4ccc(OCC(C)C)cc4)ccc32)cc1 38649241 UIBUUXNPHLREQX-SANMLTNESA-N 454.526 5.467 50 10 JKGE CC(C)(C)c1ccc(C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@@H]3c2ccc(C(C)(C)C)cc2)cc1 38649693 MYRSEHROSXCQHK-HHHXNRCGSA-N 480.608 6.719 50 10 JKGE COc1cccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)COc4ccc(Cl)cc4Cl)ccc32)c1 38650146 OHYRNWQNTMLFMX-DEOSSOPVSA-N 497.334 5.205 50 10 JKGE Cc1ccc2oc(C(=O)Oc3ccc4c(c3)OC(N)=C(C#N)[C@H]4c3ccc(F)cc3)c(C)c2c1 38688110 XDFCRKZAOYGKMF-DEOSSOPVSA-N 454.457 5.626 50 10 JKGE Cc1cccc2sc(Nc3ncnc(NNC(=O)c4ccc(Cl)cc4Cl)c3[N+](=O)[O-])nc12 40650417 ROFGWQMYBHVPHU-UHFFFAOYSA-N 490.332 5.110 50 10 JKGE Cc1cc(OC(=O)c2oc3c(c2C)/C(=N/NC(=O)c2ccccc2Cl)CCC3)cc(C)c1Cl 40812778 XSERDBDIQJSSQL-TURZUDJPSA-N 485.367 6.201 50 10 JKGE COc1cc(/C=C(\C#N)c2ccccc2)ccc1OC(=O)COc1ccc(C)cc1C(C)(C)C 40840745 RJIZFJZUPJXCGQ-XQNSMLJCSA-N 455.554 6.350 50 10 JKGE CCOC(=O)c1ccc(-c2ccc(/C=C(\C#N)C(=O)Nc3ccc(Cl)c(Cl)c3)o2)cc1 59117432 AHHVCNJLVUIVRO-LFIBNONCSA-N 455.297 5.976 50 10 JKGE Cc1ccc(C)c(NC(=O)/C(C#N)=C\c2ccc(OCc3ccc(Cl)cc3Cl)cc2)c1 59198799 CEZIEVDIWPKMMV-NDENLUEZSA-N 451.353 6.735 50 10 JKGE O=C(NC1CCCCCC1)[C@H](c1ccc(F)cc1Cl)N(CCc1ccccc1)C(=O)CCl 97915024 CUFDTALJTOGUCH-DEOSSOPVSA-N 479.423 5.669 50 10 JKGE CCCCN1C(=O)C(C#N)=C(C)/C(=C\c2cn(-c3ccccc3)nc2-c2ccc(SCC)cc2)C1=O 101333042 XSVDQZAWHAGISI-KOEQRZSOSA-N 496.636 6.044 50 10 JKGE CCc1ccc(-c2csc(/C(C#N)=C\Nc3ccc4c(C(F)(F)F)cc(=O)oc4c3)n2)cc1 102419758 PYDXAACCGZVIKD-VBKFSLOCSA-N 467.472 6.474 50 10 JKGE O=C1NCCc2ccc([C@H](Br)c3cc(Br)c(Br)s3)cc21 128567572 ZEJMMWVOTVKUTC-LBPRGKRZSA-N 480.019 5.043 50 10 JKGE CCOC(=O)c1ccc(CN/C=C(/C#N)C(=O)Nc2ccccc2Sc2ccccc2)cc1 217244000 AWWWICRXJAEKSG-UZYVYHOESA-N 457.555 5.150 50 10 JKGE CC[C@H](N/C=C(/C#N)C(=O)Nc1ccc(I)cc1C)c1ccc2c(c1)CCCC2 217253836 DZNWKEBROLWFHU-BARSGRSVSA-N 499.396 5.565 50 10 JKGE O=C(CCCCCCCCC(=O)NN=C/C=C\c1ccccc1)NN=C/C=C\c1ccccc1 254301830 IBOICUQGFBVZEM-HKTJWCOISA-N 458.606 5.738 50 10 JKGE C/C(C=NNC(=O)CSc1nnc(-c2ccc(C)cc2)n1-c1ccccc1)=C/c1ccccc1 254510098 WHWUHVYMNWEUJE-DFTSQNTASA-N 467.598 5.540 50 10 JKGE C[C@@H](Cl)c1nc2cc(F)c(Br)cc2n1[C@H]1CCCN(Cc2ccccc2)C1 312178889 DUNQUHPANOYGQJ-ZBFHGGJFSA-N 450.783 6.075 50 10 JKGE C[C@@H]1CN(Cc2ccccc2)CCN(c2ccc(Br)cc2CBr)C1 323480481 OXGVZYPNOAVAJX-MRXNPFEDSA-N 452.234 5.302 50 10 JKGE C[C@@H]1CN(Cc2ccccc2)C[C@]1(C)Cn1c(CCl)nc2cc(I)ccc21 379979088 JHPPRGDEUFPNDE-OPAMFIHVSA-N 493.820 5.538 50 10 JKGE Fc1cccc(Br)c1[C@H]1CN(Cc2ccccc2)C[C@@H]1CI 382687072 GOUJNGPCKZINFH-GJZGRUSLSA-N 474.155 5.239 50 10 JKGE CC(C)(C)[Si](C)(C)OCCc1ccccc1[C@H]1CCCN(CCO[Si](C)(C)C(C)(C)C)CC1 616600090 AMPPBIHGJQSYLZ-DEOSSOPVSA-N 491.909 7.842 50 10 JKGE Cc1cc(Br)c([C@H](Br)[C@H]2CC23CCOCC3)cc1Br 689923240 NVDGRJRXVORYLX-RISCZKNCSA-N 453.012 5.773 50 10 JKGE Cc1cc(Br)c([C@H](Cl)Cc2ccccc2Br)cc1Br 692438002 BNSFEBWDUDOSDX-OAHLLOKOSA-N 467.426 6.805 50 10 JKGE Brc1ccccc1C[C@H](Br)c1csc2c(Br)cccc12 692449893 ZPDPLHSWPFVQCQ-HNNXBMFYSA-N 475.043 7.105 50 10 JKGE C[C@@]12CN(Cc3ccccc3)C[C@]1(C)CN(c1cc(Br)ccc1CBr)C2 706638569 BMQBIENSGPSYNY-SZPZYZBQSA-N 478.272 5.692 50 10 JKGE C[C@@]12CN(Cc3ccccc3)C[C@@]1(C)CN(c1cc(Br)ccc1CBr)C2 706638570 BMQBIENSGPSYNY-VXKWHMMOSA-N 478.272 5.692 50 10 JKGE O=C(c1ccc(I)c(Br)c1)N(CCCl)C1CCCCC1 721574178 VTSVCCBELCZHLI-UHFFFAOYSA-N 470.576 5.067 50 10 JKGE Cc1ccc(-n2c(C)cc(C=NNC(=O)CSCc3cccc(Br)c3)c2C)cc1C 1083906175 QGUQDXNJLONMHB-UHFFFAOYSA-N 484.463 5.857 50 10 JKGE CCCCCOc1ccccc1C(=O)NN=Cc1ccccc1OCc1ccc(C(=O)O)cc1 1083963597 ZXPMCBNFZJZUKH-UHFFFAOYSA-N 460.530 5.297 50 10 JKGE Cc1cc(C=NNC(=O)CSc2ccc(Cl)cc2)c(C)n1-c1ccc(Cl)c(Cl)c1 1083999066 WQFCHUUALVBQOF-UHFFFAOYSA-N 466.821 6.297 50 10 JKGE O=C(COc1ccc(C2CCCCC2)cc1)NN=C1C(=O)N(Cc2ccccc2)c2ccccc21 1084035048 PVMBJLYBEBNFPU-UHFFFAOYSA-N 467.569 5.180 50 10 JKGE O=C(NN=Cc1ccc(OCc2ccccc2)cc1)c1ccc(CSc2ccc(Cl)cc2)cc1 1084410628 ORHNAOALNBZMKF-UHFFFAOYSA-N 487.024 6.975 50 10 JKGE O=C(CC[C@@H](O)c1ccccc1)NN=Cc1cn(Cc2cccc3ccccc23)c2ccccc12 1084614554 LYDIVUUWOFCFEB-GDLZYMKVSA-N 461.565 5.807 50 10 JKGE CCc1ccccc1NC(=O)/C(C#N)=C\c1cc(Br)ccc1OCc1cccc(F)c1 1084632357 KETQWIUVNFRBIT-MOSHPQCFSA-N 479.349 6.275 50 10 JKGE CC(=NNC(=O)COc1ccc2cc(Br)ccc2c1Br)c1ccccc1 1084640581 RYRPFHPEMXZYFE-UHFFFAOYSA-N 476.168 5.284 50 10 JKGE O=C(NN=Cc1cn(Cc2ccc(Cl)cc2Cl)c2ccccc12)[C@H]1C[C@H]1c1ccccc1 1565518724 NAXVUQMMOCWNTM-GOTSBHOMSA-N 462.380 6.250 50 10 JKGE N#CSc1ccc(NC(=O)c2cccc(NC(=O)CC(c3ccccc3)c3ccccc3)n2)cc1 1860552942 CBNGVJMVBHNIQC-UHFFFAOYSA-N 478.577 6.068 50 10 JKGE N#CC1=C(N)Oc2c(c(-c3ccccc3)nn2-c2ccccc2Cl)[C@H]1c1c(F)cccc1Cl 1865682259 KKFCFYAGGRGILU-HXUWFJFHSA-N 477.326 6.203 50 10 JKGE CCCOc1ccc([C@H]2C(C#N)=C(N)Oc3c2c(-c2ccccc2)nn3CC(C)C)cc1OCC 1865691616 WPJBBFHKNIGUJS-DEOSSOPVSA-N 472.589 5.612 50 10 JKGE CCCc1nn(-c2ccc(Cl)c(Cl)c2)c2c1[C@@H](c1cccc(OC)c1OC)C(C#N)=C(N)O2 1865700762 CYNPRNZUKVQODO-FQEVSTJZSA-N 485.371 5.367 50 10 JKGE COc1cccc([C@H]2C(C#N)=C(N)Oc3c2c(-c2ccccc2)nn3-c2cccc(Cl)c2)c1OC 1865701473 WJLHRPIKJPMHGS-QFIPXVFZSA-N 484.943 5.428 50 10 JKGE CCCOc1ccccc1[C@@H]1C(C#N)=C(N)Oc2c1c(CC)nn2Cc1c(F)cccc1Cl 1865703624 XHFZWRDQNBGWGV-JOCHJYFZSA-N 466.944 5.293 50 10 JKGE CCn1cc(/C=C2\Oc3c(ccc(OCc4ccc(CCl)cc4)c3C)C2=O)c2cc(OC)ccc21 1871437009 WGMVESKWOXMTAY-WKIKZPBSSA-N 487.983 6.912 50 10 JKGE COc1ccc(C(C)(C)C)cc1-c1csc(/C(C#N)=C(\O)COc2cc(C)c(Cl)c(C)c2)n1 1872751532 MEPYMSPIUOARPT-XDOYNYLZSA-N 483.033 7.258 50 10 JKGE Cc1ccc(C(C)(C)C)cc1-c1csc(/C(C#N)=C(\O)[C@H]2CC(=O)N(Cc3ccccc3)C2)n1 1872756026 QKYYNYZJLZUOLO-UOODYVSWSA-N 471.626 6.257 50 10 JKGE Cc1ccc(C(C)(C)C)cc1-c1csc(/C(C#N)=C(\O)c2cccc(Oc3ccccc3)c2)n1 1872756304 WXLXMLKTIGWSHN-RFBIWTDZSA-N 466.606 8.158 50 10 JKGE CCCOc1c(/C=C(\C#N)c2nc(-c3ccc(-c4ccccc4)cc3)cs2)cccc1OC 1872782301 CJEMYBZCDPMIAG-JJIBRWJFSA-N 452.579 7.339 50 10 JKGE CCCCOc1ccc(/C=C(\C#N)c2nc(-c3ccc(C(C)(C)C)cc3)cs2)cc1OCC 1872792305 QWJRIKNUMSIBSV-CJLVFECKSA-N 460.643 7.749 50 10 JKGE CSCC[C@H](NC(=O)OC(C)(C)C)C(=O)N/N=C/c1cccc(OCc2ccccc2Cl)c1 1873793479 MLQVGMLDLWZBGY-YYHBXHNPSA-N 492.041 5.016 50 10 JKGE C[C@H](COc1c(Br)cc(Br)cc1CBr)OC(C)(C)C 1876995717 UVGXIZCHNGEJTG-SECBINFHSA-N 459.016 5.689 50 10 JKGE Cc1c(Br)sc([C@H](Cl)c2cccc(F)c2Br)c1Br 1922947133 YUIGKDRYWIJBPB-SNVBAGLBSA-N 477.418 6.811 50 10 JKGE Fc1ccc2cc([C@H](Br)c3sc(Br)cc3Br)sc2c1 1922953807 HRLWTLAPMJBDOH-LBPRGKRZSA-N 485.035 7.111 50 10 JKGE FC1(F)CCC[C@@H]1[C@@H](Br)c1c(Br)sc(Br)c1Cl 1923050512 WGKQOTCDQCYMIA-INEUFUBQSA-N 473.402 6.798 50 10 JKGE C[C@@H](c1ccncc1Br)[C@H](Br)c1ccc(Br)cc1F 1924040262 PAHOZWJTVKZJBL-RTHLEPHNSA-N 451.959 5.985 50 10 JKGE CCCC[C@@H](Br)c1c(Br)sc(Br)c1Br 1924575981 IFHAKLSDNUANAG-RXMQYKEDSA-N 469.862 6.662 50 10 JKGE Cc1ccnc(C[C@H](CBr)Cc2ccc(Br)cc2)c1Br 1926833640 MRUQWXSDAKOQLU-CYBMUJFWSA-N 462.023 5.711 50 10 JKGE Cl[C@H](c1c(Br)sc(Br)c1Br)[C@H]1CCC2(CC2)C1 1950247556 YAZVGINAKHVYEX-RCOVLWMOSA-N 463.460 6.896 50 10 JKGE C[C@H]1OC2([C@H](Br)c3c(Br)sc(Br)c3Cl)CC1C2 2017753883 ABBHEIUOEUHXCB-LISBXJGFSA-N 465.432 5.930 50 10 JKGE CC(C)(C)[C@H](CBr)CNC(=O)c1csc(Br)c1Br 2032958685 JXDGUQTWDPDIIS-SSDOTTSWSA-N 462.045 5.060 50 10 JKGE COc1sc([C@H](Br)c2ccc(Br)c(Cl)c2)cc1Br 2034629556 ODUXURIOKODJLS-LLVKDONJSA-N 475.427 6.419 50 10 JKGE CC1(C)C[C@H](N(Cc2ccccc2)c2c(CBr)ccc(Br)c2Cl)CO1 2036848045 JUXAFVNXBBUZPK-INIZCTEOSA-N 487.663 6.572 50 10 JKGE CC(C)(C)[S@](=O)N[C@H](c1ccccc1)c1ccccc1P(c1ccccc1)c1ccccc1 2080747743 RTEPAEFPZJXJEI-YDYNHKSESA-N 471.606 5.586 50 10 JKGE Cc1cc(Cl)c([C@@H](Br)c2ccccc2I)cc1Cl 2081588685 IAPHNUWEPMFVIZ-AWEZNQCLSA-N 455.948 6.391 50 10 JKGE Fc1c(Br)ccc(Oc2cc(Br)ccc2CBr)c1F 2096331149 UGILDCNOCCOJHQ-UHFFFAOYSA-N 456.906 6.177 50 10 JKGE Cc1sc(Br)c([C@@H](Br)c2cc(Cl)c(Br)cc2F)c1C 2101002762 FTRCWGUVKJDSCS-LBPRGKRZSA-N 491.445 7.167 50 10 JKGE CC(C)CO[C@@H]1[C@H](Br)C[C@H]1Oc1ccc(Br)cc1Br 2109256744 FHHGQEKRZTWLKX-MRVWCRGKSA-N 457.000 5.167 50 10 JKGE Cc1ccc([C@@H](Br)c2c(Cl)cccc2Br)c(C)c1Br 2113163405 VZQIARPCJQXVNZ-OAHLLOKOSA-N 467.426 6.966 50 10 JKGE CCOc1ccc([C@H](Br)c2nc(C)sc2Br)cc1Br 2113185007 LJSJKNZINXFCNJ-NSHDSACASA-N 470.024 5.860 50 10 JKGE CO[C@@H]1CC([C@H](Br)c2sc(Br)c(C)c2Br)C[C@H]1OC 2118266568 DUHHESGYYMESIN-KKZNHRDASA-N 477.056 5.458 50 10 JKGE CO[C@@H]1CC[C@@H](C(CBr)(CBr)c2cccc(Br)c2)C1 2130622448 QUTRSNDDNVCBFD-TZMCWYRMSA-N 455.028 5.292 50 10 JKGE Cc1cc(Br)c(C)c([C@H](Br)C[C@H](C)C(C)(C)C)c1Br 2136380132 RQCOOGDFNWOKSO-GXFFZTMASA-N 455.072 7.337 50 10 JKGE Clc1cc(Br)cc(Cl)c1Oc1ccc(Br)cc1CBr 2138249665 AUBDQPOYQVEZDH-UHFFFAOYSA-N 489.816 7.206 50 10 JKGE C[C@H](Cl)c1nc2cc(I)c(F)cc2n1[C@@]12C[C@@H]1CN(Cc1ccccc1)C2 2155865701 TWRGABPLBFCUMP-QDUSTFBWSA-N 495.767 5.311 50 10 JKGE F[C@H](COc1c(Br)cc(Br)cc1CBr)C1CCCCC1 2178102551 UHWVNIWEVRDJQD-CQSZACIVSA-N 473.018 6.404 50 10 JKGE CCC(CC)(CC)CO[C@](C)(CI)c1ccccc1Br 2182258166 VQOQUGKHIQZFGW-MRXNPFEDSA-N 453.202 6.332 50 10 JKGE CCC1CCC([C@@H](Br)c2c(C)c(Br)cc(C)c2Br)CC1 2201074093 PZMIGIUNQDJBJN-QWQCLYJRSA-N 467.083 7.481 50 10 JKGE O=C(c1cc(Br)cc(Br)c1)N1CCCC[C@@H]1CCCBr 2206674622 KCWFRAFXBWSTPH-CQSZACIVSA-N 468.027 5.381 50 10 JKGE COC[C@@H]1C[C@H](Cl)[C@H](c2sc(Br)c(Br)c2Br)C1 2216414927 WNFDSRKPKIXIRT-XVMARJQXSA-N 467.448 5.783 50 10 JKGE Clc1cc(Br)c([C@@H](Br)CC[C@@H]2CCCO2)c(Cl)c1Cl 2224302758 OMRYISXMLJVJMM-YUMQZZPRSA-N 451.413 6.805 50 10 JKGE Cc1c([C@@H](Cl)c2cc(Br)c(Br)cc2F)c(Br)nn1C 2225617012 RJQIEGMUTSYUDE-NSHDSACASA-N 475.381 5.483 50 10 JKGE Fc1cc(Br)c(Br)cc1[C@H](Br)C1C[C@H]2CCC[C@@H]2C1 2225618635 YZQGMCNNTPLKDY-KEMUVXCRSA-N 455.003 6.613 50 10 JKGE CCOCc1cc(Br)c([C@@H](Br)c2scc(Br)c2C)s1 2226127440 WCTJYLPJSCNUTJ-NSHDSACASA-N 489.092 6.664 50 10 JKGE Cc1sc([C@@H](Br)[C@@H](C)c2ccncc2Br)c(Br)c1C 2229320619 WGMVMJJWXLWFIC-SDBXPKJASA-N 468.052 6.525 50 10 JKGE COc1ccc([C@@H](Br)c2cc(C)ccc2I)cc1Cl 2232220058 NFKIANYWODNADM-OAHLLOKOSA-N 451.529 5.746 50 10 JKGE CC(C)c1ccc([C@H](Br)c2cc(Br)c(Br)cc2F)cc1 2233976990 RWPOGCZEWSTZNE-INIZCTEOSA-N 464.998 6.958 50 10 JKGE Cc1ccc(I)c([C@@H](Cl)c2cc(Br)c3c(c2)CCO3)c1 2240998783 ZLFQOTIWNJDHKB-HNNXBMFYSA-N 463.540 5.625 50 10 JKGE Clc1cc([C@@H](Br)c2cc3sc(Br)cc3s2)c(Cl)s1 2263617538 HABZHDYXWKWWKZ-SNVBAGLBSA-N 463.068 7.578 50 10 JKGE COc1ccc([C@@H](Br)c2cc(F)ccc2Cl)cc1I 2269550309 YSPRXJJHDSFMNW-CQSZACIVSA-N 455.492 5.577 50 10 JKGE Fc1cc(C[C@H](Br)c2ccc(Br)cc2Br)ccc1Cl 2277801273 MDDLUNQQQAUKPV-NSHDSACASA-N 471.389 6.683 50 10 JKGE CCC12COC([C@@H](Br)Cc3cc(Br)cc(Br)c3)(C1)C2 2277953489 SDLLPKYFFFNLBT-NFOMZHRRSA-N 453.012 5.477 50 10 JKGE FC(F)(F)[C@@H]1CC[C@H]1[C@@H](Br)Cc1cc(Br)cc(Br)c1 2277957902 YGIAWTBJTBASGD-UTUOFQBUSA-N 464.945 6.106 50 10 JKGE Cc1cc(Cl)c(Cl)cc1[C@H](Br)Cc1ccc(Br)cc1Cl 2279041345 IYXGPYUOFNOPOV-GFCCVEGCSA-N 457.420 7.396 50 10 JKGE C=CC[C@]1(CBr)CCCN(C(=O)c2cc(Br)sc2Br)C1 2287763963 ILXSCZFZYFMXPA-CQSZACIVSA-N 486.067 5.467 50 10 JKGE N#CC(=Cc1cn(-c2ccccc2)nc1-c1ccc2c(c1)OCCO2)c1nc(O)c2ccccc2n1 2296721806 ZBNYESHNEMLGGD-UHFFFAOYSA-N 473.492 5.023 50 10 JKGE COc1ccc(C=C2CCC[C@H]3C2=NN(C(=O)C(C#N)=Cc2ccco2)[C@H]3c2ccc(OC)cc2)cc1 2297021080 DHWUBFOYUAUVOK-YTMVLYRLSA-N 493.563 6.027 50 10 JKGE N#CC(=Cc1c(-c2ccccc2)n(-c2ccccc2)c2ccccc12)C(=O)Nc1ccc(F)cc1 2297387991 PRRPRGCDYQRIJT-UHFFFAOYSA-N 457.508 6.982 50 10 JKGE CC1=NN(c2ccc(I)cc2)C(=O)C1=CNc1cc(C)c(SC#N)cc1C 2297512251 SCOFKCJLJQNVDR-UHFFFAOYSA-N 488.354 5.200 50 10 JKGE C[C@]12CO[C@]([C@@H](Br)c3ccc(OCc4ccccc4)cc3Br)(C1)C2 2299491230 DASLNPBLHSGRSH-SLFFLAALSA-N 452.186 6.033 50 10 JKGE Cc1cc([C@H](Cl)c2cc(Br)ccc2OCc2ccccc2)c(Br)s1 2299506809 CKSHISBPEBLTIQ-GOSISDBHSA-N 486.656 7.489 50 10 JKGE Brc1ccc(OCc2ccccc2)c([C@H](Br)CC2C[C@@H]3C[C@H]3C2)c1 2299531539 WVNVHKQLYDPMHB-MBOZVWFJSA-N 450.214 6.900 50 10 JKGE Cc1ccc(-c2nc(C(C#N)=CC3=Cc4ccccc4O[C@H]3C)sc2NC(=O)c2ccco2)cc1 2314432586 CWPJMBAQMKNIHU-SFHVURJKSA-N 479.561 6.735 50 10 JKGE C[C@@H]1Oc2ccccc2C=C1C=C(C#N)c1nc(-c2ccccc2)c(NC(=O)c2ccco2)s1 2314433561 PASZMPXXNYWERW-KRWDZBQOSA-N 465.534 6.427 50 10 JKGE N#CC(=Cc1ccc(-c2ccc([N+](=O)[O-])cc2Cl)o1)c1nc(O)c2c3c(sc2n1)CCCC3 2314457089 ZDSKXKDZBGNGAC-UHFFFAOYSA-N 478.917 6.161 50 10 JKGE N#CC(=Cc1ccc(-c2cccc(Cl)c2Cl)o1)C(=O)Nc1ccc(Cl)c(Cl)c1 2314572212 WDTMWBBVOXXOMB-UHFFFAOYSA-N 452.124 7.106 50 10 JKGE COc1ccc(N2C(=O)[C@@H](Cc3ccc(C)c(C)c3)SC2=C(C#N)C(=O)Nc2ccccc2)cc1 2314592005 JNXPJLBYIIMCGP-RUZDIDTESA-N 483.593 5.377 50 10 JKGE CCOc1cc(C=C2C(=O)N(C)C(=O)C(C#N)=C2C)ccc1OCc1ccc(Cl)cc1Cl 2314617572 FFWIJHZSFHXXTF-UHFFFAOYSA-N 471.340 5.193 50 10 JKGE COc1ccc(CCN(Cc2ccccc2)C2(CBr)CCC2)c(Br)c1 2317219776 DJFUWLCFMRIQMQ-UHFFFAOYSA-N 467.245 5.820 50 10 JKGE CCCOc1ccc(C=NNC(=O)c2ccc(-c3ccc(Cl)cc3Cl)nc2C)cc1OCC 2321242172 HHMWBUABQRETDC-UHFFFAOYSA-N 486.399 6.315 50 10 JKGE BrCC1(Cc2ccc(I)c(Br)c2)CC2(CCC2)C1 2325231315 XWIYPNSZYLDOGP-UHFFFAOYSA-N 484.013 5.942 50 10 JKGE COc1cc(C=CC(O)=C(C#N)c2nc(-c3ccc4ccccc4c3)cs2)ccc1OC(C)=O 2331237837 KIHZXGWMLWZSFT-UHFFFAOYSA-N 468.534 6.403 50 10 JKGE C[C@@H](c1ccccc1)N1C[C@H](C(O)=C(C#N)c2nc(-c3ccc4c(c3)CCCC4)cs2)CC1=O 2331239813 CKBQUROXNDDAGC-FDDCHVKYSA-N 469.610 6.091 50 10 JKGE COc1c(C)cc(C)cc1-c1csc(C(C#N)=C(O)CNC(=O)c2ccc(Cl)cc2)n1 2331371992 YHNQALPMSMIFSQ-UHFFFAOYSA-N 453.951 5.312 50 10 JKGE COc1ccc(-c2csc(C(C#N)=C(O)[C@@H](C)Oc3ccccc3C(C)C)n2)c2ccccc12 2331406412 JVYISXVYTFTWQI-GOSISDBHSA-N 470.594 7.355 50 10 JKGE N#CC(=Cc1c(OCc2ccccc2)ccc2ccccc12)c1nc(-c2ccc3c(c2)CCCC3)cs1 2331416631 KPVGCATZRYWAFV-UHFFFAOYSA-N 498.651 8.485 50 10 JKGE CCCCCCCOc1ccc(-c2csc(C(C#N)=Cc3ccc(Cl)cc3Cl)n2)cc1 2331459702 LTEDBIPCZYOYBL-UHFFFAOYSA-N 471.453 8.530 50 10 JKGE CC(C)([C@@H](Br)c1c(Cl)cc(Br)c(F)c1Br)C(F)(F)F 2337081939 FIEGNYFTRGPHCC-VIFPVBQESA-N 491.342 7.029 50 10 JKGE C[C@@H]1CCC[C@](CBr)(OCc2cc(Br)cc(Br)c2)C1 2337096804 IUSJXMGJIJDVAI-ABAIWWIYSA-N 455.028 6.072 50 10 JKGE C[C@H]1CCC[C@](CBr)(OCc2cc(Br)cc(Br)c2)C1 2337096810 IUSJXMGJIJDVAI-NHYWBVRUSA-N 455.028 6.072 50 10 JKGE CCCc1sc(Br)cc1[C@H](Br)c1c(Br)cnn1CC 2338024054 OYIVSEHXUDPFPB-LBPRGKRZSA-N 471.056 5.926 50 10 JKGE COc1cc(Cl)cc(CBr)c1OCc1sccc1I 2338755358 PBCVUKOQNMSWRT-UHFFFAOYSA-N 473.557 5.489 50 10 JKGE Cc1cc(Br)c(F)c(Br)c1[C@H](Cl)c1ccc(OCc2ccccc2)cc1 2339653358 IPOATZLLWPBBJN-HXUWFJFHSA-N 498.617 7.566 50 10 JKGE COc1c(Br)cc(C)c([C@@H](Br)[C@H](C)C(C)(C)C)c1Br 2339654690 UMIMLSGFJGWQJW-CABZTGNLSA-N 457.044 6.647 50 10 JKGE Clc1ccc(C[C@@]2(CBr)CCCC23CCC3)c(I)c1 2341050097 MYQBVPLUNJTCAJ-MRXNPFEDSA-N 453.589 6.223 50 10 JKGE Cc1scc([C@@H](Br)c2cc(Br)cc3c2OCC3)c1Br 2343554807 BRBIXCWFSXKQAR-ZDUSSCGKSA-N 467.020 6.001 50 10 JKGE Fc1cc(OCc2ccc(I)c(Br)c2)ccc1CBr 2349802610 BRANLUJJUQEHOI-UHFFFAOYSA-N 499.943 5.667 50 10 JKGE Fc1c(Br)cc(Cl)c([C@H](Cl)C[C@@H]2C[C@@H]2C(F)(F)F)c1Br 2362222422 IGKVUISRDUMNQT-KZLJYQGOSA-N 458.902 6.873 50 10 JKGE COc1c(Br)cc(C)c([C@H](Br)[C@@H](C)CC(C)(C)C)c1Br 2365192063 UHNNPTMSUUMMNB-GXFFZTMASA-N 471.071 7.037 50 10 JKGE Cc1cc(Cl)cc([C@@H](Br)c2c(C)cc(Br)c(F)c2Br)c1 2365214855 FDDKWBDIUQPXIT-CYBMUJFWSA-N 485.416 7.105 50 10 JKGE COc1c(Br)cc(C)c([C@H](Br)[C@H]2CC[C@@H](OC)C2)c1Br 2365216156 RHHCTAKOWSULFW-OPQQBVKSSA-N 471.027 5.780 50 10 JKGE Cc1cc(Br)c(F)c(Br)c1[C@H](Br)C1C[C@H]2CCC[C@@H]2C1 2365225107 FZVYAYHRIXOSNV-GPCCPHFNSA-N 469.030 6.921 50 10 JKGE CCOc1ccc(Br)cc1[C@H](Cl)c1ccc(Cl)cc1I 2365596587 ABZWLGYBIBBHDN-OAHLLOKOSA-N 485.974 6.434 50 10 JKGE C[C@@H](Cl)CN(C(=O)c1ccc(I)c(Br)c1)C1CCCC1 2368850687 GGKNEOAVRRBQSY-SNVBAGLBSA-N 470.576 5.066 50 10 JKGE CC1CCC([C@H](CBr)NCc2ccc(Cl)cc2I)CC1 2379743855 FZBFABBSKMHFAR-PPUFBPAQSA-N 470.620 5.624 50 10 JKGE CC(C)(C)OC(=O)N[C@@H]1CN(C[C@](C)(CBr)C(C)(C)C)CC[C@H]1C(F)(F)F 2380188226 YLEMQOWJNFWFNZ-LBTNJELSSA-N 459.391 5.211 50 10 JKGE Clc1cccc(C[C@H](CBr)Cc2cc(I)ccc2Cl)c1 2380531839 VGANWCXARWMBST-LBPRGKRZSA-N 484.002 6.394 50 10 JKGE COc1cccc(/C=C(\C#N)C(=O)Nc2ccc([N+](=O)[O-])cc2O)c1OCc1cccc(Cl)c1 12555930 SCLBRUSRSYIKHA-GZTJUZNOSA-N 479.876 5.087 50 10 JKGE Cc1ccc(N2C(=O)[C@@H](Cc3ccccc3C)S/C2=C(\C#N)C(=O)Nc2ccccc2)cc1 16739834 RSJUMUKSVXJTMQ-GUNDDFSMSA-N 453.567 5.368 50 10 JKGE CCc1ccccc1N/C(SCc1ccc(Cl)cc1)=C(/C#N)S(=O)(=O)c1ccccc1 20325376 NKLQAJUEYAALBG-WCWDXBQESA-N 469.031 6.414 50 10 JKGE CCc1cccc(CC)c1N/C(SCc1cccc(F)c1)=C(/C#N)S(=O)(=O)c1ccccc1 20325434 LNJDPNUEXAAGFA-SHHOIMCASA-N 480.630 6.462 50 10 JKGE Cc1nn(-c2ccccc2)c(Cl)c1/C=N/NC(=O)[C@@H]1CC1(c1ccccc1)c1ccccc1 27496481 AEMKSHYFURCHEW-BULNNFJJSA-N 454.961 5.290 50 10 JKGE COc1ccc(/C(C#N)=C\c2ccc(OC(=O)c3cccc(Br)c3)cc2)cc1OC 31900920 SUKGMRIUQRHFHW-UNOMPAQXSA-N 464.315 5.750 50 10 JKGE CCc1ccc(OCCOc2ccc(/C=C(/C#N)C(=O)NCc3ccco3)cc2Cl)cc1 33705133 FCYXPOHWKVOASD-ZHZULCJRSA-N 450.922 5.177 50 10 JKGE Cc1ccc(NC(=O)/C(C#N)=C\c2c(Oc3cc(C)ccc3C(C)C)nc3ccccn3c2=O)cc1 34262339 SUOJTDJVFWFQJL-PGMHBOJBSA-N 478.552 5.773 50 10 JKGE COc1cc(/C=C(\C#N)c2nc(-c3ccc(F)cc3)cs2)ccc1OCC(=O)Nc1ccccc1 35519945 TXHQVNFHYRUHQG-DEDYPNTBSA-N 485.540 6.039 50 10 JKGE CCOc1cc(/C=C2/C(=O)N(CC(C)C)C(=O)C(C#N)=C2C)ccc1OCc1ccccc1Cl 38605779 QTQJVJUYSSZHET-CIAFOILYSA-N 478.976 5.566 50 10 JKGE N#CC1=C(N)Oc2cc(OC(=O)Cc3ccc(Cl)cc3)ccc2[C@@H]1c1ccccc1Cl 38651100 IYTDLRRRANICAP-QHCPKHFHSA-N 451.309 5.360 50 10 JKGE N#CC1=C(N)Oc2cc(OC(=O)c3cccc4ccccc34)ccc2[C@@H]1c1cccc(Br)c1 38651522 AKITVZKQEIVXOM-VWLOTQADSA-N 497.348 6.040 50 10 JKGE CCCCOc1ccc(C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@@H]3c2ccc([N+](=O)[O-])cc2)cc1 38654746 QUUGTAQSBRLFLR-RUZDIDTESA-N 485.496 5.211 50 10 JKGE COc1ccc(CC(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@@H]3c2ccc(Cl)cc2Cl)cc1 38655624 IUQBGFQLVXCNDE-XMMPIXPASA-N 481.335 5.368 50 10 JKGE COc1c(Cl)cc(C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@@H]3c2ccc(C)cc2)cc1Cl 38686978 JAVWNJKZHTZBQL-JOCHJYFZSA-N 481.335 5.748 50 10 JKGE N#C/C(=C\c1ccc(-c2c(Cl)cccc2Cl)o1)C(=O)Nc1ccc(Cl)c(Cl)c1 39884652 XXWCKQCWWRBELH-DHZHZOJOSA-N 452.124 7.106 50 10 JKGE Cc1c(C(=O)Nc2cccc3ccccc23)oc2c1/C(=N/NC(=O)c1ccc(O)cc1)CCC2 40812068 LJZUUMKQZYTLTN-QUPMIFSKSA-N 453.498 5.170 50 10 JKGE CCOc1ccc([C@@H](O)CCC(=O)N/N=C/c2ccc(-c3ccc(Br)cc3)o2)cc1 58892739 ITBPYPFGMLZWPS-XAOCGEIJSA-N 471.351 5.072 50 10 JKGE COc1ccc(/C=N/NC(=O)c2cc3cc(Br)ccc3o2)cc1OCc1ccccc1 59445131 IRBVRBLDJGLSDC-VULFUBBASA-N 479.330 5.547 50 10 JKGE CC(C)Cc1ccc([C@@H](C)C(=O)NNC(=O)COc2ccc(C(C)C)cc2Br)cc1 66199339 IQFJPRMHRBNZNC-QGZVFWFLSA-N 475.427 5.101 50 10 JKGE COc1ccc(NC(=O)/C(C#N)=C\c2ccc(OC)c(OC(=O)c3cccc4ccccc34)c2)cc1 97994778 LADOQEHQVOLOEZ-PGMHBOJBSA-N 478.504 5.622 50 10 JKGE CCc1ccc(N2C(=O)[C@H](Cc3ccc(C)cc3)S/C2=C(/C#N)C(=O)Nc2ccccc2)cc1 101244338 JXKUAHGFKLZZGN-UZEPBSNMSA-N 467.594 5.622 50 10 JKGE CCOc1ccc(N2C(=O)[C@@H](Cc3ccc(C)cc3)S/C2=C(/C#N)C(=O)Nc2ccc(C)cc2)cc1 101246208 CIWBLTIYEIRNNZ-SJCFVWOQSA-N 497.620 5.767 50 10 JKGE Cc1cc(Br)ccc1[C@H](Br)c1cc2c(cc1Br)OCCO2 109865486 MMXTXFRCHNDEBF-INIZCTEOSA-N 476.990 5.776 50 10 JKGE ClCCc1nc2cc(Cl)c(Cl)cc2n1-c1cccc(I)c1 125167788 MJJZOKMRINEMGN-UHFFFAOYSA-N 451.522 5.718 50 10 JKGE Fc1cc([C@H](Br)c2ccc(Br)c3ccccc23)ccc1Br 127464903 VXBVUKKKQHGKHN-KRWDZBQOSA-N 472.977 6.988 50 10 JKGE Cc1cc(Br)c([C@@H](Cl)c2cccc(S(C)(=O)=O)c2)cc1Br 128722418 JFXIYIHHXWKCNL-HNNXBMFYSA-N 452.595 5.252 50 10 JKGE C[C@@H](Cl)c1nc2cc(I)c(F)cc2n1Cc1sccc1Br 148419230 GKJLODXMNLHQKT-SSDOTTSWSA-N 499.574 5.952 50 10 JKGE CC(C)Oc1ccc([C@@H](Br)c2cc(Br)ccc2Br)cc1 161087659 YQDIXEPSNFQLDK-MRXNPFEDSA-N 463.007 6.483 50 10 JKGE Fc1ccc([C@H](Br)c2cc(Br)ccc2Br)c2ccccc12 161102532 FTKCIABTVOBELF-KRWDZBQOSA-N 472.977 6.988 50 10 JKGE CC[C@@H](C)N1C(=O)C(C#N)=C(C)/C(=C/c2cn(-c3ccccc3)nc2-c2ccc(F)cc2)C1=O 214255414 ZMLTUQNGJYUOGD-NQRZERFFSA-N 454.505 5.069 50 10 JKGE COc1ccc([C@@H](Cl)c2cc(Br)ccc2I)cc1C 234975568 ANPBABGMWCPQEG-OAHLLOKOSA-N 451.529 5.699 50 10 JKGE Fc1ccc([C@@H](Br)c2cc(Cl)sc2Cl)c(I)c1 236174339 JOAADJHEOWXBOI-SNVBAGLBSA-N 465.940 6.283 50 10 JKGE Fc1ccc([C@H](Br)c2cc(Cl)cc(Br)c2)cc1Br 236245771 QGIDRRDPKJLKMM-ZDUSSCGKSA-N 457.362 6.488 50 10 JKGE C[C@@H]1[C@@H](NC(=O)[C@@H](c2ccc(F)cc2)N(Cc2cccs2)C(=O)CCl)CCC[C@H]1C 252586495 QMKGVXLWWQBNPZ-JRFJLEBRSA-N 451.007 5.137 50 10 JKGE CC(C)c1ccc(C=NNC(=O)c2ccc(CN3c4cccc5cccc(c45)S3(=O)=O)cc2)cc1 254340471 LQQSQDUOSBPQEH-UHFFFAOYSA-N 483.593 5.436 50 10 JKGE CCCCCOc1ccc(C=NNC(=O)c2[nH]c3ccc([N+](=O)[O-])cc3c2-c2ccccc2)cc1 254837329 VHMTVRHRHQPXAQ-UHFFFAOYSA-N 470.529 6.076 50 10 JKGE O=C(NN=Cc1ccc(OCc2ccc(Cl)c(Cl)c2)cc1)c1ccc(COc2ccccc2)o1 254869073 ZDUQNOQIDOUKDW-UHFFFAOYSA-N 495.362 6.508 50 10 JKGE FC1(F)CCC[C@@H]1COc1c(Br)cc(CBr)cc1Br 381506276 JZUJZGFLDAFRSG-SECBINFHSA-N 462.954 5.921 50 10 JKGE Fc1cc([C@@H](Cl)c2cc(I)ccc2Br)c(F)c(F)c1F 395578358 TVPLSPGNPQGZSU-JTQLQIEISA-N 479.436 5.938 50 10 JKGE CCn1cc([C@@H](Cl)c2cc(Br)sc2Br)nc1Br 698498022 QQNWITVGSZGZCH-QMMMGPOBSA-N 463.420 5.580 50 10 JKGE Fc1cc(F)c([C@@H](Br)c2scc(Br)c2Br)cc1F 705424230 HHDPREFTJYLZRN-SECBINFHSA-N 464.926 6.175 50 10 JKGE C[C@@H]1CCN(Cc2ccccc2)C[C@H]1n1c(CCl)nc2cc(I)c(F)cc21 716299242 JZSOYURNJNMDKL-JLTOFOAXSA-N 497.783 5.602 50 10 JKGE CC(C)(C)c1ccc(C=NNC(=O)c2ccccc2NC(=O)c2cccc(Br)c2)cc1 1084102442 BEJHFMJNUOBOBK-UHFFFAOYSA-N 478.390 5.763 50 10 JKGE O=C(CC[C@H](O)c1ccccc1)NN=Cc1ccc(OCc2ccc(Cl)c(Cl)c2)cc1 1084237705 GXPMISGOBIURCR-QHCPKHFHSA-N 457.357 5.536 50 10 JKGE Cc1ccc(-n2c(C)cc(C=NNC(=O)c3ccc(CSc4ccccc4)cc3)c2C)c(C)c1 1084556662 QTOUYBFHQFGRHC-UHFFFAOYSA-N 467.638 6.767 50 10 JKGE COc1cccc(C=NNC(=O)CSc2nc3ccccc3s2)c1OCc1ccc(F)cc1 1772760617 YVLQDSLWSKQKPZ-UHFFFAOYSA-N 481.574 5.265 50 10 JKGE CC(C)(C)c1ccc([C@H]2C(C#N)=C(N)Oc3c2c(-c2ccccc2)nn3Cc2cccc(F)c2)cc1 1865682037 DNWBAPCHCZNSGQ-VWLOTQADSA-N 478.571 6.253 50 10 JKGE N#CC1=C(N)Oc2c(c(-c3ccccc3)nn2-c2cccc(Cl)c2)[C@H]1c1c(F)cccc1Cl 1865682617 SWXHCTPFCPUSAD-HXUWFJFHSA-N 477.326 6.203 50 10 JKGE N#CC1=C(N)Oc2c(c(C(F)(F)F)nn2Cc2cccc(F)c2)[C@H]1c1c(Cl)cccc1Cl 1865686401 VGDARURSZAKJKB-OAHLLOKOSA-N 483.252 5.614 50 10 JKGE CCCCOc1ccc([C@H]2C(C#N)=C(N)Oc3c2c(C)nn3-c2ccccc2Cl)cc1OCC 1865686798 BDWIQQPFTCLDKO-DEOSSOPVSA-N 478.980 5.630 50 10 JKGE CCOc1ccc([C@@H]2C(C#N)=C(N)Oc3c2c(CC)nn3-c2ccc(Cl)c(Cl)c2)cc1OC 1865695709 ROIFTTHNDDOLLP-OAQYLSRUSA-N 485.371 5.367 50 10 JKGE CCCOc1ccccc1[C@H]1C(C#N)=C(N)Oc2c1c(-c1ccccc1)nn2Cc1ccccc1F 1865702941 ISUAYWQFDDIHTQ-VWLOTQADSA-N 480.543 5.744 50 10 JKGE Cc1nc(-c2ccc(F)cc2F)ccc1C(=O)NNC(=O)[C@@H](Cc1ccccc1)c1ccccc1 1865759526 FIBXAVBTTOWSOD-DEOSSOPVSA-N 471.507 5.123 50 10 JKGE COc1ccc(/C=C(\C#N)C(=O)Nc2ccc(-c3nc4ccc(C)cc4s3)cc2)cc1OC 1866130481 XCQSSBQFGXYAPA-CPNJWEJPSA-N 455.539 5.835 50 10 JKGE CSCC[C@@H](NC(=O)[C@H](c1ccc(Cl)cc1)C1CC1)C(=O)Nc1ccc(SC#N)cc1 1866999463 GHUWXSREVFSYFL-RTWAWAEBSA-N 474.051 5.283 50 10 JKGE Cc1nc(C(C)C)c(C(=O)N[C@H](Cc2ccc(F)cc2)C(=O)Nc2ccc(SC#N)cc2)s1 1867154396 OZCAACQDQVCWSA-HXUWFJFHSA-N 482.606 5.267 50 10 JKGE COc1cccc(/C=C(\C#N)c2nc3cc(C)ccc3n2C)c1OCc1c(F)cccc1Cl 1872728338 XRMUROJNSJYKOP-QGOAFFKASA-N 461.924 6.326 50 10 JKGE C[C@@H](Oc1ccc(Cl)cc1Br)/C(O)=C(\C#N)c1nc(-c2cccc(Cl)c2)cs1 1872748303 RTNYUIOAMSKUKV-QNPMFDGYSA-N 496.213 7.140 50 10 JKGE CCOc1ccc(OCC)c(-c2csc(/C(C#N)=C(\O)c3ccc4nc(C)c(C)nc4c3)n2)c1 1872754714 FOXHTBXZUAWKJM-QQTULTPQSA-N 472.570 6.117 50 10 JKGE COc1ccc(Cl)cc1-c1csc(/C(C#N)=C(\O)Cc2ccc(Br)cc2)n1 1872758549 GITYKFGDQPVPMU-VLGSPTGOSA-N 461.768 6.270 50 10 JKGE CC(C)c1csc(/C(C#N)=C/c2ccc(OCc3ccccc3)c(OCc3ccccc3)c2)n1 1872791944 YTYHCKAWOZBSML-MFKUBSTISA-N 466.606 7.489 50 10 JKGE COc1ccc(OC)c(/C=C/C(O)=C(\C#N)c2nc(-c3ccc(-c4ccccc4)cc3)cs2)c1 1873940911 MYWIMODJWUHUHS-JSLGJKACSA-N 466.562 7.000 50 10 JKGE C[C@](F)(CO[C@H](CI)c1ccc(Br)cc1)C(F)(F)F 1876652681 ZBFXIUDKBLTGLB-MNOVXSKESA-N 455.027 5.232 50 10 JKGE FC(F)(CBr)[C@H]1CCN(Cc2ccc(Br)cc2Br)C1 1892733227 UBDORUFDTXICBB-JTQLQIEISA-N 461.970 5.064 50 10 JKGE Clc1cscc1[C@@H](Br)c1cc(Br)ccc1OCc1ccccc1 1899861824 KVSCZMQHPUCQNU-SFHVURJKSA-N 472.629 7.227 50 10 JKGE Cc1sc(Br)cc1[C@@H](Cl)c1sc(Cl)cc1I 1900919717 QLVGWCAOTAQMHY-SECBINFHSA-N 468.006 6.467 50 10 JKGE ClCC1(N(Cc2ccccc2)Cc2cc(I)ccc2Cl)CCC1 1905033955 SNWSNJSWLZMNPU-UHFFFAOYSA-N 460.186 6.108 50 10 JKGE CO[C@](C)(COCc1ccccc1)Cn1c(CCl)nc2c(Br)cc(F)cc21 1912654119 PYNLDBFJZQAAOL-FQEVSTJZSA-N 455.755 5.299 50 10 JKGE CCOc1ccc(Br)cc1[C@@H](Br)c1cc(C)c(Br)o1 1917594466 FFBBWWYNEQMOCR-CYBMUJFWSA-N 452.968 5.996 50 10 JKGE COc1cc(Cl)ccc1[C@@H](Br)c1sc(Br)c(C)c1Br 1922882785 NHSJCYAZWSLUOD-LLVKDONJSA-N 489.454 6.728 50 10 JKGE Fc1cccc([C@@H](Br)c2sc(Br)cc2Br)c1Cl 1922934541 HQJRKYXJFLBRAV-SECBINFHSA-N 463.391 6.550 50 10 JKGE FC1(F)CCC[C@@H]1C[C@H](Cl)c1c(Br)sc(Br)c1Br 1924612619 CMBXAIYYMUVKAT-RITPCOANSA-N 487.429 7.141 50 10 JKGE CCc1cc(Br)c([C@H](Br)c2ccc(OCc3ccccc3)cc2)s1 1942102968 ZOCBIZAWQAUZLP-LJQANCHMSA-N 466.238 7.136 50 10 JKGE CN(CCN(Cc1ccccc1)S(=O)(=O)c1cc(CCl)ccc1Cl)Cc1ccccc1 1946826992 LHLMOKVXBWPWQB-UHFFFAOYSA-N 477.457 5.402 50 10 JKGE Cl[C@H](c1c(Br)sc(Br)c1Br)[C@H]1[C@H]2COC[C@H]21 1982232195 LLIFLAWZLMWJHL-WVBYAZCYSA-N 451.405 5.208 50 10 JKGE Cn1nc([C@@H](Br)c2cc(Cl)c(Br)s2)c(Br)c1Cl 2001990232 BSOBOYZOKPDMOC-YFKPBYRVSA-N 483.838 5.798 50 10 JKGE C=CCC(CBr)(CBr)Cc1cc(Br)ccc1Br 2006503627 QFWJQIVUSQYCCC-UHFFFAOYSA-N 489.871 6.106 50 10 JKGE Cc1c(Br)sc([C@H](Br)[C@@H]2C[C@@]2(C)C(F)F)c1Br 2008187329 SKFJWLJQFGGBQN-AODONOJDSA-N 452.984 6.309 50 10 JKGE ClC[C@@H](I)[C@@H](CCl)OCc1cc(Cl)ccc1Br 2022699254 QZZNOQYEQZRUPG-GHMZBOCLSA-N 472.375 5.269 50 10 JKGE COc1ccc([C@H](Cl)c2csc(Br)c2Br)c(Br)c1 2032958566 HGDXDLCMIFZSDU-NSHDSACASA-N 475.427 6.372 50 10 JKGE CCc1ccc([C@@H](Br)c2csc(Br)c2Br)cc1CC 2093942676 XXFDMNZHNBCWIC-CYBMUJFWSA-N 467.064 6.882 50 10 JKGE Clc1cc([C@@H](Cl)c2cc(C3CC3)c(Br)s2)ccc1I 2094672741 CFFJXFJNNIHPBN-CYBMUJFWSA-N 488.015 6.974 50 10 JKGE Brc1cccc(Br)c1C[C@@H]1C[C@@H]2CCCC[C@H]2[C@H]1Br 2095362352 JERIBSXAYIVUTD-OVZMXSCWSA-N 451.040 6.344 50 10 JKGE Cc1cc(Br)c([C@H](Br)[C@H]2CCC[C@@H](C)CC2)cc1Br 2100835743 LVYGROQATMHJLD-RSAASHCRSA-N 453.056 7.172 50 10 JKGE Cc1cccc([C@@H](Br)Cc2c(Cl)cccc2Cl)c1I 2104785896 ZVIVHAGOXJVHER-LBPRGKRZSA-N 469.975 6.585 50 10 JKGE CC(C)(C)OC(=O)NC[C@H]1CC[S@](=O)(=NCCCCCCCCCBr)C1 2106782327 PNZGAOLLEUBAEE-WGDIFIGCSA-N 453.487 5.125 50 10 JKGE Cc1nc([C@H](Br)c2cc(Cl)c(Cl)c(Cl)c2Cl)c(Br)s1 2113189415 KMFUURYVKFMOJW-ZCFIWIBFSA-N 484.855 7.312 50 10 JKGE COc1c(Cl)cc(Br)cc1[C@@H](Br)c1nn(C)cc1Br 2138245188 BIFLNGFGPHZGEY-SNVBAGLBSA-N 473.390 5.091 50 10 JKGE Brc1ccc([C@H](Br)c2cc3c(s2)CCCC3)c(Br)c1 2138849615 FMTSFCCKJUJNRL-HNNXBMFYSA-N 465.048 6.636 50 10 JKGE Brc1ccc([C@H](Br)[C@H]2C[C@@H]2C2CCOCC2)c(Br)c1 2138849748 FPCZXDFBFPLOKY-IPYPFGDCSA-N 453.012 5.710 50 10 JKGE CC[C@@]12CC[C@@]([C@@H](Br)c3ccc(Br)cc3Br)(CO1)C2 2138855427 WXXXNBGTWQJJJM-KKUMJFAQSA-N 453.012 5.997 50 10 JKGE CCCC[C@@H](C)CC[C@@H](Br)c1cc(Br)c(C)cc1Br 2142157155 HEOROCFVZMXSNO-BXUZGUMPSA-N 455.072 7.563 50 10 JKGE CC1(C)C[C@@H](n2c(CCl)nc3cc(Br)c(F)cc32)CN1Cc1ccccc1 2154536018 WCFWHRVDUNZPFX-OAHLLOKOSA-N 450.783 5.902 50 10 JKGE CC(C)(C)OC(=O)NC[C@@H]1CN(C[C@H](CBr)C(C)(C)C)CC[C@@H]1C(F)(F)F 2163059552 UNNKDGWPAAYAND-ILXRZTDVSA-N 459.391 5.069 50 10 JKGE Clc1cc2c(cc1[C@H](Br)c1cc(Br)c(Cl)s1)OCCO2 2172568608 DNKOOPXDRVZLPT-LBPRGKRZSA-N 458.986 6.073 50 10 JKGE O=S(=O)(c1cc(CBr)c(Cl)cc1Cl)N1CC[C@H](COCc2ccccc2)C1 2179829750 DSBIEDVBCNWCQS-HNNXBMFYSA-N 493.250 5.116 50 10 JKGE Cc1cc(Cl)c([C@@H](Br)c2cc(Cl)c(C)cc2Br)cc1Cl 2201363774 NHESIQWRNADDSB-HNNXBMFYSA-N 457.420 7.510 50 10 JKGE COc1cc(Cl)c([C@H](Br)c2ccc(Br)c(F)c2)cc1Br 2202351289 IGVNXJCWAULRJA-CQSZACIVSA-N 487.388 6.497 50 10 JKGE COc1c(Br)cc(C)cc1[C@H](Br)c1c(C)nn(C)c1Br 2203816448 ILQABKQWBCSTFK-LBPRGKRZSA-N 466.999 5.055 50 10 JKGE CCc1ccc(CC)c([C@H](Cl)c2ccc(Br)cc2I)c1 2207271054 FTNJKEUVGOXZGI-QGZVFWFLSA-N 463.584 6.507 50 10 JKGE Clc1cc(CC[C@@H](Br)CN2CCCCCC2)ccc1I 2208034873 ZYKALSWLKNNJGZ-CQSZACIVSA-N 470.620 5.517 50 10 JKGE Clc1cc(Br)ccc1C[C@H](Br)c1csc(Br)c1 2215854665 UGMUBDOZDMAMAW-JTQLQIEISA-N 459.428 6.605 50 10 JKGE CCOCc1cc(Br)c([C@H](Br)c2ccc(Br)s2)s1 2217983777 QSAPQWHHSTTWDG-LLVKDONJSA-N 475.065 6.355 50 10 JKGE Cc1ccc([C@H](Cl)Cc2sc(Br)c(Br)c2Br)cc1 2222449174 OFVILLGYBURRMH-SECBINFHSA-N 473.455 6.867 50 10 JKGE COC1(C[C@@H](Br)c2c(Br)cc(Cl)c(Cl)c2Cl)CCC1 2224302876 PTYDEZAQWLYLGP-MRVPVSSYSA-N 451.413 6.805 50 10 JKGE CCc1cscc1[C@H](Br)c1c(Br)cc(Cl)c(Cl)c1Cl 2224324012 ULJOVVFVEFGVIN-NSHDSACASA-N 463.449 7.518 50 10 JKGE Cc1c(Br)csc1[C@@H](Br)c1csc2c(Br)cccc12 2226121688 LAKREEAJEQOFBM-LBPRGKRZSA-N 481.072 7.281 50 10 JKGE Cc1cc(Br)c([C@H](Br)C(C2CC2)C2CC2)c(C)c1Br 2227349659 SKZIKIZILXNECG-INIZCTEOSA-N 451.040 6.701 50 10 JKGE Clc1cc(Cl)cc(C[C@@H](Br)c2ccc(I)c(Cl)c2)c1 2232146426 OVASLKRUNCEJLO-GFCCVEGCSA-N 490.393 6.930 50 10 JKGE FC1(F)[C@@H]2COC[C@@]21[C@H](Br)c1c(Br)cc(Cl)c(Cl)c1Cl 2232514025 SRKHRZXAUGCTFY-PFZYVWIYSA-N 471.350 6.127 50 10 JKGE Fc1cc(Br)cc2c1nc(CCl)n2CC1CCN(Cc2ccccc2)CC1 2232928409 JOXVRBYYUIHBLG-UHFFFAOYSA-N 450.783 5.589 50 10 JKGE Cc1cc(Br)c([C@H](Br)C[C@H]2C[C@H]3CC[C@H]2C3)c(C)c1Br 2235603013 GJXYRRGBXQXZIN-RMRHIDDWSA-N 465.067 7.091 50 10 JKGE Fc1cccc(I)c1[C@@H](Br)c1sccc1Br 2243445835 FLYQPGZWKCSLOD-SNVBAGLBSA-N 475.946 5.739 50 10 JKGE CC(C)c1ncc2nc(CCCl)n(CCCN(Cc3ccccc3)Cc3ccccc3)c2n1 2266525562 JBIQOGHJWYMFCC-UHFFFAOYSA-N 462.041 5.824 50 10 JKGE COC[C@@H]1CC[C@@H]([C@@H](Br)Cc2cc(Br)cc(Br)c2)C1 2277954899 GHYGGRFANNOJRT-HCKVZZMMSA-N 455.028 5.580 50 10 JKGE Fc1cc([C@@H](Cl)Cc2cc(Br)cc(Br)c2)ccc1Br 2277956655 PULTXAQAWKEYGM-ZDUSSCGKSA-N 471.389 6.636 50 10 JKGE Cc1sc(Br)c([C@@H](Br)c2cc(Br)cc(C(C)C)c2)c1C 2280676489 GHKVJNHWYNIBMS-HNNXBMFYSA-N 481.091 7.498 50 10 JKGE COC1([C@@H](Br)c2c(C)c(Br)cc(C)c2Br)CC(CF)C1 2281167621 CHVIYMYOSSZMQJ-CUMGRINNSA-N 473.018 6.029 50 10 JKGE C[C@@H]1CC([C@H](Br)c2c(F)cc(Br)c(F)c2Br)C[C@@H](C)O1 2288497900 ZHZRZPCUILCNAB-QHMRUWFYSA-N 476.981 6.129 50 10 JKGE CC1(C)CCC(C)(C)[C@H](Br)[C@H]1Cc1cc(Cl)ccc1I 2290332676 KEGTVPAOALGSHN-UKRRQHHQSA-N 469.632 6.713 50 10 JKGE CCCCCCCOc1ccc(C=C(C#N)C(=O)Nc2ncc(Cc3cccc(C)c3)s2)cc1 2293038958 MCALZSHUXCJYAD-UHFFFAOYSA-N 473.642 6.937 50 10 JKGE COc1ccc(C[C@@H]2SC(=C(C#N)C(=O)Nc3ccc(C)cc3)N(c3ccc(C)c(C)c3)C2=O)cc1 2296507046 QOVLCFUCSQMTIO-SANMLTNESA-N 497.620 5.685 50 10 JKGE FC(F)(F)C(F)(F)C(F)(F)C(CC=CCBr)(C(F)(F)F)C(F)(F)F 2296557487 PPTIBUNHUKAXDS-UHFFFAOYSA-N 453.036 6.272 50 10 JKGE C=CCOc1ccc(-c2nn(-c3ccccc3)cc2C=C(C#N)C(=O)Nc2ccc(OCC)cc2)cc1 2296729547 XDRIZRUYRGVUQA-UHFFFAOYSA-N 490.563 6.048 50 10 JKGE CC(C)OC(=O)c1ccc(NC=C(C#N)c2nc(-c3ccc(Cl)cc3Cl)cs2)cc1 2296798489 ZYPWFNXSYIHWAW-UHFFFAOYSA-N 458.370 6.659 50 10 JKGE COc1cc(C=C(C#N)C(=O)N[C@@H]2CCCC[C@H]2C)ccc1OCc1cccc(C(F)(F)F)c1 2297381621 CVEPLCGGEHYSOL-VGOFRKELSA-N 472.507 5.895 50 10 JKGE COC(=O)c1ccccc1NC(=O)C(C#N)=Cc1ccc(OCc2ccccc2Cl)c(OC)c1 2297491196 VRKYDXRHDHDXBA-UHFFFAOYSA-N 476.916 5.260 50 10 JKGE CCOc1cc(C=C(C#N)C(=O)Nc2ccc(C)cc2)c(Br)c(Br)c1O 2313571570 ZIJAWGWLSYONEU-UHFFFAOYSA-N 480.156 5.170 50 10 JKGE N#CC(=Cc1cc(Br)ccc1OCc1ccccc1)C(=O)Nc1ccccc1F 2313631844 WXOGALJZZPHVOA-UHFFFAOYSA-N 451.295 5.713 50 10 JKGE Brc1cc(OCc2ccccc2)ccc1[C@@H](Br)[C@@H]1CCCC2(CC2)C1 2314456137 USIJDNFEUHPFPZ-UTKZUKDTSA-N 464.241 7.435 50 10 JKGE FC(F)(F)COCC[C@H](Br)c1ccc(OCc2ccccc2)cc1Br 2314500698 QFHHGJLUUUOSPK-INIZCTEOSA-N 482.134 6.433 50 10 JKGE N#CC(=Cc1ccc(-c2cc(Cl)cc(Cl)c2)o1)C(=O)Nc1ccc(Cl)cc1Cl 2314571132 BNDKFBQEDVEOAX-UHFFFAOYSA-N 452.124 7.106 50 10 JKGE COc1ccc(CCN2C(=O)C(=CNc3ccc(N=Nc4ccccc4)cc3)C(C)=C(C#N)C2=O)cc1 2314578905 CZWLPSOORUZCFC-UHFFFAOYSA-N 491.551 5.858 50 10 JKGE CCCOc1ccc(-c2nn(-c3ccccc3)cc2C=C2C(=O)N(C(C)C)C(=O)C(C#N)=C2C)cc1C 2314610859 NDOHQMNKPJUYPO-UHFFFAOYSA-N 494.595 5.637 50 10 JKGE CC1=C(C#N)C(=O)N(C2CCCCC2)C(=O)C1=Cc1ccc(-c2ccc(Cl)c(Cl)c2)o1 2314617229 UDEVLCYXSSNLER-UHFFFAOYSA-N 455.341 6.178 50 10 JKGE COc1cc(C=CC#N)ccc1OC(=O)CCCOc1ccc(C(C)C)cc1Br 2314796088 XBTAPHGJIXDSQG-UHFFFAOYSA-N 458.352 5.882 50 10 JKGE C[C@@H]([C@H](Br)c1c(Cl)cc(Br)c(F)c1Br)C(C)(F)F 2315458613 ORBOVROUNQCAMK-NVNXEXLPSA-N 473.352 6.731 50 10 JKGE CC(C)(C(F)F)[C@@H](Br)c1c(Cl)cc(Br)c(F)c1Br 2315459163 UQHOTHAUHKGETA-VIFPVBQESA-N 473.352 6.731 50 10 JKGE Cc1cc(Br)c(F)c(Br)c1[C@H](Br)C1CC(F)(F)C1 2317400403 TYPTZIDOKREOII-SECBINFHSA-N 450.918 6.140 50 10 JKGE Cc1ccc(-c2ccc(C(=O)NN=Cc3cc(Cl)cc(Br)c3O)c(C)n2)cc1C 2321230047 PMBURXLSEPZNNR-UHFFFAOYSA-N 472.770 5.559 50 10 JKGE C[C@H](c1ccncc1F)[C@@H](Br)c1csc(Br)c1Br 2321457256 AJILSKFDUOXODB-LHLIQPBNSA-N 457.988 6.047 50 10 JKGE N#CC(=C(O)c1ccc(N2CCOCC2)c([N+](=O)[O-])c1)c1nc(-c2ccc3c(c2)CCCC3)cs1 2331240303 VVAXXLQHUMAYSD-UHFFFAOYSA-N 488.569 5.384 50 10 JKGE CC(C)(C)c1ccc(OCCCC(O)=C(C#N)c2nc(-c3ccc([N+](=O)[O-])cc3)cs2)cc1 2331281506 ILCRQYVIQPUUEF-UHFFFAOYSA-N 463.559 6.668 50 10 JKGE COc1ccc(Cl)cc1N1C[C@H](C(O)=C(C#N)c2nc(-c3ccccc3)cs2)CC1=O 2331304291 YZGHCTVCIOSVAN-OAHLLOKOSA-N 451.935 5.318 50 10 JKGE COC(=O)c1ccccc1N1C[C@H](C(O)=C(C#N)c2nc(-c3ccc(C(C)C)cc3)cs2)CC1=O 2331340470 GBTMKXFYOTWOGX-LJQANCHMSA-N 487.581 5.566 50 10 JKGE N#CC(=Cc1ccc(OCc2ccccc2Cl)cc1)c1nc(-c2ccc(F)c(F)c2)cs1 2331464113 ZJUDHVKIMADZEJ-UHFFFAOYSA-N 464.924 7.385 50 10 JKGE Brc1cc(OCc2ccccc2)ccc1[C@H](Br)[C@H]1C[C@H]1c1ccccc1 2336082474 AIQFUXZXJAHXCI-FUDKSRODSA-N 472.220 7.268 50 10 JKGE Cc1ccc(C)c(C[C@H](Br)c2ccc(OCc3ccccc3)cc2Br)c1 2336084870 XSLFEVZCRLVWDQ-QFIPXVFZSA-N 474.236 7.324 50 10 JKGE Clc1ccc(CN2[C@H]3CCC[C@@H](Br)[C@H]2CC3)cc1I 2337224881 FMIYVZJVODZRHO-YWPYICTPSA-N 454.577 5.225 50 10 JKGE COC[C@@H]1CC[C@H](Cc2ccc(Cl)c(I)c2)C[C@@H]1Br 2337274058 FOPAJBWSESCFIT-WXHSDQCUSA-N 457.577 5.313 50 10 JKGE COc1c(Br)cc(C)c([C@H](Br)[C@H]2C[C@@H](C)CO2)c1Br 2339657593 ZKNHTUHAQAAHCP-NYRNMGCKSA-N 457.000 5.390 50 10 JKGE ClCc1cccc(Br)c1OCc1cc(I)ccc1Cl 2352350450 LKZYNRWNGFUCKH-UHFFFAOYSA-N 471.947 6.025 50 10 JKGE Cc1c(Br)ccc([C@H](Br)[C@H]2C[C@@H](C(F)(F)F)C2)c1Br 2352759147 QFWKPGKGDHYLPS-RGNHYFCHSA-N 464.945 6.545 50 10 JKGE FC1(F)CCC[C@@H]2[C@@H]([C@H](Br)Cc3cc(Br)cc(Br)c3)[C@@H]21 2360163975 YHLPLMIRKQLJGW-YIYPIFLZSA-N 472.993 6.199 50 10 JKGE ClCc1cc(Cl)cc(Cl)c1OCc1ccc(Cl)c(I)c1 2362428426 UULIMPAHKWPKPJ-UHFFFAOYSA-N 461.941 6.569 50 10 JKGE Cc1cc(C)c([C@@H](Cl)c2c(Br)c(Br)nn2C)c(C)c1Br 2364064091 OCQDJGKPZVKEHX-GFCCVEGCSA-N 485.445 5.961 50 10 JKGE Cn1nc(Br)c(Br)c1[C@@H](Br)c1ccc2c(c1)CCCC2 2364064917 XATUQAVUYIODOJ-LBPRGKRZSA-N 463.011 5.308 50 10 JKGE CCCCO[C@@H]1[C@@H](Cl)C[C@@H]1OCc1cc(I)ccc1Br 2367601620 LJCGFMBVDXATFH-SOUVJXGZSA-N 473.576 5.135 50 10 JKGE ClC[C@@H](Cc1cccc(Cl)c1)Cc1ccc(I)c(Br)c1 2377330072 OIMFLKDHPCONTO-ZDUSSCGKSA-N 484.002 6.347 50 10 JKGE N#CC(C(=O)Nc1ccc(F)cc1)=C(SCc1ccc(F)cc1)SCc1ccc(F)cc1 3059101 NFFBBQXJCLLZHP-UHFFFAOYSA-N 470.541 6.644 50 10 JKGE COc1ccc(NC(=O)/C(C#N)=C/c2ccc(-c3ccc(Cl)cc3[N+](=O)[O-])o2)cc1OC 16439672 BDGPAFHWSWEXSK-UKTHLTGXSA-N 453.838 5.071 50 10 JKGE COc1cc(/C=N/NC(=O)[C@H](C)n2nnc3ccccc32)ccc1OCc1ccc(Cl)c(Cl)c1 20311423 JGQYYXSVOYYJNC-OWAQKBPCSA-N 498.370 5.037 50 10 JKGE N#C/C(=C/c1ccc(OC(=O)/C=C/c2ccc(Cl)cc2Cl)cc1)c1cccc(Cl)c1 31901552 PMNVTQCHZZYKCN-DZQSTKOLSA-N 454.740 7.330 50 10 JKGE CCc1ccc(OCC(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@H]3c2cccc(Cl)c2)cc1 38651244 NTSIQVOPNUGUCU-VWLOTQADSA-N 460.917 5.105 50 10 JKGE CC(C)CCOc1cccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4ccc(F)cc4)ccc32)c1 38684629 URXGTAUPRPKLHK-AREMUKBSSA-N 472.516 5.688 50 10 JKGE COc1ccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4oc5c(C)c(C)ccc5c4C)ccc32)cc1 40530340 AGJUOTCTGRWPJP-RUZDIDTESA-N 480.520 5.804 50 10 JKGE CCc1ccc2oc(C(=O)Oc3ccc4c(c3)OC(N)=C(C#N)[C@@H]4c3cccc([N+](=O)[O-])c3)c(C)c2c1 40547517 RWMOMXYRRMTBHC-RUZDIDTESA-N 495.491 5.649 50 10 JKGE CCOC(=O)c1c(NC(=O)N/N=C/c2cccc(OCc3ccccc3)c2)sc2c1CCC2 40847066 JXBNOQGQPHXNJA-CVKSISIWSA-N 463.559 5.148 50 10 JKGE Cc1ccc(S(=O)(=O)Oc2ccccc2/C=N/NC(=O)[C@@H](C)c2ccc(CC(C)C)cc2)cc1 59165357 KFWSVJGZPSYHJQ-PWIYWSIBSA-N 478.614 5.215 50 10 JKGE O=C(N/N=C1\C(=O)N(Cc2c(Cl)cccc2Cl)c2ccccc21)c1ccc(Cl)cc1 59471818 AFJSBZTYTUQHOI-QOMWVZHYSA-N 458.732 5.328 50 10 JKGE CCOc1ccc(N2C(=O)[C@H](Cc3ccc(C)c(C)c3)S/C2=C(/C#N)C(=O)Nc2ccccc2)cc1 101244717 ZKQNBMJFOHWAGN-HFVAWESISA-N 497.620 5.767 50 10 JKGE COc1ccc(NC(=O)/C(C#N)=C\c2cn(-c3ccccc3)nc2-c2ccc(Cl)cc2)cc1 102471019 KUDWDXFXSKFECF-CYVLTUHYSA-N 454.917 5.747 50 10 JKGE Brc1cccc(C[C@H](Br)c2cc3c(cc2Br)OCCO3)c1 109865564 WIOWWECJMYYZMJ-ZDUSSCGKSA-N 476.990 5.662 50 10 JKGE CCc1cc(CC)c([C@H](Cl)c2cc(Br)c(Br)s2)c(CC)c1 148042469 IWSUFZAYQNHMBA-MRXNPFEDSA-N 450.667 7.289 50 10 JKGE Cc1cc([C@H](Br)c2ccc(Br)c(Cl)c2)sc1Br 148987325 UAPHIMQNYPZTON-LLVKDONJSA-N 459.428 6.719 50 10 JKGE COc1ccc(/C=C\C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@@H]3c2ccc(C(C)(C)C)cc2)cc1 205641139 ANPWKCFSNSPETH-UROWEKJLSA-N 480.564 5.830 50 10 JKGE CC1=C(C#N)C(=O)N(Cc2ccc(C)cc2)C(=O)/C1=C\c1ccc(OCc2ccccc2F)cc1 214382833 XFPIIUHCBGNODK-MYYYXRDXSA-N 466.512 5.506 50 10 JKGE CC[C@H](NC(=O)/C(C#N)=C\NCCc1ccccc1Br)c1ccc2c(c1)CCCC2 217193586 MHVIZBQNFLNAPP-JFARUEAUSA-N 466.423 5.135 50 10 JKGE COc1ccc([C@@H](Br)c2ccc(Cl)c(Cl)c2)c(OC)c1Br 224848685 UFPNIXHSJQQVRU-ZDUSSCGKSA-N 454.973 6.257 50 10 JKGE CCOc1ccc([C@@H](Br)c2cc(C)ccc2Br)cc1Br 228996152 UCODWVHOXWFBBA-MRXNPFEDSA-N 463.007 6.403 50 10 JKGE CCCOc1ccc([C@@H](Br)c2ccc(Cl)c(Cl)c2)cc1Br 229007697 NBZDVRNRUAFBRO-MRXNPFEDSA-N 453.001 7.029 50 10 JKGE CC1(C)[C@H]2CC[C@@]1(C)[C@@H](O[C@@H](CI)c1ccc(Br)cc1)C2 231318554 RROHUFOZLOBPQH-MBGYTDRXSA-N 463.197 6.157 50 10 JKGE Brc1cc(Br)cc([C@@H](Br)c2csc3ccccc23)c1 232482729 BMBUDCXUFLXLLM-OAHLLOKOSA-N 461.016 6.911 50 10 JKGE Fc1ccc(C[C@@H](Br)c2ccc(Br)cc2Br)c(F)c1 236153785 PEAWFAJDDVLNAZ-GFCCVEGCSA-N 454.934 6.169 50 10 JKGE CCCCCCCCOc1ccc(-c2cc(C(=O)NN=Cc3ccc(C(C)(C)C)cc3)[nH]n2)cc1 254413059 QBBSJFUATAUUBV-UHFFFAOYSA-N 474.649 6.877 50 10 JKGE O=C(CSc1nc2ccccc2o1)NN=Cc1c[nH]c2ccc(OCc3ccccc3)cc12 254666701 CWJQKCOYTVQITF-UHFFFAOYSA-N 456.527 5.131 50 10 JKGE CC(C)(C)OC(=O)N1C[C@H](CBr)[C@H](c2ccc(Cl)cc2Br)C1 382692726 JIECCWZZGQRUGI-GXFFZTMASA-N 453.602 5.448 50 10 JKGE C[C@@H]1CN(Cc2ccccc2)C[C@@H]1n1c(CCl)nc2cc(I)ccc21 389849437 TYJNWGPXSRIDKF-KUHUBIRLSA-N 465.766 5.073 50 10 JKGE CN(c1cccc(Br)c1CBr)[C@H]1CCCN(Cc2ccccc2)C1 394706842 MWFIUBSGBNJNKB-KRWDZBQOSA-N 452.234 5.445 50 10 JKGE CO[C@H]1CCC[C@@H](C(CBr)(CBr)c2ccccc2Br)C1 686323289 MJJHNLWBMWVKKK-OLZOCXBDSA-N 469.055 5.682 50 10 JKGE Cn1nc(CC(CBr)(CBr)c2ccccc2Br)cc1Cl 706185471 ZUCAEKCGXYXJGO-UHFFFAOYSA-N 485.445 5.106 50 10 JKGE C=CCc1cc(/C=C(\C#N)C(=O)N(C)C)cc(Br)c1OCc1ccccc1Cl 1083925423 QYUUSVVIUOYCRX-WOJGMQOQSA-N 459.771 5.405 50 10 JKGE O=C(CSCc1ccccc1Cl)NN=C1C(=O)N(C/C=C/c2ccccc2)c2ccccc21 1083999109 OHTSAJDDAKFRPV-OOJTVLTNSA-N 476.001 5.154 50 10 JKGE CCOc1ccc(NC(=O)/C(C#N)=C\c2ccc(-c3ccc(Br)c(C)c3)o2)cc1 1084175225 FZSBIZHGPZPJCW-LGMDPLHJSA-N 451.320 5.962 50 10 JKGE COc1ccccc1OCC(=O)NN=C(C)c1ccc2c(c1)[C@@H]1C=CC[C@@H]1[C@H](c1ccc(F)cc1)N2 1084263175 APFZJCIZUUUDBK-AFKLWXAFSA-N 485.559 5.580 50 10 JKGE O=C(NN=Cc1ccc(OC(=O)c2ccccc2)cc1)c1ccc(CSc2ccccc2)cc1 1084406849 JAGCONIIBUYCNB-UHFFFAOYSA-N 466.562 5.962 50 10 JKGE O=C(NN=Cc1ccc(Cl)cc1Cl)c1ccc([C@@H]2Nc3ccccc3[C@H]3C=CC[C@@H]32)cc1 1084561568 GIMMOLPHFIGUNM-KJWPAHLWSA-N 462.380 6.584 50 10 JKGE CCOC(=O)N/N=C1/C=C2CC[C@@H]3[C@H](CC[C@]4(C)[C@@H]3C[C@@H]3CCCC[C@@]34C(C)=O)[C@]2(C)CC1 1565534997 ZGBFIPQSPKDRKC-JIDNDYDWSA-N 454.655 6.427 50 10 JKGE Cc1ccc2cccc(OC(=O)c3oc4c(c3C)C(=NNC(=O)c3ccccc3Cl)CCC4)c2n1 1772743578 CFEAUDDUQHODBY-UHFFFAOYSA-N 487.943 5.788 50 10 JKGE Cc1c(C(=O)Nc2cccnc2)oc2c1C(=NNC(=O)c1ccc(-c3ccccc3)cc1)CCC2 1772746060 ARAMEFXOWQWNFN-UHFFFAOYSA-N 464.525 5.373 50 10 JKGE COc1cc(C=NNC(=O)COc2ccc(C(C)C)c(C)c2)ccc1OCc1ccccc1C 1772753659 AIXSNHPEASIPDZ-UHFFFAOYSA-N 460.574 5.544 50 10 JKGE CCCCCCOc1ccc(C=NNC(=O)[C@H](C)Oc2cc(C)c(Cl)c(C)c2)cc1OC 1772755868 HNARMTRHPTZXKZ-IBGZPJMESA-N 461.002 5.842 50 10 JKGE N#CC1=C(N)Oc2c(c(-c3ccccc3)nn2Cc2ccccc2F)[C@@H]1c1c(F)cccc1Cl 1865685311 HYZXQPGKTCKZSW-NRFANRHFSA-N 474.898 5.748 50 10 JKGE CCCOc1ccc([C@@H]2C(C#N)=C(N)Oc3c2c(C)nn3Cc2ccccc2Cl)cc1OCC 1865688291 ONRGXXKIBOSPFO-XMMPIXPASA-N 478.980 5.299 50 10 JKGE CCCCCOc1ccc([C@H]2C(C#N)=C(N)Oc3c2c(C)nn3-c2ccc(OC)cc2)cc1OCC 1865691039 HQGQYAPUOVGSFV-SANMLTNESA-N 488.588 5.375 50 10 JKGE CCCCCCOc1ccc([C@@H]2C(C#N)=C(N)Oc3c2c(C(F)(F)F)nn3CC(C)C)cc1OC 1865697049 VLNBAGXPWQFIOE-HXUWFJFHSA-N 492.542 5.744 50 10 JKGE COc1ccc(-c2nn(-c3ccc(OC)cc3)c3c2[C@@H](c2sccc2C)C(C#N)=C(N)O3)cc1 1865699326 QOMSQXMASVKHNH-NRFANRHFSA-N 470.554 5.145 50 10 JKGE CC(C)c1ccc([C@H](CC(=O)N[C@H](C(=O)Nc2ccc(SC#N)cc2)c2ccccc2)C(C)C)cc1 1866745256 IOVGWHOTRCMMMH-PXJZQJOASA-N 499.680 7.009 50 10 JKGE N#C/C(=C(/O)CNC(=O)c1ccc(Cl)cc1Cl)c1nc(-c2ccc3c(c2)CCCC3)cs1 1872745371 KEZVKRGAMUWHSN-QOCHGBHMSA-N 484.408 6.218 50 10 JKGE Cc1ccc(-c2csc(/C(C#N)=C(\O)c3ccc4c(c3)C(=O)N(Cc3ccco3)C4=O)n2)c(C)c1 1872748654 HKVKBCXCULNFDV-GYHWCHFESA-N 481.533 5.766 50 10 JKGE CC[C@H](C)N1C(=O)c2ccc(/C(O)=C(\C#N)c3nc(-c4ccc(Cl)c(Cl)c4)cs3)cc2C1=O 1872748885 QZWGCVPHQFKHFY-FRMRLDDKSA-N 498.391 6.461 50 10 JKGE COc1ccc(-c2csc(/C(C#N)=C(\O)CCCOc3cc(C)c(Cl)c(C)c3)n2)c(C)c1C 1872753693 JEFCGIJIDUICNE-LNVKXUELSA-N 483.033 7.358 50 10 JKGE N#C/C(=C(/O)CN1C(=O)COc2ccc(Cl)cc21)c1nc(-c2ccc(Cl)s2)cs1 1872758124 MJQGDMCZQNKGNA-KAMYIIQDSA-N 464.355 5.397 50 10 JKGE CCN(Cc1ccccc1)c1ccc(/C=C(\C#N)c2nc(-c3ccc4c(c3)CCCC4)cs2)cc1 1872782503 JHFKCYHQWZUWQX-MTDXEUNCSA-N 475.661 7.780 50 10 JKGE CCN(Cc1ccccc1)c1ccc(/C=C(\C#N)c2nc(-c3ccc(OC)c(F)c3)cs2)cc1 1872792120 FURVEURHBWVXDW-HZHRSRAPSA-N 469.585 7.048 50 10 JKGE Cc1ccc(C(C)(C)C)cc1-c1csc(/C(C#N)=C/c2cccc(OCc3ccccc3)c2)n1 1872794233 QDLNKXJNFFDORE-BUVRLJJBSA-N 464.634 8.059 50 10 JKGE CC(C)(C)OC1CC([C@H](Br)c2cc(Br)c(Br)s2)C1 1913994337 MHEZFFWRJSHECQ-AYVLWNQUSA-N 461.057 6.303 50 10 JKGE C[C@H](CCBr)N(Cc1ccccc1)C(=O)Cc1ccccc1I 1915109513 GWDUIXULZKFLIV-OAHLLOKOSA-N 486.191 5.036 50 10 JKGE Clc1c(Br)sc(Br)c1[C@H](Br)C1C[C@H]2CC[C@H](C1)C2 1923071714 KLLHKGZLLHNOJW-MHYGZLNHSA-N 477.487 7.189 50 10 JKGE O=C(Nc1ccc(F)c(CBr)c1)c1cc(Br)sc1Br 1924858318 MFYAOHDJYUQFSN-UHFFFAOYSA-N 471.971 5.559 50 10 JKGE COc1ccc([C@@H](Cl)c2c(Cl)sc(Br)c2Cl)cc1Br 1925591214 VTXWVQJFUGWEME-SECBINFHSA-N 465.421 6.917 50 10 JKGE C[C@H]1COc2ccc([C@@H](Br)c3ccc(I)c(Cl)c3)cc21 1925753025 FUJJRITZZQIXSH-XXFAHNHDSA-N 463.540 5.925 50 10 JKGE ClCc1cc2c(Br)c(I)c(Br)cc2nc1Cl 1938593219 BARHKAYEBFTDQV-UHFFFAOYSA-N 495.767 5.757 50 10 JKGE CCc1sc(Br)cc1[C@@H](Br)c1ccc(OCc2ccccc2)cc1 1943030613 NSLJCKMURZDVBN-FQEVSTJZSA-N 466.238 7.136 50 10 JKGE Cc1cc([C@@H](Cl)c2cc(Cl)c(Br)s2)ccc1I 2026133301 SNINWVBPNHCWBL-LLVKDONJSA-N 461.977 6.405 50 10 JKGE Brc1cc([C@H](Br)c2cscc2OCc2ccccc2)cc2c1OCC2 2038676189 DZJROAGFDFCMFP-IBGZPJMESA-N 480.221 6.509 50 10 JKGE C[C@H](Cl)c1nc2cc(I)ccc2n1[C@H]1CC[C@@H]1OCc1ccccc1 2038729443 OXNIMXWMWRVROH-AGRHKRQWSA-N 466.750 5.861 50 10 JKGE C[C@@H]1CCC[C@H]([C@@H](Br)c2c(Br)sc(Br)c2Cl)CC1 2039358737 DSVNMJDFMXCWRE-KHQFGBGNSA-N 479.503 7.579 50 10 JKGE CCO[C@@H]1CC[C@H]([C@H](Br)c2sc(Br)c(C)c2Br)C1 2054495400 GZRACVKKXNIZPD-NGZCFLSTSA-N 461.057 6.223 50 10 JKGE CCn1ncc(Br)c1[C@@H](Cl)c1cc(Br)c(C)cc1Br 2094271005 JYSXTMLHDIMYDO-LBPRGKRZSA-N 471.418 5.827 50 10 JKGE CN(Cc1ccc(Br)cc1Br)C[C@H](Br)C1CCCC1 2111364629 RKJDGBSONRIUSN-HNNXBMFYSA-N 454.044 5.597 50 10 JKGE Fc1cc(Br)ccc1CC[C@@H](Br)c1cccc(Br)c1 2113489517 PQILSAFXDJTJGP-CQSZACIVSA-N 450.971 6.420 50 10 JKGE FC(F)(F)[C@@H]1CN(Cc2ccccc2)CCN1c1ccc(CBr)c(Br)c1 2130159659 MVJKEWGLRRIKKK-SFHVURJKSA-N 492.177 5.597 50 10 JKGE Cc1cc(Br)c(C)c([C@H](Br)[C@@H]2C(C)(C)C2(F)F)c1Br 2136374976 QPRDYGDWGDTKHF-NWDGAFQWSA-N 460.982 6.556 50 10 JKGE CC[C@@]12CC[C@@]([C@H](Cl)c3c(Br)sc(Br)c3Br)(CO1)C2 2137171310 UGCFWNIJMAOVDJ-ICCXJUOJSA-N 493.486 6.665 50 10 JKGE Cc1c(Br)ccc([C@H](Br)[C@@H]2[C@H](C)O[C@@H](C)[C@@H]2C)c1Br 2138853993 RNSGQTPSXURTSC-ZEYGTKIFSA-N 455.028 6.016 50 10 JKGE C[C@H](CBr)[C@@H]1CCCCN1C(=O)c1cccc(Br)c1Br 2148748208 AJDWHEWNTKOTIZ-MFKMUULPSA-N 468.027 5.237 50 10 JKGE CC1(C)C[C@@H](n2c(CCl)nc3ccc(F)c(Br)c32)CN1Cc1ccccc1 2154534608 JXINREPIUPFKOI-OAHLLOKOSA-N 450.783 5.902 50 10 JKGE Cc1cc(C)c([C@H](Cl)c2cc(I)ccc2F)c(C)c1Br 2169667264 DWVHHNGLOBZPRA-MRXNPFEDSA-N 467.547 6.446 50 10 JKGE CN(C(=O)c1cc(Cl)ccc1I)C1(CBr)CCCCC1 2170167372 WEODYUHYFXSJNX-UHFFFAOYSA-N 470.576 5.114 50 10 JKGE C[C@@H]1CN(C(=O)c2cccc(Br)c2Br)CC[C@@H]1CCBr 2172468366 PXYLFAMJJQXRIN-MNOVXSKESA-N 468.027 5.095 50 10 JKGE ClCc1ccc(Br)c(Cl)c1N1CC[C@H]2OCCN(Cc3ccccc3)[C@H]2C1 2185516830 SSWAHZIMNXMHBQ-RBUKOAKNSA-N 470.238 5.321 50 10 JKGE Cc1ccc([C@@H](Br)c2c(C)c(Br)cc(C)c2Br)cc1F 2201075928 WWYDFKRPDADCFF-MRXNPFEDSA-N 464.998 6.760 50 10 JKGE Cc1c(Br)ccc([C@@H](Br)C2(C)CCCCCCC2)c1Br 2203706366 RTINVTMQBXBIRH-MRXNPFEDSA-N 467.083 7.707 50 10 JKGE FC(F)(F)[C@@H]1CC[C@H]1[C@H](Br)c1cc(Br)c(Br)s1 2212875978 BYBSSSHLCVKADE-LRMHIPNDSA-N 456.947 6.298 50 10 JKGE Cc1ccc([C@H](Cl)c2c(Cl)sc(Br)c2Cl)cc1I 2217864879 QSMOWRWLSOSFLF-VIFPVBQESA-N 496.422 7.059 50 10 JKGE Cc1sc(Br)cc1[C@@H](Br)Cc1ccc(Br)cc1Cl 2221698874 BGDRZNCRNOZIPS-NSHDSACASA-N 473.455 6.914 50 10 JKGE C[C@@H](CC(F)(F)F)[C@@H](Br)c1c(Br)cc(Cl)c(Cl)c1Cl 2224311525 MIJSDAYLADSFAM-RNHFCUEFSA-N 463.346 7.434 50 10 JKGE Fc1c(Br)cccc1[C@H](Br)Cc1ccc(Br)cc1Cl 2229152145 PCRCLXCLMWNROY-GFCCVEGCSA-N 471.389 6.683 50 10 JKGE Cc1cc(Br)c([C@@H](Br)c2ccc(F)cc2Br)c(C)c1Cl 2232530302 QMCUAQHARAOZMK-AWEZNQCLSA-N 485.416 7.105 50 10 JKGE CC(C)([C@H](Br)c1c(Br)cc(Cl)c(Cl)c1Cl)[C@H]1CCCO1 2232530742 UTYOLIMWUYVXKO-NOZJJQNGSA-N 465.440 7.051 50 10 JKGE Brc1cc(Br)cc(C[C@H](Br)c2ccoc2Br)c1 2252834566 KAMSDXRCXIDKQC-NSHDSACASA-N 487.811 6.246 50 10 JKGE Cc1cc(Br)c([C@H](Br)c2ccc(Br)cc2)c(C)c1F 2264472825 XOBSQZPZOMNPKF-CQSZACIVSA-N 450.971 6.452 50 10 JKGE COc1c(Br)cc(Cl)c(C)c1[C@H](Br)c1coc(Br)c1 2277882737 FKRYYJDCLXAIMM-GFCCVEGCSA-N 473.386 6.259 50 10 JKGE Clc1ccc([C@H](Cl)c2cc3sc(Br)cc3s2)cc1Br 2278097588 WXSCWHSEKHUQDE-ZDUSSCGKSA-N 457.039 7.469 50 10 JKGE COc1ccc([C@H](Cl)c2cc(Cl)cc(Br)c2)c(Br)c1Cl 2283552782 IVOVSTLMMMJHNY-CYBMUJFWSA-N 459.392 6.855 50 10 JKGE COc1c([C@H](Cl)c2ccc(I)cc2)cc(Br)c(C)c1C 2284583802 MMCPCBFJYMNSNY-OAHLLOKOSA-N 465.556 6.007 50 10 JKGE COc1ccc([C@H](Br)[C@@H]2CC[C@@H]3[C@H](C2)C3(F)F)cc1I 2284997680 HSNANEHZHXNUAD-GCDPNZCJSA-N 457.096 5.417 50 10 JKGE COc1ccc(-c2nn(Cc3ccccc3Cl)cc2C=C(C#N)C(=O)C(C)(C)C)cc1OC 2295394588 SUUNSFRSWKWKGN-UHFFFAOYSA-N 463.965 5.791 50 10 JKGE CCCSc1ccc(-c2nn(-c3ccccc3)cc2C=C(C#N)C(=O)NC[C@@H]2CCCO2)cc1 2296731310 MQNBFILSWWYZED-DEOSSOPVSA-N 472.614 5.244 50 10 JKGE Cn1ccnc1Sc1ccc(C=C(C#N)C(=O)Nc2ccccc2C(F)(F)F)cc1[N+](=O)[O-] 2297382546 KYYZDRMVWAKLOR-UHFFFAOYSA-N 473.436 5.044 50 10 JKGE Cc1cc([N+](=O)[O-])cc(C)c1OCC(=O)NN=Cc1ccc(-c2ccc(Cl)c(Cl)c2)o1 2297708110 FNVPKKMCKZQPOO-UHFFFAOYSA-N 462.289 5.308 50 10 JKGE Brc1ccc(OCc2ccccc2)c([C@@H](Br)C[C@H]2C[C@H]3C[C@H]3C2)c1 2299505436 WVNVHKQLYDPMHB-LJCCNALRSA-N 450.214 6.900 50 10 JKGE COc1cc(C=C(C#N)C(=O)Nc2cc(C)ccc2C)ccc1OCc1ccc(Br)cc1 2313511240 VUCCISGYVXJDGE-UHFFFAOYSA-N 491.385 6.199 50 10 JKGE Cc1ccc(C=CC(=O)NNC(=O)c2ccc(NC(=O)c3ccc(C(C)(C)C)cc3)cc2)cc1 2313617321 DNGIXLTYEKYBJQ-UHFFFAOYSA-N 455.558 5.019 50 10 JKGE N#CC(=Cc1cn(Cc2ccc(Br)cc2)c2ccccc12)C(=O)Nc1ccccc1Cl 2313631964 ZWBAMBKBGHDJPV-UHFFFAOYSA-N 490.788 6.651 50 10 JKGE Brc1cc(OCc2ccccc2)ccc1[C@@H](Br)C[C@@H]1CCCC12CC2 2314442710 GPGCKJHRCSEQTP-PXNSSMCTSA-N 464.241 7.435 50 10 JKGE COc1cc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)C=Cc4ccccc4)ccc32)ccc1OCC(C)C 2314634732 DDVSFXUFENDKDR-LJAQVGFWSA-N 496.563 5.567 50 10 JKGE FC1(F)C[C@@H]([C@@H](Br)c2sc(Cl)cc2I)C12CCC2 2316600129 AZSZBNQZPZAGEI-IMTBSYHQSA-N 467.544 6.268 50 10 JKGE Clc1ccc(C[C@H](Br)c2ccc(Cl)cc2I)cc1 2317769495 VSPKFTHUYGHACQ-ZDUSSCGKSA-N 455.948 6.277 50 10 JKGE COc1cc(C=C(C#N)c2nc3ccc(C)cc3[nH]2)cc([N+](=O)[O-])c1OCc1ccccc1C 2318417921 KGXXWNOADBJTBJ-UHFFFAOYSA-N 454.486 5.740 50 10 JKGE C[C@@H]1C[C@H]2C[C@]([C@H](Br)c3c(Br)sc(Br)c3Cl)(C2)O1 2319799793 ZRGCLBSRXZCIOJ-JCRVUAEBSA-N 479.459 6.320 50 10 JKGE C[C@H]1C[C@H]2C[C@]([C@H](Br)c3cc(Br)ccc3OCc3ccccc3)(C2)O1 2319802655 HGHMXGMKFKGGHI-XYAWUURFSA-N 466.213 6.422 50 10 JKGE COc1ccc(C=C(C#N)C(=O)Nc2nc(-c3ccc(Br)cc3)c(C)s2)cc1OC 2329703299 QHEXRGWQNQXOEH-UHFFFAOYSA-N 484.375 5.444 50 10 JKGE CCc1ccc(-c2csc(C(C#N)=C(O)[C@H](C(C)C)N3C(=O)c4ccccc4C3=O)n2)cc1 2331245465 OPANNSMDOGSEGI-QFIPXVFZSA-N 457.555 5.486 50 10 JKGE COc1ccc(C(C)(C)C)cc1-c1csc(C(C#N)=C(O)Cc2cccc3ccccc23)n1 2331349295 IMMARHALUKDXEA-UHFFFAOYSA-N 454.595 7.305 50 10 JKGE N#CC(=C(O)COc1ccc(Cl)cc1)c1nc(-c2ccc(Oc3ccccc3)cc2)cs1 2331359000 OJMZCYWCBHPWKQ-UHFFFAOYSA-N 460.942 7.127 50 10 JKGE COc1c(Cl)cc(Cl)cc1-c1csc(C(C#N)=C(O)c2ccc(-n3cccc3)cc2)n1 2331363977 AZICMXUSNVEDAT-UHFFFAOYSA-N 468.365 6.866 50 10 JKGE CCOc1ccc(-c2csc(C(C#N)=C(O)c3ccc(-c4ccccc4)cc3)n2)c(OCC)c1 2331387043 SGFDEKWZMNEDKG-UHFFFAOYSA-N 468.578 7.224 50 10 JKGE Cc1cc(C)c(-c2csc(C(C#N)=C(O)CCN3C(=O)c4cccc([N+](=O)[O-])c4C3=O)n2)c(C)c1 2331394407 DOKGDSNKRDKUIB-UHFFFAOYSA-N 488.525 5.123 50 10 JKGE CCCCCOc1c(Br)cc(C=C(C#N)c2nc(-c3ccccc3)cs2)cc1OC 2331440081 YCGPMELNMYJLLZ-UHFFFAOYSA-N 483.431 7.214 50 10 JKGE CCOc1ccc(OCC)c(-c2csc(C(C#N)=Cc3cc(OC)c(OC)c(OC)c3)n2)c1 2331470040 ARIUJZNWRFSFKO-UHFFFAOYSA-N 466.559 5.697 50 10 JKGE CC1(C)CC[C@@H]([C@@H](Br)c2c(Cl)cc(Br)c(F)c2Br)C1 2337083953 GBSXZWMRWRJZFA-RDDDGLTNSA-N 477.437 7.266 50 10 JKGE Cc1oc(Br)cc1[C@H](Cl)c1c(Cl)cc(Br)c(F)c1Br 2337084053 GYYYILHJSLFYOJ-NSHDSACASA-N 495.795 6.996 50 10 JKGE C[C@@H]1C[C@H]([C@@H](Br)c2c(Cl)cc(Br)c(F)c2Br)CCO1 2337085913 FOKGNUXFWYQYOG-OPVBNTEQSA-N 479.409 6.255 50 10 JKGE ClCc1cccc(Br)c1OCc1ccc(Cl)c(I)c1 2337270522 MIEKQJWEQFFCBP-UHFFFAOYSA-N 471.947 6.025 50 10 JKGE Cc1c(F)ccc([C@H](Br)c2ccc(Cl)cc2I)c1F 2340067100 YAXJEJJUXSIKRA-CYBMUJFWSA-N 457.483 6.016 50 10 JKGE CCC[C@@H]1CC[C@@H](Cl)[C@@H](Cc2ccc(I)c(Br)c2)C1 2349778373 KNYKHVFAFJBOSM-UXIGCNINSA-N 455.605 6.420 50 10 JKGE Clc1ccc(CBr)c(OCc2cc(I)ccc2Cl)c1 2352425713 JXFIIMHZSKATGQ-UHFFFAOYSA-N 471.947 6.072 50 10 JKGE Clc1ccc(C[C@@]2(CBr)CCCCC23CCC3)cc1I 2362378645 IXCOEQVUDNLIDV-QGZVFWFLSA-N 467.616 6.613 50 10 JKGE CCCc1sc(Br)cc1[C@@H](Br)c1ccsc1S(C)(=O)=O 2363269679 XYPWIYGKQMJRIP-LBPRGKRZSA-N 458.262 5.412 50 10 JKGE COc1c(Br)cc(C)c([C@@H](Br)C2CCCCCC2)c1Br 2365188968 QADYIQAUIYYSQN-AWEZNQCLSA-N 469.055 6.935 50 10 JKGE COc1c(Br)cc(C)c([C@H](Br)C2C(C)(C)C2(C)C)c1Br 2365229560 AZMAOOJEWXQRRT-LBPRGKRZSA-N 469.055 6.647 50 10 JKGE Clc1ccc(I)cc1C[C@H]1CCc2ccccc2[C@H]1Br 2380540900 CULHCMIXGNTCEF-PXAZEXFGSA-N 461.568 6.186 50 10 JKGE Cc1cc(Br)c(C(C)C)cc1[C@@H](Br)c1cccc(Br)c1 2380945804 ADVPARODFDWFBB-KRWDZBQOSA-N 461.035 7.128 50 10 JKGE Cc1cc(OCc2ccc(C(=O)N/N=C3\CCCC[C@@H]3C3CCCCC3)cc2)ccc1Cl 12603422 AGJITWOFSNTODI-WCWATDFMSA-N 453.026 7.084 50 10 JKGE CCCCOc1ccccc1[C@H]1C(C#N)=C(N)Oc2cc(OC(=O)c3ccccc3Cl)ccc21 38682674 KIAAHBCNJFSZSN-RUZDIDTESA-N 474.944 5.956 50 10 JKGE CCCOc1cccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)[C@@H](C)Oc4ccccc4F)ccc32)c1 38684443 IENOIMBFEJGRDX-QUGAMOGWSA-N 488.515 5.206 50 10 JKGE CCCCCOc1ccccc1[C@H]1C(C#N)=C(N)Oc2cc(OC(=O)Cc3ccccc3)ccc21 38686224 HYYAWXNTZPNNQL-MUUNZHRXSA-N 468.553 5.622 50 10 JKGE Cc1ccc(C(=O)N/N=C2\CCCc3oc(C(=O)Oc4ccc(Cl)c(C)c4)c(C)c32)cc1 40804829 MYTQYEIFADARPU-NHFJDJAPSA-N 450.922 5.548 50 10 JKGE Cc1cccc(NC(=O)c2oc3c(c2C)/C(=N/NC(=O)C(c2ccccc2)c2ccccc2)CCC3)c1 40815549 SUEIPNQOWVVTPU-INKHBPHZSA-N 491.591 6.137 50 10 JKGE CCOC(=O)/C(C#N)=C/c1ccc(OC(=O)CCCOc2ccc(C(C)(C)CC)cc2)c(OC)c1 54624837 OQEGTQSSOLZWMH-HEHNFIMWSA-N 479.573 5.617 50 10 JKGE Cc1ccccc1C(=O)Nc1ccc(C(=O)NNC(=O)[C@@H](C)c2ccc(CC(C)C)cc2)cc1 66199283 VXIFLYXIVRXMEG-FQEVSTJZSA-N 457.574 5.011 50 10 JKGE CC/C(=C(/c1ccccc1)c1ccc(OCCN(C)CCSS(C)(=O)=O)cc1)c1ccccc1 90372413 ZYKOLRQKLGUPAC-BYYHNAKLSA-N 495.710 6.059 50 10 JKGE in-vitro CC1CCC(NC(=O)[C@H](c2ccc(Cl)cc2)N(CCc2ccccc2)C(=O)CCl)CC1 97914740 DJILLCMTLLPVLS-RWRPHHHKSA-N 461.433 5.386 50 10 JKGE CCc1ccc(N2C(=O)[C@H](Cc3ccc(C)c(C)c3)S/C2=C(/C#N)C(=O)Nc2ccc(C)cc2)cc1 101245938 ZXDVLRRUMNUWHU-DBJYNHDPSA-N 495.648 6.239 50 10 JKGE N#C/C(=C\Nc1ccc(Cl)cc1C(F)(F)F)c1nc(-c2cc3ccccc3oc2=O)cs1 102455017 YZXROKXYLBQPMX-JLHYYAGUSA-N 473.863 6.565 50 10 JKGE N#C/C(=C/c1ccc(-c2ccc(Cl)cc2)o1)C(=O)Nc1ncc(Cc2cccc3ccccc23)s1 102957873 XSGHZOOPWXBCIW-STZFKDTASA-N 495.991 7.346 50 10 JKGE COc1cc(Br)c([C@H](Cl)c2ccc(Br)cc2Cl)cc1OC 109817169 MOMKVBJIVPKQTK-OAHLLOKOSA-N 454.973 6.210 50 10 JKGE BrCC(CBr)(CCC[C@H]1CCCO1)c1ccccc1Br 118878960 XZPJQKWTXHYCMQ-ZDUSSCGKSA-N 469.055 5.826 50 10 JKGE Clc1ccc([C@@H](Br)c2cc(Br)c(Br)s2)s1 128208552 VAXUKTWKMOTVBI-MRVPVSSYSA-N 451.430 6.472 50 10 JKGE C[C@](CBr)(NC(=O)c1cc(Br)c(Br)s1)c1ccccc1 134441706 HDLUGANAIAOJPD-CQSZACIVSA-N 482.035 5.313 50 10 JKGE CC[C@@H](C)N1C(=O)C(C#N)=C(C)/C(=C/c2cn(-c3ccccc3)nc2C23CC4CC(CC(C4)C2)C3)C1=O 214259444 NAUPXDAXYUPAOH-LLZNFXIMSA-N 494.639 5.731 50 10 JKGE CC(C)(C)[C@@H](CCBr)NC(=O)c1cc(Br)cc(Br)c1 231157190 ZQWABUCBUQWDLQ-GFCCVEGCSA-N 456.016 5.141 50 10 JKGE C[C@H]1CCC[C@](CBr)(NC(=O)c2cc(Br)cc(Br)c2)C1 235628272 VWDDGEYANRUMFP-BONVTDFDSA-N 468.027 5.285 50 10 JKGE Cc1cccc(C[C@H](Br)c2cc(I)ccc2Br)c1 235906637 HCQJHXQZUKBZRY-HNNXBMFYSA-N 479.981 6.041 50 10 JKGE Fc1cc(Br)c(Cl)cc1[C@@H](Br)c1cccc(Br)c1F 236226893 OMWSEFJWFUEXKD-LBPRGKRZSA-N 475.352 6.628 50 10 JKGE Cc1cc(C)nc(SCC(=O)NN=Cc2cc(C)n(-c3ccc(Cl)c(Cl)c3)c2C)n1 252593091 BJHBQCNEIIHJOJ-UHFFFAOYSA-N 462.406 5.050 50 10 JKGE BrCc1cc(Br)cc(Br)c1OC[C@H]1Cc2ccccc21 380504717 OHYMJFDUUQSZAP-GFCCVEGCSA-N 460.991 5.825 50 10 JKGE CC1(C)CN(c2ccc(CBr)cc2Br)CCN1Cc1ccccc1 382655066 IEYBLNZEILYCQL-UHFFFAOYSA-N 452.234 5.445 50 10 JKGE FC(F)c1ccc2c(c1)nc(CCl)n2CCCN(Cc1ccccc1)Cc1ccccc1 390500176 SYICCVUBOJFEAV-UHFFFAOYSA-N 453.964 6.805 50 10 JKGE COc1c(C)cc(Br)c(C)c1[C@@H](Br)c1cc(Br)oc1C 396600384 PLWPIGGPKSGBLK-AWEZNQCLSA-N 466.995 6.223 50 10 JKGE Cc1oc(Br)cc1[C@H](Br)c1cc(Cl)c(Cl)c(Cl)c1Cl 404920521 HZZNFPCNYZLTEP-VIFPVBQESA-N 467.799 7.448 50 10 JKGE N#CSc1ccc(NC(=O)Nc2cccc(C(=O)Nc3cccc(OC(F)(F)F)c3)c2)cc1 586732519 FGOULWDWTNPRDB-UHFFFAOYSA-N 472.448 6.055 50 10 JKGE COC1(COc2c(Br)cc(CBr)cc2Br)CCCCC1 692479993 ROGKFNIDTHPWIR-UHFFFAOYSA-N 471.027 5.835 50 10 JKGE CCOc1ccc(Br)cc1[C@@H](Br)c1ccsc1Br 698550068 GUDVNDMMBWYTGJ-LBPRGKRZSA-N 455.009 6.156 50 10 JKGE C[C@@H]1CC[C@@](C)([C@H](Br)c2cc(Br)c(Br)s2)C1(C)C 699122869 QRTBDDRUONWLHD-UGQGEIBHSA-N 459.085 7.172 50 10 JKGE Cc1cc(Br)c([C@@H](Cl)c2scc(Br)c2Br)s1 705408937 JYIKIPGZHOVHLV-MRVPVSSYSA-N 465.457 6.734 50 10 JKGE C[C@@H]1Cc2cc(Br)cc([C@H](Br)c3cccc(OCc4ccccc4)c3)c2O1 720046363 XBTJEOZJOLQQLQ-IVZQSRNASA-N 488.219 6.836 50 10 JKGE CC(C)CN(CC(C)C)c1ccc(C=NNC(=O)COc2ccc(C(C)(C)C)cc2)cc1[N+](=O)[O-] 1084014768 DKGPIHNXWSPTCZ-UHFFFAOYSA-N 482.625 5.540 50 10 JKGE Cc1cccc(C)c1NC(=O)C(=O)NN=Cc1ccc(OCc2c(Cl)cccc2Cl)cc1 1084448650 RTSKPECILAAHSL-UHFFFAOYSA-N 470.356 5.278 50 10 JKGE O=C(OCc1ccccc1)N1C[C@@H](CBr)[C@@H](c2ccc(C(F)(F)F)cc2F)C1 1614626448 IGAQFDULRVUIGP-PBHICJAKSA-N 460.265 5.592 50 10 JKGE CCCCc1ccc(NC(=O)c2oc3c(c2C)C(=NNC(=O)c2cccc(C)c2)CCC3)cc1 1772745328 YEALAGUKWPXNTK-UHFFFAOYSA-N 457.574 5.962 50 10 JKGE Cc1c(C(=O)NNc2ccccc2)oc2c1C(=NNC(=O)c1ccc(Cl)cc1Cl)CCC2 1772747246 FPUDLYIMVVRDJO-UHFFFAOYSA-N 471.344 5.122 50 10 JKGE CCc1cc(Br)ccc1OCC(=O)NN=Cc1ccccc1OCc1ccccc1 1772755587 NEXBNRDUBNCQKS-UHFFFAOYSA-N 467.363 5.120 50 10 JKGE Cc1ccc(NC(=O)[C@@H](C)Oc2cccnc2NC(=O)Nc2ccc(SC#N)cc2)cc1Cl 1858841581 LVLBQLVCXVTIDE-OAHLLOKOSA-N 481.965 5.667 50 10 JKGE N#CC1=C(N)Oc2c(c(C(F)(F)F)nn2-c2cccc(Cl)c2)[C@@H]1c1ccc(Cl)c(Cl)c1 1865686485 WTYWJSCQPPQSFR-OAHLLOKOSA-N 485.680 6.069 50 10 JKGE CCCc1nn(-c2ccccn2)c2c1[C@H](c1ccc(OCc3ccccc3)cc1)C(C#N)=C(N)O2 1865690480 SLXWQRAYKGKUKW-RUZDIDTESA-N 463.541 5.017 50 10 JKGE Cc1ccc(COc2ccc([C@H]3C(C#N)=C(N)Oc4c3c(C)nn4Cc3cccc(F)c3)cc2)cc1 1865693982 SPBGKWBHUMTQEP-MHZLTWQESA-N 480.543 5.485 50 10 JKGE COc1ccc(-c2nn(-c3ccc(Cl)cc3)c3c2[C@H](c2cccc(F)c2)C(C#N)=C(N)O3)cc1 1865711240 TYDIDXUULIVZIY-JOCHJYFZSA-N 472.907 5.559 50 10 JKGE COc1ccc(-c2nn(Cc3ccccc3Cl)c3c2[C@H](c2cccc(F)c2)C(C#N)=C(N)O3)cc1 1865711420 XZNNYOZSIUQRKS-HSZRJFAPSA-N 486.934 5.618 50 10 JKGE Cc1ccccc1[C@H]1C(C#N)=C(N)Oc2c1c(-c1ccccc1)nn2Cc1cccc(Cl)c1 1865713211 UEZQDZFPNGVUQJ-QHCPKHFHSA-N 452.945 5.778 50 10 JKGE Cc1cccc(C)c1OCCCC(=O)NNC(=O)c1ccc(-c2ccc(Cl)c(Cl)c2)nc1C 1865759141 KNRSGQXMVIHQOJ-UHFFFAOYSA-N 486.399 5.601 50 10 JKGE CCN(c1ccccc1)S(=O)(=O)c1ccccc1NC(=O)/C(C#N)=C/c1cccc(Cl)c1 1866129941 TYCVPXMYANIQAC-XDJHFCHBSA-N 465.962 5.101 50 10 JKGE O=C1/C(=C/c2ccc(Br)cc2)Oc2cc(OCc3cccc(CCl)c3)ccc21 1871436907 BMXCBEPEYDUVJM-JJFYIABZSA-N 455.735 6.383 50 10 JKGE COc1cc(/C=C(\C#N)n2cnc3ccccc32)ccc1OCc1ccc(Cl)cc1Cl 1872727324 QGVANGBXZOKRDI-VXLYETTFSA-N 450.325 6.452 50 10 JKGE COc1cccc(-c2csc(/C(C#N)=C(\O)[C@H](C)Oc3ccc(Cl)cc3Br)n2)c1 1872744393 PUKXKHUBAXVBBR-ZNASEZLDSA-N 491.794 6.495 50 10 JKGE CCCCc1ccc(-c2csc(/C(C#N)=C(O)/C(=C/c3ccc(OC)cc3)c3ccccc3)n2)cc1 1872744891 NJEPTXWQMHWQEM-IZDCIWNSSA-N 492.644 8.195 50 10 JKGE CC(C)c1ccc(O[C@H](C)/C(O)=C(\C#N)c2nc(-c3cccc(Br)c3)cs2)cc1 1872745770 CBSOSCSHUNVZSO-BQHWHHKNSA-N 469.404 6.956 50 10 JKGE COc1ccc(/C=C(C(/O)=C(\C#N)c2nc(-c3ccc(OC)c(C)c3)cs2)\c2ccccc2)cc1 1872746647 RBAPNFGIATYLNP-BEHWMOFKSA-N 480.589 7.169 50 10 JKGE COCCCN1C(=O)c2ccc(/C(O)=C(\C#N)c3nc(-c4ccc(C)cc4C)cs3)cc2C1=O 1872748728 LIPASEYBXLQCEM-LNVKXUELSA-N 473.554 5.009 50 10 JKGE C[C@@H](Oc1ccc(Cl)cc1Br)/C(O)=C(\C#N)c1nc(-c2cccs2)cs1 1872750254 DWCHTZVIGVDYDC-IQHDWMNZSA-N 467.797 6.548 50 10 JKGE COc1c(Cl)cc(Cl)cc1-c1csc(/C(C#N)=C(\O)COc2ccc(Cl)cc2)n1 1872754294 LMWPRMGSQWSPOL-SDXDJHTJSA-N 467.761 6.651 50 10 JKGE CC[C@@H](C)N1C(=O)c2ccc(/C(O)=C(\C#N)c3nc(-c4c(C)c(C)cc(C)c4C)cs3)cc2C1=O 1872754360 OZAHISXEDZSRBI-WGJYXZIMSA-N 485.609 6.388 50 10 JKGE COc1c(Cl)cc(Cl)cc1-c1csc(/C(C#N)=C(O)/C=C\c2ccc(Cl)cc2)n1 1872754478 VIZFXXNJQBVJOC-ZFMRORFHSA-N 463.773 7.285 50 10 JKGE N#C/C(=C\c1ccc(OCc2ccccc2Cl)cc1)c1nc(-c2ccc(Cl)cc2Cl)cs1 1872781589 KXFIJKBMHQDEEY-WOJGMQOQSA-N 497.834 8.413 50 10 JKGE CCOc1cc(/C=C(\C#N)c2nc(-c3ccc(Cl)cc3)cs2)cc(Br)c1O 1872789984 CLIWITFHPXDVQZ-VGOFMYFVSA-N 461.768 6.394 50 10 JKGE CCCCCCOc1c(Br)cc(/C=C(\C#N)c2nc(C(C)(C)C)cs2)cc1OC 1872790557 QQMRNHFTLDVDRN-GZTJUZNOSA-N 477.468 7.235 50 10 JKGE CCOc1c(Br)cc(/C=C(\C#N)c2nc(-c3ccc(OC)c(F)c3)cs2)cc1OC 1872792189 KFTXECJYUAUHJM-VIZOYTHASA-N 489.366 6.192 50 10 JKGE CCCCCOc1ccc(/C=C(\C#N)c2nc(-c3c(C)c(C)cc(C)c3C)cs2)cc1OCC 1872792832 SUSPNXJLFXFPMP-BUVRLJJBSA-N 474.670 8.076 50 10 JKGE COc1ccc(Br)cc1C(=O)N(Cc1ccccc1)C1(CBr)CCC1 1915741872 PWUWVOMMAMAKQV-UHFFFAOYSA-N 467.201 5.418 50 10 JKGE BrCC1(N(Cc2ccccc2)c2ncc(Br)cc2Br)CCC1 1915749075 DGYKEEOZUYYVCT-UHFFFAOYSA-N 489.049 5.931 50 10 JKGE CC(C)(CBr)N(Cc1ccccc1)C(=O)c1c(F)cc(Br)cc1F 1915757099 UEEPDVDGXNYMSL-UHFFFAOYSA-N 461.144 5.543 50 10 JKGE COc1cccc(C[C@H](Br)c2sc(Br)c(C)c2Br)c1 1922902889 UOYBOSMOOVIOFF-NSHDSACASA-N 469.036 6.269 50 10 JKGE Clc1cc(Br)cc([C@H](Cl)c2sc(Br)cc2Br)c1 1922940002 JXHALJJUGRGSAT-JTQLQIEISA-N 479.846 7.017 50 10 JKGE Clc1c(Br)sc(Br)c1[C@@H](Cl)[C@H]1CCCc2ccccc21 1923066124 MAZHFZMTPVOSSU-JQWIXIFHSA-N 455.042 7.327 50 10 JKGE C[C@@H]1CC[C@@H]([C@H](Br)c2c(Br)sc(Br)c2Cl)C1 1923070434 AKDFMOPIKXSTJM-JKMUOGBPSA-N 451.449 6.799 50 10 JKGE O=C(NN(Cc1ccccc1)Cc1ccccc1)c1cc(Br)c(Br)s1 1923720848 UCJBVPUFXPZHGU-UHFFFAOYSA-N 480.225 5.620 50 10 JKGE Cl[C@H](c1c(Br)sc(Br)c1Br)[C@@H]1CC12CCCC2 1924568653 JTVBJBJWEGJWAL-RCOVLWMOSA-N 463.460 6.896 50 10 JKGE FC1(F)CCCC[C@H]1[C@@H](Cl)c1c(Br)sc(Br)c1Br 1924590850 MFMYSKAJXKPIIP-YLWLKBPMSA-N 487.429 7.141 50 10 JKGE CC(C)(C)OC(=O)NC[C@@H]1CCCC2(CCC2)[C@@]12CC[C@@](C)(CI)O2 1924790812 LFEXCOPZXYBALN-ZAAXVRCTSA-N 463.400 5.224 50 10 JKGE Fc1ccc([C@@H](Cl)c2c(Cl)sc(Br)c2Cl)c(Br)c1 1925586787 CXQCCEHJHWJRHS-MRVPVSSYSA-N 453.385 7.047 50 10 JKGE CC[C@@H](C)[C@H](CI)NCc1c(Br)cccc1Br 2023044525 RONLVMIFLZLYFR-RNCFNFMXSA-N 475.006 5.151 50 10 JKGE CCc1cc(Br)c([C@@H](Cl)c2c(Br)cccc2Br)s1 2033091008 MFLXEWSZRKAZDO-LBPRGKRZSA-N 473.455 6.926 50 10 JKGE Brc1cc2c(c([C@@H](Br)c3cscc3OCc3ccccc3)c1)OCC2 2038685896 IBNXSHRAULRTNY-LJQANCHMSA-N 480.221 6.509 50 10 JKGE Cc1c(Br)sc([C@H](Br)[C@]23COC[C@H]2C3(F)F)c1Br 2043521475 RANFAUGPVZUMDY-OOSDCERQSA-N 466.967 5.299 50 10 JKGE CC(C)C[C@H]1CN(C(=O)OC(C)(C)C)CC[C@H]1NCCSSCCNC(=O)OC(C)(C)C 2061264976 WDGXMQCQTIVXCS-RBUKOAKNSA-N 491.764 5.154 50 10 JKGE CO[C@@H]1CCC[C@H]([C@H](Cl)c2c(Br)sc(Br)c2Br)C1 2062718893 TXWLAOVIZFRHRI-PJKMHFRUSA-N 481.475 6.521 50 10 JKGE Brc1cc([C@H](Br)[C@@H]2C[C@@H]2C2CCOCC2)c(Br)s1 2079392735 MEPVTLLRNAPMJT-KBVBSXBZSA-N 459.041 5.772 50 10 JKGE C[C@]1(CC(CBr)(CBr)c2cccc(Br)c2)CCCO1 2096625529 SWZPENHOWXSXAN-CQSZACIVSA-N 455.028 5.436 50 10 JKGE Cl[C@H](CCc1cccc(Br)c1Br)c1ccccc1Br 2113442712 UQDJMIJPTYQJGJ-CQSZACIVSA-N 467.426 6.887 50 10 JKGE CN(Cc1cc(Br)ccc1Br)C1CCC(CBr)CC1 2118519091 GGNMLMDPNBTDTA-UHFFFAOYSA-N 454.044 5.597 50 10 JKGE C[C@@H]1CCC[C@](CBr)(Cc2cc(Br)ccc2Br)CC1 2118528485 QKAAXLKRSKUMDF-MLGOLLRUSA-N 453.056 6.736 50 10 JKGE Clc1nc(Cl)n([C@H]2CN(Cc3ccccc3)C3(CCOCC3)C2)c1CBr 2118821282 UKCWMLWTSITVFA-OAHLLOKOSA-N 459.215 5.081 50 10 JKGE Cc1cc(Br)c(C)c([C@H](Br)[C@@H]2C[C@@H]3CCC[C@H]32)c1Br 2136369381 JJXORLDJOWEPSD-XSUJLISDSA-N 451.040 6.701 50 10 JKGE CCN[C@H](c1c(C)c(Br)cc(C)c1Br)C1CC(Br)C1 2136380811 CSBGAUYIUCSTOR-NWHVRFAMSA-N 454.044 5.653 50 10 JKGE Fc1cc(Br)cc(N2CC[C@@H]3[C@H](CCCN3Cc3ccccc3)C2)c1CCl 2170691125 HVPXJISXCYBCBJ-DYESRHJHSA-N 451.811 5.818 50 10 JKGE Brc1ccc(Br)c(C[C@@H]2CCCCCCCC[C@@H]2Br)c1 2175145450 UPFBJIWIBGFFJE-BBRMVZONSA-N 467.083 7.268 50 10 JKGE COc1cc(F)c([C@@H](Br)c2cc(C)cc(Br)c2)cc1Br 2202901352 AVYDRJOGFIPQGZ-HNNXBMFYSA-N 466.970 6.152 50 10 JKGE Cc1cc(Br)c([C@H](Br)c2csc(Br)c2)c(C)c1Cl 2217612875 IZANDCGVIYSHEQ-GFCCVEGCSA-N 473.455 7.028 50 10 JKGE Fc1cc(Br)c(Br)cc1[C@H](Br)c1ccc(Cl)cc1 2218598508 UEUACXAQPQTIIJ-CYBMUJFWSA-N 457.362 6.488 50 10 JKGE Cc1cc(C)c([C@H](Br)c2cc(Br)c(Br)cc2F)s1 2218851916 LGSYUEXNYKCSOI-GFCCVEGCSA-N 457.000 6.513 50 10 JKGE Cl[C@H](Cc1sc(Br)c(Br)c1Br)CC1CCCCC1 2222469941 DBWSNPAFQANCJC-VIFPVBQESA-N 479.503 7.156 50 10 JKGE Fc1cc(Br)c(Br)cc1[C@H](Br)[C@@H]1CCCCC12CC2 2225616429 FYECVBFWSZNOAL-HZMBPMFUSA-N 455.003 6.757 50 10 JKGE C[C@@H]1OC2(C)CC1([C@@H](Br)c1cc(Br)c(Br)cc1F)C2 2225617561 UQPIYTWUKPKGBF-OECDSWTESA-N 456.975 5.744 50 10 JKGE Cc1cc(Br)c([C@H](Br)C2CC(C3CC3)C2)c(C)c1Br 2227358790 AWJKSZVXIUMNFK-ZEPSKSRBSA-N 451.040 6.701 50 10 JKGE Cc1cc([C@H](Br)c2sc(Br)c(C)c2C)cc(C)c1Br 2227424753 NHHRFPAHCDUELQ-ZDUSSCGKSA-N 467.064 6.991 50 10 JKGE Cc1ccc([C@@H](Cl)c2c(Br)sc(Br)c2Cl)c(F)c1F 2231141439 ZQNOGOMAXSEGLM-SSDOTTSWSA-N 450.957 6.841 50 10 JKGE Cc1cc(Br)c([C@H](Br)c2cc(F)cc(Br)c2)c(C)c1Cl 2232529148 KTJZVCRWGWNNDW-CQSZACIVSA-N 485.416 7.105 50 10 JKGE Fc1cc(Br)c(F)c(Br)c1[C@H](Br)[C@H]1C[C@@H]1Br 2244999553 OKDRQNVFWVDJTK-MSIVUJLLSA-N 483.770 5.709 50 10 JKGE CCc1cc([C@H](Cl)c2csc(Br)c2Br)sc1Br 2248003095 ONGHEOCIGNLEQA-SECBINFHSA-N 479.484 6.988 50 10 JKGE CCc1sc(Br)cc1[C@@H](Cl)c1ccc(Cl)c(I)c1 2256337936 XUYGQBDUYJIKFA-ZDUSSCGKSA-N 476.004 6.659 50 10 JKGE C[C@H](Br)CN(CC(C)(C)C)c1ncc(I)cc1Br 2259779087 OUCJVLLUPXQLRN-VIFPVBQESA-N 490.021 5.085 50 10 JKGE Fc1ccc([C@H](Br)c2ccc(Cl)c(I)c2)c(F)c1F 2268284038 MNTCDQGRNVTQGI-LLVKDONJSA-N 461.446 5.846 50 10 JKGE COc1ccc([C@@H](Br)c2ccc(C)cc2Br)cc1I 2269541854 JIIIRXILNBRVOD-OAHLLOKOSA-N 495.980 5.855 50 10 JKGE Cc1cc(F)c(Br)cc1[C@H](Cl)c1cc(Br)ccc1Br 2270424109 ANANFGGBKWTZKE-AWEZNQCLSA-N 471.389 6.750 50 10 JKGE Fc1cc(Cl)c([C@@H](Cl)c2c(Cl)sc(Br)c2Cl)cc1Br 2270460984 LBYRHYMJUNUDDZ-MRVPVSSYSA-N 487.830 7.701 50 10 JKGE Clc1cccc(Br)c1[C@H](Cl)c1cc2sc(Br)cc2s1 2278105318 GEYXTSZNCLXFKK-CYBMUJFWSA-N 457.039 7.469 50 10 JKGE Fc1cccc(I)c1[C@@H](Br)c1ccc([C@H]2CCOC2)s1 2282888798 QASPIGRMLQTJHL-VFZGTOFNSA-N 467.141 5.480 50 10 JKGE COc1ccc(OC)c([C@H](Br)c2ccc(Cl)c(I)c2)c1 2283587074 PFHWRZCICJPIIF-OAHLLOKOSA-N 467.528 5.446 50 10 JKGE COc1ccc([C@@H](Br)c2cc3c(s2)CCSC3)cc1I 2285009031 LNLNTFPBBKKYIZ-OAHLLOKOSA-N 481.218 5.635 50 10 JKGE COc1ccc(-n2c(SCC(=O)NN=CC(C)=Cc3ccccc3)nnc2-c2ccc(C)cc2)cc1 2293729983 BPDUHOLKHYSONW-UHFFFAOYSA-N 497.624 5.549 50 10 JKGE CCOC(=O)c1c(NC=C(C#N)c2nc(-c3cccc([N+](=O)[O-])c3)cs2)sc(C(=O)OC)c1C 2296166873 BOUXSOLQZWKZKW-UHFFFAOYSA-N 498.542 5.028 50 10 JKGE CCOC(=O)c1c(NC=C(C#N)c2nc(-c3ccccc3)cs2)sc(C(=O)OC)c1C 2296789942 DBMYQFUELCDQEW-UHFFFAOYSA-N 453.545 5.120 50 10 JKGE CC1(C[C@@H](Br)c2ccc(OCc3ccccc3)cc2Br)CCCC1 2299489243 NJBAMKUCJSSDBO-HXUWFJFHSA-N 452.230 7.435 50 10 JKGE CC[C@@H](CC(C)C)[C@@H](Br)c1ccc(OCc2ccccc2)cc1Br 2299534213 BARJMEUKIVCZKQ-LAUBAEHRSA-N 454.246 7.536 50 10 JKGE CC1([C@@H](Br)c2ccc(OCc3ccccc3)cc2Br)CC2(CCC2)C1 2314441713 BBBSOWDBTLZGHA-FQEVSTJZSA-N 464.241 7.435 50 10 JKGE CC1(C)[C@H]2CO[C@@]1([C@H](Br)c1cc(Br)ccc1OCc1ccccc1)C2 2314443965 LURUDZAXMWGMSL-QFIXIFRTSA-N 466.213 6.279 50 10 JKGE Cc1ccccc1Oc1nc2c(C)cccn2c(=O)c1C=C(C#N)C(=O)Nc1ccccc1Cl 2314534073 XQSPVEAMBDBAPD-UHFFFAOYSA-N 470.916 5.303 50 10 JKGE CCOc1ccc(N2C(=O)[C@@H](Cc3ccccc3C)SC2=C(C#N)C(=O)Nc2ccc(C)cc2)cc1 2314591727 CJRWPPGPUFZQFR-AREMUKBSSA-N 497.620 5.767 50 10 JKGE COc1ccc(C(C)=NNC(=O)c2ccc(-c3ccc(Cl)c(Cl)c3)nc2C)c(OC)c1 2321281223 ONAYNVNDPOGKDF-UHFFFAOYSA-N 458.345 5.535 50 10 JKGE C[C@H]1CCCN(Cc2ccc(I)c(Br)c2)[C@@H]1CBr 2325206167 BUQPCJKMZOEOOD-IINYFYTJSA-N 487.017 5.049 50 10 JKGE N#CC(=CNC(c1ccccc1)c1ccccc1)C(=O)Nc1ccc(Cl)c(C(F)(F)F)c1 2325382684 YQAPICKLEOQBQN-UHFFFAOYSA-N 455.867 6.084 50 10 JKGE CC(C)[C@H](NC(=O)OC(C)(C)C)C(=O)NN=Cc1ccccc1OCc1ccc(Cl)c(Cl)c1 2328833276 AEAOCWOCHYZBSX-NRFANRHFSA-N 494.419 5.572 50 10 JKGE COc1cccc(C=C(C#N)c2nc3ccc(C)cc3[nH]2)c1OCc1c(Cl)cccc1Cl 2331018417 PJWZIKKCPGOSPV-UHFFFAOYSA-N 464.352 6.830 50 10 JKGE COc1ccc(C=C(C#N)S(=O)(=O)c2ccc(Cl)cc2)cc1OCc1ccc(Cl)cc1 2331030553 GWQCRSKKSHHRAD-UHFFFAOYSA-N 474.365 5.919 50 10 JKGE COc1cc(C)c(-c2csc(C(C#N)=C(O)c3ccc4nc(C)c(C)nc4c3)n2)cc1C(C)C 2331356183 ZBJRAWJVLAAHLK-UHFFFAOYSA-N 470.598 6.760 50 10 JKGE COc1ccc(-c2csc(C(C#N)=Cc3ccc(OC(=O)c4ccccc4)c(OC)c3)n2)cc1 2331431565 XVOVEFFJHKIEIU-UHFFFAOYSA-N 468.534 6.111 50 10 JKGE COc1ccc(-c2csc(C(C#N)=Cc3ccccc3OCc3ccccc3Cl)n2)c(OC)c1 2331473455 YKUFESZHVCUIFV-UHFFFAOYSA-N 488.996 7.124 50 10 JKGE Brc1cc(OCc2ccccc2)ccc1[C@@H](Br)[C@H]1C[C@H]2CCC[C@H](C2)C1 2336044495 OONZAMBAJDHYFR-YWNPBTLJSA-N 478.268 7.681 50 10 JKGE COc1cc(C)ccc1[C@@H](Br)c1cc(Br)ccc1OCc1ccccc1 2336074075 BSGXGHXKPLLMBN-JOCHJYFZSA-N 476.208 6.829 50 10 JKGE C[C@@]1(C(F)(F)F)C[C@]1(CBr)Cc1ccc(Cl)c(I)c1 2337223832 RLYLPKSSNNCMCT-NEPJUHHUSA-N 467.494 5.841 50 10 JKGE CCN[C@@H](c1c(C)cc(Br)c(F)c1Br)[C@H]1C[C@H](Br)C1 2339655072 CKCWDYZDEQVTPO-RFXMVYNHSA-N 458.007 5.483 50 10 JKGE CCC1(CC)[C@@H](Br)C[C@H]1OCc1cc(I)ccc1Cl 2352246161 HVTVDKFOKQNQLT-UONOGXRCSA-N 457.577 5.803 50 10 JKGE CC1(C)CCN(Cc2cc(I)ccc2Cl)C[C@H]1CBr 2352419654 CLBKVLCTVGLIHH-GFCCVEGCSA-N 456.593 5.188 50 10 JKGE Fc1cc(Cl)c(Br)c(Cl)c1[C@@H](Cl)c1cc(Br)ccc1Cl 2360491513 GWGWRBQMFPGHOA-LBPRGKRZSA-N 481.801 7.639 50 10 JKGE CC1(C)OCCO[C@H]1[C@H](Cl)c1c(Cl)cc(Br)c(F)c1Br 2362224097 PBANCWUOIAKUPR-PWSUYJOCSA-N 450.957 5.478 50 10 JKGE COc1c(C(C)C)cc(Br)cc1[C@@H](Br)c1cnsc1Br 2362500699 KFPZMDIAVAAOIL-GFCCVEGCSA-N 484.051 6.284 50 10 JKGE C[C@@H]1CCCC[C@]12[C@H](Br)C[C@H]2Oc1cc(Br)cc(Br)c1 2364104516 RYYRJCJYYLAPJH-HMTTWLPMSA-N 467.039 6.323 50 10 JKGE CCOc1ccc([C@@H](Cl)c2ccc(Cl)cc2I)c(Br)c1 2365598447 QKJKGUVPGCHJSV-OAHLLOKOSA-N 485.974 6.434 50 10 JKGE CC1(C)CCC[C@@](CBr)(Cc2ccc(Cl)cc2I)CC1 2366729909 PMLINVUJIVMNMS-KRWDZBQOSA-N 469.632 6.859 50 10 JKGE C[C@@H](COCc1cc(I)ccc1Br)c1nc(CCl)cs1 2367272193 WMEWDLDQVGYZNB-VIFPVBQESA-N 486.600 5.569 50 10 JKGE C[C@H]1CC2CC([C@H](Br)c3c(Cl)cc(Br)c(F)c3Br)(C2)O1 2368129331 URSNDVDLSQXJRE-VVPBMUBNSA-N 491.420 6.398 50 10 JKGE Cc1cc(Br)c(F)c(Br)c1[C@H](Br)[C@]12C[C@H](C[C@@H](C)O1)C2 2368526323 SMYWSPWHEGSBPO-LQNCWFGHSA-N 471.002 6.053 50 10 JKGE Fc1cc(Br)c(F)c(Br)c1[C@H](Br)[C@H]1C[C@@H](C(F)(F)F)C1 2380890256 UNWNUIPXTHZHAD-IKMPGZOFSA-N 486.898 6.514 50 10 JKGE N#C/C(C(=O)Nc1ccc(Cl)cc1)=C1\S[C@H](Cc2ccc(Cl)cc2)C(=O)N1c1ccccc1 13564087 VDIRWHHKAVXNED-FNBPXTNNSA-N 494.403 6.058 50 10 JKGE CCc1cccc(C)c1N/C(SCc1ccc(Cl)cc1)=C(/C#N)S(=O)(=O)c1ccccc1 20325606 NOVWUBLVOCHAAB-WJTDDFOZSA-N 483.058 6.723 50 10 JKGE CCCCCCN1C(=O)C(C#N)=C(C)/C(=C\c2ccc(OCCC(C)C)c(OCC)c2)C1=O 38604196 NAVHKEQMAAXDOH-CJLVFECKSA-N 452.595 5.683 50 10 JKGE COc1cc(/C=C2/C(=O)N(Cc3ccc(C)cc3)C(=O)C(C#N)=C2C)ccc1OCc1ccccc1 38608432 NHYVDDAUAAZFDT-MFKUBSTISA-N 478.548 5.375 50 10 JKGE CCCCOc1ccc(C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@@H]3c2cccc(Cl)c2)cc1 38651197 HIHOVVURXVAVCO-RUZDIDTESA-N 474.944 5.956 50 10 JKGE Cc1ccc(NC(=O)c2oc3c(c2C)/C(=N/NC(=O)C(F)(F)C(F)(F)C(F)(F)F)CCC3)cc1 40823283 HLEFQWPTAMVWIY-VVEOGCPPSA-N 493.379 5.138 50 10 JKGE CCOC(=O)c1c(-c2ccc(C)cc2C)csc1NC(=O)/C(C#N)=C/c1ccc(OCC)cc1 41013252 LAONYCUHTLDWKF-XSFVSMFZSA-N 474.582 6.153 50 10 JKGE C=CCc1cc(/C=N\NC(=O)CC[C@H](O)c2ccccc2)ccc1OCc1ccccc1Cl 58891713 QYSPEYQJOAUANF-CIGKTAFOSA-N 462.977 5.611 50 10 JKGE C=CCc1cc(/C=N/NC(=O)c2cc3ccccc3o2)cc(OCC)c1OCc1ccc(C)cc1 59303758 PCPSVHYVODVVJM-UXHLAJHPSA-N 468.553 6.211 50 10 JKGE COc1cccc(/C(CSc2nc3ccccc3[nH]2)=N\NC(=O)c2ccccc2Cl)c1 59460720 NILMRIGRJBOLAA-MEFGMAGPSA-N 450.951 5.151 50 10 JKGE CC(C)Cc1ccc([C@@H](C)C(=O)NNC(=O)COc2ccc3ccccc3c2Br)cc1 66199263 NUPGEUCOWFOILC-QGZVFWFLSA-N 483.406 5.131 50 10 JKGE Fc1cc2c(cc1I)nc(CCl)n2Cc1cccc(Br)c1 97408756 CDESHNJOLAVBBR-UHFFFAOYSA-N 479.518 5.330 50 10 JKGE CC1CCC(NC(=O)[C@H](c2ccc(Cl)cc2)N(CCc2ccc(Cl)cc2)C(=O)CCl)CC1 97914756 PIPRMZOACFFBNT-HRCMYCDISA-N 495.878 6.040 50 10 JKGE O=C(N/N=c1/oc2ccc3ccccc3c2cc1-c1nc2ccccc2s1)c1cccc([N+](=O)[O-])c1 101123793 NYSLSXIPVMHQSM-URGPHPNLSA-N 492.516 6.017 50 10 JKGE COc1ccc(N2C(=O)[C@@H](Cc3cccc(Cl)c3)S/C2=C(/C#N)C(=O)Nc2ccccc2)cc1 101244592 AAYIOCNBUFOYSC-YMGIJWJESA-N 489.984 5.414 50 10 JKGE COc1ccc(-c2csc(/C(C#N)=C\Nc3ccccc3OC(F)(F)[C@@H](F)Cl)n2)cc1OC 102415677 WFOKUJZDEADHCB-YXAHYSCSSA-N 495.910 6.310 50 10 JKGE Cc1ccc(C)c(NC(=O)/C(C#N)=C2/S[C@H](Cc3cccc(Cl)c3)C(=O)N2c2ccccc2)c1 102973472 DBMIJHYBVLQVQD-VECHRTTRSA-N 488.012 6.022 50 10 JKGE CC(C)(C)c1ccc([C@@H](Br)c2cc(Br)ccc2Br)cc1 109844707 NIEWHJWEMLXNFU-MRXNPFEDSA-N 461.035 6.993 50 10 JKGE CCc1nn(C)c(C[C@@H](CBr)c2ccc(Br)cc2)c1Br 118851578 FEPRIEJRSZLVPN-NSHDSACASA-N 465.027 5.229 50 10 JKGE Cc1cc(Br)c([C@H](Br)c2ccc(Br)c(Cl)c2)s1 148981782 JVYBRPKTTZNHBM-LLVKDONJSA-N 459.428 6.719 50 10 JKGE CCOc1cc(Cl)c([C@@H](Br)c2cc(C)c(Br)s2)cc1Cl 164581120 ZSSGVUYFFBEMGO-CYBMUJFWSA-N 459.030 7.009 50 10 JKGE COc1cc(Cl)c([C@H](Cl)c2cc(Br)c(Br)s2)cc1Cl 166964094 WBXKUGWNLDZTON-NSHDSACASA-N 465.421 6.917 50 10 JKGE O=C(Nc1ccc(I)cc1Cl)c1ccc(CBr)cc1 228130787 JAJLDBZFYRNOCZ-UHFFFAOYSA-N 450.501 5.092 50 10 JKGE COc1ccc([C@@H](Br)c2cc(Br)c(C)cc2Br)c(F)c1 228791192 WOIPGBBJFRMOGU-OAHLLOKOSA-N 466.970 6.152 50 10 JKGE COc1cc(F)c(Br)cc1[C@H](Cl)c1ccccc1I 234925240 OMJVRWQCBXPMCI-CQSZACIVSA-N 455.492 5.530 50 10 JKGE CCCCCc1ccc(OCC(=O)NN=Cc2ccccc2OCc2cccc(OC)c2)cc1 252622163 NQCYGZVDQBFRDI-UHFFFAOYSA-N 460.574 5.536 50 10 JKGE O=C(CSCc1ccc(Cl)cc1)NN=Cc1ccc(-c2ccc(Br)cc2)o1 252627622 RYFALXJIXIZBHT-UHFFFAOYSA-N 463.784 5.746 50 10 JKGE Cc1ccc(-n2c(SCC(=O)NN=C/C=C\c3ccco3)nnc2-c2ccc(C(C)(C)C)cc2)cc1 254746201 NYUQWSDSZHWILY-BBCYZXMKSA-N 499.640 6.041 50 10 JKGE CCCCOc1ccc(C=NNC(=O)c2cc(-c3ccc(OCc4ccc(C)cc4)cc3)n[nH]2)cc1 254812721 UTAHXMPBISBQKD-UHFFFAOYSA-N 482.584 5.907 50 10 JKGE O=C(COc1cccc2ccccc12)NN=Cc1cn(CC(=O)Nc2ccc(F)cc2)c2ccccc12 254846238 UMBBPUUDIJDABT-UHFFFAOYSA-N 494.526 5.101 50 10 JKGE O=C(NN=Cc1cccc([N+](=O)[O-])c1)c1cc(-c2ccccc2OCc2cccc3ccccc23)n[nH]1 254881104 DGYDFGSTONMHAB-UHFFFAOYSA-N 491.507 5.481 50 10 JKGE Fc1cccc(COc2c(Br)cc(Br)cc2CBr)c1Cl 380151086 XENMPPOXPWLMPB-UHFFFAOYSA-N 487.388 6.478 50 10 JKGE Cc1ccc([C@H](Cl)c2cc(I)cc3c2OCC3)cc1Br 380253245 OETQKOCVKBOCGR-HNNXBMFYSA-N 463.540 5.625 50 10 JKGE Cc1cc(Br)c([C@@H](Br)[C@@H]2CC3CCC2CC3)cc1Br 388943958 AEEWWDTUEPYSTK-YRGDBFGRSA-N 451.040 6.782 50 10 JKGE Cc1oc(Br)cc1[C@@H](Br)c1c(Br)cc(F)c(F)c1F 398731947 MUEMAIWNKSDZAK-SNVBAGLBSA-N 462.885 6.015 50 10 JKGE CN(C(=O)OC(C)(C)C)c1ccccc1[C@@H]1c2ccccc2CCN1CCO[Si](C)(C)C(C)(C)C 616678395 HJVIEMLJWPEXMZ-SANMLTNESA-N 496.768 7.027 50 10 JKGE Cc1cc(C=NNC(=O)[C@@H](C)Sc2ccc(Cl)cc2)c(C)n1-c1cc(Cl)ccc1Cl 725427968 JKSNXWZOJGGRJP-OAHLLOKOSA-N 480.848 6.685 50 10 JKGE CCCCCOc1ccccc1C(=O)NN=Cc1c(C)nn(Cc2ccccc2Cl)c1C 1084155473 PNYQQRZQESLXFM-UHFFFAOYSA-N 452.986 5.535 50 10 JKGE C=CCc1cc(/C=C(\C#N)C(=O)Nc2cccc(Cl)c2Cl)ccc1OCc1ccccc1 1084157658 WGTGUOAOXGZWFF-RCCKNPSSSA-N 463.364 6.847 50 10 JKGE COc1ccccc1NC(=O)/C(C#N)=C\c1ccc(-c2ccc(Br)c(C)c2C)o1 1084220991 YDUXKPUNXRUXIK-VBKFSLOCSA-N 451.320 5.880 50 10 JKGE Cc1cc(C=NNC(=O)CSCc2ccccc2Cl)c(C)n1-c1cccc(Cl)c1Cl 1084586717 VTCHXJKCLJYXAJ-UHFFFAOYSA-N 480.848 6.438 50 10 JKGE Cc1ccc(-n2c(S[C@@H](C)C(=O)C(C#N)=C3Nc4ccccc4N3)nc3ccccc3c2=O)cc1 1087641293 VVVMDALMKQQIQO-KRWDZBQOSA-N 479.565 5.017 50 10 JKGE Fc1ccc([C@@H]2CN(Cc3ccccc3)C[C@@H]2CI)cc1C(F)(F)F 1614626707 UWBHYAIXOISUOB-HOTGVXAUSA-N 463.256 5.495 50 10 JKGE FC(F)(F)c1ccc(Cl)c([C@@H]2CN(Cc3ccccc3)C[C@H]2CI)c1 1614630451 WGKKCKHPBTZJGD-RHSMWYFYSA-N 479.711 6.009 50 10 JKGE O=C1[C@@H](C[C@]2(F)C(Cl)=CC(c3ccccc3)=C[C@@H]2Cl)CCN1[C@H]1CCc2c[nH]nc2C1 1772508757 HVRBUPWVJYOLQC-UERYSRDZSA-N 460.380 5.041 50 10 JKGE Cc1c(C(=O)Nc2ccc(Oc3ccccc3)cc2)oc2c1C(=NNC(=O)c1ccccn1)CCC2 1772747299 NZFFDYPTRZPPAB-UHFFFAOYSA-N 480.524 5.498 50 10 JKGE CCn1c2ccccc2c2cc(NC(=O)c3oc4c(c3C)C(=NNC(=O)c3ccco3)CCC4)ccc21 1772747350 OPTRBXUOTFGGBQ-UHFFFAOYSA-N 494.551 6.032 50 10 JKGE CC(C)CCC[C@@H](C)[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@@]21C 1848665514 RJYDKYCTOASENH-ULOSBXALSA-N 491.200 8.957 50 10 JKGE CCCc1nn(Cc2c(F)cccc2Cl)c2c1[C@@H](c1cccc3ccccc13)C(C#N)=C(N)O2 1865682074 FGOSPYUFXPKYGP-DEOSSOPVSA-N 472.951 6.048 50 10 JKGE CCc1nn(-c2ccc(Cl)c(Cl)c2)c2c1[C@@H](c1cccc(Br)c1)C(C#N)=C(N)O2 1865684665 VGUCBIQAFDFMKV-SFHVURJKSA-N 490.188 5.722 50 10 JKGE N#CC1=C(N)Oc2c(c(C(F)(F)F)nn2Cc2ccccc2)[C@H]1c1ccc(Cl)cc1Cl 1865685504 JNSBTTANOYFPFB-INIZCTEOSA-N 465.262 5.475 50 10 JKGE CCCOc1ccc([C@H]2C(C#N)=C(N)Oc3c2c(CCC)nn3Cc2ccc(C)cc2)cc1OCC 1865688023 GSKXWEWXOZNBLW-SANMLTNESA-N 486.616 5.598 50 10 JKGE Cc1ccc(COc2ccc([C@@H]3C(C#N)=C(N)Oc4c3c(C)nn4Cc3ccccc3F)cc2)cc1 1865694509 YQBLCFINTMDEQU-HHHXNRCGSA-N 480.543 5.485 50 10 JKGE CCCn1nc(C(F)(F)F)c2c1OC(N)=C(C#N)[C@@H]2c1ccc(OCc2ccc(Cl)cc2)cc1 1865696343 ZIXJRVAQSYNCSK-IBGZPJMESA-N 488.897 5.762 50 10 JKGE CCCn1nc(-c2ccccc2)c2c1OC(N)=C(C#N)[C@@H]2c1ccccc1OCc1ccc(Cl)cc1 1865701027 KBHUWBBHXJRGRH-VWLOTQADSA-N 496.998 6.411 50 10 JKGE CCCOc1ccccc1[C@H]1C(C#N)=C(N)Oc2c1c(C(F)(F)F)nn2-c1ccccc1Cl 1865703637 XMSWZUSEQNNSSP-SFHVURJKSA-N 474.870 5.551 50 10 JKGE CC(C)Oc1ccccc1[C@H]1C(C#N)=C(N)Oc2c1c(C(F)(F)F)nn2Cc1cccc(F)c1 1865705462 WJISKJIQOAFCTK-IBGZPJMESA-N 472.442 5.095 50 10 JKGE CCCc1nn(CCC)c2c1[C@@H](c1cccc(OC)c1OCc1cccc(C)c1)C(C#N)=C(N)O2 1865705600 ZWJOGMDKHNMWGT-DEOSSOPVSA-N 472.589 5.360 50 10 JKGE CCc1ccc([C@H]2CN(c3cc(Nc4ccc(SC#N)cc4)nc(CCOC)n3)CCO2)cc1 1868253469 IJLKHIMSTKFPQF-HSZRJFAPSA-N 475.618 5.123 50 10 JKGE CC(C)[C@@H](/C(O)=C(\C#N)c1nc(-c2c[nH]c3ccccc23)cs1)N1C(=O)c2ccccc2C1=O 1872753133 ILMOJWHOKGAINE-WBVCGYLZSA-N 468.538 5.405 50 10 JKGE COc1ccc(C/C(O)=C(\C#N)c2nc(-c3cc(Cl)c(OC)c(Cl)c3)cs2)cc1OC 1872755745 DAUJMWKTWUDVBL-JXAWBTAJSA-N 477.369 6.178 50 10 JKGE COc1cc(Cl)c(C)cc1-c1csc(/C(C#N)=C(\O)[C@@H](C)Oc2ccc(C(C)C)cc2)n1 1872756967 KMLOWYBBXDLPSF-UVPKWBSNSA-N 469.006 7.164 50 10 JKGE CCOc1cc(/C=C(\C#N)c2nc(-c3c(C)c(C)cc(C)c3C)cs2)cc(Br)c1O 1872792861 VHFUMEAMIXIWSI-QGMBQPNBSA-N 483.431 6.975 50 10 JKGE N#C/C(=C(/O)CCCOc1ccc2ccccc2c1)c1nc(-c2ccc(-c3ccccc3)cc2)cs1 1873940687 CPHWLUIRVOBECI-HYOGKJQXSA-N 488.612 8.282 50 10 JKGE COc1ccc([C@H](Br)c2c(C)nsc2Br)c(Br)c1 1912971824 CPMXFBRWFJRMLX-NSHDSACASA-N 455.997 5.469 50 10 JKGE O=C(c1cc(Cl)ccc1I)N(CCCBr)Cc1ccccc1 1914641179 YLTMJZOKEFOANY-UHFFFAOYSA-N 492.582 5.372 50 10 JKGE COc1ccc([C@H](Br)c2sc(Br)c(C)c2Br)cc1OC 1922881264 BYPYDDDEHZMALU-LBPRGKRZSA-N 485.035 6.083 50 10 JKGE COc1ccc([C@@H](Br)[C@H](C)c2ccncc2Br)cc1Br 1924039159 HZPQWGXJOAMQME-PSLIRLAXSA-N 463.995 5.855 50 10 JKGE FC(F)(CC1CC1)[C@@H](Cl)c1c(Br)sc(Br)c1Br 1924569906 BQHSITANJXKBEK-ZETCQYMHSA-N 473.402 6.751 50 10 JKGE Cl[C@H](c1c(Br)sc(Br)c1Br)[C@@H]1C[C@H]2O[C@H]1[C@@H]1C[C@H]21 1924612744 DHEZAVMOAVTJSO-VOBVKBQSSA-N 477.443 5.739 50 10 JKGE CCOC1CC([C@@H](Cl)c2c(Br)sc(Br)c2Br)C1 1924616587 QPLOGNXBMLQCHJ-GVNUUABZSA-N 467.448 6.131 50 10 JKGE Cc1oc(Br)cc1[C@@H](Br)c1ccc(Br)cc1Br 2024279293 LYBXZNJFXXQVCO-LBPRGKRZSA-N 487.811 6.360 50 10 JKGE Brc1scc([C@@H](Br)c2cc3sccc3s2)c1Br 2025270940 PPSCECHINBQJPZ-SECBINFHSA-N 473.074 7.034 50 10 JKGE Cc1sc(Br)c([C@@H](Cl)c2c(Cl)sc(Br)c2Cl)c1C 2039507557 UCVGEBXXJHAPIU-SSDOTTSWSA-N 469.478 7.586 50 10 JKGE Clc1c(Br)sc(Br)c1[C@H](Br)C1C[C@@H]2CCC[C@H]2C1 2063520456 OBRBSUSBAMXDEW-MHYGZLNHSA-N 477.487 7.189 50 10 JKGE CC1(C)OCCC[C@@H]1[C@H](Cl)c1c(Br)sc(Br)c1Br 2066883022 HRJRHBHSKYVVER-MUWHJKNJSA-N 481.475 6.521 50 10 JKGE Cc1ccc([C@@H](Br)c2ccc(Br)cc2I)cc1C 2086149487 OKQIOPILHVUKOQ-OAHLLOKOSA-N 479.981 6.155 50 10 JKGE C[C@H]1[C@@H](Br)C[C@H]2CC[C@H]1N2C(=O)c1csc(Br)c1Br 2093947889 KILOJHWPSJKNJA-WPYKOPORSA-N 472.040 5.050 50 10 JKGE FC1(F)C[C@]12CC[C@H]([C@H](Br)c1c(Br)sc(Br)c1Cl)C2 2099915930 PKTHQFRVTGNXSR-DGVCYOPGSA-N 499.440 7.188 50 10 JKGE FC1(F)CCC2(CC1)C[C@@H]2[C@@H](Br)c1cc(Br)c(Br)s1 2107093376 VEOUHIPONZBCSA-GMSGAONNSA-N 479.022 6.925 50 10 JKGE COc1ccc([C@@H](Br)c2c(Cl)cccc2Br)cc1Br 2113159250 PYOFRTNAJDUYPI-CQSZACIVSA-N 469.398 6.358 50 10 JKGE Fc1ccc(Br)cc1CC[C@H](Br)c1ccc(Br)cc1 2113491782 TVABBAPOMKKWQR-AWEZNQCLSA-N 450.971 6.420 50 10 JKGE ClCc1c(Br)cccc1OCc1cc(Br)ccc1Br 2118519277 IKNCWLUSGJEOIK-UHFFFAOYSA-N 469.398 6.292 50 10 JKGE Cc1cc(Br)cc([C@H](Br)c2cc(Br)c(Cl)cc2C)c1 2137640796 AEQGGMVKHKVZAF-HNNXBMFYSA-N 467.426 6.966 50 10 JKGE Cc1ccc(Br)cc1[C@H](Br)c1cc(Br)c(Cl)cc1C 2137642708 LNAJMXIHYCUQCL-HNNXBMFYSA-N 467.426 6.966 50 10 JKGE C[C@@H]1CCCN(Cc2ccc(I)c(Cl)c2)[C@@H]1CCBr 2142950573 SFOYKEPLCBBNHF-IAQYHMDHSA-N 456.593 5.330 50 10 JKGE Clc1ccc(C[C@@H](CBr)Cc2cccc(Br)c2Br)cc1 2148754576 VLMZJXCGRIARNC-GFCCVEGCSA-N 481.453 6.661 50 10 JKGE CCOc1ccc([C@@H](Br)c2c(Br)cnn2CC)c(Br)c1 2150669213 UDJFYZIBYYLYRC-CYBMUJFWSA-N 466.999 5.311 50 10 JKGE CC1(C)C[C@@H](n2c(CCl)nc3cc(I)ccc32)CCN1Cc1ccccc1 2155051716 RHLGEPGCAXLUCY-SFHVURJKSA-N 493.820 5.995 50 10 JKGE Brc1ccc(Br)c([C@H](Br)C2CC3(C2)CC2(CCC2)C3)c1 2157154649 NILYUHMOSGTFFK-OAHLLOKOSA-N 463.051 7.008 50 10 JKGE CCc1nc([C@@H](Br)c2c(C)cc(C)c(Br)c2C)c(Br)s1 2169488881 WOXATIFGCYVMQO-ZDUSSCGKSA-N 482.079 6.640 50 10 JKGE CN(C(=O)c1cc(I)ccc1Br)C1(CCl)CCCCC1 2170169407 RQFKFXUXMSMBKC-UHFFFAOYSA-N 470.576 5.067 50 10 JKGE ClCc1nc2ccc(Br)cc2n1-c1ccc(Br)c(Br)c1 2185908397 WODRPNUONMRTJB-UHFFFAOYSA-N 479.397 6.052 50 10 JKGE CC1(C[S@](C)(=O)=NCC2(CBr)CCCCCC2)CN(C(=O)OC(C)(C)C)C1 2192790358 YISHKXMPNWBKHP-MHZLTWQESA-N 465.498 5.077 50 10 JKGE Cc1cc(Br)c(C)c([C@@H](Br)[C@@H]2CCCC3(CC3)C2)c1Br 2201061425 FBBJWNQXLUBYJC-WBMJQRKESA-N 465.067 7.235 50 10 JKGE Cc1cc(Br)c(C)c([C@@H](Br)c2cc3sccc3s2)c1Br 2201068053 CPJCKWMYKWYVLH-HNNXBMFYSA-N 495.099 7.589 50 10 JKGE Cc1cc(Br)c(F)c([C@H](Br)c2cc(Br)c(Cl)cc2C)c1 2202364275 KBPNTIVFUFXOIA-CQSZACIVSA-N 485.416 7.105 50 10 JKGE Fc1ccc(COc2cc(Br)cc(F)c2CBr)c(Br)c1 2206261403 UMTROSGHLMAZLJ-UHFFFAOYSA-N 470.933 5.964 50 10 JKGE Cc1cc([C@H](Cl)c2cc(Cl)c(Cl)c(Cl)c2Cl)ccc1I 2207102269 JOHCQVJCYMDNQW-NSHDSACASA-N 480.387 7.541 50 10 JKGE CC[C@H]1C[C@H](c2sc(Br)c(Br)c2Br)C[C@H](Cl)C1 2216422687 WZXAAJAUXZCGTH-BIIVOSGPSA-N 465.476 6.937 50 10 JKGE Clc1ccccc1[C@@H](Cl)Cc1sc(Br)c(Br)c1Br 2222471048 IPWUYWYTZUAIIV-QMMMGPOBSA-N 493.873 7.212 50 10 JKGE C[C@H](C1CCCCC1)[C@H](Br)c1cc(Br)c(Br)cc1F 2225620138 QZMRSPYNKUYFSV-PSLIRLAXSA-N 457.019 7.003 50 10 JKGE Cc1cc(Br)c([C@@H](Br)c2csc3c(Br)cccc23)s1 2229326175 SKKWZMCTPHVYJP-LBPRGKRZSA-N 481.072 7.281 50 10 JKGE Cc1ccc([C@H](Br)Cc2nc3ccccc3s2)cc1I 2232826063 JUNYSILSXKGFSZ-GFCCVEGCSA-N 458.162 5.888 50 10 JKGE Fc1cc(Br)c(Br)cc1[C@@H](Br)[C@H]1CCn2ccnc2C1 2233981515 JMHSTWVEKUFKIK-RTHLEPHNSA-N 466.974 5.246 50 10 JKGE COc1c([C@@H](Br)c2cc(Br)ccc2Br)csc1C 2259130259 FSRSAGZXSXAIPP-LBPRGKRZSA-N 455.009 6.074 50 10 JKGE Fc1cc([C@H](Cl)c2c(Cl)sc(Br)c2Cl)c(Cl)cc1Br 2267762527 HJQMXLGNBAPGIY-QMMMGPOBSA-N 487.830 7.701 50 10 JKGE COc1ccc([C@H](Br)c2cc(F)ccc2Br)cc1I 2269554919 HHRAGHKTVGZTAX-AWEZNQCLSA-N 499.943 5.686 50 10 JKGE C=CC[C@]1(CBr)CCCN1Cc1ccc(I)c(Cl)c1 2272106930 WRSBLGUMPVHJQI-OAHLLOKOSA-N 454.577 5.250 50 10 JKGE FC(F)(F)C1CC([C@@H](Br)Cc2cc(Br)cc(Br)c2)C1 2277952633 HNLOFXHSJJCLMJ-KWPJZBAWSA-N 464.945 6.106 50 10 JKGE Fc1cc(Br)ccc1CO[C@H](CI)c1ccccc1F 2281374003 UHSPTIHKFSNYGI-OAHLLOKOSA-N 453.064 5.420 50 10 JKGE Fc1cc(Br)c(F)c(Br)c1[C@H](Br)C[C@@H]1CCC[C@@H]2C[C@@H]12 2288360675 YTPLQZUJEATPOX-UTINFBMNSA-N 472.993 6.752 50 10 JKGE Fc1cc(Br)c(F)c(Br)c1[C@H](Br)[C@@H]1CC[C@H]2C[C@H]2CC1 2288374001 OKHBSAANHQNLGI-LOKDSWTASA-N 472.993 6.752 50 10 JKGE Cc1cc(C=C(C#N)C(=O)Nc2cccc(Br)c2)c(C)n1-c1ccc(Cl)c(C(=O)O)c1 2294172030 VHYSDWPYIMZRIV-UHFFFAOYSA-N 498.764 5.754 50 10 JKGE CC(C=NNC(=O)c1cccc(NC(=O)c2ccc(Cl)cc2)c1)=Cc1ccc(C(C)C)cc1 2297297869 JZKRJWWGWHVFTA-UHFFFAOYSA-N 459.977 6.535 50 10 JKGE CCN(CC)c1ccc(C=C(NC(=O)c2ccccc2Cl)C(=O)NN=Cc2ccc(F)cc2)cc1 2297321153 LDXCSDQAICZLRU-UHFFFAOYSA-N 492.982 5.247 50 10 JKGE CCc1cccc(CC)c1NC(SCc1cccc(C)c1)=C(C#N)S(=O)(=O)c1ccccc1 2297350122 XUFDGMPYHHQMQO-UHFFFAOYSA-N 476.667 6.632 50 10 JKGE CC1CC(CC[C@@H](Br)c2ccc(OCc3ccccc3)cc2Br)C1 2299497336 QTNCBRMLTFCUAK-MKJPBZQASA-N 452.230 7.290 50 10 JKGE C[C@H](C1CCCC1)[C@@H](Br)c1ccc(OCc2ccccc2)cc1Br 2299507162 DTVAXZYQENNADB-QVKFZJNVSA-N 452.230 7.290 50 10 JKGE C[C@@H]1OC2([C@H](Br)c3ccc(OCc4ccccc4)cc3Br)CC1C2 2299533613 UYRDKOSTIXCGKU-JKRPJCKLSA-N 452.186 6.032 50 10 JKGE Cn1cnc(Br)c1[C@H](Cl)c1ccc(OCc2ccccc2)cc1Br 2300268251 VEZOHZURAIHPEG-MRXNPFEDSA-N 470.592 5.852 50 10 JKGE Fc1ccc([C@H](Br)c2ccc(OCc3ccccc3)cc2Br)c(Cl)c1 2314449606 RFOUCKLHQZKNOR-HXUWFJFHSA-N 484.590 7.305 50 10 JKGE Brc1cc(OCc2ccccc2)ccc1[C@@H](Br)C1CC(CC2CC2)C1 2314499811 HFNLEBHFHXDLHN-IRZJEQJZSA-N 464.241 7.290 50 10 JKGE N#CC(=Cc1ccc(-c2cc(Cl)cc(Cl)c2)o1)c1nc(-c2cccc([N+](=O)[O-])c2)cs1 2314571049 AYHBDAIJWJGNEC-UHFFFAOYSA-N 468.321 7.349 50 10 JKGE CCCCOc1ccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)C=Cc4ccc(C)cc4)ccc32)cc1 2314634187 XWBXMUOJOQBOTL-GDLZYMKVSA-N 480.564 6.011 50 10 JKGE COc1cc(C=C(C#N)C(=O)NCc2ccccc2)ccc1OC(=O)c1c(C)cc(C)cc1C 2314737271 VGIBHEYEXFZSSA-UHFFFAOYSA-N 454.526 5.063 50 10 JKGE C[C@]1([C@H](Br)c2c(Cl)cc(Br)c(F)c2Br)CC1(F)F 2315441527 IIUYLKIGAXWOQG-NXEZZACHSA-N 471.336 6.485 50 10 JKGE Clc1cc(Cl)cc(C[C@@H](Br)c2sc(Cl)cc2I)c1 2316771545 SMZFPXRQRJNYHW-SECBINFHSA-N 496.422 6.992 50 10 JKGE Cc1scc([C@H](Br)c2cc(F)c(Br)cc2F)c1Br 2320481675 VBQPTNREQUCCPH-GFCCVEGCSA-N 460.963 6.344 50 10 JKGE N#CC(=Cc1cccc(OC(=O)CCCOc2ccc(Cl)cc2Cl)c1)c1ccc(Cl)cc1 2320511023 JZUSDKXMRRQLCK-UHFFFAOYSA-N 486.782 7.476 50 10 JKGE Cc1cc(C)c(C)c(-c2csc(C(C#N)=C(O)CN3C(=O)COc4ccc(Cl)cc43)n2)c1C 2331370123 ALTJVINAICJLHR-UHFFFAOYSA-N 479.989 5.915 50 10 JKGE Cc1ccc(-c2csc(C(C#N)=C(O)c3ccc4c(c3)C(=O)N(Cc3ccccc3)C4=O)n2)cc1C 2331382683 UWLWAXUZUVIEEB-UHFFFAOYSA-N 491.572 6.173 50 10 JKGE COc1ccc(OC)c(C=CC(O)=C(C#N)c2nc(-c3ccc(OC)cc3OC)cs2)c1 2331385640 UAIYRHZIZMSMTA-UHFFFAOYSA-N 450.516 5.351 50 10 JKGE COc1cc(Cl)c(C)cc1-c1csc(C(C#N)=C(O)COc2cc(C)c(Cl)c(C)c2)n1 2331390591 QPVRDYIMPUVKEH-UHFFFAOYSA-N 475.397 6.922 50 10 JKGE COc1c(C)cc(Cl)cc1-c1csc(C(C#N)=C(O)[C@@H]2CC(=O)N([C@H](C)c3ccccc3)C2)n1 2331391908 UDSHSPCUBCCKID-SJLPKXTDSA-N 494.016 6.183 50 10 JKGE COc1ccc(OC)c(CC(O)=C(C#N)c2nc(-c3cc(Cl)cc(C)c3OC)cs2)c1 2331392096 PSMROMHEOUZNHV-UHFFFAOYSA-N 456.951 5.833 50 10 JKGE COc1c(Cl)cc(-c2csc(C(C#N)=C(O)c3ccc4nc(C)c(C)nc4c3)n2)cc1Cl 2331397673 VGGQBEWIZUKQPC-UHFFFAOYSA-N 483.380 6.635 50 10 JKGE COc1ccc(-c2csc(C(C#N)=C(O)c3ccc(Cl)c(Cl)c3)n2)c2ccccc12 2331405010 FIUDYJGTUHWASZ-UHFFFAOYSA-N 453.350 7.229 50 10 JKGE COc1ccc(-c2csc(C(C#N)=Cc3c(OCc4ccccc4)ccc4ccccc34)n2)cc1 2331431548 WHXHIDMUQJLRTM-UHFFFAOYSA-N 474.585 7.615 50 10 JKGE COc1cc(C=C(C#N)c2nc(-c3ccc(F)c(F)c3)cs2)cc(Br)c1OC(C)C 2331463922 DTWDNMUCYAJOEK-UHFFFAOYSA-N 491.357 6.711 50 10 JKGE CCCCOc1ccc(C=C(C#N)c2nc(-c3cc(Cl)c(OC)cc3OC)cs2)cc1OCC 2331471742 COTMLGDCAZXCIV-UHFFFAOYSA-N 499.032 7.122 50 10 JKGE Cc1cc(Br)c(C)c([C@@H](Br)[C@@H]2[C@@H]3CCCO[C@@H]32)c1Br 2332925569 LRGGISSSCNVKIF-GGZSPTBLSA-N 453.012 5.689 50 10 JKGE Cn1ncc(Cl)c1[C@H](Br)c1c(F)cc(Cl)c(Br)c1Cl 2335374771 VBZGSOGQVBIOSL-SECBINFHSA-N 451.348 5.766 50 10 JKGE FC(F)(F)[C@@H]1CCO[C@H]1[C@H](Br)c1ccc(OCc2ccccc2)cc1Br 2336043694 HLEJFXFNVSBQCO-KBAYOESNSA-N 494.145 6.432 50 10 JKGE C[C@H](c1ccncc1Br)[C@H](Cl)c1c(Br)c(Br)nn1C 2338707283 BCEIKAGHUQPGPF-LDWIPMOCSA-N 472.406 5.186 50 10 JKGE FC(F)Oc1ccccc1[C@@H](Br)c1sc(Cl)cc1I 2338773093 KDYRNYALKCLEQF-SNVBAGLBSA-N 479.511 6.092 50 10 JKGE Cc1cc(F)cc(C)c1[C@@H](Br)c1c(Br)c(Br)nn1C 2338862332 XDDXWEPISSAQTI-SNVBAGLBSA-N 454.963 5.185 50 10 JKGE Cc1cc(Br)c(F)c(Br)c1[C@@H](Br)C[C@@H]1C[C@H]2C[C@H]2C1 2339653982 OHGMRRMZWVTXIY-VLEAKVRGSA-N 455.003 6.531 50 10 JKGE C[C@@H](c1ccncc1F)[C@H](Br)c1ccc(Br)cc1I 2344707819 AVMRKEMAWVOEMX-RTHLEPHNSA-N 498.959 5.828 50 10 JKGE Cl[C@@H](CNCc1ccc(I)c(Br)c1)c1ccccc1 2349830924 RZFMDWSQIBTQDY-AWEZNQCLSA-N 450.545 5.123 50 10 JKGE Clc1ccc(I)cc1CC[C@@H](Br)CC1CCCCC1 2352427949 NSWYDUVFFBECPG-CQSZACIVSA-N 455.605 6.611 50 10 JKGE Cc1cc(Br)c([C@@H](Br)[C@@H]2C[C@@H]3O[C@H]2[C@H]2C[C@@H]32)c(C)c1Br 2358672680 AYRGRBZMZIZLOH-YADKTJFCSA-N 465.023 5.688 50 10 JKGE CC(C)(C)CC(C)(C)c1ccc(OCC(=O)N/N=C/c2cc(Br)ccc2O)cc1 3169771 LXWQSDMNCRKLTI-DHRITJCHSA-N 461.400 5.398 50 10 JKGE Cc1cc(OCc2ccc(C(=O)N/N=C(\c3ccccc3)c3ccccn3)cc2)ccc1Cl 3222647 UELYTWZMVRQBKZ-URGPHPNLSA-N 455.945 5.805 50 10 JKGE CCOC(=O)c1ccccc1N/C=C(\C#N)c1nc(-c2ccc(-c3ccccc3)cc2)cs1 9405002 AADYERICIFHQTR-OQKWZONESA-N 451.551 6.630 50 10 JKGE CCOc1cccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4ccc(Br)cc4)ccc32)c1 38684850 OUVZYWMGRJHECU-QHCPKHFHSA-N 491.341 5.285 50 10 JKGE CCc1ccc(OC(=O)c2oc3c(c2C)/C(=N/NC(=O)c2cccc4ccccc24)CCC3)cc1 40813639 IKGLOMPTDCNKSY-BGABXYSRSA-N 466.537 5.993 50 10 JKGE O=C(COc1cc(Cl)ccc1Cl)N/N=C1\C(=O)N(Cc2ccc(Cl)cc2)c2ccccc21 40846367 GVBSYLDALHAARD-SLMZUGIISA-N 488.758 5.093 50 10 JKGE CCCCCCOc1ccc(/C=C(\C#N)C(=O)Nc2ccc(Cl)c([N+](=O)[O-])c2)cc1OC 40858594 FQSQOYOLUOGHRA-SFQUDFHCSA-N 457.914 5.762 50 10 JKGE COc1cc(/C=N/NC(=O)CSc2ccc(Cl)cc2)ccc1OCc1ccccc1C 40961719 QITFUYLDIZHNOZ-VULFUBBASA-N 454.979 5.478 50 10 JKGE CCOc1cc(/C=C(/C#N)C(=O)c2ccc(C)cc2)ccc1OCc1ccc(Cl)c(Cl)c1 98031164 LHJCMHWDHVWUBN-MTJSOVHGSA-N 466.364 7.069 50 10 JKGE Brc1ccc(C[C@@H](Br)c2cccc(I)c2)cc1 110296947 SUDMNSSOZVZFTP-CQSZACIVSA-N 465.954 5.732 50 10 JKGE COc1cc(Br)c(O[C@@H]2C[C@H](Br)C23CCCCC3)cc1Br 118819477 LSKXMJVGHVUFKN-LSDHHAIUSA-N 483.038 6.085 50 10 JKGE CCOc1ccc([C@@H](Br)c2ccc(F)cc2Br)c(Br)c1 123740685 AVTVIQWQBYRMBB-HNNXBMFYSA-N 466.970 6.234 50 10 JKGE COc1c(C)cc(Br)c(C)c1[C@H](Br)c1cc(Br)ccc1C 125708630 MKBDIVFLSGGESB-MRXNPFEDSA-N 477.034 6.630 50 10 JKGE CCOc1ccc([C@@H](Br)c2cc(C)cc(Br)c2)cc1Br 132035249 NQDNIWJVLPSFDN-MRXNPFEDSA-N 463.007 6.403 50 10 JKGE CCc1ccc([C@H](C)NC(=O)/C(C#N)=C\Nc2cc(C(F)(F)F)cc(C(F)(F)F)c2)cc1 217197499 WUJOWBFKTDQMNK-WIOAZZGGSA-N 455.402 5.983 50 10 JKGE COc1ccc(OC)c([C@@H](Br)c2cc(Cl)ccc2I)c1 234962047 MWWKGPDOKCYFDC-HNNXBMFYSA-N 467.528 5.446 50 10 JKGE Cc1c(C)c(C)c([C@H](Br)c2cc(Br)sc2Br)c(C)c1C 235836342 JIQCPVBEFNCEIT-OAHLLOKOSA-N 481.091 7.300 50 10 JKGE COc1ccc(C=NNC(=O)c2cc(-c3cc(C)ccc3C)nc3ccccc23)c(OC)c1OC 252621692 NERZFJLYSSRWGB-UHFFFAOYSA-N 469.541 5.308 50 10 JKGE COC(=O)CC[C@H](C)[C@@H]1CC[C@@H]2[C@H]3CC=C4C[C@H]5CC[C@]4(C)[C@@]3(O5)C(=O)[C@H](Br)[C@]12C 253579382 ZOLSFJBCIQJBLX-LSTJMJJASA-N 479.455 5.229 50 10 JKGE CCOC(=O)COc1ccc2ccccc2c1C=NNC(=O)CSc1cccc2ccccc12 254382466 BSEVJDXTAPHQHQ-UHFFFAOYSA-N 472.566 5.177 50 10 JKGE CC(=NNC(=O)c1cc(-c2cccs2)nc2ccccc12)c1ccc(C2CCCCC2)cc1 254451263 JYRWPAMOVWKFCJ-UHFFFAOYSA-N 453.611 7.165 50 10 JKGE CC(=NNC(=O)CSc1nc2ccccc2c(=O)n1-c1ccccc1)c1ccc2ccccc2c1 254747444 FMXOOUHBTYITNE-UHFFFAOYSA-N 478.577 5.171 50 10 JKGE O=C(Nc1ccccc1CCl)c1cc(Br)ccc1I 300479073 IACWKZWDOPHYAV-UHFFFAOYSA-N 450.501 5.045 50 10 JKGE Cc1cc([C@@H](Cl)c2cc(I)cc3c2OCC3)sc1Br 311543098 JDZGBAVQXBABKD-LBPRGKRZSA-N 469.569 5.687 50 10 JKGE Clc1ccc(Br)c(C[C@@H](CBr)Cc2ccc(Br)cc2)c1 380773513 SDKGHFQDKGTXMS-LBPRGKRZSA-N 481.453 6.661 50 10 JKGE Cc1nc(C#Cc2ccnc(CI)c2)c(C)n1-c1ccc(OC(F)(F)F)cc1 607715888 KUKVWJGYFOTSFC-UHFFFAOYSA-N 497.258 5.118 50 10 JKGE C[C@@H](Cl)c1nc2ccc(F)c(Br)c2n1C(C)(C)CN(C)Cc1ccccc1 689781152 VXPRLFVWRKZBRG-CQSZACIVSA-N 452.799 6.105 50 10 JKGE Fc1ccc([C@@H](Br)c2c(F)cccc2Br)c(F)c1Br 691637354 VARWAWRENIWPKS-LLVKDONJSA-N 458.897 6.113 50 10 JKGE Fc1ccc([C@H](Br)c2ccc(F)c(Br)c2F)c(Br)c1 691637423 VOFDSTYBQOJHJO-NSHDSACASA-N 458.897 6.113 50 10 JKGE O=C(NN=Cc1cccc(Br)c1)c1ccc(CN2CCC(Cc3ccccc3)CC2)cc1 1084136790 ZYLVJQNKODAYSR-UHFFFAOYSA-N 490.445 5.668 50 10 JKGE Cc1cccc(COc2ccc(Br)cc2C=NNC(=O)CC[C@@H](O)c2ccccc2)c1 1084368353 GGSQNXPVLLOBEF-HSZRJFAPSA-N 481.390 5.300 50 10 JKGE Cc1c(C(=O)Nc2ccc(N=Nc3ccccc3)cc2)oc2c1C(=NNC(=O)c1ccco1)CCC2 1772748169 ZDLGLJOGRSQDMQ-UHFFFAOYSA-N 481.512 6.319 50 10 JKGE COc1cc(C=NNC(=O)COc2ccc(C(C)(C)C)cc2)ccc1OCc1ccccc1Cl 1772754018 BCJQQJFGXUZLOO-UHFFFAOYSA-N 480.992 5.754 50 10 JKGE O=C(COc1cccc2ccccc12)NN=Cc1cc(Br)ccc1OCc1ccccc1 1772754233 SXKOIYGFNGHDPL-UHFFFAOYSA-N 489.369 5.710 50 10 JKGE Cc1ccc(C(=O)CCC(=O)NCc2ccc(OC(=O)Nc3ccc(SC#N)cc3)cc2)cc1 1858907169 JCSFECLMNMFUSU-UHFFFAOYSA-N 473.554 5.458 50 10 JKGE N#CSc1ccc(NC(=O)c2cc(CCc3ccccc3)n(Cc3cccc(Cl)c3)n2)cc1 1862326253 DEFSWHIDASSKBK-UHFFFAOYSA-N 473.001 6.195 50 10 JKGE CCCOc1cccc([C@H]2C(C#N)=C(N)Oc3c2c(-c2ccccc2)nn3Cc2cccc(Cl)c2)c1 1865693859 MESDKHSBWUGXJU-VWLOTQADSA-N 496.998 6.259 50 10 JKGE CCc1nn(Cc2cc(C)ccc2C)c2c1[C@H](c1ccc(OC(C)C)c(OC)c1)C(C#N)=C(N)O2 1865695870 ABEQNFKMGGWZGF-RUZDIDTESA-N 472.589 5.125 50 10 JKGE COc1cc([C@H]2C(C#N)=C(N)Oc3c2c(C)nn3-c2cccc3ccccc23)ccc1OC(C)C 1865696869 SKRQVNWUJAFXQM-SANMLTNESA-N 466.541 5.348 50 10 JKGE CCCCCCOc1ccc([C@@H]2C(C#N)=C(N)Oc3c2c(CC)nn3Cc2ccccc2)cc1OC 1865696876 SSQXDISZRWPGJQ-AREMUKBSSA-N 486.616 5.680 50 10 JKGE CCCCOc1ccc([C@H]2C(C#N)=C(N)Oc3c2c(CCC)nn3Cc2cccc(F)c2)cc1OC 1865697563 WOBIKQPFXRKUDD-VWLOTQADSA-N 490.579 5.429 50 10 JKGE Cn1cc([C@@H]2C(C#N)=C(N)Oc3c2c(-c2ccccc2)nn3-c2ccc(Cl)cc2)c2ccccc21 1865699388 SJBNSDQFAFNHCJ-DEOSSOPVSA-N 477.955 5.903 50 10 JKGE CCc1nn(-c2cccc3ccccc23)c2c1[C@@H](c1cc(Cl)c(O)c(OC)c1)C(C#N)=C(N)O2 1865707125 OLJWNYGGEOMLBC-QFIPXVFZSA-N 472.932 5.174 50 10 JKGE CCCc1nn(Cc2ccc(Cl)cc2)c2c1[C@@H](c1ccc(C(F)(F)F)cc1)C(C#N)=C(N)O2 1865710824 JHJZHXASGVDOJJ-FQEVSTJZSA-N 472.898 5.774 50 10 JKGE COc1ccccc1-c1ccc(C(=O)N/N=C\c2cccc(OCc3ccccc3)c2)c(C)n1 1865762435 GBRBWJPCCRTTLG-MIXAMLLLSA-N 451.526 5.409 50 10 JKGE Cc1ccc(-c2nc3cc(C(=O)N[C@@H](C)C(=O)Nc4ccc(SC#N)cc4)ccc3o2)cc1 1866871538 CDIAPASJCUTXOS-INIZCTEOSA-N 456.527 5.133 50 10 JKGE CC(C)c1nc(Nc2ccc(SC#N)cc2)cc(N2CCN(c3ccc4oc(O)nc4c3)CC2)n1 1868231769 RLBPGMKKRMLVJQ-UHFFFAOYSA-N 487.589 5.090 50 10 JKGE COCCc1nc(Nc2ccc(SC#N)cc2)cc(N2C[C@@H](C)Cc3cc(OC)ccc32)n1 1868253772 SMSDJZPKILWEQE-KRWDZBQOSA-N 461.591 5.321 50 10 JKGE C[C@H]1COC[C@H](C)N1c1cc(Nc2ccc(SC#N)cc2)nc(-c2ccccc2Cl)n1 1868413610 BWNYTEIEDDRHHY-HOTGVXAUSA-N 451.983 5.727 50 10 JKGE N#C/C(=C(O)\C=C/c1ccc2c(c1)OCCO2)c1nc(-c2cccc(Br)c2)cs1 1872746071 PZGVXVSIXMEIHY-HQXVDDKPSA-N 467.344 5.850 50 10 JKGE CCOC(=O)c1ccc(N2C[C@H](/C(O)=C(\C#N)c3nc(-c4ccc(F)c(C)c4)cs3)CC2=O)cc1 1872750003 RURVTOPRTCWXFU-FCZGTTMTSA-N 491.544 5.280 50 10 JKGE N#C/C(=C(O)\C=C\c1ccc(OCc2ccccc2)cc1)c1nc(-c2ccc(F)c(F)c2)cs1 1872751554 MYMJKHVKRNXIOG-ANFIVWSKSA-N 472.516 7.173 50 10 JKGE CCOc1ccc(-c2csc(/C(C#N)=C(\O)[C@@H]3CC(=O)N(Cc4ccccc4)C3)n2)c(OCC)c1 1872755621 XBLRVYDELOSTEC-JEOADQEBSA-N 489.597 5.449 50 10 JKGE CC(C)[C@@H](/C(O)=C(\C#N)c1nc(-c2ccc3ccccc3c2)cs1)N1C(=O)c2ccccc2C1=O 1873940994 QWBRJVBLCLWINR-JRURIKFDSA-N 479.561 6.077 50 10 JKGE BrCc1c(Br)c(Br)cc(Br)c1Br 1881622897 PNYMVMJKNUONDZ-UHFFFAOYSA-N 486.621 5.632 50 10 JKGE Cl[C@H](c1cc(Br)ccc1OCc1ccccc1)c1sccc1Br 1899885876 YTNVACFUIQRQKH-QGZVFWFLSA-N 472.629 7.180 50 10 JKGE Clc1cc(CC[C@H](Br)COCc2ccccc2)ccc1I 1907287488 ULNROJUAEDZKCA-HNNXBMFYSA-N 479.583 5.858 50 10 JKGE Clc1cc(Br)c([C@H](Br)c2cc(Br)sn2)s1 1909888579 FKIPZLYXWTWVCI-SSDOTTSWSA-N 452.418 5.867 50 10 JKGE O=C(c1cc(Br)ccc1Br)N(Cc1ccccc1)[C@H](CCl)C1CC1 1915159559 PUYCQIQQZLLLLI-GOSISDBHSA-N 471.620 5.871 50 10 JKGE CN(C[C@H](Br)COCc1ccccc1)C(=O)c1ccc(Cl)cc1C(F)(F)F 1916369013 JQNZWVBBHMZEJC-AWEZNQCLSA-N 464.709 5.411 50 10 JKGE Cc1c(Br)sc([C@@H](Br)c2c(F)cc(F)cc2F)c1Br 1922885703 VPVZSIIEKLBFBO-JTQLQIEISA-N 478.953 6.483 50 10 JKGE CS(=O)(=O)c1sccc1[C@@H](Br)c1sc(Br)cc1Br 1922892411 AEFJGZYUCSKKBN-MRVPVSSYSA-N 495.077 5.222 50 10 JKGE Cc1c(Br)sc([C@H](Br)[C@H]2COc3ccccc32)c1Br 1922899170 AOASKYJERGKXQJ-JOYOIKCWSA-N 467.020 6.194 50 10 JKGE Clc1c(Br)sc(Br)c1[C@H](Br)C[C@@H]1CC[C@H]2C[C@@H]12 1923066899 WKEXTZZUCQLLHD-RULNZFCNSA-N 463.460 6.799 50 10 JKGE Cc1ccc([C@@H](Cl)c2c(Br)sc(Br)c2Br)s1 1924579717 JDCFGEVVIMNDJK-MRVPVSSYSA-N 465.457 6.734 50 10 JKGE Cc1cccc([C@H](Cl)c2c(Br)sc(Br)c2Br)c1C 1924585857 REVXXZVMXHLIAS-NSHDSACASA-N 473.455 6.981 50 10 JKGE Cc1cc([C@H](Cl)c2csc(Br)c2Br)sc1Br 1937735188 XBZLDUPPDQCLAB-MRVPVSSYSA-N 465.457 6.734 50 10 JKGE CCN[C@H](c1c(Br)sc(Br)c1Br)[C@H]1C[C@@H]1Br 1991466291 UJBUXRLVEFRTLK-YQJDLUKNSA-N 496.888 5.470 50 10 JKGE COc1cc(Br)c(C)cc1[C@H](Br)c1cscc1Br 2029262373 JYCVDTQSVRCFRQ-ZDUSSCGKSA-N 455.009 6.074 50 10 JKGE CCc1sc(Br)cc1[C@H](Br)c1cc(C)cc(Br)c1 2030222587 QWGJBNVFDJABOU-CQSZACIVSA-N 453.037 6.628 50 10 JKGE COc1ccc([C@H](Br)c2csc(Br)c2Br)c(F)c1 2032958618 ICVSOHAVNKJCAP-JTQLQIEISA-N 458.972 5.905 50 10 JKGE Fc1cc(Br)c(Cl)cc1[C@H](Cl)c1csc(Br)c1Br 2032959196 WNOCWWOXUNUDNR-JTQLQIEISA-N 497.836 7.156 50 10 JKGE COC1(C[C@H](Br)c2sc(Br)c(C)c2Br)CCCC1 2049789570 YIHRASQDBBOYGJ-VIFPVBQESA-N 461.057 6.367 50 10 JKGE CCC[C@H]1CC[C@H]([C@H](Br)c2cc(Br)c(Br)s2)CC1 2072704108 ITPUVBBOSLAJOF-KWBADKCTSA-N 459.085 7.316 50 10 JKGE Cl[C@H](c1cc(Br)c2c(c1)CCO2)c1csc(Br)c1Br 2093942176 MCSKTWDIRVNKCW-LLVKDONJSA-N 487.438 6.299 50 10 JKGE Brc1ccc(CN2C[C@H]3[C@@H](Br)CCC[C@H]3C2)c(Br)c1 2094581735 PTJDLQQYIJWZLI-GDLCADMTSA-N 452.028 5.207 50 10 JKGE COC1CC2(C1)CC([C@H](Cl)c1c(Br)sc(Br)c1Br)C2 2100345478 LJWBOTMOKUPNID-WGKVOOBSSA-N 493.486 6.521 50 10 JKGE BrC[C@]12CCC[C@@H]1CN(Cc1cccc(Br)c1Br)C2 2103172346 MLWOOJWISPPUDY-DOMZBBRYSA-N 452.028 5.209 50 10 JKGE C[C@@H](CCBr)CCN(CCCNC(=O)OC(C)(C)C)c1cccc(Br)c1 2106788484 PUCLIBROLYWWBN-INIZCTEOSA-N 492.296 5.982 50 10 JKGE O=C(c1csc(Br)c1Br)N1[C@H]2CC[C@@H]1C[C@H](CBr)C2 2128151689 JRSJIEDAKBMOIM-AYMMMOKOSA-N 472.040 5.051 50 10 JKGE CC[C@@H]1OCC[C@@H]1[C@@H](Br)c1c(C)c(Br)cc(C)c1Br 2136380939 XLQWKQXZHRJNSQ-ITDIGPHOSA-N 455.028 6.080 50 10 JKGE CCCc1nc(Br)c(Br)n1CCCCCCCCCBr 2143939094 DFKNPXSJZASQOL-UHFFFAOYSA-N 473.091 6.486 50 10 JKGE O=C(NC[C@H]1CC12CCC(Br)CC2)c1cc(Br)sc1Br 2157506994 ZFPAGHRKHANBHG-NQTXRORDSA-N 486.067 5.347 50 10 JKGE FC1(F)CC2(C[C@H]2[C@H](Br)c2cc(I)cc3c2OCC3)C1 2189396184 VFKLTGPJTJKPDE-NWDGAFQWSA-N 455.080 5.098 50 10 JKGE COc1cc(C)c([C@@H](Br)c2ccc(Br)cc2Cl)cc1Br 2198736568 FZFRUBIEKCMXAQ-HNNXBMFYSA-N 483.425 6.666 50 10 JKGE COc1cc(C)c([C@@H](Br)c2cc(F)cc(Br)c2)cc1Br 2198737598 QTORIXUZMYTVBM-HNNXBMFYSA-N 466.970 6.152 50 10 JKGE CCn1cc([C@H](Br)c2cc(Br)c(OC)cc2C)nc1Br 2198737947 UVVYZAKXQZMKOR-CYBMUJFWSA-N 466.999 5.229 50 10 JKGE COc1c(C)cc(Br)cc1[C@@H](Br)c1ccc(F)c(Br)c1 2206573358 ZTCGALPOYXSERB-AWEZNQCLSA-N 466.970 6.152 50 10 JKGE Cc1cc(Br)c([C@H](Br)[C@H]2C[C@H](Br)C2)c(C)c1Br 2214651816 DCTWIGXGKMYOJO-JRKPZEMJSA-N 489.871 6.438 50 10 JKGE Cc1cc([C@H](Br)c2c(C)sc(Br)c2C)ccc1Br 2218800334 JHPQUUXEOVTQGN-ZDUSSCGKSA-N 453.037 6.683 50 10 JKGE Cc1cc([C@H](Br)c2ccc(C)c(I)c2)c(C)cc1Br 2224622710 UUWNBJYEFVKRLV-MRXNPFEDSA-N 494.008 6.463 50 10 JKGE Cc1cc(Br)c([C@H](Br)[C@H]2CCC[C@H](C)O2)c(C)c1Br 2227361960 ITGWNSBYEPOFSY-TURKWSHLSA-N 455.028 6.222 50 10 JKGE Clc1cc(Br)c([C@H](Br)C2C[C@H]3CC[C@H](C2)C3)c(Cl)c1Cl 2232528753 JAHQUURDUXRATQ-UVPNAGLESA-N 461.452 7.672 50 10 JKGE Cc1cc(Br)c([C@H](Br)c2cccc(F)c2Br)c(C)c1Cl 2232530093 OSEUFYSNFQLYIS-CQSZACIVSA-N 485.416 7.105 50 10 JKGE COc1cc(Cl)c([C@@H](Br)c2ccc(C)c(I)c2)cc1Cl 2232832765 GSOLQWNPYHSRHM-HNNXBMFYSA-N 485.974 6.399 50 10 JKGE Fc1cc(Br)c(Br)cc1[C@@H](Br)[C@H]1CCCCC12CCC2 2233974521 FTDVEGLSWQNSOI-IAQYHMDHSA-N 469.030 7.147 50 10 JKGE COc1ccc(Br)c([C@H](Br)Cc2ccc(Br)cc2Cl)c1 2237455302 XCPGQGIPNXOBIC-CQSZACIVSA-N 483.425 6.552 50 10 JKGE Clc1cc(Br)ccc1C[C@@H](Br)c1cc(C2CC2)c(Br)s1 2237455574 NOPFDTFDOANMIA-GFCCVEGCSA-N 499.493 7.483 50 10 JKGE Brc1coc([C@H](Br)c2cc3sc(Br)cc3s2)c1 2252883750 UQTGJIUHUNXOJX-NSHDSACASA-N 457.006 6.565 50 10 JKGE Cc1c(Br)sc([C@H](Br)C[C@H]2CCCC23CC3)c1Br 2255264812 WFZYEHWYAMMFPF-NXEZZACHSA-N 457.069 6.988 50 10 JKGE Clc1cccc([C@H](Cl)c2c(Cl)sc(Br)c2Cl)c1Br 2256125191 JDTXICSSCOAYII-QMMMGPOBSA-N 469.840 7.562 50 10 JKGE Cc1cc(Br)c([C@H](Cl)c2cc(Br)c(Br)s2)c(C)c1F 2264468730 MNTVRASJMQAHDD-LLVKDONJSA-N 491.445 7.120 50 10 JKGE C[C@@H](c1ccncc1Br)[C@@H](Br)c1cccc(Cl)c1Br 2267978352 UJYLBRQBTFWRMZ-ISVAXAHUSA-N 468.414 6.500 50 10 JKGE CC(C)c1ccc([C@](C)(CI)O[C@@H]2CCN(Cc3ccccc3)C2)cc1 2272051690 XWJSQIUFSDQBBZ-PKTZIBPZSA-N 463.403 5.751 50 10 JKGE Fc1cc(Br)c(F)c(Br)c1[C@H](Br)c1ccc(Cl)cc1 2272739382 LXYNZCKKKHXQJW-LLVKDONJSA-N 475.352 6.628 50 10 JKGE Fc1cc(Br)c(Br)cc1[C@@H](Br)C[C@H]1CCCCC12CC2 2279687620 IIXLZOALQPARLP-PWSUYJOCSA-N 469.030 7.147 50 10 JKGE C[C@H]1CCC[C@@H](CCOc2c(Br)cc(CBr)cc2Br)C1 2279845259 LRCFACBCFWDJDJ-RYUDHWBXSA-N 469.055 6.702 50 10 JKGE Clc1ccc([C@@H](Br)c2cccc3ccccc23)cc1I 2283586288 YLWHSXPQEYLITJ-QGZVFWFLSA-N 457.536 6.582 50 10 JKGE COc1ccc([C@H](Cl)Cc2ccc(Br)cc2Cl)cc1I 2285009479 MUFYSBACRUWTTE-GFCCVEGCSA-N 485.974 6.238 50 10 JKGE C[C@@H]1OC2(C)CC1([C@@H](Br)c1c(F)cc(Br)c(F)c1Br)C2 2288344829 OEEWHDOPBKLWOS-UHXQQICNSA-N 474.965 5.883 50 10 JKGE Cc1nn(C)c([C@@H](Cl)c2c(F)cc(Br)c(F)c2Br)c1Br 2288486285 GMWSBADGCPHJGU-JTQLQIEISA-N 493.371 5.622 50 10 JKGE N#CC(C(=O)Nc1ccccc1)=C1S[C@@H](Cc2ccc(Cl)cc2)C(=O)N1c1ccc(F)cc1 2293038925 IMMVMQAZWAOHQD-QFIPXVFZSA-N 477.948 5.544 50 10 JKGE CC(C=CC=C(C)C=CC1=C(C)[C@@H](OC(=O)C=CC[C@H](C)CCCO)CCC1(C)C)=CC=O 2294818711 NZDKRQXMNZNHNV-CUNXSJBXSA-N 454.651 6.594 50 10 JKGE CO[C@@H]1C[C@@H]([C@@H](Br)Cc2cc(Br)cc(Br)c2)C12CCC2 2295329720 LZOKPBWGCMKNKX-SOUVJXGZSA-N 467.039 5.723 50 10 JKGE CCOc1ccc(C=C(C#N)C(=O)Nc2ncc(Cc3cc(C(F)(F)F)ccc3Cl)s2)cc1 2296834799 CJIARGUHXPUPCA-UHFFFAOYSA-N 491.922 6.350 50 10 JKGE COc1cc(C=C(C#N)C(=O)Nc2cc([N+](=O)[O-])ccc2F)ccc1OCc1cccc2ccccc12 2297551652 WZTDXVDPTOMYNK-UHFFFAOYSA-N 497.482 6.020 50 10 JKGE CC(C)([C@H](Br)c1cc(Br)ccc1OCc1ccccc1)C(F)(F)F 2299500538 GSKGFRPFNRMJFK-MRXNPFEDSA-N 466.135 7.053 50 10 JKGE Cc1ccc(NC(=O)C(C#N)=Cc2cc(Br)ccc2OCc2ccccc2Cl)cc1 2313540991 IFYQVEMDJFZEFH-UHFFFAOYSA-N 481.777 6.536 50 10 JKGE Brc1ccc(OCc2ccccc2)c([C@H](Br)C2CC[C@@H]3C[C@H]3CC2)c1 2314454713 ILMWTCFVIYAZGQ-JBYIUTFZSA-N 464.241 7.290 50 10 JKGE O=S1(=O)CCCC[C@@H]1[C@@H](Br)c1cc(Br)ccc1OCc1ccccc1 2314492220 VRRNHMLSFOJGLI-MOPGFXCFSA-N 488.241 5.431 50 10 JKGE CC1=C(C#N)C(=O)N(C2CCCCC2)C(=O)C1=Cc1ccc(OCc2ccc(Cl)cc2)cc1 2314616901 MLHWSPRPRHAMCU-UHFFFAOYSA-N 460.961 5.844 50 10 JKGE CCCc1sc(Br)cc1[C@H](Br)c1cccc(OCc2ccccc2)c1 2316178643 RVSWBLDTDVCRCA-OAQYLSRUSA-N 480.265 7.526 50 10 JKGE CC(C)(C)[C@H](C[C@H](Br)c1sc(Cl)cc1I)C(F)F 2316601082 ORBQWQWNHSQVKX-RQJHMYQMSA-N 471.576 6.760 50 10 JKGE FC1(F)CCC[C@@H]2[C@H]([C@@H](Br)c3sc(Cl)cc3I)[C@@H]21 2316657898 CSUHIMIDWMMREK-KNPZVZKISA-N 467.544 6.124 50 10 JKGE COc1c(Br)cc(C)c([C@@H](Br)[C@@H](C)C(F)F)c1Br 2317410678 MSSJBEFHZWMQTR-MUWHJKNJSA-N 450.943 5.866 50 10 JKGE COc1ccc(C(C#N)=Cc2cccc(OC(=O)c3ccccc3Br)c2)cc1OC 2320511398 SNVPXMSKRZWWBI-UHFFFAOYSA-N 464.315 5.750 50 10 JKGE CCSc1ccc(Cl)cc1CC(=O)NN=Cc1ccccc1OCc1ccc(C)cc1 2323679815 CZLWIKYUZVULHU-UHFFFAOYSA-N 453.007 6.032 50 10 JKGE FC1(F)CCC[C@@H](Cc2ccc(I)c(Br)c2)[C@@H]1Br 2325209055 KYOQUNNBZSCGKS-CABZTGNLSA-N 493.955 5.795 50 10 JKGE N#CC(=C(O)CN1C(=O)c2ccccc2C1=O)c1nc(-c2ccc(-c3ccccc3)cc2)cs1 2331231984 XXROHAFSQDIKAC-UHFFFAOYSA-N 463.518 5.566 50 10 JKGE CC[C@H](C)[C@@H](C(O)=C(C#N)c1nc(-c2ccc3ccccc3c2)cs1)N1C(=O)c2ccccc2C1=O 2331239244 XPDZEYOKQPOVCI-GKVSMKOHSA-N 493.588 6.467 50 10 JKGE C[C@H](Oc1ccc(Cl)cc1Cl)C(O)=C(C#N)c1nc(-c2ccc3c(c2)CCCC3)cs1 2331240246 MXRGRJWHCQYCBA-AWEZNQCLSA-N 471.409 7.256 50 10 JKGE COc1cccc(-c2csc(C(C#N)=C(O)C=Cc3ccc(OCc4ccccc4)cc3)n2)c1 2331248710 OJHFOXLMTFAQMY-UHFFFAOYSA-N 466.562 6.904 50 10 JKGE CCCOc1ccc(-c2csc(C(C#N)=C(O)Cc3ccc(F)c(C)c3)n2)cc1OCCC 2331293297 SXWSILVCTYUHLS-UHFFFAOYSA-N 466.578 6.871 50 10 JKGE CCCCc1ccc(N2C[C@@H](C(O)=C(C#N)c3nc(-c4ccc(OCC)cc4)cs3)CC2=O)cc1 2331305479 HTRQRZXJGCLXAQ-NRFANRHFSA-N 487.625 6.397 50 10 JKGE Cc1ccc(C)c(-c2csc(C(C#N)=C(O)C(=Cc3ccc(OC(C)C)cc3)c3ccccc3)n2)c1 2331319508 BXNXAVNKDXBRCY-UHFFFAOYSA-N 492.644 8.248 50 10 JKGE Cc1cc(C)c(C)c(-c2csc(C(C#N)=C(O)c3ccc4c(c3)C(=O)N(CC(C)C)C4=O)n2)c1C 2331364641 MHKJOPLFDKYFDR-UHFFFAOYSA-N 485.609 6.246 50 10 JKGE CCOc1ccc(-c2csc(C(C#N)=C(O)C=Cc3ccc(Cl)c(Cl)c3)n2)c(OCC)c1 2331386539 KTQULQFIYAIKRK-UHFFFAOYSA-N 487.408 7.420 50 10 JKGE CCOc1ccc(-c2csc(C(C#N)=C(O)C=Cc3ccccc3Cl)n2)c(OCC)c1 2331386584 PRLIKRLJVTXIEK-UHFFFAOYSA-N 452.963 6.767 50 10 JKGE COc1cc(-c2csc(C(C#N)=Cc3cc(OC)c(OC)cc3OC)n2)c(OC)cc1Cl 2331471836 LDGVSFYFIATBRO-UHFFFAOYSA-N 472.950 5.571 50 10 JKGE CCCCCCOc1ccc(C=C(C#N)c2nc(-c3ccc(Cl)s3)cs2)cc1OC 2331485075 NVFXCCYEYDEBMN-UHFFFAOYSA-N 459.036 7.557 50 10 JKGE CCN(Cc1ccccc1)c1ccc(C=C(C#N)c2nc(-c3cc(Cl)ccc3Cl)cs2)cc1 2331488834 AXUJEONELOCFLO-UHFFFAOYSA-N 490.459 8.208 50 10 JKGE CC1([C@H](Br)c2c(Cl)cc(Br)c(F)c2Br)CCCCC1 2337114814 UQEFAFNKWSQQFI-CYBMUJFWSA-N 477.437 7.411 50 10 JKGE COc1cccc(C[C@@H](CBr)Cc2sccc2I)c1 2338730737 TXQLUCMAOINRSU-GFCCVEGCSA-N 451.167 5.158 50 10 JKGE Brc1ccc(OCc2ccccc2)c([C@H](Br)[C@H]2COC3(CCC3)CO2)c1 2338791166 UPGUOTLMTGINPI-UXHICEINSA-N 482.212 5.802 50 10 JKGE Brc1cccc(Br)c1CO[C@H]1CCCCCC[C@@H]1Br 2340565233 BBWJLNLVZJTHFU-GJZGRUSLSA-N 455.028 6.215 50 10 JKGE CN(Cc1ccc(I)c(Br)c1)C1(CCl)CC(C)(C)C1 2349839400 HHENVCLRTBNQFH-UHFFFAOYSA-N 456.593 5.283 50 10 JKGE Fc1cc(CBr)c(N2CCC[C@@H]2[C@@H]2CCN(Cc3ccccc3)C2)cc1Cl 2362394397 MGRRZELTDCQDPF-DYESRHJHSA-N 451.811 5.865 50 10 JKGE COc1c(Br)cc(C)c([C@@H](Br)c2cc(Cl)n(C)n2)c1Br 2365192475 WDFVBIUELASQIV-NSHDSACASA-N 487.417 5.400 50 10 JKGE Cc1cc(Br)c(F)c(Br)c1[C@@H](Br)[C@@H]1OCCOC1(C)C 2365225731 MPLBYTKYUHSARQ-YPMHNXCESA-N 474.990 5.289 50 10 JKGE C[C@@H](Cl)CN(C(=O)c1cc(I)ccc1Br)C1CCCC1 2368860094 UCEUHWNTEGZSAA-SNVBAGLBSA-N 470.576 5.066 50 10 JKGE O=C(c1cc(Br)c(Cl)s1)N1CCC[C@@H](Br)[C@H]1C(F)(F)F 2370255877 CHMJYQBXYUCIDO-XRGYYRRGSA-N 455.521 5.094 50 10 JKGE Clc1ccc(I)cc1COCCCCCCCCCBr 2380372497 BBGBWBNTVBIDNG-UHFFFAOYSA-N 473.620 6.587 50 10 JKGE COc1ccccc1CN(C(=O)CCl)[C@@H](C(=O)NC1CCCCC1)c1ccc(Cl)cc1 3035249 NDDWPHIDXUPBQQ-HSZRJFAPSA-N 463.405 5.106 50 10 JKGE O=C(COc1ccc2cc(Br)ccc2c1Br)N/N=C/c1cccc(Cl)c1 12491282 XBPLHFKDHQRXFM-AUEPDCJTSA-N 496.586 5.547 50 10 JKGE O=C(CCCOc1ccc(Cl)cc1Cl)NNC(=O)N1c2ccccc2Sc2ccccc21 13988868 OQKZQUDNNWIFIF-UHFFFAOYSA-N 488.396 6.196 50 10 JKGE O=C(C=C(Sc1ccccc1)Sc1ccccc1)N/N=C/c1cccc(Cl)c1Cl 21316500 ZOHNZGVDAQSZOI-MFKUBSTISA-N 459.423 6.870 50 10 JKGE N#C/C(=C/c1ccc(-c2cc(C(F)(F)F)ccc2Cl)o1)C(=O)Nc1ccc(Cl)cc1 33284869 IRUVLWPZXKGXQW-XFXZXTDPSA-N 451.231 6.818 50 10 JKGE C=CCOc1cccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)COc4ccc(C)c(C)c4)ccc32)c1 38684586 CJYWZHLWZMTXNN-MUUNZHRXSA-N 482.536 5.071 50 10 JKGE CCCCOc1cccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4cccc(OCCC)c4)ccc32)c1 38685209 XGNACHZDTJRWRJ-MUUNZHRXSA-N 498.579 6.092 50 10 JKGE CCCOc1ccccc1[C@H]1C(C#N)=C(N)Oc2cc(OC(=O)c3oc4ccc(C)cc4c3C)ccc21 38700665 ZRXLVWZYNQSKSM-HHHXNRCGSA-N 494.547 6.276 50 10 JKGE CCCOc1ccccc1[C@@H]1C(C#N)=C(N)Oc2cc(OC(=O)c3ccccc3Cl)ccc21 40529700 XSDJXDQAHRMSTA-DEOSSOPVSA-N 460.917 5.566 50 10 JKGE Nc1c(NNC(=O)c2cccc3ccccc23)ncnc1Nc1cc(C(F)(F)F)ccc1Cl 40682699 WRBDWMKHCDEHBJ-UHFFFAOYSA-N 472.858 5.385 50 10 JKGE Cc1ccccc1C(=O)N/N=C1\CCCc2oc(C(=O)Oc3ccc4ccccc4c3)c(C)c21 40811478 HDEGIMGKDZMCMP-BYNJWEBRSA-N 452.510 5.739 50 10 JKGE Cc1c(C(=O)Nc2cccc(Cl)c2Cl)oc2c1/C(=N/NC(=O)c1ccccc1Cl)CCC2 40812689 TVJJPODNNMCPIB-LQKURTRISA-N 490.774 6.271 50 10 JKGE Cc1c(C(=O)Nc2ccc(Cl)c(Cl)c2)oc2c1/C(=N/NC(=O)c1cccnc1)CCC2 40814125 HKLQXGKTJWTHQB-WPWMEQJKSA-N 457.317 5.013 50 10 JKGE Cc1c(C(=O)N2c3ccc(F)cc3CC[C@H]2C)oc2c1/C(=N/NC(=O)c1cccs1)CCC2 40823671 HNMLJSXGDVZQTQ-DFCFRIHASA-N 465.550 5.241 50 10 JKGE O=C(O)c1ccc(Cl)c(-c2ccc(/C=N/NC(=O)c3cc4cc(Br)ccc4o3)o2)c1 59303718 QDESSOWYHBDHFO-YSURURNPSA-N 487.693 5.571 50 10 JKGE CCOC(=O)/C(C#N)=C\c1cc(Cl)c(OCCOc2ccc(C(C)(C)C)cc2)c(OCC)c1 89269942 WIAMXKCNOCUVPA-RGEXLXHISA-N 471.981 5.964 50 10 JKGE Cc1c(Cl)cccc1NC(=O)/C(C#N)=C\c1ccccc1OCc1cccc(C(F)(F)F)c1 96438712 VXGSRQZGFLCWMN-UYRXBGFRSA-N 470.878 6.792 50 10 JKGE C[C@@H]1CCCC[C@H]1NC(=O)[C@@H](c1ccc(Cl)cc1)N(C(=O)CCl)c1ccc(F)cc1 97914278 ISPMUNQAXYZMHV-RBQRDFNRSA-N 451.369 5.487 50 10 JKGE CCCCCCCOc1ccc(C(=O)NNC(=O)[C@@H](C)Oc2ccc(Cl)cc2Cl)cc1 100153661 GOSQITHGFOSBRE-MRXNPFEDSA-N 467.393 5.571 50 10 JKGE CC1=C(C#N)C(=O)N(Cc2ccco2)C(=O)/C1=C/c1ccc(OCc2ccc(Cl)cc2Cl)cc1 101336876 XNZHDLWATNEYGA-SSDVNMTOSA-N 493.346 5.958 50 10 JKGE CCOc1cc(Br)c([C@H](Br)c2ccc(Br)o2)cc1OCC 109864866 YAAPEYBEGHCRKQ-HNNXBMFYSA-N 482.994 6.086 50 10 JKGE COc1cc(C)c(Br)cc1[C@H](Br)c1cc(C)c(Br)s1 126064323 UCPLSQPTEGOYGG-ZDUSSCGKSA-N 469.036 6.383 50 10 JKGE C[C@@H](NC(=O)/C(C#N)=C\c1cn(-c2ccccc2)nc1-c1ccc2c(c1)OCCO2)c1ccccc1 210034855 ODUMTMVJJBMPIK-AOMYKUFJSA-N 476.536 5.095 50 10 JKGE CCCCCCOc1ccc(/C=C2\C(=O)N(C3CCCCC3)C(=O)C(C#N)=C2C)cc1OC 214366764 XPIVLSRNXCXUTG-JWGURIENSA-N 450.579 5.579 50 10 JKGE CCCCCOc1ccc(/C=C2\C(=O)N(Cc3ccc(F)cc3)C(=O)C(C#N)=C2C)cc1OCC 214410837 QWRVARBMUYHYKC-HAHDFKILSA-N 476.548 5.586 50 10 JKGE COc1ccc(Br)cc1[C@H](Cl)c1ccc(Br)cc1Br 234817552 IWNLOHOTIQHIKR-CQSZACIVSA-N 469.398 6.311 50 10 JKGE CC(=NNC(=O)c1csc2ccccc12)c1cccc(NC(=O)c2ccc(Cl)s2)c1 252592800 BHPFXVYLXYLGBK-UHFFFAOYSA-N 453.976 6.023 50 10 JKGE CCOc1cc(C(=O)NN=C(C)c2ccc(NC(=O)C3CCCC3)cc2)cc(OCC)c1OCC 252632025 VOPOSUJPMGHLHY-UHFFFAOYSA-N 481.593 5.165 50 10 JKGE N#Cc1cc([N+](=O)[O-])ccc1Oc1ccc(C=NNC(=O)CSc2nc3ccccc3s2)cc1 252632858 VXPKHPDKTZPLHI-UHFFFAOYSA-N 489.538 5.111 50 10 JKGE CCCCCCCCCCOc1ccc(C(=O)NN=Cc2ccc(-c3ccc([N+](=O)[O-])cc3)o2)cc1 252637654 XVFICGSHBVPUFH-UHFFFAOYSA-N 491.588 7.138 50 10 JKGE CC(=NNC(=O)c1sc2ccccc2c1Cl)c1ccc(NC(=O)c2ccc(Cl)cc2)cc1 254819728 PFMIEFIXTCEWHK-UHFFFAOYSA-N 482.392 6.614 50 10 JKGE O=C(OCc1ccccc1)N1C[C@H](c2ccc(Br)cc2Cl)[C@@H](CBr)C1 382725699 QBHNIGXJPJOAGX-YOEHRIQHSA-N 487.619 5.850 50 10 JKGE COc1cc2c(cc1F)nc(CCl)n2CCCN(Cc1ccccc1)Cc1ccccc1 390637689 MEKKFAQFKKYDOY-UHFFFAOYSA-N 451.973 6.015 50 10 JKGE ClCc1cc(Br)c(OCc2ccc(Br)o2)c(Br)c1 394038848 CBMWPXYWVXGXRT-UHFFFAOYSA-N 459.359 5.885 50 10 JKGE Cc1cc(Br)c([C@H](Cl)c2cnn(C)c2Br)cc1Br 394109009 GTBKFBPQTWZGRL-NSHDSACASA-N 457.391 5.344 50 10 JKGE CC(C)C(CBr)(CBr)Cc1cc(Cl)ccc1I 405313323 VICRZTBMJRQBDW-UHFFFAOYSA-N 494.436 5.919 50 10 JKGE FS(F)(F)(F)(F)c1cccc(Nc2nc(Br)c(Br)s2)c1 686902767 RRQABCPZPOPDJV-UHFFFAOYSA-N 460.085 7.069 50 10 JKGE Cc1cc(Br)c([C@@H](Br)C2CCC3(CC2)CC3)cc1Br 695644327 NHHBNQOPHMDQMV-HNNXBMFYSA-N 451.040 6.926 50 10 JKGE Cc1cc(Br)c([C@@H](Br)[C@@H]2CCCC3(CC3)C2)cc1Br 696529714 VEBDCXNOKMLHIF-ABAIWWIYSA-N 451.040 6.926 50 10 JKGE C[C@H]1CCC[C@@](CBr)(NC(=O)c2scc(Br)c2Br)C1 705418164 JXMIZYDSKJGYNY-ISVAXAHUSA-N 474.056 5.347 50 10 JKGE COCc1cc(Br)c([C@@H](Cl)c2cccc(I)c2)s1 710933055 AKJBJAIUKDRLQP-LBPRGKRZSA-N 457.558 5.590 50 10 JKGE Cc1cccc(C)c1-n1c(C)cc(C=NNC(=O)C(=O)Nc2ccc(Cl)c(C(F)(F)F)c2)c1C 725414878 LOSBORMXLBBHDE-UHFFFAOYSA-N 490.913 5.472 50 10 JKGE CC(C)(C)c1ccc(C(=O)NN=Cc2ccccc2OCc2ccc(Br)cc2)cc1 1084057031 AKFHHWPNTNRUJC-UHFFFAOYSA-N 465.391 6.090 50 10 JKGE O=C(Oc1ccc(C=NNC(=O)c2ccc(Cl)cc2Cl)cc1)c1ccc(Br)cc1 1084131173 KNUSXYIMQDPDMO-UHFFFAOYSA-N 492.156 5.739 50 10 JKGE COc1ccc(NC(=O)/C(C#N)=C\c2cc(Cl)ccc2OCc2cccc3ccccc23)cc1 1084449351 NDIUVRXAVCXPCX-JCMHNJIXSA-N 468.940 6.626 50 10 JKGE CCCOc1ccc(Br)cc1/C=C(/C#N)C(=O)Nc1ccc(Cl)c(Cl)c1 1084456273 DASQTYQZIPDBDV-JYRVWZFOSA-N 454.151 6.090 50 10 JKGE C[C@H](Sc1ccc(Cl)cc1)C(=O)NN=Cc1ccc(OCc2cccc3ccccc23)cc1 1084628897 JBPIJMIGBRFOCQ-IBGZPJMESA-N 475.013 6.703 50 10 JKGE CC1(C)Cc2cc(C(=NNC(=O)Nc3ccc([N+](=O)[O-])cc3)c3ccc(Cl)cc3)ccc2O1 1088689574 RLKRBJHZQQQEGL-UHFFFAOYSA-N 464.909 5.536 50 10 JKGE Cc1c(C(=O)Nc2cccc3cccnc23)oc2c1C(=NNC(=O)c1ccccc1Cl)CCC2 1772744627 YWHJTQUXBPEGTB-UHFFFAOYSA-N 472.932 5.512 50 10 JKGE Cc1cccc(NC(=O)c2oc3c(c2C)C(=NNC(=O)c2ccc(-c4ccccc4)cc2)CCC3)c1 1772747316 NBLBCMGQFJFIDQ-UHFFFAOYSA-N 477.564 6.286 50 10 JKGE Cc1ccc(CNC(=O)c2oc3c(c2C)C(=NNC(=O)c2cccc4ccccc24)CCC3)cc1 1772748069 NFYARPYHNKYEHV-UHFFFAOYSA-N 465.553 5.450 50 10 JKGE Cc1occc1C(=O)NN=C1CCCc2oc(C(=O)NN(c3ccccc3)c3ccccc3)c(C)c21 1772748224 ATVSVKBRSXOBGI-UHFFFAOYSA-N 482.540 5.443 50 10 JKGE C=C1CC[C@H](O[Si](C)(C)C(C)(C)C)C/C1=C\C=C1\CCC[C@@]2(C)[C@H]1CC[C@@H]2[C@H](C)CCCC(C)C 1848434287 DWIUSINKAVTSCC-IXDYYPRLSA-N 498.912 10.649 50 10 JKGE CCCc1nn(Cc2cccc(Cl)c2)c2c1[C@H](c1cccc3ccccc13)C(C#N)=C(N)O2 1865682401 NQWAPMCRMHUKOB-XMMPIXPASA-N 454.961 5.909 50 10 JKGE COc1cccc([C@H]2C(C#N)=C(N)Oc3c2c(-c2ccccc2)nn3-c2cccc3ccccc23)c1O 1865683263 BSHQKJFUBHGFFI-VWLOTQADSA-N 486.531 5.625 50 10 JKGE CCCc1nn(-c2ccc(Cl)cc2)c2c1[C@H](c1ccc(Cl)cc1Cl)C(C#N)=C(N)O2 1865686423 VSESXJNYHLCJQI-LJQANCHMSA-N 459.764 6.003 50 10 JKGE CCOc1ccc([C@H]2C(C#N)=C(N)Oc3c2c(CC)nn3-c2cccc3ccccc23)cc1OCC 1865689855 XQTRDCZOQIVQIE-SANMLTNESA-N 480.568 5.603 50 10 JKGE CCc1ccc([C@@H]2C(C#N)=C(N)Oc3c2c(-c2ccccc2)nn3Cc2ccc(Cl)cc2)cc1 1865708561 BCGZFZIETCNFRT-XMMPIXPASA-N 466.972 6.032 50 10 JKGE COCCc1nc(Nc2ccc(SC#N)cc2)cc(N2CCC[C@H]2Cc2ccc(Cl)cc2)n1 1868253738 RJPKLZUMUZXCHP-NRFANRHFSA-N 480.037 5.847 50 10 JKGE N#C/C(=C(/O)c1ccccc1C(=O)c1ccccc1)c1nc(-c2ccc(-c3ccccc3)cc2)cs1 1872743560 AWULJNRYKBQZTF-IKPAITLHSA-N 484.580 7.658 50 10 JKGE CCc1cccc(C)c1N1C[C@@H](/C(O)=C(\C#N)c2nc(-c3ccc(F)c(F)c3)cs2)CC1=O 1872751428 HNFFKLKUMJHIOY-BMCXAMSBSA-N 465.525 5.805 50 10 JKGE CC(C)c1ccc(-c2csc(/C(C#N)=C(\O)[C@@H](C)Oc3ccc(Cl)cc3Cl)n2)cc1 1872751938 IEIOSUGAZNIGOC-FSXJBPCSSA-N 459.398 7.500 50 10 JKGE CCCCCOc1ccc(/C=C(\C#N)c2nc(-c3ccc(Cl)c(Cl)c3)cs2)cc1OC 1872790635 VKWOEHUXTWLNHT-WOJGMQOQSA-N 473.425 7.759 50 10 JKGE CCCOc1ccc(-c2csc(/C(C#N)=C/c3cc(Br)c(OCC)c(OC)c3)n2)cc1 1872790946 NEMIPPKHABOZJJ-WOJGMQOQSA-N 499.430 6.833 50 10 JKGE COc1cc(/C=C(\C#N)c2nc(-c3cc(C)cc(C)c3OC)cs2)ccc1OCCc1ccccc1 1872792856 VAFOCPHKLKEULT-LFVJCYFKSA-N 496.632 7.130 50 10 JKGE CCCCOc1ccc(/C=C(\C#N)c2nc(-c3ccc(OC)cc3OC)cs2)cc1OCC 1872793516 DITGVRMJPAPQQN-CPNJWEJPSA-N 464.587 6.469 50 10 JKGE COc1ccc(C)cc1-c1csc(/C(C#N)=C(O)/C=C/c2ccc(OCc3ccccc3)cc2)n1 1873920872 LMSZOWIZVDLUBF-CURSINIGSA-N 480.589 7.212 50 10 JKGE CC(C)(C)OC(=O)N[C@@H](CBr)[C@@H]1CCN(C(=O)OC(C)(C)C)C2(CCCC2)C1 1891721227 OHWJNXSTRXMBPL-CVEARBPZSA-N 461.441 5.235 50 10 JKGE O=C1c2ccccc2C(=O)N1C[C@H](Cl)CCc1cc(Br)ccc1Br 1905436790 DCQNWFPFEYBFCU-CYBMUJFWSA-N 471.576 5.048 50 10 JKGE Cc1c(Br)sc([C@@H](Br)c2cccc(OC(F)F)c2)c1Br 1922881620 DKDJYJWTKLQLSP-JTQLQIEISA-N 490.989 6.667 50 10 JKGE Cc1cc(Br)cc([C@H](Cl)c2c(Br)sc(Br)c2Cl)c1 1923037787 FQZHBDNWQGZKJC-VIFPVBQESA-N 493.873 7.326 50 10 JKGE Fc1ccc([C@@H](Cl)c2c(Br)sc(Br)c2Cl)c(Cl)c1 1923038718 KHEXPOJCFAWAFQ-MRVPVSSYSA-N 453.385 7.047 50 10 JKGE CC[C@H](C)C[C@@H](Br)c1c(Br)sc(Br)c1Br 1924576166 KPXHZPTVPZWEDT-NTSWFWBYSA-N 483.889 6.908 50 10 JKGE Cl[C@@H](c1c(Br)sc(Br)c1Br)[C@@H]1CC[C@H]2C[C@H]1CO2 1924616218 MNWPGIUECVYAKZ-CLIVKXMMSA-N 479.459 6.131 50 10 JKGE COc1ccc([C@H](Br)c2c(Cl)sc(Br)c2Cl)c(OC)c1 1925599266 MSFKHGNXZVRBKY-JTQLQIEISA-N 461.002 6.319 50 10 JKGE C[C@@H](CBr)c1cc(Br)cc(Br)c1NC(=O)OC(C)(C)C 1951691197 CXJFMHJAUQPUET-QMMMGPOBSA-N 472.015 6.057 50 10 JKGE CC(C)(CBr)Cc1cc(NC(=O)OC(C)(C)C)ccc1I 1951694736 JMRUDUHXFNJCBU-UHFFFAOYSA-N 468.173 5.602 50 10 JKGE O=C(NC1(C(=O)O)CC(CCCC[C@@H]2CCSS2)C1)OCC1c2ccccc2-c2ccccc21 1952454138 JTONMNXAPHGSLK-QWHKJSHPSA-N 497.682 6.473 50 10 JKGE CCc1cc(Br)c([C@H](Br)c2cccc(Br)c2F)s1 2029232936 NGNBVUULQNTCSA-LLVKDONJSA-N 457.000 6.459 50 10 JKGE CS(=O)(=O)c1sccc1[C@@H](Cl)c1cc(Br)sc1Br 2033134919 IPOIHURLJZXNKT-MRVPVSSYSA-N 450.626 5.066 50 10 JKGE Cl[C@@H](c1c(Br)sc(Br)c1Br)[C@H]1CCCCC12CC2 2053370083 DPRSKOZBRRFULJ-GMSGAONNSA-N 477.487 7.286 50 10 JKGE FC(F)(F)[C@H]1CN(Cc2ccccc2)C[C@@H]1n1c(Cl)nc(Cl)c1CBr 2072950794 HXQVOTAYCDIXIF-AAEUAGOBSA-N 457.121 5.320 50 10 JKGE COc1c(C)cc(Br)cc1[C@@H](Br)c1ncsc1Br 2085628245 OIXLHVNTEDQDEZ-SECBINFHSA-N 455.997 5.469 50 10 JKGE Brc1cccc(C[C@@H]2C[C@@H]3CCCC[C@@H]3[C@@H]2Br)c1Br 2095363834 UOXIRZKJYZXQOB-GZCFXPHUSA-N 451.040 6.344 50 10 JKGE BrC[C@@H]1CCC2(CC2)CN1Cc1cccc(Br)c1Br 2097884073 BJEOUWFRTQEUIU-LBPRGKRZSA-N 452.028 5.351 50 10 JKGE Fc1ccc([C@H](Br)CCc2ccc(Br)cc2Br)cc1 2113381452 JSCLIFJERDEQQJ-CQSZACIVSA-N 450.971 6.420 50 10 JKGE CO[C@H]1C[C@H]([C@@H](Br)c2c(Cl)sc(Br)c2Cl)C[C@H]1OC 2118285001 GEWHPUJBZIQKME-JAGXHNFQSA-N 453.023 5.693 50 10 JKGE CC(C)(C)[C@H]1C[C@H]1COc1c(Br)cc(Br)cc1CBr 2135639648 JSAOXVYEFBJTMZ-JQWIXIFHSA-N 455.028 6.168 50 10 JKGE Cc1c(Br)ccc([C@H](Br)C2[C@H]3CCCCC[C@H]23)c1Br 2138870514 JJVNNWNZCWMVLG-MMPTUQATSA-N 451.040 6.782 50 10 JKGE COc1cc(Cl)c([C@H](Br)Cc2ccccc2I)cc1Cl 2143868159 LLRFOOQYYRUDDT-LLVKDONJSA-N 485.974 6.285 50 10 JKGE CC(C)(CC(F)(F)F)[C@H](Br)c1cc(I)cc2c1OCC2 2145283459 LNTYPSSNAAGJCE-GFCCVEGCSA-N 463.075 5.641 50 10 JKGE COc1cc(C)c(Br)cc1[C@@H](Cl)c1c(Br)cccc1Br 2150495192 VYTKKLSCRFSDOJ-OAHLLOKOSA-N 483.425 6.619 50 10 JKGE C[C@@H](Cl)c1nc2cc(Cl)c(Br)cc2n1[C@@H]1CCCN(Cc2ccccc2)C1 2168999709 WRGYOFAHJFENLM-GDBMZVCRSA-N 467.238 6.589 50 10 JKGE Brc1ccc(Br)c(C[C@@H]2CCc3ccccc3[C@@H]2Br)c1 2175143926 GPMXMPCKFJLSPV-YVEFUNNKSA-N 459.019 6.453 50 10 JKGE CCc1nn(C)c([C@@H](Br)c2cc(Cl)c(Br)cc2F)c1Br 2192385233 QPBMHLIOEBSNNX-NSHDSACASA-N 489.408 5.784 50 10 JKGE Cc1cc(Br)c(C)c([C@H](Br)C[C@H]2CCCOCC2)c1Br 2201066238 YBLCNJLQAHNCKR-GXTWGEPZSA-N 469.055 6.471 50 10 JKGE Cc1c(Br)ccc([C@H](Br)C2CC3(C2)CC32CCC2)c1Br 2203686072 MMWKJPIHTKMPBP-GMQFJONSSA-N 463.051 6.926 50 10 JKGE Cc1c(Br)ccc([C@@H](Br)C2(CC(C)C)CCCC2)c1Br 2203688335 UQCVYGDCXWOJMO-MRXNPFEDSA-N 467.083 7.563 50 10 JKGE Cc1ccc([C@@H](Br)c2sccc2Br)cc1I 2210200047 LPIADGXISJKWDW-LLVKDONJSA-N 471.983 5.908 50 10 JKGE Cc1nsc(Br)c1[C@H](Br)c1c(C)sc(Br)c1C 2213630035 MDTSZTSRVPQQCM-SECBINFHSA-N 460.054 6.139 50 10 JKGE Clc1cc(Br)c([C@H](Cl)c2cc(Br)cs2)c(Cl)c1Cl 2217609400 YMELKNGIYVYEOU-SNVBAGLBSA-N 469.840 7.562 50 10 JKGE CC(C)(C)OC(=O)NC[C@@H]1C[C@@H](C(C)(C)C)CN(CCCCCI)C1 2220213088 BYESWNKRTYLYQL-DLBZAZTESA-N 466.448 5.101 50 10 JKGE Fc1cc(Br)c(Br)cc1[C@H](Br)[C@@H]1CC[C@H]2[C@@H]1C2(F)F 2225618629 YYCPBWVOSDOIDX-RMRRXIHASA-N 462.929 6.078 50 10 JKGE Cc1c(Br)csc1[C@@H](Br)c1cc2c(cc1Br)OCC2 2226123218 NVIPGQLNYYNURA-ZDUSSCGKSA-N 467.020 6.001 50 10 JKGE O=C(Nc1ccc(Br)cc1I)c1ccc(CBr)cc1 2231445372 FHTNZSKAZSHZJG-UHFFFAOYSA-N 494.952 5.201 50 10 JKGE Cc1ccc(Br)c([C@@H](Cl)c2c(Br)cc(Cl)c(Cl)c2Cl)c1 2232514936 XTTLAMIXTHSZFU-GFCCVEGCSA-N 477.838 7.808 50 10 JKGE Fc1cc(Br)cc2c1nc(CCl)n2CC[C@H]1CCN(Cc2ccccc2)C1 2232916294 OSYHVELZXANLNY-MRXNPFEDSA-N 450.783 5.589 50 10 JKGE Cc1cc(Br)c([C@H](Cl)c2cc(C)c(Br)c(C)c2)cc1Br 2235679449 QZIMHDUEFANKCM-MRXNPFEDSA-N 481.453 7.228 50 10 JKGE Clc1ccc(I)c(CN2[C@H](CBr)C[C@@H]3CCCC[C@H]32)c1 2240673611 WCEGNDZURGWSOC-HZUKXOBISA-N 468.604 5.473 50 10 JKGE O=C(c1c(Br)cccc1Br)N1C[C@@H](Br)CC12CCCC2 2241029504 HNGFMMUAZBMRJG-JTQLQIEISA-N 466.011 5.134 50 10 JKGE Cc1c(Br)sc([C@@H](Cl)c2c(F)cccc2I)c1C 2255956724 GMRXKCPYFUSGNR-NSHDSACASA-N 459.549 6.199 50 10 JKGE C[C@@H]1C[C@H]1CCCCOc1c(Br)cc(CBr)cc1Br 2265722430 DMXWWCLNGGGPMO-ZYHUDNBSSA-N 455.028 6.312 50 10 JKGE Cc1cc(Cl)c(Cl)cc1[C@H](Br)c1c(F)cccc1I 2267662783 HNKVIHQRYZLVJN-AWEZNQCLSA-N 473.938 6.530 50 10 JKGE CC[C@]1([C@@H](Br)c2c(F)cc(Br)c(F)c2Br)CCCO1 2272747874 OXJVTCJLKKZWDU-QWHCGFSZSA-N 462.954 5.885 50 10 JKGE Cc1c(Br)cccc1[C@H](Cl)Cc1cc(Br)cc(Br)c1 2277957754 WPKNMTMBXGFWKX-OAHLLOKOSA-N 467.426 6.805 50 10 JKGE CC1(C)CCC([C@@H](Br)Cc2cc(Br)cc(Br)c2)CC1 2277965076 JVFGINPWWGAQDO-HNNXBMFYSA-N 453.056 6.734 50 10 JKGE COc1c(Br)cc(Cl)c(C)c1[C@@H](Cl)c1sccc1I 2277988946 HDLVJSYNSINWGM-LLVKDONJSA-N 492.003 6.414 50 10 JKGE Clc1ccc([C@@H](Br)c2ccc([C@@H]3CCOC3)s2)cc1I 2283580166 DAWIZWRSDGQXIG-MEBBXXQBSA-N 483.596 5.994 50 10 JKGE COc1c([C@H](Br)c2sccc2Br)cc(Br)c2c1CCC2 2284592170 BIWWMQGVSZINRR-ZDUSSCGKSA-N 481.047 6.255 50 10 JKGE Cc1ccc(N2C(=O)[C@H](Cc3cccc(C)c3)SC2=C(C#N)C(=O)NCCc2ccccc2)cc1 2293038680 TWRANUWTXFANDP-SANMLTNESA-N 481.621 5.089 50 10 JKGE N#CC(=CNc1ccc2c(C(F)(F)F)cc(=O)oc2c1)c1nc(-c2ccc([N+](=O)[O-])cc2)cs1 2295956288 WEHOWLDCHMFMQY-UHFFFAOYSA-N 484.415 5.820 50 10 JKGE CCOC(=O)c1c(NC=C(C#N)c2nc(-c3ccc4ccccc4c3)cs2)sc(C)c1C 2296789971 GCFJTDUHXIFQQX-UHFFFAOYSA-N 459.596 6.795 50 10 JKGE COCC1(C[C@H](Br)c2ccc(OCc3ccccc3)cc2Br)CC1 2299535024 KNOKBIVQPRBVEI-IBGZPJMESA-N 454.202 6.281 50 10 JKGE CC(C)(F)C[C@H](Br)c1c(Cl)cc(Br)c(F)c1Br 2300165928 MYBMRTMRSBJOMJ-LURJTMIESA-N 455.362 6.578 50 10 JKGE COc1c([C@@H](Br)c2sc(Cl)cc2I)csc1Cl 2300955890 RTAGTDYEMIFZLU-SSDOTTSWSA-N 484.005 6.214 50 10 JKGE N#CC(=Cc1ccccc1OCc1ccccc1Cl)C(=O)N1CCN(c2ccccc2)CC1 2313545768 DOHJFBQAGVYCHJ-UHFFFAOYSA-N 457.961 5.175 50 10 JKGE N#CC(=Cc1ccc(N2N=C(c3ccccc3)C[C@@H]2c2ccccc2)cc1)c1ccc(Cl)cc1Cl 2314482459 LLVPCUOAGHELAA-SSEXGKCCSA-N 494.425 8.413 50 10 JKGE N#CC(=Cc1ccc(-c2ccc(Cl)c(Cl)c2)o1)C(=O)Nc1sc2c(c1C#N)CCCC2 2314487101 GRVUTHHIVVAIIX-UHFFFAOYSA-N 468.365 6.611 50 10 JKGE COc1ccc(N2C(=O)[C@H](Cc3ccc(C)cc3)SC2=C(C#N)C(=O)Nc2ccc(C)cc2)cc1 2314591940 IDHBALUBYRBJMU-VWLOTQADSA-N 483.593 5.377 50 10 JKGE CCOc1ccc(C=C(C#N)C(=O)Nc2sc(=S)c3c(c2C#N)CC[C@@H](C)C3)cc1OC 2314793726 YNNMOAAEFUDCSU-CQSZACIVSA-N 465.600 5.427 50 10 JKGE CCCc1sc(Br)cc1[C@@H](Br)c1scc(Br)c1C 2316172884 JCEXNTXAOOVUAV-GFCCVEGCSA-N 473.093 7.080 50 10 JKGE Cc1ccc(COc2ccc(C=NNC(=O)[C@H](Cc3ccccc3)NC(=O)OC(C)(C)C)cc2)cc1 2328798572 NAFXABCTJISTHX-SANMLTNESA-N 487.600 5.160 50 10 JKGE CCOC(=O)c1c(-c2ccc(C)cc2)csc1NC(=O)C(C#N)=Cc1cccc(Cl)c1 2329687305 KGKPZHAYNIDLTL-UHFFFAOYSA-N 450.947 6.099 50 10 JKGE N#CC(=C(O)Cc1ccc(Cl)c(Cl)c1)c1nc(-c2ccc(-c3ccccc3)cc2)cs1 2331231555 BKPOZHPLLBLRSM-UHFFFAOYSA-N 463.389 7.819 50 10 JKGE CC(C)c1ccc(O[C@H](C)C(O)=C(C#N)c2nc(-c3ccc(-c4ccccc4)cc3)cs2)cc1 2331231969 DVRODOVNNWLKDG-HXUWFJFHSA-N 466.606 7.861 50 10 JKGE COc1ccc(-c2csc(C(C#N)=C(O)COc3ccc(C)cc3C(C)(C)C)n2)cc1OC 2331242593 REBRQYYHYJACLV-UHFFFAOYSA-N 464.587 6.305 50 10 JKGE C[C@H](Oc1ccc(Cl)cc1)C(O)=C(C#N)c1nc(-c2cccc(Br)c2)cs1 2331278841 MTLJSQNBCDMPSZ-LBPRGKRZSA-N 461.768 6.486 50 10 JKGE Cc1cccc(N2C(=O)c3ccc(C(O)=C(C#N)c4nc(-c5ccccc5)cs4)cc3C2=O)c1C 2331300997 JAMRTKQXNWLREQ-UHFFFAOYSA-N 477.545 6.177 50 10 JKGE COc1c(Cl)cc(-c2csc(C(C#N)=C(O)Cc3ccccc3Cl)n2)cc1Cl 2331396547 MJIHRLSMWIGRCD-UHFFFAOYSA-N 451.762 6.814 50 10 JKGE COC(=O)c1ccc(C=CC(O)=C(C#N)c2nc(-c3cc(Cl)ccc3OC)cs2)cc1 2331411033 GOMVQOKREALIQS-UHFFFAOYSA-N 452.919 5.765 50 10 JKGE CCCCOc1ccc(C=C(C#N)c2nc(-c3cc(OC)ccc3OC)cs2)cc1OCC 2331450454 LRZYODFORRRWTO-UHFFFAOYSA-N 464.587 6.469 50 10 JKGE COc1cc(C)ccc1[C@H](Br)c1cc(Br)ccc1OCc1ccccc1 2336074076 BSGXGHXKPLLMBN-QFIPXVFZSA-N 476.208 6.829 50 10 JKGE Cc1cc(Br)c(F)c(Br)c1[C@@H](Br)CC1CCCCC1 2339646037 NMFOBSCAJHEQKW-NSHDSACASA-N 457.019 7.066 50 10 JKGE Fc1ccc(Br)c([C@@H](Cl)c2c(F)cc(Cl)c(Br)c2Cl)c1 2360491662 CUGWRFCEFOCPFR-GFCCVEGCSA-N 465.346 7.125 50 10 JKGE Cc1ccc(N(C)Cc2cccc(I)c2)c(CBr)c1Cl 2360551410 OJSPTAZYHSOBHO-UHFFFAOYSA-N 464.572 5.784 50 10 JKGE Brc1ccc(OCc2ccccc2)c([C@H](Br)[C@@H]2CCC[C@@H]3CCCC[C@@H]32)c1 2361193808 CNCWTYZJEQLAEA-IKQBDLNTSA-N 492.295 8.071 50 10 JKGE Cn1nc(Br)c(Br)c1[C@H](Cl)c1c(F)cc(F)c(Br)c1F 2364051851 SWIRCWRZVPOJPU-MRVPVSSYSA-N 497.334 5.453 50 10 JKGE Cc1cc(Br)c(F)c(Br)c1[C@H](Br)[C@]1(C)CCCC1(F)F 2365180049 QWEBSCCYQINGQB-STQMWFEESA-N 478.972 6.921 50 10 JKGE Clc1cc(Cl)cc(CC[C@@H](Br)c2cc(Cl)cc(Br)c2)c1 2366888598 RSVVILOAMUUPQE-OAHLLOKOSA-N 457.420 7.478 50 10 JKGE Cc1cc(Br)c(F)c(Br)c1[C@@H](Br)C12CC(C[C@H](C)O1)C2 2368040332 SMYWSPWHEGSBPO-HCVSYZCBSA-N 471.002 6.053 50 10 JKGE Brc1cc2c(cc1[C@@H](Br)c1ccccc1OCc1ccccc1)CCCO2 2369639858 JBAMPBGURVOHIO-QHCPKHFHSA-N 488.219 6.837 50 10 JKGE ClC[C@]12CCC[C@@H]1N(Cc1ccc(I)c(Br)c1)CCC2 2377342659 INCQOXRSNZAYCM-JKSUJKDBSA-N 468.604 5.427 50 10 JKGE C[C@@]1(NC(=O)c2cc(Br)sc2Br)C[C@H]2CC[C@H]1C[C@@H]2Br 2380907705 BFRCXTMDFAYTKT-VGMIOIIVSA-N 486.067 5.345 50 10 JKGE O=C([C@@H](Cl)c1ccccc1)N(CC(=O)N1CCc2sccc2[C@H]1c1ccc(Cl)cc1)C1CC1 16487350 FULVDQFBOZFQKA-LOSJGSFVSA-N 499.463 5.847 50 10 JKGE CCCCOc1ccc(-c2nn(-c3ccccc3)cc2/C=C(\C#N)c2nc3ccccc3s2)cc1F 33887983 UJVMEAHBNJUKCR-LTGZKZEYSA-N 494.595 7.531 50 10 JKGE CC1CCN(C(=O)/C(C#N)=C2/SC=C(c3ccc(Br)cc3)N2c2ccccc2)CC1 35044447 CLVQRUHHFGOONK-DARPEHSRSA-N 480.431 5.995 50 10 JKGE CCOc1ccccc1[C@@H]1C(C#N)=C(N)Oc2cc(OC(=O)c3ccccc3Br)ccc21 38650444 VPEVBMOQASXPKT-QHCPKHFHSA-N 491.341 5.285 50 10 JKGE CCOc1c(Cl)cc(C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@H]3c2cccc(F)c2)cc1Cl 38678162 OJCAZQYJQFEYTJ-QFIPXVFZSA-N 499.325 5.969 50 10 JKGE Cc1c(C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@H]3c2cccc(Cl)c2)oc2ccc(F)cc12 38687718 QYPZDXRZUCHCHK-QHCPKHFHSA-N 474.875 5.971 50 10 JKGE Cc1ccc(Oc2nc3ccccn3c(=O)c2/C=C(\C#N)C(=O)Nc2cc(C)ccc2C)c(C)c1 39993130 WXELDOWFDCDUBX-RCCKNPSSSA-N 464.525 5.266 50 10 JKGE COc1ccc(C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@@H]3c2ccc(C(C)(C)C)cc2)cc1Cl 40530291 LYKMKQHXNVKZIO-RUZDIDTESA-N 488.971 6.083 50 10 JKGE CCCCOc1ccc(Nc2ncnc(NNC(=O)c3cccc4ccccc34)c2[N+](=O)[O-])cc1 40620047 YJXDQQYRAKAZIV-UHFFFAOYSA-N 472.505 5.217 50 10 JKGE Cc1ccc(NC(=O)c2oc3c(c2C)/C(=N/NC(=O)c2ccc(F)cc2)CCC3)cc1Cl 40811895 RFUUXRCYDIWAGU-TURZUDJPSA-N 453.901 5.412 50 10 JKGE Cc1cccc(NC(=O)c2oc3c(c2C)/C(=N/NC(=O)c2ccc(-c4ccccc4)cc2)CCC3)n1 40822809 PNVSRAZAURFRRL-AWSUPERCSA-N 478.552 5.681 50 10 JKGE CCc1ccc(OCC(=O)N/N=C/c2ccc(OCc3ccccc3Cl)c(OC)c2)cc1 40846826 XMRVPRQMUSXQRC-JFLMPSFJSA-N 452.938 5.019 50 10 JKGE CCOC(=O)/C(C#N)=C/c1ccc(OC(=O)COc2ccc(-c3ccc(C)cc3)cc2)c(OCC)c1 40867312 XZWUSBIGSWQRLX-LFVJCYFKSA-N 485.536 5.515 50 10 JKGE Cc1cc(OCC(=O)N/N=C/c2cccc(Br)c2)c(C(C)C)cc1Br 40902741 IJMQSEUXVVYCLB-LSHDLFTRSA-N 468.189 5.173 50 10 JKGE CC(C)(c1ccccc1)c1ccc(OCC(=O)N/N=C/c2ccc(-c3ccc([N+](=O)[O-])cc3)o2)cc1 59160928 NQVJGCHOOYWCCH-RDRPBHBLSA-N 483.524 5.710 50 10 JKGE COc1cc(/C=N/NC(=O)c2cccc(C)c2)ccc1OCc1ccc(Br)cc1 59445165 ZOWGGPJBFSRBME-AFUMVMLFSA-N 453.336 5.109 50 10 JKGE Fc1ccc(C[C@H](CBr)Cc2ccccc2Br)cc1Br 97185858 CHLJTAWCZVFOFP-LBPRGKRZSA-N 464.998 6.147 50 10 JKGE C=CCNC(=O)/C(C#N)=C\c1ccc(OC(=O)c2ccc(OCCCCCC)cc2)c(OC)c1 98028252 XURVHIYNZMEFCQ-XLNRJJMWSA-N 462.546 5.083 50 10 JKGE Cc1ccc(-c2csc(/C(C#N)=C\Nc3ccccc3OC(F)(F)[C@H](F)Cl)n2)cc1C 102419835 YGFFXSKHGPSDAJ-NIHHCSOHSA-N 463.912 6.910 50 10 JKGE N#C/C(=C\c1ccc(O)c([N+](=O)[O-])c1)c1nc(-c2cc3cc(Br)ccc3oc2=O)cs1 102938175 WDYTUXUKGPBBAO-WLRTZDKTSA-N 496.298 5.357 50 10 JKGE FC(F)(F)c1ccc([C@H](Br)c2cc(Br)ccc2Br)cc1 109844731 XNUCSTYBQCCEEC-ZDUSSCGKSA-N 472.924 6.715 50 10 JKGE Fc1ccccc1C(CBr)(CBr)Cc1ccc(Br)cc1 118878407 XRPONLMAYFEREP-UHFFFAOYSA-N 464.998 5.859 50 10 JKGE COc1ccc([C@@H](Br)c2csc(I)c2)c2ccccc12 124405854 NCHVTWFKPRQDFN-INIZCTEOSA-N 459.146 5.999 50 10 JKGE Fc1ccc(Cl)c(CC(CBr)(CBr)c2ccc(Cl)cc2)c1 126229431 IMWMFNXPOSSEQI-UHFFFAOYSA-N 454.992 6.403 50 10 JKGE C[C@@]12CC3CC([C@H](Br)c4cc(Br)c(Br)s4)(C1)C[C@](C)(C3)C2 128294781 CYXWRUPUNDPAII-PYARWRRDSA-N 497.134 7.706 50 10 JKGE Fc1cccc(C[C@H](CBr)c2cccc(Br)c2)c1Br 157911204 CSRSIIWTOQOIAJ-GFCCVEGCSA-N 450.971 6.072 50 10 JKGE N#C/C(=C/c1ccc2noc(-c3ccccc3)c2c1)c1nc(-c2ccc([N+](=O)[O-])cc2)cs1 209404676 DYBJLTAZRYPJQZ-UNOMPAQXSA-N 450.479 6.591 50 10 JKGE Cc1ccc2nc(-c3ccc(N/C=C(/C#N)C(=O)Nc4ccc(Cl)c([N+](=O)[O-])c4)cc3)sc2c1 217229524 FKIIZDRDMMALHA-SSZFMOIBSA-N 489.944 6.291 50 10 JKGE CCOc1ccc(CCN/C=C(/C#N)C(=O)Nc2ccc(Cl)c(C(F)(F)F)c2)cc1OCC 217250245 YAZGZYFFIVWAKG-PEZBUJJGSA-N 481.902 5.334 50 10 JKGE COc1ccc(C[C@H](Br)c2ccc(I)c(Cl)c2)cc1 232386337 BFWYZLNVOCAYAK-ZDUSSCGKSA-N 451.529 5.632 50 10 JKGE CCCCc1ccc([C@@H](Br)c2cc(Br)sc2Br)cc1 233039522 ALBSHBHJKPNKHA-CQSZACIVSA-N 467.064 7.100 50 10 JKGE COc1cc(F)c(Br)cc1[C@@H](Br)c1cccc(Br)c1 234866607 FOKNDXKCQQGLGC-AWEZNQCLSA-N 452.943 5.844 50 10 JKGE COc1cc([C@H](Br)c2ccoc2Br)c(OC)cc1Br 234925419 WMHAYDDDDJFQJY-GFCCVEGCSA-N 454.940 5.306 50 10 JKGE COc1cc(F)c([C@H](Br)c2cc(Cl)ccc2I)c(F)c1 235001734 JTLBFZPIJKVWKK-CQSZACIVSA-N 473.482 5.716 50 10 JKGE Cc1cccc([C@H](Br)c2cc(Br)cc3c2OCC3)c1Br 236009902 ZWEZWUNHVKHKIS-HNNXBMFYSA-N 460.991 5.939 50 10 JKGE ClCc1cc(Br)c(OCc2c(Cl)cccc2Cl)c(Br)c1 236020449 NLDBOBCMPWKDKO-UHFFFAOYSA-N 459.392 6.836 50 10 JKGE Clc1cc(Oc2ccc(CBr)cc2Br)c(Cl)cc1Br 236061443 CCZIBYGLUXFOBB-UHFFFAOYSA-N 489.816 7.206 50 10 JKGE Fc1cc(F)c([C@@H](Cl)c2cc(Br)ccc2I)cc1F 236239476 CSDDPFFJPMDOKK-CYBMUJFWSA-N 461.446 5.799 50 10 JKGE Cc1ccc(COc2ccc(C=NNC(=O)c3ccc(OCc4ccc(C)cc4)cc3)cc2)cc1 254292923 KDDBBKHEEWWJRG-UHFFFAOYSA-N 464.565 6.225 50 10 JKGE O=C(NN=Cc1ccccc1OC(F)F)c1cc(-c2ccc(-c3ccccc3)cc2)nc2ccccc12 254486120 MHZIMIQCSBTUSX-UHFFFAOYSA-N 493.513 6.934 50 10 JKGE C[C@H]1[C@@H](n2c(CCCl)nc3cc(I)c(F)cc32)CCN1Cc1ccccc1 312304781 OJHVOLWPCAEFFS-LIRRHRJNSA-N 497.783 5.397 50 10 JKGE COc1ccc(Br)cc1[C@@H](Br)c1cc(Cl)c(Br)cc1F 380270548 XFBVJSREQJZHPI-AWEZNQCLSA-N 487.388 6.497 50 10 JKGE N#Cc1cc(Br)ccc1COc1c(Br)cccc1CBr 380365301 JWQKPYXSQPSAIK-UHFFFAOYSA-N 459.963 5.557 50 10 JKGE N#Cc1cc(Br)ccc1COc1ccc(CBr)cc1Br 383850676 WASZDTKECYAPQT-UHFFFAOYSA-N 459.963 5.557 50 10 JKGE Cc1cc(Br)c([C@@H](Br)CC(C2CC2)C2CC2)cc1Br 400836034 BMPDMXPKTSZMDD-INIZCTEOSA-N 451.040 6.782 50 10 JKGE CC(C)(C)[Si](C)(C)OCCc1ccccc1[C@@H]1CCCN(S(=O)(=O)c2ccccc2)C1 616608912 HIBDTTCIDHFRFH-JOCHJYFZSA-N 459.728 5.819 50 10 JKGE COc1cc2c(cc1F)nc(CCl)n2CC1(N(Cc2ccccc2)Cc2ccccc2)COC1 705597956 AELZDQAHUMJAIB-UHFFFAOYSA-N 479.983 5.394 50 10 JKGE Brc1cc([C@H](Br)[C@@H]2CCC[C@H]3CCCC[C@H]32)sc1Br 714453767 AIRNAEUDPKGUPS-ZHSDAYTOSA-N 471.096 7.316 50 10 JKGE Cc1c(Cl)cccc1-n1c(C)cc(/C=C(\C#N)C(=O)Nc2cccc(Cl)c2Cl)c1C 1083931810 DIZCJAKNPPZUNS-GZTJUZNOSA-N 458.776 6.908 50 10 JKGE COc1ccc(C=NNC(=O)c2ccc(-n3c(C)ccc3-c3ccccc3)cc2)c(OC)c1OC 1083989851 RTKLZQJQSGLMQC-UHFFFAOYSA-N 469.541 5.242 50 10 JKGE COC(=O)c1ccccc1-n1c(C)cc(/C=C(\C#N)C(=O)Nc2cccc(Cl)c2Cl)c1C 1084209217 UQBNZFPOTMLQTL-SFQUDFHCSA-N 468.340 5.733 50 10 JKGE Cc1cccc(C[C@@H]2S/C(=C(\C#N)C(=O)N[C@H](C)c3ccccc3)N(c3ccc(C)c(C)c3)C2=O)c1 1614653280 MISWIATZKHXNDG-LKHIEZPYSA-N 495.648 5.916 50 10 JKGE Cc1ccc(NC(=O)c2oc3c(c2C)C(=NNC(=O)c2ccc(Cl)c([N+](=O)[O-])c2)CCC3)cc1C 1772747624 KCXWMVMPCYPYKG-UHFFFAOYSA-N 494.935 5.489 50 10 JKGE CCc1nn(Cc2ccccc2F)c2c1[C@H](c1c(OC)ccc3ccccc13)C(C#N)=C(N)O2 1865688256 NYNNAXGJFXBXTE-DEOSSOPVSA-N 454.505 5.013 50 10 JKGE CCCc1nn(Cc2ccc(Cl)cc2)c2c1[C@H](c1ccc(OCC)c(OCC)c1)C(C#N)=C(N)O2 1865690017 ZBFKDGWHFSBYNE-XMMPIXPASA-N 493.007 5.553 50 10 JKGE COc1cc([C@H]2C(C#N)=C(N)Oc3c2c(C)nn3-c2ccc(Cl)c(Cl)c2)ccc1OC(C)C 1865696041 JUZPZLJDLVROAX-QFIPXVFZSA-N 485.371 5.502 50 10 JKGE CCc1ccc([C@H]2C(C#N)=C(N)Oc3c2c(CC)nn3Cc2ccc(Cl)c(Cl)c2)cc1 1865707366 VJXVGUHXZCIRMT-NRFANRHFSA-N 453.373 5.581 50 10 JKGE CCc1nn(Cc2c(F)cccc2Cl)c2c1[C@@H](c1ccc(C(F)(F)F)cc1)C(C#N)=C(N)O2 1865711070 OXYSCBGZGLOYJA-IBGZPJMESA-N 476.861 5.523 50 10 JKGE CCOC(=O)c1cc(-c2ccccc2)sc1NC(=O)/C(C#N)=C/c1ccc(OC)c(OC)c1 1866130210 HULIPFKVJMHLAZ-LDADJPATSA-N 462.527 5.155 50 10 JKGE CCC[C@H](NC(=O)C[C@H](c1ccc(F)c(C)c1)C(C)C)C(=O)Nc1ccc(SC#N)cc1 1866766668 OEPNHFOUSPZTJI-GMAHTHKFSA-N 455.599 5.761 50 10 JKGE C[C@H](NC(=O)C[C@H](c1ccccc1)c1ccc(F)c(F)c1)C(=O)Nc1ccc(SC#N)cc1 1867117357 PMJGUDLACBXIHE-HRAATJIYSA-N 465.525 5.203 50 10 JKGE CC(C)c1nc(Nc2ccc(SC#N)cc2)cc(N2CCC(Cc3ccc(C(C)(C)C)cc3)CC2)n1 1868231284 BHRMTLUVXLMECR-UHFFFAOYSA-N 499.728 7.673 50 10 JKGE COCCc1nc(Nc2ccc(SC#N)cc2)cc(N2CCC[C@@H]2c2ccc(C(C)(C)C)cc2)n1 1868253431 HGDMJKYACGATFP-XMMPIXPASA-N 487.673 6.621 50 10 JKGE CCOc1ccc(/C=C(C(/O)=C(\C#N)c2nc(-c3ccc(F)cc3)cs2)\c2ccccc2)cc1 1872752960 BEQHOBXXOMOHMF-GEHATIBWSA-N 468.553 7.381 50 10 JKGE COc1ccc(-c2csc(/C(C#N)=C(\O)c3cc([N+](=O)[O-])c(C)c([N+](=O)[O-])c3)n2)c(C)c1C 1872754315 NAHQIUBEOHVUPY-PGMHBOJBSA-N 466.475 5.510 50 10 JKGE CCc1cccc(C)c1N1C[C@@H](/C(O)=C(\C#N)c2nc(-c3ccc(OC)cc3OC)cs2)CC1=O 1872755412 LVIZUODANTUZLN-LECRTAGSSA-N 489.597 5.544 50 10 JKGE CC[C@H](C)[C@H](/C(O)=C(\C#N)c1nc(-c2ccc(C)c(C)c2)cs1)N1C(=O)c2ccccc2C1=O 1872756448 KGVFROGIXIOLBB-ANXKQHDUSA-N 471.582 5.931 50 10 JKGE COc1ccc(OC)c(/C=C/C(O)=C(\C#N)c2nc(-c3ccc(OC)c(Cl)c3)cs2)c1 1872757688 RGZINGIWHLETCT-SRJXWNLSSA-N 454.935 5.995 50 10 JKGE CCCOc1ccc(-c2csc(/C(C#N)=C/c3cc(Br)c(O)c(OC)c3)n2)cc1 1872790993 POKRPDRAMYYFQJ-CXUHLZMHSA-N 471.376 6.140 50 10 JKGE CCOc1cc(/C=C(\C#N)c2nc(-c3ccc(C)cc3)cs2)ccc1OCC(=O)N(CC)CC 1872791056 UGQBVMUNTMQBMT-HYARGMPZSA-N 475.614 5.829 50 10 JKGE CCCOc1ccc(-c2csc(/C(C#N)=C(\O)c3ccc(-c4ccccc4)cc3)n2)cc1OCCC 1872818241 SYUXPXLROGCPEL-GNVQSUKOSA-N 496.632 8.005 50 10 JKGE Fc1cc(Br)c2nc(CCCl)n(C[C@H]3CCN(Cc4ccccc4)C3)c2c1 1912687735 QKBNJJIKVYTKSF-INIZCTEOSA-N 450.783 5.241 50 10 JKGE Cc1cc([C@H](Br)c2cc(Br)sc2Br)oc1Br 1917588765 VJDAIGQATJBWFD-MRVPVSSYSA-N 493.840 6.421 50 10 JKGE Cc1c(Br)sc([C@@H](Br)C(C)(C)C2CCCCC2)c1Br 1922933147 SKAIJAJPETVXKR-CYBMUJFWSA-N 473.112 7.624 50 10 JKGE Cc1c(Br)sc([C@H](Br)C2CC3(CCCC3)C2)c1Br 1922935549 QVNWXQPFONNEKV-LLVKDONJSA-N 457.069 6.988 50 10 JKGE Clc1c(Br)sc(Br)c1[C@@H](Br)c1cnsc1 1923061642 LRAZVJDRNLCOQG-YFKPBYRVSA-N 452.418 5.867 50 10 JKGE Clc1ccc([C@@H](Cl)c2c(Br)sc(Br)c2Br)o1 1924579742 JPUSNPRJJYVKIT-SSDOTTSWSA-N 469.807 6.610 50 10 JKGE FC(F)Oc1ccc([C@H](Br)c2c(Cl)sc(Br)c2Cl)cc1 1925600792 SZQQJXUDYDTECZ-QMMMGPOBSA-N 466.956 6.903 50 10 JKGE CC1(C)CC[C@H](Br)[C@@H](CNC(=O)c2cc(Br)sc2Br)C1 1927049838 JQNDZHWUPFBONH-SCZZXKLOSA-N 488.083 5.593 50 10 JKGE CCCc1ccc([C@H](Br)c2cc(Br)sc2Br)s1 1940267360 JMDOBXNIUOIEDR-LLVKDONJSA-N 459.066 6.771 50 10 JKGE FC1(F)CC2(C[C@H]2[C@@H](Br)c2cc(Br)sc2Br)C1 2015442608 HKCLSNAUYRTINZ-XPUUQOCRSA-N 450.968 6.145 50 10 JKGE Cc1nn(C)c([C@H](Br)c2cc(Br)c(Cl)s2)c1Br 2017391786 YNFDXGNURVUZDN-MRVPVSSYSA-N 463.420 5.453 50 10 JKGE Fc1ccc([C@@H](Br)c2csc(Br)c2Br)c(F)c1Cl 2032953297 GWNCLQUSIXROGN-SSDOTTSWSA-N 481.381 6.689 50 10 JKGE CN(c1ccc(CBr)cc1Br)[C@H]1CC(C)(C)[C@@H]1OCc1ccccc1 2038794374 KPPQQSMUGBLAFR-VQTJNVASSA-N 467.245 6.164 50 10 JKGE Brc1cc([C@H](Br)[C@H]2CCn3nccc3C2)sc1Br 2046628792 VNMGBMUMKRXHRP-WRWORJQWSA-N 455.013 5.168 50 10 JKGE Cn1nc([C@@H](Br)c2c(Cl)sc(Cl)c2Cl)c(Br)c1Cl 2048155828 MRAIPSMIKOWWIO-VKHMYHEASA-N 473.832 6.342 50 10 JKGE FC(F)c1cccc([C@H](Br)c2sc(Br)cc2Br)c1 2052468153 ZNYNRSLNUMQQLK-JTQLQIEISA-N 460.963 6.695 50 10 JKGE CC1=NN(c2c(Cl)cc(Cl)cc2Cl)C(=O)/C1=C/NNC(=O)C12C[C@H]3C[C@@H](C1)C[C@@H](C2)C3 2059012418 SYXYMQDIMSKORH-FMQFKLHFSA-N 481.811 5.090 50 10 JKGE Fc1cc(Br)c([C@@H](Cl)c2csc(Br)c2Br)c(F)c1F 2093948131 TZGMUTZTKUGOKS-QMMMGPOBSA-N 499.371 6.781 50 10 JKGE C[C@H](c1cccs1)N(Cc1ccccc1)S(=O)(=O)c1ccc(CCBr)s1 2123243997 QLXDPXRVAFLOBX-OAHLLOKOSA-N 470.479 5.699 50 10 JKGE COC[C@@H]1CC[C@H]([C@H](Br)c2cc(Br)c(C)cc2Br)C1 2125331160 XVFVRTPSJWISBX-ZETOZRRWSA-N 455.028 6.019 50 10 JKGE Cc1c(Br)ccc([C@@H](Br)[C@H]2CCCCC23CC3)c1Br 2138875745 IUYHJJLJUVBKJH-IUODEOHRSA-N 451.040 6.926 50 10 JKGE CCN(C[C@@](C)(CI)OC1CC2(C1)CC1(CCC1)C2)C(=O)OC(C)(C)C 2140249645 IJRBDTKZTPLWLQ-LJQANCHMSA-N 477.427 5.567 50 10 JKGE Cc1cc(CBr)ccc1OCc1ccc(I)c(Cl)c1 2142950162 PFQPUDZQOUQMCO-UHFFFAOYSA-N 451.529 5.727 50 10 JKGE BrCc1c(Br)cccc1N1CCCc2ccc(Br)cc21 2145162323 RHBLYOWEZVNLQI-UHFFFAOYSA-N 460.007 6.191 50 10 JKGE COc1cc(Br)c(C)cc1[C@H](Br)Cc1ccc(Br)cc1 2145961787 JMKWTOTVJWMECG-OAHLLOKOSA-N 463.007 6.207 50 10 JKGE Cn1c(=O)oc2cc([C@H](Br)c3csc(Br)c3Br)ccc21 2150342236 STZIQEDYIBOMKC-JTQLQIEISA-N 481.991 5.202 50 10 JKGE CCOc1ccc([C@H](Br)c2c(Br)cnn2CC)c(Br)c1 2150669214 UDJFYZIBYYLYRC-ZDUSSCGKSA-N 466.999 5.311 50 10 JKGE CN(CCN(Cc1ccccc1)Cc1ccc(-c2nc(CCl)cs2)cc1F)Cc1ccccc1 2152223017 KCNSRZCSFRBWFM-UHFFFAOYSA-N 494.079 6.822 50 10 JKGE FC1(F)[C@H]2C[C@H](COc3c(Br)cc(Br)cc3CBr)C[C@H]21 2164311953 DTPAMEQXMDIGRH-IJRMOIDVSA-N 474.965 5.777 50 10 JKGE Fc1cccc(C(CBr)(CBr)Cc2snc(Cl)c2Cl)c1 2167231351 KNFREVCKXPJDTE-UHFFFAOYSA-N 462.009 5.859 50 10 JKGE FC(F)(F)c1cc(-n2c(Cl)nc(Cl)c2CBr)ccc1Br 2175470991 WFIAGKJJIPVONU-UHFFFAOYSA-N 452.883 5.855 50 10 JKGE Cc1cc(Br)c(C)c([C@H](Br)[C@@]23COC[C@H]2C3(F)F)c1Br 2201074262 ANHFWMQAHHWWLY-JIMOISOXSA-N 474.965 5.546 50 10 JKGE Cc1cc(Br)c(C)c([C@H](Br)[C@@H]2CCC[C@@H](C)CC2)c1Br 2201076481 YKTKYIBSAMJPGH-OMXAPOSASA-N 467.083 7.481 50 10 JKGE Cc1cc(Br)c(C)c([C@@H](Br)C[C@@H]2CCC23CCC3)c1Br 2201080569 YQEPRQRZZJHCLI-JSGCOSHPSA-N 465.067 7.235 50 10 JKGE Cn1nc([C@H](Cl)c2c(Br)cc(F)c(Cl)c2F)c(Br)c1Cl 2201608208 LTEXXBNATYTWKD-MRVPVSSYSA-N 469.338 5.858 50 10 JKGE COc1c(Br)cc(C)cc1[C@@H](Cl)Cc1ccccc1I 2203823486 JYPWSVOBZVUSOD-AWEZNQCLSA-N 465.556 5.893 50 10 JKGE Fc1ccc([C@@H](Br)c2ccc(-c3cccs3)s2)c(I)c1 2205864724 ZPTVLOHNHFWGRI-OAHLLOKOSA-N 479.177 6.705 50 10 JKGE CC[C@H]1CN(C(=O)OCc2ccccc2)[C@H](CC)CN1CCCCCI 2211184601 FAGVDONSVHTIBF-VQTJNVASSA-N 472.411 5.103 50 10 JKGE CCn1cc([C@H](Br)c2c(C)sc(Br)c2C)nc1Br 2218806870 ZAPFHWMUBPRWPJ-JTQLQIEISA-N 457.029 5.591 50 10 JKGE Fc1cc(F)c([C@H](Br)c2ncsc2Br)c(F)c1Br 2220508882 FDJXTKLMYLJNRF-ZETCQYMHSA-N 465.914 5.570 50 10 JKGE Cn1nc([C@H](Cl)c2c(Br)cc(Cl)c(Cl)c2Cl)cc1Br 2224317946 SFRXQHWULGQCOI-JTQLQIEISA-N 467.803 6.234 50 10 JKGE CCOCc1cc(Br)c([C@H](Br)c2ccccc2Br)s1 2224783879 UYYBERLOOOMEKE-CYBMUJFWSA-N 469.036 6.294 50 10 JKGE Fc1cc(Br)c(Br)cc1[C@H](Br)c1ccc(Cl)c(Cl)c1 2225635522 VPMWVEBLSDFCEX-CYBMUJFWSA-N 491.807 7.142 50 10 JKGE CC1(C)CCC[C@H]([C@H](Br)c2cc(Br)c(Br)cc2F)O1 2226862308 CVFCBWIVUDEISU-CHWSQXEVSA-N 458.991 6.134 50 10 JKGE Cc1cc(Br)c([C@H](Br)[C@H](C)CC(C)(C)C)c(C)c1Br 2227360186 PQANPRVPJJEPIW-MEBBXXQBSA-N 455.072 7.337 50 10 JKGE Cc1ccc([C@@H](Cl)c2c(Br)cc(C)c(Cl)c2C)cc1I 2232838757 LKNRMEPXRSUHJT-MRXNPFEDSA-N 484.002 6.961 50 10 JKGE Fc1cc(Br)c(Br)cc1[C@@H](Br)[C@@H]1CCCCC12CCC2 2233974526 FTDVEGLSWQNSOI-XHDPSFHLSA-N 469.030 7.147 50 10 JKGE COc1ccc([C@@H](Br)c2cc(Br)c(Br)cc2F)cc1F 2233974725 GZEWMBSGPCKOMV-CQSZACIVSA-N 470.933 5.983 50 10 JKGE Cc1cc(Br)c([C@H](Br)C2CC(C(C)(C)C)C2)c(C)c1Br 2235602291 YQAAUGSOMKSCJN-ZEPSKSRBSA-N 467.083 7.337 50 10 JKGE COc1ccc([C@@H](Br)Cc2ccc(Br)cc2Cl)c(Br)c1 2237451558 SZFCSNJNXGQAAU-ZDUSSCGKSA-N 483.425 6.552 50 10 JKGE Cl[C@@H](c1c(Br)sc(Br)c1Br)[C@H]1CCC12CCC2 2247326281 JNPUUKYRJVKDOA-HZGVNTEJSA-N 463.460 6.896 50 10 JKGE C[C@H](C[C@@H](Br)c1c(F)cc(Br)c(F)c1Br)C(F)F 2260065128 GLJBPIPJEJUQPK-RFZPGFLSSA-N 456.897 6.217 50 10 JKGE Fc1cc(Br)c(Br)cc1[C@H](Br)C[C@H]1CCCC12CC2 2266633151 XOIDSZWBJCGUSJ-MWLCHTKSSA-N 455.003 6.757 50 10 JKGE COc1ccc([C@@H](Br)c2ccc(Cl)c(I)c2)c(F)c1 2268278361 OMERXHYLNGROSX-AWEZNQCLSA-N 455.492 5.577 50 10 JKGE COc1ccc([C@@H](Cl)c2cccc(C)c2Br)cc1I 2269538632 BPJDFIAZEKFDET-OAHLLOKOSA-N 451.529 5.699 50 10 JKGE Brc1cc(Br)cc(C[C@@H](Br)c2cc3sccc3s2)c1 2277887448 DXHKKEBFQLFIPQ-LLVKDONJSA-N 481.072 7.167 50 10 JKGE COc1c(Br)cc(Cl)c(C)c1[C@H](Br)c1csc(Br)c1 2277900133 FTMZAHHDJFCVHW-GFCCVEGCSA-N 489.454 6.728 50 10 JKGE Brc1cc(Br)cc(C[C@H](Br)C2CCC3(CC2)CC3)c1 2277964675 GTJXXPCEIOHQQY-HNNXBMFYSA-N 451.040 6.488 50 10 JKGE CC(C)c1cc(Br)cc([C@@H](Br)c2ccc(F)c(Br)c2)c1 2280677869 XHIMMBHJIKXAJD-INIZCTEOSA-N 464.998 6.958 50 10 JKGE COc1cc(Cl)c([C@H](Cl)c2cccc(Cl)c2Br)cc1Br 2283192182 UKJMQHDWXFXJQJ-CQSZACIVSA-N 459.392 6.855 50 10 JKGE COc1ccc([C@@H](Br)c2cc(Br)c(F)cc2Cl)c(Br)c1 2285986152 QWZWWPDJDBLOBE-CQSZACIVSA-N 487.388 6.497 50 10 JKGE COc1cccc(C=C(C#N)C(=O)Nc2cccc(C)c2C)c1OCc1ccc([N+](=O)[O-])cc1 2294040549 QSMAKHVOKHQCNO-UHFFFAOYSA-N 457.486 5.345 50 10 JKGE COc1c(Br)cc(Cl)cc1[C@@H](Br)c1c(Br)c(C)nn1C 2295261883 CFYHXIIREYYVCS-LLVKDONJSA-N 487.417 5.400 50 10 JKGE CN(Cc1c(Br)cccc1Br)[C@@H](CBr)c1ccccc1 2296478111 QOBIWHLGWMUBQQ-INIZCTEOSA-N 462.023 5.780 50 10 JKGE Cc1cccc(NC(=O)C(C#N)=C2S[C@H](Cc3cccc(Cl)c3)C(=O)N2c2ccccc2)c1C 2296506925 LYRKNPHBYOWECM-XMMPIXPASA-N 488.012 6.022 50 10 JKGE Cc1cc(Oc2nc3c(C)cccn3c(=O)c2C=C(C#N)C(=O)NC2CCCCC2)ccc1Cl 2296846334 BTLMTFWLEYSTLG-UHFFFAOYSA-N 476.964 5.113 50 10 JKGE N#CC(=Cc1cn(Cc2ccc(Cl)c(Cl)c2)nc1-c1ccccc1)c1nc2ccccc2[nH]1 2297326824 UCHOVNUEQPGDJA-UHFFFAOYSA-N 470.363 6.846 50 10 JKGE C[C@@H]1C[C@H]2C(=CCCC2(C)C)C[C@@H]1C=NNC(=O)CNC(=O)C(c1ccccc1)c1ccccc1 2297672242 VBYMCZWEOZFNSW-QGDZQMKYSA-N 471.645 5.445 50 10 JKGE CC(F)(F)[C@@H]1C[C@H]1[C@H](Br)c1ccc(OCc2ccccc2)cc1Br 2299489958 UTDKOTAGBYAOBA-JFIYKMOQSA-N 460.156 6.755 50 10 JKGE FC(F)COCC[C@H](Br)c1cc(Br)ccc1OCc1ccccc1 2299493235 KRAHGUYXRYNKQM-INIZCTEOSA-N 464.144 6.136 50 10 JKGE Brc1cc(OCc2ccccc2)ccc1[C@H](Br)CC1C[C@@H]2C[C@H]2C1 2299507805 HABXAFJLIZLCFW-MBOZVWFJSA-N 450.214 6.900 50 10 JKGE C[C@@H](C(F)F)[C@@H](Br)c1c(Cl)cc(Br)c(F)c1Br 2300174363 PMCOFRHHSXLIJC-WVBDSBKLSA-N 459.325 6.341 50 10 JKGE COc1cc(C=C(C#N)c2ccc(Cl)cc2)cc(Br)c1OCc1ccccc1Cl 2313521455 PHGNQJQXLLFSKM-UHFFFAOYSA-N 489.196 7.408 50 10 JKGE N#CC(=Cc1ccccc1OCc1ccc2ccccc2c1)C(=O)N1CCN(c2ccccc2)CC1 2313568165 SKTSSZYHXPMTKZ-UHFFFAOYSA-N 473.576 5.675 50 10 JKGE CCOc1c(Cl)cc(C=C(C#N)C(=O)Nc2cccc(Cl)c2Cl)cc1Br 2313570861 HXQFMWCHUGFJMI-UHFFFAOYSA-N 474.569 6.354 50 10 JKGE C[C@H](NC(=O)C(C#N)=Cc1ccc(OCc2ccc(Cl)c(Cl)c2)cc1)c1ccccc1 2313676873 SGDRPIIQSFHMRU-KRWDZBQOSA-N 451.353 6.357 50 10 JKGE CCOc1cc(C=C(C#N)C(=O)NC[C@@H]2CCCO2)ccc1OCc1ccc(Cl)cc1Cl 2313681081 FOKAXVFYAZTYJM-FQEVSTJZSA-N 475.372 5.173 50 10 JKGE CC(C)([C@@H]1CCCO1)[C@H](Br)c1cc(Br)ccc1OCc1ccccc1 2314455458 OZMDJZTZXOMSKA-VQTJNVASSA-N 468.229 6.669 50 10 JKGE CNC(=O)C(C#N)=C1S[C@H](Cc2ccc(Cl)c(Cl)c2)C(=O)N1c1ccc(C(C)C)cc1 2314593964 WOOQVHGBRXBZEM-HXUWFJFHSA-N 474.413 5.289 50 10 JKGE Fc1c(Br)cc(Cl)c([C@@H](Br)CCC2CCC2)c1Br 2315442142 PQZOKRMSYNMODT-QMMMGPOBSA-N 463.410 7.020 50 10 JKGE COc1ccc([C@@H](Br)c2sc(Cl)cc2I)cc1C 2316776330 BJAZNZMPVPGBGE-GFCCVEGCSA-N 457.558 5.807 50 10 JKGE ICC1(OCc2cccc(I)c2)CCCCCC1 2319029853 KRQOQYCQWXLTBR-UHFFFAOYSA-N 470.132 5.336 50 10 JKGE BrCc1ccc(OCc2cccc(I)c2)c(Br)c1 2319172906 CCEJTMJUEDMFMG-UHFFFAOYSA-N 481.953 5.528 50 10 JKGE Cc1c(Br)sc([C@H](Br)C[C@H]2CC[C@@H]2C2CC2)c1Br 2319490105 STNCUMRWNNZPCK-GMTAPVOTSA-N 457.069 6.844 50 10 JKGE CCOC(=O)c1c(-c2ccc(C)cc2)csc1NC(=O)C(C#N)=Cc1ccc(OCCOC)cc1 2331123479 CZINRUAXRQWDPP-UHFFFAOYSA-N 490.581 5.471 50 10 JKGE N#CC(=C(O)C=Cc1ccc([N+](=O)[O-])cc1)c1nc(-c2ccc(Oc3ccccc3)cc2)cs1 2331359030 SOGUIDYDWVOMLQ-UHFFFAOYSA-N 467.506 7.017 50 10 JKGE CCOc1ccc(OCC)c(-c2csc(C(C#N)=C(O)CCc3nc4ccccc4[nH]c3=O)n2)c1 2331376709 KQKIRGUSVBMTQW-UHFFFAOYSA-N 488.569 5.269 50 10 JKGE CCCCOc1ccc(C(O)=C(C#N)c2nc(-c3ccc(OC)cc3OC)cs2)cc1OCC 2331386861 VEJKWTMJLVTVGM-UHFFFAOYSA-N 480.586 6.355 50 10 JKGE CCCOc1ccc(CC(O)=C(C#N)c2nc(-c3ccc(OC)c(OC)c3OC)cs2)cc1 2331411732 GRNZMAZWBCEATB-UHFFFAOYSA-N 466.559 5.660 50 10 JKGE N#CC(=Cc1c(OCc2ccccc2)ccc2ccccc12)c1nc(-c2ccc([N+](=O)[O-])cc2)cs1 2331434143 BYTHHQCFUJYWLH-UHFFFAOYSA-N 489.556 7.515 50 10 JKGE CCCCCCCOc1ccc(-c2csc(C(C#N)=Cc3cccc4ccccc34)n2)cc1 2331459654 GKGPQHIHNIQICE-UHFFFAOYSA-N 452.623 8.377 50 10 JKGE Fc1cccc(Cl)c1C[C@H](Br)c1cc(Br)ccc1OCc1ccccc1 2336046894 IALOCDRVUSHUNC-SFHVURJKSA-N 498.617 7.499 50 10 JKGE Cc1cc(Br)c(F)c([C@@H](Cl)c2cc(Br)ccc2OCc2ccccc2)c1 2336053253 ICGLYMSGUPUGKU-FQEVSTJZSA-N 498.617 7.566 50 10 JKGE C[C@H](CC(F)(F)F)[C@@H](Br)c1c(Cl)cc(Br)c(F)c1Br 2337093097 AMTONXXIQSNLKL-SPGJFGJESA-N 491.342 7.029 50 10 JKGE Clc1ccc([C@@H](CBr)Cc2ccc(Cl)c(I)c2)cc1 2337226435 YQFGNRUXADZNCE-GFCCVEGCSA-N 469.975 6.319 50 10 JKGE CCN[C@@H](c1c(C)cc(Br)c(F)c1Br)[C@H]1C[C@@H](Br)C1 2339647624 CKCWDYZDEQVTPO-TVLCNXBWSA-N 458.007 5.483 50 10 JKGE Cc1cc(Br)c(F)c(Br)c1[C@H](Br)[C@@H]1CC[C@H]2C[C@H]2C1 2339650776 JDELXUATKDSLHR-MPXOCVNLSA-N 455.003 6.531 50 10 JKGE Cc1cc(Br)c(F)c(Br)c1[C@H](Br)C[C@H]1C[C@@H]1C1CC1 2339678831 JDWGEKGXUUWEHM-GMTAPVOTSA-N 455.003 6.531 50 10 JKGE CCCCc1ccc([C@H](Br)c2ccc(Cl)cc2I)s1 2340067187 ZCGGXQDKXZUUNK-OAHLLOKOSA-N 469.613 6.833 50 10 JKGE CC[C@@H]1C[C@@H]1C[C@H](Br)c1c(C)cc(Br)c(OC)c1Br 2343387936 MKKMTTDJJJGOPZ-MXWKQRLJSA-N 455.028 6.401 50 10 JKGE COc1cc(Br)c([C@H](Br)c2csc(C)c2Br)cc1C 2343564821 QECLBVCMGZGUQH-AWEZNQCLSA-N 469.036 6.383 50 10 JKGE C[C@@H](c1ccncc1F)[C@@H](Br)c1cc(Br)ccc1Br 2344688533 DEYLYCVHOOQWSH-RMLUDKJBSA-N 451.959 5.985 50 10 JKGE ClCC1CCC(CNCc2ccc(I)c(Br)c2)CC1 2349833773 IUPYJCRESCYDMU-UHFFFAOYSA-N 456.593 5.189 50 10 JKGE Fc1c(Br)cc(Cl)c([C@@H](Br)[C@H]2CCCCC23CC3)c1Br 2362229934 WJYOUJBXVLEIGE-PELKAZGASA-N 489.448 7.411 50 10 JKGE CC1CCC([C@H](CBr)NCc2ccc(Cl)c(I)c2)CC1 2379751500 BXLCGSACCIZHGS-TZDAIYRESA-N 470.620 5.624 50 10 JKGE CC[C@H](Nc1ccc(Br)cc1)C(=O)N/N=C/c1cccc(Oc2ccccc2)c1 1947164 SVPHIYXDVBPJSQ-LWROZRRASA-N 452.352 5.582 50 10 JKGE COc1ccc([C@@H]2C(C#N)=C3N=C(N)c4ccccc4N3C3=C2C(=O)C[C@H](c2ccccc2)C3)cc1 3654384 TZPBTYBMBLUITM-NFQMXDRXSA-N 472.548 5.154 50 10 JKGE COc1ccc(C(=O)Oc2ccc(/C=C(/C#N)C(=O)Nc3ccc(Cl)cc3[N+](=O)[O-])cc2)cc1 6924854 MTAIQJXYGJJJKY-ATVHPVEESA-N 477.860 5.022 50 10 JKGE CCCCC/C(=N\NC(=O)COc1ccc(C(C)(C)C)cc1Br)c1ccccc1 12403471 ZFGSOGKILZUPPZ-YYADALCUSA-N 459.428 6.226 50 10 JKGE COc1ccc(C(=O)NCCCCCC(=O)N/N=C/[C@@H]2CC=C(CCC=C(C)C)C[C@H]2C)cc1OC 20073036 KIWFYFBGGQHYIT-AULMJLQRSA-N 497.680 5.815 50 10 JKGE COc1cccc(COc2ccccc2/C=N/NC(=O)c2ccccc2OCc2ccccc2)c1 20274321 BZUDLQBEOYQMBT-NDZAJKAJSA-N 466.537 5.617 50 10 JKGE N#C/C(=C\c1ccc(-c2ccc(Br)cc2)o1)c1nc(-c2ccc3ccccc3c2)cs1 28357461 ILPABOIUSKFROH-KGENOOAVSA-N 483.390 8.050 50 10 JKGE COc1cc(/C=C(/C#N)c2ccccc2OC)ccc1OC(=O)c1cc2ccccc2oc1=O 31902008 FABNZFZVTGETJC-UYRXBGFRSA-N 453.450 5.094 50 10 JKGE N#C/C(=C/c1cccc(OC(=O)/C=C/c2ccc(OCc3ccccc3)cc2)c1)c1ccccc1 31902628 MQFAZPRMPIVFPE-FYBVLACUSA-N 457.529 6.949 50 10 JKGE O=C(N/N=C/C1=C(N2CCOCC2)/C(=C\c2ccccc2)CC1)Nc1ccc(Cl)c(Cl)c1 32690887 LMIDQZHRGVBXAJ-DPVRZMGRSA-N 471.388 5.564 50 10 JKGE CCCCCCOc1ccc(/C=C(/C#N)C(=O)Nc2ncc(Cc3ccc(F)cc3)s2)cc1OC 33735806 BORDKPOLLQNBFB-STZFKDTASA-N 493.604 6.386 50 10 JKGE Cc1cccc(C)c1OCCOc1ccc(/C=C(/C#N)C(=O)NCc2ccco2)cc1Cl 33777806 SJEHZSOEXRINEI-MOSHPQCFSA-N 450.922 5.231 50 10 JKGE CCOc1cc(/C=C2/C(=O)N(C(C)C)C(=O)C(C#N)=C2C)ccc1OCc1ccc(Cl)cc1Cl 38604621 ZSJFLQWEOAMEHI-KEBDBYFISA-N 499.394 5.972 50 10 JKGE CCOC(=O)c1ccc(NC(=O)/C(C#N)=C/c2ccc(-c3cccc(C(F)(F)F)c3)o2)cc1 39884902 KSNIEJDMDTWXQE-GHRIWEEISA-N 454.404 5.688 50 10 JKGE COc1cc(/C=C(\C#N)c2ccc(Cl)cc2)ccc1OC(=O)COc1cccc(Br)c1 40876500 DWJBBUDPSBJYAC-WOJGMQOQSA-N 498.760 6.160 50 10 JKGE Cc1cc(/C=N/NC(=O)c2cc3cc(Br)ccc3o2)c(C)n1-c1cccc(Cl)c1 59304418 TUHRXMZQGIAGFJ-BRJLIKDPSA-N 470.754 6.020 50 10 JKGE C=CCc1cc(/C=N/NC(=O)c2ccc(-n3c(C)ccc3-c3ccccc3)cc2)cc(OCC)c1OC 59680207 ALVISXOELSTREL-RUMWWMSVSA-N 493.607 6.352 50 10 JKGE BrC[C@H](Cc1ccccc1Br)Cc1sccc1Br 97186020 NGYGXXFNMWAXOU-SNVBAGLBSA-N 453.037 6.069 50 10 JKGE CCCCCCCc1ccc(C(=O)Oc2ccc(/C=N/NC(=O)c3ccc(F)cc3)c(O)c2)cc1 100165749 QGOIVGPZIZGOHI-NDZAJKAJSA-N 476.548 6.027 50 10 JKGE CC1=C(C#N)C(=O)N(Cc2ccc(F)cc2)C(=O)/C1=C/c1ccc(-c2ccc(Cl)cc2Cl)o1 101340583 ZLCCZNMMMUANIP-RGVLZGJSSA-N 481.310 6.185 50 10 JKGE CCOc1cc(/C=C(/C#N)C(=O)Nc2nc3ccccc3s2)ccc1OCCOc1ccccc1 102444088 QYAQRJKMBGJJAF-SILNSSARSA-N 485.565 5.698 50 10 JKGE CCOC(=O)c1c(N/C=C(/C#N)c2nc(-c3cccs3)cs2)sc2c1CC[C@@H](C(C)(C)C)C2 102924833 PYTWTARSTCUOFC-UGEDRFTOSA-N 497.711 7.237 50 10 JKGE O=C1CCCc2cc([C@H](Br)c3cccc(I)c3)ccc2N1 109870354 ZQTBVPAMIDEENV-QGZVFWFLSA-N 456.121 5.050 50 10 JKGE Fc1ccc(Br)cc1[C@H](Br)c1cc(Cl)c(Br)s1 127574275 KHBADHWZXNMRSN-JTQLQIEISA-N 463.391 6.550 50 10 JKGE Brc1cc([C@@H](Br)c2ccc3c(c2)COC3)sc1Br 128203230 HYPGUNGNKNXEKZ-LBPRGKRZSA-N 452.993 5.788 50 10 JKGE Cc1cc(Br)c([C@@H](Br)c2ccc(S(C)(=O)=O)cc2)cc1Br 128738971 RIEVPEHVICVYER-HNNXBMFYSA-N 497.046 5.408 50 10 JKGE Cc1cc(Br)cc([C@H](Cl)c2cc(Br)c(Br)s2)c1 132021234 WIEGYPOTKZDIGO-NSHDSACASA-N 459.428 6.672 50 10 JKGE Fc1cccc([C@H](Br)c2cc(Cl)c(Br)s2)c1Br 156131554 ZCMGUDZKIBHSPH-JTQLQIEISA-N 463.391 6.550 50 10 JKGE Cc1ccc(Br)cc1[C@H](Br)c1csc2c(Br)cccc12 163510772 GGZYEVRSMLLJST-HNNXBMFYSA-N 475.043 7.219 50 10 JKGE CCCCCCOc1ccc(/C=C(/C#N)C(=O)Nc2nnc(SCCCC)s2)cc1OC 207201021 XIMPCXBENOGLHD-JXAWBTAJSA-N 474.652 5.944 50 10 JKGE Fc1ccc([C@@H](Br)c2cc(Br)sc2Br)cc1Cl 212991808 LFBXKJXSCKICKV-SNVBAGLBSA-N 463.391 6.550 50 10 JKGE Clc1ccc([C@H](Cl)c2csc3c(Br)cccc23)c(Br)c1 236034219 GPLYFFQUMWCFDR-AWEZNQCLSA-N 451.010 7.408 50 10 JKGE CCOc1cc(C=NNC(=O)c2cc3c(ccc4ccccc43)o2)cc(Cl)c1OCc1ccccc1 252611050 IGOIIXIMTWVRLS-UHFFFAOYSA-N 498.966 6.981 50 10 JKGE C[C@@H](Cl)c1nc2cc(I)ccc2n1C1CCN(Cc2ccccc2)CC1 301471018 TZZCGDSRKKPCTH-OAHLLOKOSA-N 479.793 5.778 50 10 JKGE COc1cc(F)c(Br)cc1[C@@H](Br)c1ccc(OCc2ccccc2)cc1 311694201 LGKSHMYOKGIUBG-NRFANRHFSA-N 480.171 6.660 50 10 JKGE CCOc1cc(Cl)c([C@@H](Br)c2ccc(OCc3ccccc3)cc2)cc1Cl 312964630 UNICEYNZSSKILD-QFIPXVFZSA-N 466.202 7.455 50 10 JKGE Fc1ccc(Br)cc1COc1cccc(CBr)c1Br 316010721 WQWMXQNEUWJGIB-UHFFFAOYSA-N 452.943 5.825 50 10 JKGE Cc1cc(C)c([C@@H](Cl)c2cc(Br)sc2Br)c(C)c1Br 381783684 FHZGBDNZYQJUES-ZDUSSCGKSA-N 487.482 7.289 50 10 JKGE C[C@@H](C[C@H](Br)c1cc(I)cc2c1OCC2)CC(C)(C)C 383265818 CGCQLGQRJWYJJN-NHYWBVRUSA-N 451.186 6.125 50 10 JKGE Cc1cccc([C@H](Cl)c2c(Br)cc(F)c(F)c2F)c1I 398453555 IETPAPHOGJSQDQ-NSHDSACASA-N 475.473 6.108 50 10 JKGE COc1ccc([C@@H](Br)c2cscc2Br)c(OC)c1Br 404765240 LUXLVLSCZPWGHU-LLVKDONJSA-N 471.008 5.775 50 10 JKGE CC(C)(C)[Si](C)(C)OCCc1ccc([C@H]2CCOCCN2CCO[Si](C)(C)C(C)(C)C)cc1 616656348 SQFIEEKWWMQCIY-RUZDIDTESA-N 493.881 7.036 50 10 JKGE Cc1cc(Br)cc([C@@H](Br)c2ccc(F)c(Br)c2F)c1 701064328 VWGMPALNDLQDIU-GFCCVEGCSA-N 454.934 6.283 50 10 JKGE Clc1sc([C@@H](Cl)c2scc(Br)c2Br)cc1Br 705409256 MEZRAZOTZNHFOX-SSDOTTSWSA-N 485.875 7.079 50 10 JKGE Cc1ccc([C@H](Br)c2scc(Br)c2Br)c2ccccc12 705448036 ODTCQTXFXHWWDN-AWEZNQCLSA-N 475.043 7.219 50 10 JKGE Cc1ccc([C@@H](Br)c2ccc(Br)c(F)c2)c(C)c1Br 719541613 XUSLUQKALKAHOI-HNNXBMFYSA-N 450.971 6.452 50 10 JKGE Cc1cc([C@H](Cl)c2ccc(I)c(Br)c2)c(C)cc1Cl 721606947 YBIAQJNXCZCKDV-OAHLLOKOSA-N 469.975 6.652 50 10 JKGE Cc1ccc(-n2c(C)cc(C=NNC(=O)c3ccc(CSCc4ccccc4)cc3)c2C)cc1 725447509 TXYQPWZUBZPRJB-UHFFFAOYSA-N 467.638 6.600 50 10 JKGE Cc1ccc(-n2c(C)c(Br)c(C=NNC(=O)CSCc3ccccc3)c2C)c(C)c1 1083985367 CNFDDQNSUOTDRN-UHFFFAOYSA-N 484.463 5.857 50 10 JKGE CCOc1cc(/C=C(\C#N)C(=O)N2CCN(c3ccccc3)CC2)ccc1OCc1ccccc1F 1084341092 YGIJMLJVODZRAA-HKOYGPOVSA-N 485.559 5.059 50 10 JKGE O=C(CC[C@@H](O)c1ccccc1)NN=Cc1cc(Cl)c(OCc2ccccc2F)c(Cl)c1 1084392728 GGEAMSYMPSJSGB-JOCHJYFZSA-N 475.347 5.675 50 10 JKGE CCOC(=O)c1cc(-c2ccc(C=NNC(=O)c3ccccc3Br)o2)ccc1Cl 1084530379 CTROIWJZFFJZQJ-UHFFFAOYSA-N 475.726 5.303 50 10 JKGE CCOc1ccc([C@H](O)CCC(=O)NN=Cc2ccc(OCc3ccc(Cl)cc3)c(OC)c2)cc1 1084578856 KMDNTLDUZDFEHN-XMMPIXPASA-N 496.991 5.290 50 10 JKGE CCc1ccccc1NC(=O)/C(C#N)=C\c1ccc(OCc2ccc(Br)cc2)cc1 1084610124 POXIJJNHMAHHLZ-QNGOZBTKSA-N 461.359 6.136 50 10 JKGE Cc1cccc(NC(=O)N(C(=O)Nc2cccc(C)c2)N(C(=O)c2ccccc2)C(C)(C)C)c1 1088689498 JYLVMFHPTLBNOV-UHFFFAOYSA-N 458.562 6.225 50 10 JKGE COc1ccc2ccccc2c1[C@@H]1C(C#N)=C(N)Oc2c1c(C(F)(F)F)nn2Cc1cccc(F)c1 1865688028 GWJIJYNVIYNHKR-NRFANRHFSA-N 494.448 5.469 50 10 JKGE CCCOc1c(OC)cccc1[C@H]1C(C#N)=C(N)Oc2c1c(CCC)nn2Cc1cccc(F)c1 1865693605 PJAZBWUSEOVNNZ-QHCPKHFHSA-N 476.552 5.039 50 10 JKGE CCCn1nc(C(F)(F)F)c2c1OC(N)=C(C#N)[C@@H]2c1ccc(OCc2ccccc2)c(OCC)c1 1865693911 MQAHDSWXCZSJDX-NRFANRHFSA-N 498.505 5.508 50 10 JKGE CCCc1nn(Cc2ccc(Cl)cc2)c2c1[C@@H](c1ccc(OC(C)C)c(OC)c1)C(C#N)=C(N)O2 1865696104 CFGHHTMFKVXVOU-DEOSSOPVSA-N 493.007 5.551 50 10 JKGE CCCc1nn(-c2ccc(Cl)c(Cl)c2)c2c1[C@H](c1ccc(C(F)(F)F)cc1)C(C#N)=C(N)O2 1865710527 AUFJMYFUJQHGDU-LJQANCHMSA-N 493.316 6.369 50 10 JKGE CCc1nn(C)c2c1[C@@H](c1ccc(OCc3ccccc3)c(OCc3ccccc3)c1)C(C#N)=C(N)O2 1865711595 CCDVOEZDYHIBPK-MHZLTWQESA-N 492.579 5.359 50 10 JKGE Cc1nn(-c2cccc3ccccc23)c2c1[C@@H](c1cccc(OCc3ccccc3)c1)C(C#N)=C(N)O2 1865712057 OTVHONZHCQALCZ-LJAQVGFWSA-N 484.559 6.131 50 10 JKGE COc1cccc([C@@H](C)CC(=O)N[C@@H](C(=O)Nc2ccc(SC#N)cc2)c2ccccc2)c1 1867113059 KHOFJYFXLRZMRW-AVRWGWEMSA-N 459.571 5.258 50 10 JKGE Cc1nc(C(C)C)c(C(=O)N[C@@H](Cc2ccccc2)C(=O)Nc2ccc(SC#N)cc2)s1 1867157565 VBTQXHADFUTITF-FQEVSTJZSA-N 464.616 5.128 50 10 JKGE CC(C)(C)CN1CCN(c2cc(Nc3ccc(SC#N)cc3)nc(-c3cccnc3)n2)CC1 1868565922 QEYLLCFUOMURHQ-UHFFFAOYSA-N 459.623 5.023 50 10 JKGE COc1ccc(-c2csc(/C(C#N)=C(\O)Cc3ccc(OCc4ccccc4)cc3)n2)cc1C 1872744923 OUXATRKFYXGKQO-LCUIJRPUSA-N 468.578 6.742 50 10 JKGE CCCOc1ccc(-c2csc(/C(C#N)=C(\O)c3cc([N+](=O)[O-])cc([N+](=O)[O-])c3C)n2)cc1 1872749745 GFRVROISZUIFMD-UZYVYHOESA-N 466.475 5.674 50 10 JKGE COc1cc(C)c(-c2csc(/C(C#N)=C(\O)c3cc(OC)c(OC)c(OC)c3)n2)cc1C 1872758276 TUWDSCTVZPEIBE-XLNRJJMWSA-N 452.532 5.411 50 10 JKGE CC[C@H](C)[C@H](/C(O)=C(\C#N)c1nc(-c2cc(C)ccc2OC)cs1)N1C(=O)c2ccccc2C1=O 1873921032 QOMFFHUYPHXZEX-WVLXYBLBSA-N 487.581 5.631 50 10 JKGE C[C@H](CCl)N(Cc1ccccc1)S(=O)(=O)c1cc(Br)ccc1Br 1914350337 IOAMLWXRFKYXDV-GFCCVEGCSA-N 481.637 5.030 50 10 JKGE CCN(c1ccc(CBr)cc1Br)[C@H]1CCN(Cc2ccccc2)C1 1915065541 AROJZBUZFHIBHK-SFHVURJKSA-N 452.234 5.445 50 10 JKGE CC(C)[C@@H](CCl)N(Cc1ccccc1)C(=O)c1ccc(Br)cc1C(F)(F)F 1915302337 MDIIWCJMGUULMQ-GOSISDBHSA-N 462.737 6.374 50 10 JKGE CC(C)(CBr)N(Cc1ccccc1)C(=O)c1cc(Br)cc([N+](=O)[O-])c1 1915763015 VJBLXRUHXJMOJU-UHFFFAOYSA-N 470.161 5.173 50 10 JKGE CN(C[C@@H](Br)COCc1ccccc1)C(=O)c1ccc2cc(Br)ccc2c1 1916355274 RZUXTJHFDMKEPP-OAQYLSRUSA-N 491.223 5.655 50 10 JKGE FC(F)(F)c1ccc([C@@H](Br)c2sc(Br)cc2Br)o1 1922881104 BCPJYFNWYABVOH-MRVPVSSYSA-N 468.914 6.369 50 10 JKGE Cc1c(Br)sc([C@@H](Br)[C@H]2C(F)(F)C23CCCC3)c1Br 1922937037 XJNHEVMMMMRFLA-PSASIEDQSA-N 479.022 6.843 50 10 JKGE Brc1cc(Br)c([C@@H](Br)[C@@H]2Cc3ccccc3O2)s1 1922942525 RYBDOGHIKSSIRA-JQWIXIFHSA-N 452.993 5.713 50 10 JKGE CC[C@H](c1ccccc1)[C@@H](Br)c1c(Br)sc(Br)c1Cl 1923067485 DBLUTJSDOCHCCT-MWLCHTKSSA-N 487.482 7.556 50 10 JKGE CCCCCCCCC[C@@H](Br)c1c(Br)sc(Br)c1Cl 1923067886 JYMOCWNTDLVDKA-SNVBAGLBSA-N 495.546 8.503 50 10 JKGE Cc1cc([C@@H](Br)[C@@H](C)c2ccncc2Br)sc1Br 1924033998 WVICCIBENZGNAH-UFBFGSQYSA-N 454.025 6.216 50 10 JKGE C[C@H](c1ccncc1Br)[C@@H](Cl)c1scc(Br)c1Br 1924057387 VBDAVTAVPUUTGO-KSBSHMNSSA-N 474.443 6.514 50 10 JKGE CC(C)(C)C[C@@H](Br)c1c(Br)sc(Br)c1Br 1924577261 ZGPOOKIWNYSNHY-RXMQYKEDSA-N 483.889 6.908 50 10 JKGE Brc1sc(Br)c([C@@H](Br)[C@@H]2[C@H]3COC[C@H]32)c1Br 1924604865 JJVRNNLKAHMOLX-OHKRPGQBSA-N 495.856 5.364 50 10 JKGE Cc1c(Br)sc([C@@H](Cl)c2csnc2Br)c1Br 1925270811 NWFYSDGLTHBZCY-LURJTMIESA-N 466.445 6.129 50 10 JKGE Cc1c(Br)sc([C@@H](Br)C2(Br)CC2)c1Br 1956593266 KZJAYDOXYRQEQY-SSDOTTSWSA-N 467.846 5.945 50 10 JKGE Brc1scc([C@@H](Br)c2ccc3c(c2)CCC3)c1Br 2032958627 IEDJYMUDNUUQSM-LBPRGKRZSA-N 451.021 6.246 50 10 JKGE Fc1ccc(I)cc1[C@@H](Cl)c1c(Cl)sc(Cl)c1Cl 2050468085 SJLXPZLEEYSGCC-MRVPVSSYSA-N 455.934 6.780 50 10 JKGE Clc1cccc(Br)c1C[C@@H](Br)c1cccc(Br)c1 2050567006 KBQDCJJHFUJMPZ-CYBMUJFWSA-N 453.399 6.544 50 10 JKGE CCN(C[C@](C)(CI)OC[C@@H]1CC12CCCCC2)C(=O)OC(C)(C)C 2077649047 LBUQVECJBICENJ-LPHOPBHVSA-N 465.416 5.424 50 10 JKGE Cl[C@H](c1c(Br)sc(Br)c1Br)[C@H]1C[C@H]1C1CCCC1 2079391716 FZVXWYVNMFILLW-LAEOZQHASA-N 477.487 7.142 50 10 JKGE COc1cc(Br)c(C)cc1[C@@H](Br)c1ccccc1OCc1ccccc1 2089723777 WOYVNLPQJGIYRL-QFIPXVFZSA-N 476.208 6.829 50 10 JKGE BrC[C@@]1(Cc2cccc(Br)c2Br)CCO[C@@H]1C1CC1 2092335757 QGRYUTQLQFGUPE-CABCVRRESA-N 453.012 5.334 50 10 JKGE O=C(N[C@@H]1CCCCC[C@H]1Br)c1cccc(Br)c1Br 2092341206 YWNNQWRZFTUDRS-ZYHUDNBSSA-N 454.000 5.038 50 10 JKGE CC1(C)CCC[C@@H]([C@H](Cl)c2c(Br)sc(Br)c2Br)CC1 2100838837 NZUARLXPNVADLO-KCJUWKMLSA-N 493.530 7.922 50 10 JKGE COc1cc(F)c(Br)cc1[C@@H](Br)c1cc(C)sc1Br 2101015721 ZJDFEBFSSMEWDA-GFCCVEGCSA-N 472.999 6.214 50 10 JKGE BrC[C@]12CCC[C@H]1N(c1ncc(Br)cc1Br)CCC2 2108954964 YVQOPBWGFJNCBH-TZMCWYRMSA-N 453.016 5.141 50 10 JKGE CC[C@@H](Br)[C@@H]1CCCCN1Cc1ccc(Br)cc1Br 2114190483 UFPXKFZELONXOL-HIFRSBDPSA-N 454.044 5.740 50 10 JKGE Cc1cc(Br)c([C@H](Br)[C@@H]2[C@@H]3CCC(F)(F)[C@H]32)cc1Br 2114391132 DSWRHVJWLYPPTB-LDICSKNTSA-N 458.966 6.247 50 10 JKGE CCC(F)(F)C(C)(C)[C@@H](Br)c1ccc(Br)c(C)c1Br 2138866040 OJMPFEWRCMIFJX-LBPRGKRZSA-N 462.998 7.028 50 10 JKGE Cc1ccc(Br)cc1[C@@H](Cl)c1ccc(Br)c(C)c1Br 2138867970 ZFGLOYWMCNWLNH-HNNXBMFYSA-N 467.426 6.919 50 10 JKGE COc1c(C)cc(Br)cc1[C@H](Cl)c1cccc(I)c1 2141639886 ORFDSXYNSZIUIV-CQSZACIVSA-N 451.529 5.699 50 10 JKGE CC(C)Cc1ccc([C@@H](Cl)c2ccc(Br)cc2I)s1 2142277709 TUVDSYWOCVQDKY-HNNXBMFYSA-N 469.613 6.642 50 10 JKGE CC(C)Cc1ccccc1[C@H](Br)c1cc(Br)ccc1Br 2145609767 YLNMPDCYDIRQOI-KRWDZBQOSA-N 461.035 6.894 50 10 JKGE COc1ccc([C@H](Br)c2c(Br)cccc2Br)cc1OC 2150494276 PQBLHZISDNRBEU-HNNXBMFYSA-N 464.979 5.713 50 10 JKGE Brc1cccc(Br)c1[C@@H](Br)Cc1ccc2c(c1)CCO2 2168661749 ROZZDNUOCNCUJE-AWEZNQCLSA-N 460.991 5.825 50 10 JKGE Fc1cc(Br)cc(N2CC[C@@]3(CCCN(Cc4ccccc4)C3)C2)c1CBr 2170693296 YJPFSSQRFZGWGY-JOCHJYFZSA-N 496.262 5.976 50 10 JKGE CN([C@@H]1CC[C@@H]1OCc1ccccc1)S(=O)(=O)c1cc(Cl)cc(CBr)c1Cl 2179858472 OXCPBBPIMBFWSO-SJORKVTESA-N 493.250 5.257 50 10 JKGE CCn1cc(Br)c([C@@H](Br)c2cc(Br)c(F)cc2OC)n1 2181176457 OJPWMYMEAZFLRP-LBPRGKRZSA-N 470.962 5.060 50 10 JKGE CC1(C)CCC[C@H](COc2c(Br)cc(CBr)cc2Br)C1 2203245260 LPNWSDARUPDACI-NSHDSACASA-N 469.055 6.702 50 10 JKGE Cc1cc2sc([C@@H](Cl)c3ccc(Br)c(C)c3Br)cc2s1 2203687774 QXNJDMIUKYSJPK-HNNXBMFYSA-N 450.648 7.433 50 10 JKGE Fc1cc(Br)c(Br)cc1[C@H](Cl)c1csnc1Br 2213488101 CARGYXIELOXKAC-VIFPVBQESA-N 464.379 5.898 50 10 JKGE CCOCc1cc(Br)c([C@@H](Br)c2coc(Br)c2)s1 2217986909 CKZGUZDCUFWLGQ-NSHDSACASA-N 458.997 5.887 50 10 JKGE Cc1cc(Br)c([C@H](Br)[C@]2(C)CCCOC2)c(C)c1Br 2227356630 RWWWESYMKLBNPH-LSDHHAIUSA-N 455.028 6.081 50 10 JKGE Cc1sc([C@H](Cl)c2ccc(Br)c(C)c2Br)c(Br)c1C 2229324250 VZNSTYSYLMEFSG-CYBMUJFWSA-N 487.482 7.289 50 10 JKGE FC(F)(C1CCCC1)[C@@H](Br)c1c(Br)cc(Cl)c(Cl)c1Cl 2232510602 MWLZSUZALAVHKC-LBPRGKRZSA-N 471.394 7.671 50 10 JKGE Clc1c(Br)csc1[C@@H](Br)Cc1ccc(Br)cc1 2246497821 QHEAUZVLTSLLKF-VIFPVBQESA-N 459.428 6.605 50 10 JKGE Cc1sc(Br)c(C)c1[C@H](Br)c1cccc(Cl)c1Br 2256136411 KJSNWJJTYZMTRH-GFCCVEGCSA-N 473.455 7.028 50 10 JKGE Cc1sc([C@H](Br)Cc2ccc(Br)cc2F)c(Br)c1C 2264462872 IIYNFGIJYZIPLQ-LLVKDONJSA-N 471.027 6.708 50 10 JKGE CC(C)(C)OC(=O)N1CCC[C@@](CI)(OC[C@H]2CC(F)(F)C23CCC3)C1 2266111965 LDTACFPCVQOAJP-PBHICJAKSA-N 485.353 5.033 50 10 JKGE Fc1ccc([C@H](Cl)c2c(F)cccc2I)c(F)c1Br 2267663919 TWHVCXIHIXECDK-LBPRGKRZSA-N 461.446 5.799 50 10 JKGE COc1c([C@@H](Cl)c2scc(Br)c2Cl)cc(Br)c(C)c1C 2284584912 CARQYDGUQFPPFZ-LLVKDONJSA-N 459.030 6.880 50 10 JKGE Cc1cc(Cl)c(Br)cc1[C@H](Br)c1cscc1S(C)(=O)=O 2288500256 DYRSVOFBBTVCEJ-ZDUSSCGKSA-N 458.624 5.360 50 10 JKGE Clc1ccc(COc2c(Cl)cc(CBr)cc2Cl)c(Br)c1 2296310826 OFRJKSJSVPFPCC-UHFFFAOYSA-N 459.392 6.883 50 10 JKGE N#CC(=Cc1cn(-c2ccccc2)nc1-c1cc2ccccc2o1)C(=O)Nc1cccc2ncccc12 2297388013 XJQYWLYKUHFPOX-UHFFFAOYSA-N 481.515 6.379 50 10 JKGE C[C@@H]1C[C@@H]1[C@@H]1C[C@@H]1[C@@H](Br)c1cc(Br)ccc1OCc1ccccc1 2299530190 JVPKLGUTMDQSGI-YITDUUBZSA-N 450.214 6.756 50 10 JKGE CCCc1sc(Br)cc1[C@H](Br)c1ncsc1Br 2300648218 DGTUWYVSKRQQGX-VIFPVBQESA-N 460.054 6.166 50 10 JKGE N#CC(=Cc1cc(-c2ccccc2)n(-c2ccc([N+](=O)[O-])cc2)c1-c1ccccc1)c1ccccc1 2313510301 NBEFVEXRFCUNEU-UHFFFAOYSA-N 467.528 7.784 50 10 JKGE N#CC(=Cc1cc(Br)c(Sc2ccc(Cl)cc2)o1)c1ccc(Br)cc1 2313562250 KCNDEXDNLSIHHC-UHFFFAOYSA-N 495.623 7.673 50 10 JKGE Cc1cc(C=C(C#N)C(=O)Nc2cccc(Cl)c2Cl)c(C)n1-c1ccccc1Br 2313570770 FVTCOXYXKGBVFQ-UHFFFAOYSA-N 489.200 6.709 50 10 JKGE Cc1ccc(COc2ccc(Br)cc2C=C(C#N)C(=O)Nc2ccccc2Cl)cc1 2313631078 KBPVDTGVTSRTMH-UHFFFAOYSA-N 481.777 6.536 50 10 JKGE CO[C@@H]1CCC[C@@H]([C@@H](Br)c2ccc(OCc3ccccc3)cc2Br)C1 2314446427 TYBSTKLPJYGOHM-CBGDNZLLSA-N 468.229 6.669 50 10 JKGE Brc1cc(OCc2ccccc2)ccc1[C@H](Br)[C@@H]1[C@H]2[C@H]3CC[C@@H](C3)[C@H]21 2314448295 GROLRTZIIODTPC-CYKJOMKPSA-N 462.225 6.756 50 10 JKGE Brc1cc(OCc2ccccc2)ccc1[C@@H](Br)[C@@H]1CC[C@H]2C[C@H]1CO2 2314455654 QINLIDPZAJDSIU-OAZVVGOESA-N 466.213 6.279 50 10 JKGE Cc1ccccc1NC(=O)C(C#N)=Cc1ccc(N2N=C(c3ccccc3)C[C@@H]2c2ccccc2)cc1 2314482324 HPGFCBUJMNKRFB-WJOKGBTCSA-N 482.587 6.896 50 10 JKGE Cc1c(Cl)sc(Cl)c1[C@@H](Cl)c1cc(Br)ccc1I 2314513961 ROPHNWBMNIHUET-JTQLQIEISA-N 496.422 7.059 50 10 JKGE Cc1ccc(NC(=O)C(C#N)=Cc2c(Oc3ccccc3F)nc3c(C)cccn3c2=O)cc1C 2314531491 BMCCSBHSOCTCFO-UHFFFAOYSA-N 468.488 5.097 50 10 JKGE Cc1cccc(C[C@@H]2SC(=C(C#N)C(=O)NCc3ccccc3)N(c3ccc(C)c(C)c3)C2=O)c1 2314592767 BHIKMMDNUMBDTO-SANMLTNESA-N 481.621 5.355 50 10 JKGE CCc1ccc(N2C(=O)[C@@H](Cc3ccccc3)SC2=C(C#N)C(=O)N[C@H](C)c2ccccc2)cc1 2314593062 GUKKGPPGKPXGAG-FQRUVTKNSA-N 481.621 5.553 50 10 JKGE C=CCOc1ccc(-c2nn(-c3ccccc3)cc2C=C2C(=O)N(C(C)C)C(=O)C(C#N)=C2C)cc1 2314609956 ARZMUGBATXDSDF-UHFFFAOYSA-N 478.552 5.105 50 10 JKGE Cc1c(F)ccc([C@H](Br)c2cc(Br)c(Br)s2)c1Cl 2316779812 KTBNZOICRBGTLF-JTQLQIEISA-N 477.418 6.858 50 10 JKGE COc1cc(C=C(C#N)c2nc3ccccc3[nH]2)ccc1OC(=O)c1ccc(Cl)cc1Cl 2331021342 NCICFQXUVRPPQQ-UHFFFAOYSA-N 464.308 6.162 50 10 JKGE CCCCc1ccc(-c2csc(C(C#N)=C(O)C=Cc3ccc(OCc4ccccc4)cc3)n2)cc1 2331256750 XJZOGYAZHIJLJD-UHFFFAOYSA-N 492.644 8.238 50 10 JKGE COc1ccc(OC)c(-c2csc(C(C#N)=C(O)COc3cc(C)c(Cl)c(C)c3)n2)c1 2331326064 WRBOVXYBMPSSJD-UHFFFAOYSA-N 456.951 5.969 50 10 JKGE COc1ccc(Cl)cc1N1C[C@@H](C(O)=C(C#N)c2nc(-c3c[nH]c4ccccc34)cs2)CC1=O 2331346748 IBMHLKQISCWPFP-AWEZNQCLSA-N 490.972 5.799 50 10 JKGE COc1ccc(-c2csc(C(C#N)=C(O)Cc3cc(Cl)ccc3Cl)n2)c2ccccc12 2331405123 SYPPMEJWDOJGMN-UHFFFAOYSA-N 467.377 7.314 50 10 JKGE Cc1c(Br)ccc([C@H](Br)[C@@H]2CC[C@H]3C[C@@H]2CO3)c1Br 2333146102 GYBIHXCRVVGWAC-JNIYBQFBSA-N 453.012 5.771 50 10 JKGE Clc1ccc(CN2[C@@H](CBr)CCC23CCC3)c(I)c1 2341046926 GMCKOSIHYOMECF-CYBMUJFWSA-N 454.577 5.227 50 10 JKGE C[C@@H](c1ccncc1F)[C@@H](Br)c1cc(I)ccc1Br 2344691831 HFWLYOHBUAWICW-RMLUDKJBSA-N 498.959 5.828 50 10 JKGE Cc1cc(F)c(CBr)c(OCc2cc(Br)cc(Br)c2)c1 2362210414 KIDUUAPONNMARF-UHFFFAOYSA-N 466.970 6.133 50 10 JKGE Fc1c(Br)cc(Cl)c([C@@H](Cl)[C@H]2CC23CC(F)(F)C3)c1Br 2362250723 GRCLZZBHCMDEOF-FWOIEVBISA-N 452.923 6.719 50 10 JKGE Clc1ccc(C[C@H]2CCCCCCCC[C@@H]2Br)cc1I 2362435705 JBIDTRUOMZAUMN-CABCVRRESA-N 469.632 7.001 50 10 JKGE CCc1cc([C@H](Br)c2c(Br)c(Br)nn2C)c(F)cc1F 2364064593 TXQLCBFEPDCDSG-JTQLQIEISA-N 472.953 5.270 50 10 JKGE CC(C)(C)OC(=O)N1CCC(CBr)(OCCCc2cc(Cl)cc(Cl)c2)CC1 2366938114 UAHWMRUMJTVAJW-UHFFFAOYSA-N 481.258 6.107 50 10 JKGE CCOC(=O)c1c(NC(=O)/C(C#N)=C\c2ccc(OC)cc2)sc(C)c1-c1ccc([N+](=O)[O-])cc1 35058194 GWHFXFMQWHJDBF-AQTBWJFISA-N 491.525 5.363 50 10 JKGE N#C/C(=C\c1ccccc1OCC(=O)Nc1nccs1)c1nc(-c2ccc(F)cc2)cs1 35519703 SNHGLOGOVNXSFO-GZTJUZNOSA-N 462.531 5.487 50 10 JKGE CC(C)(C)c1ccc(N2C(=O)CS[C@@H]2c2ccc(NC(=O)[C@H](Cl)c3ccccc3)cc2)cc1 35928129 HIHVVLTUJOWNLQ-AOYPEHQESA-N 479.045 6.681 50 10 JKGE CC1=C(C#N)C(=O)N(C(C)C)C(=O)/C1=C/c1cn(-c2ccccc2)nc1-c1cc(C)ccc1C 38604292 QSEDPLBIFXCQEU-ZVHZXABRSA-N 450.542 5.157 50 10 JKGE CCCCOc1ccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4cccc(Cl)c4)ccc32)cc1 38650860 UEAGSOUROYSVIM-VWLOTQADSA-N 474.944 5.956 50 10 JKGE N#CC1=C(N)Oc2cc(OC(=O)c3cccc4ccccc34)ccc2[C@@H]1c1ccc(Cl)cc1Cl 38655476 HVOBJYOLBPFJBR-VWLOTQADSA-N 487.342 6.584 50 10 JKGE CCCCCOc1cccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4ccc(C)cc4)ccc32)c1 38684755 LPYWRPGMACVMAL-MHZLTWQESA-N 468.553 6.001 50 10 JKGE Cc1c(C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@@H]3c2ccc([N+](=O)[O-])cc2)oc2ccc(F)cc12 38688242 KJNUGYUCACVMED-HSZRJFAPSA-N 485.427 5.226 50 10 JKGE Cc1ccc(NC(=O)c2oc3c(c2C)/C(=N/NC(=O)c2ccc(-c4ccccc4)cc2)CCC3)c(C)c1 40822584 WFFQBVQKURCONM-MHTZHOPKSA-N 491.591 6.595 50 10 JKGE O=C(CC[C@H](O)c1ccccc1)N/N=C\c1cn(Cc2ccc3ccccc3c2)c2ccccc12 58891319 JRZIHYQKRKVMTO-JWPDNNILSA-N 461.565 5.807 50 10 JKGE N#C/C(=C/c1cc(Cl)ccc1OCc1ccccc1Cl)C(=O)Nc1ccc(Cl)cc1 59116889 ZMKBLWSLRGXJOV-BOPFTXTBSA-N 457.744 6.771 50 10 JKGE COc1cc(/C=C(\C#N)C(=O)Nc2ccccc2F)ccc1OCc1ccc(Cl)cc1Cl 59117199 LWXZPSACQMIQKF-LICLKQGHSA-N 471.315 6.266 50 10 JKGE C/C(=N\NC(=O)c1ccccc1I)C(c1ccccc1)c1ccccc1 66202517 GMBHFULSEJIRDA-LFVJCYFKSA-N 454.311 5.229 50 10 JKGE CC[C@@H](CBr)COc1c(I)cc(Cl)c2cccnc12 96869921 GZQKYGRJUFFYLS-VIFPVBQESA-N 454.533 5.293 50 10 JKGE O=C(N/N=C/c1cccc(Oc2ccccc2)c1)c1cccc(NC(=O)c2ccc(F)cc2)c1 97729876 LZSMDCSZYDGJEV-RDRPBHBLSA-N 453.473 5.634 50 10 JKGE Clc1ccc(Br)cc1[C@H](Br)c1cc2c(cc1Br)OCCO2 109865443 SZDYXQNLGFLQGF-OAHLLOKOSA-N 497.408 6.121 50 10 JKGE COc1cccc(F)c1[C@H](Br)c1cc(Br)ccc1Br 115071161 CRALNWFFCBBWKB-CQSZACIVSA-N 452.943 5.844 50 10 JKGE Fc1cc(Br)cc(CC(CBr)(CBr)c2ccccc2F)c1 125125968 BWYJGYWXNRQYRL-UHFFFAOYSA-N 482.988 5.998 50 10 JKGE Clc1cccc([C@H](Br)c2cc(Br)c(Br)s2)c1Cl 128232224 SQSJIVGXDVPQNU-VIFPVBQESA-N 479.846 7.064 50 10 JKGE Brc1cc([C@@H](Br)[C@@H]2[C@@H]3CCc4ccccc4[C@H]32)c(Br)s1 164298372 ITXOQDMHUAKBGJ-JUDXGUMMSA-N 477.059 6.685 50 10 JKGE Cc1ccc(C(CBr)(CBr)Cc2cncc(Br)c2)cc1 169003204 KUEPMQAEHCCRCA-UHFFFAOYSA-N 462.023 5.423 50 10 JKGE COc1ccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)/C=C\c4ccc(C(C)(C)C)cc4)ccc32)cc1 205641972 PXPFPCGKQQEMAE-UROWEKJLSA-N 480.564 5.830 50 10 JKGE CC(C)c1nnc(CO[Si](C)(C)C(C)(C)C)n1C1C[C@@H]2CC[C@H](C1)N2CC[C@H](N)c1ccccc1 206565662 VWTBEKFRQZYVLR-NPZNXQLHSA-N 497.804 6.181 50 10 JKGE in-vitro CCCCCCCOc1ccc(/C=C2\C(=O)N(CCCC)C(=O)C(C#N)=C2C)cc1OCC 214229622 AQWXGWLPMOESID-XLNRJJMWSA-N 452.595 5.827 50 10 JKGE COCCOc1ccc([C@@H](Cl)c2csc(I)c2)cc1Br 229012163 SJTLTSVJWNASPM-CQSZACIVSA-N 487.584 5.469 50 10 JKGE CCOc1ccc([C@H](Br)c2ccc(Cl)cc2Br)c(Br)c1 233791299 PNCWUNQTXYOZDM-OAHLLOKOSA-N 483.425 6.748 50 10 JKGE COc1c(C)cc([C@@H](Br)c2cc(Br)sc2Br)cc1C 234919389 MHDIQHYYMPUFEG-GFCCVEGCSA-N 469.036 6.383 50 10 JKGE FC(F)(F)C([C@@H](Br)c1cc(Br)sc1Br)C(F)(F)F 236096974 WFCFMWJSQBLZRA-BYPYZUCNSA-N 484.879 6.450 50 10 JKGE Fc1cccc(C[C@H](Br)c2cc(Br)cc(Br)c2)c1F 236216373 QMUIQRZBEOVKQQ-LBPRGKRZSA-N 454.934 6.169 50 10 JKGE Fc1cc([C@H](Br)c2ccc(Cl)cc2Br)c(F)cc1Br 236236469 XPRIZLDBKZUADF-CYBMUJFWSA-N 475.352 6.628 50 10 JKGE CCCOc1ccc(-c2cc(C(=O)NN=Cc3cc(OC)ccc3OC)c3ccccc3n2)cc1 252626304 QZZVCZIERJQNRT-UHFFFAOYSA-N 469.541 5.472 50 10 JKGE Cc1cc(C(=O)NN=Cc2c(Cl)cccc2Cl)nn1-c1c(Cl)cc(Cl)cc1Cl 254615132 UXHGJQMLQXKFKF-UHFFFAOYSA-N 476.578 6.212 50 10 JKGE Cc1ccc(COc2cccc(C=NNC(=O)CSc3nnc(-c4ccccc4)s3)c2)cc1 256028509 QTWJBFUQJFTYHC-UHFFFAOYSA-N 474.611 5.335 50 10 JKGE C[C@@H](Cl)c1nc2cc(I)c(F)cc2n1C[C@H]1CCN(Cc2ccccc2)C1 380195790 FGARGDFGHCNMPF-ZBFHGGJFSA-N 497.783 5.602 50 10 JKGE Cc1ccc([C@H]2CN(C(=O)OCc3ccccc3)C[C@@H]2CBr)c(Br)c1 382689940 LMCSPNFGGQKIPV-WMZOPIPTSA-N 467.201 5.505 50 10 JKGE CCOC(C)(C)CC(CBr)(CBr)c1ccc(Br)cc1 702658301 BFXFOERGYGBLFB-UHFFFAOYSA-N 457.044 5.682 50 10 JKGE COc1ccc2nc([C@H](C)Cl)n(CC3(N(Cc4ccccc4)Cc4ccccc4)COC3)c2n1 705598322 BFYZRHPSRQLXTR-FQEVSTJZSA-N 477.008 5.211 50 10 JKGE Cc1sc([C@H](Br)c2ccc(Br)c(Cl)c2)c(C)c1Br 724909143 MBPOVTROGYKYNS-GFCCVEGCSA-N 473.455 7.028 50 10 JKGE COc1cc(/C=C(\C#N)C(=O)N(C)C)c(Br)cc1OCc1ccc2ccccc2c1 1083913698 ZSOZTDBAPFDASL-RGVLZGJSSA-N 465.347 5.185 50 10 JKGE C=CCc1cc(C=NNC(=O)CC[C@@H](O)c2ccccc2)cc(OCC)c1OCc1ccccc1 1083949380 ITMCVQRKHAZIST-AREMUKBSSA-N 472.585 5.357 50 10 JKGE COc1cc(C=NNC(=O)CC[C@@H](O)c2ccccc2)cc(Cl)c1OCc1ccc(Cl)cc1 1084562020 ZTBOZXRERYRFOI-JOCHJYFZSA-N 487.383 5.545 50 10 JKGE CC(C)(C)c1ccc(OCC(=O)NN=Cc2ccc(Oc3ccc([N+](=O)[O-])cc3[N+](=O)[O-])cc2)cc1 1084584502 GBZHPBRASKXGNR-UHFFFAOYSA-N 492.488 5.122 50 10 JKGE COc1ccc(Br)cc1C=NNC(=O)COc1cc(C)c(Br)cc1C(C)C 1565517554 NGEMIZNETGKKDO-UHFFFAOYSA-N 498.215 5.181 50 10 JKGE O=C1[C@@H](C[C@]2(F)C(Cl)=CC(c3ccccc3)=C[C@@H]2Cl)CCN1[C@@H]1CCc2c[nH]nc2C1 1772508756 HVRBUPWVJYOLQC-KOAACNARSA-N 460.380 5.041 50 10 JKGE Cc1c(C(=O)N2c3ccc(F)cc3CC[C@H]2C)oc2c1C(=NNC(=O)c1ccccc1)CCC2 1772745132 SVJBTDWHOOZXOT-MRXNPFEDSA-N 459.521 5.179 50 10 JKGE Cc1c(C(=O)NCCc2cccs2)oc2c1C(=NNC(=O)c1ccc(-c3ccccc3)cc1)CCC2 1772747380 OAQNPPFGXZUVKW-UHFFFAOYSA-N 497.620 5.759 50 10 JKGE Cc1c(C(=O)Nc2ccc(Oc3ccccc3)cc2)oc2c1C(=NNC(=O)c1ccco1)CCC2 1772747489 PNYYUSJTIWCBPQ-UHFFFAOYSA-N 469.497 5.696 50 10 JKGE COc1ccc2ccccc2c1C=NNC(=O)CCCOc1ccc(C(C)(C)C)cc1Br 1772755497 JOVRCXFWQOSUKT-UHFFFAOYSA-N 497.433 6.218 50 10 JKGE N#CC1=C(N)Oc2c(c(C(F)(F)F)nn2-c2ccc(Br)cc2)[C@H]1c1ccccc1F 1865683912 QECDTJGBMNHDGC-HNNXBMFYSA-N 479.231 5.011 50 10 JKGE N#CC1=C(N)Oc2c(c(C(F)(F)F)nn2-c2ccccc2)[C@@H]1c1c(Cl)cccc1Cl 1865685834 NWCJSUUVESHZNH-AWEZNQCLSA-N 451.235 5.416 50 10 JKGE CCCc1nn(-c2cccc3ccccc23)c2c1[C@H](c1ccc(Cl)c(Cl)c1)C(C#N)=C(N)O2 1865686044 PXFOHHSCFHQGRD-HSZRJFAPSA-N 475.379 6.503 50 10 JKGE Cc1ccccc1COc1ccc([C@@H]2C(C#N)=C(N)Oc3c2c(C)nn3-c2cccc(Cl)c2)cc1 1865702898 HVEPYIJQMILOMW-AREMUKBSSA-N 482.971 5.940 50 10 JKGE CCCc1nn(Cc2cc(C)ccc2C)c2c1[C@@H](c1ccc(Cl)c([N+](=O)[O-])c1)C(C#N)=C(N)O2 1865706275 RXOLRAPMAAHMTK-QFIPXVFZSA-N 477.952 5.281 50 10 JKGE COc1ccc(-c2nn(Cc3ccc(Cl)cc3)c3c2[C@H](c2cccc(OC)c2)C(C#N)=C(N)O3)cc1 1865712295 VBKXAWIRVPBDQQ-XMMPIXPASA-N 498.970 5.487 50 10 JKGE Cc1nc(-c2ccc(Cl)cc2Cl)ccc1C(=O)NNC(=O)Cc1ccc(Br)cc1 1865759877 WUURWAJCOBDZBG-UHFFFAOYSA-N 493.188 5.130 50 10 JKGE C/C(=N\NC(=O)c1ccc(-c2ccc(Cl)c(Cl)c2)nc1C)c1ccc2c(c1)OCCO2 1865763659 WRSYZJVXLZBBSP-UVHMKAGCSA-N 456.329 5.289 50 10 JKGE CCc1ccc(-c2csc(/C(C#N)=C(\O)c3ccc4c(c3)C(=O)N(c3ccc(F)cc3)C4=O)n2)cc1 1872744175 IOKNFHJYHSMAPH-BZZOAKBMSA-N 495.535 6.262 50 10 JKGE C[C@@H](/C(O)=C(\C#N)c1nc(-c2ccc(Br)cc2)cs1)N1C(=O)c2ccccc2C1=O 1872746499 KXBNRVXOESLLKU-LCIOQVQZSA-N 480.343 5.050 50 10 JKGE N#C/C(=C(/O)CCCOc1ccc2ccccc2c1)c1nc(-c2ccc([N+](=O)[O-])cc2)cs1 1872747365 ZHURCCLLOJTEEB-GYHWCHFESA-N 457.511 6.523 50 10 JKGE CCc1cccc(C)c1N1C[C@@H](/C(O)=C(\C#N)c2nc(-c3ccc4c(c3)OCCO4)cs2)CC1=O 1872750418 DPGCYTGVFVRFRF-MHAPCUCXSA-N 487.581 5.298 50 10 JKGE CCCCCCCOc1ccc(-c2csc(/C(C#N)=C(\O)Cc3ccc(OCCC)cc3)n2)cc1 1872753179 KYJVBEVVQXDODZ-SGEDCAFJSA-N 490.669 7.983 50 10 JKGE CCCCCCOc1ccc(/C(O)=C(\C#N)c2nc(-c3ccc(Oc4ccccc4)cc3)cs2)cc1 1872753881 RJHVNRKAWXQUBJ-OHYPFYFLSA-N 496.632 8.511 50 10 JKGE Cc1cc(C)c(C)c(-c2csc(/C(C#N)=C(\O)[C@H]3CC(=O)N([C@H](C)c4ccccc4)C3)n2)c1C 1872754265 KNIWOTOJHQHMSN-WNNLTZCSSA-N 471.626 6.446 50 10 JKGE CCOc1ccc(OCC)c(-c2csc(/C(C#N)=C(O)/C=C/c3cc(OC)ccc3OC)n2)c1 1872755004 UIIKXBSWYUXPHQ-SZMIEORPSA-N 478.570 6.131 50 10 JKGE COC(=O)c1ccccc1N1C[C@@H](/C(O)=C(\C#N)c2nc(-c3ccc(C)c(C)c3)cs2)CC1=O 1872756063 BVFNZAKGFIBRGM-FCFMXISVSA-N 473.554 5.059 50 10 JKGE CCN(Cc1ccccc1)c1ccc(/C=C(\C#N)c2nc(-c3cc(C(C)(C)C)ccc3C)cs2)cc1 1872794401 ZIIQEKTZKRBFRM-NLRVBDNBSA-N 491.704 8.507 50 10 JKGE Cc1cc(-c2csc(/C(C#N)=C(\O)c3ccc4c(c3)C(=O)N(Cc3ccco3)C4=O)n2)ccc1F 1873921157 XPUKENNSAMIXTO-ATJXCDBQSA-N 485.496 5.597 50 10 JKGE CCCOc1ccc([C@@H](Br)c2c(C)nsc2Br)cc1Br 1912983379 ZDJOUYITEVTTFH-CYBMUJFWSA-N 484.051 6.250 50 10 JKGE O=C(c1cc(Br)c(Br)s1)N(CCCCl)Cc1ccccc1 1914641576 GLICMTDSCQJVFX-UHFFFAOYSA-N 451.611 5.544 50 10 JKGE CC(C)[C@@H](CBr)N(Cc1ccccc1)C(=O)c1c(F)c(F)c(F)c(F)c1F 1915258842 CUXKFUHEAMEOAS-GFCCVEGCSA-N 450.245 5.444 50 10 JKGE Cc1cccc(C(=O)N(Cc2ccccc2)[C@@H](CBr)C(C)C)c1Br 1915293347 LBHKPBPJYSXYDU-SFHVURJKSA-N 453.218 5.819 50 10 JKGE CC1(C)C[C@H](N(Cc2ccccc2)c2ccc(CBr)cc2Br)CO1 1915483700 DLDIJRHREGDMJE-KRWDZBQOSA-N 453.218 5.918 50 10 JKGE Cc1c(Br)sc([C@@H](Cl)c2ccc(Cl)cc2Br)c1Br 1922947057 YHPDRIQBZPDAAS-JTQLQIEISA-N 493.873 7.326 50 10 JKGE CC[C@H](CC(F)(F)F)[C@H](Br)c1c(Br)sc(Br)c1Cl 1923049038 JQNKQCNTXIKVQU-XINAWCOVSA-N 493.408 7.341 50 10 JKGE Cc1c(F)cccc1[C@H](Br)c1c(Br)sc(Br)c1Cl 1923049662 NGDGVEOEFWXHCR-VIFPVBQESA-N 477.418 6.858 50 10 JKGE FC(F)(F)CC1([C@H](Cl)c2c(Br)sc(Br)c2Cl)CCC1 1923054693 IZUNGSZXBAKZPP-SSDOTTSWSA-N 460.968 7.329 50 10 JKGE Cl[C@@H](CC[C@H]1CCCCO1)c1c(Br)sc(Br)c1Br 1924589610 CYNCEGRTFHXPCY-SFYZADRCSA-N 481.475 6.665 50 10 JKGE Cc1cc(C)c([C@H](Cl)c2c(Br)sc(Br)c2Br)c(C)c1 1924595997 HSHDAUDMDQTRBI-LBPRGKRZSA-N 487.482 7.289 50 10 JKGE FC1(F)[C@@H]2CC[C@H]([C@@H](Cl)c3c(Br)sc(Br)c3Br)C[C@H]21 1924616596 QUAZRMIGKQJHIO-BKIHBWCSSA-N 499.440 6.997 50 10 JKGE CC1(NC(=O)c2ccc(Br)cc2Br)CCC(Br)CC1 1924732585 NMMPRAFFGVNVJU-UHFFFAOYSA-N 454.000 5.038 50 10 JKGE Clc1sc(Cl)c([C@@H](Cl)c2cc(Br)sc2Br)c1Cl 1925569002 OSPYYSFHFUCRPH-YFKPBYRVSA-N 475.869 7.623 50 10 JKGE Clc1sc(Br)c(Cl)c1[C@H](Br)c1ccccc1Br 1925570753 KGPDUMNISLFUKV-MRVPVSSYSA-N 479.846 7.064 50 10 JKGE O=C(NOCCCNC(=O)c1cccc(CCl)c1)OCC1c2ccccc2-c2ccccc21 1977669023 SQIUPJLAZGYCKN-UHFFFAOYSA-N 464.949 5.016 50 10 JKGE Cc1c(Cl)cc(C(=O)N(Cc2ccccc2)[C@@H](C)CBr)cc1Br 1979763508 IOENWLVZIXPMEB-LBPRGKRZSA-N 459.609 5.837 50 10 JKGE C[C@@H]1CC[C@H](NCCSSCCNC(=O)OC(C)(C)C)[C@H](OCc2ccccc2)C1 1985350395 PPTAOBQGOFOAOF-HLAWJBBLSA-N 454.702 5.256 50 10 JKGE BrCc1ccc(N2C[C@H]3C[C@H]2CN(Cc2ccccc2)C3)c(Br)c1 1997909753 IFOABZCTPOJASH-ROUUACIJSA-N 450.218 5.055 50 10 JKGE C[C@@]1(CCOCc2ccccc2)CCN1c1ccc(CBr)c(Br)c1 2020891247 RATRDMMEFDIQES-FQEVSTJZSA-N 453.218 5.920 50 10 JKGE CCOc1ccc([C@H](Br)c2sncc2Br)cc1Br 2028524139 JNCFCLVVHWXGLC-NSHDSACASA-N 455.997 5.551 50 10 JKGE CCc1sc(Br)cc1[C@@H](Br)c1nn(CC)cc1Br 2060855888 LSBUHEBMWPPKPY-LLVKDONJSA-N 457.029 5.536 50 10 JKGE CCc1nn(C)c([C@@H](Cl)c2cc(Br)sc2Br)c1Br 2072301958 DVNYCKVGFYEOFR-VIFPVBQESA-N 477.447 5.660 50 10 JKGE Cc1cc(Br)cc([C@H](Br)c2c(Br)sc(C)c2C)c1 2082885546 QULRSQMCKJDEPH-ZDUSSCGKSA-N 453.037 6.683 50 10 JKGE Cl[C@@H](c1ccc(I)c(Br)c1)c1ncn2ccsc12 2083996993 DIPCRBCFMVHCFI-JTQLQIEISA-N 453.530 5.091 50 10 JKGE COc1cc(F)c(Br)cc1[C@H](Cl)c1csc(Br)c1Br 2093942485 TUOHXYYCZUPGGG-NSHDSACASA-N 493.417 6.512 50 10 JKGE C[C@H]1CCCN(Cc2c(Br)cccc2Br)[C@@H]1CCBr 2094088487 LPSHOLVJZCYITQ-XHDPSFHLSA-N 454.044 5.597 50 10 JKGE C[C@@]1(C2CC2)CN(c2ccc(CBr)cc2Br)CCN1Cc1ccccc1 2094733623 VTZLPYHPLVDHGL-QFIPXVFZSA-N 478.272 5.835 50 10 JKGE COc1cc(C)c(Br)cc1[C@@H](Br)c1cc(Br)sc1C 2095699785 RVTHXEONSUUIPN-AWEZNQCLSA-N 469.036 6.383 50 10 JKGE Brc1cc([C@H](Br)[C@@H]2C[C@H]3CCCCCC[C@H]32)sc1Br 2109844790 CSICXFJVEWKVHB-ZHSDAYTOSA-N 471.096 7.316 50 10 JKGE Cc1cc(Br)c([C@H](Br)[C@]2(C)CCCC2(F)F)cc1Br 2111642856 HDSKHBJCZHZKDY-STQMWFEESA-N 460.982 6.782 50 10 JKGE CC(C)(C)[C@@H]1[C@H](Br)CCN1Cc1cc(Cl)ccc1I 2128668342 IFEWXLPQTHWROF-OCCSQVGLSA-N 456.593 5.329 50 10 JKGE Cc1c(Br)ccc([C@H](Br)C[C@@H]2C[C@H]2C(F)(F)F)c1Br 2138851685 LIQIGTVFYAHXIN-JVUFJMBOSA-N 464.945 6.545 50 10 JKGE Clc1cc(CN(CCBr)Cc2ccsc2)ccc1I 2142945675 XINSPODIXYFVIW-UHFFFAOYSA-N 470.601 5.403 50 10 JKGE C[C@H]1CCC[C@](CBr)(NC(=O)c2c(Br)cccc2Br)C1 2150491356 NVHVENBKOGOQIN-BONVTDFDSA-N 468.027 5.285 50 10 JKGE O=C(c1cc(Br)c(Br)s1)N1CCC2(CCC2)[C@H](CBr)C1 2151649828 BFGHKDDQCNKWJP-SECBINFHSA-N 486.067 5.300 50 10 JKGE COc1c(C)cc(Br)c(C)c1[C@H](Br)c1cc(Br)sc1C 2152047215 FCKPQBMDKXAOOE-CQSZACIVSA-N 483.063 6.691 50 10 JKGE CCOc1cc(Cl)c([C@@H](Br)c2scc(C)c2Br)cc1Cl 2157036299 WUZSJCLTJRBELQ-CYBMUJFWSA-N 459.030 7.009 50 10 JKGE C[C@@H]1C[C@H](CCC(CBr)(CBr)c2cccc(Br)c2)CO1 2159283981 ANRAGWNWGCFEID-OLZOCXBDSA-N 469.055 5.682 50 10 JKGE Cc1cc(Br)c([C@@H](Br)C[C@@H](C(F)F)C(C)(C)C)cc1Br 2167667254 CNWZBBLIWIOKIX-GWCFXTLKSA-N 477.025 7.274 50 10 JKGE COc1c(CBr)cc(Cl)cc1S(=O)(=O)N(Cc1ccccc1)[C@H](C)C(C)C 2179826335 QYLHCLRHXFIFBS-OAHLLOKOSA-N 474.848 5.479 50 10 JKGE Cc1cc(Br)c([C@@H](Cl)c2cc(Br)c(Cl)cc2C)cc1Cl 2202362777 DJESMBMSVAKDLB-HNNXBMFYSA-N 457.420 7.463 50 10 JKGE COc1c(Cl)cc(Br)cc1[C@@H](Cl)c1cccc(F)c1I 2202993076 RCHCGTGXIPAXPZ-LBPRGKRZSA-N 489.937 6.183 50 10 JKGE COc1c(Br)cc(C)cc1[C@@H](Br)c1cccc(Br)c1F 2203829803 LRVNETYPVJDAQD-ZDUSSCGKSA-N 466.970 6.152 50 10 JKGE Cc1sc(Br)c(C)c1[C@H](Br)c1cscc1OCc1ccccc1 2210561004 SDARMNHLDXGCBM-QGZVFWFLSA-N 472.267 7.252 50 10 JKGE Cc1sc(Br)cc1[C@@H](Br)c1c(C)sc(Br)c1C 2213645055 MXSKJDTZKAEUBD-LLVKDONJSA-N 459.066 6.744 50 10 JKGE CN(Cc1c(Br)sc2ccccc12)C[C@H](Br)COCc1ccccc1 2217924276 QMJKOJCKJPHTBC-INIZCTEOSA-N 483.269 6.076 50 10 JKGE Fc1cc(F)c([C@@H](Br)c2cscc2Br)c(F)c1Br 2220510928 RQUKNJMKYXFOFU-VIFPVBQESA-N 464.926 6.175 50 10 JKGE Cc1cc2nc(CCl)n(C[C@H]3CC3(Br)Br)c2cc1Br 2224801629 RPRUVILKGJIMCS-MRVPVSSYSA-N 471.418 5.352 50 10 JKGE Brc1ccc(Br)c([C@@H](Br)C2C[C@H]3CCC[C@H](C2)C3)c1 2225301489 MOJDLVKCUXZFSL-MMPTUQATSA-N 451.040 6.864 50 10 JKGE CC(C)(C)C1CC([C@H](Br)c2cc(Br)c(Br)cc2F)C1 2225616194 DEHGGGJKCLFAOQ-CTCYHXBNSA-N 457.019 6.859 50 10 JKGE Fc1cc(Br)c(Br)cc1[C@H](Br)[C@H]1CC[C@@H]1C(F)(F)F 2225619629 LKJAOVVXOMFXBY-DGVCYOPGSA-N 468.908 6.375 50 10 JKGE Fc1cc(Br)c(Br)cc1[C@H](Br)c1ccc(Cl)cc1Cl 2225633841 LSAQRXFGGHEAEN-CYBMUJFWSA-N 491.807 7.142 50 10 JKGE O=C(c1cc(Br)sc1Br)N1C[C@H](Br)CC12CCCC2 2232243357 NIWPGABBRMETFJ-MRVPVSSYSA-N 472.040 5.195 50 10 JKGE Clc1cc(Br)c([C@H](Br)C2C[C@H]3CCC[C@@H]3C2)c(Cl)c1Cl 2232513011 VUCBBSNQORJEHT-OTPXZMOZSA-N 461.452 7.672 50 10 JKGE Cc1c(Br)cccc1[C@@H](Cl)c1c(Br)cc(Cl)c(Cl)c1Cl 2232514032 SRICEEYMJHKWHZ-GFCCVEGCSA-N 477.838 7.808 50 10 JKGE Fc1cc(Br)cc2c1nc(CCCl)n2[C@H]1CCCN(Cc2ccccc2)C1 2232919989 OBUDXIKFHMVGFL-KRWDZBQOSA-N 450.783 5.556 50 10 JKGE Cc1sc([C@H](Br)c2scc(Br)c2C)c(Br)c1C 2246424108 MPUNNXVVXNTOMS-SNVBAGLBSA-N 459.066 6.744 50 10 JKGE Cl[C@H](c1c(Br)sc(Br)c1Br)[C@@H]1COC2(CCC2)C1 2257224853 SWRRXOPSDJBGBG-RCOVLWMOSA-N 479.459 6.275 50 10 JKGE FC(F)[C@@H]1CCC[C@H]1[C@@H](Br)c1c(Br)sc(Br)c1Cl 2257870275 UKGUFRWXMQYTOA-WYDQCIBASA-N 487.429 7.044 50 10 JKGE COc1ccc([C@H](Cl)c2cccc(Cl)c2Br)cc1I 2269555549 JHNUTKCIMKCAJH-AWEZNQCLSA-N 471.947 6.044 50 10 JKGE COc1cc([C@H](Br)c2cocc2Br)c(OC)cc1Br 2270484617 QXPXQYPLTQSMAH-ZDUSSCGKSA-N 454.940 5.306 50 10 JKGE Fc1cc(Br)c(F)c(Br)c1[C@@H](Br)C1(CC2CC2)CC1 2272729118 NRJZMPYJFPPYAF-CYBMUJFWSA-N 458.966 6.506 50 10 JKGE Fc1cc(Br)c(F)c(Br)c1[C@H](Br)[C@@H]1CC12CCCC2 2272734008 KWYUWLNTCQUVSA-WRWORJQWSA-N 458.966 6.506 50 10 JKGE COc1c([C@H](Br)c2ccc(OCc3ccccc3)cc2)cc(Br)c(C)c1C 2284525764 SJKFYEBSCNWKNT-JOCHJYFZSA-N 490.235 7.138 50 10 JKGE COc1c([C@@H](Br)c2cc(Br)oc2C)cc(Br)c(C)c1C 2284527122 YVFLFZPCSINERI-AWEZNQCLSA-N 466.995 6.223 50 10 JKGE CC(C)(C)C1CC([C@H](Br)c2c(F)cc(Br)c(F)c2Br)C1 2288357307 SHCWHAYJTLMKMJ-TYAJBCFHSA-N 475.009 6.998 50 10 JKGE Cc1cc(Br)c([C@H](Br)[C@@]23CCCC[C@H]2CC3)c(C)c1Br 2288973580 ZTIFYUPPNSCWQK-AFAVFJNCSA-N 465.067 7.235 50 10 JKGE FC(F)(F)[C@@H]1CCC[C@@H]1[C@@H](Br)Cc1cc(Br)cc(Br)c1 2295330242 SQSOLWWKMUXLCM-XQQFMLRXSA-N 478.972 6.496 50 10 JKGE Cc1cccc(NC(SCc2ccc(Cl)cc2)=C(C#N)S(=O)(=O)c2ccccc2)c1 2297350056 QVBVWQHSKNUVQU-UHFFFAOYSA-N 455.004 6.160 50 10 JKGE C[S@](=O)(=NC=C(C#N)C(=O)c1cccs1)c1ccc(OC(=O)c2ccc(Cl)cc2)cc1 2297564386 JOYIXMCEYUBVPS-WJOKGBTCSA-N 470.959 5.368 50 10 JKGE CC(C)C(C(C)C)[C@H](Br)c1cc(Br)ccc1OCc1ccccc1 2299497137 WQPUHNFCZXIYID-OAQYLSRUSA-N 454.246 7.392 50 10 JKGE Cn1nc(Br)c([C@H](Cl)c2ccc(OCc3ccccc3)cc2Br)n1 2299529531 COXUDEBTAPFNEP-OAHLLOKOSA-N 471.580 5.247 50 10 JKGE CCn1ncc(Br)c1[C@H](Cl)c1sc(Cl)cc1I 2300949725 PRZIUDHVCUFCJX-QMMMGPOBSA-N 465.969 5.313 50 10 JKGE Cc1c(CO[C@@](C)(CI)CNC(=O)OC(C)(C)C)ccc(Cl)c1Cl 2301412552 OHDXXVGPJXRHEO-KRWDZBQOSA-N 488.193 5.537 50 10 JKGE C=CCOc1c(I)cc(C=C(C#N)C(=O)Nc2ccccc2C)cc1OCC 2313518053 BDLHQKLXAGPURB-UHFFFAOYSA-N 488.325 5.109 50 10 JKGE COc1cccc(C=C(C#N)C(=O)Nc2cc([N+](=O)[O-])ccc2Cl)c1OCc1cccc(Cl)c1 2313670494 AVDSRLXAIKBDEO-UHFFFAOYSA-N 498.322 6.035 50 10 JKGE Cc1ccc(C)c(NC(=O)C(C#N)=Cc2c(Oc3ccc(F)cc3)nc3c(C)cccn3c2=O)c1 2314533182 PLOBVEGKQCLLHM-UHFFFAOYSA-N 468.488 5.097 50 10 JKGE Cc1ccc(NC(=O)C(C#N)=Cc2c(Oc3ccc(Cl)c(C)c3)nc3c(C)cccn3c2=O)cc1C 2314533975 VRHHUAREDOVFEY-UHFFFAOYSA-N 498.970 5.920 50 10 JKGE CCc1ccc(C[C@@H]2SC(=C(C#N)C(=O)Nc3cccc(C)c3)N(c3ccc(OC)cc3)C2=O)cc1 2314591984 IXKWYLDNPNEUTI-SANMLTNESA-N 497.620 5.631 50 10 JKGE COc1ccc(N2C(=O)[C@H](Cc3ccc(F)cc3)SC2=C(C#N)C(=O)Nc2ccc(C)cc2)cc1 2314592599 YJMLZPCYDIJBSA-DEOSSOPVSA-N 487.556 5.208 50 10 JKGE CC1=C(C#N)C(=O)N([C@@H](C)c2ccccc2)C(=O)C1=Cc1ccc(-c2ccccc2[N+](=O)[O-])o1 2314618466 OCDHYSOJGHKSBK-KRWDZBQOSA-N 453.454 5.208 50 10 JKGE CCCCCCCCOc1ccc(C=C2C(=O)N(C[C@H]3CCCO3)C(=O)C(C#N)=C2C)cc1OC 2314618493 ONCCDLLRZAWUKL-JOCHJYFZSA-N 480.605 5.206 50 10 JKGE COc1ccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)C=Cc4ccc(C(C)(C)C)cc4)ccc32)cc1 2314634260 PXPFPCGKQQEMAE-NDEPHWFRSA-N 480.564 5.830 50 10 JKGE CCCCCCOc1ccc(C=C(C#N)C(=O)Nc2sc3c(c2C(=O)OC)CCCC3)cc1OC 2314728868 OTQZSUIBKAAUDT-UHFFFAOYSA-N 496.629 5.927 50 10 JKGE CCCCOc1ccc(C=C(C#N)C(=O)Oc2ccc3cc(C(=O)N[C@@H](C)CC)c(=O)oc3c2)cc1 2314750952 GPQONZWSSBXUEB-SFHVURJKSA-N 488.540 5.013 50 10 JKGE CCCCCCOc1ccc(C=C(C#N)C(=O)Nc2nnc(SCCC)s2)cc1OC 2314792616 BKNVDZVRXTVYAF-UHFFFAOYSA-N 460.625 5.554 50 10 JKGE Cc1nc(Br)c([C@H](Cl)c2cc(Br)ccc2OCc2ccccc2)n1C 2315600331 QAKMGUASCBDMCF-QGZVFWFLSA-N 484.619 6.161 50 10 JKGE CO[C@@H]1C[C@H]([C@H](Br)c2sc(Cl)cc2I)C12CCC2 2316598066 ZLMOUARLPFTRPL-ZOFUNIGCSA-N 461.590 5.647 50 10 JKGE COc1sc([C@@H](Cl)c2c(Br)c(Br)nn2C)cc1Br 2316834881 VRNLVEREPMPYDY-SSDOTTSWSA-N 479.419 5.106 50 10 JKGE COc1ccccc1C(C#N)=Cc1ccc(OC(=O)C=Cc2ccc(Cl)cc2Cl)cc1 2320507306 NSEKTDVVQNGYAM-UHFFFAOYSA-N 450.321 6.685 50 10 JKGE CC(C)[C@@H]1C[C@H](Br)CN1Cc1ccc(I)c(Br)c1 2325213496 KRNIIUFQAMJXDM-FZMZJTMJSA-N 487.017 5.048 50 10 JKGE Fc1cc(OCc2sccc2I)cc(Cl)c1CBr 2326719216 RWKPLXVNFZNYLM-UHFFFAOYSA-N 461.521 5.619 50 10 JKGE CCc1cccc(CC)c1N1C[C@H](C(O)=C(C#N)c2nc(-c3ccc4c(c3)CCCC4)cs2)CC1=O 2331239878 NJVKZGRQVXAATB-XMMPIXPASA-N 497.664 6.659 50 10 JKGE COc1ccc(C=C(C(O)=C(C#N)c2nc(-c3ccc(OC)c(OC)c3)cs2)c2ccccc2)cc1 2331242621 UWXFIWXOHWXZRB-UHFFFAOYSA-N 496.588 6.869 50 10 JKGE N#CC(=C(O)[C@H]1CC(=O)N(Cc2ccccc2)C1)c1nc(-c2ccc(Oc3ccccc3)cc2)cs1 2331358737 IYGBLGBDNYFTLU-QFIPXVFZSA-N 493.588 6.444 50 10 JKGE COC(=O)c1c(NC(=O)C=Cc2ccc(OCc3ccccc3)cc2)sc(C(C)=CC#N)c1C 2331558803 DIWYXCJUGRDUNS-UHFFFAOYSA-N 472.566 6.001 50 10 JKGE Cc1cc([C@H](Br)c2cc(Br)ccc2OCc2ccccc2)c(F)cc1F 2336047875 PHTVEEIYGNUKBN-NRFANRHFSA-N 482.162 7.099 50 10 JKGE COc1cccc(C[C@H](Br)c2cc(Br)ccc2OCc2ccccc2)c1 2336074304 DSHHHMPYKCDZBC-NRFANRHFSA-N 476.208 6.715 50 10 JKGE Fc1c(Br)cc(Cl)cc1C[C@H](Br)c1cccc(Br)c1 2337155599 WESLNVXRHSLCKG-LBPRGKRZSA-N 471.389 6.683 50 10 JKGE Cc1cc(Br)c(F)c(Br)c1[C@H](Br)C1CCCCCC1 2339673768 DQACWSJTIHSKTE-CYBMUJFWSA-N 457.019 7.066 50 10 JKGE C[C@H](c1ccncc1F)[C@H](Br)c1cc(Br)ccc1Br 2344688532 DEYLYCVHOOQWSH-CLAHSXSESA-N 451.959 5.985 50 10 JKGE CC1(C)OCCO[C@@H]1[C@H](Br)c1c(F)cc(Cl)c(Br)c1Cl 2360426254 JZQDPJJCARDOLJ-ZYHUDNBSSA-N 450.957 5.525 50 10 JKGE Cc1cc(Br)c(F)c(Br)c1[C@H](Br)[C@@H]1C[C@H]2[C@@H](C1)C2(C)C 2365188677 NKSYRTIOBJZOGB-BSTOTGJRSA-N 469.030 6.777 50 10 JKGE COc1cc(Br)c(C)cc1[C@H](Cl)c1ccc(Cl)cc1I 2365598080 NMIYTIJBGIHFKN-OAHLLOKOSA-N 485.974 6.352 50 10 JKGE C[C@H]1C[C@H]2C[C@]([C@H](Br)c3c(Br)cc(Cl)c(Cl)c3Cl)(C2)O1 2368713391 OICHCIKHOOYNPY-CCBCZWRWSA-N 463.424 6.803 50 10 JKGE Cc1cc(Cl)c([C@H](Br)Cc2ccc(Br)cc2Cl)c(Cl)c1 2381269104 KVMKVFCBGMDMIM-LLVKDONJSA-N 457.420 7.396 50 10 JKGE CC(C)(C)Oc1ccc([C@H](Br)c2sccc2Br)cc1Br 2381312100 AWNPQGVZXHFRIO-ZDUSSCGKSA-N 483.063 6.935 50 10 JKGE FC(F)(F)CC1CCC([C@H](Br)c2cc(Br)c(Br)s2)CC1 2381979435 JJFIDHPZOPLLSM-AYVLWNQUSA-N 499.028 7.468 50 10 JKGE O=C(NN=Cc1cn(Cc2ccccc2)c2ccccc12)c1ccc(OC(F)(F)C(F)F)cc1 8399639 OGBHNKLDFOWGNC-UHFFFAOYSA-N 469.438 5.690 50 10 JKGE O=C(C=C(Sc1ccccc1)Sc1ccccc1)N/N=C/c1ccccc1OCc1ccccc1 21321025 FAATXUGEGYTYLR-MWAVMZGNSA-N 496.657 7.142 50 10 JKGE N#C/C(=C/c1cn(-c2ccccc2)nc1-c1ccc(Cl)cc1)c1nc(-c2ccccc2)cs1 34856955 KFKPSNGXCGGNGB-QNGOZBTKSA-N 464.981 7.380 50 10 JKGE N#C/C(=C/C1=C(N2CCOCC2)/C(=C\c2cccc([N+](=O)[O-])c2)CC1)c1nc2ccccc2s1 35315347 ZABSYIPSRRDTNB-NLCYHYBPSA-N 470.554 5.575 50 10 JKGE CCCOc1ccc(C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@@H]3c2ccccc2OCCC)cc1 38681563 GHDPLEVQJARNOI-HHHXNRCGSA-N 484.552 5.702 50 10 JKGE Cc1cc(Oc2nc3ccccn3c(=O)c2/C=C(/C#N)C(=O)Nc2ccccc2C)ccc1Cl 39858743 DADOMQUBCRLQLT-JXAWBTAJSA-N 470.916 5.303 50 10 JKGE CC(C)c1ccc(Nc2ncnc(NNC(=O)COc3ccc(Cl)cc3Cl)c2[N+](=O)[O-])cc1 40594731 VRYYUUPLBDHQEC-UHFFFAOYSA-N 491.335 5.081 50 10 JKGE Cc1c(C(=O)Oc2ccc(-c3ccc(C#N)cc3)cc2)oc2c1/C(=N/NC(=O)c1ccccc1)CCC2 40804265 OOEFBRSKWRJPSA-WGPBWIAQSA-N 489.531 5.816 50 10 JKGE COc1cc(/C=C(/C#N)C(=O)Nc2cccc(Cl)c2)ccc1OC(=O)c1ccc(Cl)cc1 59117102 FKUJXSJWRQSNJP-BOPFTXTBSA-N 467.308 5.767 50 10 JKGE CSc1cccc(N/C(SCc2ccc(C)cc2)=C(\C#N)S(=O)(=O)c2ccccc2)c1 96482162 JMGUZVQNAAMAMS-VHXPQNKSSA-N 466.653 6.229 50 10 JKGE Cc1cc(/C=C(/C#N)C(=O)c2cc(C)n(-c3ccc(OC(F)F)cc3)c2C)c(C)n1-c1ccccc1 96669632 YIWHPHKSHGZTLI-KQWNVCNZSA-N 485.534 6.893 50 10 JKGE Cc1cc(/C=C(/C#N)C(=O)Nc2cccc(Cl)c2)c(C)n1-c1cc(C(F)(F)F)ccc1Cl 97990588 WWXSUDJSZAMIAT-SXGWCWSVSA-N 478.301 6.965 50 10 JKGE CCCCCCCCCCCCCC(=O)NNC(=O)COc1ccc(Br)cc1 100443016 PZLOMUBZGHUGML-UHFFFAOYSA-N 455.437 5.676 50 10 JKGE C=CCNC(=O)/C(C#N)=C1\S[C@@H](Cc2ccc(Cl)c(Cl)c2)C(=O)N1c1ccc(CC)cc1 101241478 GSQOXRNJYCAOSL-JHGYQWQCSA-N 486.424 5.284 50 10 JKGE CC1=C(C#N)C(=O)N(Cc2ccccc2Cl)C(=O)/C1=C/c1ccc(-c2ccc(Cl)cc2Cl)o1 101340845 AHBGWYCPXYWMRG-YBFXNURJSA-N 497.765 6.699 50 10 JKGE Cc1cc(C)c(N/C(SCc2ccc(Cl)cc2)=C(\C#N)S(=O)(=O)c2ccccc2)c(C)c1 104689517 BUHBPFTXCXUGIU-BZZOAKBMSA-N 483.058 6.777 50 10 JKGE Cc1cc([C@@H](Br)c2cc(Br)c(Br)s2)c(Cl)cc1F 157303562 JBJNORSZNVLUBD-LLVKDONJSA-N 477.418 6.858 50 10 JKGE Brc1ccc(Br)c([C@@H](Br)c2cnn(-c3ccccc3)c2)c1 161088390 UJOHYHPIQZUFND-INIZCTEOSA-N 470.990 5.882 50 10 JKGE C=CCOc1ccc(-c2nn(-c3ccccc3)cc2/C=C2\C(=O)N(CC)C(=O)C(C#N)=C2C)cc1C 214209065 HRGYZXLFPLDFBQ-JLPGSUDCSA-N 478.552 5.025 50 10 JKGE Brc1ccc(I)c([C@H](Br)Cc2ccccc2)c1 232477636 AWALLOAZZSOKJI-CYBMUJFWSA-N 465.954 5.732 50 10 JKGE CCOc1ccc([C@H](Br)c2cccc(C)c2Br)cc1Br 233791804 OKDKUEOZNLDQJC-INIZCTEOSA-N 463.007 6.403 50 10 JKGE CC(=NNC(=O)c1ccc(Cl)cc1Cl)c1cccc(NC(=O)c2ccc(Cl)cc2Cl)c1 252616165 JYEULYYQJYPRKW-UHFFFAOYSA-N 495.193 6.707 50 10 JKGE O=C(N/N=C(\Cc1ccccc1)c1ccc(-c2ccccc2)cc1)c1ccccc1Br 253577786 XMFZWDZOVGCQOR-PBBVDAKRSA-N 469.382 6.493 50 10 JKGE CCc1ccc(C=NNC(=O)CSc2nnc(-c3ccc(OC)cc3)n2-c2ccc(C)cc2)cc1 254867309 FIKFTHFNWMMBJG-UHFFFAOYSA-N 485.613 5.056 50 10 JKGE Cc1cccc2c1nc(CCl)n2-c1ccc(I)c(Br)c1 380462205 ROSQYVKXCRQBIM-UHFFFAOYSA-N 461.528 5.440 50 10 JKGE C[C@@H](Cl)c1nc2cc(I)ccc2n1-c1ccccc1OCc1ccccc1 381160734 MWJPMMVVVPNPQV-OAHLLOKOSA-N 488.756 6.509 50 10 JKGE CC(C)(C)[Si](C)(C)OCCc1ccccc1[C@@H]1COCCN(S(=O)(=O)c2ccccc2)C1 616594147 NHCZWRHNUTZRRC-QFIPXVFZSA-N 475.727 5.056 50 10 JKGE Clc1ccc(Cl)c([C@@H](Br)c2scc(Br)c2Br)c1 705417867 HZQASVKGZGTQQF-SECBINFHSA-N 479.846 7.064 50 10 JKGE C[C@@H](Cl)c1nc2cc(Cl)ccc2n1CC1(N(Cc2ccccc2)Cc2ccccc2)COC1 705782906 KPQRJJOEOIUGPK-HXUWFJFHSA-N 480.439 6.461 50 10 JKGE CCOc1cc(C=NNC(=O)c2ccccc2OC)ccc1OCc1cccc2ccccc12 1084025192 FJBVXAXNKPOCFL-UHFFFAOYSA-N 454.526 5.590 50 10 JKGE O=C(NN=Cc1ccc(OCc2ccc(F)cc2)c(Br)c1)c1cc2ccccc2o1 1084191314 VMPULOQCIFWJTJ-UHFFFAOYSA-N 467.294 5.677 50 10 JKGE Cc1ccc(C)c(NC(=O)/C(C#N)=C\c2cc(Br)ccc2OCc2ccc(F)cc2)c1 1084303157 AFLLWHPBUYTPMB-NDENLUEZSA-N 479.349 6.330 50 10 JKGE CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(CC)cc2)ccc1OCc1c(Cl)cccc1Cl 1084446423 YZGSYEUMDULMGR-XSFVSMFZSA-N 495.406 7.079 50 10 JKGE C=CCc1cc(/C=C(\C#N)C(=O)Nc2cccc(Cl)c2Cl)cc(Br)c1OCC 1084524476 WZESUADLQROVDU-XNTDXEJSSA-N 480.189 6.429 50 10 JKGE CCCCCCCCCCCC[C@H](CCI)CCCCCCCCCC 1772502278 DKHBSHOVPGORSE-RUZDIDTESA-N 478.587 10.270 50 10 JKGE Cc1cccc(C(=O)NN=C2CCCc3oc(C(=O)Nc4nc5ccccc5s4)c(C)c32)c1 1772744991 PUOIGPREFXFJAU-UHFFFAOYSA-N 458.543 5.229 50 10 JKGE CCc1nn(Cc2c(F)cccc2Cl)c2c1[C@@H](c1ccc(Cl)cc1Cl)C(C#N)=C(N)O2 1865686171 RJYWMRJKZFRSBV-IBGZPJMESA-N 477.754 5.811 50 10 JKGE COc1cc([C@H]2C(C#N)=C(N)Oc3c2c(C)nn3-c2ccc(Cl)cc2)ccc1OCc1ccccc1 1865687695 YAOFGCICKFKGCR-SANMLTNESA-N 498.970 5.640 50 10 JKGE CCCOc1ccc([C@@H]2C(C#N)=C(N)Oc3c2c(-c2ccccc2)nn3-c2ccccn2)cc1OCC 1865691240 NOUGGLASTZYINH-RUZDIDTESA-N 493.567 5.340 50 10 JKGE Cc1ccc(COc2ccc([C@@H]3C(C#N)=C(N)Oc4c3c(C)nn4Cc3ccc(Cl)cc3)cc2)cc1 1865692190 BWXFTJIQCDVZSD-HHHXNRCGSA-N 496.998 5.999 50 10 JKGE CCCc1nn(-c2ccccn2)c2c1[C@H](c1ccc(OCc3ccc(C)cc3)cc1)C(C#N)=C(N)O2 1865693734 QQSKNLZSEXOMKU-AREMUKBSSA-N 477.568 5.325 50 10 JKGE CCc1nn(-c2ccc(Cl)cc2)c2c1[C@@H](c1ccc(OCc3ccc(C)cc3)cc1)C(C#N)=C(N)O2 1865694088 UFVDJHVNXXEYSJ-SANMLTNESA-N 496.998 6.194 50 10 JKGE CCCCCOc1ccc([C@H]2C(C#N)=C(N)Oc3c2c(C(F)(F)F)nn3-c2ccccc2)cc1OC 1865695174 LVQSOMZJJZPMOR-NRFANRHFSA-N 498.505 5.687 50 10 JKGE Cc1nn(-c2ccccc2)c2c1[C@H](c1c(OCc3ccccc3)ccc3ccccc13)C(C#N)=C(N)O2 1865704562 YUEJDLVEEFQQCS-GDLZYMKVSA-N 484.559 6.131 50 10 JKGE CCCc1nn(CCC)c2c1[C@@H](c1ccc(N(CC)Cc3ccccc3)cc1)C(C#N)=C(N)O2 1865706977 KHQLVMWNAULSSV-VWLOTQADSA-N 455.606 5.490 50 10 JKGE COC(=O)c1ccc([C@@H]2C(C#N)=C(N)Oc3c2c(-c2ccccc2)nn3Cc2cccc(Cl)c2)cc1 1865709008 LHWISFXNOGJBRT-HSZRJFAPSA-N 496.954 5.257 50 10 JKGE N#CC1=C(N)Oc2c(c(-c3ccccc3)nn2-c2ccc(Cl)cc2)[C@H]1c1ccccc1[N+](=O)[O-] 1865710312 VBWFFOYQGXYWSN-NRFANRHFSA-N 469.888 5.319 50 10 JKGE CC[C@H](NC(=O)C[C@@H](c1ccccc1)c1ccc(F)c(F)c1)C(=O)Nc1ccc(SC#N)cc1 1867132215 PWRRBAOIWLGDKB-URXFXBBRSA-N 479.552 5.593 50 10 JKGE COc1c(Cl)cc(-c2csc(/C(C#N)=C(\O)[C@@H]3CC(=O)N(C(C)C)C3)n2)cc1Cl 1872756421 ZRCRUDRIJXRKGA-XKORNODESA-N 452.363 5.175 50 10 JKGE COc1ccc(OCCC/C(O)=C(\C#N)c2nc(-c3ccc(OC)c4ccccc34)cs2)cc1 1872758910 WJCRZZRHWSODGE-BZZOAKBMSA-N 472.566 6.632 50 10 JKGE COc1ccc(OC)c(-c2csc(/C(C#N)=C/c3ccccc3OCc3ccc(Cl)cc3)n2)c1 1872791684 OTCIUHHLLQRGMZ-DEDYPNTBSA-N 488.996 7.124 50 10 JKGE COc1cccc([C@H](Br)c2sc(Br)cc2Br)c1F 1922895904 ALMVKFXGWANKBB-JTQLQIEISA-N 458.972 5.905 50 10 JKGE COc1ccccc1C[C@@H](Cl)c1c(Br)sc(Br)c1Br 1924596156 KAHOQHGWUJLPMK-MRVPVSSYSA-N 489.454 6.567 50 10 JKGE Cc1cc([C@H](Cl)c2c(Br)sc(Br)c2Br)cc(C)c1F 1924609295 VMPGLFCXHDERIA-JTQLQIEISA-N 491.445 7.120 50 10 JKGE Clc1ccc(Br)c([C@H](Cl)c2c(Cl)sc(Br)c2Cl)c1 1925588331 OIEXBRPGOADFAT-QMMMGPOBSA-N 469.840 7.562 50 10 JKGE O=C(N[C@H](CBr)CC1CCCC1)c1cc(Br)c(Br)s1 1926747330 YFJQKSQCMQCMCI-VIFPVBQESA-N 474.056 5.347 50 10 JKGE FC(F)C1CC(C[C@H](Br)c2c(Br)sc(Br)c2Cl)C1 1926950268 OCEYRPXTEUNVNR-WRVKLSGPSA-N 487.429 7.044 50 10 JKGE CC1(C)CC[C@]2(CCC[C@H](CI)O2)[C@@H](CNC(=O)OC(C)(C)C)C1 1927123661 YHAWPFFCFCHMKE-SPYBWZPUSA-N 451.389 5.080 50 10 JKGE Brc1cc([C@@H](Br)C2(Br)CC2)sc1Br 1953929562 UHKBISHHCMSKMR-ZCFIWIBFSA-N 453.819 5.637 50 10 JKGE O=C(Nc1c(Br)cc(Br)cc1Br)C1CC(Br)C1 2020151516 FKGIAIJQPSKLJD-UHFFFAOYSA-N 490.815 5.086 50 10 JKGE CC1(C)CN(Cc2ccccc2)CCN(c2ccc(CBr)c(Br)c2)C1 2033065667 WXAIDKMJCGKFNI-UHFFFAOYSA-N 466.261 5.692 50 10 JKGE Cn1nc([C@H](Br)c2cc(C3CC3)c(Br)s2)cc1Br 2033617997 CSQYPTNRKJUIQE-NSHDSACASA-N 455.013 5.368 50 10 JKGE Cc1cc2sc([C@@H](Br)c3sc(Br)cc3Br)cc2s1 2038895053 LCHYGERBWQENSX-LLVKDONJSA-N 487.101 7.342 50 10 JKGE Brc1csc([C@@H](Br)c2cc(Br)cc3c2OCC3)c1 2052438454 VOEQTAIOUKINQB-LBPRGKRZSA-N 452.993 5.692 50 10 JKGE C[C@H]1O[C@H](Sc2ccccc2)[C@H](O[Si](C)(C)C(C)(C)C)[C@H]1O[Si](C)(C)C(C)(C)C 2080608403 OFGJJVPXPJJODQ-GFOJFJKKSA-N 454.825 7.304 50 10 JKGE Cc1scc([C@@H](Br)c2ccc(Br)c(C)c2Br)c1C 2083318070 MLPYZHOWRONXNW-AWEZNQCLSA-N 453.037 6.683 50 10 JKGE Cc1ccc([C@H](Br)c2ccc(Br)cc2I)cc1C 2086149486 OKQIOPILHVUKOQ-HNNXBMFYSA-N 479.981 6.155 50 10 JKGE BrCC(CBr)(CCOc1cccc(Br)c1)C1CCC1 2089705198 MPTWAKYVBFJANB-UHFFFAOYSA-N 455.028 5.794 50 10 JKGE O=C(c1ccc(OC(F)(F)F)c(Cl)c1)N(CCCBr)Cc1ccccc1 2107098663 LMPKIDSUBUHPBT-UHFFFAOYSA-N 450.682 5.666 50 10 JKGE BrCCN(Cc1ccsc1)Cc1ccc(Br)cc1Br 2114659366 FAHSLCHIUVFVIU-UHFFFAOYSA-N 468.052 5.670 50 10 JKGE Cl[C@H](c1cc(Br)c2c(c1)CCCO2)c1cc(I)sn1 2120033316 RNNJYNRBABKVDM-GFCCVEGCSA-N 470.557 5.163 50 10 JKGE COc1c(Cl)cc(Br)cc1[C@H](Br)c1cc(Br)sc1C 2138256096 RQSCDRZFEXPEEI-GFCCVEGCSA-N 489.454 6.728 50 10 JKGE CCCN[C@@H](c1ccc(Br)c(C)c1Br)C1CC(Br)C1 2138872893 VFUATXNBSKOTCS-QKFMDRJYSA-N 454.044 5.734 50 10 JKGE FC(F)(F)c1ccc(-n2cnc(Cl)c2CBr)c(I)c1 2139269896 UHJJUYKQAKOZOK-UHFFFAOYSA-N 465.438 5.044 50 10 JKGE Cc1cc(Br)c([C@@H](Br)c2cccc(C3CC3)c2)cc1Br 2153894433 LJKSBILLSBKNNM-KRWDZBQOSA-N 459.019 6.882 50 10 JKGE Cc1cc(Br)c(CBr)c(N2CCC[C@H]2[C@@H]2CCN(Cc3ccccc3)C2)c1 2173447417 LUXBHKBTAUKWHF-KNQAVFIVSA-N 492.299 6.143 50 10 JKGE Cc1cc(Br)c(CBr)c(N2C[C@]3(C)CN(Cc4ccccc4)C[C@@]3(C)C2)c1 2173453210 PNKNNWOWRLREHB-GOTSBHOMSA-N 492.299 6.001 50 10 JKGE BrC[C@@]1(Cc2c(Br)cccc2Br)CCCCC12CCC2 2173619191 OKYSGROHLWBANJ-KRWDZBQOSA-N 465.067 6.880 50 10 JKGE CCc1ccc(CBr)cc1S(=O)(=O)N(Cc1ccccc1)[C@H](C)C(C)(C)C 2179861175 DCPOOOHFSZYPOV-QGZVFWFLSA-N 452.458 5.769 50 10 JKGE CC(C)(C)[C@@H]1[C@@H](Br)CCN1C(=O)c1cc(Br)ccc1Br 2185099664 JGXBTCSBBBKLPS-STQMWFEESA-N 468.027 5.236 50 10 JKGE COc1cc(C)c([C@@H](Br)c2nn(C)c(Cl)c2Br)cc1Br 2198730040 GUDZUDHGOZHUGU-SNVBAGLBSA-N 487.417 5.400 50 10 JKGE Cc1cc(Br)c(C)c([C@H](Br)c2cccc(F)c2F)c1Br 2201073016 XKPGDYPUOXUCCY-CQSZACIVSA-N 468.961 6.591 50 10 JKGE Cc1cc(Br)c(C)c([C@H](Cl)c2ccc(F)c(Br)c2)c1Br 2201078343 NBDIJGRGGHGXLD-OAHLLOKOSA-N 485.416 7.058 50 10 JKGE COc1c(Br)cc(C)cc1[C@@H](Br)c1ccc(F)c(Br)c1 2203829504 KAHFUPWBOJYWMU-AWEZNQCLSA-N 466.970 6.152 50 10 JKGE Clc1ccc(I)c([C@@H](Cl)c2ccc(-c3cccs3)s2)c1 2205862004 AATOCCQSNYZBGI-OAHLLOKOSA-N 451.181 7.063 50 10 JKGE Cc1cc(Br)c([C@H](Br)[C@@]2(Cl)CC2(C)C)c(C)c1Br 2222052119 GEWNGGACOPURBN-JSGCOSHPSA-N 459.447 6.672 50 10 JKGE CC(C)C[C@H](C(C)C)[C@H](Br)c1cc(Br)c(Br)cc1F 2225614885 AJTFJYLADJUXIY-BMIGLBTASA-N 459.035 7.105 50 10 JKGE Cc1c(Br)sc([C@H](Br)[C@H]2OCC[C@@H]2C(F)(F)F)c1Br 2231820085 HBGWPINNZHFOJN-ARDNSNSESA-N 486.973 5.985 50 10 JKGE C[C@@H]1CC[C@@](C)([C@H](Br)c2cc(Br)c(Br)cc2F)C1(C)C 2233977516 VQTFQJPOCNKQJV-BIZFCNDTSA-N 471.046 7.249 50 10 JKGE Cc1c(Br)csc1[C@H](Br)c1cc(Br)cc2c1O[C@@H](C)C2 2234515704 WXJKNNOPQMIAFE-WPPNPWJKSA-N 481.047 6.389 50 10 JKGE Cc1cc(Br)c([C@@H](Br)C2CC3(C2)CC3(C)C)c(C)c1Br 2235611096 UVLURYNYWPBBQD-XNYLIXPXSA-N 465.067 7.091 50 10 JKGE COc1c(Br)cc(Cl)cc1[C@H](Br)c1cocc1Br 2263451203 VIZDTQFNGTXZFK-NSHDSACASA-N 459.359 5.951 50 10 JKGE Brc1ccc(Br)c([C@@H](Br)C[C@@H]2CCCCC23CC3)c1 2264950102 XPXZDQOFXLHTEG-NHYWBVRUSA-N 451.040 7.008 50 10 JKGE BrCc1cc(Br)cc(Br)c1OC[C@@H]1CCC12CCC2 2266151591 FTHHCTKORLKBFR-NSHDSACASA-N 453.012 6.066 50 10 JKGE C=CC[C@]1(CBr)CCN(C(=O)c2scc(Br)c2Br)C1 2272174105 PFKGRAPHWUCIOS-CYBMUJFWSA-N 472.040 5.076 50 10 JKGE C[C@@]1([C@@H](Br)c2c(F)cc(Br)c(F)c2Br)CCCCO1 2272844020 BOQGGTPXWQIGSH-STQMWFEESA-N 462.954 5.885 50 10 JKGE Cc1cccc(Oc2cc(Br)cc(F)c2CCl)c1I 2277886439 AOJSNVHYZIAJTP-UHFFFAOYSA-N 455.492 6.032 50 10 JKGE Cc1ccc(F)c([C@@H](Br)Cc2cc(Br)cc(Br)c2)c1 2277960984 ODGIZVGTVPGYMZ-AWEZNQCLSA-N 450.971 6.338 50 10 JKGE O=C(NC[C@@H]1CCCC[C@H](Br)C1)c1ccc(Cl)c(I)c1 2283653172 CVBYZTGQPGILFR-PWSUYJOCSA-N 470.576 5.018 50 10 JKGE C[C@@H]1CCC[C@](CBr)(NC(=O)c2ccc(Cl)c(I)c2)C1 2283657762 VLLBJNTXCOXMOW-BMIGLBTASA-N 470.576 5.018 50 10 JKGE COc1ccc(Br)c2c1nc([C@H](C)Cl)n2[C@H](C)CN(C)Cc1ccccc1 2286086409 YUFGMGDQMRFMIZ-CABCVRRESA-N 450.808 5.800 50 10 JKGE Fc1cc(Br)c(F)c(Br)c1[C@@H](Br)[C@H]1CCCCC1(F)F 2288376797 QABGDQOOAWPUKB-LDWIPMOCSA-N 482.935 6.751 50 10 JKGE CCOc1cc(C=C(C#N)C(=O)NCCc2ccccc2)ccc1OCc1cccc(C(F)(F)F)c1 2295672250 GLJIUZQBSMEXAE-UHFFFAOYSA-N 494.513 5.949 50 10 JKGE N#CC(=CNc1cccc(Br)c1)c1nc(-c2ccc(Cl)c(Cl)c2)cs1 2295887875 VMYKAOKXHGJJQD-UHFFFAOYSA-N 451.176 6.856 50 10 JKGE COc1cccc(CSC(Nc2cccc(Cl)c2C)=C(C#N)S(=O)(=O)c2ccccc2)c1 2297349998 KRVOENAAJCKZIA-UHFFFAOYSA-N 485.030 6.169 50 10 JKGE CCOc1cc(C=C(C#N)c2nc(-c3cc4ccccc4oc3=O)cs2)ccc1OC(C)C 2297482017 KFUCJDNIBDWGSZ-UHFFFAOYSA-N 458.539 6.167 50 10 JKGE Cc1cccc(C2(c3cccc(C)c3)C[C@H]2C(=O)NN=Cc2ccccc2OCc2ccccc2)c1 2297507234 AZFFWTVODCIYSO-LJAQVGFWSA-N 474.604 6.339 50 10 JKGE Brc1cc(OCc2ccccc2)ccc1[C@@H](Br)[C@H]1C[C@H]2CC[C@H]1O2 2299501390 NTGDTIRBHURDRG-MCYKXBRJSA-N 452.186 6.032 50 10 JKGE Cn1cc([C@@H](Cl)c2ccc(OCc3ccccc3)cc2Br)c(Br)n1 2299521673 HUPCHKLMNHWNBG-KRWDZBQOSA-N 470.592 5.852 50 10 JKGE Cn1cnc(Br)c1[C@H](Cl)c1c(Br)sc(Br)c1Cl 2300266724 BCSAGVGALSIXBH-SCSAIBSYSA-N 483.838 5.751 50 10 JKGE CCCc1sc(Br)cc1[C@@H](Br)c1ccsc1Br 2300644849 FSHOGAYQUYKQJK-NSHDSACASA-N 459.066 6.771 50 10 JKGE O=C(N[C@@H](CCBr)COCc1ccccc1)c1ccc(Cl)c(Br)c1 2303547040 NGJUVHUTUZFOEJ-HNNXBMFYSA-N 475.608 5.203 50 10 JKGE COc1cc(C=C(C#N)C(=O)NCc2ccccc2)cc(Br)c1OCc1ccccc1 2313518716 PLKGHNGHMRXFIQ-UHFFFAOYSA-N 477.358 5.260 50 10 JKGE O=C(COc1ccc2ccccc2c1Br)NN=C(C=Cc1ccccc1)c1ccccc1 2313582539 PMTGAEUPTAVWOG-UHFFFAOYSA-N 485.381 6.215 50 10 JKGE N#CC(=Cc1ccc(OCc2ccc(Cl)cc2)cc1)C(=O)Nc1ccc(Cl)c(Cl)c1 2313630925 IBHRJISTFYYKHV-UHFFFAOYSA-N 457.744 6.771 50 10 JKGE CCCN[C@H](c1ccc(OCc2ccccc2)cc1Br)C1CC(Br)C1 2314452821 QRWLOWNRIUFZFF-BPZDKFOGSA-N 467.245 6.242 50 10 JKGE CC1=C(C#N)C(=O)N([C@@H](C)c2ccccc2)C(=O)C1=Cc1cn(-c2ccccc2)nc1-c1ccccc1 2314618608 QIFAXNGKKQWVPJ-QFIPXVFZSA-N 484.559 5.893 50 10 JKGE Fc1cc([C@@H](Br)c2sc(Cl)cc2I)c(F)cc1Cl 2316598959 KEWBSTSNUATCIG-SNVBAGLBSA-N 483.930 6.422 50 10 JKGE C[C@@H]1CC2CC([C@H](Cl)c3c(Br)sc(Br)c3Br)(C2)O1 2319569841 NSCKYNPKKUYSGI-YAMXRADNSA-N 479.459 6.273 50 10 JKGE Cc1cc(I)ccc1NC=C(C#N)C(=O)Nc1c(C)cccc1C(C)C 2324288335 BSFHUFGFJKUAPQ-UHFFFAOYSA-N 459.331 5.490 50 10 JKGE CCc1ccc(C(C)=CC(=O)N[C@H](C(=O)Nc2ccc(SC#N)cc2)c2ccccc2)cc1 2329510643 GCBYGYKVGJEKOD-SANMLTNESA-N 455.583 5.722 50 10 JKGE CCOC(=O)c1c(-c2ccc(F)cc2)csc1NC(=O)C(C#N)=Cc1ccc(OCCOC)cc1 2331123512 IYOHWDGBUOLNPC-UHFFFAOYSA-N 494.544 5.302 50 10 JKGE N#CC(=C(O)c1ccc2c(c1)C(=O)N(c1ccccc1Cl)C2=O)c1nc(-c2cccs2)cs1 2331326567 IUSTZTAARVZXED-UHFFFAOYSA-N 489.965 6.275 50 10 JKGE N#CC(=C(O)[C@H](Cc1ccccc1)N1C(=O)c2ccccc2C1=O)c1nc(-c2cccs2)cs1 2331327563 UBTUGSVVTPFIOM-NRFANRHFSA-N 483.574 5.572 50 10 JKGE COc1cc(-c2csc(C(C#N)=C(O)[C@H](C)Oc3ccc(C(C)C)cc3)n2)c(OC)cc1Cl 2331376852 CUDCEAULQVFGEG-HNNXBMFYSA-N 485.005 6.864 50 10 JKGE COc1ccc(C)cc1-c1csc(C(C#N)=Cc2cccc(OC)c2OCc2cccc(C)c2)n1 2331449384 UFXYMSFCPQHUEU-UHFFFAOYSA-N 482.605 7.087 50 10 JKGE CCOc1cc(C=C(C#N)c2nc(-c3ccc(OC)c(F)c3)cs2)cc(Br)c1O 2331454055 PSSKXEUPQGKBQE-UHFFFAOYSA-N 475.339 5.889 50 10 JKGE CCOc1c(Br)cc(C=C(C#N)c2nc(-c3ccc(F)c(F)c3)cs2)cc1OC 2331464101 YECDOHYCBRBSRO-UHFFFAOYSA-N 477.330 6.322 50 10 JKGE COc1ccc(-c2csc(C(C#N)=Cc3ccc(OC(=O)c4ccccc4)cc3)n2)c2ccccc12 2331489967 OPBNMZIPEBUYDQ-UHFFFAOYSA-N 488.568 7.255 50 10 JKGE Fc1c(Br)cc(Cl)c([C@H](Br)[C@H]2CCCC23CC3)c1Br 2337082752 PUYBYLZEIAXPBY-RDDDGLTNSA-N 475.421 7.020 50 10 JKGE CCCc1sc(Br)cc1[C@@H](Br)c1cc(Br)ccc1F 2338023943 NKCIHPSOVPKIEO-AWEZNQCLSA-N 471.027 6.849 50 10 JKGE CCC1CC(C[C@@H](Br)c2c(C)cc(Br)c(F)c2Br)C1 2339683421 CULHXYSPOPTCEV-VQXHTEKXSA-N 457.019 6.921 50 10 JKGE CC(C)(C)OC(=O)N1C[C@H](OCC2CCC(CC(F)(F)F)CC2)[C@H](I)C1 2353238441 KRWYZCPNJCPATJ-CVSAEHQPSA-N 491.332 5.185 50 10 JKGE Fc1c(Br)cc(Cl)c([C@H](Cl)C2(C(F)(F)F)CCC2)c1Br 2362237507 RXPOPYBCTAYZBB-JTQLQIEISA-N 458.902 7.017 50 10 JKGE Cc1c(Br)sc([C@H](Cl)[C@]23CO[C@](C(F)(F)F)(C2)C3)c1Br 2363839830 YCHVPVDCRONVOF-LSJOCFKGSA-N 454.533 5.973 50 10 JKGE CC(C)[C@@H](Br)C(C)(C)CN(C)C(=O)c1scc(Br)c1Br 2365905822 TYTANFRPCOMYDN-GFCCVEGCSA-N 490.099 5.791 50 10 JKGE CCOc1ccc([C@H](Cl)c2cc(Br)ccc2I)c(F)c1 2367470607 VLDMHNJWYPORNX-HNNXBMFYSA-N 469.519 5.920 50 10 JKGE O=C(c1csc(Br)c1Br)N1CCC[C@@H](Cl)[C@H]1C(F)(F)F 2370263426 DTUWTFQLIVRXRY-SVRRBLITSA-N 455.521 5.047 50 10 JKGE FC(F)(F)[C@H]1[C@@H](Br)CCCN1Cc1cc(I)ccc1Cl 2380514604 FJGQWDDLTMRAFN-CMPLNLGQSA-N 482.509 5.235 50 10 JKGE COc1cc(/C=C(\C#N)c2nc3cc(C)c(C)cc3[nH]2)ccc1OC(=O)C12CC3CC(CC(C3)C1)C2 9235557 RWDRHAZFWPGPLL-FOKLQQMPSA-N 481.596 6.374 50 10 JKGE Cc1ccc(-c2n[nH]c3c2[C@@H](c2ccccc2OCc2ccc(F)cc2)C(C#N)=C(N)O3)cc1 10013822 JSKUACBZQJWQOD-QHCPKHFHSA-N 452.489 5.321 50 10 JKGE N#C/C(C(=O)Nc1ccccc1F)=C1\S[C@H](Cc2ccc(F)cc2)C(=O)N1c1ccccc1 13564434 PTMOFHADHKTRBU-UDXHRHDRSA-N 461.493 5.030 50 10 JKGE N#C/C(=C\c1ccc(-c2ccc(Cl)c(Cl)c2)o1)c1nc(-c2cccc3ccccc23)cs1 28356628 GFTFEZSADWANOG-LDADJPATSA-N 473.384 8.594 50 10 JKGE COc1cccc(/C=N/NC(=O)CSc2nc3ccccc3s2)c1OCc1ccccc1F 32520791 DXNXMLMHLIAWHR-LGJNPRDNSA-N 481.574 5.265 50 10 JKGE Cn1c(/C(C#N)=C/c2c(Oc3ccc(Cl)cc3Cl)nc3ccccn3c2=O)nc2ccccc21 35549911 QHSMKXCXGRYREC-NTCAYCPXSA-N 488.334 5.744 50 10 JKGE CC1=C(C#N)C(=O)N(CC(C)C)C(=O)/C1=C/c1cn(-c2ccccc2)nc1-c1cc(C)ccc1C 38605481 IXICQWAZABVGTE-AFUMVMLFSA-N 464.569 5.404 50 10 JKGE N#CC1=C(N)Oc2cc(OC(=O)Cc3cccc4ccccc34)ccc2[C@@H]1c1ccc(F)cc1 38652868 PIBSWUBXUPTSHG-MHZLTWQESA-N 450.469 5.345 50 10 JKGE N#C/C(=C\c1ccc(-c2ccc(Cl)cc2Cl)o1)c1nc(-c2ccc3ccccc3c2)cs1 39884993 NUAYCZUWTAFMJV-XDHOZWIPSA-N 473.384 8.594 50 10 JKGE CCOc1ccc([C@@H](O)CCC(=O)N/N=C\c2c(C)n(Cc3ccccc3)c3ccccc23)cc1 58893633 DZOSKJAMWASVPA-NQWDTQFISA-N 469.585 5.361 50 10 JKGE CCCCCOc1ccccc1C(=O)N/N=C/c1ccc(Oc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])cc1 59147644 NTXMJUIBBAMUTI-YZSQISJMSA-N 492.488 5.628 50 10 JKGE C=CCc1cc(/C=N/NC(=O)c2cc3ccccc3o2)cc(OC)c1OCc1cccc(F)c1 59305352 FRUVMSGVBYSMBY-MUFRIFMGSA-N 458.489 5.652 50 10 JKGE Brc1ccc([C@H](Br)c2ccccc2I)cc1 71094606 GOWZWDWZHLBXEN-ZDUSSCGKSA-N 451.927 5.538 50 10 JKGE Brc1cc([C@H](Br)[C@@H]2CCCc3ccccc32)c(Br)s1 109870173 UMSBYOFXQXKCEA-BXUZGUMPSA-N 465.048 6.829 50 10 JKGE CCOc1ccc([C@H](Br)c2cccc(I)c2)c(Br)c1 126707729 QOKHOZBEECEFSQ-OAHLLOKOSA-N 495.980 5.937 50 10 JKGE COc1ccc([C@H](Br)c2cc(Br)c(Br)s2)c2ccccc12 128546869 SKOKBHQSWMIUEG-HNNXBMFYSA-N 491.042 6.919 50 10 JKGE CCc1ccc(CC)c([C@@H](Br)c2cc(Br)c(Br)s2)c1 128872523 BYTNPTMWHNGBQQ-CQSZACIVSA-N 467.064 6.882 50 10 JKGE COc1cc(C)c(Br)cc1[C@@H](Br)c1cccc(F)c1Br 156124725 RRHYYLPBUCPLLD-AWEZNQCLSA-N 466.970 6.152 50 10 JKGE COc1cc(CCl)cc(Br)c1OCc1ccc(Br)cc1Cl 168182187 DPLAZFRVZLKYKV-UHFFFAOYSA-N 454.973 6.191 50 10 JKGE COc1cc(/C=C(/C#N)c2nc3ccccc3[nH]2)cc([N+](=O)[O-])c1OCc1cc(C)ccc1C 169939603 ZTUQGPHHKMQNAP-ODLFYWEKSA-N 454.486 5.740 50 10 JKGE FC(F)(F)c1cc(Br)ccc1[C@@H](Br)c1cc(Cl)sc1Cl 229518344 WILFLUGHXJOUNK-SNVBAGLBSA-N 468.947 7.321 50 10 JKGE CCOc1ccc(Br)cc1[C@H](Cl)c1ccc(F)cc1I 233785612 IKRDYZDSDBZDJN-OAHLLOKOSA-N 469.519 5.920 50 10 JKGE CCOc1ccc([C@H](Br)c2cc(I)ccc2Br)cc1 233790838 VYXJBRYFGXJZAN-HNNXBMFYSA-N 495.980 5.937 50 10 JKGE O=C(CCCCCCCCC(=O)NN=C/C=C/c1ccccc1)NN=C/C=C\c1ccccc1 254301829 IBOICUQGFBVZEM-DJWYYKKOSA-N 458.606 5.738 50 10 JKGE CC[C@H](C)c1ccc(OCC(=O)NN=Cc2cc(N=Nc3ccc(C)c(C)c3)ccc2O)cc1 254448078 CGQBSKDUEIFXKD-SFHVURJKSA-N 458.562 6.467 50 10 JKGE CCCOc1ccc(C=NNC(=O)c2ccc([C@H]3SCC(=O)N3Cc3ccccc3)cc2)cc1 254817193 RTEOUQDYTDLWER-HHHXNRCGSA-N 473.598 5.014 50 10 JKGE Cc1ccc([C@@H]2CN(C(=O)OCc3ccccc3)C[C@@H]2CBr)cc1Br 382716742 KXTOKDVPMDOADD-ROUUACIJSA-N 467.201 5.505 50 10 JKGE Cc1ccc(Cl)cc1[C@H](Br)c1cc(I)cc2c1OCC2 383237154 SCFAOODXIOZJHO-HNNXBMFYSA-N 463.540 5.672 50 10 JKGE COc1cccc([C@H](Br)c2cc(Br)c(Br)s2)c1F 397455727 JVWKDVHGDLQJCU-JTQLQIEISA-N 458.972 5.905 50 10 JKGE ClC[C@H](Cc1cccc(Br)c1)Cc1cc(Cl)ccc1I 405545170 VTLWSBLELPYDJX-GFCCVEGCSA-N 484.002 6.347 50 10 JKGE CC(C)(C)OC(=O)NCCN1CC[C@H](c2cccc(CO[Si](C)(C)C(C)(C)C)c2)c2ccccc21 616589169 QNYIGJADTWDQGU-XMMPIXPASA-N 496.768 7.075 50 10 JKGE C[C@@H]1CN(Cc2ccccc2)C[C@@H]1n1c(CCCl)nc2ccc(F)c(Br)c21 689747015 WZSYZEPTBVAGIG-KDOFPFPSSA-N 450.783 5.412 50 10 JKGE Cl[C@@H](c1cc(Br)sc1Br)c1ncsc1Br 698610142 MISCVLKKIOUTCD-YFKPBYRVSA-N 452.418 5.820 50 10 JKGE CO[C@@](C)(COCc1ccccc1)Cn1c([C@H](C)Cl)nc2cccc(Br)c21 702790055 NBWYEDJHPDBBMH-YCRPNKLZSA-N 451.792 5.721 50 10 JKGE O=C(c1scc(Br)c1Br)N1CCCCC[C@H]1CBr 705408462 IBAGPNDQGWSFMD-QMMMGPOBSA-N 460.029 5.053 50 10 JKGE COc1ccc(Br)cc1[C@@H](Br)c1sc(C)c(Br)c1C 724913905 IBGWIKJGRWPUEO-CYBMUJFWSA-N 469.036 6.383 50 10 JKGE CC(C)(C)OC(=O)N1C[C@@H](CI)[C@@H](c2ccc(C(F)(F)F)cc2F)C1 1614627462 LTNQZVSUTASUSH-MFKMUULPSA-N 473.248 5.230 50 10 JKGE Cc1ccc(NC(=O)c2oc3c(c2C)C(=NNC(=O)c2ccccc2F)CCC3)c(Br)c1 1772744113 QEOVPKAQQKWZCX-UHFFFAOYSA-N 498.352 5.521 50 10 JKGE N#CC1=C(N)Oc2c(c(-c3ccccc3)nn2-c2ccc(Cl)c(Cl)c2)[C@H]1c1ccc(O)c(O)c1 1865680638 QQAQYHOPGPJUNZ-NRFANRHFSA-N 491.334 5.475 50 10 JKGE N#CC1=C(N)Oc2c(c(-c3ccccc3)nn2-c2cccc(Cl)c2)[C@H]1c1ccccc1Cl 1865686294 UEOQUFHDHNIUAU-NRFANRHFSA-N 459.336 6.064 50 10 JKGE CCCc1nn(Cc2cccc(F)c2)c2c1[C@@H](c1ccc(Cl)cc1Cl)C(C#N)=C(N)O2 1865686394 VBUCJAGHHHTLCW-FQEVSTJZSA-N 457.336 5.548 50 10 JKGE CCOc1ccc([C@H]2C(C#N)=C(N)Oc3c2c(C(F)(F)F)nn3Cc2cc(C)ccc2C)cc1 1865692420 BIXGAJNJJFXPBX-FQEVSTJZSA-N 468.479 5.184 50 10 JKGE CCCOc1cccc([C@H]2C(C#N)=C(N)Oc3c2c(C(F)(F)F)nn3Cc2ccc(Cl)cc2)c1 1865693514 KGCOQFBWTIUJAE-IBGZPJMESA-N 488.897 5.611 50 10 JKGE CCCc1nn(Cc2cc(C)ccc2C)c2c1[C@H](c1ccc(OCC)c(OC)c1)C(C#N)=C(N)O2 1865694730 AESBEWWOGLZIFR-RUZDIDTESA-N 472.589 5.126 50 10 JKGE N#CC1=C(N)Oc2c(c(-c3ccccc3)nn2-c2ccc(Br)cc2)[C@@H]1c1ccc(F)cc1 1865708493 YDKJXBLLTGJLLN-OAQYLSRUSA-N 487.332 5.659 50 10 JKGE CC(C)(NC(=O)CC(c1ccc(F)cc1)c1ccc(F)cc1)C(=O)Nc1ccc(SC#N)cc1 1866779291 NKRNLWSMYMVEGI-UHFFFAOYSA-N 479.552 5.593 50 10 JKGE COc1ccc(/C=C2\Oc3cc(OCc4ccc(CCl)cc4)cc(C)c3C2=O)c(OC)c1OC 1871436851 STWUDQSUZINOLC-FMCGGJTJSA-N 480.944 5.955 50 10 JKGE N#C/C(=C(O)\C=C\c1ccc(OCc2ccccc2Cl)cc1)c1nc(-c2cccs2)cs1 1872751007 WMBSROMFRXBOEW-ZNUJTTIKSA-N 477.010 7.610 50 10 JKGE COc1ccc(C(C)(C)C)cc1-c1csc(/C(C#N)=C(\O)CCCOc2ccccc2Cl)n1 1872751853 XDTKWHHINWSQRH-QOCHGBHMSA-N 483.033 7.421 50 10 JKGE COc1ccc(OC/C(O)=C(\C#N)c2nc(-c3cc(Cl)ccc3OC)cs2)c(C(C)(C)C)c1 1872758856 UFORNJPRWNPBRK-UZYVYHOESA-N 485.005 6.650 50 10 JKGE CCCOc1ccc(-c2csc(/C(C#N)=C(O)/C=C/c3cccc([N+](=O)[O-])c3)n2)cc1OCCC 1872818218 SKLZHFNNNMGSCI-WXXFPUKGSA-N 491.569 6.802 50 10 JKGE Cc1sc([C@@H](Cl)c2sc(Cl)cc2I)cc1Br 1901024398 VUTABMDZBYSLQH-SECBINFHSA-N 468.006 6.467 50 10 JKGE Clc1cc(Br)c([C@@H](Br)c2cc(I)sn2)s1 1909862499 BICNETWDSVQNPQ-ZETCQYMHSA-N 499.418 5.709 50 10 JKGE CC[C@@H](Br)CN(Cc1ccccc1)C(=O)Cc1ccc(Br)cc1F 1915106246 NHRWPHIMAMWUEF-MRXNPFEDSA-N 457.181 5.333 50 10 JKGE O=C(c1ccc(Br)c(Cl)c1)N(Cc1ccccc1)[C@@H](CBr)C1CC1 1915315995 ZTQRLAYZLIIFRZ-SFHVURJKSA-N 471.620 5.918 50 10 JKGE Fc1ccc(F)c([C@H](Br)c2sc(Br)cc2Br)c1F 1922883452 OYAJIMUGPSTSOQ-VIFPVBQESA-N 464.926 6.175 50 10 JKGE CCc1ccc([C@H](Br)c2sc(Br)c(C)c2Br)cc1 1922946384 QOBXIHWPSZMXPL-LBPRGKRZSA-N 453.037 6.628 50 10 JKGE Cc1c(Br)sc([C@H](Br)c2cccc(Cl)c2F)c1Br 1922953749 HFLJXXHWDFXBIR-SECBINFHSA-N 477.418 6.858 50 10 JKGE CC(C)(C1CC1)[C@H](Br)c1c(Br)sc(Br)c1Cl 1923065401 BRHQSPXJLWYXGR-MRVPVSSYSA-N 451.449 6.799 50 10 JKGE Cc1ccc(C)c([C@@H](Cl)c2c(Br)sc(Br)c2Br)c1 1924584832 CVLNPEDRJGQFJV-LLVKDONJSA-N 473.455 6.981 50 10 JKGE Clc1ccc([C@@H](Br)Cc2ncccc2Br)c(Br)c1 1924861334 NYCJTCKMIRIEAX-LBPRGKRZSA-N 454.387 5.939 50 10 JKGE ClCc1nc2cc(I)ccc2n1[C@H]1CC[C@H]1OCc1ccccc1 1950410614 ZPPCQSCGOZSGHD-ZWKOTPCHSA-N 452.723 5.300 50 10 JKGE CCCOc1ccc(S(=O)(=O)N(Cc2ccccc2)Cc2ccccc2)cc1CBr 1984637775 NBVRCMBYOMEVMS-UHFFFAOYSA-N 488.447 5.761 50 10 JKGE C[C@H](CCCCCI)NC(=O)c1cscc1OCc1ccccc1 2006112729 KPIXFQQMQGEPNH-OAHLLOKOSA-N 457.377 5.441 50 10 JKGE CCC1CC(C[C@@H](Cl)c2c(Br)sc(Br)c2Br)C1 2025343501 IMLIIZOBFSWOQR-KAVNDROISA-N 465.476 7.142 50 10 JKGE CS(=O)(=O)c1csc([C@@H](Br)c2cc(Br)c(Br)s2)c1 2032178070 LIYTZPGPTABZLD-SECBINFHSA-N 495.077 5.222 50 10 JKGE CC[C@H]1CN(C[C@H](CBr)C2CCC2)[C@H](CC)CN1C(=O)OCc1ccccc1 2044626407 HFGAGUZVORKEEO-BDTNDASRSA-N 451.449 5.309 50 10 JKGE Cc1c(Br)cc(CBr)cc1S(=O)(=O)N(Cc1ccccc1)C1CCC1 2059287138 UFPVCXQGADKIRZ-UHFFFAOYSA-N 487.257 5.396 50 10 JKGE COCc1ccc([C@@H](Br)c2cc(Br)sc2Br)cc1 2071270228 JZQGVEGZTWGJCJ-GFCCVEGCSA-N 455.009 5.904 50 10 JKGE Cc1cc(Cl)c(Br)cc1[C@@H](Br)c1cnn(C)c1Br 2082378891 DZVIHYDVSDQCPZ-LLVKDONJSA-N 457.391 5.391 50 10 JKGE COc1cc(Br)c(C)cc1[C@@H](Br)c1ccc(I)cc1 2089725307 LQALCQUTJKBNPO-HNNXBMFYSA-N 495.980 5.855 50 10 JKGE COc1ccc(Cl)cc1[C@@H](Br)c1cccc(Br)c1Br 2092329163 SPNWXEWACUOJDM-ZDUSSCGKSA-N 469.398 6.358 50 10 JKGE C[C@@H]1CCC[C@](CBr)(Cc2ccc(Br)cc2Br)CC1 2100845754 QPEYIBRCSOPFCT-MLGOLLRUSA-N 453.056 6.736 50 10 JKGE Fc1c(C[C@H](Br)c2ccccc2Br)ccc(Cl)c1Br 2113444710 OOBAOMZMISDIEV-NSHDSACASA-N 471.389 6.683 50 10 JKGE Cc1cc(Br)c(C)c([C@H](Br)[C@H]2C[C@@]23CCOC3)c1Br 2136373267 ZKGDFVCBNZPLCW-VCTAVGKDSA-N 453.012 5.691 50 10 JKGE COc1cc(F)c([C@@H](Br)c2cccc(I)c2)cc1Br 2138162384 UBYNSEGCGOZDKK-AWEZNQCLSA-N 499.943 5.686 50 10 JKGE O=C(NC[C@@H](Br)c1ccccc1)c1cccc(Br)c1Br 2148769001 IEPULWHHMRZFDC-CYBMUJFWSA-N 461.979 5.078 50 10 JKGE C[C@@H]1CC[C@@H](CCC(CBr)(CBr)c2cccc(Br)c2)O1 2161109057 BBFXNSYTHAQLOH-DOMZBBRYSA-N 469.055 5.824 50 10 JKGE C[C@H](c1cccs1)N(Cc1ccccc1)S(=O)(=O)c1ccc(CBr)cc1Cl 2179791326 PVUJTJXZHLUFOK-OAHLLOKOSA-N 484.868 6.249 50 10 JKGE CC(F)(F)c1ccc([C@H](Br)c2cc(Br)ccc2Br)cc1 2184810191 FISDCJHRARKISA-AWEZNQCLSA-N 468.961 6.808 50 10 JKGE Cc1nn(C)c([C@@H](Cl)c2scc(C(F)(F)F)c2Br)c1Br 2192372170 CQVVSAORNRMIDF-MRVPVSSYSA-N 452.521 5.662 50 10 JKGE Cc1cc(Br)c(C)c([C@H](Br)C[C@H]2CCCC2(F)F)c1Br 2201065726 SXVDHHQYRQVZHL-ZYHUDNBSSA-N 475.009 7.090 50 10 JKGE ClCc1nc2cc(I)ccc2n1C[C@]12CC[C@@H]1CN(Cc1ccccc1)C2 2201228024 ILKHAJOHNRYYGG-VGOFRKELSA-N 491.804 5.292 50 10 JKGE CSc1ccc([C@@H](Br)c2cc(Br)c(Br)cc2F)cc1 2225616682 IFEZMASCNRBRTJ-CQSZACIVSA-N 469.011 6.557 50 10 JKGE CC1(C)CCC[C@@H]([C@H](Br)c2cc(Br)c(Br)cc2F)C1 2225618253 YLBLBYHDDOLEMH-OTYXRUKQSA-N 457.019 7.003 50 10 JKGE Fc1cccc(F)c1[C@H](Br)c1c(Br)cc(Cl)c(Cl)c1Cl 2232509582 DAMAKHOZACYOGP-LLVKDONJSA-N 465.346 7.172 50 10 JKGE Cc1ccc([C@@H](Cl)c2c(Br)cc(Cl)c(Cl)c2Cl)cc1Br 2232513262 QKKVNVNIKZNIGZ-GFCCVEGCSA-N 477.838 7.808 50 10 JKGE CCOCc1cc(Br)c([C@H](Br)c2cc3sccc3s2)s1 2233016907 LWBVGGOVMVAOJM-CYBMUJFWSA-N 452.258 6.808 50 10 JKGE COC1(C(F)(F)[C@H](Br)c2cc(Br)c(Br)cc2F)CCC1 2233981781 NDXVGLDTLXIYCI-LLVKDONJSA-N 480.944 5.991 50 10 JKGE O=C(c1cc(Br)cc(Br)c1)N1CCC[C@H](CCCBr)C1 2234182755 UKKPDQFQGZTSDD-NSHDSACASA-N 468.027 5.239 50 10 JKGE O=C(c1cccc(Br)c1Br)N1CCC[C@@H](CCCBr)C1 2234187978 BEEFBXUXEQKPKI-LLVKDONJSA-N 468.027 5.239 50 10 JKGE Cc1cc(F)cc([C@@H](Br)c2c(Br)cc(C)c(Br)c2C)c1 2235601857 BKXUTTLOBLAFLY-MRXNPFEDSA-N 464.998 6.760 50 10 JKGE Cl[C@@H](Cc1cc(Br)cc(Br)c1)c1nscc1Br 2252837320 NOUFFLWQCYMDCI-JTQLQIEISA-N 460.416 5.953 50 10 JKGE Cc1cc(Br)c([C@H](Br)c2cc(Br)c(F)cc2Cl)s1 2258114092 PROXNRZIZIVXQR-LLVKDONJSA-N 477.418 6.858 50 10 JKGE C[C@H](Br)CN(C(=O)c1cc(Br)c(Br)s1)C1CCC1 2259769463 LECNDIKRYSXSDT-ZETCQYMHSA-N 460.029 5.051 50 10 JKGE COc1ccc([C@@H](Cl)Cc2ccccc2Br)cc1I 2269551381 YKBQXQXHNVHWMG-ZDUSSCGKSA-N 451.529 5.585 50 10 JKGE COc1ccc([C@H](Br)c2c(F)cccc2Br)cc1I 2269556134 LSWGKIXHVRZRKJ-AWEZNQCLSA-N 499.943 5.686 50 10 JKGE COc1cc(C)c(Br)c(C)c1[C@@H](Br)c1sncc1Br 2269602985 FPUQPHAENAJAHO-GFCCVEGCSA-N 470.024 5.778 50 10 JKGE CCC1([C@H](Br)c2c(F)cc(Br)c(F)c2Br)CCCC1 2272741976 WTGVITAXNPUNGI-CYBMUJFWSA-N 460.982 6.896 50 10 JKGE Cc1cc(C(F)(F)F)sc1C(=O)N(C)C[C@@H](Br)COCc1ccccc1 2277662774 AIVQFTMVOXXSCU-CQSZACIVSA-N 450.320 5.128 50 10 JKGE FC(F)(F)[C@@H]1C[C@@H]1C[C@@H](Br)Cc1cc(Br)cc(Br)c1 2277957560 VOHUYUYUHBPXJG-HOTUBEGUSA-N 464.945 6.106 50 10 JKGE Cc1cc(Br)c([C@H](Br)c2cc(Cl)cc(Br)c2)c(C)c1F 2279147786 YNZKEVSACDWLSK-CQSZACIVSA-N 485.416 7.105 50 10 JKGE Cc1cc(Br)c([C@@H](Br)c2ccc(Br)cc2Cl)c(C)c1F 2279157976 RRUJTMADHPBNMG-AWEZNQCLSA-N 485.416 7.105 50 10 JKGE Cc1cc(C)c([C@@H](Br)c2cccc(Cl)c2Br)c(C)c1Br 2283198062 PBFVUVBSBUONIS-INIZCTEOSA-N 481.453 7.275 50 10 JKGE Fc1cc(Br)c(F)c(Br)c1[C@@H](Br)C1CC2(C1)CC2(F)F 2288349538 QUKJKLHBJMGCJX-MFOBGVTRSA-N 480.919 6.361 50 10 JKGE Fc1cc(Br)c(F)c(Br)c1[C@H](Br)C1[C@@H]2CCCCC[C@@H]12 2288351876 DVEHMOOQOAULLG-OTPXZMOZSA-N 472.993 6.752 50 10 JKGE COc1c(Br)cc(Cl)c(C)c1[C@@H](Br)c1cc(Cl)c(Cl)s1 2295265354 QIMBXPFRWUAQJT-NSHDSACASA-N 479.448 7.272 50 10 JKGE Cc1cccn2c(=O)c(C=C(C#N)S(=O)(=O)c3ccccc3)c(Oc3ccc(C(C)(C)C)cc3)nc12 2296720233 CEYDUGDCYHPWKR-UHFFFAOYSA-N 499.592 5.431 50 10 JKGE CCNC(=O)C(C#N)=Cc1cn(-c2ccccc2)nc1-c1ccc(OCc2ccc(Cl)cc2)cc1 2296730347 ZAOUINRYPNNQIE-UHFFFAOYSA-N 482.971 5.815 50 10 JKGE Cc1cccc(C[C@@H]2SC(=C(C#N)C(=O)Nc3ccccc3)N(c3ccc(F)cc3)C2=O)c1 2296834797 BWCHIACLJKCYLW-QHCPKHFHSA-N 457.530 5.199 50 10 JKGE CC(C)c1ccc(NC(=O)C(C#N)=Cc2cn(-c3ccccc3)nc2-c2ccc(Cl)cc2)cc1 2314489854 VYKJZSINTLHYLQ-UHFFFAOYSA-N 466.972 6.862 50 10 JKGE CCCCOc1ccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)C=Cc4ccccc4)ccc32)cc1 2314634066 IUZKZBMPLFQWBJ-NDEPHWFRSA-N 466.537 5.702 50 10 JKGE COc1cccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)C=Cc4ccccc4Cl)ccc32)c1OC 2314634619 PJXULCCEYMNHTJ-RUZDIDTESA-N 488.927 5.194 50 10 JKGE CCOC(=O)c1cc(-c2ccccc2)sc1NC(=O)C(C#N)=Cc1ccc(OCC)c(OC)c1 2314728881 PHJRIPZXMAPPBN-UHFFFAOYSA-N 476.554 5.545 50 10 JKGE Cc1cc(Oc2cc(Br)cc(I)c2)cc(CBr)n1 2316757644 MMZJBZYWPVIVJN-UHFFFAOYSA-N 482.941 5.444 50 10 JKGE COc1ccccc1-c1ccc(C(=O)NNC(=O)C=Cc2cccc(OCc3ccccc3)c2)c(C)n1 2321184580 QUCNQYSHRSIIRM-UHFFFAOYSA-N 493.563 5.119 50 10 JKGE CC(C)(C)OC(=O)N1CC[C@H](C2CCC3(CC2)CC[C@@](C)(CI)O3)C1 2328002153 PGUONHWCMHKHKC-MBBYKFCKSA-N 463.400 5.177 50 10 JKGE CCCCOc1ccc(C(O)=C(C#N)c2nc(-c3cccc([N+](=O)[O-])c3)cs2)cc1OCC 2331234996 CIPHXCQYAUSBSH-UHFFFAOYSA-N 465.531 6.246 50 10 JKGE CC(C)(C)c1ccc(C(=O)NCC(O)=C(C#N)c2nc(-c3ccc4ccccc4c3)cs2)cc1 2331236791 CKUDKQUNBDZWGH-UHFFFAOYSA-N 467.594 6.483 50 10 JKGE CCOc1ccc(C=CC(O)=C(C#N)c2nc(-c3ccc4c(c3)CCCC4)cs2)cc1OC 2331239897 POPVGIJLQIMSEU-UHFFFAOYSA-N 458.583 6.602 50 10 JKGE CCc1cccc(C)c1N1C[C@H](C(O)=C(C#N)c2nc(-c3ccc(OC)cc3OC)cs2)CC1=O 2331385528 LVIZUODANTUZLN-GOSISDBHSA-N 489.597 5.544 50 10 JKGE CCOC(=O)Oc1ccc(C(O)=C(C#N)c2nc(-c3ccc(OCC)cc3OCC)cs2)cc1 2331386905 ATWSSNYTDDENFC-UHFFFAOYSA-N 480.542 6.093 50 10 JKGE COc1ccc(OC)c(CC(O)=C(C#N)c2nc(-c3cc(C)c(Cl)cc3OC)cs2)c1 2331389190 CMTXELGNFMTESX-UHFFFAOYSA-N 456.951 5.833 50 10 JKGE COc1ccc(CC(O)=C(C#N)c2nc(-c3cc(Cl)c(OC)c(Cl)c3)cs2)cc1OC 2331396781 DAUJMWKTWUDVBL-UHFFFAOYSA-N 477.369 6.178 50 10 JKGE N#CC(=Cc1ccccc1OCc1ccccc1Cl)c1nc(-c2ccc3ccccc3c2)cs1 2331416987 QFJQQADTXSOQSI-UHFFFAOYSA-N 479.004 8.260 50 10 JKGE COc1cc(-c2csc(C(C#N)=Cc3cc(Cl)c(O)c(OC)c3)n2)c(OC)cc1Cl 2331471735 CEOMQPSVOQOVLZ-UHFFFAOYSA-N 463.342 5.912 50 10 JKGE Fc1c(Br)cc(Cl)c([C@H](Br)[C@@H]2C[C@@H]3CCC[C@H]32)c1Br 2337102072 BMFHKEYSFQIGRK-HIHLCYOISA-N 475.421 6.876 50 10 JKGE Cc1ccc(C[C@H](Br)c2c(Br)c(Br)nn2C)cc1C 2338689995 BDGRZYZBJCITRR-NSHDSACASA-N 451.000 5.241 50 10 JKGE Cc1cc(Br)c(F)c(Br)c1[C@H](Br)C12COCC(C1)C2 2339648787 OSDLGKXYJOKODZ-KQZUMFKRSA-N 456.975 5.522 50 10 JKGE Fc1cc(Br)cc(OCc2cccc(I)c2)c1CBr 2341792658 LSQJOQFHFJEMRF-UHFFFAOYSA-N 499.943 5.667 50 10 JKGE CC(F)(F)c1ccc([C@H](Br)c2ccc(OCc3ccccc3)cc2Br)cc1 2361171968 NCPWRCZAVYRRBT-NRFANRHFSA-N 496.189 7.624 50 10 JKGE CC1(C)CCC[C@@H]([C@@H](Br)c2c(Cl)cc(Br)c(F)c2Br)C1 2362234774 ISYFAFQAOMXEFO-PRHODGIISA-N 491.464 7.657 50 10 JKGE CCCc1sc(Br)cc1[C@H](Br)c1ccc(Cl)c(Cl)c1C 2364534627 OVCLVQCQHJIDPV-CQSZACIVSA-N 457.058 7.563 50 10 JKGE COc1c(Br)cc(C)c([C@@H](Br)[C@@H]2C[C@@H]3CC[C@H]2O3)c1Br 2365190967 KAFFEEHEYFWBFK-JQEKQURRSA-N 469.011 5.532 50 10 JKGE COc1c(Br)cc(C)c([C@@H](Br)C(C)(C)C(C)(C)C)c1Br 2365230198 HPUQHBOQXBBQNC-CQSZACIVSA-N 471.071 7.037 50 10 JKGE COc1c(Br)cc(C)c([C@@H](Br)[C@@H]2C[C@H]3CC[C@@H]2O3)c1Br 2365234764 KAFFEEHEYFWBFK-PLKZCJTGSA-N 469.011 5.532 50 10 JKGE COc1cc(Cl)c([C@H](Br)c2cc(OC)c(Cl)s2)cc1Br 2365838912 UMBSBFSZUZZDSP-LBPRGKRZSA-N 461.002 6.319 50 10 JKGE CCOc1ccc([C@H](Br)c2cccc(Br)c2Br)c(F)c1 2367464783 MEYGBKNBRJGKRJ-AWEZNQCLSA-N 466.970 6.234 50 10 JKGE CC(C)C[C@H](CBr)CN(C1CC1)[C@H](CCNC(=O)OC(C)(C)C)C(F)(F)F 2382184912 RNCHCVMHULVTQN-GDBMZVCRSA-N 459.391 5.354 50 10 JKGE CCOC(=O)c1c(NC(=O)/C(C#N)=C\c2ccc(OCC)c(OC)c2)sc2c1CC[C@H](C)C2 1959328 DKPVNIMTFSFMCH-ZKMNFCBKSA-N 468.575 5.003 50 10 JKGE Cc1cc(OCC(=O)NNC(=O)c2ccc(NC(=O)c3ccc(C(C)(C)C)cc3)cc2)ccc1Cl 13980199 KXOBBQHSASTGRC-UHFFFAOYSA-N 493.991 5.038 50 10 JKGE CC(C)(C)OC(=O)N1CC2=C(OC(N)=C(C#N)[C@H]2c2ccc(F)cc2)/C(=C\c2ccc(F)cc2)C1 33777044 VUJSRXXMQBBATQ-KELOHDTKSA-N 477.511 5.361 50 10 JKGE CCCCOc1ccc(C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@H]3c2ccc(C)cc2)cc1 38649225 ADEFUVUICDNUMI-SANMLTNESA-N 454.526 5.611 50 10 JKGE Cc1ccccc1C(=O)Oc1ccc2c(c1)OC(N)=C(C#N)[C@H]2c1cccc(Br)c1 38651446 LCJTYWPHHHRXRB-QFIPXVFZSA-N 461.315 5.195 50 10 JKGE N#CC1=C(N)Oc2cc(OC(=O)c3sc4ccccc4c3Cl)ccc2[C@H]1c1ccc(Cl)cc1 38687743 RFCKFZFJKWWFMP-OAQYLSRUSA-N 493.371 6.645 50 10 JKGE Cc1cccc(Oc2nc3ccccn3c(=O)c2/C=C(/C#N)C(=O)Nc2cccc(Cl)c2Cl)c1 39858615 YIVOFWBXCKRDRI-SSZFMOIBSA-N 491.334 5.648 50 10 JKGE COc1ccccc1NC(=O)/C(C#N)=C\c1c(Oc2ccc(Cl)c(C)c2)nc2ccccn2c1=O 39858747 FLUUNPDJRYIHFB-VKAVYKQESA-N 486.915 5.003 50 10 JKGE COc1cc(/C=C(\C#N)c2ccc(Cl)cc2)ccc1OC(=O)COc1cc(Cl)ccc1Cl 40840717 OMKJQSYTMWPIKZ-LICLKQGHSA-N 488.754 6.704 50 10 JKGE O=C(CSc1c(Cl)c(Cl)c(Cl)c(Cl)c1Cl)N/N=C/c1cccc(O)c1 59154279 FPDSZCQMKBESKS-IGCPIRJNSA-N 458.581 5.902 50 10 JKGE Cc1ccc(-n2nc(C)c(/C=N/NC(=O)[C@H](C)Oc3ccc(Cl)cc3Cl)c2C)c(C)c1 59167496 DCSJAPXHLRHRQL-FLKNIFQJSA-N 459.377 5.330 50 10 JKGE Cc1ccc(NC(=O)/C(C#N)=C\c2cc(Cl)cc(Cl)c2OCCOc2ccc(C)c(C)c2)cc1 96482605 LJUBLPXJRIUMJH-BKUYFWCQSA-N 495.406 6.922 50 10 JKGE CCOC(=O)c1c(N/C=C(\C#N)c2nc(-c3ccc4c(c3)OCO4)cs2)sc(C)c1C 102924754 LCLBXFDCWCQUOM-OQLLNIDSSA-N 453.545 5.370 50 10 JKGE BrCC(CBr)(CCCc1ccccc1)c1ccc(Br)cc1 118878565 SGJADEHIQYWUNK-UHFFFAOYSA-N 475.062 6.500 50 10 JKGE O=C(c1cc(Br)c(Br)s1)N1CCC[C@@H]1CCCBr 125369292 HWYCQDJBXQKEON-QMMMGPOBSA-N 460.029 5.053 50 10 JKGE Cc1cc(Br)c([C@@H](Cl)c2c(F)cc(Br)cc2F)cc1Br 128652800 FWQCNZIKBHLPRU-CQSZACIVSA-N 489.379 6.889 50 10 JKGE Cc1cc(C)c(C)c([C@@H](Br)c2cc(Br)c(Br)s2)c1C 128862503 XRYSKLBYENNFSM-AWEZNQCLSA-N 467.064 6.991 50 10 JKGE CCOc1cc(Br)c([C@@H](Br)c2sccc2Cl)cc1OCC 159111386 PZLSDYUNIKKUTR-CQSZACIVSA-N 454.611 6.446 50 10 JKGE COc1cc(Br)ccc1[C@@H](Br)c1csc2c(Br)cccc12 160788386 LOXMZXRHKIBDRO-OAHLLOKOSA-N 491.042 6.919 50 10 JKGE COc1cc(/C=C(\C#N)c2ccccc2)cc(Br)c1OCc1ccc(Cl)cc1Cl 197638157 DPIAFCFMVCQMBC-GIJQJNRQSA-N 489.196 7.408 50 10 JKGE CC[C@@H](NC(=O)/C(C#N)=C\N(c1ccccc1)c1ccc(N)cc1)c1ccc2c(c1)CCCC2 217190960 KXIKTKCPDOWRBF-HVHHJAFASA-N 450.586 5.961 50 10 JKGE O=C1COc2ccc([C@@H](Br)c3cc(Br)sc3Br)cc2N1 232453266 FELINMMGEFPCDD-GFCCVEGCSA-N 481.991 5.088 50 10 JKGE COc1ccc(OC)c([C@@H](Cl)c2cc(I)ccc2Br)c1 234966923 WGEVFTNDLHEBFN-HNNXBMFYSA-N 467.528 5.399 50 10 JKGE O=C(NN=Cc1cn(Cc2c(F)cccc2Cl)c2ccccc12)c1ccc2ccccc2c1O 254310819 HMWXXNOQCMQHTN-UHFFFAOYSA-N 471.919 6.105 50 10 JKGE CCN(CC)c1ccc(C=NNC(=O)CSc2nnc(-c3ccccc3)n2-c2ccccc2)cc1 254612349 QIUPINFLTUPIGA-UHFFFAOYSA-N 484.629 5.023 50 10 JKGE CCOc1c(Br)cc(C=NNC(=O)C(C)(C)Oc2ccc(Cl)c(C)c2)cc1OC 254875489 WEYGXOUINFJCSN-UHFFFAOYSA-N 483.790 5.126 50 10 JKGE CC[C@H]1CCC[C@H](OC2(CI)CCN(C(=O)OC(C)(C)C)CC2)C1 303741841 QCJJPGWMYJPVLU-HOTGVXAUSA-N 451.389 5.177 50 10 JKGE Fc1ccc(Cl)c([C@H](Br)c2cc(Br)ccc2Br)c1 311089024 NNUMQVLJMJGVLS-CYBMUJFWSA-N 457.362 6.488 50 10 JKGE C[C@H](COc1c(Br)cc(Br)cc1CBr)C1CCCCC1 312438907 SUEWSKZGAQLUTF-LLVKDONJSA-N 469.055 6.702 50 10 JKGE C[C@H](Cl)c1nc2cc(I)ccc2n1[C@@H]1CCN(Cc2ccccc2)[C@H](C)C1 379613662 XHXGLDHLODZVGD-JTDSTZFVSA-N 493.820 6.166 50 10 JKGE CC(C)(C)OC(=O)N1C[C@@H](CBr)[C@@H](c2cc(Br)ccc2Br)C1 382694794 SRDAFIPISHPLEN-MFKMUULPSA-N 498.053 5.557 50 10 JKGE O=C(Nc1c(Br)cc(Cl)cc1Br)c1ccc(CBr)cc1 382923099 CFGDTSHXSMLGIN-UHFFFAOYSA-N 482.397 6.012 50 10 JKGE CN(Cc1csc(Br)c1)c1cccc(Br)c1CBr 394714158 SMLXEIXNSCGENA-UHFFFAOYSA-N 454.025 5.804 50 10 JKGE Fc1ccc(Br)c([C@@H](Br)c2cc(Cl)c(Cl)c(Cl)c2Cl)c1 404646777 HEUUJRFRGLELHR-SNVBAGLBSA-N 481.801 7.686 50 10 JKGE Fc1cc([C@H](Br)Cc2ccccc2Br)c(F)cc1Br 692439823 LTFCIIAPJGPJRC-LLVKDONJSA-N 454.934 6.169 50 10 JKGE Cc1cc(Br)c([C@@H](Br)c2c(Cl)cnn2C)cc1Br 696422248 KHGBXLBMVVGAGX-LLVKDONJSA-N 457.391 5.391 50 10 JKGE BrCC(CBr)(Cc1ccncc1Br)C1CCCCCC1 702866004 PBOLEKKBCJRGRM-UHFFFAOYSA-N 468.071 6.133 50 10 JKGE Fc1ccc([C@H](Br)c2scc(Br)c2Br)c(F)c1Cl 705479087 ZJAFIJJWKHRGCY-ZETCQYMHSA-N 481.381 6.689 50 10 JKGE COc1ccc2nc([C@H](C)Cl)n(CC3(N(Cc4ccccc4)Cc4ccccc4)COC3)c2c1 705610226 LQDSDPFCLJJNGC-NRFANRHFSA-N 476.020 5.816 50 10 JKGE CCOc1cc(C=NNC(=O)c2cccs2)cc(Br)c1OCc1ccccc1Cl 725428173 HJJFCCYIMRRDSD-UHFFFAOYSA-N 493.810 5.906 50 10 JKGE COc1cc(C=NNC(=O)C(c2ccccc2)c2ccccc2)ccc1OCc1ccc(Cl)cc1 1083941344 ANXSCMZFYFOYKM-UHFFFAOYSA-N 484.983 6.210 50 10 JKGE Cc1cc(C=NNC(=O)c2ccc(CSc3ccccc3)cc2)c(C)n1-c1ccccc1Cl 1084018835 BBOUXXMXVPLSBK-UHFFFAOYSA-N 474.029 6.804 50 10 JKGE O=C(NN=Cc1c(Cl)cccc1Cl)c1ccc([C@@H]2Nc3ccccc3[C@@H]3C=CC[C@@H]32)cc1 1084106381 ZBOGLGXFOCHCQI-KHOMTPLRSA-N 462.380 6.584 50 10 JKGE CN(C)C(=O)/C(C#N)=C\c1cc(-c2ccccc2)n(-c2ccc([N+](=O)[O-])cc2)c1-c1ccccc1 1084286920 HRBHHRLSPUJKIV-QJOMJCCJSA-N 462.509 5.715 50 10 JKGE Cc1cc(C=NNC(=O)c2cc3ccccc3o2)c(C)n1-c1ccc(I)cc1 1084496587 UKAVGFZDLVOFAF-UHFFFAOYSA-N 483.309 5.209 50 10 JKGE Cc1ccc(-c2ccccc2)n1-c1ccc(C(=O)NN=Cc2ccc(O)c(Br)c2)cc1 1084607518 KHDMLMKAAMHSIC-UHFFFAOYSA-N 474.358 5.685 50 10 JKGE CCCCCCOc1ccc(C=NNC(=O)COc2c(C)cc(Br)cc2C)cc1OC 1772753196 AKVLZTKOVAIFIZ-UHFFFAOYSA-N 491.426 5.563 50 10 JKGE COc1cc(C=NNC(=O)COc2cc(Cl)ccc2Cl)ccc1OCc1ccc(C)cc1 1772754320 GSLPMUHQHJLRSE-UHFFFAOYSA-N 473.356 5.419 50 10 JKGE O=C(CSc1nc(-c2ccccc2)cs1)NN=Cc1cccc(OCc2ccc(Cl)cc2)c1 1772754940 AZBYMDFWFDYLOA-UHFFFAOYSA-N 494.041 6.285 50 10 JKGE CC(C)(C)c1ccc(COc2ccc(C=NNC(=O)CSc3nc4ccccc4[nH]3)cc2)cc1 1772760526 QMBLJHFTBPSQMV-UHFFFAOYSA-N 472.614 5.682 50 10 JKGE N#CC1=C(N)Oc2c(c(-c3ccccc3)nn2-c2ccccc2Cl)[C@@H]1c1c(Cl)cccc1Cl 1865685737 MIYCDSLWIYABFU-FQEVSTJZSA-N 493.781 6.718 50 10 JKGE CCc1nn(Cc2cc(C)ccc2C)c2c1[C@@H](c1c(OC)ccc3ccccc13)C(C#N)=C(N)O2 1865688144 KQCROXWKFSFRSP-AREMUKBSSA-N 464.569 5.491 50 10 JKGE N#CC1=C(N)Oc2c(c(C(F)(F)F)nn2Cc2c(F)cccc2Cl)[C@@H]1c1c[nH]c2ccccc12 1865700075 KQWWYQOBNPLJRV-SFHVURJKSA-N 487.844 5.442 50 10 JKGE N#CC1=C(N)Oc2c(c(-c3ccccc3)nn2-c2ccccc2)[C@H]1c1cc(Br)ccc1F 1865702146 NYMPTGWXKBIVIY-NRFANRHFSA-N 487.332 5.659 50 10 JKGE CCN(CC)c1ccc([C@@H]2C(C#N)=C(N)Oc3c2c(-c2ccccc2)nn3-c2ccccc2)cc1 1865702242 QIEKWZCTRPWXPM-RUZDIDTESA-N 461.569 5.604 50 10 JKGE N#CSc1ccc(Nc2cc(N3CC[C@H](c4ccco4)C3)nc(-c3ccc(F)cc3)n2)cc1 1868456916 XCIYWVPQTOLOQH-SFHVURJKSA-N 457.534 6.186 50 10 JKGE CCc1cccc(C)c1N1C[C@@H](/C(O)=C(\C#N)c2nc(-c3ccc4c(c3)CCCC4)cs2)CC1=O 1872745663 XNTREZVLQVHACO-PBQGTZBKSA-N 483.637 6.406 50 10 JKGE CC[C@@H](C)[C@@H](/C(O)=C(\C#N)c1nc(-c2ccc3c(c2)OCO3)cs1)N1C(=O)c2ccccc2C1=O 1872752745 QJOKYFZJCBZVGG-GWKSXPLXSA-N 487.537 5.042 50 10 JKGE CCOc1ccc(-c2csc(/C(C#N)=C(O)/C=C/c3ccc(Cl)c(Cl)c3)n2)c(OCC)c1 1872755378 KTQULQFIYAIKRK-HILZVLTGSA-N 487.408 7.420 50 10 JKGE CCOc1ccc(-c2csc(/C(C#N)=C(\O)Cc3ccccc3[N+](=O)[O-])n2)c(OCC)c1 1872755441 NIGXVQDAFZBINO-UZYVYHOESA-N 451.504 5.551 50 10 JKGE COc1ccc(-c2csc(/C(C#N)=C(\O)[C@@H](C)Oc3ccc(C(C)C)cc3)n2)c2ccccc12 1872758598 HZDVPWFFAUDHGE-XQJGLGPESA-N 470.594 7.355 50 10 JKGE Clc1sccc1[C@@H](Br)c1cc(Br)c(Br)s1 1909315476 YKXZZIAXDVIOIT-SSDOTTSWSA-N 451.430 6.472 50 10 JKGE Cc1sc(C)c(S(=O)(=O)N(Cc2ccccc2)C[C@@H](C)Br)c1Br 1914650828 JBEMTYKWKUBCJV-LLVKDONJSA-N 481.275 5.102 50 10 JKGE O=S(=O)(c1ccc(Cl)c(Cl)c1)N(Cc1ccccc1)[C@@H](CBr)C1CC1 1915169485 IESCXJKPQDTHFS-SFHVURJKSA-N 463.224 5.358 50 10 JKGE Fc1c(Br)ccc(CN(Cc2ccccc2)C2(CBr)CCC2)c1F 1915750870 MFYIRHHTBIXQBV-UHFFFAOYSA-N 459.172 6.047 50 10 JKGE Cc1c(Br)sc([C@@H](Cl)c2nn(C)c(Cl)c2Cl)c1Br 1922920116 CSMWHQATEHKUSC-YFKPBYRVSA-N 453.414 5.950 50 10 JKGE Clc1cc(Br)c([C@@H](Cl)Cc2ccccc2I)s1 1948825410 HGMYBUYPQKHLTQ-VIFPVBQESA-N 461.977 6.291 50 10 JKGE CC(C)(C)OC(=O)N1C[C@H](OCc2cc(Cl)ccc2Br)[C@H](Br)C1 1993166059 ODEJMHWAEHXAQH-KGLIPLIRSA-N 469.601 5.002 50 10 JKGE Cc1c(Br)ccc([C@H](Br)c2ccoc2Br)c1Br 2024295619 SRYGNOPOTCEKPY-NSHDSACASA-N 487.811 6.360 50 10 JKGE COc1ccc2c(c1)Oc1cc(OC(=O)OCCBr)ccc1[C@@]21OC(=O)c2ccccc21 2060428811 XOUSDCPPGSMKQF-DEOSSOPVSA-N 497.297 5.174 50 10 JKGE O=C(N[C@@H](CBr)c1ccccc1)c1csc(Br)c1Br 2093943955 BGZDXSGIBLTGJV-JTQLQIEISA-N 468.008 5.139 50 10 JKGE C[C@@H]1[C@H](Br)C[C@H]2CC[C@H]1N2Cc1c(Br)cccc1Br 2094103124 XMSPXBIOTMDDHV-XEQNPHJVSA-N 452.028 5.348 50 10 JKGE Clc1c(Br)ccc(CBr)c1N1CCN(Cc2ccccc2)C2(CCC2)C1 2098114491 SAWRDGVZOALZDV-UHFFFAOYSA-N 498.690 6.242 50 10 JKGE COC1CC2(C1)CC([C@@H](Cl)c1c(Br)sc(Br)c1Br)C2 2100345477 LJWBOTMOKUPNID-RUBYRVAZSA-N 493.486 6.521 50 10 JKGE CC[C@H](C)N(Cc1ccccc1)S(=O)(=O)c1c(CBr)sc2ccccc12 2123248572 XDNIYBVXBKANSA-HNNXBMFYSA-N 452.439 5.786 50 10 JKGE Clc1ccc(I)c(CN2[C@H]3CC[C@@H]2C[C@H](CBr)C3)c1 2128151227 DLBDRSXGJWDBEF-ZOZIMZAQSA-N 454.577 5.083 50 10 JKGE CO[C@@H]1C[C@@H]([C@@H](Br)c2cc(Br)ccc2Br)C12CCC2 2133847359 PUCQUYLQFDTQTJ-YUTCNCBUSA-N 453.012 5.853 50 10 JKGE Cc1c(Br)ccc([C@H](Br)[C@@H]2C[C@@H]3C[C@H]3C[C@@H]2C)c1Br 2138863550 MIIPKSPVNBTJRO-CZRQWGDXSA-N 451.040 6.638 50 10 JKGE CCC[C@@H]1CC[C@@H](Br)[C@@H](Cc2ccc(I)c(Cl)c2)C1 2142953118 NABSIZLHVZEGGB-MRVWCRGKSA-N 455.605 6.467 50 10 JKGE COc1cc(Br)c(C)cc1[C@H](Br)c1cc(C)ccc1Br 2145958648 AHAYZWYIXNMWPF-MRXNPFEDSA-N 463.007 6.321 50 10 JKGE CCCC(CBr)(CCC)CN=[S@](C)(=O)C1CCN(C(=O)OC(C)(C)C)CC1 2163063392 PUMYJINDVLWIMN-HHHXNRCGSA-N 467.514 5.465 50 10 JKGE FC1(F)[C@H]2C[C@H](COc3c(Br)cc(CBr)cc3Br)C[C@H]21 2164313004 HOLJXQOEDQCSAQ-OWUUHHOZSA-N 474.965 5.777 50 10 JKGE COc1ccc(C[C@@H](Br)c2cccc(F)c2I)cc1F 2168406282 QDSCGVVNGVDPBY-LLVKDONJSA-N 453.064 5.257 50 10 JKGE ClCc1nc2cc(Cl)c(Br)cc2n1-c1ccccc1I 2169019751 QZEOBYHDWPSBLW-UHFFFAOYSA-N 481.946 5.785 50 10 JKGE Fc1ccc(I)cc1[C@@H](Cl)c1cc(Cl)c(Cl)c(Cl)c1Cl 2169660361 BNEOLNVKWGDGSI-SNVBAGLBSA-N 484.350 7.372 50 10 JKGE COc1ccc([C@H](Br)c2cc(I)sn2)c2ccccc12 2176540516 VNQHZJLYIIMQSA-HNNXBMFYSA-N 460.134 5.394 50 10 JKGE CC(C)[C@@H](CBr)N(Cc1ccccc1)C(=O)c1cc(Cl)cc(C(F)(F)F)c1 2200837093 DOCJJQUUWLDODK-GOSISDBHSA-N 462.737 6.421 50 10 JKGE Cc1ccc(Br)c([C@H](Br)c2c(Br)cc(F)c(Cl)c2F)c1 2201616336 ASPQEBNWFRTQPQ-LBPRGKRZSA-N 489.379 6.936 50 10 JKGE CC(C)(C)c1ccccc1[C@H](Br)c1ccc(Br)cc1Br 2203686566 NYKXGKIWDBTWJW-INIZCTEOSA-N 461.035 6.993 50 10 JKGE Fc1cc(F)cc(CO[C@H](CI)c2ccc(Br)cc2)c1 2204373629 IAZHSPAMFZZKNW-OAHLLOKOSA-N 453.064 5.420 50 10 JKGE COc1c(C)cc(Br)cc1[C@H](Br)c1ccc(C)c(Br)c1 2206598130 JIXLJYHKFACPTD-OAHLLOKOSA-N 463.007 6.321 50 10 JKGE O=C(c1c(Br)cccc1Br)N1CCCC[C@@H]1CCCBr 2206666066 HOKGCUIBMSNAPQ-LLVKDONJSA-N 468.027 5.381 50 10 JKGE Fc1cc(Br)c(Br)c2c1CC[C@@H](C(F)F)C[C@H]2Br 2218604827 ZYKAEWNYEQMDKY-IYSWYEEDSA-N 450.918 6.004 50 10 JKGE ClCc1nc2cc(Br)c(Br)cc2n1CC1(Br)CC1 2218660337 ULSZGUJMGJKRDV-UHFFFAOYSA-N 457.391 5.228 50 10 JKGE COc1cc(Br)c([C@@H](Br)c2cscc2OCc2ccccc2)cc1C 2220442954 AJYQQNNONNUDJT-HXUWFJFHSA-N 482.237 6.891 50 10 JKGE CCCN[C@H](c1c(Br)cc(C)c(Br)c1C)[C@@H]1C[C@H]1Br 2227349514 CQEHDFHKCOHYJU-HFAKWTLXSA-N 454.044 5.653 50 10 JKGE Cc1cc(Br)c([C@H](Br)C23CC(C2)[C@@H](C)O3)c(C)c1Br 2227360236 QJOXMKPZLJWIRN-AYBBVMILSA-N 453.012 5.832 50 10 JKGE CC[C@@H]1CC[C@@H]([C@@H](Br)c2c(Br)cc(C)c(Br)c2C)O1 2227360328 RGIKKKJGWYALAN-IFUGULHKSA-N 455.028 6.222 50 10 JKGE FC1(F)[C@H]2CCC[C@@H]1C[C@H]([C@@H](Br)c1sc(Br)cc1Br)C2 2233639696 NVTRHOXRGUZPPE-JXVAYASWSA-N 493.049 7.171 50 10 JKGE COc1cc(C)ccc1[C@@H](Br)c1ccc(Br)c(C)c1Br 2233984485 RAJMPUMIDJZSJC-MRXNPFEDSA-N 463.007 6.321 50 10 JKGE COc1cc([C@H](Br)c2sc(C)cc2Br)c(OC)cc1Br 2237632955 FNGRWYYEPDPBMF-ZDUSSCGKSA-N 485.035 6.083 50 10 JKGE BrC[C@]12CCCC[C@H]1CN(Cc1ccc(Br)cc1Br)C2 2238822167 BHKGWEOUZCPDMH-BBRMVZONSA-N 466.055 5.599 50 10 JKGE COc1ccc([C@@H](Br)c2ccsc2Br)cc1I 2248894303 MERUPHMOXGWMCX-LLVKDONJSA-N 487.982 5.608 50 10 JKGE Cc1c(Br)sc([C@@H](Br)C[C@@H]2CCCC23CC3)c1Br 2255264813 WFZYEHWYAMMFPF-UWVGGRQHSA-N 457.069 6.988 50 10 JKGE COC1([C@H](Br)c2c(C)c(Br)cc(C)c2Br)CC(C)C1 2266350507 OVDDPBLXGFFBIO-OOCCNLOMSA-N 455.028 6.080 50 10 JKGE COc1cc(OC)c([C@H](Cl)c2csc(Br)c2Br)cc1Cl 2279137950 VAFJPVZOFMNZIO-LBPRGKRZSA-N 461.002 6.272 50 10 JKGE C[C@H]1CCC[C@](CBr)(NC(=O)c2ccc(Cl)c(I)c2)C1 2283657763 VLLBJNTXCOXMOW-BONVTDFDSA-N 470.576 5.018 50 10 JKGE O=[N+]([O-])c1cc(CBr)ccc1Oc1cc(I)ccc1Cl 2288252041 JJGAUTCVEDKPRG-UHFFFAOYSA-N 468.472 5.540 50 10 JKGE Cc1ccc(CSc2nnc(SCC(=O)NN=CC(Cl)=Cc3ccccc3)s2)cc1 2293716005 POONMPQLDXGLCA-UHFFFAOYSA-N 475.064 5.613 50 10 JKGE COc1ccccc1C=CC=NNC(=O)c1cc(-c2ccccc2OCc2ccccc2)[nH]n1 2293757850 KKMSNJGOAMWJCI-UHFFFAOYSA-N 452.514 5.093 50 10 JKGE N#CC(=CNc1ccccc1I)c1nc(-c2ccc3c(c2)OCO3)cs1 2295891579 SCXILFXTPIREAN-UHFFFAOYSA-N 473.295 5.120 50 10 JKGE C[C@@H]1CCC[C@@H]([C@@H](Br)c2cc(Br)ccc2OCc2ccccc2)O1 2299497706 XRQHGOZBKCKYIH-UAOJZALGSA-N 454.202 6.422 50 10 JKGE Clc1csc([C@H](Cl)c2ccc(OCc3ccccc3)cc2Br)c1Cl 2299500621 HHUDVWWUMMVAHN-MRXNPFEDSA-N 462.623 7.725 50 10 JKGE Cc1nn(C)c(Br)c1[C@H](Cl)c1sc(Cl)cc1I 2301080137 AQPGXONCCPIIHD-QMMMGPOBSA-N 465.969 5.139 50 10 JKGE CCc1ccc(NC(=O)C(C#N)=Cc2ccc(Oc3ccc([N+](=O)[O-])cc3[N+](=O)[O-])cc2)cc1 2313540521 FUFOMELWGLJXDS-UHFFFAOYSA-N 458.430 5.403 50 10 JKGE CC(C)C[C@@H](C(C)C)[C@H](Br)c1cc(Br)ccc1OCc1ccccc1 2314455431 OSOGEWLSSLYDMH-UGKGYDQZSA-N 468.273 7.782 50 10 JKGE Brc1cc(OCc2ccccc2)ccc1[C@H](Br)[C@@H]1CC[C@H]2C[C@@H]1CO2 2314455658 QINLIDPZAJDSIU-VWFIUDSGSA-N 466.213 6.279 50 10 JKGE Brc1cc(OCc2ccccc2)ccc1[C@@H](Br)[C@@H]1CC2(CCC2)CO1 2314500030 JDTWEAQHOMKASJ-VQTJNVASSA-N 466.213 6.423 50 10 JKGE COc1ccc(C(C#N)=Cc2ccc(OC(=O)c3ccc(F)c(F)c3)c(OC)c2)cc1OC 2320507126 ZEWUTJNJCZDMBB-UHFFFAOYSA-N 451.425 5.274 50 10 JKGE N#CC(=CNc1ccc(Cl)c(C(F)(F)F)c1)C(=O)NC(c1ccccc1)c1ccccc1 2324825874 STMBNBJJLYUNGJ-UHFFFAOYSA-N 455.867 6.084 50 10 JKGE COC[C@@]1(C)C[C@]1(CBr)Cc1ccc(I)c(Br)c1 2325223508 YFAOVKIWKZCNTG-KGLIPLIRSA-N 488.001 5.034 50 10 JKGE CC(=Cc1ccccc1Cl)C(=O)N[C@@H](C(=O)Nc1ccc(SC#N)cc1)c1ccccc1 2330474585 QBPHMDFHTHBGKL-HSZRJFAPSA-N 461.974 5.813 50 10 JKGE CC[C@H](C)[C@H](C(O)=C(C#N)c1nc(-c2cccc(OC)c2)cs1)N1C(=O)c2ccccc2C1=O 2331248958 JXSCWXKQPOZLEA-OYHNWAKOSA-N 473.554 5.322 50 10 JKGE CC[C@@H](C)[C@H](C(O)=C(C#N)c1nc(-c2ccccc2Cl)cs1)N1C(=O)c2ccccc2C1=O 2331271561 UUFSBMOPAAIYGI-SPLOXXLWSA-N 477.973 5.967 50 10 JKGE CCOc1ccc(-c2csc(C(C#N)=C(O)[C@H]3CC(=O)N(c4cc(Cl)ccc4OC)C3)n2)cc1 2331305608 YPQDOLPZNOWXFO-INIZCTEOSA-N 495.988 5.717 50 10 JKGE CCOc1ccc(-c2csc(C(C#N)=C(O)[C@@H]([C@H](C)CC)N3C(=O)c4ccccc4C3=O)n2)cc1 2331305691 IEWKNCSPNGVSNK-WAIKUNEKSA-N 487.581 5.712 50 10 JKGE COC(=O)c1ccccc1N1C[C@@H](C(O)=C(C#N)c2nc(-c3cc(C)ccc3C)cs2)CC1=O 2331319596 OBCFCLRSYUXHKV-KRWDZBQOSA-N 473.554 5.059 50 10 JKGE Cc1ccc(C)c(-c2csc(C(C#N)=C(O)[C@@H](C(C)C)N3C(=O)c4ccccc4C3=O)n2)c1 2331319615 PYBRISLMWKOAJA-JOCHJYFZSA-N 457.555 5.540 50 10 JKGE N#CC(=C(O)COc1ccc(Cl)cc1Cl)c1nc(-c2ccc3c(c2)OCCO3)cs1 2331330797 HYGSPYVLDPNJIS-UHFFFAOYSA-N 461.326 5.760 50 10 JKGE CCc1cccc(C)c1N1C[C@@H](C(O)=C(C#N)c2nc(-c3cccc4ccccc34)cs2)CC1=O 2331339308 WUECKYCZCOYTJJ-NRFANRHFSA-N 479.605 6.680 50 10 JKGE CCOc1ccc(OCC)c(-c2csc(C(C#N)=C(O)Cc3cc(OC)ccc3OC)n2)c1 2331376335 XXKYYUKQYRYGDU-UHFFFAOYSA-N 466.559 5.660 50 10 JKGE COc1ccc(-c2csc(C(C#N)=C(O)CNC(=O)c3ccc(C(C)(C)C)cc3)n2)cc1Cl 2331398132 KZOZCIBZHWHUAT-UHFFFAOYSA-N 482.005 5.992 50 10 JKGE N#CC(=Cc1ccc(OCc2ccccc2)cc1)c1nc(-c2cccc(Br)c2)cs1 2331432126 RRIUOIBFPLRGEA-UHFFFAOYSA-N 473.395 7.216 50 10 JKGE CCOc1ccc(-c2csc(C(C#N)=Cc3cc(OC)c(OC)cc3OC)n2)c(OCC)c1 2331473843 IEEAWDCCNMNNBO-UHFFFAOYSA-N 466.559 5.697 50 10 JKGE Brc1ccc(OCc2ccccc2)c([C@@H](Br)c2ccc3nsnc3c2)c1 2336041847 QZMNRZAHWDJKSU-FQEVSTJZSA-N 490.220 6.517 50 10 JKGE CCCc1sc(Br)cc1[C@H](Br)c1cccc(C)c1Br 2338022445 WNWRAMDQBUTYJJ-OAHLLOKOSA-N 467.064 7.018 50 10 JKGE COc1c(Br)cc(C)c([C@H](Br)[C@@H]2CC[C@H]3C[C@@H]32)c1Br 2339675388 QRUSMTJMMYECHQ-MPXOCVNLSA-N 453.012 6.011 50 10 JKGE Cc1cc(Br)c(F)c(Br)c1[C@H](Br)CC(C)(C)C1CC1 2339677070 BEUNZPROSNXRPC-LLVKDONJSA-N 457.019 6.921 50 10 JKGE Cc1cc(Br)c(F)c(Br)c1[C@H](Br)C[C@@H]1CO[C@@H](C)C1 2339686173 KXAIWJKGZGMLGE-IVZWLZJFSA-N 458.991 5.910 50 10 JKGE CC1(C)CCC[C@@](CCl)(Cc2ccc(I)c(Br)c2)O1 2349841990 VRWSDZLZEHVJHI-HNNXBMFYSA-N 457.577 5.553 50 10 JKGE FC1(F)C[C@]12CCC[C@H]([C@H](Cl)c1ccc(OCc3ccccc3)cc1Br)C2 2361196043 UQKUDJWTLVSYIF-ORYQWCPZSA-N 455.770 7.524 50 10 JKGE CC1(C)CCC([C@H](Br)c2c(Cl)cc(Br)c(F)c2Br)CC1 2362228987 QIGNHGNJCYPTIK-LBPRGKRZSA-N 491.464 7.657 50 10 JKGE COc1c(Br)cc(C)c([C@H](Br)[C@H]2C[C@@H]3CC[C@H]2C3)c1Br 2365195439 BNNFGLLGMNUBLW-YAMSLAJTSA-N 467.039 6.401 50 10 JKGE Cc1cc(Br)c(F)c(Br)c1[C@H](Br)C1CC2(CC(C)C2)C1 2365196978 RNVNDFIRJICLSK-YBFHGPMMSA-N 469.030 6.921 50 10 JKGE CC1CCC([C@@H](CBr)NCc2cc(Cl)ccc2I)CC1 2379766059 SCJITPLEYOOLQF-ZEPSKSRBSA-N 470.620 5.624 50 10 JKGE CCOc1ccc(NC(=O)CCC(=O)N/N=C/c2ccc3c(c2)c2ccccc2n3CC)cc1 12579149 ATVKRUFUCQVLGJ-MTDXEUNCSA-N 456.546 5.082 50 10 JKGE COc1ccccc1/C(C#N)=C\c1cccc(OC(=O)CCCOc2ccc(Cl)cc2Cl)c1 31902739 WSCLDJATOVFLAL-RGEXLXHISA-N 482.363 6.831 50 10 JKGE Cc1ccc(-c2nnc(SCC(=O)N/N=C\c3ccc(Cl)cc3)n2-c2ccccc2)cc1 33089365 UNTXTWXYJZZYBP-YSMPRRRNSA-N 461.978 5.139 50 10 JKGE CCCCOc1ccc(/C=C(\C#N)C(=O)Nc2scc(-c3ccc(C)cc3)c2C(=O)OCC)cc1 33346618 VNGNTGQUSPSDSF-CJLVFECKSA-N 488.609 6.625 50 10 JKGE COc1cc(/C=N/NC(=O)c2cc3ccccc3o2)cc(Cl)c1OCc1ccccc1C#N 33590368 CPFJHTRDJBAKMJ-CCVNUDIWSA-N 459.889 5.309 50 10 JKGE COc1cc(/C=C2/C(=O)N(Cc3ccc(C)cc3)C(=O)C(C#N)=C2C)ccc1OCc1ccccc1F 38608474 AOOMLDDKRGSQDR-ZVHZXABRSA-N 496.538 5.514 50 10 JKGE CCCCCOc1ccc(C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@@H]3c2ccc(CC)cc2)cc1 38677209 BSUYJHANVDBCQQ-MUUNZHRXSA-N 482.580 6.255 50 10 JKGE CCCCCOc1cccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4ccccc4)ccc32)c1 38684752 BZYILZKJMZWKFS-AREMUKBSSA-N 454.526 5.693 50 10 JKGE Cc1ccc(NC(=O)/C(C#N)=C\c2c(Oc3ccccc3Cl)nc3c(C)cccn3c2=O)cc1C 39858685 ZOAPRLDETFKBIZ-RGEXLXHISA-N 484.943 5.611 50 10 JKGE Cc1cccc(NC(=O)/C(C#N)=C/c2c(Oc3cccc(C)c3C)nc3c(C)cccn3c2=O)c1 39993079 XAAJCIKZKKCRBG-RCCKNPSSSA-N 464.525 5.266 50 10 JKGE O=C(Cc1ccccc1)NNc1ncnc(Nc2ccc(/N=N/c3ccccc3)cc2)c1[N+](=O)[O-] 40645913 DPBLCYNPMHCLEC-ZQHSETAFSA-N 468.477 5.230 50 10 JKGE COc1cccc(C(=O)N/N=C2\CCCc3oc(C(=O)Nc4cccc(Cl)c4Cl)c(C)c32)c1 40822355 NPIBAOSSMDRKFE-OGLMXYFKSA-N 486.355 5.626 50 10 JKGE Cl[C@H](c1ccc(Br)s1)c1cc(Br)sc1Br 71087879 RWJBMBSJKLRFAY-QMMMGPOBSA-N 451.430 6.425 50 10 JKGE Cc1cc(-n2c(CCl)nc3cc(I)ccc32)ccc1Br 97353978 YGRHOWPGOUOEFL-UHFFFAOYSA-N 461.528 5.440 50 10 JKGE COc1ccc(-c2csc(/C(C#N)=C\Nc3cc4oc5ccccc5c4cc3OC)n2)cc1 102420147 GPFIESZXPSCVRZ-VKAVYKQESA-N 453.523 6.703 50 10 JKGE CC1=C(C#N)C(O)=NC(=O)/C1=C/c1ccc(-c2ccc(Cl)c(C(=O)OCc3ccccc3)c2)o1 103586152 VTEWGMLHNUCZMN-XDHOZWIPSA-N 472.884 5.677 50 10 JKGE CCOc1ccc(-c2csc3ncn(CC(=O)/C(C#N)=C4/Nc5ccccc5S4)c(=O)c23)cc1 103908225 YFZQUWFYECAJQU-QJOMJCCJSA-N 486.578 5.046 50 10 JKGE Brc1ccc(Br)c([C@@H](Br)c2ccc3ccccc3c2)c1 109844683 UFBQFZMTINODMD-KRWDZBQOSA-N 454.987 6.849 50 10 JKGE Brc1ccccc1[C@@H](Br)c1cc2c(cc1Br)OCCCO2 109865221 SLJMSPLBUMOBMW-MRXNPFEDSA-N 476.990 5.857 50 10 JKGE CCCOc1ccccc1/C=C(/C#N)C(=O)Oc1ccc(C(=O)Nc2ccc(C)cc2C)cc1 206990317 USLSULPWVSASAZ-QJOMJCCJSA-N 454.526 5.857 50 10 JKGE CCCOc1ccc(-c2nn(-c3ccccc3)cc2/C=C2\C(=O)N(CCC)C(=O)C(C#N)=C2C)c(C)c1 214217198 KIJLITNRZPNSKK-ONUIUJJFSA-N 494.595 5.639 50 10 JKGE C[C@@H]1CCCC[C@@H]1NC(=O)[C@H](c1ccc(Cl)cc1)N(Cc1cccc(Cl)c1)C(=O)CCl 230274976 BZXUWBIOFLUDGQ-HNKPZJSLSA-N 481.851 5.997 50 10 JKGE Fc1cc(F)c([C@H](Br)c2cc(Br)ccc2Br)cc1F 236255926 CPSFOEBVABYHRI-CYBMUJFWSA-N 458.897 6.113 50 10 JKGE O=C(COc1ccc(OCc2ccccc2)cc1)NN=Cc1ccc(OC(=O)c2ccccc2)cc1 254352812 ZKBWOYYSLOVNAC-UHFFFAOYSA-N 480.520 5.014 50 10 JKGE CCOc1ccc(NC(=O)C(=O)NN=Cc2c(OCc3ccc(F)cc3)ccc3ccccc23)cc1 254372575 QOXBBASJVFMUDW-UHFFFAOYSA-N 485.515 5.045 50 10 JKGE CC(=NNC(=O)c1ccc(CSc2nc3ccccc3s2)cc1)c1ccccc1Br 254479245 MKRYYGHPMPYWMZ-UHFFFAOYSA-N 496.455 6.505 50 10 JKGE Cc1nn(Cc2c(Cl)cccc2Cl)c(C)c1C=NNC(=O)Cc1c[nH]c2ccccc12 254523727 VAKKEUDXIDAFHP-UHFFFAOYSA-N 454.361 5.029 50 10 JKGE CC(=NNC(=O)C1c2ccccc2Oc2ccccc21)c1ccc(NC(=O)c2ccc(Cl)cc2)cc1 254557799 BTFSOMIBEGOEOX-UHFFFAOYSA-N 495.966 6.370 50 10 JKGE C[C@H](C(=O)Nc1ccccc1-c1nc(CCl)cs1)N(Cc1ccccc1)Cc1ccccc1 304713982 VIJUVAUZISWXTD-HXUWFJFHSA-N 476.045 6.578 50 10 JKGE COc1ccc(Oc2cccc(Br)c2CBr)c(Br)c1 394795762 LJXDYNDCYQVSKN-UHFFFAOYSA-N 450.952 5.907 50 10 JKGE Clc1cc(Br)cc(Oc2ccc(CBr)c(Br)c2)c1 697952339 WBTBVGOUTIUGDS-UHFFFAOYSA-N 455.371 6.552 50 10 JKGE C[C@]12CN(Cc3ccccc3)C[C@H]1CN(c1cccc(Br)c1CBr)C2 702109283 PYSNJMWZNIUWQW-LAUBAEHRSA-N 464.245 5.302 50 10 JKGE CC1(C)C[C@H]([C@H](Br)c2cc(Br)sc2Br)C(C)(C)O1 710058763 QUJOCCZQIZIPMN-PSASIEDQSA-N 461.057 6.303 50 10 JKGE C[C@H](Cl)C[C@@H]1CCCCN1C(=O)c1ccc(I)c(Br)c1 721571746 JALBHDLNESJCOC-JQWIXIFHSA-N 470.576 5.066 50 10 JKGE O=C(NN=Cc1ccc(-c2ccc(Cl)c(Cl)c2)o1)C(=O)Nc1ccc(Cl)c(Cl)c1 725401617 ZRAIRWVBTBJBLP-UHFFFAOYSA-N 471.127 5.649 50 10 JKGE Cc1c(C(=O)Nc2ccc(N=Nc3ccccc3)cc2)oc2c1C(=NNC(=O)c1ccncc1)CCC2 1772745998 PBPUBQXOWCKDQY-UHFFFAOYSA-N 492.539 6.121 50 10 JKGE N#CSc1ccc(NC(=O)Oc2ccc(CNC(=O)c3cccc(C(F)(F)F)c3)cc2)cc1 1858911098 MPKBHDNJQIXJKY-UHFFFAOYSA-N 471.460 5.819 50 10 JKGE CCCCOc1ccc([C@@H]2C(C#N)=C(N)Oc3c2c(C)nn3Cc2cccc(Cl)c2)cc1OCC 1865686924 FHHHXFJGEXFRPF-RUZDIDTESA-N 493.007 5.689 50 10 JKGE CCOc1cc([C@@H]2C(C#N)=C(N)Oc3c2c(C)nn3-c2ccccc2)ccc1OCc1ccccc1C 1865702746 DKRCIAHSQZIXMQ-MUUNZHRXSA-N 492.579 5.685 50 10 JKGE Cc1nn(-c2ccccn2)c2c1[C@H](c1c(OCc3ccccc3)ccc3ccccc13)C(C#N)=C(N)O2 1865704334 SWECWHQVMJFHGJ-MUUNZHRXSA-N 485.547 5.526 50 10 JKGE CCc1nn(Cc2ccccc2)c2c1[C@H](c1ccc(N(CC)Cc3ccccc3)cc1)C(C#N)=C(N)O2 1865706612 ALDZJYZSLBMZHV-MUUNZHRXSA-N 489.623 5.738 50 10 JKGE CCc1ccc([C@H]2C(C#N)=C(N)Oc3c2c(-c2ccc(OC)cc2)nn3-c2ccc(OC)cc2)cc1 1865708967 KIMFJRVWCIQVQG-VWLOTQADSA-N 478.552 5.337 50 10 JKGE CC(C)CSc1ccc(C(=O)N/N=C/c2c(C(C)C)nc3c(Cl)cc(C(F)(F)F)cn23)cc1 1865760562 DJJBNRPXYPBUGO-ORBVJSQLSA-N 496.986 6.642 50 10 JKGE N#CSc1ccc(NC(=O)[C@@H](Cc2ccc(F)cc2)NC(=O)CCc2c[nH]c3ccccc23)cc1 1866573378 VZVUWQOSGFYLCA-RUZDIDTESA-N 486.572 5.179 50 10 JKGE CC[C@@](C)(NC(=O)[C@H](c1ccc(Cl)c(Cl)c1)C(C)C)C(=O)Nc1ccc(SC#N)cc1 1866997206 RRIAVAIRWZRBTL-NZQKXSOJSA-N 478.445 6.230 50 10 JKGE CCCC[C@@H](NC(=O)CCc1csc(-c2ccccc2)n1)C(=O)Nc1ccc(SC#N)cc1 1867047168 HGTKXRXFTZRNIB-JOCHJYFZSA-N 478.643 5.630 50 10 JKGE COc1ccc(/C=C(C(/O)=C(\C#N)c2nc(-c3ccc(F)cc3)cs2)\c2ccccc2)cc1OC 1872753387 UWVOVGNYNNEDQK-BJGRWJNTSA-N 484.552 7.000 50 10 JKGE COc1cc(Cl)c(C)cc1-c1csc(/C(C#N)=C(\O)[C@H](C)Oc2ccc(Cl)cc2Cl)n1 1872756850 DIELPAFTKXXAHT-OBZJLHOISA-N 495.815 7.348 50 10 JKGE CCc1cccc(CC)c1N1C[C@H](/C(O)=C(\C#N)c2nc(-c3ccc4ccccc4c3)cs2)CC1=O 1873941086 VTCFTHNJSWLNMV-DDXGQXFKSA-N 493.632 6.934 50 10 JKGE C[C@H](CBr)N(Cc1ccccc1)C(=O)c1cc(C(F)(F)F)ccc1Br 1914225824 AMGKCXSMSSERIV-GFCCVEGCSA-N 479.134 5.894 50 10 JKGE CCc1nn(C)c(CN(Cc2ccccc2)[C@@H](CBr)C(C)C)c1Br 1915267822 GRCJJJLHCHLBFN-KRWDZBQOSA-N 457.254 5.167 50 10 JKGE Cc1c(Br)sc([C@H](Br)[C@H]2CCc3ccccc3C2)c1Br 1922881545 IXYCVDINXGSCNN-GXTWGEPZSA-N 479.075 6.823 50 10 JKGE Cc1c(Br)sc([C@H](Cl)c2ccc(S(C)(=O)=O)cc2)c1Br 1922898141 SNQWGVRRIDGEAU-LLVKDONJSA-N 458.624 5.313 50 10 JKGE Cc1c(Br)sc([C@H](Cl)c2sccc2Br)c1Br 1922929796 LUAUTIJNFSFKJA-SSDOTTSWSA-N 465.457 6.734 50 10 JKGE Cc1c(Br)sc([C@H](Cl)Cc2cccc(Br)c2)c1Br 1922942729 SBRBTYKLHNXZQI-SNVBAGLBSA-N 473.455 6.867 50 10 JKGE Cc1c(Br)sc([C@@H](Br)c2cc(F)ccc2Cl)c1Br 1922954485 OTPCSIPDJIJBHM-JTQLQIEISA-N 477.418 6.858 50 10 JKGE C[C@H](c1ccncc1Br)[C@H](Br)c1cccc(F)c1I 1924052622 NNDSDCFBFMTXEB-OQPBUACISA-N 498.959 5.828 50 10 JKGE COc1csc([C@H](Cl)c2c(Br)sc(Br)c2Br)c1 1924583275 ICKURNXUDBHSCU-QMMMGPOBSA-N 481.456 6.434 50 10 JKGE C[C@H]1COc2ccc([C@H](Br)c3csc(Br)c3Br)cc21 1925682986 AWTXFWAJPBEAMW-MADCSZMMSA-N 467.020 6.253 50 10 JKGE Clc1sc([C@H](Br)c2cscc2OCc2ccccc2)cc1Br 1934837797 DCAWMMDBUFAPFF-OAHLLOKOSA-N 478.658 7.289 50 10 JKGE Cc1nn(C)c(Br)c1[C@H](Br)c1cc(Cl)c(Br)s1 2013201353 CJVFLLDLSAKUTB-MRVPVSSYSA-N 463.420 5.453 50 10 JKGE BrCc1cc(Br)cc(Br)c1OC[C@H]1C[C@H](Br)C1 2020239674 SFTMXPRPEWQOQL-XWEPSHTISA-N 491.843 5.659 50 10 JKGE Cc1cc(Br)c(F)c([C@H](Cl)c2cc(Br)sc2Br)c1 2028922672 CXORYTRKPBEXPU-JTQLQIEISA-N 477.418 6.811 50 10 JKGE C[C@@]1(CBr)CCCCN1C(=O)c1csc(Br)c1Br 2032956546 TYMBCRJGXPEGGS-LBPRGKRZSA-N 460.029 5.053 50 10 JKGE COc1ccc(C(C#N)=Cc2c(-c3ccc(Cl)cc3)nc3sc4c(n23)CCCC4)cc1OC 2040742182 OIUVTSIGGCNMMF-UHFFFAOYSA-N 476.001 6.676 50 10 JKGE Cl[C@@H](c1c(Br)sc(Br)c1Br)[C@H]1CC2(CCC2)CO1 2047664263 MHZOZFFAMYKUTN-HZGVNTEJSA-N 479.459 6.275 50 10 JKGE Clc1ccc(CC(CBr)(CBr)C2CCC2)cc1Br 2047991597 YHTIQEBNEQFPHA-UHFFFAOYSA-N 459.447 6.221 50 10 JKGE FC1(F)CC[C@@H]2[C@H]([C@@H](Cl)c3c(Br)sc(Br)c3Br)[C@H]21 2051242068 VZEFOQJDFFBAFL-XUDVJHNBSA-N 485.413 6.607 50 10 JKGE Cc1c(Br)sc([C@H](Br)C[C@@H]2CCC[C@@H]3C[C@@H]23)c1Br 2057347869 YJXSWYAPEMCTTM-LMLFDSFASA-N 457.069 6.844 50 10 JKGE Cl[C@@H](c1c(Br)sc(Br)c1Br)[C@@H]1C[C@@H]2CC[C@H](C1)O2 2061008231 LOHKSIXKDNFZEA-JTGULSINSA-N 479.459 6.273 50 10 JKGE Cc1c([C@H](Cl)c2cc(Br)ccc2Br)c(Br)nn1C 2067860648 PFIDZLQHHKRKJW-LLVKDONJSA-N 457.391 5.344 50 10 JKGE Clc1cc(Br)cc(C[C@@H](Br)c2ccc(Br)cc2)c1 2081565007 ASCBDCLPLFIVSW-CQSZACIVSA-N 453.399 6.544 50 10 JKGE COc1cc(Cl)c([C@H](Br)c2cc(Br)cs2)cc1Br 2082371607 IXWGGYYFUZZAGT-LBPRGKRZSA-N 475.427 6.419 50 10 JKGE COc1cc(F)c([C@@H](Br)c2cc(Br)cs2)cc1Br 2082783675 UVHQMPFMFMGTPU-GFCCVEGCSA-N 458.972 5.905 50 10 JKGE Cl[C@H](c1ccc(I)c(Br)c1)c1ncn2ccsc12 2083996994 DIPCRBCFMVHCFI-SNVBAGLBSA-N 453.530 5.091 50 10 JKGE Clc1ccc([C@@H](CBr)Cc2cccc(Br)c2Br)cc1 2092335101 KQQMYPZLPIDCSO-GFCCVEGCSA-N 467.426 6.586 50 10 JKGE COc1sc([C@H](Br)c2c(F)cc(Br)cc2F)cc1Br 2095777723 ZHWQSHOODGYNFF-NSHDSACASA-N 476.962 6.044 50 10 JKGE Clc1cc(Br)cc(Oc2c(CBr)ccc(Br)c2Cl)c1 2098108605 DIEDVFHEDZRECE-UHFFFAOYSA-N 489.816 7.206 50 10 JKGE CC1(C)C[C@@H](n2c(CCl)nc3cc(I)ccc32)CN1Cc1ccccc1 2098282071 MFXKUXUIKBKVKS-QGZVFWFLSA-N 479.793 5.605 50 10 JKGE FC1(F)CCC[C@@H]2[C@H]([C@@H](Br)c3c(Br)sc(Br)c3Cl)[C@@H]21 2114391291 FSMRDGZWWJCEQU-IXROVEORSA-N 499.440 7.044 50 10 JKGE CCOc1ccc([C@H](Br)c2cc(Br)c(Cl)s2)cc1Br 2115943532 WXNUXCLHFAZJDD-LBPRGKRZSA-N 489.454 6.810 50 10 JKGE O=C(c1cc(Br)sc1Br)N1C[C@@H](Br)C2(CCCC2)C1 2117750222 VLBNKDNPYDFEAH-SECBINFHSA-N 472.040 5.053 50 10 JKGE O=C(NCC[C@H]1CCCC[C@@H]1Br)c1cc(Br)sc1Br 2123029574 IRXNMTYPQSNJLS-SCZZXKLOSA-N 474.056 5.347 50 10 JKGE O=S(=O)(c1ccc(Cl)c(CBr)c1)N(Cc1ccccc1)C1CCCCC1 2123200249 FPTWQKSBQSHPOO-UHFFFAOYSA-N 456.833 5.759 50 10 JKGE O=C(c1cc(Br)sc1Br)N1[C@H]2CC[C@@H]1C[C@H](CBr)C2 2128149667 LWJRCWHCFATUEZ-AYMMMOKOSA-N 472.040 5.051 50 10 JKGE CC(C)C(COc1c(Br)cc(Br)cc1CBr)C(C)C 2132574861 WRFMCIHSXGHBGL-UHFFFAOYSA-N 457.044 6.414 50 10 JKGE CCN(C[C@](C)(CI)OC[C@@H]1C[C@H]1C1CCCCC1)C(=O)OC(C)(C)C 2135790379 QNMZSRIJVKPPNT-WFXMLNOXSA-N 479.443 5.670 50 10 JKGE Cc1c(Br)ccc([C@@H](Br)[C@H]2CCCOC2(C)C)c1Br 2138852806 OXKFOLRAIZPHSB-BXUZGUMPSA-N 455.028 6.161 50 10 JKGE Cc1c(Br)sc([C@@H](Br)[C@H]2C[C@H]3COC[C@H](C3)C2)c1Br 2141800460 RLOFGKIMOWYWMM-WYFGTUCQSA-N 473.068 6.080 50 10 JKGE COc1cc(Br)c(C)cc1[C@@H](Br)c1ccc(Cl)c(Br)c1 2145958283 UNEWSXZCMKIBLP-HNNXBMFYSA-N 483.425 6.666 50 10 JKGE CN(c1cc(CBr)sc1[N+](=O)[O-])C1C[C@@H]2CC[C@H](C1)N2Cc1ccccc1 2151247963 YFKBJGSJXRFQFD-SJPCQFCGSA-N 450.402 5.183 50 10 JKGE C[C@@H](Br)C12CCC(CC1)N2C(=O)c1ccc(Br)cc1Br 2153386000 KHOKNSAYZBJPBJ-IWPPJYEWSA-N 466.011 5.132 50 10 JKGE C[C@@H](Cl)c1nc2cc(Br)c(Cl)cc2n1C1(CCOCc2ccccc2)CC1 2160078789 MBMKIMMCCNUASP-CQSZACIVSA-N 468.222 6.848 50 10 JKGE CCC[C@H]1CN(C(=O)c2cc(Br)cc(Br)c2)C[C@@H]1CBr 2205704163 PVLLJGPJOIOLFW-JQWIXIFHSA-N 468.027 5.095 50 10 JKGE COc1c(C)cc(Br)cc1[C@@H](Br)c1ccc(Br)cc1C 2206598943 RLZJNYUDKASTMT-HNNXBMFYSA-N 463.007 6.321 50 10 JKGE Cc1ccc([C@H](Br)c2sccc2Br)cc1I 2210200048 LPIADGXISJKWDW-NSHDSACASA-N 471.983 5.908 50 10 JKGE CCN(C)C[C@H](Cl)Cc1sc(Br)c(Br)c1Br 2212190288 VVOMNEZJRXGFGY-ZCFIWIBFSA-N 454.453 5.137 50 10 JKGE Cc1cc(Br)c([C@H](Cl)c2cc(I)sn2)c(C)c1Cl 2217619306 XKVMQSQRUJOVOB-GFCCVEGCSA-N 476.992 6.109 50 10 JKGE Cc1cc(Br)c([C@H](Br)C[C@H]2CO[C@H](C)C2)c(C)c1Br 2227347745 KAHVJLLGINFNPN-SUZMYJTESA-N 455.028 6.080 50 10 JKGE Cc1cc(Br)c([C@H](Br)[C@@H](C)[C@H]2CCCO2)c(C)c1Br 2227362949 RWGIDZCXHLJXIX-TURKWSHLSA-N 455.028 6.080 50 10 JKGE Fc1cc(F)c([C@H](Cl)c2cc(Br)c(Cl)s2)c(F)c1Br 2227803453 LRFDEGXSOFBSBU-SECBINFHSA-N 454.920 6.672 50 10 JKGE Cc1ccc(I)c([C@H](Br)c2ccc(C)c(Br)c2C)c1 2232219445 GJUUTHMAEZHBLE-MRXNPFEDSA-N 494.008 6.463 50 10 JKGE FC1(F)CCCC[C@@H]1[C@@H](Br)c1c(Br)cc(Cl)c(Cl)c1Cl 2232510550 HRLXLVYAHUONHV-LHLIQPBNSA-N 471.394 7.671 50 10 JKGE CCOCc1cc(Br)c([C@@H](Br)c2c(Br)c(C)nn2C)s1 2233020356 WQYCRJDEHTVWSL-NSHDSACASA-N 487.055 5.336 50 10 JKGE COCc1ccc([C@H](Br)c2cc(Br)c(Br)cc2F)cc1 2233976817 QGFLYDHPODZTMD-HNNXBMFYSA-N 466.970 5.981 50 10 JKGE Cc1cc(Br)c([C@@H](Br)c2cc(Cl)ccc2F)c(C)c1Br 2235603595 KDLQJUOLAMEGIC-HNNXBMFYSA-N 485.416 7.105 50 10 JKGE Cc1sc([C@H](Br)c2ccc(Cl)c(Br)c2)c(Br)c1C 2253506491 YBQOUUKRAYQWBJ-GFCCVEGCSA-N 473.455 7.028 50 10 JKGE CCCCc1ccc([C@H](Br)c2cc(Cl)ccc2I)s1 2264369095 SESSMRMLBSEFGV-OAHLLOKOSA-N 469.613 6.833 50 10 JKGE Fc1cc(Br)c(F)c(Br)c1[C@@H](Br)[C@@H]1[C@H]2CCCC[C@H]21 2272841733 NMLLHZZRARQZOB-MYVOQBSASA-N 458.966 6.362 50 10 JKGE C[C@@H]1CCC[C@@H]([C@@H](Br)Cc2cc(Br)cc(Br)c2)CC1 2277953279 PORLJJHFVHQFPX-KFNAQCHYSA-N 453.056 6.734 50 10 JKGE CC(C)c1cc(Br)cc([C@H](Cl)c2ccc(Br)cc2Br)c1 2280667335 GRQSZMLIBSJYKB-INIZCTEOSA-N 481.453 7.426 50 10 JKGE COc1ccc(OC)c([C@@H](Br)c2ccc(Cl)c(I)c2)c1 2283587073 PFHWRZCICJPIIF-HNNXBMFYSA-N 467.528 5.446 50 10 JKGE Clc1cc2c(c([C@@H](Br)c3ccc(Cl)c(I)c3)c1)OCC2 2283587320 SMJBDUVUYBYHKZ-AWEZNQCLSA-N 483.958 6.017 50 10 JKGE C[C@H](c1ccccc1)[C@H](Br)c1c(F)cc(Br)c(F)c1Br 2288364136 RKCBLPHTFLMWQO-OQPBUACISA-N 468.961 6.730 50 10 JKGE Cc1ccccc1[C@@H](CI)OCc1cc(Br)ccc1Cl 2295174049 TZYBUFDELONIKJ-MRXNPFEDSA-N 465.556 6.104 50 10 JKGE Cc1cc(C=C(C#N)C(=O)OCC(=O)Nc2nc(-c3cc(F)ccc3F)cs2)c(C)n1CC(C)C 2297363942 BQLIESUPCNIFPV-UHFFFAOYSA-N 498.555 5.252 50 10 JKGE Cc1ccc2nc(C(C#N)=Cc3cc(Br)ccc3OCc3ccc(C(=O)O)cc3)[nH]c2c1 2297369670 SFNHJPCKZXQZOP-UHFFFAOYSA-N 488.341 5.975 50 10 JKGE CCOc1ccccc1NC(SCc1ccc(C)cc1C)=C(C#N)C(=O)NCc1cccs1 2297414600 VUYMDECBUYTFPH-UHFFFAOYSA-N 477.655 6.161 50 10 JKGE COc1ccc(C=C(NC(=O)c2ccccc2)C(=O)NN=C(C)C=CC=Cc2ccccc2)cc1OC 2297498408 FTDHOBOWEDRCEE-UHFFFAOYSA-N 495.579 5.236 50 10 JKGE CCOC(=O)C(C#N)=Cc1cc(Cl)c(OCCOc2ccc(Br)cc2)c(OCC)c1 2297499558 LZIOAZXXSKEMSZ-UHFFFAOYSA-N 494.769 5.429 50 10 JKGE COc1ccccc1OCCOc1ccc(C=C(C#N)C(=O)Nc2nc3ccccc3s2)cc1 2297500115 KLWYZIQPIPXWLY-UHFFFAOYSA-N 471.538 5.308 50 10 JKGE Brc1ccc(OCc2ccccc2)c([C@H](Br)[C@@H]2CCC[C@@H]3C[C@H]32)c1 2299501242 MELPQNRTPVPBTN-QTQZEZTPSA-N 450.214 6.900 50 10 JKGE CCC1(C)CC([C@H](Br)c2ccc(OCc3ccccc3)cc2Br)C1 2299525300 MJHCOGIKJPKKPH-WJAMPBCPSA-N 452.230 7.290 50 10 JKGE CCCc1sc(Br)cc1[C@@H](Br)c1cscc1Br 2300648028 AUEFLHRSGCRSSU-GFCCVEGCSA-N 459.066 6.771 50 10 JKGE CCCOc1c(Br)cc(C=C(C#N)C(=O)Nc2cc(C)ccc2C)cc1OCC 2313518062 CCNZUVGGTVOXQL-UHFFFAOYSA-N 457.368 5.799 50 10 JKGE Brc1cc(OCc2ccccc2)ccc1[C@H](Br)[C@@H]1C[C@@H]1C1CCCC1 2314443416 GOJAGXQFQRJNHR-SJBKTWHCSA-N 464.241 7.290 50 10 JKGE FC(F)(F)[C@@H]1CC[C@@H]1[C@H](Br)c1ccc(OCc2ccccc2)cc1Br 2314444677 OGORDLZQBFWSAZ-LESCRADOSA-N 478.146 7.053 50 10 JKGE Brc1ccc(OCc2ccccc2)c([C@@H](Br)[C@H]2CC[C@@H]3C[C@H]2CO3)c1 2314494816 LTXOXXVMRSYNSX-DKXUYOFUSA-N 466.213 6.279 50 10 JKGE Clc1ccccc1C[C@H](Br)c1ccc(OCc2ccccc2)cc1Br 2314499723 GFUJQVJQTCYXDS-IBGZPJMESA-N 480.627 7.360 50 10 JKGE Cc1cccc(NC(=O)C(C#N)=Cc2c(Oc3ccc(Cl)cc3)nc3c(C)cccn3c2=O)c1 2314533902 UZNFJDXDOSTMDY-UHFFFAOYSA-N 470.916 5.303 50 10 JKGE N#CC(=Cc1ccc(-c2ccc(Cl)cc2Cl)o1)C(=O)Nc1cc(C(F)(F)F)ccc1Cl 2314571683 KCPVCDHMQKATEJ-UHFFFAOYSA-N 485.676 7.471 50 10 JKGE CCc1ccc(N2C(=O)[C@H](Cc3ccc(C)cc3)SC2=C(C#N)C(=O)NCc2ccccc2)cc1 2314593211 JPIZNSMRMOVQGG-SANMLTNESA-N 481.621 5.300 50 10 JKGE CCOc1cc(C=C2C(=O)N([C@H](C)CC)C(=O)C(C#N)=C2C)ccc1OCc1ccccc1Cl 2314611267 RVJFBOVDTICFIG-QGZVFWFLSA-N 478.976 5.708 50 10 JKGE COc1ccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)C=Cc4ccccc4Cl)ccc32)c(OC)c1 2314634595 MGFZVOBVXIQTSZ-AREMUKBSSA-N 488.927 5.194 50 10 JKGE CCCCCOc1ccccc1[C@H]1C(C#N)=C(N)Oc2cc(OC(=O)C=Cc3ccccc3)ccc21 2314640618 DEZOMODZBACHCB-GDLZYMKVSA-N 480.564 6.093 50 10 JKGE C=CCc1ccccc1OCC(=O)Oc1ccc(C=C(C#N)c2ccc(Cl)cc2)cc1OC 2314810467 BYKVCNGJSDJNQF-UHFFFAOYSA-N 459.929 6.126 50 10 JKGE CO[C@@H]1C[C@H]([C@@H](Br)c2sc(Cl)cc2I)C12CCC2 2316598063 ZLMOUARLPFTRPL-BCMRRPTOSA-N 461.590 5.647 50 10 JKGE Cc1c(Cl)cccc1NC=C(C#N)C(=O)N1CCN(C(c2ccccc2)c2ccccc2)CC1 2318454849 HRSBFZDYLKOATP-UHFFFAOYSA-N 471.004 5.402 50 10 JKGE COc1ccccc1OCC(=O)NN=Cc1ccc(OC)c(OCc2ccc(Cl)cc2Cl)c1 2321707060 QAFDSFZPRDBNDD-UHFFFAOYSA-N 489.355 5.119 50 10 JKGE CCOc1cc(C=NNC(=O)c2ccccc2)ccc1OCc1ccc(Br)cc1 2322997496 JTEVQVKITAPXIG-UHFFFAOYSA-N 453.336 5.191 50 10 JKGE CCOC(=O)c1c(NC(=O)C(C#N)=Cc2cccc(F)c2)sc(C)c1-c1ccc(Cl)cc1 2329674113 ZMMAWFSBMMXKPB-UHFFFAOYSA-N 468.937 6.238 50 10 JKGE CCCCc1ccc(N2C[C@@H](C(O)=C(C#N)c3nc(-c4ccc(OC)c(C)c4)cs3)CC2=O)cc1 2331259345 RXUASGWUVNGGIP-NRFANRHFSA-N 487.625 6.316 50 10 JKGE CCCOc1ccc(-c2csc(C(C#N)=C(O)Cc3ccc(OC(C)C)cc3)n2)cc1OCCC 2331293165 ATQJFQCNUZTDOX-UHFFFAOYSA-N 492.641 7.210 50 10 JKGE CCCCCCCOc1ccc(-c2csc(C(C#N)=C(O)C=Cc3ccc(OC)cc3)n2)cc1 2331345497 PEWVBMMMRIESQR-UHFFFAOYSA-N 474.626 7.674 50 10 JKGE COc1cc(-c2csc(C(C#N)=C(O)CCCOc3c(C)cccc3C)n2)c(OC)cc1Cl 2331377021 ZDVYMPFFSWCMOO-UHFFFAOYSA-N 485.005 6.749 50 10 JKGE COc1cc(OC)c(-c2csc(C(C#N)=C(O)CCCOc3c(C)cccc3C)n2)cc1Cl 2331378601 GMSWSWLBKBJKSD-UHFFFAOYSA-N 485.005 6.749 50 10 JKGE N#CC(=Cc1ccc(OCc2ccc(Cl)cc2)cc1)c1nc(-c2ccc(Cl)cc2Cl)cs1 2331421850 XHIPFLYHGKQZGL-UHFFFAOYSA-N 497.834 8.413 50 10 JKGE CCCOc1ccc(C=C(C#N)c2nc(-c3cccc(Br)c3)cs2)cc1OCC 2331431899 BQQRZVWNOZUITK-UHFFFAOYSA-N 469.404 6.824 50 10 JKGE COc1cc(C=C(C#N)c2nc(-c3ccc(Cl)s3)cs2)ccc1OCCc1ccccc1 2331484962 GDDOAMZGUOSOPB-UHFFFAOYSA-N 479.026 7.219 50 10 JKGE CCCCC1CCC([C@@H](Br)c2sc(Cl)cc2I)CC1 2338774004 SXRQDOUVVREJHY-QIMFLAQGSA-N 475.661 7.439 50 10 JKGE Cc1cc(Br)c(F)c(Br)c1[C@H](Br)[C@@]12CCOC[C@H]1C2 2339657048 UCJQXNBYHJNJKR-NFMODRRSSA-N 456.975 5.522 50 10 JKGE Fc1cc(Cl)c(Br)cc1[C@H](Cl)c1ccc(Cl)cc1I 2340065808 WUKSRBDXPLVKPE-CYBMUJFWSA-N 494.356 6.828 50 10 JKGE CO[C@]1(C(F)F)C[C@H]([C@@H](Br)c2sc(Br)c(C)c2Br)C1 2343018159 YLGIAZWZZHGBIB-GFJAWQGPSA-N 483.010 6.078 50 10 JKGE Cc1cccc([C@@H](Br)c2c(C)cc(Br)c(F)c2Br)c1Cl 2365184946 GUPBNRXXMZHJCP-GFCCVEGCSA-N 485.416 7.105 50 10 JKGE CCC(F)(F)C(C)(C)[C@@H](Br)c1c(C)cc(Br)c(F)c1Br 2365220351 VLRXRCASDHULCP-LBPRGKRZSA-N 480.988 7.167 50 10 JKGE COc1c(Br)cc(C)c([C@H](Br)C(F)(F)CC2CC2)c1Br 2365234086 HXSLBZVOHAYYCR-ZDUSSCGKSA-N 476.981 6.400 50 10 JKGE COc1c(C)cc(C)cc1[C@H](Br)c1ccc(Cl)cc1I 2365596945 YMNQGFQOAQUHQH-OAHLLOKOSA-N 465.556 6.054 50 10 JKGE Cl[C@@H]1C[C@H](OCc2cc(I)ccc2Br)C12CCCCC2 2367602427 SHEJPOLMUFOZFQ-CABCVRRESA-N 469.588 5.901 50 10 JKGE ClC[C@H](Cc1ccc(Cl)cc1)Cc1ccc(I)c(Br)c1 2377331045 TWVAUGRDGDYLBM-CYBMUJFWSA-N 484.002 6.347 50 10 JKGE ClC[C@H]1CN(Cc2ccc(I)c(Br)c2)CC12CCCC2 2377347842 POJXYCHWIQRLEB-ZDUSSCGKSA-N 468.604 5.285 50 10 JKGE C/C(=N/NC(=O)COc1ccc(C(C)(C)C)cc1Br)c1ccc(Br)cc1 5909866 SRZSIYSEEOKZNP-QRVIBDJDSA-N 482.216 5.428 50 10 JKGE CCOc1cc(/C=N/NC(=O)[C@@H]2C[C@@H]2c2ccc(C(C)(C)C)cc2)ccc1OC(=O)c1ccco1 33386233 YFUPGVWZDDSBPC-QPNCLSKXSA-N 474.557 5.449 50 10 JKGE CCOc1ccc(NC(=O)/C(C#N)=C\c2c(Oc3cc(C)cc(C)c3)nc3c(C)cccn3c2=O)cc1 33694867 UQZNOYQAYLCITF-PGMHBOJBSA-N 494.551 5.356 50 10 JKGE COc1cc(/C=C2/C(=O)N(Cc3ccc(C)cc3)C(=O)C(C#N)=C2C)ccc1OCCC(C)C 38608426 DEHMTHZOEQZUPI-OEAKJJBVSA-N 458.558 5.221 50 10 JKGE Cc1ccc(Oc2nc3c(C)cccn3c(=O)c2/C=C(/C#N)C(=O)Nc2cc(C)ccc2C)c(C)c1 39858874 ISDMEDPGYZXZNP-JCMHNJIXSA-N 478.552 5.575 50 10 JKGE COc1cc(/C=N/NC(=O)CSc2nc(-c3ccccc3)cs2)ccc1OCCC(C)C 40924527 LHPFIBUUXXFYTH-AFUMVMLFSA-N 469.632 5.486 50 10 JKGE CCOc1ccc([C@H](O)CCC(=O)N/N=C\c2cn(Cc3cccc(C)c3)c3ccccc23)cc1 58893489 VMLFQTZGVDFFJN-ZOUCTGKASA-N 469.585 5.361 50 10 JKGE CC(C)(C)c1ccc(CS/C(Nc2cccc(Cl)c2)=C(/C#N)S(=O)(=O)c2ccccc2)cc1 96482169 SOTMFBBMCWCNJG-IZHYLOQSSA-N 497.085 7.149 50 10 JKGE CC(C)(C)c1ccc(OCCn2cc(/C=C(/C#N)C(=O)NC3CCCC3)c3ccccc32)cc1 96577019 UMCDZGMMNWEJOX-UZYVYHOESA-N 455.602 5.984 50 10 JKGE CC1CCC(NC(=O)[C@@H](c2ccc(Cl)cc2)N(CCc2ccc(Cl)cc2)C(=O)CCl)CC1 97914755 PIPRMZOACFFBNT-VJTJOGOTSA-N 495.878 6.040 50 10 JKGE CCCCCCCOc1ccc(C(=O)NNC(=O)CCC(=O)Nc2ccc(Cl)cc2Cl)cc1 100153692 YURCTRIYLHJOIS-UHFFFAOYSA-N 494.419 5.523 50 10 JKGE CCCCCCCCCCCCCC(=O)NNC(=O)COc1ccc(CC)cc1Br 100443082 TYLWMYXKNMFLFT-UHFFFAOYSA-N 483.491 6.239 50 10 JKGE CCOc1ccc(N2C(=O)[C@@H](Cc3cccc(C)c3)S/C2=C(/C#N)C(=O)Nc2ccc(C)cc2)cc1 101246203 UJBZWMYMMNDLHZ-SJCFVWOQSA-N 497.620 5.767 50 10 JKGE Clc1ccccc1C(CBr)(CBr)Cc1cc(Br)cs1 118671456 GTQYEFQLSDBDLN-UHFFFAOYSA-N 487.482 6.434 50 10 JKGE Cc1cc(Br)c([C@H](Br)c2ccc(C(C)(C)C)cc2)cc1Br 128799808 ZBHVEOXHBZRILL-QGZVFWFLSA-N 475.062 7.302 50 10 JKGE O=c1[nH]c2ccc([C@@H](Br)c3cc(Br)ccc3Br)cc2o1 161089078 OBIPIUGEEJVTKN-CYBMUJFWSA-N 461.935 5.130 50 10 JKGE CC1=C(C#N)C(=O)N(C(C)C)C(=O)/C1=C\c1cn(-c2ccccc2)nc1-c1ccc(OC(C)C)cc1C 214251561 XVOJFHZFVXWDGN-YSMPRRRNSA-N 494.595 5.636 50 10 JKGE Cc1sc(Br)cc1[C@H](Cl)c1ccc(I)c(Cl)c1 232344375 AQSWKKDIGUCXJZ-GFCCVEGCSA-N 461.977 6.405 50 10 JKGE Cc1sc([C@H](Cl)c2ccc(I)c(Cl)c2)cc1Br 232345558 KQOPYMMRGNWWFN-GFCCVEGCSA-N 461.977 6.405 50 10 JKGE O=C(c1ccc(Br)cc1Br)N(CCBr)Cc1ccccc1 232487556 RIGVIBAMGZYGIZ-UHFFFAOYSA-N 476.006 5.249 50 10 JKGE Fc1cccc(F)c1C[C@@H](Br)c1cc(Cl)ccc1I 236181233 UGDXCVWZNIIYBP-LLVKDONJSA-N 457.483 5.902 50 10 JKGE Fc1cc([C@H](Cl)c2cc(Br)sc2Br)c(F)cc1Br 236239567 GXELZLVRLOJVLK-JTQLQIEISA-N 481.381 6.642 50 10 JKGE COc1ccc(C=NNC(=O)COc2ccc(Cl)cc2)cc1OCc1ccccc1Cl 252611707 ILYGQIZWTDTFOH-UHFFFAOYSA-N 459.329 5.110 50 10 JKGE CCOc1ccc(C(=O)NN=Cc2c(OC(=O)c3cccc(C)c3)ccc3ccccc23)cc1 254393622 LOTKDYLGJSRHBD-UHFFFAOYSA-N 452.510 5.530 50 10 JKGE CCC(=NNC(=O)CSc1nc2ccccc2n1Cc1ccc(C)cc1)c1ccc(O)cc1 254655857 AWZVJJAFMBQNRQ-UHFFFAOYSA-N 458.587 5.121 50 10 JKGE CO[C@@H]1CCCC[C@H]1Oc1c(Br)cc(CBr)cc1Br 312056535 FWLALTUVWRWMMW-CHWSQXEVSA-N 457.000 5.443 50 10 JKGE CC1(C)CN(c2ccc(CBr)c(Br)c2)CCN1Cc1ccccc1 382652954 DBOKLGJFUAYOMG-UHFFFAOYSA-N 452.234 5.445 50 10 JKGE Fc1cccc(C(CBr)(CBr)Cc2ccsc2Br)c1 388751522 OYFCJGHAWNEFNT-UHFFFAOYSA-N 471.027 5.920 50 10 JKGE Cc1cc(Br)c([C@H](Br)Cc2ccc(Br)cc2F)s1 692781140 ITTZQAVKFCHQSY-LLVKDONJSA-N 457.000 6.399 50 10 JKGE Brc1cc2c(cc1[C@H](Br)c1ccsc1Br)CCO2 698588721 LZKCEQQERUVUDI-GFCCVEGCSA-N 452.993 5.692 50 10 JKGE Fc1cccc([C@H](Br)c2ccc(Br)s2)c1I 721672422 LFKZTWORINQDBR-JTQLQIEISA-N 475.946 5.739 50 10 JKGE O=C(NN=Cc1ccc(-c2cc(Cl)ccc2Cl)o1)c1cccc(I)c1 1084073686 BUSGVIVYHXHUKA-UHFFFAOYSA-N 485.108 5.622 50 10 JKGE COc1cc(C(=O)Nc2ccc(/C(C#N)=C/c3ccc(N(C)CCC#N)cc3)cc2)cc(OC)c1OC 1088710704 FCQKITPXSUWTOW-XQNSMLJCSA-N 496.567 5.379 50 10 JKGE CC(C)(C)OC(=O)N1C[C@@H](CBr)[C@H](c2cc(C(F)(F)F)cc(C(F)(F)F)c2)C1 1614612969 CAHQDACVRMPZQQ-RISCZKNCSA-N 476.255 6.070 50 10 JKGE O=C(NN=Cc1ccc(-c2ccc(Br)cc2)o1)c1ccc(-c2ccccc2Cl)o1 1772723548 YPHVAXFVQIJJSC-UHFFFAOYSA-N 469.722 6.386 50 10 JKGE O=C(CSc1nc(-c2ccccc2)cs1)NN=Cc1cccc(OCc2ccccc2)c1 1772755181 SJSFIKZRHBFXRF-UHFFFAOYSA-N 459.596 5.632 50 10 JKGE Cc1ccc(OCCCC(=O)NN=Cc2ccccc2OCc2ccccc2)c(Br)c1 1772755921 UZZKEPAECWDIJL-UHFFFAOYSA-N 481.390 5.646 50 10 JKGE COc1cc(C=NNC(=O)CSc2nc3ccccc3[nH]2)ccc1OCc1c(F)cccc1Cl 1772760471 PDGDLGWJAIXMOT-UHFFFAOYSA-N 498.967 5.185 50 10 JKGE CC(C)(C)c1ccc([C@@H]2C(C#N)=C(N)Oc3c2c(-c2ccccc2)nn3Cc2cccc(Cl)c2)cc1 1865682730 WNCAORYGBLQFBZ-RUZDIDTESA-N 495.026 6.767 50 10 JKGE COc1ccc(-c2nn(-c3ccc(OC)cc3)c3c2[C@H](c2ccc(C(C)C)cc2)C(C#N)=C(N)O3)cc1 1865686190 SEZIXCKOVOLARK-AREMUKBSSA-N 492.579 5.898 50 10 JKGE CCCc1nn(Cc2ccccc2F)c2c1[C@H](c1c(OC)ccc3ccccc13)C(C#N)=C(N)O2 1865688373 QOENSWCPGIKSQL-VWLOTQADSA-N 468.532 5.403 50 10 JKGE CCCOc1cccc([C@@H]2C(C#N)=C(N)Oc3c2c(-c2ccccc2)nn3Cc2cccc(F)c2)c1 1865693069 HLMDMSXDHQAJLG-RUZDIDTESA-N 480.543 5.744 50 10 JKGE CCCc1nn(Cc2cccc(F)c2)c2c1[C@H](c1cc(Br)ccc1F)C(C#N)=C(N)O2 1865702201 PFWQAVYAYGWDCM-HXUWFJFHSA-N 485.332 5.143 50 10 JKGE CCCOc1ccccc1[C@@H]1C(C#N)=C(N)Oc2c1c(-c1ccccc1)nn2-c1ccc(OC)cc1 1865702736 CYMNLNJHAMKAKR-RUZDIDTESA-N 478.552 5.555 50 10 JKGE CCc1ccc([C@H]2C(C#N)=C(N)Oc3c2c(-c2ccccc2)nn3Cc2c(F)cccc2Cl)cc1 1865708556 AZDYEXKIBXBIHT-DEOSSOPVSA-N 484.962 6.171 50 10 JKGE C[C@@H](/C(O)=C(\C#N)c1nc(-c2ccc(Cl)cc2Cl)cs1)N1C(=O)c2ccccc2C1=O 1872745136 WZIJKATYNYOYBA-WTAXECHQSA-N 470.337 5.594 50 10 JKGE COc1c(Cl)ccc(Cl)c1/C(O)=C(\C#N)c1nc(-c2ccc3ccccc3c2)cs1 1872745581 UKPIHRDFSJGMPV-PGMHBOJBSA-N 453.350 7.229 50 10 JKGE COC(=O)c1ccccc1N1C[C@H](/C(O)=C(\C#N)c2nc(-c3ccc(Cl)cc3)cs2)CC1=O 1872748203 NBDWFCCWCBRNJI-VGLIXDPASA-N 479.945 5.096 50 10 JKGE CCCOc1ccc(-c2csc(/C(C#N)=C(\O)c3ccccc3C(=O)c3ccccc3)n2)cc1 1872749611 ZQCBYGYREMDLOD-PNHLSOANSA-N 466.562 6.780 50 10 JKGE CC(C)(C)c1ccc(-c2csc(/C(C#N)=C(\O)CCCN3C(=O)c4ccccc4C3=O)n2)cc1 1872750656 IXVGCAKNFJOILB-LNVKXUELSA-N 471.582 5.977 50 10 JKGE CCOc1ccc(/C=C/C(O)=C(\C#N)c2nc(-c3ccc(Oc4ccccc4)cc3)cs2)cc1OC 1872753703 JLFBCXVDDSZSFN-ZKUDEMOXSA-N 496.588 7.516 50 10 JKGE COc1cc(C)c(-c2csc(/C(C#N)=C(O)/C(=C\c3ccccc3)c3ccccc3)n2)cc1C(C)C 1872753934 VIKVLERIRNSWIH-DDOPWUKMSA-N 492.644 8.284 50 10 JKGE N#C/C(=C(/O)c1ccc(Cl)c([N+](=O)[O-])c1)c1nc(-c2cc(Cl)ccc2Cl)cs1 1872758688 LQMSYNDUWFGTQU-ATVHPVEESA-N 452.706 6.628 50 10 JKGE CC(C)(C)OC(=O)N[C@H](CBr)Cc1cc(Br)cc(Br)c1 1882088361 QRGNYGDJFZRIOE-LBPRGKRZSA-N 472.015 5.042 50 10 JKGE Cc1cc([C@H](Br)c2c(C)nsc2Br)c(C)cc1Br 1912971698 BUBLEWGXMQJVDX-LBPRGKRZSA-N 454.025 6.078 50 10 JKGE Cc1ccc([C@@H](Cl)c2c(Br)sc(Br)c2Cl)c(Br)c1 1923037212 BJQROZWFHCWPAA-SECBINFHSA-N 493.873 7.326 50 10 JKGE CC(C)C[C@@H](C(C)C)[C@H](Br)c1c(Br)sc(Br)c1Cl 1923066154 MHTWXYKIYHDZFU-WPRPVWTQSA-N 481.519 7.681 50 10 JKGE CC(C)(C)c1ccc([C@H](Cl)c2c(Br)sc(Br)c2Cl)cc1 1923066444 PNILAOMOQUXCBJ-NSHDSACASA-N 457.058 7.552 50 10 JKGE Fc1cccc(Br)c1[C@H](Br)c1c(Cl)sc(Cl)c1Cl 1925590112 WVRYFMXUAQNAGH-QMMMGPOBSA-N 453.385 7.094 50 10 JKGE Clc1sc(Br)c(Cl)c1[C@H](Br)Cc1ccccc1Br 1925616946 GKGIAYIWTCCWAD-MRVPVSSYSA-N 493.873 7.259 50 10 JKGE C[C@@H]1CN(c2cccc(Br)c2CBr)[C@H](C)CN1Cc1ccccc1 1946773171 QYBWEANLRUFNMW-HZPDHXFCSA-N 452.234 5.443 50 10 JKGE Cl[C@H](c1c(Br)sc(Br)c1Br)[C@H]1[C@H]2CCCC[C@H]21 2002138598 HIXCGGZIMBMIKJ-XIVUIJJLSA-N 463.460 6.752 50 10 JKGE Cc1c(Br)sc([C@@H](Br)CC23CCC(CC2)C3)c1Br 2039381658 SFLLSADTTRFVFZ-XIRUVYRFSA-N 457.069 6.988 50 10 JKGE CCN(Cc1ccccc1)c1ccc(C=C(C#N)c2nc(O)c3c4c(sc3n2)C[C@H](C)CC4)cc1 2040446488 INTAMBBWVKNYTJ-LJQANCHMSA-N 480.637 6.612 50 10 JKGE Cc1nc([C@@H](Br)c2cc(F)c(Br)cc2F)c(Br)s1 2050330886 IJUGFGYQSZIDSM-VIFPVBQESA-N 461.951 5.739 50 10 JKGE Cc1nc([C@@H](Br)c2cc(C)c(Br)cc2C)c(Br)s1 2050331437 NFNJSXFDHUEQEN-NSHDSACASA-N 454.025 6.078 50 10 JKGE Cc1c(Br)sc([C@@H](Cl)c2c(Br)nn(C)c2C)c1Br 2067855334 QSAZVJVGKYBATF-QMMMGPOBSA-N 477.447 5.714 50 10 JKGE COc1cc(C)c([C@@H](Br)c2sccc2Br)cc1Br 2078003975 SMMYOFVRPQWNOP-GFCCVEGCSA-N 455.009 6.074 50 10 JKGE FC(F)(F)[C@@H]1C[C@@H]1C[C@H](Br)c1ccc(Br)cc1Br 2083339692 REOZLNLZOZMGHF-DRTBCBBWSA-N 450.918 6.236 50 10 JKGE Fc1cccc([C@H](Br)c2ccc(Br)cc2Br)c1Cl 2083340965 WYDGRARXVMPZHW-GFCCVEGCSA-N 457.362 6.488 50 10 JKGE Cc1c(F)ccc([C@@H](Br)c2cc(Br)sc2Br)c1C 2083353436 ZFUTZQVPJSCNKT-GFCCVEGCSA-N 457.000 6.513 50 10 JKGE COc1c(C)cc(Br)cc1[C@@H](Cl)c1csc(I)c1 2085634187 DROMJOPUADXWPE-LBPRGKRZSA-N 457.558 5.760 50 10 JKGE FC(F)(F)CC1([C@H](Br)c2cc(Br)ccc2Br)CCC1 2095623320 XQSFGLQIFQPOIH-LLVKDONJSA-N 464.945 6.770 50 10 JKGE Fc1cccnc1COc1c(Br)cc(Br)cc1CBr 2096967547 OMKGXRXRTIIQIG-UHFFFAOYSA-N 453.931 5.220 50 10 JKGE FC1(F)C[C@]12CC[C@@H]([C@H](Cl)c1c(Br)sc(Br)c1Br)C2 2099913888 BKSVJOWQMFOTHQ-ROXVQFJHSA-N 499.440 7.141 50 10 JKGE COc1ccc(Br)cc1[C@H](Br)c1nn(C)c(Cl)c1Br 2110726513 DNCZJBHSTGFNAR-VIFPVBQESA-N 473.390 5.091 50 10 JKGE Cc1cc(F)c(C[C@@H](Br)c2cccc(Br)c2)c(Br)c1 2116782059 KYPVCFWRLJWLJF-CYBMUJFWSA-N 450.971 6.338 50 10 JKGE Cc1c(Br)sc([C@H](Br)c2ccc3sncc3c2)c1Br 2120657221 NDAXWKUSVFKURM-LLVKDONJSA-N 482.060 6.676 50 10 JKGE COc1c(Br)cc(C)cc1[C@@H](Br)c1cccc(OCc2ccccc2)c1 2139006863 ZLTUXLPLNJAQLJ-NRFANRHFSA-N 476.208 6.829 50 10 JKGE COCC12CC([C@@H](Br)c3sc(Br)c(C)c3Br)(CO1)C2 2141162576 FQSWEEMXGKMALM-PKSQDBQZSA-N 475.040 5.213 50 10 JKGE Clc1cc(CC[C@@H](Br)CC2CCCCC2)ccc1I 2142936548 JQNWFISDCGELAO-CQSZACIVSA-N 455.605 6.611 50 10 JKGE C[C@@H](Cl)c1nc2ccc(C(F)(F)F)cc2n1CCCN(Cc1ccccc1)Cc1ccccc1 2145185462 WUAJJDBGEIIEJL-HXUWFJFHSA-N 485.981 7.447 50 10 JKGE CCOc1ccc([C@H](Cl)c2c(Br)cccc2Br)cc1Br 2150495520 XNKYPAOGGRPTMK-HNNXBMFYSA-N 483.425 6.701 50 10 JKGE ClCc1nc2cc(Br)c(Cl)cc2n1Cc1csc(Br)c1 2159872562 WLTRJASHBTYYRI-UHFFFAOYSA-N 455.002 6.063 50 10 JKGE Fc1cc(Cl)c(Br)cc1[C@H](Br)Cc1c(Cl)cccc1Cl 2161086077 PGGAOKMYCZIIHH-SECBINFHSA-N 461.383 7.227 50 10 JKGE Cn1nc([C@H](Cl)c2c(Br)cc(F)c(F)c2F)c(Br)c1Cl 2167043941 VIYHXEJADZDMPO-SSDOTTSWSA-N 452.883 5.344 50 10 JKGE Fc1cc(Br)cc(N2CC[C@H]3[C@H](CCCN3Cc3ccccc3)C2)c1CBr 2170697190 PJJHGEKWWOTUTR-UTKZUKDTSA-N 496.262 5.974 50 10 JKGE Cc1cc(Br)c(C)c([C@@H](Br)[C@H](C)c2ccccc2)c1Br 2201070770 CIGRYUFNQKIUEO-DIFFPNOSSA-N 461.035 7.068 50 10 JKGE Cc1cc(Br)c(C)c([C@H](Br)C23CC(C)(C2)O[C@H]3C)c1Br 2201071371 IDGHADKUHONXDJ-VJUFWYBQSA-N 467.039 6.222 50 10 JKGE Cc1cccc([C@H](Br)c2ccc(-c3cccs3)s2)c1I 2205863360 VURYXSSFCWNCJI-HNNXBMFYSA-N 475.214 6.874 50 10 JKGE FC1(F)C[C@H](Cl)[C@@H](c2sc(Br)c(Br)c2Br)C1 2212199910 HPXQNNKVKLZEIR-IMJSIDKUSA-N 459.375 6.156 50 10 JKGE Cl[C@H]1CN(C2CC2)C[C@H]1c1sc(Br)c(Br)c1Br 2216421067 PNBWJYGSJBTTKD-RQJHMYQMSA-N 464.448 5.205 50 10 JKGE Cc1ccc([C@@H](Br)Cc2cccc(Br)c2)cc1I 2217864464 KBGFAXVOWHKRED-AWEZNQCLSA-N 479.981 6.041 50 10 JKGE Cc1c(Br)sc([C@@H](Br)c2cc(F)ccc2Br)c1C 2218790598 MTFGUUQPAKHXFK-NSHDSACASA-N 457.000 6.513 50 10 JKGE Cc1cc([C@@H](Br)c2c(Br)cc(C)c(Br)c2C)cs1 2220151144 FNBHKINBFXGMPK-CQSZACIVSA-N 453.037 6.683 50 10 JKGE Cc1oc(Br)cc1[C@@H](Br)Cc1ccc(Br)cc1Cl 2221700979 YVZRRUVWBAWIMG-NSHDSACASA-N 457.387 6.445 50 10 JKGE Fc1cc(F)c([C@H](Br)c2ccc(Br)cc2)c(F)c1Br 2227806155 HNDZRZJONHAVJJ-LLVKDONJSA-N 458.897 6.113 50 10 JKGE FC(F)(F)[C@@H]1CCO[C@H]1[C@H](Br)c1cc(Br)ccc1Br 2231815530 XIXPOXKCBSQZBX-FBIMIBRVSA-N 466.917 5.615 50 10 JKGE CCC1CCC([C@H](Br)c2c(Br)cc(Cl)c(Cl)c2Cl)CC1 2232510576 HVKNOQOYKQUBAA-RPTIHFLNSA-N 463.468 8.062 50 10 JKGE Clc1cc(Br)c([C@H](Br)[C@@]23CCC[C@@H](C2)OC3)c(Cl)c1Cl 2232526582 JIYPHVAKCXRZDE-GTNLGMRDSA-N 463.424 6.805 50 10 JKGE CCc1cc([C@H](Br)c2cc(I)sn2)sc1Br 2243465204 RBMDPMOVEAXUTO-SECBINFHSA-N 493.027 5.618 50 10 JKGE FC(F)[C@@H]1CCC[C@@H]1[C@@H](Cl)c1c(Br)sc(Br)c1Br 2257873928 YBBCXJWAOCQALE-CPDSJTNBSA-N 487.429 6.997 50 10 JKGE Cc1cc(Br)c([C@H](Br)[C@]23CCCC[C@@H]2CC3)cc1Br 2273339042 ALIYYTQPIOMSTG-RLCCDNCMSA-N 451.040 6.926 50 10 JKGE COc1cc(OC)c([C@@H](Br)c2ccoc2Br)cc1Br 2278034788 RDBJEUCFVDLNQS-LBPRGKRZSA-N 454.940 5.306 50 10 JKGE CC[C@H](C)[C@H](CI)NC(=O)c1cc(Br)cc(C(C)C)c1 2280713670 RSWXCWFESAHHDC-NHYWBVRUSA-N 452.174 5.152 50 10 JKGE COc1ccc([C@@H](Cl)c2ccc(Cl)cc2Br)c(Br)c1Cl 2283555897 USEMPSFTACIPLK-ZDUSSCGKSA-N 459.392 6.855 50 10 JKGE Cc1cc(C)cc([C@@H](Br)c2c(F)cc(Br)c(F)c2Br)c1 2288373479 JJIGUCRUVGXSFO-CYBMUJFWSA-N 468.961 6.591 50 10 JKGE CCCOc1ccccc1C=C(C#N)C(=O)Nc1ncc(Cc2ccc(Cl)cc2Cl)s1 2293038599 NOELJHMSHAOSEQ-UHFFFAOYSA-N 472.397 6.375 50 10 JKGE Cc1cccc(C)c1OCCOc1c(Cl)cc(Cl)cc1C=C(C#N)C(=O)NCc1ccccc1 2293226931 YGMCKQDWHMVGTE-UHFFFAOYSA-N 495.406 6.291 50 10 JKGE CCOC(=O)c1c(NC(=O)C(C#N)=Cc2c(C)nn(-c3ccccc3)c2Cl)sc2c1CCCC2 2296833297 UWFCEOZUKLGICP-UHFFFAOYSA-N 495.004 5.497 50 10 JKGE CCCCCCCCOc1ccc(C=C2C(=O)N(CCCC)C(=S)N(CCCCl)C2=O)cc1 2297454820 VSPCOSGETBERFP-UHFFFAOYSA-N 493.113 6.194 50 10 JKGE CCOc1cc(C=C(C#N)C(=O)Nc2ccc(Cl)cc2)ccc1Oc1nc(Cl)ncc1F 2297533544 NARDRQBJJAGVFZ-UHFFFAOYSA-N 473.291 5.659 50 10 JKGE C[C@@H]1O[C@H](C)C[C@@H]1[C@H](Br)c1ccc(OCc2ccccc2)cc1Br 2299503371 FBBLMKWURMXVHL-ZQCAWNDQSA-N 454.202 6.278 50 10 JKGE Cc1ccc(C)c(NC(=O)C(C#N)=Cc2ccc(OCc3ccccc3C#N)c(Br)c2)c1 2313511073 MJPSQOUKGMCSDI-UHFFFAOYSA-N 486.369 6.062 50 10 JKGE Cc1ccc(NC(=O)C(C#N)=Cc2ccc(-c3ccc(Br)c(C)c3C)o2)cc1Cl 2313548658 BHVOKOWAZIEMDR-UHFFFAOYSA-N 469.766 6.833 50 10 JKGE Cc1ccc(C(=O)Oc2cccc(C=C(C#N)C(=O)Nc3ccc(Cl)c(Cl)c3)c2)cc1 2313631703 UOOYXZSLEOENRA-UHFFFAOYSA-N 451.309 6.067 50 10 JKGE COc1ccc(CNC(=O)C(C#N)=Cc2ccc(OCc3ccc(Cl)c(Cl)c3)cc2)cc1 2313738680 OFFYDJCNLKZGKG-UHFFFAOYSA-N 467.352 5.804 50 10 JKGE CCOC(=O)c1ccc(-c2ccc(C=C(C#N)c3nc(-c4ccc(C)cc4)c(NC(C)=O)s3)o2)cc1 2314432515 AQQMPFWNYRUQIR-UHFFFAOYSA-N 497.576 6.578 50 10 JKGE FC1(F)[C@@H]2[C@@H]([C@H](Br)c3ccc(OCc4ccccc4)cc3Br)CC[C@H]21 2314496975 GSPSZTOLPIFURF-QFHJOOASSA-N 472.167 6.755 50 10 JKGE CC1=C(C#N)C(=O)N([C@H](C)c2ccccc2)C(=O)C1=CNc1ccc(N=Nc2ccccc2)cc1 2314579546 WLTUGLLINNVMEC-HXUWFJFHSA-N 461.525 6.368 50 10 JKGE Cc1ccc(N2C(=O)[C@@H](Cc3ccccc3F)SC2=C(C#N)C(=O)N[C@H](C)c2ccccc2)cc1C 2314593116 HTCAHFJSCYROTG-FQRUVTKNSA-N 499.611 5.746 50 10 JKGE CCc1ccc(C[C@H]2SC(=C(C#N)C(=O)Nc3ccccc3)N(c3ccc(C(C)C)cc3)C2=O)cc1 2314593915 VXPLWHZFXOAUGK-HHHXNRCGSA-N 495.648 6.437 50 10 JKGE COc1cc(C=C2C(=O)N(Cc3ccc(C)cc3)C(=O)C(C#N)=C2C)ccc1OCc1ccccc1 2314616938 NHYVDDAUAAZFDT-UHFFFAOYSA-N 478.548 5.375 50 10 JKGE CC1=C(C#N)C(=O)N(C)C(=O)C1=Cc1cn(-c2ccccc2)nc1-c1ccc(OCC(C)C)c(C)c1 2314617530 ABRFRQBBJMBKQH-UHFFFAOYSA-N 480.568 5.105 50 10 JKGE CC1=C(C#N)C(=O)N([C@H](C)c2ccccc2)C(=O)C1=Cc1ccc(OCc2ccc(Cl)cc2)cc1 2314618670 RLIAPTYYUFMIJF-HXUWFJFHSA-N 482.967 6.272 50 10 JKGE COc1cc(C=C(C#N)c2ccc(Cl)cc2)ccc1OC(=O)COc1ccc(C(C)C)cc1 2314720656 XEAKKSRKBJZMKA-UHFFFAOYSA-N 461.945 6.521 50 10 JKGE CCCCCCOc1ccc(C=C(C#N)C(=O)Nc2ccc(Br)cc2Cl)cc1OC 2314951092 KPMJFCULWMDYRQ-UHFFFAOYSA-N 491.813 6.616 50 10 JKGE Cc1cc(Br)c(F)c(Br)c1[C@@H](Cl)c1cc(Br)sn1 2317396220 QCOUGTHJTCKYOO-JTQLQIEISA-N 478.406 6.206 50 10 JKGE COc1cc(C=NNC(=O)c2ccc3[nH]c4c(c3c2)CCCC4)ccc1OCc1ccc(Cl)cc1 2321672260 VPEORAZWWRGWHT-UHFFFAOYSA-N 487.987 6.052 50 10 JKGE ClC[C@@H](NCc1ccc(I)c(Br)c1)c1ccsc1 2325205367 WXQOWWXCTOTKAQ-CYBMUJFWSA-N 456.574 5.185 50 10 JKGE COc1cc([N+](=O)[O-])ccc1NC(=O)C(C#N)=CNc1ccc(-c2nc3ccc(C)cc3s2)cc1 2325225527 UKNUOFDUIKTAIF-UHFFFAOYSA-N 485.525 5.647 50 10 JKGE COc1cc(OC)c(OC)cc1C=C1Oc2cc(OCc3ccc(CCl)cc3)cc(C)c2C1=O 2325339834 XYJFPUKREUGPRA-UHFFFAOYSA-N 480.944 5.955 50 10 JKGE N#CC(=CNCCc1cccc(Br)c1)C(=O)NC1CCCCCCCCCCC1 2325489115 JJTOGKWONDQBSX-UHFFFAOYSA-N 460.460 5.778 50 10 JKGE CCCCCCCCCOc1ccc(C=C(C#N)c2nc3ccccc3s2)cc1Br 2331025620 YASQPIMPODELQC-UHFFFAOYSA-N 483.475 8.252 50 10 JKGE CCCCOc1ccc(C(O)=C(C#N)c2nc(-c3ccc(-c4ccccc4)cc3)cs2)cc1OCC 2331232122 WMPCUPICEDKUDK-UHFFFAOYSA-N 496.632 8.005 50 10 JKGE CC(C)c1ccc(-c2csc(C(C#N)=C(O)c3cc(C(F)(F)F)cc(C(F)(F)F)c3)n2)cc1 2331341559 HBKDCECASHVPBW-UHFFFAOYSA-N 482.449 7.921 50 10 JKGE N#CC(=C(O)C=Cc1ccccc1Cl)c1nc(-c2ccc(Oc3ccccc3)cc2)cs1 2331358854 VOKVVQDLGRQXSG-UHFFFAOYSA-N 456.954 7.762 50 10 JKGE CCOc1ccc(-c2csc(C(C#N)=C(O)c3cccc(OCC(C)C)c3)n2)c(OCC)c1 2331389106 SEBPFJACGFZLII-UHFFFAOYSA-N 464.587 6.592 50 10 JKGE COc1ccc(-c2csc(C(C#N)=C(O)c3ccc(Cl)cc3[N+](=O)[O-])n2)c(OC)c1OC 2331413882 TUGQQGDVKWFQLI-UHFFFAOYSA-N 473.894 5.347 50 10 JKGE COc1cccc(-c2csc(C(C#N)=Cc3cc(Br)c(OC(C)C)c(OC)c3)n2)c1 2331421508 VPDPRNLOHVWCHA-UHFFFAOYSA-N 485.403 6.441 50 10 JKGE CCN(Cc1ccccc1)c1ccc(C=C(C#N)c2nc(-c3ccc(F)cc3F)cs2)cc1 2331437945 WGJGAHABICILGD-UHFFFAOYSA-N 457.549 7.179 50 10 JKGE Brc1cc(Br)cc(C[C@H](Br)[C@@H]2CC[C@H]3C[C@@H]2CO3)c1 2335066513 LOEKTMMKDQRQTK-KAOXEZKKSA-N 453.012 5.333 50 10 JKGE ClCc1ccc(Br)cc1OCc1ccc(Cl)c(I)c1 2337277454 TXECNGOSOVOGHD-UHFFFAOYSA-N 471.947 6.025 50 10 JKGE COc1c(Br)cc(C)c([C@@H](Br)[C@@]23CCC[C@@H]2C3)c1Br 2339656695 QHGGZZQKXPJYKI-DFKRKDTASA-N 453.012 6.155 50 10 JKGE Cc1cc(Br)c(F)c(Br)c1[C@H](Br)[C@@]1(C)CCCOC1 2339685306 SCSHGSCTWLVAHF-KBPBESRZSA-N 458.991 5.912 50 10 JKGE COc1c(Br)cc(C)c([C@H](Br)[C@H]2CC[C@@H](C)O2)c1Br 2339692051 UIJOYLWDBWFHGJ-HLUHBDAQSA-N 457.000 5.532 50 10 JKGE CC(C)(C)[C@@H]1[C@H](Br)CCN1Cc1ccc(Cl)cc1I 2341008968 GBHXDUXCBHWVMW-OCCSQVGLSA-N 456.593 5.329 50 10 JKGE Clc1ccc(I)cc1COCc1ccc(CBr)cc1 2352273665 NUBXMACFXFTXSA-UHFFFAOYSA-N 451.529 5.556 50 10 JKGE COc1cccc([C@@H](Br)CCc2ccc(Cl)c(I)c2)c1 2362371140 NPVOZTVEJMSHOY-AWEZNQCLSA-N 465.556 6.022 50 10 JKGE CN(CC[C@@H](Br)c1cccs1)Cc1ccc(Br)cc1Br 2365968791 GNIBFHAERSFFES-CYBMUJFWSA-N 482.079 6.231 50 10 JKGE CCOC(=O)c1c(NC(=O)/C(C#N)=C\c2ccc(OCC)cc2)sc(C)c1-c1ccc(Cl)cc1 1791214 VIGVMDQZZCFNCR-RGEXLXHISA-N 495.000 6.498 50 10 JKGE CC[C@H](Oc1ccccc1[C@H](C)CC)C(=O)NNC(=O)c1ccc(NC(=O)C2CCCCC2)cc1 10683551 SCWHBBPFUGALGV-DVECYGJZSA-N 479.621 5.338 50 10 JKGE COc1cc(C(=O)Oc2cccc(/C=C(/C#N)c3ccccc3)c2)c(Br)c(OC)c1OC 31902649 HHLDZXXJAZUSRJ-PDGQHHTCSA-N 494.341 5.758 50 10 JKGE COc1ccccc1/C(C#N)=C\c1cccc(OC(=O)COc2ccc(Cl)cc2Cl)c1 31902697 GSLRGEHKKGTYHY-BOPFTXTBSA-N 454.309 6.051 50 10 JKGE CCCOc1cccc(-c2nn(-c3ccccc3)cc2/C=C(\C#N)C(=O)Nc2ccc(C)cc2)c1 35446605 WMGPBMOQYCDXJV-HAVVHWLPSA-N 462.553 6.182 50 10 JKGE CCCOc1ccc(-c2nn(-c3ccccc3)cc2/C=C(/C#N)C(=O)NC2CCCCC2)cc1Cl 35447348 YMKVAJIWFVCKAJ-PGMHBOJBSA-N 489.019 6.337 50 10 JKGE CCCCOc1ccc(/C=C(\C#N)C(=O)Nc2ccc(Cl)c(C(F)(F)F)c2)cc1OC 35519655 MNPYPEVDPSCPRJ-XNTDXEJSSA-N 452.860 6.092 50 10 JKGE Cc1cccc(OCC(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@H]3c2ccc(C(C)C)cc2)c1 38649498 GJHHSFDIJFJVPU-MHZLTWQESA-N 454.526 5.321 50 10 JKGE Cc1cccc(OCC(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@H]3c2ccc(C(C)(C)C)cc2)c1 38649762 GOAXIKJBWDCEEE-MHZLTWQESA-N 468.553 5.495 50 10 JKGE CCCCOc1ccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4ccc(F)cc4)ccc32)cc1 38650765 MIYPWKRNVGHNQZ-RUZDIDTESA-N 458.489 5.442 50 10 JKGE CCOc1ccccc1C(=O)Oc1ccc2c(c1)OC(N)=C(C#N)[C@H]2c1ccc(SC)cc1 38682578 OUNVJQKUWWBORW-DEOSSOPVSA-N 458.539 5.245 50 10 JKGE CCCOc1cccc(C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@H]3c2cccc(OCCC)c2)c1 38684472 MIFBVJUAFNWYRU-MHZLTWQESA-N 484.552 5.702 50 10 JKGE C=CCOc1cccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)[C@@H](C)Oc4ccc(CC)cc4)ccc32)c1 38684600 QGODLCNSUCZKPK-WHLCRQNOSA-N 496.563 5.405 50 10 JKGE Cc1cc(C)cc(OC(=O)c2oc3c(c2C)/C(=N/NC(=O)c2ccc(Cl)cc2)CCC3)c1 40811615 YHQKVQOJQXNGOG-NHFJDJAPSA-N 450.922 5.548 50 10 JKGE CCCNC(=O)/C(C#N)=C/c1ccc(OC(=O)c2sc3ccccc3c2Cl)c(OC)c1 41007606 LEELXYKKPCHXND-RVDMUPIBSA-N 454.935 5.216 50 10 JKGE CC(C)Cc1ccc([C@@H](C)C(=O)N/N=C/c2ccc(Oc3ccc([N+](=O)[O-])cc3[N+](=O)[O-])cc2)cc1 59160189 MXOQYNZVTMGBKR-AXNZHVIBSA-N 490.516 5.748 50 10 JKGE CC1=C(C#N)C(=O)N(Cc2ccccc2)C(=O)/C1=C/c1ccc(-c2ccc(Cl)cc2Cl)o1 101335082 BFGMRSYFCONFEN-UDWIEESQSA-N 463.320 6.046 50 10 JKGE COc1cc(/C=C2/C(=O)N(CCc3ccccc3)C(=O)C(C#N)=C2C)ccc1OCc1ccccc1F 101338299 MHSLQFGTONLQSA-LFVJCYFKSA-N 496.538 5.248 50 10 JKGE CCOc1ccc([C@@H](Br)c2cc(Br)sc2Br)cc1 109869998 XSJNZAQHHYSPPG-GFCCVEGCSA-N 455.009 6.156 50 10 JKGE CC1=C(/C=C\C(C)=C\C[P+](c2ccccc2)(c2ccccc2)c2ccccc2)C(C)(C)CCC1 111483550 UJUZVVSRNMBGRO-JDQRQTFPSA-N 465.641 8.010 50 10 JKGE Brc1cc2c(cc1[C@@H](Br)c1sccc1Br)OCCO2 111536490 XSFNBXZYSZEJRL-GFCCVEGCSA-N 468.992 5.529 50 10 JKGE COc1ccc([C@H](Br)c2csc(I)c2)c2ccccc12 124405650 NCHVTWFKPRQDFN-MRXNPFEDSA-N 459.146 5.999 50 10 JKGE N#C/C(=C/N1CCN(C(c2ccccc2)c2ccccc2)CC1)C(=O)Nc1cccc(C(F)(F)F)c1 217143462 RRJKTKAUGBPYNL-ATJXCDBQSA-N 490.529 5.459 50 10 JKGE COc1ccc(Br)cc1[C@H](Cl)c1ccc(I)c(Cl)c1 232341119 BQLGEJPNRLRWGM-CQSZACIVSA-N 471.947 6.044 50 10 JKGE COCCOc1ccc([C@@H](Br)c2csc(Br)c2)cc1Br 234655893 ZOZWHKDGRUANDA-CQSZACIVSA-N 485.035 5.783 50 10 JKGE Fc1cc(Br)cc(Oc2ccc(CBr)c(Br)c2)c1F 236154349 VTPRYRAIMJLDTE-UHFFFAOYSA-N 456.906 6.177 50 10 JKGE CC(=NNC(=O)c1ccc(COc2ccccc2Cl)o1)c1ccc(NC(=O)C(F)(F)F)cc1 254387658 ZWQVVXUOFMKACK-UHFFFAOYSA-N 479.842 5.167 50 10 JKGE CCc1ccc(C=NNC(=O)CSc2nnc(SCc3cccc4ccccc34)s2)cc1 254390980 ADEKPXGKIYFLBX-UHFFFAOYSA-N 478.668 5.788 50 10 JKGE CC(=NNC(=O)c1cc(-c2cccc(OCc3ccccc3)c2)n[nH]1)c1ccc(-c2ccccc2)cc1 254489340 UBBKTKHSSDFRFU-UHFFFAOYSA-N 486.575 6.477 50 10 JKGE CCCOC(=O)c1ccc2ccccc2c1OC(=O)[C@@]12CC[C@@](C)([C@H]1Br)C2(C)C 256020040 TUKAUFMOSZXVFU-FGCOXFRFSA-N 459.380 5.902 50 10 JKGE C[C@@]1(CI)CC[C@H](c2ccc(Br)c(Br)c2)O1 309418208 KZYHZFKSUQKRHD-NEPJUHHUSA-N 459.947 5.257 50 10 JKGE C[C@@H]([C@@H]1CCN(Cc2ccccc2)C1)n1c(CCl)nc2cc(Br)c(F)cc21 312482888 IUUOLHVGYJHYKB-GOEBONIOSA-N 450.783 5.760 50 10 JKGE Cc1cc(F)c([C@@H](Br)c2cc(I)ccc2Br)cc1C 395842594 ITVYIZYBAYKVIX-HNNXBMFYSA-N 497.971 6.294 50 10 JKGE CC(C)(C)[Si](C)(C)OCCN1CCOCC[C@H]1c1ccc(CO[Si](C)(C)C(C)(C)C)cc1 616656827 OIKKPBLTLOCSGG-DEOSSOPVSA-N 479.854 6.994 50 10 JKGE COc1ccc(Br)cc1[C@H](Br)c1ccc(F)c(Br)c1F 691514127 PZTMNRHTHUUGCA-GFCCVEGCSA-N 470.933 5.983 50 10 JKGE COC1(CC(CBr)(CBr)c2ccccc2Br)CCCC1 692479467 PGGKZSCTDRBONH-UHFFFAOYSA-N 469.055 5.826 50 10 JKGE CC1(C)COc2c([C@@H](Br)c3ncsc3Br)cc(Br)cc21 698689274 KUWQVRFHQZVKQZ-SNVBAGLBSA-N 482.035 5.822 50 10 JKGE C[C@@H]1C[C@@H](n2c(CCl)nc3ccc(F)c(Br)c32)CCN1Cc1ccccc1 701654634 ZFKOHTNFACAPAA-ZBFHGGJFSA-N 450.783 5.902 50 10 JKGE CC(F)(F)CCCC(CBr)(CBr)c1ccc(Br)cc1 718678223 YRFGILZWAVWMJQ-UHFFFAOYSA-N 462.998 6.302 50 10 JKGE CCN(C[C@@](C)(CI)O[C@H](C)C1CCCCC1)C(=O)OC(C)(C)C 719739796 XYYVJHUSVYMLPZ-DNVCBOLYSA-N 453.405 5.423 50 10 JKGE CCO[C@@H]1CCC[C@H](O[C@H](CI)c2ccc(Br)cc2)C1 721638145 CKLAVCIKQWNKGZ-OWCLPIDISA-N 453.158 5.290 50 10 JKGE O=C(N[C@H](CCBr)C1CCCCC1)c1scc(Br)c1Br 725033548 VUQSHAOWSXWSRZ-LLVKDONJSA-N 488.083 5.737 50 10 JKGE O=C(N[C@@H](CCBr)C1CCCC1)c1ccc(I)c(Cl)c1 725036010 BUJSKRVVZBFOQH-AWEZNQCLSA-N 470.576 5.018 50 10 JKGE COc1cc(C=NNC(=O)c2cc3ccccc3o2)c(Br)cc1OCc1ccc(F)cc1 1083998461 JXALHDXNBRWIBQ-UHFFFAOYSA-N 497.320 5.686 50 10 JKGE CCOc1cc(/C=C(\C#N)C(=O)Nc2cccc(Cl)c2Cl)ccc1OCc1ccc(C)cc1 1084267627 DEYLBWIVWVBEDX-DEDYPNTBSA-N 481.379 6.825 50 10 JKGE COc1c(Br)cc(/C=C(/C#N)C(=O)Nc2ccc(C)c(C)c2)cc1Br 1084320389 XOFHHCVKZSCHMU-AUWJEWJLSA-N 464.157 5.383 50 10 JKGE Cc1cc(C=NNC(=O)c2cc3ccccc3cc2O)c(C)n1-c1cc(Cl)cc(Cl)c1 1084544678 XEVUITKLTIRUHI-UHFFFAOYSA-N 452.341 6.024 50 10 JKGE CN1/C(=C(\C#N)C(=O)CSc2nnc(Cc3cccs3)n2C2CCCCC2)Nc2ccccc21 1087641738 ALQAHGDSJIWHGJ-LYBHJNIJSA-N 490.658 5.394 50 10 JKGE CC(C)(C)c1ccc(OCC(=O)NN=Cc2cc(Br)ccc2OCc2ccccc2)cc1 1772754353 ZAJJFGMEDCUZQX-UHFFFAOYSA-N 495.417 5.855 50 10 JKGE CCCc1nn(Cc2ccc(Cl)c(Cl)c2)c2c1[C@@H](c1ccc(O)cc1)C(C#N)=C(N)O2 1865683282 CDORCGJZZVMZRP-FQEVSTJZSA-N 455.345 5.114 50 10 JKGE N#CC1=C(N)Oc2c(c(C(F)(F)F)nn2Cc2ccc(Cl)c(Cl)c2)[C@@H]1c1ccc(O)cc1 1865684699 WBJUROUWAAMQFV-MRXNPFEDSA-N 481.261 5.181 50 10 JKGE CCc1nn(Cc2ccc(Cl)c(Cl)c2)c2c1[C@H](c1cc(C)ccc1O)C(C#N)=C(N)O2 1865687069 IQIXVRYUGPFVOY-HXUWFJFHSA-N 455.345 5.033 50 10 JKGE CCCCOc1ccc([C@H]2C(C#N)=C(N)Oc3c2c(C)nn3Cc2ccc(C)cc2)cc1OCC 1865687331 OSYUAMDSSCXKBZ-SANMLTNESA-N 472.589 5.344 50 10 JKGE CCCCOc1ccc([C@H]2C(C#N)=C(N)Oc3c2c(-c2ccccc2)nn3Cc2ccc(F)cc2)cc1 1865690091 IOYCDDNMATZSQX-SANMLTNESA-N 494.570 6.135 50 10 JKGE CCCOc1ccc([C@@H]2C(C#N)=C(N)Oc3c2c(C(F)(F)F)nn3Cc2ccc(Cl)cc2)cc1 1865693239 IOTUBYHDKVACKC-LJQANCHMSA-N 488.897 5.611 50 10 JKGE CCCCCOc1ccc([C@@H]2C(C#N)=C(N)Oc3c2c(C)nn3-c2ccc(Cl)cc2)cc1OC 1865694953 GKUXQMKWRBOYKC-XMMPIXPASA-N 478.980 5.630 50 10 JKGE COc1ccc(-n2nc(C)c3c2OC(N)=C(C#N)[C@H]3c2ccccc2OCc2ccc(Cl)cc2)cc1 1865701182 OPJIZQPPEBYBJQ-AREMUKBSSA-N 498.970 5.640 50 10 JKGE Cc1nn(Cc2ccccc2Cl)c2c1[C@H](c1cc(Br)ccc1F)C(C#N)=C(N)O2 1865702669 YSIFBCGANNNHRR-LJQANCHMSA-N 473.733 5.013 50 10 JKGE CC(C)c1ccc([C@@H](CC(=O)N[C@@H](C(=O)Nc2ccc(SC#N)cc2)c2ccccc2)C(C)C)cc1 1866745255 IOVGWHOTRCMMMH-LMSSTIIKSA-N 499.680 7.009 50 10 JKGE CC(C)[C@@H](C(=O)N[C@@H](C)C(=O)Nc1ccc(SC#N)cc1)c1ccc(Cl)c(Cl)c1 1866984307 IJXZKHQQYLFBFR-ORAYPTAESA-N 450.391 5.450 50 10 JKGE Cc1cccc(N(Cc2cccnc2)c2cc(Nc3ccc(SC#N)cc3)nc(C(C)C)n2)c1 1868231930 WZHIHKFZNGHGSZ-UHFFFAOYSA-N 466.614 6.959 50 10 JKGE COc1cccc(/C=C(\C#N)c2nc3cc(C)ccc3n2C)c1OCc1c(Cl)cccc1Cl 1872727799 AKYMSXXUOYCMLR-QGOAFFKASA-N 478.379 6.840 50 10 JKGE CC(C)(C)c1ccc(/C=C/C(O)=C(\C#N)c2nc(-c3ccc(-c4ccccc4)cc3)cs2)cc1 1872743727 JLMGQIOPLGMZMI-SODUKCOSSA-N 462.618 8.281 50 10 JKGE C[C@@H](c1ccccc1)N1C[C@@H](/C(O)=C(\C#N)c2nc(-c3ccc(F)c(F)c3)cs2)CC1=O 1872751558 NDFQZIUEIQWBCE-HOUAUGALSA-N 451.498 5.491 50 10 JKGE CC[C@@H](C)N1C(=O)c2ccc(/C(O)=C(\C#N)c3nc(-c4ccc(C(C)C)cc4)cs3)cc2C1=O 1872752207 RKWDHJGFEFZIOW-RNKPHZFSSA-N 471.582 6.278 50 10 JKGE COc1ccc(-c2csc(/C(C#N)=C(O)/C=C/c3ccc(OCc4ccccc4)cc3)n2)c(C)c1C 1872754115 CSKQJPLZQGPYJY-ZLDLXXMFSA-N 494.616 7.521 50 10 JKGE COc1cc(-c2csc(/C(C#N)=C(\O)COc3cc(C)c(Cl)c(C)c3)n2)c(OC)cc1Cl 1872754643 CBVWRBBQKLUCKV-MNDPQUGUSA-N 491.396 6.623 50 10 JKGE COc1cc(OC)c(-c2csc(/C(C#N)=C(\O)c3cc4ccccc4oc3=O)n2)cc1Cl 1872756537 OQEFYUSJNKSWTM-QNGOZBTKSA-N 466.902 5.537 50 10 JKGE CCCCCOc1ccc(/C=C(\C#N)c2nc(-c3cccc([N+](=O)[O-])c3)cs2)cc1OCC 1872782319 DISZTFGZOMXVKM-DEDYPNTBSA-N 463.559 6.750 50 10 JKGE CC(C)C1(COc2c(Br)cc(Br)cc2CBr)COC1 1898915143 KWGGMWMBMRCFSZ-UHFFFAOYSA-N 457.000 5.158 50 10 JKGE ClC[C@@H](C1CC1)N(Cc1ccccc1)Cc1cc(I)ccc1Cl 1905041337 RZQUNXJBKPRUSO-IBGZPJMESA-N 460.186 5.964 50 10 JKGE C[C@H](CCl)N(Cc1ccccc1)S(=O)(=O)c1c(Cl)cc(Br)cc1Cl 1914348747 QUULFRIWQRMYQA-LLVKDONJSA-N 471.631 5.574 50 10 JKGE C[C@H](Br)CN(Cc1ccccc1)c1ncc(Br)cc1Br 1914634240 RUUWOLADZMQROD-NSHDSACASA-N 463.011 5.397 50 10 JKGE Cn1nc(CN(Cc2ccccc2)[C@@H](CBr)C2CC2)c(Br)c1Cl 1915189096 MEJPKLLEWRTWSA-HNNXBMFYSA-N 461.629 5.012 50 10 JKGE O=C(c1ccc(Cl)cc1Br)N(Cc1ccccc1)C1(CBr)CCC1 1915757053 SRIBIRZJSVDNOS-UHFFFAOYSA-N 471.620 6.063 50 10 JKGE CN(C[C@@H](Br)COCc1ccccc1)C(=O)c1c(Cl)cccc1C(F)(F)F 1916369757 NITRSBNKENQSED-CQSZACIVSA-N 464.709 5.411 50 10 JKGE Cl[C@@H](c1c(Br)sc(Br)c1Br)[C@H]1CCCCO1 1924579778 JXJWHTOSVVCLRQ-SVGQVSJJSA-N 453.421 5.885 50 10 JKGE CSc1ccccc1[C@H](Cl)c1c(Br)sc(Br)c1Br 1924591180 NYNQXSDFNMZJCG-JTQLQIEISA-N 491.495 7.086 50 10 JKGE Brc1cccc(Br)c1CC[C@H](Br)COCc1ccccc1 1934527817 MBBDQSNPOOHEAR-AWEZNQCLSA-N 477.034 6.125 50 10 JKGE Cl[C@@H](CC1CC1)c1c(Br)c(Br)cc(Br)c1Br 1995048162 OPXLQLOKBVHBMZ-QMMMGPOBSA-N 496.262 6.817 50 10 JKGE Cc1sc(Br)c([C@H](Br)c2cccc(OCc3ccccc3)c2)c1C 2024029370 VJSSZIKCWKEJPO-LJQANCHMSA-N 466.238 7.191 50 10 JKGE CCc1cc(Br)c([C@H](Br)Cc2ccc(Br)cc2)s1 2029232284 GUYVWYXUTYEWAR-GFCCVEGCSA-N 453.037 6.514 50 10 JKGE Cc1sc([C@@H](Cl)c2cccc(Br)c2Br)c(C)c1Br 2031481648 JNDIKDKLPKPNAU-LBPRGKRZSA-N 473.455 6.981 50 10 JKGE Brc1ccc([C@H](Br)c2ncn3ccsc23)c(Br)c1 2083982341 MDHKGPPFPGMPJV-JTQLQIEISA-N 450.981 5.405 50 10 JKGE O=C(c1scc(Br)c1Br)N1CC[C@@H]2C[C@@H](Br)CC[C@@H]21 2087668655 PRCBKNXDZBEIDA-WEDXCCLWSA-N 472.040 5.051 50 10 JKGE Clc1cccc([C@H](CBr)Cc2cccc(Br)c2Br)c1 2092336467 YEHQEOCJZDBPPM-LBPRGKRZSA-N 467.426 6.586 50 10 JKGE C[C@@H](Cl)c1nc2cc(Br)c(Cl)cc2n1C1CC(OCc2ccccc2)C1 2103808492 WQCQQPUEROJAEV-LRVUVFPRSA-N 454.195 6.672 50 10 JKGE C[C@H]1CN(Cc2ccc(Br)cc2Br)CC[C@H]1CCBr 2115845347 XJPXQXJVDJRVNP-NWDGAFQWSA-N 454.044 5.455 50 10 JKGE CN(C(=O)c1scc(Br)c1Br)[C@H]1CCCCC[C@@H]1Br 2115909282 AJFGKMAFEHGXTG-WPRPVWTQSA-N 474.056 5.441 50 10 JKGE C[C@@]1([C@H](Cl)c2c(Br)sc(Br)c2Cl)CCCC(F)(F)C1 2132123022 MEECZBHVTPTTMV-LDYMZIIASA-N 457.005 7.422 50 10 JKGE Cc1cc(Br)c(C)c([C@H](Br)C[C@@H]2OCC[C@H]2C)c1Br 2136370058 HFNGMVFNLBOHBM-WQHBLYJGSA-N 455.028 6.080 50 10 JKGE COCC1([C@@H](Br)c2c(C)c(Br)cc(C)c2Br)CCC1 2136373312 ZSEATIHHLFZNLE-AWEZNQCLSA-N 455.028 6.081 50 10 JKGE Cc1c(Br)ccc([C@@H](Br)[C@@H]2CCCCC2(C)C)c1Br 2138848306 AKQHZQYYEJYKKL-SWLSCSKDSA-N 453.056 7.172 50 10 JKGE CC[C@@H](C[C@H](Br)c1ccc(Br)c(C)c1Br)C(C)(C)C 2138869188 YNOFHBRIJKUITK-FZMZJTMJSA-N 455.072 7.418 50 10 JKGE Cc1ncsc1C(C#N)=C(Cl)c1ccc(Br)cc1I 2142291287 KEGBQNLEURGJGV-UHFFFAOYSA-N 465.541 5.449 50 10 JKGE ClCc1ccc(Br)c(Cl)c1N1CCO[C@H]2CCN(Cc3ccccc3)C[C@@H]21 2154376727 XZMAPBJZGANCDC-OALUTQOASA-N 470.238 5.321 50 10 JKGE COc1c(C)cc(Br)c(C)c1[C@H](Br)c1scc(C)c1Br 2157035886 PVDGIFFVINAYBV-ZDUSSCGKSA-N 483.063 6.691 50 10 JKGE CN(Cc1cc(Br)ccc1Br)C[C@@H](Br)C1CCCCC1 2175140293 SWWUFQMZDKFBQV-MRXNPFEDSA-N 468.071 5.987 50 10 JKGE CCn1cc(Br)c([C@H](Br)c2csc3c(Br)cccc23)n1 2181173319 HHNQWOKULVVLJB-GFCCVEGCSA-N 479.035 6.127 50 10 JKGE Cc1cc(Br)c(C)c([C@@H](Br)[C@@]23CC[C@@H](C2)[C@@H](C)O3)c1Br 2201072397 UOYOWCOSKJZOLM-OXUXUCFPSA-N 467.039 6.222 50 10 JKGE COc1cc(F)c([C@@H](Cl)c2ccc(Br)cc2I)c(F)c1 2207270567 BYIHMFITNNUIOC-AWEZNQCLSA-N 473.482 5.669 50 10 JKGE Cc1sc([C@@H](Br)c2c(C)sc(Br)c2C)cc1Br 2213748146 IBYGFOPKTWZFFG-LLVKDONJSA-N 459.066 6.744 50 10 JKGE COc1ccc(Br)c(CBr)c1OC[C@@H](C)COCc1ccccc1 2214870193 ZEJSLXZAUAHFGT-AWEZNQCLSA-N 458.190 5.584 50 10 JKGE CCN(C[C@](C)(CI)OCCCCCC1CC1)C(=O)OC(C)(C)C 2216704630 YSAIBYQDXQTPRX-IBGZPJMESA-N 453.405 5.424 50 10 JKGE Cn1ncc([C@H](Cl)c2cc(Br)c(Br)cc2F)c1Br 2218597941 PUDMKJBQSVZFBF-SNVBAGLBSA-N 461.354 5.175 50 10 JKGE Cc1sc([C@@H](Br)c2c(C)sc(Br)c2C)c(C)c1Br 2218963945 DDPMTZOABGIWSJ-NSHDSACASA-N 473.093 7.053 50 10 JKGE Cc1c(Br)csc1[C@H](Br)c1cc(Br)cc2c1OCC2 2226120120 DGKPGXOKBFOASO-GFCCVEGCSA-N 467.020 6.001 50 10 JKGE COc1c(C(C)C)cc(Br)cc1[C@@H](Br)c1occc1Br 2233161455 FBYUTIBUYZSETE-CYBMUJFWSA-N 466.995 6.421 50 10 JKGE FC(F)(F)Oc1ccc(Cl)cc1[C@@H](Cl)c1sccc1I 2239608604 ISILFPYLNNMIEQ-SNVBAGLBSA-N 453.050 6.233 50 10 JKGE Fc1cc(Cl)c(Br)cc1[C@H](Br)c1scc(Br)c1Cl 2253598368 JITUAVYWXMOKIW-VIFPVBQESA-N 497.836 7.203 50 10 JKGE Cl[C@@H](Cc1cc(Br)cc(Br)c1)c1ccc(Br)cc1 2263451587 YYYJMXVQBAEKAJ-AWEZNQCLSA-N 453.399 6.497 50 10 JKGE COc1cc(OC)c([C@H](Br)c2cscc2OCc2ccccc2)cc1Cl 2264475949 JZQSZPMVZJSEEV-FQEVSTJZSA-N 453.785 6.482 50 10 JKGE Cc1cc([C@H](Br)c2ccc(Cl)c(I)c2)c(C)cc1F 2268274093 NSDWRMUZIZOCRM-OAHLLOKOSA-N 453.520 6.185 50 10 JKGE COc1ccc(C[C@H](Br)c2ccc(Cl)c(I)c2)cc1 2268314793 GNJINYUSCQUDPH-ZDUSSCGKSA-N 451.529 5.632 50 10 JKGE C[C@H](Br)CN(Cc1cccc(Br)c1Br)CC(C)(C)C 2272537330 QOIHUSJQMCSWNZ-NSHDSACASA-N 456.060 5.843 50 10 JKGE C[C@]12CO[C@]([C@@H](Br)c3c(F)cc(Br)c(F)c3Br)(C1)C2 2272721306 GMVHYGSHAUPTOY-RWMBFGLXSA-N 460.938 5.495 50 10 JKGE Fc1cccc(Br)c1COc1c(Br)cccc1CBr 2273848004 CLJOAEFKMQHRFP-UHFFFAOYSA-N 452.943 5.825 50 10 JKGE COc1c(Br)cc(Cl)c(C)c1[C@@H](Br)c1ccc(Br)o1 2277900312 HVPAIGTXJPLAAY-LBPRGKRZSA-N 473.386 6.259 50 10 JKGE Fc1ccc(Br)cc1[C@H](Br)c1cc2sc(Br)cc2s1 2278101373 NWHILDUBJNGFCQ-ZDUSSCGKSA-N 485.035 7.111 50 10 JKGE Clc1cc2c(cc1[C@H](Br)c1scc(Br)c1Cl)OCCO2 2279283432 MSYHIOJCYZACKB-NSHDSACASA-N 458.986 6.073 50 10 JKGE Fc1cc(Br)cc(F)c1CO[C@@H]1CCCCCC[C@@H]1I 2287166679 ALIIZRRXUYKIPZ-LSDHHAIUSA-N 459.112 5.770 50 10 JKGE CCC12COC([C@@H](Br)c3c(F)cc(Br)c(F)c3Br)(C1)C2 2288348126 BTXRPGDKAZRISU-HSBZDZAISA-N 474.965 5.885 50 10 JKGE Cc1cccc(NC(=O)C(C#N)=Cc2cc(Cl)cc(Cl)c2OCCOc2cc(C)cc(C)c2)c1 2293430092 RIFHKOCBZODZPC-UHFFFAOYSA-N 495.406 6.922 50 10 JKGE N#CC(=Cc1ccc(OCc2ccc(C(=O)O)cc2)cc1)C(=O)Nc1cccc(C(F)(F)F)c1 2293656540 YIZBNGWZGPOKEX-UHFFFAOYSA-N 466.415 5.528 50 10 JKGE Cc1ccc(Cl)cc1NC(=O)C(C#N)=Cc1ccc(OCc2cccc(C(=O)O)c2)c(Cl)c1 2294172046 WZGVSJKSUNTSBL-UHFFFAOYSA-N 481.335 6.125 50 10 JKGE COc1c(Br)cc(Cl)cc1[C@H](Cl)c1nn(C)c(Cl)c1Br 2295270367 UKVFURKEKJSECM-VIFPVBQESA-N 463.384 5.589 50 10 JKGE COc1cc(Cl)ccc1[C@@H](Br)Cc1cc(Br)cc(Br)c1 2295345844 RJHBFMQCSHBBEE-AWEZNQCLSA-N 483.425 6.552 50 10 JKGE O=C(CCC(=O)Nc1ccccc1Br)NN=Cc1c2ccccc2cc2ccccc12 2296654319 XSYRTMJISFAMQY-UHFFFAOYSA-N 474.358 5.625 50 10 JKGE Cc1cc(NC(=O)C(C#N)=Cc2ccc(-c3cc(Cl)ccc3Cl)o2)n(-c2ccccc2)n1 2296832277 IWTWFNQGYLIAAK-UHFFFAOYSA-N 463.324 6.293 50 10 JKGE CCSC=C(NC(=O)c1ccc(C)cc1)[P+](c1ccccc1)(c1ccccc1)c1ccccc1 2297731237 OFNORTHMEYKHPO-UHFFFAOYSA-O 482.609 6.271 50 10 JKGE CC(C)(C)[C@@H]1C[C@H]1[C@H](Br)c1ccc(OCc2ccccc2)cc1Br 2299495241 PRAIDXNQPRMVKM-QWFCFKBJSA-N 452.230 7.146 50 10 JKGE Brc1ccc(OCc2ccccc2)c([C@@H](Br)C2(CC3CC3)CC2)c1 2299524034 ZSUAMOQDFITULX-HXUWFJFHSA-N 450.214 7.044 50 10 JKGE Fc1cccc([C@@H](Br)c2sc(Cl)cc2I)c1Cl 2300953633 MERBEYRYRONPAH-SECBINFHSA-N 465.940 6.283 50 10 JKGE Cc1ccc(Br)c([C@@H](Cl)c2sc(Cl)cc2I)c1 2301084182 QBHRIDFGXMBGDH-LLVKDONJSA-N 461.977 6.405 50 10 JKGE N#CC(=Cc1cc(Br)ccc1OCc1ccc(F)cc1)C(=O)Nc1ccc(F)cc1 2313630244 BBUQQVQJXPUPKO-UHFFFAOYSA-N 469.285 5.852 50 10 JKGE COc1cc(C=C(C#N)C(=O)Nc2ccc(Cl)c(Cl)c2)ccc1OC(=O)c1ccc(C)cc1 2313631364 OWVPMQZVUJULQL-UHFFFAOYSA-N 481.335 6.075 50 10 JKGE N#CC(=Cc1ccccc1OCc1ccc(Br)cc1)C(=O)Nc1cccc([N+](=O)[O-])c1 2313670490 ARRPQKZMHQLRSN-UHFFFAOYSA-N 478.302 5.482 50 10 JKGE FC1(F)CC[C@@H]2[C@H]([C@H](Br)c3cc(Br)ccc3OCc3ccccc3)[C@@H]21 2314438741 AYCCHIMEGKGSSA-ZWQIFLOQSA-N 472.167 6.755 50 10 JKGE Cc1ccc(NC(=O)C(C#N)=Cc2c(Oc3ccc(Cl)cc3)nc3c(C)cccn3c2=O)cc1C 2314534069 XLTRKKBSYAYUHH-UHFFFAOYSA-N 484.943 5.611 50 10 JKGE CCc1ccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)C=Cc4ccc(C(C)(C)C)cc4)ccc32)cc1 2314634486 ZAXBEQRQYMBBKM-LJAQVGFWSA-N 478.592 6.383 50 10 JKGE CCCCOc1ccc(-c2csc(NC(=O)C(C#N)=Cc3ccc(OCC)c(OC)c3)n2)cc1 2314754266 OGBXGPRXWUQFAA-UHFFFAOYSA-N 477.586 5.942 50 10 JKGE Fc1c(Br)cc(Cl)c([C@@H](Cl)c2ncsc2Br)c1Br 2315441833 MCMSINMKAVGZIY-SSDOTTSWSA-N 498.824 6.551 50 10 JKGE N#CC(=Cc1ccc(OC(=O)c2ccc(S(=O)(=O)N3CCCC3)cc2)cc1)c1ccc(Cl)cc1 2320506468 KIASFJVFPPOGDR-UHFFFAOYSA-N 492.984 5.408 50 10 JKGE BrCCCN(Cc1ccc(I)c(Br)c1)C1CCC1 2325212379 OHPFTSPRVUVDMG-UHFFFAOYSA-N 487.017 5.193 50 10 JKGE ClCc1ccc(SCc2ccc(I)c(Br)c2)cc1 2325223583 PYRGWFHJFPOXHA-UHFFFAOYSA-N 453.570 6.085 50 10 JKGE BrC[C@@H](COCc1ccc(I)c(Br)c1)CC1CC1 2325382095 RLNSZMNHVRNJCZ-LBPRGKRZSA-N 488.001 5.382 50 10 JKGE COc1ccc(CC(O)=C(C#N)c2nc(-c3ccc(-c4ccccc4)cc3)cs2)cc1OC 2331231506 RRGPTIRHJLIHPK-UHFFFAOYSA-N 454.551 6.530 50 10 JKGE N#CC(=C(O)CCN1C(=O)c2ccccc2C1=O)c1nc(-c2ccc3ccccc3c2)cs1 2331237835 KGWJGBWUZDIAND-UHFFFAOYSA-N 451.507 5.442 50 10 JKGE N#CC(=C(O)C=Cc1ccc(Cl)c(Cl)c1)c1nc(-c2ccc3c(c2)CCCC3)cs1 2331240150 XHEVQYDWPNAHLL-UHFFFAOYSA-N 453.394 7.502 50 10 JKGE COc1cc(C=CC(O)=C(C#N)c2nc(-c3ccc(C(C)(C)C)cc3)cs2)ccc1OC(C)=O 2331331862 BJFKGKVZTKRACD-UHFFFAOYSA-N 474.582 6.548 50 10 JKGE N#CC(=C(O)c1ccc(N2CCOCC2)c([N+](=O)[O-])c1)c1nc(-c2cccc3ccccc23)cs1 2331340044 PFCAWLLGXHXYMQ-UHFFFAOYSA-N 484.537 5.658 50 10 JKGE CCOc1ccccc1[C@@H](Br)c1cc(Br)ccc1OCc1ccccc1 2336048331 SWVSPATVRWRIGP-JOCHJYFZSA-N 476.208 6.911 50 10 JKGE FC(F)Oc1cccc([C@@H](Br)c2sc(Cl)cc2I)c1 2338558966 QZTWVIFZAJLDPI-SNVBAGLBSA-N 479.511 6.092 50 10 JKGE Clc1cc(I)c([C@H](Br)[C@@H]2C[C@H]3CCCCCC[C@@H]32)s1 2338560443 LIUUQCFMSPBVGX-FBKDDSFISA-N 473.645 7.049 50 10 JKGE CCC1(CC)[C@@H](OCc2c(Br)cccc2Br)C[C@H]1Br 2340567026 AAUWSZCIUURBER-KGLIPLIRSA-N 455.028 6.070 50 10 JKGE CC1(C)C[C@@](C)(CBr)CN1Cc1ccc(Cl)cc1I 2341011469 MEVPFUSBGRJROP-HNNXBMFYSA-N 456.593 5.330 50 10 JKGE COCCOc1ccc([C@H](Br)c2cnsc2Br)cc1Br 2362467540 SOXYCHWXRUVCIF-LBPRGKRZSA-N 486.023 5.178 50 10 JKGE COc1c(Br)cc(C)cc1C[C@@H](Br)c1cccc(Br)c1 2365238173 NKFCCZPVDKCADK-CQSZACIVSA-N 463.007 6.207 50 10 JKGE CCc1cc([C@@H](Br)c2ccc(Cl)cc2I)c(F)cc1F 2365597241 DUNFFXQJSPBPGU-HNNXBMFYSA-N 471.510 6.270 50 10 JKGE Clc1ccc(CN2C[C@@H]3C[C@H](CBr)C[C@@H](C3)C2)cc1I 2369265769 TYTNMJHYZVBVCG-BTTYYORXSA-N 468.604 5.188 50 10 JKGE Cc1ccccc1CS/C(Nc1ccccc1Cl)=C(/C#N)S(=O)(=O)c1ccccc1 12437576 WQTPKWVYUUDWRL-FCQUAONHSA-N 455.004 6.160 50 10 JKGE N#C/C(=C\c1ccc(OCc2ccccc2)c(OCc2ccccc2)c1)c1nc2ccccc2[nH]1 12574014 XDEYDWGTYIJNJT-KOEQRZSOSA-N 457.533 6.785 50 10 JKGE Cc1ccc(NC(=O)/C(C#N)=C2/S[C@H](Cc3cccc(C)c3)C(=O)N2c2ccc(C)cc2)cc1 33498877 NQBPTIVULNHHNO-NJEMLTPYSA-N 467.594 5.677 50 10 JKGE COc1ccc(-c2nn(-c3ccccc3)cc2/C=C(\C#N)C(=O)Nc2ccc([N+](=O)[O-])cc2Cl)cc1 35518864 WLMLUHBKGXWIBO-QGOAFFKASA-N 499.914 5.655 50 10 JKGE N#CC1=C(N)Oc2cc(OC(=O)c3ccccc3Cl)ccc2[C@H]1c1cccc2ccccc12 38657651 MMNWIYHJEKIZPB-RUZDIDTESA-N 452.897 5.931 50 10 JKGE N#CC1=C(N)Oc2cc(OC(=O)c3sc4ccccc4c3Cl)ccc2[C@H]1c1ccc(F)cc1 38688015 SJAOJXDWZCPQEU-OAQYLSRUSA-N 476.916 6.131 50 10 JKGE Cc1c(C(=O)Oc2ccc3ccccc3c2)oc2c1/C(=N/NC(=O)c1ccc(O)cc1)CCC2 40812031 OUDPHYVDGYVBML-XAYXJRQQSA-N 454.482 5.136 50 10 JKGE Cc1c(C(=O)Nc2cccc3ccccc23)oc2c1/C(=N/NC(=O)c1ccccc1O)CCC2 40826434 AAATVUOTKJQHAI-XHLNEMQHSA-N 453.498 5.170 50 10 JKGE Cn1c(SCC(=O)N/N=C\c2cc(C(C)(C)C)c(O)c(C(C)(C)C)c2)nc2ccccc21 51075488 TVSAZAJLXAGMGB-WGARJPEWSA-N 452.624 5.116 50 10 JKGE Cc1c(/C=N\NC(=O)CC[C@H](O)c2ccccc2)c2ccccc2n1Cc1ccc(Cl)cc1Cl 58891131 PPSQJGWIMXBERP-ZWFMTSFCSA-N 494.422 6.269 50 10 JKGE CC(C)CN1CCCc2cc(/C=C(/C#N)c3nc(CCN4C(=O)c5ccccc5C4=O)cs3)ccc21 83260826 MWDMHTFDCHQUCO-JCMHNJIXSA-N 496.636 5.455 50 10 JKGE COc1cc(/C=C(/C#N)C(=O)c2ccc(C)cc2)ccc1OC(=O)c1ccc(C(C)(C)C)cc1 98031174 NSFQRNVVHJOFBB-KQWNVCNZSA-N 453.538 6.310 50 10 JKGE CC(C)c1ccc(N2C(=O)[C@@H](Cc3ccccc3)S/C2=C(/C#N)C(=O)NCc2ccccc2)cc1 101240919 JWFNRJJOJZFJOJ-SJCFVWOQSA-N 481.621 5.553 50 10 JKGE CCc1ccc(N2C(=O)[C@H](Cc3ccc(C(C)C)cc3)S/C2=C(/C#N)C(=O)NCc2ccco2)cc1 101242022 MAQXPMXZZCDKHE-HFVAWESISA-N 499.636 5.708 50 10 JKGE C=CCNC(=O)/C(C#N)=C/c1ccc(OC(=O)/C=C\c2ccc(OCc3ccccc3)cc2)c(OC)c1 103746669 HAPYUPCCYWBXOG-YOTWYYFJSA-N 494.547 5.102 50 10 JKGE Br[C@H](c1ccc(C2CCCCC2)cc1)c1ccccc1I 109859827 MXCIXEKLKQPRGX-LJQANCHMSA-N 455.177 6.823 50 10 JKGE Brc1cc([C@@H](Br)C2(c3ccccc3)CC2)c(Br)s1 109870176 SLMBDSHIAZFYIE-GFCCVEGCSA-N 451.021 6.441 50 10 JKGE Cc1ccc(Br)cc1[C@@H](Br)c1cc2[nH]c(=O)[nH]c2cc1Br 115747036 HFNYPXOJJHEUCS-CQSZACIVSA-N 474.978 5.174 50 10 JKGE COc1cc(Cl)c([C@@H](Br)c2ccc(Br)c(Cl)c2)cc1OC 129172572 XBEQDZCNTWXLGD-HNNXBMFYSA-N 454.973 6.257 50 10 JKGE COc1c(C)cc(Br)c(C)c1[C@@H](Br)c1cc(C)cc(Br)c1 132031804 WXBHSEYEAXSLHG-INIZCTEOSA-N 477.034 6.630 50 10 JKGE CC(C)(C)OC(=O)Nc1cc([C@H](Br)C(=O)c2cccc(Br)c2)ccn1 148222055 YNODHWCKUKIPBE-HNNXBMFYSA-N 470.161 5.510 50 10 JKGE CCCC[C@H](CC)CO[C@](C)(CI)c1ccccc1Br 162154985 OLDVEWAHNGUPDD-WMLDXEAASA-N 453.202 6.332 50 10 JKGE Clc1ccccc1C(CBr)(CBr)Cc1cncc(Br)c1 169004386 GWBJLQQCGWIHHQ-UHFFFAOYSA-N 482.441 5.768 50 10 JKGE CC(C)(C)c1ccc(/C=C\C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@H]3c2ccc(F)cc2)cc1 205645315 IOTMIVDFDCHKIA-FQIPAWCJSA-N 468.528 5.960 50 10 JKGE C[C@H]1CCC[C@](CBr)(NC(=O)c2ccc(I)c(Cl)c2)C1 232349295 HRNRAIHYELRPFS-BONVTDFDSA-N 470.576 5.018 50 10 JKGE COc1ccc([C@@H](Cl)c2cc(Br)ccc2I)cc1F 234975672 PKFXLHKNYLSVBL-CQSZACIVSA-N 455.492 5.530 50 10 JKGE COc1cc(C=NNC(=O)C(C)(C)Oc2ccc(Cl)c(C)c2)cc(Br)c1OC(C)C 254349929 MRMJGEMNTPXEIZ-UHFFFAOYSA-N 497.817 5.514 50 10 JKGE COC(=O)c1cccc(Cn2cc(C=NNC(=O)c3ccc4ccccc4c3O)c3ccccc32)c1 254515667 JRYHPCMGDBQWHE-UHFFFAOYSA-N 477.520 5.099 50 10 JKGE Cc1ccc(Br)cc1[C@@H](Br)c1cc2c(cc1Br)OCC2 308411657 GCSUUOXXMVPCPF-MRXNPFEDSA-N 460.991 5.939 50 10 JKGE FC(F)(F)Oc1cccc([C@H](Br)c2cc(Br)c(Br)s2)c1 312943526 INGISBKEOAXOOH-JTQLQIEISA-N 494.952 6.656 50 10 JKGE C[C@@H](Cl)c1nc2c(Br)cccc2n1-c1ccccc1I 380554579 PXMBJMBUXAXRQY-SECBINFHSA-N 461.528 5.692 50 10 JKGE Fc1cc([C@@H](Br)c2cc(I)cc3c2OCC3)ccc1Cl 383335081 OXNLLPUEMBEARV-CQSZACIVSA-N 467.503 5.503 50 10 JKGE Fc1cc2c(cc1I)nc(CCCl)n2C[C@@H]1CCN(Cc2ccccc2)C1 383860729 XXSFWHSNVVNOGQ-MRXNPFEDSA-N 497.783 5.083 50 10 JKGE Clc1cc2c(cc1[C@@H](Br)c1sccc1I)OCCO2 388631640 VSRUWMLIDBDKRM-GFCCVEGCSA-N 471.541 5.262 50 10 JKGE C[C@H](COCc1ccccc1)Cn1c([C@@H](C)Cl)nc2cc(I)c(F)cc21 390392627 LGIKBTVHHHEBMO-UONOGXRCSA-N 486.756 5.933 50 10 JKGE ClCCc1nc2cncc(Cl)c2n1CCCN(Cc1ccccc1)Cc1ccccc1 390680002 XAQFSAGYDNGICH-UHFFFAOYSA-N 453.417 5.959 50 10 JKGE C[C@@H](CBr)[C@@H]1CCCCN1C(=O)c1scc(Br)c1Br 705441770 KUNJNLVUEUMFAA-WPRPVWTQSA-N 474.056 5.299 50 10 JKGE C[C@H]1CN(Cc2ccccc2)C[C@@H]1Cn1c(CCl)nc2cc(Br)c(F)cc21 708573330 IMYVYOKNFRMSNV-GOEBONIOSA-N 450.783 5.445 50 10 JKGE BrCC(CBr)(C[C@@H]1CCCS1)c1ccc(Br)cc1 715885613 YZGMKQQGPKJCKX-ZDUSSCGKSA-N 457.069 5.762 50 10 JKGE Cc1cc(F)c([C@H](Cl)c2ccc(I)c(Br)c2)cc1Cl 721603513 MKJYKPLCRRTYRS-CQSZACIVSA-N 473.938 6.483 50 10 JKGE Cc1ccc([C@H](Br)c2cccc(F)c2I)c(C)c1Br 721717918 FELGKNALJRCZAZ-AWEZNQCLSA-N 497.971 6.294 50 10 JKGE CCOc1ccc([C@H](O)CCC(=O)NN=Cc2cc(C)n(-c3cccc(Cl)c3Cl)c2C)cc1 1084057772 PNDTYTNYJYTWHL-HSZRJFAPSA-N 488.415 5.764 50 10 JKGE CCc1ccccc1NC(=O)/C(C#N)=C\c1cc(Br)ccc1OCc1ccc(F)cc1 1084164272 KADSMEKKBIBVEQ-MOSHPQCFSA-N 479.349 6.275 50 10 JKGE CC(C)Cc1ccc([C@@H](C)C(=O)NN=C2C(=O)N(C/C=C/c3ccccc3)c3ccccc32)cc1 1084443097 ASDQUMBCERNYBZ-CUSZKVCCSA-N 465.597 5.569 50 10 JKGE Cc1ccc(-c2ccccc2)n1-c1ccc(C(=O)NN=Cc2cc(C)n(-c3ccccc3)c2C)cc1 1084656570 CQZLHRSAJZXFFH-UHFFFAOYSA-N 472.592 6.624 50 10 JKGE Cc1ccc(C(=O)NN=C2CCCc3oc(C(=O)Nc4ccc(Cl)c(Cl)c4)c(C)c32)cc1 1772745319 XZQGNEVMCKHMHW-UHFFFAOYSA-N 470.356 5.926 50 10 JKGE 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)C3=C[C@H](Cl)[C@@]2(O)C1 1848357719 JIXRSUPPSOBQSS-QYMZXMKMSA-N 491.156 7.314 50 10 JKGE CCOc1cc([C@@H]2C(C#N)=C(N)Oc3c2c(-c2ccc(OC)cc2)nn3-c2ccc(C)cc2)ccc1O 1865681868 YUHIYOZQLPXTQX-RUZDIDTESA-N 494.551 5.179 50 10 JKGE Cc1ccc(C)c(Cn2nc(-c3ccccc3)c3c2OC(N)=C(C#N)[C@@H]3c2cc(Cl)ccc2O)c1 1865690004 YWHNUYQKCYHQQG-DEOSSOPVSA-N 482.971 5.792 50 10 JKGE COc1ccc(-c2nn(Cc3ccccc3)c3c2[C@@H](c2cn(C)c4ccccc24)C(C#N)=C(N)O3)cc1 1865698752 BXVSDGLQEMXGLI-AREMUKBSSA-N 487.563 5.317 50 10 JKGE COc1ccc(-n2nc(C)c3c2OC(N)=C(C#N)[C@@H]3c2ccccc2OCc2ccc(Cl)cc2)cc1 1865701183 OPJIZQPPEBYBJQ-SANMLTNESA-N 498.970 5.640 50 10 JKGE Cc1ccccc1[C@H]1C(C#N)=C(N)Oc2c1c(C(F)(F)F)nn2-c1ccc(Br)cc1 1865712594 CKANDWJCPIKPMJ-INIZCTEOSA-N 475.268 5.180 50 10 JKGE Cc1nc(-c2ccc(F)cc2F)ccc1C(=O)NNC(=O)CCCOc1ccc(Cl)cc1Cl 1865759945 ZRKDHBQBFUIPDJ-UHFFFAOYSA-N 494.325 5.262 50 10 JKGE CCOc1cc(/C=C(\C#N)c2nc(O)c3ccc(C(=O)OC)cc3n2)ccc1OCc1ccccc1 1872727460 CJFOQJSBIUCGSU-FYJGNVAPSA-N 481.508 5.164 50 10 JKGE CCCOc1ccc(-c2csc(/C(C#N)=C(\O)c3ccccc3I)n2)cc1 1872749973 QJWVSYUZFJFIJE-JZJYNLBNSA-N 488.350 6.153 50 10 JKGE CCOC(=O)Oc1ccc(/C(O)=C(\C#N)c2nc(-c3cc(Cl)ccc3Cl)cs2)cc1 1872758331 VQQZPRFRWYCARD-MNDPQUGUSA-N 461.326 6.602 50 10 JKGE COc1ccc(-c2csc(/C(C#N)=C(\O)COc3ccc(Cl)cc3Cl)n2)c2ccccc12 1872758817 RLLOREGCGRZMPW-UZYVYHOESA-N 483.376 7.150 50 10 JKGE COc1ccc(-c2csc(/C(C#N)=C(\O)CCCOc3ccc(C(C)(C)C)cc3)n2)c2ccccc12 1872758888 VNSYJZHZXXXRJN-RFBIWTDZSA-N 498.648 7.921 50 10 JKGE COc1cc(/C=C(\C#N)c2nc(-c3ccc(Cl)cc3)cs2)ccc1OCc1ccc(C)cc1 1872790070 IXFSLFWSHMYDPW-LPYMAVHISA-N 472.997 7.424 50 10 JKGE FC(F)[C@@H]1C[C@H]1[C@@H](Cl)c1c(Br)sc(Br)c1Br 1894336972 KSFSMHGTNLJPII-ULKCASBJSA-N 459.375 6.217 50 10 JKGE C[C@@H]1CC[C@H]([C@@H](Br)c2c(Br)sc(Br)c2Cl)O1 1897065050 LHJXQRQHJXWVKQ-WYDQCIBASA-N 453.421 5.930 50 10 JKGE O=C(N[C@@H](CCBr)COCc1ccccc1)c1ccccc1OCc1ccccc1 1902791685 AXEBWNGUXMSZMJ-QFIPXVFZSA-N 468.391 5.366 50 10 JKGE C[C@H]([C@H]1CCN(Cc2ccccc2)C1)n1c(CCl)nc2c(Br)cc(F)cc21 1912668796 IGROMTDNFQKVEC-ZBFHGGJFSA-N 450.783 5.760 50 10 JKGE ClC[C@H](C1CC1)N(Cc1ccccc1)Cc1cccc(Br)c1Br 1915167451 VZEWDTZDEAFIDB-GOSISDBHSA-N 457.637 6.231 50 10 JKGE Clc1cccc(CN(Cc2ccccc2)C2(CBr)CCC2)c1Br 1915755096 IOUWDSHCZHUBIS-UHFFFAOYSA-N 457.637 6.422 50 10 JKGE Fc1ccsc1[C@@H](Br)c1c(Br)sc(Br)c1Cl 1923070799 FEDJOWJCDLQWOK-YFKPBYRVSA-N 469.420 6.611 50 10 JKGE CC1(C)CCCO[C@@H]1COc1c(Br)cc(CBr)cc1Br 1923820819 IFEMWDZRCKCSMX-CYBMUJFWSA-N 471.027 5.691 50 10 JKGE CC1(NC(=O)c2c(Br)cccc2Br)CCC(Br)CC1 1924723681 WRYBRDHGJSYWDB-UHFFFAOYSA-N 454.000 5.038 50 10 JKGE Cc1sc(Br)c([C@@H](Br)c2cc(Cl)c(Br)s2)c1C 1951015112 UWUXTDZHNJWCPC-VIFPVBQESA-N 479.484 7.089 50 10 JKGE CC(C)(C)OC(=O)Nc1c(Br)cc(Br)cc1[C@@H](F)CBr 1951576925 OPQRFQKDVXLDDL-JTQLQIEISA-N 475.978 5.964 50 10 JKGE CCN(c1ccc(Br)cc1CBr)C1CCN(Cc2ccccc2)CC1 2027092499 TZIGECYPGCPFDH-UHFFFAOYSA-N 466.261 5.835 50 10 JKGE Brc1cccc(C[C@H](Br)c2cccc(Br)c2Br)c1 2031486596 YGCYRQIJJVYEDC-ZDUSSCGKSA-N 497.850 6.653 50 10 JKGE Cc1csnc1COc1c(Br)cc(Br)cc1CBr 2035772989 IASNBSZGUZEOER-UHFFFAOYSA-N 455.997 5.450 50 10 JKGE FC1(F)C[C@]12CC[C@@H]([C@H](Br)c1cc(Br)c(Br)s1)C2 2038548697 JCTNWIULNDUQRV-OUAIYISWSA-N 464.995 6.535 50 10 JKGE C[C@@]1([C@H](Br)c2cc(Br)sc2Br)CCCCC1(F)F 2048988389 SOOXNRMFUBRHSL-KOLCDFICSA-N 467.011 6.925 50 10 JKGE COc1c(Br)cc(C)cc1[C@@H](Br)c1cc(Br)sn1 2083445771 MCCNNPMCOQNQGI-LLVKDONJSA-N 455.997 5.469 50 10 JKGE COc1ccc(OC)c(-c2csc(/C(C#N)=C(\O)c3ccccc3I)n2)c1 2084289619 IVJNONQQECEVHH-CYVLTUHYSA-N 490.322 5.382 50 10 JKGE Cc1nc(C[C@H](Br)c2c(Br)cccc2Br)sc1C 2085802305 JCLNGMWUQWJUEF-NSHDSACASA-N 454.025 5.964 50 10 JKGE CCCC[C@@H](C)CC[C@@H](Cl)c1c(Br)sc(Br)c1Br 2086056288 HISGKTUUAFVADT-RKDXNWHRSA-N 481.519 7.922 50 10 JKGE C[C@@H](Cl)c1nc2cc(I)ccc2n1Cc1nccn1Cc1ccccc1 2090020632 FFTFPIHLAYYJHZ-CQSZACIVSA-N 476.749 5.234 50 10 JKGE C[C@H](Cl)c1nc2cc(Br)c(Cl)cc2n1[C@H]1CCN(Cc2ccccc2)C1 2103809401 GJLDVZZCJGSVCD-ZFWWWQNUSA-N 453.211 6.199 50 10 JKGE BrCc1cc(Br)c(OC[C@@H]2CC3(CC3)CO2)c(Br)c1 2110102535 DUFSSXFFXBVMFV-JTQLQIEISA-N 454.984 5.054 50 10 JKGE Cc1cc(S(=O)(=O)N(CCC(F)(F)F)Cc2ccccc2)ccc1CBr 2123199314 QSSRPYCESOCRFU-UHFFFAOYSA-N 450.320 5.033 50 10 JKGE C[C@@H]1CCC[C@](CI)(OCc2cc(Cl)ccc2Br)C1 2135982670 HNFAYLWPBLJARX-ABAIWWIYSA-N 457.577 6.003 50 10 JKGE Cc1cc([C@H](Cl)c2cc(Br)c(Cl)cc2C)ccc1I 2142104590 YWOVGYFOYHGPRX-HNNXBMFYSA-N 469.975 6.652 50 10 JKGE Clc1cc(CN2[C@H](CBr)C[C@@H]3CCC[C@H]32)ccc1I 2142950183 PJHMCOJSWSMJBO-SLEUVZQESA-N 454.577 5.083 50 10 JKGE Cc1cc(COc2c(Br)cc(CBr)cc2Br)nc(C)n1 2145678890 MPUSLFFCBCEDFE-UHFFFAOYSA-N 464.983 5.092 50 10 JKGE CCCn1nccc1COc1c(Br)cc(Br)cc1CBr 2150674362 XKXRGZGNXSSCHJ-UHFFFAOYSA-N 466.999 5.292 50 10 JKGE Cc1cc(Br)c([C@H](Br)[C@@]2(C)CCCCC2(F)F)cc1Br 2167934372 BAZGRRSXLKLQOS-UONOGXRCSA-N 475.009 7.172 50 10 JKGE C[C@H]1CN(Cc2ccccc2)C[C@H]1n1c(CCCl)nc2cc(Cl)c(Br)cc21 2169015305 KJXWXLXHVAQKLS-VBKZILBWSA-N 467.238 5.927 50 10 JKGE Cc1ccc(Br)c(C[C@H](CBr)Cc2ccc(Br)cc2)n1 2169024206 DHDZKMYXWOEUHY-CYBMUJFWSA-N 462.023 5.711 50 10 JKGE CCOc1ccc(Br)cc1[C@H](Br)c1c(C)nn(C)c1Br 2185750071 MBRNYDSNUSJYSX-ZDUSSCGKSA-N 466.999 5.137 50 10 JKGE ClCc1nc2cncc(Br)c2n1-c1ccc(Br)c(Br)c1 2185913055 VCNUQYGGLWZTME-UHFFFAOYSA-N 480.385 5.447 50 10 JKGE O=C(c1cc(Cl)cc(C(F)(F)F)c1)N(Cc1ccccc1)C1(CBr)CCC1 2200837215 GNUMPJSCKGYXTC-UHFFFAOYSA-N 460.721 6.319 50 10 JKGE Fc1ccc2cc([C@@H](Br)c3ccc(Br)cc3Br)sc2c1 2203688918 WLTMZWGMSWWLAK-HNNXBMFYSA-N 479.006 7.050 50 10 JKGE Cc1c(Br)ccc([C@H](Br)[C@H]2[C@H]3CC[C@@H](C3)C2(C)C)c1Br 2203692306 MSNLKNXMUFNNPK-WYURAEBNSA-N 465.067 7.028 50 10 JKGE COc1c(C)cc(Br)cc1[C@H](Br)Cc1ccccc1Br 2206571545 UYGLIAYJHKEFSV-OAHLLOKOSA-N 463.007 6.207 50 10 JKGE Cc1sc(C(=O)N(Cc2ccccc2)[C@H](C)CCBr)c(C)c1Br 2210614159 MLUGLBATMCRFIH-GFCCVEGCSA-N 459.247 5.943 50 10 JKGE CCCCOCC[C@@H](Cl)c1sc(Br)c(Br)c1Br 2216409002 VGNMROAZSCBTAP-SSDOTTSWSA-N 469.464 6.522 50 10 JKGE FC(F)(F)[C@@H]1CC[C@H]1[C@@H](Br)c1c(Br)sc(Br)c1Cl 2217676638 SBBDLAAFSGSVON-ZMIZWQJLSA-N 491.392 6.951 50 10 JKGE Cn1ncc(Cl)c1[C@H](Br)c1c(Br)cc(Cl)c(Cl)c1Cl 2224312654 QTGFRDVNFLZJOX-MRVPVSSYSA-N 467.803 6.281 50 10 JKGE COc1c(C(C)C)cc(Br)cc1[C@@H](Br)C1CC(Br)C1 2224919032 WKGWUAMFVDIFAQ-FDZGAKKTSA-N 455.028 6.191 50 10 JKGE Cc1ccc(I)c([C@H](Cl)c2cc(Br)c(Cl)cc2F)c1 2232222551 LXEDXDVXVDHOIC-CQSZACIVSA-N 473.938 6.483 50 10 JKGE FC1(F)[C@@H]2COC[C@@]21[C@@H](Br)c1c(Br)cc(Cl)c(Cl)c1Cl 2232514011 SRKHRZXAUGCTFY-DADVEIPYSA-N 471.350 6.127 50 10 JKGE Cc1nn(C)c(Br)c1[C@@H](Cl)c1c(Br)cc(Cl)c(Cl)c1Cl 2232517828 WPJSNWMBBGRDMW-SNVBAGLBSA-N 481.830 6.542 50 10 JKGE Cc1nn(C)c([C@@H](Br)c2c(Br)cc(Cl)c(Cl)c2Cl)c1Cl 2240928855 SAPAFCNCHXGSNP-QMMMGPOBSA-N 481.830 6.589 50 10 JKGE CN(Cc1cccc(I)c1)c1ccc(CCl)c(Br)c1 2265549184 XPJYHRSLGGREAF-UHFFFAOYSA-N 450.545 5.429 50 10 JKGE COc1c([C@@H](Br)c2cc(Br)cs2)cc(Br)c(C)c1C 2269163843 HILPCCXNLGMLJD-CYBMUJFWSA-N 469.036 6.383 50 10 JKGE Cc1sc([C@H](Br)c2cc(Br)c(F)cc2Cl)c(C)c1Br 2270461829 VJUFDJWFDMTNBF-GFCCVEGCSA-N 491.445 7.167 50 10 JKGE C[C@@H]1C[C@@H]([C@H](Br)c2c(F)cc(Br)c(F)c2Br)CCO1 2272839160 DRJVUGDWXNRXPS-BUYFANAVSA-N 462.954 5.741 50 10 JKGE Fc1cc([C@H](Cl)c2cc(Cl)c(Br)cc2F)c(Cl)cc1Br 2282900216 VVCFCVKDOVNIFB-ZDUSSCGKSA-N 465.346 7.125 50 10 JKGE COc1ccc(Br)c2c1nc([C@@H](C)Cl)n2C[C@H](C)COCc1ccccc1 2286082822 JFFACPNABZXFLF-LSDHHAIUSA-N 451.792 5.960 50 10 JKGE Clc1ccc(I)cc1O[C@H]1C[C@@H](Br)C12CCCCCC2 2288258360 VOWZZIAECDFZCS-CABCVRRESA-N 469.588 6.200 50 10 JKGE CCCCc1ccc([C@@H](Br)Cc2cc(Br)cc(Br)c2)s1 2295267742 PYYNADXXSHERFJ-HNNXBMFYSA-N 481.091 7.294 50 10 JKGE N#CC(=Cc1cc(Cl)ccc1OCc1ccc(Br)cc1)S(=O)(=O)c1ccccc1 2295561189 WYEUCAFNPNQREJ-UHFFFAOYSA-N 488.790 6.020 50 10 JKGE Cc1ccc(NC(=O)C(C#N)=C2S[C@@H](Cc3cccc(C)c3)C(=O)N2c2ccc(Cl)cc2)cc1 2296834852 RHMMGHYHAGRFQW-DEOSSOPVSA-N 488.012 6.022 50 10 JKGE CC(C)[C@@H](C)[C@@H](Br)c1c(Cl)cc(Br)c(F)c1Br 2300172401 QIQAXXCJNBUMEX-LHLIQPBNSA-N 451.399 6.732 50 10 JKGE CN(Cc1ccc(I)c(Br)c1)C(C)(C)CCBr 2306222187 QWIPJKKTGIZXOM-UHFFFAOYSA-N 475.006 5.049 50 10 JKGE Brc1cc(CO[C@@H]2CCCC[C@H]2Br)ccc1I 2306300476 AZYNDACQDHYVNW-ZWNOBZJWSA-N 473.974 5.276 50 10 JKGE Cc1ccc(CN(Cc2ccccc2)C2(CBr)CCC2)c(O)c1Br 2307477421 MINOIQWGDRXALS-UHFFFAOYSA-N 453.218 5.783 50 10 JKGE N#CC(=Cc1ccccc1OCC(=O)Nc1ccccc1)C(=O)Nc1ccc(Cl)c(C(F)(F)F)c1 2314488254 KUGRBEFCOFWZDI-UHFFFAOYSA-N 499.876 5.922 50 10 JKGE CC(C)c1ccc(N2C(=O)[C@@H](Cc3ccc(F)cc3)SC2=C(C#N)C(=O)NCc2ccccc2)cc1 2314594056 YHSVGJKXIGVBSW-AREMUKBSSA-N 499.611 5.692 50 10 JKGE CC(C)c1ccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)C=Cc4ccc(Cl)cc4)ccc32)cc1 2314634294 YRWZPQKJHBYBJE-MHZLTWQESA-N 470.956 6.300 50 10 JKGE Cc1ccc(C=CC(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@@H]3c2ccccc2Br)cc1 2314634461 VFMRPPXLKYUNRM-RUZDIDTESA-N 487.353 5.595 50 10 JKGE CCOc1cc(C=C(C#N)C(=O)NCc2ccco2)ccc1OC(=O)Nc1cccc(Cl)c1 2314755065 PVADRIAKYLTKRT-UHFFFAOYSA-N 465.893 5.166 50 10 JKGE C[C@]1(F)C[C@H]([C@@H](Br)c2c(Cl)cc(Br)c(F)c2Br)C1 2315446077 CEZPITGIWKRPEI-UYRYILJUSA-N 467.373 6.578 50 10 JKGE Cc1c([C@H](Br)c2sc(Br)cc2Br)ccc(Cl)c1Cl 2316976386 RQGSJDSHXNQVCW-JTQLQIEISA-N 493.873 7.373 50 10 JKGE CCOc1ccc(C=CC(=O)NNC(=O)c2ccc(-c3ccc(Cl)c(Cl)c3)nc2C)cc1 2321178214 BMTFDGOSIIVHNA-UHFFFAOYSA-N 470.356 5.237 50 10 JKGE CC(C)(C)OC(=O)N1CC[C@@H](C2CCC3(CCC[C@@H](CI)O3)CC2)C1 2327994471 YCMGNLUXCMQWSK-RXCRORICSA-N 463.400 5.177 50 10 JKGE N#CC(=C(O)CCCN1C(=O)c2ccc([N+](=O)[O-])cc2C1=O)c1nc(-c2ccccc2Cl)cs1 2331271267 CIVQPAMUFMQZHJ-UHFFFAOYSA-N 494.916 5.241 50 10 JKGE COc1ccc(OCCCC(O)=C(C#N)c2nc(-c3cccc(Br)c3)cs2)cc1 2331279020 YXHAYXDYXSUPJW-UHFFFAOYSA-N 471.376 6.233 50 10 JKGE COc1ccc(OCC(O)=C(C#N)c2nc(-c3ccc([N+](=O)[O-])cc3)cs2)c(C(C)(C)C)c1 2331281157 MLLRKFBCBZSVKG-UHFFFAOYSA-N 465.531 5.896 50 10 JKGE CCCOc1ccc(-c2csc(C(C#N)=C(O)c3cc(OC)cc(OC)c3)n2)cc1OCCC 2331293338 YEIGORSMDVCAFS-UHFFFAOYSA-N 480.586 6.355 50 10 JKGE Cc1ccc(C)c(-c2csc(C(C#N)=C(O)CN3C(=O)c4ccc(Br)cc4C3=O)n2)c1 2331320242 MSNFCKLZVHPPSH-UHFFFAOYSA-N 494.370 5.278 50 10 JKGE CCCCc1ccc(N2C[C@@H](C(O)=C(C#N)c3nc(-c4ccc5c(c4)OCO5)cs3)CC2=O)cc1 2331335867 UZGVMZZBIAFDJF-IBGZPJMESA-N 487.581 5.727 50 10 JKGE CCOc1ccc(OCC)c(-c2csc(C(C#N)=C(O)C=Cc3ccc(OC)c(OC)c3)n2)c1 2331376609 YDCVHLAZHYTAQV-UHFFFAOYSA-N 478.570 6.131 50 10 JKGE Fc1ccc(F)c([C@@H](Br)c2ccc(OCc3ccccc3)cc2Br)c1F 2336052788 DGXHFKHRXGNBTB-IBGZPJMESA-N 486.125 6.930 50 10 JKGE COc1ccsc1[C@@H](Br)c1c(C)cc(Br)c(F)c1Br 2339648266 JNKNVXMVMMKERX-NSHDSACASA-N 472.999 6.214 50 10 JKGE Cc1cc(Br)c(F)c(Br)c1[C@@H](Br)C1(C(F)(F)F)CC1 2339681484 IQTNJZQUTULFAV-SNVBAGLBSA-N 468.908 6.438 50 10 JKGE Cc1cc(Br)c(F)c(Br)c1[C@@H](Cl)c1c(Br)ncn1C 2339691938 SHZFWLBCRXPVQZ-SECBINFHSA-N 475.381 5.483 50 10 JKGE Clc1cc(Cl)cc(CC[C@@H](Cl)c2sc(Br)cc2Br)c1 2341117053 QRUSUJDFRRNLGB-LLVKDONJSA-N 463.449 7.493 50 10 JKGE Fc1cc(OCc2cc(I)ccc2Cl)ccc1CBr 2352425147 CDXZCZUVEUHAGZ-UHFFFAOYSA-N 455.492 5.558 50 10 JKGE CCN(C[C@@](C)(CI)OCC(C)(C)Cc1ccccc1)C(=O)OC(C)(C)C 2364248809 ONKGUUBJUGDLGP-JOCHJYFZSA-N 489.438 5.723 50 10 JKGE COc1ccc([C@@H](Br)c2ccc(Cl)c(Cl)c2C)cc1I 2364534416 NVNNQHZSFRUSOY-CQSZACIVSA-N 485.974 6.399 50 10 JKGE CN(CC[C@@H](Br)c1cccs1)Cc1ccc(I)c(Cl)c1 2366193653 ZBMUNMKYRPKPLB-GFCCVEGCSA-N 484.628 5.964 50 10 JKGE COc1ccc(Cl)cc1NC(=O)/C(C#N)=C/c1cn(-c2ccccc2)nc1-c1ccc(Cl)cc1 2749307 WUGHRQDNFBLFCB-QGOAFFKASA-N 489.362 6.400 50 10 JKGE O=C(COc1ccc2ccccc2c1)NN=Cc1ccc(OCc2ccc(Cl)cc2Cl)cc1 8722677 CZZKHFSUBDGMNS-UHFFFAOYSA-N 479.363 6.255 50 10 JKGE CCn1c2ccccc2c2cc(/C=N/NC(=O)[C@@H](C)Oc3ccc(Cl)cc3Cl)ccc21 12577508 FEBDMLOJMKZGCJ-PJAVDKHJSA-N 454.357 6.039 50 10 JKGE CCCCCCOc1ccc(C(=O)NNC(=O)c2ccc(NC(=O)c3cccc(C)c3)cc2)cc1 14028403 HDONZDTYGWUTSO-UHFFFAOYSA-N 473.573 5.281 50 10 JKGE Cc1nn(-c2ccccc2)c(N2CCCC2)c1/C=C(/C#N)c1nc(O)c2c(C)c(C)sc2n1 33499267 CZDJFEFGMLXZQF-AQTBWJFISA-N 456.575 5.172 50 10 JKGE COc1ccccc1OCCOc1c(Cl)cc(Cl)cc1/C=C(/C#N)C(=O)Nc1cccc(C)c1 33633808 LCJUSVGYVDGSAS-UYRXBGFRSA-N 497.378 6.314 50 10 JKGE N#C/C(=C/c1ccc(OC(=O)c2cccc(Cl)c2)cc1)C(=O)Nc1ccc(Cl)cc1[N+](=O)[O-] 33930211 UIXPTVYEQNFICY-YBEGLDIGSA-N 482.279 5.666 50 10 JKGE CC1=C(C#N)C(=O)N(Cc2ccc(C)cc2)C(=O)/C1=C/c1ccc(-c2cc(Cl)ccc2Cl)o1 38608413 NSJQZUNQBRKLIM-UDWIEESQSA-N 477.347 6.354 50 10 JKGE CC(C)COc1ccc(C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@H]3c2cccc3ccccc23)cc1 38657842 OOGFOGQOIPCULJ-LJAQVGFWSA-N 490.559 6.312 50 10 JKGE CCOc1ccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4ccc(F)cc4)ccc32)cc1OCC 38679052 RJZPMODCOGBICT-RUZDIDTESA-N 474.488 5.060 50 10 JKGE C=CCOc1cccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4ccccc4OCCC)ccc32)c1 38684612 JLBWEIWWPOCJLI-MHZLTWQESA-N 482.536 5.478 50 10 JKGE Cc1ccc(Oc2nc3c(C)cccn3c(=O)c2/C=C(\C#N)C(=O)Nc2cc(C)ccc2C)cc1 39992843 FDKYUMHUSHDRLH-RCCKNPSSSA-N 464.525 5.266 50 10 JKGE Cc1ccc2c(CC(=O)N/N=C3\CCCc4oc(C(=O)NNc5ccccc5)c(C)c43)coc2c1C 40826698 UJINBJJLAVNWLD-JBASAIQMSA-N 484.556 5.107 50 10 JKGE CCOC(=O)/C(C#N)=C/c1ccc(OC(=O)CCCOc2ccc(C(C)C)c(C)c2)c(OCC)c1 54624881 SONYTIDLQBLQKW-CJLVFECKSA-N 479.573 5.752 50 10 JKGE CCCN(CCC)c1ccc(C(=O)N/N=C/c2ccccc2OCc2ccc(C(=O)O)cc2)cc1 59165936 IOPSTOUQLAVCRE-VUTHCHCSSA-N 473.573 5.354 50 10 JKGE CCOc1ccc(NC(=O)/C(C#N)=C/c2ccc(OCc3ccc(Br)cc3)cc2)cc1 59297078 OTXFBJRJLODVFR-HMMYKYKNSA-N 477.358 5.972 50 10 JKGE Cc1c(/C=C(\C#N)C(=O)NC[C@@H]2CCCO2)c2ccccc2n1Cc1ccc(Cl)cc1Cl 59396274 KRPGTXJCSFLHEJ-OBXYEHHASA-N 468.384 5.507 50 10 JKGE CCOc1cc(/C=C(\C#N)C(=O)Nc2ccccc2)cc(Br)c1OCc1ccccc1 59484107 NRNWFSPFMDGBJQ-DEDYPNTBSA-N 477.358 5.972 50 10 JKGE CC(C)(C)c1ccc(OCCOc2ccc(/C=C(/C#N)C(=O)NCc3ccco3)cc2Cl)cc1 96793099 PZKFITZUPHKBKS-HKWRFOASSA-N 478.976 5.912 50 10 JKGE COc1cc(/C=C2/C(=O)N(C3CCCCC3)C(=O)C(C#N)=C2C)ccc1OCc1ccccc1Cl 101339126 YVGKBUIWYMKTHQ-HYARGMPZSA-N 490.987 5.853 50 10 JKGE CCc1cccc(CC)c1N/C(SCc1cccc(OC)c1)=C(\C#N)S(=O)(=O)c1ccccc1 104689251 WROCTITZGSROED-RFBIWTDZSA-N 492.666 6.332 50 10 JKGE COc1ccc([C@@H](Br)c2ccccc2I)cc1Br 109834037 UWQALGFTUQLDPT-CQSZACIVSA-N 481.953 5.547 50 10 JKGE COc1ccc([C@H](Br)c2ccc(Br)cc2F)cc1Br 109834154 GITZPLKSDKILCZ-AWEZNQCLSA-N 452.943 5.844 50 10 JKGE Fc1cc([C@H](Br)c2c(F)cc(Br)cc2F)c(F)cc1Br 127660699 NNHOYXFGUODNRM-ZDUSSCGKSA-N 476.887 6.252 50 10 JKGE CCCCCCCCCOc1ccc(/C=C(/C#N)c2nc3ccccc3n2CC)c(Cl)c1 169939941 KHBOSLBROYCXRY-PYCFMQQDSA-N 450.026 7.903 50 10 JKGE CC(C)(C)[Si](C)(C)OC[C@@H]1OC=C[C@@H](O[Si](C)(C)C(C)(C)C)[C@@H]1O[Si](C)(C)C(C)(C)C 195805971 FMXIGEXRLSNRMR-HKBOAZHASA-N 488.934 7.702 50 10 JKGE CCCCCCOc1ccc(/C=C(/C#N)C(=O)Nc2c(C(C)C)cccc2C(C)C)cc1OC 206239531 VDWDBBJDOUIEIK-QJOMJCCJSA-N 462.634 7.447 50 10 JKGE COc1ccccc1C[C@H](Cl)c1cc(I)ccc1Br 234879157 OPJJHNADUOEYPX-AWEZNQCLSA-N 451.529 5.585 50 10 JKGE Cc1cc(Br)c([C@H](Cl)c2cc(Cl)cc(Br)c2)cc1Br 235823613 ICXBDKFVMGKBCE-CQSZACIVSA-N 487.844 7.264 50 10 JKGE CCCOc1ccc(C(=O)NN=Cc2ccc(OC(=O)c3ccc(OCCC)cc3)c(OC)c2)cc1 254396729 BXEAYUNKQDTDKO-UHFFFAOYSA-N 490.556 5.256 50 10 JKGE COc1ccc(C(=O)Oc2ccc3ccccc3c2C=NNC(=O)COc2ccc(C(C)C)cc2)cc1 254480806 KWJVMQWEJFJULT-UHFFFAOYSA-N 496.563 5.720 50 10 JKGE Brc1cc2c(cc1[C@@H](Br)c1csc(I)c1)CCO2 308417345 QAVARMZJFCNTRV-ZDUSSCGKSA-N 499.993 5.534 50 10 JKGE BrCc1cc(Br)cc(Br)c1OCOC1CCCCC1 311597645 FSUQVQKRPCCZCH-UHFFFAOYSA-N 457.000 5.792 50 10 JKGE Cc1cccc([C@H]2CN(C(=O)OCc3ccccc3)C[C@@H]2CBr)c1Br 382722877 OKUHFQXVUDVBDD-WMZOPIPTSA-N 467.201 5.505 50 10 JKGE Fc1cc(Br)c([C@H](Cl)c2ccccc2I)c(F)c1F 398537860 VGGSJKUANBQQNP-LLVKDONJSA-N 461.446 5.799 50 10 JKGE CC(C)(C)OC(=O)NCCN1CCC[C@@H](c2ccccc2CCO[Si](C)(C)C(C)(C)C)C1 616619579 IOXNPEWBKJZNQJ-JOCHJYFZSA-N 462.751 5.955 50 10 JKGE COCc1cc(Br)c([C@@H](Cl)c2cc(Cl)ccc2I)s1 688078489 IHIXLSMSKSLVRP-LBPRGKRZSA-N 492.003 6.243 50 10 JKGE Fc1cccc([C@@H](Br)c2cc(Cl)cc3c2OCC3)c1I 721696413 FQTPFVIDPNSXFX-CYBMUJFWSA-N 467.503 5.503 50 10 JKGE C/C(C=O)=C\CC[C@H](C)[C@@H]1CC[C@]2(C)C3=C(CC[C@@]12C)[C@]1(C)CCC(=O)C(C)(C)[C@H]1CC3=O 1077997677 KZOBOICRKKYGAQ-WXHWHRTJSA-N 452.679 7.045 50 10 JKGE N#C/C(=C/c1ccc(OCc2ccc(Cl)c(Cl)c2)cc1)C(=O)Nc1cccc([N+](=O)[O-])c1 1084096877 NUGILQSNNLXDSI-YVLHZVERSA-N 468.296 6.026 50 10 JKGE COc1ccc(C=NNC(=O)CSc2c(Cl)c(Cl)c(Cl)c(Cl)c2Cl)cc1O 1084555560 IXLAYLOOKWMPNI-UHFFFAOYSA-N 488.607 5.910 50 10 JKGE Cc1ccc(N2C(=O)[C@@H](Cc3ccccc3C)S/C2=C(\C#N)C(=O)N[C@H](C)c2ccccc2)cc1C 1614653290 PXGVKFLNQPZBBW-NZBROUCASA-N 495.648 5.916 50 10 JKGE COc1ccccc1NC(=O)c1oc2c(c1C)C(=NNC(=O)Cc1coc3cc(C)cc(C)c13)CCC2 1772751911 FVDVQPFARDTAPZ-UHFFFAOYSA-N 499.567 5.611 50 10 JKGE CCc1ccc(OCCCC(=O)NN=Cc2ccc(OC(C)C)c(OC)c2)c(Br)c1 1772755574 MRSJZLOVAIVQBV-UHFFFAOYSA-N 477.399 5.117 50 10 JKGE CCOc1ccc(Br)cc1C=NNC(=O)[C@H](C)Oc1cc(C)c(Cl)c(C)c1 1772755653 BYDDDQZXZARCET-AWEZNQCLSA-N 453.764 5.036 50 10 JKGE Cc1ccc(CCCC(=O)Nc2cccc3c(OC(=O)Nc4ccc(SC#N)cc4)cccc23)cc1 1858776671 QBBWZKQAAOGEQG-UHFFFAOYSA-N 495.604 7.294 50 10 JKGE COc1ccc(-c2nn(Cc3ccccc3Cl)c3c2[C@@H](c2ccc(O)cc2)C(C#N)=C(N)O3)cc1 1865684023 LITBNFLCBWVTSW-QHCPKHFHSA-N 484.943 5.184 50 10 JKGE CCOc1cccc([C@H]2C(C#N)=C(N)Oc3c2c(C(F)(F)F)nn3Cc2c(F)cccc2Cl)c1 1865689909 GGDCNUFQEXETIX-SFHVURJKSA-N 492.860 5.360 50 10 JKGE CCOc1cccc([C@@H]2C(C#N)=C(N)Oc3c2c(-c2ccccc2)nn3Cc2ccc(F)cc2)c1 1865690355 PFGHIKOECIOZPY-XMMPIXPASA-N 466.516 5.354 50 10 JKGE COc1ccc(-c2nn(-c3ccc(C)cc3)c3c2[C@H](c2ccc(F)cc2F)C(C#N)=C(N)O3)cc1 1865702036 LEHXRTLEKDRNQJ-HSZRJFAPSA-N 470.479 5.353 50 10 JKGE COc1ccc([C@H](C(=O)N[C@@H](C(=O)Nc2ccc(SC#N)cc2)c2ccccc2)C2CCCC2)cc1 1867012357 XQHCRMQWTITUJJ-KAYWLYCHSA-N 499.636 6.038 50 10 JKGE COc1cccc(/C=C2\Oc3c(ccc(OCc4ccc(CCl)cc4)c3C)C2=O)c1OC 1871436806 QPSVUHYPHOFQIT-QRVIBDJDSA-N 450.918 5.946 50 10 JKGE N#C/C(=C(/O)[C@@H](Cc1ccccc1)N1C(=O)c2ccccc2C1=O)c1nc(-c2cccs2)cs1 1872750913 UBTUGSVVTPFIOM-GKYQZKGUSA-N 483.574 5.572 50 10 JKGE COc1cc(C)c(-c2csc(/C(C#N)=C(\O)c3cc4ccccc4oc3=O)n2)cc1C(C)C 1872753744 KXRFTMUCNHZPFI-GFMRDNFCSA-N 458.539 6.307 50 10 JKGE COc1cc(C)c(-c2csc(/C(C#N)=C(\O)CNC(=O)c3ccc(C(C)(C)C)cc3)n2)cc1C 1872758280 TXMFBFRCORENTH-LNVKXUELSA-N 475.614 5.956 50 10 JKGE CCCOc1ccc(-c2csc(/C(C#N)=C/c3ccc(N(CC)Cc4ccccc4)cc3)n2)cc1 1872791006 QGJMKWYMBXFJEQ-LGUFXXKBSA-N 479.649 7.690 50 10 JKGE CCOc1ccc(/C=C(\C#N)c2nc(-c3cc(Cl)cc(Cl)c3OC)cs2)cc1OC 1872792684 LGIKDJJKGLGRNE-VGOFMYFVSA-N 461.370 6.597 50 10 JKGE COc1cc(C)c(-c2csc(/C(C#N)=C/c3ccc(Br)cc3)n2)cc1C(C)C 1872793011 CXUSKQNIHZVXLG-LICLKQGHSA-N 453.405 7.077 50 10 JKGE C[C@@H]1C[C@H]1CC[C@H](Br)c1c(Br)sc(Br)c1Br 1897160889 AIVGZJWIQQEYCT-QYNIQEEDSA-N 495.900 6.908 50 10 JKGE CC1(C)C[C@@]1(Cl)[C@@H](Br)c1ccc(OCc2ccccc2)cc1Br 1899856693 KPFWONLTEHDARV-PKOBYXMFSA-N 458.621 6.872 50 10 JKGE COc1cc([C@H](Br)c2c(C)nsc2Br)c(OC)cc1Br 1912982784 QRAWITZTXGQEIH-LBPRGKRZSA-N 486.023 5.478 50 10 JKGE C[C@@H](CBr)N(Cc1ccccc1)C(=O)c1ccc2cc(Br)ccc2c1 1914229489 SGKGBKLUHBCFQH-HNNXBMFYSA-N 461.197 6.028 50 10 JKGE C[C@@H](CCBr)N(Cc1ccccc1)c1ccc(S(=O)(=O)C(F)(F)F)cc1 1915085965 BQSCIBUQHSWTEI-AWEZNQCLSA-N 450.320 5.160 50 10 JKGE Clc1ccc(C[C@@H](Br)c2sc(Br)cc2Br)cc1 1922934042 BQANXWGRABXCOK-SECBINFHSA-N 459.428 6.605 50 10 JKGE FC(F)(F)c1ccccc1[C@@H](Cl)c1c(Br)sc(Br)c1Cl 1923049472 LYRMRTIUJNPIAR-MRVPVSSYSA-N 468.947 7.274 50 10 JKGE C[C@@H](c1ccncc1Br)[C@H](Cl)c1cc(Br)sc1Br 1924037513 ZLJHMEIQIWCRHJ-KGFZYKRKSA-N 474.443 6.514 50 10 JKGE CCc1cc(Br)c([C@H](Br)c2ccccc2OCc2ccccc2)s1 1942102943 ZEYUUMDHYPIIIY-LJQANCHMSA-N 466.238 7.136 50 10 JKGE Brc1ccc([C@@H](Br)c2cc(C3CC3)c(Br)s2)s1 1945803840 ODIQDEYNOMVEMG-LLVKDONJSA-N 457.050 6.696 50 10 JKGE BrCc1ccc(Br)cc1N1CCCN(Cc2ccccc2)CCC1 1947192395 YDHHIXAJIROGGY-UHFFFAOYSA-N 452.234 5.446 50 10 JKGE FC1(F)CC[C@@H]2[C@H]([C@@H](Br)c3cc(Br)sc3Br)[C@H]21 2004116200 YGYJVOOGRFVCSQ-VIJCPXHPSA-N 450.968 6.000 50 10 JKGE COc1sc([C@H](Br)c2cc(Cl)cc(Br)c2)cc1Br 2034630655 XVGBKGQXIJOCFB-LLVKDONJSA-N 475.427 6.419 50 10 JKGE COc1cc(Br)c(Oc2ncc(CBr)s2)cc1Br 2037791732 ZSJXOSFDXONYCC-UHFFFAOYSA-N 457.969 5.364 50 10 JKGE Clc1cc(C[C@H](Br)c2cccc(Br)c2)ccc1Br 2050534773 DGLSACOVFIIZNU-ZDUSSCGKSA-N 453.399 6.544 50 10 JKGE Cn1cnc2sc([C@H](Br)c3sc(Br)cc3Br)cc21 2054802709 VTVDIDHDULEAOT-VIFPVBQESA-N 471.037 5.706 50 10 JKGE Cc1sc(Br)cc1[C@H](Br)c1cc(Cl)c(Cl)c(Cl)c1Cl 2095696607 MEHUFXKLNNEAKX-VIFPVBQESA-N 483.867 7.917 50 10 JKGE Fc1ccc(Br)cc1[C@@H](Br)c1cc(Br)c(Cl)cc1F 2097833107 ACTZEYNABCPWLT-CYBMUJFWSA-N 475.352 6.628 50 10 JKGE FC1(F)C[C@]12CCC[C@@H]([C@H](Br)c1cc(Br)sc1Br)C2 2099910968 IOEJAUFLMBWYIM-INNHCVQGSA-N 479.022 6.925 50 10 JKGE Fc1ccc(Br)c(F)c1C[C@H](Br)c1ccccc1Br 2113445111 SQWMRFKKGCVYBT-LBPRGKRZSA-N 454.934 6.169 50 10 JKGE Oc1nc2cc([C@@H](Br)c3cc(Br)cs3)c(Br)cc2[nH]1 2115923839 IRKWSUXBBSVBEP-LLVKDONJSA-N 466.980 5.339 50 10 JKGE BrCC1(Cc2cc(Br)ccc2Br)CC2(CCCC2)C1 2118529202 CCBRWTIRFSBTQR-UHFFFAOYSA-N 451.040 6.490 50 10 JKGE FC1(F)CC2(CC([C@@H](Br)c3ccc(Br)cc3Br)C2)C1 2138861844 HOVRJDCMWYTNRK-GFCCVEGCSA-N 458.966 6.473 50 10 JKGE FC1(F)[C@H]2C[C@](CBr)(Cc3ccc(I)c(Cl)c3)C[C@H]21 2142939092 DMAOMEORCYTQAC-IWIIMEHWSA-N 461.515 5.544 50 10 JKGE FC1(F)CN(Cc2ccccc2)CCCCN(c2ccc(CCl)c(Br)c2)C1 2164875439 OHDCLSUYQLNVAR-UHFFFAOYSA-N 457.790 5.926 50 10 JKGE COc1cc([C@@H](Br)c2nc(C)sc2Br)c(OC)cc1Br 2169495090 KGCPQAJSNJKJAR-LLVKDONJSA-N 486.023 5.478 50 10 JKGE Cc1ccc(Br)cc1[C@@H](Br)c1c(Br)cc(F)c(Cl)c1F 2201616272 AHVQEOIIRIHPQC-GFCCVEGCSA-N 489.379 6.936 50 10 JKGE Cc1cc(Br)cc([C@H](Br)c2c(Br)cc(F)c(Cl)c2F)c1 2201619499 RCAYSPIGNXXQTP-LBPRGKRZSA-N 489.379 6.936 50 10 JKGE CC(C)(C)OC(=O)NCCCN(CCCCCI)Cc1ccccc1 2208959193 JXGWOGAGUFIJLM-UHFFFAOYSA-N 460.400 5.009 50 10 JKGE BrCc1c(Br)cccc1OC[C@H]1CC1(Br)Br 2210243360 ABGOFTSEBFNVQH-SSDOTTSWSA-N 477.816 5.229 50 10 JKGE CCCC[C@@H](C)CC[C@H](Br)c1cc(Br)c(Br)cc1F 2225620272 SJPDVINXCCDZJX-PWSUYJOCSA-N 459.035 7.393 50 10 JKGE Cc1cc([C@@H](Cl)c2c(Br)cc(C)c(Br)c2C)oc1Br 2227349353 RIWRNLOXWCPGSR-CYBMUJFWSA-N 471.414 6.821 50 10 JKGE Cc1nn(C)c([C@@H](Br)Cc2ccc(Br)cc2Cl)c1Br 2229154190 VYMCSZZNNVEAGI-JTQLQIEISA-N 471.418 5.586 50 10 JKGE C[C@@H]1CN(Cc2ccccc2)C[C@@H]1n1c(CCCl)nc2c(F)cc(Br)cc21 2232920555 QCUHBBOBLUOCML-KUHUBIRLSA-N 450.783 5.412 50 10 JKGE Brc1cccc(CN2CC[C@H]3[C@H](CCC[C@H]3Br)C2)c1Br 2233851902 CVFVAEXOIWHSIB-KWCYVHTRSA-N 466.055 5.597 50 10 JKGE O=C(c1scc(Br)c1Cl)N(Cc1ccccc1)[C@H](CBr)C1CC1 2242666224 LOFGZKZBESCKPI-CQSZACIVSA-N 477.649 5.980 50 10 JKGE Clc1cccc([C@@H](Cl)c2cc(Br)c(Br)s2)c1Br 2248090485 HYBIBXHDSJAXCK-SNVBAGLBSA-N 479.846 7.017 50 10 JKGE Cc1c(Br)sc([C@H](Br)[C@@H]2COC3(CCC3)C2)c1Br 2257144306 NIBOKPXFTRYXMB-WCBMZHEXSA-N 459.041 5.977 50 10 JKGE C[C@@H]1O[C@H](C)[C@H]([C@H](Br)Cc2cc(Br)cc(Br)c2)[C@H]1C 2277961645 WRERENKEBIGMIF-TUWBQHJRSA-N 455.028 5.577 50 10 JKGE Clc1ccc([C@@H](Cl)c2csc3c(Br)cccc23)cc1I 2283587304 SGJQQDIULXOGNJ-CQSZACIVSA-N 498.010 7.250 50 10 JKGE COc1ccc([C@@H](Cl)c2cc(F)c(Br)cc2Cl)cc1I 2285007106 HQEADQFGXPQTMA-CQSZACIVSA-N 489.937 6.183 50 10 JKGE C=CC[C@]1(CBr)CCCCN1Cc1cc(Cl)ccc1I 2287739056 OGYCMMMCBZTOMX-MRXNPFEDSA-N 468.604 5.640 50 10 JKGE CC[C@@H](CC(F)(F)F)[C@@H](Br)c1c(F)cc(Br)c(F)c1Br 2288346962 OEYPJWIOKWBKJT-SSDLBLMSSA-N 488.914 6.904 50 10 JKGE COc1cc(C=C(C#N)C(=O)Nc2ncc(Cc3ccc(Cl)cc3Cl)s2)ccc1O 2293031382 IOODVNGOZRLKHW-UHFFFAOYSA-N 460.342 5.301 50 10 JKGE N#CC(=Cc1cc(Cl)ccc1OCc1cccc(C(F)(F)F)c1)C(=O)NC1CCCCC1 2295672425 XJZQPXIADXDNEL-UHFFFAOYSA-N 462.899 6.294 50 10 JKGE N#CC(=Cc1ccc(-c2cccc(Cl)c2)o1)C(=O)Nc1ncc(Cc2ccccc2Cl)s1 2296818998 JLNGRVWGBRXSIT-UHFFFAOYSA-N 480.376 6.846 50 10 JKGE Cc1ccc(C[C@@H]2SC(=C(C#N)C(=O)N3CCCCC3)N(c3ccccc3)C2=O)cc1Cl 2296834473 VLEBRRDSDYAMAF-QFIPXVFZSA-N 466.006 5.087 50 10 JKGE Cn1cc(Cl)c([C@@H](Br)c2ccc(OCc3ccccc3)cc2Br)n1 2299534853 IJFIZCHXJLPADJ-KRWDZBQOSA-N 470.592 5.899 50 10 JKGE Fc1cc([C@H](Cl)c2sc(Cl)cc2I)ccc1Br 2301085944 JPRLJGBZYZBGNX-JTQLQIEISA-N 465.940 6.236 50 10 JKGE Cc1c(Br)sc([C@H](Br)[C@@H]2CC[C@@H]3C[C@H]2CO3)c1Br 2312740965 BOEVEFBIICGQMD-YSSBGUOXSA-N 459.041 5.833 50 10 JKGE CCOc1cc(C=C(C#N)C(=O)N(C)C)c(Br)cc1OCc1ccc(Cl)c(Cl)c1 2313568007 NIFCQEQAJODVPO-UHFFFAOYSA-N 498.204 5.729 50 10 JKGE Fc1ccc(C[C@@H](Br)c2ccc(OCc3ccccc3)cc2Br)cc1 2314447721 BFRMLLVFQHEHOF-HXUWFJFHSA-N 464.172 6.846 50 10 JKGE Cc1ccc(Cl)c([C@@H](Br)c2ccc(OCc3ccccc3)cc2Br)c1 2314461732 RQOBRBZOFWVLOA-NRFANRHFSA-N 480.627 7.474 50 10 JKGE N#CC(=Cc1cn(-c2ccccc2)nc1-c1ccc(Cl)cc1)C(=O)Nc1ccc([N+](=O)[O-])cc1 2314487098 GRBNDIOJJYMBTO-UHFFFAOYSA-N 469.888 5.647 50 10 JKGE N#CC(=Cc1ccc(OC(=O)C=Cc2ccccc2)cc1)c1nc(-c2ccc3ccccc3c2)cs1 2314548613 DXIFLRJHZQCULS-UHFFFAOYSA-N 484.580 7.646 50 10 JKGE CCCCSc1ccc(-c2nn(-c3ccccc3)cc2C=C2C(=O)N(CC)C(=O)C(C#N)=C2C)cc1 2314617581 GIGGSLIXODFRKX-UHFFFAOYSA-N 496.636 6.044 50 10 JKGE Cc1cc(Br)c(F)c(Br)c1[C@H](Br)[C@H]1C[C@@H]1C(F)F 2317424027 RQPVQIDKUGXRQT-ATVXKPNKSA-N 450.918 5.996 50 10 JKGE COc1ccc([C@H](Br)c2csc(C)c2Br)c(Br)c1 2320498062 TWVGJBUWOFSXHA-ZDUSSCGKSA-N 455.009 6.074 50 10 JKGE CC1(C)[C@H](CBr)CCN1Cc1ccc(I)c(Br)c1 2325206916 LZSONVFQTXMDQK-NSHDSACASA-N 487.017 5.049 50 10 JKGE CCCCc1ccc(-c2csc(C(C#N)=C(O)C=Cc3ccc(OC(C)=O)c(OC)c3)n2)cc1 2331256037 PVKPOZVHGQMAFM-UHFFFAOYSA-N 474.582 6.593 50 10 JKGE CCOc1ccc(-c2csc(C(C#N)=C(O)C=Cc3cc(OC)c(OC)c(OC)c3)n2)cc1 2331305453 FGSCCVXXERBOIH-UHFFFAOYSA-N 464.543 5.741 50 10 JKGE COc1ccc(C=CC(O)=C(C#N)c2nc(-c3cc(Cl)cc(Cl)c3OC)cs2)cc1OC 2331362771 OBAJFMCAUYLTPL-UHFFFAOYSA-N 489.380 6.649 50 10 JKGE Cc1cc(C)c(C)c(-c2csc(C(C#N)=C(O)c3ccccc3I)n2)c1C 2331370260 SOHXVBWFKNVGSS-UHFFFAOYSA-N 486.378 6.598 50 10 JKGE COc1cc(C=C(C#N)c2nc(-c3ccc([N+](=O)[O-])cc3)cs2)ccc1OCc1ccc(C)cc1 2331434245 LWNPPLVZNLDDKG-UHFFFAOYSA-N 483.549 6.679 50 10 JKGE Cc1cc(C)c(C)c(-c2csc(C(C#N)=Cc3ccccc3OCc3ccc(Cl)cc3)n2)c1C 2331468507 SRAMZBOHYJLNCH-UHFFFAOYSA-N 485.052 8.340 50 10 JKGE COC1(C(F)F)CC([C@H](Cl)c2c(Br)sc(Br)c2Cl)C1 2343016827 FSOWUYLFFWYKLD-CTPQFPNMSA-N 458.977 6.267 50 10 JKGE ClCC[C@H]1CCCC[C@@H]1NCc1ccc(I)c(Br)c1 2349849916 DBUAVDCLYNZHOB-DOMZBBRYSA-N 456.593 5.331 50 10 JKGE C[C@@]12CC[C@@](CCl)(C1)N(Cc1ccc(I)c(Br)c1)C2 2349851822 FMKFQOHSSSPQQT-CABCVRRESA-N 454.577 5.037 50 10 JKGE Cc1c(Br)ccc([C@@H](Br)[C@@H]2CC[C@H]3[C@@H](C2)C3(F)F)c1Br 2358114090 DCZBSMMJCVSPOO-KMUQISDUSA-N 472.993 6.637 50 10 JKGE CC12CC([C@@H](Br)c3ccc(OCc4ccccc4)cc3Br)(C1)C1(CCC1)O2 2361213938 IFCUCGGQJGXLKV-HWELCPFYSA-N 492.251 6.956 50 10 JKGE Fc1c(Br)cc(Cl)c([C@H](Cl)c2cc(Cl)cc(Cl)c2)c1Br 2362222424 BNOOMGWVQNVOOA-GFCCVEGCSA-N 481.801 7.639 50 10 JKGE Fc1c(Br)cc(Cl)c([C@H](Br)[C@@H]2CC[C@H]3C[C@H]3CC2)c1Br 2362226280 UMHIIZCOKXZDNQ-LOKDSWTASA-N 489.448 7.266 50 10 JKGE O=S1(=O)CCC[C@@H]([C@@H](Cl)c2c(Cl)cc(Br)c(F)c2Br)C1 2362228736 PAEASOXAHDUNQH-KSBSHMNSSA-N 468.997 5.109 50 10 JKGE COc1c(Br)cc(C)c([C@H](Cl)c2ccccc2Br)c1Br 2365223851 RIQUCYNPYHZNMT-CQSZACIVSA-N 483.425 6.619 50 10 JKGE CCc1ccc([C@@H](Br)c2ccc(Cl)cc2I)cc1CC 2365593969 XBCVRMGYSXYZAP-QGZVFWFLSA-N 463.584 6.554 50 10 JKGE COc1c(Br)cc(C)cc1[C@H](Cl)c1ccc(Cl)cc1I 2365595661 MGRNRIXLJRXYBM-CQSZACIVSA-N 485.974 6.352 50 10 JKGE CN(CC[C@H](Br)c1cccs1)Cc1cccc(Br)c1Br 2366196734 QWTBXCILXAZDPZ-LBPRGKRZSA-N 482.079 6.231 50 10 JKGE Clc1ccc(CN2CCC[C@@]3(CBr)CCC[C@H]23)c(I)c1 2366700450 XQYZIUOCIOJWGD-JKSUJKDBSA-N 468.604 5.474 50 10 JKGE Clc1cc(Br)c([C@H](Br)C[C@@H]2CC[C@@H]2C2CC2)c(Cl)c1Cl 2367952242 ZMCAETQDLZPTIR-IVZWLZJFSA-N 461.452 7.672 50 10 JKGE O=C(c1cc(Br)sc1Br)N1CCC[C@H](Br)[C@H]1C(F)(F)F 2370243903 WAKNDKHGGYGYGC-XPUUQOCRSA-N 499.972 5.204 50 10 JKGE O=C(NC1CCCCC1)[C@H](c1ccc(Cl)cc1)N(Cc1ccc(Cl)cc1)C(=O)CCCl 3035419 DCPKUGVGRFYKMJ-QHCPKHFHSA-N 481.851 6.141 50 10 JKGE Cc1ccc(S(=O)(=O)/C(C#N)=C/c2cn(-c3ccccc3)nc2-c2cc3ccccc3o2)cc1 3635776 BOVBMFPRMGXYQM-BUVRLJJBSA-N 465.534 5.932 50 10 JKGE CCCCOC(=O)c1ccc(NC(=O)/C(C#N)=C\c2ccc(-c3ccc([N+](=O)[O-])cc3)o2)cc1 34896190 VKJAITBCQZOJHP-CYVLTUHYSA-N 459.458 5.357 50 10 JKGE COc1cccc(N2C(=O)CS[C@@H]2c2cccc(NC(=O)[C@H](Cl)c3ccccc3)c2)c1 35927250 JVQDAZGXELNIPF-ISKFKSNPSA-N 452.963 5.392 50 10 JKGE CCCCCOc1ccc(/C=C2/C(=O)N(Cc3ccc(F)cc3)C(=O)C(C#N)=C2C)cc1OCC 38608716 QWRVARBMUYHYKC-HZHRSRAPSA-N 476.548 5.586 50 10 JKGE N#CC1=C(N)Oc2cc(OC(=O)COc3ccccc3Cl)ccc2[C@@H]1c1cccc(Cl)c1 38651192 JTNZHNFBBVEDKR-QHCPKHFHSA-N 467.308 5.196 50 10 JKGE CCCOc1ccccc1C(=O)Oc1ccc2c(c1)OC(N)=C(C#N)[C@@H]2c1cccc2ccccc12 38657942 JGQDWQMXNYTIOU-MUUNZHRXSA-N 476.532 6.066 50 10 JKGE Cc1ccc(NC(=O)c2oc3c(c2C)/C(=N/NC(=O)c2ccc(Cl)cc2Cl)CCC3)cc1C 40813690 BQZYUCFCIJLCKL-ZTKZIYFRSA-N 484.383 6.234 50 10 JKGE COc1cc(/C=C(\C#N)c2ccc(Cl)cc2)ccc1OC(=O)COc1ccc(-c2ccccc2)cc1 40851025 HHGIQHLFWBISHO-KOEQRZSOSA-N 495.962 7.064 50 10 JKGE CC(C)(C)c1ccc(C(=O)N/N=C/c2c(OC(=O)c3ccccc3)ccc3ccccc23)cc1 48573646 WZERTFXWPZUFRV-NDZAJKAJSA-N 450.538 6.120 50 10 JKGE CCOc1ccc([C@H](O)CCC(=O)N/N=C/c2cc(C)n(-c3ccc(F)c(Cl)c3)c2C)cc1 58894524 NOXZWQLHRHDYOO-XZZBMYDMSA-N 471.960 5.249 50 10 JKGE COc1cc(/C=C(/C#N)C(=O)Nc2cccc(Cl)c2)ccc1OCc1cccc(Cl)c1 59117074 DYPGWWUMCALZCY-ZDLGFXPLSA-N 453.325 6.127 50 10 JKGE Cc1c(Cl)cccc1NC(=O)/C(C#N)=C\c1cc(Cl)ccc1OCc1ccccc1F 59233061 MNIAATRRGCLLGC-WQRHYEAKSA-N 455.316 6.566 50 10 JKGE O=C(N/N=C(/CSc1nc2ccccc2[nH]1)c1ccc(-c2ccccc2)cc1)c1ccccc1O 59460771 XRKKLPKVZFEJCL-GDWJVWIDSA-N 478.577 5.862 50 10 JKGE CC1(C)[C@@H](Br)C[C@H]1Oc1c(Br)cc(Br)cc1Br 97646540 YHRKVHBPNLYKRR-VHSXEESVSA-N 491.843 5.915 50 10 JKGE CCCNC(=O)/C(C#N)=C\c1ccc(OC(=O)CCCOc2ccc(Cl)cc2Cl)c(OC)c1 98027942 FUKKRUCBRBXMCP-ATVHPVEESA-N 491.371 5.200 50 10 JKGE CC(C)CCOc1ccc(-c2nn(-c3ccccc3)cc2/C=C(/C#N)C(=O)NC[C@@H]2CCCO2)cc1 102679620 SKJBBFNOQZMMIH-FXZFNGGHSA-N 484.600 5.166 50 10 JKGE Cc1cc(Br)c([C@H](Cl)c2ccc(F)cc2Br)cc1Br 128617792 GBRVWGQEPYBQCI-CQSZACIVSA-N 471.389 6.750 50 10 JKGE CCOc1ccc([C@@H](Br)c2ccc(Br)c(Cl)c2)c(Br)c1 129203837 GFCGNXBGLZIJDP-HNNXBMFYSA-N 483.425 6.748 50 10 JKGE C[C@]12CC[C@H]3[C@@H](C[C@@H](Cl)[C@@]4(Br)CC(=O)CC[C@]34C)[C@@H]1CC[C@]21CCC(=O)O1 206292655 XPBRVIWXBBCULT-JTIMCTONSA-N 457.836 5.409 50 10 JKGE CCOC(=O)/C(C#N)=C\c1ccc(OC(=O)CCCOc2ccc(C(C)C)c(C)c2)c(OC)c1 207297871 VOLHMTJYNXHWAF-QNGOZBTKSA-N 465.546 5.362 50 10 JKGE Cc1cc(I)ccc1N/C=C(/C#N)C(=O)N[C@H](C)C12CC3CC(CC(C3)C1)C2 217038020 YWCXVCODGPDWCK-XONTYSMSSA-N 489.401 5.140 50 10 JKGE COc1cc(Br)c(Oc2ccc(CBr)cc2F)cc1Br 218337472 QBWYRFMBYDBQOY-UHFFFAOYSA-N 468.942 6.047 50 10 JKGE CO[C@@H]1CCC[C@H](Oc2c(Br)cc(CBr)cc2Br)C1 234748928 ZAHVXBAXSRIQED-MNOVXSKESA-N 457.000 5.443 50 10 JKGE Cc1cc([C@@H](Br)c2ccc(Cl)cc2Br)c(C)cc1Br 235864981 BDCTYVPJQMGVJV-HNNXBMFYSA-N 467.426 6.966 50 10 JKGE Fc1ccc([C@H](Br)c2cc(Br)cc3c2OCC3)cc1Br 236221405 GWOPSEDIQVJWKT-AWEZNQCLSA-N 464.954 5.770 50 10 JKGE O=C(COc1ccc(Cl)cc1Cl)NN=Cc1cn(Cc2ccccc2)c2ccccc12 252589651 ALXDIIZQXXXWLV-UHFFFAOYSA-N 452.341 5.526 50 10 JKGE CCC(=NNC(=O)c1cc(-c2ccc(CC)cc2)nc2c(Cl)cccc12)c1ccc([C@H](C)CC)cc1 254697957 DXZVDMLQONXKDZ-HXUWFJFHSA-N 498.070 8.175 50 10 JKGE CCCCCCCCC(=O)NN=Cc1ccc(OC(=O)c2ccc(OCCC)cc2)c(OCC)c1 254745533 IJKHKJSLTKKQRU-UHFFFAOYSA-N 482.621 6.294 50 10 JKGE O=C(COc1ccc(Cl)cc1Cl)NN=Cc1cn(-c2ccccc2)nc1-c1ccccc1 254748978 ITZBYMOJJKFFFE-UHFFFAOYSA-N 465.340 5.375 50 10 JKGE Cc1ccc(CSc2nnc(SCC(=O)NN=C/C(Cl)=C\c3ccccc3)s2)cc1 254833418 POONMPQLDXGLCA-BTZZZLGISA-N 475.064 5.613 50 10 JKGE CCCCCCCOc1ccc(C=NNC(=O)c2ccccc2NC(=O)c2ccc(F)cc2)cc1 254840481 AZFUFQRABUYIKO-UHFFFAOYSA-N 475.564 6.191 50 10 JKGE Cc1ccc(C(=O)Nc2sc(/C(C#N)=C/c3ccc(N4CCCCC4)o3)nc2-c2ccccc2)cc1 334163053 VIYNPZSVUWXCKW-PTGBLXJZSA-N 494.620 7.018 50 10 JKGE Cc1c(I)cccc1-n1c(CCl)nc2ccc(Br)cc21 380406567 GEDNQUWLNJTRTD-UHFFFAOYSA-N 461.528 5.440 50 10 JKGE Fc1ccc(Cl)c([C@H](Br)c2cc(Br)c(Br)s2)c1 383652593 JQDVVWRSODUNPK-JTQLQIEISA-N 463.391 6.550 50 10 JKGE ClCc1cc(Br)cc(Br)c1OCc1ccsc1Br 388879132 HFHCQVWLNXOCKL-UHFFFAOYSA-N 475.427 6.353 50 10 JKGE Cc1cc(F)c([C@@H](Br)c2cc(Cl)ccc2I)cc1C 395846937 KYOROIBCIXXAGW-OAHLLOKOSA-N 453.520 6.185 50 10 JKGE CN(C(=O)OC(C)(C)C)c1cccc([C@H]2CCCN(CCO[Si](C)(C)C(C)(C)C)CC2)c1 616627629 IHCXEXQTSKOIFO-NRFANRHFSA-N 462.751 6.649 50 10 JKGE CN(C)c1ccc([P@@](C)(=O)c2ccccc2-c2ccccc2-c2ccccc2-c2ccccc2)cc1 642814234 RKMVBNRLYHRWOV-PSXMRANNSA-N 487.583 7.697 50 10 JKGE Cc1cc(Br)c([C@H](Cl)c2c(Br)cnn2C)cc1Br 693060354 FGQBEUAUEYRYGT-NSHDSACASA-N 457.391 5.344 50 10 JKGE C[C@H]1CCCN(C(=O)c2ccc(Br)cc2Br)[C@H]1CCBr 697201392 RUSSCJFEMAVGAN-HZMBPMFUSA-N 468.027 5.237 50 10 JKGE C[C@H](CBr)[C@@H]1CCCCN1C(=O)c1scc(Br)c1Br 705441765 KUNJNLVUEUMFAA-SCZZXKLOSA-N 474.056 5.299 50 10 JKGE COc1cc(CBr)cc(Br)c1OCc1ncc(Br)s1 713718838 WWOHHSQBDNTYPT-UHFFFAOYSA-N 471.996 5.151 50 10 JKGE Cc1ccc([C@H](Br)c2ccc(Br)c(Cl)c2)c(C)c1Br 719537475 PYSKTYXORIJDOJ-OAHLLOKOSA-N 467.426 6.966 50 10 JKGE Fc1cc(C[C@H](CBr)c2ccc(Br)cc2)ccc1Br 721998853 KATIRLPXGGUQGC-GFCCVEGCSA-N 450.971 6.072 50 10 JKGE Cc1cc(Cl)ccc1NC(=O)C(=O)NN=Cc1cc(C)n(-c2cc(Cl)cc(Cl)c2)c1C 725403195 MNHMGJYOBIJPJA-UHFFFAOYSA-N 477.779 5.452 50 10 JKGE O=C(NN=Cc1cc(-c2ccccc2)n(-c2ccc(Cl)cc2)c1-c1ccccc1)c1ccccn1 1083907635 JIOOIXOOQUOIKV-UHFFFAOYSA-N 476.967 6.624 50 10 JKGE O=C(NN=Cc1ccc(OCc2cccc3ccccc23)cc1)C(O)(c1ccccc1)c1ccccc1 1083940024 GUNQLRMLDMHBDC-UHFFFAOYSA-N 486.571 5.805 50 10 JKGE O=C(CC[C@H](O)c1ccccc1)NN=Cc1cn(Cc2ccc(Cl)c(Cl)c2)c2ccccc12 1083954495 RCTJAXQJJDWZEY-VWLOTQADSA-N 480.395 5.960 50 10 JKGE COc1ccc(/C=C(/C#N)C(=O)Nc2cccc(Cl)c2Cl)cc1OCc1ccccc1Cl 1083967213 GEFDFNWIZWIZPQ-BOPFTXTBSA-N 487.770 6.780 50 10 JKGE O=C(NN=Cc1ccccc1OCc1ccccc1Cl)C(=O)Nc1cccc(Cl)c1Cl 1084047109 JKCYEZLBDGGLHJ-UHFFFAOYSA-N 476.747 5.315 50 10 JKGE CCOc1ccc([C@@H](O)CCC(=O)NN=Cc2ccc(-c3ccc(Cl)c(Cl)c3)o2)cc1 1084272586 CODKZLGVOUJWRH-NRFANRHFSA-N 461.345 5.616 50 10 JKGE COc1cc(C=NNC(=O)CC[C@H](O)c2ccccc2)cc(Br)c1OCc1ccccc1 1084383717 YTLJALQIOMNNRR-QFIPXVFZSA-N 497.389 5.001 50 10 JKGE COc1cccc(/C=C(/C#N)C(=O)Nc2cc(Cl)ccc2Cl)c1OCc1ccccc1 1084587812 VBLLYUYEPNUPEF-PDGQHHTCSA-N 453.325 6.127 50 10 JKGE CC(C)c1cc(Br)ccc1OCC(=O)NN=Cc1ccc(OCc2ccccc2)cc1 1772755777 RRNJTIXNMATNHO-UHFFFAOYSA-N 481.390 5.681 50 10 JKGE Cc1ccc(C)c(Cn2nc(-c3ccccc3)c3c2OC(N)=C(C#N)[C@@H]3c2cc(C)ccc2O)c1 1865687669 XLKSBWNYASYBAG-VWLOTQADSA-N 462.553 5.447 50 10 JKGE CCCCOc1ccc([C@@H]2C(C#N)=C(N)Oc3c2c(C(F)(F)F)nn3Cc2ccccc2)cc1 1865690157 KCWHCDIEMMRNLT-HXUWFJFHSA-N 468.479 5.347 50 10 JKGE CCCc1nn(-c2ccccn2)c2c1[C@@H](c1ccccc1OCc1ccc(Cl)cc1)C(C#N)=C(N)O2 1865700991 IWNFAJXZZKRWOV-VWLOTQADSA-N 497.986 5.670 50 10 JKGE CCCc1nn(-c2cccc(Cl)c2)c2c1[C@H](c1cc(Cl)c(O)c(OC)c1)C(C#N)=C(N)O2 1865707281 SKQNAWDCXZCWTJ-LJQANCHMSA-N 471.344 5.064 50 10 JKGE N#CC1=C(N)Oc2c(c(-c3ccccc3)nn2-c2ccc(Cl)cc2)[C@H]1c1ccc(C(F)(F)F)cc1 1865711300 VBCQLALPJDTBAG-NRFANRHFSA-N 492.888 6.430 50 10 JKGE COc1ccc([C@H]2C(C#N)=C(N)Oc3c2c(-c2ccccc2)nn3Cc2c(F)cccc2Cl)cc1 1865713015 ONWDCRRVQVVCIN-QHCPKHFHSA-N 486.934 5.618 50 10 JKGE CSCC[C@@H](NC(=O)C[C@@H](c1ccc(Cl)cc1)C(C)C)C(=O)Nc1ccc(SC#N)cc1 1866755936 PIJJOAMETDDWAL-FGZHOGPDSA-N 490.094 5.919 50 10 JKGE COCCc1nc(Nc2ccc(SC#N)cc2)cc(N2CCC[C@H](Oc3ccccc3)C2)n1 1868253496 JJAXNGMQNRDRHG-NRFANRHFSA-N 461.591 5.030 50 10 JKGE Cc1ccc(-c2csc(/C(C#N)=C(\O)c3ccc4c(c3)C(=O)N(Cc3ccccc3)C4=O)n2)c(C)c1 1872749059 ZNJBMXRCAHTJEG-LCUIJRPUSA-N 491.572 6.173 50 10 JKGE CCCCCCCOc1ccc(-c2csc(/C(C#N)=C(\O)Cc3ccc(OCC)cc3)n2)cc1 1872753081 GTWVSDHBIIWFTG-RFBIWTDZSA-N 476.642 7.593 50 10 JKGE COc1cc(/C(O)=C(\C#N)c2nc(-c3cc(C)c(Cl)cc3OC)cs2)c([N+](=O)[O-])cc1OC 1872756906 HAHTXRLRQXEMLF-STZFKDTASA-N 487.921 5.656 50 10 JKGE CCOc1ccccc1OC/C(O)=C(\C#N)c1nc(-c2ccc(OC)c3ccccc23)cs1 1872758895 VVWBFWFZTIIILM-XDOYNYLZSA-N 458.539 6.242 50 10 JKGE COc1ccc(-c2csc(/C(C#N)=C(\O)c3ccc(Cl)c(Cl)c3)n2)c(OC)c1OC 1872759035 BNFHSEWREKNILU-AQTBWJFISA-N 463.342 6.093 50 10 JKGE Brc1sc(Br)c([C@H](Br)C2COC2)c1Br 1884434908 SEHFCOHLYUMHGQ-RXMQYKEDSA-N 469.818 5.118 50 10 JKGE Cl[C@@H](c1cc(Br)sn1)c1ccc(OCc2ccccc2)cc1Br 1899877355 QTZHPJCIGNXNDP-QGZVFWFLSA-N 473.617 6.575 50 10 JKGE O=C(N[C@H](CCBr)COCc1ccccc1)c1scc(Br)c1Cl 1902790237 HOIMSCFIWRWPMS-GFCCVEGCSA-N 481.637 5.264 50 10 JKGE C[C@H](c1cccs1)N(Cc1ccccc1)S(=O)(=O)c1ccc(CCl)cc1Br 1914890979 KISRZAQLXFIEKV-OAHLLOKOSA-N 484.868 6.202 50 10 JKGE Clc1c(Br)sc(Br)c1[C@@H](Br)[C@@H]1CC[C@H]2C[C@H]2CC1 1923068463 RUDJOUIVUQSMLT-ODHVRURNSA-N 477.487 7.189 50 10 JKGE CC(C)CC[C@H](Br)c1c(Br)sc(Br)c1Br 1924575586 CFTBARTZIFLLFL-LURJTMIESA-N 483.889 6.908 50 10 JKGE Cl[C@H](c1c(Br)sc(Br)c1Br)c1cccc2ccccc12 1924599320 FPDKPKPPYJGLQQ-ZDUSSCGKSA-N 495.461 7.517 50 10 JKGE Brc1cc([C@@H](Br)c2csnc2Br)cc2c1OCCC2 1925260736 BTMRBZOHTWOSMB-LLVKDONJSA-N 468.008 5.477 50 10 JKGE Clc1cc(Br)ccc1[C@H](Br)c1c(Cl)sc(Cl)c1Cl 1925587126 GYUPTBRGNCAPSD-QMMMGPOBSA-N 469.840 7.609 50 10 JKGE CN(CCN(Cc1ccccc1)c1ncc(Br)c(CCl)n1)Cc1ccccc1 1931965759 RGZGOEJPNWEOEG-UHFFFAOYSA-N 459.819 5.117 50 10 JKGE O=C(N[C@H](CCCCCC[C@@H]1CCSS1)C(=O)O)OCC1c2ccccc2-c2ccccc21 1951392516 GRUIXWSUZQOQBS-HOYKHHGWSA-N 485.671 6.473 50 10 JKGE O=C(Nc1c(Br)cc(Br)cc1Br)[C@H]1C[C@H](Br)C1 2020166441 FKGIAIJQPSKLJD-IZLXSQMJSA-N 490.815 5.086 50 10 JKGE COc1ccc([C@@H](Br)c2cc(Br)c(OC)s2)cc1Br 2095772380 DGHCOGNKNXDVQY-GFCCVEGCSA-N 471.008 5.775 50 10 JKGE BrC[C@@H]1C[C@H]2CCC[C@@H]2N1Cc1ccc(Br)cc1Br 2108391091 HFQFDDMBRSGPFV-DGFSRKRXSA-N 452.028 5.350 50 10 JKGE CC(C)(C)[C@@H](C[C@H](Br)c1cc(Br)ccc1Br)C(F)F 2111377275 OGOYONIMDRXKPY-JQWIXIFHSA-N 462.998 6.965 50 10 JKGE CCn1cc(Br)c(C[C@@H](CBr)c2ccccc2Br)n1 2124745889 PGBCNOHGHSRYDM-JTQLQIEISA-N 451.000 5.149 50 10 JKGE Cc1c(Br)ccc([C@@H](Br)C2CC(C3CCC3)C2)c1Br 2138854622 UFGNZMGQHMBHDQ-PPUFBPAQSA-N 451.040 6.782 50 10 JKGE Cc1cc(F)cc([C@H](Br)c2ccc(Br)c(C)c2Br)c1 2138876015 LLRCRKFHEJQIRF-HNNXBMFYSA-N 450.971 6.452 50 10 JKGE COc1ccc(F)cc1[C@@H](Cl)c1ccc(Br)cc1I 2142289133 XFSCGBZQVIPMAK-AWEZNQCLSA-N 455.492 5.530 50 10 JKGE O=C1NCCc2ccc([C@@H](Br)c3csc(Br)c3Br)cc21 2150342180 RPXPPIYYBKAVEL-LLVKDONJSA-N 480.019 5.043 50 10 JKGE Clc1ccc(I)c(CC[C@H](Br)CN2CCCCCC2)c1 2155645661 YEDGZFJXZGLGIX-AWEZNQCLSA-N 470.620 5.517 50 10 JKGE Cc1cc(Br)c([C@H](Br)[C@@H]2CC3(CCCC3)CO2)cc1Br 2166267622 QPAUXNKYXGJHJY-GJZGRUSLSA-N 467.039 6.305 50 10 JKGE Fc1c(C[C@@H](CBr)c2ccccc2Br)ccc(Cl)c1Br 2166823527 ODLWJNZTZLCDTC-JTQLQIEISA-N 485.416 6.725 50 10 JKGE Clc1ccc(Br)cc1C[C@H](CBr)Cc1cccc(Br)c1 2166829508 CVDNGIWVXATMQQ-GFCCVEGCSA-N 481.453 6.661 50 10 JKGE Fc1ccccc1C(CBr)(CBr)Cc1snc(Cl)c1Cl 2167231944 PZSSYSKOPHJPEB-UHFFFAOYSA-N 462.009 5.859 50 10 JKGE C[C@@H]1CN(C(=O)c2c(Br)cccc2Br)CC[C@H]1CCBr 2172469845 ZFDAKIJBMWYLOY-GHMZBOCLSA-N 468.027 5.095 50 10 JKGE Cc1cc(Br)c(CBr)c(N2CCc3cc(Br)ccc32)c1 2173443330 CJRVPRAQAZONPF-UHFFFAOYSA-N 460.007 6.109 50 10 JKGE Cc1cc(Br)c(CBr)c(N2[C@H]3CCC[C@H]2CN(Cc2ccccc2)CC3)c1 2173452092 YTUYCCKCZDFGJK-PMACEKPBSA-N 492.299 6.286 50 10 JKGE CCc1cc([C@H](Br)c2cccc(Br)c2Br)c(F)cc1F 2175394030 IZHLXKBIHFWCBV-CQSZACIVSA-N 468.961 6.537 50 10 JKGE BrCC(CBr)(CC12CCC(CC1)C2)c1ccc(Br)cc1 2184968129 XPQUKJAJQZYQFH-UHFFFAOYSA-N 465.067 6.447 50 10 JKGE COc1cc(Br)c(C)cc1[C@@H](Br)c1c(Br)nn(C)c1C 2188141450 LVJBWQPBLXBONP-CYBMUJFWSA-N 466.999 5.055 50 10 JKGE COc1cc(C)c([C@@H](Cl)c2cccc(F)c2I)cc1Br 2198735754 WNBYSOIMNPGHLU-AWEZNQCLSA-N 469.519 5.838 50 10 JKGE CCc1ccccc1[C@@H](Br)c1c(C)c(Br)cc(C)c1Br 2201075924 WVAOFLFVFXSMHE-QGZVFWFLSA-N 461.035 6.875 50 10 JKGE COc1c(Cl)cc(Br)cc1[C@@H](Cl)c1cc(Cl)cc(Br)c1 2202995667 BTFCZAJEXQECOH-ZDUSSCGKSA-N 459.392 6.855 50 10 JKGE Cc1cc(Br)c(CBr)c(OCc2cc(F)ccc2Br)c1 2206265493 KLBXQPWQCYLZNN-UHFFFAOYSA-N 466.970 6.133 50 10 JKGE COc1c(C)cc(Br)cc1[C@H](Cl)c1cc(I)ccc1F 2206581157 VNJHIVNXPJTKFW-CQSZACIVSA-N 469.519 5.838 50 10 JKGE Cc1nsc(Br)c1[C@@H](Cl)c1cc(Br)c(Br)cc1F 2218596568 GNNHAVJQTPVXSE-JTQLQIEISA-N 478.406 6.206 50 10 JKGE Cc1sc([C@@H](Br)[C@H](C)c2ccncc2Br)cc1Br 2218971900 ONVRTUYDTNABEN-UHLUBPPHSA-N 454.025 6.216 50 10 JKGE Cc1cc([C@@H](Br)c2cc(Cl)c(Br)s2)cc(C)c1Br 2220200520 TYOBVUOPLQGWIY-GFCCVEGCSA-N 473.455 7.028 50 10 JKGE Cc1sc([C@H](Br)c2scc(C(F)(F)F)c2Br)cc1Br 2226082030 KBTVUPZHZPTQHK-VIFPVBQESA-N 499.009 7.146 50 10 JKGE COc1cc(F)c(Br)cc1[C@@H](Br)c1cc(Br)c(C)s1 2226082888 VFKPTFIDDJEDIT-CYBMUJFWSA-N 472.999 6.214 50 10 JKGE Cc1cc(Br)c([C@@H](Cl)c2cc(Cl)sc2Cl)c(C)c1Br 2227347966 LEHGHPPJILVHHS-LBPRGKRZSA-N 463.449 7.525 50 10 JKGE Cc1cc([C@@H](Br)c2ccc3c(c2Br)CCO3)sc1Br 2229740771 BWSQUVKQZQWOHH-ZDUSSCGKSA-N 467.020 6.001 50 10 JKGE Cc1ccc([C@H](Br)c2c(Br)sc(Br)c2Cl)c(F)c1F 2231140582 OSLBLERBBADKHK-ZETCQYMHSA-N 495.408 6.997 50 10 JKGE Fc1cc(Br)c(Br)cc1[C@H](Br)[C@H]1C(F)(F)C12CCCC2 2233981850 NWQQLSFAANELAV-NWDGAFQWSA-N 476.956 6.612 50 10 JKGE CC12CC([C@@H](Br)c3cc(Br)c(Br)cc3F)(C1)C(C)(C)O2 2233982513 WNIVOBICLBHMBP-GRTSSRMGSA-N 471.002 6.134 50 10 JKGE O=C(Nc1ccc(Cl)cc1CCl)c1cc(I)ccc1Br 2239465679 YWXVQOSHQVDIJE-UHFFFAOYSA-N 484.946 5.698 50 10 JKGE Cc1cc([C@@H](Br)c2ccc([C@H]3CCOC3)s2)ccc1I 2240437722 WIAMKTUMDAWLAA-BLLLJJGKSA-N 463.178 5.649 50 10 JKGE COc1ccc([C@H](Cl)c2cc(C)ccc2Br)cc1I 2269545222 QFUNDNYWORBFQF-HNNXBMFYSA-N 451.529 5.699 50 10 JKGE CC(C)([C@@H](Br)Cc1cc(Br)cc(Br)c1)[C@@H]1CCCO1 2277962297 FRWGVYTZTSPOML-KBPBESRZSA-N 455.028 5.723 50 10 JKGE O=C(c1cc(Br)sc1Br)N1C[C@H](Br)C[C@@H]2CCCC[C@H]21 2279518762 ZJPQHIKPXPXVJQ-IQJOONFLSA-N 486.067 5.441 50 10 JKGE COc1ccc(Br)c2c1nc([C@@H](C)Cl)n2[C@H](C)CN(C)Cc1ccccc1 2286086411 YUFGMGDQMRFMIZ-HUUCEWRRSA-N 450.808 5.800 50 10 JKGE C[C@@H](Br)CN(CCC(C)(C)C)C(=O)c1cc(Br)c(Br)s1 2288058560 FGNVQOATOKQNAA-SECBINFHSA-N 490.099 5.935 50 10 JKGE Clc1ccc(I)cc1O[C@@H]1C[C@H](Br)[C@]12CCCC21CC1 2288256239 MDWQEZUSKLLBHT-SQWLQELKSA-N 467.572 5.810 50 10 JKGE Fc1ccc([C@@H](Br)c2c(F)cc(Br)c(F)c2Br)cc1Cl 2288348562 GMFUPYWQCSWWGW-LLVKDONJSA-N 493.342 6.767 50 10 JKGE Fc1cc(Br)c(F)c(Br)c1[C@@H](Br)[C@@H]1[C@H]2CCCCC[C@H]21 2288351878 DVEHMOOQOAULLG-XNEIYDBYSA-N 472.993 6.752 50 10 JKGE COC1CC(CC[C@H](Br)c2c(F)cc(Br)c(F)c2Br)C1 2288481054 QERVXOZIRRGUBZ-HACHORDNSA-N 476.981 6.131 50 10 JKGE Fc1cc(Br)c(F)c(Br)c1[C@H](Br)[C@@H]1CCC[C@@H]1C(F)F 2288488246 GGFASBHZGMJZJI-GOZTUDAPSA-N 482.935 6.607 50 10 JKGE COc1ccc([N+](=O)[O-])cc1NC(=O)C(C#N)=Cc1ccc(OC(=O)c2cccc3ccccc23)cc1 2293152600 MWQLTYXHODJZSB-UHFFFAOYSA-N 493.475 5.521 50 10 JKGE Cc1ccc(NC(=O)C(C#N)=Cc2cc(Cl)cc(Cl)c2OCCOc2cc(C)cc(C)c2)cc1 2293320687 SPBMQOWSJSFVFD-UHFFFAOYSA-N 495.406 6.922 50 10 JKGE C=CCOc1cc(Br)c(C=C(C#N)C(=O)Nc2cccc(Cl)c2Cl)cc1OCC 2294146937 GMDVVPMKNLZXIQ-UHFFFAOYSA-N 496.188 6.265 50 10 JKGE Cc1cc(C=C(C#N)C(=O)Nc2ccc(Cl)c(Cl)c2)c(C)n1-c1sc2c(c1C#N)CCCC2 2294171877 GSCFWLSAZVEGTK-UHFFFAOYSA-N 495.435 6.759 50 10 JKGE Fc1ccc([C@H](CI)OCc2cc(Br)ccc2Cl)cc1 2295173382 KNOUBVWVQCBOOE-HNNXBMFYSA-N 469.519 5.935 50 10 JKGE COc1cc([N+](=O)[O-])ccc1NC(=O)C(C#N)=Cc1ccc(OCc2ccc(Cl)cc2)cc1 2295459598 DHHQZMVYUHHTBV-UHFFFAOYSA-N 463.877 5.381 50 10 JKGE COc1ccc([C@H](Cl)c2cc3sc(Br)cc3s2)cc1Br 2295504417 RQGYOFPBNIKSMC-AWEZNQCLSA-N 452.620 6.825 50 10 JKGE N#CC(=CNc1cccc2ccccc12)c1nc(-c2cc3cc([N+](=O)[O-])ccc3oc2=O)cs1 2295902715 XRRMKXYJPMJZGB-UHFFFAOYSA-N 466.478 5.954 50 10 JKGE N#CC(=CNc1ccc(Cl)cc1C(=O)c1ccccc1)c1nc(-c2ccc([N+](=O)[O-])cc2)cs1 2295945622 CSWKVVJEKGBOBG-UHFFFAOYSA-N 486.940 6.579 50 10 JKGE CCCCCOc1ccc(C=C(C#N)C(=O)Nc2sc3c(c2C(=O)OCC)CCCC3)cc1 2296495460 PYZASTCRWCPDDQ-UHFFFAOYSA-N 466.603 5.918 50 10 JKGE N#CC(=CNc1cc(C(F)(F)F)ccc1Cl)c1nc(-c2cccc([N+](=O)[O-])c2)cs1 2296752736 WHWCHEUHWGJNIQ-UHFFFAOYSA-N 450.829 6.367 50 10 JKGE N#CC(=Cc1ccc(-n2nc(-c3ccccc3)cc2-c2ccccc2)cc1)c1[nH][nH]c(=N)c1C#N 2296820070 ONXUTFZOWPNKRK-UHFFFAOYSA-N 453.509 5.278 50 10 JKGE Cc1cccc(NC(=O)C(C#N)=C2S[C@@H](Cc3ccc(F)cc3)C(=O)N2c2ccccc2)c1 2296834499 ZAPKLNBDKWUWRW-QHCPKHFHSA-N 457.530 5.199 50 10 JKGE Clc1cc(I)c([C@H](Br)Cc2ccccc2Cl)s1 2300953057 DYUYHOXRRATJEE-MRVPVSSYSA-N 461.977 6.338 50 10 JKGE COc1ccc(NC(=O)C(C#N)=Cc2cc(Cl)ccc2OCc2cccc3ccccc23)cc1 2313541043 NDIUVRXAVCXPCX-UHFFFAOYSA-N 468.940 6.626 50 10 JKGE N#CC(=Cc1cc(Br)ccc1OCc1ccccc1)C(=O)Nc1ccc(F)cc1 2313630762 RPZRZVOUUIUHMI-UHFFFAOYSA-N 451.295 5.713 50 10 JKGE O=C(CSCc1ccc(Cl)cc1)NN=C1C(=O)N(CC=Cc2ccccc2)c2ccccc21 2313646612 BNKOMPZZBXFFQO-UHFFFAOYSA-N 476.001 5.154 50 10 JKGE COc1cc(C=C(C#N)C(=O)Nc2cccc3ccccc23)ccc1OCc1cccc(Cl)c1 2313724618 NKSXNIKSVJJQRS-UHFFFAOYSA-N 468.940 6.626 50 10 JKGE Fc1ccc([C@@H](Cl)c2ccc(OCc3ccccc3)cc2Br)c(Br)c1 2314498112 QNDRKOCLNIVOCZ-HXUWFJFHSA-N 484.590 7.258 50 10 JKGE Cc1ccc(C)c(NC(=O)C(C#N)=Cc2c(Oc3ccc(Cl)c(C)c3)nc3c(C)cccn3c2=O)c1 2314531942 FXFKBAJRIFXLMX-UHFFFAOYSA-N 498.970 5.920 50 10 JKGE N#CC(=Cc1ccc(-c2cccc(Cl)c2Cl)o1)C(=O)Nc1cc(C(F)(F)F)ccc1Cl 2314571893 OAEPBABHYICBPX-UHFFFAOYSA-N 485.676 7.471 50 10 JKGE Cc1cccc(NC(=O)C(C#N)=C2S[C@@H](Cc3ccccc3F)C(=O)N2c2ccc(C(C)C)cc2)c1 2314591802 FJGXADPPJJPGLO-SANMLTNESA-N 499.611 6.323 50 10 JKGE CC1=C(C#N)C(=O)N(C(C)C)C(=O)C1=Cc1cn(-c2ccccc2)nc1-c1cc(C)ccc1C 2314611108 QSEDPLBIFXCQEU-UHFFFAOYSA-N 450.542 5.157 50 10 JKGE COc1cc(C=C2C(=O)N(CCc3ccccc3)C(=O)C(C#N)=C2C)ccc1OCc1ccc(F)cc1 2314616776 JMAKXNIYIBPVSV-UHFFFAOYSA-N 496.538 5.248 50 10 JKGE COc1cc([C@H](Cl)c2sc(Cl)cc2I)ccc1Br 2316766258 FELMGWHTRWDZCQ-NSHDSACASA-N 477.976 6.105 50 10 JKGE BrCC1(COc2cc(Br)cc(I)c2)CCCCC1 2316853849 XZFIAANBEDRWIY-UHFFFAOYSA-N 488.001 5.778 50 10 JKGE CO[C@]1(C(F)F)C[C@H]([C@@H](Br)c2sc(Br)cc2Br)C1 2320067554 WOZJHSBFBPKIKG-MEQXXCBNSA-N 468.983 5.769 50 10 JKGE O=C(NN=Cc1ccc(F)c(Br)c1)c1ccc(-c2ccc3ccccc3c2)s1 2325902022 PXLRSVAAVLMIPY-UHFFFAOYSA-N 453.336 6.234 50 10 JKGE CC(C)(C)OC(=O)N1CC[C@@H](C2CCC3(CC2)CC[C@@](C)(CI)O3)C1 2328002155 PGUONHWCMHKHKC-ZPDUDEBLSA-N 463.400 5.177 50 10 JKGE BrCc1cc(Br)cc(Br)c1OC[C@@H]1C[C@H]2CC[C@@H]1O2 2329963334 WHQQMMLLZFPEHJ-NDMJEZRESA-N 454.984 5.053 50 10 JKGE COc1cc(C=C(C#N)c2nc3ccc(C)cc3[nH]2)ccc1OCC(=O)Nc1ccc(C)cc1C 2331018265 DRVOHVDLPFRQPE-UHFFFAOYSA-N 466.541 5.578 50 10 JKGE COc1c(Cl)cc(Cl)cc1-c1csc(C(C#N)=C(O)C(c2ccccc2)c2ccccc2)n1 2331362531 WDIIGTMXHMKBPB-UHFFFAOYSA-N 493.415 7.750 50 10 JKGE Cc1ccc(C(C)(C)C)cc1-c1csc(C(C#N)=C(O)c2c(Cl)ccc(Cl)c2Cl)n1 2331397029 ASKLFWFXBGADPN-UHFFFAOYSA-N 477.844 8.326 50 10 JKGE COc1ccc(-c2csc(C(C#N)=Cc3ccc(OCc4ccc(C)cc4)cc3)n2)cc1C 2331429718 WHDAAAPEHVFBCY-UHFFFAOYSA-N 452.579 7.079 50 10 JKGE Cc1cc(C)c(-c2csc(C(C#N)=Cc3ccc(OCc4ccc(Cl)cc4)cc3)n2)c(C)c1 2331477286 FIEHJKQUHLZYTR-UHFFFAOYSA-N 471.025 8.032 50 10 JKGE CCOc1cc(C=C(C#N)c2nc(-c3cc(Cl)ccc3Cl)cs2)cc(Br)c1O 2331488584 HBXROERDOTZJCN-UHFFFAOYSA-N 496.213 7.048 50 10 JKGE COCc1ccccc1[C@H](Br)c1cc(Br)ccc1OCc1ccccc1 2336075760 RTRDMJPWLKQWMG-QFIPXVFZSA-N 476.208 6.659 50 10 JKGE CC[C@@](C)(C(F)F)[C@H](Br)c1c(Cl)cc(Br)c(F)c1Br 2337089017 SUEPSPNXVQVCAL-ZYHUDNBSSA-N 487.379 7.122 50 10 JKGE CCOC1CC([C@@H](Br)c2c(Cl)cc(Br)c(F)c2Br)C1 2337090160 KBNBDWMFHTYYJQ-UAAUVXIDSA-N 479.409 6.255 50 10 JKGE Fc1c(Br)cc(Cl)c([C@H](Br)CC2CCOCC2)c1Br 2337098492 QXPPCSUGFNGULV-MRVPVSSYSA-N 479.409 6.257 50 10 JKGE FC1(F)CC2(C1)C[C@]2(CBr)Cc1ccc(Cl)c(I)c1 2337226856 DOVVOYGVTJLDLZ-LBPRGKRZSA-N 461.515 5.688 50 10 JKGE CCCc1ccc([C@@H](Br)c2c(Br)c(Br)nn2C)cc1 2338722380 MGJFMEVFOULZSN-LLVKDONJSA-N 451.000 5.382 50 10 JKGE COc1cc(OC)cc([C@@H](Br)c2sc(Cl)cc2I)c1 2338774277 WMXAHSHRZOKJRL-GFCCVEGCSA-N 473.557 5.508 50 10 JKGE COc1c(Br)cc(C)c([C@H](Br)C2(C(C)C)CC2)c1Br 2339654150 PWMDOOHUONQQLF-AWEZNQCLSA-N 455.028 6.401 50 10 JKGE Cc1cc(F)c([C@H](Br)c2ccc(Cl)cc2I)cc1F 2340069330 XSHXRRUQMNXYOD-CQSZACIVSA-N 457.483 6.016 50 10 JKGE BrC[C@@H]1C[C@H]2CCC[C@H]2N1Cc1ccc(I)c(Br)c1 2349839429 HMLWYWGXTNZGNM-TYNCELHUSA-N 499.028 5.192 50 10 JKGE ClCc1cc(Cl)cc(OCc2ccc(I)c(Br)c2)c1 2350059045 UGYWKXAELWYXDS-UHFFFAOYSA-N 471.947 6.025 50 10 JKGE Fc1c(Br)cc(Cl)c([C@@H](Br)C2(CC3CCC3)CC2)c1Br 2362247067 GIODGWIYONEJRS-CQSZACIVSA-N 489.448 7.411 50 10 JKGE Cc1cc(Br)c(F)c(Br)c1[C@H](Br)C1C[C@H](C)O[C@@H](C)C1 2365189014 QJZLLDPVDHJGSK-MWODSPESSA-N 473.018 6.299 50 10 JKGE COc1c(Br)cc(C)c([C@H](Br)C[C@H]2C[C@@H](OC)C2)c1Br 2365194818 VNQZKOBGTNKQBA-OUAUKWLOSA-N 471.027 5.780 50 10 JKGE Cc1cc(Br)c(F)c(Br)c1[C@H](Br)[C@]12COC[C@@H]1C2(F)F 2365223957 SOGMDQHGSOEKII-QILRFPOHSA-N 478.928 5.377 50 10 JKGE Cl[C@@H]1Cc2ccccc2[C@H]1NCc1ccc(I)c(Br)c1 2377313697 DLFSBYLZYBSWKU-GDBMZVCRSA-N 462.556 5.048 50 10 JKGE Clc1ccc(I)cc1CO[C@@H](CBr)c1ccccc1Cl 2380353183 IFLYANHLZZAABM-HNNXBMFYSA-N 485.974 6.251 50 10 JKGE Cc1cc(Cl)c([C@@H](Br)c2cc3sc(Br)cc3s2)c(Cl)c1 2381303540 WENJCYNZLXTELK-AWEZNQCLSA-N 471.066 7.825 50 10 JKGE CC(C)(C)Oc1ccc([C@H](Br)c2ccc(Br)o2)cc1Br 2381323571 RSDVUAHCVAXJRL-AWEZNQCLSA-N 466.995 6.466 50 10 JKGE CCCCCC[C@H](C)Oc1ccc(C(=O)NNC(=O)c2ccc(O[C@H](C)CCCCCC)cc2)cc1 22022786 OSCKRLIEMDNOKQ-PSWAGMNNSA-N 496.692 7.237 50 10 JKGE CC1=C(C#N)C(=O)N(Cc2ccc(C)cc2)C(=O)/C1=C/c1ccc(OCc2ccc(C)cc2)cc1 38608464 LQVWAVZKMLCNSS-JVWAILMASA-N 462.549 5.675 50 10 JKGE O=C(CCCc1c(-c2ccccn2)[nH]c2ccc(Cl)cc12)NNC(=O)c1ccccc1Cl 39852756 VUUPUEDFWBCYFW-UHFFFAOYSA-N 467.356 5.321 50 10 JKGE Cc1c(C(=O)Nc2ccc(Cl)cc2)oc2c1/C(=N/NC(=O)c1ccc(Cl)cc1Cl)CCC2 40813731 ZGAXEWYAPAIURZ-MTDXEUNCSA-N 490.774 6.271 50 10 JKGE Cc1c(C(=O)Nc2cccc(C(F)(F)F)c2)oc2c1/C(=N/NC(=O)COc1ccccc1)CCC2 40816145 LJJHOJHHBPZJFX-NDZAJKAJSA-N 485.462 5.095 50 10 JKGE CCOc1cc(/C=C(\C#N)C(=O)NCc2ccco2)ccc1OC(=O)c1ccc(C(C)(C)C)cc1 40926044 AYZPZDXGGLDHPZ-RCCKNPSSSA-N 472.541 5.418 50 10 JKGE CCOc1cc(/C=N\NC(=O)CC[C@H](O)c2ccccc2)cc(Cl)c1OCc1ccccc1C#N 58891415 HGMAJQXIRNMTRR-BXYKZGNCSA-N 491.975 5.153 50 10 JKGE C[C@@H](Cl)c1nc2cc(I)ccc2n1-c1ccc(Br)cc1 97353895 DKWNNZGAQPYVGJ-SECBINFHSA-N 461.528 5.692 50 10 JKGE COc1cc(N/C=C(/C#N)c2nc(-c3ccc(Cl)c(Cl)c3)cs2)cc(OC)c1OC 102418752 HSXLAEZKXMDPJY-RAXLEYEMSA-N 462.358 6.119 50 10 JKGE COc1ccc(Br)c(COc2ccc(CBr)cc2Br)c1 115758196 JNWRKXSQSOXUNU-UHFFFAOYSA-N 464.979 5.694 50 10 JKGE Brc1cc([C@H](Br)c2ccc3c(c2)CCC3)sc1Br 128237429 BZQBDKRAWOFJDB-CYBMUJFWSA-N 451.021 6.246 50 10 JKGE CCCCC1CCC([C@H](Br)c2cc(Br)c(Br)s2)CC1 128246890 SSSSXXRWLHMBLM-MGULZYLOSA-N 473.112 7.706 50 10 JKGE Fc1cccc(C[C@@H](CBr)c2ccc(Br)cc2)c1Br 157909187 NGFFDNXXNQBPEJ-LBPRGKRZSA-N 450.971 6.072 50 10 JKGE CCOc1ccc(Br)cc1[C@@H](Br)c1ccc(Br)cc1OC 160778878 OSRCAJSSERTRFR-INIZCTEOSA-N 479.006 6.103 50 10 JKGE Cc1ccc(Cl)cc1N/C=C(/C#N)C(=O)Nc1ccc(I)cc1C 217253849 BDYWJMWTHVEFJN-RAXLEYEMSA-N 451.695 5.020 50 10 JKGE Cc1sc([C@H](Br)c2ccc3cc(Br)ccc3c2)cc1Br 227836763 WBMSMRLSLIFACG-MRXNPFEDSA-N 475.043 7.219 50 10 JKGE CC(C)(C)c1ccc([C@@H](Cl)c2cc(Br)ccc2I)cc1 232562607 OIPURILBHFZAEO-MRXNPFEDSA-N 463.584 6.679 50 10 JKGE Cc1cc(Br)c([C@@H](Br)c2ccc(Cl)c(Br)c2)s1 235812422 JUCUGVAJWKFREO-NSHDSACASA-N 459.428 6.719 50 10 JKGE Clc1sc([C@H](Cl)c2cc(Br)cc(Br)c2)cc1Br 236038310 QPYMBUQLFQKRTI-SNVBAGLBSA-N 479.846 7.017 50 10 JKGE FC(F)(F)C([C@H](Br)c1cc(Br)ccc1Br)C(F)(F)F 236098016 VRGWTKBDKDGCAU-SSDOTTSWSA-N 478.850 6.388 50 10 JKGE O=[N+]([O-])c1ccc(C[C@@H](Br)c2ccc(F)cc2I)cc1 236240755 BIRWEZNSQUCUKW-CYBMUJFWSA-N 450.045 5.017 50 10 JKGE O=C(NN=C/C=C/c1ccccc1[N+](=O)[O-])c1ccc(N/N=C/C=C\c2ccccc2[N+](=O)[O-])cc1 245266570 KCZGNBGUQIFWTD-OHSUJLBNSA-N 484.472 5.043 50 10 JKGE O=C(NN=Cc1ccc(OS(=O)(=O)c2ccc3ccccc3c2)cc1)c1cccc2ccccc12 254617266 KZCSAVVJPGJCMU-UHFFFAOYSA-N 480.545 5.525 50 10 JKGE CCOc1ccc([C@@H](Cl)c2sccc2I)cc1Br 311232796 RQSCYLIQVKIYIP-GFCCVEGCSA-N 457.558 5.842 50 10 JKGE CSc1ccc([C@H](Br)c2cc(I)cc3c2OCC3)cc1 312338636 KKVMEMSREPCDQX-HNNXBMFYSA-N 461.162 5.432 50 10 JKGE COc1c(Br)cc(Cl)cc1[C@H](Br)c1c(C)cccc1Br 312881608 VJESQLWBSRQMHO-AWEZNQCLSA-N 483.425 6.666 50 10 JKGE CC(C)(C)OC(=O)Nc1ccccc1[C@@H]1CCc2ccccc2N1CCO[Si](C)(C)C(C)(C)C 616595173 VORYKJYCEQJAEF-VWLOTQADSA-N 482.741 7.549 50 10 JKGE C[C@H](Cl)c1nc2cc(I)ccc2n1CC1(CCOCc2ccccc2)CC1 702201927 WBYQFRSQBYBPKQ-INIZCTEOSA-N 494.804 6.328 50 10 JKGE Cc1ccc(NC(=O)/C(C#N)=C/c2cc(C)n(-c3ccc(OCc4ccccc4C#N)cc3)c2C)cc1 1084023721 SRIZPPNIPIGJEZ-WPWMEQJKSA-N 486.575 6.399 50 10 JKGE CCOc1ccc(C=NNC(=O)CSc2c(Cl)c(Cl)c(Cl)c(Cl)c2Cl)cc1 1084303251 NZSOLQVUAJWPSV-UHFFFAOYSA-N 486.635 6.595 50 10 JKGE Nc1cc(C(F)(F)F)ccc1[C@H]1CN(C(=O)OCc2ccccc2)C[C@H]1CBr 1614644171 ZSNYCPSWCMEHCE-PBHICJAKSA-N 457.290 5.035 50 10 JKGE Cc1ccccc1C(=O)NN=C1CCCc2oc(C(=O)Nc3ccc(Oc4ccccc4)cc3)c(C)c21 1772744326 VQZWELYYTAASMM-UHFFFAOYSA-N 493.563 6.411 50 10 JKGE COc1cc(C=NNC(=O)COc2cccc(C(C)C)c2)ccc1OCc1ccc(Cl)cc1 1772753205 BXELAKLTAGFCAF-UHFFFAOYSA-N 466.965 5.580 50 10 JKGE O=C(CSc1nc(-c2ccccc2)cs1)NN=Cc1ccccc1OCc1ccccc1Cl 1772755194 TZWRLMALMBGDIJ-UHFFFAOYSA-N 494.041 6.285 50 10 JKGE CSc1ccc2c(c1)N(CC[C@@H]1CCCCN1C(=O)O[C@H](C)Cl)c1ccccc1S2 1848437285 DNTNLZCGUXXZRG-SJORKVTESA-N 463.068 6.977 50 10 JKGE C[C@H](Br)C(=O)Nc1ccc(Oc2ccc(NC(=O)[C@H]3CCCC[C@H]3C(=O)O)cc2)cc1 1859504713 FDBCTGNKHLIUEW-PNHOKKKMSA-N 489.366 5.030 50 10 JKGE CCOc1cccc([C@@H]2C(C#N)=C(N)Oc3c2c(C(F)(F)F)nn3-c2ccc(Cl)cc2)c1 1865689527 BHCHRFHBHNPJDB-QGZVFWFLSA-N 460.843 5.161 50 10 JKGE CCCCCOc1ccc([C@H]2C(C#N)=C(N)Oc3c2c(CCC)nn3-c2cccc(Cl)c2)cc1 1865690152 JZIXLSQJWKYWKC-DEOSSOPVSA-N 477.008 6.265 50 10 JKGE CCCOc1ccc([C@H]2C(C#N)=C(N)Oc3c2c(CCC)nn3Cc2ccccc2F)cc1OCC 1865691661 XYNJMMCTAZVUML-VWLOTQADSA-N 490.579 5.429 50 10 JKGE COc1ccc(-c2nn(-c3ccc(C)cc3)c3c2[C@H](c2cccc(F)c2)C(C#N)=C(N)O3)cc1 1865710996 NHWGNTFYYVKOEJ-HSZRJFAPSA-N 452.489 5.214 50 10 JKGE N#CC1=C(N)Oc2c(c(-c3ccccc3)nn2Cc2ccccc2Cl)[C@@H]1c1ccc([N+](=O)[O-])cc1 1865712628 DFNHLCNEAAFHPK-JOCHJYFZSA-N 483.915 5.378 50 10 JKGE CCOC(=O)c1c(-c2ccc(C)c(C)c2)csc1NC(=O)/C(C#N)=C/c1ccc(OC)c(OC)c1 1866130526 ZKIPALKZMFXDDS-UDWIEESQSA-N 490.581 5.772 50 10 JKGE CCCC[C@@H](NC(=O)Cc1nc(-c2ccc(F)cc2)oc1C)C(=O)Nc1ccc(SC#N)cc1 1866660359 SBHDSCZHCQPODO-OAQYLSRUSA-N 480.565 5.219 50 10 JKGE CCc1ccc(/C(C)=C/C(=O)N[C@H](Cc2ccc(O)cc2)C(=O)Nc2ccc(SC#N)cc2)cc1 1866682756 NDUVMCYOWAOPMB-IWCMWKPHSA-N 485.609 5.297 50 10 JKGE N#CSc1ccc(NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@H](c2ccc(Cl)cc2)C2CC2)cc1 1867002468 ZZIOGXZCAGYTQK-RPBOFIJWSA-N 490.028 5.773 50 10 JKGE COc1cccc([C@@H](C)CC(=O)N[C@H](Cc2ccccc2)C(=O)Nc2ccc(SC#N)cc2)c1 1867110686 KFSDZTXELZJCOH-UQBPGWFLSA-N 473.598 5.128 50 10 JKGE O=C1/C(=C/c2ccccc2Br)Oc2cc(OCc3ccc(CCl)cc3)ccc21 1871436864 UCUOHHNCNSUGRZ-JJFYIABZSA-N 455.735 6.383 50 10 JKGE CCCCc1ccc(-c2csc(/C(C#N)=C(\O)CCCOc3ccc(Cl)cc3Cl)n2)cc1 1872744824 JQKPJFMVYJSEQX-ATJXCDBQSA-N 487.452 8.111 50 10 JKGE CCOc1ccc(-c2csc(/C(C#N)=C(\O)CCCOc3cc(C)c(Cl)c(C)c3)n2)cc1 1872747924 ZDNUQUFEOORCHE-LNVKXUELSA-N 469.006 7.131 50 10 JKGE N#C/C(=C(/O)c1ccc2c(c1)C(=O)N(CCc1ccccc1)C2=O)c1nc(-c2ccccc2)cs1 1872748091 IENIJHDNFNDZDM-BZZOAKBMSA-N 477.545 5.599 50 10 JKGE CCCOc1ccc(-c2csc(/C(C#N)=C(\O)c3ccc4c(c3)C(=O)N([C@@H](C)CC)C4=O)n2)cc1 1872749376 OONDINPQEBTCCZ-DYYXWGBJSA-N 487.581 5.943 50 10 JKGE CCOc1ccccc1OC/C(O)=C(\C#N)c1nc(-c2cc(Cl)c(OC)c(Cl)c2)cs1 1872755779 FMVMFJGFLVLHBJ-JXAWBTAJSA-N 477.369 6.396 50 10 JKGE COc1cc(C)c(-c2csc(/C(C#N)=C(O)/C=C/c3ccc(OC(C)=O)c(OC)c3)n2)cc1C 1872757996 GOUHDMNHIOWQFK-YHZASVFKSA-N 476.554 5.876 50 10 JKGE N#C/C(=C\c1ccc(OC(=O)c2ccccc2)cc1)c1nc(-c2cccc(Br)c2)cs1 1872784289 IOFYXGPVWXJIMR-DEDYPNTBSA-N 487.378 6.856 50 10 JKGE CCCCCCCOc1ccc(-c2csc(/C(C#N)=C/c3cccc(OC)c3OC)n2)cc1 1872791396 HNXSMFPVPIQAQA-OQKWZONESA-N 462.615 7.241 50 10 JKGE O=S(=O)(c1cccc(C(F)(F)F)c1)N(Cc1ccccc1)C1(CBr)CCC1 1915755080 IKDZJTKQPMOMAJ-UHFFFAOYSA-N 462.331 5.214 50 10 JKGE FC(F)(F)c1ccccc1[C@H](Br)c1sc(Br)cc1Br 1922953782 HOQGVJBSYLHEDC-JTQLQIEISA-N 478.953 6.776 50 10 JKGE Clc1c(Br)sc(Br)c1[C@H](Cl)c1ccc2ccccc2c1 1923065309 AWEJUQWNQQYOMV-GFCCVEGCSA-N 451.010 7.408 50 10 JKGE C[C@@H]1CCO[C@@H]1[C@H](Br)c1c(Br)sc(Br)c1Cl 1923073666 ZFGZLGKVDLJCEC-DVZGVGDCSA-N 453.421 5.788 50 10 JKGE C[C@@H](c1ccncc1Br)[C@H](Br)c1cc(Br)ccc1F 1924042287 ZKRQIXXZWPZBEE-RTHLEPHNSA-N 451.959 5.985 50 10 JKGE Cc1c(Br)sc([C@H](Br)[C@@]23CCC[C@@H](C2)OC3)c1Br 1925061417 LNXHXJDHHFRNPR-QWRKXWFKSA-N 459.041 5.977 50 10 JKGE Cc1cc(Br)sc1[C@H](Cl)c1cccc(Br)c1Br 1950215073 MQHUHAIASMGXDZ-LLVKDONJSA-N 459.428 6.672 50 10 JKGE Clc1nc(Cl)n(-c2ccc(Br)c(Br)c2)c1CBr 2013271883 WQTDYKFEFOMPOF-UHFFFAOYSA-N 463.782 5.599 50 10 JKGE C[C@@H]1OC2(C)CC1([C@@H](Cl)c1c(Br)sc(Br)c1Br)C2 2038996109 HXFJFQMCWBZIOP-ZISPUGJISA-N 479.459 6.273 50 10 JKGE FC12CCC([C@@H](Cl)c3c(Br)sc(Br)c3Br)(CC1)C2 2039756415 TVVUROPQIWRCSA-RKWZHAFESA-N 481.450 6.988 50 10 JKGE Cn1cc([C@@H](Br)c2cc(Br)c(Cl)cc2F)c(Br)n1 2052977897 ZPWXOVOJZGHYAD-JTQLQIEISA-N 461.354 5.222 50 10 JKGE Fc1cccc(I)c1Cn1nc(C2CCCC2)cc1CBr 2070077589 VEPWXQHKCBUGAN-UHFFFAOYSA-N 463.132 5.228 50 10 JKGE CN(C[C@@H]1C[C@@H]1Br)[C@H](CN)c1ccc(OCc2ccccc2)c(OCc2ccccc2)c1 2076237689 XUDLOFJEIDAXER-CCDWMCETSA-N 495.461 5.560 50 10 JKGE CN(C(=O)c1cc(Br)c(Br)s1)C1(CCBr)CCC1 2085080618 JAQHNNIIDNRGQK-UHFFFAOYSA-N 460.029 5.053 50 10 JKGE COc1ccc([C@H](Br)Cc2ccccc2I)c(Cl)c1 2087564783 VVDDXSKAPJBXPS-CYBMUJFWSA-N 451.529 5.632 50 10 JKGE C[C@@H]1CCCN(Cc2c(Br)cccc2Br)[C@H]1CCBr 2094088484 LPSHOLVJZCYITQ-ABAIWWIYSA-N 454.044 5.597 50 10 JKGE Fc1ccc(Br)c([C@@H](Br)c2cc(C3CC3)c(Br)s2)c1 2094673405 KSYPJUKSSQFMKX-CYBMUJFWSA-N 469.011 6.774 50 10 JKGE CC(C)(C)OC(=O)N1CCC(CI)(OC[C@H]2C[C@@H]2c2ccccc2)CC1 2135990711 PNRGIRFNLIJARC-QZTJIDSGSA-N 471.379 5.011 50 10 JKGE Cc1cc(Br)c(C)c([C@H](Br)C(F)(F)C(F)(F)F)c1Br 2136380498 VAIMKBJMJYRGSK-VIFPVBQESA-N 474.887 6.462 50 10 JKGE O=C(c1csc(Br)c1Br)N1CCCC[C@@H]1CCCBr 2141708731 QNBYASSYPCDXRD-SECBINFHSA-N 474.056 5.443 50 10 JKGE Clc1cc(CN2C[C@@H](Br)CC3(CCC3)C2)ccc1I 2142949641 LKEKCFDBOIHNES-LBPRGKRZSA-N 454.577 5.084 50 10 JKGE Clc1csc([C@@H](Br)c2ccc(Br)c3ccccc23)c1Cl 2152523912 RNONDLPZFJJIPR-ZDUSSCGKSA-N 451.010 7.455 50 10 JKGE Clc1c(Br)sc(Br)c1[C@H](Cl)[C@@H]1C[C@H]2CCCCCC[C@H]21 2166117501 FHXFKUIACALXPK-DNRKLUKYSA-N 461.090 7.813 50 10 JKGE CC1(C)C[C@H](CBr)CN(C(=O)c2cccc(Br)c2Br)C1 2172576442 AHGNRXQOSXTLNY-SNVBAGLBSA-N 468.027 5.095 50 10 JKGE FC(F)(F)c1ccc(-n2c(Cl)nc(Cl)c2CBr)c(Br)c1 2177732127 QMYZJDGMSXJDMC-UHFFFAOYSA-N 452.883 5.855 50 10 JKGE Cc1cc(Br)c(C)c([C@@H](Br)[C@H]2CCCS(=O)(=O)C2)c1Br 2201063242 CLWADDQMBYAAAL-HZMBPMFUSA-N 489.067 5.089 50 10 JKGE Cc1cc(Br)c(C)c([C@H](Br)[C@]23CCC[C@H]2OCC3)c1Br 2201064360 XSYNKDIWVUJMBG-KCXAZCMYSA-N 467.039 6.224 50 10 JKGE COc1ccc([C@H](Br)c2cc(Br)ccc2Cl)c(Cl)c1Cl 2203433516 PWHUSKYQISYFOY-LBPRGKRZSA-N 459.392 6.902 50 10 JKGE Brc1ccc([C@H](Br)[C@@H]2COc3ccccc3O2)c(Br)c1 2203684445 HCHYHQUFGXZLCB-GJZGRUSLSA-N 462.963 5.488 50 10 JKGE BrCCC#Cc1sc(Br)c(Br)c1Br 2209349358 OGSQEDBPKSERNJ-UHFFFAOYSA-N 451.803 5.172 50 10 JKGE Cc1cc(Br)c([C@H](Br)[C@H](C)c2ccncc2Br)s1 2221822970 FNXAQWBJHDPGGW-PRHODGIISA-N 454.025 6.216 50 10 JKGE CCc1nn(C)c([C@@H](Br)c2cc(Br)c(Br)s2)c1Cl 2224019957 FDNLFPWEOYIVOB-QMMMGPOBSA-N 477.447 5.707 50 10 JKGE COc1cc(C)ccc1[C@@H](Cl)c1c(Br)sc(Br)c1Br 2225620286 SQQLDWUIGFWCQC-LLVKDONJSA-N 489.454 6.681 50 10 JKGE Cc1cc(Br)c([C@H](Br)[C@@H]2CC3(CC3)CO2)c(C)c1Br 2227351868 OBTFXRJIUSKTQK-SMDDNHRTSA-N 453.012 5.834 50 10 JKGE Cc1cc(Br)c([C@H](Br)[C@@H]2OC[C@@H]3CCCC[C@@H]32)cc1Br 2233190176 RZVAPGRTJDLXGO-KUDNYVPYSA-N 467.039 6.161 50 10 JKGE Cc1ccc([C@@H](Br)Cc2ccc(Br)cc2Cl)c(C)c1Br 2237456118 RPHLWOAWIUUJNV-AWEZNQCLSA-N 481.453 7.161 50 10 JKGE Cc1ccc(I)c([C@H](Cl)c2c(Br)cc(C)c(Cl)c2C)c1 2240999372 ANBFZYMGMRYNOB-INIZCTEOSA-N 484.002 6.961 50 10 JKGE COc1c([C@@H](Br)c2ccc(Br)cc2Br)csc1Cl 2256862078 WHZRMTBZMSMHRG-JTQLQIEISA-N 475.427 6.419 50 10 JKGE Cc1cc(Cl)c(Cl)cc1[C@@H](Br)c1ccc(F)cc1I 2264359189 GTUVYIKDRHHRAA-AWEZNQCLSA-N 473.938 6.530 50 10 JKGE CCOc1ccc([C@H](Br)c2scc(Br)c2Cl)c(Br)c1 2264587009 AAFPRBUEBDUOGG-NSHDSACASA-N 489.454 6.810 50 10 JKGE COc1ccc([C@@H](Br)c2c(F)cccc2Cl)cc1I 2269539971 FWHYEGSCJRGEOM-CQSZACIVSA-N 455.492 5.577 50 10 JKGE COCCCCCCOc1c(Br)cc(CBr)cc1Br 2271863507 ODUHKEQKGJUTMH-UHFFFAOYSA-N 459.016 5.692 50 10 JKGE Cc1c(Br)sc([C@@H](Br)c2cc(Br)cc(C(C)C)c2)c1C 2280677713 VJUJYLBYLCZOSW-AWEZNQCLSA-N 481.091 7.498 50 10 JKGE Fc1cc(F)c([C@H](Br)c2cccc(Cl)c2Br)c(F)c1Br 2283193113 GBKOZRXOVUTQGW-LLVKDONJSA-N 493.342 6.767 50 10 JKGE Fc1cc(F)c([C@@H](Br)c2cccc(Cl)c2Br)c(F)c1Br 2283193114 GBKOZRXOVUTQGW-NSHDSACASA-N 493.342 6.767 50 10 JKGE Cc1c(Br)cccc1COc1c(CBr)ccc(Br)c1Cl 2283671119 XBWQAPHFKFPSFE-UHFFFAOYSA-N 483.425 6.647 50 10 JKGE COc1ccc([C@@H](Br)c2csc(Br)c2Br)c2c1CCC2 2284520697 HQWKBDOAIBVREH-CYBMUJFWSA-N 481.047 6.255 50 10 JKGE COc1ccc([C@H](Br)c2cc3ccccc3s2)cc1I 2285014971 WCMNIUGRRLVNCF-INIZCTEOSA-N 459.146 5.999 50 10 JKGE C=CC[C@]1(CBr)CCCN(Cc2ccc(I)c(Cl)c2)C1 2287719308 WQPBWZILFDVZII-MRXNPFEDSA-N 468.604 5.498 50 10 JKGE COc1cccc([C@H](Br)c2c(F)cc(Br)c(F)c2Br)c1 2288374699 WMDJAEQTKZDNQI-LBPRGKRZSA-N 470.933 5.983 50 10 JKGE COc1c(C)cc(C)cc1[C@@H](Br)c1ccc(I)c(Cl)c1 2295301617 NYIAQYVCMPFEDI-HNNXBMFYSA-N 465.556 6.054 50 10 JKGE COc1cc(C=C(C#N)c2nc(-c3ccc(Cl)cc3)cs2)ccc1OCc1nc2ccccc2[nH]1 2296837791 BNCDHPOSCWCYJJ-UHFFFAOYSA-N 498.995 6.992 50 10 JKGE N#CC(=Cc1c(OCc2ccc(Cl)cc2Cl)ccc2ccccc12)C(=O)Nc1ccc(O)cc1 2297533954 KGNVUJVKEXRDEN-UHFFFAOYSA-N 489.358 6.977 50 10 JKGE Cn1ncc(Br)c1[C@@H](Cl)c1ccc(OCc2ccccc2)cc1Br 2299503023 BKAPGKVUNKAMGT-KRWDZBQOSA-N 470.592 5.852 50 10 JKGE CCC[C@H](C)[C@H](Br)c1c(Cl)cc(Br)c(F)c1Br 2300172442 QTQKRVIWOZIFLM-WKEGUHRASA-N 451.399 6.876 50 10 JKGE C[C@H](CCBr)CCOCc1ccc(I)c(Br)c1 2306307096 MCEKOKXWEDOXFE-SNVBAGLBSA-N 475.990 5.382 50 10 JKGE CCOC(=O)c1c(-n2c(C)cc(C=C(C#N)C(=O)NCc3cccs3)c2C)sc2c1CCCC2 2313540825 WRONNJOQCFKGLZ-UHFFFAOYSA-N 493.654 5.496 50 10 JKGE CCOc1cc(C=C(C#N)C(=O)N(C)C)cc(Cl)c1OCc1ccc(Cl)c(Cl)c1 2313567837 LXZXSYJLVQOBDE-UHFFFAOYSA-N 453.753 5.620 50 10 JKGE CCOc1cc(C=C(C#N)C(=O)N(C)C)cc(Br)c1OCc1ccc(Cl)cc1 2313568517 UCWCWEQUKSNFQT-UHFFFAOYSA-N 463.759 5.075 50 10 JKGE Cc1ccc(COc2ccc(Cl)cc2C=C(C#N)C(=O)Nc2cc(Cl)ccc2C)cc1 2313675881 ZIKKVOUDTHNWKL-UHFFFAOYSA-N 451.353 6.735 50 10 JKGE Brc1ccc(OCc2ccccc2)c([C@H](Br)[C@@H]2[C@H]3CCCCC[C@H]32)c1 2314452834 QUBFPBITECVACY-KKXYHZGYSA-N 464.241 7.290 50 10 JKGE Cc1cccn2c(=O)c(C=C(C#N)C(=O)Nc3ccc(Cl)cc3)c(Oc3ccccc3Cl)nc12 2314533671 SXFLCQCHKUJVMT-UHFFFAOYSA-N 491.334 5.648 50 10 JKGE CCOc1ccc(N(C(=O)C(C#N)=Cc2ccc(OC)cc2)S(=O)(=O)c2ccc(Cl)cc2)cc1 2314777505 IAHHPBZYYBTRFK-UHFFFAOYSA-N 496.972 5.076 50 10 JKGE Fc1c(Br)cc(Cl)c([C@H](Br)C2[C@H]3CCC[C@H]23)c1Br 2315448427 AABAAMFLJJNZTN-ZJXQECPTSA-N 461.394 6.486 50 10 JKGE COc1ccc([C@@H](Br)c2sc(Cl)cc2I)c(Cl)c1 2316777203 KVGJEMOVJWFQIZ-LLVKDONJSA-N 477.976 6.152 50 10 JKGE BrC[C@@H](COCc1cc(I)ccc1Br)CC1CC1 2318983282 VPZFGGNOAZRSNT-NSHDSACASA-N 488.001 5.382 50 10 JKGE Cc1cc(C)c(NC(=O)C(C#N)=CN2CCN(C(c3ccccc3)c3ccccc3)CC2)c(C)c1 2325176805 MNYUCTMNGGPISR-UHFFFAOYSA-N 464.613 5.365 50 10 JKGE Fc1cc([C@@H](Cl)c2cc(Br)c(Br)s2)c(Cl)cc1Cl 2326684960 HVQADDQCEPUZBC-SNVBAGLBSA-N 453.385 7.047 50 10 JKGE COc1ccc(OC)c(C=CC(O)=C(C#N)c2nc(-c3ccc(OC)c(OC)c3)cs2)c1 2331242553 NNIQZNFNQHSNIH-UHFFFAOYSA-N 450.516 5.351 50 10 JKGE CCCCc1ccc(-c2csc(C(C#N)=C(O)c3ccc4c(c3)C(=O)N([C@H](C)CC)C4=O)n2)cc1 2331255861 CIOFFSCPMFAWAZ-QGZVFWFLSA-N 485.609 6.497 50 10 JKGE Cc1cc(OCCCC(O)=C(C#N)c2nc(-c3ccc(C(C)(C)C)cc3)cs2)cc(C)c1Cl 2331332021 WQPOMOMFHJCYET-UHFFFAOYSA-N 481.061 8.030 50 10 JKGE COc1cc(-c2csc(C(C#N)=C(O)CCCOc3ccc(Cl)cc3)n2)c(OC)cc1Cl 2331376910 IYXMNBUYALMUDD-UHFFFAOYSA-N 491.396 6.786 50 10 JKGE Cc1ccc(-c2csc(C(C#N)=C(O)CCCN3C(=O)c4cccc([N+](=O)[O-])c4C3=O)n2)cc1C 2331385363 WYYJTHKILPTFJQ-UHFFFAOYSA-N 488.525 5.204 50 10 JKGE COc1ccc(Cl)cc1-c1csc(C(C#N)=C(O)[C@@H]2CC(=O)N([C@@H](C)c3ccccc3)C2)n1 2331410847 KSSMUMMATGIJLR-DOTOQJQBSA-N 479.989 5.874 50 10 JKGE N#CC(=Cc1ccccc1OCc1ccccc1Cl)c1nc(-c2ccc([N+](=O)[O-])cc2)cs1 2331434409 WFEPADRVJLCSLN-UHFFFAOYSA-N 473.941 7.015 50 10 JKGE CCOc1cc(C=C(C#N)c2nc(-c3ccc(C)cc3C)cs2)ccc1OCc1ccccc1C 2331443407 OPAZQXSWOBQRJX-UHFFFAOYSA-N 480.633 7.777 50 10 JKGE COc1cc(C)c(-c2csc(C(C#N)=Cc3ccc(OCc4ccccc4Cl)cc3)n2)cc1C 2331485728 VGZGGBNUEOVTOI-UHFFFAOYSA-N 487.024 7.732 50 10 JKGE CC(F)(F)[C@@H]1C[C@@H]1[C@@H](Br)c1c(Cl)cc(Br)c(F)c1Br 2337095593 CDCSTPUMBRDBDS-OBXARNEKSA-N 485.363 6.731 50 10 JKGE Cc1cc(Br)c(F)c(Br)c1[C@H](Br)C[C@H]1C[C@H]2C[C@H]2C1 2339653979 OHGMRRMZWVTXIY-CHWFTXMASA-N 455.003 6.531 50 10 JKGE Cc1cc(Br)c(F)c(Br)c1[C@H](Br)[C@@H]1CCC12CCC2 2339685321 SFAQSUGLAUPLJM-JOYOIKCWSA-N 455.003 6.675 50 10 JKGE CC(C)(CBr)[C@H]1CCCN1Cc1ccc(Cl)cc1I 2341049127 LILASCFKQFDMIH-CQSZACIVSA-N 456.593 5.330 50 10 JKGE Clc1ccc(CC2(CBr)CC3(CCCC3)C2)c(I)c1 2341052777 UNCSTQBMGDVPAK-UHFFFAOYSA-N 453.589 6.223 50 10 JKGE BrC[C@H](OCc1cccc(I)c1)c1ccccc1Br 2341622417 FCRQUZHLVFYYLK-HNNXBMFYSA-N 495.980 5.707 50 10 JKGE C[C@H](c1ccncc1F)[C@@H](Br)c1cc(Cl)ccc1I 2344692700 OBLHYMLKHYYKBC-XLKFXECMSA-N 454.508 5.718 50 10 JKGE CC(C)(C)C1CC(CBr)(Cc2cc(I)ccc2Cl)C1 2352346455 LCADQNKJNKWPPH-UHFFFAOYSA-N 455.605 6.325 50 10 JKGE Cc1ccc(CCl)c(OCc2ccc(I)cc2)c1Br 2352561208 DJYYZCXCMROKLJ-UHFFFAOYSA-N 451.529 5.680 50 10 JKGE Cc1cc(Br)c(C)c([C@@H](Br)[C@@H]2CC[C@H]3C[C@@H]2CO3)c1Br 2357916818 JMNLAQUIYVUKAG-JBBSTSQOSA-N 467.039 6.080 50 10 JKGE BrC[C@H](COCc1cc(Br)cc(Br)c1)c1ccccc1 2362234858 FTFCGHKQIYPLOL-CQSZACIVSA-N 463.007 5.907 50 10 JKGE Cc1ccc(C[C@H](CBr)Cc2ccc(Cl)c(I)c2)cc1 2362375512 KTOSYXRJIBMXEV-HNNXBMFYSA-N 463.584 6.049 50 10 JKGE CCOCc1cc(Br)c([C@@H](Br)c2c(Br)nc(C)n2C)s1 2362487635 PGTNFJFXZVWWKE-JTQLQIEISA-N 487.055 5.336 50 10 JKGE CCCc1sc(Br)cc1[C@H](Cl)c1cc(Cl)c(C)cc1Br 2363268144 LNUSITLUMPPDEY-OAHLLOKOSA-N 457.058 7.516 50 10 JKGE Cn1nc(Br)c(Br)c1[C@H](Cl)c1ccc(-c2cccs2)s1 2364068602 DJEBXIDTXDYCMH-LLVKDONJSA-N 452.624 6.063 50 10 JKGE Cc1cc(Br)c(F)c(Br)c1[C@H](Br)C12COC(CF)(C1)C2 2365193373 HKZUUQLROZUDEQ-HSBZDZAISA-N 474.965 5.614 50 10 JKGE N#Cc1cc(CBr)ccc1OCc1ccc(Cl)cc1I 2365646665 BRGGMFFEQZSLHA-UHFFFAOYSA-N 462.512 5.290 50 10 JKGE Cc1ccc([C@H](CBr)OCc2ccc(Cl)cc2I)cc1 2365652104 DHYCGKMARDNMCJ-INIZCTEOSA-N 465.556 5.906 50 10 JKGE Brc1ccccc1[C@@H](CI)OCC1CCCCCCC1 2368657230 WLOQEMGXPIFCJS-QGZVFWFLSA-N 451.186 6.302 50 10 JKGE ClCc1nc2ccc(Br)cc2n1Cc1sc(Cl)cc1Br 2369941054 IRHCXBCGGYLYGO-UHFFFAOYSA-N 455.002 6.063 50 10 JKGE Cl[C@@H]1CC[C@@H]2CCCN(Cc3ccc(I)c(Br)c3)[C@H]2C1 2377334236 HUZRIYIVBPLAKP-ZENOOKHLSA-N 468.604 5.426 50 10 JKGE Cc1cc(Br)c(C(C)C)cc1[C@@H](Br)c1cccc(OCc2ccccc2)c1 2380947848 WFLQTKZSNFVSQI-DEOSSOPVSA-N 488.263 7.944 50 10 JKGE Cc1ccc(Cl)cc1N(C(=O)CCl)[C@@H](C(=O)NC1CCCCC1)c1ccc(Cl)cc1 3035283 VKEDKDPJPHNQJZ-JOCHJYFZSA-N 467.824 6.064 50 10 JKGE COc1cc(/C=C(/C#N)C(=O)Nc2ccc(Cl)cc2[N+](=O)[O-])ccc1OCc1ccccc1 6906955 SNFYOWFTDMVCIC-WQRHYEAKSA-N 463.877 5.381 50 10 JKGE CCSc1ccsc1[C@@H]1C(C#N)=C(N)N(c2cccc(Cl)c2C)C2=C1C(=O)CCC2 9982182 GRVJERCLLHWDBO-HXUWFJFHSA-N 456.036 6.127 50 10 JKGE N#C/C(=C\c1sc(N2CCOCC2)nc1-c1ccccc1)c1nc2ccccc2n1C(F)F 12547584 MELVZGUEZFWIAS-SAPNQHFASA-N 463.513 5.456 50 10 JKGE CC[C@@H](Oc1ccc(-c2ccccc2)cc1)C(=O)NNC(=O)c1ccc(NC(=O)c2ccccc2)cc1 14768843 PTTJHMLLLKAXST-HHHXNRCGSA-N 493.563 5.225 50 10 JKGE COc1cc(/C=C(/C#N)C(=O)NCc2ccccc2)ccc1OC(=O)c1ccc(Cl)cc1Cl 33849965 XTPDYMFFVAVHGQ-WQRHYEAKSA-N 481.335 5.445 50 10 JKGE N#C/C(=C/c1ccc(OCc2ccc(F)cc2)cc1)C(=O)Nc1ccccc1Br 33858356 CYYRNFRCJVLTMI-AQTBWJFISA-N 451.295 5.713 50 10 JKGE Cc1ccc(C(=O)N/N=C\c2ccc(N3N=C(c4ccccc4)C[C@H]3c3ccccc3)cc2)cc1 34829319 AWASCKKJZOODHO-BEMJDZQPSA-N 458.565 6.115 50 10 JKGE C[C@@H](Oc1ccc(F)cc1)C(=O)Oc1ccc2c(c1)OC(N)=C(C#N)[C@H]2c1ccc(C(C)(C)C)cc1 38649808 CNRYWLZCXOFBAW-QUGAMOGWSA-N 486.543 5.714 50 10 JKGE CCCCCOc1ccccc1[C@H]1C(C#N)=C(N)Oc2cc(OC(=O)c3ccccc3OC)ccc21 38686007 DCBXCLGYSHMTTF-HHHXNRCGSA-N 484.552 5.702 50 10 JKGE N#C/C(=C\c1ccc(OCc2ccc(Cl)cc2Cl)cc1)C(=O)Nc1ccc(Cl)cc1 59116986 VZPLLZUBKWLNQK-GZTJUZNOSA-N 457.744 6.771 50 10 JKGE O=C(N/N=C1/C(=O)N(Cc2c(Cl)cccc2Cl)c2ccccc21)c1cc(Cl)ccc1O 59156568 BJGFJEVCJQNRFH-LHLOQNFPSA-N 474.731 5.033 50 10 JKGE C=CCc1cc(/C=N/NC(=O)c2cc3ccccc3o2)ccc1OCc1ccc(Cl)cc1Cl 59305477 GYKISDACNHBOLA-WKULSOCRSA-N 479.363 6.811 50 10 JKGE O=C(N/N=C/c1ccccc1OCc1ccccc1)c1ccc(NC(=O)c2ccc(F)cc2)cc1 97729956 GNKSGKDTEUWHSB-UXHLAJHPSA-N 467.500 5.421 50 10 JKGE CCOC(=O)c1cc(C(C)C)sc1NC(=O)/C(C#N)=C\c1cc(Cl)ccc1OCC(C)C 98063465 MHKVAYSMONNNIU-MFOYZWKCSA-N 475.010 6.282 50 10 JKGE CC(C)(C)c1ccc(C(=O)Nc2ccc(C(=O)NN=C3CCCCCCCCCCC3)cc2)cc1 100429183 FTYNKOHFJPBNJD-UHFFFAOYSA-N 475.677 7.627 50 10 JKGE CC1=C(C#N)C(=O)N([C@@H](C)c2ccccc2)C(=O)/C1=C/c1ccc(OCc2ccc(Cl)cc2)cc1 101337929 RLIAPTYYUFMIJF-NTRYICDMSA-N 482.967 6.272 50 10 JKGE C/C(=N/NC(=O)c1ccc(OCc2ccccc2)cc1)c1ccc(N2C(=O)[C@@H]3CCCC[C@H]3C2=O)cc1 105434575 OUWSTWWWPIRXCK-XPOJPVFRSA-N 495.579 5.099 50 10 JKGE CCOc1cc(Br)c([C@@H](Br)c2ccc(Br)s2)cc1OCC 109864862 YKNPLMSWNHULFP-OAHLLOKOSA-N 499.062 6.555 50 10 JKGE Brc1cc([C@H](Br)[C@@H]2CCOc3ccccc32)sc1Br 128252704 JNHQYEDFRKRNLV-NOZJJQNGSA-N 467.020 6.275 50 10 JKGE Cc1ccc(Br)c([C@H](Br)c2ccc(Br)c3ccccc23)c1 161771105 IQGNCLIDVKOKJY-GOSISDBHSA-N 469.014 7.158 50 10 JKGE CC1(C)[C@H]2CC[C@@]1(C)[C@H](O[C@@H](CI)c1ccc(Br)cc1)C2 162494982 RROHUFOZLOBPQH-SCNOPHJPSA-N 463.197 6.157 50 10 JKGE Cl[C@@H](c1csc(I)c1)c1csc2c(Br)cccc12 163371191 QOXAWGWLUNFVDQ-LBPRGKRZSA-N 469.594 6.658 50 10 JKGE CCCCOc1ccc(/C=C(/C#N)C(=O)Oc2ccc(N3C(=O)c4ccccc4C3=O)cc2)cc1 206415502 QTHTUDYDNKJHDM-JZJYNLBNSA-N 466.493 5.179 50 10 JKGE COc1cc(/C=C(/C#N)C(=O)Nc2cccc(C)c2C)ccc1OCc1ccc(C(=O)O)cc1 208453617 BLEUFWJZNQOTLQ-XKZIYDEJSA-N 456.498 5.135 50 10 JKGE CCCCCN1C(=O)C(C#N)=C(C)/C(=C/c2cn(-c3ccc([N+](=O)[O-])cc3)nc2-c2ccccc2)C1=O 214234588 QLXSOSDYSBGINL-JLPGSUDCSA-N 495.539 5.230 50 10 JKGE CC[C@@H](C)[C@H](c1ccccc1)[C@@H](Br)c1cc(Br)sc1Br 217557693 GNVAUDFLRIMIRY-KMUNFCNLSA-N 481.091 7.539 50 10 JKGE Cc1cc(Br)c([C@H](Br)[C@@H]2[C@H](C)O[C@@H](C)[C@H]2C)cc1Br 227271682 RZSKNRZQWWPXPM-DAYMJXMFSA-N 455.028 6.016 50 10 JKGE C[C@@H]1CCCC[C@H]1NC(=O)[C@H](c1ccccc1Cl)N(C(=O)CCl)c1ccc(F)cc1 230275340 ALPWTEAKOMOWJK-QPJICYPMSA-N 451.369 5.487 50 10 JKGE COc1ccc(C[C@H](Cl)c2cc(I)ccc2Br)cc1 234941498 GEPPZONBKNPFIW-HNNXBMFYSA-N 451.529 5.585 50 10 JKGE O=C(CNc1cccc2ccccc12)N/N=C(\Cc1ccccc1)c1ccc(-c2ccccc2)cc1 253575209 UICMOUWZEQFXGJ-WUVHBKSUSA-N 469.588 6.682 50 10 JKGE CC(=NNC(=O)CSc1nnc(-c2ccc(C(C)(C)C)cc2)n1-c1ccc(C)cc1)c1cccnc1 254682611 JNCGUKUDVDUFFN-UHFFFAOYSA-N 498.656 5.568 50 10 JKGE CCOc1cc(C(=O)NN=Cc2ccc(N(CC)Cc3ccccc3)cc2)cc(OCC)c1OCC 254763577 OGPDDHDEKYVJIN-UHFFFAOYSA-N 489.616 5.673 50 10 JKGE COc1ccccc1C=NNC(=O)CSc1nnc(-c2ccc(C)cc2)n1C1CCCCC1 254839402 JPKXZZXVWOPLJB-UHFFFAOYSA-N 463.607 5.010 50 10 JKGE C[C@]1(CBr)[C@H]2CC[C@@]1(CBr)c1nc3ccc(C(F)(F)F)cc3nc12 256024813 BGGGBCALDBQMAV-CIISACIHSA-N 464.123 5.574 50 10 JKGE BrCc1cc(I)cc2scc(I)c12 306601240 CDFLGFVZPMKWAY-UHFFFAOYSA-N 478.918 5.005 50 10 JKGE COc1ccc([C@@H](Br)c2sccc2I)c2ccccc12 312419487 RDQWEOPXMVBAFQ-OAHLLOKOSA-N 459.146 5.999 50 10 JKGE FC(F)(F)c1csc([C@@H](Cl)c2ccc(Br)c(Cl)c2)c1Br 312864763 RNDRNJRXDBABMG-JTQLQIEISA-N 468.947 7.274 50 10 JKGE C[C@@H]1[C@@H](n2c(CCCl)nc3cc(Br)c(F)cc32)CCN1Cc1ccccc1 383537540 CMFFUOFIMYKHNG-KUHUBIRLSA-N 450.783 5.555 50 10 JKGE CC(C)(C)[Si](C)(C)OCCc1cccc([C@@H]2CCCCN2CCO[Si](C)(C)C(C)(C)C)c1 616616750 WYBIEKOIYOWDEY-VWLOTQADSA-N 477.882 7.800 50 10 JKGE CC(C)(C)[Si](C)(C)OCCc1ccccc1[C@@H]1CN(CCO[Si](C)(C)C(C)(C)C)CCCO1 616681659 RRHSUBDBTIHTSO-VWLOTQADSA-N 493.881 7.036 50 10 JKGE COc1cc(C)c([C@@H](Br)c2scc(Br)c2Br)cc1OC 705466435 VGSABRFMECQKHZ-GFCCVEGCSA-N 485.035 6.083 50 10 JKGE Cl[C@H](Cc1cccc(Br)c1)c1scc(Br)c1Br 705500938 IKDVYPCXRLOXNV-SNVBAGLBSA-N 459.428 6.558 50 10 JKGE COc1ccc2c(c1)nc(CCl)n2CC1(N(Cc2ccccc2)Cc2ccccc2)COC1 705781173 AHUPCJBXPVJSGA-UHFFFAOYSA-N 461.993 5.255 50 10 JKGE Fc1ccc(C(CBr)(CBr)Cc2ncc(Br)s2)cc1 713637001 BSWFGATXEPMBMN-UHFFFAOYSA-N 472.015 5.315 50 10 JKGE C[C@@H]1Cc2cc(Br)cc([C@H](Br)c3nscc3Br)c2O1 720025295 LFKBJZFCRGJEAT-KBUNVGBDSA-N 468.008 5.476 50 10 JKGE C[C@H]1C[C@H](COc2c(Br)cc(Br)cc2CBr)C[C@@H](C)O1 724392339 LFWTVYYDGREROK-JGPRNRPPSA-N 471.027 5.689 50 10 JKGE O=C(CCCSc1ccccn1)NN=Cc1ccccc1OCc1cccc(Br)c1 1083969926 PHXYMSBCWSNWHW-UHFFFAOYSA-N 484.419 5.446 50 10 JKGE N#C/C(=C/c1ccc(-c2ccc(Cl)cc2[N+](=O)[O-])o1)C(=O)Nc1cccc(Cl)c1Cl 1084101536 UPLRZZLPEMOQOE-FLIBITNWSA-N 462.676 6.361 50 10 JKGE O=C(NN=Cc1ccc(Oc2ccc(C(F)(F)F)cc2[N+](=O)[O-])cc1)c1cccc(Cl)c1 1084131425 SVZSSTBLDHNVNJ-UHFFFAOYSA-N 463.799 5.823 50 10 JKGE COc1cc(/C=C(\C#N)C(=O)Nc2cccc(C)c2)cc(Br)c1OCc1ccccc1 1084317139 PYQHZANFRNHHAA-UDWIEESQSA-N 477.358 5.891 50 10 JKGE Cc1cc(C)c2[nH]c(-c3ccccc3)c(/C=C(/C#N)C(=O)Nc3ccc(Cl)c(Cl)c3)c2c1 1084373637 CQVLGNDJDRBXKL-PDGQHHTCSA-N 460.364 7.304 50 10 JKGE CCN(CC)c1ccc(C=NNC(=O)c2ccc(NC(=O)c3ccc(C(C)(C)C)cc3)cc2)c(O)c1 1084522448 MUHWMUZMNMBDAY-UHFFFAOYSA-N 486.616 5.552 50 10 JKGE CC(C)(C)c1ccc([C@H]2CN(C(=O)OCc3ccccc3)C[C@H]2CI)cc1 1614810756 MEXSXMSCAXZUDQ-TZIWHRDSSA-N 477.386 5.771 50 10 JKGE COc1ccc(C=NNC(=O)COc2ccc(C(C)(C)C)cc2Br)cc1Br 1772756504 FOVNRNGDLXQRDV-UHFFFAOYSA-N 498.215 5.047 50 10 JKGE COc1ccc(/C=C/C(=O)NCc2ccc(OC(=O)Nc3ccc(SC#N)cc3)cc2)cc1OC 1858905606 WCYCGCADFXOYKN-MKMNVTDBSA-N 489.553 5.217 50 10 JKGE CCCc1nn(Cc2ccc(Cl)c(Cl)c2)c2c1[C@@H](c1ccc(OCC)cc1)C(C#N)=C(N)O2 1865693492 JYVHZCINRCXERS-QFIPXVFZSA-N 483.399 5.808 50 10 JKGE CCOc1ccc([C@H]2C(C#N)=C(N)Oc3c2c(-c2ccccc2)nn3Cc2ccc(F)cc2)cc1 1865693937 NBMRYJWWNBGSHM-DEOSSOPVSA-N 466.516 5.354 50 10 JKGE CCCCOc1ccc([C@H]2C(C#N)=C(N)Oc3c2c(-c2ccccc2)nn3CC(C)C)cc1OC 1865696062 BSGMLSHEWNXWKW-DEOSSOPVSA-N 472.589 5.612 50 10 JKGE COc1ccc(-c2nn(-c3cccc4ccccc34)c3c2[C@H](c2ccco2)C(C#N)=C(N)O3)cc1 1865698614 YQGPINFNAGBLCY-DEOSSOPVSA-N 460.493 5.512 50 10 JKGE CCc1nn(-c2cccc(Cl)c2)c2c1[C@@H](c1cccc(OCc3ccccc3)c1)C(C#N)=C(N)O2 1865711667 FBAIEWZTAMVFEQ-VWLOTQADSA-N 482.971 5.885 50 10 JKGE COCCCN1[C@@H](C)CN(c2cc(Nc3ccc(SC#N)cc3)nc(-c3ccccc3)n2)C[C@H]1C 1868364705 DOWZWMSGYRDARC-OYRHEFFESA-N 488.661 5.396 50 10 JKGE N#CSc1ccc(Nc2cc(N3CC[C@@H](c4ccco4)C3)nc(-c3ccc(F)cc3)n2)cc1 1868456915 XCIYWVPQTOLOQH-GOSISDBHSA-N 457.534 6.186 50 10 JKGE Cc1ccc(OC/C(O)=C(\C#N)c2nc(-c3ccc(-c4ccccc4)cc3)cs2)c(C(C)(C)C)c1 1872743783 LUGUWYRUELMVJT-PNHLSOANSA-N 480.633 7.955 50 10 JKGE COc1ccc(/C=C(C(/O)=C(\C#N)c2nc(-c3ccc(F)c(F)c3)cs2)\c2ccccc2)cc1 1872751631 QHVMZQMYFMZHAL-HOXQULNLSA-N 472.516 7.130 50 10 JKGE CC(C)c1ccc(-c2csc(/C(C#N)=C(\O)[C@@H]3CC(=O)N([C@@H](C)c4ccccc4)C3)n2)cc1 1872752243 STXQPLPMALNOBT-RWIOATNDSA-N 457.599 6.336 50 10 JKGE COc1ccc(-c2csc(/C(C#N)=C(\O)CCCOc3ccc(Cl)cc3Cl)n2)cc1F 1872752556 JEKQNTCHVAVAQK-CYVLTUHYSA-N 479.360 6.916 50 10 JKGE CCOc1ccc(OCC)c(-c2csc(/C(C#N)=C(\O)C(c3ccccc3)c3ccccc3)n2)c1 1872754995 UDIDIWOWMNNMOY-COOPMVRXSA-N 482.605 7.232 50 10 JKGE COc1cc(OC)c(-c2csc(/C(C#N)=C(\O)[C@H](C)Oc3ccc(Cl)cc3)n2)cc1Cl 1872756592 QVHHRKZPGTYTRF-SOFNNGJSSA-N 477.369 6.394 50 10 JKGE CCCOc1c(Br)cc(/C=C(\C#N)c2nc(-c3ccc(OC)cc3)cs2)cc1OC 1872780500 AYGYFDYLVOGVCZ-LICLKQGHSA-N 485.403 6.443 50 10 JKGE N#C/C(=C\c1ccc(OCc2ccc(Cl)cc2Cl)cc1)c1nc(-c2cccs2)cs1 1872791565 MMNDTLNHZACEJC-LICLKQGHSA-N 469.418 7.822 50 10 JKGE CCCOc1ccc(-c2csc(/C(C#N)=C(\O)Cc3cc(C)ccc3C)n2)cc1OCCC 1872818389 ZYMQLILQPNWARP-GYHWCHFESA-N 462.615 7.040 50 10 JKGE CC(C)(C)OC1CC([C@@H](Br)c2cc(Br)sc2Br)C1 1913994746 RCTZBLGCLFJRCX-OIAXGBPSSA-N 461.057 6.303 50 10 JKGE Cc1ccc([C@@H](Br)c2sc(Br)cc2Br)cc1C(F)(F)F 1922888990 UGGASULTMZFLLF-LLVKDONJSA-N 492.980 7.085 50 10 JKGE Cc1c(Br)sc([C@H](Br)[C@@H]2CCC[C@@H]3CCCC[C@@H]32)c1Br 1922921739 UIOBUQVFCXOXQS-CIQGVGRVSA-N 485.123 7.624 50 10 JKGE Cc1c(Br)sc([C@H](Br)[C@@H]2C(F)(F)C23CCCC3)c1Br 1922937043 XJNHEVMMMMRFLA-WPRPVWTQSA-N 479.022 6.843 50 10 JKGE Cc1c(Br)sc([C@@H](Br)C2CCCCCCC2)c1Br 1922955294 YCEGULIKDZVXQY-LBPRGKRZSA-N 459.085 7.378 50 10 JKGE FC(F)(F)COC[C@@H](Br)c1c(Br)sc(Br)c1Cl 1923048703 IDKUZWWCHXFCBT-GSVOUGTGSA-N 481.353 5.941 50 10 JKGE CC[C@@H](CC(C)C)[C@@H](Cl)c1c(Br)sc(Br)c1Br 1924605278 OSXNJDXHSSKURZ-OIBJUYFYSA-N 467.492 7.388 50 10 JKGE Clc1sc(Br)c(Cl)c1[C@@H](Br)c1ccc(Br)o1 1925567372 BUMNVBJULWQYSD-LURJTMIESA-N 469.807 6.657 50 10 JKGE CCOC1([C@H](Br)c2c(Br)sc(Br)c2Cl)CC1 1979427861 WURCPJLOHNYSMB-SSDOTTSWSA-N 453.421 5.932 50 10 JKGE CCc1sc(Br)cc1[C@H](Br)c1nc(C)sc1Br 2003569098 MQKLXUUSBVIRKS-VIFPVBQESA-N 460.054 6.085 50 10 JKGE CCc1ccc([C@H](Br)c2ccc(Br)cc2I)s1 2026221627 MZVKNTBDYHVBIB-CYBMUJFWSA-N 486.010 6.162 50 10 JKGE Brc1cc([C@H](Br)c2cccc(C3CC3)c2)sc1Br 2036359046 WPKXWVCZUCTFSR-CYBMUJFWSA-N 451.021 6.635 50 10 JKGE CC1(C)CC[C@H](CBr)N(Cc2cccc(Br)c2Br)C1 2092328232 JLZKTNCRYOPXBL-GFCCVEGCSA-N 454.044 5.597 50 10 JKGE COc1ccc(C[C@@H](Br)c2cc(Br)sc2Br)cc1F 2112118093 VPBUZUXJILJNAE-SECBINFHSA-N 472.999 6.100 50 10 JKGE COc1ccc([C@@H](Br)c2cc(I)ccc2F)cc1Br 2113358832 VEPJTWHCGMVNGT-CQSZACIVSA-N 499.943 5.686 50 10 JKGE Cc1cc(Br)c([C@@H](Br)C2(C)CCCCCC2)cc1Br 2116007691 CIMSNQDCPLSFAF-OAHLLOKOSA-N 453.056 7.317 50 10 JKGE BrCc1cc(Br)c(OCC2C[C@H]3CC[C@@H]3C2)c(Br)c1 2132515774 CKWYZCQVDDUVIL-VXGBXAGGSA-N 453.012 5.922 50 10 JKGE Cc1c(Br)ccc([C@@H](Br)c2cc(Cl)cc(Cl)c2)c1Br 2138855089 VNKRPNJWFXFVHZ-AWEZNQCLSA-N 487.844 7.311 50 10 JKGE O=C(NC1(CCCBr)CCC1)c1ccc(Br)cc1Br 2140871704 LDAUFQOCNFMUNO-UHFFFAOYSA-N 454.000 5.039 50 10 JKGE Cc1cc([C@H](Br)c2cc(Br)c3c(c2)C[C@H](C)O3)c(Br)s1 2157246184 YUSDLPTWLNFBDX-WPPNPWJKSA-N 481.047 6.389 50 10 JKGE O=C(c1scc(Br)c1Br)N1CCC[C@]2(CBr)CCC[C@H]12 2165290389 NJFYXDCMGQCPQQ-HZMBPMFUSA-N 486.067 5.443 50 10 JKGE CC1(C)COc2c([C@@H](Br)c3cc(Br)cs3)cc(Br)cc21 2172565057 PDHAVZFFHOHYNN-CYBMUJFWSA-N 481.047 6.427 50 10 JKGE COc1c(Cl)cc(Br)cc1[C@@H](Br)c1c(F)cccc1Br 2203001903 NISIOZZUJCCXLA-CYBMUJFWSA-N 487.388 6.497 50 10 JKGE COc1cc(F)c(Cl)cc1[C@H](Br)c1ccc(I)c(Cl)c1 2207362742 NISLPBPZNYKRQB-CQSZACIVSA-N 489.937 6.230 50 10 JKGE Clc1cc(CN2CCC[C@@H]3CC[C@H](Br)C[C@H]32)ccc1I 2208027412 ABPJAQSSRKWKBD-DVOMOZLQSA-N 468.604 5.473 50 10 JKGE C[C@@H]1C[C@H](Cl)C[C@@H](c2sc(Br)c(Br)c2Br)C1 2212197522 FUCJAZQOOPIBOX-ACZMJKKPSA-N 451.449 6.547 50 10 JKGE CCOCc1cc(Br)c([C@H](Br)c2ccc(Br)o2)s1 2217984566 ZNGSWNQHZRIJKN-LLVKDONJSA-N 458.997 5.887 50 10 JKGE COc1cc(F)cc([C@@H](Br)c2cc(Br)sc2Br)c1 2218937283 PLTKFDIUCRIIDV-LLVKDONJSA-N 458.972 5.905 50 10 JKGE Cc1cc(Br)c([C@H](Br)[C@@H]2C[C@H]2C(C)(F)F)c(C)c1Br 2227352791 QWDIKGHETPEHSJ-JRKPZEMJSA-N 460.982 6.556 50 10 JKGE Clc1cc(Br)c([C@H](Br)CCC2CCCCC2)c(Cl)c1Cl 2232509357 CKHNHLUNMNISJE-SNVBAGLBSA-N 463.468 8.206 50 10 JKGE FC1(F)[C@H]2CCC[C@H]1CC([C@@H](Br)c1cc(Br)sc1Br)C2 2233642194 KSVQYWJUJYWMDM-HOTUBEGUSA-N 493.049 7.171 50 10 JKGE COc1ccc([C@@H](Br)c2cc(Br)c(Br)cc2F)c(Cl)c1 2233981756 MTWDPWPUTVFYNR-CQSZACIVSA-N 487.388 6.497 50 10 JKGE Cc1sc([C@@H](Cl)c2cc(Cl)c(Cl)c(Cl)c2Cl)c(Br)c1C 2237629749 MODMOFVPRACFMP-JTQLQIEISA-N 453.443 8.069 50 10 JKGE Clc1c(Br)csc1[C@H](Br)Cc1ccc(Br)cc1 2246497820 QHEAUZVLTSLLKF-SECBINFHSA-N 459.428 6.605 50 10 JKGE FC(F)[C@@H]1CCC[C@H]1[C@H](Br)c1sc(Br)cc1Br 2249208891 OAZSGKQRDKFXEF-KCRUCZTKSA-N 452.984 6.391 50 10 JKGE Cc1cc(F)c(Br)cc1[C@H](Br)c1cc(C)c(Br)s1 2258096289 SFMYITZCKHCOSM-LBPRGKRZSA-N 457.000 6.513 50 10 JKGE Cc1c(Br)sc([C@@H](Br)[C@@]23C[C@@H](CO2)C3(C)C)c1Br 2260656884 XXYLJAKLRWQIER-JVQVWZCXSA-N 459.041 5.833 50 10 JKGE Cc1cc(Br)c([C@H](Br)c2c(Br)cc(C)c(F)c2C)s1 2264463339 OBBMAGJUGXVZPY-GFCCVEGCSA-N 471.027 6.822 50 10 JKGE Cc1ccccc1[C@@H](Br)c1c(F)cc(Br)c(F)c1Br 2272728474 XYHQWKJAAQPBMZ-GFCCVEGCSA-N 454.934 6.283 50 10 JKGE COc1c(Br)cc(Cl)c(C)c1[C@H](Br)c1ccsc1Br 2277883927 ONHUEUSHUBXPCC-LLVKDONJSA-N 489.454 6.728 50 10 JKGE Cc1cccc([C@H](Br)c2cc3sc(Br)cc3s2)c1Br 2278101219 NFVIFXAAVPDUJG-AWEZNQCLSA-N 481.072 7.281 50 10 JKGE COc1ccc([C@@H](Br)Cc2cccc(Br)c2)c(Br)c1Cl 2283564554 UOKNZEKPMZUXQF-LBPRGKRZSA-N 483.425 6.552 50 10 JKGE CC(C)CCCCCO[C@](C)(CI)c1ccccc1Br 2284905547 IRCSQIHXSGNNGG-QGZVFWFLSA-N 453.202 6.332 50 10 JKGE COc1cc(C)c(Br)c(C)c1[C@@H](Br)c1cc(Br)n(C)n1 2285074522 JZVNGYSMDNFWRU-AWEZNQCLSA-N 466.999 5.055 50 10 JKGE CCOc1ccc(C=C(C#N)C(=O)Nc2ncc(Cc3ccc(Cl)cc3Cl)s2)cc1 2293038445 CMJUXCNCUPCBCM-UHFFFAOYSA-N 458.370 5.985 50 10 JKGE N#CC(=Cc1ccccc1)C(=O)Oc1ccc2c(=O)c(-c3ccc(Cl)cc3)c(C(F)(F)F)oc2c1 2293189906 VJHYUCBCHVUDHK-UHFFFAOYSA-N 495.840 6.645 50 10 JKGE C=CCc1ccc(OCCOc2ccccc2C=C(C#N)C(=O)Nc2ccccc2C)c(OC)c1 2293485593 MOZPUKCAGFSCDS-UHFFFAOYSA-N 468.553 5.736 50 10 JKGE Clc1cc(Br)cc(COc2c(Cl)cc(CBr)cc2Cl)c1 2296301501 VGHKATQUNBMATF-UHFFFAOYSA-N 459.392 6.883 50 10 JKGE Cc1cccn2c(=O)c(C=C(C#N)C(=O)NC3CCCC3)c(Oc3ccc(C(C)(C)C)cc3)nc12 2296719429 PUCCSFOJVRBQIZ-UHFFFAOYSA-N 470.573 5.059 50 10 JKGE CC(C)(C)CC(C)(C)c1ccc(OCC(=O)NN=CC(Br)=Cc2ccccc2)cc1 2296825675 WMHXTZRGNNSUPG-UHFFFAOYSA-N 471.439 6.317 50 10 JKGE COc1cc(C=C(C#N)C(=O)Nc2cc(C(F)(F)F)ccc2Cl)cc(Br)c1O 2297381441 PPWADESPIAHURW-UHFFFAOYSA-N 475.648 5.381 50 10 JKGE CC(C)(C)[C@H]1CC(=Cc2ccc(Cl)cc2)C2=C(C1)[C@H](c1ccc(Cl)cc1)C(C#N)=C(N)O2 2297504898 PKPNCDBPQDISDP-CYFREDJKSA-N 465.424 7.595 50 10 JKGE CCOc1cc(C=C(C#N)C(=O)Nc2ccc(F)cc2)ccc1Oc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] 2297533871 WBKXLQTYRFZCKS-UHFFFAOYSA-N 492.419 5.379 50 10 JKGE CCC(CC)[C@@H](Br)c1c(Cl)cc(Br)c(F)c1Br 2300171590 CSVWWYSVVHSRIE-SNVBAGLBSA-N 451.399 6.876 50 10 JKGE CN(C)C(=O)C(C#N)=Cc1ccc(OCc2ccc(Cl)c(Cl)c2)c(Br)c1 2313568561 WQXRXJNZWHXYIA-UHFFFAOYSA-N 454.151 5.330 50 10 JKGE O=C(C=Cc1cccc2ccccc12)NC(=S)NNC(=O)c1sc2ccccc2c1Cl 2313616862 CLIMTDZRQPFEAV-UHFFFAOYSA-N 465.987 5.057 50 10 JKGE N#CC(=Cc1cccc(OCc2ccc(Br)cc2)c1)C(=O)Nc1cccc(Cl)c1 2313631389 PKJFFAUCQBNDCJ-UHFFFAOYSA-N 467.750 6.227 50 10 JKGE C[C@H](Oc1ccc(Cl)cc1Cl)C(=O)NN=C1C(=O)N(CC=Cc2ccccc2)c2ccccc21 2313649568 NISFBTQCGGONKD-KRWDZBQOSA-N 494.378 5.341 50 10 JKGE COc1ccc(-c2nn(-c3ccccc3)cc2C=C(C#N)c2nc(O)c3ccccc3n2)cc1OC 2314432691 DCHMSIKIRSILGT-UHFFFAOYSA-N 475.508 5.269 50 10 JKGE Brc1cc(OCc2ccccc2)ccc1[C@H](Br)C1CC(C2CCC2)C1 2314444893 NEPMPVFUDIIIFV-RWWKDMOOSA-N 464.241 7.290 50 10 JKGE CO[C@@H]1CCC[C@@H]([C@H](Br)c2ccc(OCc3ccccc3)cc2Br)C1 2314446433 TYBSTKLPJYGOHM-LZJOCLMNSA-N 468.229 6.669 50 10 JKGE Cc1nn(C)c([C@@H](Br)c2ccc(OCc3ccccc3)cc2Br)c1Cl 2314447272 ZIIUBDVQQZBBNB-KRWDZBQOSA-N 484.619 6.208 50 10 JKGE Cc1cc(F)cc([C@H](Br)c2cc(Br)ccc2OCc2ccccc2)c1 2314488507 IXRQRJNGEFYGDB-NRFANRHFSA-N 464.172 6.960 50 10 JKGE CC1=C(C#N)C(=O)N(C(C)C)C(=O)C1=Cc1cn(-c2ccccc2)nc1-c1ccc(OCC(C)C)cc1 2314610940 OOMFVNNKANCXFN-UHFFFAOYSA-N 494.595 5.575 50 10 JKGE CCCOc1ccc(C=C(C#N)C(=O)Nc2sc3c(c2C(=O)OCC)CC[C@H](C(C)(C)C)C3)cc1 2314737844 YRBTXVKNGQFFMQ-FQEVSTJZSA-N 494.657 6.410 50 10 JKGE COc1cc(C=C(C#N)C(=O)NCc2ccco2)ccc1OC(=O)C=Cc1ccc(C(C)C)cc1 2314740312 GYSUMIDHRSYOCF-UHFFFAOYSA-N 470.525 5.254 50 10 JKGE BrCc1ccc(Br)cc1Oc1cc(Br)cc(Br)c1 2316756140 AXAYOGGNVBWNGM-UHFFFAOYSA-N 499.822 6.661 50 10 JKGE Cc1scc([C@H](Br)c2ccc(F)c(Br)c2F)c1Br 2320486799 TXPWGKDRUZXRFD-SNVBAGLBSA-N 460.963 6.344 50 10 JKGE COc1cc(C=C(C#N)c2ccccc2F)ccc1OC(=O)c1ccccc1Br 2320506817 SCSHUEQEFVLPTQ-UHFFFAOYSA-N 452.279 5.880 50 10 JKGE CCOc1ccc(C=NNC(=O)c2ccc(-c3ccc(Cl)cc3Cl)nc2C)cc1OC 2321242217 TXOWNLDEZFESBK-UHFFFAOYSA-N 458.345 5.535 50 10 JKGE N#CC(=C(O)CCCN1C(=O)c2ccccc2C1=O)c1nc(-c2ccc3ccccc3c2)cs1 2331237748 AEISHNPGXQPGKH-UHFFFAOYSA-N 465.534 5.832 50 10 JKGE CCOc1ccc(OCC)c(-c2csc(C(C#N)=C(O)C=Cc3ccc(Cl)cc3Cl)n2)c1 2331376564 SXLODCXAQJEBRH-UHFFFAOYSA-N 487.408 7.420 50 10 JKGE COc1cc(OC)c(-c2csc(C(C#N)=C(O)c3cccc(OCC(C)C)c3)n2)cc1Cl 2331381080 GZAKJUANNGJTQQ-UHFFFAOYSA-N 470.978 6.465 50 10 JKGE CCOC(=O)Oc1ccc(C(O)=C(C#N)c2nc(-c3ccc(OC)cc3OC)cs2)cc1 2331385604 ADMYMXHJDAAADS-UHFFFAOYSA-N 452.488 5.312 50 10 JKGE CCc1cccc(C)c1N1C[C@H](C(O)=C(C#N)c2nc(-c3cc(Cl)ccc3Cl)cs2)CC1=O 2331404489 LYMIXRYLDRSAMI-MRXNPFEDSA-N 498.435 6.834 50 10 JKGE CCCOc1ccc(-c2csc(C(C#N)=Cc3ccc(OC)c(OC)c3)n2)cc1OCCC 2331437873 KMPXYMJLADLMQW-UHFFFAOYSA-N 464.587 6.469 50 10 JKGE COc1cc(C=C(C#N)c2nc(-c3cccc4ccccc34)cs2)ccc1OCc1ccc(C)cc1 2331456520 YFYSUVOACJHRJT-UHFFFAOYSA-N 488.612 7.924 50 10 JKGE COc1ccc(C(C)(C)C)cc1-c1csc(C(C#N)=Cc2cc(Br)ccc2F)n1 2331461193 UZCGPCLXYNBOAR-UHFFFAOYSA-N 471.395 7.082 50 10 JKGE Cc1cc(Br)c(C)c([C@H](Br)[C@H]2CCC[C@@H]3C[C@H]23)c1Br 2332925205 BEDLUSKKYBAFCB-KZTGVZKYSA-N 451.040 6.701 50 10 JKGE Clc1cc(CN2[C@H]3CCC[C@H]3C[C@@H]2CBr)ccc1I 2333389475 PJHMCOJSWSMJBO-ZOWXZIJZSA-N 454.577 5.083 50 10 JKGE Brc1ccc(Br)c([C@H](Br)[C@H]2OC[C@@H]3CCCC[C@H]23)c1 2333528043 ZAQRKJYGVHWECX-YIVQXAGMSA-N 453.012 5.853 50 10 JKGE Fc1cc(Br)c(F)c(Br)c1[C@H](Br)[C@H]1C[C@@H]2C[C@@H]2CO1 2334719864 LGGNAJMJLXRCER-WQRVWIMNSA-N 460.938 5.351 50 10 JKGE COc1ccc([C@H](Br)c2cc(Br)ccc2OCc2ccccc2)cc1F 2336076519 ZOXVRSNGIUNHPS-NRFANRHFSA-N 480.171 6.660 50 10 JKGE CC(F)(F)[C@@H]1C[C@H]1[C@H](Br)c1c(Cl)cc(Br)c(F)c1Br 2337083641 CDCSTPUMBRDBDS-OJFKHTATSA-N 485.363 6.731 50 10 JKGE BrCC1(Cc2sccc2I)CC2(CC3(CCC3)C2)C1 2338623200 PFHBVPICACDXED-UHFFFAOYSA-N 451.211 6.021 50 10 JKGE COc1ccc(C[C@@H](Cl)c2cc(Br)sc2Br)c(Br)c1 2338884777 JDPOXYLBAMFZFP-LLVKDONJSA-N 489.454 6.567 50 10 JKGE COc1c(Br)cc(C)c([C@H](Br)[C@H]2CO[C@@H](C)C2)c1Br 2339689275 NGIAXDIXDHTMCU-YGOYTEALSA-N 457.000 5.390 50 10 JKGE Fc1cc(CBr)ccc1OCc1ccc(Cl)cc1I 2340110630 RXGNGNAIONPELG-UHFFFAOYSA-N 455.492 5.558 50 10 JKGE CC1(C)CCN(Cc2ccc(Cl)cc2I)C[C@H]1CBr 2341031922 GRSYFFSURPKZSI-GFCCVEGCSA-N 456.593 5.188 50 10 JKGE C[C@@H](c1ccncc1F)[C@H](Br)c1ccc(Cl)cc1I 2344715255 YUTWBILJYZBQRL-RTHLEPHNSA-N 454.508 5.718 50 10 JKGE CCC[C@H]1CN(Cc2ccc(I)c(Br)c2)C[C@@H]1CCl 2349832215 UQAXXPABGFXNRK-STQMWFEESA-N 456.593 5.141 50 10 JKGE CC(C)C[C@H](CBr)CN=[S@](C)(=O)C[C@H](NC(=O)OC(C)(C)C)C(C)(C)C 2353825204 ARGZLQBTQRHBNC-YQHYCNIYSA-N 455.503 5.081 50 10 JKGE Fc1cc(Cl)c(Br)c(Cl)c1[C@H](Br)[C@@H]1C(F)(F)C12CCC2 2360404297 BIFZXWDBSQSTQY-ONGXEEELSA-N 452.923 6.766 50 10 JKGE CS(=O)(=O)c1ccc([C@H](Cl)c2ccc(OCc3ccccc3)cc2Br)cc1 2361196318 WPXIJXBJDHAJDH-NRFANRHFSA-N 465.796 5.760 50 10 JKGE FC[C@]12C[C@]([C@@H](Br)c3c(Cl)cc(Br)c(F)c3Br)(CO1)C2 2362230615 AMVRMFYXYVDJHT-AVGNSLFASA-N 495.383 5.959 50 10 JKGE CCC[C@@H](CC(C)C)[C@H](Br)c1c(C)cc(Br)c(F)c1Br 2365184788 GEQAMSOFTKQKRL-FZMZJTMJSA-N 473.062 7.558 50 10 JKGE Cc1cc(Br)c(F)c(Br)c1[C@H](Br)c1c(F)cccc1Cl 2365185651 JTNBTBCAKNXRBF-LBPRGKRZSA-N 489.379 6.936 50 10 JKGE Cc1cc(Br)c(F)c(Br)c1[C@H](Br)[C@H]1CC12CCCCC2 2365188837 ORORQGSSDHDRCX-ZWNOBZJWSA-N 469.030 7.066 50 10 JKGE C[C@@H]1CC2CC(COc3c(Br)cc(Br)cc3CBr)(C2)O1 2368313885 ADRWZWIDBNJQCT-SBTGLGLWSA-N 469.011 5.443 50 10 JKGE CCc1cc(Br)c(OC)c([C@H](Br)c2c(Br)ncn2C)c1 2381259037 YMEDGRRHGKJICR-NSHDSACASA-N 466.999 5.000 50 10 JKGE C/C(=N/NC(=O)c1ccc(NC(=O)c2ccc(C(C)(C)C)cc2)cc1)c1ccc([N+](=O)[O-])cc1 12491913 TVYLRVSYVPSDBI-QRQIAZFYSA-N 458.518 5.299 50 10 JKGE CSc1sc(C)cc1[C@H]1C(C#N)=C(N)N(c2ccc(Cl)cc2[N+](=O)[O-])C2=C1C(=O)CCC2 27550403 CXGOISIWZNDEFV-IBGZPJMESA-N 487.006 5.645 50 10 JKGE Cc1ccc(CCN(C(=O)CCl)[C@H](C(=O)N[C@H]2CCCC[C@H]2C)c2ccccc2Cl)cc1 33404641 FJOGJWYBWMGSJF-VPHKFGTKSA-N 475.460 5.695 50 10 JKGE COCCCNC(=O)/C(C#N)=C\c1cn(-c2ccccc2)nc1-c1ccc(OCCC(C)C)c(C)c1 34805776 WIGCZHHOUVSVEB-MOHJPFBDSA-N 486.616 5.332 50 10 JKGE Cc1ccc(-c2ccc(/C=C(/C#N)c3nc(O)c4c5c(sc4n3)CCCC5)o2)c([N+](=O)[O-])c1 35568742 WBVUJUBTFGUZHA-KAMYIIQDSA-N 458.499 5.817 50 10 JKGE C=CCOc1ccc(-c2nn(-c3ccccc3)cc2/C=C2/C(=O)N(CCC)C(=O)C(C#N)=C2C)c(C)c1 38603412 JMNAVPHIHROVEQ-YZSQISJMSA-N 492.579 5.415 50 10 JKGE CCCCOc1ccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4oc5ccccc5c4C)ccc32)cc1 38687551 XTVXSPWJVXDIGG-HHHXNRCGSA-N 494.547 6.358 50 10 JKGE Cc1ccc(C)c(NC(=O)/C(C#N)=C\c2c(Oc3ccc(F)cc3)nc3c(C)cccn3c2=O)c1 39858708 PLOBVEGKQCLLHM-RGEXLXHISA-N 468.488 5.097 50 10 JKGE COc1ccc(C(=O)N/N=C2\CCCc3oc(C(=O)N4c5ccc(F)cc5CC[C@@H]4C)c(C)c32)cc1 40813809 XOCUGXGBPSCGRR-ZBMKCLDASA-N 489.547 5.188 50 10 JKGE CCOc1ccc2ccccc2c1/C=N/NC(=O)CCCOc1ccc(C)cc1Br 40951298 NKQDFZBTMZJXIV-WGOQTCKBSA-N 469.379 5.619 50 10 JKGE O=C(N/N=C1/C(=O)N(C(c2ccccc2)c2ccccc2)c2ccccc21)c1ccc(Cl)cc1 59166815 WJLOZLMDJYZMCS-QCWLDUFUSA-N 465.940 5.610 50 10 JKGE Cc1ccc(NC(=O)/C(C#N)=C\c2ccc(OCc3ccc([N+](=O)[O-])cc3)c(Br)c2)cc1 59335210 BCQQUMQSAKJEMQ-UNOMPAQXSA-N 492.329 5.790 50 10 JKGE COc1cc(/C=C(\C#N)C(=O)Nc2ccc(N(C)C)cc2)ccc1OCc1ccc(Cl)cc1Cl 59433664 LXBHBIXCAJCXPK-XDHOZWIPSA-N 496.394 6.193 50 10 JKGE O=S(=O)(O)c1ccc2c(/N=N/c3n[nH]c4cc(Cl)ccc34)c(O)c(SOOO)cc2c1 100034187 AGGPRGMFBWDNJV-LSDHQDQOSA-N 482.883 5.166 50 10 JKGE CNC(=O)/C(C#N)=C1\S[C@@H](Cc2ccc(Cl)c(Cl)c2)C(=O)N1c1ccc(C(C)C)cc1 101240538 WOOQVHGBRXBZEM-MCIDSYJDSA-N 474.413 5.289 50 10 JKGE Cc1ccc(N2C(=O)[C@@H](Cc3ccc(F)cc3)S/C2=C(/C#N)C(=O)Nc2ccccc2)cc1C 101244819 UKYKFSHVISSTNU-NLTRVXJZSA-N 471.557 5.508 50 10 JKGE COc1cc2c(cc1N/C=C(/C#N)c1nc(-c3ccc(CC(C)C)cc3)cs1)oc1ccccc12 102416622 RFGBJXUUJHTXRF-PGMHBOJBSA-N 479.605 7.893 50 10 JKGE Cc1cc(Br)c([C@@H](Cl)Cc2ccc(Br)cc2)cc1Br 128611282 SKPXJBHRVTXNLG-HNNXBMFYSA-N 467.426 6.805 50 10 JKGE Cc1cc(Br)c([C@@H](Br)c2ccc(Br)cc2)cc1Br 128729207 OYBZWTXJQYPAIK-AWEZNQCLSA-N 497.850 6.767 50 10 JKGE Cc1cc(Br)c([C@@H](Br)c2ccc(C(C)C)cc2)cc1Br 128765092 NLISRFUYRADJHH-KRWDZBQOSA-N 461.035 7.128 50 10 JKGE COc1cc(F)c([C@@H](Br)c2cc(Br)ccc2Br)cc1OC 161101435 HWRZLDYDAMPVGL-HNNXBMFYSA-N 482.969 5.852 50 10 JKGE CCN1C(=O)C(C#N)=C(C)/C(=C/c2cn(-c3ccccc3)nc2-c2c(C)cc(C)cc2C)C1=O 214208109 JLLGJJRQGRWWRU-UCQKPKSFSA-N 450.542 5.077 50 10 JKGE CCCCCCCCOc1ccc(/C=C2\C(=O)N(CCCOC(C)C)C(=O)C(C#N)=C2C)cc1OC 214309138 DWYGHDNYKABXLB-MOHJPFBDSA-N 496.648 5.842 50 10 JKGE N#C/C(=C/N(Cc1ccccc1)Cc1ccccc1)C(=O)NC1CCCCCCCCCCC1 217259852 HXBIINJPWSJBMB-FVDSYPCUSA-N 457.662 6.886 50 10 JKGE COc1c(C)cc(Br)c(C)c1[C@H](Br)c1cccc(Br)c1Cl 228454488 LBBDYZNXOSWMEG-CQSZACIVSA-N 497.452 6.975 50 10 JKGE C[C@@H]1CCCC[C@H]1NC(=O)[C@H](c1ccc(Cl)cc1)N(CCc1ccccc1Cl)C(=O)CCl 230274879 GVZMDHMDUGNGNW-BSDZUQITSA-N 495.878 6.040 50 10 JKGE Brc1ccc(I)cc1[C@@H](Br)Cc1ccccc1 232474911 IHCLEJGJNSAGNC-AWEZNQCLSA-N 465.954 5.732 50 10 JKGE Brc1ccc(I)c([C@@H](Br)Cc2cccs2)c1 232475847 RIARBMLMMFZLKS-NSHDSACASA-N 471.983 5.794 50 10 JKGE CCCCOc1ccc(C=NNC(=O)[C@@H](CC)Oc2ccc3ccccc3c2Br)cc1 252638475 YDAOAPRCXKLQBM-JOCHJYFZSA-N 483.406 6.089 50 10 JKGE O=C(NN=Cc1ccc(OC(F)F)cc1)c1ccc(CSc2nc3ccccc3s2)cc1 254295927 URWHJJISDMPMKL-UHFFFAOYSA-N 469.538 5.954 50 10 JKGE CCCC[C@H](CC)COc1c(Br)cc(Br)cc1CBr 311881923 WETLHNIXVQEYMP-NSHDSACASA-N 457.044 6.702 50 10 JKGE Cc1cc(C)c([C@H](Cl)c2ccc(F)cc2I)c(C)c1Br 312288861 QXMCOHNQBLRFBC-MRXNPFEDSA-N 467.547 6.446 50 10 JKGE Cc1cc(C)c([C@H](Br)c2cccc(Br)c2Cl)c(C)c1Br 312349172 FGICPUKTDLMTFI-OAHLLOKOSA-N 481.453 7.275 50 10 JKGE Fc1cccc2nc(CCl)n(-c3cc(I)ccc3Br)c12 312811361 RXQLDVIVSQMCSB-UHFFFAOYSA-N 465.491 5.271 50 10 JKGE Cc1cc([C@H](Br)c2ccc(OCc3ccccc3)cc2)sc1Br 381980413 MOJDYZBNFSUUFE-GOSISDBHSA-N 452.211 6.882 50 10 JKGE CC(C)(C)OC(=O)Nc1ccccc1[C@@H]1CCN(CCO[Si](C)(C)C(C)(C)C)CCO1 616665619 ORLMIJVDUUBBKT-NRFANRHFSA-N 450.696 5.819 50 10 JKGE C[C@@H]1[C@H]2C3=CC[C@@H]4[C@@]5(C)CCC(=O)C(C)(C)[C@@H]5CC[C@@]4(C)[C@]3(C)CC[C@@]2(C(=O)F)CC[C@H]1C 685945429 OCVWLJPVSRNXPK-OADIDDRXSA-N 456.686 7.709 50 10 JKGE COc1c(C)cc([C@@H](Br)c2scc(Br)c2Br)cc1C 707838624 UOYSFKPZQCIHTQ-LLVKDONJSA-N 469.036 6.383 50 10 JKGE C[C@H]1Cc2cc(Br)cc([C@@H](Br)c3ccccc3OCc3ccccc3)c2O1 720037581 BSFFQPIJOFQELC-NYHFZMIOSA-N 488.219 6.836 50 10 JKGE CCOc1ccc([C@H](Cl)c2ccc(I)c(Br)c2)cc1 721604315 OECCOUVCYHTOQO-HNNXBMFYSA-N 451.529 5.781 50 10 JKGE COc1ccccc1OCC(=O)NN=Cc1c(Br)c(C)n(-c2cc(C)ccc2C)c1C 725421030 UUUKRSPVAPOONK-UHFFFAOYSA-N 484.394 5.011 50 10 JKGE CC(=NNC(=O)COc1ccc(C(C)C)cc1Br)c1ccc(Br)cc1 1084059892 NKLHJUBHPJHUEG-UHFFFAOYSA-N 468.189 5.254 50 10 JKGE Cc1nn(-c2ccccc2)c(N(C2CCCCC2)C2CCCCC2)c1C=NNC(=O)C(F)(F)F 1084124419 KCCZJJNWOMZNAH-UHFFFAOYSA-N 475.559 5.665 50 10 JKGE Cc1c(Cl)cccc1NC(=O)/C(C#N)=C/c1ccccc1OCc1ccc(Cl)c(Cl)c1 1084196975 OATDVRFYSDZSRC-LDADJPATSA-N 471.771 7.080 50 10 JKGE CCc1ccc(NC(=O)/C(C#N)=C\c2ccc(OCc3ccc(Cl)cc3Cl)cc2)cc1 1084197441 RLKGOXCMOPZODV-MOSHPQCFSA-N 451.353 6.680 50 10 JKGE COc1cc(C=NNC(=O)c2ccc(CSCc3ccccc3)cc2)cc(Br)c1O 1084373920 ZRJNAMMSMUAKKZ-UHFFFAOYSA-N 485.403 5.361 50 10 JKGE CC(C)Cc1ccc([C@H](C)C(=O)NN=C2C(=O)N(C/C=C/c3ccccc3)c3ccccc32)cc1 1084443099 ASDQUMBCERNYBZ-SQFLRVPISA-N 465.597 5.569 50 10 JKGE COc1cc(/C=C(\C#N)C(=O)Nc2ccc(Cl)cc2)ccc1OCc1cccc(C(=O)O)c1 1084443145 YWAOBJNRWKXEDS-YBFXNURJSA-N 462.889 5.171 50 10 JKGE O=C(NN=Cc1cc(Cl)c(OCc2ccc3ccccc3c2)c(Cl)c1)c1cc2ccccc2o1 1084582801 SURHIPQQBJCDJC-UHFFFAOYSA-N 489.358 7.236 50 10 JKGE COc1ccc(-c2nn(-c3ccccc3)cc2C=NNC(=O)c2cccc(Br)c2)cc1 1565517983 PFHKSNDWSXETOU-UHFFFAOYSA-N 475.346 5.074 50 10 JKGE C=CCN1C(=O)/C(=C\c2ccccc2)SC1=NNC(=O)COc1cc(Cl)c(Cl)cc1Cl 1772718931 WRMDKWFLSKWFRC-OZFBFNFBSA-N 496.803 5.215 50 10 JKGE FC(F)(F)c1cc(-c2c(Cl)c(Cl)c(Cl)c(Cl)c2Cl)ccc1CBr 1848369142 HURPJHSANXAZRB-UHFFFAOYSA-N 487.357 8.534 50 10 JKGE N#CC1=C(N)Oc2c(c(-c3ccccc3)nn2-c2cccc3ccccc23)[C@@H]1c1cccc2ccccc12 1865682070 FCHYHSVGSKLMFQ-GDLZYMKVSA-N 490.566 7.064 50 10 JKGE COc1ccc(-c2nn(-c3ccc(OC)cc3)c3c2[C@H](c2ccc(C)cc2)C(C#N)=C(N)O3)cc1 1865685833 NVNOWXONBCWWJR-XMMPIXPASA-N 464.525 5.083 50 10 JKGE CCCc1nn(-c2ccc(Br)cc2)c2c1[C@H](c1ccc(OCC)cc1)C(C#N)=C(N)O2 1865692709 FECCOHDZHSJCND-OAQYLSRUSA-N 479.378 5.204 50 10 JKGE CCc1ccc([C@H]2C(C#N)=C(N)Oc3c2c(C(F)(F)F)nn3-c2ccc(Br)cc2)cc1 1865709320 ULLQGICTLSKBNE-KRWDZBQOSA-N 489.295 5.434 50 10 JKGE CCc1ccc([C@H]2C(C#N)=C(N)Oc3c2c(-c2ccc(OC)cc2)nn3Cc2ccccc2Cl)cc1 1865709692 ZOSRBNPEPIMFFB-VWLOTQADSA-N 496.998 6.041 50 10 JKGE CC[C@@H](C(=O)N[C@@H](Cc1ccccc1)C(=O)Nc1ccc(SC#N)cc1)c1ccc(Cl)cc1 1866955351 LJKNHFVHBLQQFD-RPWUZVMVSA-N 478.017 5.773 50 10 JKGE CCCC[C@H](NC(=O)[C@H](c1ccc(Cl)c(Cl)c1)C(C)C)C(=O)Nc1ccc(SC#N)cc1 1866990871 KQBZIOJUAHQCOV-VXKWHMMOSA-N 492.472 6.620 50 10 JKGE COc1cccc(/C=C(\C#N)c2cc3c(cc2[N+](=O)[O-])OCCO3)c1OCc1ccccc1Cl 1872728567 JIAUXLLJWLWPKI-WOJGMQOQSA-N 478.888 5.671 50 10 JKGE CCCCc1ccc(N2C[C@H](/C(O)=C(\C#N)c3nc(-c4ccc(C)cc4)cs3)CC2=O)cc1 1872749312 LEQIGKCOKQICRO-IHNLPELVSA-N 457.599 6.307 50 10 JKGE O=C1c2ccccc2C(=O)N1C[C@@H](Cl)CCc1ccc(Br)cc1Br 1905344607 VTBFSKYWMPHODW-ZDUSSCGKSA-N 471.576 5.048 50 10 JKGE C[C@H](CBr)N(Cc1ccccc1)c1ncc(Br)cc1Br 1914346861 BORSLKBVXKHWRQ-LLVKDONJSA-N 463.011 5.397 50 10 JKGE CC[C@H](Cl)CN(Cc1ccccc1)C(=O)c1cc(Br)cc(Br)c1 1915114985 SLHFWIHLSWRXNT-KRWDZBQOSA-N 459.609 5.871 50 10 JKGE Clc1cc(Br)ccc1CN(Cc1ccccc1)[C@@H](CBr)C1CC1 1915206948 CDVRULBIPSPXGJ-IBGZPJMESA-N 457.637 6.278 50 10 JKGE COc1cccc([C@@H](Br)c2sc(Br)c(C)c2Br)c1C 1922906456 JOGIZESRBIQVBX-GFCCVEGCSA-N 469.036 6.383 50 10 JKGE Fc1cccc(F)c1C[C@H](Cl)c1c(Br)sc(Br)c1Br 1924596222 KUARQJFWWRQDDF-LURJTMIESA-N 495.408 6.836 50 10 JKGE Cl[C@H](c1c(Br)sc(Br)c1Br)[C@H]1C[C@H]1c1ccccc1 1924596995 WIKPETJGOIAHDQ-AUTRQRHGSA-N 485.466 7.119 50 10 JKGE Cl[C@@H](c1c(Br)sc(Br)c1Br)[C@@H]1CC[C@H]2C[C@@H]1CO2 1924616220 MNWPGIUECVYAKZ-JTGULSINSA-N 479.459 6.131 50 10 JKGE CC[C@@]12CC[C@@]([C@@H](Br)c3sc(Br)cc3Br)(CO1)C2 2082031556 KYCVNUOXOMWCGA-AVGNSLFASA-N 459.041 6.058 50 10 JKGE Fc1cc(Br)c(Cl)cc1[C@@H](Cl)c1cccc(Br)c1Br 2092327498 BKNXZRYKCARWSI-ZDUSSCGKSA-N 491.807 7.095 50 10 JKGE BrCc1cc(Br)ccc1N1CCC2(CCN(Cc3ccccc3)C2)CC1 2107029391 HDCSHKUHGVPMSX-UHFFFAOYSA-N 478.272 5.837 50 10 JKGE CN(Cc1ccccc1)C(C)(C)Cn1c(CCl)nc2cc(Cl)c(Br)cc21 2112702650 ZOJICKYKAUIFQO-UHFFFAOYSA-N 455.227 6.102 50 10 JKGE Fc1ccc(CC[C@@H](Br)c2ccc(Br)cc2)cc1Br 2113490274 AKJLBKKMDSMYAT-CYBMUJFWSA-N 450.971 6.420 50 10 JKGE O=S(=O)(c1cc(Cl)cc(CBr)c1Cl)N(Cc1ccccc1)CC(F)(F)F 2123270601 YLXHSYLSQMMAEP-UHFFFAOYSA-N 491.156 5.642 50 10 JKGE CCC(CC)(CBr)CN=[S@@](=O)(C(C)C)[C@H]1CCN(C(=O)OC(C)(C)C)C1 2126848957 GGRQJBHAVQXWQK-YHAMSUFESA-N 453.487 5.074 50 10 JKGE COc1sccc1[C@@H](Br)c1c(C)c(Br)cc(C)c1Br 2136373934 HIXTZWKUWUBBIS-CYBMUJFWSA-N 469.036 6.383 50 10 JKGE COc1cc(F)c([C@H](Cl)c2cc(Br)sc2Br)cc1Br 2138146831 SMPHPJGSKQCUEL-NSHDSACASA-N 493.417 6.512 50 10 JKGE Clc1c(Br)sc(Br)c1[C@H](Br)[C@H]1C[C@H]2COC[C@H](C2)C1 2141790574 OHBLVLFSDFNGBE-IBCQBUCCSA-N 493.486 6.425 50 10 JKGE Cc1cc(F)c(Cl)cc1[C@H](Cl)c1ccc(Br)cc1I 2142278654 GFDIACLNBAAMER-CQSZACIVSA-N 473.938 6.483 50 10 JKGE CC[C@](C)(Cn1c(CCl)nc2cc(I)c(F)cc21)N(C)Cc1ccccc1 2155095150 QTFCGSFODZWGMQ-OAQYLSRUSA-N 499.799 5.820 50 10 JKGE C[C@@H]1C[C@@H](C(F)(F)F)N(C[C@@H](CBr)C(C)(C)C)CCN1C(=O)OC(C)(C)C 2178265115 WPWZNHIJSRGMSF-KFWWJZLASA-N 459.391 5.306 50 10 JKGE Cc1ccc([C@H](Br)c2c(C)c(Br)cc(C)c2Br)c(F)c1 2201071410 FIABKQIDKIXSET-INIZCTEOSA-N 464.998 6.760 50 10 JKGE Cc1ccc(Br)c([C@@H](Cl)c2c(C)c(Br)cc(C)c2Br)c1 2201075398 CKLXMUBKXWJAOT-MRXNPFEDSA-N 481.453 7.228 50 10 JKGE Cc1c(Br)ccc([C@@H](Br)[C@@H]2[C@H]3CC[C@@H](C3)C2(C)C)c1Br 2203692302 MSNLKNXMUFNNPK-KFYUAXIPSA-N 465.067 7.028 50 10 JKGE Clc1cc(C[C@]2(CBr)CCCCC23CCC3)ccc1I 2208033847 RYQZNMXNMVXFGD-KRWDZBQOSA-N 467.616 6.613 50 10 JKGE Cc1sc(C(=O)N(Cc2ccccc2)[C@@H](CBr)C2CC2)c(Br)c1C 2215945206 DQOBAKMYUDEACO-INIZCTEOSA-N 471.258 5.943 50 10 JKGE Cc1cc(Br)cc(CBr)c1OCc1ncsc1Br 2219011388 SIPLVUVKMCTKDA-UHFFFAOYSA-N 455.997 5.450 50 10 JKGE Cc1cc(Br)c([C@@H](Cl)c2ccc(Br)o2)c(C)c1Br 2220156262 OHGALZRHQYNOEJ-ZDUSSCGKSA-N 457.387 6.512 50 10 JKGE FC1(F)C[C@]12C[C@@H]2[C@@H](Br)c1c(Br)cc(Cl)c(Cl)c1Cl 2224304391 IZDXYOYYCZZLLS-CPFXQGKDSA-N 455.351 6.891 50 10 JKGE C[C@H](Cl)c1nc2cc(Br)ccc2n1C[C@H]1CC1(Br)Br 2224804336 JRTUDLOFLGBUCM-JGVFFNPUSA-N 471.418 5.605 50 10 JKGE Cc1cc(Br)c([C@@H](Br)[C@]2(C)CCCCO2)c(C)c1Br 2227359504 ISLSIPBWJBLVFK-CABCVRRESA-N 455.028 6.224 50 10 JKGE CCc1sc(Br)cc1[C@H](Br)Cc1ccc(Br)cc1Cl 2229146811 CFRBCXZUFVIZNA-LLVKDONJSA-N 487.482 7.168 50 10 JKGE COc1ccccc1[C@@H](Br)c1c(Br)cc(Cl)c(Cl)c1Cl 2232510656 HQCWRHJNPXMMEA-GFCCVEGCSA-N 459.392 6.902 50 10 JKGE Fc1cc(Br)c(Br)cc1[C@@H](Cl)c1c(F)cc(Br)cc1F 2233971605 WRZPKTRNMSHSOE-CYBMUJFWSA-N 493.342 6.720 50 10 JKGE Cc1cc(Br)c([C@H](Br)c2cccc(Cl)c2F)c(C)c1Br 2235603879 LCSRJOFQYKWTBW-CQSZACIVSA-N 485.416 7.105 50 10 JKGE COc1ncc(CC(CBr)(CBr)c2cccc(Br)c2)s1 2239976415 YUSIASQBKZTWPE-UHFFFAOYSA-N 484.051 5.185 50 10 JKGE Clc1ccc(I)c(CN2[C@H](CBr)C[C@H]3CCCC[C@@H]32)c1 2240676087 WCEGNDZURGWSOC-WPGHFRTFSA-N 468.604 5.473 50 10 JKGE COc1ccc([C@H](Br)c2ccsc2Br)cc1I 2248894304 MERUPHMOXGWMCX-NSHDSACASA-N 487.982 5.608 50 10 JKGE Cc1sc([C@@H](Br)c2ccc(F)cc2Br)c(Br)c1C 2253472938 IEIBLJZIFSBBEM-LBPRGKRZSA-N 457.000 6.513 50 10 JKGE COc1cc(Cl)c(Cl)cc1[C@@H](Cl)c1cc(Br)sc1Br 2264372828 FPRINIMTWHZEHK-LLVKDONJSA-N 465.421 6.917 50 10 JKGE Cc1c(Br)ccc([C@H](Cl)c2cccc(Cl)c2Br)c1Br 2267974435 BTSIVUZLDGFJAT-CQSZACIVSA-N 487.844 7.264 50 10 JKGE Cc1c(Br)cccc1[C@H](Br)c1cc2sc(Br)cc2s1 2278104672 ZGWNELZOAHRJFS-AWEZNQCLSA-N 481.072 7.281 50 10 JKGE COc1ccc([C@@H](Br)c2ccc(Br)cc2Br)c(C)c1C 2284587562 CNFIGNWTNRCUQU-MRXNPFEDSA-N 463.007 6.321 50 10 JKGE COc1ccc([C@@H](Br)[C@H]2CCCC(C)(C)CC2)cc1I 2285011192 QGBHDFLFIYIBFD-LRDDRELGSA-N 451.186 6.342 50 10 JKGE COc1cc(C)c(Br)c(C)c1[C@@H](Br)c1ccccc1OCc1ccccc1 2285076025 ZEJDMMZJUUUHKZ-QHCPKHFHSA-N 490.235 7.138 50 10 JKGE Cc1ccc([C@@H](Cl)c2c(F)cc(Br)c(F)c2Br)c(Br)c1 2288352289 HDJWGQUNPAXDLS-CYBMUJFWSA-N 489.379 6.889 50 10 JKGE Cc1cccc(C[C@@H](Br)c2c(F)cc(Br)c(F)c2Br)c1 2288493176 PGCLZLSNISGZCQ-SNVBAGLBSA-N 468.961 6.477 50 10 JKGE CCOc1cc(C=C(C#N)C(=O)NCc2ccco2)ccc1OCCOc1ccccc1Cl 2293199818 IRRRGELRTBFTFX-UHFFFAOYSA-N 466.921 5.013 50 10 JKGE COc1cccc(C=C(C#N)C(=O)Nc2cc(Cl)ccc2C)c1OCc1cccc(C(=O)O)c1 2294171893 HTTUVBNETFFARB-UHFFFAOYSA-N 476.916 5.480 50 10 JKGE Cc1c(Br)ccc([C@@H](Br)c2ccc3scnc3c2)c1Br 2296082367 ZYFPCTXYENFPGD-HNNXBMFYSA-N 476.031 6.614 50 10 JKGE N#CC(=Cc1c(Oc2ccc(Cl)cc2Cl)nc2ccccn2c1=O)S(=O)(=O)c1ccccc1 2296544532 WTRIQTAEJNKKMD-UHFFFAOYSA-N 498.347 5.132 50 10 JKGE C=CCOc1ccc(-c2nn(-c3ccccc3)cc2C=C(C#N)C(=O)Nc2ccc(C)cc2)cc1C 2296730202 GLKWLPOSFHKTQC-UHFFFAOYSA-N 474.564 6.267 50 10 JKGE CCOC(=O)c1c(NC(=O)C(C#N)=Cc2ccccc2)sc2c1CCN(Cc1ccccc1)C2 2297400099 UPLOUFRFWYESQP-UHFFFAOYSA-N 471.582 5.029 50 10 JKGE C[C@]1([C@H](Br)c2ccc(OCc3ccccc3)cc2Br)CCCCO1 2299495631 RFNXVKTZGMAFQA-WOJBJXKFSA-N 454.202 6.423 50 10 JKGE C[C@@H]1CCCC[C@H]1[C@@H](Br)c1ccc(OCc2ccccc2)cc1Br 2299504899 RCXGGPWBFOFUBN-FQELHTAISA-N 452.230 7.290 50 10 JKGE Brc1cc(OCc2ccccc2)ccc1[C@@H](Br)[C@]12COC[C@H](C1)C2 2299526017 UAXRIADSODHJSC-CDHQVMDDSA-N 452.186 5.891 50 10 JKGE Clc1ccc([C@@H](Br)c2sc(Cl)cc2I)c(Cl)c1 2301084859 YHELOBMCDJOYNT-SNVBAGLBSA-N 482.395 6.797 50 10 JKGE COc1ccccc1[C@@H]1C(C#N)=C(N)Oc2cc(OC(=O)C=Cc3ccccc3Cl)ccc21 2314634280 WURBQQQKWFHFKG-VWLOTQADSA-N 458.901 5.186 50 10 JKGE COCc1ccc([C@H](Br)c2cccc(Br)c2Br)s1 2315105382 QVKQGKGLPQONAT-CYBMUJFWSA-N 455.009 5.904 50 10 JKGE CCCc1sc(Br)cc1[C@@H](Cl)c1cnn(C)c1I 2316181006 WDWGEUPAXIYTDM-LLVKDONJSA-N 459.578 5.129 50 10 JKGE Brc1ccc(I)cc1CO[C@@H]1CCCCC[C@H]1Br 2319215091 WDZIHHKLJVHDGB-ZIAGYGMSSA-N 488.001 5.667 50 10 JKGE O=C(CSc1nc(O)c2c(-c3ccc4c(c3)CCCC4)csc2n1)NN=Cc1ccccc1 2320488225 IJIDNESVDVYWCH-UHFFFAOYSA-N 474.611 5.185 50 10 JKGE CCCOc1ccc(C=NNC(=O)c2ccc3[nH]c4c(c3c2)CCCC4)cc1Br 2323150719 KTWGIOQDWJAXSB-UHFFFAOYSA-N 454.368 5.362 50 10 JKGE Cc1ccc(COc2ccccc2C=NNC(=O)c2ccc3nc(SC(C)C)[nH]c3c2)cc1 2323607756 ZOEQRQZNFUBBQJ-UHFFFAOYSA-N 458.587 5.715 50 10 JKGE CCOC(=O)c1c(NC(=O)C(C#N)=Cc2cccc(Br)c2)sc2c1CC[C@H](C)C2 2329699350 IEMFHNGXQHETDU-ZDUSSCGKSA-N 473.392 5.358 50 10 JKGE COc1cc(C=C(C#N)c2ccc(C(=O)OC(C)C)o2)cc(Br)c1OCc1ccccc1 2331049768 RMCWOPBTVDGRAA-UHFFFAOYSA-N 496.357 6.259 50 10 JKGE CN(C)c1ccc(C(O)=C(C#N)c2nc(-c3ccc(Cl)c(Cl)c3)cs2)cc1[N+](=O)[O-] 2331312001 SWBUWECVPSBXRO-UHFFFAOYSA-N 461.330 6.041 50 10 JKGE CC(C)Oc1ccc(CC(O)=C(C#N)c2nc(-c3ccc(Oc4ccccc4)cc3)cs2)cc1 2331358489 CRTNCOMQBPTWMS-UHFFFAOYSA-N 468.578 7.425 50 10 JKGE CCCCCCOc1ccc(C=C(C#N)c2nc(-c3ccc(OC)c(OC)c3)cs2)cc1OC 2331417373 KAWUIUWLEHXRNW-UHFFFAOYSA-N 478.614 6.859 50 10 JKGE CCCCOc1ccc(C=C(C#N)c2nc(-c3cc(C)c(OC)cc3C)cs2)cc1OCC 2331484648 WRYKXJFWJGWUCV-UHFFFAOYSA-N 462.615 7.077 50 10 JKGE CS[C@H]1C[C@@H](CC(CBr)(CBr)c2cccc(Br)c2)C1 2335739602 WTHDNKXZWRRDGH-VDISTLRHSA-N 471.096 6.008 50 10 JKGE Cc1ccc([C@H](Br)c2c(Cl)cc(Br)c(F)c2Br)cc1 2337092600 SNMIZYGSDRPQOT-LBPRGKRZSA-N 471.389 6.797 50 10 JKGE CO[C@H]1C[C@@H](C[C@@H](Br)c2c(C)cc(Br)c(F)c2Br)C1 2339685749 IFZUDGPVBFZHFP-KXUCPTDWSA-N 458.991 5.910 50 10 JKGE Clc1ccc(CO[C@@H]2C[C@H](Br)C23CCCC3)c(I)c1 2340110579 RHBNXKZGZSOLOC-UONOGXRCSA-N 455.561 5.557 50 10 JKGE Clc1ccc(I)cc1CN1CCC[C@H](CCCBr)C1 2352431795 LKZIAFNYKPGOGL-LBPRGKRZSA-N 456.593 5.332 50 10 JKGE Clc1cc(Br)c([C@@H](Br)[C@@H]2CC[C@@H]3C[C@H]2CO3)c(Cl)c1Cl 2359122569 CAKBHQMVRFBAGA-FCGKXJCRSA-N 463.424 6.660 50 10 JKGE Cc1nn(C)c2sc([C@@H](Cl)c3cc(Br)ccc3OCc3ccccc3)cc12 2361202568 BSJHDJXBFIUFDN-FQEVSTJZSA-N 461.812 6.613 50 10 JKGE FC(F)(F)[C@@H]1OC2([C@H](Cl)c3cc(Br)ccc3OCc3ccccc3)CC1C2 2361215675 VRCNKTKXWQBMON-HSOIFAIESA-N 461.705 6.418 50 10 JKGE FC(F)(F)[C@@H]1C[C@@H](Br)CCN1Cc1cc(Br)ccc1Br 2361431653 YLADHBJUSXWUQR-JQWIXIFHSA-N 479.960 5.502 50 10 JKGE Cc1cc(Br)c(F)c(Br)c1[C@H](Br)C1C[C@@H]2CC[C@H](C1)O2 2365180506 SFDYJYYZTAGCEA-NKDKAASFSA-N 471.002 6.053 50 10 JKGE COc1c(Br)cc(C)c([C@@H](Br)CCOCC(F)F)c1Br 2365184242 ONJJMXUHKSHFRF-QMMMGPOBSA-N 480.969 5.636 50 10 JKGE COc1c(Br)cc(C)c([C@H](Br)[C@H]2C[C@]23CC3(F)F)c1Br 2365214476 AVBASIVJLNVRMG-OHILOLKFSA-N 474.965 6.010 50 10 JKGE COc1c(Br)cc(C)c([C@H](Br)[C@H]2CCCC2(C)C)c1Br 2365231902 ORAUYMJMPXUEQI-ZWNOBZJWSA-N 469.055 6.791 50 10 JKGE Cc1cccc(Oc2nc3c(C)cccn3c(=O)c2/C=C(/C#N)S(=O)(=O)c2ccc(Cl)cc2)c1 2400760 ZYHIVNVEIWMLPY-STZFKDTASA-N 491.956 5.095 50 10 JKGE O=C(CNc1cccc2ccccc12)N/N=C/c1ccc(OC(=O)c2ccccc2Cl)cc1 3090227 HXWNXDVUZZFAEP-MUFRIFMGSA-N 457.917 5.275 50 10 JKGE CSc1nc(C)c(-c2csc(/C(C#N)=C/c3ccc(Br)cc3)n2)cc1C#N 9090720 JBUUQPCKXVSVKB-VGOFMYFVSA-N 453.390 5.934 50 10 JKGE C/C(=N\NC(=O)c1ccc(NC(=O)c2ccc(C(C)(C)C)cc2)cc1)c1ccc2ccccc2c1 12491909 QABXGFLCGWHHTA-UZWMFBFFSA-N 463.581 6.544 50 10 JKGE CCCCN(CCCC)Cc1ccc(C(=O)NNC(=S)Nc2c(CC)cccc2CC)o1 20734851 UJYVZBUWXHIWII-UHFFFAOYSA-N 458.672 5.438 50 10 JKGE Cc1cccc(NC(=O)/C(C#N)=C2/S[C@H](Cc3ccccc3Cl)C(=O)N2c2ccccc2C)c1 33914471 SYNUGUMXLWAXII-RDKICWGTSA-N 488.012 6.022 50 10 JKGE CCCOc1cccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4ccc(OCC)cc4)ccc32)c1 38684413 YJVRUCXNHKKCMY-SANMLTNESA-N 470.525 5.311 50 10 JKGE Cc1ccc2c(C)c(C(=O)Oc3ccc4c(c3)OC(N)=C(C#N)[C@@H]4c3cccc4ccccc34)oc2c1 38688543 FGAQZYFFLUWQKG-MUUNZHRXSA-N 486.527 6.640 50 10 JKGE C=CCOc1cccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4cccc(OCCCC)c4)ccc32)c1 40529908 ABRHGVSQVBWEHX-MUUNZHRXSA-N 496.563 5.868 50 10 JKGE Cc1c(C(=O)N2c3ccc(F)cc3CC[C@@H]2C)oc2c1/C(=N/NC(=O)Cc1ccccc1)CCC2 40815706 NUWWHAGNAHAWFP-VMRBLXROSA-N 473.548 5.108 50 10 JKGE O=C(CC[C@H](O)c1ccccc1)N/N=C\c1cc(Cl)c(OCc2ccc(F)cc2)c(Cl)c1 58889435 LZQZSBXWTQSGGJ-OADPBGPJSA-N 475.347 5.675 50 10 JKGE Cc1c(Br)c(/C=C(\C#N)C(=O)Nc2ccc(Cl)cc2Cl)c(C)n1-c1ccccc1 59105124 RYWWSXYVSZRSGG-XNTDXEJSSA-N 489.200 6.709 50 10 JKGE N#C/C(=C/c1cc(Cl)c(OCc2cccc([N+](=O)[O-])c2)c(Cl)c1)C(=O)Nc1ccc(O)cc1 59144249 BTPJMBHLBSFQCN-PXNMLYILSA-N 484.295 5.732 50 10 JKGE C=CCc1cc(/C=N/NC(=O)c2cc3ccccc3o2)cc(OC)c1OCc1cccc([N+](=O)[O-])c1 59680343 CWTLDXUMFYANRO-LQKURTRISA-N 485.496 5.421 50 10 JKGE Brc1cc([C@H](Br)[C@H]2COc3ccccc32)c(Br)s1 70391809 HRTVBETWUZOWLB-CABZTGNLSA-N 452.993 5.885 50 10 JKGE C[C@H](Cl)c1nc2cc(I)ccc2n1-c1ccc(Br)c(F)c1 97355376 BZNPVFNWEIACAA-QMMMGPOBSA-N 479.518 5.832 50 10 JKGE CC[C@]1(C)[C@@H](Cl)C[C@H]1Oc1c(Br)cc(Br)cc1Br 97646561 GLGYJASZJDJBHI-DMDPSCGWSA-N 461.419 6.149 50 10 JKGE C=CCNC(=O)/C(C#N)=C1\S[C@@H](Cc2cccc(Cl)c2Cl)C(=O)N1c1ccc(C)c(C)c1 101241963 VUPQKJXORQOMEI-JHMOUWFPSA-N 486.424 5.339 50 10 JKGE CCCCCCCCCCCCCCCCNc1ncnc(NNC(=O)c2ccccn2)c1N 101531875 AFDMKBKLMRAKEI-UHFFFAOYSA-N 469.678 6.104 50 10 JKGE C[C@H](/C=C(/C#N)c1nc(-c2cccs2)c(NC(=O)c2ccc(Cl)cc2)s1)c1ccccc1 102619428 SODJDTCBBZWDDH-BAACNHRGSA-N 476.026 7.488 50 10 JKGE Fc1cc([C@@H](Cl)c2cc(Br)ccc2Br)ccc1Br 109803157 JCSWBKPZKFTMDA-CYBMUJFWSA-N 457.362 6.441 50 10 JKGE Fc1ccc(C[C@@H](CBr)c2ccccc2Br)c(Br)c1 118665019 QQVFYJHOGVYSHW-NSHDSACASA-N 450.971 6.072 50 10 JKGE Fc1cccc(F)c1CC(CBr)(CBr)c1cccc(Br)c1 157754462 RERAUGXOYBQUAV-UHFFFAOYSA-N 482.988 5.998 50 10 JKGE Cc1ccc(C(=O)N[C@@H](NC(=S)Nc2ccc(Cl)c(Cl)c2)C(Cl)Cl)cc1 198698570 LPZYUUKBMLYWOW-HNNXBMFYSA-N 451.206 5.148 50 10 JKGE BrCc1cc(Br)c(OCCc2cccs2)c(Br)c1 232484642 LMIVVALIOQHBIR-UHFFFAOYSA-N 455.009 5.790 50 10 JKGE Clc1ccc(I)c([C@H](Br)c2cc(Cl)sc2Cl)c1 236069413 MOAOXUNOAFPHJW-JTQLQIEISA-N 482.395 6.797 50 10 JKGE CCCN(CCC)c1ccc(C=NNC(=O)/C(=C/c2cccs2)NC(=O)c2ccccc2)cc1 254290844 DZBFYOOCDYXUNP-OVIBLFPUSA-N 474.630 5.296 50 10 JKGE Cc1ccc(C(=O)Oc2ccc3ccccc3c2C=NNC(=O)COc2ccc3ccccc3c2)cc1 254393650 OAIWHJVVPJYZBU-UHFFFAOYSA-N 488.543 6.050 50 10 JKGE CCOc1ccccc1C=NNC(=O)c1cc(Br)ccc1OCc1ccccc1 254438992 HNNNITALMGDYGC-UHFFFAOYSA-N 453.336 5.191 50 10 JKGE CC(=NNC(=O)CSc1nnc(-c2ccccc2)n1-c1ccc(C)cc1)c1cccc2ccccc12 254501983 UOXLJKHOSJBWAF-UHFFFAOYSA-N 491.620 6.028 50 10 JKGE Cc1cccc2c1nc(CCl)n2-c1cc(Br)ccc1I 312498395 ZJJGSVDOIJVPLQ-UHFFFAOYSA-N 461.528 5.440 50 10 JKGE CC(C)(C)[Si](C)(C)OCCc1ccccc1[C@@H]1CCCCN(S(=O)(=O)c2ccccc2)C1 616604556 FRZOVZBGHOQZSB-HSZRJFAPSA-N 473.755 6.209 50 10 JKGE CC(C)(C)[Si](C)(C)OCc1cccc([C@H]2CNc3ccccc3N2S(=O)(=O)c2ccccc2)c1 616690681 COIKQBLNBTYHSC-AREMUKBSSA-N 494.733 6.571 50 10 JKGE CCC(CC)[C@@H](Br)CNC(=O)c1scc(Br)c1Br 705409900 PBAYVIQINLSVTA-QMMMGPOBSA-N 462.045 5.203 50 10 JKGE Clc1cc(Br)c(OCc2ccncc2Br)c(CBr)c1 708139894 TUDJKBYPVCOZJH-UHFFFAOYSA-N 470.386 5.734 50 10 JKGE O=C(c1cc(Br)sc1Br)N1[C@H]2CC[C@H]1CC(CBr)C2 719293911 LWJRCWHCFATUEZ-IUCAKERBSA-N 472.040 5.051 50 10 JKGE COc1ccc([C@@H](Br)c2cccc(F)c2I)c(Br)c1 721693132 SHZRWAFJMIZFFP-CYBMUJFWSA-N 499.943 5.686 50 10 JKGE CCOc1cc(C=NNC(=O)c2ccccc2-n2cccc2)ccc1OCc1cccc(Cl)c1 1084021466 DKOFXSYJUPWNRS-UHFFFAOYSA-N 473.960 5.872 50 10 JKGE COc1cc(C=NNC(=O)c2cc3ccccc3o2)cc(Br)c1OCc1ccc(F)cc1 1084119658 OSZWVMBKZBCYCK-UHFFFAOYSA-N 497.320 5.686 50 10 JKGE CCCCCCCC[Sn]1(CCCCCCCC)SC(=C(C#N)C#N)S1 1615943943 FNOKXYUFSWAMMY-UHFFFAOYSA-L 485.351 7.888 50 10 JKGE N#C/C(=C/c1c2ccccc2cc2ccccc12)c1nc(O)c2cc(Br)ccc2n1 1772724843 IYZJWHKHUBWSIM-ATVHPVEESA-N 452.311 6.468 50 10 JKGE Cc1c(C(=O)NCc2ccccc2)oc2c1C(=NNC(=O)c1cccc3ccccc13)CCC2 1772748666 SHSNOGVKNZWCGU-UHFFFAOYSA-N 451.526 5.142 50 10 JKGE CCCCCCCCCCCCC/C=C\[C@@H](O[Si](C)(C)C(C)(C)C)[C@H](CO)NC(=O)CCC 1848438923 HNPHXQSPYSMZTR-PPTSTDFASA-N 483.854 7.911 50 10 JKGE COc1ccc(-c2nn(-c3ccc(Cl)cc3)c3c2[C@@H](c2ccc(C(C)C)cc2)C(C#N)=C(N)O3)cc1 1865685608 KTFBWVGPFQZHQF-VWLOTQADSA-N 496.998 6.543 50 10 JKGE CCCc1nn(-c2cccc3ccccc23)c2c1[C@@H](c1ccc(Cl)c(Cl)c1)C(C#N)=C(N)O2 1865686045 PXFOHHSCFHQGRD-QHCPKHFHSA-N 475.379 6.503 50 10 JKGE N#CC1=C(N)Oc2c(c(C(F)(F)F)nn2-c2cccc(Cl)c2)[C@H]1c1ccc(Cl)cc1Cl 1865686424 VSMUICBTNGWAGV-HNNXBMFYSA-N 485.680 6.069 50 10 JKGE CCc1nn(-c2ccc(C)cc2)c2c1[C@@H](c1ccc(OCc3ccccc3)c(OC)c1)C(C#N)=C(N)O2 1865687291 NSTIDFBFEXQQDQ-MHZLTWQESA-N 492.579 5.549 50 10 JKGE CCCc1nn(Cc2ccccc2F)c2c1[C@@H](c1ccc(OCc3ccccc3)cc1)C(C#N)=C(N)O2 1865690337 OUWCRLKGAMEQSJ-MHZLTWQESA-N 494.570 5.820 50 10 JKGE CCOc1ccc([C@H]2C(C#N)=C(N)Oc3c2c(-c2ccccc2)nn3Cc2cccc(F)c2)cc1OC 1865695083 JKMAXJAWVCPWGH-VWLOTQADSA-N 496.542 5.363 50 10 JKGE CCN(CC)c1ccc([C@@H]2C(C#N)=C(N)Oc3c2c(C(F)(F)F)nn3-c2ccc(Cl)cc2)cc1 1865702293 RUFRFSJQAVBCAN-LJQANCHMSA-N 487.913 5.609 50 10 JKGE COCCCN1[C@@H](C)CN(c2cc(Nc3ccc(SC#N)cc3)nc(C(C)(C)C)n2)C[C@H]1C 1868342107 KQKCOWXYVPFSLI-KDURUIRLSA-N 468.671 5.026 50 10 JKGE CCCOc1ccc(-c2csc(/C(C#N)=C(\O)c3ccc(N(C)C)c([N+](=O)[O-])c3)n2)cc1 1872750106 WRIHASDXJXMLEG-PYCFMQQDSA-N 450.520 5.523 50 10 JKGE CCCCCCCOc1ccc(-c2csc(/C(C#N)=C(\O)CNC(=O)c3ccccc3)n2)cc1 1872753084 HBRNLCFEBIYUAB-BZZOAKBMSA-N 475.614 6.382 50 10 JKGE COc1ccc(/C=C/C(O)=C(\C#N)c2nc(-c3cc(Cl)cc(Cl)c3OC)cs2)cc1OC 1872754339 OBAJFMCAUYLTPL-SFAMBYDESA-N 489.380 6.649 50 10 JKGE COc1ccc(-c2csc(/C(C#N)=C(\O)c3c(Cl)ccc(Cl)c3OC)n2)cc1Cl 1872757731 UEERSVAHUXISAP-WQRHYEAKSA-N 467.761 6.737 50 10 JKGE COc1ccc(C)cc1-c1csc(/C(C#N)=C(\O)c2ccc3c(c2)C(=O)N(Cc2ccco2)C3=O)n1 1873921118 VZQCMCGQBUUGIK-FLFQWRMESA-N 497.532 5.466 50 10 JKGE BrCCCN(Cc1ccccc1)Cc1sccc1I 1888203920 UJSQEIBFFDBWNO-UHFFFAOYSA-N 450.183 5.140 50 10 JKGE O=C(COc1ccc(Cl)cc1Cl)N(Cc1ccccc1)[C@H](CBr)C1CC1 1915263671 ODQHWLUIOUTPFB-GOSISDBHSA-N 457.195 5.575 50 10 JKGE CC(C)[C@@H](CBr)N(Cc1ccccc1)S(=O)(=O)c1ccc2c(c1)CCCC2 1915324309 MDMXBPVXMLMNDE-JOCHJYFZSA-N 450.442 5.176 50 10 JKGE COc1c(C)cc(Br)c(C)c1[C@H](Br)c1cc(C)c(Br)o1 1917613265 UEQNNEQTEAUGIM-CYBMUJFWSA-N 466.995 6.223 50 10 JKGE Cc1c(Br)sc([C@@H](Br)c2csc3c2CCCC3)c1Br 1922894771 OETWDOHTDBTHAP-LBPRGKRZSA-N 485.104 7.006 50 10 JKGE Cc1c(Br)sc([C@H](Br)c2sccc2Cl)c1Br 1922935849 SSICPYWTBZRRBF-SSDOTTSWSA-N 465.457 6.781 50 10 JKGE Clc1c(Br)sc(Br)c1[C@H](Br)[C@H]1C[C@@H]2O[C@H]1[C@H]1C[C@@H]21 1923066966 XCOQKHFYBYKKKC-VUWVERDSSA-N 477.443 5.786 50 10 JKGE Cl[C@H](Cc1ncccc1Br)c1csc(Br)c1Br 1924885411 UCFYKZRMEFQISC-MRVPVSSYSA-N 460.416 5.953 50 10 JKGE Clc1c(Br)sc(Br)c1[C@H](Cl)c1csnc1Br 1925271447 RJSXQZGLONUMCR-SCSAIBSYSA-N 486.863 6.474 50 10 JKGE Clc1sc(Br)c(Cl)c1[C@H](Br)c1sccc1Br 1925569605 VPIKXUIHKPZGRS-YFKPBYRVSA-N 485.875 7.126 50 10 JKGE O[C@H](c1c(Br)c(Br)cc(Br)c1Br)[C@@H]1C[C@H]1Cl 1995047354 GNDWCFHDXKPEAA-NDOLSLFOSA-N 498.234 5.397 50 10 JKGE CC(C)C1([C@@H](Br)c2c(Br)sc(Br)c2Cl)CCC1 2017134792 LPEZLMQFJSKWSG-VIFPVBQESA-N 465.476 7.189 50 10 JKGE Cc1cc([C@H](Br)c2ccc(I)c(Br)c2)sc1C 2017987624 ALEACFLTLAQIPB-CYBMUJFWSA-N 486.010 6.216 50 10 JKGE FC(F)(F)CCC[C@@H](Cl)c1c(Br)sc(Br)c1Br 2022696721 AAIZSTIDGGAUCX-SCSAIBSYSA-N 479.381 7.048 50 10 JKGE N#CC(=Cc1ccc(OCc2ccccc2)c(OCc2ccccc2)c1)c1nc(O)c2ccccc2n1 2040488318 OLXVPJOMVCYXBX-UHFFFAOYSA-N 485.543 6.558 50 10 JKGE Cc1c(Br)sc([C@@H](Br)C2CCC(F)(F)CC2)c1Br 2057461127 OREZDBDXVNWOMJ-VIFPVBQESA-N 467.011 6.843 50 10 JKGE CCc1sc(Br)cc1[C@@H](Br)c1c(C)nn(C)c1Br 2065890093 ITWGLYKSKPFUMV-LLVKDONJSA-N 457.029 5.362 50 10 JKGE Brc1scc([C@@H](Br)Cc2ccc3c(c2)CCO3)c1Br 2112342287 MHIIFTMVZQJFGZ-NSHDSACASA-N 467.020 5.887 50 10 JKGE CCc1nc([C@@H](Br)c2cc(Cl)c(Br)cc2F)c(Br)s1 2113183634 UUNYTJMZOSSYQY-JTQLQIEISA-N 492.433 6.507 50 10 JKGE FC(F)c1ccc([C@@H](Cl)c2c(Br)sc(Br)c2Br)cc1 2116025516 NIMAZPBLJIFFBI-SECBINFHSA-N 495.408 7.301 50 10 JKGE O=C(c1cc(Br)c(Br)s1)N1C[C@H](Br)CCC12CCC2 2117903111 LVGPRDJRBGVOKM-MRVPVSSYSA-N 472.040 5.195 50 10 JKGE COc1cc(Cl)c([C@@H](Br)c2cc(C)sc2Br)cc1Br 2137662246 KGLJDAPJUUHZHK-GFCCVEGCSA-N 489.454 6.728 50 10 JKGE Cc1c(Br)cccc1[C@@H](Cl)c1ccc(Br)c(C)c1Br 2138863603 MPLGYUUZIGCQAP-OAHLLOKOSA-N 467.426 6.919 50 10 JKGE Cc1cc(F)c([C@@H](Cl)c2ccc(Br)cc2I)cc1Cl 2142292430 UFGLAPRNNNQZKZ-AWEZNQCLSA-N 473.938 6.483 50 10 JKGE COc1cc(F)c(Cl)cc1[C@@H](Br)c1cccc(I)c1 2142387319 ADKUCAGQCZGGQL-AWEZNQCLSA-N 455.492 5.577 50 10 JKGE Clc1c(Br)cccc1[C@@H](Br)c1cc(Br)c2c(c1)CCO2 2146628306 NKQHDPZFALEWKN-ZDUSSCGKSA-N 481.409 6.284 50 10 JKGE CCc1ccc([C@H](Br)c2cccc(Br)c2Br)cc1CC 2148750069 KIIORHYBMVVVRG-INIZCTEOSA-N 461.035 6.821 50 10 JKGE CC1(C)C[C@@H](n2c(CCl)nc3cc(Br)c(Cl)cc32)[C@@H]1OCc1ccccc1 2159872858 AEWXQTSCZGQEOQ-QUCCMNQESA-N 468.222 6.747 50 10 JKGE Clc1c(Br)sc(Br)c1[C@@H](Cl)[C@@H]1CC2(CCCCC2)CO1 2166261274 OLLREXNFAWXMAB-WPRPVWTQSA-N 463.062 6.946 50 10 JKGE Cn1nc([C@H](Br)c2cc(Br)c3c(c2)CCO3)c(Br)c1Cl 2167042656 QAOCJJTWUYKDGC-SECBINFHSA-N 485.401 5.018 50 10 JKGE C[C@H](c1nscc1Br)n1c(CCl)nc2cc(I)ccc21 2186645233 CYHPPRQHJTWHLB-SSDOTTSWSA-N 482.572 5.208 50 10 JKGE FCCOc1ccccc1[C@@H](Br)c1c(Cl)sc(Br)c1Cl 2189519488 XWCFIYBKQCDOSM-SNVBAGLBSA-N 462.993 6.650 50 10 JKGE C[C@](F)(CO[C@@](C)(CI)c1ccccc1Br)C(F)(F)F 2191876061 UDGBDNNFPOLANT-RYUDHWBXSA-N 469.054 5.406 50 10 JKGE BrCc1cc(Br)c(OC[C@H]2C[C@@H]2C2CCCC2)c(Br)c1 2200391156 PSBBUDMQFGNYHR-CHWSQXEVSA-N 467.039 6.312 50 10 JKGE CN(C[C@@H](Br)COCc1ccccc1)C(=O)c1cc(Cl)cc(C(F)(F)F)c1 2200837792 PDMWAKPBXDBDMC-MRXNPFEDSA-N 464.709 5.411 50 10 JKGE Cc1c([C@@H](Br)c2c(Br)cc(F)c(Cl)c2F)c(Br)nn1C 2201617815 GCJGJJZVZYVIMG-SECBINFHSA-N 493.371 5.669 50 10 JKGE COc1c(Cl)cc(Br)cc1[C@@H](Cl)c1cccc(C)c1I 2202998652 OAEBOABIFKQOJR-ZDUSSCGKSA-N 485.974 6.352 50 10 JKGE Clc1cc(Br)c([C@@H](Cl)c2nscc2Br)c(Cl)c1Cl 2217611070 PMKFNJYAVPFEKX-SECBINFHSA-N 470.828 6.957 50 10 JKGE Cc1sc(Br)c(C)c1[C@@H](Br)c1cc(Br)ccc1F 2218801499 VMTUONOCPLSAJA-LBPRGKRZSA-N 457.000 6.513 50 10 JKGE Fc1cc(Br)c(Br)cc1[C@H](Br)C12CCC(F)(CC1)C2 2225615983 BXGCOWADBOSRLI-HSBZDZAISA-N 458.966 6.459 50 10 JKGE Cc1cc(Br)c(C)c([C@H](Br)[C@@H]2CCC[C@H](C)O2)c1Br 2226869410 WSRFJVYKMOJASE-ONENECBXSA-N 455.028 6.222 50 10 JKGE Cc1ccc(I)c([C@@H](Br)[C@H](C)c2ccncc2Br)c1 2232216039 OQDKGDLAADBCHR-BMIGLBTASA-N 494.996 5.997 50 10 JKGE Fc1cc(Br)c(Br)cc1[C@@H](Br)[C@@H]1C(F)(F)C12CCCC2 2233981849 NWQQLSFAANELAV-NEPJUHHUSA-N 476.956 6.612 50 10 JKGE COc1cc([C@@H](Br)c2cc(Br)sc2Br)c(OC)cc1C 2236788285 QGHVQJCGYISNFW-CYBMUJFWSA-N 485.035 6.083 50 10 JKGE FC(F)(F)Oc1ccc(Cl)cc1[C@H](Br)c1cc(Br)cs1 2239624377 KGQTWLWFRMBSKK-NSHDSACASA-N 450.501 6.547 50 10 JKGE CCOc1ncc(COc2c(Br)cc(CBr)cc2Br)s1 2239976183 CIWBSTRZISGJDL-UHFFFAOYSA-N 486.023 5.541 50 10 JKGE CC(C)(C)OC(=O)NC[C@@](C)(CBr)OCc1cc(Br)ccc1Cl 2245931369 VGNDEVTVALLCSI-MRXNPFEDSA-N 471.617 5.297 50 10 JKGE Clc1ccc(I)cc1Oc1cccc(Cl)c1CBr 2259930435 OZNPODGPLJERKG-UHFFFAOYSA-N 457.920 6.285 50 10 JKGE COc1ccc([C@H](Br)c2cc(Cl)ccc2I)c(C)c1C 2284532919 DMLVDQUVBAJWSM-INIZCTEOSA-N 465.556 6.054 50 10 JKGE N#CC(=Cc1ccc(OCC(=O)Nc2ccccc2)c(Br)c1)c1cccc(F)c1 2294284764 SPDRIMIARIRTOO-UHFFFAOYSA-N 451.295 5.670 50 10 JKGE CCn1c2ccccc2c2cc(NC=C(C#N)c3nc(-c4ccc(Cl)cc4)cs3)ccc21 2295945824 AIKIVKOPOKNDME-UHFFFAOYSA-N 454.986 7.568 50 10 JKGE Brc1cc(OCc2ccccc2)ccc1[C@H](Br)[C@@]12CCCC[C@@H]1C2 2299496791 VNOTUPLPLGJDTG-TYCQWZJGSA-N 450.214 7.044 50 10 JKGE Brc1cc(OCc2ccccc2)ccc1[C@H](Br)[C@@H]1[C@@H]2CCCO[C@H]21 2299532325 FYAFMWGLUOVBOT-FRYIKTPZSA-N 452.186 5.889 50 10 JKGE ClC[C@@H](Br)[C@@H](CCl)OCc1ccc(Cl)cc1I 2301825008 IDDGXUBODKTIMF-MWLCHTKSSA-N 472.375 5.071 50 10 JKGE Brc1cc(OCc2ccccc2)ccc1[C@H](Br)[C@H]1C[C@@H]2O[C@H]1[C@H]1C[C@@H]21 2314456279 VVQDKKVONHBDMF-INWOFZLFSA-N 464.197 5.888 50 10 JKGE Cc1cc([C@@H](Cl)c2cc(Br)ccc2OCc2ccccc2)ccc1Br 2314503128 PGVDVVZNEAWREA-OAQYLSRUSA-N 480.627 7.427 50 10 JKGE Cc1c(Cl)sc(Cl)c1[C@H](Cl)c1ccc(Cl)c(I)c1 2314504581 AINZLCNAVFPJSI-SNVBAGLBSA-N 451.971 6.950 50 10 JKGE COc1ccc(N2C(=O)[C@H](Cc3cccc(C)c3)SC2=C(C#N)C(=O)N[C@@H](C)c2ccccc2)cc1 2314593804 TZGAHOWETQTCMD-FNZWTVRRSA-N 497.620 5.307 50 10 JKGE CCc1ccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)C=Cc4ccccc4Cl)ccc32)cc1 2314634357 HTFLUZLBSKWIJY-AREMUKBSSA-N 456.929 5.739 50 10 JKGE C=CCOc1ccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)C=Cc4ccc(C)cc4)ccc32)cc1OC 2314634396 MHFOMZFLIZIUOO-LJAQVGFWSA-N 494.547 5.405 50 10 JKGE Brc1ccc(I)cc1CO[C@@H]1CCCCC[C@@H]1Br 2319226941 WDZIHHKLJVHDGB-UONOGXRCSA-N 488.001 5.667 50 10 JKGE COc1cc(C=C(C#N)c2cccc(Cl)c2)ccc1OC(=O)CC(c1ccccc1)c1ccccc1 2320506860 SWTTULAFCZUKQI-UHFFFAOYSA-N 493.990 7.540 50 10 JKGE CCOc1cc(C=NNC(=O)c2ccccc2N)ccc1OCc1c(Cl)cccc1Cl 2323203040 MMPABEVPNXWWKU-UHFFFAOYSA-N 458.345 5.317 50 10 JKGE O=C(NN=Cc1ccc(Cl)c(Cl)c1)c1ccc(Nc2nc(O)c3ccccc3n2)cc1 2323766714 MNSLXADJVPHQFO-UHFFFAOYSA-N 452.301 5.150 50 10 JKGE CCCCOC(=O)c1ccccc1NC=C(C#N)C(=O)N[C@H](CC)c1ccc2c(c1)CCCC2 2325081413 JRZQQGSDBVMMDP-RUZDIDTESA-N 459.590 5.609 50 10 JKGE C[C@H](Br)[C@H]1CCCCN1Cc1ccc(I)c(Br)c1 2325214582 PUDBHJMUUHFVOU-IINYFYTJSA-N 487.017 5.192 50 10 JKGE COCCOc1ccc(C=C(C#N)C(=O)Nc2sc3c(c2C(=O)OC)CC[C@H](C(C)(C)C)C3)cc1 2331123723 LKEDEVKSLQQFDQ-IBGZPJMESA-N 496.629 5.257 50 10 JKGE CC(C)CN1C(=O)c2ccc(C(O)=C(C#N)c3nc(-c4cccc(Cl)c4)cs3)cc2C1=O 2331293886 OAUTULKXYVDNSW-UHFFFAOYSA-N 463.946 5.665 50 10 JKGE Cc1cc(-c2csc(C(C#N)=C(O)c3ccc4c(c3)C(=O)N(c3ccc(F)cc3)C4=O)n2)ccc1F 2331322597 QGICYRDDCDSCFW-UHFFFAOYSA-N 499.498 6.147 50 10 JKGE COc1ccc(-c2csc(C(C#N)=C(O)[C@H](CC(C)C)N3C(=O)c4ccccc4C3=O)n2)cc1F 2331336998 PISUDNFOMVHJDL-NRFANRHFSA-N 491.544 5.461 50 10 JKGE COc1ccc(OCC(O)=C(C#N)c2nc(-c3c(C)c(C)cc(C)c3C)cs2)c(C(C)(C)C)c1 2331364569 KUUHWSWNEGQHPS-UHFFFAOYSA-N 476.642 7.222 50 10 JKGE COc1ccc(OC)c(C=CC(O)=C(C#N)c2nc(-c3ccc(OC)c(OC)c3OC)cs2)c1 2331412796 IOVTZLAJRGYJIL-UHFFFAOYSA-N 480.542 5.359 50 10 JKGE CCOc1cc(C=C(C#N)c2nc(-c3cccc([N+](=O)[O-])c3)cs2)ccc1OCc1ccc(C)cc1 2331414431 GALYBAPLCPFVAB-UHFFFAOYSA-N 497.576 7.069 50 10 JKGE COc1cc(C=C(C#N)c2nc(-c3ccc(C)c(C)c3)cs2)ccc1OCCN1CCOCC1 2331472667 MFEQLGOCILOIQA-UHFFFAOYSA-N 475.614 5.211 50 10 JKGE ClCc1ccc(OCc2cc(Br)cc(Br)c2)c(Br)c1 2337071706 WCZOGGLPBJZVQX-UHFFFAOYSA-N 469.398 6.292 50 10 JKGE COc1ccc([C@@H](Br)c2cnsc2Br)c(OC)c1Br 2337303553 JECVYXUTZRVQEQ-SECBINFHSA-N 471.996 5.170 50 10 JKGE CCCc1sc(Br)cc1[C@H](Br)c1c(Br)nc(C)n1C 2338021575 UDKMHKFKGSBZBH-NSHDSACASA-N 471.056 5.752 50 10 JKGE C[C@@H](CCCCCBr)NC(=O)c1ccc(Cl)cc1I 2340053668 DANAVFOPIOHHQC-JTQLQIEISA-N 458.565 5.018 50 10 JKGE Cl[C@@H]1CCC[C@@]12CCN(Cc1ccc(I)c(Br)c1)C2 2349861412 XILUKRLAISSTCC-CABCVRRESA-N 454.577 5.037 50 10 JKGE Fc1cc(Br)c(F)c(Br)c1[C@H](Br)[C@H]1O[C@H]2CC[C@H]1C2 2352538144 DMQXOTXYCVBLSX-FHEFOSMESA-N 460.938 5.493 50 10 JKGE Clc1ccc(I)c(CN2[C@H]3CCCC[C@H]3C[C@@H]2CBr)c1 2358955444 WCEGNDZURGWSOC-PEYYIBSZSA-N 468.604 5.473 50 10 JKGE CC1(C)CC([C@@H](Br)c2cc(Br)ccc2OCc2ccccc2)CC(C)(C)C1 2361204503 HQGIUFAENJRPHM-JOCHJYFZSA-N 494.311 8.317 50 10 JKGE Fc1c(Br)cc(Cl)c([C@H](Br)[C@H]2CCC[C@H]2C(F)F)c1Br 2362226284 YGRLTYMCBTVUQS-BAJZRUMYSA-N 499.390 7.122 50 10 JKGE Fc1c(Br)cc(Cl)c([C@@H](Br)C[C@H]2C[C@H]3CC[C@H]2C3)c1Br 2362255324 PJNDTJRCQSRVAD-QEYWKRMJSA-N 489.448 7.266 50 10 JKGE Cc1cc(Br)c([C@H](Br)c2ccc(F)c(C)c2Cl)cc1Br 2364114435 LCJFAWHYMNDYNZ-CQSZACIVSA-N 485.416 7.105 50 10 JKGE Cc1cc(Br)c(F)c(Br)c1[C@H](Br)c1ccc([N+](=O)[O-])o1 2365180358 SAEJOEJRIACJSE-SNVBAGLBSA-N 471.902 5.645 50 10 JKGE CCOC1CC(C[C@@H](Br)c2c(C)cc(Br)c(F)c2Br)C1 2365181137 UYJIFTILLBUJMO-VQXHTEKXSA-N 473.018 6.300 50 10 JKGE COc1cc(Cl)c(CBr)c(N2C[C@H](C)CN(Cc3ccccc3)C[C@@H]2C)c1 2365803873 BBBPXWCBHBPYAO-SJORKVTESA-N 451.836 5.590 50 10 JKGE CCC(CC)(CBr)CN1C[C@@H]2CC(F)(F)CC[C@@]2(NC(=O)OC(C)(C)C)C1 2370175593 RGQGDDPJQQJUHS-HNAYVOBHSA-N 453.412 5.202 50 10 JKGE Cc1ccc(C[C@H]2S/C(=C(\C#N)C(=O)Nc3ccccc3)N(c3ccc(C)cc3)C2=O)cc1 1887968 RKDWDPHLCUUFOK-GUNDDFSMSA-N 453.567 5.368 50 10 JKGE CCCCCC/C(=N/NC(=O)CNc1ccc(Cl)cc1Br)c1ccccc1 20074869 MOSRBQWVPYZURP-PLRJNAJWSA-N 450.808 6.005 50 10 JKGE N#C/C(=C/c1cn(-c2ccccc2)nc1-c1ccccc1)c1nc(-c2cc3ccccc3oc2=O)cs1 35519323 SQKGFQPYHPVQQD-JCMHNJIXSA-N 498.567 6.833 50 10 JKGE C=CCN1C(=O)C(C#N)=C(C)/C(=C\c2ccc(OCc3ccccc3Cl)c(OCC)c2)C1=O 38607779 GUBKJDGYKQEBAI-DEDYPNTBSA-N 462.933 5.096 50 10 JKGE C=CCOc1ccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4ccccc4Cl)ccc32)cc1 38658016 YAVXDAUPGKSSJE-DEOSSOPVSA-N 458.901 5.342 50 10 JKGE CCOc1cccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4oc5c(C)c(C)ccc5c4C)ccc32)c1 38701231 XTHBMYIFXRQCDE-AREMUKBSSA-N 494.547 6.194 50 10 JKGE Cc1ccc(C)c(NC(=O)/C(C#N)=C\c2c(Oc3ccccc3Cl)nc3ccccn3c2=O)c1 39858671 ZILQYMWBSQIKDW-JXAWBTAJSA-N 470.916 5.303 50 10 JKGE N#C/C(=C\c1ccc(-c2cccc(C(F)(F)F)c2)o1)C(=O)Nc1cc(C(F)(F)F)ccc1Cl 39884853 PFLWYOSOZOXTGW-UKTHLTGXSA-N 484.783 7.183 50 10 JKGE Cc1cc(OCC(=O)NNC(=O)COc2ccc(C(C)(C)CC(C)(C)C)cc2)cc(C)c1Cl 40844450 LXNLMFFFLINDDH-UHFFFAOYSA-N 475.029 5.276 50 10 JKGE Cc1cc(/C=C(\C#N)C(=O)Nc2ccc(Cl)c(Cl)c2)c(C)n1-c1cc(C(=O)O)cc(C(=O)O)c1 59678734 CLFKVXFMKOVGNE-UBKPWBPPSA-N 498.322 5.343 50 10 JKGE CC(=O)c1ccc(-c2ccc(/C=N/NC(=O)c3cc4cc(Br)ccc4o3)o2)cc1 59680310 UNDOFFSPLVHEJA-WYMPLXKRSA-N 451.276 5.422 50 10 JKGE Cc1cc(-c2nn(-c3ccccc3)cc2/C=C(/C#N)C(=O)NC[C@H]2CCCO2)ccc1OCCC(C)C 102679115 RLJJPSYUXMVODY-ZEKHAJRLSA-N 498.627 5.475 50 10 JKGE COc1cc(Br)c([C@@H](Br)c2ccc(Br)cc2Cl)cc1OC 109860158 LJPDNCIWOPRAPN-HNNXBMFYSA-N 499.424 6.367 50 10 JKGE COc1cc(CBr)cc(Cl)c1OCc1ccc(I)cc1 115901805 OHVXUUXBSXYQHH-UHFFFAOYSA-N 467.528 5.427 50 10 JKGE Fc1ccc([C@@H](Br)c2cc(Cl)c(Br)s2)c(Br)c1 127551077 KXRYNTLPWRFGKK-SNVBAGLBSA-N 463.391 6.550 50 10 JKGE Brc1ccc(Br)c([C@@H](Br)Cc2nc3ccccc3o2)c1 161325934 CJXHFTMYPHUZCC-LBPRGKRZSA-N 459.963 6.032 50 10 JKGE CCCCCCOc1ccc(/C=C(/C#N)C(=O)Nc2sc3c(c2C(=O)OC)CCCC3)cc1OC 206238054 OTQZSUIBKAAUDT-CYVLTUHYSA-N 496.629 5.927 50 10 JKGE COC(=O)c1c(NC(=O)/C(C#N)=C\c2ccc(-c3ccccc3[N+](=O)[O-])o2)sc2c1CCCC2 209397434 DESYHAGFTRJWEA-OWBHPGMISA-N 477.498 5.127 50 10 JKGE CCOc1ccc([C@@H](Br)c2ccc(I)cc2)cc1Br 228996867 XTUFPJTUONNLCC-HNNXBMFYSA-N 495.980 5.937 50 10 JKGE Clc1ccc(Br)c([C@@H](Cl)c2cc(Br)sc2Br)c1 236039126 IBEOWFWEMKXJKP-SNVBAGLBSA-N 479.846 7.017 50 10 JKGE Clc1cc([C@H](Br)c2ccc(Br)c3ccccc23)c(Cl)s1 236076257 HJURWTHURIVQAO-CQSZACIVSA-N 451.010 7.455 50 10 JKGE Clc1cc([C@H](Br)c2csc3c(Br)cccc23)c(Cl)s1 236076292 YIKRWKQQBXDQDG-NSHDSACASA-N 457.039 7.516 50 10 JKGE Fc1ccc([C@@H](Br)c2ccc(Cl)c(Cl)c2)c(I)c1 236178756 QVPKPISOOBNTHL-ZDUSSCGKSA-N 459.911 6.221 50 10 JKGE Fc1cc(F)c([C@H](Cl)c2cc(Br)ccc2I)cc1F 236263223 CSDDPFFJPMDOKK-ZDUSSCGKSA-N 461.446 5.799 50 10 JKGE CC[C@]1(C)[C@H](Br)C[C@H]1Oc1c(I)cc(Cl)c2cccnc12 251336146 YWCMURWPHGBESL-XJKCOSOUSA-N 480.571 5.824 50 10 JKGE CCOc1c(Br)cc(C=NNC(=O)[C@@H](C)Sc2nc3ccccc3s2)cc1OC 254702904 IEJVSZSYCXXCHO-GFCCVEGCSA-N 494.436 5.097 50 10 JKGE CC(=O)O[C@@H]1CC[C@]2(C)C3=CC(=O)[C@]4(C)[C@H]([C@H](C)CC[C@@H](C)C(C)C)CC[C@@H]4[C@@]34CC[C@@]2(C1)OO4 254839226 FNOFNCIBAJVYBM-RUNPOIFNSA-N 486.693 6.592 50 10 JKGE Cc1cc([C@H]2CN(C(=O)OC(C)(C)C)C[C@@H]2CI)ccc1Br 382725743 QDVDRVFBTBYBLH-UONOGXRCSA-N 480.184 5.143 50 10 JKGE Fc1ccc(Cl)cc1[C@H](Br)c1cc(I)cc2c1OCC2 383243610 CHKOJIDEPPSJMT-AWEZNQCLSA-N 467.503 5.503 50 10 JKGE CC(C)(C)OC(=O)N1CCC[C@](CI)(O[C@@H]2C[C@H]3CC[C@@]2(C)C3(C)C)C1 387936290 BMNKTXGUQWQONL-IMAQQZIHSA-N 477.427 5.423 50 10 JKGE CN(c1cccc(Br)c1CBr)[C@@H]1CCCN(Cc2ccccc2)C1 394706843 MWFIUBSGBNJNKB-QGZVFWFLSA-N 452.234 5.445 50 10 JKGE C[C@H]1C[C@@H](n2c(CCCl)nc3cc(I)c(F)cc32)CN1Cc1ccccc1 398227787 VMQALFFFVFARLQ-GOEBONIOSA-N 497.783 5.397 50 10 JKGE C[C@@H](COc1c(Br)cc(CBr)cc1Br)CC(F)(F)F 402920688 IICLLVPNHKTWLD-SSDOTTSWSA-N 468.933 6.074 50 10 JKGE C[C@H](Br)C[C@H]1CCCCCN1Cc1cc(Cl)ccc1I 405198748 DMSUMSUPCAOXQH-SWLSCSKDSA-N 470.620 5.863 50 10 JKGE CC(C)c1ccc([C@@H](Br)c2scc(Br)c2Br)cc1 705423804 GMOAPAWRWSRIKG-GFCCVEGCSA-N 453.037 6.881 50 10 JKGE COc1cc(F)c([C@@H](Br)c2scc(Br)c2Br)cc1OC 705465097 QFINQQPIXWQDQA-LLVKDONJSA-N 488.998 5.914 50 10 JKGE Cc1sc([C@@H](Cl)c2ccc(I)c(Cl)c2)c(C)c1Br 724985677 UCWQNILOWYTTEA-LBPRGKRZSA-N 476.004 6.714 50 10 JKGE FC(F)(F)Sc1cccc2sc(CBr)c(I)c12 725283626 GRJZVAQBQJAZJS-UHFFFAOYSA-N 453.086 6.013 50 10 JKGE COc1ccc(C(=O)Oc2ccc(/C=C(/C#N)C(=O)Nc3cccc(Cl)c3Cl)cc2OC)cc1 1084189030 CKKSBOYFBDISBN-ATVHPVEESA-N 497.334 5.775 50 10 JKGE Cc1c(C=NNC(=O)c2ccc(CSc3ccccc3)cc2)c(Cl)nn1-c1ccccc1 1084272477 HUEVZENIBCMFGC-UHFFFAOYSA-N 460.990 5.890 50 10 JKGE N#C/C(=C\c1ccc(OCc2ccc3ccccc3c2)cc1)C(=O)NCCc1c[nH]c2ccccc12 1084602816 ONZOTNYDGLNJEC-WPWMEQJKSA-N 471.560 6.166 50 10 JKGE CCCCCCOc1ccc([C@@H]2CN(Cc3ccccc3)C[C@H]2CI)cc1 1614620767 VUFMDEYNMMOPNK-VWNXMTODSA-N 477.430 6.296 50 10 JKGE Clc1ccc(Oc2cccc(C[P+](c3ccccc3)(c3ccccc3)c3ccccc3)c2)nc1 1615216266 IXIUMWDJBUFNHT-UHFFFAOYSA-N 480.955 7.021 50 10 JKGE Cc1c(C(=O)Nc2cccnc2)oc2c1C(=NNC(=O)c1ccc(Cl)cc1Cl)CCC2 1772748587 RLGARHKISJMOBC-UHFFFAOYSA-N 457.317 5.013 50 10 JKGE COc1cc(C=NNC(=O)COc2cc(C)ccc2C)ccc1OCc1ccccc1Cl 1772754635 MIDJCMQYFATUBT-UHFFFAOYSA-N 452.938 5.074 50 10 JKGE N#CC1=C(N)Oc2c(c(-c3ccccc3)nn2-c2ccc(Cl)cc2)[C@@H]1c1ccc(Cl)cc1 1865683065 FFLAPJZHNYXUTH-OAQYLSRUSA-N 459.336 6.064 50 10 JKGE N#CC1=C(N)Oc2c(c(-c3ccccc3)nn2-c2ccc(Br)cc2)[C@@H]1c1ccc(O)cc1 1865683429 DDTNPJIBGIHOQA-OAQYLSRUSA-N 485.341 5.226 50 10 JKGE COc1ccc2ccccc2c1[C@@H]1C(C#N)=C(N)Oc2c1c(-c1ccccc1)nn2-c1ccccc1 1865688443 SBBSYCRCJODRIB-SANMLTNESA-N 470.532 5.919 50 10 JKGE CCCCCCOc1ccc([C@@H]2C(C#N)=C(N)Oc3c2c(CCC)nn3CC(C)C)cc1OC 1865695471 DBLMATMTNFUWCK-XMMPIXPASA-N 466.626 5.677 50 10 JKGE C/C(=N/NC(=O)c1ccc(-c2ccc(Cl)cc2Cl)nc1C)c1ccc2c(c1)CCCC2 1865763636 VOSHZSCZAZHBTG-FDVSRXAVSA-N 452.385 6.397 50 10 JKGE CC(C)[C@@H](CC(=O)N[C@@H](C(=O)Nc1ccc(SC#N)cc1)c1ccccc1)c1ccc(F)cc1 1866749248 RGZURGOXBCJSAD-AOYPEHQESA-N 475.589 6.025 50 10 JKGE Cc1ccc(-c2nc(Nc3ccc(SC#N)cc3)cc(N3CCC[C@@H](Oc4ccccc4)C3)n2)cc1 1868320577 LDDJYXRNBZVSJT-RUZDIDTESA-N 493.636 6.817 50 10 JKGE COc1cc(/C=C(\C#N)c2cc3c(cc2[N+](=O)[O-])OCCO3)ccc1OCc1ccccc1F 1872728781 SXFFAULLUYZRBU-VCHYOVAHSA-N 462.433 5.157 50 10 JKGE CC(C)(C)c1ccc(-c2csc(/C(C#N)=C(\O)CCCOc3ccccc3Cl)n2)cc1 1872750662 JIYUTMSXITVLKT-QOCHGBHMSA-N 453.007 7.413 50 10 JKGE CCc1ccc(OCCC/C(O)=C(\C#N)c2nc(-c3cc(Cl)cc(C)c3OC)cs2)cc1 1872756960 JRPKJFYCGMTLHI-LNVKXUELSA-N 469.006 6.995 50 10 JKGE COc1cc(/C=C(\C#N)c2nc(-c3ccc(Cl)cc3)cs2)ccc1OCc1ccc(Cl)cc1 1872790304 YPJYHDCXIHLEGS-UDWIEESQSA-N 493.415 7.769 50 10 JKGE CCCOc1c(Br)cc(/C=C(\C#N)c2nc(-c3ccc4c(c3)OCO4)cs2)cc1OC 1872792207 LJOLUOPXQVTAHJ-FRKPEAEDSA-N 499.386 6.163 50 10 JKGE CCN(CC)c1ccc(/C=C(\C#N)c2nc(-c3cc(Cl)c(OC)c(Cl)c3)cs2)cc1 1872794512 GMCSJVSTMGVNEC-LICLKQGHSA-N 458.414 7.036 50 10 JKGE Clc1cc([C@H](Br)c2cc(Br)ccc2OCc2ccccc2)cs1 1899877365 QWGTYZLRCIPEJD-SFHVURJKSA-N 472.629 7.227 50 10 JKGE Cc1ccc([C@H](Br)c2cc(Br)ccc2OCc2ccccc2)s1 1899892116 JDNWMUMBBYHWSO-LJQANCHMSA-N 452.211 6.882 50 10 JKGE CCOc1cc(Cl)c([C@H](Br)c2c(C)nsc2Br)cc1Cl 1912983450 ZYPHIKSKYAXHLK-LBPRGKRZSA-N 460.018 6.404 50 10 JKGE COc1ccc(Br)cc1CN(Cc1ccccc1)[C@@H](CBr)C1CC1 1915217508 QLDIUQLCYFTPCN-IBGZPJMESA-N 453.218 5.633 50 10 JKGE Brc1cccc(Br)c1CN1CC[C@]2(CCC[C@H]2Br)C1 1918937026 UGWASWPOLLEVFU-HUUCEWRRSA-N 452.028 5.351 50 10 JKGE Cc1c(Br)sc([C@H](Br)c2cc(Cl)ccc2Cl)c1Br 1922898302 UNODQLJVPDLTGA-SNVBAGLBSA-N 493.873 7.373 50 10 JKGE COc1ccc(Cl)cc1[C@H](Br)c1sc(Br)cc1Br 1922944958 BFYIIWBCGPYWSA-NSHDSACASA-N 475.427 6.419 50 10 JKGE Clc1c(Br)sc(Br)c1[C@@H](Br)c1cccc2ccccc12 1923072175 NITJCWMKYZIARI-LBPRGKRZSA-N 495.461 7.564 50 10 JKGE Cl[C@H](c1c(Br)sc(Br)c1Br)[C@H]1C[C@]12CCOC2 1950631856 QDAHDWAUDFLWMS-ZXHVRRQWSA-N 465.432 5.742 50 10 JKGE COC1CC2(C1)CC([C@@H](Br)c1cc(Br)sc1Br)C2 2038903419 LTMWXXUZUZYUMD-FGCOCLGUSA-N 459.041 5.914 50 10 JKGE CC(C)c1ccccc1Cn1nc(CBr)c(I)c1C(F)(F)F 2079251521 UYZXQMFPVDLJLY-UHFFFAOYSA-N 487.101 5.573 50 10 JKGE CC(C)[C@@H]1CC[C@@H](Br)[C@H](Cc2ccc(Br)cc2Br)C1 2092268121 UYUCYDCJYAUDRR-OSAQELSMSA-N 453.056 6.590 50 10 JKGE Fc1cc(Cl)c(Br)cc1[C@H](Br)c1cc(Br)ccc1Cl 2097836311 YVLLYRQASPSRLT-CYBMUJFWSA-N 491.807 7.142 50 10 JKGE FC1(F)C[C@]12CC[C@H]([C@@H](Br)c1c(Br)sc(Br)c1Cl)C2 2099915928 PKTHQFRVTGNXSR-AODONOJDSA-N 499.440 7.188 50 10 JKGE C[C@@H](CCOCc1ccccc1)n1c(CCCl)nc2cc(Cl)c(Br)cc21 2112701906 PUMRCEOUMOVEIA-AWEZNQCLSA-N 456.211 6.401 50 10 JKGE CCCc1nc(C[C@@H](Br)c2ccccc2Br)c(Br)[nH]1 2113442520 RWXYGBCDEHYXRU-LLVKDONJSA-N 451.000 5.566 50 10 JKGE C[C@@]12CN(Cc3ccccc3)C[C@@H]1CN(c1cc(Br)cc(F)c1CBr)C2 2114267929 QCFRXCSYBRUNPE-IERDGZPVSA-N 482.235 5.441 50 10 JKGE COc1cc(Br)c([C@@H](Br)c2cc(Br)cs2)cc1OC 2115923643 IHAJIEWVJXXUHI-CYBMUJFWSA-N 471.008 5.775 50 10 JKGE O=C(c1cc(Br)ccc1[N+](=O)[O-])N(Cc1ccccc1)[C@@H](CBr)C1CC1 2129200443 UPSDYHYNSZRASH-SFHVURJKSA-N 482.172 5.173 50 10 JKGE Fc1ccc([C@@H](Br)c2cc(Cl)c(F)cc2Cl)c(I)c1 2139426858 RFALWEFEAGXHFC-CYBMUJFWSA-N 477.901 6.361 50 10 JKGE Cc1cccc(C(CBr)(CBr)Cc2csc(Br)c2)c1 2139780489 OLMLPJAYZPWJJH-UHFFFAOYSA-N 467.064 6.089 50 10 JKGE C[C@H](Cl)c1nc2cc(Br)c(Cl)cc2n1[C@H]1[C@@H]2CN(Cc3ccccc3)C[C@@H]21 2160084025 OXXGJAJNFYMHCM-XSRSJLKASA-N 465.222 6.055 50 10 JKGE ClCCc1nc2cc(Cl)c(Br)cc2n1C[C@H]1CCN(Cc2ccccc2)C1 2169015132 IMNCDDWTJGAVLR-INIZCTEOSA-N 467.238 5.756 50 10 JKGE FC1(F)C2(CC2)C12CC([C@H](Cl)c1c(Br)sc(Br)c1Cl)C2 2183919521 DLSQAKRUCXKYHS-GEHMTYFCSA-N 467.000 7.032 50 10 JKGE Cc1ccccc1C[C@H](Br)c1c(C)c(Br)cc(C)c1Br 2201072086 IABAITOZHQFWIY-HNNXBMFYSA-N 461.035 6.816 50 10 JKGE COc1cc([C@H](Cl)c2ccc(Br)c(C)c2Br)ccc1Br 2203681300 AFICITKBQCJGIP-HNNXBMFYSA-N 483.425 6.619 50 10 JKGE Cc1cc(Br)c([C@H](Br)c2cc(Cl)c(F)cc2Cl)cc1Cl 2204287934 RZEGVGIFTFAXTK-AWEZNQCLSA-N 461.383 7.341 50 10 JKGE Clc1cc(C[C@H]2CCc3ccccc3[C@H]2Br)ccc1I 2208047380 YMXRRNLCNYKKPH-DYVFJYSZSA-N 461.568 6.186 50 10 JKGE Fc1cc(F)c([C@H](Br)c2cscc2Br)c(F)c1Br 2220510927 RQUKNJMKYXFOFU-SECBINFHSA-N 464.926 6.175 50 10 JKGE Clc1cc(Cl)cc(C[C@H](Br)c2cccc(I)c2)c1 2224004357 OHBYZMPHJNMXQN-AWEZNQCLSA-N 455.948 6.277 50 10 JKGE Clc1cc(Br)c([C@H](Br)C23CCC(CC2)OC3)c(Cl)c1Cl 2232516659 LKRNPSLVDPXQPV-OFBKNLNESA-N 463.424 6.805 50 10 JKGE Cc1ccc([C@@H](Cl)c2cc(Cl)c(Cl)c(Cl)c2Cl)cc1I 2232833321 MMDWRJMRMFRUFL-LLVKDONJSA-N 480.387 7.541 50 10 JKGE CCN(C[C@](C)(CBr)OCc1ccc(C(F)(F)F)cc1)C(=O)OC(C)(C)C 2239611984 UATAMHFNPLMVMA-SFHVURJKSA-N 454.327 5.633 50 10 JKGE Cc1ccc([C@H](Br)c2cc(Br)c(Br)cc2F)c(F)c1F 2239865999 VDMQIEJKDXJYFX-LBPRGKRZSA-N 472.924 6.422 50 10 JKGE Brc1cc2sc([C@@H](Br)c3ncsc3Br)cc2s1 2252869516 WAHUNRBSFGGDNN-MRVPVSSYSA-N 474.062 6.429 50 10 JKGE CC[C@H]1CN(C(=O)OCc2ccccc2)[C@H](CC)CN1CC1(CBr)CC(C)C1 2254159549 SBMPASKVMULSJR-QKWOESADSA-N 451.449 5.309 50 10 JKGE Cl[C@H](c1c(Br)sc(Br)c1Br)[C@]12CCCC[C@@H]1CC2 2260512501 ONPICPJMVKPZIE-OHILOLKFSA-N 477.487 7.286 50 10 JKGE Clc1cc(Br)c([C@@H](Br)[C@@H]2COC3(CCC3)C2)c(Cl)c1Cl 2284738696 QCDHOWUTOGWXQQ-CPCISQLKSA-N 463.424 6.805 50 10 JKGE COc1cc(C=C(C#N)c2ccccc2)c(Br)cc1OCc1ccccc1Cl 2293185126 HPBXHBGOPVEDEN-UHFFFAOYSA-N 454.751 6.754 50 10 JKGE N#CC(=Cc1ccccc1OCc1ccccc1)C(=O)Nc1ccc(Br)cc1F 2297551387 HDINOGBBOLNPNT-UHFFFAOYSA-N 451.295 5.713 50 10 JKGE COc1ccc(C=C(C#N)C(=O)Nc2ccc([N+](=O)[O-])cc2Cl)cc1OCc1ccccc1 2297551518 OXKZBPFODALCJE-UHFFFAOYSA-N 463.877 5.381 50 10 JKGE Cc1ccccc1NC(=O)C(C#N)=Cc1cc(Br)ccc1OCc1ccccc1F 2313541175 ZEHLSUYDBKYJDX-UHFFFAOYSA-N 465.322 6.021 50 10 JKGE N#CC(=Cc1ccccc1OCc1ccc(Cl)cc1Cl)C(=O)Nc1cccc([N+](=O)[O-])c1 2313728079 ATBNSNOEBYIVGL-UHFFFAOYSA-N 468.296 6.026 50 10 JKGE Brc1ccc(OCc2ccccc2)c([C@@H](Br)C2(CC3CCC3)CC2)c1 2314491304 NVNKETNVNPDMLN-OAQYLSRUSA-N 464.241 7.435 50 10 JKGE CCOC(=O)c1ccc(-c2ccc(C=C3C(=O)N([C@H](C)c4ccccc4)C(=O)C(C#N)=C3C)o2)cc1 2314618748 STNKUNRNBCPLCJ-LJQANCHMSA-N 480.520 5.477 50 10 JKGE COc1cc(C=C(C#N)C(=O)NCc2ccccc2)ccc1OC(=O)c1ccc(-c2ccccc2)cc1 2314737259 UXXYPAWMMNBMJP-UHFFFAOYSA-N 488.543 5.805 50 10 JKGE CCCCOc1ccc(C=CC(=O)Oc2ccc(C=C(C#N)C(=O)OCC)cc2OC)cc1OCC 2314807966 MXRARQUDCIWADK-UHFFFAOYSA-N 493.556 5.362 50 10 JKGE Cc1cc(I)c(Oc2nc(C)c(CBr)s2)cc1Cl 2314957716 GQKBDGFKPMPTPV-UHFFFAOYSA-N 458.546 5.705 50 10 JKGE Clc1cc(I)c([C@H](Br)[C@H]2C[C@H]3CCC[C@H](C3)C2)s1 2316771341 LIOLNHNJPNETHZ-BSTOTGJRSA-N 459.618 6.659 50 10 JKGE Cc1cc(Br)c(F)c(Br)c1[C@@H](Br)CCC(C)(F)F 2317399938 LHLHRZVMJPEGGU-ZETCQYMHSA-N 452.934 6.531 50 10 JKGE CC(C)(C)[C@@H]1CCc2c(sc3ncn(CC(=O)C(C#N)=C4Nc5ccccc5S4)c(=O)c23)C1 2320729548 GJCYXYLLQRDTCA-CQSZACIVSA-N 476.627 5.131 50 10 JKGE N#CC(=C(O)c1ccc(Cl)c(Cl)c1)c1nc(-c2ccc(Oc3ccccc3)cc2)cs1 2331358766 LQFYRJPWGRLGJT-UHFFFAOYSA-N 465.361 7.859 50 10 JKGE COc1cc(C)c(-c2csc(C(C#N)=C(O)[C@@H]3CC(=O)N([C@@H](C)c4ccccc4)C3)n2)cc1C 2331402816 UXLIGRFEVZQHJD-AZUAARDMSA-N 473.598 5.838 50 10 JKGE COc1cccc(-c2csc(C(C#N)=Cc3ccc(OC(=O)c4ccccc4)c(OC)c3)n2)c1 2331421257 BZIXNUPIPDIQKR-UHFFFAOYSA-N 468.534 6.111 50 10 JKGE CCOc1c(Br)cc(C=C(C#N)c2nc(-c3cccc(OC)c3)cs2)cc1OC 2331421515 VYSOFZVUQNTXED-UHFFFAOYSA-N 471.376 6.053 50 10 JKGE CCCOc1ccc(C=C(C#N)c2nc(-c3cc(OC)ccc3OC)cs2)cc1OCC 2331450432 JEXQJFVGICXPNP-UHFFFAOYSA-N 450.560 6.079 50 10 JKGE CCOc1cc(C=C(C#N)c2nc(-c3ccc(OC)c(C)c3C)cs2)ccc1OCc1ccccc1 2331468124 AASPBYLMEQEBST-UHFFFAOYSA-N 496.632 7.477 50 10 JKGE COc1c(Br)cc(C)c([C@H](Cl)c2cnsc2Br)c1Br 2339649951 AHDMEFTVWQVODJ-SNVBAGLBSA-N 490.442 6.076 50 10 JKGE Cc1cc([C@@H](Br)c2ccc(Cl)cc2I)c(C)cc1Cl 2340063149 HRSZTIZNUXFUGS-HNNXBMFYSA-N 469.975 6.699 50 10 JKGE Clc1ccc(CN2CC[C@@]3(CCC[C@@H]3Br)C2)c(I)c1 2341033717 ZTAKMMFEWMUBRM-GJZGRUSLSA-N 454.577 5.084 50 10 JKGE C[C@@H](Br)C[C@@H]1CCCCN1Cc1ccc(Cl)cc1I 2341059570 MFIMETLMYYKZDY-RISCZKNCSA-N 456.593 5.473 50 10 JKGE Brc1cscc1[C@H](Br)c1cc2c(cc1Br)OCCC2 2343583632 FKVIKPBJBHHDIR-CQSZACIVSA-N 467.020 6.082 50 10 JKGE Cc1ccc(CCl)cc1OCc1ccc(I)c(Br)c1 2349810746 UALBGGPUVPLZMV-UHFFFAOYSA-N 451.529 5.680 50 10 JKGE COC[C@@]1([C@@H](Br)c2c(Cl)cc(Br)c(F)c2Br)CCCO1 2362225555 QMRBMJDEZLMYFB-QWHCGFSZSA-N 495.408 5.636 50 10 JKGE Fc1c(Br)cc(Cl)c([C@H](Cl)c2cccc(Cl)c2Cl)c1Br 2362226869 XKNILTIMJSKNOE-GFCCVEGCSA-N 481.801 7.639 50 10 JKGE CC(F)(F)C1([C@H](Cl)c2c(Cl)cc(Br)c(F)c2Br)CCC1 2362249183 AFPVCJMXKYQHBP-LLVKDONJSA-N 454.939 7.110 50 10 JKGE Cc1ccccc1[C@@H](CBr)OCc1ccc(Cl)cc1I 2365645165 LNEVIXOMIQOGJN-MRXNPFEDSA-N 465.556 5.906 50 10 JKGE CCC1CCC(CBr)(OCc2ccc(Cl)cc2I)CC1 2365652138 DPZWOMCCLHHFFP-UHFFFAOYSA-N 471.604 6.195 50 10 JKGE Clc1ccc(CN2C[C@H](Br)C[C@@H]3CCCC[C@@H]32)c(I)c1 2366728741 YEQRETMOGKZDLH-GHJWDPDVSA-N 468.604 5.473 50 10 JKGE Cc1ccc(C[C@H]2S/C(=C(\C#N)C(=O)Nc3ccccc3F)N(c3ccccc3)C2=O)cc1 2351524 LIDSHIFKXLXQEB-SLSCBCEPSA-N 457.530 5.199 50 10 JKGE CCOc1ccccc1NC(=O)/C(C#N)=C/c1ccc(OC(F)(F)[C@@H](F)C(F)(F)F)cc1 16437745 KCCXGKIYLPLSSJ-VUVZNRFTSA-N 458.358 5.503 50 10 JKGE CSc1cccc(N/C(SCc2ccc(C)cc2C)=C(/C#N)S(=O)(=O)c2ccccc2)c1 20325515 LLFGOECKYHCWGT-OCOZRVBESA-N 480.680 6.537 50 10 JKGE CCSc1sccc1[C@@H]1C(C#N)=C(N)N(c2cc([N+](=O)[O-])ccc2C)C2=C1C(=O)CC(C)(C)C2 27550607 HRDHPCBHCCRPLE-OAQYLSRUSA-N 494.642 6.018 50 10 JKGE N#C/C(=C\c1ccc(-c2ccc(Br)cc2)o1)c1nc(-c2ccc(Cl)cc2)cs1 28357452 RUOKUVWIAGNJPS-LFIBNONCSA-N 467.775 7.550 50 10 JKGE COc1ccc(-c2nn(-c3ccccc3)cc2/C=C(/C#N)S(=O)(=O)c2ccc(C)c(C)c2)cc1OC 33295538 IKJJECWXKOHUTM-MYYYXRDXSA-N 499.592 5.512 50 10 JKGE Cc1ccc(CCN(C(=O)CCl)[C@H](C(=O)N[C@@H]2CCCC[C@@H]2C)c2ccccc2Cl)cc1 33404643 FJOGJWYBWMGSJF-CYSDGLOUSA-N 475.460 5.695 50 10 JKGE CCNC(=O)/C(C#N)=C/c1cn(-c2ccccc2)nc1-c1cccc(OCc2ccc(F)cc2)c1 35446058 ASOMAECBEIQSOM-PXLXIMEGSA-N 466.516 5.300 50 10 JKGE COc1cc(/C=C(\C#N)c2nc(-c3ccc(C)cc3)cs2)ccc1OCC(=O)Nc1ccccc1 35519943 FBDHPHXAHBBYFF-HYARGMPZSA-N 481.577 6.209 50 10 JKGE COc1cc(/C=C(/C#N)c2nc(-c3ccc(F)cc3)cs2)ccc1OCC(=O)Nc1nccs1 35520012 FQIGONBUUTUFFU-YVLHZVERSA-N 492.557 5.496 50 10 JKGE CCCCOc1ccc(/C=C2/C(=O)N(Cc3ccc(F)cc3)C(=O)C(C#N)=C2C)cc1OCC 38608711 ZQIAZSJQWNUNCT-HYARGMPZSA-N 462.521 5.196 50 10 JKGE CCc1ccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)COc4ccc(Cl)cc4C)ccc32)cc1 38677470 FQBQMISWPSWKDP-AREMUKBSSA-N 474.944 5.413 50 10 JKGE N#CC1=C(N)Oc2cc(OC(=O)c3ccccc3F)ccc2[C@H]1c1ccccc1Br 38678862 LFRLGXWMDZOIEI-OAQYLSRUSA-N 465.278 5.026 50 10 JKGE Cc1ccc(NC(=S)NNC(=O)c2ccc(-c3ccc(Cl)c(C(F)(F)F)c3)o2)cc1 39892539 QLXOTKVULLORQX-UHFFFAOYSA-N 453.873 5.559 50 10 JKGE CCOc1ccc(NC(=O)/C(C#N)=C/c2ccc(OCc3ccc(C)cc3)c(OCC)c2)cc1 40006648 UHRCZCNUMOFWLG-XQNSMLJCSA-N 456.542 5.917 50 10 JKGE C=CCOc1cccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4cccc(OCCCC)c4)ccc32)c1 40529911 ABRHGVSQVBWEHX-NDEPHWFRSA-N 496.563 5.868 50 10 JKGE CCCCCCOc1ccc(/C=C(\C#N)C(=O)Nc2ccc(C)cc2Br)cc1OC 40853637 YPLYDHAZOLBYMG-XMHGGMMESA-N 471.395 6.271 50 10 JKGE CCOc1ccccc1/C=C/C(=O)Oc1ccc(/C=C(\C#N)c2ccc(Cl)cc2)cc1OC 40950332 RRNDYGPAJUGCMB-AGBGGAJKSA-N 459.929 6.430 50 10 JKGE CCOc1ccc([C@H](O)CCC(=O)N/N=C\c2ccc(OCc3ccccc3)c(OCC)c2)cc1 58893007 YJXXBPOMBLIOHA-RVNNHDHLSA-N 476.573 5.027 50 10 JKGE CCOc1cc(/C=C(/C#N)C(=O)Nc2ccc(C)cc2)c(Br)cc1OCc1ccccc1 59335618 AFHNKPSBTCIKOH-BKUYFWCQSA-N 491.385 6.281 50 10 JKGE O=C(N/N=C/c1ccc(Br)cc1)c1ccc([C@@H]2Nc3ccccc3[C@H]3C=CC[C@@H]32)cc1 59471570 KVDXIYHAWLBVSG-DHTDLLPFSA-N 472.386 6.040 50 10 JKGE C[C@@H]1CCCC[C@@H]1NC(=O)[C@@H](c1ccc(Cl)cc1)N(C(=O)CCl)c1cccc(Cl)c1 97914260 FPFZYFWZYWCANV-UPKQVVFYSA-N 467.824 6.001 50 10 JKGE O=C1OC(=O)[C@@H]2[C@H]1[C@]1(c3ccccc3)C(=O)[C@@]2(c2ccccc2)C(c2ccccc2)=C1c1ccccc1 100078024 RRYGIAWZXXLJOD-FLLYCIPJSA-N 482.535 5.386 50 10 JKGE O=[N+]([O-])c1cccc(C(Br)Br)c1C(Br)Br 100114578 IBUSQAGSVWPMPS-UHFFFAOYSA-N 466.749 5.172 50 10 JKGE CC1=C(C#N)C(=O)N(C2CCCC2)C(=O)/C1=C/c1cn(-c2ccccc2)nc1-c1c(C)cc(C)cc1C 101338498 CQHPPIKCRUNGAN-WGOQTCKBSA-N 490.607 5.999 50 10 JKGE CCOc1ccc(Br)cc1[C@@H](Br)c1sccc1Br 111536557 UASGIMHFLDCMFD-GFCCVEGCSA-N 455.009 6.156 50 10 JKGE COc1c(C)cc(Br)c(C)c1[C@@H](Br)c1ccc(Br)o1 125720708 JKDNJXDUAZODDS-ZDUSSCGKSA-N 452.968 5.914 50 10 JKGE Clc1cc([C@@H](Cl)c2cc(Br)ccc2Br)sc1Br 161114861 LNCJJFGKXXXEEL-JTQLQIEISA-N 479.846 7.017 50 10 JKGE Cc1cc(Br)ccc1[C@@H](Br)c1csc2c(Br)cccc12 163513058 OWDZTLITTCKGOL-OAHLLOKOSA-N 475.043 7.219 50 10 JKGE CC(C)(C)c1ccc(Cn2cccc(C(=O)N/N=C\c3c(Cl)cccc3Cl)c2=O)cc1 169921225 QJOPABJMJJWKGL-VYYCAZPPSA-N 456.373 5.265 50 10 JKGE CCSc1ccc(Cl)cc1CC(=O)N/N=C\c1ccc(OC(=O)c2cccs2)cc1 169922435 CXKRFNWXKSOWKL-OYKKKHCWSA-N 458.992 5.426 50 10 JKGE Brc1cc2c(c([C@H](Br)c3csc(I)c3)c1)OCC2 228444566 LMRDEKNDERGAQI-GFCCVEGCSA-N 499.993 5.534 50 10 JKGE CC(C)CC(CBr)(CBr)Cc1cc(Br)cc2c1OCC2 228557022 PMXBEYRGQFMMQT-UHFFFAOYSA-N 469.055 5.749 50 10 JKGE COc1cc(F)c(Br)cc1[C@H](Br)c1csc(Br)c1 234916594 IDKTVSOPFVFQFT-GFCCVEGCSA-N 458.972 5.905 50 10 JKGE Clc1ccc([C@H](Br)c2ccc(Br)cc2Br)c(Cl)c1 236066425 RSIFWJZMYMGVGN-CYBMUJFWSA-N 473.817 7.003 50 10 JKGE Fc1ccc([C@@H](Br)c2cc(Cl)c(Br)s2)cc1Br 236172020 JRKQZTQQELUQKM-SNVBAGLBSA-N 463.391 6.550 50 10 JKGE O=C(NN=Cc1ccc(N2N=C(c3ccccc3)C[C@@H]2c2ccccc2)cc1)c1ccc([N+](=O)[O-])cc1 254868312 DAWCIQVYDHOBOA-MUUNZHRXSA-N 489.535 5.714 50 10 JKGE C[C@H](Cl)c1nc2cccnc2n1-c1ccc(I)c(Br)c1 312369348 IADLIJKXTHMERU-QMMMGPOBSA-N 462.516 5.087 50 10 JKGE COc1cccc(COc2c(Br)cc(Br)cc2CBr)c1 312693110 CBUXXSFTVZBASS-UHFFFAOYSA-N 464.979 5.694 50 10 JKGE COc1cc(Br)ccc1Oc1cccc(Br)c1CBr 394776911 CCTZWLLYSYFWLT-UHFFFAOYSA-N 450.952 5.907 50 10 JKGE 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 605696402 MCSRTMAXJYKTHU-XGBSISQDSA-N 486.857 8.963 50 10 JKGE in-vitro COc1ccc([C@@H](Br)c2scc(Br)c2Br)cc1Cl 705439036 NKAHSKWIFCWGCK-SNVBAGLBSA-N 475.427 6.419 50 10 JKGE Fc1cc(Br)cc(CBr)c1OCc1cncc(Br)c1 715810754 DAYSTUPCPYVVSU-UHFFFAOYSA-N 453.931 5.220 50 10 JKGE FC(F)c1cscc1[C@@H](Br)c1cc(Br)sc1Br 717194779 VIKYGVVJJSTFND-QMMMGPOBSA-N 466.992 6.757 50 10 JKGE COC(=O)c1ccc(C)c(-c2ccc(C=NNC(=O)c3cc4cc(Br)ccc4o3)o2)c1 1084113880 SGIGVSXVEMRESO-UHFFFAOYSA-N 481.302 5.314 50 10 JKGE Cc1ccc(NC(=O)/C(C#N)=C\c2cc(Cl)ccc2OCc2ccc(Cl)cc2)c(C)c1 1084116755 NEDWLKLOLPJPJM-NDENLUEZSA-N 451.353 6.735 50 10 JKGE COc1ccc(C(=O)Oc2ccc(/C=C(/C#N)C(=O)Nc3cc([N+](=O)[O-])ccc3Cl)cc2)cc1 1084288703 IKOWCOLWQAHZPU-ATVHPVEESA-N 477.860 5.022 50 10 JKGE O=C(Cc1ccc(Cl)cc1)NN=Cc1ccc(OCc2ccc(Br)cc2)cc1 1084325532 PQLAERCFDZOGLR-UHFFFAOYSA-N 457.755 5.374 50 10 JKGE C=CCc1cc(C=NNC(=O)c2cc3ccccc3o2)ccc1OCc1ccc(Cl)c(Cl)c1 1084349065 CENIRWYWYOLGQE-UHFFFAOYSA-N 479.363 6.811 50 10 JKGE Cc1cc(C=NNC(=O)c2cc3ccccc3o2)c(C)n1-c1ccc(OCc2ccccc2F)cc1 1084543494 ADPSPWQIEZULNT-UHFFFAOYSA-N 481.527 6.322 50 10 JKGE Cc1ccc2cccc(OC(=O)c3oc4c(c3C)C(=NNC(=O)c3ccc([N+](=O)[O-])cc3)CCC4)c2n1 1772744838 KXOXMVCNZQCICU-UHFFFAOYSA-N 498.495 5.042 50 10 JKGE COc1cccc(C(=O)NN=C2CCCc3oc(C(=O)Nc4ccc(Cl)cc4C)c(C)c32)c1 1772748627 BOLMICSIVHUDMW-UHFFFAOYSA-N 465.937 5.281 50 10 JKGE COc1ccc(-c2nn(-c3ccccc3)c3c2[C@@H](c2ccc(Cl)c(Cl)c2)C(C#N)=C(N)O3)cc1 1865684880 AYBFKZCTGSDTHY-QFIPXVFZSA-N 489.362 6.073 50 10 JKGE N#CC1=C(N)Oc2c(c(-c3ccccc3)nn2Cc2ccc(F)cc2)[C@H]1c1ccc(Cl)cc1Cl 1865685437 IROUALYNFNZNSQ-QFIPXVFZSA-N 491.353 6.262 50 10 JKGE N#CC1=C(N)Oc2c(c(C(F)(F)F)nn2Cc2ccc(F)cc2)[C@H]1c1ccc(Cl)c(Cl)c1 1865685972 PQENWZUNKXWUOX-INIZCTEOSA-N 483.252 5.614 50 10 JKGE CCOc1cccc([C@@H]2C(C#N)=C(N)Oc3c2c(C)nn3Cc2ccc(Cl)c(Cl)c2)c1 1865690735 ZVEMJYDWCBXWAB-OAQYLSRUSA-N 455.345 5.164 50 10 JKGE COc1ccc(-c2nn(-c3cccc4ccccc34)c3c2[C@H](c2cccs2)C(C#N)=C(N)O3)cc1 1865698238 OAIHDQCRHMXUHN-DEOSSOPVSA-N 476.561 5.981 50 10 JKGE N#CC1=C(N)Oc2c(c(-c3ccccc3)nn2Cc2c(F)cccc2Cl)[C@@H]1c1c[nH]c2ccccc12 1865699982 HXXBGXHKIWXPIG-DEOSSOPVSA-N 495.945 6.090 50 10 JKGE COc1ccc(-c2nn(Cc3ccccc3F)c3c2[C@@H](c2c[nH]c4ccccc24)C(C#N)=C(N)O3)cc1 1865700248 NUIPVIVMFGLQJX-RUZDIDTESA-N 491.526 5.446 50 10 JKGE Cc1ccc(Cn2nc(C)c3c2OC(N)=C(C#N)[C@H]3c2ccccc2OCc2ccc(Cl)cc2)cc1 1865701398 UTKZVCQPRBPYFO-HHHXNRCGSA-N 496.998 5.999 50 10 JKGE COc1ccc(-c2nn(-c3ccc(C)cc3)c3c2[C@@H](c2ccc(F)cc2F)C(C#N)=C(N)O3)cc1 1865702037 LEHXRTLEKDRNQJ-QHCPKHFHSA-N 470.479 5.353 50 10 JKGE CCn1nc(-c2ccccc2)c2c1OC(N)=C(C#N)[C@H]2c1c(OCc2ccccc2)ccc2ccccc12 1865704477 WVAZZCOJKBMZKT-NDEPHWFRSA-N 498.586 6.520 50 10 JKGE CCc1ccc([C@@H]2C(C#N)=C(N)Oc3c2c(-c2ccccc2)nn3Cc2cccc(F)c2)cc1 1865709592 YEPSQAONBHWTEG-XMMPIXPASA-N 450.517 5.518 50 10 JKGE CCc1nn(Cc2ccc(F)cc2)c2c1[C@@H](c1cccc(OCc3ccccc3)c1)C(C#N)=C(N)O2 1865711861 JODNKSVGESCKDT-SANMLTNESA-N 480.543 5.430 50 10 JKGE CC(C)Cn1nc(C(F)(F)F)c2c1OC(N)=C(C#N)[C@@H]2c1cccc(OCc2ccccc2)c1 1865712000 NJXXVMKZQMXUIJ-FQEVSTJZSA-N 468.479 5.355 50 10 JKGE N#CSc1ccc(Nc2cc(N3CCC[C@@H]3Cc3ccc(Cl)cc3)nc(-c3ccccc3)n2)cc1 1868365286 NIBSCRQBZCYDOA-XMMPIXPASA-N 498.055 7.325 50 10 JKGE Cc1cc(OC/C(O)=C(\C#N)c2nc(-c3ccc(Br)cc3)cs2)ccc1Cl 1872746535 MKMRVXCEOYKGMJ-MNDPQUGUSA-N 461.768 6.406 50 10 JKGE CCOC(=O)Oc1ccc(/C(O)=C(\C#N)c2nc(-c3cc(C(C)C)c(OC)cc3C)cs2)cc1 1872753640 HKHFPQXJCAFQET-FLFQWRMESA-N 478.570 6.736 50 10 JKGE CCOc1cc(/C=C(\C#N)c2nc(-c3ccc(C)cc3C)cs2)ccc1OCc1ccc(C)cc1 1872790609 UAJIVMDJRMKXBU-MFKUBSTISA-N 480.633 7.777 50 10 JKGE N#C/C(=C(/O)c1ccc(N2C(=O)c3ccccc3C2=O)cc1)c1nc(-c2cccc([N+](=O)[O-])c2)cs1 1873940763 GJLHZGHYZVTUMJ-LNVKXUELSA-N 494.488 5.469 50 10 JKGE Brc1sc(Br)c([C@H](Br)[C@@H]2[C@@H]3CCO[C@@H]32)c1Br 1895481351 OQBOZLMJSDFPPC-QXCXTELSSA-N 495.856 5.507 50 10 JKGE CC(C)(C)OC(=O)NCCSSCCNc1cc(Br)c(Cl)cc1[N+](=O)[O-] 1902030754 PPFFCSDWPBTWDK-UHFFFAOYSA-N 486.841 5.329 50 10 JKGE C[C@@H](Br)CN(Cc1ccccc1)C(=O)c1cc(Br)ccc1Br 1914615031 YLCBEFZAORKLCC-GFCCVEGCSA-N 490.033 5.637 50 10 JKGE O=S(=O)(c1ccc(Cl)c(C(F)(F)F)c1)N(CCCBr)Cc1ccccc1 1914653152 OMXWSSNGPNCNEU-UHFFFAOYSA-N 470.738 5.335 50 10 JKGE O=S(=O)(c1ccc(Cl)c(Cl)c1)N(Cc1ccccc1)[C@H](CBr)C1CC1 1915169484 IESCXJKPQDTHFS-GOSISDBHSA-N 463.224 5.358 50 10 JKGE Cc1c(Br)sc([C@@H](Br)c2nn(C)cc2Cl)c1Br 1922932592 NHWCJLCXDSLFCN-ZETCQYMHSA-N 463.420 5.453 50 10 JKGE C[C@@](CBr)(Cc1ccc(Br)cc1Br)C1CCCCC1 1923888572 CSYZCEDZTAOPKH-INIZCTEOSA-N 453.056 6.736 50 10 JKGE F[C@@H]1CC[C@@H]([C@@H](Cl)c2c(Br)sc(Br)c2Br)C1 1924570684 LSVVAMZWBKFJJU-OKMMGKLZSA-N 455.412 6.454 50 10 JKGE CC[C@@H](c1ccccc1)[C@H](Cl)c1c(Br)sc(Br)c1Br 1924596210 KQJJCHOZMWPYKE-CABZTGNLSA-N 487.482 7.509 50 10 JKGE Cl[C@@H](Cc1ncccc1Br)c1cc(Br)sc1Br 1924910533 YOQCWLHDFQXENF-QMMMGPOBSA-N 460.416 5.953 50 10 JKGE FC(F)(F)c1cccc([C@@H](Br)c2c(Cl)sc(Br)c2Cl)c1 1925598963 LMHRDHZWINRZOP-MRVPVSSYSA-N 468.947 7.321 50 10 JKGE Clc1cc(Br)c([C@H](Br)c2ccsc2Br)s1 1933598107 VMGOGVQYQJGKGQ-SSDOTTSWSA-N 451.430 6.472 50 10 JKGE C[C@H](C[C@@H](Cl)c1c(Br)sc(Br)c1Br)C1CC1 1983715145 FORRBWPMHRQYJP-IYSWYEEDSA-N 451.449 6.752 50 10 JKGE Cc1c(Br)sc([C@@H](Cl)c2cc(Br)c(Cl)s2)c1Br 2004902752 PPSMULNMUUVPJN-ZETCQYMHSA-N 499.902 7.387 50 10 JKGE Cc1cc(Br)c(CBr)c(N(C)[C@H]2CC[C@H]2OCc2ccccc2)c1 2005455767 JMUVGLPDUYJIOA-AZUAARDMSA-N 453.218 5.836 50 10 JKGE Cn1cc([C@H](Br)c2ccc(Br)cc2Br)nc1Br 2024279440 NLMGXIZWWJACMI-SNVBAGLBSA-N 487.815 5.192 50 10 JKGE Clc1cc([C@@H](Br)c2ccc(Br)cc2Br)sc1Cl 2024283492 QCEVKPVCTQUYDP-JTQLQIEISA-N 479.846 7.064 50 10 JKGE CCc1sc(Br)cc1[C@@H](Br)c1cccc(Br)c1F 2030219596 JJZQWYCQLRPXIA-LBPRGKRZSA-N 457.000 6.459 50 10 JKGE Brc1cc([C@H](Br)c2scc3c2CCCC3)c(Br)s1 2066977196 BSSOUULREDROEW-NSHDSACASA-N 471.077 6.698 50 10 JKGE CC(C)(C)CC1CC(OC2(CI)CCN(C(=O)OC(C)(C)C)CC2)C1 2068026224 HENCUJADQOVSHV-UHFFFAOYSA-N 465.416 5.423 50 10 JKGE O=C(NC1(CCBr)CCCC1)c1cccc(Br)c1Br 2092331684 WTIPNEPRNSPWTD-UHFFFAOYSA-N 454.000 5.039 50 10 JKGE Clc1ccccc1[C@@H](Br)CCc1c(Br)cccc1Br 2113491804 UFQLKTUSKGZXLO-AWEZNQCLSA-N 467.426 6.934 50 10 JKGE CC1(C)C[C@@H](CBr)CN(Cc2c(Br)cccc2Br)C1 2115951992 CDXPRPSHFRDUIG-NSHDSACASA-N 454.044 5.455 50 10 JKGE Cc1cc(Br)c([C@H](Br)C2(C)CCCCCC2)cc1Br 2116007690 CIMSNQDCPLSFAF-HNNXBMFYSA-N 453.056 7.317 50 10 JKGE CC(C)[C@H](Br)c1cn(-c2ccc(Cl)c(I)c2Cl)nn1 2121071330 XYKGXIUZYICZCL-JTQLQIEISA-N 474.955 5.271 50 10 JKGE CCn1cc(Br)c([C@H](Cl)c2cc(Br)c(C)cc2Br)n1 2124769115 RXJRKPOHTMSOKV-GFCCVEGCSA-N 471.418 5.827 50 10 JKGE COc1cc(Cl)c([C@@H](Cl)c2ccc(OCc3ccccc3)cc2)cc1Br 2137636017 AEVKTILNZNRYSI-NRFANRHFSA-N 452.175 7.018 50 10 JKGE Cc1c(F)ccc([C@H](Br)c2cc(Br)ccc2I)c1C 2138888555 KMJNSGNYGVNZOJ-HNNXBMFYSA-N 497.971 6.294 50 10 JKGE CCC[C@@H]1CN(C(=O)c2csc(Br)c2Br)C[C@@H]1CBr 2140764717 HYEAJFRQDCBRSD-BDAKNGLRSA-N 474.056 5.156 50 10 JKGE Clc1cc(CN2CC[C@]3(CCC[C@@H]3Br)C2)ccc1I 2142951304 ZAUZELBEAURECM-LSDHHAIUSA-N 454.577 5.084 50 10 JKGE CC(C)(C)[C@@]1(CBr)CCN(C(=O)c2cc(Br)c(Br)s2)C1 2160943210 XCZRDJFTQHEMKC-CQSZACIVSA-N 488.083 5.546 50 10 JKGE Fc1cc(Br)cc(N2CC[C@@H]3[C@@H](CCCN3Cc3ccccc3)C2)c1CCl 2170691129 HVPXJISXCYBCBJ-LAUBAEHRSA-N 451.811 5.818 50 10 JKGE FC(F)[C@@H]1CN(Cc2ccccc2)C[C@@H]1n1c(CCl)nc2ccc(Br)cc21 2193245514 QSHCIYQAXHRFBU-QAPCUYQASA-N 454.746 5.476 50 10 JKGE CCc1nn(C)c([C@@H](Br)c2cc(Br)c(Cl)cc2C)c1Br 2202351843 KQSPYERVBNNESJ-LBPRGKRZSA-N 485.445 5.954 50 10 JKGE COc1c(Cl)cc(Br)cc1[C@H](Br)c1ccc(Br)c(C)c1 2203002100 JKLPXRUGOXZXNX-CQSZACIVSA-N 483.425 6.666 50 10 JKGE Cc1cccc(COc2c(Br)cc(CBr)cc2Br)c1C 2203039677 YKFNDLSZGNVOPL-UHFFFAOYSA-N 463.007 6.302 50 10 JKGE Brc1ccc([C@@H](Br)[C@H]2CCc3ccccc3C2)c(Br)c1 2203685154 JCUPFWQNJMHMJR-GUYCJALGSA-N 459.019 6.453 50 10 JKGE CCCC1CCC([C@H](Br)c2ccc(Br)c(C)c2Br)CC1 2203685188 JEKDAVXOAZKYMW-FVKWTLKZSA-N 467.083 7.563 50 10 JKGE Fc1cc(Br)c(Br)cc1[C@H](Br)C1CC2(CCCO2)C1 2225620282 SOGCTWDOPABSNN-FEUBCLPYSA-N 456.975 5.746 50 10 JKGE CC1(C)CCC[C@@](CBr)(Cc2cccc(Br)c2Br)O1 2226847116 ARCFUFCMFAWMAE-HNNXBMFYSA-N 455.028 5.867 50 10 JKGE Cc1ccc([C@H](Br)c2sc(C)c(C)c2Br)c(C)c1Br 2229322344 IXGXJMVDFDZFCJ-AWEZNQCLSA-N 467.064 6.991 50 10 JKGE Cc1ccc([C@H](Br)c2c(Br)cc(Cl)c(Cl)c2Cl)cc1Cl 2232511105 IXUJFHUOPSYRFB-LBPRGKRZSA-N 477.838 7.855 50 10 JKGE CCOCc1cc(Br)c([C@@H](Br)c2ccc(Cl)c(Cl)c2)s1 2233016931 LWQXHUOBGATHIN-ZDUSSCGKSA-N 459.030 6.838 50 10 JKGE COc1cc(Br)c([C@H](Br)c2ccc(Br)cc2F)cc1C 2236015419 ZNZMJCDETFLYIG-OAHLLOKOSA-N 466.970 6.152 50 10 JKGE Cc1cc(Br)c([C@@H](Br)c2c(Cl)c(C)nn2C)c(C)c1Br 2240930101 YXBYYUAGPFPLOE-GFCCVEGCSA-N 485.445 6.008 50 10 JKGE Cc1cc([C@@H](Br)c2c(F)cc(Br)c(F)c2Br)sc1Cl 2272724949 WAXOXRRAYVFIPX-SECBINFHSA-N 495.408 6.997 50 10 JKGE Cn1nc([C@@H](Cl)c2cc3sc(Br)cc3s2)c(Br)c1Cl 2278011114 JLMGPGMDEOBWEF-VIFPVBQESA-N 461.031 6.203 50 10 JKGE COc1c([C@@H](Cl)c2c(Br)cc(Cl)c(Cl)c2Cl)csc1Cl 2284302467 DGVFBQNKGMMGOB-MRVPVSSYSA-N 455.415 7.461 50 10 JKGE Clc1cc(CN2CCC3(CC[C@@H](Br)C3)CC2)ccc1I 2287995685 KZEBMFWNAZNLMR-CYBMUJFWSA-N 468.604 5.474 50 10 JKGE Cc1c(Br)ccc([C@@H](Br)[C@@]23CC[C@@](CF)(C2)OC3)c1Br 2290448494 LMGYAWUQZFRUID-ILXRZTDVSA-N 471.002 5.865 50 10 JKGE CC(C)CN(C[C@@H](C)Br)C(=O)Cc1cc(Br)cc(Br)c1 2295314855 DQONZQCMLYUKFG-LLVKDONJSA-N 470.043 5.022 50 10 JKGE C=CCOc1ccc(-c2nn(-c3ccccc3)cc2C=C(C#N)c2nc3ccccc3s2)c(C)c1 2296707792 LDCIKTCKAIMHLF-UHFFFAOYSA-N 474.589 7.086 50 10 JKGE CCOC(=O)c1c(-c2ccc(Br)cc2)csc1NC(=O)C(C#N)=Cc1ccccc1O 2296833311 WLZKWEPYHFOXDM-UHFFFAOYSA-N 497.370 5.606 50 10 JKGE N#CC(=Cc1ccc(-c2ccc(Cl)cc2)o1)C(=O)Nc1ccc([N+](=O)[O-])cc1Br 2297551339 BQEMTXXYBSOWCB-UHFFFAOYSA-N 472.682 5.816 50 10 JKGE Clc1c(Br)sc(Br)c1[C@H](Br)[C@H]1C[C@@H]2CC[C@H]1C2 2298421301 IJMYBYSSDMQSNN-UTSKPXGSSA-N 463.460 6.799 50 10 JKGE Cc1nsc(Br)c1[C@H](Cl)c1cc(Br)ccc1OCc1ccccc1 2299507865 HHPLUVPGRUAULX-QGZVFWFLSA-N 487.644 6.884 50 10 JKGE CCC(CC)(CBr)CSc1cc(I)ccc1Br 2300793001 RNALNPFSXXNGKH-UHFFFAOYSA-N 492.058 6.347 50 10 JKGE CCOc1cc(C=C(C#N)C(=O)Nc2cccc(Cl)c2)ccc1OC(=O)c1ccc(C)cc1 2313631880 XXRIKNMMUHTEKB-UHFFFAOYSA-N 460.917 5.812 50 10 JKGE CCc1ccc(NC(=O)C(C#N)=Cc2cc(Cl)ccc2OCc2ccccc2Cl)cc1 2313671217 RSYRITBTEGMMFZ-UHFFFAOYSA-N 451.353 6.680 50 10 JKGE CCO[C@@H]1CC[C@@H]([C@@H](Br)c2cc(Br)ccc2OCc2ccccc2)C1 2314502009 DHSZMAQTIGGSHO-HGHGUNKESA-N 468.229 6.669 50 10 JKGE Cc1ccc(C)c(NC(=O)C(C#N)=Cc2c(Oc3ccccc3F)nc3c(C)cccn3c2=O)c1 2314534054 XAMYMRYOLBJHHZ-UHFFFAOYSA-N 468.488 5.097 50 10 JKGE Cc1ccc(C=CC(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@@H]3c2c(F)cccc2Cl)cc1 2314634468 WACZHOWFGVLWJG-XMMPIXPASA-N 460.892 5.625 50 10 JKGE Cc1ccc(C=CC(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@@H]3c2cccc3ccccc23)cc1 2314634627 PTASIMXPVIUBMG-GDLZYMKVSA-N 458.517 5.985 50 10 JKGE COc1c(Br)cc(C)c([C@@H](Br)CC(C)(F)F)c1Br 2317399544 JKWXGCYKSCFIRK-QMMMGPOBSA-N 450.943 6.010 50 10 JKGE CC1(C)CC[C@H](Br)[C@@H](Cc2ccc(I)c(Br)c2)C1 2325188901 ILZVBDDJNLBNSD-RYUDHWBXSA-N 486.029 6.186 50 10 JKGE CCCCc1ccc(-c2csc(C(C#N)=C(O)[C@H]([C@@H](C)CC)N3C(=O)c4ccccc4C3=O)n2)cc1 2331256571 AQBYDDAGAZBSOR-BVZFJXPGSA-N 499.636 6.656 50 10 JKGE Cc1cc(-c2csc(C(C#N)=C(O)c3ccccc3I)n2)ccc1F 2331322466 AONWJTOIOIYBPF-UHFFFAOYSA-N 462.287 5.812 50 10 JKGE CC[C@@H](C)[C@@H](C(O)=C(C#N)c1nc(-c2ccc(C(C)(C)C)cc2)cs1)N1C(=O)c2ccccc2C1=O 2331332842 UESNKORUSIIABN-OSPHWJPCSA-N 499.636 6.611 50 10 JKGE COc1ccc(Cl)cc1N1C[C@H](C(O)=C(C#N)c2nc(-c3ccc(F)cc3)cs2)CC1=O 2331343714 MSHRYPIGVKKEDN-CQSZACIVSA-N 469.925 5.457 50 10 JKGE CCOc1ccccc1OCC(O)=C(C#N)c1nc(-c2cc(C)c(Cl)cc2OC)cs1 2331390583 PZAGYRJRQFZCDM-UHFFFAOYSA-N 456.951 6.051 50 10 JKGE COc1c(Cl)cc(-c2csc(C(C#N)=C(O)COc3cc(C)c(Cl)c(C)c3)n2)cc1Cl 2331397490 IKLZKECORRSSSQ-UHFFFAOYSA-N 495.815 7.267 50 10 JKGE CCCCOc1ccc(C=C(C#N)c2nc(-c3ccc(OC)c(Cl)c3)cs2)cc1OCC 2331480635 AZACEOSRJKXKHW-UHFFFAOYSA-N 469.006 7.114 50 10 JKGE FC(F)c1ccc([C@H](Br)c2ccc(OCc3ccccc3)cc2Br)cc1 2336041150 LRLMCUZXJMLIJK-FQEVSTJZSA-N 482.162 7.450 50 10 JKGE Fc1c(Br)cc(Cl)c([C@H](Br)[C@H]2[C@H]3[C@H]4C[C@@H]2C[C@H]43)c1Br 2337106109 FFBCCWCTJAHZCO-DBLLCMLWSA-N 473.405 6.342 50 10 JKGE CCCc1sc(Br)cc1[C@H](Br)c1ccc(Cl)cc1Br 2338020017 HZBUAXVQJIKZNS-CQSZACIVSA-N 487.482 7.363 50 10 JKGE Clc1ccc([C@H](Br)Cc2c(Cl)cccc2Cl)c(I)c1 2340058551 RPZTUBQNWJVSTO-LLVKDONJSA-N 490.393 6.930 50 10 JKGE Clc1ccccc1[C@H](CI)OCc1cccc(I)c1 2341611566 KNKIYAIJZKQCPV-HNNXBMFYSA-N 498.529 5.638 50 10 JKGE C[C@H](c1ccncc1F)[C@H](Br)c1ccc(Cl)cc1I 2344715253 YUTWBILJYZBQRL-CLAHSXSESA-N 454.508 5.718 50 10 JKGE Cc1ccc([C@@H](Br)c2c(C)cc(Br)c(F)c2Br)c(F)c1 2365179679 PKLUJZMWEISCIB-CYBMUJFWSA-N 468.961 6.591 50 10 JKGE COc1c(Br)cc(C)c([C@@H](Br)C2(OC)CC(C)C2)c1Br 2365217799 HPNFAAKSNBMAMS-OOCCNLOMSA-N 471.027 5.780 50 10 JKGE ClC[C@@H](Cc1ccc(Br)cc1)Cc1ccc(Cl)cc1I 2366711213 HSEQUZSWWPQZSC-LBPRGKRZSA-N 484.002 6.347 50 10 JKGE O=C(Nc1cc(F)c(CBr)cc1F)c1scc(Br)c1Br 2368836154 UQJUWLLIIITNMX-UHFFFAOYSA-N 489.961 5.699 50 10 JKGE N#C/C(=C/c1ccccc1OC(=O)c1cccc2ccccc12)C(=O)Nc1cccc(C(=O)O)c1 3350169 HJVMHMIZPKKCTK-QNGOZBTKSA-N 462.461 5.303 50 10 JKGE CCc1ccccc1N/C(SCc1ccccc1F)=C(/C#N)S(=O)(=O)c1ccccc1 20325347 MJNRAURKTIENIT-WCWDXBQESA-N 452.576 5.900 50 10 JKGE CC(=C/c1ccc(C(C)C)cc1)/C=N/NC(=O)c1cccc(NC(=O)c2ccc(Cl)cc2)c1 27520152 JZKRJWWGWHVFTA-NPKAVDKISA-N 459.977 6.535 50 10 JKGE Cc1cc(OCC(=O)N/N=C2\C=C(c3ccccc3)[C@](O)(c3ccccc3)C2)ccc1C(C)C 34869298 CCJYMXCPTXOEHQ-PPYOSMSJSA-N 454.570 5.345 50 10 JKGE CCCSc1ccc(-c2nn(-c3ccccc3)cc2/C=C2/C(=O)N(CC)C(=O)C(C#N)=C2C)cc1 38603175 NWOXLTAJEFDAEI-LFVJCYFKSA-N 482.609 5.654 50 10 JKGE CCCCCOc1ccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4ccccc4)ccc32)cc1OC 38660213 IIEKPDSTLGVQDA-HHHXNRCGSA-N 484.552 5.702 50 10 JKGE CCCCCOc1cccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)COc4ccccc4C)ccc32)c1 38684785 DWMABKJIDBMRNF-LJAQVGFWSA-N 498.579 5.767 50 10 JKGE CCCCNC(=O)/C(C#N)=C/c1ccc(OC(=O)/C=C/c2ccc(Cl)c(Cl)c2)c(OC)c1 40971298 VDPUJIJHWASRQY-WKZRCPIQSA-N 473.356 5.444 50 10 JKGE Cc1ccc(C)c(NC(=O)/C(C#N)=C\c2cc(Cl)ccc2OCc2cccc(Cl)c2)c1 59201325 CVNXKVZNZUJNRH-NDENLUEZSA-N 451.353 6.735 50 10 JKGE CCc1ccccc1NC(=O)/C(C#N)=C\c1cc(Cl)ccc1OCc1ccccc1Cl 59255611 ALXCXJDBDFYRDS-MOSHPQCFSA-N 451.353 6.680 50 10 JKGE C=CCNC(=O)/C(C#N)=C1\S[C@@H](Cc2ccc(C(C)C)cc2)C(=O)N1c1ccc(CC)cc1 101241442 NNWTYPCQSWNPQJ-FYAMCCBRSA-N 459.615 5.101 50 10 JKGE Cc1cc(C)cc(NC(=O)/C(C#N)=C2/N=C(NC(=O)c3ccc(Cl)cc3)c3ccccc32)c1 102608973 VUYIBMYUBGSZRY-GHVJWSGMSA-N 454.917 5.020 50 10 JKGE CCOC(=O)c1c(N/C=C(\C#N)c2nc(-c3ccc(C)cc3C)cs2)sc(C(=O)OC)c1C 102924476 SDZYTEVQWKALIE-LFIBNONCSA-N 481.599 5.737 50 10 JKGE Cc1ccc(NC(=O)/C(C#N)=C2/S[C@@H](Cc3cccc(Cl)c3)C(=O)N2c2ccccc2C)cc1 102973548 GVCLQOFOPVPMIB-ABPPERTMSA-N 488.012 6.022 50 10 JKGE CCCn1c(C)cc(/C=C(/C#N)C(=O)Nc2nc(-c3ccc([C@@H](C)NC(C)=O)cc3)cs2)c1C 105150679 AZGHRDNBDLIQIE-SUVVMJBMSA-N 475.618 5.381 50 10 JKGE Brc1ccc([C@H](Br)c2cc3c(cc2Br)OCCCO3)cc1 109865133 XWTLKTRHRFHBQE-INIZCTEOSA-N 476.990 5.857 50 10 JKGE CCOc1cc(Cl)c([C@@H](Br)c2ccc(Br)cc2Cl)cc1Cl 164552806 BBVSWQZEAOADQW-HNNXBMFYSA-N 473.419 7.292 50 10 JKGE CCCCCCOc1ccc(/C=C(/C#N)C(=O)Nc2ccccc2OCCCC)cc1OC 206258695 IEQUCBBTMSTKFD-PYCFMQQDSA-N 450.579 6.379 50 10 JKGE CCOc1ccc([C@H](Br)c2cc(Br)ccc2F)cc1Br 228995748 DRWJBCKHDXCGAR-HNNXBMFYSA-N 466.970 6.234 50 10 JKGE CCCOc1ccc([C@H](Br)c2ccc(Br)c(C)c2)cc1Br 229006121 DVPKJYKAEFUMBN-QGZVFWFLSA-N 477.034 6.793 50 10 JKGE COc1ccc([C@@H](Br)c2cc(Br)cc(Br)c2)cc1OC 234971380 NFEZYIITRMFVJV-OAHLLOKOSA-N 464.979 5.713 50 10 JKGE Cc1ccc(C)c(C[C@@H](Br)c2cc(Br)ccc2I)c1 235881592 UAXIAKOIZCVLRE-OAHLLOKOSA-N 494.008 6.349 50 10 JKGE Fc1ccc([C@@H](Br)c2cc(Cl)cc3c2OCC3)c(I)c1 236182595 BWNASGBZJXKQBI-CQSZACIVSA-N 467.503 5.503 50 10 JKGE C[C@@H](C[P+](c1ccccc1)(c1ccccc1)c1ccccc1)C(C)(C)O[Si](C)(C)C(C)(C)C 245189527 NODGGUHSGUWYCU-VWLOTQADSA-N 477.725 7.417 50 10 JKGE O=C(NN=Cc1ccc(N2N=C(c3ccccc3)C[C@@H]2c2ccccc2)cc1)c1ccccc1O 252596569 CKQCZHLUQPRLIP-HHHXNRCGSA-N 460.537 5.512 50 10 JKGE Cc1ccc(C=NNC(=O)CSc2nnc(-c3ccc(C(C)(C)C)cc3)n2-c2ccccc2)cc1 254304612 WMZYNDSXVSTUAR-UHFFFAOYSA-N 483.641 5.783 50 10 JKGE COc1ccc(C(=O)NN=Cc2ccc(N(c3ccccc3)c3ccccc3)cc2)cc1OC 254514688 RJGGXHVAIBFCIE-UHFFFAOYSA-N 451.526 5.938 50 10 JKGE CC(=NNC(=O)c1ccc(Br)s1)c1cccc(NC(=O)c2cccc(F)c2)c1 254617090 ILRASSJIXVKZTH-UHFFFAOYSA-N 460.328 5.056 50 10 JKGE CCCCCCCCCCCCCC(=O)NCC(=O)NN=Cc1cccc(OCc2ccccc2)c1 254783838 YSLQFLSIFNMGCU-UHFFFAOYSA-N 493.692 6.533 50 10 JKGE CCC(CC(=O)CCC(=O)Nc1ccc(C)c(C)c1)=NNC(=O)c1c(O)ccc2ccccc12 254866276 DYQJRQXGVFUIRA-UHFFFAOYSA-N 459.546 5.036 50 10 JKGE CCN(CC)c1ccc(C=NNC(=O)CSc2nnc(-c3ccccc3)n2-c2ccc(C)cc2)cc1 254907412 ZYWCNODMEWSXNP-UHFFFAOYSA-N 498.656 5.331 50 10 JKGE Brc1cc2c(cc1[C@H](Br)c1ccccc1OCc1ccccc1)OCCO2 381024928 USSVPQMZCZTHGH-JOCHJYFZSA-N 490.191 6.284 50 10 JKGE Fc1cc(Br)c(Cl)cc1[C@H](Br)c1cccc(OCc2ccccc2)c1 381370373 PRXJJXHDMGATHH-HXUWFJFHSA-N 484.590 7.305 50 10 JKGE O=C1CCCc2cc([C@@H](Br)c3sccc3I)ccc2N1 383691535 ARIURAADKVPTSU-CQSZACIVSA-N 462.150 5.112 50 10 JKGE Cc1oc(Br)cc1[C@H](Br)c1cc(Br)c(Br)s1 396677141 UZZBWZXJZJYDLY-VIFPVBQESA-N 493.840 6.421 50 10 JKGE C[C@H]1CN(Cc2ccccc2)C[C@H]1Cn1c(CCl)nc2cc(I)c(F)cc21 708571855 CKRDRKVSTTUYIA-HOCLYGCPSA-N 497.783 5.287 50 10 JKGE C[C@H](COCc1ccccc1)COc1c(Br)cc(CCl)cc1Br 719519349 GDUQGBQKMJAMGL-CYBMUJFWSA-N 462.609 6.182 50 10 JKGE Fc1ccc(C[C@H](Cl)c2ccc(I)c(Br)c2)cc1F 721571337 GETRRUSAIGZHTI-NSHDSACASA-N 457.483 5.855 50 10 JKGE COc1ccc([C@@H](Cl)c2ccc(I)c(Br)c2)cc1Cl 721605886 TWXYZYNZLDCTRC-AWEZNQCLSA-N 471.947 6.044 50 10 JKGE BrCC(CBr)(CC[C@H]1CCCCO1)c1cccc(Br)c1 829420834 RVWIQBXXOHDLJD-OAHLLOKOSA-N 469.055 5.826 50 10 JKGE COC(=O)[C@]12CC[C@@H](C)[C@H](C)[C@H]1C1=CC(=O)[C@@H]3[C@@]4(C)C(C#N)=C[C@@](C)(CO)[C@@H]4CC[C@@]3(C)[C@]1(C)CC2 888105670 TWWMZHOYONHAHA-JDFUCBMCSA-N 493.688 5.638 50 10 JKGE O=C(COc1ccc2cc(Br)ccc2c1Br)NN=Cc1ccc(F)cc1 1084027280 YXLIQMNBBIADQM-UHFFFAOYSA-N 480.131 5.033 50 10 JKGE CCOc1cc(C=NNC(=O)CSc2ccc(Cl)cc2)ccc1OCc1cccc(F)c1 1084121196 KPJHEGVVUQTFRM-UHFFFAOYSA-N 472.969 5.699 50 10 JKGE CCCCCCCCCCOc1ccc(C(=O)NN=C2CCCc3cc(OC)c(OC)cc32)cc1 1084502061 QTKWSPQMBDBTDX-UHFFFAOYSA-N 480.649 6.694 50 10 JKGE COc1ccc(C(=O)NN=C(C)c2ccc3c(c2)[C@@H]2C=CC[C@@H]2[C@H](c2cccc(OC)c2OC)N3)cc1 1084527131 ULRSRNSFLPDFHA-AWVRMFGXSA-N 497.595 5.693 50 10 JKGE CCc1cc([N+](=O)[O-])ccc1-c1ccc(/C=C(/C#N)C(=O)Nc2ccc(Br)c(C)c2C)o1 1084569474 OKDDMSILKOFNEJ-ATVHPVEESA-N 494.345 6.342 50 10 JKGE Cc1ccc(C(=O)NN=C2CCCc3oc(C(=O)Nc4cc(Cl)ccc4Cl)c(C)c32)cc1 1772745064 REWHEQJJVBODCY-UHFFFAOYSA-N 470.356 5.926 50 10 JKGE CC(C)(C)c1ccccc1OCC(=O)NN=C1C(=O)N(Cc2ccccc2Cl)c2ccccc21 1772752469 SAAVGTLDOYBCHF-UHFFFAOYSA-N 475.976 5.084 50 10 JKGE N#CSc1ccc(NC(=O)Oc2cccc3c(NC(=O)c4c(F)cccc4Cl)cccc23)cc1 1858773001 LRILFKYEKBFPST-UHFFFAOYSA-N 491.931 7.069 50 10 JKGE CC(C)(C)c1ccc([C@@H]2C(C#N)=C(N)Oc3c2c(-c2ccccc2)nn3Cc2ccccc2Cl)cc1 1865681982 CLHDIEQNTIVZNO-RUZDIDTESA-N 495.026 6.767 50 10 JKGE COc1ccc([C@H]2C(C#N)=C(N)Oc3c2c(-c2ccccc2)nn3-c2cccc(Cl)c2)cc1O 1865682159 HQFRXUYFISTEGU-QFIPXVFZSA-N 470.916 5.125 50 10 JKGE N#CC1=C(N)Oc2c(c(C(F)(F)F)nn2Cc2cccc(Cl)c2)[C@@H]1c1ccc(Cl)cc1 1865683129 GOTZWJFHOJNKSZ-MRXNPFEDSA-N 465.262 5.475 50 10 JKGE N#CC1=C(N)Oc2c(c(-c3ccccc3)nn2Cc2ccc(Cl)cc2)[C@@H]1c1ccc(O)cc1 1865683244 BIRCQNBPKPCXAL-JOCHJYFZSA-N 454.917 5.176 50 10 JKGE Cc1ccc(Cn2nc(-c3ccccc3)c3c2OC(N)=C(C#N)[C@@H]3c2cccc(Cl)c2)cc1 1865683935 QQIFTTOXFLWKEW-QHCPKHFHSA-N 452.945 5.778 50 10 JKGE CCCc1nn(-c2cccc(Cl)c2)c2c1[C@H](c1cccc(OC)c1OCC)C(C#N)=C(N)O2 1865693964 SKFSNIPSVRUYHU-OAQYLSRUSA-N 464.953 5.104 50 10 JKGE CCCn1nc(-c2ccccc2)c2c1OC(N)=C(C#N)[C@@H]2c1ccc(OCc2ccccc2C)cc1 1865702443 ALHMPMDUHOKGCT-SANMLTNESA-N 476.580 6.066 50 10 JKGE N#CC1=C(N)Oc2c(c(-c3ccccc3)nn2-c2cccc(Cl)c2)[C@H]1c1ccc(C(=O)O)cc1 1865708878 IEHSSDRYLNPBTL-NRFANRHFSA-N 468.900 5.109 50 10 JKGE CCc1ccc([C@@H]2C(C#N)=C(N)Oc3c2c(-c2ccc(OC)cc2)nn3-c2cccc(Cl)c2)cc1 1865708959 KDXCYUUQVBGJGI-XMMPIXPASA-N 482.971 5.982 50 10 JKGE CC(C)c1ccc([C@@H](C(=O)N[C@@H](C(=O)Nc2ccc(SC#N)cc2)c2ccccc2)C(C)C)cc1 1866964246 SUFWBLSMGPMMDI-RRPNLBNLSA-N 485.653 6.619 50 10 JKGE O=c1c(-c2ccc(Cl)cc2)c(C(F)(F)F)oc2cc(OCc3cccc(CCl)c3)ccc12 1871437256 OHUMFXLRUMDTLU-UHFFFAOYSA-N 479.281 7.450 50 10 JKGE N#C/C(=C(/O)CNC(=O)c1ccc(Cl)cc1Cl)c1nc(-c2ccc(Cl)cc2Cl)cs1 1872744781 IAHWDKZWBLEWLD-JXAWBTAJSA-N 499.206 6.646 50 10 JKGE N#C/C(=C(/O)CCCN1C(=O)c2ccccc2C1=O)c1nc(-c2ccc3c(c2)CCCC3)cs1 1872745642 WVWARFAEWSPSKN-GYHWCHFESA-N 469.566 5.558 50 10 JKGE COc1ccc(C(C)(C)C)cc1-c1csc(/C(C#N)=C(\O)c2ccc3nc(C)c(C)nc3c2)n1 1872751590 OHYFDLIHWMQSDH-QQTULTPQSA-N 470.598 6.626 50 10 JKGE COc1ccc(-c2csc(/C(C#N)=C(\O)c3ccc(N4CCCC4)c([N+](=O)[O-])c3)n2)c(C)c1C 1872754293 LMBQEKTVLOABGV-CLCOLTQESA-N 476.558 5.894 50 10 JKGE COc1cc(OC)c(-c2csc(/C(C#N)=C(O)/C=C/c3cccc([N+](=O)[O-])c3)n2)cc1Cl 1872756734 XVQDTXLKNMUPSR-PWHQALQLSA-N 469.906 5.895 50 10 JKGE COc1ccc(Cl)cc1-c1csc(/C(C#N)=C(\O)[C@@H]2CC(=O)N([C@@H](C)c3ccccc3)C2)n1 1872758668 KSSMUMMATGIJLR-ASQACNMASA-N 479.989 5.874 50 10 JKGE COc1ccc(Cl)cc1-c1csc(/C(C#N)=C(\O)[C@H](C)Oc2ccccc2C(C)C)n1 1872758902 WDSLKBURBSJODM-BXPXOOBPSA-N 454.979 6.856 50 10 JKGE N#C/C(=C\c1ccc(OCc2ccccc2Cl)cc1)c1nc(-c2ccc3c(c2)CCCC3)cs1 1872782904 WLDOFLVDKMQCHP-MFKUBSTISA-N 483.036 7.985 50 10 JKGE COc1ccc(-c2csc(/C(C#N)=C/c3ccccc3OCc3ccc(Cl)cc3)n2)c(OC)c1 1872793504 CVBIUDLMYWBKQI-DEDYPNTBSA-N 488.996 7.124 50 10 JKGE Cc1ccc([C@@H](Br)c2c(Br)c(C)nn2C)c(C)c1Br 1877181966 OOFNEIGOVOHRBA-CYBMUJFWSA-N 451.000 5.355 50 10 JKGE Fc1cc(Br)c2nc(CCl)n(CCCOCCOCc3ccccc3)c2c1 1912673798 FUIAPHWIBMBGGH-UHFFFAOYSA-N 455.755 5.300 50 10 JKGE Cc1nsc(Br)c1[C@H](Br)c1csc2c(Br)cccc12 1912973979 ACCUNTHUFWZHPH-LLVKDONJSA-N 482.060 6.676 50 10 JKGE C[C@@H](CBr)N(Cc1ccccc1)Cc1cc(C(F)(F)F)cc(C(F)(F)F)c1 1914340500 YOQHLWJVHGPELQ-ZDUSSCGKSA-N 454.252 6.510 50 10 JKGE Cc1ccc(F)c([C@@H](Br)c2c(Br)sc(Br)c2Cl)c1 1923040812 XCEYFYXWMNNIRN-SECBINFHSA-N 477.418 6.858 50 10 JKGE CCC1CC([C@@H](Br)c2c(Br)sc(Br)c2Br)C1 1924568377 FTWCQYULYMXROE-NPWHJSNTSA-N 495.900 6.908 50 10 JKGE FC(F)C1CC(C[C@@H](Br)c2c(Br)sc(Br)c2Cl)C1 1926950267 OCEYRPXTEUNVNR-JMMWHDCWSA-N 487.429 7.044 50 10 JKGE CN(CCN(Cc1ccccc1)c1cccc(Cl)c1CBr)Cc1ccccc1 1931965364 MGFAQFGQSBZVKL-UHFFFAOYSA-N 457.843 6.374 50 10 JKGE Clc1sc([C@@H](Cl)Cc2ccccc2I)cc1Br 1940445711 RJLYSOUZCBBLEN-VIFPVBQESA-N 461.977 6.291 50 10 JKGE CCN(C[C@](C)(CI)O[C@H]1CC[C@H]2CC[C@H]1C2)C(=O)OC(C)(C)C 1947121908 BZYOLKSGHLLMDH-DRMAHVMPSA-N 451.389 5.032 50 10 JKGE Brc1ccc([C@H](Br)Cc2cccs2)c(I)c1 1995284846 SWAZIIBBPJSWSS-LLVKDONJSA-N 471.983 5.794 50 10 JKGE Cc1cc([C@@H](Br)c2cc(Cl)sc2Cl)ccc1I 2026134347 ZXGFVRPQBSTHSB-LLVKDONJSA-N 461.977 6.452 50 10 JKGE Brc1cc([C@H](Br)c2ccc(CC3CC3)s2)sc1Br 2027410812 OCUKHXLTKUBAHF-GFCCVEGCSA-N 471.077 6.771 50 10 JKGE O=C(c1csc(Br)c1Br)N1CCCC[C@H]1CCBr 2032953244 FWBQVBPUBWCVNV-QMMMGPOBSA-N 460.029 5.053 50 10 JKGE Cc1sc(Br)c([C@H](Br)Cc2ncccc2Br)c1C 2039500748 NBHLUJXQGKAYNX-SNVBAGLBSA-N 454.025 5.964 50 10 JKGE ClCc1cccnc1Nc1cc(Br)c(Br)c(Br)c1 2039943506 HJJOLZBBXBMJPU-UHFFFAOYSA-N 455.375 5.852 50 10 JKGE Brc1ccc([C@H](Br)Cc2c(Br)cccc2Br)cc1 2050572355 WMTIJPQFGJTEOU-CQSZACIVSA-N 497.850 6.653 50 10 JKGE Cc1c(Br)sc([C@H](Br)[C@H]2CC23CC(F)(F)C3)c1Br 2069067064 BBADWABOSLOSPV-HTRCEHHLSA-N 464.995 6.453 50 10 JKGE Fc1cccc(CBr)c1OCc1c(Br)cccc1Br 2094090488 HXMUQNWZMTZKJA-UHFFFAOYSA-N 452.943 5.825 50 10 JKGE CN(c1ccc(Br)cc1CBr)[C@@H]1C[C@@H]2CC[C@H](C1)N2Cc1ccccc1 2094899687 DFVITTKEOSZUQN-AERCQKQUSA-N 478.272 5.976 50 10 JKGE C[C@@H]1CCC[C@]12[C@@H](Br)C[C@@H]2Oc1ccc(Br)cc1Br 2117008862 WZHMGEAABOWFRX-JUTUQKRISA-N 453.012 5.933 50 10 JKGE BrC[C@@H]1C[C@@H]2CC[C@H](C1)N2Cc1ccc(Br)cc1Br 2128150016 PMOYABLBNPTSBP-ZOZIMZAQSA-N 452.028 5.350 50 10 JKGE Cc1c(Br)ccc([C@@H](Cl)c2ccc(Br)c(F)c2)c1Br 2138863930 NKVJZHWQEXAXQO-AWEZNQCLSA-N 471.389 6.750 50 10 JKGE COc1c(Br)cc(C)cc1[C@H](Br)c1cc(C)c(Br)s1 2139003524 RUUYCDPROWKOFD-LBPRGKRZSA-N 469.036 6.383 50 10 JKGE Clc1cc(CN2CCC[C@H](CCBr)CC2)ccc1I 2142950092 OSISLZXLBLUQNT-GFCCVEGCSA-N 456.593 5.332 50 10 JKGE Cc1cccc(C[C@H](CBr)Cc2cccc(Br)c2)c1Br 2144189790 IQCNOUKHKXYBDE-CQSZACIVSA-N 461.035 6.316 50 10 JKGE Cc1ccc([C@H](Br)c2csc(Br)c2Br)c2ccccc12 2150341541 FIQIGACEWMJVGO-AWEZNQCLSA-N 475.043 7.219 50 10 JKGE Cc1csc([C@H](Br)c2cc3nc(O)[nH]c3cc2Br)c1Br 2157035982 RCCQCECUVZOVMN-LLVKDONJSA-N 481.007 5.648 50 10 JKGE Cc1c(Br)sc([C@@H](Br)Cc2ccc3c(c2)CCO3)c1Br 2168663742 VBWFBEUILBFBNK-NSHDSACASA-N 481.047 6.195 50 10 JKGE CN(C(=O)c1cc(Br)ccc1Br)[C@H]1CCCCC[C@H]1Br 2172546811 IZZKPUPKNZRZOS-KGLIPLIRSA-N 468.027 5.380 50 10 JKGE COc1cc([C@H](Br)c2ccc(C)c(Br)c2C)ccc1Br 2192150190 FRPWMKRNNNBKKZ-INIZCTEOSA-N 463.007 6.321 50 10 JKGE Cc1c(Br)sc([C@@H](Cl)c2cc(Br)cc(Br)c2)c1C 2218786765 BXJMCROLRPFEMR-NSHDSACASA-N 473.455 6.981 50 10 JKGE CC12CC([C@H](Br)c3cc(Br)c(Br)cc3F)(CCO1)C2 2225619594 KTFBALRTPIRQPN-IYXRBSQSSA-N 456.975 5.746 50 10 JKGE Fc1cc(Br)c(Br)cc1[C@H](Br)c1cc2sccc2s1 2225633325 IKHNHOGWDYUZSO-ZDUSSCGKSA-N 485.035 7.111 50 10 JKGE Cc1ccc([C@@H](Br)c2cc(Br)ccc2Br)c(F)c1F 2231133163 HVZDULDUAYKLCU-GFCCVEGCSA-N 454.934 6.283 50 10 JKGE COc1ccc([C@H](Br)c2sc(C)c(Br)c2C)c(Cl)c1Cl 2234464861 RLJRSXCHTCIKHI-NSHDSACASA-N 459.030 6.927 50 10 JKGE Cc1cc(Br)c([C@H](Br)[C@@H]2[C@H]3CCC(F)(F)[C@@H]32)c(C)c1Br 2235602461 DLLMFTAOTAQTGU-XFOOOJQKSA-N 472.993 6.556 50 10 JKGE Cc1cc(Br)c([C@H](Br)[C@H]2CCCOC2(C)C)c(C)c1Br 2235608300 JBBSWHURPZADGL-IAQYHMDHSA-N 469.055 6.470 50 10 JKGE COc1cc(Br)c([C@H](Br)Cc2ccc(Br)cc2)cc1C 2236007344 IXFHGLXPVYBRKU-CQSZACIVSA-N 463.007 6.207 50 10 JKGE Clc1cc([C@H](Br)c2ccc([C@@H]3CCOC3)s2)ccc1I 2240427347 RJYAFFXJAWXPER-BMIGLBTASA-N 483.596 5.994 50 10 JKGE CCc1cc([C@H](Br)c2nc(C)sc2Br)sc1Br 2248053966 XYEZCFIYAVAZLH-QMMMGPOBSA-N 460.054 6.085 50 10 JKGE Cl[C@@H](c1c(Br)sc(Br)c1Br)[C@]12COC[C@H](C1)C2 2250917849 JPJRMVQYQHIYHS-UPIMIWRCSA-N 465.432 5.742 50 10 JKGE Cc1sc([C@@H](Cl)c2cccc(Br)c2Br)c(Br)c1C 2253516364 MKHSHOYOMIFIOB-LBPRGKRZSA-N 473.455 6.981 50 10 JKGE CCc1cc([C@H](Cl)c2cccc(C)c2I)sc1Br 2256063255 YOELLVLKGMXYMJ-GFCCVEGCSA-N 455.586 6.314 50 10 JKGE CN(Cc1ccc(I)cc1)c1c(CCl)ccc(Br)c1Cl 2280336757 SPUNZCXFBPMQRC-UHFFFAOYSA-N 484.990 6.082 50 10 JKGE CC(C)c1cc(Br)cc([C@H](Br)Cc2ccncc2Br)c1 2280679252 OWRDJFQGXJHWML-OAHLLOKOSA-N 462.023 6.409 50 10 JKGE COc1c([C@H](Br)c2ccccc2OCc2ccccc2)cc(Br)c(C)c1C 2284522362 HRIXFABWPKNBPB-JOCHJYFZSA-N 490.235 7.138 50 10 JKGE Cc1ccc(C)c([C@@H](C)NC(=O)C(C#N)=Cc2cccn2Cc2ccc(Cl)cc2Cl)c1 2295412808 OPFWJFXXRFMWHA-GOSISDBHSA-N 452.385 6.244 50 10 JKGE CCn1c2ccccc2c2cc(NC=C(C#N)c3nc(-c4cccc(OC)c4)cs3)ccc21 2295948613 WMQNRXOAPZESLD-UHFFFAOYSA-N 450.567 6.923 50 10 JKGE O=C(NN=Cc1ccc(N2N=C(C=Cc3ccccc3)C[C@@H]2c2ccccc2)cc1)c1ccc(F)cc1 2297413529 OCOSQSRNZUSUKT-SSEXGKCCSA-N 488.566 6.610 50 10 JKGE CCCCCCC[C@@H](Br)c1ccc(OCc2ccccc2)cc1Br 2299496084 MPYJULYFSHUVQA-HXUWFJFHSA-N 454.246 7.825 50 10 JKGE Brc1ccc(OCc2ccccc2)c([C@H](Br)CC[C@@H]2CCOC2)c1 2299501885 RPCQAINPBJPLPJ-VQIMIIECSA-N 454.202 6.281 50 10 JKGE C[C@@H](CC(F)(F)F)[C@H](Br)c1cc(Br)ccc1OCc1ccccc1 2299502809 ZVFNJAMKOQJPEC-SJCJKPOMSA-N 466.135 7.053 50 10 JKGE Brc1cc(OCc2ccccc2)ccc1[C@@H](Br)C[C@@H]1C[C@H]2C[C@H]2C1 2299507802 HABXAFJLIZLCFW-CLWJZODNSA-N 450.214 6.900 50 10 JKGE Brc1cc(OCc2ccccc2)ccc1[C@@H](Br)C[C@@H]1CC[C@@H]2C[C@H]12 2299535850 TWTQZOFXOCEWGN-LPWQTFTOSA-N 450.214 6.900 50 10 JKGE N#CC(=Cc1ccc(OC(=O)c2ccc(Cl)cc2)cc1)C(=O)Nc1ccc(Cl)c(Cl)c1 2313631231 MNGWINUNJNTAPA-UHFFFAOYSA-N 471.727 6.412 50 10 JKGE CCOc1ccccc1[C@@H]1C(C#N)=C(N)Oc2cc(OC(=O)C=Cc3ccc(Cl)cc3)ccc21 2314634064 IPMSCOKBDAEKDS-SANMLTNESA-N 472.928 5.576 50 10 JKGE CCOc1cc(C=C(C#N)C(=O)NCc2ccco2)ccc1OC(=O)C=Cc1ccc(Cl)cc1 2314754525 USZMVFFWDQKCJK-UHFFFAOYSA-N 476.916 5.174 50 10 JKGE CCCCNC(=O)C(C#N)=Cc1ccc(OC(=O)c2ccccc2CCc2ccccc2)c(OC)c1 2314776845 OLGCENJGLKGGAJ-UHFFFAOYSA-N 482.580 5.523 50 10 JKGE C[C@@H](CCCCCI)NCc1ccc(Cl)c(I)c1 2315558518 WZQGJEKDNNNYBP-NSHDSACASA-N 491.582 5.418 50 10 JKGE Brc1cc(Br)c([C@@H](Br)[C@@H]2C[C@H]3CCC[C@H]2CC3)s1 2316789648 FBIKUEOQYSOTHE-XHSYRHOGSA-N 457.069 6.926 50 10 JKGE COc1cc(C=C(C#N)c2ccccc2F)ccc1OC(=O)[C@H](C)Oc1ccc(Cl)cc1Cl 2320506978 VWEXJVCWKJYUCQ-HNNXBMFYSA-N 486.326 6.578 50 10 JKGE CC(C)CC(CCl)(CCl)Cc1ccc(I)c(Br)c1 2325197142 MCWNGSABPMFPTG-UHFFFAOYSA-N 464.012 6.106 50 10 JKGE Cc1c(OCc2cccc(CCl)c2)ccc2c1OC(=Cc1ccccc1Br)C2=O 2325361393 OEZDUDYUTJYADJ-UHFFFAOYSA-N 469.762 6.692 50 10 JKGE CCCOc1ccc(CC(O)=C(C#N)c2nc(-c3ccc(-c4ccccc4)cc3)cs2)cc1 2331231580 DQXXFRBJSUEXIQ-UHFFFAOYSA-N 452.579 7.301 50 10 JKGE COc1cccc(-c2csc(C(C#N)=C(O)c3cc(C(F)(F)F)cc(C(F)(F)F)c3)n2)c1 2331248596 ATISVJNLZCXQFR-UHFFFAOYSA-N 470.394 6.806 50 10 JKGE CCCCc1ccc(N2C[C@H](C(O)=C(C#N)c3nc(-c4ccccc4OC)cs3)CC2=O)cc1 2331282005 RVVFQDZNUKSZLI-LJQANCHMSA-N 473.598 6.007 50 10 JKGE Cc1ccc(-c2csc(C(C#N)=C(O)c3ccc4c(c3)C(=O)N(C(C)(C)C)C4=O)n2)c(C)c1 2331308986 KBTCTIPBPVFWDL-UHFFFAOYSA-N 457.555 5.771 50 10 JKGE CCc1cccc(C)c1N1C[C@H](C(O)=C(C#N)c2nc(-c3ccc(OC)c(F)c3)cs2)CC1=O 2331336171 RQUDRFKBGSYVOR-GOSISDBHSA-N 477.561 5.674 50 10 JKGE COc1cc(C=CC(O)=C(C#N)c2nc(-c3cccc4ccccc34)cs2)cc(OC)c1OC 2331339262 SOQAPYUYSNLUOG-UHFFFAOYSA-N 470.550 6.495 50 10 JKGE C[C@H](Oc1ccc(Cl)cc1Cl)C(O)=C(C#N)c1nc(-c2ccc(F)c(F)c2)cs1 2331352455 XZGUOJOJOPOJGC-JTQLQIEISA-N 453.297 6.655 50 10 JKGE COc1cc(OC)c(-c2csc(C(C#N)=C(O)C=Cc3ccc(Cl)cc3Cl)n2)cc1Cl 2331378718 UUUSYMZCVCZBDK-UHFFFAOYSA-N 493.799 7.294 50 10 JKGE COc1cc(C=C(C#N)c2nc(-c3cc(Cl)cc(Cl)c3OC)cs2)cc(OC)c1O 2331467186 MKIIWGAGOBFONS-UHFFFAOYSA-N 463.342 5.912 50 10 JKGE CCOc1ccc(-c2csc(C(C#N)=Cc3cc(OC)c(O)c(OC)c3)n2)c(OCC)c1 2331473846 INAKCAUOHYGCOP-UHFFFAOYSA-N 452.532 5.394 50 10 JKGE CC[C@@]12CC[C@@]([C@@H](Br)c3ccc(OCc4ccccc4)cc3Br)(CO1)C2 2336044616 PJKMDNQOUNYFSX-FKBYEOEOSA-N 480.240 6.813 50 10 JKGE COc1cccc([C@H](Br)c2cc(Br)ccc2OCc2ccccc2)c1Cl 2336045693 YMKMRSGYQMAISF-FQEVSTJZSA-N 496.626 7.174 50 10 JKGE CCc1ccc([C@H](Br)c2c(Cl)cc(Br)c(F)c2Br)s1 2337092694 UWMKVNOVNFPYTL-NSHDSACASA-N 491.445 7.112 50 10 JKGE COc1ccc(C[C@H](Br)c2cc(Br)c(C)s2)c(Br)c1 2338884893 KFKKCYXOSFIBSU-ZDUSSCGKSA-N 469.036 6.269 50 10 JKGE Fc1cccc(OCc2ccc(Cl)cc2I)c1CBr 2340110343 OLKCVSBFQRMLRL-UHFFFAOYSA-N 455.492 5.558 50 10 JKGE FC(F)(F)c1ccc([C@H](Cl)c2sc(Cl)cc2I)c(Cl)c1 2364113681 BTZQUJKCXLJYHV-JTQLQIEISA-N 471.496 7.007 50 10 JKGE Cc1ccccc1[C@@H](CBr)OCc1c(Br)cccc1Br 2366145166 OHAUUBAGPACZLJ-MRXNPFEDSA-N 463.007 6.173 50 10 JKGE CN(Cc1c(Br)cccc1Br)C(=O)[C@H](Br)C1CCCC1 2366157774 NOQIWTRPPNPZJA-CQSZACIVSA-N 468.027 5.124 50 10 JKGE Fc1cc(OCc2ccc(Br)cc2Br)cc(Cl)c1CBr 2379785028 ZPEVEZFUDDZJFZ-UHFFFAOYSA-N 487.388 6.478 50 10 JKGE CC(C)(C)Oc1ccc([C@@H](Br)c2csc(Br)c2)cc1Br 2381301892 LXTSIZWGVWVIPV-CQSZACIVSA-N 483.063 6.935 50 10 JKGE N#CC1=C(N)Oc2[nH]nc(-c3cccs3)c2[C@@H]1c1cn(-c2ccccc2)nc1-c1ccccc1 987151 VHZVZWWSUNZDDD-NRFANRHFSA-N 462.538 5.209 50 10 JKGE COc1cccc([C@@H]2C(C#N)=C3N=C(N)c4ccccc4N3C3=C2C(=O)C[C@@H](c2ccccc2)C3)c1 3654398 HJWCBHFRONBXNG-CCLHPLFOSA-N 472.548 5.154 50 10 JKGE CC(C)CC(=O)Nc1ccc(C(=O)NNC(=O)COc2ccc(C(C)(C)C)cc2C(C)(C)C)cc1 14661748 ONCVBXKPXLCAQF-UHFFFAOYSA-N 481.637 5.106 50 10 JKGE COc1cc(/C=C(/C#N)c2ccccc2)ccc1OC(=O)/C=C/c1ccc(OCc2ccccc2)cc1 31901891 KGOPCPHJJQTGME-MVVCTWBSSA-N 487.555 6.957 50 10 JKGE COc1ccc(/C=C(/C#N)C(=O)Nc2ncc(Cc3ccc(C)c(Cl)c3)s2)cc1OC 33285013 XMOHXWFIPLZSPL-IUXPMGMMSA-N 453.951 5.259 50 10 JKGE CCCCCCOc1ccc(OCCOc2ccc(/C=C(/C#N)C(=O)OCC)cc2OC)cc1 33569175 CJELKVNYVHUYCM-PYCFMQQDSA-N 467.562 5.582 50 10 JKGE CC1=C(C#N)C(=O)N(CC(C)C)C(=O)/C1=C/c1cn(-c2ccccc2)nc1-c1ccc(C)c(F)c1 38605554 ZQWNILUGYOHHFP-FSJBWODESA-N 468.532 5.235 50 10 JKGE CC(C)Oc1ccc(C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@H]3c2cccc3ccccc23)cc1 38657813 OIQCAASXJYIEIL-NDEPHWFRSA-N 476.532 6.064 50 10 JKGE C=CCOc1cccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4ccc(OCCC)cc4)ccc32)c1 38684559 AFKFIQHOPRFGFV-MHZLTWQESA-N 482.536 5.478 50 10 JKGE N#C/C(=C\c1ccc(-c2ccc([N+](=O)[O-])cc2Cl)o1)C(=O)Nc1cc(C(F)(F)F)ccc1Cl 39884855 RORZNRKVWWBJMV-YRNVUSSQSA-N 496.228 6.726 50 10 JKGE Cc1c(C(=O)Nc2cccnc2)oc2c1/C(=N/NC(=O)c1ccc(-c3ccccc3)cc1)CCC2 40822704 ARAMEFXOWQWNFN-UQRQXUALSA-N 464.525 5.373 50 10 JKGE COc1cc(/C=C(\C#N)C(=O)NCc2ccccc2)ccc1OC(=O)/C=C/c1ccc(C(C)C)cc1 40869991 RVQJKJKZPIMYRF-OZVSRTATSA-N 480.564 5.661 50 10 JKGE COc1ccc(/C=N/NC(=O)COc2cc(C)c(Br)cc2C(C)C)cc1Br 40902927 ICSDEAMFDOQVGO-AUEPDCJTSA-N 498.215 5.181 50 10 JKGE COc1cc(/C=N/NC(=O)[C@@H](C)Oc2cc(C)c(Cl)c(C)c2)ccc1OCCc1ccccc1 40960392 QRPHHPBKHJTMLK-IIELIFRRSA-N 480.992 5.505 50 10 JKGE N#C/C(=C/c1cc(Br)ccc1OCc1ccccc1F)C(=O)Nc1ccc(Cl)cc1 59116879 FKRNLEBVWAVESL-BOPFTXTBSA-N 485.740 6.366 50 10 JKGE Cc1ccc(NC(=O)/C(C#N)=C/c2cccc(OCc3ccc(Br)cc3)c2)cc1C 59232844 XKOVDAJDCHGPAK-FYJGNVAPSA-N 461.359 6.191 50 10 JKGE C=CCc1cc(/C=N/NC(=O)c2cc3ccccc3o2)cc(OCC)c1OCc1ccc(F)cc1 59304415 XNOSSUCBVOLGKF-OCSSWDANSA-N 472.516 6.042 50 10 JKGE Cc1cc(C)c2[nH]c(-c3ccccc3)c(/C=C(\C#N)C(=O)Nc3cccc(Br)c3)c2c1 59513135 AYEGRMVZKUQHIM-CPNJWEJPSA-N 470.370 6.760 50 10 JKGE C=CCn1c(CNc2cccc3ccccc23)nnc1SCC(=O)N/N=C(\C)CCCC 59915318 RFHNWSUFCSOJHI-NLRVBDNBSA-N 450.612 5.004 50 10 JKGE Fc1ccc(C[C@@H](CBr)Cc2ccc(Br)cc2)cc1Br 97183125 TXTWBRXQOWMYPC-ZDUSSCGKSA-N 464.998 6.147 50 10 JKGE N#C/C(=C/c1ccc(OCc2c(Cl)cccc2Cl)cc1)C(=O)Nc1nc2ccccc2s1 102443979 JPMDUCLEITUYRO-VBKFSLOCSA-N 480.376 6.728 50 10 JKGE Cc1cccc(C)c1N/C=C(\C#N)c1nc(-c2cc3cc(Br)ccc3oc2=O)cs1 102456764 IMANQUMENADWAW-LFIBNONCSA-N 478.371 6.272 50 10 JKGE COc1cc(C)c(Br)cc1[C@H](Cl)c1cccc(I)c1 115069849 DGRNSSOHYKRJMY-OAHLLOKOSA-N 451.529 5.699 50 10 JKGE COc1c(C)cc(Br)c(C)c1[C@@H](Cl)c1ccc(I)cc1 125657550 XKSONNIXJOUGQI-HNNXBMFYSA-N 465.556 6.007 50 10 JKGE Fc1cccc([C@@H](Br)c2cc3c(cc2Br)OCCO3)c1Br 156106094 VUKMLMHJBQEJSO-CQSZACIVSA-N 480.953 5.606 50 10 JKGE Fc1ccc([C@H](Cl)c2cc(Br)ccc2Br)cc1Br 161112817 DQUDXFIOWNSJBK-ZDUSSCGKSA-N 457.362 6.441 50 10 JKGE COc1ccc([C@@H](Br)c2cc(Cl)ccc2I)cc1F 234974599 CKWCKRASZQNJAZ-CQSZACIVSA-N 455.492 5.577 50 10 JKGE COc1ccc([C@@H](Br)c2ccc(Br)cc2Br)cc1F 234976855 WCEIRDCGZVKWHI-CQSZACIVSA-N 452.943 5.844 50 10 JKGE Cc1cc([C@H](Cl)c2ccc(F)cc2I)c(C)cc1Br 235886417 VQRWINRCCNLLMI-OAHLLOKOSA-N 453.520 6.138 50 10 JKGE Fc1ccc([C@@H](Br)c2cc(I)ccc2Br)c(F)c1 236176464 KJGOLUBLFRFRAC-CYBMUJFWSA-N 487.907 5.816 50 10 JKGE CC(=NNC(=O)c1c(-c2ccccc2)noc1C)c1ccc(NC(=O)c2ccccc2F)cc1 252596540 CKEKKUFBCNLQEQ-UHFFFAOYSA-N 456.477 5.195 50 10 JKGE Cc1ccc(-c2nn(-c3ccccc3)cc2C=NNC(=O)[C@@H](C)Oc2cccc3cccnc23)cc1 252599477 DJSJUNHMSSLRND-OAQYLSRUSA-N 475.552 5.314 50 10 JKGE CCCCCCCCCCCC(=O)NN=Cc1ccc(OC(=O)c2ccc(C)cc2)c(OC)c1 254556435 PPMXLJUPNRCPEN-UHFFFAOYSA-N 466.622 6.594 50 10 JKGE CCCCCCCCCCCCCCCCCC(=O)NN=Cc1ccc(OCCCC)cc1 254566103 CWPZLHXCAAZYTD-UHFFFAOYSA-N 458.731 8.577 50 10 JKGE Cc1cc(OCc2ccc(C(=O)NN=C(c3ccccc3)c3ccccn3)cc2)ccc1Cl 254659386 UELYTWZMVRQBKZ-UHFFFAOYSA-N 455.945 5.805 50 10 JKGE O=C(CSc1nnc(SCc2ccccc2)s1)NN=Cc1ccc(-c2ccccc2)cc1 254760336 YSRMTPMLDMWXJI-UHFFFAOYSA-N 476.652 5.740 50 10 JKGE C[C@H]1CCC[C@H](CC(CBr)(CBr)c2ccc(Br)cc2)C1 383875931 ZAALACRWSSOMTP-KBPBESRZSA-N 467.083 6.693 50 10 JKGE C[C@@H](Br)CC(C)(C)CNC(=O)c1cc(Br)cc(Br)c1 393553468 KLAIBMFHJCQMIG-SECBINFHSA-N 456.016 5.141 50 10 JKGE Cc1c(Cl)cccc1[C@H]1CN(C(=O)OCc2ccccc2)C[C@H]1CI 394692393 PJRLDQGFVPZCDE-AEFFLSMTSA-N 469.750 5.436 50 10 JKGE Cc1ccc(Br)cc1[C@H](Br)c1ccc(F)c(Br)c1F 691638218 YLCJYNIZPRYSQV-GFCCVEGCSA-N 454.934 6.283 50 10 JKGE COCc1cc(Br)c([C@H](Br)c2ccc(OCc3ccccc3)cc2)s1 710888135 FTFXQSWNCPBVBG-LJQANCHMSA-N 482.237 6.720 50 10 JKGE Fc1cc([C@H](Cl)c2ccc(I)c(Br)c2)c(F)c(F)c1F 721605318 RMFLDDFAEUKSQX-SNVBAGLBSA-N 479.436 5.938 50 10 JKGE O=C(NN=Cc1ccc(Sc2nnc(-c3ccccc3)n2-c2ccccc2)o1)c1ccccc1 1083891768 SXIOZQMKKOWXEK-UHFFFAOYSA-N 465.538 5.442 50 10 JKGE CC(C)=CCC/C(C)=C\C=NNC(=O)COc1ccc(Br)cc1Br 1083934081 QNOXJCUNIMKODI-VYFLEUFZSA-N 458.194 5.385 50 10 JKGE O=C(Cl)/C=C\c1cc(Cl)c(OCc2ccc(Cl)cc2Cl)c(Br)c1 1084341078 RSBQAADAKWLGNB-RJRFIUFISA-N 454.962 6.767 50 10 JKGE O=C(NN=Cc1cccc(OCc2cccc(Br)c2)c1)c1ccc(Br)cc1 1084604233 DPAHLXUEUAMLFA-UHFFFAOYSA-N 488.179 5.555 50 10 JKGE COc1ccc(C=NNC(=O)COc2ccc(C(C)C)cc2Br)c2ccccc12 1084653097 BANXAFCVXQJPBJ-UHFFFAOYSA-N 455.352 5.263 50 10 JKGE Cc1c(C(=O)Nc2nc3ccccc3s2)oc2c1C(=NNC(=O)c1ccccc1F)CCC2 1772744614 YNBGTEJZXBRLEY-UHFFFAOYSA-N 462.506 5.060 50 10 JKGE Cc1ccc(-n2nc(-c3ccccc3)c3c2OC(N)=C(C#N)[C@@H]3c2c(F)cccc2Cl)cc1 1865681931 BCWDFXNRLZRPGT-OAQYLSRUSA-N 456.908 5.858 50 10 JKGE N#CC1=C(N)Oc2c(c(C(F)(F)F)nn2-c2ccccc2)[C@H]1c1ccc(OCc2ccccc2)cc1 1865690673 YOWLOPBBPJICJJ-QFIPXVFZSA-N 488.469 5.688 50 10 JKGE CCCOc1cccc([C@@H]2C(C#N)=C(N)Oc3c2c(CCC)nn3-c2ccc(Br)cc2)c1 1865693211 IHIDDQSHQIUPLA-JOCHJYFZSA-N 493.405 5.594 50 10 JKGE CCCc1nn(-c2cccc3ccccc23)c2c1[C@H](c1ccc(OCC)cc1)C(C#N)=C(N)O2 1865693630 LDIUCJPUFKPFQG-RUZDIDTESA-N 450.542 5.595 50 10 JKGE COc1ccc(-c2nn(-c3ccc(C)cc3)c3c2[C@@H](c2c[nH]c4ccccc24)C(C#N)=C(N)O3)cc1 1865700280 OTQWEKBMNYAQKF-RUZDIDTESA-N 473.536 5.556 50 10 JKGE Cc1nc(-c2ccc(Cl)cc2Cl)ccc1C(=O)NNC(=O)[C@@H](C)Oc1ccc(Cl)cc1 1865759644 KSIYTSUWLMGXKN-CYBMUJFWSA-N 478.763 5.246 50 10 JKGE O=C(CCCCCCCCCCN1C(=O)c2ccccc2C1=O)Nc1nnc(CCl)s1 1865898927 KNPZAJZMZVSOLX-UHFFFAOYSA-N 463.003 5.023 50 10 JKGE CCOC(=O)c1c(NC(=O)/C(C#N)=C/c2ccc(C)cc2)sc(C)c1-c1ccc(Cl)cc1 1866127137 KJZDYCXUGAHWET-CPNJWEJPSA-N 464.974 6.408 50 10 JKGE CSCC[C@H](NC(=O)/C(C)=C/c1ccccc1Cl)C(=O)Nc1ccc(SC#N)cc1 1866817334 CVBABURSZSAIGK-GUCAUAJOSA-N 460.024 5.193 50 10 JKGE CCCC[C@H](NC(=O)[C@H](C)c1ccc(Br)cc1)C(=O)Nc1ccc(SC#N)cc1 1866946569 QLWXHTCQIVZVMZ-QRWLVFNGSA-N 474.424 5.439 50 10 JKGE COc1cccc2cc(-c3cc(=O)oc4cc(OCc5ccc(CCl)cc5)ccc34)c(=O)oc12 1871436844 SPJCOLRYOJLJIE-UHFFFAOYSA-N 474.896 5.893 50 10 JKGE CCCCC1CCC(/C(O)=C(\C#N)c2nc(-c3cc(OCC)ccc3OCC)cs2)CC1 1872755067 XDHMBDANLBNVGH-LVWGJNHUSA-N 454.636 7.397 50 10 JKGE COc1c(Cl)cc(-c2csc(/C(C#N)=C(\O)c3cccc4ccccc34)n2)cc1Cl 1872756259 VXFSWYYBLKYHMP-FXBPSFAMSA-N 453.350 7.229 50 10 JKGE COc1ccc(-c2csc(/C(C#N)=C/c3ccc(OCc4ccc(C)cc4)cc3)n2)cc1OC 1872781586 KUEBEAHAOXIVIR-OEAKJJBVSA-N 468.578 6.779 50 10 JKGE COc1cc(/C=C(\C#N)c2nc(-c3ccc(C(C)C)cc3)cs2)ccc1OCc1ccccc1 1872791620 OISDZWGZLRGZHS-MFKUBSTISA-N 466.606 7.585 50 10 JKGE COc1cc(/C=C(\C#N)c2nc(-c3cc(C(C)(C)C)ccc3C)cs2)cc(Br)c1O 1872794135 LNZSGSPSDGUCPF-LZYBPNLTSA-N 483.431 6.957 50 10 JKGE CCCOc1ccc(-c2csc(/C(C#N)=C(\O)Cc3ccc(Cl)cc3)n2)cc1OCCC 1872817885 BTIPGKBQBDTMFH-XDOYNYLZSA-N 469.006 7.076 50 10 JKGE CC(C)(C)OC(=O)N[C@H](CBr)[C@@H]1CCN(C(=O)OC(C)(C)C)C2(CCCC2)C1 1891721229 OHWJNXSTRXMBPL-HZPDHXFCSA-N 461.441 5.235 50 10 JKGE Cc1cc(Br)c([C@@H](Cl)c2c(C)nsc2Br)cc1Br 1912975575 CFBWRUAMJGOQPY-LLVKDONJSA-N 474.443 6.376 50 10 JKGE Cc1nsc(Br)c1C(=O)N(Cc1ccccc1)[C@H](CBr)C(C)C 1915304592 YISYCWNDVSPJGH-CQSZACIVSA-N 460.235 5.276 50 10 JKGE COc1ccsc1[C@H](Br)c1sc(Br)c(C)c1Br 1922943358 VHYFYUCZSQDJRM-QMMMGPOBSA-N 461.038 6.136 50 10 JKGE FC1(F)[C@H]2C[C@@H]([C@@H](Br)c3c(Br)sc(Br)c3Cl)CC[C@H]21 1923068231 OOBSHVINLKXOBW-SKHQTKALSA-N 499.440 7.044 50 10 JKGE C[C@@H](c1ccncc1Br)[C@H](Br)c1cc(Cl)cc(Br)c1 1924041030 STSFYUCCLGMSRS-RTHLEPHNSA-N 468.414 6.500 50 10 JKGE C[C@@H](c1ccncc1Br)[C@H](Br)c1ccc(Br)c(Cl)c1 1924041971 YDWXKMKKZFLJMN-RTHLEPHNSA-N 468.414 6.500 50 10 JKGE C[C@@H]1Cc2cc(Br)cc([C@H](Br)c3csnc3Br)c2O1 1925265101 VTNDZVICXIOFCY-KBUNVGBDSA-N 468.008 5.476 50 10 JKGE Clc1sc(Br)c(Cl)c1[C@@H](Br)c1occc1Br 1925618586 ROEPZPUDMVXLAE-RXMQYKEDSA-N 469.807 6.657 50 10 JKGE Cc1sc(Br)c(C(=O)N(Cc2ccccc2)[C@H](CBr)C2CC2)c1C 1951017493 AVXZKPKNZPHZMF-MRXNPFEDSA-N 471.258 5.943 50 10 JKGE Cc1c(Br)sc([C@H](Br)c2ccsc2Cl)c1Br 1983219998 RFXXAHMQMHZECM-SSDOTTSWSA-N 465.457 6.781 50 10 JKGE Brc1sc(Br)c([C@H](Br)C23CC(CO2)C3)c1Br 1989835177 WKMWQAMEJDRBGG-JGPKUNILSA-N 495.856 5.651 50 10 JKGE N#CC(=Cc1ccc(Cl)cc1Cl)c1nc(-c2ccc(-c3ccc(Cl)cc3Cl)o2)cs1 2040751059 GBNSWOMDETXVFM-UHFFFAOYSA-N 492.214 8.748 50 10 JKGE BrCc1c(Br)cccc1N1[C@H]2CCC[C@H]1CN(Cc1ccccc1)C2 2061944392 IEVUBKVFZNWGJL-ROUUACIJSA-N 464.245 5.587 50 10 JKGE CCCc1ccc(Cn2nc(CBr)c(I)c2C(F)(F)F)cc1 2079245431 DVEXNNSGTMKEEV-UHFFFAOYSA-N 487.101 5.402 50 10 JKGE Fc1cc(Br)c([C@@H](Br)c2nscc2Br)c(F)c1Cl 2081838587 MVBURERDNWQLQF-SSDOTTSWSA-N 482.369 6.084 50 10 JKGE Cc1cc(C)c([C@H](Br)c2cc(Br)n(C)n2)c(C)c1Br 2094081894 IKCZWQRJGABGBS-CQSZACIVSA-N 451.000 5.355 50 10 JKGE Clc1ccccc1[C@@H](CBr)Cc1c(Br)cccc1Br 2094094815 GMLJVYAVBNICGF-SNVBAGLBSA-N 467.426 6.586 50 10 JKGE O=S(=O)(c1cc(CCl)sc1Br)N(Cc1ccccc1)CC1CCCCC1 2095813144 GABZMRYJSVNDRF-UHFFFAOYSA-N 476.889 6.021 50 10 JKGE Cc1csc(CN(C)c2cccc(Br)c2CBr)c1Br 2100799751 BBYLDQQRWBATDM-UHFFFAOYSA-N 468.052 6.113 50 10 JKGE CC1(C)OCCC[C@@]1(CBr)Cc1cccc(Br)c1Br 2130452861 RHTPBZNOKARGHM-HNNXBMFYSA-N 455.028 5.724 50 10 JKGE Cc1cc(Br)c(C)c([C@H](Br)C2(C)CCOCC2)c1Br 2136377688 RDXFUNDCWDFRSK-AWEZNQCLSA-N 455.028 6.081 50 10 JKGE Cc1cc(Cl)c(Br)cc1[C@H](Cl)c1ccc(Br)cc1Br 2137656784 QHGXZTCDSYXNHK-CQSZACIVSA-N 487.844 7.264 50 10 JKGE ClC[C@H](Cc1cccc(Br)c1)Cc1ccc(Br)cc1Br 2148680985 GUWQSOBFTXRFKZ-GFCCVEGCSA-N 481.453 6.614 50 10 JKGE Cc1cccc(C[C@H](CBr)Cc2cccc(Br)c2Br)c1 2148754929 XBJHWROOQCWOIL-AWEZNQCLSA-N 461.035 6.316 50 10 JKGE CCn1ncc(Br)c1COc1c(Br)cc(Br)cc1CCl 2150694577 AXPGFNVPHTZRKI-UHFFFAOYSA-N 487.417 5.508 50 10 JKGE CCC(CC)(Cn1c(CCl)nc2cc(I)ccc21)N(C)Cc1ccccc1 2155101709 MXCMRHZNMXOISJ-UHFFFAOYSA-N 495.836 6.071 50 10 JKGE Cc1cc2sc([C@H](Br)c3cc(Br)c(Cl)cc3F)cc2s1 2156534011 UWIUOFNSGCQWFH-CQSZACIVSA-N 454.611 7.311 50 10 JKGE Clc1sc([C@@H](Br)c2ccc(Br)c3ccccc23)cc1Br 2172568970 IGRAWDSTMZIDHY-AWEZNQCLSA-N 495.461 7.564 50 10 JKGE CCCOc1ccc([C@@H](Br)c2cn(C)nc2Br)cc1Br 2173180983 AFLUYMPVNMHNPD-CYBMUJFWSA-N 466.999 5.218 50 10 JKGE FC1(F)CCC2(CC1)[C@@H](Br)C[C@@H]2Oc1cccc(I)c1 2177597078 YENWOZCMIXXQFW-STQMWFEESA-N 457.096 5.402 50 10 JKGE Cc1c([C@@H](Br)c2cc(Cl)c(Cl)c(Cl)c2Cl)c(Br)nn1C 2188149767 FVNMMYUCFQUWEB-QMMMGPOBSA-N 481.830 6.589 50 10 JKGE C[C@@H]1OC2(CC(CBr)(CBr)c3ccc(Br)cc3)CC1C2 2188986831 RSOPPXUZTZHQMT-FZWSLVFFSA-N 467.039 5.434 50 10 JKGE CC1(C)C[C@](C)(CBr)CN1C(=O)c1cc(Br)ccc1Br 2199543763 ZIAHIXGJIUYISW-OAHLLOKOSA-N 468.027 5.237 50 10 JKGE COc1c(Br)cc(C)cc1[C@H](Br)c1cc(F)ccc1Br 2203830313 OVLYCQKHKNPVRK-CQSZACIVSA-N 466.970 6.152 50 10 JKGE CC[C@@H](Br)CN(Cc1ccccc1)C(=O)c1sc(C)c(Br)c1C 2210613910 INZCWZZWEVVOEV-OAHLLOKOSA-N 459.247 5.943 50 10 JKGE Fc1cc(Br)c(Br)cc1[C@@H](Cl)c1cscc1Br 2213493209 UBQQEEOYPFIILU-LLVKDONJSA-N 463.391 6.503 50 10 JKGE O=S1(=O)CCC[C@H]1[C@@H](Br)c1c(Br)cc(Cl)c(Cl)c1Cl 2224313446 TZUASLMSOOTEAY-IONNQARKSA-N 471.425 5.423 50 10 JKGE Brc1ccc(Br)c([C@H](Br)[C@@H]2OC[C@H]3CCCC[C@H]32)c1 2224953851 ZAQRKJYGVHWECX-CJIMWGSBSA-N 453.012 5.853 50 10 JKGE Fc1cc(Br)c(Br)cc1[C@H](Cl)Cc1cccc(Br)c1 2225632687 DSZANQRWFQMCOO-CYBMUJFWSA-N 471.389 6.636 50 10 JKGE C[C@@H](Cl)c1nc2cc(Br)c(Br)cc2n1[C@H](C)CN(C)Cc1ccccc1 2225684153 ATPIKYWAFSFZCU-ZIAGYGMSSA-N 499.678 6.554 50 10 JKGE Cc1cc(Br)c([C@H](Cl)c2sc(C)c(Br)c2C)cc1Br 2226085398 AEXFXHKQZIJJKN-ZDUSSCGKSA-N 487.482 7.289 50 10 JKGE Fc1cc(F)c([C@@H](Br)c2cc(Cl)c(Cl)s2)c(F)c1Br 2227803123 KSCCCOBFQRQDBT-VIFPVBQESA-N 454.920 6.719 50 10 JKGE Cc1cc(Br)c([C@H](Br)[C@H]2CCC[C@H]2C(C)C)c(C)c1Br 2235605413 RPXVHRZPMIBPFX-GDZNZVCISA-N 467.083 7.337 50 10 JKGE ClC[C@@H](I)[C@@H](CCl)OCc1cc(Br)ccc1Cl 2252738190 XMIFKPPZHRFZLV-GHMZBOCLSA-N 472.375 5.269 50 10 JKGE CN(C[C@H](Br)COCc1ccccc1)c1ccnc2ccc(Br)cc12 2257468160 WTYVIKGOOJNAPM-KRWDZBQOSA-N 464.201 5.414 50 10 JKGE CN(Cc1ccccc1I)c1ccc(CBr)c(Br)c1 2265542324 BVQBQCXHDWOZLL-UHFFFAOYSA-N 494.996 5.585 50 10 JKGE CCc1cc([C@@H](Br)c2cc(Cl)c(C)cc2Br)sc1Br 2267765388 LPXJNQPNTDPCTP-ZDUSSCGKSA-N 487.482 7.282 50 10 JKGE COc1cc(C)c(Br)c(C)c1[C@@H](Br)c1occc1Br 2269621362 MCOCKYRYRDROSQ-CYBMUJFWSA-N 452.968 5.914 50 10 JKGE COc1cc(C)c(Br)c(C)c1[C@@H](Br)c1ccsc1Br 2269626162 XZHZHHJBTIQCHA-ZDUSSCGKSA-N 469.036 6.383 50 10 JKGE C=CC[C@@]1(CBr)CCN(C(=O)c2csc(Br)c2Br)C1 2272172584 JLNFBQZSPLZJDV-ZDUSSCGKSA-N 472.040 5.076 50 10 JKGE COc1ccnc(Oc2cc(I)ccc2Cl)c1CBr 2272638614 HHQMMWSAPXGGFK-UHFFFAOYSA-N 454.489 5.035 50 10 JKGE Fc1cc(Br)c(F)c(Br)c1[C@H](Br)[C@H]1[C@H]2[C@H]3C[C@@H]1C[C@H]32 2272848329 UZOWMMGMHSMECR-DBLLCMLWSA-N 456.950 5.828 50 10 JKGE C[C@@H]1CCC[C@H]([C@@H](Br)c2c(F)cc(Br)c(F)c2Br)C1 2272853257 JFZYNYHZTAKSTI-RGNHYFCHSA-N 460.982 6.752 50 10 JKGE FC[C@@]12CC[C@@]([C@H](Br)c3cc(Br)ccc3Br)(CO1)C2 2274686506 MFIXECSMXXJHBP-RDBSUJKOSA-N 456.975 5.556 50 10 JKGE COc1cc(Cl)c(Cl)cc1[C@H](Br)c1cc(C)ccc1I 2279058412 RSIQLXSSJDDVFG-OAHLLOKOSA-N 485.974 6.399 50 10 JKGE CC(C)(C1CCCC1)[C@H](Br)c1c(F)cc(Br)c(F)c1Br 2288372628 ADSSNHMFINTKEO-CQSZACIVSA-N 475.009 7.142 50 10 JKGE N#CC(=Cc1ccc(OCCOc2ccc(Cl)cc2)c(Cl)c1)C(=O)NCc1ccco1 2293993091 AEGOPMHSBIRKDJ-UHFFFAOYSA-N 457.313 5.268 50 10 JKGE CC1CCN(C(=O)C(C#N)=C2S[C@H](Cc3ccc(Cl)cc3)C(=O)N2c2ccccc2)CC1 2296507055 RATHZFGWIWJQID-JOCHJYFZSA-N 466.006 5.025 50 10 JKGE N#CC(C(=O)Nc1ccc(Cl)cc1)=C1S[C@@H](Cc2ccc(F)cc2)C(=O)N1c1ccccc1 2296834370 CKNBDFIZCZYIQZ-QFIPXVFZSA-N 477.948 5.544 50 10 JKGE COc1cc(C=C(C#N)c2nc3cc(C)c(C)cc3[nH]2)c([N+](=O)[O-])cc1OCc1ccccc1 2297379311 KPAZQZRHTDKFLX-UHFFFAOYSA-N 454.486 5.740 50 10 JKGE CCCCCC1CCC(c2ccc(C(=O)Oc3ccc(C=NC(C#N)=C(N)C#N)cc3)cc2)CC1 2297672429 KUMQUJJOVAFTFJ-UHFFFAOYSA-N 468.601 6.396 50 10 JKGE Brc1cc(OCc2ccccc2)ccc1[C@@H](Br)[C@@H]1C[C@@H]2CC[C@H]1C2 2299494497 NRXNFNYNFMIBER-NNNWTRQLSA-N 450.214 6.900 50 10 JKGE Brc1cc(OCc2ccccc2)ccc1[C@H](Br)[C@H]1CCCC12CC2 2299535838 TUJBVTCCJSYWNE-QUCCMNQESA-N 450.214 7.044 50 10 JKGE Brc1cc(Br)cc(CO[C@@H]2CCCC[C@H]2I)c1 2300174271 ORYIVKUIRMEZEY-CHWSQXEVSA-N 473.974 5.474 50 10 JKGE FC1(F)CCC([C@H](Br)c2sc(Cl)cc2I)CC1 2300956532 AYJBCBDMESWGRC-VIFPVBQESA-N 455.533 6.268 50 10 JKGE Cc1ccc(NC(=O)C(C#N)=Cc2ccc(OCc3ccc(Cl)cc3)c(Br)c2)cc1 2313568759 WVHNCRGJKKLFIL-UHFFFAOYSA-N 481.777 6.536 50 10 JKGE CCOc1cc(C=C(C#N)C(=O)Nc2ccc(C)cc2C)ccc1OCc1cccc(Cl)c1 2313667108 FWEFXPBZBUQHNG-UHFFFAOYSA-N 460.961 6.480 50 10 JKGE C[C@@]1([C@H](Br)c2ccc(OCc3ccccc3)cc2Br)CCCC1(F)F 2314440014 LUVRSVWPGKYXAY-MOPGFXCFSA-N 474.183 7.290 50 10 JKGE COCC1([C@@H](Br)c2cc(Br)ccc2OCc2ccccc2)CCCC1 2314456284 VXTJWZPVADYREL-FQEVSTJZSA-N 468.229 6.671 50 10 JKGE CC1(C)CCC([C@@H](Br)c2ccc(OCc3ccccc3)cc2Br)CC1 2314496296 ABJCEYXZYYNEHB-OAQYLSRUSA-N 466.257 7.681 50 10 JKGE Brc1cc(OCc2ccccc2)ccc1[C@@H](Br)[C@@H]1Cc2ccccc21 2314501059 TYPBIBKZAOSAFF-IFMALSPDSA-N 458.193 6.804 50 10 JKGE Cc1cc(C)c(C)c([C@H](Br)c2sc(Cl)cc2I)c1 2316596894 KXXWJUGWWUWGOV-ZDUSSCGKSA-N 455.586 6.416 50 10 JKGE COc1sc([C@H](Cl)c2ccc(Cl)cc2I)cc1Br 2317776699 YZHNAQJYDWROJQ-LLVKDONJSA-N 477.976 6.105 50 10 JKGE COc1cc(C=C(C#N)c2ccccc2OC)ccc1OC(=O)c1ccc(Cl)c(Cl)c1 2320506130 CESSUABSXAMOJE-UHFFFAOYSA-N 454.309 6.294 50 10 JKGE CC[C@@H](NC(=O)C(C#N)=CNc1cc(C(F)(F)F)cc(C(F)(F)F)c1)c1ccc2c(c1)CCCC2 2325092535 JUSBVACFPIGJSE-JOCHJYFZSA-N 495.467 6.690 50 10 JKGE N#CC(=CNc1ccc(I)cc1)C(=O)Nc1ccccc1Sc1ccccc1 2325339432 FUPBSJNUXNIDCH-UHFFFAOYSA-N 497.361 5.900 50 10 JKGE Cc1cc(I)ccc1NC(=O)C(C#N)=CNc1cc(Cl)cc(Cl)c1 2325408297 XCTSSQDPZGHQHH-UHFFFAOYSA-N 472.113 5.365 50 10 JKGE CC(C)Oc1cccc(C=CC(=O)NN=C2C(=O)N(Cc3ccccc3Cl)c3ccccc32)c1 2326841491 MHSSXPBQUZBRHZ-UHFFFAOYSA-N 473.960 5.208 50 10 JKGE Cn1c(C(C#N)=Cc2ccc(N3N=C(c4ccccc4)C[C@@H]3c3ccccc3)cc2)nc2ccccc21 2331019706 NKVZRWVGENVPNM-WJOKGBTCSA-N 479.587 6.993 50 10 JKGE C[C@H](c1ccccc1)N1C[C@H](C(O)=C(C#N)c2nc(-c3ccc(Br)cc3)cs2)CC1=O 2331260406 DFCCVNWHMIOIAP-CRAIPNDOSA-N 494.414 5.975 50 10 JKGE N#CC(=C(O)c1ccc(-c2ccccc2)cc1)c1nc(-c2cccc(Br)c2)cs1 2331279338 LJAIGRVIIHOZDG-UHFFFAOYSA-N 459.368 7.189 50 10 JKGE COc1ccc(OCC(O)=C(C#N)c2nc(-c3ccc(OC)c(F)c3)cs2)c(C(C)(C)C)c1 2331336175 RUAJTRPJXLFYFV-UHFFFAOYSA-N 468.550 6.136 50 10 JKGE N#CC(=C(O)Cc1ccc(Cl)c(Cl)c1)c1nc(-c2cc(Cl)ccc2Cl)cs1 2331404028 YRNLNUPNAZRSDY-UHFFFAOYSA-N 456.181 7.459 50 10 JKGE COc1ccc(-c2csc(C(C#N)=C(O)CNS(=O)(=O)c3ccc(C)cc3)n2)c2ccccc12 2331409059 PIIYGMWXEBBSIN-UHFFFAOYSA-N 491.594 5.052 50 10 JKGE COc1ccc(Cl)cc1-c1csc(C(C#N)=C(O)CCCOc2ccc(C(C)(C)C)cc2)n1 2331411010 DOUZSXWFMJQVPY-UHFFFAOYSA-N 483.033 7.421 50 10 JKGE CCOc1cc(C(=O)Nc2sc(C(C)=CC#N)c(C)c2C(=O)OC)cc(OCC)c1OCC 2331557639 UUSKZEGNPBXDKL-UHFFFAOYSA-N 472.563 5.218 50 10 JKGE Fc1cc(Br)c(Br)cc1[C@@H](Br)[C@H]1C[C@@H]2O[C@H]1[C@H]1C[C@@H]21 2333605636 SSWZHDVUCDIUNG-PXTAJLBFSA-N 454.959 5.210 50 10 JKGE FC1(F)CCC[C@@H]2[C@H]([C@H](Br)c3cc(Br)ccc3OCc3ccccc3)[C@@H]21 2336038331 MKJRODWKJKCEGF-XWPNQZOQSA-N 486.194 7.146 50 10 JKGE COCC1([C@H](Br)c2ccc(OCc3ccccc3)cc2Br)CCCCC1 2336055296 YXFNZZSKCQTSIE-OAQYLSRUSA-N 482.256 7.061 50 10 JKGE COc1cccc(C[C@@H](Br)c2cc(Br)ccc2OCc2ccccc2)c1 2336074305 DSHHHMPYKCDZBC-OAQYLSRUSA-N 476.208 6.715 50 10 JKGE CC1(C)COC[C@H]1COc1c(Br)cc(CBr)cc1Br 2338984059 LUIWTDBRVZJEPH-JTQLQIEISA-N 457.000 5.158 50 10 JKGE COc1c(Br)cc(C)c([C@@H](Br)c2cscc2C)c1Br 2339651148 MOZVFRNQVKXFRW-LBPRGKRZSA-N 469.036 6.383 50 10 JKGE C[C@H]1CCCN(Cc2ccc(Cl)cc2I)[C@H]1CCBr 2341044263 SGLFSVUUBRVSSZ-NHYWBVRUSA-N 456.593 5.330 50 10 JKGE COc1cc(Br)c(C)cc1[C@H](Br)c1csc(C)c1Br 2343562415 NSDVUPSOSFCMMO-AWEZNQCLSA-N 469.036 6.383 50 10 JKGE C[C@H](C[C@H]1CCOC1)Oc1c(Br)cc(CBr)cc1Br 2353222482 NDQWZWLNFSNOKD-NXEZZACHSA-N 457.000 5.300 50 10 JKGE Cc1cc(Cl)cc([C@H](Br)c2c(F)cc(Cl)c(Br)c2Cl)c1 2360495296 ZNLYEWWQCVEYGV-LBPRGKRZSA-N 461.383 7.341 50 10 JKGE Brc1cc(OCc2ccccc2)ccc1[C@@H](Br)C1C2CC3CC(C2)CC1C3 2361194745 KHRNEUSGFBSEDU-WBOXHUCFSA-N 490.279 7.536 50 10 JKGE COC1CC(CC[C@H](Br)c2c(Cl)cc(Br)c(F)c2Br)C1 2362224443 QOJMIXIUYRTKMH-HACHORDNSA-N 493.436 6.645 50 10 JKGE Fc1c(Br)cc(Cl)c([C@@H](Br)[C@@H]2C[C@@H]3CC[C@H](C2)O3)c1Br 2362227286 CKXGZZRGZFKTIJ-MEUQOTJWSA-N 491.420 6.398 50 10 JKGE COc1c(Br)cc(C)c([C@@H](Br)[C@@]23C[C@@H](OC)[C@@H]2C3)c1Br 2365183902 MMYJSSDGRMFWBA-DSLLTWJKSA-N 469.011 5.390 50 10 JKGE Cc1cc(Br)c(F)c(Br)c1[C@H](Cl)c1ccc(Cl)c(Cl)c1 2365187616 BXZLQAMKEVHBMY-CYBMUJFWSA-N 461.383 7.294 50 10 JKGE Cc1cc(Br)c(F)c(Br)c1[C@H](Br)Cc1ccccc1Cl 2365215655 MIXYPTONGUHPGI-SNVBAGLBSA-N 485.416 6.991 50 10 JKGE O=C(c1ccc(Cl)cc1I)N(CCBr)Cc1ccsc1 2365582854 VXDRYCAAGWLUKA-UHFFFAOYSA-N 484.584 5.043 50 10 JKGE CN(CC[C@H](Cl)c1cccs1)C(=O)c1cc(Br)sc1Br 2365986360 SAORESGLPCMABF-VIFPVBQESA-N 457.640 5.777 50 10 JKGE Cc1ccc(CBr)c(OCc2cc(F)cc(Br)c2)c1Br 2380660270 WUZCJCUTQBZPKM-UHFFFAOYSA-N 466.970 6.133 50 10 JKGE O=C(NC1CCCC1)[C@H](c1ccc(Cl)cc1)N(Cc1ccccc1Cl)C(=O)CCl 3039481 JTHASXFWJMKQDQ-NRFANRHFSA-N 453.797 5.361 50 10 JKGE COc1ccc2nc(N(/N=C/c3ccc([N+](=O)[O-])s3)C(=O)c3ccc(Cl)s3)sc2c1 9629541 RFZFKIOSFLHXJE-AWQFTUOYSA-N 478.964 5.670 50 10 JKGE CC(C)(C)c1ccc(C(=O)NNc2ncnc3c2cnn3-c2ccc(Cl)c(Cl)c2)cc1 10387043 BGSIHBQYOPHBOH-UHFFFAOYSA-N 455.349 5.177 50 10 JKGE C[C@@H](Oc1ccc(Cl)cc1Cl)C(=O)NNC(=O)N1c2ccccc2Sc2ccccc21 13988866 MGIBGMUPKRLEKX-CYBMUJFWSA-N 474.369 5.804 50 10 JKGE COc1ccc(/C(C#N)=C\c2ccc(OC(=O)c3ccc(-n4cccc4)cc3)c(OC)c2)cc1OC 31902101 BQRTXVBZLYTXLZ-KQWNVCNZSA-N 480.520 5.786 50 10 JKGE Fc1cc(Br)ccc1COc1ccc(Br)cc1CBr 35285106 VVVINSPEAQJAQY-UHFFFAOYSA-N 452.943 5.825 50 10 JKGE Cc1ccc(-c2ccc(/C=C(\C#N)c3nc(O)c4cc(Br)ccc4n3)o2)c([N+](=O)[O-])c1 35518997 QYXABAXMOACEMT-UKTHLTGXSA-N 477.274 5.639 50 10 JKGE CCOCCOc1nc(-c2ccc(C)cc2)n(-c2ccc(NC(=O)[C@H](Cl)c3ccccc3)cc2)n1 35777790 SGRVWGHMJRBQPS-XMMPIXPASA-N 490.991 5.577 50 10 JKGE CCCOc1cccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)COc4cc(C)cc(C)c4)ccc32)c1 38684464 FYODLUWCCHYNEG-NDEPHWFRSA-N 484.552 5.295 50 10 JKGE CCCCCOc1ccc(C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@H]3c2ccc(OCC)cc2)cc1 38685832 GBIUVTMNVKCXFG-NDEPHWFRSA-N 498.579 6.092 50 10 JKGE N#C/C(=C\c1ccc(-c2ccc([N+](=O)[O-])cc2Cl)o1)C(=O)Nc1cccc(C(F)(F)F)c1 39884755 BSNMSIDWDVYTSJ-XYOKQWHBSA-N 461.783 6.073 50 10 JKGE CCOc1cc(/C=C2/C(=O)N(C3CCCCC3)C(=O)C(C#N)=C2C)ccc1OCc1ccccc1 40514625 GXWLSFNPTVJOMW-LFVJCYFKSA-N 470.569 5.589 50 10 JKGE COc1ccccc1C(=O)N/N=C1\CCCc2oc(C(=O)N3c4ccc(F)cc4CC[C@H]3C)c(C)c21 40813144 BHAUXTNXAQEICH-OIRWQNPYSA-N 489.547 5.188 50 10 JKGE Cc1c(C(=O)N(C)Cc2ccccc2)oc2c1/C(=N/NC(=O)c1ccc(-c3ccccc3)cc1)CCC2 40822772 DCQIGZKFEJKKGS-HMZBKAONSA-N 491.591 5.998 50 10 JKGE O=C(COc1ccccc1-c1ccccc1)N/N=C/c1cn(Cc2ccccc2)c2ccccc12 40912303 OKPIJOVXQCVNNE-ZCTHSVRISA-N 459.549 5.886 50 10 JKGE CCOC(=O)c1c(-n2c(C)cc(/C=C(/C#N)C(=O)NCc3cccs3)c2C)sc2c1CCCC2 83262204 WRONNJOQCFKGLZ-UYRXBGFRSA-N 493.654 5.496 50 10 JKGE C[C@H](Cl)c1nc2cc(I)ccc2n1-c1cccc(Br)c1 97353749 JSHLFESWNWWYHE-VIFPVBQESA-N 461.528 5.692 50 10 JKGE COc1ccc(-c2csc(/C(C#N)=C\Nc3ccc(Cl)cc3C(=O)c3ccccc3)n2)cc1 102420349 XYRQCAUYYJKKTN-CYVLTUHYSA-N 471.969 6.680 50 10 JKGE CCOc1ccc(Br)cc1[C@H](Cl)c1ccccc1I 104046818 GNBCDQWRSYKYTJ-OAHLLOKOSA-N 451.529 5.781 50 10 JKGE COc1cc(Br)c([C@H](Br)c2ccc(Br)cc2)cc1OC 109860188 GNXZQFKFAKKEDG-OAHLLOKOSA-N 464.979 5.713 50 10 JKGE O=c1[nH]c2cc(Br)c([C@@H](Br)c3cc(Cl)ccc3Cl)cc2[nH]1 109884288 HDHQGGJAAQXQDP-CYBMUJFWSA-N 450.945 5.410 50 10 JKGE CCC(=C(c1ccc(OC(=O)CCCl)cc1)c1ccc(OC(=O)CCCl)cc1)c1ccccc1 111445211 MMPVLYZMHSBLKY-UHFFFAOYSA-N 497.418 7.124 50 10 JKGE COc1ccc([C@@H](Br)c2csc(I)c2)cc1Br 123457425 MTDWJUIIGJLJHK-GFCCVEGCSA-N 487.982 5.608 50 10 JKGE Cc1cccc(-n2c(CCl)nc3cc(I)ccc32)c1Br 131974519 UXEDCIRUFBTTDB-UHFFFAOYSA-N 461.528 5.440 50 10 JKGE CCCCCCCCCOc1ccc(/C=N\NC(=O)c2cccn(CC)c2=O)cc1OCC 169918360 CLKVGQLRRNAGRN-OOAXWGSJSA-N 455.599 5.160 50 10 JKGE C[Si](Oc1ccccc1)(Oc1ccccc1)[Si](C)(Oc1ccccc1)Oc1ccccc1 196666663 PFAPVFASCCOTID-UHFFFAOYSA-N 458.662 6.525 50 10 JKGE CCOC(=O)/C(C#N)=C\c1ccc(OC(=O)COc2ccc(-c3ccc(C)cc3)cc2)c(OC)c1 206411052 QPEBVEXOTHWCEM-HAHDFKILSA-N 471.509 5.125 50 10 JKGE Cc1cc(I)ccc1NC(=O)/C(C#N)=C\N[C@H](C)C12CC3CC(CC(C3)C1)C2 217253790 WDVXJPZHICQHDU-XONTYSMSSA-N 489.401 5.140 50 10 JKGE Brc1cc([C@H](Br)C2Cc3ccccc3C2)c(Br)s1 232471235 LQEWSKDCGAIZJW-CYBMUJFWSA-N 451.021 6.124 50 10 JKGE CC[C@@H](C)c1ccc([C@@H](Br)c2cc(Cl)ccc2I)cc1 233865387 ZMCHPRBOZDQTSU-PIGZYNQJSA-N 463.584 6.942 50 10 JKGE COc1ccc(F)cc1[C@H](Br)c1cc(Br)ccc1I 234851602 DCMIPUPFWAPEIT-CQSZACIVSA-N 499.943 5.686 50 10 JKGE COc1ccc(Oc2ccc(CBr)cc2Br)c(Br)c1 234984270 MORFWZVCVRDHKV-UHFFFAOYSA-N 450.952 5.907 50 10 JKGE COc1ccc([C@H](Br)c2cc(Cl)cc(Br)c2)c(Br)c1 234993282 WWICSORFKWUVAE-CQSZACIVSA-N 469.398 6.358 50 10 JKGE COc1cc(/C=C(/C#N)C(=O)N[C@@H]2CCCC[C@H]2C)ccc1OCc1cccc(C(F)(F)F)c1 253415672 CVEPLCGGEHYSOL-ZRJHTQTMSA-N 472.507 5.895 50 10 JKGE O=C(NN=Cc1cccc2ccccc12)c1ccc(NS(=O)(=O)c2ccc(Cl)cc2)cc1 254300834 QTDXIOMYSSDMRA-UHFFFAOYSA-N 463.946 5.058 50 10 JKGE O=C(NN=Cc1c[nH]c2ccccc12)c1cc(-c2ccccc2OCc2cccc3ccccc23)n[nH]1 254624070 NTXBGJUAECTJFO-UHFFFAOYSA-N 485.547 6.054 50 10 JKGE CCCCCCCCCCCC(=O)NN=Cc1ccc(OC(=O)c2ccc(OC)cc2)cc1 254738884 NSMFVEIOCMWJOL-UHFFFAOYSA-N 452.595 6.285 50 10 JKGE CCCC[C@@H](CC)COc1c(Br)cc(Br)cc1CBr 311881922 WETLHNIXVQEYMP-LLVKDONJSA-N 457.044 6.702 50 10 JKGE COc1ccc(Br)c([C@@H]2CN(Cc3ccccc3)C[C@@H]2CI)c1 382700920 YTPCBRMHNKSMGM-MAUKXSAKSA-N 486.191 5.108 50 10 JKGE C[C@H](CCOCc1ccccc1)n1c(CCCl)nc2cc(I)c(F)cc21 389609398 HEUZZBDZLRMTIH-CQSZACIVSA-N 486.756 5.729 50 10 JKGE CCCOc1cccc2c1nc(CCl)n2CCCN(Cc1ccccc1)Cc1ccccc1 390473531 IEJPQKGZBQHEOJ-UHFFFAOYSA-N 462.037 6.656 50 10 JKGE Cc1cc(F)c([C@H](Br)c2cc(Br)c(Br)s2)cc1C 395770427 SSFTYLVTFQZCIG-LBPRGKRZSA-N 457.000 6.513 50 10 JKGE CC(C)(C)OC(=O)Nc1ccc([C@@H]2CCOCCN2CCO[Si](C)(C)C(C)(C)C)cc1 616656051 GOKMPIPBBHXEJQ-NRFANRHFSA-N 450.696 5.819 50 10 JKGE Cn1ncc(Br)c1[C@H](Br)c1scc(C(F)(F)F)c1Br 693070040 IUJLUNAGWUHXMW-ZETCQYMHSA-N 482.945 5.510 50 10 JKGE BrCC(CBr)(Cc1ncccc1Br)C1CCCCCC1 696864933 HJSNLZCHNZXMKC-UHFFFAOYSA-N 468.071 6.133 50 10 JKGE CC(C)(C)c1ccc([C@@H](Br)c2scc(Br)c2Br)cc1 705445802 APGPKEUSVGZLSC-GFCCVEGCSA-N 467.064 7.055 50 10 JKGE ClCc1cc(Cl)cc(Br)c1OCc1cc(Cl)ccc1Br 708051056 NXCXJZVIGJXECL-UHFFFAOYSA-N 459.392 6.836 50 10 JKGE C[C@H](Cl)c1nc2cc(I)ccc2n1CC1CN(Cc2ccccc2)C1 716226012 CHOQOAZVKVQYQY-AWEZNQCLSA-N 465.766 5.073 50 10 JKGE Cc1ccccc1-n1c(C)c(Br)c(C=NNC(=O)CSc2ccc(Cl)cc2)c1C 1083965171 SAHGVCMUJRHUGF-UHFFFAOYSA-N 490.854 6.061 50 10 JKGE C[C@H](Oc1ccc(OCc2ccccc2)cc1)C(=O)NN=Cc1ccc(-c2ccc([N+](=O)[O-])cc2)o1 1084048554 MQQAPGAFUNOJOO-IBGZPJMESA-N 485.496 5.351 50 10 JKGE CCCCCCCCCCC[C@@H]1C[C@@H](O[Si](C)(C)C(C)(C)C)[C@@H](CCCCCC)[C@H]1O 1084294682 HAYLXIBDMACQPX-CWTOASCOSA-N 454.856 9.265 50 10 JKGE Cc1cc(OC(=O)c2oc3c(c2C)C(=NNC(=O)c2ccc(Cl)cc2)CCC3)cc(C)c1Cl 1772743479 CIGYNXCJTCEGCU-UHFFFAOYSA-N 485.367 6.201 50 10 JKGE Cc1ccc2cccc(OC(=O)c3oc4c(c3C)C(=NNC(=O)Cc3ccccc3)CCC4)c2n1 1772749051 GOQJKRPBGFEYCP-UHFFFAOYSA-N 467.525 5.063 50 10 JKGE Cc1ccccc1COc1ccc2ccccc2c1C=NNC(=O)CSc1nc2ccccc2[nH]1 1772760555 UNXQNMUUVBTREM-UHFFFAOYSA-N 480.593 5.846 50 10 JKGE N#CSc1ccc(NC(=O)Oc2ccc(CNC(=O)c3ccc(C(F)(F)F)cc3)cc2)cc1 1858906612 WJFJBWPZYADRSR-UHFFFAOYSA-N 471.460 5.819 50 10 JKGE N#CC1=C(N)Oc2c(c(C(F)(F)F)nn2-c2ccccc2Cl)[C@@H]1c1c(Cl)cccc1Cl 1865686198 RWNZQCZKWPDEMN-AWEZNQCLSA-N 485.680 6.069 50 10 JKGE CCc1nn(Cc2cccc(Cl)c2)c2c1[C@@H](c1ccc(OCc3ccccc3)cc1)C(C#N)=C(N)O2 1865690503 SXBKOCVUPMCYPW-SANMLTNESA-N 496.998 5.944 50 10 JKGE COc1ccc(-c2nn(Cc3ccc(C)cc3)c3c2[C@@H](c2ccc(OC)cc2)C(C#N)=C(N)O3)cc1 1865713379 XTJAXGFXFIKEGD-VWLOTQADSA-N 478.552 5.142 50 10 JKGE COc1ccc(-n2nc(-c3ccccc3)c3c2OC(N)=C(C#N)[C@@H]3c2ccc(Br)cc2)cc1 1865715103 WBRGFWWODZDBIE-QFIPXVFZSA-N 499.368 5.529 50 10 JKGE COCCc1nc(Nc2ccc(SC#N)cc2)cc(N2C[C@@H](C)N(c3ccccc3)[C@H](C)C2)n1 1868253977 ZUSOWEITLFAGFY-WOJBJXKFSA-N 474.634 5.086 50 10 JKGE CCCOc1ccc(-c2csc(/C(C#N)=C(\O)c3ccc(OC(=O)OCC)cc3)n2)cc1 1872749237 HWSRGQPVBHELDB-XDOYNYLZSA-N 450.516 6.084 50 10 JKGE COc1cc(C)c(-c2csc(/C(C#N)=C(\O)Cc3ccc(Br)cc3)n2)cc1C(C)C 1872751348 CTVPHDIHPPDHAF-XDOYNYLZSA-N 483.431 7.048 50 10 JKGE CCc1cccc(CC)c1N1C[C@@H](/C(O)=C(\C#N)c2nc(-c3ccc(F)c(F)c3)cs2)CC1=O 1872751837 WJBBVAARPRBEQB-BVHWPRFASA-N 479.552 6.059 50 10 JKGE Cc1cc(C)c(C)c(-c2csc(/C(C#N)=C(\O)c3cccc(Oc4ccccc4)c3)n2)c1C 1872754569 YZJNIWHVLHQVSS-PNHLSOANSA-N 452.579 7.786 50 10 JKGE CCOc1ccc(-c2csc(/C(C#N)=C(\O)COc3ccc(Cl)cc3Cl)n2)c(OCC)c1 1872755356 JMQLJVNHXRTNCC-JZJYNLBNSA-N 491.396 6.786 50 10 JKGE CC(C)C[C@H](NC(=O)OC(C)(C)C)C(=O)N/N=C/c1ccccc1OCc1ccc(Cl)cc1 1873795352 ZKEIDNSFIVLAME-NQLRXCNRSA-N 474.001 5.309 50 10 JKGE C[C@H](CBr)N(Cc1ccccc1)C(=O)c1cc(Br)c(Br)s1 1914211595 FDLBGAVLQFZMNU-SNVBAGLBSA-N 496.062 5.699 50 10 JKGE Cc1c(Br)sc([C@H](Br)Cc2cccc(F)c2F)c1Br 1922885326 UTCNSLIZYLWQPN-MRVPVSSYSA-N 474.990 6.538 50 10 JKGE C[C@H](c1ccncc1Br)[C@H](Br)c1cc(F)cc(Br)c1 1924040380 PGKWCZWQXXKDRA-CLAHSXSESA-N 451.959 5.985 50 10 JKGE C[C@@H](c1ccncc1Br)[C@@H](Br)c1ccc(Cl)c(Br)c1 1924042267 ZIXHEDNLMAEVOQ-RMLUDKJBSA-N 468.414 6.500 50 10 JKGE Clc1cc([C@@H](Br)Cc2ncccc2Br)ccc1Br 1924859842 BNHYECWQJFMKOZ-NSHDSACASA-N 454.387 5.939 50 10 JKGE COc1cc([C@H](Br)c2csnc2Br)c(OC)cc1Br 1925256175 HVZVRCRYBCKCIV-NSHDSACASA-N 471.996 5.170 50 10 JKGE Cc1cc(Br)sc1[C@H](Br)c1cscc1OCc1ccccc1 1934831946 MTCQLZVSANZXRN-MRXNPFEDSA-N 458.240 6.944 50 10 JKGE Brc1ccc(CNCCCCCCI)c(Br)c1 1943843203 HSFTYHFCAQDLJY-UHFFFAOYSA-N 475.006 5.297 50 10 JKGE CCN(CC)CCN(Cc1ccccc1)c1cccc(Br)c1CBr 1946820396 LHCHHOBJGISWEC-UHFFFAOYSA-N 454.250 5.692 50 10 JKGE Cc1cc(Br)sc1[C@@H](Cl)c1cc(Br)ccc1Br 1950209203 ZIWJZPMMDPXQBL-NSHDSACASA-N 459.428 6.672 50 10 JKGE Fc1cc(Cl)c(Br)cc1[C@@H](Br)c1cscc1OCc1ccccc1 1950337735 JRMVWLUESOTIER-GOSISDBHSA-N 490.619 7.366 50 10 JKGE Cl[C@@H](CCC1CCC1)c1c(Br)sc(Br)c1Br 1976928439 IXFOWPLWIVCEST-ZETCQYMHSA-N 451.449 6.896 50 10 JKGE CCC(CBr)(CBr)Cc1cc(Br)ccc1Br 1982457936 PVCHXJTYIWWCHF-UHFFFAOYSA-N 477.860 5.940 50 10 JKGE Cl[C@@H](c1ccc(Br)cc1Br)c1sccc1I 1994122245 KGDCASTYVLSLPG-JTQLQIEISA-N 492.401 6.206 50 10 JKGE C[C@@H]1CC[C@H](C[C@@H](Cl)c2c(Br)sc(Br)c2Br)O1 1998141149 PLZKVJYGLMBGHD-FSDSQADBSA-N 467.448 6.273 50 10 JKGE Clc1ccc([C@H](Br)c2ccc(Br)cc2I)cc1 2026220960 IRQGWEDFWQYHCK-ZDUSSCGKSA-N 486.372 6.191 50 10 JKGE CN(Cc1nccn1Cc1ccccc1)c1c(CBr)ccc(Br)c1Cl 2036848018 JMDPEHPDPGUEKK-UHFFFAOYSA-N 483.635 5.879 50 10 JKGE Cc1sc(Br)c([C@@H](Br)Cc2ccc(Br)cc2)c1C 2039499037 OMOGWENLBSAZDC-LBPRGKRZSA-N 453.037 6.569 50 10 JKGE Cc1cc(C=C(C#N)c2nc(O)c3cc(Cl)ccc3n2)c(C)n1-c1ccc(Br)cc1 2059862494 ROZVDJWURVUMOO-UHFFFAOYSA-N 479.765 6.223 50 10 JKGE FC1(F)C[C@@]1(Br)COc1c(Br)cc(Cl)cc1CBr 2082492979 LILKBFWRQCJGBZ-SNVBAGLBSA-N 469.345 5.549 50 10 JKGE CCc1nn(-c2cccc(Br)c2CCl)c(CC)c1I 2093910129 WBZFRAKFXFMMSX-UHFFFAOYSA-N 453.549 5.103 50 10 JKGE Brc1ccc(Br)c(CN2C[C@H](Br)C3(CCCC3)C2)c1 2118521313 DCBLLRUOEBQWLO-AWEZNQCLSA-N 452.028 5.351 50 10 JKGE Brc1ccc(Br)c(CN2CC[C@@H]3C[C@@H](Br)CC[C@H]32)c1 2118524080 FPCJUPOJNQSIRB-RIEGTJTDSA-N 452.028 5.350 50 10 JKGE C[C@@H]1Cc2cc([C@H](Br)c3cc(Br)sn3)cc(Br)c2O1 2120032794 PHYDJTSVGPQAMG-INWYIAFRSA-N 468.008 5.476 50 10 JKGE Cc1cc(Br)c(C)c([C@H](Br)[C@@H]2CCC[C@H](F)C2)c1Br 2136373443 BXIAMWFWXSYNLR-JRPNMDOOSA-N 457.019 6.793 50 10 JKGE Cc1cc(Cl)c([C@H](Br)c2cc(I)ccc2F)cc1Cl 2136691908 IUHCPOBXYGRPFA-AWEZNQCLSA-N 473.938 6.530 50 10 JKGE Cn1ncc(Br)c1[C@H](Br)c1c(Br)cc(F)c(Cl)c1F 2136957298 BTYGUEMZQGYUFE-MRVPVSSYSA-N 479.344 5.361 50 10 JKGE Cc1c(Br)ccc([C@@H](Br)c2c(F)cccc2F)c1Br 2138853074 PETDBKOZQRMTBR-CQSZACIVSA-N 454.934 6.283 50 10 JKGE Fc1cc(Cl)c([C@H](Cl)c2ccc(Br)cc2I)cc1F 2142288334 RLXWRDAUOYVWMZ-CYBMUJFWSA-N 477.901 6.314 50 10 JKGE Clc1ccccc1C[C@@H](CBr)Cc1ccc(Br)cc1Br 2148681971 LIFOTPNQYZQRMD-NSHDSACASA-N 481.453 6.661 50 10 JKGE Cn1nc([C@@H](Br)c2cc(Cl)c(Cl)c(Cl)c2Cl)c(Cl)c1Cl 2150723676 OPGOUZGRKBDJQD-YFKPBYRVSA-N 457.797 6.825 50 10 JKGE C[C@@H](Cl)c1nc2cc(Br)c(Cl)cc2n1Cc1cnn(Cc2ccccc2)c1 2160079387 PVNABSMWVHMOET-CYBMUJFWSA-N 464.194 6.045 50 10 JKGE CC[C@@H](Br)[C@H]1CCCCN1C(=O)c1cccc(Br)c1Br 2170605242 SYQASPCBEYPPTJ-DGCLKSJQSA-N 468.027 5.380 50 10 JKGE Fc1cc(Br)cc(N2CCCN(Cc3ccccc3)CC(F)(F)C2)c1CCl 2170699053 MZWVCKCCVQYOGN-UHFFFAOYSA-N 461.753 5.675 50 10 JKGE FC(F)(F)c1cc(Br)cc([C@@H](Cl)c2sc(Cl)cc2Br)c1 2172406903 BKIYTEKTKYSDKZ-SNVBAGLBSA-N 468.947 7.274 50 10 JKGE FC(F)(F)c1cccc(-n2c(Cl)nc(Cl)c2CBr)c1Br 2177732397 VHMWBFWFQITUGV-UHFFFAOYSA-N 452.883 5.855 50 10 JKGE CC[C@H](N)Cc1cc(Br)c(OCC2CC(Br)C2)c(Br)c1 2196937986 MWHOTSWGTBZLNX-MCIGGMRASA-N 470.043 5.044 50 10 JKGE CCc1nc([C@@H](Cl)c2cc(Br)c(OC)cc2Cl)c(Br)s1 2202363136 FLOUVIQLXSIYTQ-NSHDSACASA-N 460.018 6.221 50 10 JKGE COc1c(Cl)cc(Br)cc1[C@@H](Br)c1cc(Br)ccc1C 2202999182 AFLDUIDNQPUJQR-AWEZNQCLSA-N 483.425 6.666 50 10 JKGE COc1cc(C)ccc1[C@@H](Br)c1cc(Br)sc1Br 2218598687 VHJPRPYNUJZTCO-GFCCVEGCSA-N 455.009 6.074 50 10 JKGE Cn1ncc([C@H](Br)Cc2ccc(Br)cc2Cl)c1Br 2221699640 KKCQVFWMMIBILX-SNVBAGLBSA-N 457.391 5.277 50 10 JKGE Cc1nn(C)c([C@H](Br)c2sc(Br)c(C)c2Br)c1Cl 2224020462 YIPGRWKMVPURGO-ZETCQYMHSA-N 477.447 5.761 50 10 JKGE ClCc1nc2cc(Br)c(Br)cc2n1[C@]12C[C@H]1CN(Cc1ccccc1)C2 2225695618 AUXMSRGTFYBMJD-XOBRGWDASA-N 495.646 5.531 50 10 JKGE COC1(C[C@H](Br)c2c(Br)cc(C)c(Br)c2C)CCC1 2227346934 GLFAYGJXXAYLOU-LBPRGKRZSA-N 455.028 6.224 50 10 JKGE Cc1cc(Br)c([C@H](Br)C2CC3(COC3)C2)c(C)c1Br 2227352859 RIICGSYGAZFRDC-CQSZACIVSA-N 453.012 5.691 50 10 JKGE Cc1cc(Br)c([C@H](Br)[C@H]2C[C@H]2CC(C)C)c(C)c1Br 2227356511 RJVLWYJAPBEWPG-BFQNTYOBSA-N 453.056 6.947 50 10 JKGE Cc1ccc([C@@H](Cl)Cc2ccc(Br)cc2Cl)cc1I 2229141479 ROMRGDLYKHNMHZ-ZDUSSCGKSA-N 469.975 6.538 50 10 JKGE Brc1ccc(Br)c(CN2C[C@H](Br)CC23CCCC3)c1 2232260888 KSVGCTOIKQWVOU-CYBMUJFWSA-N 452.028 5.494 50 10 JKGE Cc1cc(Br)c([C@@H](Br)c2nn(C)c(Br)c2C)c(C)c1Cl 2232526937 BBOSMDCRMWVUEA-LLVKDONJSA-N 485.445 6.008 50 10 JKGE Cc1cc(Br)c([C@H](Br)[C@@H]2CCCC(C)(C)C2)c(C)c1Br 2235602711 FBEKBCXQNACPQH-MLGOLLRUSA-N 467.083 7.481 50 10 JKGE C[C@H](Cl)c1nc2ncccc2n1-c1ccc(Br)cc1I 2240007081 PGTXPKKHUOWBFT-QMMMGPOBSA-N 462.516 5.087 50 10 JKGE Fc1cc(Cl)c([C@H](Br)c2ccc(Br)s2)cc1Br 2249384906 MDUZBBNLVVGVPD-NSHDSACASA-N 463.391 6.550 50 10 JKGE COc1ccc([C@H](Br)c2csc(Br)c2)c(Br)c1Cl 2256325271 LRYDEVBKDSIKHM-SNVBAGLBSA-N 475.427 6.419 50 10 JKGE Cc1cc([C@H](Br)c2c(F)cc(Br)c(F)c2Br)cs1 2260000878 GXNFGHPVLNCMCU-JTQLQIEISA-N 460.963 6.344 50 10 JKGE Fc1cscc1[C@@H](Br)c1c(F)cc(Br)c(F)c1Br 2260068197 OLUJPEBAEVCIRS-SECBINFHSA-N 464.926 6.175 50 10 JKGE CS(=O)(=O)c1cscc1[C@@H](Cl)c1cc(Br)c(Br)s1 2260097053 WGFSSSBVYLCESH-SECBINFHSA-N 450.626 5.066 50 10 JKGE CC[C@H](CC(F)(F)F)[C@@H](Br)c1ccc(OC)c(I)c1 2269540856 HNFKTOIHDYBRFM-PRHODGIISA-N 451.064 5.714 50 10 JKGE CC(C)C[C@@H]1C[C@H]1[C@@H](Br)c1c(F)cc(Br)c(F)c1Br 2272730029 ARYSQSSJTCBUKT-DNSOKLHBSA-N 460.982 6.608 50 10 JKGE Cc1c(Br)ccc([C@@H](Br)[C@@]23C[C@@H](CO2)C3(C)C)c1Br 2273632503 WENGKUCJMXFAMQ-JBCWJZNQSA-N 453.012 5.771 50 10 JKGE Cc1nn(C)c([C@H](Br)Cc2cc(Br)cc(Br)c2)c1Cl 2277953974 BMRSXDSTTQCPQR-LLVKDONJSA-N 471.418 5.586 50 10 JKGE COc1cc(OC)c([C@H](Cl)c2csc(I)c2)cc1Br 2278031689 LTDUOGMTJVIGDH-CYBMUJFWSA-N 473.557 5.461 50 10 JKGE Cc1sc([C@H](Cl)c2cc3sc(Br)cc3s2)c(Br)c1C 2278088721 JIFJHNZVAQXCMK-GFCCVEGCSA-N 456.677 7.494 50 10 JKGE CCn1cc([C@@H](Cl)c2c(F)cc(Br)c(F)c2Br)nc1Br 2288357232 JUYIQKRPAPDSMV-SNVBAGLBSA-N 493.371 5.797 50 10 JKGE COc1cc(C=C(C#N)C(=O)Nc2ccccc2)cc(Cl)c1OCc1ccc(C(=O)O)cc1 2294193505 VZODXUJCGPXUQX-UHFFFAOYSA-N 462.889 5.171 50 10 JKGE COc1cc(Cl)c([C@@H](Br)c2cccc(I)c2)c(OC)c1 2294908635 SWKCLJOXEZDOFN-HNNXBMFYSA-N 467.528 5.446 50 10 JKGE Cc1ccccc1NC(=O)C(C#N)=C1S[C@H](Cc2ccccc2Cl)C(=O)N1c1ccccc1C 2296506776 DVLJOTBNENLWSE-XMMPIXPASA-N 488.012 6.022 50 10 JKGE N#CC(C#N)=C(Nc1ccccc1)S[C@H]1CC(=O)N(c2ccc(C=Cc3ccccc3)cc2)C1=O 2297556938 XIMUUFFTNKIFJJ-VWLOTQADSA-N 476.561 5.593 50 10 JKGE CCCN[C@@H](c1ccc(OCc2ccccc2)cc1Br)[C@@H]1C[C@@H]1Br 2299501985 SPAPRELQJCYPSA-HOJAQTOUSA-N 453.218 5.852 50 10 JKGE Cc1c(Cl)sc(Cl)c1[C@H](Cl)c1scc(Br)c1Br 2299544535 GBCCPXAEODCEGP-ZETCQYMHSA-N 455.451 7.278 50 10 JKGE Brc1cc(C[C@H]2CCSCC[C@H]2Br)ccc1I 2306200400 XIGQUYTXOGUBTH-GHMZBOCLSA-N 490.042 5.503 50 10 JKGE BrC[C@@H](Cc1ccc(I)c(Br)c1)C1CCCC1 2306221570 JQNPONOLKWYOMM-GFCCVEGCSA-N 472.002 5.798 50 10 JKGE Cl[C@H](C[C@H]1CCC[C@@H]2C[C@@H]21)c1c(Br)sc(Br)c1Br 2309957724 MANJNMNHAPHPQW-LURQLKTLSA-N 477.487 7.142 50 10 JKGE Cc1ccc(C)c(NC(=O)C(C#N)=Cc2ccc(OCc3ccccc3Cl)c(Br)c2)c1 2313561126 VYJLOPPUIPTDHB-UHFFFAOYSA-N 495.804 6.844 50 10 JKGE COc1cccc(C=C(C#N)C(=O)Nc2cccc(Cl)c2)c1OCc1ccccc1Cl 2313631498 RBPNSIQJNMTLSA-UHFFFAOYSA-N 453.325 6.127 50 10 JKGE Cc1c(Cl)sc(Cl)c1[C@@H](Br)c1ccc(I)c(Cl)c1 2314510259 BPMBQBWAYWYRJA-JTQLQIEISA-N 496.422 7.106 50 10 JKGE Cc1cccc(Oc2nc3ccccn3c(=O)c2C=C(C#N)C(=O)Nc2cccc(C(F)(F)F)c2)c1 2314531585 CPGSCUKEQOWISI-UHFFFAOYSA-N 490.441 5.360 50 10 JKGE CC1=C(C#N)C(=O)N(Cc2ccccc2)C(=O)C1=Cc1ccc(OCc2ccccc2F)cc1 2314617880 CIGCIFASFVTWLC-UHFFFAOYSA-N 452.485 5.197 50 10 JKGE Fc1c(Br)cc(Cl)c([C@H](Br)C2CCCCC2)c1Br 2315448577 CDSZSDRQLXWGFE-LLVKDONJSA-N 463.410 7.020 50 10 JKGE Cc1cc(Br)c(F)c(Br)c1[C@@H](Br)C(F)(F)C(F)F 2317429935 YDZHCPFZSJOCRB-MRVPVSSYSA-N 460.860 5.996 50 10 JKGE CC[C@@H]1C[C@H]1C[C@@H](Br)c1c(Cl)cc(Br)c(F)c1Br 2320373294 QGZYAZPZBYHXAB-GJMOJQLCSA-N 463.410 6.876 50 10 JKGE CC[C@@H]1C[C@H](Br)C[C@H](Cc2ccc(I)c(Br)c2)C1 2325173005 MXTIOEBWGVCJEL-DRZSPHRISA-N 486.029 6.186 50 10 JKGE CCC(CC)(CBr)COCc1ccc(I)c(Br)c1 2325381248 KLXMSFAOKHFIJK-UHFFFAOYSA-N 490.017 5.772 50 10 JKGE CCCCCCCOc1ccc(-c2csc(C(C#N)=C(O)c3ccc(Cl)nc3)n2)cc1 2331345393 ICMBHDXKLWUUGC-UHFFFAOYSA-N 453.995 7.158 50 10 JKGE COc1ccc(-c2csc(C(C#N)=C(O)[C@H](C)Oc3ccc(C(C)C)cc3)n2)c(OC)c1 2331385507 KCQJNUOLTFPDTP-INIZCTEOSA-N 450.560 6.211 50 10 JKGE CCOc1cc(C=C(C#N)c2nc(-c3ccc(C(C)(C)C)cc3)cs2)cc(Br)c1O 2331453315 CWNJNELAIJVMRS-UHFFFAOYSA-N 483.431 7.039 50 10 JKGE CC(C)c1ccc(-c2csc(C(C#N)=Cc3ccccc3OCc3ccc(Cl)cc3)n2)cc1 2331457927 ZAMBLIIVLGBFIR-UHFFFAOYSA-N 471.025 8.230 50 10 JKGE COc1cc(-c2csc(C(C#N)=Cc3cc(OC)c(O)c(OC)c3)n2)c(OC)cc1Cl 2331471757 DSUFTNLMYVENMY-UHFFFAOYSA-N 458.923 5.268 50 10 JKGE Clc1ccc(CN2[C@H]3CC[C@H]2CC(CBr)C3)cc1I 2337222727 CNEJLVJHPBUZSI-STQMWFEESA-N 454.577 5.083 50 10 JKGE CCCc1sc(Br)cc1[C@@H](Br)c1nc(CC)sc1Br 2338031869 PWWJRMKTUFYQEO-LLVKDONJSA-N 488.108 6.729 50 10 JKGE Cc1nc(Oc2cc(Br)cc(I)c2)c(Cl)cc1CCl 2338711169 FQFANNVLNPEJOB-UHFFFAOYSA-N 472.935 5.942 50 10 JKGE Cc1cc(Br)c(F)c(Br)c1[C@H](Br)CC1CCOCC1 2339685998 JRUBKHLQAHJADP-SNVBAGLBSA-N 458.991 5.912 50 10 JKGE Clc1ccc(CN2[C@H](CBr)CCC23CCC3)c(I)c1 2341046927 GMCKOSIHYOMECF-ZDUSSCGKSA-N 454.577 5.227 50 10 JKGE CC1CCC(CCl)(NCc2ccc(I)c(Br)c2)CC1 2349825849 CQCKWQPRXNWNFQ-UHFFFAOYSA-N 456.593 5.331 50 10 JKGE Clc1ccc(I)cc1CO[C@@H](CBr)c1ccccc1 2352253838 PPCIZEVZDSMJIF-HNNXBMFYSA-N 451.529 5.597 50 10 JKGE Brc1ccc(OCc2ccccc2)c([C@H](Br)[C@@H]2CC[C@@H]3CCCC[C@@H]3C2)c1 2361176764 HCMNIDCYWIZBJL-UECWXEIQSA-N 492.295 8.071 50 10 JKGE Cc1ccccc1C[C@@H](Br)c1c(Cl)cc(Br)c(F)c1Br 2362229473 KJRGLTSALXYPKT-SNVBAGLBSA-N 485.416 6.991 50 10 JKGE COc1c(C)cc([C@H](Br)c2c(Br)c(Br)nn2C)cc1C 2364228793 QZDVQFSFIHWATR-JTQLQIEISA-N 466.999 5.055 50 10 JKGE Fc1cccc([C@@H](CBr)OCc2c(Br)cccc2Br)c1 2366145204 OYUIPIDVLUICFP-OAHLLOKOSA-N 466.970 6.004 50 10 JKGE Cc1c(Br)ccc([C@@H](Br)c2cccc(C(C)C)c2)c1Br 2369695081 ZOIYELRPAVVTSR-KRWDZBQOSA-N 461.035 7.128 50 10 JKGE F[C@]12CCC[C@]1(CBr)CN(Cc1cc(I)ccc1Cl)C2 2380514187 ZJOKIKXYIYHLIZ-GJZGRUSLSA-N 472.567 5.034 50 10 JKGE CCOC(=O)/C(C#N)=C1/S[C@H](Cc2ccc(Cl)cc2)C(=O)N1c1ccc(Br)cc1 2888390 AEBHOASBASKCHA-GMQRBVGNSA-N 491.794 5.092 50 10 JKGE CCOc1cc(/C=C(\C#N)c2nc3cc(C)ccc3[nH]2)cc(Cl)c1OCc1cccc([N+](=O)[O-])c1 9263689 JXPRTVRFYMLEQL-VXLYETTFSA-N 488.931 6.475 50 10 JKGE COc1cc(/C=C(\C#N)c2cccc([N+](=O)[O-])c2)cc(Br)c1OCc1ccccc1 9324441 FNGVASGRMHKYSH-VXLYETTFSA-N 465.303 6.009 50 10 JKGE C=CCc1ccc(OCCOc2ccc(/C=C(/C#N)C(=O)Nc3cccc(C)c3)cc2OC)c(OC)c1 33404392 VFZBUAWJDNCHQC-ULJHMMPZSA-N 498.579 5.744 50 10 JKGE CCOc1cc(/C=C(\C#N)C(=O)Nc2cc(C)ccc2C)cc(I)c1OCC 33891203 UHCKIBVSFBYPTM-LICLKQGHSA-N 490.341 5.251 50 10 JKGE CCOC(=O)c1ccc(-c2ccc(/C=C(/C#N)c3nc(-c4ccccc4)c(NC(C)=O)s3)o2)cc1 34982919 JCKNTLUTSVMLMU-QNGOZBTKSA-N 483.549 6.269 50 10 JKGE Cc1cc(C)c(-c2nn(-c3ccccc3)cc2/C=C(\C#N)c2nc(O)c3ccccc3n2)c(C)c1 34983881 XRTLOCZUBPMQMA-RCCKNPSSSA-N 457.537 6.178 50 10 JKGE N#C/C(=C\c1ccc(-c2cc(C(F)(F)F)ccc2Cl)o1)c1nc(O)c2cc(Cl)ccc2n1 35519111 DSVNPGFNXZOYCT-YRNVUSSQSA-N 476.241 6.985 50 10 JKGE Cc1cc(OCC(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@@H]3c2cccc(Cl)c2)cc(C)c1Cl 38651223 LVNSSKMVKVPZMC-XMMPIXPASA-N 495.362 5.813 50 10 JKGE N#CC1=C(N)Oc2cc(OC(=O)c3ccccc3Cl)ccc2[C@@H]1c1ccc(Br)cc1 38651580 HBMXXDOVHSHTRN-NRFANRHFSA-N 481.733 5.540 50 10 JKGE CC(C)Oc1ccc(C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@@H]3c2c(Cl)cccc2Cl)cc1 40529655 DLEURBXPNZLCDC-HSZRJFAPSA-N 495.362 6.218 50 10 JKGE Nc1c(NNC(=O)c2ccc(Br)cc2)ncnc1Nc1ccc(Oc2ccccc2)cc1 40784563 KQKJQHZHKIYUQV-UHFFFAOYSA-N 491.349 5.114 50 10 JKGE Cc1ccc2[nH]c(/C(C#N)=C\c3cc(Cl)ccc3OCc3c(F)cccc3Cl)nc2c1 50567888 NMKMUYNSVABGRG-YBEGLDIGSA-N 452.316 6.960 50 10 JKGE Cc1cc2nc3c(nc2cc1C)[C@@]1(C(=O)NNC(=O)c2cccc4ccccc24)CC[C@@]3(C)C1(C)C 100945805 QOJBAMPNGCTMKE-LOYHVIPDSA-N 478.596 5.190 50 10 JKGE N#C/C(=C/c1ccc(-c2ccc(Cl)c(Cl)c2)o1)c1nn(-c2ccccc2)c(C#N)c1C#N 103196995 XXHUNXRFIXFHQT-YBEGLDIGSA-N 456.292 6.247 50 10 JKGE COc1cc(C)c(Br)cc1[C@@H](Br)c1ccc(Br)s1 115070291 KRYUZIMPXXARRS-CYBMUJFWSA-N 455.009 6.074 50 10 JKGE Fc1ccc(Br)c(CC(CCl)(CCl)c2ccccc2Br)c1 118875094 IQZSPGLBVXTWFL-UHFFFAOYSA-N 454.992 6.309 50 10 JKGE FC(F)(F)Oc1ccc([C@@H](Cl)c2cc(Br)c(Br)s2)cc1 131410993 NIEOPWLWJSSDTC-SNVBAGLBSA-N 450.501 6.500 50 10 JKGE COc1cc([C@H](Br)c2cc(Cl)cc(Cl)c2)c(OC)cc1Br 134301032 ASTHEBZKCVZIEN-OAHLLOKOSA-N 454.973 6.257 50 10 JKGE Fc1ccc2cc([C@H](Br)c3cc(Br)sc3Br)sc2c1 168849372 CGKWIQMEIRYOPV-GFCCVEGCSA-N 485.035 7.111 50 10 JKGE Fc1cc(Br)cc([C@H](Br)c2cc(Br)cc3c2OCC3)c1 228444020 RUXAPXSRNUZDPH-AWEZNQCLSA-N 464.954 5.770 50 10 JKGE BrC[C@@H](Cc1cc(Br)cc2c1OCC2)c1cccc(Br)c1 228556270 PQFDCYCNYQNBPE-CQSZACIVSA-N 475.018 5.868 50 10 JKGE Clc1cc(Br)cc([C@H](Cl)c2csc3c(Br)cccc23)c1 236031549 DAEQRBAECVJHPP-AWEZNQCLSA-N 451.010 7.408 50 10 JKGE Fc1ccc([C@@H](Cl)c2cc(Cl)ccc2I)cc1Br 236211634 FQVXLWXPVHJHOJ-CYBMUJFWSA-N 459.911 6.174 50 10 JKGE COc1ccccc1-c1cc(C(=O)NN=C/C=C\c2ccccc2[N+](=O)[O-])c2ccccc2n1 252628444 SQIVBEQXVLRKHY-LMMKUJTHSA-N 452.470 5.248 50 10 JKGE Cc1ccc(C)n1-c1cccc(C(=O)NN=Cc2cc(Br)c(O)c(Br)c2)c1 254391065 FYKYZAJVTVIYRI-UHFFFAOYSA-N 491.183 5.089 50 10 JKGE CCOc1cc(C=NNC(=O)COc2ccc(-c3ccccc3)cc2)ccc1OC(=O)c1ccccc1 254489359 UGTGXELZUOAYOI-UHFFFAOYSA-N 494.547 5.501 50 10 JKGE Cc1ccc(C(C)C)c(OCc2ccc(C(=O)NN=C3CCSc4ccc(F)cc43)cc2)c1 254570529 HGMXEDUVFYPSHT-UHFFFAOYSA-N 462.590 6.466 50 10 JKGE CCCCCCCCOc1ccc(-c2cc(C(=O)NN=C(C)c3ccc(OC)c(OC)c3)[nH]n2)cc1 254670043 OBSCMFPZXLMDAZ-UHFFFAOYSA-N 492.620 5.987 50 10 JKGE COc1cc(C=NNC(=O)COc2ccc(C)cc2C)ccc1OCc1ccc(Cl)cc1 256017243 WRLMRKZHXHNZCW-UHFFFAOYSA-N 452.938 5.074 50 10 JKGE O=C1Cc2cc([C@@H](Br)c3ccc(Br)s3)c(Br)cc2N1 302412793 QBYMSUMPJRLNIS-CYBMUJFWSA-N 465.992 5.252 50 10 JKGE CN(C(=O)OC(C)(C)C)c1ccccc1[C@H]1CCCN(CCO[Si](C)(C)C(C)(C)C)CC1 616600124 CCIZLPHKNVFGRO-NRFANRHFSA-N 462.751 6.649 50 10 JKGE BrCC(CBr)(Cc1cc(Br)cs1)C1CCCCC1 696831166 WRUSKWUXJMLIQP-UHFFFAOYSA-N 459.085 6.410 50 10 JKGE O=C1COc2ccc([C@@H](Br)c3scc(Br)c3Br)cc2N1 705464257 MYIGMJQIXLDFDN-LLVKDONJSA-N 481.991 5.088 50 10 JKGE FC(F)(F)OCCCC(CBr)(CBr)c1ccccc1Br 713443498 KJBIDYVVGPCRSJ-UHFFFAOYSA-N 482.960 5.793 50 10 JKGE Fc1ccc(F)c([C@H](Br)c2ccc(I)c(Br)c2)c1 721591657 DNIRQIPENNIFRP-CYBMUJFWSA-N 487.907 5.816 50 10 JKGE COc1cc(C=NNC(=O)c2ccccc2C)cc(Br)c1OCc1ccccc1 1084012718 NJCANRPXWVHGFW-UHFFFAOYSA-N 453.336 5.109 50 10 JKGE O=C(NN=Cc1cn(-c2ccccc2)nc1-c1ccc(Cl)cc1)c1ccc(Br)cc1 1084278433 SXEWTJBLEHSAJI-UHFFFAOYSA-N 479.765 5.719 50 10 JKGE CCc1ccc(OC(=O)c2oc3c(c2C)C(=NNC(=O)c2cccc4ccccc24)CCC3)cc1 1772747478 IKGLOMPTDCNKSY-UHFFFAOYSA-N 466.537 5.993 50 10 JKGE CC(C)c1ccc(C=NNC(=O)CCCOc2ccc(C(C)(C)C)cc2Br)cc1 1772755595 NJLAEKFIGOCACA-UHFFFAOYSA-N 459.428 6.179 50 10 JKGE COc1ccc(-n2nc(C(F)(F)F)c3c2OC(N)=C(C#N)[C@H]3c2cccc3ccccc23)cc1 1865682465 PAYMSICIYKWGRD-HXUWFJFHSA-N 462.431 5.271 50 10 JKGE CCc1nn(-c2cccc(Cl)c2)c2c1[C@@H](c1ccc(OCc3ccccc3)cc1)C(C#N)=C(N)O2 1865689913 GHZIMEFLINPKCC-VWLOTQADSA-N 482.971 5.885 50 10 JKGE CCOc1cc([C@H]2C(C#N)=C(N)Oc3c2c(-c2ccccc2)nn3C)ccc1OCc1ccccc1 1865693395 JJVKEJWHTZFKMP-VWLOTQADSA-N 478.552 5.283 50 10 JKGE CCCOc1ccc([C@H]2C(C#N)=C(N)Oc3c2c(-c2ccccc2)nn3Cc2ccc(Cl)cc2)cc1 1865693495 JZVGJZFOVYUQSL-VWLOTQADSA-N 496.998 6.259 50 10 JKGE Cc1ccccc1COc1ccc([C@@H]2C(C#N)=C(N)Oc3c2c(C)nn3Cc2ccccc2)cc1 1865703462 VZIKKHVQSJHPNY-HHHXNRCGSA-N 462.553 5.345 50 10 JKGE Cc1ccc(-c2nc(Nc3ccc(C(=O)Oc4ccc([N+](=O)[O-])cc4F)cc3)sc2C)cc1C 1865789213 ZGOJCLMHRQRLBP-UHFFFAOYSA-N 477.517 6.745 50 10 JKGE COC(=O)c1c(NC(=O)/C(C#N)=C/c2cccc(Cl)c2)sc(C)c1-c1ccc(C)c(C)c1 1866129709 HKLMOGOSXNQXKO-YBFXNURJSA-N 464.974 6.326 50 10 JKGE COc1ccc(C(C)(C)C)cc1-c1csc(/C(C#N)=C(\O)[C@@H](C)Oc2ccc(Cl)cc2)n1 1872751319 BMYQFNUFECAXHM-LYLVPTPKSA-N 469.006 7.030 50 10 JKGE COc1ccc(C(C)(C)C)cc1-c1csc(/C(C#N)=C(\O)c2cccc(Br)c2)n1 1872751873 XTJJAPOGRVFLTP-UZYVYHOESA-N 469.404 6.829 50 10 JKGE COc1ccc(OCCC/C(O)=C(\C#N)c2nc(-c3cc(Cl)cc(C)c3OC)cs2)cc1 1872756921 HPIKZAQAFFJUGC-XDOYNYLZSA-N 470.978 6.441 50 10 JKGE Cl[C@@H](c1cc(Br)ccc1OCc1ccccc1)c1ccsc1Br 1899866852 XXBXJUGIZJGDJI-QGZVFWFLSA-N 472.629 7.180 50 10 JKGE C[C@@H](CCBr)N(Cc1ccccc1)c1ncc(Br)cc1C(F)(F)F 1915086985 PLKJXQYNSKGJTH-LBPRGKRZSA-N 466.139 6.043 50 10 JKGE C[C@H](CCBr)N(Cc1ccccc1)Cc1ccc(Br)cc1Br 1915091048 SEFYLXLYXDADDF-CQSZACIVSA-N 490.077 6.387 50 10 JKGE COc1ccc(Cl)cc1[C@@H](Br)c1sc(Br)c(C)c1Br 1922881506 INBKXWVNWOXTLA-LLVKDONJSA-N 489.454 6.728 50 10 JKGE Cc1c(Br)sc([C@H](Br)C23CCC(CC2)C3(C)C)c1Br 1922931868 GTJZCTICLOFAPY-RHJSQNMRSA-N 471.096 7.234 50 10 JKGE Fc1ccc2cc([C@@H](Br)c3sc(Br)cc3Br)sc2c1 1922953806 HRLWTLAPMJBDOH-GFCCVEGCSA-N 485.035 7.111 50 10 JKGE Fc1ccc(Cl)c([C@@H](Cl)c2c(Br)sc(Br)c2Cl)c1 1923050757 ZFWBCQDGDOQNGN-MRVPVSSYSA-N 453.385 7.047 50 10 JKGE Clc1c(Br)sc(Br)c1[C@@H](Cl)c1cc2c(s1)CCSC2 1923067032 XQXCOIZYZDNVSP-VIFPVBQESA-N 479.111 7.106 50 10 JKGE CCOc1ccc([C@H](Br)c2c(Br)sc(Br)c2Cl)cc1 1923068804 WPTSTPHQRWJAGG-JTQLQIEISA-N 489.454 6.810 50 10 JKGE CC[C@@H](C)[C@H](Br)c1c(Br)sc(Br)c1Br 1924575655 DCVWNWIMSSXMDZ-XINAWCOVSA-N 469.862 6.518 50 10 JKGE Cc1cc(C)c([C@@H](Br)c2sncc2Br)c(C)c1Br 2028524158 JSQNWVKWJRAPTC-GFCCVEGCSA-N 454.025 6.078 50 10 JKGE CCc1nc([C@H](Br)c2sc(C)c(Br)c2C)c(Br)s1 2050330941 IVPLJNKNWVUUIU-VIFPVBQESA-N 474.081 6.393 50 10 JKGE FC(F)c1cccc([C@H](Br)c2cc(Br)sc2Br)c1 2052472333 QZIYAAGOOQOBLH-JTQLQIEISA-N 460.963 6.695 50 10 JKGE Cc1c(Br)sc([C@@H](Br)[C@H]2C[C@@H]3CCC[C@@H]3C2)c1Br 2063508215 HWIPLZSCIVXXGE-WYFGTUCQSA-N 457.069 6.844 50 10 JKGE C[C@H](Br)[C@@H](NCc1cc(Br)ccc1Br)C(F)(F)F 2074731152 JUYZZGXPVNVAOT-QUBYGPBYSA-N 453.922 5.016 50 10 JKGE CCOC(=O)C12CCC(CI)(CC1)O[C@@H]2c1ccc(C(F)(F)F)cc1 2080420414 PYHVNAXPRHXETF-ODIFPOPNSA-N 468.253 5.074 50 10 JKGE Cc1cc(C)cc([C@H](N[S@@](=O)C(C)(C)C)c2ccccc2P(c2ccccc2)c2ccccc2)c1 2080761379 HAEIDYNXHXDQJH-QGRQJHSQSA-N 499.660 6.203 50 10 JKGE C[C@@H]1Cc2cc([C@H](Br)c3ncsc3Br)cc(Br)c2O1 2090458295 OBBHKZUCADVYJG-LDWIPMOCSA-N 468.008 5.476 50 10 JKGE CS(=O)(=O)c1csc([C@H](Br)c2ccc(Br)cc2Br)c1 2093073482 BYYJYVLGBZPBKV-GFCCVEGCSA-N 489.048 5.161 50 10 JKGE C[C@@H](Br)C[C@@H]1CCCCN1C(=O)c1csc(Br)c1Br 2093945071 VLVQCXRAHCGBSX-BDAKNGLRSA-N 474.056 5.441 50 10 JKGE CC(C)[C@@H]1CC[C@H](Br)[C@H](Cc2c(Br)cccc2Br)C1 2094092631 IBMHXQKWMKEGMU-DYEKYZERSA-N 453.056 6.590 50 10 JKGE CCOc1cc(Br)c([C@H](Br)C2(Br)CC2)cc1OCC 2111889203 BZMFPKYBJASDJF-ZDUSSCGKSA-N 457.000 5.610 50 10 JKGE Clc1ccc(I)c(CC[C@@H](Cl)c2cccc(Br)c2)c1 2113448298 ZFOMVLKQLTXDEC-CQSZACIVSA-N 469.975 6.620 50 10 JKGE Fc1cc(Br)cc(Oc2ccc(Br)c(Cl)c2)c1CBr 2114265370 BTNAOMWGEJPSLO-UHFFFAOYSA-N 473.361 6.691 50 10 JKGE ClCC1(CNc2ncc(I)cc2Br)CC2(CCC2)C1 2133378278 DQAFZEDGBPBSSD-UHFFFAOYSA-N 455.565 5.050 50 10 JKGE COc1c(Cl)cc(Br)cc1[C@@H](Br)c1ccccc1OCc1ccccc1 2138248561 NLCBBQBSULRYMJ-FQEVSTJZSA-N 496.626 7.174 50 10 JKGE Brc1scc([C@@H](Br)c2ccc(-c3cccs3)s2)c1Br 2140972530 CDKCYFCJMMBVDM-LLVKDONJSA-N 499.112 7.547 50 10 JKGE Cc1cc([C@H](Cl)c2ccc(Br)cc2I)cc(C)c1F 2142286755 HUADNEDXXOBHDT-AWEZNQCLSA-N 453.520 6.138 50 10 JKGE CCCOc1ccc([C@H](Br)c2cc(Br)n(C)n2)cc1Br 2150479117 SLBORKCUBPZYHF-AWEZNQCLSA-N 466.999 5.218 50 10 JKGE CC1(C)CCC[C@]1(CBr)NC(=O)c1cc(Cl)ccc1I 2150545362 MNTGCESRNRIGLA-OAHLLOKOSA-N 470.576 5.018 50 10 JKGE Cc1csc(Cn2c(CCl)nc3cc(I)ccc32)c1Br 2157004308 SJZSWLBKJYQLMQ-UHFFFAOYSA-N 481.584 5.560 50 10 JKGE ClCCc1nc2cc(Br)c(Cl)cc2n1C1[C@H]2CN(Cc3ccccc3)C[C@H]12 2159885635 LPPYXNUFZGBEKO-GJZGRUSLSA-N 465.222 5.536 50 10 JKGE CN(C(=O)c1cc(Br)ccc1Br)[C@H]1CCCCC[C@@H]1Br 2172546810 IZZKPUPKNZRZOS-KBPBESRZSA-N 468.027 5.380 50 10 JKGE CCc1cc(CC)c([C@H](Br)c2cc(I)sn2)c(CC)c1 2176540593 WATXCADIBUANMU-MRXNPFEDSA-N 464.210 5.919 50 10 JKGE COc1cc(C)c([C@@H](Br)Cc2ccccc2Br)cc1Br 2198737131 MAVNXBRAODWAAI-AWEZNQCLSA-N 463.007 6.207 50 10 JKGE Cc1cc(Br)c(C)c([C@@H](Br)[C@@H]2CCCCS2(=O)=O)c1Br 2201071521 RAODKFPYYPTSNM-FZMZJTMJSA-N 489.067 5.232 50 10 JKGE Cc1c(Br)ccc([C@@H](Cl)c2c(F)cc(Br)cc2F)c1Br 2203682718 IVYGAOUORPDGAW-CQSZACIVSA-N 489.379 6.889 50 10 JKGE Brc1ccc([C@H](Br)c2ccc3c(c2Br)CCO3)s1 2222188828 KAYQCXYPAFPZFN-CYBMUJFWSA-N 452.993 5.692 50 10 JKGE CC[C@@H](CC(C)C)[C@H](Br)c1c(Br)cc(Cl)c(Cl)c1Cl 2224313995 WMELMAFZTQGIIR-UFBFGSQYSA-N 451.457 7.918 50 10 JKGE CC[C@@](C)(CCCC(C)C)O[C@]1(CI)CCCN(C(=O)OC(C)(C)C)C1 2226057646 QBAYAZWVWWSFGO-SFTDATJTSA-N 481.459 6.203 50 10 JKGE CS(=O)(=O)C1([C@@H](Br)c2c(Br)cc(Cl)c(Cl)c2Cl)CCC1 2232514041 SSWFNJMGYZCKLN-NSHDSACASA-N 485.452 5.813 50 10 JKGE COc1ccc([C@@H](Br)c2ccc(C)c(I)c2)c(Cl)c1Cl 2232835648 WSBDWOXWGHYBLS-ZDUSSCGKSA-N 485.974 6.399 50 10 JKGE C[C@@H]1C[C@@H](n2c(CCl)nc3c(F)cc(Br)cc32)CCN1Cc1ccccc1 2232925637 ALUYGLFKDXOGQZ-PBHICJAKSA-N 450.783 5.902 50 10 JKGE Cc1cc(Br)c([C@H](Br)[C@@H]2CCCC23CCC3)c(C)c1Br 2235602197 CQFATMOMXZNKBJ-BLLLJJGKSA-N 465.067 7.235 50 10 JKGE Cc1cc(Br)c([C@H](Br)C2(C(C)(F)F)CCC2)c(C)c1Br 2235610262 PYTMXZQAHALKRI-ZDUSSCGKSA-N 475.009 7.090 50 10 JKGE Cc1ccc(Br)c([C@H](Br)c2c(F)cc(F)c(Br)c2F)c1 2236109994 LGBIPWPJHDQENU-LBPRGKRZSA-N 472.924 6.422 50 10 JKGE Cc1cc(Br)c([C@@H](Br)c2cc3c(cc2Br)NC(=O)C3)s1 2237634303 WJRCZDGOOSJUGQ-ZDUSSCGKSA-N 480.019 5.560 50 10 JKGE O=S(=O)(Nc1ccc(Cl)cc1CBr)c1cc(Cl)c(Br)s1 2239638903 SQHMCCWLYCTOLK-UHFFFAOYSA-N 480.030 5.513 50 10 JKGE Fc1cc(Cl)c(Br)cc1[C@@H](Br)Cc1cc(Cl)cc(Cl)c1 2240915472 IHJVSBBGUDKDFC-NSHDSACASA-N 461.383 7.227 50 10 JKGE Cc1sc(Br)c(C)c1[C@H](Br)c1scc(Br)c1Cl 2246477539 UOCGUYORYRKNCY-QMMMGPOBSA-N 479.484 7.089 50 10 JKGE Cc1sc([C@@H](Br)c2nn(C)c(Br)c2C)c(Br)c1C 2253470661 FQHHEOOOXCVPQH-VIFPVBQESA-N 457.029 5.416 50 10 JKGE Fc1cccc(I)c1[C@@H](Br)Cc1ccc(Br)cc1 2255894740 DXQROASMOYOMDS-NSHDSACASA-N 483.944 5.872 50 10 JKGE CS(=O)(=O)[C@H]1C[C@H]([C@@H](Cl)c2c(Br)sc(Br)c2Cl)C1 2257627078 GSIBKDDANPQYGB-WYDQCIBASA-N 457.036 5.030 50 10 JKGE Fc1cc(Cl)c([C@H](Br)c2cc(Cl)c(Br)s2)cc1Br 2258105573 IUSUFDGELKALMC-JTQLQIEISA-N 497.836 7.203 50 10 JKGE Clc1csc([C@@H](Br)Cc2cc(Br)cc(Br)c2)c1Cl 2263508565 FFNYIWRFCYLXAJ-VIFPVBQESA-N 493.873 7.259 50 10 JKGE Brc1ccc(Br)c([C@H](Br)C[C@@H]2CCCCC23CC3)c1 2264950103 XPXZDQOFXLHTEG-XHDPSFHLSA-N 451.040 7.008 50 10 JKGE COc1ccc([C@H](Br)c2cccc(Cl)c2Br)cc1Br 2267979613 KODHGAIZZPHEOV-ZDUSSCGKSA-N 469.398 6.358 50 10 JKGE COc1cc(C)c(Br)c(C)c1[C@H](Br)c1csnc1Br 2269594893 HNKCCSGTNLGCNV-GFCCVEGCSA-N 470.024 5.778 50 10 JKGE Clc1sc(Br)c(Cl)c1[C@H](Br)c1ccc2scnc2c1 2278611878 UGEZNERTAYVNOT-SECBINFHSA-N 458.027 6.911 50 10 JKGE Cc1ccc(Br)cc1[C@H](Br)c1c(Br)cc(C)c(F)c1C 2279157557 QNUAEMLUDGEUBZ-HNNXBMFYSA-N 464.998 6.760 50 10 JKGE COc1ccc([C@@H](Br)c2ccc(Cl)c(I)c2)cc1OC 2283586567 JFMSNKHOJIZZQS-HNNXBMFYSA-N 467.528 5.446 50 10 JKGE COc1cc([C@@H](Cl)c2ccc(OC)c(I)c2)ccc1Br 2285007769 IMWIVRAYXRHWAF-HNNXBMFYSA-N 467.528 5.399 50 10 JKGE BrCC(CBr)(CCc1ccccc1)Cc1ccc(Br)s1 2286712604 CWXFUTZWRDPAHT-UHFFFAOYSA-N 481.091 6.462 50 10 JKGE N#CC(C(=O)Nc1cc(Cl)ccc1Cl)=C1S[C@@H](Cc2ccccc2)C(=O)N1c1ccccc1 2296500544 XBMQIUXEBAQTLC-QFIPXVFZSA-N 494.403 6.058 50 10 JKGE Cc1cc(-c2nn(-c3ccccc3)cc2C=C(C#N)c2nc3ccccc3s2)ccc1OC(C)C 2296539355 QJGYDPDNXNXTQT-UHFFFAOYSA-N 476.605 7.309 50 10 JKGE Cc1cccc(C[C@@H]2SC(=C(C#N)C(=O)Nc3ccc(F)cc3)N(c3ccc(Cl)cc3)C2=O)c1 2296643180 BPSCNQMYGTTWJJ-QHCPKHFHSA-N 491.975 5.853 50 10 JKGE Cc1ccc(Cc2cnc(NC(=O)C(C#N)=Cc3ccc(-c4ccccc4Cl)o3)s2)cc1Cl 2296819096 UESBTTDUGPFQEW-UHFFFAOYSA-N 494.403 7.155 50 10 JKGE Cc1nn(-c2ccccc2)c(Oc2ccc(F)cc2)c1C=C(C#N)C(=O)Nc1ccccc1Cl 2297388092 KNZJUXMJSCOCED-UHFFFAOYSA-N 472.907 6.311 50 10 JKGE Cc1ccc(OCCn2cc(C=C(C#N)C(=O)Nc3nc4ccccc4s3)c3ccccc32)cc1 2297500371 OISRHKJGGVSXIW-UHFFFAOYSA-N 478.577 6.184 50 10 JKGE Brc1cc(OCc2ccccc2)ccc1[C@@H](Br)C[C@@]12CCC[C@@H]1C2 2299491914 AZANYTUPIRQDBB-CZAAIQMYSA-N 450.214 7.044 50 10 JKGE Cc1cc(Br)c([C@@H](Br)[C@@H]2C[C@@H]2C(F)(F)F)cc1Br 2308742193 DVRQAVNLMLZGTA-ZYAQMDEOSA-N 450.918 6.154 50 10 JKGE N#CC(=Cc1ccc(-c2ccc(Cl)c(Cl)c2)o1)C(=O)Nc1cccc(Cl)c1Cl 2313570863 HYGFFHJNIDCRCI-UHFFFAOYSA-N 452.124 7.106 50 10 JKGE COC[C@@H]1CC[C@H]([C@@H](Br)c2ccc(OCc3ccccc3)cc2Br)C1 2314444529 LQDYTTKJKORYAM-LLGFUMIMSA-N 468.229 6.527 50 10 JKGE Brc1ccc(OCc2ccccc2)c([C@H](Br)[C@H]2COC3(CCC3)C2)c1 2314447012 YIXNRDMPKMDUNS-OXQOHEQNSA-N 466.213 6.423 50 10 JKGE Cc1ccc([C@@H](Br)c2cc(Br)ccc2OCc2ccccc2)cc1Cl 2314447881 CKALVAVYHMBSEE-OAQYLSRUSA-N 480.627 7.474 50 10 JKGE Brc1ccc(OCc2ccccc2)c([C@H](Br)C[C@H]2CCCOCC2)c1 2314454532 HBKCCHMASVJWPI-OXJNMPFZSA-N 468.229 6.671 50 10 JKGE Cc1ccccc1C[C@H]1SC(=C(C#N)C(=O)Nc2ccccc2C)N(c2ccc(C(C)C)cc2)C1=O 2314592156 MQPQMEJGYLDHIK-HHHXNRCGSA-N 495.648 6.492 50 10 JKGE COc1ccc(N2C(=O)[C@@H](Cc3ccc(C)cc3)SC2=C(C#N)C(=O)N[C@@H](C)c2ccccc2)cc1 2314592931 DRHOROZTFBNNQK-RXFWQSSRSA-N 497.620 5.307 50 10 JKGE C=CCN1C(=O)C(=Cc2ccc(OCc3ccc(Cl)cc3Cl)c(OCC)c2)C(C)=C(C#N)C1=O 2314617342 WLNGCTFIOQTAQX-UHFFFAOYSA-N 497.378 5.749 50 10 JKGE CCCCCCOc1ccc(C=C2C(=O)N(Cc3ccc(C)cc3)C(=O)C(C#N)=C2C)cc1OC 2314617481 ZAUWYYWUSRJYJN-UHFFFAOYSA-N 472.585 5.755 50 10 JKGE CC1=C(C#N)C(=O)N([C@H](C)c2ccccc2)C(=O)C1=Cc1ccc(-c2ccc(Cl)c(Cl)c2)o1 2314618316 LGEGJSGWVHFNPO-MRXNPFEDSA-N 477.347 6.607 50 10 JKGE CCCCOc1ccc(C=C2C(=O)N([C@H](C)c3ccccc3)C(=O)C(C#N)=C2C)cc1OCC 2314619057 ZEDMNWOJPFVWJW-HXUWFJFHSA-N 458.558 5.618 50 10 JKGE CCCCOc1ccc(C=C(C#N)C(=O)Oc2ccc(C(=O)Nc3ccc(Cl)cc3)cc2)cc1 2314737829 XKSDRWJBCIDWLE-UHFFFAOYSA-N 474.944 6.284 50 10 JKGE Fc1ccc(C[C@H](Br)c2sc(Cl)cc2I)c(F)c1 2316598186 AIOZCORAJOOPKC-QMMMGPOBSA-N 463.512 5.963 50 10 JKGE Cc1cc(C)c(NC(=O)C(C#N)=CNc2ccc(-c3nc4ccc(C)cc4s3)cc2)c(C)c1 2325182674 NFHUWKPSMZWAEY-UHFFFAOYSA-N 452.583 6.655 50 10 JKGE COC[C@@H]1C[C@H](Br)[C@H](Cc2ccc(I)c(Br)c2)C1 2325221592 HKOHYRGXKDCDSB-TUAOUCFPSA-N 488.001 5.032 50 10 JKGE COc1cc(C=C2Oc3cc(OCc4cccc(CCl)c4)cc(C)c3C2=O)cc(OC)c1OC 2325361159 VEGBRJWKQQSLHX-UHFFFAOYSA-N 480.944 5.955 50 10 JKGE COC(=O)c1c(NC(=O)C(C#N)=Cc2ccc(Cl)cc2)sc2c1CC[C@@H](C(C)(C)C)C2 2329654354 SWNICOWEHYOCIQ-MRXNPFEDSA-N 456.995 5.885 50 10 JKGE CCc1cccc(C)c1N1C[C@H](C(O)=C(C#N)c2nc(-c3cccc([N+](=O)[O-])c3)cs2)CC1=O 2331232544 GRFGTLFAVJLCBT-GOSISDBHSA-N 474.542 5.435 50 10 JKGE COc1ccc(-c2csc(C(C#N)=C(O)Cc3ccc(Br)cc3)n2)c(OC)c1 2331385316 SZYMGEUCYRXUHL-UHFFFAOYSA-N 457.349 5.625 50 10 JKGE Cc1ccc(C(C)(C)C)cc1-c1csc(C(C#N)=C(O)CCCOc2ccc(Cl)cc2)n1 2331397123 KHBMRKYTDAOQOF-UHFFFAOYSA-N 467.034 7.721 50 10 JKGE COc1cc(C)c(-c2csc(C(C#N)=C(O)c3cc(OC)c(OC)cc3[N+](=O)[O-])n2)cc1C 2331403910 SFTZYIFSZFJRGC-UHFFFAOYSA-N 467.503 5.311 50 10 JKGE COc1cc(Br)cc(C=C(C#N)c2nc(-c3cccc(Br)c3)cs2)c1O 2331432139 UDEBIDBIVJHRDZ-UHFFFAOYSA-N 492.192 6.113 50 10 JKGE CCOc1cc(C=C(C#N)c2nc(-c3ccc(F)c(C)c3)cs2)ccc1OCC(=O)N(CC)CC 2331449029 DCFJHGWFMDZEJB-UHFFFAOYSA-N 493.604 5.968 50 10 JKGE Cl[C@@H](c1c(Br)sc(Br)c1Br)[C@@H]1OC[C@@H]2CCCC[C@@H]21 2333520536 NFFCADULSDYORV-AGNRWKBWSA-N 493.486 6.521 50 10 JKGE COCC1([C@@H](Br)c2ccc(OCc3ccccc3)cc2Br)CCCCC1 2336055295 YXFNZZSKCQTSIE-NRFANRHFSA-N 482.256 7.061 50 10 JKGE COc1ccc(Cl)cc1[C@@H](Br)c1cc(Br)ccc1OCc1ccccc1 2336074722 JENBBDQQGWIISD-NRFANRHFSA-N 496.626 7.174 50 10 JKGE Fc1ccc(C[C@@H](Br)c2ccc(OCc3ccccc3)cc2Br)c(F)c1 2336084686 WAPVIMWHFUTZGO-LJQANCHMSA-N 482.162 6.985 50 10 JKGE Clc1ccc(CC[C@H](Cl)c2cccc(Br)c2)cc1I 2337219272 RAYZXQGEAOMDSV-ZDUSSCGKSA-N 469.975 6.620 50 10 JKGE COc1ccc(Br)c(CCl)c1OCc1sccc1I 2338756568 APPOOWBIHOLZDY-UHFFFAOYSA-N 473.557 5.442 50 10 JKGE COc1c(Br)cc(C)c([C@@H](Br)[C@H]2C[C@](C)(F)C2)c1Br 2339660116 ZQEGGXCLUMKXMI-PSEJXSGSSA-N 458.991 6.103 50 10 JKGE Clc1ccc(CN2[C@H]3CC[C@H]2CC(CBr)C3)c(I)c1 2341046962 GSBHFUCDRSBMCM-KBPBESRZSA-N 454.577 5.083 50 10 JKGE C[C@@H](OCc1cc(I)ccc1Br)c1nc(CCl)cs1 2341552173 LKJISZVBKDXDPG-MRVPVSSYSA-N 472.573 5.527 50 10 JKGE CC1=C(C)C[C@@](CBr)(Cc2ccc(Cl)c(I)c2)CC1 2343447767 CMKPIKUBKCGVTJ-MRXNPFEDSA-N 453.589 6.389 50 10 JKGE CCc1cc(Br)c(OC)c([C@@H](Br)c2coc(Br)c2)c1 2353039718 KMVXUCQJKBVDTP-ZDUSSCGKSA-N 452.968 5.860 50 10 JKGE FC(F)(F)Oc1ccc([C@@H](Cl)c2sc(Cl)cc2I)cc1 2364123867 GTMZPEIVIKSNJS-SNVBAGLBSA-N 453.050 6.233 50 10 JKGE Cc1cc(Br)c(F)c(Br)c1[C@H](Br)[C@@H]1C[C@@H]2C[C@H]2C[C@@H]1C 2365188238 JJHUZPSXZHIFPF-AEEKYDJHSA-N 469.030 6.777 50 10 JKGE CSc1ccc([C@H](Br)c2c(C)cc(Br)c(F)c2Br)cc1 2365216065 QLYZBKOAKVJVPJ-ZDUSSCGKSA-N 483.038 6.865 50 10 JKGE Cc1cc(Br)c(F)c(Br)c1[C@H](Br)C[C@@H]1CC[C@H]1C1CC1 2368175742 AMFLUTAYVOJZLH-SDDRHHMPSA-N 469.030 6.921 50 10 JKGE N#C/C(=C\c1ccc(-c2cc(Cl)ccc2Cl)o1)C(=O)Nc1cccc(Cl)c1Cl 28287357 VWOKKNTUSCRYLX-DHZHZOJOSA-N 452.124 7.106 50 10 JKGE CCCCOc1ccc(/C=C(/C#N)C(=O)Oc2ccc(/C=C(/C#N)C(=O)OCC)cc2OCC)cc1 33378294 IRSVZCQKUXFWTA-CPTCYYDTSA-N 488.540 5.247 50 10 JKGE Cc1ccc2nc(Cl)c(/C=C(/C#N)c3nc(-c4ccc(Br)cc4)cs3)cc2c1 33391291 BXKDEZXWVDOJGH-YVLHZVERSA-N 466.791 7.147 50 10 JKGE CCCOc1ccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4cccc(Cl)c4)ccc32)cc1 38650708 QEPQTIGRFBDGEK-DEOSSOPVSA-N 460.917 5.566 50 10 JKGE C=CCOc1ccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4ccc(Cl)cc4)ccc32)cc1 38658019 KAWOWSTZZGJOLS-XMMPIXPASA-N 458.901 5.342 50 10 JKGE CCCCOc1ccccc1[C@@H]1C(C#N)=C(N)Oc2cc(OC(=O)c3ccccc3OCCC)ccc21 38683123 XIOYHWUHSVJCBO-NDEPHWFRSA-N 498.579 6.092 50 10 JKGE O=C(CCCc1c(-c2ccccn2)[nH]c2ccc(F)cc12)NNC(=O)c1ccc(Cl)cc1Cl 39852954 ABYPOCDPOYYWHO-UHFFFAOYSA-N 485.346 5.460 50 10 JKGE Cc1ccc(OCCCC(=O)N/N=C/c2ccccc2OCc2ccccc2)c(Br)c1 40951274 UZZKEPAECWDIJL-WPWMEQJKSA-N 481.390 5.646 50 10 JKGE CCOc1c(Cl)cc(/C=N/NC(=O)c2cc3cc(Br)ccc3o2)cc1Cl 59304713 OOOSFFXSRMVYEG-LSFURLLWSA-N 456.123 5.665 50 10 JKGE COc1c(Br)cc(Cl)cc1[C@H](Br)c1cccc(Br)c1 104041482 XYRPVJTXVUTSOU-CYBMUJFWSA-N 469.398 6.358 50 10 JKGE BrCC(CBr)(Cc1ccccc1)Cc1sccc1Br 118669573 OHVPGPNWWQRBTM-UHFFFAOYSA-N 467.064 6.072 50 10 JKGE Brc1ccsc1[C@@H](Br)c1cccc(I)c1 128550806 WGFQKWQMZRKGSB-JTQLQIEISA-N 457.956 5.600 50 10 JKGE CC[C@H](C)c1ccc([C@H](Br)c2cc(Br)c(Br)s2)cc1 128861205 YPEDOUOWXGOCNM-XPTSAGLGSA-N 467.064 7.271 50 10 JKGE Fc1ccc2cc([C@@H](Br)c3cc(Br)c(Br)s3)sc2c1 168851844 QMHTZZAASZICGJ-GFCCVEGCSA-N 485.035 7.111 50 10 JKGE Cc1ccc(Br)c([C@@H](Br)c2cc(F)c(Br)cc2F)c1 169092208 NHDAXYMADVHBTD-CQSZACIVSA-N 454.934 6.283 50 10 JKGE C[C@@H]1CCCC[C@H]1NC(=O)[C@H](c1ccccc1Cl)N(CCc1ccc(Cl)cc1)C(=O)CCl 230275229 XOERSLACUGJVJE-BSDZUQITSA-N 495.878 6.040 50 10 JKGE O=C1NCCc2ccc([C@H](Br)c3cc(Br)sc3Br)cc21 232484311 HIHOTZDSMLCLEH-LBPRGKRZSA-N 480.019 5.043 50 10 JKGE CC1CCC(CBr)(NC(=O)c2cc(Cl)ccc2I)CC1 232803828 AAFJGVMSZNPDFT-UHFFFAOYSA-N 470.576 5.018 50 10 JKGE COc1ccc(Br)cc1[C@@H](Br)c1cccc(C)c1I 234842670 XKPUSBCRVVPPQB-AWEZNQCLSA-N 495.980 5.855 50 10 JKGE Cc1ccc(-n2c(C)cc(C=NNC(=O)C(O)(c3ccccc3)c3ccccc3)c2C)cc1C 254458638 UNKZJEDETHJSMV-UHFFFAOYSA-N 451.570 5.097 50 10 JKGE Cc1ccc(S(=O)(=O)Nc2ccc(C(=O)NN=Cc3cccc(OCc4ccccc4)c3)cc2)cc1 254659331 SQOZPMFQSDGNIY-UHFFFAOYSA-N 499.592 5.139 50 10 JKGE CC(C)(C)OC(=O)N1CCC[C@@](CBr)(OCc2ccc(Br)cc2)C1 303741855 QRNHWNSBKURWCN-SFHVURJKSA-N 463.210 5.130 50 10 JKGE Cc1cc(Br)c([C@H](Br)c2cc(Cl)c(C)cc2Br)s1 310794262 RLYPQPOXRINZJP-GFCCVEGCSA-N 473.455 7.028 50 10 JKGE Clc1ccccc1C[C@@H](Br)c1scc(Br)c1Br 707793520 YMCIKUDRXNINCO-MRVPVSSYSA-N 459.428 6.605 50 10 JKGE O=C(N[C@H]1c2ccccc2C[C@H]1Br)c1scc(Br)c1Br 707803980 BRGGHMOZJOTULT-SKDRFNHKSA-N 480.019 5.064 50 10 JKGE CC(C)C(C)(C)CC(CBr)(CBr)c1ccccc1Br 713198925 HADDVFGYXFHLET-UHFFFAOYSA-N 455.072 6.549 50 10 JKGE CCn1cc([C@@H](Br)c2ccc(C)c(Br)c2C)nc1Br 719596336 LRWGAYBRJMTVHY-ZDUSSCGKSA-N 451.000 5.529 50 10 JKGE Fc1cccc([C@@H](Br)Cc2nc3ccccc3s2)c1I 721711091 OKVKRDASLFNIEF-JTQLQIEISA-N 462.125 5.719 50 10 JKGE Cc1cccc(-n2c(C)c(Br)c(C=NNC(=O)CSCc3ccccc3C)c2C)c1 1084073683 BCKUPNJKVPZXNF-UHFFFAOYSA-N 484.463 5.857 50 10 JKGE Cc1ccc(C)c(NC(=O)/C(C#N)=C\c2c(OCc3ccccc3F)ccc3ccccc23)c1 1084447062 OWEFPEUFROPRRA-KQWNVCNZSA-N 450.513 6.720 50 10 JKGE N#C/C(=C\c1ccc(OCc2ccc(C(=O)O)cc2)cc1)C(=O)Nc1cccc(Cl)c1Cl 1084502571 DSROLCDTZIIFRZ-LDADJPATSA-N 467.308 5.816 50 10 JKGE Cc1ccc(C23C[C@H]4C[C@@H](CC(C(=O)NN=Cc5cc(Br)ccc5O)(C4)C2)C3)cc1 1565521762 KGFDANCJDZNCEE-LYBIEXDWSA-N 467.407 5.451 50 10 JKGE C=C1CC[C@H](O[Si](C)(C)C(C)(C)C)C/C1=C/C=C1\CCC[C@]2(C)[C@@H]1CC[C@@H]2[C@H](C)CCCC(C)C 1777003579 DWIUSINKAVTSCC-MPHLLENGSA-N 498.912 10.649 50 10 JKGE CCOc1cc([C@H]2C(C#N)=C(N)Oc3c2c(-c2ccccc2)nn3Cc2ccc(F)cc2)ccc1O 1865681328 KGFUMYLTPBTRAY-DEOSSOPVSA-N 482.515 5.060 50 10 JKGE COc1cc([C@H]2C(C#N)=C(N)Oc3c2c(C)nn3Cc2ccccc2F)ccc1OCc1ccccc1 1865687525 TUNUNLSDMSOXIB-MHZLTWQESA-N 496.542 5.185 50 10 JKGE N#CC1=C(N)Oc2c(c(-c3ccccc3)nn2Cc2ccccc2F)[C@@H]1c1ccc(F)cc1F 1865701812 GBYFRGJOHXIZGB-JOCHJYFZSA-N 458.443 5.234 50 10 JKGE COc1ccc(-c2nn(-c3ccc(OC)cc3)c3c2[C@H](c2cccc(C)c2)C(C#N)=C(N)O3)cc1 1865710597 CGLKCJOOHVTSFE-XMMPIXPASA-N 464.525 5.083 50 10 JKGE COc1ccc(/C=C(\C(=O)NNC(=O)c2ccc(-c3ccc(F)cc3)nc2C)c2ccccc2)cc1 1865758301 TWDHYIANFKODMI-ITYLOYPMSA-N 481.527 5.207 50 10 JKGE Cc1ccccc1-c1nc(Nc2ccc(SC#N)cc2)cc(N2CC(C)(C)c3ccccc32)n1 1868301517 RBDQKUCFIXNHNR-UHFFFAOYSA-N 463.610 7.198 50 10 JKGE N#C/C(=C\c1ccc(-n2nc(-c3ccccc3)cc2-c2ccccc2)cc1)n1cnc2ccccc21 1872727316 OYUUZZOCJDAJBZ-ZXVVBBHZSA-N 463.544 7.078 50 10 JKGE Cc1ccc(C)c(-c2csc(/C(C#N)=C(\O)CCCN3C(=O)c4cccc([N+](=O)[O-])c4C3=O)n2)c1 1872749871 LDNZNCUWKIKRQM-UZYVYHOESA-N 488.525 5.204 50 10 JKGE CCCCCCCOc1ccc(-c2csc(/C(C#N)=C(\O)c3ccc4nc(C)c(C)nc4c3)n2)cc1 1872753444 XHNXGZUXSBARGL-COOPMVRXSA-N 498.652 7.669 50 10 JKGE CC[C@@H](C)[C@@H](/C(O)=C(\C#N)c1nc(-c2ccc(C)c(C)c2)cs1)N1C(=O)c2ccccc2C1=O 1872756450 KGVFROGIXIOLBB-LALWJFTASA-N 471.582 5.931 50 10 JKGE CCc1ccc(OCCC/C(O)=C(\C#N)c2nc(-c3ccc(OC)c4ccccc34)cs2)cc1 1872758894 VTTJQJNDMJFXRN-LCUIJRPUSA-N 470.594 7.186 50 10 JKGE COc1cc(/C=C(\C#N)c2nc(-c3ccc(-c4ccccc4)cc3)cs2)ccc1OC(C)C 1872782716 QOSXCFZJZSTRMD-BUVRLJJBSA-N 452.579 7.337 50 10 JKGE COc1cc(Br)cc(/C=C(\C#N)c2nc(-c3cc(Cl)cc(C)c3OC)cs2)c1O 1872794032 GNPKNFWEIUNKKD-WLRTZDKTSA-N 491.794 6.321 50 10 JKGE CCOc1ccc(-c2csc(/C(C#N)=C/c3ccc(OCc4ccccc4C)cc3)n2)c(OCC)c1 1872794068 IUAHVQZPCDVUEH-LFVJCYFKSA-N 496.632 7.559 50 10 JKGE Cc1cc(C)c(-c2csc(/C(C#N)=C/c3c(OCc4ccccc4)ccc4ccccc34)n2)c(C)c1 1872794394 YZQGSSDQGIHNGS-YZSQISJMSA-N 486.640 8.532 50 10 JKGE COc1cc(/C=N/NC(=O)c2ccc3[nH]c4c(c3c2)CCCC4)ccc1OCc1ccc(Cl)cc1 1873498570 VPEORAZWWRGWHT-OKCVXOCRSA-N 487.987 6.052 50 10 JKGE CC[C@H](C)[C@@H](/C(O)=C(\C#N)c1nc(-c2cccc([N+](=O)[O-])c2)cs1)N1C(=O)c2ccccc2C1=O 1873940732 FAGARHMUTLNAEL-VVYGKFLPSA-N 488.525 5.222 50 10 JKGE Fc1c(Br)cc(Cl)c([C@H](Br)[C@H]2C[C@H]2Cl)c1Br 1900374176 ZHNJZITYFSTUFQ-OTEWCHCRSA-N 455.774 6.067 50 10 JKGE CC(C)(CI)COCc1cc(Br)cc(Br)c1 1904662961 GLPPEUNOUDOPMO-UHFFFAOYSA-N 461.963 5.189 50 10 JKGE CC(C)[C@H](CBr)N(Cc1ccccc1)S(=O)(=O)c1ccc2c(c1)CCCC2 1915324310 MDMXBPVXMLMNDE-QFIPXVFZSA-N 450.442 5.176 50 10 JKGE Cc1cc(Br)c([C@H](Cl)c2cc(C)c(Br)o2)cc1Br 1917591809 MFYYOSBGRAVJLZ-LBPRGKRZSA-N 457.387 6.512 50 10 JKGE Cc1c(Br)sc([C@H](Br)C2CCC(C(C)(C)C)CC2)c1Br 1922881954 FZJBJOPLAHGIEO-GCZXYKMCSA-N 487.139 7.870 50 10 JKGE Clc1c(Br)sc(Br)c1[C@@H](Cl)c1cccc(Br)c1 1923054110 AOBCZSKIGXWCIT-QMMMGPOBSA-N 479.846 7.017 50 10 JKGE CC(C)(C)c1cccc([C@H](Cl)c2c(Br)sc(Br)c2Cl)c1 1923055150 PPNHGWCIAOWYEB-NSHDSACASA-N 457.058 7.552 50 10 JKGE C[C@@H](c1ccncc1Br)[C@@H](Br)c1ccc(F)cc1I 1924038817 HQJBLYGKLWKNQU-RMLUDKJBSA-N 498.959 5.828 50 10 JKGE Clc1ccc([C@@H](Cl)c2c(Br)sc(Br)c2Br)cc1 1924583257 HXYRHHSGCZWXTH-SECBINFHSA-N 479.846 7.017 50 10 JKGE CC1CCC([C@@H](Cl)c2c(Br)sc(Br)c2Br)CC1 1924583276 IDSQAKGVKOORCK-HNQUHTCLSA-N 465.476 7.142 50 10 JKGE Cc1ccc([C@@H](Cl)c2c(Br)sc(Br)c2Br)c(F)c1 1924585583 NJWIZVGVNGFOIQ-SNVBAGLBSA-N 477.418 6.811 50 10 JKGE Cc1c(F)cccc1[C@H](Cl)c1c(Br)sc(Br)c1Br 1924605297 OYEFVVRBUIBASU-JTQLQIEISA-N 477.418 6.811 50 10 JKGE Cc1c(Br)sc([C@H](Br)[C@H]2C[C@@]2(C)C(F)F)c1Br 2008187330 SKFJWLJQFGGBQN-DEHACQHWSA-N 452.984 6.309 50 10 JKGE CC1(C)OCCO[C@H]1[C@H](Cl)c1c(Br)sc(Br)c1Br 2066675570 UWBGMFFNAVFLKA-SFYZADRCSA-N 483.447 5.510 50 10 JKGE Fc1cc(Br)c([C@@H](Br)c2cc(Br)sn2)c(F)c1Cl 2081848886 RJAWVACEYFTKSW-QMMMGPOBSA-N 482.369 6.084 50 10 JKGE Cc1sc(Br)c([C@@H](Br)c2nn(C)c(Cl)c2Br)c1C 2082884504 LTLMNVUSHSODNQ-SSDOTTSWSA-N 477.447 5.761 50 10 JKGE Cc1c(Br)ccc([C@@H](Br)c2cnc(Cl)n2C)c1Br 2083319157 WCXYHPFVIMIWLU-LLVKDONJSA-N 457.391 5.391 50 10 JKGE Brc1cc([C@H](Br)c2ncn3ccsc23)ccc1I 2083989369 DRNRIKRUAONDLM-JTQLQIEISA-N 497.981 5.247 50 10 JKGE FC1(F)C[C@]12CCC[C@@H]([C@@H](Br)c1sc(Br)cc1Br)C2 2099907012 DUYARXPQBDQDGR-NYRNMGCKSA-N 479.022 6.925 50 10 JKGE CC(C)CN1C[C@@H](Br)[C@H](Cc2c(Br)cccc2Br)C1 2100722122 KIOYEIHFQYDSDE-IAQYHMDHSA-N 454.044 5.105 50 10 JKGE Clc1cc(Br)cnc1COc1ccc(Br)cc1CBr 2127190725 SRGQIORSBRVSBX-UHFFFAOYSA-N 470.386 5.734 50 10 JKGE CC[C@@H]1CC[C@@H]([C@@H](Br)c2c(C)c(Br)cc(C)c2Br)O1 2136712681 MYWJTJQTRAZZMR-IFUGULHKSA-N 455.028 6.222 50 10 JKGE C[C@H]1CCCN(Cc2ccc(I)c(Cl)c2)[C@H]1CCBr 2142950574 SFOYKEPLCBBNHF-NHYWBVRUSA-N 456.593 5.330 50 10 JKGE CO[C@H](COc1c(Br)cc(Br)cc1CBr)C1CCCC1 2150271631 FYVPGMULSWOKGM-CQSZACIVSA-N 471.027 5.691 50 10 JKGE Cc1sc(Br)cc1[C@@H](Br)c1cc2c(cc1Br)NC(=O)C2 2152047300 GGHCCLNVJSJXMU-CQSZACIVSA-N 480.019 5.560 50 10 JKGE FC(F)(F)c1ccc(Br)c(Oc2nc(Cl)c(CBr)s2)c1 2155315343 ZFOWGVWVDOTXAV-UHFFFAOYSA-N 451.489 6.265 50 10 JKGE Cc1cc([C@H](Br)c2cc3c(cc2Br)NC(=O)C3)c(Br)s1 2157249000 OESBBRVIOSVNBT-CYBMUJFWSA-N 480.019 5.560 50 10 JKGE CC(C)c1nsc(COc2c(Br)cc(CBr)cc2Br)n1 2158915713 JLCIRWWHGALHQG-UHFFFAOYSA-N 485.039 5.660 50 10 JKGE ClCc1nc2cc(Cl)c(Br)cc2n1Cc1cnc(Br)s1 2169015711 QIQBOVAGVAYPMH-UHFFFAOYSA-N 455.990 5.458 50 10 JKGE Fc1c(Br)ccc(CC[C@H](Br)c2ccccc2Br)c1F 2169756715 AJIVVZHSCOZTIW-LBPRGKRZSA-N 468.961 6.559 50 10 JKGE COc1c(C)cc(Br)c(C)c1[C@H](Cl)c1cc(Br)c(Cl)s1 2172568714 FNFUYUZYZKMGMJ-GFCCVEGCSA-N 459.030 6.880 50 10 JKGE Cc1cc(Br)c(C)c([C@H](Br)[C@H]2C[C@@]2(C)C(F)(F)F)c1Br 2201078559 PCNMWLBWCRGOQK-BZHVJNSISA-N 478.972 6.853 50 10 JKGE Fc1cc(Br)c([C@@H](Cl)c2cccc(F)c2I)c(F)c1Cl 2201613330 ASIOITCOZWKYQP-JTQLQIEISA-N 495.891 6.453 50 10 JKGE COc1cc(F)c(F)cc1[C@@H](Br)c1cccc(Br)c1Br 2204481811 RPAPOVJPGVTSBF-ZDUSSCGKSA-N 470.933 5.983 50 10 JKGE Cc1cc(Br)c([C@@H](Br)[C@H]2C[C@@H](Br)C2)c(C)c1Br 2214651820 DCTWIGXGKMYOJO-RWEMILLDSA-N 489.871 6.438 50 10 JKGE Cc1ccc([C@H](Br)c2sc(Br)c(C)c2C)c(Br)c1 2218792246 WQKXVOPEMFFYCZ-LBPRGKRZSA-N 453.037 6.683 50 10 JKGE Cc1cc(Br)cc(CBr)c1OCc1nscc1Br 2219912928 JUUSDFXNXCMTRI-UHFFFAOYSA-N 455.997 5.450 50 10 JKGE Fc1cc(Br)c(Br)cc1[C@@H](Br)C1(CC(F)F)CCC1 2225616009 BZTQGIGVHZGSPD-GFCCVEGCSA-N 464.945 6.612 50 10 JKGE CC(C)(C)C1CC([C@@H](Br)c2cc(Br)c(Br)cc2F)C1 2225616195 DEHGGGJKCLFAOQ-OAQUUNCKSA-N 457.019 6.859 50 10 JKGE Cc1cc([C@@H](Cl)c2sc(Br)c(C)c2Br)cc(C)c1Br 2227420190 CTODVTFHDMMPBP-GFCCVEGCSA-N 487.482 7.289 50 10 JKGE Cc1cc(Br)c([C@H](Br)C2C[C@@H](C)O[C@H](C)C2)c(C)c1Br 2235616114 YMXXRUOPRKVJGW-XIZWVBILSA-N 469.055 6.468 50 10 JKGE BrCC1(N(Cc2ccccc2)c2nc3ccc(Br)cc3s2)CCC1 2253369230 DLGNTGKGTOHRMR-UHFFFAOYSA-N 466.242 6.383 50 10 JKGE ClCc1cc(Oc2cc(I)ccc2Cl)ncc1Br 2259957103 FORFTGBZSUYBHD-UHFFFAOYSA-N 458.908 5.633 50 10 JKGE COc1ccc([C@H](Br)c2c(Br)cnn2C)c(Br)c1Cl 2268266451 SCHBVXTYWVZZJK-JTQLQIEISA-N 473.390 5.091 50 10 JKGE C[C@@H](Br)CN(CC(C)(C)C)C(=O)c1cc(Br)sc1Br 2272439267 ZQUOJLWYXLGZFM-MRVPVSSYSA-N 476.072 5.545 50 10 JKGE Fc1cc(Br)c(F)c(Br)c1[C@H](Br)[C@@H]1CCC[C@H](F)C1 2272746873 CQOCSNBDSVAJME-PTZCXBDSSA-N 464.945 6.454 50 10 JKGE CCCC[C@@H](C)CC[C@H](Br)Cc1cc(Br)cc(Br)c1 2277956717 QLHZAGXMWYUCRC-OCCSQVGLSA-N 455.072 7.124 50 10 JKGE COc1cc(F)c(CBr)c(Oc2ccc(Br)cc2Br)c1 2283521989 SPFDKPOIKVGLEE-UHFFFAOYSA-N 468.942 6.047 50 10 JKGE Fc1cc(Br)c(F)c(Br)c1[C@H](Br)C1CCC2(CC1)CC2 2288347714 XDBKOKIZJNKNFW-GFCCVEGCSA-N 472.993 6.896 50 10 JKGE Cc1nn(C)c([C@@H](Br)c2c(F)cc(Br)c(F)c2Br)c1Cl 2288488714 LMTQGOLYYYJLCW-VIFPVBQESA-N 493.371 5.669 50 10 JKGE Brc1cc2sc([C@H](Br)c3cc4c(s3)CCOC4)cc2s1 2295518380 VVLYBOWHXBCFFG-CQSZACIVSA-N 450.242 6.344 50 10 JKGE Cc1ccc(-c2csc(C(C#N)=CNc3ccc(S(=O)(=O)Nc4nccs4)cc3)n2)c(C)c1 2296038193 KPGDDXKZEKZMAV-UHFFFAOYSA-N 493.639 5.661 50 10 JKGE COc1ccc(-c2csc(C(C#N)=CC=C(Cl)c3ccc(Br)cc3)n2)cc1OC 2297624294 FEMRMXODSJYHCL-UHFFFAOYSA-N 487.806 6.777 50 10 JKGE COc1cc([N+](=O)[O-])ccc1NC=C(C#N)c1nc(-c2cc3c(ccc4ccccc43)oc2=O)cs1 2297624346 WCHJWXLUUMWQLG-UHFFFAOYSA-N 496.504 5.963 50 10 JKGE CC(C)(F)[C@](C)(F)[C@@H](Br)c1cc(Br)ccc1OCc1ccccc1 2299489077 MCUDFFVEQQJGLM-PKOBYXMFSA-N 462.172 6.940 50 10 JKGE Cc1cc(C)c([C@@H](Br)c2ccc(OCc3ccccc3)cc2Br)s1 2299491936 GYSDMCIFNUVEHW-IBGZPJMESA-N 466.238 7.191 50 10 JKGE COc1cc(C=C(C#N)C(=O)Nc2ccc(C)cc2)ccc1Oc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] 2313511316 ZYHSIIDPGUUDPH-UHFFFAOYSA-N 474.429 5.158 50 10 JKGE Cc1ccc(NC(=O)C(C#N)=Cc2cc(Cl)c(OCc3cccc(F)c3)c(Br)c2)cc1 2313567203 CZKOQSCXAMWUDK-UHFFFAOYSA-N 499.767 6.675 50 10 JKGE COc1cc(C=C(C#N)C(=O)Nc2ccccc2Cl)ccc1OCc1ccccc1Cl 2313631794 VVTQBIPDCCKNGL-UHFFFAOYSA-N 453.325 6.127 50 10 JKGE CCc1ccc(NC(=O)C(C#N)=Cc2cc(Br)ccc2OCc2cccc(Cl)c2)cc1 2313681148 NEQVJCMNDIJHAX-UHFFFAOYSA-N 495.804 6.790 50 10 JKGE Brc1cc(OCc2ccccc2)ccc1[C@H](Br)[C@@H]1C[C@H]2CCCC[C@@H]21 2314502881 MXFLWELOCWOMFD-BUBGKSFDSA-N 464.241 7.290 50 10 JKGE Cc1ccc(C)c(NC(=O)C(C#N)=Cc2c(Oc3cccc(C)c3C)nc3ccccn3c2=O)c1 2314534052 WZSQPERPOBXSQT-UHFFFAOYSA-N 464.525 5.266 50 10 JKGE CCCCCCOc1ccc(C=C(C#N)C(=O)Nc2cccc(C(=O)OCC)c2)cc1OC 2314728425 BJPBYLCQDREBKB-UHFFFAOYSA-N 450.535 5.377 50 10 JKGE CCCCNC(=O)C(C#N)=Cc1ccc(OC(=O)[C@@H](C)Oc2ccc(C(C)(C)C)cc2)c(OC)c1 2314789534 BTSDCXHZJFFCLX-LJQANCHMSA-N 478.589 5.189 50 10 JKGE CN[C@H](c1c(Cl)cc(Br)c(F)c1Br)C1CC(Br)C1 2315458278 LAOLSABRQCNCSA-WOKRAHDESA-N 464.398 5.438 50 10 JKGE Cc1cc(Br)c(F)c(Br)c1[C@@H](Cl)c1coc(Br)c1 2317423213 NIVNMRSSDRCADK-NSHDSACASA-N 461.350 6.343 50 10 JKGE Cc1c(Cl)cc(C(=O)N[C@H](CCBr)COCc2ccccc2)cc1Br 2320358844 UHQKONFDPKKLAC-MRXNPFEDSA-N 489.635 5.511 50 10 JKGE Cc1ccc(-c2csc3ncnc(SCC(=O)C(C#N)=C4Nc5ccccc5S4)c23)cc1 2320729541 DLUFPIWFPUOXLS-UHFFFAOYSA-N 472.620 6.281 50 10 JKGE CCOC(=O)c1ccc(NC(=O)C(C#N)=CNc2ccc(-c3nc4ccc(C)cc4s3)cc2)cc1 2324345639 SYKPXWWQMXNFHX-UHFFFAOYSA-N 482.565 5.907 50 10 JKGE CC(C)N(Cc1ccccc1)C(=O)C(C#N)=CN1CCN(C(c2ccccc2)c2ccccc2)CC1 2324521720 OGWNUPIXSZIDGM-UHFFFAOYSA-N 478.640 5.238 50 10 JKGE COc1cc(C(O)=C(C#N)c2nc(-c3ccc(-c4ccccc4)cc3)cs2)c([N+](=O)[O-])cc1OC 2331232599 NRNXZWHEZPDBPZ-UHFFFAOYSA-N 485.521 6.352 50 10 JKGE N#CC(=C(O)[C@@H]1CC(=O)N(Cc2ccccc2)C1)c1nc(-c2ccc(Cl)cc2Cl)cs1 2331250996 FZJDISHPCNMJNN-OAHLLOKOSA-N 470.381 5.958 50 10 JKGE CCOc1ccc(C=C(C(O)=C(C#N)c2nc(-c3cc(C)ccc3OC)cs2)c2ccccc2)cc1 2331322982 PWQNXDLIYMYQQJ-UHFFFAOYSA-N 494.616 7.559 50 10 JKGE CC(C)(C)c1ccc(-c2csc(C(C#N)=C(O)CCN3C(=O)c4ccccc4C3=O)n2)cc1 2331331609 VKQGUNPYPQAJTG-UHFFFAOYSA-N 457.555 5.587 50 10 JKGE CC(C)c1ccccc1O[C@H](C)C(O)=C(C#N)c1nc(-c2ccc(Oc3ccccc3)cc2)cs1 2331358914 DCUBNZSQYYCJQF-HXUWFJFHSA-N 482.605 7.986 50 10 JKGE Cc1ccccc1P(N[C@@H]1CCCC[C@@H]1NC(=O)NCc1ccccc1)c1ccccc1C 2333233171 WOQUTUYXZNXIBU-LOSJGSFVSA-N 459.574 5.051 50 10 JKGE Cc1cc(Cl)c(Cl)cc1[C@H](Cl)c1ccc(OCc2ccccc2)cc1Br 2336083456 KHHRIWFEFQKSMK-OAQYLSRUSA-N 470.621 7.972 50 10 JKGE CCc1cc(CCl)cc(Oc2cc(Br)cc(I)c2)n1 2338713637 XMDZAJDCMDFTBA-UHFFFAOYSA-N 452.517 5.542 50 10 JKGE Clc1cc(I)c([C@H](Br)[C@H]2COc3ccccc3O2)s1 2338772126 DCGCFTFEFDHOOW-ZYHUDNBSSA-N 471.541 5.282 50 10 JKGE Cc1cc(Br)c(F)c(Br)c1[C@H](Br)[C@@H]1[C@@H]2CCCO[C@@H]21 2339655847 HXFOYLADFORAST-JJWQEOOBSA-N 456.975 5.520 50 10 JKGE CCc1ccsc1[C@H](Br)c1c(C)cc(Br)c(F)c1Br 2339673813 FBCPTDVCPKQEDN-GFCCVEGCSA-N 471.027 6.767 50 10 JKGE Cc1cc(Br)c(F)c(Br)c1[C@H](Br)[C@@H]1CCC[C@H](C)C1 2339679727 OHWRJRSLICWSEP-IYYTYJHQSA-N 457.019 6.921 50 10 JKGE C[C@H](Br)CN(Cc1cc(Cl)ccc1I)C1CCCC1 2342944624 ZOJGLIBJCFSIGU-NSHDSACASA-N 456.593 5.473 50 10 JKGE CC(C)C[C@H](CBr)CN(C)Cc1c(Br)cccc1Br 2353831176 QKHCZQYJTRGNLE-GFCCVEGCSA-N 456.060 5.701 50 10 JKGE Fc1cc(Cl)c(Br)c(Cl)c1[C@H](Cl)c1ccc(Br)c(Cl)c1 2360402902 VHEJUKOXDWCKDZ-GFCCVEGCSA-N 481.801 7.639 50 10 JKGE Fc1c(Br)cc(Cl)c([C@H](Cl)[C@@H]2[C@H]3CCC(F)(F)[C@@H]32)c1Br 2362233112 WNVHXXWIERJQSH-NIRPMWPWSA-N 452.923 6.575 50 10 JKGE BrCC(CBr)(CC1CCCCCC1)c1cccc(Br)c1 2364288895 SQMFIIGQYHHWPQ-UHFFFAOYSA-N 467.083 6.837 50 10 JKGE COc1c(Br)cc(C)c([C@H](Br)[C@@H]2C[C@]23CC3(F)F)c1Br 2365214475 AVBASIVJLNVRMG-NYNLCMDTSA-N 474.965 6.010 50 10 JKGE Cc1cc(Br)c(C(C)C)cc1[C@@H](Br)c1csc(C)c1Br 2380939638 MUVIFVGOKKPIFC-MRXNPFEDSA-N 481.091 7.498 50 10 JKGE N#C/C(=C/c1ccc(-c2ccc([N+](=O)[O-])cc2)o1)C(=O)Nc1ccc(Br)cc1F 867485 BCFIDFUORLWUIG-LCYFTJDESA-N 456.227 5.302 50 10 JKGE Cc1c(Cl)cccc1NC(=O)c1ccc(OCC(=O)N/N=C/c2cccc3ccccc23)cc1 1916265 XDUQANPAFBRJBA-MUFRIFMGSA-N 471.944 5.583 50 10 JKGE COc1cccc(/C=N/NC(=O)CSc2nc3ccccc3s2)c1OCc1ccc(C)cc1 32520783 OSTKTBDSZXTSSA-VULFUBBASA-N 477.611 5.435 50 10 JKGE C/C(=N/NC(=O)CSc1nnc(-c2ccccc2)n1-c1ccccc1)c1ccccc1OC(F)F 35125004 YENDSPKLRWQGHL-QRQIAZFYSA-N 493.539 5.168 50 10 JKGE N#CC1=C(N)Oc2cc(OC(=O)C(c3ccccc3)c3ccccc3)ccc2[C@H]1c1cccs1 38656674 FROXQWZJYUDXQR-AREMUKBSSA-N 464.546 5.704 50 10 JKGE C[C@@H](Oc1ccccc1F)C(=O)Oc1ccc2c(c1)OC(N)=C(C#N)[C@@H]2c1c(Cl)cccc1Cl 40529670 ZBHAFWWRKGULOC-MCMMXHMISA-N 499.325 5.724 50 10 JKGE Cc1cccnc1NC(=O)c1oc2c(c1C)/C(=N/NC(=O)Cc1coc3c(C)c(C)ccc13)CCC2 40826603 SUKUTBUWESSMFV-NJZRLIGZSA-N 484.556 5.306 50 10 JKGE COc1cc(/C=N/NC(=O)COc2cc(Cl)ccc2Cl)ccc1OCc1ccccc1 40840477 JWHSBDXTVDGNCM-LGJNPRDNSA-N 459.329 5.110 50 10 JKGE Cc1ccccc1COc1cccc(/C=N/NC(=O)CSc2nc(-c3ccccc3)cs2)c1 40924656 KSAZRGYQXLGEPJ-JFLMPSFJSA-N 473.623 5.940 50 10 JKGE CCCCCCCCCCCCCCCCCCOC(=O)N[C@@H]1CS(=O)(=O)C[C@H]1Cl 59568232 LUNKVNFGCDYLKV-FGZHOGPDSA-N 466.128 6.379 50 10 JKGE C[C@@H]1CCCC[C@H]1NC(=O)[C@@H](c1ccccc1Cl)N(Cc1ccc2c(c1)OCO2)C(=O)CCl 97914370 OXBNZVGDKMBCLD-SRDOKRBCSA-N 491.415 5.072 50 10 JKGE CC(C)CCC[C@@H](C)CCOc1cc(CBr)c(-c2ccccc2)cc1CBr 100191279 WYTSNLYONIAKFP-LJQANCHMSA-N 496.327 8.375 50 10 JKGE CCCCCCCOc1ccc(/C=C2/C(=O)N(CCc3ccc(OC)cc3)C(=O)C(C#N)=C2C)cc1 101340343 UDCLUHUIIYYPJV-NHFJDJAPSA-N 486.612 5.879 50 10 JKGE COc1ccc(Br)cc1[C@@H](Br)c1cccc(I)c1 109834890 JWVRPBAEOYETEK-AWEZNQCLSA-N 481.953 5.547 50 10 JKGE CC(C)Oc1cccc([C@H](Br)c2cc(Br)c(Br)s2)c1 128239044 ZRQNLFQMMYXKDO-ZDUSSCGKSA-N 469.036 6.545 50 10 JKGE COc1ccc([C@@H](Br)c2cc(Br)c(C)cc2Br)c(OC)c1 128834718 PCQNPMRPLKPSRY-MRXNPFEDSA-N 479.006 6.022 50 10 JKGE COc1ccc([C@@H](Br)c2cc(Br)c(Br)s2)cc1C 128868873 XOVJHERFECSSPC-GFCCVEGCSA-N 455.009 6.074 50 10 JKGE C=CCOc1ccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)/C=C\c4ccc(C)cc4)ccc32)cc1 205647900 UKQSCAUDCDPOKM-MWPQVSDCSA-N 464.521 5.397 50 10 JKGE CCCOc1ccccc1/C=C(/C#N)C(=O)Nc1sc(-c2ccccc2)cc1C(=O)OCC 206982521 GFUAHLOWQGEIKE-HKWRFOASSA-N 460.555 5.926 50 10 JKGE CCOc1ccc(C)cc1[C@H](C)N/C=C(/C#N)C(=O)Nc1ccc(Cl)c(C(F)(F)F)c1 217249401 HBLPREDTXDJOIB-UZFBZYOGSA-N 451.876 5.763 50 10 JKGE CCCOc1ccc([C@@H](Br)c2ccc(Br)c(F)c2)cc1Br 229006572 PRRZZQQSBRTXQY-MRXNPFEDSA-N 480.997 6.624 50 10 JKGE CCc1ccc([C@@H](Br)c2cc(Cl)ccc2I)cc1CC 234195622 NQCRECWNLGMJHI-QGZVFWFLSA-N 463.584 6.554 50 10 JKGE COc1cc(F)c(Br)cc1[C@H](Br)c1cc(Cl)ccc1Br 234913091 KIODGIANMIIAFY-CQSZACIVSA-N 487.388 6.497 50 10 JKGE C[C@H]1CCC[C@@](CBr)(NC(=O)c2cc(Br)cc(Br)c2)C1 235624419 VWDDGEYANRUMFP-ZUZCIYMTSA-N 468.027 5.285 50 10 JKGE Cc1cc(Br)c([C@H](Cl)c2cc(Cl)ccc2I)s1 235823759 PUDBNRRHIHLPNG-LLVKDONJSA-N 461.977 6.405 50 10 JKGE Fc1cccc(C[C@H](Br)c2cc(I)ccc2Br)c1 236217347 RXIMAONNWXBJNS-AWEZNQCLSA-N 483.944 5.872 50 10 JKGE CCCOc1ccc(C(=O)Oc2ccc(C=NNC(=O)Cc3cccc4ccccc34)cc2OC)cc1 254290523 BFXZUFQWDWOFEE-UHFFFAOYSA-N 496.563 5.549 50 10 JKGE Cn1c(=NNC(=O)c2cc(-c3ccc(-c4ccccc4)cc3)nc3ccccc23)sc2ccccc21 254432165 HNJHWTRGLIKRLF-UHFFFAOYSA-N 486.600 6.368 50 10 JKGE CC(=O)c1ccc(N=Nc2ccc(C[P+](c3ccccc3)(c3ccccc3)c3ccccc3)cc2)cc1 254508479 ODFAZBKZTCKCPR-UHFFFAOYSA-N 499.574 7.799 50 10 JKGE Cc1[nH]c2ccccc2c1C=NNC(=O)c1ccc(CSc2nc3ccccc3s2)cc1 254517524 BKEMBDVRYFSFFU-UHFFFAOYSA-N 456.596 6.142 50 10 JKGE Cc1ccc(COc2ccc(-c3cc(C(=O)NN=Cc4c(O)ccc5ccccc45)[nH]n3)cc2)cc1 254708155 XVDINDHLGDTKJK-UHFFFAOYSA-N 476.536 5.587 50 10 JKGE Cc1ccc(-c2nnc(SCC(=O)NN=Cc3sccc3C)n2C2CCCCC2)cc1 254813778 GDHZUHNRLDSYLO-UHFFFAOYSA-N 453.637 5.371 50 10 JKGE Cc1ccc(CSc2nnc(SCC(=O)NN=C/C(Cl)=C/c3ccccc3)s2)cc1 254833421 POONMPQLDXGLCA-UYCIAPPSSA-N 475.064 5.613 50 10 JKGE C[C@@H]1CN(Cc2ccccc2)CCCN1c1ccc(CBr)cc1Br 382665711 YHOGJIIFBPJUKS-MRXNPFEDSA-N 452.234 5.445 50 10 JKGE Cc1cc(Br)c([C@@H](Br)c2ccc(OCc3ccccc3)cc2)s1 393936795 DABAXTUDLMESDH-SFHVURJKSA-N 452.211 6.882 50 10 JKGE Cc1cc(F)c([C@H](Br)c2ccc(F)cc2I)cc1Cl 395555434 CZYJEIKCQOSAEC-CQSZACIVSA-N 457.483 6.016 50 10 JKGE C[C@@H](CC(C)(C)C)CC(CBr)(CBr)c1ccccc1Br 709071126 MGGCBOCBRGUSCO-ZDUSSCGKSA-N 469.099 6.939 50 10 JKGE CC(C)(C)[Si](C)(C)OCCc1cnc(NC(=S)Nc2cccc(OCCCN)c2)s1 725239401 NXFBTQSIDBTMTK-UHFFFAOYSA-N 466.749 5.244 50 10 JKGE O=C(CCCCCNc1ccc(C(F)(F)F)cc1[N+](=O)[O-])NN=Cc1cc(Cl)ccc1O 1083998332 MFELSQOMZGQZKC-UHFFFAOYSA-N 472.851 5.095 50 10 JKGE N#Cc1cccc(COc2ccc3ccccc3c2C=NNC(=O)c2ccccc2Br)c1 1084122035 MSBBNQUVHDRXLV-UHFFFAOYSA-N 484.353 5.817 50 10 JKGE Cc1cc(C=NNC(=O)CC[C@@H](O)c2ccccc2)c(C)n1-c1ccc(OCc2ccccc2F)cc1 1084178035 PMNHSJZNCMGACJ-GDLZYMKVSA-N 499.586 5.776 50 10 JKGE CCOc1ccc([C@H](O)CCC(=O)NN=Cc2ccc(-c3cccc(Cl)c3Cl)o2)cc1 1084247828 UDCSYSXNKFXENB-HXUWFJFHSA-N 461.345 5.616 50 10 JKGE COc1cc(/C=C(\C#N)C(=O)Nc2cccc(Cl)c2)ccc1OCc1ccc(Cl)cc1 1084371929 FDMLWJMDFJYEIA-WOJGMQOQSA-N 453.325 6.127 50 10 JKGE CCc1ccc(NC(=O)/C(C#N)=C\c2ccccc2OCc2ccc(Cl)c(Cl)c2)cc1 1084464964 IURWQFRPMGQUJC-ZHZULCJRSA-N 451.353 6.680 50 10 JKGE Cc1cc(C=NNC(=O)c2ccccc2Br)c(C)n1-c1ccc(Cl)c(Cl)c1 1084536546 HETQAHXXINXEBW-UHFFFAOYSA-N 465.178 5.927 50 10 JKGE CC(C)(C)N(N=Cc1cc(Cl)cc(Cl)c1Cl)C(=O)c1cc(Cl)cc(Cl)c1 1088704698 XZAOYRIHBWRXFD-UHFFFAOYSA-N 452.596 7.228 50 10 JKGE CCCCOc1ccc([C@@H]2CN(C(=O)OC(C)(C)C)C[C@@H]2CI)cc1 1614614835 KCMXXUBTPPIBSV-WMZOPIPTSA-N 459.368 5.251 50 10 JKGE Cc1c(C(=O)NNC(=O)c2cccc(Cl)c2)oc2c1C(=NNc1ccccc1)CC(C)(C)C2 1772729001 DLFAXOFSNUAJTK-UHFFFAOYSA-N 464.953 5.105 50 10 JKGE Cc1ccc2cccc(OC(=O)c3oc4c(c3C)C(=NNC(=O)c3cccc(Cl)c3)CCC4)c2n1 1772746896 BHFXFETZQKEFCJ-UHFFFAOYSA-N 487.943 5.788 50 10 JKGE CCCc1nn(Cc2ccc(Cl)cc2)c2c1[C@@H](c1ccc(Cl)c(Cl)c1)C(C#N)=C(N)O2 1865685966 POJRUHSPHTXVGS-FQEVSTJZSA-N 473.791 6.062 50 10 JKGE N#CC1=C(N)Oc2c(c(C(F)(F)F)nn2Cc2ccccc2F)[C@H]1c1ccc(Cl)cc1Cl 1865686616 XRUGWNLZFXNZCN-INIZCTEOSA-N 483.252 5.614 50 10 JKGE COc1ccc(-c2nn(CC(C)C)c3c2[C@H](c2c(OC)ccc4ccccc24)C(C#N)=C(N)O3)cc1 1865688149 KZMKTMBUQVRORU-VWLOTQADSA-N 480.568 5.595 50 10 JKGE CCc1nn(-c2cccc3ccccc23)c2c1[C@H](c1ccc(OCc3ccccc3)cc1)C(C#N)=C(N)O2 1865689954 HNLAUJQCSBBNJV-GDLZYMKVSA-N 498.586 6.385 50 10 JKGE N#CC1=C(N)Oc2c(c(-c3ccccc3)nn2-c2ccccn2)[C@H]1c1cc(Br)ccc1F 1865701708 CJFBLBRNKMWNGA-FQEVSTJZSA-N 488.320 5.054 50 10 JKGE Cc1ccc(SCCCC(=O)NNC(=O)c2ccc(-c3ccc(Cl)c(Cl)c3)nc2C)cc1 1865759380 XIWPCGQRPSRJRC-UHFFFAOYSA-N 488.440 6.006 50 10 JKGE CC/C(=C\C(=O)N[C@H](Cc1ccccc1)C(=O)Nc1ccc(SC#N)cc1)c1ccc(OC)cc1 1866687814 MXIOBVVBCYQBTK-FMPYCDKLSA-N 485.609 5.428 50 10 JKGE CCCC[C@@H](NC(=O)c1cc(-c2ccc(C)c(C)c2)n(C)n1)C(=O)Nc1ccc(SC#N)cc1 1866824878 BTHVGFDCTFRWKF-JOCHJYFZSA-N 475.618 5.204 50 10 JKGE COc1cc2c(cc1OC)C(C)(C)CN(c1cc(Nc3ccc(SC#N)cc3)nc(C)n1)C2 1868481039 XWYDQUZODNXABJ-UHFFFAOYSA-N 461.591 5.417 50 10 JKGE C[C@@H](Oc1ccc(Cl)cc1)/C(O)=C(\C#N)c1nc(-c2cccc(Br)c2)cs1 1872745995 MTLJSQNBCDMPSZ-JFLJVCDGSA-N 461.768 6.486 50 10 JKGE CCCCOc1ccc(/C(O)=C(\C#N)c2nc(-c3ccc(Br)cc3)cs2)cc1OCC 1872746331 CKNGIBMZPFMKJJ-NMWGTECJSA-N 499.430 7.100 50 10 JKGE CCOc1ccc(CC/C(O)=C(\C#N)c2nc(-c3ccc(OC)c(C)c3)cs2)cc1OC 1872746738 VQEHYYHSPHZUKZ-VZCXRCSSSA-N 450.560 5.960 50 10 JKGE Cc1ccc(-c2csc(/C(C#N)=C(\O)c3ccc4c(c3)C(=O)N(c3ccccc3Cl)C4=O)n2)cc1 1872749602 ZAGLGEPHQUBCLN-GFMRDNFCSA-N 497.963 6.522 50 10 JKGE Cc1cc(C)c(C)c(-c2csc(/C(C#N)=C(\O)[C@@H]3CC(=O)N([C@@H](C)c4ccccc4)C3)n2)c1C 1872754262 KNIWOTOJHQHMSN-OSECVORFSA-N 471.626 6.446 50 10 JKGE COc1c(Cl)cc(-c2csc(/C(C#N)=C(\O)COc3ccc(C)cc3C)n2)cc1Cl 1872755892 KXINAQNEXGKZKA-CYVLTUHYSA-N 461.370 6.614 50 10 JKGE COc1cc(Cl)c(C)cc1-c1csc(/C(C#N)=C(\O)CCCN2C(=O)c3ccccc3C2=O)n1 1872757151 SIKUMLGKXAUCSU-UZYVYHOESA-N 493.972 5.650 50 10 JKGE COc1ccc(-c2csc(/C(C#N)=C(\O)Cc3cc(Cl)ccc3Cl)n2)c(OC)c1OC 1872759075 CUVCKERWUPIGGZ-SDXDJHTJSA-N 477.369 6.178 50 10 JKGE CCOc1cc(/C=C(\C#N)c2nc(-c3cc(C)ccc3C)cs2)cc(Br)c1O 1872790711 ALCHKQFOBJXKGD-LZYBPNLTSA-N 455.377 6.358 50 10 JKGE COc1cc(Cl)c(C)cc1-c1csc(/C(C#N)=C/c2cccc(OCc3ccccc3)c2)n1 1872794087 JOXAPUPZZXFOEZ-CIAFOILYSA-N 472.997 7.424 50 10 JKGE CC(C)c1ccccc1O[C@H](C)/C(O)=C(\C#N)c1nc(-c2ccc(-c3ccccc3)cc2)cs1 1873940667 BWSPYOZISRDKOK-DQQTXVFNSA-N 466.606 7.861 50 10 JKGE Cc1c(Br)sc([C@@H](Br)[C@@H]2CCCC3(CC3)C2)c1Br 1922907665 WPXVLSQZCREHIN-KOLCDFICSA-N 457.069 6.988 50 10 JKGE Cc1c(Br)sc([C@H](Br)[C@@H]2C[C@@H]3C[C@H]3C[C@H]2C)c1Br 1922931149 ZPTNKEZQDXGWTD-VOLLVAIWSA-N 457.069 6.700 50 10 JKGE FC(F)(F)c1ccccc1[C@@H](Br)c1sc(Br)cc1Br 1922953783 HOQGVJBSYLHEDC-SNVBAGLBSA-N 478.953 6.776 50 10 JKGE Clc1c(Br)sc(Br)c1[C@@H](Br)[C@H]1COc2ccccc21 1923068547 TUGUUFHNXUYNNB-XVKPBYJWSA-N 487.438 6.539 50 10 JKGE Cc1sc(Br)c([C@H](Cl)c2cc(Br)sc2Br)c1C 1951014102 DUQQTDZBVGEDFB-SECBINFHSA-N 479.484 7.042 50 10 JKGE C[C@@H]([C@H](Br)c1c(Br)sc(Br)c1Cl)C(F)(F)F 1984587090 WBTVOSNQJHGDSK-OKKQSCSOSA-N 465.354 6.561 50 10 JKGE CC(C)(C)OC(=O)NCCCN(CCCCBr)c1cccc(Br)c1 1999508307 JGFFSBGGQZZEJW-UHFFFAOYSA-N 464.242 5.345 50 10 JKGE Cc1c([C@@H](Cl)c2cc(Br)c(Br)s2)nn(C)c1Br 2002829245 LLBJPHYJTUJQHX-ZETCQYMHSA-N 463.420 5.406 50 10 JKGE CCN(C[C@](C)(CI)OC[C@H]1CC12CCCC2)C(=O)OC(C)(C)C 2021268730 ZCZGGWITBDSMOK-QAPCUYQASA-N 451.389 5.034 50 10 JKGE FC(F)(F)c1ccc([C@H](Br)c2cc(Br)sc2Br)o1 2030058472 OARLYOCDPRCGPU-MRVPVSSYSA-N 468.914 6.369 50 10 JKGE CC[C@@H](Cl)c1cn(-c2cc(Br)c(Br)c(Br)c2)nn1 2034339827 SHCXRXAZKQBEEL-SECBINFHSA-N 458.379 5.245 50 10 JKGE N#CC(=C(Cl)c1cc(I)ccc1Br)c1cscn1 2035096939 RZUOONWANANPKM-UHFFFAOYSA-N 451.514 5.141 50 10 JKGE CC(C)[C@@H]1CCC[C@H]1[C@@H](Cl)c1c(Br)sc(Br)c1Br 2056445948 CGVBRTJMZXHITE-VAOFZXAKSA-N 479.503 7.388 50 10 JKGE COc1ccc([C@@H](Br)c2sccc2I)c(Cl)c1Cl 2083147689 XMETYLNVXAIPOS-SECBINFHSA-N 477.976 6.152 50 10 JKGE N#CC(=Cc1ccccc1)C(=O)N1CC[C@@H](c2ccc(F)cc2)[C@@H](COc2ccc3c(c2)OCO3)C1 2085405233 KDEKSZQMVPOIOG-BVAGGSTKSA-N 484.527 5.173 50 10 JKGE Fc1cc(Cl)c([C@@H](Br)c2c(Br)cccc2Br)cc1F 2094089901 BFYTXTHXDFQPGA-CYBMUJFWSA-N 475.352 6.628 50 10 JKGE CN(c1ccc(CBr)cc1Br)[C@H]1C[C@@H]2CC[C@H](C1)N2Cc1ccccc1 2094899784 FFLNYWHFDSTDHD-ACDBMABISA-N 478.272 5.976 50 10 JKGE Fc1cc(Cl)c(Br)cc1[C@@H](Br)c1ccc(Cl)cc1Br 2097834226 JOYRUVSLZOISMI-ZDUSSCGKSA-N 491.807 7.142 50 10 JKGE C[C@H]1CCC[C@@](CBr)(Cc2ccc(Br)cc2Br)CC1 2100845753 QPEYIBRCSOPFCT-LRDDRELGSA-N 453.056 6.736 50 10 JKGE CC(C)(C)C1CC(CBr)(Cc2cc(Cl)ccc2I)C1 2104972633 PMBUEMSZMCLXDF-UHFFFAOYSA-N 455.605 6.325 50 10 JKGE Fc1c(Cl)cccc1C[C@@H](Br)c1cc(Cl)ccc1I 2113462856 FHDPEJHYLNJZRV-LLVKDONJSA-N 473.938 6.416 50 10 JKGE Cc1c(Br)sc([C@@H](Br)c2ccc(C(F)F)cc2)c1Br 2116023451 BFOSGMJVYBFNRJ-JTQLQIEISA-N 474.990 7.003 50 10 JKGE BrC[C@@]1(Cc2c(Br)cccc2Br)CCCCC12CC2 2117007026 IYWCWZUUFDERIT-INIZCTEOSA-N 451.040 6.490 50 10 JKGE Cc1cc(Br)c(C)c([C@H](Br)[C@H]2CCC3(CC3)C2)c1Br 2136371476 OMHAKUUAACPTOH-XHDPSFHLSA-N 451.040 6.845 50 10 JKGE COc1ccc([C@@H](Cl)c2scc(Br)c2Br)c(Cl)c1Cl 2138643969 SPLSCEPNUVNVDF-SNVBAGLBSA-N 465.421 6.917 50 10 JKGE COc1c(Br)cc(C)cc1[C@H](Br)c1cccc(OCc2ccccc2)c1 2139006864 ZLTUXLPLNJAQLJ-OAQYLSRUSA-N 476.208 6.829 50 10 JKGE Cc1c(Br)c(C[C@H](CBr)Cc2ccccc2Br)nn1C 2150237093 IEBYYNCTUMAPIK-LLVKDONJSA-N 465.027 5.050 50 10 JKGE COc1cc(F)c([C@@H](Br)c2csc(Br)c2Br)cc1OC 2150344968 XJVHEBNTSLQBFF-LLVKDONJSA-N 488.998 5.914 50 10 JKGE Clc1cc(Br)c([C@@H](Br)c2ccc3cc(Br)ccc3c2)s1 2154474555 AFHSBYBUZYHKIR-AWEZNQCLSA-N 495.461 7.564 50 10 JKGE CC(C)(C)OC(=O)NCC[C@@H](N(C[C@H](CBr)C(C)(C)C)C1CC1)C(F)(F)F 2163063687 QXFMOUYFQGLVJG-DZGCQCFKSA-N 459.391 5.354 50 10 JKGE FC1(F)[C@@H]2CC[C@H](Oc3c(Br)cc(Br)cc3CBr)C[C@H]21 2166005401 SQDOWOAWLDKLGT-HBNTYKKESA-N 474.965 5.919 50 10 JKGE CN(Cc1ccccc1)C(C)(C)Cn1c(CCCl)nc2cc(Cl)c(Br)cc21 2169009904 SYYYKHYQRANJNQ-UHFFFAOYSA-N 469.254 6.144 50 10 JKGE CCc1nc([C@@H](Br)c2cc(Br)c(F)cc2OC)c(Br)s1 2169487421 FUQZJAACZWAHKK-NSHDSACASA-N 488.014 5.863 50 10 JKGE Fc1cc(Br)cc(N2CCc3cccc(Br)c32)c1CBr 2170697793 ZZSBCPCHJOGXRE-UHFFFAOYSA-N 463.970 5.940 50 10 JKGE Brc1ccc([C@H](Br)[C@@H]2CCC[C@H]3CCCC[C@H]32)c(Br)c1 2203687516 RSGYWYXYGIKTAL-LSCFUAHRSA-N 465.067 7.254 50 10 JKGE Cl[C@H](c1ccc(-c2cccs2)s1)c1cc(I)ccc1Br 2205864469 IGSPJWBMOGWJNP-HNNXBMFYSA-N 495.632 7.172 50 10 JKGE Clc1cc(CN2CCC[C@@H]3CC[C@@H](Br)C[C@@H]32)ccc1I 2208027414 ABPJAQSSRKWKBD-IOASZLSFSA-N 468.604 5.473 50 10 JKGE CC(C)(C)OC(=O)N[C@H](CBr)Cc1cc(C(F)(F)F)ccc1Br 2211516442 IVXFERAJXYPNFZ-NSHDSACASA-N 461.116 5.299 50 10 JKGE CC1(C)C[C@]1(Cl)[C@@H](Br)c1c(Br)sc(Br)c1Cl 2211989024 BPILVFNUXUODJC-WKEGUHRASA-N 471.867 6.770 50 10 JKGE CCC1CCC(OC2(CI)CCN(C(=O)OC(C)(C)C)CC2)CC1 2217225244 DLWWIMIREXDJPE-UHFFFAOYSA-N 451.389 5.177 50 10 JKGE Cc1sc([C@H](Br)c2c(Cl)sc(Cl)c2Cl)c(C)c1Br 2218963467 AAGQYWIYJQBUST-SSDOTTSWSA-N 469.478 7.633 50 10 JKGE Brc1c([C@H](Br)c2cscc2OCc2ccccc2)ccc2c1CCO2 2222173771 PXDQAABZCYKVEI-FQEVSTJZSA-N 480.221 6.509 50 10 JKGE Clc1ccc([C@H](Br)c2c(Br)cc(Cl)c(Cl)c2Cl)cc1 2224301548 BOPAPOKKVOWFQZ-NSHDSACASA-N 463.811 7.547 50 10 JKGE CC[C@H](C[C@@H](Br)c1cc(Br)c(Br)cc1F)C(C)(C)C 2225615917 AZMMKCVXDGGVOT-MWLCHTKSSA-N 459.035 7.249 50 10 JKGE Fc1cc(Br)c(Br)cc1[C@H](Br)C12CCCC1CCC2 2225616419 FUFPRZTUZLMYBW-WOFGGDGOSA-N 455.003 6.757 50 10 JKGE Clc1ccccc1C(CBr)(CBr)Cc1ncsc1Br 2226134393 PWTGEMIOTACYPZ-UHFFFAOYSA-N 488.470 5.829 50 10 JKGE Fc1cccc([C@H](Cl)Cc2ccc(Br)cc2Cl)c1I 2229142842 DPMYNPFXEQJRFX-GFCCVEGCSA-N 473.938 6.369 50 10 JKGE Clc1cc(Br)c([C@H](Br)C2[C@@H]3[C@H]4CC[C@@H](C4)[C@@H]23)c(Cl)c1Cl 2232511557 KOHHDTNVZGZVPD-HMIJAUANSA-N 459.436 7.137 50 10 JKGE COc1c(C(C)C)cc(Br)cc1[C@H](Br)c1ccc(Br)o1 2233160672 XNNHXUJJIJKESI-AWEZNQCLSA-N 466.995 6.421 50 10 JKGE Fc1cc(Br)c(Br)cc1[C@@H](Br)c1ccc(F)c(F)c1F 2233976011 NBHZZIGFJZQSGI-NSHDSACASA-N 476.887 6.252 50 10 JKGE CCOc1ccc(Br)cc1[C@H](Br)c1sc(C)c(Br)c1C 2234472660 ZWMWNJNMQVXANM-AWEZNQCLSA-N 483.063 6.773 50 10 JKGE CCCCc1ccc([C@@H](Br)c2cc(Cl)ccc2I)s1 2264369094 SESSMRMLBSEFGV-HNNXBMFYSA-N 469.613 6.833 50 10 JKGE Fc1cc([C@@H](Cl)c2c(F)cccc2I)c(F)cc1Br 2267659076 JUWWYEMDAKNTLT-CYBMUJFWSA-N 461.446 5.799 50 10 JKGE Fc1cc([C@@H](Br)Cc2ncccc2Br)c(Cl)cc1Br 2267763246 LAWNDLRLOBGYTB-VIFPVBQESA-N 472.377 6.078 50 10 JKGE Cc1cc(F)c(Br)cc1[C@@H](Br)c1sc(C)c(C)c1Br 2270429680 OMVBKWYHZNFSOG-CYBMUJFWSA-N 471.027 6.822 50 10 JKGE C[C@H]1Cc2cc(Br)cc([C@@H](Br)c3cc(Br)co3)c2O1 2270493151 ZWIVURVLILYKLD-WPPNPWJKSA-N 450.952 5.612 50 10 JKGE COc1ccc([C@@H](Br)c2ccc3sncc3c2)cc1I 2285006325 XBTCQDXIUNFYOD-HNNXBMFYSA-N 460.134 5.394 50 10 JKGE C[C@H](Br)CN(CC(C)(C)C)C(=O)c1ccc(Br)cc1Br 2288079794 YVXGUBKRXNAWOP-JTQLQIEISA-N 470.043 5.483 50 10 JKGE Fc1ccc([C@H](Cl)c2c(F)cc(Br)c(F)c2Br)cc1Br 2288354645 MFXGLBXCSOMQGV-LBPRGKRZSA-N 493.342 6.720 50 10 JKGE O=C(NN=CC=Cc1ccccc1)c1cc(-c2ccccc2OCc2ccc(Cl)cc2)[nH]n1 2293707252 NFRJHKHKEVGPGM-UHFFFAOYSA-N 456.933 5.738 50 10 JKGE COc1cc(C=C(C#N)C(=O)Nc2ccc(F)cc2)cc(Br)c1OCc1ccccc1 2294171876 GPSGRYBTTHEMDH-UHFFFAOYSA-N 481.321 5.721 50 10 JKGE COc1cc(C)c(Cl)cc1[C@H](Br)c1ccc(Br)cc1Br 2295299820 VLJANXUSSBREJB-OAHLLOKOSA-N 483.425 6.666 50 10 JKGE Cc1cccc(O[C@@H]2C[C@H](Br)[C@@]23CCC(F)(F)C3)c1I 2295336496 WWOGEGRAPPNOKT-SCRDCRAPSA-N 457.096 5.320 50 10 JKGE Fc1cc(Br)ccc1C[C@H](Br)c1cc2sc(Br)cc2s1 2295508521 FVFNUTSKKMMJMV-VIFPVBQESA-N 499.062 7.306 50 10 JKGE COc1ccc(-c2nn(-c3ccccc3)cc2C=C(C#N)C(=O)Nc2ccc(Cl)cc2)cc1OC 2297488318 GOALVXNNSYBCON-UHFFFAOYSA-N 484.943 5.756 50 10 JKGE CC1(C[C@@H](Br)c2cc(Br)ccc2OCc2ccccc2)CCCC1 2299488753 JLPJNOZYPNIJLY-LJQANCHMSA-N 452.230 7.435 50 10 JKGE C=CCc1cc(C=C(C#N)C(=O)Nc2cccc(Cl)c2Cl)cc(OC)c1OCc1ccccc1 2313570719 DTNSNKJKZRFVCL-UHFFFAOYSA-N 493.390 6.855 50 10 JKGE Cc1cccc(NC(=O)C(C#N)=Cc2cc(Br)ccc2OCc2ccccc2F)c1C 2313667554 PFCLSZJRRJABKT-UHFFFAOYSA-N 479.349 6.330 50 10 JKGE CCOC(=O)c1c(NC(=O)C(C#N)=Cc2ccc(C(C)(C)C)cc2)sc2c1CC[C@@H](CC)C2 2314571751 LJCHMHNQOIAVCB-QGZVFWFLSA-N 464.631 6.283 50 10 JKGE C[C@@H]1OCC[C@@H]1[C@H](Br)c1c(Cl)cc(Br)c(F)c1Br 2315442780 ZHJHUPWCSUTJTK-VGIXGZPDSA-N 465.382 5.865 50 10 JKGE C[C@@H]1CC[C@@](C)([C@H](Br)c2sc(Cl)cc2I)C1(C)C 2316607947 WXZJPIOBNZPJDK-RGZBUGHASA-N 461.634 6.905 50 10 JKGE Cc1cc(Br)c(F)c(Br)c1[C@@H](Cl)c1cnsc1Br 2317429973 YLALVBSCZAVVOP-VIFPVBQESA-N 478.406 6.206 50 10 JKGE CC(C)(C)OC(=O)N1CCC[C@@](CI)(OC[C@@H]2CC[C@H]2C(C)(C)C)C1 2320181871 JXQNOZXPFMKXNL-YRNRMSPPSA-N 465.416 5.280 50 10 JKGE CCN(CC)c1ccc(NC=C(C#N)C(=O)Nc2ccc(Cl)c(C(F)(F)F)c2)c(C)c1 2320907491 NPTMUOLRRIZTLJ-UHFFFAOYSA-N 450.892 5.972 50 10 JKGE CC1(C)C[C@@H](Cc2ccc(I)c(Br)c2)C[C@@H](Br)C1 2325171850 AJHYXSQTNQEREX-NWDGAFQWSA-N 486.029 6.186 50 10 JKGE CCCCCCCCCOc1ccc(C=C(C#N)c2nc3ccccc3[nH]2)cc1Br 2331021471 XQAXTHWVVRLGNW-UHFFFAOYSA-N 466.423 7.519 50 10 JKGE CC(C)(C)c1ccc(OCCCC(O)=C(C#N)c2nc(-c3ccc(-c4ccccc4)cc3)cs2)cc1 2331232064 OIVZHPPMHGXHTK-UHFFFAOYSA-N 494.660 8.426 50 10 JKGE CCCCc1ccc(-c2csc(C(C#N)=C(O)[C@@H]3CC(=O)N(c4c(C)cccc4CC)C3)n2)cc1 2331256048 QSVXNNOMJQWZTR-HSZRJFAPSA-N 485.653 6.869 50 10 JKGE Cc1ccc(-c2csc(C(C#N)=C(O)[C@H](CC(C)C)N3C(=O)c4ccccc4C3=O)n2)c(C)c1 2331308973 IOMGKCXNWFYDOR-QHCPKHFHSA-N 471.582 5.931 50 10 JKGE COc1ccc(C=C(C(O)=C(C#N)c2nc(-c3cccs3)cs2)c2ccccc2)cc1OC 2331326754 PFYXGNLKQHUFJV-UHFFFAOYSA-N 472.591 6.922 50 10 JKGE CCCCCCCOc1ccc(-c2csc(C(C#N)=C(O)c3ccc(OC)c(OC)c3)n2)cc1 2331344830 QEWXROYEOVIWPT-UHFFFAOYSA-N 478.614 7.126 50 10 JKGE COc1ccc(C(C)(C)C)cc1-c1csc(C(C#N)=C(O)c2cc(OC)c(OC)c(OC)c2)n1 2331349271 GNYSGOQAWOUJEB-UHFFFAOYSA-N 480.586 6.092 50 10 JKGE COc1ccc(C(C)(C)C)cc1-c1csc(C(C#N)=C(O)C=Cc2ccccc2Cl)n1 2331350688 MEKKHVCOSILZNZ-UHFFFAOYSA-N 450.991 7.276 50 10 JKGE COc1cc(C=C(C#N)c2nc(-c3ccc(F)cc3)cs2)ccc1OCCc1ccccc1 2331459084 JNCSEVBKJCNHOF-UHFFFAOYSA-N 456.542 6.643 50 10 JKGE Cc1c(Br)csc1[C@@H](Cl)c1c(F)cc(Cl)c(Br)c1Cl 2335300954 BJXFYZMDZNDIRF-NSHDSACASA-N 467.412 7.356 50 10 JKGE COc1ccc(C)c([C@H](Br)c2cc(Br)ccc2OCc2ccccc2)c1 2336056030 FSYUCWJXZXOINV-QFIPXVFZSA-N 476.208 6.829 50 10 JKGE CC1(C)C2CCC1([C@H](Br)c1ccc(OCc3ccccc3)cc1Br)CC2 2336086496 NXDAXGGJUMCSEZ-VSZUSUSQSA-N 478.268 7.681 50 10 JKGE CC(C)(C)C1CCC([C@H](Br)c2sc(Cl)cc2I)CC1 2338557892 CNTSJJWIGQXKJY-ZPPKWKGLSA-N 475.661 7.295 50 10 JKGE COc1c(Br)cc(C)c([C@@H](Br)c2ccc(C)s2)c1Br 2339640057 UBKWMISHFHUOBO-LBPRGKRZSA-N 469.036 6.383 50 10 JKGE CCc1cc(Br)c(OC)c([C@H](Cl)c2cscc2OCc2ccccc2)c1 2353038258 QMXVTVDFOSQQSK-FQEVSTJZSA-N 451.813 6.989 50 10 JKGE Clc1ccc(CN2CCC[C@@H]3CC[C@H](Br)C[C@@H]32)cc1I 2362381586 XOMHBPYFNWODHN-WWGRRREGSA-N 468.604 5.473 50 10 JKGE COc1ccc(C[C@H](Br)c2sc(C)c(C)c2Br)c(Br)c1 2364263190 JQDSYIOBYOWUJU-ZDUSSCGKSA-N 483.063 6.577 50 10 JKGE Cc1ccccc1C[C@@H](Br)c1c(C)cc(Br)c(F)c1Br 2365177611 BONMFODGLDXIBA-GFCCVEGCSA-N 464.998 6.646 50 10 JKGE COc1cccc([C@@H](Br)c2c(C)cc(Br)c(F)c2Br)c1 2365179977 QMGYBBBRAQFGCE-CYBMUJFWSA-N 466.970 6.152 50 10 JKGE COc1c(Br)cc(C)c([C@H](Br)[C@@H]2C[C@]2(C)C(F)F)c1Br 2365194128 OJNUBOSRQXNIHK-WLGBHJCYSA-N 476.981 6.256 50 10 JKGE Fc1ccc(OCc2ccc(Cl)cc2I)c(CBr)c1Cl 2365648664 WZVYQDJZHAYOPK-UHFFFAOYSA-N 489.937 6.211 50 10 JKGE CC(C)(C)[C@@H]1CC[C@H]1[C@H](Br)c1c(Cl)cc(Br)c(F)c1Br 2369229915 KNCRIWXCNIAZQK-RWYTXXIDSA-N 491.464 7.512 50 10 JKGE Cc1scc([C@H](Br)c2cc(Br)c3c(c2)C[C@@H](C)O3)c1Br 2369596084 JUOXWBYDRARARP-NXSYQRQQSA-N 481.047 6.389 50 10 JKGE FC1(F)[C@H]2C[C@@H](CO[C@H](CI)c3ccc(Br)cc3)C[C@H]21 2369982988 QIHWCUSTIMGENQ-GJQVQUKXSA-N 457.096 5.233 50 10 JKGE CCCCOc1ccc(/C=C(\C#N)C(=O)Nc2sc(-c3ccccc3)cc2C(=O)OCC)cc1 33346414 RSXZHADSJFPKIC-LTGZKZEYSA-N 474.582 6.316 50 10 JKGE COc1cc(/C=C(/C#N)C(=O)Nc2ccc(NC(C)=O)cc2)ccc1OCc1ccc(C)cc1 33511259 ZNHOHCXJDWFTOM-HMAPJEAMSA-N 455.514 5.087 50 10 JKGE COc1ccccc1NC(=O)/C(C#N)=C\c1ccc(-n2nc(-c3ccccc3)cc2-c2ccccc2)cc1 33568590 FNIMTMSDZDZNIY-QOMWVZHYSA-N 496.570 6.761 50 10 JKGE Cc1ccc(NC(=O)/C(C#N)=C2/S[C@@H](Cc3ccc(F)cc3)C(=O)N2c2ccc(C)cc2)cc1 33579294 AESZYBDQFLYYDR-BSSRNLCFSA-N 471.557 5.508 50 10 JKGE N#C/C(=C\c1ccc(-c2ccc(C(=O)O)cc2)o1)c1nc(-c2ccc(Br)cc2)cs1 35518418 YLCWOSLSBMRGPB-GZTJUZNOSA-N 477.339 6.595 50 10 JKGE CCCCOc1ccc(-c2nn(-c3ccccc3)cc2/C=C2/C(=O)N(CC)C(=O)C(C#N)=C2C)c(C)c1 38603128 DJDLBIILWNCLEX-YZSQISJMSA-N 494.595 5.639 50 10 JKGE N#CC1=C(N)Oc2cc(OC(=O)c3cccc4ccccc34)ccc2[C@@H]1c1ccccc1Cl 38651054 HEEJSOUHWWPBRK-VWLOTQADSA-N 452.897 5.931 50 10 JKGE CCCCOc1ccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4ccco4)ccc32)cc1OCC 38684054 FVEIYORHYOGWQK-VWLOTQADSA-N 474.513 5.295 50 10 JKGE COc1cc(/C=N/NC(=O)COc2cc(C)cc(C)c2)cc(Br)c1OCc1ccccc1 40912377 MYCLDINUYJEEDF-MZJWZYIUSA-N 497.389 5.183 50 10 JKGE COc1cc(/C=N\NC(=O)CC[C@@H](O)c2ccccc2)cc(Cl)c1OCc1ccc(Cl)cc1 58889813 ZTBOZXRERYRFOI-HSMHNTNPSA-N 487.383 5.545 50 10 JKGE Cc1c(Br)c(/C=N/NC(=O)COc2ccccc2Cl)c(C)n1-c1ccccc1 59104456 JYXGCPDWESEBBC-WYMPLXKRSA-N 460.759 5.039 50 10 JKGE O=C(CSc1ccccc1)N/N=C1\C(=O)N(Cc2c(Cl)cccc2Cl)c2ccccc21 59166891 OGNUNYKINAGGGD-QYQHSDTDSA-N 470.381 5.153 50 10 JKGE CCOC(=O)c1cc(C(C)C)sc1NC(=O)/C(C#N)=C\c1c[nH]nc1-c1ccc(F)cc1 96438789 ZGMGJGPNWQXFDB-DHDCSXOGSA-N 452.511 5.123 50 10 JKGE COc1ccc([C@@H](C(=O)NC2CCCCC2)N(Cc2ccccc2Cl)C(=O)CCl)cc1 97914304 VRARDAHHVHDWGQ-QHCPKHFHSA-N 463.405 5.106 50 10 JKGE COc1cc([N+](=O)[O-])ccc1N/C=C(/C#N)c1nc(-c2cc3c(ccc4ccccc43)oc2=O)cs1 104346310 WCHJWXLUUMWQLG-SSZFMOIBSA-N 496.504 5.963 50 10 JKGE CCCOc1ccc(/C=C(/C#N)C(=O)Nc2scc(-c3ccc(OC)cc3)c2C(=O)OCC)cc1 108748140 HFQLOSQWDFQZGY-HKWRFOASSA-N 490.581 5.935 50 10 JKGE Fc1ccc(Cl)cc1[C@@H](Br)c1cc(Br)ccc1Br 109844576 JYPLJWZAJDTQNP-ZDUSSCGKSA-N 457.362 6.488 50 10 JKGE Fc1ccc(C[C@H](Br)c2cc(Br)c(Br)s2)cc1F 128228497 NBXITKMQJUEODE-ZETCQYMHSA-N 460.963 6.230 50 10 JKGE Brc1cc([C@@H](Br)CC23CC4CC(CC(C4)C2)C3)sc1Br 128290838 QIORESIAKDWVHR-XZFICEMMSA-N 483.107 7.316 50 10 JKGE Cc1cc(Br)c([C@@H](Br)c2cccc(OC(C)C)c2)cc1Br 128782357 VSRLYSWZOBGDQU-KRWDZBQOSA-N 477.034 6.792 50 10 JKGE CC1CCC(CBr)(NC(=O)c2cc(Br)ccc2Br)CC1 161225067 RCONDOWYXJIYHM-UHFFFAOYSA-N 468.027 5.285 50 10 JKGE CC(C)=CCC[C@H](C)[C@H]1CC[C@@]2(C)[C@@H]3CC[C@H]4C(C)(C)[C@@H](O[Si](C)(C)C)CC[C@@]45C[C@]35CC[C@]12C 195753618 XFTNKWBWGDTMQL-COUNHVOFSA-N 498.912 10.028 50 10 JKGE COc1cc(/C=C(/C#N)C(=O)NCc2ccccc2)ccc1OC(=O)COc1ccc(C(C)C)cc1 206398577 VQKHFLVVXAFKKT-IWIPYMOSSA-N 484.552 5.026 50 10 JKGE CCCCOc1cc(/C=C(/C#N)C(=O)Nc2sc(C)c(C)c2C(=O)OCC)ccc1OC 209408229 KLWQYMZSSSTJMS-PDGQHHTCSA-N 456.564 5.275 50 10 JKGE N#C/C(=C/Nc1ccccc1Sc1ccccc1)C(=O)N1CCN(c2ccc(F)cc2)CC1 217237114 PNLMMHSPQCYRJB-VXPUYCOJSA-N 458.562 5.145 50 10 JKGE COc1ccc([C@@H](Br)c2ccccc2Br)c(OC)c1Br 224865087 AQQXOVCEHSQFKZ-ZDUSSCGKSA-N 464.979 5.713 50 10 JKGE Cc1ccc(Br)cc1[C@H](Br)c1cc(Br)c(Cl)s1 227844760 KJJYFVDAXBOUAH-NSHDSACASA-N 459.428 6.719 50 10 JKGE Cl[C@H](c1ccc2c(c1)CCCO2)c1cc(Br)ccc1I 236048224 VULIQWMFPJLDQT-MRXNPFEDSA-N 463.540 5.707 50 10 JKGE Cc1ccc(-n2c(C)cc(C=NNC(=O)Cn3c4ccccc4c(=O)c4ccccc43)c2C)cc1 254383641 FISFZWCOEIHCKY-UHFFFAOYSA-N 462.553 5.021 50 10 JKGE aggregator CCCCCCCCCCOc1ccc(C(=O)NN=C2CCCc3cc(OC)cc(C)c32)cc1 254607422 IYDLNIUYUFHVNX-UHFFFAOYSA-N 464.650 6.994 50 10 JKGE BrCc1cc2c(I)ccc(I)c2s1 307421354 BHNAAMMBWZAHKO-UHFFFAOYSA-N 478.918 5.005 50 10 JKGE FC(F)(F)c1csc([C@@H](Cl)c2cccc(OCc3ccccc3)c2)c1Br 388353284 BJJWKCIBKBVMBK-KRWDZBQOSA-N 461.730 7.437 50 10 JKGE Fc1ccc([C@H](Br)c2cc(Cl)c(Cl)c(Cl)c2Cl)c(Br)c1 404655977 NJULMUVPRZYORB-JTQLQIEISA-N 481.801 7.686 50 10 JKGE Cl[C@@H](c1cc(Br)c(Br)s1)c1cscc1Br 404850634 QKTSQWSYZRNOKT-MRVPVSSYSA-N 451.430 6.425 50 10 JKGE Cn1ncc([C@H](Br)c2cc(Cl)c(Cl)c(Cl)c2Cl)c1Br 404973287 ZSHSJYBTDLJWAE-SSDOTTSWSA-N 467.803 6.281 50 10 JKGE C[C@H](Cl)c1nc2cccc(Br)c2n1-c1ccccc1I 697740744 LQQBYWKAVYLNHO-VIFPVBQESA-N 461.528 5.692 50 10 JKGE COc1ccc(Oc2ccc(CCl)c(Br)c2)cc1I 712918161 CBTDFFNEGJVZLO-UHFFFAOYSA-N 453.501 5.593 50 10 JKGE C[C@@H]1Cc2cc(Br)cc([C@H](Br)c3ccccc3Br)c2O1 720055495 XOIDWJRRILICGR-RFAUZJTJSA-N 460.991 6.019 50 10 JKGE C[C@@](CI)(OC1CCCCCCC1)c1ccccc1Br 721096668 AETPFPHQTKHRAZ-KRWDZBQOSA-N 451.186 6.229 50 10 JKGE N#Cc1ccccc1COc1c(Cl)cc(C=NNC(=O)CC[C@@H](O)c2ccccc2)cc1Cl 725381370 AOFAQBAEBQYLML-HSZRJFAPSA-N 482.367 5.408 50 10 JKGE C=CCc1cc(C=NNC(=O)CC[C@@H](O)c2ccccc2)cc(OCC)c1OCc1cccc(F)c1 725446075 CVJTZTYCPBDNTE-AREMUKBSSA-N 490.575 5.496 50 10 JKGE CCOc1ccc([C@H](O)CCC(=O)NN=Cc2cc(C)n(-c3cccc(Cl)c3C)c2C)cc1 1084518480 WPHHVRYRNNTOSX-RUZDIDTESA-N 467.997 5.419 50 10 JKGE CCOc1ccc([C@H](O)CCC(=O)NN=Cc2cn(Cc3cccc(C)c3)c3ccccc23)cc1 1084597167 VMLFQTZGVDFFJN-MUUNZHRXSA-N 469.585 5.361 50 10 JKGE N#CSc1ccc(NC(=O)c2cc(CCc3ccccc3)n(Cc3c(F)cccc3Cl)n2)cc1 1862326853 NZFCDDMPGPJCJL-UHFFFAOYSA-N 490.991 6.335 50 10 JKGE COc1ccc(-c2nn(Cc3ccccc3Cl)c3c2[C@@H](c2ccccc2)C(C#N)=C(N)O3)cc1 1865680635 QMFBIPAFEAJMFK-QHCPKHFHSA-N 468.944 5.479 50 10 JKGE CC(C)c1ccc([C@H]2C(C#N)=C(N)Oc3c2c(C(F)(F)F)nn3Cc2cccc(Cl)c2)cc1 1865684959 CBLHMFAJUQQWDU-IBGZPJMESA-N 472.898 5.945 50 10 JKGE CCCCCOc1ccc([C@@H]2C(C#N)=C(N)Oc3c2c(C)nn3Cc2cc(C)ccc2C)cc1 1865689556 CAALGLXWULVFRT-AREMUKBSSA-N 456.590 5.644 50 10 JKGE CCCCOc1ccc([C@H]2C(C#N)=C(N)Oc3c2c(CCC)nn3-c2ccc(OC)cc2)cc1 1865691848 CKYGDDAGKUYTPB-DEOSSOPVSA-N 458.562 5.230 50 10 JKGE CCCCOc1c(Br)cc([C@@H]2C(C#N)=C(N)Oc3c2c(C)nn3CC(C)C)cc1OC 1865692029 HQFAVTXJMHKNBA-HXUWFJFHSA-N 489.414 5.016 50 10 JKGE CCCc1nn(CC(C)C)c2c1[C@H](c1ccc(OCc3ccc(Cl)cc3)cc1)C(C#N)=C(N)O2 1865695397 OCURJGUFFHWRNJ-XMMPIXPASA-N 477.008 5.942 50 10 JKGE Cc1ccc(-n2nc(C)c3c2OC(N)=C(C#N)[C@H]3c2ccc(OCc3ccccc3C)cc2)cc1 1865703496 WUDWAGKLQPONCW-HHHXNRCGSA-N 462.553 5.595 50 10 JKGE CCCc1nn(-c2ccccn2)c2c1[C@@H](c1ccc(N(CC)Cc3ccccc3)cc1)C(C#N)=C(N)O2 1865706649 BSPDNJFANIVQOU-MHZLTWQESA-N 490.611 5.464 50 10 JKGE CCc1nc(Nc2ccc(SC#N)cc2)cc(N2CCC[C@H]2C(=O)c2ccc(OC)c(C)c2)n1 1868277664 DGZRASZUXJXFKK-NRFANRHFSA-N 473.602 5.525 50 10 JKGE N#C/C(=C\c1ccccc1OCc1ccc(Cl)c(Cl)c1)S(=O)(=O)c1ccc(Cl)cc1 1872727276 LUOISDGGGBZOCK-XDHOZWIPSA-N 478.784 6.564 50 10 JKGE CC(C)N1C(=O)c2ccc(/C(O)=C(\C#N)c3nc(-c4ccc(Br)cc4)cs3)cc2C1=O 1872746449 IQFLWOBPNUMQSH-ZZEZOPTASA-N 494.370 5.527 50 10 JKGE CCCCCCOc1ccc(/C(O)=C(\C#N)c2nc(-c3ccc4c(c3)OCCO4)cs2)cc1 1872750865 NKOQLOKZWQAZLW-DAFNUICNSA-N 462.571 6.490 50 10 JKGE N#C/C(=C(/O)c1cc(C(F)(F)F)cc(C(F)(F)F)c1)c1nc(-c2ccc(F)c(F)c2)cs1 1872751289 ADLDWTYMZLEFKY-LGMDPLHJSA-N 476.348 7.076 50 10 JKGE COc1ccc(C(C)(C)C)cc1-c1csc(/C(C#N)=C(\O)c2cc3ccccc3oc2=O)n1 1872751700 SKQICCBGGRZTEZ-NMWGTECJSA-N 458.539 6.172 50 10 JKGE CCc1ccc(-c2csc(/C(C#N)=C/c3ccc(OCc4ccc(Cl)cc4)c(OC)c3)n2)cc1 1872781766 PJPPPEAHONCRSZ-OEAKJJBVSA-N 487.024 7.678 50 10 JKGE COc1ccc(/C=N/NC(=O)CCCCCNC(=O)OC(C)(C)C)cc1OCc1ccc(C)cc1 1873795672 WOESROWSBRDYPM-RDRPBHBLSA-N 483.609 5.118 50 10 JKGE Fc1cc(Cl)cc([C@@H](Br)c2cc(Br)ccc2Br)c1 1918783523 PFPXOKNXJTXWKP-CYBMUJFWSA-N 457.362 6.488 50 10 JKGE Cc1c(Br)sc([C@@H](Br)C2CC3(CCOC3)C2)c1Br 1922933045 ROHJHDVXCFRQOA-SLYADPJGSA-N 459.041 5.834 50 10 JKGE Cc1c(Br)sc([C@H](Br)c2ccoc2Br)c1Br 1922934149 CSGUKXGRTUBAJH-SSDOTTSWSA-N 493.840 6.421 50 10 JKGE Cc1cccc([C@@H](Br)c2c(Br)sc(Br)c2Cl)c1F 1923039221 NBBCYDXDYMAECA-MRVPVSSYSA-N 477.418 6.858 50 10 JKGE C[C@@]1([C@H](Br)c2c(Br)sc(Br)c2Cl)CCOC1 1923061278 IXLSZPGEZOSWBO-GMSGAONNSA-N 453.421 5.789 50 10 JKGE Clc1c(Br)ccc(CBr)c1N1CC[C@@H](OCc2ccccc2)C1 1939324183 VTCIFEMTERDBSM-OAHLLOKOSA-N 459.609 5.793 50 10 JKGE Cc1sc(Br)cc1[C@@H](Br)c1c(Cl)cccc1Br 2003558256 RTQJWAWGSBFELQ-GFCCVEGCSA-N 459.428 6.719 50 10 JKGE FC1(F)CC2(C[C@H]2[C@H](Br)c2cc(Br)c(Br)s2)C1 2015445276 UJKMOQOBRQSOMU-XNCJUZBTSA-N 450.968 6.145 50 10 JKGE Cc1cc([C@H](Br)c2c(Br)sc(C)c2C)c(Br)s1 2024028632 NSQSFDCMWXFBOS-JTQLQIEISA-N 459.066 6.744 50 10 JKGE C[C@]12CO[C@]([C@@H](Cl)c3c(Br)sc(Br)c3Br)(C1)C2 2025087590 HOHBVRWTPNSPBO-BKDNQFJXSA-N 465.432 5.885 50 10 JKGE Clc1ccc(Br)cc1CC(CBr)(CBr)C1CCC1 2047993680 VTFHGQGKXYZTIR-UHFFFAOYSA-N 459.447 6.221 50 10 JKGE Brc1ccccc1[C@H](Br)Cc1c(Br)cccc1Br 2050533733 UGZIUOIIXIWCAK-CQSZACIVSA-N 497.850 6.653 50 10 JKGE Cc1cc(C(=O)C(C#N)=C2C(=O)Nc3ccc([N+](=O)[O-])cc32)c(C)n1-c1cccc(C(F)(F)F)c1 2053515425 SLXDLBGLQXGHFM-UHFFFAOYSA-N 480.402 5.133 50 10 JKGE C[C@@H]1CCc2c1c(CBr)nn2Cc1ccc(C(F)(F)F)cc1Br 2080700553 FHBLBAWBVAASKL-SECBINFHSA-N 452.112 5.657 50 10 JKGE Clc1cc(Br)cc(C[C@@H](Br)c2ccccc2Br)c1 2081566720 SXFFUVVXXLWUPU-CQSZACIVSA-N 453.399 6.544 50 10 JKGE COc1cc(Cl)c([C@@H](Br)c2occc2Br)cc1Br 2082382660 QBSILTBGENOSOK-LLVKDONJSA-N 459.359 5.951 50 10 JKGE Cc1cc(Br)c([C@H](Br)CC(C)(C)C(F)(F)F)cc1Br 2094019934 NIPAERRLIOGVDK-LLVKDONJSA-N 466.961 6.935 50 10 JKGE Clc1cc([C@@H](Br)c2cc(C3CC3)c(Br)s2)ccc1Br 2094673678 NQTMWOYNJAQYAS-CYBMUJFWSA-N 485.466 7.288 50 10 JKGE ClCc1nc2cc(Br)c(Cl)cc2n1Cc1ccn(Cc2ccccc2)n1 2103621739 DGHVSCLAHTUGPZ-UHFFFAOYSA-N 450.167 5.484 50 10 JKGE C[C@H]1CO[C@@H](CC(CBr)(CBr)c2ccc(Br)cc2)C1 2110066838 NZHXIFOZZYCVSR-BXUZGUMPSA-N 455.028 5.292 50 10 JKGE Cc1c(Cl)cc([C@@H](Br)c2ccc(F)c(Br)c2)cc1Br 2111098131 ZDECNPJJESTSSO-AWEZNQCLSA-N 471.389 6.797 50 10 JKGE Brc1ccc(Br)c(CN2C[C@@H](Br)CCC23CCC3)c1 2118521326 DERXERZOOPPCCV-ZDUSSCGKSA-N 452.028 5.494 50 10 JKGE Cl[C@H](c1c(Br)sc(Br)c1Br)[C@@H]1C[C@H]1C1CCCCC1 2135272815 JRRHHVJVACOALG-SBMIAAHKSA-N 491.514 7.532 50 10 JKGE COc1c(C)cc(Br)cc1[C@H](Br)c1cc(Br)oc1C 2141622777 OGUMOVZJTUXROQ-CYBMUJFWSA-N 452.968 5.914 50 10 JKGE CC(C)Cc1nc(-c2ccc(Br)cc2I)oc1CCl 2142286106 XQJOJGHJHCFVPB-UHFFFAOYSA-N 454.533 5.646 50 10 JKGE CC1(C)CCN(Cc2ccc(I)c(Cl)c2)C[C@H]1CBr 2142942503 DPLYUKUXQYUUNB-GFCCVEGCSA-N 456.593 5.188 50 10 JKGE Cn1nc([C@H](Br)c2scc(C(F)(F)F)c2Br)c(Cl)c1Cl 2150719296 XWRSIGXHZCZVKF-YFKPBYRVSA-N 472.939 6.054 50 10 JKGE Clc1c(Br)cccc1C[C@@H](CBr)Cc1ccccc1Br 2166825253 UTJJISVFUKQPNK-NSHDSACASA-N 481.453 6.661 50 10 JKGE COc1cc(F)c(Br)cc1[C@H](Br)c1nn(C)c(Cl)c1Br 2167049858 HLPFHAYCHPNJKM-VIFPVBQESA-N 491.380 5.231 50 10 JKGE Clc1ccc(I)c(CN2C[C@H](CBr)C3(CCCC3)C2)c1 2175215923 QYNLJFJWWSENOV-ZDUSSCGKSA-N 468.604 5.332 50 10 JKGE O=S(=O)(c1cc(CBr)c(Cl)cc1Cl)N(Cc1ccccc1)C[C@H]1CCCO1 2179829420 ASIMHNQFJFOUHG-MRXNPFEDSA-N 493.250 5.258 50 10 JKGE COc1cc(C)c([C@@H](Br)c2cccc(Br)c2C)cc1Br 2198737180 MOEVYEMUSIDACX-INIZCTEOSA-N 463.007 6.321 50 10 JKGE CCOc1cc(CBr)cc(Br)c1OCc1cc(Br)sn1 2204658048 DUBJUQWWQLQXLQ-UHFFFAOYSA-N 486.023 5.541 50 10 JKGE Cc1sc([C@@H](Br)c2sc(Cl)cc2Br)c(C)c1Br 2213745391 VAADXUCANOUNSE-SECBINFHSA-N 479.484 7.089 50 10 JKGE Cc1ccc([C@H](Br)Cc2ccc(Br)cc2)cc1I 2217864480 KJCHCZYGQRIYCR-CQSZACIVSA-N 479.981 6.041 50 10 JKGE C[C@H](CN(C)Cc1ccccc1)n1c(CCl)nc2cc(Br)c(Br)cc21 2218659784 NZWPUCZKZAKOLD-CYBMUJFWSA-N 485.651 5.993 50 10 JKGE Cc1c(Br)sc([C@H](Br)c2nn(C)c(Br)c2C)c1C 2218786111 WLJSXXQQXAWKQG-MRVPVSSYSA-N 457.029 5.416 50 10 JKGE Cc1sc([C@@H](Cl)c2c(Cl)sc(Br)c2Cl)c(Br)c1C 2221839508 WSKHCBVNPVYHMA-ZETCQYMHSA-N 469.478 7.586 50 10 JKGE Fc1cc2nc(CCl)n(C[C@@H]3CC3(Br)Br)c2cc1Br 2224806276 PMUHHQYXZHXSSQ-LURJTMIESA-N 475.381 5.183 50 10 JKGE Cc1cc(Br)c([C@@H](Br)[C@@]2(C)CCCOC2)c(C)c1Br 2227356627 RWWWESYMKLBNPH-CABCVRRESA-N 455.028 6.081 50 10 JKGE Cc1cc(Br)c([C@H](Cl)c2c(C)c(Br)cc(C)c2Br)s1 2229302231 VILHIJVVEWAJAS-CYBMUJFWSA-N 487.482 7.289 50 10 JKGE Fc1cc(Br)ccc1[C@@H](Cl)c1c(Br)cc(Cl)c(Cl)c1Cl 2232509523 CUFRFORSOQKGOR-LLVKDONJSA-N 481.801 7.639 50 10 JKGE Cc1sc([C@H](Br)c2ccc3c(c2Br)CCO3)c(Br)c1C 2238081371 FGWFTUAVSHMMSH-CQSZACIVSA-N 481.047 6.309 50 10 JKGE Cc1cccc2c1nc(CCl)n2-c1ccc(Br)cc1I 2240009719 DKGDPQGLKNTLDQ-UHFFFAOYSA-N 461.528 5.440 50 10 JKGE CCc1cc([C@H](Br)c2cc(Cl)cc(Br)c2)sc1Br 2256056960 RJWAWPIXCJZOJD-GFCCVEGCSA-N 473.455 6.973 50 10 JKGE COc1ccc([C@H](Cl)c2cc(C)sc2Br)cc1I 2257354709 MNTPYOSWGBZEKK-LBPRGKRZSA-N 457.558 5.760 50 10 JKGE Cc1cc(Br)c([C@@H](Br)c2nn(C)cc2Br)c(C)c1F 2264493131 OOYDXHHLUUPBHC-LLVKDONJSA-N 454.963 5.185 50 10 JKGE COc1ccc([C@H](Cl)c2cccc(C)c2Br)cc1I 2269538631 BPJDFIAZEKFDET-HNNXBMFYSA-N 451.529 5.699 50 10 JKGE C[C@@H]1Cc2cc([C@H](Br)c3cocc3Br)cc(Br)c2O1 2270465572 RGSDAHRSCIVUJG-UHLUBPPHSA-N 450.952 5.612 50 10 JKGE COc1cc(OC)c([C@@H](Br)c2sccc2Br)cc1Br 2278037745 CGHRAOKBBRCRPR-GFCCVEGCSA-N 471.008 5.775 50 10 JKGE COc1cc(F)c([C@@H](Br)c2c(F)cccc2I)c(F)c1 2282894729 QSCYJSSJRNKGJQ-CQSZACIVSA-N 457.027 5.201 50 10 JKGE COc1cc(C)c(Br)c(C)c1[C@@H](Br)c1scc(C)c1Br 2285065506 OEDUZVUHXUKQCB-CQSZACIVSA-N 483.063 6.691 50 10 JKGE Cc1ccc(C)c(NC(=O)C(C#N)=Cc2ccc(OCc3ccc(Cl)cc3)c(Br)c2)c1 2295459799 ZKDZMRGXDOXCAO-UHFFFAOYSA-N 495.804 6.844 50 10 JKGE COc1ccc(-c2csc(C(C#N)=CNc3ccccc3OC(F)(F)[C@@H](F)Cl)n2)cc1OC 2295934427 WFOKUJZDEADHCB-OAQYLSRUSA-N 495.910 6.310 50 10 JKGE CCOC(=O)c1c(-c2ccc(C)cc2)csc1NC(=O)C(C#N)=Cc1cc(OC)ccc1O 2296833324 XBKXXHMMKMIBFU-UHFFFAOYSA-N 462.527 5.160 50 10 JKGE COc1ccc(C=C2CCC[C@@H]3C2=NN(C(=O)C(C#N)=Cc2ccco2)[C@H]3c2ccc(OC)cc2)cc1 2297021078 DHWUBFOYUAUVOK-PXJZQJOASA-N 493.563 6.027 50 10 JKGE Cc1cc(C=C(C#N)C(=O)OCc2nc(O)c3c4c(sc3n2)CCCC4)c(C)n1CC(C)C 2297393023 BFULHHANNIWOOY-UHFFFAOYSA-N 464.591 5.000 50 10 JKGE CC(=O)Oc1c(Br)cc(C=C(C#N)C(=O)Nc2c(C)cccc2C)cc1Br 2297551538 QBPIXFFPTXECFY-UHFFFAOYSA-N 492.167 5.299 50 10 JKGE Brc1ccc(OCc2ccccc2)c([C@H](Br)C[C@H]2CC[C@@H]3C[C@@H]32)c1 2299531490 WNGKYMSEXDDVNQ-ZTRFORPCSA-N 450.214 6.900 50 10 JKGE FC1(F)CCC[C@@H]1C[C@H](Br)c1sc(Cl)cc1I 2300957065 JKDUTUCBYBGYRX-RQJHMYQMSA-N 455.533 6.268 50 10 JKGE CCOc1cc(C=C(C#N)C(=O)Nc2ccc(F)cc2)ccc1OCc1cccc2ccccc12 2313540527 GEICUXBUTVUBRC-UHFFFAOYSA-N 466.512 6.502 50 10 JKGE C[C@@H](C[C@H](Br)c1cc(Br)ccc1OCc1ccccc1)CC(C)(C)C 2314492333 WJWCZAWZKJMHJW-JXFKEZNVSA-N 468.273 7.927 50 10 JKGE COC1(C[C@@H](Br)c2ccc(OCc3ccccc3)cc2Br)CCCC1 2314500521 OFFVYKDGQGWCBJ-HXUWFJFHSA-N 468.229 6.813 50 10 JKGE Brc1ccc(OCc2ccccc2)c([C@@H](Br)[C@H]2CCCC23CCC3)c1 2314502336 HWSIIMQSUVFNMO-TZIWHRDSSA-N 464.241 7.435 50 10 JKGE CCOC(=O)c1c(NC(=O)C(C#N)=Cc2ccc(OC)c(OCC)c2)sc2c1CC[C@@H](CC)C2 2314571665 JVLYNGRUWKLINP-MRXNPFEDSA-N 482.602 5.393 50 10 JKGE CCOc1ccc(N2C(=O)[C@@H](Cc3ccc(CC)cc3)SC2=C(C#N)C(=O)Nc2ccccc2)cc1 2314592325 QXMOFKVLGDBWSC-AREMUKBSSA-N 497.620 5.713 50 10 JKGE CCc1ccc(N2C(=O)[C@H](Cc3ccc(C(C)C)cc3)SC2=C(C#N)C(=O)Nc2ccccc2)cc1 2314593507 OFLFIVCCSIWGCQ-MHZLTWQESA-N 495.648 6.437 50 10 JKGE C[C@@H]1C[C@@H]1CC[C@@H](Br)c1c(Cl)cc(Br)c(F)c1Br 2315445736 AEWHVAPMVDAKJY-GJMOJQLCSA-N 463.410 6.876 50 10 JKGE Cn1nc(Br)c(Br)c1[C@@H](Cl)c1ccc(F)c(Br)c1 2316726480 VEDRRUOIPYWLRT-VIFPVBQESA-N 461.354 5.175 50 10 JKGE Brc1cc([C@@H](Br)[C@H]2C[C@H]3CCC[C@H]2CC3)c(Br)s1 2316745032 UJBYCVOIGVHIGT-YVNDNENWSA-N 457.069 6.926 50 10 JKGE C[C@@H]1CCc2[nH]c3ccc(C(=O)NN=Cc4ccc(OC(=O)c5cccs5)cc4)cc3c2C1 2323168560 ISJGVFFKAOPLIV-MRXNPFEDSA-N 457.555 5.337 50 10 JKGE N#CC(=Cc1ccc(OCCCc2ccccc2)cc1)c1nc(-c2ccc(Cl)cc2)cs1 2323831623 LSSLELNIRBKLLS-UHFFFAOYSA-N 456.998 7.539 50 10 JKGE CCn1c(C(C#N)=Cc2cc(OC)c(OCc3ccccc3)c([N+](=O)[O-])c2)nc2ccccc21 2323839089 GUNAPRFQMBXMBU-UHFFFAOYSA-N 454.486 5.616 50 10 JKGE COc1ccc(C=C(C#N)c2nc3cc(C)ccc3n2C)cc1OCc1ccc(Cl)c(Cl)c1 2331018621 XOVLAAMTABGBEY-UHFFFAOYSA-N 478.379 6.840 50 10 JKGE COc1ccc(Cl)cc1N1C[C@@H](C(O)=C(C#N)c2nc(-c3cccc([N+](=O)[O-])c3)cs2)CC1=O 2331232913 YDUUBSLILLTKQQ-AWEZNQCLSA-N 496.932 5.226 50 10 JKGE CCCOc1ccc(-c2csc(C(C#N)=C(O)c3ccc(N(C)C)c([N+](=O)[O-])c3)n2)cc1 2331318740 WRIHASDXJXMLEG-UHFFFAOYSA-N 450.520 5.523 50 10 JKGE COc1ccc(C=C(C(O)=C(C#N)c2nc(-c3ccc(F)c(C)c3)cs2)c2ccccc2)cc1OC 2331320446 OKPTTWRHMZWXJS-UHFFFAOYSA-N 498.579 7.308 50 10 JKGE COc1ccc(Cl)cc1N1C[C@H](C(O)=C(C#N)c2nc(-c3ccc4c(c3)OCO4)cs2)CC1=O 2331335787 NHZLINSBBJFIJV-CQSZACIVSA-N 495.944 5.047 50 10 JKGE Fc1ccc(C[C@H](Br)c2cc(Br)ccc2OCc2ccccc2)cc1F 2336047369 LJWOINZCXYMJGG-SFHVURJKSA-N 482.162 6.985 50 10 JKGE COc1ccc(C)cc1[C@H](Br)c1ccc(OCc2ccccc2)cc1Br 2336050679 MFLUXUIXFIDCFC-JOCHJYFZSA-N 476.208 6.829 50 10 JKGE Fc1c(Br)cc(Cl)c([C@@H](Br)[C@@H]2[C@H]3C[C@@H]4[C@H]2[C@@H]4C3)c1Br 2337106114 FFBCCWCTJAHZCO-QRUDSGOFSA-N 473.405 6.342 50 10 JKGE ClC[C@@]1(Cc2ccc(I)c(Br)c2)CCCCC12CC2 2349842779 ZMFAIEKQJUILGT-INIZCTEOSA-N 453.589 6.176 50 10 JKGE Clc1ccc(I)cc1CN1CCC[C@@H](CCCBr)C1 2352431794 LKZIAFNYKPGOGL-GFCCVEGCSA-N 456.593 5.332 50 10 JKGE Fc1cc(Br)c(F)c(Br)c1[C@@H](Br)[C@H]1O[C@H]2CC[C@H]1C2 2352538146 DMQXOTXYCVBLSX-MBAAGQAKSA-N 460.938 5.493 50 10 JKGE Cc1ccc(Br)cc1[C@@H](Cl)c1c(F)cc(Cl)c(Br)c1Cl 2360428592 HLJZSBBXLBBCPX-CYBMUJFWSA-N 461.383 7.294 50 10 JKGE Fc1ccc([C@H](Cl)c2c(F)cc(Cl)c(Br)c2Cl)c(Br)c1 2360492480 HPMFANGVFAAGBX-LBPRGKRZSA-N 465.346 7.125 50 10 JKGE CCn1nc(C)c(CBr)c1Oc1cc(Cl)c(C)cc1I 2361704586 SZEDSCHDEAVGGU-UHFFFAOYSA-N 469.548 5.465 50 10 JKGE Fc1c(Br)cc(Cl)c([C@H](Br)[C@@H]2CC[C@@H]3[C@H]2C3(F)F)c1Br 2362227585 HBSQKRBQVKJQOW-PENBWZAVSA-N 497.374 6.731 50 10 JKGE Clc1ccc(CN2[C@@H](CBr)C[C@H]3CCCC[C@H]32)cc1I 2362369496 YDUKGAZTEFZJDW-XJKCOSOUSA-N 468.604 5.473 50 10 JKGE Fc1ccc([C@@H](Br)c2sc(Cl)cc2I)c2ccccc12 2363882699 VGGNDLSDRFCWGV-CQSZACIVSA-N 481.555 6.783 50 10 JKGE Cc1cc(Br)c(F)c(Br)c1[C@H](Cl)c1c(C)nn(C)c1Br 2365232481 QKLDUIGAXQHHLX-NSHDSACASA-N 489.408 5.792 50 10 JKGE COc1ccc(OC)c([C@H](Br)c2ccc(Cl)cc2I)c1 2365596265 SQIHOMIWAXEXLV-OAHLLOKOSA-N 467.528 5.446 50 10 JKGE Clc1ccc(CC[C@@H](Br)CN2CCCCCC2)c(I)c1 2366722304 CDBJLGBTARQSTI-CQSZACIVSA-N 470.620 5.517 50 10 JKGE O=C(N[C@@H](CCCl)COCc1ccccc1)c1cc(Br)cc(C(F)(F)F)c1 2369680006 ABONYIXBGHWCPV-KRWDZBQOSA-N 464.709 5.412 50 10 JKGE CC(C)(C)OC(=O)N1CCC(CBr)(OCC2CCC(C(F)(F)F)CC2)CC1 2381557475 DWZWWGBTXFJWJM-UHFFFAOYSA-N 458.359 5.536 50 10 JKGE N#CC(C(=O)Nc1ccc(F)cc1)=C(SCc1ccccc1F)SCc1ccccc1F 3059099 JFWZVUZXVMGQLE-UHFFFAOYSA-N 470.541 6.644 50 10 JKGE CC(C)c1ccc(OCC(=O)N/N=C/c2cc(Cl)cc(Cl)c2O)c(Br)c1 12579952 DGOKTDIUHACWJF-GZIVZEMBSA-N 460.155 5.114 50 10 JKGE N#C/C(=C/c1cn(-c2ccccc2)nc1-c1ccc2c(c1)OCCO2)c1nc2ccccc2s1 15226407 CKWQFAOHJUEEDM-RGEXLXHISA-N 462.534 5.984 50 10 JKGE Cc1ccc(N2C(=O)[C@H](Cc3ccccc3)S/C2=C(\C#N)C(=O)Nc2ccc(Cl)cc2)cc1 16739805 UHILWYMWFDSVEH-GPSDDGMOSA-N 473.985 5.713 50 10 JKGE CCOC(=O)c1c(-c2ccc(F)cc2)csc1NC(=O)/C(C#N)=C\c1ccc(N(C)C)cc1 33414244 LCUVDPZYKFXRLV-AQTBWJFISA-N 463.534 5.343 50 10 JKGE COc1cc(/C=C(/C#N)C(=O)NCc2ccco2)ccc1OC(=O)c1ccc(Cl)c(Cl)c1 33748307 HNMCZOXHAXCTEP-SXGWCWSVSA-N 471.296 5.038 50 10 JKGE COc1ccc(-c2nn(-c3ccccc3)cc2/C=C(/C#N)c2nc3ccccc3s2)cc1F 34387565 RNGDJSCCQGXLLD-AQTBWJFISA-N 452.514 6.361 50 10 JKGE CC(C)c1ccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)COc4ccc(Cl)cc4)ccc32)cc1 38649399 CNERHBFOCNQDPC-AREMUKBSSA-N 474.944 5.666 50 10 JKGE CCOc1ccccc1[C@H]1C(C#N)=C(N)Oc2cc(OC(=O)[C@@H](C)Oc3ccc(C(C)C)cc3)ccc21 38650559 LLIYSTWWBAJWPG-WHLCRQNOSA-N 498.579 5.800 50 10 JKGE CCCCOc1cccc(C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@H]3c2ccc(SC)cc2)c1 38682529 JARFDDDVBAKPIS-SANMLTNESA-N 486.593 6.025 50 10 JKGE Cc1ccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4oc5c(C)c(C)ccc5c4C)ccc32)o1 38688696 UYQAVEKILHTUDJ-QHCPKHFHSA-N 454.482 5.697 50 10 JKGE CCCCc1ccc(Nc2ncnc(NNC(=O)C(c3ccccc3)c3ccccc3)c2[N+](=O)[O-])cc1 40581316 CUJFYDMXYICQDO-UHFFFAOYSA-N 496.571 5.746 50 10 JKGE CCCOc1ccc(/C=C(\C#N)C(=O)Oc2ccc(C(=O)Nc3cc(C)ccc3C)cc2)cc1 40882630 YUVNMQASIWEAIM-HAVVHWLPSA-N 454.526 5.857 50 10 JKGE O=C(CSc1nnc(-c2ccccc2)s1)N/N=C/c1ccc(OCCc2ccccc2)cc1 40947790 LFPPBXWTCXVJBO-YZSQISJMSA-N 474.611 5.069 50 10 JKGE CCOC(=O)/C(C#N)=C\c1cc(Cl)c(OCCOc2ccc(C3CCCCC3)cc2)c(OC)c1 96472712 QBGGLEXGTUEPOO-JCMHNJIXSA-N 483.992 6.324 50 10 JKGE Cc1ccc(C[C@H]2S/C(=C(\C#N)C(=O)N3CCCCC3)N(c3ccccc3)C2=O)cc1Cl 102973457 VLEBRRDSDYAMAF-IQQNDYETSA-N 466.006 5.087 50 10 JKGE Cc1ccc(NC(=O)/C(C#N)=C\c2c(Oc3cccc(C)c3C)nc3c(C)cccn3c2=O)cc1 102990888 LBYIFURSARXLHO-QNGOZBTKSA-N 464.525 5.266 50 10 JKGE CCCCCCCCCCCCCCCCCC(=O)N/N=C/c1cc2ccccc2nc1Cl 105050715 VOIMATSCCYCQBN-JJKYIXSRSA-N 472.117 8.600 50 10 JKGE CCC(CC)(CBr)COc1cc(Br)c(OC)cc1Br 118642153 PUHAYUCMIPQOPK-UHFFFAOYSA-N 459.016 5.800 50 10 JKGE Cc1cc([C@H](Br)c2ccc(Br)c3ccccc23)sc1Br 123438544 PWKIXOKEHUDNBV-OAHLLOKOSA-N 475.043 7.219 50 10 JKGE COc1ccc([C@H](Br)c2cc(Cl)c(Br)s2)c(OC)c1OC 128146558 SDESPRGTWSISDI-NSHDSACASA-N 456.583 5.674 50 10 JKGE Fc1ccc(C(F)(F)F)cc1[C@@H](Br)c1cc(Br)c(Br)s1 128289380 HZMFFZKADNWCGX-SNVBAGLBSA-N 496.943 6.915 50 10 JKGE Cc1sc(Br)cc1[C@H](Br)c1ccc(Br)c(Cl)c1 148983554 JEFURJSVLKUTSY-GFCCVEGCSA-N 459.428 6.719 50 10 JKGE CCC(C)(C)c1ccc(OCCCC(=O)Oc2ccc(/C=C(/C#N)C(=O)NC(C)C)cc2OC)cc1 207297731 GQYIBGZCEXMTDV-XLNRJJMWSA-N 492.616 5.579 50 10 JKGE Cc1ccc2nc(-c3ccc(N/C=C(/C#N)C(=O)N[C@@H](C)C45CC6CC(CC(C6)C4)C5)cc3)sc2c1 217053594 XLVOKXSDACWXGH-SCNKUEPCSA-N 496.680 6.812 50 10 JKGE Cl[C@@H](c1ccccc1)c1nnc(-c2cc(Br)sc2Br)s1 236036090 OIOCFYQBGCHWAY-JTQLQIEISA-N 450.608 6.120 50 10 JKGE C/C(C=NNC(=O)COc1c(C(C)C)cc(Br)c(C)c1Br)=C/c1ccco1 252628966 TVSWZFUCMYTVRT-USGMTKOHSA-N 498.215 5.821 50 10 JKGE CC(=NNC(=O)CSc1nnc(-c2ccc(C)cc2)n1C1CCCCC1)c1cccc(O)c1 254504995 MEZYDZONSKMDGN-UHFFFAOYSA-N 463.607 5.097 50 10 JKGE O=C(NN=Cc1ccc(OC(=O)c2cccs2)cc1)c1ccc(OCc2ccccc2)cc1 254790856 HMMCIXHYTOLGSU-UHFFFAOYSA-N 456.523 5.310 50 10 JKGE BrCc1c(I)ccc2scc(I)c12 307107910 LLLCRQRNFCHICO-UHFFFAOYSA-N 478.918 5.005 50 10 JKGE BrCc1cc2ccc(I)c(I)c2s1 307441185 ZAZVAFBDDFFHIG-UHFFFAOYSA-N 478.918 5.005 50 10 JKGE CO[C@@H](CC(CBr)(CBr)c1cccc(Br)c1)C(C)C 311592644 AAKBVSFQAOJSFA-AWEZNQCLSA-N 457.044 5.538 50 10 JKGE C[C@H](Cl)c1nc2cc(I)c(F)cc2n1[C@@H]1CCN(Cc2ccccc2)[C@H]1C 312566477 YWPMLCTYZPBBMK-CKFHNAJUSA-N 497.783 5.915 50 10 JKGE Fc1cc([C@H](Br)c2scc(C(F)(F)F)c2Br)ccc1Br 312784244 GIHFRIUFWYGTQO-VIFPVBQESA-N 496.943 6.915 50 10 JKGE Clc1cccc(C(CBr)(CBr)Cc2coc(Br)c2)c1 378962498 ZILLUYLSPMDYOJ-UHFFFAOYSA-N 471.414 5.966 50 10 JKGE Cc1cc([C@@H](Br)c2ccc(OCc3ccccc3)cc2)sc1Br 381980414 MOJDYZBNFSUUFE-SFHVURJKSA-N 452.211 6.882 50 10 JKGE COc1ccc(Br)cc1Oc1cc(Br)ccc1CBr 700799127 UINXJFICIFRWOT-UHFFFAOYSA-N 450.952 5.907 50 10 JKGE Fc1ccc(Oc2ccc(Br)cc2Br)c(CBr)c1Cl 705717387 TUKFNUSFISYGTO-UHFFFAOYSA-N 473.361 6.691 50 10 JKGE Cc1cc(Br)c([C@H](Br)c2csc(C(F)(F)F)c2)cc1Br 718728813 FPUDTVBZZZHALM-GFCCVEGCSA-N 492.980 7.085 50 10 JKGE Cc1cccc(C=NNC(=O)CSc2c(Cl)c(Cl)c(Cl)c(Cl)c2Cl)n1 1084071573 NMCDQWKPSDENQO-UHFFFAOYSA-N 457.597 5.899 50 10 JKGE CCOc1cc(C=NNC(=O)c2cc(-c3ccc(Br)cc3)nc3ccccc23)ccc1O 1772719815 YXEBKJINUWCLGE-UHFFFAOYSA-N 490.357 5.533 50 10 JKGE Cc1occc1C(=O)NN=C1CCCc2oc(C(=O)Nc3cc(C(F)(F)F)ccc3Cl)c(C)c21 1772749291 KQEJGVXIXFVLKV-UHFFFAOYSA-N 493.869 5.884 50 10 JKGE CCc1cccc(OCC(=O)NN=Cc2cc(Br)ccc2OCc2ccccc2)c1 1772753443 HFDMCQWMRUKBOS-UHFFFAOYSA-N 467.363 5.120 50 10 JKGE CC(C)(C)c1ccc(OCCOc2cccnc2NC(=O)Oc2ccc([N+](=O)[O-])cc2)cc1 1858692344 HTTIDVWJCGEUML-UHFFFAOYSA-N 451.479 5.356 50 10 JKGE CCN1CCc2nc3c(Br)cccc3c(C(=O)Nc3ccc(SC#N)cc3)c2C1 1859617820 KWMNIEGRFWQELF-UHFFFAOYSA-N 467.392 5.201 50 10 JKGE O=C(N/N=C1\C(=O)N(Cc2ccccc2Cl)c2ccccc21)c1cc(Cl)cc(Cl)c1 1860822811 OPNPZOBZEHTXMG-QOMWVZHYSA-N 458.732 5.328 50 10 JKGE COc1ccc(-c2nn(Cc3cccc(Cl)c3)c3c2[C@H](c2cccc(O)c2)C(C#N)=C(N)O3)cc1 1865681736 VIMRKPPJLZACOR-HSZRJFAPSA-N 484.943 5.184 50 10 JKGE CCCCCOc1ccc([C@@H]2C(C#N)=C(N)Oc3c2c(CCC)nn3-c2ccccn2)cc1OCC 1865691634 XARWPDDZOVXVKK-RUZDIDTESA-N 487.604 5.406 50 10 JKGE CCCOc1cccc([C@@H]2C(C#N)=C(N)Oc3c2c(CC)nn3Cc2c(F)cccc2Cl)c1 1865692925 GRIFZJJFXJAMPG-JOCHJYFZSA-N 466.944 5.293 50 10 JKGE CCc1nn(CC(C)C)c2c1[C@H](c1ccc(OCc3ccc(Cl)cc3)cc1)C(C#N)=C(N)O2 1865695184 MCCDWTDIIFBCQG-HSZRJFAPSA-N 462.981 5.552 50 10 JKGE Cc1nn(CC(C)C)c2c1[C@H](c1ccc(OCc3ccc(Cl)cc3Cl)cc1)C(C#N)=C(N)O2 1865701620 ZTVDGRMDANCVMX-HSZRJFAPSA-N 483.399 5.952 50 10 JKGE CCc1nn(-c2ccccn2)c2c1[C@H](c1c(OCc3ccccc3)ccc3ccccc13)C(C#N)=C(N)O2 1865704469 WMMFXPMLNBVFHI-NDEPHWFRSA-N 499.574 5.780 50 10 JKGE COc1ccc(-c2nn(-c3ccccc3)c3c2[C@@H](c2ccccc2OC(C)C)C(C#N)=C(N)O3)cc1 1865705609 ZZIHBGVYBJYPBF-VWLOTQADSA-N 478.552 5.553 50 10 JKGE CCc1nn(-c2ccccc2Cl)c2c1[C@H](c1cccc(OCc3ccccc3)c1)C(C#N)=C(N)O2 1865712354 WIPUJYBVCXBVQI-RUZDIDTESA-N 482.971 5.885 50 10 JKGE COc1ccc(-c2nn(Cc3ccc(Cl)cc3)c3c2[C@@H](c2ccccc2C)C(C#N)=C(N)O3)cc1 1865712626 DCFKDDPLGFGUFV-DEOSSOPVSA-N 482.971 5.787 50 10 JKGE Cc1ccc2c(c1)CCN(c1cc(Nc3ccc(SC#N)cc3)nc(C(C)C)n1)[C@@H]2CC(C)C 1868231523 JMCVMMVEEQNPSO-RUZDIDTESA-N 471.674 7.375 50 10 JKGE CC1(C)COCCN1c1cc(Nc2ccc(SC#N)cc2)nc(-c2ccccc2Cl)n1 1868413872 DSTWXBCPDDRVIQ-UHFFFAOYSA-N 451.983 5.729 50 10 JKGE COc1cccc(-c2csc(/C(C#N)=C(O)/C=C/c3ccc(OCc4ccccc4)cc3)n2)c1 1872744360 OJHFOXLMTFAQMY-PKFABPEVSA-N 466.562 6.904 50 10 JKGE COc1ccccc1-c1csc(/C(C#N)=C(\O)c2ccc3c(c2)C(=O)N(Cc2ccccc2)C3=O)n1 1872747098 NIMNYLCUQIVRRS-LVWGJNHUSA-N 493.544 5.565 50 10 JKGE COc1c(Cl)cc(-c2csc(/C(C#N)=C(\O)CNC(=O)c3ccc(Cl)cc3)n2)cc1Cl 1872755845 IZLJWGLTPKYRNZ-JXAWBTAJSA-N 494.787 6.002 50 10 JKGE COc1ccc(-c2csc(/C(C#N)=C(\O)c3ccc(-n4cccc4)cc3)n2)c(OC)c1OC 1872759724 XRACLNZZHCLSPJ-QOCHGBHMSA-N 459.527 5.576 50 10 JKGE CCCOc1ccc(-c2csc(/C(C#N)=C/c3cccc(OC)c3OCC)n2)cc1OCCC 1872790098 KZVCZNLZKJEBSL-RCCKNPSSSA-N 478.614 6.859 50 10 JKGE CCOc1ccc(/C=C(\C#N)c2nc(-c3ccc(OC)c4ccccc34)cs2)cc1OCC 1872794857 AFYGATCFPSPOTC-XMHGGMMESA-N 456.567 6.833 50 10 JKGE Cc1cc([C@@H](Cl)c2sc(Cl)cc2I)oc1Br 1900921044 YJQSIQZFQKEJDU-MRVPVSSYSA-N 451.938 5.998 50 10 JKGE BrCc1csc(Oc2cc(Br)cc(I)c2)n1 1901016974 UFDZZRUDYDWGJF-UHFFFAOYSA-N 474.943 5.197 50 10 JKGE Cc1nsc(Br)c1[C@@H](Br)c1csc2c(Br)cccc12 1912973980 ACCUNTHUFWZHPH-NSHDSACASA-N 482.060 6.676 50 10 JKGE CN(C[C@@H](Cl)COCc1ccccc1)C(=O)c1ccc(Br)cc1Br 1916353104 DGZDSXYBEHUMOE-OAHLLOKOSA-N 475.608 5.108 50 10 JKGE Fc1ccc([C@@H](Cl)c2sc(Br)cc2Br)cc1C(F)(F)F 1922880613 HPICJVTYVMQHJC-SNVBAGLBSA-N 452.492 6.759 50 10 JKGE Brc1cc(Br)c([C@H](Br)[C@@H]2Cc3ccccc3O2)s1 1922942524 RYBDOGHIKSSIRA-CMPLNLGQSA-N 452.993 5.713 50 10 JKGE Cc1c(Br)sc([C@@H](Br)c2cccc(F)c2F)c1Br 1922954071 KNJTXEARWJGCJY-VIFPVBQESA-N 460.963 6.344 50 10 JKGE Cc1cccc(Br)c1[C@H](Cl)c1c(Br)sc(Br)c1Cl 1923037715 FFZXIESNRHEHHB-VIFPVBQESA-N 493.873 7.326 50 10 JKGE C[C@@H](c1ccncc1Br)[C@@H](Cl)c1cc(Br)cc(Br)c1 1924042992 HAKLAKUEZGCNMH-RMLUDKJBSA-N 468.414 6.453 50 10 JKGE C[C@@H]1COCC[C@@H]1[C@@H](Cl)c1c(Br)sc(Br)c1Br 1924582741 AABQPAPXDROWOG-QIOHGKGESA-N 467.448 5.988 50 10 JKGE CC1([C@H](Br)c2c(Br)sc(Br)c2Br)CCC1 1924611621 CWKILMVMWSYZMC-SSDOTTSWSA-N 481.873 6.662 50 10 JKGE C[C@@H]1CCN(Cc2ccccc2)CCN1c1ccc(CBr)c(Br)c1 1947751381 IAMMCIXQFANJLB-MRXNPFEDSA-N 452.234 5.445 50 10 JKGE CCCOC1([C@H](Br)c2c(Br)sc(Br)c2Cl)CC1 2001716750 AHCPCBQJUFWXDZ-MRVPVSSYSA-N 467.448 6.322 50 10 JKGE Cl[C@H](c1c(Br)sc(Br)c1Br)[C@@H]1[C@@H]2CCCO[C@H]21 2007594897 XCJVAFOMCAXZDO-YSPBZLIWSA-N 465.432 5.741 50 10 JKGE FC(F)c1ccc([C@@H](Br)c2cc(Br)sc2Br)cc1 2052508372 YBULSMQHVRCSIK-SNVBAGLBSA-N 460.963 6.695 50 10 JKGE CCN1C=CC=CC1=CC=C1C=CC(=N[P+](c2ccccc2)(c2ccccc2)c2ccccc2)C=C1 2052963810 AZKQSWYZVAAKPN-UHFFFAOYSA-N 485.591 6.678 50 10 JKGE Cn1cnc2sc([C@@H](Br)c3cc(Br)sc3Br)cc21 2054805226 KBGKSSJNPDTRTL-VIFPVBQESA-N 471.037 5.706 50 10 JKGE CC(C)(C)[Si](C)(C)O/N=C\[C@H](OCc1ccccc1)[C@@H](F)[C@H](O)COCc1ccccc1 2065316074 BZSNTOZTTTVHAK-APFYNYCISA-N 461.650 5.495 50 10 JKGE Cc1c(Br)ccc([C@H](Br)[C@@H]2C[C@H]2C(F)(F)F)c1Br 2083331534 ADVKDQGSCUGKRA-XLDPMVHQSA-N 450.918 6.154 50 10 JKGE N#CC(=Cc1ccccc1)C(=O)N1CC[C@@H](c2ccc(F)cc2)[C@H](COc2ccc3c(c2)OCO3)C1 2085405235 KDEKSZQMVPOIOG-OZXSUGGESA-N 484.527 5.173 50 10 JKGE CC(C)(CC(CBr)(CBr)c1ccc(Br)cc1)C(F)F 2089066049 ZWZHMRNUIHDYST-UHFFFAOYSA-N 462.998 6.158 50 10 JKGE Cc1cc(Cl)c([C@@H](Br)c2cccc(Br)c2Br)cc1C 2092328596 NCBFYLOJXVWIFY-AWEZNQCLSA-N 467.426 6.966 50 10 JKGE ClCCc1nc2cc(Br)c(Cl)cc2n1[C@H]1CC[C@H]1OCc1ccccc1 2103807993 QOPQVZNJCUGDLH-PKOBYXMFSA-N 454.195 6.154 50 10 JKGE Fc1cccc(CC[C@@H](Br)c2ccccc2Br)c1Br 2113445489 WONSXIXATHUHHD-CYBMUJFWSA-N 450.971 6.420 50 10 JKGE CN(Cc1cc(Br)ccc1Br)[C@@H]1CCCCC[C@@H]1Br 2118520894 YXNSIXIRHWWYCG-LSDHHAIUSA-N 454.044 5.740 50 10 JKGE COCC1(C[C@H](Br)c2c(C)c(Br)cc(C)c2Br)CC1 2136366613 JVBOLPZMJIIKFO-LBPRGKRZSA-N 455.028 6.081 50 10 JKGE Cc1cc(Br)c(C)c([C@@H](Br)C[C@H]2C[C@H]3C[C@H]3C2)c1Br 2136371282 NHBOPNNTACSEOA-FMSGJZPZSA-N 451.040 6.701 50 10 JKGE Cc1c(Br)ccc([C@H](Cl)c2cc(Cl)cc(Br)c2)c1Br 2138868074 ZLNGMLJPFOLYEN-CQSZACIVSA-N 487.844 7.264 50 10 JKGE FC1(F)CCC(CBr)(Cc2ccc(I)c(Cl)c2)CC1 2142957498 MYAOSLVWSWPOET-UHFFFAOYSA-N 463.531 6.078 50 10 JKGE CCCCCCCCCC[C@H](Br)c1sc(Br)c(C)c1Br 2164487576 NRYHUUVIXRQSRT-ZDUSSCGKSA-N 489.155 8.548 50 10 JKGE COc1cc(Br)c(C)cc1[C@@H](Br)c1nn(C)c(Cl)c1Br 2167044497 XQKVGIXKPUEQRV-SNVBAGLBSA-N 487.417 5.400 50 10 JKGE Cc1c(Cl)cc(CC[C@H](Br)c2cccc(Br)c2)cc1Br 2169756918 CAPCCQBVRZFFJJ-AWEZNQCLSA-N 481.453 7.242 50 10 JKGE COc1cc2c(cc1Br)nc([C@@H](C)Cl)n2C[C@@H](C)COCc1ccccc1 2202312271 RDNALZZTYHJTPX-HUUCEWRRSA-N 451.792 5.960 50 10 JKGE COc1c(Cl)cc(Br)cc1[C@@H](Cl)c1ccc(Cl)c(Br)c1 2202999135 PVLOWEPMVIQNMQ-ZDUSSCGKSA-N 459.392 6.855 50 10 JKGE Cc1c(Br)ccc([C@H](Br)[C@]23CCCC[C@H]2OCC3)c1Br 2203691974 LEFJDFGTAROKJN-KBMXLJTQSA-N 467.039 6.305 50 10 JKGE Cc1sc(C(=O)N(Cc2ccccc2)[C@H](CBr)C2CC2)cc1Br 2210614762 UFUTTWDNTGAGAS-MRXNPFEDSA-N 457.231 5.635 50 10 JKGE Clc1ccc([C@H](Br)c2c(Br)cc(Cl)c(Cl)c2Cl)o1 2217618410 OSGWHYNBFDWLAW-VIFPVBQESA-N 453.772 7.140 50 10 JKGE C[C@@H](Cl)c1nc2cc(Br)c(Br)cc2n1[C@H](C)COCc1ccccc1 2218654809 JDRCEORSQDXWAT-CHWSQXEVSA-N 486.635 6.639 50 10 JKGE Cc1ccc([C@@H](Cl)[C@H](C)c2ccncc2Br)cc1I 2224618302 HPTNEBLSLYSBAS-BMIGLBTASA-N 450.545 5.841 50 10 JKGE COc1cc(C)c([C@@H](Br)c2cc(Br)c(C)s2)cc1Br 2226089128 NLXQGJTVFOHRSL-CQSZACIVSA-N 469.036 6.383 50 10 JKGE Fc1ccc(Cl)c(F)c1[C@@H](Br)c1c(Cl)sc(Br)c1Cl 2226586460 QIACVVNOBNZSDE-SSDOTTSWSA-N 471.375 7.233 50 10 JKGE Cc1cc(Br)c([C@H](Cl)c2scc(Cl)c2Cl)c(C)c1Br 2227347676 JMTXEHZQDAECCQ-LBPRGKRZSA-N 463.449 7.525 50 10 JKGE COc1ccc([C@H](Br)c2cc(Br)c(Br)cc2F)c(Cl)c1 2233981755 MTWDPWPUTVFYNR-AWEZNQCLSA-N 487.388 6.497 50 10 JKGE Cc1sc([C@H](Br)c2ccc(Br)c3ccccc23)cc1Br 2234476711 ZGHZJEYARAPKSP-MRXNPFEDSA-N 475.043 7.219 50 10 JKGE Cc1cc(Br)c([C@H](Br)[C@H]2C[C@@H]2C2CCCC2)c(C)c1Br 2235611591 KWQOFUABVCMONL-IIYDPXPESA-N 465.067 7.091 50 10 JKGE COc1cc(Br)c([C@H](Cl)c2ccc(I)c(Cl)c2)cc1C 2236015646 XEZVCCMOVYOGRG-OAHLLOKOSA-N 485.974 6.352 50 10 JKGE Cc1sc(Br)cc1S(=O)(=O)Nc1ccc(Cl)cc1CBr 2239459283 RGXUHLZEXRMHDY-UHFFFAOYSA-N 459.612 5.168 50 10 JKGE CC(C)(C)OC(=O)N1CCC(CBr)(OCc2ccc(C(F)(F)F)cc2)CC1 2239610206 AGAWBRKXXCOGFY-UHFFFAOYSA-N 452.311 5.387 50 10 JKGE O=C(c1csc(Br)c1Br)N1C[C@H](Br)CC12CCCCC2 2241027072 QVCJSRNHRRGTOC-SECBINFHSA-N 486.067 5.585 50 10 JKGE COc1ccc([C@@H](Br)c2cc(Br)sn2)cc1I 2248888638 OSIGFUCBIPTCQN-LLVKDONJSA-N 488.970 5.003 50 10 JKGE Fc1cc(Br)c(F)c(Br)c1[C@H](Br)C1CC(Cl)C1 2250747389 LRNIMEGGZBMNBJ-PACJAATDSA-N 453.346 5.943 50 10 JKGE CCc1cc([C@@H](Br)c2c(C)cccc2Br)sc1Br 2255988436 KMUKTOXJKBLVRP-CYBMUJFWSA-N 453.037 6.628 50 10 JKGE CCc1cc([C@@H](Br)c2cc(F)ccc2Br)sc1Br 2255989149 QLRSMMDFJOWPHK-LBPRGKRZSA-N 457.000 6.459 50 10 JKGE COc1cc(Cl)c(Cl)cc1[C@H](Br)c1cc(Br)c(Cl)s1 2264372117 UCRMKWWZCWIPIH-NSHDSACASA-N 465.421 6.964 50 10 JKGE CCc1cc(Br)c([C@H](Br)c2cc(F)c(Br)cc2Cl)s1 2267750267 RYZMMEKOTCMWLF-GFCCVEGCSA-N 491.445 7.112 50 10 JKGE Fc1cc(Br)c(F)c(Br)c1[C@H](Br)[C@@H]1CC[C@@H]2C[C@@H]2C1 2272735820 WAZQGPMUIFLTQP-BMYQGPEFSA-N 458.966 6.362 50 10 JKGE Fc1cc(Br)c(F)c(Br)c1[C@H](Br)C12CCC(CC1)C2 2272738983 JOAFHPRCHSYOHZ-OFBKNLNESA-N 458.966 6.506 50 10 JKGE COc1cc(OC)c([C@@H](Br)c2cc(Br)sn2)cc1Br 2278015255 KHIXFPWOKLHRNO-GFCCVEGCSA-N 471.996 5.170 50 10 JKGE Fc1cc(Br)c(F)c(Br)c1[C@@H](Br)C12CCC(CC1)CC2 2288496473 HUMZLWCFZWPKGL-OOCCNLOMSA-N 472.993 6.896 50 10 JKGE Fc1cc(Br)ccc1C[C@H](Cl)c1cc2sc(Br)cc2s1 2295406637 OKEUXONPFLMQAQ-VIFPVBQESA-N 454.611 7.150 50 10 JKGE Cc1ccc(-c2nc(C(C#N)=Cc3ccc(Cl)cc3Cl)sc2NC(=O)c2ccco2)cc1 2296727681 XSUDYZSNZPURKN-UHFFFAOYSA-N 480.376 7.335 50 10 JKGE COc1ccc(NC(=O)C(C#N)=Cc2cn(CCOc3cc(C)ccc3C)c3ccccc23)cc1 2297506485 IKHSWMAHXQCXTF-UHFFFAOYSA-N 465.553 5.891 50 10 JKGE N#CC(=Cc1cc(Cl)ccc1OCc1ccc(Cl)cc1Cl)C(=O)Nc1ccccc1 2313541030 MCPJHJWEZJJXDU-UHFFFAOYSA-N 457.744 6.771 50 10 JKGE CCOc1cc(C=C(C#N)C(=O)Nc2ccc(C)cc2)cc(Cl)c1OCc1cccc([N+](=O)[O-])c1 2313568172 PASVNRMJWAAHEG-UHFFFAOYSA-N 491.931 6.080 50 10 JKGE C=CCc1cc(C=C(C#N)C(=O)Nc2ccc(C)cc2)cc(OC)c1OCc1ccc(F)cc1 2313568432 SEUPMBASDPVBLG-UHFFFAOYSA-N 456.517 5.996 50 10 JKGE COc1cc(C=C(C#N)C(=O)Nc2cc([N+](=O)[O-])ccc2Cl)ccc1OCc1ccc(F)cc1 2313724650 QNIDLZZDSNZQMY-UHFFFAOYSA-N 481.867 5.521 50 10 JKGE CC(F)(F)C1([C@@H](Br)c2cc(Br)ccc2OCc2ccccc2)CCC1 2314488074 DXGQFSWAUCFEDL-SFHVURJKSA-N 474.183 7.290 50 10 JKGE CC1(C)C(C)(C)C1(C)[C@H](Br)c1cc(Br)ccc1OCc1ccccc1 2314496743 DVKDAYKFAILJSI-LJQANCHMSA-N 466.257 7.536 50 10 JKGE N#CC(=Cc1ccc(OC(=O)C=Cc2ccccc2)cc1)c1nc(-c2ccc(Cl)cc2)cs1 2314548660 PICIYOICINFVPN-UHFFFAOYSA-N 468.965 7.146 50 10 JKGE CCC[C@H]1CC[C@H]([C@@H](Br)c2sc(Cl)cc2I)CC1 2316600346 DQOUJUKQTQDTNQ-GIPNMCIBSA-N 461.634 7.049 50 10 JKGE COc1ccc([C@H](Br)c2sc(Cl)cc2I)c(Cl)c1 2316777204 KVGJEMOVJWFQIZ-NSHDSACASA-N 477.976 6.152 50 10 JKGE Cc1c(Cl)sc(Cl)c1[C@H](Cl)c1c(Br)c(Br)nn1C 2316832998 UMGUWVAALSKYGN-LURJTMIESA-N 453.414 5.950 50 10 JKGE COc1ccc(C(C#N)=Cc2ccc(OC(=O)c3cccc(Br)c3)cc2)cc1OC 2320507360 SUKGMRIUQRHFHW-UHFFFAOYSA-N 464.315 5.750 50 10 JKGE CCOc1ccc(C=CC(O)=C(C#N)c2nc(-c3ccc4ccccc4c3)cs2)cc1OC 2331237803 GLUKAMIFDPFVCO-UHFFFAOYSA-N 454.551 6.877 50 10 JKGE N#CC(=C(O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1)c1nc(-c2ccc(Br)cc2)cs1 2331260120 MBVXGSMRHDZVDE-UHFFFAOYSA-N 473.264 5.339 50 10 JKGE CCCOc1ccc(-c2csc(C(C#N)=C(O)[C@@H]3CC(=O)N([C@H](C)c4ccccc4)C3)n2)cc1 2331318414 IWTQISBZRQEETD-WIYYLYMNSA-N 473.598 6.001 50 10 JKGE CCCCc1ccc(N2C[C@@H](C(O)=C(C#N)c3nc(-c4c[nH]c5ccccc45)cs3)CC2=O)cc1 2331346839 JXFHZMIMYOFVRD-IBGZPJMESA-N 482.609 6.480 50 10 JKGE CC(C)N1C(=O)c2ccc(C(O)=C(C#N)c3nc(-c4ccc(F)c(F)c4)cs3)cc2C1=O 2331351617 JLVWFYICMLNKFW-UHFFFAOYSA-N 451.454 5.043 50 10 JKGE COc1c(C)cc(C)cc1-c1csc(C(C#N)=C(O)C(c2ccccc2)c2ccccc2)n1 2331371910 QMORATPJEDXTSW-UHFFFAOYSA-N 452.579 7.060 50 10 JKGE COc1ccc(-c2csc(C(C#N)=C(O)CN3C(=O)COc4ccc(Cl)cc43)n2)cc1Cl 2331399401 HENVLGUNPWEPAN-UHFFFAOYSA-N 488.352 5.344 50 10 JKGE CCCCCOc1ccc(C=C(C#N)c2nc(-c3ccc(OCCC)c(OCCC)c3)cs2)cc1 2331437804 FXLMDYMZBJBNOB-UHFFFAOYSA-N 490.669 8.021 50 10 JKGE COc1ccc(OC)c(-c2csc(C(C#N)=Cc3cc(Br)c(O)c(OC)c3)n2)c1 2331450543 WQKDCXYETGPSMN-UHFFFAOYSA-N 473.348 5.368 50 10 JKGE COc1cc(C=C(C#N)c2nc(-c3ccc(C(C)C)cc3)cs2)cc(Br)c1OC(C)C 2331456549 BJYLNQGWVRPSIQ-UHFFFAOYSA-N 497.458 7.556 50 10 JKGE COc1cc(C=C(C#N)c2nc(-c3c[nH]c4ccccc34)cs2)cc(Br)c1OC(C)C 2331460028 HPRZWUFUEZSUDQ-UHFFFAOYSA-N 494.414 6.914 50 10 JKGE COc1ccc([C@H](Cl)c2ccc(OCc3ccccc3)cc2Br)c(Cl)c1 2336073676 YDVWECQAQDGTJY-OAQYLSRUSA-N 452.175 7.018 50 10 JKGE CC1(C)CC(C[C@H](Br)c2c(Cl)cc(Br)c(F)c2Br)C1 2337083523 ALMFCDMMLPBVQG-QMMMGPOBSA-N 477.437 7.266 50 10 JKGE CC[C@](C)(C(F)F)[C@H](Br)c1c(C)cc(Br)c(F)c1Br 2339658273 GNTYLECPUFTQOM-YPMHNXCESA-N 466.961 6.777 50 10 JKGE Cc1cc(Br)c(C)c([C@H](Br)[C@H]2C[C@@H]3O[C@H]2[C@H]2C[C@@H]32)c1Br 2357916894 LVLHSLCMUWTIJL-ZQVFWPKPSA-N 465.023 5.688 50 10 JKGE Fc1cc(Cl)c(Br)c(Cl)c1[C@H](Br)[C@H]1[C@@H]2[C@H]1CCC2(F)F 2360425108 ZJCZAHOJEKTTBK-DMCJXJHGSA-N 452.923 6.622 50 10 JKGE BrCc1cc(Br)c(OCc2snnc2C2CC2)c(Br)c1 2361137243 YCGAUCUBNBMCPE-UHFFFAOYSA-N 483.023 5.414 50 10 JKGE COc1c(C)cc(Br)c(C)c1[C@@H](Br)c1c(Br)ncn1C 2362494196 VHDWCSNSIPWQIH-LLVKDONJSA-N 466.999 5.055 50 10 JKGE Clc1ccc(CN2C[C@H]3CCCC[C@]3(CBr)C2)c(I)c1 2366716825 YZQVHRXEWWUIBJ-CJNGLKHVSA-N 468.604 5.332 50 10 JKGE COc1c(F)cc([C@@H](Br)c2cccc(Br)c2Br)cc1F 2370460950 XANFHTHXGIWZJC-GFCCVEGCSA-N 470.933 5.983 50 10 JKGE CC1(C)CC[C@@H](CCOc2c(Br)cc(CBr)cc2Br)C1 2370895065 CYHKYIIZZHZWPY-NSHDSACASA-N 469.055 6.702 50 10 JKGE N#C/C(C(=O)Nc1ccc(F)cc1)=C1\S[C@@H](Cc2ccc(F)cc2)C(=O)N1c1ccccc1 2328296 UFRNXXFOKVJCJV-SCIJIFGBSA-N 461.493 5.030 50 10 JKGE CCOc1cc(/C=C(\C#N)c2cccc(C#N)c2)ccc1OCc1ccc(Br)cc1 2887398 NZKUEKPSXKVOBW-WSDLNYQXSA-N 459.343 6.363 50 10 JKGE N#C/C(C(=O)NCc1ccco1)=C1\S[C@@H](Cc2ccc(Cl)c(Cl)c2)C(=O)N1c1ccccc1 11666549 BJXIWIZOIBIGIK-PESPDQJRSA-N 498.391 5.329 50 10 JKGE Cc1cccc(Cl)c1COc1ccc(/C=N/NC(=O)CCCNc2ccc(Cl)cc2)o1 20291608 IXJPGYNQWGOFKR-MZJWZYIUSA-N 460.361 5.816 50 10 JKGE CCc1ccc(NC(=O)/C(C#N)=C\c2cn(-c3ccccc3)nc2-c2ccc(OC)c(OC)c2)cc1 33637787 GQPPWVCMCSJORZ-JWGURIENSA-N 478.552 5.665 50 10 JKGE CCCCOc1ccccc1C(=O)Oc1ccc2c(c1)OC(N)=C(C#N)[C@H]2c1cccc(Cl)c1 38651260 OQFGADNENDTICW-VWLOTQADSA-N 474.944 5.956 50 10 JKGE CCCCOc1cccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)COc4ccc(C)c(C)c4)ccc32)c1 38685198 OFZNARMSFMARGD-GDLZYMKVSA-N 498.579 5.685 50 10 JKGE COc1cc(/C=N/NC(=O)COc2ccc(Cl)c(C)c2)ccc1OCc1ccccc1C 40911525 LKTJJSVDPYIXPS-MZJWZYIUSA-N 452.938 5.074 50 10 JKGE COc1cc(/C=C(\C#N)c2ccc(Cl)cc2)ccc1OC(=O)c1sc2ccccc2c1Cl 41007569 SHUNWYHPUQUWKE-SFQUDFHCSA-N 480.372 7.500 50 10 JKGE O=C(N/N=C/c1ccc(OCc2cccc(F)c2)c(Br)c1)c1cc2ccccc2o1 59303580 AOMNTBWPEPYMTM-LGJNPRDNSA-N 467.294 5.677 50 10 JKGE CCOc1ccc2nc(Sc3ccc(/C=N/NC(=O)c4ccc(Cl)cc4Cl)o3)sc2c1 59507206 ROXWWVUALYSPPO-BHGWPJFGSA-N 492.409 6.510 50 10 JKGE CCOc1cc(/C=C(\C#N)c2ccc([N+](=O)[O-])cc2)cc(Br)c1OCc1ccccc1 59536576 WQJHTBOCZGPRDX-UDWIEESQSA-N 479.330 6.399 50 10 JKGE Fc1cc([C@H](Br)c2ccccc2I)c(F)cc1Br 70474382 IOZSGABHLDFMQY-CYBMUJFWSA-N 487.907 5.816 50 10 JKGE C[C@@H](Cl)c1nc2cc(Br)cnc2n1-c1cccc(I)c1 98039894 LGFLHEUZSMSIQN-MRVPVSSYSA-N 462.516 5.087 50 10 JKGE Fc1cccc(CC(CBr)(CBr)c2cccc(Cl)c2)c1Cl 123428297 IONPCYUWWGIYTI-UHFFFAOYSA-N 454.992 6.403 50 10 JKGE Cl[C@@H](c1csc(I)c1)c1ccc(Br)c2ccccc12 124448351 VVFQXESBZWGOCW-HNNXBMFYSA-N 463.565 6.597 50 10 JKGE COc1c(C)cc(Br)c(C)c1[C@@H](Br)c1cc(F)cc(Br)c1 125746125 QXAXBIPIPHXQQU-HNNXBMFYSA-N 480.997 6.460 50 10 JKGE CCOc1ccc([C@H](Br)c2ccccc2I)c(Br)c1 126712479 MASHPRHWRBXWNW-HNNXBMFYSA-N 495.980 5.937 50 10 JKGE Cc1cc(Br)c([C@H](Cl)c2c(F)cc(Br)cc2F)cc1Br 128652595 FWQCNZIKBHLPRU-AWEZNQCLSA-N 489.379 6.889 50 10 JKGE COc1cc(Cl)cc(CBr)c1OCc1ccc(Br)cc1Cl 168185934 XZJDRFRVNFMHBM-UHFFFAOYSA-N 454.973 6.238 50 10 JKGE COc1cc(/C=C(/C#N)c2nc3cc(C)ccc3[nH]2)cc([N+](=O)[O-])c1OCc1cccc(C)c1 169939609 WOUMQUBXUIDEGO-JAIQZWGSSA-N 454.486 5.740 50 10 JKGE COc1ccc(Cl)cc1[C@H](Cl)c1cc(I)ccc1Br 234883761 FSEXOPCXQPHLBB-CQSZACIVSA-N 471.947 6.044 50 10 JKGE Cc1cccc([C@@H](Br)c2cc(Cl)c(Br)cc2F)c1Br 235927968 ACJDIDVKROVPBH-CQSZACIVSA-N 471.389 6.797 50 10 JKGE Cc1csc([C@@H](Br)c2cc(Br)sc2Br)c1Cl 235934468 RPRZVNMGGCPZEY-ZETCQYMHSA-N 465.457 6.781 50 10 JKGE Fc1cc([C@@H](Br)c2ccc(Cl)cc2Br)c(F)cc1Br 236222589 XPRIZLDBKZUADF-ZDUSSCGKSA-N 475.352 6.628 50 10 JKGE Cc1[nH]c2ccccc2c1C=NNC(=O)c1ccc(COc2ccccc2-c2ccccc2)cc1 254413602 VRQKRLSIEPSPHS-UHFFFAOYSA-N 459.549 6.486 50 10 JKGE CC(CC(=O)Nc1ccc(OCc2ccccc2)cc1)=NNC(=O)c1ccc(C(C)(C)C)cc1 254699234 RTQLNVVBRYEVEP-UHFFFAOYSA-N 457.574 5.698 50 10 JKGE CCn1c(C)nc2cc(C(=O)NN=Cc3cn(-c4ccccc4)nc3-c3ccc(Cl)cc3)ccc21 254865877 XDPDDKODZVUSGM-UHFFFAOYSA-N 482.975 5.635 50 10 JKGE CN(C[C@@H]1CCN(Cc2ccccc2)C1)c1ccc(Br)cc1CBr 383121449 GFCSSDUHLSNKDH-KRWDZBQOSA-N 452.234 5.302 50 10 JKGE Brc1cc2c(cc1[C@H](Br)c1cccc(OCc3ccccc3)c1)OCCO2 383768077 QBYIWXYJHOYBAW-JOCHJYFZSA-N 490.191 6.284 50 10 JKGE O=C(NC[C@H]1CCC[C@@H](CBr)C1)c1cc(Br)c(Br)s1 389412767 LPMNZJRDQFMIMO-BDAKNGLRSA-N 474.056 5.204 50 10 JKGE CC(C)(C)[Si](C)(C)OCCc1ccccc1[C@H]1CN(S(=O)(=O)c2ccccc2)CCCO1 616657597 FAQLXYPGROJIGB-XMMPIXPASA-N 475.727 5.403 50 10 JKGE Cn1cc(Br)c([C@@H](Br)c2csc3c(Br)cccc23)n1 693123347 SLIIZEPFMMRZHP-NSHDSACASA-N 465.008 5.644 50 10 JKGE BrCC(CBr)(Cc1cccc(Br)c1)C1CCOCC1 696855146 WYKHUWGYWXRRED-UHFFFAOYSA-N 455.028 5.194 50 10 JKGE Fc1cc(Cl)c([C@H](Br)c2scc(Br)c2Br)cc1F 705440372 ZPEVMHDEKSVNNU-VIFPVBQESA-N 481.381 6.689 50 10 JKGE CC1(C)CO[C@@H](CC(CBr)(CBr)c2cccc(Br)c2)C1 708413339 GHQCRULMFHEUAJ-CQSZACIVSA-N 469.055 5.682 50 10 JKGE Cl[C@H](Cc1nc2ccccc2s1)c1ccc(I)c(Br)c1 721576274 DVVKVWGPHKTJSS-LLVKDONJSA-N 478.580 6.186 50 10 JKGE Cc1sc([C@H](Cl)c2cc(Br)c(Br)s2)c(C)c1Br 724907980 DZBPKBCJYCHQNA-SECBINFHSA-N 479.484 7.042 50 10 JKGE Cc1ccccc1CSCC(=O)NN=Cc1cc(C)n(-c2ccc(Cl)cc2Cl)c1C 725425182 ZJYYDYKPRIRUEY-UHFFFAOYSA-N 460.430 6.093 50 10 JKGE CC(=NNC(=O)[C@@H]1COc2ccccc2O1)c1ccc2c(c1)[C@@H]1C=CC[C@@H]1[C@H](c1ccccc1Cl)N2 725427060 YRPBQIPPUVMAFM-HFDGUFSPSA-N 499.998 5.847 50 10 JKGE O=C(CSc1nc2ccccc2o1)NN=Cc1ccc(OCc2ccc(Br)cc2)cc1 725446276 UMMYOSXOIBAHFP-UHFFFAOYSA-N 496.386 5.412 50 10 JKGE CCOc1ccc([C@H](O)CCC(=O)NN=Cc2cc(C)n(-c3ccc(Cl)c(Cl)c3)c2C)cc1 1084226193 ZRPFXHGZIARNLP-XMMPIXPASA-N 488.415 5.764 50 10 JKGE CCOc1cc(/C=C(/C#N)C(=O)Nc2ccc(C)c(C)c2)ccc1OCc1ccccc1C#N 1084301145 XLPBLDBZMRIBFZ-OYKKKHCWSA-N 451.526 5.699 50 10 JKGE COc1cc(C=NNC(=O)c2ccc(Cl)c(Cl)c2)ccc1OC(=O)c1ccc(Cl)cc1 1084387949 CLJZMGWVOGJQMN-UHFFFAOYSA-N 477.731 5.639 50 10 JKGE N#C/C(=C\c1cn(CC(=O)Nc2ccccc2)c2ccccc12)C(=O)Nc1cccc(Cl)c1Cl 1084563984 NLIAXSKJTUOXHI-GHRIWEEISA-N 489.362 6.132 50 10 JKGE COc1cc(/C=C(\C#N)C(=O)Nc2cccc(Cl)c2Cl)ccc1OCc1ccc2c(c1)OCO2 1084568762 HQHHQYFDRDIQDC-RQZCQDPDSA-N 497.334 5.855 50 10 JKGE Cc1ccc(OC(=O)c2oc3c(c2C)C(=NNC(=O)c2ccc(-c4ccccc4)cc2)CCC3)cc1 1772748420 XDOMHQUCYBFIEU-UHFFFAOYSA-N 478.548 6.253 50 10 JKGE COc1cc(C=NNC(=O)COc2ccc(C(C)C)c(C)c2)ccc1OCc1ccc(Cl)cc1 1772754875 ZRLUTMMCHGPPSF-UHFFFAOYSA-N 480.992 5.889 50 10 JKGE N#CC1=C(N)Oc2c(c(C(F)(F)F)nn2Cc2ccc(Cl)cc2)[C@H]1c1ccc(Cl)cc1 1865682904 AFDQDUSDBZCFAD-INIZCTEOSA-N 465.262 5.475 50 10 JKGE Cc1ccccc1COc1ccc([C@H]2C(C#N)=C(N)Oc3c2c(C)nn3-c2ccccc2Cl)cc1 1865703421 VLQPKEUVOSKQEJ-SANMLTNESA-N 482.971 5.940 50 10 JKGE CCCc1nn(Cc2cccc(Cl)c2)c2c1[C@@H](c1ccccc1OC(C)C)C(C#N)=C(N)O2 1865705245 PGLHGCJDYVEWRH-QHCPKHFHSA-N 462.981 5.543 50 10 JKGE CCc1nn(-c2cccc3ccccc23)c2c1[C@@H](c1ccc(C(F)(F)F)cc1)C(C#N)=C(N)O2 1865710601 CJBAHXQOAYLCDW-QFIPXVFZSA-N 460.459 5.825 50 10 JKGE CC(C)c1nc(Nc2ccc(SC#N)cc2)cc(N2CCN(C)[C@@H](c3ccc(F)cc3)C2)n1 1868231694 OOKFYWZXDBRTPX-JOCHJYFZSA-N 462.598 5.549 50 10 JKGE C[C@@H]1c2[nH]cnc2CCN1c1cc(Nc2ccc(SC#N)cc2)nc(-c2ccccc2Cl)n1 1868413605 BTWMJOUMNOHFPP-OAHLLOKOSA-N 473.993 5.961 50 10 JKGE COC(=O)c1ccc2c(O)nc(/C(C#N)=C/c3ccc(OCc4ccc(Cl)cc4)cc3)nc2c1 1872727529 IBPDENXVQSZTBK-XDHOZWIPSA-N 471.900 5.419 50 10 JKGE COc1ccc(-c2csc(/C(C#N)=C(\O)Cc3ccc(Br)cc3)n2)c(OC)c1 1872755560 SZYMGEUCYRXUHL-ZPHPHTNESA-N 457.349 5.625 50 10 JKGE COc1ccc(Cl)cc1-c1csc(/C(C#N)=C(\O)c2ccc3c(c2)C(=O)N(C(C)C)C3=O)n1 1872758939 XOCWFNYCABKRMN-UZYVYHOESA-N 479.945 5.426 50 10 JKGE CCCCc1ccc(-c2csc(/C(C#N)=C/c3ccc(OCc4ccccc4C)cc3)n2)cc1 1872780684 HYWJPIRTRGSSPV-OVVQPSECSA-N 464.634 8.104 50 10 JKGE Brc1cc([C@H](Br)[C@H]2C[C@H](Br)C2)sc1Br 1893087565 CTMQPYLDWWHBTR-OKMMGKLZSA-N 467.846 5.883 50 10 JKGE Cc1cc([C@@H](Br)c2cc(I)sn2)sc1Br 1909889594 SEYQTGNCYHNQJU-QMMMGPOBSA-N 479.000 5.364 50 10 JKGE Cc1cccc(C(=O)N(Cc2ccccc2)[C@@H](C)CBr)c1I 1914230589 WWXVEVBHXRIXAY-AWEZNQCLSA-N 472.164 5.025 50 10 JKGE CCC(F)(F)C(C)(C)[C@H](Br)c1sc(Br)c(C)c1Br 1922906293 IEZFOZUUUPOYES-SECBINFHSA-N 469.027 7.089 50 10 JKGE Cc1c(Br)sc([C@H](Br)C2C[C@H]3CC[C@H](C2)C3)c1Br 1922932519 MOANFUJOQHNVSF-HOTUBEGUSA-N 457.069 6.844 50 10 JKGE O=S1(=O)CCCC[C@@H]1[C@@H](Cl)c1c(Br)sc(Br)c1Cl 1923040017 SBQBGXLEOWRMGV-IYSWYEEDSA-N 457.036 5.174 50 10 JKGE C[C@@H]1C[C@@H]1[C@@H]1C[C@H]1[C@H](Br)c1c(Br)sc(Br)c1Cl 1923060924 GQGYXLYYXZSZQZ-RZTSUAATSA-N 463.460 6.655 50 10 JKGE CC(C)(c1ccccc1)[C@H](Br)c1c(Br)sc(Br)c1Cl 1923067806 IXMUWNZMCDAHLP-LLVKDONJSA-N 487.482 7.340 50 10 JKGE CCC1([C@H](Br)c2c(Br)sc(Br)c2Cl)CCCC1 1923071649 KEXWCULYWZJTPW-SECBINFHSA-N 465.476 7.333 50 10 JKGE Clc1cccc([C@@H](Cl)c2c(Br)sc(Br)c2Br)c1 1924583287 IGILUCLINLFCCE-SECBINFHSA-N 479.846 7.017 50 10 JKGE Cc1cc(Br)c([C@H](Cl)c2sncc2Br)cc1Br 1941498476 KBURSJMQXMMRMU-JTQLQIEISA-N 460.416 6.067 50 10 JKGE FC1(F)CCCCC[C@@H]1[C@H](Br)c1cc(Br)sc1Br 2046373211 JPUUKAMYFJXLSL-PSASIEDQSA-N 467.011 6.925 50 10 JKGE N#CC(=Cc1cc([N+](=O)[O-])ccc1Oc1ccc(Br)cc1)S(=O)(=O)c1ccccc1 2053549719 OVYVCTJPDXZZEZ-UHFFFAOYSA-N 485.315 5.488 50 10 JKGE FC(F)(F)[C@@H]1C[C@H]1C[C@@H](Cl)c1c(Br)sc(Br)c1Br 2065504453 FHCRNGMJEXTYFY-VPENINKCSA-N 491.392 6.904 50 10 JKGE COc1ccc([C@H](Br)Cc2ccccc2I)cc1Cl 2087563892 LIRHFSWXMYCOFQ-GFCCVEGCSA-N 451.529 5.632 50 10 JKGE C[C@@H](Cl)c1nc2cc(I)ccc2n1C1(CCOCc2ccccc2)CC1 2090323231 YTWJMYJEVNMMCF-OAHLLOKOSA-N 480.777 6.037 50 10 JKGE CC1(C)CC(CBr)(CNC(=O)c2cc(Br)c(Br)s2)C1 2102090468 ZDZUXMWGAJAMNX-UHFFFAOYSA-N 474.056 5.204 50 10 JKGE FC1(CC(CBr)(CBr)c2cccc(Br)c2)CCCC1 2109642138 QEKZRZXXNCEWRZ-UHFFFAOYSA-N 457.019 6.149 50 10 JKGE CC(C)(F)[C@](C)(F)COc1c(Br)cc(Br)cc1CBr 2112677130 HXBIKXXOHCLLIE-CYBMUJFWSA-N 464.970 5.962 50 10 JKGE Fc1c(C[C@@H](Br)c2ccccc2Br)ccc(Cl)c1Br 2113444709 OOBAOMZMISDIEV-LLVKDONJSA-N 471.389 6.683 50 10 JKGE Cc1cc(Br)c([C@H](Br)[C@@H]2C[C@@H]3CCC[C@@H]3C2)cc1Br 2127057265 WAFWAPHILALUDD-KZTGVZKYSA-N 451.040 6.782 50 10 JKGE CC1(C)C[C@](C)(CBr)CN1Cc1cc(Br)ccc1Br 2134825158 FCSHMRSJSYIYPD-OAHLLOKOSA-N 454.044 5.597 50 10 JKGE COc1cc(F)c([C@@H](Br)c2ccccc2OCc2ccccc2)cc1Br 2138158776 FLXBHFPYDPVPEP-NRFANRHFSA-N 480.171 6.660 50 10 JKGE Cc1c(Br)ccc([C@@H](Br)[C@@H]2C[C@@H]3CCC[C@@H]3C2)c1Br 2138853191 PWDSXUFQCPLSMX-LGSVPQMISA-N 451.040 6.782 50 10 JKGE Cc1c(Br)ccc([C@@H](Br)[C@@H]2C[C@H]3[C@@H](C2)C3(C)C)c1Br 2138862012 IEGACDDTOKZKCQ-LIBKGXAOSA-N 451.040 6.638 50 10 JKGE Brc1ccc([C@@H](Br)[C@H]2C[C@H]3COC[C@H](C3)C2)c(Br)c1 2141795350 WJNPKEHCXNHMQG-DDIVZENXSA-N 453.012 5.710 50 10 JKGE Cc1c(F)ccc([C@@H](Cl)c2ccc(Br)cc2I)c1C 2142278416 CIFKAFHJFDACCX-OAHLLOKOSA-N 453.520 6.138 50 10 JKGE C[C@H](Cl)c1nc2ccc(F)c(Br)c2n1C1(CCOCc2ccccc2)CC1 2146509180 ZVHAGVYCJCAXFL-AWEZNQCLSA-N 451.767 6.334 50 10 JKGE CC(C)(CBr)[C@@H]1CCCN1C(=O)c1ccc(Br)cc1Br 2155823436 HYLMEUSDQPKRJA-ZDUSSCGKSA-N 468.027 5.237 50 10 JKGE ClCc1nc2cc(Br)c(Cl)cc2n1Cc1ncc(Br)s1 2159863134 GJVIUTMWVOMCDG-UHFFFAOYSA-N 455.990 5.458 50 10 JKGE C[C@@H]([C@H]1CCN(Cc2ccccc2)C1)n1c(CCl)nc2cc(Br)c(Cl)cc21 2159869753 BKVTYSLWFHKVLF-HOCLYGCPSA-N 467.238 6.274 50 10 JKGE C[C@H](CCBr)N(Cc1ccccc1)C(=O)c1ccc(OC(F)(F)F)c(Cl)c1 2163390323 AHSNRVQNXXOIKF-CYBMUJFWSA-N 464.709 6.055 50 10 JKGE Fc1c(CC[C@H](Br)c2ccccc2Br)ccc(Cl)c1Br 2169759214 YPABKPBYHAVLCI-LBPRGKRZSA-N 485.416 7.073 50 10 JKGE CCOc1cc(Br)c([C@@H](Br)[C@H]2C[C@@H](Br)C2)cc1OCC 2196897413 YDVLYFCHVQHPQH-WMFXKJRFSA-N 471.027 5.856 50 10 JKGE Cc1ccc([C@@H](Br)c2c(C)c(Br)cc(C)c2Br)c(Cl)c1 2201067876 BSJGGBJZMWFOBE-MRXNPFEDSA-N 481.453 7.275 50 10 JKGE Cc1cc(Cl)c([C@H](Br)c2cc(Cl)c(C)c(Br)c2)cc1Cl 2201360786 CHKJWVBVKQHVQU-OAHLLOKOSA-N 457.420 7.510 50 10 JKGE Cc1c(Br)ccc([C@@H](Cl)Cc2ccc(Br)cc2F)c1Br 2203682817 JMLMQUAHCKRTOT-ZDUSSCGKSA-N 485.416 6.944 50 10 JKGE Cc1c(Br)ccc([C@@H](Cl)c2cc3c(s2)CCSC3)c1Br 2203686471 UIMCYHQEEWQXLN-OAHLLOKOSA-N 452.664 6.699 50 10 JKGE Cc1cc(Br)c([C@H](Cl)c2cc(Br)cs2)c(C)c1Br 2220147074 NDJMXCBTNLBTFD-CYBMUJFWSA-N 473.455 6.981 50 10 JKGE Fc1cc(Br)c(Br)cc1[C@@H](Br)c1cc2c(s1)CCC2 2225616606 HCAFHOJDGLBMDD-CQSZACIVSA-N 469.011 6.385 50 10 JKGE Fc1cc(Br)c(Br)cc1[C@H](Br)CC(C1CC1)C1CC1 2225633651 KVCNLAABHRAWEK-GFCCVEGCSA-N 455.003 6.613 50 10 JKGE Fc1cc(Br)c(Br)cc1[C@@H](Br)[C@@H]1CC12CCOCC2 2225636007 YVPLSFIMTCTYOE-TVQRCGJNSA-N 456.975 5.603 50 10 JKGE Cc1c(F)ccc([C@@H](Br)c2cc(Br)ccc2Br)c1F 2231078427 HCWJYKGULVSWFH-CYBMUJFWSA-N 454.934 6.283 50 10 JKGE Cc1cc(Br)c([C@H](Br)c2cc(F)ccc2F)c(C)c1Br 2235608985 AKKXGETWAJTBGI-OAHLLOKOSA-N 468.961 6.591 50 10 JKGE Cc1cc(Br)sc1[C@H](Br)c1scc(Br)c1Cl 2242670713 JAPPUXLQPGJDFC-ZETCQYMHSA-N 465.457 6.781 50 10 JKGE COc1ccc([C@@H](Br)c2cc(Br)sn2)c(Br)c1Cl 2256322759 HDNPXSIUHFMWIB-SECBINFHSA-N 476.415 5.814 50 10 JKGE CCc1cc([C@H](Br)c2cc(Br)ccc2OC)sc1Br 2267764684 IOUMWWJOHSBKHE-CYBMUJFWSA-N 469.036 6.328 50 10 JKGE CCc1cc([C@@H](Br)Cc2ccc(Br)cc2Cl)sc1Br 2267866644 QBQQEXCJKWPPBW-NSHDSACASA-N 487.482 7.168 50 10 JKGE CCN(C[C@](C)(CI)OCC[C@@H](C)CCCC(C)C)C(=O)OC(C)(C)C 2269406745 QBMHAHMCMIINQA-RXVVDRJESA-N 483.475 6.306 50 10 JKGE COc1ccc([C@@H](Br)c2ccc(Cl)cc2C)cc1I 2269543313 MAHYZKIUPDHTGI-OAHLLOKOSA-N 451.529 5.746 50 10 JKGE FC[C@@]12CC[C@@]([C@H](Br)c3c(Br)sc(Br)c3Cl)(CO1)C2 2274672081 WNQYVAZCGOUSTD-ZHAHWJHGSA-N 497.449 6.271 50 10 JKGE FC1(F)[C@H]([C@H](Br)Cc2cc(Br)cc(Br)c2)C12CCC2 2277962006 AZMMYNJKGZDPEN-VXGBXAGGSA-N 458.966 5.953 50 10 JKGE O=C(c1cc(Br)sc1Br)N1C[C@H](Br)C[C@H]2CCCC[C@H]21 2279518761 ZJPQHIKPXPXVJQ-FXPVBKGRSA-N 486.067 5.441 50 10 JKGE CC(F)(F)C1([C@H](Br)c2c(F)cc(Br)c(F)c2Br)CCC1 2288372670 ANUCELXBHSKMPN-LLVKDONJSA-N 482.935 6.751 50 10 JKGE CS(=O)(=O)c1cscc1[C@@H](Cl)c1cc(Br)c(Br)cc1F 2288512011 GNCORRPIXBYMBO-LBPRGKRZSA-N 462.587 5.144 50 10 JKGE COc1c(Br)cc(Cl)c(C)c1[C@H](Br)c1cc(Br)n(C)n1 2295262229 GUWCQWLNWZWAMP-GFCCVEGCSA-N 487.417 5.400 50 10 JKGE Brc1cc(Br)cc(C[C@H](Br)[C@H]2C[C@H]3COC[C@H](C3)C2)c1 2295332171 SPUDIUXZZRDKBP-ZWUHOBOKSA-N 467.039 5.580 50 10 JKGE COC(=O)c1cc(C(C)C)sc1NC(=O)C(C#N)=Cc1cccc(OC(=O)c2ccc(C)cc2)c1 2295669923 LNTOXBDDSCYROK-UHFFFAOYSA-N 488.565 5.731 50 10 JKGE Cc1ccc(C=C(C#N)C(=O)N2N=C3C(=Cc4ccccc4)CCC[C@H]3[C@H]2c2ccccc2)cc1 2297021084 FXTNDRZPXFXGSK-PQHLKRTFSA-N 457.577 6.725 50 10 JKGE Cc1c(Cl)sc(Cl)c1[C@@H](Br)c1ccccc1I 2299543058 PUCURCGRLCRXGE-JTQLQIEISA-N 461.977 6.452 50 10 JKGE COc1cc(C=C(C#N)c2ccc(Cl)cc2)cc(Br)c1OCc1ccc(Cl)cc1 2313521420 MUJKVPRRMNLYON-UHFFFAOYSA-N 489.196 7.408 50 10 JKGE N#CC(=Cc1ccc(-c2ccc(Cl)cc2Cl)o1)C(=O)N1CCN(c2ccccc2)CC1 2313546058 ZTFSYBGQECSAEE-UHFFFAOYSA-N 452.341 5.509 50 10 JKGE CNC(=O)C(C#N)=Cc1cc(C)n(-c2sc3c(c2C(=O)Nc2ccc(C)cc2)CCCC3)c1C 2313565244 SYZJHWUOWXCDFT-UHFFFAOYSA-N 472.614 5.248 50 10 JKGE COC1([C@@H](Br)c2ccc(OCc3ccccc3)cc2Br)CC(CF)C1 2314447192 YWUDLVJYYXPOQI-YHDJDMAPSA-N 472.192 6.229 50 10 JKGE N#CC(=Cc1ccc(-c2cccc([N+](=O)[O-])c2)o1)C(=O)Nc1ccc(Cl)c(C(F)(F)F)c1 2314489328 SEGZFHJRGSLXAL-UHFFFAOYSA-N 461.783 6.073 50 10 JKGE Cc1cccc(NC(=O)C(C#N)=C2S[C@@H](Cc3ccccc3)C(=O)N2c2ccc(C(C)C)cc2)c1 2314592000 JHFIWAGLKGMVQR-SANMLTNESA-N 481.621 6.183 50 10 JKGE CC(=O)c1ccc(-c2ccc(C=C3C(=O)N([C@@H](C)c4ccccc4)C(=O)C(C#N)=C3C)o2)cc1 2314618491 OLVPJWMTCPFTSC-SFHVURJKSA-N 450.494 5.503 50 10 JKGE C[C@@H]1CO[C@H]([C@@H](Br)c2c(Cl)cc(Br)c(F)c2Br)C1 2315440645 VWPKQOYEKFPNLF-BUMCKTDNSA-N 465.382 5.865 50 10 JKGE Cc1cc(Br)c([C@@H](Br)C[C@@H]2CCC[C@@H]3C[C@H]23)cc1Br 2330817007 UDFMMXNCOMFZNP-YRORDHRNSA-N 451.040 6.782 50 10 JKGE CCCCCCCCCOc1ccc(C=C(C#N)c2nc3ccccc3n2CC)cc1OCC 2331071860 RBMSWDHASHZWPR-UHFFFAOYSA-N 459.634 7.648 50 10 JKGE N#CC(=C(O)CCN1C(=O)c2cccc([N+](=O)[O-])c2C1=O)c1nc(-c2ccc3ccccc3c2)cs1 2331239101 OHXISZCUXJLVME-UHFFFAOYSA-N 496.504 5.350 50 10 JKGE COc1cccc(-c2csc(C(C#N)=C(O)[C@H](CC(C)C)N3C(=O)c4ccccc4C3=O)n2)c1 2331246732 QGQWXDFBKUWMBD-QFIPXVFZSA-N 473.554 5.322 50 10 JKGE COc1cc(C(O)=C(C#N)c2nc(-c3ccc(Br)cc3)cs2)c([N+](=O)[O-])cc1OC 2331259970 AUUMEPKLRCHQOC-UHFFFAOYSA-N 488.319 5.448 50 10 JKGE N#CC(=C(O)CCCOc1ccc(Cl)cc1Cl)c1nc(-c2ccccc2Cl)cs1 2331271675 YSBGTOCONFQPPX-UHFFFAOYSA-N 465.789 7.422 50 10 JKGE CC(C)[C@H](C(O)=C(C#N)c1nc(-c2ccc(F)c(F)c2)cs1)N1C(=O)c2ccccc2C1=O 2331351642 LOGKNTNDQNSDNT-HXUWFJFHSA-N 465.481 5.202 50 10 JKGE CCOc1ccc(OCC)c(-c2csc(C(C#N)=C(O)c3ccc(-n4cccc4)cc3)n2)c1 2331376752 QHOWFVZGGRJJLM-UHFFFAOYSA-N 457.555 6.348 50 10 JKGE Cc1oc(Br)cc1[C@H](Cl)c1c(F)cc(Cl)c(Br)c1Cl 2335301519 HQVKWTWRAGOWBB-NSHDSACASA-N 451.344 6.887 50 10 JKGE Fc1ccc(C(F)F)c([C@@H](Br)c2cc(Br)sc2Br)c1 2338353016 LUWFMRGTADGRQO-SNVBAGLBSA-N 478.953 6.834 50 10 JKGE Cc1c(F)ccc([C@@H](Br)c2cc(Br)ccc2OCc2ccccc2)c1Cl 2338768164 NWQQIAAFXCUVAW-HXUWFJFHSA-N 498.617 7.613 50 10 JKGE COc1c(Br)cc(C)c([C@@H](Br)C[C@@H]2CCOC2)c1Br 2339654543 TTZDYPNLRZZECD-UWVGGRQHSA-N 457.000 5.391 50 10 JKGE CCOc1ccc([C@H](Br)c2cc(Br)c(Br)s2)c(F)c1 2341729978 UOWCAFIPPAFCLA-LBPRGKRZSA-N 472.999 6.295 50 10 JKGE FC(F)(F)[C@H]1OC2([C@H](Cl)c3cc(Br)ccc3OCc3ccccc3)CC1C2 2361215677 VRCNKTKXWQBMON-WGJMPDEYSA-N 461.705 6.418 50 10 JKGE Cc1sc([C@@H](Cl)c2c(Cl)cc(Br)c(F)c2Br)c(C)c1C 2362222291 DGPJAYGKZMFWOO-LBPRGKRZSA-N 461.021 7.319 50 10 JKGE Cc1cc(F)ccc1[C@@H](Br)c1c(Cl)cc(Br)c(F)c1Br 2362228407 CSVARLGGTAAEOV-GFCCVEGCSA-N 489.379 6.936 50 10 JKGE C[C@@H]1CC[C@@H](C(C)(C)Cc2ccc(Cl)c(I)c2)[C@@H](Br)C1 2362431311 FLFBFQYDVWJTKQ-BNOWGMLFSA-N 469.632 6.713 50 10 JKGE FC(F)(F)C12CC([C@H](Br)c3ccc(Br)cc3Br)(CO1)C2 2363912781 JEYOMOZVSJJESG-VOMCLLRMSA-N 478.928 5.759 50 10 JKGE Cc1cc(Br)c([C@H](Cl)c2c(Br)c(Br)nn2C)c(C)c1F 2364233737 DSIXSNLWKMOTJP-JTQLQIEISA-N 489.408 5.792 50 10 JKGE CCCCC1CCC(CBr)(Cc2nn(C)cc2I)CC1 2367479960 VPXSRLHSVOSMQI-UHFFFAOYSA-N 453.206 5.329 50 10 JKGE FC(F)(F)[C@H]1[C@H](Br)CCCN1Cc1cc(Br)ccc1Br 2370294054 HGCMHIWFBAJPBS-VXGBXAGGSA-N 479.960 5.502 50 10 JKGE CC(C)(C)Oc1ccc([C@H](Br)c2ccc(Br)s2)cc1Br 2381324834 YHCFLXRUUXXLEE-AWEZNQCLSA-N 483.063 6.935 50 10 JKGE N#C/C(=C/c1c[nH]c2ccccc12)C(=O)Nc1ccc(NC(=O)/C(C#N)=C/c2c[nH]c3ccccc23)cc1 941258 KJKCNNVQLARWAE-LRVMPXQBSA-N 496.530 5.741 50 10 JKGE C[C@H](Oc1ccc(-c2ccccc2)cc1)C(=O)NNC(=O)[C@@H](C)Oc1ccc(Cl)cc1Cl 14038642 VXMDMAJXJDSRBT-JKSUJKDBSA-N 473.356 5.043 50 10 JKGE COc1cc(/C=C(/C#N)c2nc(-c3ccc(Cl)c(Cl)c3)cs2)ccc1OCc1ccccc1 33735554 QZSQFCKSDBPQAZ-JAIQZWGSSA-N 493.415 7.769 50 10 JKGE Cc1c(F)cccc1N1C(=O)CS[C@H]1c1cccc(NC(=O)[C@H](Cl)c2ccccc2)c1 35927645 GYCLLHIFKIZDCW-VWNXMTODSA-N 454.954 5.831 50 10 JKGE Cc1cccc(C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@H]3c2ccc(OCc3ccccc3)cc2)c1 38650896 WOWQXMLYKILTKW-LJAQVGFWSA-N 488.543 6.011 50 10 JKGE COc1cc2ccccc2cc1C(=O)N/N=C1\C(=O)N(C/C=C/c2ccccc2)c2ccccc21 59165284 PACHIEQGTRLROX-QISOLZMMSA-N 461.521 5.043 50 10 JKGE CCOc1cc(/C=C(\C#N)C(=O)Nc2cccc([N+](=O)[O-])c2)ccc1OCc1ccccc1Cl 59225083 JNFQFPPTXIESTP-XDHOZWIPSA-N 477.904 5.772 50 10 JKGE O=C(N/N=C/c1ccc(Cl)cc1Cl)c1ccc([C@@H]2Nc3ccccc3[C@@H]3C=CC[C@@H]32)cc1 59471609 GIMMOLPHFIGUNM-KFAKIEAISA-N 462.380 6.584 50 10 JKGE C[C@@H]1CCCC[C@@H]1NC(=O)[C@@H](c1ccccc1Cl)N(CCc1ccccc1Cl)C(=O)CCl 84712628 FUADBYKFTGCKPV-OUPRXKBMSA-N 495.878 6.040 50 10 JKGE C/C(CC(=O)Nc1ccc(Cl)cc1Cl)=N\NC(=O)C(c1ccccc1)c1ccccc1 103604324 RCGAQXWOWDNXJR-LQKURTRISA-N 454.357 5.646 50 10 JKGE Br[C@H](Cc1nc2ccccc2s1)c1csc(I)c1 124561752 QBAYDCNRIBWZTB-SECBINFHSA-N 450.164 5.641 50 10 JKGE Cc1cc(Br)ccc1[C@H](Cl)c1cc(Br)c(Br)s1 128119852 SBVGNIXLFYCYGI-NSHDSACASA-N 459.428 6.672 50 10 JKGE Clc1cccc(CO[C@H](CI)c2cccc(Br)c2)c1 162434625 QHNBRYTXBMCPJV-OAHLLOKOSA-N 451.529 5.795 50 10 JKGE CCOc1cc(Cl)c([C@H](Br)c2cc(Br)ccc2F)cc1Cl 164552176 ZBJOIDNYJFGFPJ-HNNXBMFYSA-N 456.964 6.778 50 10 JKGE N#C/C(=C\c1ccc(OC(=O)/C(=C\c2ccccc2)c2ccccc2)cc1)C(=O)NCc1ccco1 206686979 ZEDSHWPEINFEMN-FXKLYGAQSA-N 474.516 5.649 50 10 JKGE O=C(Nc1cccc(CBr)c1)c1cc(I)ccc1Br 232451901 YXAYSYOWYAROGI-UHFFFAOYSA-N 494.952 5.201 50 10 JKGE O=[N+]([O-])c1cc(Br)cc(Oc2ccc(CBr)c(Br)c2)c1 232486874 RIRAKUSJHSHQPM-UHFFFAOYSA-N 465.923 5.807 50 10 JKGE 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 247829745 KUJXAJMABXMSCW-NOZUYSGLSA-N 460.775 7.170 50 10 JKGE Cc1cc(Br)c([C@@H](Br)c2ccc(Br)cc2)cc1Cl 310626315 JURVBEYHAHJZPR-AWEZNQCLSA-N 453.399 6.658 50 10 JKGE ClCc1nc2c(Br)cccc2n1-c1cc(I)ccc1Cl 380849686 ALHAVWXHBOLHBT-UHFFFAOYSA-N 481.946 5.785 50 10 JKGE C[C@H](Cl)c1nc2cc(I)ccc2n1C[C@@H]1CCN(Cc2ccccc2)C1 388337570 VMHGWBSJJQIVGS-DOTOQJQBSA-N 479.793 5.463 50 10 JKGE O=C(c1ccc(Br)cc1Br)N1CCC(CCCBr)CC1 401059977 JDDNTUBURIBXID-UHFFFAOYSA-N 468.027 5.239 50 10 JKGE CC(C)(C)[Si](C)(C)OCc1ccccc1[C@H]1COCCN(S(=O)(=O)c2ccccc2)C1 616595361 VSTACOQXBGHLBI-OAQYLSRUSA-N 461.700 5.013 50 10 JKGE CC(C)(C)[Si](C)(C)OCc1ccccc1[C@H]1CCc2ccccc2N1S(=O)(=O)c1ccccc1 616667505 CMKICIVSSXGDCT-HHHXNRCGSA-N 493.745 7.091 50 10 JKGE CN(C(=O)c1cc(Br)c(Br)s1)[C@H](CBr)C(C)(C)C 689206845 NRZGVTKQUUQDLI-SECBINFHSA-N 462.045 5.155 50 10 JKGE Fc1ccc([C@H](Br)c2cccc(Br)c2F)c(F)c1Br 691636217 PUUMOGVGBKKAPY-SNVBAGLBSA-N 458.897 6.113 50 10 JKGE CC(F)(F)C(C)(C)CC(CBr)(CBr)c1cccc(Br)c1 697102666 VTJGYTZTUBVOCZ-UHFFFAOYSA-N 477.025 6.548 50 10 JKGE COc1ccc(Oc2ccc(CCl)cc2Br)cc1I 712920594 VETWJZITPRPHGM-UHFFFAOYSA-N 453.501 5.593 50 10 JKGE CCOC(=O)c1ccc(-c2ccc(C=NNC(=O)c3ccc(CSCc4ccccc4)cc3)o2)cc1 1083927763 RYSALHAVNFUDGL-UHFFFAOYSA-N 498.604 6.321 50 10 JKGE Cc1nn(-c2ccccc2)c(N(C2CCCCC2)C2CCCCC2)c1C=NNC(=O)C1CCC1 1084017643 SANUDXYXQOJKEG-UHFFFAOYSA-N 461.654 5.903 50 10 JKGE CCCCCCOc1ccccc1C(=O)NN=C(c1ccccc1)[C@H]1C(=O)N(c2ccccc2)N=C1C 1084020880 JLJBDDJBDMIBAQ-MHZLTWQESA-N 496.611 5.819 50 10 JKGE CCOc1cc(C=NNC(=O)c2ccc(Cl)cc2Cl)ccc1OC(=O)/C=C/c1ccccc1 1084283388 YYUFIQBGDGOKMY-VFMWQDSKSA-N 483.351 5.775 50 10 JKGE CCCCCCOc1ccc(C=NNC(=O)CSc2nc(-c3ccc(Cl)cc3)cs2)cc1 1772755044 JCRLMGLQEGICNG-UHFFFAOYSA-N 488.078 6.665 50 10 JKGE Cc1nn(Cc2c(F)cccc2Cl)c2c1[C@@H](c1ccc(Cl)cc1Cl)C(C#N)=C(N)O2 1865685024 CKBWKBHYZHYSIF-IBGZPJMESA-N 463.727 5.557 50 10 JKGE CCCOc1c(OC)cccc1[C@H]1C(C#N)=C(N)Oc2c1c(C)nn2-c1ccc(Cl)c(Cl)c1 1865693142 MHZPPLQGPMNGHI-NRFANRHFSA-N 485.371 5.503 50 10 JKGE CCCc1nn(Cc2cccc(Cl)c2)c2c1[C@H](c1cc(Br)ccc1O)C(C#N)=C(N)O2 1865696435 MQKAWCAXFYWCJF-HXUWFJFHSA-N 499.796 5.224 50 10 JKGE CCc1nn(-c2ccccc2)c2c1[C@H](c1ccc(OCc3ccccc3C)cc1)C(C#N)=C(N)O2 1865702438 AHHYXWZIIIONJF-AREMUKBSSA-N 462.553 5.540 50 10 JKGE CCCc1nn(C)c2c1[C@H](c1c(OCc3ccccc3)ccc3ccccc13)C(C#N)=C(N)O2 1865703579 BSOPUMAIJBHWNS-VWLOTQADSA-N 450.542 5.323 50 10 JKGE CCCc1nn(CC(C)C)c2c1[C@H](c1cccc(OC)c1OCc1cccc(C)c1)C(C#N)=C(N)O2 1865704624 AGXYJWARUBFZGS-RUZDIDTESA-N 486.616 5.606 50 10 JKGE CC(C)c1nc(Nc2ccc(SC#N)cc2)cc(N2CCC[C@H]2C(=O)NCc2ccccc2)n1 1868231323 CMBXHPXSHHUYIJ-QFIPXVFZSA-N 472.618 5.202 50 10 JKGE COc1cc(C)c(-c2csc(/C(C#N)=C(\O)C(c3ccccc3)c3ccccc3)n2)cc1C(C)C 1872753547 CKIBDZNGCYBSHE-GNVQSUKOSA-N 480.633 7.875 50 10 JKGE COc1cccc(-c2csc(/C(C#N)=C/c3ccccc3OCc3ccccc3Cl)n2)c1 1872781931 WTWFVBXNHRDDDU-FYJGNVAPSA-N 458.970 7.115 50 10 JKGE CCOc1ccc(OCC)c(-c2csc(/C(C#N)=C/c3cc(OC)c(OC)cc3OC)n2)c1 1872792607 HWQZHCCRKFRERK-LICLKQGHSA-N 466.559 5.697 50 10 JKGE CCOc1cc(/C=C(\C#N)c2nc(-c3ccc(OC)cc3OC)cs2)ccc1OCc1ccccc1 1872793836 WGDPPTADOLLUMG-HYARGMPZSA-N 498.604 6.869 50 10 JKGE CCN(C[C@](C)(CI)OCCCOCc1ccccc1)C(=O)OC(C)(C)C 1881763847 WGVKMWCHPDWGMU-NRFANRHFSA-N 491.410 5.061 50 10 JKGE Cc1c(Br)sc([C@H](Br)[C@@H]2CC[C@H]3CCCC[C@H]3C2)c1Br 1922882217 GOCAKYIHCYUXOX-GFQSEFKGSA-N 485.123 7.624 50 10 JKGE Cc1c(Br)sc([C@H](Br)[C@@]23CCCC[C@@H]2CCC3)c1Br 1922929156 GQTPTIZEVRLCGO-RIEGTJTDSA-N 471.096 7.378 50 10 JKGE Cc1c(Br)sc([C@@H](Br)c2nn(C)c(Cl)c2Cl)c1Br 1922931692 FGPSBDFVHGEUDA-YFKPBYRVSA-N 497.865 6.106 50 10 JKGE C[C@]1([C@@H](Br)c2c(Br)sc(Br)c2Cl)CCOC1 1923061281 IXLSZPGEZOSWBO-XVKPBYJWSA-N 453.421 5.789 50 10 JKGE Brc1cccc(Br)c1CC[C@@H](Br)COCc1ccccc1 1934527818 MBBDQSNPOOHEAR-CQSZACIVSA-N 477.034 6.125 50 10 JKGE Cc1cc(Br)c([C@@H](Cl)c2csc(Br)c2Br)s1 1937734040 BQXQSTXJFXWVKG-QMMMGPOBSA-N 465.457 6.734 50 10 JKGE CN(CCN(Cc1ccccc1)c1ccc(CBr)c(C(F)(F)F)c1)Cc1ccccc1 1946826867 OARIEWYMEWLKKQ-UHFFFAOYSA-N 491.395 6.739 50 10 JKGE Clc1c(Br)sc(Br)c1[C@H](Br)[C@H]1C[C@]12CCOC2 1950627692 DLRVXJPCXZXYRY-REBBBIQUSA-N 465.432 5.789 50 10 JKGE Brc1ccc([C@@H](Br)Cc2ccccn2)c(I)c1 2026219732 XXPJYRLBLVYEIS-LBPRGKRZSA-N 466.942 5.127 50 10 JKGE Cc1cc([C@@H](Br)c2cc(C3CC3)c(Br)s2)sc1Br 2033643180 PBHSPAAKAIVHBK-LLVKDONJSA-N 471.077 7.005 50 10 JKGE FC(F)(F)CC1([C@@H](Br)c2cc(Br)c(Br)s2)CCC1 2034503601 BPQGDBDYNXSKSQ-QMMMGPOBSA-N 470.974 6.832 50 10 JKGE C[C@@H]1[C@@H](CO[Si](C)(C)C(C)(C)C)O[C@H](OCc2ccccc2)[C@@H](C)[C@@H]1OCc1ccccc1 2037814276 RQBNHKQEDQLOIT-DJYQTOCQSA-N 470.726 6.808 50 10 JKGE N#CC(=Cc1ccc(Cl)cc1)c1cn(-c2ncc(C(F)(F)F)cc2Cl)c2ccccc12 2040739426 GJPHEGYZRACSIZ-UHFFFAOYSA-N 458.270 7.415 50 10 JKGE CCCC(CBr)(CCC)CN1CCC(CNC(=O)OCc2ccccc2)CC1 2044705136 IYRJUKXBZUSQLO-UHFFFAOYSA-N 453.465 5.606 50 10 JKGE Clc1ccc([C@H](Br)Cc2c(Br)cccc2Br)cc1 2050571642 NVFSFDQUBZJXMO-CQSZACIVSA-N 453.399 6.544 50 10 JKGE C=C(C)[C@@H]1CC[C@]2(C)[C@H](CC[C@@H]3[C@H]([C@](C)(O)C/C=C/C(C)(C)OO)CC[C@@]32C)[C@@]1(C)CCC(=O)O 2069574983 LGAAOWVIOGAQEU-HDZSYFHYSA-N 490.725 7.258 50 10 JKGE Clc1c(Br)sc(Br)c1[C@H](Br)C1(CC2CCC2)CC1 2069579502 AYZRDXUEXWGLEX-JTQLQIEISA-N 477.487 7.333 50 10 JKGE COc1cc(Cl)c([C@H](Br)c2ccoc2Br)cc1Br 2082377356 QCNAQIAZWJNTGM-LLVKDONJSA-N 459.359 5.951 50 10 JKGE Cc1sc(Br)c([C@@H](Br)Cc2ccccc2Br)c1C 2082871794 UNXYQRVSKCSVCW-LBPRGKRZSA-N 453.037 6.569 50 10 JKGE C[C@@H]1Cc2cc([C@@H](Br)c3ccsc3Br)cc(Br)c2O1 2090457955 KAUZLMDZPUQMRJ-JMCQJSRRSA-N 467.020 6.081 50 10 JKGE Brc1ccc(CN2C[C@H]3C[C@@H](Br)CC[C@H]3C2)c(Br)c1 2092266737 MXINEGRTENSAKG-UHTWSYAYSA-N 452.028 5.207 50 10 JKGE CS(=O)(=O)c1csc([C@@H](Br)c2cccc(Br)c2Br)c1 2093073161 YTECLMOMMWJOBY-LBPRGKRZSA-N 489.048 5.161 50 10 JKGE CCOc1cc(Cl)c([C@@H](Br)c2cscc2OCc2ccccc2)cc1Cl 2100093289 RUOUCCODBYKZAK-HXUWFJFHSA-N 472.231 7.517 50 10 JKGE CC(C)(F)[C@@](C)(F)COc1c(Br)cc(Br)cc1CBr 2112677131 HXBIKXXOHCLLIE-ZDUSSCGKSA-N 464.970 5.962 50 10 JKGE CO[C@@H]1CC([C@H](Br)c2c(Br)sc(Br)c2Cl)C[C@H]1OC 2118273541 YWCBJHDJPQFQCO-BHNWBGBOSA-N 497.474 5.803 50 10 JKGE Fc1c(Br)ccc(Cl)c1C[C@H](Br)c1ccc(Br)cc1 2122153900 PDWUGYXZHABTHG-LBPRGKRZSA-N 471.389 6.683 50 10 JKGE CC1(C)CCCN(Cc2ccc(Br)cc2Br)[C@@H]1CBr 2129322028 OXRXNJCJINEGII-CQSZACIVSA-N 454.044 5.597 50 10 JKGE CC1(C)C[C@](C)(CBr)CN1Cc1c(Br)cccc1Br 2134829889 JCXMLHCVHCKMGU-OAHLLOKOSA-N 454.044 5.597 50 10 JKGE COc1sccc1[C@H](Br)c1c(C)c(Br)cc(C)c1Br 2136373935 HIXTZWKUWUBBIS-ZDUSSCGKSA-N 469.036 6.383 50 10 JKGE Cc1cc(Br)c(C)c([C@@H](Br)[C@H]2CCCC2(F)F)c1Br 2136379550 LNEWGFPTLRQQJN-RNCFNFMXSA-N 460.982 6.700 50 10 JKGE COc1cc(F)c([C@H](Br)c2cccc(I)c2)cc1Br 2138162386 UBYNSEGCGOZDKK-CQSZACIVSA-N 499.943 5.686 50 10 JKGE CCOC1CC(C[C@@H](Br)c2ccc(Br)c(C)c2Br)C1 2138855843 YDWHEFSBQOJWQL-QIMFLAQGSA-N 455.028 6.161 50 10 JKGE Cl[C@@H](c1ccc(-c2cccs2)s1)c1cc(Br)c(Br)s1 2140970419 LXHWPMLXRWAMLW-LBPRGKRZSA-N 454.661 7.391 50 10 JKGE Cc1cc(Cl)c([C@@H](Br)c2ccc(I)c(C)c2)cc1Cl 2142103003 DJHNZYBXKGUODN-HNNXBMFYSA-N 469.975 6.699 50 10 JKGE C[C@@H](CBr)[C@@H]1CCCCN1Cc1ccc(I)c(Cl)c1 2142949258 HVHPOAVWHPLHDY-NHYWBVRUSA-N 456.593 5.330 50 10 JKGE Brc1cccc([C@@H](Br)c2ccc3c(c2)OCCO3)c1Br 2148752668 UVWVSOXELDHCRY-AWEZNQCLSA-N 462.963 5.467 50 10 JKGE O=C(Nc1ccc(CCBr)cc1)c1cccc(Br)c1Br 2148768936 HWRWZLMXMHYIRB-UHFFFAOYSA-N 461.979 5.401 50 10 JKGE CC1(C[S@@](C)(=O)=NCCCCCCCCCBr)CN(C(=O)OC(C)(C)C)C1 2192786063 NTRWOIPOUQOOLV-HHHXNRCGSA-N 467.514 5.467 50 10 JKGE COc1cc(F)c([C@H](Br)c2ccc(Br)cc2Cl)cc1Br 2202903869 KBKNVVGZQXAVJZ-CQSZACIVSA-N 487.388 6.497 50 10 JKGE COc1c(Br)cc(C)cc1[C@H](Cl)c1cccc(C)c1I 2203813997 CRQKSDCQBPCTCS-CQSZACIVSA-N 465.556 6.007 50 10 JKGE Cc1nc([C@H](Br)c2c(C)sc(Br)c2C)c(Br)s1 2213637106 RLYTWCNXNUGIEL-MRVPVSSYSA-N 460.054 6.139 50 10 JKGE CCOCc1cc(Br)c([C@H](Cl)c2cc(I)sn2)s1 2217987478 JQSXUYNQPMZRTK-SNVBAGLBSA-N 478.602 5.436 50 10 JKGE Brc1cc([C@@H](Br)[C@H]2C[C@H]3CCC[C@H](C3)C2)sc1Br 2218346450 OKAQSPDAOTZCGC-WJZNIJOASA-N 457.069 6.926 50 10 JKGE COc1cc(C)ccc1[C@@H](Br)c1sc(Br)c(C)c1Br 2225620803 ZDXGNOCBGMFMAB-GFCCVEGCSA-N 469.036 6.383 50 10 JKGE CCCC[C@H](CC)[C@@H](Br)c1c(Br)cc(C)c(Br)c1C 2227348370 NGBMSPPEWYMMRN-BLLLJJGKSA-N 455.072 7.481 50 10 JKGE Cc1cc([C@@H](Br)c2ccc3c(c2Br)CCO3)c(Br)s1 2229733579 KHUBTKXLRZOUNK-ZDUSSCGKSA-N 467.020 6.001 50 10 JKGE Clc1ccc([C@@H](Cl)c2c(Br)cc(Cl)c(Cl)c2Cl)cc1Br 2232510515 HHKLZBUHODEPRY-LLVKDONJSA-N 498.256 8.153 50 10 JKGE CSc1ccccc1[C@@H](Br)c1c(Br)cc(Cl)c(Cl)c1Cl 2232514871 XKQPQKQXNQGVIM-GFCCVEGCSA-N 475.460 7.616 50 10 JKGE C[C@@H]1CN(Cc2ccccc2)C[C@H]1Cn1c(CCl)nc2c(F)cc(Br)cc21 2232913596 FZMCVCSMGZGZBI-ZBFHGGJFSA-N 450.783 5.445 50 10 JKGE Cc1sc([C@@H](Br)c2ccc(OCc3ccccc3)cc2)c(Br)c1C 2246388629 GZDXIUVETQAMJB-IBGZPJMESA-N 466.238 7.191 50 10 JKGE Cc1c(Br)cccc1CO[C@@H](CI)c1cccc(Cl)c1 2283653213 DGQUIOHNUWNVLP-INIZCTEOSA-N 465.556 6.104 50 10 JKGE CC1(C)[C@H]2CO[C@@]1(COc1c(Br)cc(CBr)cc1Br)C2 2288962683 GMQHSTDGAXMUIN-MEBBXXQBSA-N 469.011 5.300 50 10 JKGE COc1c(Br)cc([C@H](Cl)c2cc(I)sn2)c(OC)c1C 2295418297 FDGJPPTVCYJWEW-NSHDSACASA-N 488.572 5.164 50 10 JKGE Cc1ccc(N2C(=O)[C@@H](Cc3ccccc3Cl)SC2=C(C#N)C(=O)Nc2ccccc2)cc1 2296834874 WIYKRNRJDWWRGI-HSZRJFAPSA-N 473.985 5.713 50 10 JKGE COc1ccc([N+](=O)[O-])cc1NC(=O)C(C#N)=Cc1ccc(-c2ccc(Br)cc2)o1 2297306960 LYKIUQFINJEEMU-UHFFFAOYSA-N 468.263 5.172 50 10 JKGE N#CC(=Cc1ccccc1)C(=O)O[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)c1ccccc1 2297411086 YOQVTGWUYFVEOV-QFIPXVFZSA-N 461.861 5.078 50 10 JKGE COc1csc([C@@H](Br)c2cc(Br)ccc2OCc2ccccc2)c1 2299500410 FNESSTHXZYIGCW-IBGZPJMESA-N 468.210 6.583 50 10 JKGE CC(C)[C@@H]1CCc2c(OCc3ccccc3)ccc(Br)c2[C@@H](Br)C1 2299517636 MUVFNSKSKGWRGW-APWZRJJASA-N 452.230 7.073 50 10 JKGE CCN(C[C@](C)(CI)O[C@@H]1C[C@H]2CC[C@H](C2)C1)C(=O)OC(C)(C)C 2299587811 VPRWWDKUKFSISG-MKSNKDDYSA-N 451.389 5.032 50 10 JKGE Brc1cc([C@@H](Br)[C@H]2OC[C@@H]3CCCC[C@H]23)c(Br)s1 2312259754 HGKLNKLRTMPKCF-MMSPYSMKSA-N 459.041 5.914 50 10 JKGE Cc1c(C=C(C#N)C(=O)Nc2cccc(Cl)c2Cl)c2ccccc2n1Cc1ccc(Cl)cc1 2313571086 NCMDYCIJPPNXEG-UHFFFAOYSA-N 494.809 7.504 50 10 JKGE Cc1ccc(NC(=O)C(C#N)=Cc2cc(Cl)ccc2OCc2ccccc2Cl)cc1C 2313637875 JVOHLOMWZJVHJQ-UHFFFAOYSA-N 451.353 6.735 50 10 JKGE Cc1ccc(NC(=O)C(C#N)=Cc2cc(Br)ccc2OCc2cccc(Cl)c2)c(C)c1 2313667432 MWHMBSWPHLQMDA-UHFFFAOYSA-N 495.804 6.844 50 10 JKGE Cc1ccc(Cl)cc1NC(=O)C(C#N)=Cc1cc(Cl)ccc1OCc1ccccc1F 2313676867 RJQPNCZIBKFPNY-UHFFFAOYSA-N 455.316 6.566 50 10 JKGE CCOc1cc(C=C(C#N)C(=O)NCc2ccc(OC)cc2)ccc1OCc1ccccc1F 2313724507 DCFVCLSFPWQKBM-UHFFFAOYSA-N 460.505 5.035 50 10 JKGE Cc1cccc(Cn2cc(C=C(C#N)C(=O)Nc3cccc(C(F)(F)F)c3)c3ccccc32)c1 2313728182 ZRTHKLKASRZOJK-UHFFFAOYSA-N 459.471 6.563 50 10 JKGE CCOc1ccc(NC(=O)C(C#N)=Cc2ccc(-c3cc(C(F)(F)F)ccc3Cl)o2)cc1 2314482198 AXFUAORJHDTZCE-UHFFFAOYSA-N 460.839 6.563 50 10 JKGE Brc1cc(OCc2ccccc2)ccc1[C@H](Br)[C@@]12CCC[C@H]1OCC2 2314504022 YLOAUSACOGPEQE-QHAWAJNXSA-N 466.213 6.423 50 10 JKGE Cc1ccc(-c2ccc(C=C(C#N)c3nc(-c4ccc([N+](=O)[O-])cc4)cs3)o2)c([N+](=O)[O-])c1 2314571821 MOYLRUKCJWSEOJ-UHFFFAOYSA-N 458.455 6.259 50 10 JKGE CCOC(=O)c1c(NC(=O)C(C#N)=Cc2ccc(-c3ccccc3Cl)o2)sc2c1CC[C@@H](C)C2 2314572210 WDENHEXWHZCIIS-OAHLLOKOSA-N 495.000 6.509 50 10 JKGE CCc1ccc(N2C(=O)[C@@H](Cc3ccccc3C)SC2=C(C#N)C(=O)N[C@H](C)c2ccccc2)cc1 2314593453 NCEQSRYKWZKHLE-JIPXPUAJSA-N 495.648 5.861 50 10 JKGE C=CCOc1ccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)C=Cc4ccccc4)ccc32)cc1OC 2314634431 RWBXAKZNMYSWQY-MUUNZHRXSA-N 480.520 5.097 50 10 JKGE CO[C@@H]1CC[C@@H]1[C@@H](Br)c1c(Cl)cc(Br)c(F)c1Br 2315445682 PQHPBMWGBZRIOU-VCPWFBHLSA-N 465.382 5.865 50 10 JKGE Fc1c(Br)cc(Cl)c([C@H](Br)[C@]23CCC[C@@H]2C3)c1Br 2315450825 IPRJKNUQZYMANS-GBRJYTSESA-N 461.394 6.630 50 10 JKGE Fc1c(Br)cc(Cl)c([C@@H](Br)CCCC(F)F)c1Br 2315451000 KDRUOMZDSQIMQG-YFKPBYRVSA-N 473.352 6.876 50 10 JKGE CCc1ccc([C@@H](C)NC(=O)C(C#N)=CN2CCN(C(c3ccccc3)c3ccccc3)CC2)cc1 2325093220 REGPQZOBOFHURO-XMMPIXPASA-N 478.640 5.241 50 10 JKGE C[C@@H]1CC=CC[C@]1(CBr)Cc1ccc(I)c(Br)c1 2325217287 CLWDVTQLNBRAPL-IAQYHMDHSA-N 484.013 5.964 50 10 JKGE CCOC(=O)c1c(NC(=O)C(C#N)=Cc2cccc(F)c2)sc(C(=O)OCc2ccccc2)c1C 2329674041 CJRGCHCCYLNIRN-UHFFFAOYSA-N 492.528 5.275 50 10 JKGE CCOC(=O)c1c(-c2ccc(Cl)cc2)csc1NC(=O)C(C#N)=Cc1cccc(F)c1 2329674070 MYGOIJYOILXUOB-UHFFFAOYSA-N 454.910 5.930 50 10 JKGE N#CC(=C(O)CNC(=O)c1ccc(Cl)cc1)c1nc(-c2ccc(Br)cc2)cs1 2331259618 DAFHPHUMTPXEQU-UHFFFAOYSA-N 474.767 5.449 50 10 JKGE CC[C@H](C)[C@H](C(O)=C(C#N)c1nc(-c2ccc(F)c(C)c2)cs1)N1C(=O)c2ccccc2C1=O 2331322503 FLHIKQVVQDFZRW-RCDICMHDSA-N 475.545 5.761 50 10 JKGE CCCc1ccccc1[C@@H](Br)c1cc(Br)ccc1OCc1ccccc1 2336053790 LZBPBZLBLDPMFB-HSZRJFAPSA-N 474.236 7.465 50 10 JKGE CC(F)(F)[C@@H]1C[C@H]1[C@@H](Br)c1c(Cl)cc(Br)c(F)c1Br 2337083642 CDCSTPUMBRDBDS-UDJQAZALSA-N 485.363 6.731 50 10 JKGE COc1c(Br)cc(C)c([C@@H](Br)C2CCOCC2)c1Br 2339650000 ASIIZLIUBVJUSZ-LBPRGKRZSA-N 457.000 5.391 50 10 JKGE COc1c(Br)cc(C)c([C@@H](Br)c2cscc2Cl)c1Br 2339656384 NFBQYWGIPHPBHW-NSHDSACASA-N 489.454 6.728 50 10 JKGE C[C@H]1CCC[C@](CBr)(OCc2c(Br)cccc2Br)C1 2340604751 XTWRMGONXYXPGZ-NHYWBVRUSA-N 455.028 6.072 50 10 JKGE Cn1ncc([C@H](Br)CCc2cc(Cl)cc(Cl)c2)c1I 2341184929 WPTHQHIPXYHZKO-GFCCVEGCSA-N 473.967 5.400 50 10 JKGE CO[C@]1(C(F)F)C[C@H]([C@H](Br)c2cc(Br)ccc2OCc2ccccc2)C1 2343016731 DPLVXMCJVGMNJH-ADLFWFRXSA-N 490.182 6.524 50 10 JKGE Brc1cc(C[C@H]2Cc3ccccc3[C@H]2Br)ccc1I 2349807145 MHOLHNCGYPAYNC-LRDDRELGSA-N 491.992 5.905 50 10 JKGE ClC[C@H]1CCN(Cc2ccc(I)c(Br)c2)C12CCC2 2349851150 CLSATXMKJPMVGZ-GFCCVEGCSA-N 454.577 5.037 50 10 JKGE CC(C)(CCl)[C@@H]1CCCN1Cc1ccc(I)c(Br)c1 2349860461 ZZYNUKUZHIUGDH-AWEZNQCLSA-N 456.593 5.283 50 10 JKGE Fc1c(Br)cc(Cl)c([C@H](Cl)c2c(Cl)cccc2Cl)c1Br 2362238699 JQGROVPAFDQOKK-GFCCVEGCSA-N 481.801 7.639 50 10 JKGE Cc1c([C@@H](Cl)c2cc(Br)c(Br)cc2F)ccc(Cl)c1Cl 2364439999 FHBQPRYEWFAWBM-CQSZACIVSA-N 461.383 7.294 50 10 JKGE CC[C@@H](CC(F)(F)F)[C@@H](Br)c1c(C)cc(Br)c(F)c1Br 2365187163 XRUZFIBYNJUTFB-OIBJUYFYSA-N 484.951 7.074 50 10 JKGE FC(F)(F)[C@@H]1[C@H](Br)CCCN1Cc1ccc(Cl)cc1I 2370306063 QSNRITPZNLPMKB-PWSUYJOCSA-N 482.509 5.235 50 10 JKGE COc1c(F)cc([C@@H](Br)c2cc(Br)ccc2Br)cc1F 2370436020 BNBINRABTADGST-CYBMUJFWSA-N 470.933 5.983 50 10 JKGE Cc1cc(Br)c(C(C)C)cc1[C@@H](Br)c1ccc(Br)cc1 2380942649 SFPQMKMMIABQRK-KRWDZBQOSA-N 461.035 7.128 50 10 JKGE Cc1cccc(C)c1N/C(SCc1ccc(Cl)cc1)=C(/C#N)S(=O)(=O)c1ccccc1 20325056 DHXBETWEIZWERP-ZNTNEXAZSA-N 469.031 6.469 50 10 JKGE COc1ccccc1/C(C#N)=C\c1ccc(OC(=O)[C@@H](C)Oc2ccc(Cl)cc2Cl)cc1 31900719 WRAOXKCWKIPISQ-OKSBFYSISA-N 468.336 6.439 50 10 JKGE COc1ccc(/C(C#N)=C\c2cccc(OC(=O)c3cc(OC)c(OC)c(OC)c3)c2)cc1OC 31902910 LBBFAIKLZIEDAX-JAIQZWGSSA-N 475.497 5.013 50 10 JKGE CCOc1ccc(/C=C/C(=O)Oc2cccc(/C=C(/C#N)c3ccc(OC)cc3)c2)cc1OC 31903185 BDWGRLOZJUKWJB-CKWWZSKKSA-N 455.510 5.785 50 10 JKGE COc1cccc2cc(-c3nn(-c4ccccc4)cc3/C=C(\C#N)C(=O)NCCCOC(C)C)oc12 33515881 YDQZAONDILFWKW-RCCKNPSSSA-N 484.556 5.132 50 10 JKGE CCc1ccc(O[C@H](C)C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@@H]3c2ccc(Cl)cc2)cc1 38651412 ROBBGMMRJJNSNO-PUAOIOHZSA-N 474.944 5.493 50 10 JKGE Cc1ccc(NC(=O)c2oc3c(c2C)/C(=N/NC(=O)Cc2coc4c(C)c(C)ccc24)CCC3)c(C)c1 40826614 YGSYEIVGKAPOOW-FEZSWGLMSA-N 497.595 6.220 50 10 JKGE CC(C)(c1ccccc1)c1ccc(OCC(=O)N/N=C/c2ccc(Cl)c([N+](=O)[O-])c2)cc1 40866518 ONOFQQHZNCAXJR-CVKSISIWSA-N 451.910 5.103 50 10 JKGE COc1cc(/C=N/NC(=O)c2ccc(-n3c(C)ccc3-c3ccccc3)cc2)cc(OC)c1OC 59303743 VHKAOEURSHBHGZ-RDRPBHBLSA-N 469.541 5.242 50 10 JKGE O=C(N/N=C/c1ccc(-c2cc([N+](=O)[O-])ccc2Cl)o1)c1cc2cc(Br)ccc2o1 59303823 ATDZNJJPPPNTLE-AUEPDCJTSA-N 488.681 5.781 50 10 JKGE O=C(CCl)Nc1ccc2nc(S[C@H](c3ccccc3)c3ccc(Cl)cc3)sc2c1 59432031 KZLJQEKVCISXJK-OAQYLSRUSA-N 459.423 7.009 50 10 JKGE COc1cc(/C=C(/C#N)C(=O)Nc2nc3ccccc3s2)ccc1OCCCOc1ccccc1 102466560 QDLIDZFMLUYGIM-SILNSSARSA-N 485.565 5.698 50 10 JKGE Cc1ccc(N2C(=O)[C@@H](Cc3ccccc3)S/C2=C(/C#N)C(=O)Nc2ccc(F)cc2)cc1 102764752 NQVYBMQDCWAUIF-YMGIJWJESA-N 457.530 5.199 50 10 JKGE COc1cc(C)c(Br)cc1[C@@H](Br)c1cc(F)ccc1Br 115866962 DGJMIPGYMCDGTA-HNNXBMFYSA-N 466.970 6.152 50 10 JKGE Brc1ccc([C@H](CI)O[C@H]2CCCc3ccccc32)cc1 162077367 VGHBPDPCLAAZTO-ROUUACIJSA-N 457.149 6.019 50 10 JKGE CCOc1ccc(/C=N/NC(=O)c2ccc3[nH]c(-c4ccccc4Cl)nc3c2)cc1Cl 169926689 FCFVMIZBQZACID-LGJNPRDNSA-N 453.329 5.699 50 10 JKGE CCOc1cc(/C=C2\C(=O)N(Cc3ccc(F)cc3)C(=O)C(C#N)=C2C)ccc1OCC(C)C 214410709 XSMNZMXTGCZNBA-UUYOSTAYSA-N 462.521 5.052 50 10 JKGE CC(C)Cc1ccc([C@@H](Br)c2ccc(Br)cc2Br)cc1 232655543 VVSJVGZBUURQGJ-QGZVFWFLSA-N 461.035 6.894 50 10 JKGE CC1(C)COc2ccc([C@@H](Br)c3cc(Br)sc3Br)cc21 232848469 QJCYYQVOTPUKOY-CYBMUJFWSA-N 481.047 6.427 50 10 JKGE COc1cc(F)c(Br)cc1[C@@H](Br)c1cccc(Br)c1F 234866745 LGBUFXJOCWLDJT-ZDUSSCGKSA-N 470.933 5.983 50 10 JKGE COc1cc(F)c(Br)cc1[C@H](Br)c1ccc(I)cc1 234915399 RVAYVBAMBXVDRS-CQSZACIVSA-N 499.943 5.686 50 10 JKGE Clc1cc2c(cc1[C@H](Cl)c1cc(Br)sc1Br)OCCO2 236038081 FQMLIKGRMOBWSM-LBPRGKRZSA-N 458.986 6.026 50 10 JKGE Clc1ccc(Br)c([C@H](Br)c2cc(Cl)c(Br)s2)c1 236051547 HUTWQIUCYZKJSE-JTQLQIEISA-N 479.846 7.064 50 10 JKGE Fc1c(Br)cccc1[C@H](Br)c1csc2c(Br)cccc12 236128601 IQEYSRRQEJDWOR-ZDUSSCGKSA-N 479.006 7.050 50 10 JKGE Fc1cc(F)c([C@@H](Br)c2ccc(Br)cc2Br)cc1F 236226842 NBVBDGHPWWKPCC-ZDUSSCGKSA-N 458.897 6.113 50 10 JKGE N#CC1=C(N)Oc2cc(O)c(C=Nc3cc(C(F)(F)F)ccc3Cl)cc2[C@H]1c1ccco1 252625098 QDFIVRFZLZFSNC-HXUWFJFHSA-N 459.811 5.626 50 10 JKGE CCOc1cc(C(=O)NN=Cc2cccc(OCc3ccccc3)c2)cc(OCC)c1OCC 254821438 NIZMWWURCNNEEJ-UHFFFAOYSA-N 462.546 5.226 50 10 JKGE Brc1ccc([C@H](Br)c2sccc2I)s1 306722403 ITHGWOAUROKTPU-QMMMGPOBSA-N 463.985 5.661 50 10 JKGE COc1ccc(COc2cccc(CBr)c2Br)cc1Br 315683891 IAQVNHXXMVETSM-UHFFFAOYSA-N 464.979 5.694 50 10 JKGE Cc1cc(Br)ccc1[C@@H]1CN(C(=O)OC(C)(C)C)C[C@@H]1CI 382686150 FUDQENSSEUAQPT-SWLSCSKDSA-N 480.184 5.143 50 10 JKGE Fc1ccc(Cl)c([C@H](Br)c2scc(C(F)(F)F)c2Br)c1 383344046 XJWPBZBIPXEOBE-VIFPVBQESA-N 452.492 6.806 50 10 JKGE CCCOc1cccc2c1nc([C@H](C)Cl)n2CCCN(Cc1ccccc1)Cc1ccccc1 390467953 BDDUQXKVYJDJEM-QHCPKHFHSA-N 476.064 7.217 50 10 JKGE CC(C)=CCC[C@@H](C)[C@H]1CC[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@@]21C 605692453 NIMQFHVGNORCHW-FLFWOSPYSA-N 498.912 10.338 50 10 JKGE in-vitro CC(C)(C)[Si](C)(C)OCCc1ccccc1[C@@H]1CNCCN1CCO[Si](C)(C)C(C)(C)C 616605481 YXJSOEQWFZZGDQ-DEOSSOPVSA-N 478.870 6.219 50 10 JKGE CC(C)(C)OC(=O)NCCN1CCCCC[C@H]1c1ccccc1CCO[Si](C)(C)C(C)(C)C 616629379 HRHVIITWCPUUQT-DEOSSOPVSA-N 476.778 6.693 50 10 JKGE CC1(C)C[C@H](Br)C[C@H](NC(=O)c2cc(Br)ccc2Br)C1 693897493 SZFXBSSCRVRZFY-MNOVXSKESA-N 468.027 5.284 50 10 JKGE Cl[C@H](c1ccsc1Br)c1cc(I)cc2c1OCC2 698552372 OILSBUGMERFIFP-LLVKDONJSA-N 455.542 5.378 50 10 JKGE C[C@@]12CN(Cc3ccccc3)C[C@]1(C)CN(c1ccc(F)c(Cl)c1CBr)C2 705960857 CPUBADVGWMPJSD-SZPZYZBQSA-N 451.811 5.722 50 10 JKGE Cl[C@H](c1cc2c(cc1Br)OCC2)c1scc(Br)c1Br 707812373 CJFQHLGYCUWIHA-GFCCVEGCSA-N 487.438 6.299 50 10 JKGE BrCC(CBr)(Cc1ccccc1Br)C1CCCCC1 711286216 PPPHNBNYYJMCKI-UHFFFAOYSA-N 453.056 6.348 50 10 JKGE COC[C@H](CC(CBr)(CBr)c1ccc(Br)cc1)C(C)C 721849662 BPEPYZWJKBTBQE-ZDUSSCGKSA-N 471.071 5.785 50 10 JKGE O=C(N[C@@H](CCBr)C1CCCC1)c1cc(Br)cc(Br)c1 725037205 KRDZDKFUFOWOCX-AWEZNQCLSA-N 468.027 5.285 50 10 JKGE O=C1C(=NNC(=O)C23CC4CC(CC(C4)C2)C3)c2ccccc2N1C(c1ccccc1)c1ccccc1 1083979151 JNNYJXXEAKWPKT-UHFFFAOYSA-N 489.619 5.860 50 10 JKGE O=C(NN=Cc1ccc(Oc2ccc(C(F)(F)F)cc2[N+](=O)[O-])cc1)c1cccc([N+](=O)[O-])c1 1084024295 IZJIZQLPVOLQOI-UHFFFAOYSA-N 474.351 5.078 50 10 JKGE Cc1cc(C=NNC(=O)[C@@H](C)SCc2ccccc2)c(C)n1-c1ccc(Cl)cc1Cl 1084211486 QNZPLUNVZZYASU-QGZVFWFLSA-N 460.430 6.173 50 10 JKGE COc1ccc(NCCCC(=O)NN=Cc2ccccc2OCc2cccc(Br)c2)cc1 1084446518 MNPFVANMSOXMLU-UHFFFAOYSA-N 496.405 5.379 50 10 JKGE O=C(CSc1c(Cl)c(Cl)c(Cl)c(Cl)c1Cl)NN=Cc1ccc2cccnc2c1 1084487131 MKIWYVKFWPHWJP-UHFFFAOYSA-N 493.630 6.744 50 10 JKGE CCCc1nn(-c2cccc3ccccc23)c2c1[C@H](c1ccc(O)c(OCC)c1)C(C#N)=C(N)O2 1865681216 HYSPVMANBUWZLL-RUZDIDTESA-N 466.541 5.300 50 10 JKGE CCOc1cc([C@H]2C(C#N)=C(N)Oc3c2c(CC)nn3Cc2ccc(Cl)c(Cl)c2)ccc1O 1865681672 SSYVNJJWPKMRIW-NRFANRHFSA-N 485.371 5.123 50 10 JKGE COc1ccc(-c2nn(Cc3ccc(F)cc3)c3c2[C@H](c2ccccc2F)C(C#N)=C(N)O3)cc1 1865683560 MNCLPWVFEWHPJR-HSZRJFAPSA-N 470.479 5.103 50 10 JKGE CCOc1ccc([C@@H]2C(C#N)=C(N)Oc3c2c(CC)nn3-c2ccc(Cl)cc2)cc1OCC 1865689448 SEJUSZKFCRHMBK-JOCHJYFZSA-N 464.953 5.104 50 10 JKGE COc1ccc(-c2nn(Cc3ccccc3F)c3c2[C@@H](c2cccc(F)c2)C(C#N)=C(N)O3)cc1 1865710745 GYUFGSZYSJJAJX-QHCPKHFHSA-N 470.479 5.103 50 10 JKGE CC(C)(C)c1nc(C(=O)N[C@@H](C(=O)Nc2ccc(SC#N)cc2)c2ccccc2)c2ccccn12 1866874980 IWEPOVDVFFPHJJ-JOCHJYFZSA-N 483.597 5.315 50 10 JKGE N#C/C(=C(/O)Cc1ccc(Br)cc1)c1nc(-c2ccc3c(c2)CCCC3)cs1 1872745201 DSOJZKPOAOPHGS-XDOYNYLZSA-N 451.389 6.487 50 10 JKGE COc1ccc(C(C)(C)C)cc1-c1csc(/C(C#N)=C(\O)CCN2C(=O)c3ccccc3C2=O)n1 1872751497 KRHVTGPJLVJZQF-XDOYNYLZSA-N 487.581 5.595 50 10 JKGE N#C/C(=C\c1ccccc1OCc1ccccc1Cl)c1nc(-c2ccc(F)cc2F)cs1 1872784537 SCWFUYLIMRVYGM-WOJGMQOQSA-N 464.924 7.385 50 10 JKGE BrC[C@@H](C1CC1)N(CCOc1ccc(Br)cc1)Cc1ccccc1 1915218163 XUFYNUTZYPVKRC-FQEVSTJZSA-N 453.218 5.504 50 10 JKGE O=C(Cc1cccc(Br)c1)N(Cc1ccccc1)[C@@H](CBr)C1CC1 1915276838 VCUHLASGFCTNCT-IBGZPJMESA-N 451.202 5.194 50 10 JKGE Cc1cc([C@H](Cl)c2sc(Br)cc2Br)ccc1Br 1922938450 DVKGZNISBUUPLP-NSHDSACASA-N 459.428 6.672 50 10 JKGE Clc1c(Br)sc(Br)c1[C@@H](Cl)c1occc1Br 1923055147 PPNCLKBZTYUKDM-RXMQYKEDSA-N 469.807 6.610 50 10 JKGE CC(C)[C@@H](CBr)N(Cc1ccccc1)C(=O)c1cscc1OCc1ccccc1 1934836715 WGJFFMPKKWQOKT-JOCHJYFZSA-N 472.448 6.389 50 10 JKGE Cc1sc(Br)c(C(=O)N(C)C[C@H](Br)COCc2ccccc2)c1C 1951018157 FXRHVWXPPJBCAO-HNNXBMFYSA-N 475.246 5.180 50 10 JKGE COc1cc(Br)c(C)cc1[C@@H](Br)c1ccc(Br)s1 2029252649 URZHSUNXCUGGPS-CYBMUJFWSA-N 455.009 6.074 50 10 JKGE COc1cc(-c2cc(C(=O)NN=CC=Cc3ccccc3)n[nH]2)ccc1OCc1ccccc1 2040470066 CFCFRXDZSTUINP-UHFFFAOYSA-N 452.514 5.093 50 10 JKGE FC1(F)[C@@H]2COC[C@@]21[C@H](Cl)c1c(Br)sc(Br)c1Br 2043521484 RFGXECFVFPXUNQ-FROZIPMSSA-N 487.385 5.597 50 10 JKGE CC[C@H]1CN(C(=O)OCc2ccccc2)[C@@H](CC)CN1CC(CC)(CC)CBr 2044626846 LXYWLSYPCQYYNE-SFTDATJTSA-N 453.465 5.699 50 10 JKGE C[C@@H]1CCCN(Cc2ccc(Br)cc2Br)[C@@H]1CCBr 2092264991 GAQJUJCCVGKCNN-IAQYHMDHSA-N 454.044 5.597 50 10 JKGE COc1ccc(Br)cc1[C@H](Cl)c1cccc(Br)c1Br 2092327923 GZQPTRGXRMOOFF-CQSZACIVSA-N 469.398 6.311 50 10 JKGE Cc1scnc1CC(CBr)(CBr)c1cccc(Br)c1 2096498633 DLFCEHIKITWRKR-UHFFFAOYSA-N 468.052 5.484 50 10 JKGE COc1ccc(C)c([C@H](Cl)c2c(Br)sc(Br)c2Br)c1 2109591088 RPIVDEVCDBIAPO-NSHDSACASA-N 489.454 6.681 50 10 JKGE Fc1cc([C@@H](Cl)c2cc(I)ccc2F)c(F)cc1Br 2113357230 CYWRLPKTOOWMBK-ZDUSSCGKSA-N 461.446 5.799 50 10 JKGE FC1(F)C2(CC2)C12CC([C@H](Br)c1sc(Br)cc1Br)C2 2127498845 DWZQPNBQIBZLOC-HTARLIKDSA-N 477.006 6.535 50 10 JKGE COc1cc(F)c([C@H](Br)c2cc(C)sc2Br)cc1Br 2138148519 PDXYHXAEHUCMGE-LBPRGKRZSA-N 472.999 6.214 50 10 JKGE COc1c(Br)cc(C)cc1[C@H](Br)c1cc(C)c(Br)o1 2139015645 UUFTURSEZVUGQW-LBPRGKRZSA-N 452.968 5.914 50 10 JKGE Cc1cc([C@@H](Br)Cc2ccc(Cl)c(Cl)c2)ccc1I 2142106417 MDEABOVCOOHTIX-LBPRGKRZSA-N 469.975 6.585 50 10 JKGE COc1cccc(C[C@H](Cl)c2ccc(Br)cc2I)c1 2142279340 OVUHQFVRGORLFT-AWEZNQCLSA-N 451.529 5.585 50 10 JKGE Cc1cccc(OCc2ccc(I)c(Cl)c2)c1CBr 2142950622 SSZYDIOYHDKZMQ-UHFFFAOYSA-N 451.529 5.727 50 10 JKGE CC(C)(C)c1ccc([C@H](Br)c2c(Br)cccc2Br)cc1 2150493317 KWYXFISIAGFWFS-INIZCTEOSA-N 461.035 6.993 50 10 JKGE O=C(c1ccc(Br)cc1Br)N1CC[C@@H](Br)CC12CCC2 2169890235 VWNMAXXPPBHRNK-LLVKDONJSA-N 466.011 5.134 50 10 JKGE CC1(C)CCC[C@@](CBr)(Cc2cc(Br)ccc2Br)CC1 2175150134 PWBJGQSQBOKKIE-KRWDZBQOSA-N 467.083 7.126 50 10 JKGE Fc1cc(Br)c([C@H](Cl)c2cccc(F)c2I)c(F)c1Cl 2201613331 ASIOITCOZWKYQP-SNVBAGLBSA-N 495.891 6.453 50 10 JKGE CCn1ncc(Br)c1[C@@H](Br)c1c(Br)cc(F)c(Cl)c1F 2201616217 VUZJILFZJXTBAX-VIFPVBQESA-N 493.371 5.844 50 10 JKGE FCCOc1cccc([C@@H](Br)c2ccc(Br)cc2Br)c1 2203705684 OQYPARDWGQSSAY-OAHLLOKOSA-N 466.970 6.044 50 10 JKGE Cl[C@@H](Cc1nc2ccccc2s1)c1ccc(Br)cc1I 2207266585 BBGDMQZAZQTOBQ-NSHDSACASA-N 478.580 6.186 50 10 JKGE Fc1cc(F)c([C@H](Br)c2sccc2Br)c(F)c1Br 2220500764 UOHSHLYJFCBJHK-VIFPVBQESA-N 464.926 6.175 50 10 JKGE Fc1cc2nc(CCl)n(C[C@H]3CC3(Br)Br)c2cc1Br 2224806277 PMUHHQYXZHXSSQ-ZCFIWIBFSA-N 475.381 5.183 50 10 JKGE CO[C@@H]1CC[C@H]([C@@H](Br)c2c(Br)cc(C)c(Br)c2C)C1 2227349735 DSBOBYUUHCLETM-FIXISWKDSA-N 455.028 6.080 50 10 JKGE CC1(C)CN(C(=O)c2cc(Br)sc2Br)C[C@@H]1CCBr 2230145895 WGNQYVIUYJIGTG-QMMMGPOBSA-N 474.056 5.156 50 10 JKGE Fc1cc(Br)c(Br)cc1[C@@H](Br)c1cc(Cl)cc(F)c1F 2233974649 GGMZCEJOLPTSBC-GFCCVEGCSA-N 493.342 6.767 50 10 JKGE Cc1sc([C@@H](Br)c2cc(Br)c3c(c2)CCO3)c(C)c1Br 2234462952 CISSVXOYRCACIJ-ZDUSSCGKSA-N 481.047 6.309 50 10 JKGE COc1cc(Br)c([C@@H](Br)c2cc(C)cc(Br)c2)cc1C 2236006995 HGKJLGUDLYVDJV-INIZCTEOSA-N 463.007 6.321 50 10 JKGE Brc1coc([C@@H](Br)c2cc(I)cc3c2OCC3)c1 2258145624 ADVXVAWHOHZEGN-LBPRGKRZSA-N 483.925 5.066 50 10 JKGE Cc1scc([C@@H](Br)Cc2cc(Br)cc(Br)c2)c1C 2263518371 CTLUEFSSTMXVOF-AWEZNQCLSA-N 453.037 6.569 50 10 JKGE Fc1ccc([C@H](Br)c2c(F)cccc2I)c(F)c1Cl 2267663807 SDWUZQYZFXZQLJ-NSHDSACASA-N 461.446 5.846 50 10 JKGE COc1ccc(Br)cc1[C@H](Br)c1cccc(Cl)c1Br 2267972239 WGXCKCCGRBTELE-CYBMUJFWSA-N 469.398 6.358 50 10 JKGE Cc1cc([C@@H](Br)c2ccc(Cl)c(I)c2)c(C)cc1Cl 2268276604 ILGGAMNCTIHTKC-HNNXBMFYSA-N 469.975 6.699 50 10 JKGE COc1ccc([C@H](Cl)c2ccc(F)c(Br)c2)cc1I 2269538616 BNKZPSXBSIRXBA-CQSZACIVSA-N 455.492 5.530 50 10 JKGE COc1ccc([C@@H](Cl)c2ccc(Cl)c(Br)c2)cc1I 2269545605 MKMXZCJZFYRYKV-AWEZNQCLSA-N 471.947 6.044 50 10 JKGE CC1CC2(C1)CC(CBr)(Cc1ccc(I)c(Cl)c1)C2 2272090297 QPDTXORNSKPIIA-UHFFFAOYSA-N 453.589 6.079 50 10 JKGE Fc1cc(Br)c(F)c(Br)c1[C@H](Cl)c1scc(Cl)c1Cl 2272722807 VFTXDNYQOQLEHF-VIFPVBQESA-N 471.375 7.186 50 10 JKGE Fc1cc(C[C@@H](Br)c2cccc(F)c2I)ccc1Cl 2277908560 BAFVYSWKMLRZNW-SNVBAGLBSA-N 457.483 5.902 50 10 JKGE FC1(F)CC[C@@H]2[C@H]([C@@H](Br)Cc3cc(Br)cc(Br)c3)[C@@H]21 2277946953 FNKDFZYVPSYWHR-YVECIDJPSA-N 458.966 5.809 50 10 JKGE CN(CCCCCCCCCBr)Cc1cccc(I)c1 2280349109 HWXGIXNRWVCATQ-UHFFFAOYSA-N 452.218 5.849 50 10 JKGE COc1ccc([C@H](Br)c2nn(C)c(Cl)c2Cl)c(Br)c1Cl 2283561386 MBSKLJPOYMLAPV-QMMMGPOBSA-N 463.384 5.636 50 10 JKGE COc1ccc([C@H](Br)c2cc3c(s2)CCSC3)cc1I 2285009026 LNLNTFPBBKKYIZ-HNNXBMFYSA-N 481.218 5.635 50 10 JKGE Fc1cccc(Br)c1COc1c(Br)cc(Br)cc1CCl 2289747821 DODFDRZTFZNNAG-UHFFFAOYSA-N 487.388 6.431 50 10 JKGE Cc1ccc(C[C@H]2SC(=C(C#N)C(=O)Nc3ccc(Cl)cc3)N(c3ccc(C)cc3)C2=O)cc1 2293039213 PWTVLFKMSBQHQK-XMMPIXPASA-N 488.012 6.022 50 10 JKGE Fc1ccc([C@H](Br)Cc2cc(Br)cc(Br)c2)c(F)c1Cl 2295278356 AWWXQWSRJJFVMQ-LLVKDONJSA-N 489.379 6.822 50 10 JKGE Cc1ccc(NC=C(C#N)c2nc(-c3cc4cc(Br)ccc4oc3=O)cs2)c(C)c1 2295894344 OJXLINJGUYLJLW-UHFFFAOYSA-N 478.371 6.272 50 10 JKGE N#CC(C1=N[C@H](c2ccccc2)[C@H](c2ccccc2)O1)=C1N[C@@H](c2ccccc2)[C@@H](c2ccccc2)O1 2296602451 MMDOSCUBNVZLAW-KJHMZRPRSA-N 483.571 6.735 50 10 JKGE COc1cc(C=C(C#N)c2nc(-c3ccc(C)cc3C)cs2)ccc1OCC(=O)c1ccccc1 2296790030 KDQKUTJSLJRZKE-UHFFFAOYSA-N 480.589 6.761 50 10 JKGE CC(C)(C)c1ccc(Oc2ccc(C=C(C#N)C(=O)NCCc3ccccc3)cc2[N+](=O)[O-])cc1 2297381911 WLMIDHPOJAILHV-UHFFFAOYSA-N 469.541 5.950 50 10 JKGE C[C@@H]1OCC[C@H]1C[C@H](Br)c1cc(Br)ccc1OCc1ccccc1 2299505550 XTKAALBDUGBOLY-QOKNQOGYSA-N 454.202 6.279 50 10 JKGE C[C@@H]1C[C@H](C[C@@H](Br)c2cc(Br)ccc2OCc2ccccc2)CO1 2299534802 HVILYXJRGJEZJI-IDHHARJASA-N 454.202 6.279 50 10 JKGE CC[C@H](Br)CN(Cc1ccccc1)Cc1c(OC)ncc(Br)c1C 2303048787 CRVJVSWYDAOLHG-INIZCTEOSA-N 456.222 5.337 50 10 JKGE N#CC(=Cc1ccc(OCc2ccc(Cl)cc2)cc1)C(=O)Nc1cccc(Cl)c1Cl 2313571462 WWLPFCYLTQQTFV-UHFFFAOYSA-N 457.744 6.771 50 10 JKGE CC1(C)CC12CC([C@@H](Br)c1cc(Br)ccc1OCc1ccccc1)C2 2314438833 BYDPXZRTLIGGFE-PWOUQQLPSA-N 464.241 7.290 50 10 JKGE CC1(C)CCC[C@H]([C@@H](Br)c2ccc(OCc3ccccc3)cc2Br)C1 2314439902 KYAHHDKNCQTOBE-LAUBAEHRSA-N 466.257 7.681 50 10 JKGE CCOC(=O)c1c(NC(=O)C(C#N)=Cc2ccc3noc(-c4ccccc4)c3c2)sc2c1CCCC2 2314489772 VOZCAWVGZBQXQL-UHFFFAOYSA-N 497.576 6.157 50 10 JKGE CCCCCN1C(=O)C(=Cc2ccc(OCc3ccc(F)cc3)c(OCC)c2)C(C)=C(C#N)C1=O 2314610396 HODOTGCPYHMPGN-UHFFFAOYSA-N 476.548 5.586 50 10 JKGE C[C@@]1([C@H](Br)c2c(Cl)cc(Br)c(F)c2Br)CCCO1 2315457959 HURAQJXABZHSLU-NEPJUHHUSA-N 465.382 6.009 50 10 JKGE N#CC(=CNc1c(Cl)cccc1Cl)C(=O)N1CCN(C(c2ccccc2)c2ccccc2)CC1 2324609686 KHRJPVHQJNVUOM-UHFFFAOYSA-N 491.422 5.747 50 10 JKGE N#CC(=CN(Cc1ccccc1)Cc1ccccc1)C(=O)Nc1ccccc1Sc1ccccc1 2325338908 OVSVSFRDYAGGTK-UHFFFAOYSA-N 475.617 6.886 50 10 JKGE Cc1c(Br)sc([C@@H](Br)[C@H]2C[C@@H](C(F)(F)F)C2)c1Br 2327681360 KPFJHDWLULDOOK-BBVRLYRLSA-N 470.974 6.606 50 10 JKGE CC(=Cc1ccccc1Cl)C(=O)N[C@H](Cc1ccc(F)cc1)C(=O)Nc1ccc(SC#N)cc1 2330467364 ZHJSXVVZCJNPCB-XMMPIXPASA-N 493.991 5.822 50 10 JKGE N#CC(=C(O)CCCOc1ccccc1Cl)c1nc(-c2cccc(Br)c2)cs1 2331278813 JLSHKLLSHZQWRD-UHFFFAOYSA-N 475.795 6.878 50 10 JKGE COc1cc(-c2csc(C(C#N)=C(O)C=Cc3ccccc3Cl)n2)c(OC)cc1Cl 2331377029 ZTQHYNIKVPYBPL-UHFFFAOYSA-N 459.354 6.640 50 10 JKGE COc1cc(C=CC(O)=C(C#N)c2nc(-c3ccc(OC)c4ccccc34)cs2)ccc1OC(C)=O 2331406474 QGWLAYHENUMUPI-UHFFFAOYSA-N 498.560 6.412 50 10 JKGE CCCCCOc1ccc(C=C(C#N)c2nc(-c3cc(C(C)(C)C)ccc3OC)cs2)cc1 2331461145 PICOMKVIMZNRTA-UHFFFAOYSA-N 460.643 7.749 50 10 JKGE Cc1csc([C@H](Cl)c2c(F)cc(Cl)c(Br)c2Cl)c1Br 2335290154 NWQWQBMYAOSZRT-LLVKDONJSA-N 467.412 7.356 50 10 JKGE CSC1CC(CC(CBr)(CBr)c2ccc(Br)cc2)C1 2335776082 KGDHWHXLLBEKFA-UHFFFAOYSA-N 471.096 6.008 50 10 JKGE Brc1ccc(OCc2ccccc2)c([C@@H](Br)[C@H]2C[C@H]3CCC[C@H](C3)C2)c1 2336075299 OBOLNEKMYVBXAB-YWNPBTLJSA-N 478.268 7.681 50 10 JKGE Fc1cc(F)c([C@H](Br)c2c(Cl)sc(Br)c2Cl)cc1F 2336115513 LXCHBIMHHWAACQ-QMMMGPOBSA-N 454.920 6.719 50 10 JKGE CO[C@@H]1CC[C@H]1C[C@H](Br)c1c(Cl)cc(Br)c(F)c1Br 2337098696 RQDMBOSCHIAWRO-MHYGZLNHSA-N 479.409 6.255 50 10 JKGE COc1c(Br)cc(C)c([C@H](Br)[C@H]2CC[C@H](F)C2)c1Br 2339656307 MNQGMNVXGFBWIP-HOTUBEGUSA-N 458.991 6.103 50 10 JKGE COc1c(Br)cc(C)c([C@H](Br)[C@]2(C)CC2(F)F)c1Br 2339689628 DWJCCERVYRKVBO-RYUDHWBXSA-N 462.954 6.010 50 10 JKGE Clc1cc(Cl)cc(CC[C@@H](Br)c2cccc(OCc3ccccc3)c2)c1 2341185152 ZSRDJXZZWBBWDG-JOCHJYFZSA-N 450.203 7.641 50 10 JKGE ClCc1cccc(Cl)c1OCc1ccc(I)c(Br)c1 2349805415 HRVGJZFSCKMOCC-UHFFFAOYSA-N 471.947 6.025 50 10 JKGE CC1(C)OCCO[C@@H]1[C@H](Br)c1c(Cl)cc(Br)c(F)c1Br 2362233338 ZGXPCPZAJCZZHH-ZYHUDNBSSA-N 495.408 5.634 50 10 JKGE COc1cc(CBr)ccc1OCc1ccc(Cl)c(I)c1 2362427803 ODCXGYJUOYWLMI-UHFFFAOYSA-N 467.528 5.427 50 10 JKGE COc1c(Br)cc(C)c([C@@H](Br)[C@]23C[C@H](CCO2)C3)c1Br 2365192639 CYFSNQDGHAOLJK-ZWZTZDBGSA-N 469.011 5.534 50 10 JKGE COc1ccc(N(C(=O)CCl)[C@H](C(=O)NC2CCCCC2)c2cccs2)cc1Cl 3034941 KBKXZZVCONLGAX-FQEVSTJZSA-N 455.407 5.172 50 10 JKGE CCSc1ccsc1[C@H]1C(C#N)=C(N)N(c2cccnc2)C2=C1C(=O)C[C@@H](c1ccccc1)C2 9981741 LRVRQYLSLHVDOF-UUOWRZLLSA-N 484.650 5.954 50 10 JKGE COc1ccc(/C(C#N)=C\c2cccc(OC(=O)c3cc4ccccc4oc3=O)c2)cc1OC 31902968 SWJVISBUSNNACK-NDENLUEZSA-N 453.450 5.094 50 10 JKGE N#C/C(=C\c1ccccc1Br)c1ccc(/C(C#N)=C\c2ccccc2Br)cc1 33771003 IKILYVNJZFEPMG-VOKWCDJLSA-N 490.198 7.340 50 10 JKGE CCOc1ccc(NC(=O)/C(C#N)=C/c2cn(-c3ccccc3)nc2-c2ccc(SCC)cc2)cc1 35445856 HJYCHUCFBFDEHQ-RELWKKBWSA-N 494.620 6.596 50 10 JKGE CCCOc1cccc(C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@@H]3c2ccc(Cl)cc2)c1 38651397 GYOBBXKIFXQEPE-XMMPIXPASA-N 460.917 5.566 50 10 JKGE N#CC1=C(N)Oc2cc(OC(=O)COc3ccc(Cl)cc3)ccc2[C@@H]1c1cccc2ccccc12 38657672 BMOYOVRPMBPWIO-MHZLTWQESA-N 482.923 5.696 50 10 JKGE N#CC1=C(N)Oc2cc(OC(=O)c3cccc(Cl)c3)ccc2[C@@H]1c1cccc2ccccc12 38657905 WWHBUWRGGVKUGJ-VWLOTQADSA-N 452.897 5.931 50 10 JKGE O=C(/C=C/c1ccccc1)N/N=C1\C(=O)N(Cc2ccccc2Cl)c2ccc(Br)cc21 40846217 MKDOHVKCFPRKAI-ATKHPNOGSA-N 494.776 5.183 50 10 JKGE CCCOc1ccc(C(=O)Oc2ccc(/C=N/NC(=O)c3ccc(C(C)(C)C)cc3)cc2)cc1 48573792 YRGKSVRBCIDYRQ-VUTHCHCSSA-N 458.558 5.756 50 10 JKGE CC(C)(c1ccccc1)c1ccc(OCC(=O)N/N=C/c2cccc(Oc3ccccc3)c2)cc1 59147072 YYWDBWHZCYIIOL-NJZRLIGZSA-N 464.565 6.334 50 10 JKGE Cc1ccc(C(C)C)c(OCC(=O)N/N=C/c2ccc(Oc3ccc([N+](=O)[O-])cc3[N+](=O)[O-])cc2)c1 59166336 RJSQFMDZRIRLQB-VULFUBBASA-N 492.488 5.256 50 10 JKGE COc1cccc(C(=O)N/N=C\c2ccc(Oc3ccc(C(F)(F)F)cc3[N+](=O)[O-])c(OC)c2)c1 59462973 UJSOPBIHKIEHPR-WKIKZPBSSA-N 489.406 5.187 50 10 JKGE Cc1cc(-c2ccccc2)nc(SSc2nc(-c3ccccc3)cc(C)c2C#N)c1C#N 80766852 JZSVLKSFLOGKJB-UHFFFAOYSA-N 450.592 6.970 50 10 JKGE CCOc1ccc(N2C(=O)[C@@H](Cc3cccc(C)c3)S/C2=C(/C#N)C(=O)Nc2ccccc2C)cc1 101245162 QEUCOSZTNZAVAR-SCHJHDHGSA-N 497.620 5.767 50 10 JKGE CC1=C(C#N)C(=O)N(C2CCCCC2)C(=O)/C1=C/c1ccc(-c2ccc(Br)cc2)o1 101339042 SCROQWWDYCMUCJ-DEDYPNTBSA-N 465.347 5.634 50 10 JKGE Clc1ccccc1C[C@H](Br)c1cc(Br)ccc1Br 104038262 GUCLMKCVWIHCCA-ZDUSSCGKSA-N 453.399 6.544 50 10 JKGE N#C/C(=C(\O)c1ccc(S(=O)(=O)N2CCCC2)cc1)c1nc2cc(C(F)(F)F)ccc2s1 105737205 LEBYBFAVLKBSBP-KNTRCKAVSA-N 479.505 5.049 50 10 JKGE COc1c(Br)cc(Cl)cc1[C@H](Br)c1ccccc1Br 109836401 SKQBFZYRDRTJGU-CYBMUJFWSA-N 469.398 6.358 50 10 JKGE COc1cc(Br)c([C@H](Br)c2ccc(Br)cc2C)cc1OC 109860153 UHUZKNAVOOQSSA-MRXNPFEDSA-N 479.006 6.022 50 10 JKGE CC(C)(C)c1ccc([C@@H](Br)c2cc(Br)c(Br)s2)cc1 128225463 HSNXROUGYSATSW-CYBMUJFWSA-N 467.064 7.055 50 10 JKGE COc1cc(/C=C(/C#N)c2ccccc2)ccc1OC(=O)COc1ccc(C(C)(C)CC(C)(C)C)cc1 145983441 BSVIWVMWWCHQOA-BWAHOGKJSA-N 497.635 7.458 50 10 JKGE CCCCOc1ccccc1[C@@H]1C(C#N)=C(N)Oc2cc(OC(=O)/C=C\c3ccc(OC)cc3)ccc21 205655799 LUULDDJEPQJEHY-FWDUINFSSA-N 496.563 5.711 50 10 JKGE CCCCCCOc1ccc(/C=C(/C#N)C(=O)Nc2ccccc2C(=O)OCC)cc1OC 206237099 MKLWSXLJMKPQPB-SILNSSARSA-N 450.535 5.377 50 10 JKGE CCOc1ccc(C)cc1[C@@H](C)NC(=O)/C(C#N)=C\Nc1ccc(I)cc1C 217184617 WYIBAFQYEWEUKZ-UDLNKVAWSA-N 489.357 5.004 50 10 JKGE COc1ccc([C@@H](C)N/C=C(/C#N)C(=O)Nc2ccccc2Sc2ccccc2)cc1OC 217243447 WJJPZYRGVAIJGC-FBKQIBBUSA-N 459.571 5.552 50 10 JKGE C[C@@H]1CCCC[C@@H]1NC(=O)[C@H](c1ccccc1Cl)N(C(=O)CCl)c1ccc(F)cc1 230275333 ALPWTEAKOMOWJK-PDXHDDNESA-N 451.369 5.487 50 10 JKGE CC(C)(C)c1ccc([C@@H](Br)c2ccc(I)c(Cl)c2)s1 232344960 DVYFNKFUYBBCJF-AWEZNQCLSA-N 469.613 6.788 50 10 JKGE O=C(CCCCBr)Nc1c(Br)cc(Br)cc1Br 232466751 QJLDCUYCDZKIHF-UHFFFAOYSA-N 492.831 5.478 50 10 JKGE CC(C)Oc1ccc([C@H](Br)c2ccc(Br)cc2Br)cc1 232688598 LSCGPOSQDCFMNT-INIZCTEOSA-N 463.007 6.483 50 10 JKGE COc1cc(F)c(Br)cc1[C@H](Br)c1cccc(Br)c1F 234915599 LGBUFXJOCWLDJT-CYBMUJFWSA-N 470.933 5.983 50 10 JKGE Clc1ccc([C@H](Br)c2cc(Br)cc(Br)c2)c(Cl)c1 236066096 XBRYHYWKGJDALG-CYBMUJFWSA-N 473.817 7.003 50 10 JKGE Fc1cccc(Cl)c1COc1c(Br)cc(CBr)cc1Br 236141643 GMVQFNOKIYPFNL-UHFFFAOYSA-N 487.388 6.478 50 10 JKGE CC(=NNC(=O)c1ccc(Cl)s1)c1ccc(NC(=O)COc2ccc(Cl)cc2)cc1 252622121 NPHNUYYZULBYOO-UHFFFAOYSA-N 462.358 5.226 50 10 JKGE COc1ccc(C(=O)NN=Cc2cc(Cl)c(OCc3ccccc3Cl)c(OC)c2)cc1 252625039 QBOFZQWMBRSXKK-UHFFFAOYSA-N 459.329 5.354 50 10 JKGE CCOc1ccc(C(=O)NN=Cc2cn(-c3cccc4ccccc34)nc2-c2ccccc2)cc1 252636777 XMTIJGKEYCUQMQ-UHFFFAOYSA-N 460.537 5.855 50 10 JKGE CCOc1cc(C=NNC(=O)NC2CCCCC2)ccc1OCCOc1ccc([C@H](C)CC)cc1 254441685 SARQAJXRCKPLNH-OAQYLSRUSA-N 481.637 6.022 50 10 JKGE Cc1onc(-c2c(Cl)cccc2Cl)c1NC(=O)NN=Cc1cc(Cl)cc(Cl)c1O 254715602 QWLLTGMQFUSKQQ-UHFFFAOYSA-N 474.131 6.125 50 10 JKGE Brc1ccc([C@H]2CN(Cc3ccccc3)C[C@H]2CI)s1 382732629 VICYAFXTHMNVDW-KGLIPLIRSA-N 462.194 5.161 50 10 JKGE Cc1cc(Br)c([C@H](Br)[C@H]2CCCCC2(F)F)cc1Br 392933528 QKDZPYJGYFUSBG-MFKMUULPSA-N 460.982 6.782 50 10 JKGE Cc1ccc([C@H](Br)c2cc(Br)sc2Br)cc1C(F)(F)F 692739609 JRARWCSAUWIOPM-NSHDSACASA-N 492.980 7.085 50 10 JKGE Cn1c(Cl)cnc1CC(CBr)(CBr)c1ccccc1Br 700225993 AHGFGEQKBQKDRO-UHFFFAOYSA-N 485.445 5.106 50 10 JKGE C[C@@H]1Cc2cc([C@@H](Cl)c3ccc(I)c(Br)c3)ccc2O1 721613318 LAEBCIPTUSZRMX-JDNHERCYSA-N 463.540 5.705 50 10 JKGE CC(=O)[C@@]1(O)CC[C@H]2[C@@H]3C[C@@H](C)C4=CC(=O)C=C(O[Si](C)(C)C(C)(C)C)[C@]4(C)[C@H]3[C@H](O)C[C@@]21C 888085759 LFEZZFSKYNHYMM-IQUTUPFGSA-N 488.741 5.181 50 10 JKGE COc1cccc(COc2ccccc2C=NNC(=O)c2ccccc2OCc2ccccc2)c1 1084027154 BZUDLQBEOYQMBT-UHFFFAOYSA-N 466.537 5.617 50 10 JKGE C=CCc1cc(C=NNC(=O)c2ccc(-n3c(C)ccc3-c3ccccc3)cc2)cc(OCC)c1OC 1084209948 ALVISXOELSTREL-UHFFFAOYSA-N 493.607 6.352 50 10 JKGE CCCCCCCCCCOc1ccc(C(=O)NN=Cc2cccc(Oc3ccccc3)c2)cc1 1084529019 BZOCYYWGWVMMKA-UHFFFAOYSA-N 472.629 7.762 50 10 JKGE CC(=NNC(=O)c1ccc(NC(=O)c2cccc(C)c2)cc1)c1ccc(Br)cc1 1084534375 FUSGVSPUNCQZFC-UHFFFAOYSA-N 450.336 5.164 50 10 JKGE CC(C)(c1ccccc1)c1ccc(OCC(=O)NN=Cc2cc([N+](=O)[O-])ccc2Cl)cc1 1084613171 UPELBEIWAWNNQY-UHFFFAOYSA-N 451.910 5.103 50 10 JKGE CC(C)(C)OC(=O)N1C[C@H](c2cccc(C(F)(F)F)c2)[C@@H](CI)C1 1614810044 KJBWSYLJFLCNQP-GXTWGEPZSA-N 455.258 5.091 50 10 JKGE Cc1c(C(=O)Nc2ccc(Cl)cc2)oc2c1C(=NNC(=O)c1ccc(Cl)cc1Cl)CCC2 1772749285 ZGAXEWYAPAIURZ-UHFFFAOYSA-N 490.774 6.271 50 10 JKGE C=CCOc1ccccc1[C@H]1C(C#N)=C(N)Oc2c1c(C(F)(F)F)nn2Cc1ccccc1Cl 1865690898 DRMDLLJQTBNAAD-IBGZPJMESA-N 486.881 5.387 50 10 JKGE CCCOc1ccc([C@@H]2C(C#N)=C(N)Oc3c2c(CCC)nn3Cc2ccccc2F)cc1OCC 1865691660 XYNJMMCTAZVUML-RUZDIDTESA-N 490.579 5.429 50 10 JKGE CCOc1ccc([C@H]2C(C#N)=C(N)Oc3c2c(CC)nn3Cc2ccc(Cl)c(Cl)c2)cc1 1865695560 PYIYONMXBBNJPZ-NRFANRHFSA-N 469.372 5.417 50 10 JKGE N#CC1=C(N)Oc2c(c(C(F)(F)F)nn2-c2cccc(Cl)c2)[C@@H]1c1c[nH]c2ccccc12 1865700562 XMDUJDDQTXVEGS-KRWDZBQOSA-N 455.827 5.244 50 10 JKGE CCc1nn(-c2ccccc2)c2c1[C@@H](c1c(OCc3ccccc3)ccc3ccccc13)C(C#N)=C(N)O2 1865704344 TWNHJJVIQDFJKF-GDLZYMKVSA-N 498.586 6.385 50 10 JKGE N#CC1=C(N)Oc2c(c(-c3ccccc3)nn2Cc2cccc(Cl)c2)[C@H]1c1ccc([N+](=O)[O-])cc1 1865712691 FOIAEXVKESSIRD-QFIPXVFZSA-N 483.915 5.378 50 10 JKGE Cc1cc(OCc2ccc(CCl)cc2)cc2c1C(=O)/C(=C/c1cc(Cl)cc3c1OCOC3)O2 1871436695 LPGRXOFAVQPVPC-AQHIEDMUSA-N 483.347 6.449 50 10 JKGE Cc1c(OCc2ccc(CCl)cc2)ccc2c1O/C(=C\c1ccc(Br)cc1)C2=O 1871436739 NKENCKQMNMIRTF-UUYOSTAYSA-N 469.762 6.692 50 10 JKGE CCOc1cc(/C=C(\C#N)c2nc(O)c3ccc(C(=O)OC)cc3n2)ccc1OCc1ccc(C)cc1 1872728606 LCROXJUJFSXKAM-LPYMAVHISA-N 495.535 5.472 50 10 JKGE COc1ccc(-c2csc(/C(C#N)=C(\O)c3cccc(Oc4ccccc4)c3)n2)cc1OC 1872745568 TWTCVZJXTCYZNU-DAFNUICNSA-N 456.523 6.569 50 10 JKGE CC(C)c1ccc(O[C@@H](C)/C(O)=C(\C#N)c2nc(-c3ccc(Br)cc3)cs2)cc1 1872746478 JTYRDTLFXLSEOX-FOVZNYCQSA-N 469.404 6.956 50 10 JKGE COc1ccc(-c2csc(/C(C#N)=C(\O)Cc3ccc(OCc4ccccc4)cc3)n2)c(OC)c1 1872755302 HOVYOPPVPKJEHQ-LCUIJRPUSA-N 484.577 6.442 50 10 JKGE COc1ccc(-c2csc(/C(C#N)=C/c3ccc(OCc4ccccc4C)cc3)n2)c(C)c1C 1872792624 IQTJPMQXLLAGHQ-BUVRLJJBSA-N 466.606 7.387 50 10 JKGE CCCCCOc1ccc(/C=C(\C#N)c2nc(-c3ccc(OCC)cc3OCC)cs2)cc1 1872793693 OMFZOFNXYZUDSJ-LTGZKZEYSA-N 462.615 7.241 50 10 JKGE CCCOc1ccc(-c2csc(/C(C#N)=C(\O)c3ccc(Cl)cc3[N+](=O)[O-])n2)cc1OCCC 1872818007 IANAQXOIPQYZIR-NKFKGCMQSA-N 499.976 6.899 50 10 JKGE Cc1cc(-c2csc(/C(C#N)=C(\O)CCCN3C(=O)c4cccc([N+](=O)[O-])c4C3=O)n2)ccc1F 1873920600 JNVADQTVAONOKX-SILNSSARSA-N 492.488 5.035 50 10 JKGE CN(C[C@@H](Br)COCc1ccccc1)c1ncc(Br)c2ccsc12 1916332857 LSPLGLJQIRSNDH-CQSZACIVSA-N 470.230 5.475 50 10 JKGE Fc1ccc(Br)cc1[C@@H](Cl)c1c(Br)sc(Br)c1Cl 1923040866 XKPUYAHOUGTNGT-MRVPVSSYSA-N 497.836 7.156 50 10 JKGE CCC[C@@H](CC(C)C)[C@@H](Br)c1c(Br)sc(Br)c1Cl 1923050310 SOAKYAZMHNDWCB-WCBMZHEXSA-N 481.519 7.825 50 10 JKGE Fc1ccc(Cl)cc1[C@H](Br)c1c(Br)sc(Br)c1Cl 1923054138 AWFCJIRBWUSTLQ-QMMMGPOBSA-N 497.836 7.203 50 10 JKGE CC1(C)CCCO[C@@H]1COc1c(Br)cc(Br)cc1CBr 1923821124 MHMDDCBXMYTGRE-CYBMUJFWSA-N 471.027 5.691 50 10 JKGE C[C@@](CBr)(Cc1cccc(Br)c1Br)C1CCCCC1 1923890350 JDYUFOCCGKNNFP-INIZCTEOSA-N 453.056 6.736 50 10 JKGE C[C@H](c1ccncc1Br)[C@H](Br)c1cccc(OCc2ccccc2)c1 1924042961 GQCNSMQAPJXMJX-VFNWGFHPSA-N 461.197 6.663 50 10 JKGE CCc1nc([C@@H](Br)c2cc(Cl)c(Br)s2)c(Br)s1 2003570381 SUINRUSOEDRINS-ZETCQYMHSA-N 480.472 6.430 50 10 JKGE O=C(c1cc(I)ccc1F)N(Cc1ccccc1)C1(CCl)CCC1 2003648693 AQCNVBDYOTZTHT-UHFFFAOYSA-N 457.714 5.234 50 10 JKGE Cc1cc([C@@H](Br)c2sc(Br)cc2C)ccc1I 2026130211 CTRRGVCDXRWOHX-GFCCVEGCSA-N 486.010 6.216 50 10 JKGE CCc1cc(Br)c([C@@H](Cl)c2cc(Br)ccc2Br)s1 2029238990 LFLUMXAAPZBFOK-LBPRGKRZSA-N 473.455 6.926 50 10 JKGE CCc1sc(Br)cc1[C@@H](Br)c1cc(F)cc(Br)c1 2030218533 GVVQXJKLJRRVSP-ZDUSSCGKSA-N 457.000 6.459 50 10 JKGE CC(C)(C)[C@H](C[C@@H](Br)c1sc(Br)cc1Br)C(F)F 2048744198 MUTXUNFOLSLKFJ-RNFRBKRXSA-N 469.027 7.027 50 10 JKGE Brc1ccc([C@@H](Br)c2ccc(CC3CC3)s2)c(Br)c1 2087639419 FHTPVFPRYXAYKA-OAHLLOKOSA-N 465.048 6.710 50 10 JKGE Cc1cc(Br)c(F)c([C@@H](Br)Cc2ccc(Br)cc2)c1 2089373874 BNLWVQRSVBVYKC-ZDUSSCGKSA-N 450.971 6.338 50 10 JKGE C[C@@H]1Cc2cc([C@H](Br)c3nscc3Br)cc(Br)c2O1 2090470554 PBSSHKZVQUENHN-KBUNVGBDSA-N 468.008 5.476 50 10 JKGE COc1c(C)cc([C@H](Br)c2csc(Br)c2Br)cc1C 2093941932 GJUSMWYDXYGQRY-NSHDSACASA-N 469.036 6.383 50 10 JKGE BrC[C@]1(Cc2c(Br)cccc2Br)CCC=CCCC1 2094100811 WBBIAOHFLKTIHH-MRXNPFEDSA-N 451.040 6.656 50 10 JKGE CCn1ncc(Br)c1[C@H](Br)c1cc(Br)c(Cl)cc1F 2097826554 FSEPDSJPNXMJEG-LLVKDONJSA-N 475.381 5.705 50 10 JKGE Cc1cccc([C@@H](Br)c2cc(Br)c(Cl)cc2F)c1Br 2097835823 VFNGDRWVZIWDGG-CQSZACIVSA-N 471.389 6.797 50 10 JKGE Cc1cc(Br)c([C@H](Br)[C@@]2(C)C[C@H]2C(F)(F)F)cc1Br 2100652366 BKAUEINLXCMHOJ-WOPDTQHZSA-N 464.945 6.545 50 10 JKGE Fc1cc(Br)c([C@@H](Br)c2ccccc2Br)c(F)c1Cl 2136967580 WAPXZGONNJIAQZ-NSHDSACASA-N 475.352 6.628 50 10 JKGE COc1ccc([C@@H](Br)c2ccc(I)c(C)c2)c(Br)c1 2142140182 GKYIFILPVDDZRI-HNNXBMFYSA-N 495.980 5.855 50 10 JKGE O=C(NC[C@H]1CCCC[C@H](Br)C1)c1c(Br)cccc1Br 2163738039 SADGSMNWAUBBNP-QWRGUYRKSA-N 468.027 5.285 50 10 JKGE COc1c(C)cc(Br)c(C)c1[C@H](Br)c1nc(C)sc1Br 2169495301 LDTFLAKSPBWIGF-NSHDSACASA-N 484.051 6.086 50 10 JKGE FC(F)(F)c1cc(Br)cc([C@H](Br)c2cc(Cl)sc2Cl)c1 2172413646 ZDNFJYOGMKBZHE-JTQLQIEISA-N 468.947 7.321 50 10 JKGE Clc1sc([C@@H](Cl)c2cc(Br)c3c(c2)CCCO3)cc1Br 2172560774 UEZJFFHAIRYLQR-LBPRGKRZSA-N 457.014 6.580 50 10 JKGE COc1cc(Br)c(C)cc1[C@@H](Br)c1c(C)nn(C)c1Br 2185754648 QUVDRWCSCIJPAE-CYBMUJFWSA-N 466.999 5.055 50 10 JKGE Cc1cc(Br)c(C)c([C@@H](Br)C2CC3(CCCC3)C2)c1Br 2201067964 OHMDBNRBANWVBP-INIZCTEOSA-N 465.067 7.235 50 10 JKGE Cc1cc(Br)c(C)c([C@@H](Cl)c2c(C)cccc2Br)c1Br 2201077016 GVGVCZSKBLKADB-INIZCTEOSA-N 481.453 7.228 50 10 JKGE Cc1c([C@H](Br)c2c(Br)cc(F)c(Cl)c2F)c(Br)nn1C 2201617816 GCJGJJZVZYVIMG-VIFPVBQESA-N 493.371 5.669 50 10 JKGE COc1c(Cl)cc(Br)cc1[C@@H](Br)c1ccc(Cl)c(Cl)c1 2203003514 NODHBZVBQNJLJO-ZDUSSCGKSA-N 459.392 6.902 50 10 JKGE CC[C@H](Br)CN(Cc1ccccc1)C(=O)c1sc(C)c(Br)c1C 2210613909 INZCWZZWEVVOEV-HNNXBMFYSA-N 459.247 5.943 50 10 JKGE Cc1sc(CNCCSSCCNC(=O)OC(C)(C)C)c(C)c1Br 2214017916 KMKPIJONZYLUBR-UHFFFAOYSA-N 455.509 5.123 50 10 JKGE Fc1ccc([C@@H](Br)c2csc(Br)c2Br)c(F)c1F 2218852652 YTCZPOXBCKJNNB-SSDOTTSWSA-N 464.926 6.175 50 10 JKGE Cn1ncc(Br)c1[C@@H](Br)Cc1ccc(Br)cc1Cl 2221705212 YRTNABMJAJSXRN-VIFPVBQESA-N 457.391 5.277 50 10 JKGE Cc1c(Br)sc([C@H](Br)[C@@H]2C[C@H]3CCC[C@H](C3)C2)c1Br 2225322887 YBKGJOLQPMZDOI-MPPDQPJWSA-N 471.096 7.234 50 10 JKGE C[C@H](Cl)c1nc2cc(Br)c(Br)cc2n1C1CC(OCc2ccccc2)C1 2225693042 DZUGRRIUQZZKBK-GRTSSRMGSA-N 498.646 6.781 50 10 JKGE Fc1ccc([C@@H](Br)Cc2cc(Cl)cc(Cl)c2)c(I)c1 2232145383 CKUODVAWOYWTLB-ZDUSSCGKSA-N 473.938 6.416 50 10 JKGE Cc1cc(Br)c([C@@H](Cl)c2ccc(Br)c(Cl)c2)c(C)c1Cl 2232530774 VGKFHMIHDNUQJF-HNNXBMFYSA-N 457.420 7.463 50 10 JKGE Fc1cc(Br)c(Br)cc1[C@H](Br)C1C[C@H]2CCC[C@H](C1)C2 2233981245 FYCIBIRXPWRNOY-XQJJYNOISA-N 469.030 7.003 50 10 JKGE Fc1cc(Br)c(Br)cc1[C@H](Cl)Cc1c(Cl)cccc1Cl 2233992932 UGJJQHZLAMHZSC-CYBMUJFWSA-N 461.383 7.180 50 10 JKGE Cc1cc(Br)c([C@@H](Br)c2ccc([N+](=O)[O-])o2)c(C)c1Br 2235607274 YVFIWTOLLOKPAW-ZDUSSCGKSA-N 467.939 5.814 50 10 JKGE Cc1cc(Br)c([C@@H](Br)c2sc(C)c(C)c2C)c(C)c1Br 2236842707 AFJJROZAWRSOIV-OAHLLOKOSA-N 481.091 7.300 50 10 JKGE Cc1sc([C@@H](Br)c2sccc2I)c(Br)c1C 2242649939 YHQZJRMSZCAWIK-VIFPVBQESA-N 492.039 6.278 50 10 JKGE Cc1nc([C@H](Br)c2sc(C)c(C)c2Br)c(Br)s1 2246414488 UHOPDEJGUBUPHZ-QMMMGPOBSA-N 460.054 6.139 50 10 JKGE CCCCc1ccc([C@@H](Br)c2cccc(F)c2I)s1 2264367628 YCHXUPWQDXVSHM-AWEZNQCLSA-N 453.158 6.319 50 10 JKGE Cc1cc(Cl)c(Cl)cc1[C@@H](Br)c1cc(Br)ccc1Br 2264368743 NATGGONVEIDAQG-CQSZACIVSA-N 487.844 7.311 50 10 JKGE Cc1cc([C@H](Br)c2cccc(Cl)c2Br)c(C)cc1Br 2267986432 YTESZAVNRKVOOE-CQSZACIVSA-N 467.426 6.966 50 10 JKGE COc1ccc([C@H](Cl)c2cc(Br)ccc2F)cc1I 2269541745 JBIPMLUTUZMRFL-AWEZNQCLSA-N 455.492 5.530 50 10 JKGE C[C@@H]1CCCC[C@H]1[C@H](Br)c1c(F)cc(Br)c(F)c1Br 2272854022 CRJASKSHJPXUMG-RWYTXXIDSA-N 460.982 6.752 50 10 JKGE Cc1cccc([C@H](Br)Cc2cc(Br)cc(Br)c2)c1F 2277961269 RBLTZJNNXNCPGY-CQSZACIVSA-N 450.971 6.338 50 10 JKGE Brc1ccc(CN2CCC3(CC[C@@H](Br)C3)CC2)c(Br)c1 2287977629 AZNXLQJXRDMCCK-CQSZACIVSA-N 466.055 5.741 50 10 JKGE Cc1cc([C@@H](Br)c2c(F)cc(Br)c(F)c2Br)ccc1F 2288373227 GWBSHSHAJGVREW-GFCCVEGCSA-N 472.924 6.422 50 10 JKGE FC(F)c1ccc([C@H](Br)Cc2cc(Br)cc(Br)c2)cc1 2295329249 GDQYEYRQCCILKS-CQSZACIVSA-N 468.961 6.828 50 10 JKGE CCc1ccc(NC(=O)C(C#N)=Cc2cn(Cc3ccccc3)nc2-c2ccc(OC)cc2)cc1 2295347888 NPUHJJYBIDQKPZ-UHFFFAOYSA-N 462.553 5.715 50 10 JKGE COc1cc(C)c(Cl)cc1[C@H](Br)c1cc(Br)ccc1Br 2295378848 UGIPNCHQRIIADQ-OAHLLOKOSA-N 483.425 6.666 50 10 JKGE Cc1cc(C)c(NC(=O)C(C#N)=Cc2ccc(OC(=O)c3ccc(Br)cc3)cc2)c(C)c1 2295459666 LKZMMUMOJHIRME-UHFFFAOYSA-N 489.369 6.139 50 10 JKGE COc1cc(C=C(C#N)C(=O)Nc2nc3ccccc3s2)cc(Cl)c1OCc1ccc(F)cc1 2297500422 YQCVEXSBFSRYSO-UHFFFAOYSA-N 493.947 6.222 50 10 JKGE N#CC(=Cc1ccccc1OCc1cccc2ccccc12)C(=O)Nc1ccc([N+](=O)[O-])cc1Cl 2297551693 ZMKPAVDWPVQVBQ-UHFFFAOYSA-N 483.911 6.526 50 10 JKGE CCc1cscc1[C@H](Br)c1ccc(OCc2ccccc2)cc1Br 2299525895 SBOWVGZSIKMYAC-HXUWFJFHSA-N 466.238 7.136 50 10 JKGE C[C@@H]1O[C@H](C)[C@H]([C@H](Br)c2cc(Br)ccc2OCc2ccccc2)[C@H]1C 2314491575 RKIXOEGNENQYQH-LZISQBTHSA-N 468.229 6.524 50 10 JKGE Cc1cccc(Oc2nc3c(C)cccn3c(=O)c2C=C(C#N)C(=O)Nc2ccc(Cl)cc2)c1C 2314532398 IWRWOKHWSMSCEG-UHFFFAOYSA-N 484.943 5.611 50 10 JKGE COC1(C[C@H](Br)c2c(Cl)cc(Br)c(F)c2Br)CC1 2315440420 SLADUVISHFMAJQ-ZETCQYMHSA-N 465.382 6.009 50 10 JKGE COc1cc(Br)ccc1[C@H](Cl)c1sc(Cl)cc1I 2316603305 UACHDETYBTUXSR-NSHDSACASA-N 477.976 6.105 50 10 JKGE Clc1cc(I)c([C@@H](Br)[C@H]2CCCCC23CCC3)s1 2316607996 XIALIRPOTZFMDU-SKDRFNHKSA-N 459.618 6.803 50 10 JKGE CC(C)(C)c1ccc(Cn2cccc(C(=O)NN=Cc3c(Cl)cccc3Cl)c2=O)cc1 2323665431 QJOPABJMJJWKGL-UHFFFAOYSA-N 456.373 5.265 50 10 JKGE COc1ccc(-c2csc(C(C#N)=C(O)CCCOc3c(C)cccc3C)n2)cc1OC 2331242503 JBBYNQFLGSPXRO-UHFFFAOYSA-N 450.560 6.096 50 10 JKGE CCCCc1ccc(-c2csc(C(C#N)=C(O)CN3C(=O)c4cccc([N+](=O)[O-])c4C3=O)n2)cc1 2331256669 NLSOGNZQXNYCQT-UHFFFAOYSA-N 488.525 5.150 50 10 JKGE Cc1c(C(O)=C(C#N)c2nc(-c3ccc(C(C)(C)C)cc3)cs2)cc([N+](=O)[O-])cc1[N+](=O)[O-] 2331332894 ZFMBODUMLVSKSZ-UHFFFAOYSA-N 464.503 6.182 50 10 JKGE CC[C@@H](C)N1C(=O)c2ccc(C(O)=C(C#N)c3nc(-c4ccc(OC)cc4OC)cs3)cc2C1=O 2331385775 IRPJRFQSKZFMSR-CQSZACIVSA-N 489.553 5.172 50 10 JKGE CCCOc1ccc(-c2csc(C(C#N)=Cc3ccc(OCC)c(OC)c3)n2)cc1OCCC 2331438014 QGELPRIWILDRSZ-UHFFFAOYSA-N 478.614 6.859 50 10 JKGE COc1ccc(-c2csc(C(C#N)=Cc3ccc(OCc4ccccc4C)cc3)n2)cc1F 2331455889 VSVXGKZDHGMPBV-UHFFFAOYSA-N 456.542 6.909 50 10 JKGE COc1cc(C=C(C#N)c2nc(-c3ccc(F)cc3)cs2)ccc1OCc1ccc(Cl)cc1 2331459020 CAJPNRVCUCXQOP-UHFFFAOYSA-N 476.960 7.254 50 10 JKGE COc1cc(C=C(C#N)c2nc(-c3c(C)c(C)cc(C)c3C)cs2)ccc1OC(=O)c1ccccc1 2331468405 HWCPUIMMBKZCRB-UHFFFAOYSA-N 494.616 7.336 50 10 JKGE COc1cc(C=C(C#N)c2nc(-c3c(C)cc(C)cc3C)cs2)cc(Br)c1OC(C)C 2331478629 QKSIMYIEUGDPBR-UHFFFAOYSA-N 497.458 7.358 50 10 JKGE Brc1cc(OCc2ccccc2)ccc1[C@H](Br)[C@@H]1CCn2nccc2C1 2336077043 DWLLYILTIWIYJK-IIBYNOLFSA-N 476.212 5.923 50 10 JKGE Cc1nc(Br)c([C@H](Br)c2cc(Br)c(Cl)cc2F)n1C 2337281400 QFJDUQSKAPDLNW-SNVBAGLBSA-N 475.381 5.530 50 10 JKGE COC[C@@H]1C[C@H]1[C@H](Br)c1c(C)cc(Br)c(OC)c1Br 2339660061 YVKKOVMMAHUJPJ-SBMIAAHKSA-N 457.000 5.247 50 10 JKGE Clc1ccc(CN2[C@H](CBr)C[C@@H]3CCC[C@H]32)c(I)c1 2341011365 SCXKTBOTTSIRQQ-VZJVUDMVSA-N 454.577 5.083 50 10 JKGE Fc1cc(Br)c(Br)cc1[C@H](Br)C[C@@H]1CC[C@H]1C1CC1 2342171562 DBJFDCVGRQZAFY-JBLDHEPKSA-N 455.003 6.613 50 10 JKGE Cc1c(Br)ccc([C@@H](Br)[C@]23C[C@H](C[C@@H](C)O2)C3)c1Br 2342635776 XNQLEBLCEDPLCG-JTSVONRASA-N 453.012 5.914 50 10 JKGE Cc1cc(Br)c(C(C)C)cc1[C@H](Br)c1ccoc1Br 2352793678 QQLLQNOUKBYLCP-CQSZACIVSA-N 450.996 6.721 50 10 JKGE BrC[C@H]1C[C@@H]2CCCC[C@@H]2N1Cc1cccc(Br)c1Br 2358956043 BLHACMWPCKSCCF-LNSITVRQSA-N 466.055 5.740 50 10 JKGE Clc1ccc(CN2CC[C@@H]3[C@@H](Br)CCC[C@@H]3C2)cc1I 2362374403 YIPIQICFLRWUAC-RDBSUJKOSA-N 468.604 5.330 50 10 JKGE COc1c(Br)cc(C)cc1[C@@H](Br)c1c(Br)nc(C)n1C 2362443030 UYMSTEUFTPUEBE-LLVKDONJSA-N 466.999 5.055 50 10 JKGE CN(Cc1c(Br)c(Br)nn1C)c1cccc(Cl)c1CBr 2364333917 RFZQNTIREBRIGN-UHFFFAOYSA-N 486.433 5.130 50 10 JKGE Cc1cc(Br)c(F)c(Br)c1[C@@H](Cl)c1ccc(Br)c(F)c1 2365188453 LJGUVBKFLJGIGX-ZDUSSCGKSA-N 489.379 6.889 50 10 JKGE CC1(C)CC[C@@H](CC(CBr)(CBr)c2ccc(Br)cc2)C1 2367350018 QMQMEOXPAKGDEI-CYBMUJFWSA-N 467.083 6.693 50 10 JKGE C[C@@H]1CC[C@@H](C(C)(C)Cc2cc(I)ccc2Cl)[C@H](Br)C1 2380530116 YLRZXSBQUGZZRP-KCPJHIHWSA-N 469.632 6.713 50 10 JKGE O=C(N/N=C/c1ccc(-c2cccc(Br)c2)o1)[C@@H]1COc2cc3ccccc3cc2O1 1209914 KNNXITWNKWMMNZ-LBWPQLDNSA-N 477.314 5.152 50 10 JKGE Cc1ccccc1N1CCN(C(=O)/C(C#N)=C/c2ccc(-c3ccc(Br)cc3)o2)CC1 2730383 KDQFSFNFALCGDB-CAPFRKAQSA-N 476.374 5.273 50 10 JKGE O=C(NC1CCCCCC1)[C@@H](c1ccc(Cl)cc1)N(Cc1ccccc1Cl)C(=O)CCl 3038812 LIDVWEYURQLIMG-HSZRJFAPSA-N 481.851 6.141 50 10 JKGE CC(C)CCOc1ccc(C(=O)NNC(=O)c2ccc(OCCC(C)C)c(Br)c2)cc1 14645716 ZNIPWRYUZCVFHZ-UHFFFAOYSA-N 491.426 5.374 50 10 JKGE CCOc1cc(/C=C(/C#N)c2nc3ccccc3s2)cc(I)c1OC 33424381 DHGQZVQIDXMVCP-JYRVWZFOSA-N 462.312 5.372 50 10 JKGE Cc1ccc(NC(=O)/C(C#N)=C2/S[C@@H](Cc3ccc(Cl)cc3)C(=O)N2c2ccc(C)cc2)cc1 33579292 BKRQFMLNSMUTDP-BSSRNLCFSA-N 488.012 6.022 50 10 JKGE COc1ccc(C(=O)NNC(=O)c2ccc3nc(-c4ccccc4)c(-c4ccccc4)nc3c2)cc1 33809163 JROBMYIARKZHSV-UHFFFAOYSA-N 474.520 5.047 50 10 JKGE N#C/C(=C/c1ccc(Oc2ccc([N+](=O)[O-])cc2C#N)cc1)C(=O)Nc1ccc(Cl)cc1[N+](=O)[O-] 33930486 KQEQPBADBVJPOV-SXGWCWSVSA-N 489.831 5.366 50 10 JKGE Cc1cccc(Oc2c(C(F)(F)F)oc3cc(OC(=O)/C(C#N)=C\c4ccccc4)ccc3c2=O)c1 35263028 GLUSWBUCGITHLP-AQTBWJFISA-N 491.421 6.425 50 10 JKGE COc1ccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4cccc5ccccc45)ccc32)c(OC)c1 38657053 JSVSTVUKGDSQRP-HHHXNRCGSA-N 478.504 5.294 50 10 JKGE CCCOc1ccccc1[C@@H]1C(C#N)=C(N)Oc2cc(OC(=O)[C@H](C)Oc3ccc(F)cc3)ccc21 38681636 AFRCEXXGJCOJLJ-QLXKLKPCSA-N 488.515 5.206 50 10 JKGE CCCCOc1ccccc1[C@@H]1C(C#N)=C(N)Oc2cc(OC(=O)c3cccc(C)c3)ccc21 38682644 SRIGZQWAFGMJLP-SANMLTNESA-N 454.526 5.611 50 10 JKGE C=CCOc1cccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4ccc(Cl)cc4)ccc32)c1 38684514 VJWVIBMXXHWINR-DEOSSOPVSA-N 458.901 5.342 50 10 JKGE COc1cccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4oc5c(C)c(C)ccc5c4C)ccc32)c1 38687342 GNKALBITVPTAMR-RUZDIDTESA-N 480.520 5.804 50 10 JKGE Cc1ccc(Nc2ncnc(NNC(=O)C(c3ccccc3)c3ccccc3)c2[N+](=O)[O-])cc1Cl 40591076 VQSYPBCNLXXVBM-UHFFFAOYSA-N 488.935 5.365 50 10 JKGE Cc1ccccc1C(=O)N/N=C1\CCCc2oc(C(=O)Oc3cccc4ccccc34)c(C)c21 40811551 OJXHPZLPCMHHFI-QUPMIFSKSA-N 452.510 5.739 50 10 JKGE CCOc1ccc(Br)cc1/C=N/NC(=O)COc1ccc(Br)cc1C(C)C 40951051 SYAVYDHOPUNOGT-FOKLQQMPSA-N 498.215 5.263 50 10 JKGE CCCCCOc1ccc(/C=N/NC(=O)COc2ccc(Br)cc2CC)cc1OC 40959868 RBOXPHCIUBTFFD-MFKUBSTISA-N 477.399 5.118 50 10 JKGE N#C/C(=C\c1cn(Cc2c(F)cccc2Cl)c2ccccc12)C(=O)NCCc1ccccc1 58978594 BUVNPVNGKWQFCG-HMMYKYKNSA-N 457.936 5.748 50 10 JKGE COc1cc(/C=C(/C#N)C(=O)Nc2cc(Cl)ccc2Cl)ccc1OCc1ccccc1F 59117382 HXLDMUJGEGYDBR-YVLHZVERSA-N 471.315 6.266 50 10 JKGE O=C(N/N=C/c1cc(Cl)c(OCc2ccc3ccccc3c2)c(Cl)c1)c1cc2ccccc2o1 59304907 SURHIPQQBJCDJC-FJEPWZHXSA-N 489.358 7.236 50 10 JKGE CCCCc1ccc(NC(=O)/C(C#N)=C\c2ccc(OC(=O)c3ccccc3Cl)c(OC)c2)cc1 96438586 DKMWOQAAUXBHIN-PGMHBOJBSA-N 488.971 6.456 50 10 JKGE Cc1cc(Br)ccc1[C@H](Br)c1cc(Cl)c(Br)cc1F 97895885 UKBHDFFJHMPZRW-AWEZNQCLSA-N 471.389 6.797 50 10 JKGE CCCCN1C(=O)C(C#N)=C(C)/C(=C\c2cn(-c3ccccc3)nc2-c2ccc3c(c2)C[C@@H](C)O3)C1=O 101333029 XUZDIASXCPZOJR-DUYBAWCLSA-N 492.579 5.255 50 10 JKGE CCOc1ccc(Br)cc1[C@H](Br)c1ccc(Br)cc1OC 160778738 OSRCAJSSERTRFR-MRXNPFEDSA-N 479.006 6.103 50 10 JKGE CCc1ccc([C@H](C)N/C=C(/C#N)C(=O)N2CCN(C(c3ccccc3)c3ccccc3)CC2)cc1 216491975 SDFIERCLJRBSBU-VVJBIOMHSA-N 478.640 5.241 50 10 JKGE O=C(NCc1ccc(CBr)cc1)c1cc(Br)ccc1Br 227507039 PMOGELFIBWEHBD-UHFFFAOYSA-N 461.979 5.037 50 10 JKGE Cc1cc(Br)c([C@H](Br)c2ccc(Cl)c(Br)c2)s1 235821968 JUCUGVAJWKFREO-LLVKDONJSA-N 459.428 6.719 50 10 JKGE CC(=NNC(=O)c1sc2ccccc2c1Cl)c1ccc(NC(=O)/C=C/c2ccccc2)cc1 254491352 IWDZBVAOARZRDJ-GFNFWJOJSA-N 473.985 6.361 50 10 JKGE CC(=NNC(=O)CSc1nnc(SCc2cccc3ccccc23)s1)c1ccco1 254714556 WBUAZKPFLOUAPX-UHFFFAOYSA-N 454.602 5.209 50 10 JKGE COc1ccc(C=NNC(=O)c2ccc(-n3c(C)ccc3C)cc2)cc1OCc1ccccc1 254812787 YUAZFQONWNEZHC-UHFFFAOYSA-N 453.542 5.446 50 10 JKGE COc1ccc(-n2c(SCC(=O)NN=C/C(C)=C\c3ccccc3)nnc2-c2ccc(C)cc2)cc1 254818810 BPDUHOLKHYSONW-SYSHTYQLSA-N 497.624 5.549 50 10 JKGE O=C(NN=Cc1cccc(Oc2ccccc2)c1)c1cnn(-c2ccccc2)c1C(F)(F)F 254870837 HAVFRFQHVNLRGV-UHFFFAOYSA-N 450.420 5.447 50 10 JKGE Clc1c(Br)cccc1[C@H](Cl)c1cc(I)cc2c1OCC2 312412585 XEUFIRDFUVTJGQ-ZDUSSCGKSA-N 483.958 5.970 50 10 JKGE C[C@H](Cl)c1nc2c(Br)cccc2n1-c1ccc(I)cc1 380710333 PHXPQPRBSBONTM-VIFPVBQESA-N 461.528 5.692 50 10 JKGE Cc1cccc(Br)c1[C@H](Br)c1cc(Br)cc2c1OCC2 380783357 SUAPAHPAOGZBSQ-OAHLLOKOSA-N 460.991 5.939 50 10 JKGE Fc1cc(F)c(F)c([C@@H](Br)c2cc(Br)sc2Br)c1F 396096367 QJRRUDAWDHLWBO-QMMMGPOBSA-N 482.916 6.314 50 10 JKGE 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 504656743 KBSDBYDTKXUZDW-XVHZDTRRSA-N 493.614 8.686 50 10 JKGE CN(C(=O)OC(C)(C)C)c1ccccc1[C@@H]1CCN(CCO[Si](C)(C)C(C)(C)C)CCO1 616593961 MNVBSWAWVOFHQM-QFIPXVFZSA-N 464.723 5.843 50 10 JKGE CC(C)(C)OC(=O)Nc1cccc([C@H]2COCCN(CCO[Si](C)(C)C(C)(C)C)C2)c1 616663645 MIPKLLLWGHVLQO-HXUWFJFHSA-N 450.696 5.471 50 10 JKGE C[C@@H](Cl)c1nc2cccc(Br)c2n1CCCN(Cc1ccccc1)Cc1ccccc1 697724872 LWRRYRDPFXMKHI-HXUWFJFHSA-N 496.880 7.191 50 10 JKGE COc1ccc(O[C@H]2C[C@@H](Br)C23CCCCC3)cc1I 712928209 AJAPORFJOMWZJT-CABCVRRESA-N 451.142 5.165 50 10 JKGE Cc1ccc(Br)cc1COc1c(F)cc(Br)cc1CBr 715719965 HSPNFPWKBLRBLE-UHFFFAOYSA-N 466.970 6.133 50 10 JKGE Cc1cc(Br)c([C@@H](Br)[C@@H]2C[C@H](C)O[C@H](C)C2)cc1Br 724413280 DRIZUIKLVSICBB-SQYUCLKFSA-N 455.028 6.160 50 10 JKGE COc1cc(/C=C(/C#N)C(=O)Nc2cc(Cl)ccc2Cl)ccc1OC(=O)c1ccccc1 1084312654 CPYUUZGAXZMXHD-BOPFTXTBSA-N 467.308 5.767 50 10 JKGE CN(C)C(=O)/C(C#N)=C/c1ccc(OCc2cccc3ccccc23)c(I)c1 1084353156 ILRCJBWADLOXKB-XDHOZWIPSA-N 482.321 5.019 50 10 JKGE COc1cc(/C=C(/C#N)C(=O)Nc2ccc(Cl)c(Cl)c2)ccc1OCc1ccc(Cl)cc1 1084438802 GLHBCCBXMJHRSI-YVLHZVERSA-N 487.770 6.780 50 10 JKGE Clc1nc2ccccc2cc1[C@@H]1CN(Cc2ccccc2)C[C@H]1CI 1614690406 DWSXYZFZDVCXBP-IEBWSBKVSA-N 462.762 5.539 50 10 JKGE Cc1ccc(C(=O)NN=C2CCCc3oc(C(=O)Nc4ccccc4Br)c(C)c32)cc1 1772744882 MQALBTVDAYGFIY-UHFFFAOYSA-N 480.362 5.382 50 10 JKGE Cc1c(C(=O)Nc2nc3ccccc3s2)oc2c1C(=NNC(=O)c1cccc3ccccc13)CCC2 1772747129 FFRUWHUFTNLKNM-UHFFFAOYSA-N 494.576 6.074 50 10 JKGE CCc1cccc(CC)c1NC(=O)COc1cccnc1NC(=O)Nc1ccc(SC#N)cc1 1858829208 JYGZRQGRHKBKMH-UHFFFAOYSA-N 475.574 5.441 50 10 JKGE COc1ccc(-c2nn(-c3cccc(Cl)c3)c3c2[C@H](c2ccc(C)cc2)C(C#N)=C(N)O3)cc1 1865685140 DNHGXZNMBKFQEA-HSZRJFAPSA-N 468.944 5.728 50 10 JKGE CCCOc1cccc([C@H]2C(C#N)=C(N)Oc3c2c(C(F)(F)F)nn3-c2ccc(C)cc2)c1 1865692948 GSLXNKRXHDHKJC-IBGZPJMESA-N 454.452 5.207 50 10 JKGE COc1ccc(-c2nn(-c3ccccc3Cl)c3c2[C@@H](c2ccccc2C(=O)O)C(C#N)=C(N)O3)cc1 1865704357 UETGGSCDUMXVRM-QFIPXVFZSA-N 498.926 5.118 50 10 JKGE CCc1nn(CC(C)C)c2c1[C@H](c1ccc(OCc3ccccc3Cl)cc1)C(C#N)=C(N)O2 1865704486 XCLKMMLSRYDPAE-HSZRJFAPSA-N 462.981 5.552 50 10 JKGE CCn1nc(-c2ccccc2)c2c1OC(N)=C(C#N)[C@@H]2c1cccc(OC)c1OCc1cccc(C)c1 1865705309 RNYPDZKOXKCJMD-VWLOTQADSA-N 492.579 5.684 50 10 JKGE CC(C)Oc1ccccc1[C@@H]1C(C#N)=C(N)Oc2c1c(C(F)(F)F)nn2Cc1ccccc1F 1865705505 XEZWXABPKXALCF-LJQANCHMSA-N 472.442 5.095 50 10 JKGE COc1ccc(-c2csc(/C(C#N)=C/c3c(OCc4ccccc4)ccc4ccccc34)n2)cc1C 1872781058 SVUVVBFFKKKKEO-KOEQRZSOSA-N 488.612 7.924 50 10 JKGE COc1cc(/C=C(\C#N)c2nc(-c3ccc(C)c(C)c3)cs2)ccc1OCc1ccc(Cl)cc1 1872793851 XNHBTVXVYWLCDL-YDZHTSKRSA-N 487.024 7.732 50 10 JKGE O=C(COc1ccc(C(=O)NC2CCCCC2)cc1)N/N=C/c1ccc(-c2ccccc2Cl)o1 1873497124 JYZVYONNGNJION-LQKURTRISA-N 479.964 5.192 50 10 JKGE Cl[C@@H](c1csc(Br)c1)c1cc(Br)ccc1OCc1ccccc1 1899856743 LKJWIBPMPDKZEG-SFHVURJKSA-N 472.629 7.180 50 10 JKGE C[C@H](Cl)c1nc2c(Br)cc(F)cc2n1C[C@@H]1CCN(Cc2ccccc2)C1 1912662710 BMEFNVACWHQRRV-GOEBONIOSA-N 450.783 5.760 50 10 JKGE C[C@@H](Cl)c1nc2c(Br)cc(F)cc2n1CC(C)(C)N(C)Cc1ccccc1 1912691959 BIPUZOUWANFEDE-CQSZACIVSA-N 452.799 6.148 50 10 JKGE C[C@@H](CBr)N(Cc1ccccc1)Cc1cccc(Br)c1Br 1914347789 HQGHNUSFEGOQSX-ZDUSSCGKSA-N 476.050 5.997 50 10 JKGE Brc1cc(Br)c([C@H](Br)c2cc3cscc3s2)s1 1922885648 ISGPWDJLUVYFFL-SNVBAGLBSA-N 473.074 7.034 50 10 JKGE Cc1c(Br)sc([C@@H](Br)c2cccc(C(C)(C)C)c2)c1Br 1922906939 OIAVJGNHTJSOPF-ZDUSSCGKSA-N 481.091 7.363 50 10 JKGE CCc1ccc([C@H](Br)c2sc(Br)c(C)c2Br)s1 1922938607 FFWOUHZAIBHDAZ-JTQLQIEISA-N 459.066 6.690 50 10 JKGE COc1ccc([C@H](Cl)c2c(Br)sc(Br)c2Cl)cc1OC 1923050722 YQZNPYSYJCPOKR-JTQLQIEISA-N 461.002 6.272 50 10 JKGE C[C@H](CC(C)(C)C)[C@H](Br)c1c(Br)sc(Br)c1Cl 1923063506 ZQDDHYWRWVKOBE-SVRRBLITSA-N 467.492 7.435 50 10 JKGE CO[C@@H]1C[C@@H]1[C@H](Br)c1c(Br)sc(Br)c1Br 1924608061 CREDBPRDEYGKBG-RPDRRWSUSA-N 483.845 5.507 50 10 JKGE ClCCc1nc2cncc(Br)c2n1CCCN(Cc1ccccc1)Cc1ccccc1 1946446018 TVLCGKIAWYLOHK-UHFFFAOYSA-N 497.868 6.068 50 10 JKGE Brc1ccc([C@H](Br)c2ccsc2Br)c(Br)c1 1994121907 GPRYHOJNWFMKIN-JTQLQIEISA-N 489.852 6.520 50 10 JKGE CC(C)(C)[C@@H](CBr)CNC(=O)c1cc(Br)c(Br)s1 2029719436 GXQJLMDMZIFENV-ZETCQYMHSA-N 462.045 5.060 50 10 JKGE CS(=O)(=O)c1csc([C@H](Cl)c2scc(Br)c2Br)c1 2032167729 OEEWCVWYMVLJJJ-VIFPVBQESA-N 450.626 5.066 50 10 JKGE Cn1cc([C@@H](Br)c2cc(C3CC3)c(Br)s2)c(Br)n1 2052975112 DYAVQHLEJCRFEB-SNVBAGLBSA-N 455.013 5.368 50 10 JKGE FC(F)(F)C1([C@H](Br)c2sc(Br)cc2Br)CCCC1 2052995941 DDOARMCNSOMUAE-SECBINFHSA-N 470.974 6.832 50 10 JKGE Clc1sc(Br)c(Cl)c1[C@@H](Br)c1cc2c(s1)CCOC2 2103246709 NZURDLOQFXRRQX-VIFPVBQESA-N 463.043 6.436 50 10 JKGE Clc1ccc(C[C@@H](CBr)c2ccccc2Br)cc1Br 2110526469 PCLSBINJSKHOTO-NSHDSACASA-N 467.426 6.586 50 10 JKGE O=C(NCC[C@@H]1CCCC[C@@H]1Br)c1cc(Br)c(Br)s1 2123032408 RBLGIBFMLYPMRY-IUCAKERBSA-N 474.056 5.347 50 10 JKGE Cc1cc(Br)c(C)c([C@@H](Br)C2(CC(C)C)CC2)c1Br 2136378406 CSTDNKGCNPYPMU-OAHLLOKOSA-N 453.056 7.091 50 10 JKGE O=C(c1csc(Br)c1Br)N1CCC2(CCC2)[C@@H](CBr)C1 2151657838 WLLQXDLDPXEENA-VIFPVBQESA-N 486.067 5.300 50 10 JKGE C[C@@H]1C[C@@H](CCC(CBr)(CBr)c2ccc(Br)cc2)CO1 2159288039 RDVFQACODYTOSN-CHWSQXEVSA-N 469.055 5.682 50 10 JKGE Brc1ccc(O[C@@H]2C[C@H](Br)[C@@]23CCCC32CC2)c(Br)c1 2173659630 PNLRPZRLQADNLT-LZWOXQAQSA-N 465.023 6.077 50 10 JKGE C[C@H](Cl)c1nc2cc(I)c(F)cc2n1CC1CC(Br)C1 2196940053 IZVVQAGJYNUGHB-UEJVZZJDSA-N 471.539 5.253 50 10 JKGE COc1c(Cl)cc(Br)cc1[C@@H](Cl)c1nn(C)c(Cl)c1Br 2203009822 VMCANGXICZQXLU-SECBINFHSA-N 463.384 5.589 50 10 JKGE CC[C@](CBr)(Cc1ccc(I)c(Cl)c1)c1ccccc1 2208041976 ATGOTVGQYHBFTJ-QGZVFWFLSA-N 463.584 6.230 50 10 JKGE CCN(C)C[C@H](Br)Cc1sc(Br)c(Br)c1Br 2212199414 CCUFWLSEOFPQIU-ZCFIWIBFSA-N 498.904 5.293 50 10 JKGE CC[C@H](Br)CN(Cc1ccccc1)C(=O)Cc1ccc(Br)cc1Cl 2215854458 REZJCKCCGNCBJC-INIZCTEOSA-N 473.636 5.847 50 10 JKGE Cc1ccc([C@@H](Cl)c2sc(C)c(Br)c2C)cc1I 2217866811 PBTZAHAJOIQBBD-CYBMUJFWSA-N 455.586 6.369 50 10 JKGE C[C@H](Cl)c1nc2ccc(Br)cc2n1C[C@@H]1CC1(Br)Br 2224806628 QSYKQAOCYOWXJV-YUMQZZPRSA-N 471.418 5.605 50 10 JKGE Fc1cc(Br)c(Br)cc1[C@H](Br)[C@@]12COC[C@H]1C2(F)F 2225619536 KHLHFJZPPZHNDP-OUAUKWLOSA-N 464.901 5.068 50 10 JKGE Clc1cc(Cl)cc(C[C@H](Cl)c2c(Br)sc(Br)c2Cl)c1 2232162339 PBOFZYNGDMYCDZ-QMMMGPOBSA-N 483.867 7.756 50 10 JKGE Clc1ccc(I)c(CN2C[C@H](Br)CC23CCCC3)c1 2232277635 FMTTUYGIHXZDAV-GFCCVEGCSA-N 454.577 5.227 50 10 JKGE Fc1cccc(I)c1[C@H](Br)c1sccc1Br 2243445834 FLYQPGZWKCSLOD-JTQLQIEISA-N 475.946 5.739 50 10 JKGE Brc1cc(Br)cc(C[C@@H](Br)[C@H]2C[C@H](Br)C2)c1 2246002858 ZAFUNRWRXYPVQF-GGZOMVNGSA-N 475.844 5.691 50 10 JKGE Cc1sc([C@@H](Br)c2ccc(Br)cc2F)c(Br)c1C 2253472581 BUHIXOOYTOYZFY-LBPRGKRZSA-N 457.000 6.513 50 10 JKGE Fc1cc(Br)c(F)c(Br)c1[C@@H](Br)[C@H](F)C(F)(F)F 2259996431 WOVODMRFDOQJNF-SVRRBLITSA-N 464.823 5.826 50 10 JKGE Clc1c(Br)sc(Br)c1[C@H](Br)[C@@]12CCCC[C@H]1CC2 2260511328 HINPQWRGOYCQQF-LCWDIZFYSA-N 477.487 7.333 50 10 JKGE COc1sccc1[C@@H](Br)Cc1cc(Br)cc(Br)c1 2263509686 KHAOYXJBGXEVDK-LBPRGKRZSA-N 455.009 5.960 50 10 JKGE COc1cc(C)c(Br)c(C)c1[C@H](Br)c1ncsc1Br 2269604604 NXIOZMZYAXSRDP-NSHDSACASA-N 470.024 5.778 50 10 JKGE COc1c(Br)cc(Cl)c(C)c1[C@H](Br)c1occc1Br 2277985799 UJHDKHIFSVQDGP-NSHDSACASA-N 473.386 6.259 50 10 JKGE CC[C@@H](C)c1ccc([C@@H](Br)c2ccc(Cl)c(I)c2)cc1 2283587549 VVSOIJVHDSUFFE-PIGZYNQJSA-N 463.584 6.942 50 10 JKGE COc1c([C@@H](Br)c2nc(C)sc2Br)cc(Br)c(C)c1C 2284524399 OMIMLKDXLOWWIR-LLVKDONJSA-N 484.051 6.086 50 10 JKGE COc1cc(C)c(Br)c(C)c1[C@@H](Cl)c1cccc(I)c1 2285075843 XCHNXRSMYYNEHO-INIZCTEOSA-N 465.556 6.007 50 10 JKGE COc1cc(C)c(Br)c(C)c1[C@H](Br)c1cccc(Br)c1 2285091573 OXKNLIAZBRQWBP-MRXNPFEDSA-N 463.007 6.321 50 10 JKGE Cc1c(Br)ccc([C@H](Br)Cc2ccc(Cl)c(F)c2)c1Br 2295290024 OKJMVEURMLOKGK-GFCCVEGCSA-N 485.416 6.991 50 10 JKGE COc1cccc(C=C(C#N)C(=O)NC2CCCCCC2)c1OCc1ccc(F)cc1Cl 2295631728 NAJYNERCUVUNOW-UHFFFAOYSA-N 456.945 5.813 50 10 JKGE COc1cc(C=C(C#N)C(=O)Nc2ccccc2[N+](=O)[O-])ccc1OCc1ccccc1Cl 2297491197 WCKIJCDULNWABV-UHFFFAOYSA-N 463.877 5.381 50 10 JKGE Cc1cc([N+](=O)[O-])ccc1NC(=O)C(C#N)=Cc1ccc(OCc2cccc3ccccc23)cc1 2297551661 XPXZFMUZAPWFHI-UHFFFAOYSA-N 463.493 6.181 50 10 JKGE CC(C)OC[C@@H](Br)CCc1ccc(I)c(Br)c1 2306223901 KPQLDYZTJMTGMG-NSHDSACASA-N 475.990 5.175 50 10 JKGE FC(F)([C@H]1CCOC1)[C@@H](Br)c1cc(Br)ccc1OCc1ccccc1 2314439837 KLCNFLKQSJPOQU-KSSFIOAISA-N 476.155 6.136 50 10 JKGE CC1([C@H](Br)c2ccc(OCc3ccccc3)cc2Br)CC2(CCC2)C1 2314441714 BBBSOWDBTLZGHA-HXUWFJFHSA-N 464.241 7.435 50 10 JKGE CC1=C(C#N)C(=O)N(Cc2ccccc2)C(=O)C1=Cc1ccc(-c2ccc(Cl)cc2Cl)o1 2314609977 BFGMRSYFCONFEN-UHFFFAOYSA-N 463.320 6.046 50 10 JKGE C[C@@H]1CCC[C@@H]1[C@H](Br)c1c(Cl)cc(Br)c(F)c1Br 2315450060 XVXKJFSMGICIIL-BUYFANAVSA-N 463.410 6.876 50 10 JKGE ClC[C@H](Cc1ccccc1Br)Cc1sccc1I 2316668988 YQJAHBYVGFURPR-SNVBAGLBSA-N 455.586 5.755 50 10 JKGE N#CC(=CNc1ccccc1Sc1ccccc1)C(=O)NC(c1ccccc1)c1ccccc1 2324825876 SXIYXSYRQODESI-UHFFFAOYSA-N 461.590 6.563 50 10 JKGE CC1(C)CC[C@@H](Br)CN1Cc1ccc(I)c(Br)c1 2325225264 DUSAOVZELMFMLB-LLVKDONJSA-N 487.017 5.192 50 10 JKGE CCOc1ccc(CCC(O)=C(C#N)c2nc(-c3ccc(OC)c(C)c3)cs2)cc1OC 2331260325 VQEHYYHSPHZUKZ-UHFFFAOYSA-N 450.560 5.960 50 10 JKGE CCCOc1ccc(-c2csc(C(C#N)=C(O)C=Cc3ccc(C(C)C)cc3)n2)cc1OCCC 2331293187 DUWDATNMGRPHEZ-UHFFFAOYSA-N 488.653 8.017 50 10 JKGE CCCOc1ccc(-c2csc(C(C#N)=C(O)Cc3ccccc3F)n2)cc1OCCC 2331293257 NPCKJIOJAIUIRL-UHFFFAOYSA-N 452.551 6.562 50 10 JKGE N#CC(=C(O)c1cc([N+](=O)[O-])ccc1Cl)c1nc(-c2ccc(Cl)c(Cl)c2)cs1 2331311982 REBOVMZIZIJCPA-UHFFFAOYSA-N 452.706 6.628 50 10 JKGE CCOc1ccc(OCC)c(-c2csc(C(C#N)=C(O)C=Cc3cc(OC)ccc3OC)n2)c1 2331376571 UIIKXBSWYUXPHQ-UHFFFAOYSA-N 478.570 6.131 50 10 JKGE COc1cc(C)c(-c2csc(C(C#N)=C(O)[C@H]3CC(=O)N([C@H](C)c4ccccc4)C3)n2)cc1C 2331402818 UXLIGRFEVZQHJD-QUCCMNQESA-N 473.598 5.838 50 10 JKGE COc1cc(C=C(C#N)c2nc(-c3cccs3)cs2)ccc1OCCCc1ccccc1 2331450817 CVWZPDISJCPUCU-UHFFFAOYSA-N 458.608 6.956 50 10 JKGE CCCCCCCOc1ccc(-c2csc(C(C#N)=Cc3ccc(C(C)(C)C)cc3)n2)cc1 2331459756 RRWCFEYZBDEJKK-UHFFFAOYSA-N 458.671 8.521 50 10 JKGE COc1cc(C=C(C#N)c2nc(-c3ccc(F)c(F)c3)cs2)ccc1OCc1ccc(Cl)cc1 2331463990 MLIOHKIJFWUSRM-UHFFFAOYSA-N 494.950 7.393 50 10 JKGE COc1ccc(Cl)cc1-c1csc(C(C#N)=Cc2ccc(OC(=O)c3ccccc3)cc2)n1 2331491931 XYMRXNDDAOELJO-UHFFFAOYSA-N 472.953 6.755 50 10 JKGE CCCc1sc(Br)cc1[C@H](Br)c1c(Cl)cccc1Br 2338030393 AADLVWRVFARPPI-AWEZNQCLSA-N 487.482 7.363 50 10 JKGE Cn1nc(Br)c(Br)c1[C@@H](Cl)c1ccc(F)c(Br)c1F 2338862795 YSKXNPPIOMYKCA-QMMMGPOBSA-N 479.344 5.314 50 10 JKGE COc1cc([C@@H](Br)c2ccc(Br)c(C)c2Br)sc1Cl 2340289268 WEQZWIYJSLSDIP-LBPRGKRZSA-N 489.454 6.728 50 10 JKGE Brc1cc(CN2C[C@H](Br)CC3(CCC3)C2)ccc1I 2349835153 MCTADIZIRFEXEE-GFCCVEGCSA-N 499.028 5.193 50 10 JKGE Cc1cc(Br)c([C@H](Br)[C@H]2OC[C@@H]3CCCC[C@H]23)cc1Br 2358478171 RZVAPGRTJDLXGO-GREKMHCPSA-N 467.039 6.161 50 10 JKGE CC(C)(CC(F)(F)F)[C@H](Br)c1c(F)cc(Cl)c(Br)c1Cl 2360502487 SMKWDXTZPWFZIM-SNVBAGLBSA-N 460.918 7.310 50 10 JKGE Fc1cccc([C@H](Cl)c2c(Cl)cc(Br)c(F)c2Br)c1Cl 2362226379 VBUBMVLWPMVDIG-LBPRGKRZSA-N 465.346 7.125 50 10 JKGE Fc1c(Br)cc(Cl)c([C@@H](Cl)c2ccc(Cl)c(Cl)c2)c1Br 2362226815 XCCZECPJPNPJOK-LBPRGKRZSA-N 481.801 7.639 50 10 JKGE Cc1c(Cl)cccc1[C@@H](Cl)c1c(Cl)cc(Br)c(F)c1Br 2362237076 DYTKZPXLACAHQY-CYBMUJFWSA-N 461.383 7.294 50 10 JKGE Cc1cc(Br)c(F)c(Br)c1[C@H](Br)[C@H](C)c1ccccc1 2365181269 VFBYFHCWRBDWKV-QMTHXVAHSA-N 464.998 6.899 50 10 JKGE Clc1ccc(C[C@H](CBr)CCc2ccccc2)c(I)c1 2366714020 DZUOVXWABUAYSK-CQSZACIVSA-N 463.584 6.131 50 10 JKGE Clc1ccc(I)cc1CO[C@@H]1C[C@H](Br)C12CCCCC2 2380342163 CIJCUYDFDWCTRQ-LSDHHAIUSA-N 469.588 5.948 50 10 JKGE Cc1ccc(CBr)c(OCc2cccc(F)c2Br)c1Br 2381134497 CZVVVFQDVBFYDX-UHFFFAOYSA-N 466.970 6.133 50 10 JKGE CCc1cc(Br)c(OC)c([C@H](Br)c2ccccc2OCc2ccccc2)c1 2381249127 DUCSBXYZZXMVNB-JOCHJYFZSA-N 490.235 7.083 50 10 JKGE C/C(=N/NC(=O)COc1c(C)cc(Br)cc1Br)c1ccc(Cl)cc1 12483530 DXJHUJFQLGNECX-NHDPSOOVSA-N 474.580 5.093 50 10 JKGE COC(=O)c1c(NC(=O)/C(C#N)=C\c2ccc(-c3ccc(Cl)cc3Cl)o2)sc(C)c1C 33339721 PKQVYGFDGYHPFT-JYRVWZFOSA-N 475.353 6.264 50 10 JKGE O=C(N/N=C\c1cc(Br)ccc1OC(=O)c1ccc(Cl)cc1Cl)c1ccccc1 33499557 OPDSKVYMYYHDQC-ROTLSHHCSA-N 492.156 5.739 50 10 JKGE CC(C)COc1ccc(C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@H]3c2ccccc2Cl)cc1 38651050 MEDYBNIUHNGMBC-VWLOTQADSA-N 474.944 5.812 50 10 JKGE C[C@H](Oc1ccccc1F)C(=O)Oc1ccc2c(c1)OC(N)=C(C#N)[C@@H]2c1ccc(Cl)cc1 38651367 HEEALAMYLDFAEU-LFVRLGFBSA-N 464.880 5.070 50 10 JKGE CSc1ccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)COc4cccc(C)c4C)ccc32)cc1 38682508 LBRZNWPRLHQJIK-AREMUKBSSA-N 472.566 5.228 50 10 JKGE Cc1ccc(OC(=O)c2oc3c(c2C)/C(=N/NC(=O)C(F)(F)C(F)(F)C(F)(F)F)CCC3)cc1 40823301 AULXRQAOEWITQM-VFLNYLIXSA-N 494.363 5.105 50 10 JKGE COc1cc(/C=C(\C#N)C(=O)NC(C)C)ccc1OC(=O)c1sc2ccccc2c1Cl 41007604 QRNLZZJALWMJAN-XNTDXEJSSA-N 454.935 5.214 50 10 JKGE COc1cc(/C=C(\C#N)c2nc(-c3ccc(Cl)cc3)cs2)ccc1OCc1nc2ccccc2[nH]1 50613745 BNCDHPOSCWCYJJ-XDHOZWIPSA-N 498.995 6.992 50 10 JKGE CCOc1ccc([C@H](O)CCC(=O)N/N=C\c2cc(C)n(-c3cccc(Cl)c3C)c2C)cc1 58894443 WPHHVRYRNNTOSX-NNVPUZBJSA-N 467.997 5.419 50 10 JKGE CCOC(=O)/C=C/c1ccccc1N=P(c1ccccc1)(c1ccccc1)c1ccccc1 59059122 RMAJXHWALMXCGR-GHVJWSGMSA-N 451.506 6.072 50 10 JKGE Cc1ccc(NC(=O)/C(C#N)=C\c2cc(Cl)c(OCc3ccccc3F)c(Cl)c2)cc1 59335268 DBSGPIMPRVXDDN-ZDLGFXPLSA-N 455.316 6.566 50 10 JKGE CCCOc1ccc([C@@H](C(=O)NC2CCCCC2)N(Cc2ccccc2)C(=O)CCl)cc1OC 97914592 OIBYEBMVZFORGC-SANMLTNESA-N 487.040 5.242 50 10 JKGE COc1ccc(-c2csc(/C(C#N)=C\Nc3ccccc3OC(F)(F)[C@H](F)Cl)n2)cc1 102416060 ZRHUUWYVJSZNHF-QKQONQEDSA-N 465.884 6.301 50 10 JKGE Cc1ccc(N/C(SCc2c(F)cccc2Cl)=C(\C#N)S(=O)(=O)c2ccccc2)cc1C 104688923 HFNHMXMXUPGGLD-VHXPQNKSSA-N 487.021 6.608 50 10 JKGE COC(=O)c1c(N=P(c2ccccc2)(c2ccccc2)c2ccccc2)sc2c1CCCC2 108618775 WZWXBBKIZSEZBK-UHFFFAOYSA-N 471.562 6.223 50 10 JKGE COc1ccc(Cl)cc1[C@H](Br)c1cc(Br)ccc1Br 109844535 NTBQFAJOPNUZQN-CQSZACIVSA-N 469.398 6.358 50 10 JKGE CCc1nn(C)c(CC(CBr)(CBr)c2ccccc2)c1Br 118876422 DDMAWMJFVPNMBT-UHFFFAOYSA-N 479.054 5.015 50 10 JKGE CCOc1ccc([C@@H](Br)c2csc(I)c2)cc1OCC 124412947 TWRKEHLCNKLDMO-OAHLLOKOSA-N 467.166 5.634 50 10 JKGE COc1ccc(C[C@@H](Br)c2cc(Br)c(C)cc2Br)cc1 128780449 CGGFSMGPBDGMFI-MRXNPFEDSA-N 463.007 6.207 50 10 JKGE Cc1cc(Br)cc([C@H](Br)c2cc3[nH]c(=O)[nH]c3cc2Br)c1 132000622 GBJFMCHOSNVONR-AWEZNQCLSA-N 474.978 5.174 50 10 JKGE O=[N+]([O-])c1cc(Br)c(Oc2nc(Cl)c(CCl)s2)c(Br)c1 149641727 JFSWALBNPZLFCL-UHFFFAOYSA-N 462.934 5.761 50 10 JKGE Fc1cc2nc(CCl)n(-c3ccc(Cl)cc3Br)c2cc1Br 158677128 FKPXNGWKGNJJPK-UHFFFAOYSA-N 452.936 6.082 50 10 JKGE O=C(N[C@@H]1CCCCC[C@@H]1Br)c1cc(Br)ccc1Br 161234952 YQYVIZWLJJJRHE-QWHCGFSZSA-N 454.000 5.038 50 10 JKGE CC1=C(C#N)C(=O)N(CC(C)C)C(=O)/C1=C\c1cn(-c2ccccc2)nc1-c1cc(C)ccc1C 214271017 IXICQWAZABVGTE-QFEZKATASA-N 464.569 5.404 50 10 JKGE FC(F)(F)c1cc(Oc2ccccc2I)ccc1CBr 218230353 JJPCMTCDEWPFQV-UHFFFAOYSA-N 457.027 5.997 50 10 JKGE COCCc1ccc([C@@H](Br)c2ccc(I)c(Cl)c2)cc1 232342769 XUFSHJSYESSGRO-MRXNPFEDSA-N 465.556 5.618 50 10 JKGE CCCc1cc(C(=O)NN=Cc2cc(Br)ccc2OCc2ccc(Cl)cc2)cs1 254380781 KCYPWSUQVNXKDK-UHFFFAOYSA-N 491.838 6.459 50 10 JKGE COc1ccc(CC(=O)NN=C(C)c2ccc(NC(=O)c3ccc(Cl)cc3Cl)cc2)cc1 254841810 VOGQLROELFPHAT-UHFFFAOYSA-N 470.356 5.337 50 10 JKGE Cc1cc([C@@H](Cl)c2cc(Cl)ccc2I)sc1Br 300475985 NGIXWHNIIUYRKA-NSHDSACASA-N 461.977 6.405 50 10 JKGE CN(Cc1ccccc1)CC(C)(C)n1c(CCl)nc2cc(I)ccc21 379605509 ITRZSOKZIKITRQ-UHFFFAOYSA-N 467.782 5.247 50 10 JKGE Cc1cc(Br)c([C@H](Br)c2ccc(Br)s2)cc1Cl 383480875 SEYYGMPIGXGRPM-LBPRGKRZSA-N 459.428 6.719 50 10 JKGE ClCCCCCOc1c(I)cc(Cl)cc1I 390239057 MPEMTLJNQKXUMU-UHFFFAOYSA-N 484.930 5.337 50 10 JKGE C[C@H](Cl)c1nc2cc(I)ccc2n1[C@H]1CCN(Cc2ccccc2)C[C@H]1C 397952747 MAMBAMLKOXYKSK-GUXCAODWSA-N 493.820 6.024 50 10 JKGE CN(C(=O)OC(C)(C)C)c1ccccc1[C@@H]1CN(CCO[Si](C)(C)C(C)(C)C)CCCO1 616682230 WGCVNLBSOIFXEP-QFIPXVFZSA-N 464.723 5.843 50 10 JKGE CC1(C)COc2c([C@H](Br)c3cscc3Br)cc(Br)cc21 688194671 NDDSKYWNTPGXBZ-ZDUSSCGKSA-N 481.047 6.427 50 10 JKGE BrCC(CBr)(Cc1sccc1Br)C1CCCCC1 696829306 MOSILHVVINVBID-UHFFFAOYSA-N 459.085 6.410 50 10 JKGE C[C@@H]1CC[C@@](C)([C@@H](Br)c2cc(Br)c(Br)s2)C1(C)C 699122870 QRTBDDRUONWLHD-YKHWKNEFSA-N 459.085 7.172 50 10 JKGE BrCC(CBr)(CC[C@@H]1CCCCO1)c1ccc(Br)cc1 699670275 PYIZJYYIGLJNSA-HNNXBMFYSA-N 469.055 5.826 50 10 JKGE O=[N+]([O-])c1ccc(C[C@H](Br)c2scc(Br)c2Br)cc1 705494259 XRFRJGQLJVUGMN-VIFPVBQESA-N 469.980 5.860 50 10 JKGE Cc1sc([C@@H](Br)Cc2ccc(Br)cc2F)c(C)c1Br 724934143 IBKIFSIVRCZJFL-NSHDSACASA-N 471.027 6.708 50 10 JKGE CCOc1ccc(NC(=O)/C(C#N)=C\c2cc(Br)ccc2OCc2ccccc2)cc1 1084057136 YBDRMMXFLUHYDB-ZHZULCJRSA-N 477.358 5.972 50 10 JKGE Cc1cc(C=NNC(=O)c2cc3cc(Br)ccc3o2)c(C)n1-c1ccccc1Cl 1084329088 FXDOYHJRPHFXAC-UHFFFAOYSA-N 470.754 6.020 50 10 JKGE Cc1ccc(C)c(NC(=O)/C(C#N)=C\c2ccc(OCc3ccccc3Cl)c(Br)c2)c1 1084505965 VYJLOPPUIPTDHB-NDENLUEZSA-N 495.804 6.844 50 10 JKGE O=C(CSc1c(Cl)c(Cl)c(Cl)c(Cl)c1Cl)NN=Cc1ccc(O)cc1 1084594900 CJIYTQAZWJCEML-UHFFFAOYSA-N 458.581 5.902 50 10 JKGE ClCc1cc(-c2ccc(I)cc2)nn1-c1ccc(Br)cc1 1614817626 XXPLJEXGIPYMTB-UHFFFAOYSA-N 473.539 5.645 50 10 JKGE Cc1c(C(=O)N2c3ccc(F)cc3CC[C@@H]2C)oc2c1C(=NNC(=O)c1ccccc1F)CCC2 1772743510 APBYELBLUIREAP-HNNXBMFYSA-N 477.511 5.318 50 10 JKGE CC(C)(C)c1ccc(C=NNC(=O)COc2ccc(-c3ccccc3)cc2Br)cc1 1772753136 QJXMAORVXVQTQL-UHFFFAOYSA-N 465.391 5.943 50 10 JKGE Clc1ccc(-c2c(Cl)c(Cl)c(Cl)c(Cl)c2Cl)cc1CBr 1848369270 NRTQAPWXKVCUDU-UHFFFAOYSA-N 453.805 8.169 50 10 JKGE CCOc1ccc(CC(=O)Nc2cccc3c(OC(=O)Nc4ccc(SC#N)cc4)cccc23)cc1 1858772646 UBGJMXFWKFXEBG-UHFFFAOYSA-N 497.576 6.604 50 10 JKGE N#CC1=C(N)Oc2c(c(C(F)(F)F)nn2Cc2c(F)cccc2Cl)[C@H]1c1cccc2ccccc12 1865682202 ISDWNSZRAGZSJA-FQEVSTJZSA-N 498.867 6.114 50 10 JKGE COc1ccc(-c2nn(-c3cccc(Cl)c3)c3c2[C@H](c2ccc(N(C)C)cc2)C(C#N)=C(N)O3)cc1 1865683949 RBMIOJALLCCKEM-XMMPIXPASA-N 497.986 5.485 50 10 JKGE CCCOc1ccc([C@H]2C(C#N)=C(N)Oc3c2c(C)nn3-c2ccccc2Cl)cc1OCC 1865688369 QLQQMSWZYKOOFG-QHCPKHFHSA-N 464.953 5.240 50 10 JKGE CCCc1nn(Cc2cc(C)ccc2C)c2c1[C@@H](c1cn(C)c3ccccc13)C(C#N)=C(N)O2 1865699160 MRHJWPXDSVGVQI-RUZDIDTESA-N 451.574 5.211 50 10 JKGE COc1ccc(-c2nn(Cc3cccc(Cl)c3)c3c2[C@H](c2sccc2C)C(C#N)=C(N)O3)cc1 1865699417 SZRJOIFSKAEFQP-OAQYLSRUSA-N 489.000 5.849 50 10 JKGE COc1ccc(-c2nn(-c3cccc4ccccc34)c3c2[C@@H](c2ccncc2)C(C#N)=C(N)O3)cc1 1865701629 AARGPQZDGJWHNL-VWLOTQADSA-N 471.520 5.314 50 10 JKGE CCCOc1ccccc1[C@@H]1C(C#N)=C(N)Oc2c1c(C(F)(F)F)nn2-c1ccc(C)cc1 1865703083 MSLISSUMEZSWKK-LJQANCHMSA-N 454.452 5.207 50 10 JKGE COc1ccc(-c2nn(C)c3c2[C@H](c2ccc(OCc4ccccc4C)cc2)C(C#N)=C(N)O3)cc1 1865703458 VYBZBJJPXZRNML-RUZDIDTESA-N 478.552 5.201 50 10 JKGE CCCOc1ccccc1/C=C/C(=O)NNC(=O)c1ccc(-c2ccc(Cl)c(Cl)c2)nc1C 1865759213 ODAMLEYIUDOKDE-UKTHLTGXSA-N 484.383 5.627 50 10 JKGE CCOC(=O)c1c(-c2ccc(F)cc2)csc1NC(=O)/C(C#N)=C/c1cccc(Cl)c1 1866129884 QVTQVVNOVZADJV-MHWRWJLKSA-N 454.910 5.930 50 10 JKGE CC(C)(C)c1nc(C(=O)N[C@@H](Cc2ccccc2)C(=O)Nc2ccc(SC#N)cc2)c2ccccn12 1866875709 UCOCDKHBXMLJCG-QFIPXVFZSA-N 497.624 5.185 50 10 JKGE CCOc1ccc(OCC)c(-c2csc(/C(C#N)=C(O)/C=C/c3ccccc3Cl)n2)c1 1872754790 JGPYZXAKAWLPAE-YIDNVDRGSA-N 452.963 6.767 50 10 JKGE COc1ccc(-c2csc(/C(C#N)=C/c3ccc(OCc4ccc(Cl)cc4)cc3)n2)cc1C 1872780985 QONOQROQIFWWDV-HYARGMPZSA-N 472.997 7.424 50 10 JKGE C[C@H](CCBr)N(Cc1ccccc1)Cc1cc(Cl)ccc1I 1915126739 OPHYVMHQPKMSCT-CQSZACIVSA-N 492.626 6.120 50 10 JKGE CC(C)[C@H](CCl)N(Cc1ccccc1)S(=O)(=O)c1c(Cl)cccc1Br 1915267736 GDSSDYDMGBWSEY-KRWDZBQOSA-N 465.240 5.557 50 10 JKGE Cc1c(Br)sc([C@H](Br)c2cc(F)c(F)c(F)c2F)c1Br 1922937767 ZIGVHERJQGSBNN-SSDOTTSWSA-N 496.943 6.622 50 10 JKGE Cc1oc(C)c([C@@H](Br)c2sc(Br)c(C)c2Br)c1C 1922944884 ALTRMHRKGXOMFZ-LLVKDONJSA-N 457.025 6.584 50 10 JKGE FC(F)(F)C([C@@H](Br)c1sc(Br)cc1Br)C(F)(F)F 1922946990 XQEOCYSVPNMRIF-BYPYZUCNSA-N 484.879 6.450 50 10 JKGE FC(F)(F)COCC[C@@H](Br)c1c(Br)sc(Br)c1Cl 1923054410 FFFYJSFKXYEVKD-SCSAIBSYSA-N 495.380 6.332 50 10 JKGE COC[C@@]1([C@H](Br)c2c(Br)sc(Br)c2Cl)CCCO1 1923067462 CUQHRYFMIVGMKJ-LDYMZIIASA-N 483.447 5.558 50 10 JKGE Fc1ccc(C[C@H](Br)c2c(Br)sc(Br)c2Cl)c(F)c1 1923067524 DNOANTVMJGLJBL-ZETCQYMHSA-N 495.408 6.883 50 10 JKGE FC1(F)[C@@H]([C@@H](Br)c2c(Br)sc(Br)c2Cl)C12CCCC2 1923074290 JPUNPLNHOSIWMV-XPUUQOCRSA-N 499.440 7.188 50 10 JKGE C[C@H](C[C@H](Cl)c1c(Br)sc(Br)c1Br)C(C)(C)C 1924583631 MSUMRODSBQACRK-RQJHMYQMSA-N 467.492 7.388 50 10 JKGE Fc1ccc([C@@H](Cl)c2c(Br)sc(Br)c2Br)cc1F 1924589835 FYPFQWUBJVSFOT-SECBINFHSA-N 481.381 6.642 50 10 JKGE C[C@@H]1C[C@@H]2C[C@@H]2C[C@H]1[C@H](Cl)c1c(Br)sc(Br)c1Br 1924613062 GAZQCBMHCHCUKW-HUOUWLIASA-N 477.487 6.998 50 10 JKGE O=C(N[C@@H](CCCC[C@@H]1CCSS1)C(=O)O)OCC1c2ccccc2-c2ccccc21 1951380407 WQUARFWKNVESRO-ZHRRBRCNSA-N 457.617 5.692 50 10 JKGE Cl[C@H](c1c(Br)sc(Br)c1Br)C1(Br)CC1 1956592757 GPCVAZCZJQQXGR-RXMQYKEDSA-N 488.264 6.243 50 10 JKGE Cc1sc(Br)c([C@@H](Cl)c2scc(Br)c2Br)c1C 2024025267 GFUXOEYRDPWYAX-SECBINFHSA-N 479.484 7.042 50 10 JKGE Brc1scc([C@H](Br)c2cc3sccc3s2)c1Br 2025270941 PPSCECHINBQJPZ-VIFPVBQESA-N 473.074 7.034 50 10 JKGE Cc1cc([C@@H](Br)c2ccc(Br)cc2)ccc1I 2026133668 VTYPVLIOONOBQH-AWEZNQCLSA-N 465.954 5.846 50 10 JKGE COc1cc(F)c(Br)cc1[C@@H](Br)c1sncc1Br 2028524324 KRKSWNQZAIJNPT-SNVBAGLBSA-N 459.960 5.300 50 10 JKGE Cl[C@@H](c1c(Br)sc(Br)c1Br)[C@@H]1CC12CCCCC2 2039005975 MEECQGKDXONFRO-OIBJUYFYSA-N 477.487 7.286 50 10 JKGE CCn1cc(Br)c([C@H](Br)c2c(Cl)sc(Cl)c2Cl)n1 2060856729 VJSDSAQOCXIDAE-ZCFIWIBFSA-N 453.414 6.172 50 10 JKGE Clc1ccc(I)c([C@@H](Br)c2ccc(CC3CC3)s2)c1 2087639670 IQVIWBXCLPEFBE-OAHLLOKOSA-N 467.597 6.443 50 10 JKGE COc1ccc([C@@H](Br)c2cccc(Br)c2Br)c(F)c1 2092328212 JIQRCMQWWHMLME-CYBMUJFWSA-N 452.943 5.844 50 10 JKGE C[C@@H](Cl)c1nc2cc(Br)c(Cl)cc2n1C(C)(C)COCc1ccccc1 2103811754 CACOVLKJJAKTEW-CYBMUJFWSA-N 456.211 6.704 50 10 JKGE CC[C@H](Br)[C@H]1CCCCN1C(=O)c1scc(Br)c1Br 2114203050 GBPQQWFJKWIMQJ-WCBMZHEXSA-N 474.056 5.441 50 10 JKGE BrC[C@]1(Cc2cc(Br)ccc2Br)CC12CCCCC2 2118530502 FVVMUAREUYQFBM-INIZCTEOSA-N 451.040 6.490 50 10 JKGE O=S(=O)(c1cc(CBr)ccc1F)N(Cc1ccccc1)Cc1cccs1 2123201103 ROSMSBYATACVCU-UHFFFAOYSA-N 454.386 5.173 50 10 JKGE COc1cc(Cl)c([C@@H](Br)c2cc(Br)n(C)n2)cc1Br 2137655485 LWTUXPBNKVFMBJ-GFCCVEGCSA-N 473.390 5.091 50 10 JKGE FC(F)(F)CC1([C@H](Br)c2ccc(Br)cc2Br)CCC1 2138869054 XXZNBLVJSQODDW-LLVKDONJSA-N 464.945 6.770 50 10 JKGE CCC[C@H]1CN(Cc2ccc(Br)cc2Br)C[C@@H]1CBr 2140786233 LLWAYEACEITBOC-AAEUAGOBSA-N 454.044 5.455 50 10 JKGE Clc1c(Br)sc(Br)c1[C@H](Br)[C@H]1C[C@H]2COC[C@H](C2)C1 2141800658 OHBLVLFSDFNGBE-IBCQBUCCSA-N 493.486 6.425 50 10 JKGE CC1(C)C[C@H](Br)C[C@@H](NC(=O)c2c(Br)cccc2Br)C1 2150492583 BNKAPKBFQVKQQA-NXEZZACHSA-N 468.027 5.284 50 10 JKGE C[C@@H](Cl)c1nc2cc(Br)c(Cl)cc2n1[C@@]1(C)CCN(Cc2ccccc2)C1 2160059355 XRMXUGUISAWAGI-SZNDQCEHSA-N 467.238 6.373 50 10 JKGE CC1(C)COc2c([C@H](Br)c3cc(Br)cs3)cc(Br)cc21 2172565058 PDHAVZFFHOHYNN-ZDUSSCGKSA-N 481.047 6.427 50 10 JKGE COc1cc(C)c([C@H](Cl)c2cc(Cl)ccc2I)cc1Br 2198733302 UTCITSJRNSVMSR-HNNXBMFYSA-N 485.974 6.352 50 10 JKGE Fc1ccc(Br)cc1[C@H](Br)c1c(Br)cc(F)c(Cl)c1F 2201616968 CGSFZFXCPPFZRF-NSHDSACASA-N 493.342 6.767 50 10 JKGE Fc1cc(F)c([C@H](Br)c2sncc2Br)c(F)c1Br 2220496175 DEEZHCOCMWYLIO-QMMMGPOBSA-N 465.914 5.570 50 10 JKGE Fc1cc(Br)c(Br)cc1[C@@H](Br)[C@@H]1CC12CC(F)(F)C2 2225616219 DKYDODPNYPUYTF-WRWORJQWSA-N 462.929 6.222 50 10 JKGE Cc1sc([C@@H](Br)c2cc(Br)cc3c2OCC3)cc1Br 2226081513 DTIKSUBBXYELRI-ZDUSSCGKSA-N 467.020 6.001 50 10 JKGE Cc1cc(Br)c([C@@H](Br)c2ccc(F)cc2)c(C)c1Br 2227350909 YUVLVNCZAZPUGU-HNNXBMFYSA-N 450.971 6.452 50 10 JKGE COc1cc(Br)c([C@@H](Cl)c2ccc(I)cc2)cc1C 2227732831 RYUHWDKXZQPXJF-HNNXBMFYSA-N 451.529 5.699 50 10 JKGE Cc1ccc(I)c([C@H](Cl)c2cc(C3CC3)c(Br)s2)c1 2232224064 VFRRDIIJSQHBMZ-AWEZNQCLSA-N 467.597 6.629 50 10 JKGE Fc1cc(Br)c(Br)cc1[C@H](Br)[C@H]1CC[C@@]2(C1)CC2(F)F 2233976993 RXDDSZDPIIZLLF-HAGUPOPPSA-N 476.956 6.612 50 10 JKGE Clc1ccc([C@@H](CI)OC2CCN(Cc3ccccc3)CC2)cc1 2250386676 LUCUDHIHAGOMKG-HXUWFJFHSA-N 455.767 5.497 50 10 JKGE Fc1cc(Br)c(F)c(Br)c1[C@@H](Br)C(F)(F)C(F)F 2260072924 FGADEQQJQYCRGA-SSDOTTSWSA-N 464.823 5.826 50 10 JKGE Clc1c(Br)csc1[C@@H](Br)c1ccc2c(c1Br)CCO2 2264608206 WPBIYENBJYEPCB-NSHDSACASA-N 487.438 6.346 50 10 JKGE Fc1ccc(Oc2cc(I)ccc2Cl)c(CBr)c1Cl 2272634680 UCTUSWVFFHFHSE-UHFFFAOYSA-N 475.910 6.424 50 10 JKGE Fc1cc(Br)c([C@H](Cl)c2c(F)cccc2I)c(F)c1Cl 2282786921 KTURGXKGIUDIHX-LBPRGKRZSA-N 495.891 6.453 50 10 JKGE COc1ccc([C@H](Br)[C@@]2(C)CC[C@H](C)C2(C)C)cc1I 2285012362 VDKQVPSXSACBMU-XNJJOIOASA-N 451.186 6.198 50 10 JKGE CC(C)(C)c1ccc(C=C(C#N)C(=O)Nc2ncc(Cc3ccc(Br)cc3)s2)cc1 2293038783 ZHMMYVOICCJOHN-UHFFFAOYSA-N 480.431 6.340 50 10 JKGE CC(C)(C)OC(=O)NC[C@H]1C[C@@H](C(F)(F)F)CCN1CCCCCCCBr 2294701163 OJZZDKNAHNOATO-JKSUJKDBSA-N 459.391 5.499 50 10 JKGE COc1c(Br)cc(Cl)c(C)c1[C@@H](Br)c1ccc(Br)cc1 2295261987 DIVZRMDSHIRJNU-AWEZNQCLSA-N 483.425 6.666 50 10 JKGE Cc1cccc(CC[C@@H](Br)Cc2cc(Br)cc(Br)c2)c1 2295337606 MCMZWAMUYHIOMB-OAHLLOKOSA-N 461.035 6.459 50 10 JKGE COc1ccc(NC(=O)C(C#N)=Cc2c(Oc3ccc(C(C)(C)C)cc3)nc3ccccn3c2=O)cc1 2296543701 ZLEFVECFVKWGFE-UHFFFAOYSA-N 494.551 5.339 50 10 JKGE N#CC(=Cc1cccs1)c1nc(-c2ccccc2)c(NC(=O)c2ccc(Br)cc2)s1 2296731239 IAHAYDQJGWMMMA-UHFFFAOYSA-N 492.423 6.951 50 10 JKGE CCOC(=O)C(C#N)=C1S[C@@H](Cc2ccc(Cl)cc2Cl)C(=O)N1c1ccc(C)cc1 2296834924 BZOWRJSFLOHFJE-IBGZPJMESA-N 461.370 5.291 50 10 JKGE N#CC(=Cc1ccc(OCc2ccc(Cl)cc2Cl)cc1)c1nn(-c2ccccc2)c(N)c1C#N 2297296986 YLZBDSJAYAXGKC-UHFFFAOYSA-N 486.362 6.276 50 10 JKGE N#CC(=Cc1ccc(N(c2ccccc2)c2ccccc2)cc1)C(=O)Nc1cccc(C(F)(F)F)c1 2297381484 FLMSZYFIHAQFLZ-UHFFFAOYSA-N 483.493 7.721 50 10 JKGE CC1(C)CO[C@H]([C@@H](Br)c2cc(Br)ccc2OCc2ccccc2)C1 2299534641 GCUNAEYDDCXJKR-OALUTQOASA-N 454.202 6.279 50 10 JKGE Cc1oc(Br)cc1[C@H](Cl)c1cc(Br)ccc1OCc1ccccc1 2299535387 OFRCQXAOCVDBMH-IBGZPJMESA-N 470.588 7.020 50 10 JKGE COc1c(Br)cc(C=C(C#N)C(=O)Nc2cccc(C)c2)cc1Br 2313511133 PRWLVLSQVZSZGQ-UHFFFAOYSA-N 450.130 5.074 50 10 JKGE Fc1cc(Cl)c(Br)c(Cl)c1[C@@H](Br)c1ccc(Cl)s1 2313819575 RPBABJNHDLFXPI-JTQLQIEISA-N 453.385 7.094 50 10 JKGE CCOc1ccc(N2C(=O)[C@@H](Cc3cccc(C)c3)SC2=C(C#N)C(=O)Nc2ccccc2)cc1 2314592549 XHACPIZWCUTCEJ-RUZDIDTESA-N 483.593 5.459 50 10 JKGE CCOc1cc(C=C2C(=O)N(C3CCCCC3)C(=O)C(C#N)=C2C)ccc1OCc1ccc(C)cc1 2314616621 FXLJMSOXIRJLTI-UHFFFAOYSA-N 484.596 5.898 50 10 JKGE CC(C)(C)c1ccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)C=Cc4ccccc4)ccc32)cc1 2314634227 HQTSVVQHEPIWNO-MHZLTWQESA-N 450.538 5.821 50 10 JKGE N#CC(=Cc1ccc(OC(=O)C=Cc2ccc(OCc3ccccc3)cc2)cc1)c1ccc(Cl)cc1 2320506340 HNVVFYSPBMELCY-UHFFFAOYSA-N 491.974 7.602 50 10 JKGE COc1ccc(C=C2Oc3cc(OCc4ccc(CCl)cc4)cc(C)c3C2=O)cc1OC 2325339468 KEJMRSLTPVYRLT-UHFFFAOYSA-N 450.918 5.946 50 10 JKGE CCOC(=O)c1c(-c2ccc(C)cc2)csc1NC(=O)C(C#N)=Cc1cccc(Br)c1 2329699503 MPCQWNCCDXVZNA-UHFFFAOYSA-N 495.398 6.208 50 10 JKGE COCCOc1ccc(C=C(C#N)C(=O)Nc2ccc(Cl)cc2C(=O)c2ccccc2)cc1 2331122938 HHFZAYVXKZBQKT-UHFFFAOYSA-N 460.917 5.142 50 10 JKGE N#CC(=C(O)c1ccc(N2CCCC2)c([N+](=O)[O-])c1)c1nc(-c2ccc(Cl)cc2)cs1 2331300549 PAXVNJLGCLJDDS-UHFFFAOYSA-N 452.923 5.922 50 10 JKGE N#CC(=C(O)c1ccc(N2COc3ccc4ccccc4c3C2)cc1)c1nc(-c2ccccc2)cs1 2331301050 PUADMJFSZXIXQG-UHFFFAOYSA-N 487.584 7.270 50 10 JKGE Cc1cc(-c2csc(C(C#N)=C(O)CNC(=O)c3ccc(Cl)cc3Cl)n2)ccc1F 2331320454 PIKVXFQKSJKOMK-UHFFFAOYSA-N 462.333 5.787 50 10 JKGE CCCCCCCOc1ccc(-c2csc(C(C#N)=C(O)c3ccc(Cl)cc3[N+](=O)[O-])n2)cc1 2331345968 NOWCODZJOYOLAD-UHFFFAOYSA-N 498.004 7.671 50 10 JKGE Cc1cc(C)c(-c2csc(C(C#N)=C(O)[C@@H]3CC(=O)N([C@H](C)c4ccccc4)C3)n2)c(C)c1 2331393874 CIVQHXGATFAPFS-TZIWHRDSSA-N 457.599 6.138 50 10 JKGE COc1c(Cl)cc(-c2csc(C(C#N)=C(O)[C@H](C)Oc3ccc(C(C)C)cc3)n2)cc1Cl 2331397636 SHWHUOQPBYBNFR-AWEZNQCLSA-N 489.424 7.509 50 10 JKGE N#CC(=C(O)CCCN1C(=O)c2ccccc2C1=O)c1nc(-c2ccc(Cl)s2)cs1 2331400724 NJHIXJDTEXUXJC-UHFFFAOYSA-N 455.948 5.394 50 10 JKGE CCOc1c(C=C(C#N)c2nc(-c3cc(Cl)c(OC)cc3OC)cs2)cccc1OC 2331471831 KUVYHLFSYYDVDK-UHFFFAOYSA-N 456.951 5.952 50 10 JKGE COc1c(Br)cc(C)c([C@H](Br)[C@@H]2CC[C@H](C)C2)c1Br 2339640027 TYORZFMTKINWOG-IYYTYJHQSA-N 455.028 6.401 50 10 JKGE COc1c(Br)cc(C)c([C@H](Br)[C@@H]2CCO[C@H]2C)c1Br 2339651839 SRFKYYSXLLDRDX-YGOYTEALSA-N 457.000 5.390 50 10 JKGE COCc1cc(Br)c([C@H](Cl)c2ccc(Cl)cc2I)s1 2340064001 CNDXZMCXJGQTOX-GFCCVEGCSA-N 492.003 6.243 50 10 JKGE Fc1ccc(CCl)c(OCc2ccc(I)c(Br)c2)c1 2349810239 SBTCWHJVWBWRAQ-UHFFFAOYSA-N 455.492 5.511 50 10 JKGE Clc1ccc(I)cc1C[C@H](CBr)C1CCCCCC1 2352369770 IJUANYPBNXXJNI-CQSZACIVSA-N 455.605 6.469 50 10 JKGE Clc1ccc(I)cc1CN1CC2(CCC2)C[C@@H]1CBr 2352411793 WYDYOURCVHNLRQ-CYBMUJFWSA-N 454.577 5.084 50 10 JKGE C[C@H](Br)CN(Cc1cc(I)ccc1Cl)CC(C)(C)C 2352415865 NMJNQMCQQWYVPB-NSHDSACASA-N 458.609 5.576 50 10 JKGE COc1ccc([C@@H](Br)[C@@]2(C)CC[C@@H](C)C2(C)C)cc1I 2359457646 VDKQVPSXSACBMU-RGYTYGDFSA-N 451.186 6.198 50 10 JKGE Cn1nc(Br)c(Br)c1[C@H](Br)c1cc(Cl)cc2c1OCC2 2364227652 BXGVYQIGGOBUQR-SECBINFHSA-N 485.401 5.018 50 10 JKGE O=C(NC[C@@H]1CCCC[C@@H](Br)C1)c1ccc(Cl)cc1I 2365600183 ZGDFTMWNDZWXNM-GHMZBOCLSA-N 470.576 5.018 50 10 JKGE CCOc1ccccc1N/C(SCc1ccccc1F)=C(/C#N)C(=O)NCc1cccs1 3058973 QJYNCTYBGZVTNE-LYBHJNIJSA-N 467.591 5.683 50 10 JKGE CC(C)(C)c1cc([C@H]2C(C#N)=C(N)Oc3[nH]nc(-c4ccc5ccccc5c4)c32)cc(C(C)(C)C)c1O 9861086 JMTYPCJLSKTPPU-DEOSSOPVSA-N 492.623 6.749 50 10 JKGE Cc1cc([C@@H]2C(C#N)=C(N)N(c3ccc(Cl)cc3)C3=C2C(=O)C[C@@H](c2ccccc2)C3)c(C)s1 9981336 CMZWEKKBXPEJCD-AFMDSPMNSA-N 486.040 6.717 50 10 JKGE CC(C)c1ccc(OCC(=O)NNC(=O)c2ccc(NC(=O)c3ccc(C(C)(C)C)cc3)cc2)cc1 13981657 UCUWSOXPDUHTMQ-UHFFFAOYSA-N 487.600 5.200 50 10 JKGE CCc1ccc(O[C@H](C)C(=O)NNC(=O)c2ccc(NC(=O)c3ccc(C(C)(C)C)cc3)cc2)cc1 14039921 YECOLSPDFVTCCZ-LJQANCHMSA-N 487.600 5.027 50 10 JKGE CCOC(=O)Nc1sc(/C(C#N)=C\c2ccc(OC)c(OC)c2)nc1-c1ccc(Cl)cc1 15227193 GBXWTIGQDURRIU-WJDWOHSUSA-N 469.950 6.113 50 10 JKGE N#C/C(=C\c1ccc(-c2cc(Cl)ccc2Cl)o1)C(=O)Nc1ccc(Cl)cc1Cl 28287366 RFFKBJZUDRSMCJ-YRNVUSSQSA-N 452.124 7.106 50 10 JKGE C/C(=N/NC(=O)CNc1cccc(C(F)(F)F)c1)c1ccc2c(c1)Nc1ccccc1S2 33671235 VWSKNFHNWGWQDB-NUJZUDFISA-N 456.493 5.866 50 10 JKGE Cc1cc(/C=C(/C#N)C(=O)Nc2cccc(C(F)(F)F)c2)c(C)n1-c1ccc(Br)cc1 34738292 KPFRSDKNCLZCSE-BOPFTXTBSA-N 488.307 6.421 50 10 JKGE C=CCOc1cccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4ccc(OC(C)C)cc4)ccc32)c1 38684565 IEOXJLGLVWCJPE-MHZLTWQESA-N 482.536 5.476 50 10 JKGE CCCCOc1ccc(-c2csc(NC(=O)/C(C#N)=C/c3ccc(OCCC)cc3)n2)cc1 40928681 ADAJLHHEOFNSAB-LTGZKZEYSA-N 461.587 6.323 50 10 JKGE O=C(CCCSc1nc2ccccc2s1)N/N=C/c1ccccc1OCc1ccccc1 59519467 HJAKAWMYXRJLPW-YZSQISJMSA-N 461.612 5.898 50 10 JKGE COc1cc(/C=C(\C#N)c2ccc([N+](=O)[O-])cc2)cc(Cl)c1OCc1ccc(Cl)cc1Cl 59536755 KXJVRFGPYKLYDC-CAOOACKPSA-N 489.742 7.207 50 10 JKGE CCCCCCOc1ccc(/C=C/C(=O)Oc2cccc(/C=C(/C#N)C(=O)OCC)c2)cc1OC 98028240 NRRLGTXGLIFBBQ-BNIUNONASA-N 477.557 5.743 50 10 JKGE COc1ccc(COc2ccc(CBr)cc2Br)cc1Br 110379508 ZJCNVOBXDKRJLV-UHFFFAOYSA-N 464.979 5.694 50 10 JKGE C[C@H](CCBr)CCOc1c(Br)cc([N+](=O)[O-])cc1Br 115234436 LMLQCJUEDUMHCI-MRVPVSSYSA-N 459.960 5.310 50 10 JKGE CC1=C(/C=C/C(C)=C/C=C/C(C)=C/C=O)C(C)(C)CC[C@@H]1OC(=O)/C=C/CCCCCCCO 201289858 SWZYVFQHDUIVRB-KIMWCCOUSA-N 468.678 7.128 50 10 JKGE CCCCOc1ccccc1[C@H]1C(C#N)=C(N)Oc2cc(OC(=O)/C=C\c3ccccc3)ccc21 205655720 WAWHVTWFJLNZRI-GYEIXLCQSA-N 466.537 5.702 50 10 JKGE CCCCCCOc1ccc(/C=C(/C#N)C(=O)Nc2sc3c(c2C(=O)OCC)CCC3)cc1OC 206234705 MTDRHADJQCYOSH-CYVLTUHYSA-N 496.629 5.927 50 10 JKGE CCC[C@@H](CCBr)CNC(=O)c1cc(Br)c(Br)s1 227498958 JNSHZBLGJITUCT-QMMMGPOBSA-N 462.045 5.204 50 10 JKGE Brc1ccc(Br)c([C@@H](Br)c2csc(Br)c2)c1 232483700 PBTGSZGTWYYRGX-NSHDSACASA-N 489.852 6.520 50 10 JKGE COc1ccc([C@H](Br)c2ccc(Cl)c(Br)c2)cc1Br 234997198 NQNWAKALYPOUFD-CQSZACIVSA-N 469.398 6.358 50 10 JKGE ClCc1cc(Br)c(OCc2cc(Cl)ccc2Cl)c(Br)c1 236020477 QNKTYBICUNRDDY-UHFFFAOYSA-N 459.392 6.836 50 10 JKGE Fc1ccc(C[C@H](Cl)c2cc(Br)ccc2I)cc1F 236176369 VIRLECNFDZASNW-NSHDSACASA-N 457.483 5.855 50 10 JKGE Brc1cc([C@H](Br)[C@@H]2[C@H]3CCc4ccccc4[C@@H]32)c(Br)s1 250846305 ITXOQDMHUAKBGJ-HPEDKQMDSA-N 477.059 6.685 50 10 JKGE CCCCCC[C@H](C)O[C@@]1(CI)CCCN(C(=O)OC(C)(C)C)C1 303741207 JRAWKJRLZYODDW-QFBILLFUSA-N 453.405 5.567 50 10 JKGE O=C(OCc1ccccc1)N1C[C@@H](CI)[C@@H](c2ccc(Cl)cc2)C1 382684224 GRBPKNYXXICEOV-SJLPKXTDSA-N 455.723 5.127 50 10 JKGE Cc1ccc(COc2c(Br)cc(Br)cc2CBr)cc1C 383732800 GISKGLLJDARAOD-UHFFFAOYSA-N 463.007 6.302 50 10 JKGE COc1c(Br)cc(Cl)cc1[C@@H](Cl)c1ccc(OCc2ccccc2)cc1 394199372 RPKBJLNJLYKAQL-FQEVSTJZSA-N 452.175 7.018 50 10 JKGE CC[C@@](CBr)(Cc1cc(Cl)ccc1I)c1ccccc1 405520947 JDDQRMUFYLGVPA-KRWDZBQOSA-N 463.584 6.230 50 10 JKGE CC(C)(C)[Si](C)(C)OCCc1ccccc1[C@@H]1CCN(S(=O)(=O)c2ccccc2)CCO1 616592306 DAHNVGQDCVXWQG-DEOSSOPVSA-N 475.727 5.403 50 10 JKGE COCc1cc(Br)c([C@@H](Br)Cc2ccc(Cl)c(Cl)c2)s1 688061680 PMVPZXICZSPOEC-JTQLQIEISA-N 459.030 6.643 50 10 JKGE COCc1cc(Br)c([C@H](Br)c2ccc(C)cc2Br)s1 688144918 MEIQRZWXKRVYLH-CYBMUJFWSA-N 469.036 6.212 50 10 JKGE Fc1ccc([C@H](Br)Cc2cccc(Br)c2)c(F)c1Br 691636474 QFTLRSGZSDZBBU-LLVKDONJSA-N 454.934 6.169 50 10 JKGE Brc1cc2c(c([C@@H](Br)Cc3ccccc3Br)c1)OCC2 692448698 PLYIBFILZRYYEH-HNNXBMFYSA-N 460.991 5.825 50 10 JKGE Fc1cc(I)ccc1-n1c(CCl)nc2cc(Br)ccc21 697792166 KQYAEGVBFFKJEZ-UHFFFAOYSA-N 465.491 5.271 50 10 JKGE Brc1ccc(I)cc1[C@H](Br)c1ccc(C2CC2)s1 707930472 NIMZGDRTWIXBSY-AWEZNQCLSA-N 498.021 6.477 50 10 JKGE BrC[C@@H](Cc1ccc(Br)cc1)Cc1ncc(Br)s1 713619305 VDRKMNCWAILYBJ-JTQLQIEISA-N 454.025 5.464 50 10 JKGE N#C/C(=C/c1cn(Cc2ccc(F)cc2Cl)c2ccccc12)c1nn(-c2ccccc2)c(N)c1C#N 1083927153 WVAIZXMUCQKRSW-UNOMPAQXSA-N 492.945 6.186 50 10 JKGE COc1cc(/C=C(/C#N)C(=O)Nc2ccc(Cl)c(Cl)c2)ccc1OC(=O)c1ccccc1 1084083103 JYNNZZKESOTTIY-BOPFTXTBSA-N 467.308 5.767 50 10 JKGE O=C(NN=Cc1cc(-c2ccccc2)n(-c2ccc(Cl)cc2)c1-c1ccccc1)c1ccccc1F 1084383850 SPQLTFNQSQJSKN-UHFFFAOYSA-N 493.969 7.368 50 10 JKGE Cc1cccc(C)c1-n1c(C)c(Br)c(C=NNC(=O)CCSc2ccccc2)c1C 1084529914 RPIPGFNTSGDJIA-UHFFFAOYSA-N 484.463 6.106 50 10 JKGE CCOc1cc(C=NNC(=O)c2ccccc2Br)ccc1OCc1cccc(C#N)c1 1084597060 DCNUKWRKCUDPIC-UHFFFAOYSA-N 478.346 5.062 50 10 JKGE CC(C)c1nc2c(Cl)cc(C(F)(F)F)cn2c1CNCCC(=O)Nc1ccc(SC#N)cc1 1860714807 XPULPSULGMWIAY-UHFFFAOYSA-N 495.958 5.821 50 10 JKGE COc1cc(/C=C/C(=O)Nc2ccc(SC#N)cc2)ccc1OCc1ccc(Cl)cc1 1861861851 QQXYUIISQCEKNY-WLRTZDKTSA-N 450.947 6.153 50 10 JKGE CCCCOc1ccc([C@H]2C(C#N)=C(N)Oc3c2c(CCC)nn3Cc2ccc(F)cc2)cc1OC 1865696787 KKRCAOSPYGVYBX-VWLOTQADSA-N 490.579 5.429 50 10 JKGE CCc1nn(CC(C)C)c2c1[C@@H](c1ccc(OCc3ccc(Cl)cc3Cl)cc1)C(C#N)=C(N)O2 1865701379 UJPXAHDEBQMYDU-QHCPKHFHSA-N 497.426 6.205 50 10 JKGE CCCc1nn(Cc2ccc(Cl)c(Cl)c2)c2c1[C@@H](c1ccc(C(=O)O)cc1)C(C#N)=C(N)O2 1865709326 UONWFDHLSCISQI-FQEVSTJZSA-N 483.355 5.107 50 10 JKGE Cc1nc(-c2ccc(Cl)cc2Cl)ccc1C(=O)NNC(=O)c1ccc(OCC(C)C)cc1 1865759673 LUOJHEPYAURVNQ-UHFFFAOYSA-N 472.372 5.473 50 10 JKGE CCOC(=O)c1cnn(-c2ccc(Cl)cc2)c1NC(=O)/C(C#N)=C/c1cccc(Br)c1 1866131672 HUPDCNBSTXLWLL-XNTDXEJSSA-N 499.752 5.011 50 10 JKGE O=c1c(Oc2ccccc2Br)coc2cc(OCc3cccc(CCl)c3)ccc12 1871436918 CDOKKBUQOWRFHA-UHFFFAOYSA-N 471.734 6.666 50 10 JKGE COc1cc(OC)c(OC)cc1/C=C1\Oc2cc(OCc3ccc(CCl)cc3)cc(C)c2C1=O 1871437098 XYJFPUKREUGPRA-GATIEOLUSA-N 480.944 5.955 50 10 JKGE CCc1ccc(OCCC/C(O)=C(\C#N)c2nc(-c3ccc(OC)cc3)cs2)c(Br)c1 1872746142 UMGCCJKDSSGHFL-QOCHGBHMSA-N 499.430 6.795 50 10 JKGE C[C@H](Oc1ccc(Cl)cc1Cl)/C(O)=C(\C#N)c1nc(-c2ccc(Br)cc2)cs1 1872746324 CGDXZWDMPDKPEA-HSHIVQNRSA-N 496.213 7.140 50 10 JKGE CCc1cccc(C)c1N1C[C@@H](/C(O)=C(\C#N)c2nc(-c3ccc(F)c(C)c3)cs2)CC1=O 1872750018 SRTKICJRLPMUKO-RPYJSOBJSA-N 461.562 5.974 50 10 JKGE Cc1ccc(-c2csc(/C(C#N)=C(\O)CNC(=O)c3ccc(Cl)cc3Cl)n2)cc1C 1872756376 JHUTXQGVOPBRJM-JZJYNLBNSA-N 458.370 5.956 50 10 JKGE COc1ccc(Cl)cc1-c1csc(/C(C#N)=C(\O)[C@@H](C)Oc2ccccc2C(C)C)n1 1872758903 WDSLKBURBSJODM-GUYLDNPGSA-N 454.979 6.856 50 10 JKGE CCCCCOc1ccc(/C=C(\C#N)c2nc(-c3cccc(Br)c3)cs2)cc1 1872784519 RBIFBKQKQMKKBB-CPNJWEJPSA-N 453.405 7.206 50 10 JKGE N#C/C(=C\c1ccc(OC(=O)c2ccccc2)cc1)c1nc(-c2ccc(Cl)c(Cl)c2)cs1 1872790697 ZOWFKPZIXGUZDA-XDHOZWIPSA-N 477.372 7.400 50 10 JKGE COc1cc(Br)cc(/C=C(\C#N)c2nc(-c3ccc(C(C)C)cc3)cs2)c1O 1872791307 GBVCYBZUOWRZRM-CAOOACKPSA-N 455.377 6.474 50 10 JKGE BrC[C@]1(Cc2ccc(I)c(Br)c2)C=CCC1 1904344267 RUOJVLWORNZPCL-CYBMUJFWSA-N 455.959 5.328 50 10 JKGE O=S(=O)(c1cc(Br)cc(CCl)c1F)N(Cc1ccccc1)Cc1cccs1 1914891405 MUIATHSRHJXLFY-UHFFFAOYSA-N 488.831 5.780 50 10 JKGE CC[C@@H](Br)CN(Cc1ccccc1)c1ccccc1S(=O)(=O)C(F)(F)F 1915084681 UYJLJKIYGNXAHZ-OAHLLOKOSA-N 450.320 5.160 50 10 JKGE O=C(c1cc(F)cc(Br)c1)N(Cc1ccccc1)[C@H](CBr)C1CC1 1915313039 LWVCOGNISSWMHR-GOSISDBHSA-N 455.165 5.404 50 10 JKGE Cc1c(Br)sc([C@@H](Br)Cc2c(F)cccc2Cl)c1Br 1922884216 REIDKWVTKCCTRA-QMMMGPOBSA-N 491.445 7.053 50 10 JKGE CCc1ccccc1[C@H](Br)c1sc(Br)c(C)c1Br 1922946704 UOWWAGTXLOGDFY-LBPRGKRZSA-N 453.037 6.628 50 10 JKGE Cc1ccc([C@H](Br)c2sc(Br)c(C)c2Br)cc1Cl 1922953291 BPAAHQMJBMXLLV-NSHDSACASA-N 473.455 7.028 50 10 JKGE Cl[C@H](C[C@@H]1CCCO1)c1c(Br)sc(Br)c1Br 1924581044 WSGNKCVPHRNXPZ-NTSWFWBYSA-N 453.421 5.885 50 10 JKGE CC1(CC[C@@H](Cl)c2c(Br)sc(Br)c2Br)CC1 1924612546 CDEUXJXGWNSZFU-ZCFIWIBFSA-N 451.449 6.896 50 10 JKGE CC(C)([C@@H]1CCCO1)[C@H](Cl)c1c(Br)sc(Br)c1Br 1924616933 VLBGDEOPAJSZDW-IMTBSYHQSA-N 481.475 6.521 50 10 JKGE Clc1cc(Br)ccc1[C@H](Br)Cc1ncccc1Br 1924860798 JMNYDPYMSDCJSF-LLVKDONJSA-N 454.387 5.939 50 10 JKGE CCc1cc(Br)c([C@@H](Br)c2cccc(OCc3ccccc3)c2)s1 1942102993 ZUHAXSPCQBKNQA-IBGZPJMESA-N 466.238 7.136 50 10 JKGE CCc1sc(Br)cc1[C@H](Br)c1ccc(I)cc1 1943034162 RGCRQNOQBRVNJF-CYBMUJFWSA-N 486.010 6.162 50 10 JKGE CC1(C)CC[C@@H]1[C@@H](Cl)c1c(Br)sc(Br)c1Br 1987991005 NOVUORKSIHHHGH-SVGQVSJJSA-N 451.449 6.752 50 10 JKGE Cc1cc(Br)c(CBr)c(N(Cc2ccccc2)[C@H](C)C(C)(C)C)c1 2005452141 DMYVIMPKTGPFLK-MRXNPFEDSA-N 453.262 7.094 50 10 JKGE Clc1cc(I)ccc1-n1c(Cl)nc(Cl)c1CBr 2006648563 VTRGOPPDIKREOA-UHFFFAOYSA-N 466.331 5.332 50 10 JKGE Fc1cc([C@@H](Br)c2cc(I)sn2)c(F)cc1Br 2007645705 UEAMOMCFDUYGTJ-SNVBAGLBSA-N 494.924 5.273 50 10 JKGE Cl[C@H](C[C@]12CCC[C@H]1C2)c1c(Br)sc(Br)c1Br 2010968343 NNQKRXBPYLHJOG-QRPMWFLTSA-N 463.460 6.896 50 10 JKGE FC(F)(F)[C@H]1CCc2c(Br)ccc(Br)c2[C@@H](Br)C1 2029771305 QAHSPQLLBZNBDR-WKEGUHRASA-N 450.918 6.162 50 10 JKGE FC(F)(F)C[C@@H](CBr)NCc1ccc(Br)cc1Br 2031402279 HGBHGYDLTHUWCZ-VIFPVBQESA-N 453.922 5.017 50 10 JKGE CCS(=O)(=O)c1ccc(-c2nn(-c3ccccc3)cc2C=C(C#N)c2nc3ccccc3s2)cc1 2040582328 MPEMADMVOAHQHK-UHFFFAOYSA-N 496.617 6.007 50 10 JKGE COc1cc(Br)c(C)cc1[C@H](Br)c1cc(Br)cs1 2052452501 ZBPDTBNWLAALAG-ZDUSSCGKSA-N 455.009 6.074 50 10 JKGE CO[C@H]1C[C@H]([C@@H](Br)c2cc(Br)c(Br)s2)C[C@H]1OC 2054486615 MREZQAJSZHVJAP-GPUHXXMPSA-N 463.029 5.149 50 10 JKGE NC[C@@H](c1ccc(OCc2ccccc2)c(OCc2ccccc2)c1)N1CCSSCC1 2071268673 YBQLDLRLJYHNIB-DEOSSOPVSA-N 466.672 5.541 50 10 JKGE Cc1cc(Br)c(C)c([C@@H](Br)c2sccc2F)c1Br 2081072665 WWHFFBXHIUTBON-GFCCVEGCSA-N 457.000 6.513 50 10 JKGE C[C@H](c1ccccn1)[C@H](Br)c1ccc(Br)cc1I 2086149672 QPZVRXTZMVCCRV-OTYXRUKQSA-N 480.969 5.688 50 10 JKGE Fc1cc(Br)cc(F)c1C[C@H](Br)c1ccccc1Br 2113447338 PRWALOJKSMVCPQ-LBPRGKRZSA-N 454.934 6.169 50 10 JKGE Fc1ccc(F)c(C[C@@H](Br)c2cccc(Br)c2)c1Br 2113493551 OUOLZJHVSWHBSD-LLVKDONJSA-N 454.934 6.169 50 10 JKGE Clc1cc(Br)cnc1C[C@@H](CBr)c1ccccc1Br 2127194387 CJNMLZQLNUXBLO-VIFPVBQESA-N 468.414 5.981 50 10 JKGE COc1c(C)cc([C@@H](Br)c2c(Br)cccc2Br)cc1C 2150495465 XFFSAZTXPCPYLA-OAHLLOKOSA-N 463.007 6.321 50 10 JKGE CC(C)(C)C[C@@H](CBr)CNC(=O)c1c(Br)cccc1Br 2156323052 GMIYMZGBUWWNNO-JTQLQIEISA-N 470.043 5.389 50 10 JKGE CC1(C)CCC[C@@](CBr)(Cc2cccc(Br)c2Br)CC1 2157075552 LOYUVAGSGCCGSN-KRWDZBQOSA-N 467.083 7.126 50 10 JKGE CC(C)(C)[C@@]1(CBr)CCN(C(=O)c2scc(Br)c2Br)C1 2160949310 GFMYTRZZZQNZJW-CQSZACIVSA-N 488.083 5.546 50 10 JKGE Cc1c(Cl)cc([C@@H](Cl)c2cc(Br)c(Cl)cc2F)cc1Br 2167384621 PBLWIAUWJRBFBP-CQSZACIVSA-N 461.383 7.294 50 10 JKGE BrCC(CBr)(C[C@H]1C[C@H]2CC[C@H]1O2)c1cccc(Br)c1 2168069053 FBGRLMVBMGPTAG-KCPJHIHWSA-N 467.039 5.434 50 10 JKGE FC(F)(F)c1csc([C@H](Cl)c2c(Cl)cccc2Br)c1Br 2169460754 GSSBICGSUDBUAO-SNVBAGLBSA-N 468.947 7.274 50 10 JKGE COc1ccc(CC[C@H](Br)c2ccc(Br)cc2)cc1Br 2169800005 XQTQGTIBKOOYQZ-AWEZNQCLSA-N 463.007 6.289 50 10 JKGE Brc1ccc(Br)c(CN2CCC[C@@H]3CC[C@@H](Br)C[C@@H]32)c1 2175153977 DCNPCQLBURRBDJ-XFJVYGCCSA-N 466.055 5.740 50 10 JKGE CN([C@H]1CC[C@@H]1OCc1ccccc1)S(=O)(=O)c1cc(Cl)cc(CBr)c1Cl 2179858471 OXCPBBPIMBFWSO-IRXDYDNUSA-N 493.250 5.257 50 10 JKGE CC(C)(C)OC(=O)NCC1CC([S@](C)(=O)=NCC2(CBr)CCCCCC2)C1 2192623435 FZXSOUWBNWMJFI-ZVIMNXSKSA-N 465.498 5.123 50 10 JKGE Cc1cc(Br)c(C)c([C@H](Br)[C@@H]2C[C@H]3O[C@H]2[C@H]2C[C@H]23)c1Br 2201064939 LVLHSLCMUWTIJL-PIMFOBKBSA-N 465.023 5.688 50 10 JKGE Fc1cc(Br)c(Br)cc1[C@@H](Br)c1sccc1Cl 2213491175 BJXYZLJFFPNTKH-SNVBAGLBSA-N 463.391 6.550 50 10 JKGE Cc1sc(Br)c(C)c1[C@@H](Br)c1ccc(Cl)cc1Br 2218801094 QTSVMPFEECMPOW-LBPRGKRZSA-N 473.455 7.028 50 10 JKGE Cc1cc(Br)c([C@@H](Br)[C@]2(Cl)CC2(C)C)c(C)c1Br 2222052121 GEWNGGACOPURBN-TZMCWYRMSA-N 459.447 6.672 50 10 JKGE O=S1(=O)CC[C@H]([C@@H](Br)c2c(Br)cc(Cl)c(Cl)c2Cl)C1 2224303702 YXPBUPQPJFHKAV-SSDLBLMSSA-N 471.425 5.280 50 10 JKGE CCCN[C@H](c1c(Br)cc(Cl)c(Cl)c1Cl)[C@@H]1C[C@@H]1Br 2224311578 QYKINBYJWJVCHX-HHSDFAELSA-N 450.429 6.233 50 10 JKGE Cc1ccc(Br)c([C@@H](Cl)c2cc(Br)c(Br)cc2F)c1 2225635925 XYNSCCUXECGOCS-CQSZACIVSA-N 471.389 6.750 50 10 JKGE CC(C)(C)OC(=O)N1CCC[C@](CI)(O[C@H]2CCCC[C@@H]2C(F)(F)F)C1 2231401778 YVRWZZVURUNSSU-GRDNDAEWSA-N 491.332 5.329 50 10 JKGE CCCN[C@@H](c1c(Br)cc(Cl)c(Cl)c1Cl)[C@H]1C[C@H](Br)C1 2232525886 FHLWZFSVJSAPNU-WFEFGEHDSA-N 464.456 6.624 50 10 JKGE COCc1ccccc1[C@@H](Br)c1cc(Br)c(Br)cc1F 2233976300 OEARRAGCWQBDEB-OAHLLOKOSA-N 466.970 5.981 50 10 JKGE Cc1sc(Br)cc1[C@H](Br)c1c(F)cccc1I 2247988628 XOGGYODZDXWONN-LBPRGKRZSA-N 489.973 6.047 50 10 JKGE Cl[C@@H](Cc1cc(Br)cc(Br)c1)c1cc(Br)cs1 2252835981 WIPFKPFRYOYBNA-NSHDSACASA-N 459.428 6.558 50 10 JKGE FC[C@@]12CC[C@@]([C@H](Br)c3cc(Br)c(Br)s3)(CO1)C2 2261559204 OHIPLCPETUMHMT-USWWRNFRSA-N 463.004 5.618 50 10 JKGE CN(Cc1ccccc1I)c1ccc(Br)cc1CBr 2265529874 LSWJVICVPJIHGV-UHFFFAOYSA-N 494.996 5.585 50 10 JKGE CCN(C[C@@](C)(CI)OCC[C@@H](C)CCCC(C)C)C(=O)OC(C)(C)C 2269406743 QBMHAHMCMIINQA-GHTZIAJQSA-N 483.475 6.306 50 10 JKGE COc1ccc([C@@H](Cl)c2cc(C)cc(Br)c2)cc1I 2269544334 NXNCIZYOVOBLQY-OAHLLOKOSA-N 451.529 5.699 50 10 JKGE COc1c([C@@H](Br)c2ccccc2Br)cc(Br)c(C)c1C 2284526405 VDDSTALRKFSCQE-HNNXBMFYSA-N 463.007 6.321 50 10 JKGE Fc1cc(Br)c(F)c(Br)c1[C@@H](Br)C1CC2(CCCC2)C1 2288348100 BLQRLGUQWVWTEA-LBPRGKRZSA-N 472.993 6.896 50 10 JKGE COC(=O)c1ccc(C(=O)OC)c(NC=C(C#N)c2nc(-c3cccc(Br)c3)cs2)c1 2295937318 UUESWGUPQBGEHC-UHFFFAOYSA-N 498.358 5.122 50 10 JKGE Cc1ccc(NC(=O)C(C#N)=Cc2c(Oc3ccc(Cl)cc3)nc3ccccn3c2=O)cc1C 2296719426 PPZSFCDRFOBVAG-UHFFFAOYSA-N 470.916 5.303 50 10 JKGE COc1ccc(-c2nn(-c3ccccc3)cc2C=C(C#N)c2nc(-c3ccco3)cs2)cc1 2297369234 JOSQXNCICLHLCW-UHFFFAOYSA-N 450.523 6.329 50 10 JKGE FC(F)C1CC(C[C@@H](Br)c2sc(Cl)cc2I)C1 2300957752 SBVGMBLMAITUBD-KPGICGJXSA-N 455.533 6.124 50 10 JKGE Fc1cccc(Br)c1[C@@H](Cl)c1sc(Cl)cc1I 2301085665 GYCCBNNYOFVMDQ-SNVBAGLBSA-N 465.940 6.236 50 10 JKGE COc1ccc(NC(=O)C(C#N)=Cc2cccc(OCc3ccc(Cl)cc3Cl)c2)cc1 2313541003 JILSPDNELXFCQZ-UHFFFAOYSA-N 453.325 6.127 50 10 JKGE N#CC(=Cc1cc(Br)c(Sc2ccc(Cl)cc2)o1)C(=O)Nc1ccccc1Cl 2313562073 CGJGMRYODWMCBN-UHFFFAOYSA-N 494.197 7.046 50 10 JKGE COc1cc(C=C(C#N)C(=O)Nc2ccc(Cl)c(Cl)c2)ccc1OCc1ccccc1 2313630681 DRQQHNDVZXFLRJ-UHFFFAOYSA-N 453.325 6.127 50 10 JKGE O=C(Cl)C=Cc1cc(Cl)c(OCc2ccc(Cl)cc2Cl)c(Br)c1 2314019602 RSBQAADAKWLGNB-UHFFFAOYSA-N 454.962 6.767 50 10 JKGE COc1ccc(N2C(=O)[C@H](Cc3ccccc3C)SC2=C(C#N)C(=O)Nc2ccccc2)cc1 2314591644 AIZQJEAAWYQHQU-DEOSSOPVSA-N 469.566 5.069 50 10 JKGE CCOc1ccc(N2C(=O)[C@H](Cc3ccccc3)SC2=C(C#N)C(=O)Nc2ccccc2OC)cc1 2314591720 CCQWTXFUXPVCMD-VWLOTQADSA-N 499.592 5.159 50 10 JKGE C=CCNC(=O)C(C#N)=C1S[C@@H](Cc2ccc(Cl)c(Cl)c2)C(=O)N1c1ccc(C)c(C)c1 2314594075 YRVGTJZOVPSQDK-NRFANRHFSA-N 486.424 5.339 50 10 JKGE CCOc1ccccc1[C@H](Br)c1sc(Cl)cc1I 2316769020 FNKNNICCHQGERJ-LBPRGKRZSA-N 457.558 5.889 50 10 JKGE COCc1ccc([C@H](Br)c2ccc(Cl)cc2I)s1 2317774144 OUWIVUXBAXAPOO-CYBMUJFWSA-N 457.558 5.637 50 10 JKGE Cc1ccc(COc2ccccc2C=NNC(=O)c2ccc3[nH]c4c(c3c2)C[C@H](C)CC4)cc1 2323166512 IAVORGSEOMWOFI-HXUWFJFHSA-N 451.570 5.944 50 10 JKGE CSCC[C@@H](NC(=O)C=C(c1ccc(C)c(C)c1)C1CC1)C(=O)Nc1ccc(SC#N)cc1 2329611460 MMUHSXUYHGEVAC-XMMPIXPASA-N 479.671 5.547 50 10 JKGE COC(=O)c1ccc(C(C#N)=Cc2ccc(OCc3c(Cl)cccc3Cl)c(OC)c2)o1 2331048500 PQDFTNPEEIOHKT-UHFFFAOYSA-N 458.297 6.025 50 10 JKGE N#CC(=Cc1ccccc1OCc1ccc(Cl)c(Cl)c1)c1cc2c(cc1[N+](=O)[O-])OCCO2 2331051593 OSEBTAJSUYIRNA-UHFFFAOYSA-N 483.307 6.316 50 10 JKGE C[C@@H](Oc1ccc(Cl)cc1Cl)C(O)=C(C#N)c1nc(-c2cccc(Cl)c2)cs1 2331294434 SIUYKABEMATRSY-LLVKDONJSA-N 451.762 7.030 50 10 JKGE C[C@@H](Oc1ccc(Cl)cc1)C(O)=C(C#N)c1nc(-c2ccc(Cl)c(Cl)c2)cs1 2331311742 SYBTUNGOXUNGFV-LLVKDONJSA-N 451.762 7.030 50 10 JKGE COc1cc(C(O)=C(C#N)c2nc(-c3ccc(C)cc3)cs2)c(Br)c(OC)c1OC 2331312195 RVZNNTKWLFUILH-UHFFFAOYSA-N 487.375 5.857 50 10 JKGE N#CC(=Cc1cc2c(cc1[N+](=O)[O-])OCCO2)c1nc(-c2ccc(Oc3ccccc3)cc2)cs1 2331467476 VWIRNXLUNPYBEV-UHFFFAOYSA-N 483.505 6.346 50 10 JKGE COc1ccc(-c2csc(C(C#N)=Cc3ccc(OCc4ccccc4C)cc3)n2)c(C)c1C 2331468186 IQTJPMQXLLAGHQ-UHFFFAOYSA-N 466.606 7.387 50 10 JKGE Brc1ccc(OCc2ccccc2)c([C@@H](Br)[C@@H]2OC[C@@H]3CCCC[C@@H]32)c1 2336076319 XPYWRQOLBOLGQE-FBRLZHCOSA-N 480.240 6.669 50 10 JKGE FC(F)(F)c1cscc1[C@@H](Cl)c1ccc(OCc2ccccc2)cc1Br 2336082799 DJFNKDJHOPYYRH-SFHVURJKSA-N 461.730 7.437 50 10 JKGE C[C@@H](C[C@@H](Br)c1c(Cl)cc(Br)c(F)c1Br)C(C)(C)C 2337115347 ZUYYCRRMXWCOIS-JGVFFNPUSA-N 479.453 7.512 50 10 JKGE CCC1(CC)[C@@H](Br)C[C@@H]1OCc1cc(I)ccc1Cl 2352246159 HVTVDKFOKQNQLT-KBPBESRZSA-N 457.577 5.803 50 10 JKGE Brc1ccc(OCc2ccccc2)c([C@H](Br)[C@@H]2C[C@H]3CCCCCC[C@H]32)c1 2361191792 SCVTUIWFXNRBJZ-UMCMBGNQSA-N 492.295 8.071 50 10 JKGE Fc1c(Br)cc(Cl)c([C@H](Cl)c2ccc(Cl)cc2Cl)c1Br 2362235919 AVENRUQPPITWQF-GFCCVEGCSA-N 481.801 7.639 50 10 JKGE Cc1oc(C)c([C@@H](Br)c2c(Cl)cc(Br)c(F)c2Br)c1C 2362252168 DAMFQAMESUHAML-GFCCVEGCSA-N 489.404 7.007 50 10 JKGE C[C@@H](CCBr)CCN1CC[C@@H](CCNC(=O)OC(C)(C)C)C[C@H]1C(F)(F)F 2362789423 ONFYCFFKYPWFKS-XHSDSOJGSA-N 459.391 5.355 50 10 JKGE COc1c(C)cc(Br)cc1[C@H](Cl)c1c(Br)c(Br)nn1C 2364069000 GHXZUNJJUJVIRG-JTQLQIEISA-N 487.417 5.353 50 10 JKGE COC[C@@H]1CC[C@H]([C@H](Br)c2c(C)cc(Br)c(F)c2Br)C1 2365191886 SBNIUSVSYVMSEF-NRUUGDAUSA-N 473.018 6.158 50 10 JKGE CN(C(=O)c1ccc(Cl)cc1I)[C@H]1CCCCC[C@@H]1Br 2365581444 GBAAZLQFTUNRDP-JSGCOSHPSA-N 470.576 5.113 50 10 JKGE BrCCCCCCCCCOCc1c(Br)cccc1Br 2366163860 QNPDQFBOVLRFBG-UHFFFAOYSA-N 471.071 6.854 50 10 JKGE CC(C)n1ncc(Br)c1COc1ccc(CBr)cc1Br 2368039546 LDTGHZRTZFKANB-UHFFFAOYSA-N 466.999 5.463 50 10 JKGE COc1c(F)cc([C@H](Br)c2ccc(Br)cc2Br)cc1F 2370456929 MUKAHWAPVRKGMI-ZDUSSCGKSA-N 470.933 5.983 50 10 JKGE COc1cccc(CBr)c1OCc1cc(I)ccc1Cl 2380521331 FKVOGWDBYZWALT-UHFFFAOYSA-N 467.528 5.427 50 10 JKGE N#C/C(=C\c1c[nH]nc1-c1ccc(Br)cc1)C(=O)Nc1cccc(C(F)(F)F)c1 2749219 FOAUPOBEZSLNDP-MDWZMJQESA-N 461.241 5.404 50 10 JKGE N#C/C(=C\C1=C(N2CCOCC2)/C(=C/c2ccc(Cl)cc2)CC1)C(=O)Nc1ccccc1F 3219648 WYIWEKXQKQANMX-WIDTVHIISA-N 463.940 5.331 50 10 JKGE CCc1ccc(O[C@@H](C)C(=O)NNC(=O)c2ccc(NC(=O)c3ccc(C(C)(C)C)cc3)cc2)cc1 14039920 YECOLSPDFVTCCZ-IBGZPJMESA-N 487.600 5.027 50 10 JKGE COc1ccc(/C=N/NC(=O)CCc2ccccc2)cc1COc1cc(C)c(Cl)c(C)c1 20615812 JDEYWXOTVLTTBO-LQKURTRISA-N 450.966 5.627 50 10 JKGE COc1cc(/C=C(/C#N)S(=O)(=O)c2ccc(Cl)cc2)ccc1OCc1cccc(Cl)c1 33606806 YKDYZYJHKXGLJJ-MTJSOVHGSA-N 474.365 5.919 50 10 JKGE CCc1ccc2oc(C(=O)Oc3ccc4c(c3)OC(N)=C(C#N)[C@H]4c3cccc(OC)c3)c(C)c2c1 38687329 MQUBGALRVKDARR-SANMLTNESA-N 480.520 5.750 50 10 JKGE CCOc1ccc(NC(=O)/C(C#N)=C/c2ccc(OCc3ccccc3F)c(OCC)c2)cc1 40006651 VLKYAQJRSOXFRL-RCCKNPSSSA-N 460.505 5.748 50 10 JKGE COc1cc(/C=C(/C#N)C(=O)Nc2ccccc2Cl)ccc1OCc1ccc(Cl)c(Cl)c1 59117293 HCUSUDGHYIRXGT-YVLHZVERSA-N 487.770 6.780 50 10 JKGE CCOc1cc(/C=N/NC(=O)c2ccc(OC)c(OC)c2)ccc1OCc1cccc2ccccc12 59447266 HONTUFFAJGTXFT-UXHLAJHPSA-N 484.552 5.599 50 10 JKGE CCCCCCCCOc1ccc(/C=C2/C(=O)N(Cc3ccccc3)C(=O)C(C#N)=C2C)cc1OC 101335151 XWGOHKZHFKVIMB-XIEYBQDHSA-N 486.612 6.227 50 10 JKGE Cc1cc([C@@H](Br)c2csc(I)c2)c(C)cc1Br 123467515 SYIPPRYPIWVVTK-ZDUSSCGKSA-N 486.010 6.216 50 10 JKGE Clc1ccccc1C[C@H](Br)c1cc(Br)c(Br)s1 128272271 QJTGLWXDAPXOLU-QMMMGPOBSA-N 459.428 6.605 50 10 JKGE Brc1cc([C@H](Br)c2ccc(-c3ccccc3)cc2)sc1Br 128548040 PGNZQJRSPPXSBW-MRXNPFEDSA-N 487.054 7.424 50 10 JKGE C[C@H]1CCc2[nH]c3ccc(C(=O)N/N=C\c4ccc(OC(=O)c5ccccc5)cc4)cc3c2C1 169891430 IWPJUHYUZGOPLC-PRBMPNCTSA-N 451.526 5.276 50 10 JKGE CC(C)(C)[Si](C)(C)OC[C@@H]1O[C@@H](n2cnc3c(N)ncnc32)C[C@@H]1O[Si](C)(C)C(C)(C)C 195784100 JEDIATUHRBNRLS-YESZJQIVSA-N 479.774 5.108 50 10 JKGE O=C(NCc1cccc(CBr)c1)c1ccc(Br)cc1Br 232451228 UXQVLLQCGULKHN-UHFFFAOYSA-N 461.979 5.037 50 10 JKGE CCc1ccc([C@H](Br)c2cc(I)ccc2Br)s1 234185731 VWIWBLRTNPMVSS-CYBMUJFWSA-N 486.010 6.162 50 10 JKGE COCCc1ccc([C@H](Cl)c2cc(Br)ccc2I)cc1 234703039 CQEGUGVEPKKBRC-INIZCTEOSA-N 465.556 5.571 50 10 JKGE Cc1cc(F)cc(C)c1[C@@H](Br)c1ccc(Br)cc1Br 235760624 FOYLKXPNCKXTGD-HNNXBMFYSA-N 450.971 6.452 50 10 JKGE Cc1ccc([C@@H](Br)c2cc(Br)ccc2I)cc1 235921133 QCPXNTFHKDSGMY-CQSZACIVSA-N 465.954 5.846 50 10 JKGE Cl[C@H](c1ccc2c(c1)OCCO2)c1cc(I)ccc1Br 236048455 XSCAROUZVLFBGQ-OAHLLOKOSA-N 465.512 5.153 50 10 JKGE Fc1ccc([C@H](Cl)c2cc(Cl)c(Br)s2)c(I)c1 236263652 QBPJEBANRNJPKN-JTQLQIEISA-N 465.940 6.236 50 10 JKGE Brc1ccc(Br)c([C@H](Br)[C@@H]2CC[C@H]3CCCC[C@@H]3C2)c1 250897381 QGVRRSWHUGIREG-HPTBWKMGSA-N 465.067 7.254 50 10 JKGE O=C(CSc1nnc(-c2cccnc2)n1-c1ccccc1)N/N=C(\c1ccccc1)c1cccs1 253564876 HAKGCTBLUGRXBV-RMLRFSFXSA-N 496.621 5.052 50 10 JKGE CCCCCCCCCCCCCC(=O)NN=Cc1ccc(OC(=O)c2cccc(C)c2)cc1 254632755 NHMDSEIVDRKTDL-UHFFFAOYSA-N 464.650 7.365 50 10 JKGE COc1ccc(C(=O)Oc2ccc3ccccc3c2C=NNC(=O)Cc2cccc3ccccc23)cc1 254750678 OTICMCUPBXQVJP-UHFFFAOYSA-N 488.543 5.914 50 10 JKGE Cc1ccc([C@@H](Br)c2cc3c(cc2Br)OCC3)cc1Br 308417943 QNULWWUFEMBFSD-MRXNPFEDSA-N 460.991 5.939 50 10 JKGE Cc1cc(Br)cc([C@@H](Br)c2cc3c(cc2Br)OCC3)c1 308436925 PYSCSDCICNRZTQ-MRXNPFEDSA-N 460.991 5.939 50 10 JKGE CCOc1ccc(Br)cc1[C@H](Br)c1ccccc1OCc1ccccc1 312117727 RSCAGWLSVGMGJY-JOCHJYFZSA-N 476.208 6.911 50 10 JKGE Fc1cccc(Br)c1[C@H](Cl)c1cc(I)cc2c1OCC2 379940826 BTKYGWYPOPNKFA-CQSZACIVSA-N 467.503 5.456 50 10 JKGE C[C@@H]1CCC[C@@H](COc2c(Br)cc(Br)cc2CBr)C1 388683252 FEFCGBAVJLRCAH-GHMZBOCLSA-N 455.028 6.312 50 10 JKGE C[C@@H](Cl)c1nc2cc(I)c(F)cc2n1[C@H]1[C@@H]2CN(Cc3ccccc3)C[C@@H]21 398383551 VDVNZIDMHWIXEQ-AUKZQPGHSA-N 495.767 5.383 50 10 JKGE Cn1cc(Br)c([C@@H](Br)c2cc(Br)c(Br)s2)n1 693098969 DUJFQLAWDAKYPM-ZETCQYMHSA-N 493.844 5.253 50 10 JKGE Cc1cc(Br)c([C@@H](Br)c2cnc(Cl)n2C)cc1Br 696498942 FVFXYWNURTYCAA-LLVKDONJSA-N 457.391 5.391 50 10 JKGE O=C(CC[C@H](O)c1ccccc1)NN=Cc1ccccc1OCc1ccc(Cl)c(Cl)c1 1084380233 HHEKDQBOKGAKAA-QFIPXVFZSA-N 457.357 5.536 50 10 JKGE Cc1cc(C=NNC(=O)c2ccc(CSCc3ccccc3)cc2)c(C)n1-c1ccc(F)cc1 1084476624 PRWXKIDBMJDILQ-UHFFFAOYSA-N 471.601 6.431 50 10 JKGE Cc1cc(C=NNC(=O)c2ccc(CN3CCc4ccccc4C3)cc2)c(C)n1-c1ccc(F)cc1 1084560689 WTHCPFGNTPAYIL-UHFFFAOYSA-N 480.587 5.555 50 10 JKGE O=C(CC[C@H](O)c1ccccc1)NN=Cc1ccc(OCc2ccc(F)cc2)c(Br)c1 1084577358 YKBYJLSWGDAPRL-QFIPXVFZSA-N 485.353 5.131 50 10 JKGE Cc1c(C(=O)Oc2cccc3cccnc23)oc2c1C(=NNC(=O)c1cccc(Cl)c1)CCC2 1772748865 UUSGBAAFVYBIEE-UHFFFAOYSA-N 473.916 5.479 50 10 JKGE Cc1ccc(OC(=O)c2oc3c(c2C)C(=NNC(=O)Cc2coc4c(C)c(C)ccc24)CCC3)cc1 1772752151 WAHFAHRTODYEDW-UHFFFAOYSA-N 484.552 5.878 50 10 JKGE O=C(COc1ccc(-c2ccccc2)cc1Br)NN=Cc1c(Cl)cccc1Cl 1772754359 YGJLPRXYGSCTHP-UHFFFAOYSA-N 478.173 5.952 50 10 JKGE CCCOc1cccc([C@H]2C(C#N)=C(N)Oc3c2c(CCC)nn3-c2ccc(Cl)c(Cl)c2)c1 1865694725 ZZLJMIWFFXJUHD-QFIPXVFZSA-N 483.399 6.139 50 10 JKGE Cn1nc(C(F)(F)F)c2c1OC(N)=C(C#N)[C@H]2c1ccc(OCc2ccc(Cl)cc2Cl)cc1 1865701269 RBBVUJYAWNHIHT-QGZVFWFLSA-N 495.288 5.543 50 10 JKGE C[C@@H](c1cccs1)N1CCN(c2cc(Nc3ccc(SC#N)cc3)nc(-c3ccccc3)n2)CC1 1868365738 VXXQAWIFBALLPI-FQEVSTJZSA-N 498.681 6.405 50 10 JKGE C[C@@H]1COC[C@@H](C)N1c1cc(Nc2ccc(SC#N)cc2)nc(-c2ccc(Cl)cc2)n1 1868432980 CXULTIDESZRNSY-HZPDHXFCSA-N 451.983 5.727 50 10 JKGE CCCCCCCCCOc1ccc(/C=C(\C#N)c2ccc(C(=O)OC(C)C)o2)cc1OC 1872728721 PMKQPDSPVFNEOG-OQKWZONESA-N 453.579 7.047 50 10 JKGE CCc1ccc(-c2csc(/C(C#N)=C(O)/C(=C/c3ccc(OC)cc3)c3ccccc3)n2)cc1 1872744488 UXPOEXHQBFLBJC-JGPVJNICSA-N 464.590 7.415 50 10 JKGE COc1ccc(-c2csc(/C(C#N)=C(\O)c3ccc4c(c3)C(=O)N(CC(C)C)C4=O)n2)cc1OC 1872745085 BBVGVZMFORYJLT-NMWGTECJSA-N 489.553 5.029 50 10 JKGE COc1ccc(-c2csc(/C(C#N)=C(\O)c3ccc4c(c3)C(=O)N(CC(C)C)C4=O)n2)cc1C 1872745246 ZHNDZAYOAQBWOA-ATJXCDBQSA-N 473.554 5.329 50 10 JKGE Cc1cccc(N2C(=O)c3ccc(/C(O)=C(\C#N)c4nc(C(C)(C)C)cs4)cc3C2=O)c1C 1872747452 DKRAFOGDSOHQRM-QOCHGBHMSA-N 457.555 5.808 50 10 JKGE C[C@@H](Oc1ccc(Cl)cc1Cl)/C(O)=C(\C#N)c1nc(-c2cccc3ccccc23)cs1 1872751740 DGBYFIPGOHMPNC-GYXJVLCKSA-N 467.377 7.530 50 10 JKGE Cc1ccc(C(C)(C)C)cc1-c1csc(/C(C#N)=C(\O)CCCOc2ccccc2Cl)n1 1872756237 VOIJATCXOZYYLL-ATJXCDBQSA-N 467.034 7.721 50 10 JKGE Cc1scc([C@H](Br)c2cc(Cl)c(Br)s2)c1Br 1902871328 GRMYYJUPEXTKKZ-VIFPVBQESA-N 465.457 6.781 50 10 JKGE CCN(C[C@](C)(CI)OCC[C@@]12CCC[C@@H]1C2)C(=O)OC(C)(C)C 1908614620 DUTKTBJWDIBRGA-AYOQOUSVSA-N 451.389 5.034 50 10 JKGE C[C@@H](Br)CN(Cc1ccccc1)c1ncc(C(F)(F)F)cc1I 1914654714 JPLUPLBGJKWPMV-LLVKDONJSA-N 499.112 5.495 50 10 JKGE CC(C)(CCl)N(Cc1ccccc1)S(=O)(=O)c1ccc(Br)cc1Cl 1915750640 WVTKXSWTLAGDKL-UHFFFAOYSA-N 451.213 5.311 50 10 JKGE C[C@H](c1ccncc1Br)[C@@H](Cl)c1cccc(Br)c1Br 1924066253 FKGYTOKIIBGHLU-XLKFXECMSA-N 468.414 6.453 50 10 JKGE Brc1cccnc1C[C@@H](Br)c1cccc(I)c1 1924905614 BQFKKXCVZOJAET-GFCCVEGCSA-N 466.942 5.127 50 10 JKGE Brc1cccc(CC[C@H](Br)COCc2ccccc2)c1Br 1934522469 GTQCLGDIQFMSNR-HNNXBMFYSA-N 477.034 6.125 50 10 JKGE Cc1sc(Br)cc1[C@H](Cl)c1cccc(Br)c1Br 1943902689 HPECMZFQUKFHTC-GFCCVEGCSA-N 459.428 6.672 50 10 JKGE FC(F)(F)C1CC([C@H](Br)c2sc(Br)cc2Br)C1 1948900486 CNQXLGFWRGNUBU-YXFGPURMSA-N 456.947 6.298 50 10 JKGE CC(C)(C)OC(=O)N[C@H](CBr)[C@@H]1CCC[C@@H]1[C@H]1CCCCN1C(=O)OC(C)(C)C 1975072752 RYMXWBXRAHDROO-XMTFNYHQSA-N 475.468 5.481 50 10 JKGE C[C@]1(C(F)(F)F)C[C@H]1[C@H](Br)c1cc(Br)c(Br)s1 1998660562 JCQLGBFMLMWMSR-IKTTWNKZSA-N 456.947 6.298 50 10 JKGE Clc1cc(Br)c([C@H](Br)c2c(Cl)cccc2Br)s1 2003560048 HJSLVLMUZIFGHS-SNVBAGLBSA-N 479.846 7.064 50 10 JKGE C[C@@H]1OCC[C@H]1C[C@@H](Cl)c1c(Br)sc(Br)c1Br 2019621587 CQQXGQYHSRBQOB-LYFYHCNISA-N 467.448 6.131 50 10 JKGE FC(F)(F)[C@@]1(CBr)C[C@H]1c1ccc(OCc2ccccc2)c(OCc2ccccc2)c1 2024237580 HPSAZKDWTBGSMM-XUZZJYLKSA-N 491.347 7.276 50 10 JKGE FC1(F)CN(Cc2ccccc2)CCN(c2cc(Br)ccc2CBr)C1 2032240046 KDPYLWNXKOTNDO-UHFFFAOYSA-N 474.187 5.302 50 10 JKGE CC(C)CC(CBr)(CBr)Cc1cccc(Br)c1Cl 2047995603 QVWQKEDXQABBPH-UHFFFAOYSA-N 461.463 6.467 50 10 JKGE CCc1cc(Br)c([C@H](Br)c2c(Cl)cccc2Br)s1 2050319159 VMMVFXPRCYCHCD-GFCCVEGCSA-N 473.455 6.973 50 10 JKGE C=C1C(=O)O[C@@H]2C[C@@H]3[C@]4(C)CC[C@H]([C@H](C)CCC=C(C)C=O)[C@]4(C)CC[C@]34C[C@@]4(CCC(=O)OC)[C@H]12 2053639157 FPFAZZFTBDKRJL-CFVGAFQQSA-N 496.688 6.212 50 10 JKGE Clc1c(Br)sc(Br)c1[C@H](Br)C1C[C@H]2CCC[C@@H]2C1 2063520455 OBRBSUSBAMXDEW-BRDIYROLSA-N 477.487 7.189 50 10 JKGE CC1(C)CC12CC([C@@H](Br)c1c(Br)sc(Br)c1Cl)C2 2063993618 ISOJFYMIXNTIMZ-PHATYLTASA-N 477.487 7.189 50 10 JKGE Cc1cc(Cl)c(Br)cc1[C@H](Cl)c1cnn(C)c1I 2082389670 LUOCBIFFJHKNNS-NSHDSACASA-N 459.940 5.077 50 10 JKGE C[C@H]1Cc2cc([C@@H](Br)c3ccoc3Br)cc(Br)c2O1 2090466322 DOBKGWYDAOQHNO-JVXZTZIISA-N 450.952 5.612 50 10 JKGE C[C@H]1Cc2cc([C@H](Cl)c3csc(I)c3)cc(Br)c2O1 2090470204 LROWCNPEWDIAQH-CPFSXVBKSA-N 469.569 5.767 50 10 JKGE CC(C)Cc1ccc([C@H](Br)c2cccc(Br)c2Br)s1 2092336614 ZQSXSBYLHDEPRW-OAHLLOKOSA-N 467.064 6.956 50 10 JKGE Clc1c(Br)cccc1Oc1c(CBr)ccc(Br)c1Cl 2101743557 DJIIZBTXLLPSMY-UHFFFAOYSA-N 489.816 7.206 50 10 JKGE CC1(C)C[C@H](CBr)CN(C(=O)c2cc(Br)c(Br)s2)C1 2115957519 JBYUTMHPPUFMEW-MRVPVSSYSA-N 474.056 5.156 50 10 JKGE Fc1cc(CBr)cc(OCc2cc(Br)ccc2Br)c1 2118520555 VWLYMJNQBJEYKY-UHFFFAOYSA-N 452.943 5.825 50 10 JKGE O=C(NCC[C@H]1CCCC[C@H]1Br)c1cc(Br)c(Br)s1 2123032409 RBLGIBFMLYPMRY-RKDXNWHRSA-N 474.056 5.347 50 10 JKGE C[C@@H](c1cscc1Br)N(C)c1cccc(Br)c1CBr 2130024362 KHIFFPRLARSYDW-VIFPVBQESA-N 468.052 6.365 50 10 JKGE CC[C@@]1([C@H](Br)c2c(C)c(Br)cc(C)c2Br)CC1(F)F 2136374157 JOETVZYSDAITDC-OLZOCXBDSA-N 460.982 6.700 50 10 JKGE Cc1cc(Br)c(C)c([C@H](Cl)c2cn(C)nc2Br)c1Br 2136374864 PRIHWEJESQGUGE-GFCCVEGCSA-N 471.418 5.653 50 10 JKGE FC(F)(F)[C@H]1CN(c2c(CBr)ccc(Br)c2Cl)CCS1 2154374951 BEBFPAGIKWKRSP-SECBINFHSA-N 453.549 5.482 50 10 JKGE Clc1cc(Br)cc(CC(CBr)(CBr)C2CCOCC2)c1 2166825640 VTQNQNHWSGJAAA-UHFFFAOYSA-N 489.473 5.848 50 10 JKGE O=C(c1scc(Br)c1Br)N1CCC[C@@H]2CC[C@H](Br)C[C@H]21 2167020780 JJWPMSDLWAAGBX-WCABBAIRSA-N 486.067 5.441 50 10 JKGE C[C@]1(Cn2c(CCl)nc3cc(Cl)c(Br)cc32)CCCN1Cc1ccccc1 2169010607 NAJJVSWLIPJGDC-OAQYLSRUSA-N 467.238 6.246 50 10 JKGE COc1cc(Cl)c([C@@H](Br)c2cc(Br)c(Cl)s2)cc1OC 2172570682 ZGVRVJOHQVITNJ-GFCCVEGCSA-N 461.002 6.319 50 10 JKGE C[C@H](CCC(CBr)(CBr)c1ccccc1Br)C(F)(F)F 2191533720 VXTDATGFIWICQG-SNVBAGLBSA-N 480.988 6.455 50 10 JKGE COc1cc(Cl)c([C@@H](Br)c2ccc(Br)cc2C)cc1Br 2202351799 KNKNWLYPLZITLL-HNNXBMFYSA-N 483.425 6.666 50 10 JKGE COc1cc(F)c([C@H](Br)c2cc(F)cc(Br)c2)cc1Br 2202903615 HDHNNRSAYREFHC-CQSZACIVSA-N 470.933 5.983 50 10 JKGE Brc1cc(Br)c([C@H](Br)[C@@H]2OC[C@H]3CCCC[C@H]32)s1 2218097389 FKIASHMQDJEPQN-GAJNKVMBSA-N 459.041 5.914 50 10 JKGE Cc1c(Br)sc([C@H](Br)[C@@H]2OC[C@H]3CCCC[C@@H]32)c1Br 2224935093 AJSJUZZJKRIBBV-RBLKWDMZSA-N 473.068 6.223 50 10 JKGE Cc1cccc(C)c1[C@@H](Br)c1cc(Br)c(Br)cc1F 2225615371 GWLKXPMEAWNMAJ-HNNXBMFYSA-N 450.971 6.452 50 10 JKGE CC1(C)C[C@H](C[C@@H](Br)c2cc(Br)c(Br)cc2F)CO1 2225617246 NDJGBOLUKPMIRZ-WCBMZHEXSA-N 458.991 5.992 50 10 JKGE Fc1cc(Br)cc([C@@H](Cl)c2cc(Br)c(Br)cc2F)c1 2225634078 NDPXPCHTCHMAFE-CYBMUJFWSA-N 475.352 6.581 50 10 JKGE Cc1nn(C)c(Br)c1[C@H](Br)Cc1ccc(Br)cc1Cl 2229145939 STTQLXPAHYSAPL-SNVBAGLBSA-N 471.418 5.586 50 10 JKGE Cc1cc(Br)ccc1[C@H](Br)Cc1ccc(Br)cc1Cl 2229148828 FIGPJSSLTMULME-CQSZACIVSA-N 467.426 6.852 50 10 JKGE FC(F)([C@@H](Br)c1c(Br)cc(Cl)c(Cl)c1Cl)[C@@H]1CCOC1 2232508342 DPHBAKXTQKSLKS-GCXOYZPQSA-N 473.366 6.517 50 10 JKGE COc1ccc(C)c([C@@H](Br)c2cc(Br)c(Br)cc2F)c1 2233981271 GJGYYXDKADGDOQ-OAHLLOKOSA-N 466.970 6.152 50 10 JKGE Cc1cc(Br)c([C@@H](Br)C23CC(C)(C2)O[C@@H]3C)c(C)c1Br 2235603967 DDQYDKUJVJJFSF-SFWZDCPZSA-N 467.039 6.222 50 10 JKGE Cc1cccc([C@@H](Br)c2c(Br)cc(C)c(Br)c2C)c1F 2235604641 OQPCOOXATVLGTA-OAHLLOKOSA-N 464.998 6.760 50 10 JKGE Cc1cc(Br)c([C@@H](Cl)c2ccc(F)c(Br)c2)c(C)c1Br 2235606647 WUVGXWWWEKTLKZ-HNNXBMFYSA-N 485.416 7.058 50 10 JKGE Cc1c(Cl)cc([C@@H](Cl)Cc2ccc(Br)cc2Cl)cc1Br 2237458553 QUTDNJXELOGKDH-AWEZNQCLSA-N 457.420 7.349 50 10 JKGE Cc1ccc(I)c([C@H](Br)c2cc(Cl)cc3c2OCC3)c1 2241000486 IJRUXRLNMZRYGY-HNNXBMFYSA-N 463.540 5.672 50 10 JKGE C[C@@H]1C[C@@H]1CCCCO[C@@]1(CI)CCCN(C(=O)OC(C)(C)C)C1 2248463100 LWDLRBVHMRKOOL-JTDSTZFVSA-N 451.389 5.034 50 10 JKGE COc1c([C@@H](Br)c2cc(Br)ccc2Br)csc1Cl 2256862141 IBMULPHZDOJNAA-JTQLQIEISA-N 475.427 6.419 50 10 JKGE COc1c(Cl)cc(Br)cc1[C@@H](Br)c1cocc1Br 2258118114 NLIQUFCEAVZHQV-LLVKDONJSA-N 459.359 5.951 50 10 JKGE C[C@@H](c1ccncc1Br)[C@@H](Cl)c1c(F)cccc1I 2267657242 ZYMQMDZLFXRSCH-RMLUDKJBSA-N 454.508 5.671 50 10 JKGE CCCN[C@H](c1c(F)cc(Br)c(F)c1Br)[C@@H]1C[C@@H]1Br 2272746929 DIIWCPBWCCFZFZ-HHSDFAELSA-N 461.970 5.314 50 10 JKGE C[C@]1([C@H](Br)c2c(F)cc(Br)c(F)c2Br)CCCOC1 2272747854 ORGBCRRGFLOROG-OLZOCXBDSA-N 462.954 5.743 50 10 JKGE Fc1cc(C[C@@H](Br)c2ccc(Cl)c(I)c2)ccc1Cl 2277787092 JVLAWONWIGJODT-SNVBAGLBSA-N 473.938 6.416 50 10 JKGE COc1cc(F)c(Cl)cc1[C@H](Br)c1c(F)cccc1I 2282895723 BACLMNMIIIFJQZ-AWEZNQCLSA-N 473.482 5.716 50 10 JKGE CC(C)(C)c1ccc([C@@H](Br)c2ccc(Cl)c(I)c2)cc1 2283575660 WTPGLVSORDSZNY-MRXNPFEDSA-N 463.584 6.726 50 10 JKGE C[C@@H]1O[C@@]2([C@H](Br)c3c(F)cc(Br)c(F)c3Br)CC[C@H]1C2 2288489369 SRNJCOHEVKUFAL-FMMZJVGLSA-N 474.965 5.883 50 10 JKGE COc1cc(OC)c([C@@H](Cl)c2ccc(I)cc2)cc1Br 2295425341 FUEJSQDEGPOGFU-HNNXBMFYSA-N 467.528 5.399 50 10 JKGE Cc1ccccc1N1C(=O)[C@H](Cc2ccccc2Cl)SC1=C(C#N)C(=O)Nc1ccccc1 2296507236 ZEDOXYMEMGZFED-QHCPKHFHSA-N 473.985 5.713 50 10 JKGE C[C@H](NC(=O)C(C#N)=C1NC(=NC(=O)c2ccc(Cl)cc2Cl)c2ccccc21)c1ccccc1 2296532754 XHGHOKCXDAEWRP-HNNXBMFYSA-N 489.362 5.296 50 10 JKGE CCCN1CC(=Cc2ccc(SC)cc2)C2=C(C1)[C@@H](c1ccc(SC)cc1)C(C#N)=C(N)O2 2296656749 RMDXCEMHNIWKNP-VWLOTQADSA-N 475.683 6.001 50 10 JKGE CCOc1cc(C=C(C#N)c2nn(-c3ccccc3)c(N)c2C#N)ccc1OCc1ccccc1F 2297326573 RDRZXDXDRAMCDD-UHFFFAOYSA-N 479.515 5.507 50 10 JKGE CCN(CC)CCOC(=O)c1ccc(NC=C(C#N)c2nc(-c3ccc4ccccc4c3)cs2)cc1 2297461703 ITWOAPFWNJERLM-UHFFFAOYSA-N 496.636 6.438 50 10 JKGE C[C@@H](CCCCBr)NCc1ccc(I)c(Br)c1 2306224001 LVSOBXSUZAECCU-JTQLQIEISA-N 475.006 5.097 50 10 JKGE COc1cc(C=C(C#N)C(=O)Nc2cccc(C)c2)ccc1Oc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] 2313511293 YPDRLGQEJDIXKF-UHFFFAOYSA-N 474.429 5.158 50 10 JKGE Fc1cccc([C@@H](Cl)c2ccc(OCc3ccccc3)cc2Br)c1Br 2314452156 KIIJJTWKDMYDPE-FQEVSTJZSA-N 484.590 7.258 50 10 JKGE N#CC1=C(N)Oc2cc(OC(=O)C=Cc3ccc(Cl)cc3Cl)ccc2[C@H]1c1ccc(F)cc1 2314634152 SAQOZRUPSPXNKD-XMMPIXPASA-N 481.310 5.969 50 10 JKGE COC(C)(C)C1([C@H](Br)c2sc(Br)c(C)c2Br)CC1 2320459271 XXRMNIMQWDDHOT-SNVBAGLBSA-N 461.057 6.223 50 10 JKGE Cc1ccc2nc(-c3ccc(NC=C(C#N)C(=O)NCCc4ccc(O)cc4)cc3)sc2c1 2324505004 QPKBXMBMMNLMJD-UHFFFAOYSA-N 454.555 5.156 50 10 JKGE COc1cc(C=C(C#N)c2nc3ccc(C)cc3[nH]2)ccc1OCc1c(Cl)cccc1Cl 2331018036 KIJIPPGWTRYVOK-UHFFFAOYSA-N 464.352 6.830 50 10 JKGE CC(C)[C@H](C(O)=C(C#N)c1nc(-c2cccc(Cl)c2)cs1)N1C(=O)c2ccccc2C1=O 2331293777 AXQTZDRAQLLIQD-HXUWFJFHSA-N 463.946 5.577 50 10 JKGE COc1cc(Cl)c(C)cc1-c1csc(C(C#N)=C(O)CCCOc2ccccc2Cl)n1 2331390174 PRXITNVVRWEPAE-UHFFFAOYSA-N 475.397 7.086 50 10 JKGE N#CC(=Cc1cc(Br)cc(Br)c1O)c1nc(-c2ccc(F)cc2F)cs1 2331436086 GWLQQXHKCGKPML-UHFFFAOYSA-N 498.146 6.383 50 10 JKGE Cc1cc(I)c(Oc2ccc(CBr)c(Cl)c2)cc1Cl 2336558642 LFLSVHLSJHWPIO-UHFFFAOYSA-N 471.947 6.594 50 10 JKGE CCCO[C@@H]1[C@@H](Br)C[C@@H]1OCc1cc(Br)cc(Br)c1 2337095839 APIDAJSOASHRBC-MELADBBJSA-N 457.000 5.059 50 10 JKGE C[C@]1([C@H](Br)c2c(Cl)cc(Br)c(F)c2Br)CCCCO1 2337106695 LKQFEKVWEXRMLP-CHWSQXEVSA-N 479.409 6.399 50 10 JKGE Cc1cc(Br)c(F)c(Br)c1[C@H](Br)[C@@H]1C[C@H]1C1CCC1 2339658475 IOZOPXBIIJZMQD-OPQQBVKSSA-N 455.003 6.531 50 10 JKGE Fc1cc(F)c([C@H](Br)c2ccc(Cl)cc2I)c(F)c1 2340063035 GTLUGBAEHCIQNF-CYBMUJFWSA-N 461.446 5.846 50 10 JKGE Brc1cc(CN2C[C@@H]3CC[C@H](Br)C[C@H]3C2)ccc1I 2349847802 MSUSIWAIZXSCDQ-AVGNSLFASA-N 499.028 5.049 50 10 JKGE COc1c(Br)cc(C)c([C@H](Br)CC2CCCCC2)c1Br 2365189904 ZKUJDUCKGMBYJJ-GFCCVEGCSA-N 469.055 6.935 50 10 JKGE Clc1ccc([C@@H](Br)Cc2ccc3c(c2)CCO3)c(I)c1 2365591883 NKBGBONIGZEDFX-AWEZNQCLSA-N 463.540 5.558 50 10 JKGE C[C@@H](Cl)CN(C(=O)c1ccc(Br)cc1I)C1CCCC1 2368843571 DTTAOAZDVFTDGU-SNVBAGLBSA-N 470.576 5.066 50 10 JKGE CC1CCC([C@H](CBr)NCc2ccc(I)c(Cl)c2)CC1 2379758556 BDSVRTRCRKFMMA-TZDAIYRESA-N 470.620 5.624 50 10 JKGE CC(C)(C)[C@@H]1CC[C@@H](Br)[C@H](Cc2cc(I)ccc2Cl)C1 2380522116 KTEJNLAIFRKLSG-UXIGCNINSA-N 469.632 6.713 50 10 JKGE COc1c(Br)cc(C)c([C@H](Br)[C@H]2O[C@H]3CC[C@H]2C3)c1Br 2380648515 QHUZJDYXCRREHU-COPCRZHJSA-N 469.011 5.532 50 10 JKGE CC[C@@H](C)c1ccccc1O[C@@H](C)C(=O)NNC(=O)CCCOc1ccc(Cl)cc1Cl 9872547 DHZWNECQDPXIHZ-CVEARBPZSA-N 467.393 5.281 50 10 JKGE CCc1cccc(C)c1N/C(SCc1cccc(F)c1)=C(/C#N)S(=O)(=O)c1ccccc1 20325585 YFGMPTMJCRSDJH-WJTDDFOZSA-N 466.603 6.208 50 10 JKGE COc1ccccc1/C(C#N)=C\c1ccc(OC(=O)/C=C/c2ccc(Cl)cc2Cl)cc1 31900747 NSEKTDVVQNGYAM-VOVVEXOKSA-N 450.321 6.685 50 10 JKGE CCOc1cc(C(=O)Oc2cccc(/C=C(/C#N)c3ccc(OC)cc3)c2)cc(OCC)c1OCC 31903166 MKNSICUQIWPJEN-HAHDFKILSA-N 487.552 6.175 50 10 JKGE N#C/C(=C/c1c(OCc2ccc(Cl)cc2Cl)ccc2ccccc12)C(=O)Nc1ccc(O)cc1 35202799 KGNVUJVKEXRDEN-UYRXBGFRSA-N 489.358 6.977 50 10 JKGE CCOc1ccc(-c2nn(-c3ccccc3)cc2/C=C(/C#N)C(=O)N2CCCCC2)cc1Cl 35447303 SADGRNCFYUUUSA-HKWRFOASSA-N 460.965 5.511 50 10 JKGE Cc1ccc(C2=CS/C(=C(/C#N)C(=O)N3CCN(C(=O)C4CCC4)CC3)N2c2ccc(C)cc2)cc1 37442450 GFJBZSUFRGWADB-GNVQSUKOSA-N 498.652 5.061 50 10 JKGE CCCCOc1ccccc1C(=O)Oc1ccc2c(c1)OC(N)=C(C#N)[C@@H]2c1ccc(Cl)cc1 38651423 PHQRIDBPXCWNQS-RUZDIDTESA-N 474.944 5.956 50 10 JKGE CCOc1cccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4ccccc4Br)ccc32)c1 38684847 JPEBSPAESFEJLU-HSZRJFAPSA-N 491.341 5.285 50 10 JKGE N#C/C(=C\c1ccc(-c2ccc(Br)cc2)o1)C(=O)Nc1ccc(OC(F)(F)F)cc1 39884764 RDAJDRZLTLDCSB-SDNWHVSQSA-N 477.236 6.153 50 10 JKGE CCN(c1ncnc(NNC(=O)c2cccc(Cl)c2)c1[N+](=O)[O-])c1cccc2ccccc12 40589282 CYDZXCYLQZXBSV-UHFFFAOYSA-N 462.897 5.106 50 10 JKGE CCc1ccc(NC(=O)c2oc3c(c2C)/C(=N/NC(=O)c2ccc(-c4ccccc4)cc2)CCC3)cc1 40822621 NMYJHZDPAWYAMD-MHTZHOPKSA-N 491.591 6.540 50 10 JKGE CCCCOc1ccc(NC(=O)c2oc3c(c2C)/C(=N/NC(=O)c2ccoc2C)CCC3)cc1 40823485 HLFDKGGKKFNZEM-SGWCAAJKSA-N 463.534 5.391 50 10 JKGE CCc1ccc(OCCCC(=O)N/N=C/c2c(Cl)cccc2Cl)c(Br)c1 40959307 HBTJTAGNQPCIJV-FSJBWODESA-N 458.183 5.628 50 10 JKGE COc1cc(/C=C/C(=O)Oc2ccc(/C=C\C#N)cc2OC)ccc1OCc1ccccc1C 41012786 PWCRPOPWBPCPIA-GMYGWMJXSA-N 455.510 5.747 50 10 JKGE Cc1ccc(COc2ccc(C(=O)N/N=C/c3cn(-c4ccccc4)nc3-c3ccccc3)cc2)cc1 48573132 GMVDHDVRDSCBIJ-UZWMFBFFSA-N 486.575 6.191 50 10 JKGE COc1ccc(/C(CSc2nc3ccccc3s2)=N\NC(=O)c2ccccc2Cl)cc1 59460710 ARAGUNBAPDHAEK-QOMWVZHYSA-N 468.003 5.885 50 10 JKGE O=C(NC1CCCCC1)[C@@H](c1ccc(Cl)cc1)N(C(=O)CCCl)c1ccc(Cl)cc1 97914428 WRHZTOITBGGCTP-JOCHJYFZSA-N 467.824 6.146 50 10 JKGE CCOc1cc(/C=C(/C#N)C(=O)Nc2cccc(C)c2)ccc1OCCOc1cccc(OC)c1 101419717 MKBJVSHHJRRSSQ-JWGURIENSA-N 472.541 5.406 50 10 JKGE COC(=O)c1ccc(C(=O)OC)c(N/C=C(/C#N)c2nc(-c3ccc(Cl)c(Cl)c3)cs2)c1 102420963 XLPKVWCPRDQSHD-UVTDQMKNSA-N 488.352 5.667 50 10 JKGE Clc1cc(Cl)cc([C@H](Br)c2cc(Br)ccc2Br)c1 109844700 WDMXRLRTSLNMAF-ZDUSSCGKSA-N 473.817 7.003 50 10 JKGE Clc1ccc([C@H](Br)c2cccc(I)c2)c2ccccc12 127345749 AQVNNQRSDFGJHY-QGZVFWFLSA-N 457.536 6.582 50 10 JKGE COc1ccc([C@H](Br)c2cc(Br)ccc2Br)c(OC)c1Cl 161125297 IGKFWKOPWHVDJZ-ZDUSSCGKSA-N 499.424 6.367 50 10 JKGE CC1=C(C#N)C(=O)N(CCc2ccccc2)C(=O)/C1=C\c1cn(-c2ccccc2)nc1-c1ccc(C)cc1 214345888 CYWXJZNWGSCGIR-USHMODERSA-N 498.586 5.683 50 10 JKGE Cc1cc(Br)ccc1[C@H](Br)c1cc(Br)cc2c1OCC2 228445917 YEIJOBKVXQJCKL-HNNXBMFYSA-N 460.991 5.939 50 10 JKGE CC(C)(C)c1ccc([C@@H](Br)c2ccc(Br)cc2Br)cc1 232561185 LMGPNHKKXUZHSF-MRXNPFEDSA-N 461.035 6.993 50 10 JKGE CCCCc1ccc([C@H](Br)c2ccc(Br)cc2Br)cc1 232998518 GPVTWDWKDFKLHW-KRWDZBQOSA-N 461.035 7.039 50 10 JKGE COc1ccc(Br)cc1[C@@H](Br)c1ccc(F)c(Br)c1 234842503 KAJGKHOFXGQUIG-AWEZNQCLSA-N 452.943 5.844 50 10 JKGE COc1cc(Br)c(Oc2cccc(F)c2CBr)cc1Br 234919508 QCWJDNJBJKXWKT-UHFFFAOYSA-N 468.942 6.047 50 10 JKGE Cc1cc([C@H](Br)c2ccc(Br)cc2Br)c(F)cc1F 235860744 HMYBQJIXOXIUDE-CQSZACIVSA-N 454.934 6.283 50 10 JKGE O=C(CN1c2ccccc2Sc2ccccc21)NN=Cc1cn(-c2ccccc2)nc1-c1ccco1 252606817 GVRITRIJYWHHMO-UHFFFAOYSA-N 491.576 5.885 50 10 JKGE CCn1c(SCC(=O)NN=C(C)c2ccc(-c3ccccc3)cc2)nnc1-c1ccccc1 254798039 SPOHTWJGRNEUMT-UHFFFAOYSA-N 455.587 5.265 50 10 JKGE C[C@H]1C[C@@H](O[C@@]2(CI)CCCN(C(=O)OC(C)(C)C)C2)CC[C@H]1C 303741332 KEBQBOYKKWWQDE-PASDCYSWSA-N 451.389 5.032 50 10 JKGE Clc1ccsc1[C@@H](Br)c1cc(I)cc2c1OCC2 306013156 IMDIQUJTVXTWTI-NSHDSACASA-N 455.542 5.425 50 10 JKGE Brc1cc([C@H](Br)c2cc3c(cc2Br)OCC3)cs1 308421038 WIBXMJJOZFXRCT-ZDUSSCGKSA-N 452.993 5.692 50 10 JKGE C[C@H](Cl)c1nc2cc(F)c(Br)cc2n1[C@@H]1CCN(Cc2ccccc2)[C@@H]1C 312594411 DYABSKLJNJYUQN-IQUTYRLHSA-N 450.783 6.073 50 10 JKGE FC1(F)CCCC[C@H]1[C@@H](Br)c1cc(I)cc2c1OCC2 328091756 URJSKISORUPUNZ-STQMWFEESA-N 457.096 5.488 50 10 JKGE CC(C)(C)[Si](C)(C)OCC[C@@H]1CN(CCO[Si](C)(C)C(C)(C)C)c2ccccc2N1 616681153 NGOJLJMIRACEQX-HXUWFJFHSA-N 450.816 6.721 50 10 JKGE O=C(NC1(CCCl)CCCCC1)c1cc(I)ccc1Br 687327346 LHEWCTQLMIGFRD-UHFFFAOYSA-N 470.576 5.115 50 10 JKGE COCc1cc(Br)c([C@@H](Br)c2cccc(Br)c2Cl)s1 688143298 FHGXRUAGXRKWDP-NSHDSACASA-N 489.454 6.557 50 10 JKGE Cl[C@@H](c1ccc(I)cc1)c1cc(Br)c2c(c1)CCCO2 689608790 DQJGDVXVZPVWIX-HNNXBMFYSA-N 463.540 5.707 50 10 JKGE CCn1cc([C@H](Cl)c2cc(Br)c(Br)s2)nc1Br 698497658 NONSSFDRLJFWGV-QMMMGPOBSA-N 463.420 5.580 50 10 JKGE O=[N+]([O-])c1ccc(C[C@@H](Br)c2scc(Br)c2Br)cc1 705494258 XRFRJGQLJVUGMN-SECBINFHSA-N 469.980 5.860 50 10 JKGE Brc1cc([C@H](Br)[C@@H]2CCC[C@@H]3CCCC[C@@H]32)sc1Br 714453766 AIRNAEUDPKGUPS-KZWBYHQPSA-N 471.096 7.316 50 10 JKGE Fc1cccc([C@@H](Br)Cc2ccc(Cl)c(Cl)c2)c1I 721735991 JMIPFJJKEGDEKV-JTQLQIEISA-N 473.938 6.416 50 10 JKGE C[C@@H]1CC(COc2c(Br)cc(Br)cc2CBr)C[C@@H](C)O1 724410854 LFWTVYYDGREROK-NXEZZACHSA-N 471.027 5.689 50 10 JKGE COc1cc(OC)c(/C=C(\C#N)C(=O)Nc2cccc(Cl)c2Cl)cc1Br 1084212845 ZBYDANTUMVPJEC-IZZDOVSWSA-N 456.123 5.319 50 10 JKGE Cc1cccc(NC(=O)c2oc3c(c2C)C(=NNC(=O)c2cccc4ccccc24)CCC3)n1 1772749063 WFDYLRLKHLJJEN-UHFFFAOYSA-N 452.514 5.167 50 10 JKGE COc1cc(C=NNC(=O)COc2cc(C)cc(C)c2)cc(Br)c1OCc1ccccc1 1772754064 MYCLDINUYJEEDF-UHFFFAOYSA-N 497.389 5.183 50 10 JKGE Cc1ccc([C@H]2C(C#N)=C(N)Oc3c2c(C(F)(F)F)nn3-c2ccc(Br)cc2)cc1 1865685952 OPDYDMRQQIYTLW-INIZCTEOSA-N 475.268 5.180 50 10 JKGE COc1ccc(-n2nc(-c3ccccc3)c3c2OC(N)=C(C#N)[C@@H]3c2ccccc2Cl)cc1 1865686543 XKKIHRXRNAUPBY-QFIPXVFZSA-N 454.917 5.419 50 10 JKGE CCCCOc1ccc([C@@H]2C(C#N)=C(N)Oc3c2c(CCC)nn3CC(C)C)cc1OCC 1865686928 FISSOULRPIGORQ-HSZRJFAPSA-N 452.599 5.287 50 10 JKGE CCCOc1ccc([C@@H]2C(C#N)=C(N)Oc3c2c(-c2ccc(OC)cc2)nn3Cc2ccccc2)cc1 1865694319 SXIIPQANMVQXDF-AREMUKBSSA-N 492.579 5.614 50 10 JKGE Cc1ccc(C)c(Cn2nc(-c3ccccc3)c3c2OC(N)=C(C#N)[C@H]3c2sccc2C)c1 1865698814 DBOAGNNYNMVNPA-JOCHJYFZSA-N 452.583 5.803 50 10 JKGE CCCOc1ccccc1[C@@H]1C(C#N)=C(N)Oc2c1c(-c1ccccc1)nn2-c1ccccc1Cl 1865702713 CHTSBKHKKRNBJW-XMMPIXPASA-N 482.971 6.200 50 10 JKGE COc1ccc(-c2nn(Cc3ccc(Cl)cc3)c3c2[C@H](c2ccccc2O)C(C#N)=C(N)O3)cc1 1865708628 ZQNMMCLUDHYFSC-HSZRJFAPSA-N 484.943 5.184 50 10 JKGE COc1ccc(-c2nn(Cc3ccc(C)cc3)c3c2[C@H](c2cccc(C)c2)C(C#N)=C(N)O3)cc1 1865711146 QPPBICMPHMEQAY-RUZDIDTESA-N 462.553 5.442 50 10 JKGE Cc1nc(-c2ccc(Cl)cc2Cl)ccc1C(=O)NNC(=O)c1ccc(OC(C)C)cc1 1865759484 CEGHMFGNSXOVFY-UHFFFAOYSA-N 458.345 5.226 50 10 JKGE Cc1ccc2cc3c(nc2c1)N(c1cc(Nc2ccc(SC#N)cc2)nc(C(C)(C)C)n1)CC3 1868342022 HXDZLMLZRSMLBX-UHFFFAOYSA-N 466.614 6.642 50 10 JKGE C[C@H](Oc1ccc(Cl)cc1)/C(O)=C(\C#N)c1nc(-c2ccc(Cl)c(Cl)c2)cs1 1872749487 SYBTUNGOXUNGFV-HSHIVQNRSA-N 451.762 7.030 50 10 JKGE COc1ccc(-c2csc(/C(C#N)=C(\O)c3ccccc3C(=O)c3ccccc3)n2)c(OC)c1 1872755320 IGGRIZXALNFRFZ-ROMGYVFFSA-N 468.534 6.008 50 10 JKGE COc1ccc(-c2csc(/C(C#N)=C(\O)c3cc([N+](=O)[O-])cc([N+](=O)[O-])c3C)n2)c2ccccc12 1872758583 HQVMDBMGBARRFV-NMWGTECJSA-N 488.481 6.047 50 10 JKGE CC(C)[C@H](NC(=O)OC(C)(C)C)C(=O)N/N=C/c1ccccc1OCc1ccc(Cl)c(Cl)c1 1873795170 AEAOCWOCHYZBSX-HFLRGAGPSA-N 494.419 5.572 50 10 JKGE O=C(N[C@H](CCBr)COCc1ccccc1)c1ccc(OCc2ccccc2)cc1 1902794141 GHSIQIHJODFKGN-HSZRJFAPSA-N 468.391 5.366 50 10 JKGE Clc1cc(Br)c([C@@H](Cl)c2cc(I)sn2)s1 1909866108 ZYPJQBYKSFPBJO-ZETCQYMHSA-N 454.967 5.553 50 10 JKGE C[C@H](CCCl)N(Cc1ccccc1)C(=O)c1cccc(Br)c1Br 1915077709 XPIFFSLNTSMTRT-CYBMUJFWSA-N 459.609 5.871 50 10 JKGE Clc1cc(Br)c([C@@H](Br)c2cscc2OCc2ccccc2)s1 1934831350 KEFKTTPZWRZHMV-HNNXBMFYSA-N 478.658 7.289 50 10 JKGE CCN(C[C@](C)(CI)O[C@@H]1CC[C@@H](C)C[C@@H]1C)C(=O)OC(C)(C)C 1947111269 BTRXXVHRQPFPJM-OLMMMNRUSA-N 453.405 5.278 50 10 JKGE CC1(C)CC[C@@H](Br)CN1C(=O)c1scc(Br)c1Br 2038521133 BNKCWSBMVNJKSH-SSDOTTSWSA-N 460.029 5.051 50 10 JKGE COC1CC2(C1)CC([C@H](Br)c1sc(Br)cc1Br)C2 2038910576 XDFWRLGTWGTMNC-HRQJNHKQSA-N 459.041 5.914 50 10 JKGE CCc1cc(Br)c([C@@H](Cl)c2cc(I)ccc2F)s1 2050462918 FEJNYTWESNONIV-LBPRGKRZSA-N 459.549 6.145 50 10 JKGE CC12CC([C@@H](Br)c3cc(Br)c(Br)s3)(C1)C(C)(C)O2 2058143952 QBQAQWBKKPWTPB-ALXWSUNGSA-N 459.041 6.057 50 10 JKGE Cc1cc(Br)c(C)c([C@H](Cl)c2ncsc2Br)c1Br 2081074332 RLHAZXJEPISNCD-JTQLQIEISA-N 474.443 6.376 50 10 JKGE COc1cc(F)c([C@@H](Cl)c2sccc2I)cc1Br 2082788153 NQFVBOHSEHWSFI-LLVKDONJSA-N 461.521 5.591 50 10 JKGE Cc1c(Br)ccc([C@H](Br)[C@@H](C)CC(F)(F)F)c1Br 2083318258 NUUCXFKBBFMCKQ-QUBYGPBYSA-N 452.934 6.545 50 10 JKGE BrCc1cc(Br)c(OC[C@H]2C[C@H]3CC[C@H]2O3)c(Br)c1 2111774727 SJTXUPLUTCFYFD-GIPNMCIBSA-N 454.984 5.053 50 10 JKGE COc1ccc(Br)cc1[C@@H](Br)c1cc(I)ccc1F 2113357985 MAFXXYHAIXLOFG-AWEZNQCLSA-N 499.943 5.686 50 10 JKGE BrC[C@@]12CCC[C@@H]1CN(Cc1cc(Br)ccc1Br)C2 2118527346 DPEDJKBJBNZQSF-IUODEOHRSA-N 452.028 5.209 50 10 JKGE CC(C)(C)N1C[C@H](Br)[C@H](Cc2cc(Br)ccc2Br)C1 2118529188 BYPTYMOOVVADOB-RISCZKNCSA-N 454.044 5.248 50 10 JKGE CN(C(=O)c1scc(Br)c1Br)[C@H](CCBr)C(F)(F)F 2122012547 STSXDNZYPUQJJL-ZCFIWIBFSA-N 487.961 5.061 50 10 JKGE FC(F)(F)[C@@H]1C[C@H]1COc1c(Br)cc(Br)cc1CBr 2128746729 GWUHLOZLIMBSGJ-IONNQARKSA-N 466.917 5.684 50 10 JKGE CN(c1cc(Br)ccc1CBr)[C@@H]1C[C@@H]2C[C@@H](OCc3ccccc3)C[C@@H]21 2134012926 DJZBSMUDPRPPKY-ZJDLJICXSA-N 479.256 6.164 50 10 JKGE Cc1nc([C@H](Br)c2c(Br)cc(F)c(Cl)c2F)c(Br)s1 2136967408 UDSQEYXFWDGOCA-SSDOTTSWSA-N 496.396 6.392 50 10 JKGE Brc1ccc([C@@H](Br)c2cc3c(s2)CCOC3)c(Br)c1 2138863608 MQDQVIOUFSELAL-CQSZACIVSA-N 467.020 5.830 50 10 JKGE Brc1ccc([C@H](Br)[C@@H]2CCCCC23CCC3)c(Br)c1 2138873872 ZXUTUIMKSCUMBY-ZFWWWQNUSA-N 451.040 7.008 50 10 JKGE Br[C@H](c1cccc(I)c1)c1ccc(-c2cccs2)s1 2140978159 OKHUSQADEOJJLX-OAHLLOKOSA-N 461.187 6.566 50 10 JKGE Cc1cc([C@H](Br)Cc2cccc(Cl)c2F)ccc1I 2142105057 DMNVHPFESLDMCY-GFCCVEGCSA-N 453.520 6.071 50 10 JKGE O=C(c1ccc(Br)cc1I)[C@@H](Cl)c1ccc(F)cc1 2142278670 GLIOOASVVLGUFI-ZDUSSCGKSA-N 453.476 5.356 50 10 JKGE CC[C@@](C)(Cn1c([C@H](C)Cl)nc2cc(I)ccc21)N(C)Cc1ccccc1 2155091028 FLNKNPXKJJOIKQ-AOMKIAJQSA-N 495.836 6.241 50 10 JKGE CC(C)(C)OC(=O)NCC[C@H](N(C[C@@H](CBr)C1CCC1)C1CC1)C(F)(F)F 2163065375 ZPXOWGLZLJMJIN-ZBFHGGJFSA-N 457.375 5.108 50 10 JKGE BrC[C@@]12CCC[C@@H]1N(Cc1ccc(Br)cc1Br)CCC2 2165238487 GVTUVDNCJJSVSG-HOTGVXAUSA-N 466.055 5.741 50 10 JKGE C[C@@H](Cl)c1nc2cc(Cl)c(Br)cc2n1C1CCN(Cc2ccccc2)CC1 2168998544 HFKQNLBBJXXISJ-CQSZACIVSA-N 467.238 6.589 50 10 JKGE CC(F)(F)C1([C@H](Br)c2cc(I)cc3c2OCC3)CCC1 2190223998 VXGBFJJPJYLNLQ-CYBMUJFWSA-N 457.096 5.488 50 10 JKGE CCCCCc1ccc([C@H](Br)c2cc(Cl)ccc2I)s1 2197259733 ZTQZPBYGZZMSRP-MRXNPFEDSA-N 483.640 7.223 50 10 JKGE Cc1cc(Br)c(C)c([C@@H](Br)[C@H]2C(F)(F)C23CCC3)c1Br 2201067374 KMCQEBPTMQZGDN-CHWSQXEVSA-N 472.993 6.700 50 10 JKGE Cc1c(Br)ccc([C@H](Br)[C@@]23CCCC[C@@H]2CCC3)c1Br 2203690549 DXMPSUNMYHHPEJ-OAUYIBNBSA-N 465.067 7.317 50 10 JKGE COc1cc(Br)c([C@H](Br)c2ccc(Br)s2)cc1C 2220439710 VKPHFBXKCQNABJ-ZDUSSCGKSA-N 455.009 6.074 50 10 JKGE Cc1ccc(I)c([C@@H](Br)Cc2ccc(Br)cc2)c1 2224032593 UPIRLNLXCYXJSG-AWEZNQCLSA-N 479.981 6.041 50 10 JKGE CCC1CC(C[C@H](Br)c2c(Br)cc(C)c(Br)c2C)C1 2227359280 GSBFDBBXHPRMGX-YIZWMMSDSA-N 453.056 7.091 50 10 JKGE Clc1ccc(Cl)c([C@@H](Br)c2c(Br)cc(Cl)c(Cl)c2Cl)c1 2232515230 ZDIFZJVZPQNPSL-LLVKDONJSA-N 498.256 8.200 50 10 JKGE COc1cc(C)c([C@H](Cl)c2ccc(C)c(I)c2)cc1Br 2232837127 PFAFTZCNZAWALL-MRXNPFEDSA-N 465.556 6.007 50 10 JKGE C[C@@H]1CN(Cc2ccccc2)C[C@H]1n1c(CCCl)nc2c(F)cc(Br)cc21 2232920549 QCUHBBOBLUOCML-AUUYWEPGSA-N 450.783 5.412 50 10 JKGE Fc1cc(Br)c(Br)cc1[C@@H](Cl)Cc1ccc(Cl)c(Cl)c1 2233968867 FFJPTWLLZKMBTA-LBPRGKRZSA-N 461.383 7.180 50 10 JKGE Cc1cc(Br)c([C@@H](Br)c2c(F)ccc(Cl)c2F)cc1Br 2234941590 LMKAROCUWHNLPY-CYBMUJFWSA-N 489.379 6.936 50 10 JKGE Fc1ccc(Br)c([C@H](Br)c2c(F)cc(F)c(Br)c2F)c1 2236105652 ADMLSCILFUHIDG-NSHDSACASA-N 476.887 6.252 50 10 JKGE Cc1cc(Br)c(CN(C)c2c(CCl)ccc(Br)c2Cl)s1 2237721261 UQIBDFKTIFGLHC-UHFFFAOYSA-N 458.046 6.610 50 10 JKGE Brc1cc([C@@H](Br)C[C@H]2CCCCC23CC3)sc1Br 2253869189 IXMGSWYYVRVYMP-ZJUUUORDSA-N 457.069 7.070 50 10 JKGE Cl[C@@H](c1c(Br)sc(Br)c1Br)[C@H]1COC2(CCC2)C1 2257224850 SWRRXOPSDJBGBG-HZGVNTEJSA-N 479.459 6.275 50 10 JKGE Cc1cc(Br)c([C@H](Br)c2c(C)nsc2Br)c(C)c1F 2264468628 LQABFYLNZLYGGM-NSHDSACASA-N 472.015 6.217 50 10 JKGE COc1c([C@H](Cl)c2csc(I)c2)cc(Br)c(C)c1C 2269161188 BWOQCHVRBLBHDK-CYBMUJFWSA-N 471.585 6.069 50 10 JKGE C[C@H]1Cc2cc([C@H](Br)c3cocc3Br)cc(Br)c2O1 2270465570 RGSDAHRSCIVUJG-CPFSXVBKSA-N 450.952 5.612 50 10 JKGE C[C@H](Br)CN(CC(C)(C)C)C(=O)c1scc(Br)c1Br 2272459909 LTLRLMMZQWIWIJ-QMMMGPOBSA-N 476.072 5.545 50 10 JKGE C[C@]1(C(F)(F)F)C[C@@H]1[C@H](Br)Cc1cc(Br)cc(Br)c1 2277966144 QNFQCRUQPNPBHU-UTUOFQBUSA-N 464.945 6.106 50 10 JKGE CC[C@H](C(F)(F)F)C(CBr)(CBr)c1ccccc1Br 2278445400 IHGOJGMUJCWRAT-NSHDSACASA-N 466.961 6.065 50 10 JKGE Fc1cc(Br)c(F)c(Br)c1[C@H](Br)C1CC2(CCOC2)C1 2288376891 REJXYRNSDMALSM-MIJJTYSQSA-N 474.965 5.743 50 10 JKGE COc1ccc([C@@H](Br)Cc2cc(Br)cc(Br)c2)cc1Cl 2295274962 PUOMEEVEKQDHRZ-ZDUSSCGKSA-N 483.425 6.552 50 10 JKGE COC1CC2(C1)CC([C@H](Br)Cc1cc(Br)cc(Br)c1)C2 2295330673 YOAGQDVGPKWYQQ-HGQARUDJSA-N 467.039 5.723 50 10 JKGE COc1c(Br)cc([C@H](Br)c2ccsc2Br)c(OC)c1C 2295431015 RLQDUTHHINIPSI-LLVKDONJSA-N 485.035 6.083 50 10 JKGE N#CC(C1=N[C@H](c2ccccc2)[C@H](c2ccccc2)O1)=C1N[C@H](c2ccccc2)[C@H](c2ccccc2)O1 2296602452 MMDOSCUBNVZLAW-XAZDILKDSA-N 483.571 6.735 50 10 JKGE CC(C)CC1([C@H](Br)c2cc(Br)ccc2OCc2ccccc2)CC1 2299491962 BCSYOCWPODHGJY-HXUWFJFHSA-N 452.230 7.290 50 10 JKGE Cc1c(Br)sc([C@H](Br)[C@H]2OC[C@@H]3CCC[C@H]23)c1Br 2312254969 ZNVDUOLCVBARTK-HLFFCZDVSA-N 459.041 5.833 50 10 JKGE N#CC(=Cc1cn(Cc2ccc(Cl)c(Cl)c2)c2ccccc12)C(=O)Nc1ccc(Cl)cc1 2313631127 LBVBTDCXBMSINI-UHFFFAOYSA-N 480.782 7.195 50 10 JKGE COc1cccc(C=C(C#N)C(=O)Nc2cccc(Cl)c2)c1OCc1cccc(Cl)c1 2313631177 LSXXWKCMTRQAEW-UHFFFAOYSA-N 453.325 6.127 50 10 JKGE Cc1cccc(NC(=O)C(C#N)=C2S[C@@H](Cc3ccc(F)cc3)C(=O)N2c2ccc(C(C)C)cc2)c1 2314591684 BFTCJPQSYUPMEQ-SANMLTNESA-N 499.611 6.323 50 10 JKGE Cc1ccc(N2C(=O)[C@H](Cc3ccc(Cl)cc3)SC2=C(C#N)C(=O)Nc2ccccc2)cc1C 2314592486 VJMLWRPBYKHPFH-DEOSSOPVSA-N 488.012 6.022 50 10 JKGE CNC(=O)C(C#N)=C1S[C@H](Cc2cc(C(F)(F)F)ccc2Cl)C(=O)N1c1ccc(C)c(C)c1 2314593602 PVZTUVHDAAOWOD-LJQANCHMSA-N 493.938 5.148 50 10 JKGE Fc1c(Br)cc(Cl)c([C@H](Br)[C@@H]2[C@@H]3CCO[C@@H]32)c1Br 2315448100 WJXZWEOLTZBCPK-NCFHRBORSA-N 463.366 5.475 50 10 JKGE Brc1cc(Br)c([C@@H](Br)[C@H]2C[C@@H]3CCCCCC[C@@H]32)s1 2329821843 NVTPGBABSJCNHU-RMIALFOJSA-N 471.096 7.316 50 10 JKGE C[C@H](Oc1ccc(Cl)cc1Br)C(O)=C(C#N)c1nc(-c2ccccc2Cl)cs1 2331266781 HODVRPNYVGKTIC-NSHDSACASA-N 496.213 7.140 50 10 JKGE CCCOc1ccc(-c2csc(C(C#N)=C(O)C=Cc3ccc(Cl)cc3)n2)cc1OCCC 2331293280 ROAXPTMISQRDNI-UHFFFAOYSA-N 481.017 7.547 50 10 JKGE CCOc1ccc(OCC)c(-c2csc(C(C#N)=C(O)c3cc(Cl)ccc3Cl)n2)c1 2331376722 MGXGPNLFPWVARB-UHFFFAOYSA-N 461.370 6.864 50 10 JKGE CC(C)([C@H](Br)c1c(F)cc(Cl)c(Br)c1Cl)S(C)(=O)=O 2335292683 ZOTSXUQVYSPRKI-SNVBAGLBSA-N 456.986 5.154 50 10 JKGE COc1c(Br)cc(C)c([C@H](Br)[C@H]2CC[C@@H](C)C2)c1Br 2339640025 TYORZFMTKINWOG-DFAYQTQMSA-N 455.028 6.401 50 10 JKGE CCC[C@@H](C(C)C)[C@H](Br)c1c(C)cc(Br)c(F)c1Br 2339653108 GDDOBBUMMXKQFT-GWCFXTLKSA-N 459.035 7.167 50 10 JKGE Cc1cc(Br)c(F)c(Br)c1[C@H](Br)[C@H]1[C@H]2CCCC[C@H]21 2339686884 PDBJQITUZXQWGQ-FQPOAREZSA-N 455.003 6.531 50 10 JKGE CN(CC[C@H](Cl)c1cccs1)c1ncc(I)cc1Br 2340619854 SOFZTKIQJTUZTD-NSHDSACASA-N 471.589 5.317 50 10 JKGE Brc1cocc1[C@@H](Br)c1cc2c(cc1Br)OCCC2 2343589814 ZYNNSRWVKGVWOA-AWEZNQCLSA-N 450.952 5.614 50 10 JKGE C[C@@]1(C(F)(F)F)C[C@@]1(CCl)Cc1ccc(I)c(Br)c1 2349863860 CAWMCQNTIVTUGZ-VXGBXAGGSA-N 467.494 5.794 50 10 JKGE CC12CC([C@H](Br)c3cc(Br)ccc3OCc3ccccc3)(C1)C1(CCC1)O2 2361199737 CMFFIKLGWPRJNZ-ITAUSPCMSA-N 492.251 6.956 50 10 JKGE Cc1nc(Br)c([C@H](Cl)c2scc(C(F)(F)F)c2Br)n1C 2362439431 CYGROXOUGPJJJT-ZETCQYMHSA-N 452.521 5.662 50 10 JKGE Cc1cc(Br)c(F)c(Br)c1[C@H](Cl)c1cc(F)ccc1Br 2365188544 MHZDUBYNBYUQJB-CYBMUJFWSA-N 489.379 6.889 50 10 JKGE COc1c(Br)cc(C)c([C@H](Br)C[C@@H](C)C(F)(F)F)c1Br 2365188891 PIBLRMAZEFFSJM-HTQZYQBOSA-N 482.960 6.553 50 10 JKGE CC[C@](C)(C(F)F)[C@H](Br)c1c(C)cc(Br)c(OC)c1Br 2365219780 SAAZERWYHSSASI-OCCSQVGLSA-N 478.997 6.646 50 10 JKGE COc1c(Br)cc(C)c([C@H](Br)[C@@H]2CCOC[C@@H]2C)c1Br 2365234332 XVBCHIITGZNREG-OPQQBVKSSA-N 471.027 5.637 50 10 JKGE Oc1nc2ccc([C@H](Br)c3ccc(Cl)cc3I)cc2o1 2365592487 NSQRALDYWQJUJF-ZDUSSCGKSA-N 464.484 5.276 50 10 JKGE CC(C)(C)[C@@H]1CC[C@H]1CO[C@@H](CI)c1cccc(Br)c1 2369181732 FZSBTXRPJPWCID-IMJJTQAJSA-N 451.186 6.014 50 10 JKGE O=C(NNc1ccccc1)/C(=C\c1c2ccccc2cc2ccccc12)NC(=O)c1ccccc1 2227877 XDIRSMJDIBQTSH-VFCFBJKWSA-N 457.533 5.907 50 10 JKGE CC(C)c1ccccc1OCC(=O)NNC(=O)COc1ccc(C(C)(C)C)cc1C(C)(C)C 14661609 WRJUEBINKDTQCC-UHFFFAOYSA-N 454.611 5.010 50 10 JKGE C[C@@H](Oc1ccc(Cl)cc1Cl)C(=O)Oc1cccc(/C=C(/C#N)c2cccc(Cl)c2)c1 31902512 MLIVTUCRSRNLOC-YQYFLZKSSA-N 472.755 7.084 50 10 JKGE CCN(CC)c1ccc(/C=C(/C#N)c2nc3ccccc3[nH]2)c(OCc2ccc(Cl)cc2)c1 33399417 GXXORQFWZNYHII-QNGOZBTKSA-N 456.977 6.706 50 10 JKGE Cc1ccc(NC(=O)/C(C#N)=C2/S[C@@H](Cc3ccccc3Cl)C(=O)N2c2ccc(C)cc2)cc1 33579290 YDOHTUCUIYEGRE-ABPPERTMSA-N 488.012 6.022 50 10 JKGE Cc1cccc(NC(=O)/C(C#N)=C2/S[C@H](Cc3ccc(Cl)cc3)C(=O)N2c2ccccc2)c1 33931675 CXCWGYVGQFOCMZ-QPQMVVSWSA-N 473.985 5.713 50 10 JKGE C[C@H](Oc1ccc(F)cc1)C(=O)Oc1ccc2c(c1)OC(N)=C(C#N)[C@H]2c1cccc(Cl)c1 38651211 IJUDPHDHHCEQPS-PSLXWICFSA-N 464.880 5.070 50 10 JKGE N#CC1=C(N)Oc2cc(OC(=O)c3ccccc3Br)ccc2[C@H]1c1c(F)cccc1Cl 38680186 BPEVOKZCIVYRHQ-HXUWFJFHSA-N 499.723 5.679 50 10 JKGE Cc1c(C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@H]3c2cccc(Cl)c2)oc2ccccc12 38687691 YUGBZGLJZGKASM-QHCPKHFHSA-N 456.885 5.832 50 10 JKGE Cc1ccc(NC(=O)/C(C#N)=C\c2c(Oc3ccc(C(C)(C)C)cc3)nc3ccccn3c2=O)cc1C 39858517 RIXWXZYQAKYKSH-FXBPSFAMSA-N 492.579 5.947 50 10 JKGE COc1cc(/C=C(/C#N)c2ccccc2)c(Br)cc1OCc1ccc(Cl)cc1 96454035 KPEYDEWFGNHARV-ODLFYWEKSA-N 454.751 6.754 50 10 JKGE Brc1cccc(Br)c1O[C@@H]1C[C@@H](Br)C12CCCCC2 97638436 CVUBJVOFWHELCK-CHWSQXEVSA-N 453.012 6.077 50 10 JKGE CCOCCCN1C(=O)C(C#N)=C(C)/C(=C\c2cn(-c3ccccc3)nc2-c2ccc(C)c(F)c2)C1=O 101335970 FLDAAOXRXGORLW-BUVRLJJBSA-N 498.558 5.006 50 10 JKGE CC1=C(C#N)C(=O)N(Cc2ccc3c(c2)OCO3)C(=O)/C1=C/c1ccc(-c2ccc(Cl)cc2)o1 101339752 ONHSPXGYAZAQBH-RGVLZGJSSA-N 472.884 5.121 50 10 JKGE Cc1cc(C)cc(OCCOc2ccc(Br)cc2/C=C(/C#N)C(=O)Nc2ccccc2)c1 101424307 LVUVABXWYHAXSG-QNGOZBTKSA-N 491.385 6.069 50 10 JKGE COc1ccc(/C=C2\CCC[C@@H]3C2=NN(C(=O)/C(C#N)=C\c2ccco2)[C@@H]3c2ccc(OC)cc2)cc1 103201024 DHWUBFOYUAUVOK-UTJFMGKNSA-N 493.563 6.027 50 10 JKGE COc1cc(/C=C(/C#N)C(=O)NCc2ccccc2)ccc1OC(=O)/C(C#N)=C\c1ccc(Cl)cc1 103762273 ROKBJSYQKCNHMS-BWENGSMDSA-N 497.938 5.085 50 10 JKGE CC(C)c1ccc([C@@H](Br)c2cc(Br)sc2Br)cc1 109869962 YSTROUPLQKRGJG-CYBMUJFWSA-N 453.037 6.881 50 10 JKGE FC(F)(F)c1cc([C@@H](Br)c2ccc(Cl)cc2Cl)ccc1Br 124618434 FMFSISPDBBHXLS-CYBMUJFWSA-N 462.918 7.259 50 10 JKGE CCCOc1ccc([C@@H](Cl)c2cc(Br)ccc2Br)cc1Br 161124540 NOVAXZAVOIOJLZ-MRXNPFEDSA-N 497.452 7.091 50 10 JKGE Fc1ccc(C(CBr)(CBr)Cc2cncc(Br)c2)cc1 169003792 QWYCQQRRQRSQAY-UHFFFAOYSA-N 465.986 5.254 50 10 JKGE CCOc1cc(Cl)c([C@@H](Br)c2cccc(Br)c2Cl)cc1Cl 228454398 FNVGBSZOAIISGJ-AWEZNQCLSA-N 473.419 7.292 50 10 JKGE C[C@@H]1CCCC[C@@H]1NC(=O)[C@H](c1ccc(Cl)cc1)N(Cc1ccc2c(c1)OCO2)C(=O)CCl 230274863 MCFMXVKIDOYGIC-NKNQFRNOSA-N 491.415 5.072 50 10 JKGE COc1ccc([C@@H](Br)c2cc(Cl)ccc2I)c(Cl)c1 234974195 UBVRITYSJOAZFA-CQSZACIVSA-N 471.947 6.091 50 10 JKGE Fc1cc(F)c([C@@H](Br)c2ccc(Br)cc2Br)c(F)c1 236226732 REMAVSXZFIPDHX-ZDUSSCGKSA-N 458.897 6.113 50 10 JKGE Brc1cc([C@H](Br)[C@@H]2CC[C@H]3CCCC[C@H]3C2)sc1Br 250749965 OAKXXJMZZRXGFP-FBKDDSFISA-N 471.096 7.316 50 10 JKGE COc1ccc(C=NNC(=O)c2cc(-c3ccc(Cl)cc3)nc3ccccc23)c(OC)c1C 252609346 HSARUPFCMBLXSG-UHFFFAOYSA-N 459.933 5.645 50 10 JKGE 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 254396115 KANYZLRHIUEPFK-PWDWBAIISA-N 472.710 7.268 50 10 JKGE CCOc1ccc(C(C)=NNC(=O)c2cc(-c3ccc(OCc4ccccc4)cc3)n[nH]2)cc1 254606904 GEXKOLZTPBCNBK-UHFFFAOYSA-N 454.530 5.208 50 10 JKGE COc1cccc(C=NNC(=O)CN2CCn3c4c(c5cc(C6CCCCC6)ccc53)CCC[C@H]42)c1 254698895 INNGXZYDWCJGSZ-MUUNZHRXSA-N 484.644 5.541 50 10 JKGE CCCCCCCCCC(=O)NN=Cc1cn(-c2ccccc2)nc1-c1ccc(OCCC)cc1 254850551 BYFSMBOYXRDHPJ-UHFFFAOYSA-N 474.649 6.919 50 10 JKGE COc1ncccc1COc1c(Br)cc(Br)cc1CBr 312803242 QQFVBCZXOTUVIL-UHFFFAOYSA-N 465.967 5.089 50 10 JKGE C[C@H]1COc2ccc([C@H](Br)c3sccc3I)cc2OC1 380586336 WTGDFCXTQFDKAV-XPTSAGLGSA-N 465.150 5.244 50 10 JKGE Cc1cc(Br)cc(CBr)c1OCc1ccsc1Br 388880230 HVRYIVBUGORRHP-UHFFFAOYSA-N 455.009 6.055 50 10 JKGE C[C@@H]1CN(Cc2ccccc2)C[C@@H]1n1c(CCCl)nc2cc(I)ccc21 389775123 CCMVUCHNHVUGCQ-QRWLVFNGSA-N 479.793 5.115 50 10 JKGE C[C@H](Cl)c1nc2cc(Br)c(F)cc2n1[C@@H]1C[C@@H](C)N(Cc2ccccc2)C1 398212248 PVXFDAZBRRULNC-IJEWVQPXSA-N 450.783 6.073 50 10 JKGE BrCc1ccc(Br)cc1OCCOc1ccc(Br)cc1 691449964 NBHRYLCPFZELSF-UHFFFAOYSA-N 464.979 5.564 50 10 JKGE Cl[C@H](c1ccsc1Br)c1cc(Br)sc1Br 698674070 XUJZQOMYKAICIY-SSDOTTSWSA-N 451.430 6.425 50 10 JKGE O=C1Cc2cc([C@@H](Cl)c3scc(Br)c3Br)c(Cl)cc2N1 705446921 CXNQQSIIQQZRET-GFCCVEGCSA-N 455.986 5.749 50 10 JKGE C[C@]12CC[C@@H]3[C@H](CC=C4C[C@H](OC(=O)/C=C/c5ccccc5)CC[C@@]43C)[C@H]1CCC2=NNC(N)=O 1084483331 NMEUWUBEWUDIDC-ABPGYBDWSA-N 475.633 5.599 50 10 JKGE Cc1c(C(=O)Nc2ccccc2Cl)oc2c1C(=NNC(=O)c1ccc3ccccc3n1)CCC2 1772750885 BHLMRQYPNFNQQC-UHFFFAOYSA-N 472.932 5.512 50 10 JKGE Cc1cccc(NC(=O)[C@@H](C)Oc2cccnc2NC(=O)Nc2ccc(SC#N)cc2)c1C 1858840471 LYOTXPAOWOBGLN-QGZVFWFLSA-N 461.547 5.322 50 10 JKGE N#CC1=C(N)Oc2c(c(C(F)(F)F)nn2Cc2ccc(Cl)c(Cl)c2)[C@@H]1c1ccccc1 1865680556 OFMGZXMEPREOEY-MRXNPFEDSA-N 465.262 5.475 50 10 JKGE CCCc1nn(-c2cccc3ccccc23)c2c1[C@H](c1c(OC)ccc3ccccc13)C(C#N)=C(N)O2 1865688573 VJQCVSGEIPGYRA-NDEPHWFRSA-N 486.575 6.358 50 10 JKGE N#CC1=C(N)Oc2c(c(C(F)(F)F)nn2-c2cccc3ccccc23)[C@H]1c1cc(Cl)ccc1O 1865688762 ACKAYXOMXOTDDQ-IBGZPJMESA-N 482.849 5.621 50 10 JKGE CCc1nn(CC(C)C)c2c1[C@H](c1ccc(OCc3ccc(C)cc3)c(OC)c1)C(C#N)=C(N)O2 1865695568 QACXCRFCSQLNAL-RUZDIDTESA-N 472.589 5.216 50 10 JKGE COc1cc([C@H]2C(C#N)=C(N)Oc3c2c(C(F)(F)F)nn3Cc2ccc(C)cc2)ccc1OC(C)C 1865696671 ITMPDJZVBYIKPO-NRFANRHFSA-N 498.505 5.273 50 10 JKGE C[C@H](CC(=O)N[C@@H](Cc1ccccc1)C(=O)Nc1ccc(SC#N)cc1)c1ccc(Cl)cc1 1866715896 PKJVESOCKORJPS-KOSHJBKYSA-N 478.017 5.773 50 10 JKGE N#CSc1ccc(Nc2cc(N3CCC(CN4CCOCC4)CC3)nc(-c3ccccc3)n2)cc1 1868365130 LPXVBHBQXLNJDQ-UHFFFAOYSA-N 486.645 5.009 50 10 JKGE O=C1/C(=C/c2cc(Cl)cc3c2OCOC3)Oc2cc(OCc3ccc(CCl)cc3)ccc21 1871438006 KEURJSJYKBSBMF-AQHIEDMUSA-N 469.320 6.141 50 10 JKGE CCCCCCCOc1ccc(-c2csc(/C(C#N)=C(\O)[C@H]3CC(=O)N(C(C)C)C3)n2)cc1 1872753083 HBBKKGCBHYYUGF-RCBZZLCRSA-N 467.635 6.209 50 10 JKGE COc1c(C)cc(C)cc1-c1csc(/C(C#N)=C(\O)CCCOc2ccccc2Cl)n1 1872754958 RGTHQLDUIOROTG-UZYVYHOESA-N 454.979 6.741 50 10 JKGE Cc1ccc(C(C)(C)C)cc1-c1csc(/C(C#N)=C(O)/C=C/c2ccc(C(C)(C)C)cc2)n1 1872755787 FTZDGJXCNPPMME-RZNGCSAPSA-N 456.655 8.220 50 10 JKGE COc1ccc(/C=C/C(O)=C(\C#N)c2nc(-c3ccc(OC)c(Cl)c3)cs2)c(OC)c1 1872757862 ZLPFKPTZUDPMOF-UQIPZTAISA-N 454.935 5.995 50 10 JKGE CCCOc1ccc(C/C(O)=C(\C#N)c2nc(-c3ccc(OC)c4ccccc34)cs2)cc1 1872758742 OKJNGJMYYMOHSX-BZZOAKBMSA-N 456.567 6.796 50 10 JKGE CCOc1cc(/C=C(\C#N)c2nc(-c3cccc([N+](=O)[O-])c3)cs2)ccc1OCc1ccccc1 1872782676 OHEYXJMDKRYCFS-LPYMAVHISA-N 483.549 6.760 50 10 JKGE COc1cccc(/C=C(\C#N)c2nc(-c3ccc(F)cc3F)cs2)c1OCc1cccc(C)c1 1872784492 PERWZCXYILSMRC-UDWIEESQSA-N 474.532 7.049 50 10 JKGE COc1cc(-c2csc(/C(C#N)=C/c3ccc(Cl)c([N+](=O)[O-])c3)n2)c(OC)cc1Cl 1872793553 GDNDSDLZBQYTLV-LFYBBSHMSA-N 462.314 6.106 50 10 JKGE CCCOc1ccc(-c2csc(/C(C#N)=C(O)/C=C/c3ccc(F)cc3)n2)cc1OCCC 1872817917 DALARBYAUFKTID-DBOIZRAYSA-N 464.562 7.033 50 10 JKGE CC(C)C[C@H](/C(O)=C(\C#N)c1nc(-c2ccc(F)cc2F)cs1)N1C(=O)c2ccccc2C1=O 1872817959 FNBNTSFGUVYKNW-QUPCICMCSA-N 479.508 5.592 50 10 JKGE COc1cc([C@@H](Cl)c2sc(Br)c(C)c2Br)ccc1Br 1876919118 OTMPJEWSPPKSAJ-LLVKDONJSA-N 489.454 6.681 50 10 JKGE Cc1nsc(Br)c1[C@@H](Br)c1cc(Br)c(Cl)s1 1912970953 IVMHIBAFTQFBNN-ZETCQYMHSA-N 466.445 6.176 50 10 JKGE ClC[C@H](C1CC1)N(Cc1ccccc1)Cc1cc(Cl)ccc1I 1915206755 AFOWDPWCLMLWAQ-LJQANCHMSA-N 460.186 5.964 50 10 JKGE Clc1c(Br)sc(Br)c1[C@H](Br)[C@@H]1C[C@H]1c1ccccc1 1923065539 DPELMOBGZWKTFV-IQJOONFLSA-N 485.466 7.166 50 10 JKGE Brc1sc(Br)c([C@H](Br)CCC2CC2)c1Br 1924605781 WZHXNRQDUAMEKQ-ZCFIWIBFSA-N 481.873 6.662 50 10 JKGE Cl[C@H](c1c(Br)sc(Br)c1Br)[C@H]1C[C@@H]2CC[C@H]1O2 1924615266 YMAVQCGEGDNFNE-CRBZEHORSA-N 465.432 5.883 50 10 JKGE Cl[C@H](C[C@@H]1CCCOCC1)c1c(Br)sc(Br)c1Br 1924616116 LHHRRYAQCBUZAH-HTQZYQBOSA-N 481.475 6.522 50 10 JKGE FC(F)(F)c1cccc([C@H](Br)c2c(Cl)sc(Br)c2Cl)c1 1925598964 LMHRDHZWINRZOP-QMMMGPOBSA-N 468.947 7.321 50 10 JKGE CN(C[C@@H](Br)COCc1ccccc1)C(=O)c1cscc1OCc1ccccc1 1934835538 FXVGKLGVFMCIMN-HXUWFJFHSA-N 474.420 5.379 50 10 JKGE CC(=O)[C@@H](Br)[C@H](C)c1cc(Br)c(Br)c(Br)c1 1938597078 WIHNXUKXQDSEOX-FWOIEVBISA-N 477.816 5.430 50 10 JKGE Clc1cc([C@H](Br)c2cscc2OCc2ccccc2)c(Cl)c(Cl)c1Cl 2038689220 VPPZJBIPTPELMX-HNNXBMFYSA-N 497.068 8.425 50 10 JKGE O=C(c1cc(Br)cc(C(F)(F)F)c1)N(CCCBr)Cc1ccccc1 2052304024 PCYROYRPMHILNF-UHFFFAOYSA-N 479.134 5.895 50 10 JKGE COC(=O)CC[C@@H](C)[C@@H]1CC[C@H]2[C@@H]3C(=O)C[C@H]4C[C@@H](O[Si](C)(C)C)CC[C@]4(C)[C@H]3CC[C@]12C 2054325762 FYICTKZKCGJHMG-DJAKVUOLSA-N 476.774 6.634 50 10 JKGE Cc1nn(C)c([C@H](Cl)c2c(Cl)sc(Br)c2Cl)c1Br 2072302809 OYJCRNCCVKYHFU-ZCFIWIBFSA-N 453.414 5.950 50 10 JKGE COc1cc(Cl)c([C@H](Cl)c2sccc2I)cc1Br 2082383871 BPIVCENXCSDBFR-NSHDSACASA-N 477.976 6.105 50 10 JKGE Cc1cc([C@@H](Br)c2c(Br)cccc2Br)cc(C)c1F 2094090391 GVYPGAVNMUFJLN-CQSZACIVSA-N 450.971 6.452 50 10 JKGE Fc1ccc(C[C@@H](Br)c2c(Br)cccc2Br)c(F)c1 2094100934 XSTXWXASXCNPDL-GFCCVEGCSA-N 454.934 6.169 50 10 JKGE FC(F)c1cccc([C@@H](Br)c2c(Cl)sc(Br)c2Cl)c1 2115949695 VXQARGLLFHJNLE-MRVPVSSYSA-N 450.957 7.239 50 10 JKGE CO[C@@H]1CC[C@@H]([C@@H](Br)c2c(C)c(Br)cc(C)c2Br)C1 2136377574 QCTXTBHYNMNUDX-UEKVPHQBSA-N 455.028 6.080 50 10 JKGE Cc1cc(Br)c(C)c([C@H](Br)C23CC(CCO2)C3)c1Br 2136382875 VGIDLXJLRNDSOH-CUMGRINNSA-N 453.012 5.834 50 10 JKGE Cc1cc(Br)c(C)c([C@H](Br)[C@@H]2CCC[C@H](C)C2)c1Br 2136383230 FLMUXXDMQLYOKF-PXTQAZKISA-N 453.056 7.091 50 10 JKGE O=C(NCc1cc(Br)ccc1Br)c1ccc(CBr)cc1 2144383959 WMPZWWSMTQOREN-UHFFFAOYSA-N 461.979 5.037 50 10 JKGE C[C@H]1Cc2cc([C@H](Br)c3ccc(OCc4ccccc4)cc3)cc(Br)c2O1 2146629223 WSGUXSZTSXFCKE-OYHNWAKOSA-N 488.219 6.836 50 10 JKGE CC1(C)CCC[C@]1(CBr)NC(=O)c1cc(Br)cc(Br)c1 2150545677 ORJMLPNWZFITRG-OAHLLOKOSA-N 468.027 5.285 50 10 JKGE CC1(C)COc2c([C@H](Cl)c3cscc3OCc3ccccc3)cc(Br)cc21 2156306679 QIYHIESFAQSFNB-FQEVSTJZSA-N 463.824 7.088 50 10 JKGE COCc1cc(Br)c([C@H](Br)c2ccsc2C(F)(F)F)s1 2157624363 JHXXXIQEDOKCPR-SECBINFHSA-N 450.139 6.222 50 10 JKGE Clc1c(Br)sc(Br)c1[C@H](Cl)[C@H]1CC2(CCCCC2)CO1 2166261271 OLLREXNFAWXMAB-PSASIEDQSA-N 463.062 6.946 50 10 JKGE CN(Cc1ccc(Br)cc1)c1cc(Br)cc(F)c1CBr 2170699791 UQHADXZJDDSYRU-UHFFFAOYSA-N 465.986 5.882 50 10 JKGE CN(C(=O)c1cc(Br)ccc1Br)C1CCC(CBr)CC1 2171111000 JDMRTNNGOSMJMJ-UHFFFAOYSA-N 468.027 5.237 50 10 JKGE CN(C(=O)c1ccc(I)c(Cl)c1)[C@@H]1CCCCC[C@H]1Br 2172548587 VKXNUDBVMVRAEB-BXUZGUMPSA-N 470.576 5.113 50 10 JKGE Cc1cc(Br)c([C@H](Br)c2scc3c2CCCC3)cc1Br 2187123709 IRNCERSPACTYSZ-HNNXBMFYSA-N 479.075 6.945 50 10 JKGE COc1cc(C)c([C@H](Br)c2c(Br)sc(C)c2C)cc1Br 2198730766 PJNCIDOGNKCXGA-AWEZNQCLSA-N 483.063 6.691 50 10 JKGE Cc1c(Br)ccc([C@H](Br)c2cscc2C(F)(F)F)c1Br 2203690504 DMQSLEKRZNLPER-LBPRGKRZSA-N 492.980 7.085 50 10 JKGE CCOCc1cc(Br)c([C@@H](Br)c2cscc2Br)s1 2217986990 DIGNMSZFPGXCBK-NSHDSACASA-N 475.065 6.355 50 10 JKGE Cc1ccc(I)c([C@H](Cl)c2c(C)sc(Br)c2C)c1 2224055840 SLOJWILQPYJKSW-ZDUSSCGKSA-N 455.586 6.369 50 10 JKGE Fc1cc2c(cc1Br)nc(CCl)n2C[C@H]1CC1(Br)Br 2224806601 QPIFFKBPMMXBRK-ZCFIWIBFSA-N 475.381 5.183 50 10 JKGE Cc1c(Br)sc([C@@H](Br)[C@@H]2C[C@H]3CCC[C@H](C3)C2)c1Br 2225322889 YBKGJOLQPMZDOI-WGBDABJCSA-N 471.096 7.234 50 10 JKGE COC1(C[C@@H](Br)c2c(Br)cc(C)c(Br)c2C)CCC1 2227346931 GLFAYGJXXAYLOU-GFCCVEGCSA-N 455.028 6.224 50 10 JKGE COc1cc(Br)c([C@H](Br)c2cc(C)c(Br)o2)cc1C 2227734479 MIQYJNYFBBRNAR-ZDUSSCGKSA-N 452.968 5.914 50 10 JKGE O=C(c1scc(Br)c1Br)N1CC[C@@H]2[C@@H](Br)CCC[C@H]2C1 2233744789 CNBMLAKTWMQOLQ-GUBZILKMSA-N 486.067 5.299 50 10 JKGE Cc1cc(Br)c([C@@H](Cl)c2cccc(Cl)c2Cl)c(C)c1Br 2235601800 BCQXPZIMMHGFIB-HNNXBMFYSA-N 457.420 7.463 50 10 JKGE Fc1cc(F)c([C@H](Cl)c2cc(Br)cc(Br)c2)c(F)c1Br 2236102036 GJDIFFUKXLILCJ-GFCCVEGCSA-N 493.342 6.720 50 10 JKGE Cc1c(Br)sc(C[C@@H](Br)c2ccc(Br)cc2)c1C 2254661509 VNRUFVCUOCPCRZ-GFCCVEGCSA-N 453.037 6.569 50 10 JKGE Fc1cccc(I)c1[C@@H](Br)c1cc(Cl)ccc1Cl 2255906900 OMLUMBDLTLNMFV-ZDUSSCGKSA-N 459.911 6.221 50 10 JKGE CCc1cc([C@H](Br)c2cc(F)cc(Br)c2)sc1Br 2255987922 FYAMXAAJTLOZLQ-GFCCVEGCSA-N 457.000 6.459 50 10 JKGE Clc1ccc([C@H](Br)c2ccc(Cl)c(I)c2)cc1Cl 2256337636 VOKLXFDQMJYGKG-ZDUSSCGKSA-N 476.366 6.736 50 10 JKGE Fc1cc(Cl)c([C@@H](Cl)c2cc(Cl)c(Br)s2)cc1Br 2258103325 FTMMTSRTHYIJBS-SNVBAGLBSA-N 453.385 7.047 50 10 JKGE Cc1cc2c(nc([C@@H](C)Cl)n2CCCN(Cc2ccccc2)Cc2ccccc2)c(C)c1F 2264462580 FJIMKALYBBYWPN-JOCHJYFZSA-N 464.028 7.185 50 10 JKGE CN(Cc1ccc(I)cc1)c1ccc(Br)cc1CCl 2265604287 KTLNXRXBICBKSK-UHFFFAOYSA-N 450.545 5.429 50 10 JKGE Cc1ccc([C@H](Br)c2cccc(Cl)c2Br)c(C)c1Br 2267986108 QGWZTSFTHAGOIT-AWEZNQCLSA-N 467.426 6.966 50 10 JKGE Fc1cc(Br)c(Br)cc1[C@@H](Br)[C@@H]1COC2(CCC2)C1 2269383237 SELKEDOBOJNWHO-SDBXPKJASA-N 456.975 5.746 50 10 JKGE COc1cc(OC)c([C@@H](Br)c2cocc2Br)cc1Br 2278018680 ZZFFACDUMSBVAG-CYBMUJFWSA-N 454.940 5.306 50 10 JKGE Oc1nc2ccc([C@H](Br)c3ccc(Cl)c(I)c3)cc2[nH]1 2283587641 WZIDZXCEFGSHRC-CYBMUJFWSA-N 463.500 5.011 50 10 JKGE CC[C@H]1CC[C@H]([C@H](Br)c2c(F)cc(Br)c(F)c2Br)CC1 2288492047 APKRCWRPXYFOQX-RVBZMBCESA-N 475.009 7.142 50 10 JKGE CCOc1cc(C=C(C#N)c2nc3ccccc3[nH]2)ccc1OCc1ccc(Cl)c(Cl)c1 2293771909 QPRMLHQHAMGNRM-UHFFFAOYSA-N 464.352 6.912 50 10 JKGE COc1ccc2nc(C(C#N)=Cc3cc(Cl)c(OCc4ccccc4F)c(OC)c3)[nH]c2c1 2294284731 OHHSGSCUPBWHJI-UHFFFAOYSA-N 463.896 6.016 50 10 JKGE N#CC(=Cc1cnn(-c2cccc(C(F)(F)F)c2)c1)C(=O)Nc1cc(C(F)(F)F)ccc1Cl 2296592912 GKYJPTMLZULRRT-UHFFFAOYSA-N 484.787 6.109 50 10 JKGE N#CC(=Cc1ccc(-c2cccc(C(F)(F)F)c2)o1)C(=O)Nc1nc(-c2cccs2)cs1 2297399309 CUFGFUXRJFHMHM-UHFFFAOYSA-N 471.485 6.696 50 10 JKGE 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 2297504636 KUJXAJMABXMSCW-ZYYNSJHNSA-N 460.775 7.170 50 10 JKGE C[S@@](=O)(=NC=C(C#N)C(=O)c1cccs1)c1ccc(OC(=O)c2ccc(Cl)cc2)cc1 2297564385 JOYIXMCEYUBVPS-HKBQPEDESA-N 470.959 5.368 50 10 JKGE CO[C@@H]1C[C@]2([C@H](Br)c3ccc(OCc4ccccc4)cc3Br)C[C@H]12 2299488493 HEOCAWTVDROYIB-VBSBHUPXSA-N 452.186 5.889 50 10 JKGE CS(=O)(=O)C1([C@@H](Br)c2cc(Br)ccc2OCc2ccccc2)CC1 2299506760 CARJKWGIJOMNLR-KRWDZBQOSA-N 474.214 5.041 50 10 JKGE Brc1cc(OCc2ccccc2)ccc1[C@H](Br)C1[C@@H]2CCCC[C@@H]12 2299530919 QOPFTGKMUCIZTE-LZJOCLMNSA-N 450.214 6.900 50 10 JKGE Cc1cc([C@@H](Cl)c2c(Br)c(Br)nn2C)sc1Br 2301119332 PRZGZNSFUYLJKX-SSDOTTSWSA-N 463.420 5.406 50 10 JKGE Cl[C@@H](c1c(Br)sc(Br)c1Br)[C@@H]1CC[C@@H]2C[C@H]1CO2 2312742194 MNWPGIUECVYAKZ-MPXCPUAZSA-N 479.459 6.131 50 10 JKGE N#CC(=Cc1cc(Br)ccc1OCc1cccc(Cl)c1)C(=O)Nc1ccc(F)cc1 2313630326 GBXCPBAGBFMPNX-UHFFFAOYSA-N 485.740 6.366 50 10 JKGE COc1ccc(CNC(=O)C(C#N)=Cc2cn(Cc3ccc(Cl)cc3)c3ccccc23)cc1 2313670544 DXVZTYCESHGRGD-UHFFFAOYSA-N 455.945 5.575 50 10 JKGE N#CC(=Cc1ccc(OCc2ccc(Cl)c(Cl)c2)cc1)C(=O)Nc1cccc2ccccc12 2313724545 GRNQEFGZEMZZTC-UHFFFAOYSA-N 473.359 7.271 50 10 JKGE CCc1ccc(C[C@@H]2SC(=C(C#N)C(=O)NCc3ccccc3)N(c3ccc(OC)cc3)C2=O)cc1 2314593394 MHYGUEMQTHTFOH-SANMLTNESA-N 497.620 5.000 50 10 JKGE CCCCCCOc1ccc(C=C(C#N)C(=O)Nc2cccc(Br)c2)cc1OC 2314729052 SNUDZEZKIRPDTK-UHFFFAOYSA-N 457.368 5.962 50 10 JKGE COCc1ccc([C@H](Br)c2ccc(Br)cc2Br)s1 2315098244 SFAJJRFKNGJKJG-CYBMUJFWSA-N 455.009 5.904 50 10 JKGE CC(C)(C)OC(=O)N1CCC[C@@](CI)(OCCCCCC(F)(F)F)C1 2315804207 RAJMOBDBGARZMO-INIZCTEOSA-N 479.321 5.330 50 10 JKGE Cc1cc(Br)c(F)c(Br)c1[C@H](Br)[C@@H]1[C@@H](C)C1(F)F 2317400469 NJQLRPWXWPAFSH-YRZRMSQOSA-N 450.918 5.996 50 10 JKGE Clc1ccc(CO[C@H]2CCCCC[C@H]2I)c(I)c1 2317808795 DDJVRWVLIRWJPL-OCCSQVGLSA-N 490.550 5.598 50 10 JKGE COc1ccc(C=C(C(=O)NNC(=O)c2ccc(-c3ccc(Cl)cc3)nc2C)c2ccccc2)cc1 2321061273 KTEDWSQRVRZCQG-UHFFFAOYSA-N 497.982 5.721 50 10 JKGE CCCCc1ccc(-c2csc(C(C#N)=C(O)COc3cc(Cl)ccc3Cl)n2)cc1 2331255910 JEBDBSRLZLYPOY-UHFFFAOYSA-N 459.398 7.331 50 10 JKGE N#CC(=C(O)C=Cc1ccc(OCc2ccccc2)cc1)c1nc(-c2ccc([N+](=O)[O-])cc2)cs1 2331281628 XAKSBYBTNOFJNR-UHFFFAOYSA-N 481.533 6.803 50 10 JKGE COc1ccc(C=C(C(O)=C(C#N)c2nc(-c3ccc(C)cc3)cs2)c2ccccc2)cc1 2331312357 LNCZHUVCBIMFLU-UHFFFAOYSA-N 450.563 7.161 50 10 JKGE CCCOc1ccc(-c2csc(C(C#N)=C(O)COc3cc(Cl)ccc3Cl)n2)cc1 2331318252 NRQOPMPPOGSHHU-UHFFFAOYSA-N 461.370 6.777 50 10 JKGE CC[C@H](C)[C@@H](C(O)=C(C#N)c1nc(-c2ccc(F)c(C)c2)cs1)N1C(=O)c2ccccc2C1=O 2331322500 FLHIKQVVQDFZRW-FPTDNZKUSA-N 475.545 5.761 50 10 JKGE CC(C)N1C(=O)c2ccc(C(O)=C(C#N)c3nc(-c4ccc(C(C)(C)C)cc4)cs3)cc2C1=O 2331331555 NYGRZZDPLFWEQX-UHFFFAOYSA-N 471.582 6.062 50 10 JKGE CCOc1ccc(C=CC(O)=C(C#N)c2nc(-c3ccc(OC)cc3OC)cs2)cc1OC 2331385697 XJPSQDUPRLLHMB-UHFFFAOYSA-N 464.543 5.741 50 10 JKGE CCc1ccc(OCCCC(O)=C(C#N)c2nc(-c3ccc(OC)c4ccccc34)cs2)cc1 2331406520 VTTJQJNDMJFXRN-UHFFFAOYSA-N 470.594 7.186 50 10 JKGE CC[C@]1([C@@H](Br)c2c(Cl)cc(Br)c(F)c2Br)CCCO1 2337089743 DAUUZTXXOIZPRD-QWHCGFSZSA-N 479.409 6.399 50 10 JKGE CS(=O)(=O)C1([C@H](Br)c2c(Cl)cc(Br)c(F)c2Br)CC1 2337098139 PFPBFQGRZFHMQH-SNVBAGLBSA-N 499.421 5.017 50 10 JKGE CCCc1sc(Br)cc1[C@H](Br)c1ccc(F)c(Br)c1 2338022202 UVUFMJKBCSCVSD-CQSZACIVSA-N 471.027 6.849 50 10 JKGE COc1ccnc(Oc2cc(Br)cc(Br)c2)c1CBr 2338757022 FUBKSHOJGYZUHG-UHFFFAOYSA-N 451.940 5.302 50 10 JKGE CCc1ccc([C@H](Br)c2c(C)cc(Br)c(F)c2Br)s1 2339676567 WUVMKJBFPKHYPY-LBPRGKRZSA-N 471.027 6.767 50 10 JKGE Cc1cc(Br)c(F)c(Br)c1[C@@H](Cl)c1ccc(Br)cc1 2339681795 LYJOVODJYTVRPN-ZDUSSCGKSA-N 471.389 6.750 50 10 JKGE COc1c(Br)cc(C)c([C@@H](Br)c2sccc2F)c1Br 2339689642 DZTJFRFXYOHGGT-LLVKDONJSA-N 472.999 6.214 50 10 JKGE O=C(Nc1ccc(CBr)cc1)c1ccc(Cl)cc1I 2340054734 AYWUOKRPXAGCDJ-UHFFFAOYSA-N 450.501 5.092 50 10 JKGE COc1ccc([C@@H](Cl)c2ccc(Cl)cc2I)cc1Br 2340063935 NABGOJRFPREMHC-CQSZACIVSA-N 471.947 6.044 50 10 JKGE Clc1ccc(CN2[C@H]3CC[C@@H]2C[C@H](CBr)C3)c(I)c1 2341024377 GSBHFUCDRSBMCM-ZOZIMZAQSA-N 454.577 5.083 50 10 JKGE COCc1ccc([C@@H](Br)c2ccc(Br)c(C)c2Br)s1 2342062718 AYYGCIORRFNRDC-AWEZNQCLSA-N 469.036 6.212 50 10 JKGE C[C@@H](Cl)C12CCC(CC1)N2Cc1ccc(I)c(Br)c1 2349839730 AEEQUIBEKIYPBT-CKQAKLJMSA-N 454.577 5.178 50 10 JKGE Cc1cccc(C[C@H](Br)c2c(Cl)cc(Br)c(F)c2Br)c1 2362221641 DGVWDJXLIKVMHY-JTQLQIEISA-N 485.416 6.991 50 10 JKGE CSc1ccccc1[C@@H](Br)c1c(C)cc(Br)c(F)c1Br 2365184805 GHGIYXWBWBWDCG-CYBMUJFWSA-N 483.038 6.865 50 10 JKGE CC(C)(C)Oc1ccc([C@@H](Br)c2cocc2Br)cc1Br 2381302802 HNQJUHROKUURAY-CQSZACIVSA-N 466.995 6.466 50 10 JKGE N#C/C(=C/c1ccc(-c2ccc(Br)cc2)o1)C(=O)Nc1cc([N+](=O)[O-])ccc1F 867523 WFPOUNXAEHMVDT-LCYFTJDESA-N 456.227 5.302 50 10 JKGE CC(C)CC(=O)Nc1ccc(C(=O)NN=C(/C=C/c2ccccc2)/C=C/c2ccccc2)cc1 12493882 UYAUSFYKPULYDR-HBKJEHTGSA-N 451.570 6.184 50 10 JKGE CC(C)CCOc1ccc(Br)cc1C(=O)NNC(=O)Cc1cccc2ccccc12 14650768 LQXZAMOFIZCMPW-UHFFFAOYSA-N 469.379 5.031 50 10 JKGE CSc1cccc(N/C(SCc2ccc(F)cc2)=C(/C#N)S(=O)(=O)c2ccccc2)c1 20325539 LPALNBLNTOOHOI-GHVJWSGMSA-N 470.616 6.059 50 10 JKGE CCCOc1ccccc1C(=O)Oc1ccc2c(c1)OC(N)=C(C#N)[C@H]2c1ccc(Cl)c(Cl)c1 38656083 KVDQCYAFVDRSEL-DEOSSOPVSA-N 495.362 6.220 50 10 JKGE C=CCOc1ccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)Cc4ccc(Cl)cc4)ccc32)cc1 38658271 MZBJDXMABVKLQM-SANMLTNESA-N 472.928 5.271 50 10 JKGE Cc1ccc(NC(=O)/C(C#N)=C\c2c(Oc3ccc(F)cc3)nc3c(C)cccn3c2=O)cc1C 39858712 ZTKYMQBUWCCTLG-RGEXLXHISA-N 468.488 5.097 50 10 JKGE Cc1cccnc1NC(=O)c1oc2c(c1C)/C(=N/NC(=O)c1ccc(-c3ccccc3)cc1)CCC2 40822571 MARRTQXCEATFKG-AWSUPERCSA-N 478.552 5.681 50 10 JKGE Cc1ccc2cccc(OC(=O)c3oc4c(c3C)/C(=N/NC(=O)c3cccs3)CCC4)c2n1 40823749 ANOJIIWOOFDHHW-WPWMEQJKSA-N 459.527 5.196 50 10 JKGE COc1cc(/C=N/NC(=O)COc2cc(Cl)ccc2Cl)ccc1OCCc1ccccc1 40911665 UQJJHMLOWCWXOL-JFLMPSFJSA-N 473.356 5.153 50 10 JKGE CCOc1cc(/C=C(\C#N)C(=O)Nc2cccc([N+](=O)[O-])c2)ccc1OCc1ccc(C)cc1 59254469 GIDFLSROADNOGA-FYJGNVAPSA-N 457.486 5.427 50 10 JKGE O=C(Cc1cccc2ccccc12)N/N=C/c1ccc(SCC(=O)Nc2ccc3ccccc3c2)o1 59382303 JDFOPMUOIRKMFU-UXHLAJHPSA-N 493.588 6.010 50 10 JKGE CCCCCCOc1ccc(OCCOc2ccccc2/C=C(/C#N)C(=O)Nc2ccccc2)cc1 96501383 SUTADVCJYKSTBM-LVWGJNHUSA-N 484.596 6.649 50 10 JKGE CCS/C(NC(=O)c1ccccc1)=C(/C#N)[C@@H](CC(=O)c1ccccc1)c1ccccc1Cl 100250922 HQCYGORNQDHOBW-PCRNYRQLSA-N 475.013 6.615 50 10 JKGE CCc1ccc(N2C(=O)[C@@H](Cc3ccc(F)cc3)S/C2=C(/C#N)C(=O)Nc2ccc(C)cc2)cc1 101245922 ZWCJCOXUBQNSJA-IEQIIXMPSA-N 485.584 5.762 50 10 JKGE CC1=C(C#N)C(=O)N(C(C)C)C(=O)/C1=C/c1cn(-c2ccccc2)nc1-c1ccc2ccccc2c1 101333741 MJDJIZXNJFILGS-WGOQTCKBSA-N 472.548 5.693 50 10 JKGE CC[C@@H](C)N1C(=O)C(C#N)=C(C)/C(=C\c2cn(-c3ccccc3)nc2-c2ccc(Cl)cc2)C1=O 101334153 QPEJXXBKOCYIFT-DMGPTTAYSA-N 470.960 5.583 50 10 JKGE CCOC(=O)c1c(N/C=C(\C#N)c2nc(-c3cccc(Br)c3)cs2)sc(C)c1C 102924702 IFAOQDWUONZPNW-XNTDXEJSSA-N 488.432 6.404 50 10 JKGE CCOc1ccc([C@H](Br)c2ccccc2I)cc1OCC 109852329 MFVRRLJQYVHTKA-KRWDZBQOSA-N 461.137 5.573 50 10 JKGE O=c1[nH]c2cc(Br)c([C@@H](Br)c3cccc(F)c3Br)cc2[nH]1 156116598 YHLVYYCNSLDXSI-LBPRGKRZSA-N 478.941 5.005 50 10 JKGE C[C@@H]1C[C@@H](O[C@@H](CI)c2ccc(Br)cc2)CC(C)(C)C1 162135536 DHPJIRPIRAXZMB-WQVCFCJDSA-N 451.186 6.157 50 10 JKGE CCCCCCCCCC[C@@H](O)CN(C[C@H](O)CCCCCCCCCC)C(=O)CCl 205786598 YMEJFFNSYLSUJP-JWQCQUIFSA-N 462.159 6.837 50 10 JKGE Cc1c(Cl)cccc1NC(=O)/C(C#N)=C\N1CCN(C(c2ccccc2)c2ccccc2)CC1 217086274 OUFCLDLHENRPAU-GFMRDNFCSA-N 471.004 5.402 50 10 JKGE N#C/C(=C\c1ccc([N+](=O)[O-])cc1)C(=O)N1N=C2/C(=C/c3ccccc3)CCC[C@@H]2[C@@H]1c1ccccc1 229263433 MYIRVKFXDUJNEP-CXRMITBFSA-N 488.547 6.325 50 10 JKGE Cc1cc([C@H](Br)c2cc(Cl)ccc2I)c(F)cc1F 235859071 HPGAYLNVBZBNQQ-AWEZNQCLSA-N 457.483 6.016 50 10 JKGE Clc1cnccc1C[C@H](Br)c1ccc(Br)cc1Br 236036640 PLLWPTMOIMFFIQ-NSHDSACASA-N 454.387 5.939 50 10 JKGE CCCCCCCCCC(=O)NN=Cc1ccc(OC(=O)c2ccc(OC)cc2)c(OCC)c1 254521784 NSVMWCZOXGVPQP-UHFFFAOYSA-N 468.594 5.904 50 10 JKGE N#Cc1ccccc1COc1c(Br)cc(Br)cc1CBr 312770234 LPCHJXMSYZRZRE-UHFFFAOYSA-N 459.963 5.557 50 10 JKGE Cc1cc([C@@H](Br)c2scc(C(F)(F)F)c2Br)ccc1Br 380162565 WLIYKODRGVBJGD-SNVBAGLBSA-N 492.980 7.085 50 10 JKGE Cc1ccc2nc(CCl)n(-c3ccc(I)c(Br)c3)c2c1 383577677 GRIWETODPYWKSB-UHFFFAOYSA-N 461.528 5.440 50 10 JKGE CC(C)(C)OC(=O)N1C[C@@H](CI)[C@@H](c2c(Cl)cccc2Cl)C1 394769841 FHLMJGJONCMOTK-MNOVXSKESA-N 456.151 5.379 50 10 JKGE Cc1cc(C(=O)[C@H](C)Cl)c(C)n1CC1(N(Cc2ccccc2)Cc2ccccc2)COC1 705620907 YCZRPAXBVHQSKR-NRFANRHFSA-N 451.010 5.386 50 10 JKGE Cc1cc(C)c([C@H](Br)c2scc(Br)c2Br)c(C)c1 707819162 LRCXGVGILAAYOZ-ZDUSSCGKSA-N 453.037 6.683 50 10 JKGE CC1(C)[C@H](OCc2ccccc2)C[C@H]1n1c(CCl)nc2cc(F)c(Br)cc21 718081775 VBFBTQHWZXPHPF-RTBURBONSA-N 451.767 6.233 50 10 JKGE Cc1sc(C)c([C@H](Br)c2scc(Br)c2Br)c1C 722482726 DINSYMDVGVKBGU-NSHDSACASA-N 459.066 6.744 50 10 JKGE COc1cc(/C=C(\C#N)C(=O)N2CCN(c3ccccc3)CC2)cc(Cl)c1OCc1ccccc1 1084109829 CXJYIAYXLMHQFI-XQNSMLJCSA-N 487.987 5.183 50 10 JKGE Cc1ccccc1SCC(=O)NN=C1C(=O)N(Cc2cccc3ccccc23)c2ccccc21 1084190364 HQMLHSMUOYBIQX-UHFFFAOYSA-N 465.578 5.308 50 10 JKGE Cc1cc(C=NNC(=O)c2ccc(CSc3ccc(Cl)cc3)cc2)c(C)n1-c1ccccc1F 1084439332 DVLFSKXSKFLQSI-UHFFFAOYSA-N 492.019 6.943 50 10 JKGE COc1ccc(C(=O)NN=Cc2cccc(OCc3ccc(Cl)cc3Cl)c2)cc1OC 1084462813 SYBZZWXQBLEEGI-UHFFFAOYSA-N 459.329 5.354 50 10 JKGE CCOc1cc(/C=C(\C#N)C(=O)Nc2cccc(Cl)c2Cl)cc(Cl)c1OCC(=O)OC 1084512629 GGJHZFFQNYXWKO-NTUHNPAUSA-N 483.735 5.143 50 10 JKGE 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 1565534848 KUJXAJMABXMSCW-ALQGHIBDSA-N 460.775 7.170 50 10 JKGE N#CSc1ccc(NC(=O)Oc2cccc3c(NC(=O)c4ccc(F)c(F)c4)cccc23)cc1 1858776339 YLGULEOLDGNUJV-UHFFFAOYSA-N 475.476 6.554 50 10 JKGE COc1ccc(-c2nn(-c3ccc(Cl)cc3)c3c2[C@H](c2ccccc2)C(C#N)=C(N)O3)cc1 1865680776 VSOBSJFQZVMWGV-JOCHJYFZSA-N 454.917 5.419 50 10 JKGE CCOc1cc([C@H]2C(C#N)=C(N)Oc3c2c(-c2ccccc2)nn3-c2ccc(C)cc2)ccc1O 1865681556 QKAYWIGBFSCYKN-DEOSSOPVSA-N 464.525 5.170 50 10 JKGE CCc1nn(Cc2ccc(Cl)cc2)c2c1[C@H](c1c(Cl)cccc1Cl)C(C#N)=C(N)O2 1865686590 XLBAHRODDZYSSJ-SFHVURJKSA-N 459.764 5.672 50 10 JKGE CCCOc1ccc([C@H]2C(C#N)=C(N)Oc3c2c(-c2ccc(OC)cc2)nn3CC(C)C)cc1 1865692847 GATVOXXCEZVWJN-QHCPKHFHSA-N 458.562 5.222 50 10 JKGE CCOc1c(OC)cccc1[C@H]1C(C#N)=C(N)Oc2c1c(C(F)(F)F)nn2-c1ccc(Cl)cc1 1865693389 NUURTMKGJUHVIB-KRWDZBQOSA-N 490.869 5.170 50 10 JKGE CCCOc1cccc([C@@H]2C(C#N)=C(N)Oc3c2c(-c2ccccc2)nn3Cc2ccccc2F)c1 1865694632 YBLHNQMHEZIIEA-RUZDIDTESA-N 480.543 5.744 50 10 JKGE Cc1nn(-c2cccc3ccccc23)c2c1[C@@H](c1ccc(OC(=O)c3ccccc3)cc1)C(C#N)=C(N)O2 1865705419 VLAWZBYNSXGDMQ-NDEPHWFRSA-N 498.542 5.771 50 10 JKGE COc1cc(/C=C(\C#N)c2nc(O)c3ccccc3n2)ccc1OC(=O)c1ccc(Cl)cc1Cl 1872726721 AYARELQCJPZLMP-XNTDXEJSSA-N 492.318 5.934 50 10 JKGE CCOc1cc(/C=C(\C#N)c2ccccc2[N+](=O)[O-])ccc1OCc1ccc(Br)cc1 1872729318 CGOXAIFXMFYSKG-CPNJWEJPSA-N 479.330 6.399 50 10 JKGE CCCOc1ccc(-c2csc(/C(C#N)=C(\O)[C@H]3CC(=O)N([C@H](C)c4ccccc4)C3)n2)cc1 1872749265 IWTQISBZRQEETD-ZGXAXRNMSA-N 473.598 6.001 50 10 JKGE N#C/C(=C(/O)c1ccc2c(c1)C(=O)N(c1ccc(F)cc1)C2=O)c1nc(-c2cccs2)cs1 1872750936 VHZCQRCTORBVBO-UZYVYHOESA-N 473.510 5.761 50 10 JKGE C[C@@H](c1ccccc1)N1C[C@H](/C(O)=C(\C#N)c2nc(-c3c[nH]c4ccccc34)cs2)CC1=O 1872753491 ZOWRUBBFRXIPGP-AETZFVNZSA-N 454.555 5.694 50 10 JKGE COc1cc(C)c(-c2csc(/C(C#N)=C(\O)[C@H](C)Oc3ccc(C(C)C)cc3)n2)cc1C(C)C 1872753645 HPBZZKHLJNYWAI-ADKFBQBXSA-N 476.642 7.634 50 10 JKGE COc1c(Cl)cc(Cl)cc1-c1csc(/C(C#N)=C(\O)Cc2ccc(Br)cc2)n1 1872754344 ODSLWTCWBLKAAC-SDXDJHTJSA-N 496.213 6.923 50 10 JKGE CC[C@H](C)N1C(=O)c2ccc(/C(O)=C(\C#N)c3nc(-c4cc(Cl)ccc4Cl)cs3)cc2C1=O 1872757916 CBIDLVLAFBOIDX-LCDJAWGCSA-N 498.391 6.461 50 10 JKGE CC(C)c1ccccc1O[C@H](C)/C(O)=C(\C#N)c1nc(-c2cc(Cl)ccc2Cl)cs1 1872758600 IALPLLGJQAZLBB-FSXJBPCSSA-N 459.398 7.500 50 10 JKGE CCOc1ccc(-c2csc(/C(C#N)=C/c3ccc(OCc4ccc(C)cc4)c(OCC)c3)n2)cc1 1872790273 WXPUOYQYYUUIDB-PCLIKHOPSA-N 496.632 7.559 50 10 JKGE N#C/C(=C(/O)CNC(=O)c1ccc(Cl)cc1Cl)c1nc(-c2ccc3ccccc3c2)cs1 1873940891 LZVVXCGWBKYNKY-QOCHGBHMSA-N 480.376 6.493 50 10 JKGE C[C@@]1(C(F)(F)F)C[C@H]1Oc1c(Br)cc(Br)cc1CBr 1909563177 PCXIXHNWAJFFDT-MWLCHTKSSA-N 466.917 5.826 50 10 JKGE C[C@@H](CCCl)N(Cc1ccccc1)C(=O)c1cc(Cl)ccc1I 1915091783 BSSUERIHXSCEPJ-ZDUSSCGKSA-N 462.158 5.604 50 10 JKGE C[C@H](c1ccccc1)[C@@H](Br)c1c(Br)sc(Br)c1Cl 1923038929 LOGLVQLGLBBBTC-GMSGAONNSA-N 473.455 7.166 50 10 JKGE C[C@@H](C[C@@H](Cl)c1c(Br)sc(Br)c1Br)C(F)F 1924569258 SDKODIXIMOASJN-IUYQGCFVSA-N 461.391 6.607 50 10 JKGE Cc1ccc(Br)c([C@@H](Br)c2c(Cl)sc(Br)c2Cl)c1 1925590045 WIGDACUZBQNETI-SECBINFHSA-N 493.873 7.373 50 10 JKGE Brc1cccnc1C[C@H](Br)c1cscc1OCc1ccccc1 1939522368 RFJNGPXPJCWWPA-INIZCTEOSA-N 453.199 6.163 50 10 JKGE CC(C)(C)OC(=O)N1CC(N(C[C@@H](CBr)c2ccccc2)OCc2ccccc2)C1 1982826998 QLBQKUZEGUWGNX-OAQYLSRUSA-N 475.427 5.218 50 10 JKGE CC[C@@H](C)[C@@H](Cl)c1c(Br)c(Br)cc(Br)c1Br 1995049087 WJROLJCVWICAQA-BLTYZCFWSA-N 498.278 7.063 50 10 JKGE Cc1cc(Br)c([C@H](Br)c2ccsc2Cl)cc1Br 2007552939 JKNVCTQVZZKUAO-LLVKDONJSA-N 459.428 6.719 50 10 JKGE Cl[C@@H](c1c(Br)sc(Br)c1Br)[C@@]12CC[C@@H](CO1)C2 2021889576 LDYHNSLSZDSTMK-ZXHVRRQWSA-N 465.432 5.885 50 10 JKGE N#CC(=C1SC=C(c2ccc(-c3ccccc3)cc2)N1c1ccccc1)c1nnc2n1CCCCC2 2052963844 MBMIDNAFZIIPDN-UHFFFAOYSA-N 487.632 7.116 50 10 JKGE CC1(C)OCCC[C@@H]1[C@@H](Br)c1c(Br)sc(Br)c1Cl 2066883584 LQOYMQZKOVWHNH-HTRCEHHLSA-N 481.475 6.568 50 10 JKGE Cc1c(Cl)cccc1Cn1nc(CBr)c(I)c1C(F)(F)F 2079240104 HKSKWGBINTUGCZ-UHFFFAOYSA-N 493.492 5.412 50 10 JKGE CC(C)(C)OC(=O)NCCSSCCN[C@H]1CCCN(C(=O)OC(C)(C)C)C12CCCC2 2083793470 ZQXMHFKQJWMYOO-SFHVURJKSA-N 489.748 5.194 50 10 JKGE Oc1nc2ccc([C@H](Br)c3csc(Br)c3Br)cc2[nH]1 2093941783 CFCFQFCROCYDMH-VIFPVBQESA-N 466.980 5.339 50 10 JKGE C[C@H](CBr)[C@H]1CCCCN1Cc1c(Br)cccc1Br 2094088179 IHEICNKQWIRGFZ-IAQYHMDHSA-N 454.044 5.597 50 10 JKGE COc1sc([C@H](Br)c2cc(C)cc(Br)c2F)cc1Br 2095771889 DMTPCVSAVYCEGX-LLVKDONJSA-N 472.999 6.214 50 10 JKGE Fc1cccc(Br)c1Oc1c(CBr)ccc(Br)c1Cl 2098112571 YALNAZCVBHSATP-UHFFFAOYSA-N 473.361 6.691 50 10 JKGE ClCc1cc(Br)c(OCc2snc(Cl)c2Cl)c(Br)c1 2110935664 WYZVAKVBNMCJCL-UHFFFAOYSA-N 466.409 6.293 50 10 JKGE Cc1cc(Br)c(C)c([C@@H](Br)[C@H]2C(C)(C)C2(F)F)c1Br 2136374975 QPRDYGDWGDTKHF-NEPJUHHUSA-N 460.982 6.556 50 10 JKGE C[C@H](CC(CBr)(CBr)c1ccc(Br)cc1)P(C)(C)=O 2139869437 UVBBWUMKVOCHES-LLVKDONJSA-N 474.999 5.878 50 10 JKGE O=C(NC1(CCCBr)CCC1)c1cc(Br)ccc1Br 2140873044 SSDFBBYOLDZXDF-UHFFFAOYSA-N 454.000 5.039 50 10 JKGE CC(C)(C)c1ccc([C@H](Cl)c2ccc(Br)cc2I)s1 2142286648 GIMNATHKFRIGKA-CQSZACIVSA-N 469.613 6.741 50 10 JKGE Fc1cccc(Br)c1[C@H](Br)c1cc(Br)c2c(c1)CCO2 2146628707 OYPGJJZZTJXUHP-CQSZACIVSA-N 464.954 5.770 50 10 JKGE FC(F)(F)c1ccc(C[C@H](Br)c2csc(Br)c2Br)cc1 2150341368 BIJHEOZZHKOMBV-JTQLQIEISA-N 492.980 6.971 50 10 JKGE Brc1cccc(Br)c1[C@@H](Br)c1cccc2ccccc12 2150495553 XRWISAFMZVBORY-KRWDZBQOSA-N 454.987 6.849 50 10 JKGE BrCc1cc(Br)c(OC[C@@H]2[C@H]3CCCCC[C@H]32)c(Br)c1 2167300981 YECASZQUOPVOBY-ITGUQSILSA-N 467.039 6.312 50 10 JKGE C[C@@H]1Cc2cc(Br)cc([C@@H](Cl)c3cc(Br)c(Cl)s3)c2O1 2172560978 WAQKWCDKEXMCMH-SREIQFSDSA-N 457.014 6.578 50 10 JKGE Cc1nn(C)c(Br)c1COc1c(Br)cc(Br)cc1CCl 2185795194 QWYDSNQSJFSULD-UHFFFAOYSA-N 487.417 5.334 50 10 JKGE Cc1nn(C)c(Br)c1C[C@@H](CBr)Cc1cccc(Br)c1 2185799836 ZJUZHXDSBFYJRX-LBPRGKRZSA-N 465.027 5.050 50 10 JKGE FC(F)(F)[C@@H]1OC2([C@H](Cl)c3c(Br)sc(Br)c3Cl)CC1C2 2193091108 IFWNOBNTCPJTQY-IJAJPTPBSA-N 474.951 6.316 50 10 JKGE BrCc1cc(Br)cc(Br)c1OC[C@@H]1CCC2(CC2)CO1 2205243835 PAXIBRLZTDJUIV-LBPRGKRZSA-N 469.011 5.445 50 10 JKGE O=C(c1ccc(I)c(Cl)c1)N1CCCC[C@H]1CCCBr 2206675781 WMDNGLCIXQFPMF-LBPRGKRZSA-N 470.576 5.114 50 10 JKGE CC(=CCCBr)c1sc(Br)c(Br)c1Br 2209973152 IIFKQVHYQPDICW-UHFFFAOYSA-N 467.846 6.224 50 10 JKGE Cc1sc([C@H](Br)c2c(C)sc(Br)c2C)c(C)c1Br 2218963944 DDPMTZOABGIWSJ-LLVKDONJSA-N 473.093 7.053 50 10 JKGE Cc1cc(Br)c([C@H](Cl)c2occc2Br)c(C)c1Br 2220142739 BDGOTBLGWKEWOL-LBPRGKRZSA-N 457.387 6.512 50 10 JKGE Fc1ccccc1[C@H](Cl)Cc1sc(Br)c(Br)c1Br 2222469141 AIEVVYWCTGSCTI-SSDOTTSWSA-N 477.418 6.697 50 10 JKGE CCCC(CCC)[C@H](Br)c1c(Br)cc(Cl)c(Cl)c1Cl 2224303386 WIZSMNQQKLAYES-LBPRGKRZSA-N 451.457 8.062 50 10 JKGE Cc1ccc([C@H](Br)c2ccc(F)c(Cl)c2F)cc1I 2224624838 DFVGPWKTPAWYDK-LBPRGKRZSA-N 457.483 6.016 50 10 JKGE Cc1oc(C)c([C@@H](Br)c2cc(Br)c(Br)cc2F)c1C 2225615198 DTOUCYNJZJHRTO-AWEZNQCLSA-N 454.959 6.353 50 10 JKGE Fc1cc(Br)c(Br)cc1[C@@H](Br)[C@@H]1CCCC12CCC2 2225617158 LZHTUKALCDZFMH-IINYFYTJSA-N 455.003 6.757 50 10 JKGE ClCc1nc2cc(Br)c(Br)cc2n1C[C@@H]1CCN(Cc2ccccc2)C1 2225702443 QGLNICQJURFOTM-OAHLLOKOSA-N 497.662 5.822 50 10 JKGE Clc1cc(Br)c([C@@H](Br)CC2CCCCCC2)c(Cl)c1Cl 2232511750 LONLOQZEUKOEOY-JTQLQIEISA-N 463.468 8.206 50 10 JKGE Cc1cc(Br)c([C@H](Br)[C@@H]2OC[C@H]3CCCC[C@H]32)cc1Br 2233190181 RZVAPGRTJDLXGO-NSLUBLRVSA-N 467.039 6.161 50 10 JKGE Fc1cc(Br)c(Br)cc1[C@@H](Br)c1cccc(C(F)F)c1 2233974315 DVZFTXUOCQGPEZ-ZDUSSCGKSA-N 472.924 6.773 50 10 JKGE COc1cc(Cl)c([C@@H](Cl)c2sc(C)c(Br)c2C)cc1Br 2234464138 LGKHPAGNGQGOIS-CYBMUJFWSA-N 459.030 6.880 50 10 JKGE Cc1ccc([C@H](Br)c2c(Br)cc(C)c(Br)c2C)c(C)c1 2235597142 AYDOWXOKOOVPRN-KRWDZBQOSA-N 461.035 6.930 50 10 JKGE COc1ccc(Br)c(CBr)c1OCc1snc(Cl)c1Cl 2236044052 NBJHVPJQLFSQTP-UHFFFAOYSA-N 461.990 5.695 50 10 JKGE CC[C@H](C)NCc1cc(Br)c(OC[C@H]2C[C@H]2Br)c(Br)c1 2240226926 ZEIHPMCMPDSDES-MVWJERBFSA-N 470.043 5.262 50 10 JKGE O=C(c1cc(Br)cc(Br)c1)N1C[C@H](Br)CC12CCCC2 2241028040 AJGCFCZIZCHPGX-CYBMUJFWSA-N 466.011 5.134 50 10 JKGE CCc1cc([C@H](Br)c2csc(I)c2)sc1Br 2243466210 BKOWHDHTROKMNE-SNVBAGLBSA-N 492.039 6.223 50 10 JKGE Clc1c(Br)sc(Br)c1[C@@H](Br)[C@H]1CCC12CCC2 2247331019 YOYATCJDETZKJI-SVRRBLITSA-N 463.460 6.943 50 10 JKGE Cc1cc(Br)c([C@H](Cl)c2cocc2Br)c(C)c1Br 2258145944 BIVDOQSJXJCPSJ-CYBMUJFWSA-N 457.387 6.512 50 10 JKGE CC(C)(C)C1CCC(CI)(O[C@H]2CCN(Cc3ccccc3)C2)CC1 2259472268 MZNVZAXFQFSGKF-FUHYEJFZSA-N 455.424 5.688 50 10 JKGE Cc1cc([C@H](Br)Cc2cc(Br)cc(Br)c2)ccc1Cl 2277961789 YDOKJKDMQKOYPQ-CQSZACIVSA-N 467.426 6.852 50 10 JKGE Cc1cc(Br)c([C@H](Cl)c2ccc(Br)cc2Br)c(C)c1F 2279155831 CNZJETGZIHGKRB-CQSZACIVSA-N 485.416 7.058 50 10 JKGE COc1sc([C@H](Br)c2cc(Br)cc(C(C)C)c2)cc1Br 2280676429 FSLNMXYCBKMLIS-CQSZACIVSA-N 483.063 6.889 50 10 JKGE Cc1cc(Br)c([C@@H](Cl)c2c(F)cccc2I)c(C)c1F 2282890054 XYRQOQIZGIWTAN-CQSZACIVSA-N 471.510 6.277 50 10 JKGE COc1cc(F)c(F)cc1[C@H](Br)c1ccc(Cl)c(I)c1 2283581856 ZFSJQXKKGGAHOE-CQSZACIVSA-N 473.482 5.716 50 10 JKGE COc1ccc([C@H](Br)c2csc(Cl)c2OC)c(Br)c1Cl 2284308623 HHGDJQDWEFSIEE-VIFPVBQESA-N 461.002 6.319 50 10 JKGE C[C@@H]1CCCC[C@]12[C@@H](Br)C[C@@H]2Oc1cc(I)ccc1Cl 2288259835 ZJEOZYUVPYACHT-GCUJQHFUSA-N 469.588 6.056 50 10 JKGE CCOc1cc(C=C(C#N)C(=O)Nc2ccccc2C(=O)O)ccc1OCc1cccc2ccccc12 2293294619 QKXHDGGETFOYAO-UHFFFAOYSA-N 492.531 6.061 50 10 JKGE Cc1cc(C=C(C#N)C(=O)Nc2cccc(Br)c2)c(C)n1-c1cccc(C(=O)O)c1 2294172061 YPLCECBTKVYMAR-UHFFFAOYSA-N 464.319 5.101 50 10 JKGE COc1cc([N+](=O)[O-])ccc1NC(=O)C(C#N)=Cc1cccc(OC(=O)c2cccc3ccccc23)c1 2295459803 ZTFAHPBCAFOCBL-UHFFFAOYSA-N 493.475 5.521 50 10 JKGE CCCc1sc(Br)cc1[C@@H](Br)c1cc(Br)sn1 2300650309 IUBMJAHVSZAONO-LLVKDONJSA-N 460.054 6.166 50 10 JKGE Fc1c(Br)cccc1[C@@H](Cl)c1sc(Cl)cc1I 2300955415 LZPBCRFEHIKNEZ-SECBINFHSA-N 465.940 6.236 50 10 JKGE CCOc1cc(C=C(C#N)c2ccc(C)cc2)cc(Br)c1OCc1ccc(Cl)cc1 2313521342 HQNRSHCGCYENEZ-UHFFFAOYSA-N 482.805 7.453 50 10 JKGE CCOc1cc(C=C(C#N)c2ccc([N+](=O)[O-])cc2)ccc1OS(=O)(=O)c1ccc(C)cc1 2313540914 CARCOSKIUDPQSW-UHFFFAOYSA-N 464.499 5.134 50 10 JKGE CCOc1cc(C=C(C#N)C(=O)Nc2ccc(OC)cc2)cc(Cl)c1OCc1ccc(F)cc1 2313541051 NUGGVCKBOYSDJQ-UHFFFAOYSA-N 480.923 6.011 50 10 JKGE CN(C)C(=O)C(C#N)=Cc1ccc(OCc2cccc3ccccc23)c(I)c1 2313567300 ILRCJBWADLOXKB-UHFFFAOYSA-N 482.321 5.019 50 10 JKGE Cc1cc(C=C(C#N)C(=O)N2CCN(c3ccccc3)CC2)c(C)n1-c1ccccc1Br 2313568418 VXMQUVCCDRTFBV-UHFFFAOYSA-N 489.417 5.112 50 10 JKGE COc1ccc(Cl)cc1-n1c(C)cc(C=C(C#N)C(=O)Nc2cccc(Cl)c2Cl)c1C 2313570928 JJLKUJHZWUXIOJ-UHFFFAOYSA-N 474.775 6.609 50 10 JKGE Cc1c(Cl)cccc1NC(=O)C(C#N)=Cc1ccccc1OCc1ccc(Cl)c(Cl)c1 2313667509 OATDVRFYSDZSRC-UHFFFAOYSA-N 471.771 7.080 50 10 JKGE CCCOc1cccc(-c2nn(-c3ccccc3)cc2C=C(C#N)S(=O)(=O)c2ccccc2)c1 2314476548 QKLHAJRVEOLZIG-UHFFFAOYSA-N 469.566 5.666 50 10 JKGE CCOC(=O)c1c(NC(=O)C(C#N)=Cc2ccc(-c3ccccc3[N+](=O)[O-])o2)sc2c1CCCC2 2314489233 QWTMTERMFQTLFQ-UHFFFAOYSA-N 491.525 5.517 50 10 JKGE CCCCCOc1ccc(C=C2C(=O)N(CCc3ccc(OC)c(OC)c3)C(=O)C(C#N)=C2C)cc1 2314617131 REWAESTXQXDFMM-UHFFFAOYSA-N 488.584 5.108 50 10 JKGE Cn1nc(Br)c(Br)c1[C@H](Br)Cc1cccc(Cl)c1 2316702321 YFMRAGOSKYYFAA-SECBINFHSA-N 457.391 5.277 50 10 JKGE CCOc1cc(C=NNC(=O)Cc2ccccc2)ccc1OCc1ccc(Cl)cc1Cl 2323328015 QRBMTCIRRVXMEE-UHFFFAOYSA-N 457.357 5.664 50 10 JKGE CCCCCCCCCOc1ccc(C=C(C#N)c2nc3ccccc3n2CC)c(Cl)c1 2323839878 KHBOSLBROYCXRY-UHFFFAOYSA-N 450.026 7.903 50 10 JKGE COc1ccc(-c2csc(C(C#N)=C(O)[C@@H](C(C)C)N3C(=O)c4ccccc4C3=O)n2)cc1C 2331259217 BMBPDNJATVZQDL-JOCHJYFZSA-N 473.554 5.241 50 10 JKGE COc1ccc(Cl)cc1N1C[C@@H](C(O)=C(C#N)c2nc(-c3ccc(C)cc3C)cs2)CC1=O 2331310746 DFXWZXPHZTYQNC-INIZCTEOSA-N 479.989 5.935 50 10 JKGE CC(C)(C)c1ccc(-c2csc(C(C#N)=C(O)CCCN3C(=O)c4ccccc4C3=O)n2)cc1 2331331514 IXVGCAKNFJOILB-UHFFFAOYSA-N 471.582 5.977 50 10 JKGE N#CC(=C(O)c1ccccc1I)c1nc(-c2ccc3c(c2)OCCO3)cs1 2331331786 RYILMBCMCPQHEI-UHFFFAOYSA-N 488.306 5.136 50 10 JKGE C=CCOc1ccccc1OCC(O)=C(C#N)c1nc(-c2cc(C(C)(C)C)ccc2C)cs1 2331397246 ZNJROPBGNDCEJY-UHFFFAOYSA-N 460.599 6.853 50 10 JKGE CCCCOc1c(Br)cc(C=C(C#N)c2nc(-c3cccc(OC)c3)cs2)cc1OC 2331421513 VXJFNWGXCQQDPC-UHFFFAOYSA-N 499.430 6.833 50 10 JKGE N#CC(=Cc1ccc(OC(=O)c2ccccc2)cc1)c1nc(-c2cc(Cl)ccc2Cl)cs1 2331489066 VYKCDABXJFBABO-UHFFFAOYSA-N 477.372 7.400 50 10 JKGE CC12CC(C1)[C@H]([C@@H](Br)Cc1cc(Br)cc(Br)c1)CO2 2337683609 RIYHALYCTBHJGR-MULWJCLTSA-N 453.012 5.333 50 10 JKGE Cc1ccc([C@@H](Br)c2c(C)cc(Br)c(F)c2Br)cc1 2339645528 ITDBBNALSBTFDE-CYBMUJFWSA-N 450.971 6.452 50 10 JKGE COc1c(Br)cc(C)c([C@@H](Br)[C@H](C)CC(C)C)c1Br 2339692141 VGDXLVWJUZQIPI-MFKMUULPSA-N 457.044 6.647 50 10 JKGE C[C@H](c1ccncc1F)[C@H](Cl)c1cc(Br)ccc1I 2344696070 PDTMMLWIJZDSQG-CLAHSXSESA-N 454.508 5.671 50 10 JKGE C[C@H](c1ccncc1F)[C@@H](Br)c1ccc(Cl)c(I)c1 2344715130 YOKPKPMRLDXKQN-XLKFXECMSA-N 454.508 5.718 50 10 JKGE CC1(C)[C@H]2CO[C@]1([C@H](Br)c1c(F)cc(Br)c(F)c1Br)C2 2359836059 NVCICRPWMHRYPD-PTHHYDLGSA-N 474.965 5.741 50 10 JKGE CO[C@@H]1CCC[C@H]([C@@H](Br)c2c(Cl)cc(Br)c(F)c2Br)C1 2362232967 ULWVAHLWGKHZKZ-JOAULVNJSA-N 493.436 6.645 50 10 JKGE N#C/C(C(=O)Nc1ccccc1)=C1\S[C@@H](Cc2ccc(Cl)cc2)C(=O)N1c1ccc(Cl)cc1 1790530 GDZSSTSOMMPSCI-SCIJIFGBSA-N 494.403 6.058 50 10 JKGE CCc1ccccc1N/C(SCc1ccc(F)cc1)=C(/C#N)S(=O)(=O)c1ccccc1 20325365 JPMQYBBSUAAOPQ-WCWDXBQESA-N 452.576 5.900 50 10 JKGE CCOc1ccc(/C=C/C(=O)Oc2ccc(/C=C(/C#N)c3ccc(OC)cc3)cc2OC)cc1OC 31902307 QQSQXNLKJPVRHY-MOVBOAJASA-N 485.536 5.794 50 10 JKGE COc1ccc(/C=C(/C#N)C(=O)Nc2ccc(NC(C)=O)cc2)cc1OCc1ccccc1Cl 33339007 QZDCCQUWRJNOAB-MOSHPQCFSA-N 475.932 5.432 50 10 JKGE Cc1nn(-c2cccc(Cl)c2)c(Cl)c1/C=C(/C#N)S(=O)(=O)c1ccc(Cl)cc1 34771369 FSCOTDOCXAHNEI-YVLHZVERSA-N 452.750 5.479 50 10 JKGE CCOc1cc(/C=C(/C#N)c2nc(O)c3ccccc3n2)ccc1OCC(=O)Nc1ccc(C)cc1 34988309 KIKHRHSEWOVENA-ZHZULCJRSA-N 480.524 5.124 50 10 JKGE CCOc1ccc(NC(=O)/C(C#N)=C/c2cn(-c3ccccc3)nc2-c2cccc(OCC)c2)cc1 35446432 JMWJRUBJTMMATG-OQKWZONESA-N 478.552 5.882 50 10 JKGE CCCCOc1ccccc1[C@H]1C(C#N)=C(N)Oc2cc(OC(=O)COc3ccc(F)cc3)ccc21 38682723 UMYNQJALDMLVBL-HHHXNRCGSA-N 488.515 5.207 50 10 JKGE CCCOc1cccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4ccc(Cl)cc4)ccc32)c1 38684373 FGIWAOUHQYRORE-DEOSSOPVSA-N 460.917 5.566 50 10 JKGE Cc1cccc(C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@H]3c2cccc(OCc3ccccc3)c2)c1 38686498 GZXKKGYNKQOKAL-LJAQVGFWSA-N 488.543 6.011 50 10 JKGE COc1ccccc1NC(=O)/C(C#N)=C\c1c(Oc2ccc(Cl)cc2)nc2c(C)cccn2c1=O 39858605 ORXLMDBKVIFPRF-VKAVYKQESA-N 486.915 5.003 50 10 JKGE Cc1ccc(C(C)C)c(OC(=O)c2oc3c(c2C)/C(=N/NC(=O)c2ccccc2O)CCC3)c1 40826511 QJXKHAQILDMLEA-VFCFBJKWSA-N 460.530 5.415 50 10 JKGE CCn1c(SCCCC(=O)N/N=C/c2ccccc2OCc2ccccc2)nc2ccccc21 58990387 UOLMOHUOWNUNGJ-TURZUDJPSA-N 472.614 5.658 50 10 JKGE CCOc1cc(/C=C(\C#N)C(=O)Nc2cc(C)ccc2C)ccc1OCc1ccc([N+](=O)[O-])cc1 59198812 HHGFYVPBOVFXNS-HYARGMPZSA-N 471.513 5.735 50 10 JKGE CCOc1cc(/C=C(\C#N)C(=O)NCc2ccc(OC)cc2)ccc1OCc1ccccc1F 59281942 DCFVCLSFPWQKBM-HYARGMPZSA-N 460.505 5.035 50 10 JKGE CCOc1cc(/C=C(/C#N)C(=O)Nc2ccc(C)cc2)cc(Cl)c1OCc1ccc(C(=O)O)cc1 59335582 QIEPEZVTFDZRFH-MTJSOVHGSA-N 490.943 5.870 50 10 JKGE O=C(N/N=C/c1ccccc1OCc1cccc2ccccc12)c1cc2cc(Br)ccc2o1 59680321 RAHIZIVNWVNNCT-MUFRIFMGSA-N 499.364 6.691 50 10 JKGE C=CCNC(=O)/C(C#N)=C1\S[C@@H](Cc2ccc(Cl)cc2Cl)C(=O)N1c1ccc(CC)cc1 101241484 YMZJHXHVHVMASD-GHIWRQRASA-N 486.424 5.284 50 10 JKGE COc1cccc(C[C@@H]2S/C(=C(\C#N)C(=O)Nc3ccc(C)cc3)N(c3ccccc3C)C2=O)c1 102473725 GGBHRDMAZDDSCR-SJUMRLIPSA-N 483.593 5.377 50 10 JKGE CCCCOC(=O)c1ccc(N/C=C(\C#N)c2nc(-c3ccc(OC(C)=O)cc3)cs2)cc1 102934524 QJJYRJWIKPPIPN-HMMYKYKNSA-N 461.543 5.669 50 10 JKGE COC(=O)c1c(NC(=O)c2cc(-c3ccc(F)cc3)nc3ccccc23)sc(/C(C)=C\C#N)c1C 103009132 ZBNLVVLCGQUPQF-QINSGFPZSA-N 485.540 6.377 50 10 JKGE Brc1cccc2c([C@H](Br)c3cc4c(s3)CCSC4)csc12 124016965 KLCITNUMIITHPE-HNNXBMFYSA-N 460.281 6.999 50 10 JKGE Fc1cc(Br)cc(COc2ccc(CBr)cc2Br)c1 124818134 ALQCZZPIVZHLAC-UHFFFAOYSA-N 452.943 5.825 50 10 JKGE Fc1ccc([C@@H](Cl)c2cc(Br)c(Br)s2)c(Br)c1 128131207 LYUFFSMYZLGXQR-SNVBAGLBSA-N 463.391 6.503 50 10 JKGE COc1ccc([C@H](Br)c2cc(Br)c(Br)s2)c(C)c1 128860071 WLWWDBDZJNVVKU-LBPRGKRZSA-N 455.009 6.074 50 10 JKGE COc1cc([C@@H](Br)c2ccc(Br)cc2F)c(OC)cc1Br 134297011 HBONIWHABFPUOG-HNNXBMFYSA-N 482.969 5.852 50 10 JKGE COc1ccc(/C=C\C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@H]3c2ccc(C(C)(C)C)cc2)cc1 205641158 ANPWKCFSNSPETH-FSWZZDKQSA-N 480.564 5.830 50 10 JKGE COc1cc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)/C=C\c4ccccc4)ccc32)ccc1OCC(C)C 205657194 DDVSFXUFENDKDR-YDRHHQOTSA-N 496.563 5.567 50 10 JKGE CC1=C(C#N)C(=O)N(C(C)C)C(=O)/C1=C\c1cn(-c2ccccc2)nc1-c1ccc(OC(C)C)c(C)c1 214248926 BRELSUOQUQMNAH-MYYYXRDXSA-N 494.595 5.636 50 10 JKGE CC(C)(C)[C@H](CCBr)NC(=O)c1cc(Br)cc(Br)c1 231157213 ZQWABUCBUQWDLQ-LBPRGKRZSA-N 456.016 5.141 50 10 JKGE Brc1cc(Br)cc([C@@H](Br)Cc2nc3ccccc3s2)c1 232478518 GEJOMQJQJMKSSF-LBPRGKRZSA-N 476.031 6.500 50 10 JKGE CC[C@@H]1CCCC[C@H]1Oc1c(Br)cc(CBr)cc1Br 233912962 XCJYOTQNXIQJCC-BXUZGUMPSA-N 455.028 6.454 50 10 JKGE Cc1sc(Br)cc1[C@H](Br)c1ccc(Cl)c(Br)c1 235823148 KYCAKJZMGQILDQ-GFCCVEGCSA-N 459.428 6.719 50 10 JKGE CC(=NNC(=O)CCCCCCC(=O)NN=C(C)c1ccc(C)cc1C)c1ccc(C)cc1C 252629773 UNJXHOMYTWGSGL-UHFFFAOYSA-N 462.638 5.641 50 10 JKGE CCOc1ccc2nc(Sc3ccc(C=NNC(=O)c4ccc(Cl)cc4)o3)sc2c1 254508281 IPCGRPKATBZICR-UHFFFAOYSA-N 457.964 5.857 50 10 JKGE O=C(NN=Cc1ccccc1OCc1ccccc1)c1ccc(CN2CCc3ccccc3C2)cc1 254557614 KBZVIEJFXYVJOR-UHFFFAOYSA-N 475.592 5.588 50 10 JKGE CC[C@@H](C)c1ccc(OCC(=O)NN=Cc2cc(N=Nc3cccc4ccccc34)ccc2O)cc1 254565574 CFMQSNZUDDQALA-HXUWFJFHSA-N 480.568 7.003 50 10 JKGE CC(=NNC(=O)c1ccc(OCC(=O)N2[C@@H](C)CCC[C@@H]2C)cc1)c1cccc(C(F)(F)F)c1 254817388 SYOADWSMKUOOLG-IRXDYDNUSA-N 475.511 5.028 50 10 JKGE CC(C)c1cc(C(=O)NN=Cc2cc(Cl)ccc2OCc2cccc(Br)c2)cs1 254898916 RPCKFRFFSCPLFM-UHFFFAOYSA-N 491.838 6.630 50 10 JKGE COc1ccc2cc([C@H](Br)c3sccc3I)ccc2c1 312304028 AGOPDUBJECTIKI-HNNXBMFYSA-N 459.146 5.999 50 10 JKGE Cc1cccc(C(CBr)(CBr)Cc2coc(Br)c2)c1 378953580 RVKSLHKGSCPBKJ-UHFFFAOYSA-N 450.996 5.621 50 10 JKGE C[C@H]1C[C@@H](n2c(CCl)nc3cc(I)c(F)cc32)CCN1Cc1ccccc1 379600712 AJVPUGLSPSFOIE-HOCLYGCPSA-N 497.783 5.744 50 10 JKGE Clc1ccc([C@@H]2CN(Cc3ccccc3)C[C@H]2CI)c(Br)c1 382684622 DQNWFEPLSIXUIJ-RHSMWYFYSA-N 490.610 5.753 50 10 JKGE Fc1cc([C@@H]2CN(Cc3ccccc3)C[C@H]2CI)ccc1Br 382692904 JKNKASAKWNWVKP-CVEARBPZSA-N 474.155 5.239 50 10 JKGE FC(F)(F)CCCC(CBr)(CBr)c1ccc(Br)cc1 396581113 KMBNDNFQQPFKQM-UHFFFAOYSA-N 466.961 6.209 50 10 JKGE ClCCc1nc2cc(I)ccc2n1CC1CCN(Cc2ccccc2)CC1 397560450 VRQYUDPFVJJIDV-UHFFFAOYSA-N 493.820 5.334 50 10 JKGE C[C@H](Cl)c1nc2cc(F)c(Br)cc2n1[C@H]1C[C@@H](C)N(Cc2ccccc2)C1 398219594 SACFVUAYPYBTIH-YCPHGPKFSA-N 450.783 6.073 50 10 JKGE CC1(C)CC(/C=C/c2ccc(N3N=C(c4ccccc4)C[C@H]3c3ccccc3)cc2)=CC(=C(C#N)C#N)C1 685944476 QIWADIDXDSJKMZ-GVINIABESA-N 494.642 8.146 50 10 JKGE Brc1ccc(Br)c([C@H](Br)Cc2ccccc2Br)c1 692424699 CREMCZLHDGJZBM-CQSZACIVSA-N 497.850 6.653 50 10 JKGE Brc1sccc1[C@H](Br)c1ccc(Br)c2ccccc12 698574974 JBMPUXNHTBIQPG-CQSZACIVSA-N 461.016 6.911 50 10 JKGE CCOc1ccc([C@@H](Br)c2ncsc2Br)c(Br)c1 698648860 UNGIVQLNNKTPLB-SNVBAGLBSA-N 455.997 5.551 50 10 JKGE ClCc1cc(Br)cc(Br)c1OCc1ccncc1Br 702846348 PWPOOBKYTGFUQG-UHFFFAOYSA-N 470.386 5.687 50 10 JKGE Clc1cc([C@H](Cl)c2scc(Br)c2Br)sc1Br 705410886 VAQIHLBTMIDLFW-ZETCQYMHSA-N 485.875 7.079 50 10 JKGE COc1ccc(Br)cc1[C@@H](Cl)c1scc(Br)c1Br 705439366 PGANJBWIVILORU-LLVKDONJSA-N 475.427 6.372 50 10 JKGE CN(Cc1ccccc1)[C@@H](Cn1c(CCCl)nc2cc(I)ccc21)C1CC1 717992343 AOJKJYMJDBDPHK-NRFANRHFSA-N 493.820 5.333 50 10 JKGE O=C(NN=C(CSc1nc2ccccc2[nH]1)c1ccc(-c2ccccc2)cc1)c1cccnc1 1083964210 AWOPYROJNAUNEO-UHFFFAOYSA-N 463.566 5.551 50 10 JKGE Cc1cc(C=NNC(=O)c2ccccc2Br)c(C)n1-c1ccc(Cl)c([N+](=O)[O-])c1 1084064012 TZUWCZGDJPQQQG-UHFFFAOYSA-N 475.730 5.182 50 10 JKGE C=CCOc1c(Cl)cc(/C=C(\C#N)C(=O)Nc2cccc(Cl)c2Cl)cc1Br 1084155505 ZCZXPTIZFQOAIV-KPKJPENVSA-N 486.580 6.520 50 10 JKGE CC(=NNC(=O)CSc1nnc(-c2cccnc2)n1-c1ccccc1)c1ccc2ccccc2c1 1084545897 UIJLKAKAQBHRGB-UHFFFAOYSA-N 478.581 5.115 50 10 JKGE CC(=NNC(=O)CCC(=O)Nc1ccc(Cl)cc1Cl)C(c1ccccc1)c1ccccc1 1084558683 WEUWNYVHFPDVOJ-UHFFFAOYSA-N 468.384 6.036 50 10 JKGE O=C(CSc1cccc2ccccc12)NN=Cc1ccccc1OCc1ccc([N+](=O)[O-])cc1 1565518794 DUFKLSVUHBMGSD-UHFFFAOYSA-N 471.538 5.569 50 10 JKGE CCOc1ccc(/C=N/NC(=O)CCCCCCCCC(=O)N/N=C/c2ccc(OCC)cc2)cc1 1615950883 NFBDQQAMKBWQIS-VFIVCBTMSA-N 494.636 5.205 50 10 JKGE N#CC1=C(N)Oc2c(c(-c3ccccc3)nn2Cc2c(F)cccc2Cl)[C@H]1c1ccccc1F 1865683891 PPGWMWFOZCYQLR-QFIPXVFZSA-N 474.898 5.748 50 10 JKGE Cc1ccc(O)c([C@H]2C(C#N)=C(N)Oc3c2c(-c2ccccc2)nn3-c2cccc(Cl)c2)c1 1865686933 FKSAPJBWTUSQPO-QFIPXVFZSA-N 454.917 5.425 50 10 JKGE N#CC1=C(N)Oc2c(c(-c3ccccc3)nn2Cc2ccc(Cl)cc2)[C@H]1c1cc(Cl)ccc1O 1865688779 ALFLXZZMVKWHMD-QFIPXVFZSA-N 489.362 5.829 50 10 JKGE C=CCOc1ccccc1[C@H]1C(C#N)=C(N)Oc2c1c(CCC)nn2Cc1c(F)cccc1Cl 1865690887 DIEJSWHIGVRICQ-QHCPKHFHSA-N 478.955 5.459 50 10 JKGE CCCOc1ccc([C@H]2C(C#N)=C(N)Oc3c2c(CCC)nn3Cc2cccc(Cl)c2)cc1 1865693873 MHKXEUFYURCZQK-QHCPKHFHSA-N 462.981 5.544 50 10 JKGE CCCc1nn(Cc2c(F)cccc2Cl)c2c1[C@@H](c1ccc(OCC)cc1)C(C#N)=C(N)O2 1865694579 XKBPXLVDZRAFRM-QFIPXVFZSA-N 466.944 5.293 50 10 JKGE Cc1ccc(Cn2nc(C)c3c2OC(N)=C(C#N)[C@@H]3c2ccccc2OCc2ccc(Cl)cc2)cc1 1865701399 UTKZVCQPRBPYFO-MHZLTWQESA-N 496.998 5.999 50 10 JKGE CCCc1nn(-c2ccccc2)c2c1[C@@H](c1ccc(N(CC)Cc3ccccc3)cc1)C(C#N)=C(N)O2 1865706683 CIGOYWUQUCEWQD-NDEPHWFRSA-N 489.623 6.069 50 10 JKGE COc1ccc([C@@H]2C(C#N)=C(N)Oc3c2c(-c2ccccc2)nn3-c2cccc(Cl)c2)c(OC)c1 1865707758 FISIQSSRJNOMNX-HSZRJFAPSA-N 484.943 5.428 50 10 JKGE CCc1nn(Cc2ccc(Cl)c(Cl)c2)c2c1[C@H](c1ccc(C(F)(F)F)cc1)C(C#N)=C(N)O2 1865711393 XKDAZHZKAZOQGQ-LJQANCHMSA-N 493.316 6.038 50 10 JKGE N#CSc1ccc(NC(=O)[C@H](Cc2ccc(F)cc2)NC(=O)[C@@H]2C[C@H]2c2ccc(F)cc2)cc1 1866936812 PGWNJFAFOKPCEN-VXNXHJTFSA-N 477.536 5.008 50 10 JKGE N#CSc1ccc(Nc2cc(N3CC[C@@H](c4ccc5c(c4)OCO5)C3)nc(-c3cccnc3)n2)cc1 1868565873 OVMUHLLCGLILME-HXUWFJFHSA-N 494.580 5.578 50 10 JKGE CCn1cc(/C=C2\Oc3cc(OCc4cccc(CCl)c4)cc(C)c3C2=O)c2ccccc21 1871437444 XVZCKBIRYPYAOP-ZMFRSBBQSA-N 457.957 6.904 50 10 JKGE COc1cc(/C=C(\C#N)n2cnc3ccccc32)ccc1OC(=O)c1ccc(Cl)cc1Cl 1872727196 FNUUDACOWNZWOQ-LICLKQGHSA-N 464.308 6.093 50 10 JKGE CC[C@@H](C)N1C(=O)c2ccc(/C(O)=C(\C#N)c3nc(-c4cc(C)ccc4C)cs3)cc2C1=O 1872749927 OCZDMFBEBNLOHL-DLTPIXJPSA-N 457.555 5.771 50 10 JKGE N#C/C(=C\c1c(OCc2ccccc2)ccc2ccccc12)c1nc(-c2ccc3ccccc3c2)cs1 1872782743 SASSNLGXDBHNJD-TURZUDJPSA-N 494.619 8.760 50 10 JKGE Cc1cc(Br)c([C@H](Br)[C@H]2C[C@@]23CCCOC3)cc1Br 1894140123 BDYIFWOHHFUKSL-BYCMXARLSA-N 453.012 5.773 50 10 JKGE F[C@H]([C@H](Br)c1ccc(OCc2ccccc2)cc1Br)C(F)(F)F 1899853367 SZNWNRXFSODQGL-HUUCEWRRSA-N 456.071 6.365 50 10 JKGE CC(C)[C@@H](CCl)N(Cc1ccccc1)Cc1ccc(Cl)c(I)c1 1900395158 FCWLMPAKMOTRMN-LJQANCHMSA-N 462.202 6.210 50 10 JKGE Cc1ccc(F)c([C@@H](Br)c2sc(Br)c(C)c2Br)c1F 1922880360 DIMKLNLBCRUJFF-SNVBAGLBSA-N 474.990 6.652 50 10 JKGE Cc1c(Br)sc([C@H](Br)c2c(Cl)cnn2C)c1Br 1922907100 PZUOEPKYXWXVLH-SSDOTTSWSA-N 463.420 5.453 50 10 JKGE Fc1ccc(Cl)cc1[C@@H](Br)c1c(Br)sc(Br)c1Cl 1923054137 AWFCJIRBWUSTLQ-MRVPVSSYSA-N 497.836 7.203 50 10 JKGE COc1ccc([C@H](Br)[C@H](C)c2ccncc2Br)cc1Br 1924039160 HZPQWGXJOAMQME-RFAUZJTJSA-N 463.995 5.855 50 10 JKGE CC(C)C[C@@H]1C[C@H]1[C@H](Cl)c1c(Br)sc(Br)c1Br 1924604680 GQFROIKTRBOECY-XSSZXYGBSA-N 465.476 6.998 50 10 JKGE COC[C@]1([C@H](Cl)c2c(Br)sc(Br)c2Br)CCCO1 1924615882 HSRBDGPJANIFEJ-KCJUWKMLSA-N 483.447 5.511 50 10 JKGE COc1ccc(Cl)cc1[C@H](Br)c1csc(Br)c1Br 2032958316 AQFJNIMZOIBFNP-JTQLQIEISA-N 475.427 6.419 50 10 JKGE Fc1cc(Br)c([C@@H](Br)c2cscc2OCc2ccccc2)c(F)c1F 2038687576 BSKNDRSTXJJOMC-INIZCTEOSA-N 492.154 6.991 50 10 JKGE Cc1sc(Br)c([C@@H](Cl)c2cc(Br)ccc2Br)c1C 2039501509 XYMCLQXFMDQBHE-LBPRGKRZSA-N 473.455 6.981 50 10 JKGE BrC[C@@H](Cc1ccc(Br)cc1)Cc1cc(Br)sn1 2084085421 BPNMCOOLBVPHDA-JTQLQIEISA-N 454.025 5.464 50 10 JKGE CC(C)[C@@H]1CC[C@H](Br)[C@H](Cc2cccc(Br)c2Br)C1 2092336137 UOCLFAXDCLVNSY-XBFCOCLRSA-N 453.056 6.590 50 10 JKGE C[C@H]1CO[C@H](CC(CBr)(CBr)c2cccc(Br)c2)C1 2110063771 FTBHAXNKPYGTFW-RISCZKNCSA-N 455.028 5.292 50 10 JKGE C[C@H]1CC[C@@H](COc2c(Br)cc(CBr)cc2Br)OC1 2116416587 ATLBYTDOEOCFCE-ONGXEEELSA-N 457.000 5.300 50 10 JKGE CCc1cc([C@H](Br)c2scc(Br)c2Br)c(F)cc1F 2118736068 IZXXAYGPJRLAHJ-NSHDSACASA-N 474.990 6.598 50 10 JKGE CCCN[C@H](c1ccc(Br)c(C)c1Br)C1CC(Br)C1 2138872891 VFUATXNBSKOTCS-NWHVRFAMSA-N 454.044 5.734 50 10 JKGE Clc1ccc(C(CBr)(CBr)Cc2csc(Br)c2)cc1 2139779520 JCLXOAMPTOAOLP-UHFFFAOYSA-N 487.482 6.434 50 10 JKGE CC1(C)CCC[C@]1(CBr)NC(=O)c1ccc(Br)cc1Br 2150545481 NPXVZNXHMJTVQC-OAHLLOKOSA-N 468.027 5.285 50 10 JKGE BrC[C@@H]1CCC2(CCC2)CN1Cc1ccc(Br)cc1Br 2152060274 GTGOVZLKWGZAHA-AWEZNQCLSA-N 466.055 5.741 50 10 JKGE ClCc1ccc(Br)c(Cl)c1N1CC[C@H]2CCN(Cc3ccccc3)C[C@@H]2C1 2154374935 AYDKCHUBRWVHQG-IEBWSBKVSA-N 468.266 6.190 50 10 JKGE CN(Cc1ccc(Br)cc1Br)C[C@@H](Br)C1CCCCC1 2167651527 FECCBVJXWAWZNJ-MRXNPFEDSA-N 468.071 5.987 50 10 JKGE Cc1nn(C)c2sc([C@H](Br)c3c(Cl)sc(Br)c3Cl)cc12 2175242667 FOSNJVGRXKYBPR-QMMMGPOBSA-N 475.058 6.558 50 10 JKGE CCCC[C@@H](C)CC[C@H](Br)c1c(C)c(Br)cc(C)c1Br 2207148382 SDAJBKSFPXNJIF-RISCZKNCSA-N 469.099 7.871 50 10 JKGE Brc1cc(Br)c([C@H](Br)[C@@H]2OC[C@H]3CCCC[C@@H]32)s1 2218097391 FKIASHMQDJEPQN-IWXIMVSXSA-N 459.041 5.914 50 10 JKGE Cc1cc(Br)c([C@@H](Br)[C@H](C)C(F)(F)F)c(C)c1Br 2220143198 CSQNFVUYJZNAKX-CPCISQLKSA-N 452.934 6.463 50 10 JKGE Cc1ccc([C@H](Br)c2cc(Br)c(Br)s2)c(F)c1F 2223311369 CNTGLUVBRMHNFP-VIFPVBQESA-N 460.963 6.344 50 10 JKGE FC(F)(F)[C@@H]1CCO[C@H]1[C@H](Br)c1cc(Br)sc1Br 2223760606 QTXOSGXMVFRSKW-LPBLVHEISA-N 472.946 5.677 50 10 JKGE C[C@H](Cl)c1nc2cc(Br)ccc2n1C[C@@H]1CC1(Br)Br 2224804338 JRTUDLOFLGBUCM-YUMQZZPRSA-N 471.418 5.605 50 10 JKGE C[C@@H]1C[C@@H](n2c(CCl)nc3cc(Br)c(Br)cc32)CN1Cc1ccccc1 2225704912 QXCWUMZCOOHPGX-UKRRQHHQSA-N 497.662 6.136 50 10 JKGE COc1cc(F)cc([C@H](Br)c2cc(Br)ccc2Br)c1 2226030314 MQMMJTSHPSDMSM-AWEZNQCLSA-N 452.943 5.844 50 10 JKGE Cc1cc(Br)c([C@@H](Br)[C@@H]2CC(C)(C)CO2)c(C)c1Br 2227354005 VQTLZIOSZQRPNX-FZMZJTMJSA-N 455.028 6.080 50 10 JKGE O=C(c1ccc(-c2nc(CCl)cs2)c(F)c1)N(Cc1ccccc1)Cc1ccccc1 2249730499 WOEIMNKEHJEVRQ-UHFFFAOYSA-N 450.966 6.531 50 10 JKGE Clc1cccc([C@@H](Br)Cc2ccncc2Br)c1Br 2256124041 UKTULKFQJHOQFT-JTQLQIEISA-N 454.387 5.939 50 10 JKGE COc1ccc([C@H](Br)c2cc(Cl)c(Cl)s2)cc1I 2257367654 BTFUSBPWURFFMH-NSHDSACASA-N 477.976 6.152 50 10 JKGE Cl[C@H](C[C@H]1CCCCC12CC2)c1c(Br)sc(Br)c1Br 2264947859 NUIGZSPIPYLDJT-RKDXNWHRSA-N 491.514 7.676 50 10 JKGE CC1(C)[C@@H]([C@@H](Br)c2c(F)cc(Br)c(F)c2Br)C1(F)F 2272733961 KRYAPAIGRIACPJ-WCBMZHEXSA-N 468.908 6.217 50 10 JKGE Fc1cc(Br)c(F)c(Br)c1[C@@H](Br)[C@@H]1CC12CCCC2 2272733996 KWYUWLNTCQUVSA-CPCISQLKSA-N 458.966 6.506 50 10 JKGE FC1(F)C[C@@](CBr)(Cc2cc(Cl)ccc2I)C12CCC2 2280845360 IWRFPEYLTPWNSY-CYBMUJFWSA-N 475.542 6.078 50 10 JKGE Cc1cc(F)c(Br)cc1[C@@H](Br)c1cc(Cl)c(Br)cc1F 2285938500 CURZEWUAJILNJN-CQSZACIVSA-N 489.379 6.936 50 10 JKGE CCOC(=O)C(C#N)=C1S[C@@H](Cc2ccc(Cl)cc2Cl)C(=O)N1c1ccc(F)cc1 2293039268 VUYGHOZWBJIGGK-SFHVURJKSA-N 465.333 5.122 50 10 JKGE CCOc1cc(C=C(C#N)C(=O)Nc2ccc(C)cc2)ccc1OCCOc1cccc(OC)c1 2293625474 UMZJOTHDSXUMAP-UHFFFAOYSA-N 472.541 5.406 50 10 JKGE CCOc1cc(C=C(C#N)C(=O)Nc2ccccc2)ccc1OCCOc1cc(C)ccc1C(C)C 2294593220 IUYPLQWXIHWUPC-UHFFFAOYSA-N 484.596 6.521 50 10 JKGE O=C(Cc1cc(Br)cc(Br)c1)Nc1ccc(CBr)cc1 2295315153 IGRATCPWCIILDP-UHFFFAOYSA-N 461.979 5.288 50 10 JKGE FC(F)c1ccc([C@@H](Br)Cc2cc(Br)cc(Br)c2)cc1 2295329248 GDQYEYRQCCILKS-AWEZNQCLSA-N 468.961 6.828 50 10 JKGE CCOC(=O)c1ccc(NC(=O)C(C#N)=Cc2c(-c3ccccc3)nc3c(C)cccn23)cc1 2296790936 OIQSVVOQOIHGRD-UHFFFAOYSA-N 450.498 5.032 50 10 JKGE CC(=O)Nc1ccc(-n2c(C)cc(C=C(C#N)C(=O)Nc3ccc(Br)cc3)c2C)cc1 2297533347 BYKPSZJJNSVVRK-UHFFFAOYSA-N 477.362 5.361 50 10 JKGE Cc1ccccc1NC(=O)C(C#N)=Cc1cn(CCOc2ccc(C(C)(C)C)cc2)c2ccccc12 2297551904 ARYALTPKBHHLNQ-UHFFFAOYSA-N 477.608 6.872 50 10 JKGE CC(F)(F)[C@@H]1C[C@H]1[C@@H](Br)c1ccc(OCc2ccccc2)cc1Br 2299489961 UTDKOTAGBYAOBA-NUJGCVRESA-N 460.156 6.755 50 10 JKGE Fc1cc(Br)c(Br)cc1[C@@H](Br)[C@@H]1C[C@H]1C(F)(F)F 2312326830 AXWPNCCKUYZFFH-SVNSUYFQSA-N 454.881 5.985 50 10 JKGE N#CC(=Cc1cn(Cc2ccc(Cl)cc2)c2ccc(Br)cc12)C(=O)NC[C@H]1CCCO1 2313624332 PTRRGXASGLFMCO-OAQYLSRUSA-N 498.808 5.308 50 10 JKGE Cc1ccc(COc2ccc(Cl)cc2C=C(C#N)C(=O)Nc2ccc(Cl)c(Cl)c2)cc1 2313631079 KCFKIINRXHXCSK-UHFFFAOYSA-N 471.771 7.080 50 10 JKGE CCOc1c(Br)cc(C=C(C#N)C(=O)Nc2cccc3ccccc23)cc1OC 2313738583 IEAUMZFOCHEUHZ-UHFFFAOYSA-N 451.320 5.555 50 10 JKGE FC(F)(F)[C@@H]1C[C@@H]1C[C@H](Br)c1ccc(OCc2ccccc2)cc1Br 2314445699 PZAWYVASKQCXPK-XYPHTWIQSA-N 478.146 7.053 50 10 JKGE FC(F)(F)COCC[C@@H](Br)c1cc(Br)ccc1OCc1ccccc1 2314485485 ANWBZVXTJGPGJV-MRXNPFEDSA-N 482.134 6.433 50 10 JKGE CCCc1sc(Br)cc1[C@@H](Br)c1scc(C)c1Br 2316170159 HWDSWOUDULIOAY-GFCCVEGCSA-N 473.093 7.080 50 10 JKGE Clc1cc(I)c([C@@H](Br)[C@H]2OC[C@@H]3CCCC[C@H]23)s1 2316597874 XAYDFHCBNXHJSR-OSTYVCCYSA-N 461.590 5.647 50 10 JKGE Cc1scc([C@@H](Cl)Cc2cc(Br)cc(Br)c2)c1Br 2320470959 KUYNSQRJDIEMJT-LBPRGKRZSA-N 473.455 6.867 50 10 JKGE COc1ccc(C=CC(=O)Oc2ccc(C=C(C#N)c3ccc(OC)c(OC)c3)cc2)cc1OC 2320506986 WCRDSRGKMDZJRC-UHFFFAOYSA-N 471.509 5.404 50 10 JKGE COc1ccc(Cc2nc3ccc(C(=O)NN=Cc4cccc(Cl)c4Cl)cc3[nH]2)cc1 2323720858 MQVZYQDHOSQBJT-UHFFFAOYSA-N 453.329 5.233 50 10 JKGE N#CC(=Cc1cc(Br)ccc1OCc1ccc(Cl)c(Cl)c1)c1nc2ccccc2[nH]1 2331021389 SENUEQYNYBHTRN-UHFFFAOYSA-N 499.195 7.275 50 10 JKGE N#CC(=C(O)Cc1ccc(Br)cc1)c1nc(-c2ccc(-c3ccccc3)cc2)cs1 2331231532 XEHQAIOBCCCMCW-UHFFFAOYSA-N 473.395 7.275 50 10 JKGE CCOc1ccc(-c2csc(C(C#N)=C(O)[C@H]3CC(=O)N(Cc4ccccc4)C3)n2)c(OCC)c1 2331386652 XBLRVYDELOSTEC-IBGZPJMESA-N 489.597 5.449 50 10 JKGE COc1c(Cl)cc(-c2csc(C(C#N)=C(O)c3ccc(NS(C)(=O)=O)cc3)n2)cc1Cl 2331396466 CHDLOSFFDQKRES-UHFFFAOYSA-N 496.397 5.447 50 10 JKGE COc1c(Cl)cc(-c2csc(C(C#N)=C(O)CCCOc3ccccc3Cl)n2)cc1Cl 2331397728 YLRSFOFAVPALOT-UHFFFAOYSA-N 495.815 7.431 50 10 JKGE CC(C)(C)c1ccc(-c2csc(C(C#N)=Cc3cccc(OCc4ccccc4)c3)n2)cc1 2331453668 SWNLMSWUEXSUMC-UHFFFAOYSA-N 450.607 7.751 50 10 JKGE Cc1cc(I)c(Oc2ncc(CBr)cc2C)cc1Cl 2336559640 WVITUYNBFRKXJR-UHFFFAOYSA-N 452.517 5.644 50 10 JKGE CC(C)(C)[C@@H]1C[C@@H]1[C@@H](Br)c1c(Cl)cc(Br)c(F)c1Br 2337082642 OLPCWLRNUHSOFO-MVKOHCKWSA-N 477.437 7.122 50 10 JKGE Clc1ccc([C@@H](Br)CCc2ccc(Cl)c(I)c2)cc1 2337217815 BHGANIUJUGVDEC-ZDUSSCGKSA-N 469.975 6.667 50 10 JKGE Clc1ccc(C[C@H](CBr)C2CCCCCC2)cc1I 2337225258 JRKKKKGFBLXZQX-CQSZACIVSA-N 455.605 6.469 50 10 JKGE Cc1cc(Br)c(F)c(Br)c1[C@H](Br)[C@]1(C)CCCCO1 2339659809 WRIHJYFPHQWLBP-KBPBESRZSA-N 458.991 6.054 50 10 JKGE Cc1c(Br)ccc([C@H](Br)C[C@@H]2CC[C@H]2C2CC2)c1Br 2342174284 SZOZGEAITSFDMR-SLEUVZQESA-N 451.040 6.782 50 10 JKGE Cc1cc(Br)c([C@@H](Br)[C@@H]2CC[C@H]3[C@@H](C2)C3(F)F)cc1Br 2354767583 YILHJXIUFVOHEN-KMUQISDUSA-N 472.993 6.637 50 10 JKGE CCC1CCC([C@@H](Br)c2c(C)cc(Br)c(F)c2Br)CC1 2365179827 PYNMBJYPYRYQFB-QIMFLAQGSA-N 471.046 7.312 50 10 JKGE Cc1cc(Br)c(F)c(Br)c1[C@H](Br)[C@@H]1[C@H]2CCCCC[C@H]21 2365191858 RXYKPFHKKZSLGA-PJQZNRQZSA-N 469.030 6.921 50 10 JKGE Cc1cc(Br)c(F)c(Br)c1[C@@H](Br)c1cc(F)cc(Cl)c1 2365222455 DDYBDTDVGICRBP-LBPRGKRZSA-N 489.379 6.936 50 10 JKGE O=C(Nc1ccc(CBr)c(F)c1)c1cc(Cl)ccc1I 2367689737 QZRLGRJTXKPLPK-UHFFFAOYSA-N 468.491 5.231 50 10 JKGE CC1(C)CC[C@H](CC(CBr)(CBr)c2cccc(Br)c2)C1 2367693328 VNRJFKZDAPZLIO-ZDUSSCGKSA-N 467.083 6.693 50 10 JKGE N#CC1=C2N=C(N)c3ccccc3N2C2=C(C(=O)C[C@@H](c3ccccc3)C2)[C@@H]1c1ccccc1F 3654427 DGMOWYHWAMKBMU-HFJWLAOPSA-N 460.512 5.284 50 10 JKGE CCc1ccc([C@@H]2C(C#N)=C(N)N(c3ccc(Br)cc3C)C3=C2C(=O)CC(C)(C)C3)s1 9981505 NOZYNFCOOLSUEQ-QFIPXVFZSA-N 496.474 6.322 50 10 JKGE O=C(COc1ccc(Br)cc1Cl)N/N=C(/C=C/c1ccccc1)c1ccccc1 13977925 PNSICTSCMDBRMT-BLHYNECUSA-N 469.766 5.715 50 10 JKGE CCc1ccc(Oc2nc3c(C)cccn3c(=O)c2/C=C(/C#N)c2nc3ccccc3n2C)cc1 35549951 DWIDKLJPACDJNS-SILNSSARSA-N 461.525 5.309 50 10 JKGE O=C(Nc1c(Br)cc(Br)cc1Br)c1cccc(CCl)c1 36930109 JDPJNRYSVFYNKG-UHFFFAOYSA-N 482.397 5.965 50 10 JKGE CC(C)CCOc1cccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4ccccc4[N+](=O)[O-])ccc32)c1 38684664 RGCJWEYPASFGTD-SANMLTNESA-N 499.523 5.457 50 10 JKGE CCCCCOc1ccccc1[C@@H]1C(C#N)=C(N)Oc2cc(OC(=O)c3ccc(F)cc3)ccc21 38686027 BRIPQWVNZPVOCF-SANMLTNESA-N 472.516 5.832 50 10 JKGE N#CC1=C(N)Oc2cc(OC(=O)c3sc4ccccc4c3Cl)ccc2[C@@H]1c1cccs1 38688356 GGWLDIGZCQIDDD-IBGZPJMESA-N 464.955 6.054 50 10 JKGE O=C(NNc1ncnc(Oc2ccc3ccccc3c2)c1[N+](=O)[O-])C(c1ccccc1)c1ccccc1 40586670 DAVXJIGAWZCONU-UHFFFAOYSA-N 491.507 5.606 50 10 JKGE O=C(CSc1c(Cl)c(Cl)c(Cl)c(Cl)c1Cl)N/N=C/c1ccccc1F 59154208 BIYAPKBOMDBJKA-RREIPUBJSA-N 460.572 6.335 50 10 JKGE C=CCc1cc(/C=N/NC(=O)c2cc3ccccc3o2)ccc1OCc1ccc2ccccc2c1 59303962 QMEZGALTRVXAMH-ZCTHSVRISA-N 460.533 6.657 50 10 JKGE CCOc1ccc2nc(Sc3ccc(/C=N/NC(=O)COc4ccc(CC)cc4)o3)sc2c1 59506481 YMBTZVIXALNZEF-AFUMVMLFSA-N 481.599 5.531 50 10 JKGE BrC[C@@H](Cc1ccc(I)cc1)Cc1ccccc1Br 97186100 MODILXFWNVKTPR-ZDUSSCGKSA-N 494.008 5.850 50 10 JKGE CSc1ccc([C@H](Br)c2cc(Br)ccc2Br)cc1 98021647 RCABIHYNNXXUJJ-AWEZNQCLSA-N 451.021 6.418 50 10 JKGE N#C/C(C(=O)CSc1ncnc2scc(-c3ccccc3)c12)=C1\Nc2ccccc2S1 103908297 PNZPPXJBDAKQBA-QNGOZBTKSA-N 458.593 5.972 50 10 JKGE Clc1ccccc1C[C@@H](Br)c1cc(Br)ccc1Br 104038266 GUCLMKCVWIHCCA-CYBMUJFWSA-N 453.399 6.544 50 10 JKGE Brc1ccc(C[C@@H](Br)c2ccc3cc(Br)ccc3c2)cc1 159702158 SRRFNVMRZIVRGA-GOSISDBHSA-N 469.014 7.044 50 10 JKGE Brc1ccc(Br)c([C@H](Br)C2C3CC4CC(C3)CC2C4)c1 160231397 IQAQQHBAFHDNAU-XPGOTKNASA-N 463.051 6.720 50 10 JKGE CCOC(=O)c1c(Nc2nc(CCl)cs2)nnc(-c2ccccc2)c1-c1ccccc1 170546790 JTQDDHMTBJXUDI-UHFFFAOYSA-N 450.951 5.926 50 10 JKGE CCOc1ccc([C@@H](Br)c2ccc(C)cc2Br)cc1Br 228993020 UGNGQYLIUHJQSH-MRXNPFEDSA-N 463.007 6.403 50 10 JKGE COc1cc(Cl)c([C@@H](Cl)c2ccc(I)c(Cl)c2)cc1Cl 232345088 SZVKZNCYBUTDHU-AWEZNQCLSA-N 461.941 6.588 50 10 JKGE COc1ccccc1C[C@H](Cl)c1cc(Br)ccc1I 234878840 RRHRAGDYTWTKRR-ZDUSSCGKSA-N 451.529 5.585 50 10 JKGE CCCOc1ccc(C=NNC(=O)c2cc(-c3ccc([C@@H](C)CC)cc3)nc3ccccc23)cc1OC 252620472 MESOEDSAZCWLQC-NRFANRHFSA-N 495.623 6.977 50 10 JKGE COc1cc(C=NNC(=O)c2cc3c(ccc4ccccc43)o2)ccc1OCc1ccc(Cl)cc1 252620541 MGDGEZSHVSWTCI-UHFFFAOYSA-N 484.939 6.591 50 10 JKGE CC(=NNC(=O)c1sc2cc(F)ccc2c1Cl)c1ccc(NC(=O)c2cc(C)on2)cc1 252627846 SCQBJSBEZAUMJE-UHFFFAOYSA-N 470.913 5.397 50 10 JKGE COC(=O)CC[C@H](C)[C@@H]1CC[C@@H]2[C@@H]3CC=C4C[C@H]5CC[C@]4(C)[C@@]3(O5)C(=O)[C@H](Br)[C@]12C 253579384 ZOLSFJBCIQJBLX-ZTWAKIQZSA-N 479.455 5.229 50 10 JKGE CCCCCCCCCCCCCC(=O)NCC(=O)NN=Cc1c(O)ccc2ccccc12 254617392 OAUIHMZNLVPMEF-UHFFFAOYSA-N 453.627 5.813 50 10 JKGE CCC[C@H](CC(C)C)[C@@H](Br)c1cc(Br)c(C)cc1Br 308025274 GCUREDWVQOMHGX-MLGOLLRUSA-N 455.072 7.418 50 10 JKGE Fc1cccc(Br)c1[C@@H](Br)c1cc2c(cc1Br)OCC2 308416400 OENUGBUTMNZKPG-HNNXBMFYSA-N 464.954 5.770 50 10 JKGE CCCOc1ccc([C@@H](Br)c2cccc(OCc3ccccc3)c2)cc1Br 312917696 LXCIXDLTZKCAQW-QHCPKHFHSA-N 490.235 7.301 50 10 JKGE Clc1cc([C@@H](Cl)c2cc(Br)cc(Br)c2)c(Cl)c(Cl)c1Cl 404873164 NWMPNWLGUKRLQR-JTQLQIEISA-N 498.256 8.153 50 10 JKGE Cc1cc([C@@H](Cl)c2scc(Br)c2Br)sc1Br 705408055 FNYTXLNTNJZKCT-MRVPVSSYSA-N 465.457 6.734 50 10 JKGE Clc1sccc1COc1c(Br)cc(Br)cc1CBr 710873325 CCYBVAOAMQEEMJ-UHFFFAOYSA-N 475.427 6.400 50 10 JKGE N#C/C(=C\c1cn(Cc2ccccc2Cl)c2ccccc12)C(=O)Nc1cccc(Cl)c1Cl 1083931628 RBBOLJMKSDRYLR-SFQUDFHCSA-N 480.782 7.195 50 10 JKGE CCCCCC(=NNC(=O)COc1ccc(Br)cc1Br)c1ccccc1 1084160894 JTXPPBCRLUFBDY-UHFFFAOYSA-N 482.216 5.691 50 10 JKGE O=C(NN=Cc1ccccc1OCc1ccc(Cl)cc1)c1cc2cc(Br)ccc2o1 1084269608 OMDYAWPGUIAWED-UHFFFAOYSA-N 483.749 6.192 50 10 JKGE Cc1ccccc1NC(=O)/C(C#N)=C\c1cc(Br)ccc1OCc1ccccc1F 1084338718 ZEHLSUYDBKYJDX-UNOMPAQXSA-N 465.322 6.021 50 10 JKGE Cc1cc(C)cc(-n2c(C)cc(C=NNC(=O)COc3ccc(Br)cc3)c2C)c1 1084384364 PKANCBZCUSCSGZ-UHFFFAOYSA-N 454.368 5.003 50 10 JKGE CCCCCCCCOc1ccc(C=NNC(=O)CN(Cc2ccccc2)Cc2ccccc2)cc1 1084621812 KDPVBWLKAHYMCT-UHFFFAOYSA-N 485.672 6.578 50 10 JKGE Clc1ccc(Oc2ccccc2C[P+](c2ccccc2)(c2ccccc2)c2ccccc2)nc1 1615217518 VUORXKMEQWNMND-UHFFFAOYSA-N 480.955 7.021 50 10 JKGE COc1ccccc1C(=O)NN=C1CCCc2oc(C(=O)Oc3ccc(Cl)cc3Cl)c(C)c21 1772745797 HPPWWYJGIASCKG-UHFFFAOYSA-N 487.339 5.593 50 10 JKGE Cc1c(C(=O)NC2CCCCC2)oc2c1C(=NNC(=O)C(c1ccccc1)c1ccccc1)CCC2 1772747404 BITBDTCCIRYNDT-UHFFFAOYSA-N 483.612 5.639 50 10 JKGE CCOc1ccccc1NC(=O)c1oc2c(c1C)C(=NNC(=O)c1cccc3ccccc13)CCC2 1772748086 NIRWQKZEJFRLIM-UHFFFAOYSA-N 481.552 5.863 50 10 JKGE Cc1ccc(C)c(Cn2nc(-c3ccccc3)c3c2OC(N)=C(C#N)[C@H]3c2c(F)cccc2Cl)c1 1865682607 SLBOSTSINIPSDP-QHCPKHFHSA-N 484.962 6.226 50 10 JKGE CCc1nn(Cc2ccc(Cl)cc2)c2c1[C@@H](c1c(OC)ccc3ccccc13)C(C#N)=C(N)O2 1865687979 FSQYPTNNMJMZNB-XMMPIXPASA-N 470.960 5.527 50 10 JKGE CCCCCOc1ccc([C@@H]2C(C#N)=C(N)Oc3c2c(C(F)(F)F)nn3CCC)cc1OCC 1865690889 DLQWMBDNPPURPQ-LJQANCHMSA-N 478.515 5.498 50 10 JKGE CCCOc1c(OC)cccc1[C@@H]1C(C#N)=C(N)Oc2c1c(-c1ccccc1)nn2-c1ccc(C)cc1 1865693882 RKIHPQIOPXAIFC-RUZDIDTESA-N 492.579 5.863 50 10 JKGE COc1cc([C@H]2C(C#N)=C(N)Oc3c2c(C)nn3Cc2ccccc2)ccc1OCc1ccc(C)cc1 1865695362 NVZVUNSKSZDMEI-NDEPHWFRSA-N 492.579 5.354 50 10 JKGE Cc1nn(-c2ccccn2)c2c1[C@@H](c1ccccc1OCc1ccc(Cl)cc1)C(C#N)=C(N)O2 1865701610 ZLCTVKQWKUBWSW-DEOSSOPVSA-N 469.932 5.026 50 10 JKGE C[C@H](C(=O)N[C@@H](CSCc1ccccc1)C(=O)Nc1ccc(SC#N)cc1)C1CCCC1 1867023099 ZMAVCTKPIYKTQH-MBSDFSHPSA-N 467.660 5.443 50 10 JKGE CCCc1nc(Nc2ccc(SC#N)cc2)cc(N2CCO[C@@H](c3cccc(Cl)c3)C2)n1 1868389463 VKMNJSFUWAHSON-OAQYLSRUSA-N 466.010 5.977 50 10 JKGE COc1cc(/C=C/C(O)=C(\C#N)c2nc(-c3ccc(Cl)cc3)cs2)cc(OC)c1OC 1872748153 KWNHRJPXGXLYPC-OWKATGKCSA-N 454.935 5.995 50 10 JKGE CCc1cccc(CC)c1N1C[C@@H](/C(O)=C(\C#N)c2nc(-c3ccc(Cl)cc3)cs2)CC1=O 1872748312 RVYZJSFTOCHDED-GYGWLHPRSA-N 478.017 6.434 50 10 JKGE CC(C)(C)c1ccc(-c2csc(/C(C#N)=C(\O)[C@@H]3CC(=O)N(Cc4ccccc4)C3)n2)cc1 1872751225 XOZOWINWOTVVBP-AYZDXIITSA-N 457.599 5.949 50 10 JKGE COc1ccc(/C=C(C(/O)=C(\C#N)c2nc(-c3c(C)c(C)cc(C)c3C)cs2)\c2ccccc2)cc1 1872754350 OLNVHDMUBFUAQZ-OYBTVGJTSA-N 492.644 8.086 50 10 JKGE CCOc1ccc(-c2csc(/C(C#N)=C(\O)c3cc(Cl)ccc3OC)n2)c(OCC)c1 1872755669 ZFXMOJSXRYGTCY-PYCFMQQDSA-N 456.951 6.219 50 10 JKGE Cc1ccc(C(C)(C)C)cc1-c1csc(/C(C#N)=C(\O)c2cc([N+](=O)[O-])ccc2Cl)n1 1872755965 NYOOOGPYBSALSJ-UZYVYHOESA-N 453.951 6.928 50 10 JKGE COc1cc(/C=C/C(O)=C(\C#N)c2nc(-c3cc(Cl)cc(C)c3OC)cs2)ccc1OC(C)=O 1872756991 LMIOENXDPLAEDP-BZCRLGAHSA-N 496.972 6.221 50 10 JKGE CCc1cccc(C)c1N1C[C@@H](/C(O)=C(\C#N)c2nc(-c3cc(C)c(OC)cc3C)cs2)CC1=O 1872758208 PQVFHKGBRLMFEE-IHSREPSTSA-N 487.625 6.152 50 10 JKGE COc1cc(/C=C(\C#N)c2nc(-c3ccc(F)cc3F)cs2)ccc1OCCc1ccccc1 1872784692 WCYBTKGSIQFFQK-DEDYPNTBSA-N 474.532 6.783 50 10 JKGE CCCOc1ccc(-c2csc(/C(C#N)=C/c3ccc(Cl)c([N+](=O)[O-])c3)n2)cc1OCCC 1872790229 SYQSTQPVKKNNQJ-WOJGMQOQSA-N 483.977 7.013 50 10 JKGE COc1ccc(-c2csc(/C(C#N)=C/c3ccc(OCc4ccccc4Cl)cc3)n2)c(C)c1C 1872792529 DTJAXWQCVGBMDR-HYARGMPZSA-N 487.024 7.732 50 10 JKGE C[C@@H]1OCC[C@@H]1CCOc1c(Br)cc(Br)cc1CBr 1885696764 POXBSZHDCQTDSE-VHSXEESVSA-N 457.000 5.300 50 10 JKGE CC(C)[C@@H](CCl)N(Cc1ccccc1)Cc1ccc(Cl)cc1I 1901945609 CXSGHAFXZNJVJC-LJQANCHMSA-N 462.202 6.210 50 10 JKGE FC1(F)CC[C@@H]2[C@H]([C@@H](Br)c3cc(Br)c(Br)s3)[C@@H]21 1906977689 SFTZIKCTZNGFKY-WYPCVCTJSA-N 450.968 6.000 50 10 JKGE Clc1c(Br)sc(Br)c1[C@H](Br)[C@@H]1C[C@@H]2C[C@@H]2CO1 1908039447 OKHYEZNVIPSRPW-SKHQTKALSA-N 465.432 5.788 50 10 JKGE O=C(c1ccccc1OCc1ccccc1)N(Cc1ccccc1)[C@@H](CBr)C1CC1 1915313138 MPERPPKMFHHYII-DEOSSOPVSA-N 464.403 6.082 50 10 JKGE O=S(=O)(c1cc(Cl)c(Br)s1)N(Cc1ccccc1)C1(CCl)CCC1 1915763176 XZJLWUIMOOKCNU-UHFFFAOYSA-N 469.253 5.516 50 10 JKGE ClCC1(N(Cc2ccccc2)Cc2cccc(Br)c2Br)CCC1 1915765925 RCZQMKPFMXKMGP-UHFFFAOYSA-N 457.637 6.375 50 10 JKGE CN(C[C@@H](Cl)COCc1ccccc1)C(=O)c1cccc(Br)c1Br 1916343164 SJEQKTZNYOJPQA-CQSZACIVSA-N 475.608 5.108 50 10 JKGE Cl[C@@H](c1c(Br)sc(Br)c1Br)[C@H]1CCCc2ccccc21 1924600375 QOXJVXGKANMVOJ-GXFFZTMASA-N 499.493 7.436 50 10 JKGE CCOc1ccc([C@H](Br)c2csnc2Br)cc1Br 1925247837 MUEMXMOCLKMUAL-NSHDSACASA-N 455.997 5.551 50 10 JKGE Clc1sc(Br)c(Cl)c1[C@@H](Br)c1cc2c(s1)CCSC2 1925587803 BOOXEXXWQCLQCD-VIFPVBQESA-N 479.111 7.153 50 10 JKGE Clc1cc([C@@H](Br)c2csc(Br)c2Br)c(Cl)s1 1937735169 WUWMAGBKVKEPGW-ZCFIWIBFSA-N 485.875 7.126 50 10 JKGE CCc1cc(Br)c([C@@H](Br)c2cc(Br)sc2C)s1 1946647274 DFGPSMOJOMOGHE-NSHDSACASA-N 459.066 6.690 50 10 JKGE O=C(N[C@H](CCCC[C@H]1CCSS1)C(=O)O)OCC1c2ccccc2-c2ccccc21 1951380405 WQUARFWKNVESRO-KSFYIVLOSA-N 457.617 5.692 50 10 JKGE CC1(F)CC([C@@H](Br)c2c(Br)sc(Br)c2Cl)C1 1986899240 HTLQNDWERABKHB-DJQPPXJLSA-N 455.412 6.501 50 10 JKGE Brc1ccc([C@@H](Br)c2ncsc2Br)c(Br)c1 1994122693 PGYKIKIPQSLOCI-MRVPVSSYSA-N 490.840 5.915 50 10 JKGE Clc1c(Br)sc(Br)c1[C@H](Br)C1(CC2CC2)CC1 2015726498 UILZMLIETBGYMA-VIFPVBQESA-N 463.460 6.943 50 10 JKGE Cc1c(Br)ccc([C@H](Br)c2ccc(Br)o2)c1Br 2024296005 XHASFMOTWONNGS-LBPRGKRZSA-N 487.811 6.360 50 10 JKGE C[C@@H](Sc1nnc(-c2sc3ccccc3c2Cl)o1)C(=O)C(C#N)=C1Nc2ccccc2S1 2040426417 SRNKQBPWARYXKY-LLVKDONJSA-N 497.026 6.607 50 10 JKGE CC[C@@H]1CN(C(=O)OCc2ccccc2)[C@H](CC)CN1CC(CC)(CC)CBr 2044626844 LXYWLSYPCQYYNE-NHCUHLMSSA-N 453.465 5.699 50 10 JKGE Clc1sc([C@H](Br)c2cc(C3CC3)c(Br)s2)cc1Br 2052442682 IOBPGYWEVQQRHP-SNVBAGLBSA-N 491.495 7.350 50 10 JKGE CO[C@@H]1C[C@@H]([C@@H](Br)c2sc(Br)cc2Br)C12CCC2 2070182702 UMPDRRQTNVSMFA-JVUFJMBOSA-N 459.041 5.914 50 10 JKGE Fc1cc(C(F)(F)F)cc(-n2nc(CBr)c(Br)c2C(F)(F)F)n1 2078912855 ZSLANRAEQGAJHZ-UHFFFAOYSA-N 470.968 5.101 50 10 JKGE Cc1cc(Br)c(C)c([C@H](Br)[C@H](F)C(F)(F)F)c1Br 2081072714 XIQWRBLSTGPRCA-UWVGGRQHSA-N 456.897 6.165 50 10 JKGE Cc1ccc(Br)cc1[C@H](Cl)c1ccc(Br)cc1Br 2083329633 GDJNBHNHIVVYID-CQSZACIVSA-N 453.399 6.611 50 10 JKGE CCCOc1ccc([C@H](Cl)c2cscc2OCc2ccccc2)cc1Br 2100090512 ZEEWAQOYTRFPQP-NRFANRHFSA-N 451.813 7.207 50 10 JKGE Clc1sc(Br)c(Cl)c1[C@H](Br)c1cc2c(s1)CCOC2 2103246708 NZURDLOQFXRRQX-SECBINFHSA-N 463.043 6.436 50 10 JKGE Fc1cc(Br)cc(Oc2c(F)cccc2Br)c1CBr 2114265986 LVVGBRWRGPSIFO-UHFFFAOYSA-N 456.906 6.177 50 10 JKGE C[C@H]1Cc2cc([C@H](Br)c3cc(Br)cs3)cc(Br)c2O1 2115939500 FAJWWAUSEWKHIT-CPFSXVBKSA-N 467.020 6.081 50 10 JKGE O=C(c1cc(Br)c(Br)s1)N1CC2(CCC(Br)CC2)C1 2124671414 QDUKJLOENXZCOD-UHFFFAOYSA-N 472.040 5.053 50 10 JKGE Cc1cc(Cl)c([C@@H](Cl)c2ccc(Br)cc2I)cc1C 2142285985 AIHYIFDLBTZYEE-HNNXBMFYSA-N 469.975 6.652 50 10 JKGE C[C@](CI)(OC1CCC(F)(F)CC1)c1ccccc1Br 2143497337 FPWJFJCWPVQLIA-CQSZACIVSA-N 459.112 5.694 50 10 JKGE FC1(F)CC12CC(COc1c(Br)cc(Br)cc1CBr)C2 2154263039 FZEPLSKDAXRNGL-UHFFFAOYSA-N 474.965 5.921 50 10 JKGE CO[C@](C)(COCc1ccccc1)Cn1c(CCl)nc2cc(Br)c(Cl)cc21 2159871906 NVLQTSVNIOVUDZ-FQEVSTJZSA-N 472.210 5.813 50 10 JKGE Clc1ccc(Br)cc1CC(CBr)(CBr)C1CCOCC1 2166826898 RLAPUEUSZNHDLL-UHFFFAOYSA-N 489.473 5.848 50 10 JKGE Clc1ccc(I)c(CN2CCC[C@@H]3CC[C@H](Br)C[C@H]32)c1 2167009936 IXEGJSGWZFXMKI-PVXIVEMSSA-N 468.604 5.473 50 10 JKGE Cc1c(Br)sc([C@H](Cl)C2(C(F)(F)F)CCCCC2)c1Br 2173212339 KJSSEHHGHZJOLI-JTQLQIEISA-N 454.577 7.374 50 10 JKGE COc1cc(C)c([C@H](Br)c2ccc(C)cc2Br)cc1Br 2198736452 FCIHHUAXTHNKTC-MRXNPFEDSA-N 463.007 6.321 50 10 JKGE COc1cc(Cl)c([C@H](Br)c2c(F)cccc2Br)cc1Br 2202354094 VZTCKSPYZMNBAT-AWEZNQCLSA-N 487.388 6.497 50 10 JKGE Cc1cc(Br)c([C@H](Br)C2C[C@H]3COC[C@H](C2)C3)cc1Br 2206755556 OYSOWYRWXZWZNF-XMZIXOGTSA-N 467.039 6.019 50 10 JKGE CCOc1ccc([C@H](Cl)c2ccc(I)c(C)c2)c(Br)c1 2207106663 YODSWVHUHABLAF-MRXNPFEDSA-N 465.556 6.089 50 10 JKGE CCCCCCCCCCO[C@H]1CN(C(=O)OC(C)(C)C)C[C@H]1I 2216921047 LCXWYWFKPYHVFX-SJORKVTESA-N 453.405 5.567 50 10 JKGE CCCCCCCCCOC1(CI)CCN(C(=O)OC(C)(C)C)CC1 2223270867 WFZGTZBDYKACRX-UHFFFAOYSA-N 467.432 5.958 50 10 JKGE Clc1cc(Br)c([C@H](Cl)c2ccccc2Br)c(Cl)c1Cl 2224316896 IPLXSWQRPUDGDH-LLVKDONJSA-N 463.811 7.500 50 10 JKGE CC(C)(CC(F)(F)F)[C@@H](Br)c1cc(Br)c(Br)cc1F 2225616097 MXAJQEIHPLNJHG-JTQLQIEISA-N 470.924 6.765 50 10 JKGE C[C@H]1C[C@@H]([C@H](Br)c2cc(Br)c(Br)cc2F)C[C@@H](C)O1 2225634208 NLIBKXFQGMTBIG-HZFYHNGZSA-N 458.991 5.990 50 10 JKGE FC12CCC([C@H](Br)c3c(Br)cc(Cl)c(Cl)c3Cl)(CC1)C2 2232515404 YURVPPSZNVGDKV-IYXRBSQSSA-N 465.415 7.518 50 10 JKGE C[C@H]1O[C@@]2([C@@H](Br)c3c(Br)cc(Cl)c(Cl)c3Cl)CC[C@H]1C2 2232518032 YXSLBKCXWOJVAW-ZNNYPSHMSA-N 463.424 6.803 50 10 JKGE CS(=O)(=O)c1sccc1[C@H](Cl)c1cc(Br)c(Br)cc1F 2233992330 MXPVZMCEAORMTP-NSHDSACASA-N 462.587 5.144 50 10 JKGE COc1cc([C@@H](Br)c2cc(Br)c(C)s2)c(OC)cc1Br 2234475956 UXVPQTQIUVNDBL-CQSZACIVSA-N 485.035 6.083 50 10 JKGE Cc1nc([C@@H](Br)c2sc(C)c(C)c2Br)c(Br)s1 2246414487 UHOPDEJGUBUPHZ-MRVPVSSYSA-N 460.054 6.139 50 10 JKGE Fc1cc(C[C@H](Br)c2cc(Br)c(Br)s2)ccc1Cl 2263472102 WDYXUMLWZCGDBH-ZETCQYMHSA-N 477.418 6.744 50 10 JKGE Cc1csc([C@H](Cl)Cc2cc(Br)cc(Br)c2)c1Br 2263508855 GFJJKASRDGUBLJ-LLVKDONJSA-N 473.455 6.867 50 10 JKGE Cc1cc(Cl)c(Br)cc1[C@H](Br)c1cccc(Cl)c1Br 2267983101 HCTPLKMCQFFWHC-CYBMUJFWSA-N 487.844 7.311 50 10 JKGE COc1ccc([C@@H](Cl)c2c(C)cccc2Br)cc1I 2269555246 VZWCLQBCGMOANH-OAHLLOKOSA-N 451.529 5.699 50 10 JKGE COc1cc(C)c(Br)c(C)c1[C@@H](Br)c1coc(Br)c1 2269604623 OCHDLNRWENWBOL-AWEZNQCLSA-N 452.968 5.914 50 10 JKGE Cc1cc([C@H](Cl)Cc2cc(Br)cc(Br)c2)ccc1Br 2277962486 IDOMMAVSJPRQRW-OAHLLOKOSA-N 467.426 6.805 50 10 JKGE COc1c(Br)cc(Cl)c(C)c1[C@H](Cl)c1sccc1I 2277988947 HDLVJSYNSINWGM-NSHDSACASA-N 492.003 6.414 50 10 JKGE BrCc1cc(Br)c(OCC2CC3(CCCC3)C2)c(Br)c1 2280009461 KOBPJEQTNOKUNU-UHFFFAOYSA-N 467.039 6.456 50 10 JKGE CN(Cc1cccc(I)c1)c1c(CCl)ccc(Br)c1Cl 2280277961 XQFYVTXYTXVCGG-UHFFFAOYSA-N 484.990 6.082 50 10 JKGE COc1c([C@H](Br)c2cc(Cl)c(Cl)c(Cl)c2Cl)csc1Cl 2284305624 SFJAOGHCHUQGHC-SSDOTTSWSA-N 455.415 7.508 50 10 JKGE Cc1cc(Cl)c([C@@H](Br)c2cc(Br)c(F)cc2Cl)cc1Cl 2285985956 ONAILEMDLYLLMX-AWEZNQCLSA-N 461.383 7.341 50 10 JKGE Fc1cc(Br)c(F)c(Br)c1[C@H](Br)C1C[C@@H]2CC[C@H](C1)O2 2288360566 XPMUALUEIQBWLY-IPQYHECASA-N 474.965 5.883 50 10 JKGE CS(=O)(=O)c1cscc1[C@@H](Br)Cc1ccc(Br)cc1Cl 2288528705 HHCFXNOTNMCJNH-NSHDSACASA-N 458.624 5.246 50 10 JKGE CC(C=NNC(=O)CSc1nnc(-c2ccc(C)cc2)n1-c1ccc(C)cc1)=Cc1ccco1 2293188317 JJKBSCOZJXRVDG-UHFFFAOYSA-N 471.586 5.442 50 10 JKGE C[C@@H]1C[C@H]([C@@H](Br)c2cc(Br)ccc2OCc2ccccc2)[C@@H](C)O1 2299500612 HHDXLPMCPPUNEP-MJPMAJQWSA-N 454.202 6.278 50 10 JKGE CCOc1ccc(NC(=O)C(C#N)=Cc2ccc(-c3ccc(Br)cc3CC)o2)cc1 2313553224 UXAGZBIVYLLYKR-UHFFFAOYSA-N 465.347 6.216 50 10 JKGE COc1cc(C=C(C#N)C(=O)Nc2ccccc2C)ccc1OCc1ccc(Br)cc1 2313667499 NWWCPXROTRMWLF-UHFFFAOYSA-N 477.358 5.891 50 10 JKGE CCOc1cc(C=C(C#N)C(=O)NC2CCCC2)ccc1OCc1ccc(Br)cc1 2313670689 PFVXCPSZZLQSRE-UHFFFAOYSA-N 469.379 5.393 50 10 JKGE COc1cccc2cc(-c3nn(-c4ccccc4)cc3C=C(C#N)C(=O)N3CCCCC3)oc12 2314450523 AWDDORWOYCZAEF-UHFFFAOYSA-N 452.514 5.214 50 10 JKGE CC1(C)C[C@@H](C[C@H](Br)c2cc(Br)ccc2OCc2ccccc2)CO1 2314451109 BXIAIZWXQFRQKV-APWZRJJASA-N 468.229 6.669 50 10 JKGE CCCCOc1ccc(C=C(C#N)c2nc(-c3cc4cc(Cl)ccc4oc3=O)cs2)cc1OC 2314487237 FYGIVLUZZKETKZ-UHFFFAOYSA-N 492.984 6.822 50 10 JKGE Brc1cc(OCc2ccccc2)ccc1[C@@H](Br)[C@H]1CC2(CCC2)CO1 2314500031 JDTWEAQHOMKASJ-WOJBJXKFSA-N 466.213 6.423 50 10 JKGE CC(=O)c1ccc(-c2ccc(C=C3C(=O)N(Cc4ccc(F)cc4)C(=O)C(C#N)=C3C)o2)cc1 2314620768 URKCJBOWEATDFA-UHFFFAOYSA-N 454.457 5.081 50 10 JKGE CCOC(=O)C(C#N)=Cc1cccc(OC(=O)C=Cc2ccc(OCc3ccc(C)cc3)cc2)c1 2314760336 LUUXCCBPBBMSGY-UHFFFAOYSA-N 467.521 5.663 50 10 JKGE C[C@H]([C@H](Br)c1c(Cl)cc(Br)c(F)c1Br)C(F)(F)F 2315453036 IZMQNRWVDBGBHH-NFNCENRGSA-N 477.315 6.639 50 10 JKGE CCc1cc(Br)c([C@@H](Br)c2c(Br)nc(C)n2C)s1 2315599239 UKZAFVNUCJDOTK-VIFPVBQESA-N 457.029 5.362 50 10 JKGE Fc1ccc(Cl)c(F)c1[C@@H](Br)c1sc(Cl)cc1I 2316597407 RCQVBZCSNFMSOU-SECBINFHSA-N 483.930 6.422 50 10 JKGE CC[C@@H]1C[C@@H]1C[C@@H](Br)c1c(Cl)cc(Br)c(F)c1Br 2320399087 QGZYAZPZBYHXAB-BWZBUEFSSA-N 463.410 6.876 50 10 JKGE C[C@H](c1ccncc1F)[C@H](Br)c1cc(Br)c(Br)s1 2321453334 SGTYZBLUANGYNZ-KBUNVGBDSA-N 457.988 6.047 50 10 JKGE CCn1c(C(C#N)=Cc2ccc(OCc3ccc(Cl)cc3Cl)c(OC)c2)nc2ccccc21 2331071898 YNERGWICMMPRIM-UHFFFAOYSA-N 478.379 7.015 50 10 JKGE COc1ccc(OC)c(C=CC(O)=C(C#N)c2nc(-c3ccc(Br)cc3)cs2)c1 2331260297 UNMIXXCSYKAAJI-UHFFFAOYSA-N 469.360 6.096 50 10 JKGE CCCOc1ccc(-c2csc(C(C#N)=C(O)c3ccc([N+](=O)[O-])cc3)n2)cc1OCCC 2331293312 VHLKQIWCTFEUGC-UHFFFAOYSA-N 465.531 6.246 50 10 JKGE CCCOc1ccc(-c2csc(C(C#N)=C(O)COc3ccccc3OCC)n2)cc1OCCC 2331293442 LXLGQJDFPREZTB-UHFFFAOYSA-N 494.613 6.658 50 10 JKGE COc1ccc(-c2csc(C(C#N)=C(O)[C@@H](CC(C)C)N3C(=O)c4ccccc4C3=O)n2)cc1F 2331336999 PISUDNFOMVHJDL-OAQYLSRUSA-N 491.544 5.461 50 10 JKGE COc1cc(Cl)c(C)cc1-c1csc(C(C#N)=C(O)c2ccc(-c3ccccc3)cc2)n1 2331389182 BATGITINJPUYPB-UHFFFAOYSA-N 458.970 7.397 50 10 JKGE Cc1ccc(C(C)(C)C)cc1-c1csc(C(C#N)=C(O)[C@H]2CC(=O)N([C@H](C)c3ccccc3)C2)n1 2331396319 LPROOTFOEZQQEM-CTNGQTDRSA-N 485.653 6.818 50 10 JKGE COc1ccc(OC)c(C=CC(O)=C(C#N)c2nc(-c3ccc(OC)c(Cl)c3)cs2)c1 2331398410 RGZINGIWHLETCT-UHFFFAOYSA-N 454.935 5.995 50 10 JKGE COc1c(Cl)cc(Cl)cc1-c1csc(C(C#N)=Cc2ccc(Cl)c(Cl)c2)n1 2331467690 UTSFMEPIOQVDMN-UHFFFAOYSA-N 456.181 7.496 50 10 JKGE CCC1(CC)[C@@H](Br)C[C@H]1Oc1cc(Cl)c(C)cc1I 2336544099 RBIPPAYZLLPZMK-UONOGXRCSA-N 457.577 5.974 50 10 JKGE CC1(C)CCC(CBr)(Cc2ccc(Cl)c(I)c2)CC1 2337228526 XXVHQMCOFCAWIH-UHFFFAOYSA-N 455.605 6.469 50 10 JKGE CC1(C)CC([C@@H](Br)c2sc(Cl)cc2I)CC(C)(C)C1 2338767094 CLGQHMMCWJMGAV-GFCCVEGCSA-N 475.661 7.295 50 10 JKGE COc1c(Br)cc(C)c([C@H](Br)CC2CCCC2)c1Br 2339687913 BEDGUAPOVQIBIR-LLVKDONJSA-N 455.028 6.545 50 10 JKGE Clc1ccc(CN2[C@H]3CCC[C@@H](Br)[C@H]2CC3)c(I)c1 2341032230 JOEPYYHORYKKTE-GZBFAFLISA-N 454.577 5.225 50 10 JKGE Cc1cc(Br)c([C@H](Br)C[C@H]2CC[C@H]2C2CC2)cc1Br 2342184491 FPJICYPCXNPPGC-BFQNTYOBSA-N 451.040 6.782 50 10 JKGE COc1ccc([C@H](Br)c2cc(F)c(F)cc2F)cc1I 2361241392 DJCJZYWZCBLHOE-AWEZNQCLSA-N 457.027 5.201 50 10 JKGE Fc1c(Br)cc(Cl)c([C@H](Cl)[C@@H]2CCC[C@H]2C(F)F)c1Br 2362226751 ZCCJBOZRJWXFKI-WHHMAUIRSA-N 454.939 6.965 50 10 JKGE CC1(C)COC[C@H]1CC(CBr)(CBr)c1ccc(Br)cc1 2364480917 XGWLJFRHXSBBNI-CYBMUJFWSA-N 469.055 5.539 50 10 JKGE CCC[C@@H](CC(C)C)[C@@H](Br)c1c(C)cc(Br)c(F)c1Br 2365184794 GEQAMSOFTKQKRL-SMDDNHRTSA-N 473.062 7.558 50 10 JKGE Clc1sc([C@H](Cl)c2cc3c(cc2Br)OCCC3)cc1Br 2369633756 NYHWXGUFMWDRMG-CYBMUJFWSA-N 457.014 6.580 50 10 JKGE Clc1ccc(I)cc1C[C@]1(CBr)C[C@H]2C=C[C@H]1CCC2 2380445913 CDNYTCWDOQMJMU-MRRJBJDNSA-N 465.600 6.245 50 10 JKGE CC(C)(C)OC(=O)NN(Cc1ccccc1)[C@H](Cc1ccc(OCc2ccccc2)cc1)C(=O)O 4262355 IGHHIVXPMOIGMP-RUZDIDTESA-N 476.573 5.203 50 10 JKGE COc1cc(/C=C(/C#N)C(=O)Nc2ccc([N+](=O)[O-])cc2Cl)ccc1OCc1ccccc1 6906954 ANAKIYNJAADPAS-WQRHYEAKSA-N 463.877 5.381 50 10 JKGE CSc1cccc(N/C(SCc2ccccc2Cl)=C(/C#N)S(=O)(=O)c2ccccc2)c1 20325557 XVISYUFHDLYOIY-GHVJWSGMSA-N 487.071 6.574 50 10 JKGE COc1ccc(/C=C(/C#N)c2nc3ccccc3s2)cc1OC(=O)c1cccc2ccccc12 33424661 IOKXBDGWRULHKR-HKWRFOASSA-N 462.530 6.741 50 10 JKGE Cc1cc([N+](=O)[O-])ccc1-n1c(C)cc(/C=N/NC(=O)c2cc3cc(Br)ccc3o2)c1C 33958102 IPRXOBWOZWCQBL-BRJLIKDPSA-N 495.333 5.583 50 10 JKGE CCCCSc1ccc(-c2nn(-c3ccccc3)cc2/C=C(/C#N)C(=O)N2CCCCC2)cc1 35445926 XNVHWDKXSAWDOC-NMWGTECJSA-N 470.642 6.351 50 10 JKGE CCOC(=O)c1c(NC(=O)/C(C#N)=C\c2ccc(-c3ccc(C(=O)O)cc3)o2)sc(C)c1C 35517376 LXDAQYNGMPGFCI-BOPFTXTBSA-N 464.499 5.046 50 10 JKGE Cc1ccc(-c2nc(OC(C)C)nn2-c2ccc(NC(=O)[C@@H](Cl)c3ccccc3)cc2)cc1 35777710 LBXGFMXPCGNCSH-QHCPKHFHSA-N 460.965 5.949 50 10 JKGE N#CC1=C(N)Oc2cc(OC(=O)c3cccc([N+](=O)[O-])c3)ccc2[C@H]1c1ccc(Cl)cc1Cl 38655641 VJCNXJVAAROKAQ-OAQYLSRUSA-N 482.279 5.339 50 10 JKGE N#CC1=C(N)Oc2cc(OC(=O)Cc3cccc4ccccc34)ccc2[C@@H]1c1cccc(F)c1 38678142 RHTKAQMUBMZHBA-MHZLTWQESA-N 450.469 5.345 50 10 JKGE CCCCCOc1ccccc1[C@@H]1C(C#N)=C(N)Oc2cc(OC(=O)c3ccccc3OC)ccc21 38686009 DCBXCLGYSHMTTF-MHZLTWQESA-N 484.552 5.702 50 10 JKGE Cc1ccc2c(C)c(C(=O)Oc3ccc4c(c3)OC(N)=C(C#N)[C@H]4c3ccc(F)cc3)oc2c1 38688053 ZRUJPZITMSSYCL-DEOSSOPVSA-N 454.457 5.626 50 10 JKGE N#C/C(=C\c1cn(-c2ccccc2)nc1-c1cccc2ccccc12)c1nc(-c2ccco2)cs1 39842867 DNUIYEBIGCCYJF-LTGZKZEYSA-N 470.557 7.473 50 10 JKGE N#C/C(=C\c1ccc(-c2ccccc2Cl)o1)c1nc(-c2cc3ccccc3oc2=O)cs1 39885045 RCUMFWGTGKFNFV-LFIBNONCSA-N 456.910 6.894 50 10 JKGE Cc1cccc(C(=O)N/N=C2\CCCc3oc(C(=O)N4c5ccc(F)cc5CC[C@H]4C)c(C)c32)c1 40811327 RTBVRJOUSGUNAK-XKXFLAFKSA-N 473.548 5.487 50 10 JKGE COc1ccc(Cl)cc1NC(=O)c1oc2c(c1C)/C(=N/NC(=O)c1ccccc1C)CCC2 40811460 GDJPUTPOKBJPNK-MTDXEUNCSA-N 465.937 5.281 50 10 JKGE CC(C)(C)c1ccccc1OCC(=O)N/N=C/c1ccc(OCc2ccccc2Cl)cc1 40910632 HUEMQXKNFXUULX-LQKURTRISA-N 450.966 5.746 50 10 JKGE CCOc1ccc([C@H](O)CCC(=O)N/N=C\c2ccc(OCc3ccccc3Cl)c(OC)c2)cc1 58893978 GEXSOKNDUAQADM-WRIMGEDOSA-N 496.991 5.290 50 10 JKGE CC(C)(C)c1ccc(OCC(=O)N/N=C/c2ccc(-c3ccc(Br)cc3)o2)cc1 97024061 AKTXFMXKKXRPTN-AFUMVMLFSA-N 455.352 5.536 50 10 JKGE CC1CCC(NC(=O)[C@@H](c2ccc(Cl)cc2)N(Cc2ccc3c(c2)OCO3)C(=O)CCl)CC1 97914743 JYNXFNQNTQZJHG-XWKHCGOCSA-N 491.415 5.072 50 10 JKGE CCOc1ccc(NC(=O)/C(C#N)=C\c2c(Oc3ccccc3C)nc3c(C)cccn3c2=O)cc1 102683407 QKFBQMFYKQHNMR-SILNSSARSA-N 480.524 5.048 50 10 JKGE Clc1ccc(Br)cc1[C@H](Br)Cc1cccc(Br)c1 104175504 ZIDWDEDKFRBOGC-CYBMUJFWSA-N 453.399 6.544 50 10 JKGE COc1c(Br)cc(Cl)cc1[C@H](Br)c1ccc(Br)cc1F 109836416 DLOPYUXOKSINKT-CYBMUJFWSA-N 487.388 6.497 50 10 JKGE CC(C)c1ccc([C@H](Br)c2csc(I)c2)c(C(C)C)c1 124415509 PYJHFYRSBFQOTA-QGZVFWFLSA-N 463.222 7.084 50 10 JKGE COc1ccc([C@@H](Cl)c2cc(Br)c(Br)s2)c(Br)c1 128855704 QHTCBARJUPPVNX-LLVKDONJSA-N 475.427 6.372 50 10 JKGE O=C(N[C@@H]1CCCCC[C@H]1Br)c1cc(Br)c(Br)s1 136177880 BVOZSSJTXOHVQZ-VXNVDRBHSA-N 460.029 5.099 50 10 JKGE C[C@@H](Cl)c1nc2cc(F)c(Br)cc2n1Cc1sccc1Br 158669646 YKSPTUZPGVGCHI-SSDOTTSWSA-N 452.574 6.110 50 10 JKGE CC(C)[Si](Oc1ccc(C(=O)[C@@H](C)N2CCC(O)(c3ccccc3)CC2)cc1)(C(C)C)C(C)C 195954030 UNRHYKUJRVFZKJ-XMMPIXPASA-N 481.753 6.796 50 10 JKGE CCOC(=O)/C(C#N)=C\c1ccc(OC(=O)/C=C\c2ccc(OCc3ccccc3)cc2)c(OC)c1 206269813 ANKYRHYQXVMIKO-DNZPVPSLSA-N 483.520 5.363 50 10 JKGE CCOC(=O)c1c(NC(=O)/C(C#N)=C\c2ccc(OC)c(OC(C)C)c2)sc2c1CC[C@H](C)C2 209405430 ITMMUEYPLNYXFW-JIHKLPAASA-N 482.602 5.391 50 10 JKGE COc1ccc(N/C=C(/C#N)C(=O)N2CCN(C(c3ccccc3)c3ccccc3)CC2)cc1Cl 216487253 MCEMQNVQWDFBAW-ATJXCDBQSA-N 487.003 5.102 50 10 JKGE Brc1cc(Br)cc([C@@H](Br)Cc2nc3ccccc3o2)c1 232478088 TUBGYHYWYJYLLF-LBPRGKRZSA-N 459.963 6.032 50 10 JKGE O=[N+]([O-])c1cccc(Oc2ccc(CBr)c(Br)c2)c1Br 232487094 YUADBGDHHVIUIU-UHFFFAOYSA-N 465.923 5.807 50 10 JKGE CC(=NNC(=O)c1sc2ccccc2c1Cl)c1ccc(NC(=O)c2ccc(C)o2)cc1 252642521 ZMTMRYYYDKHDHZ-UHFFFAOYSA-N 451.935 5.862 50 10 JKGE Cc1cc(C(=O)NN=Cc2cc(Cl)ccc2OCc2cccc(C(F)(F)F)c2)cs1 254392289 VHEJQECJSDTIFS-UHFFFAOYSA-N 452.885 6.072 50 10 JKGE CCC(C)(C)c1ccc(OCCCC(=O)NN=Cc2ccccc2[N+](=O)[O-])c(C(C)(C)CC)c1 254447563 AUJGNUHPBPURRC-UHFFFAOYSA-N 467.610 6.279 50 10 JKGE CCOc1ccc(C(=O)Oc2ccc(C=NNC(=O)c3cccc4ccccc34)cc2OCC)cc1 254594141 YXVAUTCWKUTFRA-UHFFFAOYSA-N 482.536 5.620 50 10 JKGE CCCCCC[C@H](CC1(CCCCCC[C@H](C)B(O)O)c2ccccc2-c2ccccc21)B(O)O 256078360 DMMCBMQLLUBNLM-BJKOFHAPSA-N 478.291 6.360 50 10 JKGE Cc1sc(Br)cc1[C@H](Br)c1sccc1I 307357154 WCXSYYKPBMKXNR-VIFPVBQESA-N 478.012 5.969 50 10 JKGE Cc1cccc(Br)c1[C@H](Br)c1cc(Cl)c(Br)s1 310338369 NIDGSKVBWXVSDU-LLVKDONJSA-N 459.428 6.719 50 10 JKGE Fc1cc([C@@H](Br)c2scc(C(F)(F)F)c2Br)ccc1Br 312784242 GIHFRIUFWYGTQO-SECBINFHSA-N 496.943 6.915 50 10 JKGE BrCc1cccc(OCc2ccc(I)cc2)c1Br 315626029 UDNXDVDGZCXBKP-UHFFFAOYSA-N 481.953 5.528 50 10 JKGE Fc1cccc(-n2c(CCl)nc3cc(Br)ccc32)c1I 380461518 ROLBWDFYCSKFFD-UHFFFAOYSA-N 465.491 5.271 50 10 JKGE O=C(N[C@@H](CBr)C1CCCCC1)c1cc(Br)c(Br)s1 386051966 VQHUUCMWNKJTTO-JTQLQIEISA-N 474.056 5.347 50 10 JKGE ClCc1nc2cc(Cl)c(Cl)cc2n1CCCN(Cc1ccccc1)Cc1ccccc1 390672871 UDQCKFPEGWZQHP-UHFFFAOYSA-N 472.847 7.174 50 10 JKGE Brc1cscc1[C@H](Br)c1cc2c(cc1Br)OCC2 404801316 KBYIXVFYIBUCKH-CYBMUJFWSA-N 452.993 5.692 50 10 JKGE Clc1ccc(I)c(C[C@H](CBr)c2ccccc2Cl)c1 405507070 DONDCDFFFZKSTD-LLVKDONJSA-N 469.975 6.319 50 10 JKGE CC(C)(C)OC(=O)NCCN1CCOCC[C@H]1c1ccccc1CCO[Si](C)(C)C(C)(C)C 616599318 ZAIWLJYCXRENDS-QHCPKHFHSA-N 478.750 5.539 50 10 JKGE Cc1nc(CC(CBr)(CBr)c2ccc(Br)cc2)c(C)s1 692517292 CBKPLKLFDZRZCB-UHFFFAOYSA-N 482.079 5.793 50 10 JKGE CCC(CC)[C@H](Br)CNC(=O)c1scc(Br)c1Br 705409899 PBAYVIQINLSVTA-MRVPVSSYSA-N 462.045 5.203 50 10 JKGE CCOc1cccc2c1nc(CCl)n2CC1(N(Cc2ccccc2)Cc2ccccc2)COC1 705605722 SBNYSEITCGCBDQ-UHFFFAOYSA-N 476.020 5.645 50 10 JKGE Clc1ccc([C@@H](Cl)c2ccc(I)c(Br)c2)c(Cl)c1 721593742 LJICYRHBYKBWPB-ZDUSSCGKSA-N 476.366 6.689 50 10 JKGE CCCOc1ccc(C(=O)NN=Cc2ccccc2OCc2ccc(Br)cc2)cc1 725441230 SSIOUUGRIZPCSN-UHFFFAOYSA-N 467.363 5.581 50 10 JKGE CCOc1cc(C=NNC(=O)CSCc2ccc(OC)cc2)ccc1OCc1ccc(Cl)cc1 1084267632 HAEZPRQJQXAVRQ-UHFFFAOYSA-N 499.032 5.710 50 10 JKGE COC(=O)c1ccc([C@@H]2Nc3ccc(C(C)=NNC(=O)COc4ccccc4)cc3[C@@H]3C=CC[C@@H]32)cc1 1084310027 MYGHFHPDFQHGHC-AHPZMPFVSA-N 495.579 5.219 50 10 JKGE COc1ccc(/C(C#N)=C/c2ccc(OC(=O)/C=C/c3ccc(C(C)C)cc3)c(OC)c2)cc1OC 1615066149 WEGDUSKUHBDUOY-BYSZCFSISA-N 483.564 6.519 50 10 JKGE COc1cc(C=NNC(=O)COc2cccc(Cl)c2)ccc1OCc1c(Cl)cccc1Cl 1772754508 XFJKJBOCLTYDCV-UHFFFAOYSA-N 493.774 5.764 50 10 JKGE Cc1nn(Cc2c(F)cccc2Cl)c2c1[C@H](c1ccc(C(C)(C)C)cc1)C(C#N)=C(N)O2 1865682242 JSINRRXUJHVBAA-JOCHJYFZSA-N 450.945 5.548 50 10 JKGE CCCCOc1ccc([C@H]2C(C#N)=C(N)Oc3c2c(CCC)nn3-c2ccccn2)cc1OCC 1865687388 QCKZWNUGQBEWFY-DEOSSOPVSA-N 473.577 5.016 50 10 JKGE COc1ccc(-n2nc(-c3ccccc3)c3c2OC(N)=C(C#N)[C@@H]3c2cn(C)c3ccccc23)cc1 1865699046 JNEDJBOAWUQSOA-RUZDIDTESA-N 473.536 5.258 50 10 JKGE CCN(CC)c1ccc([C@H]2C(C#N)=C(N)Oc3c2c(C(F)(F)F)nn3-c2ccc(Cl)cc2)cc1 1865702292 RUFRFSJQAVBCAN-IBGZPJMESA-N 487.913 5.609 50 10 JKGE CCCc1nn(CC(C)C)c2c1[C@H](c1ccccc1OCc1ccccc1Cl)C(C#N)=C(N)O2 1865703399 VDMBAHFOHXFOCO-XMMPIXPASA-N 477.008 5.942 50 10 JKGE CCOC(=O)c1c(-c2ccc(OC)cc2)csc1NC(=O)/C(C#N)=C/c1cccc(F)c1 1866131463 WMHCNIIYCPRSTE-GZTJUZNOSA-N 450.491 5.285 50 10 JKGE CCCc1nc(Nc2ccc(SC#N)cc2)cc(N2CCc3cc4ccc(C)cc4nc32)n1 1868388548 JSFVSFHJVXTLKM-UHFFFAOYSA-N 452.587 6.297 50 10 JKGE CCCc1nc(Nc2ccc(SC#N)cc2)cc(N2CCC[C@@H]2c2nc3c([nH]2)CCCC3)n1 1868389501 WNJUDMLBJQKIEJ-OAQYLSRUSA-N 459.623 5.689 50 10 JKGE CCOc1ccc(-c2csc(/C(C#N)=C(\O)[C@@H]([C@@H](C)CC)N3C(=O)c4ccccc4C3=O)n2)cc1 1872747551 IEWKNCSPNGVSNK-MQBSAJFPSA-N 487.581 5.712 50 10 JKGE COc1cc(OC)c(-c2csc(/C(C#N)=C(\O)COc3ccc(Cl)c(C)c3)n2)cc1Cl 1872756625 SSIWSRVYEOCZDT-CYVLTUHYSA-N 477.369 6.314 50 10 JKGE Cc1cc(C)c(-c2csc(/C(C#N)=C(\O)[C@@H]3CC(=O)N([C@@H](C)c4ccccc4)C3)n2)c(C)c1 1872756823 CIVQHXGATFAPFS-BYKCZADVSA-N 457.599 6.138 50 10 JKGE CCOc1c(Br)cc(/C=C(\C#N)c2nc(-c3ccc4c(c3)CCCC4)cs2)cc1OC 1872782950 YQOCSNRDHKXWFP-KEBDBYFISA-N 495.442 6.923 50 10 JKGE CC(C)(C)c1ccc(-c2csc(/C(C#N)=C/c3ccccc3OCc3ccccc3Cl)n2)cc1 1872792402 WNIDDVXVKXJPKT-XQNSMLJCSA-N 485.052 8.404 50 10 JKGE COc1cc(-c2csc(/C(C#N)=C/c3cc(Br)ccc3O)n2)c(OC)cc1Cl 1872793758 RGNRYQKGIBPWCO-LFYBBSHMSA-N 477.767 6.013 50 10 JKGE CCCOc1ccc(-c2csc(/C(C#N)=C(\O)c3ccc([N+](=O)[O-])c(C)c3)n2)cc1OCCC 1872818209 SBWPNYOICLNQCU-CLCOLTQESA-N 479.558 6.554 50 10 JKGE O=C(c1ccc(Br)c(Cl)c1)N(Cc1ccccc1)C1(CBr)CCC1 1915757150 VDWYAGAQBUMROJ-UHFFFAOYSA-N 471.620 6.063 50 10 JKGE Cc1c(Br)sc([C@H](Br)c2ccc3ccccc3c2)c1Br 1922880363 DJADEFIAGHOMGA-CQSZACIVSA-N 475.043 7.219 50 10 JKGE Clc1cc(Br)ccc1[C@H](Cl)c1sc(Br)cc1Br 1922941620 OWCRSXMEOBYIST-JTQLQIEISA-N 479.846 7.017 50 10 JKGE CCCCCCC[C@H](Br)c1c(Br)sc(Br)c1Cl 1923048745 ILZBDOKVQSLAKF-QMMMGPOBSA-N 467.492 7.723 50 10 JKGE Cc1ccc(Br)cc1[C@@H](Br)c1c(Cl)sc(Br)c1Cl 1925586547 AGZUWYPLINCHIF-SECBINFHSA-N 493.873 7.373 50 10 JKGE Cc1csc([C@H](Cl)c2sc(Br)cc2Br)c1Br 1939882029 CVTCULZWXAHKEK-MRVPVSSYSA-N 465.457 6.734 50 10 JKGE COCc1cc(Br)c([C@H](Br)c2sncc2Br)s1 1941507721 QNAKWMIZIJMWMP-QMMMGPOBSA-N 462.026 5.360 50 10 JKGE Clc1c(Br)sc(Br)c1[C@H](Br)CC1C[C@H]2C[C@@H]2C1 1950074168 ALSURCWKDSTUEA-BIIVOSGPSA-N 463.460 6.799 50 10 JKGE Cc1c(Br)sc([C@H](Br)[C@H]2C[C@]23CC3(F)F)c1Br 2004506211 GDJVQWPOBHKTCJ-LIGPWKHUSA-N 450.968 6.063 50 10 JKGE Cc1cc(Br)c(F)c([C@H](Br)c2cc(Br)c(Cl)s2)c1 2028924026 NLERYARCHWSIMB-JTQLQIEISA-N 477.418 6.858 50 10 JKGE Cn1ncc([C@@H](Br)c2cc(Br)c(Cl)cc2F)c1Br 2036578778 OTUCNZKXVAAYBN-JTQLQIEISA-N 461.354 5.222 50 10 JKGE Cc1sc(Br)c([C@@H](Br)c2c(Cl)sc(Cl)c2Cl)c1C 2039502943 MAFOAMMMWZWELG-SSDOTTSWSA-N 469.478 7.633 50 10 JKGE Cc1cc(C)c(C=C(C#N)S(=O)(=O)c2cc(Br)ccc2Br)c(C)c1 2040461211 DPQFYHNYBDIVLA-UHFFFAOYSA-N 469.198 5.475 50 10 JKGE CO[C@H]1C[C@@H]([C@H](Br)c2sc(Br)cc2Br)C[C@H]1OC 2054499700 TZPTWZWWKHISQQ-HLFIEIIFSA-N 463.029 5.149 50 10 JKGE Cn1ncc2cc([C@H](Br)c3cc(Br)sc3Br)sc21 2054801475 IAMFRQSWGFSGMU-SECBINFHSA-N 471.037 5.706 50 10 JKGE C[C@]1([C@H](Br)c2ccc(Br)cc2Br)C[C@H]1C(F)(F)F 2083330804 SMPJPAHVNLGIMH-MXWKQRLJSA-N 450.918 6.236 50 10 JKGE Cc1cc(Cl)cc([C@H](Br)c2ccc(Br)cc2Br)c1 2083338663 NXDWDYKBGPWGCJ-AWEZNQCLSA-N 453.399 6.658 50 10 JKGE Cc1ccc(C)c([C@H](Br)c2ccc(Br)cc2I)c1 2086148713 FJMJAFSPFCKLPS-OAHLLOKOSA-N 479.981 6.155 50 10 JKGE CCc1nc(Br)c(Br)n1CCCCCCCCCBr 2087648594 DINDYGUZEOYWTE-UHFFFAOYSA-N 459.064 6.096 50 10 JKGE CCC[C@@H]1CC[C@@H](Br)[C@@H](Cc2ccc(Br)cc2Br)C1 2092268467 XOPPXQZOGGCIES-UXIGCNINSA-N 453.056 6.734 50 10 JKGE CC12COC(COc3c(Br)cc(CBr)cc3Br)(C1)C2 2093908724 BAXNZPSBESYUJP-UHFFFAOYSA-N 454.984 5.054 50 10 JKGE O=C(NC1(CBr)CCCCCC1)c1csc(Br)c1Br 2093948065 QYWCBJALPZNTPB-UHFFFAOYSA-N 474.056 5.491 50 10 JKGE O=S(=O)(c1cc(Br)cc(CCl)c1F)N(Cc1ccccc1)CC(F)(F)F 2095873757 KHQBJKOGEMOTTA-UHFFFAOYSA-N 474.701 5.080 50 10 JKGE O=C(c1cc(Br)c(Br)s1)N1[C@H](CBr)C[C@@H]2CCC[C@@H]21 2108392311 RAZDPQKXXVSTOK-NRPADANISA-N 472.040 5.051 50 10 JKGE Brc1cc([C@H](Br)[C@@H]2C[C@H]3CCCCCC[C@@H]32)sc1Br 2109844787 CSICXFJVEWKVHB-FBKDDSFISA-N 471.096 7.316 50 10 JKGE FC(F)(F)c1cc(Br)cc([C@@H](Br)c2sccc2Br)c1 2115772802 VQANITANBMGKMX-SNVBAGLBSA-N 478.953 6.776 50 10 JKGE Cc1cc(F)c(C[C@H](Br)c2ccccc2Br)c(Br)c1 2116783906 ZUFDRCBEIFRUPP-AWEZNQCLSA-N 450.971 6.338 50 10 JKGE Brc1cc([C@H](Br)c2cc(Br)c3c(c2)CCCO3)ns1 2120033176 RHHQJUGREKUOFJ-GFCCVEGCSA-N 468.008 5.477 50 10 JKGE Cc1cc(Br)c([C@H](Cl)c2c(C)nn(C)c2Br)cc1Br 2129264877 GDUBFWMDRDNVTR-LBPRGKRZSA-N 471.418 5.653 50 10 JKGE Cc1cc([C@@H](Br)Cc2c(Cl)cccc2Cl)ccc1I 2142107320 RQVAJVCNABWPPF-LBPRGKRZSA-N 469.975 6.585 50 10 JKGE C[C@@H]1Cc2cc([C@H](Br)c3ccc(OCc4ccccc4)cc3)cc(Br)c2O1 2146629221 WSGUXSZTSXFCKE-IVZQSRNASA-N 488.219 6.836 50 10 JKGE C[C@H]1Cc2cc([C@@H](Br)c3ccc(OCc4ccccc4)cc3)cc(Br)c2O1 2146629222 WSGUXSZTSXFCKE-NYHFZMIOSA-N 488.219 6.836 50 10 JKGE C[C@@H]1Cc2cc([C@@H](Br)c3cccc(Br)c3Br)ccc2O1 2148751837 RNKMCESJBGFZDT-RFAUZJTJSA-N 460.991 6.019 50 10 JKGE Cc1cc(Br)c(F)c([C@H](Br)c2cc(C3CC3)c(Br)s2)c1 2151035654 CMRIQZNGEGSZTO-ZDUSSCGKSA-N 483.038 7.082 50 10 JKGE C[C@@H](Cl)c1nc2cc(I)ccc2n1[C@H]1CN(Cc2ccccc2)C(C)(C)C1 2154535563 RYTJXYVITWVMKI-CRAIPNDOSA-N 493.820 6.166 50 10 JKGE CC(C)(C)OC(=O)NC[C@@H]1C[C@@H](C(F)(F)F)CCN1C[C@H](CBr)C(C)(C)C 2163834318 FRXMSUOIEPVUDC-KKUMJFAQSA-N 459.391 5.211 50 10 JKGE CC1(C)CCC[C@@H](CO[C@H](CI)c2cccc(Br)c2)O1 2185557698 YUMFUDGAWKHCHL-LSDHHAIUSA-N 453.158 5.290 50 10 JKGE CC(C)(C)CC1CC(O[C@@H](CI)c2ccc(Br)cc2)C1 2188307561 LPQLHRXDWRTBCE-MOQPWLNLSA-N 451.186 6.157 50 10 JKGE CC1(C[S@@](C)(=O)=NCC2(CBr)CCCCCC2)CN(C(=O)OC(C)(C)C)C1 2192790349 YISHKXMPNWBKHP-HHHXNRCGSA-N 465.498 5.077 50 10 JKGE Cc1cc(Br)c(C)c([C@H](Cl)c2cccc(Cl)c2Cl)c1Br 2201078952 QLYABYDYVLCDGE-OAHLLOKOSA-N 457.420 7.463 50 10 JKGE CC[C@H]1CC[C@H](CC(CBr)(CBr)c2cccc(Br)c2)O1 2201407967 BHZFWWTXGMYUBA-LSDHHAIUSA-N 469.055 5.824 50 10 JKGE COc1cc(Cl)c([C@H](Br)c2cc3cscc3s2)cc1Br 2202358077 YQIFIBDQBKQIIN-AWEZNQCLSA-N 452.620 6.872 50 10 JKGE O=C(c1c(Br)cccc1Br)N1[C@@H](CBr)CCC12CCC2 2205767309 GIWWYROQOSILEN-SNVBAGLBSA-N 466.011 5.134 50 10 JKGE CC(C)[C@H](CBr)N(Cc1ccccc1)C[C@@H]1CC1(Br)Br 2209114819 ZTJOHCJNSCJKLZ-GJZGRUSLSA-N 468.071 5.414 50 10 JKGE Cc1sc(C(=O)N(Cc2ccccc2)[C@@H](C)CCBr)c(Br)c1C 2211911923 IEFMKTKOLQAHBD-LBPRGKRZSA-N 459.247 5.943 50 10 JKGE Cc1c(Br)sc([C@@H](Br)c2cc(Cl)cc(Br)c2)c1C 2218788391 CPYWNUMRHBACKA-NSHDSACASA-N 473.455 7.028 50 10 JKGE CC[C@@H]1CC[C@H]([C@@H](Br)c2c(Br)cc(C)c(Br)c2C)O1 2227360329 RGIKKKJGWYALAN-IXPVHAAZSA-N 455.028 6.222 50 10 JKGE Cc1ccc([C@H](Cl)Cc2ccc(Br)cc2Cl)cc1I 2229141478 ROMRGDLYKHNMHZ-CYBMUJFWSA-N 469.975 6.538 50 10 JKGE Cc1ccc(Br)c([C@H](Br)c2c(Br)cc(C)c(Cl)c2C)c1 2232527788 FJWOARHVAMHIDV-HNNXBMFYSA-N 481.453 7.275 50 10 JKGE Cc1cc(Br)c([C@@H](Br)c2cc(F)cc(Br)c2)c(C)c1Cl 2232529145 KTJZVCRWGWNNDW-AWEZNQCLSA-N 485.416 7.105 50 10 JKGE Cc1cc(Br)c([C@@H](Br)Cc2cccc(Br)c2)c(C)c1Cl 2232529225 LEEBVEBZPOLNED-AWEZNQCLSA-N 481.453 7.161 50 10 JKGE Cc1cc(Br)c([C@@H](Br)[C@@H]2OCCOC2(C)C)c(C)c1Br 2235606544 CLIDPLIEQWVRFK-KGLIPLIRSA-N 471.027 5.458 50 10 JKGE COc1cc(Br)c([C@H](Br)c2ccc(Br)c(F)c2)cc1C 2236010277 QBGZVGXAARDHOA-OAHLLOKOSA-N 466.970 6.152 50 10 JKGE Fc1cccc(I)c1[C@H](Cl)c1cc(Br)c(Cl)s1 2247956121 BKKJTCJKTHDGEO-SNVBAGLBSA-N 465.940 6.236 50 10 JKGE CC1CC2(C1)CC([C@@H](Cl)c1c(Br)sc(Br)c1Br)C2 2259482058 ZXOZRAMPFBZNOI-RUBYRVAZSA-N 477.487 7.142 50 10 JKGE C[C@@H](Br)CN(C(=O)c1csc(Br)c1Br)C1CCC1 2259746570 XCNFEBPBQLOGAF-SSDOTTSWSA-N 460.029 5.051 50 10 JKGE Fc1cc(Br)c(F)c(Br)c1[C@@H](Br)C1(C(F)F)CC1 2260071946 UTAWITSNUIIIDS-SECBINFHSA-N 454.881 5.971 50 10 JKGE Fc1cc(Br)c(F)c(Br)c1[C@H](Br)[C@H]1CC[C@@H](F)C1 2260084092 ZRKGPLUBOIOTHM-BAJZRUMYSA-N 450.918 6.064 50 10 JKGE CN(Cc1cccc(I)c1)c1cccc(Cl)c1CBr 2265543794 GFMWWCJJWRWAJZ-UHFFFAOYSA-N 450.545 5.476 50 10 JKGE COc1ccc(Br)cc1[C@H](Br)c1c(F)cccc1I 2267658301 GDWBZPOENSHRKZ-AWEZNQCLSA-N 499.943 5.686 50 10 JKGE Fc1cc(Br)c(F)c(Br)c1[C@H](Br)[C@@H]1C[C@H]2C[C@@H]2CO1 2272747541 LGGNAJMJLXRCER-GMVJNNPSSA-N 460.938 5.351 50 10 JKGE Brc1cc(Br)cc(C[C@@H](Br)C2CC3(CCCC3)C2)c1 2277963301 SDTUBTXJIKLYDP-OAHLLOKOSA-N 451.040 6.488 50 10 JKGE Fc1cc([C@H](Br)c2cc(C3CC3)c(Br)s2)c(F)cc1Br 2282090354 NUJNFAZXEQVRAI-ZDUSSCGKSA-N 487.001 6.913 50 10 JKGE CCOCc1cc(Br)c([C@@H](Cl)c2cccc(Cl)c2Br)s1 2283199624 ITAOOQNAXIKNDF-ZDUSSCGKSA-N 459.030 6.791 50 10 JKGE COc1ccc([C@@H](Br)C2(CC(C)C)CCCC2)cc1I 2285006895 HGAJIBSHZCRDNI-MRXNPFEDSA-N 451.186 6.342 50 10 JKGE Cc1ccccc1C[C@@H](Br)c1c(F)cc(Br)c(F)c1Br 2288362862 KRUMXAIBAREVKQ-SNVBAGLBSA-N 468.961 6.477 50 10 JKGE Cc1oc(C)c([C@H](Br)c2c(F)cc(Br)c(F)c2Br)c1C 2288492732 JSWDMLOCCMOLFI-LBPRGKRZSA-N 472.949 6.492 50 10 JKGE Cc1ccc(NC=C(C#N)c2nc(-c3cc4cc(Br)ccc4oc3=O)cs2)cc1C 2296789963 FUMCADMZJQBPSN-UHFFFAOYSA-N 478.371 6.272 50 10 JKGE CCOC(=O)c1c(NC=C(C#N)c2nc(-c3ccc(OC)cc3)cs2)sc(C(=O)OC)c1C 2296790113 PHTDBOZAYFCWDR-UHFFFAOYSA-N 483.571 5.129 50 10 JKGE CC(=O)Nc1ccc(OCCOc2ccc(C=C(C#N)C(=O)Nc3nc4ccccc4s3)cc2)cc1 2297347333 NAAOAQXZFXKLBD-UHFFFAOYSA-N 498.564 5.258 50 10 JKGE Fc1cc(Cl)c(Br)c(Cl)c1[C@H](Br)C1(Br)CCC1 2298980757 AYEUFQYWYIGULA-JTQLQIEISA-N 469.801 6.649 50 10 JKGE Brc1cc(OCc2ccccc2)ccc1[C@@H](Br)[C@@H]1CCC2(CC2)C1 2299508522 JZERBHWNLAWPMI-UZLBHIALSA-N 450.214 7.044 50 10 JKGE CCCOc1c(Br)cc(C=C(C#N)C(=O)Nc2cccc(C)c2C)cc1OCC 2313518134 LZRCLCXEXDAMLF-UHFFFAOYSA-N 457.368 5.799 50 10 JKGE COc1cc(C=C(C#N)C(=O)Nc2ccc(C)cc2)c(Br)cc1OCc1ccccc1F 2313568694 WDYUDFNMZOVNTB-UHFFFAOYSA-N 495.348 6.030 50 10 JKGE N#CC(=Cc1ccccc1OCc1cccc([N+](=O)[O-])c1)C(=O)Nc1cccc(Cl)c1Cl 2313570721 DUEXHUTWORBUOV-UHFFFAOYSA-N 468.296 6.026 50 10 JKGE N#CC(=Cc1ccc(OCc2ccccc2Cl)cc1)C(=O)Nc1cccc(C(F)(F)F)c1 2313670621 LDJKBCLCKORFJX-UHFFFAOYSA-N 456.851 6.483 50 10 JKGE COc1ccccc1NC(=O)C(C#N)=Cc1ccc(N2N=C(c3ccccc3)C[C@H]2c2ccccc2)cc1 2314482561 ODTFTOQCMNGDSR-PMERELPUSA-N 498.586 6.597 50 10 JKGE FC1(F)CC[C@@H]2[C@@H]([C@H](Br)c3cc(Br)ccc3OCc3ccccc3)[C@@H]21 2314501762 AYCCHIMEGKGSSA-UTRMSSBJSA-N 472.167 6.755 50 10 JKGE CC(C)(C)c1ccc(C=CC(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@@H]3c2cccc(F)c2)cc1 2314634397 MPNKHTBDYCUUQP-HHHXNRCGSA-N 468.528 5.960 50 10 JKGE Cc1cc2sc([C@@H](Br)c3sc(Cl)cc3I)cc2s1 2316776196 AGFNZEKZEIKUKM-LLVKDONJSA-N 489.650 7.075 50 10 JKGE C[C@@H]1CC[C@H](Br)[C@H](Cc2ccc(I)c(Br)c2)CC1 2325173929 BTIUMETXYLNMBM-DRZSPHRISA-N 486.029 6.186 50 10 JKGE COc1c(C)cc(C)cc1-c1csc(C(C#N)=C(O)CNC(=O)c2ccc(Cl)cc2Cl)n1 2331371907 QIUPJFRSTIPNCD-UHFFFAOYSA-N 488.396 5.965 50 10 JKGE COc1ccc(-c2csc(C(C#N)=C(O)CNC(=O)c3ccc(Cl)cc3)n2)cc1Cl 2331398062 ALSMCFKWPRRCRR-UHFFFAOYSA-N 460.342 5.348 50 10 JKGE CCCCCCOc1ccc(C=C(C#N)c2nc(-c3ccc(F)c(F)c3)cs2)cc1OC 2331464057 UVRPLEXOLLAIQH-UHFFFAOYSA-N 454.542 7.120 50 10 JKGE Cc1cc(Br)c([C@@H](Br)[C@@H]2CCC[C@@H]3C[C@@H]32)c(C)c1Br 2333708413 ILBVSUFSSDLFPS-YMEQNVIZSA-N 451.040 6.701 50 10 JKGE Fc1cc(Br)c(F)c(Br)c1[C@@H](Br)[C@@H]1C[C@@H]2CC[C@H]1C2 2334719404 GQFDDRAZVVEDKA-ZWADGADFSA-N 458.966 6.362 50 10 JKGE CC(C)(C)OC(=O)N1CCC(CC2CCN(CCCCCI)CC2)CC1 2335971463 AMYUIAZSUQGMQP-UHFFFAOYSA-N 478.459 5.341 50 10 JKGE Brc1ccc(OCc2ccccc2)c([C@H](Br)[C@@H]2C[C@H]2C2CCCCC2)c1 2336041576 OZISRJVTPXAPDJ-MIZPHKNDSA-N 478.268 7.681 50 10 JKGE Cc1c(F)ccc([C@H](Br)c2sc(Br)c(C)c2Br)c1Cl 2338766521 WVZYFKLPKZAVFO-JTQLQIEISA-N 491.445 7.167 50 10 JKGE COc1c(Br)cc(C)c([C@H](Br)[C@@H]2CC[C@@H](C)C2)c1Br 2339640028 TYORZFMTKINWOG-ZDSQKVDBSA-N 455.028 6.401 50 10 JKGE Cc1cc(Br)c(F)c(Br)c1[C@H](Cl)c1scc(Br)c1C 2339640216 VSWPQZYKUJVSEC-NSHDSACASA-N 491.445 7.120 50 10 JKGE Cc1cc(Br)c(F)c(Br)c1[C@@H](Br)[C@@H]1CCCC12CC2 2339650866 JYGPVBTXTCEOEL-CABZTGNLSA-N 455.003 6.675 50 10 JKGE COc1c(Br)cc(C)c([C@H](Br)[C@@]23CCC[C@H]2C3)c1Br 2339654217 QHGGZZQKXPJYKI-ULKVUYOBSA-N 453.012 6.155 50 10 JKGE Clc1ccc(CN2C[C@H](Br)CC3(CCC3)C2)c(I)c1 2341048341 JGIWEDQPEWNOJB-GFCCVEGCSA-N 454.577 5.084 50 10 JKGE BrC[C@]1(Cc2ccc(I)c(Br)c2)CCC=CCCC1 2349850983 JJAPHZBLUVUHEM-MRXNPFEDSA-N 498.040 6.498 50 10 JKGE Fc1c(Br)cc(Cl)c([C@@H](Br)[C@H]2CC23CC(F)(F)C3)c1Br 2362232422 OESGWJJXOZVKEV-ANLVUFKYSA-N 497.374 6.876 50 10 JKGE C[C@H](Br)C[C@H]1CCCCCN1Cc1ccc(Cl)cc1I 2366738562 NLIAYJWAMOIRQM-SWLSCSKDSA-N 470.620 5.863 50 10 JKGE Cl[C@@H]1CN(Cc2ccc(I)c(Br)c2)C2(CCCCC2)C1 2377352292 AGLAMQLWPRBKQZ-ZDUSSCGKSA-N 468.604 5.570 50 10 JKGE Cc1cc(Br)c(C(C)C)cc1[C@H](Br)c1ccccc1OCc1ccccc1 2380943456 YRDOWJJUTZRXRH-XMMPIXPASA-N 488.263 7.944 50 10 JKGE CC(C)(C)Oc1ccc([C@@H](Cl)c2cscc2OCc2ccccc2)cc1Br 2381318089 WFPFYYUXFADQPO-OAQYLSRUSA-N 465.840 7.595 50 10 JKGE CCN(CC)c1ccc(/C=C2\CCC(/C=C(/C#N)c3nc4ccccc4s3)=C2N2CCOCC2)cc1 3185331 ZTJOUKDDAYRXCL-TZZJZTKFSA-N 496.680 6.513 50 10 JKGE CCOC(=O)c1ccc(N2C(=O)/C(=C/Nc3ccc(SC#N)cc3C)c3ccccc3C2=O)cc1 12546841 WRFXZLLINDAJON-HZHRSRAPSA-N 483.549 5.385 50 10 JKGE COc1ccccc1/C(C#N)=C\c1cccc(OC(=O)CC(c2ccccc2)c2ccccc2)c1 31902687 PTSQBGTZKKZUPI-XHPQRKPJSA-N 459.545 6.887 50 10 JKGE CCN(CC)c1ccc(/C=C2/CCC(/C=C(\C#N)c3nc4ccccc4s3)=C2N2CCOCC2)cc1 33479374 ZTJOUKDDAYRXCL-SFDFQISYSA-N 496.680 6.513 50 10 JKGE N#C/C(=C\c1ccc(-n2nc(-c3ccccc3)cc2-c2ccccc2)cc1)C(=O)Nc1ccc(F)cc1 33568599 UBDPZSAOAMJOOC-NCELDCMTSA-N 484.534 6.891 50 10 JKGE CCOc1cc(/C=N/NC(=O)[C@H](C)Oc2ccc(Cl)cc2C)ccc1OC(=O)c1ccccc1 33959174 CQUGSAHZOXOBQV-CTOFZRSPSA-N 480.948 5.184 50 10 JKGE Cc1cc(/C=C(/C#N)C(=O)NCc2cccs2)c(C)n1-c1ccc(Br)c2ccccc12 34868370 LMRFNYCZARPPEV-UYRXBGFRSA-N 490.426 6.295 50 10 JKGE Cc1ccc(C(=O)Nc2sc(/C(C#N)=C\C3=Cc4ccccc4O[C@H]3C)nc2-c2ccccc2)cc1 34982864 CDJGNLDVDWTOEA-JTOYMXJDSA-N 489.600 7.142 50 10 JKGE CCOc1ccc(C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@@H]3c2ccc(Br)cc2)cc1 38651632 NWDHYFTVFWRJJC-HSZRJFAPSA-N 491.341 5.285 50 10 JKGE CC(C)c1ccc(O[C@@H](C)C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@H]3c2cccs2)cc1 38656626 LDPYSHDTKCUHSR-FYSMJZIKSA-N 460.555 5.463 50 10 JKGE Cc1ccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)[C@@H](C)Oc4ccc(C(C)C)cc4)ccc32)o1 38659364 CRAFMSICPNLNGL-CRICUBBOSA-N 458.514 5.303 50 10 JKGE CCc1ccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)[C@H](C)Oc4ccc(C(C)C)cc4)ccc32)cc1 38677573 IXSGOCBCKVRDCG-VKGTZQKMSA-N 482.580 5.963 50 10 JKGE CCOc1cccc(C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@@H]3c2ccccc2Br)c1 38678836 UAVIHVOYCDDBRD-HSZRJFAPSA-N 491.341 5.285 50 10 JKGE N#CC1=C(N)Oc2cc(OC(=O)c3ccc(F)cc3)ccc2[C@H]1c1c(Cl)cccc1Cl 38679528 GUDPBHMIAXKJNJ-HXUWFJFHSA-N 455.272 5.570 50 10 JKGE Cc1ccc(NC(=O)c2oc3c(c2C)/C(=N/NC(=O)c2cccc4ccccc24)CCC3)nc1 40813632 NGYJEKVXBBRZGG-MWAVMZGNSA-N 452.514 5.167 50 10 JKGE Cc1cc(OC(=O)c2oc3c(c2C)/C(=N/NC(=O)Cc2ccc([N+](=O)[O-])cc2)CCC3)ccc1Cl 40814647 CJHYTAVKEKMLKH-NHFJDJAPSA-N 495.919 5.077 50 10 JKGE CCOc1ccc([C@H](O)CCC(=O)N/N=C/c2ccc(-c3cccc(Cl)c3Cl)o2)cc1 58892785 UDCSYSXNKFXENB-RAQUAXEKSA-N 461.345 5.616 50 10 JKGE CCc1ccc(NC(=O)/C(C#N)=C\c2cc(Br)ccc2OCc2cccc(Cl)c2)cc1 59266348 NEQVJCMNDIJHAX-MOSHPQCFSA-N 495.804 6.790 50 10 JKGE CCOc1cc(/C=C(/C#N)C(=O)NCCc2ccccc2)ccc1OCc1cccc(C(F)(F)F)c1 96438704 GLJIUZQBSMEXAE-HAHDFKILSA-N 494.513 5.949 50 10 JKGE CCOC(=O)c1c(N/C=C(\C#N)c2nc(-c3cccc([N+](=O)[O-])c3)cs2)sc2c1CCCC2 102938811 VBQSGFMXFMNNRI-NTCAYCPXSA-N 480.571 5.812 50 10 JKGE Fc1cc(Br)ccc1[C@@H](Cl)c1cc(Br)c(Br)s1 128155546 SYEKNDFCZKTKSY-SNVBAGLBSA-N 463.391 6.503 50 10 JKGE Cc1ccc([C@H](Br)c2cc3c(cc2Br)OCCO3)c(Br)c1 161437642 KGBOQCONHQJBFY-INIZCTEOSA-N 476.990 5.776 50 10 JKGE COc1cc(/C=C(/C#N)C(=O)NCc2ccccc2)ccc1OC(=O)/C=C\c1ccc(C(C)C)cc1 206395243 RVQJKJKZPIMYRF-YZCAAAHOSA-N 480.564 5.661 50 10 JKGE Cc1ccc(-c2nn(-c3ccccc3)cc2/C=C(/C#N)S(=O)(=O)c2ccc(C)c(C)c2)cc1 210035349 WITNMKLJAJJSOA-QQXSKIMKSA-N 453.567 5.803 50 10 JKGE N#C/C(=C/N(Cc1ccccc1)c1ccccc1)C(=O)Nc1ccccc1Sc1ccccc1 217243731 WNSWVEKWWRNHMN-GYHWCHFESA-N 461.590 6.891 50 10 JKGE COc1cc([C@@H](Br)c2cc(Cl)sc2Cl)c(OC)cc1Br 234977916 GKNGQRQUZGFHFN-GFCCVEGCSA-N 461.002 6.319 50 10 JKGE COC(=O)[C@H](C)[C@@H]1CC[C@@H]2[C@@]34CC[C@@]5(C[C@H](OC(=O)c6ccccc6)CC[C@]5(C)C3=CC[C@@]12C)OO4 254413576 UUHHCZJOUIVZEG-RAGDQRLGSA-N 494.628 5.807 50 10 JKGE O=C(NN=Cc1ccc(C(F)(F)F)cc1)c1cc(-c2ccc(Cl)cc2)nc2ccccc12 254633272 QGAKUTWPVNZHII-UHFFFAOYSA-N 453.851 6.338 50 10 JKGE Cc1ccc(-c2sc(-c3ccccc3)nc2CC(=O)NN=c2sc3ccccc3n2C)cc1 254837895 ZYSPFGDYVDERMC-UHFFFAOYSA-N 470.623 5.513 50 10 JKGE COc1ccccc1C(=O)NN=Cc1ccccc1OC(=O)c1sc2ccccc2c1Cl 254844925 QHRLDGUMGKNXDR-UHFFFAOYSA-N 464.930 5.546 50 10 JKGE CCCCCCCCO[C@@]1(CI)CCCN(C(=O)OC(C)(C)C)C1 303741117 GRRDQPFFCPBZRB-LJQANCHMSA-N 453.405 5.568 50 10 JKGE CC1(C)OB(c2ccc(-c3ccc(Br)cc3)c(CBr)c2)OC1(C)C 382644450 TVYPRTQJGGNEAI-UHFFFAOYSA-N 451.995 5.310 50 10 JKGE CC(C)(C)OC(=O)N1C[C@H](CBr)[C@H](c2cc(Br)ccc2Br)C1 382694789 SRDAFIPISHPLEN-GXFFZTMASA-N 498.053 5.557 50 10 JKGE C[C@H](Cl)c1nc2cc(I)ccc2n1C[C@H]1CCCN1Cc1ccccc1 390584691 QITCVGSHTFICNX-MAUKXSAKSA-N 479.793 5.605 50 10 JKGE Cc1cccc([C@H](Br)c2c(C)cc(C)c(Br)c2C)c1Br 394300846 RSRVUBIZYSPFCJ-KRWDZBQOSA-N 461.035 6.930 50 10 JKGE Fc1cc([C@H](Br)c2cc(Cl)ccc2I)c(F)c(F)c1F 395600139 BGHATBSJCKMBSQ-SNVBAGLBSA-N 479.436 5.985 50 10 JKGE CC(C)(C)[Si](C)(C)OCCN1CCC[C@H](c2cccc(CO[Si](C)(C)C(C)(C)C)c2)C1 616618540 ZBNIDNAKZSJNHA-DEOSSOPVSA-N 463.855 7.410 50 10 JKGE C[C@H]1CN(Cc2ccccc2)CC[C@@H]1n1c(CCl)nc2ccc(F)c(Br)c21 689729800 FBSUGSJKWWKFIV-KSSFIOAISA-N 450.783 5.760 50 10 JKGE Clc1cc(Br)cc(Oc2cc(Br)ccc2CBr)c1 697951508 PDOFKQRJNNQZLZ-UHFFFAOYSA-N 455.371 6.552 50 10 JKGE C[C@H](Br)C[C@@H]1CCCN1C(=O)c1scc(Br)c1Br 705408004 DXGFWFQKOHCWAK-YUMQZZPRSA-N 460.029 5.051 50 10 JKGE O=C(c1scc(Br)c1Br)N(CCBr)C1CCCCC1 705420491 SRDOOLHRVIOIFP-UHFFFAOYSA-N 474.056 5.443 50 10 JKGE CC(=NNC(=O)COc1ccc2cc(Br)ccc2c1Br)C(C)(C)C 1084099647 PWITXQFQOMJYEQ-UHFFFAOYSA-N 456.178 5.282 50 10 JKGE CC(C)(C)c1cc(C=NNC(=O)CN(Cc2ccccc2)Cc2ccccc2)cc(C(C)(C)C)c1O 1084309861 OVKKOONEAGXJIZ-UHFFFAOYSA-N 485.672 6.140 50 10 JKGE C=CCc1cc(C=NNC(=O)CC[C@H](O)c2ccccc2)ccc1OCc1cccc2ccccc12 1084379953 GJWAKXLCHVUUPP-LJAQVGFWSA-N 478.592 6.111 50 10 JKGE CCc1ccc(NC(=O)/C(C#N)=C\c2ccc(-c3ccc([N+](=O)[O-])cc3Br)o2)cc1 1084462151 XCQWYUWNOGVWAL-PTNGSMBKSA-N 466.291 5.725 50 10 JKGE Cc1cccc(NC(=O)/C(C#N)=C\c2cn(Cc3ccc(Br)cc3)c3ccccc23)c1 1084629600 MJAVAYUPVXNQQH-ZHZULCJRSA-N 470.370 6.306 50 10 JKGE COc1ccc(/C(C#N)=C/c2ccc(OC(=O)CC(c3ccccc3)c3ccccc3)cc2)cc1OC 1615099312 BEYFISXAWJOMOK-ZXVVBBHZSA-N 489.571 6.896 50 10 JKGE CCc1ccc(OC(=O)c2oc3c(c2C)C(=NNC(=O)c2ccc(Cl)cc2Cl)CCC3)cc1 1772745767 KKOYAYSEHVHCTM-UHFFFAOYSA-N 485.367 6.147 50 10 JKGE CC(C)c1ccc([C@@H]2C(C#N)=C(N)Oc3c2c(-c2ccccc2)nn3-c2ccccc2Cl)cc1 1865685701 LSFGYZLZQPFINI-XMMPIXPASA-N 466.972 6.534 50 10 JKGE Cc1nn(-c2ccccn2)c2c1[C@H](c1ccccc1OCc1ccccc1Cl)C(C#N)=C(N)O2 1865702867 HELKGSALSBQPFV-XMMPIXPASA-N 469.932 5.026 50 10 JKGE CCc1nn(C)c2c1[C@H](c1ccc(OCc3ccc(Cl)cc3Cl)c(OC)c1)C(C#N)=C(N)O2 1865703951 JJVIULPEGKLNDT-OAQYLSRUSA-N 485.371 5.095 50 10 JKGE CCCc1nn(Cc2ccc(Cl)cc2)c2c1[C@H](c1ccc(Br)cc1)C(C#N)=C(N)O2 1865714983 SEIFRIQPIYCJMY-HXUWFJFHSA-N 483.797 5.518 50 10 JKGE C/C(=C\c1ccccc1Cl)C(=O)N[C@H](Cc1ccc(O)cc1)C(=O)Nc1ccc(SC#N)cc1 1866816524 VQSDCGYNOWNBGT-CQLKWFSRSA-N 492.000 5.388 50 10 JKGE CN1CCN(c2cc(Nc3ccc(SC#N)cc3)nc(-c3cccnc3)n2)C[C@@H]1c1ccc(F)cc1 1868565992 SVEOXUFXCBSGDO-XMMPIXPASA-N 497.603 5.488 50 10 JKGE COc1ccc(-c2c(C(F)(F)F)oc3cc(OC(=O)C(Cl)Cl)ccc3c2=O)cc1OC 1871385360 OSDQVUGQTLVVLP-UHFFFAOYSA-N 477.218 5.205 50 10 JKGE N#C/C(=C(/O)CCCOc1ccc2ccccc2c1)c1nc(-c2ccc(Cl)cc2Cl)cs1 1872744839 KNZATBDIUIEEBL-FLFQWRMESA-N 481.404 7.922 50 10 JKGE CC(C)C[C@@H](/C(O)=C(\C#N)c1nc(-c2ccc([N+](=O)[O-])cc2)cs1)N1C(=O)c2ccccc2C1=O 1872747034 KUVHSKYRUUFRNN-NNWMPZTLSA-N 488.525 5.222 50 10 JKGE CC(C)(C)c1csc(/C(C#N)=C(\O)c2cc(S(=O)(=O)N3CCCCC3)ccc2Cl)n1 1872748891 RGTIMEVJSVVINN-MNDPQUGUSA-N 466.028 5.218 50 10 JKGE CCCCCCCOc1ccc(-c2csc(/C(C#N)=C(\O)c3ccc([N+](=O)[O-])c(C)c3)n2)cc1 1872753361 TWQSJQWCUDRELI-LVWGJNHUSA-N 477.586 7.326 50 10 JKGE CCOc1ccc(-c2csc(/C(C#N)=C(\O)c3cccc(OC(C)=O)c3)n2)c(OCC)c1 1872755211 DBURHEZXRJNNOY-ATJXCDBQSA-N 450.516 5.483 50 10 JKGE COc1cc(OC)c(-c2csc(/C(C#N)=C(\O)c3c(OC)cccc3OC)n2)cc1Cl 1872756375 JHHJBFVGJQPKKP-BKUYFWCQSA-N 458.923 5.448 50 10 JKGE COc1ccc(-c2csc(/C(C#N)=C(\O)[C@@H](C)Oc3ccccc3C(C)C)n2)c(OC)c1OC 1872759650 VHOSJWRUNWAIEL-LTUQMTLXSA-N 480.586 6.219 50 10 JKGE CCCOc1c(Br)cc(/C=C(\C#N)c2nc(-c3ccc(F)cc3F)cs2)cc1OC 1872784058 ADPAIUSCFMLCFT-VGOFMYFVSA-N 491.357 6.712 50 10 JKGE COc1cc(/C=C(\C#N)c2nc(C(C)(C)C)cs2)ccc1OCc1ccc(Cl)cc1Cl 1872790354 CHMLACDVHUSTDF-RQZCQDPDSA-N 473.425 7.399 50 10 JKGE COc1cc(C)c(-c2csc(/C(C#N)=C/c3cc(OC)c(O)c(OC)c3)n2)cc1C(C)C 1872793402 YDLIHUMAETXXIM-CAOOACKPSA-N 450.560 6.038 50 10 JKGE Brc1ccc(OCc2ccccc2)c([C@@H](Br)C2(Br)CC2)c1 1886847122 OMZVIKIJIVXATL-MRXNPFEDSA-N 475.018 6.392 50 10 JKGE Fc1cc(Br)c2nc(CCl)n([C@@H]3CCOC[C@H]3OCc3ccccc3)c2c1 1912679486 DYKRYBHRXZVROM-SJLPKXTDSA-N 453.739 5.224 50 10 JKGE COc1ccc(Br)cc1[C@@H](Br)c1c(C)nsc1Br 1912972271 HDFRCRHYMMZQOV-LLVKDONJSA-N 455.997 5.469 50 10 JKGE C[C@@H](CCl)N(Cc1ccccc1)c1ncc(C(F)(F)F)cc1I 1914338146 VOKJHGICQJEPBF-NSHDSACASA-N 454.661 5.339 50 10 JKGE O=C(c1c(Br)cccc1Br)N(CCCBr)Cc1ccccc1 1914620705 SFLKNZXFOWZHDI-UHFFFAOYSA-N 490.033 5.639 50 10 JKGE O=C(c1c(F)cc(Br)cc1F)N(Cc1ccccc1)[C@H](CBr)C1CC1 1915263954 JIHNRKUBDXVVFQ-QGZVFWFLSA-N 473.155 5.543 50 10 JKGE Cc1cc([C@@H](Br)c2cc3c(cc2Br)OCC3)oc1Br 1917605420 YETSYJXPDYDSBS-ZDUSSCGKSA-N 450.952 5.532 50 10 JKGE Cc1c(Br)sc([C@H](Br)[C@H](C)CC(F)(F)F)c1Br 1922894473 LMUXDBJKLZYZHR-INEUFUBQSA-N 458.963 6.606 50 10 JKGE Cc1c(Br)sc([C@@H](Cl)c2cc(F)ccc2Br)c1Br 1922946901 WNQFNGZAMXOJTP-JTQLQIEISA-N 477.418 6.811 50 10 JKGE CCCCCC[C@@H](Cl)c1c(Br)sc(Br)c1Br 1924579126 AIKYIGXCLMYSFC-SSDOTTSWSA-N 453.465 7.286 50 10 JKGE Cc1ccc([C@@H](Cl)c2c(Br)sc(Br)c2Br)cc1 1924580661 UFIWWNROIANYQT-SNVBAGLBSA-N 459.428 6.672 50 10 JKGE C[C@@H]1COc2ccc([C@@H](Br)c3csc(Br)c3Br)cc21 1925682979 AWTXFWAJPBEAMW-JMCQJSRRSA-N 467.020 6.253 50 10 JKGE O=C(N[C@H](CBr)CC1CCCCC1)c1scc(Br)c1Br 1926720391 HEFKQLNFLPSVFK-JTQLQIEISA-N 488.083 5.737 50 10 JKGE Cc1c(Br)sc([C@@H](Cl)c2cc(Cl)c(Cl)s2)c1Br 1950178136 QPGUYTACKMKXRM-ZETCQYMHSA-N 455.451 7.278 50 10 JKGE Cl[C@@H](c1c(Br)sc(Br)c1Br)[C@H]1CC2(CC2)CO1 2001646583 MQWPCVLCUFKVFV-SVGQVSJJSA-N 465.432 5.885 50 10 JKGE CN(c1ccc(Br)cc1CBr)[C@@H]1CN(Cc2ccccc2)C(C)(C)C1 2037332861 UZVGEBZWUNDMQE-IBGZPJMESA-N 466.261 5.833 50 10 JKGE Brc1cc([C@@H](Br)c2cc3c(cc2Br)OCC3)ns1 2056496282 NLCLLYVVRGWGMQ-LBPRGKRZSA-N 453.981 5.087 50 10 JKGE CO[C@@H]1C[C@H]([C@H](Br)c2sc(Br)cc2Br)C12CCC2 2070182704 UMPDRRQTNVSMFA-ZOFUNIGCSA-N 459.041 5.914 50 10 JKGE C[C@@]1(CCOCc2ccccc2)CCN1c1c(CBr)ccc(Br)c1Cl 2077099316 DCRMNLVMHYLBDQ-FQEVSTJZSA-N 487.663 6.573 50 10 JKGE COc1cc(F)c([C@@H](Br)c2cscc2Br)cc1Br 2082790126 YQYGPXSRPSOCJC-GFCCVEGCSA-N 458.972 5.905 50 10 JKGE O=C(NC1(CCBr)CCSCC1)c1csc(Br)c1Br 2093941701 AIJLMKUSBHMZFW-UHFFFAOYSA-N 492.096 5.054 50 10 JKGE COc1c(C)cc(Br)c(C)c1[C@H](Br)c1cscc1OCc1ccccc1 2100091779 LUYZEQGWSKVCOV-HXUWFJFHSA-N 496.264 7.199 50 10 JKGE Fc1c(Br)ccc(C[C@H](Br)c2ccccc2Br)c1F 2113448085 XAJNIZHXLZYACK-LBPRGKRZSA-N 454.934 6.169 50 10 JKGE CCc1cc([C@H](Br)c2cc(Br)c(Br)s2)c(F)cc1F 2118756774 ZBEMEYSNLBAICI-LBPRGKRZSA-N 474.990 6.598 50 10 JKGE Cc1cc(CBr)ccc1S(=O)(=O)N(CCC(F)(F)F)Cc1ccccc1 2123200724 MDHTYJPYUPVAGZ-UHFFFAOYSA-N 450.320 5.033 50 10 JKGE COc1c(Br)cc(C)cc1[C@H](Br)c1scc(C)c1Br 2139017441 UGWUKRQAGARUFT-LBPRGKRZSA-N 469.036 6.383 50 10 JKGE CCOc1ccc(Br)cc1[C@@H](Cl)c1cccc(Br)c1Br 2148751283 PSDARNVTAJJGLW-HNNXBMFYSA-N 483.425 6.701 50 10 JKGE COCCCCN(Cc1ccccc1)S(=O)(=O)c1cc(CCl)cc(Br)c1C 2152210647 BGLUCDYXYQZMLH-UHFFFAOYSA-N 474.848 5.114 50 10 JKGE Fc1cc(Br)cc(CBr)c1OCc1cc(Cl)cc(Br)c1 2166824656 KQYOLJWNISZMBD-UHFFFAOYSA-N 487.388 6.478 50 10 JKGE C[C@@]12CN(Cc3ccccc3)C[C@]1(C)CN(c1cc(Br)cc(F)c1CCl)C2 2170686294 WDPUJQMFTXBMTO-SZPZYZBQSA-N 451.811 5.675 50 10 JKGE COc1cc(C)c([C@H](Cl)c2c(Br)cccc2Br)cc1Br 2198737303 NWCCZDODXRHOGD-HNNXBMFYSA-N 483.425 6.619 50 10 JKGE Cc1c([C@H](Br)c2c(Br)cc(F)c(Cl)c2F)nn(C)c1Br 2201621792 OQTDPVZSIAXJDQ-MRVPVSSYSA-N 493.371 5.669 50 10 JKGE COc1cc(Cl)c([C@@H](Br)c2cc(C)cc(Br)c2)cc1Br 2202349549 ZWLGYSDMUOUUJQ-HNNXBMFYSA-N 483.425 6.666 50 10 JKGE COc1cc(F)c([C@H](Cl)c2cccc(C)c2I)cc1Br 2202914530 WBQFZYZEPDKSDG-CQSZACIVSA-N 469.519 5.838 50 10 JKGE Cc1sc(Br)c(C)c1[C@H](Br)c1csc(I)c1 2210562941 XURXXCPXVCPRGW-SNVBAGLBSA-N 492.039 6.278 50 10 JKGE C[C@@H]1CC[C@H](c2sc(Br)c(Br)c2Br)C[C@@H]1Cl 2212199325 BHBOINKMENVGMS-VQVTYTSYSA-N 451.449 6.547 50 10 JKGE Fc1ccc(C(CBr)(CBr)Cc2cscc2Br)cc1 2227115179 JEOBTXZTCRGYKX-UHFFFAOYSA-N 471.027 5.920 50 10 JKGE CC(F)(F)C1([C@@H](Br)c2c(Br)cc(Cl)c(Cl)c2Cl)CCC1 2232517673 VJFUOPHYDUXYFF-NSHDSACASA-N 471.394 7.671 50 10 JKGE CCc1nc([C@H](Cl)c2c(Br)cc(C)c(Cl)c2C)c(Br)s1 2232527826 FPUVWOPZRLMVJN-GFCCVEGCSA-N 458.046 6.829 50 10 JKGE COc1cc2c(cc1Br)nc(CCl)n2C[C@H]1CC1(Br)Br 2233041810 VCZQRZYVTZLYDJ-SSDOTTSWSA-N 487.417 5.052 50 10 JKGE C[C@@]1(c2cc(Br)c(Br)s2)CC[C@](C)(CI)O1 2243273372 CMQHODWYKSVXDE-MNOVXSKESA-N 480.003 5.492 50 10 JKGE C[C@H](Cl)c1nc2cnc(C3CC3)nc2n1CCCN(Cc1ccccc1)Cc1ccccc1 2271064695 DSDUWVRDINIAHU-FQEVSTJZSA-N 460.025 6.096 50 10 JKGE Fc1cc(Br)c(F)c(Br)c1[C@H](Br)[C@H]1CCCC12CC2 2272856480 XKEBHMHAAHMXHP-RDDDGLTNSA-N 458.966 6.506 50 10 JKGE CCc1nc([C@@H](Cl)Cc2cc(Br)cc(Br)c2)c(Br)s1 2277961816 YNEJQOAIYDUSPU-JTQLQIEISA-N 488.470 6.516 50 10 JKGE COc1cc(C)c(Br)c(C)c1[C@@H](Br)c1cc(C)c(Br)o1 2285063357 HWGLVPGPORZVSO-AWEZNQCLSA-N 466.995 6.223 50 10 JKGE COc1ccc(Br)cc1[C@@H](Br)c1cc(Br)c(F)cc1Cl 2285940830 DFHAYVRWFXIEDP-AWEZNQCLSA-N 487.388 6.497 50 10 JKGE Fc1ccc(Br)c([C@@H](Cl)c2c(F)cc(Br)c(F)c2Br)c1 2288496192 FBZHRRJUFFFMEI-GFCCVEGCSA-N 493.342 6.720 50 10 JKGE Fc1ccc([C@@H](CI)OCc2cc(Br)ccc2Cl)cc1 2295173383 KNOUBVWVQCBOOE-OAHLLOKOSA-N 469.519 5.935 50 10 JKGE Cc1ccccc1[C@H](CI)OCc1cc(Br)ccc1Cl 2295174048 TZYBUFDELONIKJ-INIZCTEOSA-N 465.556 6.104 50 10 JKGE COc1cc([C@@H](Cl)Cc2cc(Br)cc(Br)c2)ccc1Br 2295332785 BEPZEZAFIXWMBX-AWEZNQCLSA-N 483.425 6.505 50 10 JKGE Brc1cc(Br)cc(C[C@H](Br)c2ccc3sncc3c2)c1 2295334948 CUZMLVHEXHEPTI-AWEZNQCLSA-N 476.031 6.500 50 10 JKGE CC(C=NNC(=O)CSc1nc2ccccc2n1Cc1ccc(Cl)cc1)=Cc1ccccc1 2297304166 MOWYVQVZQGKRBU-UHFFFAOYSA-N 475.017 6.036 50 10 JKGE COc1cc(C=C(C#N)C(=O)Nc2nc3ccccc3s2)ccc1OCCSc1ccccc1 2297500268 WDUOXKTXRUYCRC-UHFFFAOYSA-N 487.606 6.022 50 10 JKGE COc1cc(C=C(C#N)C(=O)Nc2ccc([N+](=O)[O-])cc2C)ccc1OCc1cccc2ccccc12 2297551625 VBPOQDZPFVMKEV-UHFFFAOYSA-N 493.519 6.190 50 10 JKGE Brc1cc(OCc2ccccc2)ccc1[C@H](Br)[C@@H]1CCC[C@H]2C[C@H]21 2299504249 LVDUIPLBSBVHBC-GIOGAUJUSA-N 450.214 6.900 50 10 JKGE Brc1cc(OCc2ccccc2)ccc1[C@@H](Br)[C@H]1CCC2(CC2)C1 2299508517 JZERBHWNLAWPMI-JXFKEZNVSA-N 450.214 7.044 50 10 JKGE Brc1ccc(OCc2ccccc2)c([C@H](Br)[C@H]2CCCC23CC3)c1 2299527279 GINABTJHTBLHIH-QUCCMNQESA-N 450.214 7.044 50 10 JKGE C[C@@H]1C[C@@H]1[C@@H]1C[C@H]1[C@@H](Br)c1cc(Br)ccc1OCc1ccccc1 2299530188 JVPKLGUTMDQSGI-KMYJYHJKSA-N 450.214 6.756 50 10 JKGE Cc1sc([C@@H](Br)c2sc(Cl)cc2I)c(C)c1C 2300949760 QEGRRBILLMHTSV-SNVBAGLBSA-N 461.615 6.477 50 10 JKGE FC(F)(F)C(F)(F)C[C@@H](Br)c1sc(Cl)cc1I 2300997318 GKWLVMCNGJAYAS-GSVOUGTGSA-N 469.438 6.030 50 10 JKGE Cc1sc(C(=O)N[C@H](CCBr)COCc2ccccc2)c(C)c1Br 2303544169 ZRHZMGSTYBKFIG-OAHLLOKOSA-N 475.246 5.228 50 10 JKGE COc1sc([C@H](Br)c2csc(C)c2Br)cc1Br 2303644629 TVBGAENNFGQTNR-SNVBAGLBSA-N 461.038 6.136 50 10 JKGE Cc1ccc(NC(=O)C(C#N)=Cc2ccc(-c3ccc([N+](=O)[O-])cc3Br)o2)cc1 2313511185 SNMTYEMBCWTKRY-UHFFFAOYSA-N 452.264 5.471 50 10 JKGE CCOc1cc(C=C(C#N)C(=O)Nc2cccc(Cl)c2Cl)cc(Br)c1OCC#N 2313570848 HRERRHWRKYFSNR-UHFFFAOYSA-N 495.160 5.603 50 10 JKGE N#CC(=Cc1cc(Br)ccc1OCc1ccccc1)C(=O)Nc1ccc(Cl)cc1 2313631948 ZPSZJEADQIRQQA-UHFFFAOYSA-N 467.750 6.227 50 10 JKGE Cc1cccc(NC(=O)C(C#N)=Cc2cc(Br)ccc2OCc2cccc(Cl)c2)c1 2313636526 BVYMSUHHJTVXCH-UHFFFAOYSA-N 481.777 6.536 50 10 JKGE Brc1ccc(OCc2ccccc2)c([C@H](Br)[C@]23CCC[C@H]2OCC3)c1 2314451784 HXDCHCOKRDIWJO-HKBOAZHASA-N 466.213 6.423 50 10 JKGE CCCOc1cccc(-c2nn(-c3ccccc3)cc2C=C(C#N)S(=O)(=O)c2ccc(C)cc2)c1 2314476073 ICJVPGXVSLLQIU-UHFFFAOYSA-N 483.593 5.975 50 10 JKGE CCCOc1ccc(-c2nn(-c3ccccc3)cc2C=C(C#N)C(=O)NC[C@H]2CCCO2)cc1Cl 2314476333 MXJLCSBSHYXQJD-HSZRJFAPSA-N 490.991 5.184 50 10 JKGE CCCCCCCOc1ccc(C=C2C(=O)N(CCCOC(C)C)C(=O)C(C#N)=C2C)cc1OCC 2314618370 MDGOXPCVKDJINC-UHFFFAOYSA-N 496.648 5.842 50 10 JKGE CCOCCCN1C(=O)C(=Cc2ccc(OCc3ccc(Cl)cc3Cl)cc2)C(C)=C(C#N)C1=O 2314618939 XBOMXDGRRABKBO-UHFFFAOYSA-N 499.394 5.591 50 10 JKGE CC1=C(C#N)C(=O)N(Cc2ccccc2Cl)C(=O)C1=Cc1ccc(-c2cccc(Cl)c2Cl)o1 2314620386 OZTUHAURUXYJCB-UHFFFAOYSA-N 497.765 6.699 50 10 JKGE COc1cc(C=C(C#N)c2ccc(Cl)cc2)ccc1OC(=O)COc1ccccc1Cl 2314717178 QSZZKYYLZKZWAI-UHFFFAOYSA-N 454.309 6.051 50 10 JKGE CCCCOc1ccc(C=C(C#N)C(=O)Nc2nc(-c3ccc4c(c3)CCCC4)cs2)cc1 2314792813 FXGFMRXHHIBWGY-UHFFFAOYSA-N 457.599 6.413 50 10 JKGE Fc1c(Br)cc(Cl)c([C@@H](Cl)c2ccoc2Br)c1Br 2315439660 HVTDETVZZHHBRC-VIFPVBQESA-N 481.768 6.688 50 10 JKGE CCOc1cc(C=NNC(=O)c2ccc(C)cc2)ccc1OCc1ccc(Cl)cc1Cl 2318413800 VMCWSXXMXKCJPS-UHFFFAOYSA-N 457.357 6.043 50 10 JKGE CCCCC1CCC(C(=O)Oc2ccc(C=C(C#N)c3ccc(OC)c(OC)c3)cc2OC)CC1 2320506291 GLEPAQIJNXWULG-UHFFFAOYSA-N 477.601 6.679 50 10 JKGE COc1ccc2ccccc2c1C=NNC(=O)c1ccc2nc(-c3ccccc3Cl)[nH]c2c1 2323744341 UHCDZSKHLTXGNT-UHFFFAOYSA-N 454.917 5.809 50 10 JKGE Fc1cc([C@@H](Br)c2cc(Br)sc2Br)c(Cl)cc1Cl 2326684410 BBQGFQMUYZYZFS-SNVBAGLBSA-N 497.836 7.203 50 10 JKGE COC(=O)c1c(NC(=O)C(C#N)=Cc2ccc(F)cc2)sc(C)c1-c1ccc(Br)cc1 2329639426 SRQOQCJYMTYBMU-UHFFFAOYSA-N 499.361 5.957 50 10 JKGE N#CC(=Cc1cccc(Br)c1)C(=O)NC1(c2ccc(Br)cc2)CCC1 2329694393 BKYJBDBIHAEZBY-UHFFFAOYSA-N 460.169 5.314 50 10 JKGE N#CC(=C(O)Cc1ccc(Br)cc1)c1nc(-c2ccc(Br)cc2)cs1 2331260110 HEEWCRCVVNORHY-UHFFFAOYSA-N 476.193 6.370 50 10 JKGE COc1ccc(OCC(O)=C(C#N)c2nc(-c3cccc(Cl)c3)cs2)c(C(C)(C)C)c1 2331294114 RIOYKTUQRYLMOQ-UHFFFAOYSA-N 454.979 6.641 50 10 JKGE CCc1cccc(C)c1N1C[C@H](C(O)=C(C#N)c2nc(-c3cc(OC)ccc3OC)cs2)CC1=O 2331325966 KPOOBQBAEBFTJJ-GOSISDBHSA-N 489.597 5.544 50 10 JKGE COc1c(C)cc(C)cc1-c1csc(C(C#N)=C(O)c2ccccc2C(=O)c2ccccc2)n1 2331371758 HLKFHVGKDDZVHE-UHFFFAOYSA-N 466.562 6.616 50 10 JKGE COc1cc(OC)cc(C(O)=C(C#N)c2nc(-c3cc(OC)c(Cl)cc3OC)cs2)c1 2331377226 ZIOIGRQOUPNIRX-UHFFFAOYSA-N 458.923 5.448 50 10 JKGE N#CC(=Cc1ccc(OC(=O)c2ccccc2)cc1)c1nc(-c2cccc([N+](=O)[O-])c2)cs1 2331416035 IFNXXSXLCUYXRM-UHFFFAOYSA-N 453.479 6.002 50 10 JKGE N#CC(=Cc1ccc(OCc2ccc(Cl)cc2Cl)cc1)c1nc(-c2ccc(F)c(F)c2)cs1 2331463964 JROTWLXUPWZKNC-UHFFFAOYSA-N 499.369 8.038 50 10 JKGE CCCCOc1ccc(C=C(C#N)c2nc(-c3ccc(OC)c(Cl)c3)cs2)cc1OC 2331484723 NXHKYKZHZMIQMF-UHFFFAOYSA-N 454.979 6.724 50 10 JKGE Brc1cc(OCc2ccccc2)ccc1[C@@H](Br)[C@H]1CCn2nccc2C1 2336077044 DWLLYILTIWIYJK-KKSFZXQISA-N 476.212 5.923 50 10 JKGE Fc1c(Br)cc(Cl)c([C@H](Br)C2(CC3CC3)CC2)c1Br 2337085818 DOHJCIKQIWUWAV-ZDUSSCGKSA-N 475.421 7.020 50 10 JKGE C[C@@H]1COCC[C@@H]1[C@@H](Br)c1c(Cl)cc(Br)c(F)c1Br 2337091792 HFFJDTPMWFEYMN-PTZCXBDSSA-N 479.409 6.113 50 10 JKGE Clc1ccc(CN2[C@H](CBr)C[C@@H]3CCC[C@@H]32)c(I)c1 2341011366 SCXKTBOTTSIRQQ-XEGUGMAKSA-N 454.577 5.083 50 10 JKGE CC(C)[C@@H]1CC[C@H](Br)[C@H](Cc2ccc(Cl)cc2I)C1 2341028125 RVBMGTTVUQGILN-ZLDLUXBVSA-N 455.605 6.323 50 10 JKGE ClC[C@H](NCc1ccc(I)c(Br)c1)c1ccccc1 2349831359 SPFMJEJHALDXRV-HNNXBMFYSA-N 450.545 5.123 50 10 JKGE Clc1cccc([C@@H](Br)CCc2cc(I)ccc2Cl)c1 2352416749 ZAPRVLUNSLGOLF-AWEZNQCLSA-N 469.975 6.667 50 10 JKGE CC1=C(C)C[C@](CBr)(Cc2cc(I)ccc2Cl)CC1 2352424168 PLAQSBYPUZODOZ-INIZCTEOSA-N 453.589 6.389 50 10 JKGE Brc1ccc(Br)c([C@@H](Br)[C@@H]2C[C@H]2C2CCCCCC2)c1 2357682096 DZICBRPAHYSMQZ-VBQJREDUSA-N 465.067 7.254 50 10 JKGE CCc1nn(-c2ccc(C)c(Cl)c2CBr)c(CC)c1I 2360552131 XEMZQFSJRSOCFV-UHFFFAOYSA-N 467.576 5.458 50 10 JKGE CO[C@]1(C(F)(F)F)C[C@H]([C@H](Cl)c2cc(Br)ccc2OCc2ccccc2)C1 2361172887 RABGAFOJZTVLHX-ZOCIIQOWSA-N 463.721 6.666 50 10 JKGE Fc1c(Br)cc(Cl)c([C@@H](Br)[C@H]2[C@@H]3[C@H]2CCC3(F)F)c1Br 2362227871 KIJFGNQCUFCPLG-BTSKXAQDSA-N 497.374 6.731 50 10 JKGE C[C@@H]1O[C@H](C)[C@H]([C@H](Br)c2c(Cl)cc(Br)c(F)c2Br)[C@@H]1C 2362231708 YKGXCPZDNMBQMH-BMDWXNKYSA-N 493.436 6.500 50 10 JKGE COc1c(Br)cc(C)c([C@@H](Br)[C@@H]2CCCC23CC3)c1Br 2365188517 MBLTZVRNBSUWRI-GWCFXTLKSA-N 467.039 6.545 50 10 JKGE CCc1ccccc1[C@H](Br)c1c(C)cc(Br)c(F)c1Br 2365216481 UYXDTPZRWGWLBM-AWEZNQCLSA-N 464.998 6.706 50 10 JKGE Clc1ccc(I)cc1CN1C[C@H](Br)C[C@@H]2CCCC[C@@H]21 2380531783 UNOUAHZTYUJYKZ-GHJWDPDVSA-N 468.604 5.473 50 10 JKGE C[C@]1(NCc2ccc(I)c(Br)c2)C[C@H]2CC[C@H]1C[C@@H]2Cl 2381108492 FVNOCIQMLNZSBR-DSPQJCBJSA-N 468.604 5.329 50 10 JKGE N#C/C(=C/c1c(OCc2ccccc2)ccc2ccccc12)S(=O)(=O)c1ccc(Cl)cc1 1915725 SSMBGZSVBUCXST-KQWNVCNZSA-N 459.954 6.411 50 10 JKGE N#C/C(=C\c1ccc(Oc2ccc(C(F)(F)F)cc2[N+](=O)[O-])cc1)c1ccc(C(=O)O)cc1 2883039 LHCGJIUUEBLOMF-GZTJUZNOSA-N 454.360 6.168 50 10 JKGE COc1cc(/C=C(/C#N)c2ccc(Cl)cc2)ccc1OC(=O)CC(c1ccccc1)c1ccccc1 31902139 RWNNZHWBSSCQBF-ITYLOYPMSA-N 493.990 7.540 50 10 JKGE COc1cc(/C=C(/C#N)c2ccc(Cl)cc2)ccc1OC(=O)/C=C/c1ccc(Cl)cc1Cl 31902182 BIBYGUKVZKMIIS-RILVCTJFSA-N 484.766 7.338 50 10 JKGE COc1cc(/C=C(/C#N)c2cccc(Cl)c2)ccc1OC(=O)CC(c1ccccc1)c1ccccc1 31902360 SWTTULAFCZUKQI-ONUIUJJFSA-N 493.990 7.540 50 10 JKGE N#C/C(=C/C1=C(N2CCOCC2)/C(=C\c2ccccc2)CC1)C(=O)Nc1cccc(C(F)(F)F)c1 34846740 CRSSXBGDMIKGBK-MLCVWVIHSA-N 479.502 5.558 50 10 JKGE N#C/C(=C\c1cn(-c2ccccc2)nc1-c1cccc([N+](=O)[O-])c1)c1nc(O)c2ccccc2n1 34983722 AIEHMSARRTVEML-QGOAFFKASA-N 460.453 5.160 50 10 JKGE Cc1ccc(C)c(N2C(=O)CS[C@@H]2c2cccc(NC(=O)[C@@H](Cl)c3ccccc3)c2)c1 35910802 UNNHFTJYUHYBIP-UKILVPOCSA-N 450.991 6.001 50 10 JKGE COc1ccccc1OCC(=O)Oc1ccc2c(c1)OC(N)=C(C#N)[C@H]2c1cccc2ccccc12 38657696 QNBCRKPEPZLFRT-NDEPHWFRSA-N 478.504 5.051 50 10 JKGE CCc1ccc(O[C@H](C)C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@H]3c2ccc(SC)cc2)cc1 38682561 QUJONRUBTIQAMW-QUGAMOGWSA-N 486.593 5.562 50 10 JKGE COc1ccccc1[C@@H]1C(C#N)=C(N)Oc2cc(OC(=O)c3oc4cc(C)cc(C)c4c3C)ccc21 38687276 CVNSMXGMGQBUQU-SANMLTNESA-N 480.520 5.804 50 10 JKGE O=C(CCCc1c(-c2ccc3ccccc3n2)[nH]c2ccccc12)NNC(=O)c1ccccc1Cl 39867148 SWKILWCVQZEJCE-UHFFFAOYSA-N 482.971 5.820 50 10 JKGE Cc1c(C(=O)Nc2ccc(Cl)c(Cl)c2)oc2c1/C(=N/NC(=O)c1ccc(Cl)cc1)CCC2 40811638 MFKPLYUYZUFTFM-MTDXEUNCSA-N 490.774 6.271 50 10 JKGE Cc1c(C(=O)Nc2cccc3ncccc23)oc2c1/C(=N/NC(=O)c1cccc(Cl)c1)CCC2 40813383 RHYRLOFJETUAKE-MWAVMZGNSA-N 472.932 5.512 50 10 JKGE CCCCc1ccc(NC(=O)c2oc3c(c2C)/C(=N/NC(=O)c2cccc(OC)c2)CCC3)cc1 40822171 ZDTXJLSZPQRMAE-JJKYIXSRSA-N 473.573 5.662 50 10 JKGE Cc1ccc2c(CC(=O)N/N=C3\CCCc4oc(C(=O)Nc5ccccc5F)c(C)c43)coc2c1C 40826605 LXIFZFMRCINFJS-DFKUXCBWSA-N 487.531 5.742 50 10 JKGE COc1cc(/C=C(/C#N)C(=O)NCCc2ccccc2)cc(Br)c1OCc1ccccc1 40889458 HTMHGDPXBUPPSE-HMAPJEAMSA-N 491.385 5.303 50 10 JKGE CC(C)(C)c1cc(Br)ccc1OCC(=O)N/N=C/c1cccc(Br)c1 40902733 BSMGMAFKAIWOAP-SSDVNMTOSA-N 468.189 5.038 50 10 JKGE CCCCCOc1ccc(/C=N/NC(=O)CSc2nnc(-c3ccccc3)s2)cc1OC 40947696 DJWIFOQIPBVYSP-BUVRLJJBSA-N 470.620 5.025 50 10 JKGE CCCOc1ccccc1/C=C(\C#N)C(=O)Nc1scc(-c2ccc(C)cc2C)c1C(=O)OCC 41018293 MCJMETHKJZCHKU-RCCKNPSSSA-N 488.609 6.543 50 10 JKGE C=CCc1cc(/C=C(\C#N)C(=O)N2CCN(c3ccccc3)CC2)ccc1OCc1ccc(Cl)cc1 59333251 LBHRZLXATATYQB-LHLOQNFPSA-N 498.026 5.903 50 10 JKGE O=C(CSc1nnc(CNc2ccccc2)n1-c1ccccc1)N/N=C/c1cccc2ccccc12 59475331 FFHCANFWHSCAMT-UXHLAJHPSA-N 492.608 5.275 50 10 JKGE CC(C)(C)C(=O)N/C(=C/Sc1ccccn1)[P+](c1ccccc1)(c1ccccc1)c1ccccc1 100472430 FJBLHQYZSFXXED-VYIQYICTSA-O 497.624 6.129 50 10 JKGE CCCCCCCCCCCCCCCCNc1ncnc(NNC(=O)c2ccco2)c1N 101531880 PWQXGAJPBQBHBR-UHFFFAOYSA-N 458.651 6.302 50 10 JKGE CCOC(=O)c1c(N/C=C(\C#N)c2nc(-c3ccc4ccccc4c3)cs2)sc(C)c1C 102924769 GCFJTDUHXIFQQX-DEDYPNTBSA-N 459.596 6.795 50 10 JKGE Fc1cc(Br)cc(C[C@H](CBr)c2ccc(Br)cc2)c1 125112025 LGHPLAHPUNFTNJ-GFCCVEGCSA-N 450.971 6.072 50 10 JKGE Brc1cccc([C@@H](Br)c2csc3c(Br)cccc23)c1 163399979 RJCUTPXBISENQB-CQSZACIVSA-N 461.016 6.911 50 10 JKGE COc1cc(F)c(Br)cc1[C@H](Br)Cc1cccc(Br)c1 234910820 NFKWXMCLTPFIPT-GFCCVEGCSA-N 466.970 6.038 50 10 JKGE Cc1cc([C@@H](Br)c2cc(Cl)cc(Br)c2)c(C)cc1Br 235862865 GOXKETQQMRUTQJ-HNNXBMFYSA-N 467.426 6.966 50 10 JKGE Cc1cc(C=NNC(=O)c2ccccc2-n2cccc2)c(C)n1-c1ccc(Cl)c(Cl)c1 252611912 IOIQXSIXBLTXOI-UHFFFAOYSA-N 451.357 5.956 50 10 JKGE COc1ccccc1C=NNC(=O)c1ccc(-n2c(-c3ccccc3)ccc2-c2ccccc2)cc1 254571848 IEGCJJSVMPEBJU-UHFFFAOYSA-N 471.560 6.584 50 10 JKGE CCC(=NNC(=O)c1cc(-c2ccc(OC(C)C)cc2)nc2ccccc12)c1cc(O)ccc1O 254827117 IREHLTJMXCEAHI-UHFFFAOYSA-N 469.541 5.644 50 10 JKGE C[C@@H](Cl)c1nc2cc(I)ccc2n1[C@H]1CCCN(Cc2ccccc2)C1 311252137 LSLZJYWZEUKZGN-QAPCUYQASA-N 479.793 5.778 50 10 JKGE CCOc1ccc([C@H](Br)c2cccc(OCc3ccccc3)c2)c(Br)c1 312045919 YZZWFXRLEODBOQ-JOCHJYFZSA-N 476.208 6.911 50 10 JKGE Cc1cc(F)c([C@@H](Cl)c2cc(Br)ccc2I)cc1Cl 395825133 SOIXOGFDYOYIKS-CQSZACIVSA-N 473.938 6.483 50 10 JKGE CC(C)(C)[Si](C)(C)OCCc1ccc([C@H]2CCN(CCO[Si](C)(C)C(C)(C)C)CCO2)cc1 616595611 NWORORDLTAPBEO-RUZDIDTESA-N 493.881 7.036 50 10 JKGE FC(F)(F)c1cnc(N(CCBr)Cc2ccccc2)c(I)c1 686111516 JQGNGUGRIKYYCD-UHFFFAOYSA-N 485.085 5.107 50 10 JKGE Fc1ccc2nc(CCl)n(CCCOCCOCc3ccccc3)c2c1Br 701656105 KXRFXXOEGWNKJF-UHFFFAOYSA-N 455.755 5.300 50 10 JKGE COc1ccc([C@H](Cl)c2scc(Br)c2Br)c(OC)c1Cl 707844755 UWTVLSYNXRFPCE-JTQLQIEISA-N 461.002 6.272 50 10 JKGE CC(=O)Oc1ccc(-n2c(C)cc(/C=C(\C#N)C(=O)Nc3cccc(Cl)c3Cl)c2C)cc1 1083924605 IXSBGNXGSOZCOC-LDADJPATSA-N 468.340 5.872 50 10 JKGE O=C(CSCc1ccc(Cl)cc1)NN=C1C(=O)N(C/C=C\c2ccccc2)c2ccccc21 1083971800 BNKOMPZZBXFFQO-CUPHYTQISA-N 476.001 5.154 50 10 JKGE COc1ccc(C(=O)NN=C(C)c2ccc3c(c2)[C@@H]2C=CC[C@@H]2[C@H](c2ccc(F)cc2)N3)cc1 1084011898 KXEMCOGBGPSCDE-DXBVXKBHSA-N 455.533 5.815 50 10 JKGE O=C(COc1ccc(C2CCCCC2)cc1)NN=C1C(=O)N(Cc2ccccc2F)c2ccccc21 1084285955 GUBCENODPIIUPD-UHFFFAOYSA-N 485.559 5.320 50 10 JKGE Cc1ccc(COc2c(Br)cc(/C=C(\C#N)C(=O)N(C)C)cc2Br)cc1 1084623243 ULLQBZBXUDXODA-LZYBPNLTSA-N 478.184 5.094 50 10 JKGE CC(C)(C)c1ccc([C@@H]2CN(C(=O)OCc3ccccc3)C[C@@H]2CI)cc1 1614810745 MEXSXMSCAXZUDQ-FPOVZHCZSA-N 477.386 5.771 50 10 JKGE Cc1c(C(=O)Nc2ccccc2F)oc2c1C(=NNC(=O)c1ccc(-c3ccccc3)cc1)CCC2 1772746442 FNTDTVJSGOWHFB-UHFFFAOYSA-N 481.527 6.117 50 10 JKGE CCCCOc1ccc([C@H]2C(C#N)=C(N)Oc3c2c(CC)nn3Cc2ccc(C)cc2)cc1OCC 1865686911 DWTYTRJEPYNEIB-SANMLTNESA-N 486.616 5.598 50 10 JKGE CCCOc1ccc([C@H]2C(C#N)=C(N)Oc3c2c(CCC)nn3-c2ccccc2)cc1OCC 1865688526 UIZQVRUKOKZDHC-DEOSSOPVSA-N 458.562 5.230 50 10 JKGE CCCCOc1ccc([C@H]2C(C#N)=C(N)Oc3c2c(-c2ccc(OC)cc2)nn3CCC)cc1OC 1865696193 CRILJADXXRUWIX-DEOSSOPVSA-N 488.588 5.374 50 10 JKGE CCOC(=O)c1c(NC(=O)/C(C#N)=C/c2ccccc2)sc(C)c1-c1ccc(Br)cc1 1865911537 QCKVPFVWLFDXHJ-QGOAFFKASA-N 495.398 6.208 50 10 JKGE Cc1ccc(OC/C(O)=C(\C#N)c2nc(-c3ccc4c(c3)CCCC4)cs2)c(C(C)(C)C)c1 1872745128 BYMJQLJVFQDXQZ-LVWGJNHUSA-N 458.627 7.167 50 10 JKGE Cc1c(/C(O)=C(\C#N)c2nc(-c3ccc4c(c3)CCCC4)cs2)cc([N+](=O)[O-])cc1[N+](=O)[O-] 1872745698 ZDHWCDILXDHJDE-QOCHGBHMSA-N 462.487 5.764 50 10 JKGE CC(C)(C)c1ccc(C(=O)NC/C(O)=C(\C#N)c2nc(-c3ccccc3Cl)cs2)cc1 1872746376 FGOFDZCXRMWMHN-UZYVYHOESA-N 451.979 5.984 50 10 JKGE CCCCc1ccc(N2C[C@@H](/C(O)=C(\C#N)c3nc(-c4cccc5ccccc45)cs3)CC2=O)cc1 1872751974 JLMXEMWTJNCMJS-RPHWMWBOSA-N 493.632 7.152 50 10 JKGE N#C/C(=C(/O)c1ccc(N2CCCC2)c([N+](=O)[O-])c1)c1nc(-c2c[nH]c3ccccc23)cs1 1872753035 FCDHOAIKLUPBFA-QJOMJCCJSA-N 457.515 5.750 50 10 JKGE COC(=O)c1ccc(/C=C/C(O)=C(\C#N)c2nc(-c3cc(C(C)(C)C)ccc3C)cs2)cc1 1872755976 OTLGKRLDDNJAPF-JURBMKICSA-N 458.583 6.709 50 10 JKGE CCOc1ccc(/C=C(C(/O)=C(\C#N)c2nc(-c3ccc(C)c(C)c3)cs2)\c2ccccc2)cc1 1872756211 FSNYDZHSZOMZCK-YLOUKKIVSA-N 478.617 7.859 50 10 JKGE CCOc1c(Br)cc(/C=C(\C#N)c2nc(-c3ccc(C)c(C)c3)cs2)cc1OC 1872793745 QRYGEUQLSXTEAE-GIJQJNRQSA-N 469.404 6.661 50 10 JKGE Cc1cc(Br)c([C@H](Br)C2(C(C)(C)C)CCC2)cc1Br 1876771859 KOTSYNHEODZHFG-AWEZNQCLSA-N 453.056 7.172 50 10 JKGE Brc1cc(Br)c([C@H](Br)[C@@H]2C[C@@H]2Br)s1 1877359171 FSNKESFTWBPDOR-XZFOZZDRSA-N 453.819 5.493 50 10 JKGE Cc1cc(Br)c(F)c(C(=O)N(Cc2ccccc2)C2(CBr)CCC2)c1 1915749933 QOQQRBSITHTXAJ-UHFFFAOYSA-N 469.192 5.857 50 10 JKGE Cc1cc([C@@H](Br)c2ccc(Br)c3ccccc23)oc1Br 1917612457 MGJYPYATSRXROC-HNNXBMFYSA-N 458.975 6.751 50 10 JKGE Cn1c([C@H](Br)c2c(Br)sc(Br)c2Cl)cnc1Cl 1923040216 SZUSCZNBTLAXEC-YFKPBYRVSA-N 483.838 5.798 50 10 JKGE Clc1c(Br)sc(Br)c1[C@@H](Br)C[C@H]1CCCOCC1 1923068925 YUVBIITXFHGCFF-YUMQZZPRSA-N 481.475 6.569 50 10 JKGE Cl[C@@H](c1c(Br)sc(Br)c1Br)[C@@H]1CCCOC1 1924579153 ARXFDDRBZVHVMO-SVGQVSJJSA-N 453.421 5.742 50 10 JKGE Cl[C@@H](C[C@@H]1CCOC1)c1c(Br)sc(Br)c1Br 1924605823 XNSKMTBHRSZVCS-WDSKDSINSA-N 453.421 5.742 50 10 JKGE Brc1sc(Br)c([C@@H](Br)[C@@H]2CC23CCC3)c1Br 1924616825 TZORKTDHKKKMDJ-FSPLSTOPSA-N 493.884 6.662 50 10 JKGE CN(CCN(Cc1ccccc1)c1c(CCl)ccc(Br)c1Cl)Cc1ccccc1 1933545005 NZSZRSDWSPTKKU-UHFFFAOYSA-N 492.288 6.980 50 10 JKGE CC(C)C[C@@H]1CN(C(=O)OC(C)(C)C)CC[C@]12CC[C@@](C)(CI)O2 1944824528 HKWRREFYKBRFFA-AYOQOUSVSA-N 451.389 5.032 50 10 JKGE COc1ccc([C@H](Br)c2cscc2OCc2ccccc2)c(Br)c1 1950319977 KKYUQEIFUKWFHA-IBGZPJMESA-N 468.210 6.583 50 10 JKGE C[C@H](C[C@H](Br)c1c(Br)sc(Br)c1Cl)C1CC1 1983716935 SIGCHCVNJMAJJM-VDTYLAMSSA-N 451.449 6.799 50 10 JKGE Brc1csc([C@@H](Br)c2cc(C3CC3)c(Br)s2)c1 2004905368 WECQUQXEOFEAEO-LLVKDONJSA-N 457.050 6.696 50 10 JKGE BrCc1c(Br)cccc1N1C[C@H]2C[C@@H](C1)N(Cc1ccccc1)C2 2014348812 ZIDGCOBAQDZTHX-IRXDYDNUSA-N 450.218 5.055 50 10 JKGE CCc1cc(Br)c([C@H](Br)c2ccc(C)c(Br)c2)s1 2029232050 CTVLKJXQULPDAR-CYBMUJFWSA-N 453.037 6.628 50 10 JKGE COc1sc([C@@H](Cl)c2ccc(F)cc2I)cc1Br 2034629623 OVFHDAPEZFMKOV-NSHDSACASA-N 461.521 5.591 50 10 JKGE C[C@H](c1cccs1)N(Cc1ccccc1)c1c(CCl)ccc(Br)c1Cl 2036844038 CAANNXDRMXYQBM-CQSZACIVSA-N 455.248 7.671 50 10 JKGE Cc1ccc(C=CC(=O)OCC(=O)N(N=Cc2ccccc2)c2cccc(C(F)(F)F)c2)o1 2042447905 SENCMEAUNKIOLQ-UHFFFAOYSA-N 456.420 5.231 50 10 JKGE Cl[C@H](c1c(Br)sc(Br)c1Br)C1(CC2CC2)CCC1 2069472970 RREGTQIMSQSMRS-SNVBAGLBSA-N 477.487 7.286 50 10 JKGE COCc1ccc([C@H](Br)c2sc(Br)cc2Br)cc1 2071273120 AJCBCEZERKFJBW-LBPRGKRZSA-N 455.009 5.904 50 10 JKGE CN(C[C@H]1C[C@@H]1Br)C(=O)c1cc(Cl)c(NC(=O)OC(C)(C)C)c(Cl)c1 2076220167 IVAQRBAFFXLGFR-MNOVXSKESA-N 452.176 5.196 50 10 JKGE COc1cc(F)c([C@H](Cl)c2sccc2I)cc1Br 2082788156 NQFVBOHSEHWSFI-NSHDSACASA-N 461.521 5.591 50 10 JKGE Brc1cc([C@H](Br)[C@H]2C[C@H]3COC[C@H](C3)C2)sc1Br 2085754175 OPOVSRRZHGFLRW-JXVAYASWSA-N 459.041 5.772 50 10 JKGE BrC[C@@H](Cc1ccc(Br)cc1Br)C1CCCCCC1 2092262402 ZKXINZFTDIJLFS-CQSZACIVSA-N 453.056 6.736 50 10 JKGE Fc1cc(Oc2ccc(CBr)cc2Br)cc(F)c1Br 2092541295 FREWEPTWENDOOU-UHFFFAOYSA-N 456.906 6.177 50 10 JKGE Clc1ccc(I)c([C@H](Cl)c2cc(C3CC3)c(Br)s2)c1 2094673912 PWZNBBDZQOXPAQ-ZDUSSCGKSA-N 488.015 6.974 50 10 JKGE CCOc1ccc(Br)cc1[C@H](Br)c1cc(Br)sc1C 2095698900 KQABGSVMTUKBEP-CQSZACIVSA-N 469.036 6.465 50 10 JKGE Cc1nc([C@H](Cl)c2scc(C(F)(F)F)c2Br)c(Br)s1 2113186238 ZLUKIHXBTPESGF-LURJTMIESA-N 455.546 6.385 50 10 JKGE Clc1ccc([C@@H](Br)CCc2cc(Cl)ccc2I)cc1 2113487195 NLFYADYFOJHZRO-AWEZNQCLSA-N 469.975 6.667 50 10 JKGE C[C@@H](Br)C[C@@H]1CCCCN1Cc1cc(Br)ccc1Br 2118535545 VNGQXYVYKKZCDC-RISCZKNCSA-N 454.044 5.740 50 10 JKGE Cc1cc(Br)c(C)c([C@H](Br)CC(F)(F)C(F)F)c1Br 2136379139 YVPOUVZKTHJYCK-MRVPVSSYSA-N 470.924 6.555 50 10 JKGE Cn1cc(Br)c([C@@H](Br)c2c(Br)cc(F)c(Cl)c2F)n1 2136959726 WCNLQAICMFUJPY-QMMMGPOBSA-N 479.344 5.361 50 10 JKGE CC1(C)[C@H]2CC[C@@H](C2)[C@@]1(CBr)Cc1cc(Cl)ccc1I 2146278638 OBTUROIEUTYRGK-DCGLDWPTSA-N 467.616 6.325 50 10 JKGE C[C@H](Cl)c1nc2cc(I)ccc2n1[C@@H]1CCOC[C@@H]1OCc1ccccc1 2146523629 PPOVZIPHUIBOJC-KPOBHBOGSA-N 496.776 5.488 50 10 JKGE FC1(F)C[C@]12CCC[C@H]([C@@H](Br)c1cc(Br)ccc1Br)C2 2156117871 VBOODUOLFCAKGH-CUOATXAZSA-N 472.993 6.863 50 10 JKGE Cc1csc([C@@H](Br)c2ccc(Br)c3ccccc23)c1Br 2157035677 NFXUOSYTCIMTIF-HNNXBMFYSA-N 475.043 7.219 50 10 JKGE O=[N+]([O-])c1sc(CBr)cc1N1CCC[C@@]2(CCN(Cc3ccccc3)C2)C1 2163313075 QJZXSEMXKBVSNX-FQEVSTJZSA-N 450.402 5.044 50 10 JKGE Cc1c([C@H](Br)c2csc3c(Br)cccc23)nn(C)c1Br 2168216942 XPFNXBLIBGVOOJ-LLVKDONJSA-N 479.035 5.953 50 10 JKGE Cc1cc(Br)c(CBr)c(N(C)Cc2cncc(Br)c2)c1 2173452200 AHHKPDNZZFDEHR-UHFFFAOYSA-N 463.011 5.446 50 10 JKGE Cc1nn(C)c2sc([C@@H](Br)c3cc(Br)ccc3Br)cc12 2175236087 JNBBEUPFXKWTTF-ZDUSSCGKSA-N 479.035 5.953 50 10 JKGE CCc1nc([C@@H](Br)c2cc(Br)c(OC)cc2C)c(Br)s1 2198732632 LPRYBOJSAWMBNB-LBPRGKRZSA-N 484.051 6.032 50 10 JKGE COc1cc(C)c([C@H](Br)Cc2ccccc2Br)cc1Br 2198737132 MAVNXBRAODWAAI-CQSZACIVSA-N 463.007 6.207 50 10 JKGE CCN(C[C@](C)(CI)OCc1cccc2ccccc12)C(=O)OC(C)(C)C 2205292403 PHRMIAHXPBEPIX-QFIPXVFZSA-N 483.390 5.807 50 10 JKGE CC[C@H]1CC[C@H]([C@@H](Br)c2cc(Br)c(Br)cc2F)CC1 2225617917 WNHDTEMHKCUTKJ-IQMDTDKHSA-N 457.019 7.003 50 10 JKGE CCn1cc(Br)c([C@H](Cl)c2c(Br)cc(Cl)c(Cl)c2Cl)n1 2232509410 JGTBOHDODNSOJS-LLVKDONJSA-N 481.830 6.716 50 10 JKGE FC1(F)CC2(C[C@@H]2[C@H](Br)c2c(Br)cc(Cl)c(Cl)c2Cl)C1 2232517578 UMRCVWLYRDSPQA-ANLVUFKYSA-N 469.378 7.281 50 10 JKGE Cc1cc(Br)c([C@@H](Br)[C@@H]2CC3(CCC3)CO2)c(C)c1Br 2235600726 RVQUAVSTILBCTM-WFASDCNBSA-N 467.039 6.224 50 10 JKGE Cc1cc(Br)c([C@@H](Br)[C@H]2CC23CCOCC3)c(C)c1Br 2235610449 FTTUIWBZKVIWRE-ABAIWWIYSA-N 467.039 6.081 50 10 JKGE COCc1cccc2c1nc(CCl)n2CC1(N(Cc2ccccc2)Cc2ccccc2)COC1 2236885746 XKOBLWKGLLDYCF-UHFFFAOYSA-N 476.020 5.393 50 10 JKGE C[C@@H](C[C@H](Br)c1c(F)cc(Br)c(F)c1Br)C(F)F 2260065130 GLJBPIPJEJUQPK-WHFBIAKZSA-N 456.897 6.217 50 10 JKGE Cc1c(Br)ccc([C@H](Br)C[C@H]2CCCC23CC3)c1Br 2266619906 DYWDGNZLYMVISB-BXUZGUMPSA-N 451.040 6.926 50 10 JKGE COc1c([C@H](Br)[C@H]2C[C@H](Br)C2)cc(Br)c2c1CCC2 2269170084 BZBKSUMCVYJNID-RFXMVYNHSA-N 453.012 5.556 50 10 JKGE Cc1sc([C@@H](Br)Cc2cc(Br)cc(Br)c2)c(C)c1C 2277958049 ZYUMEKUZNISXFT-AWEZNQCLSA-N 467.064 6.877 50 10 JKGE CC1CCC2(CC1)[C@@H](Oc1cc(I)ccc1Cl)C[C@H]2Br 2288257907 TWILMESDOUQUAP-YNOKFWAISA-N 469.588 6.056 50 10 JKGE Fc1cc(Br)ccc1[C@H](Cl)c1c(F)cc(Br)c(F)c1Br 2288353861 KUSFPDBAUDLUHE-LBPRGKRZSA-N 493.342 6.720 50 10 JKGE Cc1ccc(N2C(=O)[C@H](Cc3cccc(C)c3)SC2=C(C#N)C(=O)Nc2ccc(Cl)cc2)cc1 2293039258 URISKTODOVRUQR-DEOSSOPVSA-N 488.012 6.022 50 10 JKGE C=CCc1ccccc1OCCOc1ccc(Cl)cc1C=C(C#N)C(=O)Nc1ccc(C)cc1 2294593200 FGEGOZMUBQOKOB-UHFFFAOYSA-N 472.972 6.380 50 10 JKGE Clc1ccc(Br)cc1CO[C@H](CBr)c1ccc(Br)cc1 2295174603 ZTLLRXNIXMQTDN-OAHLLOKOSA-N 483.425 6.518 50 10 JKGE CCOC(=O)c1c(NC=C(C#N)c2nc(-c3ccc(OC)c(OC)c3)cs2)sc(C)c1C 2296789946 DHXGGKRPNVJKLM-UHFFFAOYSA-N 469.588 5.659 50 10 JKGE COc1cc(C=C(C#N)c2nc3ccccc3[nH]2)ccc1OCC(=O)NC12CC3CC(CC(C3)C1)C2 2297555822 TVQNGUISTNXKAM-UHFFFAOYSA-N 482.584 5.099 50 10 JKGE FC(F)c1cscc1[C@H](Br)c1sc(Cl)cc1I 2301087570 ZMCDTQFEMGSTGZ-QMMMGPOBSA-N 469.541 6.490 50 10 JKGE Cc1ccc(NC(=O)C(C#N)=Cc2ccc(-c3ccc(Br)cc3C)o2)cc1Cl 2313548904 IMYLBFJGYPDNFT-UHFFFAOYSA-N 455.739 6.525 50 10 JKGE Cc1cc(C)c2[nH]c(-c3ccccc3)c(C=C(C#N)C(=O)Nc3ccc(Cl)c(Cl)c3)c2c1 2313553070 CQVLGNDJDRBXKL-UHFFFAOYSA-N 460.364 7.304 50 10 JKGE Cc1cccc(NC(=O)C(C#N)=Cc2cc(Br)ccc2OCc2ccc(Cl)cc2)c1C 2313667073 FJQMPPQHZGMNAH-UHFFFAOYSA-N 495.804 6.844 50 10 JKGE Brc1ccc(OCc2ccccc2)c([C@H](Br)[C@@H]2COC3(CCC3)C2)c1 2314447011 YIXNRDMPKMDUNS-OXJNMPFZSA-N 466.213 6.423 50 10 JKGE Cc1ccc(F)c([C@H](Br)c2cc(Br)ccc2OCc2ccccc2)c1 2314485520 AUDQGPDQRFNUGR-NRFANRHFSA-N 464.172 6.960 50 10 JKGE CC(C)(C)CC[C@@H](Br)c1c(Cl)cc(Br)c(F)c1Br 2315457279 AYJSBTYCGWMHMA-SSDOTTSWSA-N 465.426 7.266 50 10 JKGE Brc1ccc(I)cc1CO[C@H]1CCCCC[C@H]1Br 2319226940 WDZIHHKLJVHDGB-KGLIPLIRSA-N 488.001 5.667 50 10 JKGE COc1ccc(C(C#N)=Cc2cccc(OC(=O)C=Cc3ccc(OCc4ccccc4)cc3)c2)cc1 2320510955 GPWNXVNIPHFTRF-UHFFFAOYSA-N 487.555 6.957 50 10 JKGE CC(C)c1cccc([C@H](Br)c2cc(Br)c(Br)s2)c1 2320573561 RPLODQPGNVRBSK-ZDUSSCGKSA-N 453.037 6.881 50 10 JKGE COc1cc(C=NNC(=O)Nc2ccccc2)ccc1OCc1ccc(Br)cc1 2323063347 GSQMYWHFGRKMNX-UHFFFAOYSA-N 454.324 5.192 50 10 JKGE CCOC(=O)c1c(-c2ccccc2)csc1NC(=O)C(C#N)=Cc1cccc(Br)c1 2329699313 AIRQDFVMVYNMNO-UHFFFAOYSA-N 481.371 5.900 50 10 JKGE N#CC(=C(O)C=Cc1ccc(Cl)cc1Cl)c1nc(-c2ccc(-c3ccccc3)cc2)cs1 2331231771 AIENUZCMWPMGAZ-UHFFFAOYSA-N 475.400 8.290 50 10 JKGE N#CC(=C(O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1)c1nc(-c2cccc(Br)c2)cs1 2331279105 JGSKZJOFBARVTA-UHFFFAOYSA-N 473.264 5.339 50 10 JKGE CC(C)C[C@H](C(O)=C(C#N)c1nc(-c2cccc(Cl)c2)cs1)N1C(=O)c2ccccc2C1=O 2331293872 MQGMYOODKRLMKD-OAQYLSRUSA-N 477.973 5.967 50 10 JKGE Cc1cc(C)c(C)c(-c2csc(C(C#N)=C(O)CCCN3C(=O)c4ccccc4C3=O)n2)c1C 2331364775 ZPATVUUOGLKXJA-UHFFFAOYSA-N 471.582 5.913 50 10 JKGE COc1c(C)cc(Cl)cc1-c1csc(C(C#N)=C(O)c2cc(Cl)ccc2Cl)n1 2331392358 VUUFSTZPGINISV-UHFFFAOYSA-N 451.762 7.037 50 10 JKGE CC[C@H](C)N1C(=O)c2ccc(C(O)=C(C#N)c3nc(-c4cc(C(C)(C)C)ccc4C)cs3)cc2C1=O 2331396364 QQYFGTRHRUVRHY-KRWDZBQOSA-N 499.636 6.760 50 10 JKGE C[C@@H](c1ccccc1)N1C[C@@H](C(O)=C(C#N)c2nc(-c3ccc(Cl)s3)cs2)CC1=O 2331402201 YZUWEPRSCJZNLF-ZFWWWQNUSA-N 455.992 5.927 50 10 JKGE CCCCOc1c(Br)cc(C=C(C#N)c2nc(-c3ccc(C)cc3C)cs2)cc1OC 2331443396 NHNOXOKTIHQGCY-UHFFFAOYSA-N 497.458 7.441 50 10 JKGE COc1c(Cl)cc(-c2csc(C(C#N)=Cc3ccc(C(F)(F)F)cc3)n2)cc1Cl 2331480999 SXMFCFQMFIMDFL-UHFFFAOYSA-N 455.288 7.208 50 10 JKGE Cc1c(Br)ccc([C@@H](Br)[C@@H]2C[C@@]2(C)C(F)(F)F)c1Br 2333146615 NHADRKRNECAOLW-XXILOJSOSA-N 464.945 6.545 50 10 JKGE Fc1c(Cl)cccc1C[C@@H](Cl)c1cc(Br)ccc1OCc1ccccc1 2336075576 QHYVSWHCZPYTQE-LJQANCHMSA-N 454.166 7.343 50 10 JKGE C[C@@H]1C[C@@H]([C@@H](Br)c2c(Cl)cc(Br)c(F)c2Br)CCO1 2337085914 FOKGNUXFWYQYOG-PTZCXBDSSA-N 479.409 6.255 50 10 JKGE CCCc1sc(Br)cc1[C@@H](Br)c1cccc(Br)c1C 2338020102 ITHRBDMQNCCZOY-HNNXBMFYSA-N 467.064 7.018 50 10 JKGE COC1(C[C@@H](Br)c2c(C)cc(Br)c(F)c2Br)CCC1 2339647105 XYZFVCQDQYDRBG-SNVBAGLBSA-N 458.991 6.054 50 10 JKGE CN(Cc1ccc(Cl)cc1I)C[C@H](Br)C1CCCC1 2341044212 RSSQHHNLFLLCKY-AWEZNQCLSA-N 456.593 5.330 50 10 JKGE C[C@]1(Nc2ncc(I)cc2Br)C[C@H]2CC[C@H]1C[C@H]2Cl 2352859902 WPTOVGKPOXPPRB-UGIUPUBSSA-N 455.565 5.047 50 10 JKGE Brc1cc(OCc2ccccc2)ccc1[C@@H](Br)C1CC2(C1)CC1(CCC1)C2 2361168876 PWILXLWPEAFOLW-QFIPXVFZSA-N 490.279 7.825 50 10 JKGE Fc1c(Br)cc(Cl)c([C@H](Br)C2C[C@H]3CCC[C@@H]3C2)c1Br 2362232931 UATSSNDUTDAQDR-OTPXZMOZSA-N 489.448 7.266 50 10 JKGE CC(C)[C@@H](Br)C(C)(C)CNC(=O)c1cc(Br)cc(Br)c1 2365857976 RRWIWZZUAYQBPU-CYBMUJFWSA-N 470.043 5.387 50 10 JKGE Fc1cc(OCc2cc(Cl)ccc2I)cc(Cl)c1CBr 2379781568 PPFUWKYHRQKYRG-UHFFFAOYSA-N 489.937 6.211 50 10 JKGE CCCCCCOc1ccc(C(=O)NNC(=O)CCC(=O)Nc2ccc(Cl)cc2Cl)cc1 14028413 JWTNCTUOJJQUIF-UHFFFAOYSA-N 480.392 5.132 50 10 JKGE CCOC(=O)c1c(-c2ccccc2)csc1NC(=O)/C(C#N)=C\c1ccc(OC(C)C)c(OC)c1 33776650 MPKZKSGPOHEESX-MOSHPQCFSA-N 490.581 5.933 50 10 JKGE C/C(=N/NC(=O)CSc1cc(C)c(Br)cc1C)c1ccc(Cl)cc1Cl 34690783 WJNXZGNEHLKLGS-UUYOSTAYSA-N 460.224 6.005 50 10 JKGE Cc1ccccc1C(=O)Oc1ccc2c(c1)OC(N)=C(C#N)[C@@H]2c1ccc(OCc2ccccc2)cc1 38650897 JUROCGQZABOEGI-GDLZYMKVSA-N 488.543 6.011 50 10 JKGE Cc1cc(C)cc(OCC(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@H]3c2ccc(Cl)cc2Cl)c1 38655500 MVSRYPCQPLXJDQ-VWLOTQADSA-N 495.362 5.813 50 10 JKGE N#CC1=C(N)Oc2cc(OC(=O)c3ccc(Cl)cc3)ccc2[C@H]1c1cccc2ccccc12 38657654 YCFKCFLRBCDAJS-RUZDIDTESA-N 452.897 5.931 50 10 JKGE N#CC1=C(N)Oc2cc(OC(=O)c3ccccc3[N+](=O)[O-])ccc2[C@H]1c1c(Cl)cccc1Cl 38679659 TULUBOSTKQJGIH-HXUWFJFHSA-N 482.279 5.339 50 10 JKGE CSc1ccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4ccc(OCC(C)C)cc4)ccc32)cc1 38682448 QGDGMSQIYBFOSC-AREMUKBSSA-N 486.593 5.881 50 10 JKGE N#C/C(=C\c1ccc(-c2ccccc2[N+](=O)[O-])o1)C(=O)Nc1ccc(C(F)(F)F)c(Cl)c1 39884875 YHPBMHKUDHLWAS-FMIVXFBMSA-N 461.783 6.073 50 10 JKGE Cc1cc(OC(=O)c2oc3c(c2C)/C(=N/NC(=O)c2ccoc2C)CCC3)cc(C)c1Cl 40823611 ULUNVGTYJZWTHP-NLRVBDNBSA-N 454.910 5.449 50 10 JKGE CCCCCCOc1ccc(/C=C(\C#N)C(=O)NCCOc2cccc3ccccc23)cc1OC 40859669 ZQSXUHMHJNUYEE-LYBHJNIJSA-N 472.585 5.910 50 10 JKGE COc1cc(/C=N/NC(=O)COc2ccccc2C(C)C)ccc1OCc1ccc(Cl)cc1 40911128 BUQCQYJMQKFDOA-RWPZCVJISA-N 466.965 5.580 50 10 JKGE COc1cc(/C=N/NC(=O)[C@@H](C)Oc2ccc(-c3ccccc3)cc2)ccc1OCCc1ccccc1 40959703 WVDMPGBLFKNTMI-JTCALOBXSA-N 494.591 5.901 50 10 JKGE O=C(N/N=C/c1c(Oc2ccc(C(F)(F)F)cc2[N+](=O)[O-])ccc2ccccc12)c1ccccc1 59462998 OTZRYHRLNSECRC-WKULSOCRSA-N 479.414 6.323 50 10 JKGE CCOc1ccc(/C=C(\C#N)C(=O)Nc2ccc(C(C)(C)C)cc2Br)cc1OC 65001362 POXQROFNRJKZQB-LFIBNONCSA-N 457.368 5.700 50 10 JKGE CCCCCCCCCCCCCC(=O)NNC(=O)CCCOc1ccc(Cl)cc1Cl 100442987 JJDWGBBZJYYNGF-UHFFFAOYSA-N 473.485 7.001 50 10 JKGE CCCN1C(=O)C(C#N)=C(C)/C(=C\c2cn(-c3ccccc3)nc2C23CC4CC(CC(C4)C2)C3)C1=O 101332807 OHIVZUBQQNHVBJ-DHRITJCHSA-N 480.612 5.342 50 10 JKGE CC1=NN(c2ccc(Br)cc2)C(=O)/C1=C\Nc1cc(Cl)c(SC#N)cc1Cl 101350426 FXWMGEYEXWLZNJ-JYRVWZFOSA-N 482.190 6.048 50 10 JKGE Cc1cc(C)cc(N/C(SCc2cccc(Cl)c2)=C(\C#N)S(=O)(=O)c2ccccc2)c1 104689215 OHHPIBBQNKVGHI-VHXPQNKSSA-N 469.031 6.469 50 10 JKGE Cc1cc(C)c(N/C(SCc2ccccc2Cl)=C(\C#N)S(=O)(=O)c2ccccc2)c(C)c1 104689509 CIMHORQKHKMYBY-BZZOAKBMSA-N 483.058 6.777 50 10 JKGE Clc1ccc(C[C@H](Br)c2cc(Br)sc2Br)cc1Cl 109869835 MOTVNZGQKCXIEZ-QMMMGPOBSA-N 493.873 7.259 50 10 JKGE COc1ccc([C@H](Br)c2ccc(I)cc2)c(Br)c1 109876777 HOMVEFNSSBWRTK-CQSZACIVSA-N 481.953 5.547 50 10 JKGE BrC[C@@H](CCOc1ccc(Br)cc1)c1ccc(Br)cc1 118851306 VAPMRRREBAIADS-CYBMUJFWSA-N 463.007 6.159 50 10 JKGE COc1ccc(/C=C(/C#N)C(=O)Nc2ccc3c(c2)OCCO3)cc1COc1cccc2cccnc12 207530863 TWDVYBVRWRZVAI-STZFKDTASA-N 493.519 5.139 50 10 JKGE Brc1cc2c(c([C@@H](Br)c3sccc3Br)c1)OCC2 228444441 IZCLTSLOYRFVIS-LLVKDONJSA-N 452.993 5.692 50 10 JKGE Cc1ccc(C)c([C@H](Br)c2cc(I)ccc2Br)c1 235879950 RJZLWVCYTVLCJY-HNNXBMFYSA-N 479.981 6.155 50 10 JKGE Clc1cc2c(c([C@@H](Cl)c3cc(I)ccc3Br)c1)OCC2 236032545 CLKCMKPDDXYVGU-AWEZNQCLSA-N 483.958 5.970 50 10 JKGE CCCCCCCCCCCC(=O)NCC(=O)NN=Cc1ccc(OC(=O)c2ccccc2C)cc1 254307074 KXXYSEWUAXPDAQ-UHFFFAOYSA-N 493.648 5.701 50 10 JKGE CC(=NNC(=O)c1ccccc1NS(=O)(=O)c1cccs1)c1ccc(C(C)(C)C)cc1 254735189 WSLGKAGWNHYJMT-UHFFFAOYSA-N 455.605 5.000 50 10 JKGE CC1(C)[C@]2(C)CC[C@@]1(C(=O)Nc1cc(Cl)ccc1Oc1ccccc1)[C@@H](Br)C2=O 256019006 FRKVKLARQCEUPQ-NMNUPHIUSA-N 476.798 6.230 50 10 JKGE Cl[C@@H](c1csc(I)c1)c1cc2c(cc1Br)OCC2 308408904 AIKPVITYAJGECX-ZDUSSCGKSA-N 455.542 5.378 50 10 JKGE Fc1c(Br)cccc1[C@@H](Br)c1cc2c(cc1Br)OCC2 308409801 CJNHSXMYEYWJHS-CQSZACIVSA-N 464.954 5.770 50 10 JKGE COc1c(Br)cc(Cl)cc1[C@@H](Cl)c1cccc(OCc2ccccc2)c1 312052138 BXKHGDRJOGKTMV-FQEVSTJZSA-N 452.175 7.018 50 10 JKGE Fc1cc(Cl)ccc1COc1c(Br)cc(Br)cc1CBr 312646326 KEBJOHSNOHIVDY-UHFFFAOYSA-N 487.388 6.478 50 10 JKGE Fc1ccc(Br)c([C@@H]2CN(Cc3ccccc3)C[C@@H]2CI)c1 382693107 PXJGRNQFJIBENM-WMLDXEAASA-N 474.155 5.239 50 10 JKGE CC(C)(C)[Si](C)(C)OCc1cccc([C@@H]2CCN(S(=O)(=O)c3ccccc3)CCO2)c1 616592398 DUKFFGMLLQJDJO-QHCPKHFHSA-N 461.700 5.361 50 10 JKGE CC(C)(C)[Si](C)(C)OCCc1ccccc1[C@H]1CN(CCO[Si](C)(C)C(C)(C)C)CCCO1 616599229 RRHSUBDBTIHTSO-RUZDIDTESA-N 493.881 7.036 50 10 JKGE CC(C)(C)[Si](C)(C)OCCN1CCCC[C@@H](c2ccccc2CO[Si](C)(C)C(C)(C)C)C1 616604992 IYRXCLQGRLJELM-HSZRJFAPSA-N 477.882 7.800 50 10 JKGE CC(C)(C)[Si](C)(C)OCCN1CCCCC[C@@H]1c1cccc(CO[Si](C)(C)C(C)(C)C)c1 616605989 UGQYJMWNQMWYDI-RUZDIDTESA-N 477.882 8.147 50 10 JKGE CC(C)(C)OC(=O)NCCN1CCO[C@H](c2ccccc2CCO[Si](C)(C)C(C)(C)C)CC1 616665839 ZPPOTUCUGSHREG-QHCPKHFHSA-N 478.750 5.539 50 10 JKGE Brc1cc2c(c([C@H](Br)c3cscc3Br)c1)OCCC2 688383324 WGEKYAKEMJYMKL-ZDUSSCGKSA-N 467.020 6.082 50 10 JKGE Clc1sc([C@H](Br)c2ncsc2Br)cc1Br 698611976 XEGPDKVIFGQNEV-YFKPBYRVSA-N 452.418 5.867 50 10 JKGE C[C@]12CN(Cc3ccccc3)C[C@H]1CN(c1ccc(Br)cc1CBr)C2 702091396 YUMBCRBQSHTGEL-GHTZIAJQSA-N 464.245 5.302 50 10 JKGE Fc1cc(Br)c([C@H](Br)c2ccsc2Br)c(F)c1F 705128647 DVQLWQQTVUHRHL-MRVPVSSYSA-N 464.926 6.175 50 10 JKGE N#C/C(=C\c1ccc(OCc2ccc(Cl)c(Cl)c2)cc1)C(=O)N1CCN(c2ccccc2)CC1 1083900748 GZVWSXGDMGORSU-CJLVFECKSA-N 492.406 5.828 50 10 JKGE CCOc1ccc([C@H](O)CCC(=O)NN=Cc2cn(Cc3ccccc3)c3ccccc23)cc1 1084149199 DLAXKBUUDZAXKK-HHHXNRCGSA-N 455.558 5.052 50 10 JKGE Cc1ccc(NC(=O)C(=O)NN=Cc2cccc(OCc3c(Cl)cccc3Cl)c2)cc1C 1084230578 OEPBZOJRAZKZDJ-UHFFFAOYSA-N 470.356 5.278 50 10 JKGE CCOc1cc(C=NNC(=O)c2cc3ccccc3o2)ccc1OCc1ccc(Br)cc1 1084270184 DUZIEFVMGJZLRI-UHFFFAOYSA-N 493.357 5.937 50 10 JKGE Cc1ccc(COc2ccccc2C=NNC(=O)c2cc3cc(Br)ccc3o2)cc1 1084374573 YAHCFCLDGXLYIP-UHFFFAOYSA-N 463.331 5.847 50 10 JKGE CC(=NNC(=O)c1ccc(CSCc2ccccc2)cc1)c1cccc(NC(=O)c2ccccc2)c1 1084389359 CQALRPZSRQNNEL-UHFFFAOYSA-N 493.632 6.526 50 10 JKGE O=C(OCc1ccccc1)N1C[C@@H](CI)[C@@H](c2ccc(C(F)(F)F)cc2)C1 1614805856 LAWFJQVYMYPZSI-SJLPKXTDSA-N 489.275 5.493 50 10 JKGE CCc1ccccc1NC(=O)c1oc2c(c1C)C(=NNC(=O)c1ccc(Br)cc1)CCC2 1772743628 HBGSIFYMEYVSFQ-UHFFFAOYSA-N 494.389 5.636 50 10 JKGE CCOc1cc([C@H]2C(C#N)=C(N)Oc3c2c(-c2ccccc2)nn3Cc2cccc(Cl)c2)ccc1O 1865680988 BTPNEBVDIZMPBD-DEOSSOPVSA-N 498.970 5.574 50 10 JKGE CCCOc1ccc([C@@H]2C(C#N)=C(N)Oc3c2c(C)nn3Cc2c(F)cccc2Cl)cc1OCC 1865687809 AWMSAUKFVWBJFB-XMMPIXPASA-N 496.970 5.438 50 10 JKGE Cc1ccc(-n2nc(C)c3c2OC(N)=C(C#N)[C@H]3c2ccc(OCc3ccc(Cl)cc3)cc2)cc1 1865695490 OWTZVBDBOOBLIX-AREMUKBSSA-N 482.971 5.940 50 10 JKGE COc1ccc(-c2nn(-c3ccccc3)c3c2[C@@H](c2c[nH]c4ccccc24)C(C#N)=C(N)O3)cc1 1865699721 AXRVMSCIPPPGJE-XMMPIXPASA-N 459.509 5.247 50 10 JKGE CCCn1nc(CC)c2c1OC(N)=C(C#N)[C@H]2c1ccc(OCc2ccc(Cl)cc2Cl)cc1 1865700840 FQFPVRYGPLINIT-JOCHJYFZSA-N 483.399 5.959 50 10 JKGE CCCn1nc(CC)c2c1OC(N)=C(C#N)[C@H]2c1ccc(OCc2ccc(Cl)cc2)c(OC)c1 1865701440 VUMWLPRBSALTFT-HSZRJFAPSA-N 478.980 5.315 50 10 JKGE COc1ccc(-c2nn(-c3ccccc3)c3c2[C@H](c2ccc(F)cc2F)C(C#N)=C(N)O3)cc1 1865702700 ZUGNXVQHDMGAFJ-JOCHJYFZSA-N 456.452 5.044 50 10 JKGE N#CC1=C(N)Oc2c(c(C(F)(F)F)nn2-c2ccc(Cl)c(Cl)c2)[C@@H]1c1ccccc1C(=O)O 1865704293 RYCWHSQBMVWBSB-OAHLLOKOSA-N 495.244 5.114 50 10 JKGE CSCC[C@@H](NC(=O)[C@@H](c1ccc(C)cc1)C(C)C)C(=O)Nc1ccc(SC#N)cc1 1866954601 CKCIKDVBNYRKMZ-FGZHOGPDSA-N 455.649 5.184 50 10 JKGE CCc1cccc(OC2CCN(c3cc(Nc4ccc(SC#N)cc4)nc(CCOC)n3)CC2)c1 1868253765 SITPMERUWKVVHS-UHFFFAOYSA-N 489.645 5.592 50 10 JKGE CCCN(CCCN(C)C)c1cc(Nc2ccc(SC#N)cc2)nc(-c2ccc(OCC)cc2)n1 1868527971 LDMQBIHEMFPSIP-UHFFFAOYSA-N 490.677 6.027 50 10 JKGE CC(C)(C)c1csc(/C(C#N)=C(\O)CCCOc2ccc(Br)cc2Cl)n1 1872748721 KQPSYOLCIOBWGN-SQFISAMPSA-N 455.805 6.508 50 10 JKGE C[C@H](Oc1ccc(Cl)cc1Cl)/C(O)=C(\C#N)c1nc(-c2ccc(Cl)c(Cl)c2)cs1 1872749232 HSNRFOZXZJSTEH-XEVDPLJKSA-N 486.207 7.684 50 10 JKGE CC(C)(C)c1ccc(-c2csc(/C(C#N)=C(\O)c3cc(C(F)(F)F)cc(C(F)(F)F)c3)n2)cc1 1872750780 KYIYKVDQNVQJEU-ZZEZOPTASA-N 496.476 8.095 50 10 JKGE COc1ccc(C(C)(C)C)cc1-c1csc(/C(C#N)=C(\O)CNS(=O)(=O)c2ccc(C)cc2)n1 1872751798 UFXGABSXPTURPA-XDOYNYLZSA-N 497.642 5.196 50 10 JKGE CC(=O)Oc1cccc(/C(O)=C(\C#N)c2nc(-c3ccc(Oc4ccccc4)cc3)cs2)c1 1872753985 XICGMJCYPOGGOT-BZZOAKBMSA-N 454.507 6.478 50 10 JKGE N#C/C(=C(/O)Cc1ccc(Cl)c(Cl)c1)c1nc(-c2ccc(Oc3ccccc3)cc2)cs1 1872754001 XTFUADQKAFCDJW-GFMRDNFCSA-N 479.388 7.945 50 10 JKGE CC[C@@H](C)[C@@H](/C(O)=C(\C#N)c1nc(-c2c(C)c(C)cc(C)c2C)cs1)N1C(=O)c2ccccc2C1=O 1872754549 YHMFVXVYKXNGQB-KEHBCYOJSA-N 499.636 6.547 50 10 JKGE COc1c(C)cc(Cl)cc1-c1csc(/C(C#N)=C(\O)CCCOc2ccc(C)cc2)n1 1872756828 CMNMGEYCINEJMY-XDOYNYLZSA-N 454.979 6.741 50 10 JKGE COc1cc(Cl)c(C)cc1-c1csc(/C(C#N)=C(\O)c2ccc(Cl)cc2[N+](=O)[O-])n1 1872757015 MIFUQGXFDBCQQP-RGEXLXHISA-N 462.314 6.292 50 10 JKGE COc1cc(Cl)c(C)cc1-c1csc(/C(C#N)=C(\O)CCc2nc3ccccc3[nH]c2=O)n1 1872757319 ZZGMHBRUAQQVDV-QNGOZBTKSA-N 478.961 5.443 50 10 JKGE COc1ccc(C)cc1-c1csc(/C(C#N)=C(\O)c2ccc3c(c2)C(=O)N(C(C)C)C3=O)n1 1873920969 NWSRUKZZFYVCDR-QOCHGBHMSA-N 459.527 5.081 50 10 JKGE COc1ccc(OC)c(-c2csc(/C(C#N)=C(\O)[C@H](C)Oc3ccc(C(C)C)cc3)n2)c1 1873920977 OJIKPUWLNXHZGN-QWVAQTLSSA-N 450.560 6.211 50 10 JKGE FC1(F)CC[C@@H](Cc2c(Br)cccc2Br)[C@H](Br)CC1 1881850003 MYPDZIFERABNQD-GXSJLCMTSA-N 460.982 6.343 50 10 JKGE O=C1c2ccccc2C(=O)N1C[C@@H](Br)CCc1cc(Br)ccc1Cl 1905438713 OTXZOHLVWVHRDB-ZDUSSCGKSA-N 471.576 5.095 50 10 JKGE C[C@H](CBr)N(Cc1ccccc1)C(=O)c1csc(Br)c1Br 1914232369 OZELGVLYSLJOGT-SNVBAGLBSA-N 496.062 5.699 50 10 JKGE CC[C@@H](Br)CN(Cc1ccccc1)C(=O)c1ccc(I)cc1 1915124732 GSHGRRRBKNXPCK-MRXNPFEDSA-N 472.164 5.107 50 10 JKGE COc1ccc(Br)c(CN(Cc2ccccc2)[C@H](CBr)C(C)C)c1 1915271124 SOBDWJWCMPEFCO-HXUWFJFHSA-N 455.234 5.879 50 10 JKGE CC(C)(CCl)N(Cc1ccccc1)C(=O)c1ccc(Br)cc1Br 1915787868 JHLPSHJRKLARSX-UHFFFAOYSA-N 459.609 5.871 50 10 JKGE Cc1cc([C@@H](Br)c2cc3c(cc2Br)OCCO3)oc1Br 1917612496 MREGCFOLIMZBBO-ZDUSSCGKSA-N 466.951 5.369 50 10 JKGE Cc1ccc(F)c([C@H](Br)c2sc(Br)c(C)c2Br)c1F 1922880359 DIMKLNLBCRUJFF-JTQLQIEISA-N 474.990 6.652 50 10 JKGE Brc1ccc([C@@H](Br)c2sc(Br)cc2Br)s1 1922919961 BDSVWPJVPUUNTF-MRVPVSSYSA-N 495.881 6.581 50 10 JKGE Fc1ccc([C@@H](Br)c2sc(Br)cc2Br)cc1Cl 1922933956 AUURBLHXSIWFOW-SNVBAGLBSA-N 463.391 6.550 50 10 JKGE Fc1ccc([C@H](Br)c2c(Br)sc(Br)c2Cl)c(Cl)c1 1923054797 KHDSVXLGERNNDF-QMMMGPOBSA-N 497.836 7.203 50 10 JKGE CCc1occc1[C@H](Br)c1c(Br)sc(Br)c1Cl 1923072598 QEXQYKDTPBXYBJ-QMMMGPOBSA-N 463.416 6.566 50 10 JKGE C[C@@H]1CCC[C@H]([C@@H](Cl)c2c(Br)sc(Br)c2Br)C1 1924605766 WVJWIUIWQFRIJA-MATHAZKKSA-N 465.476 7.142 50 10 JKGE C[C@H](C1CCC1)[C@@H](Cl)c1c(Br)sc(Br)c1Br 1924609544 ZKHPGCVDBOJHAM-MLUIRONXSA-N 451.449 6.752 50 10 JKGE C[C@@H]1CO[C@H]([C@H](Br)c2c(Br)sc(Br)c2Br)C1 1924613217 HKBVNTMVBFWPPF-VPLCAKHXSA-N 497.872 5.897 50 10 JKGE Cl[C@H](Cc1cccc(Br)c1)c1csc(Br)c1Br 1945183394 DPXBMKVWQABBGI-SNVBAGLBSA-N 459.428 6.558 50 10 JKGE C[C@@H](Br)Cc1cc(Br)cc(Br)c1NC(=O)OC(C)(C)C 1951695718 ONMKFMNJNAUUQK-MRVPVSSYSA-N 472.015 5.885 50 10 JKGE BrCc1cc(Br)cc(Br)c1OC[C@H]1C[C@@H]1Br 1991502372 IYHPEIITUBOCJT-APPZFPTMSA-N 477.816 5.269 50 10 JKGE CC(C)(C)C1CC([C@H](Cl)c2c(Br)sc(Br)c2Br)C1 2043033455 CEVTVTSJCIZZCG-QIMWKCOFSA-N 479.503 7.388 50 10 JKGE CC(C)(C)[C@@H](C[C@H](Br)c1sc(Br)cc1Br)C(F)F 2048744196 MUTXUNFOLSLKFJ-BQBZGAKWSA-N 469.027 7.027 50 10 JKGE Cl[C@H](c1c(Br)sc(Br)c1Br)[C@H]1C[C@@H]1C1CCCC1 2079391715 FZVXWYVNMFILLW-FYBVGQRMSA-N 477.487 7.142 50 10 JKGE Cc1nsc(Br)c1[C@H](Cl)c1ccc(Br)c(C)c1Br 2083310636 BKCBBIWYBNSPAL-LLVKDONJSA-N 474.443 6.376 50 10 JKGE C[C@@H](Br)CC(C)(C)CNC(=O)c1cccc(Br)c1Br 2092327861 GIEAXAYJWQFGCV-SECBINFHSA-N 456.016 5.141 50 10 JKGE C[C@@H](CBr)[C@H]1CCCCN1Cc1cccc(Br)c1Br 2092329360 VPBBSOAYKRTLQX-SMDDNHRTSA-N 454.044 5.597 50 10 JKGE BrC[C@@H](Cc1cccc(Br)c1Br)C1CCCCCC1 2092335026 KCWPARCDKWAGTI-CQSZACIVSA-N 453.056 6.736 50 10 JKGE CC1(C)CCC(CBr)(Cc2ccc(Br)cc2Br)CC1 2100845535 PJSUOIICBKYPKZ-UHFFFAOYSA-N 453.056 6.736 50 10 JKGE FC1(F)[C@H]2CC(Oc3c(Br)cc(Br)cc3CBr)C[C@@H]21 2107517433 HPHAICWQASUILR-UWVGGRQHSA-N 460.938 5.529 50 10 JKGE Clc1ccc(Br)cc1CC[C@H](Br)c1cccc(Br)c1 2113450514 UZXAJCONYKYPOI-AWEZNQCLSA-N 467.426 6.934 50 10 JKGE BrC[C@]1(Cc2ccc(Br)cc2Br)CCCCC12CC2 2117004797 QXTBGWGBVYFNIN-MRXNPFEDSA-N 451.040 6.490 50 10 JKGE Cc1cc(Br)c(C)c([C@H](Br)[C@@H]2CCC[C@H]3C[C@H]32)c1Br 2136365800 BEDLUSKKYBAFCB-XSUJLISDSA-N 451.040 6.701 50 10 JKGE COc1cc(Cl)c([C@@H](Br)c2c(C)nsc2Br)cc1Br 2137663044 RKUKNZGFSBAEMU-LLVKDONJSA-N 490.442 6.123 50 10 JKGE Cc1c(Br)ccc([C@H](Br)c2cc(Cl)cc(Cl)c2)c1Br 2138855091 VNKRPNJWFXFVHZ-CQSZACIVSA-N 487.844 7.311 50 10 JKGE Cc1cccc(Br)c1[C@H](Cl)c1ccc(Br)c(C)c1Br 2138866741 VGPXTTHKAXEODT-OAHLLOKOSA-N 467.426 6.919 50 10 JKGE CCC[C@H]1CN(C(=O)c2csc(Br)c2Br)C[C@H]1CBr 2140764719 HYEAJFRQDCBRSD-DTWKUNHWSA-N 474.056 5.156 50 10 JKGE C[C@H](Cl)c1nc2cc(Br)c(F)cc2n1C1(CCOCc2ccccc2)CC1 2146509209 ZWKCNVCUFFMCQK-AWEZNQCLSA-N 451.767 6.334 50 10 JKGE COc1ccc([C@H](Br)c2cc(Cl)c(Cl)s2)c(OC)c1Br 2156049369 GMJLPTRQNADEFM-JTQLQIEISA-N 461.002 6.319 50 10 JKGE CO[C@@](C)(COCc1ccccc1)Cn1c(CCl)nc2cc(Br)c(Cl)cc21 2159871907 NVLQTSVNIOVUDZ-HXUWFJFHSA-N 472.210 5.813 50 10 JKGE Brc1ccc(Br)c(CN2CCC3(CCC(Br)CC3)C2)c1 2175150171 QEFROVWNZRVXBA-UHFFFAOYSA-N 466.055 5.741 50 10 JKGE Cc1ccc([C@H](CI)OCc2cc(Cl)ccc2Br)cc1 2200753095 PTODHHYHWJVEBV-INIZCTEOSA-N 465.556 6.104 50 10 JKGE Cc1ccc([C@@H](Cl)c2c(C)c(Br)cc(C)c2Br)c(Br)c1 2201078937 PWUANRZTVPAOST-MRXNPFEDSA-N 481.453 7.228 50 10 JKGE Br[C@H](c1ccc(-c2ccccc2)s1)c1ccccc1I 2206136955 XMQKJIBMNBKSKP-KRWDZBQOSA-N 455.158 6.504 50 10 JKGE Cl[C@H](c1ccc2c(c1)OCCO2)c1ccc(Br)cc1I 2207271623 JGFONUDXWNUJTA-OAHLLOKOSA-N 465.512 5.153 50 10 JKGE C[C@@H](C[C@H](Br)c1cc(Br)c(Br)cc1F)C(F)(F)F 2218595703 AJKMRSMJOVCOKY-FSPLSTOPSA-N 456.897 6.375 50 10 JKGE Cc1c(Br)sc([C@H](Br)c2ccc(Cl)c(Br)c2)c1C 2218789033 GENWUVYCLSDDGA-LLVKDONJSA-N 473.455 7.028 50 10 JKGE Cc1cscc1[C@H](Br)c1c(Br)cc(C)c(Br)c1C 2220145723 DSLPCHOESRMLGC-AWEZNQCLSA-N 453.037 6.683 50 10 JKGE COC[C@@H]1CC[C@H]([C@H](Br)c2cc(Br)c(Br)cc2F)C1 2225619463 JKKUIHBNHVKAOM-ITMYJUKJSA-N 458.991 5.849 50 10 JKGE Fc1ccc([C@@H](Br)c2cc(Cl)ccc2I)c(F)c1F 2225929140 IFHHSUKXFSJZLK-LLVKDONJSA-N 461.446 5.846 50 10 JKGE Cc1cc(Br)c([C@@H](Br)CC(C)(C)C2CC2)c(C)c1Br 2227359580 JLHDCWYMGYMHTQ-ZDUSSCGKSA-N 453.056 7.091 50 10 JKGE Cc1ccc(F)cc1[C@@H](Br)c1c(Br)cc(C)c(Br)c1C 2235605456 RWILQDYDBJDRCI-MRXNPFEDSA-N 464.998 6.760 50 10 JKGE Cc1csc([C@@H](Br)c2sc(C)c(C)c2Br)c1Br 2246428851 XNYDBAHQMLAYFS-SNVBAGLBSA-N 459.066 6.744 50 10 JKGE CCc1cc([C@H](Br)c2cccc(Br)c2F)sc1Br 2256059865 WNAIZRIMPWPXCY-LLVKDONJSA-N 457.000 6.459 50 10 JKGE Cc1cc(Br)c(C)c([C@H](Br)[C@@H]2CCC(F)(F)C2)c1Br 2277726363 AHXZUJIJNHZQEB-NOZJJQNGSA-N 460.982 6.700 50 10 JKGE Fc1cc(C[C@@H](Br)c2ccc(Br)cc2Br)ccc1Cl 2277801272 MDDLUNQQQAUKPV-LLVKDONJSA-N 471.389 6.683 50 10 JKGE Fc1cc([C@@H](Br)c2c(F)cccc2I)c(F)c(F)c1F 2282893127 HMABVRKRFLECBX-SNVBAGLBSA-N 462.981 5.471 50 10 JKGE Cc1cc(Br)c([C@@H](Br)C2CC(S(C)(=O)=O)C2)c(C)c1Br 2285274449 NUPQGASLQYCCPG-FDZGAKKTSA-N 489.067 5.088 50 10 JKGE C[C@]1([C@@H](Br)c2c(F)cc(Br)c(F)c2Br)C[C@@H]1C(F)(F)F 2288346176 WPKKTYSJDYPFFG-CYUDJLOBSA-N 486.898 6.514 50 10 JKGE Fc1cc(Br)c(F)c(Br)c1[C@@H](Br)[C@H]1CC2(CCC2)CO1 2288351522 CJRYJRJSOOMSRN-KOLCDFICSA-N 474.965 5.885 50 10 JKGE Fc1cc(Br)c(F)c(Br)c1[C@@H](Br)C12CCC(CC1)OC2 2288482649 DDMQZHRWLBPDDJ-MBWFCSIISA-N 474.965 5.885 50 10 JKGE COc1ccc([N+](=O)[O-])cc1NC(=O)C(C#N)=Cc1ccc(-c2cc(Cl)ccc2Cl)o1 2293556334 DPNKJKPFOBYXKR-UHFFFAOYSA-N 458.257 5.716 50 10 JKGE CCCCCCOc1ccc(OCCOc2ccc(C=C(C#N)C(=O)OCC)cc2OC)cc1 2293993104 CJELKVNYVHUYCM-UHFFFAOYSA-N 467.562 5.582 50 10 JKGE COc1c(Br)cc(Cl)c(C)c1[C@H](Br)c1nn(C)cc1Br 2295264406 FKIDDMOEDBSARD-NSHDSACASA-N 487.417 5.400 50 10 JKGE CCCCCCOC(=O)c1ccccc1NC=C(C#N)c1nc(-c2cccc(OC)c2)cs1 2295948620 XLEDRKQAUPFEGZ-UHFFFAOYSA-N 461.587 6.532 50 10 JKGE Cc1cccc(C)c1NC(=O)C(C#N)=C1S[C@H](Cc2ccccc2)C(=O)N1c1ccccc1 2296506918 LQYKGCWHLUELAO-HSZRJFAPSA-N 453.567 5.368 50 10 JKGE COc1ccc(C[C@@H]2SC(=C(C#N)C(=O)Nc3ccc(C)cc3)N(c3ccc(C)cc3)C2=O)cc1 2297470708 XMHQDTLUGVZDET-VWLOTQADSA-N 483.593 5.377 50 10 JKGE C=CCOc1c(Br)cc(Br)cc1C=C(C#N)c1nc2ccccc2[nH]1 2297531736 IXRCQKWXMUASIR-UHFFFAOYSA-N 459.141 5.717 50 10 JKGE Clc1csc([C@@H](Cl)c2ccc(OCc3ccccc3)cc2Br)c1Cl 2299500620 HHUDVWWUMMVAHN-INIZCTEOSA-N 462.623 7.725 50 10 JKGE BrC[C@H](COc1cc(Br)cc(I)c1)CC1CC1 2301038729 CMWILHYXSNIBIN-SNVBAGLBSA-N 473.974 5.244 50 10 JKGE CCC[C@H](CBr)COCc1cc(I)ccc1Br 2302645989 FTBUOMWNILJTGD-SNVBAGLBSA-N 475.990 5.382 50 10 JKGE Cc1ccc(C)c(NC(=O)C(C#N)=Cc2ccccc2OCc2ccc(Br)cc2)c1 2313667579 QRGCXDBIHCQIRM-UHFFFAOYSA-N 461.359 6.191 50 10 JKGE Fc1cccc(Br)c1[C@H](Cl)c1ccc(OCc2ccccc2)cc1Br 2314453586 XYHZLVOOYITDAE-HXUWFJFHSA-N 484.590 7.258 50 10 JKGE N#CC1=C(N)Oc2cc(OC(=O)C=Cc3ccccc3Cl)ccc2[C@@H]1c1cccc2ccccc12 2314634592 LYWMKUCBPMEYMV-NDEPHWFRSA-N 478.935 6.330 50 10 JKGE CCCc1sc(Br)cc1[C@H](Cl)c1ccccc1I 2316170739 LASUGEMJUSAGFN-CQSZACIVSA-N 455.586 6.396 50 10 JKGE CO[C@]1(C(F)F)C[C@H]([C@H](Br)c2cc(Br)c(Br)s2)C1 2320068238 ILDSBZKTZRYGEI-HCPJGSBBSA-N 468.983 5.769 50 10 JKGE CCCCCCCOc1ccccc1C=NNC(=O)c1nc(Cl)c(Cl)c(N)c1Cl 2323767104 SGGRDHFHFIFETH-UHFFFAOYSA-N 457.789 5.737 50 10 JKGE Fc1cc([C@@H](Cl)c2cc(Br)sc2Br)c(Cl)cc1Cl 2326684785 GHBZWQDECNVVPU-SNVBAGLBSA-N 453.385 7.047 50 10 JKGE Cc1ccc(C=CC(=O)Nc2cccc3c(OC(=O)Nc4ccc(SC#N)cc4)cccc23)cc1 2327383328 DFJDMJQKRCUKRK-UHFFFAOYSA-N 479.561 6.984 50 10 JKGE Cc1ccc(CBr)c(OCc2cc(Br)sn2)c1Br 2327789709 OFYBALUCOCZNTL-UHFFFAOYSA-N 455.997 5.450 50 10 JKGE CC(C)[C@H](NC(=O)OC(C)(C)C)C(=O)NN=Cc1ccc(OCc2c(F)cccc2Cl)cc1 2328833125 DYBXDUIUYQVICU-NRFANRHFSA-N 477.964 5.058 50 10 JKGE COc1cc2nc(C(C#N)=Cc3cccc(OC)c3OCc3ccc(F)cc3)nc(O)c2cc1OC 2331042697 XXYSVMQOLMPDPD-UHFFFAOYSA-N 487.487 5.143 50 10 JKGE COc1cc(C(O)=C(C#N)c2nc(-c3ccc(C(C)C)cc3)cs2)c([N+](=O)[O-])cc1OC 2331343031 OEZLBXQZWDDLRW-UHFFFAOYSA-N 451.504 5.809 50 10 JKGE COc1ccc(C(C)(C)C)cc1-c1csc(C(C#N)=C(O)Cc2ccc(NC(C)=O)cc2)n1 2331349000 IODPKYCQLQKCBM-UHFFFAOYSA-N 461.587 6.110 50 10 JKGE COc1c(C)cc(C)cc1-c1csc(C(C#N)=C(O)c2ccc(N3CCCC3)c([N+](=O)[O-])c2)n1 2331376361 VYPYVVMPYKOHSJ-UHFFFAOYSA-N 476.558 5.894 50 10 JKGE COc1cc(C)c(-c2csc(C(C#N)=C(O)[C@@H]3CC(=O)N([C@H](C)c4ccccc4)C3)n2)cc1C 2331402819 UXLIGRFEVZQHJD-UYAOXDASSA-N 473.598 5.838 50 10 JKGE Fc1cc(Br)c(Br)cc1[C@@H](Br)[C@@H]1CC[C@@H]2[C@H]1C2(F)F 2333605817 YYCPBWVOSDOIDX-KILAKLSJSA-N 462.929 6.078 50 10 JKGE COc1cc(Cl)ccc1[C@H](Cl)c1cc(Br)ccc1OCc1ccccc1 2336049309 BKKZPQZXAWKCPI-NRFANRHFSA-N 452.175 7.018 50 10 JKGE COc1c([C@H](Br)c2cnsc2Br)cc(Br)c(C)c1C 2337307793 NAMIKPWCALFEBU-NSHDSACASA-N 470.024 5.778 50 10 JKGE Cc1cc(Br)c(F)c(Br)c1[C@@H](Br)CC[C@@H]1CCCO1 2339647271 ZHHYDROFWVQZRG-UWVGGRQHSA-N 458.991 6.054 50 10 JKGE Cc1cc(Br)c(F)c(Br)c1[C@@H](Br)C1CC(C2CC2)C1 2339652181 WUVFVMMOIQJUCS-ZPPKWKGLSA-N 455.003 6.531 50 10 JKGE Cc1cc([C@H](Br)c2c(C)cc(Br)c(F)c2Br)oc1C 2339656596 PJHMAIHOSDWHIT-LBPRGKRZSA-N 454.959 6.353 50 10 JKGE Clc1cc(Cl)cc(CC[C@H](Cl)c2cc(Br)c(Br)s2)c1 2341180134 XNBINXNEQBUKKG-NSHDSACASA-N 463.449 7.493 50 10 JKGE Fc1c(Br)cc(Cl)c([C@H](Br)[C@@H]2C[C@H]3CCCC[C@H]32)c1Br 2362227019 ZFOOVFMRRUKARU-WBPNIITGSA-N 489.448 7.266 50 10 JKGE CC1(C)CCC[C@@]12[C@@H](Oc1cc(Br)cc(I)c1)C[C@H]2Cl 2364267041 FTVWYXCHBANVCB-IJEWVQPXSA-N 469.588 6.009 50 10 JKGE Cc1cc(Br)c(F)c(Br)c1[C@@H](Br)C1CC(C(F)(F)F)C1 2365188570 MNYVLPWZBIPWBF-QIMWKCOFSA-N 482.935 6.684 50 10 JKGE COc1ccc([C@@H]2C(C#N)=C(C)N(c3[nH]nc(C)c3-c3ccccc3)C3=C2C(=O)CCC3)cc1 2231195 YFRYHOKVNFAVCZ-AREMUKBSSA-N 450.542 5.802 50 10 JKGE Cc1ccc(CNC(=O)/C(C#N)=C/c2cn(-c3ccccc3)nc2-c2ccc(Cl)cc2)cc1 2768436 APDQNEMEMLLNOM-PXLXIMEGSA-N 452.945 5.725 50 10 JKGE C=CCOc1ccc(Br)cc1/C=C(/C#N)C(=O)Nc1cc(Cl)cc(Cl)c1 3232196 PRAXDCVDIKBYGC-MLPAPPSSSA-N 452.135 5.866 50 10 JKGE COc1ccc(/C=N/NC(=O)Cc2c[nH]c3ccccc23)cc1CSc1nc2ccccc2o1 27499428 DVOYAJZVEYUSLF-CCVNUDIWSA-N 470.554 5.303 50 10 JKGE CCOC(=O)c1ccc(-c2ccc(/C=C(\C#N)c3nc(-c4ccc5ccccc5c4)cs3)o2)cc1 28356316 BITGINVZGXHLBD-LFVJCYFKSA-N 476.557 7.464 50 10 JKGE CCOc1ccc(-c2nn(-c3ccccc3)cc2/C=C2/C(=O)N(CC(C)C)C(=O)C(C#N)=C2C)cc1F 38605508 ZOBSORHEOKQPFJ-YDZHTSKRSA-N 498.558 5.325 50 10 JKGE N#CC1=C(N)Oc2cc(OC(=O)c3ccccc3Br)ccc2[C@@H]1c1ccccc1F 38651883 RMESFANRVOONHJ-NRFANRHFSA-N 465.278 5.026 50 10 JKGE CCCOc1cccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)COc4c(C)cccc4C)ccc32)c1 38684431 FGYBVXSUQXMMIB-MHZLTWQESA-N 484.552 5.295 50 10 JKGE CCCCOc1cccc(C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@@H]3c2cccc(OCCC)c2)c1 38684473 MQPXMPVOQWTXNQ-MUUNZHRXSA-N 498.579 6.092 50 10 JKGE O=C(CCCSc1nnc(CCc2ccccc2)n1-c1ccccc1)N/N=C/c1ccccc1 58986691 ZDYPOMQDESYPEV-SGWCAAJKSA-N 469.614 5.075 50 10 JKGE C[C@@H](SCc1ccccc1)C(=O)N/N=C1/C(=O)N(Cc2c(Cl)cccc2Cl)c2ccccc21 59165193 GMSYGQOZRFEFPD-JXTGBMFUSA-N 498.435 5.682 50 10 JKGE CCOc1cc(/C=N/NC(=O)c2cc3cc(Br)ccc3o2)c(Br)cc1OC 59304185 XOHHPNBEIWBEKS-LSHDLFTRSA-N 496.155 5.129 50 10 JKGE Cc1ccc(CS/C(Nc2cc(Cl)ccc2C)=C(/C#N)S(=O)(=O)c2ccccc2)cc1 96482149 KDESBAOYTINSPF-VHXPQNKSSA-N 469.031 6.469 50 10 JKGE N#C/C(=C(/O)c1ccccc1C(=O)c1ccccc1)c1nc2cc(C(F)(F)F)ccc2s1 101018215 VAPQTVSMIHNUOR-PYCFMQQDSA-N 450.441 6.496 50 10 JKGE CCCOc1cccc(-c2nn(-c3ccccc3)cc2/C=C2/C(=O)N(CCC)C(=O)C(C#N)=C2C)c1 101332843 BPQAGBQRPAMCCI-KOEQRZSOSA-N 480.568 5.330 50 10 JKGE COc1cccc(-c2csc(/C(C#N)=C\Nc3ccc4c(C(F)(F)F)cc(=O)oc4c3)n2)c1 102421619 ZCKLCCFRJCGVAH-KAMYIIQDSA-N 469.444 5.920 50 10 JKGE COc1cc(/C=C(\C#N)c2nc(-c3cccc(Br)c3)cs2)cc(OC)c1OC(C)=O 102456996 VLSAMSGCTYAFLO-FRKPEAEDSA-N 485.359 5.579 50 10 JKGE CCOC(=O)c1c(N/C=C(\C#N)c2nc(-c3ccc(-c4ccccc4)cc3)cs2)sc(C)c1C 102924758 NUVUAOHAAPQQOD-PXLXIMEGSA-N 485.634 7.309 50 10 JKGE Brc1cc([C@@H](Br)[C@@H]2CCCc3ccccc32)c(Br)s1 109870168 UMSBYOFXQXKCEA-RISCZKNCSA-N 465.048 6.829 50 10 JKGE Cc1ccc(Br)cc1[C@@H](Br)c1cc(F)c(Br)cc1F 114980692 KIJCDDAJVXRNOE-CQSZACIVSA-N 454.934 6.283 50 10 JKGE COc1cc(C)c(Br)cc1[C@H](Br)Cc1ccc(Br)cc1 115867004 QBSAGYZKVZLQEX-OAHLLOKOSA-N 463.007 6.207 50 10 JKGE Fc1cc([C@H](Br)c2cc(Br)c(Br)s2)cc(F)c1F 128214434 LZWBFVQPXGAJTE-VIFPVBQESA-N 464.926 6.175 50 10 JKGE CCCCCCCCCCC[C@H](Br)c1cc(Br)c(Br)s1 128294341 UGCMJUJYENJQIM-ZDUSSCGKSA-N 489.155 8.630 50 10 JKGE Cc1cc(Br)c([C@H](Cl)c2ccc(Br)cc2C)cc1Br 128649592 FPHACJNLVWUTFX-OAHLLOKOSA-N 467.426 6.919 50 10 JKGE Brc1cc([C@H](Br)c2ccc3c(c2)CCCC3)sc1Br 128858376 ZTWCVQATLVDAJZ-CQSZACIVSA-N 465.048 6.636 50 10 JKGE CCn1nc(C)c(Br)c1COc1ccc(Br)c(CBr)c1 129018289 TVMJRDNBTFXCAT-UHFFFAOYSA-N 466.999 5.210 50 10 JKGE CC(C)(C)C1CCC(CI)(OCc2ccccc2Br)CC1 162554499 IBRKODREQWOBMX-UHFFFAOYSA-N 465.213 6.376 50 10 JKGE CCOc1cc(/C=C2\C(=O)N(C3CCCC3)C(=O)C(C#N)=C2C)ccc1OCc1ccc(F)cc1 214361934 STTJJWSYYZGIIW-UCQKPKSFSA-N 474.532 5.338 50 10 JKGE CCOC(=O)c1ccccc1NC(=O)/C(C#N)=C\Nc1cc(C(F)(F)F)cc(C(F)(F)F)c1 217156674 OBRDUXOOBYKIJL-QXMHVHEDSA-N 471.357 5.359 50 10 JKGE ClCc1nc2cc(I)ccc2n1-c1ccc(Br)c(Cl)c1 232176488 SZNSELGCMOKIQR-UHFFFAOYSA-N 481.946 5.785 50 10 JKGE O=C(NCC1(CBr)CCCCC1)c1cc(Br)sc1Br 232471627 XTDACFZDOAZBLZ-UHFFFAOYSA-N 474.056 5.348 50 10 JKGE COc1cc(C=NNC(=O)[C@@H]2[C@H]3CCCC[C@]32C)ccc1OCc1ccc(Br)cc1 254486572 HKLUFKGORBVYLG-WNOPAQSVSA-N 471.395 5.313 50 10 JKGE CC(=NNC(=O)CCCOc1ccc(Cl)cc1C)c1ccc(NC(=O)c2cccs2)cc1 254486911 LMOXMDCWKHYCAH-UHFFFAOYSA-N 469.994 5.662 50 10 JKGE C/C(C=NNC(=O)c1cc(C(=O)NN=C/C(C)=C/c2ccccc2)c(C)nc1C)=C\c1ccccc1 254745558 KMKWLTQUAQNINI-UCDKLLGNSA-N 479.584 5.337 50 10 JKGE CCN(C[C@](C)(CBr)OCc1ccc(Br)cc1)C(=O)OC(C)(C)C 303741097 GEJFSCCXJXTAHO-SFHVURJKSA-N 465.226 5.376 50 10 JKGE FC1(F)CCCC[C@H]1COc1c(Br)cc(CBr)cc1Br 381611385 PHGWSSOKNPWHSC-JTQLQIEISA-N 476.981 6.311 50 10 JKGE Clc1cc(Br)ccc1[C@H](Cl)c1cc(Cl)c(Cl)c(Cl)c1Cl 404894282 YGLQLLFNEXCXQW-JTQLQIEISA-N 453.805 8.044 50 10 JKGE CC(C)(C)[Si](C)(C)OCCc1ccccc1[C@H]1CCCN(S(=O)(=O)c2ccccc2)CC1 616600155 FFEGRBXXCZSPPQ-QFIPXVFZSA-N 473.755 6.209 50 10 JKGE Cc1cc(I)cc(-n2c(CCl)nc3c(Br)cccc32)c1 690599425 HTXQKGBFPMCIPT-UHFFFAOYSA-N 461.528 5.440 50 10 JKGE Cc1cc(C)c([C@@H](Br)c2scc(Br)c2Br)c(C)c1 707819160 LRCXGVGILAAYOZ-CYBMUJFWSA-N 453.037 6.683 50 10 JKGE Clc1scnc1CC(CBr)(CBr)c1ccc(Br)cc1 711640186 MCMHRKFQCAMHFT-UHFFFAOYSA-N 488.470 5.829 50 10 JKGE N#C/C(=C/c1cccc(OC(=O)c2ccc(Cl)cc2)c1)C(=O)Nc1cc(Cl)ccc1Cl 1083973177 NNOTXKDHFWHWPK-YBEGLDIGSA-N 471.727 6.412 50 10 JKGE O=C(CSC1c2ccccc2-c2ccccc21)NN=Cc1ccc(OCc2cccc(Cl)c2)cc1 1084056314 DUMSLSVZHJBYEP-UHFFFAOYSA-N 499.035 6.872 50 10 JKGE CCN(CC)c1ccc(C=NNC(=O)c2cn(Cc3ccccc3Cl)c3ccccc23)c(O)c1 1084502628 VJSCBEKAUZYRKX-UHFFFAOYSA-N 474.992 5.659 50 10 JKGE C=CCc1cc(/C=C(\C#N)C(=O)Nc2ccc(C)cc2)ccc1OCc1ccc([N+](=O)[O-])cc1 1084527862 RMQSJMMVFULFFO-XQNSMLJCSA-N 453.498 5.756 50 10 JKGE Cc1c(C(=O)Nc2cc(Cl)cc(Cl)c2)oc2c1C(=NNC(=O)c1ccncc1)CCC2 1772745878 MOFVGMBIBDEKNB-UHFFFAOYSA-N 457.317 5.013 50 10 JKGE COc1ccc(-c2nn(-c3ccc(Cl)c(Cl)c3)c3c2[C@@H](c2ccccc2)C(C#N)=C(N)O3)cc1 1865680233 DAJXTSPRUYUVMK-QFIPXVFZSA-N 489.362 6.073 50 10 JKGE Cc1ccc(C)c(Cn2nc(C(F)(F)F)c3c2OC(N)=C(C#N)[C@@H]3c2ccc(Cl)c(Cl)c2)c1 1865684849 ABVOOPNELQSNQZ-SFHVURJKSA-N 493.316 6.092 50 10 JKGE CCCCOc1ccc([C@H]2C(C#N)=C(N)Oc3c2c(CCC)nn3-c2ccc(C)cc2)cc1OC 1865697397 RIKYRGGRBFUGSS-VWLOTQADSA-N 472.589 5.539 50 10 JKGE N#CC1=C(N)Oc2c(c(C(F)(F)F)nn2Cc2ccc(Cl)cc2)[C@@H]1c1c[nH]c2ccccc12 1865700503 VSLKQNHWJQOELB-SFHVURJKSA-N 469.854 5.303 50 10 JKGE N#CC1=C(N)Oc2c(c(-c3ccccc3)nn2Cc2cccc(F)c2)[C@H]1c1ccc(F)cc1F 1865702287 RSUMIZMAICBJBH-QFIPXVFZSA-N 458.443 5.234 50 10 JKGE N#CC1=C(N)Oc2c(c(C(F)(F)F)nn2-c2cccc(Cl)c2)[C@H]1c1ccc(Cl)c([N+](=O)[O-])c1 1865706350 ULCGWCIGUZLFBA-HNNXBMFYSA-N 496.232 5.324 50 10 JKGE COc1ccc([C@H]2C(C#N)=C(N)Oc3c2c(-c2ccccc2)nn3Cc2cccc(Cl)c2)c(OC)c1 1865708634 ZSDCEGOJNWXMGN-DEOSSOPVSA-N 498.970 5.487 50 10 JKGE CCc1ccc([C@H]2C(C#N)=C(N)Oc3c2c(-c2ccc(OC)cc2)nn3Cc2ccc(C)cc2)cc1 1865709539 XRUIDUCXWGSDSR-SANMLTNESA-N 476.580 5.696 50 10 JKGE COc1ccccc1[C@@H]1C(C#N)=C(N)Oc2c1c(-c1ccccc1)nn2Cc1c(F)cccc1Cl 1865709910 JXCPQKOHJOFASE-HSZRJFAPSA-N 486.934 5.618 50 10 JKGE CCOC(=O)c1c(-c2ccc(F)cc2)csc1NC(=O)/C(C#N)=C/c1ccc(OCCOC)cc1 1866215229 IYOHWDGBUOLNPC-XMHGGMMESA-N 494.544 5.302 50 10 JKGE CSCC[C@H](NC(=O)C[C@H](c1ccc(F)c(C)c1)C(C)C)C(=O)Nc1ccc(SC#N)cc1 1866766252 LOHXMGBNIQLNEP-GMAHTHKFSA-N 487.666 5.714 50 10 JKGE N#C/C(=C(/O)c1c(Cl)ccc(Cl)c1Cl)c1nc(-c2cccc(Br)c2)cs1 1872745793 CPOGDUIVLSIVPW-BOPFTXTBSA-N 486.605 7.483 50 10 JKGE C[C@@H](c1ccccc1)N1C[C@@H](/C(O)=C(\C#N)c2nc(-c3cccc(Br)c3)cs2)CC1=O 1872745962 LKRSHEORUYBXJV-TURIDRHPSA-N 494.414 5.975 50 10 JKGE COc1cc(/C(O)=C(\C#N)c2nc(-c3ccc(Br)cc3)cs2)c([N+](=O)[O-])cc1OC 1872746284 AUUMEPKLRCHQOC-RGEXLXHISA-N 488.319 5.448 50 10 JKGE COc1ccc(C/C(O)=C(\C#N)c2nc(-c3cc(C)c(Cl)cc3OC)cs2)cc1OC 1872755626 XGGPFHCEGYSULP-MNDPQUGUSA-N 456.951 5.833 50 10 JKGE CCOc1cc(/C=C(\C#N)c2nc(-c3ccc(C)cc3)cs2)ccc1OCc1ccc(C)cc1 1872790615 UGWZUPKBUGHCTC-MFKUBSTISA-N 466.606 7.469 50 10 JKGE CCCCCOc1ccc(/C=C(\C#N)c2nc(-c3ccc4c(c3)OCCO4)cs2)cc1OCC 1872791427 HRIBAFVPXORQDZ-KGENOOAVSA-N 476.598 6.613 50 10 JKGE CCCCCCCOc1ccc(-c2csc(/C(C#N)=C/c3ccc(N(CC)CC)cc3)n2)cc1 1872792008 ZIDHGHGFJIYEGT-LKUDQCMESA-N 473.686 8.070 50 10 JKGE ClC[C@@H](C1CC1)N(Cc1ccccc1)Cc1ccc(Cl)c(I)c1 1900404403 HUADFWYTYYVCAP-IBGZPJMESA-N 460.186 5.964 50 10 JKGE Cc1c(Br)sc([C@@H](Cl)c2ccccc2OCc2ccccc2)c1Br 1922887145 MGBHGAPGWWTBMV-KRWDZBQOSA-N 486.656 7.489 50 10 JKGE Cc1c(Br)sc([C@@H](Cl)c2cc(Cl)ccc2Br)c1Br 1922946548 SHWPSRZFJFJPMG-JTQLQIEISA-N 493.873 7.326 50 10 JKGE COc1ccc(OC)c([C@@H](Br)c2sc(Br)cc2Br)c1 1922953269 BMPUOACNEIXWNU-GFCCVEGCSA-N 471.008 5.775 50 10 JKGE Clc1c(Br)sc(Br)c1[C@H](Br)C1CCCCC1 1923067536 DSHRGSPCCYCEQV-MRVPVSSYSA-N 451.449 6.943 50 10 JKGE C[C@@H](c1ccncc1Br)[C@@H](Br)c1cc(Cl)cc(Br)c1 1924041027 STSFYUCCLGMSRS-RMLUDKJBSA-N 468.414 6.500 50 10 JKGE Clc1ccc(C[C@H](Cl)c2c(Br)sc(Br)c2Br)cc1 1924591455 RMMSIATXTUYRTC-QMMMGPOBSA-N 493.873 7.212 50 10 JKGE Clc1sc(Br)c(Cl)c1[C@@H](Cl)c1ccccc1OCc1ccccc1 1925602024 YRCNUZYPWNCZGU-HNNXBMFYSA-N 462.623 7.725 50 10 JKGE C[C@]1([C@H](Br)c2cc(Br)c(Br)s2)C[C@H]1C(F)(F)F 1950758143 RTWZJPPHFDYELH-BHNWBGBOSA-N 456.947 6.298 50 10 JKGE Fc1cc(Cl)c(Br)cc1[C@@H](Br)c1ccc(Br)cc1 2036572658 RNVCQIOKXQPFHS-ZDUSSCGKSA-N 457.362 6.488 50 10 JKGE O=C(N[C@@H](CBr)c1cccs1)c1cc(Br)c(Br)s1 2055479305 LBAZBRIAONAEMD-ZETCQYMHSA-N 474.037 5.201 50 10 JKGE FC(F)(F)c1c(I)c(CBr)nn1Cc1ccccc1C1CC1 2079245422 DOZFEPVTHFAPQY-UHFFFAOYSA-N 485.085 5.327 50 10 JKGE Cc1cc(Cl)c(Br)cc1[C@H](Cl)c1cc(Br)c(Br)s1 2082382549 OYSIUEPKLYCUFY-NSHDSACASA-N 493.873 7.326 50 10 JKGE BrCc1cc(Br)cc(Br)c1OCC1[C@H]2CCCC[C@H]12 2093712541 ALWIGOUUWFGCJR-RYUDHWBXSA-N 453.012 5.922 50 10 JKGE Brc1cccc(C[C@@H]2C[C@@H]3CCCC[C@@H]3[C@H]2Br)c1Br 2095363836 UOXIRZKJYZXQOB-NHULGOKLSA-N 451.040 6.344 50 10 JKGE Cn1cnc2sc([C@@H](Cl)c3c(Br)sc(Br)c3Cl)cc21 2118608741 IQZVQJSYTPHBBZ-SSDOTTSWSA-N 461.031 6.203 50 10 JKGE FC1(F)CC2(C1)C[C@@]2(CBr)Cc1cc(Cl)ccc1I 2132886895 BVYBAFHYISDVCZ-GFCCVEGCSA-N 461.515 5.688 50 10 JKGE Brc1ccc(Br)c([C@H](Br)[C@H]2C[C@@H]2C2CCOCC2)c1 2135279334 VQWFEVAKIDQZJE-TYNCELHUSA-N 453.012 5.710 50 10 JKGE FC1(F)CCOC[C@@H]1COc1c(Br)cc(CBr)cc1Br 2170265377 CMSSMXZWRMWINM-SECBINFHSA-N 478.953 5.157 50 10 JKGE C[C@@H](Cl)c1nc2ncccc2n1-c1ccc(Br)c(I)c1 2175996211 ABOVZOXPFQWKGX-MRVPVSSYSA-N 462.516 5.087 50 10 JKGE COC1(C(F)(F)F)CC([C@H](Cl)c2sc(Br)c(C)c2Br)C1 2182019372 IDCNSKCYCKPSSB-WINXVSCGSA-N 456.549 6.219 50 10 JKGE CC1(C)CCCN(C(=O)c2c(Br)cccc2Br)[C@@H]1CBr 2185813304 VUTHARVWJSZCLU-GFCCVEGCSA-N 468.027 5.237 50 10 JKGE Cc1cc([C@H](Cl)c2cc(Br)c(Br)cc2F)c(Br)s1 2218595878 BFDDLZAEZKULDX-LLVKDONJSA-N 477.418 6.811 50 10 JKGE Brc1cc([C@H](Br)c2ccc3c(c2Br)CCO3)cs1 2222189150 MHCVCGAWXKQRGC-LBPRGKRZSA-N 452.993 5.692 50 10 JKGE Cc1c(Br)ccc([C@H](Br)[C@@H]2CC[C@H]2C(F)(F)F)c1Br 2224380447 QYSASINRNGOWPY-JWKOBGCHSA-N 464.945 6.545 50 10 JKGE Fc1cc(F)c([C@H](Br)c2scc(Cl)c2Cl)c(F)c1Br 2227810479 WBFJHUVNPOGTCS-QMMMGPOBSA-N 454.920 6.719 50 10 JKGE Cc1cc(Br)c([C@H](Br)c2c(C)oc(C)c2C)c(C)c1Br 2235605439 RSGKFQGGKWTNJZ-MRXNPFEDSA-N 465.023 6.831 50 10 JKGE CCc1nn(C)c([C@H](Br)Cc2ccc(Br)cc2Cl)c1Br 2237449541 YJSVLWWGFONJHG-SNVBAGLBSA-N 485.445 5.840 50 10 JKGE O=[N+]([O-])c1c(Br)cccc1Oc1ccc(CBr)cc1Br 2240738471 HSAKNLWPZRCOKM-UHFFFAOYSA-N 465.923 5.807 50 10 JKGE Brc1ccc(Br)c(CN2C[C@@H](Br)CC23CCCCC3)c1 2241046690 MFFXOHDGOGBRRV-AWEZNQCLSA-N 466.055 5.884 50 10 JKGE Brc1cc(Br)cc(C[C@@H](Br)C2(Br)CCC2)c1 2246001579 GKLQVCLTWDCNME-LLVKDONJSA-N 475.844 5.835 50 10 JKGE Fc1cc(F)c(CBr)c(Oc2cc(I)ccc2Cl)c1 2272639745 UKIWMSPYFRZGMB-UHFFFAOYSA-N 459.455 5.910 50 10 JKGE COc1cc(Cl)c(Cl)cc1[C@H](Br)c1ccc(Cl)cc1Br 2279056914 SYIGCZAFAFGKCT-CQSZACIVSA-N 459.392 6.902 50 10 JKGE Cc1sc([C@H](Br)c2cc(Br)cc(C(C)C)c2)c(Br)c1C 2280667031 CFTBIZSPNGZVIW-OAHLLOKOSA-N 481.091 7.498 50 10 JKGE COc1cc(C)c(Br)c(C)c1[C@H](Br)c1ccc(OCc2ccccc2)cc1 2285091587 OYWUECSNKAYHQD-HSZRJFAPSA-N 490.235 7.138 50 10 JKGE Cc1cc(F)c(Br)cc1[C@@H](Br)c1ccc(F)c(Br)c1F 2285983872 MBRXOIXVUSXWPR-LBPRGKRZSA-N 472.924 6.422 50 10 JKGE Fc1cc(Cl)c([C@H](Cl)c2cc(C3CC3)c(Br)s2)cc1Br 2285986499 XCRRCHBHDKHKCT-ZDUSSCGKSA-N 459.005 7.271 50 10 JKGE Clc1ccc(I)c(C[C@@H](CBr)CCc2ccccc2)c1 2286751298 ZURSXODVRPTDSV-AWEZNQCLSA-N 463.584 6.131 50 10 JKGE BrC[C@H](CCc1ccccc1)Cc1c(Br)cccc1Br 2286757471 MZYOQGDMIMWOQJ-CQSZACIVSA-N 461.035 6.398 50 10 JKGE CCOc1ccccc1NC(SCc1cccc([N+](=O)[O-])c1)=C(C#N)C(=O)NCc1ccccc1 2297414583 PCYJQRGHKFEGJQ-UHFFFAOYSA-N 488.569 5.390 50 10 JKGE FC(F)COCC[C@@H](Br)c1cc(Br)ccc1OCc1ccccc1 2299493236 KRAHGUYXRYNKQM-MRXNPFEDSA-N 464.144 6.136 50 10 JKGE Cl[C@@H](c1ccc(Br)cc1)c1cc(Br)ccc1OCc1ccccc1 2299533668 VMCVHPYHQGPELX-FQEVSTJZSA-N 466.600 7.119 50 10 JKGE Fc1ccc([C@H](Br)c2sc(Cl)cc2I)cc1Cl 2301083996 NWORVTCJPZFKEB-JTQLQIEISA-N 465.940 6.283 50 10 JKGE COc1cc(C=C(C#N)C(=O)NC2CCCCC2)ccc1OCc1ccc(Cl)c(Cl)c1 2313511053 LDCHAQWTZQRFTI-UHFFFAOYSA-N 459.373 5.937 50 10 JKGE C=CCc1cc(C=C(C#N)C(=O)Nc2ccc(C)cc2)cc(OC)c1OCc1cccc([N+](=O)[O-])c1 2313567600 IQYHUOYWEMSSOA-UHFFFAOYSA-N 483.524 5.765 50 10 JKGE Cc1c(C=C(C#N)C(=O)N2CCN(c3ccccc3)CC2)c2ccccc2n1Cc1ccc(Cl)cc1 2313568511 WHZSELRSPDGCGN-UHFFFAOYSA-N 495.026 5.907 50 10 JKGE COc1ccc(C=C(C#N)C(=O)Nc2ccc(C)cc2)cc1OCc1ccc(Br)cc1 2313631741 UZVWYWBTGKPFCI-UHFFFAOYSA-N 477.358 5.891 50 10 JKGE CCOc1cc(C=C(C#N)C(=O)Nc2ccc(Cl)cc2)ccc1OC(=O)c1ccc(OC)cc1 2313631961 ZUNRKLUGUODUTK-UHFFFAOYSA-N 476.916 5.512 50 10 JKGE C[C@]1(C(F)(F)F)C[C@@H]1[C@H](Br)c1ccc(OCc2ccccc2)cc1Br 2314497220 IVEZNWAAZJZWGH-NXHRZFHOSA-N 478.146 7.053 50 10 JKGE COc1cc(C=C(C#N)c2ccccc2)ccc1OC(=O)COc1ccc(Cl)cc1Cl 2314716911 ADKULXLXIFYRRK-UHFFFAOYSA-N 454.309 6.051 50 10 JKGE CCCCCCOC(=O)c1ccc(NC(=O)C(C#N)=Cc2ccc(OCC)c(OC)c2)cc1 2314729187 YJJGUALJAJEQRW-UHFFFAOYSA-N 450.535 5.377 50 10 JKGE COc1cc(C=C(C#N)C(=O)NCc2ccccc2)ccc1OC(=O)C=Cc1ccccc1Cl 2314737237 TUIRSHFVJRKLST-UHFFFAOYSA-N 472.928 5.191 50 10 JKGE Cc1c(Br)ccc([C@@H](Cl)c2c(Br)ncn2C)c1Br 2315594394 UJXFBUOLFYNPJG-SNVBAGLBSA-N 457.391 5.344 50 10 JKGE C[C@]12C[C@H](C1)[C@H]([C@@H](Br)c1c(Br)sc(Br)c1Cl)CO2 2315924656 NNWQYTZONBQPPS-NZKKVVHASA-N 479.459 6.178 50 10 JKGE Fc1ccc([C@@H](Br)c2sc(Cl)cc2I)c(F)c1F 2316599767 WJNMPBXDPZBUMK-MRVPVSSYSA-N 467.475 5.908 50 10 JKGE BrCc1cc(Br)ccc1Oc1cc(Br)cc(Br)c1 2316836016 NKLJLTJCWXOYIN-UHFFFAOYSA-N 499.822 6.661 50 10 JKGE COc1cc([C@@H](Cl)c2cc(Br)ccc2OCc2ccccc2)sc1Cl 2317955763 RSEWKXPZFNHGCG-SFHVURJKSA-N 458.204 7.080 50 10 JKGE Fc1cc(Cl)c([C@@H](Cl)c2cc(Br)sc2Br)c(Cl)c1 2318359693 WEMKPHYUUZNVGE-JTQLQIEISA-N 453.385 7.047 50 10 JKGE CCOc1ccc(C=NNC(=O)c2ccc(-c3ccc(Cl)c(Cl)c3)nc2C)cc1OC 2321250709 ABCNDJLPAFCWFP-UHFFFAOYSA-N 458.345 5.535 50 10 JKGE N#CC(=C(O)CN1C(=O)COc2ccc(Cl)cc21)c1nc(-c2ccc(Cl)cc2Cl)cs1 2331254535 YDKYJQCBFGMLMK-UHFFFAOYSA-N 492.771 5.989 50 10 JKGE COc1c(Cl)ccc(Cl)c1C(O)=C(C#N)c1nc(-c2cccc(Br)c2)cs1 2331278839 MOEGTCZHTRWZCF-UHFFFAOYSA-N 482.186 6.838 50 10 JKGE CCOc1ccc(OCC)c(-c2csc(C(C#N)=C(O)COc3ccc(Cl)cc3)n2)c1 2331376592 WBGSSSROQQVPJD-UHFFFAOYSA-N 456.951 6.133 50 10 JKGE CCOc1ccc(C=CC(O)=C(C#N)c2nc(-c3cc(Cl)cc(C)c3OC)cs2)cc1OC 2331391964 ZZHXCWMBGQNXJB-UHFFFAOYSA-N 482.989 6.694 50 10 JKGE CCCCc1ccc(-c2csc(C(C#N)=Cc3ccc(OCc4ccccc4C)cc3)n2)cc1 2331430069 HYWJPIRTRGSSPV-UHFFFAOYSA-N 464.634 8.104 50 10 JKGE CCOc1cc(C=C(C#N)c2nc(-c3cccc(Cl)c3)cs2)ccc1OCc1ccc(C)cc1 2331439759 KDXJKPDWQUTQTQ-UHFFFAOYSA-N 487.024 7.814 50 10 JKGE COc1ccc(-c2csc(C(C#N)=Cc3ccc(OCc4ccccc4C)cc3)n2)c(OC)c1OC 2331492840 VAVYPROYPOXDAQ-UHFFFAOYSA-N 498.604 6.788 50 10 JKGE Cc1cc([C@@H](Br)c2cc(Br)ccc2OCc2ccccc2)cc(C)c1F 2336051478 SBYFDCFZMAIITD-OAQYLSRUSA-N 478.199 7.268 50 10 JKGE CC1(C)CC[C@H]([C@@H](Br)c2c(Cl)cc(Br)c(F)c2Br)C1 2337083954 GBSXZWMRWRJZFA-WRWORJQWSA-N 477.437 7.266 50 10 JKGE CCN[C@@H](c1c(Cl)cc(Br)c(F)c1Br)C1CC(Br)C1 2337108889 KJDRQDFWPXJUIR-HKSSTPRTSA-N 478.425 5.828 50 10 JKGE CC[C@@H]1OCC[C@@H]1[C@@H](Br)c1c(Cl)cc(Br)c(F)c1Br 2337114604 RXVMSHLUZOBNLC-DQBIJJQNSA-N 479.409 6.255 50 10 JKGE Clc1ccc(CN2[C@H](CBr)C[C@@H]3CCC[C@@H]32)cc1I 2337224305 XOKFMDYETDGCSV-HUBLWGQQSA-N 454.577 5.083 50 10 JKGE Cn1cnc(Br)c1[C@@H](Cl)c1c(Cl)cc(Br)c(F)c1Br 2337277399 SNZRNSIHPMZMOX-QMMMGPOBSA-N 495.799 5.828 50 10 JKGE CC(C)(C)OC(=O)NCC[C@@H]1CCN(CCCCCI)[C@H](C(F)(F)F)C1 2337586831 BZXMAHAKZWBYGJ-CABCVRRESA-N 492.364 5.149 50 10 JKGE Cc1cc(F)c(Cl)cc1[C@@H](Br)c1c(Br)c(Br)nn1C 2338720020 NGISVUHXYILRSF-SECBINFHSA-N 475.381 5.530 50 10 JKGE Fc1ccccc1[C@H](Br)CCc1ccc(Cl)cc1I 2341059574 MGTYDWYXBKSZJL-CYBMUJFWSA-N 453.520 6.153 50 10 JKGE Cl[C@H]1CCCC[C@H](CNCc2ccc(I)c(Br)c2)C1 2349839916 KRPIBSXXWJJEFO-AAEUAGOBSA-N 456.593 5.331 50 10 JKGE FC(F)(F)[C@H]1C[C@H](Br)CCN1Cc1ccc(Cl)c(I)c1 2362368120 KDAZHYYTAAZHLG-BXKDBHETSA-N 482.509 5.235 50 10 JKGE Cc1c(Br)sc([C@H](Br)C23COC(C(F)(F)F)(C2)C3)c1Br 2363909509 ZYTWGOVMARUESH-PUSIOWJLSA-N 498.984 6.129 50 10 JKGE Cc1cc(Br)c(F)c(Br)c1[C@@H](Cl)c1c(Br)c(C)nn1C 2365232231 QDRZYUCFKYODHK-LLVKDONJSA-N 489.408 5.792 50 10 JKGE O=C(Nc1cccc(CCBr)c1)c1ccc(Cl)cc1I 2365590002 BOEWTKVFJJIIBZ-UHFFFAOYSA-N 464.528 5.134 50 10 JKGE CC[C@H](OCc1ccc(I)c(Br)c1)c1nc(CCl)cs1 2377635587 AIZYEUACYCFYBP-ZDUSSCGKSA-N 486.600 5.917 50 10 JKGE FC(F)(F)CC1CCC([C@H](Br)c2sc(Cl)cc2Br)CC1 2381922552 CUUWRNPILHEEAQ-AYVLWNQUSA-N 454.577 7.359 50 10 JKGE COc1cc(/C=C(/C#N)c2cccc(Cl)c2)ccc1OC(=O)COc1ccc(Cl)cc1 31902369 RKMNDZSFNGUESA-WQRHYEAKSA-N 454.309 6.051 50 10 JKGE N#C/C(=C/c1ccc(OCc2ccccc2)c(Br)c1)c1nc(-c2ccccc2)no1 33534909 IZLQCYRMECZIIN-MOSHPQCFSA-N 458.315 6.142 50 10 JKGE CCc1ccc(Oc2nc3c(C)cccn3c(=O)c2/C=C(\C#N)c2nc3ccccc3n2C)cc1 35549948 DWIDKLJPACDJNS-CAPFRKAQSA-N 461.525 5.309 50 10 JKGE CCCCOc1cccc(-c2nn(-c3ccccc3)cc2/C=C2/C(=O)N(C(C)C)C(=O)C(C#N)=C2C)c1 38604405 APYPVEUPRLRNQW-YZSQISJMSA-N 494.595 5.719 50 10 JKGE N#CC1=C(N)Oc2cc(OC(=O)c3ccccc3Cl)ccc2[C@H]1c1ccc(Br)cc1 38651579 HBMXXDOVHSHTRN-OAQYLSRUSA-N 481.733 5.540 50 10 JKGE CCCCCOc1ccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4ccco4)ccc32)cc1OCC 38684321 QDYWAEFUYZFJDM-SANMLTNESA-N 488.540 5.685 50 10 JKGE Cc1cc2oc(C(=O)Oc3ccc4c(c3)OC(N)=C(C#N)[C@H]4c3cccc(F)c3)c(C)c2cc1C 38700489 GKISXIYYIAGTTB-VWLOTQADSA-N 468.484 5.935 50 10 JKGE COc1ccc(-c2nn(-c3ccccc3)cc2/C=C2/C(=O)N(C3CCCC3)C(=O)C(C#N)=C2C)c(C)c1 40514549 ARXFCKLGGOIZEV-WGOQTCKBSA-N 492.579 5.391 50 10 JKGE CCCCCOc1cccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4cccc(OCC)c4)ccc32)c1 40530083 FBKPXRJYRHRKOC-NDEPHWFRSA-N 498.579 6.092 50 10 JKGE CCc1ccccc1NC(=O)c1oc2c(c1C)/C(=N/NC(=O)Cc1coc3c(C)c(C)ccc13)CCC2 40826640 VLIWYDVSVKTUCU-FEZSWGLMSA-N 497.595 6.165 50 10 JKGE CCOc1cc(/C=C(\C#N)C(=O)NCc2ccc(OC)cc2)ccc1OCc1ccc(F)cc1 59254880 HAQQXQIVBMMNIC-HYARGMPZSA-N 460.505 5.035 50 10 JKGE Cc1cc(C)c(/C(CSc2nc3ccccc3o2)=N\NC(=O)c2ccccc2Cl)cc1C 59460725 NHBROXNQSGMUBG-SLMZUGIISA-N 463.990 6.333 50 10 JKGE CC[C@@H]1CCc2sc(C(=O)N/N=C(/C)c3ccc(OC)c(CSc4ncccn4)c3)cc2C1 59547159 OLJBBEUJGARQEM-JXPPMIMOSA-N 480.659 5.508 50 10 JKGE Cc1ccc(C)c(OCCCC(C)(C)C(=O)NNC(=O)c2ccc(C)c(Br)c2)c1 66201445 SUDJRPLORQXIMY-UHFFFAOYSA-N 461.400 5.021 50 10 JKGE Fc1cc2c(cc1Br)nc(CCl)n2-c1ccccc1I 97398509 KMZAFCNFCDPENA-UHFFFAOYSA-N 465.491 5.271 50 10 JKGE Fc1ccc(Br)c([C@@H](Br)c2cc(Cl)c(Br)cc2F)c1 97895894 FAIIWZQHBDFNPD-CYBMUJFWSA-N 475.352 6.628 50 10 JKGE Cc1c(C(=O)NNC(=O)c2cccc(Cl)c2)oc2c1/C(=N\Nc1ccccc1)CC(C)(C)C2 101109082 DLFAXOFSNUAJTK-USHMODERSA-N 464.953 5.105 50 10 JKGE CC1=C(C#N)C(=O)N(Cc2ccco2)C(=O)/C1=C/c1ccc(-c2cccc(Cl)c2Cl)o1 101336768 NRPCBWARJYQLIQ-LICLKQGHSA-N 453.281 5.639 50 10 JKGE CCCOC(=O)c1ccc(N/C=C(/C#N)c2nc(-c3cc4ccccc4oc3=O)cs2)cc1 102934420 OVQJPVIBPSRBKH-JXAWBTAJSA-N 457.511 5.460 50 10 JKGE O/N=C(\c1ccccc1)c1ccc(N=P(c2ccccc2)(c2ccccc2)c2ccccc2)cc1 102973058 HZQIPVWRUZPTBW-QNEJGDQOSA-N 472.528 6.722 50 10 JKGE ClCc1nc2ccc(Br)cc2n1-c1cc(Br)ccc1Br 115770586 YGPGZGQNAWSFGG-UHFFFAOYSA-N 479.397 6.052 50 10 JKGE Brc1cc([C@H](Br)Cc2ccc3ccccc3c2)c(Br)s1 232479826 NWXNPDMFVUGJAQ-CQSZACIVSA-N 475.043 7.105 50 10 JKGE CC(C)Oc1ccc([C@H](Cl)c2cc(Br)ccc2I)cc1 232692365 MECFSBKPDOLDTC-INIZCTEOSA-N 465.556 6.169 50 10 JKGE COc1cc(F)c(Br)cc1[C@H](Cl)c1ccc(F)cc1I 234924275 GMVBDYWHEUFLMA-CQSZACIVSA-N 473.482 5.669 50 10 JKGE O=C(NN=Cc1ccc(N2N=C(/C=C\c3ccccc3)C[C@@H]2c2ccccc2)cc1)c1ccncc1 254420783 WLZZNVJPWDXDQS-BUDIHVQCSA-N 471.564 5.866 50 10 JKGE Cc1cc(C(=O)NN=Cc2sc(N3CCCCC3)nc2-c2cccs2)c(C)n1-c1ccccc1 254821518 RXJZUHZFWLORGZ-UHFFFAOYSA-N 489.670 6.033 50 10 JKGE CC(C)(C)CCCC(CBr)(CBr)c1ccccc1Br 302282728 JQDFIRDGPIARAS-UHFFFAOYSA-N 455.072 6.693 50 10 JKGE C[C@]1(CI)CC[C@H](c2cc(Br)c(Br)s2)O1 306544528 YMDQUBFUUMCSJC-GMSGAONNSA-N 465.976 5.318 50 10 JKGE COc1ccc(Br)cc1[C@H](Cl)c1cc(Br)c(C)cc1Br 312286260 SWXJDVZLMBVHBZ-OAHLLOKOSA-N 483.425 6.619 50 10 JKGE C[C@H](Cl)c1nc2cc(I)c(F)cc2n1C[C@@H]1CCN(Cc2ccccc2)C1 380195782 FGARGDFGHCNMPF-GOEBONIOSA-N 497.783 5.602 50 10 JKGE Br[C@H](c1cc2c(s1)CCC2)c1cc(I)cc2c1OCC2 383200651 FBIBCFVCPMSUCJ-HNNXBMFYSA-N 461.162 5.261 50 10 JKGE Brc1cscc1[C@H](Br)c1cc(Br)c(Br)s1 404841050 NGTCVYQKIJCEPR-QMMMGPOBSA-N 495.881 6.581 50 10 JKGE CC(C)(C)[Si](C)(C)OCCN1CCC[C@H](c2ccc(CO[Si](C)(C)C(C)(C)C)cc2)C1 616618189 QYMRRJYJLWZUPR-DEOSSOPVSA-N 463.855 7.410 50 10 JKGE Cc1c(Cl)ccc2nc(CCCl)n(CC3(N(Cc4ccccc4)Cc4ccccc4)COC3)c12 705598411 BXIVVYVCYHVUOB-UHFFFAOYSA-N 494.466 6.251 50 10 JKGE COc1ccccc1C[C@@H](Br)c1ccc(I)c(Br)c1 721571755 JIILGMPDMBMTBY-GFCCVEGCSA-N 495.980 5.741 50 10 JKGE CCOc1ccc([C@@H](O)CCC(=O)NN=Cc2ccc(-c3ccc(Cl)cc3Cl)o2)cc1 725388453 XCKAFQOYSWMLAB-NRFANRHFSA-N 461.345 5.616 50 10 JKGE COc1cc(/C=C\C(=O)Oc2ccc([N+](=O)[O-])cc2)cc(Br)c1OCc1ccc(C)cc1 1082441636 XAJSRWWSBABISF-GHXNOFRVSA-N 498.329 5.872 50 10 JKGE CCCCc1ccc(-n2c(C)cc(/C=C(\C#N)C(=O)N3CCN(c4ccccc4)CC3)c2C)cc1 1084038077 DGZGTIOMHOFVEG-SZXQPVLSSA-N 466.629 5.693 50 10 JKGE Cc1ccc(S(=O)(=O)Oc2ccc(C=NNC(=O)[C@@H](C)c3ccc(CC(C)C)cc3)cc2)cc1 1084220997 ZTUOMNANCXOIKG-NRFANRHFSA-N 478.614 5.215 50 10 JKGE CCc1ccc(NC(=O)c2oc3c(c2C)C(=NNC(=O)c2ccc4ccccc4n2)CCC3)cc1 1772751319 NNMVZTPSCVHXKY-UHFFFAOYSA-N 466.541 5.421 50 10 JKGE Cc1ccc2c(CC(=O)NN=C3CCCc4oc(C(=O)Oc5ccc(F)cc5)c(C)c43)coc2c1C 1772751397 AYQJIDMOAYRUAE-UHFFFAOYSA-N 488.515 5.709 50 10 JKGE CC(C)(O[Si](C)(C)C(C)(C)C)c1nc(Br)n(COCC[Si](C)(C)C)n1 1775955427 SBNOLJUOGYYIEB-UHFFFAOYSA-N 450.570 5.610 50 10 JKGE COc1ccc(CCC(=O)NCc2ccc(OC(=O)Nc3ccc(SC#N)cc3)cc2)cc1OC 1858903381 KRLYRNALZMTGQZ-UHFFFAOYSA-N 491.569 5.137 50 10 JKGE COC(=O)c1nc(NC(=O)CCCC[C@H]2CCSS2)sc1CCc1ccccc1 1860192721 JIRFYBXFHNSWOT-INIZCTEOSA-N 450.651 5.368 50 10 JKGE COc1cc([C@@H]2C(C#N)=C(N)Oc3c2c(C)nn3Cc2cccc(F)c2)ccc1OCc1ccccc1 1865687252 NBOJDSMCPBYFBX-HHHXNRCGSA-N 496.542 5.185 50 10 JKGE CCN(Cc1ccccc1)c1ccc([C@@H]2C(C#N)=C(N)Oc3c2c(C(F)(F)F)nn3CC(C)C)cc1 1865707336 UUKZJEWZXMDSCT-JOCHJYFZSA-N 495.549 5.803 50 10 JKGE COc1ccc(-c2nn(-c3ccc(Cl)cc3)c3c2[C@@H](c2ccccc2O)C(C#N)=C(N)O3)cc1 1865708023 LXJCHIPWTXYCEI-QFIPXVFZSA-N 470.916 5.125 50 10 JKGE CCCC[C@@H](NC(=O)c1cccc(N(CCC)CCC)n1)C(=O)Nc1ccc(SC#N)cc1 1866601844 AGRLPKRAORDYIY-JOCHJYFZSA-N 467.639 5.208 50 10 JKGE C[C@@H](c1ccccc1)N1C[C@H](/C(O)=C(\C#N)c2nc(-c3cccc4ccccc34)cs2)CC1=O 1872752343 XZSCXKQZKDSDLG-BXYWVPDASA-N 465.578 6.366 50 10 JKGE CC(C)(C)N1C(=O)c2ccc(/C(O)=C(\C#N)c3nc(-c4cccc5ccccc45)cs3)cc2C1=O 1872752471 DNYAUTFTHLJHRO-GYHWCHFESA-N 479.561 6.308 50 10 JKGE COc1cc(/C=C/C(O)=C(\C#N)c2nc(-c3ccc(OC)c(C)c3C)cs2)ccc1OC(C)=O 1872753817 OFZPECSIOSCTSA-TZEZGEGSSA-N 476.554 5.876 50 10 JKGE N#C/C(=C(/O)c1cccc(Br)c1)c1nc(-c2ccc(Oc3ccccc3)cc2)cs1 1872753909 UGUDFMMMRZUQFJ-LNVKXUELSA-N 475.367 7.315 50 10 JKGE Cc1ccc(C(C)(C)C)cc1-c1csc(/C(C#N)=C(\O)c2cc([N+](=O)[O-])cc([N+](=O)[O-])c2)n1 1872755957 NQAXSCOEEJUYBN-VZCXRCSSSA-N 464.503 6.182 50 10 JKGE COc1cc(Cl)c(C)cc1-c1csc(/C(C#N)=C(O)/C=C/c2ccc(Cl)c(Cl)c2)n1 1872757250 WYABYZITRXEKHG-YKPCHOFWSA-N 477.800 7.593 50 10 JKGE COc1ccc(OC)c(-c2csc(/C(C#N)=C/c3ccc(OCc4ccc(C)cc4)cc3)n2)c1 1872791280 CBTVKTDBIONRKL-HYARGMPZSA-N 468.578 6.779 50 10 JKGE CC(C)[C@@H](CBr)N(Cc1ccccc1)S(=O)(=O)c1ccc(Cl)c(F)c1Cl 1915300690 PNZDIQDLPBUWEU-OAHLLOKOSA-N 483.230 5.743 50 10 JKGE Cc1cc([C@H](Br)c2cc(Br)c3c(c2)C[C@H](C)O3)oc1Br 1917618850 ZFJISVOCLSEQGJ-ISVAXAHUSA-N 464.979 5.921 50 10 JKGE Clc1c(Br)sc(Br)c1[C@@H](Br)CC[C@H]1CCCCO1 1923039724 QIWQPHVFWNGEHS-SFYZADRCSA-N 481.475 6.712 50 10 JKGE CCCCCCCCC[C@H](Cl)c1c(Br)sc(Br)c1Br 1924600928 UOOCYIDXWZQAGY-JTQLQIEISA-N 495.546 8.456 50 10 JKGE C[C@@H]1CO[C@@H]([C@H](Cl)c2c(Br)sc(Br)c2Br)C1 1924612341 AUHMIMPCBJKGHT-UUEMRFSQSA-N 453.421 5.741 50 10 JKGE O=S1(=O)CCC([C@@H](Br)c2c(Cl)sc(Br)c2Cl)CC1 1925545376 DWQVPZIQPXVFPR-SSDOTTSWSA-N 457.036 5.078 50 10 JKGE Cl[C@@H](c1c(Br)sc(Br)c1Br)[C@@H]1[C@H]2[C@H]3C[C@@H]1C[C@H]32 2016551800 HSJFDZLTBDVFQB-DVMWPAIYSA-N 461.444 6.218 50 10 JKGE COc1sc([C@H](Br)c2ccc(Cl)c(Br)c2)cc1Br 2034629601 OORPEPYQRKNNAO-LLVKDONJSA-N 475.427 6.419 50 10 JKGE N#CC(=Cc1ccc(Br)cc1)c1nc(-c2ccc3sc4ccccc4c3c2)cs1 2042453567 QJPONZVZUWQEMQ-UHFFFAOYSA-N 473.420 8.005 50 10 JKGE Fc1ccc(I)cc1[C@H](Br)Cc1c(F)cccc1Cl 2113352617 CQHYZYOKUNEWSU-LLVKDONJSA-N 457.483 5.902 50 10 JKGE CCC[C@@H]1CC[C@@H](Br)[C@H](Cc2cc(Br)ccc2Br)C1 2118525816 YDOHNHUSFKMZJI-TYNCELHUSA-N 453.056 6.734 50 10 JKGE O=S(=O)(c1ccc(CBr)c(Cl)c1)N(CCC(F)(F)F)Cc1ccccc1 2123203124 DLBPBWPTERQMSG-UHFFFAOYSA-N 470.738 5.378 50 10 JKGE COc1cc(F)c([C@H](Br)c2ccc(OCc3ccccc3)cc2)cc1Br 2138160761 NKXMJUYYADGIRQ-OAQYLSRUSA-N 480.171 6.660 50 10 JKGE Cc1c(Br)ccc([C@H](Cl)Cc2cccc(Br)c2)c1Br 2138859744 CGUGLMZXQYAQNF-CQSZACIVSA-N 467.426 6.805 50 10 JKGE Cc1cc(Cl)c([C@H](Br)c2ccc(I)c(C)c2)cc1Cl 2142103004 DJHNZYBXKGUODN-OAHLLOKOSA-N 469.975 6.699 50 10 JKGE Clc1cc(C[C@@]2(CBr)CCCC23CCC3)ccc1I 2142939152 DXIVCWVGOSKGND-MRXNPFEDSA-N 453.589 6.223 50 10 JKGE ClCc1cc(Br)ccc1OCc1ccc(I)c(Cl)c1 2142945922 HMJBMMGKTFHGQJ-UHFFFAOYSA-N 471.947 6.025 50 10 JKGE CCC(C)(C)c1ccc([C@@H](Br)c2csc(Br)c2Br)cc1 2150342555 XDRUHGKYEJDADA-CYBMUJFWSA-N 481.091 7.445 50 10 JKGE CC1(Cn2c(CCl)nc3cc(I)ccc32)CCN(Cc2ccccc2)CC1 2156022370 NOWSSEGHMLXWAE-UHFFFAOYSA-N 493.820 5.682 50 10 JKGE Clc1cccc(C(CBr)(CBr)Cc2snc(Cl)c2Cl)c1 2167230791 GAJSBIMGTUCMLI-UHFFFAOYSA-N 478.464 6.374 50 10 JKGE F[C@@]12CCC[C@@]1(CBr)CN(Cc1c(Br)cccc1Br)C2 2176634805 FRMYZOAMWRNKMW-HUUCEWRRSA-N 470.018 5.301 50 10 JKGE ClCc1ccc(Br)c(Cl)c1OCc1cc(Cl)ccc1Br 2200741043 KUBTVZPKQPIUCN-UHFFFAOYSA-N 459.392 6.836 50 10 JKGE Cc1cc(Br)c(C)c([C@@H](Br)C[C@@H](C)CC(C)(C)C)c1Br 2201070613 NURJFLSGQJXLAV-YGRLFVJLSA-N 469.099 7.727 50 10 JKGE COC[C@@H]1CC[C@H]([C@H](Br)c2c(C)c(Br)cc(C)c2Br)C1 2201076592 FXWBEYXNOFKUGW-WQGACYEGSA-N 469.055 6.327 50 10 JKGE COc1cc2c(cc1Br)nc([C@H](C)Cl)n2C[C@@H](C)COCc1ccccc1 2202312269 RDNALZZTYHJTPX-CABCVRRESA-N 451.792 5.960 50 10 JKGE Cc1cc(Br)c([C@H](Br)C2(C)CC(F)(F)C2)c(C)c1Br 2227359846 MOZPOSLWDLBNLR-LBPRGKRZSA-N 460.982 6.700 50 10 JKGE Clc1cc(Br)c([C@@H](Br)[C@@H]2CC23CCCCC3)c(Cl)c1Cl 2232529872 ZFEXGSPLNJUKGL-UFBFGSQYSA-N 461.452 7.816 50 10 JKGE CCOCc1cc(Br)c([C@H](Cl)c2cccc(F)c2I)s1 2233013061 GBHPRFTXXJSSBI-GFCCVEGCSA-N 489.575 6.119 50 10 JKGE Cc1ccc(Br)c([C@@H](Br)c2c(F)cc(F)c(Br)c2F)c1 2236109993 LGBIPWPJHDQENU-GFCCVEGCSA-N 472.924 6.422 50 10 JKGE Cc1cc(Br)c([C@@H](Br)c2sccc2Br)c(C)c1F 2253515556 DSJJDZAZCHHZRI-LLVKDONJSA-N 457.000 6.513 50 10 JKGE Cc1cc(Br)c([C@H](Br)c2cn(C)c(Br)n2)c(C)c1F 2264476360 NWKOQOHWTBTOSG-LLVKDONJSA-N 454.963 5.185 50 10 JKGE Cc1c(Br)sc([C@@H](Br)C[C@H]2CCCCC23CC3)c1Br 2264950921 ZYTCVBIYQOVAIS-MNOVXSKESA-N 471.096 7.378 50 10 JKGE COc1ccc([C@H](Cl)c2c(Cl)cccc2Br)cc1I 2269552829 NEQYDGPJKQQRCP-AWEZNQCLSA-N 471.947 6.044 50 10 JKGE Cc1ccc(Cl)cc1[C@@H](Br)Cc1cc(Br)cc(Br)c1 2277957239 WVUBGFMUFCXNTD-HNNXBMFYSA-N 467.426 6.852 50 10 JKGE C[C@@H]1O[C@H](C)[C@H]([C@H](Br)Cc2cc(Br)cc(Br)c2)[C@@H]1C 2277961644 WRERENKEBIGMIF-OQMGSFEQSA-N 455.028 5.577 50 10 JKGE Cn1nc([C@H](Br)c2cc3sc(Br)cc3s2)c(Cl)c1Cl 2278113734 YZTSUYMFBBDQDU-MRVPVSSYSA-N 461.031 6.250 50 10 JKGE Fc1cc(Br)c(F)c(Br)c1[C@@H](Cl)c1ccc(Cl)cc1Cl 2288350492 AAHFBIDBMWNZPX-LBPRGKRZSA-N 465.346 7.125 50 10 JKGE Fc1cc(Br)c(F)c(Br)c1[C@@H](Br)CC(F)(F)C(F)(F)F 2288354012 AGHHKWYMDXYFGO-BYPYZUCNSA-N 496.840 6.514 50 10 JKGE COc1cc(C=C(C#N)C(=O)Nc2cccc(Cl)c2)c(Br)cc1OCc1ccccc1 2293547245 VOTUWKYFXXLWEJ-UHFFFAOYSA-N 497.776 6.236 50 10 JKGE FC(F)(F)C([C@@H](Br)c1cc2sc(Br)cc2s1)C(F)(F)F 2295402877 QTVVMLRVFJHUFR-ZETCQYMHSA-N 462.072 6.902 50 10 JKGE Cc1ccc(C(=O)Oc2ccc(C=C(C#N)C(=O)Nc3cc(Cl)cc(Cl)c3)cc2)cc1 2295459736 SVBZAKGCOCNOSW-UHFFFAOYSA-N 451.309 6.067 50 10 JKGE CCOc1ccc(NC(=O)C(C#N)=Cc2c(Oc3cc(C)cc(C)c3)nc3ccccn3c2=O)cc1 2296542785 QOZFAUFKEYBWAA-UHFFFAOYSA-N 480.524 5.048 50 10 JKGE CCCCOc1cccc(-c2nn(-c3ccccc3)cc2C=C(C#N)c2nc3ccccc3[nH]2)c1 2296545970 DMEYWMYAWSEGTD-UHFFFAOYSA-N 459.553 6.659 50 10 JKGE N#CC(=Cc1ccc(-c2ccc(Br)cc2)o1)C(=O)Nc1ccccc1Br 2297449838 SVNQPPNWKVXDRV-UHFFFAOYSA-N 472.136 6.017 50 10 JKGE Cc1ccc(C)c(OCCn2cc(C=C(C#N)C(=O)Nc3ccc(Cl)cc3)c3ccccc32)c1 2297551810 FMJXWKNYOAIREC-UHFFFAOYSA-N 469.972 6.536 50 10 JKGE CC(C)(C1CCC1)[C@H](Br)c1ccc(OCc2ccccc2)cc1Br 2299501076 KXJVROUMNJYROF-HXUWFJFHSA-N 452.230 7.290 50 10 JKGE CC(C)(C[C@@H](Br)c1ccc(OCc2ccccc2)cc1Br)C1CC1 2299503955 JTSQPZMHQNGXME-HXUWFJFHSA-N 452.230 7.290 50 10 JKGE Brc1cc(OCc2ccccc2)ccc1[C@H](Br)CC[C@@H]1CCCO1 2299530215 KAIYCOIUAZFESH-QFBILLFUSA-N 454.202 6.423 50 10 JKGE BrCCCCCCCSc1cc(I)ccc1Br 2300791511 AHYCAQKBQAOYCJ-UHFFFAOYSA-N 492.058 6.491 50 10 JKGE Cc1ccc(NC(=O)C(C#N)=Cc2ccc(-c3ccc(Br)c(C)c3)o2)cc1Cl 2313549089 MVSGKEJHBMOLJU-UHFFFAOYSA-N 455.739 6.525 50 10 JKGE Cc1cccc(NC(=O)C(C#N)=Cc2cc(Br)c(Sc3ccc(Cl)cc3)o2)c1 2313562306 LSQJLYBLPWBGNF-UHFFFAOYSA-N 473.779 6.701 50 10 JKGE CCCCCCN1C(=O)C(=Cc2ccc(-c3cccc(Cl)c3Cl)o2)C(C)=C(C#N)C1=O 2314610875 NPMMTEMVOXIOQG-UHFFFAOYSA-N 457.357 6.426 50 10 JKGE COc1cc(C=C2C(=O)N(CC(C)C)C(=O)C(C#N)=C2C)ccc1OCc1ccccc1Cl 2314611120 RANLTWVTDOESIM-UHFFFAOYSA-N 464.949 5.176 50 10 JKGE CCOc1cc(C=C2C(=O)N([C@H](C)CC)C(=O)C(C#N)=C2C)ccc1OCc1ccc(C)cc1 2314611737 ZMIFXCAOTUPYSE-LJQANCHMSA-N 458.558 5.364 50 10 JKGE N#CC1=C(N)Oc2cc(OC(=O)C=Cc3ccccc3Cl)ccc2[C@@H]1c1ccc(Cl)cc1Cl 2314634159 UOPXTUXCRLNCLH-DEOSSOPVSA-N 497.765 6.484 50 10 JKGE COCc1ccc([C@H](Br)c2ccc(Cl)c(I)c2)s1 2315094015 YAYUPWIUHBJQCZ-CYBMUJFWSA-N 457.558 5.637 50 10 JKGE Brc1cc([C@H](Br)[C@H]2COC3(CCC3)CO2)c(Br)s1 2316791176 MDIBYFIAZPWELW-SCZZXKLOSA-N 461.013 5.047 50 10 JKGE CC(C)c1cccc([C@H](Br)c2cc(Br)sc2Br)c1 2320572947 GXDAEXHFRDOVMN-ZDUSSCGKSA-N 453.037 6.881 50 10 JKGE CSc1ccccc1C(=O)NN=Cc1cn(CCOc2ccc(Cl)cc2)c2ccccc12 2321222585 XCKYSVKRRSFWGA-UHFFFAOYSA-N 463.990 5.860 50 10 JKGE N#CC(=CNc1ccccc1Sc1ccccc1)C(=O)N1CCN(c2ccc(F)cc2)CC1 2325272734 PNLMMHSPQCYRJB-UHFFFAOYSA-N 458.562 5.145 50 10 JKGE Cc1cc(Cl)c([C@@H](Br)c2sc(Cl)cc2I)c(Cl)c1 2327895879 IMZQPTSLSKUOOX-LLVKDONJSA-N 496.422 7.106 50 10 JKGE CCCCCCCCCOc1ccc(C=NNC(=O)[C@@H](NC(=O)OC(C)(C)C)C(C)C)cc1OC 2328833338 XPOYTFVDZNCSPB-DEOSSOPVSA-N 491.673 5.824 50 10 JKGE CC(C)C[C@H](C(O)=C(C#N)c1nc(-c2ccccc2Cl)cs1)N1C(=O)c2ccccc2C1=O 2331265890 MDUQNMAOVHGUAP-OAQYLSRUSA-N 477.973 5.967 50 10 JKGE N#CC(=C(O)C=Cc1ccc(Cl)c(Cl)c1)c1nc(-c2ccc(Cl)c(Cl)c2)cs1 2331311769 WIMCTEFVUPXMHX-UHFFFAOYSA-N 468.192 7.930 50 10 JKGE N#CC(=C(O)CCCOc1ccc(Cl)cc1Br)c1nc(-c2ccc(F)cc2)cs1 2331344055 MPPNVQONSRCWNG-UHFFFAOYSA-N 493.785 7.017 50 10 JKGE COc1ccc(OCC(O)=C(C#N)c2nc(-c3c[nH]c4ccccc34)cs2)c(C(C)(C)C)c1 2331346666 CDYRRFTZPRVWPO-UHFFFAOYSA-N 459.571 6.469 50 10 JKGE CCCCOc1ccc(C=C(C#N)c2nc(-c3cc(OC)c(Cl)cc3OC)cs2)cc1 2331471029 GODBNUHOFTYWJS-UHFFFAOYSA-N 454.979 6.724 50 10 JKGE Brc1cc(OCc2ccccc2)ccc1[C@H](Br)c1cc2ncccc2s1 2336038730 QEQPZVZIWITNQB-NRFANRHFSA-N 489.232 7.122 50 10 JKGE Brc1ccc(OCc2ccccc2)c([C@H](Br)[C@@H]2OC[C@@H]3CCCC[C@@H]32)c1 2336045593 XPYWRQOLBOLGQE-KCOOCBJMSA-N 480.240 6.669 50 10 JKGE FC1(F)CC2(CC([C@@H](Br)c3cc(Br)ccc3OCc3ccccc3)C2)C1 2336054227 QDFWHGCVACLGAB-LJQANCHMSA-N 486.194 7.290 50 10 JKGE Fc1cc(F)c([C@@H](Br)c2cc(Br)ccc2OCc2ccccc2)cc1F 2336121911 SFULDNHUFUJLHK-HXUWFJFHSA-N 486.125 6.930 50 10 JKGE Fc1c(Br)cc(Cl)c([C@@H](Br)[C@H]2C(F)(F)C23CC3)c1Br 2337083680 COUSNKMHIYZCRM-PSASIEDQSA-N 483.347 6.485 50 10 JKGE Fc1c(Br)cc(Cl)c([C@H](Br)C23CCC(CC2)C3)c1Br 2337102038 BAVLFVDEYUINQP-OFBKNLNESA-N 475.421 7.020 50 10 JKGE Cl[C@H](c1c(Br)sc(Br)c1Br)[C@H]1COC2(CCC2)CO1 2338782460 FYRUJSFGIFEMPH-MUWHJKNJSA-N 495.458 5.654 50 10 JKGE Cc1cc(Br)c(F)c(Br)c1[C@H](Br)c1ccccc1Cl 2339647657 CQUJKZWQNPDPEE-GFCCVEGCSA-N 471.389 6.797 50 10 JKGE COc1c(Br)cc(C)c([C@@H](Br)[C@H](C)C2CCC2)c1Br 2339654585 TZAWPOBDJCRJJR-RNCFNFMXSA-N 455.028 6.401 50 10 JKGE Cc1cc(Br)c(F)c(Br)c1[C@H](Br)[C@H]1C[C@]12CC2(F)F 2339687654 YEMSKHVNNAHFLN-JSTDYGSISA-N 462.929 6.140 50 10 JKGE CCC[C@@H](OC1(CI)CCN(C(=O)OC(C)(C)C)CC1)c1ccccc1 2340462113 AWAFIGMYXVOWMJ-GOSISDBHSA-N 473.395 5.749 50 10 JKGE Cc1ccc(CBr)c(OCc2cc(I)ccc2Cl)c1 2352349868 GDLQERZWNLRMTD-UHFFFAOYSA-N 451.529 5.727 50 10 JKGE Fc1c(Br)cc(Cl)c([C@H](Cl)[C@H]2CC[C@H]2C(F)(F)F)c1Br 2362237565 SHXYNWLMKOFGMV-LBACSGLVSA-N 458.902 6.873 50 10 JKGE Fc1c(Br)cc(Cl)c([C@H](Br)[C@H]2C[C@@]23CCCOC3)c1Br 2362249330 XHSAOGQUBKOGDG-OVAUKMOZSA-N 491.420 6.257 50 10 JKGE CC12C[C@@H]3C[C@H](C1)CC([C@@H](Br)c1sc(Cl)cc1I)(C3)C2 2364121805 JLMKDVOJZDAENI-LEDWSICFSA-N 485.656 7.049 50 10 JKGE CCc1cc([C@H](Br)Cc2ccc(OC)cc2Br)sc1Br 2364264114 TZXCFWKMDPLBAA-CYBMUJFWSA-N 483.063 6.523 50 10 JKGE Cc1cc(Br)ccc1[C@H](Cl)c1c(C)cc(Br)c(F)c1Br 2365223942 SIXRZLCQRQLNJC-AWEZNQCLSA-N 485.416 7.058 50 10 JKGE Cc1cc(F)c(CCl)c(OCc2cc(I)ccc2Br)c1 2367519469 IPEAXVVQXUJYKA-UHFFFAOYSA-N 469.519 5.819 50 10 JKGE Cl[C@@H]1c2ccccc2CC[C@@H]1Cc1ccc(I)c(Br)c1 2377258815 XRRWIHITWHEMSF-DYVFJYSZSA-N 461.568 6.139 50 10 JKGE CC[C@@]1(C)Cc2ccccc2C(=O)[C@]12SS[C@@]1(S2)C(=O)c2ccccc2C[C@@]1(C)CC 8430765 RUWJPVKEUGOGNU-QYOOZWMWSA-N 468.709 7.218 50 10 JKGE Cc1ccc(N2CSC3=C(C#N)[C@@H](c4cccc(OCc5ccccc5)c4)CC(=O)N3C2)cc1C 12251006 GQORMVGEPMHZBD-AREMUKBSSA-N 481.621 6.102 50 10 JKGE CCCCOc1ccc(Br)cc1C(=O)NNC(=O)COc1ccccc1-c1ccccc1 14649717 SNASAUSQGXEMPI-UHFFFAOYSA-N 497.389 5.135 50 10 JKGE COc1cc(/C=C(/C#N)c2nn(-c3ccccc3)c(N)c2C#N)ccc1OCc1ccc(C)cc1 33400580 XFSBQPAWIXXTSP-HMAPJEAMSA-N 461.525 5.286 50 10 JKGE CCCOc1ccc(/C=C(/C#N)C(=O)Nc2sc3c(c2C(=O)OCC)[C@@H](C)CCC3)cc1 33491431 JEHJAZAGSZTGHK-IYWFSZBXSA-N 452.576 5.699 50 10 JKGE CC(C)c1ccc(O[C@@H](C)C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@H]3c2ccc([N+](=O)[O-])cc2)cc1 38654999 SGIJFKGBZSYBHT-QLXKLKPCSA-N 499.523 5.309 50 10 JKGE N#CC1=C(N)Oc2cc(OC(=O)c3ccco3)ccc2[C@H]1c1ccc(OCc2ccc(F)cc2)cc1 38686479 XOOKUZJFCGCKBN-AREMUKBSSA-N 482.467 5.435 50 10 JKGE COc1cccc(C(=O)N/N=C2\CCCc3oc(C(=O)Nc4cc(Cl)ccc4C)c(C)c32)c1 40822254 JXFAYFLUYODIJB-TURZUDJPSA-N 465.937 5.281 50 10 JKGE COc1ccccc1/C=C(\C#N)C(=O)N(c1cc(C)ccc1C)S(=O)(=O)c1ccc(Cl)cc1 40977774 AZDHINYZTGLUFP-HMMYKYKNSA-N 480.973 5.295 50 10 JKGE CC1=CC(/C=N\NC(=O)CC[C@@H](O)c2ccccc2)=C(C)[C@H]1c1ccc(OCc2ccccc2)cc1 58890592 IRNRIQQPEMIKLQ-KXVTXOPISA-N 480.608 6.241 50 10 JKGE Cc1cc(C)c2[nH]c(-c3ccccc3)c(/C=C(\C#N)C(=O)Nc3ccc(Br)cc3)c2c1 59513107 ZVYXXHCYJZFUIO-XMHGGMMESA-N 470.370 6.760 50 10 JKGE Cc1ccccc1NC(=O)/C(C#N)=C1/S[C@H](Cc2ccccc2)C(=O)N1c1ccccc1C 102667095 ZSKZEYKQULAVGD-RDKICWGTSA-N 453.567 5.368 50 10 JKGE COc1cc(Cl)c([C@H](Br)c2ccc(I)cc2)cc1OC 109866651 UGMUYXJRRGHRCX-OAHLLOKOSA-N 467.528 5.446 50 10 JKGE FC(F)(F)c1ccc(C[C@H](Br)c2ccccc2I)cc1 110302520 DFDUWQDMFIUBKW-ZDUSSCGKSA-N 455.055 5.989 50 10 JKGE COc1c(C)cc(Br)c(C)c1[C@@H](Br)c1cc(Br)ccc1F 125719741 QTJSBUACAVHIMK-HNNXBMFYSA-N 480.997 6.460 50 10 JKGE COc1cc([C@@H](Br)c2cc(Cl)c(Br)s2)cc(OC)c1OC 128146303 ZRVHAWMNIMPBEY-GFCCVEGCSA-N 456.583 5.674 50 10 JKGE Cc1c(C)c(C)c([C@@H](Br)c2cc(Br)ccc2Br)c(C)c1C 161080567 QFSNSEPHLHKAKP-SFHVURJKSA-N 475.062 7.238 50 10 JKGE O=[N+]([O-])c1ccc(C[C@H](Br)c2cc(Br)ccc2Br)cc1 161183346 NNXYEPPMWAGKDR-AWEZNQCLSA-N 463.951 5.799 50 10 JKGE Fc1cc([C@@H](Br)c2csc3c(Br)cccc23)ccc1Br 163520384 DGKYWDBQAHKTEO-CQSZACIVSA-N 479.006 7.050 50 10 JKGE CC1(C)CC[C@H](COc2c(Br)cc(CBr)cc2Br)O1 232786396 UQNIKRZVAGSWNL-SNVBAGLBSA-N 457.000 5.443 50 10 JKGE COc1ccc(Br)cc1[C@@H](Cl)c1cc(Cl)ccc1I 234844610 MJBCZNYYCRUKAR-AWEZNQCLSA-N 471.947 6.044 50 10 JKGE COc1cc(F)c(Br)cc1[C@@H](Br)c1c(F)cccc1Br 234861881 DAXFFLDZIKQLSQ-CQSZACIVSA-N 470.933 5.983 50 10 JKGE C[C@@H]1[C@@H](NC(=O)[C@H](c2ccc(F)cc2)N(CCC2=CCCCC2)C(=O)CCl)CCC[C@H]1C 252586639 RNGNMFXNBXJGQH-ICSRYVJKSA-N 463.037 5.766 50 10 JKGE COc1cccc(C=NNC(=O)CSc2nc3ccccc3s2)c1OCc1cccc(Cl)c1 252640964 YYOFYYUVOANIJD-UHFFFAOYSA-N 498.029 5.780 50 10 JKGE CCCCCCCCCC(=O)NN=Cc1c(OC(=O)c2cccc(C)c2)ccc2ccccc12 254517356 GHYHAPUWTSEWAJ-UHFFFAOYSA-N 458.602 6.958 50 10 JKGE CCn1c(SCC(=O)NN=Cc2ccc(C(C)(C)C)cc2)nnc1-c1ccc(C(C)(C)C)cc1 254627570 RHPBYGBBSRTVTC-UHFFFAOYSA-N 477.678 5.802 50 10 JKGE Cc1ccc(-n2c(SCC(=O)NN=C/C=C/c3ccccc3[N+](=O)[O-])nnc2-c2ccccc2)cc1 254634523 VSVIUQPWIOFILO-GOTFWZBWSA-N 498.568 5.058 50 10 JKGE COc1cc(C(=O)NN=Cc2ccc(N(c3ccccc3)c3ccccc3)cc2)cc(OC)c1OC 254795997 VZFJRXDUABOMKN-UHFFFAOYSA-N 481.552 5.946 50 10 JKGE O=C(NN=Cc1c(F)c(F)c(F)c(F)c1F)c1ccc(CSc2nc3ccccc3[nH]2)cc1 254845440 CTIVJHIYVCMVTB-UHFFFAOYSA-N 476.430 5.315 50 10 JKGE BrCc1ccc(Br)cc1N1CCC2(CCN(Cc3ccccc3)CC2)C1 311544084 HOPNBHGGDNNGKW-UHFFFAOYSA-N 478.272 5.837 50 10 JKGE Cl[C@@H](Cc1ccc(Br)cc1)c1cc(I)cc2c1OCC2 312396034 UHWBKZXPJAEHEB-HNNXBMFYSA-N 463.540 5.511 50 10 JKGE C[C@H](Cl)c1nc2cccnc2n1-c1cc(I)ccc1Br 312642806 TWKFBRGNHLRBBK-QMMMGPOBSA-N 462.516 5.087 50 10 JKGE C[C@@H](Cl)c1nc2ccncc2n1-c1ccc(I)c(Br)c1 312965541 JXBYGSAXCGITCN-MRVPVSSYSA-N 462.516 5.087 50 10 JKGE COc1cc(Br)c([C@H](Br)c2coc(Br)c2)cc1OC 378895138 BXSLEZUQFNOBSR-CYBMUJFWSA-N 454.940 5.306 50 10 JKGE Cn1ncc([C@H](Br)Cc2ccc(Cl)c(Cl)c2)c1I 379196573 FZZILMNOYZXBHI-SECBINFHSA-N 459.940 5.010 50 10 JKGE ClCc1nc2c(Cl)cccc2n1-c1ccc(I)cc1Br 380050071 QRBNTNRURDJDKP-UHFFFAOYSA-N 481.946 5.785 50 10 JKGE Cc1cc(Br)ccc1[C@@H]1CN(C(=O)OC(C)(C)C)C[C@H]1CI 382686149 FUDQENSSEUAQPT-IUODEOHRSA-N 480.184 5.143 50 10 JKGE C[C@@H](Cl)c1nc2cc(F)c(F)cc2n1CCCN(Cc1ccccc1)Cc1ccccc1 390480420 LBCWNAGGPBZSDD-LJQANCHMSA-N 453.964 6.707 50 10 JKGE CCn1nc(C)c2nc([C@H](C)Cl)n(CCCN(Cc3ccccc3)Cc3ccccc3)c21 390629645 KSJXCDFSKSGRAC-FQEVSTJZSA-N 450.030 5.953 50 10 JKGE C[C@H](Cl)c1nc2cc(I)ccc2n1[C@H](C)COCc1ccccc1 390667120 UOHVVYVDDNKNRV-KGLIPLIRSA-N 454.739 5.719 50 10 JKGE Brc1cscc1[C@@H](Br)c1cc(Br)c(Br)s1 404841049 NGTCVYQKIJCEPR-MRVPVSSYSA-N 495.881 6.581 50 10 JKGE Brc1cc2c(c([C@H](Br)c3ccc(Br)s3)c1)OCCC2 688372439 VSRRSZTULPYNTI-ZDUSSCGKSA-N 467.020 6.082 50 10 JKGE Clc1cc(Br)c(OCc2sccc2Br)c(CBr)c1 708074297 BPTRLLJSBNDVOM-UHFFFAOYSA-N 475.427 6.400 50 10 JKGE Cc1sc([C@H](Br)c2cccc(Br)c2F)c(C)c1Br 724927717 HEEJUHXTSOFMOP-LLVKDONJSA-N 457.000 6.513 50 10 JKGE O=C(CC[C@@H](O)c1ccccc1)NN=Cc1ccc(OCc2ccccc2F)c(Br)c1 1084109858 NTYAHGNIEBKEHV-JOCHJYFZSA-N 485.353 5.131 50 10 JKGE CCOc1cc(C=NNC(=O)CC#N)c(Br)cc1OCc1ccc(Cl)cc1Cl 1084226174 QORCJMIPRBKQET-UHFFFAOYSA-N 485.165 5.097 50 10 JKGE C=CCc1cc(C=NNC(=O)CC[C@H](O)c2ccc(OCC)cc2)ccc1OCc1cccc(F)c1 1084353146 CGUXWSLVRREJKD-MHZLTWQESA-N 490.575 5.496 50 10 JKGE Cc1ccccc1C(=O)NN=C1CCCc2oc(C(=O)Nc3cccc4ncccc34)c(C)c21 1772743620 GPTKIDDHEUVGOX-UHFFFAOYSA-N 452.514 5.167 50 10 JKGE Cc1ccc(COc2ccc(C=NNC(=O)COc3ccc(Br)c(C)c3)cc2)cc1 1772753967 MRDSYWRMXLMHGU-UHFFFAOYSA-N 467.363 5.174 50 10 JKGE N#CC1=C(N)Oc2c(c(-c3ccccc3)nn2Cc2c(F)cccc2Cl)[C@H]1c1ccc(O)c(O)c1 1865680923 ZZWGPOQPAAEDSU-QFIPXVFZSA-N 488.906 5.020 50 10 JKGE Cc1ccc(Cn2nc(-c3ccccc3)c3c2OC(N)=C(C#N)[C@@H]3c2cc(Cl)ccc2O)cc1 1865689289 OQFGEMVDJRLBIU-QHCPKHFHSA-N 468.944 5.484 50 10 JKGE Cc1ccc(-n2nc(-c3ccccc3)c3c2OC(N)=C(C#N)[C@H]3c2cn(C)c3ccccc23)cc1 1865698747 BSBUHTINSAVAQD-VWLOTQADSA-N 457.537 5.558 50 10 JKGE N#CC1=C(N)Oc2c(c(-c3ccccc3)nn2Cc2c(F)cccc2Cl)[C@@H]1c1ccncc1 1865700631 ZPWPPANKJCTTJL-OAQYLSRUSA-N 457.896 5.004 50 10 JKGE CCn1nc(-c2ccccc2)c2c1OC(N)=C(C#N)[C@H]2c1cccc(OC)c1OCc1cccc(C)c1 1865705308 RNYPDZKOXKCJMD-RUZDIDTESA-N 492.579 5.684 50 10 JKGE CCc1ccc([C@@H]2C(C#N)=C(N)Oc3c2c(-c2ccccc2)nn3Cc2c(F)cccc2Cl)cc1 1865708557 AZDYEXKIBXBIHT-XMMPIXPASA-N 484.962 6.171 50 10 JKGE COc1ccccc1[C@H]1C(C#N)=C(N)Oc2c1c(-c1ccccc1)nn2Cc1cccc(Cl)c1 1865710337 VSVHBYOCSXVQOL-QHCPKHFHSA-N 468.944 5.479 50 10 JKGE N#CC1=C(N)Oc2c(c(-c3ccccc3)nn2Cc2ccc(Cl)cc2)[C@H]1c1ccc([N+](=O)[O-])cc1 1865712839 JJUUSYATMHMBHZ-QFIPXVFZSA-N 483.915 5.378 50 10 JKGE N#CSc1ccc(NC(=O)c2ccc(-c3ccc(Cl)c(Cl)c3)nc2C(F)(F)F)cc1 1865780914 KXCDLLFIZLUTKI-UHFFFAOYSA-N 468.287 6.900 50 10 JKGE COCCOc1ccc(/C=C(\C#N)C(=O)Nc2sc3c(c2C(=O)OC)CC[C@H](C(C)(C)C)C3)cc1 1866215276 LKEDEVKSLQQFDQ-ZSFFSCSXSA-N 496.629 5.257 50 10 JKGE CCCC[C@@H](NC(=O)Cc1csc(COc2ccccc2)n1)C(=O)Nc1ccc(SC#N)cc1 1866591021 NSPFQFLNVSHKFK-JOCHJYFZSA-N 494.642 5.151 50 10 JKGE CCCCCCCCCOc1ccc(/C=C(\C#N)c2nc3cc(C)ccc3n2C)c(Cl)c1 1872728157 QCVKYYHNLLQNHJ-OQKWZONESA-N 450.026 7.729 50 10 JKGE CCOc1cc(/C(O)=C(\C#N)c2nc(-c3ccc(C)cc3C)cs2)cc(OCC)c1OCC 1872749052 ZIKNKTMQHFVOJN-GFMRDNFCSA-N 464.587 6.573 50 10 JKGE CSCC[C@@H](/C(O)=C(\C#N)c1nc(-c2cccs2)cs1)N1C(=O)c2ccccc2C1=O 1872750697 OPDJWPADNPBKDY-STZPCZCHSA-N 467.597 5.082 50 10 JKGE COc1cc(C)c(-c2csc(/C(C#N)=C(\O)COc3cc(Cl)ccc3Cl)n2)cc1C 1872757893 AXUMMMKADYGBBU-MNDPQUGUSA-N 461.370 6.614 50 10 JKGE COc1ccc(-c2csc(/C(C#N)=C(\O)[C@H]3CC(=O)N([C@H](C)c4ccccc4)C3)n2)c2ccccc12 1872758795 QRQCLHSSSLMYIV-VOLQSZBXSA-N 495.604 6.374 50 10 JKGE COc1ccc(-c2csc(/C(C#N)=C/c3ccc(OCc4ccc(Cl)cc4)c(OC)c3)n2)cc1 1872780613 GMQJXCSQWMMMCC-FYJGNVAPSA-N 488.996 7.124 50 10 JKGE CCCCCCOc1ccc(/C=C(\C#N)c2nc(-c3ccc(F)c(F)c3)cs2)cc1OC 1872793329 UVRPLEXOLLAIQH-XDHOZWIPSA-N 454.542 7.120 50 10 JKGE COc1cc(OC)c(-c2csc(/C(C#N)=C/c3ccc(Br)cc3)n2)cc1Cl 1872793618 KGUNHSQKFWPIBC-NTUHNPAUSA-N 461.768 6.307 50 10 JKGE CC(C)[C@@H](CBr)N(Cc1ccccc1)Cc1ccc(Br)cc1Cl 1915256502 ACGVYYLGHCUICA-LJQANCHMSA-N 459.653 6.524 50 10 JKGE O=C(c1ccc(Cl)c(Br)c1)N(Cc1ccccc1)[C@@H](CBr)C1CC1 1915311624 GVRZMWDGMOKQAM-SFHVURJKSA-N 471.620 5.918 50 10 JKGE CC1(C)C[C@H](N(Cc2ccccc2)c2cc(Br)ccc2CBr)CO1 1915487379 STPCTJJQUGCMHS-SFHVURJKSA-N 453.218 5.918 50 10 JKGE CN(Cc1ccc(Br)c(F)c1F)C[C@@H](Br)COCc1ccccc1 1916396137 XKLURFGBNBAPMQ-OAHLLOKOSA-N 463.160 5.139 50 10 JKGE CC1(C)C2CCC1([C@H](Cl)c1c(Br)sc(Br)c1Br)CC2 1924569942 CARWWRBETPRXCK-MAOXSZOYSA-N 491.514 7.532 50 10 JKGE Clc1cccc([C@H](Cl)c2c(Br)sc(Br)c2Br)c1 1924583288 IGILUCLINLFCCE-VIFPVBQESA-N 479.846 7.017 50 10 JKGE Clc1ccc(Br)cc1[C@@H](Cl)c1c(Cl)sc(Br)c1Cl 1925586763 COUSZTHFUVBQFZ-MRVPVSSYSA-N 469.840 7.562 50 10 JKGE C[C@H]1CN(c2cccc(Br)c2CBr)[C@H](C)CN1Cc1ccccc1 1946773172 QYBWEANLRUFNMW-JKSUJKDBSA-N 452.234 5.443 50 10 JKGE Fc1c(CC[C@H](Br)COCc2ccccc2)ccc(Cl)c1Br 1957702284 VHXTXJSFEQYBMT-AWEZNQCLSA-N 450.573 6.155 50 10 JKGE Cc1cc([C@H](Br)c2c(Cl)sc(Br)c2Cl)sc1Cl 2000996738 BJMTUKXBUJSWON-LURJTMIESA-N 455.451 7.325 50 10 JKGE Cl[C@@H](c1cc(I)sn1)c1cc(C2CC2)c(Br)s1 2007647140 GNHDNPXADIFKJW-JTQLQIEISA-N 460.587 5.777 50 10 JKGE Brc1cc([C@H](Br)c2ncn3ccsc23)c(Br)s1 2024755593 KBVYZYQHPVLCOJ-ZETCQYMHSA-N 457.010 5.467 50 10 JKGE C[C@]1([C@@H](Cl)c2c(Br)sc(Br)c2Br)C[C@H]1C(F)(F)F 2039188672 UAJMQVJBUMGHBT-PHTXQJRJSA-N 491.392 6.904 50 10 JKGE CC(C)(C)OC(=O)NCCCN(CC1(CBr)CC1)c1cccc(Br)c1 2044701268 HEBPPNDPFDRBHL-UHFFFAOYSA-N 476.253 5.345 50 10 JKGE CC1(C)CC12CC([C@@H](Cl)c1c(Br)sc(Br)c1Br)C2 2063994324 RDIGJODOCPAWBE-RIUAISMDSA-N 477.487 7.142 50 10 JKGE Fc1cc([C@H](Br)c2ccc(Br)cc2Br)ccc1Cl 2083336616 BQOFYQXLWBGQGK-ZDUSSCGKSA-N 457.362 6.488 50 10 JKGE CC(C)(C)[C@H](CCBr)NC(=O)c1c(Br)cccc1Br 2094087968 GAQAWSGHSFTKGM-NSHDSACASA-N 456.016 5.141 50 10 JKGE COc1ccc(Br)cc1[C@H](Br)c1cc(Br)c(OC)s1 2095774098 KMTVSZKQWAXMPY-LBPRGKRZSA-N 471.008 5.775 50 10 JKGE Clc1cccc(Cl)c1C[C@H](Cl)c1cc(Br)ccc1I 2104784139 STAMDOVIUNWYBA-ZDUSSCGKSA-N 490.393 6.883 50 10 JKGE Brc1ccc(Br)c(CN2[C@H]3CCC[C@H](Br)[C@H]2CC3)c1 2118530808 GNUSTKDBGNQQHO-AEGPPILISA-N 452.028 5.492 50 10 JKGE BrCC1(Cc2cc(Br)ccc2Br)CC2(CCOC2)C1 2118532344 OKZZJHWSTYXRSS-UHFFFAOYSA-N 453.012 5.336 50 10 JKGE CO[C@@H]1CC[C@@H]1CCOc1c(Br)cc(CBr)cc1Br 2130344047 FFAVCJIYNKTOKK-ZWNOBZJWSA-N 457.000 5.300 50 10 JKGE Cc1cc(Br)c(C)c([C@H](Br)C2[C@H]3CCCC[C@H]23)c1Br 2136378888 GQWSAWSUGARCKM-MMPTUQATSA-N 451.040 6.701 50 10 JKGE COc1csc([C@H](Br)c2c(C)c(Br)cc(C)c2Br)c1 2136380151 RSHGKDPKXNXMIE-AWEZNQCLSA-N 469.036 6.383 50 10 JKGE Cc1cc(Cl)c([C@@H](Br)c2cc(I)ccc2F)cc1Cl 2136691910 IUHCPOBXYGRPFA-CQSZACIVSA-N 473.938 6.530 50 10 JKGE Cc1cc(Cl)c(Br)cc1[C@@H](Br)c1cccc(Br)c1Cl 2137643114 OWXKFGGKAVWJIV-ZDUSSCGKSA-N 487.844 7.311 50 10 JKGE Cc1cc(Cl)c(Br)cc1[C@H](Br)c1ccc(F)c(Br)c1 2137643347 RCFUHNHPKVBXLX-CQSZACIVSA-N 471.389 6.797 50 10 JKGE COc1cc(F)c([C@H](Br)c2cc(Br)oc2C)cc1Br 2138157684 AMRYEYAQMHZSQF-CYBMUJFWSA-N 456.931 5.745 50 10 JKGE CC[C@H](C)c1ccc([C@H](Br)c2cccc(Br)c2Br)cc1 2148752004 RUSIGOJMSIQVLS-ZBEGNZNMSA-N 461.035 7.209 50 10 JKGE C[C@H](Cl)c1nc2cc(Br)c(Cl)cc2n1C[C@@H]1CCN(Cc2ccccc2)C1 2160079534 CJJYUDMGQCIBTJ-GOEBONIOSA-N 467.238 6.274 50 10 JKGE CCCC(CBr)(CCC)CN1C[C@@H](NC(=O)OC(C)(C)C)[C@@H](C(F)(F)F)C1 2163058761 NPNVALJTINEFMW-LSDHHAIUSA-N 459.391 5.355 50 10 JKGE BrCc1ccc(Br)cc1N1CCOCC12CCN(Cc1ccccc1)CC2 2163146038 FWTLUBKOGJORRB-UHFFFAOYSA-N 494.271 5.215 50 10 JKGE Cc1cc(Br)c([C@H](Br)C[C@@H](C(F)F)C(C)(C)C)cc1Br 2167667255 CNWZBBLIWIOKIX-GXFFZTMASA-N 477.025 7.274 50 10 JKGE ClCc1nc2cc(Cl)c(Br)cc2n1Cc1ccsc1Br 2169009750 ZWTWLNPIMPKTDG-UHFFFAOYSA-N 455.002 6.063 50 10 JKGE CN(C(=O)c1ccc(I)c(Cl)c1)[C@H]1CCCCC[C@@H]1Br 2172548588 VKXNUDBVMVRAEB-FZMZJTMJSA-N 470.576 5.113 50 10 JKGE CC(C)[C@@H](C)N(Cc1ccccc1)S(=O)(=O)c1c(CBr)sc2ccccc12 2179826593 UOTPZCWMRDDFSC-MRXNPFEDSA-N 466.466 6.032 50 10 JKGE CCOc1ccc([C@H](Br)c2nn(CC)cc2Br)c(Br)c1 2181175684 MPBDEBAEFIDBTC-ZDUSSCGKSA-N 466.999 5.311 50 10 JKGE C[C@@H]1OCC[C@H]1CCC(CBr)(CBr)c1ccccc1Br 2196315020 KLFZRZXGQUIFMI-QWHCGFSZSA-N 469.055 5.682 50 10 JKGE COc1ccc([C@@H](Cl)c2c(Br)cccc2Br)c(Cl)c1Cl 2203433433 OWVRZXONMXCCSF-GFCCVEGCSA-N 459.392 6.855 50 10 JKGE Cc1c(Br)csc1[C@@H](Br)[C@H](C)c1ccncc1Br 2219005192 KTMCPNNEFCJZMX-KRTXAFLBSA-N 454.025 6.216 50 10 JKGE Clc1cc(Cl)cc(C[C@@H](Br)c2cc(Br)c(Br)s2)c1 2224023190 PSBGELGFBRWADS-SECBINFHSA-N 493.873 7.259 50 10 JKGE CC1([C@@H](Br)c2cc(Br)c(Br)cc2F)CCCCCC1 2225616176 CZNBUQGZVRHWFR-AWEZNQCLSA-N 457.019 7.147 50 10 JKGE Cc1cc(Br)c([C@@H](Br)CC[C@@H]2CC2(C)C)c(C)c1Br 2227361724 GTKXCMJQYOYVHI-NEPJUHHUSA-N 453.056 7.091 50 10 JKGE Fc1ccc(Br)c([C@H](Br)Cc2ccc(Br)cc2Cl)c1 2229148581 DQQOWMHSXRYOFA-CYBMUJFWSA-N 471.389 6.683 50 10 JKGE CC1(C)CN(Cc2c(Br)cccc2Br)C[C@@H]1CCBr 2230138585 PLCICQFZMASVGK-NSHDSACASA-N 454.044 5.455 50 10 JKGE Cc1cc(F)ccc1[C@@H](Br)c1c(Br)cc(Cl)c(Cl)c1Cl 2232510951 INQRPWIFHDHHKL-GFCCVEGCSA-N 461.383 7.341 50 10 JKGE Fc1cc(Br)c(Br)cc1[C@H](Br)c1c(F)ccc(Cl)c1F 2234924915 BTCZEVGSYYKAPH-LBPRGKRZSA-N 493.342 6.767 50 10 JKGE Cc1cc(Br)c([C@H](Br)C[C@@H]2CCC[C@H]3C[C@@H]23)c(C)c1Br 2235607241 YTRXINZENVTWBR-RMRHIDDWSA-N 465.067 7.091 50 10 JKGE Cc1ccc([C@@H](Cl)c2c(Br)cc(C)c(Br)c2C)cc1Br 2235607287 YVYDRUPSUBZMBY-MRXNPFEDSA-N 481.453 7.228 50 10 JKGE Cc1cc(Br)c([C@H](Br)C[C@H]2CCCC2(F)F)c(C)c1Br 2235610395 FDVAKMBZSWLMDZ-ZYHUDNBSSA-N 475.009 7.090 50 10 JKGE COc1cc(Br)c([C@@H](Cl)c2cccc(F)c2I)cc1C 2236026247 SYBBINCRIHBHFY-AWEZNQCLSA-N 469.519 5.838 50 10 JKGE Clc1ccc([C@H](Br)Cc2cc(Br)cc(Br)c2)s1 2252779429 RCXNUZVGSOGTJO-SNVBAGLBSA-N 459.428 6.605 50 10 JKGE CCc1cc([C@H](Cl)c2cc(Br)ccc2Br)sc1Br 2256058097 NGRUTBFIQVFAIY-GFCCVEGCSA-N 473.455 6.926 50 10 JKGE Fc1cc(Br)c(F)c(Br)c1[C@H](Br)[C@@H]1C[C@H]1C(F)F 2260065188 HIRSTVNMQSVQCP-TTWOZLTLSA-N 454.881 5.827 50 10 JKGE COc1c([C@@H](Br)C2CC(Br)C2)cc(Br)c2c1CCC2 2269170080 BZBKSUMCVYJNID-CTCYHXBNSA-N 453.012 5.556 50 10 JKGE COc1cc(C)c(Cl)cc1[C@H](Br)c1cc(Br)c(Br)s1 2277989423 GKHBADRJVUWHRP-LBPRGKRZSA-N 489.454 6.728 50 10 JKGE Clc1ccc(Br)cc1[C@H](Cl)c1cc2sc(Br)cc2s1 2278028030 PUGLLDWWBUXPTK-ZDUSSCGKSA-N 457.039 7.469 50 10 JKGE Cc1ccc([C@H](Br)c2cc3sc(Br)cc3s2)cc1Br 2278103476 VCMDTQVKTAPJOW-AWEZNQCLSA-N 481.072 7.281 50 10 JKGE C=CC[C@]1(CBr)CCCN(Cc2c(Br)cccc2Br)C1 2287716959 VVEBVHDGIXAMPY-MRXNPFEDSA-N 466.055 5.765 50 10 JKGE Cc1ccc(N2C(=O)[C@H](Cc3ccccc3C)SC2=C(C#N)C(=O)NCCc2ccccc2)cc1 2293038482 GMJHNVDUONCVFY-SANMLTNESA-N 481.621 5.089 50 10 JKGE N#CC(=Cc1ccc(-c2ccc(F)cc2)o1)C(=O)Nc1ncc(Cc2cccc3ccccc23)s1 2293038688 UEUGDFXTPYACRT-UHFFFAOYSA-N 479.536 6.832 50 10 JKGE Cc1ccc(Sc2oc(C=C(C#N)C(=O)Nc3ccc(C)cc3C)cc2Br)cc1 2294171912 IVUUIUCESNLCEU-UHFFFAOYSA-N 467.388 6.664 50 10 JKGE C#CCOc1c(Br)cc(C=C(C#N)C(=O)Nc2cccc(Cl)c2)cc1OCC 2295187706 BMJUOXYYQOLDFW-UHFFFAOYSA-N 459.727 5.059 50 10 JKGE O=C(NN=CC=Cc1ccccc1)c1cc(-c2cccc(OCc3ccccc3Cl)c2)[nH]n1 2296196248 DTJWMUFIKSOXKJ-UHFFFAOYSA-N 456.933 5.738 50 10 JKGE N#CC(=Cc1ccc(I)cc1)c1nc(-c2ccc(-c3ccccc3)cc2)cs1 2297213695 FOGBBRLTRXCIEM-UHFFFAOYSA-N 490.369 7.146 50 10 JKGE Brc1cc(OCc2ccccc2)ccc1[C@H](Br)[C@@]12CCCC[C@H]1C2 2299505278 VNOTUPLPLGJDTG-ORYQWCPZSA-N 450.214 7.044 50 10 JKGE C[C@]1([C@@H](Br)c2c(Cl)cc(Br)c(F)c2Br)C[C@@H]1F 2300163151 LFEXENBAJWXBDN-CYUDJLOBSA-N 453.346 6.188 50 10 JKGE Cc1cc(Br)c(F)c(Br)c1[C@@H](Br)C1CC(Br)C1 2301492398 OOGXVIUJVHSNDS-QIMWKCOFSA-N 493.834 6.269 50 10 JKGE Cc1ccc(NC(=O)C(C#N)=Cc2ccc(OCc3ccccc3Cl)c(Br)c2)cc1 2313567171 CONYFEADPQNIRW-UHFFFAOYSA-N 481.777 6.536 50 10 JKGE COc1cc(C=C(C#N)C(=O)Nc2ccc(Cl)c(Cl)c2)ccc1OCc1cccc(C)c1 2313630912 HTVVMHGPWHCMEV-UHFFFAOYSA-N 467.352 6.435 50 10 JKGE COc1ccc(C(=O)Oc2ccc(C=C(C#N)C(=O)Nc3ccc(Cl)c(Cl)c3)cc2OC)cc1 2313631744 VBIFXMLBKYIYPT-UHFFFAOYSA-N 497.334 5.775 50 10 JKGE FC(F)(F)C1([C@H](Br)c2cc(Br)ccc2OCc2ccccc2)CCC1 2314497988 PQIGGXRLNJJSIP-QGZVFWFLSA-N 478.146 7.197 50 10 JKGE N#CC(=Cc1cn(-c2ccccc2)nc1-c1cccc2ccccc12)c1nc(-c2ccco2)cs1 2314519212 DNUIYEBIGCCYJF-UHFFFAOYSA-N 470.557 7.473 50 10 JKGE CCOc1cccc(-c2nn(-c3ccccc3)cc2C=C(C#N)C(=O)NCCc2ccccc2)c1 2314522605 QCFXFNXQUBGPPN-UHFFFAOYSA-N 462.553 5.204 50 10 JKGE Cc1cccc(NC(=O)C(C#N)=Cc2c(Oc3ccc(Cl)cc3Cl)nc3ccccn3c2=O)c1 2314533646 SMZPWEPZRJYSCB-UHFFFAOYSA-N 491.334 5.648 50 10 JKGE C[C@@H]1C[C@H](Br)CCN(Cc2ccc(I)c(Br)c2)C1 2325225756 IRKPDYXWJNCZHN-ZYHUDNBSSA-N 487.017 5.049 50 10 JKGE COc1cc2nc(C(C#N)=Cc3ccc(OCc4ccccc4F)cc3)nc(O)c2cc1OC 2331039414 COJXHKGSGSFELO-UHFFFAOYSA-N 457.461 5.135 50 10 JKGE COc1ccc(-c2csc(C(C#N)=C(O)CCCCCNC(=O)c3ccccc3)n2)cc1OC 2331242868 TWJXQBVKFQUKPW-UHFFFAOYSA-N 477.586 5.610 50 10 JKGE CCCCc1ccc(-c2csc(C(C#N)=C(O)c3ccc4c(c3)C(=O)N(C(C)C)C4=O)n2)cc1 2331256101 TWTBRRAYYFROFD-UHFFFAOYSA-N 471.582 6.107 50 10 JKGE CCOc1ccc(-c2csc(C(C#N)=C(O)COc3ccccc3CC)n2)c(OCC)c1 2331389195 DDJONPFDGKNHSK-UHFFFAOYSA-N 450.560 6.042 50 10 JKGE CCOc1cc(C=C(C#N)c2nc(-c3ccc(CC)cc3)cs2)ccc1OCc1ccccc1C 2331418101 GEKMMTJFAKIJMB-UHFFFAOYSA-N 480.633 7.723 50 10 JKGE N#CC(=Cc1ccccc1OCc1ccccc1Cl)c1nc(-c2ccc3c(c2)OCCO3)cs1 2331452127 KKBKITDYAWKZKW-UHFFFAOYSA-N 486.980 6.878 50 10 JKGE CCCCCCCOc1ccc(-c2csc(C(C#N)=Cc3cccc(OCCC)c3)n2)cc1 2331459755 RONYAWKYTILIJV-UHFFFAOYSA-N 460.643 8.012 50 10 JKGE Brc1cc(OCc2ccccc2)ccc1[C@H](Br)[C@]12CCCC[C@@H]1CCC2 2336053772 LXEXRLIRNCEWAP-LEOXJPRUSA-N 478.268 7.825 50 10 JKGE FC1(F)CCC[C@@H]2[C@H]([C@H](Br)c3ccc(OCc4ccccc4)cc3Br)[C@H]21 2336077154 FTZQMKBPOQRMSO-BTHPGYMESA-N 486.194 7.146 50 10 JKGE CC[C@](C)(C(F)F)[C@H](Br)c1c(Br)cc(Cl)c(Cl)c1Cl 2336598359 ZYKQAWBLJPNDTN-PWSUYJOCSA-N 459.383 7.527 50 10 JKGE CC[C@H](CC(C)C)[C@H](Br)c1c(Cl)cc(Br)c(F)c1Br 2337094901 UJSVUIAINIQSTO-PELKAZGASA-N 479.453 7.512 50 10 JKGE Cc1cc(Br)c(F)c(Br)c1[C@H](Br)C[C@]12CCC[C@H]1C2 2339655089 CLVHRUAZGSDDDS-ZVWUFJHRSA-N 455.003 6.675 50 10 JKGE Fc1cc(Cl)c(Br)c(Cl)c1[C@@H](Br)Cc1cccc(Cl)c1 2360423571 MXSFWPLKERMJRG-VIFPVBQESA-N 461.383 7.227 50 10 JKGE Fc1cc(Cl)c(Br)c(Cl)c1[C@H](Br)C1(CC(F)(F)F)CC1 2360425011 YMGGSZSWTOWWGF-JTQLQIEISA-N 458.902 7.064 50 10 JKGE CC(C)(C)OC1CC(C[C@@H](Cl)c2cc(Br)ccc2OCc2ccccc2)C1 2361170305 CJVGXUAZKPMBOU-CNBHCMJISA-N 451.832 7.292 50 10 JKGE Fc1c(Br)cc(Cl)c([C@H](Br)[C@@H]2CC23CCOCC3)c1Br 2362238447 VRXLXZRNYKJUJV-WRWORJQWSA-N 491.420 6.257 50 10 JKGE Clc1ccc(CC2(CBr)CC3(C2)CC32CCC2)cc1I 2362377962 FMOWNRCAZLZAEZ-UHFFFAOYSA-N 465.600 6.223 50 10 JKGE Fc1cc(Br)c(Br)cc1[C@@H](Br)[C@@H]1COC2(CCC2)CO1 2364134573 KIKAYEUGLCBYKE-QWHCGFSZSA-N 472.974 5.125 50 10 JKGE Cc1cc(Br)c(F)c(Br)c1[C@H](Br)C[C@H]1C[C@H]2CC[C@H]1C2 2365179139 NHDMSRSTXSKJRM-NNYUYHANSA-N 469.030 6.921 50 10 JKGE Cc1cc(Br)c(F)c(Br)c1[C@H](Br)C(C)(C)CC(F)(F)F 2365188505 MAFFKUUYRXJUIT-NSHDSACASA-N 484.951 7.074 50 10 JKGE Cc1cc(Br)c(F)c(Br)c1[C@H](Br)[C@@H]1C[C@@]1(C)C(F)(F)F 2365190174 CCAIUANQOJKKFQ-PNLAZUSQSA-N 482.935 6.684 50 10 JKGE C[C@@H](Br)CC1C[C@@H]2CC[C@H](C1)N2c1ncc(Br)cc1Br 2366972806 VYTTYJITXWXXGT-KVAMGIGCSA-N 467.043 5.528 50 10 JKGE Cc1scc([C@H](Br)c2cc(Br)cc3c2O[C@@H](C)C3)c1Br 2369595774 GPGCCXCCMCYULT-JKYUHCHBSA-N 481.047 6.389 50 10 JKGE CC1(C)CC(CBr)(CN2CC[C@@H](NC(=O)OC(C)(C)C)C[C@@H]2C(F)(F)F)C1 2371131729 RAKOAKREKKTRET-ZIAGYGMSSA-N 457.375 5.108 50 10 JKGE COc1cccc(CCl)c1OCc1ccc(I)c(Br)c1 2377293335 YBFITUDYTYRAFR-UHFFFAOYSA-N 467.528 5.380 50 10 JKGE CNC(=O)/C(C#N)=C1\SC=C(c2ccc(-c3cc(Cl)ccc3Cl)o2)N1c1ccccc1 2421437 IEECKHXZFWVRIR-QJOMJCCJSA-N 468.365 6.286 50 10 JKGE N#CC1=C(S)N[C@@](O)(c2ccccc2)[C@H]([n+]2cccc3cc(Cl)ccc32)[C@H]1c1ccc(F)cc1 19805108 SURHRMXIRQVTFB-ZWEKWIFMSA-O 488.995 5.358 50 10 JKGE COc1ccc(NC(=O)/C(C#N)=C\c2c[nH]c3ccc(OCc4ccccc4)cc23)c([N+](=O)[O-])c1 33248183 PWVYPEANJIYEAR-WQRHYEAKSA-N 468.469 5.209 50 10 JKGE COc1cc([N+](=O)[O-])c(Cl)cc1-c1ccc(/C=C(/C#N)c2nn(-c3ccccc3)c(N)c2C#N)o1 33406145 LZZUKDFUTIJGMN-ZROIWOOFSA-N 486.875 5.221 50 10 JKGE ClCCN(CCCl)c1ccc(OCCCCCNc2c3ccccc3nc3ccccc23)cc1 38140023 NIZDVIQCEKPWHW-UHFFFAOYSA-N 496.482 7.333 50 10 JKGE CCCCOc1ccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4ccc(OCC)cc4)ccc32)cc1 38650798 WWXGNZTXWLLWMT-MHZLTWQESA-N 484.552 5.702 50 10 JKGE CC(C)Oc1ccc(C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@@H]3c2ccc(Cl)cc2)cc1 38651363 JHJLZXKCDKOACL-XMMPIXPASA-N 460.917 5.565 50 10 JKGE CCCOc1ccccc1[C@H]1C(C#N)=C(N)Oc2cc(OC(=O)c3cccc4ccccc34)ccc21 38681657 PWHPHQJFCFNQQG-MUUNZHRXSA-N 476.532 6.066 50 10 JKGE Cc1ccc(C)c(NC(=O)/C(C#N)=C\c2c(Oc3ccc(Cl)c(C)c3)nc3ccccn3c2=O)c1 39858745 SOIGXJYJNUQRPN-RGEXLXHISA-N 484.943 5.611 50 10 JKGE Cc1c(C(=O)Oc2ccc(Cl)cc2Cl)oc2c1/C(=N/NC(=O)COc1ccccc1)CCC2 40816194 PPZXCJACBIDNIZ-OVVQPSECSA-N 487.339 5.350 50 10 JKGE Cc1c(C(=O)Nc2ccccc2)oc2c1/C(=N/NC(=O)COc1ccc(Cl)cc1Cl)CCC2 40816348 HKTUXNXQJWNVAO-MTDXEUNCSA-N 486.355 5.383 50 10 JKGE Cc1ccc(NC(=O)c2oc3c(c2C)/C(=N/NC(=O)c2ccc4ccccc4n2)CCC3)c(C)c1 40825744 JRWIKLIDYPZDDW-DFKUXCBWSA-N 466.541 5.476 50 10 JKGE Cc1c(/C=N\NC(=O)CC[C@@H](O)c2ccccc2)c2ccccc2n1Cc1ccc(Cl)cc1Cl 58891137 PPSQJGWIMXBERP-WKRIOBBOSA-N 494.422 6.269 50 10 JKGE CC(C)Cc1ccc([C@@H](C)C(=O)NNC(=O)CCCOc2ccc(Cl)cc2Cl)cc1 66199277 YLVJOODOBAUALJ-MRXNPFEDSA-N 451.394 5.302 50 10 JKGE Fc1cc([C@@H](Br)c2cc(F)c(Br)cc2F)ccc1Br 70474436 SZPKXLHGMSMAOL-CYBMUJFWSA-N 458.897 6.113 50 10 JKGE Fc1cc2c(cc1I)nc(CCCl)n2-c1ccccc1Br 97408528 TUVVJNKPEOWXHC-UHFFFAOYSA-N 479.518 5.313 50 10 JKGE CC1(C)[C@@H](Oc2c(I)cc(Cl)c3cccnc23)C[C@H]1Br 97646908 JNMYGPOWQVDCGK-NEPJUHHUSA-N 466.544 5.434 50 10 JKGE Cc1cc(/C=C(/C#N)C(=O)OCC(=O)Nc2cc(Cl)c(Cl)cc2Cl)c(C)n1CCC(C)C 97657943 XRLBKICZLNHLRT-IUXPMGMMSA-N 496.822 6.200 50 10 JKGE C[C@@H]1CCCC[C@@H]1NC(=O)[C@@H](c1ccccc1Cl)N(Cc1ccc(Cl)cc1)C(=O)CCl 97914354 CUHNQYISIRIYKE-XORNHQRDSA-N 481.851 5.997 50 10 JKGE CCOc1ccc([C@@H](C(=O)NC2CCCCCC2)N(Cc2ccccc2)C(=O)CCl)cc1OC 97914944 ACLONJGEQRRPFP-SANMLTNESA-N 487.040 5.242 50 10 JKGE C=CCNC(=O)/C(C#N)=C1\S[C@@H](Cc2cccc(C(F)(F)F)c2)C(=O)N1c1ccc(C)c(C)c1 101241974 QBHAISPWSVENBW-YWDBVWQESA-N 485.531 5.051 50 10 JKGE Cc1ccc(N2C(=O)[C@@H](Cc3cccc(Cl)c3)S/C2=C(/C#N)C(=O)Nc2ccc(F)cc2)cc1 102769668 BUWQDXVDDXJDML-YMGIJWJESA-N 491.975 5.853 50 10 JKGE CCOc1c(Br)cc(Br)cc1/C=C(/CBr)C1CCCCC1 127519611 JUNNKKBWKKMYPH-ZSOIEALJSA-N 481.066 6.969 50 10 JKGE CN(C(=O)c1cc(Br)c(Br)s1)[C@@H]1CCCC[C@H]1Br 158102842 ZAPUGYQITYTCPF-VXNVDRBHSA-N 460.029 5.051 50 10 JKGE Cc1cc(I)ccc1NC(=O)/C(C#N)=C\Nc1c(C)cccc1C(C)C 217253675 VGVCTFNYHKNMJO-VBKFSLOCSA-N 459.331 5.490 50 10 JKGE COc1ccc([C@@H](Br)c2cc(Br)ccc2Cl)c(OC)c1Cl 224656687 MBGZLUQPKRJLLA-CYBMUJFWSA-N 454.973 6.257 50 10 JKGE C[C@@H]1Cc2cc([C@@H](Br)c3ccc(I)c(Cl)c3)ccc2O1 232343495 UWNHXJZGOVMDOS-JDNHERCYSA-N 463.540 5.752 50 10 JKGE Brc1cc([C@H](Br)c2cnn(-c3ccccc3)c2)c(Br)s1 232454955 RLZXWVGZFOLDBC-CYBMUJFWSA-N 477.019 5.943 50 10 JKGE COc1ccc([C@@H](Br)c2cc(Br)cc(Br)c2)cc1F 234971328 LDMLHACAZHMNAA-CQSZACIVSA-N 452.943 5.844 50 10 JKGE Cc1cc([C@@H](Br)c2cccc(C)c2I)c(Cl)cc1F 235867020 BPJPXEZKPBLVPV-AWEZNQCLSA-N 453.520 6.185 50 10 JKGE CC[C@]1(C)[C@H](Br)C[C@H]1Oc1c(Br)cc([N+](=O)[O-])cc1Br 251251818 MWGXRZSBFNWXGO-NQBHXWOUSA-N 471.971 5.451 50 10 JKGE O=C(CSc1nnc(SCc2cccc3ccccc23)s1)NN=Cc1ccccc1[N+](=O)[O-] 254401422 UOCCWEMQZMTNCM-UHFFFAOYSA-N 495.611 5.134 50 10 JKGE Cc1ccc(SSC(Cl)=NC(=C(C(F)(F)F)C(F)(F)F)C(F)(F)C(F)(F)F)cc1 254669462 RYJIABYNFROGKH-UHFFFAOYSA-N 497.782 7.906 50 10 JKGE Clc1ccc([C@H](Br)c2cc3c(cc2Br)OCC3)cc1Br 308415200 MIADMGRPMBIEAM-HNNXBMFYSA-N 481.409 6.284 50 10 JKGE C[C@@H]1C[C@@H](n2c(CCCl)nc3cc(Br)c(F)cc32)CN1Cc1ccccc1 398227842 VPICAKYZOWAWAX-GDBMZVCRSA-N 450.783 5.555 50 10 JKGE CC(C)(C)[Si](C)(C)OCCc1cccc([C@@H]2COCCCN2S(=O)(=O)c2ccccc2)c1 616597954 JRLXXABVTJZNBX-DEOSSOPVSA-N 475.727 5.403 50 10 JKGE CC(C)(C)[Si](C)(C)OCCN1CCCCC[C@@H]1c1ccc(CO[Si](C)(C)C(C)(C)C)cc1 616604103 AQFFFHXDRYGQGZ-RUZDIDTESA-N 477.882 8.147 50 10 JKGE CC(C)(C)OC(=O)N1c2ccccc2CC[C@@H]1c1ccccc1CO[Si](C)(C)C(C)(C)C 616669370 OALBAVBEOXWSSD-XMMPIXPASA-N 453.699 7.637 50 10 JKGE CCn1cc([C@H](Cl)c2cc(Br)c(C)cc2Br)nc1Br 698371294 NOSJMQNHONOURU-GFCCVEGCSA-N 471.418 5.827 50 10 JKGE Cn1cc([C@@H](Br)c2csc3c(Br)cccc23)nc1Br 698450444 FIDMUKVKWJGDHN-NSHDSACASA-N 465.008 5.644 50 10 JKGE COc1ccc([C@H](Cl)c2ccc(I)c(Br)c2)c(F)c1 721601875 IFOWUYGTLQCQFX-CQSZACIVSA-N 455.492 5.530 50 10 JKGE CCCC[Sn](CCCC)(CCCC)c1cc(CO[Si](C)(C)C)ccn1 725242467 IFNBMENWQCTOBQ-UHFFFAOYSA-N 470.362 6.489 50 10 JKGE Cc1ccc(C(=O)NN=C2C(=O)N(C(c3ccccc3)c3ccccc3)c3ccccc32)cc1Cl 1083887341 GEKUWEWNBAURMI-UHFFFAOYSA-N 479.967 5.919 50 10 JKGE CCOc1ccc(C(=O)NN=Cc2ccc(OCc3ccc(Cl)c(Cl)c3)c(OC)c2)cc1 1083910902 KXUDVYADTCHDNP-UHFFFAOYSA-N 473.356 5.744 50 10 JKGE O=C(CSc1c(Cl)c(Cl)c(Cl)c(Cl)c1Cl)NN=Cc1ccccc1[N+](=O)[O-] 1084263386 SXQPNYPHPNPLBJ-UHFFFAOYSA-N 487.579 6.104 50 10 JKGE Cc1ccc(C(CSc2nc3ccccc3[nH]2)=NNC(=O)c2cccc([N+](=O)[O-])c2)c(C)c1 1084361200 BXVXIPVPYYLZQB-UHFFFAOYSA-N 459.531 5.014 50 10 JKGE Cc1c(C(=O)Nc2ccc(Cl)c(Cl)c2)oc2c1C(=NNC(=O)c1ccccc1O)CCC2 1772751528 FFOAJRSCJGXMQB-UHFFFAOYSA-N 472.328 5.323 50 10 JKGE COc1ccc(-c2nn(Cc3ccc(C)cc3)c3c2[C@H](c2ccccc2F)C(C#N)=C(N)O3)cc1 1865684323 WMGLMGCTSNJREU-XMMPIXPASA-N 466.516 5.273 50 10 JKGE COc1ccc2ccccc2c1[C@H]1C(C#N)=C(N)Oc2c1c(C)nn2Cc1ccc(Cl)cc1 1865688738 ZNRRTJSBCBLRCK-DEOSSOPVSA-N 456.933 5.273 50 10 JKGE CCCCOc1ccc([C@@H]2C(C#N)=C(N)Oc3c2c(-c2ccccc2)nn3-c2ccccc2Cl)cc1 1865690518 TXTQDNXITUNQRR-RUZDIDTESA-N 496.998 6.590 50 10 JKGE CCCOc1ccc([C@@H]2C(C#N)=C(N)Oc3c2c(CC)nn3Cc2cccc(Cl)c2)cc1OCC 1865690865 CXGCMKFSYQIFIV-XMMPIXPASA-N 493.007 5.553 50 10 JKGE CCCOc1cccc([C@H]2C(C#N)=C(N)Oc3c2c(CCC)nn3Cc2c(F)cccc2Cl)c1 1865692547 CBLWJVRPAGAXRD-QHCPKHFHSA-N 480.971 5.683 50 10 JKGE COc1ccc(-c2nn(Cc3ccc(C)cc3)c3c2[C@H](c2sccc2C)C(C#N)=C(N)O3)cc1 1865698832 DIEHWJOLVMIQHK-JOCHJYFZSA-N 468.582 5.504 50 10 JKGE CCCc1nn(Cc2ccc(Cl)cc2)c2c1[C@H](c1cn(C)c3ccccc13)C(C#N)=C(N)O2 1865699323 QNJMWCVDDRAUPN-QHCPKHFHSA-N 457.965 5.247 50 10 JKGE Cc1ccc(Cn2nc(-c3ccccc3)c3c2OC(N)=C(C#N)[C@@H]3c2cccc([N+](=O)[O-])c2)cc1 1865705671 BOPVDZYJLOYWPD-QHCPKHFHSA-N 463.497 5.033 50 10 JKGE CCc1nn(-c2ccccc2)c2c1[C@@H](c1ccc(N(CC)Cc3ccccc3)cc1)C(C#N)=C(N)O2 1865707435 XAAKZLQKQQJSAR-MHZLTWQESA-N 475.596 5.679 50 10 JKGE CC(C)(NC(=O)C[C@H](c1ccc(F)cc1)c1cccc(F)c1)C(=O)Nc1ccc(SC#N)cc1 1866763788 NNSVUYITXWXNKP-HSZRJFAPSA-N 479.552 5.593 50 10 JKGE COc1cc(/C=C(\C#N)c2cc3c(cc2[N+](=O)[O-])OCCO3)cc(OC)c1OCc1ccccc1 1872728564 JFWDTYNBEBYLDO-VXLYETTFSA-N 474.469 5.026 50 10 JKGE COc1ccc(-c2csc(/C(C#N)=C(\O)[C@H]3CC(=O)N(c4cc(Cl)ccc4OC)C3)n2)cc1 1872746136 UFMSIHMGBUOJCT-ACNSNUFOSA-N 481.961 5.326 50 10 JKGE COc1ccc(C(C)(C)C)cc1-c1csc(/C(C#N)=C(\O)C(c2ccccc2)c2ccccc2)n1 1872751413 GXXMAZDQCCHKBJ-COOPMVRXSA-N 480.633 7.741 50 10 JKGE COc1ccc(OC)c(/C=C/C(O)=C(\C#N)c2nc(-c3cc(Cl)c(OC)c(Cl)c3)cs2)c1 1872756298 WPSSDAYQLRGKTL-IQHVPDIVSA-N 489.380 6.649 50 10 JKGE COc1cc(OC)c(-c2csc(/C(C#N)=C(\O)[C@@H](C)Oc3ccc(C(C)C)cc3)n2)cc1Cl 1872756503 MRBWHYGTPUPRCF-ZLVLUESYSA-N 485.005 6.864 50 10 JKGE COc1ccc(-c2csc(/C(C#N)=C(\O)CNC(=O)c3ccc(C(C)(C)C)cc3)n2)c2ccccc12 1872758982 ZPQMVVQHOYUYPF-BZZOAKBMSA-N 497.620 6.492 50 10 JKGE CC1(C)CC([C@@H](Br)c2cc(Br)sc2Br)CC(C)(C)C1 1878993354 GPUAUEYPZBFBQU-GFCCVEGCSA-N 473.112 7.562 50 10 JKGE Cc1cc(S(=O)(=O)N(Cc2ccccc2)Cc2ccccc2)cc(CBr)c1F 1885383028 OOQHBZFHHZUPOZ-UHFFFAOYSA-N 462.384 5.420 50 10 JKGE C[C@H](Br)CN(Cc1ccccc1)C(=O)c1ccc2cc(Br)ccc2c1 1914635123 VOSBGKJQVYYGBX-HNNXBMFYSA-N 461.197 6.028 50 10 JKGE O=C(c1cc(C(F)(F)F)ccc1Cl)N(Cc1ccccc1)[C@H](CBr)C1CC1 1915268850 APQNIGCGBTWDGT-GOSISDBHSA-N 460.721 6.175 50 10 JKGE CC(C)(CBr)N(Cc1ccccc1)Cc1cccc(Br)c1Br 1915755325 MKTQSHHUFURQQY-UHFFFAOYSA-N 490.077 6.387 50 10 JKGE Cc1cc([C@H](Br)c2c(C)cc(C)c(Br)c2C)oc1Br 1917594918 MFBCSOHBSWXONC-AWEZNQCLSA-N 450.996 6.523 50 10 JKGE Cc1ccc([C@H](Cl)c2c(Br)sc(Br)c2Cl)c(Br)c1 1923037213 BJQROZWFHCWPAA-VIFPVBQESA-N 493.873 7.326 50 10 JKGE FC(F)(F)COC[C@H](Br)c1c(Br)sc(Br)c1Cl 1923048705 IDKUZWWCHXFCBT-VKHMYHEASA-N 481.353 5.941 50 10 JKGE CCOC1CC([C@H](Br)c2c(Br)sc(Br)c2Cl)C1 1923068521 SQRAMXNUWPWYCD-QIECLKSESA-N 467.448 6.178 50 10 JKGE CC1(C)CCC[C@@H]1[C@H](Cl)c1c(Br)sc(Br)c1Br 1924583642 MUSGQGOTGIIKOW-MUWHJKNJSA-N 465.476 7.142 50 10 JKGE FC(F)C1([C@@H](Cl)c2c(Br)sc(Br)c2Br)CC1 1924608912 PCCBTFDIKNMCCD-YFKPBYRVSA-N 459.375 6.361 50 10 JKGE Fc1cccc([C@H](Br)c2c(Cl)sc(Br)c2Cl)c1Br 1925585093 MVMUHWWDVOFZRG-QMMMGPOBSA-N 497.836 7.203 50 10 JKGE O=C(NC[C@H](CCCC[C@@H]1CCSS1)C(=O)O)OCC1c2ccccc2-c2ccccc21 1951508210 WSVMBKSDIBMLAY-ZWKOTPCHSA-N 471.644 5.940 50 10 JKGE C[C@@H](Br)CN(Cc1ccccc1)Cc1cc(Br)ccc1Br 1957335611 GLGDLZPTTWEGTK-CYBMUJFWSA-N 476.050 5.997 50 10 JKGE CN(Cc1sccc1Br)c1ccc(CBr)c(Br)c1 2039294041 BAKCGGZADOXLIO-UHFFFAOYSA-N 454.025 5.804 50 10 JKGE CC(C)(C)OC(=O)NCCCN(CCCCCBr)c1cccc(Br)c1 2044703761 XGMXBWBNOOXRKM-UHFFFAOYSA-N 478.269 5.736 50 10 JKGE COc1ccc(C)c([C@H](Br)c2sc(Br)cc2Br)c1 2047194483 AYNIPLJVUBFNMB-LBPRGKRZSA-N 455.009 6.074 50 10 JKGE Cl[C@H](Cc1c(Br)cccc1Br)c1ccccc1Br 2050533602 SJTSOQHZTSPKSM-CQSZACIVSA-N 453.399 6.497 50 10 JKGE Cc1sc(Br)c([C@H](Br)c2nn(C)c(Br)c2C)c1C 2082871162 NZCPGWFITBFEBS-VIFPVBQESA-N 457.029 5.416 50 10 JKGE Cc1cc([C@H](Cl)c2ccc(Br)c(C)c2Br)oc1Br 2083312196 QPIJMQVRZNGOJG-GFCCVEGCSA-N 457.387 6.512 50 10 JKGE FC(F)(F)C(F)(F)C[C@@H](Br)c1ccc(Br)cc1Br 2083317853 KCXMXCCGGKKGDY-MRVPVSSYSA-N 460.860 6.235 50 10 JKGE C[C@H]1Cc2cc([C@H](Br)c3csc(Br)c3Br)ccc2O1 2093942472 SSFDJSRBEWJAIR-MADCSZMMSA-N 467.020 6.081 50 10 JKGE Clc1csc([C@H](Br)c2csc3c(Br)cccc23)c1Cl 2096221956 QJNLIKAUTBBUGU-SNVBAGLBSA-N 457.039 7.516 50 10 JKGE O=C(NC[C@H]1CCCC[C@@H](Br)C1)c1scc(Br)c1Br 2107496792 GEZGAKFIMSKROR-DTWKUNHWSA-N 474.056 5.347 50 10 JKGE Cc1cc(Br)c([C@H](Br)C[C@@H]2C[C@H]2C(F)(F)F)cc1Br 2128765886 IZQFNAUAUKRZMJ-LPBBDHJYSA-N 464.945 6.545 50 10 JKGE Cc1cc([C@@H](Br)c2c(C)c(Br)cc(C)c2Br)sc1C 2136379844 OPZXBLWGXKMNMO-OAHLLOKOSA-N 467.064 6.991 50 10 JKGE Fc1cc(Br)c([C@H](Cl)c2ccccc2OCc2ccccc2)c(F)c1Cl 2136958005 ZUCKPDUPFRCRRT-GOSISDBHSA-N 458.129 7.288 50 10 JKGE C[C@@H]1CC[C@@](C)([C@@H](Br)c2ccc(Br)cc2Br)C1(C)C 2138848744 HMIUZPLLOSRODS-OOVXXXAESA-N 453.056 7.110 50 10 JKGE C[C@@H]1Cc2cc([C@@H](Cl)c3cccc(I)c3)cc(Br)c2O1 2146616253 ONSRDJNFQLBSNE-PSLIRLAXSA-N 463.540 5.705 50 10 JKGE FC1(F)C[C@]12CCC[C@@H]([C@H](Br)c1cc(Br)ccc1Br)C2 2156117870 VBOODUOLFCAKGH-BIGNPOOSSA-N 472.993 6.863 50 10 JKGE Cc1csc([C@@H](Br)c2cc(Br)c3c(c2)CCCO3)c1Br 2157028623 AKFRFAKQHRSODD-ZDUSSCGKSA-N 481.047 6.391 50 10 JKGE Cc1cc([C@@H](Br)c2cc(Br)cc3c2OCCC3)c(Br)s1 2157245590 QGRNGQAXHUAVLE-ZDUSSCGKSA-N 481.047 6.391 50 10 JKGE Cc1c(Cl)cc([C@@H](Br)c2ccc(F)c(Br)c2F)cc1Br 2167382502 GXSDPDGHNHZTCA-GFCCVEGCSA-N 489.379 6.936 50 10 JKGE FC(F)(F)[C@]1(CBr)CCN(Cc2cccc(Br)c2Br)C1 2167674379 KWPVSQMGJOLWIR-LBPRGKRZSA-N 479.960 5.361 50 10 JKGE Fc1cc(Br)c([C@@H](Br)c2c(Cl)cccc2Br)c(F)c1F 2169463181 ANEODOKMGBGCKV-NSHDSACASA-N 493.342 6.767 50 10 JKGE CCOc1cc(Cl)c([C@H](Br)c2cc(Br)c(Cl)s2)cc1Cl 2172568781 GHTAFGNURUXUIM-LBPRGKRZSA-N 479.448 7.354 50 10 JKGE ClCc1nc2c(Br)cccc2n1Cc1cccc(I)c1 2175855727 TXJWVXZVQXKDAR-UHFFFAOYSA-N 461.528 5.191 50 10 JKGE BrCc1cc(Br)c(OCC2C[C@@H]3CCC[C@H]3C2)c(Br)c1 2183360180 UIGBHXVLYSQTJM-STQMWFEESA-N 467.039 6.312 50 10 JKGE C[C@H]1C[C@H](n2c(CCl)nc3cc(Br)c(F)cc32)CN(Cc2ccccc2)C1 2184260836 PQHRATVTUNXXQK-HOCLYGCPSA-N 450.783 5.760 50 10 JKGE Fc1cccc([C@@H](CI)OCc2cc(Cl)ccc2Br)c1 2200753186 QLPHFLVZBXELNU-OAHLLOKOSA-N 469.519 5.935 50 10 JKGE Fc1cc(Br)c([C@H](Br)c2cccc(Cl)c2Cl)c(F)c1Cl 2201619562 RQCDWOYXUKIBBH-SNVBAGLBSA-N 465.346 7.172 50 10 JKGE O=C(c1cc(Br)sc1Br)N1CCCC12CCC(Br)CC2 2202249663 SIBDXDDKXHISDL-UHFFFAOYSA-N 486.067 5.585 50 10 JKGE CCOc1cc(CBr)cc(Br)c1OC[C@@]1(Br)CC1(F)F 2202511476 XDJUOQGNONFHMT-LBPRGKRZSA-N 478.953 5.294 50 10 JKGE Cc1c(Br)sc([C@H](Br)[C@@H]2CC[C@@H]2C(F)(F)F)c1Br 2217674185 MRAMQVSRPSMPHR-GKROBHDKSA-N 470.974 6.606 50 10 JKGE COc1cc(F)ccc1[C@@H](Cl)c1c(Br)sc(Br)c1Br 2225634434 OUOPFLGZZRVMCQ-SNVBAGLBSA-N 493.417 6.512 50 10 JKGE Cc1cc(Br)c([C@@H](Br)CC(F)(F)C(F)F)c(C)c1Br 2227351293 LFLPEWGUUFNQFQ-QMMMGPOBSA-N 470.924 6.555 50 10 JKGE CC1(C)CO[C@H](C[C@H](Br)c2c(Br)cc(Cl)c(Cl)c2Cl)C1 2232520299 NUQJWAOSVVTMJU-SFYZADRCSA-N 465.440 7.051 50 10 JKGE CCCOc1ccc([C@@H](Br)c2scc(Br)c2C)cc1Br 2234517514 PFVHVZWBBCVDTP-CQSZACIVSA-N 483.063 6.855 50 10 JKGE Fc1cc(Br)c(F)c(Br)c1[C@H](Br)[C@H]1C[C@H]1Br 2244999552 OKDRQNVFWVDJTK-JJXKXHSHSA-N 483.770 5.709 50 10 JKGE Cc1sc([C@@H](Cl)c2ccc(I)c(Cl)c2)c(Br)c1C 2253475388 XVKBHBOOCOXVPL-LBPRGKRZSA-N 476.004 6.714 50 10 JKGE CCc1cc([C@@H](Br)c2ccc(Br)cc2Cl)sc1Br 2255987926 GBCNGJKZBSCCSA-LBPRGKRZSA-N 473.455 6.973 50 10 JKGE CC(C)[C@H](CBr)N(Cc1ccccc1)C(=O)c1cc(F)c(Br)cc1Cl 2256017307 QYMRCQAFQASZJG-SFHVURJKSA-N 491.626 6.304 50 10 JKGE COc1cc(C)c(Cl)cc1[C@@H](Br)c1csc(I)c1 2263460899 OVLWKYJNDLPSFA-ZDUSSCGKSA-N 457.558 5.807 50 10 JKGE CC[C@@H]1CC[C@@H]([C@H](Br)c2c(F)cc(Br)c(F)c2Br)O1 2272722598 UBWZXORTGGUDQT-PUMQYWBSSA-N 462.954 5.883 50 10 JKGE CC(C)C[C@@H]1C[C@@H]1[C@H](Br)c1c(F)cc(Br)c(F)c1Br 2272730030 ARYSQSSJTCBUKT-LWINAJNOSA-N 460.982 6.608 50 10 JKGE FC(F)(F)[C@@H]1C[C@H]1C[C@H](Br)Cc1cc(Br)cc(Br)c1 2277957561 VOHUYUYUHBPXJG-KBVBSXBZSA-N 464.945 6.106 50 10 JKGE Cc1cc(Br)c([C@H](Cl)c2cc(F)c(Br)cc2F)cc1Br 2282135436 FFECUSNXDZRIPC-AWEZNQCLSA-N 489.379 6.889 50 10 JKGE CCCCc1ccc([C@H](Br)c2ccc(Cl)c(I)c2)cc1 2283582634 KOYAMUKCFRVECK-KRWDZBQOSA-N 463.584 6.772 50 10 JKGE C[C@H](Br)CN(CC(C)(C)C)C(=O)c1cc(Br)ccc1Br 2288058659 IKXVNNICSGYEIL-JTQLQIEISA-N 470.043 5.483 50 10 JKGE CCc1ccc(-c2csc(C(C#N)=CNc3ccc4c(C(F)(F)F)cc(=O)oc4c3)n2)cc1 2295945888 PYDXAACCGZVIKD-UHFFFAOYSA-N 467.472 6.474 50 10 JKGE Brc1cc(OCc2ccccc2)ccc1[C@H](Br)C[C@@H]1CC[C@@H]2C[C@@H]12 2299505116 TWTQZOFXOCEWGN-WOUAJJJCSA-N 450.214 6.900 50 10 JKGE Brc1ccc(OCc2ccccc2)c([C@H](Br)[C@H]2[C@H]3CCCC[C@H]32)c1 2299535612 RATHXYRKGINITF-JWWGGVBKSA-N 450.214 6.900 50 10 JKGE CC(C)(C)OC(=O)N1C[C@H](I)[C@@H](OCc2cc(F)c(Cl)cc2Cl)C1 2306242650 BEBSOVJNVRHOSU-KBPBESRZSA-N 490.140 5.072 50 10 JKGE COc1cc(C=C(C#N)C(=O)NCc2ccc3c(c2)OCO3)ccc1OCc1c(F)cccc1Cl 2313738922 YNIRAPQRAPDUCV-UHFFFAOYSA-N 494.906 5.019 50 10 JKGE Fc1cc(Cl)c(Br)c(Cl)c1[C@@H](Br)c1sncc1Br 2313745051 QWIMUXZJKZDFOJ-MRVPVSSYSA-N 498.824 6.598 50 10 JKGE CNC(=O)C(C#N)=Cc1cn(-c2ccccc2)nc1-c1cccc(OCc2ccccc2Cl)c1 2314478947 YBTCMWZCZURNLH-UHFFFAOYSA-N 468.944 5.425 50 10 JKGE Cc1ccc([C@H](Br)c2ccc(OCc3ccccc3)cc2Br)c(Cl)c1 2314499621 DXRAUYUGWRMASY-OAQYLSRUSA-N 480.627 7.474 50 10 JKGE Cc1c(Cl)sc(Cl)c1[C@H](Br)c1cc(Br)ccc1Br 2314510795 DWVWXBSKWQZLCA-SNVBAGLBSA-N 493.873 7.373 50 10 JKGE CCOc1ccc(N2C(=O)[C@@H](Cc3ccccc3F)SC2=C(C#N)C(=O)Nc2ccccc2)cc1 2314591838 FZCVPJZFTGHQGR-XMMPIXPASA-N 487.556 5.289 50 10 JKGE CCc1ccc(C[C@H]2SC(=C(C#N)C(=O)NCc3ccccc3)N(c3ccc(C)c(C)c3)C2=O)cc1 2314593969 WQUKJKLQUOEWNL-HHHXNRCGSA-N 495.648 5.609 50 10 JKGE C=CCNC(=O)C(C#N)=C1S[C@@H](Cc2cc(Cl)cc(Cl)c2)C(=O)N1c1ccc(C)c(C)c1 2314594101 ZBEWFJHILZJEBK-NRFANRHFSA-N 486.424 5.339 50 10 JKGE CCCOc1ccc(C=C(C#N)C(=O)Oc2ccc(C=C(C#N)c3ccc(Cl)cc3)cc2OC)cc1 2314736622 QJKJVVABSMMYLR-UHFFFAOYSA-N 498.966 6.714 50 10 JKGE Fc1c(Br)cc(Cl)c([C@H](Cl)c2nscc2Br)c1Br 2315442341 SAYPERUAMRVWRY-QMMMGPOBSA-N 498.824 6.551 50 10 JKGE CC1(C)C[C@@]1(Cl)[C@H](Br)c1c(Cl)cc(Br)c(F)c1Br 2315450576 FKEXPARXUNGXMP-ZYHUDNBSSA-N 483.828 6.848 50 10 JKGE C[C@@H]([C@@H](Br)c1c(Cl)cc(Br)c(F)c1Br)C(F)(F)F 2315453035 IZMQNRWVDBGBHH-CLTAVNFZSA-N 477.315 6.639 50 10 JKGE CCN(C[C@](C)(CI)OC[C@H]1CC[C@@H]1C(C)(C)C)C(=O)OC(C)(C)C 2320182336 OMOKRZDENVMCRG-GUXCAODWSA-N 467.432 5.526 50 10 JKGE Cc1ccc(CC(=O)NN=Cc2cn(CCOc3ccc(Cl)cc3)c3ccccc23)c(C)c1 2321221325 XLULWLOKGYSLIU-UHFFFAOYSA-N 459.977 5.683 50 10 JKGE CCOc1c(Cl)cc(C=NNC(=O)c2ccc3nc(SC(C)C)[nH]c3c2)cc1Cl 2323608623 FYZPDAKOORUMBT-UHFFFAOYSA-N 451.379 5.533 50 10 JKGE O=C1C(=Cc2ccc(-c3ccccc3)cc2)Oc2cc(OCc3ccc(CCl)cc3)ccc21 2325339349 BALGDIMKJIJURS-UHFFFAOYSA-N 452.937 7.288 50 10 JKGE CCOc1cc(C=C(C#N)S(=O)(=O)c2ccc(Cl)cc2)ccc1OCc1ccc(F)cc1 2331030671 YAMMVVUWISNPDS-UHFFFAOYSA-N 471.937 5.795 50 10 JKGE CCc1cccc(C)c1N1C[C@@H](C(O)=C(C#N)c2nc(-c3ccc(F)c(C)c3)cs2)CC1=O 2331320673 SRTKICJRLPMUKO-IBGZPJMESA-N 461.562 5.974 50 10 JKGE COc1cc(C)c(-c2csc(C(C#N)=C(O)c3ccc(N(C)C)c([N+](=O)[O-])c3)n2)cc1C 2331403673 AVEKILPJMROUNS-UHFFFAOYSA-N 450.520 5.360 50 10 JKGE COc1ccc(C=CC(O)=C(C#N)c2nc(-c3cc(Cl)ccc3Cl)cs2)cc1OC 2331403929 MXECSQRVOLLYIJ-UHFFFAOYSA-N 459.354 6.640 50 10 JKGE COc1cc(C=C(C#N)c2nc(-c3ccccc3OC)cs2)ccc1OCCc1ccccc1 2331434754 WIWRZXYLGJRTFM-UHFFFAOYSA-N 468.578 6.513 50 10 JKGE CO[C@H]1C[C@@H]([C@@H](Br)c2ccc(OCc3ccccc3)cc2Br)C[C@H]1OC 2336078169 ONNQTCNGCSFVGS-CGRMTHRGSA-N 484.228 5.904 50 10 JKGE Brc1cc(OCc2ccccc2)ccc1[C@@H](Br)c1csc2ccccc12 2336085150 ZSLZSCIABLEQKQ-JOCHJYFZSA-N 488.244 7.727 50 10 JKGE C[C@@H]1CCC[C@](CBr)(Cc2ccc(Cl)c(I)c2)CC1 2337227471 LGXPHLNJGQWBHP-MLGOLLRUSA-N 455.605 6.469 50 10 JKGE CCCCc1ccc([C@@H](Br)c2c(Br)c(Br)nn2C)s1 2338692431 CNEYXMVKGSCYBZ-SNVBAGLBSA-N 471.056 5.834 50 10 JKGE Brc1cc(OCc2ccccc2)ccc1[C@H](Br)[C@H]1C[C@H]2CCC[C@H]1CC2 2338745180 ULVXHNIOFATUSV-AETJXOCKSA-N 478.268 7.681 50 10 JKGE Cc1c([C@H](Br)c2ccc(Br)cc2Br)ccc(Cl)c1Cl 2339052564 KSRZHAKVTZTPCV-ZDUSSCGKSA-N 487.844 7.311 50 10 JKGE Cc1cc(Br)c(F)c(Br)c1[C@@H](Br)[C@H]1COC(C)(C)C1 2339654085 PHEQTLMWHWMTAH-KCJUWKMLSA-N 458.991 5.910 50 10 JKGE Clc1ccc(CC[C@@H](Cl)c2cccc(Br)c2)c(I)c1 2341060845 ZSHSSWGJEVOJII-CQSZACIVSA-N 469.975 6.620 50 10 JKGE Cc1cc(OCc2cc(I)ccc2Br)ncc1CBr 2341781336 VEPALBBAAPZYJT-UHFFFAOYSA-N 496.968 5.231 50 10 JKGE CC1(C)C[C@@H](CBr)CN(Cc2cc(I)ccc2Cl)C1 2352414734 XXDXCZUUUXUXSI-NSHDSACASA-N 456.593 5.188 50 10 JKGE Fc1cc(Cl)c(Br)c(Cl)c1[C@@H](Br)C(F)(F)[C@H]1CCOC1 2360426056 ICVCYSXOESUZDY-ULHQUTTKSA-N 456.911 6.003 50 10 JKGE Cc1ccc(Br)c([C@@H](Cl)c2c(F)cc(Cl)c(Br)c2Cl)c1 2360428747 ISBQSYRRAYPLBO-CYBMUJFWSA-N 461.383 7.294 50 10 JKGE FC(F)(F)[C@@H]1OC2([C@@H](Cl)c3ccc(OCc4ccccc4)cc3Br)CC1C2 2361171456 AQHGIYPUWPYDDR-QYEYTSMBSA-N 461.705 6.418 50 10 JKGE Cc1cccc([C@@H](CBr)OCc2ccc(Cl)cc2I)c1 2365645429 NWEFNELCNLQHBI-MRXNPFEDSA-N 465.556 5.906 50 10 JKGE CC1(C)CC[C@H](Cl)[C@@H](CNCc2ccc(I)c(Br)c2)C1 2377338987 BDIAPBOXRZYDQA-OCCSQVGLSA-N 470.620 5.577 50 10 JKGE CC(C)(C)OC(=O)N1CCC12CCS(=O)(=NC[C@@](C)(CBr)C(C)(C)C)CC2 2380203360 QOZCOPIVQJIDCK-UQZYDQHUSA-N 465.498 5.075 50 10 JKGE Cc1cc(NS(=O)(=O)c2ccc(N/C=C(\C#N)c3nc(-c4ccc(C)c(C)c4)cs3)cc2)no1 17053254 WNUQWEQGBYLSBO-CPNJWEJPSA-N 491.598 5.501 50 10 JKGE COc1cc([C@H]2CC(=O)N3CN(Cc4ccccc4)CSC3=C2C#N)ccc1OCc1ccccc1 20238388 LZLBQWNYNRVULB-XMMPIXPASA-N 497.620 5.489 50 10 JKGE COc1cc([N+](=O)[O-])ccc1NC(=O)/C(C#N)=C\c1cccc(OC(=O)c2cccc3ccccc23)c1 33437204 ZTFAHPBCAFOCBL-ZHZULCJRSA-N 493.475 5.521 50 10 JKGE COc1ccccc1NC(=O)/C(C#N)=C\c1ccc(N2N=C(c3ccccc3)C[C@@H]2c2ccccc2)cc1 33568746 ODTFTOQCMNGDSR-LULHQEEUSA-N 498.586 6.597 50 10 JKGE O=C(NNc1ccc([N+](=O)[O-])cc1)c1ccc2nc(-c3ccccc3)c(-c3ccccc3)nc2c1 33809109 LYWAIKDOMBOVJP-UHFFFAOYSA-N 461.481 5.629 50 10 JKGE Cc1ccc(-c2nc(/C(C#N)=C\C3=Cc4ccccc4O[C@@H]3C)sc2NC(=O)c2ccccc2)cc1 34982831 JNBYWNXBQJBWQK-AUFPJITRSA-N 489.600 7.142 50 10 JKGE Cc1cc(C)cc(N2C(=O)CS[C@@H]2c2cccc(NC(=O)[C@@H](Cl)c3ccccc3)c2)c1 35928687 JFSGLXZGONNOOT-UKILVPOCSA-N 450.991 6.001 50 10 JKGE CCCCOc1ccccc1C(=O)Oc1ccc2c(c1)OC(N)=C(C#N)[C@H]2c1cccc([N+](=O)[O-])c1 38654218 SNHSELKYMJROIS-VWLOTQADSA-N 485.496 5.211 50 10 JKGE Cc1ccc(-c2ccc([C@H]3C(C#N)=C(N)N4C(=C3C#N)Sc3ccccc34)o2)c([N+](=O)[O-])c1 39794228 NUCVECHNWGXLHG-QFIPXVFZSA-N 453.483 5.302 50 10 JKGE O=C(NNc1ncnc(Nc2cc(Cl)ccc2Cl)c1[N+](=O)[O-])c1cccc2ccccc12 40646587 DEXNMZXLZURRIH-UHFFFAOYSA-N 469.288 5.345 50 10 JKGE Cc1c(C(=O)Oc2ccc(Cl)cc2Cl)oc2c1/C(=N/NC(=O)c1cccc(Cl)c1)CCC2 40813370 ZLPISFMQFBWWLI-WPWMEQJKSA-N 491.758 6.238 50 10 JKGE Cc1ccc(NC(=O)c2oc3c(c2C)/C(=N/NC(=O)Cc2coc4c(C)c(C)ccc24)CCC3)nc1 40826781 TUSHGSFZAXOUPL-NJZRLIGZSA-N 484.556 5.306 50 10 JKGE COc1cccc(/C=C(/C#N)C(=O)Nc2ccc(Cl)c(Cl)c2)c1OCc1cccc(Cl)c1 59117464 RSBKOMJHTCIJBD-BOPFTXTBSA-N 487.770 6.780 50 10 JKGE Cc1ccc(-c2ccccc2)n1-c1ccc(C(=O)N/N=C/c2ccc(Cl)c([N+](=O)[O-])c2)cc1 59305295 YUKIRAMRFAGAIQ-JVWAILMASA-N 458.905 5.778 50 10 JKGE CCOc1ccc2nc(Sc3ccc(/C=N/NC(=O)c4ccccc4Cl)o3)sc2c1 59506475 SSZXOFBGUKWFCI-FSJBWODESA-N 457.964 5.857 50 10 JKGE N#C/C(=C\c1cn(Cc2ccc(Br)cc2)c2ccccc12)C(=O)NC1CCCCC1 59535082 QPFQSNRLOXGMEO-XMHGGMMESA-N 462.391 5.808 50 10 JKGE CCCC(CBr)(CCC)COc1c(Br)cccc1Br 96870423 LFAVYVYMKDOKOM-UHFFFAOYSA-N 457.044 6.572 50 10 JKGE ClCCc1nc2cc(I)ccc2n1Cc1ccc(Br)s1 97355194 BBWMCQZEMVQDEW-UHFFFAOYSA-N 481.584 5.295 50 10 JKGE CCC[C@H](Cl)[C@H](CC)COC(=O)c1ccccc1C(=O)OC[C@@H](CC)C[C@H](Cl)CC 100281853 BQQJWMBDFUILPD-JYLXEMOASA-N 459.454 6.868 50 10 JKGE Cc1ccc(N2C(=O)[C@H](Cc3cccc(Cl)c3)S/C2=C(/C#N)C(=O)NCc2ccco2)cc1C 101242654 QBFIXXSEVHEOCI-YDYXIROLSA-N 492.000 5.293 50 10 JKGE Cc1ccc(N2C(c3ccc4c(c3)OCCO4)=CS/C2=C(\C#N)c2nc3ccccc3s2)cc1 102924907 RJYIGVDMEXZMFV-NHFJDJAPSA-N 481.602 6.820 50 10 JKGE CCCCOc1ccc(/C=C(/C#N)C(=O)Nc2ncc(Cc3cccc(Cl)c3Cl)s2)cc1 102958443 LXVWSGSOQDSZBA-PDGQHHTCSA-N 486.424 6.765 50 10 JKGE N#C/C(C(=O)N1CCCC1)=C(\Nc1ccc(Cl)cc1)SCC(=O)Nc1ccc2ccccc2c1 105806184 OVZQXQVFWLLWDL-BZZOAKBMSA-N 491.016 5.635 50 10 JKGE CCOc1ccc(Br)cc1[C@H](Br)c1ccc(Br)s1 109871583 LWBZVSKAGSNBRL-ZDUSSCGKSA-N 455.009 6.156 50 10 JKGE Fc1cc(Br)cc(F)c1[C@@H](Cl)c1cc(Br)sc1Br 122326311 KBZSKPHPAXBPND-JTQLQIEISA-N 481.381 6.642 50 10 JKGE O=C(NCc1cccc(CBr)c1)c1cc(Br)c(Br)s1 123950906 ZVOAPTFWTPZPHP-UHFFFAOYSA-N 468.008 5.098 50 10 JKGE COc1ccc(Br)cc1[C@@H](Br)c1cc(C)c(Br)s1 126034845 ZKKNSHMSRHDOJD-GFCCVEGCSA-N 455.009 6.074 50 10 JKGE CCCCCOc1ccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)/C=C\c4ccccc4)ccc32)cc1 205660651 LEVPIQJLQTYEDI-DIFPTGOTSA-N 480.564 6.093 50 10 JKGE CC[C@@H](C)N1C(=O)C(C#N)=C(C)/C(=C/c2cn(-c3ccccc3)nc2-c2ccc(OC(C)C)cc2)C1=O 214258501 GZPQOOOVWNMHHG-WWAUWJAYSA-N 494.595 5.717 50 10 JKGE COc1ccc([C@H](Br)c2cc(Br)ccc2C)c(OC)c1Br 224860038 YQSLGXVCRSMMSF-AWEZNQCLSA-N 479.006 6.022 50 10 JKGE Clc1cc([C@H](Br)c2ccc3c(c2)CCCC3)ccc1I 232342529 ZHLMPUWIWBIARC-QGZVFWFLSA-N 461.568 6.308 50 10 JKGE COc1cc(F)c(Br)cc1[C@H](Br)c1ccc(Br)cc1C 234913679 XXRHIAZHKWMGHS-OAHLLOKOSA-N 466.970 6.152 50 10 JKGE COc1ccc([C@H](Br)c2cc(Cl)sc2Cl)c(OC)c1Br 234994660 FXFBZEFGIWWETR-JTQLQIEISA-N 461.002 6.319 50 10 JKGE Cc1cc(Cl)c([C@@H](Br)c2cc(Br)cc(Br)c2)cc1C 235839070 UDPZOBBSWIEOLE-HNNXBMFYSA-N 467.426 6.966 50 10 JKGE N#Cc1ccccc1COc1ccc2ccccc2c1C=NNC(=O)c1cc2cc([N+](=O)[O-])ccc2o1 254306859 IASQBQWWLZAXDR-UHFFFAOYSA-N 490.475 5.709 50 10 JKGE O=C(CSCc1ccccc1Br)NN=Cc1ccc(OCc2ccccc2)cc1 254385042 DFWYYNMXPTYARD-UHFFFAOYSA-N 469.404 5.412 50 10 JKGE CSc1ccc(C=NNC(=O)CSc2nnc(-c3ccc(C)cc3)n2-c2ccc(C)cc2)cc1 254525194 CJBXSZGKZNYMDP-UHFFFAOYSA-N 487.654 5.515 50 10 JKGE CCOc1ccc(OC)cc1C=NNC(=O)[C@H](CC)Oc1ccc2ccccc2c1Br 254855424 NHHQENMBMZWXLJ-FQEVSTJZSA-N 485.378 5.317 50 10 JKGE CCCO[C@@H]1[C@H](Cl)C[C@H]1Oc1c(Br)cc(Br)cc1Br 300473309 PFRADKDKURBXNK-NQBHXWOUSA-N 477.418 5.528 50 10 JKGE CCc1cc(C)sc1[C@@H](Br)c1ccc(Br)cc1Br 381192190 YEMHFPAFHOLGRZ-ZDUSSCGKSA-N 453.037 6.628 50 10 JKGE O=C(OCc1ccccc1)N1C[C@@H](CBr)[C@@H](c2cccc(Br)c2)C1 382682929 FJIDJLLSVOCUQF-SJLPKXTDSA-N 453.174 5.196 50 10 JKGE O=C(OCc1ccccc1)N1C[C@@H](CI)[C@H](c2ccc(Cl)cc2Cl)C1 394512503 FMYBWFRJRHKVIK-RHSMWYFYSA-N 490.168 5.781 50 10 JKGE Cc1ccc(Br)c([C@@H](Br)c2cc(Cl)c(Cl)c(Cl)c2Cl)c1 404655560 NFMPCVBHAAWVOT-LLVKDONJSA-N 477.838 7.855 50 10 JKGE Cc1cccc(N2CCN(C(=O)Nc3cccc(C(=O)Nc4ccc(SC#N)cc4)c3)CC2)c1C 586668625 UAUITVFJIAOCLN-UHFFFAOYSA-N 485.613 5.483 50 10 JKGE CC(C)(C)[Si](C)(C)OCCc1ccc([C@H]2CN(CCO[Si](C)(C)C(C)(C)C)CCCO2)cc1 616599540 WRNKCMRDWVGPSJ-RUZDIDTESA-N 493.881 7.036 50 10 JKGE Fc1ccc([C@H](Cl)c2scc(Br)c2Br)cc1Br 705421010 VUXQFINJZFZUPM-JTQLQIEISA-N 463.391 6.503 50 10 JKGE O=C(NC1(CCl)CCCCCC1)c1cc(I)ccc1Br 713490037 LJEKMKCOJGEWLA-UHFFFAOYSA-N 470.576 5.115 50 10 JKGE FC1(F)CCC[C@H]1C[C@H](Br)c1cc(Br)sc1Br 713931100 NNIRTXSUSGMXHC-XPUUQOCRSA-N 452.984 6.535 50 10 JKGE Cl[C@@H](c1ccc(I)c(Br)c1)c1ccc(Br)s1 721590447 XWZRPEUNXVHAJJ-NSHDSACASA-N 492.401 6.206 50 10 JKGE Cc1cc(C)c(C)c([C@@H](Cl)c2ccc(I)c(Br)c2)c1C 721606780 ARJRQYRKDYGSFV-KRWDZBQOSA-N 463.584 6.616 50 10 JKGE O=C(OCc1ccccc1)N1C[C@@H](CBr)[C@H](c2cc(C(F)(F)F)ccc2F)C1 725432830 VAINANLUUWETNY-RHSMWYFYSA-N 460.265 5.592 50 10 JKGE COc1ccc(C(=O)N/N=C(\C)c2ccc3c(c2)[C@H]2C=CC[C@H]2[C@@H](c2ccccc2)N3)cc1OC 1073602544 CAZZKCDHLCNPCX-JFVQDCRKSA-N 467.569 5.684 50 10 JKGE N#C/C(=C\c1cc(Cl)c(OCC(=O)O)c(Cl)c1)C(=O)Nc1cccc(Cl)c1Cl 1084013987 UZPLHQRXKKLRDW-ONNFQVAWSA-N 460.100 5.309 50 10 JKGE Cc1cc(-c2ccc(C=NNC(=O)c3cc4cc(Br)ccc4o3)o2)cc([N+](=O)[O-])c1C 1084210811 HMKDAGUOUHFJLP-UHFFFAOYSA-N 482.290 5.744 50 10 JKGE Cc1c(Cl)cccc1-c1ccc(C=NNC(=O)Cn2c3ccccc3c(=O)c3ccccc32)o1 1084216002 GACORMDZQAHPOA-UHFFFAOYSA-N 469.928 5.527 50 10 JKGE CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(C)cc2)ccc1OCc1c(Cl)cccc1Cl 1084460851 HJFAOJGOFURLKU-CPNJWEJPSA-N 481.379 6.825 50 10 JKGE Cc1c(C=NNC(=O)CC[C@H](O)c2ccccc2)c2ccccc2n1Cc1ccc(Cl)cc1 1084474293 QZGKGNPRMMRSCP-SANMLTNESA-N 459.977 5.615 50 10 JKGE CCOc1cc(C=NNC(=O)CC[C@@H](O)c2ccccc2)ccc1OCc1ccc2ccccc2c1 1084563422 SFNAZCBYPZSQFZ-HHHXNRCGSA-N 482.580 5.781 50 10 JKGE COc1ccc(/C(C#N)=C/c2cccc(OC(=O)CC(c3ccccc3)c3ccccc3)c2)cc1OC 1615066750 MJGIZKMNPAHYRR-OVVQPSECSA-N 489.571 6.896 50 10 JKGE Cc1c(Cl)cccc1NC(=O)c1oc2c(c1C)C(=NNC(=O)c1ccccc1Cl)CCC2 1772744545 WLOJYCYIMKLKIY-UHFFFAOYSA-N 470.356 5.926 50 10 JKGE CCN(C(=O)c1oc2c(c1C)C(=NNC(=O)c1cccc3ccccc13)CCC2)c1ccccc1 1772746937 BPCVQULFFFUKMR-UHFFFAOYSA-N 465.553 5.878 50 10 JKGE CC[C@H](Cl)C(=O)O[C@H]1CC[C@@]2(C)C(=CC[C@@H]3[C@@H]2CC[C@]2(C)[C@H]([C@@H](C)CCCC(C)C)CC[C@@H]32)C1 1848665328 AYVNXDFYJLGZKZ-AMXTVBBLSA-N 491.200 8.957 50 10 JKGE Cc1csc2nc(Cl)c(/C=N\NC(=O)c3ccc(-c4ccc5ccccc5c4)s3)n12 1860773914 JQVMRLGEKHUUFN-MYKKPKGFSA-N 450.976 6.003 50 10 JKGE N#CC1=C(N)Oc2c(c(-c3ccccc3)nn2Cc2ccccc2Cl)[C@@H]1c1ccc(Cl)cc1 1865683298 IKKNFTSLJSEZKJ-JOCHJYFZSA-N 473.363 6.123 50 10 JKGE CN(C)c1ccc([C@@H]2C(C#N)=C(N)Oc3c2c(-c2ccccc2)nn3-c2ccc(Cl)cc2)cc1 1865684126 UIFLHPDAPZBGPK-HSZRJFAPSA-N 467.960 5.477 50 10 JKGE N#CC1=C(N)Oc2c(c(C(F)(F)F)nn2-c2cccc(Cl)c2)[C@H]1c1cccc(Br)c1 1865684712 WIJQCPABBNRCLM-HNNXBMFYSA-N 495.686 5.525 50 10 JKGE Cc1ccc(C)c(Cn2nc(-c3ccccc3)c3c2OC(N)=C(C#N)[C@@H]3c2ccc(C(C)C)cc2)c1 1865685566 KLSXOOXUEYEQGE-MHZLTWQESA-N 474.608 6.557 50 10 JKGE CCCCCOc1ccc([C@@H]2C(C#N)=C(N)Oc3c2c(C)nn3Cc2ccc(Cl)cc2)cc1OC 1865695136 KXGONIRQUQLQSX-RUZDIDTESA-N 493.007 5.689 50 10 JKGE N#CC1=C(N)Oc2c(c(-c3ccccc3)nn2Cc2ccc(Cl)cc2)[C@@H]1c1ccc(F)cc1F 1865702098 MNXBUWLWQLVPLN-JOCHJYFZSA-N 474.898 5.748 50 10 JKGE CCCc1nn(Cc2ccc(Cl)c(Cl)c2)c2c1[C@@H](c1ccc(O)c(OC)c1)C(C#N)=C(N)O2 1865706586 ZXJZHQKPKIKNIH-NRFANRHFSA-N 485.371 5.123 50 10 JKGE COCCc1nc(Nc2ccc(SC#N)cc2)cc(N2C[C@H](C)Cc3cc(OC)ccc32)n1 1868253773 SMSDJZPKILWEQE-QGZVFWFLSA-N 461.591 5.321 50 10 JKGE CCc1nc(Nc2ccc(SC#N)cc2)cc(N2CCC(C(=O)c3ccc(OC)c(C)c3)CC2)n1 1868277610 BSDHYEZDRMKDKF-UHFFFAOYSA-N 487.629 5.772 50 10 JKGE N#CSc1ccc(Nc2cc(N3CCC[C@@H](CO)C3)nc(-c3ccccc3Cl)n2)cc1 1868415258 VXXKBOKTFBVKAE-MRXNPFEDSA-N 451.983 5.322 50 10 JKGE CCCCc1ccc(-c2csc(/C(C#N)=C(\O)[C@@H]3CC(=O)N([C@H](C)c4ccccc4)C3)n2)cc1 1872744874 MLSCTQKRUWYZBP-SGRDSJEPSA-N 471.626 6.555 50 10 JKGE N#C/C(=C(/O)CCCOc1ccc(Br)cc1Cl)c1nc(-c2cccs2)cs1 1872750631 NCTQOCWCSIVNGI-SSZFMOIBSA-N 481.824 6.939 50 10 JKGE CCOc1ccc(OCC)c(-c2csc(/C(C#N)=C(\O)c3cc(OC)c(OC)cc3[N+](=O)[O-])n2)c1 1872754631 BTIGHKYXQJQTFT-QJOMJCCJSA-N 497.529 5.483 50 10 JKGE COc1cc(-c2csc(/C(C#N)=C(\O)c3ccc(F)c(F)c3F)n2)c(OC)cc1Cl 1872756751 ZCCGFCNTGAPDLU-ODLFYWEKSA-N 452.841 5.848 50 10 JKGE CCOc1c(Br)cc(/C=C(\C#N)c2nc(-c3ccc4c(c3)OCO4)cs2)cc1OC 1872792342 SNQWTBWALXUXKH-GIDUJCDVSA-N 485.359 5.773 50 10 JKGE F[C@@H]1C[C@@H]1[C@@H](Br)c1c(Br)sc(Br)c1Br 1884671254 RSKWAPDCVJCVKY-GDGKWOGESA-N 471.809 5.830 50 10 JKGE CCC(CBr)(CBr)Cc1ccc(Cl)cc1I 1901927629 JWOCXHDRRKKLJE-UHFFFAOYSA-N 480.409 5.673 50 10 JKGE Cc1scc([C@H](Br)c2cc(Br)c(Cl)s2)c1Br 1902874673 BNRDAEWWZWPBKW-VIFPVBQESA-N 465.457 6.781 50 10 JKGE CC[C@H](Br)CN(Cc1ccccc1)C(=O)c1cccc(I)c1 1915133940 YZFCLTMQXQKJKK-INIZCTEOSA-N 472.164 5.107 50 10 JKGE Cc1c(Br)sc([C@@H](Br)c2cc(Cl)cc(Cl)c2)c1Br 1922895956 AUYMGHSZLQCZRB-JTQLQIEISA-N 493.873 7.373 50 10 JKGE Cc1c(Br)sc([C@H](Br)[C@@H]2C[C@H]3C[C@H]2[C@H]2C[C@@H]23)c1Br 1922935348 OTPWOJYNCVPTFV-LNTIRVFTSA-N 455.053 6.310 50 10 JKGE CCC1CCC([C@H](Br)c2sc(Br)c(C)c2Br)CC1 1922945364 FQEPYRVTHKAWJT-CBINBANVSA-N 459.085 7.234 50 10 JKGE FC1(F)[C@@H]([C@H](Cl)c2c(Br)sc(Br)c2Cl)C12CCCC2 1923054293 CVDNJGSGYYECED-SVRRBLITSA-N 454.989 7.032 50 10 JKGE C[C@@H]1CCO[C@@H]1[C@@H](Br)c1c(Br)sc(Br)c1Cl 1923068943 ZFGZLGKVDLJCEC-YFEGFQIRSA-N 453.421 5.788 50 10 JKGE Fc1ccc([C@@H](Br)c2c(Cl)sc(Br)c2Cl)c(Cl)c1 1925586653 BPXSIBSXURKOEB-MRVPVSSYSA-N 453.385 7.094 50 10 JKGE Clc1sc(Br)c(Cl)c1[C@@H](Cl)c1ccc(OCc2ccccc2)cc1 1925597253 CIVDILSPSRCISG-HNNXBMFYSA-N 462.623 7.725 50 10 JKGE CC1(C)CC[C@H](Br)[C@H](CNC(=O)c2scc(Br)c2Br)C1 1927053006 VDLSQRHGGMMNCO-IUCAKERBSA-N 488.083 5.593 50 10 JKGE O=S(=O)(c1cc(CCl)sc1Br)N(Cc1ccccc1)CC(F)(F)F 1946814437 HOGVSZRFPPTYSD-UHFFFAOYSA-N 462.740 5.003 50 10 JKGE Fc1cc(Cl)c([C@@H](Br)c2cc(I)sn2)cc1Cl 2024600897 KNPHXGLVKYTRSO-SNVBAGLBSA-N 466.928 5.678 50 10 JKGE COc1sc([C@H](Br)c2cc(C)ccc2Br)cc1Br 2034630365 VLDODEBOVCBISN-GFCCVEGCSA-N 455.009 6.074 50 10 JKGE N#CC(=C(Cl)c1cc(Br)ccc1I)c1cncs1 2035104228 QZXFFUFUXIXBCI-UHFFFAOYSA-N 451.514 5.141 50 10 JKGE COc1ccc(Br)cc1[C@@H](Br)c1sc(Br)cc1C 2038505817 INKQADWFVSPDDN-GFCCVEGCSA-N 455.009 6.074 50 10 JKGE C[C@]1([C@H](Cl)c2c(Br)sc(Br)c2Br)CCCC1(F)F 2048965766 BKXMPPTVMVHGAO-GMSGAONNSA-N 487.429 7.141 50 10 JKGE BrCc1ccc(N2CC[C@H]3CN(Cc4ccccc4)C[C@H]3C2)cc1Br 2049664066 DTBVVBVKOLXFBM-OALUTQOASA-N 464.245 5.302 50 10 JKGE Cc1c(Br)sc([C@H](Br)[C@H]2CCC[C@H]2C(C)C)c1Br 2056447821 KSEGRPIBWWPQMX-JBLDHEPKSA-N 459.085 7.090 50 10 JKGE CC(C)(C)OC(=O)NC[C@](C)(CI)OC[C@@H]1C[C@@H]1C1CCCCCC1 2080295923 BETOVFKWLTVDRK-QKLQHJQFSA-N 465.416 5.328 50 10 JKGE Cc1nc(C[C@@H](Cl)c2cc(I)ccc2Br)sc1C 2085797418 FMKYDMXNJJWRFC-GFCCVEGCSA-N 456.574 5.650 50 10 JKGE Oc1nc2ccc([C@H](Br)c3csc(Br)c3Br)cc2o1 2093942609 WHHIHDZFPJMGHE-VIFPVBQESA-N 467.964 5.604 50 10 JKGE Cc1csc([C@@H](Br)c2scc(C(F)(F)F)c2Br)c1Br 2100814810 NLJUORVVCQDEGR-MRVPVSSYSA-N 499.009 7.146 50 10 JKGE FC1(F)[C@H]2C[C@H](Oc3c(Br)cc(CBr)cc3Br)C[C@H]21 2107519038 MPXFHZZUKOOMAN-PSVAKVPMSA-N 460.938 5.529 50 10 JKGE CN(Cc1cc(Cl)ccc1I)[C@H]1CCCCC[C@@H]1Br 2115933841 MWYVESCTFPPVMJ-ZFWWWQNUSA-N 456.593 5.473 50 10 JKGE Cc1cc(Br)c(C)c([C@H](Br)[C@@H]2C[C@@H](C)O[C@@H]2C)c1Br 2136368104 UZMOUEJWCMCBHM-ORXWAGORSA-N 455.028 6.078 50 10 JKGE COc1cc(Cl)c([C@@H](Br)c2cccc(OCc3ccccc3)c2)cc1Br 2137645660 AHTXWGVWBLEJHV-NRFANRHFSA-N 496.626 7.174 50 10 JKGE COc1cc(F)c([C@@H](Br)c2ccccc2Br)cc1Br 2138162302 SVNGYOQZRJOCPL-AWEZNQCLSA-N 452.943 5.844 50 10 JKGE Cc1c(Br)ccc([C@@H](Br)[C@@H]2CC[C@H]3C[C@H]3CC2)c1Br 2138859114 AGXPCHBMFWHIMY-BUWBCJGYSA-N 451.040 6.782 50 10 JKGE COc1cc([C@@H](Cl)c2ccc(Br)cc2Br)ccc1Br 2138859546 BZHVVHIKCGLHLH-CQSZACIVSA-N 469.398 6.311 50 10 JKGE CC(C)(C)[C@@H](C[C@@H](Br)c1ccc(Br)cc1Br)C(F)F 2138871416 FTHLBIJVDOSAQD-CMPLNLGQSA-N 462.998 6.965 50 10 JKGE Clc1cc(CN2CC[C@@H]3C[C@H](Br)CC[C@H]32)ccc1I 2142948821 DVBIXWZEYWARIF-LALPHHSUSA-N 454.577 5.083 50 10 JKGE CCCCCCCCCC[C@@H](Cl)c1c(Br)sc(Br)c1Cl 2164487065 JAOXSROUQDESTJ-LLVKDONJSA-N 465.122 8.737 50 10 JKGE CC(C)(C)NCc1cc(Br)c(OC[C@H]2C[C@@H]2Br)c(Br)c1 2196907797 TURPSLKYICZODS-MNOVXSKESA-N 470.043 5.262 50 10 JKGE COc1c(Cl)cc(Br)cc1[C@H](Br)c1c(Br)nn(C)c1C 2203004336 YGSSHOPKKKYFHM-NSHDSACASA-N 487.417 5.400 50 10 JKGE COc1ccccc1C[C@@H](Br)c1ccc(Br)c(C)c1Br 2203687789 RFRRTAYIKQXWIQ-CQSZACIVSA-N 463.007 6.207 50 10 JKGE COc1c(Br)cc(C)cc1[C@H](Br)c1ccc(Br)cc1F 2203829121 IICQAHAFCCOKGS-CQSZACIVSA-N 466.970 6.152 50 10 JKGE Cc1cc(Br)c([C@H](Br)c2coc(Br)c2)c(C)c1Cl 2217619429 YOPDCQBJHAEBPE-GFCCVEGCSA-N 457.387 6.559 50 10 JKGE Brc1cc(Br)c([C@@H](Br)[C@H]2C[C@H]3CCC[C@H](C3)C2)s1 2218351339 ORFGEDMAOHKTGH-WJZNIJOASA-N 457.069 6.926 50 10 JKGE ClCc1nc2cc(Br)c(Br)cc2n1C[C@H]1CCN1Cc1ccccc1 2218648810 LNNZZSPSAIWGBA-CQSZACIVSA-N 483.635 5.575 50 10 JKGE Clc1cc(Cl)cc(C[C@H](Br)c2cc(Br)cc(Br)c2)c1 2232136607 VGXMVFSKYFCHQY-AWEZNQCLSA-N 487.844 7.197 50 10 JKGE Cc1c([C@H](Br)c2c(F)cc(F)c(Br)c2F)nn(C)c1Br 2236113046 YOQOVKASKBCKRH-SECBINFHSA-N 476.916 5.155 50 10 JKGE Cc1ccc(I)c([C@@H](Cl)c2c(F)cc(F)c(Br)c2F)c1 2240996734 LTIZXRHAKQAVFT-CYBMUJFWSA-N 475.473 6.108 50 10 JKGE CC1CCC(CO[C@]2(CI)CCCN(C(=O)OC(C)(C)C)C2)CC1 2250266605 WJWDKZPLOWRBGC-RJYAGPCLSA-N 451.389 5.034 50 10 JKGE CS(=O)(=O)c1cscc1[C@@H](Br)c1sc(Br)cc1Br 2260091773 LWLUFHAGGUDNMC-SECBINFHSA-N 495.077 5.222 50 10 JKGE C[C@@H](C(F)(F)F)C(CBr)(CBr)c1ccccc1Br 2263896718 PQUAKNFGEMCNPX-MRVPVSSYSA-N 452.934 5.675 50 10 JKGE COc1cc(Cl)c(Cl)cc1[C@H](Br)c1ccccc1I 2264368707 MQNLOIUXTXBMBZ-CQSZACIVSA-N 471.947 6.091 50 10 JKGE Fc1cc([C@@H](Br)Cc2ccncc2Br)c(F)cc1Br 2267217473 IAYICNHYACQSIB-VIFPVBQESA-N 455.922 5.564 50 10 JKGE COc1ccc([C@H](Br)c2cc(Br)sc2C)c(Br)c1Cl 2268268829 VSFYTNHPFGMGLY-NSHDSACASA-N 489.454 6.728 50 10 JKGE COc1c([C@@H](Br)c2sccc2Br)cc(Br)c(C)c1C 2269169625 UBEVYLXRUOETSK-GFCCVEGCSA-N 469.036 6.383 50 10 JKGE COc1ccc([C@@H](Br)c2ccc(F)c(Br)c2)cc1I 2269547978 VSMXALYJDZKNOA-AWEZNQCLSA-N 499.943 5.686 50 10 JKGE Clc1ccc(I)cc1O[C@H]1C[C@H](Br)C12CCCCC2 2272639368 OZZLSCSIOKNCHI-KBPBESRZSA-N 455.561 5.810 50 10 JKGE CC(F)(F)[C@@H]1C[C@@H]1[C@H](Br)c1c(F)cc(Br)c(F)c1Br 2272842782 QRMPWCDMXBSMSO-ZDEZVYLVSA-N 468.908 6.217 50 10 JKGE FC1(F)[C@H]2C[C@H]([C@H](Br)Cc3cc(Br)cc(Br)c3)C[C@H]21 2277966779 VTSGUPXWWPOKHX-WRSRJMLGSA-N 458.966 5.809 50 10 JKGE COc1ccc([C@H](Br)[C@@H]2C(F)(F)C23CCCC3)cc1I 2284998338 QQQWKAHFFNFMQD-STQMWFEESA-N 457.096 5.561 50 10 JKGE COc1ccc([C@@H](Br)[C@@H]2CC(C)(C)OC2(C)C)cc1I 2285010512 QZZLZQKBHKHWQU-SMDDNHRTSA-N 453.158 5.330 50 10 JKGE Cn1nc([C@@H](Cl)c2c(F)cc(Br)c(F)c2Br)c(Cl)c1Cl 2288348893 JURAXUBBNRDQKN-ZETCQYMHSA-N 469.338 5.858 50 10 JKGE COc1ccc(C=C(C#N)C(=O)Nc2ncc(Cc3cccc(Cl)c3Cl)s2)cc1OC 2293038779 ZBFQPZDYMGSADC-UHFFFAOYSA-N 474.369 5.604 50 10 JKGE COc1cc(C=C(C#N)c2nc3ccccc3s2)ccc1OCc1c(F)cccc1Cl 2293128203 SAZMMZBCVGUIKG-UHFFFAOYSA-N 450.922 6.741 50 10 JKGE C=CCc1ccc(OCCOc2cccc(C=C(C#N)C(=O)Nc3ccc(C)cc3)c2)c(OC)c1 2293345682 BRTUGFRESNETLL-UHFFFAOYSA-N 468.553 5.736 50 10 JKGE COc1ccc([C@@H](Br)Cc2cc(Br)cc(Br)c2)c(F)c1 2295265160 NSOILCMXBXKWIA-AWEZNQCLSA-N 466.970 6.038 50 10 JKGE CCOc1ccc(NC(=O)C(C#N)=Cc2c(Oc3cc(C)cc(C)c3)nc3c(C)cccn3c2=O)cc1 2296543648 UQZNOYQAYLCITF-UHFFFAOYSA-N 494.551 5.356 50 10 JKGE CCc1ccc(NC(SCc2ccc(Cl)cc2)=C(C#N)C(=O)NCc2ccco2)cc1 2297414545 HLEUFUZLHBZQRN-UHFFFAOYSA-N 451.979 5.892 50 10 JKGE Cc1ccc(OCCOc2ccc(C=C(C#N)C(=O)Nc3nc4ccccc4s3)cc2)c(C)c1 2297500316 ZMRGPNFFYQKFAV-UHFFFAOYSA-N 469.566 5.917 50 10 JKGE C[C@@H](c1ccccc1)[C@H](Br)c1ccc(OCc2ccccc2)cc1Br 2314442174 DXEBKUSGIKSRDP-AOMKIAJQSA-N 460.209 7.268 50 10 JKGE CCc1ccccc1[C@@H](Br)c1cc(Br)ccc1OCc1ccccc1 2314450165 WRHMHRMNCSKMDY-JOCHJYFZSA-N 460.209 7.075 50 10 JKGE N#CC(=Cc1ccc(N2N=C(c3ccccc3)C[C@@H]2c2ccccc2)cc1)c1[nH][nH]c(=N)c1C#N 2314482292 GILSZWQPYHYMGD-AREMUKBSSA-N 455.525 5.114 50 10 JKGE Fc1ccc([C@H](Br)c2cc(Br)ccc2OCc2ccccc2)c(F)c1 2314487324 GQFYUHCDXIWNPM-FQEVSTJZSA-N 468.135 6.791 50 10 JKGE CC1=C(C#N)C(=O)N(CCCOC(C)C)C(=O)C1=Cc1cn(-c2ccccc2)nc1-c1ccc(F)cc1 2314618869 VUPAIVHKBBHXMJ-UHFFFAOYSA-N 498.558 5.086 50 10 JKGE C[C@@H](C1CCC1)[C@H](Br)c1c(Cl)cc(Br)c(F)c1Br 2315439243 BUKCZNIPCUKCDV-KGFZYKRKSA-N 463.410 6.876 50 10 JKGE Cn1cnc(Br)c1[C@H](Cl)Cc1cc(Br)cc(Br)c1 2315633197 KGCZJBWZBPUPQT-SNVBAGLBSA-N 457.391 5.230 50 10 JKGE Brc1cc(Br)c([C@H](Br)[C@@H]2C[C@H]3CCC[C@H]2CC3)s1 2316789647 FBIKUEOQYSOTHE-QISWUMQESA-N 457.069 6.926 50 10 JKGE N#CSc1ccc(NC(=O)C2CCN(C(=O)C=Cc3cccc(OCc4ccccc4)c3)CC2)cc1 2322037334 RENLWAABFGKNIV-UHFFFAOYSA-N 497.620 5.729 50 10 JKGE CC(=O)Nc1ccc(CC(O)=C(C#N)c2nc(-c3ccc(Br)cc3)cs2)cc1 2331260308 UPMKORIVJHBPLH-UHFFFAOYSA-N 454.349 5.566 50 10 JKGE Cc1cc(-c2csc(C(C#N)=C(O)CCCOc3ccc(Cl)cc3Cl)n2)ccc1F 2331322467 AVICESIHRUXBBL-UHFFFAOYSA-N 463.361 7.216 50 10 JKGE CCc1cccc(C)c1N1C[C@H](C(O)=C(C#N)c2nc(-c3ccc4c(c3)OCO4)cs2)CC1=O 2331335896 WIUDPHIPBKQUNF-GOSISDBHSA-N 473.554 5.255 50 10 JKGE COc1ccc(-c2csc(C(C#N)=C(O)CCCOc3ccc4ccccc4c3)n2)c(C)c1C 2331362140 AWXZZYHNNLFGGL-UHFFFAOYSA-N 470.594 7.241 50 10 JKGE CCOc1ccc(OCC)c(-c2csc(C(C#N)=C(O)C=Cc3ccc(Cl)cc3)n2)c1 2331376414 BJROFJHEAYVRNJ-UHFFFAOYSA-N 452.963 6.767 50 10 JKGE CCCCCOc1ccc(C=C(C#N)c2nc(-c3ccc([N+](=O)[O-])cc3)cs2)cc1OCC 2331432556 HIBZRXDDHHUOLL-UHFFFAOYSA-N 463.559 6.750 50 10 JKGE Brc1cc(OCc2ccccc2)ccc1[C@H](Br)[C@H]1CCn2ncnc2C1 2336048001 QHUNFEYPJYIDSP-MGPUTAFESA-N 477.200 5.318 50 10 JKGE Fc1c(Br)cc(Cl)c([C@H](Br)C23COCC(C2)C3)c1Br 2337089066 TWMSCFTZJUENBV-BZCBFNEHSA-N 477.393 5.867 50 10 JKGE CCCc1sc(Br)cc1[C@H](Br)c1cc(Br)ccc1F 2338023944 NKCIHPSOVPKIEO-CQSZACIVSA-N 471.027 6.849 50 10 JKGE CCC1CC([C@@H](Br)c2c(C)cc(Br)c(OC)c2Br)C1 2339657460 YEQQHXQVIRBLOD-SRHKJQAYSA-N 455.028 6.401 50 10 JKGE COc1c(Br)cc(C)c([C@@H](Cl)c2sncc2Br)c1Br 2339684875 PLUHUUPVENSYBZ-SNVBAGLBSA-N 490.442 6.076 50 10 JKGE CCN(C[C@@](C)(CI)OCCC1CCCCCCC1)C(=O)OC(C)(C)C 2342139297 SXNNPGFEGJGYKX-OAQYLSRUSA-N 481.459 6.204 50 10 JKGE Fc1c(Br)cc(Cl)c([C@@H](Br)C2CC3(CCOC3)C2)c1Br 2362222023 ADMBVUMSEHKEDY-XXCWSLKQSA-N 491.420 6.257 50 10 JKGE COc1c(Br)cc(C)c([C@H](Br)[C@@H]2CCCOCC2)c1Br 2365191444 NZEYLNIQAGQHNA-ZWNOBZJWSA-N 471.027 5.781 50 10 JKGE Cc1cc(Br)c(F)c(Br)c1[C@H](Cl)c1cc(Cl)ccc1Cl 2365223340 MGTXCPBCZKPKGC-CYBMUJFWSA-N 461.383 7.294 50 10 JKGE Cc1cc(CCl)c(OCc2cc(I)ccc2Br)nc1C 2367271532 OZGUSPWCQXPYDF-UHFFFAOYSA-N 466.544 5.383 50 10 JKGE Cc1ccc(CBr)c(OCc2c(F)cccc2Br)c1Br 2380681142 WFOYLFOHLWLKDQ-UHFFFAOYSA-N 466.970 6.133 50 10 JKGE N#C/C(=C/c1ccc(OC(=O)c2cccc3ccccc23)cc1)C(=O)Nc1cc(Cl)cc(Cl)c1 3232220 JGQXWMRGSWOQQS-UNOMPAQXSA-N 487.342 6.911 50 10 JKGE Cc1ccc(/C=N/N(C(=O)c2cccc(N3C(=O)CCC3=O)c2)c2nc3ccc(C)cc3s2)cc1 9149399 DRZKJAGBWQPKLP-LQKURTRISA-N 482.565 5.247 50 10 JKGE CCCCCCOc1ccc(C(=O)NNC(=S)NC(=O)c2ccccc2OCCCCCC)cc1 14033112 CNWDVZMWALQMHM-UHFFFAOYSA-N 499.677 5.554 50 10 JKGE N#C/C(=C/c1ccccc1Br)c1ccc(/C(C#N)=C\c2ccccc2Br)cc1 33771004 IKILYVNJZFEPMG-JZTLMNBPSA-N 490.198 7.340 50 10 JKGE COc1cc(/C=C(/C#N)C(=O)NC2CCCCC2)ccc1OCc1ccc(Cl)cc1Cl 33826598 LRVNOJGKVRLFFQ-WQRHYEAKSA-N 459.373 5.937 50 10 JKGE COc1ccccc1OCC(=O)Oc1ccc2c(c1)OC(N)=C(C#N)[C@H]2c1ccc(C(C)C)cc1 38649419 GOGGXXCWYCCGMZ-MHZLTWQESA-N 470.525 5.021 50 10 JKGE C[C@@H](Oc1ccc(F)cc1)C(=O)Oc1ccc2c(c1)OC(N)=C(C#N)[C@@H]2c1ccc(C(C)(C)C)cc1 38649805 CNRYWLZCXOFBAW-WGDIFIGCSA-N 486.543 5.714 50 10 JKGE C=CCOc1ccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4ccc(C(C)(C)C)cc4)ccc32)cc1 38658000 OTKSMRYUYLOSHJ-HHHXNRCGSA-N 480.564 5.986 50 10 JKGE CCCCOc1cccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)COc4ccc(F)cc4)ccc32)c1 38685089 QXNYTZIWYRNBRS-HHHXNRCGSA-N 488.515 5.207 50 10 JKGE Cc1ccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4sc5ccccc5c4Cl)ccc32)o1 38688658 VTHCOZKRWCOTEK-FQEVSTJZSA-N 462.914 5.894 50 10 JKGE Cc1c(C(=O)N(C)Cc2ccccc2)oc2c1/C(=N/NC(=O)c1ccccc1Br)CCC2 40812933 HGKPUYPBLLSZEK-NHFJDJAPSA-N 494.389 5.093 50 10 JKGE Cc1cccc(NC(=O)c2oc3c(c2C)/C(=N/NC(=O)c2ccc4ccccc4n2)CCC3)c1 40825882 VAPKSIAAVXEUAO-MWAVMZGNSA-N 452.514 5.167 50 10 JKGE CCCCOc1ccc(/C=N/NC(=O)CCCOc2ccc(CC)cc2Br)cc1OC 40959387 YZGQVTLTKKMVGB-YZSQISJMSA-N 491.426 5.508 50 10 JKGE N#C/C(=C/c1c(Br)cc(Br)c(O)c1Br)c1nc2ccccc2[nH]1 50741895 GMWVAQALHULSBB-YVMONPNESA-N 497.972 5.620 50 10 JKGE N#C/C(=C\c1ccccc1OCc1ccc2c(c1)OCO2)C(=O)Nc1cccc(Cl)c1Cl 59336576 MPBDLXDYGNHMAS-GZTJUZNOSA-N 467.308 5.847 50 10 JKGE CCCCCCCCCCCCCCCCCCNC(=S)N[C@H]1CS(=O)(=O)C[C@@H]1Cl 59568217 VQNRDDDMHSZYAC-VXKWHMMOSA-N 481.212 6.116 50 10 JKGE Fc1cc([C@H](Br)Cc2cccc(Br)c2)c(F)cc1Br 70474548 WTZCYEWGHUEGQH-LLVKDONJSA-N 454.934 6.169 50 10 JKGE CC1=C(C#N)C(=O)N(Cc2ccc(F)cc2)C(=O)/C1=C/c1ccc(-c2cccc(Cl)c2Cl)o1 101340585 XXPBZLGEDPLTQT-YBFXNURJSA-N 481.310 6.185 50 10 JKGE N#C/C(=C/c1ccc(OCc2ccccc2Cl)c(Br)c1)C(=O)Nc1ccc(O)cc1 101512550 LEZDEAVAZZZTEI-BOPFTXTBSA-N 483.749 5.933 50 10 JKGE CC(=O)c1cc2c(cc1N/C=C(/C#N)c1nc(-c3cccc(Br)c3)cs1)OCO2 102418687 UZNFGASYMRWZOT-ZROIWOOFSA-N 468.332 5.480 50 10 JKGE FC(F)Oc1ccc([C@@H](Br)c2cc(Br)ccc2Br)cc1 109844325 IYUAMDHSDODFBC-CYBMUJFWSA-N 470.933 6.297 50 10 JKGE COc1ccc([C@@H](Br)c2cc(C)c(Br)s2)c(Br)c1 126056342 INBCOXCVTGOQPU-GFCCVEGCSA-N 455.009 6.074 50 10 JKGE COc1cc([C@@H](Br)c2cc(Br)ccc2Cl)c(OC)cc1Br 134296071 RAKSIPQLSWJTQT-HNNXBMFYSA-N 499.424 6.367 50 10 JKGE CC(C)(C)[Si](C)(C)O[C@H](CBr)c1ccc(OCc2ccccc2)c2[nH]c(=O)ccc12 196511424 JQJUYDQHSZTDDO-OAQYLSRUSA-N 488.498 6.565 50 10 JKGE COc1cc(/C=C(/C#N)C(=O)Nc2sc3c(c2C#N)CCCC3)ccc1OCc1ccc(C)cc1 209661142 LPAKPSQRCMQFCB-BKUYFWCQSA-N 483.593 5.940 50 10 JKGE CCOc1ccc([C@@H](Br)c2c(F)cc(Br)cc2F)cc1Br 228994863 NDWFVKNUNNXRHN-OAHLLOKOSA-N 484.960 6.373 50 10 JKGE CCOc1ccc(C)cc1[C@H](Cl)c1cc(Br)ccc1I 233782783 OLHNRURQHLWSBZ-MRXNPFEDSA-N 465.556 6.089 50 10 JKGE CC[C@@H](C)c1ccc(-c2cc(C(=O)NN=Cc3ccc(OCC(C)C)cc3)c3ccccc3n2)cc1 252628239 SLMYABQFSNCART-JOCHJYFZSA-N 479.624 7.214 50 10 JKGE COc1cc(Br)c(C=NNC(=O)c2cc3c(ccc4ccccc43)o2)cc1OC 254766719 QCPDXEMDQFPAGL-UHFFFAOYSA-N 453.292 5.130 50 10 JKGE Fc1c(Cl)cccc1[C@@H](Br)c1scc(C(F)(F)F)c1Br 312443680 XJCOTONJXILTMU-MRVPVSSYSA-N 452.492 6.806 50 10 JKGE CC(C)n1ccc(COc2c(Br)cc(Br)cc2CBr)n1 312645200 JZAOWXLHDMMOGC-UHFFFAOYSA-N 466.999 5.463 50 10 JKGE Cc1c(Br)cccc1[C@H]1CN(C(=O)OCc2ccccc2)C[C@H]1CBr 382687764 IFGVPXNHCYFAOL-AEFFLSMTSA-N 467.201 5.505 50 10 JKGE Fc1cc2c(cc1I)nc(CCl)n2C[C@H]1CCCN1Cc1ccccc1 390465360 AFVMNMHVMSUIAJ-OAHLLOKOSA-N 483.756 5.183 50 10 JKGE Cc1cccc([C@@H](Br)c2c(F)c(F)cc(F)c2F)c1I 396089054 NWMTUUCCVVVNGA-LLVKDONJSA-N 459.018 5.640 50 10 JKGE Fc1cc(Br)c([C@H](Cl)c2cccc(I)c2)c(F)c1F 398531808 SDGFDYMGBAPHSG-LLVKDONJSA-N 461.446 5.799 50 10 JKGE CN(C(=O)OC(C)(C)C)c1cccc([C@H]2COCCN2CCO[Si](C)(C)C(C)(C)C)c1 616603567 YBFFTACHUSLVIW-OAQYLSRUSA-N 450.696 5.453 50 10 JKGE CC(C)(C)[Si](C)(C)OCCN1CCC[C@@H](c2ccccc2CO[Si](C)(C)C(C)(C)C)C1 616621812 ZJXWUDFJOYHNKU-JOCHJYFZSA-N 463.855 7.410 50 10 JKGE O=[N+]([O-])c1ccc(Br)cc1Oc1ccc(Br)cc1CBr 703802855 FMNNIHKZGCSTAU-UHFFFAOYSA-N 465.923 5.807 50 10 JKGE CN(C(=O)c1scc(Br)c1Br)[C@@H]1CCCC[C@H]1Br 705408969 KLGNJXBFEQLIGM-VXNVDRBHSA-N 460.029 5.051 50 10 JKGE Clc1ccc([C@@H](Br)c2scc(Br)c2Br)c2ccccc12 705461894 CWBFCAYLPVCDBO-CYBMUJFWSA-N 495.461 7.564 50 10 JKGE C[C@@H](Cl)C[C@@H]1CCCCN1C(=O)c1ccc(I)c(Br)c1 721571747 JALBHDLNESJCOC-PWSUYJOCSA-N 470.576 5.066 50 10 JKGE CCOc1ccc([C@H](O)CCC(=O)NN=Cc2ccc(-c3ccc(C)cc3Br)o2)cc1 1084004741 DAVGVOSZHGLRMC-JOCHJYFZSA-N 485.378 5.380 50 10 JKGE COc1cc(C=NNC(=O)c2cc3cc(Br)ccc3o2)ccc1OCc1ccccc1F 1084393466 FVKFWUGYUUTICZ-UHFFFAOYSA-N 497.320 5.686 50 10 JKGE Cc1ccc(NC(=O)/C(C#N)=C\c2cn(Cc3ccc(Cl)c(Cl)c3)c3ccccc23)cc1C 1084397188 SPGCIDLQZMTJSP-MOSHPQCFSA-N 474.391 7.159 50 10 JKGE CCOc1ccc([C@H](O)CCC(=O)NN=Cc2ccc(OCc3cccc(F)c3)c(OCC)c2)cc1 1084423075 DVIDHPMJAOZVCT-RUZDIDTESA-N 494.563 5.166 50 10 JKGE COc1ccc(/C(C#N)=C/c2ccc(OC(=O)c3cccc(Br)c3)cc2)cc1OC 1615099394 SUKGMRIUQRHFHW-XDHOZWIPSA-N 464.315 5.750 50 10 JKGE COc1cc(C=NNC(=O)COc2ccc(-c3ccccc3)cc2)ccc1OCc1ccccc1C 1772753711 DOMZXUXSFNEGKJ-UHFFFAOYSA-N 480.564 5.779 50 10 JKGE O=C(CCCC[C@H]1CCSS1)N1CCN([C@H](c2ccccc2)c2ccc(Cl)cc2)CC1 1860191782 DETRTPULHUPDNZ-UKILVPOCSA-N 475.123 6.288 50 10 JKGE COc1ccc(-c2nn(Cc3cccc(F)c3)c3c2[C@H](c2ccccc2Cl)C(C#N)=C(N)O3)cc1 1865686664 YWUBRIIWLNRDSE-HSZRJFAPSA-N 486.934 5.618 50 10 JKGE CCCCOc1ccc([C@@H]2C(C#N)=C(N)Oc3c2c(-c2ccccc2)nn3-c2ccc(Cl)cc2)cc1 1865690416 QQSUSYQTNKCOGW-RUZDIDTESA-N 496.998 6.590 50 10 JKGE CCCCOc1ccc([C@@H]2C(C#N)=C(N)Oc3c2c(C)nn3-c2ccc(Br)cc2)cc1 1865691918 DWOLLNFKZVOEKE-JOCHJYFZSA-N 479.378 5.340 50 10 JKGE Cc1ccc(C)c(Cn2nc(-c3ccccc3)c3c2OC(N)=C(C#N)[C@@H]3c2ccccc2C(=O)O)c1 1865703736 DJIDUBOCFYNJEX-DEOSSOPVSA-N 476.536 5.132 50 10 JKGE N#CC1=C(N)Oc2c(c(-c3ccccc3)nn2Cc2cccc(Cl)c2)[C@H]1c1cccc(F)c1 1865711033 OKJPKVTVZBEPHU-QFIPXVFZSA-N 456.908 5.609 50 10 JKGE CN1CCN(c2cc(Nc3ccc(SC#N)cc3)nc(C(C)(C)C)n2)C[C@@H]1c1ccccc1 1868342584 WYLIYWZQVRGBBD-JOCHJYFZSA-N 458.635 5.584 50 10 JKGE COc1cc(/C=C(\C#N)c2ccccc2[N+](=O)[O-])ccc1OCc1c(Cl)cccc1Cl 1872729367 GEFQSFFVGFHULK-LFIBNONCSA-N 455.297 6.553 50 10 JKGE CC[C@H](C)[C@@H](/C(O)=C(\C#N)c1nc(-c2cccc(Cl)c2)cs1)N1C(=O)c2ccccc2C1=O 1872748459 YAQRHXZJDJPWEM-VVYGKFLPSA-N 477.973 5.967 50 10 JKGE Cc1cc(-c2csc(/C(C#N)=C(\O)c3ccc4c(c3)C(=O)N(c3ccc(F)cc3)C4=O)n2)ccc1F 1872749970 QGICYRDDCDSCFW-FLFQWRMESA-N 499.498 6.147 50 10 JKGE N#C/C(=C(/O)CCCOc1ccc(Cl)cc1Cl)c1nc(-c2ccc(F)c(F)c2)cs1 1872751709 SQAYCYXZWFPFGS-RGEXLXHISA-N 467.324 7.047 50 10 JKGE COc1cc(C)c(-c2csc(/C(C#N)=C(\O)CCCN3C(=O)c4ccccc4C3=O)n2)cc1C 1872758360 XDNCNYCUVUPJQV-XDOYNYLZSA-N 473.554 5.305 50 10 JKGE COc1cc(C)c(-c2csc(/C(C#N)=C(O)/C=C/c3ccc(Cl)cc3Cl)n2)cc1C 1872758376 XOWBFFJXQOBGJM-GTCCBDGYSA-N 457.382 7.248 50 10 JKGE COc1ccc(-c2csc(/C(C#N)=C/c3ccc(OCCc4ccccc4)c(OC)c3)n2)cc1C 1872780805 MJMUOXAAXICHLQ-LFVJCYFKSA-N 482.605 6.821 50 10 JKGE CCCOc1c(Br)cc(/C=C(\C#N)c2nc(-c3ccccc3Cl)cs2)cc1OC 1872781110 VCOOAHDNFQZZAN-OQLLNIDSSA-N 489.822 7.088 50 10 JKGE CCCOc1cccc(/C=C(\C#N)c2nc(-c3ccc(OCCC)c(OCCC)c3)cs2)c1 1872790036 GHSAZVVFZBWILQ-PXLXIMEGSA-N 462.615 7.241 50 10 JKGE N#C/C(=C(/O)c1cc(C(F)(F)F)cc(C(F)(F)F)c1)c1nc(-c2ccc(F)cc2F)cs1 1872818033 KCAFDTFYWLCJFI-VKAVYKQESA-N 476.348 7.076 50 10 JKGE N#C/C(=C(/O)c1cccc(Oc2ccccc2)c1)c1nc(-c2ccc(-c3ccccc3)cc2)cs1 1873940978 QGJWGGBRKDFULZ-OHYPFYFLSA-N 472.569 8.219 50 10 JKGE C[C@]12CO[C@](COc3c(Br)cc(Br)cc3CBr)(C1)C2 1879849964 GZVPIJGLWLFLQJ-OKILXGFUSA-N 454.984 5.054 50 10 JKGE CC(C)(C)OC(=O)N[C@H](CBr)[C@@H]1CCCC[C@@]12CCN(C(=O)OC(C)(C)C)C2 1885093026 JZVBOOUPLDBKOB-MRUHUIDDSA-N 461.441 5.092 50 10 JKGE O=C(N[C@H](CCCl)COCc1ccccc1)c1cc(Br)sc1Br 1902914606 VBOVQVMQKNERPA-GFCCVEGCSA-N 481.637 5.217 50 10 JKGE O=C(c1cc(Br)sc1Br)N(Cc1ccccc1)[C@H](CCl)C1CC1 1915207321 GVZBAZPGJYACNB-CQSZACIVSA-N 477.649 5.933 50 10 JKGE Cl[C@@H](c1ccc2cc(Br)ccc2c1)c1sc(Br)cc1Br 1922888512 VUTSPTXKEBABPD-AWEZNQCLSA-N 495.461 7.517 50 10 JKGE Fc1ccc([C@H](Cl)c2c(Br)sc(Br)c2Cl)cc1Cl 1923041221 ZRHHZFVFLLJOHL-QMMMGPOBSA-N 453.385 7.047 50 10 JKGE Clc1c(Br)sc(Br)c1[C@H](Br)c1cccc2ccccc12 1923072174 NITJCWMKYZIARI-GFCCVEGCSA-N 495.461 7.564 50 10 JKGE Cl[C@H](c1c(Br)sc(Br)c1Br)[C@@H]1C[C@H]2C[C@@H]2CO1 1924570927 NOJHHECQNOAMJC-SPPFEBNGSA-N 465.432 5.741 50 10 JKGE CC1CC([C@H](Br)c2c(Br)sc(Br)c2Br)C1 1924609206 UCSHFCGIMPLING-QIYZCZBYSA-N 481.873 6.518 50 10 JKGE Cc1cc([C@@H](Br)c2ccc(Br)s2)ccc1I 1995253964 MSXNNHRHMDOEQM-GFCCVEGCSA-N 471.983 5.908 50 10 JKGE O=C(c1ncc(Br)cc1Cl)N(Cc1ccccc1)[C@H](CBr)C1CC1 2007993406 YJCXQVWHLDKWML-MRXNPFEDSA-N 472.608 5.313 50 10 JKGE CC1(C)CCC[C@@H]([C@@H](Br)c2cc(Br)sc2Br)CC1 2039364434 XUWIHNQKKDPFNX-BXKDBHETSA-N 459.085 7.316 50 10 JKGE Clc1c(Br)sc(Br)c1[C@@H](Br)[C@H]1[C@H]2CCCCC[C@H]21 2048339828 KJXGWASPFITZML-ODHVRURNSA-N 477.487 7.189 50 10 JKGE COCc1cccc([C@H](Br)c2cc(Br)c(Br)s2)c1 2071272701 ZWBKIOIVKKQVNR-LBPRGKRZSA-N 455.009 5.904 50 10 JKGE Cc1cc(Br)c([C@@H](Br)C2(CC(F)F)CCC2)cc1Br 2095629902 XRVHCDMISKWWOA-CYBMUJFWSA-N 460.982 6.782 50 10 JKGE C[C@@H]1Cc2cc([C@@H](Br)c3cscc3OCc3ccccc3)cc(Br)c2O1 2100079317 QACRHKVCGRPRCP-ZUOKHONESA-N 494.248 6.897 50 10 JKGE C[C@@]1(C(F)(F)F)C[C@@]1(CBr)Cc1cc(Cl)ccc1I 2105504526 IDHUJWUNKUVXTI-VXGBXAGGSA-N 467.494 5.841 50 10 JKGE CC[C@H](C[C@@H](Br)c1ccc(Br)c(C)c1Br)C(C)(C)C 2138869186 YNOFHBRIJKUITK-BXUZGUMPSA-N 455.072 7.418 50 10 JKGE Cc1c(Br)sc([C@@H](Br)C2C3(CCC3)C23CCC3)c1Br 2139148903 WLMNQWGAJSMMRQ-SNVBAGLBSA-N 469.080 6.988 50 10 JKGE Cc1cc(Br)c(CBr)c(N2C[C@@](C)(F)[C@](C)(Br)C2)c1 2140741854 MQVPBZFKRWPUFG-ZIAGYGMSSA-N 458.007 5.354 50 10 JKGE C[C@@]1(C(F)(F)F)C[C@@]1(CBr)Cc1ccc(I)c(Cl)c1 2142940616 OTEBCRJCVUPOFX-VXGBXAGGSA-N 467.494 5.841 50 10 JKGE COc1cccc([C@@H](Br)CCc2c(Br)cccc2Br)c1 2155651935 QRFDPDAUCBKUES-AWEZNQCLSA-N 463.007 6.289 50 10 JKGE Cc1c(Br)sc([C@@H](Br)[C@@H]2CC23CCC(F)(F)CC3)c1Br 2163395411 GDWYSWOPAULQEK-WPRPVWTQSA-N 493.049 7.233 50 10 JKGE Clc1ccc(I)c(CC2(CBr)CC3(C2)CC32CCC2)c1 2183936691 QEVDGZPUIBUWHQ-UHFFFAOYSA-N 465.600 6.223 50 10 JKGE Cc1cc(Br)c(C)c([C@@H](Br)C2CCS(=O)(=O)CC2)c1Br 2201065925 VLGCDPVPOBGOEY-AWEZNQCLSA-N 489.067 5.089 50 10 JKGE Brc1cccc(Br)c1CN1CC[C@@H]2CC[C@H](Br)C[C@@H]2C1 2204116434 QCHOHGBDDJCCIJ-XQQFMLRXSA-N 466.055 5.597 50 10 JKGE Fc1cc(F)cc(CO[C@@H](CI)c2cccc(Br)c2)c1 2204373641 IEGLDYHUPKCTSM-HNNXBMFYSA-N 453.064 5.420 50 10 JKGE COc1cc(F)c(F)cc1[C@H](Cl)c1cc(I)ccc1Br 2204493711 XTJVXFSAXNAYPM-CQSZACIVSA-N 473.482 5.669 50 10 JKGE Cc1cc(Br)c([C@@H](Br)c2sc(C)c(C)c2Br)s1 2215943847 JSNMEBURMCAWQK-SNVBAGLBSA-N 459.066 6.744 50 10 JKGE Cc1ccc([C@H](Br)c2ccc(Cl)cc2Cl)cc1I 2217860091 ADFOCLKWBUPDER-AWEZNQCLSA-N 455.948 6.391 50 10 JKGE Cc1csc([C@@H](Br)c2ccc(Br)c(C)c2Br)c1C 2218823944 ONYYFMRVTWXZQW-ZDUSSCGKSA-N 453.037 6.683 50 10 JKGE Fc1cc(Br)c(Br)cc1[C@H](Br)CC12CCC(CC1)C2 2225615235 FDOKADALDBEXQW-KWCGZIOASA-N 455.003 6.757 50 10 JKGE Cc1ccc(I)c([C@@H](Cl)[C@H](C)c2ccncc2Br)c1 2232224656 ZRNNIQGNYMKZKX-BMIGLBTASA-N 450.545 5.841 50 10 JKGE COc1ccc([C@H](Cl)c2cc(Br)c(Br)cc2F)cc1Br 2233969218 ICPIWRQCIYURCH-AWEZNQCLSA-N 487.388 6.450 50 10 JKGE Cc1cc(Br)c([C@@H](Br)c2sncc2Br)c(C)c1F 2253504330 KSCXLSPYHYSNCA-SNVBAGLBSA-N 457.988 5.908 50 10 JKGE Cc1sc([C@@H](Br)c2cc(Br)cc(C(C)C)c2)cc1Br 2265957464 PBSDIZFWMBRTOU-HNNXBMFYSA-N 467.064 7.189 50 10 JKGE Cc1cc(Cl)c(Cl)cc1[C@@H](Br)c1c(F)cccc1I 2267662784 HNKVIHQRYZLVJN-CQSZACIVSA-N 473.938 6.530 50 10 JKGE CSCC1(COc2c(Br)cc(CBr)cc2Br)CCC1 2273931429 JGHICNUAONPOAF-UHFFFAOYSA-N 473.068 6.019 50 10 JKGE CC12CC([C@@H](Br)Cc3cc(Br)cc(Br)c3)(CCO1)C2 2277952944 LRHHXEDZMVYKNV-NFOMZHRRSA-N 453.012 5.477 50 10 JKGE COc1ccc([C@@H](Br)c2cc(Cl)ccc2Cl)c(Br)c1Cl 2283562282 JRBXAJBCIIMMNM-GFCCVEGCSA-N 459.392 6.902 50 10 JKGE Clc1ccc(I)c(CN2CCC3(CC[C@H](Br)C3)CC2)c1 2287996217 PQJPMLIWENQSQN-ZDUSSCGKSA-N 468.604 5.474 50 10 JKGE Cc1c([C@H](Cl)c2c(F)cc(Br)c(F)c2Br)nn(C)c1Br 2288482892 FQKVAMWOEDVVAU-SECBINFHSA-N 493.371 5.622 50 10 JKGE Cc1cc(C=C(C#N)C(=O)Nc2ccccc2F)c(C)n1-c1ccc(Oc2ccc([N+](=O)[O-])cn2)cc1 2294187399 JYUHNYDZTLKEFK-UHFFFAOYSA-N 497.486 5.874 50 10 JKGE N#CC(=Cc1ccc(-c2ccc([N+](=O)[O-])cc2Br)o1)C(=O)Nc1ccc(Cl)cc1 2297328240 ATPJHPPERSXRQE-UHFFFAOYSA-N 472.682 5.816 50 10 JKGE CCN(CC)c1ccc(C=C(NC(=O)c2ccccc2)C(=O)NN=Cc2cccc(Cl)c2)cc1 2297450801 IOFXACWYTNIAAR-UHFFFAOYSA-N 474.992 5.107 50 10 JKGE CCCc1sc(Br)cc1[C@H](Cl)c1sccc1I 2300646719 RWLYSKMHKABQBW-NSHDSACASA-N 461.615 6.457 50 10 JKGE Clc1cc(I)c([C@H](Cl)c2ccc(Br)cc2Cl)s1 2301087238 WAUHIQUHRJMSBA-SNVBAGLBSA-N 482.395 6.750 50 10 JKGE Cc1c(Br)sc([C@@H](Br)[C@H]2CC[C@@H]3[C@H]2C3(F)F)c1Br 2308642630 KVXPCXVIFPYANX-XQXXSGGOSA-N 464.995 6.309 50 10 JKGE N#CC(=Cc1cc(Cl)c(OCC(=O)O)c(Cl)c1)C(=O)Nc1cccc(Cl)c1Cl 2313571381 UZPLHQRXKKLRDW-UHFFFAOYSA-N 460.100 5.309 50 10 JKGE Cc1cccc(Cn2cc(C=C(C#N)C(=O)Nc3ccc(Cl)c(Cl)c3)c3ccccc32)c1 2313631885 XZQVLEXRMRCKLH-UHFFFAOYSA-N 460.364 6.851 50 10 JKGE Cc1cccc(COc2ccc(Br)cc2C=C(C#N)C(=O)N[C@H](C)c2ccccc2)c1 2313738795 PJSPDLMCQADQSM-LJQANCHMSA-N 475.386 6.121 50 10 JKGE Fc1cc(Cl)c(Br)c(Cl)c1[C@H](Br)c1occc1Br 2313759898 PCQATQKNYFADIJ-VIFPVBQESA-N 481.768 6.735 50 10 JKGE N#CC(=Cc1ccc(-c2cc(Cl)cc(Cl)c2)o1)C(=O)Nc1cc(C(F)(F)F)ccc1Cl 2314571512 GJANSYQKELJNAK-UHFFFAOYSA-N 485.676 7.471 50 10 JKGE CC[C@@H](C)N1C(=O)C(=Cc2cn(-c3ccccc3)nc2-c2c(C)cc(C)cc2C)C(C)=C(C#N)C1=O 2314611260 RTFYKKKMZYAJFZ-OAQYLSRUSA-N 478.596 5.855 50 10 JKGE CC1=C(C#N)C(=O)N(Cc2ccc(C)cc2)C(=O)C1=Cc1ccc(-c2ccc(Cl)c(Cl)c2)o1 2314617179 SEBPFNAXOXXRAT-UHFFFAOYSA-N 477.347 6.354 50 10 JKGE Fc1cc(Cl)c([C@@H](Br)c2sc(Cl)cc2I)cc1F 2316601482 SZYBVGYMQSSWHH-SNVBAGLBSA-N 483.930 6.422 50 10 JKGE CC[C@@H](NC(=O)C(C#N)=CNc1ccc(Cl)c(C(F)(F)F)c1)c1ccc2c(c1)CCCC2 2318468211 KLMJEEDEYHFEBC-JOCHJYFZSA-N 461.915 6.324 50 10 JKGE CCc1ccc(-c2csc3ncn(CC(=O)C(C#N)=C4Nc5ccccc5S4)c(=O)c23)cc1 2320729569 PKQUKAZDTFMZHU-UHFFFAOYSA-N 470.579 5.209 50 10 JKGE CCCCOC(=O)c1ccccc1NC=C(C#N)C(=O)N[C@@H](CC)c1ccc2c(c1)CCCC2 2325081414 JRZQQGSDBVMMDP-VWLOTQADSA-N 459.590 5.609 50 10 JKGE CCOc1cc(C=C(C#N)c2cc3c(cc2[N+](=O)[O-])OCCO3)ccc1OCc1ccccc1Cl 2331051634 TZPRVWLUXVUGDC-UHFFFAOYSA-N 492.915 6.061 50 10 JKGE COC(=O)c1ccccc1N1C[C@H](C(O)=C(C#N)c2nc(-c3ccc(C)cc3C)cs2)CC1=O 2331310726 BJDWEFNWQBGOOL-QGZVFWFLSA-N 473.554 5.059 50 10 JKGE COc1cc(C=CC(O)=C(C#N)c2nc(-c3c(C)c(C)cc(C)c3C)cs2)ccc1OC(C)=O 2331364588 NNFUQFBCFWTOKO-UHFFFAOYSA-N 474.582 6.484 50 10 JKGE COc1cc(Br)cc(C=C(C#N)c2nc(-c3ccc(Br)cc3)cs2)c1O 2331429883 PWIQQEKNIMDBEX-UHFFFAOYSA-N 492.192 6.113 50 10 JKGE COc1cc(Br)cc(C=C(C#N)c2nc(-c3c(C)c(C)cc(C)c3C)cs2)c1O 2331468537 VSCZCLSKDQZNMG-UHFFFAOYSA-N 469.404 6.585 50 10 JKGE COc1cc(C=C(C#N)c2nc(-c3c(C)cc(C)cc3C)cs2)ccc1OCCCc1ccccc1 2331478416 HLZLKURPOCXDSB-UHFFFAOYSA-N 494.660 7.820 50 10 JKGE COc1ccc(-c2csc(C(C#N)=Cc3cc(Br)cc(OC)c3O)n2)cc1Cl 2331484722 NVVOESKMKCWAIW-UHFFFAOYSA-N 477.767 6.013 50 10 JKGE N#CC(=Cc1cccc(OCc2ccccc2)c1)c1nc(-c2cc(Cl)ccc2Cl)cs1 2331488925 IOOLCBPXAQENSJ-UHFFFAOYSA-N 463.389 7.760 50 10 JKGE Cc1cc(Br)c(C)c([C@@H](Br)[C@H]2[C@@H]3CCCO[C@@H]32)c1Br 2332925568 LRGGISSSCNVKIF-FFFUXKDYSA-N 453.012 5.689 50 10 JKGE Fc1cc(F)c([C@@H](Br)c2cc(Br)ccc2OCc2ccccc2)c(F)c1 2336048253 SKYSJOFWJHISBH-FQEVSTJZSA-N 486.125 6.930 50 10 JKGE Fc1ccc(Cl)c(F)c1[C@H](Cl)c1ccc(OCc2ccccc2)cc1Br 2336053081 GVIGGYMQXFHJEH-LJQANCHMSA-N 458.129 7.288 50 10 JKGE Clc1c(Br)sc(Br)c1[C@H](Br)[C@@H]1COC2(CCC2)CO1 2338811510 CTFVWDQEATUFPY-POYBYMJQSA-N 495.458 5.701 50 10 JKGE Fc1cc([C@H](Cl)c2c(Br)sc(Br)c2Cl)c(Cl)cc1Cl 2351643782 ZBJUAZCHNSLWSO-QMMMGPOBSA-N 487.830 7.701 50 10 JKGE CC(C)(C)[C@@H]1CC[C@@H](Br)[C@H](Cc2ccc(Cl)c(I)c2)C1 2362435235 CZUZOYUBKMGLOE-MGPQQGTHSA-N 469.632 6.713 50 10 JKGE Cc1cc(Br)c(F)c(Br)c1[C@H](Br)C[C@@H]1CCCOCC1 2365187998 GUJLNTLLKVSHDT-GHMZBOCLSA-N 473.018 6.302 50 10 JKGE Cc1cc(Br)c(F)c(Br)c1[C@H](Br)[C@@H]1CCC[C@H](C)CC1 2365223027 JPTZPACNYSWJAS-DRCTWCGVSA-N 471.046 7.312 50 10 JKGE CCOc1cccc(Oc2cc(Br)cc(Br)c2)c1CBr 2367454316 YFZKOOPZPMUNSB-UHFFFAOYSA-N 464.979 6.298 50 10 JKGE FC1(F)[C@H]2C[C@@H](CO[C@@H](CI)c3ccccc3Br)C[C@H]21 2369983184 UBYBOCWUUTYEKW-TWJQMWNJSA-N 457.096 5.233 50 10 JKGE CCc1cc(Br)c(OC)c([C@@H](Br)c2nc(C)sc2Br)c1 2381254429 QXPXCYOSGNAPOH-LLVKDONJSA-N 484.051 6.032 50 10 JKGE Cc1ccc(N(C(=O)CCl)[C@H](C(=O)N[C@H]2CCCC[C@@H]2C)c2ccccc2Cl)cc1C 3035414 MXBROKXCOQHDBE-OWSXEPHWSA-N 461.433 5.965 50 10 JKGE N#CC1=C2N=C(N)c3ccccc3N2C2=C(C(=O)C[C@H](c3ccccc3)C2)[C@@H]1c1ccc(F)cc1 3654440 MFDUIKSPWTXOSK-NIYFSFCBSA-N 460.512 5.284 50 10 JKGE N#C/C(C(=O)Nc1ccccc1F)=C1\S[C@H](Cc2ccc(Cl)cc2)C(=O)N1c1ccccc1 13562896 VQJHFDFBOORJGU-UDXHRHDRSA-N 477.948 5.544 50 10 JKGE CCOc1ccc2ccccc2c1/C=N\NC(=O)COc1ccc(C(C)(C)CC(C)(C)C)cc1 20072024 BPUMPYKBUDYSIH-YKQZZPSBSA-N 460.618 6.481 50 10 JKGE Cc1ccc(C)c(CS/C(Nc2ccc(Cl)cc2)=C(\C#N)S(=O)(=O)c2ccccc2)c1 20325111 YVIDTHIMMKBYIX-WCWDXBQESA-N 469.031 6.469 50 10 JKGE CC/C(=N/NC(=O)c1ccc(CSc2ccc(Cl)cc2)cc1)c1ccc(OC(F)F)cc1 33552335 LMIONOORRICZLZ-SLMZUGIISA-N 474.960 6.778 50 10 JKGE N#C/C(=C/c1cn(-c2ccccc2)nc1-c1ccc(Br)cc1)C(=O)NCc1ccco1 33623266 NZWZVAATCGUKLN-AQTBWJFISA-N 473.330 5.118 50 10 JKGE COc1ccc(Oc2ccc(-n3c(C)cc(/C=C(/C#N)C(=O)NCc4cccs4)c3C)cc2)cc1 33628927 CYWGIZWETDWJOT-JWGURIENSA-N 483.593 6.180 50 10 JKGE Fc1ccc(COc2ccc(Br)cc2CBr)c(Br)c1 36894739 BUBCYJUGJMCWDJ-UHFFFAOYSA-N 452.943 5.825 50 10 JKGE CCCCCCN1C(=O)C(C#N)=C(C)/C(=C\c2ccc(OCc3ccc(Cl)cc3Cl)cc2)C1=O 38604213 VPVTTZSFAOMJDU-OEAKJJBVSA-N 497.422 6.745 50 10 JKGE COc1cc(/C=C2/C(=O)N(C3CCCCC3)C(=O)C(C#N)=C2C)ccc1OCc1ccc(C)cc1 38608235 BVJFGOPAYNGAFL-BUVRLJJBSA-N 470.569 5.508 50 10 JKGE CCCCCOc1ccc(C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@H]3c2ccc(F)cc2)cc1 38652761 PESQFSAICKAMNY-SANMLTNESA-N 472.516 5.832 50 10 JKGE CCCOc1cccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)COc4ccc(CC)cc4)ccc32)c1 38684483 MXSMHTIHBQDSKT-MUUNZHRXSA-N 484.552 5.240 50 10 JKGE N#CC1=C(N)Oc2cc(OC(=O)c3ccco3)ccc2[C@H]1c1cccc(OCc2ccccc2Cl)c1 38686692 URHRFCOMYRIWHO-AREMUKBSSA-N 498.922 5.949 50 10 JKGE Cc1ccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4sc5ccccc5c4Cl)ccc32)cc1 38686932 MKTNYFCFOBIBDT-JOCHJYFZSA-N 472.953 6.301 50 10 JKGE COc1cc(/C=C(\C#N)C(=O)Nc2ccc(Cl)cc2)ccc1OCc1ccc(Br)cc1 59116927 DJWAQBQAVQFTMH-LDADJPATSA-N 497.776 6.236 50 10 JKGE CC(C)(c1ccccc1)c1ccc(OCC(=O)N/N=C/c2cc([N+](=O)[O-])ccc2Cl)cc1 59147354 UPELBEIWAWNNQY-CVKSISIWSA-N 451.910 5.103 50 10 JKGE O=C(N/N=C(/CSc1nc2ccccc2s1)c1ccc(Br)cc1)c1cccnc1 59460740 GEJFMFYVRDMMAE-BWAHOGKJSA-N 483.416 5.380 50 10 JKGE Cc1ccc(C)c(OCCCC(C)(C)C(=O)NNC(=O)c2ccc(NC(=O)C3CCCCC3)cc2)c1 66201442 OMGBVRDQHYNGIP-UHFFFAOYSA-N 493.648 5.469 50 10 JKGE Cc1cc(C)c(OCC(=O)N/N=C/c2cc(/N=N/c3ccccc3)ccc2O)c(Br)c1 97136562 WEHOPYABJRDQKM-ZGQMNJRFSA-N 481.350 5.716 50 10 JKGE CC1=C(C#N)C(=O)N(Cc2ccccc2)C(=O)/C1=C/c1ccc(-c2cccc(Cl)c2Cl)o1 101335084 RBVMFXRNRYHMMU-XDHOZWIPSA-N 463.320 6.046 50 10 JKGE CC1=C(C#N)C(=O)N(C2CCCCC2)C(=O)/C1=C/c1ccc(-c2cccc(Cl)c2Cl)o1 101339038 OXESLJMLQWBQRW-LDADJPATSA-N 455.341 6.178 50 10 JKGE COc1ccc(C)cc1[C@H](Br)c1cc(Br)sc1Br 104036810 PQQNBZVUKDYHNK-LBPRGKRZSA-N 455.009 6.074 50 10 JKGE COc1ccc([C@H](Br)c2cccc(I)c2)c2ccccc12 109838851 JUQMFGYVOLCXOB-GOSISDBHSA-N 453.117 5.937 50 10 JKGE Fc1cccc(F)c1C[C@H](Br)c1cc(Br)ccc1Br 122879560 NJCJBQUCNJFTNB-LBPRGKRZSA-N 454.934 6.169 50 10 JKGE Cc1cc(Br)cc([C@H](Br)c2csc3c(Br)cccc23)c1 132023295 YGYZSORCTDXUNR-HNNXBMFYSA-N 475.043 7.219 50 10 JKGE Cc1ccc([C@H](Cl)c2cc(Br)c(C)cc2Br)c(Br)c1 163923310 ZYKXLLZGUIAQGC-HNNXBMFYSA-N 467.426 6.919 50 10 JKGE CCOc1ccc([C@@H](Br)c2ccc(Br)c(F)c2)cc1Br 228994547 ZFPWYBXOJBGDNP-OAHLLOKOSA-N 466.970 6.234 50 10 JKGE Clc1cc([C@@H](Cl)c2cc(Br)sc2Br)sc1Br 236038744 KCXLBGKWWBIDPC-ZETCQYMHSA-N 485.875 7.079 50 10 JKGE O=C(NN=Cc1cccc(Cl)c1Cl)c1ccc(CN2C(=O)c3cccc4cccc2c34)cc1 254441669 LPMDVDSCJOGNMR-UHFFFAOYSA-N 474.347 6.071 50 10 JKGE Cc1ccc(-n2c(SCC(=O)NN=Cc3ccc(C(C)C)cc3)nnc2-c2ccccc2)cc1 254602083 YQDYDUQDTUUOKW-UHFFFAOYSA-N 469.614 5.609 50 10 JKGE CCOc1ccc(-n2c(SCC(=O)NN=C/C=C/c3ccccc3)nnc2-c2ccccc2)cc1 254730232 QOVFFHFAHAMBLC-JSZNAXGSSA-N 483.597 5.241 50 10 JKGE Cc1cc(Br)ccc1[C@H](Br)c1c(C)cc(C)c(Br)c1C 380407481 GKLDSYBCSJCZGD-KRWDZBQOSA-N 461.035 6.930 50 10 JKGE C[C@H]1CN(Cc2ccccc2)CCCN1c1cc(Br)ccc1CBr 382663452 UPADNIBEVUYLOB-INIZCTEOSA-N 452.234 5.445 50 10 JKGE Cc1ccc([C@@H]2CN(Cc3ccccc3)C[C@H]2CI)c(Br)c1 382689032 KORZYEZDLNLFKK-SJLPKXTDSA-N 470.192 5.408 50 10 JKGE Cc1ccc(COc2c(Br)cc(Br)cc2CBr)c(Cl)c1 383605416 WJPBHGQQMTULKY-UHFFFAOYSA-N 483.425 6.647 50 10 JKGE C[C@H](Cl)c1nc2cc(Cl)c(F)cc2n1CCCN(Cc1ccccc1)Cc1ccccc1 390473136 HYWNQABHQOOANA-IBGZPJMESA-N 470.419 7.221 50 10 JKGE Clc1ccc([C@H](CBr)Cc2cc(Cl)ccc2I)cc1 405501597 CDGUYYZJVDXYEB-LBPRGKRZSA-N 469.975 6.319 50 10 JKGE CC(C)(C)[Si](C)(C)OCCc1cccc([C@H]2COCCN2CCO[Si](C)(C)C(C)(C)C)c1 616639038 IGTLGFZMBSLBMP-XMMPIXPASA-N 479.854 6.646 50 10 JKGE CC(C)(C)[Si](C)(C)OCc1ccccc1[C@@H]1CNc2ccccc2N1S(=O)(=O)c1ccccc1 616685192 CKJJBCYYDXQXMP-SANMLTNESA-N 494.733 6.571 50 10 JKGE FC(F)(F)c1ccc(Cl)c([C@H](Cl)c2cc(Br)sc2Br)c1 695018094 XUBLYXFNHWOANR-JTQLQIEISA-N 468.947 7.274 50 10 JKGE BrCC(CBr)(Cc1ccc(Br)cn1)C1CCCCCC1 696863698 AUSUDXUXNQTJMZ-UHFFFAOYSA-N 468.071 6.133 50 10 JKGE O=[N+]([O-])c1cc(Br)c(Oc2ccc(CBr)nc2)c(Br)c1 703453353 GHBHOZPNRYPMHB-UHFFFAOYSA-N 466.911 5.202 50 10 JKGE CC(=NNC(=O)CCCSc1nc2ccc([N+](=O)[O-])cc2s1)c1ccc(Br)cc1 1083994756 HNTZMCFUKLUQIT-UHFFFAOYSA-N 493.408 5.380 50 10 JKGE CC(=NNC(=O)C=C(Sc1ccccc1)Sc1ccccc1)c1ccc2ccccc2c1 1084032972 YONCHUZKROYJDY-UHFFFAOYSA-N 454.620 7.106 50 10 JKGE O=C(C=C(Sc1ccccc1)Sc1ccccc1)NN=Cc1cccc(Br)c1 1084239046 BKEKAQQMBYPDKU-UHFFFAOYSA-N 469.429 6.325 50 10 JKGE CC(=NNC(=O)c1ccc(CSc2ccc(Cl)cc2)cc1)c1ccc(Br)cc1 1084457452 WOFBUUXBTXTWHD-UHFFFAOYSA-N 473.823 6.549 50 10 JKGE CCc1ccc(NC(=O)c2oc3c(c2C)C(=NNC(=O)c2ccccc2Br)CCC3)cc1 1772744644 ZNHUVXPFAPYMKX-UHFFFAOYSA-N 494.389 5.636 50 10 JKGE Cc1cc(CCCBr)c(C)c(Oc2cc(C)cc(CCCBr)c2C)c1 1857791042 MDQOXXKFLCVGEH-UHFFFAOYSA-N 468.273 7.368 50 10 JKGE CCOc1ccc([C@@H]2C(C#N)=C(N)Oc3c2c(C)nn3Cc2c(F)cccc2Cl)cc1OCC 1865688798 BBZJVIZDHMCRDX-HSZRJFAPSA-N 482.943 5.048 50 10 JKGE CCCOc1c(OC)cccc1[C@@H]1C(C#N)=C(N)Oc2c1c(CC)nn2Cc1c(F)cccc1Cl 1865693561 OZRHAEUVDGXQFC-JOCHJYFZSA-N 496.970 5.302 50 10 JKGE CCc1nn(-c2ccc(Cl)c(Cl)c2)c2c1[C@H](c1ccc(Cl)c([N+](=O)[O-])c1)C(C#N)=C(N)O2 1865705938 JWGKVSHLZBVBPQ-GOSISDBHSA-N 490.734 5.521 50 10 JKGE Cc1nn(-c2ccc(Cl)c(Cl)c2)c2c1[C@H](c1ccc(C(F)(F)F)cc1)C(C#N)=C(N)O2 1865710730 GNFUKDKTRDLYEE-GOSISDBHSA-N 465.262 5.725 50 10 JKGE COc1ccc(-c2nn(-c3ccccc3Cl)c3c2[C@@H](c2ccccc2C)C(C#N)=C(N)O3)cc1 1865712521 APRBAWKQGKTCBH-QHCPKHFHSA-N 468.944 5.728 50 10 JKGE N#CSc1ccc(NC(=O)[C@H](NC(=O)[C@@H](Cc2ccccn2)c2ccccc2)c2ccccc2)cc1 1866696288 NZJRLQNFXYPGCG-RRPNLBNLSA-N 492.604 5.477 50 10 JKGE CC(C)c1ccc([C@@H](CC(=O)NC(C)(C)C(=O)Nc2ccc(SC#N)cc2)C(C)C)cc1 1866739647 HGBACXWFECDYJJ-QHCPKHFHSA-N 451.636 6.046 50 10 JKGE CCCc1nc(Nc2ccc(SC#N)cc2)cc(N2CCN([C@@H](C)c3cccs3)CC2)n1 1868389485 VYOGXTMFIKAEDD-SFHVURJKSA-N 464.664 5.691 50 10 JKGE N#C/C(=C\c1ccc(N2N=C(c3ccccc3)C[C@H]2c2ccccc2)cc1)c1ncccc1[N+](=O)[O-] 1872729111 OHZUWFROIPROHK-BDFHIWMCSA-N 471.520 6.410 50 10 JKGE CC(C)[C@@H](CCl)N(Cc1ccccc1)C(=O)c1scc(Br)c1Br 1915274666 SYANWPZPYVXMCM-CQSZACIVSA-N 479.665 6.179 50 10 JKGE Cc1c(Br)sc([C@H](Br)c2cc(Cl)ccc2F)c1Br 1922955440 ZJJYQMFXRPRZQI-SNVBAGLBSA-N 477.418 6.858 50 10 JKGE C[C@@H]1COC[C@@H]1[C@@H](Br)c1c(Br)sc(Br)c1Cl 1923055597 WDQQXSUNJPUTCK-JCGDXUMPSA-N 453.421 5.645 50 10 JKGE C[C@H](c1ccncc1Br)[C@@H](Br)c1cc(Cl)cc(Br)c1 1924041031 STSFYUCCLGMSRS-XLKFXECMSA-N 468.414 6.500 50 10 JKGE Brc1sc(Br)c([C@H](Br)CC2CCCC2)c1Br 1924580567 STTGKSGJYYASNG-SSDOTTSWSA-N 495.900 7.052 50 10 JKGE C[C@@H]1CC[C@](C)([C@@H](Cl)c2c(Br)sc(Br)c2Br)C1(C)C 1924609386 WWPZEKVUEKRHGS-LJXOEOAUSA-N 493.530 7.778 50 10 JKGE CCc1nc(C(=O)N(Cc2ccccc2)[C@@H](C)CCBr)c(Br)s1 1980615318 OUNOIEOCZGAQFI-LBPRGKRZSA-N 460.235 5.284 50 10 JKGE Cc1cc(Br)c(CBr)c(N2CCC(OCc3ccccc3)CC2)c1 2005452567 JXWWJLLHNJCRLG-UHFFFAOYSA-N 453.218 5.838 50 10 JKGE Brc1sc([C@H](Br)c2ccccc2OCc2ccccc2)cc1C1CC1 2033632304 IBUKINNANYWRGU-HXUWFJFHSA-N 478.249 7.451 50 10 JKGE Brc1sc([C@@H](Br)c2cccc(OCc3ccccc3)c2)cc1C1CC1 2033635425 SBHRQZNOIRNLII-FQEVSTJZSA-N 478.249 7.451 50 10 JKGE Cc1sc(Br)cc1[C@H](Cl)c1cc(I)cc2c1OCC2 2095699651 QONAZAAETSYSRB-ZDUSSCGKSA-N 469.569 5.687 50 10 JKGE C[C@H](CN(C)Cc1ccccc1)n1c(CCCl)nc2cc(Br)c(Cl)cc21 2103625618 ZCGJYJXZJMLFEF-CQSZACIVSA-N 455.227 5.927 50 10 JKGE CC(C)(C)[C@@]1(CBr)CCN(c2ncc(Br)cc2Br)C1 2104634474 MCUGKCWDCRFDLZ-CQSZACIVSA-N 455.032 5.244 50 10 JKGE Cl[C@@H](c1c(Br)sc(Br)c1Br)[C@@H]1CCn2ncnc2C1 2108969501 ONTMXJTZDTVTCK-MLUIRONXSA-N 490.446 5.170 50 10 JKGE BrC[C@@]12CCC[C@H]1CN(Cc1cc(Br)ccc1Br)C2 2118527347 DPEDJKBJBNZQSF-SWLSCSKDSA-N 452.028 5.209 50 10 JKGE CC1(C)CCC(CBr)(Cc2cc(Br)ccc2Br)CC1 2118528957 BUGLKCUBLMNNGC-UHFFFAOYSA-N 453.056 6.736 50 10 JKGE CCC[C@H](Br)c1cn(-c2c(Br)cc(C)cc2Br)nn1 2121073014 LJDCTGPRCVDYTJ-VIFPVBQESA-N 451.988 5.337 50 10 JKGE CC1(C)CCCN(Cc2cc(Br)ccc2Br)[C@H]1CBr 2129322687 AZBUVHJBLUSQHR-AWEZNQCLSA-N 454.044 5.597 50 10 JKGE F[C@@H]1[C@@H](Br)C[C@H]2CC[C@H]1N2Cc1cc(Br)ccc1Br 2134129947 OJIPDPBOVQBRAV-YXCITZCRSA-N 455.991 5.050 50 10 JKGE Fc1cc(Br)c([C@@H](Cl)c2ccccc2OCc2ccccc2)c(F)c1Cl 2136958006 ZUCKPDUPFRCRRT-SFHVURJKSA-N 458.129 7.288 50 10 JKGE Cc1cc(Cl)c(Br)cc1[C@H](Br)c1cccc(Br)c1C 2137643754 VKQNSRZQFMSQEJ-OAHLLOKOSA-N 467.426 6.966 50 10 JKGE Cc1cc(F)c(F)cc1[C@H](Br)c1ccc(I)c(Cl)c1 2139642513 IUKZLWNGLGGFAF-CQSZACIVSA-N 457.483 6.016 50 10 JKGE C[C@@]1(F)CN(c2cc(Br)cc(F)c2CBr)C[C@@]1(C)Br 2140738735 DCECGUYQDVFMPP-CHWSQXEVSA-N 461.970 5.185 50 10 JKGE Cc1c(Br)sc([C@@H](Br)C2C[C@H]3COC[C@H](C2)C3)c1Br 2141799949 RLOFGKIMOWYWMM-AUTRQRHGSA-N 473.068 6.080 50 10 JKGE Fc1c(Cl)cccc1C[C@@H](Cl)c1ccc(Br)cc1I 2142282875 JIIPUATVGFBIGD-GFCCVEGCSA-N 473.938 6.369 50 10 JKGE Brc1ccc(C[C@H](Br)c2cc(Br)c3c(c2)CCO3)cc1 2146625751 BOOPRSGJDFGAJV-AWEZNQCLSA-N 460.991 5.825 50 10 JKGE O=C(c1scc(Br)c1Br)N1CCC[C@@H]2CC[C@@H](Br)C[C@H]21 2167020778 JJWPMSDLWAAGBX-FXPVBKGRSA-N 486.067 5.441 50 10 JKGE O=S(=O)(c1ccc(F)c(CBr)c1F)N(Cc1ccccc1)C1CCCCC1 2179859653 HIVAVIXNRGKKPT-UHFFFAOYSA-N 458.368 5.383 50 10 JKGE CC(C)OC(C)(C)CO[C@](C)(CI)c1ccccc1Br 2189903007 BVIFGNZISTXIMW-MRXNPFEDSA-N 455.174 5.320 50 10 JKGE Cc1cc(Br)c(C)c([C@H](Br)c2ccc(Cl)c(F)c2)c1Br 2201067939 BYZOFARLMBHLPZ-OAHLLOKOSA-N 485.416 7.105 50 10 JKGE Cc1cccc([C@@H](Cl)c2c(C)c(Br)cc(C)c2Br)c1Br 2201079640 UBBOOOGKVYHFPZ-MRXNPFEDSA-N 481.453 7.228 50 10 JKGE COc1c(Cl)cc(Br)cc1[C@H](Br)c1cc(Br)ccc1F 2202997647 AVCQYQRAWWVNMV-CYBMUJFWSA-N 487.388 6.497 50 10 JKGE Cc1c(Br)ccc([C@H](Br)[C@@H]2[C@H]3CCCC(F)(F)[C@@H]32)c1Br 2203707063 UMDXAPFNTAZJMQ-XFOOOJQKSA-N 472.993 6.637 50 10 JKGE FC(F)(F)[C@@H]1CC[C@@H]1[C@H](Cl)c1c(Br)sc(Br)c1Br 2217669793 CVPXBAVMDRARKW-XIVJJUGBSA-N 491.392 6.904 50 10 JKGE Cc1ccc([C@@H](Br)c2ccc(Cl)c(Cl)c2)cc1I 2217861214 PNKSTJSNFMYPRH-AWEZNQCLSA-N 455.948 6.391 50 10 JKGE Cn1nc([C@H](Br)c2cc(Br)c(Br)cc2F)cc1Cl 2218602365 FHPQRJOKTSGCQW-LLVKDONJSA-N 461.354 5.222 50 10 JKGE Cc1c(Br)sc([C@@H](Br)c2cccc(Br)c2Cl)c1C 2218788296 CFEUZNDYAJEAIB-JTQLQIEISA-N 473.455 7.028 50 10 JKGE C[C@]1([C@H](Br)c2c(Br)cc(Cl)c(Cl)c2Cl)CCCOC1 2224309826 DDLUVKKCLUVDIG-OLZOCXBDSA-N 451.413 6.662 50 10 JKGE Cc1cc(Br)c([C@@H](Br)c2cn(C)nc2Br)c(C)c1Cl 2224322418 ONVHGKWWXLYWNW-NSHDSACASA-N 471.418 5.700 50 10 JKGE Fc1cc(Br)c(Br)cc1[C@@H](Br)C1(CC2CC2)CCC1 2225617978 SQBIGOFXFGJQFP-CQSZACIVSA-N 455.003 6.757 50 10 JKGE Cc1c(Br)cccc1[C@H](Cl)c1cc(Br)c(Br)cc1F 2225635943 YHQODOJMTDKGEV-AWEZNQCLSA-N 471.389 6.750 50 10 JKGE Clc1cc(Br)c([C@H](Br)CC2CCCCCC2)c(Cl)c1Cl 2232511751 LONLOQZEUKOEOY-SNVBAGLBSA-N 463.468 8.206 50 10 JKGE FC(F)(F)[C@@H]1CC[C@@H]1[C@H](Br)c1cc(I)cc2c1OCC2 2232577239 NYTWZPQYINLHJD-WCQGTBRESA-N 461.059 5.251 50 10 JKGE CCOCc1cc(Br)c([C@H](Br)c2ccc(Br)cc2F)s1 2233017471 CCKLQXWVKHBWAX-CYBMUJFWSA-N 487.026 6.433 50 10 JKGE Cc1cc(Br)c([C@@H](Br)[C@@H]2CCCCC2(F)F)c(C)c1Br 2235604040 MGMLZUMLINUEGX-HZMBPMFUSA-N 475.009 7.090 50 10 JKGE Cc1cc(Br)c([C@H](Cl)Cc2ccccc2Br)c(C)c1Br 2235607053 FDIMLEPTOXKIEI-CQSZACIVSA-N 481.453 7.114 50 10 JKGE Cc1cc(Br)c([C@@H](Br)c2cc(Br)cc3c2O[C@@H](C)C3)s1 2237632909 DWYTYXKCYKXBEX-CPFSXVBKSA-N 481.047 6.389 50 10 JKGE CC1([C@@H](Br)c2cc(Br)c(Br)s2)CC(C(F)(F)F)C1 2253655164 LIWBZHXKOYZXJW-KSHCCYOPSA-N 470.974 6.688 50 10 JKGE Fc1cc(Cl)c([C@H](Br)c2cc(Br)c(Cl)s2)cc1Br 2258112751 KXRMGMSZRDTYPG-JTQLQIEISA-N 497.836 7.203 50 10 JKGE COc1cc(Br)ccc1[C@H](Br)c1sc(C)c(C)c1Br 2264469770 XPDPFESZBOIIPD-ZDUSSCGKSA-N 469.036 6.383 50 10 JKGE FC1(F)C[C@H]([C@H](Br)c2c(Cl)sc(Br)c2Cl)C12CCC2 2266146871 MYYMNUOXGJZBAC-VDTYLAMSSA-N 454.989 7.079 50 10 JKGE Clc1cc(Cl)cc(C[C@@H](Br)c2ccc(Cl)c(I)c2)c1 2268323151 MKUVANGBMQLYEB-GFCCVEGCSA-N 490.393 6.930 50 10 JKGE Fc1cc(Cl)c([C@H](Cl)c2ccc(Br)cc2Br)cc1Br 2270460163 AGPWNGOSFAWHLM-CYBMUJFWSA-N 491.807 7.095 50 10 JKGE Fc1cc(Br)c(F)c(Br)c1[C@H](Br)[C@]12COC[C@H](C1)C2 2273087562 XCWMNVGUVCEYBW-MYWNEDRFSA-N 460.938 5.352 50 10 JKGE Cc1cc(Br)c([C@H](Br)c2sc(C)c(Br)c2C)c(C)c1F 2279140328 WTDVGZNPMIDRMW-ZDUSSCGKSA-N 485.054 7.130 50 10 JKGE CN(Cc1ccc(I)cc1)c1ccc(F)c(Cl)c1CBr 2280337616 NHZFOVWIQBXGLQ-UHFFFAOYSA-N 468.535 5.615 50 10 JKGE CCOc1ccc(Br)cc1[C@H](Cl)c1c(F)cccc1I 2282892948 GJKALEXERAEKMN-HNNXBMFYSA-N 469.519 5.920 50 10 JKGE COc1ccc([C@H](Br)[C@@H]2CC(F)(F)C23CCC3)cc1I 2285013188 TZZMOMVFIVISQG-GWCFXTLKSA-N 457.096 5.561 50 10 JKGE FC(F)[C@H]1CCC[C@@H]1COc1c(Br)cc(Br)cc1CBr 2285578025 BAYRUTVIAQIJFV-KCJUWKMLSA-N 476.981 6.167 50 10 JKGE COc1cc(C=C(C#N)C(=O)N[C@H]2CCCC[C@H]2C)ccc1OCc1cccc(C(F)(F)F)c1 2297381622 CVEPLCGGEHYSOL-VGSWGCGISA-N 472.507 5.895 50 10 JKGE COc1cccc(OCCn2cc(C=C(C#N)C(=O)Nc3nc4ccccc4s3)c3ccccc32)c1 2297500350 JBGIBDBWYCHVCE-UHFFFAOYSA-N 494.576 5.884 50 10 JKGE Cc1cccc2cc(C=C(C#N)c3nc(-c4ccc(-c5ccccc5)cc4)cs3)c(Cl)nc12 2297624127 YQODKOQOZDLLTF-UHFFFAOYSA-N 463.993 8.051 50 10 JKGE C[C@@H](N=Nc1ccc([N+](=O)[O-])cc1)P(=N[S+](C)(C)=O)(c1ccccc1)c1ccccc1 2297730923 RKPLZKZCZNWPNP-SFHVURJKSA-N 455.500 5.551 50 10 JKGE Brc1ccc(OCc2ccccc2)c([C@@H](Br)[C@H]2CCC23CCC3)c1 2299492067 HFCOFGGHKYTZCX-UYAOXDASSA-N 450.214 7.044 50 10 JKGE CC1(C)CCC[C@@H]1[C@H](Br)c1ccc(OCc2ccccc2)cc1Br 2299498206 UDSQSTQMADZMPL-UYAOXDASSA-N 452.230 7.290 50 10 JKGE FC(F)(F)[C@@H]1CC[C@@H]1[C@H](Br)c1sc(Cl)cc1I 2300950170 WYYFHFVLRPTPEQ-UUEMRFSQSA-N 459.496 6.031 50 10 JKGE N#CC(=Cc1ccc(OCc2cccc3ccccc23)cc1)C(=O)Nc1cccc(Cl)c1Cl 2313571051 MEGFSXJSUACQSF-UHFFFAOYSA-N 473.359 7.271 50 10 JKGE COc1cccc(C=C(C#N)C(=O)Nc2cccc([N+](=O)[O-])c2)c1OCc1ccccc1Cl 2313675885 ZIYZJVTXIBRJTF-UHFFFAOYSA-N 463.877 5.381 50 10 JKGE COc1ccc(NC(=O)C(C#N)=Cc2cc(Cl)ccc2OCc2ccc(Cl)cc2)cc1 2313681214 USAXGLPTLFQNGM-UHFFFAOYSA-N 453.325 6.127 50 10 JKGE FC1(F)CCCC[C@H]1[C@@H](Br)c1cc(Br)ccc1OCc1ccccc1 2314447742 BKDVWTYFEPCNCZ-HKUYNNGSSA-N 474.183 7.290 50 10 JKGE CCc1ccc(N2C(=O)[C@H](Cc3ccc(Cl)cc3)SC2=C(C#N)C(=O)Nc2ccccc2)cc1 2314593081 HHICETWFOSVXFV-DEOSSOPVSA-N 488.012 5.967 50 10 JKGE COC(=O)C(C#N)=Cc1ccc(OC(=O)COc2ccc(C(C)(C)c3ccccc3)cc2)c(OC)c1 2314730895 XRHWWAHNRCDIHZ-UHFFFAOYSA-N 485.536 5.085 50 10 JKGE Brc1cc(OCc2ccccc2)ccc1[C@H](Br)C[C@H]1CC[C@@H]1C1CC1 2319482482 IFOWXGDTADEGIS-YFVAEKQCSA-N 464.241 7.290 50 10 JKGE CC[C@H](C)N1C(=O)c2ccc(C(O)=C(C#N)c3nc(-c4cccc(OC)c4)cs3)cc2C1=O 2331246314 ALNHQXSRTUJXMK-AWEZNQCLSA-N 459.527 5.163 50 10 JKGE COc1ccc(-c2csc(C(C#N)=C(O)c3ccc4c(c3)C(=O)N(C3CCCCC3)C4=O)n2)cc1C 2331259058 FMKOMYUFLRRTAC-UHFFFAOYSA-N 499.592 6.006 50 10 JKGE COc1ccccc1-c1csc(C(C#N)=C(O)c2cc(C(F)(F)F)cc(C(F)(F)F)c2)n1 2331282277 XZQOGHUSHABFFG-UHFFFAOYSA-N 470.394 6.806 50 10 JKGE N#CC(=C(O)c1ccc2c(c1)C(=O)N(C1CCCCC1)C2=O)c1nc(-c2ccc(F)cc2F)cs1 2331286512 CFIHVDJKWWINPL-UHFFFAOYSA-N 491.519 5.967 50 10 JKGE CC(C)C[C@H](C(O)=C(C#N)c1nc(-c2ccc(Cl)cc2)cs1)N1C(=O)c2ccccc2C1=O 2331295842 JYOLLZBPZTXXBJ-OAQYLSRUSA-N 477.973 5.967 50 10 JKGE COc1cc(C(O)=C(C#N)c2nc(-c3ccc(Oc4ccccc4)cc3)cs2)cc(OC)c1OC 2331358867 XAJBQHNBXRHMDV-UHFFFAOYSA-N 486.549 6.578 50 10 JKGE Cc1ccc(C)c(OCC(O)=C(C#N)c2nc(-c3ccc(Oc4ccccc4)cc3)cs2)c1C 2331359026 SCEFBWGBXYABMJ-UHFFFAOYSA-N 468.578 7.399 50 10 JKGE COc1ccc(Cl)cc1-c1csc(C(C#N)=C(O)COc2ccc(Cl)cc2Cl)n1 2331411204 YWDSREJISWIDDT-UHFFFAOYSA-N 467.761 6.651 50 10 JKGE COc1ccc(-c2csc(C(C#N)=Cc3ccc(OCc4ccc(Cl)cc4)cc3)n2)cc1F 2331455705 JWJKTEHQJCASEI-UHFFFAOYSA-N 476.960 7.254 50 10 JKGE Fc1cc(Cl)c(Br)c(Cl)c1[C@H](Cl)c1ccccc1OCc1ccccc1 2335301442 GTLYEHPQZLUAQG-LJQANCHMSA-N 474.584 7.802 50 10 JKGE CC12CC(C1)[C@@H]([C@H](Br)Cc1cc(Br)cc(Br)c1)CO2 2337683610 RIYHALYCTBHJGR-NSDPGXDNSA-N 453.012 5.333 50 10 JKGE COc1c(Br)cc(C)c([C@H](Br)c2ccc(Cl)s2)c1Br 2339652330 YGLQNESAVZKIKG-LLVKDONJSA-N 489.454 6.728 50 10 JKGE O=C(CCc1cc(Cl)cc(Cl)c1)N(Cc1ccccc1)[C@H](CBr)C1CC1 2341171226 IVXASRMATOFGAF-HXUWFJFHSA-N 455.223 6.128 50 10 JKGE C[C@@H](Br)CN(Cc1c(Br)cccc1Br)C1CCCC1 2342935198 PESIXSTUTBALEN-LLVKDONJSA-N 454.044 5.740 50 10 JKGE CC1(C)OCCC[C@@]1(CCl)Cc1ccc(I)c(Br)c1 2349838816 DFGIRKKSDNMWSH-HNNXBMFYSA-N 457.577 5.410 50 10 JKGE Brc1ccc(OCc2ccccc2)c([C@H](Br)c2ccc3c(c2)OCCO3)c1 2361179686 XOJYXPDRUGAJEA-JOCHJYFZSA-N 490.191 6.284 50 10 JKGE Brc1ccc(OCc2ccccc2)c([C@H](Br)[C@@H]2COc3ccccc3O2)c1 2361203221 FDUFYNDCTUOKLN-VXKWHMMOSA-N 490.191 6.304 50 10 JKGE FC(F)(F)c1ccc(Cl)c([C@H](Cl)c2sc(Cl)cc2I)c1 2364124802 NWQGKXVXNBTVNK-JTQLQIEISA-N 471.496 7.007 50 10 JKGE Cc1cc(Br)c([C@H](Br)[C@H]2C[C@H]3CCC[C@H]2CC3)cc1Br 2364132091 FOSVCQKGQXUCPL-NEULZYRMSA-N 465.067 7.172 50 10 JKGE CC[C@@]1([C@@H](Br)c2c(C)cc(Br)c(OC)c2Br)CC1(F)F 2365190947 JUYCKJMHDDLUNK-STQMWFEESA-N 476.981 6.400 50 10 JKGE Cc1cc(Br)c(F)c(Br)c1[C@@H](Br)C[C@H]1CC(C)(C)CO1 2365218049 JGZULOHWAJHSKC-UWVGGRQHSA-N 473.018 6.300 50 10 JKGE Cc1cc(Br)c(F)c(Br)c1[C@H](Br)[C@@H]1C[C@H]2CCCC[C@@H]21 2365221576 VIJDQVCHOQKINH-FBKDDSFISA-N 469.030 6.921 50 10 JKGE Cc1cc(Br)c(F)c(Br)c1[C@H](Br)C12CC(C[C@H](C)O1)C2 2368040333 SMYWSPWHEGSBPO-LYDZOCHNSA-N 471.002 6.053 50 10 JKGE N#C/C(=C/c1ccc(-c2ccccc2Cl)o1)C(=O)Nc1ncc(Cc2cccc(Cl)c2)s1 2670754 HJCCNOHHGUGFDF-VBKFSLOCSA-N 480.376 6.846 50 10 JKGE CC(C)Oc1ccc(-c2nn(-c3ccccc3)cc2/C=C(\C#N)S(=O)(=O)c2ccccc2)cc1 33153837 ZOMYSTQQDPQXQY-YZSQISJMSA-N 469.566 5.665 50 10 JKGE Cc1cc([N+](=O)[O-])ccc1-c1ccc(/C=C(/C#N)C(=O)Nc2ccc([N+](=O)[O-])cc2Br)o1 33930254 IEVFSXNKPZGJHM-LCYFTJDESA-N 497.261 5.380 50 10 JKGE CCOc1ccc(-c2nn(-c3ccccc3)cc2/C=C(/C#N)c2nc(O)c3ccccc3n2)cc1F 34988460 NYZJFXQNWQEEAT-RGEXLXHISA-N 477.499 5.790 50 10 JKGE CCOc1ccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)Cc4ccc(Cl)cc4)ccc32)cc1 38685955 ORJGSRJTCDOLQE-VWLOTQADSA-N 460.917 5.105 50 10 JKGE N#C/C(=C\c1ccc(-c2cc(Cl)ccc2Cl)o1)C(=O)Nc1ccc(C(F)(F)F)c(Cl)c1 39884869 MZUODKSAUODNGE-YRNVUSSQSA-N 485.676 7.471 50 10 JKGE Cc1cc(Cl)ccc1NC(=O)c1oc2c(c1C)/C(=N/NC(=O)c1cccc([N+](=O)[O-])c1)CCC2 40813013 JQUGDTVVFDQRSE-ZXVVBBHZSA-N 480.908 5.181 50 10 JKGE CCCCNC(=O)/C(C#N)=C/c1ccc(OC(=O)COc2ccc(C)cc2C(C)(C)C)c(OC)c1 40987761 DDZBOQHOEWKIAO-RCCKNPSSSA-N 478.589 5.109 50 10 JKGE CCOc1cc(/C=N/NC(=O)c2ccc(OCc3ccc(Cl)cc3Cl)cc2)ccc1O 48573475 HJBBANCZLPKQKF-LGJNPRDNSA-N 459.329 5.441 50 10 JKGE CCOC(=O)COc1ccccc1/C=N/NC(=O)c1ccc(-n2c(C)ccc2-c2ccccc2)cc1 59304477 WEBZPJMTZKCEQO-NDZAJKAJSA-N 481.552 5.159 50 10 JKGE COc1ccc(Br)cc1/C=N/NC(=O)CCCSc1nc2ccccc2s1 59519466 LXWWWNLFDLWPBV-CIAFOILYSA-N 464.410 5.090 50 10 JKGE Brc1ccc(O[C@@H]2C[C@@H](Br)C23CCCCCC3)c(Br)c1 97647299 MSOYFOBZJZMKAG-HUUCEWRRSA-N 467.039 6.467 50 10 JKGE CCOC(=O)c1ccc(-c2ccc(/C=N/NC(=O)COc3ccc(-c4ccccc4)cc3)o2)cc1 103148974 RWUJCZHPVGTMEO-RDRPBHBLSA-N 468.509 5.319 50 10 JKGE COc1ccc([C@@H](Br)c2cccc(I)c2)cc1Br 104034096 OYAMLYOOUJOBLS-AWEZNQCLSA-N 481.953 5.547 50 10 JKGE Cl[C@H](c1cc(Br)ccc1Br)c1ccccc1I 109803473 TUTTWTHBLVJXHX-ZDUSSCGKSA-N 486.372 6.144 50 10 JKGE CCOc1ccc(Br)cc1[C@H](Br)c1ccc(Br)cc1C 109871636 LLJIKBSKXHTQAN-MRXNPFEDSA-N 463.007 6.403 50 10 JKGE Brc1cc([C@@H](Br)[C@H]2COc3ccccc3O2)sc1Br 128272779 DROWLGATEBGJOK-PWSUYJOCSA-N 468.992 5.549 50 10 JKGE Cc1cc(Br)c([C@H](Cl)c2ccc(Br)cc2F)cc1Br 128650282 CQCJJZAJTUMLFE-CQSZACIVSA-N 471.389 6.750 50 10 JKGE Cc1ccc([C@H](Br)c2cc(Br)c(C)cc2Br)cc1Cl 128751764 VKQCZCHJPNGZST-HNNXBMFYSA-N 467.426 6.966 50 10 JKGE CCCCCCN1C(=O)C(C#N)=C(C)/C(=C/c2cn(-c3ccccc3)nc2-c2ccccc2)C1=O 214239067 MPJOCMGRWOVHFS-BWAHOGKJSA-N 464.569 5.712 50 10 JKGE CCCCCCCOc1ccc(/C=C2\C(=O)N([C@@H](C)c3ccccc3)C(=O)C(C#N)=C2C)cc1 214343153 DDXTUWOUFZCSET-VQGOXPAXSA-N 456.586 6.389 50 10 JKGE CC[C@@H](NC(=O)/C(C#N)=C\Nc1ccc(Cl)cc1C(F)(F)F)c1ccc2c(c1)CCCC2 217192533 QHIAOHGFPSZBPK-JOIYNNFJSA-N 461.915 6.324 50 10 JKGE N#C/C(=C/Nc1ccc(I)cc1)C(=O)NC1CCCCCCCCCCC1 217260078 KEYOZORGBHRGRA-ZCXUNETKSA-N 479.406 5.900 50 10 JKGE Fc1ccc(C[C@@H](Br)c2ccc(I)c(Cl)c2)cc1F 232386421 PAGIZJKGYIVJJP-SNVBAGLBSA-N 457.483 5.902 50 10 JKGE Cc1cc(C)c([C@@H](Br)c2cc(I)ccc2Br)c(C)c1 235862498 ZMXKGTHNIDMGLQ-INIZCTEOSA-N 494.008 6.463 50 10 JKGE Cc1ccc(S(=O)(=O)N(CC(=O)NN=Cc2cccc3ccccc23)c2cc(C)ccc2C)cc1 254507395 OLQBQUNEWSSVGT-UHFFFAOYSA-N 485.609 5.111 50 10 JKGE CSc1ccc(C=NNC(=O)c2ccc(CN3c4cccc5cccc(c45)S3(=O)=O)cc2)cc1 254679156 LCYHIHKRYDGFNG-UHFFFAOYSA-N 487.606 5.035 50 10 JKGE COc1c(C)cc(Br)c(C)c1[C@H](Cl)c1sccc1I 311410659 IMMVJYSBUVJSEX-LBPRGKRZSA-N 471.585 6.069 50 10 JKGE Cc1cc(C)c([C@H](Br)c2ccc(F)c(Br)c2)c(C)c1Br 380321376 ZDQLQCQJJABHRK-MRXNPFEDSA-N 464.998 6.760 50 10 JKGE COc1cc(Br)ccc1[C@H]1CN(C(=O)OCc2ccccc2)C[C@H]1CBr 382687728 GUNZBAJQEUIXNM-QAPCUYQASA-N 483.200 5.205 50 10 JKGE Cc1cccc([C@H]2CN(C(=O)OC(C)(C)C)C[C@H]2CI)c1Br 382721758 NULZWBYFQQTMFR-OCCSQVGLSA-N 480.184 5.143 50 10 JKGE Fc1ccc([C@H](CBr)Cc2cc(Cl)ccc2I)cc1 405530036 MKZCUVHQXMJDDY-LBPRGKRZSA-N 453.520 5.805 50 10 JKGE CC(C)(C)[Si](C)(C)OCCN1CCO[C@@H](c2cccc(CO[Si](C)(C)C(C)(C)C)c2)C1 616644253 AGUSZOVEJKEVPY-HSZRJFAPSA-N 465.827 6.604 50 10 JKGE CC(C)(C)[Si](C)(C)OCCc1ccc([C@@H]2CCN(Cc3ccccc3)c3ccccc32)cc1 616675730 PGNZEJAHHWDQEG-MHZLTWQESA-N 457.734 7.793 50 10 JKGE Fc1ccc([C@@H](Br)c2cccc(I)c2)c(F)c1Br 691540903 LNCNDFMOADWKJN-NSHDSACASA-N 487.907 5.816 50 10 JKGE Fc1cc(Br)cc(CBr)c1OCc1cc(Br)cs1 715793073 VECCNOZYVNHEJC-UHFFFAOYSA-N 458.972 5.886 50 10 JKGE CN(C[C@H]1CCCCN1Cc1ccccc1)c1ccc(Br)cc1CBr 720017374 UMCRPVGMCNAKOK-HXUWFJFHSA-N 466.261 5.835 50 10 JKGE COc1cccc(NC(=O)/C(C#N)=C/c2cc(Br)c(Sc3ccc(Cl)cc3)o2)c1 1084090631 VBRATMOKAPPSNL-UKTHLTGXSA-N 489.778 6.401 50 10 JKGE CC(C)(C)OC(=O)COc1ccc(C=NNC(=O)c2ccc(CSc3ccccc3)cc2)cc1 1084388613 YLQFSYWGGWCEGC-UHFFFAOYSA-N 476.598 5.463 50 10 JKGE CCOc1cc(/C=C(\C#N)C(=O)Nc2cccc(Cl)c2Cl)ccc1OCc1ccccc1C#N 1084407562 SKJAIZVXXUUJRX-UDWIEESQSA-N 492.362 6.388 50 10 JKGE CCOc1ccc(NC(=O)c2oc3c(c2C)C(=NNC(=O)c2ccccc2Cl)CCC3)cc1 1772743763 HZDMYHTWGSDIDH-UHFFFAOYSA-N 465.937 5.363 50 10 JKGE Cc1c(C(=O)N2c3ccc(F)cc3CC[C@H]2C)oc2c1C(=NNC(=O)c1cccc(Cl)c1)CCC2 1772745901 KCMVJIFNSMBVBT-OAHLLOKOSA-N 493.966 5.832 50 10 JKGE COc1cc(C=NNC(=O)COc2ccc(Cl)c(C)c2)ccc1OCc1ccc(Cl)cc1 1772752829 IMRIHQPESSATCX-UHFFFAOYSA-N 473.356 5.419 50 10 JKGE CCc1ccc(OCC(=O)NN=Cc2ccc(OCc3c(Cl)cccc3Cl)c(OC)c2)cc1 1772753741 GLDXKJSJHCLRBY-UHFFFAOYSA-N 487.383 5.673 50 10 JKGE N#CC1=C(N)Oc2c(c(C(F)(F)F)nn2Cc2c(F)cccc2Cl)[C@@H]1c1ccccc1F 1865683753 OOZLORZTGPNSCU-MRXNPFEDSA-N 466.797 5.100 50 10 JKGE CCc1nn(-c2ccc(Cl)c(Cl)c2)c2c1[C@@H](c1c(F)cccc1Cl)C(C#N)=C(N)O2 1865686453 VXHIRLCFCPKBNX-QGZVFWFLSA-N 463.727 5.752 50 10 JKGE CCOc1c(OC)cccc1[C@H]1C(C#N)=C(N)Oc2c1c(C)nn2Cc1ccc(Cl)c(Cl)c1 1865693271 MQCLASUTBABCIL-NRFANRHFSA-N 485.371 5.172 50 10 JKGE CCCCCOc1ccc([C@H]2C(C#N)=C(N)Oc3c2c(-c2ccc(OC)cc2)nn3CC(C)C)cc1 1865694551 ZADBEWPVFVJJHM-VWLOTQADSA-N 486.616 6.002 50 10 JKGE CCCc1nn(-c2ccccn2)c2c1[C@H](c1ccccc1OCc1ccccc1Cl)C(C#N)=C(N)O2 1865703046 LNZHADAUAAANHZ-RUZDIDTESA-N 497.986 5.670 50 10 JKGE N#CC1=C(N)Oc2c(c(C(F)(F)F)nn2Cc2ccccc2Cl)[C@@H]1c1ccc(C(F)(F)F)cc1 1865710859 KBXKCLAOOIQIJY-MRXNPFEDSA-N 498.814 5.841 50 10 JKGE N#CC1=C(N)Oc2c(c(-c3ccccc3)nn2Cc2ccccc2Cl)[C@@H]1c1ccc(O)c([N+](=O)[O-])c1 1865713998 APODGNXNKONWEI-JOCHJYFZSA-N 499.914 5.084 50 10 JKGE CSCC[C@@H](NC(=O)C[C@H](c1ccc(Cl)cc1)C(C)C)C(=O)Nc1ccc(SC#N)cc1 1866755934 PIJJOAMETDDWAL-FCHUYYIVSA-N 490.094 5.919 50 10 JKGE CC(C)Cc1nc(C(=O)N[C@H](Cc2ccccc2)C(=O)Nc2ccc(SC#N)cc2)c2ccccn12 1866868865 IOCPHPVTJSYVDU-HSZRJFAPSA-N 497.624 5.086 50 10 JKGE Cc1ccc(-c2nc(Nc3ccc(SC#N)cc3)cc(N3CCc4ccc([N+](=O)[O-])cc43)n2)cc1 1868320318 HKWCQFOZNCHVFV-UHFFFAOYSA-N 480.553 6.371 50 10 JKGE Cc1ccc(OC/C(O)=C(\C#N)c2nc(-c3ccc(Br)cc3)cs2)c(C(C)(C)C)c1 1872746742 WANIYLFXDJDGSD-UZYVYHOESA-N 483.431 7.050 50 10 JKGE N#C/C(=C(/O)CNC(=O)c1ccc(Cl)cc1Cl)c1nc(-c2c[nH]c3ccccc23)cs1 1872753020 DLGKVQROKLZTTD-HKWRFOASSA-N 469.353 5.821 50 10 JKGE CCCCc1ccc(N2C[C@@H](/C(O)=C(\C#N)c3nc(-c4ccc(F)cc4)cs3)CC2=O)cc1 1872753072 GLFVVWQBMPRFPM-NWIBBQCFSA-N 461.562 6.138 50 10 JKGE COc1cc(C)c(-c2csc(/C(C#N)=C(\O)[C@@H](C)Oc3ccccc3C(C)C)n2)cc1C(C)C 1872753989 XMTBCHVKZSBXNS-DASRABTFSA-N 476.642 7.634 50 10 JKGE COc1ccc(OCCC/C(O)=C(\C#N)c2nc(-c3cc(Cl)c(OC)c(Cl)c3)cs2)cc1 1872755948 NDGVWITVPSGFEX-FXBPSFAMSA-N 491.396 6.786 50 10 JKGE COc1cc(OC)c(-c2csc(/C(C#N)=C(\O)COc3ccccc3OC)n2)cc1Cl 1872756496 MLUNKCNLJYMUPQ-VKAVYKQESA-N 458.923 5.361 50 10 JKGE CCCCOc1ccc(/C=C(\C#N)c2nc(-c3cc(Cl)c(OC)cc3OC)cs2)cc1OCC 1872793494 COTMLGDCAZXCIV-WOJGMQOQSA-N 499.032 7.122 50 10 JKGE COc1cc(Cl)c(C)cc1-c1csc(/C(C#N)=C/c2ccc(OCc3ccc(C)cc3)cc2)n1 1872794281 SVLAWGJXFHRIJE-LPYMAVHISA-N 487.024 7.732 50 10 JKGE CSCC[C@H](NC(=O)OC(C)(C)C)C(=O)N/N=C/c1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1 1873795030 OBFVSRONWCDFRV-CRXVIZHGSA-N 479.687 5.084 50 10 JKGE Cc1cc(Br)c([C@@H](Cl)c2c(Br)c(C)nn2C)cc1Br 1877175230 LLVFPHCNHSKJIO-GFCCVEGCSA-N 471.418 5.653 50 10 JKGE FC(F)(CBr)[C@@H]1CCN(Cc2c(Br)cccc2Br)C1 1892732463 KAOCFRLMALMCIA-SECBINFHSA-N 461.970 5.064 50 10 JKGE COc1cc(C)c([C@@H](Cl)c2ccc(I)cc2)cc1Br 1901587232 WSSPMEDVUNEJDD-HNNXBMFYSA-N 451.529 5.699 50 10 JKGE CC[C@@H]1CC[C@H]([C@@H](Br)c2c(Br)sc(Br)c2Cl)O1 1911030340 XIPFGGNOJSITDY-ATRFCDNQSA-N 467.448 6.320 50 10 JKGE ClCC1(N(Cc2ccccc2)Cc2c(Br)cccc2Br)CCC1 1915768654 QZLQXIUHOMWODQ-UHFFFAOYSA-N 457.637 6.375 50 10 JKGE Cc1c(Br)sc([C@@H](Br)C2(c3ccccc3)CC2)c1Br 1922888738 SBGSLJXPBKUXEN-CYBMUJFWSA-N 465.048 6.749 50 10 JKGE C[C@H](C[C@@H](Br)c1c(Br)sc(Br)c1Cl)C(C)(C)C 1923050040 PLIYVDBTUMWRFJ-RNFRBKRXSA-N 467.492 7.435 50 10 JKGE Clc1ccc([C@@H](Br)c2c(Br)sc(Br)c2Cl)o1 1923073268 VRQRKIDDXXCTAX-ZCFIWIBFSA-N 469.807 6.657 50 10 JKGE CC(C)[C@H](C)[C@@H](Br)c1c(Br)sc(Br)c1Br 1924576679 RBWCWTDSASVKKU-CAHLUQPWSA-N 483.889 6.764 50 10 JKGE Cc1ccc(Cl)c([C@@H](Br)c2cc(Br)sc2Br)c1 1925524215 NCKAEXIOQVJFNU-LLVKDONJSA-N 459.428 6.719 50 10 JKGE CC1(C)CC[C@H](Br)[C@@H](CNC(=O)c2cc(Br)c(Br)s2)C1 1927057858 JADXDOBSEKCODM-BDAKNGLRSA-N 488.083 5.593 50 10 JKGE COCc1cc(Br)c([C@H](Br)c2cscc2OCc2ccccc2)s1 1950321835 PMYOFCAYMPSTRN-QGZVFWFLSA-N 488.266 6.782 50 10 JKGE Cc1csc([C@H](Cl)c2c(Cl)sc(Br)c2Cl)c1Br 1950882646 VRKVYRWIZSTRLC-ZCFIWIBFSA-N 455.451 7.278 50 10 JKGE Fc1ccc(I)cc1[C@@H](Br)c1sccc1Br 1980670873 ITIHHOZYCCSSEP-SNVBAGLBSA-N 475.946 5.739 50 10 JKGE CN(Cc1ccccc1)[C@H]1CCCN(c2ccc(CBr)c(Br)c2)C1 2003360398 KNMHQFUNPUWFGZ-IBGZPJMESA-N 452.234 5.445 50 10 JKGE Brc1ccccc1[C@@H](Br)Cc1c(Br)cccc1Br 2050533732 UGZIUOIIXIWCAK-AWEZNQCLSA-N 497.850 6.653 50 10 JKGE CC(C)(C)OC(=O)N1CCC(CI)(OC[C@H]2CC23CCCCC3)CC1 2077652455 ZYAQWFUCRGZKNL-MRXNPFEDSA-N 463.400 5.178 50 10 JKGE Cc1ccc(C[C@@H](Br)c2ccc(Br)cc2I)cc1 2086144812 FFDPZUJQIXBSML-CQSZACIVSA-N 479.981 6.041 50 10 JKGE Cc1cc(Br)c([C@@H](Br)C2(C(F)(F)F)CCC2)cc1Br 2087971574 UQVGWUINUDSEAJ-LLVKDONJSA-N 464.945 6.689 50 10 JKGE Clc1cccc(CBr)c1OCc1cccc(Br)c1Br 2092330133 FHDNPNZINOLWSS-UHFFFAOYSA-N 469.398 6.339 50 10 JKGE Cc1c(Cl)cc([C@@H](Br)Cc2ncccc2Br)cc1Br 2111083609 SEDOTIDACPAGHQ-LBPRGKRZSA-N 468.414 6.247 50 10 JKGE CC(C)[C@H](Br)c1cn(-c2c(Br)cc(Cl)cc2Br)nn1 2121065132 YXEUVECANZWKQI-NSHDSACASA-N 472.406 5.538 50 10 JKGE Cc1cc(Br)c(C)c([C@H](Br)C[C@]23CCC[C@@H]2C3)c1Br 2136379670 MXUWICKCPGNBMG-AXAPSJFSSA-N 451.040 6.845 50 10 JKGE Fc1cc(Br)c([C@@H](Cl)c2cccc(OCc3ccccc3)c2)c(F)c1Cl 2136956957 UJUPFULPDIAIFL-SFHVURJKSA-N 458.129 7.288 50 10 JKGE Cc1c(Br)sc([C@H](Br)[C@@H]2C[C@H]3COC[C@H](C3)C2)c1Br 2141800459 RLOFGKIMOWYWMM-FYLLDIAZSA-N 473.068 6.080 50 10 JKGE COc1cc(Br)c(C)cc1[C@@H](Br)c1ccc(F)cc1Br 2145960962 HUGCUZZCZBFPCE-HNNXBMFYSA-N 466.970 6.152 50 10 JKGE COc1ccc(OCc2ccc(Br)cc2Br)c(CBr)c1 2148685912 RPMNKXWSCPYRES-UHFFFAOYSA-N 464.979 5.694 50 10 JKGE ClCc1cc(Cl)cc(Cl)c1OCc1ccc(Br)cc1Br 2148686139 UPFIGQCIDJIWHX-UHFFFAOYSA-N 459.392 6.836 50 10 JKGE COc1ccc([C@@H](Br)c2c(Br)cccc2Br)cc1OC 2150494277 PQBLHZISDNRBEU-OAHLLOKOSA-N 464.979 5.713 50 10 JKGE COc1ccc(COc2c(Br)cc(CBr)cc2Br)cn1 2151943938 AOJQCKDRJLOIMF-UHFFFAOYSA-N 465.967 5.089 50 10 JKGE Clc1csc([C@@H](Br)c2cc3c(cc2Br)OCCO3)c1Cl 2152524246 TXWXTERGACYIMT-NSHDSACASA-N 458.986 6.073 50 10 JKGE Brc1cccc(CN2C[C@H](Br)C3(CCCCC3)C2)c1Br 2174369954 AGGJAYSQONCQFQ-AWEZNQCLSA-N 466.055 5.741 50 10 JKGE Cc1cc(CBr)cc(S(=O)(=O)N(Cc2ccccc2)CC2CCCC2)c1C 2179861831 NEARAUIVONDACG-UHFFFAOYSA-N 450.442 5.579 50 10 JKGE BrCC(CBr)(CC12CCC(CC1)O2)c1ccccc1Br 2191801456 MCJMBPQMHUUZNS-UHFFFAOYSA-N 467.039 5.578 50 10 JKGE CC[C@@]12CC[C@@]([C@H](Br)c3ccc(Br)c(C)c3Br)(CO1)C2 2203682116 CPHDOZNTAFXVRI-PMPSAXMXSA-N 467.039 6.305 50 10 JKGE COc1c(Br)cc(C)cc1[C@@H](Cl)c1ccc(I)c(Cl)c1 2203814530 JNPHPCNPFUKUDY-AWEZNQCLSA-N 485.974 6.352 50 10 JKGE FC[C@@H](Br)Cc1sc(Br)c(Br)c1Br 2209350029 XECYUWPJSALMBO-VKHMYHEASA-N 459.798 5.311 50 10 JKGE CC(F)(F)C(C)(C)[C@H](Br)c1cc(Br)c(Br)cc1F 2218606672 UDLNWCHAGONIMT-SNVBAGLBSA-N 452.934 6.468 50 10 JKGE Cc1sc(Br)c(C)c1[C@H](Br)c1ccc(Cl)c(Br)c1 2218799251 DOVKHAVSNAHCDW-GFCCVEGCSA-N 473.455 7.028 50 10 JKGE CC1(C)[C@H]([C@@H](Br)c2c(Br)cc(Cl)c(Cl)c2Cl)C1(F)F 2224319189 CXZATNDZEIRVBX-XVKPBYJWSA-N 457.367 7.137 50 10 JKGE Cc1ccc([C@H](Br)c2cc(Cl)c(F)cc2C)cc1I 2224630051 WEGHGKADRWELSS-HNNXBMFYSA-N 453.520 6.185 50 10 JKGE Cl[C@H](c1c(Br)sc(Br)c1Br)[C@@H]1OC[C@@H]2CCCC[C@@H]21 2224945424 NFFCADULSDYORV-JRPBRRGXSA-N 493.486 6.521 50 10 JKGE Cc1cc(Br)c([C@H](Br)CC[C@@H]2CC2(C)C)c(C)c1Br 2227361727 GTKXCMJQYOYVHI-VXGBXAGGSA-N 453.056 7.091 50 10 JKGE CC1([C@H](Br)c2cc(Br)sc2Br)CC2(CC(F)(F)C2)C1 2230655769 OQEANAQQXWLUBX-SECBINFHSA-N 479.022 6.925 50 10 JKGE Clc1cc(Cl)cc(C[C@@H](Cl)c2ccc(I)c(Br)c2)c1 2232145292 BGPPRLYGQIZIPG-CYBMUJFWSA-N 490.393 6.883 50 10 JKGE C[C@@H](Cl)c1nc2cc(Br)c(F)cc2n1C[C@H]1CC1(Br)Br 2233042534 XAEKOTNCPGKXLD-RNFRBKRXSA-N 489.408 5.744 50 10 JKGE Cc1cc(Br)c([C@@H](Cl)c2cc(Cl)cc(Cl)c2)c(C)c1Br 2235603065 GWUMNNPUVBXQMJ-HNNXBMFYSA-N 457.420 7.463 50 10 JKGE Cc1cc(Br)c([C@H](Br)C2(C(C)(C)C)CCC2)c(C)c1Br 2235606421 BZBQSCYBRQHOEM-HNNXBMFYSA-N 467.083 7.481 50 10 JKGE COc1cc(Br)c([C@H](Cl)c2cc(Br)cc(Br)c2)cc1C 2236015561 WZDDKZQQPDQFOU-OAHLLOKOSA-N 483.425 6.619 50 10 JKGE Fc1cc(F)c([C@@H](Br)c2cccc(Br)c2Cl)c(F)c1Br 2236109737 NSUHHBKZUSYJHA-JTQLQIEISA-N 493.342 6.767 50 10 JKGE FC(F)(F)Oc1ccc(Cl)cc1[C@H](Br)c1csc(Br)c1 2239629432 UQOJYPWKGDCQKC-LLVKDONJSA-N 450.501 6.547 50 10 JKGE Brc1cc(CNC2CCC2)cc(Br)c1OC[C@@H]1C[C@@H]1Br 2240050740 ZYEDUYFYVXJSOZ-JQWIXIFHSA-N 468.027 5.016 50 10 JKGE CCc1nn(C)c([C@H](Br)c2cc(Br)c(C)cc2Br)c1Cl 2240931652 ZQQCEIAORJIJJY-GFCCVEGCSA-N 485.445 5.954 50 10 JKGE Cc1oc(Br)cc1[C@@H](Br)c1cc2sc(Br)cc2s1 2263629968 HRNBKIOPUCBFJQ-GFCCVEGCSA-N 471.033 6.874 50 10 JKGE Cc1cc(Cl)c(Cl)cc1[C@H](Br)c1cccc(Br)c1Br 2264364439 HUUSKLPLWQCEME-CYBMUJFWSA-N 487.844 7.311 50 10 JKGE Fc1cc(Br)c(F)c(Br)c1[C@@H](Br)c1cccc(Cl)c1 2272737544 DTUNBRRJZFZHNJ-NSHDSACASA-N 475.352 6.628 50 10 JKGE Cc1c([C@H](Cl)Cc2cc(Br)cc(Br)c2)c(Br)nn1C 2277959432 SYNPORLNOAQXSU-LLVKDONJSA-N 471.418 5.539 50 10 JKGE O=[N+]([O-])c1ccccc1C[C@H](Br)c1c(F)cccc1I 2282774892 MXPXZDXRNLSPDV-JTQLQIEISA-N 450.045 5.017 50 10 JKGE CCOC(=O)C(C#N)=C1S[C@@H](Cc2cc(Cl)ccc2Cl)C(=O)N1c1ccc(F)cc1 2293039286 YCHRCQNRSWEONM-SFHVURJKSA-N 465.333 5.122 50 10 JKGE Cc1ccc(NC(=O)C(C#N)=Cc2cc(C)n(-c3sc4c(c3C#N)CCCC4)c2C)cc1Cl 2294171810 ACKRCKYBSFCZJR-UHFFFAOYSA-N 475.017 6.414 50 10 JKGE COc1c(Br)cc([C@H](Br)c2cc(Br)co2)c(OC)c1C 2295416926 OFMOMASMPOPVEF-LBPRGKRZSA-N 468.967 5.615 50 10 JKGE CCOC(=O)c1c(-c2ccc(C)cc2)csc1NC(=O)C(C#N)=Cc1ccc(-c2ccccc2)o1 2295872388 ZUYFBSBKDDQULF-UHFFFAOYSA-N 482.561 6.706 50 10 JKGE Cc1cc([N+](=O)[O-])ccc1-c1ccc(C=C(C#N)C(=O)Nc2ccc([N+](=O)[O-])cc2C(F)(F)F)o1 2297551671 YERWLMKIQNWHIH-UHFFFAOYSA-N 486.362 5.636 50 10 JKGE CCOc1cc(C=C(C#N)C(=O)N2CCN(c3ccccc3)CC2)ccc1OCc1ccc(F)cc1 2313565327 QZKBEIVHUIBAPA-UHFFFAOYSA-N 485.559 5.059 50 10 JKGE C=CCc1cc(C=C(C#N)C(=O)N2CCN(c3ccccc3)CC2)ccc1OCc1ccccc1C#N 2313567500 KMKNQNYJMPPBGC-UHFFFAOYSA-N 488.591 5.122 50 10 JKGE N#CC(=Cc1cc(Br)ccc1OCc1cccc(Cl)c1)C(=O)Nc1ccccc1F 2313630727 FSEBJVSFOVZJOM-UHFFFAOYSA-N 485.740 6.366 50 10 JKGE FCC12CC([C@@H](Br)c3cc(Br)ccc3OCc3ccccc3)(CO1)C2 2314493824 FLUYZLQCXSVDRM-HDYDNRTBSA-N 470.176 5.983 50 10 JKGE Brc1cc(OCc2ccccc2)ccc1[C@H](Br)C1[C@@H]2CCCCC[C@@H]12 2314499518 DEXJZOXCZBBYLW-HMFYCAOWSA-N 464.241 7.290 50 10 JKGE CCOc1cccc(-c2nn(-c3ccccc3)cc2C=C(C#N)C(=O)N[C@H](C)c2ccccc2)c1 2314522485 KZZCXJSFNCOOAD-OAQYLSRUSA-N 462.553 5.722 50 10 JKGE CCOC(=O)c1c(NC(=O)C(C#N)=Cc2ccc(OC)c(OC(C)C)c2)sc2c1CC[C@H](CC)C2 2314571614 IQAYFTLZBUUCSV-KRWDZBQOSA-N 496.629 5.781 50 10 JKGE CCOc1cc(C=C2C(=O)N([C@@H](C)c3ccccc3)C(=O)C(C#N)=C2C)ccc1OCc1ccccc1 2314618056 GKCNMQAWUGFMOW-QFIPXVFZSA-N 492.575 6.018 50 10 JKGE CC1=C(C#N)C(=O)N(Cc2ccc(F)cc2)C(=O)C1=Cc1ccc(OCc2ccccc2F)cc1 2314620205 MLESFNWOMOGDER-UHFFFAOYSA-N 470.475 5.336 50 10 JKGE N#CC1=C(N)Oc2cc(OC(=O)C=Cc3ccccc3)ccc2[C@@H]1c1cccc(Oc2ccccc2)c1 2314634433 RWFWKEJLCMUXNT-PMERELPUSA-N 486.527 6.316 50 10 JKGE CC(C)(C)OC(=O)N1CCC[C@@H](C(=O)NN=Cc2ccc(OCc3ccccc3Cl)cc2)C1 2321721495 QUCYTGOKCOPBKQ-LJQANCHMSA-N 471.985 5.016 50 10 JKGE C[C@H]1C[C@@H](C)C[C@H](Br)[C@H]1Cc1ccc(I)c(Br)c1 2325176297 VSKPZKHIOIXQSD-URBCHYCLSA-N 486.029 6.042 50 10 JKGE CC(C)(C)[C@@H](CBr)COCc1ccc(I)c(Br)c1 2325387390 XEBXXUPOVCFQIM-NSHDSACASA-N 490.017 5.628 50 10 JKGE COc1cc(C=CC(O)=C(C#N)c2nc(-c3ccc(-c4ccccc4)cc3)cs2)ccc1OC(C)=O 2331231981 XWETUWXFWWPHSU-UHFFFAOYSA-N 494.572 6.917 50 10 JKGE C[C@@H](c1ccccc1)N1C[C@H](C(O)=C(C#N)c2nc(-c3ccc(Cl)cc3Cl)cs2)CC1=O 2331250971 CMEOYVKFMAUABA-GOEBONIOSA-N 484.408 6.519 50 10 JKGE CC(C)c1ccc(-c2csc(C(C#N)=C(O)c3ccc4c(c3)C(=O)N(C(C)(C)C)C4=O)n2)cc1 2331340348 VNPFZMKOKFMZEF-UHFFFAOYSA-N 471.582 6.278 50 10 JKGE C[C@]1([C@@H](Br)c2ccc(OCc3ccccc3)cc2Br)CCCCC1(F)F 2336077076 FECHVUKLNTYEKC-VQTJNVASSA-N 488.210 7.680 50 10 JKGE Fc1ccc(C(F)F)c([C@@H](Br)c2sc(Br)cc2Br)c1 2338359492 HJKCIDAAMPNZMI-SNVBAGLBSA-N 478.953 6.834 50 10 JKGE C=CC[C@@]1(CBr)CCN(Cc2ccc(Cl)cc2I)C1 2341035343 PDOCLLVKVPABDV-HNNXBMFYSA-N 454.577 5.108 50 10 JKGE Brc1cc2c(cc1[C@@H](Br)c1csnc1Br)CCCO2 2343584383 OUSBUFIRAOMESF-GFCCVEGCSA-N 468.008 5.477 50 10 JKGE ClC[C@@H]1CCC[C@H](CNCc2ccc(I)c(Br)c2)C1 2349842508 OJDXMPMIPBYVEC-NEPJUHHUSA-N 456.593 5.189 50 10 JKGE Fc1cc(Cl)c(Br)c(Cl)c1[C@@H](Cl)c1c(Cl)cccc1Br 2360482880 CTUXRMVFKPUTIA-LBPRGKRZSA-N 481.801 7.639 50 10 JKGE CN(c1cc(Cl)c(F)cc1CBr)[C@@H]1C[C@@H]2C[C@@H](OCc3ccccc3)C[C@H]21 2362382823 JEKFUXBHFTZOGX-VXCZRNDOSA-N 452.795 6.194 50 10 JKGE CN(c1cc(Cl)c(F)cc1CBr)[C@H]1C[C@@H]2C[C@H](OCc3ccccc3)C[C@H]12 2362388145 JEKFUXBHFTZOGX-JVGYHMDPSA-N 452.795 6.194 50 10 JKGE COc1cc(C)c([C@H](Br)c2c(Br)nc(C)n2C)cc1Br 2362485001 APFZNKVBGJCSQW-LBPRGKRZSA-N 466.999 5.055 50 10 JKGE Cc1cc(Br)c([C@H](Br)[C@H]2COC3(C)CC2C3)c(C)c1Br 2362900311 KERJEXXNVYHGFY-GULOTPMNSA-N 467.039 6.080 50 10 JKGE CCCc1sc(Br)cc1[C@H](Br)Cc1c(Cl)cccc1Cl 2363264180 CYRQOBJVYIVIAI-LLVKDONJSA-N 457.058 7.449 50 10 JKGE COc1cc(F)c(Br)cc1[C@H](Cl)c1c(Br)c(Br)nn1C 2364234098 HWTSEYKJVNUXTB-JTQLQIEISA-N 491.380 5.184 50 10 JKGE O=C(NC1(CCBr)CCCCC1)c1ccc(Cl)cc1I 2365592987 QTWTUKPGGAMSBA-UHFFFAOYSA-N 470.576 5.162 50 10 JKGE Clc1cc(Cl)cc(CC[C@H](Cl)c2cc(Cl)ccc2I)c1 2366898841 YDSOKNHDVFBHEC-AWEZNQCLSA-N 459.969 7.164 50 10 JKGE BrC[C@@H]1C[C@@H]2C[C@H](C1)CN(Cc1c(Br)cccc1Br)C2 2369265201 KQEQEBMWVLEBHE-XYYAHUGASA-N 466.055 5.455 50 10 JKGE ClC[C@@H]1C[C@@H]2CCCC[C@H]2N1Cc1ccc(I)c(Br)c1 2377352913 DSJTVUIYQXYRKW-HEHGZKQESA-N 468.604 5.426 50 10 JKGE Cc1cc(Br)c(C(C)C)cc1[C@@H](Cl)c1cnn(C)c1I 2380939814 OQESHDATQPHLOH-CQSZACIVSA-N 467.576 5.547 50 10 JKGE COc1ccc(N(C(=O)CCl)[C@@H](C(=O)NC2CCCCC2)c2ccc(Cl)cc2)cc1Cl 3035268 ZOJSPGOPNADMNB-JOCHJYFZSA-N 483.823 5.764 50 10 JKGE CCOc1cc(/C=C(/C#N)C(=O)Nc2ccc([N+](=O)[O-])cc2C)ccc1OCc1ccc(F)cc1 6600600 HXPMZKZZXBIANO-MOSHPQCFSA-N 475.476 5.566 50 10 JKGE Cc1ccc(CS/C(Nc2cccc(Cl)c2)=C(\C#N)S(=O)(=O)c2ccccc2)cc1 20325646 YJLYFFGSZDCCEV-GHVJWSGMSA-N 455.004 6.160 50 10 JKGE Cc1ccc(NC(=O)/C(C#N)=C2/S[C@@H](Cc3cccc(C)c3)C(=O)N2c2ccc(Cl)cc2)cc1 33383669 RHMMGHYHAGRFQW-BSSRNLCFSA-N 488.012 6.022 50 10 JKGE CCCOc1ccc(Br)cc1/C=C(/C#N)C(=O)c1c(C)[nH]c(C)c1C(=O)OCC 33502313 OZTVSYVPTOCOAZ-YBEGLDIGSA-N 459.340 5.149 50 10 JKGE N#C/C(=C\c1c(Cl)cccc1Cl)c1ccc(/C(C#N)=C\c2c(Cl)cccc2Cl)cc1 33596760 UBWXHPZAORHBHO-MJZABRMRSA-N 470.186 8.429 50 10 JKGE Cc1ccc(S(=O)(=O)/C(C#N)=C\c2cn(-c3ccccc3)nc2C23CC4CC(CC(C4)C2)C3)cc1 35447073 MRQCYUVWNFDABV-VYYCAZPPSA-N 483.637 5.987 50 10 JKGE CC(C)c1ccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)[C@H](C)Oc4ccccc4F)ccc32)cc1 38649533 LECCSBQRPRWUJM-QLXKLKPCSA-N 472.516 5.540 50 10 JKGE CC(C)CCOc1cccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)COc4ccccc4)ccc32)c1 38684634 FTYQXCKEFHRUMJ-NDEPHWFRSA-N 484.552 5.314 50 10 JKGE CCCCOc1cccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4ccc(C)cc4)ccc32)c1 38685035 QMMUYMFNVZMSTR-SANMLTNESA-N 454.526 5.611 50 10 JKGE Cc1cc(Oc2ncnc(NNC(=O)C(c3ccccc3)c3ccccc3)c2[N+](=O)[O-])ccc1Cl 40659362 LZVOWFFSPKYNHY-UHFFFAOYSA-N 489.919 5.414 50 10 JKGE Cc1ccccc1C(=O)N/N=C1\CCCc2oc(C(=O)N3c4ccc(F)cc4CC[C@H]3C)c(C)c21 40811476 ONGLZJCEEGTFQU-XKXFLAFKSA-N 473.548 5.487 50 10 JKGE Cc1c(C(=O)Nc2nc3ccccc3s2)oc2c1/C(=N/NC(=O)c1ccccc1Cl)CCC2 40812676 DRQFXQBHZCCHNO-OGLMXYFKSA-N 478.961 5.574 50 10 JKGE CC(C)(C)CC(C)(C)c1ccc(OCC(=O)NNC(=O)COc2ccc(Cl)cc2Cl)cc1 40844449 QLUXYHNHFVLNCI-UHFFFAOYSA-N 481.420 5.312 50 10 JKGE CCc1cc(Br)ccc1OCC(=O)N/N=C/c1ccc(OCc2ccccc2)cc1 40959813 WGARYGGSBWOFIN-CVKSISIWSA-N 467.363 5.120 50 10 JKGE CCOc1cc(/C=C(\C#N)C(=O)NCc2ccc(OC)cc2)ccc1OCc1ccccc1Cl 59266475 UOGOLAGRVARNBC-HYARGMPZSA-N 476.960 5.550 50 10 JKGE C/C(=N\NC(=O)COc1ccc(Br)c(C)c1)C(c1ccccc1)c1ccccc1 66202588 JSDQMMARWJCFID-NLRVBDNBSA-N 451.364 5.461 50 10 JKGE Cc1noc(C)c1COC(=O)/C(C#N)=C\c1cc(C)n(-c2ccc(Cl)c(C(F)(F)F)c2)c1C 96447462 SURFVWARTKPKJE-IUXPMGMMSA-N 477.870 6.022 50 10 JKGE CCCCCN1C(=O)C(C#N)=C(C)/C(=C\c2cn(-c3ccccc3)nc2-c2cc(C)ccc2C)C1=O 101333251 CIWDEWGHMNQJFF-YZSQISJMSA-N 478.596 5.939 50 10 JKGE COc1cc([C@@H](Cl)c2cc(Br)sc2Br)cc(OC)c1OC 109825566 CONRTFSCUNTREH-GFCCVEGCSA-N 456.583 5.627 50 10 JKGE Fc1cc(Br)ccc1CC(CBr)(CBr)c1ccccc1F 118878320 SVAGIFKEDHDTAW-UHFFFAOYSA-N 482.988 5.998 50 10 JKGE COc1c(C)cc(Br)c(C)c1[C@H](Br)Cc1cccc(Br)c1 125689541 YGSALSNBGKQUKY-OAHLLOKOSA-N 477.034 6.516 50 10 JKGE Clc1cc([C@@H](Br)c2ccc(I)cc2)sc1Br 127581798 BHRXTHJFDQZHQU-JTQLQIEISA-N 492.401 6.253 50 10 JKGE Cc1cc(Br)c([C@H](Cl)c2ccc(S(C)(=O)=O)cc2)cc1Br 128619119 RSBGPUVWPOKZIK-OAHLLOKOSA-N 452.595 5.252 50 10 JKGE Cc1cc(Br)c([C@H](Br)c2c(F)cccc2Cl)cc1Br 128732133 AHDRZXDJLCDIRP-AWEZNQCLSA-N 471.389 6.797 50 10 JKGE COc1ccc([C@H](Br)c2cc(Br)c(C)cc2Br)cc1F 128826641 CZEXFXURVKAJAT-HNNXBMFYSA-N 466.970 6.152 50 10 JKGE COc1cc([C@@H](Cl)c2cccc(I)c2)c(OC)cc1Br 134292422 FOMUIHRSTOIUCW-HNNXBMFYSA-N 467.528 5.399 50 10 JKGE Clc1cccc(CO[C@@H](CI)c2cccc(Br)c2)c1 162434469 QHNBRYTXBMCPJV-HNNXBMFYSA-N 451.529 5.795 50 10 JKGE COc1cc(CBr)cc(Br)c1OCc1cncc(Br)c1 167175231 WECASVUCHWBBIZ-UHFFFAOYSA-N 465.967 5.089 50 10 JKGE Brc1cc([C@H](Br)[C@@H]2CC[C@@H]3CCCC[C@@H]3C2)c(Br)s1 168226905 MKPNOCUQRWMYKX-ICUOPCATSA-N 471.096 7.316 50 10 JKGE C[C@H]([C@H]1CCC[C@@H]1P(c1ccccc1)c1ccccc1)P(c1ccccc1)c1ccccc1 201046014 YKWKRSUMPSPUSZ-NSQROVRMSA-N 466.545 6.809 50 10 JKGE COCCOc1ccc([C@H](Cl)c2cccc(I)c2)cc1Br 229011944 KRVDNALGSYIZPW-MRXNPFEDSA-N 481.555 5.407 50 10 JKGE Brc1ccc(I)cc1[C@@H](Br)c1ccc2c(c1)CCO2 232484811 QFUKCBFUBBCRHB-HNNXBMFYSA-N 493.964 5.473 50 10 JKGE COc1cc(F)c([C@@H](Cl)c2cc(I)ccc2Br)c(F)c1 234992310 DAPOBHSUJMWDOC-AWEZNQCLSA-N 473.482 5.669 50 10 JKGE C[C@H]1Cc2cc([C@H](Cl)c3cc(Br)ccc3I)ccc2O1 235690621 FBPPPZJLYJRASQ-FVMDXXJSSA-N 463.540 5.705 50 10 JKGE O=C(Nc1cccc(CCl)c1)c1cc(I)ccc1Br 236034055 QVKAXNYSGIECQF-UHFFFAOYSA-N 450.501 5.045 50 10 JKGE Clc1ccc(I)c([C@H](Cl)c2cc(Br)c(Cl)s2)c1 236038220 MIUASRPIHHXDDX-JTQLQIEISA-N 482.395 6.750 50 10 JKGE CCc1nn(C)c2c1nc([C@@H](C)Cl)n2CCCN(Cc1ccccc1)Cc1ccccc1 390551219 XYILDXQBCPVYTA-HXUWFJFHSA-N 450.030 5.725 50 10 JKGE COc1cc([C@H](Br)c2coc(Br)c2)c(OC)cc1Br 394229902 MCRNUYZEFATCEU-CYBMUJFWSA-N 454.940 5.306 50 10 JKGE CC(C)(C)[Si](C)(C)O[C@@H]1CC[C@](C#N)(c2ccc(NC(=O)c3cccnc3Cl)cc2)C1 504690499 VRPKAEQBFBJBHN-DVECYGJZSA-N 456.062 6.323 50 10 JKGE CC(C)(C)[Si](C)(C)OCc1cccc([C@@H]2COCCN(S(=O)(=O)c3ccccc3)C2)c1 616595372 VZHBBHKTVMHADS-QFIPXVFZSA-N 461.700 5.013 50 10 JKGE Brc1cc2c(cc1[C@H](Br)c1occc1Br)OCCCO2 696536023 QRQJMFMEVSHOJA-ZDUSSCGKSA-N 466.951 5.450 50 10 JKGE ClCCc1nc2cncc(Cl)c2n1CC1(N(Cc2ccccc2)Cc2ccccc2)COC1 705612166 VHXLFUCTPXQFDU-UHFFFAOYSA-N 481.427 5.337 50 10 JKGE COCc1cc(Br)c([C@H](Br)c2cccc(C)c2Br)s1 710896491 BHOJDPWCPLEERT-CYBMUJFWSA-N 469.036 6.212 50 10 JKGE Cl[C@@H](Cc1nc2ccccc2o1)c1ccc(I)c(Br)c1 721576326 FCZUVYCLJHLEPC-NSHDSACASA-N 462.512 5.718 50 10 JKGE COc1ccc(C(=O)Oc2ccc(/C=C(/C#N)C(=O)Nc3ccc(Cl)cc3)cc2OC)cc1 1084417727 XQFUEUWIONOSGR-AQTBWJFISA-N 462.889 5.122 50 10 JKGE CCOc1cc(C=NNC(=O)c2ccc(OC)cc2)ccc1OCc1cccc2ccccc12 1084566093 XAQMWXMVVHDJAK-UHFFFAOYSA-N 454.526 5.590 50 10 JKGE ClCc1cc(-c2cccc(I)c2)nn1-c1ccc(Cl)cc1Cl 1614820623 DMLAXEKEWYRGOV-UHFFFAOYSA-N 463.533 6.190 50 10 JKGE CCCOc1ccc(-c2nc3ccc(C(=O)Nc4ccc(SC#N)cc4)cc3[nH]2)cc1OC 1861860320 WBVBWDUCUVOZEI-UHFFFAOYSA-N 458.543 5.853 50 10 JKGE CCCc1nn(Cc2cccc(F)c2)c2c1[C@@H](c1ccc(OCC)c(OCC)c1)C(C#N)=C(N)O2 1865690008 YYBOSZIURKIEIR-DEOSSOPVSA-N 476.552 5.039 50 10 JKGE COc1ccc(OC)c([C@@H]2C(C#N)=C(N)Oc3c2c(-c2ccccc2)nn3-c2ccc(Cl)cc2)c1 1865691744 AAALVGNGHGQVCT-HSZRJFAPSA-N 484.943 5.428 50 10 JKGE C[C@@H]1Cc2ccccc2N(c2cc(Nc3ccc(SC#N)cc3)nc(-c3ccccc3Cl)n2)C1 1868415314 XUDBDYPCHKYTDT-GOSISDBHSA-N 484.028 7.444 50 10 JKGE CC(C)(C)c1csc(/C(C#N)=C(\O)c2ccc(N3COc4ccc5ccccc5c4C3)cc2)n1 1872747778 TVHZMTBFVMVICH-ROMGYVFFSA-N 467.594 6.900 50 10 JKGE CCCCCCOc1ccc(/C(O)=C(\C#N)c2nc(-c3ccc(Cl)c(Cl)c3)cs2)cc1 1872748635 GPWAHNQVKLBHKD-NMWGTECJSA-N 473.425 8.026 50 10 JKGE N#C/C(=C(/O)CN1C(=O)COc2ccc(Cl)cc21)c1nc(-c2ccc(Cl)c(Cl)c2)cs1 1872749181 GAFQDTKHAQETRL-AQTBWJFISA-N 492.771 5.989 50 10 JKGE CCc1cccc(CC)c1N1C[C@H](/C(O)=C(\C#N)c2nc(-c3ccc(F)c(C)c3)cs2)CC1=O 1872749783 IFVHKGWSSZTELX-FLKYFCFGSA-N 475.589 6.228 50 10 JKGE CCCCCCCOc1ccc(-c2csc(/C(C#N)=C(\O)c3ccc(N(C)C)cc3)n2)cc1 1872753120 IBZGEMSSOHWSHY-LCUIJRPUSA-N 461.631 7.175 50 10 JKGE COc1c(Cl)ccc(Cl)c1/C(O)=C(\C#N)c1nc(-c2cc(C(C)(C)C)ccc2C)cs1 1872755853 JJDHBOVCNNGLLF-PGMHBOJBSA-N 473.425 7.681 50 10 JKGE COc1ccc(-c2csc(/C(C#N)=C(\O)[C@@H](C(C)C)N3C(=O)c4ccccc4C3=O)n2)cc1Cl 1872757835 YECVTOVJMZJWDK-DGNXNODXSA-N 493.972 5.586 50 10 JKGE COc1ccc(Cl)cc1-c1csc(/C(C#N)=C(\O)CCCOc2c(C)cccc2C)n1 1872758871 UVOWSARTNWRQFT-VZCXRCSSSA-N 454.979 6.741 50 10 JKGE C=CCOc1ccccc1/C=C(\C#N)c1nc(-c2ccc(OCCC)c(OCCC)c2)cs1 1872790271 WRQCSEWBURSYNX-CJLVFECKSA-N 460.599 7.017 50 10 JKGE CCCCOc1ccc(/C=C(\C#N)c2nc(-c3cc(C(C)(C)C)ccc3OC)cs2)cc1OC 1872793209 NJYRFAIGDJXOPB-XSFVSMFZSA-N 476.642 7.368 50 10 JKGE COc1cc(/C=N/NC(=O)c2ccc3[nH]c4c(c3c2)CCCC4)ccc1OCc1cccc(Cl)c1 1873498604 XRHZGDLQLZXPBW-OKCVXOCRSA-N 487.987 6.052 50 10 JKGE CCCCCCCCCOc1ccc(/C=N/NC(=O)[C@@H](NC(=O)OC(C)(C)C)C(C)C)cc1Cl 1873795638 VAIHPKBQJBQVHY-RCCHARBYSA-N 496.092 6.469 50 10 JKGE Cc1cc(Br)c(C(=O)N(CCCBr)Cc2ccccc2)cc1Cl 1914642538 BQGRDHLIODNXNI-UHFFFAOYSA-N 459.609 5.838 50 10 JKGE CC1(C)C2CCC1([C@H](Br)c1sc(Br)cc1Br)CC2 1922892429 AHNUOOYJCAXLGN-YEMQSEFVSA-N 457.069 6.926 50 10 JKGE COc1cccc(F)c1[C@H](Br)c1sc(Br)c(C)c1Br 1922901002 KXJGVYDQGNCFCG-NSHDSACASA-N 472.999 6.214 50 10 JKGE CC(C)(C)c1cccc([C@@H](Cl)c2c(Br)sc(Br)c2Cl)c1 1923055149 PPNHGWCIAOWYEB-LLVKDONJSA-N 457.058 7.552 50 10 JKGE C[C@]1([C@H](Cl)c2c(Br)sc(Br)c2Br)CCOC1 1924612231 KPENDZUMCJEXFK-XCBNKYQSSA-N 453.421 5.742 50 10 JKGE C[C@@H]1CCCC[C@H]1[C@@H](Cl)c1c(Br)sc(Br)c1Br 1924612538 CCERGHZHOZUFDJ-BRDIYROLSA-N 465.476 7.142 50 10 JKGE C[C@@H](CCBr)N(Cc1ccccc1)C(=O)c1cscc1OCc1ccccc1 1934836191 OWYXSWCJRPPTGQ-SFHVURJKSA-N 458.421 6.143 50 10 JKGE Clc1sc(Br)c(Cl)c1[C@H](Br)C1(Br)CCC1 1960907406 VISHBTOXMZJWFG-LURJTMIESA-N 457.840 6.571 50 10 JKGE Brc1sc(Br)c([C@@H](Br)CCC2CCC2)c1Br 1976930020 ZDEWJKQUADOKOM-ZETCQYMHSA-N 495.900 7.052 50 10 JKGE Cc1sc(Br)c([C@H](Br)c2csc(I)c2)c1C 1993989448 PHUZHYOOMJJJFV-SNVBAGLBSA-N 492.039 6.278 50 10 JKGE CCN[C@@H](c1c(Br)sc(Br)c1Cl)[C@H]1C[C@@H](Br)C1 2020162742 XVCZVQICRBNGPK-QIOHGKGESA-N 466.464 5.751 50 10 JKGE N#CC(=C(Cl)c1cc(Br)ccc1I)c1cscn1 2035095962 LXAATMAZLROQBD-UHFFFAOYSA-N 451.514 5.141 50 10 JKGE CC1(C)CCC[C@H]([C@@H](Br)c2cc(Br)sc2Br)CC1 2039364436 XUWIHNQKKDPFNX-JOYOIKCWSA-N 459.085 7.316 50 10 JKGE CC12CC([C@H](Cl)c3c(Br)sc(Br)c3Br)(CCO1)C2 2046403184 JWMFBMMSDCQNTQ-HUUUCTMMSA-N 479.459 6.275 50 10 JKGE FC(F)(F)c1c(I)c(CBr)nn1-c1cc(C2CCC2)ccn1 2078924154 SWELTILKXHALEV-UHFFFAOYSA-N 486.073 5.053 50 10 JKGE Fc1ccc([C@H](Br)c2cc3sccc3s2)c(I)c1 2084760135 PNRPRCJMBQNFQE-ZDUSSCGKSA-N 453.139 6.191 50 10 JKGE CC(C)(C)n1c(CBr)nnc1-c1cccc(Br)c1Br 2092337674 LCKYOPVBJPTCTH-UHFFFAOYSA-N 451.988 5.120 50 10 JKGE C[C@H]1CCC[C@H]1CC(CBr)(CBr)c1ccccc1Br 2093454813 RJDFKPDWGMDHLD-STQMWFEESA-N 453.056 6.303 50 10 JKGE CCc1nn(-c2ccc(CBr)cc2Br)c(CC)c1I 2093918561 UQYBSTPDPGASEP-UHFFFAOYSA-N 498.000 5.259 50 10 JKGE C[C@H](N(Cc1ccccc1)S(=O)(=O)c1ccc(CCl)c(Br)c1)C(C)(C)C 2095909128 QYYUTWNNIJYQBH-HNNXBMFYSA-N 458.849 5.813 50 10 JKGE Fc1cc(Cl)c(Br)cc1[C@H](Br)c1c(Cl)cccc1Br 2113163834 BZDQNFROZVYVPW-ZDUSSCGKSA-N 491.807 7.142 50 10 JKGE CC(C)(C)CN(Cc1ccccc1)S(=O)(=O)c1cc(F)c(Cl)c(CBr)c1 2123268187 KQXARRHJTVAQQO-UHFFFAOYSA-N 462.812 5.611 50 10 JKGE Cc1cc(Br)c(C)c([C@H](Br)[C@H]2[C@H]3COCC[C@H]32)c1Br 2136375396 VATQIABZAOBZIY-JLBHGKSJSA-N 453.012 5.547 50 10 JKGE CC[C@@H]([C@H](Br)c1c(C)c(Br)cc(C)c1Br)C(C)(F)F 2136376692 IGKVZVCCGXKMRL-ZANVPECISA-N 462.998 6.946 50 10 JKGE Cc1oc(Br)cc1[C@H](Br)c1c(Br)cc(F)c(Cl)c1F 2136958390 JFKHDMKDQBVICF-JTQLQIEISA-N 479.340 6.529 50 10 JKGE Cc1cc(Cl)c(Br)cc1[C@H](Br)c1cccc(F)c1Br 2137643180 PNUFIFCYGPKEFJ-CYBMUJFWSA-N 471.389 6.797 50 10 JKGE BrCCC[C@H]1CCCCN1Cc1cc(Br)ccc1Br 2141700176 CUKNXFPECIFEAR-CQSZACIVSA-N 454.044 5.741 50 10 JKGE CC1(C)C[C@](C)(CBr)CN1Cc1ccc(I)c(Cl)c1 2142943375 LUZWJQJZAWSOHT-OAHLLOKOSA-N 456.593 5.330 50 10 JKGE Cc1c(Br)cccc1CC(CBr)(CBr)C1CCCCC1 2143688993 VVTWTQUCVBGZJI-UHFFFAOYSA-N 467.083 6.657 50 10 JKGE ClCc1nc2cc(Br)c(Cl)cc2n1[C@@H]1CCOC[C@@H]1OCc1ccccc1 2159868109 ZUHGYWRQPJEGAC-MJGOQNOKSA-N 470.194 5.738 50 10 JKGE CN(Cc1ccccc1)CC(C)(C)n1c(CCCl)nc2cc(Br)c(Cl)cc21 2159874495 OUXDUBOOTHQPPD-UHFFFAOYSA-N 469.254 6.101 50 10 JKGE FC1(F)CN(Cc2ccccc2)CCCCN(c2c(Cl)cccc2CBr)C1 2164874710 DJMNGMLGEKCUAB-UHFFFAOYSA-N 457.790 5.973 50 10 JKGE CCOc1ccc([C@H](Br)c2c(Cl)cccc2Br)c(Br)c1 2169465160 RVNRPZUIOTUQBF-HNNXBMFYSA-N 483.425 6.748 50 10 JKGE COc1cc(F)c(Br)cc1[C@@H](Cl)c1cc(I)ccc1F 2169668492 QMBAJWIQUDKENE-AWEZNQCLSA-N 473.482 5.669 50 10 JKGE Cc1cc(Br)c(C)c([C@H](Br)[C@H]2CCCCC2(C)C)c1Br 2201073408 ZZIIBWJAZDKVGE-MLGOLLRUSA-N 467.083 7.481 50 10 JKGE Cc1ccc(I)c(C(=O)N(Cc2ccccc2)[C@H](CBr)C2CC2)c1 2217394139 JNYKAHJHTPTNNC-LJQANCHMSA-N 498.202 5.416 50 10 JKGE Cc1sc(Br)c(C)c1[C@@H](Br)c1nn(C)c(Br)c1C 2218797873 IAFGYLOOQRNHJR-SECBINFHSA-N 457.029 5.416 50 10 JKGE Cc1sc(Br)c(C)c1[C@@H](Br)c1c(F)cccc1Br 2218801279 SUHFKKWBZQCBSB-GFCCVEGCSA-N 457.000 6.513 50 10 JKGE CCN[C@H](c1c(Br)cc(Cl)c(Cl)c1Cl)[C@H]1C[C@H](Br)C1 2224322730 PUTBOOPSRULJND-MREMCGJQSA-N 450.429 6.233 50 10 JKGE COc1cc(F)ccc1[C@@H](Br)c1cc(Br)ccc1Br 2225627821 BKFPASSLPUKJKW-CQSZACIVSA-N 452.943 5.844 50 10 JKGE CC(C)(C)OC(=O)N1CCC[C@@](CI)(OC2CCC(C(F)(F)F)CC2)C1 2231401397 UKELERWDDAAPLU-KVULBXGLSA-N 491.332 5.329 50 10 JKGE Fc1ccc([C@H](Br)Cc2cc(Cl)cc(Cl)c2)c(I)c1 2232145382 CKUODVAWOYWTLB-CYBMUJFWSA-N 473.938 6.416 50 10 JKGE CCOCc1cc(Br)c([C@@H](Br)c2c(Cl)cccc2Cl)s1 2233017042 MFINGASSMWTGBN-ZDUSSCGKSA-N 459.030 6.838 50 10 JKGE C[C@@H](Cl)c1nc2cc(Br)c(Br)cc2n1CC1SCCS1 2234060432 XQBLMSXDVPEUAK-SSDOTTSWSA-N 456.656 5.667 50 10 JKGE COc1c(C)cc(Br)c(C)c1[C@@H](Br)c1scc(Br)c1C 2234518755 ZNTGODHLHFJCFO-CYBMUJFWSA-N 483.063 6.691 50 10 JKGE Brc1cc(Br)cc([C@H](Br)c2ccc([C@@H]3CCOC3)s2)c1 2240426721 LQBJWGJYKRWFRH-PSLIRLAXSA-N 481.047 6.261 50 10 JKGE Fc1cccc(I)c1[C@@H](Br)c1ccc(Br)s1 2243439413 GTIFDHRLBDJBGS-NSHDSACASA-N 475.946 5.739 50 10 JKGE CCc1cc([C@@H](Cl)c2cc(Br)c(Br)s2)sc1Br 2248052408 ARZHIFPZTDXGFG-SECBINFHSA-N 479.484 6.988 50 10 JKGE COc1c(Br)cc(Cl)cc1[C@@H](Br)c1ncsc1Br 2253402956 KQZCEWDBSAYARB-MRVPVSSYSA-N 476.415 5.814 50 10 JKGE Cc1c(Br)cccc1CO[C@@]1(CBr)CCCN(C(=O)OC(C)(C)C)C1 2256388424 IMFPOVKZHOUTJX-LJQANCHMSA-N 477.237 5.439 50 10 JKGE Clc1cc(Oc2cc(I)ccc2Cl)ccc1CBr 2259930625 RZUZXKZJRFMJRR-UHFFFAOYSA-N 457.920 6.285 50 10 JKGE Cc1cc(Br)c([C@H](Br)c2ccc(I)cc2)c(C)c1F 2264470532 HCRJNEPLMNCMPD-CQSZACIVSA-N 497.971 6.294 50 10 JKGE C=CC[C@]1(CBr)CCN(Cc2cccc(Br)c2Br)C1 2272129523 WJRLBLQPJNRORL-OAHLLOKOSA-N 452.028 5.375 50 10 JKGE COCC1([C@H](Br)c2sc(Br)c(C)c2Br)CC(F)(F)C1 2278207049 CCVSAOQRRGDXBV-SECBINFHSA-N 483.010 6.079 50 10 JKGE COc1ccc([C@H](Br)c2cccc(Br)c2Br)c(OC)c1 2287084973 VJNONKOPMFAZBP-AWEZNQCLSA-N 464.979 5.713 50 10 JKGE FC1CC2(C1)CC(CO[C@@H](CI)c1cccc(Br)c1)C2 2288342156 FPABKCYGPXFURF-PUPBTHHNSA-N 453.133 5.470 50 10 JKGE N#CC(C(=O)NCc1ccccc1)=C1S[C@H](Cc2ccccc2)C(=O)N1c1ccc(Cl)cc1 2293039166 KJQCBCHYCFPONY-HSZRJFAPSA-N 473.985 5.083 50 10 JKGE Cc1ccccc1C[C@@H]1SC(=C(C#N)C(=O)Nc2ccc(Cl)cc2)N(c2ccc(F)cc2)C1=O 2293198192 GTWDTRRZWTWDRP-QHCPKHFHSA-N 491.975 5.853 50 10 JKGE Fc1ccc(F)c([C@@H](Br)Cc2cc(Br)cc(Br)c2)c1F 2295340130 RLWFGZGKXJLZFL-JTQLQIEISA-N 472.924 6.308 50 10 JKGE CCc1ccc(-c2csc(C(C#N)=CNc3ccccc3I)n2)cc1 2295891533 GKQRAEAJXOPKNS-UHFFFAOYSA-N 457.340 5.954 50 10 JKGE Cl[C@@H](c1c(Br)sc(Br)c1Br)[C@H]1C[C@@H]2CC[C@H]1C2 2298417164 JMQHOTGRXQDVRH-NBBQQVJHSA-N 463.460 6.752 50 10 JKGE Brc1ccc(OCc2ccccc2)c([C@H](Br)[C@@H]2C[C@H]2C2CCC2)c1 2299499769 ZWLLRAOFZQYSEY-WAOWUJCRSA-N 450.214 6.900 50 10 JKGE Cc1sc([C@H](Br)c2sc(Cl)cc2I)c(C)c1C 2300949759 QEGRRBILLMHTSV-JTQLQIEISA-N 461.615 6.477 50 10 JKGE Brc1cc(OCc2ccccc2)ccc1[C@H](Br)[C@H]1O[C@H]2CC[C@H]1C2 2307420580 NMKIEJCEMZCMLZ-QHERXFFYSA-N 452.186 6.032 50 10 JKGE Cc1ccc(NC(=O)C(C#N)=Cc2cc(C)n(-c3ccc(OCc4ccccc4C#N)cc3)c2C)cc1 2313568458 SRIZPPNIPIGJEZ-UHFFFAOYSA-N 486.575 6.399 50 10 JKGE CCc1ccc(NC(=O)C(C#N)=Cc2ccccc2OCc2ccc(Cl)c(Cl)c2)cc1 2313670595 IURWQFRPMGQUJC-UHFFFAOYSA-N 451.353 6.680 50 10 JKGE CSc1ccc([C@@H](Br)c2cc(Br)ccc2OCc2ccccc2)cc1 2314450340 YFQCMKFXINEFGQ-OAQYLSRUSA-N 478.249 7.234 50 10 JKGE N#CC(=Cc1ccccc1OCC(=O)Nc1ccccc1)C(=O)Nc1cc(Cl)cc(Cl)c1 2314489594 SAVVZSLKDGGSEP-UHFFFAOYSA-N 466.324 5.557 50 10 JKGE Cc1c([C@H](Cl)c2cc(Br)ccc2OCc2ccccc2)nn(C)c1Br 2314491685 PEACTPHEDFREST-QGZVFWFLSA-N 484.619 6.161 50 10 JKGE COc1ccc(CN2C(=O)C(=Cc3ccc(-c4ccc(Cl)c(Cl)c4)o3)C(C)=C(C#N)C2=O)cc1 2314617386 XIEJSDWGCKTAAA-UHFFFAOYSA-N 493.346 6.054 50 10 JKGE CCCCOc1ccc(C=C2C(=O)N([C@@H](C)c3ccccc3)C(=O)C(C#N)=C2C)cc1OCC 2314619056 ZEDMNWOJPFVWJW-FQEVSTJZSA-N 458.558 5.618 50 10 JKGE CCCOc1ccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)C=Cc4ccccc4Cl)ccc32)cc1 2314634180 WZOQRRRLSJODGP-MHZLTWQESA-N 486.955 5.966 50 10 JKGE COc1cc(F)ccc1[C@@H](Br)c1sc(Cl)cc1I 2316596375 DQJLHXYRZGDTTM-LLVKDONJSA-N 461.521 5.638 50 10 JKGE Clc1cc(I)c([C@@H](Br)[C@H]2C[C@@H]2c2ccccc2)s1 2316597884 XFGGWATYWPCEMD-NRUUGDAUSA-N 453.570 6.246 50 10 JKGE COCc1ccc([C@H](Br)c2sc(Cl)cc2I)cc1 2316772359 RHKKTATXBRHDIT-LBPRGKRZSA-N 457.558 5.637 50 10 JKGE COc1cc([C@@H](Br)c2c(Cl)sc(Br)c2Cl)sc1Cl 2317954384 BKIVDJDMMZKWIL-ZCFIWIBFSA-N 471.450 7.025 50 10 JKGE Cc1nc(Cc2ccccc2)sc1C(=O)NNC(=O)C=Cc1cccc(OCc2ccccc2)c1 2323424334 UDWHLQRZWXEKRK-UHFFFAOYSA-N 483.593 5.096 50 10 JKGE Cc1ccc(C=C(C#N)C(=O)Nc2c(Br)cc(Br)cc2Br)cc1 2329629400 FEOCUDXRTZMGLX-UHFFFAOYSA-N 499.000 5.828 50 10 JKGE Brc1cc(Br)c([C@@H](Br)[C@@H]2C[C@@H]3CCCCCC[C@@H]32)s1 2329821842 NVTPGBABSJCNHU-DYNIEEOBSA-N 471.096 7.316 50 10 JKGE N#CC(=C(O)[C@@H]1CC(=O)N(Cc2ccccc2)C1)c1nc(-c2ccc3ccccc3c2)cs1 2331237870 NANSNBOPIPNPAR-JOCHJYFZSA-N 451.551 5.805 50 10 JKGE N#CC(=C(O)c1ccccc1C(=O)c1ccccc1)c1nc(-c2ccc(Cl)cc2Cl)cs1 2331250955 BPEJYAOJOROMIO-UHFFFAOYSA-N 477.372 7.298 50 10 JKGE CCCCc1ccc(-c2csc(C(C#N)=C(O)CCN3C(=O)c4ccccc4C3=O)n2)cc1 2331256018 OHWKKJDVNBFHMB-UHFFFAOYSA-N 457.555 5.632 50 10 JKGE CC[C@@H](C)[C@H](C(O)=C(C#N)c1nc(-c2ccc(Cl)s2)cs1)N1C(=O)c2ccccc2C1=O 2331402345 QUBXNBPWCNSUEV-CWTRNNRKSA-N 484.002 6.029 50 10 JKGE CCCCOc1ccc(C=C(C#N)c2nc(-c3cc(Cl)cc(Cl)c3OC)cs2)cc1OC 2331467629 NDSZSDLJAZXGDG-UHFFFAOYSA-N 489.424 7.377 50 10 JKGE C[C@H](C[C@@H](Br)c1c(Cl)cc(Br)c(F)c1Br)C(F)(F)F 2337105258 WBAAACSBOPNRAY-RFZPGFLSSA-N 491.342 7.029 50 10 JKGE CC12CC(C1)[C@H]([C@H](Br)Cc1cc(Br)cc(Br)c1)CO2 2337683611 RIYHALYCTBHJGR-SORUDPMGSA-N 453.012 5.333 50 10 JKGE COc1cc(CCl)cc(Br)c1OCc1sccc1I 2338757665 LHPZRWVVUBTTQO-UHFFFAOYSA-N 473.557 5.442 50 10 JKGE FC1CC2(C1)CC(CBr)(Cc1cc(I)ccc1Cl)C2 2352424678 XDRRZWDJWUEEMM-UHFFFAOYSA-N 457.552 5.781 50 10 JKGE Fc1c(Br)cc(Cl)c([C@@H](Br)[C@H]2O[C@H]3CC[C@H]2C3)c1Br 2352553494 LGSGKTLMEVAFHV-MBAAGQAKSA-N 477.393 6.008 50 10 JKGE Fc1c(Br)cc(Cl)c([C@@H](Br)[C@@H]2CC3(CCC3)CO2)c1Br 2362236991 QYDLTAZTKPTCMY-ONGXEEELSA-N 491.420 6.399 50 10 JKGE CCN(C[C@@](C)(CBr)OCCCCC(F)(F)C(F)(F)F)C(=O)OC(C)(C)C 2362736036 FAIWEHQABIEEOJ-OAHLLOKOSA-N 470.317 5.782 50 10 JKGE FC1(F)[C@H]2CCC[C@@H]1C[C@H]([C@H](Br)c1sc(Cl)cc1I)C2 2364119217 KRNGQYOYDFAOAH-NHRVJRKFSA-N 495.598 6.904 50 10 JKGE COc1c(Br)cc(C)c([C@H](Br)C[C@H]2CC[C@@H]3C[C@@H]32)c1Br 2365192740 XCPRQIAJHNYOQV-WISYIIOYSA-N 467.039 6.401 50 10 JKGE Cc1cc(Br)c(F)c(Br)c1[C@@H](Br)[C@@H]1CC[C@@H]2C[C@H]1CO2 2365198462 ZURMQUKFYNYGSB-WTBMIXGQSA-N 471.002 5.910 50 10 JKGE Cc1cc(Br)c(F)c(Br)c1[C@H](Br)[C@@H]1C[C@H](C)O[C@H](C)C1 2365219401 QJZLLDPVDHJGSK-KEPMVKOISA-N 473.018 6.299 50 10 JKGE COc1cc(Cl)c(CBr)c(N2C[C@H](C)N(Cc3ccccc3)[C@H](C)[C@H]2C)c1 2365814665 GFQNNKDVUMLIFW-GVDBMIGSSA-N 451.836 5.731 50 10 JKGE COc1ccc(OC)c(/C=C(/C#N)c2nc(-c3cc4c(ccc5ccccc54)oc3=O)cs2)c1 16944221 CCLHJBSRJBZUFX-WQRHYEAKSA-N 466.518 6.151 50 10 JKGE N#C/C(=C/c1ccc(OC(=O)c2ccc(S(=O)(=O)N3CCCC3)cc2)cc1)c1cccc(Cl)c1 31901484 QSTYDMAJPFLGJD-JWGURIENSA-N 492.984 5.408 50 10 JKGE N#C/C(=C/c1cccc(OCc2ccc(Br)cc2)c1)S(=O)(=O)c1ccc(Cl)cc1 33378406 KTSBIVLEMGVZCZ-XKZIYDEJSA-N 488.790 6.020 50 10 JKGE COc1ccccc1NC(=O)/C(C#N)=C1/S[C@@H](Cc2cccc(C)c2)C(=O)N1c1ccccc1 34257013 DNMCTGBRSGKUOP-XYZDCVNTSA-N 469.566 5.069 50 10 JKGE CCc1ccc(NC(=O)/C(C#N)=C\c2cn(Cc3ccc(Cl)cc3)nc2-c2ccccc2)cc1 35003792 MLSDGBWCXNIXGO-KQWNVCNZSA-N 466.972 6.360 50 10 JKGE C=CCNC(=O)/C(C#N)=C\c1cn(-c2ccccc2)nc1-c1cccc(OCc2ccccc2)c1 35445982 ZKZLNCJKYNXWFF-ULJHMMPZSA-N 460.537 5.327 50 10 JKGE CCCCOc1cccc(-c2nn(-c3ccccc3)cc2/C=C2/C(=O)N(CCC)C(=O)C(C#N)=C2C)c1 38603439 GFNIHYFDUZRMML-NLRVBDNBSA-N 494.595 5.720 50 10 JKGE COc1ccc(-c2nn(-c3ccccc3)cc2/C=C2/C(=O)N(CC(C)C)C(=O)C(C#N)=C2C)cc1C 38605513 XDITYABHIFNPRI-ZVHZXABRSA-N 480.568 5.105 50 10 JKGE N#CC1=C(N)Oc2cc(OC(=O)c3ccc(Cl)cc3Cl)ccc2[C@H]1c1cccc([N+](=O)[O-])c1 38653658 ZUNANGKYJRUGDW-OAQYLSRUSA-N 482.279 5.339 50 10 JKGE N#CC1=C(N)Oc2cc(OC(=O)c3cccc(Cl)c3)ccc2[C@H]1c1cccc2ccccc12 38657903 WWHBUWRGGVKUGJ-RUZDIDTESA-N 452.897 5.931 50 10 JKGE CCc1ccc(OCC(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@H]3c2ccc(SC)cc2)cc1 38682547 YLPRYLWZKPHIHA-SANMLTNESA-N 472.566 5.173 50 10 JKGE CCCCOc1ccccc1[C@H]1C(C#N)=C(N)Oc2cc(OC(=O)c3ccccc3F)ccc21 38683038 ZQKUFZPTEIENJF-RUZDIDTESA-N 458.489 5.442 50 10 JKGE COc1ccc(/C=C(\C#N)c2nc(-c3ccc(Br)cc3)cs2)cc1OC(C)C 39885218 HYUYBAGRWGFAOE-LICLKQGHSA-N 455.377 6.433 50 10 JKGE CCn1c2ccccc2c2cc(NC(=O)c3oc4c(c3C)/C(=N/NC(=O)c3ccco3)CCC4)ccc21 40814407 OPTRBXUOTFGGBQ-NJZRLIGZSA-N 494.551 6.032 50 10 JKGE CCc1ccc(OC(=O)c2oc3c(c2C)/C(=N/NC(=O)c2ccc4ccccc4n2)CCC3)cc1 40825959 FUYVVCDAGMJZHZ-JBASAIQMSA-N 467.525 5.388 50 10 JKGE CCOc1ccc([C@H](O)CCC(=O)N/N=C\c2ccc(OCc3ccccc3F)c(OCC)c2)cc1 58893326 XAAUMCRQWMKAPL-TZMKENEKSA-N 494.563 5.166 50 10 JKGE Cc1cccc(NC(=O)/C(C#N)=C\c2cc(Br)ccc2OCc2ccc(Cl)cc2)c1 59133271 PEFOUCUUFUDXGA-UNOMPAQXSA-N 481.777 6.536 50 10 JKGE COc1cc(/C=C(\C#N)C(=O)Nc2ccccc2C)ccc1OCc1ccc(Br)cc1 59201577 NWWCPXROTRMWLF-DEDYPNTBSA-N 477.358 5.891 50 10 JKGE N#C/C(=C/c1ccc(COc2ccc(Cl)c(Cl)c2)o1)C(=O)Nc1ccc2c(c1)OCO2 96438638 PTMARTSPRNHUKL-QPEQYQDCSA-N 457.269 5.440 50 10 JKGE C/C(=N\NC(=O)c1ccc(NC(=O)c2cccc([N+](=O)[O-])c2)cc1)c1ccc2ccccc2c1 97729864 HGXPGNRLYFVLJR-OGLMXYFKSA-N 452.470 5.154 50 10 JKGE COc1ccc([C@H](C(=O)NC2CCCCCC2)N(CCC2=CCCCC2)C(=O)CCl)cc1 97914997 QESPYNSGYGOEFB-RUZDIDTESA-N 461.046 5.533 50 10 JKGE Cc1c(C(=O)Nc2cc(Cl)ccc2Oc2ccccc2)oc2c1/C(=N\NC(N)=O)CC(C)(C)C2 101110397 RCNUOKPEWAWYGC-MIXAMLLLSA-N 480.952 5.631 50 10 JKGE Brc1cc([C@@H](Br)c2ccc3c(c2)OCCO3)sc1Br 128268687 ZARMPZIUTGLCGT-LBPRGKRZSA-N 468.992 5.529 50 10 JKGE Cc1cc(Br)c([C@@H](Br)C2CCC(C(C)(C)C)CC2)cc1Br 128834022 CMJAQHJPRHTFFL-FVKWTLKZSA-N 481.110 7.809 50 10 JKGE Cc1ccc2[nH]c(C3CCN(C(=O)NC[C@]4(C)C[C@H](N=C=O)CC(C)(C)C4)CC3)c(C)c2c1 170290693 FVPTYAOXPBGGBH-JIPXPUAJSA-N 450.627 5.595 50 10 JKGE BrCCCCCCCCCCCCCCCCCCCCO[C@@H]1CCCCO1 196497138 VFXREZSPMISCOD-VWLOTQADSA-N 461.569 8.946 50 10 JKGE N#C/C(=C/c1ccc(-c2cccc(C(F)(F)F)c2)o1)c1nc(-c2ccc([N+](=O)[O-])cc2)cs1 209404388 ROMDGBOJNPOHST-WJDWOHSUSA-N 467.428 7.061 50 10 JKGE N#C/C(=C/Nc1ccc(Cl)c(C(F)(F)F)c1)C(=O)NC(c1ccccc1)c1ccccc1 216975004 STMBNBJJLYUNGJ-SDXDJHTJSA-N 455.867 6.084 50 10 JKGE CCCOc1ccc([C@H](Br)c2cc(Br)ccc2F)cc1Br 229007679 JOSJJKOKMOXLSI-INIZCTEOSA-N 480.997 6.624 50 10 JKGE C[C@@H]1CCCC[C@H]1NC(=O)[C@H](c1ccccc1Cl)N(Cc1ccc2c(c1)OCO2)C(=O)CCl 230275248 OXBNZVGDKMBCLD-MYRUOYEDSA-N 491.415 5.072 50 10 JKGE CC(=NNC(=O)Cc1c(F)cccc1Cl)c1ccc(NC(=O)c2ccc(Br)o2)cc1 254490151 OVADVSHNFLHSSI-UHFFFAOYSA-N 492.732 5.170 50 10 JKGE CCC(C)=NNC(=O)c1csc(-n2nc(C(F)(F)F)cc2-c2ccc3ccccc3c2)n1 254520696 QGTUGXGOHVCYBK-UHFFFAOYSA-N 457.481 5.684 50 10 JKGE CC(C)(C)c1ccc(C=NNC(=O)/C(=C/C=C\c2ccccc2)NC(=O)c2ccccc2)cc1 263627318 BQVVILNBHUWDDS-LCEJINMASA-N 451.570 5.462 50 10 JKGE CC(C)[C@H]1CC[C@@H](C)C[C@@H]1O[C@](C)(CI)CNC(=O)OC(C)(C)C 303741197 JBQPTNGPDDKGNV-OAFZBRQQSA-N 453.405 5.182 50 10 JKGE C[C@H]1[C@H](n2c(CCCl)nc3cc(I)c(F)cc32)CCN1Cc1ccccc1 312304774 OJHVOLWPCAEFFS-IFXJQAMLSA-N 497.783 5.397 50 10 JKGE Cc1cc(C)c([C@H](Br)c2ccc(Br)c(Cl)c2)c(C)c1Br 312717823 GCTRUGVNYWXNII-MRXNPFEDSA-N 481.453 7.275 50 10 JKGE O=C(OCc1ccccc1)N1C[C@H](c2ccc(Cl)c(Cl)c2)[C@@H](CI)C1 382706476 FPPGIKWNYBNZPK-JKSUJKDBSA-N 490.168 5.781 50 10 JKGE COc1c(Br)cc(Cl)cc1[C@H](Cl)c1ccccc1OCc1ccccc1 388374369 KZMZFFSKMSDZJP-HXUWFJFHSA-N 452.175 7.018 50 10 JKGE C[C@@H](COCc1ccccc1)Cn1c(CCCl)nc2cc(I)c(F)cc21 390402507 WRGUGYCCQXKBBB-CQSZACIVSA-N 486.756 5.414 50 10 JKGE COc1cc2c(cc1C)nc(CCCl)n2CCCN(Cc1ccccc1)Cc1ccccc1 390468497 GJNIVTKULKHYDW-UHFFFAOYSA-N 462.037 6.227 50 10 JKGE Fc1cc(Br)c([C@@H](Br)c2ccccc2Br)c(F)c1F 398646568 ACBFRRAKHQBDIL-NSHDSACASA-N 458.897 6.113 50 10 JKGE CC(C)(C)OC(=O)NCCN1CCCO[C@@H](c2ccc(CO[Si](C)(C)C(C)(C)C)cc2)C1 616599055 WCTHIYFXDTVQSW-JOCHJYFZSA-N 464.723 5.497 50 10 JKGE CC1(C)C[C@@H](Br)C[C@H](NC(=O)c2cc(Br)c(Br)s2)C1 693812464 DXOUQFGMOUJXFP-YUMQZZPRSA-N 474.056 5.345 50 10 JKGE COc1ccc(OCCCCCCCCCBr)cc1I 712913750 GBHMAKNRHBNABK-UHFFFAOYSA-N 455.174 5.804 50 10 JKGE CCO[C@@H]1CCC[C@H](O[C@@H](CI)c2cccc(Br)c2)C1 721645119 ZWNJJVGSTSJMGT-PMPSAXMXSA-N 453.158 5.290 50 10 JKGE C#CCOc1c(CC=C)cc(C=NNC(=O)c2cc3cc(Br)ccc3o2)cc1OCC 1084065326 LMTPFBGNAWJZKI-UHFFFAOYSA-N 481.346 5.098 50 10 JKGE COc1ccc(C=NNC(=O)COc2ccc3ccccc3c2Br)c2ccccc12 1084357500 GAVQMFMGFKLEMH-UHFFFAOYSA-N 463.331 5.293 50 10 JKGE Cc1c(NC(=O)OC(C)(C)C)cccc1NS(=O)(=O)c1ccc(CBr)cc1 1260510843 TZBSWUGBCKEMJQ-UHFFFAOYSA-N 455.374 5.038 50 10 JKGE FC(F)(F)c1ccc(Br)c([C@@H]2CN(Cc3ccccc3)C[C@@H]2CBr)c1 1614689981 CLQUWVABKHCEDB-WMLDXEAASA-N 477.162 6.078 50 10 JKGE CC1(C)Cc2c(C(=O)NN(C(=O)c3cc(Cl)cc(Cl)c3)C(C)(C)C)ccc(Cl)c2O1 1615948452 AEXJOQCTKICJLI-UHFFFAOYSA-N 469.796 5.946 50 10 JKGE CC1=C(C#N)C(=O)N([C@@H](C)c2ccccc2)C(=O)/C1=C\Nc1ccc(N=Nc2ccccc2)cc1 1772742784 WLTUGLLINNVMEC-USUPDFAZSA-N 461.525 6.368 50 10 JKGE Cc1ccc(C(=O)NN=C2CCCc3oc(C(=O)Nc4ccccc4C(F)(F)F)c(C)c32)cc1 1772744711 GURQICXZNMTFNF-UHFFFAOYSA-N 469.463 5.638 50 10 JKGE CCCCCOc1ccc([C@@H]2C(C#N)=C(N)Oc3c2c(C(F)(F)F)nn3-c2ccccc2)cc1 1865689533 BNOYTJYMHGRZIT-HXUWFJFHSA-N 468.479 5.678 50 10 JKGE CCc1nn(Cc2cccc(F)c2)c2c1[C@H](c1ccc(OC(=O)c3ccccc3)cc1)C(C#N)=C(N)O2 1865705048 KXAIEWQEWKDFGO-RUZDIDTESA-N 494.526 5.070 50 10 JKGE CCCc1nn(Cc2ccc(Cl)cc2)c2c1[C@@H](c1ccc(Cl)c([N+](=O)[O-])c1)C(C#N)=C(N)O2 1865706282 SEPHSCDGXUAJMO-FQEVSTJZSA-N 484.343 5.317 50 10 JKGE COC(=O)c1ccc([C@@H]2C(C#N)=C(N)Oc3c2c(-c2ccccc2)nn3-c2cccc3ccccc23)cc1 1865708882 IHHPQAVQFYMLBT-AREMUKBSSA-N 498.542 5.697 50 10 JKGE COc1ccc([C@H]2C(C#N)=C(N)Oc3c2c(-c2ccccc2)nn3-c2ccccc2Cl)cc1 1865712923 MBHSMMICFBFPTG-QFIPXVFZSA-N 454.917 5.419 50 10 JKGE CCc1nn(Cc2cccc(Cl)c2)c2c1[C@@H](c1ccc(Br)cc1)C(C#N)=C(N)O2 1865714978 SBOKALOUZVNKGY-IBGZPJMESA-N 469.770 5.128 50 10 JKGE Cc1nc(-c2ccc(Cl)cc2Cl)ccc1C(=O)NNC(=O)Cc1ccc(Cl)c(Cl)c1 1865759787 RWALQGJTQJRLDD-UHFFFAOYSA-N 483.182 5.674 50 10 JKGE CCOC(=O)c1c(-c2ccc(Cl)cc2)csc1NC(=O)/C(C#N)=C/c1cccc(Cl)c1 1866129692 GHTVTAYYQDGWJZ-MHWRWJLKSA-N 471.365 6.444 50 10 JKGE N#C/C(=C(/O)[C@@H]1CC(=O)N(Cc2ccccc2)C1)c1nc(-c2ccc(Br)cc2)cs1 1872746378 FHLOATRZUNODRA-LLWUOSFCSA-N 480.387 5.414 50 10 JKGE CC[C@H](C)N1C(=O)c2ccc(/C(O)=C(\C#N)c3nc(-c4ccc(OC)c(C)c4)cs3)cc2C1=O 1872746714 UQVNDGIVZQHPLT-DCBSDEPNSA-N 473.554 5.472 50 10 JKGE CCCOc1ccc(-c2csc(/C(C#N)=C(\O)[C@@H](C)N3C(=O)c4ccccc4C3=O)n2)cc1 1872749600 ZAFWALOMSZDSPJ-BQHWHHKNSA-N 459.527 5.076 50 10 JKGE COc1cc(-c2csc(/C(C#N)=C(\O)c3cc(Cl)ccc3OC)n2)c(OC)cc1Cl 1872754668 DBFBJSWIPZAFMU-ZHZULCJRSA-N 463.342 6.093 50 10 JKGE COc1c(C)cc(C)cc1-c1csc(/C(C#N)=C(\O)CN2C(=O)COc3ccc(Cl)cc32)n1 1872755106 YSBXWBNLOJBTCW-JZJYNLBNSA-N 481.961 5.307 50 10 JKGE CCc1cccc(C)c1N1C[C@@H](/C(O)=C(\C#N)c2nc(-c3ccc(C)c(C)c3)cs2)CC1=O 1872756274 GWNBKWUUVZMFAP-OUJYPELJSA-N 457.599 6.144 50 10 JKGE C=CCOc1ccccc1/C=C(\C#N)c1nc(-c2ccc(OCCCCCCC)cc2)cs1 1872791428 JDFOCQWKLKEISD-LYBHJNIJSA-N 458.627 7.788 50 10 JKGE COc1ccc(OC)c(-c2csc(/C(C#N)=C/c3ccc(OCc4ccccc4)cc3)n2)c1 1872791826 UMIUEWATBGKLGQ-KGENOOAVSA-N 454.551 6.470 50 10 JKGE CSCC[C@H](NC(=O)OC(C)(C)C)C(=O)N/N=C/c1ccc(OCc2ccc(Cl)cc2)cc1 1873793656 VHYBNUNDRWXHEA-YYHBXHNPSA-N 492.041 5.016 50 10 JKGE C[C@]12CO[C@](COc3c(Br)cc(CBr)cc3Br)(C1)C2 1879849644 BAXNZPSBESYUJP-OKILXGFUSA-N 454.984 5.054 50 10 JKGE CC(C)(C)OC(=O)N[C@@H](CBr)Cc1scc(Br)c1Br 1880731036 XSSDCYDEGXWFAX-SSDOTTSWSA-N 478.044 5.104 50 10 JKGE C[C@@H]1C[C@]2([C@H](Br)c3c(Br)sc(Br)c3Br)C[C@H]12 1894454120 KHXKYTZPMCHXDX-BCGRLWLUSA-N 493.884 6.518 50 10 JKGE C[C@@H](Br)CN(Cc1ccccc1)c1ncc(Br)cc1Br 1914634239 RUUWOLADZMQROD-LLVKDONJSA-N 463.011 5.397 50 10 JKGE Cc1sc(Br)cc1S(=O)(=O)N(Cc1ccccc1)[C@@H](CBr)C1CC1 1915168850 BGEUOKKCXLGAKV-HNNXBMFYSA-N 493.286 5.183 50 10 JKGE Cc1nsc(Br)c1C(=O)N(Cc1ccccc1)[C@@H](CBr)C(C)C 1915304591 YISYCWNDVSPJGH-AWEZNQCLSA-N 460.235 5.276 50 10 JKGE CN(C[C@@H](Br)COCc1ccccc1)c1ncc(Br)cc1C(F)(F)F 1916335165 ORJMNNKPLZPLAM-CQSZACIVSA-N 482.138 5.279 50 10 JKGE CN(C[C@H](Cl)COCc1ccccc1)C(=O)c1ccc(Br)c(C(F)(F)F)c1 1916368000 AXTSRRLBGSYDRS-HNNXBMFYSA-N 464.709 5.364 50 10 JKGE Cc1c(Br)sc([C@H](Br)[C@H]2C(F)(F)C23CCCC3)c1Br 1922937041 XJNHEVMMMMRFLA-WCBMZHEXSA-N 479.022 6.843 50 10 JKGE C[C@@H]1C[C@@H]1[C@@H]1C[C@H]1[C@@H](Br)c1c(Br)sc(Br)c1Cl 1923060925 GQGYXLYYXZSZQZ-WENHOLORSA-N 463.460 6.655 50 10 JKGE C[C@H](CC(F)(F)F)[C@@H](Cl)c1c(Br)sc(Br)c1Br 1924605959 ZFAAUFABHRBUCO-AWFVSMACSA-N 479.381 6.904 50 10 JKGE Cn1ncc(Cl)c1[C@H](Cl)c1c(Br)sc(Br)c1Br 1924607970 BMUHIEZSGGSVHB-ZCFIWIBFSA-N 483.838 5.751 50 10 JKGE Clc1c(Br)sc(Br)c1[C@@H](Br)CCC1CCC1 1976928040 DVUJZSHWHXRTCF-ZETCQYMHSA-N 451.449 6.943 50 10 JKGE Cl[C@@H](c1ccc(Br)cc1Br)c1cscc1OCc1ccccc1 1994123257 WYXYKELHNWAYNX-SFHVURJKSA-N 472.629 7.180 50 10 JKGE Cn1cc([C@H](Br)c2c(Cl)sc(Br)c2Cl)c(Br)n1 2005279195 NXCMDRAIRNSIKR-YFKPBYRVSA-N 483.838 5.798 50 10 JKGE Cc1cc(Cl)c(Br)cc1[C@@H](Br)c1nscc1Br 2023703946 GJBVRRCYWHQGKD-SNVBAGLBSA-N 460.416 6.114 50 10 JKGE Clc1c(Br)sc(Br)c1[C@@H](Br)C1COCCOC1 2024260259 RFDDAQFKPKVSEM-ZETCQYMHSA-N 469.420 5.026 50 10 JKGE ClCc1nc(Oc2ccc(Br)cc2Br)ncc1Br 2029315720 OWCDFJAOXQZNRG-UHFFFAOYSA-N 457.347 5.295 50 10 JKGE Cl[C@H](c1c(Br)sc(Br)c1Br)C1[C@H]2CCCCC[C@H]12 2048338743 YXALOONRNQXYQN-HFJPGXAFSA-N 477.487 7.142 50 10 JKGE Clc1ccc([C@@H](Cl)c2ccc(Br)cc2Br)c(Br)c1 2083331007 VEKPMHXTVYFHSU-ZDUSSCGKSA-N 473.817 6.956 50 10 JKGE BrCc1cc(Br)cc(Br)c1OCCCCCC1CC1 2089033915 BRNUOVCWYWWJCO-UHFFFAOYSA-N 455.028 6.456 50 10 JKGE C[C@H]1Cc2cc([C@@H](Cl)c3sccc3I)cc(Br)c2O1 2090470300 MRMDXASGTLCDJD-JVXZTZIISA-N 469.569 5.767 50 10 JKGE C[C@@]1(CC(CBr)(CBr)c2cccc(Br)c2)CCCO1 2096625528 SWZPENHOWXSXAN-AWEZNQCLSA-N 455.028 5.436 50 10 JKGE BrC[C@@H]1C[C@@H]2CCC[C@@H]2N1Cc1ccc(Br)cc1Br 2108391094 HFQFDDMBRSGPFV-XEGUGMAKSA-N 452.028 5.350 50 10 JKGE Fc1c(Cl)cccc1C[C@H](Cl)c1ccc(I)c(Br)c1 2113466765 WGFADYRVFAISMN-LBPRGKRZSA-N 473.938 6.369 50 10 JKGE Cc1cc(Br)c(-n2cc([C@H](Br)C(C)C)nn2)c(Br)c1 2121064621 RUWQUVKLFDOLMZ-GFCCVEGCSA-N 451.988 5.193 50 10 JKGE Fc1c(Br)ccc(Cl)c1C[C@@H](Br)c1ccccc1Br 2122154540 VXDKUFQOXQKFEJ-GFCCVEGCSA-N 471.389 6.683 50 10 JKGE C[C@H](C1CC1)N(Cc1ccccc1)S(=O)(=O)c1ccc(Cl)c(CBr)c1Cl 2123253961 HAHSBILJTUYYNM-CYBMUJFWSA-N 477.251 5.878 50 10 JKGE Cc1cc(Cl)c(Br)cc1[C@@H](Br)c1c(F)cccc1Br 2137641446 DITLTLSFNYTEKQ-CQSZACIVSA-N 471.389 6.797 50 10 JKGE Fc1cc([C@H](Br)c2ccc(Br)cc2Br)cc(F)c1F 2138851132 JIFIZMPAUOSFMM-LBPRGKRZSA-N 458.897 6.113 50 10 JKGE COc1c(C)cc(Br)cc1[C@@H](Br)c1c(C)nsc1Br 2141638863 GIOOKYMLEZKOMQ-LLVKDONJSA-N 470.024 5.778 50 10 JKGE Cc1cc([C@H](Br)c2cc(Br)c3c(c2)C[C@H](C)O3)sc1Br 2146630360 WJTDRCNCXUYTPD-ISVAXAHUSA-N 481.047 6.389 50 10 JKGE Cc1sc(Br)cc1[C@H](Br)c1cc(Br)c2c(c1)C[C@H](C)O2 2152048817 ZXRUAZLAYUDCMA-JKYUHCHBSA-N 481.047 6.389 50 10 JKGE C[C@H]1C[C@H](CCC(CBr)(CBr)c2cccc(Br)c2)CO1 2159283990 ANRAGWNWGCFEID-STQMWFEESA-N 469.055 5.682 50 10 JKGE BrCc1c(Br)cccc1N1CCOCC12CCN(Cc1ccccc1)CC2 2163144781 AHQDGELXMGHYKJ-UHFFFAOYSA-N 494.271 5.215 50 10 JKGE FC1(F)CCC2(CC1)C[C@@H]2[C@H](Br)c1cc(Br)ccc1Br 2163385109 AHFBILKKPYDMDG-DGCLKSJQSA-N 472.993 6.863 50 10 JKGE O=S(=O)(c1c(CBr)sc2ccccc12)N(Cc1ccccc1)C1CCCC1 2179826892 YHSCONZLJGOICD-UHFFFAOYSA-N 464.450 5.930 50 10 JKGE CC(C)(C)OC(=O)Nc1ccc([S@@](C)(=O)=NCc2ccc(CBr)cc2)cc1 2182844310 BZNRBUKFXJJGKH-HHHXNRCGSA-N 453.402 5.585 50 10 JKGE COc1cc(Br)c(C(=O)N(Cc2ccccc2)[C@@H](CBr)C(C)C)cc1OC 2189041412 AUSGQIHLVMNZED-SFHVURJKSA-N 499.243 5.528 50 10 JKGE Cc1cc(Br)c(C)c([C@@H](Br)C2C[C@@H]3CC[C@H](C2)O3)c1Br 2201078270 MIVFLSBDNJLLCT-GTCHNVEASA-N 467.039 6.222 50 10 JKGE CCCCOC[C@H](Cl)Cc1sc(Br)c(Br)c1Br 2216420722 NXKNPLRVIGXJOT-SSDOTTSWSA-N 469.464 6.002 50 10 JKGE CC(F)(F)[C@@H]1C[C@@H]1[C@@H](Br)c1cc(Br)c(Br)cc1F 2218602987 IIVCWBGOTXPZSY-AODONOJDSA-N 450.918 6.078 50 10 JKGE Cn1ncc(Br)c1[C@H](Cl)c1cc(Br)c(Br)cc1F 2218605573 IMYUMGBNKMXDMK-SNVBAGLBSA-N 461.354 5.175 50 10 JKGE Clc1cc(Br)ccc1C[C@H](Br)c1ccccc1Br 2221698494 XLSJDMKENMCGMU-ZDUSSCGKSA-N 453.399 6.544 50 10 JKGE Cc1cc([C@@H](Br)c2c(Br)cc(C)c(Cl)c2C)sc1Br 2224317379 NCSJTFJCTLYUFD-GFCCVEGCSA-N 487.482 7.336 50 10 JKGE ClCCc1nc2cccc(Br)c2n1C[C@@H]1CC1(Br)Br 2224799932 BVRQTRHLYFIPPG-QMMMGPOBSA-N 471.418 5.086 50 10 JKGE Cc1ccc([C@@H](Br)c2cc(Br)c(Br)cc2F)c(F)c1 2225615807 LPYMFTYKBPMDBX-CQSZACIVSA-N 454.934 6.283 50 10 JKGE CC[C@H](CC(F)(F)F)[C@@H](Br)c1cc(Br)c(Br)cc1F 2225632949 GLECAOKFMPWROZ-KSBSHMNSSA-N 470.924 6.765 50 10 JKGE COc1sccc1[C@@H](Br)c1c(Br)cc(C)c(Br)c1C 2227372465 WOSGMIUJQJIFCE-CYBMUJFWSA-N 469.036 6.383 50 10 JKGE Brc1cc([C@H](Br)c2ccc([C@H]3CCOC3)s2)sc1Br 2231754092 HIZHKNMDAMOANJ-JVXZTZIISA-N 487.076 6.323 50 10 JKGE CCOCc1cc(Br)c([C@@H](Cl)c2cccc(Br)c2Cl)s1 2233008281 GWQUGCWHGQNIOL-ZDUSSCGKSA-N 459.030 6.791 50 10 JKGE Cc1sc([C@H](Cl)c2c(Br)cc(Cl)c(Cl)c2Cl)c(C)c1Br 2234469610 IMYHNEAPTPFMNP-GFCCVEGCSA-N 497.894 8.178 50 10 JKGE CCOc1cc(Cl)c([C@H](Br)c2scc(Br)c2C)cc1Cl 2234516880 LHIUFKBPLFLNCV-ZDUSSCGKSA-N 459.030 7.009 50 10 JKGE Cc1ccccc1C[C@H](Br)c1c(Br)cc(C)c(Br)c1C 2235597003 AMTNZWQDMJZKLM-HNNXBMFYSA-N 461.035 6.816 50 10 JKGE Cc1sc([C@@H](Br)c2c(F)cc(F)c(Br)c2F)c(C)c1Br 2236108895 LIMJJARAYMATGM-NSHDSACASA-N 492.980 6.792 50 10 JKGE COc1c(C)cc(Br)cc1[C@@H](Br)c1sc(C)c(C)c1Br 2237632071 SEDGTKZWFBKESO-CYBMUJFWSA-N 483.063 6.691 50 10 JKGE COCC12CCC([C@@H](Br)c3cc(Br)c(Br)s3)(CC1)CO2 2237696152 RCCUCJLYURFRGU-XGNXJENSSA-N 489.067 5.685 50 10 JKGE Fc1cccc([C@H](Cl)c2ccc3c(c2Br)CCO3)c1I 2238073768 KQVDROBHHGJYIF-CQSZACIVSA-N 467.503 5.456 50 10 JKGE Cc1ccc([C@@H](C)[C@@H](Br)c2cc(Br)c(Br)cc2F)cc1 2240814506 IRUPEPZPLSPLPB-QLJPJBMISA-N 464.998 6.899 50 10 JKGE Cc1cc(Br)c([C@@H](Cl)c2ccc(Cl)c(I)c2)s1 2248213616 MWFRAMPXGBCFLO-NSHDSACASA-N 461.977 6.405 50 10 JKGE Clc1c(Br)sc(Br)c1[C@H](Br)[C@H]1COC2(CCC2)C1 2257144206 MTDYZFPDAFLKGP-HTRCEHHLSA-N 479.459 6.322 50 10 JKGE Clc1cc(CBr)ccc1Oc1cc(I)ccc1Cl 2259930934 YIWWZSAMBGSZOY-UHFFFAOYSA-N 457.920 6.285 50 10 JKGE CS(=O)(=O)c1cscc1[C@@H](Br)c1cc(Br)sc1Br 2260094340 ISAXELQBKKYNLR-VIFPVBQESA-N 495.077 5.222 50 10 JKGE COc1ccc([C@@H](Br)c2ccc(Cl)c(Cl)c2)cc1I 2269556402 OLEHXIMYOMFMLZ-AWEZNQCLSA-N 471.947 6.091 50 10 JKGE CCCN[C@H](c1c(F)cc(Br)c(F)c1Br)[C@H]1C[C@@H]1Br 2272746930 DIIWCPBWCCFZFZ-MREMCGJQSA-N 461.970 5.314 50 10 JKGE C[C@@H]1C[C@@H]([C@@H](Br)c2c(F)cc(Br)c(F)c2Br)CCO1 2272839162 DRJVUGDWXNRXPS-PTZCXBDSSA-N 462.954 5.741 50 10 JKGE C=CCC1(CBr)CCN(C(=O)c2scc(Br)c2Br)CC1 2287754370 TZPJYSZKDWNTGR-UHFFFAOYSA-N 486.067 5.467 50 10 JKGE Fc1cc(Br)c(F)c(Br)c1[C@H](Br)CC1CCCCCC1 2288372680 ARNMRFAUVGGQNK-SNVBAGLBSA-N 475.009 7.286 50 10 JKGE Cc1cccc(C)c1NS(=O)(=O)c1ccc(NC(=O)C(C#N)=Cc2ccccc2Cl)cc1 2293299443 HUVYHEDLTFIQSO-UHFFFAOYSA-N 465.962 5.303 50 10 JKGE COc1cc(OC)c([C@H](Br)c2cc(Br)c(C)s2)cc1Br 2295421705 QWQOMQVZRNXPIN-AWEZNQCLSA-N 485.035 6.083 50 10 JKGE N#CC(=CNc1ccc(Cl)c(Cl)c1)c1nc(-c2cc3cc([N+](=O)[O-])ccc3oc2=O)cs1 2295891529 FQOUIJKYPDBJPP-UHFFFAOYSA-N 485.308 6.108 50 10 JKGE CCCCCCOC(=O)c1ccccc1NC=C(C#N)c1nc(-c2ccc(OCC)cc2)cs1 2295945905 SKTQMADWNNLFMD-UHFFFAOYSA-N 475.614 6.922 50 10 JKGE N#CC(=Cc1ccc(-c2cc(C(F)(F)F)ccc2Cl)o1)C(=O)Nc1ccccc1[N+](=O)[O-] 2296818945 DAJCBTAYHVLCFV-UHFFFAOYSA-N 461.783 6.073 50 10 JKGE Cc1ccc(N2C(=O)[C@@H](Cc3ccccc3C)SC2=C(C#N)C(=O)NCc2ccccc2)cc1 2296820067 OHVDGDQYOOHHHF-RUZDIDTESA-N 467.594 5.046 50 10 JKGE CCOc1ccc2ccccc2c1C=NNC(=O)C(=Cc1cccs1)NC(=O)c1ccccc1 2297322631 SEVDSDKYFIYVMQ-UHFFFAOYSA-N 469.566 5.221 50 10 JKGE CC(C)(C)C[C@@H](Br)c1c(Cl)cc(Br)c(F)c1Br 2300172502 RQJPANSNERWDSO-SSDOTTSWSA-N 451.399 6.876 50 10 JKGE CCOc1cc(C=C(C#N)C(=O)Nc2sc3c(c2C#N)CCCC3)ccc1OCc1cccc(C)c1 2313630412 LCIPKIMKRREIQY-UHFFFAOYSA-N 497.620 6.330 50 10 JKGE Fc1ccc(Br)cc1[C@H](Cl)c1ccc(OCc2ccccc2)cc1Br 2314497990 PQJPJCXBOJXVKJ-HXUWFJFHSA-N 484.590 7.258 50 10 JKGE Brc1ccc(OCc2ccccc2)c([C@H](Br)[C@@H]2C[C@H]3CCCC[C@H]32)c1 2314498781 XPZXWBMBZRAUDR-WGQQHEPDSA-N 464.241 7.290 50 10 JKGE Cc1cc(C)cc(Oc2nc3c(C)cccn3c(=O)c2C=C(C#N)C(=O)Nc2ccc(Cl)cc2)c1 2314532254 IBWSWSFRGMAHSI-UHFFFAOYSA-N 484.943 5.611 50 10 JKGE CCOC(=O)c1c(NC(=O)C(C#N)=Cc2ccc(-c3ccccc3F)o2)sc2c1CC[C@H](CC)C2 2314571646 JGXYOTKCLFRUTC-INIZCTEOSA-N 492.572 6.384 50 10 JKGE C[C@]1([C@@H](Br)c2c(Cl)cc(Br)c(F)c2Br)CCCO1 2315457960 HURAQJXABZHSLU-NWDGAFQWSA-N 465.382 6.009 50 10 JKGE CCCc1sc(Br)cc1[C@H](Br)c1scc(C)c1Br 2316170160 HWDSWOUDULIOAY-LBPRGKRZSA-N 473.093 7.080 50 10 JKGE FC1(F)[C@H]2C[C@@H]([C@H](Br)c3sc(Cl)cc3I)CC[C@H]21 2316600770 KLNYRBFRDJRWNV-XIVUIJJLSA-N 467.544 6.124 50 10 JKGE CC(C)(C)c1ccc(C=NNC(=O)CSc2nc(O)c3c(-c4ccccc4)csc3n2)cc1 2320486368 CQTSDNXAJJULDK-UHFFFAOYSA-N 476.627 5.604 50 10 JKGE COc1ccc2c(c1)c(C=C1Oc3cc(OCc4ccc(CCl)cc4)ccc3C1=O)cn2C 2325339556 BWMTWENBFADBFQ-UHFFFAOYSA-N 459.929 6.121 50 10 JKGE Cc1c([N+](=O)[O-])cc(C(O)=C(C#N)c2nc(-c3cccc(Br)c3)cs2)cc1[N+](=O)[O-] 2331279189 TZTNGZSDZMQPMM-UHFFFAOYSA-N 487.291 5.647 50 10 JKGE COc1c(Cl)cc(Cl)cc1-c1csc(C(C#N)=C(O)[C@H](C)Oc2ccc(C(C)C)cc2)n1 2331362674 LTLSSRMFFBYCQM-AWEZNQCLSA-N 489.424 7.509 50 10 JKGE CC(C)(C)c1ccc(C(=O)NCC(O)=C(C#N)c2nc(-c3ccc(Cl)s3)cs2)cc1 2331400720 MVZNBZWVENCKER-UHFFFAOYSA-N 458.008 6.045 50 10 JKGE COc1cc(C=C(C#N)c2nc(-c3ccccc3)cs2)ccc1OCc1c(Cl)cccc1Cl 2331439904 CJTRRMHGIFJWKD-UHFFFAOYSA-N 493.415 7.769 50 10 JKGE CCCCCCOc1ccc(C=C(C#N)c2nc(-c3ccc4c(c3)OCCO4)cs2)cc1OC 2331452221 UUPKGYMUCOVCKA-UHFFFAOYSA-N 476.598 6.613 50 10 JKGE COc1ccc(C(C)(C)C)cc1-c1csc(C(C#N)=Cc2cccc(OCc3ccccc3)c2)n1 2331462776 OWHMPVZIODYKLL-UHFFFAOYSA-N 480.633 7.759 50 10 JKGE COc1c(C)cc(Cl)cc1-c1csc(C(C#N)=Cc2ccc(OC(=O)c3ccccc3)cc2)n1 2331474458 JIIAHAMEYXYMBL-UHFFFAOYSA-N 486.980 7.064 50 10 JKGE FC(F)(F)C([C@H](Cl)c1cc(Br)ccc1OCc1ccccc1)C(F)(F)F 2336085082 ZEVHTZMESVTVNQ-CQSZACIVSA-N 461.627 7.049 50 10 JKGE Fc1c(Br)cc(Cl)c([C@H](Br)[C@@H]2CCC[C@@H](F)C2)c1Br 2337084667 NXCKXCFUTGJROS-OPVBNTEQSA-N 481.400 6.968 50 10 JKGE CCC[C@@H]1CN(Cc2ccc(Cl)c(I)c2)C[C@H]1CBr 2337217981 CZUKRDXARZJCBO-CHWSQXEVSA-N 456.593 5.188 50 10 JKGE C[C@H](Br)C[C@H]1CCCCN1Cc1ccc(Cl)c(I)c1 2337221481 PMMXZLISSMRKHP-WCQYABFASA-N 456.593 5.473 50 10 JKGE Cc1cc([C@H](Br)c2c(Br)nc(C)n2C)c(C)cc1Br 2337279879 XSYWUCAAGJJVGM-LBPRGKRZSA-N 451.000 5.355 50 10 JKGE Clc1c(Br)sc(Br)c1[C@@H](Cl)[C@@H]1C[C@@H]2CCCCCC[C@@H]21 2354874687 FHXFKUIACALXPK-GUDRVLHUSA-N 461.090 7.813 50 10 JKGE BrC[C@]12CCC[C@H](CN(Cc3cccc(Br)c3Br)C1)C2 2357621461 OGYFPTAAHGVDNK-BLLLJJGKSA-N 466.055 5.599 50 10 JKGE Fc1cc(Cl)c(Br)c(Cl)c1[C@H](Br)[C@@]12COC[C@@H]1C2(F)F 2360484695 UVJRDOHHLVTNAV-NRZXQICZSA-N 454.895 5.613 50 10 JKGE FC[C@]12C[C@]([C@H](Br)c3c(Cl)cc(Br)c(F)c3Br)(CO1)C2 2362230617 AMVRMFYXYVDJHT-JHJVBQTASA-N 495.383 5.959 50 10 JKGE Cc1cccc([C@@H](Br)c2c(C)cc(Br)c(F)c2Br)c1C 2365179554 OZVBNAPKAXOXNS-CQSZACIVSA-N 464.998 6.760 50 10 JKGE Clc1ccc([C@H](Cl)c2cc(Br)cc3c2OCC3)c(I)c1 2365593115 SCIVMMZNHBVVIF-AWEZNQCLSA-N 483.958 5.970 50 10 JKGE Cl[C@@H]1C[C@@H](OCc2cc(I)ccc2Br)C12CCCCC2 2367602429 SHEJPOLMUFOZFQ-HUUCEWRRSA-N 469.588 5.901 50 10 JKGE C[C@H]1CC2CC([C@@H](Br)c3c(Cl)cc(Br)c(F)c3Br)(C2)O1 2368129329 URSNDVDLSQXJRE-LTCSMMJFSA-N 491.420 6.398 50 10 JKGE COC1(C(F)F)CC([C@H](Br)c2cc(Br)c(Br)cc2F)C1 2368973053 PTIBXQUWNPPTDX-ADBPBMDZSA-N 480.944 5.847 50 10 JKGE N#C/C(=C/c1ccccc1OCc1ccccc1)C(=O)Nc1ccc(Br)cc1F 867563 HDINOGBBOLNPNT-PDGQHHTCSA-N 451.295 5.713 50 10 JKGE CC[C@H](Oc1ccccc1[C@@H](C)CC)C(=O)NNC(=O)COc1ccccc1-c1ccccc1 10682274 QAXZJVQOOJSYNL-RDPSFJRHSA-N 460.574 5.251 50 10 JKGE N#C/C(C(=O)Nc1ccccc1F)=C1\S[C@@H](Cc2ccc(F)cc2)C(=O)N1c1ccccc1 13564432 PTMOFHADHKTRBU-ZUGOUDHMSA-N 461.493 5.030 50 10 JKGE C/C(=N\NC(=O)c1ccoc1C)c1cccc(NC(=O)[C@@H](C)Oc2ccc(Cl)cc2C)c1 20352690 BRTGKNIVVRXRIO-VSWHYLHOSA-N 453.926 5.110 50 10 JKGE CCCOc1cccc(-c2nn(-c3ccccc3)cc2/C=C(/C#N)c2nc3ccccc3s2)c1 35446649 PANJFZXLXHEGPO-PGMHBOJBSA-N 462.578 7.002 50 10 JKGE CC1=C(C#N)C(=O)N(Cc2ccc(F)cc2)C(=O)/C1=C/c1ccc(OCc2ccc(C)cc2)cc1 38608738 RKZGDKBLMYLALY-CVKSISIWSA-N 466.512 5.506 50 10 JKGE CCCCOc1ccccc1C(=O)Oc1ccc2c(c1)OC(N)=C(C#N)[C@H]2c1ccccc1F 38652305 VIWKPFRDAVJUKA-VWLOTQADSA-N 458.489 5.442 50 10 JKGE N#CC1=C(N)Oc2cc(OC(=O)Cc3cccc4ccccc34)ccc2[C@@H]1c1cccc([N+](=O)[O-])c1 38653948 COJADTKKBNBAPS-MHZLTWQESA-N 477.476 5.114 50 10 JKGE COc1ccccc1OCC(=O)Oc1ccc2c(c1)OC(N)=C(C#N)[C@H]2c1c(Cl)cccc1Cl 38679577 ZYJAOTMSUCLXAO-QHCPKHFHSA-N 497.334 5.205 50 10 JKGE CCCCOc1ccccc1[C@@H]1C(C#N)=C(N)Oc2cc(OC(=O)COc3ccc(CC)cc3)ccc21 38683062 JMOAKWDJLIXJBU-LJAQVGFWSA-N 498.579 5.630 50 10 JKGE COc1cc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)Cc4ccccc4)ccc32)ccc1OCC(C)C 38684275 PLLGABWOYXSZNF-NDEPHWFRSA-N 484.552 5.096 50 10 JKGE Cc1ccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4sc5ccccc5c4Cl)ccc32)cc1 38686934 MKTNYFCFOBIBDT-QFIPXVFZSA-N 472.953 6.301 50 10 JKGE COc1ccccc1NC(=O)/C(C#N)=C\c1c(Oc2ccccc2Cl)nc2c(C)cccn2c1=O 39858683 SWQQZOBHCSYBBR-VKAVYKQESA-N 486.915 5.003 50 10 JKGE COc1ccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4oc5ccc(F)cc5c4C)ccc32)cc1 40530332 FLAQZBFGTQFHTC-XMMPIXPASA-N 470.456 5.326 50 10 JKGE Cc1ccc(C)c(NC(=O)c2oc3c(c2C)/C(=N/NC(=O)c2ccc(Cl)cc2Cl)CCC3)c1 40813693 PWCRKMMGXZJDCC-VUTHCHCSSA-N 484.383 6.234 50 10 JKGE Cc1c(C(=O)Nc2cc(Cl)ccc2Cl)oc2c1/C(=N/NC(=O)c1cccnc1)CCC2 40814157 ZAIZGOSPFAUJAQ-JVWAILMASA-N 457.317 5.013 50 10 JKGE CCCCCOc1ccc(/C=N/NC(=O)Nc2sc3c(c2C(=O)OC)CCCC3)cc1OC 40844760 UEJIFYSWCGHCHC-MFKUBSTISA-N 473.595 5.147 50 10 JKGE CC(C)c1ccc(/C=C(\C#N)C(=O)Oc2ccc(/C=C(\C#N)C(=O)NCc3ccco3)cc2)cc1 40927266 WJKRRFQJVNWGSH-OZEVPFDHSA-N 465.509 5.139 50 10 JKGE CCCCC1CCC(C(=O)Oc2ccc(/C=C(\C#N)C(=O)NCc3ccco3)cc2OC)CC1 40949226 HXLIGLCJJRTBFT-PXLXIMEGSA-N 464.562 5.414 50 10 JKGE CCCCCCOc1ccc(/C=N/NC(=O)COc2ccc(C(C)(C)C)cc2Br)cc1 40950852 OGRLYPMDGJQYNO-WPWMEQJKSA-N 489.454 6.235 50 10 JKGE C[C@@H](SCc1ccccc1)C(=O)N/N=C1/C(=O)N(Cc2ccccc2Cl)c2ccccc21 59156981 LFESGDUZZLDXBF-BXHNKXCFSA-N 463.990 5.029 50 10 JKGE CC1=C(C(=O)N/N=C/c2ccc(Cl)cc2Cl)[C@H](c2ccc(Cl)cc2Cl)NC(=O)N1 59385732 IBBDNTHMUNYMRJ-RDJCKRGXSA-N 472.159 5.078 50 10 JKGE N#C/C(=C/c1ccc(-c2ccc(F)cc2)o1)C(=O)Nc1ncc(Cc2ccc(Cl)c(Cl)c2)s1 102957852 AILGNFGYKPCEQD-WJDWOHSUSA-N 498.366 6.985 50 10 JKGE CCCCCCCCCCOc1ccc(C(=O)N/N=C/c2c3ccccc3cc3ccccc23)cc1 105425771 JKPVQMVBVWRWHW-IWBSIUBASA-N 480.652 8.276 50 10 JKGE Fc1ccc(Cl)cc1[C@H](Br)c1cc(Br)ccc1Br 109844574 JYPLJWZAJDTQNP-CYBMUJFWSA-N 457.362 6.488 50 10 JKGE COc1ccc(Br)c(COc2c(Br)cccc2CBr)c1 115758183 RQDGFGJVQMTDKF-UHFFFAOYSA-N 464.979 5.694 50 10 JKGE Fc1cccc(CC(CBr)(CBr)c2ccc(Br)cc2)c1F 118878517 KWIVADJFAPIZJM-UHFFFAOYSA-N 482.988 5.998 50 10 JKGE COc1cc(C)c(Br)cc1[C@@H](Br)c1cc(C)c(Br)s1 126064505 UCPLSQPTEGOYGG-CYBMUJFWSA-N 469.036 6.383 50 10 JKGE Clc1cccc([C@@H](Br)c2cc(Br)c(Br)s2)c1Cl 128232430 SQSJIVGXDVPQNU-SECBINFHSA-N 479.846 7.064 50 10 JKGE O=C1CCCc2cc([C@H](Br)c3cc(Br)c(Br)s3)ccc2N1 128555259 IKOLTAPRPPTAQD-AWEZNQCLSA-N 494.046 6.032 50 10 JKGE COCCc1ccc([C@H](Br)c2cc(Br)c(Br)s2)cc1 128859597 JAWPQXXYFZVZIG-ZDUSSCGKSA-N 469.036 5.946 50 10 JKGE BrC(Br)c1cccc(-c2cccc(C(Br)Br)c2)c1 196013785 HBFYAKRQMLBISA-UHFFFAOYSA-N 497.850 6.930 50 10 JKGE C[C@@H]1Cc2cc([C@H](Br)c3cc(Cl)ccc3I)ccc2O1 235413314 AMQIXSFHPIITCZ-ABKXIKBNSA-N 463.540 5.752 50 10 JKGE O=C(NN=Cc1ccccc1C(F)(F)F)/C(=C/C=C/c1ccccc1)NC(=O)c1ccccc1 252631159 VJBWBRFGDXMUAY-ANYGULARSA-N 463.459 5.183 50 10 JKGE Cc1ccc(-n2c(SCC(=O)NN=Cc3ccc(C(C)(C)C)cc3)nnc2-c2ccccc2)cc1 254607340 INEJNZNJYCNKFX-UHFFFAOYSA-N 483.641 5.783 50 10 JKGE CCOc1ccc2nc(Sc3ccc(C=NNC(=O)c4ccccc4[N+](=O)[O-])o3)sc2c1 254657102 HTCLWOREPVFNHK-UHFFFAOYSA-N 468.516 5.111 50 10 JKGE CC(C)(C)CC(C)(C)c1ccc(OCC(=O)NN=Cc2ccc(OC(=O)c3ccco3)cc2)cc1 254816676 LBVSZLBKZXLOFK-UHFFFAOYSA-N 476.573 5.742 50 10 JKGE 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 256443542 MFEGXCLQSLHLPH-RUVXBENISA-N 453.406 5.217 50 10 JKGE CCOc1ccc([C@@H](Br)c2cccc(OCc3ccccc3)c2)cc1Br 311965206 LXCNBQZMNFXVPV-QFIPXVFZSA-N 476.208 6.911 50 10 JKGE CC[C@@H]1CCCC[C@@H]1Oc1c(Br)cc(Br)cc1CBr 311967909 MMIGRQDDSGBRSW-YGRLFVJLSA-N 455.028 6.454 50 10 JKGE C[C@H](Cl)c1nc2cc(I)ccc2n1Cc1coc(Br)c1 378896824 COHGHPJCECEWMR-QMMMGPOBSA-N 465.516 5.345 50 10 JKGE Fc1cc(Br)c([C@H](Br)c2cccc(Br)c2)c(F)c1F 398795384 RHSVFZSHVMVSPL-LLVKDONJSA-N 458.897 6.113 50 10 JKGE CC(=O)c1ccc2c(c1)CCN2C(=O)Nc1ccc(C(=O)Nc2ccc(SC#N)cc2)cc1 586664808 GFQFSCBTNCUKRO-UHFFFAOYSA-N 456.527 5.309 50 10 JKGE CC(C)(C)OC(=O)Nc1cccc([C@H]2CCOCCN2CCO[Si](C)(C)C(C)(C)C)c1 616655576 GNAZRYDAZRSXOU-OAQYLSRUSA-N 450.696 5.819 50 10 JKGE C1=C[CH-]NC(N(CP(c2ccccc2)c2ccccc2)CP(c2ccccc2)c2ccccc2)=C1 642771990 CFRJGICXSMRZDD-UHFFFAOYSA-N 491.535 5.632 50 10 JKGE CC1(C)COc2c([C@@H](Br)c3ccoc3Br)cc(Br)cc21 688193835 LYYVXOHCBLIHNF-LBPRGKRZSA-N 464.979 5.959 50 10 JKGE COc1cc(F)c([C@H](Br)c2cccc(F)c2I)c(F)c1 721695762 BVBWALIJROJZMK-CYBMUJFWSA-N 457.027 5.201 50 10 JKGE Fc1cccc([C@@H](Br)Cc2c(F)cccc2Cl)c1I 721735025 DSPGWFDTTSREQA-JTQLQIEISA-N 457.483 5.902 50 10 JKGE Cc1ccc(C)c(-n2c(C)cc(C=NNC(=O)C(=O)Nc3ccc(Cl)c(Cl)c3)c2C)c1 725396533 RTXQPOYTPZRNEI-UHFFFAOYSA-N 457.361 5.107 50 10 JKGE CCOc1ccc(C=NNC(=O)c2cc3cc(Br)ccc3o2)cc1Br 1084100390 HMNMNSJUSFFBRE-UHFFFAOYSA-N 466.129 5.120 50 10 JKGE COc1cc(C=NNC(=O)CC[C@@H](O)c2ccccc2)cc(Cl)c1OCc1ccc(F)cc1 1084115157 WQBQOEWBAZYZQB-JOCHJYFZSA-N 470.928 5.031 50 10 JKGE CCc1cccc(C)c1-n1c(C)cc(C=NNC(=O)c2ccc(-n3c(C)ccc3C)cc2)c1C 1084267691 CHMXRQBWBDOLIY-UHFFFAOYSA-N 452.602 6.136 50 10 JKGE Cc1ccc(NC(=O)/C(C#N)=C\c2ccccc2OCc2ccc(Br)cc2)cc1C 1084277753 LQAULUSFHRDHPD-STZFKDTASA-N 461.359 6.191 50 10 JKGE O=C(CC[C@@H](O)c1ccccc1)NN=Cc1cc(Cl)c(OCc2cccc(F)c2)c(Cl)c1 1084278454 BWXDFDZATQYQPP-JOCHJYFZSA-N 475.347 5.675 50 10 JKGE CC(C)=CCC/C(C)=C\C=NNC(=O)COc1c(C)cc(Br)cc1Br 1084329079 FFJQMRAXEJLJCZ-GWUJSXFLSA-N 472.221 5.694 50 10 JKGE O=C(NN=Cc1ccc(Br)cc1)c1ccc([C@@H]2Nc3ccccc3[C@@H]3C=CC[C@@H]32)cc1 1084437033 KVDXIYHAWLBVSG-RSEQLOHWSA-N 472.386 6.040 50 10 JKGE CC(C)(C)N(N=Cc1c(Cl)ccc(Cl)c1Cl)C(=O)c1cc(Cl)cc(Cl)c1 1088644358 ZHQVAFIDGOFNNU-UHFFFAOYSA-N 452.596 7.228 50 10 JKGE COc1ccc(C)cc1NC(=O)c1oc2c(c1C)C(=NNC(=O)c1ccccc1Cl)CCC2 1772743561 BPVLKQAECNIUDL-UHFFFAOYSA-N 465.937 5.281 50 10 JKGE CCCCOc1ccc(NC(=O)c2oc3c(c2C)C(=NNC(=O)c2cccc(Cl)c2)CCC3)cc1 1772745608 CLUHLJPJTKAADT-UHFFFAOYSA-N 493.991 6.143 50 10 JKGE CCc1cc(Br)ccc1OCC(=O)NN=Cc1ccc(OCc2ccccc2)cc1 1772755967 WGARYGGSBWOFIN-UHFFFAOYSA-N 467.363 5.120 50 10 JKGE O=C(CCc1ccccc1Br)N/N=C1\C(=O)N(Cc2ccccc2Cl)c2ccccc21 1860822969 RVMPHNQTMXUAMH-NFFVHWSESA-N 496.792 5.102 50 10 JKGE CCCn1nc(-c2ccc(OC)cc2)c2c1OC(N)=C(C#N)[C@@H]2c1c(Cl)cccc1Cl 1865686097 QSIRFTHPAIHDIU-GOSISDBHSA-N 455.345 5.494 50 10 JKGE CCCCOc1ccc([C@@H]2C(C#N)=C(N)Oc3c2c(CCC)nn3-c2ccccn2)cc1OCC 1865687389 QCKZWNUGQBEWFY-XMMPIXPASA-N 473.577 5.016 50 10 JKGE CCCOc1ccc([C@@H]2C(C#N)=C(N)Oc3c2c(C)nn3Cc2ccc(Cl)c(Cl)c2)cc1 1865694469 VUVLTXYCGBQHGB-JOCHJYFZSA-N 469.372 5.554 50 10 JKGE CCCCOc1ccc([C@@H]2C(C#N)=C(N)Oc3c2c(C)nn3Cc2cc(C)ccc2C)cc1OC 1865696812 LCARMNUHVKSFFK-AREMUKBSSA-N 472.589 5.262 50 10 JKGE CCCc1nn(-c2ccc(Cl)cc2)c2c1[C@@H](c1ccc(N(CC)CC)cc1)C(C#N)=C(N)O2 1865701941 IYSWMTOVYBPRLU-QHCPKHFHSA-N 461.997 5.543 50 10 JKGE Cc1ccc([C@@H](C(=O)N[C@@H](C(=O)Nc2ccc(SC#N)cc2)c2ccccc2)C(C)C)cc1 1866961375 VAUSDASLQLLCAQ-LOSJGSFVSA-N 457.599 5.804 50 10 JKGE CCc1cccc(OC2CCN(c3cc(Nc4ccc(SC#N)cc4)nc(CC)n3)CC2)c1 1868278240 XEVBEDYLRIHGSH-UHFFFAOYSA-N 459.619 5.966 50 10 JKGE COc1cc(C)c(-c2csc(/C(C#N)=C(\O)c3cccc(OCC(C)C)c3)n2)cc1C(C)C 1872753761 LSMKOPPVLWGICJ-RWEWTDSWSA-N 462.615 7.235 50 10 JKGE N#C/C(=C\c1ccc(OCc2ccccc2Cl)cc1)c1nc(-c2ccc(Cl)c(Cl)c2)cs1 1872790379 FAFWOWRYTAUQGC-YBFXNURJSA-N 497.834 8.413 50 10 JKGE CCOc1ccc(OCC)c(-c2csc(/C(C#N)=C/c3cc(Cl)c(O)c(OC)c3)n2)c1 1872792575 GMLDNYSTAMQFDJ-OVCLIPMQSA-N 456.951 6.039 50 10 JKGE COC(=O)c1c(NC(=O)/C=C/c2ccc(OCc3ccccc3)cc2)sc(/C(C)=C/C#N)c1C 1873427839 DIWYXCJUGRDUNS-IJANBFSMSA-N 472.566 6.001 50 10 JKGE Cc1cc(Br)c(F)c(Br)c1[C@@H](Br)C1(Br)CC1 1901326971 BSEYLIJTSJJPMY-SNVBAGLBSA-N 479.807 6.023 50 10 JKGE C[C@@H](c1cccs1)N(Cc1ccccc1)c1ccc(CBr)c(C(F)(F)F)c1 1914842084 KCROISDMNLHBIB-HNNXBMFYSA-N 454.355 7.430 50 10 JKGE CC(C)[C@@H](CBr)N(Cc1ccccc1)S(=O)(=O)c1ccccc1Br 1915291825 SHAKNGJADVAVGT-QGZVFWFLSA-N 475.246 5.060 50 10 JKGE CCC(F)(F)C(C)(C)[C@@H](Br)c1c(Br)sc(Br)c1Cl 1923037184 BDTRCGWLDRYKKN-ZETCQYMHSA-N 489.445 7.434 50 10 JKGE C[C@H](c1ccncc1Br)[C@H](Cl)c1cc(Br)sc1Br 1924037512 ZLJHMEIQIWCRHJ-KBUNVGBDSA-N 474.443 6.514 50 10 JKGE C[C@H]1COc2ccc([C@H](Cl)c3ccc(I)c(Br)c3)cc21 1925680527 UHTYYHISETVKQJ-FVMDXXJSSA-N 463.540 5.878 50 10 JKGE Brc1cccc(C[C@H](Br)c2cscc2OCc2ccccc2)c1 1939522678 VSEURPZQODYQEP-SFHVURJKSA-N 452.211 6.768 50 10 JKGE BrCC(CBr)(Cc1ccc(I)cc1)C1CCC1 1942092833 IZJLSAJGGDGKCD-UHFFFAOYSA-N 472.002 5.410 50 10 JKGE Cc1nc([C@H](Cl)c2cc(Br)ccc2Br)c(Br)s1 2003562294 HNVIKRTVLHAUHL-SECBINFHSA-N 460.416 6.067 50 10 JKGE Cc1cc([C@H](Br)c2c(Br)sc(Br)c2Cl)oc1C 2015326274 MCZBMUGCNCRXAH-QMMMGPOBSA-N 463.416 6.621 50 10 JKGE CCN[C@@H](c1c(Br)sc(Br)c1Cl)[C@H]1C[C@H](Br)C1 2020168004 XVCZVQICRBNGPK-HCVRKRLWSA-N 466.464 5.751 50 10 JKGE C[C@]1(CCOCc2ccccc2)CCN1c1ccc(CBr)c(Br)c1 2020891248 RATRDMMEFDIQES-HXUWFJFHSA-N 453.218 5.920 50 10 JKGE Cc1cc(F)c([C@H](Br)c2csc(Br)c2Br)cc1Cl 2032958971 QAJNYCVFGBZINZ-JTQLQIEISA-N 477.418 6.858 50 10 JKGE Brc1cccc([C@H](Br)Cc2c(Br)cccc2Br)c1 2050572961 ZVUMUSOSRATRDY-CQSZACIVSA-N 497.850 6.653 50 10 JKGE CO[C@H]1C[C@H]([C@@H](Br)c2sc(Br)cc2Br)C[C@H]1OC 2054499698 TZPTWZWWKHISQQ-GPUHXXMPSA-N 463.029 5.149 50 10 JKGE CC1(C)OCCO[C@H]1[C@@H](Cl)c1c(Br)sc(Br)c1Br 2066675571 UWBGMFFNAVFLKA-YUMQZZPRSA-N 483.447 5.510 50 10 JKGE Fc1ccc([C@H](Br)c2ccc(Br)cc2Br)c(Cl)c1 2083338672 NYWGAIXBMVBXQB-CYBMUJFWSA-N 457.362 6.488 50 10 JKGE Brc1cccc(Br)c1CN1C[C@H](Br)CC2(CCC2)C1 2095000334 RECGSDOSCWJYEX-LLVKDONJSA-N 452.028 5.351 50 10 JKGE ClCc1nc2cc(I)ccc2n1[C@H]1CCCN(Cc2ccccc2)CC1 2104269609 PRXIBNFXTQKPCI-SFHVURJKSA-N 479.793 5.607 50 10 JKGE Clc1c(Br)ccc(CBr)c1N1CC[C@@H]2CN(Cc3ccccc3)C[C@@H]2C1 2112430495 NEGCTFMCADKTOC-QZTJIDSGSA-N 498.690 5.956 50 10 JKGE COc1ccc([C@H](Br)c2cc(I)ccc2F)c(Br)c1 2113357805 KAAKUOWJWCYOIJ-AWEZNQCLSA-N 499.943 5.686 50 10 JKGE CCCn1ncc(Br)c1C[C@H](Br)c1cccc(Br)c1 2113488234 AYZZILDIVXGFLP-LBPRGKRZSA-N 451.000 5.497 50 10 JKGE C[C@@H]1CN(C(=O)c2cc(Br)sc2Br)CC[C@@H]1CCBr 2115846375 ZYPFUYORNSINCR-BDAKNGLRSA-N 474.056 5.156 50 10 JKGE Cc1cc(Br)c(C)c([C@H](Cl)c2nn(C)cc2Br)c1Br 2136379554 LNXKYCQNTUXBKD-LBPRGKRZSA-N 471.418 5.653 50 10 JKGE Cc1c(Br)ccc([C@@H](Cl)c2c(Cl)cccc2Br)c1Br 2138867185 RCUIYDTZYPLTTN-CQSZACIVSA-N 487.844 7.264 50 10 JKGE C[C@H](Br)c1ccccc1NC(=O)c1cccc(Br)c1Br 2148769028 IKAWUVGRAKSGIN-VIFPVBQESA-N 461.979 5.920 50 10 JKGE CC(C)(C)OC(=O)NCC1CC([S@@](C)(=O)=NCC2(CBr)CCCCCC2)C1 2192623434 FZXSOUWBNWMJFI-IYIBJFCGSA-N 465.498 5.123 50 10 JKGE Cc1sc(C(=O)N(C)C[C@H](Br)COCc2ccccc2)c(C)c1Br 2213745181 RSVWOOIWSAPWHN-HNNXBMFYSA-N 475.246 5.180 50 10 JKGE COc1ccc(C(=O)N(Cc2ccccc2)[C@@H](CBr)C(C)C)c(Br)c1 2223967351 IJSOIJGYDLSMFZ-IBGZPJMESA-N 469.217 5.520 50 10 JKGE Cc1cc(Br)c([C@H](Cl)c2cnn(C)c2I)c(C)c1Cl 2224302422 LNECGUBMFHJDJC-GFCCVEGCSA-N 473.967 5.386 50 10 JKGE FC(F)(F)C1([C@H](Br)c2c(Br)cc(Cl)c(Cl)c2Cl)CC1 2224318148 UILCKUSAFTYPGX-SECBINFHSA-N 461.330 7.188 50 10 JKGE Fc1cc(F)c(C[C@@H](Br)c2cccc(Br)c2)c(Br)c1 2225600033 QULLHILBXCMSAA-GFCCVEGCSA-N 454.934 6.169 50 10 JKGE Fc1cc([C@H](Br)c2cc(Br)c(Br)cc2F)ccc1Cl 2225615949 BHDUMYTUVAVVBG-ZDUSSCGKSA-N 475.352 6.628 50 10 JKGE Fc1cc(Br)c(Br)cc1[C@H](Br)C1[C@@H]2[C@H]3CC[C@@H](C3)[C@@H]12 2225618157 XUSQOHCQQRAHBN-BFZFGPFCSA-N 452.987 6.079 50 10 JKGE Cc1cc([C@@H](Cl)c2ccc(Br)cc2Br)cc(C)c1Br 2227425450 VTCSESYGQVWRGU-OAHLLOKOSA-N 467.426 6.919 50 10 JKGE Cc1c(F)ccc([C@H](Br)c2ccc(I)c(Cl)c2)c1F 2231081394 YPZDOQQZNLZUNF-CYBMUJFWSA-N 457.483 6.016 50 10 JKGE Cc1cc(Br)c([C@@H](Br)c2c(Cl)c(C)nn2C)cc1Br 2232161261 HODVCYQXPBIINK-LLVKDONJSA-N 471.418 5.700 50 10 JKGE Cc1cc(Br)c([C@@H](Br)CC2CC(C(F)F)C2)c(C)c1Br 2235603456 BEHHIEMEWCPBJR-CBINBANVSA-N 475.009 6.946 50 10 JKGE COc1ccc(Br)c(CCl)c1OCc1ccc(I)cc1 2236037799 KNQQJISEURWEAO-UHFFFAOYSA-N 467.528 5.380 50 10 JKGE COC[C@]1(C)C[C@@H]1[C@H](Cl)c1c(Br)sc(Br)c1Br 2248733479 IMWKXRYUBHOKLH-ZXHVRRQWSA-N 467.448 5.988 50 10 JKGE Cc1ccc(Br)cc1[C@H](Br)c1sc(C)c(C)c1Br 2253504776 MYYQDYXHMGHTET-ZDUSSCGKSA-N 453.037 6.683 50 10 JKGE CCc1cc([C@@H](Br)c2cccc(C)c2Br)sc1Br 2255989332 ROVHJZULBVVJGI-ZDUSSCGKSA-N 453.037 6.628 50 10 JKGE C[C@@H]1C[C@@H]2C[C@@H]2C[C@H]1[C@@H](Br)Cc1cc(Br)cc(Br)c1 2277950352 VCRUXYUWQVPEAX-FKHLYAMYSA-N 451.040 6.200 50 10 JKGE Clc1c(Br)csc1[C@H](Br)c1ccc(Br)c2ccccc12 2279290414 AXYPMBBXGVSWEQ-CYBMUJFWSA-N 495.461 7.564 50 10 JKGE Fc1cc([C@H](Br)c2cc(F)c(Br)cc2Cl)c(F)cc1Br 2282898650 HRGKAAZLGHUATC-CYBMUJFWSA-N 493.342 6.767 50 10 JKGE C[C@H]1CCC[C@@](CBr)(NC(=O)c2ccc(Cl)c(I)c2)C1 2283657765 VLLBJNTXCOXMOW-ZUZCIYMTSA-N 470.576 5.018 50 10 JKGE COc1c([C@H](Br)c2cc(Br)n(C)n2)cc(Br)c(C)c1C 2284522871 JNWMTISHQMZGKB-ZDUSSCGKSA-N 466.999 5.055 50 10 JKGE Fc1cc([C@@H](Br)c2c(F)cc(Br)c(F)c2Br)ccc1Cl 2288494191 COUZNZQVLMKOLM-LLVKDONJSA-N 493.342 6.767 50 10 JKGE FC1CC2(C1)CC(CO[C@@H](CI)c1ccc(Br)cc1)C2 2288556661 BSHDYDYRJYEYKJ-PUPBTHHNSA-N 453.133 5.470 50 10 JKGE Cc1ccc(NC(=O)C(C#N)=Cc2cc(Br)ccc2OCCOc2ccc(C)cc2)cc1 2295172594 GEBRFVRPKBLDTR-UHFFFAOYSA-N 491.385 6.069 50 10 JKGE COc1cc(C)c(Cl)cc1[C@H](Br)c1c(Br)cccc1Br 2295298276 GAKCZIAWMVJISJ-HNNXBMFYSA-N 483.425 6.666 50 10 JKGE COc1ccc(C=C(C#N)C(=O)Nc2ccc(F)cc2)cc1OC(=O)c1cccc2ccccc12 2295459593 CFUIBPWYQNVYSG-UHFFFAOYSA-N 466.468 5.752 50 10 JKGE Cc1ccccc1N1C(=O)[C@@H](Cc2ccccc2Cl)SC1=C(C#N)C(=O)Nc1ccccc1 2296507235 ZEDOXYMEMGZFED-HSZRJFAPSA-N 473.985 5.713 50 10 JKGE Cc1ccccc1CSC(Nc1cc(Cl)ccc1C)=C(C#N)S(=O)(=O)c1ccccc1 2297349952 GFQADCBJOQTBMB-UHFFFAOYSA-N 469.031 6.469 50 10 JKGE FC1(F)CC[C@@H]1C[C@H](Br)c1c(Br)sc(Br)c1Cl 2299036103 VAIYAYAEFGQQSQ-UHNVWZDZSA-N 473.402 6.798 50 10 JKGE Brc1cc(OCc2ccccc2)ccc1[C@H](Br)C[C@@]12CCC[C@H]1C2 2299491920 AZANYTUPIRQDBB-DQLDELGASA-N 450.214 7.044 50 10 JKGE Fc1c(Br)cc(Cl)c([C@H](Br)[C@H]2CCOC2)c1Br 2300172490 RLDOXHUFLHAWLG-SSDLBLMSSA-N 451.355 5.477 50 10 JKGE COc1c(Br)cc(C)c([C@H](Br)C2(Br)CC2)c1Br 2301502270 LSTRCVODWRMNLN-NSHDSACASA-N 491.843 5.892 50 10 JKGE C=CCOc1c(Br)cc(C=C(C#N)C(=O)Nc2cc(C)ccc2C)cc1Br 2313511141 QADWTDXZHOWDKC-UHFFFAOYSA-N 490.195 5.939 50 10 JKGE CC(C)(C)OC(=O)N1CCC[C@](CI)(OC(CC2CC2)CC2CC2)C1 2313524374 KSPJNPMZJCVZIF-HXUWFJFHSA-N 463.400 5.177 50 10 JKGE CCCCOC(=O)c1ccc(-n2c(C)cc(C=C(C#N)C(=O)NCc3cccs3)c2C)cc1 2313540583 ITLXDYBNOMYCPW-UHFFFAOYSA-N 461.587 5.336 50 10 JKGE FC1(F)[C@@H]2CC[C@H]([C@@H](Br)c3ccc(OCc4ccccc4)cc3Br)[C@@H]21 2314439341 GSPSZTOLPIFURF-NBMJBFSESA-N 472.167 6.755 50 10 JKGE CCc1ccc(N2C(=O)[C@@H](Cc3ccccc3F)SC2=C(C#N)C(=O)Nc2cccc(C)c2)cc1 2314591630 ACINSERXQYULNB-RUZDIDTESA-N 485.584 5.762 50 10 JKGE Cc1ccc(C[C@@H]2SC(=C(C#N)C(=O)Nc3ccc(C)cc3)N(c3ccc(C)c(C)c3)C2=O)cc1 2314592115 MCPJTMUIAUJWLR-SANMLTNESA-N 481.621 5.985 50 10 JKGE Clc1ccc(COC2(CI)CCCCC2)c(I)c1 2317816527 HMWJZGDKMSAMNN-UHFFFAOYSA-N 490.550 5.599 50 10 JKGE CCOc1ccc(OCC(=O)Oc2ccc(C=C(C#N)c3ccc(OC)c(OC)c3)cc2OC)cc1 2320506634 NURXPMUNBPCJDU-UHFFFAOYSA-N 489.524 5.160 50 10 JKGE COc1ccc(C(C#N)=Cc2ccc(OC(=O)COc3cccc(C)c3C)c(OC)c2)cc1OC 2320507115 YYEJWHPDRUATRE-UHFFFAOYSA-N 473.525 5.378 50 10 JKGE O=C(Cc1cc(Br)cc(Br)c1)N[C@H](CCCl)COCc1ccccc1 2320557352 DOYZRFNTLSBSHQ-GOSISDBHSA-N 489.635 5.085 50 10 JKGE BrC[C@H](Cc1ccc(I)c(Br)c1)C1CCCCC1 2325217444 FDDZYHKAKUPHDO-ZDUSSCGKSA-N 486.029 6.188 50 10 JKGE N#CC(=CNc1ccc(Cl)c(C(F)(F)F)c1)C(=O)Nc1ccc(Cl)c(C(F)(F)F)c1 2325382815 CUWUUGMWNXLCSA-UHFFFAOYSA-N 468.184 6.489 50 10 JKGE CCOc1cc(C=C(C#N)c2nc3ccc(C)cc3[nH]2)ccc1OCc1ccc(Br)cc1 2331018226 ATVBDTKUXSNUIF-UHFFFAOYSA-N 488.385 6.676 50 10 JKGE COc1cc(C)c(-c2csc(C(C#N)=C(O)CNS(=O)(=O)c3ccc(C)cc3)n2)cc1C(C)C 2331358518 HGXOWBDLDNHPRU-UHFFFAOYSA-N 497.642 5.330 50 10 JKGE COc1cc(C)c(-c2csc(C(C#N)=Cc3cc4c(cc3[N+](=O)[O-])OCCO4)n2)cc1C(C)C 2331464321 YONBKDJNWGPXKU-UHFFFAOYSA-N 477.542 5.994 50 10 JKGE CS(=O)(=O)c1cscc1[C@H](Cl)c1cc(Br)ccc1OCc1ccccc1 2336045239 VCKDBXALTCVWIX-LJQANCHMSA-N 471.825 5.821 50 10 JKGE FC[C@@]12CC[C@@]([C@H](Br)c3ccc(OCc4ccccc4)cc3Br)(CO1)C2 2336071856 HCCWLZOIMJVILR-HKBOAZHASA-N 484.203 6.373 50 10 JKGE Fc1c(Br)cc(Cl)c([C@H](Br)[C@H]2[C@H]3COCC[C@H]32)c1Br 2337082322 KGCVIDJLDZZQMV-HLJYALQUSA-N 477.393 5.723 50 10 JKGE CC[C@@H](Oc1cc(Br)cc(I)c1)c1nc(CCl)cs1 2338674510 RSZIUVQEHZWNFG-GFCCVEGCSA-N 472.573 5.779 50 10 JKGE CCCC(CBr)(CCC)COc1cc(Br)cc(Br)c1 2338723594 YUTHYHITNKAVRN-UHFFFAOYSA-N 457.044 6.572 50 10 JKGE Brc1cc(Br)cc(O[C@@H]2C[C@@H](Br)C23CCCCC3)c1 2338855920 HOESYLBSFZHEHU-ZIAGYGMSSA-N 453.012 6.077 50 10 JKGE Cc1cc(Br)c(F)c(Br)c1[C@@H](Br)[C@@]12CCC[C@@H]1CC2 2339690796 WILOVTGTWTVUDF-DFKRKDTASA-N 455.003 6.675 50 10 JKGE CC(C)[C@@H](Cl)C(C)(C)CNCc1ccc(I)c(Br)c1 2349828183 KHNBZMIDSZCIFS-CQSZACIVSA-N 458.609 5.433 50 10 JKGE CCC[C@@H](CC)CC(CBr)(CBr)c1ccc(Br)cc1 2353451840 ZEXDATBDRAUOKH-CYBMUJFWSA-N 455.072 6.693 50 10 JKGE Brc1cc(OCc2ccccc2)ccc1[C@@H](Br)[C@@H]1C[C@H]1C1CCCCCC1 2361200661 LNIMGOVUDOWDSM-WMTXJRDZSA-N 492.295 8.071 50 10 JKGE CC(C)C[C@@H](C(C)C)[C@@H](Br)c1c(Cl)cc(Br)c(F)c1Br 2362248947 VIWVRJOUISEUBC-TVQRCGJNSA-N 493.480 7.758 50 10 JKGE COc1c(C)cc([C@H](Br)c2c(Cl)sc(Br)c2Cl)cc1Cl 2362873953 XBFLVMWORVFVPY-VIFPVBQESA-N 479.448 7.272 50 10 JKGE CC(C)Oc1ccc([C@H](Br)c2c(Br)c(Br)nn2C)cc1 2364062568 ALFWKTKLSXWRFH-NSHDSACASA-N 466.999 5.217 50 10 JKGE Cc1cc(Br)c(F)c(Br)c1[C@H](Br)C[C@@H](C)CC(C)(C)C 2365181007 UPHVQGDFHZIJLP-MWLCHTKSSA-N 473.062 7.558 50 10 JKGE Cc1cc(Br)c(F)c(Br)c1[C@H](Br)[C@H]1CCC[C@H]1C(C)C 2365191904 SHTJZFPUYIRQAI-COPLHBTASA-N 471.046 7.167 50 10 JKGE Clc1cccc([C@H](CBr)OCc2ccc(Cl)cc2I)c1 2365644198 ANHAJPDFDLRMFL-HNNXBMFYSA-N 485.974 6.251 50 10 JKGE CC1(C)CC[C@@H](CO[C@](C)(CI)c2ccccc2Br)C1 2367332865 YSEMGKWOTDTQKU-CXAGYDPISA-N 451.186 5.942 50 10 JKGE Cc1cc([C@H](Br)c2cc3c(cc2Br)OCCC3)sc1Br 2369615628 KTSBBFNCWOJRIW-CQSZACIVSA-N 481.047 6.391 50 10 JKGE Cc1cccc(COc2c(CBr)ccc(C)c2Br)c1Br 2381138800 XXOGJZUXZLUXRQ-UHFFFAOYSA-N 463.007 6.302 50 10 JKGE O=C(N/N=C/c1cc(Br)c(O)c(Br)c1)C(c1ccccc1)c1ccccc1 3024069 ACBUPGQLAWGSIG-ZMOGYAJESA-N 488.179 5.199 50 10 JKGE CCSc1sccc1[C@H]1C(C#N)=C(N)N(c2ccccc2)C2=C1C(=O)C[C@@H](c1ccccc1)C2 9981238 XWGBXTDBRJFLPK-DFBJGRDBSA-N 483.662 6.559 50 10 JKGE CC(C)(C)c1ccc(C(=O)Nc2ccc(C(=O)NNC(=O)c3ccc(-c4ccccc4)cc3)cc2)cc1 12491967 OONREGBOMWXJDI-UHFFFAOYSA-N 491.591 5.978 50 10 JKGE CCc1ccccc1NC(=O)n1c(/C(C#N)=C/c2cc(OC)ccc2OC)nc2ccccc21 15777558 YPQLSLBBZTXPDC-HMMYKYKNSA-N 452.514 5.760 50 10 JKGE Cc1nn(C(C)C)c(C)c1/C=N/NC(=O)C=C(Sc1ccccc1)Sc1ccccc1 20805480 DAXNLIHNUOQVLP-PCLIKHOPSA-N 450.633 5.957 50 10 JKGE CCOc1cc(C(=O)Oc2cccc(/C=C(/C#N)c3ccccc3F)c2)cc(OCC)c1OCC 31902839 SGSFDISYRSGKCB-STZFKDTASA-N 475.516 6.305 50 10 JKGE COc1cc(/C=C(/C#N)c2nc3ccccc3[nH]2)ccc1OCC(=O)Nc1ccc(C)c(C)c1 33467109 LUUYNTOCGZNUJA-MOSHPQCFSA-N 452.514 5.270 50 10 JKGE CCCc1cc(C(=O)OC)c(NC(=O)/C(C#N)=C\c2cn(-c3ccccc3)nc2-c2ccccc2)s1 34983475 PROYBPOMOPHNCH-HKWRFOASSA-N 496.592 5.886 50 10 JKGE N#CC(=C/c1ccc(-c2ccccc2Cl)o1)/C(O)=N/c1ncc(Cc2cccc3ccccc23)s1 35079561 OMQBQGRCSILYST-ZHZULCJRSA-N 495.991 7.996 50 10 JKGE N#C/C(=C\c1c[nH]nc1-c1ccccc1)c1nc(-c2ccc(I)cc2)cs1 35519174 YYRUHQZNHLWLGB-MHWRWJLKSA-N 480.334 5.869 50 10 JKGE CCc1cccc(N2C(=O)CS[C@H]2c2ccc(NC(=O)[C@H](Cl)c3ccccc3)cc2)c1 35928734 CUHKRGRXCKPVNH-NOZRDPDXSA-N 450.991 5.946 50 10 JKGE CC1=C(C#N)C(=O)N(Cc2ccc3c(c2)OCO3)C(=O)/C1=C/c1ccc(OCc2ccc(C)cc2)cc1 38608544 XPEZRUDTCGPLTQ-DHRITJCHSA-N 492.531 5.095 50 10 JKGE CCc1ccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)COc4ccc(Cl)cc4Cl)ccc32)cc1 38676952 MYLKPFFJTCWLME-VWLOTQADSA-N 495.362 5.758 50 10 JKGE CC(C)CCOc1cccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4ccc(Cl)cc4)ccc32)c1 38684628 VESPRRDXKLJDHY-SANMLTNESA-N 488.971 6.202 50 10 JKGE CCCCOc1cccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4ccccc4OC)ccc32)c1 38685053 WHLYOOZBKDYZOG-AREMUKBSSA-N 470.525 5.311 50 10 JKGE Cc1c(C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@H]3c2ccc(Cl)c(Cl)c2)oc2ccccc12 38688323 MXESBYDQFJPIAY-QHCPKHFHSA-N 491.330 6.485 50 10 JKGE O=C(NNc1ncnc(Sc2ccc(Cl)cc2)c1[N+](=O)[O-])c1ccc(Cl)cc1Cl 40607736 AXIVFPRMLKKYLL-UHFFFAOYSA-N 470.725 5.253 50 10 JKGE COc1cc(/C=C(\C#N)c2ccc(Cl)cc2)ccc1OC(=O)/C=C/c1ccccc1Cl 40851346 OVTLVAICHKVJIN-TXRZGVEQSA-N 450.321 6.685 50 10 JKGE CC(C)(C)c1ccc(C(=O)N/N=C/c2cc(Br)ccc2OCc2ccccc2)cc1 40889010 MOODAJBJQCGTMX-JVWAILMASA-N 465.391 6.090 50 10 JKGE O=C(CCCSc1nc2ccc([N+](=O)[O-])cc2s1)N/N=C/c1cccc(Cl)c1Cl 58989653 WIEOCQRCRNEWQH-UFFVCSGVSA-N 469.375 5.534 50 10 JKGE CC/C(=N\NC(=O)CCCSc1nnc(CCc2ccccc2)n1-c1ccccc1)c1ccccc1 58990895 JLBWZJVGHXOPMI-URGPHPNLSA-N 497.668 5.855 50 10 JKGE CCCCCCCCCCCCCCCCCCOC(=O)N[C@H]1CS(=O)(=O)C[C@H]1Cl 59568233 LUNKVNFGCDYLKV-YADHBBJMSA-N 466.128 6.379 50 10 JKGE COc1ccc(Br)c(COc2ccc(Br)cc2CBr)c1 115758143 SIEFERLSKDUGOG-UHFFFAOYSA-N 464.979 5.694 50 10 JKGE CCOc1ccc([C@H](Br)c2cc(Br)ccc2F)c(Br)c1 123768346 ZLCWHFMMQLWGOV-HNNXBMFYSA-N 466.970 6.234 50 10 JKGE COc1c(C)cc(Br)c(C)c1[C@@H](Br)c1c(Cl)cccc1Cl 125724348 XLJPBTYJIHUFTA-OAHLLOKOSA-N 453.001 6.866 50 10 JKGE Cc1ccc(F)cc1CC(CBr)(CBr)c1ccccc1Br 126887656 HUSOOORHOLSHFB-UHFFFAOYSA-N 479.025 6.167 50 10 JKGE Clc1ccc([C@@H](CI)OCc2ccc(Br)cc2)cc1 162533908 SBYXSPHURYNNPW-OAHLLOKOSA-N 451.529 5.795 50 10 JKGE COc1ccc(N(C(=O)CCl)[C@H](C(=O)N[C@@H]2CCCC[C@@H]2C)c2ccc(Cl)cc2)cc1 169691476 NUEHDRUECPZKTP-YTJPUZGESA-N 463.405 5.357 50 10 JKGE CCc1ccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)/C=C\c4ccc(OC)cc4)ccc32)cc1 205652315 HXCUMTZHBFNRDL-KZIZLACBSA-N 452.510 5.095 50 10 JKGE CCCOc1ccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)/C=C\c4ccccc4)ccc32)cc1OCC 205656452 GBRBHOVCSDUXET-WOGJUPMISA-N 496.563 5.711 50 10 JKGE CCCCCCOc1ccc(/C=C(/C#N)C(=O)Nc2nc(-c3cccc(OC)c3)cs2)cc1OC 206694110 XIIVMJVUSLCCFQ-STZFKDTASA-N 491.613 6.332 50 10 JKGE N#C/C(=C/c1ccc(OC(F)(F)[C@H](F)C(F)(F)F)cc1)C(=O)Nc1ccccc1C(F)(F)F 213148556 AFUOBIUGQLGOMS-QJWNTBNXSA-N 482.302 6.123 50 10 JKGE C[C@@H](N/C=C(/C#N)C(=O)Nc1ccccc1Sc1ccccc1)C12CC3CC(CC(C3)C1)C2 217243414 WVKAQCKIHMRHIW-RTCHEUMGSA-N 457.643 6.378 50 10 JKGE O=C(NN=Cc1ccc(-c2ccc([N+](=O)[O-])cc2)o1)c1ccc(CSCc2ccccc2)cc1 254483513 JYYBPGIRVJMNJZ-UHFFFAOYSA-N 471.538 6.052 50 10 JKGE CCCCCCCCCCCCCCCCCC(=O)NN=Cc1ccc(OCC(=O)O)cc1 254615344 IRURLAJUWWBQGC-UHFFFAOYSA-N 460.659 6.862 50 10 JKGE CC(=NNC(=O)c1cc(-c2ccccc2)nc2c(Cl)cccc12)c1ccccc1OC(C)C 254672625 KXOQIFFMPNTHSW-UHFFFAOYSA-N 457.961 6.496 50 10 JKGE CCn1c(SCC(=O)NN=Cc2ccc(C(C)C)cc2)nnc1-c1ccc(C(C)(C)C)cc1 254739341 ASHMVONWPYBQJP-UHFFFAOYSA-N 463.651 5.628 50 10 JKGE Cc1ccc(C(O)(C(=O)N(N=Cc2ccc([N+](=O)[O-])cc2)c2ccccc2)c2ccc(C)cc2)cc1 254765874 MMRIFNAMKONMQO-UHFFFAOYSA-N 479.536 5.515 50 10 JKGE O=C(NN=Cc1c[nH]c2ccccc12)c1cc(-c2ccc(Br)cc2)nc2ccccc12 254841834 WBZDXRUKDZCVQG-UHFFFAOYSA-N 469.342 5.910 50 10 JKGE BrCc1cc(Br)ccc1N1C[C@@H]2CN(Cc3ccccc3)CC[C@H]2C1 311182680 ZLGHXFKTFQNHSQ-HKUYNNGSSA-N 464.245 5.302 50 10 JKGE Cn1ncc([C@H](Cl)c2ccc(Br)c3ccccc23)c1I 381894392 KGXOTCPSPOKGGT-CQSZACIVSA-N 461.528 5.269 50 10 JKGE O=C(OCc1ccccc1)N1C[C@H](CCl)[C@H](c2cc(I)ccc2F)C1 382709475 GKZVXJWPARRVKA-WMLDXEAASA-N 473.713 5.021 50 10 JKGE COc1cccc([C@H](Br)c2cc(Br)c(C)cc2Br)c1C 691197813 SRYNUJJBUNDDAC-INIZCTEOSA-N 463.007 6.321 50 10 JKGE CC(C)Cc1ccc([C@H](Br)c2scc(Br)c2Br)cc1 705470138 YFDIDMXZFNPCGY-ZDUSSCGKSA-N 467.064 6.956 50 10 JKGE C[C@@H](Cl)c1nc2cc(I)c(F)cc2n1CC(C)(C)N(C)Cc1ccccc1 714233164 MFBRSGAZDVRNLB-CQSZACIVSA-N 499.799 5.990 50 10 JKGE Clc1cccc(C[C@@H](CBr)Cc2cccc(Br)c2)c1Br 719422849 SFMAHDJZOXEXQW-LBPRGKRZSA-N 481.453 6.661 50 10 JKGE O=C(NN=Cc1ccccc1OCc1ccccc1)c1ccn(Cc2ccc(Br)cc2)n1 1084400553 BCEDWRIUAWUKNY-UHFFFAOYSA-N 489.373 5.037 50 10 JKGE COc1ccccc1/C(C#N)=C/c1ccc(OC(=O)CCCOc2ccc(Cl)cc2Cl)cc1 1615099331 DPSZXLCENHMQTB-XDJHFCHBSA-N 482.363 6.831 50 10 JKGE 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 1615811142 FPFAZZFTBDKRJL-LKDVXTIPSA-N 496.688 6.212 50 10 JKGE Cc1cccc(C(=O)NN=C2CCCc3oc(C(=O)NN(c4ccccc4)c4ccccc4)c(C)c32)c1 1772744375 CMVPHRMZLCVKPY-UHFFFAOYSA-N 492.579 5.850 50 10 JKGE Cc1ccc2c(CC(=O)NN=C3CCCc4oc(C(=O)NC5CCCC5)c(C)c43)coc2c1C 1772751972 QGKXCXPIEANRQJ-UHFFFAOYSA-N 461.562 5.023 50 10 JKGE CCCc1nn(Cc2ccc(Cl)cc2)c2c1[C@H](c1ccc(Cl)c(Cl)c1)C(C#N)=C(N)O2 1865685968 POJRUHSPHTXVGS-HXUWFJFHSA-N 473.791 6.062 50 10 JKGE CCOc1ccc([C@@H]2C(C#N)=C(N)Oc3c2c(CC)nn3Cc2cccc(Cl)c2)cc1OCC 1865688894 DLDUCVPSSBPYOB-HSZRJFAPSA-N 478.980 5.163 50 10 JKGE CCCc1nn(-c2ccc(Cl)c(Cl)c2)c2c1[C@@H](c1c[nH]c3ccccc13)C(C#N)=C(N)O2 1865698811 CZULCPNPMYSJDY-OAQYLSRUSA-N 464.356 5.831 50 10 JKGE CCN(Cc1ccccc1)c1ccc([C@H]2C(C#N)=C(N)Oc3c2c(C)nn3-c2ccc(C)cc2)cc1 1865707157 PGDCWMXGJGOXNW-NDEPHWFRSA-N 475.596 5.734 50 10 JKGE COCCOc1ccc(/C=C(\C#N)C(=O)N2CCC(c3cccc(C(F)(F)F)c3)CC2)cc1 1866386329 TXHHTQKCXQNNBI-RCCKNPSSSA-N 458.480 5.044 50 10 JKGE Cc1nc(Nc2ccc(SC#N)cc2)cc(N2CCc3ccccc3[C@@H]2CCc2ccccc2)n1 1868480126 HDLCCYIKQHGNBF-MHZLTWQESA-N 477.637 6.838 50 10 JKGE CCc1ccc(-c2csc(/C(C#N)=C(\O)c3ccc4c(c3)C(=O)N(Cc3ccccc3)C4=O)n2)cc1 1872744072 GGIJFMYUCLGOEP-LCUIJRPUSA-N 491.572 6.119 50 10 JKGE CCc1ccc(-c2csc(/C(C#N)=C(\O)[C@H](C)Oc3ccc(Cl)cc3Br)n2)cc1 1872744552 XXFMZQYPZBGVBB-ZCBJIMFGSA-N 489.822 7.049 50 10 JKGE C[C@@H](Oc1ccc(Cl)cc1Cl)/C(O)=C(\C#N)c1nc(-c2ccc(Cl)cc2Cl)cs1 1872744738 GHRJVNSFIXQEQF-OIURLTOFSA-N 486.207 7.684 50 10 JKGE C[C@H](/C(O)=C(\C#N)c1nc(-c2ccc(Cl)c(Cl)c2)cs1)N1C(=O)c2ccccc2C1=O 1872748809 OPKOQPBFJGSZHH-QNPMFDGYSA-N 470.337 5.594 50 10 JKGE CCOc1ccc(-c2csc(/C(C#N)=C(\O)CCc3nc4ccccc4[nH]c3=O)n2)c(OCC)c1 1872755264 GFOSQEGCMOSBML-NKFKGCMQSA-N 488.569 5.269 50 10 JKGE COc1cc(/C=C(\C#N)c2nc(-c3cc(C)ccc3OC)cs2)ccc1OC(=O)c1ccccc1 1872791757 RRAJLLZUTLFXFD-KGENOOAVSA-N 482.561 6.419 50 10 JKGE Cc1ccccc1COc1ccc(/C=N/NC(=O)[C@H](Cc2ccccc2)NC(=O)OC(C)(C)C)cc1 1873795301 WLVCZKPWTJWPDC-SIMFPYGHSA-N 487.600 5.160 50 10 JKGE Brc1sc(Br)c([C@@H](Br)C2COC2)c1Br 1884434909 SEHFCOHLYUMHGQ-YFKPBYRVSA-N 469.818 5.118 50 10 JKGE CCOc1cccc(N(CCN(C)Cc2ccccc2)Cc2ccccc2)c1CBr 1902236174 RNGNMHDHBIISAH-UHFFFAOYSA-N 467.451 6.119 50 10 JKGE O=C(O)[C@@H]1CN(C(=O)OCC2c3ccccc3-c3ccccc32)C[C@H]1CCCC[C@H]1CCSS1 1906085538 LKEQONLYQCBGPY-YDIMBITNSA-N 497.682 6.282 50 10 JKGE CC(C)(CBr)N(Cc1ccccc1)c1ncc(Br)c2ccsc12 1915755984 FYOUMPKBADYJTN-UHFFFAOYSA-N 454.231 6.239 50 10 JKGE CC(C)(CBr)N(Cc1ccccc1)Cc1cc(Br)cc2c1OCC2 1915765015 BCMNRNZWROARSC-UHFFFAOYSA-N 453.218 5.560 50 10 JKGE Cc1c(Br)sc([C@H](Br)[C@H]2CCCC3(CC3)C2)c1Br 1922907664 WPXVLSQZCREHIN-GXSJLCMTSA-N 457.069 6.988 50 10 JKGE CSc1ccccc1[C@@H](Br)c1sc(Br)cc1Br 1922935631 RMNSPUNAUFYQTH-LLVKDONJSA-N 457.050 6.479 50 10 JKGE C[C@H](c1ccncc1Br)[C@@H](Br)c1ccc(F)c(Br)c1 1924038450 FZSNSUNETYQHFO-XLKFXECMSA-N 451.959 5.985 50 10 JKGE C[C@H](c1ccccc1)[C@@H](Cl)c1c(Br)sc(Br)c1Br 1924585356 KTMXEVRKUDNZLK-RDDDGLTNSA-N 473.455 7.119 50 10 JKGE Clc1sc(Br)c(Cl)c1[C@@H](Br)Cc1ccc(Br)cc1 1925585664 PWCGLWHOMUWAFJ-QMMMGPOBSA-N 493.873 7.259 50 10 JKGE Fc1ccc(Br)c([C@@H](Br)c2c(Cl)sc(Cl)c2Cl)c1 1925587836 MFEXTNJHBQKNQH-MRVPVSSYSA-N 453.385 7.094 50 10 JKGE Clc1ccc(C[C@H](Br)c2c(Cl)sc(Br)c2Cl)cc1Cl 1925590993 SXZLJUNYNPMTDE-LURJTMIESA-N 483.867 7.803 50 10 JKGE CC1(C)CC[C@]2(CC[C@](C)(CI)O2)[C@H](CNC(=O)OC(C)(C)C)C1 1927122011 MKHDESDUDWZSEI-KYNGSXCRSA-N 451.389 5.080 50 10 JKGE Cc1sc([C@H](Br)c2nn(C)c(Cl)c2Br)cc1Br 2001993350 KJZNLWYJNHKMAB-ZETCQYMHSA-N 463.420 5.453 50 10 JKGE Fc1cc(Br)cc(N(Cc2ccccc2)C2CCCCC2)c1CBr 2004047474 OPZGQOJDKVYTHU-UHFFFAOYSA-N 455.209 6.822 50 10 JKGE CCn1ncc(Br)c1[C@@H](Cl)c1cc(Br)ccc1Br 2033240504 KTSLMYKIYRYSOZ-NSHDSACASA-N 457.391 5.519 50 10 JKGE BrCC(CBr)(Cc1ccsn1)c1ccccc1Br 2035786174 XEOCEODITKJWHQ-UHFFFAOYSA-N 454.025 5.176 50 10 JKGE Cl[C@@H](CC12CCC(CC1)C2)c1c(Br)sc(Br)c1Br 2039381172 OKYYXJVZAFHNOR-DMWDQNTBSA-N 477.487 7.286 50 10 JKGE BrCc1ccc(N2CC[C@@H]3CN(Cc4ccccc4)C[C@H]3C2)c(Br)c1 2049666169 ZFIWTQBRIUUFFQ-MOPGFXCFSA-N 464.245 5.302 50 10 JKGE Cc1sc([C@H](Br)c2c(Br)nn(C)c2C)c(C)c1Br 2067859478 AAAWVJKXQQJWPJ-SNVBAGLBSA-N 457.029 5.416 50 10 JKGE Clc1c(Br)sc(Br)c1[C@@H](Br)C1(CC2CCC2)CC1 2069579503 AYZRDXUEXWGLEX-SNVBAGLBSA-N 477.487 7.333 50 10 JKGE Cc1cccc([C@H](Cl)c2c(Br)sc(C)c2C)c1I 2082874434 VHJWNLAVHYYQEP-LBPRGKRZSA-N 455.586 6.369 50 10 JKGE C[C@@H](CBr)[C@H]1CCCCN1Cc1ccc(Br)cc1Br 2092266380 LLKCRRICPCAEQE-XHDPSFHLSA-N 454.044 5.597 50 10 JKGE CC(C)(COc1c(Br)cc(CBr)cc1Br)C(F)(F)F 2094193169 BJJAMECIYNLTJK-UHFFFAOYSA-N 468.933 6.074 50 10 JKGE BrC[C@H]1CC2(CCC2)CN1Cc1cccc(Br)c1Br 2095173738 RFKWZUANWXRSRZ-GFCCVEGCSA-N 452.028 5.351 50 10 JKGE COc1cc(Br)c(C)cc1[C@H](Br)c1cc(C)sc1Br 2101001865 WLCYVXDCTFKPJA-ZDUSSCGKSA-N 469.036 6.383 50 10 JKGE Clc1cccc(CC[C@H](Br)c2ccccc2Br)c1Br 2113436947 OWHJFHQPOKRUMP-ZDUSSCGKSA-N 467.426 6.934 50 10 JKGE CN(Cc1ccccc1)CC1CCN(c2cc(Br)cc(F)c2CBr)CC1 2114267620 LEWDVCUTDAFERG-UHFFFAOYSA-N 484.251 5.832 50 10 JKGE Clc1ccc([C@H](Br)c2cc(I)sn2)c2ccccc12 2120031722 KCCFGKOAORLQMV-AWEZNQCLSA-N 464.553 6.039 50 10 JKGE Cc1c(Br)ccc([C@H](Br)C2(CC3CCC3)CC2)c1Br 2138850963 NYINMZSSEFWNCM-HNNXBMFYSA-N 451.040 6.926 50 10 JKGE Brc1scc([C@@H](Br)c2cnn(-c3ccccc3)c2)c1Br 2150341512 DUDHWQPDPAERCR-LBPRGKRZSA-N 477.019 5.943 50 10 JKGE Cc1cccc(C[C@@H](CBr)Cc2c(Br)cccc2Br)c1 2150496264 SVONOZHDOSOICA-CQSZACIVSA-N 461.035 6.316 50 10 JKGE Cc1cc(Br)c([C@@H](Br)c2cc(C3CC3)c(Br)s2)cc1Cl 2151034321 XTEJMDAPCUMZRS-CQSZACIVSA-N 499.493 7.597 50 10 JKGE ClCc1nc2cc(Br)c(Cl)cc2n1Cc1csnc1Br 2159873508 HSYSHDXRANVZLS-UHFFFAOYSA-N 455.990 5.458 50 10 JKGE CN(Cc1cc(Cl)ccc1I)C1(CBr)CC2(CCC2)C1 2164586600 UJAKVSZNSZUGQJ-UHFFFAOYSA-N 468.604 5.474 50 10 JKGE FC1(F)[C@H]2C[C@H](Oc3c(Br)cc(CBr)cc3Br)CC[C@H]21 2166006762 VWJLBNUZUGJPRK-BBBLOLIVSA-N 474.965 5.919 50 10 JKGE Cc1cc(Br)c([C@@H](Br)[C@@H]2CCCCC23CCC3)cc1Br 2173623499 VABKTQCGEUYQDJ-XJKSGUPXSA-N 465.067 7.317 50 10 JKGE O=C(NCC[C@H]1CCCC[C@@H]1Br)c1ccc(I)c(Cl)c1 2179638577 XQWXTIRXIUECIU-PWSUYJOCSA-N 470.576 5.018 50 10 JKGE CCc1ccc(S(=O)(=O)N(Cc2ccccc2)C2CCCCC2)cc1CBr 2179859540 FSGLWLSFEMKUIS-UHFFFAOYSA-N 450.442 5.668 50 10 JKGE Cc1cc(Br)c(C)c([C@H](Br)[C@H]2CCCCC2(F)F)c1Br 2201069232 JNDMTEZHDVSFLC-QMTHXVAHSA-N 475.009 7.090 50 10 JKGE Cc1ccc([C@@H](Br)c2c(C)c(Br)cc(C)c2Br)c(C)c1 2201071738 GSSJWPYGTNRVRL-QGZVFWFLSA-N 461.035 6.930 50 10 JKGE Clc1cc(Br)c([C@H](Br)c2coc(Br)c2)c(Cl)c1Cl 2217610769 MJCSJANIBALLSH-SECBINFHSA-N 498.223 7.249 50 10 JKGE Cc1cc(Br)c([C@@H](Cl)c2ncsc2Br)c(C)c1Br 2220156518 OYADUBBDFKFSBT-SNVBAGLBSA-N 474.443 6.376 50 10 JKGE C[C@]1([C@@H](Br)c2c(Br)cc(Cl)c(Cl)c2Cl)COCCO1 2224313813 VPOSXOSXESLRGU-NWDGAFQWSA-N 453.385 5.651 50 10 JKGE C[C@@H](Cl)c1nc2cc(Br)ccc2n1C[C@@H]1CC1(Br)Br 2224804337 JRTUDLOFLGBUCM-SFYZADRCSA-N 471.418 5.605 50 10 JKGE COc1ccc([C@@H](Br)c2sc(Br)c(C)c2C)cc1Br 2225847293 IXPWECVJBZUURL-GFCCVEGCSA-N 469.036 6.383 50 10 JKGE Cc1cc(Br)c([C@H](Br)[C@@H]2CCC[C@H]3C[C@@H]32)c(C)c1Br 2227359473 ILBVSUFSSDLFPS-MEQWQQMJSA-N 451.040 6.701 50 10 JKGE COc1cc(Br)c([C@H](Br)c2c(C)nsc2Br)cc1C 2227734882 OZLNOHBCSVULTA-LBPRGKRZSA-N 470.024 5.778 50 10 JKGE Clc1cc(Br)c([C@@H](Cl)Cc2ccccc2Br)c(Cl)c1Cl 2232509115 IIJCPJAEJVCYJW-JTQLQIEISA-N 477.838 7.694 50 10 JKGE Cc1sc([C@H](Cl)c2csc3c(Br)cccc23)c(C)c1Br 2234471340 RGVRRHBXUVTLMD-CYBMUJFWSA-N 450.648 7.433 50 10 JKGE Cc1cc(Br)c([C@H](Br)C2CCCCCCC2)c(C)c1Br 2235602758 FFQRQFQZDIGSGE-QGZVFWFLSA-N 467.083 7.625 50 10 JKGE Cc1c(Br)sc([C@@H](Br)c2scc(Br)c2Cl)c1C 2246475698 LTRNIPFUGDPUEU-SSDOTTSWSA-N 479.484 7.089 50 10 JKGE Brc1cc2sc([C@@H](Br)c3ccsc3Br)cc2s1 2252911345 RIOCTISNXGMABD-JTQLQIEISA-N 473.074 7.034 50 10 JKGE C[C@](CBr)(OC1CCN(Cc2ccccc2)CC1)c1ccccc1Br 2259433187 OMEAJVDESUOVQA-OAQYLSRUSA-N 467.245 5.740 50 10 JKGE CCN(C[C@@](C)(CI)OCC[C@H]1CCCCC12CC2)C(=O)OC(C)(C)C 2264863902 ZHSLCVWIPVHASK-YLJYHZDGSA-N 479.443 5.814 50 10 JKGE Fc1cc([C@H](Br)Cc2cc(Br)cc(Br)c2)ccc1Cl 2277960877 MQNAKLWNNRUARK-GFCCVEGCSA-N 471.389 6.683 50 10 JKGE COc1cc(Cl)c([C@H](Br)c2cccc(Cl)c2Br)cc1Cl 2283202583 RCROSRVPCFGYMU-CYBMUJFWSA-N 459.392 6.902 50 10 JKGE Cc1cc(C)c(COc2c(Br)cc(Br)cc2CBr)cn1 2284031310 MIXWRFYYNVYTLQ-UHFFFAOYSA-N 463.995 5.697 50 10 JKGE FCC12CC([C@H](Br)c3c(F)cc(Br)c(F)c3Br)(CO1)C2 2288348003 ALOAAQFUEUJOEM-PNESKVBLSA-N 478.928 5.445 50 10 JKGE Fc1cc(Br)c(F)c(Br)c1[C@H](Br)C1CC(C(F)(F)F)C1 2288481356 UNWNUIPXTHZHAD-PACJAATDSA-N 486.898 6.514 50 10 JKGE CSc1ccccc1[C@@H](Br)c1c(F)cc(Br)c(F)c1Br 2288492407 FYEHDLUSTUTIBA-GFCCVEGCSA-N 487.001 6.696 50 10 JKGE BrCCCC[C@H](Cc1ccccc1)O[C@H](CCCCBr)Cc1ccccc1 2295149741 KGWHFBLERZDVDK-DNQXCXABSA-N 496.327 7.356 50 10 JKGE N#CC(=CNc1ccc(Br)cc1)c1nc(-c2ccc(Br)cc2)cs1 2295891528 FFTBUXJZKOLZOL-UHFFFAOYSA-N 461.182 6.312 50 10 JKGE Cc1ccc(Oc2nc3c(C)cccn3c(=O)c2C=C(C#N)c2nc3ccccc3s2)cc1 2296718467 JNCVMAWGFABSEY-UHFFFAOYSA-N 450.523 5.778 50 10 JKGE CCCCOC(=O)c1ccc(-c2ccc(C=C(C#N)C(=O)Nc3ccccc3[N+](=O)[O-])o2)cc1 2296819156 CTYFXESBEYQMRM-UHFFFAOYSA-N 459.458 5.357 50 10 JKGE Brc1ccc(OCc2ccccc2)c([C@H](Br)CC2CCOCC2)c1 2299488273 FLNCIYZFXRHKRX-LJQANCHMSA-N 454.202 6.281 50 10 JKGE CCOc1ccc(NC(=O)C(C#N)=Cc2cc(Cl)ccc2OCc2ccccc2Cl)cc1 2313724645 PXSZRMSZEAPQLT-UHFFFAOYSA-N 467.352 6.517 50 10 JKGE Cc1ccc(-c2nc(C(C#N)=CC3=Cc4ccccc4O[C@H]3C)sc2NC(=O)c2cccs2)cc1 2314433411 MZEKOTZECYVQKS-SFHVURJKSA-N 495.629 7.204 50 10 JKGE CC1=C(C#N)C(=O)N(Cc2ccc(C)cc2)C(=O)C1=Cc1ccc(OCc2ccc(C)cc2)cc1 2314616874 LQVWAVZKMLCNSS-UHFFFAOYSA-N 462.549 5.675 50 10 JKGE CCCCOc1ccc(C=C(C#N)C(=O)Nc2sc3c(c2C(=O)OC)CC[C@H](C(C)(C)C)C3)cc1 2314737726 NOCLUUHOJMFPKH-FQEVSTJZSA-N 494.657 6.410 50 10 JKGE CC12CC(C1)[C@H]([C@H](Br)c1c(Br)sc(Br)c1Cl)CO2 2315928220 NNWQYTZONBQPPS-XRBXBCIPSA-N 479.459 6.178 50 10 JKGE Fc1cc([C@@H](Br)c2sc(Cl)cc2I)cc(F)c1F 2316598565 DYSJTVSSGPVDMA-SECBINFHSA-N 467.475 5.908 50 10 JKGE Cc1cc(Br)c(F)c(Br)c1[C@@H](Br)c1sccc1Cl 2317419097 SQAVKSQZXCWBBC-SNVBAGLBSA-N 477.418 6.858 50 10 JKGE COc1cc(C=C(C#N)c2cccc(Cl)c2)ccc1OC(=O)COc1ccc(Cl)cc1 2320506780 RKMNDZSFNGUESA-UHFFFAOYSA-N 454.309 6.051 50 10 JKGE O=C(c1csc(Br)c1Br)N1CC[C@H]2C[C@H](Br)CC[C@H]21 2328781098 PDBCOHOVRQJCBW-QXFUBDJGSA-N 472.040 5.051 50 10 JKGE COc1cccc(-c2csc(C(C#N)=C(O)CCCOc3ccc(Cl)cc3Cl)n2)c1 2331249183 ZPWSSEVBMUMCKA-UHFFFAOYSA-N 461.370 6.777 50 10 JKGE COC(=O)c1ccccc1N1C[C@@H](C(O)=C(C#N)c2nc(-c3ccc(Cl)cc3)cs2)CC1=O 2331299253 NBDWFCCWCBRNJI-HNNXBMFYSA-N 479.945 5.096 50 10 JKGE CC(C)(C)c1ccc(-c2csc(C(C#N)=C(O)C=Cc3ccc(Cl)cc3Cl)n2)cc1 2331331519 JKFQEKBNWUBDRQ-UHFFFAOYSA-N 455.410 7.920 50 10 JKGE C[C@@H](c1ccccc1)N1C[C@H](C(O)=C(C#N)c2nc(-c3ccc(F)c(F)c3)cs2)CC1=O 2331351931 NDFQZIUEIQWBCE-WMLDXEAASA-N 451.498 5.491 50 10 JKGE COc1cc(C)c(-c2csc(C(C#N)=C(O)CCCOc3ccc(Cl)cc3)n2)cc1C(C)C 2331355986 AJSUYLRQZFVIFQ-UHFFFAOYSA-N 483.033 7.556 50 10 JKGE COc1cc(C=CC(O)=C(C#N)c2nc(-c3cc(Cl)ccc3Cl)cs2)ccc1OC(C)=O 2331404691 XISUTQALNRUJHP-UHFFFAOYSA-N 487.364 6.557 50 10 JKGE COc1ccc(-c2csc(C(C#N)=Cc3cc(Br)ccc3O)n2)c2ccccc12 2331489398 ZBDAIOFUFLVZAE-UHFFFAOYSA-N 463.356 6.504 50 10 JKGE Fc1ccc(F)c([C@H](Br)c2ccc(OCc3ccccc3)cc2Br)c1F 2336052789 DGXHFKHRXGNBTB-LJQANCHMSA-N 486.125 6.930 50 10 JKGE Cc1ccc(CBr)c(OCc2ccc(Cl)c(I)c2)c1 2337270571 MSUVZQVZIPPQDJ-UHFFFAOYSA-N 451.529 5.727 50 10 JKGE Clc1cc(I)c([C@H](Br)[C@H]2C[C@H]2C2CCCCCC2)s1 2338557100 RZVJVEGGOSXLBY-COPLHBTASA-N 473.645 7.049 50 10 JKGE Cc1cc(Br)c(F)c(Br)c1[C@H](Br)CC[C@H]1CC1(C)C 2339682182 PQNRIKOTDLCIEM-VHSXEESVSA-N 457.019 6.921 50 10 JKGE CC1(C)CC[C@@H](Cc2ccc(I)c(Br)c2)[C@H](Cl)CC1 2349778905 PPKDLDABOLDRBA-GXTWGEPZSA-N 455.605 6.420 50 10 JKGE ClCc1nc2cc(I)ccc2n1[C@H]1C[C@@H]2C[C@@H](OCc3ccccc3)C[C@H]12 2357092664 ZGBPTMPIGQTIPP-DKXUYOFUSA-N 492.788 5.936 50 10 JKGE BrCC(CBr)(C[C@H]1C[C@@H]2CC[C@H]1C2)c1ccc(Br)cc1 2359332897 RHSGHTZEAZAUHZ-HZSPNIEDSA-N 465.067 6.303 50 10 JKGE O=C(c1scc(Br)c1Br)N1CC[C@@H](Br)C[C@H]1C(F)(F)F 2361454401 ILZBGXPVFVQWPK-VDTYLAMSSA-N 499.972 5.204 50 10 JKGE FC(F)(F)[C@H]1[C@@H](Br)CCCN1Cc1cccc(Br)c1Br 2370292133 NSBZDAMTIKJPJV-CMPLNLGQSA-N 479.960 5.502 50 10 JKGE CCc1cc(Br)c(OC)c([C@@H](Br)c2c(C)nsc2Br)c1 2381253013 FRTVLGUXXCZZBK-GFCCVEGCSA-N 484.051 6.032 50 10 JKGE CCOc1ccc(N/C(SCc2ccc(C)cc2C)=C(/C#N)C(=O)NCc2ccco2)cc1 3058938 APNUGUDHYZDDPU-SHHOIMCASA-N 461.587 5.692 50 10 JKGE O=C(CCC(=O)Nc1cc(Cl)ccc1Cl)N/N=C/c1ccc(OCc2ccccc2)cc1 3112480 QFSFALAEWBDCRD-JFLMPSFJSA-N 470.356 5.441 50 10 JKGE CCCCCCOc1ccc(C(=O)NNC(=O)c2ccc(OCCOc3ccccc3)cc2)cc1 14039535 QYENTJMVTRYWLM-UHFFFAOYSA-N 476.573 5.178 50 10 JKGE CC(C)(C)c1ccc(OCC(=O)NNC(=O)c2ccc(OCc3ccccc3)cc2)c(C(C)(C)C)c1 14661793 JARPKUISBRBCHV-UHFFFAOYSA-N 488.628 5.701 50 10 JKGE CCN(CC)C(=O)Oc1ccc2c(ccn2Cc2ccccc2Cl)c1NC(=O)[C@@H](C)Cl 23429288 DZFARPRIGUPPDM-OAHLLOKOSA-N 462.377 5.749 50 10 JKGE Cc1cc(C)c(N2C(=O)N=C(O)/C(=C/c3ccc4c(c3)CCN4CCCCl)C2=O)c(C)c1 33408760 DPRGUZJLHSLJBX-ZHZULCJRSA-N 451.954 5.110 50 10 JKGE COc1ccc(NC(=O)/C(C#N)=C\c2cccc(OC)c2OCc2ccc(Cl)cc2Cl)cc1 34700864 FXXIXKGAOMITRV-PDGQHHTCSA-N 483.351 6.135 50 10 JKGE CCCCOc1cccc(C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@H]3c2ccc(Cl)cc2)c1 38651400 CBQBUFJCSDZSDN-VWLOTQADSA-N 474.944 5.956 50 10 JKGE CCCOc1c(Cl)cc(C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@@H]3c2ccco2)cc1Cl 38688493 FMNXGRQPQAXNSS-OAQYLSRUSA-N 485.323 5.813 50 10 JKGE CCc1ccc(Oc2nc3c(C)cccn3c(=O)c2/C=C(\C#N)C(=O)Nc2ccc(C)c(C)c2)cc1 39992931 DCNDCLJSPNHQGE-CJLVFECKSA-N 478.552 5.520 50 10 JKGE COc1ccccc1NC(=O)c1oc2c(c1C)/C(=N/NC(=O)c1cccc3ccccc13)CCC2 40813600 XFQQZZFFFIKXNO-JBASAIQMSA-N 467.525 5.473 50 10 JKGE CCN(C(=O)c1oc2c(c1C)/C(=N/NC(=O)c1ccc(-c3ccccc3)cc1)CCC2)c1ccccc1 40822776 ZCFPUWXTRRSVQG-HMZBKAONSA-N 491.591 6.392 50 10 JKGE Cc1ccc(NC(=O)/C(C#N)=C\c2cc(Cl)ccc2OCc2ccc(Br)cc2)cc1 59117639 ACYJKOMPBKETEL-UNOMPAQXSA-N 481.777 6.536 50 10 JKGE Cc1cc(C)nc(Sc2ccc(/C=C(/C#N)C(=O)Nc3ccc(Cl)cc3)cc2[N+](=O)[O-])n1 59219918 AZQYFFVNZXSWKV-YBEGLDIGSA-N 465.922 5.352 50 10 JKGE C[C@H](NC(=O)/C(C#N)=C/c1ccccc1OCc1ccc(Cl)cc1Cl)c1ccccc1 59297281 BOYVFECPFXPBSQ-RSZPVBOMSA-N 451.353 6.357 50 10 JKGE Cc1c(Br)ccc(N2C(=O)N=C(O)/C(=C\c3ccc(N(C)CCCl)cc3)C2=O)c1C 59859699 FOEZPFVHZOVSJC-SFQUDFHCSA-N 490.785 5.248 50 10 JKGE CCOC(=O)c1c(N/C=C(\C#N)c2nc(-c3cccc(OC)c3)cs2)sc(C(C)=O)c1C 97475378 DVYNKINANDERAL-LFIBNONCSA-N 467.572 5.545 50 10 JKGE CC1=C(C#N)C(=O)N(Cc2ccccc2)C(=O)/C1=C/c1ccc(OCc2ccccc2F)cc1 101335163 CIGCIFASFVTWLC-BUVRLJJBSA-N 452.485 5.197 50 10 JKGE CCCOc1ccc(-c2nn(-c3ccccc3)cc2/C=C(/C#N)C(=O)NCc2ccccc2)cc1 102858316 HCQJLIWYEYSGMF-MOHJPFBDSA-N 462.553 5.551 50 10 JKGE N#CC(/C=C1\C(=O)N(c2c(Cl)cccc2Cl)c2ccccc21)=C(\N)NCc1ccccc1 104246270 YSGPDSCBKMWRKF-ZOXTYSOWSA-N 461.352 5.539 50 10 JKGE CC(C)CCC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC=C4C[C@@H](OC(=O)CCCCl)CC[C@]4(C)[C@H]3CC[C@@]21C 118920357 FWOCLQPBUVEXDS-GTPODGLVSA-N 491.200 8.959 50 10 JKGE Brc1cc([C@H](Br)[C@H]2COc3ccccc32)sc1Br 128204784 KCDLDUWNFFKMSI-QPUJVOFHSA-N 452.993 5.885 50 10 JKGE Brc1ccsc1[C@H](Br)c1csc(I)c1 128555148 PQXZBYMZLXXRQF-MRVPVSSYSA-N 463.985 5.661 50 10 JKGE Cc1cc(Br)c([C@H](Br)c2cc3c(s2)CCCC3)cc1Br 128843158 CQXVXYHPKJRNLW-INIZCTEOSA-N 479.075 6.945 50 10 JKGE Fc1cc2nc(CCl)n(-c3ccc(Br)cc3Br)c2cc1Br 158567000 GXVNSXZZYBWACJ-UHFFFAOYSA-N 497.387 6.191 50 10 JKGE COc1cc(/C=C(\C#N)c2ccc(C)cc2)cc(Br)c1OCc1ccc([N+](=O)[O-])cc1 197611099 WRQRJIPCLABXBN-RGVLZGJSSA-N 479.330 6.318 50 10 JKGE CCCOc1ccccc1[C@@H]1C(C#N)=C(N)Oc2cc(OC(=O)/C=C\c3ccc(C)cc3)ccc21 205654493 RSKWWLNENVVIFQ-IKMPNWIVSA-N 466.537 5.621 50 10 JKGE CCOC(=O)c1c(-c2ccc(C)cc2C)csc1NC(=O)/C(C#N)=C\c1ccc(OCC)cc1 207207241 LAONYCUHTLDWKF-ZHZULCJRSA-N 474.582 6.153 50 10 JKGE Cc1ccc(N(C(=O)CCl)[C@H](C(=O)N[C@@H]2CCCC[C@H]2C)c2ccc(Cl)cc2)cc1C 230274906 RXHRPSUONFVIGL-BSDZUQITSA-N 461.433 5.965 50 10 JKGE Clc1ccc(C[C@@H](Br)c2ccc(I)c(Cl)c2)cc1Cl 232386397 APQLZUVBQXOKAI-SNVBAGLBSA-N 490.393 6.930 50 10 JKGE CC(C)(C)c1ccc(OCCN2C(=O)C(=NNC(=O)c3ccccc3Cl)c3ccccc32)cc1 252474450 FAMHGXBDRNPZIC-UHFFFAOYSA-N 475.976 5.197 50 10 JKGE COc1ccc(CC(=O)NN=Cc2cc(C)n(-c3cc(Cl)cc(Cl)c3)c2C)cc1OC 252637621 XUSXUFCBSVULSH-UHFFFAOYSA-N 460.361 5.111 50 10 JKGE COc1ccc(C(C)=NNC(=O)c2ccc(CSc3cccc4cccnc34)cc2)cc1OC 254521103 XUTJXPVCVCZSOB-UHFFFAOYSA-N 471.582 5.698 50 10 JKGE C/C(C=NNC(=O)CSc1nnc(-c2ccc(C)cc2)n1-c1ccc(C)cc1)=C/c1ccco1 254820896 JJKBSCOZJXRVDG-ZQATXKSVSA-N 471.586 5.442 50 10 JKGE O=C(OCc1ccccc1)N1C[C@@H](CI)[C@@H](c2ccc(Cl)c(F)c2)C1 382697669 BLEBEYSZLKBCSJ-HZPDHXFCSA-N 473.713 5.266 50 10 JKGE C[C@H](Cl)c1nc2cnccc2n1-c1ccc(I)cc1Br 383418118 BILRNGJAFYLKJU-QMMMGPOBSA-N 462.516 5.087 50 10 JKGE Cc1cc([C@@H](Br)c2cc(Br)cc(Br)c2)c(C)cc1F 386389579 FULSRTZUONGVCD-HNNXBMFYSA-N 450.971 6.452 50 10 JKGE CC1(CC(CBr)(CBr)c2cccc(Br)c2)CCCC1 389171518 JVAKDTKZOQALDY-UHFFFAOYSA-N 453.056 6.447 50 10 JKGE C[C@H]1CN(Cc2ccccc2)CC[C@@H]1n1c(CCl)nc2cc(I)ccc21 398188634 JNSGLSZNSNUXIS-KXBFYZLASA-N 479.793 5.463 50 10 JKGE Cc1cc([C@@H](Br)c2cc(Cl)c(Cl)c(Cl)c2Cl)ccc1Br 404659275 POXKEALEKACQNT-LLVKDONJSA-N 477.838 7.855 50 10 JKGE CC(C)(C)[Si](C)(C)OCCc1cccc([C@H]2CCCN(CCO[Si](C)(C)C(C)(C)C)CC2)c1 616600160 FOQCLJVSOPXKEV-VWLOTQADSA-N 491.909 7.842 50 10 JKGE CC(C)(C)OC(=O)NCCN1CCC[C@H](c2ccccc2CCO[Si](C)(C)C(C)(C)C)C1 616620581 IOXNPEWBKJZNQJ-QFIPXVFZSA-N 462.751 5.955 50 10 JKGE Cc1cc(Br)c([C@H](Br)[C@]23CCC[C@@H]2OCC3)cc1Br 687346648 WQQRTSBQEMYAQK-KKUMJFAQSA-N 453.012 5.915 50 10 JKGE Brc1cc2c(c([C@@H](Br)c3ccccc3OCc3ccccc3)c1)OCCC2 688365222 PQNDDDCIPYYINL-QFIPXVFZSA-N 488.219 6.837 50 10 JKGE C[C@H](Cl)c1nc2ccc(F)c(Br)c2n1[C@H]1CN(Cc2ccccc2)C[C@H]1C 689777224 CDDPGVIWAXRXNY-GLJUWKHASA-N 450.783 5.931 50 10 JKGE Brc1csc([C@@H](Br)c2ccc3c(c2)CCCO3)c1Br 705461653 BWGMLIQQENHLKQ-LBPRGKRZSA-N 467.020 6.082 50 10 JKGE Fc1c(Br)ccc(COc2cccc(Br)c2CBr)c1F 706818287 NENMLMHYBRAARD-UHFFFAOYSA-N 470.933 5.964 50 10 JKGE Cc1ccc([C@H](Br)c2sc(C)c(Br)c2C)cc1Br 724929034 UCMRNNCKUUFKMD-ZDUSSCGKSA-N 453.037 6.683 50 10 JKGE CCOc1ccc(C(=O)NN=Cc2cc(C)n(-c3ccc(-c4ccc([N+](=O)[O-])cc4)cc3)c2C)cc1 1083957930 YPBAVIOTJRIXJJ-UHFFFAOYSA-N 482.540 5.832 50 10 JKGE COc1cc(/C=C(\C#N)C(=O)Nc2ccc(Cl)cc2)ccc1OCc1ccccc1Cl 1084067766 IPUZTYYRIUMRQT-LDADJPATSA-N 453.325 6.127 50 10 JKGE CC(=NNC(=O)c1ccc(CSCc2ccccc2)cc1)c1ccc(Br)cc1 1084481301 GDKFRBUGCNVWKJ-UHFFFAOYSA-N 453.405 6.037 50 10 JKGE O=C(NN=Cc1ccc(-c2ccc([N+](=O)[O-])cc2Br)o1)c1cc2ccccc2o1 1084529208 TYRBRHGWXGMJTC-UHFFFAOYSA-N 454.236 5.127 50 10 JKGE CCOc1cc(/C=C(/C#N)C(=O)Nc2cc(C)ccc2C)ccc1OCc1ccccc1C#N 1084535452 TYMCAQDAQZNABS-OYKKKHCWSA-N 451.526 5.699 50 10 JKGE Cc1ccc(C(C)C)c(OC(=O)c2oc3c(c2C)C(=NNC(=O)c2ccc(F)cc2)CCC3)c1 1772744749 IYIVDWINZWCHRL-UHFFFAOYSA-N 462.521 5.849 50 10 JKGE O=C(N/N=C1\C(=O)N(Cc2ccccc2Cl)c2ccccc21)C(c1ccccc1)c1ccccc1 1860822749 LRFSOZWIAUDCIX-QVTSOHHYSA-N 479.967 5.539 50 10 JKGE CCCc1nn(-c2ccc(Cl)cc2)c2c1[C@@H](c1ccc(Cl)c(Cl)c1)C(C#N)=C(N)O2 1865685470 JLNFOIAHILELDU-IBGZPJMESA-N 459.764 6.003 50 10 JKGE CCCOc1ccc([C@@H]2C(C#N)=C(N)Oc3c2c(CCC)nn3-c2ccc(C)cc2)cc1OCC 1865687994 GFROPQFWSRDILL-RUZDIDTESA-N 472.589 5.539 50 10 JKGE CCCOc1cccc([C@@H]2C(C#N)=C(N)Oc3c2c(C(F)(F)F)nn3Cc2ccccc2F)c1 1865694138 QGHLPIUOWZHHSS-LJQANCHMSA-N 472.442 5.096 50 10 JKGE CCCc1nn(-c2ccccc2Cl)c2c1[C@H](c1cccc(OCc3ccccc3)c1)C(C#N)=C(N)O2 1865712180 RNALHRRGYDONLQ-AREMUKBSSA-N 496.998 6.275 50 10 JKGE C[C@H](Cl)C(=O)N(c1ccc(OCc2ccccc2)cc1)C1CCN(Cc2ccccc2)CC1 1865855027 WSZBZENHLLSCEN-QFIPXVFZSA-N 463.021 5.891 50 10 JKGE CCCC[C@@H](NC(=O)Cc1nc(-c2cccc(Cl)c2)oc1C)C(=O)Nc1ccc(SC#N)cc1 1866665897 QTDNDRXMEMOECW-OAQYLSRUSA-N 497.020 5.733 50 10 JKGE CC(C)(NC(=O)[C@H](c1ccc(Cl)cc1)C1CCCC1)C(=O)Nc1ccc(SC#N)cc1 1867005795 YCVCITWXQPUUGL-NRFANRHFSA-N 456.011 5.720 50 10 JKGE N#CSc1ccc(Nc2cc(N3CCNC(=O)[C@H]3c3ccc(F)cc3)nc(-c3ccccc3)n2)cc1 1868365900 YDOWTRBDXSBXJM-RUZDIDTESA-N 496.571 5.277 50 10 JKGE COCCN1[C@H](C)CN(c2cc(Nc3ccc(SC#N)cc3)nc(-c3ccc(F)cc3)n2)C[C@H]1C 1868456435 OMURLIODHRFQDJ-RTBURBONSA-N 492.624 5.145 50 10 JKGE CC(C)OC(=O)c1ccc(/C(C#N)=C/c2ccc(OCc3ccc(Br)cc3)cc2)o1 1872728737 QMPBKPVPOVNOKP-CPNJWEJPSA-N 466.331 6.250 50 10 JKGE N#C/C(=C(/O)C(c1ccccc1)c1ccccc1)c1nc(-c2ccc(Cl)cc2Cl)cs1 1872745081 VKKKAGNETIHSLM-GFMRDNFCSA-N 463.389 7.742 50 10 JKGE CCCCCCOc1ccc(/C(O)=C(\C#N)c2nc(-c3ccc4c(c3)CCCC4)cs2)cc1 1872745368 KEKXICHBZOHEBJ-RFBIWTDZSA-N 458.627 7.598 50 10 JKGE CC(C)CN1C(=O)c2ccc(/C(O)=C(\C#N)c3nc(-c4ccccc4Cl)cs3)cc2C1=O 1872746309 BTCRWKQDIBJDJF-UZYVYHOESA-N 463.946 5.665 50 10 JKGE CCOc1ccc(CC/C(O)=C(\C#N)c2nc(-c3cccc(Br)c3)cs2)cc1OC 1872747260 UZMXGLPHZJLDEI-ZZEZOPTASA-N 485.403 6.405 50 10 JKGE C[C@H](c1ccccc1)N1C[C@H](/C(O)=C(\C#N)c2nc(-c3cccc4ccccc34)cs2)CC1=O 1872752346 XZSCXKQZKDSDLG-MTYPCYMESA-N 465.578 6.366 50 10 JKGE COc1ccc(-c2csc(/C(C#N)=C(\O)Cc3ccc(OCc4ccccc4)cc3)n2)cc1Cl 1872756030 QNJIBNUJDWABMR-LVWGJNHUSA-N 488.996 7.086 50 10 JKGE COc1ccc(OC)c(/C=C/C(O)=C(\C#N)c2nc(-c3cc(OC)c(Cl)cc3OC)cs2)c1 1872756467 LCQDWEMSNAAIPL-VFFXKLFPSA-N 484.961 6.004 50 10 JKGE CCCOc1ccc(-c2csc(/C(C#N)=C(\O)c3cccc(OCC(C)C)c3)n2)cc1OCCC 1872818284 VQTUBBLFPVOXME-VYIQYICTSA-N 492.641 7.372 50 10 JKGE COc1ccc(C)cc1-c1csc(/C(C#N)=C(\O)[C@@H](C)Oc2ccc(Cl)cc2Cl)n1 1873920747 JSOFCTKIQCELOV-QIAIEURZSA-N 461.370 6.694 50 10 JKGE Cc1scc(C(=O)N(Cc2ccccc2)[C@@H](CBr)C2CC2)c1Br 1902872546 RIATUVVZWNATMD-INIZCTEOSA-N 457.231 5.635 50 10 JKGE Brc1ccc([C@H](Br)c2sc(Br)cc2Br)cc1 1922928853 DDLQXOAGTTXJQB-JTQLQIEISA-N 489.852 6.520 50 10 JKGE Cc1cc(Br)c([C@@H](Br)[C@H](C)C2CCCCC2)cc1Br 1923886658 JROXGWBGGHLBHS-BZNIZROVSA-N 453.056 7.172 50 10 JKGE Clc1sc(Br)c(Cl)c1[C@H](Br)c1csnc1Br 1925565887 IELAWLITMLESQW-SCSAIBSYSA-N 486.863 6.521 50 10 JKGE CC(C)C[C@@H]1CN(C(=O)OC(C)(C)C)CC[C@]12CCC[C@@H](CI)O2 1944828534 QOIFOSLYBLCPOL-JTDSTZFVSA-N 451.389 5.032 50 10 JKGE O=C(c1cc(I)ccc1F)N(Cc1ccccc1)[C@@H](CCl)C1CC1 2003650293 UCBGXEVFZMFLTD-SFHVURJKSA-N 457.714 5.090 50 10 JKGE ClC[C@@H](I)[C@H](CCl)OCc1cc(Cl)ccc1Br 2022699255 QZZNOQYEQZRUPG-MNOVXSKESA-N 472.375 5.269 50 10 JKGE Cl[C@@H](c1ccc(I)cc1)c1ccc(Br)cc1Br 2024283091 OUEGGOGNEOQJJM-ZDUSSCGKSA-N 486.372 6.144 50 10 JKGE COc1ccccc1C[C@H](Br)c1csc(Br)c1Br 2032954231 ZEKQMICEOFKXKX-JTQLQIEISA-N 455.009 5.960 50 10 JKGE Cc1cc(Br)c([C@@H](Cl)c2cc(Br)n(C)n2)cc1Br 2033076152 QAOCMNZXEDIZTA-GFCCVEGCSA-N 457.391 5.344 50 10 JKGE Brc1sc([C@@H](Br)c2ccccc2I)cc1C1CC1 2033642567 KGVHNHPNCZDLNL-ZDUSSCGKSA-N 498.021 6.477 50 10 JKGE Cc1cc(Br)c([C@H](Br)c2cc(Cl)n(C)n2)cc1Br 2036323897 LDQRMBOYQJXQLX-LBPRGKRZSA-N 457.391 5.391 50 10 JKGE C[C@H]1Cc2cc([C@H](Br)c3ccsc3Br)cc(Br)c2O1 2090457958 KAUZLMDZPUQMRJ-MADCSZMMSA-N 467.020 6.081 50 10 JKGE COc1cc(F)c([C@@H](Br)c2csc(Br)c2Br)c(F)c1 2093941896 FKZQGGAKKHKKCX-JTQLQIEISA-N 476.962 6.044 50 10 JKGE Cc1cccc([C@H](Br)c2cc(C3CC3)c(Br)s2)c1Br 2094672897 DZVXIPPQMYYXBC-AWEZNQCLSA-N 465.048 6.943 50 10 JKGE Cc1cc(Br)c([C@H](Br)[C@@H]2CC3(CCC3)CO2)cc1Br 2110158840 UAIVSKSGYMKUFP-KBPBESRZSA-N 453.012 5.915 50 10 JKGE Clc1c(Br)ccc(CBr)c1N1CC[C@H]2CN(Cc3ccccc3)C[C@H]2C1 2112430496 NEGCTFMCADKTOC-ROUUACIJSA-N 498.690 5.956 50 10 JKGE C[C@H](Cl)c1nc2cc(Cl)c(Br)cc2n1C1CC(OCc2ccccc2)C1 2112700901 CJVMJDPLIIQWPF-GRTSSRMGSA-N 454.195 6.672 50 10 JKGE FC1(F)CCC[C@@H]2[C@H]([C@H](Br)c3c(Cl)sc(Br)c3Cl)[C@@H]21 2114390840 CDTSJXOUTOKJHK-ROHCDXGRSA-N 454.989 6.935 50 10 JKGE Cc1cc(Br)c(CBr)c(N(C)Cc2cscc2Br)c1 2116806999 VJHYYDTZNUUTSQ-UHFFFAOYSA-N 468.052 6.113 50 10 JKGE C[C@@H](CCCCCBr)NC(=O)c1cc(Br)cc(Br)c1 2117891877 BICSDTGVPNMJIV-JTQLQIEISA-N 456.016 5.285 50 10 JKGE CO[C@H]1C[C@@H]([C@@H](Cl)c2c(Br)sc(Br)c2Cl)C[C@H]1OC 2118286094 ORKGHWVSWAVOLK-JVZYCSMKSA-N 453.023 5.646 50 10 JKGE Cc1ccc(CBr)cc1S(=O)(=O)N(Cc1ccccc1)Cc1cccs1 2123201017 QFJUFLZFHKUDJV-UHFFFAOYSA-N 450.423 5.343 50 10 JKGE Oc1nc2ccc([C@H](Br)c3c(Br)cccc3Br)cc2o1 2150495243 WDTYVKLLHYOMPK-ZDUSSCGKSA-N 461.935 5.543 50 10 JKGE O=C(Nc1cc(Br)c(Br)c(Br)c1)c1ccc(CCl)cc1 2151791886 ZVGOPIQZXHGAPP-UHFFFAOYSA-N 482.397 5.965 50 10 JKGE Cc1nc([C@H](Br)c2cc(Br)cc3c2O[C@@H](C)C3)c(Br)s1 2169495612 OMHMHGZVONQMNG-UPONEAKYSA-N 482.035 5.784 50 10 JKGE Cc1cc(Br)c(CBr)c(N2CC[C@@H]3CCN(Cc4ccccc4)C[C@@H]3C2)c1 2173449777 LRQKWJYFVZFUHJ-VQTJNVASSA-N 492.299 6.001 50 10 JKGE CCc1cc([C@@H](Br)c2ccc(I)c(Cl)c2)c(F)cc1F 2175377710 ZZGSTCAVEJBRCW-HNNXBMFYSA-N 471.510 6.270 50 10 JKGE CO[C@]1(C(F)(F)F)C[C@H]([C@@H](Br)c2cc(Br)ccc2Br)C1 2182019735 LUIIHEXFVXJLSV-HFKOZYHYSA-N 480.944 6.005 50 10 JKGE BrCc1cc(Br)c(OCCCOCC2CCC2)c(Br)c1 2184704721 ZJORLTVELTVNOD-UHFFFAOYSA-N 471.027 5.692 50 10 JKGE O=C(c1cc(Br)c(Br)s1)N1C[C@H]2CCC[C@@](CBr)(C2)C1 2199680877 NLXPKKLVTJFRLF-XPTSAGLGSA-N 486.067 5.300 50 10 JKGE Cc1c(Br)sc([C@H](Cl)[C@@]23CCC[C@H]2CS(=O)(=O)C3)c1Br 2201879432 NMVIOBSJQMJJPV-LJUAHTATSA-N 462.656 5.076 50 10 JKGE COc1ccc([C@H](Br)c2cccc(F)c2I)c(Cl)c1Cl 2203431630 DOPSVZLLWUKYLO-NSHDSACASA-N 489.937 6.230 50 10 JKGE CCn1cc([C@@H](Br)c2cc(C)cc(Br)c2OC)nc1Br 2203837346 NHBSUBHOUJVZLQ-LBPRGKRZSA-N 466.999 5.229 50 10 JKGE C[C@@H](Cl)c1ccccc1NC(=O)c1ccc(Br)cc1I 2207266549 APYZKWWXCZYYOU-SECBINFHSA-N 464.528 5.606 50 10 JKGE Oc1nc2ccc([C@H](Cl)c3ccc(Br)cc3I)cc2o1 2207271280 HMOPEJKQPABZOM-ZDUSSCGKSA-N 464.484 5.229 50 10 JKGE Cc1sc([C@@H](Br)c2sc(Br)cc2Br)c(C)c1C 2215535006 GZCCRIOHYUHJDG-SNVBAGLBSA-N 459.066 6.744 50 10 JKGE Fc1cc(Br)c(Br)cc1[C@@H](Br)CC(F)(F)C(F)F 2218604306 USKIONBWBCVGKG-ZETCQYMHSA-N 460.860 6.077 50 10 JKGE COc1ccc([C@@H](Br)c2cc(I)sn2)cc1C(C)C 2224895665 RODJNIYDOWTHKC-CQSZACIVSA-N 452.155 5.364 50 10 JKGE Cc1ccc([C@H](Br)c2cc(Br)c(Br)cc2F)c(Cl)c1 2225616623 HKKQKCJRARDTFS-AWEZNQCLSA-N 471.389 6.797 50 10 JKGE Fc1cc(Br)c(Br)cc1[C@H](Br)C1CCCCCCC1 2225618019 UBGHMPGAQPKSAF-OAHLLOKOSA-N 457.019 7.147 50 10 JKGE C[C@H](Cl)c1nc2cc(Br)c(Br)cc2n1[C@@H]1CC[C@@H]1OCc1ccccc1 2225697647 SERAXMDFVQNFSE-WILYLXEWSA-N 498.646 6.781 50 10 JKGE Fc1cc(Br)c(Br)cc1[C@@H](Br)c1ccc(C2CC2)cc1 2233982120 QVZXKGRSZOOCET-INIZCTEOSA-N 462.982 6.712 50 10 JKGE ClCc1nc2cc(Br)c(Br)cc2n1Cc1conc1Br 2238725845 AWULHCOZVDZYRL-UHFFFAOYSA-N 484.373 5.099 50 10 JKGE O=C(c1scc(Br)c1Br)N1[C@H](CBr)C[C@@H]2CCCC[C@@H]21 2240737972 NHXSJLOLXXOWGQ-QXEWZRGKSA-N 486.067 5.441 50 10 JKGE Fc1cc(Cl)c([C@H](Br)c2scc(Br)c2Cl)cc1Cl 2253597807 GZZDGZQJBDLMKH-VIFPVBQESA-N 453.385 7.094 50 10 JKGE Fc1cc(Cl)c([C@H](Br)c2ccc(Br)cc2)cc1Br 2258114130 WLVAMXYSVJZSEN-CYBMUJFWSA-N 457.362 6.488 50 10 JKGE Cc1cc([C@@H](Br)c2c(F)cc(Br)c(F)c2Br)cs1 2260000879 GXNFGHPVLNCMCU-SNVBAGLBSA-N 460.963 6.344 50 10 JKGE COc1ccc([C@H](Br)c2ccc(Cl)cc2F)cc1I 2269551771 AQPJCZMJIBHRDE-AWEZNQCLSA-N 455.492 5.577 50 10 JKGE Brc1cc(Br)cc(C[C@@H](Br)CC2CCCCCC2)c1 2277962259 FBPUHDWPOGHKBY-AWEZNQCLSA-N 453.056 6.878 50 10 JKGE COc1c(Br)cc(Cl)c(C)c1[C@@H](Br)c1ccoc1Br 2277973746 BTOOFFXENNKVRG-NSHDSACASA-N 473.386 6.259 50 10 JKGE CCn1ncc(Br)c1[C@@H](Br)c1cc2sc(Br)cc2s1 2278113814 ZUTAEQPAJSMRMZ-NSHDSACASA-N 485.064 6.189 50 10 JKGE COc1ccc(C(=O)N(Cc2ccccc2)[C@H](CBr)C(C)C)c(Cl)c1OC 2283448667 IDBYZPICSPFNTF-QGZVFWFLSA-N 454.792 5.419 50 10 JKGE Fc1cc(Br)c(F)c(Br)c1[C@@H](Br)C1(F)CC2(CCC2)C1 2288361594 CNBZYDJVFCDMBT-GFCCVEGCSA-N 476.956 6.598 50 10 JKGE Fc1cc(Br)c(F)c(Br)c1[C@@H](Br)C1CC2(CCCO2)C1 2288481111 QPXNMGDIEVNKBT-XXCWSLKQSA-N 474.965 5.885 50 10 JKGE Cc1ccc(C[C@@H]2SC(=C(C#N)C(=O)Nc3ccccc3)N(c3ccc(F)cc3)C2=O)cc1 2293039020 UMPOPSUABSYACQ-QHCPKHFHSA-N 457.530 5.199 50 10 JKGE Fc1cc(Br)ccc1C[C@@H](Br)c1cc2sc(Br)cc2s1 2295508520 FVFNUTSKKMMJMV-SECBINFHSA-N 499.062 7.306 50 10 JKGE N#CC(=C(Nc1ccccc1F)SCc1c(F)cccc1Cl)S(=O)(=O)c1ccccc1 2297350117 XCZIRDOYABXXLW-UHFFFAOYSA-N 476.957 6.130 50 10 JKGE Brc1ccc(OCc2ccccc2)c([C@@H](Br)[C@@H]2C[C@@H]3CC[C@H]2C3)c1 2299493940 MMSHVMHCUOSROK-AWQBJMPUSA-N 450.214 6.900 50 10 JKGE Fc1cccc([C@H](Br)c2sc(Cl)cc2I)c1Cl 2300953634 MERBEYRYRONPAH-VIFPVBQESA-N 465.940 6.283 50 10 JKGE Cc1ccc(CBr)c(OC[C@H]2CC2(Br)Br)c1Br 2307438721 HDKNOFRTXCVXFS-SECBINFHSA-N 491.843 5.537 50 10 JKGE COc1cc(C=C(C#N)C(=O)Nc2cc(C)ccc2C)ccc1OCc1ccc(Cl)cc1Cl 2313560625 ADZJOZODXUCDLF-UHFFFAOYSA-N 481.379 6.744 50 10 JKGE Cc1ccc(NC(=O)C(C#N)=Cc2cc(Br)ccc2OCc2ccccc2F)cc1C 2313670752 UEOAWGHLEQDTJN-UHFFFAOYSA-N 479.349 6.330 50 10 JKGE Cc1nn(C)c([C@@H](Cl)c2ccc(OCc3ccccc3)cc2Br)c1Br 2314442595 CCIGRRJGFPBOHG-SFHVURJKSA-N 484.619 6.161 50 10 JKGE Clc1cccc(Cl)c1[C@H](Cl)c1cc(Br)ccc1OCc1ccccc1 2314454544 HCPNBNKFUDRNLV-HXUWFJFHSA-N 456.594 7.663 50 10 JKGE CCCC[C@@H](C)CC[C@H](Br)c1ccc(OCc2ccccc2)cc1Br 2314503859 WQVDPHBPMWHHND-UTKZUKDTSA-N 468.273 8.071 50 10 JKGE CCc1ccc(C[C@@H]2SC(=C(C#N)C(=O)Nc3ccccc3C)N(c3ccc(CC)cc3)C2=O)cc1 2314591896 HBOGRBUMLVOWQZ-MHZLTWQESA-N 495.648 6.185 50 10 JKGE CCOc1ccc(N2C(=O)[C@H](Cc3ccccc3)SC2=C(C#N)C(=O)Nc2ccccc2)cc1 2314592208 NWZPHIJJJMELBA-DEOSSOPVSA-N 469.566 5.150 50 10 JKGE CCOc1ccc(-c2nn(-c3ccccc3)cc2C=C2C(=O)N(CC(C)C)C(=O)C(C#N)=C2C)c(C)c1 2314611329 TYVDWWMDUNPMKD-UHFFFAOYSA-N 494.595 5.495 50 10 JKGE Fc1c(Cl)cccc1C[C@@H](Br)c1sc(Cl)cc1I 2316601451 SPBWCANAGIFYQD-SSDOTTSWSA-N 479.967 6.477 50 10 JKGE Cc1ccc([C@@H](C)[C@H](Br)c2sc(Cl)cc2I)cc1 2316768718 BVQOXDBGLCZVOX-RNCFNFMXSA-N 455.586 6.554 50 10 JKGE CC[C@H](NC(=O)C(C#N)=CNc1ccc(I)cc1)c1ccc2c(c1)CCCC2 2325092670 KQTKNSGTAOKLIL-QFIPXVFZSA-N 485.369 5.257 50 10 JKGE N#CC(=CNc1ccc(Cl)c([N+](=O)[O-])c1)C(=O)Nc1ccccc1Sc1ccccc1 2325336219 RQRCYDUJXSHGBU-UHFFFAOYSA-N 450.907 5.857 50 10 JKGE N#CC(=CNc1cc(C(F)(F)F)cc(C(F)(F)F)c1)C(=O)NC1CCCCCCCCCCC1 2325481731 ZOMDEUJQNHKPDG-UHFFFAOYSA-N 489.504 7.333 50 10 JKGE COCCOc1ccc(C=C(C#N)C(=O)Nc2sc(C)c(-c3ccc(C)cc3)c2C(=O)OC)cc1 2331123632 YUJJKWMMLDWCLL-UHFFFAOYSA-N 490.581 5.389 50 10 JKGE COc1ccc(-c2csc(C(C#N)=C(O)[C@@H](C(C)C)N3C(=O)c4ccccc4C3=O)n2)cc1F 2331336897 IHWFNLAMHIRSBP-OAQYLSRUSA-N 477.517 5.071 50 10 JKGE COc1cc(Cl)c(C)cc1-c1csc(C(C#N)=C(O)c2ccc(OCC(C)C)cc2)n1 2331390260 TZNNIEDEMGYDCT-UHFFFAOYSA-N 454.979 6.765 50 10 JKGE N#CC(=Cc1ccccc1OCc1ccc(Cl)cc1)c1nc(-c2ccc(F)c(F)c2)cs1 2331463927 FFWCLLFUXQWTFU-UHFFFAOYSA-N 464.924 7.385 50 10 JKGE Fc1cc(Cl)c(Br)c(Cl)c1[C@H](Br)c1ccccc1Br 2335287577 BLLCZEVSNLLWAM-LLVKDONJSA-N 491.807 7.142 50 10 JKGE Cc1cc(Br)c(F)c(Br)c1[C@@H](Br)[C@@H]1C(F)(F)C12CC2 2339682472 SPHDDCXBWKGCJV-KOLCDFICSA-N 462.929 6.140 50 10 JKGE ClCc1cc(Br)cnc1OCc1ccc(Cl)cc1I 2340099685 BEDATYIFHLAHOC-UHFFFAOYSA-N 472.935 5.420 50 10 JKGE CC1CCC(CBr)(OCc2c(Br)cccc2Br)CC1 2340565348 CNCXQQMOHXRXRX-UHFFFAOYSA-N 455.028 6.072 50 10 JKGE FC(F)(F)C12CC([C@@H](Cl)c3cc(Br)ccc3OCc3ccccc3)(CO1)C2 2363911572 WPLNJEXGNCMNDQ-VIQWUECVSA-N 461.705 6.420 50 10 JKGE CC1(C)CCC(C)(C)[C@H](Br)[C@H]1Cc1ccc(Cl)cc1I 2366729284 JZBBGCYLXUEWMX-UKRRQHHQSA-N 469.632 6.713 50 10 JKGE N#C/C(C(=O)NCc1ccccc1)=C1\S[C@@H](Cc2ccccc2)C(=O)N1c1ccc(Cl)cc1 935201 KJQCBCHYCFPONY-GPSDDGMOSA-N 473.985 5.083 50 10 JKGE Cc1ccc(C[C@@H]2S/C(=C(\C#N)C(=O)Nc3ccc(C)cc3)N(c3ccccc3)C2=O)cc1 2334681 GPMSFHKLFMHANB-BSSRNLCFSA-N 453.567 5.368 50 10 JKGE CC[C@H](C)Oc1ccc(C(=O)NNC(=O)c2ccc(NC(=O)c3ccc(C(C)(C)C)cc3)cc2)cc1 10292145 USTJXSNDAMGYLF-IBGZPJMESA-N 487.600 5.489 50 10 JKGE CCCCCCOc1ccc(C(=O)NNC(=O)c2ccccc2Br)cc1Br 14640802 BUJINQGJXKVNIO-UHFFFAOYSA-N 498.215 5.246 50 10 JKGE O=C(CSc1nc2ccccc2n1Cc1ccccc1Cl)N/N=C\c1cccc(Cl)c1 33089343 VZMXPJPAVNJEIN-ZMFRSBBQSA-N 469.397 5.634 50 10 JKGE C=CCNC(=O)/C(C#N)=C\c1cn(-c2ccccc2)nc1-c1ccc(OCc2ccc(C)cc2)cc1 33378985 KBIZHYOZVYUQDD-BWAHOGKJSA-N 474.564 5.636 50 10 JKGE CCOc1ccc(-c2nn(-c3ccccc3)cc2/C=C(/C#N)c2nc(O)c3ccccc3n2)cc1 34983730 NDDAKIBOAXKFBG-SILNSSARSA-N 459.509 5.651 50 10 JKGE C[C@H](Oc1ccccc1F)C(=O)Oc1ccc2c(c1)OC(N)=C(C#N)[C@H]2c1cccc2ccccc12 38657825 DIYYELKOHJSRIJ-SOKVYYICSA-N 480.495 5.570 50 10 JKGE COc1ccc(OCC(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@H]3c2c(Cl)cccc2Cl)cc1 38679674 OVOUWJALITYDCL-QHCPKHFHSA-N 497.334 5.205 50 10 JKGE Cc1cccc(COc2ccc(/C=N\NC(=O)CC[C@H](O)c3ccccc3)cc2Br)c1 58889046 GIHYLNCBEPYSMD-PXDDYHHSSA-N 481.390 5.300 50 10 JKGE O=C(N/N=C/c1cc(Br)c(Sc2ccc(Cl)cc2)o1)Nc1ccccc1Cl 59301803 NFXGTUZARFYYPY-LSHDLFTRSA-N 485.190 6.656 50 10 JKGE CCCCC1CCC(C(=O)N2CCCc3cc(C(=O)[C@H](Br)C(C)C)ccc32)CC1 71432751 JIOIXVMYFQCKHZ-MTNXOHHFSA-N 462.472 6.565 50 10 JKGE COc1cc(/C=C(/C#N)C(=O)Nc2ccc([N+](=O)[O-])cc2C)ccc1OCc1ccc(C)cc1 89633253 IXUTYIQKYLBAAW-BKUYFWCQSA-N 457.486 5.345 50 10 JKGE CC1(C)[C@H]2CC[C@@]1(C(=O)NNC(=O)c1cccc(Cl)c1)c1nc3cc(Cl)c(Cl)cc3nc12 101106578 USRPIOXHBISPAK-NPMABZOXSA-N 489.790 5.206 50 10 JKGE CC1=C(C#N)C(=O)N(Cc2cccnc2)C(=O)/C1=C/c1ccc(-c2ccc(Cl)cc2Cl)o1 101336567 WGJVGVWDOBXNIO-VXLYETTFSA-N 464.308 5.441 50 10 JKGE CCCCCCCCNC(=O)/C(C#N)=C\c1cn(-c2ccccc2)nc1-c1cc2ccccc2o1 102970587 RMXWWTALDSDMKJ-NKFKGCMQSA-N 466.585 6.669 50 10 JKGE C[C@H](NC(=O)/C(C#N)=C1/N=C(NC(=O)c2ccc(C(C)(C)C)cc2)c2ccccc21)c1ccccc1 102985022 RKXVPAYQXPNCKS-FIEZSYLZSA-N 476.580 5.286 50 10 JKGE C[C@@H](Cl)c1nc2cc(Cl)c(Cl)cc2n1-c1cccc(I)c1 125167576 VFVFEJAYWCLMPS-MRVPVSSYSA-N 451.522 6.237 50 10 JKGE CCCOc1ccc(/C=N\NC(=O)Cc2cc(Cl)ccc2SC)cc1Br 169922774 WBCZOQBWGFCVRJ-UUYOSTAYSA-N 455.805 5.306 50 10 JKGE CCOc1ccc(-c2nn(-c3ccccc3)cc2/C=C2\C(=O)N([C@H](C)CC)C(=O)C(C#N)=C2C)c(C)c1 214256697 BWSOMKISMLLOSZ-WWAUWJAYSA-N 494.595 5.637 50 10 JKGE CCOc1ccc(-c2nn(-c3ccccc3)cc2/C=C2\C(=O)N([C@H](C)CC)C(=O)C(C#N)=C2C)cc1C 214258388 YOIXBLPEGKUGML-WYRWUVFZSA-N 494.595 5.637 50 10 JKGE CCCCCCCCOc1ccc(/C=C2\C(=O)N(C[C@@H]3CCCO3)C(=O)C(C#N)=C2C)cc1OC 214330353 ONCCDLLRZAWUKL-NRPPHEFGSA-N 480.605 5.206 50 10 JKGE Clc1ccc(Br)cc1Oc1cc(Br)ccc1CBr 218311637 MWZYNBNFXSOSAB-UHFFFAOYSA-N 455.371 6.552 50 10 JKGE O=C(NC[C@@H]1CCCC[C@@H]1CBr)c1ccc(Br)cc1Br 232463289 JWZBYBKQDHHUKN-MNOVXSKESA-N 468.027 5.143 50 10 JKGE Cc1cc(Br)c([C@H](Br)c2ccc(Cl)cc2Br)s1 235822065 NFTYSSBVCGGDNC-LLVKDONJSA-N 459.428 6.719 50 10 JKGE Cc1ccc(C[C@H](Br)c2cc(I)ccc2Br)nc1 235920510 ILGOCIUCLBENHO-AWEZNQCLSA-N 480.969 5.436 50 10 JKGE Clc1cc(Br)cc([C@H](Br)c2cc(Br)cc3c2OCC3)c1 236057924 PSJALNORAFZPAV-AWEZNQCLSA-N 481.409 6.284 50 10 JKGE Cc1cc(C=NNC(=O)C(O)(c2ccccc2)c2ccccc2)c(C)n1-c1ccc2ccccc2c1 254566451 HTCWXVPKGSSAAB-UHFFFAOYSA-N 473.576 5.634 50 10 JKGE CCCCCCCCCCCCCCCCCC(=O)NN=Cc1ccc(OC)c(OC)c1OC 254567934 WIWVNUNVDXXUBO-UHFFFAOYSA-N 476.702 7.424 50 10 JKGE O=C(NN=Cc1ccc(OCc2ccccc2)cc1)c1[nH]c(-c2ccccc2)cc1-c1ccccc1 257351375 DSCFTLQOEYXMHF-UHFFFAOYSA-N 471.560 6.692 50 10 JKGE Cc1cc(Br)c([C@@H](Br)c2cccc(OCc3ccccc3)c2)s1 310015965 NXWSVXGMMIPKNZ-SFHVURJKSA-N 452.211 6.882 50 10 JKGE C[C@H]1C[C@@H](n2c(CCl)nc3cc(Br)c(F)cc32)CCN1Cc1ccccc1 379602108 CQIIFZSEHGBNKU-HOCLYGCPSA-N 450.783 5.902 50 10 JKGE BrCC(CBr)(CC[C@H]1CCOC1)c1cccc(Br)c1 400583782 YQYLEMVEDZZGTB-LBPRGKRZSA-N 455.028 5.293 50 10 JKGE CO[C@](C)(COCc1ccccc1)Cn1c(CCCl)nc2ccc(Br)cc21 705656580 IKVOQVSYAGSHTK-NRFANRHFSA-N 451.792 5.202 50 10 JKGE COc1ccc(CNC(=O)/C(C#N)=C/c2ccc(OCc3ccc(Br)cc3)cc2)cc1 1083973815 ODWXTHPJYJJIMO-KGENOOAVSA-N 477.358 5.260 50 10 JKGE CCOc1cc(/C=C(/C#N)C(=O)Nc2ccccc2CC)ccc1OCc1cccc(Cl)c1 1084635020 FLWNMJWHSGLAGA-HMAPJEAMSA-N 460.961 6.426 50 10 JKGE Cc1nn(Cc2ccc(Cl)c(Cl)c2)c2c1[C@H](c1cccc(Br)c1)C(C#N)=C(N)O2 1865683595 FTELODWCJSGENG-LJQANCHMSA-N 490.188 5.527 50 10 JKGE CCCOc1ccc([C@H]2C(C#N)=C(N)Oc3c2c(C(F)(F)F)nn3Cc2ccccc2F)cc1 1865694044 ONZWYKNEIPGYCM-IBGZPJMESA-N 472.442 5.096 50 10 JKGE CC(C)Oc1ccccc1[C@H]1C(C#N)=C(N)Oc2c1c(-c1ccccc1)nn2-c1ccc(Cl)cc1 1865705096 MEVSOVDKFACMOX-DEOSSOPVSA-N 482.971 6.198 50 10 JKGE COc1cccc([C@@H]2C(C#N)=C(N)Oc3c2c(-c2ccccc2)nn3Cc2ccccc2Cl)c1 1865712326 VRRAPZCSYFDTMA-HSZRJFAPSA-N 468.944 5.479 50 10 JKGE CCc1nn(-c2cccc3ccccc23)c2c1[C@H](c1ccc(Br)cc1)C(C#N)=C(N)O2 1865713974 ADICNKZBQVQAHI-JOCHJYFZSA-N 471.358 5.569 50 10 JKGE CC[C@](C)(NC(=O)Cc1ccc2nc(O)c(C(C)C)cc2c1)C(=O)Nc1ccc(SC#N)cc1 1867067699 LRYHNLVJOWPGET-SANMLTNESA-N 476.602 5.103 50 10 JKGE CCOC(=O)Oc1ccc(/C(O)=C(\C#N)c2nc(-c3ccc(Oc4ccccc4)cc3)cs2)cc1 1872753849 QCKVUVFFQSXVCQ-BZZOAKBMSA-N 484.533 7.088 50 10 JKGE COc1ccc(OCCC/C(O)=C(\C#N)c2nc(-c3cc(OC)c(Cl)cc3OC)cs2)cc1 1872756217 FVFPLGPIGJOSDJ-UZYVYHOESA-N 486.977 6.141 50 10 JKGE CCc1cccc(CC)c1N1C[C@H](/C(O)=C(\C#N)c2nc(-c3ccc(Cl)s3)cs2)CC1=O 1872758077 KFNLLWBOAVXGMG-VKQKCINQSA-N 484.046 6.496 50 10 JKGE CCCOc1ccc(/C=C(\C#N)c2nc(-c3ccc(-c4ccccc4)cc3)cs2)cc1OCC 1872782720 QVXOMTGEGJHKEV-KOEQRZSOSA-N 466.606 7.729 50 10 JKGE CCCCCOc1ccc(/C=C(\C#N)c2nc(-c3cccc(Cl)c3)cs2)cc1OCC 1872790247 UTVJDFLFVLJJNK-DEDYPNTBSA-N 453.007 7.495 50 10 JKGE CC(C)(C)OC1CC([C@H](Br)c2cc(Br)sc2Br)C1 1913994745 RCTZBLGCLFJRCX-AYVLWNQUSA-N 461.057 6.303 50 10 JKGE C[C@H](Br)CN(Cc1ccccc1)C(=O)c1cc(Br)ccc1Br 1914615033 YLCBEFZAORKLCC-LBPRGKRZSA-N 490.033 5.637 50 10 JKGE CC(C)(CCl)N(Cc1ccccc1)C(=O)c1csc(Br)c1Br 1915749369 JDPJIHVJFITLGB-UHFFFAOYSA-N 465.638 5.933 50 10 JKGE Cc1cc([C@@H](Br)c2cc(Cl)c(Br)cc2F)oc1Br 1917591719 KOIPIKHLUAFLBL-NSHDSACASA-N 461.350 6.390 50 10 JKGE FC(F)CC1([C@@H](Br)c2sc(Br)cc2Br)CCC1 1922907423 UFCQLMYJXCJOJV-JTQLQIEISA-N 452.984 6.535 50 10 JKGE COC[C@]1([C@@H](Br)c2sc(Br)c(C)c2Br)CCCO1 1922930341 RDYSKJMWJLCGBP-JQWIXIFHSA-N 463.029 5.213 50 10 JKGE CC[C@H](C(C)C)[C@@H](Br)c1c(Br)sc(Br)c1Cl 1923066558 QYYRGDBHVKGQSI-HTRCEHHLSA-N 453.465 7.045 50 10 JKGE Clc1sc(Br)c(Cl)c1[C@@H](Br)c1cc2cscc2s1 1925623614 UWUKHRSNDCKKFH-QMMMGPOBSA-N 463.068 7.578 50 10 JKGE O=C(N[C@@H](CBr)CC1CCCC1)c1cc(Br)sc1Br 1926746917 UIFKAIDDELVISH-SECBINFHSA-N 474.056 5.347 50 10 JKGE Cc1nc([C@@H](Cl)c2cc(Br)sc2Br)c(Br)s1 1980605360 NMMNGPTZNKKNFS-LURJTMIESA-N 466.445 6.129 50 10 JKGE FC(F)(F)c1csc([C@H](Br)[C@H]2C[C@@H](Br)C2)c1Br 2020178071 WTBWHKWUUCLDQR-JCGDXUMPSA-N 456.947 6.139 50 10 JKGE Cn1cc([C@@H](Br)c2cc(Br)c(Cl)cc2F)nc1Br 2036575068 GEINWGIDHKELOH-JTQLQIEISA-N 461.354 5.222 50 10 JKGE C[C@@H](c1cccs1)N(Cc1ccccc1)c1cc(Br)cc(F)c1CBr 2051132529 BWQXTXIMXLWDDA-AWEZNQCLSA-N 483.244 7.312 50 10 JKGE O=S(=O)(c1cc(CBr)ccc1Br)N(Cc1ccccc1)CC1CCC1 2059311754 AYGVKXOLYGZFKI-UHFFFAOYSA-N 487.257 5.335 50 10 JKGE C[C@@]1([C@H](Br)c2sc(Br)cc2Br)CCCC(F)(F)C1 2068381747 UPSVMHAUANVQCD-GHMZBOCLSA-N 467.011 6.925 50 10 JKGE C[C@@H]1CCc2nn(Cc3ccc(C(F)(F)F)c(Br)c3)c(CBr)c21 2080652108 GWGRSACZQCSQJF-SECBINFHSA-N 452.112 5.657 50 10 JKGE Cc1cc(Br)cc([C@H](Cl)c2ccc(Br)cc2Br)c1 2083321100 NYEJOEHZFKNNBL-AWEZNQCLSA-N 453.399 6.611 50 10 JKGE F[C@H]1CC[C@H](CC(CBr)(CBr)c2ccc(Br)cc2)C1 2093926529 GCQFFOANYZFSLC-FZMZJTMJSA-N 457.019 6.005 50 10 JKGE C[C@H](Cl)c1nc2cc(I)ccc2n1[C@@]12C[C@@H]1CN(Cc1ccccc1)C2 2099677763 CEXQOEGTKDACGL-CMPZQBNXSA-N 477.777 5.172 50 10 JKGE Cc1c(Br)ccc([C@H](Br)[C@H]2C[C@@]23CCCOC3)c1Br 2138848936 HUQBBLRUEAHRPQ-BYCMXARLSA-N 453.012 5.773 50 10 JKGE Cc1c(Br)ccc([C@@H](Br)c2c(F)cccc2Cl)c1Br 2138855777 YAGFBBDCNZMEQR-CQSZACIVSA-N 471.389 6.797 50 10 JKGE COC[C@]12C[C@]([C@@H](Br)c3c(Cl)sc(Br)c3Cl)(CO1)C2 2141168470 ZGAZHZFQVOEWRP-UWJYBYFXSA-N 451.007 5.449 50 10 JKGE Fc1cc([C@H](Br)c2cccc(Br)c2Br)c(F)c(F)c1F 2148754822 WLTUZJGTJSYGTE-SECBINFHSA-N 476.887 6.252 50 10 JKGE Cc1sc(Br)cc1[C@H](Br)c1cc(Br)cc2c1O[C@H](C)C2 2152047991 PCTOYPMJMLKWEI-UOWDBTKRSA-N 481.047 6.389 50 10 JKGE Brc1cccc(Br)c1CN1CCC2(CCC(Br)CC2)C1 2156000817 MKQNTILLBCKKNO-UHFFFAOYSA-N 466.055 5.741 50 10 JKGE Cn1cc([C@H](Br)c2ccc(Br)c3ccccc23)c(Br)n1 2173183095 OHZAXVOVRJMNME-CQSZACIVSA-N 458.979 5.583 50 10 JKGE Cc1cc(Br)c([C@@H](Br)C2(C(F)(F)F)CCCC2)cc1Br 2173214522 LBSCAMFTVYFFSN-GFCCVEGCSA-N 478.972 7.079 50 10 JKGE COc1cc([C@H](Br)c2cc(F)c(Br)cc2F)ccc1Br 2192149934 CTIXICFPBYHBPX-AWEZNQCLSA-N 470.933 5.983 50 10 JKGE Cc1cc(Br)c(C)c([C@H](Br)[C@@H]2CCCOC2(C)C)c1Br 2201071129 DKCKVYVKMNHUKG-XHDPSFHLSA-N 469.055 6.470 50 10 JKGE COC[C@@H]1CC[C@H]([C@@H](Br)c2c(C)c(Br)cc(C)c2Br)C1 2201076590 FXWBEYXNOFKUGW-BFQNTYOBSA-N 469.055 6.327 50 10 JKGE CO[C@]1(C(F)(F)F)C[C@H]([C@@H](Br)c2ccc(Br)cc2Br)C1 2203704559 LLKZBHGOJBWKPT-HFKOZYHYSA-N 480.944 6.005 50 10 JKGE COc1c(C)cc(Br)cc1[C@@H](Cl)c1cccc(C)c1I 2206586588 LDUVZOTUYGEFLK-AWEZNQCLSA-N 465.556 6.007 50 10 JKGE Clc1cc(Br)ccc1C[C@H](Br)c1cc(Cl)c(Br)s1 2221700193 PPPZJOCKCPJGKT-QMMMGPOBSA-N 493.873 7.259 50 10 JKGE COc1ccc(Cl)cc1[C@H](Br)c1ccc(C)c(I)c1 2224622126 NFWJRNSHLURGLQ-OAHLLOKOSA-N 451.529 5.746 50 10 JKGE Cc1c([C@H](Cl)c2cc(Br)c(Br)cc2F)nn(C)c1Br 2225617920 WNUFKAGYZLSUOQ-SNVBAGLBSA-N 475.381 5.483 50 10 JKGE Cc1cc(Br)c([C@@H](Br)[C@H]2C(C)(C)C2(F)F)c(C)c1Br 2227369984 OVZCPHCSGZBASD-NEPJUHHUSA-N 460.982 6.556 50 10 JKGE Cc1cc(Br)c([C@@H](Br)c2cccc(C)c2Br)c(C)c1Cl 2232527404 DAECANJIYNQKKM-HNNXBMFYSA-N 481.453 7.275 50 10 JKGE Brc1cccc(Br)c1CN1CC[C@@H]2[C@H](Br)CCC[C@H]2C1 2233851418 AIUHAQGXKLXQKN-SGMGOOAPSA-N 466.055 5.597 50 10 JKGE Cc1cc(Br)c([C@@H](Br)[C@H]2C(F)(F)C23CCC3)c(C)c1Br 2235614104 FDPOJIVEUJUESR-CHWSQXEVSA-N 472.993 6.700 50 10 JKGE O=C(Nc1ccc(Cl)cc1CBr)c1cc(I)ccc1F 2239463932 VDILGMCKHQGEIO-UHFFFAOYSA-N 468.491 5.231 50 10 JKGE BrC[C@@H]1C[C@H]2CCCC[C@H]2N1Cc1c(Br)cccc1Br 2240672609 GKCYXWIWYCYECM-BFQNTYOBSA-N 466.055 5.740 50 10 JKGE FC(F)[C@@H]1CCC[C@@H]1[C@@H](Br)c1cc(Br)c(Br)s1 2249240254 VBDDYFFQRIOURZ-CCGCGBOQSA-N 452.984 6.391 50 10 JKGE Fc1cc(Br)c(F)c(Br)c1[C@@H](Br)C1CC(Br)C1 2250784932 NPCNBWIMGBOTAS-UDSLYJHRSA-N 497.797 6.099 50 10 JKGE Fc1cc(Br)c(F)c(Br)c1[C@@H](Br)CC[C@@H]1CCCO1 2272848843 AFKFZICUAMLPJX-YUMQZZPRSA-N 462.954 5.885 50 10 JKGE Fc1cc(Br)c(F)c(Br)c1[C@H](Br)[C@@H]1[C@H]2CCCC[C@H]21 2272849860 NMLLHZZRARQZOB-PBAAAUGASA-N 458.966 6.362 50 10 JKGE CC1([C@H](Br)Cc2cc(Br)cc(Br)c2)CC2(CCC2)C1 2277956662 PUUAEPONYCIBLQ-CQSZACIVSA-N 451.040 6.488 50 10 JKGE C[C@]1(C(F)(F)F)C[C@H]1[C@@H](Br)Cc1cc(Br)cc(Br)c1 2277966140 QNFQCRUQPNPBHU-SRVKXCTJSA-N 464.945 6.106 50 10 JKGE Cc1c(CCl)cccc1NC(=O)c1cc(Br)ccc1I 2283547206 NQFCWQIXWPLLRX-UHFFFAOYSA-N 464.528 5.353 50 10 JKGE Cc1cc(Br)c(C)c([C@@H](Br)[C@H]2COC3(CCC3)C2)c1Br 2284852000 AXCDRKUURNEDPR-ABAIWWIYSA-N 467.039 6.224 50 10 JKGE Fc1cc(Br)c(F)c(Br)c1[C@H](Br)[C@H]1C[C@@H]1C1CCCC1 2288349967 VQWLMMWMLLIAPZ-VYUIOLGVSA-N 472.993 6.752 50 10 JKGE N#CC(=Cc1cn(CC(=O)Nc2ccccc2)c2ccccc12)C(=O)Nc1ccc(Br)cc1 2294175254 LVBPLKFTSNMNLN-UHFFFAOYSA-N 499.368 5.588 50 10 JKGE CCc1ccc(NC(=O)C(C#N)=C2S[C@H](Cc3ccccc3Cl)C(=O)N2c2ccccc2)cc1 2296033267 YJFXUTFKXBNLCY-XMMPIXPASA-N 488.012 5.967 50 10 JKGE Cc1cccc(NC(=O)C(C#N)=C2S[C@H](Cc3ccc(Cl)cc3)C(=O)N2c2ccccc2)c1 2296506757 CXCWGYVGQFOCMZ-HSZRJFAPSA-N 473.985 5.713 50 10 JKGE Cc1c(NC(=O)C(C#N)=Cc2ccc(-c3cccc(C(F)(F)F)c3)o2)c(=O)n(-c2ccccc2)n1C 2296727070 LWLWZQADCJPSBN-UHFFFAOYSA-N 492.457 5.309 50 10 JKGE C=CCOC(=O)c1sc(NC=C(C#N)c2nc(-c3ccc(C)cc3)cs2)c(C(=O)OCC)c1C 2296790139 RGSCSXLYQCROFH-UHFFFAOYSA-N 493.610 5.985 50 10 JKGE COC(=O)c1c(NC(=O)c2nc(SCc3ccccc3)ncc2Cl)sc(C(C)=CC#N)c1C 2296856702 CETXZNZTXRDHHS-UHFFFAOYSA-N 499.017 5.758 50 10 JKGE CCCN[C@H](c1ccc(OCc2ccccc2)cc1Br)[C@@H]1C[C@H]1Br 2299501986 SPAPRELQJCYPSA-MISYRCLQSA-N 453.218 5.852 50 10 JKGE C[C@@H]1C[C@@H]1[C@@H]1C[C@H]1[C@H](Br)c1ccc(OCc2ccccc2)cc1Br 2299503206 CYAQWKCMTGEPTJ-BBOJSFCZSA-N 450.214 6.756 50 10 JKGE COc1ccc(NC(=O)C(C#N)=Cc2ccccc2OCc2ccc(Cl)cc2Cl)cc1 2313541168 YODRURDIUOKIEI-UHFFFAOYSA-N 453.325 6.127 50 10 JKGE CCc1ccc(N2C(=O)[C@H](Cc3ccccc3F)SC2=C(C#N)C(=O)Nc2cccc(C)c2)cc1 2314591631 ACINSERXQYULNB-VWLOTQADSA-N 485.584 5.762 50 10 JKGE Cc1ccc(N2C(=O)[C@H](Cc3ccc(C(C)C)cc3)SC2=C(C#N)C(=O)Nc2ccccc2)cc1C 2314591910 HNBOANADCLOAEZ-MHZLTWQESA-N 495.648 6.492 50 10 JKGE Cc1cccc(NC(=O)C(C#N)=C2S[C@@H](Cc3ccccc3C)C(=O)N2c2ccc(C(C)C)cc2)c1 2314592135 MKLDUJFKZAJQSK-MHZLTWQESA-N 495.648 6.492 50 10 JKGE CSc1ccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)C=Cc4ccc(C)cc4)ccc32)cc1 2314634366 IIMDKNYQGDQVFO-SANMLTNESA-N 454.551 5.554 50 10 JKGE COc1cc(C=C(C#N)c2ccccc2)ccc1OC(=O)C=Cc1ccc(Cl)cc1Cl 2314720222 HFPNUJJQGOKSAX-UHFFFAOYSA-N 450.321 6.685 50 10 JKGE Cc1c(Br)ccc([C@H](Cl)c2c(Br)ncn2C)c1Br 2315594393 UJXFBUOLFYNPJG-JTQLQIEISA-N 457.391 5.344 50 10 JKGE Cc1sc2nc(SCC(=O)NN=CC=Cc3ccccc3)nc(O)c2c1-c1ccccc1 2320486429 MWESSADSTNFTTF-UHFFFAOYSA-N 460.584 5.280 50 10 JKGE CCCc1sc(Br)cc1[C@@H](Br)c1csc(C)c1Br 2320492411 XGOBAIMCTCFOIK-CYBMUJFWSA-N 473.093 7.080 50 10 JKGE C[C@H](C(O)=C(C#N)c1nc(-c2cccc(Br)c2)cs1)N1C(=O)c2ccccc2C1=O 2331279273 DSJROFWJYKFHKM-GFCCVEGCSA-N 480.343 5.050 50 10 JKGE COc1ccc(OC)c(-c2csc(C(C#N)=C(O)CCCOc3ccc4ccccc4c3)n2)c1 2331325909 ASLZMNUQAINIRO-UHFFFAOYSA-N 472.566 6.632 50 10 JKGE COc1ccc(C=C(C(O)=C(C#N)c2nc(-c3ccc(C(C)C)cc3)cs2)c2ccccc2)cc1 2331340836 UIRHAKOIJZPNID-UHFFFAOYSA-N 478.617 7.976 50 10 JKGE COc1c(Cl)cc(Cl)cc1-c1csc(C(C#N)=C(O)CCCOc2c(C)cccc2C)n1 2331362831 UDDFSNODWRYSDU-UHFFFAOYSA-N 489.424 7.394 50 10 JKGE N#CC(=C(O)c1ccc(N2CCCC2)c([N+](=O)[O-])c1)c1nc(-c2ccc(Cl)s2)cs1 2331402398 XHEIMXVECSBFPW-UHFFFAOYSA-N 458.952 5.983 50 10 JKGE COc1cc(C)c(-c2csc(C(C#N)=C(O)CCCCCNC(=O)c3ccccc3)n2)cc1C 2331403018 RPLVNVHKJGUDBV-UHFFFAOYSA-N 475.614 6.219 50 10 JKGE COc1cc(OC)c(-c2csc(C(C#N)=Cc3cc(OC)c(OC)cc3OC)n2)cc1Cl 2331472366 MCKJVEHGPFVQAV-UHFFFAOYSA-N 472.950 5.571 50 10 JKGE Brc1cc([C@@H](Br)[C@@H]2C[C@H]2C2CCCCCC2)sc1Br 2332688089 NBTHTDSGLUNMKG-WDMOLILDSA-N 471.096 7.316 50 10 JKGE Fc1c(Br)cc(Cl)c([C@H](Br)[C@@]23CCCC[C@@H]2C3)c1Br 2337082795 QFPKNEXCBMHXLC-IYCUSSIYSA-N 475.421 7.020 50 10 JKGE CCCO[C@@H]1[C@H](Br)C[C@H]1OCc1cc(Br)cc(Br)c1 2337095840 APIDAJSOASHRBC-MGPQQGTHSA-N 457.000 5.059 50 10 JKGE ClCc1cnc(OCc2cc(Br)cc(Br)c2)c(Br)c1 2337112020 BQAGRPSNNOMSLK-UHFFFAOYSA-N 470.386 5.687 50 10 JKGE COc1c(Br)cc(C)c([C@H](Br)[C@@H]2CC[C@@H](F)C2)c1Br 2339656308 MNQGMNVXGFBWIP-KBVBSXBZSA-N 458.991 6.103 50 10 JKGE COC[C@@H]1CC[C@@H](Cc2ccc(Cl)cc2I)C[C@H]1Br 2341047100 QOKDBXSVKLCXJW-VHRBIJSZSA-N 457.577 5.313 50 10 JKGE Clc1ccc(CN2CC[C@H]3CC[C@H](Br)[C@H]2C3)c(I)c1 2341053714 YZNLFTGVOYKZSH-RIEGTJTDSA-N 454.577 5.083 50 10 JKGE CC1(C)CC[C@@H](CCl)N(Cc2ccc(I)c(Br)c2)C1 2349825286 CFOOQBHAGHFNRD-LBPRGKRZSA-N 456.593 5.283 50 10 JKGE Clc1ccc(I)cc1COc1ccc(CBr)cc1Cl 2352425016 AUMUTSJPZLCXEI-UHFFFAOYSA-N 471.947 6.072 50 10 JKGE Clc1ccc(I)cc1CN1C[C@H](Br)CCC12CCC2 2352427290 GFMGLUNAAIUXIM-GFCCVEGCSA-N 454.577 5.227 50 10 JKGE FC(F)Oc1ccccc1[C@@H](Br)c1cc(Br)ccc1OCc1ccccc1 2361212764 XYBYSOOBNBIYDR-HXUWFJFHSA-N 498.161 7.114 50 10 JKGE CC1(C)OCCO[C@@H]1[C@@H](Br)c1c(Cl)cc(Br)c(F)c1Br 2362233335 ZGXPCPZAJCZZHH-CMPLNLGQSA-N 495.408 5.634 50 10 JKGE C[C@H](CCBr)CCN1CC[C@H](CCNC(=O)OC(C)(C)C)C[C@H]1C(F)(F)F 2362814048 ONFYCFFKYPWFKS-PMPSAXMXSA-N 459.391 5.355 50 10 JKGE CC(C)c1cc(CCl)cc(Oc2cc(Br)cc(I)c2)c1 2364259867 DPPOQSXGBXEBRS-UHFFFAOYSA-N 465.556 6.708 50 10 JKGE Cc1cccc([C@@H](Cl)c2c(C)cc(Br)c(F)c2Br)c1Br 2365188193 IYZUXRKHMHMLAF-CQSZACIVSA-N 485.416 7.058 50 10 JKGE CCC12COC([C@@H](Br)c3c(C)cc(Br)c(F)c3Br)(C1)C2 2365194182 OUDISZNNUUPQPE-NFOMZHRRSA-N 471.002 6.054 50 10 JKGE Clc1cc(Cl)cc(CC[C@@H](Br)c2c(Cl)sc(Br)c2Cl)c1 2366797404 QSSPOSBMXPIMBQ-SECBINFHSA-N 497.894 8.193 50 10 JKGE CCN(C[C@@](C)(CBr)OCCCc1cc(Cl)cc(Cl)c1)C(=O)OC(C)(C)C 2366938318 XHEHXFSCBMLCAB-HXUWFJFHSA-N 483.274 6.353 50 10 JKGE CCOc1ccc([C@@H](Cl)c2ccc(I)c(Br)c2)c(F)c1 2367466684 DJPCRPDCNRBYCF-HNNXBMFYSA-N 469.519 5.920 50 10 JKGE O=C(N[C@@H](CCCl)COCc1ccccc1)c1ccc(Br)c(C(F)(F)F)c1 2369677326 KXCVDWVOEMBJAA-HNNXBMFYSA-N 464.709 5.412 50 10 JKGE FC(F)(F)c1ccc(-n2c(Cl)nc(Cl)c2CBr)cc1Br 2370099586 YDLZPUJFRREXPJ-UHFFFAOYSA-N 452.883 5.855 50 10 JKGE Cc1cc(Br)c([C@@H](Cl)c2cc(F)c(Cl)cc2Cl)cc1Br 2379733188 CIQAIYQATWZAFS-CQSZACIVSA-N 461.383 7.294 50 10 JKGE Cc1ccc(NC(=O)/C(C#N)=C/c2cc(Br)cc(Br)c2O)c(C)c1 1083220 MSGPRSWVHYGSLB-AWNIVKPZSA-N 450.130 5.080 50 10 JKGE Cc1sc2[nH]c(SCC(=O)N/N=C/c3ccc(C(C)(C)C)cc3)nc(=O)c2c1-c1ccccc1 19646012 NDPJYQXIPAWVSI-MZJWZYIUSA-N 490.654 5.500 50 10 JKGE CC(C)(C)c1cc(/C=N\NC(=O)C2=NNC(c3ccccc3)(c3ccccc3)C2)cc(C(C)(C)C)c1O 33153022 XLQMXKTYYILIBY-RGXNXFOYSA-N 496.655 5.730 50 10 JKGE COc1ccc(/C=C(/C#N)C(=O)Nc2cccc(C(=O)O)c2)cc1OC(=O)c1cccc2ccccc12 33794007 HYWYYFFJOZDMAQ-STZFKDTASA-N 492.487 5.311 50 10 JKGE N#C/C(=C\c1ccccc1OCC(=O)Nc1ccccc1)C(=O)Nc1ccc(Cl)c(C(F)(F)F)c1 35519827 KUGRBEFCOFWZDI-SFQUDFHCSA-N 499.876 5.922 50 10 JKGE CCCCCCOc1ccc(/C=C2/C(=O)N(CCCCCC)C(=O)C(C#N)=C2C)cc1OC 38604173 OXJQJRUDNANWTH-OQKWZONESA-N 452.595 5.827 50 10 JKGE COc1ccccc1C(=O)Oc1ccc2c(c1)OC(N)=C(C#N)[C@@H]2c1ccc(Cl)c(Cl)c1 38655678 HJVHFXHBVYDVQL-JOCHJYFZSA-N 467.308 5.439 50 10 JKGE N#CC1=C(N)Oc2cc(OC(=O)c3ccc(F)cc3)ccc2[C@@H]1c1ccc(Cl)c(Cl)c1 38655707 ZPQFGFILHYHBPS-NRFANRHFSA-N 455.272 5.570 50 10 JKGE COc1ccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4oc5ccccc5c4C)ccc32)cc1 38687377 CDJFLAYMNGAPBE-XMMPIXPASA-N 452.466 5.187 50 10 JKGE CCOc1ccccc1[C@@H]1C(C#N)=C(N)Oc2cc(OC(=O)c3oc4ccc(C)cc4c3C)ccc21 38687481 PHMIMPRHCQEBPJ-SANMLTNESA-N 480.520 5.886 50 10 JKGE Cc1c(C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@H]3c2cccs2)oc2ccc(Cl)cc12 38688412 CBZQNWCBKSRONQ-NRFANRHFSA-N 462.914 5.894 50 10 JKGE CCCCCOc1ccc(C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@@H]3c2cccc([N+](=O)[O-])c2)cc1 40527370 KRAPMQBFXCDYFG-AREMUKBSSA-N 499.523 5.601 50 10 JKGE CCN(c1ncnc(NNC(=O)c2ccc(Cl)cc2)c1[N+](=O)[O-])c1cccc2ccccc12 40589262 BJLPYYXHWNYUMC-UHFFFAOYSA-N 462.897 5.106 50 10 JKGE Cc1ccc(C)c(NC(=O)c2oc3c(c2C)/C(=N/NC(=O)c2ccc(Cl)c([N+](=O)[O-])c2)CCC3)c1 40813437 PEEOFFCBFFEABE-MTDXEUNCSA-N 494.935 5.489 50 10 JKGE C=CCc1cc(/C=N\NC(=O)CC[C@@H](O)c2ccc(OCC)cc2)ccc1OCc1ccc(F)cc1 58895094 YNBHJZSTPOTKCG-VGBOAXCZSA-N 490.575 5.496 50 10 JKGE Fc1cc(Br)c(Cl)cc1[C@H](Br)c1cc(Br)ccc1Cl 97895806 NLHSLDKFVCCLSW-CYBMUJFWSA-N 491.807 7.142 50 10 JKGE CC1CCC(NC(=O)[C@@H](c2ccc(F)cc2)N(Cc2ccccc2Cl)C(=O)CCl)CC1 97914711 OBZFLTBWOFJIST-XXLUKPGQSA-N 465.396 5.483 50 10 JKGE CCCCCCCOc1ccc(/C=C2/C(=O)N(Cc3ccco3)C(=O)C(C#N)=C2C)cc1OCC 101336818 MUTFSSHSTVSZNR-XQNSMLJCSA-N 476.573 5.820 50 10 JKGE CCCCC1CCC([C@@H](Br)c2cc(Br)sc2Br)CC1 109870109 CAUKMAWDMUQOMD-QIMFLAQGSA-N 473.112 7.706 50 10 JKGE Fc1ccc(C[C@@H](CBr)c2ccc(Br)cc2)c(Br)c1 118657835 ROOJWWWYOLBNPR-LBPRGKRZSA-N 450.971 6.072 50 10 JKGE CCOc1cc(Cl)c([C@@H](Br)c2ccc(C)c(Br)c2)cc1Cl 164581898 ZKHLTMJMPACGST-INIZCTEOSA-N 453.001 6.947 50 10 JKGE CC1(C)C[C@H](N=C=O)C[C@@](C)(CNC(=O)N2CCC(c3cc4cc(Cl)ccc4[nH]3)CC2)C1 170290659 POYAGCHNGFNGJU-NBGIEHNGSA-N 457.018 5.631 50 10 JKGE CCOc1ccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)/C=C\c4ccc(C(C)(C)C)cc4)ccc32)cc1 205661059 UFZOYOIRUZOYCB-QOODBRNBSA-N 494.591 6.220 50 10 JKGE CCN1C(=O)C(C#N)=C(C)/C(=C/c2cn(-c3ccccc3)nc2-c2ccc(OCCC(C)C)cc2)C1=O 214208604 ZVCOFTKNTOTNAP-ONUIUJJFSA-N 494.595 5.576 50 10 JKGE Fc1ccc(Br)c(F)c1CC(CBr)(CBr)C1CCCC1 230376738 YBDBIIZAJVEUBE-UHFFFAOYSA-N 475.009 6.236 50 10 JKGE Brc1cc([C@@H](Br)Cc2ccc3ccccc3c2)c(Br)s1 232477366 NWXNPDMFVUGJAQ-AWEZNQCLSA-N 475.043 7.105 50 10 JKGE COc1cc(F)c(Br)cc1[C@@H](Br)c1cccc(C)c1Br 234866841 DULXDAYYOZGGER-HNNXBMFYSA-N 466.970 6.152 50 10 JKGE COc1cc(F)c([C@H](Br)c2cc(Br)sc2Br)c(F)c1 235001498 GFQHFBYBDJNAQN-LLVKDONJSA-N 476.962 6.044 50 10 JKGE CCOc1ccc(C(CC)=NNC(=O)c2cc(-c3ccc(CC)cc3)nc3c(Cl)cccc23)cc1 254396574 RLUWALNZISSCCI-UHFFFAOYSA-N 486.015 7.060 50 10 JKGE COc1ccc(-c2cc(C(=O)NN=Cc3c4ccccc4cc4ccccc34)[nH]n2)cc1OC 254865193 ZAIGSUIUAVPUQO-UHFFFAOYSA-N 450.498 5.164 50 10 JKGE ClCc1cc(Br)cc(Br)c1OCc1ccc(Br)cc1 311653373 URVYDXYQRWVBEK-UHFFFAOYSA-N 469.398 6.292 50 10 JKGE 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 504248809 GDOXPOQXTZCSGF-ZIXRYLLPSA-N 491.200 9.247 50 10 JKGE C[C@@H](Cl)c1nc2ccc(F)c(Br)c2n1[C@H]1CCCN(Cc2ccccc2)C1 689776576 XDUGPVSWHWRSLZ-ZBFHGGJFSA-N 450.783 6.075 50 10 JKGE BrCc1cc(Br)c(OC[C@@H]2C[C@@H]3CCC[C@H]3O2)c(Br)c1 720793337 IOEJAPGUYFJEJJ-COPLHBTASA-N 469.011 5.443 50 10 JKGE Cc1cc(C)c([C@H](Br)c2ccc(I)c(Br)c2)s1 721586535 JCXAQXPYFCHYDL-GFCCVEGCSA-N 486.010 6.216 50 10 JKGE CCOc1cc(/C=C(/C#N)C(=O)Nc2cccc([N+](=O)[O-])c2)ccc1OCc1cccc(F)c1 1084150659 VWBXEHZBBVLXLW-ODLFYWEKSA-N 461.449 5.257 50 10 JKGE O=C(NN=Cc1cccn1-c1ccc(Br)cc1)Nc1cccc(Br)c1 1084164883 WRTMTKAANQMUPB-UHFFFAOYSA-N 462.145 5.158 50 10 JKGE CCOc1cc(C=NNC(=O)CCSc2ccc(Cl)cc2)ccc1OCc1ccccc1 1084272580 ACUGDIZZPXETHA-UHFFFAOYSA-N 469.006 5.950 50 10 JKGE N#C/C(=C/c1cc(Br)ccc1OCc1cccc(F)c1)C(=O)Nc1ccccc1Cl 1084392004 CVLFCZYXYNREHN-BOPFTXTBSA-N 485.740 6.366 50 10 JKGE O=C(NN=Cc1cccc2ccccc12)c1ccc(CN2CCC(Cc3ccccc3)CC2)cc1 1084534727 FBLFBVMSJPVBOG-UHFFFAOYSA-N 461.609 6.058 50 10 JKGE CC(C)(C)CC(C)(C)N(NC(=O)Nc1cc(F)ccc1F)C(=O)c1cc(Cl)cc(Cl)c1 1088715251 DTSVDBNEXJLSBG-UHFFFAOYSA-N 472.363 6.665 50 10 JKGE COc1ccc(/C(C#N)=C/c2ccc(OC(=O)c3ccc(Cl)c(Cl)c3)cc2)cc1OC 1615099335 GARBSADOHLTGGY-WOJGMQOQSA-N 454.309 6.294 50 10 JKGE COc1cccc(C(=O)NN=C2CCCc3oc(C(=O)Nc4cc(Cl)cc(Cl)c4)c(C)c32)c1 1772750112 UKLVAISKSWZPRF-UHFFFAOYSA-N 486.355 5.626 50 10 JKGE C[C@H](Oc1ccc(C(C)(C)C)cc1)C(=O)NN=Cc1ccc(OCc2ccccc2Cl)cc1 1772756455 ZCGKPMFGZAXBOK-IBGZPJMESA-N 464.993 6.134 50 10 JKGE N#CC1=C(N)Oc2c(c(-c3ccccc3)nn2Cc2ccc(Cl)c(Cl)c2)[C@@H]1c1ccccc1 1865680354 IDBRRRLTNGZQBX-JOCHJYFZSA-N 473.363 6.123 50 10 JKGE N#CC1=C(N)Oc2c(c(-c3ccccc3)nn2Cc2ccc(Cl)cc2)[C@H]1c1c(F)cccc1Cl 1865682713 WGLGCALWIZIZDY-OAQYLSRUSA-N 491.353 6.262 50 10 JKGE CCc1nn(Cc2ccccc2F)c2c1[C@H](c1ccc(OCc3ccc(C)cc3)cc1)C(C#N)=C(N)O2 1865692198 CFNPFXZSOSVVFP-HHHXNRCGSA-N 494.570 5.739 50 10 JKGE CCCCCOc1ccc([C@@H]2C(C#N)=C(N)Oc3c2c(CC)nn3Cc2ccc(Cl)cc2)cc1 1865693437 OMHQWFILFMVCQQ-XMMPIXPASA-N 477.008 5.934 50 10 JKGE COc1cc([C@H]2C(C#N)=C(N)Oc3c2c(C)nn3-c2ccc(C)cc2)ccc1OCc1ccc(C)cc1 1865695193 MGPCGPXEXWHHON-NDEPHWFRSA-N 492.579 5.603 50 10 JKGE CCc1nn(Cc2cccc(Cl)c2)c2c1[C@@H](c1ccc(OC(C)C)c(OC)c1)C(C#N)=C(N)O2 1865696577 IAFULNMUNGHXCN-QHCPKHFHSA-N 478.980 5.161 50 10 JKGE CC(C)CSc1ccc(C(=O)NNC(=O)/C=C/c2cccc(OCc3ccccc3)c2)cc1 1865757969 CSYZXGMGZILFOG-LFIBNONCSA-N 460.599 5.488 50 10 JKGE CCc1ccc(OCCC/C(O)=C(\C#N)c2nc(-c3cc(C(C)C)c(OC)cc3C)cs2)cc1 1872753505 ABPRAANIUQRGJB-LCUIJRPUSA-N 476.642 7.465 50 10 JKGE CC[C@H](C)[C@H](/C(O)=C(\C#N)c1nc(-c2c(C)c(C)cc(C)c2C)cs1)N1C(=O)c2ccccc2C1=O 1872754552 YHMFVXVYKXNGQB-VBOQBORTSA-N 499.636 6.547 50 10 JKGE COc1cc(Cl)c(C)cc1-c1csc(/C(C#N)=C(\O)CCCOc2ccccc2Cl)n1 1872757077 PRXITNVVRWEPAE-SILNSSARSA-N 475.397 7.086 50 10 JKGE CCCCCOc1ccc(/C=C(\C#N)c2nc(-c3ccc(OC)c4ccccc34)cs2)cc1 1872795219 UFGFFIPLMIVPBJ-HEHNFIMWSA-N 454.595 7.605 50 10 JKGE CCCOc1ccc(-c2csc(/C(C#N)=C(\O)COc3ccccc3CC)n2)cc1OCCC 1872818375 ZEYBEIKMEDUHKY-LNVKXUELSA-N 478.614 6.822 50 10 JKGE COc1ccc(/C=N/NC(=O)c2ccc3[nH]c4c(c3c2)CCCC4)cc1OCc1ccc(Cl)cc1 1873498569 VOQKFGRDTJLIEB-OKCVXOCRSA-N 487.987 6.052 50 10 JKGE Cc1nn(C)c([C@@H](Br)c2cc(Br)c(Cl)cc2F)c1Br 1877181466 UFJDCEKBFANDOZ-NSHDSACASA-N 475.381 5.530 50 10 JKGE O=C(c1c(Br)sc(Br)c1Br)[C@@H]1C[C@@H]1Br 1893046500 LRNBKOGXKUJXSY-GBXIJSLDSA-N 467.802 5.002 50 10 JKGE C[C@@]12CC[C@@](CBr)(C1)N(Cc1cccc(Br)c1Br)C2 1911485162 OAVVKPXCKURZLP-CABCVRRESA-N 452.028 5.351 50 10 JKGE C[C@H](Cl)c1nc2c(Br)cc(F)cc2n1[C@H]1CCN(Cc2ccccc2)[C@H]1C 1912665340 VZCBRDPUVFNLAD-DEYYWGMASA-N 450.783 6.073 50 10 JKGE COc1cc([C@@H](Br)c2c(C)nsc2Br)c(OC)cc1Br 1912982783 QRAWITZTXGQEIH-GFCCVEGCSA-N 486.023 5.478 50 10 JKGE CC(C)[C@@H](CBr)N(Cc1ccccc1)C(=O)Cc1cccc(Br)c1 1915293889 RHVBUTWSRSBHJV-LJQANCHMSA-N 453.218 5.440 50 10 JKGE O=C(NC[C@H]1CC[C@H](CBr)CC1)c1cc(Br)sc1Br 1922690616 RRKGDIISMGZEHI-KYZUINATSA-N 474.056 5.204 50 10 JKGE Cc1c(Br)sc([C@@H](Br)c2ccc(Cl)cc2Cl)c1Br 1922897409 NIFOGGVGGCGPLQ-JTQLQIEISA-N 493.873 7.373 50 10 JKGE FC(F)(F)COCC[C@H](Br)c1c(Br)sc(Br)c1Cl 1923054409 FFFYJSFKXYEVKD-BYPYZUCNSA-N 495.380 6.332 50 10 JKGE Clc1c(Br)sc(Br)c1[C@@H](Br)C1C2(CC2)C12CC2 1923061327 KCVSTNQSOHWANO-ZCFIWIBFSA-N 461.444 6.553 50 10 JKGE FC1(F)CC12CC([C@H](Br)c1c(Br)sc(Br)c1Cl)C2 1923073774 ANUYLIQNFXTKCZ-SIPCTPOTSA-N 485.413 6.798 50 10 JKGE Brc1sc(Br)c([C@@H](Br)CC2CC2)c1Br 1924576774 SBMZQDRTAQLFPY-YFKPBYRVSA-N 467.846 6.272 50 10 JKGE Cl[C@@H](c1c(Br)sc(Br)c1Br)C1CCC2(CC1)CC2 1924607881 AGYMGJSXEDJDAX-SNVBAGLBSA-N 477.487 7.286 50 10 JKGE COc1cscc1[C@H](Cl)c1c(Br)sc(Br)c1Br 1950316144 PCEBSUMDQCTRFL-QMMMGPOBSA-N 481.456 6.434 50 10 JKGE Brc1ccc([C@H](Br)c2ccoc2Br)c(Br)c1 1994135607 PSDPICXORYINIQ-JTQLQIEISA-N 473.784 6.051 50 10 JKGE Cc1nc(C[C@H](Br)c2cc(Br)sc2Br)sc1C 2025971790 IMVGQRWVNDOYLL-QMMMGPOBSA-N 460.054 6.025 50 10 JKGE COc1cc(F)c(Br)cc1[C@H](Br)c1sncc1Br 2028524323 KRKSWNQZAIJNPT-JTQLQIEISA-N 459.960 5.300 50 10 JKGE CN(Cc1ccc(Br)s1)c1cccc(Br)c1CBr 2039293923 ZOJOABBTQTZBKD-UHFFFAOYSA-N 454.025 5.804 50 10 JKGE Cc1cc(Br)c([C@@H](Cl)c2cc(Br)c(Cl)s2)cc1Br 2052451938 SIUNHTIDPVRGFE-LLVKDONJSA-N 493.873 7.326 50 10 JKGE Fc1ccc(Cn2nc(CBr)c(Br)c2C(F)(F)F)cc1C(F)(F)F 2079232093 NBADMPKVJBELDQ-UHFFFAOYSA-N 484.007 5.766 50 10 JKGE Brc1ccc([C@H](Br)c2cc3c(s2)CCC3)c(Br)c1 2083336722 CTNZOMLSGHQNOV-AWEZNQCLSA-N 451.021 6.246 50 10 JKGE CCc1sc(Br)cc1[C@H](Br)c1cc(Br)ccc1OC 2090681668 OYJJVLMJGSXPRC-CQSZACIVSA-N 469.036 6.328 50 10 JKGE Cc1c(Br)ccc([C@H](Br)C2CCC3(CC2)CC3)c1Br 2138865316 MOWKUGZUKIHEHR-OAHLLOKOSA-N 451.040 6.926 50 10 JKGE Cc1cc(F)c(F)cc1[C@@H](Br)c1ccc(I)c(Cl)c1 2139642512 IUKZLWNGLGGFAF-AWEZNQCLSA-N 457.483 6.016 50 10 JKGE COC[C@]12C[C@]([C@@H](Cl)c3c(Br)sc(Br)c3Cl)(CO1)C2 2141162125 CAGBRYWAPVZHGE-UWJYBYFXSA-N 451.007 5.402 50 10 JKGE CCN(CCCOCc1ccccc1)S(=O)(=O)c1cc(CCl)cc(Br)c1C 2153179518 FUHANFTXVJOWPW-UHFFFAOYSA-N 474.848 5.114 50 10 JKGE COc1ccc(C[C@H](Cl)c2ccc(I)c(Br)c2)cc1F 2168408967 XEERIUBYCKMNJZ-LBPRGKRZSA-N 469.519 5.724 50 10 JKGE BrCc1cc(Br)c(OC[C@@H]2CCCC3(CC3)C2)c(Br)c1 2168926911 AUDXHGWUJUNNQK-LLVKDONJSA-N 467.039 6.456 50 10 JKGE CCc1cc([C@@H](Br)c2c(Br)cccc2Br)c(F)cc1F 2175394197 KHXJQQGIHZGYTA-OAHLLOKOSA-N 468.961 6.537 50 10 JKGE CN([C@@H]1CC[C@H]1OCc1ccccc1)S(=O)(=O)c1ccc(Cl)c(CBr)c1Cl 2179834273 ZFUVOICADJAEHD-IAGOWNOFSA-N 493.250 5.257 50 10 JKGE CC(C)C(CCOc1c(Br)cc(Br)cc1CBr)C(C)C 2189258153 JMWCHMRAXIDJOY-UHFFFAOYSA-N 471.071 6.804 50 10 JKGE C[C@]12CO[C@](CC(CBr)(CBr)c3ccccc3Br)(C1)C2 2194248573 WDRPANSLWSDTFA-FZNQNYSPSA-N 467.039 5.436 50 10 JKGE COc1cc2c(cc1Br)nc(CCCl)n2C[C@@H](C)N(C)Cc1ccccc1 2202309235 ODMMLMDBUNDOBP-OAHLLOKOSA-N 450.808 5.109 50 10 JKGE CC(C)(C)OC(=O)N1CCC[C@@](CI)(OCc2cccc3ccccc23)C1 2205290296 ADZPFVRGGVNKAX-QFIPXVFZSA-N 481.374 5.561 50 10 JKGE FC1(F)CCC[C@H](O[C@@H](CI)c2ccccc2Br)CC1 2207040119 RUSIYJMISJKYAX-FZMZJTMJSA-N 459.112 5.910 50 10 JKGE Fc1cc(Br)c(Br)cc1[C@H](Cl)c1cscc1OCc1ccccc1 2213488488 FPBWBRALENHFMQ-SFHVURJKSA-N 490.619 7.319 50 10 JKGE Clc1cc([C@@H](Cl)c2c(Br)cc(Cl)c(Cl)c2Cl)c(Cl)s1 2224317863 RLQZFSGWJPKNRN-MRVPVSSYSA-N 459.834 8.106 50 10 JKGE COc1cc(Br)ccc1[C@@H](Br)c1sc(Br)c(C)c1C 2225847018 HMWUWJJITWYDMZ-GFCCVEGCSA-N 469.036 6.383 50 10 JKGE CC1(C)C(C)(C)C1(C)[C@H](Br)c1c(Br)cc(Cl)c(Cl)c1Cl 2232518519 DBHOXTZOQKXJGU-GFCCVEGCSA-N 463.468 7.918 50 10 JKGE C[C@]1(n2c(CCCl)nc3c(F)cc(Br)cc32)CCN(Cc2ccccc2)C1 2232924796 XKYYCVDAOJKQLG-NRFANRHFSA-N 450.783 5.340 50 10 JKGE Cc1cc(Br)c([C@H](Br)C2CC3(C2)CC3(F)F)c(C)c1Br 2235616752 FOOFSSXIANQKER-JRZRUSQNSA-N 472.993 6.700 50 10 JKGE FC(F)(F)Oc1ccc(Cl)cc1[C@H](Br)c1cc(Br)sn1 2239626594 YBIAMSVWRABOTP-JTQLQIEISA-N 451.489 5.942 50 10 JKGE Fc1cc(Br)c(F)c(Br)c1[C@H](Br)C1(Br)CC1 2244994102 UFCQRKPGZACUGK-VIFPVBQESA-N 483.770 5.853 50 10 JKGE COC1([C@@H](Br)c2cc(Br)c(Br)s2)CC(CF)C1 2247440876 OOYGURLPSZZCMP-CJPHDETBSA-N 450.993 5.474 50 10 JKGE Cc1sc([C@H](Cl)c2ccc(I)c(Cl)c2)c(Br)c1C 2253475387 XVKBHBOOCOXVPL-GFCCVEGCSA-N 476.004 6.714 50 10 JKGE Cc1cc([C@H](Br)Cc2cc(Br)cc(Br)c2)sc1C 2263448231 KJECSJZUHSALEU-CYBMUJFWSA-N 453.037 6.569 50 10 JKGE COc1ccc([C@@H](Cl)c2ccccc2I)c(Br)c1Cl 2268259938 OSPVBOTYEVGHJJ-ZDUSSCGKSA-N 471.947 6.044 50 10 JKGE Fc1cc(Br)c(F)c(Br)c1[C@H](Br)CCC1CCCC1 2272850010 PMTYCVNTDMBWIW-SECBINFHSA-N 460.982 6.896 50 10 JKGE FC1(F)CC12CC([C@H](Br)Cc1cc(Br)cc(Br)c1)C2 2277963064 PDRQQIWKHXCTJK-BKDHPRRPSA-N 458.966 5.953 50 10 JKGE COc1ccc([C@@H](Br)[C@H]2CC3(CCCC3)CO2)cc1I 2284998475 RIXWUOOLMQEDQI-HUUCEWRRSA-N 451.142 5.085 50 10 JKGE Cc1ccc(C(=O)Oc2ccc(C=C(C#N)C(=O)Nc3ccc(Cl)cc3Cl)cc2)cc1 2293038662 RRUGWCPMLCBJHZ-UHFFFAOYSA-N 451.309 6.067 50 10 JKGE COc1ccc(-c2nn(-c3ccccc3)cc2C=C(C#N)c2nc(O)c3ccccc3n2)cc1[N+](=O)[O-] 2296722565 MNHXQANWUKZBTH-UHFFFAOYSA-N 490.479 5.169 50 10 JKGE Cc1cc(C=C(C#N)C(=O)NCc2cccs2)c(C)n1-c1ccc(N2CCCCC2)c([N+](=O)[O-])c1 2297458322 QBPYXZXURJWMCR-UHFFFAOYSA-N 489.601 5.278 50 10 JKGE Cc1c(NC(=O)C(C#N)=Cc2cc(C)n(-c3ccc4ccccc4c3)c2C)ccc2ccccc12 2297576512 HCCAERLGQPYDJI-UHFFFAOYSA-N 455.561 7.255 50 10 JKGE COc1cc(C=C(C#N)C(=O)NCc2ccc(Cl)cc2)ccc1OC(=O)C1CCCCC1 2297616723 IADLVNMSQYVNES-UHFFFAOYSA-N 452.938 5.058 50 10 JKGE CC[C@H](C)C[C@H](Br)c1c(Cl)cc(Br)c(F)c1Br 2300178999 OEECXJPIBAQNHU-BQBZGAKWSA-N 451.399 6.876 50 10 JKGE Cc1c(Br)sc([C@H](Cl)c2c(Br)ncn2C)c1Br 2300267086 FQMUEHSLXUXVOG-ZCFIWIBFSA-N 463.420 5.406 50 10 JKGE CCCc1sc(Br)cc1[C@H](Br)c1cc(Br)sn1 2300650310 IUBMJAHVSZAONO-NSHDSACASA-N 460.054 6.166 50 10 JKGE CCOc1cc(C=C(C#N)C(=O)Nc2ccccc2CC)ccc1OCc1ccc(Cl)c(Cl)c1 2313724706 VGJGPYDZWRAFMC-UHFFFAOYSA-N 495.406 7.079 50 10 JKGE CCOc1cc(Br)c(C=C(C#N)C(=O)Nc2cc(Cl)ccc2C)cc1OCC 2313730211 FSAVBNSNHQONBL-UHFFFAOYSA-N 463.759 5.754 50 10 JKGE N#CC(=C(O)[C@@H]1Cc2ccccc2C(=O)O1)c1nc(-c2ccc(Br)cc2)cs1 2314457754 XCOTWPLIOCCRHP-SFHVURJKSA-N 453.317 5.147 50 10 JKGE C[C@@H]1OC2(C)CC1([C@H](Br)c1ccc(OCc3ccccc3)cc1Br)C2 2314463552 ZLBJZTXWVSNGRA-SDMIETSPSA-N 466.213 6.422 50 10 JKGE CC1=C(C#N)C(=O)N(Cc2ccc(F)cc2)C(=O)C1=Cc1ccc(-c2cccc(Cl)c2Cl)o1 2314620987 XXPBZLGEDPLTQT-UHFFFAOYSA-N 481.310 6.185 50 10 JKGE COc1cc(C=C(C#N)c2ccc(Cl)cc2)ccc1OC(=O)COc1ccccc1C(C)(C)C 2314720501 SOGHOEGYPDLYEO-UHFFFAOYSA-N 475.972 6.695 50 10 JKGE CC(C)(C)[C@H](CBr)COCc1ccc(I)c(Br)c1 2325387389 XEBXXUPOVCFQIM-LLVKDONJSA-N 490.017 5.628 50 10 JKGE COc1ccc(C=C(C#N)c2nc3ccccc3n2C)cc1OCc1ccc(Cl)c(Cl)c1 2331019707 NUETUXADJUOAPM-UHFFFAOYSA-N 464.352 6.532 50 10 JKGE COc1cc(C=CC(O)=C(C#N)c2nc(-c3cc(C)ccc3OC)cs2)ccc1OC(C)=O 2331322873 BEZBRJWVHFCVNS-UHFFFAOYSA-N 462.527 5.567 50 10 JKGE CCc1cccc(C)c1N1C[C@H](C(O)=C(C#N)c2nc(-c3cc(C)ccc3OC)cs2)CC1=O 2331323613 LAJUBJJWZSSNIK-LJQANCHMSA-N 473.598 5.844 50 10 JKGE COc1cc(C)c(-c2csc(C(C#N)=C(O)CCCOc3ccccc3Cl)n2)cc1C(C)C 2331356057 JOEAUZGWFILNQQ-UHFFFAOYSA-N 483.033 7.556 50 10 JKGE CCc1ccccc1OCC(O)=C(C#N)c1nc(-c2cc(OC)c(Cl)cc2OC)cs1 2331377256 CHYJDJWZPNEGGC-UHFFFAOYSA-N 456.951 5.915 50 10 JKGE COc1cc(Cl)c(C)cc1-c1csc(C(C#N)=C(O)[C@H](C)N2C(=O)c3ccccc3C2=O)n1 2331390560 NICUOMHUUVGFCQ-ZDUSSCGKSA-N 479.945 5.258 50 10 JKGE CCc1ccc(-c2csc(C(C#N)=Cc3ccc(OCc4ccc(Cl)cc4)c(OC)c3)n2)cc1 2331417784 PJPPPEAHONCRSZ-UHFFFAOYSA-N 487.024 7.678 50 10 JKGE C=C(CO)[C@@H]1CC[C@@H]2[C@]3(C)CC[C@H]([C@H](C)CCC=C(C)C=O)[C@]3(C)CC[C@]23C[C@@]13CCC(=O)O 2333297254 IOFXIXOKOAYADV-RKUCUOLRSA-N 470.694 6.580 50 10 JKGE Cc1cc(I)c(Oc2ncc(Br)cc2CCl)cc1Cl 2336453292 HRTPIJQJWGTVRH-UHFFFAOYSA-N 472.935 5.942 50 10 JKGE Fc1ccc(OCc2ccc(Cl)c(I)c2)c(CBr)c1 2337270328 KBDSVUFOWFTLHD-UHFFFAOYSA-N 455.492 5.558 50 10 JKGE Cc1cc(Br)c(F)c(Br)c1[C@H](Br)[C@@H]1C[C@H]2CC[C@H]1O2 2339652292 XYQVRKXNFIXOHC-FWSPBBIJSA-N 456.975 5.663 50 10 JKGE Cc1ccc([C@H](Cl)c2c(F)cc(Cl)c(Br)c2Cl)cc1Br 2360492438 HAQWAPFFROHKQD-ZDUSSCGKSA-N 461.383 7.294 50 10 JKGE FC1(F)C2(CC2)C12CC([C@H](Cl)c1cc(Br)ccc1OCc1ccccc1)C2 2361170594 FDLICNSTGTWBGE-RNFHDMOYSA-N 453.754 7.134 50 10 JKGE COc1c(Br)cc(C)c([C@@H](Br)C2(C(C)(F)F)CC2)c1Br 2365234362 INIISKQFZULHKX-GFCCVEGCSA-N 476.981 6.400 50 10 JKGE COc1c(Br)cc(C)c([C@@H](Br)C(C)(C)C2CCC2)c1Br 2365235089 KUBSMPJLIWJDCP-OAHLLOKOSA-N 469.055 6.791 50 10 JKGE CC[C@@H](C)c1ccc([C@@H](Br)c2ccc(Cl)cc2I)cc1 2365592042 KIBBVEPSZMTJMM-PIGZYNQJSA-N 463.584 6.942 50 10 JKGE O=C(NCC[C@@H]1CCCC[C@H]1Br)c1ccc(Cl)cc1I 2365595972 PNFYMRWPWWXERF-GXFFZTMASA-N 470.576 5.018 50 10 JKGE CCC(CC)(CBr)CN1C[C@@H]2CC(F)(F)CC[C@]2(NC(=O)OC(C)(C)C)C1 2370175594 RGQGDDPJQQJUHS-KXBFYZLASA-N 453.412 5.202 50 10 JKGE Cc1ccc(CN(C(=O)CCl)[C@@H](C(=O)NC2CCCCCC2)c2ccc(Cl)cc2)cc1 3038804 QVOLBIZAUNDPJP-XMMPIXPASA-N 461.433 5.796 50 10 JKGE CCc1ccc([C@H]2C(C#N)=C(N)N(c3ccc(Cl)c([N+](=O)[O-])c3)C3=C2C(=O)CC(C)(C)C3)s1 6284166 IAZSTRUTTBBFIP-OAQYLSRUSA-N 482.993 5.813 50 10 JKGE CC(C)(C)c1ccc(OCC(=O)N/N=C/c2c(O)ccc3ccccc23)c(Br)c1 12403448 FBOAABAWKNKSGB-DHRITJCHSA-N 455.352 5.135 50 10 JKGE CCN(CC)S(=O)(=O)c1ccc(C(=O)Oc2ccc(/C=C(/C#N)c3ccccc3OC)cc2)cc1 31900559 TZHZPAJBPKHGEZ-PYCFMQQDSA-N 490.581 5.009 50 10 JKGE N#CC1=C(N)Oc2cc(OC(=O)c3ccccc3)ccc2[C@H]1c1ccc(OCc2ccccc2)cc1 38650891 KDFXYIMKJLCTMD-MUUNZHRXSA-N 474.516 5.703 50 10 JKGE CCCOc1cccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4cccc(Cl)c4)ccc32)c1 38684481 IFHPZSHCONNROQ-XMMPIXPASA-N 460.917 5.566 50 10 JKGE CCOc1cc(/C=C(\C#N)C(=O)N[C@@H](C)c2ccccc2)ccc1OCc1ccc(Cl)cc1Cl 40007602 VKUKHRCSSQNRRI-ZFJBLLOBSA-N 495.406 6.755 50 10 JKGE O=C(CSc1nc(-c2ccc(Cl)cc2)cs1)N/N=C/c1c(Cl)cccc1Cl 40924699 IRFYKSWUQXZYDX-GZIVZEMBSA-N 456.807 6.013 50 10 JKGE COc1cc(/C=N\NC(=O)CC[C@@H](O)c2ccccc2)cc(Cl)c1OCc1ccc(C)cc1 58889869 BKRSJNSNOOUHOQ-GXZQEHIMSA-N 466.965 5.200 50 10 JKGE O=C(N/N=C/c1cc(Cl)c(OCc2cccc3ccccc23)c(Cl)c1)c1cc2ccccc2o1 59680384 XITFBIXMHCWWPT-FJEPWZHXSA-N 489.358 7.236 50 10 JKGE COC(=O)c1ccc(-n2c(C)cc(/C=C(/C#N)C(=O)Nc3ccc(SC(F)F)cc3)c2C)cc1 89578096 JSAWWLWJQOPUBT-UYRXBGFRSA-N 481.524 5.741 50 10 JKGE COc1cccc(CN(C(=O)CCl)[C@H](C(=O)N[C@@H]2CCC[C@H](C)[C@@H]2C)c2ccc(C)cc2)c1 97914511 FMUYGYARFDDZNR-NLVWIRSPSA-N 471.041 5.253 50 10 JKGE CCc1ccc(N2C(=O)[C@@H](Cc3ccc(C)cc3)S/C2=C(/C#N)C(=O)Nc2ccccc2OC)cc1 101246416 FEKGEPRJXZAHMZ-LVVXZCGBSA-N 497.620 5.631 50 10 JKGE CCCCCCCCCCOc1ccc(C(=O)N/N=C/c2cc([N+](=O)[O-])ccc2Cl)cc1 103736576 JJEULZYPYUZXRC-NLRVBDNBSA-N 459.974 6.532 50 10 JKGE COc1ccc(COc2c(Br)cccc2CBr)cc1Br 110378541 WBYVLOZYIDZUOK-UHFFFAOYSA-N 464.979 5.694 50 10 JKGE Cc1cc(Br)c([C@H](Br)c2cc(F)c(F)c(F)c2)cc1Br 128817785 BURCQZJAFHLTIZ-CYBMUJFWSA-N 472.924 6.422 50 10 JKGE FC(F)(F)Oc1ccc([C@H](Br)c2cc(Br)c(Br)s2)cc1 131411219 GBNQJMLNVRYLPF-JTQLQIEISA-N 494.952 6.656 50 10 JKGE C[C@H](C(=O)Nc1nc(CCl)cs1)N1C(=O)c2c(Cl)c(Cl)c(Cl)c(Cl)c2C1=O 170535177 SOYJYLCPBPXWQW-SCSAIBSYSA-N 487.579 5.119 50 10 JKGE N#C/C(=C/Nc1cc([N+](=O)[O-])ccc1Cl)C(=O)Nc1ccccc1Sc1ccccc1 217243490 HYRNSZUVHNUSGY-PFONDFGASA-N 450.907 5.857 50 10 JKGE BrCc1cc(Br)c(OCCOc2ccccc2)c(Br)c1 232484610 XTNPJOISKXTMRG-UHFFFAOYSA-N 464.979 5.564 50 10 JKGE COc1ccc(Oc2ccc(Br)cc2CBr)c(Br)c1 234979185 IHCFUJIRWAEEOP-UHFFFAOYSA-N 450.952 5.907 50 10 JKGE Oc1cccc(COc2c(Br)cc(Br)cc2CBr)c1 311949485 JIKHNEQKBFQKCO-UHFFFAOYSA-N 450.952 5.391 50 10 JKGE Fc1cccc([C@H](Cl)c2scc(C(F)(F)F)c2Br)c1Br 312844443 OETXIOMWOUYQRM-JTQLQIEISA-N 452.492 6.759 50 10 JKGE CC(C)(COCc1ccccc1)n1c(CCCl)nc2cc(I)c(F)cc21 389950204 SJJAYTYWIPDRHC-UHFFFAOYSA-N 486.756 5.513 50 10 JKGE Clc1cc([C@@H](Br)Cc2ccc(Br)cc2)c(Cl)c(Cl)c1Cl 404644710 FTCWFMADFREYDH-JTQLQIEISA-N 477.838 7.741 50 10 JKGE Cc1c(Br)cccc1[C@@H](Br)c1cc(Cl)c(Cl)c(Cl)c1Cl 404671547 YFDAMSAIKIWUSN-LLVKDONJSA-N 477.838 7.855 50 10 JKGE Cc1cccnc1CCOc1c(Br)cc(Br)cc1CBr 404840619 JOEWAJYNBASATQ-UHFFFAOYSA-N 463.995 5.431 50 10 JKGE N#CSc1ccc(NC(=O)Nc2cccc(C(=O)Nc3cccc(C(F)(F)F)c3)c2)cc1 586733225 WHKXJXIKKXTTEA-UHFFFAOYSA-N 456.449 6.175 50 10 JKGE Cn1c(=O)oc2cc([C@H](Br)c3scc(Br)c3Br)ccc21 705467276 XKIACKJNXTVCCA-JTQLQIEISA-N 481.991 5.202 50 10 JKGE Cc1cc(C=NNC(=O)[C@@H](C)Sc2ccc(Cl)cc2)c(C)n1-c1ccc(Cl)c(Cl)c1 1084153334 BALPXMVWXSCIDE-OAHLLOKOSA-N 480.848 6.685 50 10 JKGE COc1cc(C=NNC(=O)CC[C@@H](O)c2ccccc2)cc(Cl)c1OCc1cccc(F)c1 1084485868 MDGWMHBASICRNG-JOCHJYFZSA-N 470.928 5.031 50 10 JKGE Cc1ccc(-n2c(C)cc(C=NNC(=O)C(=O)Nc3ccc(Cl)c(C(F)(F)F)c3)c2C)cc1C 1084519283 SHQHGJUJZAALIG-UHFFFAOYSA-N 490.913 5.472 50 10 JKGE 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 1616183671 IOFXIXOKOAYADV-XDYKZNRLSA-N 470.694 6.580 50 10 JKGE CCCc1nn(-c2ccc(Cl)c(Cl)c2)c2c1[C@H](c1ccc(OCC)c(OC)c1)C(C#N)=C(N)O2 1865695206 MQUZIVYMYKSLTL-JOCHJYFZSA-N 499.398 5.757 50 10 JKGE Cc1nc(Nc2ccc(SC#N)cc2)cc(N2CCC(Cc3ccc([N+](=O)[O-])cc3)CC2)n1 1868480248 IUBWPWVMQCAWJG-UHFFFAOYSA-N 460.563 5.469 50 10 JKGE COc1ccc(-c2csc(/C(C#N)=C(O)/C(=C\c3ccccc3)c3ccccc3)n2)cc1C 1872746388 FXEBJEAEKDZPSR-SNJXSLKZSA-N 450.563 7.161 50 10 JKGE COc1cc(/C=C/C(O)=C(\C#N)c2nc(-c3ccc4c(c3)OCCO4)cs2)cc(OC)c1OC 1872751065 SAXJPDOMVOMSQI-BWHYBYEUSA-N 478.526 5.113 50 10 JKGE CC(C)c1ccc(-c2csc(/C(C#N)=C(\O)CNC(=O)c3ccc(C(C)(C)C)cc3)n2)cc1 1872752050 KSFMEEBWKMJAHL-GYHWCHFESA-N 459.615 6.454 50 10 JKGE CCOc1cc(/C=C(\C#N)c2nc(-c3ccc(F)cc3)cs2)ccc1OCC(=O)N(CC)CC 1872791491 KQYPTJRDIMIIFA-DEDYPNTBSA-N 479.577 5.659 50 10 JKGE C[C@H](Oc1ccc(Cl)cc1Cl)/C(O)=C(\C#N)c1nc(-c2ccc(-c3ccccc3)cc2)cs1 1873940680 CJVTXXVJXVXXEJ-HDUHFAKSSA-N 493.415 8.044 50 10 JKGE FC(F)(CBr)[C@H]1CCN(Cc2cc(Br)ccc2Br)C1 1892701762 YYBQRQMEKAVPKJ-JTQLQIEISA-N 461.970 5.064 50 10 JKGE Cc1scc(C(=O)N(Cc2ccccc2)[C@H](CBr)C2CC2)c1Br 1902872549 RIATUVVZWNATMD-MRXNPFEDSA-N 457.231 5.635 50 10 JKGE Cc1scc([C@@H](Cl)c2cc(Br)sc2Br)c1Br 1902877440 SLOBQRCNQRBRQF-VIFPVBQESA-N 465.457 6.734 50 10 JKGE C[C@H](CBr)N(Cc1ccccc1)S(=O)(=O)c1ccc(Br)cc1Cl 1914353021 LUHUEZBSMFKYKI-GFCCVEGCSA-N 481.637 5.077 50 10 JKGE CC(C)[C@@H](CCl)N(Cc1ccccc1)C(=O)c1cccc(Br)c1Br 1915281454 RGDUWLSPBIESTP-QGZVFWFLSA-N 473.636 6.117 50 10 JKGE Cc1ccc([C@@H](Br)c2sc(Br)c(C)c2Br)cc1C 1922945368 FQZSMJDKQNNAKC-GFCCVEGCSA-N 453.037 6.683 50 10 JKGE CCCCC1CCC([C@H](Cl)c2c(Br)sc(Br)c2Cl)CC1 1923050325 SVJVMDXPICJSRV-CBINBANVSA-N 463.106 8.203 50 10 JKGE CC(C)(C)C(C)(C)[C@H](Cl)c1c(Br)sc(Br)c1Br 1924584340 WRZDXXDQYXDBQK-MRVPVSSYSA-N 467.492 7.388 50 10 JKGE FC(F)(F)c1ccc([C@@H](Br)c2c(Cl)sc(Br)c2Cl)o1 1925545270 CVFJRNBPSROQJE-ZCFIWIBFSA-N 458.908 6.914 50 10 JKGE BrCc1cc(Br)ccc1N1C[C@@H]2[C@H](CCN2Cc2ccccc2)C1 2015064049 BKLGVJDAHOBBTI-OXQOHEQNSA-N 450.218 5.055 50 10 JKGE FC1(F)CC2(C[C@H]2[C@@H](Br)c2cc(Br)c(Br)s2)C1 2015445278 UJKMOQOBRQSOMU-YLWLKBPMSA-N 450.968 6.145 50 10 JKGE Cc1nn(C)c([C@H](Cl)c2cc(Br)c(Br)s2)c1Br 2017386447 NCEUAEISNXCAJG-MRVPVSSYSA-N 463.420 5.406 50 10 JKGE Cc1cc(C=C(C#N)c2nc3ccccc3s2)c(C)n1-c1ccc(I)cc1 2040446994 NKQDKOPALJVGDG-UHFFFAOYSA-N 481.362 6.373 50 10 JKGE C[C@H]1CCN(c2cc(Br)cc(F)c2CBr)CCN1Cc1ccccc1 2051131951 SSIRZSTYFBMPDR-HNNXBMFYSA-N 470.224 5.584 50 10 JKGE CC(C)(C)OC(=O)NC[C@](C)(CI)OC[C@H]1C[C@H]1C1CCCCCC1 2080295924 BETOVFKWLTVDRK-UWVAXJGDSA-N 465.416 5.328 50 10 JKGE Cc1cc(Br)c(C)c([C@H](Br)c2sccc2Cl)c1Br 2081069825 DVLQTOYKFOGMPN-LBPRGKRZSA-N 473.455 7.028 50 10 JKGE Cc1ccc(Br)c([C@@H](Br)c2ccc(Br)cc2Br)c1 2083337551 JDIMJHZNKQFYEN-AWEZNQCLSA-N 497.850 6.767 50 10 JKGE ClCc1cc(Br)cc(Br)c1OCc1cc(Br)sn1 2084093635 VTETUOWKYSYXOT-UHFFFAOYSA-N 476.415 5.748 50 10 JKGE Cc1c(Cl)cc([C@@H](Cl)c2c(Cl)sc(Br)c2Cl)cc1Br 2111087812 XQMIVKSWQXYQRP-SECBINFHSA-N 483.867 7.870 50 10 JKGE ClCc1nc2cc(Cl)c(Br)cc2n1[C@H]1[C@@H]2CN(Cc3ccccc3)C[C@@H]21 2112691940 ZZSJZBUADKIJRO-IKDJWVMYSA-N 451.195 5.494 50 10 JKGE O=S(=O)(c1cc(F)ccc1CBr)N(Cc1ccccc1)Cc1cccs1 2123201115 RUCZKVDVOBDZOV-UHFFFAOYSA-N 454.386 5.173 50 10 JKGE BrCc1cc(Br)cc(Br)c1OC[C@@H]1C[C@@H]2CC[C@@H]2C1 2132520481 XLGMEJMLYOXEGG-JGPRNRPPSA-N 453.012 5.922 50 10 JKGE FC(F)(F)c1ccc([C@H](Br)c2sc(Cl)cc2Br)cc1Cl 2154476971 CSCQQVTYSXBATH-JTQLQIEISA-N 468.947 7.321 50 10 JKGE CCCCO[C@@H]1[C@@H](Cl)C[C@H]1Oc1c(Br)cc(Br)cc1Br 2175005418 ZXOVYPKCJKOKFX-OUCADQQQSA-N 491.445 5.918 50 10 JKGE FC(F)c1nc(COc2c(Br)cc(Br)cc2CBr)cs1 2188698474 WSCAOUWZCMXQKD-UHFFFAOYSA-N 491.977 6.080 50 10 JKGE C[C@H]1OC2(CC(CBr)(CBr)c3ccccc3Br)CC1C2 2188987444 YQIHGLOOFWXFMW-OPGSHWCFSA-N 467.039 5.434 50 10 JKGE FC(F)(F)C1(COc2c(Br)cc(Br)cc2CBr)CCC1 2191283670 YGFWUFNQDSZQBD-UHFFFAOYSA-N 480.944 6.218 50 10 JKGE CCc1cccnc1COc1c(Br)cc(CBr)cc1Br 2193298135 PLXTXQGVIFVLLD-UHFFFAOYSA-N 463.995 5.643 50 10 JKGE Cc1cc(Br)c(C)c([C@H](Br)C[C@@H]2CCC[C@@H]3C[C@H]23)c1Br 2201079132 QVIPXWWKRFLZBJ-UKTARXLSSA-N 465.067 7.091 50 10 JKGE COc1cc(Cl)c([C@H](Cl)c2ccc(Br)cc2Cl)cc1Br 2202342617 BAILGKJULVXDHH-CQSZACIVSA-N 459.392 6.855 50 10 JKGE COc1ccc([C@H](Br)c2cccc(Br)c2Cl)c(Cl)c1Cl 2203433927 UHVXZZRRDHUDTQ-LLVKDONJSA-N 459.392 6.902 50 10 JKGE O=[N+]([O-])c1ccccc1C[C@H](Cl)c1ccc(Br)cc1I 2207264682 INKUKLRVUKOSRQ-LBPRGKRZSA-N 466.500 5.485 50 10 JKGE Clc1cc(CN2C[C@H](CBr)C3(CCCC3)C2)ccc1I 2208046839 WVRDHKVXPAUUMG-ZDUSSCGKSA-N 468.604 5.332 50 10 JKGE Cl[C@@H](Cc1sc(Br)c(Br)c1Br)c1ccccn1 2216422028 TYRLXUNKDWURCU-LURJTMIESA-N 460.416 5.953 50 10 JKGE Fc1ccc(Cl)c(F)c1[C@@H](Cl)c1c(Br)sc(Br)c1Cl 2226585607 JQRADCGWWUAICD-SSDOTTSWSA-N 471.375 7.186 50 10 JKGE CC[C@H]([C@H](Br)c1c(Br)cc(C)c(Br)c1C)C(C)(F)F 2227351133 JYWFTVYFZRVGOI-RNCFNFMXSA-N 462.998 6.946 50 10 JKGE Cc1c(Br)csc1[C@@H](Br)c1c(F)cc(F)c(Br)c1F 2227806998 JVRWQAWNLLKSHL-JTQLQIEISA-N 478.953 6.483 50 10 JKGE CC1(C)OCCO[C@H]1[C@@H](Br)c1c(Br)cc(Cl)c(Cl)c1Cl 2232513334 XBRCWOICAWEHRD-CABZTGNLSA-N 467.412 6.039 50 10 JKGE COc1c(C(C)C)cc(Br)cc1[C@@H](Br)c1cc(Br)cs1 2233167897 SPWMAOZXLSQAGL-CQSZACIVSA-N 483.063 6.889 50 10 JKGE Fc1cc(Br)c(Br)cc1[C@@H](Br)c1c(F)ccc(Cl)c1F 2234924914 BTCZEVGSYYKAPH-GFCCVEGCSA-N 493.342 6.767 50 10 JKGE Cc1cc(Br)c([C@H](Br)C23CCC(CC2)OC3)c(C)c1Br 2235610595 GGTHNFVKAVANPH-AJQRCPHMSA-N 467.039 6.224 50 10 JKGE Fc1cc(F)c([C@H](Br)c2cc(Cl)ccc2Br)c(F)c1Br 2236110826 RLAVKAHZBDRWJQ-LLVKDONJSA-N 493.342 6.767 50 10 JKGE Cc1cc([C@H](Br)c2ccc([C@H]3CCOC3)s2)ccc1I 2240437724 WIAMKTUMDAWLAA-LRDDRELGSA-N 463.178 5.649 50 10 JKGE COc1ccc([C@@H](Cl)c2csc(I)c2)cc1I 2248885365 KCQGQSIYFXDLKT-GFCCVEGCSA-N 490.531 5.294 50 10 JKGE Cc1c(Br)sc([C@H](Br)[C@]23CCCC[C@H]2CC3)c1Br 2260513495 UTLPWMMBVPTMAA-WFBYXXMGSA-N 457.069 6.988 50 10 JKGE Fc1cc(Cl)c(Br)cc1[C@H](Cl)c1ccc(Cl)c(I)c1 2268276058 UTSZVCOBTYAJPW-CYBMUJFWSA-N 494.356 6.828 50 10 JKGE Cc1ccc([C@H](Cl)Cc2cc(Br)cc(Br)c2)c(Br)c1 2277957800 XCTQARMVWMAELG-OAHLLOKOSA-N 467.426 6.805 50 10 JKGE Cc1ccc(CBr)cc1NC(=O)c1csc(Br)c1Br 2278642081 IADBWJIULKTASG-UHFFFAOYSA-N 468.008 5.729 50 10 JKGE Cc1cc(F)c(Br)cc1[C@H](Br)[C@H](C)c1ccncc1Br 2285952665 MMEHKGLMIDAYSB-RFAUZJTJSA-N 465.986 6.294 50 10 JKGE COc1ccc([C@@H](Cl)c2cc(Br)c(F)cc2Cl)cc1I 2285987028 DCAMWZCLVIVOFN-CQSZACIVSA-N 489.937 6.183 50 10 JKGE C[C@H](Br)CN(CC(C)(C)C)C(=O)c1c(Br)cccc1Br 2288078053 HTIHJVUOARVCNN-JTQLQIEISA-N 470.043 5.483 50 10 JKGE CCOC(=O)C(C#N)=Cc1c(C)n(CCOc2ccc(C3CCCCC3)cc2)c2ccccc12 2293520688 LCINDIUPXJJUNF-UHFFFAOYSA-N 456.586 6.547 50 10 JKGE Cc1ccc(OCCOc2c(Cl)cc(Cl)cc2C=C(C#N)C(=O)NCc2ccccc2)c(C)c1 2293571158 JPGXUEPGEFZLBB-UHFFFAOYSA-N 495.406 6.291 50 10 JKGE Cc1cc(C(F)(F)F)sc1[C@@H](Cl)c1c(Br)sc(Br)c1Cl 2295056511 HJTOPFBRJLVWJV-LURJTMIESA-N 489.003 7.643 50 10 JKGE COc1c(Br)cc(Cl)cc1[C@H](Cl)c1c(Br)sc(C)c1C 2295377356 DIDSOLCHQWHDSO-LBPRGKRZSA-N 459.030 6.880 50 10 JKGE N#CC(=Cc1cc(Br)cc(Br)c1O)C(=O)Nc1cccc2ccccc12 2296819194 SOHLZBLPWRAMQE-UHFFFAOYSA-N 472.136 5.616 50 10 JKGE N#CC(=Cc1ccc(-c2ccc(Br)cc2)o1)C(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1 2297306983 VMBIWVZUPQRQCM-UHFFFAOYSA-N 472.682 5.816 50 10 JKGE COc1ccccc1NC=C(C#N)c1nc(-c2cc3c(ccc4ccccc43)oc2=O)cs1 2297321323 CEZWFCFJDMFKLI-UHFFFAOYSA-N 451.507 6.055 50 10 JKGE FC(F)(F)[C@@H]1C[C@@H]1[C@H](Br)c1ccc(OCc2ccccc2)cc1Br 2299495231 KORVDYOPAOWASV-ZMSDIMECSA-N 464.119 6.663 50 10 JKGE CCCc1sc(Br)cc1[C@@H](Cl)c1sccc1I 2300646718 RWLYSKMHKABQBW-LLVKDONJSA-N 461.615 6.457 50 10 JKGE CCN(CC)c1ccc(C=C(C#N)C(=O)Nc2cccc(Cl)c2Cl)cc1Br 2313571048 MDDUOVFTKZZUEZ-UHFFFAOYSA-N 467.194 6.148 50 10 JKGE COc1cc(C=C(C#N)C(=O)Nc2ccc(Cl)cc2)ccc1OCc1ccccc1Cl 2313630966 IPUZTYYRIUMRQT-UHFFFAOYSA-N 453.325 6.127 50 10 JKGE COc1ccc(C=C(C#N)C(=O)Nc2cc(Cl)ccc2Cl)cc1OCc1ccc(Cl)cc1 2313631965 ZXSKVHPTXKFBBZ-UHFFFAOYSA-N 487.770 6.780 50 10 JKGE COc1cc(C=C(C#N)C(=O)Nc2cccc(C(F)(F)F)c2)cc(Br)c1OC 2313670742 SQPJGRBTAIHBMW-UHFFFAOYSA-N 455.230 5.031 50 10 JKGE CC(NNC(=O)C(c1ccccc1)c1ccccc1)=C1C(=O)N(c2ccccc2)N=C1c1ccccc1 2313682738 JQRFVZZJQPWTQP-UHFFFAOYSA-N 486.575 5.164 50 10 JKGE Fc1cc(Cl)c(Br)c(Cl)c1[C@@H](Br)c1cscc1Br 2313827579 TYQBMZNLKDLKBY-VIFPVBQESA-N 497.836 7.203 50 10 JKGE Brc1ccc(OCc2ccccc2)c([C@H](Br)[C@@H]2C[C@H]3C[C@H]2[C@@H]2C[C@H]32)c1 2314500983 SKGQJTPJDCCICY-NLWWWPPXSA-N 462.225 6.756 50 10 JKGE FC(F)(F)C1([C@H](Br)c2ccc(OCc3ccccc3)cc2Br)CCC1 2314503154 PLDPGSJVOFKTGZ-QGZVFWFLSA-N 478.146 7.197 50 10 JKGE Fc1c(Br)cc(Cl)c([C@H](Cl)c2sccc2Cl)c1Br 2315452505 CTDSEJSULJJOSF-VIFPVBQESA-N 453.385 7.047 50 10 JKGE CC(C)[C@H](Br)C(C)(C)NC(=O)c1cc(Br)c(Br)s1 2318141284 DQWSEUDJKWFOFQ-VIFPVBQESA-N 462.045 5.201 50 10 JKGE ClCc1cc(Br)c(OCc2nc(Br)cs2)c(Br)c1 2320005344 YEAPMSFHTLFBRB-UHFFFAOYSA-N 476.415 5.748 50 10 JKGE CC[C@H](C)[C@H](NC(=O)OC(C)(C)C)C(=O)NN=Cc1ccc(OCc2c(F)cccc2Cl)cc1 2328821225 JDPCNMZNPRBAOS-AOMKIAJQSA-N 491.991 5.448 50 10 JKGE CSCC[C@H](NC(=O)C=C(c1ccc(C)c(C)c1)C1CC1)C(=O)Nc1ccc(SC#N)cc1 2329611459 MMUHSXUYHGEVAC-DEOSSOPVSA-N 479.671 5.547 50 10 JKGE COc1ccc(-c2csc(C(C#N)=C(O)C(=Cc3ccccc3)c3ccccc3)n2)cc1C 2331259239 FXEBJEAEKDZPSR-UHFFFAOYSA-N 450.563 7.161 50 10 JKGE COc1ccccc1-c1csc(C(C#N)=C(O)[C@H](CC(C)C)N2C(=O)c3ccccc3C2=O)n1 2331281903 GCFICAIDIMPXNY-NRFANRHFSA-N 473.554 5.322 50 10 JKGE CCOc1ccc(C=CC(O)=C(C#N)c2nc(-c3cccc4ccccc34)cs2)cc1OC 2331339109 HJKINBNTOUWIFU-UHFFFAOYSA-N 454.551 6.877 50 10 JKGE CCCCCCCOc1ccc(-c2csc(C(C#N)=C(O)C=Cc3ccc(F)cc3)n2)cc1 2331345522 QQIRALMKTSPAAD-UHFFFAOYSA-N 462.590 7.804 50 10 JKGE COc1cc(C)c(-c2csc(C(C#N)=C(O)COc3c(C)ccc(C)c3C)n2)cc1C(C)C 2331356153 VETXRENVSOGEES-UHFFFAOYSA-N 462.615 7.047 50 10 JKGE CCOc1ccc(-c2csc(C(C#N)=C(O)[C@H](C)Oc3ccc(C(C)C)cc3)n2)c(OCC)c1 2331386602 RKUATGBKSWVVFC-SFHVURJKSA-N 478.614 6.991 50 10 JKGE CCOc1ccc(C=C(C#N)c2nc(-c3ccc(-c4ccccc4)cc3)cs2)cc1OCC 2331414106 GPCDCLPLHAPXML-UHFFFAOYSA-N 452.579 7.339 50 10 JKGE Fc1cc(F)c([C@@H](Cl)c2cc(Br)ccc2OCc2ccccc2)cc1Cl 2336074292 DNAGYYLDKFITRY-HXUWFJFHSA-N 458.129 7.288 50 10 JKGE CCCCO[C@@H]1[C@@H](Br)C[C@H]1Oc1cc(Br)cc(Br)c1 2338761516 YLIGERQIBDOZPD-BFHYXJOUSA-N 457.000 5.312 50 10 JKGE FC(F)(F)c1cccc([C@@H](Br)c2sc(Cl)cc2I)c1 2338774342 WZNGJUGUSKHWFM-SNVBAGLBSA-N 481.502 6.509 50 10 JKGE Fc1cc(C[C@@H](Br)c2ccc(Cl)cc2I)ccc1Cl 2340046615 VORSVDUQDPCDKB-LLVKDONJSA-N 473.938 6.416 50 10 JKGE Clc1cccc([C@@H](Br)CCc2ccc(Cl)cc2I)c1 2341060865 ZWPQPUOIRJMAAQ-AWEZNQCLSA-N 469.975 6.667 50 10 JKGE Cl[C@@H]1CCC[C@]12CCN(Cc1ccc(I)c(Br)c1)C2 2349861422 XILUKRLAISSTCC-HUUCEWRRSA-N 454.577 5.037 50 10 JKGE Clc1ccc(I)cc1CN1[C@H](CBr)CCC12CCC2 2352432247 QMPMIHLVCWADAN-ZDUSSCGKSA-N 454.577 5.227 50 10 JKGE Fc1cc(Br)c(F)c(Br)c1[C@@H](Br)[C@@H]1CC[C@@H]2[C@H]1C2(F)F 2359722099 QMZWLQYYAVXJQN-LBAYDFSESA-N 480.919 6.217 50 10 JKGE Cc1cccc([C@@H](Cl)c2c(F)cc(Cl)c(Br)c2Cl)c1Br 2360495775 XKWCYRVEADNRLB-CYBMUJFWSA-N 461.383 7.294 50 10 JKGE Cc1cc(Br)c(F)c(Br)c1[C@H](Cl)Cc1cccc(Br)c1 2365175974 LWPZGZFZIJOVLV-GFCCVEGCSA-N 485.416 6.944 50 10 JKGE COc1c(Br)cc(C)c([C@@H](Br)[C@H]2CCCOCC2)c1Br 2365191441 NZEYLNIQAGQHNA-GWCFXTLKSA-N 471.027 5.781 50 10 JKGE COc1c(Br)cc(C)c([C@H](Br)[C@@]23CCOC[C@@H]2C3)c1Br 2365194758 UZISUGITFSCNTD-ULKVUYOBSA-N 469.011 5.391 50 10 JKGE Cc1cc(Cl)cc([C@H](Br)c2c(C)cc(Br)c(F)c2Br)c1 2365214856 FDDKWBDIUQPXIT-ZDUSSCGKSA-N 485.416 7.105 50 10 JKGE CCCCCCCC[C@@H](Br)c1c(C)cc(Br)c(F)c1Br 2365216921 ZIZQOXNHRFBDOP-GFCCVEGCSA-N 473.062 7.846 50 10 JKGE COc1c(Br)cc(C)c([C@@H](Br)CC[C@@H]2CC2(C)C)c1Br 2365232640 CSNVBOLOJFYKJG-MNOVXSKESA-N 469.055 6.791 50 10 JKGE CCc1cc([C@H](Br)CCc2cc(Cl)cc(Cl)c2)sc1Br 2366791988 DBSUEOQUYLFSGS-CYBMUJFWSA-N 457.058 7.449 50 10 JKGE COc1c(CBr)cccc1OCc1ccc(Br)cc1Br 2367241977 YGAIVMFHCOVSCS-UHFFFAOYSA-N 464.979 5.694 50 10 JKGE CCOc1ccc([C@H](Br)c2ccc(Cl)cc2I)c(F)c1 2367474796 QRUCMRFIABRNSS-HNNXBMFYSA-N 469.519 5.967 50 10 JKGE CC(C)[S@](=O)(=NC[C@](C)(CBr)C(C)(C)C)[C@H]1CCN(C(=O)OC(C)(C)C)C1 2380159752 HTCWCJBNAYVNTF-COYUYZSTSA-N 467.514 5.320 50 10 JKGE CC[C@@H](Oc1ccc(-c2ccccc2)cc1)C(=O)NNC(=O)[C@H](C)Oc1ccc(Cl)cc1Cl 14768623 XQMQTHPUTYIWDH-KSFYIVLOSA-N 487.383 5.433 50 10 JKGE COc1ccc(/C(C#N)=C\c2ccc(OC(=O)c3ccc(C(F)(F)F)cc3)c(OC)c2)cc1OC 31902104 KJWNBKPCUOHCRQ-UNOMPAQXSA-N 483.442 6.015 50 10 JKGE N#C/C(=C/c1ccc(N2N=C(c3ccccc3)C[C@@H]2c2ccccc2)cc1)c1nc(O)c2ccccc2n1 33568804 QHXHXSUSLBEMLG-IAULFNNHSA-N 493.570 6.755 50 10 JKGE CCCOc1ccc(/C=C(/C#N)C(=O)Nc2scc(-c3ccc(F)cc3)c2C(=O)OCC)cc1 33730075 KRGYKIRAAZITQQ-RGEXLXHISA-N 478.545 6.065 50 10 JKGE N#C/C(=C/c1cn(Cc2ccccc2Cl)c2ccccc12)c1nnc(NC(=O)c2ccccc2)s1 33932633 OXRWVPOSCDHXLU-ZHZULCJRSA-N 495.995 6.511 50 10 JKGE C[C@H]1Oc2ccccc2C=C1/C=C(/C#N)c1nc(-c2cccs2)c(NC(=O)c2ccccc2)s1 34982836 KEEPPOLGIKTUIO-VKZJTJHYSA-N 481.602 6.895 50 10 JKGE COc1ccc(-c2nn(-c3ccccc3)cc2/C=C(/C#N)c2nc(O)c3ccccc3n2)cc1OC 34983895 DCHMSIKIRSILGT-RGEXLXHISA-N 475.508 5.269 50 10 JKGE CCCc1cc(C(=O)OC)c(NC(=O)/C(C#N)=C\c2ccc(OCc3ccccc3F)cc2)s1 34988112 ISWDOOSMWLFHFJ-UYRXBGFRSA-N 478.545 5.751 50 10 JKGE Cc1cc(Oc2nc3ccccn3c(=O)c2/C=C(\C#N)c2nc3ccccc3n2C)ccc1Cl 35549762 ZBUFPORMVOLRJL-SAPNQHFASA-N 467.916 5.400 50 10 JKGE N#CC1=C(N)Oc2cc(OC(=O)c3ccccc3Br)ccc2[C@@H]1c1ccc(F)cc1 38652462 AUTIMLHEDQVYAL-NRFANRHFSA-N 465.278 5.026 50 10 JKGE CCOc1ccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4oc5ccc(C)cc5c4C)ccc32)cc1 38701423 GJTABQYSBNEJGM-AREMUKBSSA-N 480.520 5.886 50 10 JKGE CCc1ccc(Oc2nc3ccccn3c(=O)c2/C=C(/C#N)C(=O)Nc2ccccc2Cl)cc1 39858650 XIPQGVPGRXQTOK-SDXDJHTJSA-N 470.916 5.248 50 10 JKGE Cc1cccn2c(=O)c(/C=C(\C#N)C(=O)Nc3cccc(C(F)(F)F)c3)c(Oc3ccccc3)nc12 39992803 BIAWIBIXZJDKFU-GHRIWEEISA-N 490.441 5.360 50 10 JKGE CCCOc1cccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)COc4cccc(Cl)c4)ccc32)c1 40529745 MNMVUTHEYWDWTI-AREMUKBSSA-N 490.943 5.331 50 10 JKGE CCOC(=O)N/N=C1\CCCc2oc(C(=O)Oc3ccc(-c4ccc(C#N)cc4)cc3)c(C)c21 40825611 FAULKBJBVYVMHH-SGWCAAJKSA-N 457.486 5.132 50 10 JKGE CCc1ccccc1NC(=O)/C(C#N)=C\c1ccc(OCc2ccc(Br)cc2)c(OC)c1 59266560 CZUAJWVHDYGQOG-STZFKDTASA-N 491.385 6.145 50 10 JKGE Cc1cc(C)c(/C(CSc2nc3ccccc3s2)=N\NC(=O)c2cccc([N+](=O)[O-])c2)cc1C 59460596 SQYMXXFKNFKMTB-QYQHSDTDSA-N 490.610 6.056 50 10 JKGE COc1cccc(/C=C(\C#N)C(=O)Nc2ccc3c(c2)OCCO3)c1OC/C=C\c1ccccc1 96438559 WDZNVHYHUQRVBG-YOMVWGJCSA-N 468.509 5.104 50 10 JKGE Cc1c(Cl)cccc1N/C(SCc1ccccc1F)=C(\C#N)S(=O)(=O)c1ccccc1 96482154 VUBUKAUZRNVUFR-FCQUAONHSA-N 472.994 6.299 50 10 JKGE COc1cc(/C=C(/C#N)c2cccc(Cl)c2)c(Br)cc1OCc1ccccc1Cl 96936258 XVJMUOVXVURZPE-NVMNQCDNSA-N 489.196 7.408 50 10 JKGE ClCCN(CCCl)c1ccc(Cc2ccc(Nc3ccnc4ccccc34)cc2)cc1 100098997 ONQGPAHYCASYAE-UHFFFAOYSA-N 450.413 6.853 50 10 JKGE CC1=C(C#N)C(=O)N([C@H](C)c2ccccc2)C(=O)/C1=C/c1ccc(-c2ccccc2[N+](=O)[O-])o1 101337802 OCDHYSOJGHKSBK-AQRZYSDFSA-N 453.454 5.208 50 10 JKGE C/C(=N/NC(=O)c1ccc(OCc2ccccc2)cc1)c1ccc(N2C(=O)[C@H]3CCCC[C@H]3C2=O)cc1 101527407 OUWSTWWWPIRXCK-PVYXYOGISA-N 495.579 5.099 50 10 JKGE CC(C)CCOc1ccc(-c2nn(-c3ccccc3)cc2/C=C(/C#N)C(=O)NC[C@H]2CCCO2)cc1 102679625 SKJBBFNOQZMMIH-NVINZXKXSA-N 484.600 5.166 50 10 JKGE Fc1cc2c(cc1I)nc(CCl)n2-c1ccc(Cl)cc1Br 125832275 SMUBEWOCAKHFFM-UHFFFAOYSA-N 499.936 5.924 50 10 JKGE Brc1cc([C@@H](Br)[C@H]2Cc3ccccc3O2)sc1Br 128192749 SCAIRTWVWYCJQV-PWSUYJOCSA-N 452.993 5.713 50 10 JKGE Brc1cc([C@H](Br)CC23CC4CC(CC(C4)C2)C3)sc1Br 128290611 QIORESIAKDWVHR-USXFBYMISA-N 483.107 7.316 50 10 JKGE Clc1cccc(CO[C@@H](CI)c2ccc(Br)cc2)c1 162431564 OUXFFEDAFIYSDC-HNNXBMFYSA-N 451.529 5.795 50 10 JKGE CCCOc1ccc(-c2nn(-c3ccccc3)cc2/C=C2\C(=O)N(C(C)C)C(=O)C(C#N)=C2C)cc1C 214248012 NDOHQMNKPJUYPO-XYGWBWBKSA-N 494.595 5.637 50 10 JKGE COc1cc(C)c(Br)cc1[C@H](Br)c1ccc(Cl)cc1Br 234805635 NWDHCSAHKLMGAE-OAHLLOKOSA-N 483.425 6.666 50 10 JKGE Cc1sc([C@@H](Br)c2cc(Cl)cc(Br)c2)cc1Br 235971234 CFTYUPCWVBNEFM-LBPRGKRZSA-N 459.428 6.719 50 10 JKGE Oc1cccc(COc2c(Br)cc(CBr)cc2Br)c1 236563770 DBJCTNPEFRHABJ-UHFFFAOYSA-N 450.952 5.391 50 10 JKGE O=C(CSC1c2ccccc2-c2ccccc21)NN=Cc1ccc(OC(=O)c2ccccc2)cc1 254438656 CDFISHZJMCYBDV-UHFFFAOYSA-N 478.573 5.859 50 10 JKGE O=C(NN=Cc1ccccc1Br)c1ccc(COc2cccc3cccnc23)cc1 254487004 WXJADEKZCNGXDW-UHFFFAOYSA-N 460.331 5.340 50 10 JKGE COc1ccc(/C=C/C(=O)Oc2ccc(C=NNC(=O)COc3ccc(C(C)(C)C)cc3)cc2)cc1 254833765 MFQAQPOAZKVSHM-YSVGZUDPSA-N 486.568 5.141 50 10 JKGE BrCc1cc(Br)ccc1N1C[C@H]2CCN(Cc3ccccc3)C[C@@H]2C1 311182681 ZLGHXFKTFQNHSQ-IEBWSBKVSA-N 464.245 5.302 50 10 JKGE COc1ccc(Br)cc1COc1cccc(CBr)c1Br 315772568 VMDQQVMMKGUMNQ-UHFFFAOYSA-N 464.979 5.694 50 10 JKGE CC(C)Oc1cccc2c1nc(CCl)n2CCCN(Cc1ccccc1)Cc1ccccc1 390480447 LCILWVFBGTUHGM-UHFFFAOYSA-N 462.037 6.655 50 10 JKGE Fc1cc(F)c(F)c([C@@H](Br)c2sccc2I)c1F 395822657 QNTPDQLRXYOCQR-MRVPVSSYSA-N 451.020 5.393 50 10 JKGE CC(C)[C@@H](CN(C)Cc1ccccc1)n1c(CCl)nc2cc(F)c(Br)cc21 397962095 FJBIZUQIDBIDMT-HXUWFJFHSA-N 452.799 6.006 50 10 JKGE Cc1cc(Br)c([C@@H](Br)[C@H](C)CC(F)(F)F)cc1Br 402510682 IPZCFGPULXYPFK-HQJQHLMTSA-N 452.934 6.545 50 10 JKGE C[C@@]1(n2c(CCCl)nc3cc(F)c(Br)cc32)CCN(Cc2ccccc2)C1 405952206 HBPHAXWCMBARNH-OAQYLSRUSA-N 450.783 5.340 50 10 JKGE C[C@@H](Cl)c1nc2cc(I)ccc2n1[C@]1(C)CCN(Cc2ccccc2)C1 405986383 SQXUVCQGEASDGK-QVKFZJNVSA-N 479.793 5.562 50 10 JKGE N#CSc1ccc(NC(=O)c2cccc(NC(=O)NC(c3ccccc3)c3ccccc3)c2)cc1 586628375 KVJMMNAEUMBYNE-UHFFFAOYSA-N 478.577 6.423 50 10 JKGE CC(C)(C)[Si](C)(C)OCCc1cccc([C@@H]2CN(CCO[Si](C)(C)C(C)(C)C)CCCO2)c1 616680078 MPWKBTAKCGPGJA-VWLOTQADSA-N 493.881 7.036 50 10 JKGE Cc1cc(C=NNC(=O)C(=O)Nc2cccc(Cl)c2)c(C)n1-c1cc(Cl)ccc1Cl 725393120 PPLYWXKNHOHXOC-UHFFFAOYSA-N 463.752 5.143 50 10 JKGE CCCCCOc1ccc(/C=C(\C#N)C(=O)Nc2ncc(Cc3ccc(C)c(Cl)c3)s2)cc1 1081127831 UIOXIWSTTBBMKQ-FYJGNVAPSA-N 480.033 6.810 50 10 JKGE O=C(NN=Cc1ccccc1Oc1ccc(C(F)(F)F)cc1[N+](=O)[O-])c1ccccc1[N+](=O)[O-] 1083947114 MJIOAONGDZHXDJ-UHFFFAOYSA-N 474.351 5.078 50 10 JKGE CO[C@@H](C(=O)NN=Cc1c(Br)c(C)n(-c2cccc(C)c2)c1C)c1ccccc1 1084134741 HXTRQVFJELWHGD-JOCHJYFZSA-N 454.368 5.003 50 10 JKGE N#C/C(=C\c1cn(Cc2ccc3ccccc3c2)c2ccccc12)C(=O)Nc1cccc(Cl)c1Cl 1084169214 KXKPFUYBGIBYDF-PXLXIMEGSA-N 496.397 7.695 50 10 JKGE Cc1ccc(-n2c(C)c(Br)c(C=NNC(=O)COc3ccccc3)c2C)cc1C 1084332299 TZCGUCKNPPHREW-UHFFFAOYSA-N 454.368 5.003 50 10 JKGE Cc1ccccc1C(=O)NN=C1CCCc2oc(C(=O)Nc3cc(Cl)ccc3Cl)c(C)c21 1772743442 APYKRBWXCGEELP-UHFFFAOYSA-N 470.356 5.926 50 10 JKGE C=CCOc1ccccc1[C@@H]1C(C#N)=C(N)Oc2c1c(CCC)nn2Cc1ccc(Cl)cc1 1865691664 YBCJCQYJVYXYLI-HSZRJFAPSA-N 460.965 5.320 50 10 JKGE CCCCOc1ccc([C@@H]2C(C#N)=C(N)Oc3c2c(CCC)nn3-c2cccc(Cl)c2)cc1 1865693604 XFIOKIPUAOSNMJ-HSZRJFAPSA-N 462.981 5.875 50 10 JKGE CCCOc1ccccc1[C@@H]1C(C#N)=C(N)Oc2c1c(-c1ccccc1)nn2Cc1ccc(C)cc1 1865702565 BNVHDDUWBLONGA-AREMUKBSSA-N 476.580 5.914 50 10 JKGE CCc1nn(-c2ccc(Br)cc2)c2c1[C@H](c1ccccc1OC(C)C)C(C#N)=C(N)O2 1865705209 OSDUSYWZAKXFCU-OAQYLSRUSA-N 479.378 5.203 50 10 JKGE N#CC1=C(N)Oc2c(c(-c3ccccc3)nn2-c2ccccn2)[C@@H]1c1cccc(OCc2ccccc2)c1 1865711778 HUBAWVXXYQCWLF-HHHXNRCGSA-N 497.558 5.731 50 10 JKGE N#CC1=C(N)Oc2c(c(-c3ccccc3)nn2-c2ccc(Cl)cc2)[C@@H]1c1ccc(O)c([N+](=O)[O-])c1 1865714147 DWWBIGFFPPGTEJ-OAQYLSRUSA-N 485.887 5.025 50 10 JKGE C[C@@H](CC(=O)N[C@H](C(=O)Nc1ccc(SC#N)cc1)c1ccccc1)c1ccc(Cl)cc1 1866716948 YWYNOLVMENLVNG-XDHUDOTRSA-N 463.990 5.903 50 10 JKGE CC(C)[C@@H](C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)Nc1ccc(SC#N)cc1)c1ccc(F)cc1 1866966769 CRXNAHVTEFYSKD-LOSJGSFVSA-N 491.588 5.210 50 10 JKGE CCC[C@@H](NC(=O)[C@H](c1ccc(OC)cc1)C1CCCC1)C(=O)Nc1ccc(SC#N)cc1 1867011575 MZXQSJXXXRUQOJ-RPWUZVMVSA-N 465.619 5.466 50 10 JKGE CC(C)C[C@H](CC(=O)N[C@@H](C(=O)Nc1ccc(SC#N)cc1)c1ccccc1)c1ccc(F)cc1 1867104581 PGCSXODFJQXCBB-AJTFRIOCSA-N 489.616 6.415 50 10 JKGE CCc1ccc(-c2nc(CC(=O)N[C@@](C)(CC)C(=O)Nc3ccc(SC#N)cc3)c(C)o2)cc1 1867180778 WNURCBXTQWKERE-SANMLTNESA-N 476.602 5.252 50 10 JKGE COCCN1[C@@H](C)CN(c2cc(Nc3ccc(SC#N)cc3)nc(-c3ccc(F)cc3)n2)C[C@@H]1C 1868456434 OMURLIODHRFQDJ-OALUTQOASA-N 492.624 5.145 50 10 JKGE CCOc1cc(/C=C(\C#N)c2nc3ccccc3n2C)ccc1OCc1ccc(Br)cc1 1872726851 QZXZENJLZDUIGK-XSFVSMFZSA-N 488.385 6.378 50 10 JKGE COc1cc(/C=C/C(O)=C(\C#N)c2nc(-c3ccc([N+](=O)[O-])cc3)cs2)ccc1OC(C)=O 1872747198 RMTFFDWPWHQXJM-CQTCFKAPSA-N 463.471 5.158 50 10 JKGE COc1ccc(OC/C(O)=C(\C#N)c2nc(-c3ccc4c(c3)OCCO4)cs2)c(C(C)(C)C)c1 1872750283 ABFAUTSYPXEVQZ-UZYVYHOESA-N 478.570 5.759 50 10 JKGE CCOc1cc(/C=C(\C#N)c2nc(-c3ccc(CC)cc3)cs2)ccc1OCc1ccccc1C 1872781428 GEKMMTJFAKIJMB-WGOQTCKBSA-N 480.633 7.723 50 10 JKGE CCOc1ccc(-c2csc(/C(C#N)=C/c3cc(OC)c(OC)cc3OC)n2)c(OCC)c1 1872794055 IEEAWDCCNMNNBO-LICLKQGHSA-N 466.559 5.697 50 10 JKGE CCCOc1ccc(-c2csc(/C(C#N)=C(O)/C=C/c3ccc(C)cc3)n2)cc1OCCC 1872817878 BCSQMPFFGZALEE-HYGMHYJRSA-N 460.599 7.202 50 10 JKGE C[C@@H](Oc1ccc(Cl)cc1Cl)/C(O)=C(\C#N)c1nc(-c2ccc(F)cc2F)cs1 1872818223 SMHFQKCYPIXXRN-OIURLTOFSA-N 453.297 6.655 50 10 JKGE CC[C@@H](C)N1C(=O)c2ccc(/C(O)=C(\C#N)c3nc(-c4cc(OC)ccc4OC)cs3)cc2C1=O 1873921290 ZZTCESIQLGAHKR-LFAMDWDUSA-N 489.553 5.172 50 10 JKGE COc1ccc([C@@H](Br)c2c(C)nsc2Br)c(Br)c1 1912971822 CPMXFBRWFJRMLX-LLVKDONJSA-N 455.997 5.469 50 10 JKGE C[C@H](CCl)N(Cc1ccccc1)c1ncc(C(F)(F)F)cc1I 1914338145 VOKJHGICQJEPBF-LLVKDONJSA-N 454.661 5.339 50 10 JKGE Cc1c(Br)sc([C@@H](Br)C[C@@H](C)CC(C)(C)C)c1Br 1922954236 MCAOEAFLYOHMMD-SCZZXKLOSA-N 461.101 7.480 50 10 JKGE Cc1cccc([C@H](Br)c2sc(Br)c(C)c2Br)c1Cl 1922954487 OTSUPQIGRGADEC-JTQLQIEISA-N 473.455 7.028 50 10 JKGE Fc1ccc(Cl)c([C@@H](Br)c2c(Br)sc(Br)c2Cl)c1 1923055757 YLRMDASVVKVAKM-MRVPVSSYSA-N 497.836 7.203 50 10 JKGE CCCCCC[C@H](Cl)c1c(Br)sc(Br)c1Br 1924579127 AIKYIGXCLMYSFC-ZETCQYMHSA-N 453.465 7.286 50 10 JKGE CCCC(CCC)[C@H](Cl)c1c(Br)sc(Br)c1Br 1924584364 WXBRZKBTQAZHCI-JTQLQIEISA-N 467.492 7.532 50 10 JKGE Clc1cc(Br)c([C@@H](Br)c2sncc2Br)s1 1933601257 ZAKZMHWLFXIADC-ZCFIWIBFSA-N 452.418 5.867 50 10 JKGE CCN(C[C@](C)(CI)O[C@@H]1CC[C@@H](C)C[C@H]1C)C(=O)OC(C)(C)C 1947111263 BTRXXVHRQPFPJM-NNFUDEMPSA-N 453.405 5.278 50 10 JKGE CN(Cc1cc(Br)ccc1Cl)C[C@@H](Br)COCc1ccccc1 1979519102 BVMXZHDLYOSWLV-QGZVFWFLSA-N 461.625 5.515 50 10 JKGE Brc1ccc([C@H](Br)Cc2nccs2)c(I)c1 1995286823 YYSVCFPFNLGKMQ-SECBINFHSA-N 472.971 5.189 50 10 JKGE Cc1c([C@H](Cl)c2cc(Br)c(Br)s2)nn(C)c1Br 2002829244 LLBJPHYJTUJQHX-SSDOTTSWSA-N 463.420 5.406 50 10 JKGE CCc1nc([C@@H](Br)c2cc(Br)sc2C)c(Br)s1 2003570725 VAOQASSHYOMLJJ-VIFPVBQESA-N 460.054 6.085 50 10 JKGE COc1ccc([C@@H](Br)c2nc(C)sc2Br)cc1Br 2050330283 BBOGFLLVGAIKLO-SNVBAGLBSA-N 455.997 5.469 50 10 JKGE Brc1cc([C@@H](Br)[C@H]2CCCCC23CCC3)c(Br)s1 2053370810 KKBOSYSKAVYXQD-ZYHUDNBSSA-N 457.069 7.070 50 10 JKGE CC(C)[C@@H](C)N(Cc1ccccc1)S(=O)(=O)c1ccc(Br)c(CBr)c1 2059389907 IEFZWZFYAVMVPF-OAHLLOKOSA-N 489.273 5.579 50 10 JKGE CCCCCc1ccc([C@H](Br)c2cc(I)sn2)s1 2076629008 WCJFWMVRFRQRQB-CYBMUJFWSA-N 456.212 6.026 50 10 JKGE Cc1sc(Br)c([C@H](Br)c2cc(Br)ccc2Cl)c1C 2082886796 YVJVIOAJUADWFX-GFCCVEGCSA-N 473.455 7.028 50 10 JKGE COc1ccc([C@H](Cl)c2cccc(Br)c2Br)cc1Br 2092328200 JGPXFERHSWYSDS-AWEZNQCLSA-N 469.398 6.311 50 10 JKGE O=C(c1cc(Br)c(Br)s1)N1CC2(CCC2)C[C@H]1CBr 2095171665 WYIOFYILXGIOTL-QMMMGPOBSA-N 472.040 5.053 50 10 JKGE COc1ccc(C)c([C@@H](Br)c2c(Br)sc(Br)c2Cl)c1 2109589963 BVEQCXHTPCQPHK-SNVBAGLBSA-N 489.454 6.728 50 10 JKGE FC(F)(F)C1([C@H](Br)c2c(Cl)sc(Br)c2Cl)CCCC1 2116579503 HSEQBAOFXALGTM-SSDOTTSWSA-N 460.968 7.376 50 10 JKGE ClCCCCc1cn(-c2c(Br)cc(Br)cc2Br)nn1 2116797517 JNILVMIIRIQAGN-UHFFFAOYSA-N 472.406 5.116 50 10 JKGE Clc1ccc(I)c(C[C@H]2C[C@H](Br)CC3(CCC3)C2)c1 2127185509 GJGHTZITJZULAW-AAEUAGOBSA-N 453.589 6.221 50 10 JKGE CC1CCC(CI)(OCc2cc(Cl)ccc2Br)CC1 2135983922 QAUFUGAJCKWHDB-UHFFFAOYSA-N 457.577 6.003 50 10 JKGE CO[C@@H]1C[C@]2([C@@H](Br)c3c(C)c(Br)cc(C)c3Br)C[C@H]12 2136371722 PXZYFMWLZZQVEQ-CJIMWGSBSA-N 453.012 5.689 50 10 JKGE Cc1cc(Br)c(C)c([C@H](Br)[C@H]2C[C@@H]2C2CCC2)c1Br 2136382587 UDCLCCXIXXEDTG-BFQNTYOBSA-N 451.040 6.701 50 10 JKGE Cc1ccc(F)c([C@H](Br)c2ccc(Br)c(C)c2Br)c1 2138875284 DKUQENIAXVSKKA-OAHLLOKOSA-N 450.971 6.452 50 10 JKGE COc1c(Br)cc(C)cc1[C@H](Br)c1ccc(OCc2ccccc2)cc1 2139004899 AEMBTCJVTLBHJG-OAQYLSRUSA-N 476.208 6.829 50 10 JKGE Br[C@H](c1ccc(-c2ccccc2)s1)c1sccc1I 2141206128 KTZAALBMRUWMSY-CQSZACIVSA-N 461.187 6.566 50 10 JKGE BrCc1cc(Br)ccc1N1CCc2sc(Br)cc2C1 2141425292 CXQFSMBJCAQBJM-UHFFFAOYSA-N 466.036 5.731 50 10 JKGE COc1ccc([C@@H](Br)c2ccc(I)c(C)c2)cc1Br 2142141757 YNWSQOLHTIABDI-HNNXBMFYSA-N 495.980 5.855 50 10 JKGE CCCC[C@H](C)CC[C@@H](Br)c1ccc(Br)c(C)c1Br 2142172135 TUNPGHQMGVCPGX-XHDPSFHLSA-N 455.072 7.563 50 10 JKGE Clc1cc(CN2C[C@H](Br)CC3(CCC3)C2)ccc1I 2142949640 LKEKCFDBOIHNES-GFCCVEGCSA-N 454.577 5.084 50 10 JKGE CCOc1ccc([C@@H](Cl)Cc2ccccc2I)c(Br)c1 2143868806 SASZIWZGPJPRNR-HNNXBMFYSA-N 465.556 5.975 50 10 JKGE Fc1c(Br)cccc1[C@@H](Br)c1cc(Br)c2c(c1)CCO2 2146629777 TXPZRWVQUIAHMJ-ZDUSSCGKSA-N 464.954 5.770 50 10 JKGE CC[C@](C)(Cn1c(CCl)nc2c(Br)cc(F)cc21)N(C)Cc1ccccc1 2155095508 UEBCMICZTDXMHE-OAQYLSRUSA-N 452.799 5.977 50 10 JKGE BrCc1cc(Br)ccc1N1CCC[C@]2(CCCN(Cc3ccccc3)C2)C1 2163308831 XHLBDCZSPQYRKZ-QHCPKHFHSA-N 492.299 6.227 50 10 JKGE BrCC1(Cc2cc(Br)ccc2Br)CC2(CCCCC2)C1 2175149535 JYOYLPLNEMQEOX-UHFFFAOYSA-N 465.067 6.880 50 10 JKGE Br[C@@H](c1ccc(C2CCCCC2)cc1)c1cc(I)sn1 2176535456 AJGRXMAJHPALLZ-INIZCTEOSA-N 462.194 6.280 50 10 JKGE CCc1ccc(S(=O)(=O)N(Cc2ccccc2)[C@H](C)C(C)(C)C)cc1CBr 2179859587 GMRWFIDXFVSMLV-QGZVFWFLSA-N 452.458 5.769 50 10 JKGE Cc1cc(Br)c(C)c([C@@H](Cl)c2c(Cl)cccc2Cl)c1Br 2201078195 NLIZKIUNKIHFRD-OAHLLOKOSA-N 457.420 7.463 50 10 JKGE Brc1ccc([C@H](Br)[C@H]2COc3ccccc3O2)c(Br)c1 2203684444 HCHYHQUFGXZLCB-CABCVRRESA-N 462.963 5.488 50 10 JKGE Cc1c(Br)ccc([C@@H](Br)c2ccc3c(c2)COC3)c1Br 2203689099 XHZXVGDRAIJOQV-INIZCTEOSA-N 460.991 6.035 50 10 JKGE Cl[C@H](c1ccc2c(c1)CCCO2)c1ccc(Br)cc1I 2207270844 DOXMEVJKFJVKBB-MRXNPFEDSA-N 463.540 5.707 50 10 JKGE Cc1cc(Br)c([C@@H](Br)c2ccc(Br)o2)c(C)c1Cl 2217613063 LATIDBQTLXGSTD-LBPRGKRZSA-N 457.387 6.559 50 10 JKGE Cc1csc([C@@H](Cl)c2cc(Br)c(Br)cc2F)c1Br 2218595802 ATNNTYGQDQTUDA-NSHDSACASA-N 477.418 6.811 50 10 JKGE Cc1c(F)ccc([C@H](Br)c2scc(Br)c2Br)c1F 2223277033 USQTVHMAFMHCBP-VIFPVBQESA-N 460.963 6.344 50 10 JKGE COC12CCC([C@@H](Br)c3cc(Br)ccc3Br)(CC1)C2 2231593679 FUBCTLFICNTCGT-NFOMZHRRSA-N 453.012 5.997 50 10 JKGE CCOCc1cc(Br)c([C@@H](Cl)c2nc(CC)sc2Br)s1 2233020958 LTZJSSDRNCUIQT-JTQLQIEISA-N 459.656 6.157 50 10 JKGE Cc1ccc(C[C@@H](Br)c2c(Br)cc(C)c(Br)c2C)cc1 2235606637 WUADTWJGKTYLSK-OAHLLOKOSA-N 461.035 6.816 50 10 JKGE Cc1cc(Br)c(CN(C)c2cc(Br)cc(F)c2CBr)s1 2237721116 RRULGTCHQZRODP-UHFFFAOYSA-N 486.042 6.252 50 10 JKGE CC(C)(C)OC(=O)N1CCC[C@@](CI)(OCc2ccc(C(F)(F)F)cc2)C1 2239618034 LXYHPBJHCPIDSF-SFHVURJKSA-N 499.311 5.427 50 10 JKGE O=C(c1cc(F)c(Br)cc1Cl)N(Cc1ccccc1)C1(CBr)CCC1 2256018278 XWFZPHVERIVEDP-UHFFFAOYSA-N 489.610 6.202 50 10 JKGE CCCCc1ccc([C@@H](Br)c2cc(Br)cc(Br)c2)s1 2264369633 YNZUREIKBKHOLP-HNNXBMFYSA-N 467.064 7.100 50 10 JKGE Cc1cc(C(F)(F)F)sc1C(=O)N(C)C[C@H](Br)COCc1ccccc1 2277662772 AIVQFTMVOXXSCU-AWEZNQCLSA-N 450.320 5.128 50 10 JKGE Cc1c(Br)sc([C@H](Cl)Cc2cc(Br)cc(Br)c2)c1C 2277889712 AKQPYAGTUMTJKN-GFCCVEGCSA-N 487.482 7.175 50 10 JKGE CC1(C)CCCC[C@H]1[C@H](Br)Cc1cc(Br)cc(Br)c1 2277962427 HLKXVAHVSVQNSL-LSDHHAIUSA-N 453.056 6.734 50 10 JKGE Cc1cc(Br)c([C@H](Br)c2ccc(Br)c(Cl)c2)c(C)c1F 2279146929 PBIFLBIAHOFIKT-CQSZACIVSA-N 485.416 7.105 50 10 JKGE CCCCOc1ccc(C=C(C#N)C(=O)Nc2ncc(Cc3cccc(Cl)c3)s2)cc1OC 2293038567 MBMNCIFODPLMNF-UHFFFAOYSA-N 482.005 6.120 50 10 JKGE COc1ccc(C(C#N)=Cc2cc(Cl)c(OCCOc3ccc(C)cc3)c(OC)c2)cc1OC 2293689699 SPTFVFHUNRAXBU-UHFFFAOYSA-N 479.960 6.196 50 10 JKGE FC[C@@]12CC[C@@]([C@@H](Br)Cc3cc(Br)cc(Br)c3)(CO1)C2 2295332958 DJHLXADHQGKYRH-KKUMJFAQSA-N 471.002 5.426 50 10 JKGE CN(C)c1ccc(C=C(C#N)c2nc(-c3cccs3)c(NC(=O)c3ccc(Cl)cc3)s2)cc1 2296727505 IYEHDZBBKUZUMH-UHFFFAOYSA-N 491.041 6.907 50 10 JKGE Cc1ccccc1CSC(Nc1cccc(Cl)c1C)=C(C#N)S(=O)(=O)c1ccccc1 2297349949 FZVTZZRKXVUMFT-UHFFFAOYSA-N 469.031 6.469 50 10 JKGE Cc1cc(C)cc(NC(SCc2c(F)cccc2Cl)=C(C#N)S(=O)(=O)c2ccccc2)c1 2297350083 UCBYYMKJBAMCQQ-UHFFFAOYSA-N 487.021 6.608 50 10 JKGE Brc1cc(OCc2ccccc2)ccc1[C@H](Br)C12COCC(C1)C2 2299498172 UAXRIADSODHJSC-YHDJDMAPSA-N 452.186 5.891 50 10 JKGE CC1(C)CC(C[C@H](Br)c2ccc(OCc3ccccc3)cc2Br)C1 2299530191 JWTAAZWVJPNFKK-IBGZPJMESA-N 452.230 7.290 50 10 JKGE Cn1cnc(Br)c1[C@H](Br)c1cc(Br)ccc1Br 2300296009 GXCZOVSYLNTECE-SECBINFHSA-N 487.815 5.192 50 10 JKGE CC(C)(C)OC(=O)N1C[C@@H](I)[C@H](OC[C@@H]2C[C@H]2C2CCCCCC2)C1 2311651243 KAGKVPIKJTURKY-WNRNVDISSA-N 463.400 5.032 50 10 JKGE Brc1cc(OCc2ccccc2)ccc1[C@@H](Br)[C@@]12CCC[C@@H](C1)OC2 2314488025 IFQAOFVYABIWES-WMQCIHAUSA-N 466.213 6.423 50 10 JKGE N#CC(=Cc1ccc(-c2ccc([N+](=O)[O-])cc2Cl)o1)C(=O)Nc1cccc(C(F)(F)F)c1 2314571141 BSNMSIDWDVYTSJ-UHFFFAOYSA-N 461.783 6.073 50 10 JKGE CC1=C(C#N)C(=O)N(Cc2ccc3c(c2)OCO3)C(=O)C1=Cc1ccc(-c2ccc(Cl)cc2)o1 2314616990 ONHSPXGYAZAQBH-UHFFFAOYSA-N 472.884 5.121 50 10 JKGE CCCCCCOc1ccc(C=C2C(=O)N([C@@H](C)c3ccccc3)C(=O)C(C#N)=C2C)cc1OC 2314618101 HILOEDASXYHJPJ-NRFANRHFSA-N 472.585 6.008 50 10 JKGE CC(C)(C)OC1CC([C@@H](Br)c2sc(Cl)cc2I)C1 2316778292 VMTFXVUHTJHOIN-OIAXGBPSSA-N 463.606 6.036 50 10 JKGE C[C@@H]1CCc2c(sc3ncnc(SCC(=O)C(C#N)=C4Nc5ccccc5S4)c23)C1 2320729529 BYXYQKIGOWMSSL-GFCCVEGCSA-N 450.614 5.430 50 10 JKGE CCOc1ccc(C=CC(O)=C(C#N)c2nc(-c3cccc(Br)c3)cs2)cc1OC 2331278855 OTFVTBOLOVWQQG-UHFFFAOYSA-N 483.387 6.486 50 10 JKGE CC(C)[C@H](C(O)=C(C#N)c1nc(-c2ccc(F)cc2F)cs1)N1C(=O)c2ccccc2C1=O 2331286569 LBFLBAYPVWNDKA-HXUWFJFHSA-N 465.481 5.202 50 10 JKGE CCCOc1ccc(-c2csc(C(C#N)=C(O)[C@@H](C)N3C(=O)c4ccccc4C3=O)n2)cc1 2331318555 ZAFWALOMSZDSPJ-OAHLLOKOSA-N 459.527 5.076 50 10 JKGE Cc1cc(-c2csc(C(C#N)=C(O)c3ccc4c(c3)C(=O)N(C3CCCCC3)C4=O)n2)ccc1F 2331320518 ZRXMRBKLWINXNI-UHFFFAOYSA-N 487.556 6.136 50 10 JKGE COc1ccc(C)cc1-c1csc(C(C#N)=C(O)CCCOc2ccc(C(C)(C)C)cc2)n1 2331323682 UPILSAALSGCDMB-UHFFFAOYSA-N 462.615 7.077 50 10 JKGE CCc1cccc(CC)c1N1C(=O)c2ccc(C(O)=C(C#N)c3nc(C(C)C)cs3)cc2C1=O 2331328757 IMIGKLNJRZTQAH-UHFFFAOYSA-N 471.582 6.142 50 10 JKGE CCOc1cc(C=C(C#N)c2nc(-c3cc(C)cc(C)c3OC)cs2)ccc1OCc1ccccc1 2331469893 HQEQUWCENLGRRL-UHFFFAOYSA-N 496.632 7.477 50 10 JKGE CCC1(C)CC([C@@H](Br)c2c(Cl)cc(Br)c(F)c2Br)C1 2337113401 XREKIUAFHYKXFA-MIJJTYSQSA-N 477.437 7.266 50 10 JKGE Cc1cc(Br)c(F)c(Br)c1[C@H](Cl)c1cc(Br)c(C)s1 2339639476 MOOBVURDDNEFQY-GFCCVEGCSA-N 491.445 7.120 50 10 JKGE Cc1cc(Br)c(F)c(Br)c1[C@@H](Br)C[C@@H]1C[C@H]1C1CC1 2339645560 JDWGEKGXUUWEHM-DCAQKATOSA-N 455.003 6.531 50 10 JKGE CCCc1sc(Br)cc1[C@@H](Br)Cc1c(Cl)cccc1Cl 2363264181 CYRQOBJVYIVIAI-NSHDSACASA-N 457.058 7.449 50 10 JKGE Cc1cc(Br)c([C@H](Br)[C@H]2COC3(CCC3)CO2)cc1Br 2364135922 QKGXUTOELLKUFC-KGLIPLIRSA-N 469.011 5.294 50 10 JKGE Cc1cc(Br)c(F)c(Br)c1[C@H](Br)c1ccc(Cl)c(F)c1 2365215755 NGCPHKJEWAIUCF-GFCCVEGCSA-N 489.379 6.936 50 10 JKGE COc1cc(Cl)c(CBr)c(N(C)C[C@H]2CCCN(Cc3ccccc3)C2)c1 2365804563 WDLLYRMGHVNILI-GOSISDBHSA-N 451.836 5.592 50 10 JKGE Cc1ccc(NC(=O)COc2ccc(/C=C(\C#N)c3ccc(C(=O)O)cc3)cc2Br)cc1 15013844 IFXWMDZZTGWTRH-UDWIEESQSA-N 491.341 5.537 50 10 JKGE CC/C(=N\NC(=O)COc1ccc(Br)cc1OC)c1ccc(-c2ccccc2)cc1 20074904 CRWFGSVALRYBHB-YYADALCUSA-N 467.363 5.434 50 10 JKGE N#C/C(=C/c1ccccc1I)c1nc(-c2ccc3c(c2)OCO3)cs1 33398861 WKUQDQNEHZIQBL-AUWJEWJLSA-N 458.280 5.208 50 10 JKGE CCOC(=O)/C(C#N)=C1/S[C@H](Cc2cc(Cl)ccc2Cl)C(=O)N1c1ccc(F)cc1 34890908 YCHRCQNRSWEONM-RILMWAFASA-N 465.333 5.122 50 10 JKGE CCOc1cccc(C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@@H]3c2ccc(C(C)C)cc2)c1 38649601 ZNZXBRGOUUHFNG-AREMUKBSSA-N 454.526 5.646 50 10 JKGE COc1cccc(C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@@H]3c2c(Cl)cccc2Cl)c1 38679505 YCMMPSUPIKROMP-OAQYLSRUSA-N 467.308 5.439 50 10 JKGE CCOc1ccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4ccc(OC)c(Cl)c4)ccc32)cc1 38701419 YNGXSZJXUAREPQ-XMMPIXPASA-N 476.916 5.185 50 10 JKGE CCCCCOc1ccc(/C=N/NC(=O)Nc2sc3c(c2C(=O)OCC)CCCC3)cc1OC 40846973 LFVWCSDYGUNITI-WGOQTCKBSA-N 487.622 5.537 50 10 JKGE CCCCCCOc1ccc(/C=C(\C#N)C(=O)Nc2ccc(C(=O)OCC)cc2)cc1OC 40853592 FSGXRNAKEKPULU-LTGZKZEYSA-N 450.535 5.377 50 10 JKGE Cc1ccc(C(=O)Oc2cccc(/C=C(/C#N)C(=O)Nc3cccc(Cl)c3Cl)c2)cc1 59117329 XYZQDIISYOZJBN-PDGQHHTCSA-N 451.309 6.067 50 10 JKGE COc1ccc([N+](=O)[O-])cc1NC(=O)/C(C#N)=C\c1ccc(-c2cc(Cl)ccc2Cl)o1 96501409 DPNKJKPFOBYXKR-WQLSENKSSA-N 458.257 5.716 50 10 JKGE N#C/C(=C/Nc1ccccc1Cl)c1nc(-c2cc3cc(Br)ccc3oc2=O)cs1 100392108 SABAJMVNGFZEBA-RAXLEYEMSA-N 484.762 6.309 50 10 JKGE Cc1ccccc1C(=O)NNc1ncnc(Nc2ccc(/N=N/c3ccccc3)cc2)c1[N+](=O)[O-] 101486385 APNYVFDYWCQCAX-ZQHSETAFSA-N 468.477 5.609 50 10 JKGE Cc1c(P(=O)(c2c(C)n(C)c3ccccc23)c2c(C)n(C)c3ccccc23)c2ccccc2n1C 105391772 DPNBLBZQBFCTNF-UHFFFAOYSA-N 479.564 5.726 50 10 JKGE Cl[C@@H](c1cccc(I)c1)c1cc(Br)c(Br)s1 128104461 UDIQTESFEMRNKQ-JTQLQIEISA-N 492.401 6.206 50 10 JKGE Cc1cc(Br)c([C@@H](Br)Cc2ccccc2Cl)cc1Br 128838988 WNJAOHPRQOKGLB-AWEZNQCLSA-N 467.426 6.852 50 10 JKGE COc1cc([N+](=O)[O-])ccc1NC(=O)/C(C#N)=C\Nc1cc(C(F)(F)F)cc(C(F)(F)F)c1 217230950 RTYFEYRBXXGCJR-KTKRTIGZSA-N 474.317 5.099 50 10 JKGE Fc1ccc([C@@H](Br)c2cccc(Br)c2Cl)cc1Br 228453790 WADIODNEVYFCPZ-GFCCVEGCSA-N 457.362 6.488 50 10 JKGE C[C@@H]1Cc2cc([C@H](Br)c3ccc(I)c(Cl)c3)ccc2O1 232343499 UWNHXJZGOVMDOS-ABKXIKBNSA-N 463.540 5.752 50 10 JKGE O=C1Cc2cc([C@@H](Br)c3cc(Br)cc(Br)c3)ccc2N1 232453016 PVQKVXWHVFOXQQ-OAHLLOKOSA-N 459.963 5.191 50 10 JKGE COc1ccc([C@@H](Br)c2cc(Cl)ccc2I)cc1OC 234974642 MGTLAQDZSHNGDB-OAHLLOKOSA-N 467.528 5.446 50 10 JKGE Cc1cc(C)c(C)c([C@H](Br)c2cc(Br)cc(Br)c2)c1C 235823271 ROZHPNAPMUPFGP-QGZVFWFLSA-N 461.035 6.930 50 10 JKGE Clc1ccc(I)c([C@H](Cl)c2cc(Cl)c(Br)s2)c1 236038764 PBUGYFBSTXRNNQ-JTQLQIEISA-N 482.395 6.750 50 10 JKGE CCCCOc1cccc(C=NNC(=O)c2cc(-c3ccccc3OC)nc3ccccc23)c1 252624965 PZMXGHGISNEWJB-UHFFFAOYSA-N 453.542 5.853 50 10 JKGE O=C(CCn1c2ccccc2c2ccccc21)NN=C1C(=O)N(Cc2ccccc2)c2ccccc21 254628401 QHWXSACSTALNNB-UHFFFAOYSA-N 472.548 5.252 50 10 JKGE C[C@H](Cl)c1nc2ccncc2n1-c1ccc(I)c(Br)c1 312965542 JXBYGSAXCGITCN-QMMMGPOBSA-N 462.516 5.087 50 10 JKGE Fc1cc2c(cc1Br)nc(CCl)n2C[C@H]1CCCCN1Cc1ccccc1 379614868 ZTDSMHWSUCXJLK-MRXNPFEDSA-N 450.783 5.731 50 10 JKGE Clc1ccc([C@@H]2CN(Cc3ccccc3)C[C@H]2CI)cc1Br 382680810 CGBLXCSLXPJCHS-CVEARBPZSA-N 490.610 5.753 50 10 JKGE Clc1ccc([C@H]2CN(Cc3ccccc3)C[C@H]2CI)c(Br)c1 382684621 DQNWFEPLSIXUIJ-PBHICJAKSA-N 490.610 5.753 50 10 JKGE CC(C)(C)OC(=O)N1C[C@H](c2cc(Br)cc(Br)c2)[C@@H](CCl)C1 382710605 HAAAWHBBFWQABW-SMDDNHRTSA-N 453.602 5.401 50 10 JKGE Cc1cc(F)c([C@H](Br)c2cc(Br)ccc2I)cc1C 395845429 KDQYKBMHZWXVRX-HNNXBMFYSA-N 497.971 6.294 50 10 JKGE Clc1ccc(I)c(C[C@@H](CBr)c2ccccc2Cl)c1 405507075 DONDCDFFFZKSTD-NSHDSACASA-N 469.975 6.319 50 10 JKGE Brc1csc([C@H](Br)c2ccc3c(c2)CCCC3)c1Br 705469560 WNFLOVCNOWNMNU-CYBMUJFWSA-N 465.048 6.636 50 10 JKGE C[C@@H](Cl)c1nc2cc(I)ccc2n1C1CC(OCc2ccccc2)C1 716298313 YLODLMFDYAEKCY-NVPAJSRCSA-N 466.750 5.861 50 10 JKGE BrCc1ccc(N2C[C@H]3C[C@@H](CN(Cc4ccccc4)C3)C2)c(Br)c1 719371485 CFGSRYJDBDQYOD-OALUTQOASA-N 464.245 5.302 50 10 JKGE Brc1cc([C@@H](Br)Cc2ccccn2)ccc1I 721512246 WHRRNAOUHMIMRV-NSHDSACASA-N 466.942 5.127 50 10 JKGE Cc1sc(C)c([C@@H](Cl)c2cc(Br)ccc2I)c1C 722474227 FHBARLYXZYUYMO-AWEZNQCLSA-N 455.586 6.369 50 10 JKGE CC(C)[Si](OCc1ccc(-c2ccc(B3OC(C)(C)C(C)(C)O3)cc2)nc1)(C(C)C)C(C)C 725415004 LSFXOBBGDGAFKH-UHFFFAOYSA-N 467.535 6.740 50 10 JKGE COc1cc(C=NNC(=O)CC23CC4CC(CC(C4)C2)C3)ccc1OC(=O)c1cccs1 886005245 DSJHLOYPVCGKLG-UHFFFAOYSA-N 452.576 5.033 50 10 JKGE COc1cccc(NC(=O)/C(C#N)=C\c2ccc(OC(=O)c3ccc(Cl)cc3Cl)cc2)c1 1084037555 OAXWPZLXHUUBOB-WJDWOHSUSA-N 467.308 5.767 50 10 JKGE COc1cc(C=NNC(=O)c2cc3ccccc3o2)c(Br)cc1OCc1ccccc1F 1084506127 KMYWGXOZIFLKOC-UHFFFAOYSA-N 497.320 5.686 50 10 JKGE Cc1c(C(=O)N(Cc2ccccc2)Cc2ccccc2)oc2c1C(=NNC(=O)c1ccncc1)CCC2 1772746466 VLNKGBJUNNHWED-UHFFFAOYSA-N 492.579 5.296 50 10 JKGE CC(C)(C)c1ccc([C@H]2C(C#N)=C(N)Oc3c2c(C(F)(F)F)nn3Cc2ccccc2Cl)cc1 1865682088 FSURPFLUAJWTBP-IBGZPJMESA-N 486.925 6.119 50 10 JKGE N#CC1=C(N)Oc2c(c(-c3ccccc3)nn2Cc2cccc(F)c2)[C@H]1c1c(Cl)cccc1Cl 1865685987 PAXJBWQGHSTDBP-OAQYLSRUSA-N 491.353 6.262 50 10 JKGE CCCn1nc(-c2ccc(OC)cc2)c2c1OC(N)=C(C#N)[C@@H]2c1cc(Br)ccc1F 1865701694 BYGHMRWGFCONCN-IBGZPJMESA-N 483.341 5.088 50 10 JKGE COc1ccc(-c2nn(-c3ccccc3Cl)c3c2[C@H](c2ccc(F)cc2F)C(C#N)=C(N)O3)cc1 1865702084 MIHXNDGMWXMRGL-JOCHJYFZSA-N 490.897 5.698 50 10 JKGE CCN(CC)c1ccc([C@H]2C(C#N)=C(N)Oc3c2c(-c2ccccc2)nn3-c2ccccc2Cl)cc1 1865702165 OMQMFQWVTLFJDD-VWLOTQADSA-N 496.014 6.257 50 10 JKGE CCc1ccc([C@@H]2C(C#N)=C(N)Oc3c2c(-c2ccccc2)nn3Cc2ccc(F)cc2)cc1 1865709245 RQXXZIKVRPBGDI-XMMPIXPASA-N 450.517 5.518 50 10 JKGE C[C@@H](CC(=O)N[C@H](Cc1ccc(F)cc1)C(=O)Nc1ccc(SC#N)cc1)c1ccc(Cl)cc1 1866709399 AWGPXXTVJYYYSU-BXKMTCNYSA-N 496.007 5.912 50 10 JKGE CCCC[C@H](NC(=O)C[C@H](c1ccc(F)c(C)c1)C(C)C)C(=O)Nc1ccc(SC#N)cc1 1866765653 JZOWJEFQQKLIEA-UPVQGACJSA-N 469.626 6.151 50 10 JKGE CC(C)c1ccc([C@H](C(=O)N[C@@H](Cc2ccccc2)C(=O)Nc2ccc(SC#N)cc2)C(C)C)cc1 1866965298 IGBZGHCVRWBARV-WUFINQPMSA-N 499.680 6.489 50 10 JKGE CC(C)c1nc(Nc2ccc(SC#N)cc2)cc(N2CCC[C@@H]2Cc2ccc(Cl)cc2)n1 1868231553 KHSGDFUSAHZSFJ-OAQYLSRUSA-N 464.038 6.782 50 10 JKGE COc1ccc2c(c1)c(/C=C1\Oc3c(ccc(OCc4cccc(CCl)c4)c3C)C1=O)cn2C 1871437389 VHHZBDMFCHIZLI-ZRGSRPPYSA-N 473.956 6.429 50 10 JKGE N#C/C(=C(/O)CCCOc1ccc(Cl)cc1)c1nc(-c2cccc(Br)c2)cs1 1872746125 TUNBEQCHMRSBKF-ZZEZOPTASA-N 475.795 6.878 50 10 JKGE Cc1ccc(C)c(-c2csc(/C(C#N)=C(\O)c3ccc4c(c3)C(=O)N(Cc3ccco3)C4=O)n2)c1 1872749649 BBZALGVGKUXLBR-GYHWCHFESA-N 481.533 5.766 50 10 JKGE COc1ccc(-c2csc(/C(C#N)=C(\O)[C@@H](C)Oc3ccc(Cl)cc3Cl)n2)c(C)c1C 1872754291 LKTOKRYEYTWWBC-CHOFAJOMSA-N 475.397 7.003 50 10 JKGE CCCOc1ccc(/C=C(\C#N)c2nc(-c3ccc(Cl)c(Cl)c3)cs2)cc1OCC 1872790468 KOXVNWKMORBRAC-LICLKQGHSA-N 459.398 7.369 50 10 JKGE CCCOc1ccc(/C=C(\C#N)c2nc(-c3cc(C)c(Cl)cc3OC)cs2)cc1OCC 1872794385 YOLHKORAXXHQRH-WOJGMQOQSA-N 469.006 7.032 50 10 JKGE Clc1ccc(CC[C@@H](Br)COCc2ccccc2)cc1I 1887438357 KJKCRZWWWKWGFU-OAHLLOKOSA-N 479.583 5.858 50 10 JKGE CC(C)[C@H](CCl)N(Cc1ccccc1)S(=O)(=O)c1c(Cl)cc(Br)cc1Cl 1915272391 XKGLCKDUZGSFHR-KRWDZBQOSA-N 499.685 6.210 50 10 JKGE CC(C)[C@H](CBr)N(Cc1ccccc1)Cc1nn(C)c(Cl)c1Br 1915323511 SIBZOGIQMOTGMU-HNNXBMFYSA-N 463.645 5.258 50 10 JKGE Fc1cc([C@@H](Br)c2sc(Br)cc2Br)c(F)c(F)c1F 1922905545 ABSIYXQVCJJLIA-SSDOTTSWSA-N 482.916 6.314 50 10 JKGE Cc1c(Br)sc([C@H](Br)C2CCC3(CC2)CC3)c1Br 1922907339 SMJOEIXNQREODR-LLVKDONJSA-N 457.069 6.988 50 10 JKGE FC(F)(F)C(F)(F)[C@@H](Br)c1sc(Br)cc1Br 1922929079 FVYIRXHZTKJJFG-YFKPBYRVSA-N 452.862 5.907 50 10 JKGE CCCC[C@H](CC)[C@H](Br)c1c(Br)sc(Br)c1Cl 1923049142 LCKOXFFGGXSHJF-CBAPKCEASA-N 467.492 7.579 50 10 JKGE C[C@H](c1ccncc1Br)[C@H](Br)c1ccc(Br)cc1Cl 1924037731 BNHPNEVUULEGEO-CLAHSXSESA-N 468.414 6.500 50 10 JKGE Cl[C@H](c1cccc2c1CCCC2)c1c(Br)sc(Br)c1Br 1924617115 XVRMRZYZMZRUPZ-CYBMUJFWSA-N 499.493 7.243 50 10 JKGE O=C(Nc1ccc(F)c(CBr)c1)c1cc(Br)cc(Br)c1 1924875525 JNZAWPDIZBERAV-UHFFFAOYSA-N 465.942 5.498 50 10 JKGE Fc1cc(Cl)cc([C@@H](Br)c2c(Cl)sc(Br)c2Cl)c1 1925565425 CIMCBDLOWLMMGY-MRVPVSSYSA-N 453.385 7.094 50 10 JKGE Clc1sc(Cl)c([C@H](Br)Cc2ccccc2I)c1Cl 1925624751 YPTFYDGUMBOWMT-SSDOTTSWSA-N 496.422 6.992 50 10 JKGE COc1ccc([C@@H](Br)c2cscc2OCc2ccccc2)c(Br)c1 1950320032 KKYUQEIFUKWFHA-LJQANCHMSA-N 468.210 6.583 50 10 JKGE CC(C)(C)OC(=O)Nc1ccc(I)c(C(F)(F)CBr)c1 1951685112 NAMOODGEOLYWMI-UHFFFAOYSA-N 462.072 5.125 50 10 JKGE Clc1nc(Cl)n(CC2(N(Cc3ccccc3)Cc3ccccc3)COC2)c1CBr 1962508874 MNEBEQWHJBVOMH-UHFFFAOYSA-N 495.248 5.556 50 10 JKGE CCOc1c(Br)cc(C[C@@H](CCl)NC(=O)OC(C)(C)C)cc1Br 1984037237 QGDDNIYBPSBMQM-NSHDSACASA-N 471.617 5.285 50 10 JKGE FCCC1([C@H](Br)c2c(Br)sc(Br)c2Cl)CC1 1990544637 DEJVAZPGMWHBQG-SSDOTTSWSA-N 455.412 6.502 50 10 JKGE CCc1nc([C@@H](Cl)c2cc(Br)c(Br)s2)c(Br)s1 2003568433 KETDCPHNYZEWNO-ZETCQYMHSA-N 480.472 6.383 50 10 JKGE Cc1nsc(Br)c1[C@H](Cl)c1ccc(Br)cc1Br 2024290302 QCYMWZDNFOSJDX-SNVBAGLBSA-N 460.416 6.067 50 10 JKGE CC(C)(C)[C@@H](CBr)CNC(=O)c1cc(Br)sc1Br 2029719947 MFBMAEBIDBBEEH-ZETCQYMHSA-N 462.045 5.060 50 10 JKGE Cc1sc([C@@H](Cl)c2c(Br)cccc2Br)c(C)c1Br 2033091604 SMQVBGJEWISPEU-LBPRGKRZSA-N 473.455 6.981 50 10 JKGE CCCCCCCCOc1ccc(C=C(C#N)c2nc(O)c3c4c(sc3n2)CCCC4)cc1 2053614515 WLQMYYIJAHZNDU-UHFFFAOYSA-N 461.631 7.079 50 10 JKGE FC(F)(F)CC1([C@@H](Br)c2ccc(Br)cc2Br)CC1 2083331560 ALIWLMFBRVMFIC-JTQLQIEISA-N 450.918 6.380 50 10 JKGE C[C@H]1CCC[C@](CBr)(Cc2c(Br)cccc2Br)CC1 2100846551 XLGZNLMOIJQNLU-BLLLJJGKSA-N 453.056 6.736 50 10 JKGE Brc1cccc(CN2CC[C@H](Br)CC23CCC3)c1Br 2113564309 NHEZAYQKTGRFGO-LBPRGKRZSA-N 452.028 5.494 50 10 JKGE CCC[C@H](Br)c1cn(Cc2ccc(Br)cc2Br)nn1 2121069091 WXBAQSPUXKCTTK-NSHDSACASA-N 451.988 5.088 50 10 JKGE C[C@@H](Br)CCc1cn(-c2c(Br)cc(Cl)cc2Br)nn1 2132758807 XNPDFTDKCJGRIM-SSDOTTSWSA-N 472.406 5.162 50 10 JKGE CO[C@@H]1C[C@H]([C@H](Br)c2c(Br)sc(Br)c2Cl)C12CCC2 2133849649 XXWAOVDWHTVFFK-BHNWBGBOSA-N 493.486 6.568 50 10 JKGE Cc1cc(Cl)c(Br)cc1[C@@H](Br)c1c(C)cccc1Br 2137643568 TUWKOKSGBWACPH-OAHLLOKOSA-N 467.426 6.966 50 10 JKGE COc1cc(F)c([C@@H](Br)c2cccc(Br)c2)cc1Br 2138159978 KDPHXSOLGBJGCF-AWEZNQCLSA-N 452.943 5.844 50 10 JKGE Cc1c(Br)ccc([C@H](Br)[C@@H]2CC[C@@H]3[C@H]2C3(F)F)c1Br 2138869621 BMAWVRWMJQWGQR-JOSRPRKISA-N 458.966 6.247 50 10 JKGE Fc1ccc(CBr)c(OCc2c(Br)cccc2Br)c1 2139773980 MMYBEUTZEVSXNK-UHFFFAOYSA-N 452.943 5.825 50 10 JKGE Clc1cccc(C[C@@H](CBr)Cc2cccc(Br)c2Br)c1 2148749979 FTDCKHZMDOEAID-GFCCVEGCSA-N 481.453 6.661 50 10 JKGE C[C@@H]1C[C@@H](n2c(CCCl)nc3cc(Br)c(Cl)cc32)CN1Cc1ccccc1 2159885947 ONNZTLIPSKAUIZ-GDBMZVCRSA-N 467.238 6.069 50 10 JKGE Clc1cccc(Cl)c1C[C@H](Br)c1cc(C2CC2)c(Br)s1 2161087536 XZGOLQFAKVHBGZ-NSHDSACASA-N 455.042 7.374 50 10 JKGE O=C(c1cc(Br)sc1Br)N1C[C@@H](CBr)C2(CCCC2)C1 2175225413 UHPTXVWDRZMHBM-SECBINFHSA-N 486.067 5.300 50 10 JKGE FC1(F)CCC2(CC1)[C@@H](Oc1cccc(I)c1)C[C@H]2Br 2177597076 YENWOZCMIXXQFW-OLZOCXBDSA-N 457.096 5.402 50 10 JKGE CCn1cc(Br)c(CC(CBr)(CBr)C2CCCCC2)n1 2181151111 OBEZMDISKMKXRN-UHFFFAOYSA-N 471.075 5.565 50 10 JKGE Cc1cc(Br)c(C)c([C@H](Br)c2ccc(Cl)cc2F)c1Br 2201069860 MBZAGQRGUMULLG-OAHLLOKOSA-N 485.416 7.105 50 10 JKGE COc1c(Cl)cc(Br)cc1[C@@H](Br)c1cc(C)cc(Br)c1 2202999609 BUADXQBYHPFRDU-AWEZNQCLSA-N 483.425 6.666 50 10 JKGE Cc1c(Br)ccc([C@@H](Br)c2c(F)cc(F)cc2F)c1Br 2203686305 OREVSSFDDODZDP-CQSZACIVSA-N 472.924 6.422 50 10 JKGE Cc1c(Br)ccc([C@H](Br)c2csc3c2CCCC3)c1Br 2203686890 PTZBKDOMXXNIHV-INIZCTEOSA-N 479.075 6.945 50 10 JKGE Cc1cc(C)c(C)c([C@@H](Br)c2ccc(Br)c(C)c2Br)c1 2203689032 WYHJXIZUQBQWSE-KRWDZBQOSA-N 461.035 6.930 50 10 JKGE C[C@H](CBr)N(Cc1ccccc1)c1ncc(C(F)(F)F)cc1Br 2212715693 QNXGQRLMEFZJPO-LLVKDONJSA-N 452.112 5.653 50 10 JKGE CCCCN(CCCCCI)C[C@H]1CCCN1C(=O)OC(C)(C)C 2214705100 NJAMPFOIZISWMK-QGZVFWFLSA-N 452.421 5.093 50 10 JKGE FC(F)C1CC([C@@H](Cl)c2c(Br)sc(Br)c2Br)C1 2217482874 OBBHENPSVCLTCH-NUWLTMBBSA-N 473.402 6.607 50 10 JKGE C[C@@H]1C[C@@H](C[C@@H](Br)c2c(Br)cc(Cl)c(Cl)c2Cl)CO1 2224301605 BYKWVNZUYHBGQB-GJMOJQLCSA-N 451.413 6.660 50 10 JKGE Cc1nc([C@H](Br)c2c(Br)cc(C)c(Cl)c2C)c(Br)s1 2224324209 UNUBAFNCFACKLG-SNVBAGLBSA-N 488.470 6.731 50 10 JKGE Cc1ccccc1C(CBr)(CBr)Cc1ncsc1Br 2226135029 WAFAJPZVYZHDNC-UHFFFAOYSA-N 468.052 5.484 50 10 JKGE COc1cc(Br)c([C@H](Br)c2cc(C)sc2Br)cc1C 2227734944 PKNQQUDBXSUEMY-ZDUSSCGKSA-N 469.036 6.383 50 10 JKGE Cc1sc([C@H](Br)c2ccc3c(c2Br)CCO3)cc1Br 2229743702 FGIDJAVYDHXFNP-CQSZACIVSA-N 467.020 6.001 50 10 JKGE COc1ccc([C@H](Br)c2cc(C)ccc2I)cc1Cl 2232220057 NFKIANYWODNADM-HNNXBMFYSA-N 451.529 5.746 50 10 JKGE Clc1cc(Br)c([C@H](Br)[C@@H]2C[C@H]3CCCC[C@H]32)c(Cl)c1Cl 2232522531 ZBIZAYBOGUWAAT-WBPNIITGSA-N 461.452 7.672 50 10 JKGE Cc1nn(C)c([C@@H](Br)c2c(F)cc(F)c(Br)c2F)c1Br 2236105882 AGOXNMIDPDTYQN-JTQLQIEISA-N 476.916 5.155 50 10 JKGE COc1cccc(Br)c1[C@@H](Br)Cc1ccc(Br)cc1Cl 2237434647 IKDCYUQFQDKSLH-LBPRGKRZSA-N 483.425 6.552 50 10 JKGE Cc1cc(Br)c([C@@H](Br)c2cocc2Br)c(C)c1Cl 2258148653 OOWQOLATAKVFST-LBPRGKRZSA-N 457.387 6.559 50 10 JKGE CC1(C)C[C@@]1(Cl)[C@H](Br)c1c(F)cc(Br)c(F)c1Br 2260072263 ZTKHZJONCJOCLJ-ZYHUDNBSSA-N 467.373 6.333 50 10 JKGE C=CC[C@]1(CBr)CCN(C(=O)c2cc(Br)sc2Br)C1 2272141470 QLYCISDJMTWZGA-CYBMUJFWSA-N 472.040 5.076 50 10 JKGE CC1CCC([C@@H](Br)c2c(F)cc(Br)c(F)c2Br)CC1 2272739401 MFXNJRVGVHQQSI-WZQIAMPNSA-N 460.982 6.752 50 10 JKGE Brc1cc(Br)cc(C[C@@H](Br)CCC2CCCCC2)c1 2277960376 HAOGJTODPCAPRJ-AWEZNQCLSA-N 453.056 6.878 50 10 JKGE CC[C@@H](Br)[C@H]1CCCCN1C(=O)c1ccc(Cl)c(I)c1 2283664735 RYXZTQRKVPDWNL-BXUZGUMPSA-N 470.576 5.113 50 10 JKGE C[C@@]1([C@@H](Br)c2c(F)cc(Br)c(F)c2Br)CCCC1(F)F 2288482407 FIDDOTUWYXHZLZ-RYUDHWBXSA-N 482.935 6.751 50 10 JKGE O=C(CSc1nnc(SCc2cccc3ccccc23)s1)NN=CC=Cc1ccccc1 2293738376 JBKPNERPFCXSOY-UHFFFAOYSA-N 476.652 5.891 50 10 JKGE CCOC(=O)c1c(-c2ccc(Cl)cc2)csc1NC(=O)C(C#N)=Cc1ccc(Cl)cc1 2296500385 NQGAHUZGIJWIQP-UHFFFAOYSA-N 471.365 6.444 50 10 JKGE CCc1ccc(NC(=O)C(C#N)=C2S[C@H](Cc3cccc(Cl)c3)C(=O)N2c2ccccc2)cc1 2296507128 UQBHKKKKPAGFAS-XMMPIXPASA-N 488.012 5.967 50 10 JKGE Cc1ccc(C(C)C)c(Oc2nc3ccccn3c(=O)c2C=C(C#N)C(=O)NCCc2ccccc2)c1 2296723160 LBDOXMIJKCYUMS-UHFFFAOYSA-N 492.579 5.185 50 10 JKGE CCOc1ccc(-c2nn(-c3ccccc3)cc2C=C(C#N)c2nc3ccccc3n2C)cc1C 2296730320 WHXVCDKITZCTHT-UHFFFAOYSA-N 459.553 6.197 50 10 JKGE COc1cccc(NC(SCc2ccc(C)cc2C)=C(C#N)C(=O)NCc2cccs2)c1 2297414608 XWAXCSUDIKBHJY-UHFFFAOYSA-N 463.628 5.770 50 10 JKGE CC(C)CC1([C@@H](Br)c2cc(Br)ccc2OCc2ccccc2)CC1 2299491961 BCSYOCWPODHGJY-FQEVSTJZSA-N 452.230 7.290 50 10 JKGE Brc1cc(OCc2ccccc2)ccc1[C@H](Br)[C@@H]1CC[C@H]2C[C@@H]2C1 2299505449 WZPIXJDMMSXCQK-BIZBXSGISA-N 450.214 6.900 50 10 JKGE CC(F)(F)C1([C@H](Br)c2sc(Cl)cc2I)CCC1 2301081854 SXNOJZPQOCDCPP-SECBINFHSA-N 455.533 6.268 50 10 JKGE Cc1ccc(NC(=O)C(C#N)=Cc2cc(Cl)c(OCc3cccc4ccccc34)c(Cl)c2)cc1 2313568188 PHPDYGKARNTGHR-UHFFFAOYSA-N 487.386 7.580 50 10 JKGE N#CC(=Cc1ccc(OC(=O)c2cccc3ccccc23)cc1)C(=O)Nc1cccc(Cl)c1Cl 2313631956 ZRQPFSLRFHPOCO-UHFFFAOYSA-N 487.342 6.911 50 10 JKGE COc1cc2ccccc2cc1C(=O)NN=C1C(=O)N(CC=Cc2ccccc2)c2ccccc21 2313649571 PACHIEQGTRLROX-UHFFFAOYSA-N 461.521 5.043 50 10 JKGE COc1cc(C=C(C#N)C(=O)Nc2c(C)cccc2C)ccc1OCc1ccc(Cl)c(Cl)c1 2313667318 KREYMKYOCYWPEJ-UHFFFAOYSA-N 481.379 6.744 50 10 JKGE FC1(F)CCC([C@H](Br)c2cc(Br)ccc2OCc2ccccc2)CC1 2314440975 VCNNDWYFBZZWME-IBGZPJMESA-N 474.183 7.290 50 10 JKGE CCCCCCN1C(=O)C(=Cc2ccc(-c3ccc(Cl)c(Cl)c3)o2)C(C)=C(C#N)C1=O 2314610593 JQNFEELUVLQKKF-UHFFFAOYSA-N 457.357 6.426 50 10 JKGE CC(C)[C@@H]1C[C@@H]1[C@H](Br)c1c(Cl)cc(Br)c(F)c1Br 2315447728 RJSYKUMDBWYQDI-HFJPGXAFSA-N 463.410 6.732 50 10 JKGE Clc1cc(I)c([C@H](Br)c2cc3c(s2)CCCC3)s1 2316599450 QWMRLTDQSIAWOO-GFCCVEGCSA-N 473.626 6.431 50 10 JKGE Cc1cc(Oc2cc(Br)cc(I)c2)ncc1CBr 2316760740 XSPHPVKOGIRVTO-UHFFFAOYSA-N 482.941 5.444 50 10 JKGE N#CC(=Cc1ccc(OC(=O)CCCN2C(=O)c3ccccc3C2=O)cc1)c1ccc(Cl)cc1 2320506381 IIHKVFCAKYCASS-UHFFFAOYSA-N 470.912 5.386 50 10 JKGE COc1ccc(C(C#N)=Cc2cccc(OC(=O)[C@@H](C)Oc3ccc(Cl)cc3Cl)c2)cc1 2320511218 PHMOVTZSAVTUBK-MRXNPFEDSA-N 468.336 6.439 50 10 JKGE CC1(C)C[C@H](Br)[C@@H](Cc2ccc(I)c(Br)c2)CO1 2325176506 XPNZZMXPSVQNSD-JQWIXIFHSA-N 488.001 5.175 50 10 JKGE N#CC(=CN1CCC(Cc2ccccc2)CC1)C(=O)Nc1ccccc1Sc1ccccc1 2325336038 PAKVOXBBMWHZLW-UHFFFAOYSA-N 453.611 6.138 50 10 JKGE N#CC(=Cc1ccc(-n2nc(-c3ccccc3)cc2-c2ccccc2)cc1)c1ncccc1[N+](=O)[O-] 2331059634 XHWGPFQSCOCPRB-UHFFFAOYSA-N 469.504 6.574 50 10 JKGE CC[C@@H](C)[C@H](C(O)=C(C#N)c1nc(-c2cccc(Cl)c2)cs1)N1C(=O)c2ccccc2C1=O 2331294497 YAQRHXZJDJPWEM-SPLOXXLWSA-N 477.973 5.967 50 10 JKGE CCOc1ccc(-c2csc(C(C#N)=Cc3ccc(OC(C)C)c(OC)c3)n2)c(OCC)c1 2331473920 ORHHCPIOHYJKJF-UHFFFAOYSA-N 464.587 6.467 50 10 JKGE Cc1cc([C@@H](Cl)c2c(F)cc(Cl)c(Br)c2Cl)sc1Br 2335293031 CRAYNXFBDXZCFS-SNVBAGLBSA-N 467.412 7.356 50 10 JKGE C[C@]1([C@@H](Br)c2c(Cl)cc(Br)c(F)c2Br)CCCCO1 2337106697 LKQFEKVWEXRMLP-QWHCGFSZSA-N 479.409 6.399 50 10 JKGE COC1(C[C@@H](Br)c2c(Cl)cc(Br)c(F)c2Br)CCC1 2337112167 CKTOQXCVBVOVIL-MRVPVSSYSA-N 479.409 6.399 50 10 JKGE Clc1ccc(C[C@H]2CCCCCCC[C@H]2Br)cc1I 2337277732 XPHNGYFHIWIHIY-ZIAGYGMSSA-N 455.605 6.611 50 10 JKGE COc1c(C)cc(Br)c(C)c1[C@@H](Br)c1cnsc1Br 2337333655 CSUBAHRMZNOHES-NSHDSACASA-N 470.024 5.778 50 10 JKGE CC1(C)COC[C@H]1COc1c(Br)cc(Br)cc1CBr 2338978681 RIHYYCBPIFDXJY-JTQLQIEISA-N 457.000 5.158 50 10 JKGE Clc1ccc([C@@H](Cl)c2cc(C3CC3)c(Br)s2)c(I)c1 2340065847 XFQMGKAEKUZLIX-CYBMUJFWSA-N 488.015 6.974 50 10 JKGE ClCc1ccc(Br)c(OCc2ccc(Cl)cc2I)n1 2340101052 RMQFFVWAHFMKJS-UHFFFAOYSA-N 472.935 5.420 50 10 JKGE ClCc1cc(Br)cnc1OCc1c(Br)cccc1Br 2340583228 YJOOHVBITVIMBC-UHFFFAOYSA-N 470.386 5.687 50 10 JKGE O=C(CCc1cc(Cl)cc(Cl)c1)N(Cc1ccccc1)C1(CBr)CCC1 2341155780 CFXSFJBIMKVERE-UHFFFAOYSA-N 455.223 6.272 50 10 JKGE COc1c(Br)cc(C)cc1[C@@H](Br)c1csc(C)c1Br 2343560717 AJQFIMYJCZSXOR-CYBMUJFWSA-N 469.036 6.383 50 10 JKGE FC1(F)CC[C@@H](Cl)[C@@H](Cc2ccc(I)c(Br)c2)CC1 2349777695 CYFPJDCKJJACJY-ZYHUDNBSSA-N 463.531 6.029 50 10 JKGE CC(C)(CI)CN1CCC(CC2CCN(C(=O)OC(C)(C)C)CC2)CC1 2351613358 VJRNGZJKYSVXQP-UHFFFAOYSA-N 478.459 5.197 50 10 JKGE Cc1cc(I)c(Oc2cc(CBr)c(C)cn2)cc1Cl 2352407280 IEPBVGWJYULVEX-UHFFFAOYSA-N 452.517 5.644 50 10 JKGE Fc1c(Br)cc(Cl)c([C@@H](Cl)[C@@H]2CC[C@@H]3[C@H]2C3(F)F)c1Br 2362238205 HYGMSVMBXAMPBX-HQJSFPEUSA-N 452.923 6.575 50 10 JKGE CC1(C)CCCC[C@H]1[C@H](Br)c1c(Cl)cc(Br)c(F)c1Br 2362254080 KSTKTFWHRATDLW-UFBFGSQYSA-N 491.464 7.657 50 10 JKGE Cc1cc(Br)c(F)c(Br)c1[C@@H](Br)[C@@]1(C)CCCC1(F)F 2365180046 QWEBSCCYQINGQB-CHWSQXEVSA-N 478.972 6.921 50 10 JKGE COc1c(Br)cc(C)c([C@H](Br)[C@H]2CCC[C@@H](C)C2)c1Br 2365189521 VUMLGWIKBVHMCB-OLUVUFQESA-N 469.055 6.791 50 10 JKGE Cc1cc(Br)c(F)c(Br)c1[C@H](Br)C1CC2(C1)CC2(C)C 2365192355 BMIZYJANWGJGGI-FTMAYTQWSA-N 469.030 6.921 50 10 JKGE Cc1cc(Br)c(F)c(Br)c1[C@@H](Br)C(F)(F)[C@@H]1CCOC1 2365193958 MYHRNYDFQRAOLF-JMCQJSRRSA-N 480.944 5.767 50 10 JKGE Cc1cc(Br)c(F)c(Br)c1[C@H](Br)[C@@H]1CC[C@H]2[C@@H]1C2(F)F 2365224453 YLFMXXHBIXYFGJ-LRMGWDNHSA-N 476.956 6.386 50 10 JKGE CN(C(=O)c1ccc(Cl)cc1I)[C@@H]1CCCCC[C@@H]1Br 2365581443 GBAAZLQFTUNRDP-GXTWGEPZSA-N 470.576 5.113 50 10 JKGE FC(F)(F)c1ccc(CBr)c(Oc2ccccc2I)n1 2369885393 NRFKYWLRLFFZIS-UHFFFAOYSA-N 458.015 5.392 50 10 JKGE Fc1cc(CCl)cc(F)c1OCc1ccc(I)c(Br)c1 2377291459 PDMJKTZTGIKLDN-UHFFFAOYSA-N 473.482 5.650 50 10 JKGE C=CCC1(CCl)CCN(Cc2ccc(I)c(Br)c2)CC1 2377352311 ANSQLOOKBZBABU-UHFFFAOYSA-N 468.604 5.451 50 10 JKGE N#C/C(=C/c1cn(-c2ccccc2)nc1-c1ccc(OCc2ccccc2)cc1)C(=O)N1CCCCC1 33383303 SHOZKYIBGPDQCB-QOMWVZHYSA-N 488.591 6.038 50 10 JKGE N#CC1=C(N)N2C(=C(C#N)[C@H]1c1ccc(-c3cc(Cl)cc(Cl)c3)o1)Sc1ccccc12 34871698 XHSBXMHUGOYSQY-NRFANRHFSA-N 463.349 6.392 50 10 JKGE C/C(=N/NC(=O)c1ccc(COc2ccccc2-c2ccccc2)cc1)c1ccc(-n2ccnc2)cc1 35376787 DKQYFBXVAJVIAI-SNCSUOKWSA-N 486.575 6.272 50 10 JKGE Cc1ccc([C@@H]2c3cccn3-c3ccccc3N2C(=O)CN(C(=O)C(C)(C)CCl)C(C)C)cc1 35706975 SOPYSGZASDWJNW-AREMUKBSSA-N 478.036 5.724 50 10 JKGE Cc1ccc2c(c1)/C(=N\NC(=O)c1cc(-c3ccccc3)nc3ccccc13)C(=O)N2CCC(C)C 38180263 MHRNLSFMXWRQQZ-VEWQFJOQSA-N 476.580 5.737 50 10 JKGE Cc1ccc(OCC(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@H]3c2ccc(Cl)cc2Cl)cc1 38655209 TZMNKKOVSBCBTD-DEOSSOPVSA-N 481.335 5.504 50 10 JKGE N#CC1=C(N)Oc2cc(OC(=O)Cc3cccc4ccccc34)ccc2[C@H]1c1cccc(F)c1 38678138 RHTKAQMUBMZHBA-HHHXNRCGSA-N 450.469 5.345 50 10 JKGE CC(C)c1ccc(OCC(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@@H]3c2cccc(F)c2)cc1 38678283 BZXJGYIOVAFOKG-AREMUKBSSA-N 458.489 5.152 50 10 JKGE COc1ccc(C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@H]3c2ccc(C(C)C)cc2)cc1Cl 38687114 QNOBYUSZPBPPBB-VWLOTQADSA-N 474.944 5.909 50 10 JKGE Cc1cc2oc(C(=O)Oc3ccc4c(c3)OC(N)=C(C#N)[C@@H]4c3ccccc3F)c(C)c2cc1C 38687958 OMQOOYUCDOBCAG-RUZDIDTESA-N 468.484 5.935 50 10 JKGE CCCCCCOc1ccc(/C=C(\C#N)C(=O)Nc2nc(-c3cccc(OC)c3)cs2)cc1OC 40927081 XIIVMJVUSLCCFQ-KGENOOAVSA-N 491.613 6.332 50 10 JKGE CC(C)(C)c1ccc(OCCCC(=O)N/N=C/c2cccc(Br)c2)c(Br)c1 40951330 LUGBBUPVNHZMOY-ZVHZXABRSA-N 496.243 5.818 50 10 JKGE CCOc1cc(/C=C(\C#N)C(=O)Nc2c(C)cccc2C)ccc1OCc1ccccc1Cl 59201361 ANNPOVWDBRDQDQ-HYARGMPZSA-N 460.961 6.480 50 10 JKGE O=C(N/N=C(/CSc1nc2ccccc2[nH]1)c1ccc(-c2ccccc2)cc1)c1ccccc1 59460610 XXBJPXAVAFRBTC-ZXPTYKNPSA-N 462.578 6.156 50 10 JKGE Cc1ccnc(NC(=O)[C@@]23CC[C@@](C(Br)Br)([C@@H]2Br)C3(C)C)c1 100921786 MOXYJCWMQQORPV-KNXALSJPSA-N 495.053 5.014 50 10 JKGE CC1(C)[C@H]2CC[C@@]1(C(=O)NNC(=O)c1ccc(Cl)cc1)c1nc3cc(Cl)c(Cl)cc3nc12 101106510 YYSLINBWBDMFQG-NPMABZOXSA-N 489.790 5.206 50 10 JKGE CCCCCCCCOc1ccc(/C=C2/C(=O)N(C3CCCC3)C(=O)C(C#N)=C2C)cc1OC 101338784 WVDNNYRIYOOMRX-HAVVHWLPSA-N 464.606 5.969 50 10 JKGE CC(C)(C)c1ccc(/C=C(/C#N)C(=O)Nc2ncc(Cc3ccc(Cl)cc3Cl)s2)cc1 102958504 RFWFQNQKHAUZPP-YVLHZVERSA-N 470.425 6.884 50 10 JKGE CCCCCCCCCCCCCCCCCC(=O)N/N=C/c1cc([N+](=O)[O-])ccc1Cl 105054667 OBRXOBVNZOLPIV-SZXQPVLSSA-N 466.066 7.960 50 10 JKGE Cc1ccc([C@@H](Br)c2cc3c(cc2Br)OCCO3)cc1Br 130458447 UJWOSRUBSBAUTK-MRXNPFEDSA-N 476.990 5.776 50 10 JKGE Brc1cccc([C@H](CI)O[C@H]2CCCc3ccccc32)c1 162078597 NRHVYYFNCXJZCC-ROUUACIJSA-N 457.149 6.019 50 10 JKGE O=[N+]([O-])c1cc(Br)ccc1COc1c(Br)cccc1CBr 162284303 USCOXLLDJLFBBL-UHFFFAOYSA-N 479.950 5.594 50 10 JKGE Brc1ccc(CO[C@@H](CI)c2cccc(Br)c2)cc1 162533088 DZZADGWPEUBYLG-HNNXBMFYSA-N 495.980 5.905 50 10 JKGE CCCCCN1C(=O)C(C#N)=C(C)/C(=C/c2ccc(OCc3ccccc3)c(OCC)c2)C1=O 214237478 XAGNUQDIRDBLRN-KQWNVCNZSA-N 458.558 5.447 50 10 JKGE CC[C@@H](NC(=O)/C(C#N)=C\Nc1cc(OC)c(Cl)cc1OC)c1ccc2c(c1)CCCC2 217192554 WNJOIQOERCPSDP-OHUBLEDJSA-N 453.970 5.323 50 10 JKGE COc1cc(Br)c(Oc2ccc(CBr)cn2)cc1Br 218338607 YZIYJXNSYPYZCS-UHFFFAOYSA-N 451.940 5.302 50 10 JKGE COc1cc(F)c(Br)cc1[C@H](Cl)c1cc(Br)ccc1Br 234921938 MCEDABLLOYKSQW-CQSZACIVSA-N 487.388 6.450 50 10 JKGE CCc1ccc(C=NNC(=O)CSc2nnc(-c3ccc(C(C)(C)C)cc3)n2-c2ccccc2)cc1 254292026 GNYQDTZPBZVTMC-UHFFFAOYSA-N 497.668 6.037 50 10 JKGE COc1cc(C=NNC(=O)CSc2nc3ccccc3s2)ccc1OCc1ccccc1F 254565654 DBWCLLUBDGKWPM-UHFFFAOYSA-N 481.574 5.265 50 10 JKGE O=C(CSc1nnc(-c2ccccc2)s1)NN=Cc1ccc(OCc2ccccc2)cc1 256028344 GNHBOASTLJWHFL-UHFFFAOYSA-N 460.584 5.027 50 10 JKGE C/C(C=O)=C\CC[C@H](C)[C@@H]1CC[C@]2(C)C3=C(CC[C@]12C)[C@]1(C)CCC(=O)C(C)(C)[C@H]1CC3=O 257469887 KZOBOICRKKYGAQ-CJPNXAKVSA-N 452.679 7.045 50 10 JKGE biogenic O=C(Nc1ccc(I)c(Br)c1)c1ccc(CCl)cc1 311350013 AAIVPXAIAJXXNE-UHFFFAOYSA-N 450.501 5.045 50 10 JKGE Fc1ccc([C@H](Cl)c2cc(I)cc3c2OCC3)c(Br)c1 312404281 VUQXQAYLKCUUQL-AWEZNQCLSA-N 467.503 5.456 50 10 JKGE C[C@@H](Cl)c1nc2cc(I)ccc2n1C(C)(C)CN(C)Cc1ccccc1 379603115 FAIDWDZKRUKCEF-OAHLLOKOSA-N 481.809 5.808 50 10 JKGE FC(F)(F)c1csc([C@H](Br)c2cccc(Cl)c2Cl)c1Br 380265901 VANRPWCFOMPGEE-MRVPVSSYSA-N 468.947 7.321 50 10 JKGE O=C(OCc1ccccc1)N1C[C@@H](CBr)[C@@H](c2ccc(Br)s2)C1 382711401 HIZJASRONYKAFQ-KGLIPLIRSA-N 459.203 5.258 50 10 JKGE CC(C)(C)OC(=O)N1C[C@@H](CI)[C@@H](c2cc(Cl)ccc2Cl)C1 382720304 MZSGXWJYKRCHDJ-MFKMUULPSA-N 456.151 5.379 50 10 JKGE C[C@H](Cl)c1nc2cc(Cl)ccc2n1CCCN(Cc1ccccc1)Cc1ccccc1 390470249 BSIVGTCWIXCDAV-FQEVSTJZSA-N 452.429 7.082 50 10 JKGE CC(C)(C)[Si](C)(C)OCCc1cccc([C@H]2CCCN2CCO[Si](C)(C)C(C)(C)C)c1 616608319 PUXASJHYFFFLOJ-XMMPIXPASA-N 463.855 7.410 50 10 JKGE CCn1cc([C@H](Br)c2sc(COC)cc2Br)nc1Br 688090236 CUZIYECGGUGBSK-JTQLQIEISA-N 473.028 5.120 50 10 JKGE Cc1cc(Br)c([C@H](Br)c2cc3cscc3s2)cc1Br 694360176 IUHGLFZDFRPWPI-AWEZNQCLSA-N 481.072 7.281 50 10 JKGE C[C@@H]1CCCN(C(=O)c2cc(Br)sc2Br)[C@@H]1CCBr 700387548 KMBNCMRUKAUPGW-PSASIEDQSA-N 474.056 5.299 50 10 JKGE Cl[C@@H](Cc1cccc(Br)c1)c1scc(Br)c1Br 705500937 IKDVYPCXRLOXNV-JTQLQIEISA-N 459.428 6.558 50 10 JKGE Cl[C@@H](Cc1ccccc1Br)c1cc(Br)c(Br)s1 709561876 HITGEMIKLYCQKP-JTQLQIEISA-N 459.428 6.558 50 10 JKGE CC1(C)C[C@@H]([C@H](Br)c2cc(Br)sc2Br)C(C)(C)O1 710058771 QUJOCCZQIZIPMN-WCBMZHEXSA-N 461.057 6.303 50 10 JKGE Fc1cc([C@H](Cl)c2cccc(F)c2I)c(F)cc1Br 721693152 SYUFSXKKNGHXQH-GFCCVEGCSA-N 461.446 5.799 50 10 JKGE C=CCc1cc(C=NNC(=O)CC[C@@H](O)c2ccccc2)cc(OC)c1OCc1ccccc1Cl 725422319 NNBIARLLGKDEPE-RUZDIDTESA-N 493.003 5.620 50 10 JKGE O=C(Nc1ccccc1C(=O)NN=Cc1cccc(Br)c1)c1ccc(Cl)cc1 1083977657 RJJAZMPAMPKRCB-UHFFFAOYSA-N 456.727 5.119 50 10 JKGE COc1cc(/C=C(/C#N)C(=O)Nc2cc([N+](=O)[O-])ccc2Cl)ccc1OCc1ccccc1 1084296543 XWBZYZXSUTZGQK-WQRHYEAKSA-N 463.877 5.381 50 10 JKGE Cc1sc(-n2c(C)cc(C=NNC(=O)c3cc4cc(Br)ccc4o3)c2C)c(C#N)c1C 1084555201 OGERHZVSEVZHKK-UHFFFAOYSA-N 495.402 5.917 50 10 JKGE COc1ccc(/C(C#N)=C/c2cccc(OC(=O)/C=C/c3ccc(Cl)cc3Cl)c2)cc1OC 1615066368 BREXBSWFFIUFGA-JOESBUEISA-N 480.347 6.694 50 10 JKGE COc1ccc(OCCCC(=O)Oc2ccc(/C=C(\C#N)c3ccc(OC)c(OC)c3)cc2)cc1 1615099314 BKNNKPSYCJFCST-OQKWZONESA-N 473.525 5.541 50 10 JKGE Cc1c(C(=O)Nc2ccc(Oc3ccccc3)cc2)oc2c1C(=NNC(=O)c1ccc(O)cc1)CCC2 1772744683 HFKONNIHWSHNKV-UHFFFAOYSA-N 495.535 5.809 50 10 JKGE Cc1ccc(NC(=O)c2oc3c(c2C)C(=NNC(=O)COc2ccccc2)CCC3)cc1Cl 1772749508 MEHUEEUICRSVOY-UHFFFAOYSA-N 465.937 5.038 50 10 JKGE CCOc1cc([C@@H]2C(C#N)=C(N)Oc3c2c(-c2ccccc2)nn3-c2ccc(C)cc2)ccc1O 1865681557 QKAYWIGBFSCYKN-XMMPIXPASA-N 464.525 5.170 50 10 JKGE CCCc1nn(-c2ccc(Br)cc2)c2c1[C@@H](c1ccc(C(C)(C)C)cc1)C(C#N)=C(N)O2 1865682135 GYZOLVPQQAYZJZ-QFIPXVFZSA-N 491.433 6.103 50 10 JKGE N#CC1=C(N)Oc2c(c(-c3ccccc3)nn2-c2cccc3ccccc23)[C@H]1c1cccc(Cl)c1 1865683311 IOCLTGVXSXTJBF-VWLOTQADSA-N 474.951 6.564 50 10 JKGE CCCc1nn(-c2ccc(Br)cc2)c2c1[C@H](c1cccc(Cl)c1)C(C#N)=C(N)O2 1865683555 MLPYSDOOFXBGTQ-LJQANCHMSA-N 469.770 5.459 50 10 JKGE COc1ccc2ccccc2c1[C@H]1C(C#N)=C(N)Oc2c1c(C(F)(F)F)nn2-c1ccc(C)cc1 1865688429 RUNKYOYHZINRGR-OAQYLSRUSA-N 476.458 5.580 50 10 JKGE CCCOc1cccc([C@@H]2C(C#N)=C(N)Oc3c2c(-c2ccccc2)nn3-c2ccc(Cl)cc2)c1 1865693421 JQMSKNPNIFUDAF-XMMPIXPASA-N 482.971 6.200 50 10 JKGE CCCc1nn(Cc2ccc(Cl)cc2)c2c1[C@H](c1cccc(OC)c1OCC)C(C#N)=C(N)O2 1865693524 OUYZTPLFQCOQSH-JOCHJYFZSA-N 478.980 5.163 50 10 JKGE CCCCOc1ccc([C@H]2C(C#N)=C(N)Oc3c2c(C(F)(F)F)nn3-c2ccccc2)cc1OC 1865696808 LBVYMWVYTWISGH-FQEVSTJZSA-N 484.478 5.297 50 10 JKGE CCCc1nn(Cc2cc(C)ccc2C)c2c1[C@@H](c1cc(Cl)c(O)c(OC)c1)C(C#N)=C(N)O2 1865707503 YCMFUFSUVQTXNU-QFIPXVFZSA-N 478.980 5.087 50 10 JKGE COc1ccc([C@H]2C(C#N)=C(N)Oc3c2c(-c2ccccc2)nn3-c2cccc(Cl)c2)c(OC)c1 1865707759 FISIQSSRJNOMNX-QHCPKHFHSA-N 484.943 5.428 50 10 JKGE CCOC(=O)c1c(-c2ccc3c(c2)CCCC3)csc1NC(=O)/C(C#N)=C/c1ccc(Cl)cc1 1866128193 BYOXSUGZQPBUIW-FYJGNVAPSA-N 491.012 6.670 50 10 JKGE COCCc1nc(Nc2ccc(SC#N)cc2)cc(N2CCc3cc4ccc(C)cc4nc32)n1 1868253046 ATVVGJVBMYNQQJ-UHFFFAOYSA-N 468.586 5.533 50 10 JKGE N#C/C(=C(O)\C(=C/c1ccccc1)c1ccccc1)c1nc(-c2ccc(-c3ccccc3)cc2)cs1 1872743820 NHVCVNPKWPRXTF-GZNRKZGXSA-N 482.608 8.511 50 10 JKGE N#C/C(=C(O)\C(=C/c1ccccc1)c1ccccc1)c1nc(-c2ccc3c(c2)CCCC3)cs1 1872745174 CXBXOLSTHVZNGW-PUZYTEFZSA-N 460.602 7.722 50 10 JKGE COc1ccc(-c2csc(/C(C#N)=C(\O)Cc3ccc(OCc4ccccc4)cc3)n2)c(C)c1C 1872753502 AAXYNIPEJNZWRK-RFBIWTDZSA-N 482.605 7.050 50 10 JKGE COc1cc(Cl)c(C)cc1-c1csc(/C(C#N)=C(\O)COc2ccc(Cl)c(C)c2)n1 1872757227 VNKXNUSLJURAFY-SILNSSARSA-N 461.370 6.614 50 10 JKGE Cl[C@@H](c1ccc(OCc2ccccc2)cc1Br)c1sncc1Br 1899864951 IZZCIVCLDDADAL-INIZCTEOSA-N 473.617 6.575 50 10 JKGE ClCC[C@H](COCc1ccccc1)NCc1c(Br)cccc1Br 1902891362 JJIFSRJWEFLGJO-OAHLLOKOSA-N 461.625 5.516 50 10 JKGE BrCc1ccc(N2C[C@@H]3CCN(Cc4ccccc4)[C@@H]3C2)cc1Br 1909106525 AQCSJHGTEXUTLT-FXAWDEMLSA-N 450.218 5.055 50 10 JKGE CN(C[C@H](Br)COCc1ccccc1)C(=O)c1cc(Cl)ccc1Br 1916383829 QCMIUDROSUWMOH-AWEZNQCLSA-N 475.608 5.155 50 10 JKGE Cc1c(Br)sc([C@@H](Br)[C@@H]2CCOc3ccccc32)c1Br 1922879922 AMBSQWFRGPDUNF-MFKMUULPSA-N 481.047 6.584 50 10 JKGE CS(=O)(=O)c1sccc1[C@H](Br)c1sc(Br)cc1Br 1922892412 AEFJGZYUCSKKBN-QMMMGPOBSA-N 495.077 5.222 50 10 JKGE Clc1c(Br)sc(Br)c1[C@H](Cl)c1coc(Br)c1 1923038185 HMNCRDZBOYRZEO-ZCFIWIBFSA-N 469.807 6.610 50 10 JKGE O=C(N[C@H](CBr)CC1CCCC1)c1cccc(Br)c1Br 1926735123 IDOCVPBRZBJQOO-NSHDSACASA-N 468.027 5.285 50 10 JKGE CCc1cc(Br)c([C@@H](Br)c2ccccc2I)s1 1942100808 CILYALYGLOSEGF-LBPRGKRZSA-N 486.010 6.162 50 10 JKGE Fc1ccc(I)cc1[C@@H](Br)c1ccc(Br)s1 1980670416 CRESYQGAZVBXLT-LLVKDONJSA-N 475.946 5.739 50 10 JKGE Fc1c(CN(Cc2ccccc2)C2(CBr)CCC2)ccc(Cl)c1Br 2001880414 AIZGPKKSRZIKRS-UHFFFAOYSA-N 475.627 6.561 50 10 JKGE Cc1nc([C@@H](Br)c2sc(C)c(Br)c2C)c(Br)s1 2003571824 ZGGJEJAYEGVBMN-MRVPVSSYSA-N 460.054 6.139 50 10 JKGE CCC(CC)[C@@H](Br)CNC(=O)c1csc(Br)c1Br 2032952987 AEDPRHPLPPTVDG-VIFPVBQESA-N 462.045 5.203 50 10 JKGE Cn1nc([C@H](Br)c2cc(Br)ccc2Br)c(Cl)c1Cl 2033316174 MMIHTLMNSOABFP-MRVPVSSYSA-N 477.809 5.736 50 10 JKGE CC(C)(C)[Si](OCc1ccc(I)cc1)(c1ccccc1)c1ccccc1 2049394366 SEIUXQUFMSVIEA-UHFFFAOYSA-N 472.442 5.368 50 10 JKGE Cc1c(Br)sc([C@@H](Br)C2CC(CC3CC3)C2)c1Br 2050217564 VJQAUGWMJQHVSA-CBINBANVSA-N 457.069 6.844 50 10 JKGE C[C@@H](c1ccccn1)[C@@H](Br)c1ccc(Br)cc1I 2086149671 QPZVRXTZMVCCRV-LKFCYVNXSA-N 480.969 5.688 50 10 JKGE COc1ccc([C@H](Br)c2c(Br)cccc2Br)cc1F 2094091870 YWVMZUKPBWXTSI-AWEZNQCLSA-N 452.943 5.844 50 10 JKGE BrC[C@@H]1CCC2(CC2)CN1Cc1ccc(Br)cc1Br 2097884383 DUDILZCRSZKZRN-ZDUSSCGKSA-N 452.028 5.351 50 10 JKGE C[C@H]1CN(Cc2ccccc2)C[C@H]1n1c(CCl)nc2cc(Br)c(Cl)cc21 2103624678 QQFDBENGYHQORX-ORAYPTAESA-N 453.211 5.884 50 10 JKGE BrC[C@@H]1C[C@@H]2CCC[C@@H]2N1Cc1c(Br)cccc1Br 2108392125 PEMLHYWMVPIFMF-PGUXBMHVSA-N 452.028 5.350 50 10 JKGE FC(F)(F)C1([C@H](Br)c2cc(Br)c(Br)s2)CCOCC1 2116583872 JGFQYCPAWYMUBK-MRVPVSSYSA-N 486.973 6.068 50 10 JKGE Cc1cc([C@H](Br)c2c(C)c(Br)cc(C)c2Br)oc1C 2136379728 NPOZUPAGKJQMOR-HNNXBMFYSA-N 450.996 6.523 50 10 JKGE COc1ccc([C@H](Cl)c2scc(Br)c2Br)c(Cl)c1Cl 2138643968 SPLSCEPNUVNVDF-JTQLQIEISA-N 465.421 6.917 50 10 JKGE Fc1cccc(-n2c(CCl)nc3cc(I)ccc32)c1Br 2146006697 XXWMADHKFJDAFD-UHFFFAOYSA-N 465.491 5.271 50 10 JKGE COc1cc(Br)c(C)cc1[C@@H](Cl)c1cccc(Br)c1Br 2148753007 QMQJSGYECDZWET-HNNXBMFYSA-N 483.425 6.619 50 10 JKGE CC1(C)C[C@@H](Br)CCN(C(=O)c2c(Br)cccc2Br)C1 2150487629 JBFCIOVSIPZOOK-JTQLQIEISA-N 468.027 5.237 50 10 JKGE CCCC(CBr)(CCC)CN=[S@@](C)(=O)C1CCN(C(=O)OC(C)(C)C)CC1 2163063399 PUMYJINDVLWIMN-MHZLTWQESA-N 467.514 5.465 50 10 JKGE Cc1cc(Br)c([C@H](Br)c2ccc3sncc3c2)cc1Br 2177170554 VDDLRKJSHFSPSY-OAHLLOKOSA-N 476.031 6.614 50 10 JKGE CCOc1ccc(S(=O)(=O)N(Cc2ccccc2)[C@H](C)C(C)C)cc1CBr 2179828938 VQTIWPPNOJZLRO-QGZVFWFLSA-N 454.430 5.216 50 10 JKGE Cc1cc(Br)c(CBr)c(N2CC[C@H]3OCCN(Cc4ccccc4)[C@@H]3C2)c1 2185517714 YMNCKJLLEGIGIC-FGZHOGPDSA-N 494.271 5.132 50 10 JKGE O=C(N[C@@H](CBr)[C@H]1CC=CCC1)c1cccc(Br)c1Br 2196138461 ATNQMZXFABRIRJ-GWCFXTLKSA-N 466.011 5.061 50 10 JKGE CCc1ccc([C@H](Br)c2c(C)c(Br)cc(C)c2Br)cc1 2201073916 PBQHKNWHKBGRAS-KRWDZBQOSA-N 461.035 6.875 50 10 JKGE Brc1ccc([C@@H](Br)c2ccc3ccccc3c2)c(Br)c1 2203685231 JPQZYXKQCHMGAW-KRWDZBQOSA-N 454.987 6.849 50 10 JKGE CS(=O)(=O)c1cccc([C@H](Br)c2ccc(Br)cc2Br)c1 2203688885 WGGPZMVCLUJCBC-AWEZNQCLSA-N 483.019 5.099 50 10 JKGE FCCOc1cccc([C@H](Br)c2ccc(Br)cc2Br)c1 2203705683 OQYPARDWGQSSAY-HNNXBMFYSA-N 466.970 6.044 50 10 JKGE Cc1cc(Br)c(CBr)c(N2CCc3sc(Br)cc3C2)c1 2206354947 SOIQRUANGRUVRM-UHFFFAOYSA-N 480.063 6.039 50 10 JKGE Cc1cc(Br)c([C@@H](Br)c2sc(Cl)cc2Br)s1 2211916538 HLUCIOPBCJRRBP-MRVPVSSYSA-N 465.457 6.781 50 10 JKGE Cc1ccc([C@H](Br)c2cc(Br)c(C)s2)cc1I 2212992275 LGDMVFACXJWMCU-ZDUSSCGKSA-N 486.010 6.216 50 10 JKGE C[C@H](Cl)c1nc2cc(Br)c(Br)cc2n1CCN(C)Cc1ccccc1 2218655438 QSDQKGTXKMWUQT-ZDUSSCGKSA-N 485.651 5.993 50 10 JKGE Cc1cc(Br)c([C@H](Br)[C@@H]2CC[C@H]2C(F)(F)F)cc1Br 2224375516 MWUZVGMTEAGYHU-JWKOBGCHSA-N 464.945 6.545 50 10 JKGE Cc1cc(Br)c([C@@H](Br)[C@@]2(C)CCCCO2)c(C)c1Br 2227359506 ISLSIPBWJBLVFK-HUUCEWRRSA-N 455.028 6.224 50 10 JKGE FC(F)(F)CCCCO[C@@H](CI)c1ccc(Br)cc1 2230092848 DZPZHMJJQNPUSA-LBPRGKRZSA-N 451.064 5.674 50 10 JKGE Cc1ccc([C@@H](C)[C@H](Br)c2c(Br)sc(Br)c2Cl)cc1 2232088205 PWCKEWLSONSWGB-KCJUWKMLSA-N 487.482 7.475 50 10 JKGE Cc1cc(Br)c([C@H](Cl)c2ccc(Cl)cc2Cl)c(C)c1Br 2235601909 BQSKWRXIAFMEIN-OAHLLOKOSA-N 457.420 7.463 50 10 JKGE Cc1cc(Br)c([C@H](Br)C[C@H]2CC(C)(C)CO2)c(C)c1Br 2235614747 LBOZXGMBDXOQBL-WCQYABFASA-N 469.055 6.470 50 10 JKGE Cc1cc(Br)sc1[C@H](Cl)c1ccc(Cl)c(I)c1 2248222028 XDHHIHZOHQWGMH-LLVKDONJSA-N 461.977 6.405 50 10 JKGE Cc1nsc(Br)c1[C@H](Cl)Cc1cc(Br)cc(Br)c1 2263510402 NOVUELDEBAUXLP-SNVBAGLBSA-N 474.443 6.262 50 10 JKGE COc1cc(OC)c([C@@H](Br)c2csc(Br)c2)cc1Br 2278035610 XJVFZXNFMYKGSO-ZDUSSCGKSA-N 471.008 5.775 50 10 JKGE O=C(c1csc(Br)c1Br)N1C[C@H](Br)C[C@H]2CCCC[C@@H]21 2279524143 SVDRMNMGUGEUGF-KKZNHRDASA-N 486.067 5.441 50 10 JKGE COc1ccc(Br)c2c1nc([C@H](C)Cl)n2[C@@H](C)CN(C)Cc1ccccc1 2286086410 YUFGMGDQMRFMIZ-GJZGRUSLSA-N 450.808 5.800 50 10 JKGE COc1cc(C=C(C#N)C(=O)Nc2ccc(Cl)cc2)cc(Cl)c1OCc1ccc(C(=O)O)cc1 2294171895 HZFAWMWKBZHXRK-UHFFFAOYSA-N 497.334 5.825 50 10 JKGE N#CC(=Cc1ccc(OCC(=O)Nc2ccc(F)cc2)c(Cl)c1)c1ccc([N+](=O)[O-])cc1 2294244390 CIERVJLJDWDTCX-UHFFFAOYSA-N 451.841 5.469 50 10 JKGE CC(C=CC=C(C)C=CC1=C(C)[C@H](OC(=O)CCCC[C@@H]2CCSS2)CCC1(C)C)=CC=O 2294818751 SEJCKAPVVGUQFE-AOYPEHQESA-N 488.759 7.953 50 10 JKGE Brc1cc(Br)cc(C[C@@H](Br)[C@@H]2CCCCC23CCC3)c1 2295331025 CYBIBFCZOLQBQV-JKSUJKDBSA-N 465.067 6.878 50 10 JKGE COc1ccc(C[C@@H]2SC(=C(C#N)C(=O)Nc3cccc(Cl)c3)N(c3ccccc3)C2=O)cc1 2295987724 ZHWAUOKBOOEUSE-QHCPKHFHSA-N 489.984 5.414 50 10 JKGE N#CC(=Cc1ccc(OCc2c(F)cccc2Cl)cc1)c1nn(-c2ccccc2)c(N)c1C#N 2296737728 FJXGJVFCXXAMGY-UHFFFAOYSA-N 469.907 5.762 50 10 JKGE N#CC(=Cc1cn(Cc2ccc(Cl)cc2Cl)c2ccccc12)C(=O)NC[C@@H]1CCCO1 2297308484 HAKJCAIVGIYHII-FQEVSTJZSA-N 454.357 5.199 50 10 JKGE CCCCOc1ccc(-c2nn(-c3ccccc3)cc2C=C(C#N)C(=O)NC2CCCCC2)cc1F 2297488374 UGINFUXANZQMJF-UHFFFAOYSA-N 486.591 6.213 50 10 JKGE N#CC(=Cc1cn(-c2ccccc2)nc1-c1cc2ccccc2o1)C(=O)Nc1ccc(Cl)cc1Cl 2297488385 YURXCHDZCGECAM-UHFFFAOYSA-N 499.357 7.138 50 10 JKGE C[C@@H]1C[C@@H]([C@H](Br)c2cc(Br)ccc2OCc2ccccc2)CCO1 2299488858 KJYOYYALKVXROE-IIMJZQEZSA-N 454.202 6.279 50 10 JKGE Brc1ccc(OCc2ccccc2)c2c1[C@@H](Br)C[C@@H](C1CC1)CC2 2299517609 MNSSTRHREMXRTN-LPHOPBHVSA-N 450.214 6.827 50 10 JKGE Brc1ccc(OCc2ccccc2)c([C@H](Br)CC2C[C@H]3C[C@@H]3C2)c1 2299531538 WVNVHKQLYDPMHB-ABSDTBQOSA-N 450.214 6.900 50 10 JKGE Cc1nc(Br)c([C@@H](Br)c2cc(Cl)c(Br)s2)n1C 2300292244 IJVHKUVXKBUNKS-ZETCQYMHSA-N 463.420 5.453 50 10 JKGE N#CC(=Cc1ccc(OCc2ccc(Br)cc2)cc1)C(=O)Nc1ccc(F)cc1 2313540608 JXPMWKYVZLAUIW-UHFFFAOYSA-N 451.295 5.713 50 10 JKGE CCOc1cc(C=C(C#N)C(=O)Nc2cccc(C)c2C)ccc1OCc1ccc(Cl)c(Cl)c1 2313667729 UFAQKIXPGDIZHX-UHFFFAOYSA-N 495.406 7.134 50 10 JKGE FC(F)(F)CC1([C@H](Br)c2cc(Br)ccc2OCc2ccccc2)CC1 2314440402 PGENKTHCTPVJQA-QGZVFWFLSA-N 478.146 7.197 50 10 JKGE Fc1cccc([C@H](Cl)c2cc(Br)ccc2OCc2ccccc2)c1Br 2314450041 VNNJFZSZTCNMIL-FQEVSTJZSA-N 484.590 7.258 50 10 JKGE CCOC(=O)c1c(NC(=O)C(C#N)=Cc2ccc(-c3ccc(Br)cc3)o2)sc(C)c1C 2314571974 PQKKHMWBUUUXJV-UHFFFAOYSA-N 499.386 6.110 50 10 JKGE CCCCCOc1ccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)C=Cc4ccc(C)cc4)ccc32)cc1 2314640681 LTXQGIQRZHZLKD-SSEXGKCCSA-N 494.591 6.401 50 10 JKGE COCc1ccc([C@@H](Br)c2c(Br)cccc2Br)s1 2315104077 CXBBVCKCENTSOS-CYBMUJFWSA-N 455.009 5.904 50 10 JKGE Fc1c(Br)cc(Cl)c([C@H](Br)C2CC(F)(F)C2)c1Br 2315445385 LWIDBEPUMPZROP-MRVPVSSYSA-N 471.336 6.485 50 10 JKGE COc1cc(F)c([C@@H](Br)c2cnsc2Br)cc1Br 2315617243 OFBZRBLCUSXGRX-SNVBAGLBSA-N 459.960 5.300 50 10 JKGE Clc1ccccc1C[C@@H](CBr)Cc1sccc1I 2316737453 XTWHACHSSADUTA-SNVBAGLBSA-N 455.586 5.802 50 10 JKGE Cc1scc([C@H](Br)c2cc3sc(Br)cc3s2)c1Br 2320489125 AXHQWFKXTDDVQV-LBPRGKRZSA-N 487.101 7.342 50 10 JKGE CCOc1ccc(CCNC=C(C#N)C(=O)N[C@@H](CC)c2ccc3c(c2)CCCC3)cc1OCC 2325092538 JVPNQNVILPTTSW-SANMLTNESA-N 475.633 5.170 50 10 JKGE COc1ccc(C=CC(=O)NCc2ccc(OC(=O)Nc3ccc(SC#N)cc3)cc2)cc1OC 2329315750 WCYCGCADFXOYKN-UHFFFAOYSA-N 489.553 5.217 50 10 JKGE CCn1c(C(C#N)=Cc2ccc(OCc3ccc(Br)cc3)cc2)nc2ccccc21 2331071663 BTPWVKJBADREKA-UHFFFAOYSA-N 458.359 6.462 50 10 JKGE C[C@H](Oc1ccc(Cl)cc1Cl)C(O)=C(C#N)c1nc(-c2ccc(Cl)cc2Cl)cs1 2331254612 GHRJVNSFIXQEQF-JTQLQIEISA-N 486.207 7.684 50 10 JKGE Cc1ccc(-c2csc(C(C#N)=C(O)c3ccc4c(c3)C(=O)N(Cc3ccccn3)C4=O)n2)cc1 2331312284 CBZWCNQXTSJEFI-UHFFFAOYSA-N 478.533 5.260 50 10 JKGE CCCOc1ccc(-c2csc(C(C#N)=C(O)[C@H](C)N3C(=O)c4ccccc4C3=O)n2)cc1 2331318554 ZAFWALOMSZDSPJ-HNNXBMFYSA-N 459.527 5.076 50 10 JKGE CC[C@H](C)[C@H](C(O)=C(C#N)c1nc(-c2c[nH]c3ccccc23)cs1)N1C(=O)c2ccccc2C1=O 2331348998 IGPKTOCXNJZQIP-NPMXOYFQSA-N 482.565 5.795 50 10 JKGE CCCCCCCOc1ccc(-c2csc(C(C#N)=Cc3cc(OC)c(O)c(OC)c3)n2)cc1 2331460482 HKRBWDAWOYTCOC-UHFFFAOYSA-N 478.614 6.946 50 10 JKGE COc1cc(-c2csc(C(C#N)=Cc3cccc(Br)c3)n2)c(OC)cc1Cl 2331470780 JOQFGLQPTXDMFK-UHFFFAOYSA-N 461.768 6.307 50 10 JKGE Fc1cc([C@@H](Cl)c2ccc(OCc3ccccc3)cc2Br)c(F)cc1Cl 2336080612 LFRNPWBVKKBXJG-FQEVSTJZSA-N 458.129 7.288 50 10 JKGE Cc1c(Cl)sc(Cl)c1[C@@H](Br)c1cc(Br)c(F)cc1Cl 2336088288 DWZXNXXPHFDYQH-JTQLQIEISA-N 467.412 7.403 50 10 JKGE Fc1c(Br)cc(Cl)c([C@H](Br)[C@H]2[C@H]3C[C@@H]4[C@H]2[C@@H]4C3)c1Br 2337106110 FFBCCWCTJAHZCO-FBSQSGQNSA-N 473.405 6.342 50 10 JKGE FC(F)Oc1ccc([C@H](Br)c2sc(Cl)cc2I)cc1 2338558906 QEPYOXMYDCXKJY-JTQLQIEISA-N 479.511 6.092 50 10 JKGE ClCc1csc(CCCOc2cc(Br)cc(I)c2)n1 2338887920 XCBOLGKPFHFPQV-UHFFFAOYSA-N 472.573 5.261 50 10 JKGE Cc1cc(Br)c(F)c(Br)c1[C@H](Br)[C@]12CO[C@](C)(C1)C2 2339659724 WAJQTWAPWVMRRW-IHRRRGAJSA-N 456.975 5.664 50 10 JKGE Cc1cc(Br)c(F)c(Br)c1[C@@H](Br)C12CC(C1)[C@H](C)O2 2339683363 CEOOBSDIPVOQDQ-LFNYIXNVSA-N 456.975 5.663 50 10 JKGE Clc1ccc(I)cc1CC1(CBr)CC2(CCCC2)C1 2352418606 YDFYQKGZWXZQFI-UHFFFAOYSA-N 453.589 6.223 50 10 JKGE CCc1cc(Br)c(OC)c([C@@H](Br)c2csnc2Br)c1 2353042801 GIXBKEXCUOFUNB-LLVKDONJSA-N 470.024 5.723 50 10 JKGE Cc1cc(Br)c(C)c([C@@H](Br)[C@H]2OC[C@@H]3CCC[C@H]23)c1Br 2358467650 BURZAWNAYRMBAW-QMMBQJITSA-N 467.039 6.080 50 10 JKGE COc1cc(Cl)c(CCl)c(Oc2cc(Br)cc(I)c2)c1 2365772468 GLUNXKHXLVFHIY-UHFFFAOYSA-N 487.946 6.247 50 10 JKGE O=C(c1cc(Br)sc1Br)N1CCC[C@H](Br)[C@@H]1C(F)(F)F 2370243901 WAKNDKHGGYGYGC-POYBYMJQSA-N 499.972 5.204 50 10 JKGE COc1ncc(Br)c(C)c1C[C@@H](Br)c1cccc(Br)c1 2370560270 HAOPGSKFKRJCCD-CYBMUJFWSA-N 463.995 5.602 50 10 JKGE CC(C)(C)OCCCC(CBr)(CBr)c1ccc(Br)cc1 2371557688 YQDLPJUKOMVDKC-UHFFFAOYSA-N 471.071 6.072 50 10 JKGE CC[C@@H](Oc1ccccc1[C@H](C)CC)C(=O)NNC(=O)CCCOc1ccc(Cl)cc1Cl 10683343 ZMYMODRCPJGJBZ-OXQOHEQNSA-N 481.420 5.671 50 10 JKGE CCn1c2ccccc2c2cc(/C=N/NC(=O)c3ccc(NC(=O)c4ccccc4C)cc3)ccc21 12578640 HJOQJITUHMIGRC-ZCTHSVRISA-N 474.564 6.139 50 10 JKGE COc1ccc(/C=N/NC(=O)CSc2nc(=O)c3c(-c4ccc(C(C)C)cc4)csc3[nH]2)cc1 19651455 YWJYHGBELLUIKS-RPPGKUMJSA-N 492.626 5.026 50 10 JKGE C/C(=N\NC(=O)c1ccccc1[N+](=O)[O-])c1ccc(OCc2ccc(Br)cc2)cc1 20159330 VWVGKNZVJZTQTO-BUVRLJJBSA-N 468.307 5.090 50 10 JKGE N#C/C(=C/c1ccccc1Cl)C(=O)Nc1ccc(NC(=O)/C(C#N)=C\c2ccccc2Cl)cc1 33343088 AETZQXQYFNFTGV-AXPXABNXSA-N 487.346 6.085 50 10 JKGE N#C/C(=C/c1ccc(OC(=O)c2ccc(Br)cc2)cc1)C(=O)Nc1ccc([N+](=O)[O-])cc1 33930324 HMRCBGAUMUYYJA-LGMDPLHJSA-N 492.285 5.122 50 10 JKGE N#C/C(=C\c1cn(-c2ccccc2)nc1-c1ccc2ccccc2c1)c1nc(O)c2ccccc2n1 34988453 ZXEQWCXCTUAZFU-HAVVHWLPSA-N 465.516 6.405 50 10 JKGE CC(C)N(CC(=O)N1c2ccccc2-n2cccc2[C@@H]1c1ccco1)C(=O)C(C)(C)CCl 35706847 MYBVZXQOFZNOKG-HSZRJFAPSA-N 453.970 5.008 50 10 JKGE CC(C)(C)c1ccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)COc4ccc([N+](=O)[O-])cc4)ccc32)cc1 38649766 QDHJLILIYFSFHO-SANMLTNESA-N 499.523 5.095 50 10 JKGE CCOc1ccccc1[C@H]1C(C#N)=C(N)Oc2cc(OC(=O)c3ccc(Br)cc3)ccc21 38650445 AKZSDKQJSZCKRZ-HSZRJFAPSA-N 491.341 5.285 50 10 JKGE CCCCOc1ccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4ccccc4C)ccc32)cc1 38650748 HWJHHLOLUXHWHY-SANMLTNESA-N 454.526 5.611 50 10 JKGE CCCCOc1ccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4ccc(Cl)cc4)ccc32)cc1 38650759 PHZOUYIFDBFVKT-RUZDIDTESA-N 474.944 5.956 50 10 JKGE Cc1ccccc1C(=O)Oc1ccc2c(c1)OC(N)=C(C#N)[C@H]2c1ccc(OCc2ccccc2)cc1 38650898 JUROCGQZABOEGI-LJAQVGFWSA-N 488.543 6.011 50 10 JKGE N#CC1=C(N)Oc2cc(OC(=O)COc3ccccc3Cl)ccc2[C@@H]1c1ccc(Cl)cc1 38651354 JNKVLUMEPOJQOI-QHCPKHFHSA-N 467.308 5.196 50 10 JKGE CCCCOc1ccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4ccccc4F)ccc32)cc1OC 38660176 FPLRKLOVDZXGOT-AREMUKBSSA-N 488.515 5.451 50 10 JKGE CCCCOc1cccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4cccc([N+](=O)[O-])c4)ccc32)c1 38685259 RDYQYVBUEULPAH-RUZDIDTESA-N 485.496 5.211 50 10 JKGE Cc1c(C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@@H]3c2ccc(C(C)C)cc2)oc2ccccc12 38687061 RZEARWSEIINBPB-AREMUKBSSA-N 464.521 6.302 50 10 JKGE CCc1ccc2oc(C(=O)Oc3ccc4c(c3)OC(N)=C(C#N)[C@@H]4c3ccc(OC)cc3)c(C)c2c1 38687395 IMHUZVFRLNTQFO-AREMUKBSSA-N 480.520 5.750 50 10 JKGE O=C(CCCc1c(-c2ccccn2)[nH]c2ccc(Cl)cc12)NN(c1ccccc1)c1ccccc1 39852717 BZOAYKKVDILKSA-UHFFFAOYSA-N 480.999 7.076 50 10 JKGE CCOc1ccccc1/C=N/NC(=O)COc1ccc(-c2ccccc2)cc1Br 40910773 FWTQZHPXGXZKIH-MFKUBSTISA-N 453.336 5.044 50 10 JKGE CCOc1ccc(Br)cc1/C=N/NC(=O)[C@@H](C)Oc1cc(C)c(Cl)c(C)c1 40960419 BYDDDQZXZARCET-YTRQYYDFSA-N 453.764 5.036 50 10 JKGE Cc1ccc(-n2nc(C)c(/C=N/NC(=O)CN(Cc3ccccc3)Cc3ccccc3)c2C)c(C)c1 59167141 VOKPCCRRQFLGIJ-FDAWAROLSA-N 479.628 5.258 50 10 JKGE COC(=O)c1c(/N=C/c2cc(Br)c(OC)cc2OC)sc(/C(C)=C/C#N)c1C 59461128 YAOKOQOKWBXXRX-RYSCCBQFSA-N 463.353 5.300 50 10 JKGE Cc1ccc([C@@H](C(=O)NC2CCC(C)CC2)N(CCc2ccc(Cl)cc2)C(=O)CCl)cc1 97914729 JXHCALTYTQNYAH-XSIDSBFUSA-N 475.460 5.695 50 10 JKGE COc1ccc(-c2nn(-c3ccccc3)cc2/C=C(/C#N)c2nnc(-c3ccccc3)n2C)cc1 108967816 JAKMWGPAYLXZAQ-XLNRJJMWSA-N 458.525 5.408 50 10 JKGE C[C@H](Cl)c1nc2cc(Br)ccc2n1-c1cc(Br)ccc1Br 110428367 CWNIEKAZNQBUQG-QMMMGPOBSA-N 493.424 6.613 50 10 JKGE Cc1cccc(C(CBr)(CBr)Cc2cccc(Br)c2)c1 118877540 XDYDIAWKHJHVKS-UHFFFAOYSA-N 461.035 6.028 50 10 JKGE CCOc1cc(Cl)c([C@H](Br)c2cc(Br)ccc2Cl)cc1Cl 164555949 GOOZMTUVZVIOAU-OAHLLOKOSA-N 473.419 7.292 50 10 JKGE C[C@H]1CCc2[nH]c3ccc(C(=O)N/N=C\c4ccc(OC(=O)c5cccs5)cc4)cc3c2C1 169891433 ISJGVFFKAOPLIV-DGLVQCRBSA-N 457.555 5.337 50 10 JKGE COc1cc(/C=C(/C#N)c2nc3cc(C)ccc3[nH]2)cc([N+](=O)[O-])c1OCc1ccccc1C 169939601 KGXXWNOADBJTBJ-JAIQZWGSSA-N 454.486 5.740 50 10 JKGE N#C/C(=C/Nc1cc(C(F)(F)F)cc(C(F)(F)F)c1)C(=O)Nc1cccc2c(O)cccc12 217074513 MOJKCRNHJZSOLD-QXMHVHEDSA-N 465.353 6.041 50 10 JKGE Cc1ccc(NC(=O)/C(C#N)=C\N2CCN(C(c3ccccc3)c3ccccc3)CC2)c(C)c1 217245028 LLXYZJYDDJACDF-QLYXXIJNSA-N 450.586 5.057 50 10 JKGE ClCc1nc2cc(I)ccc2n1CCc1ccc(Br)s1 226300531 HSSFSLOBXQBQTD-UHFFFAOYSA-N 481.584 5.446 50 10 JKGE Clc1sc([C@H](Cl)c2cc(Br)ccc2Br)cc1Br 227839081 PIQWUKHMXMMLDR-SNVBAGLBSA-N 479.846 7.017 50 10 JKGE COc1cc(F)c(Br)cc1[C@@H](Br)c1ccccc1I 234867801 QADOVXNIYLRNCG-AWEZNQCLSA-N 499.943 5.686 50 10 JKGE COc1cc(Br)c(Oc2ncccc2CBr)cc1Br 234921304 NGYYBNIDBGTJRM-UHFFFAOYSA-N 451.940 5.302 50 10 JKGE O=C(Nc1ccc(CCCl)cc1)c1cc(Br)ccc1I 236016010 KYFJJLRTURRZBW-UHFFFAOYSA-N 464.528 5.087 50 10 JKGE O=C(CSc1nc2ccccc2s1)NN=Cc1ccccc1OCc1ccc([N+](=O)[O-])cc1 254592594 GHBOGMIZDMEJKE-UHFFFAOYSA-N 478.555 5.026 50 10 JKGE C[C@@H]1CC[C@@H](Oc2c(Br)cc(CBr)cc2Br)C[C@H]1C 300443131 YUUROVYHVWOBPX-CKYFFXLPSA-N 455.028 6.310 50 10 JKGE BrCc1c(I)c(I)cc2sccc12 307106026 JEQFLZZJHJGLTA-UHFFFAOYSA-N 478.918 5.005 50 10 JKGE FC(F)(F)COCC[C@@H](Br)c1scc(C(F)(F)F)c1Br 380202451 FHIOMXXRDNFKPK-ZCFIWIBFSA-N 450.036 5.934 50 10 JKGE C[C@@H](Br)C[C@@H]1CCCCN1C(=O)c1cc(Br)ccc1Br 380208984 GNYTTWHUOACNDN-PWSUYJOCSA-N 468.027 5.380 50 10 JKGE Cc1nn(C)c(COc2c(Br)cc(Br)cc2CCl)c1Br 380412752 URAIWPXROBYYAS-UHFFFAOYSA-N 487.417 5.334 50 10 JKGE CC(C)(C)OC(=O)N1C[C@H](CI)[C@H](c2ccc(Cl)c(Cl)c2)C1 382687148 GHKFYEJBOWYYDV-RYUDHWBXSA-N 456.151 5.379 50 10 JKGE Fc1cc([C@@H](Br)c2cc(Cl)ccc2I)c(F)c(F)c1F 395600138 BGHATBSJCKMBSQ-JTQLQIEISA-N 479.436 5.985 50 10 JKGE Fc1cc(Br)c([C@@H](Br)c2ccc(Br)c(Cl)c2)c(F)c1F 398740813 QIBAGZSOYIQADJ-NSHDSACASA-N 493.342 6.767 50 10 JKGE CCOc1ccc([C@H](Br)c2cscc2Br)cc1Br 404701386 FJFXDZHNHOVCQB-ZDUSSCGKSA-N 455.009 6.156 50 10 JKGE CC(C)(C)OC(=O)Nc1cccc([C@@H]2c3ccccc3CCN2CCO[Si](C)(C)C(C)(C)C)c1 616587648 ZTONWKWUHITEMG-RUZDIDTESA-N 482.741 7.003 50 10 JKGE COCc1cc(Br)c([C@@H](Br)c2cc(Cl)sc2Cl)s1 688087490 UBCCJBPMSYACFM-VIFPVBQESA-N 451.032 6.510 50 10 JKGE BrCC(CBr)(CC12CC(CO1)C2)c1ccc(Br)cc1 716059934 FBIJNQLNBFTPDV-UHFFFAOYSA-N 453.012 5.046 50 10 JKGE COc1ccc(Cl)cc1NC(=O)C(=O)NN=Cc1cc(C)n(-c2cc(Cl)ccc2Cl)c1C 725414940 OKFQQAAMPDAATC-UHFFFAOYSA-N 493.778 5.152 50 10 JKGE CC(=NNC(=O)c1ccccc1O)c1ccc2c(c1)[C@@H]1C=CC[C@@H]1[C@H](c1ccccc1Cl)N2 1083875129 XOQXTNQWHVPATJ-UYXZNNOOSA-N 457.961 6.026 50 10 JKGE Cc1ccccc1C(=O)NN=Cc1ccc(Sc2nnc(-c3ccccc3)n2-c2ccccc2)o1 1083963509 YOBNJMWDDBFDKJ-UHFFFAOYSA-N 479.565 5.751 50 10 JKGE CCCCC(C)=NNC(=O)COc1ccc2cc(Br)ccc2c1Br 1084193161 MCPVYNGPZNKSNB-UHFFFAOYSA-N 456.178 5.426 50 10 JKGE COc1cc(C=NNC(=O)c2cc3ccccc3o2)cc(Br)c1OCc1ccccc1 1084387333 ISTBWNASDXGPPY-UHFFFAOYSA-N 479.330 5.547 50 10 JKGE COc1cc(C=NNC(=O)c2ccc([N+](=O)[O-])cc2)ccc1OCc1cccc2ccccc12 1084567070 KQTJAYKWAVKMCL-UHFFFAOYSA-N 455.470 5.100 50 10 JKGE Cc1ccc(NC(=O)c2oc3c(c2C)C(=NNC(=O)c2ccc(Br)cc2)CCC3)cc1C 1772743687 IRBUHCVHTSYXOJ-UHFFFAOYSA-N 494.389 5.690 50 10 JKGE Cc1ccc(C(=O)NN=C2CCCc3oc(C(=O)Nc4ccc(Oc5ccccc5)cc4)c(C)c32)cc1 1772745381 ZPMOGEAKTRTYAX-UHFFFAOYSA-N 493.563 6.411 50 10 JKGE Cc1ccccc1NC(=O)c1oc2c(c1C)C(=NNC(=O)c1ccc3ccccc3n1)CCC2 1772751157 JJTWRTNAMWDMRC-UHFFFAOYSA-N 452.514 5.167 50 10 JKGE COc1ccc([C@H]2C(C#N)=C(N)Oc3c2c(-c2ccccc2)nn3-c2ccccc2Cl)cc1O 1865682557 RJUPYVHJOLPBFN-QFIPXVFZSA-N 470.916 5.125 50 10 JKGE COc1ccc(-n2nc(C(F)(F)F)c3c2OC(N)=C(C#N)[C@H]3c2ccc(Cl)cc2Cl)cc1 1865685679 LULUBTZDBNGKSJ-MRXNPFEDSA-N 481.261 5.425 50 10 JKGE CCc1nn(Cc2cccc(F)c2)c2c1[C@@H](c1ccc(OCc3ccccc3)cc1)C(C#N)=C(N)O2 1865690663 YHOXGHOCOXAYOA-SANMLTNESA-N 480.543 5.430 50 10 JKGE CCCOc1cccc([C@@H]2C(C#N)=C(N)Oc3c2c(C(F)(F)F)nn3Cc2ccc(Cl)cc2)c1 1865693517 KGCOQFBWTIUJAE-LJQANCHMSA-N 488.897 5.611 50 10 JKGE Cc1ccsc1[C@@H]1C(C#N)=C(N)Oc2c1c(-c1ccccc1)nn2Cc1ccccc1Cl 1865699407 SWAVZTUWIZMMSG-HXUWFJFHSA-N 458.974 5.840 50 10 JKGE COc1ccc(-c2nn(-c3ccc(OC)cc3)c3c2[C@H](c2c[nH]c4ccccc24)C(C#N)=C(N)O3)cc1 1865700133 LNCXFIMGFXAALM-VWLOTQADSA-N 489.535 5.256 50 10 JKGE CCc1nn(Cc2cccc(Cl)c2)c2c1[C@@H](c1cc(Br)ccc1F)C(C#N)=C(N)O2 1865701986 JYKNVXGUWSBBMG-IBGZPJMESA-N 487.760 5.267 50 10 JKGE CCc1nn(CC(C)C)c2c1[C@@H](c1cccc(OC)c1OCc1cccc(C)c1)C(C#N)=C(N)O2 1865705764 FFHQAIXJJCENAB-DEOSSOPVSA-N 472.589 5.216 50 10 JKGE CCc1ccc([C@@H]2C(C#N)=C(N)Oc3c2c(-c2ccccc2)nn3-c2cccc(Cl)c2)cc1 1865709278 SSLVOLIYBYDVNN-HSZRJFAPSA-N 452.945 5.973 50 10 JKGE COCCN1[C@@H](C)CN(c2cc(Nc3ccc(SC#N)cc3)nc(-c3ccccc3)n2)C[C@H]1C 1868365765 XBMKHZQSKFAHKO-BGYRXZFFSA-N 474.634 5.006 50 10 JKGE Cc1nc(Nc2ccc(SC#N)cc2)cc(N2CCC[C@H]2Cc2ccc(Br)cc2)n1 1868480260 JIEFSPIJSXRJKG-FQEVSTJZSA-N 480.435 6.076 50 10 JKGE CCOc1ccc(-c2nc(Nc3ccc(SC#N)cc3)cc(N3CCC[C@@H](CO)C3)n2)cc1 1868528208 PTGVWPJROIRHBN-GOSISDBHSA-N 461.591 5.068 50 10 JKGE COc1ccc(/C=C2\Oc3c(ccc(OCc4cccc(CCl)c4)c3C)C2=O)c(OC)c1 1871437075 HTSBENPZVDPODB-MSXFZWOLSA-N 450.918 5.946 50 10 JKGE CSCC[C@H](/C(O)=C(\C#N)c1nc(-c2cccc(Cl)c2)cs1)N1C(=O)c2ccccc2C1=O 1872748400 VVHFUEHZNGTWOI-HWCXCKHPSA-N 496.013 5.674 50 10 JKGE CCc1cccc(CC)c1N1C[C@@H](/C(O)=C(\C#N)c2nc(-c3cccc4ccccc34)cs2)CC1=O 1872752067 LUOACMJRWZTXMY-DCBAJMHUSA-N 493.632 6.934 50 10 JKGE COc1c(Cl)cc(Cl)cc1-c1csc(/C(C#N)=C(\O)c2cccc(OC(C)=O)c2)n1 1872754341 OCPOYJLSASQLIP-MNDPQUGUSA-N 461.326 6.001 50 10 JKGE Clc1cc(I)c([C@@H](Br)c2cc(Cl)c(Cl)s2)s1 1901029043 QRPMCFVCMZVDJK-ZETCQYMHSA-N 488.424 6.859 50 10 JKGE CC(C)(CI)COCc1c(Br)cccc1Br 1904662203 YAERMRASXQFGRS-UHFFFAOYSA-N 461.963 5.189 50 10 JKGE CC[C@@H](Br)CN(Cc1ccccc1)C(=O)c1c(Br)cccc1OC 1915080216 JSVXPHSOXNOWET-OAHLLOKOSA-N 455.190 5.274 50 10 JKGE Cc1ccc(Br)cc1C(=O)N(Cc1ccccc1)[C@@H](CBr)C(C)C 1915297023 BAXHEIUBEHMKEG-IBGZPJMESA-N 453.218 5.819 50 10 JKGE Clc1c(Br)sc(Br)c1[C@H](Br)C[C@@H]1CC[C@H]2C[C@@H]21 1923066895 WKEXTZZUCQLLHD-DKXJUACHSA-N 463.460 6.799 50 10 JKGE CC1([C@@H](Br)c2c(Br)sc(Br)c2Cl)CCCCC1 1923072516 PGATUYRUSHNYOB-VIFPVBQESA-N 465.476 7.333 50 10 JKGE Fc1cc(Br)ccc1[C@@H](Br)c1c(Cl)sc(Br)c1Cl 1925586411 YWCXWMVJPSYVTR-MRVPVSSYSA-N 497.836 7.203 50 10 JKGE Cl[C@@H](c1cscc1OCc1ccccc1)c1sc(Br)cc1Br 1934829838 BDJGQVKMGHLGLP-HNNXBMFYSA-N 478.658 7.242 50 10 JKGE C[C@@H](CCBr)N(Cc1ccccc1)Cc1cc(Br)ccc1Br 1962461159 WMHYZUSERGGOGM-AWEZNQCLSA-N 490.077 6.387 50 10 JKGE Brc1ccc(I)c([C@@H](Br)Cc2nccs2)c1 1995156354 VREYAJOBRWBQLN-VIFPVBQESA-N 472.971 5.189 50 10 JKGE Clc1c(Br)sc(Br)c1[C@H](Br)[C@@]12CC[C@@H](CO1)C2 2021891240 QUFIMGJTRMZZMW-ZXHVRRQWSA-N 465.432 5.932 50 10 JKGE CCc1cc(Br)c([C@@H](Br)c2ccc(Cl)cc2Br)s1 2029232787 LZCLDKMFXGFFHY-LBPRGKRZSA-N 473.455 6.973 50 10 JKGE Brc1cccc(C[C@@H](Br)c2cccc(Br)c2Br)c1 2031486593 YGCYRQIJJVYEDC-CYBMUJFWSA-N 497.850 6.653 50 10 JKGE COc1sccc1[C@H](Br)c1cc(Br)c(C)cc1Br 2034650974 ARCKHXSMUZVVLG-LBPRGKRZSA-N 455.009 6.074 50 10 JKGE CC[C@@H]1CN(C(=O)OCc2ccccc2)[C@H](CC)CN1C[C@H](CBr)C1CCC1 2044626408 HFGAGUZVORKEEO-BHDDXSALSA-N 451.449 5.309 50 10 JKGE Fc1cc(Br)c([C@H](Br)c2csc(Br)c2)c(F)c1Cl 2081842465 BGDVMMWMBMNUNQ-SECBINFHSA-N 481.381 6.689 50 10 JKGE Cc1nc(C[C@H](Br)c2cc(Br)cc(Br)c2)sc1C 2085793969 YRUITJJAHRJZTP-LBPRGKRZSA-N 454.025 5.964 50 10 JKGE Brc1ccc(CN2CC[C@@H]3C[C@H](Br)CC[C@H]32)c(Br)c1 2092262068 WHHJJNQLDZBQDG-IXPVHAAZSA-N 452.028 5.350 50 10 JKGE Fc1ccccc1[C@H](CBr)Cc1c(Br)cccc1Br 2094095558 NNYVHKBGIPYXIV-JTQLQIEISA-N 450.971 6.072 50 10 JKGE C[C@@H](Br)C12CCC(CC1)N2C(=O)c1csc(Br)c1Br 2097071296 WUJGJWLGUYFLQY-UYVLXELHSA-N 472.040 5.194 50 10 JKGE C[C@H](Cl)c1nc2cc(I)c(F)cc2n1[C@@H]1CC[C@H]1OCc1ccccc1 2100140110 YXKLOPOTGBKMML-OEPMTFCVSA-N 484.740 6.000 50 10 JKGE CCC[C@@H](Br)c1cn(-c2ccc(Cl)c(I)c2Cl)nn1 2121063850 IKJSTBWNXZMAIH-SSDOTTSWSA-N 474.955 5.415 50 10 JKGE CCOC1CC([C@@H](Br)c2c(C)c(Br)cc(C)c2Br)C1 2136368422 FQVKAAGQVVKKHZ-QKFMDRJYSA-N 455.028 6.080 50 10 JKGE Brc1ccc([C@H](Br)c2cc3c(s2)CCSC3)c(Br)c1 2138850434 HKAAJCAALCHDGK-AWEZNQCLSA-N 483.088 6.547 50 10 JKGE Cc1c(Br)ccc([C@H](Br)C2CC(C(F)(F)F)C2)c1Br 2138873617 QFWKPGKGDHYLPS-WZQIAMPNSA-N 464.945 6.545 50 10 JKGE Cc1cc(F)c(F)cc1[C@@H](Br)c1c(Br)cccc1Br 2139629626 MBNGVOWFBMAWRD-CQSZACIVSA-N 454.934 6.283 50 10 JKGE O=[N+]([O-])c1cc(Oc2cccc(Br)c2CBr)ccc1Br 2146407791 FUSVMEDIARZJND-UHFFFAOYSA-N 465.923 5.807 50 10 JKGE BrC[C@@H]1CCC2(CCC2)CN1Cc1c(Br)cccc1Br 2152060531 ISOXCSKHDYXJNG-LBPRGKRZSA-N 466.055 5.741 50 10 JKGE FC(F)(F)Oc1ccc([C@H](Br)c2ccc(Br)s2)cc1Cl 2163399965 ZOJTVEOEHNKULY-NSHDSACASA-N 450.501 6.547 50 10 JKGE Clc1c(Br)cccc1C[C@@H](CBr)Cc1ccc(Br)cc1 2166824398 RCQJHTQPABELBX-LBPRGKRZSA-N 481.453 6.661 50 10 JKGE C[C@@H]1CN(C(=O)c2c(Br)cccc2Br)CC[C@@H]1CCBr 2172469846 ZFDAKIJBMWYLOY-MNOVXSKESA-N 468.027 5.095 50 10 JKGE O=C(NCC[C@@H]1CCCC[C@H]1Br)c1cc(Br)ccc1Br 2179637101 RTVWEJIBDLDXRR-GXFFZTMASA-N 468.027 5.285 50 10 JKGE Brc1ccc(Br)c([C@H](Br)[C@H]2C[C@@H]2C2CCCCCC2)c1 2199986189 DZICBRPAHYSMQZ-JKIFEVAISA-N 465.067 7.254 50 10 JKGE COc1cc(F)c([C@H](Br)c2cc(C)cc(Br)c2)cc1Br 2202901353 AVYDRJOGFIPQGZ-OAHLLOKOSA-N 466.970 6.152 50 10 JKGE Cc1c(Br)ccc([C@@H](Br)[C@@H]2C(F)(F)C23CCCC3)c1Br 2203682759 JFELJPPBFUIUCB-OLZOCXBDSA-N 472.993 6.782 50 10 JKGE Cc1c(Br)ccc([C@@H](Cl)Cc2c(Cl)cccc2Cl)c1Br 2203689358 YCXKCNJJQZIUMN-AWEZNQCLSA-N 457.420 7.349 50 10 JKGE COc1cc(Br)c([C@H](Br)c2ncsc2Br)cc1C 2220449126 XYTKBACGPSFUAR-JTQLQIEISA-N 455.997 5.469 50 10 JKGE Clc1cc(Br)c([C@H](Br)CC2CCOCC2)c(Cl)c1Cl 2224304314 IEAWUHMQZBNTLF-MRVPVSSYSA-N 451.413 6.662 50 10 JKGE Cc1c([C@H](Cl)c2cc(Br)c(Br)cc2F)c(Br)nn1C 2225617010 RJQIEGMUTSYUDE-LLVKDONJSA-N 475.381 5.483 50 10 JKGE Cc1c(F)ccc([C@H](Cl)c2cc(I)ccc2Br)c1F 2231076908 SVXOGEQCVAZMGG-ZDUSSCGKSA-N 457.483 5.969 50 10 JKGE Cc1cc(Br)c([C@@H](Br)[C@H]2CCCCC23CC3)c(C)c1Br 2235603325 INXHBDNXSFCYGL-WBMJQRKESA-N 465.067 7.235 50 10 JKGE Clc1c(Br)cccc1[C@@H](Br)c1ccc2c(c1Br)CCO2 2238083501 YXTDRVULHOXUAD-AWEZNQCLSA-N 481.409 6.284 50 10 JKGE CC(C)c1cc(Br)cc([C@@H](Br)c2ccc(Br)s2)c1 2254726503 JYTKDNYLOXRJEC-CQSZACIVSA-N 453.037 6.881 50 10 JKGE Fc1cccc(I)c1[C@H](Br)Cc1ccc(Br)cc1 2255894739 DXQROASMOYOMDS-LLVKDONJSA-N 483.944 5.872 50 10 JKGE C[C@H]1Cc2cc(Br)cc([C@H](Br)c3cocc3Br)c2O1 2270487586 GKRURNQYTHKUIH-CPFSXVBKSA-N 450.952 5.612 50 10 JKGE Cc1cc(Cl)c(Cl)cc1[C@@H](Br)c1c(Cl)sc(Br)c1Cl 2270960058 JNAKYPNNALFIKV-SECBINFHSA-N 483.867 7.917 50 10 JKGE CCC1CC(C[C@H](Br)c2c(F)cc(Br)c(F)c2Br)C1 2272720847 AOJXNJQPMLBNTE-HACHORDNSA-N 460.982 6.752 50 10 JKGE CC(C)C[C@@H]1C[C@@H]1[C@@H](Br)c1c(F)cc(Br)c(F)c1Br 2272730031 ARYSQSSJTCBUKT-RGNHYFCHSA-N 460.982 6.608 50 10 JKGE C[C@@H]1COCC[C@@H]1[C@@H](Br)c1c(F)cc(Br)c(F)c1Br 2272741410 UYDBYCDQENZFNP-PTZCXBDSSA-N 462.954 5.598 50 10 JKGE COc1cc(Cl)c(Cl)cc1[C@H](Br)c1ccc(I)c(C)c1 2279046409 IZPHELIQVUSITE-OAHLLOKOSA-N 485.974 6.399 50 10 JKGE CC(C)c1cc(Br)cc(C[C@H](Br)c2ccccc2Br)c1 2280691949 QIWFHJKQBINLNX-KRWDZBQOSA-N 461.035 7.014 50 10 JKGE C[C@H](c1ccncc1Br)[C@H](Br)c1cc(F)c(Br)cc1F 2282138681 PQIXUCTWVABOHO-UOWDBTKRSA-N 469.949 6.125 50 10 JKGE COc1ccc([C@H](Cl)c2cc(F)c(Br)cc2F)cc1I 2285013695 URWDRWKMLWWMFG-AWEZNQCLSA-N 473.482 5.669 50 10 JKGE Brc1cocc1[C@@H](Br)c1cc2c(cc1Br)OCCCO2 2285990092 RSOSXDSTAWOJTH-AWEZNQCLSA-N 466.951 5.450 50 10 JKGE C[C@@H](C1CCCCC1)[C@H](Br)c1c(F)cc(Br)c(F)c1Br 2288349631 RQKWDWWXZLKCQW-SDBXPKJASA-N 475.009 7.142 50 10 JKGE Cc1ccc(Cl)cc1NC(=O)C(C#N)=Cc1c(C)n(Cc2ccc(Cl)cc2)c2ccccc12 2294171974 OFVUPFLLRUSPFH-UHFFFAOYSA-N 474.391 7.159 50 10 JKGE COc1ccc([C@H](Cl)Cc2cc(Br)cc(Br)c2)cc1Br 2295274697 NIFPUGPKCDNWAD-CQSZACIVSA-N 483.425 6.505 50 10 JKGE Cn1cnc2sc([C@H](Br)Cc3cc(Br)cc(Br)c3)cc21 2295330572 XDCGCZFZVRISAU-LLVKDONJSA-N 479.035 5.839 50 10 JKGE Brc1cc(Br)cc(C[C@H](Br)[C@@H]2C[C@H]3COC[C@H](C3)C2)c1 2295332170 SPUDIUXZZRDKBP-VLXAULBPSA-N 467.039 5.580 50 10 JKGE COc1cc(OC)c([C@@H](Br)c2ccccc2Br)cc1Br 2295429859 FQYAVNCTWOVKEE-HNNXBMFYSA-N 464.979 5.713 50 10 JKGE Cc1cc(-c2nn(-c3ccccc3)cc2C=C(C#N)C(=O)N2CCOCC2)ccc1OCCC(C)C 2297455277 RYSNVAHSEQWKCP-UHFFFAOYSA-N 484.600 5.038 50 10 JKGE O=C(CN1CCn2c3c(c4cc(C5CCCCC5)ccc42)CCC[C@H]31)NN=CC=Cc1ccccc1 2297639343 LOCLHXKYHXMWRG-GDLZYMKVSA-N 480.656 6.197 50 10 JKGE Brc1ccc(OCc2ccccc2)c([C@H](Br)[C@@]23CCOC[C@H]2C3)c1 2299493431 GNJOXPPOKCCCKV-UIAACRFSSA-N 452.186 5.891 50 10 JKGE Brc1cc(OCc2ccccc2)ccc1[C@@H](Br)[C@@H]1CC12CCCC2 2299512482 ZTNSQBNJDOKHIE-AZUAARDMSA-N 450.214 7.044 50 10 JKGE Cc1csc([C@@H](Br)c2ccc(OCc3ccccc3)cc2Br)c1Cl 2299529429 BLVFGFORSNDGNM-KRWDZBQOSA-N 486.656 7.536 50 10 JKGE CC1(C)CC12CC([C@H](Br)c1cc(Br)ccc1OCc1ccccc1)C2 2314438832 BYDPXZRTLIGGFE-BRFBUHTJSA-N 464.241 7.290 50 10 JKGE FC1CC2(C1)CC([C@@H](Br)c1ccc(OCc3ccccc3)cc1Br)C2 2314486866 FTGJOLIKCHYISY-NEMYIBJQSA-N 468.204 6.992 50 10 JKGE N#CC(=Cc1cn(-c2ccccc2)nc1-c1cccc2ccccc12)c1nc(-c2cccs2)cs1 2314519463 PRFIRAPERMDZFF-UHFFFAOYSA-N 486.625 7.942 50 10 JKGE CCCCN1C(=O)C(=Cc2ccc(OCc3ccccc3Cl)c(OC)c2)C(C)=C(C#N)C1=O 2314610871 NOAFDOWLEUKMSZ-UHFFFAOYSA-N 464.949 5.320 50 10 JKGE Clc1cc(I)c([C@H](Br)C2C3(CCC3)C23CCC3)s1 2316596387 DRIKVUTUZKAGQV-JTQLQIEISA-N 457.602 6.413 50 10 JKGE CC(C)COc1c(Cl)cc(C=NNC(=O)c2ccc3[nH]c4c(c3c2)CCCC4)cc1Cl 2323150907 XBSAICXRJXRYGX-UHFFFAOYSA-N 458.389 6.152 50 10 JKGE COc1cccc(C=NNC(=O)c2nc(-c3ccccc3)sc2C)c1OCc1ccccc1 2323746221 YJBWUROCRUNBRC-UHFFFAOYSA-N 457.555 5.470 50 10 JKGE C[C@H](CCCCCBr)NCc1ccc(I)c(Br)c1 2325203903 JZOTYRCCJTXLDX-LLVKDONJSA-N 489.033 5.487 50 10 JKGE CC[C@H](C)[C@H](NC(=O)OC(C)(C)C)C(=O)NN=Cc1cccc(OCc2ccc(Cl)cc2)c1 2328821108 BIKJSKYVIQVRHK-JTSKRJEESA-N 474.001 5.309 50 10 JKGE CCOC(=O)c1c(-c2ccc3c(c2)CCCC3)csc1NC(=O)C(C#N)=Cc1ccc(Cl)cc1 2329654250 BYOXSUGZQPBUIW-UHFFFAOYSA-N 491.012 6.670 50 10 JKGE COc1cc(C=C(C#N)c2ccc(C(=O)OC(C)C)o2)ccc1OCC(=O)Nc1ccc(C)cc1C 2331049788 VWCWDSJRSKVFAW-UHFFFAOYSA-N 488.540 5.552 50 10 JKGE CCCCc1ccc(-c2csc(C(C#N)=C(O)[C@@H]3CC(=O)N(c4c(CC)cccc4CC)C3)n2)cc1 2331255836 FGOVKWMIPZAQPV-XMMPIXPASA-N 499.680 7.123 50 10 JKGE CCc1cccc(CC)c1N1C[C@@H](C(O)=C(C#N)c2nc(-c3ccc(OC)c(F)c3)cs2)CC1=O 2331336257 YXIOSWJKAIKNFK-IBGZPJMESA-N 491.588 5.928 50 10 JKGE C[C@H](c1ccccc1)N1C[C@@H](C(O)=C(C#N)c2nc(-c3ccc(F)c(F)c3)cs2)CC1=O 2331351929 NDFQZIUEIQWBCE-PBHICJAKSA-N 451.498 5.491 50 10 JKGE COc1ccc(OC)c(C=CC(O)=C(C#N)c2nc(-c3cc(Cl)ccc3Cl)cs2)c1 2331404461 IJEWREIFLNSGKG-UHFFFAOYSA-N 459.354 6.640 50 10 JKGE CCOc1cc(C=C(C#N)c2nc(-c3ccc(C)cc3C)cs2)cc(Br)c1O 2331443261 CYSOYGSMSQFKHA-UHFFFAOYSA-N 455.377 6.358 50 10 JKGE COc1cc(C)c(-c2csc(C(C#N)=Cc3cc(Cl)c(O)c(OC)c3)n2)cc1C(C)C 2331464302 WPKAQTVIRPKEOQ-UHFFFAOYSA-N 454.979 6.682 50 10 JKGE CCOc1ccc(C=C(C#N)c2nc(-c3cc(OC)c(Cl)cc3OC)cs2)cc1OCC 2331471009 DZAMODMBHKTGNL-UHFFFAOYSA-N 470.978 6.342 50 10 JKGE C[C@@H]1CCCN(Cc2ccc(Cl)cc2I)[C@H]1CCBr 2341044261 SGLFSVUUBRVSSZ-ABAIWWIYSA-N 456.593 5.330 50 10 JKGE Fc1cc(Cl)c(Br)c(Cl)c1[C@H](Cl)c1cccc(Cl)c1Br 2360489426 NXNFDPYTBOSTQS-GFCCVEGCSA-N 481.801 7.639 50 10 JKGE Fc1c(Br)cc(Cl)c([C@H](Br)[C@@H]2C[C@H]3O[C@H]2[C@H]2C[C@H]23)c1Br 2362226860 XIRSGOMNPFKAMC-GGVHHTSLSA-N 489.404 5.864 50 10 JKGE C[C@@](CBr)(OCc1cc(Br)cc(Br)c1)c1ccccc1 2362240221 OIXYELRTEMWTRC-INIZCTEOSA-N 463.007 6.039 50 10 JKGE Cc1cc(Br)c(F)c(Br)c1[C@@H](Br)C1(S(C)(=O)=O)CCC1 2365222732 GMQIUBXWRKDNHT-GFCCVEGCSA-N 493.030 5.062 50 10 JKGE COc1c(Br)cc(C)c([C@H](Br)C2[C@@H]3CCCC[C@@H]23)c1Br 2365230853 KGWQGGPKJBQSCU-RULNRJAQSA-N 467.039 6.401 50 10 JKGE FC1(F)C[C@@](CBr)(Cc2ccc(Cl)cc2I)C12CCC2 2366714066 FMTLKERAMMLASU-CYBMUJFWSA-N 475.542 6.078 50 10 JKGE CC(C)(C)OC(=O)N[C@]12CCC(F)(F)C[C@@H]1CN(C[C@H](CBr)C(C)(C)C)C2 2370149097 LZOOHJNKTWCYBQ-VCBZYWHSSA-N 453.412 5.058 50 10 JKGE Cc1ccc(CN(C(=O)CCl)[C@H](C(=O)N[C@H]2CCCC[C@@H]2C)c2ccccc2Cl)cc1 3035408 BQIIKOUUNUOSTL-OEOAZWSVSA-N 461.433 5.652 50 10 JKGE CCOc1cccc(NC(=O)/C(C#N)=C\c2cn(CC(=O)Nc3ccc(F)cc3)c3ccccc23)c1 4468579 OTHCGQIGVCNECU-RGEXLXHISA-N 482.515 5.363 50 10 JKGE CC(C)(C)c1ccc(C(=O)Nc2ccc(C(=O)NNC(=O)COc3ccc4ccccc4c3)cc2)cc1 12492024 LEIPJLCNDSUKLN-UHFFFAOYSA-N 495.579 5.230 50 10 JKGE CC(C)OC(=O)Oc1ccc(/C=C(C#N)/C(C#N)=C/c2ccc(OC(=O)OC(C)C)cc2)cc1 18060787 VWZUTFNCBGWYMX-JFMUQQRKSA-N 460.486 6.048 50 10 JKGE COc1cc(/C=C(/C#N)C(=O)Nc2ncc(Cc3ccc(F)cc3)s2)ccc1OCc1ccccc1 33285017 QLEKJAXDKZSTAJ-XKZIYDEJSA-N 499.567 6.006 50 10 JKGE N#C/C(=C\c1ccc(-c2c(Cl)cccc2Cl)o1)C(=O)Nc1cccc(C(F)(F)F)c1 33568445 RGIRMHJGGKONAA-FMIVXFBMSA-N 451.231 6.818 50 10 JKGE CC(C)(CCl)C(=O)N(CC(=O)N(Cc1ccccc1)Cc1cccs1)C1CCCCC1 33788146 IMCXKKQXICBHAP-UHFFFAOYSA-N 461.071 5.703 50 10 JKGE CCCOc1cccc(-c2nn(-c3ccccc3)cc2/C=C(\C#N)C(=O)NC2CCCCC2)c1 35446598 PDNANEFXVRXOLR-OQKWZONESA-N 454.574 5.684 50 10 JKGE CCCCCOc1ccc(C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@H]3c2ccc(C)cc2)cc1 38649227 POVZWXVFJMLOGC-MHZLTWQESA-N 468.553 6.001 50 10 JKGE CC(C)c1ccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4ccc(Br)cc4)ccc32)cc1 38649396 MPEHJQZMNUIPKL-DEOSSOPVSA-N 489.369 6.010 50 10 JKGE Cc1ccccc1C(=O)Oc1ccc2c(c1)OC(N)=C(C#N)[C@H]2c1ccc(Br)cc1 38651570 UQGWMMBENTVMEB-QFIPXVFZSA-N 461.315 5.195 50 10 JKGE Cc1ccc2c(Cl)c(C(=O)Oc3ccc4c(c3)OC(N)=C(C#N)[C@@H]4c3ccc(F)cc3)sc2c1 38688020 QLORBIBIPRJTES-JOCHJYFZSA-N 490.943 6.440 50 10 JKGE N#C/C(=C\c1ccc(-c2ccc([N+](=O)[O-])cc2Cl)o1)c1nc(-c2cccc([N+](=O)[O-])c2)cs1 39842925 UBWSGQFZGYBECY-NTEUORMPSA-N 478.873 6.604 50 10 JKGE COc1ccccc1NC(=S)NNC(=O)c1ccc(-c2cc(C(F)(F)F)ccc2Cl)o1 39892606 DBKMQYWXWHPFLJ-UHFFFAOYSA-N 469.872 5.259 50 10 JKGE Cc1ccc2cccc(OC(=O)c3oc4c(c3C)/C(=N/NC(=O)c3ccccc3C)CCC4)c2n1 40811553 QXFCTNHDAICQHG-MWAVMZGNSA-N 467.525 5.443 50 10 JKGE O=C(CCl)Nc1ccc2nc(S[C@@H](c3ccccc3)c3ccc(Cl)cc3)sc2c1 59432030 KZLJQEKVCISXJK-NRFANRHFSA-N 459.423 7.009 50 10 JKGE Cc1cc([C@H](Br)c2cc(Cl)c(Br)cc2F)ccc1Br 97895904 VNUVZLXRXYAWIL-AWEZNQCLSA-N 471.389 6.797 50 10 JKGE N#C/C(=C/Nc1ccc(Br)cc1)c1nc(-c2ccc(Cl)c(Cl)c2)cs1 100391293 DXXZKIZQVKPHKS-XFXZXTDPSA-N 451.176 6.856 50 10 JKGE CCCCCCCOc1ccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4ccccc4C)ccc32)cc1 101377614 JXZKRIUCQPQMTF-LJAQVGFWSA-N 496.607 6.782 50 10 JKGE CCCCCCCCCCOc1ccc(C(=O)N/N=C/c2ccc3c(c2)Cc2ccccc2-3)cc1 104995432 UDKNOCAUJSZSJZ-AWSUPERCSA-N 468.641 7.541 50 10 JKGE COc1cc(Br)c([C@H](Cl)c2ccc(I)cc2)cc1OC 109817088 IRWRQDVDBDWXAY-OAHLLOKOSA-N 467.528 5.399 50 10 JKGE CCOc1ccc([C@H](Br)c2c(F)cccc2Br)cc1Br 161229770 BOCJVZCMEVCARQ-HNNXBMFYSA-N 466.970 6.234 50 10 JKGE Clc1c(Br)cccc1[C@@H](Cl)c1cc(Br)sc1Br 228451390 ISFSSJHGDWXXEA-SECBINFHSA-N 479.846 7.017 50 10 JKGE CCCOc1ccc([C@H](Br)Cc2ccc(Br)cc2)cc1Br 229008844 DMNHVNHHIWTTAF-OAHLLOKOSA-N 477.034 6.679 50 10 JKGE COc1ccc(C[C@H](Cl)c2cc(Br)ccc2I)cc1 234941094 HRJQTXITMQYPFM-AWEZNQCLSA-N 451.529 5.585 50 10 JKGE Cl[C@H](Cc1ccc(Br)cc1)c1ccc(Br)cc1Br 236027912 FBDLANURTQFBQL-CQSZACIVSA-N 453.399 6.497 50 10 JKGE C[C@H]1CCCC(=NNC(=O)c2cccc(S(=O)(=O)Nc3cc(Cl)ccc3Cl)c2)C1 254567498 WKWZJTFCPXXFOU-ZDUSSCGKSA-N 454.379 5.090 50 10 JKGE Cc1ccc(C(C)C)c(OCC(=O)NN=Cc2c(OCc3ccc(F)cc3)ccc3ccccc23)c1 254793048 YLIZGXNNOJAYHV-UHFFFAOYSA-N 484.571 6.519 50 10 JKGE COc1ccc(C=NNC(=O)CSc2nnc(-c3ccc(C)cc3)n2C2CCCCC2)c(OC)c1 254869313 FPRHPJLRMDBFST-UHFFFAOYSA-N 493.633 5.018 50 10 JKGE CC(C)(C)CCOCC(CBr)(CBr)c1cccc(Br)c1 328304127 VFFLZOPIYUNNCW-UHFFFAOYSA-N 471.071 5.930 50 10 JKGE C[C@H](Cl)c1nc2cc(I)ccc2n1C(C)(C)CN(C)Cc1ccccc1 379603110 FAIDWDZKRUKCEF-HNNXBMFYSA-N 481.809 5.808 50 10 JKGE Cc1cc2c(cc1F)nc([C@H](C)Cl)n2CC1(N(Cc2ccccc2)Cc2ccccc2)COC1 705604318 KZGRGWNQKYVHRU-NRFANRHFSA-N 478.011 6.255 50 10 JKGE Cc1sc([C@H](Br)Cc2ccc(Br)cc2)c(C)c1Br 724928682 QPLVHGZYWLCKOO-GFCCVEGCSA-N 453.037 6.569 50 10 JKGE CCc1ccc(NC(=O)/C(C#N)=C\c2ccc(OCc3ccc(Br)cc3)cc2)cc1 1083939355 AKJPLBNVQIZHEU-QNGOZBTKSA-N 461.359 6.136 50 10 JKGE O=C(Cc1cccc2ccccc12)NN=Cc1ccc(OCc2ccc(Br)cc2)cc1 1084472115 RNPMVDNAGXIFJS-UHFFFAOYSA-N 473.370 5.874 50 10 JKGE Cc1ccccc1NC(=O)N(C(=O)Nc1ccccc1C)N(C(=O)c1ccccc1)C(C)(C)C 1088689664 ZIIVPUCOOREBEI-UHFFFAOYSA-N 458.562 6.225 50 10 JKGE Cc1ccc(NC(=O)c2oc3c(c2C)C(=NNC(=O)c2cccc4ccccc24)CCC3)c(C)c1 1772747595 JPOXPHYKODSWKD-UHFFFAOYSA-N 465.553 6.081 50 10 JKGE N#CC1=C(N)Oc2c(c(C(F)(F)F)nn2-c2ccc(Cl)c(Cl)c2)[C@H]1c1cccc(O)c1 1865681058 DEJYEPMCBGTWPW-HNNXBMFYSA-N 467.234 5.122 50 10 JKGE CCCc1nn(Cc2ccc(Cl)c(Cl)c2)c2c1[C@H](c1cccc(O)c1)C(C#N)=C(N)O2 1865681097 DYXNKZMSBKVCIV-HXUWFJFHSA-N 455.345 5.114 50 10 JKGE CCc1nn(-c2cccc3ccccc23)c2c1[C@@H](c1c(Cl)cccc1Cl)C(C#N)=C(N)O2 1865685752 MNLFZBDMIUHTKD-OAQYLSRUSA-N 461.352 6.113 50 10 JKGE Cc1cccc([C@H]2C(C#N)=C(N)Oc3c2c(-c2ccccc2)nn3Cc2ccc(Cl)c(Cl)c2)c1 1865710861 KDCICIGYCSQLSK-QHCPKHFHSA-N 487.390 6.432 50 10 JKGE CCCc1nn(Cc2ccc(C)cc2)c2c1[C@@H](c1cccc(OCc3ccccc3)c1)C(C#N)=C(N)O2 1865712289 UZIWAHHAFIPEGV-NDEPHWFRSA-N 490.607 5.990 50 10 JKGE C[C@@H](C(=O)N[C@H](CSCc1ccccc1)C(=O)Nc1ccc(SC#N)cc1)C1CCCC1 1867023100 ZMAVCTKPIYKTQH-WZONZLPQSA-N 467.660 5.443 50 10 JKGE CC(C)c1nc(Nc2ccc(SC#N)cc2)cc(N2CCC[C@H]2Cc2ccc(Cl)cc2)n1 1868231552 KHSGDFUSAHZSFJ-NRFANRHFSA-N 464.038 6.782 50 10 JKGE CCOc1ccc(-c2nc(Nc3ccc(SC#N)cc3)cc(N3[C@@H](C)COC[C@H]3C)n2)cc1 1868527914 KCWYJYWIAWZSCE-HDICACEKSA-N 461.591 5.473 50 10 JKGE COc1ccc(-c2csc(/C(C#N)=C(\O)[C@H](C)Oc3ccc(C(C)C)cc3)n2)cc1OC 1872745324 HQCGJEQTKYGRFQ-GFDWPABASA-N 450.560 6.211 50 10 JKGE CCOc1ccc(CC/C(O)=C(\C#N)c2nc(-c3ccc([N+](=O)[O-])cc3)cs2)cc1OC 1872747101 NKCUVAMHURKDSL-ZZEZOPTASA-N 451.504 5.551 50 10 JKGE COc1cc(Br)cc(/C=C(\C#N)c2nc(-c3ccc4c(c3)CCCC4)cs2)c1O 1872782692 PQLBYBSTGCBRIZ-GIJQJNRQSA-N 467.388 6.230 50 10 JKGE COc1cc(/C=C(\C#N)c2nc(-c3cc(Cl)cc(Cl)c3OC)cs2)cc(OC)c1OC 1872792592 HJBUTWWWYGCIKJ-WLRTZDKTSA-N 477.369 6.215 50 10 JKGE Cc1ccc(COc2ccc(/C=N/NC(=O)[C@H](Cc3ccccc3)NC(=O)OC(C)(C)C)cc2)cc1 1873793497 NAFXABCTJISTHX-SIMFPYGHSA-N 487.600 5.160 50 10 JKGE Brc1cc([C@H](Br)C2CC(Br)C2)c(Br)s1 1893068124 FFKMHWPEBQIRIN-MPKXYMLHSA-N 467.846 5.883 50 10 JKGE Brc1ccc([C@@H](Br)c2cnsc2Br)c(Br)c1 1900417691 ANJWWUBUNUMDPN-SECBINFHSA-N 490.840 5.915 50 10 JKGE CC[C@H](Br)CN(Cc1ccccc1)C(=O)c1cccc(OCc2ccccc2)c1 1915098783 LJVSZWQBHKKBLL-QHCPKHFHSA-N 452.392 6.082 50 10 JKGE Cc1cc([C@H](Br)c2cc(Br)c3c(c2)CCO3)oc1Br 1917617180 MUMVWVYAOMSLNQ-GFCCVEGCSA-N 450.952 5.532 50 10 JKGE COc1ccc([C@@H](Br)c2sc(Br)c(C)c2Br)cc1F 1922902613 SNARYEMQEDZUTP-LLVKDONJSA-N 472.999 6.214 50 10 JKGE Cc1c(Br)sc([C@H](Br)C[C@H](C)C(F)(F)F)c1Br 1922912749 QGIAEFNGMFALNB-UJURSFKZSA-N 458.963 6.606 50 10 JKGE COc1ccc(CC[C@H](Cl)c2c(Br)sc(Br)c2Cl)cc1 1923050123 QNIKGTVAGXGDJZ-JTQLQIEISA-N 459.030 6.848 50 10 JKGE Cl[C@@H](c1csc(Br)c1Br)c1sccc1Br 1930627745 IIJALWBQXOUQBT-ZETCQYMHSA-N 451.430 6.425 50 10 JKGE BrCc1cn(-c2cc(Br)c(Br)c(Br)c2)cn1 1938594989 XEHMGQYFSOZDQS-UHFFFAOYSA-N 473.788 5.055 50 10 JKGE Clc1cc(Br)c([C@H](Br)Cc2cccc(Br)c2)s1 1948829247 ROAVDZJRRUYYQQ-SECBINFHSA-N 459.428 6.605 50 10 JKGE Cc1sc(Br)c([C@@H](Br)c2cc(Br)c(Cl)s2)c1C 1951014618 MBYCAWPVSIWZDJ-VIFPVBQESA-N 479.484 7.089 50 10 JKGE O=S1(=O)CC[C@H]([C@H](Cl)c2ccc(OCc3ccccc3)c(OCc3ccccc3)c2)C1 2016681613 DJSLRQLOXZPRNE-WIOPSUGQSA-N 456.991 5.559 50 10 JKGE O=S(=O)(c1ccc(CBr)c(Br)c1)N(Cc1ccccc1)C1CCCC1 2059390656 RIIRAGXCYYJFCQ-UHFFFAOYSA-N 487.257 5.478 50 10 JKGE CCn1cc(Br)c([C@@H](Br)c2c(Cl)sc(Cl)c2Cl)n1 2060856728 VJSDSAQOCXIDAE-LURJTMIESA-N 453.414 6.172 50 10 JKGE Cc1c(Br)sc([C@H](Br)[C@@H]2C[C@H]2C2CCCC2)c1Br 2079394459 XNMIFHFYUOLXBV-HOSYDEDBSA-N 457.069 6.844 50 10 JKGE COc1ccc([C@@H](Br)c2cscc2OCc2ccccc2)c(Cl)c1Cl 2083139692 XMXFJIDELYILOT-QGZVFWFLSA-N 458.204 7.127 50 10 JKGE Cn1ncc(Br)c1CC(CBr)(CBr)C1CCCCC1 2087325385 NCFDJTYUJHNCFK-UHFFFAOYSA-N 457.048 5.082 50 10 JKGE Cn1nc(COc2cc(Br)ccc2CBr)c(Br)c1Cl 2096684960 VOWREBZBWVKKPO-UHFFFAOYSA-N 473.390 5.072 50 10 JKGE Fc1cc(Cl)c(Br)cc1[C@@H](Cl)c1cccc(Br)c1Br 2097829153 XDSSOBVWJKBGMB-ZDUSSCGKSA-N 491.807 7.095 50 10 JKGE Clc1ccc(COc2ccc(Br)cc2CBr)cc1Br 2110520801 YXWUXCGBCYGPFV-UHFFFAOYSA-N 469.398 6.339 50 10 JKGE CC[C@@H](Br)[C@@H]1CCCCN1C(=O)c1csc(Br)c1Br 2114191774 DBUNGWIHMYUKSK-ZJUUUORDSA-N 474.056 5.441 50 10 JKGE Fc1cc(Br)c([C@@H](Br)c2cc(Cl)sc2Cl)c(F)c1Cl 2136966440 JRGFKHHGFDJALA-QMMMGPOBSA-N 471.375 7.233 50 10 JKGE COc1c(Cl)cc(Br)cc1[C@H](Br)c1cc(C)c(Br)s1 2138243190 NSTLLMQGHFSBKM-NSHDSACASA-N 489.454 6.728 50 10 JKGE COc1c(Cl)cc(Br)cc1[C@@H](Br)c1cc(C)sc1Br 2138255098 YCGYZJLNZJOVQK-LLVKDONJSA-N 489.454 6.728 50 10 JKGE CC(C)(C)c1nc(-c2ccc(Br)cc2I)oc1CCl 2142284742 HFKIRRAUDGSZGF-UHFFFAOYSA-N 454.533 5.745 50 10 JKGE Clc1cc2c(c([C@H](Br)c3c(Br)cccc3Br)c1)OCC2 2150495348 WREPCKWXRALPKP-AWEZNQCLSA-N 481.409 6.284 50 10 JKGE CC(C)(C)OC(=O)N1CCC[C@H]([S@](C)(=O)=NCC2(CBr)CCCCCC2)C1 2163059197 RFSNROHKQRJXAG-SOKVYYICSA-N 465.498 5.219 50 10 JKGE CCOc1ccc([C@@H](Br)c2nn(C)c(Cl)c2Br)cc1Br 2167051598 WUHVMAMEPRLTLN-SNVBAGLBSA-N 487.417 5.482 50 10 JKGE C[C@H](Cl)c1nc2cc(Cl)c(Br)cc2n1[C@H]1CN(Cc2ccccc2)C[C@H]1C 2169012316 VCZQNUKPUXDARP-CKNLXJGOSA-N 467.238 6.445 50 10 JKGE Cc1cc(Br)c([C@H](Br)[C@@H]2[C@@H]3CCCC(F)(F)[C@H]32)cc1Br 2170808790 PZSAGVGZIZTGKS-IYMWITQMSA-N 472.993 6.637 50 10 JKGE C[C@](CI)(OCc1cc(Cl)ccc1Br)c1ccccc1 2200752339 NGGPINMXEVQOPH-MRXNPFEDSA-N 465.556 5.970 50 10 JKGE COc1cc2c(cc1Br)nc([C@H](C)Cl)n2CCCN(C)Cc1ccccc1 2202311245 CPWBGBYXIYYRMH-HNNXBMFYSA-N 450.808 5.629 50 10 JKGE COc1c(C)cc(Br)cc1[C@H](Br)c1cc(F)ccc1Br 2206573406 ZVQSZXHGABURAN-CQSZACIVSA-N 466.970 6.152 50 10 JKGE C=C(Cl)[C@@H](Br)Cc1sc(Br)c(Br)c1Br 2209974161 WQSSFIBEPIVFSH-BYPYZUCNSA-N 488.264 6.094 50 10 JKGE C[C@H]1C[C@H](c2sc(Br)c(Br)c2Br)C[C@H](Cl)C1 2212197523 FUCJAZQOOPIBOX-LYFYHCNISA-N 451.449 6.547 50 10 JKGE CC[C@](C)(CCCC(C)C)O[C@H]1CN(C(=O)OC(C)(C)C)C[C@H]1I 2213740665 MAWREEYZYUIMNW-JTDSTZFVSA-N 453.405 5.421 50 10 JKGE ClCc1nc2cc(Br)c(Br)cc2n1CCCCOCc1ccccc1 2218662499 VHKGGKAGDGWRTF-UHFFFAOYSA-N 486.635 6.297 50 10 JKGE Brc1ccc([C@@H](Br)C2C[C@H]3CCC[C@H](C2)C3)c(Br)c1 2225306559 TZQJYVOCVLBAEK-MMPTUQATSA-N 451.040 6.864 50 10 JKGE Fc1cc(Br)c(Br)cc1[C@@H](Cl)c1cccc(F)c1Br 2225632715 FATQNCONGDFHPS-ZDUSSCGKSA-N 475.352 6.581 50 10 JKGE Cc1cc(Br)c([C@H](Br)[C@H]2C[C@@]2(C)C(F)F)c(C)c1Br 2227350648 ILHHMAYYRHMPRC-IHPUGEDLSA-N 460.982 6.556 50 10 JKGE Cc1cc(Br)c([C@H](Br)[C@@H]2C[C@H]2C(C)(C)C)c(C)c1Br 2227360569 UDATURONYXJLIJ-UEKVPHQBSA-N 453.056 6.947 50 10 JKGE Clc1cc(Br)c([C@@H](Br)[C@H]2CCCCC23CC3)c(Cl)c1Cl 2232510812 IBNHATIQHXRFRA-PELKAZGASA-N 461.452 7.816 50 10 JKGE Fc1ccc(F)c([C@H](Br)c2c(Br)cc(Cl)c(Cl)c2Cl)c1 2232522065 WTGPTMWISDARTM-NSHDSACASA-N 465.346 7.172 50 10 JKGE Cc1ccc(Br)cc1[C@H](Br)c1c(F)cc(F)c(Br)c1F 2236109986 LDZWZTRXZXPTDP-LBPRGKRZSA-N 472.924 6.422 50 10 JKGE Cc1cc(Br)c([C@@H](Br)c2cc(Br)c3c(c2)CCCO3)s1 2237633564 NHEIIJGWBMBNAM-ZDUSSCGKSA-N 481.047 6.391 50 10 JKGE COc1ccc([C@H](Cl)c2ccc(I)cc2)c(Br)c1Cl 2268262325 SKEPETUEKDTISE-CYBMUJFWSA-N 471.947 6.044 50 10 JKGE COc1ccc(F)cc1[C@H](Br)c1ccc(Cl)c(I)c1 2268284563 SUDZCUYIZTXRHO-CQSZACIVSA-N 455.492 5.577 50 10 JKGE C[C@@H]1CC([C@H](Br)Cc2cc(Br)cc(Br)c2)C[C@@H](C)O1 2277962940 NYMTWPPIQPUKIP-IQMDTDKHSA-N 455.028 5.721 50 10 JKGE Fc1cccc([C@@H](Br)Cc2cc(Br)cc(Br)c2)c1Cl 2277966051 PNSCPPMSYSLJSM-LBPRGKRZSA-N 471.389 6.683 50 10 JKGE COC1([C@@H](Br)c2c(F)cc(Br)c(F)c2Br)CC(CF)C1 2288354803 OEZLKPGLPOSRKN-BZCBFNEHSA-N 480.944 5.691 50 10 JKGE CCCCCOc1ccc(C=C(C#N)C(=O)Nc2ncc(Cc3ccc(C)cc3)s2)cc1OC 2293038973 OJADKTYSSYCPPK-UHFFFAOYSA-N 475.614 6.166 50 10 JKGE CCOc1cc(C=C(C#N)C(=O)NCc2ccco2)ccc1OCc1ccc(Br)cc1 2295462126 YZHJYDHIAXMADS-UHFFFAOYSA-N 481.346 5.243 50 10 JKGE COc1ccc(C=C(C#N)c2nc(-c3cc4ccccc4oc3=O)cs2)cc1OCc1ccccc1 2296663447 QRBCBJGYXSLCPH-UHFFFAOYSA-N 492.556 6.568 50 10 JKGE N#CC(=Cc1ccc(-c2ccc(SC(F)F)cc2)o1)C(=O)Nc1nc2ccccc2s1 2297398969 OWCDZDIACGILPO-UHFFFAOYSA-N 453.495 6.417 50 10 JKGE Brc1cc(OCc2ccccc2)ccc1[C@H](Br)C[C@H]1C[C@@H]1C1CC1 2299503258 DIYSUUPTYUGRMX-NSISKUIASA-N 450.214 6.900 50 10 JKGE Cc1csc([C@@H](Br)c2cc(Br)ccc2OCc2ccccc2)c1C 2299529028 XRPQSOXAZXVQMT-IBGZPJMESA-N 466.238 7.191 50 10 JKGE CCOC(=O)C(C#N)=Cc1cn(-c2ccccc2)nc1-c1ccc(OCc2ccc(C)cc2)cc1 2314414625 GNBCJVGZJQXWMD-UHFFFAOYSA-N 463.537 5.897 50 10 JKGE CCOC(=O)C(C#N)=Cc1cn(-c2ccccc2)nc1-c1ccc(OCc2ccc(F)cc2)cc1 2314414789 MHOCYKRGIHSADO-UHFFFAOYSA-N 467.500 5.727 50 10 JKGE CCOC(=O)C(C#N)=Cc1cn(-c2ccccc2)nc1-c1ccc(OCc2ccc(Cl)cc2)cc1 2314415166 ZNRLOSKXLYUUFB-UHFFFAOYSA-N 483.955 6.242 50 10 JKGE CCCN[C@H](c1cc(Br)ccc1OCc1ccccc1)[C@H]1C[C@H](Br)C1 2314489867 LTQDQQRBCXXEMR-MDKPJZGXSA-N 467.245 6.242 50 10 JKGE Brc1ccc(OCc2ccccc2)c([C@H](Br)C2[C@H]3CCCCC[C@H]23)c1 2314503283 QUBFPBITECVACY-SPEDKVCISA-N 464.241 7.290 50 10 JKGE Cc1c(Cl)sc(Cl)c1[C@H](Cl)c1ccc(I)c(Cl)c1 2314515163 YMDCZZFQJSSWKC-SNVBAGLBSA-N 451.971 6.950 50 10 JKGE CCCCCCOc1ccc(C=C(C#N)C(=O)Nc2cccc(C(=O)OCCCC)c2)cc1OC 2314728850 NZHQMUMFBOMQBZ-UHFFFAOYSA-N 478.589 6.157 50 10 JKGE Fc1c(Br)cc(Cl)c([C@H](Cl)c2sncc2Br)c1Br 2315453122 JQXAXIZTLJVUFY-QMMMGPOBSA-N 498.824 6.551 50 10 JKGE COc1cc(C=NNC(=O)c2nc(-c3ccccc3)sc2C)ccc1OCc1ccccc1 2323745866 KDFADNXZYWPMIY-UHFFFAOYSA-N 457.555 5.470 50 10 JKGE ClC[C@H](NCc1ccc(I)c(Br)c1)c1cccs1 2325231180 SIZFKUDRUXOOQA-LBPRGKRZSA-N 456.574 5.185 50 10 JKGE CCc1ccc(OCCCC(O)=C(C#N)c2nc(-c3ccc(Cl)cc3Cl)cs2)cc1 2331254703 RGGBQEATHYEVBU-UHFFFAOYSA-N 459.398 7.331 50 10 JKGE N#CC(=C(O)CNC(=O)c1ccc(Cl)cc1Cl)c1nc(-c2ccc3c(c2)OCCO3)cs1 2331329971 DMZBDDVASQZXGH-UHFFFAOYSA-N 488.352 5.111 50 10 JKGE CCOc1ccc(C=C(C(O)=C(C#N)c2nc(-c3ccc4c(c3)OCO4)cs2)c2ccccc2)cc1 2331335948 ZNKRXYWMWLNJFQ-UHFFFAOYSA-N 494.572 6.971 50 10 JKGE C=CCOc1ccccc1OCC(O)=C(C#N)c1nc(-c2cc(Cl)ccc2OC)cs1 2331410985 AVEABJYSCHADLV-UHFFFAOYSA-N 454.935 5.909 50 10 JKGE COc1cc(C=C(C#N)c2nc(-c3ccc4c(c3)CCCC4)cs2)ccc1OC(=O)c1ccccc1 2331416677 LKEVDHPSOXLKAF-UHFFFAOYSA-N 492.600 6.981 50 10 JKGE COc1ccc(-c2csc(C(C#N)=Cc3cccc(OC)c3OCc3cccc(C)c3)n2)cc1C 2331429633 OIMNNPXQGICNNG-UHFFFAOYSA-N 482.605 7.087 50 10 JKGE N#CC(=Cc1ccc(OCc2ccc(Cl)cc2)cc1)c1nc(-c2cccc(Cl)c2)cs1 2331439683 BLUOOVINTYYJID-UHFFFAOYSA-N 463.389 7.760 50 10 JKGE Cc1cc(Br)c([C@@H](Br)[C@H]2[C@@H]3CCCO[C@@H]32)c(C)c1Br 2333708349 HIWVBZVDQVTFRI-FFFUXKDYSA-N 453.012 5.689 50 10 JKGE Fc1cc(Br)c(F)c(Br)c1[C@@H](Br)[C@@H]1C[C@H]2CC[C@@H]1C2 2334719402 GQFDDRAZVVEDKA-FCGKXJCRSA-N 458.966 6.362 50 10 JKGE Fc1c(Br)cc(Cl)c([C@H](Br)[C@@H]2C[C@@H]3CC[C@H]2O3)c1Br 2337085144 UTKRFRJDYFTBRY-WQRVWIMNSA-N 477.393 6.008 50 10 JKGE Cn1cnc(Br)c1[C@@H](Cl)c1c(Br)cc(Cl)c(Cl)c1Cl 2337275153 RMNWBXGOWJJKJF-VIFPVBQESA-N 467.803 6.234 50 10 JKGE Cc1c(Br)ccc([C@H](Br)[C@@H]2CO[C@]3(C)C[C@H]2C3)c1Br 2337698545 VKLTWZSDEFCVOH-OLJUCXRQSA-N 453.012 5.771 50 10 JKGE Cc1cc(Br)c(F)c(Br)c1[C@@H](Br)[C@H]1CC[C@H](C)CC1 2339648426 LFNIVXLPTNPVPA-FWDPORAESA-N 457.019 6.921 50 10 JKGE CC[C@@H]1CC[C@H]([C@@H](Br)c2c(C)cc(Br)c(F)c2Br)O1 2339659999 YHLVIHNYKKBTML-HLUHBDAQSA-N 458.991 6.053 50 10 JKGE Cc1cc(Br)c(F)c(Br)c1[C@@H](Br)C(C)(C)C(F)(F)F 2339679757 ORMVLZVNWGZQND-SNVBAGLBSA-N 470.924 6.684 50 10 JKGE CN(Cc1c(Br)cccc1Br)c1nc(Cl)c(CBr)s1 2340605019 BKSLOPHUQUJHAX-UHFFFAOYSA-N 489.458 5.853 50 10 JKGE COc1c(Br)cc(C)c([C@@H](Br)C2(C)CCOCC2)c1Br 2365193485 IMZCSMCZZRIJAZ-CQSZACIVSA-N 471.027 5.781 50 10 JKGE COc1c(Br)cc(C)c([C@@H](Br)C(C(C)C)C(C)C)c1Br 2365230601 JLHRLYZARLWOSV-AWEZNQCLSA-N 471.071 6.893 50 10 JKGE CN(CC[C@@H](Cl)c1cccs1)C(=O)c1cc(Br)c(Br)s1 2366240974 YVYUWCXFGPRHNT-SECBINFHSA-N 457.640 5.777 50 10 JKGE CC1CCC([C@@H](CBr)NC(=O)c2cc(Br)c(Br)s2)CC1 2379733880 XSAFZLGGHNYKPX-NWGYLPEXSA-N 488.083 5.593 50 10 JKGE CC(C)(C)c1ccc(OCC(=O)N/N=C/c2cccc(C(F)(F)F)c2)c(Br)c1 14017343 NFTKCLFYBVSTLR-OPEKNORGSA-N 457.290 5.295 50 10 JKGE Cc1ccc(C(C)C)cc1OCC(=O)N/N=C/c1ccccc1OCc1cccc(Br)c1 20395760 PMVNTBSYXNCUKE-RWPZCVJISA-N 495.417 5.989 50 10 JKGE Cc1cccc(Oc2nc3c(C)cccn3c(=O)c2/C=C(/C#N)c2nc3ccccc3s2)c1C 33588002 JUKFRDJVQRQOFF-RGEXLXHISA-N 464.550 6.086 50 10 JKGE CCC(=O)Nc1sc(/C(C#N)=C\c2cccc(Oc3ccccc3)c2)nc1-c1ccccc1 33919162 POHRXMMCLDCGLU-PGMHBOJBSA-N 451.551 7.015 50 10 JKGE Cc1ccc(C(C)C)c(OCCn2cc(/C=C(/C#N)C(=O)NCc3cccs3)c3ccccc32)c1 34828610 OGTXKYHXBPASNX-JWGURIENSA-N 483.637 6.437 50 10 JKGE CCCCOc1ccc(-c2nn(-c3ccccc3)cc2/C=C(/C#N)c2nc(O)c3ccccc3n2)cc1 34983899 UCTXXECWQYHBHF-PYCFMQQDSA-N 487.563 6.431 50 10 JKGE CCCCCCN1C(=O)C(C#N)=C(C)/C(=C\c2ccc(OCc3ccc(F)cc3)c(OCC)c2)C1=O 38604221 SZUPQIBLMBNPPN-LFVJCYFKSA-N 490.575 5.976 50 10 JKGE Cc1ccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)COc4ccc(Cl)cc4Cl)ccc32)cc1 38649181 DNSQXNCOZXYMRS-DEOSSOPVSA-N 481.335 5.504 50 10 JKGE CCc1ccc(OCC(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@H]3c2ccc(CC)cc2)cc1 38677509 ILFDRQQEJPUTKV-MHZLTWQESA-N 454.526 5.014 50 10 JKGE CCCCCOc1cccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4cccc(OC)c4)ccc32)c1 38684767 WQMJPHNPZCFXLO-MHZLTWQESA-N 484.552 5.702 50 10 JKGE N#C/C(=C\c1ccc2noc(-c3ccccc3)c2c1)c1nc(-c2ccc([N+](=O)[O-])cc2)cs1 39885090 DYBJLTAZRYPJQZ-XDHOZWIPSA-N 450.479 6.591 50 10 JKGE COc1ccccc1C(=O)N/N=C1\CCCc2oc(C(=O)Nc3cccc4ccccc34)c(C)c21 40813183 HBIRZCPHODXSKP-JBASAIQMSA-N 467.525 5.473 50 10 JKGE O=C(N/N=C/c1ccc(-c2ccc(Cl)c(Cl)c2)o1)C(=O)Nc1ccc(Cl)c(Cl)c1 58914629 ZRAIRWVBTBJBLP-PGGKNCGUSA-N 471.127 5.649 50 10 JKGE Fc1cc([C@@H](Br)c2ccc(Br)cc2Cl)c(F)cc1Br 70474541 NULDVVVSWKIBBZ-ZDUSSCGKSA-N 475.352 6.628 50 10 JKGE O=C(C[PH](c1ccccc1)(c1ccccc1)c1ccccc1)OC(c1ccccc1)c1ccccc1 97976219 JLEAPYQDANBDBU-UHFFFAOYSA-N 488.567 6.046 50 10 JKGE Cc1ccc(N2C(=O)[C@@H](Cc3cccc(Cl)c3)S/C2=C(/C#N)C(=O)NCc2ccco2)cc1C 101242659 QBFIXXSEVHEOCI-YMGIJWJESA-N 492.000 5.293 50 10 JKGE CCCCCCCCNC(=O)/C(C#N)=C\c1cn(-c2ccccc2)nc1-c1ccc2c(c1)OCCO2 102970585 IEUYIRSMROLEDB-NKFKGCMQSA-N 484.600 5.694 50 10 JKGE CCCCCCCCCCOc1ccc(C(=O)N/N=C/c2c(C)nn(-c3ccc(C)cc3)c2C)cc1 103742885 BQGUNQVDOVFLPH-DFKUXCBWSA-N 488.676 7.081 50 10 JKGE Cc1cc([C@@H](Br)c2cc(Br)ccc2Cl)sc1Br 126219834 LOPWOXSQNFOTKF-NSHDSACASA-N 459.428 6.719 50 10 JKGE Cc1ccc([C@H](Cl)c2cc(Br)sc2Br)cc1Br 130427559 JMLUZIQRXIHNIL-NSHDSACASA-N 459.428 6.672 50 10 JKGE CCc1cccc(CC)c1NC(=O)/C(C#N)=C\Nc1ccc(-c2nc3ccc(C)cc3s2)cc1 217208673 YROKUZJYFZFFMZ-XLNRJJMWSA-N 466.610 6.855 50 10 JKGE CC(C)(C)c1ccc([C@H](Cl)c2cc(I)ccc2Br)cc1 232513165 CGCLGUDHIOFDLN-INIZCTEOSA-N 463.584 6.679 50 10 JKGE COc1cc(F)c(Br)cc1[C@H](Cl)c1cccc(I)c1 234925025 BOEYGBMSDWQVQU-CQSZACIVSA-N 455.492 5.530 50 10 JKGE Cc1ccc([C@@H](Br)c2cc(I)ccc2Br)c(C)c1 235922463 WXJSOKYVHRBMBT-OAHLLOKOSA-N 479.981 6.155 50 10 JKGE Fc1ccc([C@H](Br)c2cc(Cl)sc2Cl)c(I)c1 236246658 JOAADJHEOWXBOI-JTQLQIEISA-N 465.940 6.283 50 10 JKGE C=CCc1cccc(C=NNC(=O)CSc2nc3ccccc3n2Cc2ccc(C)cc2)c1O 252609524 HTWRJRVXBWZISL-UHFFFAOYSA-N 470.598 5.070 50 10 JKGE O=C(NN=Cc1cccc2ccccc12)c1ccccc1NS(=O)(=O)c1ccc(Cl)cc1 254486657 KARYPGHOJAEGJX-UHFFFAOYSA-N 463.946 5.058 50 10 JKGE CC(=NNC(=O)/C(=C\c1ccc(N(C)C)cc1)NC(=O)c1ccccc1)c1ccc2ccccc2c1 254758704 GZMRGFXQJOCAMO-DJNCDUOWSA-N 476.580 5.217 50 10 JKGE COc1ccccc1C(=O)Nc1c(C(=O)NN=CC2CCCCC2)sc2nc(C)cc(C)c12 254868772 UOYLVFDTVCYGEU-UHFFFAOYSA-N 464.591 5.470 50 10 JKGE CCc1cc(C)sc1[C@@H](Br)c1ccc(I)c(Cl)c1 310867870 STUNNJNKGOHQCC-ZDUSSCGKSA-N 455.586 6.361 50 10 JKGE CCOc1cccc2c1nc(CCCl)n2CCCN(Cc1ccccc1)Cc1ccccc1 390494133 QNSPGUAEPGBSMI-UHFFFAOYSA-N 462.037 6.309 50 10 JKGE C[C@H](Cl)c1nc2cc(F)c(Br)cc2n1[C@@H]1C[C@H](C)N(Cc2ccccc2)C1 398219592 SACFVUAYPYBTIH-OFQRWUPVSA-N 450.783 6.073 50 10 JKGE CC(C)(C)[C@@H]1CC[C@@H](Br)[C@@H](Cc2cc(Cl)ccc2I)C1 405355104 XJBNJMOVOAHWSZ-NJZAAPMLSA-N 469.632 6.713 50 10 JKGE CC(C)(C)[Si](C)(C)OCc1cccc([C@@H]2CCOCCN2S(=O)(=O)c2ccccc2)c1 616599134 XCXFXDNNGMPXOA-QHCPKHFHSA-N 461.700 5.361 50 10 JKGE CC(C)(C)OC(=O)Nc1ccc([C@@H]2CN(CCO[Si](C)(C)C(C)(C)C)c3ccccc3N2)cc1 616691958 GDYFANASEODWOQ-QHCPKHFHSA-N 483.729 7.029 50 10 JKGE CCOc1ccc([C@H](O)CCC(=O)NN=Cc2ccc(-c3ccc(Cl)cc3Cl)o2)cc1 725388457 XCKAFQOYSWMLAB-OAQYLSRUSA-N 461.345 5.616 50 10 JKGE CC(=NNC(=O)CN1CCCCC1)c1ccc2c(c1)[C@@H]1C=CC[C@@H]1[C@H](c1ccccc1Cl)N2 1083891851 XWAUNRZXMISWGE-PBDKAQRYSA-N 463.025 5.493 50 10 JKGE COc1cc(C=NNC(=O)c2ccc(C)c([N+](=O)[O-])c2)cc(Br)c1OCc1ccccc1 1083989855 TUHZYFRYGOXHKM-UHFFFAOYSA-N 498.333 5.017 50 10 JKGE N#C/C(=C/c1cc(Cl)ccc1OCc1ccc(Cl)cc1)C(=O)Nc1ccccc1Cl 1084210657 AFUQQQFDYKVNGA-BOPFTXTBSA-N 457.744 6.771 50 10 JKGE CCOc1ccc([C@@H](O)CCC(=O)NN=Cc2cc(C)n(-c3cc(Cl)ccc3C)c2C)cc1 1084234169 XYLRPZYCRNVOHT-VWLOTQADSA-N 467.997 5.419 50 10 JKGE O=C(NN=Cc1ccc(-c2ccc(Br)cc2)o1)c1cc2cc(Br)ccc2o1 1084509566 WSMDETDLQKANDQ-UHFFFAOYSA-N 488.135 5.982 50 10 JKGE O=C(C=C(Sc1ccccc1)Sc1ccccc1)NN=Cc1cc(Cl)cc(Cl)c1O 1084616798 RXJDXFCMBXACER-UHFFFAOYSA-N 475.422 6.575 50 10 JKGE Cc1cc(C=NNC(=O)CSCc2ccc(Cl)cc2)c(C)n1-c1ccc(Br)cc1 1084629612 RRBKLRMALWEINU-UHFFFAOYSA-N 490.854 5.894 50 10 JKGE O=C(CSc1nc2ccccc2[nH]1)NN=Cc1ccccc1OCc1ccc(Br)cc1 1772760630 ZTEMISQLIRCIND-UHFFFAOYSA-N 495.402 5.147 50 10 JKGE CSc1ccc2c(c1)N(CC[C@@H]1CCCCN1C(=O)O[C@@H](C)Cl)c1ccccc1S2 1848437284 DNTNLZCGUXXZRG-IRXDYDNUSA-N 463.068 6.977 50 10 JKGE CCCCC1CCC(C(=O)N/N=C2\C(=O)N(Cc3ccccc3Cl)c3ccccc32)CC1 1860822380 BMIVETSJFFNGMU-COOPMVRXSA-N 451.998 5.704 50 10 JKGE Cc1ccc([C@H]2C(C#N)=C(N)Oc3c2c(-c2ccccc2)nn3Cc2ccc(Cl)c(Cl)c2)cc1 1865686734 ZBQOQHCDMZPUJY-QHCPKHFHSA-N 487.390 6.432 50 10 JKGE CCCOc1ccc([C@H]2C(C#N)=C(N)Oc3c2c(CCC)nn3-c2ccc(Cl)cc2)cc1OCC 1865688050 HPAKPIOPTAJSPM-DEOSSOPVSA-N 493.007 5.884 50 10 JKGE CCOc1cc([C@H]2C(C#N)=C(N)Oc3c2c(C)nn3-c2ccccc2)ccc1OCc1ccc(C)cc1 1865689339 QAOGEKBHCVKUSZ-NDEPHWFRSA-N 492.579 5.685 50 10 JKGE CCCCCCOc1ccc([C@H]2C(C#N)=C(N)Oc3c2c(CCC)nn3-c2ccccc2)cc1OC 1865697314 ZJQZMENHWZXXFH-SANMLTNESA-N 486.616 6.011 50 10 JKGE CCCc1nn(-c2ccc(Cl)c(Cl)c2)c2c1[C@H](c1cn(C)c3ccccc13)C(C#N)=C(N)O2 1865699081 KIAOZHFBUNNLOM-QFIPXVFZSA-N 478.383 5.841 50 10 JKGE COc1ccc(-c2nn(-c3ccc(C)cc3)c3c2[C@@H](c2ccccc2OC(C)C)C(C#N)=C(N)O3)cc1 1865705023 KFWSLTQWGOONRT-SANMLTNESA-N 492.579 5.862 50 10 JKGE COc1ccc(-c2ccc(C(=O)NNC(=O)CC(c3ccccc3)c3ccccc3)c(C)n2)cc1OC 1865758027 FYJRVJYIRUDPQV-UHFFFAOYSA-N 495.579 5.057 50 10 JKGE COC(=O)c1c(NC(=O)/C(C#N)=C/c2cccc(Br)c2)sc(C)c1-c1ccccc1 1866131884 RRVIBACFPGGUEQ-GZTJUZNOSA-N 481.371 5.818 50 10 JKGE N#CSc1ccc(NC(=O)[C@H](Cc2ccc(F)cc2)NC(=O)c2cccc(-n3cccc3)c2)cc1 1866613485 AYKGUZOXAGUJSG-VWLOTQADSA-N 484.556 5.169 50 10 JKGE CC[C@](C)(NC(=O)C[C@H](c1ccc(OC)c(C)c1)C(C)C)C(=O)Nc1ccc(SC#N)cc1 1866772987 WEGGAPPDOYLUNH-NVQXNPDNSA-N 467.635 5.630 50 10 JKGE COc1cccc(/C=C(\C#N)c2ccccc2[N+](=O)[O-])c1OCc1ccc(Br)cc1 1872729463 LLPXWJWDEZTTIF-QGOAFFKASA-N 465.303 6.009 50 10 JKGE COc1ccc(-c2csc(/C(C#N)=C(\O)CCCOc3cc(C)c(Cl)c(C)c3)n2)cc1C 1872746799 YUBJOMMPPPHOBZ-XDOYNYLZSA-N 469.006 7.049 50 10 JKGE N#C/C(=C(/O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1)c1nc(-c2cccc(Br)c2)cs1 1872746991 JGSKZJOFBARVTA-ICFOKQHNSA-N 473.264 5.339 50 10 JKGE CCCCCCCOc1ccc(-c2csc(/C(C#N)=C(\O)c3cccc(OCC(C)C)c3)n2)cc1 1872753064 GHXFKQNCNVCXLH-SGEDCAFJSA-N 490.669 8.144 50 10 JKGE N#C/C(=C(O)\C=C\c1cccc([N+](=O)[O-])c1)c1nc(-c2ccc(Oc3ccccc3)cc2)cs1 1872753956 VZYYHYLRXWJGCZ-GNXKPCOCSA-N 467.506 7.017 50 10 JKGE COc1c(C)cc(C)cc1-c1csc(/C(C#N)=C(\O)CCCOc2ccc3ccccc3c2)n1 1872754736 GMWSSPJKCFSSSL-LCUIJRPUSA-N 470.594 7.241 50 10 JKGE CCCN(CCC)C(=O)COc1ccc(/C=C(\C#N)c2nc(C(C)(C)C)cs2)cc1OC 1872790440 ISDHRWVITKSBAW-CPNJWEJPSA-N 455.624 5.541 50 10 JKGE COc1cc(/C=C(\C#N)c2nc(-c3cc(C)ccc3OC)cs2)ccc1OCCc1ccccc1 1872791166 ZRMJMSLPTRQDAB-XQNSMLJCSA-N 482.605 6.821 50 10 JKGE C[C@@]1(Cc2ccc(I)c(Br)c2)CC[C@H](Br)C1 1904320827 CUYTYYDERDLEIG-GWCFXTLKSA-N 457.975 5.550 50 10 JKGE Fc1cc(Br)c2nc(CCCl)n(C[C@@H]3CCN(Cc4ccccc4)C3)c2c1 1912687736 QKBNJJIKVYTKSF-MRXNPFEDSA-N 450.783 5.241 50 10 JKGE Cc1csc([C@@H](Br)c2sc(Br)c(C)c2Br)c1Cl 1922938253 CWGSJXZLMAMVPU-ZETCQYMHSA-N 479.484 7.089 50 10 JKGE COc1ccc([C@H](Br)c2sc(Br)cc2Br)c(OC)c1 1922954809 SHPLCEHAZRNREQ-LBPRGKRZSA-N 471.008 5.775 50 10 JKGE C[C@@H]1CCCC[C@H]1[C@@H](Br)c1c(Br)sc(Br)c1Cl 1923063322 YCKRNODPHFFCAE-ZXFLCMHBSA-N 465.476 7.189 50 10 JKGE Clc1c(Br)sc(Br)c1[C@H](Br)C1Cc2ccccc2C1 1923068049 MGGJQQNBMMNNBB-LLVKDONJSA-N 485.466 6.778 50 10 JKGE CC1CCC([C@H](Br)c2c(Br)sc(Br)c2Cl)CC1 1923071089 GOMLCKUFIMAHCY-IEIXJENWSA-N 465.476 7.189 50 10 JKGE C[C@@H](c1ccncc1Br)[C@@H](Br)c1ccccc1I 1924035141 ZIRLGJPVCAYUMO-LKFCYVNXSA-N 480.969 5.688 50 10 JKGE CCc1sc(Br)cc1[C@@H](Cl)c1cc(Br)sc1Br 1943037586 UFMFHFZBJXVHJT-SNVBAGLBSA-N 479.484 6.988 50 10 JKGE CC(C)(CCF)[C@H](Br)c1c(Br)sc(Br)c1Cl 1989221028 WNGURJQPDJHJPP-SSDOTTSWSA-N 457.428 6.748 50 10 JKGE CCc1sc(Br)cc1[C@H](Br)c1cc(Cl)ccc1Br 2030218179 FQTXEBUHFRJPOH-CYBMUJFWSA-N 473.455 6.973 50 10 JKGE Cc1c(Br)sc([C@@H](Br)C23CC(C)(C2)O[C@@H]3C)c1Br 2038995707 DKOVJGZYMMMKMM-OKLNWZERSA-N 459.041 5.975 50 10 JKGE Cc1c(Br)sc([C@H](Br)[C@@H]2CC23CCCCC3)c1Br 2039005323 HOROWUDRZHNGAN-GXSJLCMTSA-N 457.069 6.988 50 10 JKGE CCn1c(SCC(=O)NN=CC(Cl)=Cc2ccccc2)nnc1-c1ccc(Cl)cc1 2040465578 WHTXCPVCPYUJRY-UHFFFAOYSA-N 460.390 5.092 50 10 JKGE CN(C)c1ccc(C=C(C#N)C(=O)c2ccc(-n3nncc3C34CC5CC(CC(C5)C3)C4)cc2)cc1 2042453355 FEKCAMCFCVBROT-UHFFFAOYSA-N 477.612 5.591 50 10 JKGE Clc1c(Br)ccc(CBr)c1N1C[C@@H]2[C@H](CCN2Cc2ccccc2)C1 2068561144 FHQURBOAGDDLSF-SJLPKXTDSA-N 484.663 5.708 50 10 JKGE Cc1cc(Br)c(C)c([C@@H](Cl)c2occc2Br)c1Br 2081070881 LIYZUVZOOSSCRK-GFCCVEGCSA-N 457.387 6.512 50 10 JKGE CC[C@@]12CC[C@@]([C@@H](Br)c3cc(Br)c(Br)s3)(CO1)C2 2082039301 LDEDCWIWNIGBOX-DRZSPHRISA-N 459.041 6.058 50 10 JKGE CCOc1ccc([C@@H](Br)c2cc(Cl)ccc2I)s1 2086383091 ZGPVRRQTEIFLBJ-ZDUSSCGKSA-N 457.558 5.889 50 10 JKGE BrCc1cc(Br)c(OC[C@@H]2[C@H]3CCCC[C@H]32)c(Br)c1 2093714291 NZNBWBRQBHSGTD-GDNZZTSVSA-N 453.012 5.922 50 10 JKGE C[C@H]1CCC[C@](CBr)(Cc2ccc(Br)cc2Br)CC1 2100845752 QPEYIBRCSOPFCT-BLLLJJGKSA-N 453.056 6.736 50 10 JKGE Cc1c(Br)sc([C@@H](Cl)c2ccsc2C(F)(F)F)c1Br 2101412480 BKGBEXLSWIVCSP-ZETCQYMHSA-N 454.558 6.990 50 10 JKGE COc1ccc([C@@H](Br)c2c(Cl)sc(Br)c2Cl)cc1Cl 2107099210 RFLDVPZFECPNME-SECBINFHSA-N 465.421 6.964 50 10 JKGE C[C@@H](Cl)c1nc2cc(Cl)c(Br)cc2n1CC1CN(Cc2ccccc2)C1 2112702256 ULUMOMSGUXWGEA-CYBMUJFWSA-N 453.211 5.884 50 10 JKGE Fc1ccc(I)cc1[C@H](Br)Cc1c(Cl)cccc1Cl 2113352849 FYMSKNKEYILOBX-LLVKDONJSA-N 473.938 6.416 50 10 JKGE O=C(c1scc(Br)c1Br)N1CC[C@@H](Br)CC12CCC2 2113564570 POVVISXBPIWWPT-MRVPVSSYSA-N 472.040 5.195 50 10 JKGE Fc1ccc(OCc2cc(Br)ccc2Br)c(CBr)c1 2118519983 PTZQJELMIHMTIE-UHFFFAOYSA-N 452.943 5.825 50 10 JKGE CCn1cc(Br)c([C@H](Br)c2cc(F)c(Br)cc2F)n1 2124770350 WEJZEIGXZABHKA-LLVKDONJSA-N 458.926 5.191 50 10 JKGE Cc1c(Br)sc([C@H](Br)[C@H]2C[C@@H]2C2CCCCC2)c1Br 2135274244 TZKQDBPLFIARHY-NTZNESFSSA-N 471.096 7.234 50 10 JKGE CC[C@@H]([C@@H](Br)c1c(C)c(Br)cc(C)c1Br)C(C)(F)F 2136376691 IGKVZVCCGXKMRL-TVQRCGJNSA-N 462.998 6.946 50 10 JKGE Cc1c(Br)ccc([C@H](Cl)Cc2ccccc2Br)c1Br 2138872426 KFKSVZDZOCCHED-CQSZACIVSA-N 467.426 6.805 50 10 JKGE Cc1c(F)ccc([C@H](Br)c2ccc(I)c(Br)c2)c1C 2138893008 YJQMRBYRIYZLRK-OAHLLOKOSA-N 497.971 6.294 50 10 JKGE Clc1cc(CN2C[C@H](Br)CCC23CCC3)ccc1I 2142950064 OMVDLUYMOMAAMF-GFCCVEGCSA-N 454.577 5.227 50 10 JKGE Cc1cc(Br)cc([C@H](Br)c2cc(Br)c3c(c2)CCO3)c1 2146625572 AXNCBXGIVIKESV-HNNXBMFYSA-N 460.991 5.939 50 10 JKGE CC(C)(C)OC(=O)N[C@@H]1CN(CCCCCCCCCBr)C[C@H]1C(F)(F)F 2163057517 CAHUZLQZJOLPSK-HZPDHXFCSA-N 459.391 5.499 50 10 JKGE CC(C)(C)OC(=O)N[C@@H]1CN(CC2(CBr)CCCCC2)CC[C@@H]1C(F)(F)F 2163058852 ODVFMDFNVBIRNW-LSDHHAIUSA-N 457.375 5.109 50 10 JKGE Cc1nc([C@H](Br)c2cc(Br)c3c(c2)CCCO3)c(Br)s1 2169495751 PDULSPRBIYKIEJ-LLVKDONJSA-N 482.035 5.786 50 10 JKGE FC(F)(F)c1cc(Br)cc([C@@H](Br)c2cc(Cl)sc2Cl)c1 2172413647 ZDNFJYOGMKBZHE-SNVBAGLBSA-N 468.947 7.321 50 10 JKGE FC1(F)C2(CC2)C12CC([C@@H](Br)c1c(Cl)sc(Br)c1Cl)C2 2183919280 AYZNPXNFABTORC-RSSJWOLSSA-N 467.000 7.079 50 10 JKGE Cc1cc(Br)c(F)c([C@@H](Cl)c2ccc(Br)c(C)c2Br)c1 2203707697 XBNNIBNVXWDMFN-AWEZNQCLSA-N 485.416 7.058 50 10 JKGE COc1c(Br)cc(C)cc1[C@H](Cl)c1cccc(F)c1I 2203822446 FTJHTTXNUGKYEY-CYBMUJFWSA-N 469.519 5.838 50 10 JKGE COc1cc(F)c(F)cc1[C@@H](Br)c1cccc(F)c1I 2204505307 AIIGOIVGCYCUAC-ZDUSSCGKSA-N 457.027 5.201 50 10 JKGE CC(C)[C@H](CBr)N(Cc1ccccc1)C[C@H]1CC1(Br)Br 2209114818 ZTJOHCJNSCJKLZ-CABCVRRESA-N 468.071 5.414 50 10 JKGE Cc1ccc(I)c([C@@H](Br)c2cc(Br)c(C)s2)c1 2217421161 QRBRXUIOJPWXDM-CYBMUJFWSA-N 486.010 6.216 50 10 JKGE CCOCc1cc(Br)c([C@@H](Br)c2sccc2Br)s1 2217983996 SXVXYJXIIAVBSA-JTQLQIEISA-N 475.065 6.355 50 10 JKGE Brc1cc(Br)c([C@H](Br)[C@@H]2OC[C@@H]3CCCC[C@@H]32)s1 2218097395 FKIASHMQDJEPQN-LDDIKCJXSA-N 459.041 5.914 50 10 JKGE CCc1cc(Br)c([C@@H](Cl)c2cc(C)ccc2I)s1 2224053430 HRLWNNSPHORGJC-ZDUSSCGKSA-N 455.586 6.314 50 10 JKGE FC1CCC([C@@H](Br)c2c(Br)cc(Cl)c(Cl)c2Cl)CC1 2224322454 PAVCNSSQDSNFMK-UAAUVXIDSA-N 453.404 7.374 50 10 JKGE COc1cc(Br)c([C@H](Br)c2scc(C)c2Br)cc1C 2227735127 QIYYHUYFFHWZGH-ZDUSSCGKSA-N 469.036 6.383 50 10 JKGE Fc1cccc([C@H](Br)c2c(Br)cc(Cl)c(Cl)c2Cl)c1F 2232514529 VMWQTJXIYJTVNO-JTQLQIEISA-N 465.346 7.172 50 10 JKGE CC[C@H](CC(F)(F)F)[C@H](Br)c1c(Br)cc(Cl)c(Cl)c1Cl 2232517855 XAVYDIRNRIKUFP-ANLVUFKYSA-N 477.373 7.824 50 10 JKGE ClCc1nc2cc(Br)c(Br)cc2n1C[C@H]1CSCCS1 2234067391 OAOIBNZLYLKNAB-QMMMGPOBSA-N 456.656 5.149 50 10 JKGE CCCN[C@H](c1c(Br)cc(C)c(Br)c1C)[C@H]1C[C@@H](Br)C1 2235603765 KPNCMZXCQHTJOT-OZVIIMIRSA-N 468.071 6.043 50 10 JKGE COCC12CCC([C@H](Br)c3cc(Br)sc3Br)(CC1)CO2 2237695979 OSHCLOHHXMMPHS-LMWSTFAQSA-N 489.067 5.685 50 10 JKGE C[C@@H]1C[C@@H]1CCCCO[C@]1(CI)CCCN(C(=O)OC(C)(C)C)C1 2248463098 LWDLRBVHMRKOOL-GJYPPUQNSA-N 451.389 5.034 50 10 JKGE COc1ccc([C@H](Br)c2nscc2Br)c(Br)c1Cl 2256327921 UCRAQOPHPFZTAR-VIFPVBQESA-N 476.415 5.814 50 10 JKGE Clc1ccc([C@H](Br)Cc2ccccc2Cl)cc1I 2256361352 VRIBGOBFUVKBAR-LLVKDONJSA-N 455.948 6.277 50 10 JKGE COc1c(C)cc(Br)cc1[C@@H](Br)c1scc(Br)c1Cl 2264605632 QXCVIQVIIMIZJC-SNVBAGLBSA-N 489.454 6.728 50 10 JKGE CN(Cc1ccc(I)cc1)c1ccc(CBr)c(Br)c1 2265606023 WSSNCBQDXIWOOP-UHFFFAOYSA-N 494.996 5.585 50 10 JKGE Cc1cc(F)c(Br)cc1[C@@H](Br)Cc1cccc(Br)c1 2270350991 WRDQGJWQOUTTRE-ZDUSSCGKSA-N 450.971 6.338 50 10 JKGE Cc1c(Br)ccc([C@H](Br)[C@@]23CCCC[C@H]2CC3)c1Br 2273343767 OYWGDVCKRWBSNP-KNXALSJPSA-N 451.040 6.926 50 10 JKGE COc1c([C@H](Br)Cc2cc(Br)cc(Br)c2)csc1C 2277958004 ZMEDJCILGGOXCC-CYBMUJFWSA-N 469.036 6.269 50 10 JKGE COc1c([C@@H](Cl)c2cscc2OCc2ccccc2)cc(Br)c2c1CCC2 2284517103 OTXANBSRPSIWRY-OAQYLSRUSA-N 463.824 6.915 50 10 JKGE COc1c([C@@H](Br)c2sccc2Br)cc(Br)c2c1CCC2 2284592169 BIWWMQGVSZINRR-CYBMUJFWSA-N 481.047 6.255 50 10 JKGE COc1c([C@H](Br)c2cc(Br)co2)cc(Br)c2c1CCC2 2285993710 OEWPYIJWOLUQLQ-AWEZNQCLSA-N 464.979 5.786 50 10 JKGE N#CC(=Cc1cc(Cl)cc(Cl)c1OCc1ccccc1Cl)C(=O)NCc1ccccc1 2293140472 FZQWZXKYMLXJEV-UHFFFAOYSA-N 471.771 6.449 50 10 JKGE Cc1cc(C=C(C#N)C(=O)Nc2ccc(Br)cc2)c(C)n1-c1cccc(C(F)(F)F)c1 2294187440 OTYCMOSITOYVNE-UHFFFAOYSA-N 488.307 6.421 50 10 JKGE CC1(C)[C@H]2CC[C@@H](C2)[C@H]1[C@@H](Br)Cc1cc(Br)cc(Br)c1 2295336211 STDWPUQUPBPKDM-APYUEPQZSA-N 465.067 6.590 50 10 JKGE CCOc1ccc(NC(=O)C(C#N)=Cc2c(Oc3ccccc3Cl)nc3ccccn3c2=O)cc1 2296543552 LZRMMHABGXSHMV-UHFFFAOYSA-N 486.915 5.085 50 10 JKGE CC[C@@H]1CC[C@H]([C@H](Br)c2ccc(OCc3ccccc3)cc2Br)O1 2299493223 KOAAQBLLIGEUOM-CDHQVMDDSA-N 454.202 6.422 50 10 JKGE CCOC(=O)C(C#N)=Cc1cc(I)c(OCc2ccc(Cl)cc2)c(OC)c1 2313521381 KBUREWDPDQEGKC-UHFFFAOYSA-N 497.716 5.002 50 10 JKGE N#CC(=Cc1cc(Br)ccc1OCc1ccc(F)cc1)C(=O)Nc1ccccc1Cl 2313631640 TWJNZFWURBAFKA-UHFFFAOYSA-N 485.740 6.366 50 10 JKGE CCc1ccccc1NC(=O)C(C#N)=Cc1cccc(OCc2ccc(Cl)cc2Cl)c1 2313670666 NYMNYQNSALNDEO-UHFFFAOYSA-N 451.353 6.680 50 10 JKGE CCOc1ccc(NC(=O)C(C#N)=Cc2cn(-c3ccccc3)nc2-c2cc3ccccc3o2)cc1 2314427820 RRQWKYVQCFVWCU-UHFFFAOYSA-N 474.520 6.230 50 10 JKGE CCCCSc1ccc(-c2nn(-c3ccccc3)cc2C=C(C#N)C(=O)Nc2ccc(C)cc2)cc1 2314478124 FUAOOFKPQUJVMS-UHFFFAOYSA-N 492.648 7.286 50 10 JKGE COc1cc(C=C(C#N)c2ccc(Cl)cc2)ccc1OC(=O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1 2314720230 HOMUQRRZDNBJHE-UHFFFAOYSA-N 479.832 5.448 50 10 JKGE Clc1cc(I)c([C@@H](Br)Cc2c(Cl)cccc2Cl)s1 2316777092 JSXGGINWCBDRBV-ZETCQYMHSA-N 496.422 6.992 50 10 JKGE Cc1cc(Br)c(F)c(Br)c1[C@H](Br)C(C)(C)C(F)F 2317420242 MPUAEHLPBMJBCH-JTQLQIEISA-N 452.934 6.386 50 10 JKGE N#CC(=CNc1ccccc1Sc1ccccc1)C(=O)Nc1ccccc1Sc1ccccc1 2318463035 VMZWMRIXZDBLPS-UHFFFAOYSA-N 479.630 7.447 50 10 JKGE CC[C@@H](NC(=O)C(C#N)=CN1CCN(c2cccc(Cl)c2)CC1)c1ccc2c(c1)CCCC2 2325092636 CNZVGRACWVPPDY-AREMUKBSSA-N 463.025 5.016 50 10 JKGE CN(Cc1ccc(I)c(Br)c1)C[C@@H]1CCC[C@H]1Br 2325214724 RQCQONMGYWXPDE-NWDGAFQWSA-N 487.017 5.049 50 10 JKGE C[C@@H](NC=C(C#N)C(=O)Nc1ccc(Cl)c(C(F)(F)F)c1)C12CC3CC(CC(C3)C1)C2 2325382609 APXCCANXYYUANP-ZHHULCEESA-N 451.920 5.899 50 10 JKGE CCOC(=O)c1c(-c2ccc(C(C)C)cc2)csc1NC(=O)C(C#N)=Cc1cccc(Cl)c1 2329687329 SDLNFMQFDLAFAY-UHFFFAOYSA-N 479.001 6.914 50 10 JKGE CCCOc1ccc(-c2csc(C(C#N)=C(O)c3ccccc3Br)n2)cc1OCCC 2331293191 FARIUZSJNVNLJJ-UHFFFAOYSA-N 499.430 7.100 50 10 JKGE CCCOc1ccc(-c2csc(C(C#N)=C(O)c3ccc(OCC)cc3)n2)cc1OCCC 2331293220 IDVOSZUBMBKVKN-UHFFFAOYSA-N 464.587 6.736 50 10 JKGE COc1cc(C(O)=C(C#N)c2nc(-c3cc(C)ccc3OC)cs2)c([N+](=O)[O-])cc1OC 2331324293 GCNMKYTUHSCNGS-UHFFFAOYSA-N 453.476 5.002 50 10 JKGE CCc1cccc(C)c1N1C[C@H](C(O)=C(C#N)c2nc(-c3ccc4c(c3)OCCO4)cs2)CC1=O 2331330743 DPGCYTGVFVRFRF-LJQANCHMSA-N 487.581 5.298 50 10 JKGE COc1cc(C)c(-c2csc(C(C#N)=C(O)c3cc([N+](=O)[O-])c(C)c([N+](=O)[O-])c3)n2)cc1C(C)C 2331358536 JIPAXNXHVAVPSS-UHFFFAOYSA-N 494.529 6.325 50 10 JKGE COc1ccc(OCC(O)=C(C#N)c2nc(-c3cc(C(C)(C)C)ccc3C)cs2)c(C(C)(C)C)c1 2331396339 NXLJSIXLBQLQBG-UHFFFAOYSA-N 490.669 7.594 50 10 JKGE CCCCCCCOc1ccc(-c2csc(C(C#N)=Cc3ccccc3OC(C)C)n2)cc1 2331460670 SDBTWLXAKQLKEJ-UHFFFAOYSA-N 460.643 8.011 50 10 JKGE COc1ccc(C(C)(C)C)cc1-c1csc(C(C#N)=Cc2ccc(OCc3ccccc3C)cc2)n1 2331461081 HVPAVVSTVIXTDX-UHFFFAOYSA-N 494.660 8.068 50 10 JKGE FC1(F)CCC(CBr)(Cc2ccc(Cl)c(I)c2)CC1 2337223484 MYOHETOGYRMYAV-UHFFFAOYSA-N 463.531 6.078 50 10 JKGE CC1(C)[C@H]2CO[C@@]1([C@@H](Br)c1c(Cl)cc(Br)c(F)c1Br)C2 2362236726 QFICGSUVMUZOJM-JPLJRGCISA-N 491.420 6.255 50 10 JKGE COc1ccc(OCc2ccc(Cl)c(I)c2)c(CBr)c1 2362427900 PGPRKQCEQMPHNP-UHFFFAOYSA-N 467.528 5.427 50 10 JKGE Cc1cc(Br)c(F)c(Br)c1[C@@H](Br)C1CC(C(C)(C)C)C1 2365190374 DQUZJIGSPWTOPY-ZPPKWKGLSA-N 471.046 7.167 50 10 JKGE COc1c(Br)cc(C)c([C@@H](Br)C23COCC(C2)C3)c1Br 2365196382 LPKOWHJCZVGFIB-JBLLZRQOSA-N 469.011 5.391 50 10 JKGE Cc1c(Br)sc([C@H](Cl)CCc2cc(Cl)cc(Cl)c2)c1Br 2366795239 MEDZELWOJJIEAU-LLVKDONJSA-N 477.476 7.801 50 10 JKGE O=C(Nc1ccc(CCl)c(F)c1)c1ccc(Br)cc1I 2367667155 PFJBBLRFWYLCTK-UHFFFAOYSA-N 468.491 5.184 50 10 JKGE O=C(N[C@H](CCBr)COCc1ccccc1)c1cc(Cl)cc(C(F)(F)F)c1 2369432292 BSVYRPSXZAGTIU-QGZVFWFLSA-N 464.709 5.459 50 10 JKGE Cc1scc([C@@H](Br)c2cc3c(cc2Br)OCCO3)c1Br 2369584097 APHRQQNFEKJTAL-AWEZNQCLSA-N 483.019 5.837 50 10 JKGE CC(C)(C)OC(=O)NCC(F)(F)[C@H]1CCCCN1C[C@](C)(CBr)C(C)(C)C 2380206189 NYMFZZOSZIBQFD-BEFAXECRSA-N 455.428 5.448 50 10 JKGE Cc1cc(Cl)c([C@@H](Cl)c2cc(Br)c(Br)cc2F)c(Cl)c1 2381320468 WLGTWOIWLMDTRB-AWEZNQCLSA-N 461.383 7.294 50 10 JKGE Cc1cc(C)c(NC(=O)CSC2=C(C#N)[C@@H](c3cccs3)C3=C(CCCC3=O)N2)c(C)c1 27550306 BQKVNNRAYIXBTF-QFIPXVFZSA-N 463.628 5.474 50 10 JKGE N#C/C(=C/c1c(Cl)cccc1Cl)c1nc(-c2cccs2)c(NC(=O)c2ccco2)s1 34836064 VCEJYGPRVNPLSI-BENRWUELSA-N 472.378 7.088 50 10 JKGE Cc1ccc(Oc2nc3ccccn3c(=O)c2/C=C(/C#N)c2nc3ccccc3s2)c(C)c1 35213395 BLONXUJRZCUFTO-JXAWBTAJSA-N 450.523 5.778 50 10 JKGE CC(C)c1ccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4cc([N+](=O)[O-])ccc4Cl)ccc32)cc1 38649684 FQCPDGZQXYSWON-DEOSSOPVSA-N 489.915 5.809 50 10 JKGE Cc1ccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)C(c4ccccc4)c4ccccc4)ccc32)o1 38659400 ULZLANPSRSJAQV-HHHXNRCGSA-N 462.505 5.544 50 10 JKGE COc1cccc(C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@H]3c2cccc(Oc3ccccc3)c2)c1 38660770 FWNMQHUPJFXMDZ-NDEPHWFRSA-N 490.515 5.925 50 10 JKGE Cc1c(C(=O)Oc2ccc(-c3ccc(C#N)cc3)cc2)oc2c1/C(=N/NC(=O)c1ccncc1)CCC2 40814029 UUHCFTUTZBUZGC-FEZSWGLMSA-N 490.519 5.211 50 10 JKGE Cc1c(C(=O)Oc2ccc3ccccc3c2)oc2c1/C(=N/NC(=O)COc1ccccc1)CCC2 40816018 KCBSJCHAMAIMOQ-BYNJWEBRSA-N 468.509 5.196 50 10 JKGE COc1cc(/C=C(\C#N)C(=O)NC(C)C)ccc1OC(=O)COc1ccc(-c2ccc(C)cc2)cc1 40881666 QPHHMQAZICSMPI-BUVRLJJBSA-N 484.552 5.087 50 10 JKGE CCOc1cc(/C=N/NC(=O)c2cc3ccccc3o2)ccc1OCc1ccc(Cl)cc1Cl 59680239 YSPYUIBLVJJFFH-CCVNUDIWSA-N 483.351 6.481 50 10 JKGE COc1cc(/C=C(/C#N)c2ccc(Cl)cc2)c(Br)cc1OCc1ccccc1Cl 96936257 PXERWXFXKDELIR-ZDLGFXPLSA-N 489.196 7.408 50 10 JKGE CCCCCCCCCCCCCC(=O)NNC(=O)[C@@H](C)Oc1ccc(Cl)cc1Cl 100442982 FIALYFSFUJUBDE-GOSISDBHSA-N 459.458 6.609 50 10 JKGE N#C/C(=C(/O)c1ccc(-c2cccc(C(F)(F)F)c2)o1)c1nc(-c2ccc3ccccc3c2)cs1 100989946 UDTZKAMZWSXMIP-DAFNUICNSA-N 488.490 8.192 50 10 JKGE CC(C)C1=CC(=C(C#N)C#N)C=C(/C=C\c2cc3c4c(c2)C(C)(C)CCN4C(C)(C)C[C@H]3C)O1 101710723 CSANIHVYKOULCA-ZTBDEIDFSA-N 453.630 7.271 50 10 JKGE CC(C)Cc1ccc(-c2csc(/C(C#N)=C\Nc3ccccc3OC(F)(F)[C@H](F)Cl)n2)cc1 102420166 FVZOOBHJHGRJRP-ZLKNRPIFSA-N 491.966 7.491 50 10 JKGE Fc1ccc([C@H](Cl)c2cc(Br)ccc2Br)c(Br)c1 109803572 IGYDKZCYAXVWMX-ZDUSSCGKSA-N 457.362 6.441 50 10 JKGE Cc1ccccc1C(CBr)(CBr)Cc1sccc1Br 118671009 HWGBIJKWEWCHTC-UHFFFAOYSA-N 467.064 6.089 50 10 JKGE CCc1nn(C)c(C[C@@H](CBr)c2ccccc2Br)c1Br 118867642 QJXRKAQCKUNAPM-JTQLQIEISA-N 465.027 5.229 50 10 JKGE Clc1ccccc1C(CBr)(CBr)Cc1cccc(Br)c1 118877937 CCLZZTRAKCIDEI-UHFFFAOYSA-N 481.453 6.373 50 10 JKGE Brc1ccc(Br)c([C@H](Br)Cc2ccc3ccccc3n2)c1 161326646 STSVGLUMIZLMPS-MRXNPFEDSA-N 470.002 6.439 50 10 JKGE COc1cc(/C=C(/C#N)c2nc3cc(C)ccc3[nH]2)cc([N+](=O)[O-])c1OCc1ccc(C)cc1 169939615 TWYVRCQWLQETJX-JAIQZWGSSA-N 454.486 5.740 50 10 JKGE CCCCCCOc1ccc(/C=C2\C(=O)N(Cc3ccccc3)C(=O)C(C#N)=C2C)cc1OC 214281357 CJASTKHDTBQMKR-KQWNVCNZSA-N 458.558 5.447 50 10 JKGE CC[C@H](NC(=O)/C(C#N)=C\N1CCN(c2cccc(Cl)c2)CC1)c1ccc2c(c1)CCCC2 217192405 CNZVGRACWVPPDY-WHSZPFTHSA-N 463.025 5.016 50 10 JKGE N#C/C(=C/NC(c1ccccc1)c1ccccc1)C(=O)Nc1ccc(Cl)c(C(F)(F)F)c1 217249269 YQAPICKLEOQBQN-SDXDJHTJSA-N 455.867 6.084 50 10 JKGE Cc1ccc(C[C@@H](Br)c2cc(Br)ccc2I)nc1 235863550 QMUOXSCBEFELKJ-CYBMUJFWSA-N 480.969 5.436 50 10 JKGE Clc1cc([C@H](Br)c2csc(Br)c2)sc1Br 236071343 KVXGPLNLSHKNPO-MRVPVSSYSA-N 451.430 6.472 50 10 JKGE Fc1cc([C@@H](Cl)c2ccc(Br)cc2Br)c(F)cc1Br 236228282 MEGYIFAGYUWKQU-ZDUSSCGKSA-N 475.352 6.581 50 10 JKGE COc1ccc(N(C(=O)CCl)[C@H](C(=O)N[C@@H]2CCCC[C@H]2C)c2ccccc2Cl)cc1 252587705 ZXVNHGMPOHYGQO-VZPUWSDOSA-N 463.405 5.357 50 10 JKGE O=C(Oc1ccc(C=NNC(=O)c2ccn(Cc3ccc(Cl)cc3Cl)n2)cc1)c1ccccc1 252624245 PKAXEHAZHMMDDX-UHFFFAOYSA-N 493.350 5.221 50 10 JKGE Cc1ccc(C=NNC(=O)[C@@H](C)Sc2nnc(CNc3ccc(C)cc3)n2-c2ccccc2)cc1 252626983 RJPFCLOPADFPNY-OAQYLSRUSA-N 484.629 5.127 50 10 JKGE CCCCOc1ccc(-c2cc(C(=O)NN=Cc3ccc(OC)cc3OC)c3ccccc3n2)cc1 252631190 VJLCFSHAVIUIEP-UHFFFAOYSA-N 483.568 5.862 50 10 JKGE CCOc1cc(C=NNC(=O)CNc2cccc3ccccc23)ccc1OC(=O)c1ccc(F)cc1 254707132 OMYAGSORAPLCHP-UHFFFAOYSA-N 485.515 5.159 50 10 JKGE BrCc1cc(Br)c(OC[C@H]2C[C@H]3CC[C@H]2C3)c(Br)c1 300437979 CILRIDHTVMWVGB-ZMLRMANQSA-N 453.012 5.922 50 10 JKGE C[C@@H](Br)C[C@H]1CCCN1C(=O)c1cc(Br)sc1Br 310696681 UOHNCXRMORLBBK-HTQZYQBOSA-N 460.029 5.051 50 10 JKGE COc1ccc(C[C@H](Br)c2sccc2I)cc1OC 311686161 KACFELPYGUFPMP-JTQLQIEISA-N 453.139 5.049 50 10 JKGE BrCc1cc(Br)c(OCOC2CCCCC2)c(Br)c1 388982734 ZEZQQPUDYNNWMN-UHFFFAOYSA-N 457.000 5.792 50 10 JKGE C[C@H](Cl)c1nc2cc(I)ccc2n1-c1cnn(Cc2ccccc2)c1 389708465 RFIONCMPGXSTGX-ZDUSSCGKSA-N 462.722 5.175 50 10 JKGE Fc1cc(Br)ccc1[C@H](Br)c1c(Br)cc(F)c(F)c1F 398721726 IUAOIQIBVHCCPP-NSHDSACASA-N 476.887 6.252 50 10 JKGE CC(C)(C)[Si](C)(C)OCCc1ccccc1[C@H]1CCOCCN1CCO[Si](C)(C)C(C)(C)C 616598957 MGJZBJGALMRTIO-RUZDIDTESA-N 493.881 7.036 50 10 JKGE CC(C)(C)C[C@@H](CBr)NC(=O)c1scc(Br)c1Br 705439484 RDMFYKVOBGLCKM-ZETCQYMHSA-N 462.045 5.203 50 10 JKGE CC1(C)C[C@H](NC(=O)c2scc(Br)c2Br)C[C@H](Br)C1 705448378 QEFDHLLRMAINMC-JGVFFNPUSA-N 474.056 5.345 50 10 JKGE CC(C)(C)OC(=O)N1CCC2(CC1)Oc1ccccc1[C@@H](Br)[C@H]2Br 725274579 XJGGDNUPCDAJDG-HUUCEWRRSA-N 461.194 5.048 50 10 JKGE Cc1cc(C=NNC(=O)COc2ccc(Cl)cc2Cl)c(C)n1-c1cc(Cl)cc(Cl)c1 1083903887 DRLJQCYKFSMVSL-UHFFFAOYSA-N 485.198 6.237 50 10 JKGE CCOC(=O)COc1c(Cl)cc(/C=C(\C#N)C(=O)Nc2cccc(Cl)c2Cl)cc1OC 1084369071 CPUXNUIUQDRVIA-NTUHNPAUSA-N 483.735 5.143 50 10 JKGE CO[C@@H](C(=O)NN=C(C)c1ccc2c(c1)[C@@H]1C=CC[C@@H]1[C@H](c1ccccc1)N2)c1ccccc1 1084499361 RWMSLTACYJYAJB-YFQNEARWSA-N 451.570 5.741 50 10 JKGE Cc1cc(C)cc(NC(=O)c2oc3c(c2C)C(=NNC(=O)c2ccc4ccccc4n2)CCC3)c1 1772750970 DYIDDGYYQAAMFW-UHFFFAOYSA-N 466.541 5.476 50 10 JKGE Cc1c(C(=O)Nc2cccc(C(F)(F)F)c2)oc2c1C(=NNC(=O)c1ccccc1O)CCC2 1772751982 QPBNBJFFMNPEGK-UHFFFAOYSA-N 471.435 5.035 50 10 JKGE COc1cc(C=NNC(=O)COc2c(C)ccc(C)c2C)ccc1OCc1ccccc1Cl 1772753171 IYJLPHHUBUISEJ-UHFFFAOYSA-N 466.965 5.382 50 10 JKGE O=C(CCCCl)ON=C1C(=O)N(Cc2ccc(Cl)c(Cl)c2)c2ccc(Cl)cc21 1848352935 GZBLEHNLVULCIN-UHFFFAOYSA-N 460.144 5.460 50 10 JKGE CCCc1nn(-c2cccc(Cl)c2)c2c1[C@H](c1ccc(Cl)c([N+](=O)[O-])c1)C(C#N)=C(N)O2 1865706161 PEHFQDPHVWXAQN-LJQANCHMSA-N 470.316 5.258 50 10 JKGE N#CC1=C(N)Oc2c(c(C(F)(F)F)nn2Cc2c(F)cccc2Cl)[C@@H]1c1ccc(F)cc1 1865707851 HOVYIWUCBNTMSH-MRXNPFEDSA-N 466.797 5.100 50 10 JKGE N#CC1=C(N)Oc2c(c(-c3ccccc3)nn2Cc2ccc(Cl)c(Cl)c2)[C@H]1c1ccccc1O 1865707893 ITZYKEAOIRZGHJ-QFIPXVFZSA-N 489.362 5.829 50 10 JKGE CCCc1nn(Cc2ccccc2F)c2c1[C@H](c1cccc(OCc3ccccc3)c1)C(C#N)=C(N)O2 1865711604 CIZBQSYDMZTQDM-HHHXNRCGSA-N 494.570 5.820 50 10 JKGE Cc1ccc(-c2ccc(C(=O)NNC(=O)c3cc(C(F)(F)F)cc(C(F)(F)F)c3)c(C)n2)cc1 1865757798 VKZWWUXZFFLNAK-UHFFFAOYSA-N 481.396 5.478 50 10 JKGE Cc1ccc(/C(=C/C(=O)N[C@H](Cc2ccccc2)C(=O)Nc2ccc(SC#N)cc2)C2CC2)cc1C 1866694021 LBFVQILDZDTPNO-YPKNDXLLSA-N 495.648 6.036 50 10 JKGE Cc1ccc(-c2nc(Nc3ccc(SC#N)cc3)cc(N3CCO[C@H](c4ccncc4)C3)n2)cc1 1868321270 XZMQKXYKXQNDGL-DEOSSOPVSA-N 480.597 5.742 50 10 JKGE CCCCc1ccc(-c2csc(/C(C#N)=C(\O)COc3cc(Cl)ccc3Cl)n2)cc1 1872744809 JEBDBSRLZLYPOY-UZYVYHOESA-N 459.398 7.331 50 10 JKGE Cc1ccc(-c2csc(/C(C#N)=C(\O)CNC(=O)c3ccc(Cl)cc3Cl)n2)c(C)c1 1872748776 NGUXMSVTWRROLP-JZJYNLBNSA-N 458.370 5.956 50 10 JKGE CC(C)(C)c1ccc(-c2csc(/C(C#N)=C(\O)[C@H]3CC(=O)N(Cc4ccccc4)C3)n2)cc1 1872751226 XOZOWINWOTVVBP-RCBZZLCRSA-N 457.599 5.949 50 10 JKGE COc1c(Cl)cc(-c2csc(/C(C#N)=C(\O)c3ccc(-n4cccc4)cc3)n2)cc1Cl 1872755946 NCHNHFCZSQYFNJ-FXBPSFAMSA-N 468.365 6.866 50 10 JKGE CCc1nn(C)c([C@@H](Br)c2sc(C)c(Br)c2C)c1Br 1877185139 ALMCVALCCLGYFE-LLVKDONJSA-N 471.056 5.670 50 10 JKGE Brc1cc([C@H](Br)[C@H]2C[C@H]2Br)c(Br)s1 1883531392 RAMZJTNSSURKQP-JLEYCGRDSA-N 453.819 5.493 50 10 JKGE CC1(C)CC[C@H]([C@@H](CBr)NC(=O)OC(C)(C)C)[C@@H](CNC(=O)OC(C)(C)C)C1 1885098086 WGYJYGPRADOWPY-OWCLPIDISA-N 463.457 5.242 50 10 JKGE F[C@H]([C@H](Br)c1cc(Br)ccc1OCc1ccccc1)C(F)(F)F 1899853840 XQHNDOXEZMHEIB-HUUCEWRRSA-N 456.071 6.365 50 10 JKGE Cc1nscc1[C@@H](Br)c1ccc(OCc2ccccc2)cc1Br 1899869018 XXRJICDKAXTWML-SFHVURJKSA-N 453.199 6.277 50 10 JKGE Fc1c(Br)cc(Cl)c([C@@H](Cl)C2(Br)CC2)c1Br 1900362400 UWEWHKJQRZUURX-SECBINFHSA-N 455.774 6.212 50 10 JKGE C[C@@H](CCn1c([C@@H](C)Cl)nc2c(Br)cc(F)cc21)N(C)Cc1ccccc1 1912669126 JYDNXGMFJUOJNZ-LSDHHAIUSA-N 452.799 6.148 50 10 JKGE Clc1cc(Br)ccc1CN(Cc1ccccc1)C1(CBr)CCC1 1915791305 LAWNJGIBUZXPRX-UHFFFAOYSA-N 457.637 6.422 50 10 JKGE FC(F)(F)C(F)(F)C[C@@H](Br)c1sc(Br)cc1Br 1922881200 HJGINMSWXNLOGK-SCSAIBSYSA-N 466.889 6.297 50 10 JKGE Cc1c(Br)sc([C@H](Br)c2ccc3c(c2)COCC3)c1Br 1922934492 HGIOKBGOGSKXFZ-CYBMUJFWSA-N 481.047 6.139 50 10 JKGE Fc1cc([C@@H](Cl)c2c(Br)sc(Br)c2Cl)c(F)c(F)c1F 1923054689 IYSPQHYWOCIKRE-RXMQYKEDSA-N 472.910 6.811 50 10 JKGE FC(F)C(F)(F)[C@H](Cl)c1c(Br)sc(Br)c1Br 1924579476 GFOOTDWWPGXVTA-GSVOUGTGSA-N 469.317 6.216 50 10 JKGE CCC[C@@H](CC(C)C)[C@@H](Cl)c1c(Br)sc(Br)c1Br 1924604393 BCOVKHHQDGORAQ-GZMMTYOYSA-N 481.519 7.778 50 10 JKGE CC(C)(CCCC[C@@H]1CCSS1)[C@@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)O 1952498186 MUIXUSRPYUCUCM-KOSHJBKYSA-N 499.698 6.719 50 10 JKGE Brc1cc(Br)c([C@H](Br)C2(Br)CCC2)s1 1956607619 OTGFLNDIKWSDAD-QMMMGPOBSA-N 467.846 6.027 50 10 JKGE C[C@@H]1C[C@@H](C[C@@H](Cl)c2c(Br)sc(Br)c2Br)CO1 1997176857 ZTBJNEUNHZAXJL-DSYKOEDSSA-N 467.448 6.131 50 10 JKGE Cc1c(Br)sc([C@H](Br)[C@@H]2C[C@@H]2C(C)(F)F)c1Br 2000490262 DVDVPQWEVHSOAG-GKROBHDKSA-N 452.984 6.309 50 10 JKGE Cc1cc(Cl)c(Br)cc1[C@@H](Br)c1cscc1OCc1ccccc1 2023707587 SMLOPTOQPQLVPQ-LJQANCHMSA-N 486.656 7.536 50 10 JKGE C[C@H](Br)[C@@H]1CCCCN1C(=O)c1csc(Br)c1Br 2032958415 CXEROGUVYITCFU-CBAPKCEASA-N 460.029 5.051 50 10 JKGE CCOc1ccc(Br)cc1[C@@H](Br)c1cscc1OCc1ccccc1 2038686453 OSOFARXRLKDQHI-HXUWFJFHSA-N 482.237 6.973 50 10 JKGE BrCc1ccc(N2CC[C@@H]3CN(Cc4ccccc4)C[C@@H]3C2)c(Br)c1 2049666172 ZFIWTQBRIUUFFQ-RTBURBONSA-N 464.245 5.302 50 10 JKGE Fc1cc(Br)c(Cl)cc1[C@H](Br)c1cc(Br)c(Cl)s1 2052452112 UWALREWNSNJUPZ-JTQLQIEISA-N 497.836 7.203 50 10 JKGE CC(C)(C)c1ccc(O)c(-n2nc(CCl)c(I)c2C(F)(F)F)c1 2079210669 XGZOVERYAFORPT-UHFFFAOYSA-N 458.649 5.238 50 10 JKGE C[C@H]1CCc2c1c(CBr)nn2Cc1ccc(C(F)(F)F)c(Br)c1 2080700126 NTHLGJURXOZRJM-VIFPVBQESA-N 452.112 5.657 50 10 JKGE Clc1ccc(COc2cccc(CBr)c2Br)c(Br)c1 2088515696 YXSCQMSMTLEOHA-UHFFFAOYSA-N 469.398 6.339 50 10 JKGE BrCc1c(Br)cccc1N1CCC2(CCN(Cc3ccccc3)C2)CC1 2107033216 VMKAECSSEYNTET-UHFFFAOYSA-N 478.272 5.837 50 10 JKGE Cc1ccc([C@@H](Cl)c2cc(I)ccc2F)c(C)c1Br 2113350648 GSBKGJVRNGKFJY-OAHLLOKOSA-N 453.520 6.138 50 10 JKGE Fc1c(Cl)ccc(Br)c1C[C@@H](Br)c1cccc(Br)c1 2113493953 USVZQXQOHXZSGL-GFCCVEGCSA-N 471.389 6.683 50 10 JKGE CC1(C)OCCC[C@@]1(CBr)Cc1c(Br)cccc1Br 2130451374 FFRTYFJXGPYONM-HNNXBMFYSA-N 455.028 5.724 50 10 JKGE Cc1cc(Br)c(C)c([C@H](Br)[C@@H]2CC[C@H]3C[C@@H]3C2)c1Br 2136365880 BXEKTWHFCQFLSI-XSUJLISDSA-N 451.040 6.701 50 10 JKGE Cc1cc([C@H](Cl)c2c(C)c(Br)cc(C)c2Br)oc1Br 2136367481 RIKIVOZEUKEDQB-ZDUSSCGKSA-N 471.414 6.821 50 10 JKGE Cc1c(Br)ccc([C@H](Br)c2cc(Cl)ccc2Cl)c1Br 2138848669 BKTXJIKYQOLMDU-AWEZNQCLSA-N 487.844 7.311 50 10 JKGE FC1(F)CCC[C@@H]2[C@H]([C@@H](Br)c3ccc(Br)cc3Br)[C@H]21 2138870799 BVRPMCZANAXTNH-IXOXFDKPSA-N 458.966 6.329 50 10 JKGE Brc1ccc([C@@H](Br)C2C[C@H]3COC[C@H](C2)C3)c(Br)c1 2141802128 WJNPKEHCXNHMQG-YHAQOWFVSA-N 453.012 5.710 50 10 JKGE Clc1ccc(OCc2ccc(I)c(Cl)c2)c(CBr)c1 2142944899 CZODUKIIEGRUIQ-UHFFFAOYSA-N 471.947 6.072 50 10 JKGE C[C@H](Br)c1ccccc1NC(=O)c1c(Br)cccc1Br 2150491655 RJYPPHAOQXODOK-VIFPVBQESA-N 461.979 5.920 50 10 JKGE CC(C)(C)OC(=O)NC[C@@H]1CC[S@](=O)(=NCC2(CBr)CCCCC2)C1(C)C 2163062424 LFYQPRHSPLWGDW-RKOGDMNLSA-N 465.498 5.123 50 10 JKGE Cc1c(Cl)cc(COc2ccc(Br)c(CBr)c2)cc1Br 2167396358 PWBOAZIAXPZCAR-UHFFFAOYSA-N 483.425 6.647 50 10 JKGE O=C(c1scc(Br)c1Br)N1C[C@H](Br)C2(CCCCC2)C1 2174378893 JGJPRFBDGJLPDQ-JTQLQIEISA-N 486.067 5.443 50 10 JKGE CC(C)(C)OC(=O)N1CCN(CCCCCCCCCBr)[C@@H](C(F)(F)F)C1 2186685897 YBTNTGBBQWYVGD-MRXNPFEDSA-N 459.391 5.596 50 10 JKGE FC1(F)CC2(C[C@H]2[C@@H](Br)c2cc(I)cc3c2OCC3)C1 2189396185 VFKLTGPJTJKPDE-RYUDHWBXSA-N 455.080 5.098 50 10 JKGE Fc1cc(Br)c([C@@H](Br)Cc2ccccc2Br)c(F)c1Cl 2201607558 FMCVZTMLHNYCFF-VIFPVBQESA-N 489.379 6.822 50 10 JKGE Fc1cc([C@H](Br)c2c(Br)cc(F)c(Cl)c2F)ccc1Br 2201617814 GAJZQFXOUPDVQZ-NSHDSACASA-N 493.342 6.767 50 10 JKGE C[C@H](Cl)c1nc2cc(S(C)(=O)=O)ccc2n1CCCN(Cc1ccccc1)Cc1ccccc1 2203266620 IHEOCDVVWTXGSC-NRFANRHFSA-N 496.076 5.832 50 10 JKGE COC[C@]12C[C@]([C@@H](Br)c3ccc(Br)c(C)c3Br)(CO1)C2 2206073714 KQODWVZVODYGDC-KKUMJFAQSA-N 469.011 5.152 50 10 JKGE CC(C)(C)[C@@H]1CC[C@H](Br)[C@@H](Cc2ccc(I)c(Cl)c2)C1 2208044428 MPHMOMHVSJQIMO-MJBXVCDLSA-N 469.632 6.713 50 10 JKGE Clc1cc(Br)ccc1C[C@@H](Br)c1cscc1Br 2215854311 PRMAKFXYTZLESU-SNVBAGLBSA-N 459.428 6.605 50 10 JKGE Fc1cccc(C[C@@H](Br)c2cc(Br)c(Br)cc2F)c1 2225618068 XEGNLTTXEARWNP-LLVKDONJSA-N 454.934 6.169 50 10 JKGE Fc1cc(Br)c(Br)cc1[C@@H](Br)[C@@]12CCC[C@@H](C1)OC2 2225620451 VCYCENVYQWBTRC-PCTYZZJISA-N 456.975 5.746 50 10 JKGE C[C@@H]1O[C@@]2([C@H](Br)c3c(Br)cc(Cl)c(Cl)c3Cl)CC[C@H]1C2 2232518029 YXSLBKCXWOJVAW-FMMZJVGLSA-N 463.424 6.803 50 10 JKGE Cc1cc(Br)c([C@@H](Br)c2c(F)cccc2Br)c(C)c1Cl 2232530029 OEFOKKUZYOBHPU-CQSZACIVSA-N 485.416 7.105 50 10 JKGE COCc1cc(Br)c([C@@H](Cl)Cc2ccc(Br)cc2Cl)s1 2237455525 NGKMDSKJYCIJGE-ZDUSSCGKSA-N 459.030 6.596 50 10 JKGE O=C(c1cc(Br)sc1Br)N1C[C@H]2CCCC[C@@]2(CBr)C1 2239154377 ATWCZKHBEHZEBT-YMTOWFKASA-N 486.067 5.300 50 10 JKGE Brc1ccc(Br)c([C@@H](Br)c2ccc([C@H]3CCOC3)s2)c1 2240447524 FWDUIRSQYXRBMA-BJOHPYRUSA-N 481.047 6.261 50 10 JKGE Brc1coc([C@H](Br)c2cc(I)cc3c2OCC3)c1 2258145623 ADVXVAWHOHZEGN-GFCCVEGCSA-N 483.925 5.066 50 10 JKGE CN(C[C@@H](Cl)COCc1ccccc1)C(=O)Cc1cc(Br)cc(Br)c1 2263481954 BNCAASWIAOLGGI-GOSISDBHSA-N 489.635 5.037 50 10 JKGE Clc1ccccc1[C@H](Br)Cc1cc(Br)cc(Br)c1 2263514330 ABSIAVHLJUOBSH-CYBMUJFWSA-N 453.399 6.544 50 10 JKGE CCc1cc([C@H](Br)c2cc(Cl)c(C)c(Br)c2)sc1Br 2267753721 JEOIBELQRAXOGW-CYBMUJFWSA-N 487.482 7.282 50 10 JKGE Fc1cc(F)c([C@H](Br)c2ccc(Cl)c(I)c2)c(F)c1 2268276955 KBAORXQTAVNGTI-CYBMUJFWSA-N 461.446 5.846 50 10 JKGE CC(C)CCC[C@@H](C)CCOC1(CI)CCN(C(=O)OC(C)(C)C)CC1 2269432930 ASLPUCYAFVXXEF-GOSISDBHSA-N 481.459 6.060 50 10 JKGE FC1(F)CC[C@@H]2[C@H]([C@@H](Br)Cc3cc(Br)cc(Br)c3)[C@H]21 2277946949 FNKDFZYVPSYWHR-XQHKEYJVSA-N 458.966 5.809 50 10 JKGE Brc1ccc(Br)c([C@H](Br)c2ccc3scnc3c2)c1 2278624676 NORIUJPCCHZMLB-CQSZACIVSA-N 462.004 6.306 50 10 JKGE COc1cc(Cl)c(Cl)cc1[C@H](Br)c1sc(C)c(Br)c1C 2279049262 ZVTSFPJGDFQGOY-ZDUSSCGKSA-N 459.030 6.927 50 10 JKGE CCn1ncc(Br)c1[C@H](Br)c1c(Br)cc(C)c(F)c1C 2279137023 KLJFOSPZTAYQET-GFCCVEGCSA-N 468.990 5.668 50 10 JKGE Fc1cccc(I)c1[C@H](Br)c1cc(Cl)cc2c1OCC2 2282893703 KPEZTTSWEVROOX-CQSZACIVSA-N 467.503 5.503 50 10 JKGE COc1c(Cl)cc(Br)cc1[C@H](Cl)c1cccc(Cl)c1Br 2283199912 LSZPFYRWEFYVLT-CYBMUJFWSA-N 459.392 6.855 50 10 JKGE COc1c([C@H](Br)c2cc(C)c(Br)o2)cc(Br)c(C)c1C 2284597262 WSWCWZMGHAFYNI-ZDUSSCGKSA-N 466.995 6.223 50 10 JKGE CCC(CC)([C@@H](Br)c1ccc(OC)c(I)c1)C(F)(F)F 2285008078 JMKMVAPQLKQRPC-LBPRGKRZSA-N 465.091 6.105 50 10 JKGE N#CC(=Cc1cn(-c2ccccc2)nc1-c1cc2ccccc2oc1=O)C(=O)Nc1ccccc1 2293034775 OXTVTWZXAYLXAA-UHFFFAOYSA-N 458.477 5.191 50 10 JKGE O=C(NN=CC=Cc1ccccc1)c1cc(-c2ccc(OCc3ccccc3Cl)cc2)[nH]n1 2293752405 OVUKDJUJTBWEFV-UHFFFAOYSA-N 456.933 5.738 50 10 JKGE COc1cc(C)c(Cl)cc1[C@H](Cl)c1ccc(Br)cc1I 2295298074 CUMWKMXXJDKFJA-OAHLLOKOSA-N 485.974 6.352 50 10 JKGE N#CC(C(=O)c1ccccc1)=C1S[C@@H](Cc2ccc(Br)cc2)C(=O)N1c1ccccc1 2296506746 CHLRUSZPGBCUEZ-QFIPXVFZSA-N 489.394 5.758 50 10 JKGE Cc1ccccc1CSC(Nc1cccc(Cl)c1)=C(C#N)S(=O)(=O)c1ccccc1 2297349996 KNKDSYYVGQTLOT-UHFFFAOYSA-N 455.004 6.160 50 10 JKGE N#CC(=CNc1ccc(Cl)c(C(F)(F)F)c1)c1nc(-c2ccc([N+](=O)[O-])cc2)cs1 2297477341 ADIGQHRMXMPAHF-UHFFFAOYSA-N 450.829 6.367 50 10 JKGE CCCCCCC[C@@H](Br)c1cc(Br)ccc1OCc1ccccc1 2299502769 ZNMSQJHCPCARGN-HXUWFJFHSA-N 454.246 7.825 50 10 JKGE COc1cccc(C=C(C#N)C(=O)Nc2ccc(Cl)c(Cl)c2)c1OCc1cccc(Cl)c1 2313631538 RSBKOMJHTCIJBD-UHFFFAOYSA-N 487.770 6.780 50 10 JKGE CCOc1ccc(NC(=O)C(C#N)=Cc2cc(Br)ccc2OCc2ccc(C)cc2)cc1 2313738889 WQQOAIVAZVZLBJ-UHFFFAOYSA-N 491.385 6.281 50 10 JKGE Brc1ccc(OCc2ccccc2)c([C@@H](Br)[C@@H]2C[C@H]2C2CCCC2)c1 2314444775 MVSJSHHYKWVZTD-JQVVWYNYSA-N 464.241 7.290 50 10 JKGE Brc1cc(OCc2ccccc2)ccc1[C@H](Br)C1C[C@H]2CCC[C@@H]2C1 2314446559 URKSQVPQQCACIU-DRSNIGMVSA-N 464.241 7.290 50 10 JKGE Cc1ccccc1NC(=O)C(C#N)=Cc1c(Oc2ccc(C(C)(C)C)cc2)nc2c(C)cccn2c1=O 2314531781 DXMQRNCNAMQWEW-UHFFFAOYSA-N 492.579 5.947 50 10 JKGE CC1=C(C#N)C(=O)N(Cc2ccco2)C(=O)C1=Cc1ccc(OCc2ccc(Cl)cc2Cl)cc1 2314618972 XNZHDLWATNEYGA-UHFFFAOYSA-N 493.346 5.958 50 10 JKGE CCCOc1ccc(C=C(C#N)C(=O)Nc2sc3c(c2C(=O)OC)CC[C@H](C(C)(C)C)C3)cc1 2314738988 RLGLAIUGHRKZJL-IBGZPJMESA-N 480.630 6.020 50 10 JKGE CC(C)C(C)(C)[C@@H](Br)c1c(Cl)cc(Br)c(F)c1Br 2315444296 VAIWQFSBPPHQBG-LBPRGKRZSA-N 465.426 7.122 50 10 JKGE CC(C)(C)OC(=O)N1CCC(CBr)(OCc2cccc(Cl)c2Cl)CC1 2317150747 IVNFZHSFBHOWSK-UHFFFAOYSA-N 453.204 5.675 50 10 JKGE Cc1cc(Br)c(F)c(Br)c1[C@H](Cl)c1nscc1Br 2317400686 OOIXYIZXFFZBPN-VIFPVBQESA-N 478.406 6.206 50 10 JKGE CC(C)COc1cccc(C(O)=C(C#N)c2nc(-c3ccc(-c4ccccc4)cc3)cs2)c1 2331231944 CTWCQZZCIYWDMQ-UHFFFAOYSA-N 452.579 7.462 50 10 JKGE CCCOc1ccc(-c2csc(C(C#N)=C(O)c3ccc(OCC(C)C)cc3)n2)cc1OCCC 2331293377 COBWHVQXNSLVLQ-UHFFFAOYSA-N 492.641 7.372 50 10 JKGE COCCCN1C(=O)c2ccc(C(O)=C(C#N)c3nc(-c4ccc(Cl)cc4)cs3)cc2C1=O 2331295885 QATJKGLTTMLTKA-UHFFFAOYSA-N 479.945 5.046 50 10 JKGE N#CC(=C(O)c1ccccc1C(=O)c1ccccc1)c1nc(-c2ccc3c(c2)OCO3)cs1 2331333951 QHWNSVJWGSCLRP-UHFFFAOYSA-N 452.491 5.720 50 10 JKGE CCCCCCCOc1ccc(-c2csc(C(C#N)=C(O)C(Cl)(Cl)Cl)n2)cc1 2331345865 FUNDTDXXACSHIU-UHFFFAOYSA-N 459.826 7.322 50 10 JKGE COc1cc(C)c(-c2csc(C(C#N)=C(O)COc3cc(C)c(Cl)c(C)c3)n2)cc1C(C)C 2331353865 FNJPWJVYSNQPEN-UHFFFAOYSA-N 483.033 7.392 50 10 JKGE Cc1cc(C)c(-c2csc(C(C#N)=C(O)c3cc(C(F)(F)F)cc(C(F)(F)F)c3)n2)c(C)c1 2331394398 BXGNBHNWCOILSC-UHFFFAOYSA-N 482.449 7.723 50 10 JKGE C[C@H]1OC2([C@@H](Br)c3c(Cl)cc(Br)c(F)c3Br)CC1C2 2337086718 PFNNSEILQPAIKJ-FZXYFAMSSA-N 477.393 6.008 50 10 JKGE CC(C)(F)[C@@](C)(F)[C@@H](Br)c1c(Cl)cc(Br)c(F)c1Br 2337098691 RPDALURHDYTWTR-JQWIXIFHSA-N 487.379 6.916 50 10 JKGE Fc1ccc(C[C@@H](Br)c2ccc(Cl)cc2I)cc1F 2340059102 VDMRPCAGTGTEGP-LLVKDONJSA-N 457.483 5.902 50 10 JKGE Cc1scc([C@@H](Br)c2c(Br)cc(F)c(Cl)c2F)c1Br 2343561010 CXXNUFLZGZVIHN-SNVBAGLBSA-N 495.408 6.997 50 10 JKGE C[C@@H](CBr)[C@H]1CCCCN1Cc1cc(I)ccc1Cl 2352424571 VOFSZBXHAMZPRL-XHDPSFHLSA-N 456.593 5.330 50 10 JKGE Cc1cc(Br)c(C(C)C)cc1[C@H](Br)c1ccc(Br)s1 2352798221 WUCNVVJYPSVDRM-HNNXBMFYSA-N 467.064 7.189 50 10 JKGE Cc1cc(Br)c(C(C)C)cc1[C@@H](Br)c1sncc1Br 2352799952 PWLBTOGHISVKLK-CYBMUJFWSA-N 468.052 6.584 50 10 JKGE Cc1cc(I)c(Oc2ccc(C)c(Cl)c2CBr)cc1Cl 2361690241 RLSPEYODZBRBCM-UHFFFAOYSA-N 485.974 6.902 50 10 JKGE COc1c(Br)cc(C)c([C@@H](Br)C2(CC(C)C)CC2)c1Br 2365194303 PRZYJNZPJTYJNT-OAHLLOKOSA-N 469.055 6.791 50 10 JKGE Clc1ccc(C[C@@H]2CCc3ccccc3[C@@H]2Br)c(I)c1 2366715247 PDBOBRPXNDHVQB-SUMWQHHRSA-N 461.568 6.186 50 10 JKGE ClC[C@@]12CCC[C@@H](CN(Cc3ccc(I)c(Br)c3)C1)C2 2377315953 KOKRSELEGXOZNX-CJNGLKHVSA-N 468.604 5.285 50 10 JKGE C=CC[C@]1(CCl)CCCN(Cc2ccc(I)c(Br)c2)C1 2377353079 FHJDVRVNKXYJGP-MRXNPFEDSA-N 468.604 5.451 50 10 JKGE CC(C)(C)OC(=O)NC[C@@H]1CN(C[C@](C)(CBr)C(C)(C)C)C[C@@H]1C(F)(F)F 2380195028 CYLJDUULQNCEFU-GLJUWKHASA-N 459.391 5.069 50 10 JKGE CCOc1ccc(/C=N/NC(=O)[C@H](CC)Oc2ccc3ccccc3c2Br)cc1 3175277 IQAKUZAIPZWMHR-RASHHNMQSA-N 455.352 5.309 50 10 JKGE O=C(CCC(=O)Nc1ccc(Cl)cc1Cl)N/N=C/c1cccc(OCc2ccccc2)c1 12580993 WDRQPECMEIWRMX-JFLMPSFJSA-N 470.356 5.441 50 10 JKGE CC(C)(C)c1ccc(OCC(=O)NNC(=O)COc2ccc(Cl)cc2Cl)c(C(C)(C)C)c1 14661648 OLDBZRDALZCOQW-UHFFFAOYSA-N 481.420 5.194 50 10 JKGE COc1cccc(/C=N/NC(=O)CSc2nc3ccccc3s2)c1OCc1cccc(C)c1 32520793 BHEGKTGKMRLFQZ-VULFUBBASA-N 477.611 5.435 50 10 JKGE C[C@H]1CCc2c(sc3nc(/C(C#N)=C\c4ccc(-c5cc(Cl)ccc5Cl)o4)nc(O)c23)C1 33423327 AYFVIBSMKQJBSS-VWLVURMCSA-N 482.392 7.153 50 10 JKGE COc1cccc(NC(=O)/C(C#N)=C\c2cc(Cl)c(OCc3ccc(C(=O)O)cc3)c(Cl)c2)c1 33920852 BXTGRVJXSIKUJI-NVMNQCDNSA-N 497.334 5.825 50 10 JKGE CC(C)COc1ccc(C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@@H]3c2cccc([N+](=O)[O-])c2)cc1 38653934 NRZZDHPGROVANP-RUZDIDTESA-N 485.496 5.067 50 10 JKGE CCCCOc1cccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)COc4cccc(C)c4C)ccc32)c1 38685203 GIPOCPDIAPEMEQ-LJAQVGFWSA-N 498.579 5.685 50 10 JKGE COc1ccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4oc5ccccc5c4C)ccc32)c(OC)c1 38688450 JAEYDIFNUHWCNC-VWLOTQADSA-N 482.492 5.196 50 10 JKGE Cc1cc(C)c2c(CC(=O)N/N=C3\CCCc4oc(C(=O)NCCc5ccccc5)c(C)c43)coc2c1 40826932 MIWKHISBOOXIDP-AWSUPERCSA-N 497.595 5.323 50 10 JKGE CCCCOc1ccc(/C=C(\C#N)C(=O)Nc2nc(-c3cccc(Br)c3)cs2)cc1 40927362 IQNWSZNUJSWKHJ-LDADJPATSA-N 482.403 6.297 50 10 JKGE Cc1cc(/C=N/NC(=O)c2cc3cc(Br)ccc3o2)c(C)n1-c1ccc(C(C)(C)C)cc1 59303675 YPVFXBOGKJPLQF-RWPZCVJISA-N 492.417 6.664 50 10 JKGE Cc1ccc(NC(=O)/C(C#N)=C\c2cc(Br)ccc2OCc2ccc3ccccc3c2)cc1 59335803 GVBUOHQTDMIRQQ-IWIPYMOSSA-N 497.392 7.035 50 10 JKGE Cc1ccc(-c2csc(/C(C#N)=C\Nc3ccc(Cl)cc3C(=O)c3ccccc3)n2)cc1 102421817 UUXPFOQXDYUSSY-HKWRFOASSA-N 455.970 6.980 50 10 JKGE Brc1ccc(C[C@@H](Br)c2ccc(I)cc2)cc1 104173066 XKAWMPJAMNKNLD-CQSZACIVSA-N 465.954 5.732 50 10 JKGE Clc1ccc(C[C@@H](Br)c2cccc(I)c2)cc1Cl 110305636 RGHWKJBYNRWDHC-GFCCVEGCSA-N 455.948 6.277 50 10 JKGE COc1ccc([C@@H](Br)c2cc(Cl)c(Br)s2)c(OC)c1OC 128146812 SDESPRGTWSISDI-LLVKDONJSA-N 456.583 5.674 50 10 JKGE FC(F)(F)c1ccc(Br)c([C@H](Br)c2ccc(Br)s2)c1 159842299 WDQJMDFIGLXLCW-NSHDSACASA-N 478.953 6.776 50 10 JKGE CCOc1cc(Cl)c([C@@H](Br)c2csc(I)c2)cc1Cl 167010780 LRGSOSIISMYJMB-ZDUSSCGKSA-N 492.003 6.543 50 10 JKGE Cc1ccc(S(=O)(=O)OC[C@@H](C)[C@@H]2CC[C@@H]3[C@@H](O[Si](C)(C)C(C)(C)C)CCC[C@]23C)cc1 169878779 YPZVZHFTOWMQHV-RNEGGKCOSA-N 480.787 6.943 50 10 JKGE CCOC(=O)/C(C#N)=C\c1ccc(OC(=O)COc2ccc(C(C)(C)c3ccccc3)cc2)c(OC)c1 206401605 IROQUFTZCDHCOG-XLNRJJMWSA-N 499.563 5.476 50 10 JKGE CCCCNC(=O)/C(C#N)=C/c1ccc(OC(=O)/C(=C\c2ccccc2)c2ccccc2)c(OC)c1 207112628 PNOMHEIUJNLAIY-JLEGWWTQSA-N 480.564 5.665 50 10 JKGE COC(=O)c1c(NC(=O)/C(C#N)=C\c2ccc(-c3cccc(F)c3)o2)sc2c1CCCC2 209397236 CSRVPCYPBNGAOW-QINSGFPZSA-N 450.491 5.358 50 10 JKGE CCCCOc1ccc(-c2nn(-c3ccccc3)cc2/C=C2\C(=O)N(CC)C(=O)C(C#N)=C2C)cc1F 214210511 XCNOBLAOOYMMJP-HAHDFKILSA-N 498.558 5.469 50 10 JKGE CCCN1C(=O)C(C#N)=C(C)/C(=C/c2cn(-c3ccccc3)nc2-c2ccc(OCC)cc2C)C1=O 214217128 HWSYRIWQPSVJNG-XYGWBWBKSA-N 480.568 5.249 50 10 JKGE Brc1ccc([C@@H](Br)c2ccc(Br)cc2Br)cc1 232483058 CSDVKJXQUVOPIH-CYBMUJFWSA-N 483.823 6.458 50 10 JKGE CCOc1ccc([C@@H](Cl)c2ccc(F)cc2I)c(Br)c1 233798126 GTSJMUGSQIANIJ-OAHLLOKOSA-N 469.519 5.920 50 10 JKGE COc1ccc([C@H](Br)c2cc(Br)cc(Br)c2)c(F)c1 234991562 LOZSIDQBWDGQNE-CQSZACIVSA-N 452.943 5.844 50 10 JKGE Cc1ccc([C@H](Br)c2cc(I)ccc2Br)c(C)c1 235910708 WXJSOKYVHRBMBT-HNNXBMFYSA-N 479.981 6.155 50 10 JKGE O=C(NN=Cc1c(-c2ccccc2)nc2sc3c(n12)CCCC3)c1ccc(Br)cc1 254699777 ZGWNWGXTBVGLJL-UHFFFAOYSA-N 479.403 5.468 50 10 JKGE Cc1ccc(-n2c(C)cc(C=NNC(=O)c3ccc(CSCc4ccccc4)cc3)c2C)c(C)c1 254716177 MWRFTSFLNHFYIL-UHFFFAOYSA-N 481.665 6.908 50 10 JKGE Brc1cc([C@@H](Br)c2cc3c(cc2Br)OCCO3)co1 378913063 KTMDSBREABXLSQ-CYBMUJFWSA-N 452.924 5.060 50 10 JKGE Cc1cc(Br)ccc1[C@H]1CN(C(=O)OCc2ccccc2)C[C@H]1CBr 382694296 JXEGCMHXJNANOS-APWZRJJASA-N 467.201 5.505 50 10 JKGE O=C(OCc1ccccc1)N1C[C@@H](CBr)[C@H](c2ccc(Br)s2)C1 382711404 HIZJASRONYKAFQ-ZIAGYGMSSA-N 459.203 5.258 50 10 JKGE CCCc1nn(C)c2c1nc(CCCl)n2CCCN(Cc1ccccc1)Cc1ccccc1 390457626 AQXCBVCQUIHICH-UHFFFAOYSA-N 464.057 5.596 50 10 JKGE COc1cc([C@@H](Br)c2coc(Br)c2)c(OC)cc1Br 394229908 MCRNUYZEFATCEU-ZDUSSCGKSA-N 454.940 5.306 50 10 JKGE Fc1cc(F)c(F)c([C@@H](Br)c2ccc(Br)cc2Br)c1F 396110379 VLWORMCYSVXYES-NSHDSACASA-N 476.887 6.252 50 10 JKGE COc1cc(F)c(Br)cc1[C@H](Br)c1cscc1Br 404722326 VIVVZIMUDNNCSL-LBPRGKRZSA-N 458.972 5.905 50 10 JKGE C[C@@H]1CC[C@@](C)([C@@H](Br)c2cc(Br)sc2Br)C1(C)C 699124530 YDSPAEMSVXTZMZ-YKHWKNEFSA-N 459.085 7.172 50 10 JKGE C[C@@]12CN(Cc3ccccc3)C[C@]1(C)CN(c1cccc(Br)c1CBr)C2 705963597 VPVVVXXRIOEEAB-SZPZYZBQSA-N 478.272 5.692 50 10 JKGE CC1(C)C[C@H]([C@@H](Br)c2cc(Br)sc2Br)C(C)(C)O1 710058767 QUJOCCZQIZIPMN-SCZZXKLOSA-N 461.057 6.303 50 10 JKGE FC(F)(F)OCCCOc1c(Br)cc(Br)cc1CBr 713428705 VSIDADFBZKOLII-UHFFFAOYSA-N 470.905 5.412 50 10 JKGE Brc1cc([C@H](Br)[C@@H]2CCC[C@H]3CCCC[C@@H]32)sc1Br 714453764 AIRNAEUDPKGUPS-FBKDDSFISA-N 471.096 7.316 50 10 JKGE COc1cc(/C=C(/C#N)C(=O)Nc2cc([N+](=O)[O-])ccc2Cl)ccc1OCc1cccc(Cl)c1 1083982775 ICKXGPWMNQPLEX-MFOYZWKCSA-N 498.322 6.035 50 10 JKGE COc1cccc(/C=C(/C#N)C(=O)Nc2cccc(Cl)c2Cl)c1OCc1cccc(Cl)c1 1084089881 HWBZXTLRTKWUHM-ATVHPVEESA-N 487.770 6.780 50 10 JKGE CCOc1cc(C=NNC(=O)CCCOc2ccc(C(C)(C)C)cc2Br)ccc1O 1772755684 OLKUZVARUGOBAP-UHFFFAOYSA-N 477.399 5.160 50 10 JKGE N#CSc1ccc(NC(=O)Oc2cccc3c(NC(=O)c4cc(F)ccc4F)cccc23)cc1 1858778830 CFNWVXHIIRCDIO-UHFFFAOYSA-N 475.476 6.554 50 10 JKGE N#CC1=C(N)Oc2c(c(-c3ccccc3)nn2-c2ccc(Br)cc2)[C@H]1c1ccc(O)cc1 1865683428 DDTNPJIBGIHOQA-NRFANRHFSA-N 485.341 5.226 50 10 JKGE Cc1nn(-c2ccc(Cl)c(Cl)c2)c2c1[C@H](c1c(Cl)cccc1Cl)C(C#N)=C(N)O2 1865685763 MTJSQHXBCNHJHF-QGZVFWFLSA-N 466.155 6.013 50 10 JKGE CCCc1nn(Cc2c(F)cccc2Cl)c2c1[C@H](c1c(Cl)cccc1Cl)C(C#N)=C(N)O2 1865686228 SKLAWQNXYQUYMB-IBGZPJMESA-N 491.781 6.201 50 10 JKGE CCc1nn(Cc2ccccc2Cl)c2c1[C@H](c1c(OC)ccc3ccccc13)C(C#N)=C(N)O2 1865688484 SSZJSTRZANUHTK-DEOSSOPVSA-N 470.960 5.527 50 10 JKGE CCCOc1ccc([C@@H]2C(C#N)=C(N)Oc3c2c(CC)nn3Cc2cc(C)ccc2C)cc1OCC 1865691170 LJDVNPPYDYRUJH-AREMUKBSSA-N 486.616 5.516 50 10 JKGE CCCOc1cccc([C@@H]2C(C#N)=C(N)Oc3c2c(CCC)nn3Cc2cc(C)ccc2C)c1 1865693593 KVRHUFUPNGJETO-RUZDIDTESA-N 456.590 5.508 50 10 JKGE CCCc1nn(Cc2cccc(Cl)c2)c2c1[C@H](c1ccc(OCC)c(OC)c1)C(C#N)=C(N)O2 1865695048 IKXFTLXDXALWDZ-HSZRJFAPSA-N 478.980 5.163 50 10 JKGE CCCc1nn(-c2cccc(Cl)c2)c2c1[C@@H](c1cc(Br)ccc1O)C(C#N)=C(N)O2 1865695575 DYLRKCQYLUUADQ-IBGZPJMESA-N 485.769 5.164 50 10 JKGE COc1ccc(-c2nn(Cc3c(F)cccc3Cl)c3c2[C@@H](c2ccco2)C(C#N)=C(N)O3)cc1 1865697875 DPCJMVQQCSVHGD-OAQYLSRUSA-N 476.895 5.211 50 10 JKGE COc1ccc(-c2nn(-c3ccc(Cl)c(Cl)c3)c3c2[C@@H](c2cccnc2)C(C#N)=C(N)O3)cc1 1865700456 UJHJAOLGIRGFHQ-NRFANRHFSA-N 490.350 5.468 50 10 JKGE CCCOc1ccccc1[C@@H]1C(C#N)=C(N)Oc2c1c(CCC)nn2Cc1c(F)cccc1Cl 1865703668 YQRZBWHWKUNZHS-HSZRJFAPSA-N 480.971 5.683 50 10 JKGE CCCc1nn(Cc2ccc(Cl)c(Cl)c2)c2c1[C@H](c1cccc(F)c1)C(C#N)=C(N)O2 1865711435 YKGJWDWCAUXMLR-HXUWFJFHSA-N 457.336 5.548 50 10 JKGE CC/C(=C\C(=O)N[C@@H](Cc1ccccc1)C(=O)Nc1ccc(SC#N)cc1)c1ccc(OC)cc1 1866687813 MXIOBVVBCYQBTK-FHNXWNBASA-N 485.609 5.428 50 10 JKGE Cc1oc2cc(OCc3ccc(CCl)cc3)ccc2c(=O)c1-c1ccc(Br)cc1 1871437930 HRZYWMVBGLGXGN-UHFFFAOYSA-N 469.762 6.849 50 10 JKGE CCOc1cc(/C=C(\C#N)c2cc3c(cc2[N+](=O)[O-])OCCO3)ccc1OCc1ccccc1 1872728421 AVAUTFXJCWFHCP-UDWIEESQSA-N 458.470 5.408 50 10 JKGE CCOc1ccc(/C=C(C(/O)=C(\C#N)c2nc(-c3ccccc3)cs2)\c2ccccc2)cc1 1872747710 RBPLHVLITSVWTD-ONAQTOJVSA-N 450.563 7.242 50 10 JKGE N#C/C(=C(O)\C=C\c1ccc(OCc2ccccc2)cc1)c1nc(-c2ccc(Cl)cc2)cs1 1872748222 NSSAJKAWDFPYBR-PLRMCZRGSA-N 470.981 7.549 50 10 JKGE COc1ccc(OC/C(O)=C(\C#N)c2nc(-c3cccc(Cl)c3)cs2)c(C(C)(C)C)c1 1872748294 RIOYKTUQRYLMOQ-UZYVYHOESA-N 454.979 6.641 50 10 JKGE C[C@@H](Oc1ccc(Cl)cc1Cl)/C(O)=C(\C#N)c1nc(-c2cccc(Cl)c2)cs1 1872748323 SIUYKABEMATRSY-QNPMFDGYSA-N 451.762 7.030 50 10 JKGE CCc1ccc(OCCC/C(O)=C(\C#N)c2nc(-c3ccc(C)cc3)cs2)c(Br)c1 1872749250 IIPDLUABVCNRAA-QOCHGBHMSA-N 483.431 7.095 50 10 JKGE COc1ccc(OC)c(/C=C/C(O)=C(\C#N)c2nc(-c3ccc(Oc4ccccc4)cc3)cs2)c1 1872753540 CAGCGHHUVBKKNA-MFEYTRKPSA-N 482.561 7.126 50 10 JKGE COc1c(C)cc(Cl)cc1-c1csc(/C(C#N)=C(\O)c2ccc(Cl)c([N+](=O)[O-])c2)n1 1872757134 RRVZBRBABUZRMI-JXAWBTAJSA-N 462.314 6.292 50 10 JKGE COc1ccc(Cl)cc1-c1csc(/C(C#N)=C(\O)CCc2nc3ccccc3[nH]c2=O)n1 1872758602 IALZOVYZNJZYRH-HKWRFOASSA-N 464.934 5.134 50 10 JKGE COc1cc(/C=C(\C#N)c2nc(-c3ccc(C)c(C)c3)cs2)cc(Br)c1OC(C)C 1872793466 BEVMSXWDHLPOFX-DJKKODMXSA-N 483.431 7.049 50 10 JKGE COc1cccc(/C=N/NC(=O)CCCCCNC(=O)OC(C)(C)C)c1OCc1cccc(C)c1 1873795594 SJEWWLCQKLWZLF-RDRPBHBLSA-N 483.609 5.118 50 10 JKGE C[C@H](CCBr)N(Cc1ccccc1)C(=O)c1ccc(Br)c(C(F)(F)F)c1 1915090484 LLMRDJCPBOSQII-CYBMUJFWSA-N 493.161 6.284 50 10 JKGE COC1(C(F)(F)[C@@H](Cl)c2c(Br)sc(Br)c2Cl)CCC1 1923066871 WCUISKRAUMAXPW-ZETCQYMHSA-N 458.977 6.411 50 10 JKGE Brc1cnccc1C[C@H](Br)c1cccc(Br)c1Br 1924020858 IEDLZFZHROQZQZ-NSHDSACASA-N 498.838 6.048 50 10 JKGE FC1(F)CCC[C@H]1C[C@@H](Cl)c1c(Br)sc(Br)c1Br 1924612611 CMBXAIYYMUVKAT-NTSWFWBYSA-N 487.429 7.141 50 10 JKGE O=C(N[C@@H](CBr)CC1CCCCC1)c1cc(Br)sc1Br 1926774440 CFIHISSERGKYFF-SNVBAGLBSA-N 488.083 5.737 50 10 JKGE FC1(F)[C@@H]([C@H](Br)c2cc(Br)sc2Br)C12CCC2 1944839386 JUQQOCLMKGTJIF-SFYZADRCSA-N 450.968 6.145 50 10 JKGE CCC(CC)(CC)[C@H](Cl)c1c(Br)sc(Br)c1Br 2011187451 QGSPSBPWAFXSER-SECBINFHSA-N 467.492 7.532 50 10 JKGE Cc1cscc1COc1c(Br)cc(CBr)cc1Br 2028495304 LAFYUPRITCKXNJ-UHFFFAOYSA-N 455.009 6.055 50 10 JKGE CCc1cc(Br)c([C@H](Br)c2cc(F)ccc2Br)s1 2029232282 GUQUZOGQEVHOAU-GFCCVEGCSA-N 457.000 6.459 50 10 JKGE CC[C@@H](C)N(Cc1ccccc1)S(=O)(=O)c1cc(Br)cc(CBr)c1F 2059290725 CJVXTOMAHADEOJ-CYBMUJFWSA-N 493.236 5.473 50 10 JKGE CC(C)(C)OC(=O)N1CCC(CBr)(OCc2cc(Cl)cc(Cl)c2)CC1 2077243522 ZSACJFSFUJICSF-UHFFFAOYSA-N 453.204 5.675 50 10 JKGE Cc1cc([C@H](Br)Cc2ccc(Br)cc2)ccc1I 2086023766 PACKBHMDSFVNIW-CQSZACIVSA-N 479.981 6.041 50 10 JKGE Fc1ccc([C@@H](Cl)c2c(Br)cccc2Br)c(F)c1Br 2094096628 ZOTUJONUZDCOKF-GFCCVEGCSA-N 475.352 6.581 50 10 JKGE Fc1c(Br)ccc(Oc2ccc(CBr)c(Br)c2)c1F 2096330897 RFJAMKHOCNKRMM-UHFFFAOYSA-N 456.906 6.177 50 10 JKGE FC1(F)[C@H]2C[C@@](CBr)(Cc3cc(Cl)ccc3I)C[C@H]21 2107642784 JJMXVBXWDGRFBM-PTEHBNRSSA-N 461.515 5.544 50 10 JKGE Fc1cc([C@H](Br)c2c(Cl)cccc2Br)c(F)cc1Br 2113158416 FMOXOCWWCGNYRE-ZDUSSCGKSA-N 475.352 6.628 50 10 JKGE CN(C[C@H]1CCCCN1Cc1ccccc1)c1cc(Br)cc(F)c1CBr 2114268130 TWSPEUQXQCDXCH-GOSISDBHSA-N 484.251 5.974 50 10 JKGE C[C@H]1CC[C@@H](COc2c(Br)cc(Br)cc2CBr)OC1 2116417001 CVYLBPYHCHOWBB-CABZTGNLSA-N 457.000 5.300 50 10 JKGE F[C@@H](COc1c(Br)cc(CBr)cc1Br)C1CCCC1 2121595447 FDFCILCJYDHQJK-ZDUSSCGKSA-N 458.991 6.014 50 10 JKGE C[C@@H](N(Cc1ccccc1)S(=O)(=O)c1ccc(Cl)c(CBr)c1)C(C)(C)C 2123201159 SNGLCXJKZRLVSS-OAHLLOKOSA-N 458.849 5.860 50 10 JKGE CC1(C)C[C@](C)(CBr)CN1C(=O)c1cc(Br)c(Br)s1 2134833384 RCYYSHGQYBOKSW-CYBMUJFWSA-N 474.056 5.299 50 10 JKGE Clc1c(Br)sc(Br)c1[C@H](Br)C1C[C@H]2COC[C@H](C1)C2 2141798363 OHBLVLFSDFNGBE-MHYGZLNHSA-N 493.486 6.425 50 10 JKGE COc1ccc([C@H](Br)c2cc(Br)c(C)cc2Br)cc1C 2150414323 DNTMGNSNJKUQCD-INIZCTEOSA-N 463.007 6.321 50 10 JKGE Cl[C@@H](c1c(Br)cccc1Br)c1csc2c(Br)cccc12 2150495473 XGVMPEJWADUQAW-CQSZACIVSA-N 495.461 7.517 50 10 JKGE ClCc1nc2cc(Cl)c(Br)cc2n1CCc1cnn(Cc2ccccc2)c1 2168998618 IMBRHBJFALOJBT-UHFFFAOYSA-N 464.194 5.679 50 10 JKGE Cc1nc([C@@H](Br)c2ccc(Br)c3ccccc23)c(Br)s1 2169496878 UVJODESUCLZWFQ-ZDUSSCGKSA-N 476.031 6.614 50 10 JKGE CC1(CO[C@](C)(CI)c2ccccc2Br)CC(F)(F)C1 2192161076 UCINPKIHEYNILS-CQSZACIVSA-N 459.112 5.551 50 10 JKGE CCc1nn(C)c([C@@H](Cl)c2cc(Br)c(C)cc2Br)c1Br 2192385563 UUVCKTRPHLDHMD-ZDUSSCGKSA-N 485.445 5.907 50 10 JKGE Fc1ccccc1C(CBr)(CBr)Cc1cc(Cl)sc1Cl 2195408296 ZGGVNHUIMBCINJ-UHFFFAOYSA-N 461.021 6.464 50 10 JKGE Cc1cc(Br)c(C)c([C@H](Br)[C@@H]2C[C@@H]3CC[C@H](C2)O3)c1Br 2201078267 MIVFLSBDNJLLCT-AZKPJATDSA-N 467.039 6.222 50 10 JKGE COC1CC(CC[C@@H](Br)c2c(C)c(Br)cc(C)c2Br)C1 2201080244 XKBDZBVXGHWKNK-WXRRBKDZSA-N 469.055 6.470 50 10 JKGE COc1cccc([C@@H](Br)c2ccc(Br)c(C)c2Br)c1F 2203683863 IFYJPARNOQUXNT-AWEZNQCLSA-N 466.970 6.152 50 10 JKGE Cc1cc(Br)c(C(=O)N(Cc2ccccc2)[C@@H](CBr)C(C)C)s1 2211919077 WPXVFVWCZPRDTA-INIZCTEOSA-N 459.247 5.881 50 10 JKGE CC1(C)C[C@@]1(Cl)[C@@H](Br)c1c(Br)sc(Br)c1Cl 2211989021 BPILVFNUXUODJC-QUBYGPBYSA-N 471.867 6.770 50 10 JKGE COc1ccc(C(=O)N(Cc2ccccc2)[C@H](CBr)C(C)C)c(Br)c1 2223967352 IJSOIJGYDLSMFZ-LJQANCHMSA-N 469.217 5.520 50 10 JKGE FC[C@]12C[C@]([C@@H](Br)c3c(Br)cc(Cl)c(Cl)c3Cl)(CO1)C2 2232519217 JVDZPZRENNPXQW-AVGNSLFASA-N 467.387 6.364 50 10 JKGE Cc1cc(Br)c([C@@H](Br)c2cccc(F)c2F)c(C)c1Br 2235601571 AMTZYGASDIVMIX-AWEZNQCLSA-N 468.961 6.591 50 10 JKGE FC(F)(F)Oc1ccc(Cl)cc1[C@H](Br)c1csc(I)c1 2239621328 YYXLMMVAFNNXOW-LLVKDONJSA-N 497.501 6.389 50 10 JKGE COc1ccc([C@@H](Br)c2scc(Cl)c2Cl)c(Br)c1Cl 2268277409 LKLVZNYIMBGXOQ-SECBINFHSA-N 465.421 6.964 50 10 JKGE CC1(C)C([C@H](Br)c2c(F)cc(Br)c(F)c2Br)C1(C)C 2272739209 LFJWXWXECQEKLD-SNVBAGLBSA-N 460.982 6.608 50 10 JKGE CC1([C@@H](Br)c2cc(Br)c(Br)cc2F)CC(C(F)(F)F)C1 2279200214 ZPNWVMUVVHQICZ-WQGPLGNCSA-N 482.935 6.765 50 10 JKGE C[C@@H]1C[C@@H]2C[C@@H]2C[C@H]1[C@@H](Br)c1c(F)cc(Br)c(F)c1Br 2288373874 NIIHTDPZLBVZON-PCQLPTCXSA-N 472.993 6.608 50 10 JKGE CC[C@@]12CC[C@@]([C@@H](Br)Cc3cc(Br)cc(Br)c3)(CO1)C2 2295331088 DWLKCLHJTDDTKD-JYJNAYRXSA-N 467.039 5.867 50 10 JKGE COCC1([C@H](Br)Cc2cc(Br)cc(Br)c2)CCCCC1 2295343692 ZPVJXHUTGSMZJX-OAHLLOKOSA-N 469.055 6.115 50 10 JKGE CCN(CC)CCOC(=O)c1ccc(NC=C(C#N)c2nc(-c3ccc4c(c3)OCO4)cs2)cc1 2296049255 VBNNAZYCENJPPE-UHFFFAOYSA-N 490.585 5.014 50 10 JKGE CC12CC([C@@H](Br)c3cc(Br)ccc3OCc3ccccc3)(CO1)C2 2299505147 UJCMQCZTCUSSRN-HDYDNRTBSA-N 452.186 6.033 50 10 JKGE Fc1c(Br)cc(Cl)c([C@@H](Br)CCC(F)F)c1Br 2300169714 BKHZXXGNWRARBJ-BYPYZUCNSA-N 459.325 6.485 50 10 JKGE CCCc1sc(Br)cc1[C@H](Cl)c1cc(I)sn1 2300651447 YRUMMOAAAJFIPW-NSHDSACASA-N 462.603 5.852 50 10 JKGE BrC[C@@H](COc1cc(Br)cc(I)c1)C1CCC1 2301129929 PPSMGLHXQVNVNS-JTQLQIEISA-N 473.974 5.244 50 10 JKGE Cc1ccc(NC(=O)C(C#N)=Cc2cc(Cl)ccc2OCc2ccc(Cl)cc2Cl)cc1 2313540941 FHPYDEOAGYNPJI-UHFFFAOYSA-N 471.771 7.080 50 10 JKGE N#CC(=Cc1ccc(OCc2c(Cl)cccc2Cl)cc1)C(=O)Nc1cc(Cl)ccc1Cl 2313631015 IQHUBGXHZZCNEZ-UHFFFAOYSA-N 492.189 7.425 50 10 JKGE C[C@@H]1O[C@@]2([C@@H](Br)c3ccc(OCc4ccccc4)cc3Br)CC[C@H]1C2 2314442803 DACMYPOILHBLRR-ACRWPFGISA-N 466.213 6.422 50 10 JKGE CCOC(=O)c1c(NC(=O)C(C#N)=Cc2ccc(C(C)(C)C)cc2)sc2c1CC[C@H](C)C2 2314571711 KQRRJQSNCWJCGZ-INIZCTEOSA-N 450.604 5.893 50 10 JKGE CCOC(=O)c1c(NC(=O)C(C#N)=Cc2cn(Cc3ccccc3)c3ccccc23)sc(C)c1C 2314717364 IRLPBHPBYZWQOT-UHFFFAOYSA-N 483.593 6.090 50 10 JKGE COc1cc(C=CC#N)ccc1OC(=O)COc1cc(C)c(Cl)c(C)c1Br 2314795981 KTGJLGRYZOUEBD-UHFFFAOYSA-N 450.716 5.249 50 10 JKGE Cc1sccc1[C@H](Br)c1c(Cl)cc(Br)c(F)c1Br 2315442125 PMPIQXNQHWGMNX-JTQLQIEISA-N 477.418 6.858 50 10 JKGE Brc1cccc(Br)c1CO[C@@H]1CCCCC[C@@H]1I 2318172589 LGCPPWQZFMJQQI-UONOGXRCSA-N 488.001 5.865 50 10 JKGE Clc1c(Br)sc(Br)c1[C@H](Br)C[C@H]1CC[C@H]1C1CC1 2319585218 CENLCRNXZBHVNM-HRDYMLBCSA-N 477.487 7.189 50 10 JKGE CCSc1ccc(Cl)cc1CC(=O)NN=Cc1ccc(OC(=O)c2ccccc2)cc1 2323681114 FOSSPDCDRXNBNG-UHFFFAOYSA-N 452.963 5.364 50 10 JKGE CCCCOc1ccc(C=NNC(=O)c2ccc3nc(Cc4ccc(OC)cc4)[nH]c3c2)cc1 2323720727 ARSCMLCLBCKVQM-UHFFFAOYSA-N 456.546 5.105 50 10 JKGE COc1cc2nc(C(C#N)=Cc3c(O)ccc4cc(Br)ccc34)nc(O)c2cc1OC 2331042669 VUHFIWUYNBMXRY-UHFFFAOYSA-N 478.302 5.038 50 10 JKGE N#CC(=C(O)Cc1ccc(Cl)c(Cl)c1)c1nc(-c2cccc(Br)c2)cs1 2331276630 YMMADWKPHJASPU-UHFFFAOYSA-N 466.187 6.915 50 10 JKGE N#CC(=C(O)CCN1C(=O)c2ccccc2C1=O)c1nc(-c2cc(Cl)ccc2Cl)cs1 2331403968 OOIPCYGZJONTCK-UHFFFAOYSA-N 470.337 5.596 50 10 JKGE COc1c(Cl)cc(-c2csc(C(C#N)=Cc3ccc(Br)cc3)n2)cc1Cl 2331481041 VFKRWPVQTXBFEF-UHFFFAOYSA-N 466.187 6.952 50 10 JKGE Cn1cc(Cl)c([C@@H](Br)c2c(F)cc(Cl)c(Br)c2Cl)n1 2335286634 WAROQKNKIHJVTH-VIFPVBQESA-N 451.348 5.766 50 10 JKGE Brc1ccc(OCc2ccccc2)c([C@@H](Br)[C@@H]2C[C@H]2C2CCCCC2)c1 2336041577 OZISRJVTPXAPDJ-MZKRTTBSSA-N 478.268 7.681 50 10 JKGE Cc1c(Br)ccc([C@H](Br)[C@]23C[C@H](C[C@@H](C)O2)C3)c1Br 2342635779 XNQLEBLCEDPLCG-YFMBFUTQSA-N 453.012 5.914 50 10 JKGE CC1(C)CCCN(Cc2ccc(I)c(Br)c2)[C@@H]1CCl 2349838279 VRADPNBENNEGNA-CQSZACIVSA-N 456.593 5.283 50 10 JKGE COc1c([C@H](Br)c2c(F)cc(Cl)c(Br)c2Cl)csc1Cl 2360484760 VMABTUYZOVTODJ-QMMMGPOBSA-N 483.411 7.103 50 10 JKGE FC(F)(F)[C@@H]1C[C@@H](Br)CCN1Cc1c(Br)cccc1Br 2361419833 CJGVKHBAWHTWHP-UFBFGSQYSA-N 479.960 5.502 50 10 JKGE Fc1c(Br)cc(Cl)c([C@H](Br)[C@H]2[C@@H]3[C@H]2CCC3(F)F)c1Br 2362227874 KIJFGNQCUFCPLG-YJPQIIHGSA-N 497.374 6.731 50 10 JKGE Cc1ccc(OCc2ccc(I)c(Br)c2)c(CCl)c1Cl 2377625818 VZHGCSGBRHDZOU-UHFFFAOYSA-N 485.974 6.333 50 10 JKGE CC(C)(C)OC(=O)N[C@@H]1CCN(C[C@@](C)(CBr)C(C)(C)C)[C@@H](C(F)(F)F)C1 2380191379 OBSZGRMODBGHII-HBUWYVDXSA-N 459.391 5.354 50 10 JKGE C=CCOc1ccc(/C=C(/C#N)C(=O)Nc2ncc(Cc3cc(Cl)ccc3Cl)s2)cc1 1767418 KLLLQHVWHQOZME-YVLHZVERSA-N 470.381 6.151 50 10 JKGE CCSc1ccsc1[C@@H]1C(C#N)=C(N)N(c2ccc(Cl)cc2[N+](=O)[O-])C2=C1C(=O)CCC2 27550413 OXWRVRMGQTXEHJ-LJQANCHMSA-N 487.006 5.726 50 10 JKGE CCOC(=O)c1ccc(NC(=O)/C(C#N)=C\c2ccc(-c3ccc(Br)cc3)o2)cc1 33339815 IYAKFXYRYDNHCW-LGMDPLHJSA-N 465.303 5.431 50 10 JKGE COc1cc(/C=C(/C#N)c2nc3ccccc3s2)ccc1OCc1ccc(Br)cc1 33378413 CEJFKDTXYCVJCQ-PDGQHHTCSA-N 477.383 6.711 50 10 JKGE N#C/C(=C/c1cc2cc(Br)ccc2nc1Cl)c1nc(-c2ccc([N+](=O)[O-])cc2)cs1 33391351 HWJIYMVEJZRFNU-NVNXTCNLSA-N 497.761 6.747 50 10 JKGE COc1ccc(OCCOc2c(Cl)cc(Cl)cc2/C=C(/C#N)C(=O)Nc2ccc(C)cc2)cc1 33863170 PVWNCNKLGQOMRX-UYRXBGFRSA-N 497.378 6.314 50 10 JKGE Cc1ccc2c(c1)/C(=N\NC(=O)c1cc(-c3ccccc3)nc3ccccc13)C(=O)N2CC(C)C 38180250 NSSXPYDTVUQNMH-TVKQRKNISA-N 462.553 5.347 50 10 JKGE CCCCOc1cccc(C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@@H]3c2ccc(Cl)cc2)c1 38651399 CBQBUFJCSDZSDN-RUZDIDTESA-N 474.944 5.956 50 10 JKGE CC(C)CCOc1cccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4ccccc4F)ccc32)c1 38684708 YQWSNXMCXQIVIY-SANMLTNESA-N 472.516 5.688 50 10 JKGE C=CCc1ccc(OCCOc2ccccc2/C=C(/C#N)C(=O)Nc2ccc(C)cc2)c(OC)c1 96488834 ZWEVSFUCNYUPDY-CLCOLTQESA-N 468.553 5.736 50 10 JKGE CC1=C(C#N)C(=O)N(Cc2ccc(F)cc2)C(=O)/C1=C/c1ccc(-c2ccc(Br)cc2)o1 101340592 HGUISRPGIWJSAC-CIAFOILYSA-N 491.316 5.641 50 10 JKGE N#C/C(=C/c1c(Oc2ccc(Cl)cc2Cl)nc2ccccn2c1=O)C(=O)NCc1ccccc1 102685438 OUNJCMCDQOWQBG-ATVHPVEESA-N 491.334 5.017 50 10 JKGE CC(C)(C)[C@H]1CCc2c(sc3ncn(CC(=O)/C(C#N)=C4/Nc5ccccc5S4)c(=O)c23)C1 103908265 GJCYXYLLQRDTCA-DJFNHCPNSA-N 476.627 5.131 50 10 JKGE FC(F)Oc1ccc([C@H](Br)c2cc(Br)sc2Br)cc1 104025441 ZMSITOPQSHDCML-JTQLQIEISA-N 476.962 6.359 50 10 JKGE Fc1cc(Br)ccc1COc1c(Br)cccc1CBr 110378363 FTAAFAMCAAMULR-UHFFFAOYSA-N 452.943 5.825 50 10 JKGE BrCC(CBr)(Cc1cccs1)c1cccc(Br)c1 118671876 XLLAVWYROQNZRS-UHFFFAOYSA-N 453.037 5.781 50 10 JKGE Fc1ccc(C(F)(F)F)cc1[C@H](Cl)c1cc(Br)sc1Br 125423882 UAZCEOSWKQOZNG-JTQLQIEISA-N 452.492 6.759 50 10 JKGE Clc1cccc(C[C@@H](Br)c2cc(Br)c(Br)s2)c1 128192467 FHAMDGIMRGUZCK-SECBINFHSA-N 459.428 6.605 50 10 JKGE Clc1cc2c(cc1[C@@H](Cl)c1cc(Br)c(Br)s1)OCCO2 128544355 UEEIJWIZLXMQEU-GFCCVEGCSA-N 458.986 6.026 50 10 JKGE Brc1cccc(C[C@@H](Br)c2csc3c(Br)cccc23)c1 163514753 SDLOWROUPWNPJZ-OAHLLOKOSA-N 475.043 7.105 50 10 JKGE CCCCc1ccc(N(C(=O)/C(C#N)=C\c2ccc(OC)cc2)S(=O)(=O)c2ccccc2)cc1 207129051 NDBUNNHZACHEPT-NMWGTECJSA-N 474.582 5.367 50 10 JKGE Cc1cc(C)c(N/C=C(/C#N)C(=O)Nc2ccc(I)cc2C)c(Cl)c1 217254268 IIAVLOHPCPKKIK-UVTDQMKNSA-N 465.722 5.328 50 10 JKGE Cc1sc([C@H](Br)c2csc(I)c2)cc1Br 227831934 HIUWPLXDESIICH-SNVBAGLBSA-N 478.012 5.969 50 10 JKGE Brc1ccc(I)cc1[C@H](Br)c1ccc2c(c1)CCC2 232451960 DJQDETHYCCWECM-MRXNPFEDSA-N 491.992 6.027 50 10 JKGE CC(C)(C)n1c(CBr)nnc1-c1cc(Br)cc(Br)c1 232522324 QBCMKUMHAFLPDV-UHFFFAOYSA-N 451.988 5.120 50 10 JKGE Cc1ccc(C[C@H](Br)c2cc(I)ccc2Br)cc1 235920495 CJSLZPBPHCIMQN-HNNXBMFYSA-N 479.981 6.041 50 10 JKGE CC(=NNC(=O)CSc1nnc(-c2ccc(C)cc2)n1-c1ccc(C)cc1)c1cccs1 254498127 LHVDZFGAXBDUQL-UHFFFAOYSA-N 461.616 5.245 50 10 JKGE Cc1ccc(COc2ccc(C=NNC(=O)c3ccc(OCc4ccccc4)cc3)cc2)cc1 254834069 TYDZZROONSHTPP-UHFFFAOYSA-N 450.538 5.917 50 10 JKGE Cc1cccc([C@H](Br)c2cc(Br)sc2C)c1I 300472316 OFXGNYOSUNXYFH-LBPRGKRZSA-N 486.010 6.216 50 10 JKGE Br[C@@H](c1sccc1I)c1ccc2c3c(cccc13)CC2 312897711 IXSBHXQHRKCPLP-MRXNPFEDSA-N 455.158 6.089 50 10 JKGE Cc1ccc(COc2c(Br)cc(CCl)cc2Br)cc1Br 313676898 IVNGXABVLJRPBS-UHFFFAOYSA-N 483.425 6.600 50 10 JKGE CC(C)(C)[Si](C)(C)OCCc1ccc([C@H]2COCCN2S(=O)(=O)c2ccccc2)cc1 616600813 IXWQTRSMUWWWMZ-HSZRJFAPSA-N 461.700 5.013 50 10 JKGE Fc1ccc2nc(CCl)n(C[C@@H]3CCCCN3Cc3ccccc3)c2c1Br 689711381 RZVAEUXXCSOYRO-INIZCTEOSA-N 450.783 5.731 50 10 JKGE Fc1ccc([C@H](Br)c2ccccc2OCc2ccccc2)c(F)c1Br 691513009 LGUGIKHWQIUFGB-GOSISDBHSA-N 468.135 6.791 50 10 JKGE C[C@@]12CN(Cc3ccccc3)C[C@H]1CN(c1ccc(CBr)cc1Br)C2 702090918 XDDJDHRKKRIOHX-RXVVDRJESA-N 464.245 5.302 50 10 JKGE Cc1cc(C(=O)[C@@H](C)Cl)c(C)n1CC1(N(Cc2ccccc2)Cc2ccccc2)COC1 705620911 YCZRPAXBVHQSKR-OAQYLSRUSA-N 451.010 5.386 50 10 JKGE Cl[C@H](c1ccc(Br)cc1)c1ccc(I)c(Br)c1 721585324 GXBPLPGHEIHYQN-CYBMUJFWSA-N 486.372 6.144 50 10 JKGE COc1ccc(NC(=O)/C(C#N)=C\c2cc(Cl)ccc2OCc2ccc(Cl)cc2)cc1 1083964263 USAXGLPTLFQNGM-PDGQHHTCSA-N 453.325 6.127 50 10 JKGE CCOc1cc(/C=C(\C#N)C(=O)N(C)C)cc(Br)c1OCc1ccc(Cl)cc1 1083977319 UCWCWEQUKSNFQT-CXUHLZMHSA-N 463.759 5.075 50 10 JKGE O=C(CCCSc1nnc(CCc2ccccc2)n1-c1ccccc1)NN=Cc1ccccc1 1084006346 ZDYPOMQDESYPEV-UHFFFAOYSA-N 469.614 5.075 50 10 JKGE O=C(NN=Cc1ccc(-c2ccc(Cl)c(C(=O)O)c2)o1)c1cc2cc(Br)ccc2o1 1084083284 NLWCSAQRGVROSW-UHFFFAOYSA-N 487.693 5.571 50 10 JKGE C=CCc1cc(C=NNC(=O)CC[C@H](O)c2ccccc2)ccc1OCc1ccc(Cl)cc1Cl 1084558704 FZWVBZZPUBFKCJ-VWLOTQADSA-N 497.422 6.265 50 10 JKGE Cc1cc(/C=C(\C#N)C(=O)Nc2cccc(Cl)c2Cl)c(C)n1-c1cccc(Cl)c1Cl 1084640456 YNRDMULHHIRORA-XNTDXEJSSA-N 479.194 7.253 50 10 JKGE Cc1ccc(C)c(Cn2nc(-c3ccccc3)c3c2OC(N)=C(C#N)[C@@H]3c2c(F)cccc2Cl)c1 1865682606 SLBOSTSINIPSDP-HSZRJFAPSA-N 484.962 6.226 50 10 JKGE COc1ccc(-c2nn(-c3ccc(Cl)cc3)c3c2[C@@H](c2ccccc2F)C(C#N)=C(N)O3)cc1 1865683539 MDYQHWWRIZTPGV-QFIPXVFZSA-N 472.907 5.559 50 10 JKGE CCCc1nn(-c2ccc(Br)cc2)c2c1[C@@H](c1cccc(Cl)c1)C(C#N)=C(N)O2 1865683554 MLPYSDOOFXBGTQ-IBGZPJMESA-N 469.770 5.459 50 10 JKGE CC(C)c1ccc([C@@H]2C(C#N)=C(N)Oc3c2c(-c2ccccc2)nn3-c2ccc(Cl)cc2)cc1 1865686686 ZKYJRWBFJWCGBE-XMMPIXPASA-N 466.972 6.534 50 10 JKGE CCCOc1cccc([C@@H]2C(C#N)=C(N)Oc3c2c(-c2ccccc2)nn3Cc2ccccc2Cl)c1 1865692966 GWEQHMWXEQMWLX-RUZDIDTESA-N 496.998 6.259 50 10 JKGE COc1ccc(-c2nn(Cc3cccc(Cl)c3)c3c2[C@@H](c2ccc(F)cc2)C(C#N)=C(N)O3)cc1 1865707835 HGQTYGRKPPNGQA-QHCPKHFHSA-N 486.934 5.618 50 10 JKGE COc1ccc([C@@H]2C(C#N)=C(N)Oc3c2c(-c2ccccc2)nn3Cc2ccccc2Cl)c(OC)c1 1865707925 JMOCMPRWYLJXAT-XMMPIXPASA-N 498.970 5.487 50 10 JKGE CCc1nn(Cc2ccc(Cl)c(Cl)c2)c2c1[C@@H](c1ccc(C(F)(F)F)cc1)C(C#N)=C(N)O2 1865711392 XKDAZHZKAZOQGQ-IBGZPJMESA-N 493.316 6.038 50 10 JKGE CCCC[C@H](NC(=O)Cc1nc(-c2ccc(Cl)cc2)oc1C)C(=O)Nc1ccc(SC#N)cc1 1866668588 AQLGQLYNPBMSJG-NRFANRHFSA-N 497.020 5.733 50 10 JKGE CCc1nc(Nc2ccc(SC#N)cc2)cc(N2CC[C@H](O)C[C@@H]2c2ccc(OC)c(OC)c2)n1 1868277583 BKJYWZJYWNCJNX-PZJWPPBQSA-N 491.617 5.075 50 10 JKGE N#C/C(=C(/O)c1ccccc1C(=O)c1ccccc1)c1nc(-c2ccc3c(c2)CCCC3)cs1 1872745283 GBBPXJILQJAWBB-FVDSYPCUSA-N 462.574 6.870 50 10 JKGE CCOC(=O)c1ccc(N2C[C@H](/C(O)=C(\C#N)c3nc(-c4ccc(F)c(F)c4)cs3)CC2=O)cc1 1872751465 JDJUCBLTUIOEME-PDNPPFGYSA-N 495.507 5.111 50 10 JKGE CCCCCCCOc1ccc(-c2csc(/C(C#N)=C(\O)Cc3ccc(Cl)cc3)n2)cc1 1872753451 XPKKFJKIALWNAE-BZZOAKBMSA-N 467.034 7.848 50 10 JKGE CCOc1ccc(/C=C/C(O)=C(\C#N)c2nc(-c3c(C)c(C)cc(C)c3C)cs2)cc1OC 1872754164 GEIJGBKUTSVIAC-WXXFPUKGSA-N 460.599 6.957 50 10 JKGE COc1cccc(/C=C(\C#N)c2nc(-c3ccc(Cl)cc3)cs2)c1OCc1cccc(C)c1 1872790295 YAQWGFYUKSEVHO-HYARGMPZSA-N 472.997 7.424 50 10 JKGE COc1ccc(OC)c(-c2csc(/C(C#N)=C/c3cccc(OC)c3OCc3cccc(C)c3)n2)c1 1872791511 JVDDGOBZRSYDJR-HYARGMPZSA-N 498.604 6.788 50 10 JKGE O=C(N[C@@H](CBr)[C@H]1CC=CCC1)c1cc(Br)sc1Br 1885069814 KLTKLAXSNGGPTC-WPRPVWTQSA-N 472.040 5.123 50 10 JKGE CCc1ccc(CBr)cc1S(=O)(=O)N(Cc1ccccc1)Cc1ccccc1 1885383652 YIRHLEBKJHSDLV-UHFFFAOYSA-N 458.421 5.535 50 10 JKGE C[C@@H]1C[C@H](Br)[C@H](Cc2ccc(I)c(Br)c2)C1 1904330813 YUXWEOITAYVPGS-LSJOCFKGSA-N 457.975 5.406 50 10 JKGE CC(C)(C)OC1CC([C@@H](Br)c2cc(Br)ccc2Br)C1 1913993474 CHXSXFOKDCXBFD-PFMWSLTASA-N 455.028 6.241 50 10 JKGE C[C@@H](c1cccs1)N(Cc1ccccc1)c1cc(Br)ccc1CBr 1914895424 RDSGXOFHHDCABX-HNNXBMFYSA-N 465.254 7.173 50 10 JKGE Cc1c(Br)sc([C@@H](Br)c2c(Cl)cccc2Cl)c1Br 1922898815 YFZAIHVUYUFXOP-JTQLQIEISA-N 493.873 7.373 50 10 JKGE COc1ccc(Cl)cc1[C@@H](Br)c1sc(Br)cc1Br 1922944957 BFYIIWBCGPYWSA-LLVKDONJSA-N 475.427 6.419 50 10 JKGE Cc1c(Br)sc([C@H](Cl)c2c(F)cccc2Br)c1Br 1922946527 RZYUKMNIWDLSIE-SNVBAGLBSA-N 477.418 6.811 50 10 JKGE Clc1c(Br)sc(Br)c1[C@@H](Br)C1CCCCCCC1 1923039906 RLGZAQBAPLVQLS-JTQLQIEISA-N 479.503 7.723 50 10 JKGE Fc1ccc(Br)c([C@@H](Cl)c2c(Br)sc(Br)c2Cl)c1 1923040546 VIQFOCKMCDFJAH-MRVPVSSYSA-N 497.836 7.156 50 10 JKGE COc1ccc(C)cc1[C@@H](Br)c1c(Br)sc(Br)c1Cl 1923068551 TVEWMZHMNFMMEB-SNVBAGLBSA-N 489.454 6.728 50 10 JKGE Cc1nsc(Br)c1[C@@H](Br)[C@H](C)c1ccncc1Br 1924065604 WFUIXTRJQIGWLB-KBUNVGBDSA-N 455.013 5.611 50 10 JKGE Fc1ccc([C@H](Cl)c2c(Br)sc(Br)c2Br)cc1Cl 1924590945 MJWDSVBQPVKLHJ-VIFPVBQESA-N 497.836 7.156 50 10 JKGE CCO[C@@H]1C[C@@H]1[C@H](Br)c1c(Br)sc(Br)c1Br 1924609361 WLDGERLELOWCOO-BFHQHQDPSA-N 497.872 5.897 50 10 JKGE CC(C)(C)OC(=O)NC[C@@H]1CCCC2(CCC2)[C@]12CCC[C@@H](CI)O2 1924802258 YOMNCMBYGBWTPR-FTRWYGJKSA-N 463.400 5.224 50 10 JKGE Cl[C@H](Cc1ccc(Br)cc1)c1csc(Br)c1Br 1945183295 BRXJARKLKYCAIP-SNVBAGLBSA-N 459.428 6.558 50 10 JKGE CN(c1c(CBr)ccc(Br)c1Cl)[C@H]1CC[C@@H]1OCc1ccccc1 1950438288 WPTPMSHBIOYGNG-IRXDYDNUSA-N 473.636 6.181 50 10 JKGE CC(C)(CCCC[C@@H]1CCSS1)[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)O 1952498185 MUIXUSRPYUCUCM-HOYKHHGWSA-N 499.698 6.719 50 10 JKGE COCCOCCN(Cc1ccccc1)c1cc(C)cc(Br)c1CBr 2053213420 QFNYIBZXKINVSY-UHFFFAOYSA-N 471.233 5.322 50 10 JKGE Cc1sc(Br)c([C@@H](Cl)c2cccc(Br)c2Br)c1C 2082870074 DOYOHZYWCYDKRI-LBPRGKRZSA-N 473.455 6.981 50 10 JKGE CCCN(c1ccc(Br)cc1CBr)C1CCN(Cc2ccccc2)CC1 2087294835 JGKNUESJFJKKLF-UHFFFAOYSA-N 480.288 6.225 50 10 JKGE Oc1nc2ccc([C@@H](Br)c3csc(Br)c3Br)cc2[nH]1 2093941782 CFCFQFCROCYDMH-SECBINFHSA-N 466.980 5.339 50 10 JKGE Brc1cc(Br)c([C@H](Br)[C@@H]2C[C@H]3CCCCCC[C@H]32)s1 2109834222 NVTPGBABSJCNHU-ZHSDAYTOSA-N 471.096 7.316 50 10 JKGE Clc1ccc(I)c(CN2CC[C@H](Br)CC23CCC3)c1 2113557746 CHSIQFDSINVZCL-LBPRGKRZSA-N 454.577 5.227 50 10 JKGE CCc1ccc([C@H](Br)c2c(C)c(Br)cc(C)c2Br)s1 2136379626 MLKVRFVFUMLHIO-HNNXBMFYSA-N 467.064 6.937 50 10 JKGE CCn1cc(Br)c([C@@H](Br)c2cc(Br)c(Cl)cc2C)n1 2137642909 MWPFASYNNQDMKI-LBPRGKRZSA-N 471.418 5.874 50 10 JKGE COc1c(Cl)cc(Br)cc1[C@@H](Br)c1cn(C)c(Br)n1 2138248220 YOUAEOAXYBRWNV-SNVBAGLBSA-N 473.390 5.091 50 10 JKGE COc1ccc([C@@H](Cl)c2ccc(Br)cc2I)c(C)c1 2142288950 WJYDDTZQZKVOTP-OAHLLOKOSA-N 451.529 5.699 50 10 JKGE C[C@H](Br)C12CCC(CC1)N2C(=O)c1ccc(Br)cc1Br 2153385999 KHOKNSAYZBJPBJ-IEBVAXJPSA-N 466.011 5.132 50 10 JKGE Clc1ccc(I)c(CN2CCC[C@@]3(CBr)CCC[C@H]23)c1 2165253102 WQQGFRZKMUPXOE-JKSUJKDBSA-N 468.604 5.474 50 10 JKGE Cc1c([C@@H](Cl)c2scc(C(F)(F)F)c2Br)nn(C)c1Br 2168216785 WUZGYMWWKJMZSR-SSDOTTSWSA-N 452.521 5.662 50 10 JKGE COCC(C)(C)N(Cc1ccccc1)S(=O)(=O)c1ccc(Cl)c(CBr)c1Cl 2179833474 BVXPLFPPZDPWDR-UHFFFAOYSA-N 495.266 5.504 50 10 JKGE Cc1cc(Br)c(C)c([C@@H](Br)c2ccc(F)c(Cl)c2)c1Br 2201068083 DCLPRSQVNCRSHD-HNNXBMFYSA-N 485.416 7.105 50 10 JKGE COc1cc(F)c([C@H](Br)c2ccc(F)c(Br)c2)cc1Br 2202903964 LAHYSYQHAZMNAS-CQSZACIVSA-N 470.933 5.983 50 10 JKGE Cc1cc([C@@H](Cl)c2cc(Cl)c(Cl)c(Cl)c2Cl)ccc1I 2207102267 JOHCQVJCYMDNQW-LLVKDONJSA-N 480.387 7.541 50 10 JKGE C[C@H](CBr)N(Cc1ccccc1)Cc1c(Br)sc2ccccc12 2210217269 RZWDPFNQSBUPON-CQSZACIVSA-N 453.243 6.449 50 10 JKGE CC[C@@H]1C[C@@H](Cl)C[C@H](c2sc(Br)c(Br)c2Br)C1 2216422718 WZXAAJAUXZCGTH-XLPZGREQSA-N 465.476 6.937 50 10 JKGE CCOCc1cc(Br)c([C@H](Br)c2cc(Br)sn2)s1 2217983076 ISBGTFJBJDJPCF-SNVBAGLBSA-N 476.053 5.750 50 10 JKGE FC1(F)CCC[C@H]1C[C@H](Br)c1c(Br)cc(Cl)c(Cl)c1Cl 2232521913 WARWPMDNBIDRQV-BQBZGAKWSA-N 471.394 7.671 50 10 JKGE COc1cc(F)cc([C@H](Br)c2cc(Br)c(Br)cc2F)c1 2234414462 NKCMNIIPHIHDBG-AWEZNQCLSA-N 470.933 5.983 50 10 JKGE Cc1cc(Br)c([C@@H](Br)[C@H]2COCCC2(F)F)c(C)c1Br 2235596896 ABAVBXGAUQDLRS-RNCFNFMXSA-N 476.981 5.936 50 10 JKGE Cc1c([C@@H](Br)c2c(F)cc(F)c(Br)c2F)nn(C)c1Br 2236113047 YOQOVKASKBCKRH-VIFPVBQESA-N 476.916 5.155 50 10 JKGE COc1ccc([C@H](Br)c2cscc2Br)c(Br)c1Cl 2256326509 BWIXYNCXOWCRJB-JTQLQIEISA-N 475.427 6.419 50 10 JKGE FC(F)[C@@H]1CCC[C@H]1[C@H](Cl)c1c(Br)sc(Br)c1Br 2257873929 YBBCXJWAOCQALE-LRMHIPNDSA-N 487.429 6.997 50 10 JKGE Fc1cc(Br)c(Br)cc1[C@H](Br)C[C@@H]1CCCC12CC2 2266633146 XOIDSZWBJCGUSJ-GXSJLCMTSA-N 455.003 6.757 50 10 JKGE CCc1cc(Br)c([C@@H](Br)c2cc(F)c(Br)cc2Cl)s1 2267750270 RYZMMEKOTCMWLF-LBPRGKRZSA-N 491.445 7.112 50 10 JKGE Fc1ccc([C@H](Br)Cc2cc(Br)cc(Br)c2)cc1F 2277887216 ZCFNBYCVMKMMOF-GFCCVEGCSA-N 454.934 6.169 50 10 JKGE Cc1nn(C)c([C@H](Cl)Cc2cc(Br)cc(Br)c2)c1Br 2277959496 UHOXLMLOQYPTDW-LLVKDONJSA-N 471.418 5.539 50 10 JKGE Cc1cc(Br)c([C@@H](Cl)c2cccc(Br)c2Br)c(C)c1F 2279149178 MOFGFBPWPGUVBI-AWEZNQCLSA-N 485.416 7.058 50 10 JKGE FC(F)C1(CBr)CCN(Cc2cc(Br)ccc2Br)CC1 2289885694 LTIAFQLCQBWGRM-UHFFFAOYSA-N 475.997 5.454 50 10 JKGE COc1cc(C=C(C#N)c2ccc([N+](=O)[O-])cc2)ccc1OCc1ccc(Cl)cc1Cl 2294732716 FSEZNTXCNZYBRC-UHFFFAOYSA-N 455.297 6.553 50 10 JKGE COc1c(C)cc(C)cc1[C@H](Cl)c1cc(Br)ccc1I 2295365821 TXPGDPGEMNHWMD-OAHLLOKOSA-N 465.556 6.007 50 10 JKGE Cc1cc(C)c(NC=C(C#N)c2nc(-c3cc4cc(Br)ccc4oc3=O)cs2)c(C)c1 2295902649 FHRMMOXPGGMJKF-UHFFFAOYSA-N 492.398 6.581 50 10 JKGE COc1cc(C=C(C#N)C(=O)NC2CCCCC2)ccc1OCC(=O)c1cc(C)c(C)cc1C 2297381763 PASZDQAYGVQLFM-UHFFFAOYSA-N 460.574 5.238 50 10 JKGE N#CC(=Cc1ccc(C(F)(F)F)cc1)C(=O)c1cc(-c2ccccc2)c(C(F)(F)F)s1 2297563174 XJDDNQRIADJNRW-UHFFFAOYSA-N 451.391 7.243 50 10 JKGE Brc1cc(OCc2ccccc2)ccc1[C@H](Br)C1(CC2CC2)CC1 2299498458 UACCBWOOOVXHQJ-FQEVSTJZSA-N 450.214 7.044 50 10 JKGE COC(=O)c1cccc(-n2c(C)cc(C=C(C#N)C(=O)Nc3cccc(Cl)c3Cl)c2C)c1 2313571470 XEAIMJUGVKQRPM-UHFFFAOYSA-N 468.340 5.733 50 10 JKGE CCOc1cc(C=C(C#N)C(=O)Nc2ccccc2F)ccc1OCc1ccc(Cl)cc1Cl 2313630847 GGARDMSVOHCPNF-UHFFFAOYSA-N 485.342 6.656 50 10 JKGE N#CC(=Cc1cc(Cl)ccc1OCc1cccc(Cl)c1)C(=O)Nc1cccc([N+](=O)[O-])c1 2313676663 PYUWCJRZVQOHEX-UHFFFAOYSA-N 468.296 6.026 50 10 JKGE C[C@H](NC(=O)C(C#N)=Cc1cn(-c2ccccc2)nc1-c1ccc2c(c1)OCCO2)c1ccccc1 2314522551 ODUMTMVJJBMPIK-FQEVSTJZSA-N 476.536 5.095 50 10 JKGE CCc1ccc(N2C(=O)[C@@H](Cc3ccccc3)SC2=C(C#N)C(=O)Nc2ccccc2C)cc1 2314591907 HKGINZKTGAMBAF-RUZDIDTESA-N 467.594 5.622 50 10 JKGE COc1ccc(N2C(=O)[C@@H](Cc3ccccc3F)SC2=C(C#N)C(=O)Nc2ccc(C)cc2)cc1 2314592191 NOSUXARLQPELHD-XMMPIXPASA-N 487.556 5.208 50 10 JKGE Cc1ccccc1NC(=O)C(C#N)=C1S[C@H](Cc2ccccc2F)C(=O)N1c1ccc(C(C)C)cc1 2314592214 OCCRNSSGUWSHFP-AREMUKBSSA-N 499.611 6.323 50 10 JKGE CCCCCCCCOc1ccc(C=C2C(=O)N([C@@H](C)CC)C(=O)C(C#N)=C2C)cc1OC 2314610339 GINMTCLIUQVUJZ-IBGZPJMESA-N 452.595 5.825 50 10 JKGE C=CCN1C(=O)C(=Cc2ccc(OCc3ccc(Cl)cc3Cl)c(OC)c2)C(C)=C(C#N)C1=O 2314617497 ZHOGESSDEKUWSV-UHFFFAOYSA-N 483.351 5.359 50 10 JKGE COc1ccccc1C(C#N)=Cc1cccc(OC(=O)C=Cc2ccc(Cl)cc2Cl)c1 2320511385 RYDNCXQSCNRWPX-UHFFFAOYSA-N 450.321 6.685 50 10 JKGE COc1ccc(C=C(C(=O)NNC(=O)c2ccc(-c3ccc(C)cc3)nc2C)c2ccccc2)cc1 2321124294 BSMVQCBTYXYMBI-UHFFFAOYSA-N 477.564 5.376 50 10 JKGE CCOc1cc(C=NNC(=O)c2ccc(O)cc2)ccc1OCc1c(Cl)cccc1Cl 2323087211 SJJREQLXXMQZPJ-UHFFFAOYSA-N 459.329 5.441 50 10 JKGE N#CC(=CNCCc1ccc(Br)cc1)C(=O)Nc1ccc(Oc2ccccc2)cc1 2325141626 PIUAKNUTWBTIBO-UHFFFAOYSA-N 462.347 5.420 50 10 JKGE BrC[C@@]1(Cc2ccc(I)c(Br)c2)C[C@H]2CC[C@H]1C2 2325230478 SZOWVAGOVCDBLQ-WBIUFABUSA-N 484.013 5.798 50 10 JKGE CCCCCCCCCOc1ccc(C=NNC(=O)[C@H](C)NC(=O)OC(C)(C)C)cc1OCC 2328818655 CXLNLVNCGDUHLV-FQEVSTJZSA-N 477.646 5.578 50 10 JKGE N#CC(=C(O)c1ccc(N2CCCC2)c([N+](=O)[O-])c1)c1nc(-c2ccc3c(c2)CCCC3)cs1 2331240244 MRHSBKURSRUTJJ-UHFFFAOYSA-N 472.570 6.147 50 10 JKGE Cc1cc(-c2csc(C(C#N)=C(O)CN3C(=O)COc4ccc(Cl)cc43)n2)ccc1F 2331322553 LHJHDYVZUIIYIV-UHFFFAOYSA-N 455.898 5.129 50 10 JKGE COc1ccc(OC)c(-c2csc(C(C#N)=C(O)[C@H](C)Oc3ccc(C(C)C)cc3)n2)c1 2331326004 OJIKPUWLNXHZGN-INIZCTEOSA-N 450.560 6.211 50 10 JKGE CCc1cccc(C)c1N1C[C@@H](C(O)=C(C#N)c2nc(-c3ccc(F)c(F)c3)cs2)CC1=O 2331351859 HNFFKLKUMJHIOY-KRWDZBQOSA-N 465.525 5.805 50 10 JKGE COc1ccc(-c2csc(C(C#N)=Cc3ccccc3OCc3ccc(Cl)cc3)n2)cc1 2331431530 SCNJGTIAICTBFT-UHFFFAOYSA-N 458.970 7.115 50 10 JKGE CCc1nn(C)c([C@@H](Cl)c2cc(Br)ccc2OCc2ccccc2)c1Cl 2336044194 LURUPLVNOVTNFV-SFHVURJKSA-N 454.195 6.306 50 10 JKGE CC1(C)C[C@@H]([C@@H](Br)c2cc(Br)ccc2OCc2ccccc2)C(C)(C)O1 2336050531 LGBXYGBKVSGDIA-ICSRJNTNSA-N 482.256 7.058 50 10 JKGE COc1ccc(Br)cc1[C@H](Cl)c1cc(Br)ccc1OCc1ccccc1 2336052329 ZXJWKODBCDANAC-NRFANRHFSA-N 496.626 7.127 50 10 JKGE Fc1c(Br)cc(Cl)c([C@H](Br)[C@H]2CC[C@@H]3C[C@@H]3C2)c1Br 2337105132 UQKWYWGIPDLMST-BSFVXNEUSA-N 475.421 6.876 50 10 JKGE Cc1c(F)ccc(CO[C@@]2(CI)CCCN(C(=O)OC(C)(C)C)C2)c1Cl 2339296053 SBZSYXGLKLTBOZ-LJQANCHMSA-N 497.776 5.509 50 10 JKGE Brc1cccc(Br)c1CO[C@@H](CI)c1ccccc1 2340566820 XBYPAVGQZSMTGB-HNNXBMFYSA-N 495.980 5.905 50 10 JKGE CN(Cc1ccc(Cl)cc1I)[C@@H](CCBr)C(F)(F)F 2341012314 PHISFADSBKEVHH-NSHDSACASA-N 470.498 5.092 50 10 JKGE Clc1ccc(CN2CCC[C@H](CCBr)CC2)c(I)c1 2341060091 RJRXFRWXKAIWPP-GFCCVEGCSA-N 456.593 5.332 50 10 JKGE BrC[C@@H]1CC12CCN(Cc1ccc(I)c(Br)c1)CC2 2349837566 WGRQLBHVMKPNOA-LBPRGKRZSA-N 499.028 5.051 50 10 JKGE C[C@H]1CCCN(Cc2cc(I)ccc2Cl)[C@@H]1CCBr 2352418054 QNPUBIUKVGVBEH-XHDPSFHLSA-N 456.593 5.330 50 10 JKGE Cc1sc([C@H](Cl)c2c(Cl)cc(Br)c(F)c2Br)c(C)c1C 2362222290 DGPJAYGKZMFWOO-GFCCVEGCSA-N 461.021 7.319 50 10 JKGE Fc1c(Br)cc(Cl)c([C@H](Br)C2CC[C@H]3C[C@@H]3CC2)c1Br 2362226282 UMHIIZCOKXZDNQ-MWODSPESSA-N 489.448 7.266 50 10 JKGE BrC[C@]1(Cc2ccc(Br)cc2Br)C[C@H]2C=C[C@H]1CCC2 2364073362 XVCZHQZHVLVFPJ-SUYBPPKGSA-N 463.051 6.512 50 10 JKGE Cc1cc(Br)c(F)c(Br)c1[C@@H](Br)C[C@@H](C)CC(C)(C)C 2365181004 UPHVQGDFHZIJLP-KOLCDFICSA-N 473.062 7.558 50 10 JKGE COc1c(Br)cc(C)c([C@H](Br)c2sc(C)cc2C)c1Br 2365217280 CKSYIULBOWTVDG-ZDUSSCGKSA-N 483.063 6.691 50 10 JKGE Cc1cc(Br)c(F)c(Br)c1[C@@H](Cl)c1cc(Cl)ccc1Cl 2365223341 MGTXCPBCZKPKGC-ZDUSSCGKSA-N 461.383 7.294 50 10 JKGE Cc1cc(Br)c(F)c(Br)c1[C@H](Cl)c1ccc(Cl)cc1Cl 2365224219 VYABGTNEMCAQOE-CYBMUJFWSA-N 461.383 7.294 50 10 JKGE COc1cccc(OCc2ccc(Cl)cc2I)c1CBr 2365647611 LJBOAWOEMRYVQF-UHFFFAOYSA-N 467.528 5.427 50 10 JKGE COC(C)(C)C1([C@H](Br)c2c(Cl)cc(Br)c(F)c2Br)CC1 2369706322 ZAYCVTNZSHRJQM-GFCCVEGCSA-N 493.436 6.645 50 10 JKGE C[C@@H](Oc1ccc(-c2ccccc2)cc1)C(=O)NNC(=O)COc1ccc(-c2ccccc2)cc1 14038754 QPLKMHCTEXBJDU-OAQYLSRUSA-N 466.537 5.014 50 10 JKGE COc1cc(/C=N/NC(=O)C=C(Sc2ccccc2)Sc2ccccc2)cc(OC)c1OC 20827329 CIKHTHBYUCTVSZ-YZSQISJMSA-N 480.611 5.589 50 10 JKGE Cc1cccn2c(=O)c(/C=C(/C#N)C(=O)NC3CCCCC3)c(Oc3ccc(C(C)(C)C)cc3)nc12 34367069 XPLNEZIPOUXUNQ-JZJYNLBNSA-N 484.600 5.449 50 10 JKGE CCCOc1ccc(-c2nn(-c3ccccc3)cc2/C=C2/C(=O)N(C)C(=O)C(C#N)=C2C)cc1Cl 38602927 BCTLJYPXTWGCBU-FYJGNVAPSA-N 486.959 5.204 50 10 JKGE C[C@@H](Oc1ccc(F)cc1)C(=O)Oc1ccc2c(c1)OC(N)=C(C#N)[C@@H]2c1cccc2ccccc12 38657832 QXIDLZGACHSWCX-XGCWNURASA-N 480.495 5.570 50 10 JKGE C[C@H](Oc1ccccc1F)C(=O)Oc1ccc2c(c1)OC(N)=C(C#N)[C@H]2c1c(F)cccc1Cl 38680427 BFNUHGNNUKOOTC-XMHCIUCPSA-N 482.870 5.209 50 10 JKGE CCCCCOc1cccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4ccccc4Cl)ccc32)c1 38684768 JVCATXJGUWHPGB-AREMUKBSSA-N 488.971 6.346 50 10 JKGE CCCCCOc1ccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)Cc4ccccc4)ccc32)cc1 38685562 VCLYRYGWQALJMQ-NDEPHWFRSA-N 468.553 5.622 50 10 JKGE COc1cccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4oc5ccc(F)cc5c4C)ccc32)c1 38687335 WDAVRJMCEZBVAM-XMMPIXPASA-N 470.456 5.326 50 10 JKGE Cc1ccc2oc(C(=O)Oc3ccc4c(c3)OC(N)=C(C#N)[C@@H]4c3c(F)cccc3Cl)c(C)c2c1 38700612 HFPZFWZKKSRLBS-HSZRJFAPSA-N 488.902 6.280 50 10 JKGE N#C/C(=C\c1c2ccccc2cc2ccccc12)c1nc(-c2ccc(Br)cc2)cs1 39794888 SNSJHCUXKDHIQQ-XSFVSMFZSA-N 467.391 7.943 50 10 JKGE Cc1c(Cl)cccc1NC(=O)c1oc2c(c1C)/C(=N/NC(=O)COc1ccccc1)CCC2 40816036 VNPPHTMXQFCOAE-VFCFBJKWSA-N 465.937 5.038 50 10 JKGE COc1cc(/C=N/NC(=O)COc2ccc(C)cc2C(C)(C)C)ccc1OCc1ccccc1Cl 40846850 ZOVGLOAFOPOZRU-OKCVXOCRSA-N 495.019 6.063 50 10 JKGE Cc1cc(-n2c(C)cc(/C=N\NC(=O)CC[C@H](O)c3ccccc3)c2C)ccc1Br 58890768 FGIZJDQDPJROQE-VNAAUWNKSA-N 468.395 5.129 50 10 JKGE C[C@H](Cl)c1nc2cc(I)ccc2n1Cc1cccc(Br)c1 97354262 DRARLTNBFNCIFX-JTQLQIEISA-N 475.555 5.752 50 10 JKGE CC[C@]1(C)[C@@H](Br)C[C@@H]1Oc1c(I)cc(Cl)c2cccnc12 97646934 YWCMURWPHGBESL-HEHGZKQESA-N 480.571 5.824 50 10 JKGE COc1cc(/C=C(/C#N)C(=O)Nc2nc3ccccc3s2)cc(Cl)c1OCc1ccc(F)cc1 102443863 YQCVEXSBFSRYSO-YVLHZVERSA-N 493.947 6.222 50 10 JKGE CCc1cccc(C)c1N/C(SCc1ccc(Cl)cc1)=C(\C#N)S(=O)(=O)c1ccccc1 104689367 NOVWUBLVOCHAAB-BZZOAKBMSA-N 483.058 6.723 50 10 JKGE Cc1ccc([C@@H](Br)c2cc(Br)ccc2Br)cc1Cl 109844466 PZTMSPFYVLHCFG-CQSZACIVSA-N 453.399 6.658 50 10 JKGE Cc1cc(Br)c([C@H](Cl)Cc2cccc(Br)c2)cc1Br 128622290 DPSATPYAHUAKAV-OAHLLOKOSA-N 467.426 6.805 50 10 JKGE c1ccc(P(C[C@H]2CCCN2P(c2ccccc2)c2ccccc2)c2ccccc2)cc1 142187382 QOXHILHNCWCKHN-RUZDIDTESA-N 453.506 5.632 50 10 JKGE Clc1cccc(Cl)c1[C@@H](Br)c1csc2c(Br)cccc12 163521884 WOSDKECKJUVEHY-AWEZNQCLSA-N 451.010 7.455 50 10 JKGE CCCCNC(=O)/C(C#N)=C\c1ccc(OC(=O)COc2ccc(-c3ccccc3)cc2)c(OC)c1 207140118 BPXXBHTVRGJBRR-ULJHMMPZSA-N 484.552 5.170 50 10 JKGE Cc1cc([C@@H](Br)c2ccc(I)c(Cl)c2)cc(C)c1F 232344330 IGKJVURCGKWPGS-AWEZNQCLSA-N 453.520 6.185 50 10 JKGE CC(C)Oc1ccc([C@@H](Br)c2cc(Br)cc(Br)c2)cc1 232669793 WCEQQLZMWVVSHW-MRXNPFEDSA-N 463.007 6.483 50 10 JKGE Cc1cccc([C@@H](Br)c2cc(Br)c(Cl)s2)c1Br 235927717 SZIULHXEAGZONZ-LLVKDONJSA-N 459.428 6.719 50 10 JKGE Cl[C@H](c1ccc(Br)cc1Br)c1cc(Br)cc2c1OCC2 236040063 ZHWYOZDCUNOARO-CQSZACIVSA-N 481.409 6.237 50 10 JKGE Clc1ccc(Br)c([C@H](Br)c2cc(Br)cc3c2OCC3)c1 236056634 VXOFYOJWMSJRFR-AWEZNQCLSA-N 481.409 6.284 50 10 JKGE COc1cc(C(C)=NNC(=O)c2sc3cc(Br)ccc3c2Cl)ccc1O 252624617 PRTDDVSASUMTMF-UHFFFAOYSA-N 453.745 5.185 50 10 JKGE CC(C)(C)c1cc(C=NNC(=O)c2cc(-c3ccc(-c4ccccc4)cc3)n[nH]2)cc(C(C)(C)C)c1O 254305476 JREMVXUAQZADLP-UHFFFAOYSA-N 494.639 6.808 50 10 JKGE CCCCCCCCOc1ccc(-c2cc(C(=O)NN=C/C(C)=C/c3ccccc3)[nH]n2)cc1 254447430 CHWBSPHNCKCEKD-MNWFERSSSA-N 458.606 6.635 50 10 JKGE CCCOc1ccc(C(=O)NN=Cc2c(OC(=O)c3ccccc3)ccc3ccccc23)cc1 254516611 XZWDEJXESDVMRK-UHFFFAOYSA-N 452.510 5.612 50 10 JKGE Cc1ccc(-n2c(C)cc(C=NNC(=O)C(O)(c3ccccc3)c3ccccc3)c2C)c(C)c1 254524675 TXZRHLISJCCKHF-UHFFFAOYSA-N 451.570 5.097 50 10 JKGE Cc1ccc(C(=O)NN=Cc2cn(-c3ccccc3)nc2-c2ccc(OCc3ccccc3)cc2)cc1 254867580 BWHRKFSCOJCVOR-UHFFFAOYSA-N 486.575 6.191 50 10 JKGE Fc1cc(Br)ccc1[C@@H](Br)c1cc2c(cc1Br)OCC2 308421217 XBCOQVWPNBCWLM-OAHLLOKOSA-N 464.954 5.770 50 10 JKGE Br[C@H]1C[C@H]2[C@@H]3C[C@H](Br)[C@H](Br)C[C@@H]2[C@H]3C[C@H]1Br 309551725 LSPRBBUUWUVAOF-BRXCUIRUSA-N 479.876 5.106 50 10 JKGE Fc1cc2c(cc1I)nc(CCl)n2C[C@@H]1CCN(Cc2ccccc2)C1 311563008 YMMRQVDTEBRUPW-OAHLLOKOSA-N 483.756 5.041 50 10 JKGE ClCc1nc2cc(I)ccc2n1Cc1cccc(OCc2ccccc2)c1 313559832 UAHCNIYATVEAHX-UHFFFAOYSA-N 488.756 6.007 50 10 JKGE COc1ccc(Br)cc1[C@H](Br)c1cc(Cl)c(C)cc1Br 380350581 FIXNRBFPBOSQJZ-OAHLLOKOSA-N 483.425 6.666 50 10 JKGE Cc1csc(COc2c(Br)cc(Br)cc2CBr)n1 381138258 BZVDDBIPHTWBFH-UHFFFAOYSA-N 455.997 5.450 50 10 JKGE COCc1cc(Br)c([C@@H](Br)c2ccc(Br)cc2Cl)s1 688147751 SIPWSBUFJYQIQQ-LBPRGKRZSA-N 489.454 6.557 50 10 JKGE CN(C(=O)c1cc(Br)sc1Br)[C@@H](CBr)C(C)(C)C 689204742 CPIVFJSYERYFMJ-QMMMGPOBSA-N 462.045 5.155 50 10 JKGE C[C@@H]1CCCN(C(=O)c2cc(Br)ccc2Br)[C@@H]1CCBr 697202035 XELZLHZEQPJXQS-QMTHXVAHSA-N 468.027 5.237 50 10 JKGE COc1ccc(COc2cccc(Br)c2CBr)cc1Br 706855850 XFFYGHHOPJLNSK-UHFFFAOYSA-N 464.979 5.694 50 10 JKGE O=[N+]([O-])c1sc(CBr)cc1N1CC[C@H]2[C@@H](CCCN2Cc2ccccc2)C1 715015772 UJBXVULHXJDCLJ-WMZOPIPTSA-N 450.402 5.042 50 10 JKGE C[C@@H]1Cc2cc(Br)cc([C@H](Br)c3ccsc3Br)c2O1 720046255 VXZTYKPGNGBCSY-JMCQJSRRSA-N 467.020 6.081 50 10 JKGE Fc1cc2nc(CCl)n(CC[C@@H]3CCN(Cc4ccccc4)C3)c2cc1Br 723938434 KTRICIWHCQUZSB-INIZCTEOSA-N 450.783 5.589 50 10 JKGE Cc1sc([C@@H](Br)c2cc(Br)ccc2Cl)c(C)c1Br 724910858 WFSHUELPHZMOJA-LBPRGKRZSA-N 473.455 7.028 50 10 JKGE O=C(NN=Cc1ccc(-c2ccc(Cl)c(Cl)c2)o1)C(=O)Nc1cccc(Br)c1 725384032 BNHLLLDKOQMFGL-UHFFFAOYSA-N 481.133 5.105 50 10 JKGE CCOc1ccc([C@@H](O)CCC(=O)NN=Cc2c(C)n(Cc3ccccc3F)c3ccccc23)cc1 725387037 XNRBROGILWBUMP-NDEPHWFRSA-N 487.575 5.500 50 10 JKGE COc1cc(C=NNC(=O)c2cc3cc(Br)ccc3o2)ccc1OCc1ccc(F)cc1 1084012833 JWAZOCKVRQIHKE-UHFFFAOYSA-N 497.320 5.686 50 10 JKGE CCn1c(SCCCC(=O)NN=Cc2ccccc2OCc2ccccc2)nc2ccccc21 1084092165 UOLMOHUOWNUNGJ-UHFFFAOYSA-N 472.614 5.658 50 10 JKGE Cc1ccc(NC(=O)/C(C#N)=C/c2cc(Cl)c(OCc3ccccc3)c(Br)c2)cc1 1084128814 NYUQYWGKKHRHMA-YBFXNURJSA-N 481.777 6.536 50 10 JKGE CC(C)Oc1ccc(Br)cc1/C=C(/C#N)C(=O)Nc1cccc(C(F)(F)F)c1 1084506818 AWCAPKHXTYFXCH-ZSOIEALJSA-N 453.258 5.801 50 10 JKGE CC(C)(C)c1ccc(C(=O)Nc2ccc(C(=O)NN=Cc3c(O)ccc4ccccc34)cc2)cc1 1084544262 FWBVQLPMDHQGTC-UHFFFAOYSA-N 465.553 5.859 50 10 JKGE O=C(NN=Cc1ccc(OCc2ccc([N+](=O)[O-])cc2)cc1)c1cc2cc(Br)ccc2o1 1084578865 NGADLZOFFXTUED-UHFFFAOYSA-N 494.301 5.446 50 10 JKGE CC(C)(C)OC(=O)N1C[C@H](c2ccc(C(F)(F)F)cc2)[C@@H](CI)C1 1614808298 ZITAIHAKEKOJEE-GXTWGEPZSA-N 455.258 5.091 50 10 JKGE Cc1ccc2c(c1)C(=NNC(=O)CCCOc1ccc(Cl)cc1Cl)C(=O)N2CCC(C)C 1772720842 VMKBXQJFKRUUFV-UHFFFAOYSA-N 476.404 5.374 50 10 JKGE CCOc1cc([C@@H]2C(C#N)=C(N)Oc3c2c(-c2ccccc2)nn3Cc2cccc(F)c2)ccc1O 1865681031 CVRONISZCHKTHP-XMMPIXPASA-N 482.515 5.060 50 10 JKGE COc1cccc([C@H]2C(C#N)=C(N)Oc3c2c(-c2ccccc2)nn3-c2cccc(Cl)c2)c1O 1865683860 JQGHMZIZWQVNMH-NRFANRHFSA-N 470.916 5.125 50 10 JKGE N#CC1=C(N)Oc2c(c(-c3ccccc3)nn2Cc2cccc(Cl)c2)[C@@H]1c1ccccc1Cl 1865685325 HZFZUTNDEZLNQD-JOCHJYFZSA-N 473.363 6.123 50 10 JKGE N#CC1=C(N)Oc2c(c(C(F)(F)F)nn2Cc2ccccc2)[C@@H]1c1c(Cl)cccc1Cl 1865685362 HLXZVUYHFLPXGJ-HNNXBMFYSA-N 465.262 5.475 50 10 JKGE CCCOc1ccc([C@H]2C(C#N)=C(N)Oc3c2c(-c2ccc(OC)cc2)nn3-c2ccc(C)cc2)cc1 1865694711 ZSRYKCCLAUUFCP-SANMLTNESA-N 492.579 5.863 50 10 JKGE CCCC[C@H](NC(=O)[C@@H](c1ccc(OC)c(OC)c1)C(C)C)C(=O)Nc1ccc(SC#N)cc1 1866998194 VDSDRYIHYBGZMW-XUZZJYLKSA-N 483.634 5.330 50 10 JKGE COc1ccc2c(c1)C[C@H](C)CN2c1cc(Nc2ccc(SC#N)cc2)nc(-c2ccc(F)cc2)n1 1868457074 YUPRALXRWAKGOG-SFHVURJKSA-N 497.599 6.938 50 10 JKGE CCCCc1ccc(N2C[C@H](/C(O)=C(\C#N)c3nc(-c4ccc(OCC)cc4)cs3)CC2=O)cc1 1872747532 HTRQRZXJGCLXAQ-LQUAGZSJSA-N 487.625 6.397 50 10 JKGE CCCOc1ccc(-c2csc(/C(C#N)=C(\O)[C@@H]3CC(=O)N(c4c(C)cccc4CC)C3)n2)cc1 1872749461 SEPVYFJVFRSDHW-LULRDMADSA-N 487.625 6.316 50 10 JKGE CC[C@@H](C)N1C(=O)c2ccc(/C(O)=C(\C#N)c3nc(-c4ccc(F)c(C)c4)cs3)cc2C1=O 1872750087 VZLQCMWPJILOFE-CINSFREOSA-N 461.518 5.602 50 10 JKGE CC[C@@H](C)[C@H](/C(O)=C(\C#N)c1nc(-c2ccc(F)c(F)c2)cs1)N1C(=O)c2ccccc2C1=O 1872751673 SDSDXENRFPMQCB-FONVWEJASA-N 479.508 5.592 50 10 JKGE CC(C)c1ccc(-c2csc(/C(C#N)=C(\O)[C@H]3CC(=O)N([C@H](C)c4ccccc4)C3)n2)cc1 1872752244 STXQPLPMALNOBT-SYHNYHKPSA-N 457.599 6.336 50 10 JKGE CCOc1ccc(OCC)c(-c2csc(/C(C#N)=C(\O)c3ccccc3Br)n2)c1 1872755001 UHWDRSRHNJTXCP-FXBPSFAMSA-N 471.376 6.320 50 10 JKGE CCCCCCOc1ccc(/C=C(\C#N)c2nc(-c3ccc(Br)cc3)cs2)cc1OC 1872780572 DACLSXUVALUNQC-XSFVSMFZSA-N 497.458 7.604 50 10 JKGE COc1ccc(-c2csc(/C(C#N)=C/c3ccccc3OCc3ccccc3Cl)n2)cc1 1872784075 BBVQWPRNNHCBBR-KGENOOAVSA-N 458.970 7.115 50 10 JKGE CCc1ccc(OCCC/C(O)=C(\C#N)c2nc(-c3cc(OC)ccc3OC)cs2)cc1 1873921049 RGXKOIVUJOLLEL-LNVKXUELSA-N 450.560 6.042 50 10 JKGE CC[C@@H]1C[C@H]1C[C@@H](Br)c1c(Br)sc(Br)c1Br 1902804844 XPKXOSUXRXFOFQ-DSYKOEDSSA-N 495.900 6.908 50 10 JKGE Cc1cc(Br)c([C@H](Br)[C@@]23CC[C@@H](C2)[C@@H](C)O3)cc1Br 1908098218 XEIGCPLABGHVHV-KTJYFRGRSA-N 453.012 5.914 50 10 JKGE Cc1cc(Br)c([C@@H](Br)c2cc(I)sn2)s1 1909888970 JXCUFNRGZQWTCO-QMMMGPOBSA-N 479.000 5.364 50 10 JKGE COc1ccc(Br)c(C(=O)N(Cc2ccccc2)C2(CBr)CCC2)c1 1915741823 PIVAFRCQRRDBAU-UHFFFAOYSA-N 467.201 5.418 50 10 JKGE CC(C)(CBr)N(Cc1ccccc1)C(=O)Cc1ccc(Br)cc1F 1915767469 UTOJBWRLFDARIF-UHFFFAOYSA-N 457.181 5.333 50 10 JKGE Cc1c(Br)sc([C@@H](Br)[C@H]2C(F)(F)C23CCC3)c1Br 1922932062 IMBVUUCOSFYCNP-VXNVDRBHSA-N 464.995 6.453 50 10 JKGE Brc1cc(Br)c([C@@H](Br)c2cc3c(s2)CCSC3)s1 1922945065 CDYJQFSGANZERC-NSHDSACASA-N 489.117 6.608 50 10 JKGE C[C@@H](c1ccncc1Br)[C@H](Br)c1cc(Br)ccc1Cl 1924042324 ZQTCGEVYXRPCAX-RTHLEPHNSA-N 468.414 6.500 50 10 JKGE Cc1cc(Cl)cc([C@H](Cl)c2c(Br)sc(Br)c2Br)c1 1924590197 HZMCDPWVZRULTL-JTQLQIEISA-N 493.873 7.326 50 10 JKGE O=C(Nc1ccc(F)c(CBr)c1)c1csc(Br)c1Br 1924855739 OORDDMIFSPAFSE-UHFFFAOYSA-N 471.971 5.559 50 10 JKGE Fc1ccc([C@H](Cl)c2c(Cl)sc(Br)c2Cl)c(Br)c1 1925586788 CXQCCEHJHWJRHS-QMMMGPOBSA-N 453.385 7.047 50 10 JKGE Clc1cc(Br)c([C@@H](Br)c2cscc2Br)s1 1933596069 BKBJTPVJELCTBA-QMMMGPOBSA-N 451.430 6.472 50 10 JKGE Cl[C@H](c1cc(Br)cs1)c1cc(Br)c(Br)s1 1961676997 HEPZKEMROMSZTN-MRVPVSSYSA-N 451.430 6.425 50 10 JKGE CC1(C)CC[C@@H]1[C@H](Br)c1c(Br)sc(Br)c1Br 1987987003 DUMMYDQZBWIAJE-VDTYLAMSSA-N 495.900 6.908 50 10 JKGE Clc1sc([C@H](Br)c2c(Cl)sc(Cl)c2Cl)cc1Br 2004902846 QXCLCVYWRKTROB-YFKPBYRVSA-N 475.869 7.670 50 10 JKGE Cc1cc(Br)c(CBr)c(OCCOCCOCc2ccccc2)c1 2007821987 QZSPNCGVIKOVNJ-UHFFFAOYSA-N 458.190 5.265 50 10 JKGE Clc1ccccc1C[C@H](Br)c1cccc(Br)c1Br 2031482747 WIWUQJAKTTXPPT-LBPRGKRZSA-N 453.399 6.544 50 10 JKGE Clc1cnccc1C[C@H](Br)c1c(Br)cccc1Br 2033090566 HDBRWSZPFBAOGD-NSHDSACASA-N 454.387 5.939 50 10 JKGE CC[C@@H]1CN(c2cc(C)cc(Br)c2CBr)CCN1Cc1ccccc1 2053213976 SGGBHNIVCVKRME-GOSISDBHSA-N 466.261 5.753 50 10 JKGE Cl[C@H](c1c(Br)sc(Br)c1Br)[C@H]1C[C@@H]2CC[C@H](C1)O2 2061005344 LOHKSIXKDNFZEA-DOACCVQLSA-N 479.459 6.273 50 10 JKGE CC(C)(C)OC(=O)N1CCC[C@](CI)(OC[C@H]2C[C@H]2C2CCCC2)C1 2079995268 KPLRGFSARBWNBF-FUHIMQAGSA-N 463.400 5.034 50 10 JKGE Cc1cc(Cl)c(Br)cc1[C@H](Br)c1scc(C)c1Br 2082387848 QXYUTEJUYYGWEB-LBPRGKRZSA-N 473.455 7.028 50 10 JKGE Fc1ccc(C[C@H](Br)c2c(Br)cccc2Br)cc1F 2094098812 IOLNXUZQGJGOJI-NSHDSACASA-N 454.934 6.169 50 10 JKGE Fc1cc(Cl)c(Br)cc1[C@H](Br)Cc1ccccc1Br 2097839231 SSYVQSAJFVEVBH-LLVKDONJSA-N 471.389 6.683 50 10 JKGE Clc1c(Br)sc(Br)c1[C@H](Br)[C@@H]1CCn2nccc2C1 2108964239 BSZFBLNIBPLERJ-HZGVNTEJSA-N 489.458 5.822 50 10 JKGE Cc1c(Br)sc([C@H](Br)[C@@H]2CCn3nccc3C2)c1Br 2108965479 LHVLJAUXBVHACK-LDYMZIIASA-N 469.040 5.477 50 10 JKGE Cc1cc([C@@H](Br)c2nn(C)c(Cl)c2Br)c(C)cc1Br 2110726603 FMRDXAILUNRLHU-SNVBAGLBSA-N 471.418 5.700 50 10 JKGE Cc1cc(Br)c([C@@H](Cl)c2nn(C)c(Cl)c2Br)cc1Br 2110726976 GZKPJISUNQUKBK-SNVBAGLBSA-N 491.836 5.998 50 10 JKGE Fc1c(Cl)cccc1C[C@@H](Cl)c1ccc(I)c(Br)c1 2113466764 WGFADYRVFAISMN-GFCCVEGCSA-N 473.938 6.369 50 10 JKGE CCCc1nc(C[C@H](Br)c2cccc(Br)c2)c(Br)[nH]1 2113488482 DOQIVJVNSVDWEM-NSHDSACASA-N 451.000 5.566 50 10 JKGE CC1(C)CCCC[C@]1(CBr)Cc1cccc(Br)c1Br 2117016210 XZDGKMZIXWSNOJ-MRXNPFEDSA-N 453.056 6.736 50 10 JKGE O=S(=O)(c1cc(CBr)c(Cl)cc1Cl)N(Cc1ccccc1)C1CCCC1 2123251887 KNKFGGUZHMITAJ-UHFFFAOYSA-N 477.251 6.022 50 10 JKGE C[C@@](CI)(OC1CCC(F)(F)CC1)c1ccccc1Br 2143497335 FPWJFJCWPVQLIA-AWEZNQCLSA-N 459.112 5.694 50 10 JKGE FC(F)(F)c1ccc([C@H](Br)c2cc(Cl)c(Br)s2)cc1Cl 2146761586 BKQKFMLJGNUVOK-JTQLQIEISA-N 468.947 7.321 50 10 JKGE CC[C@@H](C)c1ccc([C@H](Br)c2c(Br)cccc2Br)cc1 2150495299 WKRPDSRIAMPGIX-DIFFPNOSSA-N 461.035 7.209 50 10 JKGE Brc1cccc(Br)c1[C@H](Br)Cc1nc2ccccc2s1 2150503313 KYRAOUNVKSMASQ-LLVKDONJSA-N 476.031 6.500 50 10 JKGE CCc1nn(-c2cc(Br)cc(F)c2CCl)c(CC)c1I 2170683944 AYOXJSMDMMKVJY-UHFFFAOYSA-N 471.539 5.242 50 10 JKGE CC(C)(C)[C@@H]1CC[C@@H](Br)[C@H](Cc2cc(Br)ccc2Br)C1 2175145594 VUUJUBBDJVKCDN-UXIGCNINSA-N 467.083 6.980 50 10 JKGE O=[N+]([O-])c1ccc(CBr)c(Oc2ccc(Br)cc2Br)c1 2176906571 LXLQRZFRIHRRKV-UHFFFAOYSA-N 465.923 5.807 50 10 JKGE FC(F)(F)c1ccc([C@H](Br)c2sc(Cl)cc2Br)c(Cl)c1 2179258722 HDPICIFDMJKWCO-JTQLQIEISA-N 468.947 7.321 50 10 JKGE CN(CCCCCn1c(CCl)nc2cc(I)c(F)cc21)Cc1ccccc1 2184095464 RKQSLOXXXBSQQW-UHFFFAOYSA-N 499.799 5.821 50 10 JKGE BrCc1cc(Br)c(OCc2ccnn2C2CC2)c(Br)c1 2194127570 AHJWEJZYOSYTTR-UHFFFAOYSA-N 464.983 5.217 50 10 JKGE BrCc1cc(Br)cc(Br)c1OCc1ccnn1C1CC1 2194129201 JRPZDHCFTIVBCI-UHFFFAOYSA-N 464.983 5.217 50 10 JKGE Cc1c(Br)cccc1[C@H](Br)c1c(Br)cc(F)c(Cl)c1F 2201618743 KRLKBIPNAPUJIE-LBPRGKRZSA-N 489.379 6.936 50 10 JKGE Cc1cc(Br)c(C)c([C@H](Br)c2cc(F)ccc2F)c1Br 2203360346 VWYHHSYVYNOMBG-OAHLLOKOSA-N 468.961 6.591 50 10 JKGE Cc1cc([C@H](Br)c2ccc(Br)c(C)c2Br)cc(C)c1F 2203688775 VSDXZENXFFYNCQ-HNNXBMFYSA-N 464.998 6.760 50 10 JKGE Cc1sc([C@H](Br)c2cc(Br)c(Cl)s2)c(Br)c1C 2215944157 LCBIRFZWDFGBBA-SECBINFHSA-N 479.484 7.089 50 10 JKGE Cc1cccc([C@@H](Br)c2sc(Br)c(C)c2C)c1Br 2218789358 HMCZBZOXZKWJPO-GFCCVEGCSA-N 453.037 6.683 50 10 JKGE Cc1cc(Br)c([C@@H](Br)C(C)(C)C(C)(C)C)c(C)c1Br 2227346221 CHPIPVNEIQWYJJ-CQSZACIVSA-N 455.072 7.337 50 10 JKGE CCC1CC(C[C@@H](Br)c2c(Br)cc(C)c(Br)c2C)C1 2227359279 GSBFDBBXHPRMGX-ORHYLEIMSA-N 453.056 7.091 50 10 JKGE COc1cc(Br)c(C)cc1[C@@H](Br)c1sc(C)c(Br)c1C 2234463683 ICMKKWMATTUJNP-CQSZACIVSA-N 483.063 6.691 50 10 JKGE Cc1ccc(C)c([C@H](Br)c2c(Br)cc(C)c(Br)c2C)c1 2235606048 VDDBXMJDQAOVID-KRWDZBQOSA-N 461.035 6.930 50 10 JKGE Cc1cc(Br)c([C@H](Br)[C@@H]2C[C@H]3O[C@H]2[C@@H]2C[C@H]32)c(C)c1Br 2235613774 AYRGRBZMZIZLOH-RMKDTBIHSA-N 465.023 5.688 50 10 JKGE Cc1cc(Br)c([C@@H](Br)[C@@H]2CC[C@H]3C[C@H]2CO3)c(C)c1Br 2235615500 RYQRKHWWAJFUJX-OVZMXSCWSA-N 467.039 6.080 50 10 JKGE Cc1cc([C@H](Br)c2cc(Br)c(Cl)cc2F)cc(C)c1Br 2235681100 GHLZGEJOYBYVPS-HNNXBMFYSA-N 485.416 7.105 50 10 JKGE Cc1cc(Cl)c(Cl)cc1[C@@H](Br)c1csc(I)c1 2246351269 KCSFYBSGHSANFL-LBPRGKRZSA-N 461.977 6.452 50 10 JKGE BrC[C@@H](C1CC1)N(Cc1ccccc1)c1nc2ccc(Br)cc2s1 2253382156 NMCZKRPKVWRXOB-KRWDZBQOSA-N 466.242 6.239 50 10 JKGE Fc1cc(Cl)c([C@@H](Cl)c2cc(Br)ccc2Br)cc1Br 2270454336 WPXZMFQKDIHIAV-ZDUSSCGKSA-N 491.807 7.095 50 10 JKGE Clc1cccc([C@H](Cl)Cc2cc(Br)cc(Br)c2)c1Br 2277955282 JGORNWJFPKBQEC-CYBMUJFWSA-N 487.844 7.150 50 10 JKGE CC(C)c1cc(Br)cc([C@@H](Cl)c2cc(Br)ccc2Br)c1 2280664927 AWSLMQPUDAAQAE-MRXNPFEDSA-N 481.453 7.426 50 10 JKGE COc1ccc(C=CC(=O)Oc2ccc(C=NNC(=O)COc3ccc(Cl)cc3Cl)cc2)cc1 2294162135 MYZLBKICULWZNN-UHFFFAOYSA-N 499.350 5.150 50 10 JKGE CCOC(=O)c1c(-c2ccc(C)cc2)csc1NC(=O)C(C#N)=Cc1ccccc1Cl 2296500297 BWZDZGCYIRDMOJ-UHFFFAOYSA-N 450.947 6.099 50 10 JKGE N#CC(=Cc1ccc(-c2cc(Cl)ccc2Cl)o1)c1nc(-c2cc3ccccc3oc2=O)cs1 2296975909 IULFIGREFNDAJL-UHFFFAOYSA-N 491.355 7.547 50 10 JKGE COc1ccc(C=C(C#N)C(=O)Nc2cc(C(F)(F)F)ccc2Cl)cc1Br 2297381455 XOAGSVJNKWZMKP-UHFFFAOYSA-N 459.649 5.676 50 10 JKGE CCOC(=O)NN=C1C=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 2297504849 ZGBFIPQSPKDRKC-VVKLTESASA-N 454.655 6.427 50 10 JKGE Brc1ccc(OCc2ccccc2)c([C@H](Br)[C@@]23CCOC[C@@H]2C3)c1 2299493428 GNJOXPPOKCCCKV-RYGJVYDSSA-N 452.186 5.891 50 10 JKGE Brc1cc(OCc2ccccc2)ccc1[C@H](Br)C[C@@H]1CC[C@H]2C[C@@H]12 2299505117 TWTQZOFXOCEWGN-XAMWDVODSA-N 450.214 6.900 50 10 JKGE Fc1c(Br)cc(Cl)c([C@@H](Br)[C@H]2CC2(F)F)c1Br 2300165197 ILMWHLKHTBMCQB-NFNCENRGSA-N 457.309 6.095 50 10 JKGE ClC[C@H](OCc1cc(Br)cc(Br)c1)[C@@H](Br)CCl 2300178746 LRVQBZPPRAKFKR-QWRGUYRKSA-N 469.826 5.338 50 10 JKGE CCCc1sc(Br)cc1[C@@H](Br)c1nscc1Br 2300649298 UAJDUGIOJVVSDC-SNVBAGLBSA-N 460.054 6.166 50 10 JKGE CC[C@@H](C[C@@H](C)Br)NCc1ccc(I)c(Br)c1 2306220896 AUXSGMZDKOIJJI-KOLCDFICSA-N 475.006 5.095 50 10 JKGE COc1cc(C=C(C#N)C(=O)Nc2cccc(Cl)c2Cl)ccc1OCc1ccc2c(c1)OCO2 2313570847 HQHHQYFDRDIQDC-UHFFFAOYSA-N 497.334 5.855 50 10 JKGE COc1c([C@@H](Br)c2ccc(OCc3ccccc3)cc2Br)csc1C 2314446822 XQWJPZCFAOZZGG-IBGZPJMESA-N 482.237 6.891 50 10 JKGE CCn1ncc(Br)c1[C@H](Cl)c1cc(Br)ccc1OCc1ccccc1 2314458534 FUIDMSPZTOHYEE-GOSISDBHSA-N 484.619 6.335 50 10 JKGE N#CC(=Cc1ccc(-c2nc3ccccc3s2)o1)C(=O)Nc1sc2c(c1C(N)=O)CCCC2 2314487253 OWGLZNIMROVPPM-UHFFFAOYSA-N 474.567 5.141 50 10 JKGE CC[C@H](C)N1C(=O)C(=Cc2ccc(OCc3ccc(Cl)cc3Cl)c(OC)c2)C(C)=C(C#N)C1=O 2314610194 DTZUHSPITAJIHP-HNNXBMFYSA-N 499.394 5.972 50 10 JKGE CC1=C(C#N)C(=O)N(Cc2ccccc2)C(=O)C1=Cc1cn(-c2ccccc2)nc1-c1ccc(F)cc1 2314611529 WIBRKTGKUKNDJX-UHFFFAOYSA-N 488.522 5.471 50 10 JKGE CC(C)[C@@H](Br)C(C)(C)NC(=O)c1csc(Br)c1Br 2318062411 RCEOWFMVWPZZDT-SECBINFHSA-N 462.045 5.201 50 10 JKGE Cc1scc([C@H](Br)Cc2ccc(Br)cc2Cl)c1Br 2320475058 ZJPFZCXJJKTNFO-LLVKDONJSA-N 473.455 6.914 50 10 JKGE CC[C@@H](NC(=O)C(C#N)=CNc1ccccc1Sc1ccccc1)c1ccc2c(c1)CCCC2 2325081452 TWMSGSFRGPBCBB-AREMUKBSSA-N 467.638 6.803 50 10 JKGE CCc1cccc(C)c1N1C[C@H](C(O)=C(C#N)c2nc(-c3ccc4ccccc4c3)cs2)CC1=O 2331238683 LUKRHUQBFCCFRW-HSZRJFAPSA-N 479.605 6.680 50 10 JKGE CCCCc1ccc(-c2csc(C(C#N)=C(O)c3c(Cl)ccc(Cl)c3OC)n2)cc1 2331256581 BTUXIBPUCXMZLS-UHFFFAOYSA-N 459.398 7.418 50 10 JKGE N#CC(=C(O)CCCCCNC(=O)c1ccccc1)c1nc(-c2ccc([N+](=O)[O-])cc2)cs1 2331281504 ICBYHXCXCQXHCI-UHFFFAOYSA-N 462.531 5.501 50 10 JKGE CCCCCCCOc1ccc(-c2csc(C(C#N)=C(O)c3cccc4ccccc34)n2)cc1 2331345469 NEGKJSJAGCAMFR-UHFFFAOYSA-N 468.622 8.262 50 10 JKGE Cc1ccc(-c2csc(C(C#N)=C(O)CCCOc3cc(C)c(Cl)c(C)c3)n2)cc1C 2331382807 KDKXUPNORLNIRZ-UHFFFAOYSA-N 453.007 7.349 50 10 JKGE CC[C@H](C)N1C(=O)c2ccc(C(O)=C(C#N)c3nc(-c4c(C)cc(C)cc4C)cs3)cc2C1=O 2331393172 UVPWUIXOKOFGSZ-KRWDZBQOSA-N 471.582 6.080 50 10 JKGE COc1ccc(-c2csc(C(C#N)=Cc3ccc(OCc4ccccc4C)cc3)n2)cc1Cl 2331484885 ZNXZOJOVKPOLQJ-UHFFFAOYSA-N 472.997 7.424 50 10 JKGE CC(C)C(C(C)C)[C@H](Br)c1c(Cl)cc(Br)c(F)c1Br 2337092860 XBOIPHDOQLLZHI-LBPRGKRZSA-N 479.453 7.368 50 10 JKGE CCCO[C@@H]1[C@@H](Br)C[C@H]1OCc1cc(Br)cc(Br)c1 2337095837 APIDAJSOASHRBC-BFHYXJOUSA-N 457.000 5.059 50 10 JKGE Clc1ccc(CN2CC[C@@]3(CCC[C@@H]3Br)C2)cc1I 2337226299 WTHNWXHEMOQBFM-GJZGRUSLSA-N 454.577 5.084 50 10 JKGE Brc1cc2c(c([C@H](Br)c3cnsc3Br)c1)OCCC2 2337306590 WASSNFKMJJDFHB-NSHDSACASA-N 468.008 5.477 50 10 JKGE CCCc1sc(Br)cc1[C@@H](Cl)Cc1ccccc1I 2338030835 XZQAWMOLORFQQI-LBPRGKRZSA-N 469.613 6.590 50 10 JKGE Cc1cc(Br)c(F)c(Br)c1[C@@H](Cl)c1c(C)nsc1Br 2339655139 CUWVHIYANCYUJP-SNVBAGLBSA-N 492.433 6.515 50 10 JKGE COc1c(Cl)cc(CO[C@H](CCl)[C@@H](I)CCl)cc1Cl 2340057964 MEDZTCOHSOYMAR-WDEREUQCSA-N 457.950 5.168 50 10 JKGE Clc1ccc([C@H](Br)CCc2ccc(Cl)cc2I)cc1 2341060868 ZXULERUUGHWELW-CQSZACIVSA-N 469.975 6.667 50 10 JKGE CN(c1cc(Br)cc(F)c1CCl)[C@H]1C[C@@H]2C[C@H](OCc3ccccc3)C[C@H]12 2357089883 QHSZQUWMFPKAIL-DBSRCYSRSA-N 452.795 6.147 50 10 JKGE O=S1(=O)CCCC[C@@H]1[C@H](Br)c1c(F)cc(Cl)c(Br)c1Cl 2360427754 XESMBAXLNIMYRR-KCJUWKMLSA-N 468.997 5.298 50 10 JKGE Fc1cc(Cl)c(Br)c(Cl)c1[C@H](Br)[C@H]1CC[C@H]1C(F)(F)F 2360436095 NURXPPTVNJBCGX-OBXARNEKSA-N 458.902 6.920 50 10 JKGE Brc1ccc(OCc2ccccc2)c([C@@H](Br)c2ccc3c(c2)OCCO3)c1 2361179687 XOJYXPDRUGAJEA-QFIPXVFZSA-N 490.191 6.284 50 10 JKGE Fc1c(Br)cc(Cl)c([C@@H](Br)C2CC3(CCCC3)C2)c1Br 2362223140 GEPTWECADNXKDU-LBPRGKRZSA-N 489.448 7.411 50 10 JKGE Cc1cc(Br)c(F)c(Br)c1[C@@H](Br)C[C@H]1C[C@H]2CC[C@H]1C2 2365179141 NHDMSRSTXSKJRM-YFKTTZPYSA-N 469.030 6.921 50 10 JKGE C[C@@H]1[C@@H](C(F)(F)F)N(C[C@](C)(CBr)C(C)(C)C)CCN1C(=O)OC(C)(C)C 2380182222 FQKXJKJXRGGKKF-GLJUWKHASA-N 459.391 5.306 50 10 JKGE N#C/C(=C\c1ccc(Sc2ncccn2)c([N+](=O)[O-])c1)C(=O)Nc1cccc(Cl)c1Cl 3330024 FKOXTTQFNRXVHM-UKTHLTGXSA-N 472.313 5.388 50 10 JKGE CSc1sc(C)cc1[C@H]1C(C#N)=C(N)N(c2cccc(Cl)c2)C2=C1C(=O)CC(C)(C)C2 9981538 RVXZAOVPLZYAIE-FQEVSTJZSA-N 470.063 6.373 50 10 JKGE O=C(C=C(Sc1ccccc1)Sc1ccccc1)N/N=C/c1cc(Cl)cc(Cl)c1O 21318746 RXJDXFCMBXACER-AFUMVMLFSA-N 475.422 6.575 50 10 JKGE Cc1ccc(Cc2cnc(NC(=O)/C(C#N)=C\c3ccc(-c4cccc(Cl)c4)o3)s2)cc1 33148366 QTKFFNIGHRWHPW-UYRXBGFRSA-N 459.958 6.501 50 10 JKGE N#C/C(=C/c1cccc(OCc2cccc3ccccc23)c1)C(=O)Nc1ccc([N+](=O)[O-])cc1Cl 33930096 WDZNSCDCHCSCHK-BKUYFWCQSA-N 483.911 6.526 50 10 JKGE C[C@@H]1Oc2ccccc2C=C1/C=C(/C#N)c1nc(-c2ccccc2)c(NC(=O)c2ccccc2)s1 34982830 YKNJSIGBCBEIKI-ODHYRZOZSA-N 475.573 6.834 50 10 JKGE C[C@H](Oc1ccccc1F)C(=O)Oc1ccc2c(c1)OC(N)=C(C#N)[C@H]2c1ccc(Cl)cc1 38651369 HEEALAMYLDFAEU-PSLXWICFSA-N 464.880 5.070 50 10 JKGE CC(C)COc1ccc(C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@@H]3c2ccc(Cl)cc2)cc1 38651375 QPYHGKHBEAKOGQ-RUZDIDTESA-N 474.944 5.812 50 10 JKGE N#CC1=C(N)Oc2cc(OC(=O)Cc3ccccc3)ccc2[C@@H]1c1ccc(Cl)cc1Cl 38655633 WTBPPPWQBCLCKK-QHCPKHFHSA-N 451.309 5.360 50 10 JKGE N#CC1=C(N)Oc2cc(OC(=O)c3ccc([N+](=O)[O-])cc3)ccc2[C@@H]1c1c(Cl)cccc1Cl 38679619 VSDUXNOUPYBGQL-FQEVSTJZSA-N 482.279 5.339 50 10 JKGE CCCCOc1ccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4ccccc4C)ccc32)cc1OCC 38683994 UASQXQHARYOGTK-MUUNZHRXSA-N 498.579 6.010 50 10 JKGE O=C(CCCc1c(-c2ccc3ccccc3n2)[nH]c2ccc(Cl)cc12)NNC(=O)Cc1ccccc1 39867476 XJCZUOZVFZCQEV-UHFFFAOYSA-N 496.998 5.749 50 10 JKGE N#C/C(=C\c1ccc2noc(-c3ccc(Cl)cc3)c2c1)C(=O)Nc1cc(Cl)cc(Cl)c1 39884641 ZDZITXLHEHNCGC-VIZOYTHASA-N 468.727 7.001 50 10 JKGE Cc1cccc(NC(=O)c2oc3c(c2C)/C(=N/NC(=O)C(F)(F)C(F)(F)C(F)(F)F)CCC3)c1 40823279 VJALWXCDDBMCSL-VVEOGCPPSA-N 493.379 5.138 50 10 JKGE COc1ccc2ccccc2c1/C=N/NC(=O)COc1ccc(Br)cc1C(C)C 40951066 UONJGOUKIGVZLL-DHRITJCHSA-N 455.352 5.263 50 10 JKGE CCc1cc([N+](=O)[O-])ccc1-c1ccc(/C=C(\C#N)C(=O)Nc2ccc(Cl)c(OC)c2)o1 58833218 VSLLWXAIIWMHDA-RVDMUPIBSA-N 451.866 5.625 50 10 JKGE Cc1cccc(COc2ccc(/C=N/NC(=O)c3cc4cc(Br)ccc4o3)cc2)c1 59305184 HMCMIVXBCBDMQR-VULFUBBASA-N 463.331 5.847 50 10 JKGE CC(C)c1ccc(N2C(=O)[C@@H](Cc3ccc(F)cc3)S/C2=C(/C#N)C(=O)NCc2ccccc2)cc1 101240961 YHSVGJKXIGVBSW-SJCFVWOQSA-N 499.611 5.692 50 10 JKGE CCc1ccc(N2C(=O)[C@@H](Cc3cccc(C)c3)S/C2=C(/C#N)C(=O)Nc2ccccc2OC)cc1 101246410 YMAPDKWHFZKBAD-LVVXZCGBSA-N 497.620 5.631 50 10 JKGE CC1=C(C#N)C(=O)N(C[C@@H]2CCCO2)C(=O)/C1=C/c1ccc(OCc2ccc(Cl)cc2Cl)cc1 101337354 PFTROVWLBZRPGU-IQTGRTGDSA-N 497.378 5.344 50 10 JKGE CCOC(=O)c1c(N/C=C(/C#N)c2nc(-c3cccs3)cs2)sc2c1CC[C@H](C(C)(C)C)C2 102924836 PYTWTARSTCUOFC-KGAUPUERSA-N 497.711 7.237 50 10 JKGE Fc1c([C@H](Cl)c2cc(Br)sc2Br)cccc1C(F)(F)F 125538233 QFIVTKBYLZDJAP-VIFPVBQESA-N 452.492 6.759 50 10 JKGE COc1c(C)cc(Br)c(C)c1[C@@H](Br)Cc1ccc(Br)cc1 125741499 BXLJCZBRLJFDTP-HNNXBMFYSA-N 477.034 6.516 50 10 JKGE O=C(Nc1ccccc1CBr)c1cc(Br)c(Br)s1 139829759 PXBUOUBGLVEWJK-UHFFFAOYSA-N 453.981 5.420 50 10 JKGE CCCOc1c(OCC)cc(/C=N/NC(=O)C23CC4C[C@](C)(C2)C[C@@](C)(C4)C3)cc1[N+](=O)[O-] 169889368 SLELXGFPZWDLRT-BLGOAPBQSA-N 457.571 5.229 50 10 JKGE Brc1ccc([C@H](Br)c2sccc2Br)c(Br)c1 232482678 ASOUUOWZKGEBJP-JTQLQIEISA-N 489.852 6.520 50 10 JKGE COc1cc(F)c(Br)cc1[C@@H](Br)c1ccc(F)c(Br)c1 234865804 PPEXCWFHCUNIES-AWEZNQCLSA-N 470.933 5.983 50 10 JKGE Cc1cc([C@@H](Br)c2cc(Br)ccc2I)ccc1F 235862389 FQLRYWDIXILHLF-CQSZACIVSA-N 483.944 5.986 50 10 JKGE Clc1ccc(C[C@H](Br)c2cc(Cl)ccc2I)cc1 236047279 JHCZSMDYXQOPHI-ZDUSSCGKSA-N 455.948 6.277 50 10 JKGE Fc1ccc([C@@H](Cl)c2cc(Br)cc(Br)c2)cc1Br 236207995 OVJKURIQFVFBMN-CYBMUJFWSA-N 457.362 6.441 50 10 JKGE O=C(Cc1ccc([N+](=O)[O-])cc1)NN=Cc1ccc(OCc2ccccc2)cc1OCc1ccccc1 254302118 YKXROSCYQRDEPX-UHFFFAOYSA-N 495.535 5.446 50 10 JKGE c1ccc(N=Nc2ccc(N=P(c3ccccc3)(c3ccccc3)c3ccccc3)cc2)cc1 263628154 GCULFCLKGQBOGK-UHFFFAOYSA-N 457.517 7.911 50 10 JKGE CCC[C@@H](CC(C)C)[C@@H](Br)c1cc(Br)c(C)cc1Br 308025272 GCUREDWVQOMHGX-BLLLJJGKSA-N 455.072 7.418 50 10 JKGE FC(F)(F)CCCOc1c(Br)cc(Br)cc1CBr 311190513 FGBMRAHXJATLHM-UHFFFAOYSA-N 454.906 5.828 50 10 JKGE Cc1cc(C)c([C@@H](Cl)c2cc(Cl)ccc2I)c(C)c1Br 383589304 KLRGCRPPXVYXPI-INIZCTEOSA-N 484.002 6.961 50 10 JKGE C[C@@H](Cl)c1nc2cc(C(F)F)ccc2n1CCCN(Cc1ccccc1)Cc1ccccc1 390472331 CHFFRVNQUGJZRN-HXUWFJFHSA-N 467.991 7.366 50 10 JKGE C[C@@H](Br)[C@@H]1CCCCN1C(=O)c1cc(Br)sc1Br 688851024 IREUPXUXSHLXJI-APPZFPTMSA-N 460.029 5.051 50 10 JKGE C[C@@H](CBr)[C@H]1CCCCN1C(=O)c1cc(Br)ccc1Br 696707610 BQUSOXNATVOATN-IINYFYTJSA-N 468.027 5.237 50 10 JKGE CC1(C)[C@H](OCc2ccccc2)C[C@H]1n1c(CCl)nc2ccc(F)c(Br)c21 718080735 RYOMIRROKNZOAZ-IAGOWNOFSA-N 451.767 6.233 50 10 JKGE C[C@H]1Cc2cc(Br)cc([C@H](Br)c3ccoc3Br)c2O1 720029554 BIGOWRFKNJTXFY-JVXZTZIISA-N 450.952 5.612 50 10 JKGE Fc1cccc([C@H](Br)c2cc(Cl)sc2Cl)c1I 721672984 POFNLLNLVKMECR-VIFPVBQESA-N 465.940 6.283 50 10 JKGE COC[C@H](COc1c(Br)cc(CBr)cc1Br)C(C)C 721971641 IZNVFZITCHCKPX-LLVKDONJSA-N 459.016 5.404 50 10 JKGE CCOc1ccc([C@@H](O)CCC(=O)NN=Cc2cc(C)n(-c3ccc(-c4ccccc4)cc3)c2C)cc1 725413850 BUVZIGZIZHIRDS-PMERELPUSA-N 495.623 6.124 50 10 JKGE CCOc1cc(/C=C(/C#N)C(=O)Nc2cc(C)ccc2C)ccc1OCc1cccc(Cl)c1 1083994068 UIYRDGKWWPVHGI-XKZIYDEJSA-N 460.961 6.480 50 10 JKGE Cc1cc(C=NNC(=O)CSCc2ccc(Cl)cc2)c(C)n1-c1cccc(Cl)c1Cl 1084020883 KCQRLKGTFAEDTC-UHFFFAOYSA-N 480.848 6.438 50 10 JKGE O=C(Cc1ccc([N+](=O)[O-])cc1)NN=Cc1ccc(OCc2ccc(Cl)cc2Cl)cc1 1084103122 MSRPUYHJOXDYEQ-UHFFFAOYSA-N 458.301 5.173 50 10 JKGE CCOc1cc(/C=C(/C#N)C(=O)Nc2ccc(Cl)cc2)ccc1OC(=O)c1ccc(C)cc1 1084186990 SZWFZLJLBDIHAI-ZHZULCJRSA-N 460.917 5.812 50 10 JKGE C#CCOc1ccc(C=NNC(=O)c2ccc(-n3c(C)ccc3-c3ccccc3)cc2)cc1OCC 1084195321 JDCNNRYHFBUYPE-UHFFFAOYSA-N 477.564 5.627 50 10 JKGE Cc1c(C(=O)Nc2cccnc2)oc2c1C(=NNC(=O)C(c1ccccc1)c1ccccc1)CCC2 1772749169 QSHGOZKXHBLARO-UHFFFAOYSA-N 478.552 5.224 50 10 JKGE Cc1cc(C)c2c(CC(=O)NN=C3CCCc4oc(C(=O)N(C)Cc5ccccc5)c(C)c43)coc2c1 1772752112 ZMYUYTZJCVREIA-UHFFFAOYSA-N 497.595 5.623 50 10 JKGE CCOc1cc([C@@H]2C(C#N)=C(N)Oc3c2c(-c2ccccc2)nn3Cc2cc(C)ccc2C)ccc1O 1865681522 POYBXVSXOBLKSC-AREMUKBSSA-N 492.579 5.538 50 10 JKGE CCc1nn(Cc2ccc(Cl)c(Cl)c2)c2c1[C@H](c1ccccc1Cl)C(C#N)=C(N)O2 1865685133 GBGMIEOLKXQSMX-LJQANCHMSA-N 459.764 5.672 50 10 JKGE CCCCCOc1ccc([C@@H]2C(C#N)=C(N)Oc3c2c(C)nn3Cc2cc(C)ccc2C)cc1OC 1865695104 KBKCBOMOMNPZCD-HHHXNRCGSA-N 486.616 5.652 50 10 JKGE CCCOc1ccccc1[C@H]1C(C#N)=C(N)Oc2c1c(CCC)nn2Cc1ccccc1Cl 1865703257 RTWQZDUDFIRMQN-QHCPKHFHSA-N 462.981 5.544 50 10 JKGE CCCOc1ccccc1[C@H]1C(C#N)=C(N)Oc2c1c(CC)nn2-c1ccc(Br)cc1 1865703268 RXWJEXCHFLJBTF-NRFANRHFSA-N 479.378 5.204 50 10 JKGE COc1ccc(-c2nn(Cc3ccccc3)c3c2[C@@H](c2ccccc2OC(C)C)C(C#N)=C(N)O3)cc1 1865705117 MSCNWCBKLDKZPA-SANMLTNESA-N 492.579 5.612 50 10 JKGE CCc1ccc([C@H]2C(C#N)=C(N)Oc3c2c(C(F)(F)F)nn3-c2cccc3ccccc23)cc1 1865708656 BZANADAOWQZXNJ-NRFANRHFSA-N 460.459 5.825 50 10 JKGE COCCOc1ccc(/C=C(\C#N)C(=O)Nc2sc(C)c(-c3ccc(C)cc3)c2C(=O)OC)cc1 1866215480 YUJJKWMMLDWCLL-RCCKNPSSSA-N 490.581 5.389 50 10 JKGE CC[C@H](NC(=O)CC(c1ccc(F)cc1)c1ccc(F)cc1)C(=O)Nc1ccc(SC#N)cc1 1866759258 YWSBTNMEGICOOQ-DEOSSOPVSA-N 479.552 5.593 50 10 JKGE CC(C)c1ccc([C@@H](C(=O)N[C@H](C(=O)Nc2ccc(SC#N)cc2)c2ccccc2)C(C)C)cc1 1866964247 SUFWBLSMGPMMDI-SVBPBHIXSA-N 485.653 6.619 50 10 JKGE CCC[C@@H](NC(=O)c1ccc(-c2cc3ccccc3[nH]2)cc1)C(=O)Nc1ccc(SC#N)cc1 1867060600 CGZXVASFQGGNCH-XMMPIXPASA-N 468.582 5.945 50 10 JKGE COc1cc2nc(/C(C#N)=C/c3ccccc3OCc3ccccc3C)nc(O)c2cc1OC 1872727661 QZYMEOUGJOOAPQ-UDWIEESQSA-N 453.498 5.304 50 10 JKGE COc1c(Br)cc(Br)cc1/C=C(\C#N)c1nc2cc(C)ccc2n1C 1872727940 HXNBSZHATYTKIX-NTUHNPAUSA-N 461.157 5.480 50 10 JKGE N#C/C(=C(/O)c1ccc(N2CCCC2)c([N+](=O)[O-])c1)c1nc(-c2cccc(Br)c2)cs1 1872747051 LQYZCPNSEOKBIV-FXBPSFAMSA-N 497.374 6.031 50 10 JKGE COc1cc(OC)c(-c2csc(/C(C#N)=C(\O)COc3cc(C)c(Cl)c(C)c3)n2)cc1Cl 1872756675 VDNGISRRMAGKNU-MNDPQUGUSA-N 491.396 6.623 50 10 JKGE COc1ccc(-c2csc(/C(C#N)=C(O)/C=C/c3ccc(C(C)(C)C)cc3)n2)c2ccccc12 1872758907 WGLAFPDWRUEFBC-RZNGCSAPSA-N 466.606 7.775 50 10 JKGE CCOc1ccc(-c2csc(/C(C#N)=C/c3cccc(OCc4ccccc4)c3)n2)c(OCC)c1 1872794026 GJRBUIWQDVMNOB-HZHRSRAPSA-N 482.605 7.251 50 10 JKGE Cl[C@H](c1ccc(OCc2ccccc2)cc1Br)c1ccoc1Br 1899862395 UDRHDZFJUAPQFY-QGZVFWFLSA-N 456.561 6.712 50 10 JKGE CC[C@H](Br)CN(Cc1ccccc1)S(=O)(=O)c1cc(Cl)ccc1Cl 1915078095 MFRRUPMQKOIBOZ-AWEZNQCLSA-N 451.213 5.358 50 10 JKGE O=C(c1cc(F)ccc1Br)N(Cc1ccccc1)[C@H](CBr)C1CC1 1915310663 BNJKLCXDSBTUOY-GOSISDBHSA-N 455.165 5.404 50 10 JKGE Fc1cccc(Cl)c1C[C@H](Br)c1sc(Br)cc1Br 1922945549 HNUGLBHINOPFCP-ZETCQYMHSA-N 477.418 6.744 50 10 JKGE COC1CC([C@@H](Br)c2c(Br)sc(Br)c2Cl)C1 1923055004 NDNQLKHENBKJLW-KGMSYRRLSA-N 453.421 5.788 50 10 JKGE Fc1ccc(C[C@@H](Cl)c2c(Br)sc(Br)c2Cl)cc1F 1923066602 ROZRVQXONMYHCM-ZCFIWIBFSA-N 450.957 6.727 50 10 JKGE Cl[C@H](c1cc(Br)c(Br)s1)c1csnc1Br 1925225151 DEZKZTWIYAAYPV-LURJTMIESA-N 452.418 5.820 50 10 JKGE CCc1nc(C(=O)N(Cc2ccccc2)[C@H](C)CCBr)c(Br)s1 1980615317 OUNOIEOCZGAQFI-GFCCVEGCSA-N 460.235 5.284 50 10 JKGE CC(F)(F)[C@@H]1C[C@@H]1[C@H](Cl)c1c(Br)sc(Br)c1Br 2000495712 WBLSQVQKHGFCJA-XIVJJUGBSA-N 473.402 6.607 50 10 JKGE COc1ccc([C@H](Br)c2csc(Br)c2Br)cc1Cl 2032958302 AHWJECSVSWSBBW-JTQLQIEISA-N 475.427 6.419 50 10 JKGE CS(=O)(=O)c1sccc1[C@@H](Br)c1cc(Br)c(Cl)s1 2033134009 BCCCSOKWOMEQNG-MRVPVSSYSA-N 450.626 5.113 50 10 JKGE COCc1cc(Br)c([C@H](Br)c2cc(Cl)c(Cl)s2)s1 2038479416 WMWZRCPSSKALBB-SECBINFHSA-N 451.032 6.510 50 10 JKGE Cc1ccc(NC(SCc2ccccc2Cl)=C(C#N)c2nc3ccccc3s2)cc1C 2053623202 LJDFSOJBGDATMZ-UHFFFAOYSA-N 462.043 7.804 50 10 JKGE CCOC(=O)OC(=C[P+](c1ccccc1)(c1ccccc1)c1ccccc1)c1ccccc1 2059840880 UILWXCYDRZXJIY-UHFFFAOYSA-N 453.498 6.152 50 10 JKGE CC1(C)OCCC[C@H]1[C@@H](Cl)c1c(Br)sc(Br)c1Br 2066883021 HRJRHBHSKYVVER-IMTBSYHQSA-N 481.475 6.521 50 10 JKGE CCOc1ccc([C@H](Br)c2cc(C)sc2Br)c(Br)c1 2101015115 SPYBBFQSIJXWNK-ZDUSSCGKSA-N 469.036 6.465 50 10 JKGE C[C@@]1([C@@H](Br)c2c(Cl)sc(Br)c2Cl)CCCCC1(F)F 2111644753 BUHWQPWFDWNGTA-KWQFWETISA-N 457.005 7.469 50 10 JKGE Fc1cc(Br)c([C@@H](Cl)c2cc(Br)c(Cl)s2)c(F)c1F 2115930856 PYDVYLACRYHOAT-QMMMGPOBSA-N 454.920 6.672 50 10 JKGE Cc1sc(Br)c([C@@H](Br)c2cc(Cl)c(C)c(Br)c2)c1C 2138258659 SAXNYEJZTQTYOP-ZDUSSCGKSA-N 487.482 7.336 50 10 JKGE BrC[C@H]1CCC2(CCC2)N1Cc1c(Br)cccc1Br 2140839762 FYIOOTOJDUAICT-LLVKDONJSA-N 452.028 5.494 50 10 JKGE CO[C@](C)(COCc1ccccc1)Cn1c([C@@H](C)Cl)nc2cncc(Br)c21 2151792504 BGKFKBCVNVBDEF-VLIAUNLRSA-N 452.780 5.116 50 10 JKGE CC12CCOC(COc3c(Br)cc(CBr)cc3Br)(C1)C2 2193674193 HCWZXOUCTARBRW-UHFFFAOYSA-N 469.011 5.445 50 10 JKGE Cc1ccc(F)c([C@H](Br)c2c(C)c(Br)cc(C)c2Br)c1 2201074117 QEAATMSRPWIDKV-INIZCTEOSA-N 464.998 6.760 50 10 JKGE Fc1cc(Br)c([C@H](Cl)c2c(Cl)cccc2Br)c(F)c1Cl 2201607888 ILFVCZJCYVHREE-GFCCVEGCSA-N 465.346 7.125 50 10 JKGE Fc1cc(F)c(F)c([C@@H](Cl)c2ccc(Br)cc2I)c1F 2207276039 RVWYIZMFNUGRGR-NSHDSACASA-N 479.436 5.938 50 10 JKGE CCN(C(=O)c1cc(Br)c(Br)s1)[C@@H]1CCC[C@@H]1Br 2217698287 WPNGDHGEBYRGBX-IONNQARKSA-N 460.029 5.051 50 10 JKGE C[C@@H](c1ccccc1)[C@H](Br)c1cc(Br)c(Br)cc1F 2225615047 BYHTUXBCSDPMEG-VFZGTOFNSA-N 450.971 6.590 50 10 JKGE Cc1cc(Br)c([C@H](Br)c2csc(C)c2C)c(C)c1Br 2227356804 SOVQEBWAWJYZPP-OAHLLOKOSA-N 467.064 6.991 50 10 JKGE Cc1cc(Br)c([C@H](Br)[C@@H]2C[C@@H]3CCC[C@@H]32)c(C)c1Br 2227361273 BCUVRAYQRMERMV-PVTKRXDGSA-N 451.040 6.701 50 10 JKGE Cc1sc([C@@H](Br)c2ccc3c(c2Br)CCO3)cc1Br 2229743701 FGIDJAVYDHXFNP-AWEZNQCLSA-N 467.020 6.001 50 10 JKGE Cc1cc(Br)c([C@H](Br)C[C@H](C)CC(C)(C)C)c(C)c1Br 2235605772 ULCSJWMGFCQOTL-GXFFZTMASA-N 469.099 7.727 50 10 JKGE CC1([C@@H](Br)c2c(Cl)sc(Br)c2Cl)CC2(CC(F)(F)C2)C1 2238842608 CLROMUVLLUWAHO-QMMMGPOBSA-N 469.016 7.469 50 10 JKGE Cc1ccc(I)c([C@H](Cl)c2ccc3c(c2Br)CCO3)c1 2240996090 IOOCHFSVNLFYPO-MRXNPFEDSA-N 463.540 5.625 50 10 JKGE Cc1sc([C@@H](Cl)c2csc(Br)c2Br)c(Br)c1C 2246380375 TXVBHASRVDFTPH-VIFPVBQESA-N 479.484 7.042 50 10 JKGE FC1(F)C[C@@H]([C@H](Br)c2cc(Br)c(Br)s2)C12CCC2 2254863963 QPOAHYZYTGYQKA-RCOVLWMOSA-N 464.995 6.535 50 10 JKGE Clc1cccc([C@H](Cl)c2ccc(Br)cc2Br)c1Br 2256135496 FIADWKMUPMOIBY-CYBMUJFWSA-N 473.817 6.956 50 10 JKGE CCCC(CBr)(CCC)COc1cc(I)ccc1Cl 2272693851 QSHMYFHKSBQWGL-UHFFFAOYSA-N 459.593 6.305 50 10 JKGE CC[C@@H]1OCC[C@H]1[C@@H](Br)c1c(F)cc(Br)c(F)c1Br 2272737297 BSQCHDBNYAIVJT-OUAIYISWSA-N 462.954 5.741 50 10 JKGE COc1cc(Br)c(OCCCCCCCBr)cc1Br 2277452593 XNZFUDDZXKKFCE-UHFFFAOYSA-N 459.016 5.944 50 10 JKGE COc1ccc([C@@H](Br)c2cc3sccc3s2)c(Br)c1Cl 2283564940 XHSRRJFJTOVTMH-GFCCVEGCSA-N 452.620 6.872 50 10 JKGE COc1cc(C)c(Br)c(C)c1[C@H](Br)c1cc(C)c(Br)o1 2285063362 HWGLVPGPORZVSO-CQSZACIVSA-N 466.995 6.223 50 10 JKGE Cc1c(C=C(C#N)C(=O)Nc2ccc3ccccc3c2)c2ccccc2n1Cc1ccc([N+](=O)[O-])cc1 2295165115 CVYZUNUJLCVVFK-UHFFFAOYSA-N 486.531 6.605 50 10 JKGE CC12CC([C@H](Br)Cc3cc(Br)cc(Br)c3)(C1)C(C)(C)O2 2295331883 PEIVWZYOKWZEEF-IUDNXUCKSA-N 467.039 5.865 50 10 JKGE COCC1([C@H](Br)c2cc(Br)c(Br)cc2F)CC(F)(F)C1 2295604829 ALBFYUSPMDKNBO-LLVKDONJSA-N 480.944 5.849 50 10 JKGE COc1cc(NC=C(C#N)c2nc(-c3ccc(Cl)c(Cl)c3)cs2)cc(OC)c1OC 2295945638 HSXLAEZKXMDPJY-UHFFFAOYSA-N 462.358 6.119 50 10 JKGE Cc1ccc(NC(=O)C(C#N)=C2S[C@@H](Cc3ccc(F)cc3)C(=O)N2c2ccc(C)cc2)cc1 2296834784 AESZYBDQFLYYDR-DEOSSOPVSA-N 471.557 5.508 50 10 JKGE Brc1ccc(OCc2ccccc2)c([C@H](Br)[C@H]2CCC23CCC3)c1 2299492066 HFCOFGGHKYTZCX-QUCCMNQESA-N 450.214 7.044 50 10 JKGE F[C@@H]1CCC[C@H]([C@@H](Br)c2cc(Br)ccc2OCc2ccccc2)C1 2299504621 OSCLKYSTOPDVKZ-XAUMDUMWSA-N 456.193 6.992 50 10 JKGE C[C@H]1OC2([C@@H](Br)c3ccc(OCc4ccccc4)cc3Br)CC1C2 2299533614 UYRDKOSTIXCGKU-JPGBJNGISA-N 452.186 6.032 50 10 JKGE CCCOc1c(I)cc(C=C(C#N)C(=O)Nc2ccc(C)cc2)cc1OCC 2313518848 WNFBSJIGBYDINC-UHFFFAOYSA-N 490.341 5.333 50 10 JKGE Brc1ccc(OCc2ccccc2)c([C@H](Br)[C@H]2CCCC3(CC3)C2)c1 2314494683 KKPUBSOZLLKLQL-LAUBAEHRSA-N 464.241 7.435 50 10 JKGE Cc1sc([C@@H](Br)c2cc(Br)ccc2OCc2ccccc2)c(C)c1C 2314495194 OSYNSXWAKAWILU-FQEVSTJZSA-N 480.265 7.499 50 10 JKGE CCc1ccc(N2C(=O)[C@@H](Cc3ccccc3C)SC2=C(C#N)C(=O)N[C@@H](C)c2ccccc2)cc1 2314593454 NCEQSRYKWZKHLE-KDYSTLNUSA-N 495.648 5.861 50 10 JKGE Cc1ccc(N2C(=O)[C@H](Cc3ccccc3C)SC2=C(C#N)C(=O)N[C@@H](C)c2ccccc2)cc1C 2314593611 PXGVKFLNQPZBBW-CUNXSJBXSA-N 495.648 5.916 50 10 JKGE CC1=C(C#N)C(=O)N(C(C)C)C(=O)C1=Cc1cn(-c2ccccc2)nc1-c1ccc(OC(C)C)cc1 2314610173 DILLRMBSIHQGDR-UHFFFAOYSA-N 480.568 5.327 50 10 JKGE Clc1cc(I)c([C@H](Br)C(C2CCC2)C2CCC2)s1 2316772417 WIRWYZMCMYVBDF-CYBMUJFWSA-N 459.618 6.659 50 10 JKGE CC(C)(C)[C@@H]1CC[C@H]1[C@@H](Br)c1c(Br)sc(Br)c1Cl 2320100609 HDPZCPPCKCZPHX-ZXFLCMHBSA-N 479.503 7.435 50 10 JKGE CC[C@@H]1C[C@H]1C[C@H](Br)c1c(Cl)cc(Br)c(F)c1Br 2320373293 QGZYAZPZBYHXAB-CSMHCCOUSA-N 463.410 6.876 50 10 JKGE CCOc1cc(C=C(C#N)c2nc3cc(C)ccc3n2C)ccc1OCc1ccc(Cl)cc1 2331018529 HSJYROIBLSPZFB-UHFFFAOYSA-N 457.961 6.577 50 10 JKGE CC(C)c1ccccc1O[C@@H](C)C(O)=C(C#N)c1nc(-c2cccc(Br)c2)cs1 2331278742 FAYYYNWNJACFEY-HNNXBMFYSA-N 469.404 6.956 50 10 JKGE CCOc1ccc(OCC)c(-c2csc(C(C#N)=C(O)Cc3ccc(Br)cc3)n2)c1 2331376251 RMDLEWOLRXZSDT-UHFFFAOYSA-N 485.403 6.405 50 10 JKGE COc1c(C)cc(Cl)cc1-c1csc(C(C#N)=C(O)Cc2ccc(OC(C)C)cc2)n1 2331392062 MBJPWTZZEMHKJY-UHFFFAOYSA-N 454.979 6.603 50 10 JKGE CCCCCCCOc1ccc(-c2csc(C(C#N)=Cc3cccc(Br)c3)n2)cc1 2331459760 SAMMPNMGKRJWPK-UHFFFAOYSA-N 481.459 7.986 50 10 JKGE BrCc1cc(Br)cc(Br)c1OC[C@@H]1C[C@@H]2CC[C@H]1C2 2334281007 YTFXSUXFDSEHQC-SCVCMEIPSA-N 453.012 5.922 50 10 JKGE FC(F)(F)C1([C@@H](Br)c2cc(Br)ccc2OCc2ccccc2)CCCC1 2336085828 HIFRBBLYTTYLAL-SFHVURJKSA-N 492.173 7.587 50 10 JKGE C[C@]12C[C@H](C1)[C@H]([C@H](Br)c1cc(Br)c(Br)cc1F)CO2 2337696823 FHRWLYWFKZFZEI-GCIKMIKUSA-N 456.975 5.602 50 10 JKGE Cn1nc(Br)c(Br)c1[C@@H](Cl)c1cc(Cl)c(F)cc1Cl 2338721482 YWYNARXPAMHAKK-VIFPVBQESA-N 451.348 5.719 50 10 JKGE Clc1cc(I)c([C@H](Br)C2CC3(C2)CC2(CCC2)C3)s1 2338777323 AWFCRNNSJRTJQI-GFCCVEGCSA-N 471.629 6.803 50 10 JKGE CCN(C[C@@](C)(CI)OCc1cccc(C(C)C)c1)C(=O)OC(C)(C)C 2343785112 GDIZMIYHAAIFTJ-OAQYLSRUSA-N 475.411 5.777 50 10 JKGE C[C@@](CI)(O[C@@H]1CC[C@@H]2[C@H]1C2(F)F)c1ccccc1Br 2358842737 JULYOXXQHFJABL-ZRJCITRHSA-N 457.096 5.160 50 10 JKGE Fc1cc(Cl)c(Br)c(Cl)c1[C@H](Cl)Cc1ccccc1Br 2360493465 QLWCOKDZERUGIW-SECBINFHSA-N 461.383 7.180 50 10 JKGE FC1(F)C[C@]12CCC[C@H]([C@H](Cl)c1cc(Br)ccc1OCc1ccccc1)C2 2361212112 VFBHKXLVQIOYKY-ORYQWCPZSA-N 455.770 7.524 50 10 JKGE CC1(C)CCC[C@@H]([C@@H](Br)c2c(Cl)cc(Br)c(F)c2Br)O1 2362233534 BJYHWNFLKKTBCQ-GXSJLCMTSA-N 493.436 6.788 50 10 JKGE CCOc1ccc([C@@H](Cl)c2c(Br)c(Br)nn2C)c(Br)c1 2364063074 FVSAKCXBVLAQQW-LLVKDONJSA-N 487.417 5.435 50 10 JKGE CCN[C@@H](c1c(C)cc(Br)c(OC)c1Br)C1CC(Br)C1 2365183872 MJNRJBKVNKDHPG-RPFQZYLTSA-N 470.043 5.353 50 10 JKGE COc1cc(Cl)c(CBr)c(N2CCCC[C@@H](N(C)Cc3ccccc3)C2)c1 2365809893 KXZDOMHJRAFOMY-GOSISDBHSA-N 451.836 5.734 50 10 JKGE COc1cc([C@H](Cl)c2c(C)c(Br)cc(C)c2Br)sc1Cl 2365831862 XBSQYQQEGUAEES-ZDUSSCGKSA-N 459.030 6.880 50 10 JKGE CCOc1ccc([C@@H](Br)c2c(F)cccc2I)c(F)c1 2367473588 CCBPANCWFDTFEN-OAHLLOKOSA-N 453.064 5.452 50 10 JKGE Cc1ccc(OCc2cc(I)ccc2Br)c(CCl)c1Cl 2367519499 IZJLEMHRBKPDMN-UHFFFAOYSA-N 485.974 6.333 50 10 JKGE Fc1cc(Br)c(F)c(Br)c1[C@H](Br)C[C@H]1CC[C@@H]1C1CC1 2368175774 AWQQPLOEZNSKTB-OPRDCNLKSA-N 472.993 6.752 50 10 JKGE CC1(C)CC[C@H](CCOc2c(Br)cc(Br)cc2CBr)C1 2370897377 YOPHEHIOINPFLS-LLVKDONJSA-N 469.055 6.702 50 10 JKGE Fc1cc([C@@H](Br)Cc2ccc(Br)cc2Cl)c(Cl)cc1Cl 2379773127 PMLDAKMGSTVDJZ-JTQLQIEISA-N 461.383 7.227 50 10 JKGE CC(C)[C@@H](Br)C(C)(C)CN(C)Cc1cc(I)ccc1Cl 2380515641 RXJOPLSMEXQUBP-OAHLLOKOSA-N 472.636 5.822 50 10 JKGE Cc1ccc(CN(C(=O)CCl)[C@H](C(=O)NC2CCC(C)CC2)c2ccc(Cl)cc2)cc1 3038377 XTWAUZPKKGOXDX-RWRPHHHKSA-N 461.433 5.652 50 10 JKGE N#C/C(=C(/Nc1ccccc1Cl)SCc1ccc(F)cc1)S(=O)(=O)c1ccccc1 20325234 RMLHKLZYJFLIKM-QURGRASLSA-N 458.967 5.991 50 10 JKGE COc1cc(/C=C(/C#N)c2ccccc2F)ccc1OC(=O)[C@@H](C)Oc1ccc(Cl)cc1Cl 31901776 VWEXJVCWKJYUCQ-QJISPJEISA-N 486.326 6.578 50 10 JKGE COc1cc(/C=C(/C#N)C(=O)Nc2ccc(C)c(C)c2)ccc1OCC(=O)Nc1ccc(C)cc1 34839790 FSVPBMSSZBUSFS-HMAPJEAMSA-N 469.541 5.184 50 10 JKGE COc1cc(/C=C(/C#N)C(=O)Nc2cccc(C(F)(F)F)c2)ccc1OCc1ccc([N+](=O)[O-])cc1 35341602 GOAOPZJWHHITKR-WQRHYEAKSA-N 497.429 5.747 50 10 JKGE CCCCCOc1ccccc1[C@@H]1C(C#N)=C(N)Oc2cc(OC(=O)c3ccccc3F)ccc21 38686184 IKXDGSOYFCIOHX-SANMLTNESA-N 472.516 5.832 50 10 JKGE N#CC1=C(N)Oc2cc(OC(=O)c3ccccc3)ccc2[C@H]1c1cccc(OCc2ccccc2F)c1 38686740 KFNHDVWYBKIHFE-MUUNZHRXSA-N 492.506 5.842 50 10 JKGE Cc1cc2oc(C(=O)Oc3ccc4c(c3)OC(N)=C(C#N)[C@@H]4c3ccccc3F)c(C)c2cc1Cl 38687982 OGECMANAHOATLR-XMMPIXPASA-N 488.902 6.280 50 10 JKGE CCOc1cc(/C=C2/C(=O)N(C3CCCC3)C(=O)C(C#N)=C2C)ccc1OCc1ccc(F)cc1 40514569 STTJJWSYYZGIIW-OEAKJJBVSA-N 474.532 5.338 50 10 JKGE Cc1ccc(NC(=O)c2oc3c(c2C)/C(=N/NC(=O)Cc2coc4cc(C)cc(C)c24)CCC3)nc1 40827027 ZTTSKHDTQDHRPV-AJBULDERSA-N 484.556 5.306 50 10 JKGE Cc1ccc(-c2ccc(OCC(=O)N/N=C/c3cn(Cc4ccccc4)c4ccccc34)cc2)cc1 40858739 FBWGUNYYFYYPHM-BIZUNTBRSA-N 473.576 6.194 50 10 JKGE COc1ccc(Br)cc1/C=N/NC(=O)CSc1nc(-c2ccc(Cl)cc2)cs1 40924883 CRCWOYGXPFDYSO-LSFURLLWSA-N 496.839 5.477 50 10 JKGE COc1cc(/C=C(\C#N)C(=O)NCc2ccccc2)ccc1OCc1ccc(Br)cc1 59281878 XTDPFDNORKYVPC-FYJGNVAPSA-N 477.358 5.260 50 10 JKGE COc1ccc(/C=C(/C#N)C(=O)N2N=C3/C(=C\c4ccccc4)CCC[C@@H]3[C@H]2c2ccccc2)cc1 89438462 WBSOGOCKXCLARZ-YCOAMGHUSA-N 473.576 6.425 50 10 JKGE CCOc1ccc([C@H](C(=O)NC2CCCCC2)N(Cc2ccc(C)cc2)C(=O)CCl)cc1OC 97914644 BDHUPWSYVMNDEG-AREMUKBSSA-N 487.040 5.160 50 10 JKGE CCCCCCCCOc1ccc(/C=N/NC(=O)COc2cccc(Br)c2)cc1 100980004 LNEBUOHTHQIUAB-KOEQRZSOSA-N 461.400 5.718 50 10 JKGE N#C/C(=C(/O)c1ccc(-c2cccc(C(F)(F)F)c2)o1)c1nc(-c2ccc(F)cc2)cs1 100989938 NLIRHBVJYRQKBV-FXBPSFAMSA-N 456.420 7.178 50 10 JKGE CCc1ccc(N2C(=O)[C@@H](Cc3ccc(F)cc3)S/C2=C(/C#N)C(=O)Nc2cccc(C)c2)cc1 101245394 DWNBDACSHCVQJM-IEQIIXMPSA-N 485.584 5.762 50 10 JKGE CCc1ccc(N2C(=O)[C@H](Cc3cccc(C)c3)S/C2=C(/C#N)C(=O)Nc2ccc(C)cc2)cc1 101245892 OGCKRTKKSUFPJK-HFVAWESISA-N 481.621 5.931 50 10 JKGE CCCCC1CCC([C@@H](Br)c2cc(Br)ccc2Br)CC1 109844792 NIHOMBAUNDUJNX-QWQCLYJRSA-N 467.083 7.644 50 10 JKGE CCCC[C@@H](CC)CC(CBr)(CBr)c1cccc(Br)c1 118878690 HYHNHUMCIOWJDQ-CQSZACIVSA-N 469.099 7.083 50 10 JKGE CCOc1cc(Cl)c([C@H](Br)c2cccc(I)c2)cc1Cl 164577090 UUTLKQCXJRZBIY-OAHLLOKOSA-N 485.974 6.481 50 10 JKGE O=C(CCCCCCCCCCN1C(=O)c2ccccc2C1=O)Nc1nc(CCl)cs1 170535206 AMNRXXLRZUSNIR-UHFFFAOYSA-N 462.015 5.628 50 10 JKGE CC(C)(C)c1ccc(OCCCC(=O)Oc2ccc(/C=C(/C#N)C(=O)NCc3ccco3)cc2)cc1 206740121 HMNDOWIKSGPHLG-PYCFMQQDSA-N 486.568 5.565 50 10 JKGE CCCCNC(=O)/C(C#N)=C\c1ccc(OC(=O)/C=C/c2ccc(OCCCC)cc2)c(OC)c1 207122110 UAHLAOFLWXLUIB-DLDXWAFKSA-N 476.573 5.316 50 10 JKGE BrCc1ccc(Br)cc1Oc1ccc(Br)cc1Br 218320689 JJDKNBXATVRYCP-UHFFFAOYSA-N 499.822 6.661 50 10 JKGE CCCOc1ccc([C@@H](Br)c2ccc(Cl)cc2Cl)cc1Br 229009599 BYCPYCVGCHIXDF-MRXNPFEDSA-N 453.001 7.029 50 10 JKGE O=C(NCC1(CBr)CCCCC1)c1ccc(I)c(Cl)c1 232349669 GQMAWNXHOUNATK-UHFFFAOYSA-N 470.576 5.020 50 10 JKGE COc1ccc([C@H](Br)c2ccc(Br)cc2Br)cc1OC 234996149 MLEGCXLXAOVSEF-HNNXBMFYSA-N 464.979 5.713 50 10 JKGE CCCCCCCCCCCCCC(=O)NN=Cc1ccc(OC(=O)c2ccc(OC)cc2)cc1 254331316 XXLIDRMCSRMMJV-UHFFFAOYSA-N 480.649 7.066 50 10 JKGE CCc1ccc(OCC(=O)NN=Cc2c(OC(=O)c3ccc(OC)cc3)ccc3ccccc23)cc1 254680293 YTEHMMXSOJECHX-UHFFFAOYSA-N 482.536 5.159 50 10 JKGE Brc1cc2c(cc1[C@@H](Br)c1ccccc1I)CCO2 308435359 LYVHJFDHTVXNTQ-HNNXBMFYSA-N 493.964 5.473 50 10 JKGE C[C@H]1C[C@H](n2c(CCl)nc3cc(Br)c(F)cc32)CCN1Cc1ccccc1 379602106 CQIIFZSEHGBNKU-GOEBONIOSA-N 450.783 5.902 50 10 JKGE Brc1ccc([C@@H]2CN(Cc3ccccc3)C[C@@H]2CI)s1 382732630 VICYAFXTHMNVDW-UONOGXRCSA-N 462.194 5.161 50 10 JKGE Clc1cc([C@@H](Br)c2cccc(OCc3ccccc3)c2)sc1Br 393940098 VILWYQOQNVZAQN-KRWDZBQOSA-N 472.629 7.227 50 10 JKGE ClCc1cc(Br)c(OCc2coc(Br)c2)c(Br)c1 394126798 KKJBNHADBWGRFS-UHFFFAOYSA-N 459.359 5.885 50 10 JKGE C[C@H](Cl)c1nc2cc(I)ccc2n1[C@@H]1CCN(Cc2ccccc2)C[C@@H]1C 397952748 MAMBAMLKOXYKSK-TWOQFEAHSA-N 493.820 6.024 50 10 JKGE CC(C)[C@H](CN(C)Cc1ccccc1)n1c([C@@H](C)Cl)nc2cc(I)ccc21 397955088 BCCLJRXDOKPLAG-IERDGZPVSA-N 495.836 6.270 50 10 JKGE C[C@@H]1[C@@H](C)N(Cc2ccccc2)[C@H](C)CN1c1ccc(CBr)cc1Br 404274016 MNQLURAHGZOEFJ-BRWVUGGUSA-N 466.261 5.832 50 10 JKGE N#CSc1ccc(NC(=O)Nc2cccc(C(=O)Nc3ccc(C(F)(F)F)cc3)c2)cc1 586732666 MTQHXFQLIJWTMG-UHFFFAOYSA-N 456.449 6.175 50 10 JKGE CC(C)(C)OC(=O)NCCN1CCOC[C@H](c2ccccc2CCO[Si](C)(C)C(C)(C)C)C1 616595017 QVGIGDREZVAJMR-JOCHJYFZSA-N 478.750 5.191 50 10 JKGE Brc1sccc1[C@H](Br)c1cc(I)cc2c1OCC2 698549058 CVVHWSGHVSLLTA-NSHDSACASA-N 499.993 5.534 50 10 JKGE CC1(C)[C@@H](OCc2ccccc2)C[C@H]1n1c(CCl)nc2ccc(F)c(Br)c21 718080739 RYOMIRROKNZOAZ-SJORKVTESA-N 451.767 6.233 50 10 JKGE Cc1cccnc1C[C@H](Br)c1ccc(I)c(Br)c1 721575754 BYMWBQLDIMDQTG-NSHDSACASA-N 480.969 5.436 50 10 JKGE Cc1sc([C@@H](Br)c2ccccc2I)c(C)c1Br 724915196 OPASJOWKCJMVTD-LBPRGKRZSA-N 486.010 6.216 50 10 JKGE Cc1sc([C@@H](Br)c2c(F)cc(Br)cc2F)c(C)c1Br 724916223 UYFZAVWBCSYUSX-LBPRGKRZSA-N 474.990 6.652 50 10 JKGE CCC(CC)CNC(=O)[C@H](c1cccs1)N(C(=O)CCl)c1cccc(C(F)(F)F)c1 725238788 XFERQOMWONUWOY-IBGZPJMESA-N 460.949 5.632 50 10 JKGE CCOc1ccc([C@@H](O)CCC(=O)NN=Cc2c(C)n(Cc3ccccc3)c3ccccc23)cc1 1083934041 DZOSKJAMWASVPA-NDEPHWFRSA-N 469.585 5.361 50 10 JKGE COc1cccc(NC(=O)/C(C#N)=C\c2cc(Br)ccc2OCc2ccccc2)c1 1084131894 DTLBLHWEJUNMGQ-UNOMPAQXSA-N 463.331 5.582 50 10 JKGE O=C(Nc1ccccc1C(=O)NN=C1c2ccccc2-c2nc3ccccc3nc21)c1cccs1 1084324279 IEPHSXTYISTZLI-UHFFFAOYSA-N 475.533 5.106 50 10 JKGE Cc1cccc(C)c1NC(=O)CSc1ccc(C=NNC(=O)c2cccc(Br)c2)o1 1084335720 FGRRBPUUTZLMSQ-UHFFFAOYSA-N 486.391 5.154 50 10 JKGE Cc1cc(C=NNC(=O)Cc2cccc(C(F)(F)F)c2)c(C)n1-c1ccc(C(C)(C)C)cc1 1084522541 QDVYZNPBPZTKII-UHFFFAOYSA-N 455.524 6.103 50 10 JKGE Cc1c(Cl)cccc1NC(=O)CCCCCCCC[C@@H](Br)CC(F)(F)Cl 1614015193 PCNNHJPYBAEKOM-OAHLLOKOSA-N 473.229 7.693 50 10 JKGE CC(C)Cc1ccc([C@H]2CN(C(=O)OCc3ccccc3)C[C@@H]2CI)cc1 1614629642 UIGHQDVYTLUWCJ-FCHUYYIVSA-N 477.386 5.672 50 10 JKGE Cc1c(C(=O)Oc2ccc3ccccc3c2)oc2c1C(=NNC(=O)c1cccc([N+](=O)[O-])c1)CCC2 1772746312 UNBFKYZRRCYBTM-UHFFFAOYSA-N 483.480 5.339 50 10 JKGE N#CSc1ccc(NC(=O)C2CCN(C(=O)c3ccc(OCc4ccccc4)cc3)CC2)cc1 1860599649 GQJVGTOQMCTUJH-UHFFFAOYSA-N 471.582 5.330 50 10 JKGE N#CC1=C(N)Oc2c(c(C(F)(F)F)nn2Cc2ccccc2F)[C@H]1c1cccc2ccccc12 1865682396 NQKGYVKJCXFRSB-FQEVSTJZSA-N 464.422 5.461 50 10 JKGE N#CC1=C(N)Oc2c(c(C(F)(F)F)nn2-c2ccc(Cl)cc2)[C@H]1c1cccc(Cl)c1 1865683368 KDBZFVWGIXOCJL-HNNXBMFYSA-N 451.235 5.416 50 10 JKGE CC(C)c1ccc([C@H]2C(C#N)=C(N)Oc3c2c(-c2ccccc2)nn3Cc2ccc(F)cc2)cc1 1865685077 DVZFZCPPQONZEX-VWLOTQADSA-N 464.544 6.079 50 10 JKGE CCOc1ccc([C@H]2C(C#N)=C(N)Oc3c2c(C(F)(F)F)nn3-c2ccc(C)cc2)cc1OCC 1865688878 DCMIFPWAYDTXEH-FQEVSTJZSA-N 484.478 5.215 50 10 JKGE CCOc1cccc([C@H]2C(C#N)=C(N)Oc3c2c(CC)nn3Cc2ccc(Cl)c(Cl)c2)c1 1865689930 GVACAHQHOQRQTB-NRFANRHFSA-N 469.372 5.417 50 10 JKGE CCCOc1ccc([C@H]2C(C#N)=C(N)Oc3c2c(-c2ccccc2)nn3Cc2ccccc2)cc1 1865694358 UGJPMZNNPMKMCU-VWLOTQADSA-N 462.553 5.605 50 10 JKGE COc1ccc(-c2nn(-c3ccccc3)c3c2[C@@H](c2ccc(F)cc2F)C(C#N)=C(N)O3)cc1 1865702701 ZUGNXVQHDMGAFJ-QFIPXVFZSA-N 456.452 5.044 50 10 JKGE N#CC1=C(N)Oc2c(c(-c3ccccc3)nn2-c2ccc(Br)cc2)[C@H]1c1cccc(F)c1 1865710522 AOGZEJSVSKPSJY-NRFANRHFSA-N 487.332 5.659 50 10 JKGE COc1ccc(-n2nc(-c3ccccc3)c3c2OC(N)=C(C#N)[C@H]3c2ccc(C(F)(F)F)cc2)cc1 1865711120 QAOYLABYDMVWFU-JOCHJYFZSA-N 488.469 5.785 50 10 JKGE CCCc1nc(Nc2ccc(SC#N)cc2)cc(N2CCO[C@H](c3ccc(Cl)cc3)C2)n1 1868389238 UBMZMSDUFQSHTC-NRFANRHFSA-N 466.010 5.977 50 10 JKGE COC(=O)c1ccccc1N1C[C@@H](/C(O)=C(\C#N)c2nc(-c3ccc4c(c3)CCCC4)cs2)CC1=O 1872745045 AICWANMKDNHEAS-QXUWJFDOSA-N 499.592 5.321 50 10 JKGE CCCCc1ccc(-c2csc(/C(C#N)=C(\O)c3cc([N+](=O)[O-])cc([N+](=O)[O-])c3C)n2)cc1 1872745076 VIMPJMGWIDRHGC-QOCHGBHMSA-N 464.503 6.227 50 10 JKGE COc1cc(-c2csc(/C(C#N)=C(\O)CCc3ccc(Cl)cc3)n2)c(OC)cc1Cl 1872756597 RDBLQWKFIPGNEJ-MNDPQUGUSA-N 461.370 6.560 50 10 JKGE N#C/C(=C(/O)CCCN1C(=O)c2ccccc2C1=O)c1nc(-c2ccc(Cl)s2)cs1 1872758154 NJHIXJDTEXUXJC-PEZBUJJGSA-N 455.948 5.394 50 10 JKGE COc1ccc(-c2csc(/C(C#N)=C/c3ccccc3OCc3ccccc3Cl)n2)cc1OC 1872781361 AUAOTHJHYYDDRT-FYJGNVAPSA-N 488.996 7.124 50 10 JKGE N#C/C(=C\c1ccc(OCc2ccccc2Cl)cc1)c1nc(-c2cc(Cl)ccc2Cl)cs1 1872794926 DTKZDSYRTNEHFS-WOJGMQOQSA-N 497.834 8.413 50 10 JKGE CC(C)C[C@H](NC(=O)OC(C)(C)C)C(=O)N/N=C/c1cccc(OCc2ccc(Cl)cc2)c1 1873795125 SLGAQRIUPDNWPJ-QYJQOTDOSA-N 474.001 5.309 50 10 JKGE Brc1cc([C@@H](Br)C2CC3(CCCCC3)C2)c(Br)s1 1912559637 VJHFUMCZOYPQJN-LBPRGKRZSA-N 457.069 7.070 50 10 JKGE C[C@@H]1C[C@H](n2c(CCl)nc3c(Br)cc(F)cc32)CCN1Cc1ccccc1 1912674853 UFRKAKSKISXMNS-RHSMWYFYSA-N 450.783 5.902 50 10 JKGE CC(C)[C@H](CBr)N(Cc1ccccc1)S(=O)(=O)c1cc(Br)cs1 1915292047 VEAXOXCTXOPQDS-HNNXBMFYSA-N 481.275 5.121 50 10 JKGE Cc1cccc(Br)c1C(=O)N(Cc1ccccc1)[C@H](CBr)C(C)C 1915294055 UKECBBRDSPZJIC-GOSISDBHSA-N 453.218 5.819 50 10 JKGE O=C(c1ccc(Br)cc1Cl)N(Cc1ccccc1)[C@@H](CBr)C1CC1 1915315308 VJFITXJSSVYGAI-SFHVURJKSA-N 471.620 5.918 50 10 JKGE CN(C[C@H](Br)COCc1ccccc1)C(=O)c1ccc(Cl)cc1Br 1916384022 VEEMCHKZRBDNIS-AWEZNQCLSA-N 475.608 5.155 50 10 JKGE Cc1c(Br)sc([C@H](Br)[C@]2(C)CC[C@H](C)C2(C)C)c1Br 1922907881 ZCSPCUSPFKUWMX-LFSCMUJPSA-N 473.112 7.480 50 10 JKGE CCO[C@@H]1C[C@H]1[C@H](Br)c1c(Br)sc(Br)c1Cl 1923050598 XICDJZGNWUPADX-XAHCXIQSSA-N 453.421 5.788 50 10 JKGE Cl[C@@H](CC1CCCCC1)c1c(Br)sc(Br)c1Br 1924583870 QCNFSIUDJYDYHW-QMMMGPOBSA-N 465.476 7.286 50 10 JKGE Clc1cc(Br)c([C@H](Cl)c2csc(I)c2)s1 1933587269 JLKBURUCNUJNRN-MRVPVSSYSA-N 453.979 6.158 50 10 JKGE Cc1cc([C@@H](Cl)c2cc(Br)sc2Br)c(Br)s1 1939962593 OQMIRFRSYNYXLJ-MRVPVSSYSA-N 465.457 6.734 50 10 JKGE CN[C@@H](c1c(Br)sc(Br)c1Cl)[C@H]1C[C@H](Br)C1 1991429490 KEGXLLZZINAONJ-OKMMGKLZSA-N 452.437 5.361 50 10 JKGE N[C@H](c1c(Br)c(Br)cc(Br)c1Br)[C@H]1C[C@@H]1Cl 1995046710 IGARJQMDOIHGHY-GRZGVKPESA-N 497.250 5.364 50 10 JKGE Fc1cc(Cl)c(Br)cc1[C@@H](Cl)c1cc(I)sn1 2007648486 WEDHCFHOEJWRSQ-SNVBAGLBSA-N 466.928 5.631 50 10 JKGE Brc1cc([C@@H](Br)c2cccc(C3CC3)c2)sc1Br 2036359047 WPKXWVCZUCTFSR-ZDUSSCGKSA-N 451.021 6.635 50 10 JKGE Cc1c(Br)sc([C@H](Br)[C@]2(C)C[C@@H]2C(F)(F)F)c1Br 2039184754 DYLOXKQJBVQGSZ-BUMCKTDNSA-N 470.974 6.606 50 10 JKGE FC(F)([C@@H](Cl)c1c(Br)sc(Br)c1Br)[C@@H]1CCOC1 2065535541 HSMPLXWMNQAAKV-FBCQKBJTSA-N 489.401 5.987 50 10 JKGE Brc1cc(Br)c([C@H](Br)[C@H]2C[C@H]2C2CCCCC2)s1 2079392488 KSTBGZROYAXRSL-OUJBWJOFSA-N 457.069 6.926 50 10 JKGE Cc1cc(Br)c(C)c([C@H](Br)[C@@H](C)C(F)(F)F)c1Br 2081070509 JVKBJWXTKZBWAT-RDDDGLTNSA-N 452.934 6.463 50 10 JKGE Cc1c(Br)ccc([C@H](Br)c2ccc(Cl)cc2)c1Br 2083336721 CTJUVGOPZSAXBP-CQSZACIVSA-N 453.399 6.658 50 10 JKGE Fc1cc([C@H](Br)c2csc(Br)c2Br)c(F)c(F)c1F 2093947613 AAOPTHGRTNDOJH-LURJTMIESA-N 482.916 6.314 50 10 JKGE ClCc1nc2cc(Br)c(Cl)cc2n1C1[C@@H]2CN(Cc3ccccc3)C[C@@H]12 2103622222 NDZWVYDVTATGAC-ZIAGYGMSSA-N 451.195 5.494 50 10 JKGE FC1(F)[C@H]2CC(CBr)(Cc3cc(Cl)ccc3I)C[C@@H]21 2107644901 JJMXVBXWDGRFBM-QWRGUYRKSA-N 461.515 5.544 50 10 JKGE Clc1sc(Br)c(Cl)c1[C@@H](Br)c1ccc2sncc2c1 2120657195 MTNOWHFWAJMTCK-VIFPVBQESA-N 458.027 6.911 50 10 JKGE Cc1cc(Br)c(C)c([C@H](Br)[C@H]2CCCOCC2)c1Br 2136370800 PWWSZZIERYSJPS-XHDPSFHLSA-N 455.028 6.081 50 10 JKGE COc1c(Br)cc(C)cc1[C@H](Br)c1ccc(I)cc1 2138999465 FBKQDXCTRXNHEC-CQSZACIVSA-N 495.980 5.855 50 10 JKGE COc1ccc([C@H](Br)c2cc(C)cc(Br)c2F)c(Br)c1 2145600233 JFXMINCXEHACDN-AWEZNQCLSA-N 466.970 6.152 50 10 JKGE O=C(NC1(CCBr)CCCCC1)c1c(Br)cccc1Br 2150495014 UQPFXDFJWAQQSE-UHFFFAOYSA-N 468.027 5.429 50 10 JKGE BrCc1c(Br)cccc1N1CCC[C@]2(CN(Cc3ccccc3)CCO2)C1 2151740043 PSKZLRWWJFYWRG-QFIPXVFZSA-N 494.271 5.215 50 10 JKGE COc1cc(Br)ccc1[C@@H](Br)c1cc(Br)c(Cl)cc1F 2154119518 DBPFAXOEVUVORV-CQSZACIVSA-N 487.388 6.497 50 10 JKGE C[C@@]1(C2CC2)CN(c2cc(Br)cc(F)c2CCl)CCN1Cc1ccccc1 2170696272 BAUQTIPFRMDVKP-QFIPXVFZSA-N 451.811 5.818 50 10 JKGE C[C@@H]1CN(C(=O)c2ccc(Br)cc2Br)CC[C@H]1CCBr 2172471101 BZZBSUZNYDSQRY-GHMZBOCLSA-N 468.027 5.095 50 10 JKGE CN(C(=O)c1cc(Br)cc(Br)c1)[C@@H]1CCCCC[C@@H]1Br 2172547518 OFVXEINERXTFSV-UONOGXRCSA-N 468.027 5.380 50 10 JKGE CCCCCc1ccc([C@H](Br)c2cc(I)ccc2F)s1 2197245654 BSVALUGGLLTIQP-MRXNPFEDSA-N 467.185 6.709 50 10 JKGE Cc1cc(Br)c(C)c([C@@H](Br)C2CC3(CCCO3)C2)c1Br 2201069300 VBGLEIRUGODUDR-AJQRCPHMSA-N 467.039 6.224 50 10 JKGE Fc1cc(Br)c([C@H](Cl)c2cc(Br)ccc2Cl)c(F)c1Cl 2201610946 LSAYNYAQDRRHSX-LLVKDONJSA-N 465.346 7.125 50 10 JKGE COc1c(C)cc(Br)cc1[C@@H](Br)c1cccc(Br)c1F 2206572874 XUTQNIRYVSUGTJ-ZDUSSCGKSA-N 466.970 6.152 50 10 JKGE COc1c(C)cc(Br)cc1[C@H](Cl)c1ccc(Br)cc1Br 2206585972 GXYUBQJLOFDIGF-CQSZACIVSA-N 483.425 6.619 50 10 JKGE Cc1ccccc1C[C@@H](CBr)Cc1ccc(I)c(Cl)c1 2208045870 SGHVUTVVDJIRCA-AWEZNQCLSA-N 463.584 6.049 50 10 JKGE Fc1cc(F)c([C@@H](Cl)c2sccc2I)c(F)c1Br 2220507018 LBSYDGMBMDZHLC-SECBINFHSA-N 467.475 5.861 50 10 JKGE Fc1cc(F)c(C[C@@H](Br)c2ccc(Br)cc2)c(Br)c1 2225597992 GLKAZYHPGKDIPW-GFCCVEGCSA-N 454.934 6.169 50 10 JKGE Fc1ccc(F)c([C@@H](Br)c2c(Br)cc(Cl)c(Cl)c2Cl)c1 2232522063 WTGPTMWISDARTM-LLVKDONJSA-N 465.346 7.172 50 10 JKGE Cc1cc(OCc2cc(Cl)ccc2I)ccc1CBr 2267780872 LMLBACRPXVDCAK-UHFFFAOYSA-N 451.529 5.727 50 10 JKGE Cc1cc(F)c(CBr)c(Oc2ccc(Br)cc2Br)c1 2268143048 AXRQVOXZAONEPZ-UHFFFAOYSA-N 452.943 6.346 50 10 JKGE COc1ccc([C@H](Br)c2cccc(Cl)c2C)cc1I 2269555692 JMKHZGUNHXJYNE-HNNXBMFYSA-N 451.529 5.746 50 10 JKGE C[C@@H]1CC[C@H](C[C@H](Br)c2c(F)cc(Br)c(F)c2Br)O1 2272724234 OBCOAUGQKDXRKX-PRJMDXOYSA-N 462.954 5.883 50 10 JKGE COc1c([C@@H](Br)Cc2cc(Br)cc(Br)c2)csc1Cl 2277953728 ARIYBHXRJWCQNZ-NSHDSACASA-N 489.454 6.614 50 10 JKGE Brc1cc(Br)cc(C[C@@H](Br)C[C@H]2CCC23CCC3)c1 2277966995 XKGUOECHUCQDAJ-CHWSQXEVSA-N 451.040 6.488 50 10 JKGE Cc1cc(Br)c([C@H](Br)c2ccc(Br)cc2F)c(C)c1F 2279146231 HRLRFEMJSFAWHR-CQSZACIVSA-N 468.961 6.591 50 10 JKGE Fc1cc(Br)c(F)c(Br)c1[C@H](Cl)c1cc2cscc2s1 2288361469 BYSYJJGLVVUHKH-GFCCVEGCSA-N 458.574 7.094 50 10 JKGE COc1ccc([C@H](Br)Cc2cc(Br)cc(Br)c2)c(F)c1 2295265161 NSOILCMXBXKWIA-CQSZACIVSA-N 466.970 6.038 50 10 JKGE C[C@@]1([C@@H](Br)c2cc(Br)ccc2OCc2ccccc2)COCCO1 2299498467 UAJBYCXEZVBCHE-OALUTQOASA-N 456.174 5.270 50 10 JKGE Brc1ccc(OCc2ccccc2)c([C@H](Br)[C@@H]2CC3(CC3)CO2)c1 2299535180 MAQWKXLVQVOVFV-OALUTQOASA-N 452.186 6.033 50 10 JKGE CSc1ccc([C@H](Br)c2sc(Cl)cc2I)cc1 2300954520 YYZLTOKZCZJFJT-NSHDSACASA-N 459.599 6.212 50 10 JKGE CCc1ccc(NC(=O)C(C#N)=Cc2cn(Cc3ccc(Cl)cc3Cl)c3ccccc23)cc1 2313670716 RFWTZDDTZOEKGB-UHFFFAOYSA-N 474.391 7.104 50 10 JKGE CO[C@@H]1CCC[C@@H]([C@@H](Br)c2cc(Br)ccc2OCc2ccccc2)C1 2314441503 ZHWACCGJBQBMDV-HGHGUNKESA-N 468.229 6.669 50 10 JKGE COc1ccc(C(C#N)=Cc2ccc(OC(=O)CCc3ccc(OC)c(OC)c3)c(OC)c2)cc1 2320506486 KSWZVBUXTAIXIT-UHFFFAOYSA-N 473.525 5.323 50 10 JKGE COc1ccc(OC)c(-c2csc(C(C#N)=C(O)C=Cc3ccc(OC(C)=O)c(OC)c3)n2)c1 2331325094 JFWMMVGAVQXLCA-UHFFFAOYSA-N 478.526 5.267 50 10 JKGE CCCCCCCOc1ccc(-c2csc(C(C#N)=C(O)c3ccc([N+](=O)[O-])c(C)c3)n2)cc1 2331346037 TWQSJQWCUDRELI-UHFFFAOYSA-N 477.586 7.326 50 10 JKGE CCCCc1ccc(N2C[C@@H](C(O)=C(C#N)c3nc(-c4ccc(F)c(F)c4)cs3)CC2=O)cc1 2331351952 OSVXXQIQXBKJOE-SFHVURJKSA-N 479.552 6.277 50 10 JKGE CCc1ccc(OCCCC(O)=C(C#N)c2nc(-c3cc(Cl)cc(Cl)c3OC)cs2)cc1 2331362777 PBMYQVORAKTXJS-UHFFFAOYSA-N 489.424 7.340 50 10 JKGE Cc1cc(C)c(C)c(-c2csc(C(C#N)=C(O)c3cccc(Oc4ccccc4)c3)n2)c1C 2331366485 YZJNIWHVLHQVSS-UHFFFAOYSA-N 452.579 7.786 50 10 JKGE COc1ccc(Cl)cc1N1C[C@@H](C(O)=C(C#N)c2nc(-c3ccc(Cl)s3)cs2)CC1=O 2331402169 VYJFZVXEPJANNJ-NSHDSACASA-N 492.409 6.033 50 10 JKGE CCOc1cc(C=C(C#N)c2nc(-c3ccc(OC)cc3)cs2)ccc1OCc1ccc(C)cc1 2331431366 WUWLEVWHTMBBOU-UHFFFAOYSA-N 482.605 7.169 50 10 JKGE Cc1c(Br)ccc([C@@H](Br)C[C@@H]2CCC[C@@H]3C[C@H]23)c1Br 2333146529 MFUKLLSXEWCDHY-MPXAEWJHSA-N 451.040 6.782 50 10 JKGE COc1cc([C@@H](Br)c2ccc(OCc3ccccc3)cc2Br)ccc1C 2336051228 QGCLZKKDQQPKQO-JOCHJYFZSA-N 476.208 6.829 50 10 JKGE COc1ccc([C@H](Cl)c2cc(Br)ccc2OCc2ccccc2)c(Br)c1 2336081709 UNGCGCWSOVFBEI-NRFANRHFSA-N 496.626 7.127 50 10 JKGE CC[C@](C)(C(F)F)[C@@H](Br)c1c(C)c(Br)cc(C)c1Br 2336598226 YVCSVZFTIVVESS-JSGCOSHPSA-N 462.998 6.946 50 10 JKGE Fc1c(Br)cc(Cl)c([C@H](Br)[C@H]2[C@@H]3CCCO[C@@H]32)c1Br 2337098389 QHBYUZXIINYLHZ-SNDIWBFVSA-N 477.393 5.865 50 10 JKGE Clc1ccc(C[C@]2(CBr)CCO[C@H]2C2CC2)cc1I 2337224920 FZBDFDBUYXDOCF-GJZGRUSLSA-N 455.561 5.067 50 10 JKGE CCCc1sc(Br)cc1[C@H](Br)c1ccc(F)cc1Br 2338019979 HNNAMIZJDACOQZ-CQSZACIVSA-N 471.027 6.849 50 10 JKGE COc1ccc([C@H](Cl)c2c(Br)c(Br)nn2C)c(Br)c1 2338722176 KIVHIBLWCQYLBN-JTQLQIEISA-N 473.390 5.044 50 10 JKGE Clc1cc(I)c([C@H](Br)[C@@H]2COc3ccccc3O2)s1 2338772123 DCGCFTFEFDHOOW-CMPLNLGQSA-N 471.541 5.282 50 10 JKGE Cc1cc(Br)c(F)c(Br)c1[C@H](Br)C1(C(C)(F)F)CC1 2339651635 QZJOTNPDBYAZJC-NSHDSACASA-N 464.945 6.531 50 10 JKGE Cc1cc(Br)c(F)c(Br)c1[C@@H](Br)CC(C)(C)C1CC1 2339677072 BEUNZPROSNXRPC-NSHDSACASA-N 457.019 6.921 50 10 JKGE CC(C)[C@@H](Br)C(C)(C)NC(=O)c1cccc(Br)c1Br 2340526275 UKPCBIBFYLWUEU-GFCCVEGCSA-N 456.016 5.140 50 10 JKGE CC1(C)C[C@H](Cl)C[C@@H](NCc2ccc(I)c(Br)c2)C1 2349826593 GYHGCRWPTYTNHI-VXGBXAGGSA-N 456.593 5.329 50 10 JKGE Cc1cc(Br)c([C@@H](Br)[C@@]23CCCC[C@@H]2CC3)c(C)c1Br 2359783489 ZTIFYUPPNSCWQK-CSMYWGQOSA-N 465.067 7.235 50 10 JKGE FC(F)Oc1cccc([C@H](Br)c2cc(Br)ccc2OCc2ccccc2)c1 2361178471 OGYWPLTVEBNFCO-FQEVSTJZSA-N 498.161 7.114 50 10 JKGE COc1c(Br)cc(C)c([C@@H](Br)[C@@H](C)CC(F)(F)F)c1Br 2365188744 NXBUBEDLUMNAGM-XVKPBYJWSA-N 482.960 6.553 50 10 JKGE COc1c(Br)cc(C)c([C@@H](Br)c2cc(C)c(C)o2)c1Br 2365214407 ABRKRRPOBWHBHI-ZDUSSCGKSA-N 466.995 6.223 50 10 JKGE COc1c(Br)cc(C)c([C@H](Br)[C@H](C)[C@H]2CCCO2)c1Br 2365233468 FULVGBWQIUQUGJ-IRUJWGPZSA-N 471.027 5.780 50 10 JKGE O=C(c1ccc(Cl)cc1I)N(CCBr)C1CCCCC1 2365587763 BDVVAXUTZJGFIB-UHFFFAOYSA-N 470.576 5.114 50 10 JKGE Cc1cc(Br)c([C@H](Br)[C@@H]2CC[C@@H]2C(C)(C)C)c(C)c1Br 2369221756 QXIFGIQNVGFLHS-BFQNTYOBSA-N 467.083 7.337 50 10 JKGE CCc1cc(Br)c(OC)c([C@@H](Br)c2c(Br)cnn2C)c1 2381249000 CHWWFTMSXOXQQO-GFCCVEGCSA-N 466.999 5.000 50 10 JKGE CC(C)(C)Oc1ccc([C@H](Br)c2occc2Br)cc1Br 2381299321 KTFRENHAFYUTQF-ZDUSSCGKSA-N 466.995 6.466 50 10 JKGE COc1cccc(C[C@H]2S/C(=C(\C#N)C(=O)Nc3ccccc3C)N(c3ccccc3C)C2=O)c1 2264384 IPMNLBLVAJQTIB-YKMWHWIESA-N 483.593 5.377 50 10 JKGE CSc1sc(C)cc1[C@H]1C(C#N)=C(N)N(c2ccccc2)C2=C1C(=O)C[C@H](c1ccccc1)C2 9981204 MKUBJQFGBRRBRS-CLOONOSVSA-N 483.662 6.477 50 10 JKGE N#C/C(=C/c1ccc(-c2cc(Cl)ccc2Cl)o1)C(=O)Nc1cc(C(F)(F)F)ccc1Cl 35351541 OIZZLHGPACYBOB-XFFZJAGNSA-N 485.676 7.471 50 10 JKGE N#C/C(=C/c1ccccc1OCC(=O)Nc1ccccc1)c1nc(-c2ccc(F)cc2)cs1 35519797 LLZUCSWFJQXCEM-ZHZULCJRSA-N 455.514 6.031 50 10 JKGE CCCCCN1C(=O)C(C#N)=C(C)/C(=C\c2cn(-c3ccccc3)nc2-c2cc3ccccc3o2)C1=O 38603834 USQMUXHJRVXIIP-LFVJCYFKSA-N 490.563 6.068 50 10 JKGE CCOc1cc(/C=C2/C(=O)N(Cc3ccccc3)C(=O)C(C#N)=C2C)ccc1OCc1ccccc1 38605983 PVRPVERDNQDLGG-PCLIKHOPSA-N 478.548 5.457 50 10 JKGE Cc1ccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4ccccc4Br)ccc32)cc1 38649160 JISBSDOKNZMDJR-JOCHJYFZSA-N 461.315 5.195 50 10 JKGE Cc1cc(OCC(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@@H]3c2ccc(Cl)cc2)ccc1Cl 38651383 YPVTVBOJRDTQDF-XMMPIXPASA-N 481.335 5.504 50 10 JKGE N#C/C(=C\c1ccc(-c2ccccc2Cl)o1)C(=O)Nc1cc(C(F)(F)F)cc(C(F)(F)F)c1 39884884 FTBSHNUUANOUBR-KPKJPENVSA-N 484.783 7.183 50 10 JKGE Cc1c(C(=O)Nc2cc(C(F)(F)F)ccc2Cl)oc2c1/C(=N/NC(=O)c1ccco1)CCC2 40814404 XYIFZSZYRLXKTC-CCVNUDIWSA-N 479.842 5.576 50 10 JKGE C=CCOc1ccc(-n2c(C)cc(/C=N\NC(=O)CC[C@@H](O)c3ccc(OCC)cc3)c2C)cc1 58894544 BSUZESADNSJAQR-OHYDGAEDSA-N 475.589 5.022 50 10 JKGE O=C(Cn1c(C(F)(F)F)nc2ccccc21)N/N=C/c1ccc(OCc2ccccc2Cl)cc1 59181321 YQHXPIZSOIUIFT-VFLNYLIXSA-N 486.881 5.438 50 10 JKGE C[C@@H]1CCCC[C@@H]1NC(=O)[C@@H](c1ccc(Cl)cc1)N(CCc1ccc(Cl)cc1)C(=O)CCl 97914228 BRVSRODHJWIGMN-OUPRXKBMSA-N 495.878 6.040 50 10 JKGE CCCCCCOc1ccc([C@@H](C(=O)NC2CCC(C)CC2)N(C(=O)CCl)C2CC2)cc1 97914767 SXDCHYGMTVSUOA-AJPKXHFHSA-N 463.062 5.612 50 10 JKGE c1ccc(C2=C(c3ccccc3)C2[P+](c2ccccc2)(c2ccccc2)c2ccccc2)cc1 100490847 HKNRHWXFSCUPAH-UHFFFAOYSA-N 453.545 6.974 50 10 JKGE O=C(N/N=C1\C(=O)N(Cc2ccccc2)c2ccccc21)c1cc(-c2cccs2)nc2ccccc12 105481113 OQPAMTQFGMVTIK-QVTSOHHYSA-N 488.572 5.644 50 10 JKGE Clc1ccc([C@@H](Br)c2cc(Br)ccc2Br)cc1Cl 109844954 BSYHBSCIQQNBQT-CYBMUJFWSA-N 473.817 7.003 50 10 JKGE FC(F)(F)c1ccc(Br)c([C@H](Br)c2ccc(Cl)c(Cl)c2)c1 159841056 ORRUWOOFTBSCNB-CYBMUJFWSA-N 462.918 7.259 50 10 JKGE Fc1cc([C@@H](Br)c2c(F)cccc2Br)c(F)cc1Br 161212075 GPROHPZBPRKIAX-CYBMUJFWSA-N 458.897 6.113 50 10 JKGE CCOc1cc(/C=N\NC(=O)c2ccc3[nH]c4c(c3c2)C[C@@H](C)CC4)cc(Cl)c1OCC 169891331 KIVNLHANQLWLSC-JIAMHWFNSA-N 453.970 5.507 50 10 JKGE COc1ccc(CCN/C=C(/C#N)C(=O)Nc2ccccc2Sc2ccccc2)cc1OC 217243375 LKTULIWAGADYJY-ZZEZOPTASA-N 459.571 5.033 50 10 JKGE CC(C)(C)[C@@H](CCBr)NC(=O)c1cc(Br)c(Br)s1 231161619 VYMATZDVAFVMIG-SECBINFHSA-N 462.045 5.203 50 10 JKGE Clc1cc([C@@H](Cl)c2cc(Cl)c(Br)s2)ccc1I 232344694 PMUQUMNAMGAUBA-SNVBAGLBSA-N 482.395 6.750 50 10 JKGE O=C(N[C@@H]1CCCCC[C@H]1Br)c1ccc(Br)cc1Br 232485882 BRPJRUZUWZTDJK-DGCLKSJQSA-N 454.000 5.038 50 10 JKGE COc1cc(Br)c([C@H](Br)c2cc(Cl)sc2Cl)cc1OC 234931069 BCPMMINQOMORGA-LBPRGKRZSA-N 461.002 6.319 50 10 JKGE CC(=NNC(=O)[C@@H]1C[C@H]1c1ccc(C(C)(C)C)cc1)c1cccc(NC(=O)c2ccccc2F)c1 252604111 FWPPNHQXHLKRAG-LOSJGSFVSA-N 471.576 6.019 50 10 JKGE Cc1cc(C(=O)NN=Cc2cc(Cl)cc(Cl)c2O)c2cc(Br)ccc2n1 254397870 JOLMQMRBSITJES-UHFFFAOYSA-N 453.123 5.082 50 10 JKGE O=C(NN=Cc1ccc2c3c(cccc13)CC2)c1ccc([C@H]2SCC(=O)N2Cc2ccccc2)cc1 263629344 WNNSGHSGDFDFKT-SSEXGKCCSA-N 491.616 5.477 50 10 JKGE CSc1ccc([C@@H]2CN(C(=O)OCc3ccccc3)C[C@H]2CI)cc1 382690245 MOXXLIZFHGNUEN-MJGOQNOKSA-N 467.372 5.196 50 10 JKGE Clc1ccc(C[C@@H](CBr)Cc2cc(Cl)ccc2I)cc1 405492615 AGNACOSCXRCVBK-GFCCVEGCSA-N 484.002 6.394 50 10 JKGE C[C@@H](Cl)c1nc2ccc(F)c(Br)c2n1CC(C)(C)N(C)Cc1ccccc1 714233844 VHZAEYHYWJLPFB-CQSZACIVSA-N 452.799 6.148 50 10 JKGE Fc1cc(Br)c(Cl)cc1[C@H](Br)c1csc(C(F)(F)F)c1 718730201 LVXMENRNXOCWSE-LLVKDONJSA-N 452.492 6.806 50 10 JKGE O=C(NN=Cc1ccc(Br)cc1)c1ccc2c(c1)CN(c1ccc(Br)cc1)C2 1083952426 LGFMRGMAXXSCDF-UHFFFAOYSA-N 499.206 5.496 50 10 JKGE O=C(NN=Cc1ccc(OCc2ccccc2)cc1)C(=O)Nc1ccc(Oc2ccccc2)cc1 1084238417 JOJHRYRIACPAHZ-UHFFFAOYSA-N 465.509 5.147 50 10 JKGE CCCCOc1ccc([C@H]2C(C#N)=C(N)Oc3c2c(CC)nn3-c2ccc(C)cc2)cc1OCC 1865686997 HCNMJAUGRAEVTP-VWLOTQADSA-N 472.589 5.539 50 10 JKGE CCCc1nn(Cc2c(F)cccc2Cl)c2c1[C@@H](c1c[nH]c3ccccc13)C(C#N)=C(N)O2 1865700622 ZHAMXMLRMFRXNU-JOCHJYFZSA-N 461.928 5.376 50 10 JKGE Cc1ccc([C@H](CC(=O)N[C@H](Cc2ccccc2)C(=O)Nc2ccc(SC#N)cc2)C2CC2)cc1C 1866721521 RVPCBFHZTJPYJP-VSGBNLITSA-N 497.664 6.127 50 10 JKGE N#CSc1ccc(Nc2cc(N3CC[C@@H](c4ccco4)C3)nc(-c3ccc(Cl)cc3)n2)cc1 1868433358 JLNFWIDTPHOSAG-GOSISDBHSA-N 473.989 6.701 50 10 JKGE Cc1oc2cc(OCc3ccc(CCl)cc3)ccc2c(=O)c1Oc1ccccc1Br 1871438372 WTOANGBCBJJNCK-UHFFFAOYSA-N 485.761 6.974 50 10 JKGE N#C/C(=C(/O)c1ccc2c(c1)C(=O)N(C1CCCCC1)C2=O)c1nc(-c2c[nH]c3ccccc23)cs1 1872752979 BZXZLNSLIKATJU-DAFNUICNSA-N 494.576 6.170 50 10 JKGE COc1ccc(-c2csc(/C(C#N)=C(\O)CCCN3C(=O)c4ccccc4C3=O)n2)c(C)c1C 1872753803 NJUPHTYMIXPPMX-XDOYNYLZSA-N 473.554 5.305 50 10 JKGE COc1ccc(-c2csc(/C(C#N)=C(\O)c3cccc(Oc4ccccc4)c3)n2)c(C)c1C 1872754494 VVPNDSFNNAKUOB-RWEWTDSWSA-N 454.551 7.178 50 10 JKGE CC(C)(C)c1ccc(/C=C/C(O)=C(\C#N)c2nc(-c3cc(Cl)ccc3Cl)cs2)cc1 1872758096 LASBYXZFKIQHFO-XLKIQOJESA-N 455.410 7.920 50 10 JKGE CCCCOc1ccc(/C=C(\C#N)c2nc(-c3cccc4ccccc34)cs2)cc1OCC 1872792424 YJRBOIUSVRYSFE-CJLVFECKSA-N 454.595 7.605 50 10 JKGE COc1c(C)cc(Cl)cc1-c1csc(/C(C#N)=C/c2cc3c(cc2[N+](=O)[O-])OCCO3)n1 1872793924 ARNVOYBRNHUCDJ-MKMNVTDBSA-N 469.906 5.524 50 10 JKGE C[C@H](c1ccccc1)N1C[C@H](/C(O)=C(\C#N)c2nc(-c3ccc(F)cc3F)cs2)CC1=O 1872818137 OEYZNUWJMBKBFN-YVPPRRECSA-N 451.498 5.491 50 10 JKGE C[C@@H](Br)CN(Cc1ccccc1)S(=O)(=O)c1ccc(Cl)c(C(F)(F)F)c1 1914655029 MXJSUVARRANINH-GFCCVEGCSA-N 470.738 5.333 50 10 JKGE CC[C@@H](CC(F)(F)F)[C@H](Br)c1sc(Br)cc1Br 1922896915 JIWMUURBEILNMT-XNCJUZBTSA-N 458.963 6.688 50 10 JKGE C[C@H](c1ccncc1Br)[C@H](Br)c1ccc(OCc2ccccc2)cc1 1924043425 LKCBVALCSZINOW-VFNWGFHPSA-N 461.197 6.663 50 10 JKGE C[C@H](c1ccncc1Br)[C@H](Cl)c1c(Br)cccc1Br 1924071437 XOUXTIBQWZAYGV-CLAHSXSESA-N 468.414 6.453 50 10 JKGE Cl[C@@H](c1c(Br)sc(Br)c1Br)[C@H]1CCCOC1 1924579156 ARXFDDRBZVHVMO-YLWLKBPMSA-N 453.421 5.742 50 10 JKGE C[C@@H]1C[C@@H]2C[C@@H]2C[C@@H]1[C@@H](Cl)c1c(Br)sc(Br)c1Br 1924613065 GAZQCBMHCHCUKW-NUOMMBHWSA-N 477.487 6.998 50 10 JKGE Clc1ccc([C@@H](Br)Cc2ncccc2Br)cc1Br 1924860325 FEIBSJCAYFMDBD-JTQLQIEISA-N 454.387 5.939 50 10 JKGE CO[C@H]1C[C@@H](C[C@@H](Cl)c2c(Br)sc(Br)c2Br)C1 2002403068 TYUNHLGLLGPUHH-DSYKOEDSSA-N 467.448 6.131 50 10 JKGE CCn1cc(Br)c([C@H](Br)c2sc(Cl)cc2Br)n1 2010561545 KPXYZJBDGOFXPO-QMMMGPOBSA-N 463.420 5.627 50 10 JKGE COc1sc([C@H](Br)c2cccc(F)c2Br)cc1Br 2034628096 BQUSBCZTWFYFCT-LLVKDONJSA-N 458.972 5.905 50 10 JKGE Cc1c(Cl)cc(C(=O)N(Cc2ccccc2)[C@H](CBr)C(C)C)cc1Br 2048498213 UHGJISBBSGGDOK-LJQANCHMSA-N 487.663 6.473 50 10 JKGE Cl[C@@H](c1c(Br)sc(Br)c1Br)[C@H]1CCCC12CCC2 2053379333 YRJQTHKWLDFCPV-GMSGAONNSA-N 477.487 7.286 50 10 JKGE Brc1cccc(Br)c1[C@H](Br)c1cc2sccc2s1 2084765767 YHMXLAVDBUHJDP-CYBMUJFWSA-N 467.045 6.972 50 10 JKGE COc1cc(F)c(Cl)cc1[C@H](Br)c1cc(I)sn1 2086229873 CJZYIUKACALFNF-NSHDSACASA-N 462.509 5.033 50 10 JKGE COc1cc(Br)c(C)cc1[C@@H](Cl)c1cc(Br)sc1Br 2089733616 WZGXLNGWYCGBGL-GFCCVEGCSA-N 489.454 6.681 50 10 JKGE Cc1csc([C@H](Br)c2cc(Cl)c(Cl)c(Cl)c2Cl)c1Br 2100809252 PZBWIJBSXPRWIZ-MRVPVSSYSA-N 483.867 7.917 50 10 JKGE BrC[C@@H]1C[C@@H]2CCC[C@@H]2N1Cc1ccc(Br)cc1Br 2108398819 HFQFDDMBRSGPFV-XEGUGMAKSA-N 452.028 5.350 50 10 JKGE BrC[C@@]12CCC[C@@H]1N(c1ncc(Br)cc1Br)CCC2 2108954962 YVQOPBWGFJNCBH-JSGCOSHPSA-N 453.016 5.141 50 10 JKGE Clc1ccc(Br)cc1C[C@H](CBr)c1cccc(Br)c1 2110523017 DIADJKDYNWKPKT-GFCCVEGCSA-N 467.426 6.586 50 10 JKGE O=C(N[C@@H](CBr)c1cccs1)c1cc(Br)cc(Br)c1 2119041554 ZQAQNNZRKWEORG-NSHDSACASA-N 468.008 5.139 50 10 JKGE CN(Cc1cc(Cl)ccc1I)[C@@H](CCBr)C(F)(F)F 2122007973 DMQFICXINODMPM-NSHDSACASA-N 470.498 5.092 50 10 JKGE COCc1ccccc1[C@H](Br)c1c(Br)sc(Br)c1Cl 2134735116 BQDQHDAXQVPSBV-JTQLQIEISA-N 489.454 6.557 50 10 JKGE Fc1cccc(C(CBr)(CBr)Cc2csc(Br)c2)c1 2139781268 UVQFNYAJSMOZPD-UHFFFAOYSA-N 471.027 5.920 50 10 JKGE Fc1cc2c(cc1Br)nc(CCl)n2[C@H]1CCOC[C@@H]1OCc1ccccc1 2146525430 VDDKGNNZHAGCTF-HKUYNNGSSA-N 453.739 5.224 50 10 JKGE Brc1cccc(C[C@H](Br)c2cc(Br)c3c(c2)CCO3)c1 2146630267 VRSAJTXGRFSAIR-AWEZNQCLSA-N 460.991 5.825 50 10 JKGE Brc1scc([C@@H](Br)Cc2cc3ccccc3cn2)c1Br 2151352246 HSQKPCOFEGYLPT-ZDUSSCGKSA-N 476.031 6.500 50 10 JKGE BrCc1ccc(Br)cc1N1CCC[C@@]2(CN(Cc3ccccc3)CCO2)C1 2151739191 MFWIUJSFCKZITI-JOCHJYFZSA-N 494.271 5.215 50 10 JKGE COc1cc(Br)c(C)cc1[C@@H](Br)c1nn(C)c(Br)c1C 2168219183 XZGLNFAISZXVMR-GFCCVEGCSA-N 466.999 5.055 50 10 JKGE Cc1cc(Br)c(C)c([C@H](Br)[C@@H]2C[C@@H]3CCCC[C@H]32)c1Br 2201065234 OMJXIILTCRZVIR-SFDCBXKLSA-N 465.067 7.091 50 10 JKGE Cc1c(Br)ccc([C@@H](Br)C2CC(OC(C)(C)C)C2)c1Br 2203683166 KJJAWDGFISTNRO-NWHVRFAMSA-N 469.055 6.550 50 10 JKGE CC[C@H](Br)Cc1sc(Br)c(Br)c1Br 2209348472 BJOMOVGFVZFLQM-BYPYZUCNSA-N 455.835 5.752 50 10 JKGE Cc1c(Br)csc1[C@@H](Br)c1c(Cl)sc(Cl)c1Cl 2213774995 OYXANZALKAZZGI-LURJTMIESA-N 455.451 7.325 50 10 JKGE CCCCCCCCCCO[C@@H]1CN(C(=O)OC(C)(C)C)C[C@@H]1I 2216921039 LCXWYWFKPYHVFX-DLBZAZTESA-N 453.405 5.567 50 10 JKGE Fc1cc(Br)c(Br)cc1[C@H](Cl)c1scc(Cl)c1Cl 2218604904 AXVCICIPTPMYLH-VIFPVBQESA-N 453.385 7.047 50 10 JKGE C[C@H](Cl)c1nc2c(Br)cccc2n1C[C@@H]1CC1(Br)Br 2224804970 LVWGJDZAVYPGBM-YUMQZZPRSA-N 471.418 5.605 50 10 JKGE Fc1ccc(C[C@H](Br)c2cc(Br)c(Br)cc2F)cc1 2225617386 TZUWWESJROGRNW-NSHDSACASA-N 454.934 6.169 50 10 JKGE Fc1cc(Br)c(Br)cc1[C@H](Br)C1C[C@@H]2CCC[C@H]2C1 2225618636 YZQGMCNNTPLKDY-KOSWAMCASA-N 455.003 6.613 50 10 JKGE CC(C)(C)OC(=O)N1CCC[C@](CBr)(OCCCC(F)(F)C(F)(F)F)C1 2231716855 HQEVCAJRHJFTRE-CQSZACIVSA-N 454.274 5.145 50 10 JKGE CC(C)C[C@@H](C(C)C)[C@@H](Br)c1c(Br)cc(Cl)c(Cl)c1Cl 2232519420 KOWZKHUWDDCCDU-TVQRCGJNSA-N 465.484 8.164 50 10 JKGE Fc1cc(Br)c(Br)cc1[C@@H](Br)Cc1c(F)cccc1Cl 2233977326 UKYVURDIQGTEDB-VIFPVBQESA-N 489.379 6.822 50 10 JKGE CC(C)[C@@H](CCl)N(Cc1ccccc1)C(=O)c1ccc(Cl)c(I)c1 2248260015 JTCCAXBFFVZUKA-GOSISDBHSA-N 476.185 5.850 50 10 JKGE FC(F)[C@@H]1CCC[C@@H]1[C@@H](Br)c1c(Br)sc(Br)c1Cl 2257870274 UKGUFRWXMQYTOA-HBPOCXIASA-N 487.429 7.044 50 10 JKGE Cc1cc(Cl)c(Cl)cc1[C@H](Br)c1ccc(Br)cc1Br 2264362738 ZEHYJFKUCBVHIV-CQSZACIVSA-N 487.844 7.311 50 10 JKGE CCc1cc([C@@H](Br)c2cc(F)c(Br)cc2F)sc1Br 2267867357 WTUGMVWENJTGPZ-LBPRGKRZSA-N 474.990 6.598 50 10 JKGE C=CC[C@@]1(CBr)CCN(Cc2ccc(I)c(Cl)c2)C1 2272137067 PLXCXKJJWUKAAQ-HNNXBMFYSA-N 454.577 5.108 50 10 JKGE CC(F)(F)[C@@H]1C[C@@H]1[C@@H](Br)c1c(F)cc(Br)c(F)c1Br 2272842779 QRMPWCDMXBSMSO-OBXARNEKSA-N 468.908 6.217 50 10 JKGE CC[C@@H](CC(C)C)[C@H](Br)c1c(F)cc(Br)c(F)c1Br 2272853946 MKLXEBVTGFCHAN-UFBFGSQYSA-N 462.998 6.998 50 10 JKGE Brc1cc(Br)cc(C[C@H](Br)[C@H]2C[C@@H]3CC[C@H](C2)O3)c1 2277954734 YPEPCBKSXOIFCK-HPEDKQMDSA-N 453.012 5.475 50 10 JKGE COCc1cc(Br)c([C@H](Br)c2cc(F)c(Br)cc2F)s1 2282136567 UDHQEBRUTCCLBJ-GFCCVEGCSA-N 490.989 6.182 50 10 JKGE C[C@@H](Br)CN(CCC(C)(C)C)Cc1ccc(Br)cc1Br 2288150755 ANZWOLMGUDVZFS-GFCCVEGCSA-N 470.087 6.233 50 10 JKGE CC(C)C[C@@H](C(C)C)[C@H](Br)c1c(F)cc(Br)c(F)c1Br 2288373863 NGEZCDVIAQQDBL-ZANVPECISA-N 477.025 7.244 50 10 JKGE Fc1cc(Br)c(F)c(Br)c1[C@H](Br)C12CCC(CC1)OC2 2288482651 DDMQZHRWLBPDDJ-OFBKNLNESA-N 474.965 5.885 50 10 JKGE CC1(C)CCC(C)(C)[C@H](Cc2ccc(Br)cc2Br)[C@@H]1Br 2290338504 VHIQLJSPJKGYJN-HIFRSBDPSA-N 467.083 6.980 50 10 JKGE N#CC(=Cc1cccc2ccccc12)C(=O)Nc1ncc(Cc2cccc(Cl)c2Cl)s1 2293038681 TWTOMMVXUJUADX-UHFFFAOYSA-N 464.377 6.740 50 10 JKGE COc1cc(C)c(Cl)cc1[C@H](Br)c1ccc(F)cc1I 2295299946 WSSJCLJQGXTAQS-OAHLLOKOSA-N 469.519 5.885 50 10 JKGE Cc1ccc(C[C@H]2SC(=C(C#N)C(=O)Nc3ccccn3)N(c3ccccc3)C2=O)cc1Cl 2296506762 DBXWYVGNEXQJFE-OAQYLSRUSA-N 474.973 5.108 50 10 JKGE COc1ccc(-c2nn(-c3ccccc3)cc2C=C(C#N)C(=O)Nc2ccccc2Cl)c(C)c1 2296720254 FWADFKCRJIIOHH-UHFFFAOYSA-N 468.944 6.055 50 10 JKGE Cc1ccc2nc(C(C#N)=Cc3cccc(Oc4ccc(C(F)(F)F)cc4[N+](=O)[O-])c3)[nH]c2c1 2296738381 NDQGOGICSBXTBV-UHFFFAOYSA-N 464.403 6.655 50 10 JKGE Cc1ccc(N2C(=O)[C@@H](Cc3ccccc3)SC2=C(C#N)C(=O)Nc2ccc(Cl)cc2)cc1 2296835065 UHILWYMWFDSVEH-HSZRJFAPSA-N 473.985 5.713 50 10 JKGE Cc1cc([C@@H](Br)c2cc(Br)ccc2OCc2ccccc2)c(C)o1 2299493198 KHRBTQAEAGCKGA-HXUWFJFHSA-N 450.170 6.722 50 10 JKGE Cc1c(CO[C@H]2CN(C(=O)OC(C)(C)C)C[C@H]2I)ccc(Cl)c1Cl 2301380587 YRUPWTLRZXLWEM-KGLIPLIRSA-N 486.177 5.241 50 10 JKGE Clc1ccc([C@@H](Br)c2cc(Cl)sc2Cl)c(I)c1 2301794444 NHACJIIEUWOZLV-SNVBAGLBSA-N 482.395 6.797 50 10 JKGE CCCOc1c(Br)cc(C=C(C#N)C(=O)Nc2cc(Cl)ccc2C)cc1OC 2313730352 SEBZGKHGJSCVIE-UHFFFAOYSA-N 463.759 5.754 50 10 JKGE Fc1cc(Cl)c(Br)c(Cl)c1[C@@H](Cl)c1cscc1Br 2313746961 ULARTVFKONNFAB-JTQLQIEISA-N 453.385 7.047 50 10 JKGE N#CC(=Cc1ccc(N2N=C(c3ccccc3)C[C@H]2c2ccccc2)cc1)C(=O)Nc1ccc(F)cc1 2314482737 UFZGDMYOMADBJD-PMERELPUSA-N 486.550 6.727 50 10 JKGE Cc1ccc(-c2csc(C(C#N)=Cc3cn(-c4ccccc4)nc3-c3cccc4ccccc34)n2)cc1 2314490299 WSJVJZMTBXIKEG-UHFFFAOYSA-N 494.623 8.189 50 10 JKGE N#CC(=Cc1ccc(-c2ccc(Cl)cc2)o1)c1nc(-c2ccc(Br)cc2)cs1 2314572177 VHTJDKCTYXSYCH-UHFFFAOYSA-N 467.775 7.550 50 10 JKGE CCCCOc1ccc(C=C(C#N)C(=O)Nc2cc(OC)c(NC(=O)c3ccccc3)cc2OC)cc1 2314737834 XTLYGVCMRYMVNU-UHFFFAOYSA-N 499.567 5.681 50 10 JKGE CCc1ccccc1CO[C@](C)(CI)CN(CC)C(=O)OC(C)(C)C 2316043971 NJBQSMPLBDXIFT-HXUWFJFHSA-N 461.384 5.216 50 10 JKGE CO[C@@H]1C[C@@H]([C@H](Br)c2sc(Cl)cc2I)C12CCC2 2316598065 ZLMOUARLPFTRPL-NMLBEHRDSA-N 461.590 5.647 50 10 JKGE ClCc1ccc(Oc2cc(Br)cc(I)c2)cc1Cl 2316759993 PILGKKGBTWZTEP-UHFFFAOYSA-N 457.920 6.238 50 10 JKGE BrC[C@@H](COCc1cc(I)ccc1Br)C1CCC1 2318983538 XYCCTTMAQAGRPA-LBPRGKRZSA-N 488.001 5.382 50 10 JKGE C[C@@H]1CC2CC([C@@H](Br)c3c(Br)sc(Br)c3Cl)(C2)O1 2319524746 ZRGCLBSRXZCIOJ-LTSRSOQQSA-N 479.459 6.320 50 10 JKGE CC(C)(C)OC(=O)N1CCC[C@H](C(=O)NN=Cc2cccc(OCc3ccccc3Cl)c2)C1 2321721462 LAYJOWYTSFBAOF-IBGZPJMESA-N 471.985 5.016 50 10 JKGE COc1c(Cl)cc(Cl)cc1-c1csc(C(C#N)=C(O)c2cccc(NC(C)=O)c2)n1 2331364246 XDHJCSGQUVKMMN-UHFFFAOYSA-N 460.342 6.034 50 10 JKGE CC(C)(C)c1ccc(C(=O)NCC(O)=C(C#N)c2nc(-c3cc(Cl)ccc3Cl)cs2)cc1 2331403780 FENWHHPEMFYLNF-UHFFFAOYSA-N 486.424 6.637 50 10 JKGE CC(C)(C)c1ccc(-c2csc(C(C#N)=Cc3ccc(OCc4ccc(Cl)cc4)cc3)n2)cc1 2331453331 FSHUQQFOEKAXRQ-UHFFFAOYSA-N 485.052 8.404 50 10 JKGE Cc1cc(C)c([C@H](Br)c2cc(Br)ccc2OCc2ccccc2)c(C)c1 2336046978 IPRKLGXPTOQCQG-HSZRJFAPSA-N 474.236 7.438 50 10 JKGE Cl[C@H](c1cc2c(s1)CCSC2)c1ccc(OCc2ccccc2)cc1Br 2336081811 VEXPXQCQRPRQKN-NRFANRHFSA-N 465.865 7.207 50 10 JKGE C[C@@H]1C[C@@H]1[C@@H]1C[C@H]1[C@@H](Br)c1c(Cl)cc(Br)c(F)c1Br 2337104863 RQHOUVSHYTUENT-MJNATDKSSA-N 475.421 6.732 50 10 JKGE CCCc1sc(Br)cc1[C@@H](Br)c1nn(C)c(Br)c1C 2338028480 WGURADGMXKHBQR-LLVKDONJSA-N 471.056 5.752 50 10 JKGE CC(C)(C)c1ccccc1[C@H](Br)c1sc(Cl)cc1I 2338774334 WYBJHRUEECONIO-ZDUSSCGKSA-N 469.613 6.788 50 10 JKGE ClCc1cc(OCc2ccc(Cl)cc2I)ncc1Br 2340095617 NHZKONUMOJIWHW-UHFFFAOYSA-N 472.935 5.420 50 10 JKGE Clc1ccccc1[C@H](CBr)OCc1cccc(I)c1 2341622894 JBAVTCPQLXNKHL-HNNXBMFYSA-N 451.529 5.597 50 10 JKGE Brc1cc([C@@H](Br)c2cc3c(cc2Br)OCCC3)cs1 2343579958 GWSBBMOGZBHGKQ-CQSZACIVSA-N 467.020 6.082 50 10 JKGE COc1ccc(OC)c([C@@H](Br)c2cc(Br)ccc2OCc2ccccc2)c1 2361179517 WOLUYVBAVUWBBO-QFIPXVFZSA-N 492.207 6.530 50 10 JKGE CC(C)(C)OC(=O)N1CCC[C@](CI)(OCc2ccc(F)cc2C2CC2)C1 2364651404 UTPYUCHOEODZRQ-OAQYLSRUSA-N 489.369 5.424 50 10 JKGE COc1c(Br)cc(C)c([C@H](Br)[C@@H]2CCC23CCC3)c1Br 2365182860 DPVQPSXBYRESRT-GXFFZTMASA-N 467.039 6.545 50 10 JKGE O=C(c1cc(Br)sc1Br)N1CCC[C@@H](Br)[C@H]1C(F)(F)F 2370243902 WAKNDKHGGYGYGC-SVRRBLITSA-N 499.972 5.204 50 10 JKGE Cc1ccc(CBr)c(OCc2ccc(Br)cc2Cl)c1Br 2380656819 OQKACMUQLCLWHW-UHFFFAOYSA-N 483.425 6.647 50 10 JKGE Cc1cc(Br)c(C(C)C)cc1[C@@H](Br)c1cc(Br)sc1C 2380945190 UJQXEQYQDUNEHD-MRXNPFEDSA-N 481.091 7.498 50 10 JKGE Cc1cc(Br)cc(Br)c1OCC(=O)N/N=C/c1ccc(Cl)cc1Cl 12483094 LYXBDOWIYNSBLM-QPSGOUHRSA-N 494.998 5.356 50 10 JKGE CCOc1ccc(/C=C/C(=O)Oc2cccc(/C=C(/C#N)c3ccc(Cl)cc3)c2)cc1OC 31903074 HWDAPRBDOFAMGQ-WYVXAZLOSA-N 459.929 6.430 50 10 JKGE N#C/C(=C/c1c(Cl)cccc1Cl)c1nc(-c2ccccc2)c(NC(=O)c2ccccc2)s1 33856283 GSHKPXFNFRDCPL-JXAWBTAJSA-N 476.388 7.433 50 10 JKGE COc1cccc(C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@@H]3c2ccc(Cl)cc2Cl)c1 38655150 MTKNLRCQPNNNGN-JOCHJYFZSA-N 467.308 5.439 50 10 JKGE N#CC1=C(N)Oc2cc(OC(=O)COc3ccccc3)ccc2[C@H]1c1ccc(Cl)cc1Cl 38655190 PGDXIFBWHMPCGI-HSZRJFAPSA-N 467.308 5.196 50 10 JKGE CC(C)c1ccc(O[C@@H](C)C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@@H]3c2cccs2)cc1 38656618 LDPYSHDTKCUHSR-UPCLLVRISA-N 460.555 5.463 50 10 JKGE Cc1cc(C)cc(OCC(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@H]3c2c(Cl)cccc2Cl)c1 38679887 QQOLSBAOBRHRLG-DEOSSOPVSA-N 495.362 5.813 50 10 JKGE CCCOc1cccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)COc4ccc(Cl)cc4)ccc32)c1 38684381 AWSJVKBGSIAYSV-SANMLTNESA-N 490.943 5.331 50 10 JKGE Cc1ccc(-c2csc(/C(C#N)=C/c3ccc4noc(-c5ccc(Cl)cc5)c4c3)n2)cc1 39885032 BRGXUXIUXGAAGV-UDWIEESQSA-N 453.954 7.644 50 10 JKGE Cc1cccc(NC(=O)c2oc3c(c2C)/C(=N/NC(=O)Cc2coc4c(C)c(C)ccc24)CCC3)c1C 40826608 DNBRTXJQCZGCPS-FEZSWGLMSA-N 497.595 6.220 50 10 JKGE CCCOc1ccc(/C=N/NC(=O)COc2cc(C)c(Cl)c(C)c2Br)cc1OC 40950743 QJJYALQCGWWZNR-BHGWPJFGSA-N 483.790 5.046 50 10 JKGE Cc1ccc(COc2c(Cl)cc(/C=N\NC(=O)CC[C@@H](O)c3ccccc3)cc2Cl)cc1 58889446 DVJZICZXKUUACF-PLIDZJGOSA-N 471.384 5.845 50 10 JKGE CCOc1cc(/C=C(/C#N)C(=O)Nc2cccc(Cl)c2)ccc1OC(=O)c1ccc(OC)cc1 59117106 UTNBZHHUXSKQIM-UYRXBGFRSA-N 476.916 5.512 50 10 JKGE CCOc1cc(/C=C(/C#N)C(=O)Nc2cccc(Cl)c2Cl)ccc1OC(=O)c1ccccc1 59117342 JSKLCMOYMXXXPI-AQTBWJFISA-N 481.335 6.157 50 10 JKGE Cc1cc(Br)ccc1-n1c(CCl)nc2cc(I)ccc21 97353792 URKXBACATWERCE-UHFFFAOYSA-N 461.528 5.440 50 10 JKGE CCC1(CC)[C@@H](Oc2c(Br)cc(Br)cc2Br)C[C@H]1Cl 97646523 LVHBNWWFMGBPHI-NEPJUHHUSA-N 475.446 6.539 50 10 JKGE N#C/C(=C/c1ccc(OCCOc2ccc(Br)cc2)cc1)C(=O)NCc1ccccc1 101396218 JRIDHCHDNXYWOF-PGMHBOJBSA-N 477.358 5.130 50 10 JKGE Cc1cccn2c(=O)c(/C=C(/C#N)C(=O)NCc3ccccc3)c(Oc3ccc(C(C)(C)C)cc3)nc12 102847682 BZJFWYJBCHQDTI-XLNRJJMWSA-N 492.579 5.316 50 10 JKGE COc1c(Br)cc(Cl)cc1[C@H](Cl)c1cccc(I)c1 109795225 NVOJFPNUAGAAOG-CYBMUJFWSA-N 471.947 6.044 50 10 JKGE Brc1ccc([C@@H](Br)c2cc3c(cc2Br)OCCCO3)s1 109865075 NXECIAYCYRBZAN-AWEZNQCLSA-N 483.019 5.919 50 10 JKGE Br[C@@H](c1ccc(-c2ccccc2)cc1)c1csc(I)c1 124407422 MHJDEZSNTJOHCI-KRWDZBQOSA-N 455.158 6.504 50 10 JKGE COc1ccc(C[C@H](Br)c2cc(Br)c(Br)s2)cc1 128198238 ZVJFZXQGAWRJRI-JTQLQIEISA-N 455.009 5.960 50 10 JKGE CC(C)CC1([C@@H](Br)c2cc(Br)c(Br)s2)CCCC1 128241078 BXUBSAIPNIWQJC-LBPRGKRZSA-N 459.085 7.316 50 10 JKGE Clc1cc([C@H](Cl)c2cc3c(cc2Br)OCCO3)ccc1Br 129141000 PGBRJYWGDOEZKF-HNNXBMFYSA-N 452.957 5.964 50 10 JKGE Brc1ccc(Br)c([C@@H](Br)Cc2ccc3ccccc3n2)c1 161326502 STSVGLUMIZLMPS-INIZCTEOSA-N 470.002 6.439 50 10 JKGE CCCCCCCCCOc1ccc(/C=N/NC(=O)c2ccc([N+](=O)[O-])cc2)cc1OCC 169879653 UPDRDGCLVMEVFO-LGUFXXKBSA-N 455.555 5.887 50 10 JKGE CCN(Cc1ccccc1)c1ccc(/C=C(/C#N)c2nc(-c3ccc(Cl)cc3)cs2)cc1 169939474 BEIGOOHZJORRMN-KQWNVCNZSA-N 456.014 7.554 50 10 JKGE CCCCCN1C(=O)C(C#N)=C(C)/C(=C/c2cn(-c3ccccc3)nc2-c2cc3ccccc3o2)C1=O 214234647 USQMUXHJRVXIIP-JLPGSUDCSA-N 490.563 6.068 50 10 JKGE COc1ccc([C@H](Br)c2cccc(Br)c2Cl)c(OC)c1Cl 224667782 DFHYRSJAABMUGU-GFCCVEGCSA-N 454.973 6.257 50 10 JKGE COc1cc(F)c(Br)cc1[C@@H](Br)c1cc(Br)ccc1Cl 234862260 KYAVRUVJHCUZIL-AWEZNQCLSA-N 487.388 6.497 50 10 JKGE Cl[C@@H](c1cc(Br)ccc1I)c1sccc1Br 236030981 CRVRBAUXGCQBCG-JTQLQIEISA-N 492.401 6.206 50 10 JKGE O=C(NN=Cc1ccc(-c2cc([N+](=O)[O-])ccc2Cl)o1)C(c1ccccc1)c1ccccc1 252628621 SULLVWIKYVBQOJ-UHFFFAOYSA-N 459.889 5.790 50 10 JKGE CCCCCN1C(=O)C(=NNC(=O)c2cc3c(C)nn(-c4ccccc4)c3s2)c2ccccc21 254391673 PZKUBKBDDRLNSF-UHFFFAOYSA-N 471.586 5.066 50 10 JKGE CC(C)C[C@H](C)CC(CBr)(CBr)c1ccc(Br)cc1 302414349 SWWSFAIOGCKDPO-ZDUSSCGKSA-N 455.072 6.549 50 10 JKGE FC(F)C(F)(F)COc1c(Br)cc(CBr)cc1Br 310811346 BEJJRFLWZQMXIX-UHFFFAOYSA-N 458.869 5.386 50 10 JKGE Brc1ccccc1[C@@H](Br)c1cc(I)cc2c1OCC2 311392023 QZIWPASCCQITQU-CQSZACIVSA-N 493.964 5.473 50 10 JKGE Clc1cccc(COc2c(Br)cc(Br)cc2CBr)c1 388893882 JQDRCMUSBGMMON-UHFFFAOYSA-N 469.398 6.339 50 10 JKGE Cc1oc(Br)cc1[C@H](Br)c1cc(Br)sc1Br 396684292 YNEBJRBXBMVVQA-VIFPVBQESA-N 493.840 6.421 50 10 JKGE C1=C/C(=C2\C=CC=C2P(c2ccccc2)c2ccccc2)C(P(C2=C[CH-][CH-]C=C2)c2ccccc2)=C1 575124053 LQCMQUZUFVGGOK-MVJHLKBCSA-N 496.530 7.993 50 10 JKGE CC(C)(C)OC(=O)NCCN1CCCOC[C@@H]1c1ccccc1CCO[Si](C)(C)C(C)(C)C 616645909 MCXSAVHURFBPGV-HSZRJFAPSA-N 478.750 5.539 50 10 JKGE Brc1cc2c(c([C@H](Br)c3sccc3Br)c1)OCCC2 688369255 BHQAKOQRIDMHAK-LBPRGKRZSA-N 467.020 6.082 50 10 JKGE Fc1ccc([C@H](Br)c2cccc(OCc3ccccc3)c2)c(F)c1Br 691515394 UMEDYKZIUGEDGK-GOSISDBHSA-N 468.135 6.791 50 10 JKGE CC1(C)CN(Cc2ccccc2)C[C@@H]1n1c(CCl)nc2cc(I)c(F)cc21 720702977 MTHNEZDYXUNOMW-IBGZPJMESA-N 497.783 5.602 50 10 JKGE O=C(c1scc(Br)c1Br)N1CC[C@H]2CC[C@@H](Br)[C@H]1C2 721521383 JMNFCLFCXQQHMO-NQMVMOMDSA-N 472.040 5.051 50 10 JKGE Clc1cc2c(c([C@H](Cl)c3ccc(I)c(Br)c3)c1)OCC2 721572663 MOMMHFQPVARFET-CQSZACIVSA-N 483.958 5.970 50 10 JKGE N#CCOc1ccc(/C=C(\C#N)C(=O)Nc2cccc(Cl)c2Cl)cc1Br 1084274032 VURQCMZQCUYCEE-XYOKQWHBSA-N 451.107 5.204 50 10 JKGE COc1ccc(OCc2ccc(C=NNC(=O)c3cccc(NC(=O)c4ccc(F)cc4)c3)o2)cc1 1084495532 DMHXOBTXNFZWHK-UHFFFAOYSA-N 487.487 5.023 50 10 JKGE COc1cc(C=NNC(=O)COc2ccc(C)cc2C(C)(C)C)ccc1OCc1ccccc1 1772752867 PMYFMBGAHAEVPX-UHFFFAOYSA-N 460.574 5.409 50 10 JKGE CCOc1cc(C=NNC(=O)CSc2nc(-c3ccc(Cl)cc3)cs2)ccc1OC 1772755170 RWRUJHRFLWOZEH-UHFFFAOYSA-N 461.996 5.113 50 10 JKGE N#CC1=C(N)Oc2c(c(C(F)(F)F)nn2Cc2ccccc2Cl)[C@@H]1c1ccc(Cl)c(Cl)c1 1865685098 FLBWNJWKJWEERG-MRXNPFEDSA-N 499.707 6.129 50 10 JKGE CCCc1nn(-c2ccc(C)cc2)c2c1[C@H](c1ccc(OCc3ccc(C)cc3)cc1)C(C#N)=C(N)O2 1865693094 LDJJPOBZLGPOPB-MUUNZHRXSA-N 490.607 6.239 50 10 JKGE CCCCCOc1ccc([C@@H]2C(C#N)=C(N)Oc3c2c(CC)nn3-c2ccc(OC)cc2)cc1OC 1865695844 ICPSBXPCQZTVNC-RUZDIDTESA-N 488.588 5.239 50 10 JKGE Cc1ccc(C)c(Cn2nc(C(F)(F)F)c3c2OC(N)=C(C#N)[C@H]3c2cn(C)c3ccccc23)c1 1865699344 RFFNQYXUNMQAQI-NRFANRHFSA-N 477.490 5.277 50 10 JKGE CCCc1nn(-c2ccc(Cl)cc2)c2c1[C@H](c1ccc(N(CC)CC)cc1)C(C#N)=C(N)O2 1865701940 IYSWMTOVYBPRLU-HSZRJFAPSA-N 461.997 5.543 50 10 JKGE COc1cccc([C@@H]2C(C#N)=C(N)Oc3c2c(-c2ccccc2)nn3-c2ccc(Br)cc2)c1 1865712284 UWSSULHCJIUCNX-JOCHJYFZSA-N 499.368 5.529 50 10 JKGE Cc1nc(-c2ccc(F)cc2)ccc1C(=O)NNC(=O)CC(c1ccccc1)c1ccccc1 1865759576 HOLJWNPQUJYCPU-UHFFFAOYSA-N 453.517 5.179 50 10 JKGE Cc1ccc([C@@H](CC(=O)N[C@H](Cc2ccccc2)C(=O)Nc2ccc(SC#N)cc2)C(C)C)cc1 1866732842 IFKVGICICYLFMY-RRPNLBNLSA-N 485.653 6.064 50 10 JKGE CSCC[C@H](NC(=O)C[C@@H](c1ccc(F)cc1)C(C)C)C(=O)Nc1ccc(SC#N)cc1 1866751752 BQASWDXKCBBTEH-YADHBBJMSA-N 473.639 5.405 50 10 JKGE N#C/C(=C\c1ccc(OCc2c(F)cccc2Cl)cc1)c1cc2c(cc1[N+](=O)[O-])OCCO2 1872728767 RXGVPNOLSYRMOD-MHWRWJLKSA-N 466.852 5.802 50 10 JKGE N#C/C(=C\c1ccc(N2N=C(c3ccccc3)C[C@@H]2c2ccccc2)cc1)c1ncccc1[N+](=O)[O-] 1872729112 OHZUWFROIPROHK-RCINHUAHSA-N 471.520 6.410 50 10 JKGE COc1ccc(/C=C/C(O)=C(\C#N)c2nc(-c3ccc(Cl)cc3Cl)cs2)cc1OC 1872745067 VBYMIJNRKXFJLB-QIQWVROHSA-N 459.354 6.640 50 10 JKGE N#C/C(=C(/O)c1ccc(N2CCCC2)c([N+](=O)[O-])c1)c1nc(-c2ccc3ccccc3c2)cs1 1872745070 AVFVNPWZXNCANK-DAFNUICNSA-N 468.538 6.422 50 10 JKGE CSCC[C@@H](/C(O)=C(\C#N)c1nc(-c2ccc(C)cc2)cs1)N1C(=O)c2ccccc2C1=O 1872749282 JSEDVDFKTLQCIS-NNWMPZTLSA-N 475.595 5.329 50 10 JKGE FC(F)[C@@H]1C[C@H]1[C@H](Br)c1c(Br)sc(Br)c1Cl 1894335844 BOEGHFAKORRVJB-KUCRYNDESA-N 459.375 6.264 50 10 JKGE C[C@@H]1C[C@H]1[C@H](Cl)c1c(Br)c(Br)cc(Br)c1Br 1898079306 ZUIMWYNZRULHSE-NWWTUURKSA-N 496.262 6.673 50 10 JKGE C[C@@H](Br)CN(Cc1ccccc1)C(=O)c1cc(Br)sc1Br 1914662711 ZJLXDHZARFPFCV-SNVBAGLBSA-N 496.062 5.699 50 10 JKGE C[C@@H](CCBr)N(Cc1ccccc1)C(=O)Cc1ccccc1I 1915109511 GWDUIXULZKFLIV-HNNXBMFYSA-N 486.191 5.036 50 10 JKGE CN(C[C@@H](Br)COCc1ccccc1)c1nc2cc(Br)ccc2o1 1916341488 GJYVCAOOAMWOEE-OAHLLOKOSA-N 454.162 5.007 50 10 JKGE Cc1cc([C@@H](Br)c2scc(C(F)(F)F)c2Br)oc1Br 1917607011 VXDREMCOCZNXAI-MRVPVSSYSA-N 482.941 6.678 50 10 JKGE CC[C@H](c1ccccc1)[C@@H](Br)c1sc(Br)c(C)c1Br 1922899750 DXBZOFDYWCJPGG-DGCLKSJQSA-N 467.064 7.211 50 10 JKGE Cc1nsc(Br)c1[C@H](Cl)c1sc(Br)cc1Br 1922907441 UHVCIKMPVZWFQK-ZETCQYMHSA-N 466.445 6.129 50 10 JKGE Cc1c(Br)sc([C@@H](Br)c2cscc2C(F)(F)F)c1Br 1922922194 ZATLFNGHLDKODV-QMMMGPOBSA-N 499.009 7.146 50 10 JKGE CC[C@H]1CC[C@H]([C@H](Br)c2sc(Br)c(C)c2Br)CC1 1922945366 FQEPYRVTHKAWJT-NHCYSSNCSA-N 459.085 7.234 50 10 JKGE COc1ccc(C)cc1[C@H](Br)c1c(Br)sc(Br)c1Cl 1923068550 TVEWMZHMNFMMEB-JTQLQIEISA-N 489.454 6.728 50 10 JKGE Clc1c(Br)sc(Br)c1[C@H](Br)[C@@H]1[C@H]2CCCC[C@H]21 1923073604 YIUQGTYVZPJRSZ-UTSKPXGSSA-N 463.460 6.799 50 10 JKGE C[C@@H]1O[C@H](C)[C@H]([C@@H](Cl)c2c(Br)sc(Br)c2Br)[C@@H]1C 1924590865 MIGJYHFWLMTHMR-BRJQOHQLSA-N 481.475 6.375 50 10 JKGE FC(F)(F)CCN(Cc1ccccc1)c1c(CBr)ccc(Br)c1Cl 1948741248 RVUSSWZJXXUOIB-UHFFFAOYSA-N 485.569 6.956 50 10 JKGE CCn1cc([C@H](Br)c2sc(Cl)cc2Br)nc1Br 1948825212 FLCPLVLELSEOEP-QMMMGPOBSA-N 463.420 5.627 50 10 JKGE COc1cc(C(=O)N(Cc2ccccc2)[C@H](C)CCBr)ccc1Br 2017222854 WVXNIMGHDRUAMC-CQSZACIVSA-N 455.190 5.274 50 10 JKGE COc1ccc(C=C(C#N)S(=O)(=O)c2ccc(Br)cc2)cc1OCc1ccccc1 2042447673 GVAPXBGHDBVBEL-UHFFFAOYSA-N 484.371 5.375 50 10 JKGE Cc1c(Br)sc([C@H](Br)[C@H]2C[C@@]2(C)C(F)(F)F)c1Br 2043570097 MMGXZSQQMHKOIN-VISXPRAWSA-N 470.974 6.606 50 10 JKGE COc1ccc([C@H](Br)c2sc(Br)cc2Br)c(Cl)c1 2047272803 UJWCEJIYNYFGES-NSHDSACASA-N 475.427 6.419 50 10 JKGE CCc1cc(Br)c([C@H](Br)c2nc(CC)sc2Br)s1 2050331675 PXBRZNWXXFNKKB-SECBINFHSA-N 474.081 6.339 50 10 JKGE Cc1c(Br)cc(CBr)cc1S(=O)(=O)N(Cc1ccccc1)CC1CC1 2059286150 ILYCHXHVROTZGP-UHFFFAOYSA-N 487.257 5.253 50 10 JKGE C[C@H](Br)[C@H](NCc1cc(Br)ccc1Br)C(F)(F)F 2074731153 JUYZZGXPVNVAOT-WKEGUHRASA-N 453.922 5.016 50 10 JKGE CCCN[C@@H](c1c(Br)sc(Br)c1Cl)C1CC(Br)C1 2076168031 ULCCSAFLDQZMNC-HNQUHTCLSA-N 480.491 6.141 50 10 JKGE CCCC[C@H](C)CC[C@H](Br)c1c(Br)sc(Br)c1Cl 2086055570 BKSOABMQRHICHC-IUCAKERBSA-N 481.519 7.969 50 10 JKGE CC1(C)[C@@H](Br)/C(=C\Br)c2cccc3c2N1C(=O)/C3=N\Nc1ccccc1 2087930107 AOTAILMKSUIMHL-SFALKDIWSA-N 475.184 5.141 50 10 JKGE CCC[C@@H]1CC[C@H](Br)[C@@H](Cc2ccc(Br)cc2Br)C1 2092268465 XOPPXQZOGGCIES-KYOSRNDESA-N 453.056 6.734 50 10 JKGE Brc1scc([C@@H](Br)c2ccc3c(c2)CCCO3)c1Br 2093942576 VPHDCGNRNGCFDY-LBPRGKRZSA-N 467.020 6.082 50 10 JKGE COc1ccc([C@@H](Br)c2c(Br)cccc2Br)c(Cl)c1 2094089963 BRXHOSHCSPIWJK-CQSZACIVSA-N 469.398 6.358 50 10 JKGE Cc1cc(Br)c(C)c([C@H](Br)[C@@H](C)CC(F)(F)F)c1Br 2136366571 JKPOSZRXOSKTHB-JVXZTZIISA-N 466.961 6.853 50 10 JKGE Cc1c(Br)ccc([C@H](Br)C(F)(F)[C@@H]2CCOC2)c1Br 2138849188 CVPYAQXMDKSWKD-PELKAZGASA-N 462.954 5.628 50 10 JKGE CC[C@@H](Br)[C@@H]1CCCCN1C(=O)c1ccc(I)c(Cl)c1 2170615236 RDZUSBWNXWJSSE-RISCZKNCSA-N 470.576 5.113 50 10 JKGE CC1(CO[C@@](C)(CI)c2ccccc2Br)CC(F)(F)C1 2192161075 UCINPKIHEYNILS-AWEZNQCLSA-N 459.112 5.551 50 10 JKGE CC1(C)CCC2(CC1)CC(OC1(CI)CCN(C(=O)OC(C)(C)C)CC1)C2 2193413909 WPMPNQBWGXHKNR-UHFFFAOYSA-N 491.454 5.957 50 10 JKGE Cc1ccc(C[C@@H](Br)c2ccc(Br)c(C)c2Br)cc1C 2203684985 IQUBPHVRQKGLLE-MRXNPFEDSA-N 461.035 6.816 50 10 JKGE ClCc1nc2c(Br)cccc2n1C[C@H]1CC1(Br)Br 2217992941 UFNIECCOEMJOLP-SSDOTTSWSA-N 457.391 5.044 50 10 JKGE Brc1cc(Br)c([C@@H](Br)[C@@H]2C[C@H]3CCC[C@H](C3)C2)s1 2218351340 ORFGEDMAOHKTGH-WTBMIXGQSA-N 457.069 6.926 50 10 JKGE Fc1ccc([C@H](Br)c2scc(Br)c2Br)c(F)c1F 2218845269 MNQRMMRROGVWFN-ZETCQYMHSA-N 464.926 6.175 50 10 JKGE CC1(C)CCC([C@H](Br)c2cc(Br)c(Br)cc2F)CC1 2225616499 OYHRQNOGLCUMJA-AWEZNQCLSA-N 457.019 7.003 50 10 JKGE Cc1cccc([C@H](Br)c2cc(Br)c(Br)cc2F)c1C 2225617915 WMKGPGUYIYSFPP-HNNXBMFYSA-N 450.971 6.452 50 10 JKGE C[C@]1(C(F)(F)F)C[C@H]1[C@@H](Br)c1cc(Br)c(Br)cc1F 2225619567 KNMVZYNLPAPRGJ-CYUDJLOBSA-N 468.908 6.375 50 10 JKGE Clc1ccc([C@@H](Br)c2c(Br)cc(Cl)c(Cl)c2Cl)cc1Cl 2232511455 KMMCTGNPPQGNPS-LLVKDONJSA-N 498.256 8.200 50 10 JKGE Fc1cc(Br)ccc1[C@@H](Br)c1ccc2c(c1Br)CCO2 2238082019 KMGHLDRABVXNCR-CQSZACIVSA-N 464.954 5.770 50 10 JKGE Clc1ccc([C@@H](Cl)Cc2cccc(Br)c2)cc1I 2256367349 UCKMVUMYPXRHLT-ZDUSSCGKSA-N 455.948 6.230 50 10 JKGE Clc1ccc(Oc2cc(I)ccc2Cl)c(CBr)c1 2259930892 XJHPGEHOSBHOIB-UHFFFAOYSA-N 457.920 6.285 50 10 JKGE Cc1cc([C@H](Br)Cc2cc(Br)cc(Br)c2)c(C)s1 2263449624 BHIGELMTCLADIA-CQSZACIVSA-N 453.037 6.569 50 10 JKGE Cc1csc([C@H](Br)Cc2cc(Br)cc(Br)c2)c1C 2263513436 NVQDHKQPWQFQNH-CYBMUJFWSA-N 453.037 6.569 50 10 JKGE C[C@@H](Br)CN(CCC(C)(C)C)c1ncc(Br)cc1Br 2272334540 GRNPYCHQCHSRLC-SNVBAGLBSA-N 457.048 5.633 50 10 JKGE Fc1cc(Br)c(F)c(Br)c1[C@H](Br)C1CC(C(F)F)C1 2272725103 XSUPGBGSQVDLEI-PACJAATDSA-N 468.908 6.217 50 10 JKGE Brc1cc(Br)cc(C[C@H](Br)CC[C@@H]2CCCCO2)c1 2277961107 PFWMUHCFVOOUMH-DOMZBBRYSA-N 455.028 5.867 50 10 JKGE COCC1([C@H](Br)c2c(F)cc(Br)c(F)c2Br)CCCC1 2288498440 GVEYRZHLZWYFLK-CYBMUJFWSA-N 476.981 6.133 50 10 JKGE N#CC(=Cc1ccc(OCc2ccc3ccccc3c2)cc1)C(=O)Nc1nnc(C(F)(F)F)s1 2295196035 MNTCFFWUUUFHLA-UHFFFAOYSA-N 480.471 5.835 50 10 JKGE CC1([C@@H](Br)Cc2cc(Br)cc(Br)c2)CC(C(F)(F)F)C1 2295332122 SAGNHAPEYIVENQ-YHECAPGISA-N 478.972 6.496 50 10 JKGE N#CC(C(=O)Nc1cccc(Cl)c1)=C1S[C@@H](Cc2ccc(F)cc2)C(=O)N1c1ccccc1 2296506694 ADQZLMNLUYGBHE-QFIPXVFZSA-N 477.948 5.544 50 10 JKGE Cc1ccc(C)c(NC(SCc2ccccc2F)=C(C#N)S(=O)(=O)c2ccccc2)c1 2297349983 JOBWFJQDBKKLLW-UHFFFAOYSA-N 452.576 5.954 50 10 JKGE N[C@H](c1c(Cl)cc(Br)c(F)c1Br)C1CC(Br)C1 2300182522 GUNCYNDKNGTRPW-UTNXVAPVSA-N 450.371 5.177 50 10 JKGE COc1cc(C=C(C#N)C(=O)Nc2cccc(Cl)c2Cl)ccc1OCc1cccc([N+](=O)[O-])c1 2313570796 GMXISYKCTSXPMF-UHFFFAOYSA-N 498.322 6.035 50 10 JKGE Cc1ccc(N2C(=O)[C@@H](Cc3ccc(F)cc3)SC2=C(C#N)C(=O)NCc2ccccc2)cc1C 2314593984 XALBWJIPMVLYHG-RUZDIDTESA-N 485.584 5.185 50 10 JKGE Cc1ccc(C[C@@H]2SC(=C(C#N)C(=O)NCc3ccccc3)N(c3ccc(C)c(C)c3)C2=O)cc1 2314594147 ZRNCRKNYDUNQKF-SANMLTNESA-N 481.621 5.355 50 10 JKGE CCOc1ccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)C=Cc4ccccc4)ccc32)cc1OCC 2314634381 KNQIQBUVXYZSNW-MUUNZHRXSA-N 482.536 5.321 50 10 JKGE CCCCCCOc1ccc(C=C(C#N)C(=O)Nc2cccc(C(=O)OCCOCC)c2)cc1OC 2314729082 UXZGQHZHCBEKOD-UHFFFAOYSA-N 494.588 5.393 50 10 JKGE COC[C@@H]1C[C@@H]1[C@H](Br)c1c(Cl)cc(Br)c(F)c1Br 2315463635 SPBAXEIJTINGED-VGIXGZPDSA-N 465.382 5.723 50 10 JKGE Cc1ccc(C[C@@H](Br)c2sc(Cl)cc2I)cc1C 2316599758 WAODSADSKXMEQV-LLVKDONJSA-N 455.586 6.302 50 10 JKGE Fc1cc(Cl)c([C@@H](Br)c2cc(Cl)c(Br)s2)c(Cl)c1 2318359027 NMZUNVKRMQAUMV-JTQLQIEISA-N 453.385 7.094 50 10 JKGE COc1ccccc1C(C#N)=Cc1cccc(OC(=O)CC(c2ccccc2)c2ccccc2)c1 2320511232 PTSQBGTZKKZUPI-UHFFFAOYSA-N 459.545 6.887 50 10 JKGE Cc1nc(-c2ccc(Cl)cc2)ccc1C(=O)NNC(=O)C=Cc1cccc(OCc2ccccc2)c1 2321059164 CQOYAVFEBDPEET-UHFFFAOYSA-N 497.982 5.764 50 10 JKGE CSc1ccc(Cl)cc1CC(=O)NN=Cc1ccc(OC(C)C)c(Br)c1 2323686596 SCYVEMPQHVPVTA-UHFFFAOYSA-N 455.805 5.304 50 10 JKGE COc1ccc(OC)c(C=C2Oc3c(ccc(OCc4ccc(CCl)cc4)c3C)C2=O)c1 2325339564 GOCOQODPGYNLQJ-UHFFFAOYSA-N 450.918 5.946 50 10 JKGE O=C(NN=C1C(=O)N(Cc2ccccc2Cl)c2ccccc21)c1ccccc1C(F)(F)F 2326843768 DTYRSHZACFRKKF-UHFFFAOYSA-N 457.839 5.040 50 10 JKGE CCOc1cc(C=C(C#N)c2cc3c(cc2[N+](=O)[O-])OCCO3)ccc1OCc1ccc(F)cc1 2331051433 QNQFJUXPCZRCFA-UHFFFAOYSA-N 476.460 5.547 50 10 JKGE N#CC(=C(O)[C@@H]1CC(=O)N(Cc2ccccc2)C1)c1nc(-c2ccc3c(c2)CCCC3)cs1 2331239884 OBGODYFQMPWMMW-JOCHJYFZSA-N 455.583 5.530 50 10 JKGE CCCCc1ccc(-c2csc(C(C#N)=C(O)C(=Cc3ccccc3)c3ccccc3)n2)cc1 2331255811 CJUJWJXDEJQMNA-UHFFFAOYSA-N 462.618 8.186 50 10 JKGE CCCCc1ccc(-c2csc(C(C#N)=C(O)c3cc(OC)c(OC)cc3[N+](=O)[O-])n2)cc1 2331256626 HVZRIRMCZJCSJL-UHFFFAOYSA-N 465.531 6.028 50 10 JKGE COc1cc(C(O)=C(C#N)c2nc(-c3cccc(Br)c3)cs2)c([N+](=O)[O-])cc1OC 2331279203 VVCFLDAIEAKLKK-UHFFFAOYSA-N 488.319 5.448 50 10 JKGE CC[C@@H](C)N1C(=O)c2ccc(C(O)=C(C#N)c3nc(-c4ccccc4OC)cs3)cc2C1=O 2331281996 RAGWMHRLMOAPFQ-CQSZACIVSA-N 459.527 5.163 50 10 JKGE CC[C@H](C)N1C(=O)c2ccc(C(O)=C(C#N)c3nc(-c4ccc(Cl)c(Cl)c4)cs3)cc2C1=O 2331311531 QZWGCVPHQFKHFY-LBPRGKRZSA-N 498.391 6.461 50 10 JKGE COc1cc(C)c(-c2csc(C(C#N)=C(O)Cc3cccc4ccccc34)n2)cc1C(C)C 2331352217 TWMZJKOLIGVRNR-UHFFFAOYSA-N 454.595 7.439 50 10 JKGE COc1cc(C=C(C#N)c2nc(-c3ccc(Cl)cc3)cs2)ccc1OCCN1CCOCC1 2331440215 PMGOGJGQBUDPEH-UHFFFAOYSA-N 482.005 5.247 50 10 JKGE CCCOc1ccc(-c2csc(C(C#N)=Cc3cccc(OC)c3OCc3cccc(C)c3)n2)cc1 2331445415 SWOLCAHZOIYFBX-UHFFFAOYSA-N 496.632 7.559 50 10 JKGE Cc1ccc(C)c(-c2csc(C(C#N)=Cc3c(OCc4ccccc4)ccc4ccccc34)n2)c1 2331445795 MYLSLHCMLDVOGL-UHFFFAOYSA-N 472.613 8.223 50 10 JKGE FC(F)c1cccc([C@@H](Br)c2cc(Br)ccc2OCc2ccccc2)c1 2336038153 KPLMIGPNECFVOJ-HXUWFJFHSA-N 482.162 7.450 50 10 JKGE Brc1ccc(OCc2ccccc2)c([C@H](Br)[C@H]2C[C@H]3CCC[C@H](C3)C2)c1 2336075298 OBOLNEKMYVBXAB-ISJRUSPKSA-N 478.268 7.681 50 10 JKGE FC(F)(F)[C@]12C[C@]([C@@H](Br)c3cc(Br)c(Br)s3)(CO1)C2 2338516117 JNUDPTAXJQIYMB-HGNGGELXSA-N 484.957 5.821 50 10 JKGE Cc1cc(F)c(Cl)cc1[C@@H](Br)c1ccc(Cl)cc1I 2340067018 XBPZXKCHQWWYRS-AWEZNQCLSA-N 473.938 6.530 50 10 JKGE Cc1cc(Cl)c([C@@H](Cl)c2sc(Br)c(C)c2Br)c(Cl)c1 2353088103 YOKQQOCVZRNBKT-LLVKDONJSA-N 463.449 7.525 50 10 JKGE CCCCC[C@H]1CC[C@H]([C@@H](Br)c2sc(Cl)cc2I)CC1 2363887749 MIJWUZDSTCWBTH-LALPHHSUSA-N 489.688 7.829 50 10 JKGE CCCN[C@@H](c1c(C)cc(Br)c(OC)c1Br)[C@@H]1C[C@@H]1Br 2365176308 OLJVZKKQZFQBPO-ISTVAULSSA-N 470.043 5.353 50 10 JKGE COc1c(Br)cc(C)c([C@H](Br)[C@H](C)[C@@H]2CCCO2)c1Br 2365233469 FULVGBWQIUQUGJ-SUZMYJTESA-N 471.027 5.780 50 10 JKGE CCCCc1ccc([C@@H](Br)c2ccc(Cl)cc2I)cc1 2365592805 PXPJYVYHXRFJCC-QGZVFWFLSA-N 463.584 6.772 50 10 JKGE O=[N+]([O-])c1sc(CBr)cc1OCc1cc(I)ccc1Cl 2380346354 MGXWZVBSWILBRL-UHFFFAOYSA-N 488.528 5.388 50 10 JKGE COc1ccc(/C(C#N)=C\c2ccc(OC(=O)/C=C/c3ccc(OC)c(OC)c3)c(OC)c2)cc1 31902308 BQNNVVZVXQBBDJ-LKEJKRFJSA-N 471.509 5.404 50 10 JKGE COc1cc(/C=C(\C#N)c2ccc(Cl)cc2)ccc1OC(=O)COc1ccc([N+](=O)[O-])c(C)c1 33376351 AUUVKYVGJKBHHW-XDHOZWIPSA-N 478.888 5.614 50 10 JKGE CCNC(=O)/C(C#N)=C/c1cn(-c2ccccc2)nc1-c1ccc(OCc2ccc(C)cc2)cc1 33378969 AQEULUFTXLNFJK-JJIBRWJFSA-N 462.553 5.470 50 10 JKGE Cc1ccc(NC(=O)/C(C#N)=C\c2cc(C)n(-c3ccc(NC4CCCC4)c([N+](=O)[O-])c3)c2C)c(C)c1 33524363 GAWJJLUMQHXDAO-HAHDFKILSA-N 497.599 6.519 50 10 JKGE Cc1cccc(NC(=O)/C(C#N)=C\c2ccc(N3N=C(c4ccccc4)C[C@@H]3c3ccccc3)cc2)c1 33568742 HFKWCVRRSKOJEH-MJCJZRFWSA-N 482.587 6.896 50 10 JKGE C=CCN1C(=O)C(C#N)=C(C)/C(=C\c2cn(-c3ccccc3)nc2-c2ccc(OC(C)C)cc2C)C1=O 38607680 OGNCUATYTZEZGL-WGOQTCKBSA-N 492.579 5.413 50 10 JKGE Cc1ccc2c(C)c(C(=O)Oc3ccc4c(c3)OC(N)=C(C#N)[C@@H]4c3cccc(Cl)c3)oc2c1C 38687725 ZZGDTDRSULPFAE-XMMPIXPASA-N 484.939 6.449 50 10 JKGE CCOc1ccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4oc5ccccc5c4C)ccc32)cc1OC 38688711 GXQASASJQIDVEA-AREMUKBSSA-N 496.519 5.586 50 10 JKGE Cc1ccc(C(=O)N/N=C2\CCCc3oc(C(=O)Nc4cc(Cl)cc(Cl)c4)c(C)c32)cc1 40804554 CGRXKZJLUYQGQV-TURZUDJPSA-N 470.356 5.926 50 10 JKGE COC(=O)c1c(NC(=O)/C(C#N)=C/c2ccc(C(C)C)cc2)sc(C)c1-c1ccc(F)cc1 41013183 GWVKVRAPGRZPEP-DEDYPNTBSA-N 462.546 6.318 50 10 JKGE CCCCCCCOc1ccc(/C=C2/C(=O)N(Cc3ccc4c(c3)OCO4)C(=O)C(C#N)=C2C)cc1 101339803 YFJJRHDQFZCPTN-BUVRLJJBSA-N 486.568 5.557 50 10 JKGE CCCCCCCCCCOc1ccc(C(=O)N/N=C2/C(=O)Nc3c(C)ccc(Cl)c32)cc1 103735522 WIYYLMMLTKEINJ-UHFFFAOYSA-N 470.013 6.254 50 10 JKGE Brc1ccc(C[C@@H](Br)c2cc(Br)ccc2Br)cc1 109844921 FEMMWTLJTPLART-CQSZACIVSA-N 497.850 6.653 50 10 JKGE Clc1ccc(C[C@@H](Br)c2ccc(I)cc2)cc1Cl 110305643 CDMXRULQBWIZGT-GFCCVEGCSA-N 455.948 6.277 50 10 JKGE Fc1cc([C@@H](Br)c2csc(I)c2)c(F)cc1Br 123468173 OYPPTIDHFPEJGF-NSHDSACASA-N 493.936 5.878 50 10 JKGE COc1cc(C)c([C@H](Br)c2cc(Br)c(Br)s2)cc1OC 128556631 KJPPLIBADRUCTC-ZDUSSCGKSA-N 485.035 6.083 50 10 JKGE C[C@H](Br)c1ccccc1NS(=O)(=O)c1cc(Cl)c(Br)s1 136602870 FDYPMNFKJMEZEZ-ZETCQYMHSA-N 459.612 5.421 50 10 JKGE COc1ccc(Cc2nc3cc(C(=O)N/N=C\c4ccc(OC(C)(C)C)cc4)ccc3[nH]2)cc1 169925576 MFKGUXKYDYZJFZ-QRQIAZFYSA-N 456.546 5.104 50 10 JKGE COc1ccc(CN(Cc2ccc(OC)cc2)C(=O)NC[C@@]2(C)C[C@H](N=C=O)CC(C)(C)C2)cc1 170289296 QGXXQUMGVGBPSG-LXFBAYGMSA-N 479.621 5.336 50 10 JKGE CC(C)(C)[Si]1(C(C)(C)C)O[Si](C(C)(C)C)(C(C)(C)C)O[Si](C(C)(C)C)(C(C)(C)C)O1 195797995 JJVBZRJJLKKWQD-UHFFFAOYSA-N 474.951 9.177 50 10 JKGE CCCCCCCCOc1ccc(/C=C2\C(=O)N([C@@H](C)CC)C(=O)C(C#N)=C2C)cc1OC 214267945 GINMTCLIUQVUJZ-ODENVGOISA-N 452.595 5.825 50 10 JKGE CC(C)(C)OC(=O)NN(C(=O)OC(C)(C)C)c1cccc(SCCO[Si](C)(C)C(C)(C)C)c1 215446476 RXWNEXPXGQHQRH-UHFFFAOYSA-N 498.762 6.982 50 10 JKGE CCCOc1ccc([C@H](Br)c2ccc(Br)s2)cc1Br 229008450 VBTIRJZNHOOJCT-AWEZNQCLSA-N 469.036 6.546 50 10 JKGE Brc1cc([C@H](Br)c2cc(Br)c(Br)s2)cs1 232483686 UMVRBULEPQKIKW-QMMMGPOBSA-N 495.881 6.581 50 10 JKGE CCCOc1ccc([C@@H](Br)c2cc(Cl)sc2Cl)cc1Br 233251351 GKGUQUVOCNHGFE-CYBMUJFWSA-N 459.030 7.091 50 10 JKGE CC(C)Oc1ccc(-c2cc(C(=O)NN=Cc3cc([N+](=O)[O-])ccc3O)c3ccccc3n2)cc1 252614483 JKEFPMMWIHGFOP-UHFFFAOYSA-N 470.485 5.067 50 10 JKGE COc1cccc(C(C)=NNC(=O)CSc2nnc(-c3ccc(C)cc3)n2C2CCCCC2)c1 254555785 KFMTYSBBPIKVPA-UHFFFAOYSA-N 477.634 5.400 50 10 JKGE O=C(OCc1ccccc1)N1C[C@@H](CBr)[C@@H](c2cc(Br)ccc2Cl)C1 382687565 KHWTVLDYFUCWRQ-PBHICJAKSA-N 487.619 5.850 50 10 JKGE C[C@@H]([C@H]1CCN(Cc2ccccc2)C1)n1c(CCl)nc2cc(I)c(F)cc21 383367103 HGPHYQGWTIUVLS-HOCLYGCPSA-N 497.783 5.602 50 10 JKGE CC(C)(C)[Si](C)(C)OCCN1CCCO[C@@H](c2ccccc2CO[Si](C)(C)C(C)(C)C)C1 616597162 ANZTZFDFVKNNDK-XMMPIXPASA-N 479.854 6.994 50 10 JKGE CC(C)(C)[Si](C)(C)OCCc1ccc([C@H]2COCCN2CCO[Si](C)(C)C(C)(C)C)cc1 616640217 UPXCPEVMXUTVFS-XMMPIXPASA-N 479.854 6.646 50 10 JKGE ClCc1nc2cccc(Br)c2n1-c1cc(Br)ccc1Br 697733374 AZDIOGIEOWMSLC-UHFFFAOYSA-N 479.397 6.052 50 10 JKGE Clc1cc(Br)c(OCc2c(Cl)cccc2Cl)c(CBr)c1 708110526 CZRFRKKTQFQBJY-UHFFFAOYSA-N 459.392 6.883 50 10 JKGE Clc1cccc(CC(CBr)(CBr)C2CCCC2)c1Br 719389622 HKEOKHNAVNLYHR-UHFFFAOYSA-N 473.474 6.611 50 10 JKGE O=C(NN=Cc1ccc(OCc2ccc(Br)cc2)cc1)c1ccccc1Br 725434615 IKOCMJLFVLYJIM-UHFFFAOYSA-N 488.179 5.555 50 10 JKGE COc1ccc(C=NNC(=O)c2cccc(Cl)c2)cc1OCc1ccc(Br)cc1 1083906054 FHAPVXNOXWRJHZ-UHFFFAOYSA-N 473.754 5.454 50 10 JKGE Cc1ccc(C(=O)NN=Cc2c(OC(=O)c3sc4ccccc4c3Cl)ccc3ccccc23)cc1 1083931644 YWJDOCVAVGNXDV-UHFFFAOYSA-N 498.991 6.999 50 10 JKGE O=C(NN=Cc1cc(Br)c(Sc2ccc(Cl)cc2)o1)c1ccccc1F 1084073617 FTOKEFOEHNZBQO-UHFFFAOYSA-N 453.720 5.750 50 10 JKGE COc1ccc(C(=O)Oc2cccc(/C=C(/C#N)C(=O)Nc3cccc(Cl)c3Cl)c2)cc1 1084129544 PKPWRGDGHUJYLH-ATVHPVEESA-N 467.308 5.767 50 10 JKGE O=C(NN=Cc1cc(Cl)cc(Cl)c1O)c1ccc(OCc2ccc(Br)cc2)cc1 1084306561 OGNDHDSMJCUHTA-UHFFFAOYSA-N 494.172 5.804 50 10 JKGE C=CCc1cc(C=NNC(=O)CC[C@@H](O)c2ccc(OCC)cc2)ccc1OCc1cccc(F)c1 1084353145 CGUXWSLVRREJKD-HHHXNRCGSA-N 490.575 5.496 50 10 JKGE COc1cc(C(=O)Nc2ccc(/C(C#N)=C\c3ccc(N(C)CCC#N)cc3)cc2)cc(OC)c1OC 1088710703 FCQKITPXSUWTOW-KQWNVCNZSA-N 496.567 5.379 50 10 JKGE Cc1c(Cl)cccc1NC(=O)[C@H](C)Oc1cccnc1NC(=O)Oc1ccc([N+](=O)[O-])cc1F 1858684716 PKHAMYDMGIWXGZ-ZDUSSCGKSA-N 488.859 5.108 50 10 JKGE CC(C)(C)c1ccc([C@H]2C(C#N)=C(N)Oc3c2c(C(F)(F)F)nn3-c2cccc3ccccc23)cc1 1865682681 VJSYEPFPGCLJKH-QFIPXVFZSA-N 488.513 6.560 50 10 JKGE CCCc1nn(-c2ccc(Br)cc2)c2c1[C@@H](c1c(F)cccc1Cl)C(C#N)=C(N)O2 1865682706 WAZRKPUJLMQLFF-GOSISDBHSA-N 487.760 5.598 50 10 JKGE CC(C)c1ccc([C@@H]2C(C#N)=C(N)Oc3c2c(C(F)(F)F)nn3Cc2cccc(Cl)c2)cc1 1865684961 CBLHMFAJUQQWDU-LJQANCHMSA-N 472.898 5.945 50 10 JKGE CCCc1nn(-c2cccc3ccccc23)c2c1[C@H](c1c(Cl)cccc1Cl)C(C#N)=C(N)O2 1865685441 IUWOZLOQOAWWMH-QFIPXVFZSA-N 475.379 6.503 50 10 JKGE CCOc1cccc([C@@H]2C(C#N)=C(N)Oc3c2c(CC)nn3Cc2ccc(Cl)c(Cl)c2)c1 1865689931 GVACAHQHOQRQTB-OAQYLSRUSA-N 469.372 5.417 50 10 JKGE Cc1ccc(COc2ccc([C@@H]3C(C#N)=C(N)Oc4c3c(C)nn4Cc3ccccc3)cc2)cc1 1865692814 IZAXJQBOPYLSIR-HHHXNRCGSA-N 462.553 5.345 50 10 JKGE CCn1nc(-c2ccccc2)c2c1OC(N)=C(C#N)[C@@H]2c1ccc(OCc2ccccc2Cl)cc1 1865704078 MLNPDDFZPZVTHW-DEOSSOPVSA-N 482.971 6.021 50 10 JKGE CCCc1nn(-c2ccc(Cl)c(Cl)c2)c2c1[C@H](c1ccccc1[N+](=O)[O-])C(C#N)=C(N)O2 1865710291 UBBHZFQMFLDXNY-LJQANCHMSA-N 470.316 5.258 50 10 JKGE Cc1ccc(-c2nc(Nc3ccc(SC#N)cc3)cc(N3C[C@H](C)Cc4ccccc43)n2)cc1 1868320843 PMMWCZVXNLCAKU-HXUWFJFHSA-N 463.610 7.099 50 10 JKGE COc1ccc(-c2c(C)oc3cc(OCc4ccc(CCl)cc4)c(OC)cc3c2=O)cc1 1871436761 OPJNCHSFPVIABZ-UHFFFAOYSA-N 450.918 6.103 50 10 JKGE Cc1c(OCc2cccc(CCl)c2)ccc2c1O/C(=C\c1ccc(Br)cc1)C2=O 1871437211 MJGRYBKBPKEUCW-UUYOSTAYSA-N 469.762 6.692 50 10 JKGE CC[C@@H](C)[C@@H](/C(O)=C(\C#N)c1nc(-c2ccc(C(C)(C)C)cc2)cs1)N1C(=O)c2ccccc2C1=O 1872751152 UESNKORUSIIABN-MHIBAPTDSA-N 499.636 6.611 50 10 JKGE COc1cc(OC)c(-c2csc(/C(C#N)=C(\O)c3ccc(Cl)c(Cl)c3)n2)cc1Cl 1872756618 SIEYTKVIDNMCSA-UNOMPAQXSA-N 467.761 6.737 50 10 JKGE CCOc1ccc(/C=C/C(O)=C(\C#N)c2nc(-c3cc(Cl)cc(C)c3OC)cs2)cc1OC 1872757320 ZZHXCWMBGQNXJB-QJGFGJJLSA-N 482.989 6.694 50 10 JKGE CCCOc1c(Br)cc(/C=C(\C#N)c2nc(-c3ccc(OC)c(C)c3)cs2)cc1OC 1872780838 NRBLMGUFAUXNGP-VCHYOVAHSA-N 499.430 6.751 50 10 JKGE CC[C@H](C)N1C(=O)c2ccc(/C(O)=C(\C#N)c3nc(-c4ccc(F)cc4F)cs3)cc2C1=O 1872818011 IHIMGLAEDGCRAY-LCDJAWGCSA-N 465.481 5.433 50 10 JKGE COC(=O)c1c(NC(=O)[C@@H](C)Oc2ccc(Cl)cc2Cl)sc(/C(C)=C/C#N)c1C 1873427988 GXSPOZJUWBEIDU-OFFHKIPUSA-N 453.347 5.483 50 10 JKGE Brc1cc(Br)c([C@H](Br)[C@H]2C[C@H]2Br)s1 1883537276 FSNKESFTWBPDOR-PJVAAEDRSA-N 453.819 5.493 50 10 JKGE Cc1cc(Br)c(F)c(Br)c1[C@H](Br)[C@@H]1C[C@H]1Br 1901323330 JHTIGVPCXMSGFC-HCVRKRLWSA-N 479.807 5.879 50 10 JKGE N#CC(=C(Cl)c1cc(I)ccc1Br)c1cccs1 1911532981 GGMZSERRPHXUJS-UHFFFAOYSA-N 450.526 5.746 50 10 JKGE Fc1cc(Br)c2nc(CCl)n(CC[C@@H]3CCN(Cc4ccccc4)C3)c2c1 1912667731 BYGMQUZGLDOBOS-INIZCTEOSA-N 450.783 5.589 50 10 JKGE Clc1c(Br)sc(Br)c1[C@H](Br)[C@@H]1Cc2ccccc21 1923050200 RELDAFVLIGUROM-PSASIEDQSA-N 471.439 6.702 50 10 JKGE CC1([C@@H](Br)c2c(Br)sc(Br)c2Br)CCCC1 1924580083 OGUASVKQVVDTOI-QMMMGPOBSA-N 495.900 7.052 50 10 JKGE CC1(C)C[C@@]1(C)[C@H](Cl)c1c(Br)sc(Br)c1Br 1924611555 CBNSERQUZQXEIH-HQJQHLMTSA-N 451.449 6.752 50 10 JKGE C[C@@H]1CCO[C@@H]1C[C@@H](Cl)c1c(Br)sc(Br)c1Br 1951106318 XHBNNPMVYPQWDK-FSDSQADBSA-N 467.448 6.131 50 10 JKGE Brc1cc(Br)c(OCC2CC(Br)C2)c(Br)c1 1991501474 XBGHKZSEQJFLEP-UHFFFAOYSA-N 477.816 5.526 50 10 JKGE CCN(Cc1ccccc1)c1ccc(C=C(C#N)S(=O)(=O)c2ccc(Br)cc2)cc1 2042447716 SLQDNJNEUQHHGF-UHFFFAOYSA-N 481.415 5.814 50 10 JKGE C[C@H](C1CC1)N(Cc1ccccc1)S(=O)(=O)c1ccc(CBr)cc1Br 2059312641 NTSAUVSXCBITIM-CQSZACIVSA-N 487.257 5.333 50 10 JKGE FC(F)(F)c1ccc(Cn2nc3c(c2CBr)[C@H]2C[C@H]2C3)c(Br)c1 2080534119 JYUYUCRNLWCPJG-ONGXEEELSA-N 450.096 5.267 50 10 JKGE CCc1nc([C@H](Cl)c2ccc(Br)cc2Br)c(Br)s1 2083317939 KYFDBIIKIYQOLH-SNVBAGLBSA-N 474.443 6.321 50 10 JKGE O=C(c1scc(Br)c1Br)N1CC[C@@H]2C[C@H](Br)CC[C@@H]21 2087668653 PRCBKNXDZBEIDA-MRTMQBJTSA-N 472.040 5.051 50 10 JKGE COc1cc(Br)c(C)cc1[C@@H](Cl)c1ccc(I)cc1 2089732133 DTXJNCARQSXZFP-HNNXBMFYSA-N 451.529 5.699 50 10 JKGE C[C@@H]1[C@H](Br)C[C@H]2CC[C@H]1N2Cc1ccc(Br)cc1Br 2092260464 HRBPAEUSEXZJEU-QGMIFYJMSA-N 452.028 5.348 50 10 JKGE CN(Cc1c(Br)cccc1Br)C[C@@H](Br)C1CCCC1 2111351197 NNXCDEHHFIVTMM-OAHLLOKOSA-N 454.044 5.597 50 10 JKGE FC1(F)CCC[C@@H]2[C@H]([C@H](Br)c3cc(Br)ccc3Br)[C@@H]21 2114396538 LJGBAUGTHIGDLI-GHORINQJSA-N 458.966 6.329 50 10 JKGE COc1cc(Cl)c([C@H](Br)c2cc(C)c(Br)o2)cc1Br 2137664408 YXHAWDZSNZQLEO-LBPRGKRZSA-N 473.386 6.259 50 10 JKGE Fc1cc(Br)cc(F)c1[C@@H](Cl)c1ccc(Br)cc1Br 2138859093 AGHKXWHGVGSURM-ZDUSSCGKSA-N 475.352 6.581 50 10 JKGE Cc1cc(F)c([C@H](Cl)c2ccc(Br)cc2I)cc1C 2142291128 IWQAQOGQKIHFHF-OAHLLOKOSA-N 453.520 6.138 50 10 JKGE CC(C)(C)[C@@H]1C[C@@H](CBr)CN(Cc2ccc(I)cc2)C1 2165008926 PUEMXDPPMJUYPM-LSDHHAIUSA-N 450.202 5.170 50 10 JKGE Cc1ccc(Br)c(COc2c(F)cc(Br)cc2CBr)n1 2169028184 RSUFNORRAMUECX-UHFFFAOYSA-N 467.958 5.528 50 10 JKGE Cc1cc(Br)c(C)c([C@H](Br)[C@@H]2C[C@H]3CCCC[C@H]32)c1Br 2201065232 OMJXIILTCRZVIR-HPTBWKMGSA-N 465.067 7.091 50 10 JKGE Cc1cc(F)ccc1[C@H](Br)c1c(C)c(Br)cc(C)c1Br 2201074200 QTRZQEMWNVKSDD-INIZCTEOSA-N 464.998 6.760 50 10 JKGE CN(C[C@@H](Cl)Cc1sc(Br)c(Br)c1Br)C1CC1 2216421630 RVZWBLYSNZVGOD-LURJTMIESA-N 466.464 5.280 50 10 JKGE FC(F)(F)[C@@H]1CC[C@@H]1[C@@H](Cl)c1c(Br)sc(Br)c1Br 2217669785 CVPXBAVMDRARKW-PJVAAEDRSA-N 491.392 6.904 50 10 JKGE Cc1sc([C@H](Cl)c2sc(Br)c(C)c2Br)c(C)c1Br 2218966496 XXMMWCQTVCPHPX-VIFPVBQESA-N 493.511 7.351 50 10 JKGE CN(Cc1ccccc1)C(C)(C)Cn1c(CCl)nc2cc(Br)c(Br)cc21 2225685983 ISPXPXKSBFHJCH-UHFFFAOYSA-N 499.678 6.211 50 10 JKGE O=C(Nc1ccc(Cl)cc1CBr)c1cc(Br)c(Br)s1 2231151847 ABHOTUUERKOGCL-UHFFFAOYSA-N 488.426 6.074 50 10 JKGE O=C(c1cc(Br)sc1Br)N1C[C@@H](Br)CC12CCCC2 2232243358 NIWPGABBRMETFJ-QMMMGPOBSA-N 472.040 5.195 50 10 JKGE FC1(F)CCOC[C@H]1[C@H](Br)c1c(Br)cc(Cl)c(Cl)c1Cl 2232510666 HRYDSPITGPCXML-CDUCUWFYSA-N 473.366 6.517 50 10 JKGE CC(C)CC1([C@@H](Br)c2cc(Br)c(Br)cc2F)CCCC1 2233975836 LYFKYVYZANLKOC-HNNXBMFYSA-N 471.046 7.393 50 10 JKGE Fc1cc(Br)c(Br)cc1[C@@H](Br)[C@H]1C[C@H]2COC[C@H](C2)C1 2233981598 KPYSBBVHWZCWTB-OFYUCFFLSA-N 471.002 5.849 50 10 JKGE C[C@H](Cl)c1nc2cc(Br)c(Br)cc2n1CC1CC(Br)C1 2234066160 LSWXJCKLSMISHL-UEJVZZJDSA-N 485.445 6.035 50 10 JKGE COc1cc([C@@H](Br)c2cc(Br)c(Br)s2)c(OC)cc1C 2236785747 BEEDCEIJLGQBBZ-CYBMUJFWSA-N 485.035 6.083 50 10 JKGE Fc1ccc(I)cc1[C@H](Br)c1ccc([C@H]2CCOC2)s1 2240420458 AOJKJQSJFSHTTH-VFZGTOFNSA-N 467.141 5.480 50 10 JKGE Brc1ccc(Br)c([C@H](Br)c2ccc([C@@H]3CCOC3)s2)c1 2240447525 FWDUIRSQYXRBMA-PSLIRLAXSA-N 481.047 6.261 50 10 JKGE Fc1cc(Br)c(F)c(Br)c1[C@@H](Br)C1(Br)CC1 2244994101 UFCQRKPGZACUGK-SECBINFHSA-N 483.770 5.853 50 10 JKGE C[C@H]([C@H](Br)c1c(F)cc(Br)c(F)c1Br)C(F)(F)F 2260067155 HKNBUULQXQRASF-NFNCENRGSA-N 460.860 6.124 50 10 JKGE CC(C)C(F)(F)[C@@H](Br)c1c(F)cc(Br)c(F)c1Br 2260069190 SJPPLPZPFOZEQW-JTQLQIEISA-N 456.897 6.217 50 10 JKGE Fc1cc(Br)c(F)c(Br)c1[C@@H](Br)CCCC(F)(F)F 2272732433 GNNAKBXTZIXWSJ-YFKPBYRVSA-N 474.887 6.658 50 10 JKGE Cc1cccc([C@H](Cl)c2cc3sc(Br)cc3s2)c1I 2278097062 RAPOAAPRKXTYCJ-ZDUSSCGKSA-N 483.621 6.967 50 10 JKGE Cc1cc(Br)c(C)c([C@@H](Br)C[C@@H]2CCCC23CC3)c1Br 2281374210 ZHNRFWLOBXPCOI-JSGCOSHPSA-N 465.067 7.235 50 10 JKGE Clc1ccc([C@H](Br)c2ccc3c(c2)OCCO3)cc1I 2283580122 CZAYKTLNQBFEGS-HNNXBMFYSA-N 465.512 5.200 50 10 JKGE COc1ccc([C@H](Cl)c2cc(Br)ccc2OC)cc1I 2285009391 PBBLTCFAMGJLLO-HNNXBMFYSA-N 467.528 5.399 50 10 JKGE CC[C@@H](C)c1ccc(OCCOc2ccc(Cl)cc2C=C(C#N)C(=O)Nc2ccc(C)cc2)cc1 2294593197 DRASBRCUUJDBGY-OAQYLSRUSA-N 489.015 7.165 50 10 JKGE COc1cc(C)c(Cl)cc1[C@H](Cl)c1ccc(I)c(Br)c1 2295298532 IFSJHCGVDJEUFK-OAHLLOKOSA-N 485.974 6.352 50 10 JKGE Brc1cc(Br)cc(C[C@H](Br)C[C@@H]2CCCCC23CC3)c1 2295335490 LBGVOIBYANLCPE-KBPBESRZSA-N 465.067 6.878 50 10 JKGE Cc1ccc(F)c([C@H](Br)Cc2cc(Br)cc(Br)c2)c1F 2295336643 ZFUKGNKPGJNMBB-GFCCVEGCSA-N 468.961 6.477 50 10 JKGE N#CC(C(=O)Nc1cccc2ccccc12)=C1S[C@@H](Cc2ccc(F)cc2)C(=O)N1c1ccccc1 2296506993 OHFGWLQRKQCUQV-SANMLTNESA-N 493.563 6.044 50 10 JKGE CCOC(=O)c1c(NC=C(C#N)c2nc(-c3ccc(CC)cc3)cs2)sc(C(=O)OC)c1C 2296789900 ACTZYPVPVGGPKL-UHFFFAOYSA-N 481.599 5.682 50 10 JKGE CC[C@@H]1CC[C@H]([C@H](Br)c2cc(Br)ccc2OCc2ccccc2)O1 2299492748 DHNJTLXIWMTERJ-NSISKUIASA-N 454.202 6.422 50 10 JKGE Brc1ccc(OCc2ccccc2)c([C@@H](Br)C[C@@H]2C[C@H]3C[C@H]3C2)c1 2299505435 WVNVHKQLYDPMHB-CLWJZODNSA-N 450.214 6.900 50 10 JKGE CC(C)(C[C@H](Br)c1sc(Cl)cc1I)C(F)(F)F 2300957181 LACILGADNYCVLO-YFKPBYRVSA-N 461.512 6.421 50 10 JKGE COc1cc(C=C(C#N)C(=O)Nc2ccc(C)cc2)cc(Cl)c1OCc1ccccc1Cl 2313568425 SCXGVNJTDJATSV-UHFFFAOYSA-N 467.352 6.435 50 10 JKGE N#CC(=Cc1cc(Br)ccc1OCc1ccc(F)cc1)C(=O)Nc1ccccc1F 2313631352 OMOKDCFEJOHWBP-UHFFFAOYSA-N 469.285 5.852 50 10 JKGE Cc1cccc(NC(=O)C(C#N)=Cc2ccc(N3N=C(c4ccccc4)C[C@@H]3c3ccccc3)cc2)c1 2314482311 HFKWCVRRSKOJEH-WJOKGBTCSA-N 482.587 6.896 50 10 JKGE N#CC(=Cc1ccc(-c2ccc(Cl)c(Cl)c2)o1)C(=O)Nc1ccccc1C(F)(F)F 2314571702 KMYHJFYTSVKDSH-UHFFFAOYSA-N 451.231 6.818 50 10 JKGE CCCCOc1cccc(-c2nn(-c3ccccc3)cc2C=C2C(=O)N(C(C)C)C(=O)C(C#N)=C2C)c1 2314609954 APYPVEUPRLRNQW-UHFFFAOYSA-N 494.595 5.719 50 10 JKGE CCc1sc(Br)cc1[C@@H](Cl)c1ccc(Cl)cc1I 2317778096 KQSMQIATSAOUIB-ZDUSSCGKSA-N 476.004 6.659 50 10 JKGE CCCCCOc1ccc(C=NNC(=O)c2nc(-c3ccccc3)sc2C)cc1OCC 2318418408 ZTVJDXSLXPLNJW-UHFFFAOYSA-N 451.592 5.850 50 10 JKGE Cc1nc(-c2ccc(Cl)c(Cl)c2)ccc1C(=O)NNC(=O)C=Cc1cccc(OC(C)C)c1 2321178249 UPYVPQJUFDTUGR-UHFFFAOYSA-N 484.383 5.625 50 10 JKGE CC[C@H]1C[C@@H](Cc2ccc(I)c(Br)c2)C[C@H](Br)C1 2325173007 MXTIOEBWGVCJEL-WCFLWFBJSA-N 486.029 6.186 50 10 JKGE N#CC(=Cc1ccccc1)C(=O)Nc1c(Br)cc(Br)cc1Br 2325309754 LIVZQYPDOPRTDT-UHFFFAOYSA-N 484.973 5.520 50 10 JKGE N#CC(=CNC(c1ccccc1)c1ccccc1)C(=O)Nc1ccccc1Sc1ccccc1 2325336182 LHAOVIJMLGCDTC-UHFFFAOYSA-N 461.590 6.563 50 10 JKGE Cc1ccc(COc2cccc(C=NNC(=O)[C@H](Cc3ccccc3)NC(=O)OC(C)(C)C)c2)cc1 2328827627 IYBMKHWWLMEMGN-SANMLTNESA-N 487.600 5.160 50 10 JKGE Cc1ccc2nc(-c3ccc(NC(=O)C(C#N)=Cc4ccc(Br)cc4)cc3)sc2c1 2329662452 YAXKHDRRBHOHSE-UHFFFAOYSA-N 474.383 6.580 50 10 JKGE CCOC(=O)c1cnn(-c2ccc(Cl)cc2)c1NC(=O)C(C#N)=Cc1cccc(Br)c1 2329699606 HUPDCNBSTXLWLL-UHFFFAOYSA-N 499.752 5.011 50 10 JKGE FC1(F)CCC[C@@H]2[C@@H]([C@@H](Cl)c3c(Br)sc(Br)c3Cl)[C@@H]21 2330159561 BVFHIUVNFSQILA-SJNFNFGESA-N 454.989 6.888 50 10 JKGE COC(=O)c1ccc2c(O)nc(C(C#N)=Cc3ccccc3OCc3ccccc3Cl)nc2c1 2331046431 WDCFIDKHOURWEY-UHFFFAOYSA-N 471.900 5.419 50 10 JKGE CCCCc1ccc(-c2csc(C(C#N)=C(O)[C@H](CC(C)C)N3C(=O)c4ccccc4C3=O)n2)cc1 2331256009 NVJJSVMEBMPWGQ-VWLOTQADSA-N 499.636 6.656 50 10 JKGE CCc1cccc(CC)c1N1C[C@@H](C(O)=C(C#N)c2nc(-c3ccc(C)cc3)cs2)CC1=O 2331312705 PMUXXBAJVFKUFM-NRFANRHFSA-N 457.599 6.089 50 10 JKGE Cc1ccc(OCC(O)=C(C#N)c2nc(-c3ccc(C(C)(C)C)cc3)cs2)c(C(C)(C)C)c1 2331332016 WDADWWDMQJECID-UHFFFAOYSA-N 460.643 7.585 50 10 JKGE COc1cc(Cl)c(C)cc1-c1csc(C(C#N)=C(O)c2c(Cl)ccc(Cl)c2Cl)n1 2331390228 ROCKCSWCBGHYSD-UHFFFAOYSA-N 486.207 7.691 50 10 JKGE CCCCCCOc1ccc(C=C(C#N)c2nc(-c3ccc(OCCC)cc3)cs2)cc1OC 2331445294 FTBYINQGACIYBD-UHFFFAOYSA-N 476.642 7.631 50 10 JKGE Clc1ccc(CC[C@@H](Br)CN2CCCCC2)cc1I 2337217710 AGZDBUOEKXIIJC-CYBMUJFWSA-N 456.593 5.127 50 10 JKGE COc1ccc(Cl)cc1[C@H](Br)c1c(Br)c(Br)nn1C 2338723698 ZTCWUZJODUNWIS-VIFPVBQESA-N 473.390 5.091 50 10 JKGE CCC1(CC)[C@@H](Br)C[C@@H]1OCc1c(Br)cccc1Br 2340567025 AAUWSZCIUURBER-KBPBESRZSA-N 455.028 6.070 50 10 JKGE ClCc1ccc(OCc2cc(I)ccc2Br)cc1Cl 2341781510 VXQVVINESRDGGU-UHFFFAOYSA-N 471.947 6.025 50 10 JKGE Cc1nn(Cc2ccc(I)c(Br)c2)c(C)c1[C@H](C)Cl 2349810527 RQRTZXUQMRYZGQ-QMMMGPOBSA-N 453.549 5.215 50 10 JKGE Clc1ccc(I)cc1C[C@@H]1CCCCCCC[C@H]1Br 2352426666 APAPUTWSBFSUHS-SWLSCSKDSA-N 455.605 6.611 50 10 JKGE CCC[C@H]1CN(Cc2cc(I)ccc2Cl)C[C@H]1CBr 2352432899 ZGCQQSHMYQSLSV-WCQYABFASA-N 456.593 5.188 50 10 JKGE COc1c(F)c(F)cc([C@H](Br)c2cc(Br)c(Cl)s2)c1F 2361167147 ZWLCURQLIRFVCN-QMMMGPOBSA-N 450.501 6.074 50 10 JKGE CC(C)(C)OC1CC(C[C@H](Br)c2cc(Br)ccc2OCc2ccccc2)C1 2361170157 BEQHYCJKVKNKKX-XTXLOEGASA-N 496.283 7.448 50 10 JKGE CN(c1cc(Cl)c(F)cc1CBr)[C@H]1C[C@@H]2CC[C@H](C1)N2Cc1ccccc1 2362397101 IAUMCRIXNWMTGF-REPLKXPHSA-N 451.811 6.006 50 10 JKGE CC(C)(C)OC(=O)N1CCC[C@@](CBr)(OCc2cc(F)ccc2C(F)F)C1 2363553950 UIUVUZIWNSQJEV-IBGZPJMESA-N 452.311 5.445 50 10 JKGE FC(F)(F)c1ccc(Cl)c([C@@H](Cl)c2sc(Cl)cc2I)c1 2364124803 NWQGKXVXNBTVNK-SNVBAGLBSA-N 471.496 7.007 50 10 JKGE Cc1cc(Br)c(F)c(Br)c1[C@H](Br)[C@@H]1C[C@@H]1C1CCCC1 2365195028 XUXQPCQGBJWAJN-JTNHKYCSSA-N 469.030 6.921 50 10 JKGE Cc1cc(Br)c(F)c(Br)c1[C@@H](Br)[C@H]1CC12CCOCC2 2365218548 LVNFJYUFJCBSOL-SKDRFNHKSA-N 471.002 5.912 50 10 JKGE COc1c(Br)cc(C)c([C@@H](Cl)c2ccccc2Br)c1Br 2365223850 RIQUCYNPYHZNMT-AWEZNQCLSA-N 483.425 6.619 50 10 JKGE Clc1ccc(I)cc1C[C@]1(CBr)CCCCC12CCC2 2380448942 WQABHDNUKJQCQS-KRWDZBQOSA-N 467.616 6.613 50 10 JKGE N#C/C(C(=O)Nc1ccccc1)=C1\S[C@H](Cc2ccc(F)cc2)C(=O)N1c1ccc(Cl)cc1 1790542 FEBKCCPZRYCMSV-FNBPXTNNSA-N 477.948 5.544 50 10 JKGE C/C(=N\NC(=O)COc1ccc(C(C)C)cc1Br)c1ccc(-c2ccccc2)cc1 12580152 QVVAIFSNCTTWPN-OVVQPSECSA-N 465.391 6.159 50 10 JKGE CCCCCCOc1ccc(C(=O)NNC(=O)c2ccc(OCCCC)c(Br)c2)cc1 14041309 WQZFQGMFRKQHJV-UHFFFAOYSA-N 491.426 5.662 50 10 JKGE Cc1ccc(-c2ccc(/C=C(/C#N)C(=O)Nc3ncc(Cc4cc(Cl)ccc4Cl)s3)o2)cc1 33661732 ZKCRGGLKMACQCL-WQRHYEAKSA-N 494.403 7.155 50 10 JKGE CCc1ccc(O[C@@H](C)C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@H]3c2ccc(C)cc2)cc1 38649288 DWWZULLVJXRLJF-QYBDOPJKSA-N 454.526 5.149 50 10 JKGE CCCOc1ccccc1C(=O)Oc1ccc2c(c1)OC(N)=C(C#N)[C@@H]2c1ccc(Cl)cc1 38651421 HSQYVFDDTOXVQJ-XMMPIXPASA-N 460.917 5.566 50 10 JKGE Cc1cccc(C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@@H]3c2ccc(Br)cc2)c1 38651567 QUHJWPRKVRRPOS-JOCHJYFZSA-N 461.315 5.195 50 10 JKGE Cc1cccc(C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@H]3c2ccc(Cl)cc2Cl)c1 38655110 YCIRWTZYBNPFDE-QFIPXVFZSA-N 451.309 5.739 50 10 JKGE Cc1cccc(C)c1OCC(=O)Oc1ccc2c(c1)OC(N)=C(C#N)[C@@H]2c1ccc(Cl)cc1Cl 38655365 ZLKNJUPYWFIBIV-XMMPIXPASA-N 495.362 5.813 50 10 JKGE Cc1ccc2c(C)c(C(=O)Oc3ccc4c(c3)OC(N)=C(C#N)[C@H]4c3ccc(C(C)C)cc3)oc2c1 38687066 NXFKHOJSOFFJHC-MHZLTWQESA-N 478.548 6.610 50 10 JKGE N#C/C(=C/c1c(Oc2ccccc2)nc2ccccn2c1=O)C(=O)Nc1cccc(Cl)c1Cl 39858488 UVCAEVXYSGJDMF-SQFISAMPSA-N 477.307 5.339 50 10 JKGE Cc1ccccc1Oc1nc2ccccn2c(=O)c1/C=C(\C#N)C(=O)Nc1cccc(C(F)(F)F)c1 39993151 SHNWQKMOJFUOKB-GHRIWEEISA-N 490.441 5.360 50 10 JKGE CCCCOc1ccc(NC(=O)c2oc3c(c2C)/C(=N/NC(=O)c2ccc(C)cc2)CCC3)cc1 40804642 OXIOGPKLGOFUBQ-JJKYIXSRSA-N 473.573 5.798 50 10 JKGE Cc1c(C(=O)Nc2cccc(C(F)(F)F)c2)oc2c1/C(=N/NC(=O)c1ccc(F)cc1)CCC2 40811941 AJHINBFURWWSJY-UXHLAJHPSA-N 473.426 5.469 50 10 JKGE COc1ccccc1C(=O)N/N=C1\CCCc2oc(C(=O)N3c4ccc(F)cc4CC[C@@H]3C)c(C)c21 40813143 BHAUXTNXAQEICH-QIBGTUKJSA-N 489.547 5.188 50 10 JKGE Cc1occc1C(=O)N/N=C1\CCCc2oc(C(=O)Nc3cccc(Cl)c3Cl)c(C)c21 40823510 JIFQUWPWYIZYDN-CVKSISIWSA-N 460.317 5.519 50 10 JKGE COc1cc(/C=C(\C#N)c2ccc(Cl)cc2)ccc1OC(=O)COc1ccccc1Cl 40840715 QSZZKYYLZKZWAI-LDADJPATSA-N 454.309 6.051 50 10 JKGE O=C(CSc1nc(-c2ccc(Cl)cc2)cs1)N/N=C/c1ccc(OCc2ccccc2)cc1 40924730 OICIOTOGXDCWRG-MZJWZYIUSA-N 494.041 6.285 50 10 JKGE CCc1cc(Br)ccc1OCC(=O)N/N=C/c1ccccc1OCc1ccccc1 40959919 NEXBNRDUBNCQKS-CVKSISIWSA-N 467.363 5.120 50 10 JKGE Cc1ccc(NC(=O)/C(C#N)=C\c2cc(Cl)c(OCc3ccc4ccccc4c3)c(Cl)c2)cc1 59335279 FCNAZAVHZWZAJF-QRVIBDJDSA-N 487.386 7.580 50 10 JKGE COc1cc(/C=N/NC(=O)c2ccc(-n3c(C)ccc3-c3ccccc3)cc2)ccc1OCC#N 59679804 IBBUTUFCNSLEMQ-NDZAJKAJSA-N 464.525 5.128 50 10 JKGE C=CCNC(=O)/C(C#N)=C1\S[C@@H](Cc2ccc(Cl)cc2)C(=O)N1c1ccc(C(C)C)cc1 101241559 DXPVBBBFDDEGMV-JSIHEXFSSA-N 466.006 5.192 50 10 JKGE CCCCCCCOc1ccc(/C=C2/C(=O)N(C[C@@H]3CCCO3)C(=O)C(C#N)=C2C)cc1OCC 101337262 HOCDEKNQOQDFNV-MWLMUJSGSA-N 480.605 5.206 50 10 JKGE Br[C@H](c1ccc(C2CCCCC2)cc1)c1cccc(I)c1 109859926 AJIUAJFHRSGWSV-LJQANCHMSA-N 455.177 6.823 50 10 JKGE Clc1ccc(Cl)c([C@@H](Br)c2cc(Br)sc2Br)c1 109869969 DUDBSYJBKFWMTI-SNVBAGLBSA-N 479.846 7.064 50 10 JKGE COc1ccc(C[C@H](Br)c2cc(Br)sc2Br)cc1 109869976 BRJWNTXPFRIEFJ-NSHDSACASA-N 455.009 5.960 50 10 JKGE C[C@H](CCBr)CCOc1c(Br)cc(Br)cc1Br 115234323 IVRQOANTGKFDKP-MRVPVSSYSA-N 493.859 6.164 50 10 JKGE O=C(NC[C@H](Br)c1ccccc1)c1cc(Br)c(Br)s1 139479125 CZSRDKXRPLGZBW-JTQLQIEISA-N 468.008 5.139 50 10 JKGE CN1C(=O)Cc2cc([C@@H](Br)c3cc(Br)ccc3Br)ccc21 161086762 KTONJHJPNWDXPO-MRXNPFEDSA-N 473.990 5.215 50 10 JKGE CC(C)Sc1nc2ccc(C(=O)N/N=C\c3ccc(OC(=O)c4ccccc4)cc3)cc2[nH]1 169917914 WODUXAAZKPQIAX-YSMPRRRNSA-N 458.543 5.047 50 10 JKGE CCCOc1ccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)/C=C\c4ccccc4)ccc32)cc1 205642522 KLQMTGLUFDTWKU-KZIZLACBSA-N 452.510 5.312 50 10 JKGE COc1ccc(Cl)cc1N/C=C(/C#N)C(=O)N1CCN(C(c2ccccc2)c2ccccc2)CC1 216487564 MCVMWWORURLAAH-ATJXCDBQSA-N 487.003 5.102 50 10 JKGE Fc1ccc(Br)cc1[C@@H](Br)c1cc(Br)cc2c1OCC2 228442647 JFJMKXHVCBDHTR-CQSZACIVSA-N 464.954 5.770 50 10 JKGE CC(C)Cc1ccc([C@H](Cl)c2cc(Br)ccc2I)cc1 232624589 FBCRAGNUUZYMHE-KRWDZBQOSA-N 463.584 6.580 50 10 JKGE Cc1cc(C)c(C)c([C@H](Cl)c2cc(I)ccc2Br)c1C 235824213 CRQIRLIOKCMTCJ-QGZVFWFLSA-N 463.584 6.616 50 10 JKGE Fc1ccc(C[C@H](Cl)c2cc(I)ccc2Br)c(F)c1 236178399 ZRMKOTUAISOVOT-ZDUSSCGKSA-N 457.483 5.855 50 10 JKGE Fc1ccc([C@H](Br)c2ccc(F)c(Br)c2)c(I)c1 236250155 CUZAGRXRNJUMGP-CYBMUJFWSA-N 487.907 5.816 50 10 JKGE CCn1c2ccccc2c2cc(C=NNC(=O)c3cc(-c4ccccc4)nc4ccccc34)ccc21 252628638 SUXFWXDMTRBYDG-UHFFFAOYSA-N 468.560 6.794 50 10 JKGE C[C@@H]1C[C@H](O[C@](C)(CI)c2ccccc2Br)CC(C)(C)C1 253112587 DRJARXQBDMDOOM-QWQRMKEZSA-N 465.213 6.331 50 10 JKGE CN(c1ccc([N+](=O)[O-])cc1C=NNC(=O)COc1cccc2ccccc12)C1CCCCC1 254392005 JAYXNPANCAYVJH-UHFFFAOYSA-N 460.534 5.046 50 10 JKGE CCOc1cc(C=NNC(=O)c2ccc(Cl)c(Cl)c2)ccc1OC(=O)c1ccc(OC)cc1 254525999 KDENFLJGHKAKQO-UHFFFAOYSA-N 487.339 5.384 50 10 JKGE Cc1c(C(=O)NN=Cc2cn(Cc3ccccc3)c3ccccc23)[nH]c2ccc([N+](=O)[O-])cc12 254736541 OBHJQVPRROFOIO-UHFFFAOYSA-N 451.486 5.151 50 10 JKGE CC1(C)[C@]2(C)CC[C@@]1(C(=O)Nc1ccccc1Sc1ccccc1)[C@@H](Br)C2=O 256019417 ZYBCZJLJUNQVFU-NMNUPHIUSA-N 458.421 5.935 50 10 JKGE Clc1ccc(C[C@@H](Br)c2cc(I)cc3c2OCC3)cc1 312252227 CMCMEPOSKRULBO-OAHLLOKOSA-N 463.540 5.558 50 10 JKGE CC(C)[C@@H](CN(C)Cc1ccccc1)n1c(CCCl)nc2cc(I)ccc21 397956218 BRRXZJTUXGUBOI-OAQYLSRUSA-N 495.836 5.751 50 10 JKGE CC(C)(C)OC(=O)N1c2ccccc2CC[C@H]1c1ccc(CO[Si](C)(C)C(C)(C)C)cc1 616666691 RIWYTWANEHXDBZ-DEOSSOPVSA-N 453.699 7.637 50 10 JKGE BrCC(CBr)(Cc1cc(Br)cs1)C1CCOCC1 696849101 FQVWTMVJILQMGP-UHFFFAOYSA-N 461.057 5.256 50 10 JKGE Brc1csc([C@@H](Br)c2ccc3c(c2)COC3)c1Br 705425694 LWSQCMADHJDXDB-NSHDSACASA-N 452.993 5.788 50 10 JKGE Cc1ccc([C@H](Br)c2cccc(F)c2Br)c(C)c1Br 719539876 SVEREBQINSEXQJ-AWEZNQCLSA-N 450.971 6.452 50 10 JKGE CN(C[C@H]1CCCN(Cc2ccccc2)C1)c1ccc(CBr)cc1Br 720016406 JGXPVCGWKZKYGM-LJQANCHMSA-N 466.261 5.692 50 10 JKGE Cc1sc(C)c([C@@H](Br)c2ccc(Br)cc2Br)c1C 722488095 VOYJLUNNNHEEJE-AWEZNQCLSA-N 453.037 6.683 50 10 JKGE COc1ccc(C(=O)NN=Cc2cccc(OC)c2OCc2ccc(Cl)cc2Cl)cc1 725397418 MHPMIKRVQKXYTK-UHFFFAOYSA-N 459.329 5.354 50 10 JKGE Cc1cc(C=NNC(=O)C(=O)Nc2ccc(Cl)c(Cl)c2)c(C)n1-c1cccc(Cl)c1Cl 1084485261 WZHRAXQAFXQZLW-UHFFFAOYSA-N 498.197 5.797 50 10 JKGE Cc1ccccc1NC(=O)c1oc2c(c1C)C(=NNC(=O)c1ccc(Cl)c([N+](=O)[O-])c1)CCC2 1772747980 MROOXYXYAXFDRD-UHFFFAOYSA-N 480.908 5.181 50 10 JKGE CCCCCCOc1ccc(C=NNC(=O)COc2ccc(C)cc2Br)cc1OC 1772754620 LVUMNOHGBWTYLB-UHFFFAOYSA-N 477.399 5.254 50 10 JKGE CCCc1nn(-c2ccc(Cl)c(Cl)c2)c2c1[C@H](c1ccc(Cl)c(Cl)c1)C(C#N)=C(N)O2 1865685726 MBTSYPJZFKTQOS-LJQANCHMSA-N 494.209 6.657 50 10 JKGE C=CCOc1ccccc1[C@@H]1C(C#N)=C(N)Oc2c1c(C(F)(F)F)nn2-c1cccc(Cl)c1 1865691624 WXHGXLHJAIFVJO-GOSISDBHSA-N 472.854 5.327 50 10 JKGE CCCc1nn(C)c2c1[C@@H](c1ccc(OCc3ccc(Cl)cc3Cl)c(OC)c1)C(C#N)=C(N)O2 1865703845 GRTWCXVZRHBBDU-QFIPXVFZSA-N 499.398 5.485 50 10 JKGE CCCc1nn(-c2ccc(Cl)c(Cl)c2)c2c1[C@@H](c1ccccc1OC(C)C)C(C#N)=C(N)O2 1865705493 WZKJFWVSHPIANP-QFIPXVFZSA-N 483.399 6.137 50 10 JKGE COc1ccc([C@@H]2C(C#N)=C(N)Oc3c2c(-c2ccccc2)nn3Cc2ccccc2Cl)cc1OC 1865707163 PMYUCVHHTLFMMR-XMMPIXPASA-N 498.970 5.487 50 10 JKGE CCN(Cc1ccccc1)c1ccc([C@@H]2C(C#N)=C(N)Oc3c2c(C)nn3-c2ccccc2)cc1 1865707518 YNMHFXCSJOPYIZ-HHHXNRCGSA-N 461.569 5.425 50 10 JKGE COc1ccc(-c2nn(Cc3ccc(Cl)cc3)c3c2[C@@H](c2ccc(OC)cc2)C(C#N)=C(N)O3)cc1 1865713058 PUNWJCVXIKGFET-DEOSSOPVSA-N 498.970 5.487 50 10 JKGE Cc1ccc(-n2nc(C(F)(F)F)c3c2OC(N)=C(C#N)[C@@H]3c2ccc(Br)cc2)cc1 1865714048 BHAMIJHPRDMQTQ-INIZCTEOSA-N 475.268 5.180 50 10 JKGE N#C/C(=C\c1cccc(Br)c1)C(=O)N1CCN(C(c2ccccc2)c2ccccc2)CC1 1866366344 AZGQEPZLDAANPN-HKOYGPOVSA-N 486.413 5.290 50 10 JKGE N#CSc1ccc(Nc2cc(N3CCO[C@@H](c4cccnc4)C3)nc(Cc3ccccc3)n2)cc1 1868208241 XGJWTVRTNOGJAW-XMMPIXPASA-N 480.597 5.357 50 10 JKGE Cc1ccc(-c2nc(Nc3ccc(SC#N)cc3)cc(N3C[C@@H](C)Cc4c(C)ccc(C)c43)n2)cc1 1868320077 ALAICKDVBOGMAE-FQEVSTJZSA-N 491.664 7.716 50 10 JKGE CC(C)(C)c1nc(Nc2ccc(SC#N)cc2)cc(N2CCCc3ccc(N4CCCC4)cc32)n1 1868342194 NMJCXUXKOWSORL-UHFFFAOYSA-N 484.673 6.775 50 10 JKGE CC(=O)Nc1ccc(C/C(O)=C(\C#N)c2nc(-c3ccc(-c4ccccc4)cc3)cs2)cc1 1872744108 VFWDQMRFFGPWPI-LCUIJRPUSA-N 451.551 6.471 50 10 JKGE COc1ccccc1-c1csc(/C(C#N)=C(\O)c2ccc3c(c2)C(=O)N(C2CCCCC2)C3=O)n1 1872747374 ZNJKNVRUAYMGJB-FLFQWRMESA-N 485.565 5.697 50 10 JKGE CSCC[C@H](/C(O)=C(\C#N)c1nc(-c2ccc(C)cc2C)cs1)N1C(=O)c2ccccc2C1=O 1872748710 KASMKYCRWZSWSM-LAGVDGIJSA-N 489.622 5.638 50 10 JKGE CCc1cccc(C)c1N1C[C@H](/C(O)=C(\C#N)c2nc(-c3ccc4c(c3)OCO4)cs2)CC1=O 1872752859 WIUDPHIPBKQUNF-FCQUGJPQSA-N 473.554 5.255 50 10 JKGE COc1cc(-c2csc(/C(C#N)=C(\O)c3ccc(-n4cccc4)cc3)n2)c(OC)cc1Cl 1872756335 HZRWAMOOPYPWED-NKFKGCMQSA-N 463.946 6.221 50 10 JKGE CCCCCCCOc1ccc(-c2csc(/C(C#N)=C/c3ccc(OC(C)C)c(OC)c3)n2)cc1 1872791598 NDROEADTBYMMGI-JJIBRWJFSA-N 490.669 8.019 50 10 JKGE COc1ccc(C)cc1-c1csc(/C(C#N)=C(\O)[C@H]2CC(=O)N([C@@H](C)c3ccccc3)C2)n1 1873920951 NEPBSPWVVLHFBJ-PINGMKQJSA-N 459.571 5.530 50 10 JKGE Cc1cscc1[C@@H](Br)c1cc(Br)ccc1OCc1ccccc1 1899859526 ZECHMOHLINKZGN-IBGZPJMESA-N 452.211 6.882 50 10 JKGE C[C@@](CI)(OCCOCc1ccccc1)c1ccccc1Br 1910493183 GPKVMHVOSBIGRH-SFHVURJKSA-N 475.164 5.333 50 10 JKGE C[C@H](Cl)c1nc2c(Br)cc(F)cc2n1[C@@H]1C[C@H](C)N(Cc2ccccc2)C1 1912674547 PKDFKGGABJFGEH-GRDNDAEWSA-N 450.783 6.073 50 10 JKGE C[C@@H](CCBr)N(Cc1ccccc1)S(=O)(=O)c1ccc(Cl)c(F)c1Cl 1915094574 KQCNQQCOJWWPLC-LBPRGKRZSA-N 469.203 5.497 50 10 JKGE Cl[C@@H](c1ccc(I)cc1)c1sc(Br)cc1Br 1922933284 UWEJUEJNWAQFAQ-JTQLQIEISA-N 492.401 6.206 50 10 JKGE Cc1c(Br)sc([C@@H](Br)[C@H]2Cc3ccccc32)c1Br 1922944891 ANXRLQFJXHNGGY-JQWIXIFHSA-N 451.021 6.357 50 10 JKGE Cc1c(Br)sc([C@H](Cl)Cc2ccc(Br)cc2)c1Br 1922945653 ILFZRZADWFNJRB-SNVBAGLBSA-N 473.455 6.867 50 10 JKGE Brc1cnccc1C[C@H](Br)c1cccc(I)c1 1924044568 XWOUAUPACMELEP-LBPRGKRZSA-N 466.942 5.127 50 10 JKGE FC(F)(F)c1csc([C@@H](Br)c2csnc2Br)c1Br 1925249012 VLHHYAURWLYCHC-YFKPBYRVSA-N 485.970 6.233 50 10 JKGE COCCCN(Cc1ccccc1)c1c(CBr)ccc(Br)c1Cl 1939329857 SDXOWQSWFQNCAN-UHFFFAOYSA-N 461.625 6.041 50 10 JKGE Cc1cc(Br)c(C)c([C@@H](Br)c2csc(Cl)c2)c1Br 2081082565 OULNQDSBXUGSNB-ZDUSSCGKSA-N 473.455 7.028 50 10 JKGE CC(C)(C)[C@@H](CCBr)NC(=O)c1c(Br)cccc1Br 2094087967 GAQAWSGHSFTKGM-LLVKDONJSA-N 456.016 5.141 50 10 JKGE C[C@@H](Cl)c1nc2cc(Br)c(Cl)cc2n1CC1CN(Cc2ccccc2)C1 2103807625 MMEVQXUNIZYTFT-CYBMUJFWSA-N 453.211 5.884 50 10 JKGE BrCc1cc(Br)c(OC[C@H]2[C@H]3CCCC[C@H]32)c(Br)c1 2111009758 NZNBWBRQBHSGTD-ZSBIGDGJSA-N 453.012 5.922 50 10 JKGE Clc1c(Br)cccc1CC[C@@H](Br)c1cccc(Br)c1 2113448668 CQPBGHGTPQFVCZ-CYBMUJFWSA-N 467.426 6.934 50 10 JKGE Cc1cc(C)c([C@@H](Br)c2cc(Br)c(Cl)s2)c(C)c1Br 2115941960 GGOSFPBUZLJXRE-ZDUSSCGKSA-N 487.482 7.336 50 10 JKGE O=C(c1cc(Br)sc1Br)N1C[C@H](Br)C2(CCCC2)C1 2117750223 VLBNKDNPYDFEAH-VIFPVBQESA-N 472.040 5.053 50 10 JKGE Cc1c(CBr)cc(Cl)cc1S(=O)(=O)N(Cc1ccccc1)[C@@H](C)C(C)C 2123267328 FUIJUDOQAOJPQL-INIZCTEOSA-N 458.849 5.779 50 10 JKGE Cc1c(Br)ccc([C@H](Br)C2(CC(F)(F)F)CC2)c1Br 2138852225 MUKOREOHFHYQFN-NSHDSACASA-N 464.945 6.689 50 10 JKGE CC(C)Oc1ccc([C@@H](Br)c2cccc(Br)c2Br)cc1 2148748790 FMQSHFVMWPQNHC-OAHLLOKOSA-N 463.007 6.483 50 10 JKGE O=C(N[C@H]1CCCC[C@H]1CCBr)c1cccc(Br)c1Br 2148749068 BAFDXQLDWSDSAF-GWCFXTLKSA-N 468.027 5.285 50 10 JKGE BrCc1cc(Br)ccc1N1CCc2c(Br)cccc2C1 2149905546 IRGKAVNUGJZDMX-UHFFFAOYSA-N 460.007 5.669 50 10 JKGE COc1cc(Br)c(Oc2ncc(C)cc2CBr)cc1Br 2159676110 IKXAMVYFNJJLSP-UHFFFAOYSA-N 465.967 5.611 50 10 JKGE CCCCCCCCCC[C@@H](Br)c1sc(Br)c(C)c1Br 2164487575 NRYHUUVIXRQSRT-CYBMUJFWSA-N 489.155 8.548 50 10 JKGE BrCc1cc(Br)c(OC[C@H]2CC23CCCCC3)c(Br)c1 2165703681 XGCAOJRDOJCZCW-GFCCVEGCSA-N 467.039 6.456 50 10 JKGE FC(F)(F)[C@@]1(CBr)CCN(Cc2cc(Cl)ccc2I)C1 2167685943 NDRGJOJWRLXERD-GFCCVEGCSA-N 482.509 5.094 50 10 JKGE C[C@H](Cl)c1nc2cc(Cl)c(Br)cc2n1C1CC(COCc2ccccc2)C1 2169012077 SUQCXFUIMWFODH-JEYLPNPQSA-N 468.222 6.920 50 10 JKGE O=S(=O)(c1cc(F)c(Cl)c(CBr)c1)N(Cc1ccccc1)CC1CCCC1 2179861999 PIGNUKKCMITMOY-UHFFFAOYSA-N 474.823 5.755 50 10 JKGE COc1cc(Cl)c([C@@H](Br)c2cc(Cl)cc(Cl)c2)cc1Br 2202349289 XFAMNJLRTQJENZ-AWEZNQCLSA-N 459.392 6.902 50 10 JKGE Brc1sc([C@H]2CCC[C@H]2Br)c(Br)c1Br 2209975932 JJJFFIIVPKCGIB-CRCLSJGQSA-N 467.846 6.067 50 10 JKGE CC[C@](C)(CCCC(C)C)O[C@@H]1CN(C(=O)OC(C)(C)C)C[C@H]1I 2213740664 MAWREEYZYUIMNW-GPMSIDNRSA-N 453.405 5.421 50 10 JKGE Cc1cc(Br)c([C@H](Br)c2occc2Br)c(C)c1Cl 2217607339 BWJNVBLOFFGQIU-NSHDSACASA-N 457.387 6.559 50 10 JKGE CC(F)(F)C(C)(C)[C@@H](Br)c1cc(Br)c(Br)cc1F 2218606671 UDLNWCHAGONIMT-JTQLQIEISA-N 452.934 6.468 50 10 JKGE CCn1cc(Br)c([C@H](Br)c2c(C)sc(Br)c2C)n1 2218803436 PZHHYSXHGOWPRK-SNVBAGLBSA-N 457.029 5.591 50 10 JKGE CC(F)(F)C1([C@@H](Br)c2c(Br)cc(Cl)c(Cl)c2Cl)CC1 2224310184 GDEICHTVLJKVAC-JTQLQIEISA-N 457.367 7.281 50 10 JKGE CC[C@H]1CC[C@H]([C@H](Br)c2cc(Br)c(Br)cc2F)CC1 2225617918 WNHDTEMHKCUTKJ-YHAQOWFVSA-N 457.019 7.003 50 10 JKGE Cc1cc(Br)c([C@H](Br)[C@@H]2CCC[C@H](F)C2)c(C)c1Br 2227369979 OVTQQRDNIMJZDO-JRPNMDOOSA-N 457.019 6.793 50 10 JKGE Brc1c([C@@H](Br)c2cccc(OCc3ccccc3)c2)ccc2c1CCO2 2229747232 MNOIUBQDDLLBKI-NRFANRHFSA-N 474.192 6.447 50 10 JKGE O=C(Nc1ccc(Cl)cc1CBr)c1ccccc1I 2231155867 POTVRXIWXAODOS-UHFFFAOYSA-N 450.501 5.092 50 10 JKGE Cc1cc(Br)c([C@H](Br)[C@@H]2[C@H]3[C@H]4CC[C@@H](C4)[C@H]32)c(C)c1Br 2235602082 CESKDGQKXPFGFO-ZPUPMGOUSA-N 463.051 6.557 50 10 JKGE Clc1c(Br)csc1[C@@H](Cl)c1cc(Br)c(Br)s1 2242670555 HFHODGBXZOQZFQ-ZETCQYMHSA-N 485.875 7.079 50 10 JKGE Clc1cccc([C@H](CI)OC2CCN(Cc3ccccc3)CC2)c1 2250385207 FUIVRLTVEKSSIZ-FQEVSTJZSA-N 455.767 5.497 50 10 JKGE CCc1cc([C@H](Cl)c2ccc(C)c(I)c2)sc1Br 2256051434 GBMQNBYENOUTJK-CYBMUJFWSA-N 455.586 6.314 50 10 JKGE Fc1cc(Br)c(F)c(Br)c1[C@@H](Br)[C@@H]1CCCC1(F)F 2272741044 SRFYDRXFYHLVOX-CDUCUWFYSA-N 468.908 6.361 50 10 JKGE C[C@@H](C1CCCCC1)[C@H](Br)Cc1cc(Br)cc(Br)c1 2277965818 NMYISJVWMGVQAF-MEDUHNTESA-N 453.056 6.734 50 10 JKGE Fc1cc(Br)ccc1CO[C@H](CBr)c1cccc(Br)c1 2281374342 WEFUQKYTTACUMP-OAHLLOKOSA-N 466.970 6.004 50 10 JKGE COc1ccc([C@H](Cl)c2ccc(OC)c(I)c2)c(Br)c1 2285012500 SAQUMBZNUDFLGY-OAHLLOKOSA-N 467.528 5.399 50 10 JKGE COc1ccc(C(=O)Oc2ccccc2C=C(C#N)C(=O)Nc2cc([N+](=O)[O-])ccc2Cl)cc1 2293175792 QKCWLCRMEGTZOU-UHFFFAOYSA-N 477.860 5.022 50 10 JKGE Cc1cc(F)c([C@@H](Br)Cc2cc(Br)cc(Br)c2)cc1F 2295273845 COOQQZYFCIHSHA-ZDUSSCGKSA-N 468.961 6.477 50 10 JKGE COc1cc(C=C(C#N)c2nc(-c3ccc(Cl)cc3)cs2)ccc1OCc1ccccc1 2296801457 IZEMNBYHRJQZGW-UHFFFAOYSA-N 458.970 7.115 50 10 JKGE N#CC(=CNc1cc(C(F)(F)F)cc(C(F)(F)F)c1)C(=O)Nc1ccc(F)c(Cl)c1 2297564449 MIMCVDWBULCEFY-UHFFFAOYSA-N 451.729 5.975 50 10 JKGE CC[C@]1([C@H](Br)c2cc(Br)ccc2OCc2ccccc2)CC1(F)F 2299502732 ZCBADOIZEHCXGQ-QZTJIDSGSA-N 460.156 6.900 50 10 JKGE Cc1cccc([C@@H](Cl)c2sc(Cl)cc2I)c1Br 2300955601 ODKCBXSTNHMLLH-LLVKDONJSA-N 461.977 6.405 50 10 JKGE CC(C)(C)OC(=O)NC[C@@](C)(CI)OCCC1CCCCCCC1 2303071069 KFLGICXUVIILTA-LJQANCHMSA-N 453.405 5.472 50 10 JKGE N#CC(=Cc1ccc(OCc2cccc3ccccc23)c(Br)c1)C(=O)Nc1ccccc1 2313510927 DSTFKRDNNNMHDB-UHFFFAOYSA-N 483.365 6.727 50 10 JKGE Cc1cc(C=C(C#N)C(=O)Nc2cccc(Cl)c2Cl)c(C)n1-c1sc2c(c1C#N)CCCC2 2313571461 WWJFXKZATSUICZ-UHFFFAOYSA-N 495.435 6.759 50 10 JKGE N#CC(=Cc1cc(Cl)ccc1OCc1ccc(Cl)cc1)C(=O)Nc1cccc([N+](=O)[O-])c1 2313681235 WKEVTJCTHMNGNM-UHFFFAOYSA-N 468.296 6.026 50 10 JKGE CCCC[C@H](C)CC[C@H](Br)c1cc(Br)ccc1OCc1ccccc1 2314447487 YWQOFDSWTHUFFG-UWJYYQICSA-N 468.273 8.071 50 10 JKGE FC1(F)[C@@H]2CC[C@H]([C@H](Br)c3cc(Br)ccc3OCc3ccccc3)[C@@H]21 2314451739 HMTMXXWTKNQXBM-FXECBMLZSA-N 472.167 6.755 50 10 JKGE CCCCOc1ccc(-c2nn(-c3ccccc3)cc2C=C(C#N)C(=O)NCCCOC)cc1Cl 2314477017 ZUWYODNMGYNQIC-UHFFFAOYSA-N 493.007 5.431 50 10 JKGE C=CCN1C(=O)C(=Cc2cn(-c3ccccc3)nc2-c2cccc(OCCC)c2)C(C)=C(C#N)C1=O 2314617085 QKXHZRUEXOMTGH-UHFFFAOYSA-N 478.552 5.106 50 10 JKGE CCCCOc1ccc(C=C2C(=O)N(Cc3ccc(OC)cc3)C(=O)C(C#N)=C2C)cc1OCC 2314617491 ZGLFAJIBYVZCNG-UHFFFAOYSA-N 474.557 5.065 50 10 JKGE CCCOc1ccccc1[C@@H]1C(C#N)=C(N)Oc2cc(OC(=O)C=Cc3ccccc3Cl)ccc21 2314634364 IHPMTGUYXGHGAT-MHZLTWQESA-N 486.955 5.966 50 10 JKGE N#CC1=C(N)Oc2cc(OC(=O)C=Cc3ccc(Cl)cc3)ccc2[C@@H]1c1c(F)cccc1Cl 2314634372 JNIOGXKNQOALBL-QHCPKHFHSA-N 481.310 5.969 50 10 JKGE CCC(C)(C)C[C@@H](Br)c1c(Cl)cc(Br)c(F)c1Br 2315439508 GANGOOTWGQJPJK-MRVPVSSYSA-N 465.426 7.266 50 10 JKGE CCCCCCCCCOc1ccc(C=NNC(=O)c2cccc([N+](=O)[O-])c2)cc1OCC 2322975151 LMNHKXKOAXIBQG-UHFFFAOYSA-N 455.555 5.887 50 10 JKGE COc1cccc(C=NNC(=O)Cc2cc(Cl)ccc2SC)c1OCc1ccccc1 2323683496 BERGTTQDABYHNE-UHFFFAOYSA-N 454.979 5.342 50 10 JKGE CSCC[C@H](NC(=O)OC(C)(C)C)C(=O)NN=Cc1ccc(OCc2ccc(Cl)cc2)cc1 2328796542 VHYBNUNDRWXHEA-NRFANRHFSA-N 492.041 5.016 50 10 JKGE N#CC(=C(O)CCCOc1ccc2ccccc2c1)c1nc(-c2ccc(Cl)c(Cl)c2)cs1 2331311699 PDPHZEJUNZDHLC-UHFFFAOYSA-N 481.404 7.922 50 10 JKGE COc1ccccc1OCC(O)=C(C#N)c1nc(-c2cc(Cl)cc(Cl)c2OC)cs1 2331364146 MCSKECUPACDMPK-UHFFFAOYSA-N 463.342 6.006 50 10 JKGE CCOc1ccc(OCC)c(-c2csc(C(C#N)=C(O)COc3ccccc3OCC)n2)c1 2331376446 FITUOBXBDSJWQQ-UHFFFAOYSA-N 466.559 5.878 50 10 JKGE COc1cc(-c2csc(C(C#N)=C(O)COc3ccc(Cl)cc3)n2)c(OC)cc1Cl 2331376855 CZMSEYVRLLBALO-UHFFFAOYSA-N 463.342 6.006 50 10 JKGE CCc1cccc(C)c1N1C[C@@H](C(O)=C(C#N)c2nc(-c3ccc(Cl)s3)cs2)CC1=O 2331401995 CHSJFXMKGCKFIL-HNNXBMFYSA-N 470.019 6.242 50 10 JKGE COc1cc(C=C(C#N)c2nc(-c3cc(Cl)cc(C)c3OC)cs2)cc(Br)c1O 2331474789 KPVGRHMEMFIFIN-UHFFFAOYSA-N 491.794 6.321 50 10 JKGE Brc1cc(OCc2ccccc2)ccc1[C@H](Br)c1csc2c1CCCC2 2336084846 XLALSVUAEWBLAF-QFIPXVFZSA-N 492.276 7.453 50 10 JKGE Cn1nc(Br)c(Br)c1[C@@H](Br)Cc1c(F)cccc1Cl 2338691217 PQBBGSHSTYBTMV-ZETCQYMHSA-N 475.381 5.416 50 10 JKGE Cc1cc(Br)c(F)c(Br)c1[C@H](Br)[C@@H]1CC12CCCC2 2339682404 RVOPBAFODYLFCF-JOYOIKCWSA-N 455.003 6.675 50 10 JKGE C[C@H](Cl)C[C@H]1CCCCN1Cc1ccc(I)c(Br)c1 2349846444 YKXSFNOWSXNJSJ-WCQYABFASA-N 456.593 5.426 50 10 JKGE Fc1cccc([C@H](Br)CCc2ccc(I)c(Br)c2)c1 2349857233 ULTKBSYPWCGUGT-CYBMUJFWSA-N 497.971 6.262 50 10 JKGE C[C@]1([C@H](Br)c2c(F)cc(Cl)c(Br)c2Cl)CCCC1(F)F 2360419480 AAWIAAMLNZVIIL-VXGBXAGGSA-N 454.939 7.157 50 10 JKGE CC(C)Cc1ccccc1[C@H](Br)c1ccc(OCc2ccccc2)cc1Br 2361196311 WONYBQWZOMFISQ-DEOSSOPVSA-N 488.263 7.711 50 10 JKGE Cc1cc(Br)c(F)c(Br)c1[C@@H](Cl)c1cc(F)ccc1Br 2365188545 MHZDUBYNBYUQJB-ZDUSSCGKSA-N 489.379 6.889 50 10 JKGE Cc1cc(Br)c(F)c(Br)c1[C@@H](Br)C[C@@H]1CC(C)(C)CO1 2365218051 JGZULOHWAJHSKC-ZJUUUORDSA-N 473.018 6.300 50 10 JKGE COc1c(Br)cc(C)c([C@H](Br)[C@@H]2CCCC2(F)F)c1Br 2365230418 IULXNIDVADJVBV-GZMMTYOYSA-N 476.981 6.400 50 10 JKGE Fc1ccccc1[C@@H](CBr)OCc1cc(I)ccc1Cl 2380353962 SDAPXQXXNPBLOV-OAHLLOKOSA-N 469.519 5.737 50 10 JKGE Cc1ccccc1OCC(=O)N/N=C/c1ccc(Sc2nc3ccccc3s2)c([N+](=O)[O-])c1 3073329 VYILBPRAVPEOBZ-ZMOGYAJESA-N 478.555 5.193 50 10 JKGE C/C(=N\NC(=O)COc1ccc(C(C)(C)C)cc1Br)c1ccc(-c2ccccc2)cc1 12403466 ZHHRGBFEXWPJLY-MTDXEUNCSA-N 479.418 6.333 50 10 JKGE CCCCC/C(=N\NC(=O)c1ccc(NC(=O)c2ccc(C(C)(C)C)cc2)cc1)c1ccccc1 12491895 MNZBPXHZQAHOME-QVAGMWBUSA-N 469.629 6.951 50 10 JKGE C[C@H](Sc1nnc(Cc2ccccc2)n1-c1ccccc1)C(=O)/C(C#N)=C1\Nc2ccccc2S1 21825194 FNUPUXCXGBBVHV-BLWNTKICSA-N 495.633 5.861 50 10 JKGE Cc1ccc(N[C@H](C)C(=O)N/N=C/c2ccccc2OCc2cccc(Br)c2)cc1 27528146 VLZVNUNIEHZPGP-GTPWMTBTSA-N 466.379 5.287 50 10 JKGE CCOc1cc(/C=N/NC(=O)CSc2nc3ccccc3[nH]2)ccc1OCc1ccccc1C 32520561 GDWXDYPMIAUWTM-JFLMPSFJSA-N 474.586 5.091 50 10 JKGE CCCCOc1ccc(/C=C(/C#N)C(=O)Oc2ccc(/C=C(\C#N)C(=O)OCC)cc2OCC)cc1 33378292 IRSVZCQKUXFWTA-NVPQHFGRSA-N 488.540 5.247 50 10 JKGE N#C/C(=C\c1ccc(-n2nc(-c3ccccc3)cc2-c2ccccc2)cc1)c1ccc(Cl)cc1 33568603 ASXIEKPIKHTIRY-LGUFXXKBSA-N 457.964 7.924 50 10 JKGE COc1cc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4ccc(F)cc4)ccc32)ccc1OCC(C)C 38684137 IUGXYBLUGPXBMK-SANMLTNESA-N 488.515 5.306 50 10 JKGE COc1ccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4oc5ccccc5c4C)ccc32)cc1 38687379 CDJFLAYMNGAPBE-DEOSSOPVSA-N 452.466 5.187 50 10 JKGE Cc1c(C(=O)Nc2cc(Cl)cc(Cl)c2)oc2c1/C(=N/NC(=O)c1ccc(F)cc1)CCC2 40811888 ZLNIXSRDAJXFLU-MTDXEUNCSA-N 474.319 5.757 50 10 JKGE CCc1ccc(OCC(=O)N/N=C/c2cc(Br)c(OCc3ccccc3)c(OC)c2)cc1 40912369 KTGOGDKVIKIYAM-JFLMPSFJSA-N 497.389 5.128 50 10 JKGE CCOc1ccc(Br)cc1/C=N/NC(=O)CSc1nc(-c2ccccc2)cs1 40924482 VDOFYXYNPYMREA-SSDVNMTOSA-N 476.421 5.214 50 10 JKGE O=C(CC[C@@H](O)c1ccccc1)N/N=C\c1ccc(OCc2cccc(F)c2)c(Br)c1 58889019 FYTWFBSEFABWEM-RJNBOEKGSA-N 485.353 5.131 50 10 JKGE COc1c(Cl)cc(Cl)cc1/C=N/NC(=O)COc1ccc(C(C)(C)c2ccccc2)cc1 59148577 RMRVTCCKUVDVKH-RWPZCVJISA-N 471.384 5.857 50 10 JKGE COc1ccc(Br)cc1C[C@@H](CBr)Cc1cccc(Br)c1 97184759 IDLDENAZGNSTHK-ZDUSSCGKSA-N 477.034 6.017 50 10 JKGE N#C/C(=C\c1c(OCc2ccc(Cl)cc2Cl)ccc2ccccc12)C(=O)Nc1ccc(F)cc1 101512582 FSMJMSJZWFHFQU-CPNJWEJPSA-N 491.349 7.410 50 10 JKGE O=C(N/N=C/c1ccccc1F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F 104999050 DOIHGGXHRASYBE-IMUCOVGGSA-N 484.187 5.015 50 10 JKGE Fc1c(F)c(F)c([C@H](Br)c2cc(Br)ccc2Br)c(F)c1F 109844405 PKKFBXDJRIFFPL-MRVPVSSYSA-N 494.877 6.391 50 10 JKGE COc1cc(Br)c([C@@H](Br)c2cc(Cl)ccc2Cl)cc1OC 109860307 JFIUZDWFCCBBHR-OAHLLOKOSA-N 454.973 6.257 50 10 JKGE Fc1cc(Br)ccc1CC(CBr)(CBr)c1ccccc1 118876440 RWUWFOIXUOUFKG-UHFFFAOYSA-N 464.998 5.859 50 10 JKGE O=C(N[C@@H](CBr)Cc1ccccc1)c1cc(Br)c(Br)s1 122427906 UMYWTWTVKLQSKY-SNVBAGLBSA-N 482.035 5.009 50 10 JKGE C[C@H]1COc2ccc([C@H](Br)c3csc(I)c3)cc2OC1 124440694 XBTCVCSPNWWKFA-VFZGTOFNSA-N 465.150 5.244 50 10 JKGE Brc1cc([C@@H](Br)c2cc3c(s2)CCSC3)sc1Br 130428922 ZPJTZJUVLBZFEP-NSHDSACASA-N 489.117 6.608 50 10 JKGE COc1cc([C@@H](Br)c2cc(F)cc(Br)c2)c(OC)cc1Br 134298644 HAVVIQZAEUGCAJ-HNNXBMFYSA-N 482.969 5.852 50 10 JKGE Cc1ccc2ccccc2c1[C@@H](Br)c1cc(Br)ccc1Br 161117663 PQFFXFKJDNRXNV-SFHVURJKSA-N 469.014 7.158 50 10 JKGE CC1(C)CC[C@H](CC(CBr)(CBr)c2ccc(Br)cc2)O1 161378012 QQIJYBZBCZCXQR-CQSZACIVSA-N 469.055 5.824 50 10 JKGE O=[P@@](c1ccccc1)(c1ccc(Br)cc1)[C@@H]1OB(c2ccccc2)Oc2ccccc21 195832466 POJGFQSULLRNFK-FKAPRUDGSA-N 489.114 5.266 50 10 JKGE CCCCCc1cc2c(c(O[Si](C)(C)C(C)(C)C)c1)[C@@H]1C=C(C(=O)OCC)CC[C@H]1C(C)(C)O2 206561069 HFGATAWDKZPRPB-DHIUTWEWSA-N 486.769 7.957 50 10 JKGE in-vitro CCCCOc1ccc(-c2nn(-c3ccccc3)cc2/C=C2\C(=O)N(C(C)C)C(=O)C(C#N)=C2C)cc1 214248545 GLCIRDQHVROKON-ONUIUJJFSA-N 494.595 5.719 50 10 JKGE C[C@@H](C1=C(P(C2CCCCC2)C2CCCCC2)C=CC1)P(c1ccccc1)c1ccccc1 222859784 COOHKRRYOSYZIL-VWLOTQADSA-N 474.609 8.869 50 10 JKGE Clc1c(Br)cccc1[C@H](Cl)c1cc2c(cc1Br)OCCO2 228451245 SGXGDWIADOOGDD-AWEZNQCLSA-N 452.957 5.964 50 10 JKGE COc1cc(Br)c(Oc2c(Cl)cccc2CBr)cc1Br 234914716 OBMJXCFESJOBRE-UHFFFAOYSA-N 485.397 6.561 50 10 JKGE Fc1ccc(COc2c(Br)cc(CCl)cc2Br)cc1Br 236247497 LIKHYSUHEHJYOC-UHFFFAOYSA-N 487.388 6.431 50 10 JKGE COc1ccc(C=NNC(=O)CCCCCCCCCCC(=O)NN=Cc2ccc(OC)cc2)cc1 254303939 OJPYHFULCJAXCS-UHFFFAOYSA-N 494.636 5.205 50 10 JKGE CCCCCCCCCCCC(=O)NCC(=O)NN=Cc1ccc(OCc2ccccc2)c(OC)c1 254371782 AXMIXANUJINQCB-UHFFFAOYSA-N 495.664 5.761 50 10 JKGE Cn1c(=NNC(=O)c2oc3ccccc3c2CSC2CCCCC2)sc2ccccc21 254486894 KFNJRMKGHVPYSA-UHFFFAOYSA-N 451.617 5.798 50 10 JKGE O=C(COc1ccccc1-c1ccccc1)NN=Cc1sc(Nc2ccccc2)nc1Cl 254523530 LKVYIYVCIPSIIU-UHFFFAOYSA-N 462.962 5.736 50 10 JKGE CCCCOc1ccc(C(=O)Oc2ccc(C=NNC(=O)c3ccc(OCCC)cc3)cc2)cc1 254875302 UJSRPIHRLXWGMV-UHFFFAOYSA-N 474.557 5.637 50 10 JKGE ClCc1nc2c(Br)cccc2n1-c1c(Br)cccc1Br 312578391 BTZPVOYIXUQDDF-UHFFFAOYSA-N 479.397 6.052 50 10 JKGE Cc1ccc([C@@H]2CN(C(=O)OCc3ccccc3)C[C@@H]2CCl)cc1I 382702915 PWJRXYQQOJYTGD-ROUUACIJSA-N 469.750 5.191 50 10 JKGE CC(C)(C#N)CCCOc1c(Br)cc(Br)cc1CBr 389201314 RLXOBTLARSZQBD-UHFFFAOYSA-N 454.000 5.815 50 10 JKGE Cn1cc(Br)c([C@@H](Br)c2cc(Cl)c(Br)cc2F)n1 693108836 TZLOFXBTXOUGJF-JTQLQIEISA-N 461.354 5.222 50 10 JKGE CC1(C)C[C@H](Br)C[C@@H](NC(=O)c2cc(Br)sc2Br)C1 693892904 BJJIWSQYIRXPLT-HTQZYQBOSA-N 474.056 5.345 50 10 JKGE Cl[C@H](c1ccc(C2CC2)s1)c1cc(Br)ccc1I 707968693 YZFJLMGNIWYECC-AWEZNQCLSA-N 453.570 6.321 50 10 JKGE Cc1sc([C@H](Br)c2cccc(Br)c2Cl)c(C)c1Br 724910468 VHNSDVURSCNDMT-LLVKDONJSA-N 473.455 7.028 50 10 JKGE O=C(CCc1ccccc1O)NN=Cc1ccc(Sc2nc3ccccc3s2)c([N+](=O)[O-])c1 1083909268 UJZJSRGMSKUSIN-UHFFFAOYSA-N 478.555 5.144 50 10 JKGE C=CCc1cc(/C=C(\C#N)C(=O)Nc2ccc(C)cc2)cc(OCC)c1OCc1cccc(C)c1 1084125280 RUZWDNBRJKDBKR-YZSQISJMSA-N 466.581 6.555 50 10 JKGE O=C(C=C(Sc1ccccc1)Sc1ccccc1)NN=Cc1cc([N+](=O)[O-])cc([N+](=O)[O-])c1 1084200057 FEYSGZBZVXKTEW-UHFFFAOYSA-N 480.527 5.379 50 10 JKGE COc1cc(C)c(C=NNC(=O)COc2ccc(C(C)(C)c3ccccc3)cc2)cc1C(C)C 1084506002 NATLKQIIJBCAJT-UHFFFAOYSA-N 458.602 5.982 50 10 JKGE CC(C)(C)c1ccc(-n2nc(-c3cc(C(F)(F)F)cc(C(F)(F)F)c3)cc2CCl)cc1 1614818494 LOQULXRHBHNHLD-UHFFFAOYSA-N 460.849 7.613 50 10 JKGE Cc1cccc(C(=O)NN=C2CCCc3oc(C(=O)Oc4ccc5ccccc5c4)c(C)c32)c1 1772744733 HOBCNWPRNDUWLP-UHFFFAOYSA-N 452.510 5.739 50 10 JKGE Cc1c(C(=O)Oc2ccc(-c3ccc(C#N)cc3)cc2)oc2c1C(=NNC(=O)c1cccnc1)CCC2 1772746591 WVMKERACAGPPHO-UHFFFAOYSA-N 490.519 5.211 50 10 JKGE Cc1cccc(NC(=O)c2oc3c(c2C)C(=NNC(=O)c2ccc(Cl)c([N+](=O)[O-])c2)CCC3)c1C 1772746879 BDAGCYYCOUVEPM-UHFFFAOYSA-N 494.935 5.489 50 10 JKGE COc1cccc(C(=O)NN=C2CCCc3oc(C(=O)Nc4cc(Cl)ccc4C)c(C)c32)c1 1772749268 JXFAYFLUYODIJB-UHFFFAOYSA-N 465.937 5.281 50 10 JKGE N#CC1=C(N)Oc2c(c(C(F)(F)F)nn2Cc2ccc(Cl)cc2)[C@H]1c1c(Cl)cccc1Cl 1865685758 MTCHUTAJLHMFQB-OAHLLOKOSA-N 499.707 6.129 50 10 JKGE CCCCOc1ccc([C@@H]2C(C#N)=C(N)Oc3c2c(-c2ccccc2)nn3Cc2ccc(F)cc2)cc1 1865690090 IOYCDDNMATZSQX-AREMUKBSSA-N 494.570 6.135 50 10 JKGE CCCCOc1ccc([C@@H]2C(C#N)=C(N)Oc3c2c(CCC)nn3-c2ccc(OC)cc2)cc1 1865691849 CKYGDDAGKUYTPB-XMMPIXPASA-N 458.562 5.230 50 10 JKGE CCCCCOc1ccc([C@@H]2C(C#N)=C(N)Oc3c2c(C)nn3Cc2ccc(F)cc2)cc1OC 1865695160 LNPTXKKJSHWAAM-RUZDIDTESA-N 476.552 5.175 50 10 JKGE COc1ccc(-c2nn(Cc3ccc(C)cc3)c3c2[C@@H](c2cccs2)C(C#N)=C(N)O3)cc1 1865698146 LOEXNQMDOBIYKM-JOCHJYFZSA-N 454.555 5.195 50 10 JKGE CCC[C@H](NC(=O)c1ccc(-c2cc3ccccc3[nH]2)cc1)C(=O)Nc1ccc(SC#N)cc1 1867060599 CGZXVASFQGGNCH-DEOSSOPVSA-N 468.582 5.945 50 10 JKGE CC(C)c1nc(Nc2ccc(SC#N)cc2)cc(N2C[C@@H](C)N(c3ccccc3)[C@H](C)C2)n1 1868231958 YHHAABISKYSJTG-WOJBJXKFSA-N 458.635 6.020 50 10 JKGE COc1cc(/C=C(\C#N)c2nc3cc(C)ccc3n2C)ccc1OCc1ccc(C(C)(C)C)cc1 1872728022 KLETYROTKDHIMR-XQNSMLJCSA-N 465.597 6.831 50 10 JKGE Cc1c(/C(O)=C(\C#N)c2nc(-c3ccc4ccccc4c3)cs2)cc([N+](=O)[O-])cc1[N+](=O)[O-] 1872745430 MOFFEOCXMKMCCJ-QOCHGBHMSA-N 458.455 6.038 50 10 JKGE CC[C@@H](C)[C@H](/C(O)=C(\C#N)c1nc(-c2c[nH]c3ccccc23)cs1)N1C(=O)c2ccccc2C1=O 1872753125 IGPKTOCXNJZQIP-JOWULSIMSA-N 482.565 5.795 50 10 JKGE CCOc1ccc(-c2csc(/C(C#N)=C(O)/C=C/c3cccc(Cl)c3)n2)c(OCC)c1 1872755638 XYPQHLIJXUQABQ-VPRJXVDDSA-N 452.963 6.767 50 10 JKGE COc1ccc(/C=C/C(O)=C(\C#N)c2nc(-c3cc(Cl)c(OC)cc3OC)cs2)cc1 1872756722 XEQPMUDPWYCVGN-QOUZIFTOSA-N 454.935 5.995 50 10 JKGE CC(C)(C)c1ccc(C(=O)NC/C(O)=C(\C#N)c2nc(-c3cc(Cl)ccc3Cl)cs2)cc1 1872757968 FENWHHPEMFYLNF-UZYVYHOESA-N 486.424 6.637 50 10 JKGE N#C/C(=C\c1ccc(OCc2ccc(Cl)cc2)cc1)c1nc(-c2ccc([N+](=O)[O-])cc2)cs1 1872784523 RJNNDXCHZLYLPX-DEDYPNTBSA-N 473.941 7.015 50 10 JKGE COc1cc(/C=C(\C#N)c2nc(-c3cc(Cl)ccc3OC)cs2)ccc1OCc1ccccc1 1872794988 HOEUQNBFXMAEBQ-UDWIEESQSA-N 488.996 7.124 50 10 JKGE Cc1c(Br)sc([C@H](Br)c2cc(F)c(F)c(F)c2)c1Br 1922887057 ZPBIECSTKBHLEC-SECBINFHSA-N 478.953 6.483 50 10 JKGE Cc1c(Br)sc([C@@H](Br)C[C@H]2CCCC2(F)F)c1Br 1922920903 LNLQRCXNSKKKNI-SFYZADRCSA-N 467.011 6.843 50 10 JKGE Clc1ccsc1[C@@H](Br)c1sc(Br)cc1Br 1922921257 PAJOHPNYSUPHQM-ZETCQYMHSA-N 451.430 6.472 50 10 JKGE CC1(C)C[C@@H]1CC[C@H](Br)c1c(Br)sc(Br)c1Cl 1923066022 KRVDFBBFDAWCHY-BQBZGAKWSA-N 465.476 7.189 50 10 JKGE FC(F)(F)C[C@@H](Br)c1c(Br)sc(Br)c1Cl 1923067856 JRVVQCBVPNSNTI-UWTATZPHSA-N 451.327 6.315 50 10 JKGE FC1(F)[C@@H]([C@@H](Br)c2c(Br)sc(Br)c2Cl)C12CC2 1923071388 ISDYTFKBVOGRKI-NJGYIYPDSA-N 471.386 6.408 50 10 JKGE Clc1sc(Cl)c([C@@H](Br)c2cccc(Br)c2Cl)c1Cl 1925587000 FSFKVBOFYZKBOR-ZETCQYMHSA-N 469.840 7.609 50 10 JKGE FC(F)(F)c1ccc([C@@H](Br)c2c(Cl)sc(Br)c2Cl)cc1 1925597041 ARGYGGNATGMNMM-MRVPVSSYSA-N 468.947 7.321 50 10 JKGE O=C(N[C@@H](CBr)CC1CCCC1)c1ccc(I)c(Cl)c1 1926734363 DAOJXYBVOZBNFZ-GFCCVEGCSA-N 470.576 5.018 50 10 JKGE C[C@@H](Cl)c1nc2cc(I)c(F)cc2n1-c1cscc1Br 1926848056 JOZPGBPHKXDOSR-ZCFIWIBFSA-N 485.547 5.893 50 10 JKGE Cc1nc2c(cc1Br)nc(CCl)n2CCCN(Cc1ccccc1)Cc1ccccc1 1947573951 UORDOIGDEJFTGL-UHFFFAOYSA-N 497.868 6.334 50 10 JKGE Cl[C@@H](C[C@@H]1C[C@H]2C[C@H]2C1)c1c(Br)sc(Br)c1Br 1950081225 QWKIQLLUNWCXHI-YWIQKCBGSA-N 463.460 6.752 50 10 JKGE Cc1nc([C@H](Br)c2cc(Br)c(Cl)s2)c(Br)s1 1980605962 RVQYKSTXUOJKKE-ZCFIWIBFSA-N 466.445 6.176 50 10 JKGE CCc1nc(C(=O)N(Cc2ccccc2)C2(CBr)CCC2)c(Br)s1 2003569693 PCCGSQDPLYKJMQ-UHFFFAOYSA-N 472.246 5.428 50 10 JKGE Cc1cc([C@H](Cl)c2c(Br)sc(Br)c2Br)oc1C 2015324349 AFOGQPDQSQMOMU-VIFPVBQESA-N 463.416 6.574 50 10 JKGE Cl[C@H](c1c(Br)sc(Br)c1Br)[C@@]12CC[C@@H](CO1)C2 2021889563 LDYHNSLSZDSTMK-MEQXXCBNSA-N 465.432 5.885 50 10 JKGE Brc1cc2c(c([C@@H](Br)c3sncc3Br)c1)OCC2 2028522983 AZQWVTQXZJKADS-SNVBAGLBSA-N 453.981 5.087 50 10 JKGE Brc1cc([C@H](Br)c2ccsc2Br)cc2c1OCC2 2030024096 ZTOMQIYKXBKVKL-NSHDSACASA-N 452.993 5.692 50 10 JKGE CCC[C@@H](CCBr)CNC(=O)c1csc(Br)c1Br 2032953792 QFLFOEXBZWMAJK-QMMMGPOBSA-N 462.045 5.204 50 10 JKGE Cc1cc(Br)sc1[C@H](Br)Cc1ccc(Br)cc1F 2038509420 RDCYKCJKCLVFKD-SNVBAGLBSA-N 457.000 6.399 50 10 JKGE Cc1cc([C@H](Br)c2cc(Br)c(Cl)s2)c(C)cc1Br 2052450181 JTDKCCDTXHRSJK-LBPRGKRZSA-N 473.455 7.028 50 10 JKGE Cc1cccc([C@@H](Br)c2ccc(Br)cc2Br)c1Cl 2083337016 GRTWHBDKYHYEII-ZDUSSCGKSA-N 453.399 6.658 50 10 JKGE COc1ccc([C@H](Br)c2sc(Br)c(C)c2Br)cc1Cl 2107098326 IAAAEURWQRKYEU-NSHDSACASA-N 489.454 6.728 50 10 JKGE FC1(F)CCCCC[C@H]1[C@@H](Br)c1c(Cl)sc(Br)c1Cl 2108666219 UVEVFQDKCDWJEY-POYBYMJQSA-N 457.005 7.469 50 10 JKGE CC1(C)CCN(Cc2cc(Br)ccc2Br)C[C@@H]1CBr 2118524643 LKRIQPQQXLYIBL-LBPRGKRZSA-N 454.044 5.455 50 10 JKGE Cc1c(Br)sc([C@@H](Cl)c2cc(Cl)c(F)cc2F)c1Br 2122802843 STYIJTLAKHDYHO-JTQLQIEISA-N 450.957 6.841 50 10 JKGE CO[C@H]1CC[C@@H](C(CBr)(CBr)c2ccc(Br)cc2)C1 2130615641 AECZFRCIDGWMTN-OCCSQVGLSA-N 455.028 5.292 50 10 JKGE Cc1cc(Br)c(C)c([C@H](Br)C[C@@H]2CO[C@H](C)C2)c1Br 2136369206 BZEQAJNGYVPVEX-IRUJWGPZSA-N 455.028 6.080 50 10 JKGE Cc1cc(Br)c(C)c([C@H](Br)[C@H]2CCCC2(F)F)c1Br 2136379549 LNEWGFPTLRQQJN-NOZJJQNGSA-N 460.982 6.700 50 10 JKGE Cc1cc(Br)c(C)c([C@@H](Br)C23CC(C2)[C@H](C)O3)c1Br 2136383269 XIDQNUQBALZJFH-AYFMIFPQSA-N 453.012 5.832 50 10 JKGE Cc1c(Br)ccc([C@H](Cl)Cc2ccc(Br)cc2)c1Br 2138865401 QQNAIZOISNFTQZ-CQSZACIVSA-N 467.426 6.805 50 10 JKGE Cc1cc([C@@H](Cl)c2ccc(Br)cc2I)c(C)cc1F 2142292041 QMUSLXAFKGAUQF-HNNXBMFYSA-N 453.520 6.138 50 10 JKGE Clc1cc(CN2[C@H]3CCC[C@H](Br)[C@H]2CC3)ccc1I 2142950827 VENRJJABMQHKLR-SLEUVZQESA-N 454.577 5.225 50 10 JKGE Clc1ccc(I)c(CN2CCC[C@@H]3CC[C@@H](Br)C[C@@H]32)c1 2167009935 IXEGJSGWZFXMKI-KFNAQCHYSA-N 468.604 5.473 50 10 JKGE CN(CC[C@H](Br)c1ccccc1)c1ncc(Br)cc1Br 2168108340 FHDKRHFMUHCTAM-ZDUSSCGKSA-N 463.011 5.569 50 10 JKGE CC[C@](CBr)(Cc1cc(Br)ccc1Br)c1ccccc1 2175146738 HLZWHHJWBMBRFL-QGZVFWFLSA-N 461.035 6.497 50 10 JKGE Brc1ccc(Br)c(CN2CCC[C@@H]3CC[C@H](Br)C[C@H]32)c1 2175153974 DCNPCQLBURRBDJ-DIOULYMOSA-N 466.055 5.740 50 10 JKGE CCCC(CBr)(CCC)CN=[S@@]1(=O)CCN(C(=O)OC(C)(C)C)CC1(C)C 2189324908 KJCGBIHZYULJCB-HHHXNRCGSA-N 467.514 5.465 50 10 JKGE COc1cc([C@@H](Br)[C@@H](C)c2ccncc2Br)ccc1Br 2192156068 NZASJIGXFKXELR-VFZGTOFNSA-N 463.995 5.855 50 10 JKGE Cc1cc(Br)c(C)c([C@@H](Br)C(C)(C)C2CCCC2)c1Br 2201065428 QJAJBABKTNCEAF-MRXNPFEDSA-N 467.083 7.481 50 10 JKGE Cc1cc(Br)c(C)c([C@H](Br)c2ccc(F)cc2F)c1Br 2201071535 RCEYOKALVOTVOP-OAHLLOKOSA-N 468.961 6.591 50 10 JKGE Cc1cc(Br)c(C)c([C@@H](Br)[C@@]2(C)CCCC2(F)F)c1Br 2201080402 XXRAJVLOKKQMIG-ZIAGYGMSSA-N 475.009 7.090 50 10 JKGE Fc1cc(Br)c([C@H](Cl)c2ccc(Cl)c(Br)c2)c(F)c1Cl 2201610644 IXGAQTJYXNCWDI-LLVKDONJSA-N 465.346 7.125 50 10 JKGE Fc1cc(Br)c([C@@H](Cl)c2cc(Br)ccc2Cl)c(F)c1Cl 2201610947 LSAYNYAQDRRHSX-NSHDSACASA-N 465.346 7.125 50 10 JKGE Cc1c(Br)ccc([C@@H](Br)[C@]2(C)CCCC(F)(F)C2)c1Br 2203688403 TUHBRDDJTAZPPV-ZIAGYGMSSA-N 475.009 7.172 50 10 JKGE O=[N+]([O-])c1cc(Br)c(OCCCCCI)c(Br)c1 2220214375 IUVWFSUKONXNJH-UHFFFAOYSA-N 492.933 5.104 50 10 JKGE C[C@@H]1CN(CCCCCI)c2ccccc2CN1C(=O)OC(C)(C)C 2220216581 SLSNQHZXWRXUGH-MRXNPFEDSA-N 458.384 5.238 50 10 JKGE COc1cc(Br)c([C@@H](Cl)c2sccc2I)cc1C 2220442827 HJUJJWDNSFNZCI-GFCCVEGCSA-N 457.558 5.760 50 10 JKGE COC12CCC([C@H](Br)c3sc(Br)cc3Br)(CC1)C2 2223613095 IVPFZWIUVGZFIE-PNESKVBLSA-N 459.041 6.058 50 10 JKGE CO[C@@H]1CC[C@H]1C[C@H](Br)c1c(Br)cc(Cl)c(Cl)c1Cl 2224306394 CEJFOZQHBXXDDL-MHYGZLNHSA-N 451.413 6.660 50 10 JKGE C[C@@H]1CCO[C@@H]1C[C@H](Br)c1c(Br)cc(Cl)c(Cl)c1Cl 2224321702 MSMVQXIJMVLHCH-KDILMLJESA-N 451.413 6.660 50 10 JKGE CC1(C)OCCC[C@H]1[C@H](Br)c1cc(Br)c(Br)cc1F 2225618696 ZQOQXTCQBPQEEH-TVQRCGJNSA-N 458.991 5.992 50 10 JKGE Cc1cc(Br)c([C@H](Br)[C@@H]2COC(C)(C)C2)c(C)c1Br 2227350697 YBMHIIFVXMFTOI-IINYFYTJSA-N 455.028 6.080 50 10 JKGE Cc1nn(C)c(Br)c1[C@@H](Br)Cc1ccc(Br)cc1Cl 2229145938 STTQLXPAHYSAPL-JTQLQIEISA-N 471.418 5.586 50 10 JKGE COc1ccc(Cl)cc1[C@@H](Br)c1cc(C)ccc1I 2232220775 WSWLCKODKAIGOM-HNNXBMFYSA-N 451.529 5.746 50 10 JKGE FC1(F)[C@H]2CCC[C@@H]1C[C@H]([C@H](Br)c1sc(Br)cc1Br)C2 2233639698 NVTRHOXRGUZPPE-NHRVJRKFSA-N 493.049 7.171 50 10 JKGE Cc1cc(F)c(Br)cc1C(=O)N(Cc1ccccc1)[C@H](C)CCBr 2249337331 MWPVTAPVHUUWTE-CQSZACIVSA-N 457.181 5.713 50 10 JKGE Fc1cccc(I)c1[C@@H](Br)Cc1ccc(Cl)c(Cl)c1 2267653715 WAYUOEKGMJLXNN-VIFPVBQESA-N 473.938 6.416 50 10 JKGE CC1([C@@H](Br)c2c(F)cc(Br)c(F)c2Br)CC(F)(F)C1 2272855882 PFFFUDVLVKOSIB-JTQLQIEISA-N 468.908 6.361 50 10 JKGE Fc1ccc(Br)cc1[C@@H](Br)c1cc2sc(Br)cc2s1 2278101372 NWHILDUBJNGFCQ-CYBMUJFWSA-N 485.035 7.111 50 10 JKGE Cc1cc(Br)c([C@@H](Br)c2cc(Cl)ccc2Br)c(C)c1F 2279145775 BVSROHUYPYNEJV-AWEZNQCLSA-N 485.416 7.105 50 10 JKGE CC(C)c1cc(Br)cc([C@H](Br)Cc2cccc(Br)c2)c1 2280731656 QUFSWARVOIWBHH-QGZVFWFLSA-N 461.035 7.014 50 10 JKGE Fc1cc(Br)c(F)c(Br)c1[C@@H](Br)Cc1ccccc1Cl 2288348092 BJPILRVAORZKCJ-QMMMGPOBSA-N 489.379 6.822 50 10 JKGE Cc1cc([C@@H](Br)Cc2cc(Br)cc(Br)c2)cc(C)c1F 2295274769 NWSCPQUJHIMLDM-HNNXBMFYSA-N 464.998 6.646 50 10 JKGE CCOC(=O)c1c(NC(=O)C(C#N)=Cc2ccc(-c3ccc(C)cc3)o2)sc2c1CC[C@@H](C)C2 2296500359 KTUNNOVWZSHKBU-QGZVFWFLSA-N 474.582 6.164 50 10 JKGE O=C(NN=Cc1ccc(N2N=C(C=Cc3ccccc3)C[C@@H]2c2ccccc2)cc1)c1ccncc1 2297413534 WLZZNVJPWDXDQS-GDLZYMKVSA-N 471.564 5.866 50 10 JKGE COc1ccc([C@@H](Br)c2cc(Br)ccc2OCc2ccccc2)s1 2299531595 XILQPWFMXYVSQY-IBGZPJMESA-N 468.210 6.583 50 10 JKGE FC(F)(F)[C@@H]1C[C@H]1C[C@@H](Br)c1sc(Cl)cc1I 2300950059 VMXWZIVCNICDTP-KVQBGUIXSA-N 459.496 6.031 50 10 JKGE COc1cc(C=C(C#N)c2ccc([N+](=O)[O-])cc2)cc(Br)c1OCc1ccccc1F 2313540929 DJEWKTDAOKWFLS-UHFFFAOYSA-N 483.293 6.148 50 10 JKGE N#CC(=Cc1cn(Cc2ccc(Cl)c(Cl)c2)c2ccccc12)C(=O)Nc1cccc([N+](=O)[O-])c1 2313676652 PEIUUWRSIQYWGB-UHFFFAOYSA-N 491.334 6.450 50 10 JKGE CCOc1cc(C=C(C#N)C(=O)NCc2ccc(OC)cc2)ccc1OCc1ccccc1Cl 2313681212 UOGOLAGRVARNBC-UHFFFAOYSA-N 476.960 5.550 50 10 JKGE CCOc1cc(C=C(C#N)C(=O)Nc2cc(Cl)ccc2C)ccc1OCc1ccccc1F 2313681230 WBIGLKSXNKVHHT-UHFFFAOYSA-N 464.924 6.311 50 10 JKGE CCOC(=O)c1c(NC(=O)C(C#N)=Cc2ccc(OC)c(OC(C)C)c2)sc2c1CC[C@@H](CC)C2 2314571615 IQAYFTLZBUUCSV-QGZVFWFLSA-N 496.629 5.781 50 10 JKGE N#CC(=Cc1ccc2noc(-c3ccccc3)c2c1)c1nc(-c2ccc3ccccc3c2)cs1 2314572312 YIAJPQBUEMPKIY-UHFFFAOYSA-N 455.542 7.836 50 10 JKGE CC1=C(C#N)C(=O)N(C2CCCC2)C(=O)C1=Cc1cn(-c2ccccc2)nc1-c1ccc(F)cc1 2314617059 QARUEDCISOTTLV-UHFFFAOYSA-N 466.516 5.213 50 10 JKGE Cc1ccc(C=CC(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@H]3c2ccc(C(C)(C)C)cc2)cc1 2314634272 UQZZAKZUJKRDIY-NDEPHWFRSA-N 464.565 6.130 50 10 JKGE Cc1sc([C@H](Cl)c2c(Br)c(Br)nn2C)c(C)c1Br 2316832309 JBZCRKVSTYVORW-MRVPVSSYSA-N 477.447 5.714 50 10 JKGE CCCOc1ccc(-c2csc(C(C#N)=C(O)[C@@H]3CC(=O)N(Cc4ccccc4)C3)n2)cc1 2331318551 XTTBQEAHKRRJAK-HXUWFJFHSA-N 459.571 5.440 50 10 JKGE COc1ccc(C)cc1-c1csc(C(C#N)=C(O)c2ccccc2I)n1 2331324247 ACRIUMRCQVCZHI-UHFFFAOYSA-N 474.323 5.682 50 10 JKGE CC(C)c1ccc(-c2csc(C(C#N)=C(O)[C@@H](C(C)C)N3C(=O)c4ccccc4C3=O)n2)cc1 2331340497 HSZTWSYNBUEQOH-HSZRJFAPSA-N 471.582 6.047 50 10 JKGE COc1ccc(-c2csc(C(C#N)=C(O)CCCOc3ccc(C(C)(C)C)cc3)n2)c(C)c1C 2331362290 SRENZAVSTYAQCO-UHFFFAOYSA-N 476.642 7.385 50 10 JKGE CCc1ccc(OCCCC(O)=C(C#N)c2nc(-c3cc(OC)c(Cl)cc3OC)cs2)cc1 2331376829 APATVKNZSSCJDF-UHFFFAOYSA-N 485.005 6.695 50 10 JKGE COc1c(C)cc(Cl)cc1-c1csc(C(C#N)=C(O)[C@@H](C)Oc2ccccc2C(C)C)n1 2331392300 ONGKICOPIPTFNO-MRXNPFEDSA-N 469.006 7.164 50 10 JKGE COc1ccc(-c2csc(C(C#N)=C(O)C=Cc3ccc(OC(C)=O)c(OC)c3)n2)cc1Cl 2331398365 MMJKOFOXTMCMON-UHFFFAOYSA-N 482.945 5.912 50 10 JKGE CCOc1cc(C=C(C#N)c2nc(-c3cccc(Cl)c3)cs2)ccc1OCc1ccccc1 2331439852 WLCZLRVPBYXZAF-UHFFFAOYSA-N 472.997 7.505 50 10 JKGE COc1ccc(C)cc1-c1csc(C(C#N)=Cc2cc(Br)c(OC(C)C)c(OC)c2)n1 2331449382 TZMFKCMQJCDSEV-UHFFFAOYSA-N 499.430 6.750 50 10 JKGE COc1ccc(-c2csc(C(C#N)=Cc3ccc(OCc4ccc(C)cc4)cc3)n2)c(OC)c1OC 2331491477 JZKBIOARKFRYFN-UHFFFAOYSA-N 498.604 6.788 50 10 JKGE COc1cccc(F)c1[C@H](Br)c1cc(Br)ccc1OCc1ccccc1 2336046667 GEMIINUHTMRSPW-OAQYLSRUSA-N 480.171 6.660 50 10 JKGE Fc1c(Br)cc(Cl)c([C@H](Br)[C@@H]2[C@H]3CCCO[C@H]32)c1Br 2337084837 QHBYUZXIINYLHZ-FCKPFGHYSA-N 477.393 5.865 50 10 JKGE CCN[C@H](c1c(Cl)cc(Br)c(F)c1Br)[C@H]1C[C@@H](Br)C1 2337103624 KJDRQDFWPXJUIR-NFNXHLSSSA-N 478.425 5.828 50 10 JKGE Fc1cc(CBr)c(Oc2cc(I)ccc2Cl)cc1Cl 2337300689 FJDHAJGSJHQHTN-UHFFFAOYSA-N 475.910 6.424 50 10 JKGE COc1c(Br)cc(C)c([C@H](Br)C[C@@H](C)C2CC2)c1Br 2339639888 RMXYAGDDXVXIJT-LDYMZIIASA-N 455.028 6.401 50 10 JKGE CCCN[C@H](c1c(C)cc(Br)c(F)c1Br)[C@H]1C[C@@H]1Br 2339651756 SERZABNVSVEKQK-FZNYLWTLSA-N 458.007 5.483 50 10 JKGE Clc1ccc(C[C@@H](CBr)C2CCCCCC2)c(I)c1 2341053062 VZQAGUPBZKHRPP-AWEZNQCLSA-N 455.605 6.469 50 10 JKGE C[C@H](c1ccncc1F)[C@H](Br)c1ccc(I)c(Br)c1 2344694929 HNTROSSERPJCGK-CLAHSXSESA-N 498.959 5.828 50 10 JKGE Fc1cccc([C@@H](Br)CCc2ccc(I)c(Br)c2)c1 2349857237 ULTKBSYPWCGUGT-ZDUSSCGKSA-N 497.971 6.262 50 10 JKGE Brc1cc(OCc2ccccc2)ccc1[C@H](Br)[C@@H]1CCC[C@@H]2CCCC[C@@H]21 2361196109 VASUXIRFRBUQJL-IKQBDLNTSA-N 492.295 8.071 50 10 JKGE Fc1c(Br)cc(Cl)c([C@H](Cl)[C@@]23COC[C@H]2C3(F)F)c1Br 2362232648 QILORDZLFGVMRZ-LIEZGIJOSA-N 454.895 5.566 50 10 JKGE Cc1cc(Br)c(F)c(Br)c1[C@H](Br)c1ccc(F)cc1F 2365179676 PKGWFZYKZYYJBK-GFCCVEGCSA-N 472.924 6.422 50 10 JKGE CCOc1ccc2ccccc2c1/C=N/NC(=O)COc1c(C)cc(Br)cc1C 3075046 XQZTVMBWYMHYMU-DHRITJCHSA-N 455.352 5.147 50 10 JKGE N#C/C(C(=O)Nc1ccc(F)cc1)=C1\S[C@H](Cc2ccc(Cl)cc2)C(=O)N1c1ccccc1 13583467 FXUZWMRYKPTCJO-FNBPXTNNSA-N 477.948 5.544 50 10 JKGE COc1cccc(CS/C(Nc2cccc(Cl)c2C)=C(\C#N)S(=O)(=O)c2ccccc2)c1 20325509 KRVOENAAJCKZIA-WCWDXBQESA-N 485.030 6.169 50 10 JKGE N#C/C(=C/c1ccc(OC(=O)CCCOc2ccc(Cl)cc2Cl)cc1)c1ccccc1F 31901671 CPRSNUMNCSSPCF-JXAWBTAJSA-N 470.327 6.961 50 10 JKGE COc1cc(/C=C(/C#N)c2ccc(Br)cc2)ccc1Oc1ccc([N+](=O)[O-])cn1 33305221 BKAAVYISRYLBLH-YBEGLDIGSA-N 452.264 5.617 50 10 JKGE COc1cc(/C=C(/C#N)S(=O)(=O)c2ccccc2)ccc1OCc1ccc(Cl)cc1Cl 35362916 LZBAWOSFLZCLKB-JAIQZWGSSA-N 474.365 5.919 50 10 JKGE CCOc1ccccc1[C@@H]1C(C#N)=C(N)Oc2cc(OC(=O)c3ccc(Br)cc3)ccc21 38650446 AKZSDKQJSZCKRZ-QHCPKHFHSA-N 491.341 5.285 50 10 JKGE CCOc1ccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4ccc(OC(C)C)cc4)ccc32)cc1 38685834 XZESYWXPRKVIOL-AREMUKBSSA-N 470.525 5.310 50 10 JKGE CCOc1ccc(-c2nn(-c3ccccc3)cc2/C=C(\C#N)C(=O)Nc2ccccc2Cl)cc1C 39983472 SUZBXQYVCKAWKU-LTGZKZEYSA-N 482.971 6.446 50 10 JKGE Nc1c(NNC(=O)c2ccc(Cl)cc2Cl)ncnc1Nc1ccc(Cl)c(Cl)c1 40704201 MAXWKOOLKPPAGJ-UHFFFAOYSA-N 458.136 5.173 50 10 JKGE Cc1c(C(=O)Nc2ccccc2F)oc2c1/C(=N/NC(=O)c1ccccc1Br)CCC2 40812826 GRJIMZSSWKSORE-OVVQPSECSA-N 484.325 5.212 50 10 JKGE CCCCCOc1ccc(/C=N/NC(=O)CSc2nc(-c3ccccc3)cs2)cc1OCC 40924584 UQHIMWYOVMDDQB-WGOQTCKBSA-N 483.659 6.020 50 10 JKGE CC(C)(C)c1ccc(C(=O)N/N=C/c2ccccc2OCc2cccc(Br)c2)cc1 48573370 VBUFBYYTZQDVHT-JVWAILMASA-N 465.391 6.090 50 10 JKGE N#C/C(=C/c1ccc(OCc2cccc(Cl)c2)cc1)C(=O)Nc1ccc(Cl)c(Cl)c1 59117496 UKSHFVSEMUTBNO-YVLHZVERSA-N 457.744 6.771 50 10 JKGE O=C(N/N=C1/C(=O)N(C(c2ccccc2)c2ccccc2)c2ccccc21)c1cccc(Cl)c1 59147724 VDDIYBBHFSRQBV-QCWLDUFUSA-N 465.940 5.610 50 10 JKGE Cc1ccc(-c2ccccc2)n1-c1ccc(C(=O)N/N=C/c2cc(Cl)cc(Cl)c2O)cc1 59304320 DFJFVUONCUCQCO-RWPZCVJISA-N 464.352 6.229 50 10 JKGE COc1cc(/C=C(\C#N)C(=O)Nc2cccc(C)c2)ccc1OCc1ccc(Cl)c(Cl)c1 59432812 FQYGJRJVFSBAPN-YBFXNURJSA-N 467.352 6.435 50 10 JKGE Cc1cc(C)c(/C(CSc2nc3ccccc3[nH]2)=N\NC(=O)c2cccc(Cl)c2)cc1C 59460692 JONAXODJIJTPCX-FAJYDZGRSA-N 463.006 6.068 50 10 JKGE O=C(N/N=C\c1ccc(Oc2ccc(C(F)(F)F)cc2[N+](=O)[O-])cc1)c1ccccc1[N+](=O)[O-] 59462925 MYPGECJRWCJLRJ-ROTLSHHCSA-N 474.351 5.078 50 10 JKGE Cc1cccn2c(=O)c(/C=C(/C#N)c3nc4ccccc4s3)c(Oc3ccc(F)cc3)nc12 85475039 IPZHFKHGSYRBNT-SSZFMOIBSA-N 454.486 5.608 50 10 JKGE CC(C)(C)c1ccc([C@H]2C[C@H]2C(=O)N/N=C/c2ccc(-c3ccc(Cl)c(Cl)c3)o2)cc1 96572345 JMTPSXFSBCCNEQ-FBUPDLHWSA-N 455.385 6.805 50 10 JKGE CCCCCCCCOc1ccc(OCC(=O)N/N=C/c2ccccc2OC(=O)CC)cc1 100957332 HARPQDHLKWYRRZ-ZXVVBBHZSA-N 454.567 5.270 50 10 JKGE O=C1CCc2cc([C@@H](Br)c3cc(Br)c(Br)s3)ccc2N1 128549879 DHOHDBOYDXBNCG-CYBMUJFWSA-N 480.019 5.642 50 10 JKGE Clc1cc([C@@H](Br)c2cc3c(cc2Br)OCCO3)ccc1Br 129171259 BNDDDAPFIMEEIE-OAHLLOKOSA-N 497.408 6.121 50 10 JKGE COc1cc(Br)c([C@H](Br)c2cc(C)ccc2Br)cc1OC 161759553 GGBJEOPOEXEABG-MRXNPFEDSA-N 479.006 6.022 50 10 JKGE Cc1ccc(CCN(C(=O)CCl)[C@H](C(=O)N[C@@H]2CCC[C@@H](C)[C@@H]2C)c2ccc(F)cc2)cc1 169692680 ZFQCSMFPQUUXPQ-WNBHKESASA-N 473.032 5.426 50 10 JKGE COc1ccc([C@@H](Cl)c2cc(Br)cc(Br)c2)cc1Br 234974834 WDZXXSQHELDNOY-CQSZACIVSA-N 469.398 6.311 50 10 JKGE Cc1cccc([C@@H](Br)Cc2nc3ccccc3s2)c1I 235993413 AUTMELKRICTCKH-LBPRGKRZSA-N 458.162 5.888 50 10 JKGE Clc1ccc(I)c([C@@H](Br)Cc2ccc(Cl)c(Cl)c2)c1 236068892 PGOQWPBDPKOFCP-NSHDSACASA-N 490.393 6.930 50 10 JKGE CC(=NNC(=O)c1sc2cc(F)ccc2c1Cl)c1cccc(NC(=O)C2CCCC2)c1 252604874 GETAKCCPAQHOOY-UHFFFAOYSA-N 457.958 5.977 50 10 JKGE CCOc1ccc([C@H](Cl)c2sccc2I)cc1Br 311232797 RQSCYLIQVKIYIP-LBPRGKRZSA-N 457.558 5.842 50 10 JKGE COc1ccc(Br)cc1[C@H](Br)c1cc(F)c(Br)cc1F 312264494 PCJQZJWNFPWZGC-CQSZACIVSA-N 470.933 5.983 50 10 JKGE Clc1cccc(C[C@@H](Br)c2cc(I)cc3c2OCC3)c1 312264919 FITWNPYEYYJQKF-OAHLLOKOSA-N 463.540 5.558 50 10 JKGE CN(C[C@H]1CCN(Cc2ccccc2)C1)c1cc(Br)ccc1CBr 383120310 FWFZXWFNEOWLIU-QGZVFWFLSA-N 452.234 5.302 50 10 JKGE COc1ccc(Br)cc1[C@@H]1CN(Cc2ccccc2)C[C@H]1CI 394767135 CMLWGVRNORUWTE-CRAIPNDOSA-N 486.191 5.108 50 10 JKGE COc1c(C)cc(Br)c(C)c1[C@@H](Br)c1nn(C)cc1Br 693042591 FQAHIFMZCOEVGJ-GFCCVEGCSA-N 466.999 5.055 50 10 JKGE C[C@H](CBr)[C@H]1CCCCN1C(=O)c1cc(Br)cc(Br)c1 696708273 CECYZMMXKPIDDM-QMTHXVAHSA-N 468.027 5.237 50 10 JKGE FC(F)(F)C(F)(F)C[C@@H](Br)c1cc(I)cc2c1OCC2 713188544 RUSLVYRROYOYOI-SECBINFHSA-N 471.001 5.250 50 10 JKGE COc1cccc(NC(=O)[C@H](c2cccs2)N(C(=O)CCl)c2cccc(C(F)(F)F)c2)c1 725240316 YSCWJJMFCSBZBD-FQEVSTJZSA-N 482.911 5.727 50 10 JKGE COc1cccc(/C=C(/C#N)C(=O)Nc2cc([N+](=O)[O-])ccc2Cl)c1OCc1cccc(Cl)c1 1083946857 AVDSRLXAIKBDEO-BOPFTXTBSA-N 498.322 6.035 50 10 JKGE Cc1c(C=NNC(=O)c2ccccc2Br)c2ccccc2n1Cc1ccc(Cl)cc1 1084016054 LHLGDHKLDAESPO-UHFFFAOYSA-N 480.793 6.178 50 10 JKGE Cc1cc(C)c(C(CSc2nc3ccccc3o2)=NNC(=O)c2ccccc2Cl)cc1C 1084101741 NHBROXNQSGMUBG-UHFFFAOYSA-N 463.990 6.333 50 10 JKGE C=CCOc1c(Cl)cc(C=NNC(=O)CC[C@@H](O)c2ccc(OCC)cc2)cc1Br 1084300198 BUAUJFHQNLGQLY-HXUWFJFHSA-N 495.801 5.030 50 10 JKGE Cc1ccc(Cn2cc(/C=C(\C#N)C(=O)N3CCN(c4ccccc4)CC3)c3ccccc32)cc1 1084398108 VKZDVXDLVOWTQB-NCELDCMTSA-N 460.581 5.254 50 10 JKGE CCCCOc1ccc([C@H]2CN(C(=O)OC(C)(C)C)C[C@H]2CI)cc1 1614614832 KCMXXUBTPPIBSV-SJLPKXTDSA-N 459.368 5.251 50 10 JKGE O=C(NNC1=C[C@H](c2ccccc2)N(c2ccc(Cl)cc2Cl)C=N1)c1cccc(O)c1 1614987011 AQEQWIFNZOAUFS-OAQYLSRUSA-N 453.329 5.065 50 10 JKGE CCCCOc1ccc([C@@H]2C(C#N)=C(N)Oc3c2c(-c2ccc(OC)cc2)nn3-c2ccccc2)cc1 1865690298 NTASKPYWXJXFRX-AREMUKBSSA-N 492.579 5.945 50 10 JKGE CCCOc1ccc([C@H]2C(C#N)=C(N)Oc3c2c(-c2ccccc2)nn3-c2ccccc2)cc1OCC 1865691725 ZMIJRTIVNGOALT-SANMLTNESA-N 492.579 5.945 50 10 JKGE CCCCCOc1ccc([C@@H]2C(C#N)=C(N)Oc3c2c(-c2ccc(OC)cc2)nn3CC)cc1 1865694556 ZFMPCBOIBCEUCZ-HSZRJFAPSA-N 458.562 5.366 50 10 JKGE CCCCCOc1ccc([C@H]2C(C#N)=C(N)Oc3c2c(C(F)(F)F)nn3CC(C)C)cc1OC 1865697058 VWANUOFZKXURKD-IBGZPJMESA-N 478.515 5.354 50 10 JKGE N#CC1=C(N)Oc2c(c(C(F)(F)F)nn2-c2cccc3ccccc23)[C@@H]1c1c[nH]c2ccccc12 1865700086 KTLVIPQYCUPLOW-NRFANRHFSA-N 471.442 5.744 50 10 JKGE COc1ccc(-c2nn(-c3ccccc3Cl)c3c2[C@H](c2ccc(C(=O)O)cc2)C(C#N)=C(N)O3)cc1 1865709480 VWHLSVLYPRTCCG-JOCHJYFZSA-N 498.926 5.118 50 10 JKGE C[C@@H](Cl)C(=O)N(c1ccc(OCc2ccccc2)cc1)C1CCN(Cc2ccccc2)CC1 1865855026 WSZBZENHLLSCEN-JOCHJYFZSA-N 463.021 5.891 50 10 JKGE COC(=O)c1c(NC(=O)/C(C#N)=C/c2ccc(OC)cc2)sc(C)c1-c1ccc(C)c(C)c1 1866126517 WVVCPXXYITYWSP-DEDYPNTBSA-N 460.555 5.681 50 10 JKGE CC(C)[C@@H](CC(=O)N[C@H](C(=O)Nc1ccc(SC#N)cc1)c1ccccc1)c1ccc(Cl)cc1 1866764251 UXKMKYJTILINER-RSXGOPAZSA-N 492.044 6.539 50 10 JKGE COC(=O)c1ccc(Oc2c(C)oc3cc(OCc4ccc(CCl)cc4)ccc3c2=O)cc1 1871438226 RAHUOQBPIGWYPH-UHFFFAOYSA-N 464.901 5.998 50 10 JKGE COc1cc(/C=C(\C#N)c2nc3cc(C)ccc3n2C)ccc1OC(=O)c1cccc([N+](=O)[O-])c1 1872728290 VXNGZLSGUQBLPR-XDHOZWIPSA-N 468.469 5.082 50 10 JKGE CCOc1cc(/C=C(\C#N)c2ccc(Cl)cc2F)ccc1OCc1c(Cl)cccc1Cl 1872729616 UXSLORIRDDIDLM-MHWRWJLKSA-N 476.762 7.828 50 10 JKGE Cc1cccc(C)c1OCCC/C(O)=C(\C#N)c1nc(-c2cccc(Br)c2)cs1 1872746081 QNVLMSBORYBIJL-VZCXRCSSSA-N 469.404 6.841 50 10 JKGE COc1ccc(-c2csc(/C(C#N)=C(\O)c3cc([N+](=O)[O-])cc([N+](=O)[O-])c3C)n2)cc1F 1872752795 SKJJSZNACWKCAS-RGEXLXHISA-N 456.411 5.033 50 10 JKGE CCOc1ccc(OCC)c(-c2csc(/C(C#N)=C/c3ccc(OCC)c(OC)c3)n2)c1 1872792519 DEOHOMCMJSZRAS-LDADJPATSA-N 450.560 6.079 50 10 JKGE CCCOc1ccc(-c2csc(/C(C#N)=C(\O)c3cccc(OC(C)=O)c3)n2)cc1OCCC 1872817965 FXMSZMSJRNWZKL-DAFNUICNSA-N 478.570 6.263 50 10 JKGE O=C(N[C@@H](CBr)[C@@H]1CC=CCC1)c1cc(Br)sc1Br 1885069810 KLTKLAXSNGGPTC-SCZZXKLOSA-N 472.040 5.123 50 10 JKGE C[C@H](CCBr)CCSc1cc(I)ccc1Br 1900778927 DGRUUEBPJPMWAL-SECBINFHSA-N 478.031 5.957 50 10 JKGE C[C@H](Br)CN(Cc1ccccc1)C(=O)c1cc(Br)cc(Br)c1 1914612916 NIVIVXNYLPAOFU-LBPRGKRZSA-N 490.033 5.637 50 10 JKGE CC[C@H](Br)CN(Cc1ccccc1)S(=O)(=O)c1cccc(C(F)(F)F)c1C 1915084044 SFTXZDUYPXJLHU-INIZCTEOSA-N 464.347 5.378 50 10 JKGE Cc1c(Br)sc([C@H](Br)CC(F)(F)C(F)(F)F)c1Br 1922912789 QSHJWYACXUKMBL-SCSAIBSYSA-N 480.916 6.605 50 10 JKGE Clc1c(Br)sc(Br)c1[C@@H](Br)C1CCCCCC1 1923071903 LSFNNHKPBCSPJY-VIFPVBQESA-N 465.476 7.333 50 10 JKGE C[C@@H](c1ccncc1Br)[C@H](Cl)c1c(Br)cccc1Br 1924071439 XOUXTIBQWZAYGV-RTHLEPHNSA-N 468.414 6.453 50 10 JKGE Clc1sc(Cl)c([C@H](Br)c2cccc(I)c2)c1Cl 1925567122 AJARJIOPDABNNA-MRVPVSSYSA-N 482.395 6.797 50 10 JKGE Cc1cccc(Br)c1[C@H](Br)c1c(Cl)sc(Br)c1Cl 1925590230 XBCJWUDSYFHFCD-VIFPVBQESA-N 493.873 7.373 50 10 JKGE FC(F)C1CC(C[C@H](Cl)c2c(Br)sc(Br)c2Br)C1 1926949769 IPBGZBOTZAROCF-WRVKLSGPSA-N 487.429 6.997 50 10 JKGE Clc1c(Br)sc(Br)c1[C@@H](Br)[C@@H]1CCC2(CC2)C1 1950246112 MZMXAYDJCCZWOE-SVRRBLITSA-N 463.460 6.943 50 10 JKGE C[C@@](CCCCC[C@@H]1CCSS1)(NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)O 1951706487 BMAYACMZXLWDGV-DWXRJYCRSA-N 485.671 6.473 50 10 JKGE Cn1ncc(Br)c1[C@H](Br)c1ccc(Br)cc1Br 2024279080 JWORHKWAIPNUPU-SNVBAGLBSA-N 487.815 5.192 50 10 JKGE Brc1cc([C@@H](Br)c2cc3c(s2)CCOC3)sc1Br 2041518714 KWVUNQSKJRMGNK-NSHDSACASA-N 473.049 5.892 50 10 JKGE Cc1cc(Cl)c(Br)cc1[C@@H](Cl)c1scc(Br)c1Br 2082387438 MIWQPXQDHIDPLE-LLVKDONJSA-N 493.873 7.326 50 10 JKGE FC(F)(F)c1ccc2nc(CCl)n(CCCN(Cc3ccccc3)Cc3ccccc3)c2c1 2088943095 QURNIBWXLUZRED-UHFFFAOYSA-N 471.954 6.886 50 10 JKGE C[C@@H](CBr)[C@@H]1CCCCN1Cc1ccc(Br)cc1Br 2092266379 LLKCRRICPCAEQE-NHYWBVRUSA-N 454.044 5.597 50 10 JKGE ClCCc1nc2cc(Br)c(Cl)cc2n1C[C@H]1CCN1Cc1ccccc1 2103621015 AVTDIYXQVQCKIL-OAHLLOKOSA-N 453.211 5.508 50 10 JKGE ClCc1nc2cc(Cl)c(Br)cc2n1[C@H]1CCCN(Cc2ccccc2)C1 2112701992 QUTJHGIHVTXJOH-HNNXBMFYSA-N 453.211 6.028 50 10 JKGE Brc1cccc(Br)c1CN1C[C@@H](Br)C2(CCCC2)C1 2117736576 QQRLJSROXHOJNH-CQSZACIVSA-N 452.028 5.351 50 10 JKGE Cc1cc(Br)c(C)c([C@H](Br)C2CC(C(C)C)C2)c1Br 2136375210 SRBRHWUHCCLFHG-ZEPSKSRBSA-N 453.056 6.947 50 10 JKGE Cc1cc(Br)c(C)c([C@H](Br)C[C@]23CCC[C@H]2C3)c1Br 2136379673 MXUWICKCPGNBMG-NORZTCDRSA-N 451.040 6.845 50 10 JKGE Cc1cc(Cl)c(Br)cc1[C@@H](Cl)c1c(Br)cccc1Br 2137640969 TWVAZIWWQNFTTM-CQSZACIVSA-N 487.844 7.264 50 10 JKGE Cc1cc(Cl)cc([C@@H](Br)c2ccc(Br)c(C)c2Br)c1 2138854002 RPRWBUARVQBNGN-OAHLLOKOSA-N 467.426 6.966 50 10 JKGE CCC1CC(C[C@@H](Br)c2c(C)c(Br)cc(C)c2Br)C1 2140751493 LKDVRWQTXRCKQD-ORHYLEIMSA-N 453.056 7.091 50 10 JKGE Brc1ccc(C[C@@H]2CCc3ccccc3[C@H]2Br)c(Br)c1 2148684772 ICJUJIPXLASCOX-GUYCJALGSA-N 459.019 6.453 50 10 JKGE CC(C)(C)[C@@H]1CC[C@@H](Br)[C@@H](Cc2ccc(Br)cc2Br)C1 2148685243 MJNJTPMWWOYLRQ-GZBFAFLISA-N 467.083 6.980 50 10 JKGE Brc1cccc(Br)c1[C@H](Br)Cc1ccc2c(c1)CCO2 2168661751 ROZZDNUOCNCUJE-CQSZACIVSA-N 460.991 5.825 50 10 JKGE Fc1ccc(Br)c(F)c1CC[C@H](Br)c1cccc(Br)c1 2169798435 DINRVGUAAOBERL-LBPRGKRZSA-N 468.961 6.559 50 10 JKGE FCCOc1ccc([C@@H](Br)c2c(Cl)sc(Br)c2Cl)cc1 2189494086 ILXBZSIYHVNMSE-SNVBAGLBSA-N 462.993 6.650 50 10 JKGE Clc1cc(CC(CBr)(CBr)c2ccccc2Cl)c(Cl)s1 2195407595 PDYUUUQEQFDXOG-UHFFFAOYSA-N 477.476 6.979 50 10 JKGE Cc1cc(Br)c(C)c([C@H](Br)c2cccc(Cl)c2F)c1Br 2201071216 PZKDEDHZTIWLKJ-CQSZACIVSA-N 485.416 7.105 50 10 JKGE Fc1cc(Br)c([C@@H](Br)c2cc3sccc3s2)c(F)c1Cl 2201620011 WWDHRLVZIDDSCW-NSHDSACASA-N 458.574 7.141 50 10 JKGE CCc1nn(C)c([C@H](Br)c2cc(Br)c(Cl)cc2C)c1Br 2202351841 KQSPYERVBNNESJ-GFCCVEGCSA-N 485.445 5.954 50 10 JKGE COc1cc(Cl)c([C@H](Cl)c2cc(I)ccc2F)cc1Br 2202364417 KQSBQSKAFJQQLX-AWEZNQCLSA-N 489.937 6.183 50 10 JKGE C[C@@H]1C[C@@H](Cl)C[C@H](c2sc(Br)c(Br)c2Br)C1 2212197524 FUCJAZQOOPIBOX-RRKCRQDMSA-N 451.449 6.547 50 10 JKGE Cc1c(Br)sc([C@H](Br)[C@H]2CC[C@@H]2C(F)(F)F)c1Br 2217674187 MRAMQVSRPSMPHR-VMHSAVOQSA-N 470.974 6.606 50 10 JKGE COc1cc(C)ccc1[C@@H](Br)c1cc(Br)c(Br)s1 2218595808 ATRFKOAXVHDQDO-GFCCVEGCSA-N 455.009 6.074 50 10 JKGE Cc1cc([C@@H](Cl)c2sc(Br)c(C)c2C)ccc1I 2218782210 RGKSLWVTWDIQOJ-GFCCVEGCSA-N 455.586 6.369 50 10 JKGE Cc1sc(C(Br)c2sc(C)c(Br)c2C)c(C)c1Br 2218961313 HJFYFHDKGZFPRE-UHFFFAOYSA-N 473.093 7.053 50 10 JKGE CCOCc1cc(Br)c([C@H](Cl)c2cc(Br)c(Cl)s2)s1 2224792522 RDOVJVPVVZLMNR-SNVBAGLBSA-N 465.059 6.853 50 10 JKGE Cc1sc([C@@H](Cl)c2c(Br)cc(F)c(Cl)c2F)cc1Br 2226089389 PLJAKKOVKXJPLF-LLVKDONJSA-N 450.957 6.841 50 10 JKGE COc1cc(Br)c([C@@H](Br)c2cc(Br)c(Cl)s2)cc1C 2227719922 ARNHCOQLRSRJHO-GFCCVEGCSA-N 489.454 6.728 50 10 JKGE Cc1ccc([C@@H](C)[C@@H](Br)c2sc(Br)c(C)c2Br)cc1 2232081422 JCNGLXSBAWVKPA-BXKDBHETSA-N 467.064 7.130 50 10 JKGE ClCc1nc2cc(Br)c(Br)cc2n1-c1cncc(Br)c1 2234071269 WQQRTHBQNWQFQG-UHFFFAOYSA-N 480.385 5.447 50 10 JKGE CCCN[C@H](c1c(Br)cc(C)c(Br)c1C)[C@H]1C[C@H](Br)C1 2235603764 KPNCMZXCQHTJOT-MKBNYLNASA-N 468.071 6.043 50 10 JKGE Fc1ccc([C@@H](Cl)c2c(F)cc(F)c(Br)c2F)c(I)c1 2236102086 GWOYAOHAGYXUNQ-GFCCVEGCSA-N 479.436 5.938 50 10 JKGE Cc1ccc([C@H](Br)Cc2ccc(Br)cc2Cl)c(C)c1Br 2237456119 RPHLWOAWIUUJNV-CQSZACIVSA-N 481.453 7.161 50 10 JKGE Cc1cc(Br)cc([C@H](Br)c2ccc3c(c2Br)CCO3)c1 2238075779 DYPQPSWSNATTLC-HNNXBMFYSA-N 460.991 5.939 50 10 JKGE Cc1cc(Br)sc1[C@H](Br)c1cc(Br)c(F)cc1Cl 2258103463 LJYVHPJWRBFEMI-LLVKDONJSA-N 477.418 6.858 50 10 JKGE CCCCc1ccc([C@@H](Br)c2ccc(Br)cc2Br)s1 2264365374 UGXXGROIKVFAPW-HNNXBMFYSA-N 467.064 7.100 50 10 JKGE Cc1cc(Br)c([C@@H](Br)c2ccc(I)cc2)c(C)c1F 2264470531 HCRJNEPLMNCMPD-AWEZNQCLSA-N 497.971 6.294 50 10 JKGE COc1cc(C)c(Br)c(C)c1[C@H](Cl)c1cc(I)sn1 2269597689 IDVVEOFHMGVTSG-CYBMUJFWSA-N 472.573 5.464 50 10 JKGE Cc1nscc1C(C#N)=C(Cl)c1cc(I)ccc1Br 2271383696 FBQIXRJSQPPTJI-UHFFFAOYSA-N 465.541 5.449 50 10 JKGE CC1(C)CCO[C@H](COc2c(Br)cc(Br)cc2CBr)C1 2280343394 LXEWVGAORNMMIA-LBPRGKRZSA-N 471.027 5.691 50 10 JKGE COc1ccc([C@@H](Cl)c2cc(Cl)c(C)cc2Br)cc1I 2285013793 UWWFUUHGFBDZNB-OAHLLOKOSA-N 485.974 6.352 50 10 JKGE COc1ccc([C@H](Cl)c2c(F)cc(Br)cc2F)cc1I 2285014922 YKMUCSCPGXEPBI-AWEZNQCLSA-N 473.482 5.669 50 10 JKGE Cc1cc(F)c(Br)cc1[C@@H](Br)c1ccc(C)c(Br)c1C 2285938886 HYIDSCWGTUFHNK-INIZCTEOSA-N 464.998 6.760 50 10 JKGE Cc1cccc(C)c1NS(=O)(=O)c1ccc(NC(=O)C(C#N)=Cc2c(F)cccc2Cl)cc1 2293276374 YYDVKZQFKAWTEW-UHFFFAOYSA-N 483.952 5.442 50 10 JKGE N#CC(=Cc1cc(Cl)ccc1OCc1ccc(C(=O)O)cc1)C(=O)Nc1cccc(Cl)c1 2293296217 WRBOWAAALRKMTJ-UHFFFAOYSA-N 467.308 5.816 50 10 JKGE CCOc1ccc(C=C2CCC[C@@H]3C2=NN(C(=O)CCl)[C@@H]3c2ccc(OCC)cc2)cc1 2296809642 KOZISSCPCOFRQW-ZEQKJWHPSA-N 452.982 5.846 50 10 JKGE Cc1cc2nc(C(C#N)=Cc3cn(CC(=O)Nc4ccc(F)cc4)c4ccccc34)[nH]c2cc1C 2297380665 UWNDDAMLRCLOIR-UHFFFAOYSA-N 463.516 5.976 50 10 JKGE CCOC(=O)Nc1sc(C(C#N)=Cc2cc(OC)ccc2OC)nc1-c1ccc(Cl)cc1 2297497818 OONBMEZYIPCVSH-UHFFFAOYSA-N 469.950 6.113 50 10 JKGE CCCCCCC[C@H](Br)c1ccc(OCc2ccccc2)cc1Br 2299496083 MPYJULYFSHUVQA-FQEVSTJZSA-N 454.246 7.825 50 10 JKGE COc1cc(C=C(C#N)C(=O)Nc2cc(C)ccc2C)c(Br)cc1OCc1ccccc1 2313560896 KKXXDDQENINCAZ-UHFFFAOYSA-N 491.385 6.199 50 10 JKGE COc1cccc2cc(-c3nn(-c4ccccc4)cc3C=C(C#N)C(=O)N[C@H](C)c3ccccc3)oc12 2314450821 VMHKMWWFQYUCTR-HXUWFJFHSA-N 488.547 6.078 50 10 JKGE Brc1ccc(OCc2ccccc2)c([C@@H](Br)[C@H]2CCCC3(CC3)C2)c1 2314494685 KKPUBSOZLLKLQL-UWJYYQICSA-N 464.241 7.435 50 10 JKGE CCOc1cccc(-c2nn(-c3ccccc3)cc2C=C(C#N)C(=O)N[C@@H](C)c2ccccc2)c1 2314522484 KZZCXJSFNCOOAD-NRFANRHFSA-N 462.553 5.722 50 10 JKGE COc1ccc(Oc2nc3c(C)cccn3c(=O)c2C=C(C#N)C(=O)Nc2cccc(Cl)c2)cc1 2314533103 OPLKMEKQJCXYGF-UHFFFAOYSA-N 486.915 5.003 50 10 JKGE Cc1ccc(N2C(=O)[C@@H](Cc3cccc(Cl)c3)SC2=C(C#N)C(=O)Nc2ccccc2)cc1C 2314592149 MPQTZSJUTFIXQY-XMMPIXPASA-N 488.012 6.022 50 10 JKGE COc1ccc(OC)c([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)C=Cc4ccc(Cl)cc4)ccc32)c1 2314634682 XCTUHCDCGYTIJV-SANMLTNESA-N 488.927 5.194 50 10 JKGE COC1CC([C@H](Br)c2c(Cl)cc(Br)c(F)c2Br)C1 2315440459 TUXQYYNIYGLZJP-JCSINIIFSA-N 465.382 5.865 50 10 JKGE CCn1cc(C=C2Oc3c(ccc(OCc4cccc(CCl)c4)c3C)C2=O)c2ccccc21 2325361141 QQGDWQLMAOHMLC-UHFFFAOYSA-N 457.957 6.904 50 10 JKGE CCCCc1ccc(NC=C(C#N)C(=O)Nc2ccc(I)cc2C)cc1 2325405884 KEQTYIRXHVZMEE-UHFFFAOYSA-N 459.331 5.400 50 10 JKGE CCOc1ccc(CCNC=C(C#N)C(=O)NC2CCCCCCCCCCC2)cc1OCC 2325480207 OLRDJMCTVRPDRQ-UHFFFAOYSA-N 469.670 5.813 50 10 JKGE N#CC(=C(O)c1cc2ccccc2oc1=O)c1nc(-c2ccc(Br)cc2)cs1 2331259973 BEWOEJQBGKULJI-UHFFFAOYSA-N 451.301 5.629 50 10 JKGE CC[C@@H](C)[C@@H](C(O)=C(C#N)c1nc(-c2ccc(OC)c(C)c2)cs1)N1C(=O)c2ccccc2C1=O 2331260231 QVJMXVQHKOLIRD-CMJOXMDJSA-N 487.581 5.631 50 10 JKGE COc1c(Cl)cc(-c2csc(C(C#N)=C(O)C=Cc3ccc(C(C)(C)C)cc3)n2)cc1Cl 2331396584 RWVGYNHYEHIOED-UHFFFAOYSA-N 485.436 7.929 50 10 JKGE Cc1ccc(-c2csc(C(C#N)=Cc3c(OCc4ccccc4)ccc4ccccc34)n2)cc1C 2331472867 BDZYJBJMBGQYEN-UHFFFAOYSA-N 472.613 8.223 50 10 JKGE CCCCOc1ccc(C=C(C#N)c2nc(-c3ccc(OCC)cc3OCC)cs2)cc1OC 2331474017 WXWUKXLRIPJOOP-UHFFFAOYSA-N 478.614 6.859 50 10 JKGE Cc1ccc([C@H](C)[C@H](Br)c2cc(Br)ccc2OCc2ccccc2)cc1 2336045540 XDSUBOYUFJYNIV-SBUREZEXSA-N 474.236 7.576 50 10 JKGE C[C@@H]1OCCO[C@H]1[C@@H](Br)c1c(Cl)cc(Br)c(F)c1Br 2337082214 JADDQOITQKCHFC-RBRSSROYSA-N 481.381 5.244 50 10 JKGE COc1c(C)cc(Br)c(C)c1[C@H](Br)c1cnsc1Br 2337333654 CSUBAHRMZNOHES-LLVKDONJSA-N 470.024 5.778 50 10 JKGE COc1c(Br)cc(C)c([C@H](Br)[C@]23CCC[C@@H]2C3)c1Br 2339654215 QHGGZZQKXPJYKI-NKZPBKNFSA-N 453.012 6.155 50 10 JKGE C[C@@H]1CN(Cc2ccc(Cl)cc2I)CC[C@@H]1CCBr 2341009535 LIXNXSZCMOTLRI-NEPJUHHUSA-N 456.593 5.188 50 10 JKGE Brc1cc2c(cc1[C@@H](Br)c1nscc1Br)CCCO2 2343600807 JUEZJCPXWREXRR-GFCCVEGCSA-N 468.008 5.477 50 10 JKGE Cc1ccc([C@H](CBr)Cc2ccc(I)c(Br)c2)cc1 2349841635 JYLCDQVMVUYDFZ-AWEZNQCLSA-N 494.008 6.083 50 10 JKGE Cc1cnc(OCc2cc(I)ccc2Cl)cc1CBr 2352411252 LYTBXGANKYONPW-UHFFFAOYSA-N 452.517 5.122 50 10 JKGE CN(c1cc(CBr)sc1[N+](=O)[O-])[C@H]1C[C@@H]2C[C@H](OCc3ccccc3)C[C@H]12 2357090183 UMJUVSRYAITQOC-LAQRGFTBSA-N 451.386 5.371 50 10 JKGE Fc1cc(Br)ccc1[C@H](Cl)c1c(F)cc(Cl)c(Br)c1Cl 2360429020 LFUFKCWDKGTVEB-LBPRGKRZSA-N 465.346 7.125 50 10 JKGE CC(C)(C)OC(=O)N1CCC(CC2CCN(C[C@H](Br)C(F)(F)F)CC2)CC1 2361103968 GQTVRZSFKBTVBC-INIZCTEOSA-N 457.375 5.061 50 10 JKGE FC(F)Oc1ccccc1[C@H](Br)c1ccc(OCc2ccccc2)cc1Br 2361194174 GDNRACAIDIRVDV-HXUWFJFHSA-N 498.161 7.114 50 10 JKGE CO[C@@H]1CCC[C@H]([C@H](Br)c2c(C)cc(Br)c(F)c2Br)C1 2365178396 JELMVZGKKRPYNC-CWSCBRNRSA-N 473.018 6.300 50 10 JKGE COc1c(Br)cc(C)c([C@H](Br)[C@@H](C)[C@H]2CCCO2)c1Br 2365233470 FULVGBWQIUQUGJ-UFGOTCBOSA-N 471.027 5.780 50 10 JKGE C[C@H](Cl)CN(C(=O)c1cc(I)ccc1Br)C1CCCC1 2368860090 UCEUHWNTEGZSAA-JTQLQIEISA-N 470.576 5.066 50 10 JKGE CC(C)(C)[C@@H]1CC[C@H]1CO[C@@H](CI)c1ccccc1Br 2369178933 VEDUBVLUOZHXRM-BJJXKVORSA-N 451.186 6.014 50 10 JKGE Cc1cccc(C)c1N/C(SCc1ccccc1Cl)=C(/C#N)S(=O)(=O)c1ccccc1 20325049 MGESNIIYIJPVOL-ZNTNEXAZSA-N 469.031 6.469 50 10 JKGE CCN(CC)C(=O)Oc1ccc2c(ccn2Cc2ccccc2Cl)c1NC(=O)[C@H](C)Cl 23429293 DZFARPRIGUPPDM-HNNXBMFYSA-N 462.377 5.749 50 10 JKGE COc1ccc(/C(C#N)=C\c2ccc(OC(=O)c3ccc(Br)o3)c(OC)c2)cc1 31902270 XITNOOXODGCRGF-WJDWOHSUSA-N 454.276 5.343 50 10 JKGE C[C@H](Oc1ccc(Cl)cc1Cl)C(=O)Oc1cccc(/C=C(/C#N)c2cccc(Cl)c2)c1 31902513 MLIVTUCRSRNLOC-PACYTGELSA-N 472.755 7.084 50 10 JKGE N#C/C(=C/c1ccc(-c2cccc(Cl)c2)o1)C(=O)Nc1ncc(Cc2cccc(Cl)c2)s1 33339794 CAGGVVRUAZHFRL-ATVHPVEESA-N 480.376 6.846 50 10 JKGE COc1ccc(NC(=O)/C(C#N)=C/c2ccc(OCc3ccc(Cl)c(Cl)c3)c(OC)c2)cc1 33438502 IWZRIQOZAKMCLH-WOJGMQOQSA-N 483.351 6.135 50 10 JKGE COc1ccc(-c2nn(-c3ccccc3)cc2/C=C(\C#N)C(=O)Nc2cccc(C(F)(F)F)c2)cc1 33557924 DRSSBLYTGNRABB-XMHGGMMESA-N 488.469 6.112 50 10 JKGE CCOc1c(Br)cc(/C=N\NC(=O)Nc2ccccc2C)cc1Br 33725934 FRKCPWUFUJNEEP-JMIUGGIZSA-N 455.150 5.074 50 10 JKGE COc1ccccc1[C@@H]1C(C#N)=C(N)Oc2cc(OC(=O)c3ccc(Cl)cc3Cl)ccc21 38649998 XAHQNLHWHNERSN-QFIPXVFZSA-N 467.308 5.439 50 10 JKGE Cc1cc(C)cc(OCC(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@@H]3c2cccc(Cl)c2)c1 38651227 BYKYMJJIRSDKIP-RUZDIDTESA-N 460.917 5.159 50 10 JKGE CCOc1ccccc1C(=O)Oc1ccc2c(c1)OC(N)=C(C#N)[C@H]2c1ccc(Br)cc1 38651802 NIUIDJYITXBLTM-QHCPKHFHSA-N 491.341 5.285 50 10 JKGE Cc1ccccc1OCC(=O)Oc1ccc2c(c1)OC(N)=C(C#N)[C@@H]2c1ccc(Cl)cc1Cl 38655229 OIKHKFMYWCNBEP-XMMPIXPASA-N 481.335 5.504 50 10 JKGE CCCOc1ccccc1C(=O)Oc1ccc2c(c1)OC(N)=C(C#N)[C@H]2c1ccc(Cl)cc1Cl 38655611 USUFHHNGAKVBJH-DEOSSOPVSA-N 495.362 6.220 50 10 JKGE N#CC1=C(N)Oc2cc(OC(=O)c3ccc(Cl)cc3Cl)ccc2[C@H]1c1cccc(F)c1 38677943 RCMOFNHJLMQBOD-OAQYLSRUSA-N 455.272 5.570 50 10 JKGE O=C(NNC(=O)c1ccc(-n2nc(C(F)(F)F)cc2-c2cccs2)cc1)c1ccc(Cl)cc1 39852357 XHXKTPYEVTYHBT-UHFFFAOYSA-N 490.894 5.348 50 10 JKGE Cc1cc(Cl)ccc1NC(=O)c1oc2c(c1C)/C(=N/NC(=O)c1ccccc1Cl)CCC2 40812632 GCXDPTFHUANSRU-TURZUDJPSA-N 470.356 5.926 50 10 JKGE Cc1cc(C)c2c(CC(=O)N/N=C3\CCCc4oc(C(=O)Nc5nccs5)c(C)c43)coc2c1 40826962 RCPGMBGLSKQQJK-OGLMXYFKSA-N 476.558 5.059 50 10 JKGE CCCCCOc1ccc(/C=N/NC(=O)COc2c(C)cc(Br)cc2C)cc1OC 40888462 QBAMDQWOAIQEDT-AFUMVMLFSA-N 477.399 5.173 50 10 JKGE CCc1ccc(OCCCC(=O)N/N=C/c2ccc(Cl)cc2Cl)c(Br)c1 40959302 OXUGXUJLXJMBMN-FSJBWODESA-N 458.183 5.628 50 10 JKGE Cc1cc(/C=N/NC(=O)Cc2cccc(C(F)(F)F)c2)c(C)n1-c1ccc(Br)cc1 59136463 JDRGLOVSQOADID-UVHMKAGCSA-N 478.312 5.568 50 10 JKGE O=C(Cn1cnc2ccccc21)N/N=C/c1cc(Br)ccc1OCc1ccccc1Cl 59181223 ZJYLTNRJJHVBHV-KKMKTNMSSA-N 497.780 5.182 50 10 JKGE C[C@@H]1CCCC[C@@H]1NC(=O)[C@@H](c1ccccc1Cl)N(Cc1ccc2c(c1)OCO2)C(=O)CCl 97914368 OXBNZVGDKMBCLD-AAORUROXSA-N 491.415 5.072 50 10 JKGE CCN(CC)C(=O)Oc1ccc2c(ccn2Cc2cccc(C)c2)c1NC(=O)C(Cl)Cl 97941667 HKDYHEWQGPZLOG-UHFFFAOYSA-N 462.377 5.581 50 10 JKGE COc1c(Br)cc(Cl)cc1[C@H](Br)Cc1cccc(Br)c1 109836192 WYFQCBWAUGSBBM-CYBMUJFWSA-N 483.425 6.552 50 10 JKGE Cc1cc(Br)c([C@@H](Br)Cc2ccccc2F)cc1Br 128738514 VPMCRHYQIQQGKR-AWEZNQCLSA-N 450.971 6.338 50 10 JKGE CCOc1cc(/C=C2\C(=O)N(C3CCCCC3)C(=O)C(C#N)=C2C)ccc1OCCC(C)C 214367400 YZBKHFYPGWTTPZ-JCMHNJIXSA-N 450.579 5.435 50 10 JKGE CCc1ccc(COc2c(Br)cc(CBr)cc2Br)cc1 234186621 FGOFVIVNYIHZBA-UHFFFAOYSA-N 463.007 6.248 50 10 JKGE COc1cc(C)c(Br)cc1[C@@H](Br)c1cccc(Br)c1F 234796774 BZWCFWKMCAQQLC-AWEZNQCLSA-N 466.970 6.152 50 10 JKGE Cc1cc([C@@H](Br)c2cc(Br)sc2Br)sc1Cl 235862634 VMHBENKDPZYWAE-QMMMGPOBSA-N 465.457 6.781 50 10 JKGE Fc1ccc([C@@H](Cl)c2cc(Cl)c(Br)s2)c(I)c1 236209573 QBPJEBANRNJPKN-SNVBAGLBSA-N 465.940 6.236 50 10 JKGE CC(=NNC(=O)c1cc(-c2ccccc2)nc2c(Cl)cccc12)c1ccc(C(C)(C)C)cc1 254485591 GYDWRGPZXSCNAW-UHFFFAOYSA-N 455.989 7.007 50 10 JKGE CC(=NNC(=O)c1sc2ccccc2c1Cl)c1cccc(NC(=O)/C=C/c2ccccc2)c1 254740190 NGUSOSAIAXRAEF-XWKKNUDYSA-N 473.985 6.361 50 10 JKGE Cc1cccc(Br)c1[C@@H](Br)c1cc(F)c(Br)cc1F 389445629 UUIZGXJVVQHMIE-AWEZNQCLSA-N 454.934 6.283 50 10 JKGE Cc1cnccc1CCOc1c(Br)cc(CBr)cc1Br 397540140 UYIJMKBLVKGEJL-UHFFFAOYSA-N 463.995 5.431 50 10 JKGE CCC(CC)([C@H](Br)c1cc(Br)ccc1Br)C(F)(F)F 690955589 WJMCXTLMVAFPOR-LLVKDONJSA-N 466.961 7.016 50 10 JKGE COc1ccc([C@H](Cl)c2scc(Br)c2Br)cc1Br 705439966 VJJYBDGBSNCNJN-NSHDSACASA-N 475.427 6.372 50 10 JKGE CCc1ccccc1NC(=O)/C(C#N)=C\c1ccc(OCc2ccc(Cl)cc2Cl)c(OC)c1 1084578950 ALFFPFZTEYLWQZ-NDENLUEZSA-N 481.379 6.689 50 10 JKGE Cc1c(C(=O)Nc2ccc(Cl)cc2)oc2c1C(=NNC(=O)c1ccc(Cl)cc1)CCC2 1772744057 QXTOASHYTDTITE-UHFFFAOYSA-N 456.329 5.618 50 10 JKGE Cc1c(C(=O)Nc2cccc3ccccc23)oc2c1C(=NNC(=O)c1cccc(Cl)c1)CCC2 1772745782 HAKPLPXHVSCYLO-UHFFFAOYSA-N 471.944 6.117 50 10 JKGE Cc1cccc(NC(=O)c2oc3c(c2C)C(=NNC(=O)c2ccc(Cl)c([N+](=O)[O-])c2)CCC3)c1 1772748133 NSJOVTOMBUTIRH-UHFFFAOYSA-N 480.908 5.181 50 10 JKGE CSCc1ccc(C(=O)NCc2ccc(OC(=O)Nc3ccc(SC#N)cc3)cc2)cc1 1858909983 NCOWNUFEVBSNPV-UHFFFAOYSA-N 463.584 5.664 50 10 JKGE CC(C)Oc1cccc(/C=C/C(=O)Nc2cccc(C(=O)Nc3ccc(SC#N)cc3)n2)c1 1860566246 KNVONQDZYNDNNO-NTEUORMPSA-N 458.543 5.346 50 10 JKGE COc1ccc(-c2nn(-c3ccccc3)c3c2[C@@H](c2ccc(C(C)(C)C)cc2)C(C#N)=C(N)O3)cc1 1865682875 ZKRDGSACTZJCFL-VWLOTQADSA-N 476.580 6.064 50 10 JKGE CCCc1nn(Cc2ccc(Cl)c(Cl)c2)c2c1[C@H](c1cc(Cl)ccc1O)C(C#N)=C(N)O2 1865689615 UIGAWOVQOAKDRZ-HXUWFJFHSA-N 489.790 5.768 50 10 JKGE CCOc1cc([C@H]2C(C#N)=C(N)Oc3c2c(CC)nn3CC(C)C)ccc1OCc1ccccc1 1865692870 GKFSLVJTRMOCEU-VWLOTQADSA-N 472.589 5.297 50 10 JKGE CCCOc1ccc([C@H]2C(C#N)=C(N)Oc3c2c(-c2ccccc2)nn3Cc2ccccc2Cl)cc1 1865694067 PAPNQGHQRJQWRO-VWLOTQADSA-N 496.998 6.259 50 10 JKGE Cc1nn(Cc2ccc(Cl)cc2)c2c1[C@@H](c1ccc(OC(=O)c3ccccc3)cc1)C(C#N)=C(N)O2 1865704663 BEZAAOBDSUAKIB-VWLOTQADSA-N 496.954 5.331 50 10 JKGE CCN(CC)Cc1ccc(/C=N\NC(=O)c2ccc(-c3ccc(Cl)cc3Cl)nc2C)cc1 1865760535 CAIHGOTVUQYRHQ-MBTHVWNTSA-N 469.416 5.970 50 10 JKGE CC[C@@](C)(NC(=O)[C@@H](c1ccc(Br)cc1)C(C)C)C(=O)Nc1ccc(SC#N)cc1 1866975105 VXJDTYUDYXKDOA-NFBKMPQASA-N 488.451 5.685 50 10 JKGE COc1ccccc1-c1csc(/C(C#N)=C(\O)[C@H](C)Oc2ccc(Cl)cc2Br)n1 1872746906 FIXFNRPYZXSXCW-BMOWLENRSA-N 491.794 6.495 50 10 JKGE C[C@H](c1ccccc1)N1C[C@H](/C(O)=C(\C#N)c2nc(-c3ccc(Cl)c(Cl)c3)cs2)CC1=O 1872749017 XOTPCOYOBYHVKU-JTSVPAFMSA-N 484.408 6.519 50 10 JKGE CCCOc1ccc(-c2csc(/C(C#N)=C(\O)c3ccc4c(c3)C(=O)N(C(C)C)C4=O)n2)cc1 1872749190 GMEMWNIRLUGJNL-LNVKXUELSA-N 473.554 5.553 50 10 JKGE COc1cc(-c2csc(/C(C#N)=C(\O)c3ccc(Cl)c(Cl)c3)n2)c(OC)cc1Cl 1872754886 NINDYSOTFDRRMX-UNOMPAQXSA-N 467.761 6.737 50 10 JKGE N#C/C(=C(/O)CN1C(=O)c2ccccc2C1=O)c1nc(-c2cc(Cl)ccc2Cl)cs1 1872758059 JKQQVMKBCRLMRL-SDXDJHTJSA-N 456.310 5.206 50 10 JKGE Cc1ccc(OC/C(O)=C(\C#N)c2nc(-c3cc(Cl)ccc3Cl)cs2)c(C(C)(C)C)c1 1872758984 ZSKDKCDKQPPZKJ-FXBPSFAMSA-N 473.425 7.595 50 10 JKGE CCc1cccc(C)c1N1C[C@H](/C(O)=C(\C#N)c2nc(-c3cc(OC)ccc3OC)cs2)CC1=O 1873920823 KPOOBQBAEBFTJJ-ZMRQUTOFSA-N 489.597 5.544 50 10 JKGE C[C@@H](Br)CN(Cc1ccccc1)Cc1ccc(Cl)cc1I 1889652393 RFDSENZEODYSSU-CYBMUJFWSA-N 478.599 5.730 50 10 JKGE Cl[C@H](c1cc(Br)co1)c1cc(Br)ccc1OCc1ccccc1 1899883748 PPARVCBKLPLHFT-SFHVURJKSA-N 456.561 6.712 50 10 JKGE COc1cc(C)c([C@H](Br)c2cc(C)c(Br)s2)cc1Br 1901654699 SNPFSVLSRCHLJS-ZDUSSCGKSA-N 469.036 6.383 50 10 JKGE CC[C@@H](Br)CN(Cc1ccccc1)C(=O)c1ccc2cc(Br)ccc2c1 1915098064 BOSITNBYCDUHNX-HXUWFJFHSA-N 475.224 6.418 50 10 JKGE CC(C)[C@H](CBr)N(Cc1ccccc1)Cc1ccc(Br)c(F)c1F 1915290522 FGRPPJXEMJPHMQ-KRWDZBQOSA-N 461.188 6.149 50 10 JKGE Clc1c(Br)sc(Br)c1[C@H](Br)[C@@H]1C[C@@H]2CCC[C@@H]21 1923068144 NNTLAFRCGWUXGE-XZMZPDFPSA-N 463.460 6.799 50 10 JKGE C[C@@H]([C@H](Br)c1c(Br)sc(Br)c1Cl)C(C)(F)F 1923068722 VQGZERXFNQBLKA-UCORVYFPSA-N 461.391 6.654 50 10 JKGE CC1([C@H](Br)c2c(Br)sc(Br)c2Cl)CC(F)C1 1923074896 TVJGSXMYGOYCGN-POUYQYJTSA-N 455.412 6.501 50 10 JKGE Cc1cccc([C@@H](Cl)[C@@H](C)c2ccncc2Br)c1I 1924044487 XEZBJMSSNHCFHQ-HZMBPMFUSA-N 450.545 5.841 50 10 JKGE FC1CC(C[C@H](Cl)c2c(Br)sc(Br)c2Br)C1 1924570594 LKWHOVOXZOGRJU-WRVKLSGPSA-N 455.412 6.454 50 10 JKGE CCn1cc([C@H](Br)c2c(Cl)sc(Cl)c2Cl)nc1Br 1925617977 LELOPKFQXIPBMB-LURJTMIESA-N 453.414 6.172 50 10 JKGE Clc1sc(Cl)c([C@H](Br)c2cscc2OCc2ccccc2)c1Cl 1939528516 PGMFDMFIOQMZPS-CYBMUJFWSA-N 468.652 7.833 50 10 JKGE Clc1sccc1[C@@H](Br)c1c(Br)sc(Br)c1Cl 1983219670 QDIILPQTBPMXAB-RXMQYKEDSA-N 485.875 7.126 50 10 JKGE Brc1cc(NC[C@H]2C[C@@H](Br)C2)cc(Br)c1Br 1991472232 BWGZTQYTSJATQN-KNVOCYPGSA-N 476.832 5.560 50 10 JKGE Cc1c(Br)ccc([C@@H](Br)c2csc(Cl)c2)c1Br 2024279508 OODRVYHBGBEDKT-LBPRGKRZSA-N 459.428 6.719 50 10 JKGE O=C(N[C@@H]1CCCCC[C@@H]1Br)c1csc(Br)c1Br 2032953064 BSMBGDAVFPMIIH-DTWKUNHWSA-N 460.029 5.099 50 10 JKGE C[C@]1([C@@H](Br)c2c(Br)sc(Br)c2Cl)C[C@H]1C(F)(F)F 2039184033 BEFMKQGJWRMDJW-PHTXQJRJSA-N 491.392 6.951 50 10 JKGE Clc1c(Br)sc(Br)c1[C@@H](Br)[C@H]1CC2(CCC2)CO1 2047664257 MHAXPUCFZVIBNF-SVRRBLITSA-N 479.459 6.322 50 10 JKGE CCc1nc([C@@H](Br)c2sc(C)c(Br)c2C)c(Br)s1 2050330940 IVPLJNKNWVUUIU-SECBINFHSA-N 474.081 6.393 50 10 JKGE Cc1csc(CBr)c1S(=O)(=O)N(Cc1ccccc1)Cc1cccs1 2059285067 UIQDMTIAMDSCNT-UHFFFAOYSA-N 456.452 5.404 50 10 JKGE CC[C@@H](C)N(Cc1ccccc1)S(=O)(=O)c1cc(CBr)cc(Br)c1C 2059286351 KSRLUMVLYJOYMV-CQSZACIVSA-N 489.273 5.642 50 10 JKGE CCc1cc(Br)c([C@H](Br)c2c(Br)c(C)nn2C)s1 2072301478 XYDFDRORXAPECP-SNVBAGLBSA-N 457.029 5.362 50 10 JKGE CC1(C)[C@H](Br)CCCN1C(=O)c1csc(Br)c1Br 2076213952 OZYBUKAFGHDJJX-MRVPVSSYSA-N 460.029 5.051 50 10 JKGE Cc1cc(Cl)c(Br)cc1[C@H](Br)c1cccc(OCc2ccccc2)c1 2082379070 GNELJOZOXOLEHK-OAQYLSRUSA-N 480.627 7.474 50 10 JKGE Fc1ccc(Br)c([C@H](Cl)c2ccc(Br)cc2Br)c1 2083329175 ANNMMFMLRKHNGY-CYBMUJFWSA-N 457.362 6.441 50 10 JKGE CC(C)(C)OC(=O)N1CCC(CBr)(OCc2cc(F)ccc2Br)CC1 2085378165 KOIHWYDFTQANAX-UHFFFAOYSA-N 481.200 5.269 50 10 JKGE O=C(c1csc(Br)c1Br)N(CCBr)C1CCCCC1 2093947344 UAEKZBWIVNGHOU-UHFFFAOYSA-N 474.056 5.443 50 10 JKGE C[C@@H](Br)C12CCC(CC1)N2C(=O)c1scc(Br)c1Br 2097064631 JRVSNZVSJQSKNR-UYVLXELHSA-N 472.040 5.194 50 10 JKGE Cc1cc([C@H](Br)c2cc(Br)c(Cl)cc2F)ccc1Br 2097836385 ZGYCDEZQZXMSNM-AWEZNQCLSA-N 471.389 6.797 50 10 JKGE C[C@H](Cl)c1nc2cc(Br)c(Cl)cc2n1[C@@H](C)CCOCc1ccccc1 2103815895 QZJSIWTXXRSNJZ-KBPBESRZSA-N 456.211 6.920 50 10 JKGE CC(C)CC(CBr)(CBr)Cc1ccc(Cl)c(Br)c1F 2110527601 BXGPUTDBMXCFDU-UHFFFAOYSA-N 479.453 6.606 50 10 JKGE Cc1c(Br)c(C[C@H](CBr)Cc2ccc(Br)cc2)nn1C 2150237451 LVVFZJKRQAUYRM-GFCCVEGCSA-N 465.027 5.050 50 10 JKGE CCOc1cc(Cl)c([C@@H](Cl)c2csc(Br)c2Br)cc1Cl 2150342742 YWXCRTKDSKTOFS-GFCCVEGCSA-N 479.448 7.307 50 10 JKGE CC1(C)CCC[C@@]1(CBr)NC(=O)c1cc(Cl)ccc1I 2150545361 MNTGCESRNRIGLA-HNNXBMFYSA-N 470.576 5.018 50 10 JKGE ClCc1nc2cc(Br)c(Cl)cc2n1CC[C@@H]1CCN(Cc2ccccc2)C1 2159865596 RCHPVCMABGIGCY-INIZCTEOSA-N 467.238 6.103 50 10 JKGE FC(F)(F)[C@@H]1CN(Cc2c(Br)cccc2Br)C[C@@H]1CBr 2163289094 LJYHNFKKRBQAPL-WCBMZHEXSA-N 479.960 5.217 50 10 JKGE FC(F)(F)c1ccc([C@@H](Cl)c2cc(Br)sc2Br)c(Cl)c1 2179252940 RKSDCAWOXDTCMZ-SNVBAGLBSA-N 468.947 7.274 50 10 JKGE COc1cc(F)c(Cl)cc1[C@H](Br)c1cc(Cl)ccc1I 2207361256 GVMFZOYVNLRRIJ-CQSZACIVSA-N 489.937 6.230 50 10 JKGE Cc1csc([C@H](Cl)c2c(Br)sc(Br)c2Br)c1C 2213652965 BGOMUNYZBZMOQF-MRVPVSSYSA-N 479.484 7.042 50 10 JKGE Fc1ccc2nc(CCl)n(CCCN(Cc3ccccc3)Cc3ccccc3)c2c1Cl 2214760992 FDPNVCYJBLHNOZ-UHFFFAOYSA-N 456.392 6.660 50 10 JKGE Cc1cccc([C@H](Br)c2c(C)sc(Br)c2C)c1Br 2218800984 PMKQLQNWYKOYLX-ZDUSSCGKSA-N 453.037 6.683 50 10 JKGE CCN(C[C@@](C)(CI)OCC1(C)CC2(CCC2)C1)C(=O)OC(C)(C)C 2220948255 JAALKOJWGLAOLV-LJQANCHMSA-N 465.416 5.424 50 10 JKGE Cc1cc(Br)c([C@@H](Br)[C@@]2(Cl)CC2(C)C)c(C)c1Br 2222052120 GEWNGGACOPURBN-OCCSQVGLSA-N 459.447 6.672 50 10 JKGE CCCCCCC[C@H](Br)c1c(Br)cc(Cl)c(Cl)c1Cl 2224302967 QMPGVGZKESFVSA-VIFPVBQESA-N 451.457 8.206 50 10 JKGE CCc1ccccc1[C@H](Br)c1cc(Br)c(Br)cc1F 2225617890 WHTBDAGYXKQTDT-HNNXBMFYSA-N 450.971 6.397 50 10 JKGE ClCCc1nc2cc(Br)c(Br)cc2n1C[C@H]1CCN1Cc1ccccc1 2225698064 QCSWZBKKSBMLDX-OAHLLOKOSA-N 497.662 5.617 50 10 JKGE Clc1ccc(Br)c([C@@H](Br)Cc2ccc(Br)cc2Cl)c1 2229155020 YSIOMXAOZFELCH-ZDUSSCGKSA-N 487.844 7.197 50 10 JKGE Cc1nn(C)c([C@H](Br)c2c(F)cc(F)c(Br)c2F)c1Br 2236105885 AGOXNMIDPDTYQN-SNVBAGLBSA-N 476.916 5.155 50 10 JKGE CC1(CO[C@@]2(CI)CCCN(C(=O)OC(C)(C)C)C2)CC2(CC(F)(F)C2)C1 2238839201 LOUHBTUMGBLPQU-LJQANCHMSA-N 499.380 5.423 50 10 JKGE CCN(C[C@@](C)(CI)OCC1CCC(C)CC1)C(=O)OC(C)(C)C 2250267413 HCOVOIFZTTXRLA-LADRWXRNSA-N 453.405 5.280 50 10 JKGE Brc1cc2sc([C@H](Br)c3ccc(OCc4ccccc4)cc3)cc2s1 2263630099 IXKCCXXODLJSTK-HXUWFJFHSA-N 494.273 7.789 50 10 JKGE COc1ccc([C@@H](Br)c2ccccc2OCc2ccccc2)c(Br)c1Cl 2268268576 RTFDDXMJLLLXQQ-IBGZPJMESA-N 496.626 7.174 50 10 JKGE Cc1cc(Cl)c([C@@H](Br)c2ccc(Cl)c(I)c2)cc1C 2268276662 IVGVMMOYLOYYJB-HNNXBMFYSA-N 469.975 6.699 50 10 JKGE CC[C@H](CC(F)(F)F)[C@H](Br)c1ccc(OC)c(I)c1 2269540855 HNFKTOIHDYBRFM-PELKAZGASA-N 451.064 5.714 50 10 JKGE COc1c(Br)cc(Cl)c(C)c1[C@@H](Br)c1cc(Br)cs1 2277887283 ZJUIRPUTAYKVBV-LBPRGKRZSA-N 489.454 6.728 50 10 JKGE C[C@@H]1CCC[C@H]([C@@H](Br)Cc2cc(Br)cc(Br)c2)CC1 2277953278 PORLJJHFVHQFPX-FFSVYQOJSA-N 453.056 6.734 50 10 JKGE CC1(C)C[C@H](C[C@H](Br)Cc2cc(Br)cc(Br)c2)CO1 2277955107 IFNDNSYWAZWLGW-NWDGAFQWSA-N 455.028 5.723 50 10 JKGE COc1ccc([C@H](Br)c2ccc(C)c(Br)c2)c(Br)c1Cl 2283559509 AGYPQGXHMULZNJ-CYBMUJFWSA-N 483.425 6.666 50 10 JKGE Cc1cc(C=C(C#N)C(=O)NC[C@@H]2CCCO2)c(C)n1-c1ccc(OCc2ccc(F)cc2)cc1 2294146951 KEAQAGUFMOBJRR-MHZLTWQESA-N 473.548 5.014 50 10 JKGE COc1ccc([C@H](Br)c2ccc3scnc3c2)cc1I 2296071315 VDPXVKKCNZPLKP-HNNXBMFYSA-N 460.134 5.394 50 10 JKGE CC(=O)Oc1ccc(C=C(C#N)c2nc(C3=Cc4cc(Br)ccc4CC3=O)cs2)cc1 2296790065 LUGCPZOIZZRHSZ-UHFFFAOYSA-N 491.366 5.561 50 10 JKGE FC1(F)CC(C[C@H](Br)c2ccc(OCc3ccccc3)cc2Br)C1 2299532812 KWIBYYBOTOJLNF-KRWDZBQOSA-N 460.156 6.900 50 10 JKGE C[C@]1(C(F)(F)F)C[C@@H]1[C@@H](Br)c1sc(Cl)cc1I 2300957854 UIGWSTBCARQHLP-MSVFPHSYSA-N 459.496 6.031 50 10 JKGE C[C@@H]1[C@@H](Br)CCC[C@H]1Cc1ccc(I)c(Br)c1 2306210357 IJDVSGCUXIPFDC-DLOVCJGASA-N 472.002 5.796 50 10 JKGE Cc1c(Br)sc([C@@H](Br)[C@@H]2CC[C@@H]3C[C@H]2CO3)c1Br 2312740964 BOEVEFBIICGQMD-SJQPAMGKSA-N 459.041 5.833 50 10 JKGE COc1ccc(OCCn2cc(C=C(C#N)C(=O)NCc3cccs3)c3ccccc32)cc1 2313540533 GKUORGRSBWMHEN-UHFFFAOYSA-N 457.555 5.014 50 10 JKGE COc1cc(C=C(C#N)c2nc3ccc(C)cc3[nH]2)c(Br)c(Br)c1O 2313631599 SIUMHOZUJMQZSX-UHFFFAOYSA-N 463.129 5.175 50 10 JKGE N#CC(=Cc1ccc(OCc2ccc(Cl)cc2Cl)cc1)C(=O)Nc1cccc(C(F)(F)F)c1 2313724670 RVCNGDJCMRZVCO-UHFFFAOYSA-N 491.296 7.137 50 10 JKGE C[C@]1([C@@H](Br)c2cc(Br)ccc2OCc2ccccc2)C[C@H]1C(F)(F)F 2314455225 MVXYZGVEUKPBSS-SQNIBIBYSA-N 478.146 7.053 50 10 JKGE CC1=C(C#N)C(=O)N(C2CCCCC2)C(=O)C1=Cc1cn(-c2ccccc2)nc1-c1ccc(C)cc1 2314616550 DHYAURPYTCYIHK-UHFFFAOYSA-N 476.580 5.773 50 10 JKGE COc1cc(C=C2C(=O)N([C@H](C)c3ccccc3)C(=O)C(C#N)=C2C)ccc1OCc1ccccc1 2314618958 XKCIUMCUKXFLNQ-OAQYLSRUSA-N 478.548 5.628 50 10 JKGE N#CC1=C(N)Oc2cc(OC(=O)C=Cc3ccc(Cl)cc3)ccc2[C@@H]1c1ccccc1Cl 2314634123 OIJRNOJMWKWQJU-DEOSSOPVSA-N 463.320 5.830 50 10 JKGE C=CCOc1ccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)C=Cc4ccc(OC)cc4)ccc32)cc1 2314634518 CZGFOVPQERCGBW-NDEPHWFRSA-N 480.520 5.097 50 10 JKGE CCCc1ccc(OCC(=O)Oc2ccc(C=C(C#N)c3ccc(Cl)cc3)cc2OC)cc1 2314720265 JQNOBPYBBISOGH-UHFFFAOYSA-N 461.945 6.350 50 10 JKGE Clc1cc(I)c([C@@H](Br)[C@H]2C[C@H]3COC[C@H](C3)C2)s1 2316597681 VDKIKVNDDVFHEX-NHRVJRKFSA-N 461.590 5.505 50 10 JKGE Cc1cc(Br)c(F)c(Br)c1[C@@H](Br)[C@@H](C)C(C)(F)F 2317429348 QSJHXOFZOVXDRS-MUWHJKNJSA-N 452.934 6.386 50 10 JKGE Fc1cc(Cl)c([C@H](Br)c2cc(Cl)c(Br)s2)c(Cl)c1 2318359028 NMZUNVKRMQAUMV-SNVBAGLBSA-N 453.385 7.094 50 10 JKGE O=C(NN=Cc1ccc(-n2nc(-c3ccccc3)cc2-c2ccccc2)cc1)Nc1ccccc1 2323068448 WZLXJEGXWNKSBJ-UHFFFAOYSA-N 457.537 6.362 50 10 JKGE CCCCOC(=O)c1ccccc1NC(=O)C(C#N)=CN(c1ccccc1)c1ccc(N)cc1 2325309664 KEMYFFPXIIDXAS-UHFFFAOYSA-N 454.530 5.410 50 10 JKGE CCn1cc(C=C2Oc3cc(OCc4ccc(CCl)cc4)cc(C)c3C2=O)c2ccccc21 2325339596 MQBFDPSPDXWZSI-UHFFFAOYSA-N 457.957 6.904 50 10 JKGE Cc1ccc(C)c(-c2csc(C(C#N)=C(O)c3ccc4c(c3)C(=O)N(Cc3ccccn3)C4=O)n2)c1 2331319369 LYRBJQSJTDUBCV-UHFFFAOYSA-N 492.560 5.568 50 10 JKGE CCCCCCCOc1ccc(-c2csc(C(C#N)=C(O)c3ccc(OCC(C)C)cc3)n2)cc1 2331346028 SOYVGPZFXPMLAU-UHFFFAOYSA-N 490.669 8.144 50 10 JKGE C[C@@H](c1ccccc1)N1C[C@@H](C(O)=C(C#N)c2nc(-c3c[nH]c4ccccc34)cs2)CC1=O 2331347152 ZOWRUBBFRXIPGP-WMZOPIPTSA-N 454.555 5.694 50 10 JKGE COc1cc(-c2csc(C(C#N)=C(O)Cc3ccc(OC(C)C)cc3)n2)c(OC)cc1Cl 2331377221 ZABIUBZAUWUZFK-UHFFFAOYSA-N 470.978 6.303 50 10 JKGE COc1cc(F)cc([C@H](Br)c2ccc(OCc3ccccc3)cc2Br)c1 2336043183 CVLAOTULADKULH-NRFANRHFSA-N 480.171 6.660 50 10 JKGE Fc1cc(F)c([C@H](Cl)c2cc(Br)ccc2OCc2ccccc2)cc1Cl 2336074291 DNAGYYLDKFITRY-FQEVSTJZSA-N 458.129 7.288 50 10 JKGE Fc1c(Br)cc(Cl)c([C@H](Br)[C@@H]2[C@H]3C[C@@H]4[C@H]2[C@@H]4C3)c1Br 2337106116 FFBCCWCTJAHZCO-YCTIGEMHSA-N 473.405 6.342 50 10 JKGE Cc1cc(Br)c(F)c(Br)c1[C@H](Br)[C@@H]1C[C@@H](C)O[C@H]1C 2339652185 WWKKGHUIPNESMQ-JXVAYASWSA-N 458.991 5.909 50 10 JKGE Cc1cc(Br)c(F)c(Br)c1[C@@H](Br)[C@@H]1[C@H]2COCC[C@H]21 2339656549 OWZUTCTULKALSY-UFGYURQFSA-N 456.975 5.378 50 10 JKGE COc1c(Br)cc(C)c([C@H](Br)[C@H]2CO[C@H](C)C2)c1Br 2339689195 NGIAXDIXDHTMCU-KBVBSXBZSA-N 457.000 5.390 50 10 JKGE COc1c(Cl)cc(CO[C@H](CCl)[C@H](I)CCl)cc1Cl 2340057960 MEDZTCOHSOYMAR-GHMZBOCLSA-N 457.950 5.168 50 10 JKGE Cl[C@@H](c1cc2c(cc1Br)OCCC2)c1sccc1I 2343588567 NGDZXFDIRJLMQY-ZDUSSCGKSA-N 469.569 5.768 50 10 JKGE Fc1cccc(Br)c1[C@@H](Cl)c1c(F)cc(Cl)c(Br)c1Cl 2360427864 CMMHJMBPABLPPH-GFCCVEGCSA-N 465.346 7.125 50 10 JKGE BrCC1(COCc2cc(Br)cc(Br)c2)CCCCCC1 2362257492 IGZRIHRYCJBJEN-UHFFFAOYSA-N 469.055 6.464 50 10 JKGE Cc1cc(Br)c(F)c(Br)c1[C@@H](Br)C1CC2(CCCO2)C1 2365189174 RYOHDQSRIQZYDJ-RHJSQNMRSA-N 471.002 6.054 50 10 JKGE Cc1cc(Br)c(F)c(Br)c1[C@H](Cl)c1c(F)cccc1Br 2365189434 VBTVMBPSQCRNOY-ZDUSSCGKSA-N 489.379 6.889 50 10 JKGE COc1c(Br)cc(C)c([C@H](Br)[C@@H]2CCC[C@@H](C)C2)c1Br 2365189519 VUMLGWIKBVHMCB-GLXFQSAKSA-N 469.055 6.791 50 10 JKGE COc1c(Br)cc(C)c([C@@H](Br)C[C@@H]2C[C@H]3C[C@H]3C2)c1Br 2365191808 RJUUAHAJXXRBFV-USZNOCQGSA-N 467.039 6.401 50 10 JKGE CC(C)(C)[C@@H]1CC[C@@H]1[C@H](Br)c1c(F)cc(Br)c(F)c1Br 2369054917 ICBKPZHUKJGRBL-SXMVTHIZSA-N 475.009 6.998 50 10 JKGE CCOc1cc(Cl)c([C@H](Br)c2csc(C)c2Br)cc1Cl 2369593118 CQJBYMDPXXXBQJ-AWEZNQCLSA-N 459.030 7.009 50 10 JKGE CN(Cc1c(Br)cccc1Br)CC1(CBr)CC(C)(C)C1 2371131399 MIIPCMUSNAQNSV-UHFFFAOYSA-N 468.071 5.845 50 10 JKGE ClC[C@@]1(Cc2ccc(I)c(Br)c2)CCCCC12CCC2 2377330339 DOOUXFUEPZVCRR-KRWDZBQOSA-N 467.616 6.566 50 10 JKGE CCCc1sc(Br)cc1[C@H](Br)c1cc(F)c(Cl)cc1Cl 2379732946 BHKFEIGVCKYNRV-CQSZACIVSA-N 461.021 7.393 50 10 JKGE O=C(NC1CCCCC1)[C@H](c1ccc(Cl)cc1)N(CCc1ccc(Cl)cc1)C(=O)CCl 3035228 GHGLUYVDDHFGCP-QHCPKHFHSA-N 481.851 5.794 50 10 JKGE C/C(=N/NC(=O)c1cc(-c2cccnc2)nc2ccccc12)c1cc(Cl)cc(Cl)c1O 12591535 BOODUSAEEBYNGU-QDTIIGTASA-N 451.313 5.463 50 10 JKGE COc1cccc2cc(-c3nn(-c4ccccc4)cc3/C=C(/C#N)C(=O)NCCc3ccccc3)oc12 33515894 OHSNZJQCQRMUJO-QJOMJCCJSA-N 488.547 5.560 50 10 JKGE CC(C)(C)c1ccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)COc4ccc(F)cc4)ccc32)cc1 38649715 OIUYWUAXTATTRY-AREMUKBSSA-N 472.516 5.326 50 10 JKGE CC(C)c1ccc(O[C@H](C)C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@H]3c2cccc([N+](=O)[O-])c2)cc1 38654182 IOUBGIXQSCVUJJ-QUGAMOGWSA-N 499.523 5.309 50 10 JKGE C=CCOc1ccc(C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@@H]3c2ccc(OCC)c(OC)c2)cc1 38659580 IDGCXYXCBWUEQN-HHHXNRCGSA-N 498.535 5.096 50 10 JKGE N#CC1=C(N)Oc2cc(OC(=O)c3ccccc3)ccc2[C@@H]1c1cccc(OCc2ccccc2)c1 38686491 APLBXEWRWAEDEH-NDEPHWFRSA-N 474.516 5.703 50 10 JKGE CCc1ccc2oc(C(=O)Oc3ccc4c(c3)OC(N)=C(C#N)[C@H]4c3ccccc3OC)c(C)c2c1 38687262 HXNDDBXDHJDUBI-SANMLTNESA-N 480.520 5.750 50 10 JKGE COc1c(Cl)cc(C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@H]3c2ccccc2F)cc1Cl 38687965 FPWLZQYWESROHL-NRFANRHFSA-N 485.298 5.578 50 10 JKGE CCCCC1CCC(C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@H]3c2ccc(C(=O)OC)cc2)CC1 38700937 AQBGNCBRQYXLQR-MPZYELNSSA-N 488.584 5.593 50 10 JKGE CCCCc1ccc(NC(=O)c2oc3c(c2C)/C(=N/NC(=O)c2ccccc2Cl)CCC3)cc1 40812594 SWUGKLOQEMGZHS-JBASAIQMSA-N 477.992 6.307 50 10 JKGE CCCCCCOc1ccc(/C=C(\C#N)C(=O)NC2CCCCCCCCCCC2)cc1OC 40841256 SQBJJEIBNFEMBO-NJNXFGOHSA-N 468.682 7.351 50 10 JKGE CCCCOc1ccc(/C=N/NC(=O)COc2ccc(Br)cc2C(C)C)cc1OC 40950989 AYHFHTHHVQPYFW-AFUMVMLFSA-N 477.399 5.289 50 10 JKGE N#C/C(=C/c1cc(Cl)ccc1OCc1cccc(F)c1)C(=O)Nc1cccc(C(F)(F)F)c1 59255690 XPXPRQHBJNTHRS-YVLHZVERSA-N 474.841 6.623 50 10 JKGE CCOc1ccc(NC(=O)/C(C#N)=C/c2ccc(OCc3ccc(Cl)c(Cl)c3)cc2)cc1 59282061 KEDBZZJIZFJSMI-CPNJWEJPSA-N 467.352 6.517 50 10 JKGE N#C/C(=C/c1ccc(COc2ccc(Br)cc2)o1)C(=O)Nc1cccc2ccccc12 96438582 RDLIPNZMUNVTNW-JXAWBTAJSA-N 473.326 6.320 50 10 JKGE Cc1cc(OCCn2cc(/C=C(/C#N)C(=O)NCc3ccco3)c3ccccc32)ccc1Cl 96577045 JNKMNAUAQFQMCX-RGEXLXHISA-N 459.933 5.499 50 10 JKGE C[C@H](NC(=O)/C(C#N)=C\c1cn(Cc2cccc(C(F)(F)F)c2)c2ccccc12)c1ccccc1 98063440 KJCKRSUBGNLGDM-UQRWVXEISA-N 473.498 6.493 50 10 JKGE CC(C)c1ccc(N2C(=O)[C@H](Cc3ccccc3)S/C2=C(/C#N)C(=O)NCc2ccccc2)cc1 101240916 JWFNRJJOJZFJOJ-HFVAWESISA-N 481.621 5.553 50 10 JKGE CCCCCN1C(=O)C(C#N)=C(C)/C(=C\c2cn(-c3ccc([N+](=O)[O-])cc3)nc2-c2ccccc2)C1=O 101333335 QLXSOSDYSBGINL-LFVJCYFKSA-N 495.539 5.230 50 10 JKGE CCOc1ccc(-c2nn(-c3ccccc3)cc2/C=C2/C(=O)N([C@@H](C)CC)C(=O)C(C#N)=C2C)cc1 101334064 TYYKIRDQZFBOLM-PTFSYIGCSA-N 480.568 5.329 50 10 JKGE N#C/C(=C\Nc1cccc([N+](=O)[O-])c1)c1nc(-c2cc3c(ccc4ccccc43)oc2=O)cs1 103953680 STXFBTLOVPAUTK-DTQAZKPQSA-N 466.478 5.954 50 10 JKGE Cc1ccc(N/C(SCc2ccccc2F)=C(\C#N)S(=O)(=O)c2ccccc2)cc1C 104688913 UZZVHFDXKCSZLS-VHXPQNKSSA-N 452.576 5.954 50 10 JKGE COc1c(Br)cc(Cl)cc1[C@@H](Br)Cc1ccc(Br)cc1 109836635 HYWOCRYJYKJRPT-ZDUSSCGKSA-N 483.425 6.552 50 10 JKGE Brc1ccc(Br)c([C@H](Br)c2ccc3c(c2)OCCO3)c1 109844746 KHIAGGDHTXTKKE-OAHLLOKOSA-N 462.963 5.467 50 10 JKGE Cc1cccc(C(CBr)(CBr)Cc2ccccc2Br)c1 118877619 JZRPTFVGJYTDSN-UHFFFAOYSA-N 461.035 6.028 50 10 JKGE Fc1cc(F)cc(CC(CBr)(CBr)c2ccc(Br)cc2)c1 128187577 MBCUDPIMNJAWOS-UHFFFAOYSA-N 482.988 5.998 50 10 JKGE COc1ccc([C@H](Br)c2cc(Br)c(Br)s2)cc1OC 128255949 BBUFQRSOZGZYOY-LBPRGKRZSA-N 471.008 5.775 50 10 JKGE CC[C@H](NC(=O)/C(C#N)=C\Nc1ccc(Nc2ccccc2)cc1)c1ccc2c(c1)CCCC2 217190977 YIEHPJFCZSRLSX-VXHROTETSA-N 450.586 6.396 50 10 JKGE Cc1cc([C@H](Cl)c2cc(Br)cc(Br)c2)sc1Br 235878967 DLVAPUCXTRAINN-LLVKDONJSA-N 459.428 6.672 50 10 JKGE O=C(NN=Cc1ccc(Sc2nc3ccccc3s2)o1)c1cccc(Br)c1 252590549 ATFNWJZWIZMIPP-UHFFFAOYSA-N 458.362 5.567 50 10 JKGE COc1ccc(C=NNC(=O)COc2ccc(Cl)cc2)cc1OCc1ccc(Cl)cc1Cl 252607581 HCRIZTDROWTZEM-UHFFFAOYSA-N 493.774 5.764 50 10 JKGE C[C@H]1CCC[C@@H](C)N1C(=O)COc1ccc(C(=O)NN=Cc2ccc(-c3ccccc3)cc2)cc1 254305135 BCNCFLSSDVWFDV-SZPZYZBQSA-N 469.585 5.286 50 10 JKGE Clc1ccc(Br)c([C@@H](Br)c2cc3c(cc2Br)OCC3)c1 308415192 MFLXKMAUVVZIDY-HNNXBMFYSA-N 481.409 6.284 50 10 JKGE Cc1c(Br)cccc1[C@H](Cl)c1cc(I)cc2c1OCC2 379975043 IPANRBNQSQPIHZ-HNNXBMFYSA-N 463.540 5.625 50 10 JKGE Clc1cccc(C(CBr)(CBr)CCCOCc2ccccc2)c1 381962107 HJJUWFJQFNIEPN-UHFFFAOYSA-N 460.637 6.365 50 10 JKGE Fc1cc(Br)c([C@@H](Cl)c2cc(Br)sc2Br)c(F)c1F 398534533 UAOYYJLYOFNEQR-QMMMGPOBSA-N 499.371 6.781 50 10 JKGE Cc1c(Br)cccc1[C@H](Br)c1ccc(F)c(Br)c1F 691629584 JQXIIBCYVSGFLY-LBPRGKRZSA-N 454.934 6.283 50 10 JKGE O=C(NN=Cc1cn(Cc2ccc(F)cc2)c2ccccc12)c1ccccc1Br 1083934781 MQHHFIYUVSFPTJ-UHFFFAOYSA-N 450.311 5.355 50 10 JKGE O=C(CCCSc1nc2ccc([N+](=O)[O-])cc2s1)NN=Cc1cccc2ccccc12 1083989805 QWEKRCHZLMCBFC-UHFFFAOYSA-N 450.545 5.380 50 10 JKGE Cc1cccc(COc2ccc(Br)cc2C=NNC(=O)CC[C@H](O)c2ccccc2)c1 1084368354 GGSQNXPVLLOBEF-QHCPKHFHSA-N 481.390 5.300 50 10 JKGE CCOc1cc(/C=C(/C#N)C(=O)Nc2cccc3ccccc23)cc(Br)c1OC 1084386180 NBJSZDJXGIQNSB-BOPFTXTBSA-N 451.320 5.555 50 10 JKGE Cc1ccc(-n2nc(C)c(C=NNC(=O)COc3ccc(C(C)(C)c4ccccc4)cc3)c2C)cc1C 1084417357 HCMCCFALRXTIIF-UHFFFAOYSA-N 494.639 5.961 50 10 JKGE COc1cccc(C=NNC(=O)CSc2nc3ccccc3s2)c1OCc1ccc(C)cc1 1772760467 OSTKTBDSZXTSSA-UHFFFAOYSA-N 477.611 5.435 50 10 JKGE CCCCOc1ccc([C@@H]2C(C#N)=C(N)Oc3c2c(C)nn3-c2cccc3ccccc23)cc1OCC 1865687442 RJQQQWBWFOGPEW-MUUNZHRXSA-N 494.595 6.130 50 10 JKGE Cc1ccc(COc2ccc([C@@H]3C(C#N)=C(N)Oc4c3c(C)nn4-c3ccc(C)cc3)cc2)cc1 1865692177 BRVNIDRAYNOKJX-HHHXNRCGSA-N 462.553 5.595 50 10 JKGE CCOc1ccc([C@@H]2C(C#N)=C(N)Oc3c2c(-c2ccc(OC)cc2)nn3-c2ccccc2Cl)cc1 1865693373 JAEITCCSVBVFGB-XMMPIXPASA-N 498.970 5.818 50 10 JKGE N#CC1=C(N)Oc2c(c(-c3ccccc3)nn2-c2ccc(Cl)c(Cl)c2)[C@H]1c1cccs1 1865698525 WGTSLKYSXNZGMV-LJQANCHMSA-N 465.365 6.126 50 10 JKGE CCCc1nn(-c2cccc3ccccc23)c2c1[C@@H](c1cn(C)c3ccccc13)C(C#N)=C(N)O2 1865699516 WDUPBPPPDKDFBX-AREMUKBSSA-N 459.553 5.688 50 10 JKGE CCc1nn(CC)c2c1[C@H](c1ccc(OCc3ccc(Cl)cc3Cl)c(OC)c1)C(C#N)=C(N)O2 1865703980 KCMVLXKZCGHRDL-JOCHJYFZSA-N 499.398 5.578 50 10 JKGE N#CC1=C(N)Oc2c(c(-c3ccccc3)nn2-c2ccc(Cl)cc2)[C@@H]1c1cccc([N+](=O)[O-])c1 1865706415 WFZJXVFQJBQFKH-OAQYLSRUSA-N 469.888 5.319 50 10 JKGE Cc1ccc(-c2ccc(C(=O)NNC(=O)c3ccc(OCc4ccccc4)cc3)c(C)n2)cc1C 1865756347 TVHHBLCYYGKHKJ-UHFFFAOYSA-N 465.553 5.328 50 10 JKGE Cc1ccc([C@@H](C(=O)N[C@@H](Cc2ccccc2)C(=O)Nc2ccc(SC#N)cc2)C(C)C)cc1 1866955770 JAZJLYKHFGVNNA-UIOOFZCWSA-N 471.626 5.674 50 10 JKGE COCCc1nc(Nc2ccc(SC#N)cc2)cc(N2CCC(=O)c3cc(C(C)(C)C)ccc32)n1 1868253779 SVBKFYUNCDPANA-UHFFFAOYSA-N 487.629 6.004 50 10 JKGE Cc1c(OCc2ccc(CCl)cc2)ccc2c1O/C(=C\c1ccc(-c3ccccc3)cc1)C2=O 1871437014 WRTXIWSBTCPJHH-QRQIAZFYSA-N 466.964 7.596 50 10 JKGE CCCCc1ccc(-c2csc(/C(C#N)=C(\O)CN3C(=O)COc4ccc(Cl)cc43)n2)cc1 1872744949 QGZIACZYQPMKRR-QOCHGBHMSA-N 479.989 6.024 50 10 JKGE N#C/C(=C\c1cccc(OCc2ccccc2)c1)c1nc(-c2ccc(Cl)c(Cl)c2)cs1 1872790517 OFMINAQAHKNQOW-RGVLZGJSSA-N 463.389 7.760 50 10 JKGE CCCOc1ccc(-c2csc(/C(C#N)=C(O)/C=C/c3ccccc3Cl)n2)cc1OCCC 1872818150 OOOOBODATXPLPC-RULQDPSVSA-N 481.017 7.547 50 10 JKGE Cl[C@@H](c1ccc(Br)s1)c1cc(Br)ccc1OCc1ccccc1 1899860318 GDPZDVNDMLRHQF-GOSISDBHSA-N 472.629 7.180 50 10 JKGE Cc1sc(C)c(S(=O)(=O)N(Cc2ccccc2)[C@H](CCl)C(C)C)c1Br 1915280149 KGDICLMERCBOBT-MRXNPFEDSA-N 464.878 5.582 50 10 JKGE Cc1cc([C@@H](Br)c2cc(Br)c(Cl)cc2F)oc1Br 1917618212 VRZKZMKMYYKMQP-NSHDSACASA-N 461.350 6.390 50 10 JKGE Fc1cccc(C[C@H](Br)c2c(Br)sc(Br)c2Cl)c1 1923037540 DLCKPRXUQUCEPH-QMMMGPOBSA-N 477.418 6.744 50 10 JKGE COc1sccc1[C@@H](Br)c1c(Br)sc(Br)c1Cl 1923071283 IBLLHBBHASBIAQ-ZCFIWIBFSA-N 481.456 6.481 50 10 JKGE Brc1cnccc1C[C@@H](Br)c1csc(I)c1 1924038954 HBCRRENFEOMTEX-SECBINFHSA-N 472.971 5.189 50 10 JKGE Cl[C@H](c1ccsc1)c1c(Br)sc(Br)c1Br 1924576138 KJJLZPGXLCAJNZ-SSDOTTSWSA-N 451.430 6.425 50 10 JKGE Clc1ccc([C@H](Br)Cc2ncccc2Br)c(Br)c1 1924861333 NYCJTCKMIRIEAX-GFCCVEGCSA-N 454.387 5.939 50 10 JKGE Clc1cc(Br)cc(CN(Cc2ccccc2)C2(CBr)CCC2)c1 1979520135 NBECZQJWXTWARN-UHFFFAOYSA-N 457.637 6.422 50 10 JKGE BrCc1cc(Br)cc(Br)c1OC[C@H]1C[C@@H](Br)C1 2020239673 SFTMXPRPEWQOQL-OTSSQURYSA-N 491.843 5.659 50 10 JKGE Fc1cc(Cl)c(Br)cc1[C@H](Br)c1cccc(OCc2ccccc2)c1 2036578000 MVFOEWWZOYMTFI-HXUWFJFHSA-N 484.590 7.305 50 10 JKGE CC[C@H]1CN(C(=O)OCc2ccccc2)[C@H](CC)CN1CC(CC)(CC)CBr 2044626843 LXYWLSYPCQYYNE-LEWJYISDSA-N 453.465 5.699 50 10 JKGE CCc1cc(Br)c([C@@H](Br)c2nn(CC)cc2Br)s1 2060854968 BEWOTPURCUPMQZ-JTQLQIEISA-N 457.029 5.536 50 10 JKGE Cc1nn(-c2cc(C(F)(F)F)cc(C(F)(F)F)c2)c2c1C(=O)[C@H](Br)C(C)(C)C2 2080384074 SIJQXYJANISNQF-HNNXBMFYSA-N 469.223 5.747 50 10 JKGE COc1cc(F)c([C@H](Br)c2sccc2Br)cc1Br 2082783083 WVNLGUAXAJGUEV-NSHDSACASA-N 458.972 5.905 50 10 JKGE COc1ccc(Br)cc1[C@H](Cl)Cc1ccccc1I 2087563999 MNLVGIYCZYTQIH-CYBMUJFWSA-N 451.529 5.585 50 10 JKGE Clc1ccc(I)c(CN2CC[C@@H]3C[C@@H](Br)CC[C@@H]32)c1 2087663003 GORKKCBZIAUPOF-GMXABZIVSA-N 454.577 5.083 50 10 JKGE Fc1cccc(C[C@@H](Br)c2cccc(Br)c2Br)c1F 2092336269 WAUBKYIZRKJUII-LLVKDONJSA-N 454.934 6.169 50 10 JKGE CCn1ncc(Br)c1[C@@H](Br)c1cc(C)c(Br)cc1C 2094271319 NZNVGMLPEMJAQP-ZDUSSCGKSA-N 451.000 5.529 50 10 JKGE O=S(=O)(c1cc(CCl)ccc1Br)N(Cc1ccccc1)C1CCCCC1 2095890955 XPFQWZJSGWRYBG-UHFFFAOYSA-N 456.833 5.712 50 10 JKGE BrC[C@H]1CCC2(CC2)CN1Cc1cccc(Br)c1Br 2097884072 BJEOUWFRTQEUIU-GFCCVEGCSA-N 452.028 5.351 50 10 JKGE Fc1c(Cl)cccc1C[C@H](Cl)c1cc(I)ccc1Br 2113464131 SPDKGBIFBZXIMK-ZDUSSCGKSA-N 473.938 6.369 50 10 JKGE CC(C)(C)N1C[C@@H](Br)[C@H](Cc2cc(Br)ccc2Br)C1 2118529186 BYPTYMOOVVADOB-BXUZGUMPSA-N 454.044 5.248 50 10 JKGE COc1cc(F)c(Cl)cc1[C@H](Br)c1csc(Br)c1Br 2142378807 SBWMOOSFQCBALN-JTQLQIEISA-N 493.417 6.559 50 10 JKGE Cc1cc(Br)c([C@H](Br)[C@@H]2CC[C@H]3[C@@H](C2)C3(F)F)cc1Br 2146948125 YILHJXIUFVOHEN-JMLLCIOISA-N 472.993 6.637 50 10 JKGE C[C@H](Br)C[C@@H]1CCCCN1C(=O)c1c(Br)cccc1Br 2150489342 BLACFRXBMPHSJS-QWRGUYRKSA-N 468.027 5.380 50 10 JKGE FC(F)(F)Oc1ccc([C@H](Br)c2sccc2Br)cc1Cl 2163399622 WAUTZYIHTZNXSA-JTQLQIEISA-N 450.501 6.547 50 10 JKGE Cc1c(Cl)cc([C@@H](Br)c2cc(F)c(Br)cc2F)cc1Br 2167393188 ACMPICAOMKFDLS-CQSZACIVSA-N 489.379 6.936 50 10 JKGE ClCCc1nc2cc(Cl)c(Br)cc2n1C1[C@H]2CN(Cc3ccccc3)C[C@H]12 2169003942 KAALLLFWMDRWQU-GJZGRUSLSA-N 465.222 5.536 50 10 JKGE FC1(F)CCC2(CC1)[C@H](Br)C[C@H]2Oc1ccccc1I 2177594955 CBCROCYIJPXVGJ-CHWSQXEVSA-N 457.096 5.402 50 10 JKGE C[C@@]1(CC(CBr)(CBr)c2ccccc2Br)CSCCO1 2201226714 IYQRFGWAEVLVMX-CQSZACIVSA-N 487.095 5.389 50 10 JKGE COc1c(Br)cc(C)cc1[C@H](Br)c1ccc(Br)c(C)c1 2203821864 BZSAOFZGDWRWAA-OAHLLOKOSA-N 463.007 6.321 50 10 JKGE CCC[C@H]1CN(C(=O)c2cc(Br)ccc2Br)C[C@@H]1CBr 2205703168 MELKCJQBCBMSRN-QWRGUYRKSA-N 468.027 5.095 50 10 JKGE COc1cc(F)c(Cl)cc1[C@@H](Br)c1cc(Br)ccc1Br 2207361661 IMBBWPGYFXPAOT-AWEZNQCLSA-N 487.388 6.497 50 10 JKGE Cc1sc(C(=O)N(Cc2ccccc2)C2(CBr)CCC2)c(Br)c1C 2215946051 JMCDQIBGNGSFRP-UHFFFAOYSA-N 471.258 6.087 50 10 JKGE C[C@H](Cl)c1nc2cc(Br)c(Br)cc2n1[C@H](C)COCc1ccccc1 2218654810 JDRCEORSQDXWAT-OLZOCXBDSA-N 486.635 6.639 50 10 JKGE Cc1sc(Br)c(C)c1[C@H](Cl)c1ccc(I)c(Cl)c1 2218806756 XXOVTGNYFTTWHT-GFCCVEGCSA-N 476.004 6.714 50 10 JKGE FCC12CC([C@H](Br)c3cc(Br)c(Br)cc3F)(CO1)C2 2225617040 LMBOPOFFTGBTRY-PNESKVBLSA-N 460.938 5.305 50 10 JKGE Fc1ccc(C[C@@H](Br)c2cc(Br)c(Br)cc2F)cc1 2225617385 TZUWWESJROGRNW-LLVKDONJSA-N 454.934 6.169 50 10 JKGE COc1cc(Cl)c([C@H](Br)c2cc(Br)c(C)s2)cc1Br 2226090083 VBFXEKZYEWDSRW-ZDUSSCGKSA-N 489.454 6.728 50 10 JKGE Cc1cc(Br)c(C)c([C@@H](Cl)c2nn(C)nc2Br)c1Br 2226973062 UXZBLGAPYBXHOG-SNVBAGLBSA-N 472.406 5.048 50 10 JKGE Cc1cc(Br)c([C@@H](Br)c2cccc(F)c2)c(C)c1Br 2227351121 ZUZIVCVIAVDDNL-HNNXBMFYSA-N 450.971 6.452 50 10 JKGE COc1cc(Br)c([C@@H](Br)c2ccccc2I)cc1C 2227713193 HJKDJIHZYGYEKZ-HNNXBMFYSA-N 495.980 5.855 50 10 JKGE Clc1ccc(I)c([C@H](Cl)Cc2ccc(Br)cc2Cl)c1 2229145670 YPMWUTJDAVRWJD-CYBMUJFWSA-N 490.393 6.883 50 10 JKGE Cc1ccc([C@H](Br)Cc2ccc(Br)cc2Cl)c(Br)c1 2229152211 PQVYCIXYJHVBQD-CQSZACIVSA-N 467.426 6.852 50 10 JKGE ClCc1nc2cc(Br)c(Br)cc2n1C[C@@H]1CSCCS1 2234067386 OAOIBNZLYLKNAB-MRVPVSSYSA-N 456.656 5.149 50 10 JKGE ClCCc1nc2cc(Br)c(Br)cc2n1-c1ccsc1Cl 2234067802 NPMJPVVKLNXTSJ-UHFFFAOYSA-N 455.002 6.047 50 10 JKGE Clc1cc([C@@H](Br)c2ccc3c(c2Br)CCO3)ccc1Br 2238081345 FDRDIUDRGGFJDE-CQSZACIVSA-N 481.409 6.284 50 10 JKGE Clc1cccc([C@@H](Br)Cc2ncccc2Br)c1Br 2256123972 SSNJQCOUIIXUPE-JTQLQIEISA-N 454.387 5.939 50 10 JKGE Clc1c(Br)sc(Br)c1[C@H](Br)C[C@@H]1CCCCC12CC2 2264962460 VNDMKCNAYGBBLB-DTWKUNHWSA-N 491.514 7.723 50 10 JKGE COc1ccc([C@@H](Cl)c2cccc(OCc3ccccc3)c2)c(Br)c1Cl 2268263877 MQJMKNMDBVHOKH-FQEVSTJZSA-N 452.175 7.018 50 10 JKGE COC[C@]1(C)C[C@H]1[C@@H](Br)c1c(Br)cc(Cl)c(Cl)c1Cl 2269305516 YAFYHLKYRJDYOY-ULTOFOOGSA-N 451.413 6.518 50 10 JKGE C[C@H]1Cc2cc([C@@H](Br)c3cc(Br)co3)cc(Br)c2O1 2270463348 GNUHAAVIWLSOHC-WPPNPWJKSA-N 450.952 5.612 50 10 JKGE COc1c(Br)cc(Cl)c(C)c1[C@H](Br)c1cc(Br)co1 2277884960 USYVXLXJNUUHTA-GFCCVEGCSA-N 473.386 6.259 50 10 JKGE Fc1ccc(F)c([C@@H](Br)Cc2cc(Br)cc(Br)c2)c1 2277895519 DWOVTNHGCZBTRJ-ZDUSSCGKSA-N 454.934 6.169 50 10 JKGE CC[C@H](C[C@@H](Br)Cc1cc(Br)cc(Br)c1)C(C)(C)C 2277950343 VAYAPACQBZBHNQ-OLZOCXBDSA-N 455.072 6.980 50 10 JKGE COc1cc(OC)c([C@@H](Cl)c2cscc2OCc2ccccc2)cc1Br 2278033112 XFOXZLZKLKFGQJ-HXUWFJFHSA-N 453.785 6.435 50 10 JKGE Cc1cc(Br)c([C@H](Br)c2cccc(Br)c2C)c(C)c1F 2279144202 LGCVGIHHZHECIH-OAHLLOKOSA-N 464.998 6.760 50 10 JKGE COc1cc(C=C(C#N)c2ccc(Cl)cc2)ccc1OC(=O)c1ccccc1Br 2293124069 UDCVNEOMVLHUHR-UHFFFAOYSA-N 468.734 6.394 50 10 JKGE CC(C)(CBr)CCCNC(=O)Cc1cc(Br)cc(Br)c1 2295315243 JDDQEADYHDCMFH-UHFFFAOYSA-N 470.043 5.072 50 10 JKGE Brc1cc(Br)cc(C[C@@H](Br)c2cc3ccccc3o2)c1 2295337769 ODXWYWCJOBSVNS-CQSZACIVSA-N 458.975 6.637 50 10 JKGE N#CC(C(=O)Nc1ccccc1Cl)=C1S[C@@H](Cc2ccc(F)cc2)C(=O)N1c1ccccc1 2296507130 URJGSHVAOBKKAK-QFIPXVFZSA-N 477.948 5.544 50 10 JKGE CCOC(=O)c1c(NC=C(C#N)c2nc(-c3ccc(F)cc3)cs2)sc2c1CCCC2 2296802174 WXTPAUUPCVKCEB-UHFFFAOYSA-N 453.564 6.043 50 10 JKGE Cc1sc([C@@H](Cl)c2sc(Cl)cc2I)c(Br)c1C 2300953395 IYXSZJVTNKINAC-VIFPVBQESA-N 482.033 6.775 50 10 JKGE Cc1sc(Br)c(C(=O)N[C@@H](CCBr)COCc2ccccc2)c1C 2303545027 LZJSXHFKLBDCDP-HNNXBMFYSA-N 475.246 5.228 50 10 JKGE Cc1scc([C@@H](Cl)c2cc(Br)ccc2Br)c1Br 2303644548 SEGMXJTXJJUIIZ-LBPRGKRZSA-N 459.428 6.672 50 10 JKGE CC1(C)[C@H]2CO[C@]1([C@H](Br)c1c(Br)sc(Br)c1Cl)C2 2313361958 FXWKFKZLDCFNHC-RFSVNVOPSA-N 479.459 6.178 50 10 JKGE CCOc1cc(C=C(C#N)C(=O)Nc2ccc(C)cc2)cc(Cl)c1OCc1cccc2ccccc12 2313568262 QSUXAUROIFXGHS-UHFFFAOYSA-N 496.994 7.325 50 10 JKGE Cc1cc(C=C(C#N)C(=O)Nc2cccc(Cl)c2Cl)c(C)n1-c1ccc(C(=O)O)cc1 2313571042 LYWFYHZSRIHGIJ-UHFFFAOYSA-N 454.313 5.645 50 10 JKGE O=C(CCCSc1nnc(CCc2ccccc2)n1-c1ccccc1)NN=CC=Cc1ccccc1 2313587787 AWKXDWPRQZRMNG-UHFFFAOYSA-N 495.652 5.740 50 10 JKGE Cc1cccc(NC(=O)C(C#N)=Cc2cn(Cc3ccc(Cl)c(Cl)c3)c3ccccc23)c1C 2313667778 WEFHRTVTDPRSKU-UHFFFAOYSA-N 474.391 7.159 50 10 JKGE CS[C@H]1C[C@H](COc2c(Br)cc(Br)cc2CBr)C1 2314156815 JSDZMVLHOBVWLD-JLIMDTESSA-N 459.041 5.627 50 10 JKGE Brc1ccc(OCc2ccccc2)c([C@@H](Br)C23CCC(CC2)OC3)c1 2314443844 ISEUEZUVPFXKEX-TWMPVWRBSA-N 466.213 6.423 50 10 JKGE FC1(F)[C@@H]([C@H](Br)c2cc(Br)ccc2OCc2ccccc2)C12CCC2 2314456205 VFIXEKCYIDYJFJ-MSOLQXFVSA-N 472.167 6.900 50 10 JKGE CC(C)(C)C1CC([C@H](Br)c2cc(Br)ccc2OCc2ccccc2)C1 2314458055 ATYHEPSNTSZYFQ-BPZDKFOGSA-N 466.257 7.536 50 10 JKGE CCc1occ(C)c1[C@@H](Br)c1ccc(OCc2ccccc2)cc1Br 2314460019 MPXGTVXSOPDEBD-NRFANRHFSA-N 464.197 6.976 50 10 JKGE C[C@]1(C(F)(F)F)C[C@H]1[C@@H](Br)c1ccc(OCc2ccccc2)cc1Br 2314497221 IVEZNWAAZJZWGH-SZMVWBNQSA-N 478.146 7.053 50 10 JKGE COc1c(Br)cc(Cl)cc1[C@@H](Br)c1cnsc1Br 2315622352 XFNDQHPYWNWCOF-SECBINFHSA-N 476.415 5.814 50 10 JKGE Fc1cccc(Cl)c1C[C@H](Br)c1sc(Cl)cc1I 2316775335 QYYZJCNXMOJACD-ZETCQYMHSA-N 479.967 6.477 50 10 JKGE COc1ccc(NC(=O)C(C#N)=CN2CCN(C(c3ccccc3)c3ccccc3)CC2)cc1Cl 2324397402 NDZDTUZZAHWYTH-UHFFFAOYSA-N 487.003 5.102 50 10 JKGE COc1ccc([C@H](C)NC(=O)C(C#N)=CNc2ccc(-c3nc4ccc(C)cc4s3)cc2)cc1OC 2325051626 QBEAURKIEFTBBP-SFHVURJKSA-N 498.608 5.986 50 10 JKGE Cc1ccc2nc(-c3ccc(NC=C(C#N)C(=O)Nc4cc(Cl)ccc4C)cc3)sc2c1 2325145665 XMVIUDUPBQIQOZ-UHFFFAOYSA-N 458.974 6.692 50 10 JKGE C[C@@H](Oc1ccc(Cl)cc1)C(O)=C(C#N)c1nc(-c2ccc(-c3ccccc3)cc2)cs1 2331231997 YLOMJNWESYWHNK-QGZVFWFLSA-N 458.970 7.391 50 10 JKGE COc1ccc(OCC(O)=C(C#N)c2nc(-c3ccc(Br)cc3)cs2)c(C(C)(C)C)c1 2331260575 OVVMAAUNNUQAJH-UHFFFAOYSA-N 499.430 6.750 50 10 JKGE N#CC(=C(O)CCCOc1ccc(Cl)cc1)c1nc(-c2ccc(Cl)c(Cl)c2)cs1 2331311611 CQOCKJFAWUUSKH-UHFFFAOYSA-N 465.789 7.422 50 10 JKGE C[C@H](Oc1ccc(Cl)cc1Cl)C(O)=C(C#N)c1nc(-c2ccc3c(c2)OCCO3)cs1 2331330692 BQACVQACTYIHQW-LBPRGKRZSA-N 475.353 6.148 50 10 JKGE CC[C@@H](C)[C@@H](C(O)=C(C#N)c1nc(-c2ccc3c(c2)OCO3)cs1)N1C(=O)c2ccccc2C1=O 2331334865 QJOKYFZJCBZVGG-PEBXRYMYSA-N 487.537 5.042 50 10 JKGE COc1cc(C)c(-c2csc(C(C#N)=C(O)c3cccc(Oc4ccccc4)c3)n2)cc1C(C)C 2331356114 PMFLSWAASDWPJD-UHFFFAOYSA-N 482.605 7.993 50 10 JKGE CCOc1ccc(OCC)c(-c2csc(C(C#N)=C(O)c3ccccc3Br)n2)c1 2331376285 UHWDRSRHNJTXCP-UHFFFAOYSA-N 471.376 6.320 50 10 JKGE CCOc1ccc(OCC)c(-c2csc(C(C#N)=C(O)c3cc(Cl)ccc3OC)n2)c1 2331376454 GCAQLJMZYCHMEI-UHFFFAOYSA-N 456.951 6.219 50 10 JKGE COc1cc(OC)c(-c2csc(C(C#N)=C(O)[C@@H](C)Oc3ccccc3C(C)C)n2)cc1Cl 2331378556 ACZWEXUKGXTFDY-OAHLLOKOSA-N 485.005 6.864 50 10 JKGE COc1c(Cl)cc(-c2csc(C(C#N)=C(O)Cc3ccc(NC(C)=O)cc3)n2)cc1Cl 2331396991 XRMOQTUNCGUERA-UHFFFAOYSA-N 474.369 6.119 50 10 JKGE COc1cc(C)c(-c2csc(C(C#N)=C(O)COc3cc(C)c(Cl)c(C)c3)n2)cc1C 2331403066 YOYYZVMWPJWZCC-UHFFFAOYSA-N 454.979 6.577 50 10 JKGE COc1cc(C=C(C#N)c2nc(-c3ccc4ccccc4c3)cs2)ccc1OCCc1ccccc1 2331416488 FUOUVMFRLSPSKX-UHFFFAOYSA-N 488.612 7.658 50 10 JKGE CCCCc1ccc(N2C[C@@H](C(=O)Nc3sc(C(C)=CC#N)c(C)c3C(=O)OC)CC2=O)cc1 2331560215 GZEGBZZBZCMLHK-IBGZPJMESA-N 479.602 5.104 50 10 JKGE Fc1cc(Br)c(F)c(Br)c1[C@@H](Br)[C@@]12CCOC[C@@H]1C2 2334720272 RQZJQUXOLMIHJV-WBKRDIRUSA-N 460.938 5.352 50 10 JKGE Brc1cc(OCc2ccccc2)ccc1[C@H](Br)[C@H]1COc2ccccc21 2336084542 VCGSAYNOXJLWAF-UGKGYDQZSA-N 474.192 6.640 50 10 JKGE COCc1ccc([C@H](Br)Cc2cc(Br)cc(Br)c2)s1 2336703093 WGLVGNFKLYEJBL-CYBMUJFWSA-N 469.036 6.098 50 10 JKGE C[C@@H]1CCCC[C@@H]1[C@H](Br)c1c(Cl)cc(Br)c(F)c1Br 2337089771 DGPFKMDZWQBVSN-LWINAJNOSA-N 477.437 7.266 50 10 JKGE COCC1(C[C@H](Br)c2c(Cl)cc(Br)c(F)c2Br)CC1 2337095178 XNARPFYQNUKFRA-QMMMGPOBSA-N 479.409 6.257 50 10 JKGE Clc1ccc(CN2[C@@H](CBr)CCC23CCC3)cc1I 2337218589 KGBRSQKIBBIBGF-GFCCVEGCSA-N 454.577 5.227 50 10 JKGE CC1(C)CCN(Cc2ccc(Cl)c(I)c2)C[C@H]1CBr 2337225986 RUNJWCVZIWKKER-GFCCVEGCSA-N 456.593 5.188 50 10 JKGE CCCc1sc(Br)cc1[C@@H](Cl)c1cccc(C)c1I 2338025822 MDKHWTOWILMKFV-AWEZNQCLSA-N 469.613 6.704 50 10 JKGE COc1c(Br)cc(C)c([C@H](Br)C(F)(F)C(C)C)c1Br 2339659625 UXQABGSVFUOKPN-LBPRGKRZSA-N 464.970 6.256 50 10 JKGE CC(F)(F)C1([C@H](Br)c2c(F)cc(Cl)c(Br)c2Cl)CCC1 2360482781 BTVFQAMIVXJQOB-LLVKDONJSA-N 454.939 7.157 50 10 JKGE Cc1ccc(OCc2cc(Br)cc(Br)c2)c(CBr)c1Cl 2362212944 BHOOXCIAZXHSKA-UHFFFAOYSA-N 483.425 6.647 50 10 JKGE CN(Cc1c(Br)c(Br)nn1C)c1ccc(Cl)cc1CBr 2364378000 ZPLLLNNWQKPYIC-UHFFFAOYSA-N 486.433 5.130 50 10 JKGE COCc1ccc([C@@H](Br)c2c(C)c(Br)cc(C)c2Br)s1 2367817134 JTACOZCCDFYTTK-OAHLLOKOSA-N 483.063 6.521 50 10 JKGE CC(C)(C)OC(=O)NC[C@@H]1CC[S@@](=O)(=NC[C@](C)(CBr)C(C)(C)C)C1(C)C 2380168659 OIGOOEPGCSQMKX-ZDNGHDIGSA-N 467.514 5.225 50 10 JKGE CCc1cc(Br)c(OC)c([C@@H](Br)c2cc(Br)oc2C)c1 2381254834 BVVVXNYAAJPHKO-AWEZNQCLSA-N 466.995 6.168 50 10 JKGE Cc1ccc(-c2csc3[nH]c(SCC(=O)N/N=C/c4ccc(C(C)C)cc4)nc(=O)c23)cc1 2613892 CALVPCKMUMEMRR-RPPGKUMJSA-N 476.627 5.326 50 10 JKGE Cc1c(Cl)cccc1N(C(=O)CCl)[C@H](C(=O)NCCc1ccccc1)c1cccs1 3034971 RMJSQZAMOWFOGU-QFIPXVFZSA-N 461.414 5.382 50 10 JKGE COc1ccc(/C=C(/C#N)C(=O)Nc2cc(Cl)cc(Cl)c2)cc1OCc1ccccc1Cl 33582708 FNUVLHAOTMQFHA-IUXPMGMMSA-N 487.770 6.780 50 10 JKGE CCc1ccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4ccc(Br)cc4)ccc32)cc1 38676858 LVSGCTRSXYOCBP-QHCPKHFHSA-N 475.342 5.449 50 10 JKGE CCOc1cccc(C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@@H]3c2ccc(SC)cc2)c1 38682515 QOQBSDOJYXJSAL-XMMPIXPASA-N 458.539 5.245 50 10 JKGE C=CCOc1ccc(C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@@H]3c2cccc(OCCC)c2)cc1 38684440 VNUUWLOTVGUDLR-HHHXNRCGSA-N 482.536 5.478 50 10 JKGE C=CCOc1cccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)COc4ccccc4Cl)ccc32)c1 38684554 ZDJRFCOUSODSHA-SANMLTNESA-N 488.927 5.107 50 10 JKGE CCCCNC(=O)/C(C#N)=C/c1ccc(OC(=O)COc2ccc(C(C)(C)c3ccccc3)cc2)cc1 40988546 CPWAETMNXPRYMG-HIXSDJFHSA-N 496.607 5.820 50 10 JKGE COc1ccc2sc(C(=O)Oc3ccc(/C=C(\C#N)C(=O)NC(C)C)cc3OC)c(Cl)c2c1 41008103 KMCCNWZAYVGITB-OQLLNIDSSA-N 484.961 5.223 50 10 JKGE N#C/C(=C\c1cccc(OCc2ccccc2Cl)c1)C(=O)Nc1cccc(C(F)(F)F)c1 59224734 JUZFQNZUUDSHQU-WOJGMQOQSA-N 456.851 6.483 50 10 JKGE C=CCn1c(CNc2ccc(Cl)cc2)nnc1S[C@H](C)C(=O)NN=C1CCCCCC1 59261284 ZKWRZDHZIBMADI-MRXNPFEDSA-N 461.035 5.037 50 10 JKGE COc1cc(/C=N/NC(=O)c2cc3ccccc3o2)cc(Br)c1OCc1ccccc1F 59304569 PCHQSYRENTZVSZ-UVHMKAGCSA-N 497.320 5.686 50 10 JKGE COc1cccc(/C=C(/C#N)C(=O)Nc2ccc(C(C)=O)cc2)c1OC/C=C/c1ccccc1 96438610 BRQAWQKGJREOJZ-JFMIMCDJSA-N 452.510 5.536 50 10 JKGE CCn1c2ccccc2c2cc(/C=C(/C#N)C(=O)Nc3sccc3C(=O)OC(C)C)ccc21 96438744 BQJSGGGMERBPON-AQTBWJFISA-N 457.555 5.987 50 10 JKGE CCCC[C@H](CC)CN(C(=O)CCl)[C@@H](C(=O)NC1CCCCC1)c1ccc(OC)cc1 97914337 UNNKODKAFZVWCT-YADARESESA-N 451.051 5.469 50 10 JKGE C=CCOc1ccc(-c2nn(-c3ccccc3)cc2/C=C(/C#N)C(=O)NC2CCCCC2)c(C)c1 102835886 UGOYNOPCBWHWCU-PYCFMQQDSA-N 466.585 5.768 50 10 JKGE N#C/C(=C/c1cccc(Br)c1)c1nc(-c2cccs2)c(NC(=O)c2ccco2)s1 102858027 UOLLBTNJRQQPKK-UVTDQMKNSA-N 482.384 6.544 50 10 JKGE COc1c(C)cc(Br)c(C)c1[C@@H](Br)Cc1cccc(Br)c1 125689744 YGSALSNBGKQUKY-HNNXBMFYSA-N 477.034 6.516 50 10 JKGE CCOc1ccc([C@@H](Br)c2cc(Cl)c(Br)s2)cc1OCC 128143910 WZLQCIRBGNGCGL-CQSZACIVSA-N 454.611 6.446 50 10 JKGE Cc1cc(Br)c([C@H](Br)C(C)(C)c2ccccc2)cc1Br 128736412 MHNLQEBQFIODIV-INIZCTEOSA-N 461.035 6.934 50 10 JKGE Cc1cc(Br)c([C@@H](Br)C23CC4CC(CC(C4)C2)C3)cc1Br 128791568 SRLNIJSLVGOHBQ-FQWGAIOXSA-N 477.078 7.172 50 10 JKGE Cc1ccc(F)c([C@H](Br)c2cc(Br)c(C)cc2Br)c1 128815561 IDXVMNHNRKCGSH-OAHLLOKOSA-N 450.971 6.452 50 10 JKGE COc1cc(Cl)c([C@@H](Br)c2csc(I)c2)cc1Cl 166992545 NTDKYXNATVFDCM-LBPRGKRZSA-N 477.976 6.152 50 10 JKGE CC(C)CC(CBr)(CBr)Cc1ccc(Br)cc1Cl 168967436 IHUZUCUQRBICLU-UHFFFAOYSA-N 461.463 6.467 50 10 JKGE C[C@@H]1CCCC[C@@H]1NC(=O)[C@H](c1ccccc1Cl)N(CCC1=CCCCC1)C(=O)CCl 230275254 QHIUIHVOUXBIFR-OUOWLKGYSA-N 465.465 6.034 50 10 JKGE Cc1cc(Br)c([C@H](Cl)c2ccc(I)c(Cl)c2)s1 232344286 DGKHBDSBPGZOID-LLVKDONJSA-N 461.977 6.405 50 10 JKGE CCOc1ccc([C@@H](Br)c2cccc(C)c2Br)cc1Br 233820073 OKDKUEOZNLDQJC-MRXNPFEDSA-N 463.007 6.403 50 10 JKGE CCc1ccc([C@H](Br)c2cc(Br)cc(Br)c2)cc1CC 234184543 WZPTXMCLHNDWCL-KRWDZBQOSA-N 461.035 6.821 50 10 JKGE Cc1cc(Cl)c([C@@H](Cl)c2cc(I)ccc2Br)cc1C 235840710 GLMLBEWWPIWLLE-HNNXBMFYSA-N 469.975 6.652 50 10 JKGE Clc1cnccc1C[C@H](Cl)c1cc(I)ccc1Br 236023615 AUXFURNASYCGHV-LBPRGKRZSA-N 456.936 5.625 50 10 JKGE Clc1ccc([C@H](Cl)c2cc(Br)c(Br)s2)cc1Br 236033313 PBAAJFJWGLODSW-JTQLQIEISA-N 479.846 7.017 50 10 JKGE Fc1cccc(C[C@@H](Cl)c2cc(I)ccc2Br)c1F 236208490 DUIRLGAAXNMFPM-GFCCVEGCSA-N 457.483 5.855 50 10 JKGE O=C(NN=Cc1cccc(OCc2ccccc2)c1)C1CCN(Cc2ccc(F)cc2Cl)CC1 252617715 KYVAFVPYCQBGHI-UHFFFAOYSA-N 479.983 5.420 50 10 JKGE CC(=NNC(=O)c1cccc(S(=O)(=O)Nc2ccccc2Cl)c1)c1ccc2ccccc2c1 254479032 RAMOYECDHZOEQJ-UHFFFAOYSA-N 477.973 5.448 50 10 JKGE CC[C@H](C)c1ccc(OCC(=O)NN=Cc2cc(N=Nc3cccc4ccccc34)ccc2O)cc1 254565572 CFMQSNZUDDQALA-FQEVSTJZSA-N 480.568 7.003 50 10 JKGE O=C(COc1ccc(I)cc1)NN=Cc1c2ccccc2cc2ccccc12 254835698 NRXGAINSGMAUAH-UHFFFAOYSA-N 480.305 5.127 50 10 JKGE CCCOc1ccc(C=NNC(=O)COc2ccc(C(C)(C)c3ccccc3)cc2)cc1OC 256017196 FJEHPWWVGFPTPQ-UHFFFAOYSA-N 460.574 5.339 50 10 JKGE BrCc1ccc2sc(I)cc2c1I 306778392 OSRFMJVWPUCRMD-UHFFFAOYSA-N 478.918 5.005 50 10 JKGE BrCc1cc2cc(I)cc(I)c2s1 307309572 XQBGOKCKODCGRG-UHFFFAOYSA-N 478.918 5.005 50 10 JKGE Clc1ccc(Br)c(CC(CBr)(CBr)C2CCCC2)c1 311753054 VDWIHWHNHOQHRY-UHFFFAOYSA-N 473.474 6.611 50 10 JKGE Cc1cc(Br)ccc1[C@@H](Cl)c1cc(I)cc2c1OCC2 380258737 PGIMBICLAXIUQN-OAHLLOKOSA-N 463.540 5.625 50 10 JKGE CC1(C)C[C@@H](Br)CCN(C(=O)c2cc(Br)ccc2Br)C1 395356269 VEAVSHXTNRAHJG-NSHDSACASA-N 468.027 5.237 50 10 JKGE CCCOc1ccc([C@@H](Br)c2nscc2Br)cc1Br 404767637 HMPKAQISTMQOFF-GFCCVEGCSA-N 470.024 5.941 50 10 JKGE Fc1ccc([C@@H](Cl)c2ccc(I)c(Cl)c2)c(F)c1Br 691544894 XGJRVFRQQMGYQY-LBPRGKRZSA-N 477.901 6.314 50 10 JKGE ClCCc1nc2cccc(Cl)c2n1CC1(N(Cc2ccccc2)Cc2ccccc2)COC1 705781298 CQXLIZZHNRPFKQ-UHFFFAOYSA-N 480.439 5.942 50 10 JKGE Cc1ccc(-n2c(CCC(=O)NN=Cc3ccc(N(C)C)cc3)ccc2-c2ccccc2)cc1 1084578888 CPSOYTVGSHPXTR-UHFFFAOYSA-N 450.586 5.602 50 10 JKGE Cc1cc(Cl)ccc1NC(=O)c1oc2c(c1C)C(=NNC(=O)c1cccc3ccccc13)CCC2 1772748402 PQTKBZKEVDWMHJ-UHFFFAOYSA-N 485.971 6.426 50 10 JKGE CCCCc1ccc(NC(=O)c2oc3c(c2C)C(=NNC(=O)Cc2ccccc2)CCC3)cc1 1772748715 NKTLBJPUSGJDCT-UHFFFAOYSA-N 457.574 5.582 50 10 JKGE Cc1ccc(C(C)(C)C)c(OCC(=O)NN=C2C(=O)N(Cc3ccc(Cl)cc3)c3ccccc32)c1 1772752513 WRIJLEGCSZMWOZ-UHFFFAOYSA-N 490.003 5.392 50 10 JKGE CCCc1nn(Cc2cc(C)ccc2C)c2c1[C@H](c1ccc(C(C)(C)C)cc1)C(C#N)=C(N)O2 1865682880 ZLVZFFGLDZNTPR-RUZDIDTESA-N 454.618 6.016 50 10 JKGE COc1ccc(-c2nn(-c3cccc(Cl)c3)c3c2[C@@H](c2ccc(C)cc2)C(C#N)=C(N)O3)cc1 1865685141 DNHGXZNMBKFQEA-QHCPKHFHSA-N 468.944 5.728 50 10 JKGE N#CC1=C(N)Oc2c(c(C(F)(F)F)nn2-c2ccccc2Cl)[C@@H]1c1ccc(C(F)(F)F)cc1 1865710953 MJIHHHSWJNMFSW-OAHLLOKOSA-N 484.787 5.781 50 10 JKGE CCC[C@@H](NC(=O)C[C@@H](c1ccc(Cl)cc1)C(C)C)C(=O)Nc1ccc(SC#N)cc1 1866761428 KXILALHXONEWDR-FGZHOGPDSA-N 458.027 5.966 50 10 JKGE COc1ccccc1-c1csc(/C(C#N)=C(O)/C=C/c2ccc(OCc3ccccc3)cc2)n1 1872746846 BDLUJFQVOSKDQJ-HBAOKTQDSA-N 466.562 6.904 50 10 JKGE COc1cc(C)c(-c2csc(/C(C#N)=C(\O)c3c(OC)cccc3OC)n2)cc1C(C)C 1872754018 YQDTXWFBMHMWQT-MOHJPFBDSA-N 450.560 6.218 50 10 JKGE Cc1ccc(C(C)(C)C)cc1-c1csc(/C(C#N)=C(\O)[C@@H]2CC(=O)N(Cc3ccccc3)C2)n1 1872756024 QKYYNYZJLZUOLO-HZYJKNPPSA-N 471.626 6.257 50 10 JKGE CC(C)(C)c1ccc(C(=O)NC/C(O)=C(\C#N)c2nc(-c3cccc(Cl)c3)cs2)cc1 1872818103 NAZPBHPQKFFWLD-VZCXRCSSSA-N 451.979 5.984 50 10 JKGE CSCC[C@@H](/C(O)=C(\C#N)c1nc(-c2ccc(F)c(C)c2)cs1)N1C(=O)c2ccccc2C1=O 1873920470 GIQCZOLWXICZSR-UEBMVEOSSA-N 493.585 5.468 50 10 JKGE CC(C)(C)N1C(=O)c2ccc(/C(O)=C(\C#N)c3nc(-c4cccc([N+](=O)[O-])c4)cs3)cc2C1=O 1873940832 JTZWPOBWVBPRQY-ZZEZOPTASA-N 474.498 5.063 50 10 JKGE FC(F)(F)[C@H]1OC2([C@H](Br)c3sc(Br)cc3Br)CC1C2 1878414383 DKQOHONHYVRQQH-QRUMDBKKSA-N 484.957 5.819 50 10 JKGE COc1cc(Br)c([C@@H](Br)c2c(C)nsc2Br)cc1OC 1912981578 FQMHCOIBZDSIDR-GFCCVEGCSA-N 486.023 5.478 50 10 JKGE BrCc1ccc(N(Cc2ccccc2)Cc2cccs2)c(Br)c1 1914880189 PNFOZNARLUFWOY-UHFFFAOYSA-N 451.227 6.612 50 10 JKGE O=C(c1cc(F)cc(Br)c1)N(Cc1ccccc1)[C@@H](CBr)C1CC1 1915313040 LWVCOGNISSWMHR-SFHVURJKSA-N 455.165 5.404 50 10 JKGE Cc1cc([C@H](Br)c2cc(Br)c3c(c2)CCCO3)oc1Br 1917603409 CLQXHCNIQOETSE-CYBMUJFWSA-N 464.979 5.922 50 10 JKGE CC[C@@H](Br)C(=O)c1c(Br)sc(Br)c1Br 1924568180 CLOBKEUKGNLQQG-GSVOUGTGSA-N 469.818 5.392 50 10 JKGE Cc1cc(Br)c([C@H](Br)c2cc(I)ccc2F)s1 2003649412 JYTODILTMBXEGQ-LLVKDONJSA-N 489.973 6.047 50 10 JKGE C[C@H](c1ccncc1Br)[C@H](Br)c1cc(I)sn1 2007644720 QMNYACUZVYTYEF-KBUNVGBDSA-N 487.986 5.145 50 10 JKGE N#CC(C(=O)COC(=O)COc1cc(Cl)c(Cl)cc1Cl)=C1Nc2ccccc2S1 2053614969 RJYVQTNLUNIWHL-UHFFFAOYSA-N 469.733 5.091 50 10 JKGE COc1ccc(N=Nc2ccc(N=P(c3ccccc3)(c3ccccc3)c3ccccc3)cc2)cc1 2059855207 QILBRYDOWVIUAI-UHFFFAOYSA-N 487.543 7.920 50 10 JKGE Fc1cc(Br)c([C@H](Br)c2csnc2Br)c(F)c1Cl 2081843771 GBXRANXRBUQBEQ-SSDOTTSWSA-N 482.369 6.084 50 10 JKGE COc1c(Cl)cc(Br)cc1[C@H](Cl)c1csc(I)c1 2082865924 LLELZHWTDYVELN-LLVKDONJSA-N 477.976 6.105 50 10 JKGE Brc1cc([C@@H](Br)c2ccc(OCc3ccccc3)cc2)cc2c1OCC2 2090471760 ZVPSSZFKIJOPTC-NRFANRHFSA-N 474.192 6.447 50 10 JKGE O=C(c1scc(Br)c1Br)N1CCC[C@@H](CCBr)CC1 2093316366 ZSAZILNADFFBTJ-VIFPVBQESA-N 474.056 5.300 50 10 JKGE CN(c1ccc(CBr)c(Br)c1)C1C[C@@H]2CC[C@H](C1)N2Cc1ccccc1 2094893834 DRTRMVIIQBEQRH-WCRBZPEASA-N 478.272 5.976 50 10 JKGE Cc1cc([C@@H](Br)c2cc(Br)c(Cl)cc2F)ccc1Br 2097836386 ZGYCDEZQZXMSNM-CQSZACIVSA-N 471.389 6.797 50 10 JKGE Brc1cccc(CC[C@@H](Br)CC2CCCCC2)c1Br 2099482936 JXJOGKUQVRILOG-CQSZACIVSA-N 453.056 6.878 50 10 JKGE Clc1ccc([C@H](Br)CCc2ccc(Br)cc2Br)cc1 2113493378 MOEWQGUEWATKFV-CQSZACIVSA-N 467.426 6.934 50 10 JKGE Brc1ccc(Br)c([C@@H](Br)[C@@H]2CCCCC23CCC3)c1 2116988460 AOWGWMZMOKIUNJ-DZGCQCFKSA-N 451.040 7.008 50 10 JKGE CC(C)(C)[C@H]1[C@H](Br)CCN1C(=O)c1cc(Br)c(Br)s1 2128680413 RUMWPISDLAPWIN-GMSGAONNSA-N 474.056 5.297 50 10 JKGE Cc1cc(Br)c(C)c([C@H](Br)C[C@H](C)C(F)(F)F)c1Br 2136367005 MYBOCKFLDGKIAH-OIBJUYFYSA-N 466.961 6.853 50 10 JKGE COc1c(Cl)cc(Br)cc1[C@H](Cl)c1cccc(OCc2ccccc2)c1 2138238913 AWQGZDZPBIXLDK-HXUWFJFHSA-N 452.175 7.018 50 10 JKGE COc1ccc([C@@H](Cl)c2cc(Br)sc2Br)c(Cl)c1Cl 2138635045 MIPUUDDFNDUADM-SECBINFHSA-N 465.421 6.917 50 10 JKGE COC1(C(F)(F)[C@H](Br)c2ccc(Br)cc2Br)CCC1 2138860161 DJHLGFXVJHSBEV-LLVKDONJSA-N 462.954 5.852 50 10 JKGE Clc1ccc(Br)cc1[C@@H](Br)c1cc(Br)c2c(c1)CCO2 2146626799 HDCWVIWWHACKIS-AWEZNQCLSA-N 481.409 6.284 50 10 JKGE Cc1cc(CCl)cc(S(=O)(=O)N(Cc2ccccc2)C2CCCCC2)c1Br 2152221274 DSJHOGWLCOITIW-UHFFFAOYSA-N 470.860 6.020 50 10 JKGE C[C@@]1(Cn2c(CCl)nc3cc(Br)c(Cl)cc32)CCN(Cc2ccccc2)C1 2159872574 WPPIUCUUFZHSLP-OAQYLSRUSA-N 467.238 6.103 50 10 JKGE CC(C)(C)OC(=O)NCC[S@](=O)(=NC[C@H](CBr)C(C)(C)C)c1ccccc1 2163662062 SBMSMNYYWDKQKH-RKOGDMNLSA-N 461.466 5.095 50 10 JKGE CCc1nc([C@@H](Br)c2cc(Cl)c(OC)cc2Cl)c(Br)s1 2169487204 COHJTELKVNWDIL-NSHDSACASA-N 460.018 6.268 50 10 JKGE CCCn1cc(S(=O)(=O)N(Cc2ccccc2)Cc2cccs2)cc1CBr 2179859918 KVIYFNNQDDYJPO-UHFFFAOYSA-N 467.454 5.246 50 10 JKGE C[C@H]1C[C@@H](n2c(CCl)nc3cc(Br)c(F)cc32)CN(Cc2ccccc2)C1 2184260835 PQHRATVTUNXXQK-GOEBONIOSA-N 450.783 5.760 50 10 JKGE COc1cc(CBr)cc(Br)c1OCc1cc(Cl)sc1Cl 2195406752 CFXKRMHGKKXSOO-UHFFFAOYSA-N 461.002 6.300 50 10 JKGE Cc1nsc(Br)c1[C@H](Br)c1sc(Br)c(C)c1C 2213623175 YWCPYXPRJRAGSU-QMMMGPOBSA-N 460.054 6.139 50 10 JKGE Cc1cc(Br)c([C@@H](Br)c2sc(C)c(Br)c2C)s1 2213748871 SIOOLIIIHIFMLK-JTQLQIEISA-N 459.066 6.744 50 10 JKGE CCN(C[C@@](C)(CI)OCC1(C)CC(C)(C)C1)C(=O)OC(C)(C)C 2215317147 QEELJDRYMDCETJ-LJQANCHMSA-N 453.405 5.280 50 10 JKGE Fc1cc(Br)c(Br)cc1[C@@H](Cl)c1cc(Cl)cc(Br)c1 2225635176 UFQCPEYIHBKPCI-ZDUSSCGKSA-N 491.807 7.095 50 10 JKGE Cc1cc(Br)c(CN(C)c2ccc(Br)cc2CBr)s1 2229401231 HVDSISOGTAVKJN-UHFFFAOYSA-N 468.052 6.113 50 10 JKGE Clc1cc(Br)c([C@@H](Br)C23CCC(CC2)CC3)c(Cl)c1Cl 2232522523 YZESYAVYXDFUNR-OOCCNLOMSA-N 461.452 7.816 50 10 JKGE COC[C@@]1([C@@H](Br)c2c(Br)cc(Cl)c(Cl)c2Cl)CCCO1 2232529576 MGVQYXJQYZMJMX-QWHCGFSZSA-N 467.412 6.041 50 10 JKGE Fc1ccc(C[C@@H](Br)c2cc(Br)c(Br)cc2F)cc1F 2233975175 IUWQBVDRWRKHDQ-SECBINFHSA-N 472.924 6.308 50 10 JKGE CC1(C)CN(C(=O)c2cc(Br)ccc2Br)C[C@@H]1CCBr 2238470170 KNAGDEPHURXAEF-JTQLQIEISA-N 468.027 5.095 50 10 JKGE C[C@H](Cl)c1nc2cnccc2n1-c1ccc(Br)cc1I 2240012328 RPTBKGLJPMCABW-QMMMGPOBSA-N 462.516 5.087 50 10 JKGE Cc1cc(Br)c([C@H](Cl)Cc2cc(Cl)cc(Cl)c2)cc1Br 2240912161 XPLHMGJRMOIABJ-OAHLLOKOSA-N 457.420 7.349 50 10 JKGE C[C@H](c1ccncc1Br)[C@@H](Br)c1cccc(Cl)c1Br 2267978351 UJYLBRQBTFWRMZ-AMIZOPFISA-N 468.414 6.500 50 10 JKGE COc1ccc([C@H](Cl)c2ccc(Br)cc2Cl)cc1I 2269540681 HDSXAPZMTJKASF-AWEZNQCLSA-N 471.947 6.044 50 10 JKGE Fc1ccc(Cl)cc1[C@H](Br)Cc1cc(Br)cc(Br)c1 2277964121 BXDSROYMYAYCMX-CYBMUJFWSA-N 471.389 6.683 50 10 JKGE Cc1cc(Br)c([C@@H](Cl)Cc2ccccc2I)c(C)c1F 2279158274 SNZHVCPKVATCTR-ZDUSSCGKSA-N 467.547 6.332 50 10 JKGE COc1c(Br)cc(C)cc1[C@@H](Cl)c1ccc(Cl)c(I)c1 2283582700 LBWQPYLQBDTWCV-AWEZNQCLSA-N 485.974 6.352 50 10 JKGE COc1ccc([C@H](Br)Cc2cccc(Cl)c2F)cc1I 2285001487 HAWXNBVJAYUJDR-LLVKDONJSA-N 469.519 5.771 50 10 JKGE COc1ccc(Br)c2c1nc(CCCl)n2C[C@H](C)COCc1ccccc1 2286081053 OEQAOCZNXFLRLN-HNNXBMFYSA-N 451.792 5.442 50 10 JKGE C[C@@H](Br)CC(C)(C)CNC(=O)Cc1cc(Br)cc(Br)c1 2295307712 NSWXWNQLLFHPOI-SNVBAGLBSA-N 470.043 5.070 50 10 JKGE Cc1cc2sc([C@@H](Br)Cc3cc(Br)cc(Br)c3)cc2s1 2295345278 KEXPVZWSXZJRBU-LBPRGKRZSA-N 495.099 7.475 50 10 JKGE CCCCSc1ccc(-c2nn(-c3ccccc3)cc2C=C(C#N)c2nc3ccccc3s2)cc1 2296731303 MAQJTAMKRJCTSJ-UHFFFAOYSA-N 492.673 8.105 50 10 JKGE CCc1cccc(C)c1NC(SCc1ccccc1C)=C(C#N)S(=O)(=O)c1ccccc1 2297350028 NRZZWPZSIMTZLA-UHFFFAOYSA-N 462.640 6.378 50 10 JKGE CCOc1cc(C=C(C#N)c2nc3ccccc3[nH]2)ccc1OCC(=O)NC12CC3CC(CC(C3)C1)C2 2297555820 QVPUWIXWOYBUBM-UHFFFAOYSA-N 496.611 5.490 50 10 JKGE Brc1cc(OCc2ccccc2)ccc1[C@@H](Br)[C@@H]1C[C@H]2CC[C@H]1O2 2299501392 NTGDTIRBHURDRG-RARDXLECSA-N 452.186 6.032 50 10 JKGE Cc1ccc([C@@H](Br)c2ccc(OCc3ccccc3)cc2Br)cc1C 2314441587 ZZYACRBUCMBJNS-JOCHJYFZSA-N 460.209 7.129 50 10 JKGE Brc1ccc(OCc2ccccc2)c([C@H](Br)C[C@@H]2CCC23CCC3)c1 2314460007 MOZMHSMCNJRVDY-FXAWDEMLSA-N 464.241 7.435 50 10 JKGE N#CC(=Cc1ccc(-c2cc(C(F)(F)F)ccc2Cl)o1)c1nc(-c2ccc(Cl)cc2)cs1 2314482576 OOMJZSNENDOLAY-UHFFFAOYSA-N 491.321 8.460 50 10 JKGE CC1(C)CCCC[C@@H]1[C@@H](Br)c1ccc(OCc2ccccc2)cc1Br 2314499610 DWENDNFOJKFQCS-CTNGQTDRSA-N 466.257 7.681 50 10 JKGE Cc1c(Cl)sc(Cl)c1[C@@H](Cl)c1ccc(Br)cc1I 2314505895 NOYHABXVXZYBFE-JTQLQIEISA-N 496.422 7.059 50 10 JKGE COc1cc(C=C(C#N)C(=O)Nc2cc(C(F)(F)F)cc(C(F)(F)F)c2)cc(OC)c1OC 2314571124 BKRYBOLNWPJWKS-UHFFFAOYSA-N 474.357 5.296 50 10 JKGE COc1cc(C=C(C#N)c2ccccc2)ccc1OC(=O)c1c(Cl)ccc(Cl)c1Cl 2314717185 RGHVXHWIHZTXBK-UHFFFAOYSA-N 458.728 6.939 50 10 JKGE CCCCCCCCOc1ccc(C=C(C#N)C(=O)Nc2sc3c(c2C(N)=O)CCCC3)cc1 2314729171 YCUGVXQYHGCRPP-UHFFFAOYSA-N 479.646 6.011 50 10 JKGE COc1cc(C=C(C#N)c2ccc(Cl)cc2)ccc1OC(=O)c1ccc(Br)o1 2314810489 SYERYRYFBFHNNG-UHFFFAOYSA-N 458.695 5.987 50 10 JKGE CC1(CC[C@@H](Br)c2c(Cl)cc(Br)c(F)c2Br)CC1 2315457685 FSQYFDRGQMOGBI-SSDOTTSWSA-N 463.410 7.020 50 10 JKGE Clc1cc(I)c([C@H](Br)C[C@@H]2CCCCC23CC3)s1 2316601685 WTVXLXMGZKABPR-VHSXEESVSA-N 459.618 6.803 50 10 JKGE C[C@H](Br)C1CCN(Cc2ccc(I)c(Br)c2)CC1 2325223812 QQIBUZYZRYIWJX-JTQLQIEISA-N 487.017 5.049 50 10 JKGE N#CSc1ccc(NC(=O)Oc2ccc(CNC(=O)C=Cc3ccc([N+](=O)[O-])s3)cc2)cc1 2329414947 UITJRHBOYKSAIR-UHFFFAOYSA-N 480.527 5.170 50 10 JKGE C[C@@H](c1ccccc1)N1C[C@H](C(O)=C(C#N)c2nc(-c3ccc(Cl)c(Cl)c3)cs2)CC1=O 2331311780 XOTPCOYOBYHVKU-WMLDXEAASA-N 484.408 6.519 50 10 JKGE CCc1cccc(C)c1N1C[C@H](C(O)=C(C#N)c2nc(-c3ccc(F)c(C)c3)cs2)CC1=O 2331320674 SRTKICJRLPMUKO-LJQANCHMSA-N 461.562 5.974 50 10 JKGE CC(C)c1ccc(-c2csc(C(C#N)=C(O)[C@H]3CC(=O)N([C@H](C)c4ccccc4)C3)n2)cc1 2331340821 STXQPLPMALNOBT-GCJKJVERSA-N 457.599 6.336 50 10 JKGE COc1ccc(Cl)cc1N1C[C@@H](C(O)=C(C#N)c2nc(-c3ccc(F)cc3)cs2)CC1=O 2331343713 MSHRYPIGVKKEDN-AWEZNQCLSA-N 469.925 5.457 50 10 JKGE CCCCC1CCC(C(O)=C(C#N)c2nc(-c3cc(C(C)C)c(OC)cc3C)cs2)CC1 2331356016 DUOYENYOUKSPND-UHFFFAOYSA-N 452.664 8.040 50 10 JKGE Cc1ccc(OCC(O)=C(C#N)c2nc(-c3c(C)c(C)cc(C)c3C)cs2)c(C(C)(C)C)c1 2331364672 VKIXQDQONVOOQY-UHFFFAOYSA-N 460.643 7.521 50 10 JKGE CCCCC1CCC(C(O)=C(C#N)c2nc(-c3cc(OCC)ccc3OCC)cs2)CC1 2331376793 XDHMBDANLBNVGH-UHFFFAOYSA-N 454.636 7.397 50 10 JKGE Cc1cc(Br)c([C@@H](Br)[C@@H]2C[C@H]2C2CCCC2)cc1Br 2332689298 YNRJAKVQFCFIJF-OZVIIMIRSA-N 451.040 6.782 50 10 JKGE Cc1nc([C@@H](Cl)c2c(F)cc(Cl)c(Br)c2Cl)c(Br)s1 2335355535 IECSJMXBQRDBAE-VIFPVBQESA-N 468.400 6.751 50 10 JKGE Clc1cc(I)c([C@H](Br)[C@@H]2CCOc3ccccc32)s1 2338559018 RKKWOFMRBILKFK-NOZJJQNGSA-N 469.569 6.008 50 10 JKGE Cl[C@@H]1C[C@@H](OCc2ccc(I)c(Br)c2)C12CCCC2 2350039662 NTYAQNJQFZYLBZ-ZIAGYGMSSA-N 455.561 5.510 50 10 JKGE Cc1cc(Cl)c([C@H](Cl)c2ccc(OCc3ccccc3)cc2Br)c(Cl)c1 2353075652 DGWRCOZFPHJSIH-OAQYLSRUSA-N 470.621 7.972 50 10 JKGE C[C@@]1([C@@H](Br)c2c(F)cc(Cl)c(Br)c2Cl)CCCC1(F)F 2360419479 AAWIAAMLNZVIIL-RYUDHWBXSA-N 454.939 7.157 50 10 JKGE Fc1cc(Cl)c(Br)c(Cl)c1[C@H](Br)[C@H]1CCC[C@@H]1C(F)F 2360436756 PMWIRWSSFQMVHI-JFWOZONXSA-N 454.939 7.012 50 10 JKGE Brc1ccc(OCc2ccccc2)c([C@H](Br)[C@@H]2C[C@H]3CCCCCC[C@@H]32)c1 2361191634 SCVTUIWFXNRBJZ-LOCCHRAXSA-N 492.295 8.071 50 10 JKGE O=C(c1scc(Br)c1Cl)N1CC[C@H](Br)C[C@H]1C(F)(F)F 2361464938 SLRBMNQOYHOJLA-FSPLSTOPSA-N 455.521 5.094 50 10 JKGE CCCCO[C@H]1[C@@H](Oc2cc(Cl)c(C)cc2I)C[C@H]1Br 2361703702 OGBICQCQHJITMZ-WKPIXPDZSA-N 473.576 5.353 50 10 JKGE CC(C)(C)OC(=O)NC[C@]1(C)CN(CC2(CBr)CCCCCC2)CC1(F)F 2379692592 KDIBCDQWVNYYML-GOSISDBHSA-N 453.412 5.204 50 10 JKGE Cc1ccc(NC(=O)CCC(=O)NNC(=O)N2c3ccccc3Sc3ccccc32)cc1C 13988883 TWIVWJUZXPNEAN-UHFFFAOYSA-N 460.559 5.066 50 10 JKGE CC(C)CCOc1ccc(C(=O)NNC(=O)c2ccc(-c3ccccc3)cc2)cc1Br 14645596 BAARWZMWRKAIRI-UHFFFAOYSA-N 481.390 5.616 50 10 JKGE N#C/C(=C/c1ccc(-c2ccc(SC(F)F)cc2)o1)C(=O)Nc1nc2ccccc2s1 33669312 OWCDZDIACGILPO-KAMYIIQDSA-N 453.495 6.417 50 10 JKGE C/C(=N/NC(=O)c1ccc(CSc2cccc3cccnc23)cc1)c1ccc(Cl)c(Cl)c1 33683566 ZZDGOJCBCYEMCD-MWLSYYOVSA-N 480.420 6.988 50 10 JKGE N#C/C(C(=O)Nc1ccccc1Cl)=C1\S[C@H](Cc2ccccc2)C(=O)N1c1ccccc1 35212693 NPBBHNLRFKOSBH-UDXHRHDRSA-N 459.958 5.405 50 10 JKGE CC(C)c1ccc(NC(=O)/C(C#N)=C/c2cn(-c3ccccc3)nc2-c2cccc3ccccc23)cc1 35519303 ANGJQTWLVZMJEV-NCELDCMTSA-N 482.587 7.362 50 10 JKGE N#CC1=C(N)Oc2cc(OC(=O)c3ccccc3Cl)ccc2[C@@H]1c1ccccc1Br 38678501 ZYHBKNSOEDJYAE-NRFANRHFSA-N 481.733 5.540 50 10 JKGE CCCCOc1ccc(/C=C(\C#N)C(=O)Nc2cc(OC)c(NC(=O)c3ccccc3)cc2OC)cc1 40882665 XTLYGVCMRYMVNU-CJLVFECKSA-N 499.567 5.681 50 10 JKGE COc1cc(/C=N/NC(=O)COc2cccc3ccccc23)ccc1OCc1ccc(C)cc1 40911203 UTVHMGDJFRDWQR-STBIYBPSSA-N 454.526 5.265 50 10 JKGE COC(=O)c1ccc(N/C=C(/C#N)c2nc(-c3cc4c(ccc5ccccc54)oc3=O)cs2)cc1 102934301 OJXRUNKEJZGBRC-JXAWBTAJSA-N 479.517 5.833 50 10 JKGE Brc1ccc([C@@H](Br)c2cc3c(cc2Br)OCCCO3)o1 109865080 WPAXCLCLFXBVLU-AWEZNQCLSA-N 466.951 5.450 50 10 JKGE COc1ccc([C@H](Br)c2cc(Br)sc2Br)cc1F 109870154 OWAYWOWMZBTRFJ-NSHDSACASA-N 458.972 5.905 50 10 JKGE Cc1sc(Br)cc1[C@H](Cl)c1cc(Br)ccc1Br 161109818 IYBFANVDBKPZHX-LBPRGKRZSA-N 459.428 6.672 50 10 JKGE O=C(N[C@@H]1CCCCC[C@H]1Br)c1cc(Br)ccc1Br 161235193 YQYVIZWLJJJRHE-CHWSQXEVSA-N 454.000 5.038 50 10 JKGE C[Si](C)(C)N[C@@H](Cc1ccc(O[Si](C)(C)C)c(O[Si](C)(C)C)c1)C(=O)O[Si](C)(C)C 195789031 SSTPUELEMUKSOG-SFHVURJKSA-N 485.922 5.828 50 10 JKGE O=C1CC(=O)C(P(c2ccccc2)c2ccccc2)=C1P(c1ccccc1)c1ccccc1 196267474 XQUJVRFRXSZOIU-UHFFFAOYSA-N 464.441 5.006 50 10 JKGE Cc1cc(Cl)ccc1N/C=C(/C#N)C(=O)N1CCN(C(c2ccccc2)c2ccccc2)CC1 216498216 MNTDQCUFUNBPTD-GFMRDNFCSA-N 471.004 5.402 50 10 JKGE CCCOc1ccc([C@H](Br)c2cc(Cl)ccc2Cl)cc1Br 229008868 HEAHOJLJDYHHGD-INIZCTEOSA-N 453.001 7.029 50 10 JKGE CC(C)c1ccc(C=NNC(=O)/C(=C/c2ccc(N(C)C)cc2)NC(=O)c2ccccc2Cl)cc1 252615169 JQDPBGBVNTUWHD-AOGHVLSJSA-N 489.019 5.451 50 10 JKGE 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 254111248 CMKAMRUVQONAPO-WZQZEGSBSA-N 474.726 6.612 50 10 JKGE Cc1ccc(-c2nnc(SCC(=O)NN=C/C(Cl)=C/c3ccccc3)n2C2CCCCC2)cc1 254593390 LUTUMTQZYDUOQP-HQYUYLDOSA-N 494.064 6.233 50 10 JKGE CCCOc1ccc(-c2cc(C(=O)NN=C(CC)c3cc(O)ccc3O)c3ccccc3n2)cc1 254837717 OCEBUEKQHNYUDG-UHFFFAOYSA-N 469.541 5.646 50 10 JKGE Clc1cc(Br)ccc1[C@@H](Br)c1cc2c(cc1Br)OCC2 308410990 FHLLBVRLHBLXPP-OAHLLOKOSA-N 481.409 6.284 50 10 JKGE CCOc1ccc([C@@H](Br)c2cccc(OCc3ccccc3)c2)c(Br)c1 312045921 YZZWFXRLEODBOQ-QFIPXVFZSA-N 476.208 6.911 50 10 JKGE C[C@H](Cl)c1nc2cc(I)c(F)cc2n1CC[C@@H](C)N(C)Cc1ccccc1 379614088 YBOWCFKRYPHMCY-CABCVRRESA-N 499.799 5.990 50 10 JKGE O=C(OCc1ccccc1)N1C[C@H](CBr)[C@H](c2cccc(Br)c2F)C1 382680228 BNXQZRGLYBWNFQ-GOEBONIOSA-N 471.164 5.335 50 10 JKGE CO[C@@H]1CCC[C@@H](O[C@](C)(CI)c2ccccc2Br)C1 686010124 JQBFLFQWFAJGNR-XJKCOSOUSA-N 453.158 5.074 50 10 JKGE Brc1cc2c(c([C@@H](Br)c3ccc(Br)s3)c1)OCCC2 688372438 VSRRSZTULPYNTI-CYBMUJFWSA-N 467.020 6.082 50 10 JKGE CN(C(=O)c1cc(Br)cc(Br)c1)[C@@H](CBr)C(C)(C)C 689262197 VAHOXOJATILUMI-LBPRGKRZSA-N 456.016 5.093 50 10 JKGE BrCc1ccc(N2C[C@H]3CC[C@H]2[C@@H]2CN(Cc4ccccc4)C[C@H]32)cc1Br 705886033 KIDVABDAQFDOAA-LPOZWGFCSA-N 490.283 5.691 50 10 JKGE C[C@@H]1CCCN(C(=O)c2scc(Br)c2Br)[C@@H]1CCBr 707837765 GHZUXWLJRRWJPC-PSASIEDQSA-N 474.056 5.299 50 10 JKGE Fc1cc(F)c(OCc2cc(Cl)ccc2I)c(CBr)c1 708438047 UPWLEFOAJBXOKC-UHFFFAOYSA-N 473.482 5.697 50 10 JKGE Cc1ccc([C@H](Br)c2ccccc2OCc2ccccc2)c(C)c1Br 719566056 QPSFRXPNQUQNGK-QFIPXVFZSA-N 460.209 7.129 50 10 JKGE BrCC(CBr)(CCc1ccns1)c1ccccc1Br 719887784 TWWSHRKHNYMTHB-UHFFFAOYSA-N 468.052 5.566 50 10 JKGE Cc1cc(F)cc(C)c1[C@@H](Cl)c1ccc(I)c(Br)c1 721604552 QGJYFZYISQZDAQ-HNNXBMFYSA-N 453.520 6.138 50 10 JKGE FC(F)(F)c1cc([C@H]2CN(Cc3ccccc3)C[C@H]2CBr)cc(C(F)(F)F)c1 725385317 TUJXBAFTPMHFOL-CRAIPNDOSA-N 466.263 6.335 50 10 JKGE COc1cc(C=NNC(=O)c2ccc(Cl)cc2)cc(Br)c1OCc1ccccc1F 1083999879 VAAWWSDSNHORLN-UHFFFAOYSA-N 491.744 5.593 50 10 JKGE CCOc1cc(C=NNC(=O)C(c2ccccc2)c2ccccc2)ccc1OCc1ccc(Cl)cc1 1084023761 IFRAESHMUOYQAO-UHFFFAOYSA-N 499.010 6.600 50 10 JKGE N#C/C(C(=O)Nc1ccc(Cl)cc1)=C1\C(=O)N(Cc2ccccc2)c2ccc(Br)cc21 1084169794 KICYYMMOUDGNPT-LSDHQDQOSA-N 492.760 5.565 50 10 JKGE Cc1c(Cl)cccc1NC(=O)/C(C#N)=C\c1cc(Cl)ccc1OCc1ccc(Cl)cc1 1084268856 UDMKPYOUPSVXCE-WQRHYEAKSA-N 471.771 7.080 50 10 JKGE N#C/C(=C/c1ccc(OCc2ccc(Br)cc2)cc1)C(=O)Nc1cccc([N+](=O)[O-])c1 1084291485 IUKRJXNYVSXKSS-PDGQHHTCSA-N 478.302 5.482 50 10 JKGE CCOc1cc(/C=C(/C#N)C(=O)Nc2cc(Cl)ccc2Cl)ccc1OC(=O)c1ccccc1 1084341899 LAHFQTKPSKOXRO-PDGQHHTCSA-N 481.335 6.157 50 10 JKGE Cc1cc(C=NNC(=O)C(=O)Nc2cccc3ccccc23)c(C)n1-c1ccc(Cl)c(Cl)c1 1084440989 ITVAAEWOUGFAIM-UHFFFAOYSA-N 479.367 5.643 50 10 JKGE Cc1ccc(NC(=O)C(=O)NN=Cc2ccc(OCc3ccc(Cl)cc3Cl)cc2)cc1Cl 1084468711 KAEZIDUPBBQXOM-UHFFFAOYSA-N 490.774 5.623 50 10 JKGE O=C(CCc1ccccc1)NN=Cc1cc(Br)ccc1OCc1cccc(F)c1 1084530718 GDULURGWWQDPOS-UHFFFAOYSA-N 455.327 5.250 50 10 JKGE Cc1c(C(=O)Nc2cccc(C(F)(F)F)c2)oc2c1C(=NNC(=O)c1ccc(F)cc1)CCC2 1772744166 AJHINBFURWWSJY-UHFFFAOYSA-N 473.426 5.469 50 10 JKGE COc1ccc(-c2nn(-c3ccccc3)c3c2[C@H](c2c(F)cccc2Cl)C(C#N)=C(N)O3)cc1 1865686662 YUMKJCYBBRBVIL-NRFANRHFSA-N 472.907 5.559 50 10 JKGE CCOc1cccc([C@@H]2C(C#N)=C(N)Oc3c2c(-c2ccccc2)nn3-c2ccc(Cl)cc2)c1 1865689660 CBUADLAXYRHZTK-HSZRJFAPSA-N 468.944 5.810 50 10 JKGE CCCOc1cccc([C@@H]2C(C#N)=C(N)Oc3c2c(CC)nn3-c2ccc(Cl)c(Cl)c2)c1 1865694500 WNZDPQUALBPCEF-OAQYLSRUSA-N 469.372 5.748 50 10 JKGE CCCn1nc(CC)c2c1OC(N)=C(C#N)[C@@H]2c1ccc(OCCCc2ccccc2)c(OC)c1 1865696099 CDOWXVRJPSHFTI-VWLOTQADSA-N 472.589 5.094 50 10 JKGE CCCc1nn(-c2ccc(Cl)cc2)c2c1[C@H](c1ccc(Cl)c([N+](=O)[O-])c1)C(C#N)=C(N)O2 1865705917 JIFVQOUTUZGSBU-LJQANCHMSA-N 470.316 5.258 50 10 JKGE CCCc1nn(Cc2ccc(Cl)c(Cl)c2)c2c1[C@@H](c1ccccc1[N+](=O)[O-])C(C#N)=C(N)O2 1865710468 YTGDTFZTTYIEGX-FQEVSTJZSA-N 484.343 5.317 50 10 JKGE Cc1nc(-c2ccc(Cl)c(Cl)c2)ccc1C(=O)N/N=C\c1ccccc1Br 1865762591 QIDXYBKPOCUETN-MYKKPKGFSA-N 463.162 5.890 50 10 JKGE CC(C)C[C@@H](NC(=O)/C(C#N)=C/c1cccc(Br)c1)C(=O)Nc1ccc2ccccc2c1 1866130579 BORYRKJLSKBLPF-QYAMMSNYSA-N 490.401 5.679 50 10 JKGE COc1ccc(OC/C(O)=C(\C#N)c2nc(-c3ccc4c(c3)CCCC4)cs2)c(C(C)(C)C)c1 1872745689 YRVMYWKFEVNEQM-LVWGJNHUSA-N 474.626 6.867 50 10 JKGE COc1ccc(C(C)(C)C)cc1-c1csc(/C(C#N)=C(\O)[C@H](C)Oc2ccccc2C(C)C)n1 1872752020 ZSCNPWNCHAMQNI-ZZNYDNHMSA-N 476.642 7.500 50 10 JKGE COc1ccc(Cl)cc1N1C[C@@H](/C(O)=C(\C#N)c2nc(-c3ccc(Cl)s3)cs2)CC1=O 1872758336 VYJFZVXEPJANNJ-PYXNCVKXSA-N 492.409 6.033 50 10 JKGE CCOc1cc(/C=C(\C#N)c2nc(-c3ccc(CC)cc3)cs2)ccc1OCc1ccc(C)cc1 1872781596 LEWNQDJIYNTWDG-WGOQTCKBSA-N 480.633 7.723 50 10 JKGE COc1ccc(Cl)cc1-c1csc(/C(C#N)=C/c2cc(Br)c(O)c(OC)c2)n1 1872794915 DGQYRZBCUUBFOF-LFYBBSHMSA-N 477.767 6.013 50 10 JKGE FC(F)(F)[C@H]1OC2([C@H](Br)c3cc(Br)c(Br)s3)CC1C2 1878419583 UQZXBGRLOABXED-IZJSASCNSA-N 484.957 5.819 50 10 JKGE CC(C)C[C@@H]1CN(C(=O)OC(C)(C)C)CC[C@H]1[C@H](CBr)NC(=O)OC(C)(C)C 1885096865 MDWKNTWUZMDEKO-ZACQAIPSSA-N 463.457 5.194 50 10 JKGE Clc1c(Br)sc(Br)c1[C@@H](Cl)C12CC3CC(CC(C3)C1)C2 1923050696 YOBRHHJDCJZYRB-HLJMMJMFSA-N 459.074 7.423 50 10 JKGE Clc1c(Br)sc(Br)c1[C@@H](Br)CC1CCCCC1 1923071337 IHNDNQMFXUMPMZ-QMMMGPOBSA-N 465.476 7.333 50 10 JKGE CCc1occc1[C@@H](Br)c1c(Br)sc(Br)c1Cl 1923072597 QEXQYKDTPBXYBJ-MRVPVSSYSA-N 463.416 6.566 50 10 JKGE CCCC[C@@H](CC)[C@@H](Cl)c1c(Br)sc(Br)c1Br 1924583826 PNPNTPGMYJOAKR-GMSGAONNSA-N 467.492 7.532 50 10 JKGE CC(C)(CBr)N(Cc1ccccc1)C(=O)c1cc(I)ccc1F 1980671277 NIXIOGOLYOAGSE-UHFFFAOYSA-N 490.154 5.246 50 10 JKGE N#C[C@@H]1CN(c2c(CBr)ccc(Br)c2Cl)CCN1Cc1ccccc1 2036848211 KKUVKLJYHRMMML-MRXNPFEDSA-N 483.635 5.212 50 10 JKGE COc1ccc(C)c([C@H](Br)c2cc(Br)sc2Br)c1 2047192811 BUGOKOPWLICUJH-LBPRGKRZSA-N 455.009 6.074 50 10 JKGE FC(F)(F)CC1([C@H](Br)c2c(Br)sc(Br)c2Cl)CC1 2056618436 GNGOWAXKPMZWNC-ZCFIWIBFSA-N 491.392 7.095 50 10 JKGE Cc1c(Br)sc([C@H](Br)C2C[C@@H]3CCC[C@H]3C2)c1Br 2063519735 HWIPLZSCIVXXGE-HOTUBEGUSA-N 457.069 6.844 50 10 JKGE CC(C)OC(C)(C)COc1c(Br)cc(CBr)cc1Br 2087188508 JWNLWNGIIXLGQO-UHFFFAOYSA-N 459.016 5.689 50 10 JKGE Cc1cc(Br)c(F)c([C@@H](Br)c2ccc(F)c(Br)c2)c1 2089378450 RRKJFPKFNMIBQC-ZDUSSCGKSA-N 454.934 6.283 50 10 JKGE C[C@@H]1Cc2cc([C@H](Br)c3cscc3Br)cc(Br)c2O1 2090469753 IBAAFTTUIPIVAD-UHLUBPPHSA-N 467.020 6.081 50 10 JKGE ClC[C@@H](Cc1c(Br)cccc1Br)c1cccc(Br)c1 2094095114 JAHBLYUFWLIXNC-LLVKDONJSA-N 467.426 6.539 50 10 JKGE C[C@H]1[C@@H](Br)C[C@H]2CC[C@H]1N2Cc1c(Br)cccc1Br 2094103123 XMSPXBIOTMDDHV-WVGQAWGZSA-N 452.028 5.348 50 10 JKGE Cc1cc(Br)c(CBr)c(N2C[C@H](C)N(Cc3ccccc3)[C@H](C)[C@H]2C)c1 2116826727 WHMDIIUFPKPJKF-RCCFBDPRSA-N 480.288 6.140 50 10 JKGE Clc1ccc(Br)c(CO[C@@H]2CCCCCC[C@@H]2I)c1 2135982909 JFCPTBBUAXUFPA-LSDHHAIUSA-N 457.577 6.146 50 10 JKGE Cc1cc(Br)c(C)c([C@H](Br)[C@@H]2CC3(CC3)CO2)c1Br 2136376146 CBHOVHOXUNJGOO-SMDDNHRTSA-N 453.012 5.834 50 10 JKGE Cc1cc(Cl)c([C@H](Br)Cc2ccccc2I)cc1Cl 2136699434 XQJBEOFDQOELKU-GFCCVEGCSA-N 469.975 6.585 50 10 JKGE Cc1ccc([C@H](Cl)c2ccc(Br)c(C)c2Br)cc1Br 2138860328 DTOIIQWHMHNXAJ-HNNXBMFYSA-N 467.426 6.919 50 10 JKGE COc1c(C)cc(Br)cc1[C@@H](Cl)c1scc(Br)c1Br 2141660197 MFTUEQCWAUVNTA-LLVKDONJSA-N 489.454 6.681 50 10 JKGE Fc1cc(C[C@H](Br)c2ccccc2Br)cc(F)c1Br 2142263673 LAEGFNYBAGFAQH-NSHDSACASA-N 454.934 6.169 50 10 JKGE Clc1cc(CC[C@@H](Cl)c2cccc(Br)c2)ccc1I 2142940699 PMCQFTWEDCGNPR-CYBMUJFWSA-N 469.975 6.620 50 10 JKGE O=[N+]([O-])c1cc(Br)c(OC[C@@H](CBr)C2CCC2)c(Br)c1 2145990720 ZONAZGNYCVMBOI-SECBINFHSA-N 471.971 5.310 50 10 JKGE C[C@@H](Cl)c1nc2cc(F)c(Br)cc2n1C1CC(COCc2ccccc2)C1 2149051571 PWHVKPLYLPLYEB-IUDNXUCKSA-N 451.767 6.406 50 10 JKGE C[C@H](Cl)c1nc2cc(I)ccc2n1[C@@H]1CC(C)(C)[C@@H]1OCc1ccccc1 2156372231 FJGGBLPJGOVWTA-VHKYSDTDSA-N 494.804 6.497 50 10 JKGE BrCc1c(Br)cccc1N1CCC[C@@]2(CCCN(Cc3ccccc3)C2)C1 2163307274 PPGNEBDPJYXZSQ-HSZRJFAPSA-N 492.299 6.227 50 10 JKGE O=C(NC[C@@H]1CCCC[C@@H](Br)C1)c1cccc(Br)c1Br 2163752641 AWMKPNIPDZYXTB-GHMZBOCLSA-N 468.027 5.285 50 10 JKGE CN(C(=O)c1cc(Br)ccc1I)[C@@H]1CCCCC[C@H]1Cl 2172548567 VIKFNEXJIJYNEJ-TZMCWYRMSA-N 470.576 5.066 50 10 JKGE FC(F)(F)c1ccc([C@H](Cl)c2cc(Br)c(Br)s2)c(Cl)c1 2179251418 DKASZFWPNOOQRJ-JTQLQIEISA-N 468.947 7.274 50 10 JKGE C[C@H](N(Cc1ccccc1)S(=O)(=O)c1cc(F)c(Cl)c(CBr)c1)C(C)(C)C 2179861710 LMFVURMQYOYCIM-AWEZNQCLSA-N 476.839 6.000 50 10 JKGE COc1cc(C)c([C@@H](Br)c2ccc(F)cc2Br)cc1Br 2198736327 CNJIYJVBQOFIQD-HNNXBMFYSA-N 466.970 6.152 50 10 JKGE Cc1cc(Br)c(C)c([C@@H](Cl)c2ccc(Br)c(F)c2)c1Br 2201077319 HUJVQXQNSCMVLA-HNNXBMFYSA-N 485.416 7.058 50 10 JKGE COc1cc(Cl)c([C@@H](Cl)c2cc(I)ccc2F)cc1Br 2202364418 KQSBQSKAFJQQLX-CQSZACIVSA-N 489.937 6.183 50 10 JKGE Cc1ccc(F)c([C@H](Br)c2ccc(Br)c(C)c2Br)c1F 2203686272 ONNSRTROLJQWKQ-CQSZACIVSA-N 468.961 6.591 50 10 JKGE COc1ccc([C@H](Cl)c2ccc(Br)cc2I)cc1OC 2207272036 LRNCZMGAWAFSAM-HNNXBMFYSA-N 467.528 5.399 50 10 JKGE C[C@H](Cl)c1nc2cc(Br)c(Br)cc2n1-c1cnn(Cc2ccccc2)c1 2225686056 JGXUZVDOTOTJHY-LBPRGKRZSA-N 494.618 6.095 50 10 JKGE Cc1c(Br)csc1[C@H](Br)c1scc(C(F)(F)F)c1Br 2226119823 BSSMSEMALXWLIS-QMMMGPOBSA-N 499.009 7.146 50 10 JKGE Cc1cc(Br)c([C@H](Br)C(C)(C)C(F)(F)F)c(C)c1Br 2227359336 HHLANQTUPSZFBD-NSHDSACASA-N 466.961 6.853 50 10 JKGE Clc1cc(Br)ccc1C[C@@H](Cl)c1cc(Br)ccc1Br 2229154806 SHYIPTLDSUYEON-CQSZACIVSA-N 487.844 7.150 50 10 JKGE FC1(F)CCC([C@H](Br)c2c(Br)cc(Cl)c(Cl)c2Cl)CC1 2232510200 GCYJNDDENWGQOG-JTQLQIEISA-N 471.394 7.671 50 10 JKGE Cc1sc([C@@H](Br)c2cc(Br)c3c(c2)CCCO3)cc1Br 2234473985 IWGOXUYLCSPWRE-AWEZNQCLSA-N 481.047 6.391 50 10 JKGE Cc1cc(Br)c([C@@H](Cl)c2cc(Br)ccc2F)c(C)c1Br 2235601933 BYGUOJIWTGXDER-HNNXBMFYSA-N 485.416 7.058 50 10 JKGE O=C(Nc1ccc(Cl)cc1CBr)c1cc(Br)ccc1Br 2239470610 FSRBBMRELJMILP-UHFFFAOYSA-N 482.397 6.012 50 10 JKGE Clc1cc(Br)ccc1C[C@@H](Br)c1scc(Br)c1Cl 2253595525 BUJJQIPVTVOOKN-MRVPVSSYSA-N 493.873 7.259 50 10 JKGE CC(C)(C)OC(=O)N1CCC[C@](CI)(OCC[C@@H]2CCCC23CC3)C1 2255319774 ICKHGYBCMWKBFN-OXJNMPFZSA-N 463.400 5.178 50 10 JKGE CN(Cc1cccc(I)c1)c1ccc(CCl)cc1Br 2265532522 KSXLAHKFCPLDOV-UHFFFAOYSA-N 450.545 5.429 50 10 JKGE COc1c([C@@H](Br)c2ccc(Br)c(C)c2Br)csc1C 2271694005 JAZMEMBAYADWNF-ZDUSSCGKSA-N 469.036 6.383 50 10 JKGE CC1CCC(CI)(OCc2cc(Br)ccc2Cl)CC1 2277806052 DMTWVYPMGQJNAR-UHFFFAOYSA-N 457.577 6.003 50 10 JKGE Fc1ccc([C@H](Br)Cc2cc(Br)cc(Br)c2)c(F)c1 2277895609 FYLYLJHHIPBKMV-CYBMUJFWSA-N 454.934 6.169 50 10 JKGE Brc1cc(Br)cc(C[C@H](Br)[C@@]23CCC[C@@H]2OCC3)c1 2277962975 OGAFEMNVCFSWOK-KKUMJFAQSA-N 453.012 5.477 50 10 JKGE Fc1cc(Br)c(F)c(Br)c1[C@H](Br)[C@@H]1CCC[C@H]1C(F)F 2288488248 GGFASBHZGMJZJI-OXOINMOOSA-N 482.935 6.607 50 10 JKGE C#CCOc1c(Cl)cc(C=C(C#N)C(=O)Nc2ccc(C)c(Cl)c2)cc1Br 2294187437 ONVHEOTZRSKRAN-UHFFFAOYSA-N 464.146 5.622 50 10 JKGE N#CC(C(=O)Nc1ccccc1)=C1S[C@H](Cc2ccc(Cl)c(Cl)c2)C(=O)N1c1ccccc1 2296507082 SPHJCYJRVLPWDH-JOCHJYFZSA-N 494.403 6.058 50 10 JKGE Cc1ccccc1N1C(=O)[C@H](Cc2cccc(Cl)c2)SC1=C(C#N)C(=O)Nc1ccccc1 2296507197 XYOMBIKESBHAPI-QHCPKHFHSA-N 473.985 5.713 50 10 JKGE CCOc1ccc(C=C(C#N)c2nc(-c3ccc(-c4ccccc4)cc3)cs2)c(OCC)c1 2296662539 OQFJGHROKKIIKD-UHFFFAOYSA-N 452.579 7.339 50 10 JKGE CCCCOc1ccc(C=C(C#N)C(=O)Nc2ncc(Cc3ccc(C)cc3)s2)cc1OC 2296825633 JKDUHTSREYYIGN-UHFFFAOYSA-N 461.587 5.776 50 10 JKGE Cc1ccc(-c2csc(C(C#N)=Cc3cc4cc(Br)ccc4nc3Cl)n2)cc1 2297315439 XJWQVVWPORDCGS-UHFFFAOYSA-N 466.791 7.147 50 10 JKGE C=CC(=CC=CCCl)NC(=O)NCc1cccc(CNC(=O)Nc2cccc(Cl)c2)c1 2297535066 BOMVVWUJZDWNPT-UHFFFAOYSA-N 459.377 5.326 50 10 JKGE Brc1cc(OCc2ccccc2)ccc1[C@@H](Br)[C@@H]1[C@H]2CCCC[C@H]21 2299489586 QOPFTGKMUCIZTE-SQBLYHGDSA-N 450.214 6.900 50 10 JKGE CC1(C)COC[C@H]1[C@H](Cl)c1c(Br)sc(Br)c1Br 2299622381 SMQUXLBJYHZCPH-XNCJUZBTSA-N 467.448 5.988 50 10 JKGE CC[C@]1(C)[C@@H](Br)C[C@@H]1Oc1cc(Br)cc(I)c1 2301129086 BXNAVEJGRKWYMR-RWMBFGLXSA-N 473.974 5.385 50 10 JKGE Cc1ccccc1NC(=O)C(C#N)=Cc1cc(Br)ccc1OCc1ccccc1Cl 2313540905 BKJXRJMWOLEPMC-UHFFFAOYSA-N 481.777 6.536 50 10 JKGE N#CC(=C(O)c1ccc(-c2ccc([N+](=O)[O-])cc2)o1)c1nc(-c2ccc3ccccc3c2)cs1 2314457929 SVOVTZYOQAFFBD-UHFFFAOYSA-N 465.490 7.081 50 10 JKGE CCCOc1ccc(-c2nn(-c3ccccc3)cc2C=C(C#N)C(=O)NCc2ccco2)cc1Cl 2314476813 WJSVZIYGUQIZKO-UHFFFAOYSA-N 486.959 5.798 50 10 JKGE N#CC(=Cc1ccc(-c2cccc(C(F)(F)F)c2)o1)C(=O)Nc1ccccc1C(F)(F)F 2314570980 AEHNEXLUDOCMMU-UHFFFAOYSA-N 450.338 6.530 50 10 JKGE Cc1cccc(C[C@H]2SC(=C(C#N)C(=O)Nc3cccc(C)c3)N(c3ccc(C)c(C)c3)C2=O)c1 2314591706 BNKAOZHHKUTXLD-AREMUKBSSA-N 481.621 5.985 50 10 JKGE CCc1ccc(N2C(=O)[C@H](Cc3ccccc3F)SC2=C(C#N)C(=O)N[C@@H](C)c2ccccc2)cc1 2314593153 IHNIYADEBSZMPF-SIBVEZHUSA-N 499.611 5.692 50 10 JKGE CCCCCCOc1ccc(C=C(C#N)C(=O)Nc2cccc(C(=O)OCCC)c2)cc1OC 2314729087 VDBBJWHRWOKRFI-UHFFFAOYSA-N 464.562 5.767 50 10 JKGE COCc1ccccc1[C@H](Br)c1sc(Cl)cc1I 2316597898 XNUKWURNLGYFNB-LBPRGKRZSA-N 457.558 5.637 50 10 JKGE Clc1cc(I)c([C@@H](Br)[C@@H]2C[C@H]2C2CCOCC2)s1 2316770910 JFTNKLYKADFOOM-SBMIAAHKSA-N 461.590 5.505 50 10 JKGE CC[C@]1(C)[C@@H](Br)C[C@H]1OCc1cc(I)ccc1Br 2319213257 KSJLFVLXBSNDLB-BFHYXJOUSA-N 488.001 5.522 50 10 JKGE Clc1ccc(I)c(CN2CC[C@@H]3CC[C@H](Br)[C@H]2C3)c1 2330966439 IPQPKTXRGSMCRD-VZJVUDMVSA-N 454.577 5.083 50 10 JKGE COc1c(Br)cc(Br)cc1C=C(C#N)c1nc2cc(C)ccc2n1C 2331018530 HXNBSZHATYTKIX-UHFFFAOYSA-N 461.157 5.480 50 10 JKGE COc1cc2nc(C(C#N)=Cc3c(OCc4ccccc4)ccc4ccccc34)nc(O)c2cc1OC 2331042581 PJRDTGAAZMKSCR-UHFFFAOYSA-N 489.531 6.149 50 10 JKGE CCn1c(C(C#N)=Cc2cc(Br)c(O)c(Br)c2O)nc2ccccc21 2331071862 RZUYFRZIYUPRAV-UHFFFAOYSA-N 463.129 5.057 50 10 JKGE N#CC(=C(O)C=Cc1ccc(OCc2ccccc2)cc1)c1nc(-c2cccc([N+](=O)[O-])c2)cs1 2331235051 KAPXFHSRXLDRMG-UHFFFAOYSA-N 481.533 6.803 50 10 JKGE CC(C)c1csc(C(C#N)=C(O)CN2C(=O)c3c(Cl)c(Cl)c(Cl)c(Cl)c3C2=O)n1 2331328880 YEYDNYWLGSBWBR-UHFFFAOYSA-N 491.183 5.969 50 10 JKGE COc1c(Cl)cc(Cl)cc1-c1csc(C(C#N)=C(O)[C@@H]2CC(=O)N(C(C)(C)C)C2)n1 2331362906 YROGNUCWFLLYGI-LLVKDONJSA-N 466.390 5.565 50 10 JKGE COc1c(Cl)cc(Cl)cc1-c1csc(C(C#N)=Cc2ccc(Cl)cc2Cl)n1 2331467713 XNMMXYDDBHBTIJ-UHFFFAOYSA-N 456.181 7.496 50 10 JKGE Cc1cc(Br)c([C@@H](Br)[C@@H]2CCC[C@H]2C(F)F)cc1Br 2334501463 BJGHTPUYZRTAKR-KKFJDGPESA-N 460.982 6.637 50 10 JKGE Fc1ccc([C@@H](Br)c2ccc(OCc3ccccc3)cc2Br)c(F)c1F 2336049330 BQIBIWMZCRFRMF-SFHVURJKSA-N 486.125 6.930 50 10 JKGE CC(C)(C)OC1CC([C@@H](Br)c2ccc(OCc3ccccc3)cc2Br)C1 2336056896 MTNZDJOUAKQDMH-QYGXFBIXSA-N 482.256 7.058 50 10 JKGE FC(F)(F)C1([C@@H](Br)c2sc(Cl)cc2I)CCOCC1 2338778483 LZMSLYPSOQXIDM-VIFPVBQESA-N 489.522 5.801 50 10 JKGE CC(C)[C@H](Br)C(C)(C)NC(=O)c1cccc(Br)c1Br 2340526276 UKPCBIBFYLWUEU-LBPRGKRZSA-N 456.016 5.140 50 10 JKGE CN(c1ccc(F)c(Cl)c1CBr)[C@H]1C[C@@H]2C[C@H](OCc3ccccc3)C[C@H]12 2357088608 AQWTYHCLTZLOFH-IAGYGMIVSA-N 452.795 6.194 50 10 JKGE Brc1ccc(OCc2ccccc2)c([C@H](Br)[C@H]2C[C@H]2C2CCCCCC2)c1 2361203945 GTGQHBXIWVFBRU-AWRGLXIESA-N 492.295 8.071 50 10 JKGE CCc1ccc([C@H](Br)c2c(Cl)cc(Br)c(F)c2Br)cc1 2362256986 CJUHUBMDJZGJFF-ZDUSSCGKSA-N 485.416 7.051 50 10 JKGE FC(F)(F)c1cc(Cl)ccc1[C@H](Cl)c1sc(Cl)cc1I 2364124532 KVGBGOYRMNNVIU-JTQLQIEISA-N 471.496 7.007 50 10 JKGE CCc1cnccc1COc1c(Br)cc(Br)cc1CBr 2365582318 PQWXGZSICWLXHE-UHFFFAOYSA-N 463.995 5.643 50 10 JKGE Clc1ccc(COC[C@@H](CBr)c2ccccc2)c(I)c1 2365632717 DLKTXDBWWMVFGY-CQSZACIVSA-N 465.556 5.640 50 10 JKGE CCOc1ccc([C@@H](Cl)c2cc(I)ccc2Br)c(F)c1 2367459121 LMAYTELLVBZORS-OAHLLOKOSA-N 469.519 5.920 50 10 JKGE CC(C)(C)[C@@H]1CC[C@H]1COc1c(Br)cc(CBr)cc1Br 2369278194 LEZQZASPPWVBCF-NWDGAFQWSA-N 469.055 6.558 50 10 JKGE CC(C)(C)OCCCC(CBr)(CBr)c1ccccc1Br 2371564377 SNDYMWZEFXRCFF-UHFFFAOYSA-N 471.071 6.072 50 10 JKGE N#C/C(=C/c1c[nH]c2ccccc12)C(=O)Nc1ncc(Cc2cc(Cl)ccc2Cl)s1 1454831 VUUMFONUAPSEOY-AUWJEWJLSA-N 453.354 6.068 50 10 JKGE O=C(COc1cccc2ccccc12)N/N=C/c1ccc(Sc2nc3ccccc3s2)o1 8403988 YRVQXRNDZVZDIO-AFUMVMLFSA-N 459.552 5.723 50 10 JKGE C[C@@H](Oc1ccc(Cl)cc1)C(=O)NNC(=O)c1ccc(NC(=O)c2ccc(C(C)(C)C)cc2)cc1 14007465 FLGRRXJCXUFXRU-QGZVFWFLSA-N 493.991 5.118 50 10 JKGE COc1ccc(/C(C#N)=C\c2cccc(OC(=O)c3cccc(Br)c3)c2)cc1OC 31902898 GGWHRXMOSULVKU-ODLFYWEKSA-N 464.315 5.750 50 10 JKGE N#C/C(=C/c1ccc(OCc2ccc(F)cc2)cc1)C(=O)Nc1ccc([N+](=O)[O-])cc1Br 32134977 QAHGJOPRDBFXQX-BOPFTXTBSA-N 496.292 5.621 50 10 JKGE N#C/C(C(=O)c1ccccc1)=C1\S[C@@H](Cc2cccc(Cl)c2Cl)C(=O)N1c1ccccc1 33652737 WQJMRKBCMDSXEB-ARCUFYBBSA-N 479.388 6.303 50 10 JKGE N#C/C(=C/c1ccc(-c2cc(Cl)ccc2Cl)o1)C(=O)Nc1nc(-c2cccs2)cs1 33741086 YLJBUCAHMRADGD-WQLSENKSSA-N 472.378 6.984 50 10 JKGE C/C(=N/NC(=O)c1ccc(COc2cccc3cccnc23)cc1)c1ccc(OC(F)F)cc1 33746100 APZNTTVMILLLQC-LQNQUEJISA-N 461.468 5.569 50 10 JKGE CCCCCN1C(=O)C(C#N)=C(C)/C(=C\c2ccc(OCc3ccccc3Cl)c(OC)c2)C1=O 38603991 UYPJVTHDEOHDBQ-KGENOOAVSA-N 478.976 5.710 50 10 JKGE CC(C)c1ccc(O[C@H](C)C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@@H]3c2ccc(C(C)C)cc2)cc1 38649644 NCKGVZCXTSYYCB-ACSYHNTCSA-N 496.607 6.524 50 10 JKGE CCCCOc1ccccc1C(=O)Oc1ccc2c(c1)OC(N)=C(C#N)[C@H]2c1ccc(C(C)(C)C)cc1 38649879 LQXLYSRGGRECJY-NDEPHWFRSA-N 496.607 6.600 50 10 JKGE CCCOc1ccc(C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@@H]3c2ccc(Cl)cc2)cc1 38651357 LODAFXRDSIEDKB-XMMPIXPASA-N 460.917 5.566 50 10 JKGE Cc1ccc(C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@H]3c2c(Cl)cccc2Cl)cc1 38679459 LPPVNBVEIUACQM-NRFANRHFSA-N 451.309 5.739 50 10 JKGE C[C@H](NC(=O)/C(C#N)=C/c1ccc(OCc2ccc(Cl)cc2Cl)cc1)c1ccccc1 40007540 MYVYWVXJXYVNJY-RSZPVBOMSA-N 451.353 6.357 50 10 JKGE COc1ccccc1C(=O)N/N=C1\CCCc2oc(C(=O)Nc3cc(Cl)ccc3Cl)c(C)c21 40813191 GZIRGBKSFPUDCT-OGLMXYFKSA-N 486.355 5.626 50 10 JKGE Cc1cc(C)cc(NC(=O)c2oc3c(c2C)/C(=N/NC(=O)c2ccc(Cl)c([N+](=O)[O-])c2)CCC3)c1 40813422 RJWROUFBNFYWAZ-TURZUDJPSA-N 494.935 5.489 50 10 JKGE COc1cccc(C(=O)N/N=C2\CCCc3oc(C(=O)Nc4ccc(Br)cc4)c(C)c32)c1 40822397 AVHNVMKANPFOTF-ZXVVBBHZSA-N 496.361 5.082 50 10 JKGE O=C(N/N=C/c1ccccc1C(F)(F)F)c1ccc(OCc2ccc(Cl)cc2Cl)cc1 48573285 JACRHFJABXLDIW-KVSWJAHQSA-N 467.274 6.355 50 10 JKGE Cc1ccc(-c2ccccc2)n1-c1ccc(C(=O)N/N=C/c2ccc(N3CCCCCC3)o2)cc1 59680153 UPJHYPQNXLQXNK-MWAVMZGNSA-N 466.585 6.190 50 10 JKGE Cc1c([N+](=O)[O-])cc(/C(O)=C(\C#N)c2nc3cc(C(F)(F)F)ccc3s2)cc1[N+](=O)[O-] 101018158 YRYCQLZAPNUZMY-WJDWOHSUSA-N 450.354 5.390 50 10 JKGE Fc1ccc(C[C@H](CBr)c2cccc(Br)c2)cc1Br 118661345 KFMBUVXLEQFAJI-GFCCVEGCSA-N 450.971 6.072 50 10 JKGE COc1cc([C@H](Br)c2cc(C)ccc2Br)c(OC)cc1Br 134298744 XFYTWWCYMDGCRK-MRXNPFEDSA-N 479.006 6.022 50 10 JKGE Cc1ccc(Br)c([C@@H](Cl)c2cc(Br)c(Br)s2)c1 161288531 CAWPRHVXKZPSEH-LLVKDONJSA-N 459.428 6.672 50 10 JKGE Cc1cc(Br)c([C@H](Br)[C@@H]2C[C@@H]2c2ccccc2)cc1Br 164446636 LGOOZKKIIXQIIQ-PBFPGSCMSA-N 459.019 6.760 50 10 JKGE CCOc1ccc(/C=N\NC(=O)Cc2cc(Cl)ccc2SCC)cc1Br 169922377 BBJXRDUAGTWWJJ-UUYOSTAYSA-N 455.805 5.306 50 10 JKGE C[C@H](O[Si](C)(C)C)[C@@]1(O)CC[C@H]2[C@@H]3CC[C@@H]4C[C@H](O[Si](C)(C)C)CC[C@]4(C)[C@H]3CC[C@@]21C 196703807 PYOLIIABYCOZPT-ZLRIBFDESA-N 480.882 7.220 50 10 JKGE CC[C@@H](NC(=O)/C(C#N)=C\N1CCN(c2cccc(Cl)c2)CC1)c1ccc2c(c1)CCCC2 217192399 CNZVGRACWVPPDY-ZVUBZYFMSA-N 463.025 5.016 50 10 JKGE COCCOc1ccc([C@@H](Cl)c2cccc(I)c2)cc1Br 229011932 KRVDNALGSYIZPW-INIZCTEOSA-N 481.555 5.407 50 10 JKGE Clc1ccc(Cl)c([C@H](Br)c2ccc(I)c(Cl)c2)c1 232343425 ZOMWAOIJIDEOSG-CYBMUJFWSA-N 476.366 6.736 50 10 JKGE C[C@@H]1Cc2cc([C@@H](Br)c3cc(Cl)ccc3I)ccc2O1 235406977 AMQIXSFHPIITCZ-JDNHERCYSA-N 463.540 5.752 50 10 JKGE Clc1cc([C@H](Cl)c2cc(Br)ccc2I)c(Cl)s1 236032159 RBECEXVKSPOCJO-SNVBAGLBSA-N 482.395 6.750 50 10 JKGE Clc1ccc([C@H](Br)c2cc(Br)cc3c2OCC3)c(Br)c1 236053755 PAVVYOLUULDMAD-AWEZNQCLSA-N 481.409 6.284 50 10 JKGE CC[C@H](N/C=C(/C#N)C(=O)Nc1ccccc1Sc1ccccc1)c1ccc2c(c1)CCCC2 240718855 AOKULPMGPLFFLD-SANMLTNESA-N 467.638 6.803 50 10 JKGE CC(C)=CCC/C(C)=C/C=NNC(=O)c1ccc(CN2C(=O)c3cccc4cccc2c34)cc1 252512535 RZPXNBAACKKRGM-IMGOEYCKSA-N 451.570 6.409 50 10 JKGE Cc1ccc(C)n1-c1ccc(C(=O)NN=Cc2ccc(OC(=O)c3ccccc3F)cc2)cc1 254289753 PQGMHWMHMYBGBN-UHFFFAOYSA-N 455.489 5.216 50 10 JKGE 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 254396114 KANYZLRHIUEPFK-KCOZJFCXSA-N 472.710 7.268 50 10 JKGE COc1cccc(C=NNC(=O)CSc2nnc(-c3ccc(C)cc3)n2C2CCCCC2)c1 254555573 YYKFEZZSEYVYHX-UHFFFAOYSA-N 463.607 5.010 50 10 JKGE CCN(CC)c1ccc(C=NNC(=O)c2[nH]c3ccc([N+](=O)[O-])cc3c2-c2ccccc2)cc1 254769789 CWSFFSMIRKHEAP-UHFFFAOYSA-N 455.518 5.353 50 10 JKGE Cc1cc(Br)ccc1[C@H]1CN(C(=O)OCc2ccccc2)C[C@@H]1CBr 382694299 JXEGCMHXJNANOS-LPHOPBHVSA-N 467.201 5.505 50 10 JKGE CC(C)(C)OC(=O)N1C[C@H](CI)[C@H](c2cc(Cl)cc(Cl)c2O)C1 382727108 RDLPWMADKAPYID-JOYOIKCWSA-N 472.150 5.085 50 10 JKGE CC(C)(C)[Si](C)(C)OCCc1cccc([C@@H]2CN(S(=O)(=O)c3ccccc3)CCO2)c1 616643987 NBPATPOWBZVBBI-QHCPKHFHSA-N 461.700 5.013 50 10 JKGE COc1ccccc1C[C@@H](Cl)c1ccc(I)c(Br)c1 721573388 RGIZHYWVEYKYER-CYBMUJFWSA-N 451.529 5.585 50 10 JKGE C[C@H](c1ccccn1)[C@@H](Br)c1ccc(I)c(Br)c1 721580975 WJPMGZPFYTVXBS-YMTOWFKASA-N 480.969 5.688 50 10 JKGE O=C(NN=Cc1ccc(COc2ccc(Br)cc2)cc1)c1cccc(Br)c1 1084047220 CVLZRADHSLJHMS-UHFFFAOYSA-N 488.179 5.555 50 10 JKGE CCOc1cc(/C=C(/C#N)C(=O)Nc2cccc3ccccc23)ccc1OCc1cccc(Cl)c1 1084121985 MTCXDZVRDTZWIS-HAHDFKILSA-N 482.967 7.017 50 10 JKGE CCCCCCCCCCOc1ccc(C(=O)NN=Cc2ccc(OCCCC)cc2)cc1 1084232471 JEGJQIZSMJZQEF-UHFFFAOYSA-N 452.639 7.149 50 10 JKGE O=C(NN=Cc1cccc(OCc2ccccc2Cl)c1)C(=O)Nc1cccc(C(F)(F)F)c1 1084319617 XRRCODNYBWVWKD-UHFFFAOYSA-N 475.854 5.027 50 10 JKGE CCCCC(=NNC(=O)COc1ccc(Br)cc1Br)c1ccccc1 1084337290 HLWBVRHSKXSGLZ-UHFFFAOYSA-N 468.189 5.301 50 10 JKGE Cc1c(C(=O)Nc2nc3ccccc3s2)oc2c1C(=NNC(=O)c1ccc(Cl)cc1)CCC2 1772744516 YQPAXGYNEWNCRK-UHFFFAOYSA-N 478.961 5.574 50 10 JKGE CC(C)(C)c1ccc([C@H]2C(C#N)=C(N)Oc3c2c(-c2ccccc2)nn3Cc2ccccc2F)cc1 1865682387 NLJCOUPQMJUKEF-VWLOTQADSA-N 478.571 6.253 50 10 JKGE CCCCOc1ccc([C@@H]2C(C#N)=C(N)Oc3c2c(C)nn3-c2ccc(C)cc2)cc1OCC 1865687530 TWXKLHLKHWXXAA-RUZDIDTESA-N 458.562 5.285 50 10 JKGE COc1ccc2ccccc2c1[C@H]1C(C#N)=C(N)Oc2c1c(C)nn2-c1cccc2ccccc12 1865687943 DORDQVFIWXFAPY-MHZLTWQESA-N 458.521 5.714 50 10 JKGE CCCc1nn(Cc2cccc(F)c2)c2c1[C@H](c1ccc(OCC)c(OCC)c1)C(C#N)=C(N)O2 1865690009 YYBOSZIURKIEIR-XMMPIXPASA-N 476.552 5.039 50 10 JKGE CCN(CC)c1ccc([C@@H]2C(C#N)=C(N)Oc3c2c(C(F)(F)F)nn3Cc2ccccc2)cc1 1865701639 AERDANCFUMLJMH-HXUWFJFHSA-N 467.495 5.015 50 10 JKGE COc1ccc(-c2nn(Cc3ccc(C)cc3)c3c2[C@H](c2ccc(F)cc2)C(C#N)=C(N)O3)cc1 1865708434 WQGOLGOZHFZKSW-XMMPIXPASA-N 466.516 5.273 50 10 JKGE CCc1nc(Nc2ccc(SC#N)cc2)cc(N2CCc3ccccc3[C@@H]2c2cccc(Cl)c2)n1 1868277592 BLNCIOZZKUMXBH-NDEPHWFRSA-N 498.055 7.161 50 10 JKGE COc1cc(/C=C(\C#N)c2ccc(C(=O)OC(C)C)o2)ccc1OCc1ccc(Br)cc1 1872728789 UJNKFJVUGCQIJI-XDHOZWIPSA-N 496.357 6.259 50 10 JKGE COc1ccc(-c2csc(/C(C#N)=C(\O)CCCOc3ccc(C(C)(C)C)cc3)n2)cc1C 1872746591 OSMGICFRGJFQCY-GYHWCHFESA-N 462.615 7.077 50 10 JKGE CCCOc1ccc(-c2csc(/C(C#N)=C(O)/C=C/c3ccc(OC(C)=O)c(OC)c3)n2)cc1 1872749162 DRFVTZDFTCFZDL-WZAXJXDISA-N 476.554 6.039 50 10 JKGE CCc1cccc(C)c1N1C[C@H](/C(O)=C(\C#N)c2nc(-c3ccc4c(c3)OCCO4)cs2)CC1=O 1872750417 DPGCYTGVFVRFRF-LMRHOSECSA-N 487.581 5.298 50 10 JKGE COc1cc(OC)c(-c2csc(/C(C#N)=C(\O)CCc3ccc(Cl)cc3)n2)cc1Cl 1872756236 GDCNEDGIJIQZSV-MNDPQUGUSA-N 461.370 6.560 50 10 JKGE COc1cc(C)c(-c2csc(/C(C#N)=C/c3ccc(Cl)c([N+](=O)[O-])c3)n2)cc1C(C)C 1872793182 MGSUGVCIGOKUKQ-LZYBPNLTSA-N 453.951 6.876 50 10 JKGE C[C@H](CCOc1c(Br)cc(CBr)cc1Br)C(F)(F)F 1876116553 QCZWPMNRNNZJSW-SSDOTTSWSA-N 468.933 6.074 50 10 JKGE COC[C@@H]1C[C@H]1[C@@H](Br)c1c(Br)sc(Br)c1Br 1896491485 RBFVFQJEMGIEOO-HBPOCXIASA-N 497.872 5.754 50 10 JKGE BrCc1cc(Br)cc(Br)c1OC[C@@H]1C[C@@H]1Br 1897192836 IYHPEIITUBOCJT-CBAPKCEASA-N 477.816 5.269 50 10 JKGE O=S(=O)(c1cc(Br)ccc1Br)N(CCCCl)Cc1ccccc1 1914607722 CKCOSXAEHQNJJE-UHFFFAOYSA-N 481.637 5.031 50 10 JKGE Cc1cc(Br)c(F)c(C(=O)N(Cc2ccccc2)[C@H](CBr)C2CC2)c1 1915265006 VANXRQIDEYJWMG-GOSISDBHSA-N 469.192 5.713 50 10 JKGE Cc1ccc(Br)cc1C(=O)N(Cc1ccccc1)C1(CBr)CCC1 1915756982 RIMVGVKTTDTHPW-UHFFFAOYSA-N 451.202 5.718 50 10 JKGE Cc1c(Br)sc([C@H](Br)Cc2c(F)cccc2Cl)c1Br 1922884215 REIDKWVTKCCTRA-MRVPVSSYSA-N 491.445 7.053 50 10 JKGE Cl[C@@H](c1cccc(OCc2ccccc2)c1)c1sc(Br)cc1Br 1922885830 QUPBORIXNFVUCJ-KRWDZBQOSA-N 472.629 7.180 50 10 JKGE Cc1c(Br)sc([C@H](Br)[C@@H]2CCCc3ccccc32)c1Br 1922886840 YHWACVQFBUKDFD-TZMCWYRMSA-N 479.075 7.138 50 10 JKGE Clc1sc(Br)c(Cl)c1[C@H](Cl)c1cccc(OCc2ccccc2)c1 1925599076 LWHUMQGSEHKDEY-OAHLLOKOSA-N 462.623 7.725 50 10 JKGE C[C@@H]1CC[C@@H](C[C@@H](Cl)c2c(Br)sc(Br)c2Br)O1 1998141148 PLZKVJYGLMBGHD-DSYKOEDSSA-N 467.448 6.273 50 10 JKGE CCc1cc(Br)c([C@@H](Br)c2c(F)cccc2Br)s1 2029232744 LLOHNOUPEUEJDC-LBPRGKRZSA-N 457.000 6.459 50 10 JKGE C[C@H]1OC2(C)CC1([C@H](Br)c1c(Br)sc(Br)c1Cl)C2 2038997099 QJLGYZIPPCPKKI-ZHDDEWITSA-N 479.459 6.320 50 10 JKGE CCCN[C@@H](c1c(Br)sc(Br)c1Cl)[C@H]1C[C@H](Br)C1 2076189446 ULCCSAFLDQZMNC-BRDIYROLSA-N 480.491 6.141 50 10 JKGE Cc1cc(Br)c(CBr)c(N2CC[C@@]2(C)CCOCc2ccccc2)c1 2077086194 SDODCVXUJPMQCH-NRFANRHFSA-N 467.245 6.228 50 10 JKGE Fc1cc(Cl)c([C@@H](Br)c2cccc(I)c2)cc1Cl 2083779225 ZIGDTVDIAUHTMH-ZDUSSCGKSA-N 459.911 6.221 50 10 JKGE Cc1cc(C)c([C@H](Cl)c2csc(Br)c2Br)c(C)c1Br 2093941788 CFVMYXIEGXGZBZ-CYBMUJFWSA-N 487.482 7.289 50 10 JKGE CCOc1ccc(C)cc1[C@H](Br)c1csc(Br)c1Br 2093942024 IQJSPWKJBSDEHE-LBPRGKRZSA-N 469.036 6.465 50 10 JKGE BrCc1cc(Br)c(OCCOCCC2CC2)c(Br)c1 2127783520 ZCQUTERMVOXACT-UHFFFAOYSA-N 457.000 5.302 50 10 JKGE Cc1cc(Br)c(C)c([C@H](Br)[C@@H]2CCC[C@@H](F)C2)c1Br 2136373444 BXIAMWFWXSYNLR-UEKVPHQBSA-N 457.019 6.793 50 10 JKGE Cc1cc(Cl)c(Br)cc1[C@H](Br)c1nn(C)c(Cl)c1Br 2137637037 KPOMTOLOFPEHBI-VIFPVBQESA-N 491.836 6.045 50 10 JKGE Cc1cc(Cl)c(Br)cc1[C@H](Br)c1cc(F)ccc1Br 2137642540 KBYOWWUQXZYOEJ-AWEZNQCLSA-N 471.389 6.797 50 10 JKGE Brc1ccc([C@H](Br)[C@@H]2C[C@@H]2C2CCOCC2)c(Br)c1 2138849749 FPCZXDFBFPLOKY-NFAWXSAZSA-N 453.012 5.710 50 10 JKGE Cl[C@@H](c1ccc(-c2cccs2)s1)c1scc(Br)c1Br 2140969637 BEBUWDMIYHUQMF-LBPRGKRZSA-N 454.661 7.391 50 10 JKGE C[C@]1([C@H](Br)c2cc(I)cc3c2OCC3)C[C@H]1C(F)(F)F 2156889277 JJNALDPBZHUEHO-RTXFEEFZSA-N 461.059 5.251 50 10 JKGE CN(Cc1ccccc1)[C@H](Cn1c(CCl)nc2cc(Cl)c(Br)cc21)C1CC1 2169016257 XZOCDBMZWHXEOT-HXUWFJFHSA-N 467.238 6.102 50 10 JKGE C[C@@]12CN(Cc3ccccc3)C[C@]1(C)CN(c1cc(Br)cc(F)c1CBr)C2 2170695305 MQRKKPJTXIHTHF-SZPZYZBQSA-N 496.262 5.832 50 10 JKGE Cc1c(Br)sc([C@@H](Br)C23CC(C2)[C@@H](C(F)(F)F)O3)c1Br 2193090504 FLZSSNGPXIISGN-SVSDSHHISA-N 498.984 6.127 50 10 JKGE COc1cc(Cl)c([C@H](Br)c2ccc(F)c(Br)c2)cc1Br 2202354034 VKNKKCVGCZENAV-CQSZACIVSA-N 487.388 6.497 50 10 JKGE COc1c(Cl)cc(Br)cc1[C@H](Br)c1cccc(C)c1Br 2203001696 ILKYSTNWBSQBDA-CQSZACIVSA-N 483.425 6.666 50 10 JKGE COc1c(Cl)cc(Br)cc1[C@H](Cl)c1ccc(Br)c(Cl)c1 2203003035 ZVQYWILLKDHRGG-CYBMUJFWSA-N 459.392 6.855 50 10 JKGE C[C@H]([C@H](Br)c1c(Br)cc(Cl)c(Cl)c1Cl)S(C)(=O)=O 2217617082 CLRGELUAXFKGHA-VHWMUFPASA-N 459.414 5.278 50 10 JKGE Fc1cc(Br)c(Br)cc1[C@H](Br)c1cccc(Cl)c1 2218596795 HSPANYKUYPDYJU-CYBMUJFWSA-N 457.362 6.488 50 10 JKGE Cc1cc(Br)c([C@H](Br)c2ccsc2C)c(C)c1Br 2220143247 RQJWJIBOGKGDEC-CQSZACIVSA-N 453.037 6.683 50 10 JKGE CCCOc1ccc(CBr)c(OC[C@@H]2CC2(Br)Br)c1 2224800414 HHZMAHIMTSUWNE-NSHDSACASA-N 457.000 5.255 50 10 JKGE Fc1cc(Br)c(Br)cc1[C@@H](Br)[C@H]1CC[C@H]2C[C@H]1CO2 2225615322 GIGNQAKEORNZII-FMCOEWMSSA-N 456.975 5.602 50 10 JKGE Cc1ccc([C@H](Cl)c2cc(Br)c(Br)cc2F)c(Br)c1 2225633424 JSFKNADKPIYNTL-AWEZNQCLSA-N 471.389 6.750 50 10 JKGE Cc1c(Br)csc1[C@@H](Cl)c1cc(I)cc2c1OCC2 2226125889 ZJOORXLJOAYRQP-LBPRGKRZSA-N 469.569 5.687 50 10 JKGE Cc1cc(Br)ccc1[C@H](Cl)c1c(Br)cc(Cl)c(Cl)c1Cl 2232513803 RUTCTTMXXZKNGG-LBPRGKRZSA-N 477.838 7.808 50 10 JKGE FC1(F)[C@H]2CCC[C@@H]1C[C@@H]([C@H](Br)c1cc(Br)c(Br)s1)C2 2233640346 UPAJFMMYSLGSIJ-UOKLYIGXSA-N 493.049 7.171 50 10 JKGE Cc1c(Br)csc1[C@@H](Br)c1cc2c(cc1Br)OCCO2 2234517904 RRHRQIDQNAMTMY-ZDUSSCGKSA-N 483.019 5.837 50 10 JKGE Cc1cc(Br)c([C@H](Br)C2C[C@@H]3CC[C@H](C2)O3)c(C)c1Br 2235608782 LSTCPSNGMQELHF-DFHPZWACSA-N 467.039 6.222 50 10 JKGE Fc1cc(F)c([C@H](Br)Cc2cccc(Br)c2)c(F)c1Br 2236107979 IELOIMKXTWQPBZ-SECBINFHSA-N 472.924 6.308 50 10 JKGE Clc1ccc(Br)cc1[C@@H](Br)c1ccc2c(c1Br)CCO2 2238081897 JIUZEGHHTJOGPC-HNNXBMFYSA-N 481.409 6.284 50 10 JKGE O=C(c1csc(Br)c1Br)N1[C@H](CBr)C[C@H]2CCCC[C@@H]21 2240729253 SPALBWUWLQOOQK-YWVKMMECSA-N 486.067 5.441 50 10 JKGE Cc1sc([C@@H](Cl)Cc2ccccc2I)c(Br)c1C 2253471002 IDBGXTHWAHLARN-NSHDSACASA-N 455.586 6.255 50 10 JKGE Cl[C@H](c1c(Br)sc(Br)c1Br)[C@]12CCCC[C@H]1CC2 2260512500 ONPICPJMVKPZIE-NYNLCMDTSA-N 477.487 7.286 50 10 JKGE CN(Cc1cccc(I)c1)c1cccc(Br)c1CCl 2265533061 QETQTHKLXKDEQO-UHFFFAOYSA-N 450.545 5.429 50 10 JKGE COc1ccc([C@@H](Br)c2cc(F)cc(Cl)c2)cc1I 2269543364 MJTZYGNKSQLFKI-CQSZACIVSA-N 455.492 5.577 50 10 JKGE CCc1cc([C@@H](Cl)Cc2cc(Br)cc(Br)c2)sc1Br 2277891633 JSCJHXDZLDABSU-LBPRGKRZSA-N 487.482 7.121 50 10 JKGE COc1cc(Cl)c(Cl)cc1[C@H](Br)c1ccc(Cl)c(Br)c1 2279057009 UOIUFGIELQVOPY-CQSZACIVSA-N 459.392 6.902 50 10 JKGE O=C(c1scc(Br)c1Br)N1C[C@H](Br)C[C@H]2CCCC[C@H]21 2279534080 PEZHUPCBRVOGQU-FXPVBKGRSA-N 486.067 5.441 50 10 JKGE CCOc1ccc(Br)cc1[C@@H](Cl)c1ccc(Cl)c(I)c1 2283585862 FNNQPFSKFMGHPA-HNNXBMFYSA-N 485.974 6.434 50 10 JKGE COc1c([C@H](Br)c2coc(Br)c2)cc(Br)c2c1CCC2 2284596568 UQEMTUXSVCLWRM-CQSZACIVSA-N 464.979 5.786 50 10 JKGE COc1cc(C=C(C#N)C(=O)Nc2c(C)cccc2Cl)ccc1OC(=O)c1cccc2ccccc12 2293188306 HHXWDUGEGUIRQY-UHFFFAOYSA-N 496.950 6.575 50 10 JKGE COc1c(C)cc(C)cc1[C@@H](Br)c1ccc(Cl)c(I)c1 2295369557 FZYJPFRHBYCQIJ-HNNXBMFYSA-N 465.556 6.054 50 10 JKGE Cc1c(Cl)cccc1NC(=O)C(C#N)=Cc1ccccc1OCc1cccc(C(F)(F)F)c1 2295672417 VXGSRQZGFLCWMN-UHFFFAOYSA-N 470.878 6.792 50 10 JKGE CN(Cc1cc(Br)ccc1Br)[C@H](CBr)c1ccccc1 2296481010 XTODKJFRLAOCEE-MRXNPFEDSA-N 462.023 5.780 50 10 JKGE N#CC(C(=O)NCCc1ccccc1)=C1S[C@@H](Cc2ccc(Cl)cc2)C(=O)N1c1ccccc1 2296507221 YVVWARJMHCRGNS-DEOSSOPVSA-N 488.012 5.125 50 10 JKGE Cc1ccc(F)cc1NC=C(C#N)c1nc(-c2cc3cc(Br)ccc3oc2=O)cs1 2296769447 OJZZSGLOIPDYPU-UHFFFAOYSA-N 482.334 6.103 50 10 JKGE CCOc1ccccc1NC(SCc1c(F)cccc1Cl)=C(C#N)C(=O)NCc1ccccc1 2297414570 MGIOOANGQGSTQP-UHFFFAOYSA-N 496.007 6.275 50 10 JKGE Cc1c(Br)sc([C@H](Br)C[C@H]2CCC2(F)F)c1Br 2299032003 DPWIDUJKUGCCGE-RNFRBKRXSA-N 452.984 6.453 50 10 JKGE CC[C@]1([C@@H](Br)c2ccc(OCc3ccccc3)cc2Br)CCCO1 2299508270 IYVNZDFUGCOZPU-VQTJNVASSA-N 454.202 6.423 50 10 JKGE C[C@@H]1CCC[C@@H](Br)[C@@H]1Cc1ccc(I)c(Br)c1 2306200229 VQWISACVFQVRER-YUSALJHKSA-N 472.002 5.796 50 10 JKGE Cl[C@@H](c1c(Br)sc(Br)c1Br)[C@H]1OC[C@@H]2CCC[C@H]12 2312252797 HZHIDOUHMQYFFM-XYMMMQBSSA-N 479.459 6.131 50 10 JKGE C[C@]1([C@H](Br)c2cc(Br)ccc2OCc2ccccc2)C[C@H]1C(F)(F)F 2314455224 MVXYZGVEUKPBSS-KURKYZTESA-N 478.146 7.053 50 10 JKGE Brc1cc(OCc2ccccc2)ccc1[C@@H](Br)[C@H]1CC[C@H]2C[C@H]1CO2 2314455657 QINLIDPZAJDSIU-STHPQGGCSA-N 466.213 6.279 50 10 JKGE Brc1cc(OCc2ccccc2)ccc1[C@H](Br)[C@@H]1CC12CCCCC2 2314460718 ODCLEKORDROJAW-FPOVZHCZSA-N 464.241 7.435 50 10 JKGE Cc1ccc(Oc2nc3ccccn3c(=O)c2C=C(C#N)C(=O)Nc2ccccc2Cl)c(C)c1 2314533196 PNGQBZQLFNSFSF-UHFFFAOYSA-N 470.916 5.303 50 10 JKGE FC1(F)C[C@H]([C@H](Br)c2sc(Cl)cc2I)C12CCC2 2316600130 AZSZBNQZPZAGEI-MUWHJKNJSA-N 467.544 6.268 50 10 JKGE Clc1cc(I)c([C@@H](Br)c2ccc3c(c2)CCC3)s1 2316772004 UPFWDLGCHAAIJL-ZDUSSCGKSA-N 453.570 5.979 50 10 JKGE Cc1cc(Br)c(F)c(Br)c1[C@H](Br)C(F)(F)C(F)F 2317429936 YDZHCPFZSJOCRB-QMMMGPOBSA-N 460.860 5.996 50 10 JKGE CCCOc1ccc(C=CC(=O)NNC(=O)c2ccc(-c3ccc(Cl)c(Cl)c3)nc2C)cc1 2321178241 PVTOCXCBTZHIRC-UHFFFAOYSA-N 484.383 5.627 50 10 JKGE CCCOc1c(Cl)cc(C=NNC(=O)CSc2nc3ccccc3s2)cc1Cl 2323195458 GTRAZJOKRIWUNE-UHFFFAOYSA-N 454.404 5.634 50 10 JKGE Cc1cc(I)ccc1NC=C(C#N)C(=O)N[C@H](C)c1ccc2c(c1)CCCC2 2325108135 VYNXTRDEXSSCTG-MRXNPFEDSA-N 485.369 5.175 50 10 JKGE C[C@@H](Cl)c1nc2cc(I)ccc2n1[C@]12C[C@H]1CN(Cc1ccccc1)C2 2329012082 CEXQOEGTKDACGL-ZJTDPSCFSA-N 477.777 5.172 50 10 JKGE N#CC(=C(O)c1ccccc1C(=O)c1ccccc1)c1nc(-c2ccc([N+](=O)[O-])cc2)cs1 2331281071 DEZRUYNYUFIUEL-UHFFFAOYSA-N 453.479 5.899 50 10 JKGE COc1cc(OC)c(-c2csc(C(C#N)=C(O)Cc3ccc(Br)cc3)n2)cc1Cl 2331377608 RNATUWRDXBIRAS-UHFFFAOYSA-N 491.794 6.279 50 10 JKGE COc1cccc(C=C(C#N)c2nc(-c3ccc(C)cc3C)cs2)c1OCc1cccc(C)c1 2331443769 SANGLXDZCWHTJW-UHFFFAOYSA-N 466.606 7.387 50 10 JKGE COc1cc(C=C(C#N)c2nc(-c3ccc(F)c(C)c3)cs2)cc(Br)c1OC(C)C 2331449073 IXSBQFHEYJHYEB-UHFFFAOYSA-N 487.394 6.880 50 10 JKGE Cc1cc(Br)c([C@H](Br)[C@H]2CCC[C@@H]3C[C@H]23)c(C)c1Br 2333708412 ILBVSUFSSDLFPS-KZTGVZKYSA-N 451.040 6.701 50 10 JKGE C[C@@H](CC(C)(C)C)[C@H](Br)c1c(Cl)cc(Br)c(F)c1Br 2337082899 RITWJURQGLIMRU-CPCISQLKSA-N 479.453 7.512 50 10 JKGE BrCCCCCCCCCOc1cc(Br)cc(Br)c1 2338856610 RPCFUJNOALAHNU-UHFFFAOYSA-N 457.044 6.716 50 10 JKGE COc1c(Br)cc(C)c([C@H](Br)C[C@@H](C)C(F)F)c1Br 2339656106 KOTCSAWCYHQAFT-HTQZYQBOSA-N 464.970 6.256 50 10 JKGE CCC1(CC)[C@@H](Br)C[C@@H]1OCc1ccc(Cl)cc1I 2340099626 ALPWOMVGCITEDZ-KBPBESRZSA-N 457.577 5.803 50 10 JKGE CCC1(CC)[C@@H](Br)C[C@H]1OCc1ccc(Cl)cc1I 2340099628 ALPWOMVGCITEDZ-UONOGXRCSA-N 457.577 5.803 50 10 JKGE COc1cc(Cl)c(CBr)c(N(Cc2ccccc2)[C@@H](C)c2cccs2)c1 2340263277 OQDZGJQTHWESCI-HNNXBMFYSA-N 450.829 7.073 50 10 JKGE Cc1c(Br)ccc([C@H](Br)[C@H]2OC[C@@H]3CCCC[C@H]23)c1Br 2358467114 DSVFLUIJPMNLKN-GREKMHCPSA-N 467.039 6.161 50 10 JKGE CCCc1sc(Br)cc1[C@@H](Br)c1ccc(Br)cc1OC 2363263098 PVIZETGTFQYORL-HNNXBMFYSA-N 483.063 6.719 50 10 JKGE COc1c(Br)cc(C)c([C@@H](Cl)c2cc(Cl)c(Cl)s2)c1Br 2365226557 VZYSBZOJVRKFJY-NSHDSACASA-N 479.448 7.225 50 10 JKGE COc1ccsc1[C@@H](Br)c1c(C)cc(Br)c(OC)c1Br 2365229586 BEBHOLIEXVMNEP-LBPRGKRZSA-N 485.035 6.083 50 10 JKGE COc1c(Br)cc(C)c([C@H](Br)CC[C@H]2CCCO2)c1Br 2365231646 NJGXUVDRNITZEW-GHMZBOCLSA-N 471.027 5.924 50 10 JKGE Clc1ccc(C[C@@H](CBr)Cc2ccccc2Cl)c(I)c1 2366712133 LJUIXQPQQJCGRM-NSHDSACASA-N 484.002 6.394 50 10 JKGE CC(C)(C)[C@H]1CC[C@H]1COc1c(Br)cc(Br)cc1CBr 2369286260 FPCUJMQYKJWJMU-GWCFXTLKSA-N 469.055 6.558 50 10 JKGE CC(=NNC(=O)COc1ccc(Cl)cc1Cl)c1cccc(NC(=O)c2ccc(C)s2)c1 1002153 OHYVNWAWMJAVFH-UHFFFAOYSA-N 476.385 5.535 50 10 JKGE N#CC(/C(O)=N/c1ccc(F)cc1)=C1/S[C@H](Cc2ccc(F)cc2)C(=O)N1c1ccc(Cl)cc1 2401488 BPTPCFPVSLOOFK-CKVBZJJFSA-N 495.938 6.333 50 10 JKGE Cc1cccc(C(O)(C(=O)NN(Cc2ccccc2)Cc2ccccc2)c2cccc(C)c2)c1 27520905 FDWKCMMYNLHVNM-UHFFFAOYSA-N 450.582 5.273 50 10 JKGE COc1cc(/C=C(/C#N)c2ccc(Cl)cc2)ccc1OC(=O)/C=C/c1ccc(C(C)C)cc1 31902183 KMRLHCSXSMYTDR-QTGGKGCNSA-N 457.957 7.155 50 10 JKGE COc1ccc(/C(C#N)=C\c2ccc(OC(=O)c3cc4ccccc4oc3=O)c(OC)c2)cc1 31902312 MFUDAFRFYJCDNO-MOSHPQCFSA-N 453.450 5.094 50 10 JKGE COc1ccc(/C(C#N)=C\c2cccc(OC(=O)COc3ccc(Cl)cc3Cl)c2)cc1OC 31902921 FEARWPVZDQMZQE-ZDLGFXPLSA-N 484.335 6.059 50 10 JKGE COc1cc(/C=C(/C#N)c2nc3ccccc3[nH]2)ccc1OCc1ccc(Cl)cc1Cl 33396016 CGRFVIPOKOBLND-YVLHZVERSA-N 450.325 6.521 50 10 JKGE CCCOc1ccccc1/C=C(/C#N)C(=O)Nc1ncc(Cc2cc(Cl)ccc2Cl)s1 33575575 JPWODQJYMPBKMW-YVLHZVERSA-N 472.397 6.375 50 10 JKGE Cn1c(/C(C#N)=C/c2cn(-c3ccccc3)nc2C23CC4CC(CC(C4)C2)C3)nc2ccccc21 35447067 DATOJYUSAHSDAC-OEAKJJBVSA-N 459.597 6.291 50 10 JKGE CCCOc1ccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)[C@H](C)Oc4ccc(CC)cc4)ccc32)cc1 38650716 LYOFSGMTCDUCGN-VKGTZQKMSA-N 498.579 5.629 50 10 JKGE CCCOc1ccc(C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@@H]3c2ccc(Cl)c(Cl)c2)cc1 38655872 KFICDUPKHJPYSX-XMMPIXPASA-N 495.362 6.220 50 10 JKGE COc1ccc(C(=O)N/N=C2\CCCc3oc(C(=O)Nc4cccc(C(F)(F)F)c4)c(C)c32)cc1 40813870 MNIORMQPYHOKJP-NDZAJKAJSA-N 485.462 5.338 50 10 JKGE COc1cc(/C=N/NC(=O)COc2cccc(C)c2C)cc(Br)c1OCc1ccccc1 40889020 CQJDGZCCZABXBV-MZJWZYIUSA-N 497.389 5.183 50 10 JKGE N#C/C(=C\c1cn(Cc2ccc(Cl)cc2)c2ccccc12)C(=O)N1CCN(c2ccccc2)CC1 59676712 MSBSRRFLNGWDHH-PTGBLXJZSA-N 480.999 5.599 50 10 JKGE C/C(=N\NC(=O)c1ccc(NC(=O)C2CCCCC2)cc1)C(c1ccccc1)c1ccccc1 66202591 HADCIOHGEWXHMC-NJZRLIGZSA-N 453.586 6.143 50 10 JKGE CCCCCCCCCCCCCC(=O)NNC(=O)c1ccc(OC)c(Br)c1 100443001 ONSHSLUFWHAWFZ-UHFFFAOYSA-N 455.437 5.920 50 10 JKGE C=CCN1C(=O)C(C#N)=C(C)/C(=C\c2ccc(OCc3ccc(Cl)cc3Cl)c(OC)c2)C1=O 101230877 ZHOGESSDEKUWSV-VXLYETTFSA-N 483.351 5.359 50 10 JKGE COc1ccc(CN2C(=O)C(C#N)=C(C)/C(=C\c3ccc(OCc4ccc(F)cc4)cc3)C2=O)cc1 101340069 BZFNKNZEDWYMRB-CVKSISIWSA-N 482.511 5.206 50 10 JKGE CCCOc1ccc(-c2nn(-c3ccccc3)cc2/C=C(/C#N)c2nc3ccccc3n2C)cc1 102858394 ZTPXTXOWMJMCPI-PYCFMQQDSA-N 459.553 6.279 50 10 JKGE COc1c(Br)cc(Cl)cc1[C@@H](Br)Cc1cccc(Br)c1 109836194 WYFQCBWAUGSBBM-ZDUSSCGKSA-N 483.425 6.552 50 10 JKGE BrC[C@@H](CCOc1ccc(Br)cc1)c1cccc(Br)c1 118859482 YBTMFDVZRDXTEK-CYBMUJFWSA-N 463.007 6.159 50 10 JKGE Brc1ccsc1[C@H](Br)c1ccc(I)cc1 128580697 JSYTXCHRCJFRQU-SNVBAGLBSA-N 457.956 5.600 50 10 JKGE CCOc1ccc([C@@H](Cl)c2cc(Br)c(Br)s2)c(Br)c1 128881886 AKRZTRDHUNGZNL-GFCCVEGCSA-N 489.454 6.763 50 10 JKGE CC1(C)CC[C@H](CC(CBr)(CBr)c2cccc(Br)c2)O1 161378310 NLSOKUYKEUIART-CQSZACIVSA-N 469.055 5.824 50 10 JKGE Clc1ccc(CO[C@@H](CI)c2ccccc2Br)cc1 162448247 MNJSTPMNWKDZOF-HNNXBMFYSA-N 451.529 5.795 50 10 JKGE CC(C)CCOc1cccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)/C=C\c4ccccc4)ccc32)c1 205659282 HRFWOVISZXRDJE-DAKWHLKCSA-N 480.564 5.948 50 10 JKGE CCCO[C@H]1[C@@H](Oc2c(Br)cc(Br)cc2Br)C[C@H]1Cl 233241321 PFRADKDKURBXNK-NTZNESFSSA-N 477.418 5.528 50 10 JKGE CCOc1ccc([C@@H](Br)c2cccc(Br)c2F)c(Br)c1 233820019 CDZKEVXOTOBXFC-CQSZACIVSA-N 466.970 6.234 50 10 JKGE C[C@@H]1C[C@H](O[C@H](CI)c2ccc(Br)cc2)CC(C)(C)C1 253111356 DHPJIRPIRAXZMB-UHOFOFEASA-N 451.186 6.157 50 10 JKGE CC(=NNC(=O)c1ccc(CN2C(=O)c3cccc4cccc2c34)cc1)c1ccc(-n2ccnc2)cc1 254402574 CIZAPUHPQXDCRX-UHFFFAOYSA-N 485.547 5.340 50 10 JKGE Cc1oc(Br)cc1[C@H](Br)c1csc2c(Br)cccc12 396591041 MBRQVZHICBEQQX-ZDUSSCGKSA-N 465.004 6.812 50 10 JKGE Fc1cc(Br)c([C@@H](Cl)c2csc(I)c2)c(F)c1F 398726751 KYGKPQAXEMOLQX-VIFPVBQESA-N 467.475 5.861 50 10 JKGE CCOc1ccc(Br)cc1[C@@H](Br)c1nscc1Br 404816485 PZMMNPBPALNERT-LLVKDONJSA-N 455.997 5.551 50 10 JKGE CC(C)(C)OC(=O)NCCN1CCC[C@H](c2cccc(CO[Si](C)(C)C(C)(C)C)c2)CC1 616627129 DLTQIWKXDKKWHE-QFIPXVFZSA-N 462.751 6.303 50 10 JKGE Fc1c(Br)ccc(C[C@H](CBr)c2ccccc2Br)c1F 700999480 AAVAYCJLENGLRJ-SNVBAGLBSA-N 468.961 6.211 50 10 JKGE COc1ccc(OC)c([C@H](Br)c2scc(Br)c2Br)c1 705468431 UIAFVFCFKBXJBW-NSHDSACASA-N 471.008 5.775 50 10 JKGE Fc1ccc([C@@H](Br)c2ccc(I)c(Br)c2)cc1 721587182 KYOXCOPDELDZPW-CYBMUJFWSA-N 469.917 5.677 50 10 JKGE COc1cc(/C=C(\C#N)C(=O)Nc2cccc(Cl)c2Cl)ccc1OCc1ccccc1C#N 1083995796 BJXSOFQZHMEUBJ-YBFXNURJSA-N 478.335 5.998 50 10 JKGE CCOc1cc(/C=C(\C#N)C(=O)N(C)C)cc(Cl)c1OCc1ccc(Br)cc1 1084240506 ZUGWCHVNNOSAFM-CXUHLZMHSA-N 463.759 5.075 50 10 JKGE Cc1ccc(-n2c(C)c(Br)c(C=NNC(=O)c3cc4ccccc4cc3O)c2C)cc1 1084292913 BLOZFXGGTLTEHI-UHFFFAOYSA-N 476.374 5.788 50 10 JKGE O=C(CCCC(=O)Nc1ccc(Br)cc1)NN=Cc1cccc(Cl)c1Cl 1084439319 BDACPXLMVBEFLY-UHFFFAOYSA-N 457.155 5.015 50 10 JKGE O=C(NN=Cc1ccc(Oc2ccc(C(F)(F)F)cc2[N+](=O)[O-])cc1)c1ccc(Cl)cc1Cl 1084492898 MJLMHSMKRYOJHF-UHFFFAOYSA-N 498.244 6.477 50 10 JKGE Cc1c(C(=O)Nc2ccc(F)cc2F)oc2c1C(=NNC(=O)c1ccc3ccccc3n1)CCC2 1772751715 WZRCDEQGFKKOEU-UHFFFAOYSA-N 474.467 5.137 50 10 JKGE CCCCCCOc1ccc(C=NNC(=O)COc2ccc(Br)cc2CC)cc1OC 1772755869 TYLDKWWPJWRMAI-UHFFFAOYSA-N 491.426 5.508 50 10 JKGE COc1ccc(-c2nn(-c3ccccc3Cl)c3c2[C@@H](c2ccc(C)cc2)C(C#N)=C(N)O3)cc1 1865684936 BAQABLMEHNUYHC-QHCPKHFHSA-N 468.944 5.728 50 10 JKGE CCOc1c(OC)cccc1[C@@H]1C(C#N)=C(N)Oc2c1c(C(F)(F)F)nn2-c1ccccc1Cl 1865693863 RGVVBIXHGYJTNL-QGZVFWFLSA-N 490.869 5.170 50 10 JKGE CCCc1nn(Cc2ccccc2Cl)c2c1[C@H](c1cn(C)c3ccccc13)C(C#N)=C(N)O2 1865698781 CLIIIRBARAGMIC-QHCPKHFHSA-N 457.965 5.247 50 10 JKGE N#CC1=C(N)Oc2c(c(-c3ccccc3)nn2Cc2ccc(F)cc2)[C@@H]1c1c[nH]c2ccccc12 1865700568 XNRGBZCGQGRENG-DEOSSOPVSA-N 461.500 5.437 50 10 JKGE CCN(CC)c1ccc([C@@H]2C(C#N)=C(N)Oc3c2c(-c2ccccc2)nn3-c2ccccc2Cl)cc1 1865702164 OMQMFQWVTLFJDD-RUZDIDTESA-N 496.014 6.257 50 10 JKGE CC(C)Oc1ccccc1[C@H]1C(C#N)=C(N)Oc2c1c(C(F)(F)F)nn2-c1ccccc1Cl 1865705041 KMXYXOOBMRQPPF-SFHVURJKSA-N 474.870 5.550 50 10 JKGE CC[C@@](C)(NC(=O)C[C@H](CC(C)C)c1ccc(F)cc1)C(=O)Nc1ccc(SC#N)cc1 1867105452 VVBIOZKOTCUXSP-UQBPGWFLSA-N 455.599 5.842 50 10 JKGE CCOc1ccccc1Oc1c(C)oc2cc(OCc3cccc(CCl)c3)ccc2c1=O 1871437400 VWMBBWDPUXHYDR-UHFFFAOYSA-N 450.918 6.610 50 10 JKGE CCn1c(/C(C#N)=C/c2cccc(OC)c2OCc2ccc(Cl)c(Cl)c2)nc2ccccc21 1872731106 QXEASKKKSQUTCG-XMHGGMMESA-N 478.379 7.015 50 10 JKGE CCCCc1ccc(-c2csc(/C(C#N)=C(\O)[C@H](CC(C)C)N3C(=O)c4ccccc4C3=O)n2)cc1 1872744902 NVJJSVMEBMPWGQ-RITGCEONSA-N 499.636 6.656 50 10 JKGE N#C/C(=C(/O)CCCN1C(=O)c2ccc([N+](=O)[O-])cc2C1=O)c1nc(-c2ccccc2Cl)cs1 1872745780 CIVQPAMUFMQZHJ-JZJYNLBNSA-N 494.916 5.241 50 10 JKGE CCCCOc1ccc(/C(O)=C(\C#N)c2nc(-c3cccc(Br)c3)cs2)cc1OCC 1872746143 UMHMRCLEOCUIQS-NMWGTECJSA-N 499.430 7.100 50 10 JKGE COc1cc(/C=C/C(O)=C(\C#N)c2nc(-c3ccc(Br)cc3)cs2)cc(OC)c1OC 1872746563 NPWMVXYOHMYDOZ-OWKATGKCSA-N 499.386 6.104 50 10 JKGE N#C/C(=C(/O)CCCOc1ccc(Cl)cc1)c1nc(-c2ccc3c(c2)OCCO3)cs1 1872751256 YZLQVLHDQKBZPE-ZZEZOPTASA-N 454.935 5.887 50 10 JKGE CCCCCCCOc1ccc(-c2csc(/C(C#N)=C(\O)[C@H](C)Oc3ccc(Cl)cc3)n2)cc1 1872753143 ITFNFRMATADRJI-BOKVAXDPSA-N 497.060 8.073 50 10 JKGE COc1c(Cl)cc(-c2csc(/C(C#N)=C(\O)c3cc([N+](=O)[O-])cc([N+](=O)[O-])c3)n2)cc1Cl 1872755923 LWSSDLXGSMARAN-LGMDPLHJSA-N 493.284 5.892 50 10 JKGE CCCCCOc1ccc(/C=C(\C#N)c2nc(-c3ccc(Cl)cc3Cl)cs2)cc1OCC 1872781776 QLAPDRQJZOIYOY-LDADJPATSA-N 487.452 8.149 50 10 JKGE CCCCOc1ccc(/C=C(\C#N)c2nc(-c3ccc(OC)c(OC)c3OC)cs2)cc1 1872795084 MKJCZTXXQXWMSF-NBVRZTHBSA-N 450.560 6.079 50 10 JKGE CCCCOc1ccc(/C=C(\C#N)c2nc(-c3ccc(OC)c(OC)c3OC)cs2)cc1OC 1872795211 SVEUAXOPXNZVKN-QGOAFFKASA-N 480.586 6.088 50 10 JKGE COc1cc(/C=C/C(O)=C(\C#N)c2nc(-c3ccc(F)cc3F)cs2)ccc1OC(C)=O 1872817907 CQCBXWKILYFSMJ-UIZFBHIPSA-N 454.454 5.528 50 10 JKGE Cc1c(Cl)cccc1COc1c(Br)cc(Br)cc1CBr 1913034204 IPBLAGAFVAWDDF-UHFFFAOYSA-N 483.425 6.647 50 10 JKGE Cc1c(Br)sc([C@@H](Cl)c2ccsc2Br)c1Br 1922881896 FISMRJWIXBHSPA-ZETCQYMHSA-N 465.457 6.734 50 10 JKGE Cc1c(Br)sc([C@@H](Br)[C@@]2(C)CC[C@@H](C)C2(C)C)c1Br 1922907878 ZCSPCUSPFKUWMX-AOAMOSOWSA-N 473.112 7.480 50 10 JKGE Cc1c(Br)sc([C@H](Br)[C@@H]2CC[C@H]3C[C@H]2CO3)c1Br 1922928686 BOEVEFBIICGQMD-WYOJIJJFSA-N 459.041 5.833 50 10 JKGE CCOC1CC(C[C@H](Br)c2sc(Br)c(C)c2Br)C1 1922953921 IWNZCGYOGXSMNS-RTBKNWGFSA-N 461.057 6.223 50 10 JKGE Cc1cc(Cl)cc([C@@H](Br)c2c(Br)sc(Br)c2Cl)c1 1923054267 COOVHEMEJQRCGV-SECBINFHSA-N 493.873 7.373 50 10 JKGE COC[C@]1([C@@H](Cl)c2c(Br)sc(Br)c2Br)CCCO1 1924615883 HSRBDGPJANIFEJ-KWQFWETISA-N 483.447 5.511 50 10 JKGE Cc1cc([C@H](Br)c2c(Cl)sc(Cl)c2Cl)c(Br)s1 1951016017 HXOIZWHDQIBDGK-LURJTMIESA-N 455.451 7.325 50 10 JKGE Brc1cc(Br)c(NC[C@H]2C[C@@H](Br)C2)c(Br)c1 1991469044 GDSQSNVUJAXNGZ-KNVOCYPGSA-N 476.832 5.560 50 10 JKGE Cc1c(Cl)cc([C@@H](Cl)c2cc(Br)sc2Br)cc1Br 2048503894 QGLXDJBACVVIIC-LLVKDONJSA-N 493.873 7.326 50 10 JKGE C[C@H](NC(=O)C(C#N)=Cc1cccc(C=C(C#N)C(=O)N[C@H](C)c2ccccc2)c1)c1ccccc1 2053614159 DDYBXSYIBASVAM-SZPZYZBQSA-N 474.564 5.255 50 10 JKGE CCOc1ccc(Br)cc1[C@H](Cl)c1cc(I)sn1 2056486958 GSDYWYMNASTUNV-LBPRGKRZSA-N 458.546 5.237 50 10 JKGE COC1CC(CC[C@H](Br)c2cc(Br)c(C)cc2Br)C1 2104628071 BIPLPLFOGVKQFE-XIVSLSHWSA-N 455.028 6.161 50 10 JKGE Fc1cc(CC[C@H](Br)c2ccccc2Br)ccc1Br 2113436139 HFOAUYPRIQXJEH-ZDUSSCGKSA-N 450.971 6.420 50 10 JKGE Clc1ccc([C@H](Br)CCc2cc(Cl)ccc2I)cc1 2113487196 NLFYADYFOJHZRO-CQSZACIVSA-N 469.975 6.667 50 10 JKGE O=C(c1cc(Br)c(Br)s1)N(CCBr)Cc1ccsc1 2114642185 FJDRGMJZQTZNLJ-UHFFFAOYSA-N 488.064 5.372 50 10 JKGE CC1([C@H](Cl)c2c(Br)sc(Br)c2Br)CCCCCCC1 2116022421 HEIWHHCSTFSUFP-LLVKDONJSA-N 493.530 8.066 50 10 JKGE CCC[C@H](Br)c1cn(-c2c(Br)cc(Cl)cc2Br)nn1 2121073072 LUYICALNUAWKLB-QMMMGPOBSA-N 472.406 5.682 50 10 JKGE CC(C)[C@H](C)N(Cc1ccccc1)S(=O)(=O)c1cc(CBr)c(Cl)cc1Cl 2123252014 LUSHUWLHRWMGST-AWEZNQCLSA-N 479.267 6.124 50 10 JKGE FC(F)(F)[C@H]1CN(Cc2ccccc2)CCN1c1cc(Br)ccc1CBr 2130160072 REANKUDNNCWOPA-GOSISDBHSA-N 492.177 5.597 50 10 JKGE Cc1cc(Br)c(C)c([C@H](Br)[C@@H]2C[C@H](C)O[C@@H]2C)c1Br 2136368101 UZMOUEJWCMCBHM-HEVDRARRSA-N 455.028 6.078 50 10 JKGE Cc1cc(Cl)c(Br)cc1[C@@H](Br)Cc1ccc(Br)cc1 2137642559 KGMBCZSKHWUQSD-ZDUSSCGKSA-N 467.426 6.852 50 10 JKGE CSc1ccc([C@@H](Br)c2ccc(Br)c(C)c2Br)cc1 2138853076 PEWIQOVVMOEOEA-OAHLLOKOSA-N 465.048 6.726 50 10 JKGE Cc1c(Br)ccc([C@@H](Br)C23CCOC(C)(C2)C3)c1Br 2138872337 RRDMYQVXLQJHMA-WLYUNCDWSA-N 453.012 5.915 50 10 JKGE CC(C)(C)OC(=O)N1CCC[C@](CI)(OC2CC3(C2)CC2(CCC2)C3)C1 2140250225 KNPIHDVPLBXCSB-OAQYLSRUSA-N 475.411 5.321 50 10 JKGE COCC12CC([C@H](Br)c3sc(Br)c(C)c3Br)(CO1)C2 2141162577 FQSWEEMXGKMALM-QFWMXSHPSA-N 475.040 5.213 50 10 JKGE Cc1cc(Br)c([C@H](Br)[C@]23CCCC[C@@H]2CCC3)cc1Br 2149050061 CMQFFBRKZZLPEF-DQYPLSBCSA-N 465.067 7.317 50 10 JKGE CCn1ncc(Br)c1[C@@H](Cl)c1scc(C(F)(F)F)c1Br 2150668597 NCROIQVAOPOSFF-MRVPVSSYSA-N 452.521 5.837 50 10 JKGE CC1(C)C[C@H](n2c(CCCl)nc3cc(I)ccc32)CN1Cc1ccccc1 2154533619 BAWPRSCZAPRMLB-SFHVURJKSA-N 493.820 5.648 50 10 JKGE CC(C)CO[C@H]1[C@@H](Oc2c(Br)cc(Br)cc2Br)C[C@H]1Cl 2165550678 CLDQKSNEHGLCKJ-MBNYWOFBSA-N 491.445 5.774 50 10 JKGE CCOc1ccc([C@H](Br)c2nn(CC)cc2Br)cc1Br 2181174229 ISZHZIBBINOGHD-ZDUSSCGKSA-N 466.999 5.311 50 10 JKGE Cl[C@H]1[C@H](CNc2ncc(I)cc2Br)CCCC12CCC2 2189906704 KJABIPXEEFQJKY-GWCFXTLKSA-N 469.592 5.438 50 10 JKGE COc1cc([C@H](Cl)c2cc(Br)c(C)cc2Br)ccc1Br 2192150395 GVYXECLUGFRJEJ-HNNXBMFYSA-N 483.425 6.619 50 10 JKGE Cc1c(Br)ccc([C@H](Br)C(C(F)(F)F)C(F)(F)F)c1Br 2203682240 DCSUHZZJTNIJHN-QMMMGPOBSA-N 492.877 6.697 50 10 JKGE Brc1ccc([C@H](Br)[C@H]2CC3(CCCCC3)CO2)c(Br)c1 2203687008 VSDJQOYBKDDOOY-CABCVRRESA-N 467.039 6.387 50 10 JKGE C[C@@H]1CCC[C@@H]([C@@H](Cl)c2c(Br)sc(Br)c2Br)O1 2214323476 GEDTXJLKJULKKS-QIOHGKGESA-N 467.448 6.273 50 10 JKGE Fc1cc(Br)c(Br)cc1[C@@H](Br)c1ccccc1Cl 2218597160 KRYLXSFOFQYNFJ-ZDUSSCGKSA-N 457.362 6.488 50 10 JKGE Cc1cc([C@@H](Cl)c2c(Br)cc(Cl)c(Cl)c2Cl)sc1Br 2224316186 BCJBZWBQISLAOI-SNVBAGLBSA-N 483.867 7.870 50 10 JKGE C[C@H]([C@@H]1CCCO1)[C@H](Br)c1c(Br)cc(Cl)c(Cl)c1Cl 2224317128 KZEJATSTCUZMHG-PUMQYWBSSA-N 451.413 6.660 50 10 JKGE ClCCc1nc2cc(Br)c(Br)cc2n1[C@H]1C[C@@H](Br)C1 2225700004 CJOXWGMPVBALRX-OCAPTIKFSA-N 471.418 5.441 50 10 JKGE Cc1ccc([C@@H](Br)c2c(Br)cc(Cl)c(Cl)c2Cl)c(C)c1 2232514771 VTXZDUIWKFCCLW-CYBMUJFWSA-N 457.420 7.510 50 10 JKGE C[C@H]1[C@H](n2c(CCCl)nc3c(F)cc(Br)cc32)CCN1Cc1ccccc1 2232922312 VZWFXZUUHHVVTM-KBXCAEBGSA-N 450.783 5.555 50 10 JKGE Cc1sc([C@H](Br)c2cc(Br)cc3c2OCC3)c(C)c1Br 2234469581 KFTFLGUNLWSMOT-CYBMUJFWSA-N 481.047 6.309 50 10 JKGE Cn1ncc([C@@H](Cl)c2cc3sc(Br)cc3s2)c1I 2263621704 YDWGNMMRLKGVPS-SNVBAGLBSA-N 473.586 5.392 50 10 JKGE COc1ccc([C@H](Br)c2cc(Br)ccc2C)cc1I 2269538298 AKFOJNGUWBQMTL-HNNXBMFYSA-N 495.980 5.855 50 10 JKGE Brc1coc([C@@H](Br)c2cc(Br)c3c(c2)CCCO3)c1 2270490087 KZCAINPKXYSSOF-ZDUSSCGKSA-N 450.952 5.614 50 10 JKGE C[C@H]1CCC[C@@](CI)(OCc2cc(Br)ccc2Cl)C1 2277806768 MMZXKEMQFBERLM-XHDPSFHLSA-N 457.577 6.003 50 10 JKGE Fc1ccc([C@H](Br)c2cc3sc(Br)cc3s2)c(Br)c1 2278103170 URVVLAJPLKXBPE-ZDUSSCGKSA-N 485.035 7.111 50 10 JKGE Cc1cc(Br)c([C@H](Br)c2cccc(Br)c2Cl)c(C)c1F 2279158430 SVSSFVHXVCVBIQ-CYBMUJFWSA-N 485.416 7.105 50 10 JKGE C[C@H](c1ccncc1Br)[C@H](Br)c1cc(F)c(Br)cc1Cl 2282906296 ABVUWJJZVLUEIU-UOWDBTKRSA-N 486.404 6.639 50 10 JKGE COc1cc(Cl)c([C@@H](Cl)c2cccc(Cl)c2Br)cc1Br 2283192181 UKJMQHDWXFXJQJ-AWEZNQCLSA-N 459.392 6.855 50 10 JKGE Cc1c(C=C(C#N)C(=O)NCCc2c[nH]c3ccccc23)c2ccccc2n1Cc1ccccc1C#N 2294168644 XNPOVVNOEKJLES-UHFFFAOYSA-N 483.575 5.617 50 10 JKGE Brc1cc(Br)cc(C[C@@H](Br)c2cccc3ccsc23)c1 2295337069 FELALNMYUXTUBQ-OAHLLOKOSA-N 475.043 7.105 50 10 JKGE Cc1cccc(NC(=O)C(C#N)=C2S[C@@H](Cc3ccccc3Cl)C(=O)N2c2ccccc2C)c1 2296507100 SYNUGUMXLWAXII-DEOSSOPVSA-N 488.012 6.022 50 10 JKGE Cc1ccc(NC(SCc2ccccc2F)=C(C#N)S(=O)(=O)c2ccccc2)cc1C 2297350093 UZZVHFDXKCSZLS-UHFFFAOYSA-N 452.576 5.954 50 10 JKGE CCOC(=O)C(C#N)=C(Nc1ccc(OC)cc1)SC(=CC=C(C#N)C#N)c1ccccc1 2297534063 OJVKPZIDIKMXOD-UHFFFAOYSA-N 456.527 5.153 50 10 JKGE CO[C@@H]1C[C@]2([C@H](Br)c3cc(Br)ccc3OCc3ccccc3)C[C@@H]12 2299500220 DEKIADHRYNGTCP-MTFMMBMASA-N 452.186 5.889 50 10 JKGE O=C(N[C@H](CCCl)COCc1ccccc1)c1cccc(Br)c1Br 2303700498 YLCJGVQAOFMVEB-CQSZACIVSA-N 475.608 5.156 50 10 JKGE N#CC(=Cc1cn(Cc2ccc([N+](=O)[O-])cc2)c2ccccc12)C(=O)Nc1cccc(Cl)c1Cl 2313570901 IUFLYCHRJSCVKO-UHFFFAOYSA-N 491.334 6.450 50 10 JKGE COc1cc(C=C(C#N)C(=O)Nc2cccc(C(F)(F)F)c2)ccc1OCc1cccc(C)c1 2313730265 LFJSULRDBQDWHP-UHFFFAOYSA-N 466.459 6.147 50 10 JKGE COc1cccc2cc(-c3nn(-c4ccccc4)cc3C=C(C#N)C(=O)NC3CCCCC3)oc12 2314450882 ZYSREVDMUSMXAZ-UHFFFAOYSA-N 466.541 5.650 50 10 JKGE CC[C@H](CC(F)(F)F)[C@@H](Br)c1cc(Br)ccc1OCc1ccccc1 2314452850 QYIAXKFVYDVSNE-RDTXWAMCSA-N 480.162 7.443 50 10 JKGE Fc1c(Br)cc(Cl)c([C@@H](Br)c2cscc2Cl)c1Br 2315440336 RIJAZHSMCMPJQP-VIFPVBQESA-N 497.836 7.203 50 10 JKGE C[C@@H](C[C@@H](Br)c1c(Cl)cc(Br)c(F)c1Br)C(F)F 2315461208 RBUVRWXFJXVGAP-CRCLSJGQSA-N 473.352 6.731 50 10 JKGE COc1ccc(C(C#N)=Cc2ccc(OC(=O)C=Cc3ccc(C(C)C)cc3)cc2)cc1OC 2320506677 PCZCDLIKYITQHC-UHFFFAOYSA-N 453.538 6.510 50 10 JKGE Cc1cc(I)ccc1NC=C(C#N)C(=O)Nc1cc(Cl)ccc1Cl 2324383336 JIPWSGGIZUTWNE-UHFFFAOYSA-N 472.113 5.365 50 10 JKGE COc1ccc(C=C2Oc3cc(OCc4cccc(CCl)c4)cc(C)c3C2=O)c(OC)c1OC 2325361182 ZNDXEVRXVMZZHD-UHFFFAOYSA-N 480.944 5.955 50 10 JKGE N#CC(=Cc1ccccc1OCc1ccc(Cl)c(Cl)c1)S(=O)(=O)c1ccc(Cl)cc1 2331030589 LUOISDGGGBZOCK-UHFFFAOYSA-N 478.784 6.564 50 10 JKGE N#CC(=C(O)CCCOc1ccc(Cl)cc1Cl)c1nc(-c2ccc3c(c2)CCCC3)cs1 2331240291 SOYWMIAVHZUETK-UHFFFAOYSA-N 485.436 7.648 50 10 JKGE COc1ccccc1-c1csc(C(C#N)=C(O)[C@H]2CC(=O)N(c3cc(Cl)ccc3OC)C2)n1 2331281990 QRQFYEJEMNESHZ-AWEZNQCLSA-N 481.961 5.326 50 10 JKGE N#CC(=C(O)CCN1C(=O)c2ccccc2C1=O)c1nc(-c2cccc3ccccc23)cs1 2331339298 VRQGXFCEMVYDMO-UHFFFAOYSA-N 451.507 5.442 50 10 JKGE Cc1cc(C)c(C)c(-c2csc(C(C#N)=C(O)C(c3ccccc3)c3ccccc3)n2)c1C 2331364780 VXGHMCKJJXVLAQ-UHFFFAOYSA-N 450.607 7.669 50 10 JKGE CCCOc1ccc(CC(O)=C(C#N)c2nc(-c3cc(Cl)c(OC)cc3OC)cs2)cc1 2331377641 WGTBLZBJBIMBBP-UHFFFAOYSA-N 470.978 6.305 50 10 JKGE CCOC(=O)Oc1ccc(C(O)=C(C#N)c2nc(-c3cc(Cl)cc(C)c3OC)cs2)cc1 2331392034 JJUJCWBQNMCHCP-UHFFFAOYSA-N 470.934 6.266 50 10 JKGE COc1ccc(-c2csc(C(C#N)=C(O)c3ccccc3I)n2)cc1Cl 2331399423 JCGTVAWWIPZROY-UHFFFAOYSA-N 494.741 6.027 50 10 JKGE CCOc1cc(C=C(C#N)c2nc(-c3ccc([N+](=O)[O-])cc3)cs2)ccc1OCc1ccc(C)cc1 2331432771 WXIMODNTNQUKLW-UHFFFAOYSA-N 497.576 7.069 50 10 JKGE CCOc1c(Br)cc(C=C(C#N)c2nc(-c3ccc(F)c(C)c3)cs2)cc1OC 2331449139 PXTKPGBBEMEMEB-UHFFFAOYSA-N 473.367 6.492 50 10 JKGE C[C@@H](Cl)c1nc2cc(Br)c(Br)cc2n1C[C@@H]1C[C@H]1Br 2333607912 IITXAPWTPRBYQA-GJMOJQLCSA-N 471.418 5.645 50 10 JKGE Fc1c(Br)cc(Cl)c([C@@H](Br)CC[C@H]2CCCO2)c1Br 2337092863 XBVZKTXBGOIJNW-SFYZADRCSA-N 479.409 6.399 50 10 JKGE C[C@@H]1CCCN(Cc2ccc(Cl)c(I)c2)[C@@H]1CCBr 2337224220 WMHRXMGPXRUIEU-IAQYHMDHSA-N 456.593 5.330 50 10 JKGE CN(Cc1ccc(Cl)c(I)c1)[C@@H]1CCCCC[C@H]1Br 2337228920 CLPJPYXHHQFTSU-IUODEOHRSA-N 456.593 5.473 50 10 JKGE CC(C)(C)c1cccc([C@H](Br)c2sc(Cl)cc2I)c1 2338772138 DEVNASCZMSTACS-ZDUSSCGKSA-N 469.613 6.788 50 10 JKGE Cc1cc(Br)c(F)c(Br)c1[C@H](Br)[C@H]1C[C@@H]1C(C)(F)F 2339686226 LJTUCXXALAOWHO-MHYGZLNHSA-N 464.945 6.386 50 10 JKGE Brc1cc([C@@H](Br)c2cc3c(cc2Br)OCCC3)co1 2343583142 CKJVQLWEJZUZNX-CQSZACIVSA-N 450.952 5.614 50 10 JKGE Clc1ccc(I)cc1CN1CC2(CBr)CCC1CC2 2352426650 AJRNZZZDUOOFBJ-UHFFFAOYSA-N 454.577 5.084 50 10 JKGE Cn1nc(Br)c(Br)c1[C@H](Br)Cc1nc2ccccc2s1 2364233859 GBEUUBASDWKODG-SSDOTTSWSA-N 480.023 5.234 50 10 JKGE COc1c(Br)cc(C)c([C@@H](Br)C[C@@H]2CCC2(F)F)c1Br 2365176982 VKFUKKWDFAQUQQ-IUCAKERBSA-N 476.981 6.400 50 10 JKGE Cc1cc(Br)c(F)c(Br)c1[C@H](Br)[C@@H]1CC12CC(F)(F)C2 2365193079 GBOTYICNXGDFII-OIBJUYFYSA-N 476.956 6.531 50 10 JKGE COc1c(Br)cc(C)c([C@H](Br)C[C@H]2CCO[C@H]2C)c1Br 2365217484 FIOLWLDPFUPYMY-HBNTYKKESA-N 471.027 5.780 50 10 JKGE O=C(COc1ccc(-c2ccccc2)cc1)NN=C(/C=C\c1ccccc1)/C=C/c1ccccc1 33380310 VYAMIZUZSXKGSB-CNQPKNNGSA-N 458.561 6.631 50 10 JKGE COc1cccc2cc(-c3nn(-c4ccccc4)cc3/C=C(/C#N)C(=O)NC3CCCC3)oc12 33515878 QHFXUTJIOQAGQF-RGEXLXHISA-N 452.514 5.260 50 10 JKGE CCOC(=O)c1c(-c2ccc(CC)cc2)csc1NC(=O)/C(C#N)=C\c1ccc(C(C)C)cc1 33595201 XNHYHSAWOGPCKN-HAHDFKILSA-N 472.610 6.823 50 10 JKGE O=C(/C=C\c1ccccc1)Oc1ccccc1/C=N\NC(=O)c1ccc(NC(=O)c2ccccc2)cc1 33909981 GLOKHUDQTSNZNY-PYYWNEEZSA-N 489.531 5.322 50 10 JKGE COc1ccc(-c2nn(Cc3ccccc3)cc2/C=C(/C#N)C(=O)Nc2ccc(OC)cc2OC)cc1 35003855 STVHDDDFPJFVDL-JCMHNJIXSA-N 494.551 5.170 50 10 JKGE CCCCCOc1ccc(/C=C2/C(=O)N(Cc3ccc(F)cc3)C(=O)C(C#N)=C2C)cc1OC 38608702 IGKBMKKSBHUHGH-HYARGMPZSA-N 462.521 5.196 50 10 JKGE CCOc1ccccc1C(=O)Oc1ccc2c(c1)OC(N)=C(C#N)[C@H]2c1ccc(C(C)(C)C)cc1 38649872 KXAYFAHWZFTYDC-SANMLTNESA-N 468.553 5.820 50 10 JKGE N#CC1=C(N)Oc2cc(OC(=O)COc3ccc(Cl)cc3)ccc2[C@@H]1c1ccccc1Cl 38650976 ZZPQRCHITLFVDP-QHCPKHFHSA-N 467.308 5.196 50 10 JKGE Cc1ccccc1OCC(=O)Oc1ccc2c(c1)OC(N)=C(C#N)[C@H]2c1ccc(Cl)c(Cl)c1 38655751 FHMSAFVLLQKPAC-DEOSSOPVSA-N 481.335 5.504 50 10 JKGE C=CCOc1ccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4ccccc4OCCC)ccc32)cc1 38658263 WWYKDGHHIPMNDL-MHZLTWQESA-N 482.536 5.478 50 10 JKGE N#CC1=C(N)Oc2cc(OC(=O)c3ccc(F)cc3)ccc2[C@@H]1c1c(Cl)cccc1Cl 38679532 GUDPBHMIAXKJNJ-FQEVSTJZSA-N 455.272 5.570 50 10 JKGE CCCOc1cccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4ccc(OCC)cc4)ccc32)c1 38684412 YJVRUCXNHKKCMY-AREMUKBSSA-N 470.525 5.311 50 10 JKGE CCCCCOc1ccccc1[C@@H]1C(C#N)=C(N)Oc2cc(OC(=O)c3ccccc3)ccc21 38685985 HXQGMKQLCXSXER-SANMLTNESA-N 454.526 5.693 50 10 JKGE N#CC1=C(N)Oc2cc(OC(=O)c3sc4ccccc4c3Cl)ccc2[C@@H]1c1ccc(F)cc1 38688018 SJAOJXDWZCPQEU-NRFANRHFSA-N 476.916 6.131 50 10 JKGE Cc1ccc(S(=O)(=O)/C(C#N)=C/c2cn(-c3ccccc3)nc2-c2ccc3c(c2)OCCO3)cc1C 39850261 DRAAJAYRSXOMLB-MFKUBSTISA-N 497.576 5.266 50 10 JKGE Cc1c(C(=O)Nc2ccccc2F)oc2c1/C(=N/NC(=O)C(c1ccccc1)c1ccccc1)CCC2 40815435 WHJABKIDXHBHMR-IWBSIUBASA-N 495.554 5.968 50 10 JKGE Cc1ccc(C)c(NC(=O)c2oc3c(c2C)/C(=N/NC(=O)c2ccc4ccccc4n2)CCC3)c1 40825803 PBLPLKLCEVENMX-NJZRLIGZSA-N 466.541 5.476 50 10 JKGE C#CCOc1ccc(/C=N/NC(=O)COc2ccc(C3CCCCC3)cc2)cc1Br 59148737 GDQIFAANGPMZKT-WGOQTCKBSA-N 469.379 5.038 50 10 JKGE Brc1ccc([C@H](Br)c2ccc(I)cc2)s1 71102708 QFMVZJZVCVXHPT-LLVKDONJSA-N 457.956 5.600 50 10 JKGE CC(C)(C)OC(=O)N(C(=O)OCc1ccccc1)N(C(=O)OC(C)(C)C)C(=O)OC(C)(C)C 100479130 HSKLZOKSSMQGFU-UHFFFAOYSA-N 466.531 5.648 50 10 JKGE CC1=C(C#N)C(=O)N(Cc2ccccc2Cl)C(=O)/C1=C/c1ccc(-c2cccc([N+](=O)[O-])c2)o1 101340841 HPDPEVIQUWFWCK-UDWIEESQSA-N 473.872 5.301 50 10 JKGE CCOC(=O)c1c(N/C=C(\C#N)c2nc(-c3ccc(Cl)cc3)cs2)sc(C(C)=O)c1C 103644205 JESJULKCIUZMHW-XNTDXEJSSA-N 471.991 6.189 50 10 JKGE COc1ccc(C[C@@H](Br)c2cc(Br)ccc2Br)cc1OC 109844638 HTWGTJCLGFKPQX-CQSZACIVSA-N 479.006 5.908 50 10 JKGE FC(F)(F)c1ccc(C[C@@H](Br)c2ccccc2I)cc1 110302517 DFDUWQDMFIUBKW-CYBMUJFWSA-N 455.055 5.989 50 10 JKGE Cl[C@H](c1cc(Br)c(Br)s1)c1ccccc1I 128097294 HNYIXSITTBMTEV-JTQLQIEISA-N 492.401 6.206 50 10 JKGE Cc1cc(Br)c([C@@H](Br)c2ccccc2Br)cc1Br 128746162 IYCYEXIPJSZIIS-AWEZNQCLSA-N 497.850 6.767 50 10 JKGE COc1cccc(CN(C(=O)CCl)[C@H](C(=O)N[C@H]2CCCC[C@@H]2C)c2ccccc2Cl)c1 169691521 PHUKFUBRFYSRPA-OWSXEPHWSA-N 477.432 5.352 50 10 JKGE Cc1ccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)/C=C\c4ccc(C(C)(C)C)cc4)ccc32)cc1 205640542 MPIOMULAOMKZEF-DVJUNSDPSA-N 464.565 6.130 50 10 JKGE CCCCCCOc1ccc(/C=C(/C#N)C(=O)Oc2cccc(/C=C(/C#N)C(=O)OC)c2)cc1OC 206694810 RNXLKCUKJIEMQU-VMTNTFKOSA-N 488.540 5.247 50 10 JKGE CC(C)(C)c1ccc([C@@H](Br)c2cc(Br)cc(Br)c2)s1 232560680 ZDABQOJTOZUYMI-AWEZNQCLSA-N 467.064 7.055 50 10 JKGE Fc1c(Br)cccc1[C@H](Br)c1cc(Br)cc2c1OCC2 236128644 JILOMCIWPKANSK-ZDUSSCGKSA-N 464.954 5.770 50 10 JKGE CCCC(=NNC(=O)c1cc(-c2ccc(C)s2)nc2ccccc12)c1ccc(Cl)s1 252606881 GWYDUWFWJVGBIV-UHFFFAOYSA-N 454.020 6.921 50 10 JKGE CC[C@@H]1CCC[C@H](O[C@](C)(CI)c2ccccc2Br)C1 253130005 NXAIQKLSUHQCFK-JKIFEVAISA-N 451.186 6.085 50 10 JKGE O=C(C=C(Sc1ccccc1)Sc1ccccc1)N/N=C(\c1ccccc1)c1cccs1 253579413 ZPINOKGYNRNUPZ-BYCLXTJYSA-N 472.660 7.043 50 10 JKGE COc1cccc(C(C)=NNC(=O)CSc2nnc(-c3ccc(C)cc3)n2-c2ccc(C)cc2)c1 254498961 VKMZAYHCJQKMCF-UHFFFAOYSA-N 485.613 5.192 50 10 JKGE Cc1cccc(C(=O)NN=Cc2ccc(OC(=O)c3ccccc3)cc2OC(=O)c2ccccc2)c1 254867357 HHUUMASJZIANGP-UHFFFAOYSA-N 478.504 5.197 50 10 JKGE Clc1cc([C@@H](Br)c2ccc(OCc3ccccc3)cc2)sc1Br 309872523 RUEIZXFVCZWUIA-KRWDZBQOSA-N 472.629 7.227 50 10 JKGE C[C@@]1(Cn2c(CCl)nc3cc(I)ccc32)CCN(Cc2ccccc2)C1 311549381 VVEPMYIFDSCPTI-OAQYLSRUSA-N 479.793 5.292 50 10 JKGE Fc1ccc2nc(CCl)n(-c3cc(Br)ccc3I)c2c1 312376263 IYZMDBNGXZPQKJ-UHFFFAOYSA-N 465.491 5.271 50 10 JKGE ClCc1nc2cc(I)ccc2n1C[C@H]1CCCCN1Cc1ccccc1 379589513 RFPZGGGSQMZBBB-GOSISDBHSA-N 479.793 5.434 50 10 JKGE Clc1cc([C@H](Br)c2c(Cl)cccc2Cl)c(Cl)c(Cl)c1Cl 404639663 BXXJIZHNMARKJY-JTQLQIEISA-N 453.805 8.091 50 10 JKGE Clc1cc([C@@H](Br)c2cscc2Br)sc1Br 404783840 DNAZHUFECJJINV-QMMMGPOBSA-N 451.430 6.472 50 10 JKGE O=C(CSc1nc2ccccc2o1)NN=Cc1cccc(OCc2cccc3ccccc23)c1 1084058445 OGCSUNUGQFWXEC-UHFFFAOYSA-N 467.550 5.802 50 10 JKGE CCOc1cc(/C=C(\C#N)C(=O)N(C)C)cc(Br)c1OCc1cccc2ccccc12 1084237808 WRWRGVWFIXYXLB-UDWIEESQSA-N 479.374 5.575 50 10 JKGE COc1cc(/C=C(/C#N)C(=O)Nc2cc(C)ccc2C)ccc1OCc1ccc(Cl)c(Cl)c1 1084271587 BBBTXXFKMCACMG-JAIQZWGSSA-N 481.379 6.744 50 10 JKGE Cc1cc(C=NNC(=O)c2cc3cc(Br)ccc3o2)c(C)n1-c1cccc(F)c1 1084448151 GKBJYQGNGJZJQE-UHFFFAOYSA-N 454.299 5.506 50 10 JKGE O=C(NN=C(CSc1nc2ccccc2[nH]1)c1ccc(-c2ccccc2)cc1)c1ccccc1O 1084449900 XRKKLPKVZFEJCL-UHFFFAOYSA-N 478.577 5.862 50 10 JKGE CC(C)(C)OC(=O)N1CC[C@@H](c2ccc(F)c(C(=O)O)c2)[C@@H](CO[Si](C)(C)C(C)(C)C)C1 1615773598 AQONPKQJLXOCGJ-MSOLQXFVSA-N 467.654 5.886 50 10 JKGE COc1cccc(C(=O)NN=C2CCCc3oc(C(=O)Oc4ccc5ccccc5c4)c(C)c32)c1 1772750261 YFCYTENRKDGDMG-UHFFFAOYSA-N 468.509 5.439 50 10 JKGE N#CSc1ccc(NC(=O)c2cccc(NC(=O)/C=C/c3ccc(Cl)cc3Cl)n2)cc1 1860562637 CFVSNYBYNPUBCV-VZUCSPMQSA-N 469.353 5.866 50 10 JKGE Cc1nn(Cc2ccc(F)cc2)c2c1[C@@H](c1ccc(OCc3ccccc3)cc1)C(C#N)=C(N)O2 1865689875 FNAPXYFXFSRCHR-SANMLTNESA-N 466.516 5.176 50 10 JKGE CCCCOc1ccc([C@H]2C(C#N)=C(N)Oc3c2c(CC)nn3Cc2cccc(Cl)c2)cc1 1865690383 PWBKQAHXGBIUSU-QHCPKHFHSA-N 462.981 5.544 50 10 JKGE N#CC1=C(N)Oc2c(c(C(F)(F)F)nn2Cc2ccc(Cl)c(Cl)c2)[C@H]1c1ccc(F)cc1 1865708042 MODFXTNJGWQIEK-INIZCTEOSA-N 483.252 5.614 50 10 JKGE CC(C)(C)[C@@H]1CCc2c(sc(NC(=O)/C(C#N)=C/c3ccc(Br)cc3)c2C(N)=O)C1 1866129229 IYQXDXHZLNMRCP-YVGNARHYSA-N 486.435 5.306 50 10 JKGE CCOc1cc(/C=C(\C#N)c2nc(O)c3ccccc3n2)ccc1OCc1c(Cl)cccc1Cl 1872726810 NBQLNLSQNBKTKD-SFQUDFHCSA-N 492.362 6.684 50 10 JKGE CC(C)OC(=O)c1ccc(/C(C#N)=C/c2ccccc2OCc2ccc(Br)cc2)o1 1872728473 DNMZZNIMYXPPPE-CPNJWEJPSA-N 466.331 6.250 50 10 JKGE COc1cccc(/C=C(\C#N)c2ccccc2[N+](=O)[O-])c1OCc1c(Cl)cccc1Cl 1872729671 YLDJYNUBOZWEAW-FOWTUZBSSA-N 455.297 6.553 50 10 JKGE CC(C)[C@@H](/C(O)=C(\C#N)c1nc(-c2ccc(Cl)cc2)cs1)N1C(=O)c2ccccc2C1=O 1872748100 IMILTTFUTBLBFP-HUZQBFDWSA-N 463.946 5.577 50 10 JKGE N#C/C(=C(O)\C(=C/c1ccccc1)c1ccccc1)c1nc(-c2ccc(Cl)c(Cl)c2)cs1 1872748884 QZRPSLJMONKWFH-PFSSCRSKSA-N 475.400 8.150 50 10 JKGE N#C/C(=C(/O)CCCOc1ccc(Cl)cc1)c1nc(-c2ccc(Cl)c(Cl)c2)cs1 1872749141 CQOCKJFAWUUSKH-SILNSSARSA-N 465.789 7.422 50 10 JKGE COc1cc(C)c(-c2csc(/C(C#N)=C(\O)Cc3ccc(Br)cc3)n2)cc1C 1872758188 OTJHGGUUNAWSIU-ZZEZOPTASA-N 455.377 6.233 50 10 JKGE COc1ccc(-c2csc(/C(C#N)=C(\O)[C@@H]3CC(=O)N([C@@H](C)c4ccccc4)C3)n2)c2ccccc12 1872758794 QRQCLHSSSLMYIV-BLSQDZEOSA-N 495.604 6.374 50 10 JKGE CC(C)(C)[C@H](Br)CCc1ccc(I)c(Br)c1 1904326613 HXESWRQNWPKMLO-GFCCVEGCSA-N 459.991 5.796 50 10 JKGE C[C@@H]1CCN(Cc2ccccc2)C[C@@H]1n1c(CCl)nc2c(Br)cc(F)cc21 1912653026 JHQQNODOOFOZQV-KUHUBIRLSA-N 450.783 5.760 50 10 JKGE C[C@@H](Cl)CN(Cc1ccccc1)C(=O)c1ccc(I)c(Br)c1 1914613206 OGJDTBMZVNHICD-GFCCVEGCSA-N 492.582 5.323 50 10 JKGE C[C@H](CCBr)N(Cc1ccccc1)S(=O)(=O)c1ccc(Cl)cc1C(F)(F)F 1915108925 CTRQKLZETZSZAC-CYBMUJFWSA-N 484.765 5.723 50 10 JKGE Cc1c(Br)sc([C@@H](Br)C2(C(C)(F)F)CC2)c1Br 1922907919 ZSHAVRXDIFLAHI-MRVPVSSYSA-N 452.984 6.453 50 10 JKGE Fc1cc(Cl)cc([C@@H](Br)c2sc(Br)cc2Br)c1 1922912752 QGVKWHQGOROVNH-SNVBAGLBSA-N 463.391 6.550 50 10 JKGE Cc1c(Br)sc([C@H](Br)c2ccc3c(c2)CCCC3)c1Br 1922935025 LYYPEMLBMCTYBA-CQSZACIVSA-N 479.075 6.945 50 10 JKGE Cc1c(Br)sc([C@H](Br)c2ccc(F)c(F)c2)c1Br 1922955290 YBCAMKITVSRYRE-SNVBAGLBSA-N 460.963 6.344 50 10 JKGE C[C@@H]1CCN(Cc2ccccc2)CCN1c1ccc(CBr)cc1Br 1947748545 BTXAGVTXDRSDMQ-MRXNPFEDSA-N 452.234 5.445 50 10 JKGE Cc1cc(Br)sc1[C@@H](Br)c1cccc(Br)c1Cl 1950207487 HLKSGHYBSRHHKT-JTQLQIEISA-N 459.428 6.719 50 10 JKGE COCC1([C@@H](Br)c2c(Br)sc(Br)c2Cl)CCC1 1951243884 MNRDGSCIOFNKFS-QMMMGPOBSA-N 467.448 6.179 50 10 JKGE Fc1ccc(C[C@@H](Br)c2csc(Br)c2Br)c(F)c1 2032953344 HULFPGQDUQEYGS-SECBINFHSA-N 460.963 6.230 50 10 JKGE C[C@H]1CCc2c(sc3nc(C(C#N)=Cc4ccc(-c5cc(Cl)ccc5Cl)o4)nc(O)c23)C1 2040445947 AYFVIBSMKQJBSS-LBPRGKRZSA-N 482.392 7.153 50 10 JKGE Clc1ccc([C@@H](Br)Cc2c(Br)cccc2Br)cc1 2050571640 NVFSFDQUBZJXMO-AWEZNQCLSA-N 453.399 6.544 50 10 JKGE Cn1cc([C@H](Br)c2cc(Br)c(Cl)cc2F)c(Br)n1 2052977898 ZPWXOVOJZGHYAD-SNVBAGLBSA-N 461.354 5.222 50 10 JKGE Cc1c(Br)sc([C@H](Br)[C@H]2OCCOC2(C)C)c1Br 2066673984 IPQAFAAJWCZIFJ-WCBMZHEXSA-N 463.029 5.212 50 10 JKGE COc1cc(F)c([C@@H](Br)c2nscc2Br)cc1Br 2082787451 KYJATODCYHSMHN-SNVBAGLBSA-N 459.960 5.300 50 10 JKGE O=C(c1csc(Br)c1Br)N1CCC(CCCBr)CC1 2093942670 XWMMSAHUBKOFCY-UHFFFAOYSA-N 474.056 5.300 50 10 JKGE CN(Cc1cc(Br)cs1)c1c(CBr)ccc(Br)c1Cl 2098117489 PDGQVWQCJFCTHK-UHFFFAOYSA-N 488.470 6.458 50 10 JKGE Fc1cccc([C@@H](Br)CCc2cc(Cl)ccc2I)c1 2113385447 XGOGYTFRHGCRQU-AWEZNQCLSA-N 453.520 6.153 50 10 JKGE CCCc1nc(C[C@H](Br)c2ccccc2Br)c(Br)[nH]1 2113442521 RWXYGBCDEHYXRU-NSHDSACASA-N 451.000 5.566 50 10 JKGE COCc1ccc([C@@H](Br)c2c(Br)sc(Br)c2Cl)cc1 2134742646 SUCJHUYVENWTSI-SNVBAGLBSA-N 489.454 6.557 50 10 JKGE CCN(C[C@](C)(CI)OC[C@H]1C[C@@H]1C1CCCCC1)C(=O)OC(C)(C)C 2135790377 QNMZSRIJVKPPNT-OPYAIIAOSA-N 479.443 5.670 50 10 JKGE COc1cc(Cl)c([C@@H](Br)c2cn(C)c(Br)n2)cc1Br 2137644986 HJAZPTLMJJNTQU-LLVKDONJSA-N 473.390 5.091 50 10 JKGE COc1ccc([C@H](Br)c2cccc(OCc3ccccc3)c2)c(Cl)c1Cl 2138628660 VOJVZMHJXHHZMN-LJQANCHMSA-N 452.175 7.065 50 10 JKGE Cc1c(Br)ccc([C@@H](Br)[C@@H]2CCCCC2(F)F)c1Br 2138849604 FLUYOEMZOLXRMR-GXFFZTMASA-N 460.982 6.782 50 10 JKGE Cc1c(Br)cc2c(c1Br)CC[C@H](C(F)(F)F)C[C@@H]2Br 2138864462 KXEVKDRMEGJRMA-CPCISQLKSA-N 464.945 6.471 50 10 JKGE C[C@@H]1Cc2cc([C@H](Br)c3scc(Cl)c3Cl)cc(Br)c2O1 2152528471 VJWFPJLKSRLRMR-KBUNVGBDSA-N 457.014 6.625 50 10 JKGE CN(C[C@@H](Br)C1CCCCC1)C(=O)c1cc(Br)sc1Br 2167650720 ACKIRKXVKWHYSV-LLVKDONJSA-N 488.083 5.689 50 10 JKGE COc1cc(Cl)c([C@H](Cl)c2ccc(Cl)c(Br)c2)cc1Br 2202343220 DYGNHUSOYKKGIE-CQSZACIVSA-N 459.392 6.855 50 10 JKGE CCn1ncc(Br)c1[C@H](Br)c1cc(Br)c(OC)cc1Cl 2202364940 NRLBFBMZNCBVOB-GFCCVEGCSA-N 487.417 5.574 50 10 JKGE Cc1nn(C)c2sc([C@H](Br)c3ccc(Br)cc3Br)cc12 2203706646 RYCHIOCINPDQOP-CYBMUJFWSA-N 479.035 5.953 50 10 JKGE Cc1cc(Br)c([C@H](Br)C2C3(CCC3)C23CCC3)cc1Br 2203989719 SKMSKCKCPBULME-AWEZNQCLSA-N 463.051 6.926 50 10 JKGE Cc1cc([C@H](Cl)c2cc(Br)c(Br)s2)cc(C)c1Br 2220200721 XFEQGPATKAADSH-LBPRGKRZSA-N 473.455 6.981 50 10 JKGE CC(C)(C)OC(=O)N1CCC(CI)(O[C@@H]2CCC[C@H](C(F)(F)F)C2)CC1 2231395919 ZWTYXQKFXGLZAS-UONOGXRCSA-N 491.332 5.329 50 10 JKGE COc1cccc(C[C@@H](Br)c2cc(Br)c(Br)cc2F)c1 2233976661 PXUWEDDEDKVCPV-GFCCVEGCSA-N 466.970 6.038 50 10 JKGE Cc1cc([C@H](Br)Cc2ccc(Br)cc2Cl)cc(C)c1Br 2237449840 AVOVIUBYGBMWPL-CQSZACIVSA-N 481.453 7.161 50 10 JKGE Cc1nscc1C[C@H](Br)c1cc(Br)ccc1I 2246949254 BWLSXJWIIUHELR-NSHDSACASA-N 486.998 5.497 50 10 JKGE CCc1sc(Br)cc1[C@@H](Br)c1cccc(Cl)c1Br 2256135896 IKWOHJJDCLHVKW-LBPRGKRZSA-N 473.455 6.973 50 10 JKGE Cc1cc(Br)c([C@@H](Cl)c2cocc2Br)c(C)c1Br 2258145945 BIVDOQSJXJCPSJ-ZDUSSCGKSA-N 457.387 6.512 50 10 JKGE CC(C)(C)OC(=O)N1CCC(CI)(OCC[C@H]2CCCCC23CC3)CC1 2264865512 QUOURWXDHRWLAJ-QGZVFWFLSA-N 477.427 5.568 50 10 JKGE CN(Cc1ccc(I)cc1)c1cc(Cl)ccc1CBr 2265604777 WOKJSCDWSXQRNE-UHFFFAOYSA-N 450.545 5.476 50 10 JKGE Cc1c(CBr)cccc1NC(=O)c1cc(Br)c(Br)s1 2268262088 QABOWGJZPDPYMZ-UHFFFAOYSA-N 468.008 5.729 50 10 JKGE CCN[C@H](c1c(F)cc(Br)c(F)c1Br)[C@H]1C[C@@H](Br)C1 2272748757 YYEANLVRNNMZMP-NFNXHLSSSA-N 461.970 5.314 50 10 JKGE C[C@@H]1CCCC[C@H]1[C@@H](Br)c1c(F)cc(Br)c(F)c1Br 2272854019 CRJASKSHJPXUMG-DNSOKLHBSA-N 460.982 6.752 50 10 JKGE COc1cc(Cl)c(Cl)cc1[C@H](Br)c1ccc(C)c(I)c1 2279048908 ZCOOVFYZYTUDPL-OAHLLOKOSA-N 485.974 6.399 50 10 JKGE Fc1cc(Br)ccc1COc1c(CBr)ccc(Br)c1Cl 2281408058 HYUVVVYMPLNGMV-UHFFFAOYSA-N 487.388 6.478 50 10 JKGE CCn1ncc(Br)c1[C@H](Br)c1ccc(OC)c(Cl)c1Br 2283564736 ZWHAHXRITNNGRY-LLVKDONJSA-N 487.417 5.574 50 10 JKGE Clc1ccc([C@@H](Br)Cc2nc3ccccc3s2)cc1I 2283581588 HUTLBDKETFRLLN-JTQLQIEISA-N 478.580 6.233 50 10 JKGE Fc1cc(Br)c(F)c(Br)c1[C@H](Cl)c1cccc(Br)c1F 2288496325 GJJJWMTZDCROAM-LLVKDONJSA-N 493.342 6.720 50 10 JKGE CCOC(=O)c1c(NC(=O)C(C#N)=Cc2ccccc2OC)sc(C)c1-c1ccc(Cl)cc1 2293198412 JXNJZKXKBWNJNS-UHFFFAOYSA-N 480.973 6.108 50 10 JKGE Cc1cc(-n2c(C)cc(C=C(C#N)c3nc4ccccc4[nH]3)c2C)ccc1I 2294253403 NQAVKFGUPCXQPE-UHFFFAOYSA-N 478.337 5.948 50 10 JKGE N#CC(=CC=C(Cl)c1ccc(Br)cc1)c1nc(-c2ccc(Cl)cc2Cl)cs1 2297321079 DTHCXABGGLIZDZ-UHFFFAOYSA-N 496.644 8.066 50 10 JKGE Cc1cc([N+](=O)[O-])ccc1NC(=O)C(C#N)=Cc1ccc(OCc2ccccc2)c(Br)c1 2297551612 UOKFIBSFBHGAQF-UHFFFAOYSA-N 492.329 5.790 50 10 JKGE CC(F)(F)C(C)(C)[C@H](Br)c1ccc(OCc2ccccc2)cc1Br 2299504566 OHJNOYWSDLRPMW-QGZVFWFLSA-N 462.172 7.146 50 10 JKGE Cc1c(Cl)sc(Cl)c1[C@H](Br)c1csc(Br)c1Br 2299547254 JJTVOECDSMJQJD-ZCFIWIBFSA-N 499.902 7.434 50 10 JKGE CC(C)C(CBr)(CBr)Cc1cc(I)ccc1Cl 2307331128 VAANTJIKGQYDAT-UHFFFAOYSA-N 494.436 5.919 50 10 JKGE COc1cc(C=C(C#N)C(=O)N(C)C)c(Br)cc1OCc1ccc(Cl)c(Cl)c1 2313567590 IMALPNXHYCMOTE-UHFFFAOYSA-N 484.177 5.339 50 10 JKGE CCc1ccc(NC(=O)C(C#N)=Cc2cn(Cc3ccc(Cl)c(Cl)c3)c3ccccc23)cc1 2313670669 OEZIOOWAAGMEKE-UHFFFAOYSA-N 474.391 7.104 50 10 JKGE CCOc1cc(C=C(C#N)C(=O)NCc2ccc(OC)cc2)ccc1OCc1ccc(C)cc1 2313683485 PDSQUYXLJCZIDM-UHFFFAOYSA-N 456.542 5.205 50 10 JKGE COc1cc(C=C(C#N)C(=O)Nc2cccc([N+](=O)[O-])c2)ccc1OC(=O)c1ccc(Cl)cc1 2313738658 NAXXVSKCUVFIOZ-UHFFFAOYSA-N 477.860 5.022 50 10 JKGE Fc1cc(Cl)c(Br)c(Cl)c1[C@@H](Br)c1ccoc1Br 2313744568 OXODOBYUNNGIIU-QMMMGPOBSA-N 481.768 6.735 50 10 JKGE CCc1ccc(N2C(=O)[C@H](Cc3ccccc3C)SC2=C(C#N)C(=O)Nc2ccc(C)cc2)cc1 2314592010 JOVWXLPXLPQYOD-SANMLTNESA-N 481.621 5.931 50 10 JKGE Cc1sc([C@H](Cl)c2c(Br)c(Br)nn2C)c(Br)c1C 2316709202 JDCBWTYMRMUFOD-MRVPVSSYSA-N 477.447 5.714 50 10 JKGE Clc1cc(I)c([C@H](Br)c2cc3c(s2)CCSC3)s1 2316774744 LVQQFKBBUGDHOH-LLVKDONJSA-N 491.666 6.341 50 10 JKGE COC1(C(F)F)CC([C@H](Br)c2sc(Br)cc2Br)C1 2320065958 WOZJHSBFBPKIKG-QHCBANEHSA-N 468.983 5.769 50 10 JKGE COc1ccc(OC)c(NC(=O)C(C#N)=CNc2ccc(-c3nc4ccc(C)cc4s3)cc2)c1 2325161869 NOCWHTQTQVCQQO-UHFFFAOYSA-N 470.554 5.747 50 10 JKGE CC(C)C[C@H](NC(=O)OC(C)(C)C)C(=O)NN=Cc1c(OCc2ccccc2)ccc2ccccc12 2328824682 SSXPPZWDYNYOGK-VWLOTQADSA-N 489.616 5.808 50 10 JKGE FC1(F)CCC[C@@H]2[C@@H]([C@H](Br)c3c(Cl)sc(Br)c3Cl)[C@@H]21 2330159607 CDTSJXOUTOKJHK-APOSLCTFSA-N 454.989 6.935 50 10 JKGE CC(=Cc1cccc(Cl)c1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)Nc1ccc(SC#N)cc1 2330507562 ZQXGFFGXDPDYAK-DEOSSOPVSA-N 492.000 5.388 50 10 JKGE COc1ccc(-c2csc(C(C#N)=C(O)CCCCCNC(=O)c3ccccc3)n2)cc1C 2331259963 ZQDZQXSVOKGNCY-UHFFFAOYSA-N 461.587 5.910 50 10 JKGE CCc1cccc(CC)c1N1C[C@@H](C(O)=C(C#N)c2nc(-c3c(C)c(C)cc(C)c3C)cs2)CC1=O 2331364411 BXEYCZJCDGHDOS-QHCPKHFHSA-N 499.680 7.014 50 10 JKGE Cc1ccc(COc2ccc(C=C(C#N)c3nc(-c4ccc(Cl)cc4Cl)cs3)cc2)cc1 2331421866 YGOIMTXNJFGCIY-UHFFFAOYSA-N 477.416 8.069 50 10 JKGE COc1cc(F)ccc1[C@@H](Br)c1ccc(OCc2ccccc2)cc1Br 2336083659 LUASUZIZQWOUJS-NRFANRHFSA-N 480.171 6.660 50 10 JKGE CC(C)(C1CCCCC1)[C@@H](Br)c1ccc(OCc2ccccc2)cc1Br 2336085299 BHPADVGPRBHJSR-QFIPXVFZSA-N 480.284 8.071 50 10 JKGE COc1c(Br)cc(C)c([C@@H](Cl)c2ccoc2Br)c1Br 2339638489 BFJNIBPUAOSOOS-NSHDSACASA-N 473.386 6.212 50 10 JKGE Cc1cc(Br)c(F)c(Br)c1[C@H](Br)[C@H]1CCCC1(F)F 2339646872 VWWCQPXPRZHHNV-GMSGAONNSA-N 464.945 6.531 50 10 JKGE Cc1cc(Br)c(F)c(Br)c1[C@@H](Br)CC1CC(F)(F)C1 2339683477 DIMKZMTWQLGHOM-QMMMGPOBSA-N 464.945 6.531 50 10 JKGE CN(Cc1c(Br)cccc1Br)CC1(CBr)CC(F)C1 2340637586 SICKXYDPHHGPNA-UHFFFAOYSA-N 458.007 5.157 50 10 JKGE CCc1cc(Br)c(OC)c([C@H](Br)c2cscc2OCc2ccccc2)c1 2353045851 XUSDEZXTEWBXAQ-FQEVSTJZSA-N 496.264 7.145 50 10 JKGE FCCOc1ccccc1[C@@H](Br)c1ccc(OCc2ccccc2)cc1Br 2361200763 MLFBDYTWDGTKNQ-QFIPXVFZSA-N 494.198 6.861 50 10 JKGE Fc1c(Br)cc(Cl)c([C@H](Br)C23CCC(F)(CC2)C3)c1Br 2362234760 IRCXRTSWSWDUJJ-HSBZDZAISA-N 493.411 7.113 50 10 JKGE COc1cscc1[C@@H](Br)c1c(C)cc(Br)c(OC)c1Br 2365215264 IMNYICIBHNEDRV-GFCCVEGCSA-N 485.035 6.083 50 10 JKGE CSc1ccc(/C=N/NC(=O)c2ccccc2NC(=O)c2ccc(Cl)c(Cl)c2)cc1 20275273 QUQOHOVXLWTITK-DHRITJCHSA-N 458.370 5.732 50 10 JKGE CCOC(=O)/C(C#N)=C\c1cn(-c2ccccc2)nc1-c1ccc(OCc2ccccc2F)cc1 33375100 IVIVKKRLUSTLMI-JWGURIENSA-N 467.500 5.727 50 10 JKGE CCCCCN1C(=O)C(C#N)=C(C)/C(=C\c2ccc(OCc3ccc(C)cc3)c(OCC)c2)C1=O 38603968 BENZAYRGQOTGCA-LFVJCYFKSA-N 472.585 5.755 50 10 JKGE C[C@H](Oc1ccc(F)cc1)C(=O)Oc1ccc2c(c1)OC(N)=C(C#N)[C@@H]2c1ccc(C(C)(C)C)cc1 38649803 CNRYWLZCXOFBAW-MRDQGFSESA-N 486.543 5.714 50 10 JKGE CCCOc1ccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4ccc(Cl)cc4Cl)ccc32)cc1 38650635 ONYNBFAEICAJKX-XMMPIXPASA-N 495.362 6.220 50 10 JKGE N#CC1=C(N)Oc2cc(OC(=O)c3ccccc3F)ccc2[C@H]1c1c(Cl)cccc1Cl 38679950 BMAGYJXYDYVXCM-HXUWFJFHSA-N 455.272 5.570 50 10 JKGE Cc1ccccc1Oc1nc2ccccn2c(=O)c1/C=C(/C#N)C(=O)Nc1cccc(Cl)c1Cl 39858886 OOAFJIUBCXKIGL-SSZFMOIBSA-N 491.334 5.648 50 10 JKGE COc1ccccc1C(=O)N/N=C1\CCCc2oc(C(=O)Oc3cccc4ccc(C)nc34)c(C)c21 40813221 CFNZFGSPOUQAQR-TWKHWXDSSA-N 483.524 5.143 50 10 JKGE Cc1c(C(=O)Nc2ccccc2C(F)(F)F)oc2c1/C(=N/NC(=O)COc1ccccc1)CCC2 40816038 NPMLAKBEFWSQBW-NDZAJKAJSA-N 485.462 5.095 50 10 JKGE Cc1c(C(=O)N2CCC(C)CC2)oc2c1/C(=N/NC(=O)COc1ccc(Cl)cc1Cl)CCC2 40816262 XGOXODMAGMQERV-OVVQPSECSA-N 492.403 5.003 50 10 JKGE COc1cc(/C=N/NC(=O)COc2ccc(C(C)(C)CC(C)(C)C)cc2)cc(Br)c1O 40846959 ZFIVQZGTGCHKOI-LGJNPRDNSA-N 491.426 5.406 50 10 JKGE COc1cc(/C=N/NC(=O)COc2ccc(Cl)cc2C)ccc1OCc1ccccc1C 40911563 BOIPPWVLUKPKIO-MZJWZYIUSA-N 452.938 5.074 50 10 JKGE CC(C)COc1ccc(-c2nn(-c3ccccc3)cc2/C=C(/C#N)c2nc3ccccc3[nH]2)cc1 50647530 DOJMTRBBKWJDQT-JWGURIENSA-N 459.553 6.515 50 10 JKGE C=CCc1cc(/C=N/NC(=O)c2cc3ccccc3o2)ccc1OCc1ccc([N+](=O)[O-])cc1 59303616 XWTVZLCYTJDFDW-JVWAILMASA-N 455.470 5.412 50 10 JKGE COc1ccc(/C=C(/C#N)C(=O)N[C@H](C)c2ccccc2)cc1COc1cccc(C(F)(F)F)c1 96438663 CRLJZWIJYHNCIP-LZAZYHHXSA-N 480.486 6.077 50 10 JKGE Cc1ccc(N/C=C(\C#N)c2nc(-c3cc4cc([N+](=O)[O-])ccc4oc3=O)cs2)cc1Cl 100106674 HPDLIYGSHPIFPD-GXDHUFHOSA-N 464.890 5.763 50 10 JKGE CCCCCCCOc1ccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4ccc(C)cc4)ccc32)cc1 101377598 LSQNKNZJVHOKPG-GDLZYMKVSA-N 496.607 6.782 50 10 JKGE Clc1ccc(CC(CBr)(CBr)Cc2ccccc2)cc1Cl 118875658 KQCJWGAWUZZOJB-UHFFFAOYSA-N 451.029 6.555 50 10 JKGE Cc1cc([C@H](Br)c2cc(Cl)c(Br)s2)sc1Br 127567172 QXGWVOGTLZANJB-QMMMGPOBSA-N 465.457 6.781 50 10 JKGE COc1c(Cl)cc(/C=C(/C#N)c2nc(-c3ccc(Cl)cc3)cs2)c(OC)c1Cl 169939779 ATDLKEDLNZLXBL-QPEQYQDCSA-N 451.762 6.852 50 10 JKGE CCCCCCCOc1ccc(/C=C2\C(=O)N(CCCOCC)C(=O)C(C#N)=C2C)cc1OCC 214301617 UIMHRIQEMDZXLR-NKFKGCMQSA-N 482.621 5.453 50 10 JKGE N#C/C(=C/Nc1cccc(Cl)c1Cl)C(=O)N1CCN(C(c2ccccc2)c2ccccc2)CC1 216487139 LZAALAJBIQXMQW-QOCHGBHMSA-N 491.422 5.747 50 10 JKGE COc1ccc([C@@H](Br)c2cccc(Br)c2C)c(OC)c1Br 224856372 XCTPZWOJLQZQHQ-AWEZNQCLSA-N 479.006 6.022 50 10 JKGE Brc1ccc(I)c([C@@H](Br)c2ccc3c(c2)CCC3)c1 232484247 XNGKYMLRMYUKPZ-INIZCTEOSA-N 491.992 6.027 50 10 JKGE COc1ccc([C@@H](Br)c2cc(Br)cc(Br)c2)cc1Cl 234971282 QVDGNKORNJGDFF-CQSZACIVSA-N 469.398 6.358 50 10 JKGE Clc1ccc(I)c([C@@H](Br)c2ccc(Br)cc2)c1 236069148 FTGOSBCNEHFAEC-ZDUSSCGKSA-N 486.372 6.191 50 10 JKGE COc1ccc(N(C(=O)CCl)[C@H](C(=O)N[C@@H]2CCCC[C@H]2C)c2ccc(Cl)cc2)c(OC)c1 252585873 LVEFNMRRDZWWRR-MYRUOYEDSA-N 493.431 5.365 50 10 JKGE CCOc1ccc(C(=O)Oc2ccc(C=NNC(=O)COc3cc(C)ccc3C(C)C)cc2)cc1 254577786 KSWHPJOSQYGHCQ-UHFFFAOYSA-N 474.557 5.265 50 10 JKGE O=C(CSc1nc2ccccc2s1)NN=Cc1cn(-c2ccccc2)nc1-c1ccccc1 254840348 IVMWSDNCWBVGPU-UHFFFAOYSA-N 469.595 5.391 50 10 JKGE O=C(CSc1nnc(SCc2cccc3ccccc23)s1)NN=Cc1cccs1 254905341 VBLHJTPRPPTLOH-UHFFFAOYSA-N 456.643 5.288 50 10 JKGE CCOC(=O)c1c(NC(=O)[C@@]23CC[C@@](C)([C@H]2Br)C3(C)C)sc2c1CCCC2 256019763 CSJZIWOBRHVZRV-JRGCBEDISA-N 454.430 5.332 50 10 JKGE O=C(Nc1cc(I)ccc1Br)c1ccc(CCl)cc1 306017624 SVBXBYXGEQXULI-UHFFFAOYSA-N 450.501 5.045 50 10 JKGE Brc1ccc([C@H]2CCC[C@@H](CI)O2)cc1Br 309465677 SQUVSWXNGHWTET-JOYOIKCWSA-N 459.947 5.257 50 10 JKGE C[C@@H](Br)C[C@H]1CCCCCN1C(=O)c1cc(Br)sc1Br 380082901 BEEYQOXDLCYIGO-NXEZZACHSA-N 488.083 5.831 50 10 JKGE ClCc1nc2cc(I)ccc2n1[C@@H]1CC[C@@H]2CN(Cc3ccccc3)C[C@H]21 380747324 MYLKBGYREZYDPV-YVWKXTFCSA-N 491.804 5.463 50 10 JKGE Cc1cccc([C@@H]2CN(C(=O)OCc3ccccc3)C[C@H]2CBr)c1Br 382722876 OKUHFQXVUDVBDD-SJLPKXTDSA-N 467.201 5.505 50 10 JKGE COc1cc2c(cc1F)nc(CCCl)n2CCCN(Cc1ccccc1)Cc1ccccc1 390509438 YKYQNGCAQRSRTC-UHFFFAOYSA-N 466.000 6.058 50 10 JKGE C[C@@H](Cl)c1nc2cc(Br)c(F)cc2n1C[C@@H]1CCCN1Cc1ccccc1 390549076 WVGFXPUFGZWAOW-ZBFHGGJFSA-N 450.783 5.902 50 10 JKGE ClCCc1nc2c(Br)cccc2n1CCCOCCOCc1ccccc1 390608139 DHEJMADUGNPVKW-UHFFFAOYSA-N 451.792 5.204 50 10 JKGE CC(C)(C)[Si](C)(C)OCCc1ccc([C@@H]2CCN(CCO[Si](C)(C)C(C)(C)C)C2)cc1 616626783 XEKFPXVERQAOPQ-XMMPIXPASA-N 463.855 7.062 50 10 JKGE Cc1ccc(Br)cc1[C@@H](Br)c1ccc(F)c(Br)c1F 691638220 YLCJYNIZPRYSQV-LBPRGKRZSA-N 454.934 6.283 50 10 JKGE Fc1ccc([C@@H](Br)Cc2ccc(Br)cc2F)cc1Br 692783802 DMVZXISPWWMAAB-NSHDSACASA-N 454.934 6.169 50 10 JKGE CCCc1ccc([C@@H](Br)c2scc(Br)c2Br)cc1 705423715 FIDPWCVBHXIHQP-GFCCVEGCSA-N 453.037 6.710 50 10 JKGE C[C@@H](Cl)c1nc2ccc(F)cc2n1CC1(N(Cc2ccccc2)Cc2ccccc2)COC1 705783957 UNZLJHBTTLNIGJ-HXUWFJFHSA-N 463.984 5.947 50 10 JKGE ClCc1nc2cncc(Cl)c2n1CC1(N(Cc2ccccc2)Cc2ccccc2)COC1 705868961 GWWXYOFWIJAXJE-UHFFFAOYSA-N 467.400 5.295 50 10 JKGE BrCc1cc(Br)c(OCC[C@H]2C[C@H]2C2CC2)c(Br)c1 714877908 JXVKPSRETZHITD-RYUDHWBXSA-N 453.012 5.922 50 10 JKGE BrC[C@@H](Cc1cccc(Br)c1)Cc1sncc1Br 719830571 QAOJFHVRLJOXEA-JTQLQIEISA-N 454.025 5.464 50 10 JKGE COc1cc(C=NNC(=O)c2ccc(C(C)(C)C)cc2)ccc1OCc1ccccc1Cl 1083906489 JJUZRNSLMAPHGB-UHFFFAOYSA-N 450.966 5.989 50 10 JKGE CC(C)Cc1ccc([C@@H](C)C(=O)NN=Cc2ccccc2OCc2ccc(C(=O)O)cc2)cc1 1084028684 JRORSYXUUQRGDZ-HXUWFJFHSA-N 458.558 5.416 50 10 JKGE Cc1cc(C=NNC(=O)COc2ccc(Cl)cc2Cl)c(C)n1-c1cccc(Cl)c1 1084029305 BSKLVXJGWLAZAM-UHFFFAOYSA-N 450.753 5.583 50 10 JKGE N#CC1=C(N)Oc2c(c(C(F)(F)F)nn2Cc2cccc(F)c2)[C@@H]1c1cccc2ccccc12 1865682583 RXIYOHOOZICNJM-HXUWFJFHSA-N 464.422 5.461 50 10 JKGE COc1ccc(-c2nn(-c3ccc(Cl)cc3)c3c2[C@@H](c2cccc(Cl)c2)C(C#N)=C(N)O3)cc1 1865684470 YXPQFEBELGQFGO-QFIPXVFZSA-N 489.362 6.073 50 10 JKGE CCCc1nn(-c2ccccn2)c2c1[C@@H](c1ccc(OCc3ccccc3)c(OC)c1)C(C#N)=C(N)O2 1865687601 VQOZAKSIOWKMCA-SANMLTNESA-N 493.567 5.026 50 10 JKGE CCCn1nc(C(F)(F)F)c2c1OC(N)=C(C#N)[C@@H]2c1ccc(OCCc2ccccc2)c(OC)c1 1865688024 GSPMDYVMLBTQJX-NRFANRHFSA-N 498.505 5.160 50 10 JKGE CCCc1nn(-c2ccc(Cl)cc2)c2c1[C@H](c1ccc(OCC)c(OCC)c1)C(C#N)=C(N)O2 1865688768 AEOYIIOOJUEXNI-HSZRJFAPSA-N 478.980 5.494 50 10 JKGE CCOc1ccc([C@@H]2C(C#N)=C(N)Oc3c2c(-c2ccc(OC)cc2)nn3-c2ccc(OC)cc2)cc1 1865692618 DJWOBIAMSQBEDZ-RUZDIDTESA-N 494.551 5.173 50 10 JKGE Cc1ccc(COc2ccc([C@H]3C(C#N)=C(N)Oc4c3c(C)nn4Cc3ccccc3)cc2)cc1 1865692815 IZAXJQBOPYLSIR-MHZLTWQESA-N 462.553 5.345 50 10 JKGE CCc1nn(-c2ccc(OC)cc2)c2c1[C@H](c1ccc(OCc3ccccc3C)cc1)C(C#N)=C(N)O2 1865703394 VCIXTKNYYYHJKM-HHHXNRCGSA-N 492.579 5.549 50 10 JKGE Cc1ccc(Cn2nc(C(F)(F)F)c3c2OC(N)=C(C#N)[C@H]3c2ccc(Cl)c([N+](=O)[O-])c2)cc1 1865706307 SQMXYCLWPYLLQN-QGZVFWFLSA-N 489.841 5.038 50 10 JKGE COc1ccc(-c2nn(Cc3ccc(C)cc3)c3c2[C@@H](c2ccccc2OC)C(C#N)=C(N)O3)cc1 1865710471 YUVIQLCJEDLZBI-VWLOTQADSA-N 478.552 5.142 50 10 JKGE Cc1cccc([C@@H]2C(C#N)=C(N)Oc3c2c(-c2ccccc2)nn3Cc2ccc(Cl)c(Cl)c2)c1 1865710860 KDCICIGYCSQLSK-HSZRJFAPSA-N 487.390 6.432 50 10 JKGE Cc1nc(-c2ccc(Cl)c(Cl)c2)ccc1C(=O)NNC(=O)CCn1ccc2ccccc21 1865759411 YYEGPJXILRSCLC-UHFFFAOYSA-N 467.356 5.170 50 10 JKGE Cc1cccc(OCCCC(=O)NNC(=O)c2ccc(-c3ccc(Cl)cc3Cl)nc2C)c1 1865759745 PXISTVVMBMNQEF-UHFFFAOYSA-N 472.372 5.292 50 10 JKGE C[C@H]1CN(c2cc(Nc3ccc(SC#N)cc3)nc(C(C)(C)C)n2)C[C@H](C)N1c1ccccc1 1868342166 MONBYZHWYJYDHL-PMACEKPBSA-N 472.662 6.194 50 10 JKGE COc1ccc(OC/C(O)=C(\C#N)c2nc(-c3ccc([N+](=O)[O-])cc3)cs2)c(C(C)(C)C)c1 1872747075 MLLRKFBCBZSVKG-UZYVYHOESA-N 465.531 5.896 50 10 JKGE CCc1cccc(C)c1N1C[C@H](/C(O)=C(\C#N)c2nc(-c3ccc(F)c(F)c3)cs2)CC1=O 1872751429 HNFFKLKUMJHIOY-KJCFGCQTSA-N 465.525 5.805 50 10 JKGE COc1cc(C)c(-c2csc(/C(C#N)=C/c3ccc(OCc4ccccc4)cc3)n2)cc1C(C)C 1872793116 IVLJSVRVRFVEIH-BUVRLJJBSA-N 480.633 7.894 50 10 JKGE COc1c(C)cc(Cl)cc1-c1csc(/C(C#N)=C/c2ccc(OCc3ccccc3C)cc2)n1 1872794058 IFMHZFIGWXZKKO-LPYMAVHISA-N 487.024 7.732 50 10 JKGE C[C@H]1C([C@@H](Br)c2c(Br)sc(Br)c2Br)[C@@H]1C 1894085941 KRTUVOLRWKQCFV-XAQAVTJOSA-N 481.873 6.374 50 10 JKGE C[C@@H](CBr)N(Cc1ccccc1)C(=O)c1cc(Br)sc1Br 1914211553 DBGIPRYEJSGHHS-JTQLQIEISA-N 496.062 5.699 50 10 JKGE C[C@@H](CCBr)N(Cc1ccccc1)C(=O)c1ccc(F)cc1I 1915131625 YLXZKNMKQOYNKQ-ZDUSSCGKSA-N 490.154 5.246 50 10 JKGE COc1ccc(Br)c(CN(Cc2ccccc2)[C@@H](CBr)C2CC2)c1 1915217993 VZHHRWXLNVWJOA-FQEVSTJZSA-N 453.218 5.633 50 10 JKGE Clc1c(Br)sc(Br)c1[C@H](Br)CC[C@H]1CCOC1 1923050118 QMNIFXBGZCIRPU-NKWVEPMBSA-N 467.448 6.179 50 10 JKGE Cl[C@H](c1c(Br)sc(Br)c1Br)C1CC2(CCCCC2)C1 1924569096 PZICWLXIZNDXRI-NSHDSACASA-N 491.514 7.676 50 10 JKGE Clc1sc(Cl)c([C@@H](Cl)c2c(Br)cccc2Br)c1Cl 1925549319 UFISGVNTGGGKJM-QMMMGPOBSA-N 469.840 7.562 50 10 JKGE Cc1oc(Br)cc1[C@@H](Br)c1c(Cl)sc(Br)c1Cl 1925618309 OWDZTLONTJBEMR-SSDOTTSWSA-N 483.834 6.966 50 10 JKGE C[C@H]1CN(c2c(CBr)ccc(Br)c2Cl)CCN1Cc1ccccc1 1948735051 KJCPQEOLORFPEV-AWEZNQCLSA-N 472.652 5.708 50 10 JKGE Cc1cc(Br)sc1[C@H](Br)c1ccc(Br)c(Cl)c1 1950206909 ALVGGCDBNZYGTN-LLVKDONJSA-N 459.428 6.719 50 10 JKGE CC(C)(C)OC(=O)NC[C@@H]1CCCC2(CCC2)[C@H]1[C@@H](CBr)NC(=O)OC(C)(C)C 1975071325 LSBQLPGKFDMQGG-GVDBMIGSSA-N 475.468 5.386 50 10 JKGE CN[C@@H](c1c(Br)sc(Br)c1Br)[C@H]1C[C@@H](Br)C1 1991421574 MJNULYAAKPPPBV-GLDDHUGJSA-N 496.888 5.470 50 10 JKGE CC(C)N(Cc1ccccc1)S(=O)(=O)c1cc(Cl)cc(CBr)c1Cl 2009657906 HITOQITYTYNYBX-UHFFFAOYSA-N 451.213 5.488 50 10 JKGE CCc1sc(Br)cc1[C@@H](Br)c1cc(Br)ccc1F 2030220455 LJDHACUNSBQMQO-ZDUSSCGKSA-N 457.000 6.459 50 10 JKGE Cc1sc(C)c(C[C@H](Br)c2ccc(Br)cc2)c1Br 2050565477 GLDQDVLWBLLYAP-ZDUSSCGKSA-N 453.037 6.569 50 10 JKGE N#CC(=Cc1cn(-c2ccccc2)nc1-c1cc2ccccc2o1)c1nc(O)c2ccccc2n1 2053512337 YBLBMMHXPKJWGD-UHFFFAOYSA-N 455.477 5.998 50 10 JKGE Cc1cc(Cl)c(Br)cc1[C@H](Br)c1cc(Br)n(C)n1 2082389283 HIDLGFKDAPTDPI-LBPRGKRZSA-N 457.391 5.391 50 10 JKGE FC1(F)C[C@]1(Br)COc1c(Br)cc(CCl)cc1Br 2082494778 SEUCDLKPPZRLAH-JTQLQIEISA-N 469.345 5.502 50 10 JKGE Cl[C@H](c1cc2sccc2s1)c1cc(Br)ccc1I 2084766269 CZOHDXQYOLJIDH-ZDUSSCGKSA-N 469.594 6.658 50 10 JKGE CCCOCCCC(CBr)(CBr)c1ccccc1Br 2092617168 QDAQWJUGYMESDC-UHFFFAOYSA-N 457.044 5.684 50 10 JKGE Brc1cccc(Br)c1CN1CC[C@@H]2C[C@@H](Br)CC[C@@H]21 2094090929 MRSNHNXURAKDNS-ZETOZRRWSA-N 452.028 5.350 50 10 JKGE FC1(F)[C@H]([C@H](Br)c2cc(Br)ccc2Br)C12CCCC2 2097390326 LGSDRWRKOBSSMJ-VXGBXAGGSA-N 458.966 6.473 50 10 JKGE C[C@@H]1CN(Cc2ccccc2)C[C@@H]1n1c(CCl)nc2cc(Br)c(Cl)cc21 2103624679 QQFDBENGYHQORX-YJYMSZOUSA-N 453.211 5.884 50 10 JKGE C[C@H]1CC[C@H](CCOc2c(Br)cc(CBr)cc2Br)O1 2104838435 SVBDYDPIQVSFLZ-GXSJLCMTSA-N 457.000 5.443 50 10 JKGE C[C@H](CCOCc1ccccc1)n1c(CCCl)nc2cc(Cl)c(Br)cc21 2112701907 PUMRCEOUMOVEIA-CQSZACIVSA-N 456.211 6.401 50 10 JKGE BrCC(CBr)(Cc1ccccc1)Cc1cnsc1Br 2119233688 JSQKDFQJBQOJBC-UHFFFAOYSA-N 468.052 5.467 50 10 JKGE Cc1c(Br)ccc([C@@H](Br)[C@@H]2CC3CCC2CC3)c1Br 2138875628 HQRWKQCWAYUZAX-SWEPWFITSA-N 451.040 6.782 50 10 JKGE Fc1ccc([C@@H](Cl)c2cc(Br)c3c(c2)CCO3)c(I)c1 2146619260 GYBJTOJNNYJGFD-AWEZNQCLSA-N 467.503 5.456 50 10 JKGE Cc1cccc(C[C@H](CBr)Cc2c(Br)cccc2Br)c1 2150496263 SVONOZHDOSOICA-AWEZNQCLSA-N 461.035 6.316 50 10 JKGE CC1(C)CCC[C@]1(CBr)NC(=O)c1cccc(Br)c1Br 2150554078 DHSHXQKZTVDNAD-OAHLLOKOSA-N 468.027 5.285 50 10 JKGE BrCc1ccc(N2C[C@@]34CCC[C@@]3(CN(Cc3ccccc3)C4)C2)cc1Br 2153341301 OBKHNCUTPRTGIO-ZRZAMGCNSA-N 490.283 5.837 50 10 JKGE C[C@H]1Cc2cc(Br)cc([C@H](Br)c3cc(Cl)c(Cl)s3)c2O1 2156056623 YNLXFBJNUKNRFU-QTTZVWFDSA-N 457.014 6.625 50 10 JKGE Cc1cc([C@H](Br)c2cc(Cl)c(C)c(Br)c2)c(C)cc1Br 2167388455 SIUXYDHEZAZBGR-MRXNPFEDSA-N 481.453 7.275 50 10 JKGE FC(F)(F)C1([C@H](Br)c2c(Cl)sc(Br)c2Cl)CCOCC1 2173210150 HEMQHABSJLWELA-SSDOTTSWSA-N 476.967 6.613 50 10 JKGE CCc1cc([C@H](Br)c2cccc(C)c2I)c(F)cc1F 2175377274 XWHUVGISAQXHGN-OAHLLOKOSA-N 451.092 5.925 50 10 JKGE COc1cc(C)c(Br)cc1[C@@H](Br)c1c(Br)nn(C)c1C 2188145820 FNMCBKAPFZHHAW-CYBMUJFWSA-N 466.999 5.055 50 10 JKGE FC(F)(F)[C@H]1OC2([C@H](Br)c3c(Cl)sc(Br)c3Cl)CC1C2 2193097034 WMDIHPAEKZFBQD-XHSCVUKGSA-N 474.951 6.363 50 10 JKGE COc1cc(C)c([C@@H](Cl)c2ccc(I)c(Cl)c2)cc1Br 2198732378 INZARBBXJLWUHI-HNNXBMFYSA-N 485.974 6.352 50 10 JKGE CC[C@@H](CC(F)(F)F)[C@@H](Br)c1c(C)c(Br)cc(C)c1Br 2201061794 IHNSRQBTNRTRCD-TVQRCGJNSA-N 480.988 7.243 50 10 JKGE COc1c(C)cc(Br)cc1[C@H](Cl)c1cc(Br)cc(Br)c1 2206587806 VEKVPFHUJMLXSY-CQSZACIVSA-N 483.425 6.619 50 10 JKGE COc1c(C)cc(Br)cc1[C@@H](Br)c1c(Br)c(C)nn1C 2206601671 DGOAXKVNUYCFKR-GFCCVEGCSA-N 466.999 5.055 50 10 JKGE O=C(c1cc(Br)ccc1Br)N1CCCC[C@H]1CCCBr 2206675994 YKKXZPCVAOQEFY-LBPRGKRZSA-N 468.027 5.381 50 10 JKGE COc1cccc(CBr)c1OCc1ccc(I)c(Cl)c1 2208039028 IIWULKLNPHZXHP-UHFFFAOYSA-N 467.528 5.427 50 10 JKGE Cc1ccc([C@@H](Br)c2ccc(Br)cc2)cc1I 2212991816 CXFGBVWTVXKDFL-AWEZNQCLSA-N 465.954 5.846 50 10 JKGE CCN(C(=O)c1cc(Br)c(Br)s1)[C@@H]1CCC[C@H]1Br 2217698290 WPNGDHGEBYRGBX-VXNVDRBHSA-N 460.029 5.051 50 10 JKGE Cl[C@H](c1c(Br)sc(Br)c1Br)[C@@H]1OC[C@H]2CCC[C@H]21 2218088865 HZHIDOUHMQYFFM-SXILTZBTSA-N 479.459 6.131 50 10 JKGE Cc1cc([C@@H](Br)c2cc(Br)c(C)s2)c(C)cc1Br 2218971226 WWXGLMUSQDDAFY-CQSZACIVSA-N 453.037 6.683 50 10 JKGE O=C(c1scc(Br)c1Br)N1C[C@H](Br)CC12CCCC2 2232252792 INHNHBWJUMTVEI-MRVPVSSYSA-N 472.040 5.195 50 10 JKGE Cc1nn(C)c(Br)c1[C@H](Cl)c1c(Br)cc(Cl)c(Cl)c1Cl 2232517827 WPJSNWMBBGRDMW-JTQLQIEISA-N 481.830 6.542 50 10 JKGE COc1c(Br)cc(C)cc1[C@@H](Cl)c1ccc(C)c(I)c1 2232834603 LDXWWYIIKZDQQL-HNNXBMFYSA-N 465.556 6.007 50 10 JKGE CC1(C)CCC[C@H]([C@@H](Br)c2cc(Br)c(Br)cc2F)CC1 2233974972 HSPMQXLSBAHQJJ-ZUZCIYMTSA-N 471.046 7.393 50 10 JKGE ClCc1nc2cc(Cl)cnc2n1-c1ccc(Br)cc1I 2240289890 WPZUKOCEZGVBKG-UHFFFAOYSA-N 482.934 5.180 50 10 JKGE Cc1sc([C@@H](Cl)c2cc(I)ccc2F)c(Br)c1C 2253467647 PPCRRKPUYZWLBH-LBPRGKRZSA-N 459.549 6.199 50 10 JKGE Cc1sc([C@@H](Br)c2cccc(Br)c2F)c(Br)c1C 2253472897 HMAHSRRFPFXZMA-NSHDSACASA-N 457.000 6.513 50 10 JKGE COc1ccc([C@H](Br)c2scc(C)c2Cl)cc1I 2257366672 DMDGMNKEQGWUPP-NSHDSACASA-N 457.558 5.807 50 10 JKGE Cc1cc(F)c(Br)cc1[C@H](Br)c1cc(Br)c(C)s1 2258093176 XMVRVUSGCAWWFI-ZDUSSCGKSA-N 457.000 6.513 50 10 JKGE Cc1cc(Br)c([C@@H](Br)c2cn(C)nc2Br)c(C)c1F 2264483852 AZDADULSAMZZMM-NSHDSACASA-N 454.963 5.185 50 10 JKGE COc1ccc([C@H](Br)c2sc(C)cc2Br)c(Br)c1Cl 2268261841 NEBAPNXPEQFHBU-NSHDSACASA-N 489.454 6.728 50 10 JKGE COCc1cc(Br)c([C@@H](Cl)c2ccc(Cl)c(I)c2)s1 2268272384 CNJLYECUHKLEEK-LBPRGKRZSA-N 492.003 6.243 50 10 JKGE Cc1cc([C@@H](Br)Cc2cc(Br)cc(Br)c2)ccc1Cl 2277961788 YDOKJKDMQKOYPQ-AWEZNQCLSA-N 467.426 6.852 50 10 JKGE COCC1([C@@H](Br)c2sc(Br)c(C)c2Br)CC(F)(F)C1 2278207050 CCVSAOQRRGDXBV-VIFPVBQESA-N 483.010 6.079 50 10 JKGE Cc1ccc(NC(=O)C(C#N)=C2S[C@@H](Cc3ccccc3Cl)C(=O)N2c2ccc(C)cc2)cc1 2293038761 YDOHTUCUIYEGRE-DEOSSOPVSA-N 488.012 6.022 50 10 JKGE Brc1cc(Br)cc(C[C@@H](Br)[C@@H]2C[C@H]3COC[C@H](C3)C2)c1 2295332168 SPUDIUXZZRDKBP-LMOYCYGVSA-N 467.039 5.580 50 10 JKGE COc1cc([N+](=O)[O-])ccc1NC(=O)C(C#N)=Cc1ccc(OCc2ccc(Cl)cc2)c(OC)c1 2295459748 UJHJTMNUYJVQRO-UHFFFAOYSA-N 493.903 5.390 50 10 JKGE COc1cc(NC=C(C#N)c2nc(-c3cccc(Br)c3)cs2)c(C)cc1[N+](=O)[O-] 2296052320 AMRFEFHCZOAGPG-UHFFFAOYSA-N 471.336 5.774 50 10 JKGE Cc1cccc(NC(=O)C(C#N)=C2S[C@@H](Cc3ccc(Cl)cc3)C(=O)N2c2ccccc2)c1 2296506758 CXCWGYVGQFOCMZ-QHCPKHFHSA-N 473.985 5.713 50 10 JKGE N#CC(=Cc1ccc(-c2cc(C(F)(F)F)ccc2Cl)o1)C(=O)Nc1ccccc1Cl 2296819094 TYDKPXNFTPNXMD-UHFFFAOYSA-N 451.231 6.818 50 10 JKGE COc1ccc(NC(=O)C(C#N)=Cc2ccc(OCc3ccc(Cl)cc3)c(OC)c2)cc1OC 2297382235 ZDPZZDKHEYHWKZ-UHFFFAOYSA-N 478.932 5.490 50 10 JKGE N#CC(=Cc1cccn1Cc1ccc(Cl)cc1Cl)C(=O)Nc1ccccc1C(F)(F)F 2297616722 HZVNDWIBKLRYNN-UHFFFAOYSA-N 464.274 6.408 50 10 JKGE CS(=O)(=O)C1([C@@H](Br)c2ccc(OCc3ccccc3)cc2Br)CC1 2299489425 PEOSJWUGFJUMOU-KRWDZBQOSA-N 474.214 5.041 50 10 JKGE Brc1ccc(OCc2ccccc2)c2c1[C@H](Br)C[C@H](C1CC1)CC2 2299517611 MNSSTRHREMXRTN-VQIMIIECSA-N 450.214 6.827 50 10 JKGE N#CC(=Cc1ccc(OCc2ccc(C(=O)O)cc2)cc1)C(=O)Nc1cccc(Cl)c1Cl 2313570716 DSROLCDTZIIFRZ-UHFFFAOYSA-N 467.308 5.816 50 10 JKGE Fc1ccc([C@H](Cl)c2ccc(OCc3ccccc3)cc2Br)cc1Br 2314452288 LQACVXXOXHPWHK-FQEVSTJZSA-N 484.590 7.258 50 10 JKGE Cc1ccc(-c2ccc(C=C(C#N)c3nc(-c4ccc(Br)cc4)cs3)o2)c([N+](=O)[O-])c1 2314456828 BDAXFGYKSXTHIO-UHFFFAOYSA-N 492.354 7.113 50 10 JKGE CCc1ccc(N2C(=O)[C@H](Cc3cccc(C)c3)SC2=C(C#N)C(=O)Nc2cccc(C)c2)cc1 2314591938 IBGVNHBZXCXCMY-SANMLTNESA-N 481.621 5.931 50 10 JKGE C=CCNC(=O)C(C#N)=C1S[C@H](Cc2ccc(CC)cc2)C(=O)N1c1ccc(C(C)C)cc1 2314594110 ZETNPHXHEVRGTM-XMMPIXPASA-N 459.615 5.101 50 10 JKGE COc1ccc(CN2C(=O)C(=Cc3ccc(OCc4ccccc4Cl)cc3)C(C)=C(C#N)C2=O)cc1 2314617508 ZMJYLTLIGSOCEP-UHFFFAOYSA-N 498.966 5.720 50 10 JKGE N#CC1=C(N)Oc2cc(OC(=O)C=Cc3ccc(Cl)cc3Cl)ccc2[C@@H]1c1ccccc1Cl 2314634097 LRVIAYDEITUCQN-DEOSSOPVSA-N 497.765 6.484 50 10 JKGE CCCOc1ccc(C=C(C#N)C(=O)Nc2sc3c(c2C(=O)OCC)CC[C@@H](C)C3)cc1 2314736440 JFALBQJVGVHJCK-MRXNPFEDSA-N 452.576 5.384 50 10 JKGE Cc1cc(F)c(Br)cc1[C@H](Cl)c1sc(Cl)cc1I 2316773583 ZRFIYFWDLWRTEJ-NSHDSACASA-N 479.967 6.544 50 10 JKGE CC1CC(CBr)(COCc2cc(I)ccc2Br)C1 2318982330 LUARLNFXATVITF-UHFFFAOYSA-N 488.001 5.382 50 10 JKGE CCOc1cc(C=NNC(=O)Cc2cc(OC)ccc2Cl)cc(Cl)c1OCC(C)C 2323676329 KOGVVQKCTIOJOK-UHFFFAOYSA-N 453.366 5.128 50 10 JKGE CC(C)(C)OC(=O)NCCCCCC(=O)NN=Cc1c(OCc2ccccc2)ccc2ccccc12 2328835328 ROITWGDSBRDBTJ-UHFFFAOYSA-N 489.616 5.954 50 10 JKGE Cc1ccc(C(C)(C)C)cc1-c1csc(C(C#N)=C(O)[C@@H](C)Oc2ccc(Cl)cc2)n1 2331397184 RBPLKJLHHHRMCN-MRXNPFEDSA-N 453.007 7.330 50 10 JKGE COc1cc(C=C(C#N)c2nc(-c3ccc4c(c3)OCO4)cs2)cc(Br)c1OC(C)C 2331453804 MJZXZPLAJQQBQX-UHFFFAOYSA-N 499.386 6.161 50 10 JKGE CCCOc1ccc(C=C(C#N)c2nc(-c3cc(C(C)(C)C)ccc3OC)cs2)cc1OCC 2331461031 AILHOTNDEMVYAT-UHFFFAOYSA-N 476.642 7.368 50 10 JKGE Fc1cc(Br)c(F)c(Br)c1[C@H](Br)[C@H]1CC[C@@H]2C[C@@H]2C1 2334720403 WAZQGPMUIFLTQP-BSFVXNEUSA-N 458.966 6.362 50 10 JKGE COc1cc(Cl)ccc1[C@H](Br)c1cc(Br)ccc1OCc1ccccc1 2336047701 NUBKMUCYNGMVCH-NRFANRHFSA-N 496.626 7.174 50 10 JKGE CC1(C)C[C@@H]([C@H](Br)c2c(Cl)cc(Br)c(F)c2Br)CO1 2337084565 MQTMFTLTKKHJMM-LDWIPMOCSA-N 479.409 6.255 50 10 JKGE Fc1c(Br)cc(Cl)c([C@@H](Cl)c2ccc(Br)cc2)c1Br 2337098588 RJUNOGZWDOMRBL-LBPRGKRZSA-N 491.807 7.095 50 10 JKGE C[C@H](Br)CN(Cc1ccc(Cl)c(I)c1)CC(C)(C)C 2337220716 GJEKYXAUGDHQJX-NSHDSACASA-N 458.609 5.576 50 10 JKGE COc1c(Br)cc(C)c([C@@H](Br)[C@@H]2CCO[C@@H]2C)c1Br 2339675818 SRFKYYSXLLDRDX-LNLATYFQSA-N 457.000 5.390 50 10 JKGE ClCc1ccc(Cl)cc1OCc1ccc(I)c(Br)c1 2349806898 LIAUVOVQTRUUAL-UHFFFAOYSA-N 471.947 6.025 50 10 JKGE C[C@H]1CN(Cc2cc(I)ccc2Cl)CC[C@H]1CCBr 2352414490 UQSPLEMLDVGUBF-NWDGAFQWSA-N 456.593 5.188 50 10 JKGE Clc1cc(Br)c([C@@H](Br)[C@@H]2C[C@H]2C2CCCC2)c(Cl)c1Cl 2358399351 ZESAEAHRJHDTAI-RWEMILLDSA-N 461.452 7.672 50 10 JKGE Brc1cc(OCc2ccccc2)ccc1[C@@H](Br)c1ccc2ccccc2c1 2361193573 ATPGLXHRCWRQRR-DEOSSOPVSA-N 482.215 7.666 50 10 JKGE COc1ccc(OC)c([C@H](Br)c2ccc(OCc3ccccc3)cc2Br)c1 2361196351 XATAYYCSLHBOCY-JOCHJYFZSA-N 492.207 6.530 50 10 JKGE Cc1ccc(Cl)c([C@H](Cl)c2c(Cl)cc(Br)c(F)c2Br)c1 2362231396 FKGKERMYCUTPLE-ZDUSSCGKSA-N 461.383 7.294 50 10 JKGE ClC[C@]1(Cc2ccc(I)c(Br)c2)CCCCC12CCC2 2377330340 DOOUXFUEPZVCRR-QGZVFWFLSA-N 467.616 6.566 50 10 JKGE CC(C)(C)Oc1ccc([C@H](Br)c2cc(Br)co2)cc1Br 2381299747 PFSSGKOGRBSNMM-AWEZNQCLSA-N 466.995 6.466 50 10 JKGE N#C/C(=C/c1ccc(-c2cccc([N+](=O)[O-])c2)o1)C(=O)Nc1ncc(Cc2ccc(Cl)cc2)s1 1767412 PFFSYHYVSWBNNY-ATVHPVEESA-N 490.928 6.101 50 10 JKGE CCOc1ccccc1N/C(SCc1cccc(F)c1)=C(/C#N)C(=O)NCc1cccs1 3058977 KXGNFHXFNQDISE-HIXSDJFHSA-N 467.591 5.683 50 10 JKGE CCOC(=O)c1ccc(N2CSC3=C(C#N)[C@@H](c4ccc(C(C)C)cc4)CC(=O)N3C2)cc1 9693341 UESFBSFGIABFHC-JOCHJYFZSA-N 461.587 5.206 50 10 JKGE CC(C)CC(=O)Nc1ccc(C(=O)NNC(=O)N2c3ccccc3Sc3ccccc32)cc1 13988915 VYMKGQCXVUMDAH-UHFFFAOYSA-N 460.559 5.329 50 10 JKGE Cc1ccc(N2C(=O)[C@@H](Cc3cccc(C)c3)S/C2=C(\C#N)C(=O)Nc2ccc(Cl)cc2)cc1 16739797 URISKTODOVRUQR-GUNDDFSMSA-N 488.012 6.022 50 10 JKGE COc1ccc(C(=O)NCCCCCC(=O)N/N=C/[C@H]2CC=C(CCC=C(C)C)C[C@@H]2C)cc1OC 20073033 KIWFYFBGGQHYIT-FOBFDGLDSA-N 497.680 5.815 50 10 JKGE COc1ccc2[nH]c3c(c2c1)CCN(C(=O)CCCCCCl)[C@@H]3c1cccc(C(F)(F)F)c1 23445324 WECZCMYIESOSRL-XMMPIXPASA-N 478.942 6.469 50 10 JKGE CCOc1cc(/C=N/NC(=O)CSc2nc3ccccc3[nH]2)ccc1OCc1ccc(C)cc1 32520549 LPLZUQDYIHURGN-JFLMPSFJSA-N 474.586 5.091 50 10 JKGE CC(C)(C)c1ccc(/C=C(/C#N)c2nc(-c3ccccc3)c(NC(=O)c3cccs3)s2)cc1 34715436 BOFJMIVBKHGOFS-SILNSSARSA-N 469.635 7.486 50 10 JKGE N#C/C(=C/c1ccc(OCCOc2ccccc2Cl)c(Cl)c1)C(=O)NCc1ccco1 34859571 IQTMKQKUTBLXMN-ATVHPVEESA-N 457.313 5.268 50 10 JKGE CCc1ccc(OCC(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@H]3c2ccc(C(C)(C)C)cc2)cc1 38649854 DTEJIYRJPOVWMB-NDEPHWFRSA-N 482.580 5.749 50 10 JKGE CCCOc1ccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4cc5ccccc5oc4=O)ccc32)cc1 38687488 VBUJQYGYYJKKKL-AREMUKBSSA-N 494.503 5.019 50 10 JKGE CCCCOc1ccc(/C=N/NC(=O)COc2ccc(C(C)(C)C)cc2Br)cc1OC 40950829 RELJFXKIQOGAAG-CVKSISIWSA-N 491.426 5.463 50 10 JKGE CCCN(CCC)c1ccc(C(=O)N/N=C2\C(=O)N(Cc3ccccc3F)c3ccccc32)cc1 59167258 HINTWMKACWDERJ-BXVZCJGGSA-N 472.564 5.133 50 10 JKGE N#C/C(=C\Nc1ccc(Cl)cc1Cl)c1nc(-c2cc3c(ccc4ccccc43)oc2=O)cs1 102403782 KIVHTRYCNRARIP-NTCAYCPXSA-N 490.371 7.353 50 10 JKGE CCOc1cc(/C=C(/C#N)C(=O)Nc2nc3ccccc3s2)ccc1OCc1ccccc1C#N 102443902 HOGRSNKGMYYWMV-BKUYFWCQSA-N 480.549 5.691 50 10 JKGE CCOC(=O)/C(C#N)=C(/Nc1ccc(OC)cc1)S/C(=C\C=C(C#N)C#N)c1ccccc1 108783938 OJVKPZIDIKMXOD-BLVMGTRKSA-N 456.527 5.153 50 10 JKGE Fc1ccc(Cl)c(CC(CBr)(CBr)c2ccccc2Br)c1 126234759 LXUBMYOVVGSBDE-UHFFFAOYSA-N 499.443 6.512 50 10 JKGE Fc1cc(Br)cc(COc2ccc(Br)c(CBr)c2)c1 129047724 ZRMGAMHJJFMSHS-UHFFFAOYSA-N 452.943 5.825 50 10 JKGE Cc1cc([C@H](Br)c2ccc(Br)cc2Br)c(Cl)cc1F 235860696 VMJDFJMZVSXFSP-CQSZACIVSA-N 471.389 6.797 50 10 JKGE Cc1ccc([C@H](Br)c2cc(I)ccc2Br)cc1 235910731 IZFJJCPHYKBAPB-AWEZNQCLSA-N 465.954 5.846 50 10 JKGE Cl[C@@H](Cc1nc2ccccc2s1)c1cc(Br)ccc1I 236026108 NIAWKNQJJHCDBZ-NSHDSACASA-N 478.580 6.186 50 10 JKGE COc1cc(C=NNC(=O)c2ccncc2)ccc1OCCSc1cccc2ccccc12 254401376 FQSWTVSCGKQCIG-UHFFFAOYSA-N 457.555 5.178 50 10 JKGE O=C(/C=C/c1cccc([N+](=O)[O-])c1)OCC(=O)N(N=Cc1ccccc1)c1cccc(C(F)(F)F)c1 254825791 PMFXWORIXAXJEQ-GXOZOYNASA-N 497.429 5.237 50 10 JKGE CCCOc1ccc(C(=O)NN=Cc2ccc(OC(=O)c3ccc(OCC)cc3)c(OCC)c2)cc1 254873562 CLLYTLNEQNBRDP-UHFFFAOYSA-N 490.556 5.256 50 10 JKGE C[C@@H](Cl)c1nc2cc(I)ccc2n1Cc1ccsc1Br 388534872 NEFKVJGOXISBGP-MRVPVSSYSA-N 481.584 5.813 50 10 JKGE Fc1cc(Br)ccc1[C@@H](Br)c1c(Br)cc(F)c(F)c1F 398721720 IUAOIQIBVHCCPP-LLVKDONJSA-N 476.887 6.252 50 10 JKGE Fc1cc(Br)c([C@H](Cl)c2sccc2I)c(F)c1F 398727378 LHNMHMSLWYEJQQ-QMMMGPOBSA-N 467.475 5.861 50 10 JKGE Cc1cc(C)c([C@H](Br)c2cscc2Br)c(C)c1Br 404711196 MQIRSDZSCSFVRR-CQSZACIVSA-N 453.037 6.683 50 10 JKGE CC(C)(C)[Si](C)(C)OCCc1cccc([C@H]2CN(Cc3ccccc3)c3ccccc3N2)c1 616684914 MANCWVGSZUANSO-HHHXNRCGSA-N 458.722 7.424 50 10 JKGE Cc1cc(C)c([C@@H](Br)c2nn(C)cc2Br)c(C)c1Br 693121094 HEFBGQBKZSPZDX-CYBMUJFWSA-N 451.000 5.355 50 10 JKGE CCOc1ccc([C@H](Br)c2ncsc2Br)c(Br)c1 698648859 UNGIVQLNNKTPLB-JTQLQIEISA-N 455.997 5.551 50 10 JKGE O=C(NC1(CBr)CCCCCC1)c1ccc(Br)cc1Br 713489648 CTAYTJORHUYYHD-UHFFFAOYSA-N 468.027 5.429 50 10 JKGE N#C/C(=C(\Cl)c1ccc(I)c(Br)c1)c1cccs1 721300241 BBLNMYSDSCQXSV-UKTHLTGXSA-N 450.526 5.746 50 10 JKGE Clc1ncsc1CC(CBr)(CBr)c1cccc(Br)c1 721329316 HQTWWMWYEWJOCC-UHFFFAOYSA-N 488.470 5.829 50 10 JKGE Cc1ccc([C@@H](Br)c2ccc(I)c(Br)c2)cc1 721587948 NBEAXQAMYKJBGQ-CQSZACIVSA-N 465.954 5.846 50 10 JKGE Cc1cc(F)c([C@H](Br)c2cccc(F)c2I)cc1Cl 721719424 PDDNLZJXMKCIOH-CYBMUJFWSA-N 457.483 6.016 50 10 JKGE CO[C@@H](C(=O)NN=C(C)c1ccc2c(c1)[C@@H]1C=CC[C@@H]1[C@H](c1ccc(F)cc1)N2)c1ccccc1 1083952839 TUSNEIOVYPFCGY-YFQNEARWSA-N 469.560 5.880 50 10 JKGE N#C/C(=C\c1cc(Br)c(Sc2ccc(Cl)cc2)o1)C(=O)Nc1ccccc1Cl 1084303930 CGJGMRYODWMCBN-FMIVXFBMSA-N 494.197 7.046 50 10 JKGE CCOc1cc(C=NNC(=O)Cc2ccc(OC)cc2)ccc1OCc1ccc(Cl)cc1 1084335120 BEQBGCYFFAFOAN-UHFFFAOYSA-N 452.938 5.019 50 10 JKGE C[C@H](NC(=O)/C(C#N)=C/c1cc(Br)ccc1OCc1ccccc1Cl)c1ccccc1 1084353245 ZUEGEYXNURXESC-RSZPVBOMSA-N 495.804 6.466 50 10 JKGE CCn1c2ccccc2c2cc(C=NNC(=O)CCC(=O)Nc3ccc(Cl)cc3Cl)ccc21 1084368392 VBWGGCXTLWLPRY-UHFFFAOYSA-N 481.383 5.990 50 10 JKGE CC(=NNC(=O)c1ccccc1I)C(c1ccccc1)c1ccccc1 1084542407 GMBHFULSEJIRDA-UHFFFAOYSA-N 454.311 5.229 50 10 JKGE O=C(NN=C1C(=O)N(C(c2ccccc2)c2ccccc2)c2ccccc21)c1cccc2ccccc12 1084586342 YBBFZRSNOBULAG-UHFFFAOYSA-N 481.555 6.110 50 10 JKGE CC(C)N(C)c1cc(Cl)cc(C(=O)N(NC(=O)Nc2cc(F)c(F)cc2F)C(C)(C)C)c1 1088738944 GKQKBAONRNSTBY-UHFFFAOYSA-N 470.923 5.579 50 10 JKGE Cc1c(C(=O)Nc2ccc(C(C)C)cc2)oc2c1C(=NNC(=O)c1cccc([N+](=O)[O-])c1)CCC2 1772745958 MGDFEIOJPMDRRP-UHFFFAOYSA-N 474.517 5.342 50 10 JKGE FC(F)(F)c1cc(CBr)ccc1-c1c(Cl)c(Cl)c(Cl)c(Cl)c1Cl 1848369080 DZHZBIBGTDQZMJ-UHFFFAOYSA-N 487.357 8.534 50 10 JKGE C=CCOc1ccccc1[C@@H]1C(C#N)=C(N)Oc2c1c(C(F)(F)F)nn2Cc1ccccc1Cl 1865690899 DRMDLLJQTBNAAD-LJQANCHMSA-N 486.881 5.387 50 10 JKGE CCCCCOc1ccc([C@H]2C(C#N)=C(N)Oc3c2c(C)nn3Cc2ccc(C)cc2)cc1OCC 1865691437 SADYZRBNQAAFPJ-MHZLTWQESA-N 486.616 5.734 50 10 JKGE CCCc1nn(-c2ccc(Br)cc2)c2c1[C@@H](c1sccc1C)C(C#N)=C(N)O2 1865698848 DSESXXGTPVDMOO-KRWDZBQOSA-N 455.381 5.175 50 10 JKGE COc1ccc(-c2nn(-c3cccc(Cl)c3)c3c2[C@H](c2ccccc2C(=O)O)C(C#N)=C(N)O3)cc1 1865703876 HVWALSAUQUWRKX-JOCHJYFZSA-N 498.926 5.118 50 10 JKGE COc1ccccc1[C@@H]1C(C#N)=C(N)Oc2c1c(-c1ccccc1)nn2Cc1ccc(Cl)cc1 1865710130 PDMGVYVQOZXDGQ-HSZRJFAPSA-N 468.944 5.479 50 10 JKGE CCCC[C@H](NC(=O)C[C@H](c1ccc(C)cc1)C(C)C)C(=O)Nc1ccc(SC#N)cc1 1866737028 QAYFEAMCLLKXEO-ZEQRLZLVSA-N 451.636 6.012 50 10 JKGE Cc1ccc(C)c2c1C[C@@H](C)CN2c1cc(Nc2ccc(SC#N)cc2)nc(-c2cccnc2)n1 1868566201 WIEHAHWTWVHXHH-GOSISDBHSA-N 478.625 6.803 50 10 JKGE CCc1ccc(-c2csc(/C(C#N)=C(\O)c3ccc(N4C(=O)c5ccccc5C4=O)cc3)n2)cc1 1872744046 FIOJUSRQBJIFPA-BZZOAKBMSA-N 477.545 6.123 50 10 JKGE C[C@@H](c1ccccc1)N1C[C@H](/C(O)=C(\C#N)c2nc(-c3ccc(Cl)cc3Cl)cs2)CC1=O 1872744677 CMEOYVKFMAUABA-ZNERZTHVSA-N 484.408 6.519 50 10 JKGE COc1ccc(CN2C(=O)c3ccc(/C(O)=C(\C#N)c4nc(C(C)C)cs4)cc3C2=O)cc1 1872751108 YHYBGBCSFFHBRI-XDOYNYLZSA-N 459.527 5.021 50 10 JKGE COC(=O)c1ccccc1N1C[C@H](/C(O)=C(\C#N)c2nc(-c3cccc4ccccc34)cs2)CC1=O 1872751753 DVNBGDOLDTZAIE-PPFHAMGKSA-N 495.560 5.596 50 10 JKGE N#C/C(=C(/O)Cc1cc(Cl)ccc1Cl)c1nc(-c2cc(Cl)ccc2Cl)cs1 1872758268 SUVWJHIPLUZFCQ-JXAWBTAJSA-N 456.181 7.459 50 10 JKGE COc1ccc(-c2csc(/C(C#N)=C/c3ccc(OCCc4ccccc4)c(OC)c3)n2)cc1F 1872792206 LIMDNUPVNBUHSK-HYARGMPZSA-N 486.568 6.652 50 10 JKGE C[C@@H](CCCl)N(Cc1ccccc1)S(=O)(=O)c1c(Cl)cc(Br)cc1Cl 1915070414 WTFYULYHGQSDTA-LBPRGKRZSA-N 485.658 5.964 50 10 JKGE COC1(C(F)(F)[C@@H](Br)c2sc(Br)cc2Br)CCC1 1922905976 FDYGCDAARQWTSR-VIFPVBQESA-N 468.983 5.914 50 10 JKGE Fc1cccc(Cl)c1[C@H](Br)c1sc(Br)cc1Br 1922934936 LETNAOAICBHTRN-JTQLQIEISA-N 463.391 6.550 50 10 JKGE COc1ccc([C@H](Cl)c2c(Br)sc(Br)c2Br)cc1F 1924595821 FIQYZECJQYUQNU-JTQLQIEISA-N 493.417 6.512 50 10 JKGE Cc1sc(Br)c([C@@H](Br)c2sc(Cl)cc2Br)c1C 1951020139 SOMSCULWQLVMSW-SECBINFHSA-N 479.484 7.089 50 10 JKGE Cc1c(Cl)cc(C(=O)N(CCCBr)Cc2ccccc2)cc1Br 1979764279 QHQYEEUBMCPESJ-UHFFFAOYSA-N 459.609 5.838 50 10 JKGE Cn1cc([C@H](Br)c2cc(Br)c(Br)s2)c(Br)n1 1981646740 OHUUEYSTOLZISC-ZETCQYMHSA-N 493.844 5.253 50 10 JKGE CC(C)(CBr)N(Cc1ccccc1)C(=O)c1ncc(Br)cc1Cl 1983536625 XTMYUJGYBCRCHE-UHFFFAOYSA-N 460.597 5.313 50 10 JKGE CCc1cc(Br)c([C@@H](Br)c2ccc(Br)cc2C)s1 2029234567 HGVIIHIGVKEQLR-ZDUSSCGKSA-N 453.037 6.628 50 10 JKGE CCc1sc(Br)cc1[C@H](Cl)c1cccc(C)c1I 2030219222 ISUHCVWHKTUYKU-CYBMUJFWSA-N 455.586 6.314 50 10 JKGE ClCc1ccc(Br)c(Cl)c1Oc1cccc(I)c1 2036843193 UMJBTTJWXSURAV-UHFFFAOYSA-N 457.920 6.238 50 10 JKGE CN(Cc1ccccc1)[C@H]1CCCCN(c2ccc(Br)cc2CBr)C1 2050045911 FUKIOSAQZOIWQG-FQEVSTJZSA-N 466.261 5.835 50 10 JKGE Brc1csc([C@H](Br)c2cc(I)cc3c2OCC3)c1 2052439272 ZCXYTFUTQTVAHH-GFCCVEGCSA-N 499.993 5.534 50 10 JKGE Cc1cc(Br)c(CBr)c(N2CCC[C@@H](N(C)Cc3ccccc3)C2)c1 2053213103 OVVVXCLXJZOSEZ-GOSISDBHSA-N 466.261 5.753 50 10 JKGE C[C@](CBr)(OCCOCCOCc1ccccc1)c1ccccc1Br 2056733138 AOUNLBRFANPNSD-HXUWFJFHSA-N 472.217 5.309 50 10 JKGE Cc1c(Br)sc([C@@H](Br)[C@H]2OCCOC2(C)C)c1Br 2066673982 IPQAFAAJWCZIFJ-PSASIEDQSA-N 463.029 5.212 50 10 JKGE Cl[C@@H](c1c(Br)sc(Br)c1Br)C1(CC2CCC2)CC1 2069581518 SNPHJDMPWKFTJE-JTQLQIEISA-N 477.487 7.286 50 10 JKGE Cc1cc(Br)ccc1[C@H](Br)c1c(Br)sc(C)c1C 2082884187 JSBNNOAHIJVRSV-ZDUSSCGKSA-N 453.037 6.683 50 10 JKGE BrC[C@@H]1CC12CCN(Cc1cccc(Br)c1Br)CC2 2092488751 FWTLYUPHCAIRCN-LBPRGKRZSA-N 452.028 5.209 50 10 JKGE Cc1cc(C)c([C@@H](Cl)c2csc(Br)c2Br)c(C)c1Br 2093941789 CFVMYXIEGXGZBZ-ZDUSSCGKSA-N 487.482 7.289 50 10 JKGE Fc1ccc(Br)c([C@H](Br)c2cc(Br)c(Cl)cc2F)c1 2097836268 YKOYYUIRJJJMOC-ZDUSSCGKSA-N 475.352 6.628 50 10 JKGE Brc1ccc(Br)c([C@H](Br)c2cc3c(s2)CCOC3)c1 2103240838 AUFRAEOSHIDMAO-AWEZNQCLSA-N 467.020 5.830 50 10 JKGE COc1ccc(C[C@@H](Br)c2csc(Br)c2Br)cc1F 2112117142 PIKXFHJJGXRGPF-SECBINFHSA-N 472.999 6.100 50 10 JKGE Cc1c(Br)ccc([C@H](Br)[C@H]2C(F)(F)C23CCC3)c1Br 2138863522 MGQLOHMUQFFPEB-NWDGAFQWSA-N 458.966 6.391 50 10 JKGE CCc1nc([C@H](Cl)c2ccc(Br)c(C)c2Br)c(Br)s1 2138869058 XYPWZVUZWAMAMP-LLVKDONJSA-N 488.470 6.630 50 10 JKGE COc1ccc([C@@H](Cl)c2ccc(I)c(C)c2)c(Br)c1 2142141249 SMNJWHZDVADQQO-HNNXBMFYSA-N 451.529 5.699 50 10 JKGE Cc1cc(F)c([C@H](Br)c2ccc(Br)cc2I)cc1C 2142292242 RZHDWZKDQIGALI-OAHLLOKOSA-N 497.971 6.294 50 10 JKGE C[C@@H](Cl)c1nc2cc(I)ccc2n1[C@H](C)c1cnn(Cc2ccccc2)c1 2146217456 MNAAWIFCGFCXSU-HUUCEWRRSA-N 490.776 5.795 50 10 JKGE C[C@H](Br)C[C@H]1CCCCCN1Cc1cccc(Br)c1Br 2148760271 KVTKHRVNZLXVHY-GXTWGEPZSA-N 468.071 6.130 50 10 JKGE CCn1ncc(Br)c1C[C@@H](CBr)Cc1cccc(Br)c1 2150690525 DBIIGKPXSYEKAU-LBPRGKRZSA-N 465.027 5.224 50 10 JKGE COc1cc(Br)c([C@H](Br)c2scc(Cl)c2Cl)cc1OC 2152524673 WWZQBOBSZSSTNP-NSHDSACASA-N 461.002 6.319 50 10 JKGE CC1(C)CCO[C@H]1CC(CBr)(CBr)c1ccc(Br)cc1 2154275541 ZZOXAZNZWOSQBQ-AWEZNQCLSA-N 469.055 5.682 50 10 JKGE COC1CC2(C1)CC(CBr)(Cc1cccc(Br)c1Br)C2 2156581795 OAHMIGQDVAGUTH-UHFFFAOYSA-N 467.039 5.724 50 10 JKGE Cc1sc(Br)c([C@@H](Cl)c2csc3c(Br)cccc23)c1C 2157251397 LDMZJOAYGCSDGL-ZDUSSCGKSA-N 450.648 7.433 50 10 JKGE ClCc1cc(Cl)cc(Br)c1OCc1cccc(Br)c1Cl 2166830820 VTESLWLGKOWWKS-UHFFFAOYSA-N 459.392 6.836 50 10 JKGE CN(C[C@H](Br)C1CCCC1)C(=O)c1c(Br)cccc1Br 2167644140 VCHHDBAZHAJMGP-ZDUSSCGKSA-N 468.027 5.237 50 10 JKGE Cc1c(Br)sc([C@H](Cl)c2cc3c(C)nn(C)c3s2)c1Br 2175242551 DIHLZJAUGGNBEF-SNVBAGLBSA-N 454.640 6.166 50 10 JKGE CC(C)(C)OC(=O)N1CCN(CCCCCCCCCBr)C[C@H]1CC(F)F 2177313588 ZTOLTFPSJDMXED-QGZVFWFLSA-N 455.428 5.689 50 10 JKGE C[C@H]1C[C@@H](n2c(CCl)nc3c(Br)cc(F)cc32)CN(Cc2ccccc2)C1 2184260739 OIWBXCOOCGHNHV-WMLDXEAASA-N 450.783 5.760 50 10 JKGE C[C@H]1C[C@@H](n2c(CCl)nc3cc(I)c(F)cc32)CN(Cc2ccccc2)C1 2184261262 VLSZJSHELHTCNL-GOEBONIOSA-N 497.783 5.602 50 10 JKGE COc1ccc([C@H](Br)c2ccc(Br)c(C)c2Br)cc1F 2203686835 OMGRJGBZYNJDCZ-HNNXBMFYSA-N 466.970 6.152 50 10 JKGE Cc1c(Br)ccc([C@@H](Br)[C@@H]2CCCCC23CCC3)c1Br 2203700049 AWQPOJPTWFVJII-XJKSGUPXSA-N 465.067 7.317 50 10 JKGE Cc1cc([C@@H](Br)c2c(C)sc(Br)c2C)sc1Br 2213637082 REBFJZQJMMDZHF-SNVBAGLBSA-N 459.066 6.744 50 10 JKGE C[C@H]([C@@H]1CCCO1)[C@@H](Br)c1c(Br)cc(Cl)c(Cl)c1Cl 2224317127 KZEJATSTCUZMHG-OUAIYISWSA-N 451.413 6.660 50 10 JKGE Fc1cc(Br)c(Br)cc1[C@H](Br)C1CC2(C1)CC2(F)F 2225619353 HYUHUJVMXHFWCP-LXJQOYHNSA-N 462.929 6.222 50 10 JKGE Fc1cc(Br)c(Br)cc1[C@@H](Br)C1CC2(CCCC2)C1 2225620538 VZXFZPPMHLSGRR-AWEZNQCLSA-N 455.003 6.757 50 10 JKGE Cc1cc(Br)c([C@@H](Br)[C@@H]2CCCC2(C)C)c(C)c1Br 2227346410 CVOINIQMCDLZER-NHYWBVRUSA-N 453.056 7.091 50 10 JKGE C[C@H]1C[C@@H]([C@@H](Br)c2c(Br)cc(Cl)c(Cl)c2Cl)C[C@@H](C)O1 2232521902 VXPMRKBYPAYMGI-MOEZTCPLSA-N 465.440 7.049 50 10 JKGE C[C@@H]1CC([C@H](Br)c2c(Br)cc(Cl)c(Cl)c2Cl)C[C@@H](C)O1 2232521904 VXPMRKBYPAYMGI-QHMRUWFYSA-N 465.440 7.049 50 10 JKGE CSc1ccc([C@H](Br)c2c(Br)cc(C)c(Br)c2C)cc1 2235606653 WWVVPDKYABJXJC-INIZCTEOSA-N 479.075 7.035 50 10 JKGE COc1ccc(Br)c(CBr)c1OCc1ncccc1Br 2236040219 RQHFOOGTGUBGBF-UHFFFAOYSA-N 465.967 5.089 50 10 JKGE Fc1cc(Br)ccc1[C@H](Br)c1c(F)cc(F)c(Br)c1F 2236106484 DHTNPOVQSZLSBT-NSHDSACASA-N 476.887 6.252 50 10 JKGE Cc1ccc(I)c([C@@H](Cl)c2sc(C)c(C)c2Br)c1 2253496965 NSAGDXSGOUHUDW-CYBMUJFWSA-N 455.586 6.369 50 10 JKGE Cn1cc(Cl)c([C@H](Br)Cc2cc(Br)cc(Br)c2)n1 2263519244 OZUSLYNGCLWGLD-SNVBAGLBSA-N 457.391 5.277 50 10 JKGE Fc1cc(F)c([C@@H](Cl)c2c(F)cccc2I)c(F)c1Br 2282786201 BUVTXQOBEUAAID-LBPRGKRZSA-N 479.436 5.938 50 10 JKGE COc1ccc(Br)cc1[C@@H](Br)c1cc(F)c(Br)cc1Cl 2282900772 ZESGOFDKTYOBNP-AWEZNQCLSA-N 487.388 6.497 50 10 JKGE CCOc1ccc(C=C(C#N)C(=O)Nc2ccc(Cl)cc2Cl)cc1I 2293779441 IKZCNABUYUPDNV-UHFFFAOYSA-N 487.124 5.542 50 10 JKGE N#CC(=Cc1cn(Cc2ccc(Cl)cc2)nc1-c1ccccc1)C(=O)Nc1ccccc1F 2295347880 LHOQLCCFLOPXCX-UHFFFAOYSA-N 456.908 5.937 50 10 JKGE COc1cc(OC)c([C@@H](Br)c2cc(C)c(Br)o2)cc1Br 2295422389 YDBSSEFDXQOHLM-CYBMUJFWSA-N 468.967 5.615 50 10 JKGE COc1cc(NC=C(C#N)c2nc(-c3cc4c(ccc5ccccc54)oc3=O)cs2)c(OC)cc1C 2296056375 PRLWRKGCGHAPKM-UHFFFAOYSA-N 495.560 6.372 50 10 JKGE C[C@@H]1Cc2cc(-c3nn(-c4ccccc4)cc3C=C(C#N)c3nc(O)c4ccccc4n3)ccc2O1 2296722578 UOKKRABQNZTVOE-GOSISDBHSA-N 471.520 5.576 50 10 JKGE COc1cc(C=C(C#N)c2nc(-c3ccc([N+](=O)[O-])cc3)cs2)cc(Br)c1O 2296790088 NONAHAQHLMLNKD-UHFFFAOYSA-N 458.293 5.259 50 10 JKGE CC(C)(C)c1cc(C=NNC(=O)[C@H]2CC2(c2ccccc2)c2ccccc2)cc(C(C)(C)C)c1O 2297672199 QJYLZPYHYJGWBR-AREMUKBSSA-N 468.641 6.444 50 10 JKGE Brc1cc(OCc2ccccc2)ccc1[C@H](Br)[C@H]1C[C@H]2CC[C@H]1O2 2299501393 NTGDTIRBHURDRG-VUBSUSDNSA-N 452.186 6.032 50 10 JKGE C[C@]1(C(F)F)C[C@@H]1[C@@H](Br)c1ccc(OCc2ccccc2)cc1Br 2299532319 FVOACRKMFKTPDB-AYBZRNKSSA-N 460.156 6.755 50 10 JKGE Fc1ccccc1[C@H](Br)c1cc(Br)ccc1OCc1ccccc1 2299535318 NPNPZADRUJWYMP-FQEVSTJZSA-N 450.145 6.652 50 10 JKGE Clc1ccc(I)cc1CO[C@@H]1CCCC[C@@H]1I 2307206500 KTGBZHHXGZHGDB-QWHCGFSZSA-N 476.523 5.207 50 10 JKGE Cc1ccc(NC(=O)C(C#N)=Cc2cc(Cl)c(OCc3ccccc3C#N)c(Cl)c2)cc1 2313568696 WEQIXQBYJHUESG-UHFFFAOYSA-N 462.336 6.298 50 10 JKGE COc1cc(C=C(C#N)C(=O)Nc2cccc(C)c2C)ccc1OCc1ccc(Br)cc1 2313667382 MAZZNXBXAUDPLA-UHFFFAOYSA-N 491.385 6.199 50 10 JKGE FC(F)(F)[C@@H]1CCc2c(Br)cc(OCc3ccccc3)cc2[C@@H](Br)C1 2314479901 FCEIIHQDKXAQIZ-DYVFJYSZSA-N 478.146 6.979 50 10 JKGE Cc1sc([C@H](Br)c2ccc(OCc3ccccc3)cc2Br)c(C)c1C 2314502795 LYMHRORPTYKNCX-HXUWFJFHSA-N 480.265 7.499 50 10 JKGE CC1=C(C#N)C(=O)N(CC(C)C)C(=O)C1=Cc1cn(-c2ccccc2)nc1-c1ccc2ccccc2c1 2314610139 CZBAGWONWXYJTP-UHFFFAOYSA-N 486.575 5.941 50 10 JKGE CCCCCCOc1ccc(C=C(C#N)C(=O)Oc2cccc(C=C(C#N)C(=O)OC)c2)cc1OC 2314754411 RNXLKCUKJIEMQU-UHFFFAOYSA-N 488.540 5.247 50 10 JKGE Clc1cc(I)c([C@H](Br)c2cccc(C3CC3)c2)s1 2316659517 UEAGKGSFAFRFKI-CYBMUJFWSA-N 453.570 6.368 50 10 JKGE CCOc1cc(C=NNC(=O)c2ccc(OC)cc2)ccc1OCc1ccc(Cl)cc1Cl 2321721361 PAVUGEUJPMGDNW-UHFFFAOYSA-N 473.356 5.744 50 10 JKGE CCOc1ccc(C=NNC(=O)c2ccc3[nH]c4c(c3c2)C[C@@H](C)CC4)cc1Br 2323168523 FDAOVLRUIOKOMW-AWEZNQCLSA-N 454.368 5.218 50 10 JKGE CC1(C)C(C)(C)C1(CBr)Cc1ccc(I)c(Br)c1 2325220338 HQVJIPJSHUOSMB-UHFFFAOYSA-N 486.029 6.044 50 10 JKGE N#CC(=C(O)CCCCCNC(=O)c1ccccc1)c1nc(-c2ccc3c(c2)CCCC3)cs1 2331240288 RSYAJZQCDMZZFO-UHFFFAOYSA-N 471.626 6.472 50 10 JKGE COc1cc(C(O)=C(C#N)c2nc(-c3ccc(F)cc3)cs2)c(Br)c(OC)c1OC 2331342708 SGHGIQJERVEBFO-UHFFFAOYSA-N 491.338 5.687 50 10 JKGE CCCCCCCOc1ccc(-c2csc(C(C#N)=C(O)c3cc4ccccc4oc3=O)n2)cc1 2331346011 QUKRPYKQRQFCTL-UHFFFAOYSA-N 486.593 7.216 50 10 JKGE Cc1cc(C)c(C)c(-c2csc(C(C#N)=C(O)[C@@H]3CC(=O)N([C@H](C)c4ccccc4)C3)n2)c1C 2331364547 KNIWOTOJHQHMSN-IFMALSPDSA-N 471.626 6.446 50 10 JKGE Cc1cc(C)c(C)c(-c2csc(C(C#N)=C(O)c3cc([N+](=O)[O-])c(C)c([N+](=O)[O-])c3)n2)c1C 2331370284 VZDNBGFJRFQYJJ-UHFFFAOYSA-N 464.503 6.118 50 10 JKGE CN(c1cccc(Br)c1CBr)[C@H]1C[C@@H]2C[C@H](OCc3ccccc3)C[C@H]12 2332003778 YUUUFYJHGMTZRM-ORGXJRBJSA-N 479.256 6.164 50 10 JKGE COc1ccc([C@@H](Cl)c2ccc(OCc3ccccc3)cc2Br)c(Cl)c1 2336073675 YDVWECQAQDGTJY-NRFANRHFSA-N 452.175 7.018 50 10 JKGE Cc1cc(Br)c(F)c(Br)c1[C@@H](Br)C1CCC(C)CC1 2339645784 LFNIVXLPTNPVPA-RHYVWVDMSA-N 457.019 6.921 50 10 JKGE Cc1cc([C@@H](Cl)c2c(C)cc(Br)c(F)c2Br)sc1Br 2339652218 XFWRDOIGCBJWCU-LLVKDONJSA-N 491.445 7.120 50 10 JKGE ClCc1ccc(Br)cc1OCc1ccc(Cl)cc1I 2340109813 JFTUTUAFLGSWJX-UHFFFAOYSA-N 471.947 6.025 50 10 JKGE Cc1nn(C)c2sc([C@H](Cl)c3cc(Br)ccc3OCc3ccccc3)cc12 2361202570 BSJHDJXBFIUFDN-HXUWFJFHSA-N 461.812 6.613 50 10 JKGE Fc1c(Br)cc(Cl)c([C@H](Br)C[C@H]2CCCC2(F)F)c1Br 2362222388 BJWYJNUYRMFTCA-RNFRBKRXSA-N 499.390 7.266 50 10 JKGE Cl[C@@H]1C[C@@H](Oc2cc(Br)cc(I)c2)C12CCCCCC2 2364105353 DTYLVJZDHYIWSK-HUUCEWRRSA-N 469.588 6.153 50 10 JKGE COc1c(Br)cc(C)c([C@@H](Br)[C@@]23CCCC[C@@H]2C3)c1Br 2365192322 BGLVXFWLVBTUOB-UHNFBRDESA-N 467.039 6.545 50 10 JKGE Cc1cc(Br)c(F)c(Br)c1[C@@H](Br)[C@@H]1CCCOC1(C)C 2365194373 QFBZHQBTYLZDIL-CABZTGNLSA-N 473.018 6.300 50 10 JKGE COCCC1([C@H](Br)c2c(C)cc(Br)c(OC)c2Br)CC1 2365216613 WDIKZQRONHIKNA-CQSZACIVSA-N 471.027 5.781 50 10 JKGE C[C@H]1C[C@H]2C[C@]([C@@H](Br)c3c(Cl)cc(Br)c(F)c3Br)(C2)O1 2368521702 URSNDVDLSQXJRE-ZUVKVVCWSA-N 491.420 6.398 50 10 JKGE COc1cccc(CN(C(=O)CCl)[C@@H](C(=O)NC2CCCCC2)c2ccc(Cl)cc2)c1 3035208 BJVVPTPIGVDTQD-HSZRJFAPSA-N 463.405 5.106 50 10 JKGE CCn1c2ccccc2c2cc(/C=N/NC(=O)COc3ccc(C(C)C)cc3Br)ccc21 6286732 ZWDXXJMVZVLNKQ-RWPZCVJISA-N 492.417 6.229 50 10 JKGE C=CCOc1c(Br)cc(Br)cc1/C=C(/C#N)c1nc2cc(C)ccc2[nH]1 16348335 UDXMWUSZHTXTDH-ZSOIEALJSA-N 473.168 6.025 50 10 JKGE O=C(N/N=C/c1c(O)ccc2ccccc12)c1[nH]c2ccc([N+](=O)[O-])cc2c1-c1ccccc1 27520404 OWXYNNDUFMEACT-JFLMPSFJSA-N 450.454 5.366 50 10 JKGE CCOc1c(Br)cc(Br)cc1/C=C(/C#N)C(=O)Nc1ccc([N+](=O)[O-])cc1 33652248 NXOPABOZXQVYIW-GHXNOFRVSA-N 495.127 5.064 50 10 JKGE CC(C)(C)OC(=O)N1CC2=C(OC(N)=C(C#N)[C@H]2c2ccc(F)cc2)/C(=C/c2ccc(F)cc2)C1 33777043 VUJSRXXMQBBATQ-FUAYJARZSA-N 477.511 5.361 50 10 JKGE Cc1ccccc1COc1ccc(/C=C(/C#N)C(=O)Nc2ccccc2I)cc1 35343593 DMQSFFOYVTUZBF-ZHZULCJRSA-N 494.332 5.724 50 10 JKGE C=CCOc1ccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4cccc(OCC)c4)ccc32)cc1 38658212 QEBZTSAAIVCEAT-SANMLTNESA-N 468.509 5.087 50 10 JKGE CC(C)CCOc1cccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)Cc4ccccc4)ccc32)c1 38684744 DJGVRHRUUMIKPN-MUUNZHRXSA-N 468.553 5.478 50 10 JKGE CCCCCOc1ccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4ccccc4OC)ccc32)cc1 38685282 LQLDDJAHRUZJEU-MHZLTWQESA-N 484.552 5.702 50 10 JKGE Cc1ccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4oc5cc(C)ccc5c4C)ccc32)cc1 38686972 SGRDIOAVTYKODI-VWLOTQADSA-N 450.494 5.795 50 10 JKGE Cc1c(C(=O)Oc2ccc3ccccc3c2)oc2c1/C(=N/NC(=O)Cc1ccccc1)CCC2 40815712 MSMSZBPYRBJIIB-BYNJWEBRSA-N 452.510 5.360 50 10 JKGE CCOc1cc(/C=N/NC(=O)c2ccc(-n3c(C)ccc3-c3ccccc3)cc2)c(Cl)cc1OC 59305363 NADWTLQQCZGUMF-UXHLAJHPSA-N 487.987 6.277 50 10 JKGE C#CCOc1c(Br)cc(/C=C(/C#N)C(=O)Nc2ccc(C)cc2)cc1Br 59335224 DQAPBDBIFNPDEM-DHDCSXOGSA-N 474.152 5.078 50 10 JKGE CC(C)c1ccc(N2C(=O)[C@H](Cc3ccc(F)cc3)S/C2=C(/C#N)C(=O)Nc2ccccc2)cc1 101244489 OBGRWJYZXCJEBV-UZEPBSNMSA-N 485.584 6.014 50 10 JKGE Cc1cc(-c2nn(-c3ccccc3)cc2/C=C(/C#N)c2nc3ccccc3s2)ccc1OC(C)C 102679695 QJGYDPDNXNXTQT-JWGURIENSA-N 476.605 7.309 50 10 JKGE C[C@@H]1Cc2cc([C@@H](Br)c3cc(Br)c(Br)s3)ccc2O1 128867756 UZEWQRSHEXLNOO-FUXBKTLASA-N 467.020 6.081 50 10 JKGE Cc1cc(Br)cc([C@@H](Br)c2cc3c(cc2Br)OCCO3)c1 131988426 LTKQULYGSDNXEP-MRXNPFEDSA-N 476.990 5.776 50 10 JKGE Cc1cc([C@H](Br)c2csc3c(Br)cccc23)sc1Br 163394069 VMZPJHFADUQWFH-GFCCVEGCSA-N 481.072 7.281 50 10 JKGE CCCOc1c(Br)cc(/C=N\NC(=O)Nc2ccc(Cl)cc2)cc1OCC 169939541 IDHMWAJHYFPQHW-UUYOSTAYSA-N 454.752 5.446 50 10 JKGE CSc1ccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)/C=C\c4ccc(C)cc4)ccc32)cc1 205655246 IIMDKNYQGDQVFO-GUAXOKFESA-N 454.551 5.554 50 10 JKGE CCOc1ccc([C@@H](Br)c2cc(Cl)ccc2Br)cc1Br 233818799 HTMUVTLHSUXCQO-OAHLLOKOSA-N 483.425 6.748 50 10 JKGE COc1ccc([C@@H](Br)c2cccc(C)c2I)cc1Br 234984183 CICGALXAOYRQBN-CQSZACIVSA-N 495.980 5.855 50 10 JKGE C[C@H](c1ccncc1)[C@@H](Br)c1cc(Br)ccc1I 235247695 LGLJDKZILSZECS-YMTOWFKASA-N 480.969 5.688 50 10 JKGE Cc1csc([C@H](Br)c2cc(Br)c(Br)s2)c1Cl 235947866 MHLIZCCFKABXFF-SSDOTTSWSA-N 465.457 6.781 50 10 JKGE Cc1nn(-c2ccccc2)c(N(C2CCCCC2)C2CCCCC2)c1/C=N/NC(=O)C(F)(F)F 253567476 KCCZJJNWOMZNAH-STBIYBPSSA-N 475.559 5.665 50 10 JKGE C[C@H](Oc1cccc2cccnc12)C(=O)NN=Cc1cn(-c2ccccc2)nc1-c1ccccc1 254344730 ZPXPQIBNZPURNG-FQEVSTJZSA-N 461.525 5.005 50 10 JKGE O=C(NN=C/C(Br)=C\c1ccccc1)c1cc(C23CC4CC(CC(C4)C2)C3)n[nH]1 254379189 BNLQYTNRJQORSM-XSPMOWBXSA-N 453.384 5.029 50 10 JKGE CCCCCCCCOc1ccc(-c2cc(C(=O)NN=C/C=C/c3ccccc3OC)[nH]n2)cc1 254490471 SXILHIMFFYRIBV-QDLULCITSA-N 474.605 6.254 50 10 JKGE Cc1cccc([C@H](Br)c2ccc(Br)cc2)c1I 300470834 DTALLZCINZLBEC-CYBMUJFWSA-N 465.954 5.846 50 10 JKGE Clc1ccsc1[C@H](Br)c1cc(I)cc2c1OCC2 306013155 IMDIQUJTVXTWTI-LLVKDONJSA-N 455.542 5.425 50 10 JKGE COc1ccc(Br)cc1[C@H]1CN(C(=O)OCc2ccccc2)C[C@H]1CBr 382704909 RSWZUEJKXBGQFU-QAPCUYQASA-N 483.200 5.205 50 10 JKGE Cc1cccc(Br)c1[C@@H](Br)c1cc(Br)c(Cl)s1 383932104 CAOPADBIJTVIMZ-NSHDSACASA-N 459.428 6.719 50 10 JKGE Fc1ccc([C@H](Br)c2c(Br)cc(F)c(F)c2F)c(Br)c1 398715886 GNFWTOYOBLUBDY-NSHDSACASA-N 476.887 6.252 50 10 JKGE CC(C)(C)OC(=O)Nc1ccccc1[C@H]1CN(CCO[Si](C)(C)C(C)(C)C)CCCO1 616599718 ZFPDGMDNQUKMKK-OAQYLSRUSA-N 450.696 5.819 50 10 JKGE Cc1cc([C@H](Cl)c2ccc(I)c(Br)c2)sc1Cl 721587761 MGNKRTXRRAQARV-LLVKDONJSA-N 461.977 6.405 50 10 JKGE Cc1c(Cl)cccc1NC(=O)CCC(=O)NN=C(/C=C\c1ccccc1)/C=C\c1ccccc1 725440463 XNJRZIKVQMMOBB-IQRFGFHNSA-N 471.988 6.266 50 10 JKGE Cc1cc(C=NNC(=O)CSCc2ccc([N+](=O)[O-])cc2)c(C)n1-c1cc(Cl)ccc1Cl 1084101724 FSLNPJHZNIRVMJ-UHFFFAOYSA-N 491.400 5.693 50 10 JKGE CC(=NNC(=O)COc1ccc(Br)cc1Cl)c1ccc(-c2ccccc2)cc1 1084133094 AOMKRCWABLTZLF-UHFFFAOYSA-N 457.755 5.689 50 10 JKGE CCCCCCCCCCOc1ccc(C(=O)NN=Cc2ccc3cc4ccccc4cc3c2)cc1 1084214702 ZMONCNALAGOTCK-UHFFFAOYSA-N 480.652 8.276 50 10 JKGE CCOc1ccc([C@H](O)CCC(=O)NN=Cc2ccc(OCc3ccc(F)cc3)c(OCC)c2)cc1 1084236442 LRAGGMLWAOTKFX-RUZDIDTESA-N 494.563 5.166 50 10 JKGE N#CC1=C(N)Oc2c(c(-c3ccccc3)nn2Cc2ccc(Cl)cc2)[C@H]1c1cccc(O)c1 1865681735 VGNIPAOFGCOMIU-QFIPXVFZSA-N 454.917 5.176 50 10 JKGE CCCc1nn(Cc2ccc(F)cc2)c2c1[C@H](c1c(Cl)cccc1Cl)C(C#N)=C(N)O2 1865686030 QLJBGJJRAXGANJ-IBGZPJMESA-N 457.336 5.548 50 10 JKGE CCCc1nn(Cc2c(F)cccc2Cl)c2c1[C@H](c1cc(Cl)ccc1O)C(C#N)=C(N)O2 1865689043 ILKXCTWHPMQMKZ-HXUWFJFHSA-N 473.335 5.254 50 10 JKGE CCCOc1ccc([C@H]2C(C#N)=C(N)Oc3c2c(CCC)nn3Cc2ccc(Cl)c(Cl)c2)cc1 1865692286 AQUYMAPJNNLUCM-QHCPKHFHSA-N 497.426 6.198 50 10 JKGE COc1cc([C@@H]2C(C#N)=C(N)Oc3c2c(C(F)(F)F)nn3-c2ccc(C)cc2)ccc1OC(C)C 1865696399 FTUPCPZYIHJJRX-HXUWFJFHSA-N 484.478 5.214 50 10 JKGE CCCc1nn(-c2ccc(Cl)cc2)c2c1[C@H](c1ccc(OC(C)C)c(OC)c1)C(C#N)=C(N)O2 1865696580 IDCQCSBKQOGJPW-HSZRJFAPSA-N 478.980 5.492 50 10 JKGE CCCc1nn(Cc2ccccc2F)c2c1[C@H](c1ccc(OC(C)C)c(OC)c1)C(C#N)=C(N)O2 1865697391 RBMYQQWUUJPEJQ-XMMPIXPASA-N 476.552 5.037 50 10 JKGE CCCc1nn(-c2ccc(C)cc2)c2c1[C@H](c1cc(Br)ccc1F)C(C#N)=C(N)O2 1865702337 SZAIUJHOZFKFRD-HXUWFJFHSA-N 467.342 5.253 50 10 JKGE CCCc1nn(-c2ccc(Br)cc2)c2c1[C@H](c1ccccc1OC(C)C)C(C#N)=C(N)O2 1865705466 WMEQGHCUIQWPIL-JOCHJYFZSA-N 493.405 5.593 50 10 JKGE Cc1ccccc1-c1nc(Nc2ccc(SC#N)cc2)cc(N2C[C@@H](C)Cc3ccccc32)n1 1868301819 ZOEJVNQYRBDXKG-IBGZPJMESA-N 463.610 7.099 50 10 JKGE CSCC[C@H](/C(O)=C(\C#N)c1nc(-c2ccccc2)cs1)N1C(=O)c2ccccc2C1=O 1872747700 QNAOKWHAASPLSL-HWCXCKHPSA-N 461.568 5.021 50 10 JKGE CC(C)(C)c1ccc(-c2csc(/C(C#N)=C(\O)c3ccccc3C(=O)c3ccccc3)n2)cc1 1872750785 KZUCNWYBUBYSJF-PNHLSOANSA-N 464.590 7.288 50 10 JKGE N#C/C(=C(/O)[C@H](Cc1ccccc1)N1C(=O)c2ccccc2C1=O)c1nc(-c2ccc(F)cc2)cs1 1872752957 AZWJJZUIGNIIKK-JRURIKFDSA-N 495.535 5.649 50 10 JKGE COc1ccc(-c2csc(/C(C#N)=C(\O)CCCCCNC(=O)c3ccccc3)n2)cc1Cl 1872757431 FTKKGSIRYGQDQY-QOCHGBHMSA-N 482.005 6.255 50 10 JKGE CCOc1ccc(/C=C(\C#N)c2nc(-c3ccc(Br)cc3)cs2)cc1OCC 1872781226 ZGMWRSFQJFTATD-GZTJUZNOSA-N 455.377 6.434 50 10 JKGE CCCCCOc1ccc(/C=C(\C#N)c2nc(-c3ccc(Cl)cc3)cs2)cc1OCC 1872789954 ALECIMUZYCOTEA-XSFVSMFZSA-N 453.007 7.495 50 10 JKGE CC[C@H](C)[C@H](/C(O)=C(\C#N)c1nc(-c2cccc([N+](=O)[O-])c2)cs1)N1C(=O)c2ccccc2C1=O 1873940729 FAGARHMUTLNAEL-RRICSCRSSA-N 488.525 5.222 50 10 JKGE Cc1sc(CBr)cc1S(=O)(=O)N(Cc1ccccc1)Cc1ccccc1 1880809456 IRZXQWWDDRFYIU-UHFFFAOYSA-N 450.423 5.343 50 10 JKGE Brc1cc(C[C@@H]2CCC[C@H](Br)C2)ccc1I 1904328752 GEPBCWYZEWXWAB-ONGXEEELSA-N 457.975 5.550 50 10 JKGE Clc1ccc(C[C@@H](Br)c2ccc(I)c(Cl)c2)nc1 1918240401 VQRKEUJSHFZAGW-LLVKDONJSA-N 456.936 5.672 50 10 JKGE Cc1c(Br)sc([C@H](Br)C[C@@H]2CCCOCC2)c1Br 1922930002 NZFCSAZJHZTPHM-NXEZZACHSA-N 461.057 6.224 50 10 JKGE Cc1cc(Br)ccc1[C@H](Cl)c1sc(Br)c(C)c1Br 1922940662 LUHXPJFUIYRUAD-NSHDSACASA-N 473.455 6.981 50 10 JKGE Cc1c(Br)sc([C@H](Br)[C@H]2CCCCC2(F)F)c1Br 1922955367 YPBIXLXCFJEJDJ-VXNVDRBHSA-N 467.011 6.843 50 10 JKGE COc1ccc(C[C@@H](Br)c2c(Br)sc(Br)c2Cl)cc1 1923068015 LSAHDBSZSLAORW-SECBINFHSA-N 489.454 6.614 50 10 JKGE CCC(C)(C)[C@@H](Br)c1c(Br)sc(Br)c1Br 1924576605 PYOAPYNCWUFGKT-ZETCQYMHSA-N 483.889 6.908 50 10 JKGE O=C(NC[C@@H]1CCC2(CCC2)[C@@H]1Br)c1csc(Br)c1Br 1924800723 XBHGPVVWLMROOG-GZMMTYOYSA-N 486.067 5.347 50 10 JKGE CCn1ncc(Br)c1[C@H](Cl)c1c(Cl)sc(Br)c1Cl 1925545575 GTWXTXHXRBBRRE-ZCFIWIBFSA-N 453.414 6.125 50 10 JKGE C[C@H]1COc2ccc([C@@H](Br)c3cc(Br)c(Br)s3)cc21 1925718036 BKUYOLKXLRHAEV-WPPNPWJKSA-N 467.020 6.253 50 10 JKGE O=C(O)[C@@H]1CCN(C(=O)OCC2c3ccccc3-c3ccccc32)[C@@H]1CCCC[C@@H]1CCSS1 1952785769 FPMJLZAHSGJYAX-DVKBMCPXSA-N 497.682 6.425 50 10 JKGE Clc1c(Br)sc(Br)c1[C@H](Br)[C@H]1[C@H]2COC[C@H]21 1982233698 YJOAEMRAHFLIRE-LPWFLVPJSA-N 451.405 5.255 50 10 JKGE FC(F)(F)CC1([C@H](Br)c2cc(Br)sc2Br)CCC1 2034505503 YTDVLYOCZVIPRR-MRVPVSSYSA-N 470.974 6.832 50 10 JKGE Cc1cc([C@@H](Br)c2cc(C)c(Br)cc2C)c(Br)s1 2039503401 PDYQEIAYLLBNQC-ZDUSSCGKSA-N 453.037 6.683 50 10 JKGE Cc1cc(Br)c(CBr)c(N(C)Cc2nccn2Cc2ccccc2)c1 2053220173 WVORFUBLFCIDOL-UHFFFAOYSA-N 463.217 5.534 50 10 JKGE FC(F)(F)c1c(Br)c(CBr)nn1-c1cc(C2CCCC2)ccn1 2078908480 BCDFQSCGSCTDJW-UHFFFAOYSA-N 453.100 5.601 50 10 JKGE Cc1cc(Cl)c(Br)cc1[C@@H](Br)c1cc(C)c(Br)s1 2082376019 CVUJMYLLSULAJB-GFCCVEGCSA-N 473.455 7.028 50 10 JKGE C[C@@H](Br)CC(C)(C)CNC(=O)c1c(Br)cccc1Br 2094091196 QCCSPCMMBXRSGS-SECBINFHSA-N 456.016 5.141 50 10 JKGE FC1(F)C[C@]12CC[C@@H]([C@@H](Br)c1c(Br)sc(Br)c1Cl)C2 2099915929 PKTHQFRVTGNXSR-DEHACQHWSA-N 499.440 7.188 50 10 JKGE Cc1c(Br)sc([C@H](Br)c2ccc(C(F)F)cc2)c1Br 2116023454 BFOSGMJVYBFNRJ-SNVBAGLBSA-N 474.990 7.003 50 10 JKGE CCCOc1ccc([C@@H](Br)c2cc(Br)sn2)cc1Br 2120037625 DPYWSXNEMDRQHC-CYBMUJFWSA-N 470.024 5.941 50 10 JKGE CC1(C)CC[C@H](Br)[C@@H](Cc2cc(Br)ccc2Br)CC1 2122944643 MQICNZWRUBMWGH-ABAIWWIYSA-N 453.056 6.734 50 10 JKGE CO[C@@H]1C[C@H]([C@@H](Br)c2sc(Br)c(C)c2Br)C12CCC2 2133847709 RFCOAJHGWDICLO-FXPVBKGRSA-N 473.068 6.223 50 10 JKGE Clc1c(Br)sc(Br)c1[C@@H](Br)[C@@H]1C[C@H]1c1ccccc1 2135275647 DPELMOBGZWKTFV-NGZCFLSTSA-N 485.466 7.166 50 10 JKGE Cc1c(Br)ccc([C@H](Br)C2C[C@@H](C)O[C@H](C)C2)c1Br 2138866471 UHHXNQALYMRMQN-KEMUVXCRSA-N 455.028 6.160 50 10 JKGE Clc1ccc(I)c(CN2CCCC[C@@H]2CCCBr)c1 2141708343 OLEYGNYEUFNALP-CQSZACIVSA-N 456.593 5.474 50 10 JKGE F[C@]12CCC[C@]1(CBr)CN(Cc1cccc(Br)c1Br)C2 2176634504 CXJHRCBEZYVYQQ-GJZGRUSLSA-N 470.018 5.301 50 10 JKGE Cc1ccc(C)c([C@H](Br)c2c(C)c(Br)cc(C)c2Br)c1 2201074343 RFBNWMZTHLLPQX-KRWDZBQOSA-N 461.035 6.930 50 10 JKGE BrCc1cc(Br)cc(Br)c1OC[C@H]1CCC2(CC2)CO1 2205243834 PAXIBRLZTDJUIV-GFCCVEGCSA-N 469.011 5.445 50 10 JKGE Cc1cc(Br)ccc1[C@H](Br)c1sc(Br)c(C)c1C 2218789777 JGQQQFSBIHUZGG-LBPRGKRZSA-N 453.037 6.683 50 10 JKGE Cc1sc([C@@H](Br)c2sc(Br)c(C)c2C)c(C)c1Br 2218966677 ZQSQIEPDDYZUDG-JTQLQIEISA-N 473.093 7.053 50 10 JKGE BrC[C@@H](Cc1ccc(Br)cc1)Cc1ncsc1Br 2219011451 UCQLIERFAPVCIE-JTQLQIEISA-N 454.025 5.464 50 10 JKGE Cc1cc(Br)c([C@H](Br)c2cc(F)c(Br)cc2F)s1 2221833601 CJRSVVDQFLBXQC-LLVKDONJSA-N 460.963 6.344 50 10 JKGE CCc1nn(C)c([C@H](Br)c2cc(Br)c(Br)s2)c1Cl 2224019956 FDNLFPWEOYIVOB-MRVPVSSYSA-N 477.447 5.707 50 10 JKGE C[C@]1([C@@H](Br)c2cc(Br)c(Br)cc2F)CCCC(F)(F)C1 2233976627 PRLVEMRIJQYKEF-STQMWFEESA-N 478.972 7.002 50 10 JKGE Cc1cc(Br)c([C@H](Br)[C@@H]2OC[C@H]3CCC[C@@H]32)c(C)c1Br 2235614234 GIPQLHIZDCCZDZ-LZJQFABFSA-N 467.039 6.080 50 10 JKGE COc1cc(Br)c([C@@H](Br)c2ccc(Cl)cc2Br)cc1C 2236008815 NJMNNXCVHPTLHV-HNNXBMFYSA-N 483.425 6.666 50 10 JKGE Cc1cc(Br)ccc1[C@H](Br)c1c(F)cc(F)c(Br)c1F 2236108300 GUBKQHZLPIZLLS-LBPRGKRZSA-N 472.924 6.422 50 10 JKGE CCc1nc([C@H](Br)c2c(F)cc(F)c(Br)c2F)c(Br)s1 2236111718 QLYUSCSAYWLLAJ-SECBINFHSA-N 493.968 6.132 50 10 JKGE CCN(C[C@](C)(CI)OCCCCCC(C)C)C(=O)OC(C)(C)C 2248812145 PPSTYQFVMHOSKX-IBGZPJMESA-N 455.421 5.670 50 10 JKGE Cc1sc([C@@H](Br)c2c(F)cccc2Br)c(Br)c1C 2253505011 OJGVMIMWAZUFEO-LBPRGKRZSA-N 457.000 6.513 50 10 JKGE Cc1c(Br)sc([C@H](Br)[C@@]23CCCC[C@H]2CC3)c1Br 2260513492 UTLPWMMBVPTMAA-DUFXMDAXSA-N 457.069 6.988 50 10 JKGE CN(Cc1ccccc1I)c1ccc(CBr)c(Cl)c1 2265545980 NAEJLDDAVNWVPO-UHFFFAOYSA-N 450.545 5.476 50 10 JKGE CCc1cc([C@@H](Br)c2cc(F)c(Br)cc2Cl)sc1Br 2267757610 KRPHMUXDEJCKKL-LBPRGKRZSA-N 491.445 7.112 50 10 JKGE CCc1ccc([C@@H](Br)c2c(F)cc(Br)c(F)c2Br)o1 2272727348 SUAVVYOZLZWOFT-LLVKDONJSA-N 458.922 6.130 50 10 JKGE COc1c(Br)cc(Cl)c(C)c1[C@@H](Br)c1ncsc1Br 2277888130 KIFZEEJNTKVGRS-SECBINFHSA-N 490.442 6.123 50 10 JKGE Brc1cc(Br)cc(C[C@H](Br)[C@@H]2C[C@@]23CCCOC3)c1 2277954318 DFFYKTNLSDJVBO-SOUVJXGZSA-N 453.012 5.334 50 10 JKGE Clc1ccc(Br)cc1[C@@H](Cl)Cc1cc(Br)cc(Br)c1 2277955154 HHPRDRLRIADOJN-AWEZNQCLSA-N 487.844 7.150 50 10 JKGE Clc1c(Br)sc(Br)c1[C@H](Cl)c1ccc2scnc2c1 2278618697 KYNBYBAEJSDKRA-SECBINFHSA-N 458.027 6.864 50 10 JKGE Cc1cc(Cl)c(Br)cc1[C@@H](Br)c1cc(F)c(Br)cc1F 2282089862 GZRZRBMSDGNWPJ-CQSZACIVSA-N 489.379 6.936 50 10 JKGE COc1cccc([C@@H](Br)c2cc(Br)c(C)cc2Br)c1Cl 2283559634 MQRVFXNVUCFOPW-CQSZACIVSA-N 483.425 6.666 50 10 JKGE Cc1cc(Br)c([C@@H](Cl)c2ccc(Cl)c(I)c2)c(C)c1F 2283581584 HTSUYNFJEDGARL-AWEZNQCLSA-N 487.965 6.791 50 10 JKGE COc1ccc([C@H](Br)C(F)(F)C2CCCCC2)cc1I 2285000051 ANFNUWNSDBGXPO-AWEZNQCLSA-N 459.112 5.951 50 10 JKGE BrC[C@@H](CCc1ccccc1)Cc1c(Br)cccc1Br 2286757470 MZYOQGDMIMWOQJ-AWEZNQCLSA-N 461.035 6.398 50 10 JKGE C[C@@H](Br)CN(CC(C)(C)C)C(=O)c1c(Br)cccc1Br 2288078054 HTIHJVUOARVCNN-SNVBAGLBSA-N 470.043 5.483 50 10 JKGE Fc1cc(Br)c(F)c(Br)c1[C@H](Br)Cc1ccccc1Cl 2288348091 BJPILRVAORZKCJ-MRVPVSSYSA-N 489.379 6.822 50 10 JKGE Fc1cc(Br)c(F)c(Br)c1[C@@H](Cl)c1cccc(Cl)c1Cl 2288497170 PVYRQUYBPGWINI-LBPRGKRZSA-N 465.346 7.125 50 10 JKGE CCOc1cc(C=C(C#N)c2ccc([N+](=O)[O-])cc2)ccc1OCCOc1ccccc1OC 2294732723 GVYSAWPLVVZXSI-UHFFFAOYSA-N 460.486 5.524 50 10 JKGE N#CC(=Cc1ccc(OCCOc2ccc(C3CCCCC3)cc2)cc1)C(=O)Nc1ccccc1 2295172625 MXDSCERRLXUTHS-UHFFFAOYSA-N 466.581 6.738 50 10 JKGE N#CC(=Cc1cccc(OC(=O)c2cccc3ccccc23)c1)C(=O)Nc1ccccc1C(F)(F)F 2295459787 YFOWCQJLESWMJJ-UHFFFAOYSA-N 486.449 6.623 50 10 JKGE N#CC(=CNc1ccc(Cl)c(C(F)(F)F)c1)c1nc(-c2cccc(Br)c2)cs1 2296800537 DWIMSAHLAGEYBK-UHFFFAOYSA-N 484.728 7.221 50 10 JKGE CCc1ccccc1NC(SCc1c(F)cccc1Cl)=C(C#N)S(=O)(=O)c1ccccc1 2297350057 QWLZPHASQCLCOZ-UHFFFAOYSA-N 487.021 6.553 50 10 JKGE COc1ccc(C=C(C#N)C(=O)Nc2ccc(C34C[C@H]5C[C@@H](CC(c6ccccc6)(C5)C3)C4)cc2)cc1 2297539176 HPSZZOQVGQTYCK-ROBJCOJCSA-N 488.631 7.030 50 10 JKGE CC(C)(C1CCC1)[C@@H](Br)c1ccc(OCc2ccccc2)cc1Br 2299501075 KXJVROUMNJYROF-FQEVSTJZSA-N 452.230 7.290 50 10 JKGE COc1cscc1[C@@H](Br)c1cc(Br)ccc1OCc1ccccc1 2299505013 SCWHWKDWMLYYLA-IBGZPJMESA-N 468.210 6.583 50 10 JKGE Cn1ncc(Cl)c1[C@@H](Br)c1cc(Br)ccc1OCc1ccccc1 2299528469 RVVPHWULNGUJHO-KRWDZBQOSA-N 470.592 5.899 50 10 JKGE CCOC(O)=C(C#N)[C@@H](c1ccccc1)[C@H](C(=O)Nc1ccc(Br)cc1)[n+]1ccccc1 2313501714 RJVXZOZSUZGBPQ-DHIUTWEWSA-O 493.381 5.030 50 10 JKGE C#CCOc1c(Br)cc(C=C(C#N)C(=O)Nc2cccc(Cl)c2Cl)cc1OC 2313570952 JWLUOTMCZZWHFB-UHFFFAOYSA-N 480.145 5.322 50 10 JKGE CCOc1c(Br)cc(C=C(C#N)C(=O)Nc2ccc(Cl)c(Cl)c2)cc1OC 2313630650 CUYKMSLBAUCWIW-UHFFFAOYSA-N 470.150 5.709 50 10 JKGE COc1ccc(CN2C(=O)C(=Cc3ccc(OCc4ccccc4)cc3)C(C)=C(C#N)C2=O)cc1 2314617452 YREZELKZXXTQDQ-UHFFFAOYSA-N 464.521 5.067 50 10 JKGE CCCCNC(=O)C(C#N)=Cc1ccc(OC(=O)c2ccccc2CCc2ccccc2)cc1 2314776812 AHTONVWUOXFCEL-UHFFFAOYSA-N 452.554 5.514 50 10 JKGE Fc1c(Br)cc(Cl)c([C@H](Br)[C@@H]2[C@H]3CCC[C@H]32)c1Br 2315445717 AABAAMFLJJNZTN-DWCSTSAWSA-N 461.394 6.486 50 10 JKGE COc1cc([C@@H](Cl)c2c(Br)sc(Br)c2Cl)sc1Cl 2317958014 SSORUTVWHKDTTJ-ZCFIWIBFSA-N 471.450 6.978 50 10 JKGE CCc1ccc([C@H](C)NC(=O)C(C#N)=CNc2ccc(-c3nc4ccc(C)cc4s3)cc2)cc1 2318462556 LFXQYOYJSMNYOK-IBGZPJMESA-N 466.610 6.531 50 10 JKGE COc1ccc(C=C(C(=O)NNC(=O)CCCSc2ccc(C)cc2)c2ccccc2)cc1 2321068596 RIUYZMKMUYEXSN-UHFFFAOYSA-N 460.599 5.264 50 10 JKGE CCc1ccc(-c2ccc(C(=O)NN=Cc3ccc(OCc4ccccc4)c(OC)c3)c(C)n2)cc1 2321240860 GKEGUVAOOKRIOL-UHFFFAOYSA-N 479.580 5.971 50 10 JKGE N#CC(=C(O)CCCOc1ccccc1Cl)c1nc(-c2ccc3c(c2)CCCC3)cs1 2331239917 URXZAVZBNQVFMP-UHFFFAOYSA-N 450.991 6.994 50 10 JKGE CCOc1ccc(-c2csc(C(C#N)=C(O)c3ccc4c(c3)C(=O)N(C3CCCCC3)C4=O)n2)cc1 2331305194 BMGSONLVECQKMR-UHFFFAOYSA-N 499.592 6.087 50 10 JKGE COc1c(Cl)cc(Cl)cc1-c1csc(C(C#N)=C(O)CNC(=O)c2ccccc2)n1 2331364233 VNFRCJFWDMVXQW-UHFFFAOYSA-N 460.342 5.348 50 10 JKGE CCCOc1ccc(CC(O)=C(C#N)c2nc(-c3cc(OCC)ccc3OCC)cs2)cc1 2331376123 IRVBXPXAVOAFET-UHFFFAOYSA-N 464.587 6.432 50 10 JKGE COc1cc(Cl)c(C)cc1-c1csc(C(C#N)=C(O)c2ccc3nc(C)c(C)nc3c2)n1 2331390120 KOUQARFBTXVRND-UHFFFAOYSA-N 462.962 6.290 50 10 JKGE CCCOc1ccc(CC(O)=C(C#N)c2nc(-c3cc(Cl)cc(C)c3OC)cs2)cc1 2331392135 TZGFHRDXVLIYMK-UHFFFAOYSA-N 454.979 6.605 50 10 JKGE FC1(F)[C@@H]2CC[C@@H]([C@H](Br)Cc3cc(Br)cc(Br)c3)[C@@H]21 2335066369 GQQBBZWOTNRWGH-LOWDOPEQSA-N 458.966 5.809 50 10 JKGE Fc1c(Br)cc(Cl)c([C@H](Br)[C@H]2C[C@@H]2C(F)(F)F)c1Br 2337084089 HHDVBNGEDLMMTN-MSIVUJLLSA-N 489.326 6.639 50 10 JKGE CC[C@@]1([C@H](Br)c2c(Cl)cc(Br)c(F)c2Br)CC1(F)F 2337110852 FTMMBBUQHSXOIL-MNOVXSKESA-N 485.363 6.876 50 10 JKGE Cc1cc(F)c(CCl)c(Oc2cc(Br)cc(I)c2)c1 2338756873 DOZKWNQIVSPAHO-UHFFFAOYSA-N 455.492 6.032 50 10 JKGE COc1c(Br)cc(C)c([C@@H](Br)[C@@H]2C[C@H]2C(F)F)c1Br 2339675645 SEGJMESDQHOYFZ-XSSZXYGBSA-N 462.954 5.866 50 10 JKGE COc1c(Br)cc(C)c([C@@H](Br)C2(C(F)F)CC2)c1Br 2339689206 CEGPOBNHQWIMEP-LLVKDONJSA-N 462.954 6.010 50 10 JKGE FC1(F)[C@@H]2CC(CBr)(Cc3ccc(Cl)cc3I)C[C@H]21 2341051655 QIDWEEUCLYPMJP-GHMZBOCLSA-N 461.515 5.544 50 10 JKGE Cc1cc(OCc2cc(I)ccc2Br)cc(CCl)n1 2341781192 WWLXURFGNMAVKV-UHFFFAOYSA-N 452.517 5.075 50 10 JKGE Clc1cc(Br)c(C[C@@H](CBr)Cc2ccccc2Br)s1 2346065461 BCKMEIDRWUNGNU-VIFPVBQESA-N 487.482 6.723 50 10 JKGE Fc1cc(Cl)c(Br)c(Cl)c1[C@H](Br)CC1CC(C(F)F)C1 2360480582 BVAXIXKODCBAEP-KPGICGJXSA-N 454.939 7.012 50 10 JKGE CC(C)[C@@H]1CCC[C@@H]1[C@@H](Br)c1c(Cl)cc(Br)c(F)c1Br 2362239737 MRIOZROWXWJADN-MWODSPESSA-N 491.464 7.512 50 10 JKGE Cc1c(Br)sc([C@H](Br)c2cc(F)ccc2C(F)F)c1Br 2363672323 BNJICVQSFWCRTN-SNVBAGLBSA-N 492.980 7.143 50 10 JKGE Cc1cc(Br)c(F)c(Br)c1[C@H](Br)C[C@@H]1CCC[C@H]2C[C@@H]12 2365190300 DBJAKWPKDDMPMZ-NNYUYHANSA-N 469.030 6.921 50 10 JKGE Cc1cc(Br)c(F)c(Br)c1[C@H](Br)[C@H]1CC12CC(F)(F)C2 2365193077 GBOTYICNXGDFII-GMSGAONNSA-N 476.956 6.531 50 10 JKGE COc1c(Br)cc(C)c([C@H](Br)[C@@H]2C(C)(C)C2(F)F)c1Br 2365236020 NAZYWSHOTDSPBP-CMPLNLGQSA-N 476.981 6.256 50 10 JKGE Brc1cccc([C@@H](Br)c2cc3c(cc2Br)OCCC3)c1 2369615871 MPOVJMCCNLJSMG-MRXNPFEDSA-N 460.991 6.021 50 10 JKGE CCc1cc(Br)c(OC)c([C@H](Br)c2cccc(OCc3ccccc3)c2)c1 2381252833 DNKJMBGQMSATRF-JOCHJYFZSA-N 490.235 7.083 50 10 JKGE N#C/C(=C/c1cccc2ccccc12)C(=O)Nc1ncc(Cc2cccc(Cl)c2Cl)s1 2553437 TWTOMMVXUJUADX-WQRHYEAKSA-N 464.377 6.740 50 10 JKGE O=C(NNC(=S)NC(=O)c1sc2ccccc2c1Cl)c1ccc(-c2ccccc2)cc1 12502470 WHTOQSYUWFOLFX-UHFFFAOYSA-N 465.987 5.171 50 10 JKGE O=C(CCCOc1ccc(Cl)cc1Cl)N/N=C/c1c2ccccc2cc2ccccc12 12577745 WFXDWZTXTIGVCB-LQKURTRISA-N 451.353 6.609 50 10 JKGE O=C(CCC(=O)Nc1ccc(Cl)cc1Cl)N/N=C/c1ccc(OCc2ccccc2)cc1 12580988 ZBMFGLXYDTUNRY-JFLMPSFJSA-N 470.356 5.441 50 10 JKGE O=C(N/N=C(/C=C/c1ccccc1[N+](=O)[O-])c1ccccc1)c1ccc(Br)cc1 20074298 RUZVUGBWXCETST-VTWWSLAJSA-N 450.292 5.205 50 10 JKGE N#C/C(=C/c1ccc(N2N=C(c3ccccc3)C[C@@H]2c2ccccc2)cc1)C(=O)NCc1ccco1 33568734 QSRPHMJOAUIOQQ-RJQPNXBESA-N 472.548 5.859 50 10 JKGE N#C/C(=C\c1ccc(I)cc1)c1nc(-c2cc3ccccc3oc2=O)cs1 33779716 HVNNJCFUBMMINB-OQLLNIDSSA-N 482.302 5.585 50 10 JKGE COc1ccc(-c2nn(-c3ccccc3)cc2/C=C(\C#N)C(=O)Nc2ccc3ccccc3c2)cc1 35518848 OHZPQCOVVOTBGR-JJIBRWJFSA-N 470.532 6.247 50 10 JKGE Cc1ccc(N2C(=O)CS[C@H]2c2cccc(NC(=O)[C@@H](Cl)c3ccccc3)c2)cc1F 35928632 VFGKFAFAJJTNDR-UPVQGACJSA-N 454.954 5.831 50 10 JKGE CC(C)Oc1ccc(C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@@H]3c2ccc(C(C)(C)C)cc2)cc1 38649786 GCARYTSXPGFDND-HHHXNRCGSA-N 482.580 6.209 50 10 JKGE Cc1cccc(C)c1OCC(=O)Oc1ccc2c(c1)OC(N)=C(C#N)[C@H]2c1cccc2ccccc12 38657795 XMRAVHOKLFRBMO-NDEPHWFRSA-N 476.532 5.659 50 10 JKGE O=C(NNc1ncnc(Nc2cc(C(F)(F)F)ccc2Cl)c1[N+](=O)[O-])c1ccc(Cl)cc1 40583282 ZFBCEHLQUSQTQD-UHFFFAOYSA-N 487.225 5.211 50 10 JKGE O=C(NNc1ncnc(Nc2ccc(Cl)c(Cl)c2)c1[N+](=O)[O-])c1ccc(Cl)cc1Cl 40591533 QSTXVGDOLXKOEB-UHFFFAOYSA-N 488.118 5.499 50 10 JKGE Cc1cc(OC(=O)c2oc3c(c2C)/C(=N/NC(=O)c2ccccc2Cl)CCC3)ccc1Cl 40812776 UMIWRLPNVAYOCZ-ZXVVBBHZSA-N 471.340 5.893 50 10 JKGE Cc1ccc(CNC(=O)c2oc3c(c2C)/C(=N/NC(=O)Cc2coc4cc(C)cc(C)c24)CCC3)cc1 40826844 RSNVMZVEILCEFR-AWSUPERCSA-N 497.595 5.589 50 10 JKGE CCOc1cc(/C=N\NC(=O)CC[C@H](O)c2ccccc2)cc(Cl)c1OCc1ccccc1F 58891378 BJIPMFLIQAQBIQ-XZJBEKIMSA-N 484.955 5.421 50 10 JKGE Cc1nn(Cc2ccccc2Cl)c(C)c1/C=N/NC(=O)CSCc1ccc(Cl)cc1 59167062 AQYFZHLOLDDFBF-OPEKNORGSA-N 461.418 5.239 50 10 JKGE C=CCc1cc(/C=N/NC(=O)c2cc3ccccc3o2)cc(OCC)c1OCc1ccccc1C#N 59303830 MXBUDTFSQIERNZ-FDAWAROLSA-N 479.536 5.775 50 10 JKGE O=C(COc1ccc(Cl)cc1)N/N=C/c1ccc(SCC(=O)Nc2ccc3ccccc3c2)o1 59391561 VLVRVXAHGYHFNU-MZJWZYIUSA-N 493.972 5.346 50 10 JKGE CC(=O)c1cccc(-c2ccc(/C=N/NC(=O)c3ccc(-n4c(C)ccc4-c4ccccc4)cc3)o2)c1 59679811 HILNWIGGSDKNQD-UZWMFBFFSA-N 487.559 6.679 50 10 JKGE ClCc1cc(Br)cnc1Oc1ccc(Br)cc1Br 84409137 SIONIRBVOBHANZ-UHFFFAOYSA-N 456.359 5.900 50 10 JKGE Cc1cc(C)c(OCC(=O)N/N=C/c2ccc(-c3ccc(Cl)cc3Cl)o2)c(Br)c1 97136631 YZEOAQAJBPTLMS-KIBLKLHPSA-N 496.188 6.162 50 10 JKGE CCOC(=O)/C(C#N)=C1/S[C@@H](Cc2cccc(Cl)c2)C(=O)N1c1ccc(Br)cc1 102974645 VGWIQMDQZYYGSL-ONZPZFSWSA-N 491.794 5.092 50 10 JKGE Cc1c(NC(=O)/C(C#N)=C\c2ccc(-c3cccc(Cl)c3Cl)o2)c(=O)n(-c2ccccc2)n1C 107991085 POUOBHCOZQYEJM-SSZFMOIBSA-N 493.350 5.597 50 10 JKGE CCOc1ccc([C@@H](Br)Cc2ccc(Cl)c(Cl)c2)c(Br)c1 123746485 JYLZZDYXGADDAB-ZDUSSCGKSA-N 453.001 6.833 50 10 JKGE FC(F)(F)c1cc([C@H](Br)c2ccc(Br)cc2)ccc1Br 124608256 FKWRLPAUFADCGJ-CYBMUJFWSA-N 472.924 6.715 50 10 JKGE COc1cc(Br)c([C@@H](Br)c2ccc(Br)c(Cl)c2)cc1OC 129168226 VPRREYAGEPPAMS-HNNXBMFYSA-N 499.424 6.367 50 10 JKGE Fc1ccc(CC(CBr)(CBr)c2ccccc2Br)cc1F 149988180 KVNPECKCUYOGLM-UHFFFAOYSA-N 482.988 5.998 50 10 JKGE Brc1ccc(Br)c([C@@H](Br)Cc2cccc3ccccc23)c1 161182842 JDGQTWPAVOUDQU-SFHVURJKSA-N 469.014 7.044 50 10 JKGE CCOc1cc(/C=N\NC(=O)Cc2ccccc2)ccc1OCc1c(Cl)cccc1Cl 169900857 IAKWBQUPOIDJBP-DICXZTSXSA-N 457.357 5.664 50 10 JKGE COc1cc(/C=C(/C#N)c2nc(-c3cccs3)cs2)ccc1OCc1cc(C)ccc1C 169939267 ZORMOGZCLLZCDS-NDENLUEZSA-N 458.608 7.140 50 10 JKGE C[C@]12C[C@H](O[Si](C)(C)C)[C@H]3[C@@H](CC[C@@H]4C[C@H](O[Si](C)(C)C)CC[C@]34C)[C@@H]1CCC2=O 196703500 SVZGBEADGIZYEM-BWHYSAMPSA-N 450.812 6.648 50 10 JKGE CC(C)(C)c1ccc([C@H](Br)c2cc(Cl)ccc2I)cc1 232512037 NEYYBEGYDXBVDP-INIZCTEOSA-N 463.584 6.726 50 10 JKGE Clc1ccc(I)c([C@@H](Br)Cc2nc3ccccc3o2)c1 236083885 APWXZHLMFKZSHK-NSHDSACASA-N 462.512 5.765 50 10 JKGE Fc1cc([C@H](Cl)c2cc(Br)cc(Br)c2)c(F)cc1Br 236239337 CKLINXKADHOFBL-CYBMUJFWSA-N 475.352 6.581 50 10 JKGE COc1cccc(CN(C(=O)CCl)[C@H](C(=O)N[C@@H]2CCC[C@H](C)[C@H]2C)c2ccc(F)cc2)c1 252586460 QEBWVOUNMHLUBH-GAYMAQTPSA-N 475.004 5.084 50 10 JKGE CC(=NNC(=O)c1ccc(Br)s1)c1cccc(NC(=O)c2ccccc2F)c1 252623286 ONYQVAQTLYOQEA-UHFFFAOYSA-N 460.328 5.056 50 10 JKGE COc1cc(C=NNC(=O)COc2ccc(C)cc2C)ccc1OCc1ccccc1Cl 256017204 HFCDPJUOGMVDST-UHFFFAOYSA-N 452.938 5.074 50 10 JKGE Cc1ccc(CSc2nnc(SCC(=O)NN=Cc3ccc(-c4ccccc4)cc3)s2)cc1 263627895 YEOSNYFOBAYCDU-UHFFFAOYSA-N 490.679 6.048 50 10 JKGE CCC[C@@H](CC(C)C)[C@@H](Br)c1cc(I)cc2c1OCC2 308020339 JJRNVOSLZXTPFR-BLLLJJGKSA-N 451.186 6.125 50 10 JKGE Fc1ccc(Br)cc1[C@H](Br)c1scc(C(F)(F)F)c1Br 312951611 KQZXUTYZDIGIPB-VIFPVBQESA-N 496.943 6.915 50 10 JKGE Cc1cc(C)c([C@H](Br)c2ccc(Br)cc2Cl)c(C)c1Br 380047308 PNHNBPHAKLLUHZ-MRXNPFEDSA-N 481.453 7.275 50 10 JKGE Cl[C@@H](c1cc2c(cc1Br)OCCCO2)c1sccc1I 380871548 OUPGOZWZZRNRFL-ZDUSSCGKSA-N 485.568 5.605 50 10 JKGE BrCc1cc(Br)c(OCCC2CCOCC2)c(Br)c1 394123063 XKORDTVOISQXOI-UHFFFAOYSA-N 457.000 5.302 50 10 JKGE Cc1ccc([C@@H](Br)c2c(Br)cc(F)c(F)c2F)c(Br)c1 398653298 CCRDVDOZBSGXNE-GFCCVEGCSA-N 472.924 6.422 50 10 JKGE Cc1cc(C)c([C@H](Br)c2nn(C)cc2Br)c(C)c1Br 693121096 HEFBGQBKZSPZDX-ZDUSSCGKSA-N 451.000 5.355 50 10 JKGE CC1(C)[C@@H](OCc2ccccc2)C[C@@H]1n1c(CCl)nc2cc(I)ccc21 718056013 PBZIVIJNLNXUDU-OALUTQOASA-N 480.777 5.936 50 10 JKGE C[C@H](COCc1ccccc1)COc1c(Br)cc(Cl)cc1CBr 719401103 XTIIFNWBUTYAHC-CYBMUJFWSA-N 462.609 6.229 50 10 JKGE Clc1cc(Br)c(OCc2sncc2Br)c(CBr)c1 719819981 WSGVAWWNUPQGPC-UHFFFAOYSA-N 476.415 5.795 50 10 JKGE O=C(N[C@@H]1CCc2ccccc21)[C@H](c1cccs1)N(C(=O)CCl)c1cccc(C(F)(F)F)c1 725238688 WJALURBIZZAUQT-KNQAVFIVSA-N 492.950 5.884 50 10 JKGE Cc1ccc(NC(=O)C(=O)NN=Cc2cc(C)n(-c3ccc(Cl)c(Cl)c3)c2C)cc1C 725444486 MIKQBGGOPXERPN-UHFFFAOYSA-N 457.361 5.107 50 10 JKGE C(=Nc1cccs1)c1ccc(N=P(c2ccccc2)(c2ccccc2)c2ccccc2)cc1 886010659 GUMYUMYHQWHAOZ-UHFFFAOYSA-N 462.558 7.308 50 10 JKGE N#C/C(=C\c1ccc(OCc2ccc([N+](=O)[O-])cc2)cc1)C(=O)Nc1cccc(Cl)c1Cl 1084234743 DTKNHCOLBIBRPX-SFQUDFHCSA-N 468.296 6.026 50 10 JKGE N#CC1=C(N)Oc2c(c(-c3ccccc3)nn2-c2ccccc2Cl)[C@@H]1c1ccc(Cl)cc1Cl 1865686177 RLXAYSULIIGRTB-OAQYLSRUSA-N 493.781 6.718 50 10 JKGE N#CC1=C(N)Oc2c(c(C(F)(F)F)nn2-c2cccc3ccccc23)[C@@H]1c1cc(Cl)ccc1O 1865688763 ACKAYXOMXOTDDQ-LJQANCHMSA-N 482.849 5.621 50 10 JKGE CCOc1cccc([C@H]2C(C#N)=C(N)Oc3c2c(C(F)(F)F)nn3-c2ccc(Cl)cc2)c1 1865689526 BHCHRFHBHNPJDB-KRWDZBQOSA-N 460.843 5.161 50 10 JKGE Cc1ccc(-n2nc(-c3ccccc3)c3c2OC(N)=C(C#N)[C@@H]3c2cn(C)c3ccccc23)cc1 1865698746 BSBUHTINSAVAQD-RUZDIDTESA-N 457.537 5.558 50 10 JKGE CCc1nn(-c2ccccc2Cl)c2c1[C@@H](c1cc(Br)ccc1F)C(C#N)=C(N)O2 1865702365 UHAPLFVTCOBZGF-SFHVURJKSA-N 473.733 5.208 50 10 JKGE CCCOc1ccccc1[C@@H]1C(C#N)=C(N)Oc2c1c(-c1ccc(OC)cc1)nn2-c1ccc(C)cc1 1865703174 OZELXBNQOSBCMR-AREMUKBSSA-N 492.579 5.863 50 10 JKGE CC(C)Oc1ccccc1[C@H]1C(C#N)=C(N)Oc2c1c(C(F)(F)F)nn2-c1cccc2ccccc12 1865705599 ZUVZLTYEXKPBRV-QFIPXVFZSA-N 490.485 6.050 50 10 JKGE N#CC1=C(N)Oc2c(c(-c3ccccc3)nn2-c2ccc(Cl)c(Cl)c2)[C@H]1c1ccccc1O 1865708464 XIFADJINFJEYJS-NRFANRHFSA-N 475.335 5.770 50 10 JKGE CC(C)(C)[C@H]1CCc2c(sc(NC(=O)/C(C#N)=C/c3cccc(Br)c3)c2C(N)=O)C1 1866131657 HAJDETUYQWYTOQ-HNRFISLBSA-N 486.435 5.306 50 10 JKGE CC(C)(C)c1nc(Nc2ccc(SC#N)cc2)cc(N2C[C@@H](c3ccccc3)Cc3ccccc32)n1 1868342733 YJXQIEHYGTUSKV-QHCPKHFHSA-N 491.664 7.569 50 10 JKGE N#C/C(=C\c1cccc(OCc2c(Cl)cccc2Cl)c1)c1cc2c(cc1[N+](=O)[O-])OCCO2 1872728728 PRPKPESSWWJWBH-CXUHLZMHSA-N 483.307 6.316 50 10 JKGE CCCCc1ccc(-c2csc(/C(C#N)=C(\O)CNC(=O)c3ccc(Cl)cc3)n2)cc1 1872744773 HREHNCFGWNWZEQ-XDOYNYLZSA-N 451.979 6.029 50 10 JKGE N#C/C(=C(/O)CCCOc1ccccc1Cl)c1nc(-c2ccc(Cl)cc2Cl)cs1 1872745220 YHIFRTFSLHVTSE-CYVLTUHYSA-N 465.789 7.422 50 10 JKGE CCCCCCCOc1ccc(-c2csc(/C(C#N)=C(O)/C=C/c3ccc([N+](=O)[O-])cc3)n2)cc1 1872753015 DCQWAHYNHQQPEW-WOSXIMIYSA-N 489.597 7.574 50 10 JKGE CCOc1ccc(-c2csc(/C(C#N)=C(\O)c3ccc(Cl)cc3[N+](=O)[O-])n2)c(OCC)c1 1872755285 HATTVDOOWURXOU-FXBPSFAMSA-N 471.922 6.119 50 10 JKGE COc1ccc(OC)c(C/C(O)=C(\C#N)c2nc(-c3cc(Cl)cc(C)c3OC)cs2)c1 1872757078 PSMROMHEOUZNHV-ZZEZOPTASA-N 456.951 5.833 50 10 JKGE COc1ccccc1-c1csc(/C(C#N)=C/c2ccc(OCc3ccc(Cl)cc3Cl)cc2)n1 1872784738 YSUHUJBWGFAUKO-XDHOZWIPSA-N 493.415 7.769 50 10 JKGE Cc1ccc(-c2csc(/C(C#N)=C/c3c(OCc4ccccc4)ccc4ccccc34)n2)cc1 1872790826 HADFEPZHXCAYEG-KOEQRZSOSA-N 458.586 7.915 50 10 JKGE CCc1sc(Br)cc1[C@H](Br)c1ccc(Br)c(OC)c1 1876917983 AITVKDZBARNUDG-CQSZACIVSA-N 469.036 6.328 50 10 JKGE CC(C)[C@H](CBr)N(Cc1ccccc1)C(=O)c1sccc1I 1915270738 TXPXICOFLNYWPP-HNNXBMFYSA-N 492.220 5.415 50 10 JKGE COCc1cc(Br)c([C@H](Br)c2cc(C)c(Br)o2)s1 1917605621 ZKIFACMTPOCYSD-SNVBAGLBSA-N 458.997 5.805 50 10 JKGE Fc1ccc(Br)cc1[C@H](Cl)c1sc(Br)cc1Br 1922943384 VMBQSSSBUPQCST-JTQLQIEISA-N 463.391 6.503 50 10 JKGE Cl[C@H](Cc1ccccc1)c1c(Br)sc(Br)c1Br 1924579982 MUHRUEDSWDJEPJ-MRVPVSSYSA-N 459.428 6.558 50 10 JKGE Fc1cc([C@@H](Br)c2c(Cl)sc(Br)c2Cl)ccc1Cl 1925587765 LYYSQEGICSDYAS-MRVPVSSYSA-N 453.385 7.094 50 10 JKGE Cc1cc(Br)ccc1[C@@H](Br)c1c(Cl)sc(Br)c1Cl 1925588897 QRPYZPHYTPFOHL-SECBINFHSA-N 493.873 7.373 50 10 JKGE Brc1ccc(Br)c([C@H]2CCC[C@H](CI)O2)c1 1935889468 RTFZDYFBPVZCIB-BXKDBHETSA-N 459.947 5.257 50 10 JKGE CN(Cc1ccc(Cl)c(Br)c1)C[C@@H](Br)COCc1ccccc1 1979517920 OZMIUSQQWJFMNT-MRXNPFEDSA-N 461.625 5.515 50 10 JKGE Fc1ccc([C@@H](Br)c2cc(I)sn2)c(F)c1Br 2007647779 NXIWBFNHUFZIQK-MRVPVSSYSA-N 494.924 5.273 50 10 JKGE CN(C(=O)c1csc(Br)c1Br)C1CCC(Br)CC1 2042104026 GCFGBTJMFPXOCP-UHFFFAOYSA-N 460.029 5.051 50 10 JKGE BrCc1ccc(Br)cc1N1CCC[C@@H]1[C@@H]1CCN(Cc2ccccc2)C1 2089001449 VODHIFIIAALJRE-TZIWHRDSSA-N 478.272 5.835 50 10 JKGE CC(C)(CCl)c1cn(-c2c(Br)cc(Br)cc2Br)nn1 2108757642 IVGJGUPWUZCYMF-UHFFFAOYSA-N 472.406 5.071 50 10 JKGE Fc1c(Br)ccc(C[C@@H](Br)c2ccccc2Br)c1F 2113448084 XAJNIZHXLZYACK-GFCCVEGCSA-N 454.934 6.169 50 10 JKGE C[C@@H]1CCC[C@]12[C@@H](Br)C[C@H]2Oc1ccc(Br)cc1Br 2117008863 WZHMGEAABOWFRX-KYQLBWAOSA-N 453.012 5.933 50 10 JKGE Cc1cc(Br)c([C@H](Br)C[C@@H]2CCC[C@@H]3C[C@H]23)cc1Br 2121004036 UDFMMXNCOMFZNP-KZTGVZKYSA-N 451.040 6.782 50 10 JKGE C[C@@H](c1cccs1)N(Cc1ccccc1)S(=O)(=O)c1ccccc1CBr 2123244092 RLLAJWKCLJPWNW-INIZCTEOSA-N 450.423 5.595 50 10 JKGE Cc1cc(Br)c(C)c([C@H](Br)CC[C@@H]2CCOC2)c1Br 2136369061 ZVKAYQHPOFBPEH-VXGBXAGGSA-N 455.028 6.081 50 10 JKGE Cc1cc(Br)c(C)c([C@H](Br)[C@@H](C)[C@H]2CCCO2)c1Br 2136369993 MJFROGLCGVPVHM-JVLSTEMRSA-N 455.028 6.080 50 10 JKGE Cc1cc(Br)c(C)c([C@H](Br)CC2(C)CCCC2)c1Br 2136379180 ZEXMBHZGWYAIFO-CYBMUJFWSA-N 453.056 7.235 50 10 JKGE Cc1sc(Br)cc1[C@@H](Cl)c1c(Br)cc(F)c(Cl)c1F 2136963668 IBVYBBMLDBHZLL-SNVBAGLBSA-N 450.957 6.841 50 10 JKGE CN(Cc1ccc(I)c(Cl)c1)C[C@H](Br)C1CCCC1 2142950537 RRZOLJTWXKUHHZ-ZDUSSCGKSA-N 456.593 5.330 50 10 JKGE Cc1sc(Br)cc1[C@@H](Br)c1cc(Br)cc2c1O[C@H](C)C2 2152047990 PCTOYPMJMLKWEI-NXSYQRQQSA-N 481.047 6.389 50 10 JKGE FC1(F)C[C@]12CCC[C@@H]([C@@H](Br)c1cc(Br)ccc1Br)C2 2156117872 VBOODUOLFCAKGH-OWYVNGRQSA-N 472.993 6.863 50 10 JKGE O=C(c1cc(Br)c(Br)s1)N1C[C@@H](Br)C2(CCCCC2)C1 2174366332 XAGWMHCHIUWODX-LLVKDONJSA-N 486.067 5.443 50 10 JKGE COc1ccc(CBr)cc1OCc1cc(Br)ccc1Br 2175141639 IPCGDPSQAZXYJL-UHFFFAOYSA-N 464.979 5.694 50 10 JKGE Cc1cc(Br)c(C)c([C@H](Br)[C@@H]2CCCC3(CC3)C2)c1Br 2201061424 FBBJWNQXLUBYJC-MLGOLLRUSA-N 465.067 7.235 50 10 JKGE Cc1cc(Br)c(C)c([C@H](Br)C2(C(F)(F)F)CCC2)c1Br 2201063205 CECZCIIQFFYPHO-LBPRGKRZSA-N 478.972 6.997 50 10 JKGE Cc1cc(Br)c(C)c([C@H](Br)C[C@H]2C[C@H]2C(F)(F)F)c1Br 2201070013 AHVUDUUQDPEUIV-FXPVBKGRSA-N 478.972 6.853 50 10 JKGE Cc1cc(Br)c(C)c([C@@H](Br)[C@H]2C[C@@H]3CCC[C@@H]3C2)c1Br 2201070448 BPYMZQKWPWPAMQ-LKQDWFRTSA-N 465.067 7.091 50 10 JKGE CO[C@@H]1CC[C@@H]1[C@@H](Br)c1c(Br)sc(Br)c1Cl 2211337491 KRTXBBKMXWGNBW-HBPOCXIASA-N 453.421 5.788 50 10 JKGE C[C@@H]1CC[C@H](c2sc(Br)c(Br)c2Br)C[C@H]1Cl 2212199322 BHBOINKMENVGMS-DSYKOEDSSA-N 451.449 6.547 50 10 JKGE Cc1cc(Br)c([C@H](Cl)c2cscc2OCc2ccccc2)c(C)c1Cl 2217613135 LOIJRFCHRHVBKY-HXUWFJFHSA-N 456.232 7.688 50 10 JKGE Cc1cc(Br)c([C@H](Br)c2sccc2F)c(C)c1Br 2220152533 UCYGHMVXFLCZSK-LBPRGKRZSA-N 457.000 6.513 50 10 JKGE FC(F)(F)[C@@H]1C[C@H]1[C@H](Br)c1c(Br)cc(Cl)c(Cl)c1Cl 2224322773 QFOKASRIWKLRIT-ZFSUVSKUSA-N 461.330 7.044 50 10 JKGE Cc1cc(Br)c([C@H](Br)[C@@H]2CC[C@H]3C[C@@H]3C2)c(C)c1Br 2227355977 OZNSXCBUQVQUCQ-XSUJLISDSA-N 451.040 6.701 50 10 JKGE Cc1cc(Br)c([C@@H](Br)c2cccc(Cl)c2Cl)c(C)c1Cl 2232527631 DVFYJACPUOZHAE-ZDUSSCGKSA-N 457.420 7.510 50 10 JKGE Cc1cc(Br)ccc1[C@H](Cl)c1c(Br)cc(C)c(Br)c1C 2235604515 OEIUVRFQXDRIET-INIZCTEOSA-N 481.453 7.228 50 10 JKGE CCC1CCC(O[C@](C)(CI)c2ccccc2Br)CC1 2240441870 URIVMTWEZLMPAR-MQBCKMQZSA-N 451.186 6.085 50 10 JKGE Clc1ccc([C@@H](Br)c2ccc(Br)s2)cc1I 2243570704 UCPAEDLAFRUYCQ-LLVKDONJSA-N 492.401 6.253 50 10 JKGE CCc1cc([C@H](Br)c2cc(C)ccc2Br)sc1Br 2256052620 JCDSAOCBWQESHL-CYBMUJFWSA-N 453.037 6.628 50 10 JKGE CN(Cc1ccccc1I)c1c(Cl)cccc1CBr 2265531453 YANOBCBAAHUABW-UHFFFAOYSA-N 450.545 5.476 50 10 JKGE Cc1c(Br)ccc([C@@H](Br)C[C@H]2CCCCC23CC3)c1Br 2279688409 NJMUYZCMOGLTCY-DOMZBBRYSA-N 465.067 7.317 50 10 JKGE COc1c([C@H](Br)c2c(C)nsc2Br)cc(Br)c(C)c1C 2284524894 QGCXAFLDCATRNK-LBPRGKRZSA-N 484.051 6.086 50 10 JKGE COc1c([C@@H](Br)c2ccc(OCc3ccccc3)cc2)cc(Br)c(C)c1C 2284525765 SJKFYEBSCNWKNT-QFIPXVFZSA-N 490.235 7.138 50 10 JKGE O=[N+]([O-])c1cc(Oc2cc(I)ccc2Cl)ccc1CBr 2288251894 HZWYLKPEGBAPFY-UHFFFAOYSA-N 468.472 5.540 50 10 JKGE Cc1cc(OCCOc2ccc(C=C(C#N)C(=O)NCc3ccco3)cc2Cl)ccc1Cl 2293993202 YXNMWYQRPIPDDQ-UHFFFAOYSA-N 471.340 5.576 50 10 JKGE N#CC(=Cc1cn(-c2ccccc2)nc1-c1ccc(Cl)cc1)C(=O)NCCc1ccccc1 2295266396 VFEJIJKZERPHKE-UHFFFAOYSA-N 452.945 5.459 50 10 JKGE CS(=O)(=O)c1csc([C@H](Cl)Cc2cc(Br)cc(Br)c2)c1 2295277870 WAGLSJHEVBIUQC-GFCCVEGCSA-N 458.624 5.199 50 10 JKGE COc1c(C)cc(C)cc1[C@H](Br)c1cc(Cl)ccc1I 2295356915 GWGBTKBDRXBIOS-OAHLLOKOSA-N 465.556 6.054 50 10 JKGE CCCCCN1C(=O)C(=Cc2cn(-c3ccccc3)nc2-c2ccc(OC)cc2C)C(C)=C(C#N)C1=O 2295838609 OKGZQXLEAIJGJM-UHFFFAOYSA-N 494.595 5.639 50 10 JKGE N#CC(=Cc1cn(Cc2ccccc2)c2ccccc12)C(=O)Nc1ncc(Cc2ccc(F)cc2)s1 2296500470 QUZMETGSZHSSRS-UHFFFAOYSA-N 492.579 6.422 50 10 JKGE CC(C)(C)[C@@H]1CC(=Cc2ccc(Cl)cc2)C2=C(C1)[C@H](c1ccc(Cl)cc1)C(C#N)=C(N)O2 2297504899 PKPNCDBPQDISDP-DVECYGJZSA-N 465.424 7.595 50 10 JKGE Cc1cc(Cl)ccc1[C@@H](Br)c1sc(Cl)cc1I 2301084398 SGQCHJFVBFFNHG-LLVKDONJSA-N 461.977 6.452 50 10 JKGE C=CCOc1c(Cl)cc(C=C(C#N)C(=O)Nc2cccc(Cl)c2Cl)cc1Br 2313571565 ZCZXPTIZFQOAIV-UHFFFAOYSA-N 486.580 6.520 50 10 JKGE CCc1ccc(NC(=O)C(C#N)=Cc2cccc(OCc3ccc(Cl)cc3Cl)c2)cc1 2313681119 KMJKUUDVVAZRPU-UHFFFAOYSA-N 451.353 6.680 50 10 JKGE O=S1(=O)CCCC[C@@H]1[C@@H](Br)c1ccc(OCc2ccccc2)cc1Br 2314448733 KBXIQCPTRMVURY-MOPGFXCFSA-N 488.241 5.431 50 10 JKGE COc1cccc(-c2ccc(C(=O)NNC(=O)C=Cc3cccc(OCc4ccccc4)c3)c(C)n2)c1 2321126271 XJTKJUYNHOLANR-UHFFFAOYSA-N 493.563 5.119 50 10 JKGE Cc1ccc2nc(-c3ccc(NC=C(C#N)C(=O)NCc4ccc5c(c4)OCO5)cc3)sc2c1 2324868328 WKEWXOOTVBAKDO-UHFFFAOYSA-N 468.538 5.136 50 10 JKGE COc1ccc(C=C(C#N)C(=O)Nc2cc(C(F)(F)F)ccc2N2CCCCC2)cc1OC 2329702727 SQJIHJVLWGZAAZ-UHFFFAOYSA-N 459.468 5.259 50 10 JKGE CCOc1ccc(C=CC(O)=C(C#N)c2nc(-c3ccc(-c4ccccc4)cc3)cs2)cc1 2331231892 PYBUZBADNXRUKT-UHFFFAOYSA-N 450.563 7.382 50 10 JKGE CC[C@@H](C)[C@@H](C(O)=C(C#N)c1nc(-c2ccc(F)c(F)c2)cs1)N1C(=O)c2ccccc2C1=O 2331352409 SDSDXENRFPMQCB-ASSNKEHSSA-N 479.508 5.592 50 10 JKGE CCOc1ccc(-c2csc(C(C#N)=C(O)Cc3cc(Cl)ccc3Cl)n2)c(OCC)c1 2331386919 CLGMJMMIQPSVHY-UHFFFAOYSA-N 475.397 6.950 50 10 JKGE COc1cccc(-c2csc(C(C#N)=Cc3ccc(OCc4ccc(Cl)cc4)cc3)n2)c1 2331421562 ZSZLOKISLBOBNR-UHFFFAOYSA-N 458.970 7.115 50 10 JKGE COc1cc(C=C(C#N)c2nc(-c3c[nH]c4ccccc34)cs2)ccc1OCCN1CCOCC1 2331460174 UPRRBERIDUJPHG-UHFFFAOYSA-N 486.597 5.075 50 10 JKGE Brc1ccc([C@@H](Br)[C@H]2OC[C@@H]3CCCC[C@H]23)c(Br)c1 2333520659 ORCWEZCWEUEOHX-NDMCHQMPSA-N 453.012 5.853 50 10 JKGE FC1(F)CCCCC[C@H]1[C@H](Br)c1ccc(OCc2ccccc2)cc1Br 2336079532 UTQKQKWDXAVXGE-AZUAARDMSA-N 488.210 7.680 50 10 JKGE Fc1ccc(C[C@H](Br)c2c(Cl)cc(Br)c(F)c2Br)cc1 2362256213 UHPWFIHOQBYOLY-VIFPVBQESA-N 489.379 6.822 50 10 JKGE Cc1c(Br)ccc([C@H](Br)[C@@H]2C[C@H]3CCC[C@H]2CC3)c1Br 2364129765 KDZLBUZXCCSQGV-DIGLBZAJSA-N 465.067 7.172 50 10 JKGE Cc1cc(Br)c(F)c(Br)c1[C@@H](Br)[C@@]12CC[C@@](C)(C1)OC2 2365190108 BDCODRBMUFDSCM-ILXRZTDVSA-N 471.002 6.054 50 10 JKGE Cc1cc(Br)c(F)c(Br)c1[C@H](Br)[C@H]1CCC[C@@H](C)CC1 2365223030 JPTZPACNYSWJAS-OLUVUFQESA-N 471.046 7.312 50 10 JKGE O=C(N[C@@H](CCBr)COCc1ccccc1)c1ccc2cc(Br)ccc2c1 2369434165 VAXOGXCXVHIUIV-NRFANRHFSA-N 491.223 5.703 50 10 JKGE C[C@@H]1CC[C@H](C(C)(C)Cc2ccc(I)c(Br)c2)[C@@H](Cl)C1 2377295473 SRYAZVYYEIRUPK-ZLDLUXBVSA-N 469.632 6.666 50 10 JKGE FC(F)(F)[C@H]1[C@@H](Cl)CCCN1Cc1ccc(I)c(Br)c1 2377351076 ALLXQSZTUHDZCS-CMPLNLGQSA-N 482.509 5.188 50 10 JKGE Cc1cccc(C[C@@H]2S/C(=C(\C#N)C(=O)NCc3ccccc3)N(c3ccc(Cl)cc3)C2=O)c1 935209 LAKLKASKMCQIAK-BSSRNLCFSA-N 488.012 5.391 50 10 JKGE Cc1ccc(CN(C(=O)CCl)[C@H](C(=O)N[C@@H]2CCCC[C@@H]2C)c2ccccc2Cl)cc1 33404640 BQIIKOUUNUOSTL-ANJVHQHFSA-N 461.433 5.652 50 10 JKGE CCOc1ccc(/C=C(/C#N)C(=O)Nc2ccccc2Br)cc1Br 33406890 SVPYJYDQGCNJQF-LCYFTJDESA-N 450.130 5.156 50 10 JKGE CC(C)(C)OC(=O)N1CC2=C(OC(N)=C(C#N)[C@@H]2c2ccc(F)cc2)/C(=C\c2ccc(F)cc2)C1 33777046 VUJSRXXMQBBATQ-QRKROWPFSA-N 477.511 5.361 50 10 JKGE CCCCOc1ccc(-c2nn(-c3ccccc3)cc2/C=C2/C(=O)N(CC)C(=O)C(C#N)=C2C)cc1F 38603161 XCNOBLAOOYMMJP-HZHRSRAPSA-N 498.558 5.469 50 10 JKGE C=CCOc1cccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4cccc(Cl)c4)ccc32)c1 38684590 OTSLUBKCQJLJKG-XMMPIXPASA-N 458.901 5.342 50 10 JKGE N#C/C(=C\c1ccc2noc(-c3ccc(Cl)cc3)c2c1)c1nc(-c2ccc([N+](=O)[O-])cc2)cs1 39885091 PVZMUWSEULMBGC-WOJGMQOQSA-N 484.924 7.244 50 10 JKGE Cc1c(C(=O)NCc2ccccc2)oc2c1/C(=N/NC(=O)C(c1ccccc1)c1ccccc1)CCC2 40815495 QFNYQHMMYWEXNI-INKHBPHZSA-N 491.591 5.507 50 10 JKGE O=C(COc1cccc(Cl)c1)N/N=C/c1cc(Br)ccc1OCc1ccccc1 40912334 YLLVGAQYJZGRBW-DHRITJCHSA-N 473.754 5.211 50 10 JKGE O=C(COc1cccc(Cl)c1Cl)N/N=C/c1ccccc1OC(=O)c1ccc(Cl)cc1 48573335 RTABTAWXRIPXAW-RPPGKUMJSA-N 477.731 5.395 50 10 JKGE CCOc1cc(/C=C(/C#N)C(=O)Nc2ccc(Cl)cc2)ccc1OCc1cccc(Cl)c1 59116937 ZQKUCYIZUWKOGK-UNOMPAQXSA-N 467.352 6.517 50 10 JKGE O=C(N/N=C/c1ccc(Sc2nnc(-c3ccccc3)n2-c2ccccc2)o1)c1ccc(F)cc1 59462455 YDXPXEQMLRFWSW-OGLMXYFKSA-N 483.528 5.582 50 10 JKGE CC(C)(C)c1ccc(OCC(=O)N/N=C/c2ccc(Sc3nc4ccccc4s3)o2)cc1 59517341 HOZWEZQUTOGCIR-AFUMVMLFSA-N 465.600 5.867 50 10 JKGE CCOc1ccc([C@H](Br)c2cc(F)cc(Br)c2)c(Br)c1 123740904 YYKZFUUHRAELTF-OAHLLOKOSA-N 466.970 6.234 50 10 JKGE O=C1Cc2cc([C@@H](Br)c3cc(Br)ccc3Br)ccc2N1 161085300 XWPKEZJSMZGTGL-OAHLLOKOSA-N 459.963 5.191 50 10 JKGE Clc1cc(Br)ccc1C[C@@H](CBr)Cc1cccc(Br)c1 168951816 HDVWGQUAZYMOAV-LBPRGKRZSA-N 481.453 6.661 50 10 JKGE CCCCOc1ccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)/C=C\c4ccc(C)cc4)ccc32)cc1 205642706 XWBXMUOJOQBOTL-BVCVZQITSA-N 480.564 6.011 50 10 JKGE CCCCOc1ccc(/C=C(/C#N)C(=O)Oc2ccc(C(=O)Nc3cc(C)ccc3C)cc2)cc1 206415285 NHOJZTXGBBJNLH-MOHJPFBDSA-N 468.553 6.247 50 10 JKGE COc1ccc([C@@H](Br)c2cccc(Br)c2Cl)c(OC)c1Br 224854504 ZYZDAJCJRBVARK-LBPRGKRZSA-N 499.424 6.367 50 10 JKGE C[C@H]1Cc2cc([C@H](Br)c3ccc(Br)cc3Br)ccc2O1 235771368 PRMFYUAJQQXIES-FVMDXXJSSA-N 460.991 6.019 50 10 JKGE CC(=NNC(=O)CC12CC3CC(CC(C3)C1)C2)c1ccc(NC(=O)c2ccc(C(C)(C)C)cc2)cc1 254614957 JLZPBUHOFZPQFS-UHFFFAOYSA-N 485.672 6.683 50 10 JKGE BrCc1cc(Br)c(OCCC2CCCCC2)c(Br)c1 305896189 JPNIAMGZKPKVHN-UHFFFAOYSA-N 455.028 6.456 50 10 JKGE Clc1ccc([C@H](Br)c2cc3c(cc2Br)OCC3)c(Br)c1 308409849 COPZBLTXEQNRHH-HNNXBMFYSA-N 481.409 6.284 50 10 JKGE Clc1cc([C@H](Br)c2cc3c(cc2Br)OCC3)ccc1Br 308421636 XZLYDVOFSBHTGX-HNNXBMFYSA-N 481.409 6.284 50 10 JKGE N#Cc1cccc(COc2c(Br)cc(Br)cc2CBr)c1 380349261 AYINMMAIJLDRPR-UHFFFAOYSA-N 459.963 5.557 50 10 JKGE C[C@H]1[C@@H](n2c(CCl)nc3cc(I)ccc32)CCN1Cc1ccccc1 385278128 RETTWSMSNVHOCR-KSSFIOAISA-N 465.766 5.215 50 10 JKGE Cc1cc(F)c([C@@H](Br)c2ccc(I)c(Cl)c2)cc1C 395797851 YHTLMVMWOURJBL-HNNXBMFYSA-N 453.520 6.185 50 10 JKGE CC(C)(C)OC(=O)NCCN1CCO[C@@H](c2ccccc2CCO[Si](C)(C)C(C)(C)C)CC1 616596538 ZPPOTUCUGSHREG-HSZRJFAPSA-N 478.750 5.539 50 10 JKGE CN(C(=O)OC(C)(C)C)c1cccc([C@H]2COCCN(CCO[Si](C)(C)C(C)(C)C)C2)c1 616664548 VVQKBOUJLLQAFR-OAQYLSRUSA-N 464.723 5.496 50 10 JKGE CCCOc1ccc([C@H](Br)c2cn(C)c(Br)n2)cc1Br 829353159 AAAMVWGLSSMKOQ-ZDUSSCGKSA-N 466.999 5.218 50 10 JKGE CCc1cc([N+](=O)[O-])ccc1-c1ccc(/C=C(/C#N)C(=O)Nc2ccc(Br)c(C)c2)o1 1084363902 IOTRCWAPAIGZMJ-VBKFSLOCSA-N 480.318 6.034 50 10 JKGE C=CCc1cc(/C=C(\C#N)C(=O)Nc2cccc(Cl)c2Cl)ccc1OCc1ccc(Cl)cc1 1084457673 FZIFGWUJLDZHDB-XSFVSMFZSA-N 497.809 7.500 50 10 JKGE CCOc1ccc2nc(Sc3ccc(C=NNC(=O)CCc4ccccc4O)o3)sc2c1 1084553891 LZHJRPTVYQQDSR-UHFFFAOYSA-N 467.572 5.228 50 10 JKGE Cc1cc(C=NNC(=O)c2ccc(CN3CCc4ccccc4C3)cc2)c(C)n1-c1ccc(Cl)cc1 1084599392 VSOIPLYZZLJYEQ-UHFFFAOYSA-N 497.042 6.070 50 10 JKGE O=C(COc1ccc(Br)cc1Cl)NN=Cc1cccc(Oc2ccccc2)c1 1084605656 PHDICFZCLRWDAE-UHFFFAOYSA-N 459.727 5.424 50 10 JKGE Cc1c(C(=O)Oc2ccccc2)oc2c1C(=NNC(=O)C(c1ccccc1)c1ccccc1)CCC2 1772748460 KVLNLXFBOFJNPW-UHFFFAOYSA-N 478.548 5.796 50 10 JKGE Cc1cc(OC(=O)c2oc3c(c2C)C(=NNC(=O)Cc2ccccc2)CCC3)ccc1Cl 1772749583 NELVPDLUUQVQMB-UHFFFAOYSA-N 450.922 5.168 50 10 JKGE Cc1cccc(C)c1OCC(=O)Nc1cccc2c(OC(=O)Nc3ccc(SC#N)cc3)cccc12 1858773329 XHPLJOOBRDBCOI-UHFFFAOYSA-N 497.576 6.658 50 10 JKGE N#CC1=C(N)Oc2c(c(C(F)(F)F)nn2Cc2c(F)cccc2Cl)[C@H]1c1ccc(Cl)cc1 1865683962 RPBGBQHEIHIWEX-INIZCTEOSA-N 483.252 5.614 50 10 JKGE N#CC1=C(N)Oc2c(c(C(F)(F)F)nn2Cc2ccc(F)cc2)[C@@H]1c1ccc(Cl)cc1Cl 1865685217 FVFDPTUNRGMSIL-MRXNPFEDSA-N 483.252 5.614 50 10 JKGE COc1ccc(-c2nn(Cc3cccc(F)c3)c3c2[C@@H](c2ccc(C)cc2)C(C#N)=C(N)O3)cc1 1865685582 KILWSSRRBIMHRS-DEOSSOPVSA-N 466.516 5.273 50 10 JKGE CCCCOc1ccc([C@H]2C(C#N)=C(N)Oc3c2c(C)nn3Cc2ccc(Cl)c(Cl)c2)cc1 1865691877 DBPBWRQJKSZCAH-QHCPKHFHSA-N 483.399 5.944 50 10 JKGE CCCCCOc1ccc([C@H]2C(C#N)=C(N)Oc3c2c(C(F)(F)F)nn3-c2ccccn2)cc1OC 1865696245 LGAAJQKHVPQOHC-FQEVSTJZSA-N 499.493 5.082 50 10 JKGE COc1ccc(-c2nn(-c3cccc(Cl)c3)c3c2[C@@H](c2ccccc2C(=O)O)C(C#N)=C(N)O3)cc1 1865703877 HVWALSAUQUWRKX-QFIPXVFZSA-N 498.926 5.118 50 10 JKGE CCn1nc(-c2ccc(OC)cc2)c2c1OC(N)=C(C#N)[C@@H]2c1ccc(OC(=O)c2ccccc2)cc1 1865705452 WEFGICBOBBMHQK-DEOSSOPVSA-N 492.535 5.016 50 10 JKGE N#CC1=C(N)Oc2c(c(C(F)(F)F)nn2-c2ccc(Cl)c(Cl)c2)[C@@H]1c1ccccc1[N+](=O)[O-] 1865710375 WOIJEIIBZZUNKR-OAHLLOKOSA-N 496.232 5.324 50 10 JKGE COc1ccc(-c2ccc(C(=O)NNC(=O)/C=C/c3ccc(OCc4ccccc4)cc3)c(C)n2)cc1 1865757112 NNVGAGZNPGNODD-VXLYETTFSA-N 493.563 5.119 50 10 JKGE CCc1cccc(C)c1N1C[C@H](/C(O)=C(\C#N)c2nc(-c3ccc4c(c3)CCCC4)cs2)CC1=O 1872745664 XNTREZVLQVHACO-YHMQUTQNSA-N 483.637 6.406 50 10 JKGE CCCCCCOc1ccc(/C(O)=C(\C#N)c2nc(-c3ccc(Br)cc3)cs2)cc1 1872746603 PNRZBMPOJNKBTM-LNVKXUELSA-N 483.431 7.482 50 10 JKGE COc1cc(/C=C/C(O)=C(\C#N)c2nc(-c3ccc(Cl)c(Cl)c3)cs2)ccc1OC(C)=O 1872748979 WASVFFQFVMYZPI-NNZNBPEBSA-N 487.364 6.557 50 10 JKGE CCCCCCCOc1ccc(-c2csc(/C(C#N)=C(\O)Cc3cc(C)ccc3C)n2)cc1 1872753466 YNQCKQDFBLNQAX-RFBIWTDZSA-N 460.643 7.812 50 10 JKGE CCOc1ccc(/C=C/C(O)=C(\C#N)c2nc(-c3ccc(OC)c4ccccc34)cs2)cc1OC 1872758614 INRMSGFTJKDQCC-UOPCGYQESA-N 484.577 6.885 50 10 JKGE CCOc1cc(/C=C(\C#N)c2nc(-c3ccc(CC)cc3)cs2)ccc1OCC(=O)N(CC)CC 1872781785 QVQSPGAMUXUQQK-HZHRSRAPSA-N 489.641 6.083 50 10 JKGE COc1ccc(C(C)(C)C)cc1-c1csc(/C(C#N)=C/c2cc(Br)ccc2F)n1 1872793333 UZCGPCLXYNBOAR-OQLLNIDSSA-N 471.395 7.082 50 10 JKGE Cc1oc(Br)cc1[C@@H](Cl)c1sc(Br)c(C)c1Br 1922880891 GMQPXTKMCWLFAE-SECBINFHSA-N 463.416 6.574 50 10 JKGE Cc1ccc(C)c([C@@H](Br)c2c(Br)sc(Br)c2Cl)c1 1923038739 KNCOKXHVYPUJOH-SNVBAGLBSA-N 473.455 7.028 50 10 JKGE FC1(F)CCCC[C@H]1[C@H](Br)c1c(Br)sc(Br)c1Cl 1923055721 XYYCPXPQYYGKIZ-FSPLSTOPSA-N 487.429 7.188 50 10 JKGE Cc1ccc(Cl)cc1[C@@H](Br)c1c(Br)sc(Br)c1Cl 1923055833 ZKNNIGIMQKHGSA-SECBINFHSA-N 493.873 7.373 50 10 JKGE C[C@@H]1CCC[C@@H]([C@@H](Br)c2c(Br)sc(Br)c2Cl)C1 1923074269 JHOHOTRYNDWRDO-ZXFLCMHBSA-N 465.476 7.189 50 10 JKGE O=S1(=O)CCCC[C@@H]1[C@H](Br)c1c(Cl)sc(Br)c1Cl 1925589456 UBFAAEKWSUBJIY-VDTYLAMSSA-N 457.036 5.221 50 10 JKGE C[C@H]1CN(c2cccc(Br)c2CBr)[C@@H](C)CN1Cc1ccccc1 1946773170 QYBWEANLRUFNMW-HOTGVXAUSA-N 452.234 5.443 50 10 JKGE Cn1nc([C@@H](Cl)c2cc(Br)sc2Br)c(Br)c1Cl 2001996037 WVRBFCHZOUAQBC-LURJTMIESA-N 483.838 5.751 50 10 JKGE CCn1cc(Br)c([C@H](Cl)c2sc(Br)cc2Br)n1 2010564597 XHXDBTIFRCTZOC-QMMMGPOBSA-N 463.420 5.580 50 10 JKGE Cl[C@H](c1c(Br)sc(Br)c1Br)[C@@]12CCOC[C@H]1C2 2018506884 GQLWQEMVIMAERO-ZDRUMUKXSA-N 465.432 5.742 50 10 JKGE CC(C)c1ccc([C@@H](Br)c2csc(Br)c2Br)cc1 2032958289 AABLBJCIJAOLBT-GFCCVEGCSA-N 453.037 6.881 50 10 JKGE Clc1c(Br)sc(Br)c1[C@H](Br)C1[C@H]2CCCCC[C@H]12 2048337139 KJXGWASPFITZML-MHYGZLNHSA-N 477.487 7.189 50 10 JKGE CC(C)Cc1ccc([C@H](Br)c2cccc(F)c2I)s1 2087337853 GWEYZJGFXHSYQN-CQSZACIVSA-N 453.158 6.175 50 10 JKGE Cc1ccc(CC(CBr)(CBr)c2cccc(Br)c2)o1 2087973306 PAHNCODEIWSSLK-UHFFFAOYSA-N 450.996 5.621 50 10 JKGE Cc1cc(Br)c([C@H](Br)[C@@H]2C[C@H]3CCCC[C@H]32)cc1Br 2089189007 SQRNIVFQDPWPRA-DSZLRUIBSA-N 451.040 6.782 50 10 JKGE O=C(NC[C@H](Br)c1ccccc1)c1csc(Br)c1Br 2093943897 AKMXGFTYQOJPRJ-JTQLQIEISA-N 468.008 5.139 50 10 JKGE Brc1cc([C@H](Br)[C@@H]2C[C@@H]3CCCCCC[C@@H]32)sc1Br 2109844789 CSICXFJVEWKVHB-KZWBYHQPSA-N 471.096 7.316 50 10 JKGE CN(C(=O)c1cc(Br)sc1Br)C1CCC(CBr)CC1 2114665281 MNHNKJJOFYSBII-UHFFFAOYSA-N 474.056 5.299 50 10 JKGE C[C@@H]1[C@@H](Br)C[C@H]2CC[C@H]1N2Cc1cc(Br)ccc1Br 2118522140 LTFVLFHWUSMZGO-QBXIECCESA-N 452.028 5.348 50 10 JKGE CC1(C)CC[C@H](Br)[C@@H](Cc2c(Br)cccc2Br)CC1 2122926849 GGTAOJDGGDLQJL-YPMHNXCESA-N 453.056 6.734 50 10 JKGE CN(CCCOCc1ccccc1)S(=O)(=O)c1cc(CBr)c(Cl)cc1Cl 2123250581 CCFWJUKLZQJKDB-UHFFFAOYSA-N 481.239 5.116 50 10 JKGE Cc1cc(Cl)c(Br)cc1[C@@H](Cl)c1cc(Br)cc(Br)c1 2137653829 GIICRXYQGDNGNZ-AWEZNQCLSA-N 487.844 7.264 50 10 JKGE CC1(C)C[C@@H](n2c(CCl)nc3c(Br)cc(F)cc32)[C@@H]1OCc1ccccc1 2156376468 PFSFMYHAXOWCNK-XLIONFOSSA-N 451.767 6.233 50 10 JKGE BrCC(CBr)(C[C@@H]1C[C@H]2CC[C@H]1O2)c1cccc(Br)c1 2168069054 FBGRLMVBMGPTAG-NILFDRSVSA-N 467.039 5.434 50 10 JKGE Brc1ccc([C@H](Br)Cc2ccc3c(c2)CCO3)c(Br)c1 2168654299 QARINKIITSTQMS-CQSZACIVSA-N 460.991 5.825 50 10 JKGE COc1cc(F)c(Br)cc1[C@@H](Br)c1c(Cl)cccc1Br 2169459738 CSIZIZFVPXCYCH-CQSZACIVSA-N 487.388 6.497 50 10 JKGE Cc1nc([C@@H](Br)c2cc(Br)cc3c2O[C@H](C)C3)c(Br)s1 2169495609 OMHMHGZVONQMNG-KBUNVGBDSA-N 482.035 5.784 50 10 JKGE C[C@@H](c1cc(C(F)(F)F)cc(C(F)(F)F)c1)[C@@H](CBr)NC(=O)OC(C)(C)C 2178173203 ONZKZDMOQDKODV-TVQRCGJNSA-N 464.244 6.116 50 10 JKGE Clc1ccc(Br)c(CO[C@@H](CBr)c2ccccc2Br)c1 2200756234 ZYHIOJOYLVYQTG-HNNXBMFYSA-N 483.425 6.518 50 10 JKGE Cc1cc(Br)c(C)c([C@H](Br)[C@]2(C)CCCC2(F)F)c1Br 2201080399 XXRAJVLOKKQMIG-KBPBESRZSA-N 475.009 7.090 50 10 JKGE COc1cc(F)c([C@H](Br)c2ccc(Br)cc2F)cc1Br 2202904891 YDAUUEFISQHVIH-CQSZACIVSA-N 470.933 5.983 50 10 JKGE C[C@@H](CBr)Cc1sc(Br)c(Br)c1Br 2209348967 ITAUROUPNBZNDR-SCSAIBSYSA-N 455.835 5.609 50 10 JKGE Brc1sc([C@@H]2[C@H]3CC[C@@H](C3)[C@H]2Br)c(Br)c1Br 2212188967 GRYJCDPGIDCHDC-VWDOSNQTSA-N 493.884 6.313 50 10 JKGE Brc1c([C@H](Br)c2sccc2I)ccc2c1CCO2 2222191569 VTHKCQJTQCQSPA-LBPRGKRZSA-N 499.993 5.534 50 10 JKGE CC[C@@H]1CC[C@@H]([C@H](Br)c2c(Br)cc(C)c(Br)c2C)O1 2227360326 RGIKKKJGWYALAN-GMXABZIVSA-N 455.028 6.222 50 10 JKGE Cc1cc(Br)c([C@H](Cl)c2cc(Br)sc2C)c(C)c1Br 2227362757 QCPOEYWUBFRLNF-CQSZACIVSA-N 487.482 7.289 50 10 JKGE CC[C@]1([C@@H](Br)c2c(Br)cc(C)c(Br)c2C)CC1(F)F 2227369674 ODTQIFPRFBINHY-QWHCGFSZSA-N 460.982 6.700 50 10 JKGE COc1ccccc1C[C@@H](Br)c1cc(Br)c(Br)cc1F 2233976030 NFGFQWIUBLRMCQ-LLVKDONJSA-N 466.970 6.038 50 10 JKGE Cl[C@H](Cc1cc(Br)cc(Br)c1)c1cscc1OCc1ccccc1 2252834337 ICFAYUQGGYCSLT-GOSISDBHSA-N 486.656 7.375 50 10 JKGE Cc1sc([C@H](Cl)c2ccc(F)cc2I)c(Br)c1C 2253511381 DSZURNSEBIBVOU-GFCCVEGCSA-N 459.549 6.199 50 10 JKGE Fc1cc(Br)c(Br)cc1[C@@H](Cl)c1scc(Br)c1Cl 2253611561 DGZRAVUTKVVKHX-SECBINFHSA-N 497.836 7.156 50 10 JKGE Fc1cc(Br)c(F)c(Br)c1[C@@H](Cl)c1cc(Cl)c(Cl)s1 2272720942 BPGXWHPDCOTWPM-VIFPVBQESA-N 471.375 7.186 50 10 JKGE COc1ccc([C@@H](Br)[C@@H]2CCCCCC2(F)F)cc1I 2285007991 LMHHUVXIWVTVTO-SMDDNHRTSA-N 459.112 5.951 50 10 JKGE BrCC(CBr)(CCc1ccccc1)Cc1cc(Br)sn1 2286716426 FYOLORBTZLMDBQ-UHFFFAOYSA-N 482.079 5.857 50 10 JKGE COc1ccc(C(C#N)=Cc2ccc(-c3cccc4c3C(=O)c3ccccc3C4=O)o2)cc1OC 2295187734 DUWBSGVVRGKOIN-UHFFFAOYSA-N 461.473 5.803 50 10 JKGE CCOc1cc(C=C(C#N)C(=O)Nc2ccccc2C(=O)OC)ccc1OCc1ccc(C)cc1 2295459582 AJLARMMTOLJELC-UHFFFAOYSA-N 470.525 5.305 50 10 JKGE COc1ccc(-c2nn(Cc3ccccc3)cc2C=C(C#N)S(=O)(=O)c2ccc(Cl)cc2)cc1 2295654515 BECGHTWPEJOZHX-UHFFFAOYSA-N 489.984 5.599 50 10 JKGE CN(Cc1ccc(I)c(Cl)c1)[C@H](CBr)c1ccccc1 2296480721 UQTCQTXKOLSHNI-MRXNPFEDSA-N 464.572 5.513 50 10 JKGE CCOC(=O)c1sc(NC=C(C#N)c2nc(-c3ccc(C)c(C)c3)cs2)c(C(=O)OCC)c1C 2296789978 GJLDVNIESMSBMJ-UHFFFAOYSA-N 495.626 6.127 50 10 JKGE N#CC(=Cc1ccc(-c2cccc(Cl)c2Cl)o1)C(=O)Nc1ccc([N+](=O)[O-])cc1C(F)(F)F 2297551602 UEOCVUIJVQFFIW-UHFFFAOYSA-N 496.228 6.726 50 10 JKGE CCOc1ccc(NC(=O)C(C#N)=Cc2ccc(OCc3ccc(Cl)cc3)c(OCC)c2)cc1 2313730417 STOBVRGNRHQWAN-UHFFFAOYSA-N 476.960 6.262 50 10 JKGE N#CC(=Cc1cn(-c2ccccc2)nc1-c1ccc(OCc2ccccc2)cc1)C(=O)N1CCCCC1 2314414960 SHOZKYIBGPDQCB-UHFFFAOYSA-N 488.591 6.038 50 10 JKGE N#CC(=Cc1ccc(-c2ccccc2)o1)C(=O)Nc1cc(C(F)(F)F)cc(C(F)(F)F)c1 2314572040 RDBKOUNGXOBKIU-UHFFFAOYSA-N 450.338 6.530 50 10 JKGE CCc1ccc(N2C(=O)[C@@H](Cc3ccc(C)c(C)c3)SC2=C(C#N)C(=O)Nc2cccc(C)c2)cc1 2314592478 UYCHCSHCIBTICC-HHHXNRCGSA-N 495.648 6.239 50 10 JKGE CCCCCCN1C(=O)C(=Cc2ccc(OCc3ccccc3Cl)cc2)C(C)=C(C#N)C1=O 2314611658 YSPOASQIJAHWKR-UHFFFAOYSA-N 462.977 6.092 50 10 JKGE C[C@@H](Oc1ccc(Cl)cc1Cl)C(=O)Oc1cccc(C=C(C#N)c2ccccc2F)c1 2320510739 AHODCFSVSHWSMW-OAHLLOKOSA-N 456.300 6.570 50 10 JKGE CC(C)(C)c1ccc(Cn2cccc(C(=O)NN=Cc3cccc(Cl)c3Cl)c2=O)cc1 2323662271 LFWYFUZJFSYYRO-UHFFFAOYSA-N 456.373 5.265 50 10 JKGE Cc1cc(C)c(NC=C(C#N)C(=O)N2CCN(C(c3ccccc3)c3ccccc3)CC2)c(C)c1 2324599251 BXVXNZLGRUGBOH-UHFFFAOYSA-N 464.613 5.365 50 10 JKGE CC[C@@H](NC=C(C#N)C(=O)Nc1ccc(Oc2ccccc2)cc1)c1ccc2c(c1)CCCC2 2325129699 HRDVOQWFEUNVMG-MUUNZHRXSA-N 451.570 6.445 50 10 JKGE CCOC(=O)c1ccc(N2C[C@@H](C(O)=C(C#N)c3nc(-c4ccccc4Cl)cs3)CC2=O)cc1 2331266873 LFLRTDLTNADXGZ-INIZCTEOSA-N 493.972 5.486 50 10 JKGE CCc1ccc(OCCCC(O)=C(C#N)c2nc(-c3ccc(F)cc3)cs2)c(Br)c1 2331344025 LBQUDLRODOCJEL-UHFFFAOYSA-N 487.394 6.926 50 10 JKGE Cc1ccc(-c2csc(C(C#N)=C(O)C=Cc3ccc(OCc4ccccc4)cc3)n2)cc1C 2331382755 FBJLYSCIYZRALA-UHFFFAOYSA-N 464.590 7.512 50 10 JKGE CCCCOc1ccc(C(O)=C(C#N)c2nc(-c3cc(C)c(Cl)cc3OC)cs2)cc1OCC 2331390205 QROCFIUQNIZEFG-UHFFFAOYSA-N 499.032 7.308 50 10 JKGE CC[C@@H](C)[C@@H](C(O)=C(C#N)c1nc(-c2c(C)cc(C)cc2C)cs1)N1C(=O)c2ccccc2C1=O 2331394481 MAGLMDXQMNZBKT-GYCJOSAFSA-N 485.609 6.239 50 10 JKGE COc1ccc(-c2csc(C(C#N)=C(O)CCCOc3ccc(Cl)cc3)n2)cc1Cl 2331398408 REKIJZSIULVWHO-UHFFFAOYSA-N 461.370 6.777 50 10 JKGE FC(F)(F)CC1([C@H](Br)c2cc(Br)ccc2OCc2ccccc2)CCC1 2336078052 NMUOIXVGJPCHMH-GOSISDBHSA-N 492.173 7.587 50 10 JKGE ClCc1cc(Br)ccc1OCc1cc(Br)cc(Br)c1 2337071417 RRPXWTVUAJGTQK-UHFFFAOYSA-N 469.398 6.292 50 10 JKGE CCOC1CC([C@H](Br)c2c(Cl)cc(Br)c(F)c2Br)C1 2337090159 KBNBDWMFHTYYJQ-OGIFLDNPSA-N 479.409 6.255 50 10 JKGE CCCc1sc(Br)cc1[C@H](Br)Cc1cccc(Br)c1 2338019664 GBHJKMBWODJDCD-CYBMUJFWSA-N 467.064 6.904 50 10 JKGE COc1ccc([C@H](Br)c2ccc(OCc3ccccc3)cc2Br)cc1OC 2361194793 KQAXBUOACHBFMN-QFIPXVFZSA-N 492.207 6.530 50 10 JKGE CCCc1sc(Br)cc1[C@H](Br)Cc1ccc(Br)cc1F 2363265197 QLBNMWCWLCJNRY-GFCCVEGCSA-N 485.054 7.043 50 10 JKGE COc1c(Br)cc(C)c([C@H](Cl)c2cccc(Br)c2)c1Br 2365182910 FEIXNHFBJRYFSZ-CQSZACIVSA-N 483.425 6.619 50 10 JKGE COc1c(Br)cc(C)c([C@H](Br)[C@@H]2CC[C@H]3C[C@@H]3C2)c1Br 2365235025 KMAXLZNMOGEHJZ-ICUOPCATSA-N 467.039 6.401 50 10 JKGE Fc1ccc([C@@H](CBr)OCc2cc(I)ccc2Cl)cc1 2380354154 VDAAKJKAZMMMMT-OAHLLOKOSA-N 469.519 5.737 50 10 JKGE CCOC(=O)c1c(-c2ccc(Cl)cc2)csc1NC(=O)/C(C#N)=C/c1ccc(OC)cc1 1932477 HVYUDOUPWULFJT-SFQUDFHCSA-N 466.946 5.799 50 10 JKGE O=C(c1ccc(Cl)s1)N(/N=C/c1ccc([N+](=O)[O-])o1)c1nc2ccc(F)cc2s1 9149106 MTPFQDPKRLFKBI-DNTJNYDQSA-N 450.860 5.332 50 10 JKGE Cc1c(Cl)cccc1N/C(SCc1ccc(F)cc1)=C(/C#N)S(=O)(=O)c1ccccc1 20325497 PFQNNVLJOGHPFS-GHVJWSGMSA-N 472.994 6.299 50 10 JKGE CCN(CC)c1ccc(/C=N/NC(=O)c2cn(Cc3ccccc3Cl)c3ccccc23)c(O)c1 20608645 VJSCBEKAUZYRKX-MUFRIFMGSA-N 474.992 5.659 50 10 JKGE Cc1cc([N+](=O)[O-])ccc1NC(=O)/C(C#N)=C\c1ccc(Oc2ccc([N+](=O)[O-])cc2C#N)cc1 33930467 BDQJEJQWPOJVEL-WQRHYEAKSA-N 469.413 5.021 50 10 JKGE CCc1ccc(Oc2nc3c(C)cccn3c(=O)c2/C=C(/C#N)c2nc3ccccc3s2)cc1 35198589 GPHHHPCQSXBUGS-CYVLTUHYSA-N 464.550 6.032 50 10 JKGE CC1(C)[C@]2(C)CC[C@@]1(C(=O)Nc1cc(Cl)c(Cl)cc1Cl)[C@H](Br)C2=O 35548879 WKUDTMOYLFZSLK-JLZZUVOBSA-N 453.591 5.744 50 10 JKGE CCCCOc1ccccc1C(=O)Oc1ccc2c(c1)OC(N)=C(C#N)[C@@H]2c1ccc(C(C)(C)C)cc1 38649877 LQXLYSRGGRECJY-MUUNZHRXSA-N 496.607 6.600 50 10 JKGE Cc1ccc(C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@@H]3c2ccc(OCc3ccccc3)cc2)cc1 38650893 UKBNTYWBSRFSHO-GDLZYMKVSA-N 488.543 6.011 50 10 JKGE CCCCCOc1ccccc1[C@H]1C(C#N)=C(N)Oc2cc(OC(=O)c3cccc(C)c3)ccc21 38685991 OZVJPEUIFJEZMA-HHHXNRCGSA-N 468.553 6.001 50 10 JKGE Cc1ccc2c(C)c(C(=O)Oc3ccc4c(c3)OC(N)=C(C#N)[C@H]4c3cccs3)oc2c1C 38688430 UBPPANVAOFHKIF-QFIPXVFZSA-N 456.523 5.857 50 10 JKGE N#C/C(=C\c1ccc(-c2c(Cl)cccc2Cl)o1)c1nc(-c2ccc([N+](=O)[O-])cc2)cs1 39885079 NKYDCXPMTPPOJS-GXDHUFHOSA-N 468.321 7.349 50 10 JKGE COc1cc(/C=C(/C#N)c2nc3ccccc3[nH]2)ccc1OCC(=O)NC12CC3CC(CC(C3)C1)C2 50568351 TVQNGUISTNXKAM-JJFYIABZSA-N 482.584 5.099 50 10 JKGE CCCCCOc1ccccc1C(=O)N/N=C/c1cc(Br)cc(Br)c1O 59147195 FDCATSMENUBSRU-WSDLNYQXSA-N 484.188 5.250 50 10 JKGE O=C(N/N=C/c1c(Oc2ccc(C(F)(F)F)cc2[N+](=O)[O-])ccc2ccccc12)c1cccc(F)c1 59463006 CGYRELZCJAQMCQ-AMVVHIIESA-N 497.404 6.462 50 10 JKGE CCCCCCOc1ccc(OCCOc2ccc(/C=C(/C#N)C(=O)Nc3ccccc3)cc2)cc1 96471989 BSWPKKFDPPMMLL-LVWGJNHUSA-N 484.596 6.649 50 10 JKGE Cc1nn(C)c(C[C@H](CBr)Cc2ccccc2Br)c1Br 97185906 HGKVVRPGUSXNNY-LLVKDONJSA-N 465.027 5.050 50 10 JKGE CCCOC(=O)c1ccc(NC(=O)[C@H](Br)[C@@H](Br)c2ccccc2)cc1 101643414 MXPBYFIBBGEFSV-DLBZAZTESA-N 469.173 5.092 50 10 JKGE Brc1cc([C@@H](Br)c2cc3c(s2)CCC3)c(Br)s1 109869755 JMWNYGDAAHVINN-LLVKDONJSA-N 457.050 6.308 50 10 JKGE CCOc1ccc(Br)cc1[C@H](Br)c1cc(Br)ccc1Cl 109871571 VLRWIRQLCXXSIM-OAHLLOKOSA-N 483.425 6.748 50 10 JKGE Clc1ccc([C@@H](Br)c2cc(Br)c(Br)s2)c(Cl)c1 128195144 AIPVJKVIJOOWJX-SNVBAGLBSA-N 479.846 7.064 50 10 JKGE CC1(C)C(=O)Nc2ccc([C@H](Br)c3cccc(I)c3)cc21 157609743 YBCIZAKBPMWQDC-OAHLLOKOSA-N 456.121 5.005 50 10 JKGE CCCCCOc1ccc(/C=C(/C#N)c2nc(-c3ccc(Cl)cc3)cs2)cc1OCC 169939694 ALECIMUZYCOTEA-ZHZULCJRSA-N 453.007 7.495 50 10 JKGE C[C@H](O[Si](C)(C)C)[C@@]1(O)CC[C@H]2[C@@H]3CC[C@H]4C[C@@H](O[Si](C)(C)C)CC[C@]4(C)[C@H]3CC[C@@]21C 195754567 PYOLIIABYCOZPT-XVJIXAHHSA-N 480.882 7.220 50 10 JKGE Fc1ccc([C@H](Br)c2cc(Br)sc2Br)cc1Cl 212991746 LFBXKJXSCKICKV-JTQLQIEISA-N 463.391 6.550 50 10 JKGE CC[C@H](NC(=O)/C(C#N)=C\NCc1ccccc1Br)c1ccc2c(c1)CCCC2 217193103 LVDHHSUYRIQWLA-ODFZLOHPSA-N 452.396 5.092 50 10 JKGE Cc1ccc2nc(-c3ccc(N/C=C(/C#N)C(=O)Nc4cc(Cl)ccc4C)cc3)sc2c1 217214801 XMVIUDUPBQIQOZ-JXAWBTAJSA-N 458.974 6.692 50 10 JKGE Cc1cc(Br)c([C@H](Cl)c2cccc(Br)c2Cl)cc1Br 228454189 FYZVZJZZQTYGNH-CYBMUJFWSA-N 487.844 7.264 50 10 JKGE CCCOc1ccc([C@@H](Br)c2sccc2Br)cc1Br 229010141 HQTDDFFXNUBJEE-CYBMUJFWSA-N 469.036 6.546 50 10 JKGE CC(C)(C)c1ccc([C@H](Br)c2cc(Br)sc2Br)s1 232511987 RQRIWGPYEAACLR-LLVKDONJSA-N 473.093 7.116 50 10 JKGE CC1(C)[C@H]2CC[C@@]1(C)[C@@H](O[C@H](CI)c1cccc(Br)c1)C2 253126404 LUVGKLLGYGQOHL-DNMXQMFDSA-N 463.197 6.157 50 10 JKGE CC1(C)C(c2ccccc2)=NN(c2ccc(C=NNC(=O)c3ccccc3O)cc2)[C@H]1c1ccccc1 254568884 MFDLIOXRPCNOGU-LJAQVGFWSA-N 488.591 6.148 50 10 JKGE CC(CCc1ccccc1)=NNC(=O)c1ccc(CN2CCC(Cc3ccccc3)CC2)cc1 254745791 OTPNIRMGZCTZTA-UHFFFAOYSA-N 453.630 5.880 50 10 JKGE Cc1cccc([C@H](Br)c2ccc(Br)s2)c1I 300349190 ZBCPRCMBULZEDW-NSHDSACASA-N 471.983 5.908 50 10 JKGE CCN(C[C@@](C)(CI)OCCCc1ccccc1)C(=O)OC(C)(C)C 301907965 QRPNKSSUDGNHRT-HXUWFJFHSA-N 461.384 5.087 50 10 JKGE C[C@@H]1CCC[C@@H](CO[C@@](C)(CI)c2ccccc2Br)C1 379879431 OSKANVKKOACDCF-CPUCHLNUSA-N 451.186 5.942 50 10 JKGE Cc1ccc(F)cc1COc1c(Br)cc(Br)cc1CBr 380359722 HVTAESMSXNSNRL-UHFFFAOYSA-N 466.970 6.133 50 10 JKGE Brc1ccc(Br)c([C@@H](Br)c2coc(Br)c2)c1 393559937 UFTQNTWGJBZNBI-NSHDSACASA-N 473.784 6.051 50 10 JKGE CN(C(=O)OC(C)(C)C)c1cccc([C@H]2CCOCCN2CCO[Si](C)(C)C(C)(C)C)c1 616656278 RQADPCMDJSGLSC-JOCHJYFZSA-N 464.723 5.843 50 10 JKGE COCc1cc(Br)c([C@@H](Cl)c2cc(Cl)c(C)cc2Br)s1 688091427 ULCIFZUQTZOTHD-ZDUSSCGKSA-N 459.030 6.710 50 10 JKGE Cc1cc(Br)c([C@H](Br)C[C@@H](C)C(F)(F)F)cc1Br 705455042 MCMGHESRURQTOZ-RDDDGLTNSA-N 452.934 6.545 50 10 JKGE BrCc1ccc(Br)cc1N1C[C@H]2CC[C@H]1[C@H]1CN(Cc3ccccc3)C[C@H]21 705884323 YVTDJQCIHWNDHI-YJMBLLCNSA-N 490.283 5.691 50 10 JKGE Cc1ccc([C@@H](Br)c2csc(I)c2)c(C)c1Br 719567294 PCCGQCHFXSQNGA-ZDUSSCGKSA-N 486.010 6.216 50 10 JKGE CC(C)Cc1nc(-c2ccc(I)c(Br)c2)oc1CCl 721321617 AVLYDVPSYVEDTA-UHFFFAOYSA-N 454.533 5.646 50 10 JKGE Cc1sc(C)c([C@H](Br)c2cc(Br)c(Br)s2)c1C 722495802 MQGPSNGHQYAJQB-LLVKDONJSA-N 459.066 6.744 50 10 JKGE CCOc1cc(C=NNC(=O)c2ccc(C(C)(C)C)cc2)ccc1OCc1cccc2ccccc12 725401587 PPQQMWSQJIDMCJ-UHFFFAOYSA-N 480.608 6.879 50 10 JKGE COc1cc(/C=C(/C#N)C(=O)Nc2cccc(C(F)(F)F)c2)ccc1OCc1ccc(F)cc1 1084003614 MWMBDXGKCDYOMO-WQRHYEAKSA-N 470.422 5.978 50 10 JKGE CCOc1ccc(NC(=O)/C(C#N)=C\c2cc(Cl)ccc2OCc2ccc(Cl)cc2)cc1 1084119813 RLMNZCQCVDVBSG-UYRXBGFRSA-N 467.352 6.517 50 10 JKGE C[C@@H](Sc1ccc(Cl)cc1)C(=O)NN=Cc1ccc(OCc2cccc(Cl)c2)cc1 1084346869 MWKGDZDOJQPXKX-MRXNPFEDSA-N 459.398 6.203 50 10 JKGE CCOc1cc(C=NNC(=O)Cc2ccc(Cl)cc2)ccc1OCc1ccc(Cl)cc1Cl 1084554645 NZHNKJPMJVLLQE-UHFFFAOYSA-N 491.802 6.317 50 10 JKGE 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 1615811147 FPFAZZFTBDKRJL-YZDAQMTOSA-N 496.688 6.212 50 10 JKGE Cc1c(C(=O)NNc2ccccc2)oc2c1C(=NNC(=O)c1ccc(-c3ccccc3)cc1)CCC2 1772747212 MARDGKSHIQCVRK-UHFFFAOYSA-N 478.552 5.482 50 10 JKGE N#CSc1ccc(NC(=O)Oc2cccc3c(NC(=O)c4cc5ccccc5[nH]4)cccc23)cc1 1858780901 DNJLAPBHSSKCFN-UHFFFAOYSA-N 478.533 6.757 50 10 JKGE Cc1nn(-c2ccc(Cl)c(Cl)c2)c2c1[C@@H](c1ccc(Cl)cc1Cl)C(C#N)=C(N)O2 1865685971 OYFYQYITSIYFMD-SFHVURJKSA-N 466.155 6.013 50 10 JKGE C=CCOc1ccccc1[C@@H]1C(C#N)=C(N)Oc2c1c(-c1ccccc1)nn2Cc1ccc(C)cc1 1865691320 PJFNNGIQZHFDOW-AREMUKBSSA-N 474.564 5.690 50 10 JKGE COc1ccc(-c2nn(Cc3ccccc3)c3c2[C@H](c2cn(C)c4ccccc24)C(C#N)=C(N)O3)cc1 1865698753 BXVSDGLQEMXGLI-SANMLTNESA-N 487.563 5.317 50 10 JKGE COc1ccc(-c2nn(Cc3c(F)cccc3Cl)c3c2[C@H](c2ccccn2)C(C#N)=C(N)O3)cc1 1865699725 AYOAGDWCJOBMTR-QFIPXVFZSA-N 487.922 5.013 50 10 JKGE COc1ccc(-c2nn(Cc3cccc(Cl)c3)c3c2[C@H](c2cccc(F)c2)C(C#N)=C(N)O3)cc1 1865711184 RSWUZIHQAVGZMT-HSZRJFAPSA-N 486.934 5.618 50 10 JKGE CCc1nn(Cc2ccc(Cl)cc2)c2c1[C@H](c1ccc(Br)cc1)C(C#N)=C(N)O2 1865715039 UDTOUYJZHAHEHJ-LJQANCHMSA-N 469.770 5.128 50 10 JKGE CC(C)Oc1ccc(/C=C(C(/O)=C(\C#N)c2nc(-c3ccccc3)cs2)\c2ccccc2)cc1 1872748010 CZHHZYLVZXLOLO-JGPVJNICSA-N 464.590 7.631 50 10 JKGE COc1ccc(-c2csc(/C(C#N)=C(\O)c3c(Cl)ccc(Cl)c3Cl)n2)c(C)c1C 1872754273 KUOANEUVRJOINO-MOSHPQCFSA-N 465.789 7.346 50 10 JKGE COc1cc(-c2csc(/C(C#N)=C(O)/C=C/c3ccc(Cl)c(Cl)c3)n2)c(OC)cc1Cl 1872754860 MIOUCSYJRDXTNQ-LCPDLFIJSA-N 493.799 7.294 50 10 JKGE CCCCOc1ccc(/C=C(\C#N)c2nc(-c3ccc(OCCC)cc3)cs2)cc1OCC 1872791175 ZYLZMZLFTBMMPS-CJLVFECKSA-N 462.615 7.241 50 10 JKGE CCCCOc1ccc(/C=C(\C#N)c2nc(-c3cc(Cl)ccc3Cl)cs2)cc1OC 1872794982 HHKQCGUFQYCDLH-MHWRWJLKSA-N 459.398 7.369 50 10 JKGE FC(F)(F)[C@@H](Br)CCc1ccc(I)c(Br)c1 1904325541 AXVDXGFWMDSEJG-VIFPVBQESA-N 471.880 5.312 50 10 JKGE ClC[C@H](C1CC1)N(Cc1ccccc1)Cc1cc(I)ccc1Cl 1905041338 RZQUNXJBKPRUSO-LJQANCHMSA-N 460.186 5.964 50 10 JKGE CC[C@@H]1CC[C@H]([C@H](Cl)c2c(Br)sc(Br)c2Br)O1 1911024308 UHPLTUCONRJUNR-KCRUCZTKSA-N 467.448 6.273 50 10 JKGE CC[C@H](Cl)CN(Cc1ccccc1)C(=O)c1csc(Br)c1Br 1915097199 RMSRXDWASQPMHE-LBPRGKRZSA-N 465.638 5.933 50 10 JKGE CN(C[C@H](Cl)COCc1ccccc1)C(=O)c1cc(Br)c(Br)s1 1916383954 TZAQFVSNVZQJOT-LBPRGKRZSA-N 481.637 5.169 50 10 JKGE Cc1c(Br)sc([C@H](Br)c2ccc(C(C)(C)C)cc2)c1Br 1922885331 UVTHAERXHFFLEK-CYBMUJFWSA-N 481.091 7.363 50 10 JKGE Brc1cc(Br)c([C@H](Br)c2cccc3ccsc23)s1 1922892957 UNBRWZYAOZMWQY-LLVKDONJSA-N 467.045 6.972 50 10 JKGE Cc1sc(Br)cc1[C@@H](Cl)c1c(Br)sc(Br)c1Cl 1923054762 JTMZKMQHAZNHDC-SSDOTTSWSA-N 499.902 7.387 50 10 JKGE COC1CC([C@H](Br)c2c(Br)sc(Br)c2Cl)C1 1923055005 NDNQLKHENBKJLW-QIYZCZBYSA-N 453.421 5.788 50 10 JKGE Cc1cccc([C@@H](Cl)[C@H](C)c2ccncc2Br)c1I 1924044490 XEZBJMSSNHCFHQ-YGRLFVJLSA-N 450.545 5.841 50 10 JKGE CC1(C)CO[C@H](C[C@H](Cl)c2c(Br)sc(Br)c2Br)C1 1924613509 JEECRCBQGSDQJD-RQJHMYQMSA-N 481.475 6.521 50 10 JKGE C[C@@H]1C[C@@]1(C)[C@@H](Br)c1c(Br)sc(Br)c1Br 1924614353 YDMJJXFPSBANJC-TZQSSRQDSA-N 481.873 6.518 50 10 JKGE Clc1sc(Br)c(Cl)c1[C@H](Br)c1cccc2ccccc12 1925599753 ORHMRWGYDYRRQR-GFCCVEGCSA-N 451.010 7.455 50 10 JKGE C[C@@H]1CC[C@H](O[C@]2(CI)CCCN(C(=O)OC(C)(C)C)C2)[C@H](C)C1 1947111277 BUFFGCRNHBJMLF-JEWRLFTDSA-N 451.389 5.032 50 10 JKGE C[C@@H](CBr)N(Cc1ccccc1)Cc1cc(Br)ccc1Br 1957337815 ZSNSLFOTZICSCM-ZDUSSCGKSA-N 476.050 5.997 50 10 JKGE Brc1csc([C@H](Br)c2cc(Br)ccc2Br)c1 1981401931 QHVRMWWPAPUMQT-LLVKDONJSA-N 489.852 6.520 50 10 JKGE Cc1cc(Br)c([C@H](Br)c2c(Cl)cccc2Br)s1 2003558324 SSGNOYFGHLWSRV-LLVKDONJSA-N 459.428 6.719 50 10 JKGE C[C@@]1(CCOCc2ccccc2)CCN1c1cccc(Br)c1CBr 2020890314 GXVPAESVTNBAHF-FQEVSTJZSA-N 453.218 5.920 50 10 JKGE Cc1cc(Br)c(C)c([C@@H](Br)C2(Br)CCC2)c1Br 2022975923 KPNCLJMVFDEGTE-GFCCVEGCSA-N 489.871 6.582 50 10 JKGE Cc1cc(C(=O)N(Cc2ccccc2)[C@H](CCl)C2CC2)ccc1I 2026130374 GFXYBCLADSUDPX-LJQANCHMSA-N 453.751 5.259 50 10 JKGE Brc1cc([C@H](Br)c2cc(Br)c3c(c2)CCO3)cs1 2030021172 JZPVJFQZTUFCLB-GFCCVEGCSA-N 452.993 5.692 50 10 JKGE COc1ccc(-c2nn(-c3ccccc3)cc2C=C(C#N)c2nc3ccccc3s2)cc1OC 2040457050 IESCQZKHDIETJH-UHFFFAOYSA-N 464.550 6.230 50 10 JKGE Cc1ccc(S(=O)(=O)C(C#N)=Cc2cn(-c3ccccc3)nc2-c2ccc3ccccc3c2)cc1 2040740847 VYDZKSZTVAGKQZ-UHFFFAOYSA-N 475.573 6.339 50 10 JKGE Fc1c(Cl)cccc1C[C@@H](Br)c1csc(Br)c1Br 2050553306 OGSOFXXDSRJVFR-MRVPVSSYSA-N 477.418 6.744 50 10 JKGE FC(F)(F)c1csc([C@@H](Br)c2cc(Br)cs2)c1Br 2052436810 KVXMMVFQBDZECH-QMMMGPOBSA-N 484.982 6.838 50 10 JKGE FC(F)(F)c1ccc(Cn2nc(-c3ccccc3)cc2CBr)cc1Br 2070080457 GOJPKGYAZMTWSU-UHFFFAOYSA-N 474.118 6.275 50 10 JKGE Clc1c(Br)cccc1C[C@H](Br)c1ccccc1Br 2081413690 UTFQPGGBOHNBBG-ZDUSSCGKSA-N 453.399 6.544 50 10 JKGE FC(F)(F)[C@H]1CCc2c(Br)cc(Br)cc2[C@@H](Br)C1 2083318186 NLMRSWLVLQNYPT-WKEGUHRASA-N 450.918 6.162 50 10 JKGE Brc1cc(Br)c([C@H](Br)[C@H]2C[C@H]3COC[C@H](C3)C2)s1 2085741178 MRFUXOCYBWFPRL-JXVAYASWSA-N 459.041 5.772 50 10 JKGE COC[C@]1([C@H](Br)c2cc(Br)c(C)cc2Br)CCCO1 2090694154 WEIZNGVGBOPTBR-KGLIPLIRSA-N 457.000 5.152 50 10 JKGE Clc1ccc(I)c(C[C@@H]2C[C@@H]3CCCC[C@H]3[C@H]2Br)c1 2095361131 ZOEFHBWTYASDPH-JPYFCXBMSA-N 453.589 6.077 50 10 JKGE C[C@@H]1CC[C@H](CC(CBr)(CBr)c2ccc(Br)cc2)C1 2101721692 FPJGCFFMOFSGPE-OLZOCXBDSA-N 453.056 6.303 50 10 JKGE Fc1ccc(CC[C@H](Br)c2cccc(Br)c2)cc1Br 2113489122 LHRGFHGHPPDFTI-ZDUSSCGKSA-N 450.971 6.420 50 10 JKGE Cc1cc(Br)c([C@H](Br)[C@@H]2CCC[C@H]2C(C)C)cc1Br 2119979503 IQZPCGXYTIPGSQ-HWWQOWPSSA-N 453.056 7.028 50 10 JKGE COc1c(Cl)cc(Br)cc1[C@H](Br)c1cccc(Br)c1 2138244931 YYJQRLZJZSMRDC-CYBMUJFWSA-N 469.398 6.358 50 10 JKGE Cc1c(Br)ccc([C@@H](Cl)c2ccc(F)c(Br)c2)c1Br 2138860964 FTDCILPOHQKCFM-AWEZNQCLSA-N 471.389 6.750 50 10 JKGE Brc1ccc([C@@H](Br)[C@@H]2C[C@H]3COC[C@H](C3)C2)c(Br)c1 2141795355 WJNPKEHCXNHMQG-SQYUCLKFSA-N 453.012 5.710 50 10 JKGE Cc1cc([C@H](Br)c2ccc(F)c(Cl)c2F)ccc1I 2142143704 MQNPZIOICQLERM-LBPRGKRZSA-N 457.483 6.016 50 10 JKGE CCCOc1ccc([C@H](Br)c2cc(Cl)c(Cl)s2)cc1Br 2156048645 BDKFFMKBZQYBHL-ZDUSSCGKSA-N 459.030 7.091 50 10 JKGE Brc1ccc(CN2CCC[C@@H]3CC[C@H](Br)C[C@@H]32)c(Br)c1 2167010384 OVBWVRCYONSMQJ-WPGHFRTFSA-N 466.055 5.740 50 10 JKGE CO[C@]1(C(F)(F)F)C[C@H]([C@H](Br)c2cc(Br)ccc2Br)C1 2182019734 LUIIHEXFVXJLSV-CQFDHEJISA-N 480.944 6.005 50 10 JKGE COc1cc(C)c(Br)cc1[C@@H](Br)c1c(C)nn(C)c1Br 2185751997 UEDLQXKKFSBSKV-CYBMUJFWSA-N 466.999 5.055 50 10 JKGE C[C@H]1CC[C@H](CC(CBr)(CBr)c2ccccc2Br)CC1 2192998255 AZAGEOILMULUOJ-HDJSIYSDSA-N 467.083 6.693 50 10 JKGE Cc1cc(Br)c(C)c([C@H](Br)[C@@H]2[C@H](C)O[C@@H](C)[C@H]2C)c1Br 2201069797 LOKWLIAXYTWYHD-WXJWDZGZSA-N 469.055 6.324 50 10 JKGE COc1cc(F)c([C@@H](Br)Cc2ccc(Br)cc2)cc1Br 2202903170 AJBLHPZLYIFGNV-LBPRGKRZSA-N 466.970 6.038 50 10 JKGE CC[C@@H]1OCC[C@@H]1[C@H](Br)c1c(Br)cc(Cl)c(Cl)c1Cl 2224302431 LQXNRGDQJOXLRA-IHBFAXJASA-N 451.413 6.660 50 10 JKGE FC1(F)[C@@H]([C@@H](Br)c2c(Br)cc(Cl)c(Cl)c2Cl)C12CC2 2224325386 XVNGBFFIUQSRLZ-XVKPBYJWSA-N 455.351 6.891 50 10 JKGE Fc1cc(Br)c(Br)cc1[C@H](Cl)c1cc(Br)ccc1Cl 2225633102 HFQDZYQZXSPBOB-CYBMUJFWSA-N 491.807 7.095 50 10 JKGE Cc1cc(Br)c([C@H](Cl)c2cc(Br)c(C)s2)c(C)c1Br 2227361786 HAZOBQDXUYSVLU-CQSZACIVSA-N 487.482 7.289 50 10 JKGE CC1(C)OCCO[C@@H]1[C@@H](Br)c1c(Br)cc(Cl)c(Cl)c1Cl 2232513337 XBRCWOICAWEHRD-JOYOIKCWSA-N 467.412 6.039 50 10 JKGE COc1cc([C@H](Br)c2cc(Br)c(Br)cc2F)ccc1F 2233973973 CHTHWVJBHOBPGF-AWEZNQCLSA-N 470.933 5.983 50 10 JKGE Fc1cc(Br)c(Br)cc1[C@@H](Br)c1ccc2c(c1)CCC2 2233976776 PYWFXJSJECJUGD-INIZCTEOSA-N 462.982 6.324 50 10 JKGE Cc1ccc([C@@H](Br)c2c(Br)cc(C)c(Br)c2C)c(Cl)c1 2235606329 VSBKZVZNCFCZPD-MRXNPFEDSA-N 481.453 7.275 50 10 JKGE CCn1cc(Br)c([C@@H](Br)c2cc(C)c(OC)cc2Br)n1 2236020458 LXPWMTYLAJQMBC-ZDUSSCGKSA-N 466.999 5.229 50 10 JKGE COc1cc(NC(=O)OCC2c3ccccc3-c3ccccc32)c(C(=O)O)cc1OC[C@@H]1C[C@@H]1Cl 2256396400 XFUAKSCCWAXJDU-NYHFZMIOSA-N 493.943 5.761 50 10 JKGE Brc1cc2sc([C@H](Br)c3ccccc3OCc3ccccc3)cc2s1 2263557969 GSOCYWFNYDTNLN-HXUWFJFHSA-N 494.273 7.789 50 10 JKGE Cc1c(Br)ccc([C@@H](Br)C[C@@H]2CCCC23CC3)c1Br 2266619909 DYWDGNZLYMVISB-FZMZJTMJSA-N 451.040 6.926 50 10 JKGE Cc1scc([C@H](Br)c2c(F)cc(Br)c(F)c2Br)c1C 2272733427 MEUTUEYKLIJVRU-NSHDSACASA-N 474.990 6.652 50 10 JKGE Fc1cc(Br)c(F)c(Br)c1[C@H](Br)[C@@H]1[C@H]2CCOC[C@H]21 2272855024 JNTUURZZKFBXAC-WQRVWIMNSA-N 460.938 5.208 50 10 JKGE Fc1cc(Br)c(F)c(Br)c1[C@@H](Br)C12COCC(C1)C2 2273079733 XCWMNVGUVCEYBW-SKPUXYCPSA-N 460.938 5.352 50 10 JKGE CC1(C)[C@H]2CO[C@@]1([C@H](Br)c1cc(Br)c(Br)cc1F)C2 2273632610 XHLNPNZTIFBFMM-QVCNTJRGSA-N 456.975 5.602 50 10 JKGE COc1c(Br)cc(Cl)c(C)c1[C@@H](Br)c1occc1Br 2277985792 UJHDKHIFSVQDGP-LLVKDONJSA-N 473.386 6.259 50 10 JKGE C[C@@H](Cl)c1nc2cc(CF)ccc2n1CC1(N(Cc2ccccc2)Cc2ccccc2)COC1 2283575079 WOLJAOGUZXEKBE-OAQYLSRUSA-N 478.011 6.277 50 10 JKGE CC1(C)OCCC[C@@H]1[C@@H](Br)c1c(F)cc(Br)c(F)c1Br 2288364589 SWOGWYDVBMZKHC-RDDDGLTNSA-N 476.981 6.131 50 10 JKGE Fc1cc(Br)c(F)c(Br)c1[C@H](Br)[C@H]1CCC[C@H]1C(F)F 2288488245 GGFASBHZGMJZJI-BAJZRUMYSA-N 482.935 6.607 50 10 JKGE CN(Cc1ccc(Br)cc1Br)[C@H](CBr)c1ccccc1 2296477868 ODGHFDQIVYFTFG-MRXNPFEDSA-N 462.023 5.780 50 10 JKGE N#CC(=Cc1ccc(-c2cc(C(F)(F)F)ccc2Cl)o1)C(=O)Nc1cccc([N+](=O)[O-])c1 2296819029 MKFLZYIVBJGVCL-UHFFFAOYSA-N 461.783 6.073 50 10 JKGE O=C(N[C@H](CCCl)COCc1ccccc1)c1c(Br)cccc1Br 2303707125 PDIQMSWXCGXZSL-CQSZACIVSA-N 475.608 5.156 50 10 JKGE Cc1c(Br)sc([C@@H](Br)C[C@H]2CCC[C@@H]3C[C@H]23)c1Br 2309958303 YJXSWYAPEMCTTM-ZNSHCXBVSA-N 457.069 6.844 50 10 JKGE Brc1ccc(OCc2ccccc2)c([C@H](Br)CC[C@H]2CCCCO2)c1 2314449216 OCWBDUMPOPKRLW-UYAOXDASSA-N 468.229 6.813 50 10 JKGE Cc1ccc(C[C@H]2SC(=C(C#N)C(=O)Nc3ccccc3)N(c3ccc(C(C)C)cc3)C2=O)cc1C 2314591721 CHGPRCRUNABQHH-HHHXNRCGSA-N 495.648 6.492 50 10 JKGE Cc1cccc(C[C@@H]2SC(=C(C#N)C(=O)Nc3ccccc3C)N(c3ccc(C)c(C)c3)C2=O)c1 2314592481 VFUQHTGVRVUDPQ-SANMLTNESA-N 481.621 5.985 50 10 JKGE Cc1cnc(Oc2cc(Br)cc(I)c2)c(CBr)c1 2316760759 XVCFPFMDYGZMKL-UHFFFAOYSA-N 482.941 5.444 50 10 JKGE ClCc1cccc(Cl)c1Oc1cc(Br)cc(I)c1 2316760765 XXJJVBWPZXOBAJ-UHFFFAOYSA-N 457.920 6.238 50 10 JKGE COc1ccc([C@H](Br)c2sc(Cl)cc2I)cc1C 2316776331 BJAZNZMPVPGBGE-LBPRGKRZSA-N 457.558 5.807 50 10 JKGE Cc1cc(Br)c(F)c(Br)c1[C@H](Br)C[C@H](C)C(F)F 2317399102 HCNMSGAAJPZSEF-NKWVEPMBSA-N 452.934 6.386 50 10 JKGE C[C@@]12CC3CC(C(=O)NN=Cc4ccc(OCc5ccccc5)c(Cl)c4)(C1)C[C@](C)(C3)C2 2323141673 FWRYNBRSWCPUBZ-AEXOJCPESA-N 451.010 6.366 50 10 JKGE COc1cc(C=C(C#N)c2nc3ccccc3s2)cc([N+](=O)[O-])c1OCc1ccccc1C 2323831609 KPZUKDKUUBQHKM-UHFFFAOYSA-N 457.511 6.165 50 10 JKGE COc1cc(C=C(C#N)c2nc3ccccc3[nH]2)ccc1OCC(=O)Nc1ccc(C)cc1C 2331020504 QXSYPQRQMFRCCY-UHFFFAOYSA-N 452.514 5.270 50 10 JKGE COC(=O)c1ccc2c(O)nc(C(C#N)=Cc3cccc(OCc4ccccc4Cl)c3)nc2c1 2331046365 JTUACUZGMLGFMO-UHFFFAOYSA-N 471.900 5.419 50 10 JKGE COc1ccc(C=C(C(O)=C(C#N)c2nc(-c3ccc4c(c3)CCCC4)cs2)c2ccccc2)cc1 2331240135 VSEWRDQFOWXFRQ-UHFFFAOYSA-N 490.628 7.731 50 10 JKGE COc1cc(-c2csc(C(C#N)=C(O)COc3ccc(Cl)c(C)c3)n2)c(OC)cc1Cl 2331376827 AOCUEBRCDMVRIB-UHFFFAOYSA-N 477.369 6.314 50 10 JKGE COc1cc(C(O)=C(C#N)c2nc(-c3c(C)cc(C)cc3C)cs2)c([N+](=O)[O-])cc1OC 2331394419 FRCKETWMGYVRFG-UHFFFAOYSA-N 451.504 5.611 50 10 JKGE COc1ccc(OCCCC(O)=C(C#N)c2nc(-c3cc(C(C)(C)C)ccc3C)cs2)cc1 2331397024 ADJWDXYWCRBTOI-UHFFFAOYSA-N 462.615 7.077 50 10 JKGE COc1cc(C)c(-c2csc(C(C#N)=C(O)CCCOc3ccccc3Cl)n2)cc1C 2331402903 FUNAUTSFJQXUHL-UHFFFAOYSA-N 454.979 6.741 50 10 JKGE N#CC(=Cc1ccccc1OCc1ccccc1Cl)c1nc(-c2ccc(Cl)c(Cl)c2)cs1 2331443931 PIUFDBIEVZFOLD-UHFFFAOYSA-N 497.834 8.413 50 10 JKGE CCCCCOc1ccc(C=C(C#N)c2nc(-c3c(C)c(C)cc(C)c3C)cs2)cc1OCC 2331468510 SUSPNXJLFXFPMP-UHFFFAOYSA-N 474.670 8.076 50 10 JKGE FC1(F)CC[C@@H]2[C@@H]([C@H](Br)Cc3cc(Br)cc(Br)c3)[C@@H]21 2335066338 FNKDFZYVPSYWHR-FVCCEPFGSA-N 458.966 5.809 50 10 JKGE Brc1cc(OCc2ccccc2)ccc1[C@H](Br)c1ccccc1C1CC1 2336039644 YTYZZWUSTGNKKK-HSZRJFAPSA-N 472.220 7.390 50 10 JKGE COc1cc([C@H](Br)c2cscc2OCc2ccccc2)c(OC)cc1Cl 2338232916 YIJYPMKEYOYPDG-FQEVSTJZSA-N 453.785 6.482 50 10 JKGE Cc1c(F)ccc([C@@H](Br)c2cc(Br)ccc2Br)c1Cl 2338563186 IOGYKVBMGNVMBL-CYBMUJFWSA-N 471.389 6.797 50 10 JKGE CC(C)CO[C@@H]1[C@@H](Br)C[C@H]1Oc1cc(Br)cc(Br)c1 2338758006 ONRVNMSGOOPSPN-BFHYXJOUSA-N 457.000 5.167 50 10 JKGE COc1c(Br)cc(C)c([C@H](Cl)c2ncsc2Br)c1Br 2339638420 ANHPXYBYCAEDCB-VIFPVBQESA-N 490.442 6.076 50 10 JKGE COc1c(Br)cc(C)c([C@H](Br)C2(CCF)CC2)c1Br 2339638597 COMWBASLGRLQHP-ZDUSSCGKSA-N 458.991 6.104 50 10 JKGE Cc1cc(Br)c(F)c(Br)c1[C@@H](Br)[C@@H]1C(C)(C)C1(F)F 2339653361 IPOVRVDFIYRRID-MWLCHTKSSA-N 464.945 6.386 50 10 JKGE Cc1cc(Br)c(C)c([C@H](Br)[C@@H]2O[C@H]3CC[C@H]2C3)c1Br 2352547007 BVKFXDKKJTYKTL-FCIDVOKBSA-N 453.012 5.832 50 10 JKGE Cc1cc(Br)cc([C@H](Cl)c2c(F)cc(Cl)c(Br)c2Cl)c1 2360493578 MOBYOQOYMFUIMS-ZDUSSCGKSA-N 461.383 7.294 50 10 JKGE C[C@@H]1OC2(C)CC1([C@H](Br)c1c(Cl)cc(Br)c(F)c1Br)C2 2362229941 WKYOVOAIYRESJE-JMFIZIKISA-N 491.420 6.398 50 10 JKGE C[C@@H]1CC[C@@H](C(C)(C)Cc2ccc(Cl)c(I)c2)[C@H](Br)C1 2362431313 FLFBFQYDVWJTKQ-MRVWCRGKSA-N 469.632 6.713 50 10 JKGE COc1ccc([C@H](Br)c2c(Br)nc(C)n2C)c(Br)c1Cl 2362444555 NIRPEUGSWJMZFO-JTQLQIEISA-N 487.417 5.400 50 10 JKGE COc1ccc(C[C@H](Br)c2c(Br)sc(C)c2C)c(Br)c1 2364192396 JTOGYNGJQSYVGF-ZDUSSCGKSA-N 483.063 6.577 50 10 JKGE Cc1cc(Br)c(F)c(Br)c1[C@H](Br)[C@@H]1C[C@@H]2CCCC[C@@H]21 2365221578 VIJDQVCHOQKINH-KZWBYHQPSA-N 469.030 6.921 50 10 JKGE ClC[C@@H](Cc1ccc(Cl)cc1)Cc1ccc(I)c(Br)c1 2377331046 TWVAUGRDGDYLBM-ZDUSSCGKSA-N 484.002 6.347 50 10 JKGE O=C(NC1CCCCCC1)[C@@H](c1ccc(Cl)cc1)N(Cc1ccc(F)cc1)C(=O)CCl 3038773 RMUICAAUNNBWBO-HSZRJFAPSA-N 465.396 5.627 50 10 JKGE CCN(CC)c1ccc([C@@H]2C(C#N)=C3N=C(N)c4ccccc4N3C3=C2C(=O)CC(C)(C)C3)cc1 3654497 OZYNYLITHIRUEW-RUZDIDTESA-N 465.601 5.234 50 10 JKGE COc1cccc2cc(-c3nn(-c4ccccc4)cc3/C=C(\C#N)C(=O)NC3CCCCC3)oc12 33515842 ZYSREVDMUSMXAZ-HMMYKYKNSA-N 466.541 5.650 50 10 JKGE Cc1cc(/C=C(/C#N)C(=O)NC[C@H]2CCCO2)c(C)n1-c1ccc(OCc2ccc(F)cc2)cc1 33695675 KEAQAGUFMOBJRR-AIYGHVSQSA-N 473.548 5.014 50 10 JKGE N#C/C(=C\c1ccc(-c2cccc(C(F)(F)F)c2)o1)C(=O)Nc1cc(Cl)cc(Cl)c1 35519061 SJFAGUDPDVRZHK-NTUHNPAUSA-N 451.231 6.818 50 10 JKGE CCCCCOc1ccc(C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@H]3c2ccccc2OC)cc1 38650028 YHXZSEXKGMOLQQ-MHZLTWQESA-N 484.552 5.702 50 10 JKGE C=CCOc1ccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4ccccc4C)ccc32)cc1OC 38680800 HYLIPCLSPLAHOW-SANMLTNESA-N 468.509 5.006 50 10 JKGE CCOc1ccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)[C@@H](C)Oc4ccc(C(C)C)cc4)ccc32)cc1 38685930 SLRPGMOGXGPFLV-WHLCRQNOSA-N 498.579 5.800 50 10 JKGE COc1cccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4oc5cc(C)c(C)cc5c4C)ccc32)c1 38687320 LFAKWEIYRSGZLM-SANMLTNESA-N 480.520 5.804 50 10 JKGE CCc1ccc2oc(C(=O)Oc3ccc4c(c3)OC(N)=C(C#N)[C@@H]4c3ccc(F)cc3)c(C)c2c1 38688075 YERLJOPPSXXYOL-RUZDIDTESA-N 468.484 5.880 50 10 JKGE CCCOc1c(Cl)cc(C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@H]3c2ccc(C)o2)cc1Cl 38688680 GKYJUFALKJLDKA-QFIPXVFZSA-N 499.350 6.121 50 10 JKGE N#CC1=C(N)Oc2cc(OC(=O)c3sc4ccccc4c3Cl)ccc2[C@@H]1c1cccc(F)c1 38700469 FVTQSUQWMUIKCO-NRFANRHFSA-N 476.916 6.131 50 10 JKGE Cc1cccn2c(=O)c(/C=C(/C#N)C(=O)Nc3cccc(Cl)c3Cl)c(Oc3ccccc3)nc12 39858502 TULLUFZTUFOFFY-SSZFMOIBSA-N 491.334 5.648 50 10 JKGE Cc1c(C(=O)Nc2cc(Cl)cc(Cl)c2)oc2c1/C(=N/NC(=O)c1ccc(O)cc1)CCC2 40812036 QRJWFAGQGPLDSC-OVVQPSECSA-N 472.328 5.323 50 10 JKGE COc1cc(/C=C(\C#N)c2ccc(Cl)cc2)ccc1OC(=O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1 40847912 HOMUQRRZDNBJHE-CAOOACKPSA-N 479.832 5.448 50 10 JKGE COc1ccc(CNC(=O)/C(C#N)=C/c2ccc(OCc3ccc(Cl)c(Cl)c3)c(OC)c2)cc1 59224879 JZOLPDDWZHFYGP-RGVLZGJSSA-N 497.378 5.813 50 10 JKGE CCCC[C@@H](CC)CN(C(=O)CCl)[C@H](C(=O)NC1CCCCC1)c1ccc(Cl)cc1 97914296 YZBAHIQECUWVMB-JPYJTQIMSA-N 455.470 6.114 50 10 JKGE CCc1ccc(N2C(=O)[C@@H](Cc3ccc(C)c(C)c3)S/C2=C(/C#N)C(=O)Nc2ccccc2)cc1 101244392 DSLNAOWECXNVDJ-SJCFVWOQSA-N 481.621 5.931 50 10 JKGE CCc1ccc(-c2csc(/C(C#N)=C\Nc3ccccc3OC(F)(F)[C@H](F)Cl)n2)cc1 102419919 MJAIXSOSBBNFCP-JQFUVSSDSA-N 463.912 6.855 50 10 JKGE Oc1ccc2ccccc2c1/C=N\CCSSCC/N=C\c1c(O)ccc2ccccc12 105895149 MTAGTEICODASJG-HJTNQMAYSA-N 460.624 6.324 50 10 JKGE CCOc1ccc([C@@H](Br)c2cc(Br)c(C)cc2Br)cc1 128731442 DTYVZIARQBOEHR-MRXNPFEDSA-N 463.007 6.403 50 10 JKGE Fc1cccc(C[C@@H](CBr)c2ccccc2Br)c1Br 157912866 SOBIKZMFAVVZPJ-NSHDSACASA-N 450.971 6.072 50 10 JKGE CC[C@H](C)[C@@H](c1ccccc1)[C@@H](Br)c1cc(Br)sc1Br 217557936 GNVAUDFLRIMIRY-LKTVYLICSA-N 481.091 7.539 50 10 JKGE CC[C@@H](C)c1ccc([C@H](Br)c2ccc(I)c(Cl)c2)cc1 232342871 ZVNWUAUYGFAFKT-DIFFPNOSSA-N 463.584 6.942 50 10 JKGE O=[N+]([O-])c1ccccc1C[C@@H](Br)c1cc(Br)cc(Br)c1 232478004 QJXPDUHCLKTMQA-CYBMUJFWSA-N 463.951 5.799 50 10 JKGE CC(C)c1ccc([C@@H](Br)c2cc(Br)ccc2I)cc1 232761770 WZRGPEZKWOUQAM-MRXNPFEDSA-N 494.008 6.661 50 10 JKGE COc1ccc(Br)cc1[C@H](Cl)c1cc(Br)sc1Br 234817173 UWIVXOYPHAKXNH-NSHDSACASA-N 475.427 6.372 50 10 JKGE COc1cc(Br)c([C@@H](Br)c2cc(Cl)sc2Cl)cc1OC 234923096 BCPMMINQOMORGA-GFCCVEGCSA-N 461.002 6.319 50 10 JKGE Cl[C@@H](c1ccc(Br)cc1)c1cc(Br)ccc1I 236032668 BXCMXJDOXCUBOD-ZDUSSCGKSA-N 486.372 6.144 50 10 JKGE CC(=NNC(=O)c1ccc(NN=C(C)c2cc3ccccc3o2)cc1)c1cc2ccccc2o1 254516315 UIXLAGOKACDFQR-UHFFFAOYSA-N 450.498 6.169 50 10 JKGE C=CCOc1ccc(C(=O)NN=Cc2c(OC(=O)c3ccc(C)cc3)ccc3ccccc23)cc1 254559439 CBAITCCPDRJKDI-UHFFFAOYSA-N 464.521 5.696 50 10 JKGE CCOc1ccc(C(=O)NN=Cc2c(OC(=O)c3ccc(OCC)cc3)ccc3ccccc23)cc1 254582586 WHYQNTFJIMQASB-UHFFFAOYSA-N 482.536 5.620 50 10 JKGE O=C(NN=Cc1ccc(OCc2ccccc2)c(OCc2ccccc2)c1)c1ccc2ccccc2n1 254700176 GWRAEVHNILYFAC-UHFFFAOYSA-N 487.559 6.157 50 10 JKGE BrCc1ccc(N2C[C@@H]3CCN(Cc4ccccc4)C[C@@H]3C2)c(Br)c1 311206262 JMAOFQRFXCMXAD-RBUKOAKNSA-N 464.245 5.302 50 10 JKGE Br[C@@H](c1ccc(C2CCCCC2)cc1)c1sccc1I 312405227 PQOHHFVPPCXDPI-INIZCTEOSA-N 461.206 6.885 50 10 JKGE Cc1c(I)cccc1-n1c(CCl)nc2c(Br)cccc21 312424549 RTYJGVIXFHLSGT-UHFFFAOYSA-N 461.528 5.440 50 10 JKGE Clc1cc(Oc2ccc(Br)cc2CBr)ccc1Br 313528704 ZTFAWKMBXZRIIH-UHFFFAOYSA-N 455.371 6.552 50 10 JKGE COc1cc(Br)ccc1[C@H]1CN(Cc2ccccc2)C[C@H]1CI 382696885 LFCBQUABRKRPOC-QAPCUYQASA-N 486.191 5.108 50 10 JKGE Fc1cc2c(cc1Br)nc(CCl)n2CC1CCN(Cc2ccccc2)CC1 397560610 VYVBJJUVPUPJQR-UHFFFAOYSA-N 450.783 5.589 50 10 JKGE Clc1ccc(I)c(C[C@@H](CBr)Cc2ccccc2Cl)c1 405542425 SZHGWWJUNFYOQJ-NSHDSACASA-N 484.002 6.394 50 10 JKGE CC(C)(C)OC(=O)Nc1ccccc1[C@H]1CCN(CCO[Si](C)(C)C(C)(C)C)c2ccccc21 616591065 WPJZBHAKIWNMTL-OAQYLSRUSA-N 482.741 7.397 50 10 JKGE ClCc1nc2cc(Br)cnc2n1-c1cc(Cl)ccc1I 689767670 LSTKLOCWBPPBCP-UHFFFAOYSA-N 482.934 5.180 50 10 JKGE CO[C@](C)(COCc1ccccc1)Cn1c([C@H](C)Cl)nc2cc(Br)cnc21 702787122 ZHLMBRYJSFTLLX-XOBRGWDASA-N 452.780 5.116 50 10 JKGE Cc1cc(COc2c(Br)cc(Br)cc2CBr)c(C)nn1 720562133 VJOSHCIYDWHEPM-UHFFFAOYSA-N 464.983 5.092 50 10 JKGE Cc1cc([C@@H](Cl)c2ccc(I)c(Br)c2)c(F)cc1F 721604345 OMYPBVOCHRXPDI-AWEZNQCLSA-N 457.483 5.969 50 10 JKGE O=[N+]([O-])c1ccccc1C[C@H](Br)c1cccc(F)c1I 721738328 WSVSNWFEIIGYKO-NSHDSACASA-N 450.045 5.017 50 10 JKGE Cc1cccc(CNC(=O)[C@@H](c2cccs2)N(C(=O)CCl)c2cccc(C(F)(F)F)c2)c1 725238601 WEBUWUDNZKRPBJ-OAQYLSRUSA-N 480.939 5.705 50 10 JKGE CCOc1ccc([C@H](O)CCC(=O)NN=Cc2cn(Cc3ccc(F)cc3)c3ccccc23)cc1 725384872 APJNSVATBYRCSE-HHHXNRCGSA-N 473.548 5.191 50 10 JKGE Cc1cc(C=NNC(=O)CSCc2ccc(Cl)cc2)c(C)n1-c1cc(Cl)ccc1Cl 1084033316 DATWGWZFRRCNBU-UHFFFAOYSA-N 480.848 6.438 50 10 JKGE CCOc1cc(C=NNC(=O)c2cccc(Br)c2)ccc1OCc1ccccc1Cl 1084215325 NOMMMIABNBDICA-UHFFFAOYSA-N 487.781 5.844 50 10 JKGE Cc1cc(/C=C(\C#N)C(=O)Nc2ccc(Cl)cc2)c(C)n1-c1ccc(N2CCOCC2)cc1 1084653232 URXOPPDPARRITR-LTGZKZEYSA-N 460.965 5.130 50 10 JKGE COc1ccc(N2N=C(C#N)C3=C([C@@H]2c2ccccc2)[C@@H](c2ccc(Cl)cc2)C(C#N)=C(N)O3)cc1 1088680962 DFKWOJSUUCRTMX-AHWVRZQESA-N 493.954 5.551 50 10 JKGE 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 1615811148 FPFAZZFTBDKRJL-ZMARABETSA-N 496.688 6.212 50 10 JKGE Cc1ccc(C(=O)NN=C2CCCc3oc(C(=O)Nc4ccc(Br)cc4)c(C)c32)cc1 1772745385 ZRDCASWEFOCMDL-UHFFFAOYSA-N 480.362 5.382 50 10 JKGE Cc1c(C(=O)Nc2cc(Cl)cc(Cl)c2)oc2c1C(=NNC(=O)c1cccs1)CCC2 1772749036 JALLIDIBFOGQHJ-UHFFFAOYSA-N 462.358 5.679 50 10 JKGE COc1cccc(C(=O)Nc2cccc3c(OC(=O)Nc4ccc(SC#N)cc4)cccc23)c1 1858769312 KHSVCXDRTQVYFY-UHFFFAOYSA-N 469.522 6.285 50 10 JKGE CCCCC1CCC(C(=O)NCc2ccc(OC(=O)Nc3ccc(SC#N)cc3)cc2)CC1 1858903111 HUHKHCRWHYVXNB-UHFFFAOYSA-N 465.619 6.483 50 10 JKGE N#CC1=C(N)Oc2c(c(-c3ccccc3)nn2-c2cccc(Cl)c2)[C@H]1c1cccc2ccccc12 1865682001 CVKJTHAFLUUCQZ-VWLOTQADSA-N 474.951 6.564 50 10 JKGE CCCCCOc1ccc([C@H]2C(C#N)=C(N)Oc3c2c(-c2ccccc2)nn3C)cc1OCC 1865691611 WJULHIKBCFIMFQ-QHCPKHFHSA-N 458.562 5.273 50 10 JKGE CCCCCCOc1ccc([C@H]2C(C#N)=C(N)Oc3c2c(-c2ccccc2)nn3C)cc1OC 1865695960 JHCFVMDTCQQNAA-QHCPKHFHSA-N 458.562 5.273 50 10 JKGE COc1ccc(-c2nn(Cc3cc(C)ccc3C)c3c2[C@H](c2ccco2)C(C#N)=C(N)O3)cc1 1865698341 QKWPZZAICKXDIM-QHCPKHFHSA-N 452.514 5.035 50 10 JKGE Cc1ccsc1[C@H]1C(C#N)=C(N)Oc2c1c(-c1ccccc1)nn2-c1cccc2ccccc12 1865699115 LAWKLDVPHLGMRW-QHCPKHFHSA-N 460.562 6.281 50 10 JKGE COc1cc([C@@H]2C(C#N)=C(N)Oc3c2c(C(F)(F)F)nn3-c2cccc(Cl)c2)cc(Cl)c1O 1865707103 NOLYKRQXCYALCI-OAHLLOKOSA-N 497.260 5.130 50 10 JKGE N#CSc1ccc(NC(=O)[C@@H](Cc2ccc(F)cc2)NC(=O)CCCc2cccc(Cl)c2)cc1 1867119947 WUZVDCPIPRVWNC-XMMPIXPASA-N 496.007 5.741 50 10 JKGE COc1ccc(-c2csc(/C(C#N)=C(\O)c3cc(C(F)(F)F)cc(C(F)(F)F)c3)n2)cc1F 1872752518 HFNSWYSZZCYYPP-JXAWBTAJSA-N 488.384 6.945 50 10 JKGE CCOc1ccc(CC/C(O)=C(\C#N)c2nc(-c3ccc(OC)c(C)c3C)cs2)cc1OC 1872754533 XJJMURJLVPXCPZ-XDOYNYLZSA-N 464.587 6.268 50 10 JKGE CCOc1ccc(OCC)c(-c2csc(/C(C#N)=C/c3ccc(OCc4ccccc4)cc3)n2)c1 1872792778 QKEYQMUEGGABOK-XQNSMLJCSA-N 482.605 7.251 50 10 JKGE CCOc1cc(C(=O)Nc2sc(/C(C)=C/C#N)c(C)c2C(=O)OC)cc(OCC)c1OCC 1873427506 UUSKZEGNPBXDKL-GXDHUFHOSA-N 472.563 5.218 50 10 JKGE Cl[C@H](c1ccc(Br)s1)c1cc(Br)ccc1OCc1ccccc1 1899860319 GDPZDVNDMLRHQF-SFHVURJKSA-N 472.629 7.180 50 10 JKGE C[C@H]1CN(Cc2ccccc2)CC[C@@H]1n1c(CCl)nc2c(Br)cc(F)cc21 1912683300 GAXMFFRMYLFLKO-KSSFIOAISA-N 450.783 5.760 50 10 JKGE Cc1nsc(Br)c1[C@@H](Cl)c1scc(C(F)(F)F)c1Br 1912975761 PWESVBFUMSZFRQ-SSDOTTSWSA-N 455.546 6.385 50 10 JKGE Cc1c(Br)sc([C@H](Br)[C@@H]2C[C@@H]3C[C@H]3C[C@@H]2C)c1Br 1922931148 ZPTNKEZQDXGWTD-UNUCDPEXSA-N 457.069 6.700 50 10 JKGE Cc1c(Br)sc([C@H](Br)C(C)(C)C2CCCCC2)c1Br 1922933148 SKAIJAJPETVXKR-ZDUSSCGKSA-N 473.112 7.624 50 10 JKGE Cc1c(Br)sc([C@H](Br)c2ccc(F)c(Cl)c2)c1Br 1922953312 BRQVZNUSIQNMEP-SNVBAGLBSA-N 477.418 6.858 50 10 JKGE Clc1c(Br)sc(Br)c1[C@H](Br)[C@@H]1CC[C@H]2C[C@H]2C1 1923050484 VXZASGJAMYQGFX-VOQBNFLRSA-N 463.460 6.799 50 10 JKGE Fc1cccc([C@@H](Br)c2c(Br)sc(Br)c2Cl)c1Cl 1923054507 GLNIBLFNBHHEQL-SSDOTTSWSA-N 497.836 7.203 50 10 JKGE C[C@@H](c1ccncc1Br)[C@H](Br)c1cc(F)ccc1Br 1924040166 NZMYJOVSGWMRSD-RTHLEPHNSA-N 451.959 5.985 50 10 JKGE Cc1ccoc1[C@@H](Br)c1c(Br)sc(Br)c1Br 1924576389 NNEZJSZSIAEWKU-LURJTMIESA-N 493.840 6.421 50 10 JKGE Cl[C@@H](c1c(Br)sc(Br)c1Br)C12CCC(CC1)C2 1924611682 DSBIARFSMZFRNG-HTARLIKDSA-N 463.460 6.896 50 10 JKGE Clc1cscc1[C@H](Cl)c1c(Br)sc(Br)c1Br 1924612176 JXDDXLFNZRGFKY-ZETCQYMHSA-N 485.875 7.079 50 10 JKGE Clc1cc(Br)c([C@@H](Br)c2sccc2I)s1 1933590247 WUFJLYHDZACXSG-SSDOTTSWSA-N 498.430 6.314 50 10 JKGE C[C@@H]1CCO[C@H]1C[C@@H](Br)c1c(Br)sc(Br)c1Cl 1951104707 GOAQMNVWUGPQGN-QYNIQEEDSA-N 467.448 6.178 50 10 JKGE Clc1cscc1COc1c(Br)cc(Br)cc1CBr 2056765608 KEDHFPPSHNDFJW-UHFFFAOYSA-N 475.427 6.400 50 10 JKGE Cc1sc(Br)c([C@@H](Br)c2cc(Br)ccc2F)c1C 2082885640 RQCAKXBWCBUGSM-LBPRGKRZSA-N 457.000 6.513 50 10 JKGE Cc1c(Br)ccc([C@H](Br)CCOCC(F)F)c1Br 2083341521 ZWDJGHXWCPBCFV-SNVBAGLBSA-N 450.943 5.628 50 10 JKGE CC1(C)CC[C@H](CBr)N1C(=O)c1scc(Br)c1Br 2084972371 DRVSINYKUWLHKL-SSDOTTSWSA-N 460.029 5.051 50 10 JKGE Clc1ccccc1C[C@@H](Cl)c1ccc(Br)cc1I 2086145830 RVHIQACOSFSDCD-CYBMUJFWSA-N 455.948 6.230 50 10 JKGE ClCc1cc(Br)cc(Br)c1OCc1snc(Cl)c1Cl 2110934447 JGQHVVABKKZYJM-UHFFFAOYSA-N 466.409 6.293 50 10 JKGE Clc1ccc(CC[C@H](Br)c2ccc(Br)cc2)c(Br)c1 2113485341 PXFZHZCFDRUHDM-AWEZNQCLSA-N 467.426 6.934 50 10 JKGE O=C(c1cc(Br)sc1Br)N1C[C@@H](Br)CCC12CCC2 2117904606 RUJKGULOBVHDMM-QMMMGPOBSA-N 472.040 5.195 50 10 JKGE Fc1cc(Br)c([C@H](Br)c2ccccc2Br)c(F)c1Cl 2136967579 WAPXZGONNJIAQZ-LLVKDONJSA-N 475.352 6.628 50 10 JKGE Cc1c(Br)ccc([C@@H](Cl)c2cc(Cl)cc(Br)c2)c1Br 2138868073 ZLNGMLJPFOLYEN-AWEZNQCLSA-N 487.844 7.264 50 10 JKGE BrCC(CBr)(Cc1csc(Br)c1)C1CCCCCC1 2139780494 OQRXUWLBQAASNE-UHFFFAOYSA-N 473.112 6.800 50 10 JKGE Cc1cc(F)c(Cl)cc1[C@@H](Cl)c1ccc(Br)cc1I 2142278653 GFDIACLNBAAMER-AWEZNQCLSA-N 473.938 6.483 50 10 JKGE COc1ccc(OCc2cccc(Br)c2Br)c(CBr)c1 2148753876 YCCOZABKXFQWPN-UHFFFAOYSA-N 464.979 5.694 50 10 JKGE Fc1cc2nc(CCCl)n(C3CC(COCc4ccccc4)C3)c2cc1Br 2149051574 PXVPCFYKVSNLED-UHFFFAOYSA-N 451.767 5.887 50 10 JKGE CC(C)(C)C[C@H](CBr)CNC(=O)c1cc(Br)cc(Br)c1 2156326631 PKKBARWBGVHFQJ-SNVBAGLBSA-N 470.043 5.389 50 10 JKGE O=C(c1cc(Br)sc1Br)N1CCC[C@@H]2CC[C@@H](Br)C[C@@H]21 2167014498 WLSQBWKVJADGME-KKZNHRDASA-N 486.067 5.441 50 10 JKGE CCOc1cc(Br)c([C@H](Br)C2(Br)CCC2)cc1OCC 2168169326 OSUGZDWKCRAAEH-AWEZNQCLSA-N 471.027 6.000 50 10 JKGE CC1(C)C[C@H](CBr)CN(C(=O)c2ccc(Br)cc2Br)C1 2172584640 DXJKZUMPXFILHY-SNVBAGLBSA-N 468.027 5.095 50 10 JKGE CCOc1ccc(Br)cc1[C@H](Br)c1nn(CC)cc1Br 2181171543 AJNZHMOOJJPXER-ZDUSSCGKSA-N 466.999 5.311 50 10 JKGE Clc1cccc([C@H](CI)OCc2cc(Cl)ccc2Br)c1 2200750386 HEMAWYCAQLSPDO-HNNXBMFYSA-N 485.974 6.449 50 10 JKGE COc1c(Br)cc(C)cc1[C@@H](Cl)c1cccc(C)c1I 2203813996 CRQKSDCQBPCTCS-AWEZNQCLSA-N 465.556 6.007 50 10 JKGE CCc1cc([C@H](Cl)c2ccc(Br)cc2I)c(F)cc1F 2207263238 WKVKXKQQWCNMCK-OAHLLOKOSA-N 471.510 6.223 50 10 JKGE Cc1ccc(I)c([C@@H](Br)c2cc(C)c(Br)s2)c1 2217422175 FPPVWOYMJOJUCE-GFCCVEGCSA-N 486.010 6.216 50 10 JKGE Cc1cc(Br)c(C)c([C@@H](Br)[C@@]2(Cl)CC2(C)C)c1Br 2222047983 OFVVIHFFJYBHJG-OCCSQVGLSA-N 459.447 6.672 50 10 JKGE Cc1cc(Br)c(F)c([C@@H](Br)c2c(C)sc(Br)c2C)c1 2225866803 SPQQTKSFRLXPRL-GFCCVEGCSA-N 471.027 6.822 50 10 JKGE Cc1sc([C@@H](Cl)c2cc(I)cc3c2OCC3)cc1Br 2226082084 KVXYUIUOJOSOQE-ZDUSSCGKSA-N 469.569 5.687 50 10 JKGE CO[C@@H]1CCC[C@@H]([C@H](Br)c2c(Br)cc(C)c(Br)c2C)C1 2235608878 MBKSIDLSGODSIM-HSMVNMDESA-N 469.055 6.470 50 10 JKGE Cc1cc(Br)c([C@@H](Br)[C@@H](CC(C)C)C(C)C)c(C)c1Br 2235613895 CAKOKTLJAHPJBE-GUYCJALGSA-N 469.099 7.583 50 10 JKGE COc1c([C@H](Br)c2cc(Br)ccc2Br)csc1C 2259130257 FSRSAGZXSXAIPP-GFCCVEGCSA-N 455.009 6.074 50 10 JKGE Cc1cc([C@@H](Br)c2ccc(Cl)c(I)c2)c(C)cc1F 2268274092 NSDWRMUZIZOCRM-HNNXBMFYSA-N 453.520 6.185 50 10 JKGE CC(C)(F)[C@@](C)(F)[C@H](Br)c1c(F)cc(Br)c(F)c1Br 2272726037 IVKPJNSFMPITNN-PWSUYJOCSA-N 470.924 6.402 50 10 JKGE COc1c(C)cc(Br)cc1[C@@H](Br)c1cccc(Cl)c1Br 2283192455 XUABHHQDPWRJFB-ZDUSSCGKSA-N 483.425 6.666 50 10 JKGE COc1cc(C=CC(=O)Oc2ccc([N+](=O)[O-])cc2)ccc1OCc1c(Cl)cccc1Cl 2294608347 HURJNWBWNKBBCQ-UHFFFAOYSA-N 474.296 6.108 50 10 JKGE COc1ccc([C@H](Br)Cc2cc(Br)cc(Br)c2)cc1F 2295275097 RBCDPSZWOJMHPU-CYBMUJFWSA-N 466.970 6.038 50 10 JKGE CCc1ccc(NC(=O)C(C#N)=Cc2cn(Cc3ccc(Cl)cc3)nc2-c2ccc(OC)cc2)cc1 2295347902 RFURFCOKKWRGDU-UHFFFAOYSA-N 496.998 6.368 50 10 JKGE COc1ccc([C@H](Br)c2cc(Br)c(Br)s2)c(OC)c1C 2295367688 MXXGSYFCOSEXBV-LBPRGKRZSA-N 485.035 6.083 50 10 JKGE COc1ccc([C@H](Br)c2cc3sc(Br)cc3s2)c(Br)c1 2295496868 CAJLAWWRPLJSBP-AWEZNQCLSA-N 497.071 6.981 50 10 JKGE Cc1ccc(-c2csc(C(C#N)=CNc3ccccc3OC(F)(F)[C@@H](F)Cl)n2)c(C)c1 2295934439 XWWDLKYKGXBJQZ-OAQYLSRUSA-N 463.912 6.910 50 10 JKGE COc1cc(C=C(C#N)c2nc3ccccc3[nH]2)cc(Cl)c1OCc1ccccc1Cl 2296400205 DPVKIRJHWIXGEC-UHFFFAOYSA-N 450.325 6.521 50 10 JKGE N#CC(=Cc1cccc2ccccc12)c1nc(-c2cc3cc([N+](=O)[O-])ccc3oc2=O)cs1 2296751882 JJMVHBVFOIHVIW-UHFFFAOYSA-N 451.463 6.042 50 10 JKGE Cc1ccc(C[C@H]2SC(=C(C#N)C(=O)N3CCCCC3)N(c3ccccc3)C2=O)cc1Cl 2296834472 VLEBRRDSDYAMAF-JOCHJYFZSA-N 466.006 5.087 50 10 JKGE COc1ccc(C=C(C#N)c2nc(-c3cc4c(ccc5ccccc54)oc3=O)cs2)cc1OC 2297213683 BUPCGJLYGYRZTC-UHFFFAOYSA-N 466.518 6.151 50 10 JKGE C[C@@H](Sc1ccccc1)C(=O)NN=Cc1ccc(OCc2ccc(Cl)cc2Cl)cc1 2297708862 XZVZFIJMIHBDLF-MRXNPFEDSA-N 459.398 6.203 50 10 JKGE CC(C)C1([C@H](Br)c2ccc(OCc3ccccc3)cc2Br)CCC1 2299494783 OQBOMOCXXAIYGM-HXUWFJFHSA-N 452.230 7.290 50 10 JKGE CO[C@@H]1C[C@@]2([C@@H](Br)c3ccc(OCc4ccccc4)cc3Br)C[C@@H]12 2299529930 HEOCAWTVDROYIB-RNQOJCNYSA-N 452.186 5.889 50 10 JKGE Cc1cc([C@@H](Br)c2cc(Br)ccc2OCc2ccccc2)sc1Cl 2299534748 HHKLBQQJUZBXLN-SFHVURJKSA-N 486.656 7.536 50 10 JKGE Fc1c(Br)cc(Cl)c([C@@H](Br)c2ccsc2)c1Br 2300179373 RZZBHYNUEZLGFN-VIFPVBQESA-N 463.391 6.550 50 10 JKGE Clc1c(Br)sc(Br)c1[C@H](Br)[C@@H]1CC[C@@H]2C[C@H]1CO2 2312748348 PMLSUYQBQGNNEY-YYWONIAYSA-N 479.459 6.178 50 10 JKGE Cc1c(Br)cccc1[C@H](Cl)c1cc(Br)ccc1OCc1ccccc1 2314448469 IAAWXHWEPVAIMP-NRFANRHFSA-N 480.627 7.427 50 10 JKGE CC1(C)CO[C@@H](C[C@H](Br)c2cc(Br)ccc2OCc2ccccc2)C1 2314451054 BLTZPFYPLQHYLI-HKUYNNGSSA-N 468.229 6.669 50 10 JKGE CC1([C@H](Br)c2cc(Br)ccc2OCc2ccccc2)CCCCCC1 2314502831 MJWKOBWWYKVNBD-OAQYLSRUSA-N 466.257 7.825 50 10 JKGE O=C(c1scc(Br)c1Br)N1CC[C@H]2C[C@H](Br)CC[C@H]21 2328609793 PRCBKNXDZBEIDA-QXFUBDJGSA-N 472.040 5.051 50 10 JKGE CCC(=CC(=O)N[C@H](C(=O)Nc1ccc(SC#N)cc1)c1ccccc1)c1ccc(OC)cc1 2329551741 MQEADCOJIBSXRE-SANMLTNESA-N 471.582 5.558 50 10 JKGE CCc1cccc(CC)c1N1C[C@H](C(O)=C(C#N)c2nc(-c3ccc4ccccc4c3)cs2)CC1=O 2331238787 VTCFTHNJSWLNMV-XMMPIXPASA-N 493.632 6.934 50 10 JKGE CCc1cccc(CC)c1N1C[C@@H](C(O)=C(C#N)c2nc(-c3ccc4c(c3)CCCC4)cs2)CC1=O 2331239877 NJVKZGRQVXAATB-DEOSSOPVSA-N 497.664 6.659 50 10 JKGE COc1ccc(-c2csc(C(C#N)=C(O)[C@H](C)Oc3ccc(Cl)cc3Br)n2)cc1 2331273601 TYNHRTMZWDRMAJ-LBPRGKRZSA-N 491.794 6.495 50 10 JKGE CSCC[C@H](C(O)=C(C#N)c1nc(-c2ccc(F)cc2)cs1)N1C(=O)c2ccccc2C1=O 2331344319 FKDMZNKUDMXLSC-HXUWFJFHSA-N 479.558 5.160 50 10 JKGE CCCOc1ccc(-c2csc(C(C#N)=Cc3cc(Br)c(OCC)c(OC)c3)n2)cc1 2331445364 NEMIPPKHABOZJJ-UHFFFAOYSA-N 499.430 6.833 50 10 JKGE COCc1cccc([C@H](Br)c2ccc(OCc3ccccc3)cc2Br)c1 2336042678 XOMQNHXIALPBNO-QFIPXVFZSA-N 476.208 6.659 50 10 JKGE Brc1ccc(OCc2ccccc2)c([C@@H](Br)[C@@H]2CCCCC23CCC3)c1 2336054500 SHCZYWJQEQRKJL-RBBKRZOGSA-N 478.268 7.825 50 10 JKGE CCCOC1([C@@H](Br)c2c(Cl)cc(Br)c(F)c2Br)CC1 2337099151 UYHIFOGHJIITNB-LBPRGKRZSA-N 479.409 6.399 50 10 JKGE CCN[C@@H](c1c(Cl)cc(Br)c(F)c1Br)[C@H]1C[C@@H](Br)C1 2337103623 KJDRQDFWPXJUIR-DDZXGWPLSA-N 478.425 5.828 50 10 JKGE CC(C)(CCCl)c1nnc(-c2cc(I)ccc2Br)o1 2337177852 YESDUSSQCOKKOL-UHFFFAOYSA-N 455.521 5.010 50 10 JKGE C=CC[C@]1(CBr)CCCN1Cc1ccc(Cl)c(I)c1 2337221591 QRELYSRVVJFVMU-OAHLLOKOSA-N 454.577 5.250 50 10 JKGE CCCN[C@H](c1c(C)cc(Br)c(F)c1Br)[C@@H]1C[C@@H]1Br 2339651757 SERZABNVSVEKQK-ITMYJUKJSA-N 458.007 5.483 50 10 JKGE Brc1cc2c(cc1[C@H](Br)c1csnc1Br)CCCO2 2343584384 OUSBUFIRAOMESF-LBPRGKRZSA-N 468.008 5.477 50 10 JKGE Fc1cccc(OCc2ccc(I)c(Br)c2)c1CCl 2349779066 QYYCNZFCAGQOPL-UHFFFAOYSA-N 455.492 5.511 50 10 JKGE FC1(F)CC[C@@H](Cc2cc(I)ccc2Cl)[C@H](Br)CC1 2352428426 UXJZVXRTDOOMGY-JOYOIKCWSA-N 463.531 6.076 50 10 JKGE Cc1cc([C@@H](Br)c2c(F)cc(Cl)c(Br)c2Cl)ccc1Cl 2360423093 KTUTZMZIUPSFBG-GFCCVEGCSA-N 461.383 7.341 50 10 JKGE COc1c(C)cc([C@@H](Cl)c2cc(Br)ccc2OCc2ccccc2)cc1Cl 2362873929 WTHNZZKPNNIPFI-OAQYLSRUSA-N 466.202 7.327 50 10 JKGE O=C(N[C@H](CCBr)C1CCCC1)c1ccc(Cl)cc1I 2365588561 LAGVSZLSUKGPHO-CQSZACIVSA-N 470.576 5.018 50 10 JKGE CCc1nn(Cc2ccc(I)c(Br)c2)c(CC)c1CCl 2377263065 FVCWXMPVNGDUKC-UHFFFAOYSA-N 467.576 5.162 50 10 JKGE CC[C@H](Cl)c1c(C)nn(Cc2ccc(I)c(Br)c2)c1C 2377263958 PIRRKJILPSYJDF-ZDUSSCGKSA-N 467.576 5.605 50 10 JKGE Clc1ccc(C[C@@H](CBr)Cc2cc(I)ccc2Cl)cc1 2380515067 LRGLWKXFOZIAQA-GFCCVEGCSA-N 484.002 6.394 50 10 JKGE O=C1O[C@H](c2ccccc2)N/C1=C(\c1ccccc1)P(=O)(c1ccccc1)c1ccccc1 3121583 LWPKIIGAPMRTHY-UZOYVPSHSA-N 451.462 5.215 50 10 JKGE CCOc1cc(/C=C(\C#N)c2nc3ccc(C)cc3[nH]2)c(Br)c(Br)c1O 5920848 JYONZFTWHSFCJU-KPKJPENVSA-N 477.156 5.565 50 10 JKGE CCOC(=O)c1c(N/N=C2/C(=O)N(c3ccccc3)N=C2C)sc(SC#N)c1-c1ccccc1 12562287 PASKBSFXJODBET-LHLOQNFPSA-N 489.582 5.356 50 10 JKGE CCCCCC1CCC(c2ccc(C(=O)NNC(=O)c3ccc(OCCCC)cc3)cc2)CC1 27439462 XKBVAWFZPKJBDX-UHFFFAOYSA-N 464.650 6.794 50 10 JKGE N#C/C(=C/c1ccc(-c2ccc([N+](=O)[O-])cc2)o1)C(=O)Nc1ccc([N+](=O)[O-])cc1Br 32267243 OIOXUTHCIKJSDZ-LCYFTJDESA-N 483.234 5.071 50 10 JKGE CCCCN1C(=O)C(C#N)=C(C)/C(=C\c2ccc(OCc3ccc(Cl)cc3)c(OC)c2)C1=O 38603722 QTIPAYBAJGFLCF-FYJGNVAPSA-N 464.949 5.320 50 10 JKGE CCOc1ccc(-c2nn(-c3ccccc3)cc2/C=C2/C(=O)N(CC(C)C)C(=O)C(C#N)=C2C)cc1C 38605546 ATHULIWZYRCZMF-MFKUBSTISA-N 494.595 5.495 50 10 JKGE COc1ccccc1[C@H]1C(C#N)=C(N)Oc2cc(OC(=O)c3ccc(OCC(C)C)cc3)ccc21 38650041 GJVDKYQZSYFVOT-AREMUKBSSA-N 470.525 5.167 50 10 JKGE CCCCOc1ccccc1[C@H]1C(C#N)=C(N)Oc2cc(OC(=O)c3ccccc3OC)ccc21 38682660 OKBODKXBARHELR-AREMUKBSSA-N 470.525 5.311 50 10 JKGE Cc1cccn2c(=O)c(/C=C(/C#N)C(=O)Nc3cccc(Cl)c3)c(Oc3ccccc3Cl)nc12 39858678 ZCEREIDAXYBPAC-VBKFSLOCSA-N 491.334 5.648 50 10 JKGE Nc1c(NNC(=O)C(c2ccccc2)c2ccccc2)ncnc1Nc1ccccc1C(F)(F)F 40701836 RAAIBALGYMLHOO-UHFFFAOYSA-N 478.478 5.096 50 10 JKGE O=C(CSc1nc(-c2ccc(Cl)cc2)cs1)N/N=C/c1ccc(Br)cc1 40924672 RCRHDQVFRJGTNA-ZVBGSRNCSA-N 466.813 5.468 50 10 JKGE CCCCCCOc1ccc(/C=N/NC(=O)COc2ccc(CCC)cc2Br)cc1 40960164 AGVYAVWVVXGHAA-YZSQISJMSA-N 475.427 5.890 50 10 JKGE CCOc1cc(/C=N\NC(=O)CC[C@@H](O)c2ccccc2)cc(Cl)c1OCc1ccc(C)cc1 58891403 BEOQQGYAGRKSMP-WRIMGEDOSA-N 480.992 5.590 50 10 JKGE CCOc1ccc([C@H](O)CCC(=O)N/N=C\c2cc(C)n(-c3cc(Cl)ccc3C)c2C)cc1 58894409 XYLRPZYCRNVOHT-NNVPUZBJSA-N 467.997 5.419 50 10 JKGE CC(C)Cc1ccc([C@@H](C)C(=O)N/N=C2\C(=O)N(Cc3ccccc3Cl)c3ccccc32)cc1 59146541 NXZFUWZVFRFDGF-RTFUVNSJSA-N 474.004 5.709 50 10 JKGE COc1cc(/C=C(/C#N)C(=O)Nc2ccc(C)cc2)cc(Cl)c1OCc1cccc2ccccc12 59335363 LJXUTTJHMCPBDV-UCQKPKSFSA-N 482.967 6.935 50 10 JKGE CC(C)c1ccc(NC(=O)C(=O)N/N=C/c2ccc(OCc3ccc(Br)cc3)cc2)cc1 59472227 QOEHHYOLGMNJMH-JFLMPSFJSA-N 494.389 5.240 50 10 JKGE Cc1cc(C(=O)O)ccc1-n1c(C)cc(/C=N/NC(=O)c2cc3cc(Br)ccc3o2)c1C 59679850 JBXPJHZIHWDOJD-RPPGKUMJSA-N 494.345 5.373 50 10 JKGE Fc1cc(Br)c(Cl)cc1[C@H](Cl)c1cc(Br)ccc1Br 97895048 NDOVHYVNAXFOCQ-CYBMUJFWSA-N 491.807 7.095 50 10 JKGE CCCCCCCOc1ccc(/C=C(/C#N)C(=O)Nc2ncc(Cc3ccc(F)cc3)s2)cc1 102958344 YZGUNJXSOKVMID-JWGURIENSA-N 477.605 6.768 50 10 JKGE Fc1ccc(Br)cc1C[C@@H](CBr)c1ccccc1Br 118665159 MAXYBNFHCFGKEO-NSHDSACASA-N 450.971 6.072 50 10 JKGE Cc1cc(Br)cc([C@H](Cl)c2cc(Br)sc2Br)c1 131960915 JESIFCKJUZKWKX-NSHDSACASA-N 459.428 6.672 50 10 JKGE Clc1ccc(CO[C@H](CI)c2cccc(Br)c2)cc1 162446787 JVKFYXAAOWGKMU-OAHLLOKOSA-N 451.529 5.795 50 10 JKGE CC[C@H](C)N1C(=O)C(C#N)=C(C)/C(=C/c2cn(-c3ccccc3)nc2-c2ccc(C)cc2)C1=O 214255594 YKDWGSPCCGZFFI-OQLNFPPLSA-N 450.542 5.239 50 10 JKGE Brc1cc([C@H](Br)[C@@H]2CC[C@H]3CCCC[C@@H]3C2)sc1Br 250749973 OAKXXJMZZRXGFP-ZHSDAYTOSA-N 471.096 7.316 50 10 JKGE CCC(=NNC(=O)c1cc(-c2ccc(OC)cc2OC)nc2ccccc12)C12CC3CC(CC(C3)C1)C2 252600771 DUQQZMHFQRAOQT-UHFFFAOYSA-N 497.639 6.631 50 10 JKGE COc1cccc(C(C)=NNC(=O)CSc2nc3ccccc3n2Cc2ccc(C)cc2)c1 252629794 UNXLZWPMMDQUAD-UHFFFAOYSA-N 458.587 5.034 50 10 JKGE CC(=NNC(=O)CCCCC(=O)NN=C(C)c1cccc2ccccc12)c1cccc2ccccc12 252631994 VNVHROSSBQGWAR-UHFFFAOYSA-N 478.596 5.934 50 10 JKGE O=C(NN=Cc1cn(Cc2ccccc2)c2ccccc12)C(O)(c1ccccc1)c1ccccc1 252640594 YVFRCICITPDZOK-UHFFFAOYSA-N 459.549 5.076 50 10 JKGE Cc1ccccc1C(=O)NN=Cc1cn(-c2ccccc2)nc1-c1ccc(OCc2ccccc2)cc1 254394227 IQNMLMLHYROVAG-UHFFFAOYSA-N 486.575 6.191 50 10 JKGE Cc1cccc(C(=O)Oc2ccc3ccccc3c2C=NNC(=O)c2cccc([N+](=O)[O-])c2)c1 254671496 VKNJKCYDXNPRLB-UHFFFAOYSA-N 453.454 5.040 50 10 JKGE CCOc1cc(C=NNC(=O)Cc2cccc3ccccc23)ccc1OC(=O)c1ccccc1 254808113 CEISRTFSQAHJNG-UHFFFAOYSA-N 452.510 5.151 50 10 JKGE Fc1cc(Br)c([C@@H](Br)c2cccc(Br)c2)c(F)c1F 398795385 RHSVFZSHVMVSPL-NSHDSACASA-N 458.897 6.113 50 10 JKGE CC(C)(C)OC(=O)Nc1ccc([C@H]2COCCCN2CCO[Si](C)(C)C(C)(C)C)cc1 616599785 PLHXVCWTKPUEDI-OAQYLSRUSA-N 450.696 5.819 50 10 JKGE CC(C)(C)OC(=O)N1c2ccccc2CC[C@H]1c1cccc(CO[Si](C)(C)C(C)(C)C)c1 616666580 MFBSMYNGHNKVMC-DEOSSOPVSA-N 453.699 7.637 50 10 JKGE BrCc1cc(Br)ccc1N1C[C@H]2CC[C@H]1[C@@H]1CN(Cc3ccccc3)C[C@H]21 705885830 IGULYZKCVZVUMA-TUUKDFBESA-N 490.283 5.691 50 10 JKGE C[C@H]1CCCN(C(=O)c2scc(Br)c2Br)[C@@H]1CCBr 707837770 GHZUXWLJRRWJPC-WCBMZHEXSA-N 474.056 5.299 50 10 JKGE Brc1cc([C@H](Br)c2ccc(C3CC3)s2)ccc1I 708006053 YZROWBDDHQEEGL-AWEZNQCLSA-N 498.021 6.477 50 10 JKGE C[C@H](Cl)c1nc2cc(I)c(F)cc2n1CC1CN(Cc2ccccc2)C1 716244169 NGDUBRQHAOWWHY-ZDUSSCGKSA-N 483.756 5.212 50 10 JKGE Clc1cccc(C(CBr)(CBr)Cc2sncc2Br)c1 719879482 PVENLGIJLMFKGB-UHFFFAOYSA-N 488.470 5.829 50 10 JKGE O=C(NN=Cc1cc(Cl)ccc1OCc1ccc(F)cc1)c1ccccc1Br 1084113227 RJBRFHPXLCNXQB-UHFFFAOYSA-N 461.718 5.585 50 10 JKGE Cc1ccc(NC(=O)/C(C#N)=C/c2cc(C)n(-c3cccc(I)c3)c2C)cc1 1084335137 IEAPLASRNDDHCF-XDHOZWIPSA-N 481.337 5.553 50 10 JKGE O=C(NN=Cc1ccccc1Oc1ccc(C(F)(F)F)cc1[N+](=O)[O-])c1cc(F)c(F)cc1Cl 1084453001 KPTFMBCMIBAMBQ-UHFFFAOYSA-N 499.779 6.101 50 10 JKGE CCCCc1ccc(NC(=O)c2oc3c(c2C)C(=NNC(=O)c2ccc(F)cc2)CCC3)cc1 1772744935 NDTHPQTYCZHPFV-UHFFFAOYSA-N 461.537 5.792 50 10 JKGE CCOC(=O)NN=C1CCCc2oc(C(=O)Nc3cc(C(F)(F)F)ccc3Cl)c(C)c21 1772750959 DQOVRUAEMCBPFU-UHFFFAOYSA-N 457.836 5.299 50 10 JKGE O=C(N/N=C\c1ccc(F)c(Br)c1)c1ccc(-c2ccc3ccccc3c2)s1 1860774181 PXLRSVAAVLMIPY-MXAYSNPKSA-N 453.336 6.234 50 10 JKGE N#CC1=C(N)Oc2c(c(-c3ccccc3)nn2-c2cccc3ccccc23)[C@H]1c1ccc(O)cc1 1865683609 GCZCYFWBBZBINH-VWLOTQADSA-N 456.505 5.616 50 10 JKGE COc1ccc(-c2nn(-c3ccccc3)c3c2[C@H](c2cccc(Cl)c2)C(C#N)=C(N)O3)cc1 1865683984 SDFAGXNHVMVAGC-JOCHJYFZSA-N 454.917 5.419 50 10 JKGE CCCCOc1ccc([C@@H]2C(C#N)=C(N)Oc3c2c(CCC)nn3Cc2cccc(F)c2)cc1 1865693459 VVNGNOVLMJDPCA-XMMPIXPASA-N 460.553 5.420 50 10 JKGE CCCc1nn(CC(C)C)c2c1[C@@H](c1ccccc1OCc1ccc(Cl)cc1)C(C#N)=C(N)O2 1865701498 WYCPFIDMMXCONA-DEOSSOPVSA-N 477.008 5.942 50 10 JKGE CCc1nn(Cc2cc(C)ccc2C)c2c1[C@H](c1cccc(OCc3ccccc3)c1)C(C#N)=C(N)O2 1865712340 WBBGMDUYDHIWFX-MUUNZHRXSA-N 490.607 5.908 50 10 JKGE COc1cc(/C=C(\C#N)S(=O)(=O)c2ccc(Cl)cc2)ccc1OCC(=O)Nc1ccc(C)cc1 1872727265 KVKINRWMEDAXNN-LPYMAVHISA-N 496.972 5.013 50 10 JKGE COc1cccc(-c2csc(/C(C#N)=C(\O)CCCOc3ccc(Cl)cc3Cl)n2)c1 1872744603 ZPWSSEVBMUMCKA-JZJYNLBNSA-N 461.370 6.777 50 10 JKGE CCc1cccc(C)c1N1C[C@@H](/C(O)=C(\C#N)c2nc(-c3ccccc3Cl)cs2)CC1=O 1872746276 AKZQGSSUAOUOHF-AOVJEQHFSA-N 463.990 6.180 50 10 JKGE Cc1ccc(C)c(N2C(=O)c3ccc(/C(O)=C(\C#N)c4nc(-c5ccccc5)cs4)cc3C2=O)c1 1872748004 COVODNQZAMRXLB-LVWGJNHUSA-N 477.545 6.177 50 10 JKGE Cc1cc(C)c(C)c(-c2csc(/C(C#N)=C(\O)[C@H](C)Oc3ccc(Cl)cc3Cl)n2)c1C 1872754208 IJDAOPVEZKEENN-CYMZXICGSA-N 473.425 7.611 50 10 JKGE CCOc1ccc(OCC)c(-c2csc(/C(C#N)=C(\O)c3ccc(-c4ccccc4)cc3)n2)c1 1872754891 NQBZEYDZIUHJSE-PNHLSOANSA-N 468.578 7.224 50 10 JKGE CCOc1ccc(OCC)c(-c2csc(/C(C#N)=C(\O)CCCOc3c(C)cccc3C)n2)c1 1872755062 WNCMFEJMIPYDEL-GYHWCHFESA-N 478.614 6.876 50 10 JKGE COc1c(Cl)cc(-c2csc(/C(C#N)=C(O)/C=C/c3ccc(Cl)cc3Cl)n2)cc1Cl 1872755777 FKCFHIKNLMRACB-VQXGKATLSA-N 498.218 7.938 50 10 JKGE COc1cc(C)c(-c2csc(/C(C#N)=C(\O)c3cc([N+](=O)[O-])cc([N+](=O)[O-])c3C)n2)cc1C 1872757952 DQINPPIPRFKJNA-FXBPSFAMSA-N 466.475 5.510 50 10 JKGE CCOc1ccc(-c2csc(/C(C#N)=C/c3cc(OC)c(OC)c(OC)c3)n2)c(OCC)c1 1872793664 MEWLQUQRUKQKBH-LICLKQGHSA-N 466.559 5.697 50 10 JKGE CCOc1ccc(/C=C(\C#N)c2nc(-c3cc(Cl)c(OC)c(Cl)c3)cs2)cc1OC 1872794655 OHAZNVYMZPZUSK-VIZOYTHASA-N 461.370 6.597 50 10 JKGE CCCOc1c(/C=C(\C#N)c2nc(-c3ccc(OC)c(OC)c3OC)cs2)cccc1OC 1872794865 AQSRWSNOTLQNIG-GHRIWEEISA-N 466.559 5.697 50 10 JKGE C[C@H]1CC[C@H](COc2c(Br)cc(CBr)cc2Br)CC1 1878255191 RLIIFIOIUXEWAR-XYPYZODXSA-N 455.028 6.312 50 10 JKGE CC(C)(C)OC(=O)N1CC(N(Cc2ccccc2)C[C@](C)(CBr)C(C)(C)C)C1 1893547078 QYLZYAJYOZXLIA-QHCPKHFHSA-N 453.465 5.555 50 10 JKGE FC(F)C[C@@H](Br)c1c(Br)sc(Br)c1Br 1897205580 NQIUMRNLEFHWMJ-UWTATZPHSA-N 477.788 6.127 50 10 JKGE C[C@H](Br)CN(Cc1ccccc1)C(=O)c1c(Br)cccc1Br 1914668749 WAVFNRXPSZYMLP-LBPRGKRZSA-N 490.033 5.637 50 10 JKGE CC(C)[C@H](CBr)N(Cc1ccccc1)S(=O)(=O)c1ccccc1C(F)(F)F 1915302392 YEJQFHNJWGOTBN-KRWDZBQOSA-N 464.347 5.316 50 10 JKGE Cc1c(Br)sc([C@H](Cl)c2csc(C(F)(F)F)c2)c1Br 1922895520 WSTQODFHDOBQFP-MRVPVSSYSA-N 454.558 6.990 50 10 JKGE CC(C)(C(F)F)[C@H](Br)c1c(Br)sc(Br)c1Cl 1923037027 AMXPHWLKCGPVGQ-RXMQYKEDSA-N 461.391 6.654 50 10 JKGE Clc1c(Br)sc(Br)c1[C@@H](Br)[C@H]1CCc2ccccc2C1 1923071457 IYAGVYAWCFCOGD-JQWIXIFHSA-N 499.493 7.168 50 10 JKGE C[C@H](c1ccncc1Br)[C@@H](Br)c1sccc1I 1924022230 OBFYJPTZNYUDAS-RDDDGLTNSA-N 486.998 5.750 50 10 JKGE Clc1ccc(Br)c([C@H](Br)Cc2ncccc2Br)c1 1924861621 QHAXGNNTEVZUDB-GFCCVEGCSA-N 454.387 5.939 50 10 JKGE FC(F)C1CC(C[C@@H](Br)c2cc(I)cc3c2OCC3)C1 1926999927 MCDLCKDFMUJPBE-QDPIBXHXSA-N 457.096 5.344 50 10 JKGE Clc1ccccc1[C@H](Br)Cc1c(Br)cccc1Br 2050572574 XUEDAYXDYGFLII-CYBMUJFWSA-N 453.399 6.544 50 10 JKGE Cc1cc(Br)c(CBr)c(N2C[C@H]3CCN(Cc4ccccc4)[C@H]3C2)c1 2068562524 OCNDHPOXZCYGGT-UTKZUKDTSA-N 464.245 5.363 50 10 JKGE CC(C)(C)OC(=O)N1CC[C@@]2(CC[C@@](C)(CI)O2)CC12CCCCC2 2074144077 GTCLLAVNKSKDNB-ICSRJNTNSA-N 463.400 5.463 50 10 JKGE CC1(C)C[C@H](Br)CCN(Cc2cccc(Br)c2Br)C1 2092340692 SVPGFWBGQXBRMX-GFCCVEGCSA-N 454.044 5.597 50 10 JKGE CC1(C)C[C@H](Br)C[C@H](NC(=O)c2csc(Br)c2Br)C1 2093944266 HJSVJDLCTGKWHE-SFYZADRCSA-N 474.056 5.345 50 10 JKGE Cc1cc(Br)c([C@H](Br)[C@H]2CCC[C@H](C)CC2)cc1Br 2100835741 LVYGROQATMHJLD-KNHMANMVSA-N 453.056 7.172 50 10 JKGE Clc1cccc([C@@H](Br)CCc2c(Br)cccc2Br)c1 2113491491 PFBBQSWVXRZVIP-ZDUSSCGKSA-N 467.426 6.934 50 10 JKGE Cc1c(Br)sc([C@H](Br)[C@H]2CCCCC23CCC3)c1Br 2117007111 JQPGJSNPKBRMDS-ZYHUDNBSSA-N 471.096 7.378 50 10 JKGE Cc1cc(Cl)c([C@H](Br)c2cccc(C)c2I)cc1Cl 2136693023 NBTRRXIQIMUZLR-CQSZACIVSA-N 469.975 6.699 50 10 JKGE COc1cc(F)c([C@H](Br)c2c(C)nsc2Br)cc1Br 2138147449 AZMJGCSNEYGQMJ-NSHDSACASA-N 473.987 5.609 50 10 JKGE Cc1cc(F)c(F)cc1[C@H](Br)c1c(Br)cccc1Br 2139629624 MBNGVOWFBMAWRD-AWEZNQCLSA-N 454.934 6.283 50 10 JKGE CCOc1ccc([C@H](Cl)c2cccc(Br)c2Br)c(Br)c1 2148751867 RPMNLRYKPKHYGV-HNNXBMFYSA-N 483.425 6.701 50 10 JKGE CC1(C)CCC[C@@]1(CBr)NC(=O)c1c(Br)cccc1Br 2150554790 GYSUCVZRKXENLO-HNNXBMFYSA-N 468.027 5.285 50 10 JKGE Fc1cc(Br)cc(N2CC[C@H]3CCN(Cc4ccccc4)C[C@@H]3C2)c1CBr 2170690377 CSRLGPMULXFGQY-QZTJIDSGSA-N 496.262 5.832 50 10 JKGE Clc1ccc(I)c(CN2C[C@H](Br)C3(CCCCC3)C2)c1 2174365193 RPSMUZFSPICASD-HNNXBMFYSA-N 468.604 5.474 50 10 JKGE C[C@@H]1C[C@@H](C(F)(F)F)N(C[C@@H](CBr)C2CCC2)CCN1C(=O)OC(C)(C)C 2178264757 TUODHEUQMPJTFN-BMFZPTHFSA-N 457.375 5.060 50 10 JKGE O=C(NC12CCC(CBr)(CC1)C2)c1cccc(Br)c1Br 2189321357 NGCSLIWMLPTWJA-UHFFFAOYSA-N 466.011 5.039 50 10 JKGE CCCC(CBr)(CCC)CN=[S@](C)(=O)CC1(C)CN(C(=O)OC(C)(C)C)C1 2192789771 XMCQIEIFCQNUAH-HHHXNRCGSA-N 467.514 5.323 50 10 JKGE Cc1cc(Br)c(C)c([C@@H](Cl)c2cc(F)ccc2Br)c1Br 2201078673 OEYVJHBATKFMTR-HNNXBMFYSA-N 485.416 7.058 50 10 JKGE COc1cc(Cl)c([C@H](Cl)c2cc(Cl)ccc2Br)cc1Br 2202348316 YYUQOWNMLHRNBO-CQSZACIVSA-N 459.392 6.855 50 10 JKGE Cc1cc(Br)c(C)c([C@@H](Br)[C@]23CO[C@](CF)(C2)C3)c1Br 2202651209 KONIKKFQTBBDIQ-RBSFLKMASA-N 471.002 5.783 50 10 JKGE Cc1cc(C)c(C)c([C@H](Br)c2cc(Br)c(C)cc2Br)c1 2203054996 JGPDCPAIIHSJSN-KRWDZBQOSA-N 461.035 6.930 50 10 JKGE COc1ccc([C@H](Cl)c2ccc(I)c(Cl)c2)c(Cl)c1Cl 2203447804 MXAWVVGCFXPMCP-GFCCVEGCSA-N 461.941 6.588 50 10 JKGE Cc1ccc(F)c([C@@H](Br)c2ccc(Br)c(C)c2Br)c1F 2203686271 ONNSRTROLJQWKQ-AWEZNQCLSA-N 468.961 6.591 50 10 JKGE Cc1cc(C)c([C@H](Br)c2ccc(Br)c(C)c2Br)c(C)c1 2203687123 PBYROXHGOVUBGV-QGZVFWFLSA-N 461.035 6.930 50 10 JKGE Clc1cc(CN2CC[C@@H]3CC[C@H](Br)C[C@H]3C2)ccc1I 2208044826 OELLNMZYNYSLFZ-IHRRRGAJSA-N 468.604 5.330 50 10 JKGE Cc1cc(Br)c([C@H](Br)c2csc(Cl)c2)c(C)c1Br 2220153266 IJIOOLKCWQWIOJ-CYBMUJFWSA-N 473.455 7.028 50 10 JKGE CCN(C[C@](C)(CBr)OCc1ccc(Cl)cc1Cl)C(=O)OC(C)(C)C 2223367936 YTSCREXPGMYITB-SFHVURJKSA-N 455.220 5.921 50 10 JKGE O=[N+]([O-])c1ccc([C@@H](Br)c2cc(Br)c(Br)cc2F)o1 2225618401 WYMSIINSFBZFEB-NSHDSACASA-N 457.875 5.336 50 10 JKGE Cc1ccc(I)c([C@@H](Br)c2cc(Cl)c(F)cc2Cl)c1 2232221583 BPZCKKAKPGBQLH-AWEZNQCLSA-N 473.938 6.530 50 10 JKGE C[C@@H]1O[C@H](C)[C@H]([C@H](Br)c2c(Br)cc(Cl)c(Cl)c2Cl)[C@@H]1C 2232508736 AQEOOUTZOYTKQG-BMDWXNKYSA-N 465.440 6.905 50 10 JKGE C[C@]1(C(F)(F)F)C[C@H]1[C@H](Br)c1c(Br)cc(Cl)c(Cl)c1Cl 2232509457 CXKRQFHLKKTMGQ-FCBCCEKLSA-N 475.357 7.434 50 10 JKGE Cc1cccc([C@@H](Br)c2c(Br)cc(Cl)c(Cl)c2Cl)c1C 2232515190 XSANYIQZBJOEDU-CYBMUJFWSA-N 457.420 7.510 50 10 JKGE COc1cc(Br)c([C@H](Cl)c2cc(Br)ccc2Br)cc1C 2236016809 ZTDCVXNRVHHMHU-HNNXBMFYSA-N 483.425 6.619 50 10 JKGE Clc1ccc([C@H](Cl)Cc2ccc(Br)cc2Cl)cc1I 2268316095 LZVVVCRPZDCDLD-GFCCVEGCSA-N 490.393 6.883 50 10 JKGE C[C@@H]1CCC[C@]12[C@@H](Br)C[C@H]2Oc1cc(I)ccc1Cl 2272639814 VFYMWBSBKYBTAH-KYQLBWAOSA-N 455.561 5.666 50 10 JKGE Brc1cc(Br)cc(C[C@H](Br)C2CC3(CCOC3)C2)c1 2277963037 OYAGJXZVVPTCPA-WPBUFGDCSA-N 453.012 5.334 50 10 JKGE Fc1cc([C@H](Br)c2ccc(F)c(Br)c2F)c(F)cc1Br 2282135691 IWQAISWGODYZQI-LLVKDONJSA-N 476.887 6.252 50 10 JKGE CCOc1cc(C=C(C#N)C(=O)Nc2cccc(OC)c2)cc(Br)c1OC(C)C 2294147007 UERVBLWSCKDEKC-UHFFFAOYSA-N 459.340 5.189 50 10 JKGE CCOc1cc(C=C(C#N)C(=O)Nc2ccccc2F)ccc1OCc1cccc([N+](=O)[O-])c1 2294187449 QKYPJOAZYFFFSM-UHFFFAOYSA-N 461.449 5.257 50 10 JKGE Cc1ccccc1NC(=O)C(C#N)=Cc1ccccc1OCCOc1ccc(C2CCCCC2)cc1 2295172557 AIBQWMJWSFDCSX-UHFFFAOYSA-N 480.608 7.046 50 10 JKGE CCCc1cc(C(=O)OC)c(NC(=O)C(C#N)=Cc2ccc(COc3ccc(OC)cc3)o2)s1 2295685293 LVGPUGYQCUBQQG-UHFFFAOYSA-N 480.542 5.213 50 10 JKGE COc1cc2c(cc1NC=C(C#N)c1nc(-c3ccc(OC)c(OC)c3)cs1)oc1ccccc12 2295956256 OODGDBNXHRFYGC-UHFFFAOYSA-N 483.549 6.712 50 10 JKGE CCOc1ccc(NC(=O)C(C#N)=Cc2ccc(OCC(=O)Nc3cccc(Cl)c3)cc2)cc1 2297533969 QTYNVLZHMDSOTK-UHFFFAOYSA-N 475.932 5.302 50 10 JKGE FC(F)(F)CC1([C@@H](Br)c2sc(Cl)cc2I)CC1 2301081924 UPNJBAZJIYSTIZ-QMMMGPOBSA-N 459.496 6.175 50 10 JKGE FC1(F)[C@H]2C[C@H]([C@H](Br)c3cc(Br)sc3Br)CC[C@H]21 2309101328 VSXQBQLTMUZVDH-RWDUTDNCSA-N 464.995 6.391 50 10 JKGE COc1cc(C=C(C#N)C(=O)Nc2cc(Cl)ccc2Cl)ccc1OCc1cccc(Cl)c1 2313631087 KIFFFIOXPAIQFP-UHFFFAOYSA-N 487.770 6.780 50 10 JKGE CCOc1cc(C=C(C#N)C(=O)Nc2cccc(Cl)c2)ccc1OCc1ccccc1Cl 2313631466 QNYZGBWNECQQFT-UHFFFAOYSA-N 467.352 6.517 50 10 JKGE Cl[C@@H](Cc1cccc(Br)c1)c1ccc(OCc2ccccc2)cc1Br 2314453203 UKYWWHUQGZDFCF-NRFANRHFSA-N 480.627 7.313 50 10 JKGE CCCSc1ccc(-c2nn(-c3ccccc3)cc2C=C(C#N)C(=O)N2CCCCC2)cc1 2314478209 JRYKOJAGCWVJBX-UHFFFAOYSA-N 456.615 5.961 50 10 JKGE Cc1cc([C@H](Br)c2c(Cl)sc(Cl)c2C)ccc1I 2314507679 TZKSWOFVCXCRJL-NSHDSACASA-N 476.004 6.761 50 10 JKGE Cc1ccoc1[C@H](Br)c1c(Cl)cc(Br)c(F)c1Br 2315449676 SFDMCDBKGBZAPB-SNVBAGLBSA-N 461.350 6.390 50 10 JKGE Brc1sncc1[C@@H](Br)c1ccc2c(c1Br)CCO2 2315641176 HSDIYONFDFKJQO-NSHDSACASA-N 453.981 5.087 50 10 JKGE Clc1cc(I)c([C@@H](Br)C(C2CCC2)C2CCC2)s1 2316772418 WIRWYZMCMYVBDF-ZDUSSCGKSA-N 459.618 6.659 50 10 JKGE CC(C)c1ccc(-c2csc3ncn(CC(=O)C(C#N)=C4Nc5ccccc5S4)c(=O)c23)cc1 2320482177 BGSTWSOGZVLVSX-UHFFFAOYSA-N 484.606 5.770 50 10 JKGE Cc1cc(I)c(OC[C@]2(CBr)CC2(F)F)cc1Cl 2326818451 WBLZEZQIYPVHHC-LLVKDONJSA-N 451.476 5.052 50 10 JKGE CC(C)(C)[C@@](C)(CBr)COc1cc(Br)cc(I)c1 2327106157 KOMXGHHNTZOTEB-AWEZNQCLSA-N 490.017 5.880 50 10 JKGE N#CC(=C(O)C(=Cc1ccccc1)c1ccccc1)c1nc(-c2ccc(Br)cc2)cs1 2331260566 OMEWHRJYFRLNJM-UHFFFAOYSA-N 485.406 7.606 50 10 JKGE CCc1cccc(C)c1N1C[C@H](C(O)=C(C#N)c2nc(-c3ccccc3Cl)cs2)CC1=O 2331266717 AKZQGSSUAOUOHF-QGZVFWFLSA-N 463.990 6.180 50 10 JKGE C[C@H](c1ccccc1)N1C[C@H](C(O)=C(C#N)c2nc(-c3cccc(Br)c3)cs2)CC1=O 2331278833 LKRSHEORUYBXJV-CRAIPNDOSA-N 494.414 5.975 50 10 JKGE CC(C)[C@@H](C(O)=C(C#N)c1nc(-c2ccc(F)cc2F)cs1)N1C(=O)c2ccccc2C1=O 2331286568 LBFLBAYPVWNDKA-FQEVSTJZSA-N 465.481 5.202 50 10 JKGE COc1ccc(CC(O)=C(C#N)c2nc(-c3cc(C(C)(C)C)ccc3OC)cs2)c(OC)c1 2331349279 HCTJMXYTIXBUCD-UHFFFAOYSA-N 464.587 6.169 50 10 JKGE N#CC(=Cc1c(OCc2ccccc2)ccc2ccccc12)c1nc(-c2cccc(Cl)c2)cs1 2331440163 JRAOYTIOVGHMRI-UHFFFAOYSA-N 479.004 8.260 50 10 JKGE CCCOc1ccc(-c2csc(C(C#N)=Cc3ccc(OC(=O)c4ccccc4)c(OC)c3)n2)cc1 2331445435 WBVAHJLYTRNYJZ-UHFFFAOYSA-N 496.588 6.891 50 10 JKGE Fc1cccc(F)c1C[C@@H](Br)c1ccc(OCc2ccccc2)cc1Br 2336051429 RQKIIHFIIYXQIY-LJQANCHMSA-N 482.162 6.985 50 10 JKGE COc1cccc(C[C@H](Br)c2ccc(Cl)cc2I)c1 2340056811 GNGFTUQMUNWCAQ-AWEZNQCLSA-N 451.529 5.632 50 10 JKGE Brc1cc2c(cc1[C@H](Br)c1ccoc1Br)CCCO2 2343597346 VQBSCPBGUWOJHC-CYBMUJFWSA-N 450.952 5.614 50 10 JKGE Brc1cc(C[C@@H]2Cc3ccccc3[C@H]2Br)ccc1I 2349807149 MHOLHNCGYPAYNC-WBMJQRKESA-N 491.992 5.905 50 10 JKGE CC1(C)C[C@H](CBr)CN(Cc2cc(I)ccc2Cl)C1 2352414733 XXDXCZUUUXUXSI-LLVKDONJSA-N 456.593 5.188 50 10 JKGE CC(C)(C)OC(=O)N1CCC(CC2CCN(C[C@@H](Br)C(F)(F)F)CC2)CC1 2361103969 GQTVRZSFKBTVBC-MRXNPFEDSA-N 457.375 5.061 50 10 JKGE O=S1(=O)C[C@@H]2CCC[C@]2([C@H](Cl)c2ccc(OCc3ccccc3)cc2Br)C1 2361176142 RZHJQMPRBNHKQC-DQLDELGASA-N 469.828 5.523 50 10 JKGE Fc1c(Br)cc(Cl)c([C@@H](Br)C2CCCCCCC2)c1Br 2362231017 UMENWMWKHHEFAQ-ZDUSSCGKSA-N 491.464 7.801 50 10 JKGE C[C@@H]1CCC[C@H]([C@@H](Br)c2c(Cl)cc(Br)c(F)c2Br)CC1 2362238583 WCFXPDZFOJMGBB-VYUIOLGVSA-N 491.464 7.657 50 10 JKGE C[C@H](C[C@@H](Br)c1c(Cl)cc(Br)c(F)c1Br)CC(C)(C)C 2362254122 LEEXXRNFDXKVIB-RKDXNWHRSA-N 493.480 7.903 50 10 JKGE Cc1cc(Br)c(F)c(Br)c1[C@@H](Br)c1cccc(Cl)c1C 2365184832 GIOGXGHLCMLJKD-ZDUSSCGKSA-N 485.416 7.105 50 10 JKGE COc1c(Br)cc(C)c([C@H](Br)[C@H]2CCCC23CC3)c1Br 2365188520 MBLTZVRNBSUWRI-ZWNOBZJWSA-N 467.039 6.545 50 10 JKGE CCCN[C@@H](c1c(C)cc(Br)c(OC)c1Br)[C@@H]1C[C@H]1Br 2365219030 OLJVZKKQZFQBPO-GPCCPHFNSA-N 470.043 5.353 50 10 JKGE FC(F)(F)[C@@H]1[C@@H](Br)CCCN1Cc1ccc(I)c(Cl)c1 2370297202 MMMRXMUBOWDGEW-CABZTGNLSA-N 482.509 5.235 50 10 JKGE CCCN(C[C@]1(CBr)CC1(F)F)C1C[C@@H]2CC[C@H](C1)N2C(=O)OC(C)(C)C 2379981838 PNETYFBYFOWKFE-QDXKRRSBSA-N 451.396 5.049 50 10 JKGE Clc1ccc(I)cc1CN1CCC2(CC[C@H](Br)C2)CC1 2380530810 HMCLJEPSLQCZSY-ZDUSSCGKSA-N 468.604 5.474 50 10 JKGE CC(C)C[C@H](CBr)CN1CC[C@@H](C(F)(F)F)C[C@H]1CNC(=O)OC(C)(C)C 2382177326 ISFMOHDBXIERPU-OAGGEKHMSA-N 459.391 5.211 50 10 JKGE O=C(CSCc1cccc(Cl)c1)N/N=C/c1ccccc1OCc1ccccc1Cl 3658262 ZJKNZCPQOZNQGK-LGJNPRDNSA-N 459.398 5.956 50 10 JKGE CC(C)CCOc1ccc(Br)cc1C(=O)NNC(=O)c1ccc(-c2ccccc2)cc1 14650667 LSMDMZKRBZCJLZ-UHFFFAOYSA-N 481.390 5.616 50 10 JKGE N#C/C(=C/C=C\c1ccccc1)c1nc(-c2cc3cc(Br)ccc3oc2=O)cs1 33394062 MDHBKRRAUPLKQD-HASPRUBHSA-N 461.340 6.299 50 10 JKGE CCCOc1ccc(C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@H]3c2ccccc2OCC)cc1 38650504 VVWZDQCGTMMMDY-SANMLTNESA-N 470.525 5.311 50 10 JKGE CCOc1ccccc1[C@@H]1C(C#N)=C(N)Oc2cc(OC(=O)c3ccc(OC(C)C)cc3)ccc21 38650510 ZETLOQYEQKPQFU-SANMLTNESA-N 470.525 5.310 50 10 JKGE CCOc1ccccc1C(=O)Oc1ccc2c(c1)OC(N)=C(C#N)[C@H]2c1cccc2ccccc12 38657940 COWHBDGDZVSYTN-MHZLTWQESA-N 462.505 5.676 50 10 JKGE Cc1cc(C)c2c(CC(=O)N/N=C3\CCCc4oc(C(=O)N(C)Cc5ccccc5)c(C)c43)coc2c1 40826996 ZMYUYTZJCVREIA-UQRQXUALSA-N 497.595 5.623 50 10 JKGE Cc1cc(C)c2c(CC(=O)N/N=C3\CCCc4oc(C(=O)Oc5ccccc5)c(C)c43)coc2c1 40827005 COAKMXFMADSAFI-XHLNEMQHSA-N 470.525 5.570 50 10 JKGE CCCCCOc1ccc(/C=C/C(=O)Oc2ccc(/C=C(\C#N)C(=O)OCC)cc2OC)cc1OC 40841056 NKNFQMGFLBUARC-KJNJSDGNSA-N 493.556 5.362 50 10 JKGE Cc1ccc(-n2nc(C)c(/C=N/NC(=O)COc3ccc(C4CCCCC4)cc3)c2C)c(C)c1 59155799 ZQKAONBTVGAXCI-STBIYBPSSA-N 458.606 5.683 50 10 JKGE Cc1c(Cl)cccc1NC(=O)/C(C#N)=C/c1cn(Cc2ccc(Cl)cc2Cl)c2ccccc12 59296983 NSTBNSYUDSYDGZ-WOJGMQOQSA-N 494.809 7.504 50 10 JKGE CC(C)(C)c1ccc(OCCOc2ccc(/C=C(\C#N)C(=O)Nc3nc4ccccc4s3)cc2)cc1 89270055 SKCREQGHVNZHHA-DYTRJAOYSA-N 497.620 6.597 50 10 JKGE Cc1ccccc1CC(CBr)(CBr)c1cccc(Br)c1 118878818 IBNCMMSCOUMPRX-UHFFFAOYSA-N 461.035 6.028 50 10 JKGE Fc1cc(Br)cc(F)c1[C@@H](Br)c1cc(Cl)c(Br)s1 127545999 LWUZFMONTLWFKR-JTQLQIEISA-N 481.381 6.689 50 10 JKGE CCc1cc(CC)c([C@@H](Br)c2csc(I)c2)c(CC)c1 148085837 VUNGGXMORRSJSJ-KRWDZBQOSA-N 463.222 6.524 50 10 JKGE C[C@@H]1C[C@H](O[C@@H](CI)c2ccc(Br)cc2)CC(C)(C)C1 162135329 DHPJIRPIRAXZMB-KCXAZCMYSA-N 451.186 6.157 50 10 JKGE C[C@]12C[C@H](O[Si](C)(C)C)[C@H]3[C@@H](CC[C@H]4C[C@H](O[Si](C)(C)C)CC[C@@]43C)[C@@H]1CCC2=O 196703484 SVZGBEADGIZYEM-FCROFNNKSA-N 450.812 6.648 50 10 JKGE COC(=O)c1sc(-n2cnc3ccc(CCl)cc32)cc1O[C@@H](C)c1ccccc1C(F)(F)F 209456177 BXRDGJYSXNXZCP-ZDUSSCGKSA-N 494.922 6.771 50 10 JKGE N#C/C(=C/c1ccc(OC(=O)/C=C/c2ccccc2)cc1)c1nc(-c2ccc(F)cc2)cs1 210604433 KXIHIYPHIYFBLC-VCQCOGNXSA-N 452.510 6.632 50 10 JKGE N#C/C(=C/NCCc1ccccc1Br)C(=O)Nc1ccccc1Sc1ccccc1 217244029 APCQGRMMHIMAHB-ZPHPHTNESA-N 478.415 5.779 50 10 JKGE C[C@@H]1CCCC[C@@H]1NC(=O)[C@H](c1ccc(Cl)cc1)N(CCc1ccc(Cl)cc1)C(=O)CCl 230274824 BRVSRODHJWIGMN-UWSIMGETSA-N 495.878 6.040 50 10 JKGE Cc1ccc(Cl)cc1N(C(=O)CCl)[C@H](C(=O)N[C@@H]1CCCC[C@H]1C)c1ccc(Cl)cc1 230274969 YMCQMBMCKPKCSB-OFSQETHSSA-N 481.851 6.310 50 10 JKGE C[C@@H]1CCCC[C@H]1NC(=O)[C@H](c1ccc(Cl)cc1)N(Cc1ccc(F)cc1)C(=O)CCl 230277598 SZKVMNJNUIEAPD-VZPUWSDOSA-N 465.396 5.483 50 10 JKGE COc1ccc([C@@H](Br)c2ccc(F)cc2I)c(Br)c1 234981670 JYSNCFVVWXJMRL-CQSZACIVSA-N 499.943 5.686 50 10 JKGE Cc1cc([C@H](Cl)c2cc(I)ccc2Br)c(F)cc1F 235882290 IUQUTTCXDWAUSM-CQSZACIVSA-N 457.483 5.969 50 10 JKGE Cc1ccc(COc2c(Br)cc(CBr)cc2Br)cc1C 235910153 PWAPLGGSKCUZMY-UHFFFAOYSA-N 463.007 6.302 50 10 JKGE Clc1ccc(Br)c([C@H](Cl)c2cc(Br)c(Br)s2)c1 236038071 HILJVZOKARWITI-JTQLQIEISA-N 479.846 7.017 50 10 JKGE Clc1cc([C@@H](Br)c2cc(Br)cc(Br)c2)c(Cl)s1 236068823 VMUZWOUBFHDBOZ-JTQLQIEISA-N 479.846 7.064 50 10 JKGE CC(=NNC(=O)C1c2ccccc2Oc2ccccc21)c1cccc(NS(=O)(=O)c2ccccc2)c1 252588510 ACFNQNGIJTWXSY-UHFFFAOYSA-N 497.576 5.265 50 10 JKGE CC[C@H](Oc1ccc2ccccc2c1Br)C(=O)NN=Cc1ccccc1Br 252642915 ZQWTYIXXNJODPX-SFHVURJKSA-N 490.195 5.673 50 10 JKGE COc1ccc(-c2nnc(SCC(=O)NN=Cc3ccc(C(C)(C)C)cc3)n2-c2ccccc2)cc1 254413762 BQGSGCONXHTSBY-UHFFFAOYSA-N 499.640 5.483 50 10 JKGE CCOC(=O)c1c(NC(=O)NN=Cc2ccc(OCc3ccccc3)c(OC)c2)sc2c1CCC2 256017328 GAQCRKOXLPJAAE-UHFFFAOYSA-N 493.585 5.157 50 10 JKGE Clc1ccc(C[C@H](Br)c2cc(I)cc3c2OCC3)cc1 312252226 CMCMEPOSKRULBO-HNNXBMFYSA-N 463.540 5.558 50 10 JKGE CO[C@H]1CCCC[C@@H]1Oc1c(Br)cc(Br)cc1CBr 382204762 GXYBLIASYIJTQV-STQMWFEESA-N 457.000 5.443 50 10 JKGE Fc1cccc([C@@H](Br)c2cc(Cl)c(Cl)c(Cl)c2Cl)c1Br 404642111 DJRABULUHUBMGT-SECBINFHSA-N 481.801 7.686 50 10 JKGE Brc1cc2c(c([C@@H](Br)c3csc(Br)c3)c1)OCCC2 688370847 IRYDKOFSHBZIFS-ZDUSSCGKSA-N 467.020 6.082 50 10 JKGE C[C@H]1Cc2cc(Br)cc([C@@H](Br)c3cccc(Br)c3)c2O1 720052741 OOJBSOMDRJRSAD-VFZGTOFNSA-N 460.991 6.019 50 10 JKGE CC(=NNC(=O)CN(c1ccccc1C)S(=O)(=O)c1ccccc1)c1ccc(C(C)(C)C)cc1 1083881397 YIAWKAHUUOCBPT-UHFFFAOYSA-N 477.630 5.028 50 10 JKGE O=C(CSc1c(Cl)c(Cl)c(Cl)c(Cl)c1Cl)NN=Cc1cccc2ccccc12 1084077714 SODREILTADYJIZ-UHFFFAOYSA-N 492.642 7.349 50 10 JKGE N#C/C(=C\c1cc(Br)ccc1OCc1ccc(Cl)c(Cl)c1)C(=O)NC1CCCC1 1084150554 DXHMPUZYTMFWLJ-MHWRWJLKSA-N 494.216 6.301 50 10 JKGE Cc1ccc(C(=O)NN=C2C(=O)N(Cc3cccc4ccccc34)c3ccccc32)cc1Cl 1084569735 YZICHFCHINIHQT-UHFFFAOYSA-N 453.929 5.483 50 10 JKGE CCOc1ccc(C(=O)NN=Cc2cc(C)n(-c3ccc(C)c(Br)c3)c2C)cc1 1084575204 GGTROXKKHIBVFO-UHFFFAOYSA-N 454.368 5.328 50 10 JKGE Cc1cc(OC(=O)c2oc3c(c2C)C(=NNC(=O)c2ccccc2C)CCC3)ccc1Cl 1772744542 ZHEMJTPNKLDHBQ-UHFFFAOYSA-N 450.922 5.548 50 10 JKGE Cc1ccc(COc2ccc(C=NNC(=O)COc3c(C)cc(Br)cc3C)cc2)cc1 1772753632 WSHXSRJNJVNWLF-UHFFFAOYSA-N 481.390 5.482 50 10 JKGE CCCc1nn(Cc2ccccc2Cl)c2c1[C@H](c1ccc(Cl)cc1Cl)C(C#N)=C(N)O2 1865685831 NTVXSWOBDRNJFC-HXUWFJFHSA-N 473.791 6.062 50 10 JKGE CCOc1cccc([C@H]2C(C#N)=C(N)Oc3c2c(-c2ccccc2)nn3-c2cccc3ccccc23)c1 1865689907 GGBHPOXICWGFLU-MHZLTWQESA-N 484.559 6.309 50 10 JKGE CCOc1cccc([C@@H]2C(C#N)=C(N)Oc3c2c(C(F)(F)F)nn3Cc2cccc(Cl)c2)c1 1865690490 STFFSSOCWOLJNA-GOSISDBHSA-N 474.870 5.220 50 10 JKGE COc1ccc(-c2nn(-c3ccc(C)cc3)c3c2[C@@H](c2cc(OC)ccc2OC)C(C#N)=C(N)O3)cc1 1865692001 HBGRRAAZWASMTF-VWLOTQADSA-N 494.551 5.092 50 10 JKGE CCCOc1cccc([C@@H]2C(C#N)=C(N)Oc3c2c(-c2ccccc2)nn3Cc2ccc(Cl)cc2)c1 1865693659 LLIWFKJJWGXHMF-RUZDIDTESA-N 496.998 6.259 50 10 JKGE COc1ccc(-c2nn(-c3ccc(Cl)cc3)c3c2[C@@H](c2ccccc2C(=O)O)C(C#N)=C(N)O3)cc1 1865704555 YRTKUBOWICZKEP-QFIPXVFZSA-N 498.926 5.118 50 10 JKGE CC[C@H](NC(=O)[C@H](c1ccc(OC)cc1)C1CCCC1)C(=O)Nc1ccc(SC#N)cc1 1867010808 HAVLHMIGWRKRLG-GOTSBHOMSA-N 451.592 5.076 50 10 JKGE O=c1c(-c2ccc(OC(F)(F)F)cc2)coc2cc(OCc3cccc(CCl)c3)ccc12 1871437330 SCCVSPBEAQWGQV-UHFFFAOYSA-N 460.835 6.676 50 10 JKGE Cc1cc(OC/C(O)=C(\C#N)c2nc(-c3ccc(Oc4ccccc4)cc3)cs2)cc(C)c1Cl 1872753736 KRCGCBWITJLZTI-BZZOAKBMSA-N 488.996 7.744 50 10 JKGE COc1c(Cl)cc(-c2csc(/C(C#N)=C(\O)COc3ccc(Cl)cc3)n2)cc1Cl 1872756072 QVARLURNYIQVAA-JXAWBTAJSA-N 467.761 6.651 50 10 JKGE COc1cccc(-c2csc(/C(C#N)=C/c3ccc(OCCc4ccccc4)c(OC)c3)n2)c1 1872781922 WJVKYWWCSWRISN-HZHRSRAPSA-N 468.578 6.513 50 10 JKGE CCCCOc1ccc(/C=C(\C#N)c2nc(-c3cccc(Br)c3)cs2)cc1OCC 1872784093 CCKAZTLERXAYLT-XDHOZWIPSA-N 483.431 7.214 50 10 JKGE COc1ccc(C(C)(C)C)cc1-c1csc(/C(C#N)=C/c2cc(OC)c(O)c(OC)c2)n1 1872793028 DONBPVRRBOWMSB-CXUHLZMHSA-N 450.560 5.903 50 10 JKGE COc1cc(-c2csc(/C(C#N)=C/c3cc4c(cc3[N+](=O)[O-])OCCO4)n2)c(OC)cc1Cl 1872793616 KDAIMVQZJVOOSY-WLRTZDKTSA-N 485.905 5.224 50 10 JKGE COc1cc(OC)c(-c2csc(/C(C#N)=C/c3cccc(OCc4ccccc4)c3)n2)cc1Cl 1872793620 KHPQHBNGKAHRMV-RGVLZGJSSA-N 488.996 7.124 50 10 JKGE Cl[C@@H](c1cocc1Br)c1cc(Br)ccc1OCc1ccccc1 1899856274 GQTKSZISHDCLHG-GOSISDBHSA-N 456.561 6.712 50 10 JKGE COc1cc(C)c([C@H](Br)c2cc(C)c(Br)o2)cc1Br 1901585399 BKLHPLYDYUPTPL-ZDUSSCGKSA-N 452.968 5.914 50 10 JKGE O=C(c1ccc(Cl)cc1C(F)(F)F)N(Cc1ccccc1)C1(CBr)CCC1 1915741499 NOZRQCHVCXLHPX-UHFFFAOYSA-N 460.721 6.319 50 10 JKGE CCc1nn(CC)c(CN(Cc2ccccc2)C2(CBr)CCC2)c1Br 1915741984 QRJNYQIOYAGTGT-UHFFFAOYSA-N 469.265 5.548 50 10 JKGE CCC[C@H](CC(C)C)[C@H](Br)c1sc(Br)c(C)c1Br 1922893024 CWEXNGVRSVGFKM-PWSUYJOCSA-N 461.101 7.480 50 10 JKGE FC(F)(F)C([C@@H](Cl)c1c(Br)sc(Br)c1Cl)C(F)(F)F 1923066619 RWEKBTIVDPFSOC-REOHCLBHSA-N 474.873 6.947 50 10 JKGE COc1sccc1[C@H](Br)c1c(Br)sc(Br)c1Cl 1923071281 IBLLHBBHASBIAQ-LURJTMIESA-N 481.456 6.481 50 10 JKGE Cc1cc(Br)sc1[C@H](Br)c1ccc(OCc2ccccc2)cc1 1939449081 CCLZWDWWWOLKSY-GOSISDBHSA-N 452.211 6.882 50 10 JKGE BrCc1cc(Br)ccc1N1C[C@H]2C[C@H]1CN(Cc1ccccc1)C2 1997908745 ALPHKAGXJDMYDC-LPHOPBHVSA-N 450.218 5.055 50 10 JKGE CC1(C)CC[C@H](Br)CN1C(=O)c1scc(Br)c1Br 2038521134 BNKCWSBMVNJKSH-ZETCQYMHSA-N 460.029 5.051 50 10 JKGE C[C@]1([C@@H](Br)c2cc(Br)ccc2Br)C[C@H]1C(F)(F)F 2039181061 QCFGVSZLBNSVTF-VWYCJHECSA-N 450.918 6.236 50 10 JKGE Cc1c(Br)ccc([C@H](Br)c2scc(Cl)c2Cl)c1Br 2083330501 PJEYIQHEAPHDFD-JTQLQIEISA-N 493.873 7.373 50 10 JKGE CC[C@]12CO[C@]([C@@H](Br)c3c(Br)sc(Br)c3Cl)(C1)C2 2084491614 VFNOKOHXILBHDC-KPXOXKRLSA-N 479.459 6.322 50 10 JKGE C[C@@H](c1ccncc1)[C@@H](Br)c1ccc(Br)cc1I 2086149268 LSIZNTDLGXEALE-LKFCYVNXSA-N 480.969 5.688 50 10 JKGE Cl[C@H](c1cc(Br)c2c(c1)CCO2)c1cc(Br)sc1Br 2090467047 KKWSIAMIHLLIMI-LLVKDONJSA-N 487.438 6.299 50 10 JKGE C[C@@H]1Cc2cc([C@H](Cl)c3sccc3I)cc(Br)c2O1 2090470301 MRMDXASGTLCDJD-KRTXAFLBSA-N 469.569 5.767 50 10 JKGE Brc1cccc(Br)c1CN1CC[C@@H]2C[C@@H](Br)CC[C@H]21 2094090927 MRSNHNXURAKDNS-JRPNMDOOSA-N 452.028 5.350 50 10 JKGE CN(C[C@@H](Br)C1CCCC1)C(=O)c1cc(Br)c(Br)s1 2111349528 XKZMDRNBYFDNAW-SNVBAGLBSA-N 474.056 5.299 50 10 JKGE COc1ccc(Br)cc1[C@H](Cl)c1cc(I)ccc1F 2113358261 OUHFMBBWSILMOP-CQSZACIVSA-N 455.492 5.530 50 10 JKGE Fc1c(Cl)cccc1C[C@H](Br)c1ccc(Br)cc1Br 2113464235 UOBWYNDOEQNLAK-NSHDSACASA-N 471.389 6.683 50 10 JKGE C[C@H]1CN(Cc2c(Br)cccc2Br)CC[C@@H]1CCBr 2115840415 AYURXABDGLKLPO-RYUDHWBXSA-N 454.044 5.455 50 10 JKGE Cc1cc(Br)c(C)c([C@H](Br)[C@@H]2C[C@]23CC3(F)F)c1Br 2136378620 WQUGFPCCIOMAKK-CKLFPEKLSA-N 458.966 6.310 50 10 JKGE COc1cc(F)c([C@@H](Br)c2scc(C)c2Br)cc1Br 2138147813 GFFDZHVEHWOPIR-GFCCVEGCSA-N 472.999 6.214 50 10 JKGE Cc1c(F)ccc([C@@H](Br)c2c(Br)cccc2Br)c1C 2138887707 HIKDTIYYRCQVEM-OAHLLOKOSA-N 450.971 6.452 50 10 JKGE FC(F)(F)c1csc([C@H](Cl)Cc2ccccc2I)c1Br 2143868919 UBUIMBZBDPSYGM-SECBINFHSA-N 495.529 6.657 50 10 JKGE O=C(c1scc(Br)c1Br)N1CC2(CCC2)CC[C@@H]1CBr 2152058381 XBLNUZMECYIRPU-SECBINFHSA-N 486.067 5.443 50 10 JKGE BrC[C@]12CCC[C@@H]1N(Cc1cc(Br)ccc1Br)CCC2 2175152590 OPCUYOKEEROGJL-JKSUJKDBSA-N 466.055 5.741 50 10 JKGE COc1c(CBr)cc(Cl)cc1S(=O)(=O)N(Cc1ccccc1)CC1CCC1 2179826323 QXBJEFRFJAIMBP-UHFFFAOYSA-N 472.832 5.235 50 10 JKGE CO[C@@H]1C[C@@H]([C@@H](Br)c2cc(Br)c(C)cc2Br)C12CCC2 2190382131 YYYKQJJIXTVQHF-GLQYFDAESA-N 467.039 6.161 50 10 JKGE CN(c1ccc(F)c(Cl)c1CBr)[C@@H]1C[C@@H]2C[C@@H](OCc3ccccc3)C[C@@H]21 2190552414 AQWTYHCLTZLOFH-GRXQJBFDSA-N 452.795 6.194 50 10 JKGE COc1cc([C@H](Br)c2ccc(Br)c(C)c2Br)ccc1C 2203685203 JKLKBJWOBKNHJN-INIZCTEOSA-N 463.007 6.321 50 10 JKGE O=[N+]([O-])c1sc(CBr)cc1Oc1ccc(Cl)c(Cl)c1Br 2206354373 OCFWFCBXTJTNER-UHFFFAOYSA-N 461.946 6.413 50 10 JKGE CCCOCC[C@@H](Cl)c1sc(Br)c(Br)c1Br 2212197926 KCYKPPUMYAMYFC-ZCFIWIBFSA-N 455.437 6.132 50 10 JKGE CC1(C)OC[C@@H](c2sc(Br)c(Br)c2Br)[C@H]1Cl 2212288494 FQPDVZPEEHFRBS-RNHFCUEFSA-N 453.421 5.535 50 10 JKGE Cc1sc(Br)c(C)c1[C@@H](Br)c1scc(Br)c1C 2213766810 ADPWVEZPLGCQEV-SNVBAGLBSA-N 459.066 6.744 50 10 JKGE Cc1nc([C@H](Cl)c2cc(Br)c(Br)cc2F)c(Br)s1 2218596485 FNBPKESNAHHDSA-SECBINFHSA-N 478.406 6.206 50 10 JKGE COc1cc(Br)c([C@H](Br)c2cccc(OCc3ccccc3)c2)cc1C 2227728663 WZPDHBKYCKWGTO-JOCHJYFZSA-N 476.208 6.829 50 10 JKGE Cc1cc(Br)c([C@@H](Br)c2ccc3c(c2Br)CCO3)s1 2229745298 BMGCYWYHKCBNJR-ZDUSSCGKSA-N 467.020 6.001 50 10 JKGE Cc1cc(Br)c([C@@H](Br)c2cscc2OCc2ccccc2)c(C)c1F 2253515292 AZFGFBYISSNWLD-IBGZPJMESA-N 484.228 7.330 50 10 JKGE Fc1cc([C@@H](Br)c2cc(Cl)c(Br)s2)c(Cl)cc1Br 2255969225 GHKSZPAJPOXOER-SNVBAGLBSA-N 497.836 7.203 50 10 JKGE Clc1ccc([C@H](Br)c2ncn3ccsc23)cc1I 2256337595 TZLXVDPIGNVPDB-JTQLQIEISA-N 453.530 5.138 50 10 JKGE Cc1cc(Cl)c(Cl)cc1[C@@H](Cl)c1cc(Br)ccc1I 2264372037 SRIYQQGZMIRAIQ-CQSZACIVSA-N 490.393 6.997 50 10 JKGE Fc1cc(Br)c(F)c(Br)c1[C@@H](Br)C1CCCCCC1 2272726760 QIBFXQQOJKMOFH-LBPRGKRZSA-N 460.982 6.896 50 10 JKGE Fc1cc(Br)c(F)c(Br)c1[C@H](Br)C[C@@H]1C[C@H]1C1CC1 2272739610 NDSZALXGIJBVCX-XHNCKOQMSA-N 458.966 6.362 50 10 JKGE CC1(C)CCC[C@@H]1[C@@H](Br)c1c(F)cc(Br)c(F)c1Br 2272741399 UWCVEEGFUUSTSN-RDDDGLTNSA-N 460.982 6.752 50 10 JKGE COC1([C@H](Br)c2c(F)cc(Br)c(F)c2Br)CC(C)C1 2272842216 IYOZXTOSVHWKSH-SKPUXYCPSA-N 462.954 5.741 50 10 JKGE CCc1nc([C@@H](Br)c2c(Br)cc(C)c(F)c2C)c(Br)s1 2279159292 PBLHABJLVRMHKD-NSHDSACASA-N 486.042 6.471 50 10 JKGE Fc1cccc(I)c1[C@H](Br)Cc1nc2ccccc2s1 2282889003 RHPOUNAWIWDHRK-SECBINFHSA-N 462.125 5.719 50 10 JKGE Clc1ccc([C@@H](Br)c2ccc([C@H]3CCOC3)s2)cc1I 2283580172 DAWIZWRSDGQXIG-ZUZCIYMTSA-N 483.596 5.994 50 10 JKGE COc1ccc([C@H](Br)[C@]2(C)CCCCC2(F)F)cc1I 2285011108 SPGJKHZPJIOVPO-KBPBESRZSA-N 459.112 5.951 50 10 JKGE COc1cc(C)c([C@H](Br)c2cc(Br)c(Br)s2)c(OC)c1 2287196738 VBMBNELBUBBWEW-CYBMUJFWSA-N 485.035 6.083 50 10 JKGE N#CC(=Cc1cn(Cc2cccc(C(F)(F)F)c2)c2ccccc12)S(=O)(=O)c1ccccc1 2295422621 PYQQKDWUMYGQBJ-UHFFFAOYSA-N 466.484 6.047 50 10 JKGE COc1c(Br)cc([C@H](Br)c2sccc2Br)c(OC)c1C 2295432775 LWWRDSMPSWZEAA-NSHDSACASA-N 485.035 6.083 50 10 JKGE COc1ccccc1NC(=O)C(C#N)=C1S[C@H](Cc2ccccc2Cl)C(=O)N1c1ccccc1 2296506853 IKFYEXXIPNLNKR-HSZRJFAPSA-N 489.984 5.414 50 10 JKGE N#CC(=Cc1ccc(-c2ccc(Cl)c(Cl)c2)o1)C(=O)Nc1cc(C(F)(F)F)ccc1Cl 2296819204 WBBLFHQQHBECQL-UHFFFAOYSA-N 485.676 7.471 50 10 JKGE Cc1ccc(NC(SCc2ccc(Cl)cc2)=C(C#N)C(=O)NCc2ccco2)cc1C 2297414581 OGMQIKWQCNCIGW-UHFFFAOYSA-N 451.979 5.947 50 10 JKGE CCN(C[C@@](C)(CI)O[C@@H]1C[C@H]2CC[C@H](C2)C1)C(=O)OC(C)(C)C 2299587812 VPRWWDKUKFSISG-PASDCYSWSA-N 451.389 5.032 50 10 JKGE CC[C@](C)(C(F)F)[C@@H](Br)c1sc(Br)c(C)c1Br 2299839343 USLUUTHTVXCPDK-KWQFWETISA-N 455.000 6.699 50 10 JKGE Cc1cc(C=C(C#N)C(=O)N2CCN(c3ccccc3)CC2)c(C)n1-c1ccc(C(C)(C)C)cc1 2313545834 ISKBEWQBOJROPI-UHFFFAOYSA-N 466.629 5.647 50 10 JKGE C=CCc1cc(C=C(C#N)C(=O)Nc2cccc(Cl)c2Cl)ccc1OCc1ccc(F)cc1 2313570601 AVTCGZMTOAAPBF-UHFFFAOYSA-N 481.354 6.986 50 10 JKGE N#CC(=Cc1ccc(-c2ccc(Cl)c(C(=O)O)c2)o1)C(=O)Nc1cccc(Cl)c1Cl 2313571423 WBOZHRVOZPIYTH-UHFFFAOYSA-N 461.688 6.151 50 10 JKGE COc1cc(C=C(C#N)C(=O)Nc2ccc(Cl)c(Cl)c2)ccc1OCc1ccc(Cl)cc1 2313630857 GLHBCCBXMJHRSI-UHFFFAOYSA-N 487.770 6.780 50 10 JKGE N#CC(=Cc1ccc(N2N=C(c3ccccc3)C[C@H]2c2ccccc2)cc1)C(=O)NCc1ccccc1 2314482163 ABNQWCWMMGMLHG-HKBQPEDESA-N 482.587 6.266 50 10 JKGE CC1=C(C#N)C(=O)N(CCc2ccccc2)C(=O)C1=Cc1cn(-c2ccccc2)nc1-c1ccccc1 2314617385 XHIWPGBNIKGEGB-UHFFFAOYSA-N 484.559 5.374 50 10 JKGE COc1cc(F)cc([C@@H](Br)c2sc(Cl)cc2I)c1 2316596353 DGWKETKDXZLEPY-LLVKDONJSA-N 461.521 5.638 50 10 JKGE COC[C@]1(C)C[C@]1(CBr)Cc1ccc(I)c(Br)c1 2325223505 YFAOVKIWKZCNTG-KBPBESRZSA-N 488.001 5.034 50 10 JKGE Cc1ccc(-c2csc(C(C#N)=C(O)C=Cc3ccc(OCc4ccccc4Cl)cc3)n2)c(C)c1 2331309073 SEKQZPLBXKXXSA-UHFFFAOYSA-N 499.035 8.165 50 10 JKGE COc1ccc(CC(O)=C(C#N)c2nc(-c3cc(Cl)c(OC)cc3OC)cs2)c(OC)c1 2331377597 QENKZHRCDYNRMP-UHFFFAOYSA-N 472.950 5.533 50 10 JKGE Cc1ccc(C(C)(C)C)cc1-c1csc(C(C#N)=C(O)C=Cc2ccc(C(C)(C)C)cc2)n1 2331396276 FTZDGJXCNPPMME-UHFFFAOYSA-N 456.655 8.220 50 10 JKGE CCCOc1ccc(-c2csc(C(C#N)=Cc3ccc(OC(C)C)c(OC)c3)n2)cc1OCCC 2331437862 JQEJNDUYSOVKRS-UHFFFAOYSA-N 492.641 7.248 50 10 JKGE Cc1ccccc1COc1ccc(C=C(C#N)c2nc(-c3ccc(Cl)c(Cl)c3)cs2)cc1 2331443918 MZTGGWRZEZRYRL-UHFFFAOYSA-N 477.416 8.069 50 10 JKGE COc1cc(OC)c(OC)cc1C=C(C#N)c1nc(-c2cc(Cl)cc(C)c2OC)cs1 2331474432 HGVTVCYAKJTEIO-UHFFFAOYSA-N 456.951 5.871 50 10 JKGE COc1c(Cl)cc(-c2csc(C(C#N)=Cc3cccc(OCc4ccccc4)c3)n2)cc1Cl 2331481024 UJADMEYDIZGEEO-UHFFFAOYSA-N 493.415 7.769 50 10 JKGE FC(F)(F)c1ccc([C@@H](Cl)c2ccc(OCc3ccccc3)cc2Br)s1 2336047060 JEBYIGUGJFOULX-SFHVURJKSA-N 461.730 7.437 50 10 JKGE Cc1cc(Br)c(F)c(Br)c1[C@H](Br)c1cnc(Cl)n1C 2339680161 TZJHDVROMRTVJD-SECBINFHSA-N 475.381 5.530 50 10 JKGE Cc1cc(Br)c(F)c(Br)c1[C@H](Br)[C@H]1[C@H]2[C@H]3C[C@@H]1C[C@H]32 2339686650 ZTPKSEPJLWJLNT-KDUQGYQMSA-N 452.987 5.997 50 10 JKGE Cc1cc(Br)ccc1[C@H](Cl)c1c(F)cc(Cl)c(Br)c1Cl 2360429874 SWCUEHKKNJSEOA-ZDUSSCGKSA-N 461.383 7.294 50 10 JKGE CC(C)[C@H](Oc1cc(Br)cc(I)c1)c1nc(CCl)cs1 2364267241 HURYPWDKPGGQER-ZDUSSCGKSA-N 486.600 6.025 50 10 JKGE CN(CC[C@H](Br)c1cccs1)C(=O)c1scc(Br)c1Cl 2366243757 PXUDFGTZTVKPFR-QMMMGPOBSA-N 457.640 5.824 50 10 JKGE Cc1cc(Br)c(C(C)C)cc1[C@@H](Br)c1cc(Br)c(C)s1 2380938872 DYKFVOFDUUEENA-MRXNPFEDSA-N 481.091 7.498 50 10 JKGE Cc1cc(Cl)c([C@@H](Br)c2cc(C3CC3)c(Br)s2)c(Cl)c1 2381300534 XDWOQUVZNKZAMR-AWEZNQCLSA-N 455.042 7.488 50 10 JKGE CC(C)(C)Oc1ccc([C@H](Br)c2csnc2Br)cc1Br 2381305146 ZZYQXIDHLKCDLA-LBPRGKRZSA-N 484.051 6.330 50 10 JKGE CCOC(=O)C1=C(C)OC(N)=C(C#N)[C@@H]1c1cc(COc2ccccc2Cl)c(C)cc1C 2728301 XWEFFHZRYWLNMZ-QHCPKHFHSA-N 452.938 5.181 50 10 JKGE O=C(NC1CCCC1)[C@@H](c1ccc(Cl)cc1)N(Cc1ccc(Cl)cc1)C(=O)CCl 3039453 IQJRXIUCGOOBRY-OAQYLSRUSA-N 453.797 5.361 50 10 JKGE O=C(COc1ccc(-c2ccccc2)cc1)N/N=C/c1cn(Cc2ccccc2)c2ccccc12 3143853 WBWKEGCSLPXNKD-ZCTHSVRISA-N 459.549 5.886 50 10 JKGE C/C(=N\NC(=O)c1cccc(S(=O)(=O)Nc2ccccc2Cl)c1)c1ccc2ccccc2c1 12561269 RAMOYECDHZOEQJ-WPWMEQJKSA-N 477.973 5.448 50 10 JKGE CC(C)(C)c1ccc(C(=O)Nc2ccc(C(=O)NNC(=O)/C=C/c3ccc(Cl)cc3)cc2)cc1 14833672 RVXWBUZRNRDKOO-UBKPWBPPSA-N 475.976 5.364 50 10 JKGE C=CCN1C(=O)C(C#N)=C(C)/C(=C/c2ccc(-c3ccc(Cl)c(C(=O)OCC(C)C)c3)o2)C1=O 20036574 ZQPMRTULVCVUEM-UNOMPAQXSA-N 478.932 5.191 50 10 JKGE CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(OC)cc2)ccc1OCc1ccc(Cl)c(Cl)c1 20175959 LJUDSSCUXQYKNJ-XDHOZWIPSA-N 497.378 6.525 50 10 JKGE COc1ccc(/C(C#N)=C\c2ccc(OC(=O)CCc3ccc(C)cc3)c(OC)c2)cc1OC 31902088 APCSNIDCDQHKEI-HAHDFKILSA-N 457.526 5.623 50 10 JKGE Cc1sc(/C(C#N)=C\c2ccc(Br)cc2)nc1-c1ccc(Br)cc1 33932232 YPFHXVWOOQCLEP-GDNBJRDFSA-N 460.194 6.708 50 10 JKGE N#CC1=C(N)Oc2cc(OC(=O)Cc3cccc4ccccc34)ccc2[C@H]1c1ccccc1Cl 38651051 YEUNAGJXIJQWDK-HHHXNRCGSA-N 466.924 5.859 50 10 JKGE CCCCOc1cccc(C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@H]3c2ccc([N+](=O)[O-])cc2)c1 38654925 UUQSXGRZFWYPTK-VWLOTQADSA-N 485.496 5.211 50 10 JKGE CCCCC1CCC(C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@@H]3c2cccc(OC)c2OC)CC1 38688651 OGEJCGQUEZXSID-CPHAMLGRSA-N 490.600 5.824 50 10 JKGE CCCOc1cccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4oc5ccc(F)cc5c4C)ccc32)c1 38701021 NYAIEZMSQFXOTN-SANMLTNESA-N 498.510 6.107 50 10 JKGE N#C/C(=C\c1c2ccccc2cc2ccccc12)c1nc2ccc(Br)cc2c(=O)[nH]1 39794882 IYZJWHKHUBWSIM-SFQUDFHCSA-N 452.311 6.056 50 10 JKGE CCc1ccc(NC(=S)NNC(=O)c2ccc(-c3ccc(Cl)c(C(F)(F)F)c3)o2)cc1 39892553 IZTSKEWAHJGLDV-UHFFFAOYSA-N 467.900 5.813 50 10 JKGE CCCCc1ccc(NC(=O)c2oc3c(c2C)/C(=N/NC(=O)c2ccccc2C)CCC3)cc1 40811464 RVWWUCXHMDPUBN-JJKYIXSRSA-N 457.574 5.962 50 10 JKGE Cc1ccccc1C(=O)N/N=C1\C(=O)N(Cc2ccc(Cl)cc2)c2ccc(Br)cc21 40840312 BNRHFYXKIUOCCJ-QLYXXIJNSA-N 482.765 5.092 50 10 JKGE COc1cccc(/C=C(/C#N)C(=O)Nc2cccc(Cl)c2Cl)c1OCc1ccccc1 59117314 HMWMEPNZERIPNC-AQTBWJFISA-N 453.325 6.127 50 10 JKGE O=C(Cc1ccccc1)N/N=C/c1c(Oc2ccc(C(F)(F)F)cc2[N+](=O)[O-])ccc2ccccc12 59463022 BKEZVOZRCLTEHR-OKCVXOCRSA-N 493.441 6.252 50 10 JKGE Fc1ccc(Br)c([C@H](Br)c2cc(F)c(Br)cc2F)c1 70474505 YOBPYIVTSRYWQA-ZDUSSCGKSA-N 458.897 6.113 50 10 JKGE C[C@H](NC(=O)/C(C#N)=C\c1ccc(COc2c(Cl)cc(Cl)cc2Cl)o1)c1ccccc1 96504365 VURFATIDJMHISS-CIKBWMHTSA-N 475.759 6.603 50 10 JKGE N#C/C(=C/c1ccc(OC(=O)c2ccc(Cl)cc2)cc1)C(=O)Nc1ccccc1C(F)(F)F 96586001 VUABVZXBIZZVAD-LGMDPLHJSA-N 470.834 6.124 50 10 JKGE COc1c(Br)cc(Cl)cc1[C@H](Br)c1cc(F)ccc1Br 109836118 GYJQVOXVEUYGEJ-CYBMUJFWSA-N 487.388 6.497 50 10 JKGE CC(C)c1ccc([C@@H](Br)c2csc(I)c2)c(C(C)C)c1 124415726 PYJHFYRSBFQOTA-KRWDZBQOSA-N 463.222 7.084 50 10 JKGE Brc1cc([C@H](Br)[C@H]2CCOc3ccccc32)sc1Br 128252923 JNHQYEDFRKRNLV-TVQRCGJNSA-N 467.020 6.275 50 10 JKGE O=C(NC[C@@H](Br)c1ccccc1)c1cc(Br)c(Br)s1 139478986 CZSRDKXRPLGZBW-SNVBAGLBSA-N 468.008 5.139 50 10 JKGE Fc1cccc([C@H](Br)c2ccc(Br)c3ccccc23)c1Br 156126765 XJLHWPZOONJRST-MRXNPFEDSA-N 472.977 6.988 50 10 JKGE COc1cc(Cl)c([C@@H](Cl)c2cc(Br)c(Br)s2)cc1Cl 166964201 WBXKUGWNLDZTON-LLVKDONJSA-N 465.421 6.917 50 10 JKGE C=C1CC[C@@H](O[Si](C)(C)C(C)(C)C)C/C1=C\CP(=O)(c1ccccc1)c1ccccc1 196272840 OFSDSMTXHBTJEI-UKPAFZAXSA-N 452.651 7.057 50 10 JKGE CCCCOc1cccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)/C=C\c4ccccc4)ccc32)c1 205660283 HTGVWBAZYQRCGM-UECSFKBFSA-N 466.537 5.702 50 10 JKGE CC[C@H](C)N1C(=O)C(C#N)=C(C)/C(=C/c2cn(-c3ccccc3)nc2-c2ccc(C)c(F)c2)C1=O 214258909 MBNDRSNIVSCAGA-QRAWFLTRSA-N 468.532 5.378 50 10 JKGE Cc1sc(Br)cc1[C@@H](Cl)c1ccc(Br)cc1Br 235818408 FDLGGPXVRATTQL-LBPRGKRZSA-N 459.428 6.672 50 10 JKGE CC(=NNC(=O)c1cc(-c2cccs2)nc2ccccc12)c1cccc(NC(=O)c2ccc(C)o2)c1 252623511 OTECOMVJGUPGKZ-UHFFFAOYSA-N 494.576 6.271 50 10 JKGE Cc1ccccc1OCc1ccc(C=NNC(=O)[C@@H](Sc2ccccc2)c2ccccc2)o1 254385119 RQMYEULGINETBS-SANMLTNESA-N 456.567 6.151 50 10 JKGE CCOc1ccc(C=NNC(=O)CSc2nc3ccccc3n2Cc2ccc(C)cc2)cc1 254509427 YMPRWBDSSDTMDI-UHFFFAOYSA-N 458.587 5.034 50 10 JKGE CC(=NNC(=O)c1ccc(COc2ccccc2-c2ccccc2)cc1)c1cccc2ccccc12 254739140 VBRHGCKIYFLGOB-UHFFFAOYSA-N 470.572 7.240 50 10 JKGE CCOc1ccc(C(=O)Oc2ccc3ccccc3c2C=NNC(=O)COc2cccc(C)c2)cc1 254821002 PNGWRGKOLAZDKS-UHFFFAOYSA-N 482.536 5.295 50 10 JKGE CCCCCCCCO[C@](C)(CI)CN(CC)C(=O)OC(C)(C)C 303741861 RBXORUNJEAVXJW-LJQANCHMSA-N 455.421 5.814 50 10 JKGE Cc1sc(Br)cc1[C@@H](Br)c1sccc1I 307357153 WCXSYYKPBMKXNR-SECBINFHSA-N 478.012 5.969 50 10 JKGE Clc1ccccc1C[C@H](Br)c1cc(I)cc2c1OCC2 312343256 LJTQIMNLLIZXSL-AWEZNQCLSA-N 463.540 5.558 50 10 JKGE Fc1cccc(-n2c(CCl)nc3c(Br)cccc32)c1I 312420359 RFUYWTYVKUXNER-UHFFFAOYSA-N 465.491 5.271 50 10 JKGE Cc1cc([C@H](Cl)c2cc(I)ccc2Br)c(C)cc1F 386497862 ZWQLRDXYTWFCGV-HNNXBMFYSA-N 453.520 6.138 50 10 JKGE C[C@H](Cl)c1nc2cc(I)ccc2n1C[C@H](C)N(C)Cc1ccccc1 390459840 BQLLWPZJAWZNHF-GJZGRUSLSA-N 467.782 5.461 50 10 JKGE CC(C)(C)OC(=O)N1CC[C@@H](c2cccc(CO[Si](C)(C)C(C)(C)C)c2)c2ccccc21 616677093 XZVJXJPQUBTBTL-QFIPXVFZSA-N 453.699 7.486 50 10 JKGE Brc1cc([C@H](Br)c2cc(Br)c3c(c2)CCCO3)cs1 689526679 KAESJIGXUUYARC-CYBMUJFWSA-N 467.020 6.082 50 10 JKGE Cc1cc(Br)c([C@H](Br)[C@@H]2CCCC3(CC3)C2)cc1Br 696529718 VEBDCXNOKMLHIF-IAQYHMDHSA-N 451.040 6.926 50 10 JKGE COCc1cc(Br)c([C@H](Br)c2ccsc2Br)s1 698587352 HMKUSYSQMVILRP-SECBINFHSA-N 461.038 5.965 50 10 JKGE COc1cccc2c1nc([C@H](C)Cl)n2CC1(N(Cc2ccccc2)Cc2ccccc2)COC1 705598434 BZUFKFZZYYULKR-NRFANRHFSA-N 476.020 5.816 50 10 JKGE Cc1cc([C@@H](Br)c2cc(Br)cc3c2O[C@@H](C)C3)sc1Br 720054248 UGEZIEJTKJUBDM-SDBXPKJASA-N 481.047 6.389 50 10 JKGE O=C(N[C@H](CCBr)C1CCCC1)c1scc(Br)c1Br 725095106 ROOABJMASDSCMX-SNVBAGLBSA-N 474.056 5.347 50 10 JKGE Cc1ccc(NC(=O)/C(C#N)=C\c2cc(Cl)ccc2OCc2cccc(Cl)c2)c(C)c1 1083959469 WDUHGDVIEICVND-NDENLUEZSA-N 451.353 6.735 50 10 JKGE CCOc1ccc([C@H](O)CCC(=O)NN=Cc2ccccc2OCc2ccccc2Cl)cc1 1084016687 AVRBHZAEMZUVPM-XMMPIXPASA-N 466.965 5.282 50 10 JKGE CCOC(=O)c1ccc(-n2c(C)cc(C=NNC(=O)c3ccc(-n4c(C)ccc4C)cc3)c2C)cc1 1084079359 XAHRHEVJOADHAI-UHFFFAOYSA-N 482.584 5.442 50 10 JKGE CCOc1cc(/C=C(/C#N)C(=O)Nc2ccccc2F)ccc1OCc1cccc(Cl)c1 1084412234 DTKZYXYSJBJWMP-UNOMPAQXSA-N 450.897 6.002 50 10 JKGE Cc1ccccc1NC(=O)c1oc2c(c1C)C(=NNC(=O)c1ccc(Br)cc1)CCC2 1772743735 KOOCGJROXBAEIF-UHFFFAOYSA-N 480.362 5.382 50 10 JKGE COc1ccc(C(=O)NN=C2CCCc3oc(C(=O)Nc4cccc(C(F)(F)F)c4)c(C)c32)cc1 1772745876 MNIORMQPYHOKJP-UHFFFAOYSA-N 485.462 5.338 50 10 JKGE COc1ccc2ccccc2c1C=NNC(=O)COc1ccc(-c2ccccc2)cc1Br 1772753655 AADUPGHDTCMQMT-UHFFFAOYSA-N 489.369 5.807 50 10 JKGE Cc1cccc(C(C)C)c1NC(=O)COc1cccnc1NC(=O)Oc1ccc([N+](=O)[O-])cc1F 1858684292 UMLHRXKQQBNXND-UHFFFAOYSA-N 482.468 5.189 50 10 JKGE N#CSc1ccc(NC(=O)Oc2cccc3c(NC(=O)Cc4cccs4)cccc23)cc1 1858770688 XDDZIPRMLGTNOQ-UHFFFAOYSA-N 459.552 6.267 50 10 JKGE CCc1nn(Cc2c(F)cccc2Cl)c2c1[C@@H](c1ccc(C(C)(C)C)cc1)C(C#N)=C(N)O2 1865682867 ZDEHAYLRPRXUGQ-QFIPXVFZSA-N 464.972 5.802 50 10 JKGE CCCCCOc1ccc([C@@H]2C(C#N)=C(N)Oc3c2c(CC)nn3-c2ccc(Cl)c(Cl)c2)cc1 1865694351 WXDAPUBBAWKESH-HSZRJFAPSA-N 497.426 6.529 50 10 JKGE CCCCCCOc1ccc([C@@H]2C(C#N)=C(N)Oc3c2c(CC)nn3-c2ccccn2)cc1OC 1865695350 BTCWPEMDBRCURS-XMMPIXPASA-N 473.577 5.016 50 10 JKGE CCCCOc1ccc([C@@H]2C(C#N)=C(N)Oc3c2c(CCC)nn3-c2ccccc2)cc1OC 1865696922 LJZIORBSMVDPST-XMMPIXPASA-N 458.562 5.230 50 10 JKGE CCCCOc1ccc([C@H]2C(C#N)=C(N)Oc3c2c(CC)nn3-c2cccc3ccccc23)cc1OC 1865697107 NJXXESAYSHYSRG-MHZLTWQESA-N 494.595 5.994 50 10 JKGE CCCc1nn(-c2ccc(Br)cc2)c2c1[C@H](c1ccc(F)cc1F)C(C#N)=C(N)O2 1865701779 FDAWNIJAZGXRBJ-LJQANCHMSA-N 471.305 5.084 50 10 JKGE Cc1nn(-c2cccc(Cl)c2)c2c1[C@@H](c1ccc(OC(=O)c3ccccc3)cc1)C(C#N)=C(N)O2 1865704754 CZVWKVPJWZIJLY-DEOSSOPVSA-N 482.927 5.272 50 10 JKGE CCN(Cc1ccccc1)c1ccc([C@H]2C(C#N)=C(N)Oc3c2c(C)nn3Cc2ccc(C)cc2)cc1 1865707041 MJOHHNOKAPNPHO-LJAQVGFWSA-N 489.623 5.793 50 10 JKGE CCC[C@@H](NC(=O)Cc1nc(-c2ccccc2Cl)oc1C)C(=O)Nc1ccc(SC#N)cc1 1866661185 PVZLALUTXYADSF-HXUWFJFHSA-N 482.993 5.343 50 10 JKGE CC(C)(C)CN1CCN(c2cc(Nc3ccc(SC#N)cc3)nc(-c3ccccc3)n2)CC1 1868365716 VGVYNFFIDGMBPS-UHFFFAOYSA-N 458.635 5.628 50 10 JKGE COc1ccc(/C=C/C(O)=C(\C#N)c2nc(-c3ccc(Br)cc3)cs2)c(OC)c1 1872746421 HCYXODLXDGVXJY-ODDWYLSESA-N 469.360 6.096 50 10 JKGE N#C/C(=C(/O)c1ccc2c(c1)C(=O)N(Cc1ccccn1)C2=O)c1nc(-c2ccc(Cl)cc2)cs1 1872748071 HERNCKASCFGVDA-LNVKXUELSA-N 498.951 5.605 50 10 JKGE N#C/C(=C(/O)CCCN1C(=O)c2cccc([N+](=O)[O-])c2C1=O)c1nc(-c2ccc(Cl)cc2)cs1 1872748114 IZWXVUZGYCFFCH-MNDPQUGUSA-N 494.916 5.241 50 10 JKGE CCCOc1ccc(-c2csc(/C(C#N)=C/c3ccc(O)c(OC)c3)n2)cc1OCCC 1872790212 SBDATSBSGRHEKR-XDHOZWIPSA-N 450.560 6.166 50 10 JKGE C[C@](CI)(OCCOCc1ccccc1)c1ccccc1Br 1910493182 GPKVMHVOSBIGRH-GOSISDBHSA-N 475.164 5.333 50 10 JKGE C[C@@H](CCl)N(Cc1ccccc1)S(=O)(=O)c1c(Cl)cc(Br)cc1Cl 1914348748 QUULFRIWQRMYQA-NSHDSACASA-N 471.631 5.574 50 10 JKGE CC(C)[C@@H](CBr)N(Cc1ccccc1)C(=O)Cc1ccc(Br)cc1 1915292860 FUIOPKHVILKFES-LJQANCHMSA-N 453.218 5.440 50 10 JKGE Brc1cc(Br)c([C@H](Br)[C@@H]2C[C@H]2c2ccccc2)s1 1922943032 UCCAUYTVJXZUED-OPQQBVKSSA-N 451.021 6.513 50 10 JKGE CCCCCCCCC[C@H](Cl)c1c(Br)sc(Br)c1Cl 1923066341 OONDVBGTRRGHPF-JTQLQIEISA-N 451.095 8.347 50 10 JKGE CC[C@]1([C@@H](Br)c2c(Br)sc(Br)c2Cl)CCCO1 1923067708 HKBNEWIQBFGESE-GZMMTYOYSA-N 467.448 6.322 50 10 JKGE CCCC1([C@H](Br)c2c(Br)sc(Br)c2Cl)CC1 1923068907 YPOQTJDDCUICJE-MRVPVSSYSA-N 451.449 6.943 50 10 JKGE COc1ccc(Br)cc1[C@@H](Br)[C@@H](C)c1ccncc1Br 1924039530 JPQFSUSBGKXUCS-VFZGTOFNSA-N 463.995 5.855 50 10 JKGE Cc1ccc([C@H](Cl)c2c(Br)sc(Br)c2Br)cc1F 1924585796 QGFJSRVWRHFVNP-JTQLQIEISA-N 477.418 6.811 50 10 JKGE Cc1cc(Br)c([C@H](Cl)c2cc(Br)sn2)cc1Br 2007643805 LVVPXFZHSARUOV-NSHDSACASA-N 460.416 6.067 50 10 JKGE Cc1cnc(C(=O)N(Cc2ccccc2)C2(CBr)CCC2)c(Br)c1 2022058745 QJAJBXXLALNLAE-UHFFFAOYSA-N 452.190 5.113 50 10 JKGE CCc1cc(Br)c([C@H](Cl)c2cccc(Br)c2Br)s1 2031482596 UTWWUAWDAHWQAY-GFCCVEGCSA-N 473.455 6.926 50 10 JKGE COc1sc([C@@H](Br)c2ccc(Br)cc2Cl)cc1Br 2034629245 LPSKWOAUYAQTHW-NSHDSACASA-N 475.427 6.419 50 10 JKGE C[C@@H]1CCCN(Cc2cccc(Br)c2Br)[C@@H]1CCBr 2092327956 HHQXUAMXMUXBPN-BXUZGUMPSA-N 454.044 5.597 50 10 JKGE Fc1cc(Br)cc([C@@H](Br)c2cc(C3CC3)c(Br)s2)c1 2094673241 JCTNOYCGIIMDJH-CYBMUJFWSA-N 469.011 6.774 50 10 JKGE Brc1ccc(C[C@@H]2C[C@@H]3CCCC[C@@H]3[C@@H]2Br)c(Br)c1 2095363105 OMFOBISKHIWSHQ-YLUJIRGKSA-N 451.040 6.344 50 10 JKGE Cc1cc(Br)c([C@@H](Br)C2CC3(CCOC3)C2)cc1Br 2095644648 MPVJJGBMKKPLPV-CUMGRINNSA-N 453.012 5.773 50 10 JKGE Cc1sc(Br)c([C@H](Br)c2cc(Br)c(Cl)cc2F)c1C 2101011626 HBYKJVSFAJWACM-GFCCVEGCSA-N 491.445 7.167 50 10 JKGE Clc1cccc([C@@H](CBr)Cc2cc(Br)ccc2Br)c1 2118525123 QNMCRUUBHOFVSU-GFCCVEGCSA-N 467.426 6.586 50 10 JKGE O=C(NCC[C@@H]1CCCC[C@H]1Br)c1scc(Br)c1Br 2123028601 PWSJYWQZJVJKHO-DTWKUNHWSA-N 474.056 5.347 50 10 JKGE Cc1cc(S(=O)(=O)N(Cc2ccccc2)CC2CCCCC2)sc1CBr 2123244230 UDWBVFGJYBLJTN-UHFFFAOYSA-N 456.471 5.723 50 10 JKGE Cc1c(Br)ccc([C@@H](Br)[C@@]23CC[C@@H](C2)[C@@H](C)O3)c1Br 2138847856 BAJSJOHLLVNSDF-ANGCBRKESA-N 453.012 5.914 50 10 JKGE ClCc1ccc(OCc2ccc(I)c(Cl)c2)c(Br)c1 2142944479 BNDAUQFEIHNFDX-UHFFFAOYSA-N 471.947 6.025 50 10 JKGE CC1(C)CC[C@H](CBr)N(Cc2ccc(I)c(Cl)c2)C1 2142949960 NSJDELWUKUOLKB-GFCCVEGCSA-N 456.593 5.330 50 10 JKGE Cc1cc(C)c([C@@H](Cl)Cc2ccccc2I)c(C)c1Br 2143867312 AOOQIHONCAEMHO-AWEZNQCLSA-N 463.584 6.502 50 10 JKGE C[C@@H]1CCCN(C(=O)c2cccc(Br)c2Br)[C@@H]1CCBr 2148751194 OMIKCYFPTOLRGC-ZWNOBZJWSA-N 468.027 5.237 50 10 JKGE Fc1cc(Br)cc(CCl)c1OCc1c(Br)cccc1Br 2150488051 LJVRMHNJWODODW-UHFFFAOYSA-N 487.388 6.431 50 10 JKGE O=C(N[C@@H](CBr)C1CCCCC1)c1c(Br)cccc1Br 2150488796 PRIFVTZLQGRGFP-ZDUSSCGKSA-N 468.027 5.285 50 10 JKGE CN(Cc1cccc(Br)c1)c1c(CBr)ccc(Br)c1Cl 2154370301 ZSDCRIBKYDDUCL-UHFFFAOYSA-N 482.441 6.396 50 10 JKGE Clc1c(Br)sc(Br)c1[C@@H](Cl)Cc1ccc2c(c1)CCO2 2168664033 WQFQMCANYZDQPD-VIFPVBQESA-N 457.014 6.384 50 10 JKGE CC(C)c1ccc([C@](C)(CI)OCCOCCOCc2ccccc2)cc1 2176833777 AZYYMDKAUKTTMG-QHCPKHFHSA-N 482.402 5.710 50 10 JKGE CN(CCCCCn1c(CCl)nc2ccc(F)c(Br)c21)Cc1ccccc1 2184093793 BNNLWZBKJAHPEN-UHFFFAOYSA-N 452.799 5.979 50 10 JKGE Cc1cc(Br)c(C)c([C@H](Br)[C@@H]2C[C@H]3O[C@H]2[C@H]2C[C@@H]23)c1Br 2201064940 LVLHSLCMUWTIJL-QNUWHZNLSA-N 465.023 5.688 50 10 JKGE Cc1cc(Br)ccc1[C@H](Cl)c1c(C)c(Br)cc(C)c1Br 2201075798 DLVZDIPCANMMKS-INIZCTEOSA-N 481.453 7.228 50 10 JKGE COc1c(Br)cc(C)cc1[C@@H](Br)c1ccc(Br)c(C)c1 2203821863 BZSAOFZGDWRWAA-HNNXBMFYSA-N 463.007 6.321 50 10 JKGE COc1c(C)cc(Br)cc1[C@H](Br)c1ccc(Br)cc1C 2206598944 RLZJNYUDKASTMT-OAHLLOKOSA-N 463.007 6.321 50 10 JKGE COc1c(C)cc(Br)cc1[C@H](Br)c1c(C)cccc1Br 2206599025 SCMGEVSCLJSEPR-HNNXBMFYSA-N 463.007 6.321 50 10 JKGE O=C(c1ccc(I)c(Cl)c1)N1CCCC[C@@H]1CCCBr 2206675780 WMDNGLCIXQFPMF-GFCCVEGCSA-N 470.576 5.114 50 10 JKGE Cc1cc(Br)c([C@@H](Br)c2cscc2Cl)c(C)c1Br 2220158558 WUDXCKCXNGSSCW-ZDUSSCGKSA-N 473.455 7.028 50 10 JKGE Cc1cc([C@@H](Br)c2ccc(C)c(I)c2)c(Cl)cc1F 2224621553 FPVDAWLSAYGKGW-HNNXBMFYSA-N 453.520 6.185 50 10 JKGE Cc1cc(Br)c([C@H](Br)CC[C@H]2CC2(C)C)c(C)c1Br 2227361725 GTKXCMJQYOYVHI-NWDGAFQWSA-N 453.056 7.091 50 10 JKGE Clc1cc(Br)c([C@H](Br)c2c(Cl)cccc2Cl)c(Cl)c1Cl 2232515087 YOUDLINVEZZFRX-NSHDSACASA-N 498.256 8.200 50 10 JKGE Cc1c(Br)sc([C@@H](Br)c2cc(Br)co2)c1Br 2244211911 ZZBCFJLYPZACCR-QMMMGPOBSA-N 493.840 6.421 50 10 JKGE Cl[C@H](Cc1cc(Br)cc(Br)c1)c1sncc1Br 2252839231 NSRWLSJUDASRGO-SNVBAGLBSA-N 460.416 5.953 50 10 JKGE Clc1cc([C@H](Br)c2cocc2Br)c(Cl)c(Cl)c1Cl 2258117264 KRIGLMXVQURPMI-QMMMGPOBSA-N 453.772 7.140 50 10 JKGE COc1ccsc1[C@H](Br)Cc1cc(Br)cc(Br)c1 2263515397 NUBHHLGYQBDVSW-LLVKDONJSA-N 455.009 5.960 50 10 JKGE Fc1cc(Br)c(F)c(Br)c1[C@H](Br)[C@@H]1CCCC1(F)F 2272741046 SRFYDRXFYHLVOX-SSDLBLMSSA-N 468.908 6.361 50 10 JKGE Cc1cccc([C@H](Br)c2c(F)cc(Br)c(F)c2Br)c1 2272849579 JXYIKXKYVVRIMM-LBPRGKRZSA-N 454.934 6.283 50 10 JKGE COc1ccc([C@@H](Cl)c2ccc(Cl)c(I)c2)c(Cl)c1Cl 2283569125 WGNICZRGSGFVCD-LBPRGKRZSA-N 461.941 6.588 50 10 JKGE C[C@H]1COc2ccc([C@H](Br)c3ccc(Cl)c(I)c3)cc21 2283575981 AOQAAELGOVAXBE-FVMDXXJSSA-N 463.540 5.925 50 10 JKGE C[C@H]1OC2(C)CC1([C@H](Br)c1c(F)cc(Br)c(F)c1Br)C2 2288344827 OEEWHDOPBKLWOS-HJVQQPMZSA-N 474.965 5.883 50 10 JKGE CC1(C)[C@@H]2CC([C@@H](Br)c3c(F)cc(Br)c(F)c3Br)C[C@H]21 2288373087 FJFKXPOKTJZIPA-DNSOKLHBSA-N 472.993 6.608 50 10 JKGE CCCCCCOc1ccc(OCCOc2ccccc2C=C(C#N)C(=O)Nc2ccccc2)cc1 2293556372 SUTADVCJYKSTBM-UHFFFAOYSA-N 484.596 6.649 50 10 JKGE Cc1ccc(S(=O)(=O)Oc2cccc(C=C(C#N)C(=O)Nc3cccc4ccccc34)c2)cc1 2295172634 OICWZBRNDCAOAM-UHFFFAOYSA-N 468.534 5.462 50 10 JKGE N#CC(=Cc1ccc(Cl)cc1Cl)C(=O)Nc1ncc(Cc2ccc(Br)cc2)s1 2296833300 VICXHQAOPDYICC-UHFFFAOYSA-N 493.213 6.349 50 10 JKGE Cc1cc(Oc2nc3c(C)cccn3c(=O)c2C=C(C#N)C(=O)NCCc2ccccc2)ccc1Cl 2296846360 FOVZFOXWIKYLPF-UHFFFAOYSA-N 498.970 5.023 50 10 JKGE Cc1cc(C=C(C#N)C(=O)Nc2ccc(Cl)cc2)c(C)n1-c1ccc(-c2ccccc2)cc1 2297624437 JXSXJLGUTSGTLI-UHFFFAOYSA-N 451.957 6.960 50 10 JKGE CCN[C@H](c1ccc(OCc2ccccc2)cc1Br)[C@H]1C[C@H](Br)C1 2299496072 NCBCDVJDONGJKH-FTRWYGJKSA-N 453.218 5.852 50 10 JKGE CC[C@@]1([C@@H](Br)c2cc(Br)ccc2OCc2ccccc2)CCCO1 2299503781 INKHFZDXDQFAAE-PMACEKPBSA-N 454.202 6.423 50 10 JKGE C[C@@H](C1CCCC1)[C@H](Br)c1cc(Br)ccc1OCc1ccccc1 2299531677 YENISXAGQLLFQC-BTYIYWSLSA-N 452.230 7.290 50 10 JKGE COc1cc(C=C(C#N)C(=O)N2CCN(c3ccccc3)CC2)ccc1OCc1ccccc1Cl 2313545956 RRVSMAPDNYGIKX-UHFFFAOYSA-N 487.987 5.183 50 10 JKGE Fc1cccc(F)c1[C@@H](Br)c1ccc(OCc2ccccc2)cc1Br 2314449436 QDBBZRGHDZVASH-FQEVSTJZSA-N 468.135 6.791 50 10 JKGE COC[C@@]1([C@H](Br)c2cc(Br)ccc2OCc2ccccc2)CCCO1 2314451330 DMQKVCPSEHPQNJ-WOJBJXKFSA-N 470.201 5.660 50 10 JKGE Cc1c(Cl)sc(Cl)c1[C@H](Cl)c1ccc(I)c(Br)c1 2314517714 KZXHBQQGADNXJK-SNVBAGLBSA-N 496.422 7.059 50 10 JKGE Cc1cccc(NC(=O)C(C#N)=C2S[C@H](Cc3ccc(C)c(C)c3)C(=O)N2c2ccc(C)c(C)c2)c1 2314592307 QKWXVSTTXVHVIX-HHHXNRCGSA-N 495.648 6.294 50 10 JKGE CCCCCCOc1ccc(C=C2C(=O)N(Cc3ccccc3Cl)C(=O)C(C#N)=C2C)cc1OC 2314620358 OCFNUFBXFKBAJK-UHFFFAOYSA-N 493.003 6.100 50 10 JKGE CCOC(=O)c1c(NC(=O)C(C#N)=Cc2ccccc2)sc(C)c1-c1ccc([N+](=O)[O-])cc1 2314754528 UTRJRUWUVAEYLF-UHFFFAOYSA-N 461.499 5.354 50 10 JKGE Brc1ccc(OCc2ccccc2)c([C@H](Br)C[C@@H]2CC[C@@H]2C2CC2)c1 2319482683 JGPLOAIJFHPEMO-FBBABVLZSA-N 464.241 7.290 50 10 JKGE O=C(Cc1ccccc1)NN=Cc1ccc(N2N=C(c3ccccc3)C[C@@H]2c2ccccc2)cc1 2323330365 MXEXGBGWTOXZAH-GDLZYMKVSA-N 458.565 5.735 50 10 JKGE Cc1cc(OCCCC(O)=C(C#N)c2nc(-c3cccc([N+](=O)[O-])c3)cs2)cc(C)c1Cl 2331234993 CDGQLFNVKRMDPX-UHFFFAOYSA-N 469.950 6.640 50 10 JKGE N#CC(=C(O)Cc1ccc(OCc2ccccc2)cc1)c1nc(-c2cccc(Cl)c2)cs1 2331293688 QBXKIMWYIWJWCY-UHFFFAOYSA-N 458.970 7.078 50 10 JKGE CC(C)C[C@@H](C(O)=C(C#N)c1nc(-c2cccc(Cl)c2)cs1)N1C(=O)c2ccccc2C1=O 2331293871 MQGMYOODKRLMKD-NRFANRHFSA-N 477.973 5.967 50 10 JKGE N#CC(=C(O)c1ccc(N2CCCC2)c([N+](=O)[O-])c1)c1nc(-c2ccc3c(c2)OCCO3)cs1 2331330909 LVBCCPQJNBQSSM-UHFFFAOYSA-N 476.514 5.040 50 10 JKGE CCOc1ccc(CCC(O)=C(C#N)c2nc(-c3ccc(OC)c(C)c3C)cs2)cc1OC 2331362952 XJJMURJLVPXCPZ-UHFFFAOYSA-N 464.587 6.268 50 10 JKGE COc1ccc(C=C(C(O)=C(C#N)c2nc(-c3ccc(C)c(C)c3)cs2)c2ccccc2)cc1 2331382694 VYMPIDWQMFBBGB-UHFFFAOYSA-N 464.590 7.469 50 10 JKGE COc1cc(C=C(C#N)c2nc(-c3ccc(C)cc3)cs2)ccc1OCCc1ccccc1 2331444071 IIDRSRYWYDZBAX-UHFFFAOYSA-N 452.579 6.813 50 10 JKGE Fc1cc(Cl)c(Br)c(Cl)c1[C@H](Cl)c1cc(Br)c(Cl)s1 2335355999 MDPVMKLSTGMJAB-SECBINFHSA-N 487.830 7.701 50 10 JKGE Clc1ccc(C[C@@H](Cl)c2ccc(OCc3ccccc3)cc2Br)cc1Cl 2336050474 KVWPPJZBIKXXJV-HXUWFJFHSA-N 470.621 7.858 50 10 JKGE Fc1c(Br)cc(Cl)c([C@H](Br)[C@@H]2CCC(F)(F)C2)c1Br 2337088725 PGKRLLRDSHIQEU-MLUIRONXSA-N 485.363 6.876 50 10 JKGE CCCC[C@@H](CC)[C@@H](Br)c1c(Cl)cc(Br)c(F)c1Br 2337092987 ZBIISPFLHDOTLU-PRHODGIISA-N 479.453 7.657 50 10 JKGE Fc1c(Br)cc(Cl)c([C@@H](Br)[C@@H]2CCC23CCC3)c1Br 2337095005 VMWAZYUYBFHGTH-CPCISQLKSA-N 475.421 7.020 50 10 JKGE C[C@@H](CBr)[C@@H]1CCCCN1Cc1ccc(Cl)c(I)c1 2337224052 URIFFSGXCPVGFO-NHYWBVRUSA-N 456.593 5.330 50 10 JKGE CCCc1sc(Br)cc1[C@H](Br)c1c(F)cccc1Br 2338024615 WMXKWWSQVMWIRN-AWEZNQCLSA-N 471.027 6.849 50 10 JKGE Clc1cc(Cl)cc(CC[C@@H](Br)c2cccc(I)c2)c1 2341181142 RXCJADXKMZZPNE-OAHLLOKOSA-N 469.975 6.667 50 10 JKGE CC(C)(C)[C@@H]1CC[C@H]1[C@@H](Br)c1cc(Br)c(Br)cc1F 2343236078 RTBKJDPLSJQSSB-PJCOJXEDSA-N 457.019 6.859 50 10 JKGE C[C@H](c1ccncc1F)[C@H](Br)c1ccc(Cl)c(I)c1 2344715114 YOKPKPMRLDXKQN-CLAHSXSESA-N 454.508 5.718 50 10 JKGE C[C@@H](Cl)c1ccccc1NCc1ccc(I)c(Br)c1 2349829048 NENNNDVUTMIHCB-SNVBAGLBSA-N 450.545 5.966 50 10 JKGE CC(C)[C@@H]1CC[C@@H](Br)[C@H](Cc2cc(I)ccc2Cl)C1 2352440600 GENJKOKTOBTUIA-TYNCELHUSA-N 455.605 6.323 50 10 JKGE CS(=O)(=O)c1cccc([C@@H](Cl)c2cc(Br)ccc2OCc2ccccc2)c1 2361179553 WWDCXTDPVHLMEN-OAQYLSRUSA-N 465.796 5.760 50 10 JKGE Fc1c(Br)cc(Cl)c([C@H](Br)[C@@H]2C[C@H]3C[C@H]2[C@H]2C[C@H]23)c1Br 2362252238 DSFZJVKRJDYBAK-UMCLFIRUSA-N 487.432 6.732 50 10 JKGE COCC12CCC([C@@H](Br)c3sc(Cl)cc3I)(CC1)CO2 2364116424 HINSBCXNNVATNH-HSBZDZAISA-N 491.616 5.418 50 10 JKGE COc1c(Br)cc(C)c([C@H](Cl)c2nn(C)cc2Br)c1Br 2365226114 QMMJKVMLWWPUHB-NSHDSACASA-N 487.417 5.353 50 10 JKGE Cc1c(Br)csc1[C@@H](Br)c1cc2c(cc1Br)OCCC2 2369621333 LYGQHJDEJJSDBL-AWEZNQCLSA-N 481.047 6.391 50 10 JKGE N#C/C(C(=O)Nc1ccc(F)cc1)=C1\S[C@@H](Cc2ccc(Cl)cc2)C(=O)N1c1ccccc1 2233903 FXUZWMRYKPTCJO-SCIJIFGBSA-N 477.948 5.544 50 10 JKGE COc1ccccc1[C@H]1C(C#N)=C2N=C(N)c3ccccc3N2C2=C1C(=O)C[C@H](c1ccccc1)C2 3654389 WDMRADXDALLKPM-WINIVTDRSA-N 472.548 5.154 50 10 JKGE CC(C)COc1ccc(C(=O)NNC(=O)c2sc3ccccc3c2Cl)cc1Br 14652948 NLEFGSKUKWBTCD-UHFFFAOYSA-N 481.799 5.427 50 10 JKGE CCOc1cc(C(=O)Oc2ccc(/C=C(/C#N)c3cccc(Cl)c3)cc2)cc(OCC)c1OCC 31901525 NFCMBBNHALKZJY-HMAPJEAMSA-N 491.971 6.819 50 10 JKGE Cc1ccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)COc4ccc(C(C)(C)C)cc4)ccc32)cc1 38649253 RODSIFQPRXLEMR-MHZLTWQESA-N 468.553 5.495 50 10 JKGE CCCCOc1ccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)COc4ccc(C)c(C)c4)ccc32)cc1 38650846 YRLUNHZEZWLICK-LJAQVGFWSA-N 498.579 5.685 50 10 JKGE Cc1cccc(OCC(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@H]3c2ccc(Cl)cc2)c1C 38651394 LHQNCKBNWBSQIJ-VWLOTQADSA-N 460.917 5.159 50 10 JKGE COc1ccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4ccc(C(C)(C)C)cc4)ccc32)c(OC)c1 38656736 QLJLUPMZWCYZMP-AREMUKBSSA-N 484.552 5.439 50 10 JKGE CCOc1ccc(C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@H]3c2cccc3ccccc23)cc1 38657752 KLCPQVRVIKMPGK-MHZLTWQESA-N 462.505 5.676 50 10 JKGE CCOc1ccccc1[C@H]1C(C#N)=C(N)Oc2cc(OC(=O)c3oc4ccc(C)cc4c3C)ccc21 38687479 PHMIMPRHCQEBPJ-AREMUKBSSA-N 480.520 5.886 50 10 JKGE Cc1c(C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@H]3c2ccccc2F)oc2ccc(F)cc12 38687989 SVIXZOIHLHWBNR-QHCPKHFHSA-N 458.420 5.457 50 10 JKGE Cc1c(C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@H]3c2cccc(F)c2)oc2ccc(Cl)cc12 38700495 KFRNMXQVGAGKHS-QHCPKHFHSA-N 474.875 5.971 50 10 JKGE CCCCC1CCC(C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@H]3c2cccc(OCCC)c2)CC1 38701036 YRIPTTKKBMZSLP-ZAFMFWTISA-N 488.628 6.596 50 10 JKGE CCc1ccc(Oc2nc3c(C)cccn3c(=O)c2/C=C(/C#N)C(=O)Nc2ccc(C)c(C)c2)cc1 39858662 DCNDCLJSPNHQGE-JWGURIENSA-N 478.552 5.520 50 10 JKGE O=C(CCCc1c(-c2ccc3ccccc3n2)[nH]c2ccccc12)NN(c1ccccc1)c1ccccc1 39867112 NNQQVNRVQWTEQQ-UHFFFAOYSA-N 496.614 7.575 50 10 JKGE Cc1c(C(=O)Oc2ccc3ccccc3c2)oc2c1/C(=N/NC(=O)c1ccc(F)cc1)CCC2 40811883 NZBQETZGZRTIPA-QUPMIFSKSA-N 456.473 5.570 50 10 JKGE N#C/C(=C/c1cc(Br)ccc1OCc1ccccc1)C(=O)NCCc1ccccc1 40889457 LGTWGCIJDFNLSB-JCMHNJIXSA-N 461.359 5.294 50 10 JKGE COc1cc(/C=C(/C#N)C(=O)Nc2ccc(Cl)c(Cl)c2)ccc1OCc1ccccc1Cl 59117511 BAPWAYMCYOCOIR-YVLHZVERSA-N 487.770 6.780 50 10 JKGE COc1cc(/C=N/NC(=O)c2cc3ccccc3o2)cc(Br)c1OCc1cccc(F)c1 59305502 SHZYWNKHIYSQAN-UVHMKAGCSA-N 497.320 5.686 50 10 JKGE Fc1cc([C@H](Br)c2cccc(I)c2)c(F)cc1Br 70474496 BBNDKVPLBRTBBZ-CYBMUJFWSA-N 487.907 5.816 50 10 JKGE COC(=O)c1cc(C(C)C)sc1NC(=O)/C(C#N)=C\c1cn(Cc2ccccc2C)c2ccccc12 96504437 ORZBJKOSVDWBPE-BKUYFWCQSA-N 497.620 6.515 50 10 JKGE CCOc1cc(/C=C(\C#N)C(=O)NCc2ccccc2)ccc1OCc1ccc2ccccc2c1 96585853 SNSLXNSJKOTWSJ-JVWAILMASA-N 462.549 6.041 50 10 JKGE Cc1cc(C)cc(N/C=C(\C#N)c2nc(-c3cc4cc(Br)ccc4oc3=O)cs2)c1 100132636 ZKJGLOXZKCQLIM-LFIBNONCSA-N 478.371 6.272 50 10 JKGE CC(C)c1ccc(N2C(=O)[C@H](Cc3ccccc3)S/C2=C(/C#N)C(=O)NCc2ccco2)cc1 101242123 AFRBVRJMVJEFCV-FYAMCCBRSA-N 471.582 5.146 50 10 JKGE Cc1ccc(N2C(=O)[C@H](Cc3ccc(F)cc3)S/C2=C(/C#N)C(=O)N[C@@H](C)c2ccccc2)cc1C 101244133 ZMHVFVKPVCFDSQ-OSNVHYDOSA-N 499.611 5.746 50 10 JKGE Cc1ccc(N/C=C(\C#N)c2nc(-c3cc4c(ccc5ccccc54)oc3=O)cs2)cc1Cl 102405601 UZMKJPAMEPATAX-GHRIWEEISA-N 469.953 7.008 50 10 JKGE Fc1ccc([C@@H](Br)c2cc(Br)sc2Br)c(Cl)c1 104040395 MSHXIELKIRPMKT-SNVBAGLBSA-N 463.391 6.550 50 10 JKGE N#C/C(=C/c1c(OCc2cccc3ccccc23)ccc2ccccc12)C(=O)Nc1cccc(Cl)c1 108512171 OBEURNKPJDTTJL-ULJHMMPZSA-N 488.974 7.771 50 10 JKGE BrC[C@H](CCOc1cccc(Br)c1)c1ccc(Br)cc1 118851590 XWTQBHOGDAEBOZ-ZDUSSCGKSA-N 463.007 6.159 50 10 JKGE CCCOc1c(Br)cc(/C=C(/C#N)c2nc3ccccc3n2CC)cc1OCC 169939632 OWECHMUBWBVGJC-ATVHPVEESA-N 454.368 6.070 50 10 JKGE O=[N+]([O-])c1cc(Br)c(Oc2ccc(CBr)cn2)c(Br)c1 218282477 VIBQBKXPFFIOEE-UHFFFAOYSA-N 466.911 5.202 50 10 JKGE COc1ccc([C@@H](Cl)c2cc(Br)ccc2I)c(Cl)c1 234975238 SRPXBSLKKMCBOU-CQSZACIVSA-N 471.947 6.044 50 10 JKGE Cc1cc([C@@H](Br)c2cc(Br)sc2Br)c(Cl)cc1F 235862570 LRZAZJNNWDBHHO-LLVKDONJSA-N 477.418 6.858 50 10 JKGE Cc1cc(C(=O)NN=Cc2ccccc2OCc2cccc(Br)c2)c2ccccc2n1 245225834 SAHGZYJJPMBSSS-UHFFFAOYSA-N 474.358 5.649 50 10 JKGE CC(=NNC(=O)c1ccoc1C)c1ccc(NC(=O)[C@H](C)Oc2ccc(Cl)cc2C)cc1 254354876 XSKXOQBMPNTEPZ-KRWDZBQOSA-N 453.926 5.110 50 10 JKGE C[C@@H]1CCC[C@@H](CO[C@]2(CI)CCCN(C(=O)OC(C)(C)C)C2)C1 304193256 WBICWRYYZIAACA-MDZRGWNJSA-N 451.389 5.034 50 10 JKGE ClCc1nc2cc(I)ccc2n1CCCOCCOCc1ccccc1 390402261 AGJIEVRZCZNAHM-UHFFFAOYSA-N 484.765 5.003 50 10 JKGE Fc1cc([C@H](Br)c2c(Br)cc(F)c(F)c2F)ccc1Br 398651934 BTVBQHCUBHCPOZ-NSHDSACASA-N 476.887 6.252 50 10 JKGE FC(F)(Cl)CCOc1c(Br)cc(CBr)cc1Br 402022690 SJNOIBONUGHSMN-UHFFFAOYSA-N 457.334 5.707 50 10 JKGE Clc1sc([C@H](Br)c2nscc2Br)cc1Br 404722930 VXICYDFNHPXNSS-LURJTMIESA-N 452.418 5.867 50 10 JKGE Fc1cccc(C[C@H](CBr)Cc2cc(Cl)ccc2I)c1 405518372 IEGLCQZSJHAFBD-LBPRGKRZSA-N 467.547 5.880 50 10 JKGE COc1ccccc1C[C@H](Cl)c1ccc(I)c(Br)c1 721573391 RGIZHYWVEYKYER-ZDUSSCGKSA-N 451.529 5.585 50 10 JKGE Cc1cccc(C)c1-n1c(C)c(Br)c(C=NNC(=O)[C@H](C)Sc2ccccc2)c1C 725422658 UBTHULMWRUBMEP-IBGZPJMESA-N 484.463 6.104 50 10 JKGE Cc1cc(C=NNC(=O)C(=O)Nc2ccc(C(C)C)cc2)c(C)n1-c1cccc(Cl)c1Cl 1083906144 WNROHQUJELMFPJ-UHFFFAOYSA-N 471.388 5.613 50 10 JKGE O=C(CCSc1nc(-c2ccccc2)c(-c2ccccc2)[nH]1)NN=Cc1ccc(Cl)cc1 1084127860 XBZGOIJVGZVREX-UHFFFAOYSA-N 460.990 6.030 50 10 JKGE Cc1ccc(N(CC(=O)NN=Cc2cccc3ccccc23)S(=O)(=O)c2ccc(Cl)cc2)cc1 1084169825 BHEHTKADOBSUKK-UHFFFAOYSA-N 492.000 5.147 50 10 JKGE O=C(NN=C(/C=C\c1ccccc1)/C=C\c1ccccc1)c1ccccc1I 1084287839 MMNVCWNPVBTWMJ-IQRFGFHNSA-N 478.333 5.804 50 10 JKGE O=C(CSc1nc2ccccc2o1)NN=Cc1ccccc1OCc1ccc(Cl)cc1 1084485273 DKHMGQZZKJAZQK-UHFFFAOYSA-N 451.935 5.303 50 10 JKGE Cc1c(C(=O)Oc2ccc3ccccc3c2)oc2c1C(=NNC(=O)c1ccc(O)cc1)CCC2 1772745025 OUDPHYVDGYVBML-UHFFFAOYSA-N 454.482 5.136 50 10 JKGE N#CC1=C(N)Oc2c(c(-c3ccccc3)nn2Cc2ccc(Cl)cc2)[C@@H]1c1ccccc1F 1865683292 IHOOGBDUJPTSGA-JOCHJYFZSA-N 456.908 5.609 50 10 JKGE CCCCOc1ccc([C@@H]2C(C#N)=C(N)Oc3c2c(CC)nn3Cc2cccc(F)c2)cc1OCC 1865686938 FPTIJEMCPKLYJL-RUZDIDTESA-N 490.579 5.429 50 10 JKGE C=CCOc1ccccc1[C@@H]1C(C#N)=C(N)Oc2c1c(-c1ccccc1)nn2Cc1cccc(Cl)c1 1865690970 GGSMQVMHLWSRSJ-RUZDIDTESA-N 494.982 6.035 50 10 JKGE CCCCCCOc1ccc([C@H]2C(C#N)=C(N)Oc3c2c(CC)nn3-c2ccccc2)cc1OC 1865697101 XEUNTKVVSZTHNT-VWLOTQADSA-N 472.589 5.621 50 10 JKGE COC(=O)c1ccc([C@@H]2C(C#N)=C(N)Oc3c2c(-c2ccccc2)nn3Cc2ccc(Cl)cc2)cc1 1865709200 QZERPMSTTYJVTP-HSZRJFAPSA-N 496.954 5.257 50 10 JKGE CCCc1nn(Cc2ccc(C)cc2)c2c1[C@@H](c1ccc(C(F)(F)F)cc1)C(C#N)=C(N)O2 1865710604 CLVZYIDDNSLITJ-NRFANRHFSA-N 452.480 5.429 50 10 JKGE CCCc1nn(Cc2ccc(F)cc2)c2c1[C@@H](c1cccc(OCc3ccccc3)c1)C(C#N)=C(N)O2 1865712255 UBYXLEUTSOQBEU-MHZLTWQESA-N 494.570 5.820 50 10 JKGE CCCc1nc(Nc2ccc(SC#N)cc2)cc(N2CCN(c3ccccc3NC(C)=O)CC2)n1 1868389195 RLUPXXFIBPWLIN-UHFFFAOYSA-N 487.633 5.031 50 10 JKGE O=C1/C(=C/c2ccc(Br)cc2)Oc2cc(OCc3ccc(CCl)cc3)ccc21 1871436767 OYPXZZIUCSLZMN-JJFYIABZSA-N 455.735 6.383 50 10 JKGE CCCCc1ccc(-c2csc(/C(C#N)=C(\O)c3c(Cl)ccc(Cl)c3OC)n2)cc1 1872744658 BTUXIBPUCXMZLS-PGMHBOJBSA-N 459.398 7.418 50 10 JKGE Cc1ccc(-c2csc(/C(C#N)=C(\O)c3ccc4c(c3)C(=O)N(c3ccc(F)cc3)C4=O)n2)c(C)c1 1872749047 ZDUDFRWARBSINI-BZZOAKBMSA-N 495.535 6.317 50 10 JKGE N#C/C(=C(/O)CCCCCN1C(=O)c2cccc([N+](=O)[O-])c2C1=O)c1nc(-c2cccs2)cs1 1872750592 MFPZBOSSAREAFC-SDXDJHTJSA-N 494.554 5.429 50 10 JKGE COc1ccc(C(C)(C)C)cc1-c1csc(/C(C#N)=C(\O)c2ccc(Cl)c(Cl)c2)n1 1872751526 LWLBIRNKTKYVSO-PGMHBOJBSA-N 459.398 7.373 50 10 JKGE CC[C@H](C)N1C(=O)c2ccc(/C(O)=C(\C#N)c3nc(-c4ccc(OC)c(C)c4C)cs3)cc2C1=O 1872753620 GNAZUKRZQDUXFA-CQEAMPFXSA-N 487.581 5.780 50 10 JKGE COc1c(Cl)cc(Cl)cc1-c1csc(/C(C#N)=C(\O)[C@H]2CC(=O)N(C(C)(C)C)C2)n1 1872754558 YROGNUCWFLLYGI-WMEZLHQCSA-N 466.390 5.565 50 10 JKGE CCCOc1ccc(-c2csc(/C(C#N)=C/c3ccc4c(c3)OCCO4)n2)cc1OCCC 1872790140 NIMINMCCHNCTOJ-DEDYPNTBSA-N 462.571 6.223 50 10 JKGE BrC[C@H](C1CC1)N(Cc1ccccc1)c1ccnc2cc(Br)cnc12 1915187717 DSZVFWFWZSFTBR-LJQANCHMSA-N 461.201 5.572 50 10 JKGE Cc1c(Cl)cccc1[C@H](Br)c1c(Br)sc(Br)c1Cl 1923054225 BXJJCIGEHZZRQM-VIFPVBQESA-N 493.873 7.373 50 10 JKGE C[C@@H]1CCC[C@H]([C@@H](Br)c2c(Br)sc(Br)c2Cl)C1 1923074267 JHOHOTRYNDWRDO-BKPPORCPSA-N 465.476 7.189 50 10 JKGE CC[C@H](CC(F)(F)F)[C@@H](Cl)c1c(Br)sc(Br)c1Br 1924604918 JZWLFJNERRVZNP-CLZZGJSISA-N 493.408 7.294 50 10 JKGE CS(=O)(=O)c1ccc([C@@H](Br)c2c(Cl)sc(Br)c2Cl)cc1 1925601100 UVLNQEZFCCDLBY-SECBINFHSA-N 479.042 5.705 50 10 JKGE C[C@@H]1COc2ccc([C@H](Br)c3c(Br)cccc3Br)cc21 1925685440 GUQLVKKFBBHIDZ-ABKXIKBNSA-N 460.991 6.192 50 10 JKGE O=C(c1c(Br)c(Br)cc(Br)c1Br)[C@@H]1C[C@@H]1Cl 1995046862 IXIXPWCXGDSEJU-CVYQJGLWSA-N 496.218 5.547 50 10 JKGE Cc1c([C@H](Cl)c2cc(Br)c(Br)s2)c(Br)nn1C 2014559864 GMVPJSMIBCJCIR-MRVPVSSYSA-N 463.420 5.406 50 10 JKGE Cc1c(Br)ccc([C@H](Cl)c2sncc2Br)c1Br 2024293043 FPCJEECDKVKUIZ-JTQLQIEISA-N 460.416 6.067 50 10 JKGE CCc1cc(Br)c([C@@H](Br)c2ccc(Br)cc2F)s1 2029232529 JNVQBEOWGACXCE-LBPRGKRZSA-N 457.000 6.459 50 10 JKGE CC(C)(C)[C@H](CBr)CNC(=O)c1scc(Br)c1Br 2029725659 YIQPDFTZZZSWBO-SSDOTTSWSA-N 462.045 5.060 50 10 JKGE Brc1ccsc1[C@H](Br)c1cc(Br)c2c(c1)CCO2 2030023930 ZEQIRJPFSZNUJX-LLVKDONJSA-N 452.993 5.692 50 10 JKGE Brc1cnsc1[C@H](Br)c1cc(Br)c2c(c1)CCO2 2030025465 RJVGAQZRWKJTQD-SNVBAGLBSA-N 453.981 5.087 50 10 JKGE Brc1cc([C@@H](Br)c2ccc(C3CC3)cc2)c(Br)s1 2036362024 GIGQQDAOZOPXHM-ZDUSSCGKSA-N 451.021 6.635 50 10 JKGE COc1cc(C=C(C#N)c2nc(-c3ccc(C)cc3)no2)ccc1OCc1cccc(C(F)(F)F)c1 2040448510 XRFHLKOIZINXDN-UHFFFAOYSA-N 491.469 6.716 50 10 JKGE Cc1c(Br)sc([C@H](Br)C[C@@H]2CCC23CCC3)c1Br 2047941356 BTXWPAXPNCKSDS-VHSXEESVSA-N 457.069 6.988 50 10 JKGE Fc1cccc(Cl)c1[C@H](Br)c1ccc(Br)cc1Br 2083336755 DBXJPXFNZPHDJG-CYBMUJFWSA-N 457.362 6.488 50 10 JKGE Cc1c(Br)ccc([C@H](Br)c2ccccc2Cl)c1Br 2083339184 PVLLEUSMRJSGBO-CQSZACIVSA-N 453.399 6.658 50 10 JKGE ClCc1cc(Br)ccc1OCc1ccc(Br)cc1Br 2092266159 KPADFIDKJAZYGD-UHFFFAOYSA-N 469.398 6.292 50 10 JKGE C[C@@H]1CC[C@@H](CCOc2c(Br)cc(CBr)cc2Br)O1 2104838436 SVBDYDPIQVSFLZ-KOLCDFICSA-N 457.000 5.443 50 10 JKGE C[C@H](c1ccncc1Br)[C@@H](Br)c1nn(C)c(Cl)c1Br 2110717360 HFNHWZBLRFLQFS-HZGVNTEJSA-N 472.406 5.233 50 10 JKGE CCC(C)(C)c1ccc([C@H](Br)c2cc(I)sn2)cc1 2120031171 GTZXPQFAZOSVLO-AWEZNQCLSA-N 450.183 5.920 50 10 JKGE FCCOc1cccc([C@@H](Br)c2sc(Br)cc2Br)c1 2132983697 SHBAQBGXNQVAHY-GFCCVEGCSA-N 472.999 6.106 50 10 JKGE Cc1c(Br)ccc([C@H](Br)c2ccc(F)cc2F)c1Br 2138848648 BKIISUCCVPSDRY-CQSZACIVSA-N 454.934 6.283 50 10 JKGE Cc1c(Br)ccc([C@H](Br)C2(C(F)(F)F)CCC2)c1Br 2138868117 ZTUQIHPDBJWKIJ-NSHDSACASA-N 464.945 6.689 50 10 JKGE COc1cc(F)c(F)cc1[C@H](Br)c1cc(Br)sc1Br 2139627319 GKCJJADLYOHAMS-NSHDSACASA-N 476.962 6.044 50 10 JKGE COc1cc(F)c(F)cc1[C@@H](Br)c1cc(Br)c(Br)s1 2139627589 GTCWJFGZKGIPOZ-LLVKDONJSA-N 476.962 6.044 50 10 JKGE CCn1cc(Br)c(C[C@@H](CBr)Cc2ccccc2Br)n1 2181153996 HRLUEVWIYJXMFQ-NSHDSACASA-N 465.027 5.224 50 10 JKGE C[C@@]1(CC(CBr)(CBr)c2ccc(Br)cc2)CCCOC1 2192686838 KPLIUOXCYPRFIV-HNNXBMFYSA-N 469.055 5.684 50 10 JKGE FC(F)(F)[C@H]1OC2([C@H](Br)c3cc(Br)ccc3Br)CC1C2 2193094455 QXOYVESEQUBZQJ-SNBGMRMPSA-N 478.928 5.758 50 10 JKGE COc1cc(Cl)c([C@@H](Cl)c2ccc(Br)c(Cl)c2)cc1Br 2202348630 ZTGUMJKUVUKUGL-AWEZNQCLSA-N 459.392 6.855 50 10 JKGE Cc1c(Br)ccc([C@H](Br)[C@@H]2CC(C)(C)OC2(C)C)c1Br 2203694168 SKNZDFPWJHIBLX-FZMZJTMJSA-N 469.055 6.550 50 10 JKGE Brc1cccc(CN2CC[C@@H]3CC[C@@H](Br)C[C@H]3C2)c1Br 2204116515 QULHYATVOLMNDM-FPMFFAJLSA-N 466.055 5.597 50 10 JKGE CC(C)Oc1ccc([C@@H](Cl)c2ccc(Br)cc2I)cc1 2207272051 LTDJAMZIPZXQLL-MRXNPFEDSA-N 465.556 6.169 50 10 JKGE Cc1c(Br)csc1[C@H](Br)c1cc(Br)c(Cl)s1 2210636306 VJOOGTYOMDCZDP-MRVPVSSYSA-N 465.457 6.781 50 10 JKGE COc1ccc([C@H](Br)c2sc(Cl)cc2Br)c(Br)c1 2223964252 RDSZRAKRZOWWTB-NSHDSACASA-N 475.427 6.419 50 10 JKGE Cc1cc([C@@H](Br)c2c(Br)cc(C)c(Cl)c2C)oc1Br 2224311742 NJNUOWHAVDEBPG-GFCCVEGCSA-N 471.414 6.868 50 10 JKGE Fc1ccc(F)c([C@H](Br)c2cc(Br)c(Br)cc2F)c1 2225618173 VAVVRIZLYWADIK-ZDUSSCGKSA-N 458.897 6.113 50 10 JKGE COc1ccc([C@@H](Cl)c2cc(C)ccc2I)c(Br)c1 2232222250 HKNJZPOUVGBKRS-OAHLLOKOSA-N 451.529 5.699 50 10 JKGE Clc1cccc([C@H](Cl)c2c(Br)cc(Cl)c(Cl)c2Cl)c1Cl 2232514120 SXQVQRRDPLRXKC-NSHDSACASA-N 453.805 8.044 50 10 JKGE COc1cc(Br)c([C@H](Br)c2cc(Cl)ccc2Br)cc1C 2236006082 ATMSXLAJDBKKSP-HNNXBMFYSA-N 483.425 6.666 50 10 JKGE Cc1ccc(I)c([C@@H](Cl)c2cc(Br)cc3c2OCC3)c1 2240999975 DYKKNHHCEVXGIO-OAHLLOKOSA-N 463.540 5.625 50 10 JKGE O=C(c1cc(Br)sc1Br)N1C[C@H](Br)CC12CCCCC2 2241039314 JYFLUGYZQZWDAD-SECBINFHSA-N 486.067 5.585 50 10 JKGE CCc1cc([C@@H](Br)c2csc(I)c2)sc1Br 2243466209 BKOWHDHTROKMNE-JTQLQIEISA-N 492.039 6.223 50 10 JKGE COc1ccc([C@@H](Br)c2coc(Br)c2)cc1I 2248893645 KWSQSXWXEXHHRB-GFCCVEGCSA-N 471.914 5.140 50 10 JKGE Cc1cc(Cl)c(Cl)cc1[C@@H](Br)c1ccccc1I 2253414297 MPQXIRPTVMDKSG-AWEZNQCLSA-N 455.948 6.391 50 10 JKGE COc1cccc([C@H](Br)c2cc(Br)sc2Br)c1Cl 2256329274 LMVOLSJIKBCGGE-JTQLQIEISA-N 475.427 6.419 50 10 JKGE Cl[C@H](c1ccc(I)cc1)c1cc2sc(Br)cc2s1 2263618191 NPUCNWGUWAPJLO-CYBMUJFWSA-N 469.594 6.658 50 10 JKGE COc1c([C@@H](Br)c2ccc(Br)c(C)c2Br)csc1Cl 2268952024 FQBUDMXTRCJKKI-NSHDSACASA-N 489.454 6.728 50 10 JKGE COc1ccc([C@@H](Br)c2cccc(Br)c2F)cc1I 2269540065 GAUZALBVFSVFLY-CYBMUJFWSA-N 499.943 5.686 50 10 JKGE Cc1cc(F)c(Br)cc1[C@H](Br)c1sc(C)c(C)c1Br 2270429681 OMVBKWYHZNFSOG-ZDUSSCGKSA-N 471.027 6.822 50 10 JKGE CC(C)(C)OC(=O)N1CCC(CBr)(OCc2c(F)cc(Br)cc2F)CC1 2271583096 ZOHKZYKDMGTBCK-UHFFFAOYSA-N 499.190 5.409 50 10 JKGE COc1ccc([C@H](Br)c2nn(C)c(Br)c2C)c(Br)c1Cl 2283569380 YYKRETBEFSMMPQ-JTQLQIEISA-N 487.417 5.400 50 10 JKGE FC1(F)CC[C@@]2(C1)[C@@H](Oc1cc(I)ccc1Cl)C[C@H]2Br 2295123068 YTJDCDVWOPMOSL-AGIUHOORSA-N 477.514 5.665 50 10 JKGE Fc1cc(F)c([C@H](Br)Cc2cc(Br)cc(Br)c2)cc1Cl 2295328989 BQKWXLPBJUSGMX-LLVKDONJSA-N 489.379 6.822 50 10 JKGE Cc1cccc(O[C@@H]2C[C@@H](Br)[C@@]23CCC(F)(F)C3)c1I 2295336494 WWOGEGRAPPNOKT-BZPMIXESSA-N 457.096 5.320 50 10 JKGE COc1cccc([C@@H](Br)Cc2cc(Br)cc(Br)c2)c1C 2295345635 OJKYPUFAFAIRKW-HNNXBMFYSA-N 463.007 6.207 50 10 JKGE COc1c(Br)cc([C@@H](Br)c2nscc2Br)c(OC)c1C 2295435024 NXPCWBJRAMOTJI-SNVBAGLBSA-N 486.023 5.478 50 10 JKGE CCc1ccc(C[C@H]2SC(=C(C#N)C(=O)Nc3ccccc3)N(c3ccccc3)C2=O)cc1 2296506720 BUYWHYXFIOITHF-XMMPIXPASA-N 453.567 5.314 50 10 JKGE CCOC(=O)C(C#N)=C1S[C@H](Cc2ccccc2Cl)C(=O)N1c1ccc(Br)cc1 2296834953 GDIQDTMPRZILET-GOSISDBHSA-N 491.794 5.092 50 10 JKGE CCCCCCCCOc1ccc(C=C(C#N)c2nc(-c3cc4ccccc4oc3=O)cs2)cc1 2297213754 ZSNSFPMQLBEEBH-UHFFFAOYSA-N 484.621 7.720 50 10 JKGE N#CC(=Cc1ccc(Br)cc1)c1nc(-c2cc3c(ccc4ccccc43)oc2=O)cs1 2297451273 REQRUECPWPXPKD-UHFFFAOYSA-N 485.362 6.896 50 10 JKGE COc1cc(C=C(C#N)C(=O)Nc2ccc(C)cc2C)ccc1Oc1nc(Cl)ncc1F 2297533560 PPDLBYOFRVVHAV-UHFFFAOYSA-N 452.873 5.233 50 10 JKGE CC1([C@@H](Br)c2ccc(OCc3ccccc3)cc2Br)CCCCC1 2299494526 IEKMJGNEEWXTFJ-FQEVSTJZSA-N 452.230 7.435 50 10 JKGE FC(F)([C@H]1CCOC1)[C@H](Br)c1sc(Cl)cc1I 2300949385 LHOHCPFXGXKQGC-SSDLBLMSSA-N 457.505 5.114 50 10 JKGE Fc1ccc([C@@H](Cl)c2sc(Cl)cc2I)cc1Br 2300956331 YIWDJFSGGPZKBR-SNVBAGLBSA-N 465.940 6.236 50 10 JKGE Cn1nc(Br)c(Br)c1[C@H](Br)c1cc(Cl)sc1Cl 2301045088 YXACVSRABYHSMA-RXMQYKEDSA-N 483.838 5.798 50 10 JKGE O=C(N[C@@H](CCBr)COCc1ccccc1)c1ccc(Br)c(Cl)c1 2303544292 AYHIWESBRYEGRV-HNNXBMFYSA-N 475.608 5.203 50 10 JKGE COc1cc(C=C(C#N)C(=O)Nc2ccc(C)c(C)c2)c([N+](=O)[O-])cc1OCc1ccccc1 2313510868 ARPIEQKYQZNKBH-UHFFFAOYSA-N 457.486 5.345 50 10 JKGE C[C@@H](NC(=O)C(C#N)=Cc1cn(Cc2ccc(Cl)cc2Cl)c2ccccc12)c1ccccc1 2313676774 FDDFZTFCAMIGGR-GOSISDBHSA-N 474.391 6.781 50 10 JKGE COc1ccc(C=C(C#N)C(=O)Nc2cccc([N+](=O)[O-])c2)cc1OCc1ccc(Cl)cc1 2313738545 GZTJGLAOHJBGOE-UHFFFAOYSA-N 463.877 5.381 50 10 JKGE Brc1ccc(OCc2ccccc2)c([C@H](Br)[C@@H]2C[C@@H]2C2CCCC2)c1 2314444780 MVSJSHHYKWVZTD-WOIUINJBSA-N 464.241 7.290 50 10 JKGE C=CCNC(=O)C(C#N)=Cc1cn(-c2ccccc2)nc1-c1cccc(OCc2ccccc2)c1 2314478976 ZKZLNCJKYNXWFF-UHFFFAOYSA-N 460.537 5.327 50 10 JKGE N#CC(=Cc1ccc(-c2cc(Cl)cc(Cl)c2)o1)C(=O)Nc1sc2c(c1C(N)=O)CCCC2 2314480507 CNTUKNPCPNNIOJ-UHFFFAOYSA-N 486.380 5.838 50 10 JKGE N#CC(=Cc1ccc(-c2ccc([N+](=O)[O-])cc2Cl)o1)C(=O)Nc1ccc(Cl)cc1Cl 2314571554 HCWRBBSYTHEBEN-UHFFFAOYSA-N 462.676 6.361 50 10 JKGE CCCCOc1ccc(C=C2C(=O)N(Cc3ccccc3Cl)C(=O)C(C#N)=C2C)cc1OC 2314620550 QJRBVEJGRHVJLX-UHFFFAOYSA-N 464.949 5.320 50 10 JKGE Cc1ccc(C=CC(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@H]3c2ccc(Cl)cc2Cl)cc1 2314634054 HBEUPSIMMGVTSL-VWLOTQADSA-N 477.347 6.139 50 10 JKGE COc1ccc(C=CC(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@H]3c2c(F)cccc2Cl)cc1 2314634413 PFJWUFGPOIJSBL-DEOSSOPVSA-N 476.891 5.325 50 10 JKGE CCN(C[C@](C)(CI)OCC1CCCCCCC1)C(=O)OC(C)(C)C 2319889184 PAYSCXATRZMNMO-FQEVSTJZSA-N 467.432 5.814 50 10 JKGE CC(C)c1ccc(-c2csc3nc(SCC(=O)NN=Cc4ccco4)nc(O)c23)cc1 2320487631 GQNDYWLNFPFFJH-UHFFFAOYSA-N 452.561 5.023 50 10 JKGE Cc1c(OCc2ccc(CCl)cc2)ccc2c1OC(=Cc1cc(Cl)cc3c1OCOC3)C2=O 2325339765 HCZMPCONBSXNTL-UHFFFAOYSA-N 483.347 6.449 50 10 JKGE Cc1cc(Br)c([C@@H](Br)[C@@H]2C[C@@H]3O[C@H]2[C@H]2C[C@@H]32)cc1Br 2328641384 ARJCADOVIKTHOO-XFMTUQRZSA-N 450.996 5.379 50 10 JKGE COc1ccc(C=C(C#N)n2cnc3ccccc32)cc1OCc1ccc(Cl)c(Cl)c1 2331032839 NWKDPQZUAQGQKR-UHFFFAOYSA-N 450.325 6.452 50 10 JKGE CCOc1cc(C=C(C#N)c2nc3ccccc3n2CC)ccc1OCc1ccccc1Cl 2331071803 LUIMGQREMAENJD-UHFFFAOYSA-N 457.961 6.751 50 10 JKGE CCOc1cc(C(O)=C(C#N)c2nc(-c3ccc(Cl)cc3)cs2)cc(OCC)c1OCC 2331295949 YJSAKPBWXRGYQN-UHFFFAOYSA-N 470.978 6.609 50 10 JKGE Cc1ccc(OCC(O)=C(C#N)c2nc(-c3ccc4c(c3)OCCO4)cs2)c(C(C)(C)C)c1 2331331282 ZNODSDFXOWMCNG-UHFFFAOYSA-N 462.571 6.059 50 10 JKGE CCOc1ccc(C=CC(O)=C(C#N)c2nc(-c3ccc(OC)c(OC)c3OC)cs2)cc1 2331412673 UZSWFTJTVGIYPS-UHFFFAOYSA-N 464.543 5.741 50 10 JKGE CCOC(=O)Oc1ccc(C(O)=C(C#N)c2nc(-c3ccc(OC)c(OC)c3OC)cs2)cc1 2331412709 ZNGLFQHXRDNLHF-UHFFFAOYSA-N 482.514 5.321 50 10 JKGE CCOc1c(Br)cc(C=C(C#N)c2nc(-c3ccccc3OC)cs2)cc1OC 2331434598 CDANMYUPURPILQ-UHFFFAOYSA-N 471.376 6.053 50 10 JKGE CCCOc1ccc(-c2csc(C(C#N)=Cc3cccc(OC)c3OC)n2)cc1OCCC 2331438046 UPDKCCMPTSOALX-UHFFFAOYSA-N 464.587 6.469 50 10 JKGE COc1ccc(OC)c(-c2csc(C(C#N)=Cc3ccc(OC(=O)c4ccccc4)c(OC)c3)n2)c1 2331450577 AIZZEPINZVZCCK-UHFFFAOYSA-N 498.560 6.119 50 10 JKGE Brc1ccc(OCc2ccccc2)c([C@H](Br)[C@H]2C[C@@H]2c2ccccc2)c1 2336039882 ARBDETJRVRMZOX-ZRCGQRJVSA-N 472.220 7.268 50 10 JKGE C[C@@H]1CC[C@@](C)([C@H](Br)c2cc(Br)ccc2OCc2ccccc2)C1(C)C 2336050677 MFBSPRJBQNZRLL-VZPUWSDOSA-N 480.284 7.927 50 10 JKGE Cc1cc(Br)c(C)c([C@H](Br)[C@H]2COCC2(C)C)c1Br 2336199412 CCEJIXYVGGHEEZ-QMTHXVAHSA-N 455.028 5.937 50 10 JKGE O=S1(=O)CCC[C@@H]1[C@@H](Br)c1c(Cl)cc(Br)c(F)c1Br 2337096439 HHEYENXTDXLLIG-VXNVDRBHSA-N 499.421 5.017 50 10 JKGE FCCOc1cccc([C@@H](Br)c2sc(Cl)cc2I)c1 2338556033 DVUIDJKEDWPSTE-GFCCVEGCSA-N 475.548 5.839 50 10 JKGE Cc1cc(Br)c(F)c(Br)c1[C@H](Br)[C@H]1C[C@@H]2CC[C@H]1O2 2339647103 XYQVRKXNFIXOHC-ZOWUKKRWSA-N 456.975 5.663 50 10 JKGE CO[C@@H]1C[C@@]2([C@@H](Br)c3c(C)cc(Br)c(F)c3Br)C[C@@H]12 2339653449 JIPQGZJPHZRZBM-LZSZVNACSA-N 456.975 5.520 50 10 JKGE Cc1cc(F)c(F)cc1[C@@H](Br)c1ccc(Cl)cc1I 2340068780 RENSBKVNAHNCOJ-AWEZNQCLSA-N 457.483 6.016 50 10 JKGE CC1(C)CCCC[C@]1(CBr)Cc1ccc(Cl)cc1I 2341048333 JGBFSUGEFGTAIM-MRXNPFEDSA-N 455.605 6.469 50 10 JKGE Clc1ccc(I)cc1CN1CC[C@@H]2C[C@@H](Br)CC[C@H]21 2352410057 DUZIJHYNQPISMY-IFUGULHKSA-N 454.577 5.083 50 10 JKGE BrCC(CBr)(C[C@@H]1C[C@@H]2CC[C@H]1O2)c1ccc(Br)cc1 2355000201 NVEZRFNLNVPPJZ-TUKIKUTGSA-N 467.039 5.434 50 10 JKGE Fc1cc(Br)c(F)c(Br)c1[C@@H](Br)[C@@H]1C[C@@H]2O[C@H]1[C@H]1C[C@@H]21 2359721081 KEOMVYGQYHFJBS-INUHIWTGSA-N 472.949 5.349 50 10 JKGE Cc1c(Br)cccc1[C@H](Cl)c1c(F)cc(Cl)c(Br)c1Cl 2360430596 ZPUOMUKRKFLFFI-ZDUSSCGKSA-N 461.383 7.294 50 10 JKGE Brc1cc(OCc2ccccc2)ccc1[C@@H](Br)[C@H]1CCOc2ccccc21 2361196634 ZMIVKZADFKBLOB-CVDCTZTESA-N 488.219 7.030 50 10 JKGE FC(F)(F)[C@H]1C[C@@H](Br)CCN1Cc1cc(Br)ccc1Br 2361431645 YLADHBJUSXWUQR-CMPLNLGQSA-N 479.960 5.502 50 10 JKGE Cc1cc(Cl)cc([C@@H](Cl)c2c(Cl)cc(Br)c(F)c2Br)c1 2362225979 WDARJCPTFUQGFG-CYBMUJFWSA-N 461.383 7.294 50 10 JKGE Fc1c(Br)cc(Cl)c([C@H](Cl)c2ccc(Cl)c(Cl)c2)c1Br 2362226814 XCCZECPJPNPJOK-GFCCVEGCSA-N 481.801 7.639 50 10 JKGE Fc1c(Br)cc(Cl)c([C@@H](Cl)c2cccc(Cl)c2Cl)c1Br 2362226870 XKNILTIMJSKNOE-LBPRGKRZSA-N 481.801 7.639 50 10 JKGE Cc1ccc(F)cc1[C@H](Br)c1c(Cl)cc(Br)c(F)c1Br 2362229420 JUCNDESWVYMUSW-LBPRGKRZSA-N 489.379 6.936 50 10 JKGE Fc1c(Br)cc(Cl)c([C@@H](Br)C[C@H]2CCC[C@@H]3C[C@H]23)c1Br 2362239655 MMKMFIUGSWUGFG-IMSYWVGJSA-N 489.448 7.266 50 10 JKGE CCc1occ(C)c1[C@H](Br)c1c(C)cc(Br)c(F)c1Br 2365177779 DBXXIKNVTFZADT-ZDUSSCGKSA-N 468.986 6.607 50 10 JKGE C[C@H]1[C@H](C(F)(F)F)N(CC2(CBr)CC(C)(C)C2)CCN1C(=O)OC(C)(C)C 2371133143 LUGUUAUYBVJDIO-UONOGXRCSA-N 457.375 5.060 50 10 JKGE ClC[C@H](Cc1cccc(Br)c1)Cc1cc(I)ccc1Cl 2380531302 NLFHVVCLCRVUFB-GFCCVEGCSA-N 484.002 6.347 50 10 JKGE C[C@@]1(NC(=O)c2scc(Br)c2Br)C[C@H]2CC[C@H]1C[C@@H]2Br 2380896738 LAIFWFCOVBTODT-LVAGBLAWSA-N 486.067 5.345 50 10 JKGE CSc1sc(C)cc1[C@H]1C(C#N)=C(N)N(c2cccc(Br)c2)C2=C1C(=O)CCC2 9981613 ANFHBKGHYORBBO-IBGZPJMESA-N 486.460 5.846 50 10 JKGE O=C(COc1ccc(Br)cc1Cl)N/N=C/c1ccccc1OCc1ccccc1 13977870 ZNUNHPMONBEYQK-DHRITJCHSA-N 473.754 5.211 50 10 JKGE Cc1cccc(N/C(SCc2ccccc2F)=C(/C#N)S(=O)(=O)c2ccccc2)c1C 20325769 RNRKGPVSXYFIAU-WCWDXBQESA-N 452.576 5.954 50 10 JKGE CCSc1ccsc1[C@@H]1C(C#N)=C(N)N(c2ccc([N+](=O)[O-])cc2)C2=C1C(=O)CCC2 27550682 KDZRDJGZYZAOAS-LJQANCHMSA-N 452.561 5.073 50 10 JKGE CCOc1cc(/C=C(/C#N)C(=O)Nc2c(C)cc(C)cc2C)ccc1OCc1ccc(F)cc1 33406722 OKDKJGNRTRYENN-UCQKPKSFSA-N 458.533 6.274 50 10 JKGE C=CCOc1c(I)cc(/C=C(/C#N)c2nc3cc(C)ccc3[nH]2)cc1OC 33472716 OFWJWIFMLHPTNW-DHDCSXOGSA-N 471.298 5.114 50 10 JKGE Cc1cccc(OCCOc2c(Cl)cc(Cl)cc2/C=C(/C#N)C(=O)Nc2ccccc2C)c1 33658297 GSUMFFZAKOHQSL-MOSHPQCFSA-N 481.379 6.614 50 10 JKGE C=CCOc1ccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4ccccc4OCC)ccc32)cc1OC 38681178 ZZALJNAJYQIYSW-MHZLTWQESA-N 498.535 5.096 50 10 JKGE Cc1ccc(NC(=O)c2oc3c(c2C)/C(=N/NC(=O)c2cccc([N+](=O)[O-])c2)CCC3)cc1Cl 40813014 GFLLWMPJOOANGD-ZXVVBBHZSA-N 480.908 5.181 50 10 JKGE Cc1occc1C(=O)N/N=C1\CCCc2oc(C(=O)Nc3cc(C(F)(F)F)ccc3Cl)c(C)c21 40823399 KQEJGVXIXFVLKV-MUFRIFMGSA-N 493.869 5.884 50 10 JKGE CCOC(=O)c1c(-c2ccc(C)cc2C)csc1NC(=O)/C(C#N)=C/c1ccc(Cl)cc1 41013087 OEYOQEYVNFJTGS-LDADJPATSA-N 464.974 6.408 50 10 JKGE COc1ccc(/C(C)=N/NC(=O)c2ccccc2OCc2cccc(Br)c2)c(OC)c1 96095891 JMVQAQXSQRNUBM-WGOQTCKBSA-N 483.362 5.199 50 10 JKGE CCOc1ccc(N2C(=O)[C@@H](Cc3ccccc3)S/C2=C(/C#N)C(=O)Nc2ccccc2C)cc1 101245151 YWSINNIACLZAJA-RAMZYJDASA-N 483.593 5.459 50 10 JKGE CCOc1ccc([C@@H](Br)c2cc(Br)sc2Br)cc1OCC 109870214 SOJAXABXAATFFY-CQSZACIVSA-N 499.062 6.555 50 10 JKGE Cc1cc([C@@H](Br)c2cc(C)c(Br)s2)c(C)cc1Br 126060620 FYHVWGRMRZIZKS-CYBMUJFWSA-N 453.037 6.683 50 10 JKGE FC(F)(F)C(F)(F)[C@H](Br)c1cc(Br)c(Br)s1 128288585 XFQIRXADTYDFQF-SCSAIBSYSA-N 452.862 5.907 50 10 JKGE CCCCC1CCC([C@@H](Br)c2cc(Br)c(C)cc2Br)CC1 128777510 VQKHPNVNDQTJIH-WTNGLUPJSA-N 481.110 7.953 50 10 JKGE Fc1cccc([C@@H](Cl)c2cc(Br)sc2Br)c1Br 156084325 LBZLIXXBNUOVAK-SNVBAGLBSA-N 463.391 6.503 50 10 JKGE COc1cc(/C=N\NC(=O)c2c(C)ccc3ccccc23)ccc1OCc1cccc(Cl)c1 169921768 VODFVIQZGJUZBB-MWLSYYOVSA-N 458.945 6.153 50 10 JKGE CCOC(=O)c1c(NC(=O)N/N=C/c2cccc(OCc3ccccc3)c2)sc2c1CC[C@@H](C)C2 206220904 CWSYUZHQYKWPDB-GBYSFBBLSA-N 491.613 5.784 50 10 JKGE Cc1cccc(C)c1CC(CBr)(CBr)c1cccc(Br)c1 215503081 ZUTPGTCOCARZBP-UHFFFAOYSA-N 475.062 6.336 50 10 JKGE Cc1cc(I)ccc1N/C=C(/C#N)C(=O)Nc1cccc(C(F)(F)F)c1 217144526 XGXONZBCWCJDMV-BENRWUELSA-N 471.220 5.077 50 10 JKGE Cc1sc([C@@H](Br)c2ccc(I)cc2)cc1Br 227837803 KUJMLJMMOMJHKD-LBPRGKRZSA-N 471.983 5.908 50 10 JKGE COc1ccc(S(=O)(=O)N(Cc2ccccc2)c2ccccc2C(=O)NN=C(C)C(C)(C)C)cc1 254704009 BJNWAQHRSNBOCI-UHFFFAOYSA-N 493.629 5.243 50 10 JKGE O=C(/C=C\c1ccccc1)Oc1ccccc1C=NNC(=O)c1ccc(NC(=O)c2ccccc2)cc1 254814561 GLOKHUDQTSNZNY-MQNQNMFVSA-N 489.531 5.322 50 10 JKGE CC(=NNC(=O)c1sc2ccccc2c1Cl)c1ccc(NC(=O)c2ccc(Cl)s2)cc1 254840156 FLJQISDRQWNJMK-UHFFFAOYSA-N 488.421 6.676 50 10 JKGE O=C(COc1ccc(-c2nc(CCl)cs2)cc1)N(Cc1ccccc1)Cc1ccccc1 310315145 BNHWEXRJQBGZRW-UHFFFAOYSA-N 463.002 6.157 50 10 JKGE COc1c(Br)cc(Cl)cc1[C@H](Br)c1ccc(OCc2ccccc2)cc1 311652198 DYZDYLQKHMSRTR-HXUWFJFHSA-N 496.626 7.174 50 10 JKGE C[C@H]1C[C@H](n2c(CCl)nc3cc(I)c(F)cc32)CCN1Cc1ccccc1 379600711 AJVPUGLSPSFOIE-GOEBONIOSA-N 497.783 5.744 50 10 JKGE CC(C)[C@@H](CN(C)Cc1ccccc1)n1c([C@H](C)Cl)nc2cc(I)ccc21 397955070 BCCLJRXDOKPLAG-HRAATJIYSA-N 495.836 6.270 50 10 JKGE CC(C)[C@@H]1CC[C@H](Br)[C@@H](Cc2cc(Cl)ccc2I)C1 405331544 GWRWBGYKERFZGJ-JMSVASOKSA-N 455.605 6.323 50 10 JKGE CC(C)(C)[Si](C)(C)OCCN1CCCC[C@H](c2cccc(CO[Si](C)(C)C(C)(C)C)c2)C1 616605349 YZZUXZYPWKEGCG-VWLOTQADSA-N 477.882 7.800 50 10 JKGE Cc1cccc([C@H](Br)c2ccc(F)c(Cl)c2F)c1I 689652925 QXQDWVXLHLBNJC-LLVKDONJSA-N 457.483 6.016 50 10 JKGE BrCc1cc(Br)ccc1N1C[C@H]2CC[C@H]1[C@@H]1CN(Cc3ccccc3)C[C@@H]21 705885827 IGULYZKCVZVUMA-DKOYFPBOSA-N 490.283 5.691 50 10 JKGE COC(=O)/C(C#N)=C(\Cc1ccccc1)C1=C(N[C@@H](Cc2ccccc2)C(=O)OC(C)(C)C)CCC1 725402853 NKPZCNZWDHYXLY-NQICRGAOSA-N 486.612 5.203 50 10 JKGE CC1=C(C(=O)NN=Cc2ccc(Cl)cc2Cl)[C@@H](c2ccc(Cl)cc2Cl)NC(=O)N1 1084338670 IBBDNTHMUNYMRJ-QGZVFWFLSA-N 472.159 5.078 50 10 JKGE C=CCc1cc(C=NNC(=O)CC[C@H](O)c2ccc(OCC)cc2)ccc1OCc1ccc(C)cc1 1084505317 NCGHMPCDFSRUTF-NDEPHWFRSA-N 486.612 5.665 50 10 JKGE Cc1c(Cl)cccc1NC(=O)c1oc2c(c1C)C(=NNC(=O)c1cccc3ccccc13)CCC2 1772749170 XSWXMACGQNVCKW-UHFFFAOYSA-N 485.971 6.426 50 10 JKGE CCCCOc1ccc(C=NNC(=O)CSc2nc(-c3ccc(Cl)cc3)cs2)cc1 1772755093 MOIJMZJLNCTPME-UHFFFAOYSA-N 460.024 5.885 50 10 JKGE CC(C)(C)c1ccc(OCCCC(=O)NN=Cc2c[nH]c3ccccc23)c(Br)c1 1772755429 HHLKOAMFJROFQT-UHFFFAOYSA-N 456.384 5.537 50 10 JKGE CCOc1c(Br)cc(C=NNC(=O)[C@H](C)Oc2ccc(C(C)(C)C)cc2)cc1OC 1772756126 LUSBFAFXNCXVKG-HNNXBMFYSA-N 477.399 5.072 50 10 JKGE CCc1nn(Cc2ccc(Cl)c(Cl)c2)c2c1[C@@H](c1cccc3ccccc13)C(C#N)=C(N)O2 1865682435 OHJZCLRLUZIPSK-QHCPKHFHSA-N 475.379 6.172 50 10 JKGE N#CC1=C(N)Oc2c(c(C(F)(F)F)nn2-c2ccc(Br)cc2)[C@@H]1c1cccc(Cl)c1 1865684353 XAXMWJAQEAMOHU-OAHLLOKOSA-N 495.686 5.525 50 10 JKGE Cc1ccc(O)c([C@H]2C(C#N)=C(N)Oc3c2c(-c2ccccc2)nn3-c2ccc(Br)cc2)c1 1865687739 ZDTLWGVJTZAYOP-QFIPXVFZSA-N 499.368 5.534 50 10 JKGE CC(C)Oc1ccccc1[C@@H]1C(C#N)=C(N)Oc2c1c(C(F)(F)F)nn2-c1cccc2ccccc12 1865705598 ZUVZLTYEXKPBRV-JOCHJYFZSA-N 490.485 6.050 50 10 JKGE COc1ccc(-c2nn(Cc3ccc(F)cc3)c3c2[C@H](c2ccc(F)cc2)C(C#N)=C(N)O3)cc1 1865708000 LPIAXPPKZDMEER-HSZRJFAPSA-N 470.479 5.103 50 10 JKGE CCCC[C@H](NC(=O)[C@H](c1ccc(Cl)cc1)C1CCCC1)C(=O)Nc1ccc(SC#N)cc1 1867006406 UXJKPDFPTDZONF-ZEQRLZLVSA-N 484.065 6.501 50 10 JKGE COc1ccc2c(c1)CCN(c1cc(Nc3ccc(SC#N)cc3)nc(C(C)(C)C)n1)[C@H]2C 1868342767 ZGCJSIIXBRUXEG-KRWDZBQOSA-N 459.619 6.223 50 10 JKGE COc1ccc(-c2coc3cc(OCc4cccc(CCl)c4)c(OC)cc3c2=O)cc1OC 1871437311 RDPVSQAWRSRABI-UHFFFAOYSA-N 466.917 5.804 50 10 JKGE N#C/C(=C(/O)CNC(=O)c1ccc(Cl)cc1)c1nc(-c2ccc(Br)cc2)cs1 1872746350 DAFHPHUMTPXEQU-VLGSPTGOSA-N 474.767 5.449 50 10 JKGE COc1c(C)cc(C)cc1-c1csc(/C(C#N)=C(\O)CCCOc2ccc(Cl)cc2)n1 1872754627 BNPZTUKQOIWGFP-XDOYNYLZSA-N 454.979 6.741 50 10 JKGE COc1c(Cl)cc(-c2csc(/C(C#N)=C(\O)c3ccc(C(C)(C)C)cc3)n2)cc1Cl 1872756022 QJIDKEUFFMLBOS-SILNSSARSA-N 459.398 7.373 50 10 JKGE COc1cc(OC)c(-c2csc(/C(C#N)=C(\O)Cc3cc(Cl)ccc3Cl)n2)cc1Cl 1872756560 PWBOPOFHXAIWDR-JXAWBTAJSA-N 481.788 6.823 50 10 JKGE C=CCOc1ccccc1OC/C(O)=C(\C#N)c1nc(-c2cc(Cl)ccc2Cl)cs1 1872758870 UVCUHIFZTYGDES-MNDPQUGUSA-N 459.354 6.553 50 10 JKGE CCOc1ccc(/C=C(C(/O)=C(\C#N)c2nc(-c3cccc([N+](=O)[O-])c3)cs2)\c2ccccc2)cc1 1873941029 SNEBUMMYHHTICN-WQKWTJNBSA-N 495.560 7.150 50 10 JKGE FC(F)(F)[C@@H]1C[C@H]1C[C@@H](Br)c1cc(Br)sc1Br 1908751009 UXNRTXPUNGTQRF-UBKIQSJTSA-N 456.947 6.298 50 10 JKGE CCCCC1CCC([C@@H](Br)c2c(Cl)sc(Br)c2Cl)CC1 1925602149 YVGUKSBFZUINDY-RTYFJBAXSA-N 463.106 8.250 50 10 JKGE C[C@@H]1CC[C@@H](OC2(CI)CCN(C(=O)OC(C)(C)C)CC2)[C@H](C)C1 1947112791 PHOWOQLNDNVEPT-BZUAXINKSA-N 451.389 5.032 50 10 JKGE CC1(F)CC([C@@H](Cl)c2c(Br)sc(Br)c2Br)C1 1986898751 AGYGINSFNONNJB-POUYQYJTSA-N 455.412 6.454 50 10 JKGE CC(F)(F)C1([C@H](Br)c2cc(Br)c(Br)s2)CCC1 2016004078 OKRUHMKINXRPKU-MRVPVSSYSA-N 452.984 6.535 50 10 JKGE CCOc1ccc([C@@H](Br)c2cc(Br)sc2Br)s1 2026359128 BVZRMVCBIJYSLD-JTQLQIEISA-N 461.038 6.218 50 10 JKGE CS(=O)(=O)c1sccc1[C@H](Br)c1cc(Br)c(Cl)s1 2033134010 BCCCSOKWOMEQNG-QMMMGPOBSA-N 450.626 5.113 50 10 JKGE COc1cc(C=C(C#N)c2nc(O)c3c4c(sc3n2)C[C@H](C)CC4)cc(Br)c1O 2040447210 QNHZPURUDHRCAN-SNVBAGLBSA-N 472.364 5.063 50 10 JKGE N#CC(=Cc1c(-c2ccc(Cl)cc2Cl)nc2sc3c(n12)CCCC3)c1cccc(Cl)c1 2040742200 UHEBWDZUYBHRLX-UHFFFAOYSA-N 484.839 7.966 50 10 JKGE Cc1nc([C@H](Br)c2ccc(C)c(Br)c2C)c(Br)s1 2050336585 YGDVVTKLDOQEID-LLVKDONJSA-N 454.025 6.078 50 10 JKGE Cc1cc(Br)c(CBr)c(N(C)[C@H]2CCCN(Cc3ccccc3)C2)c1 2053213698 RJYWSOOSRBJIHJ-SFHVURJKSA-N 466.261 5.753 50 10 JKGE COc1cc(Br)c(C)cc1[C@H](Br)c1cc(Br)sn1 2056495342 CKHBUHRYCZWXFQ-LBPRGKRZSA-N 455.997 5.469 50 10 JKGE Cc1cc(Br)c([C@H](Br)[C@@H]2C[C@H]3O[C@H]2[C@H]2C[C@H]23)cc1Br 2087775316 ARJCADOVIKTHOO-KFBKUKKESA-N 450.996 5.379 50 10 JKGE BrCc1c(Br)cccc1N1CCC[C@@H]1[C@@H]1CCN(Cc2ccccc2)C1 2089000712 ORYIHVPWBUWBSE-WIYYLYMNSA-N 478.272 5.835 50 10 JKGE C[C@H](Br)C[C@@H]1CCCCN1C(=O)c1csc(Br)c1Br 2093945073 VLVQCXRAHCGBSX-IUCAKERBSA-N 474.056 5.441 50 10 JKGE Brc1scc([C@H](Br)c2ccc3c(c2)CCCC3)c1Br 2093947727 DWSBSHQOKKZQAP-CYBMUJFWSA-N 465.048 6.636 50 10 JKGE Fc1ccc(C[C@H](Br)c2c(Br)cccc2Br)c(F)c1 2094100935 XSTXWXASXCNPDL-LBPRGKRZSA-N 454.934 6.169 50 10 JKGE Cn1ncc(COc2c(Br)cc(Br)cc2CBr)c1Cl 2111945287 WXCGHLQFWVRHPG-UHFFFAOYSA-N 473.390 5.072 50 10 JKGE CC(C)n1ncc(Br)c1C[C@H](Br)c1ccccc1Br 2113445770 ZKQCCRIUSRMBDR-LBPRGKRZSA-N 451.000 5.668 50 10 JKGE FC1(F)CCC[C@@H]2[C@H]([C@H](Br)c3cc(Br)ccc3Br)[C@H]21 2114396541 LJGBAUGTHIGDLI-ZJNJWXDTSA-N 458.966 6.329 50 10 JKGE CO[C@@H]1C[C@@H]([C@H](Cl)c2c(Br)sc(Br)c2Br)C12CCC2 2133845965 NIXBJIKOADNRIR-PJKMHFRUSA-N 493.486 6.521 50 10 JKGE CCC12COC([C@H](Br)c3cc(Br)c(C)cc3Br)(C1)C2 2140281633 WVOICJBXQNCMIP-WLYUNCDWSA-N 453.012 5.915 50 10 JKGE Cc1cc([C@H](Cl)[C@@H](C)c2ccncc2Br)ccc1I 2142105353 COBMCYJDOVOJCM-ZUZCIYMTSA-N 450.545 5.841 50 10 JKGE Clc1cc2c(c([C@H](Br)c3cccc(Br)c3Br)c1)OCC2 2148752328 SXHZCASEMKZJQF-CYBMUJFWSA-N 481.409 6.284 50 10 JKGE Cc1cc(Br)c([C@H](Br)[C@H]2CC[C@@]3(C2)CC3(F)F)cc1Br 2156117460 RJLMXUYPNQWYNP-CUOATXAZSA-N 472.993 6.782 50 10 JKGE CCc1nc([C@H](Br)c2cc(Cl)c(OC)cc2Cl)c(Br)s1 2169487203 COHJTELKVNWDIL-LLVKDONJSA-N 460.018 6.268 50 10 JKGE Cc1cc(Br)c([C@@H](Br)c2cc3cnn(C)c3s2)cc1Br 2175234913 VSNNWFKFPPEMHZ-CYBMUJFWSA-N 479.035 5.953 50 10 JKGE O=C(NCC[C@@H]1CCCC[C@H]1Br)c1cccc(Br)c1Br 2179628712 FXZUDAQZYXYRES-CMPLNLGQSA-N 468.027 5.285 50 10 JKGE Fc1cc(Br)ccc1[C@H](Br)c1c(Br)cc(F)c(Cl)c1F 2201618695 KHOGMFSKUDPEQO-NSHDSACASA-N 493.342 6.767 50 10 JKGE O=C(Nc1ccc(F)c(CCl)c1)c1ccc(Br)cc1I 2207266654 GLARKVHDLNRMLY-UHFFFAOYSA-N 468.491 5.184 50 10 JKGE Cc1ccc(I)c([C@@H](Cl)c2cc(Cl)c(Br)s2)c1 2217420610 GRSLVYNOWWNKPQ-LLVKDONJSA-N 461.977 6.405 50 10 JKGE Brc1cc([C@@H](Br)C2C[C@H]3CCC[C@H](C2)C3)c(Br)s1 2218347722 BOQUZLVYPXSJMS-RVBZMBCESA-N 457.069 6.926 50 10 JKGE CC(C)(C)OC(=O)N[C@@H]1CN(CCCCCI)C2(CCCCCC2)C1 2220220636 VJZGDXURPXHDLI-KRWDZBQOSA-N 464.432 5.284 50 10 JKGE COc1c(C(C)C)cc(Br)cc1[C@@H](Br)[C@H]1C[C@H](Br)C1 2224919031 WKGWUAMFVDIFAQ-BHDSKKPTSA-N 455.028 6.191 50 10 JKGE Fc1ccc([C@H](Br)c2cc(Br)cc(Br)c2)c(F)c1F 2225934088 VCZNOGRKGSZDBN-LLVKDONJSA-N 458.897 6.113 50 10 JKGE FC(F)(F)[C@@H]1CCO[C@H]1[C@H](Br)c1c(Cl)sc(Br)c1Cl 2231818651 CXIULIDWOASDEE-HGWBJXFBSA-N 462.940 6.221 50 10 JKGE O=[N+]([O-])c1ccc([C@H](Br)c2c(Br)cc(Cl)c(Cl)c2Cl)o1 2232510203 GCYOQSUWEGOCOK-VIFPVBQESA-N 464.324 6.395 50 10 JKGE CCCCCCc1ccc([C@@H](Cl)c2scc(Br)c2Br)s1 2234123712 KEOPQLHPQRDMIE-CQSZACIVSA-N 456.696 7.786 50 10 JKGE Cc1cc(Br)c([C@H](Br)c2cc3sccc3s2)c(C)c1Br 2235605287 RDRARDJWPNDTID-OAHLLOKOSA-N 495.099 7.589 50 10 JKGE COc1cc(Br)c([C@@H](Br)c2c(Br)nn(C)c2C)cc1C 2236010805 HGVZRMSUBBJIBJ-CYBMUJFWSA-N 466.999 5.055 50 10 JKGE Fc1ccc(Br)cc1[C@H](Br)c1ccc2c(c1Br)CCO2 2238082453 OJCWDYHPESBPEV-OAHLLOKOSA-N 464.954 5.770 50 10 JKGE Clc1ccc([C@@H](Br)c2ccc3c(c2Br)CCO3)c(Br)c1 2238083349 XNSVJZGTEQUOBA-CQSZACIVSA-N 481.409 6.284 50 10 JKGE O=C(Nc1ccccc1CCBr)c1cc(Br)cc(Br)c1 2238841803 PXPYRFGMPSDSJG-UHFFFAOYSA-N 461.979 5.401 50 10 JKGE Cc1ccc(-n2c(CCl)nc3cccc(Br)c32)c(I)c1 2240507080 PJKGLEHIIBSAEQ-UHFFFAOYSA-N 461.528 5.440 50 10 JKGE COc1ccc([C@H](Cl)c2cc(Br)c(Br)cc2F)c(Br)c1 2240816844 GNTWLLZXJQLKRJ-AWEZNQCLSA-N 487.388 6.450 50 10 JKGE Cc1c(Br)ccc([C@@H](Cl)Cc2cc(Cl)cc(Cl)c2)c1Br 2240917839 VMFAJBNGDOHFBJ-AWEZNQCLSA-N 457.420 7.349 50 10 JKGE COc1ccc([C@@H](Br)C2(Br)CCC2)cc1I 2243905437 OPUMKWXCIDRWAW-LLVKDONJSA-N 459.947 5.053 50 10 JKGE CCc1cc([C@H](Br)c2cc(Br)ccc2C)sc1Br 2256055901 PTQGFFSCRAHDPA-CYBMUJFWSA-N 453.037 6.628 50 10 JKGE C[C@@H]1Cc2cc([C@@H](Br)c3cc(Br)co3)cc(Br)c2O1 2270463346 GNUHAAVIWLSOHC-FUXBKTLASA-N 450.952 5.612 50 10 JKGE CCN[C@H](c1c(F)cc(Br)c(F)c1Br)C1CC(Br)C1 2272748758 YYEANLVRNNMZMP-RBEJAIPDSA-N 461.970 5.314 50 10 JKGE Fc1cc(Br)c([C@@H](Cl)c2c(F)cccc2I)c(F)c1F 2282892712 DSKJZLSQWSULFO-LLVKDONJSA-N 479.436 5.938 50 10 JKGE Clc1ccc([C@@H](Cl)c2cc(Br)cc3c2OCC3)cc1I 2283575034 SDZZCMIIWPPYCH-CQSZACIVSA-N 483.958 5.970 50 10 JKGE Cc1cc(Cl)c(Br)cc1[C@@H](Cl)c1cc(Br)c(F)cc1Cl 2285985795 MVWNWWWFJDCKBB-CQSZACIVSA-N 461.383 7.294 50 10 JKGE C[C@H](C[C@@H](Br)c1c(F)cc(Br)c(F)c1Br)CC(C)(C)C 2288493718 WHIQGKOVAQATMF-RKDXNWHRSA-N 477.025 7.388 50 10 JKGE CCCCCOc1ccc(C=C(C#N)C(=O)Nc2ncc(Cc3ccc(F)cc3)s2)cc1OC 2293038422 BIMOONUIDKBNQL-UHFFFAOYSA-N 479.577 5.996 50 10 JKGE CCCCCCCCOc1ccc(C=C(C#N)C(=O)Nc2ncc(Cc3ccc(F)cc3)s2)cc1 2293038621 PKCXPMYVPDMFLU-UHFFFAOYSA-N 491.632 7.158 50 10 JKGE N#CC(C(=O)Nc1ccccc1)=C1S[C@@H](Cc2cccc(Cl)c2)C(=O)N1c1ccc(F)cc1 2293039054 ZOPLHOQCVLQMLU-QFIPXVFZSA-N 477.948 5.544 50 10 JKGE N#CC(=Cc1cn(Cc2cccc3ccccc23)c2ccccc12)C(=O)Nc1cccc(Cl)c1 2293188500 NIUTWAJTGAYDPL-UHFFFAOYSA-N 461.952 7.042 50 10 JKGE FC1(F)CCCC[C@@H]([C@H](Br)Cc2cc(Br)cc(Br)c2)C1 2295336602 YMYBCSVTIMZLHK-BXUZGUMPSA-N 475.009 6.733 50 10 JKGE Cc1cc([C@H](Br)c2cc3sc(Br)cc3s2)cc(C)c1Br 2295413694 IGMRMMPAWAJWOP-HNNXBMFYSA-N 495.099 7.589 50 10 JKGE COc1cc(Cl)ccc1[C@H](Br)c1cc2sc(Br)cc2s1 2295508750 HSZGJIUNUADLCH-AWEZNQCLSA-N 452.620 6.872 50 10 JKGE COC(=O)c1c(NC=C(C#N)c2nc(-c3cc4ccccc4oc3=O)cs2)sc(C(C)=O)c1C 2296275672 KQRDUOYYOCHJTH-UHFFFAOYSA-N 491.550 5.252 50 10 JKGE N#CC(=CNc1cc(C(F)(F)F)ccc1Cl)c1nc(-c2ccc([N+](=O)[O-])cc2)cs1 2297321359 ZDZCULUJSKCDEK-UHFFFAOYSA-N 450.829 6.367 50 10 JKGE COc1ccc2nc(C(C#N)=Cc3ccc(OCc4ccc(Br)cc4)cc3)[nH]c2c1 2297374439 XZMUOSDWTGAZTL-UHFFFAOYSA-N 460.331 5.977 50 10 JKGE CCOc1c(Br)cc(C=C(C#N)C(=O)Nc2ccc(OC)cc2)cc1Br 2297382368 FPYPZRAECPNDND-UHFFFAOYSA-N 480.156 5.165 50 10 JKGE CC(C)CC(CBr)(CBr)Cc1sc(Cl)cc1Br 2304906034 XURRBWLEIDWTBR-UHFFFAOYSA-N 467.492 6.529 50 10 JKGE C=CCc1cc(C=C(C#N)C(=O)N(C)C)cc(Br)c1OCc1ccc(Cl)cc1Cl 2313568455 SQMAFFIXPKITTL-UHFFFAOYSA-N 494.216 6.059 50 10 JKGE CCOc1cc(C=C(C#N)C(=O)Nc2cccc(Cl)c2C)ccc1OCc1ccc(C)cc1 2313670680 OSVMBSOYHFDXAI-UHFFFAOYSA-N 460.961 6.480 50 10 JKGE Brc1ccc(OCc2ccccc2)c([C@H](Br)C[C@H]2CCCC23CC3)c1 2314443827 IMDBELSGMGEOFJ-YLJYHZDGSA-N 464.241 7.435 50 10 JKGE FC1(F)CCCC[C@H]1[C@@H](Br)c1ccc(OCc2ccccc2)cc1Br 2314449714 SCTXKXFVNSSLJE-HKUYNNGSSA-N 474.183 7.290 50 10 JKGE FC(F)(F)COCC[C@@H](Br)c1ccc(OCc2ccccc2)cc1Br 2314500699 QFHHGJLUUUOSPK-MRXNPFEDSA-N 482.134 6.433 50 10 JKGE Cc1c(F)cccc1[C@@H](Br)c1ccc(OCc2ccccc2)cc1Br 2314502597 KKHAVRSCPHGUFX-OAQYLSRUSA-N 464.172 6.960 50 10 JKGE CCCCN1C(=O)C(=Cc2ccc(OCc3ccc(C)cc3)c(OCC)c2)C(C)=C(C#N)C1=O 2314610599 JXTZTGBMIIUBGP-UHFFFAOYSA-N 458.558 5.365 50 10 JKGE CC1=C(C#N)C(=O)N([C@H](C)c2ccccc2)C(=O)C1=Cc1ccc(-c2cc(Cl)ccc2Cl)o1 2314619082 ZKYQNVKCWQHASX-MRXNPFEDSA-N 477.347 6.607 50 10 JKGE CCCOc1ccccc1[C@@H]1C(C#N)=C(N)Oc2cc(OC(=O)C=Cc3ccccc3)ccc21 2314634404 MZDZARALMLSJBM-MHZLTWQESA-N 452.510 5.312 50 10 JKGE C[C@H](C1CCC1)[C@H](Br)c1c(Cl)cc(Br)c(F)c1Br 2315439242 BUKCZNIPCUKCDV-KBUNVGBDSA-N 463.410 6.876 50 10 JKGE Cn1cnc(Br)c1[C@H](Cl)c1cc(Br)c(Br)cc1F 2315626128 WEHHGILJVIDNIJ-SECBINFHSA-N 461.354 5.175 50 10 JKGE Cc1cc(Br)c(F)c(Br)c1[C@@H](Br)[C@@H](C)C(F)(F)F 2317403344 NJJVZGWVLWPTMC-XRGYYRRGSA-N 456.897 6.294 50 10 JKGE N#CC(=CNc1ccccc1Sc1ccccc1)C(=O)Nc1ccc(Br)cc1 2324084384 FDDZFIDEXXFEPX-UHFFFAOYSA-N 450.361 6.058 50 10 JKGE Cc1cc(I)ccc1NC=C(C#N)C(=O)Nc1ccc(Cl)cc1Cl 2324492529 FETDAPYBIWRKLW-UHFFFAOYSA-N 472.113 5.365 50 10 JKGE BrC[C@]1(Cc2ccc(I)c(Br)c2)CCC12CCC2 2325223867 QVOQKIHTAZSSGS-OAHLLOKOSA-N 484.013 5.942 50 10 JKGE CCCCOc1ccc(C(O)=C(C#N)c2nc(-c3ccc(OC)c(C)c3)cs2)cc1OCC 2331259812 DRLAFCXDFNCKTM-UHFFFAOYSA-N 464.587 6.655 50 10 JKGE CCc1cccc(CC)c1N1C[C@@H](C(O)=C(C#N)c2nc(-c3ccc(OC)cc3)cs2)CC1=O 2331273587 SHJUNLDCLSFEOY-FQEVSTJZSA-N 473.598 5.789 50 10 JKGE COc1c(Cl)cc(Cl)cc1-c1csc(C(C#N)=C(O)Cc2ccc(Br)cc2)n1 2331362471 ODSLWTCWBLKAAC-UHFFFAOYSA-N 496.213 6.923 50 10 JKGE COc1cc(C(O)=C(C#N)c2nc(-c3cc(C)cc(C)c3OC)cs2)cc(OC)c1OC 2331371836 KXLPPYQFJJZQLP-UHFFFAOYSA-N 452.532 5.411 50 10 JKGE CCOc1ccc(-c2csc(C(C#N)=C(O)Cc3ccccc3[N+](=O)[O-])n2)c(OCC)c1 2331387007 NIGXVQDAFZBINO-UHFFFAOYSA-N 451.504 5.551 50 10 JKGE COc1ccc(OC)c(-c2csc(C(C#N)=Cc3ccc(OCc4ccc(C)cc4)cc3)n2)c1 2331450387 CBTVKTDBIONRKL-UHFFFAOYSA-N 468.578 6.779 50 10 JKGE C[C@@H](Cl)c1nc2cc(Br)c(Br)cc2n1C[C@@H]1C[C@@H]1Br 2333607911 IITXAPWTPRBYQA-CSMHCCOUSA-N 471.418 5.645 50 10 JKGE Fc1cc(C[C@@H](Cl)c2cc(Br)ccc2OCc2ccccc2)ccc1Cl 2336042961 BXWLDRFCHMOQQR-LJQANCHMSA-N 454.166 7.343 50 10 JKGE Cc1cc(Br)c(F)c(Br)c1[C@@H](Br)C1(C)CC(F)(F)C1 2339651869 SYVLYQMYYQIWFE-LLVKDONJSA-N 464.945 6.531 50 10 JKGE Cc1cc(Br)c(F)c(Br)c1[C@H](Br)[C@]12CCC[C@H]1CC2 2339659757 WILOVTGTWTVUDF-LNHVQRHZSA-N 455.003 6.675 50 10 JKGE Cc1cc(Br)c([C@@H](Br)[C@H]2C[C@@H](C(F)(F)F)C2)cc1Br 2352758528 JCEXZPOLBKGOGM-SXMVTHIZSA-N 464.945 6.545 50 10 JKGE FC1(F)[C@H]2C[C@H]([C@H](Br)Cc3cc(Br)cc(Br)c3)CC[C@H]21 2360170199 SPDALLVMNQZGQZ-WBMYTEFPSA-N 472.993 6.199 50 10 JKGE Fc1c(Br)cc(Cl)c([C@H](Br)C23CCC(CC2)OC3)c1Br 2362232341 MXKNKYLQOWUDPE-OFBKNLNESA-N 491.420 6.399 50 10 JKGE Fc1c(Br)cc(Cl)c([C@H](Br)C[C@@H]2CCCOCC2)c1Br 2362246667 CETNKHWWJCCSGP-RKDXNWHRSA-N 493.436 6.647 50 10 JKGE Cc1ccc(C)c([C@@H](Br)c2c(C)cc(Br)c(F)c2Br)c1 2365181336 VQMOUEWOYNRKIK-CQSZACIVSA-N 464.998 6.760 50 10 JKGE COc1c(Br)cc(C)c([C@@H](Br)C(C)(C)CC(F)F)c1Br 2365192795 DQBMJRZYYQAFNZ-CYBMUJFWSA-N 478.997 6.646 50 10 JKGE COc1c(Br)cc(C)c([C@H](Br)[C@]23CCOC[C@@H]2C3)c1Br 2365220321 UZISUGITFSCNTD-LNHVQRHZSA-N 469.011 5.391 50 10 JKGE FC(F)(F)[C@H]1[C@@H](Br)CCCN1Cc1cc(Cl)ccc1I 2370283663 FDQJBEJAGUFSSA-CMPLNLGQSA-N 482.509 5.235 50 10 JKGE CC1(C)CC(CBr)(CN2CCCC[C@H]2C(F)(F)CNC(=O)OC(C)(C)C)C1 2371132290 ZEADRSBCQQSITQ-HNNXBMFYSA-N 453.412 5.202 50 10 JKGE CC(C)(C)OC(=O)Nc1cccc([S@](C)(=O)=NC[C@@](C)(CBr)C(C)(C)C)c1 2380169108 QUMWWKJODNYAQI-HRFSGMKKSA-N 461.466 5.938 50 10 JKGE Cc1ccc(NC(=O)/C(C#N)=C/c2c(C)n(Cc3ccc([N+](=O)[O-])cc3)c3ccccc23)cc1 2305895 GWKUEQXLWLGKTE-RCCKNPSSSA-N 450.498 5.760 50 10 JKGE O=C(NC1CCCCCC1)[C@@H](c1ccc(Cl)cc1)N(Cc1ccc2c(c1)OCO2)C(=O)CCl 3038784 JYSOVKRZQXRTBQ-XMMPIXPASA-N 491.415 5.216 50 10 JKGE Cc1ccc(C)c(CS/C(Nc2ccccc2F)=C(/C#N)S(=O)(=O)c2ccccc2)c1 12437531 UYLMVUOXPRHGLD-VHXPQNKSSA-N 452.576 5.954 50 10 JKGE COc1cc(/C=C(\C#N)c2ccc(C)cc2)cc(Br)c1OCc1ccccc1Cl 14131069 HRSOTXBPQCNJLQ-RGVLZGJSSA-N 468.778 7.063 50 10 JKGE Cc1cc([N+](=O)[O-])ccc1NC(=O)/C(C#N)=C\c1cc(Br)ccc1OCc1ccccc1 33929950 AMFCZQLQROZLBI-UNOMPAQXSA-N 492.329 5.790 50 10 JKGE CCCCN1C(=O)C(C#N)=C(C)/C(=C\c2ccc(OCc3ccccc3Cl)c(OCC)c2)C1=O 38603729 GKJKYMBCRSDLSG-KGENOOAVSA-N 478.976 5.710 50 10 JKGE CCCCOc1ccccc1C(=O)Oc1ccc2c(c1)OC(N)=C(C#N)[C@@H]2c1ccc(C)cc1 38649312 YMXBTTJBEASQDM-AREMUKBSSA-N 454.526 5.611 50 10 JKGE COc1ccccc1[C@@H]1C(C#N)=C(N)Oc2cc(OC(=O)COc3cc(C)c(Cl)c(C)c3)ccc21 38650052 ICKXRBHATGZXQA-VWLOTQADSA-N 490.943 5.168 50 10 JKGE C=CCOc1ccc(C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@H]3c2cccc3ccccc23)cc1 38657818 DAMOWOUODSFVKG-NDEPHWFRSA-N 474.516 5.842 50 10 JKGE N#C/C(=C\c1ccc(-c2ccc([N+](=O)[O-])cc2Cl)o1)C(=O)Nc1ccc(C(F)(F)F)c(Cl)c1 39884877 OEEXISUBBHUUKC-YRNVUSSQSA-N 496.228 6.726 50 10 JKGE N#C/C(=C\c1ccc(-c2cccc(Cl)c2Cl)o1)c1nc(-c2ccc([N+](=O)[O-])cc2)cs1 39885076 FPVBJSUKIUUKHJ-GXDHUFHOSA-N 468.321 7.349 50 10 JKGE CCOc1cccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)[C@@H](C)Oc4ccc(CC)cc4)ccc32)c1 40530190 VSOSZXIJIMMJCE-CLYVBNDRSA-N 484.552 5.239 50 10 JKGE COc1cc(/C=C(\C#N)c2ccc(Cl)cc2)ccc1OC(=O)COc1ccc(C)cc1C(C)(C)C 40840719 FOLRRZFTUJHWBY-PXLXIMEGSA-N 489.999 7.003 50 10 JKGE O=C(N/N=C/c1cn(Cc2ccc(Cl)c(Cl)c2)c2ccccc12)c1cc2ccccc2o1 59304291 LSMQFSPZPKVUPW-XODNFHPESA-N 462.336 6.507 50 10 JKGE CCc1ccc(NC(=O)/C(C#N)=C/c2cc(C)n(-c3cccc(I)c3)c2C)cc1 96476456 XUJXYUOTIFIJOO-DEDYPNTBSA-N 495.364 5.807 50 10 JKGE COc1ccc(/C=C(/C#N)C(=O)Nc2cccc3ccccc23)cc1COc1ccc(C(C)(C)C)cc1 98063436 LPNHOUDHRFXIPB-MOHJPFBDSA-N 490.603 7.271 50 10 JKGE CCS/C=C(/NC(=O)c1ccc(C)cc1)[P+](c1ccccc1)(c1ccccc1)c1ccccc1 100994615 OFNORTHMEYKHPO-FAJYDZGRSA-O 482.609 6.271 50 10 JKGE COc1c(Br)cc(Cl)cc1[C@@H](Br)c1ccccc1Br 109836403 SKQBFZYRDRTJGU-ZDUSSCGKSA-N 469.398 6.358 50 10 JKGE CC(C)CCC[C@H](C)[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@@]21C 118920942 XOLVVFSHDULKRS-JTXAPHOZSA-N 477.173 8.567 50 10 JKGE COc1ccc(F)cc1[C@@H](Br)c1cc(Br)c(Br)s1 128865340 XHCDUFCBUBBWIR-LLVKDONJSA-N 458.972 5.905 50 10 JKGE Clc1cc2c(cc1[C@@H](Br)c1cc(Br)ccc1Br)OCCO2 161090783 YQSZLTLPWZZPPX-HNNXBMFYSA-N 497.408 6.121 50 10 JKGE CCOc1ccc(-c2nn(-c3ccccc3)cc2/C=C2\C(=O)N(C(C)C)C(=O)C(C#N)=C2C)c(C)c1 214248088 YVEKNEFAORWLFT-MYYYXRDXSA-N 480.568 5.247 50 10 JKGE Cc1cccc([C@H](Cl)c2csc3c(Br)cccc23)c1I 236011969 OFKTZCBBKREZMX-AWEZNQCLSA-N 477.592 6.905 50 10 JKGE Cc1cc(Br)c(OCc2ccc(C(=O)NN=Cc3ccc[nH]3)cc2)c(Br)c1 254302984 OKCDKESLNZVCFU-UHFFFAOYSA-N 491.183 5.191 50 10 JKGE CC(=NNC(=O)c1cc(-c2ccc(C)c(C)c2)nc2ccccc12)c1cccc(NS(C)(=O)=O)c1 254372059 NQHBZXIAJUQNGK-UHFFFAOYSA-N 486.597 5.044 50 10 JKGE Cc1cc(C=NNC(=O)Cc2ccc(C(F)(F)F)cc2[N+](=O)[O-])c(C)n1C1CCCCC1 254401965 FHWJEMUSKPYGFK-UHFFFAOYSA-N 450.461 5.230 50 10 JKGE CC(C)(C)c1ccc(OCCn2cc(C=NNC(=O)Nc3ccccc3)c3ccccc32)cc1 254898564 VHTBOAXRKCSDEZ-UHFFFAOYSA-N 454.574 6.173 50 10 JKGE CC(C)[Si](OC[C@@H]1OC=C[C@H](O[Si](C(C)C)(C(C)C)C(C)C)[C@H]1O)(C(C)C)C(C)C 256012836 YDOYFAHLHUEGEN-KMDXXIMOSA-N 458.832 7.013 50 10 JKGE C[C@H]1[C@H](n2c(CCl)nc3cc(I)c(F)cc32)CCN1Cc1ccccc1 311594716 DXMPOPZGDACGFQ-SCLBCKFNSA-N 483.756 5.354 50 10 JKGE Cc1cc(Br)c([C@@H](Br)Cc2cccc(Br)c2)cc1Cl 311945925 IRFWJWFKTCHHDA-AWEZNQCLSA-N 467.426 6.852 50 10 JKGE CCCOc1ccc([C@H](Br)c2cc(Br)oc2C)cc1Br 396613808 UWZMFVUXDWRGGM-HNNXBMFYSA-N 466.995 6.386 50 10 JKGE Fc1cc(Br)c([C@H](Br)c2cc(Cl)cc(Br)c2)c(F)c1F 398651094 BQVINMGHHIWRIV-LLVKDONJSA-N 493.342 6.767 50 10 JKGE CC(C)(C)[Si](C)(C)OCCc1cccc([C@H]2CCCCN(CCO[Si](C)(C)C(C)(C)C)C2)c1 616628740 QRRXCKDFTPZBMR-SANMLTNESA-N 491.909 7.842 50 10 JKGE Cc1c(NC(=O)OC(C)(C)C)cc(Br)c2nc(CCl)c(Br)n12 669369483 WJEUZKZRWKYSEB-UHFFFAOYSA-N 453.562 5.254 50 10 JKGE Fc1ccc([C@H](Br)c2ccc(F)c(Br)c2F)cc1Br 691637529 WKUJNORSHNFSPG-NSHDSACASA-N 458.897 6.113 50 10 JKGE C[C@H](Cl)c1nc2cc(I)ccc2n1C[C@H]1CN(Cc2ccccc2)C[C@@H]1C 708572810 GJBYQDBAZPCMHU-XYJFISCASA-N 493.820 5.709 50 10 JKGE O=C(Cn1cnc2ccccc21)NN=Cc1cc(Br)ccc1OCc1ccccc1Cl 1084062177 ZJYLTNRJJHVBHV-UHFFFAOYSA-N 497.780 5.182 50 10 JKGE CCCN(CCC)c1ccc(C(=O)NN=Cc2cc(Br)cc(Br)c2O)cc1 1084184139 HAZFIFKRPIBITD-UHFFFAOYSA-N 497.231 5.308 50 10 JKGE CCOc1cc(/C=C(/C#N)C(=O)Nc2ccc(Cl)c(Cl)c2)ccc1OCc1ccc(C)cc1 1084335824 VCMCZTMFJBTBSK-NDENLUEZSA-N 481.379 6.825 50 10 JKGE Cc1c(C(=O)Nc2cc(Cl)ccc2Cl)oc2c1C(=NNC(=O)c1cccs1)CCC2 1772749359 LYDLEIKBIYQQII-UHFFFAOYSA-N 462.358 5.679 50 10 JKGE N#CC1=C(N)Oc2c(c(-c3ccccc3)nn2Cc2cccc(Cl)c2)[C@@H]1c1cccc2ccccc12 1865682196 IOPCZKUOIMBJND-AREMUKBSSA-N 488.978 6.623 50 10 JKGE CCCOc1ccc([C@@H]2C(C#N)=C(N)Oc3c2c(CCC)nn3-c2ccc(OC)cc2)cc1OCC 1865688386 QVZXNFBODOWVHC-RUZDIDTESA-N 488.588 5.239 50 10 JKGE CCCCOc1ccc([C@H]2C(C#N)=C(N)Oc3c2c(-c2ccccc2)nn3Cc2ccccc2F)cc1 1865690435 RAOLHQVAXJROHD-SANMLTNESA-N 494.570 6.135 50 10 JKGE COc1ccc(-c2nn(Cc3cc(C)ccc3C)c3c2[C@@H](c2cccs2)C(C#N)=C(N)O3)cc1 1865697810 CGUOZGFOTUJKSH-HSZRJFAPSA-N 468.582 5.504 50 10 JKGE Cc1ccc(Cn2nc(C)c3c2OC(N)=C(C#N)[C@@H]3c2ccc(OCc3ccccc3C)cc2)cc1 1865703403 VEUMVPZKLRACSI-NDEPHWFRSA-N 476.580 5.654 50 10 JKGE CCCc1nn(Cc2cccc(Cl)c2)c2c1[C@H](c1ccc(C(F)(F)F)cc1)C(C#N)=C(N)O2 1865710721 GESTZOBABBASEL-HXUWFJFHSA-N 472.898 5.774 50 10 JKGE CCCOc1ccc(/C=N\NC(=O)c2ccc(-c3ccc(F)cc3F)nc2C)cc1OCC 1865760844 RKIWNAFTAYFHGD-MBTHVWNTSA-N 453.489 5.287 50 10 JKGE Cc1cccc(-c2nc(CC(=O)N[C@@H](C(=O)Nc3ccc(SC#N)cc3)c3ccccc3)c(C)o2)c1 1866649281 XXKRRHRWVOKJOZ-AREMUKBSSA-N 496.592 5.570 50 10 JKGE CCCC[C@H](NC(=O)Cc1nc(-c2cccc(C)c2)oc1C)C(=O)Nc1ccc(SC#N)cc1 1866650653 UEGYKGGPKCWLMM-QFIPXVFZSA-N 476.602 5.388 50 10 JKGE CC[C@@H](NC(=O)C[C@@H](c1ccccc1)c1ccc(F)c(F)c1)C(=O)Nc1ccc(SC#N)cc1 1867132216 PWRRBAOIWLGDKB-XUZZJYLKSA-N 479.552 5.593 50 10 JKGE CC(C)c1nc(Nc2ccc(SC#N)cc2)cc(N2CCC[C@@H]2c2nc3c([nH]2)CCCC3)n1 1868231853 UMFRMDNMQSYRLJ-OAQYLSRUSA-N 459.623 5.860 50 10 JKGE CCCCCCCCCOc1ccc(/C=C(\C#N)c2nc3ccccc3n2C)cc1Br 1872726973 WGNASTHDDLDUIW-HEHNFIMWSA-N 480.450 7.529 50 10 JKGE CC(C)OC(=O)c1ccc(/C(C#N)=C/c2ccccc2OCc2ccc(Cl)cc2Cl)o1 1872728788 UJLMMHUATXQKIE-WOJGMQOQSA-N 456.325 6.795 50 10 JKGE COc1ccc(-c2csc(/C(C#N)=C(\O)[C@H]3CC(=O)N([C@H](C)c4ccccc4)C3)n2)cc1C 1872746613 PTYWFEIYAORJSR-SUPGUOFJSA-N 459.571 5.530 50 10 JKGE CCc1cccc(CC)c1N1C[C@H](/C(O)=C(\C#N)c2nc(-c3ccc([N+](=O)[O-])cc3)cs2)CC1=O 1872747017 KIQQHTLLMSWHER-FPOCJBQTSA-N 488.569 5.689 50 10 JKGE Cc1ccc(C)c(OC/C(O)=C(\C#N)c2nc(-c3ccc(Oc4ccccc4)cc3)cs2)c1C 1872753890 SCEFBWGBXYABMJ-LCUIJRPUSA-N 468.578 7.399 50 10 JKGE COc1cc(C)c(-c2csc(/C(C#N)=C/c3ccccc3OCc3ccccc3Cl)n2)cc1C 1872795125 OPGFYWDBTQFTAP-HYARGMPZSA-N 487.024 7.732 50 10 JKGE CN(C[C@H]1C[C@H](Br)C1)C(=O)c1cc(Cl)c(NC(=O)OC(C)(C)C)c(Cl)c1 1887823383 MWLRCJMKKAVPQI-UMSPYCQHSA-N 466.203 5.586 50 10 JKGE Cc1cc(Br)c(S(=O)(=O)N(Cc2ccccc2)[C@@H](C)CCl)cc1Br 1914349343 XSLFBICBAUJTNF-ZDUSSCGKSA-N 495.664 5.338 50 10 JKGE Clc1c(Br)sc(Br)c1[C@@H](Cl)c1cccc2ccsc12 1923038302 IRJZMQVFMXFHHL-VIFPVBQESA-N 457.039 7.469 50 10 JKGE CC[C@@H](CC(C)C)[C@@H](Br)c1c(Br)sc(Br)c1Cl 1923047826 DSXFYXZQIWIFNM-IONNQARKSA-N 467.492 7.435 50 10 JKGE CCc1ccsc1[C@H](Cl)c1c(Br)sc(Br)c1Br 1924583484 KPWZLMPTMLJQPZ-MRVPVSSYSA-N 479.484 6.988 50 10 JKGE Cc1cc(Br)sc1[C@H](Br)c1cccc(I)c1 1939447516 VGRHLKRBLUIOKQ-LLVKDONJSA-N 471.983 5.908 50 10 JKGE FC1(F)CCC([C@H](Br)c2sc(Br)cc2Br)CC1 2008370890 OGOBWDCPCJEDRO-VIFPVBQESA-N 452.984 6.535 50 10 JKGE C[C@]12C[C@]([C@H](Cl)c3c(Br)sc(Br)c3Br)(CO1)C2 2023847720 VVDQBAKVZVZOFF-AVPPRXQKSA-N 465.432 5.885 50 10 JKGE CCc1cc(Br)c([C@H](Cl)c2ccc(Br)cc2Br)s1 2029238128 FMGSXNYEUOPMKI-GFCCVEGCSA-N 473.455 6.926 50 10 JKGE FC(F)(F)c1csc([C@@H](Cl)c2cscc2OCc2ccccc2)c1Br 2038686803 SZGBQUNFIVZMGS-HNNXBMFYSA-N 467.759 7.498 50 10 JKGE Cc1sc(Br)c([C@H](Br)c2ccc(F)c(Br)c2)c1C 2039501399 WKLRJRYZNCNQPY-GFCCVEGCSA-N 457.000 6.513 50 10 JKGE Cc1c([C@H](Cl)c2cc(Br)ccc2Br)nn(C)c1Br 2049258189 LMWYUUVXKVMKHI-SNVBAGLBSA-N 457.391 5.344 50 10 JKGE CC(C)(C)c1cc(-n2nc(CBr)c(I)c2C(F)(F)F)ccn1 2078926642 JOZSUVWQZOSGTP-UHFFFAOYSA-N 488.089 5.083 50 10 JKGE Cc1cc(Cl)c(Br)cc1[C@@H](Br)c1cc(Br)c(Cl)s1 2082377963 WCGUISSSYPBSEG-LLVKDONJSA-N 493.873 7.373 50 10 JKGE Cc1c([C@H](Cl)c2ccc(Br)cc2Br)c(Br)nn1C 2083319577 AGEZJCXJJDXZOY-LLVKDONJSA-N 457.391 5.344 50 10 JKGE BrC[C@]1(Cc2cccc(Br)c2Br)CCO[C@H]1C1CC1 2092335760 QGRYUTQLQFGUPE-LSDHHAIUSA-N 453.012 5.334 50 10 JKGE C[C@@H]1Cc2cc(Br)cc([C@@H](Br)c3cscc3OCc3ccccc3)c2O1 2100093580 NXKVQMHPLFLPOT-ZUOKHONESA-N 494.248 6.897 50 10 JKGE Clc1ccc(I)c(C[C@@H]2C[C@H](Br)CC3(CCC3)C2)c1 2127185512 GJGHTZITJZULAW-YPMHNXCESA-N 453.589 6.221 50 10 JKGE Clc1sc(Br)c(Cl)c1[C@H](Br)c1scc2c1CCCC2 2130575597 FGQIDLBTJNHFRC-VIFPVBQESA-N 461.071 7.242 50 10 JKGE C[C@H](Cl)C[C@H]1CCCCCN1c1ncc(I)cc1Br 2133372168 MKXVBYUJWGYIPA-CMPLNLGQSA-N 457.581 5.215 50 10 JKGE Brc1ccc([C@@H](Br)c2ccc3nsnc3c2)c(Br)c1 2138870539 JNFLFLYJOXGGPS-ZDUSSCGKSA-N 462.992 5.701 50 10 JKGE Cc1c(F)ccc([C@H](Cl)c2ccc(Br)cc2I)c1C 2142278415 CIFKAFHJFDACCX-HNNXBMFYSA-N 453.520 6.138 50 10 JKGE Fc1cccc([C@H](CBr)Cc2ccc(I)c(Cl)c2)c1 2142939887 KAQJZRLQVOIFJF-LBPRGKRZSA-N 453.520 5.805 50 10 JKGE CC(C)(C)c1ccc([C@@H](Br)c2cccc(Br)c2Br)cc1 2148750951 ODDDQPPQPGZIBU-OAHLLOKOSA-N 461.035 6.993 50 10 JKGE O=C(N[C@H](CCBr)C1CCCCC1)c1csc(Br)c1Br 2150344921 WRLXKKJLVFHMMF-LLVKDONJSA-N 488.083 5.737 50 10 JKGE COc1cc(F)c(Br)cc1[C@H](Cl)c1c(Br)cccc1Br 2150492828 FOXHKYPKHAACHX-AWEZNQCLSA-N 487.388 6.450 50 10 JKGE ClCc1nc2ccccc2n1-c1cc(Br)c(Br)c(Br)c1 2151780611 RGOQWVDMPDZTBG-UHFFFAOYSA-N 479.397 6.052 50 10 JKGE C[C@@H](Cl)c1nc2cc(Cl)c(Br)cc2n1[C@H]1CCCN(Cc2ccccc2)C1 2168999712 WRGYOFAHJFENLM-ZBFHGGJFSA-N 467.238 6.589 50 10 JKGE C[C@H](Cl)c1nc2cc(Cl)c(Br)cc2n1[C@]12C[C@@H]1CN(Cc1ccccc1)C2 2169016531 BHGQGWZIKNWIJY-KUUHDYPXSA-N 465.222 5.983 50 10 JKGE O=C(NCC[C@H]1CCCC[C@H]1Br)c1ccc(Br)cc1Br 2179635433 LWRLIHSZTBTAGQ-ZWNOBZJWSA-N 468.027 5.285 50 10 JKGE CCCC(CBr)(CCC)CN=[S@@](C)(=O)[C@H]1C[C@H](CNC(=O)OC(C)(C)C)C1 2192626858 RFAUBTDJENDFRI-FXUCQVAHSA-N 467.514 5.369 50 10 JKGE Brc1cc(Br)c(OC[C@H]2C[C@H](Br)C2)c(CNC2CC2)c1 2196905863 VXAOHVKUESMIDG-HOMQSWHASA-N 468.027 5.016 50 10 JKGE Cc1cc(Br)c(C)c([C@@H](Br)C2CCC(C)(C)CC2)c1Br 2201073441 OWTOKNPLHAGIJB-INIZCTEOSA-N 467.083 7.481 50 10 JKGE COc1cc(Br)ccc1[C@H](Cl)c1ccc(Br)c(C)c1Br 2203685832 RPLMMQAVIRUUIZ-HNNXBMFYSA-N 483.425 6.619 50 10 JKGE COc1c(C)cc(Br)cc1[C@@H](Cl)c1ccc(I)c(C)c1 2207098012 SSJIVHRXILKQNY-HNNXBMFYSA-N 465.556 6.007 50 10 JKGE Fc1cccc(C[C@@H](CBr)Cc2ccc(I)c(Cl)c2)c1 2208042050 BMDXMFNUTVUJEB-CYBMUJFWSA-N 467.547 5.880 50 10 JKGE Cc1ccc(I)c(C(=O)N(Cc2ccccc2)[C@@H](C)CCBr)c1 2212707077 LLHDCJWVYGLQLY-HNNXBMFYSA-N 486.191 5.416 50 10 JKGE COc1ccc(C(=O)N(Cc2ccccc2)C(C)(C)CBr)c(Br)c1 2217374108 BEUMCCVRPWVPMF-UHFFFAOYSA-N 455.190 5.274 50 10 JKGE Cc1ccc([C@H](Br)c2c(Br)cc(Cl)c(Cl)c2Cl)c(Cl)c1 2232508760 AUKCODPGXSLOQY-LBPRGKRZSA-N 477.838 7.855 50 10 JKGE Clc1cc(Br)c([C@@H](Br)c2cc3cscc3s2)c(Cl)c1Cl 2232515976 FBSZQDJWXRQOPK-NSHDSACASA-N 491.484 8.170 50 10 JKGE Fc1cc(F)c([C@H](Br)c2cc(Br)c(Br)cc2F)cc1Cl 2233982019 QDUNFALXIGHZTE-CYBMUJFWSA-N 493.342 6.767 50 10 JKGE Fc1cc(Br)ccc1C[C@@H](Cl)c1cc(Br)c(Br)cc1F 2233988176 LKBRCCOGOPHYKG-GFCCVEGCSA-N 489.379 6.775 50 10 JKGE COc1cc(Br)c([C@@H](Br)Cc2cccc(Br)c2)cc1C 2236015084 ZDAIPZGLPZJFPT-AWEZNQCLSA-N 463.007 6.207 50 10 JKGE C[C@@H](Cl)c1nc2ncccc2n1-c1ccc(Br)cc1I 2240007080 PGTXPKKHUOWBFT-MRVPVSSYSA-N 462.516 5.087 50 10 JKGE C[C@H](c1ccncc1Br)[C@@H](Br)c1scc(Br)c1Cl 2253596256 ARJMLYWXVBWJFN-LHLIQPBNSA-N 474.443 6.561 50 10 JKGE CN(Cc1ccc(I)cc1)c1c(Cl)cccc1CBr 2265604842 XAOGWTMURDWRIY-UHFFFAOYSA-N 450.545 5.476 50 10 JKGE CC(C)(C)c1ccc([C@H](Br)c2c(F)cccc2I)s1 2267738337 JHKDWQNPKAOZLN-AWEZNQCLSA-N 453.158 6.274 50 10 JKGE CC[C@H](CC(C)C)[C@H](Br)c1c(F)cc(Br)c(F)c1Br 2272853943 MKLXEBVTGFCHAN-PELKAZGASA-N 462.998 6.998 50 10 JKGE CC1(C)OCCC[C@H]1[C@@H](Br)Cc1cc(Br)cc(Br)c1 2277952914 LKWXASXHOCRPFE-KBPBESRZSA-N 455.028 5.723 50 10 JKGE C[C@@H](C1CCCCC1)[C@@H](Br)Cc1cc(Br)cc(Br)c1 2277965819 NMYISJVWMGVQAF-ZBEGNZNMSA-N 453.056 6.734 50 10 JKGE COc1cc(OC)c([C@@H](Br)c2cccc(I)c2)cc1Cl 2279136499 DPIRFULBFOPVNX-HNNXBMFYSA-N 467.528 5.446 50 10 JKGE Fc1cccc(I)c1[C@@H](Cl)c1cc(Cl)c(Cl)c(Cl)c1Cl 2282787491 QSTMRULPTRLQNE-JTQLQIEISA-N 484.350 7.372 50 10 JKGE COc1cc(F)c(Br)cc1[C@@H](Cl)c1c(F)cccc1I 2282892726 DUARMEZTYYJTJV-CQSZACIVSA-N 473.482 5.669 50 10 JKGE CC1(C)CCC([C@@H](Br)c2c(F)cc(Br)c(F)c2Br)CC1 2288346422 YGYCVTSSKZHSGE-GFCCVEGCSA-N 475.009 7.142 50 10 JKGE Fc1cc(Br)c(F)c(Br)c1[C@@H](Br)[C@@H]1CC12CC(F)(F)C2 2288483224 HWPHQAAIMWIWJX-CDUCUWFYSA-N 480.919 6.361 50 10 JKGE COc1cc(C=CC(=O)Cl)cc(I)c1OCc1ccc(Cl)c(Cl)c1 2293941013 UJPCDVHOSPTMFQ-UHFFFAOYSA-N 497.543 5.964 50 10 JKGE COc1c(Br)cc(Cl)c(C)c1[C@H](Br)c1cc(Cl)sc1Cl 2295273389 YJVJSWFUYLBTEU-LLVKDONJSA-N 479.448 7.272 50 10 JKGE CCCOc1ccc(-c2nn(-c3ccccc3)cc2C=C(C#N)C(=O)NCc2ccccc2)cc1 2296728704 HCQJLIWYEYSGMF-UHFFFAOYSA-N 462.553 5.551 50 10 JKGE Cc1cccc(C[C@H]2SC(=C(C#N)C(=O)c3c[nH]c4ccccc34)N(c3ccccc3)C2=O)c1 2296837795 GEKLLKZHXSSATN-RUZDIDTESA-N 463.562 5.786 50 10 JKGE Cc1ccc([N+](=O)[O-])cc1NC(=O)C(C#N)=Cc1ccc(-c2ccc(Br)cc2)o1 2297306979 SYEGAEGLXSAVPK-UHFFFAOYSA-N 452.264 5.471 50 10 JKGE N#CC(=Cc1cc(Br)ccc1OCc1ccccc1)C(=O)Nc1ccc([N+](=O)[O-])cc1 2297551321 AIOFWWVOSYYNMM-UHFFFAOYSA-N 478.302 5.482 50 10 JKGE Brc1cc(OCc2ccccc2)ccc1[C@H](Br)[C@@H]1CC12CCCC2 2299512483 ZTNSQBNJDOKHIE-ICSRJNTNSA-N 450.214 7.044 50 10 JKGE Cn1nc([C@H](Cl)c2cc(Br)ccc2OCc2ccccc2)cc1Br 2299525427 NQTPXMQYADEUML-GOSISDBHSA-N 470.592 5.852 50 10 JKGE Cc1c(Cl)sc(Cl)c1[C@H](Br)c1ccccc1I 2299543059 PUCURCGRLCRXGE-SNVBAGLBSA-N 461.977 6.452 50 10 JKGE Clc1cc(I)c([C@@H](Cl)c2ccc(Cl)c(Br)c2)s1 2300955195 IJLZTICCZKFKQX-JTQLQIEISA-N 482.395 6.750 50 10 JKGE C=CCc1cc(C=C(C#N)C(=O)Nc2ccc(C)cc2)cc(OCC)c1OCc1ccc(F)cc1 2313568764 WYGBVOAIZHDCNJ-UHFFFAOYSA-N 470.544 6.386 50 10 JKGE N#CC(=Cc1cc(Br)ccc1OCc1ccccc1F)C(=O)Nc1ccc(F)cc1 2313630761 RPNBSNCKDJHYGQ-UHFFFAOYSA-N 469.285 5.852 50 10 JKGE COc1cc(C=C(C#N)C(=O)Nc2sc3c(c2C#N)CCCC3)ccc1OCc1cccc(C)c1 2313630833 VUNUHGSQMJUCRX-UHFFFAOYSA-N 483.593 5.940 50 10 JKGE Cc1ccc(C(C)C)c(Oc2nc3ccccn3c(=O)c2C=C(C#N)c2nc3ccccc3n2C)c1 2314436988 WSOBHLMRWYMZKO-UHFFFAOYSA-N 475.552 5.870 50 10 JKGE CC1CC2(C1)CC([C@H](Br)c1ccc(OCc3ccccc3)cc1Br)C2 2314445244 QQLDXTLMCVKUJQ-KDFRNIBPSA-N 464.241 7.290 50 10 JKGE CCOCCCN1C(=O)C(=Cc2ccc(-c3ccc(Cl)c(Cl)c3)o2)C(C)=C(C#N)C1=O 2314618234 JZQCHKWTLUNQAR-UHFFFAOYSA-N 459.329 5.272 50 10 JKGE COc1cccc(C=NNC(=O)c2ccc3[nH]c4c(c3c2)CCCC4)c1OCc1ccccc1 2323149458 ZYMHQZVPHVPCKC-UHFFFAOYSA-N 453.542 5.398 50 10 JKGE CCc1ccc(-c2csc(C(C#N)=C(O)C(=Cc3ccc(OC)c(OC)c3)c3ccccc3)n2)cc1 2331245815 XGVDNJQKDFMPDU-UHFFFAOYSA-N 494.616 7.423 50 10 JKGE CCOc1cc(C(O)=C(C#N)c2nc(-c3ccccc3OC)cs2)cc(OCC)c1OCC 2331281765 PEVVYWBAJVCUBH-UHFFFAOYSA-N 466.559 5.965 50 10 JKGE N#CC(=C(O)c1ccc(N2CCCC2)c([N+](=O)[O-])c1)c1nc(-c2ccc(F)cc2F)cs1 2331293051 LIZVTWKPBNTLFK-UHFFFAOYSA-N 454.458 5.547 50 10 JKGE Cc1ccc(C)c(N2C(=O)c3ccc(C(O)=C(C#N)c4nc(-c5cccs5)cs4)cc3C2=O)c1 2331326145 GNQRKGXNSSPZAE-UHFFFAOYSA-N 483.574 6.239 50 10 JKGE COc1cc(C=CC(O)=C(C#N)c2nc(-c3cccs3)cs2)cc(Br)c1OC 2331326612 LIVYIUCYFCKAPE-UHFFFAOYSA-N 475.389 6.157 50 10 JKGE CCc1cccc(CC)c1N1C[C@@H](C(O)=C(C#N)c2nc(-c3ccc(F)cc3)cs2)CC1=O 2331343716 NCVWSOFPYMGCIJ-IBGZPJMESA-N 461.562 5.920 50 10 JKGE COc1ccc(CC(O)=C(C#N)c2nc(-c3cc(Cl)cc(C)c3OC)cs2)cc1OC 2331392025 HIOGEOVFBOTSHE-UHFFFAOYSA-N 456.951 5.833 50 10 JKGE COc1c(Cl)cc(-c2csc(C(C#N)=C(O)[C@@H](C)Oc3ccc(Cl)cc3)n2)cc1Cl 2331397483 HRJANIXTVSXIDR-LLVKDONJSA-N 481.788 7.039 50 10 JKGE Cn1cc(Cl)c([C@H](Br)c2c(Cl)cc(Br)c(F)c2Br)n1 2337084947 RQSVPGKRLNBIPH-SECBINFHSA-N 495.799 5.875 50 10 JKGE CC[C@](C)(C(F)F)[C@@H](Br)c1c(Cl)cc(Br)c(F)c1Br 2337089015 SUEPSPNXVQVCAL-JQWIXIFHSA-N 487.379 7.122 50 10 JKGE C[C@@H]1CCO[C@@H]1C[C@H](Br)c1c(Cl)cc(Br)c(F)c1Br 2337094749 SGWUJFLDIYDJCP-MATHAZKKSA-N 479.409 6.255 50 10 JKGE CCC(CC)(CC)[C@@H](Br)c1c(Cl)cc(Br)c(F)c1Br 2337096294 GTMKLGZLNBJHMO-ZDUSSCGKSA-N 479.453 7.657 50 10 JKGE Fc1cccc([C@H](Br)CCc2ccc(Cl)c(I)c2)c1 2337219383 SALAOZWDMNEHAI-CYBMUJFWSA-N 453.520 6.153 50 10 JKGE Cc1cc(Br)c(F)c(Br)c1[C@H](Br)C(F)(F)C(F)(F)F 2339649147 SAZXSZFOQQWOLF-QMMMGPOBSA-N 478.850 6.293 50 10 JKGE C[C@H](Br)CN(Cc1ccc(Cl)cc1I)CC(C)(C)C 2341047446 HPERRZSQDBKOOU-NSHDSACASA-N 458.609 5.576 50 10 JKGE ClCCN(Cc1ccc(I)c(Br)c1)c1ccccc1 2349851897 KBCLRGFLMKYJIF-UHFFFAOYSA-N 450.545 5.299 50 10 JKGE FC(F)(F)c1ccc(C(F)(F)F)c(CN(CCCBr)Cc2ccccc2)c1 2362127918 ROCIBKQEOZMFJV-UHFFFAOYSA-N 454.252 6.511 50 10 JKGE C[C@@]1([C@H](Cl)c2c(Cl)cc(Br)c(F)c2Br)CCCC1(F)F 2362231420 FNYZCORZGOADPB-NEPJUHHUSA-N 454.939 7.110 50 10 JKGE CC1(C)CC12CC([C@@H](Br)c1c(Cl)cc(Br)c(F)c1Br)C2 2362241782 ZZTDLBGJTJPLJI-PSYFVYSPSA-N 489.448 7.266 50 10 JKGE CC[C@H](Br)[C@H]1CCCCN1C(=O)c1ccc(Cl)cc1I 2365582973 XRXJJHDZKRGIPL-GXTWGEPZSA-N 470.576 5.113 50 10 JKGE CC(C)[C@@H](Br)C(C)(C)CNC(=O)c1ccc(Br)cc1Br 2365854008 BZQCXMIZANDXJZ-CYBMUJFWSA-N 470.043 5.387 50 10 JKGE N#C/C(=C/c1ccc(OCc2ccccc2)c(Br)c1)C(=O)Nc1cc([N+](=O)[O-])ccc1F 867451 YEGBQQPHSJAYRA-YVLHZVERSA-N 496.292 5.621 50 10 JKGE N#C/C(=C\c1ccccc1)C(=O)OCC(=O)Nc1nc(-c2ccc(-c3ccccc3)cc2)cs1 3269348 UEYOJVWTVNZMNA-HZHRSRAPSA-N 465.534 5.566 50 10 JKGE Cc1ccc(Cl)cc1N(C(=O)CCl)[C@H](C(=O)N[C@@H]1CCCC[C@@H]1C)c1ccc(Cl)cc1 33910370 YMCQMBMCKPKCSB-NQKDMWHGSA-N 481.851 6.310 50 10 JKGE N#C/C(=C/c1ccc(-c2ccc(Cl)cc2[N+](=O)[O-])o1)C(=O)Nc1cc([N+](=O)[O-])ccc1F 33930433 AXUGJLJAKXSFEE-XFFZJAGNSA-N 456.773 5.101 50 10 JKGE CCOC(=O)/C(C#N)=C1/S[C@@H](Cc2ccc(Cl)cc2Cl)C(=O)N1c1ccc(F)cc1 34890909 VUYGHOZWBJIGGK-CSRGTXSUSA-N 465.333 5.122 50 10 JKGE Cc1ccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)COc4ccc(Cl)c(C)c4)ccc32)cc1 38649249 ALWFNTLDDURBJP-VWLOTQADSA-N 460.917 5.159 50 10 JKGE CCc1ccc(O[C@@H](C)C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@H]3c2ccccc2Cl)cc1 38651087 MNOGKJHJQGDRNY-LMKMVOKYSA-N 474.944 5.493 50 10 JKGE N#CC1=C(N)Oc2cc(OC(=O)c3cc([N+](=O)[O-])ccc3Cl)ccc2[C@@H]1c1ccccc1Cl 38651112 BKCHSLAYEAZABV-NRFANRHFSA-N 482.279 5.339 50 10 JKGE N#CC1=C(N)Oc2cc(OC(=O)Cc3cccc4ccccc34)ccc2[C@H]1c1c(F)cccc1Cl 38680467 WYKJAVXZYBYORF-AREMUKBSSA-N 484.914 5.999 50 10 JKGE CCCOc1cccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)COc4cc(C)cc(C)c4)ccc32)c1 38684463 FYODLUWCCHYNEG-MUUNZHRXSA-N 484.552 5.295 50 10 JKGE N#C/C(=C\c1ccc(-c2c(Cl)cccc2Cl)o1)C(=O)Nc1cc(Cl)ccc1Cl 39884596 DHSRXWZSKOVGDC-DHZHZOJOSA-N 452.124 7.106 50 10 JKGE N#C/C(=C\c1ccc2noc(-c3ccc(Cl)cc3)c2c1)C(=O)Nc1ccccc1C(F)(F)F 39884748 ZGRQVLOJPUNUOZ-LFIBNONCSA-N 467.834 6.713 50 10 JKGE Cc1ccc(NC(=O)c2oc3c(c2C)/C(=N/NC(=O)c2ccccc2F)CCC3)c(Br)c1 40812501 QEOVPKAQQKWZCX-TURZUDJPSA-N 498.352 5.521 50 10 JKGE CCOc1ccc([C@H](O)CCC(=O)N/N=C/c2cc(C)n(-c3cccc(Cl)c3Cl)c2C)cc1 58894479 PNDTYTNYJYTWHL-JSPCPOQUSA-N 488.415 5.764 50 10 JKGE CC[C@@H](C)c1ccc(OCC(=O)NNC(=O)C(C)(C)CCCOc2cc(C)ccc2C)cc1 66201461 FXXMQBUBDNQORM-HXUWFJFHSA-N 454.611 5.229 50 10 JKGE COc1cc(/C=C(/C#N)c2nc3ccccc3s2)ccc1OCC(=O)Nc1ccc(C)cc1 89634987 WUJMATNHQMVECE-UYRXBGFRSA-N 455.539 5.695 50 10 JKGE BrC[C@H](CCOc1ccc(Br)cc1)Cc1ccccc1Br 97185952 NHQXSNWPEVKSMO-CYBMUJFWSA-N 477.034 6.234 50 10 JKGE COc1cc(Br)c([C@H](Br)c2cc(Cl)ccc2Cl)cc1OC 109860306 JFIUZDWFCCBBHR-HNNXBMFYSA-N 454.973 6.257 50 10 JKGE CCOc1ccc([C@@H](Br)c2cc(C)ccc2Br)c(Br)c1 161772050 NDCLMIZLIIKAGU-MRXNPFEDSA-N 463.007 6.403 50 10 JKGE CC(C)(C)c1ccc([C@@H](Br)c2cc(Br)c(Br)s2)s1 165736998 GLJHBRSCLVDYFI-LLVKDONJSA-N 473.093 7.116 50 10 JKGE Fc1ccccc1C(CBr)(CBr)Cc1ccc(Br)cn1 169004698 CQMKYIBOXYXLKY-UHFFFAOYSA-N 465.986 5.254 50 10 JKGE COc1cccc(CN(C(=O)CCl)[C@H](C(=O)N[C@@H]2CCCC[C@@H]2C)c2ccc(Cl)cc2)c1 169691461 ULFMPNOQTDYKIO-YJGRUCBDSA-N 477.432 5.352 50 10 JKGE CCCOc1ccc([C@H](Br)c2ccc(C)c(Br)c2)cc1Br 229009646 OOVYSMJQNMMLHX-QGZVFWFLSA-N 477.034 6.793 50 10 JKGE Cc1ccc([C@H](Br)c2cc(Br)ccc2I)cc1 235909167 QCPXNTFHKDSGMY-AWEZNQCLSA-N 465.954 5.846 50 10 JKGE Clc1ccc(I)c([C@H](Br)c2cccc3ccccc23)c1 236084313 OYHXURPUDBLMAJ-QGZVFWFLSA-N 457.536 6.582 50 10 JKGE Fc1ccc([C@@H](Br)c2cc(F)c(F)cc2Cl)c(I)c1 236175052 OGLCSIOFXPSARO-CYBMUJFWSA-N 461.446 5.846 50 10 JKGE CC(=NNC(=O)c1sc2cccc(Cl)c2c1Cl)c1ccc(NC(=O)C(F)(F)F)cc1 254384579 WSHVJTXPSJHGQS-UHFFFAOYSA-N 474.291 5.863 50 10 JKGE O=C(OCC(=O)N(N=Cc1ccccc1)c1cccc(C(F)(F)F)c1)c1ccc2ncsc2c1 254395874 BVKUFPSGMRBBNG-UHFFFAOYSA-N 483.471 5.539 50 10 JKGE COC(=O)[C@H](C)[C@@H]1CC[C@@H]2[C@@]34CC[C@@]5(C[C@H](OC(=O)c6ccccc6)CC[C@]5(C)C3=CC[C@]12C)OO4 254413572 UUHHCZJOUIVZEG-BDYSZEMBSA-N 494.628 5.807 50 10 JKGE C[C@@H]1[C@H](n2c(CCCl)nc3cc(I)ccc32)CCN1Cc1ccccc1 312018090 VMFNFAYBFJQWJF-DNVCBOLYSA-N 479.793 5.258 50 10 JKGE Fc1cc2c(cc1Br)nc(CCl)n2CCCOCCOCc1ccccc1 390610930 FCEQPUWAAXIBMO-UHFFFAOYSA-N 455.755 5.300 50 10 JKGE CC(C)(C)OC(=O)NCCN1C[C@H](c2ccccc2CO[Si](C)(C)C(C)(C)C)Cc2ccccc21 616674609 VPSNYSANHYALTE-XMMPIXPASA-N 496.768 6.879 50 10 JKGE CC(C)(C)OC(=O)NCCN1CCc2ccccc2[C@H]1c1ccccc1CO[Si](C)(C)C(C)(C)C 616681220 VYQLBRFPEKTELR-SANMLTNESA-N 496.768 6.681 50 10 JKGE O=[N+]([O-])c1ccc(Br)cc1Oc1cc(Br)ccc1CBr 703803475 QHHTUHAFBRZXDJ-UHFFFAOYSA-N 465.923 5.807 50 10 JKGE C[C@]12CN(Cc3ccccc3)C[C@]1(C)CN(c1ccc(Br)cc1CBr)C2 705955866 RARZUPPQWICYFM-FGZHOGPDSA-N 478.272 5.692 50 10 JKGE C[C@@]12CN(Cc3ccccc3)C[C@@]1(C)CN(c1ccc(Br)cc1CBr)C2 705955869 RARZUPPQWICYFM-VXKWHMMOSA-N 478.272 5.692 50 10 JKGE ClCCc1nc2ccc(Cl)cc2n1CC1(N(Cc2ccccc2)Cc2ccccc2)COC1 706663880 YXYCZYGBUJYDPW-UHFFFAOYSA-N 480.439 5.942 50 10 JKGE CN(Cc1cscc1Br)c1ccc(CBr)c(Br)c1 709994463 AXWFBLMHMXQHLB-UHFFFAOYSA-N 454.025 5.804 50 10 JKGE COc1ccc(C)cc1[C@H](Br)c1ccc(I)c(Br)c1 721603476 MGCAAJJEEPGWRQ-OAHLLOKOSA-N 495.980 5.855 50 10 JKGE Fc1cc(C[C@@H](CBr)c2cccc(Br)c2)ccc1Br 721998447 HQPAOLDQQOIBFB-LBPRGKRZSA-N 450.971 6.072 50 10 JKGE C[C@@H](Oc1ccc(Cl)cc1Cl)C(=O)NN=Cc1ccccc1OCc1ccc(C(=O)O)cc1 1084001966 JKLJUVJUAJPATN-OAHLLOKOSA-N 487.339 5.188 50 10 JKGE C=CCc1cc(/C=C(\C#N)C(=O)Nc2cccc(Cl)c2Cl)cc(OC)c1OCc1ccccc1 1084128744 DTNSNKJKZRFVCL-KGENOOAVSA-N 493.390 6.855 50 10 JKGE CCOc1cc(/C=C(/C#N)C(=O)Nc2cccc(C)c2)cc(Cl)c1OCc1ccccc1F 1084128869 JFRSVDULMWMWGY-NDENLUEZSA-N 464.924 6.311 50 10 JKGE CCCCCCCCCCOc1ccc(C(=O)NN=Cc2c3ccccc3cc3ccccc23)cc1 1084578851 JKPVQMVBVWRWHW-UHFFFAOYSA-N 480.652 8.276 50 10 JKGE Cc1c(C(=O)N2c3ccccc3C[C@@H]2C)oc2c1C(=NNC(=O)c1ccc(Cl)cc1)CCC2 1772743845 MASGFHYLKKFEHG-HNNXBMFYSA-N 461.949 5.303 50 10 JKGE C[C@@H](Oc1ccc(C(C)(C)C)cc1)C(=O)NN=Cc1cn(Cc2ccccc2)c2ccccc12 1772755681 CRIFDWNZCRHGHW-OAQYLSRUSA-N 453.586 5.905 50 10 JKGE O=C(ON=C1C(=O)N(Cc2ccc(Cl)c(Cl)c2)c2ccc(Cl)cc21)C(Cl)Cl 1848352937 KGSXWPRWQYGBLW-UHFFFAOYSA-N 466.535 5.245 50 10 JKGE Cc1ccc(-n2nc(C(F)(F)F)c3c2OC(N)=C(C#N)[C@H]3c2ccc(Cl)c(Cl)c2)cc1 1865685539 KBHNLEKSKNVASF-MRXNPFEDSA-N 465.262 5.725 50 10 JKGE COc1ccc(-c2nn(-c3ccc(Cl)cc3)c3c2[C@@H](c2ccc(OC)cc2)C(C#N)=C(N)O3)cc1 1865712805 ILKKRUVSHUPADY-QHCPKHFHSA-N 484.943 5.428 50 10 JKGE CC(C)(C)c1ccc(-c2csc(/C(C#N)=C(O)/C(=C\c3ccccc3)c3ccccc3)n2)cc1 1872750622 IEOPWSSZRQMSOE-DKOHLXJGSA-N 462.618 8.141 50 10 JKGE N#C/C(=C(O)\C=C\c1ccc(Cl)c(Cl)c1)c1nc(-c2ccc(Oc3ccccc3)cc2)cs1 1872753725 KAIDAIMSEUHIPF-WNJHINTHSA-N 491.399 8.415 50 10 JKGE COc1ccc(-c2csc(/C(C#N)=C(\O)CN3C(=O)COc4ccc(Cl)cc43)n2)cc1Cl 1872757454 HENVLGUNPWEPAN-JXAWBTAJSA-N 488.352 5.344 50 10 JKGE CCOc1cc(Br)c([C@H](Br)[C@@H]2C[C@@H]2Br)cc1OCC 1887725637 SYSITFXDWXJCER-IPURGOFSSA-N 457.000 5.466 50 10 JKGE Cl[C@H](CCc1ccc(I)c(Br)c1)COCc1ccccc1 1893241252 GVWNBPHEAXWSGU-OAHLLOKOSA-N 479.583 5.811 50 10 JKGE FC(F)(F)[C@@H]1C[C@H]1C[C@@H](Br)c1sc(Br)cc1Br 1908749378 YDTLUJBSLJLGFZ-KVQBGUIXSA-N 456.947 6.298 50 10 JKGE BrCCCN(Cc1ccccc1)Cc1cccc(Br)c1Br 1914620192 JSBAWDRVNSWEPE-UHFFFAOYSA-N 476.050 5.999 50 10 JKGE CC(C)[C@@H](CBr)N(Cc1ccccc1)c1ccnc2cc(Br)cnc12 1915325115 ZAJAHFYUKKILNU-LJQANCHMSA-N 463.217 5.818 50 10 JKGE COc1cccc(Br)c1C(=O)N(Cc1ccccc1)C(C)(C)CBr 1915757237 XARJPLWEOHTFDO-UHFFFAOYSA-N 455.190 5.274 50 10 JKGE Fc1cc(Cl)cc([C@H](Br)c2cc(Br)c(Br)s2)c1 1918783749 WCYBYVLWSBGYKI-JTQLQIEISA-N 463.391 6.550 50 10 JKGE Cc1c(Br)sc([C@@H](Br)[C@H]2COc3ccccc3O2)c1Br 1922883088 ODSSQNBHSBHXEL-PWSUYJOCSA-N 483.019 5.858 50 10 JKGE Cc1c(Br)sc([C@H](Br)c2csc3c2CCCC3)c1Br 1922894770 OETWDOHTDBTHAP-GFCCVEGCSA-N 485.104 7.006 50 10 JKGE Cc1cc([C@@H](Cl)c2c(Br)sc(Br)c2Cl)sc1Br 1923055465 UCYYPTWVUIYFRH-ZCFIWIBFSA-N 499.902 7.387 50 10 JKGE CCO[C@@H]1C[C@@H]1[C@@H](Cl)c1c(Br)sc(Br)c1Br 1924607476 VJGOFXFEBNEFEV-CPDSJTNBSA-N 453.421 5.741 50 10 JKGE Cc1csc(C(=O)N(Cc2ccccc2)C2(CBr)CCC2)c1Br 1939884386 ZMYSFUAMTQJSQA-UHFFFAOYSA-N 457.231 5.779 50 10 JKGE Brc1ccc([C@@H](Br)c2cccc(Br)c2Br)cc1 1943904686 ZXBINGSPNLKQEB-GFCCVEGCSA-N 483.823 6.458 50 10 JKGE C[C@H](CCBr)N(Cc1ccccc1)C(=O)c1cc(I)ccc1F 1980671130 LTRKYDXYOKOYOK-CYBMUJFWSA-N 490.154 5.246 50 10 JKGE CCc1nc([C@@H](Br)c2sc(Br)cc2C)c(Br)s1 2003573140 XUHDDMPVRIRZFY-MRVPVSSYSA-N 460.054 6.085 50 10 JKGE CCc1cc(Br)c([C@H](Br)Cc2ccccc2Br)s1 2029233788 XKQUZHXUNFGKIA-GFCCVEGCSA-N 453.037 6.514 50 10 JKGE Cc1nn(C)c(Br)c1[C@H](Cl)c1sc(Br)c(C)c1Br 2065891213 WHCKOKGHITXVIG-QMMMGPOBSA-N 477.447 5.714 50 10 JKGE CCCOc1ccc(-n2nc(CBr)c(I)c2C(F)(F)F)cc1 2079257607 ANZQMTOGMRRPAH-UHFFFAOYSA-N 489.073 5.179 50 10 JKGE Cc1cc(F)c(Cl)cc1[C@H](Br)c1cc(Br)sc1Br 2081938719 YHDFYJPMLAVCHB-NSHDSACASA-N 477.418 6.858 50 10 JKGE Cc1cc(Cl)c(Br)cc1[C@@H](Br)c1c(C)nsc1Br 2082390581 VJUFHZZLUWUUCH-LLVKDONJSA-N 474.443 6.423 50 10 JKGE Brc1cc([C@@H](Br)[C@H]2C[C@H]3COC[C@H](C3)C2)sc1Br 2085748247 OPOVSRRZHGFLRW-NHRVJRKFSA-N 459.041 5.772 50 10 JKGE Clc1ccc(I)c(CN2CC[C@@H]3C[C@H](Br)CC[C@H]32)c1 2087663006 GORKKCBZIAUPOF-IXPVHAAZSA-N 454.577 5.083 50 10 JKGE CCc1cc(Br)c([C@@H](Br)c2cc(Cl)c(C)cc2Br)s1 2089708848 FMRKKECJLJWBDH-ZDUSSCGKSA-N 487.482 7.282 50 10 JKGE FC1(F)C2(CCC2)[C@@]1(CBr)Cc1cccc(Br)c1Br 2093473882 NIHCCOLMQVYQIO-ZDUSSCGKSA-N 458.966 5.955 50 10 JKGE COc1ccc([C@H](Cl)c2c(Br)cccc2Br)c(Br)c1 2094091192 QAPQIYPRPWJTIU-AWEZNQCLSA-N 469.398 6.311 50 10 JKGE CC(C)(C)n1c(CBr)nnc1-c1c(Br)cccc1Br 2094099613 WRFPHPLMAPUZCW-UHFFFAOYSA-N 451.988 5.120 50 10 JKGE Cc1cc(Br)sc1CN(C)c1ccc(CBr)c(Br)c1 2100768619 KVZDAQGTDSNHKD-UHFFFAOYSA-N 468.052 6.113 50 10 JKGE Cc1c(Br)sc([C@H](Cl)Cc2c(Cl)cccc2Cl)c1Br 2104786325 DRANEJRWHCANFF-SNVBAGLBSA-N 463.449 7.411 50 10 JKGE CC[C@H]1CN(C(=O)OCc2ccccc2)[C@H](CC)CN1Cc1ccc(CBr)cc1 2126471516 LHWZOIIUPLXUKV-XZOQPEGZSA-N 459.428 5.593 50 10 JKGE CC(C)[C@H](CBr)N(Cc1ccccc1)C(=O)c1cc(Br)ccc1[N+](=O)[O-] 2129199674 PBIXYLOIBURWGY-SFHVURJKSA-N 484.188 5.419 50 10 JKGE Cc1cc(Cl)c([C@H](Br)c2cc(Cl)ccc2I)cc1Cl 2136698475 WMUZDKRVVVTRBF-AWEZNQCLSA-N 490.393 7.044 50 10 JKGE Cc1c(Br)ccc([C@H](Br)[C@@H]2C[C@H]3CCCC[C@@H]32)c1Br 2138864588 ORYZSXYMQDXZCB-WNCDQNTKSA-N 451.040 6.782 50 10 JKGE C[C@H](Cl)c1nc2cc(I)ccc2n1[C@@H](C)c1cnn(Cc2ccccc2)c1 2146217454 MNAAWIFCGFCXSU-GJZGRUSLSA-N 490.776 5.795 50 10 JKGE CC1(C)C[C@@H](n2c(CCl)nc3cc(I)c(F)cc32)[C@H]1OCc1ccccc1 2156374051 KCFIMTNJMMOKSX-UYAOXDASSA-N 498.767 6.075 50 10 JKGE Cc1c(Cl)cc([C@@H](Br)c2cc(C3CC3)c(Br)s2)cc1Br 2167385617 VNEPYGXEDNUVDL-CQSZACIVSA-N 499.493 7.597 50 10 JKGE C[C@H]1C[C@H](n2c(CCl)nc3cc(Cl)c(Br)cc32)CCN1Cc1ccccc1 2168999706 WREKQGMZSGEZAU-GOEBONIOSA-N 467.238 6.417 50 10 JKGE ClCc1nc2cc(Cl)c(Br)cc2n1[C@@H]1CCOC[C@H]1OCc1ccccc1 2169012066 SSYGNISPCNCDGQ-IEBWSBKVSA-N 470.194 5.738 50 10 JKGE Fc1cc(Br)cc(N2CCc3cc(Br)ccc32)c1CBr 2170696454 DVXAVWZZVOHUHE-UHFFFAOYSA-N 463.970 5.940 50 10 JKGE FC1(F)C2(CC2)C12CC([C@@H](Cl)c1c(Br)sc(Br)c1Cl)C2 2183919522 DLSQAKRUCXKYHS-RSSJWOLSSA-N 467.000 7.032 50 10 JKGE CC1(C)CCC2(CC1)CC(O[C@]1(CI)CCCN(C(=O)OC(C)(C)C)C1)C2 2193411655 FUNFBDWKRNKVJG-QFIPXVFZSA-N 491.454 5.957 50 10 JKGE Cc1cc(Br)c(C)c([C@@H](Br)[C@@H]2CCCCC2(F)F)c1Br 2201069230 JNDMTEZHDVSFLC-HZMBPMFUSA-N 475.009 7.090 50 10 JKGE Fc1cc(Br)c([C@H](Br)c2cc(Cl)cc(Cl)c2)c(F)c1Cl 2201618066 HOMDGSUJIILSNT-LLVKDONJSA-N 465.346 7.172 50 10 JKGE CCC[C@@H]1CN(C(=O)c2cc(Br)cc(Br)c2)C[C@H]1CBr 2205704165 PVLLJGPJOIOLFW-ZYHUDNBSSA-N 468.027 5.095 50 10 JKGE CCc1cc(Br)c([C@@H](Br)c2sc(C)c(Br)c2C)s1 2218964233 GDVAZTAIFMRWOE-NSHDSACASA-N 473.093 6.998 50 10 JKGE Cc1cc(Br)c([C@H](Cl)c2cccc(I)c2)c(C)c1Cl 2224311728 NFVIPBLVGVTZBP-OAHLLOKOSA-N 469.975 6.652 50 10 JKGE CCOCc1cc(Br)c([C@@H](Br)c2ccccc2Br)s1 2224783880 UYYBERLOOOMEKE-ZDUSSCGKSA-N 469.036 6.294 50 10 JKGE CCC[C@@H](CC(C)C)[C@@H](Br)c1cc(Br)c(Br)cc1F 2225633469 JYMJMASPDFYGBI-ZUZCIYMTSA-N 459.035 7.249 50 10 JKGE FC(F)(F)[C@@H]1CCO[C@@H]1[C@@H](Cl)c1c(Br)sc(Br)c1Cl 2231815046 UPFAUVBIYIEHBJ-BYHIOWSSSA-N 462.940 6.174 50 10 JKGE COC[C@@H]1CC[C@@H]([C@H](Br)c2c(Br)cc(C)c(Br)c2C)C1 2235608256 IUKIXSYNVBIWBD-HSMVNMDESA-N 469.055 6.327 50 10 JKGE Cc1cc(Br)c([C@H](Br)C[C@@H]2CCCC2(F)F)c(C)c1Br 2235610392 FDVAKMBZSWLMDZ-CMPLNLGQSA-N 475.009 7.090 50 10 JKGE CC1(COC2(CI)CCN(C(=O)OC(C)(C)C)CC2)CC2(CC(F)(F)C2)C1 2239151967 JGNXSGYFCRKPET-UHFFFAOYSA-N 499.380 5.423 50 10 JKGE Cc1c(Br)ccc([C@@H](Br)c2cocc2Br)c1Br 2249421433 HNOMPGYSUDPWHL-GFCCVEGCSA-N 487.811 6.360 50 10 JKGE COc1cc(Cl)c(Cl)cc1[C@H](Br)c1sccc1I 2253422975 MIMWFETUKBTSJR-NSHDSACASA-N 477.976 6.152 50 10 JKGE CS(=O)(=O)c1cscc1[C@H](Br)c1cc(Br)c(Cl)s1 2260094164 HLXYFBOHIVFRTR-VIFPVBQESA-N 450.626 5.113 50 10 JKGE CC(C)c1cc(Br)cc(C(=O)N(Cc2ccccc2)C2(CBr)CCC2)c1 2266008788 VVTAHEBKWGPYRB-UHFFFAOYSA-N 479.256 6.533 50 10 JKGE Cc1c(CBr)cccc1NC(=O)c1csc(Br)c1Br 2268265436 FXYIVXWCBNAXNJ-UHFFFAOYSA-N 468.008 5.729 50 10 JKGE COc1ccc([C@@H](Br)CC(F)(F)C(F)(F)F)cc1I 2269557149 SSEYCWWSMZXNMT-ZETCQYMHSA-N 458.990 5.324 50 10 JKGE C[C@H](Br)CN(CCC(C)(C)C)C(=O)c1sccc1I 2272428588 MATQSVQBQPNMGZ-JTQLQIEISA-N 458.203 5.015 50 10 JKGE CC[C@@H]([C@H](Br)c1c(F)cc(Br)c(F)c1Br)C(C)(F)F 2272726516 OXKDYFZDZFUEMJ-CDUCUWFYSA-N 470.924 6.607 50 10 JKGE CC(F)(F)C1([C@@H](Br)Cc2cc(Br)cc(Br)c2)CCC1 2277954762 YTYGJHWFRCVZTA-LBPRGKRZSA-N 460.982 6.343 50 10 JKGE COc1cc(Cl)c(Cl)cc1[C@@H](Br)c1cccc(Br)c1Cl 2279058294 PDQUUIGYRWJUFJ-ZDUSSCGKSA-N 459.392 6.902 50 10 JKGE COc1cc(Cl)c(Cl)cc1[C@@H](Cl)c1cccc(Br)c1Br 2279060590 WCIJLELUEAQWHD-AWEZNQCLSA-N 459.392 6.855 50 10 JKGE Cc1c(Br)cccc1CO[C@@H](CBr)c1ccc(Br)cc1 2283656361 YNWWKNKFXRLXEE-INIZCTEOSA-N 463.007 6.173 50 10 JKGE Cc1cc(Br)c([C@H](Br)[C@H]2C[C@H](S(C)(=O)=O)C2)c(C)c1Br 2285274450 NUPQGASLQYCCPG-GPCCPHFNSA-N 489.067 5.088 50 10 JKGE COc1ccc(NC(=O)C(C#N)=Cc2cc(Cl)c(OCc3ccc(C(=O)O)cc3)c(OC)c2)cc1 2293638406 UXLWZSHVBNWGAF-UHFFFAOYSA-N 492.915 5.180 50 10 JKGE COc1ccc(NC(=O)C(C#N)=Cc2cc(C)n(-c3sc4c(c3C#N)CCCC4)c2C)cc1 2295163754 DSWXJRFUVGBJJB-UHFFFAOYSA-N 456.571 5.460 50 10 JKGE COc1c(Br)cc(Cl)c(C)c1[C@@H](Br)c1cc(Cl)sc1Cl 2295273390 YJVJSWFUYLBTEU-NSHDSACASA-N 479.448 7.272 50 10 JKGE CCOC(=O)c1c(NC=C(C#N)c2nc(-c3ccc(C)c(C)c3)cs2)sc(C(C)=O)c1C 2297465950 DKEPUDYUVRHBBF-UHFFFAOYSA-N 465.600 6.153 50 10 JKGE CCOC(=O)C(C#N)=CC=C(c1ccc(Cl)cc1)N1CCN(c2cccc(C(F)(F)F)c2)CC1 2297534807 WQQMMHWQEPRAGV-UHFFFAOYSA-N 489.925 5.535 50 10 JKGE C[C@H](C[C@@H](Br)c1cc(Br)ccc1OCc1ccccc1)C(F)(F)F 2299500885 JKUVBSRBCFXSAN-MLGOLLRUSA-N 466.135 7.053 50 10 JKGE FC[C@@H]1C[C@@H]1[C@H](Br)c1c(Cl)cc(Br)c(F)c1Br 2300168403 JJWPHTIMWGDMKP-PJPYAQQDSA-N 453.346 6.046 50 10 JKGE FC(F)(F)C1([C@@H](Br)c2sc(Cl)cc2I)CCC1 2301085919 JFWSGRZHVQYACU-QMMMGPOBSA-N 459.496 6.175 50 10 JKGE Cc1sc([C@H](Cl)c2ccc(Cl)cc2I)cc1Br 2301794812 QQSIQYBZNWFYME-GFCCVEGCSA-N 461.977 6.405 50 10 JKGE COc1ccc(N2C(=O)[C@@H](Cc3ccc(C)c(C)c3)SC2=C(C#N)C(=O)Nc2ccccc2C)cc1 2314592406 SOWZMTHOKIKLIV-AREMUKBSSA-N 497.620 5.685 50 10 JKGE Fc1cc(Br)c(F)c(Br)c1[C@H](Cl)c1cnsc1Br 2315618660 ZWORZMNZKFNLHC-MRVPVSSYSA-N 482.369 6.037 50 10 JKGE Cc1nc(-c2ccc(Cl)cc2Cl)ccc1C(=O)NNC(=O)C=Cc1cccc(OC(C)C)c1 2321143315 QDCVOXSWNRUMRY-UHFFFAOYSA-N 484.383 5.625 50 10 JKGE COc1ccc(C=C(C(O)=C(C#N)c2nc(-c3ccc(F)c(F)c3)cs2)c2ccccc2)cc1 2331351969 QHVMZQMYFMZHAL-UHFFFAOYSA-N 472.516 7.130 50 10 JKGE N#CC(=C(O)C(=Cc1ccccc1)c1ccccc1)c1nc(-c2ccc(Oc3ccccc3)cc2)cs1 2331358753 KMECJNHZRRTCAO-UHFFFAOYSA-N 498.607 8.636 50 10 JKGE COc1cc(-c2csc(C(C#N)=C(O)c3cccc(OC(C)=O)c3)n2)c(OC)cc1Cl 2331377230 ZNLZNLPJZWHBMF-UHFFFAOYSA-N 456.907 5.356 50 10 JKGE COc1ccc(-c2csc(C(C#N)=C(O)[C@H](C)Oc3ccccc3C(C)C)n2)c(OC)c1OC 2331412941 VHOSJWRUNWAIEL-INIZCTEOSA-N 480.586 6.219 50 10 JKGE COc1cc(C=C(C#N)c2nc(-c3ccccc3Cl)cs2)ccc1OCCCc1ccccc1 2331430796 ZXDPKSVLYRFERA-UHFFFAOYSA-N 487.024 7.548 50 10 JKGE COc1cc(Cl)c(C)cc1-c1csc(C(C#N)=Cc2ccc(OCc3ccccc3)cc2)n1 2331474178 LCOWPKSUAMIBEZ-UHFFFAOYSA-N 472.997 7.424 50 10 JKGE Cn1cc([C@H](Br)c2c(F)cc(Cl)c(Br)c2Cl)c(Br)n1 2335294471 RANOKJZQNWWFBU-QMMMGPOBSA-N 495.799 5.875 50 10 JKGE Clc1ccc(C[C@H]2C[C@H](Br)CC3(CCC3)C2)cc1I 2337274037 FITOPRXSTKRIFS-STQMWFEESA-N 453.589 6.221 50 10 JKGE COc1c(Br)cc(C)c([C@H](Br)[C@@H]2C[C@H](C)CO2)c1Br 2339657594 ZKNHTUHAQAAHCP-VIRWGQHYSA-N 457.000 5.390 50 10 JKGE C[C@H]1CC2CC([C@@H](Br)c3cc(Br)c(Br)cc3F)(C2)O1 2342312506 FOXBWUOMFWFDHW-XYBRAPFZSA-N 456.975 5.744 50 10 JKGE C[C@@H](Br)CN(C(=O)c1cc(Br)sc1Br)C1CCCC1 2342931454 SQXGSWREMPRYMG-MRVPVSSYSA-N 474.056 5.441 50 10 JKGE C[C@@H](c1ccncc1F)[C@@H](Cl)c1cc(I)ccc1Br 2344698652 MAZMIXABHNQROK-RMLUDKJBSA-N 454.508 5.671 50 10 JKGE C[C@@H](Cl)c1nc2cc(Br)c(Cl)cc2n1[C@@H]1CN(Cc2ccccc2)C[C@H]1C 2357222943 AFEWLSQQLHWQFP-ARGWCVDVSA-N 467.238 6.445 50 10 JKGE C[C@]1([C@@H](Cl)c2c(Cl)cc(Br)c(F)c2Br)C[C@@H]1C(F)(F)F 2362231800 HFQWBZWDNYUCPP-CYUDJLOBSA-N 458.902 6.873 50 10 JKGE CC1(C)CCC[C@H]([C@H](Br)c2c(Cl)cc(Br)c(F)c2Br)O1 2362233535 BJYHWNFLKKTBCQ-KOLCDFICSA-N 493.436 6.788 50 10 JKGE Clc1ccc(CN2CCC[C@@]3(CBr)CCC[C@@H]23)cc1I 2362379050 KZVGJIKHRIATNW-HZPDHXFCSA-N 468.604 5.474 50 10 JKGE Fc1ccc(C(F)F)c([C@H](Cl)c2cc(Br)ccc2OCc2ccccc2)c1 2363669463 UOKNTQHWZLNSKR-FQEVSTJZSA-N 455.701 7.433 50 10 JKGE COc1ccc(C[C@@H](Br)c2c(Br)sc(C)c2C)c(Br)c1 2364192395 JTOGYNGJQSYVGF-CYBMUJFWSA-N 483.063 6.577 50 10 JKGE Cc1cc(Br)c(F)c(Br)c1[C@@H](Br)C1CC2(CCOC2)C1 2365177736 CSNIXZLEQWNKPL-RHJSQNMRSA-N 471.002 5.912 50 10 JKGE Cc1cc(Br)c(F)c(Br)c1[C@@H](Cl)c1cccc(Cl)c1Cl 2365188154 IOPSPZMMBJCHNE-ZDUSSCGKSA-N 461.383 7.294 50 10 JKGE COc1c(Br)cc(C)c([C@@H](Br)[C@@H]2C[C@@H]3C[C@@H]3CO2)c1Br 2365193676 JYJVIRXAPGAMEW-PKCZLINISA-N 469.011 5.390 50 10 JKGE COc1c(Br)cc(C)c([C@@H](Br)C23CC(C2)[C@H](C)O3)c1Br 2365217830 HVIBROQOEMFURE-HCVSYZCBSA-N 469.011 5.532 50 10 JKGE CC(C)n1ncc(Br)c1C[C@H](CBr)c1ccc(Br)cc1 2367984305 CDTRKXMJRASGSL-GFCCVEGCSA-N 465.027 5.710 50 10 JKGE CCOc1cnc(C(=O)N/N=C/c2c(OCc3cccc(Br)c3)ccc3ccccc23)o1 20190287 BRIFUAXKFUBBMM-UVHMKAGCSA-N 494.345 5.332 50 10 JKGE COc1cc(/C=C(/C#N)c2ccccc2OC)ccc1OC(=O)/C=C/c1ccc([N+](=O)[O-])cc1 31902007 NGZODQSWCXHRSE-MSPZYCAZSA-N 456.454 5.295 50 10 JKGE O=C(CSc1nc2ccccc2s1)N/N=C/c1ccccc1OCc1cccc(Cl)c1 32520734 BONFACCXRGCDGE-DHRITJCHSA-N 468.003 5.771 50 10 JKGE N#C/C(=C/c1ccc(N2N=C(c3ccccc3)C[C@@H]2c2ccccc2)cc1)c1[nH]nc(N)c1C#N 33568790 GILSZWQPYHYMGD-ZQMPRBCBSA-N 455.525 5.283 50 10 JKGE CC(C)c1ccc(OCC(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@H]3c2cccc(F)c2)cc1 38678287 BZXJGYIOVAFOKG-SANMLTNESA-N 458.489 5.152 50 10 JKGE CCCCCOc1ccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4ccc(Cl)cc4)ccc32)cc1 38685291 BEVAKORDPABFOH-AREMUKBSSA-N 488.971 6.346 50 10 JKGE CSc1ccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4oc5cc(C)c(C)cc5c4C)ccc32)cc1 38700698 LBQYFVMKSSADGZ-SANMLTNESA-N 496.588 6.517 50 10 JKGE Cc1cccc(-n2c(C)cc(/C=N/NC(=O)c3cc4cc(Br)ccc4o3)c2C)c1 59304447 CNPZYSLMQJYETJ-DHRITJCHSA-N 450.336 5.675 50 10 JKGE CCCCCCCCCCCCCCCCOC(=S)N[C@@H]1CS(=O)(=O)C[C@H]1Cl 59568435 YFEGLVIVJRHYHD-WOJBJXKFSA-N 454.142 5.763 50 10 JKGE COc1cccc(/C=C(/C#N)C(=O)Nc2ccccc2C(F)(F)F)c1OCc1ccc(F)cc1 96438816 SRRFMSMVYBXRDN-AQTBWJFISA-N 470.422 5.978 50 10 JKGE Fc1cc2c(cc1I)nc(CCl)n2Cc1ccc(Br)s1 97409329 IDZDZQGNFZAYCK-UHFFFAOYSA-N 485.547 5.391 50 10 JKGE Cc1ccc(Cc2cnc(NC(=O)/C(C#N)=C\c3ccc(C(C)(C)C)cc3)s2)cc1Cl 102958285 YGMODWBXGNHVBR-ODLFYWEKSA-N 450.007 6.539 50 10 JKGE CCOc1ccc(Br)cc1[C@H](Cl)c1csc(I)c1 124401122 WXVBBCRNXXGXIR-CYBMUJFWSA-N 457.558 5.842 50 10 JKGE C[C@@H](Cl)c1nc2cc(I)ccc2n1-c1ccc(Cl)cc1Br 125822870 DMANQNYVVKSGOZ-MRVPVSSYSA-N 495.973 6.346 50 10 JKGE Clc1cc([C@@H](Br)c2cc(Cl)c(Br)s2)ccc1Br 148989620 PMHUVXRKULAVLP-SNVBAGLBSA-N 479.846 7.064 50 10 JKGE C[C@@H]1C[C@@H](O[Si](C)(C)C(C)(C)C)C[C@H](c2ccncc2NC(=O)OCc2ccccc2)C1 204565717 PRXMPDREOFIZON-KSEOMHKRSA-N 454.687 7.124 50 10 JKGE COc1cc(/C=C(/C#N)C(=O)NC(C)C)ccc1OC(=O)c1ccccc1CCc1ccccc1 206430404 PURXPFKSWYIFEJ-ULJHMMPZSA-N 468.553 5.131 50 10 JKGE CC(C)(C)c1ccc([C@H](Br)c2ccc(Br)cc2Br)s1 232512112 FOAMANLSDRGDIF-CQSZACIVSA-N 467.064 7.055 50 10 JKGE Fc1ccc(C[C@@H](Br)c2cc(Br)ccc2I)cc1 236152909 PMMHKONVBOKVGB-CYBMUJFWSA-N 483.944 5.872 50 10 JKGE C/C(C=NNC(=O)CSc1nnc(SCc2cccc3ccccc23)s1)=C/c1ccco1 254522544 NZANXQRLMNRKSL-SBRBTQSLSA-N 480.640 5.874 50 10 JKGE Cc1ccc(C=NNC(=O)CSc2nnc(CNc3cccc4ccccc34)n2-c2ccccc2)o1 254799733 JIGZYXQDFNGCSX-UHFFFAOYSA-N 496.596 5.176 50 10 JKGE CCCCCCCCOc1ccc(-c2cc(C(=O)NN=C(C)c3ccc(OC)cc3)[nH]n2)cc1 254822992 SJHBVGBRPYBXOD-UHFFFAOYSA-N 462.594 5.979 50 10 JKGE O=C(Nc1cccc(CCBr)c1)c1cc(Br)sc1Br 313177170 CDQMYUKAKOJSKQ-UHFFFAOYSA-N 468.008 5.463 50 10 JKGE Fc1ccc([C@H](Cl)c2cc(I)cc3c2OCC3)cc1Br 380008457 RARDCYBJOHENAP-AWEZNQCLSA-N 467.503 5.456 50 10 JKGE C[C@H](Br)C[C@@H]1CCCCCN1c1ncc(Br)cc1Br 387974521 CZCOWINYMDHCJJ-JQWIXIFHSA-N 455.032 5.529 50 10 JKGE CC(C)(C)[Si](C)(C)OCc1ccccc1[C@H]1CNc2ccccc2N1S(=O)(=O)c1ccccc1 616583867 CKJJBCYYDXQXMP-AREMUKBSSA-N 494.733 6.571 50 10 JKGE COC1CCC(O[C@@](C)(CI)c2ccccc2Br)CC1 686228758 GWJUBQGRNZASBB-ZUEPYMLJSA-N 453.158 5.074 50 10 JKGE CCn1cc([C@@H](Br)c2cc(F)c(Br)cc2F)nc1Br 698367942 CZOZTXDWNYBNBX-NSHDSACASA-N 458.926 5.191 50 10 JKGE Brc1csc([C@@H](Br)c2csc3ccccc23)c1Br 705438268 KXMLTQLHYQDFKJ-NSHDSACASA-N 467.045 6.972 50 10 JKGE CCOc1ccc([C@@H](Cl)c2scc(Br)c2Br)cc1Br 705470144 YIDIRNCTHOIIRN-GFCCVEGCSA-N 489.454 6.763 50 10 JKGE C[C@@H]1CN(Cc2ccccc2)C[C@H]1Cn1c(CCl)nc2cc(F)c(Br)cc21 708573954 LPTMNIQTVANSIV-ZBFHGGJFSA-N 450.783 5.445 50 10 JKGE BrCc1ccc(N2CCCc3cc(Br)ccc32)cc1Br 713295351 STLNIRGGBFFSPO-UHFFFAOYSA-N 460.007 6.191 50 10 JKGE Cc1ccc([C@@H](Br)c2cccc(I)c2)c(C)c1Br 719582221 ONBBAGFEDOGTTB-HNNXBMFYSA-N 479.981 6.155 50 10 JKGE Fc1ccccc1C(CBr)(CBr)Cc1sncc1Br 719872939 OJLISEBECPVEFC-UHFFFAOYSA-N 472.015 5.315 50 10 JKGE COc1ccc([C@@H](Cl)c2ccc(I)c(Br)c2)cc1C 721607634 ZVIRKEPKZGKDNG-OAHLLOKOSA-N 451.529 5.699 50 10 JKGE CC(=NNC(=O)c1ccc(OCc2ccc(Br)cc2)cc1)c1ccc(Cl)cc1 1081086820 QFBUHHMDYULSSS-UHFFFAOYSA-N 457.755 5.836 50 10 JKGE CCOc1ccc([C@@H](O)CCC(=O)NN=Cc2cc(C)n(-c3ccc(N(CC)CC)cc3)c2C)cc1 1084231335 SGMOXNGBQKNYKY-NDEPHWFRSA-N 490.648 5.303 50 10 JKGE N#CCOc1ccccc1C=NNC(=O)CSc1c(Cl)c(Cl)c(Cl)c(Cl)c1Cl 1084513418 LPITYCYBHXZBSV-UHFFFAOYSA-N 497.618 6.098 50 10 JKGE Cc1ccc(COc2ccc3ccccc3c2C=NNC(=O)CSc2nc3ccccc3s2)cc1 1772760374 HIZGVJILTNOVQC-UHFFFAOYSA-N 497.645 6.579 50 10 JKGE Cc1ccc(Cn2nc(C(F)(F)F)c3c2OC(N)=C(C#N)[C@H]3c2ccccc2OC(C)C)cc1 1865704925 IAYJTOJUVMRYJS-HXUWFJFHSA-N 468.479 5.264 50 10 JKGE CCCc1nn(Cc2cccc(Cl)c2)c2c1[C@@H](c1ccc(Cl)c([N+](=O)[O-])c1)C(C#N)=C(N)O2 1865705750 DSLWPPVJOVHFLZ-FQEVSTJZSA-N 484.343 5.317 50 10 JKGE Cc1ccccc1CCCC(=O)N[C@@H](Cc1ccc(F)cc1)C(=O)Nc1ccc(SC#N)cc1 1867118215 BEFDWYHECMJIQK-VWLOTQADSA-N 475.589 5.396 50 10 JKGE CCc1nc(Nc2ccc(SC#N)cc2)cc(N2[C@@H](Cc3ccccc3)COCC2(C)C)n1 1868278019 PLUSYOBVCZKQAQ-NRFANRHFSA-N 459.619 5.582 50 10 JKGE COCCN1[C@@H](C)CN(c2cc(Nc3ccc(SC#N)cc3)nc(-c3ccc(C)cc3)n2)C[C@@H]1C 1868320104 BJPNAZYSNKWQSW-SFTDATJTSA-N 488.661 5.314 50 10 JKGE Cc1nc(Nc2ccc(SC#N)cc2)cc(N2CCO[C@H](c3ccc(Br)cc3)C2)n1 1868480573 PHKXBZGHSWTPFA-FQEVSTJZSA-N 482.407 5.442 50 10 JKGE CCn1c(/C(C#N)=C/c2ccc(OC(=O)c3cccc([N+](=O)[O-])c3)c(OC)c2)nc2ccccc21 1872730956 NYRBGNLCARFLPR-CPNJWEJPSA-N 468.469 5.256 50 10 JKGE N#C/C(=C(/O)c1cc([N+](=O)[O-])ccc1Cl)c1nc(-c2cccc(Br)c2)cs1 1872747078 MNOXXKWKMZLDBG-VKAVYKQESA-N 462.712 6.084 50 10 JKGE COc1cc(Cl)c(C)cc1-c1csc(/C(C#N)=C(\O)c2ccc3nc(C)c(C)nc3c2)n1 1872756971 KOUQARFBTXVRND-QJOMJCCJSA-N 462.962 6.290 50 10 JKGE CCOc1c(Br)cc(/C=C(\C#N)c2nc(-c3ccc(F)cc3F)cs2)cc1OC 1872784283 IJIMOKLMZWFXII-AWNIVKPZSA-N 477.330 6.322 50 10 JKGE CCCOc1c(Br)cc(/C=C(\C#N)c2nc(-c3ccc(OCC)cc3)cs2)cc1OC 1872790172 PBRJXOVVPJSPDP-WOJGMQOQSA-N 499.430 6.833 50 10 JKGE CCCOc1ccc(-c2csc(/C(C#N)=C/c3cc(Br)cc(OC)c3O)n2)cc1 1872791001 PXFKFCLAJRPFSW-CXUHLZMHSA-N 471.376 6.140 50 10 JKGE CCOc1ccc(OCC)c(-c2csc(/C(C#N)=C/c3cc(OC)c(O)c(OC)c3)n2)c1 1872792814 RZMBEVUYBRJHGF-CXUHLZMHSA-N 452.532 5.394 50 10 JKGE COc1ccc(-c2csc(/C(C#N)=C/c3ccccc3OCc3ccccc3Cl)n2)c(OC)c1 1872793871 YKUFESZHVCUIFV-DEDYPNTBSA-N 488.996 7.124 50 10 JKGE CCOc1cc(/C=N/NC(=O)CCCCCNC(=O)OC(C)(C)C)ccc1OCc1ccccc1 1873793107 XBNOAZDMQFKXMJ-VUTHCHCSSA-N 483.609 5.200 50 10 JKGE Brc1cccc(Br)c1COCCCCCI 1901785950 GSYULOXBFXMGIF-UHFFFAOYSA-N 461.963 5.334 50 10 JKGE Brc1cc([C@H](Br)C2CC3(CCCCC3)C2)sc1Br 1912560306 YYQVIDMIWWZIPH-GFCCVEGCSA-N 457.069 7.070 50 10 JKGE Cl[C@H](c1cscc1Br)c1sc(Br)cc1Br 1922891638 MPYYFOPZVIUWBS-MRVPVSSYSA-N 451.430 6.425 50 10 JKGE Cc1cccc(Br)c1[C@@H](Cl)c1sc(Br)cc1Br 1922941240 NTKSSODRKPFZKP-LLVKDONJSA-N 459.428 6.672 50 10 JKGE Clc1c(Br)sc(Br)c1[C@H](Cl)[C@@H]1CCC[C@H]2CCCC[C@@H]21 1923067435 CJQUGQHPGYWPNV-DTHBNOIPSA-N 461.090 7.813 50 10 JKGE Cl[C@H](c1c(Br)sc(Br)c1Br)C1CCCCCCC1 1924590726 LEEFBANDEPHRKV-NSHDSACASA-N 479.503 7.676 50 10 JKGE CC(C)(C1CCCCC1)[C@@H](Cl)c1c(Br)sc(Br)c1Br 1924615681 FBKINTVMBUXVPP-NSHDSACASA-N 493.530 7.922 50 10 JKGE COc1cscc1[C@@H](Cl)c1c(Br)sc(Br)c1Br 1950316141 PCEBSUMDQCTRFL-MRVPVSSYSA-N 481.456 6.434 50 10 JKGE CCc1cc(Br)c([C@H](Br)c2cc(Br)ccc2Cl)s1 2029231886 APFZIXKBCDHYQS-GFCCVEGCSA-N 473.455 6.973 50 10 JKGE Cc1cc(C(=O)C(C#N)=Cc2ccc(-c3ccc(Br)cc3)o2)c(C)n1-c1ccccc1F 2042446445 XUFCPRLLCYLMRH-UHFFFAOYSA-N 489.344 7.046 50 10 JKGE COC1(C[C@H](Cl)c2c(Br)sc(Br)c2Br)CCCC1 2049788512 LQJDVXHUUZFTKZ-ZETCQYMHSA-N 481.475 6.665 50 10 JKGE Clc1cc(C[C@@H](Br)c2cccc(Br)c2)ccc1Br 2050534772 DGLSACOVFIIZNU-CYBMUJFWSA-N 453.399 6.544 50 10 JKGE Brc1cc(Br)c([C@@H](Br)c2ccc3nsnc3c2)s1 2057037227 RBFBXPOETYBNGM-JTQLQIEISA-N 469.021 5.762 50 10 JKGE CO[C@@H]1CCC[C@@H]([C@@H](Cl)c2c(Br)sc(Br)c2Br)C1 2062718891 TXWLAOVIZFRHRI-BRDIYROLSA-N 481.475 6.521 50 10 JKGE Cc1nn(C)c(Br)c1[C@H](Br)c1c(Cl)sc(Cl)c1Cl 2065889943 HEAUPDSGVLTABY-LURJTMIESA-N 453.414 5.997 50 10 JKGE C[C@]1(CC(CBr)(CBr)c2ccccc2Br)CCCO1 2096624761 MZVHPONVOXZBLN-CQSZACIVSA-N 455.028 5.436 50 10 JKGE COc1ccc([C@H](Br)c2cscc2OCc2ccccc2)c(OC)c1Br 2100090830 CRUSCHQUNUPROZ-SFHVURJKSA-N 498.236 6.591 50 10 JKGE CC1(C)CC[C@@H](Cl)[C@@H](CNc2ncc(I)cc2Br)C1 2133383477 FEFJRHYWBMTOGO-BXKDBHETSA-N 457.581 5.294 50 10 JKGE COc1cc(Cl)c([C@@H](Cl)c2cccc(OCc3ccccc3)c2)cc1Br 2137637525 OODNVTDTJPYISX-NRFANRHFSA-N 452.175 7.018 50 10 JKGE Cc1cc(Cl)c(Br)cc1[C@@H](Br)c1nn(C)c(Br)c1C 2137639224 DRRHNFXUJYWREV-LLVKDONJSA-N 471.418 5.700 50 10 JKGE COc1c(Cl)cc(Br)cc1[C@H](Br)c1cc(C)c(Br)o1 2138252611 AHQDOFOPYCLQCJ-NSHDSACASA-N 473.386 6.259 50 10 JKGE BrC[C@@H]1CCC2(CCC2)N1Cc1c(Br)cccc1Br 2140839849 FYIOOTOJDUAICT-NSHDSACASA-N 452.028 5.494 50 10 JKGE COCc1cc(Br)c([C@@H](Cl)c2ccc(I)c(C)c2)s1 2142142074 BPDWJBZDCAHJLA-ZDUSSCGKSA-N 471.585 5.898 50 10 JKGE CC(C)(C)OC(=O)N[C@@H]1CN(CC2(CBr)CCCCC2)CC[C@H]1C(F)(F)F 2163058851 ODVFMDFNVBIRNW-HUUCEWRRSA-N 457.375 5.109 50 10 JKGE Cc1cc(Br)c(CBr)c(N2CCO[C@@H]3CCN(Cc4ccccc4)C[C@@H]32)c1 2173450394 LNIRAOYAJGMFHH-FCHUYYIVSA-N 494.271 5.132 50 10 JKGE COCC(C)(C)N(Cc1ccccc1)S(=O)(=O)c1cc(CBr)c(Cl)cc1Cl 2179830039 HLYVSVFVEXOQNC-UHFFFAOYSA-N 495.266 5.504 50 10 JKGE C[C@H](c1cccs1)N(Cc1ccccc1)c1ccc(C(F)(F)F)c(CBr)c1 2181260085 LSTZHSSSFDPXLR-OAHLLOKOSA-N 454.355 7.430 50 10 JKGE Cc1c(Br)sc([C@@H](Br)c2ccccc2OCCF)c1Br 2189518747 STZQTOQGISABTK-LBPRGKRZSA-N 487.026 6.414 50 10 JKGE Cc1c(Br)ccc([C@H](Br)c2cccc3ccsc23)c1Br 2203688317 UJNLSCBCEIFDMQ-HNNXBMFYSA-N 475.043 7.219 50 10 JKGE ClCc1ccc(Br)c(Cl)c1N1CCc2sc(Br)cc2C1 2206354824 QYRVSMSUFWPLDD-UHFFFAOYSA-N 456.030 6.228 50 10 JKGE CC[C@@H](Br)CCc1sc(Br)c(Br)c1Br 2209973592 OIRVOLAZFRXHCQ-RXMQYKEDSA-N 469.862 6.142 50 10 JKGE Cc1ccc([C@@H](Br)Cc2ncccc2Br)cc1I 2217858756 DFZHVFNQDLGBBY-LBPRGKRZSA-N 480.969 5.436 50 10 JKGE Brc1cc(Br)c([C@H](Br)[C@@H]2C[C@H]3CCC[C@H](C3)C2)s1 2218351338 ORFGEDMAOHKTGH-KEPMVKOISA-N 457.069 6.926 50 10 JKGE COc1cc(C)ccc1[C@H](Br)c1cc(Br)c(Br)s1 2218595810 ATRFKOAXVHDQDO-LBPRGKRZSA-N 455.009 6.074 50 10 JKGE Fc1cc(Br)c(Br)cc1[C@@H](Cl)c1cc(Cl)sc1Cl 2218598750 WGUIEXLZGRKCFO-SNVBAGLBSA-N 453.385 7.047 50 10 JKGE COc1ccc([C@@H](Br)c2sc(C)cc2Br)c(Br)c1 2221838222 SCNNWYKMEVETQE-GFCCVEGCSA-N 455.009 6.074 50 10 JKGE Fc1ccc([C@H](Br)c2cccc(Br)c2Br)c(F)c1F 2225917702 BBEPTPBGFZFSEL-SNVBAGLBSA-N 458.897 6.113 50 10 JKGE Cc1c(Br)csc1[C@H](Cl)c1c(Br)cc(F)c(Cl)c1F 2226127680 YOTVTUVEJOMXSP-SNVBAGLBSA-N 450.957 6.841 50 10 JKGE CC1([C@H](Br)c2sc(Br)cc2Br)CC2(CC(F)(F)C2)C1 2230657088 XVWCEEJNYSRSDM-SNVBAGLBSA-N 479.022 6.925 50 10 JKGE O=S1(=O)CCC[C@H]([C@@H](Br)c2c(Br)cc(Cl)c(Cl)c2Cl)C1 2232519775 LSJLGMZTUMKTIF-QUBYGPBYSA-N 485.452 5.670 50 10 JKGE Cc1cc(Br)c([C@H](Cl)c2c(Br)sc(C)c2C)c(C)c1Cl 2232520600 PKICHVRYRVTGIQ-AWEZNQCLSA-N 457.058 7.488 50 10 JKGE C[C@]1([C@H](Br)c2cc(Br)c(Br)cc2F)CCCCC1(F)F 2233973510 ARFDHPKPUKVRRL-CHWSQXEVSA-N 478.972 7.002 50 10 JKGE COc1ccc(Oc2cc(F)cc(F)c2CBr)cc1I 2235796733 XHSNZIYDTMPTES-UHFFFAOYSA-N 455.036 5.265 50 10 JKGE O=C(Cc1ccccc1I)Nc1ccc(Cl)cc1CBr 2239476569 QBPHBQPYXRCZNP-UHFFFAOYSA-N 464.528 5.021 50 10 JKGE Cc1ccc(I)c([C@H](Cl)c2c(Br)cc(F)c(Cl)c2F)c1 2240999770 CQABEWFDGNHZGS-LBPRGKRZSA-N 491.928 6.622 50 10 JKGE Brc1cc(Br)cc(C[C@@H](Br)c2ccc(Br)o2)c1 2252836873 HTMXSRCJPJRNIH-SNVBAGLBSA-N 487.811 6.246 50 10 JKGE COc1ccc([C@H](Br)c2cccc(Br)c2)c(Br)c1Cl 2268266477 SIQCLLOFIILCJJ-GFCCVEGCSA-N 469.398 6.358 50 10 JKGE Cc1cc(F)c(F)cc1[C@H](Br)c1ccc(Cl)c(I)c1 2268283913 KQUNWAWFENZLJK-CQSZACIVSA-N 457.483 6.016 50 10 JKGE CC(C)(C[C@H](Br)c1c(F)cc(Br)c(F)c1Br)C(F)(F)F 2288375788 HFGLPTUKDVAMPJ-LURJTMIESA-N 488.914 6.904 50 10 JKGE Cc1ccc([C@H](CI)OCc2cc(Br)ccc2Cl)cc1 2295173954 SASHJKJLBKOXPO-INIZCTEOSA-N 465.556 6.104 50 10 JKGE Brc1cc(Br)cc(C[C@@H](Br)c2cc3ccccc3s2)c1 2295336862 BRVRXQIULDWGKT-CQSZACIVSA-N 475.043 7.105 50 10 JKGE CCOc1cc(C=C(C#N)C(=O)Nc2cc(Cl)cc(Cl)c2)ccc1OCc1ccc(C)cc1 2295459627 GRHAFDZMXDDIGT-UHFFFAOYSA-N 481.379 6.825 50 10 JKGE COc1cc([C@H](Br)c2cc3sc(Br)cc3s2)ccc1Br 2295495629 QCMCYOUXDBJCNK-AWEZNQCLSA-N 497.071 6.981 50 10 JKGE N#CC(C(=O)Nc1ccccc1Cl)=C1S[C@H](Cc2ccc(F)cc2)C(=O)N1c1ccccc1 2296507129 URJGSHVAOBKKAK-JOCHJYFZSA-N 477.948 5.544 50 10 JKGE CCOc1ccc(NC(=O)C(C#N)=Cc2cn(-c3ccccc3)nc2-c2ccc(OCC)cc2C)cc1 2296705013 FDVVWDQVUYOEEH-UHFFFAOYSA-N 492.579 6.191 50 10 JKGE N#CC(=Cc1cc(Br)ccc1OCc1ccccc1Cl)C(=O)Nc1ccc(O)cc1 2297624593 HVVOOLKNUZQDFG-UHFFFAOYSA-N 483.749 5.933 50 10 JKGE O=S1(=O)CCC[C@H]1[C@@H](Br)c1ccc(OCc2ccccc2)cc1Br 2299534342 CKSHYNXCPADMLB-ROUUACIJSA-N 474.214 5.041 50 10 JKGE N#CC(=Cc1cc(Br)c(Sc2ccc(Cl)cc2)o1)C(=O)Nc1ccc(Cl)cc1 2313562559 WTTRNHMSUBXARS-UHFFFAOYSA-N 494.197 7.046 50 10 JKGE CCc1ccc(NC(=O)C(C#N)=Cc2ccc(OCc3c(Cl)cccc3Cl)c(OC)c2)cc1 2313670686 OZXULFBDKDNQGK-UHFFFAOYSA-N 481.379 6.689 50 10 JKGE CCCOc1cccc(-c2nn(-c3ccccc3)cc2C=C(C#N)C(=O)Nc2ccc(C)cc2)c1 2314476816 WMGPBMOQYCDXJV-UHFFFAOYSA-N 462.553 6.182 50 10 JKGE CCOc1ccc(N2C(=O)[C@H](Cc3ccccc3C)SC2=C(C#N)C(=O)Nc2ccccc2)cc1 2314591961 INMSMYOEPWRIRT-VWLOTQADSA-N 483.593 5.459 50 10 JKGE COc1ccc(OC)c([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)C=Cc4ccc(Cl)cc4)ccc32)c1 2314634681 XCTUHCDCGYTIJV-AREMUKBSSA-N 488.927 5.194 50 10 JKGE Clc1cc(I)c([C@@H](Br)C[C@@H]2CCCCC23CC3)s1 2316601684 WTVXLXMGZKABPR-UWVGGRQHSA-N 459.618 6.803 50 10 JKGE ClCc1cc(Oc2cc(Br)cc(I)c2)c(Cl)cn1 2316853426 RSUPKMNGCIBHOA-UHFFFAOYSA-N 458.908 5.633 50 10 JKGE COc1ncc(Br)c(C)c1CN(Cc1ccccc1)[C@@H](CBr)C(C)C 2319640631 AGRYGWHOBJAEAW-IBGZPJMESA-N 470.249 5.583 50 10 JKGE COc1ccc(Br)cc1[C@H](Br)c1csc(C)c1Br 2320481975 XOUDBPLUIAEBBX-ZDUSSCGKSA-N 455.009 6.074 50 10 JKGE COc1ccc(C(C#N)=Cc2ccc(OC(=O)C=Cc3ccc(Cl)cc3Cl)c(OC)c2)cc1 2320506409 IWTOXILRSHIMAY-UHFFFAOYSA-N 480.347 6.694 50 10 JKGE CCc1cccc(OCC(=O)Oc2ccc(C=C(C#N)c3ccc(OC)c(OC)c3)cc2OC)c1 2320506785 RNKHBEDDDSIJTM-UHFFFAOYSA-N 473.525 5.323 50 10 JKGE COc1cc(C=C(C#N)c2nc3ccccc3n2C)cc([N+](=O)[O-])c1OCc1cccc(C)c1 2323839224 UTHYMRUFCPVNTD-UHFFFAOYSA-N 454.486 5.442 50 10 JKGE N#CC(=CNc1cccc(C(F)(F)F)c1)C(=O)N1CCN(C(c2ccccc2)c2ccccc2)CC1 2324598971 VILNHRAWAXVSSO-UHFFFAOYSA-N 490.529 5.459 50 10 JKGE Cc1ccc(COc2ccc(C=NNC(=O)CCCCCNC(=O)OC(C)(C)C)cc2)cc1 2328801146 DLSIVAINUBOZEP-UHFFFAOYSA-N 453.583 5.109 50 10 JKGE Cc1ccc(C)c(-c2csc(C(C#N)=C(O)CCCOc3cc(C)c(Cl)c(C)c3)n2)c1 2331319807 NQVALBCICAQWSF-UHFFFAOYSA-N 453.007 7.349 50 10 JKGE COc1ccc(OC)c(-c2csc(C(C#N)=C(O)CCCOc3ccccc3Cl)n2)c1 2331325901 AIEUTLTWQCKHCJ-UHFFFAOYSA-N 456.951 6.133 50 10 JKGE CCc1cccc(CC)c1N1C[C@H](C(O)=C(C#N)c2nc(-c3ccc(C(C)C)cc3)cs2)CC1=O 2331340692 QVSMTMDJLHYFQA-HSZRJFAPSA-N 485.653 6.904 50 10 JKGE COc1ccc(-c2csc(C(C#N)=C(O)CCCOc3ccc(C)cc3)n2)c(OC)c1OC 2331412840 MSHKOYZYGLTCQH-UHFFFAOYSA-N 466.559 5.796 50 10 JKGE Fc1cc(Br)c(Br)cc1[C@H](Br)[C@H]1OC[C@@H]2CCC[C@H]12 2333605645 TUEKKZLVCMNVMI-MQXWNXJFSA-N 456.975 5.602 50 10 JKGE Clc1cc(I)c([C@@H](Br)c2cccc3ccccc23)s1 2338630305 LPKDUAYGEKTYLU-AWEZNQCLSA-N 463.565 6.644 50 10 JKGE Cc1cc(Cl)c(Cl)cc1[C@@H](Br)c1c(Br)c(Br)nn1C 2338694633 RWDPLZDTKNWHDN-SECBINFHSA-N 491.836 6.045 50 10 JKGE Fc1ccc(Br)cc1[C@@H](Cl)c1c(F)cc(Cl)c(Br)c1Cl 2360403210 XJAIPKPVBMKAPC-GFCCVEGCSA-N 465.346 7.125 50 10 JKGE Cc1cc(Cl)ccc1[C@@H](Br)c1c(F)cc(Cl)c(Br)c1Cl 2360422466 HXOWYZCJJUFHPP-GFCCVEGCSA-N 461.383 7.341 50 10 JKGE Fc1cc(Cl)c(Br)c(Cl)c1[C@@H](Cl)c1cc(Cl)ccc1Br 2360427575 AEBRDVOZCTXQSR-LBPRGKRZSA-N 481.801 7.639 50 10 JKGE COc1c(F)c(F)cc([C@H](Br)c2sc(Cl)cc2Br)c1F 2361165793 MTEIZMLPSWSRLL-QMMMGPOBSA-N 450.501 6.074 50 10 JKGE COc1ccc(C[C@@H](Br)c2c(Cl)sc(Cl)c2C)c(Br)c1 2364264621 ZPJYCZFKVYVMKP-LLVKDONJSA-N 459.030 6.813 50 10 JKGE Cc1cc([C@@H](Br)c2c(C)cc(Br)c(F)c2Br)ccc1F 2365180083 RBHNVAPYHDTNEI-CYBMUJFWSA-N 468.961 6.591 50 10 JKGE O=C(N[C@H](CCCl)COCc1ccccc1)c1ccc(Br)cc1C(F)(F)F 2369686337 BJGCFMBUEQVVAX-OAHLLOKOSA-N 464.709 5.412 50 10 JKGE Cc1cc(OCc2ccc(I)c(Br)c2)cc(C)c1CCl 2377257258 UTEVAGGAKSDPTD-UHFFFAOYSA-N 465.556 5.988 50 10 JKGE CN(C)c1ccnc(Oc2cc(Br)cc(I)c2)c1CCl 2377520354 RMISLDWIHBNTLI-UHFFFAOYSA-N 467.532 5.046 50 10 JKGE CCCCCOc1ccccc1C(=O)NC(=S)NNC(=O)c1sc2ccccc2c1Cl 14036167 PFNPDJGGTBUPRL-UHFFFAOYSA-N 476.023 5.073 50 10 JKGE C[C@@H]([C@H](Cl)c1ccccc1)[n+]1c(-c2ccccc2)cc(-c2ccccc2)cc1-c1ccccc1 15770955 OCYXPKNTLXUKNK-BNHRFMORSA-N 461.028 8.516 50 10 JKGE CCCOc1ccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)COc4ccc(C)c(C)c4)ccc32)cc1 38650693 LFKLSCACHDJCDH-MUUNZHRXSA-N 484.552 5.295 50 10 JKGE CSc1ccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)COc4ccc(C(C)C)cc4)ccc32)cc1 38682550 IIBBPCNJYJTMKP-MHZLTWQESA-N 486.593 5.734 50 10 JKGE CCCCC1CCC(C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@H]3c2cc(OC)ccc2OC)CC1 38688756 QLCFHQZOBNMVAU-AVEQNKPZSA-N 490.600 5.824 50 10 JKGE COc1ccc(Cl)cc1NC(=O)c1oc2c(c1C)/C(=N/NC(=O)c1ccccc1F)CCC2 40812320 NUIFPMMJKHWTHJ-OGLMXYFKSA-N 469.900 5.112 50 10 JKGE Cc1c(C(=O)N2c3ccccc3C[C@H]2C)oc2c1/C(=N/NC(=O)c1ccc(Cl)cc1Cl)CCC2 40813688 DZVRGZXVCFULQC-DDNOPCBBSA-N 496.394 5.957 50 10 JKGE O=C(CC[C@H](O)c1ccccc1)N/N=C\c1cc(Br)ccc1OCc1ccc(F)cc1 58892494 PKEKTGZNNHKRLG-CHVMBPBASA-N 485.353 5.131 50 10 JKGE COc1ccc([N+](=O)[O-])cc1-c1ccc(/C=N/NC(=O)c2cc3cc(Br)ccc3o2)o1 59303600 AYDMWMBADNMJLL-FOKLQQMPSA-N 484.262 5.136 50 10 JKGE O=C(N/N=C\c1ccc(Oc2ccc(C(F)(F)F)cc2[N+](=O)[O-])cc1)c1cccc(Cl)c1 59462940 SVZSSTBLDHNVNJ-ZRGSRPPYSA-N 463.799 5.823 50 10 JKGE Cc1cc([C@H](Br)c2ccccc2I)c(C)cc1Br 70472040 WBGYEQSFXDWBHV-OAHLLOKOSA-N 479.981 6.155 50 10 JKGE O=C(COc1ccc(Br)cc1Br)NN=C1CCCCCCCCCCC1 100429166 XRQCNPWSQFJUFT-UHFFFAOYSA-N 488.264 6.367 50 10 JKGE COc1cc(/C=C2/C(=O)N(Cc3ccccc3)C(=O)C(C#N)=C2C)ccc1OCc1ccccc1Cl 101335190 LHOCPAJOPPCLFT-OEAKJJBVSA-N 498.966 5.720 50 10 JKGE CC(C)(C)C1C[C@H](P(c2ccccc2)c2ccccc2)[C@@H](P(c2ccccc2)c2ccccc2)C1 102395491 QOTYJAZVQBAJTA-ACHIHNKUSA-N 494.599 7.446 50 10 JKGE CCCCCCCCOc1ccc(/C=C(/C#N)c2nc(-c3ccc(Cl)cc3)cs2)cc1 103311412 ABVVQSUDLXDOAW-XLNRJJMWSA-N 451.035 8.267 50 10 JKGE Brc1cc([C@H](Br)[C@H]2[C@H]3c4ccccc4CC[C@H]32)sc1Br 227022139 QWMKOIXUVDYMHP-KAOXEZKKSA-N 477.059 6.685 50 10 JKGE CCOc1ccc([C@@H](Br)c2ccccc2I)cc1Br 228995958 YBUKMEKIYFXIPB-OAHLLOKOSA-N 495.980 5.937 50 10 JKGE Brc1cc([C@H](Br)Cc2nc3ccccc3s2)c(Br)s1 232480485 MIKGKIYXZGSEFV-MRVPVSSYSA-N 482.060 6.562 50 10 JKGE CCOc1ccc(C)cc1[C@@H](Br)c1cc(Cl)ccc1I 233775624 LEYOFCIDDVUVCT-INIZCTEOSA-N 465.556 6.136 50 10 JKGE O=C(NN=C(CCc1ccccc1)CCc1ccccc1)c1cccc(NC(=O)c2ccc(F)cc2)c1 253561025 BOOZIQGCJAQNPL-UHFFFAOYSA-N 493.582 6.429 50 10 JKGE O=C(CSc1nc2ccccc2n1Cc1ccccc1)NN=Cc1ccc(C(F)(F)F)cc1 254506562 RWDBXPDYYVYYAE-UHFFFAOYSA-N 468.504 5.346 50 10 JKGE C[C@H](Cl)c1nc2cc(I)ccc2n1[C@@H](C)[C@H]1CCN(Cc2ccccc2)C1 312489217 JVHCXOHSYRQLHH-BQFCYCMXSA-N 493.820 6.024 50 10 JKGE COc1ccc(Br)c([C@H]2CN(Cc3ccccc3)C[C@@H]2CI)c1 382700924 YTPCBRMHNKSMGM-YJBOKZPZSA-N 486.191 5.108 50 10 JKGE CCCOc1ccc([C@H](Br)c2occc2Br)cc1Br 696527916 MTCAUZDWEOXPGJ-ZDUSSCGKSA-N 452.968 6.078 50 10 JKGE O=C1Cc2cc([C@@H](Br)c3scc(Br)c3Br)ccc2N1 705468165 RPYDWGZPDXIASG-LLVKDONJSA-N 465.992 5.252 50 10 JKGE Fc1cc(COc2c(Br)cc(Cl)cc2CBr)ccc1Br 708155846 FGXLOIMQHCTWQW-UHFFFAOYSA-N 487.388 6.478 50 10 JKGE Fc1ccc(F)c([C@@H](Br)c2cc(Br)ccc2Br)c1F 716411774 VVSXEXKAVBLPRZ-LBPRGKRZSA-N 458.897 6.113 50 10 JKGE Cc1ccc([C@@H](Br)c2ccc(F)c(Br)c2)c(C)c1Br 719532471 BKJUBVLEHUQKOJ-HNNXBMFYSA-N 450.971 6.452 50 10 JKGE Cc1ccc([C@@H](Br)c2ccccc2OCc2ccccc2)c(C)c1Br 719566053 QPSFRXPNQUQNGK-JOCHJYFZSA-N 460.209 7.129 50 10 JKGE COC[C@@H](COc1c(Br)cc(Br)cc1CBr)C(C)C 721971562 IJCDLKOAVDQOMD-NSHDSACASA-N 459.016 5.404 50 10 JKGE N#C/C(=C\c1ccccc1OCc1ccc2ccccc2c1)C(=O)Nc1cccc(Cl)c1Cl 1084165578 ARUALXNFODCYJX-PXLXIMEGSA-N 473.359 7.271 50 10 JKGE Cc1cc(C=NNC(=O)Nc2ccc(Br)cc2)c(C)n1-c1ccc(C(=O)O)c(Cl)c1 1084464283 YJOBZUIRMHFUGT-UHFFFAOYSA-N 489.757 5.364 50 10 JKGE CC(/C=C\c1ccccc1)=NNC(=O)CSc1nnc(CCc2ccccc2)n1-c1ccccc1 1084566767 RPMMSQBPAJSXMR-UEURHJFJSA-N 481.625 5.350 50 10 JKGE Cc1cccc(Cn2cc(/C=C(\C#N)C(=O)N3CCN(c4ccccc4)CC3)c3ccccc32)c1 1084605760 CBONGNSVZIZKBK-NCELDCMTSA-N 460.581 5.254 50 10 JKGE O=C(OCc1ccccc1)N1C[C@@H](CI)[C@@H](c2ccccc2OC(F)F)C1 1614626605 INXZLUBALKGHSL-WBVHZDCISA-N 487.284 5.075 50 10 JKGE Cc1c(C(=O)NNC(=O)c2ccc(Cl)cc2)oc2c1C(=NNc1ccccc1)CC(C)(C)C2 1772728940 CGQARLHUGGMLLK-UHFFFAOYSA-N 464.953 5.105 50 10 JKGE N#CC1=C(N)Oc2c(c(C(F)(F)F)nn2-c2cccc(Cl)c2)[C@@H]1c1cccc2ccccc12 1865681909 ABYDRTIPEGWEQZ-LJQANCHMSA-N 466.850 5.916 50 10 JKGE CCCc1nn(-c2cccc(Cl)c2)c2c1[C@H](c1ccc(Cl)c(Cl)c1)C(C#N)=C(N)O2 1865684855 AHGTVMLYAAYQOT-LJQANCHMSA-N 459.764 6.003 50 10 JKGE N#CC1=C(N)Oc2c(c(C(F)(F)F)nn2-c2ccc(Cl)cc2)[C@H]1c1c(Cl)cccc1Cl 1865686233 SPWFOJNVSYYLQJ-CQSZACIVSA-N 485.680 6.069 50 10 JKGE Cc1ccc([C@H]2C(C#N)=C(N)Oc3c2c(-c2ccccc2)nn3Cc2ccc(Cl)cc2)cc1 1865686381 UOGRKZBWSSVOAW-QHCPKHFHSA-N 452.945 5.778 50 10 JKGE CCCc1nn(Cc2ccc(C)cc2)c2c1[C@H](c1c(OC)ccc3ccccc13)C(C#N)=C(N)O2 1865687857 BXIQHMHGRRFJAS-SANMLTNESA-N 464.569 5.572 50 10 JKGE CCCCOc1ccc([C@H]2C(C#N)=C(N)Oc3c2c(CCC)nn3Cc2ccccc2)cc1OC 1865697019 NJBJTSXSNWBAAN-VWLOTQADSA-N 472.589 5.290 50 10 JKGE CCC[C@@H](NC(=O)C[C@H](c1ccc(OC)c(C)c1)C(C)C)C(=O)Nc1ccc(SC#N)cc1 1866773963 DBMUUNWOMSRVOF-XZOQPEGZSA-N 467.635 5.630 50 10 JKGE N#CSc1ccc(NC(=O)[C@H](Cc2ccc(F)cc2)NC(=O)c2cc(-c3ccccc3)on2)cc1 1866823123 PBYZZVQYDVCEPM-QFIPXVFZSA-N 486.528 5.034 50 10 JKGE CC[C@@](C)(NC(=O)Cc1nc(-c2ccc(C(C)C)cc2)oc1C)C(=O)Nc1ccc(SC#N)cc1 1867181853 ADOWEMQEUKWXDC-HHHXNRCGSA-N 490.629 5.813 50 10 JKGE COC(=O)c1ccc2c(O)nc(/C(C#N)=C/c3cccc(OCc4ccc(C)cc4)c3)nc2c1 1872727783 ZXFLUHULPFCSHP-CIAFOILYSA-N 451.482 5.074 50 10 JKGE COC(=O)c1ccc(/C(C#N)=C/c2ccc(OCc3ccc(Br)cc3)c(OC)c2)o1 1872728455 CKLIJBLWQUSWEV-GZTJUZNOSA-N 468.303 5.480 50 10 JKGE COc1ccc(OCCC/C(O)=C(\C#N)c2nc(-c3cccc(Br)c3)cs2)cc1 1872746233 YXHAYXDYXSUPJW-VZCXRCSSSA-N 471.376 6.233 50 10 JKGE COc1ccc(C(C)(C)C)cc1-c1csc(/C(C#N)=C(O)/C=C/c2ccc(Cl)cc2Cl)n1 1872751622 QADGGCREMSAYSD-UTWNGNFCSA-N 485.436 7.929 50 10 JKGE COc1cc(C)c(-c2csc(/C(C#N)=C(\O)c3ccc(OCC(C)C)cc3)n2)cc1C(C)C 1872753665 IEXZGJQKDYSQBI-RWEWTDSWSA-N 462.615 7.235 50 10 JKGE COc1ccc(/C=C/C(O)=C(\C#N)c2nc(-c3ccc(Oc4ccccc4)cc3)cs2)c(OC)c1 1872753729 KGVVQEJVRALCEQ-RZNGCSAPSA-N 482.561 7.126 50 10 JKGE Cc1ccc(C(C)(C)C)cc1-c1csc(/C(C#N)=C(\O)c2ccc3c(c2)C(=O)N(C(C)(C)C)C3=O)n1 1872756344 XWZKXXQEPJQSBI-GYHWCHFESA-N 499.636 6.760 50 10 JKGE C[C@H](CCl)N(Cc1ccccc1)C(=O)c1ccc(I)c(Br)c1 1914228676 ODQCTWPSYJOVQS-GFCCVEGCSA-N 492.582 5.323 50 10 JKGE C[C@@H](Br)CN(Cc1ccccc1)S(=O)(=O)c1ccc(Br)cc1Cl 1914636342 GDEMLKAKBXLTJH-GFCCVEGCSA-N 481.637 5.077 50 10 JKGE CC[C@@H](C)c1ccc(S(=O)(=O)N(Cc2ccccc2)[C@H](CBr)C2CC2)cc1 1915185386 AKIRLINRSSQPEC-VGOFRKELSA-N 450.442 5.565 50 10 JKGE CC(C)[C@H](CCl)N(Cc1ccccc1)C(=O)c1scc(Br)c1Br 1915274665 SYANWPZPYVXMCM-AWEZNQCLSA-N 479.665 6.179 50 10 JKGE Clc1ccc(C[C@@H](Br)c2c(Br)sc(Br)c2Cl)cc1 1923054458 FYDDOILVAAGWBD-MRVPVSSYSA-N 493.873 7.259 50 10 JKGE Fc1ccccc1[C@H](Cl)c1c(Br)sc(Br)c1Br 1924580180 POVPKWOPULFGPM-VIFPVBQESA-N 463.391 6.503 50 10 JKGE C[C@@H]1CCC[C@H]1[C@H](Br)c1c(Br)sc(Br)c1Br 1924581076 XDWWHJFQBSRSNT-JKMUOGBPSA-N 495.900 6.908 50 10 JKGE Cc1ccc(F)c([C@H](Cl)c2c(Br)sc(Br)c2Br)c1 1924586404 XLMAYLFNCVNTGI-JTQLQIEISA-N 477.418 6.811 50 10 JKGE Cl[C@@H](c1csc(I)c1)c1cc(C2CC2)c(Br)s1 1945803565 LIZYVAFXVCNRAG-NSHDSACASA-N 459.599 6.382 50 10 JKGE CC(C)C(=O)[C@@H](Br)Cc1cc(Br)c(Br)c(Br)c1 1946434095 FZIIMFVMGBMKQG-JTQLQIEISA-N 491.843 5.505 50 10 JKGE Clc1c(Br)sc(Br)c1[C@@H](Br)C1(CC2CC2)CC1 2015726497 UILZMLIETBGYMA-SECBINFHSA-N 463.460 6.943 50 10 JKGE Brc1cc([C@H](Br)c2cc3c(s2)CCOC3)sc1Br 2041518713 KWVUNQSKJRMGNK-LLVKDONJSA-N 473.049 5.892 50 10 JKGE CCn1c2ccccc2c2cc(C=C(C#N)c3nnc(N4CCOCC4)n3-c3ccccc3)ccc21 2042453685 YBRNYRJPTTYEJI-UHFFFAOYSA-N 474.568 5.296 50 10 JKGE COc1cc(Cl)c([C@@H](Br)c2csnc2Br)cc1Br 2082390246 RIZBMCMHGLWLRF-SNVBAGLBSA-N 476.415 5.814 50 10 JKGE COc1c(Cl)cc(Br)cc1[C@@H](Br)c1sccc1Br 2082859810 VERMQXLEWVPTCD-SNVBAGLBSA-N 475.427 6.419 50 10 JKGE CC1(C)CCC(CBr)(Cc2c(Br)cccc2Br)CC1 2100849934 YFQBSYKXBOXGIY-UHFFFAOYSA-N 453.056 6.736 50 10 JKGE Cn1nc([C@H](Br)c2ccc(F)c(Br)c2F)c(Br)c1Cl 2110731187 QPGSAKTYUNYWIC-ZCFIWIBFSA-N 479.344 5.361 50 10 JKGE Cc1cc(Br)c([C@@H](Cl)c2c(Br)nn(C)c2C)cc1Br 2131589944 JSLJMWGCOMAZFW-GFCCVEGCSA-N 471.418 5.653 50 10 JKGE FCCOc1ccccc1[C@H](Br)c1cc(Br)c(Br)s1 2132980312 ANMSQUMWVCEFDX-LBPRGKRZSA-N 472.999 6.106 50 10 JKGE Cc1cc(Br)c(C)c([C@H](Br)C2(CC3CC3)CC2)c1Br 2136378105 BOOJRSBSDKOGDS-HNNXBMFYSA-N 451.040 6.845 50 10 JKGE Cc1cc(Br)c(C)c([C@@H](Cl)c2ccc(OCc3ccccc3)cc2)c1Br 2136379898 OZCGISTXPOETMI-QFIPXVFZSA-N 494.654 7.736 50 10 JKGE Fc1ccc(Br)c(COc2cccc(Br)c2CBr)c1 2141338734 JTIYSVCXSVENTJ-UHFFFAOYSA-N 452.943 5.825 50 10 JKGE C[C@@H]1Cc2cc([C@H](Cl)c3cccc(I)c3)cc(Br)c2O1 2146616254 ONSRDJNFQLBSNE-RFAUZJTJSA-N 463.540 5.705 50 10 JKGE Clc1cccc(C[C@H](CBr)Cc2ccc(Br)cc2Br)c1 2148680972 GRCQWQKHMJWORK-LBPRGKRZSA-N 481.453 6.661 50 10 JKGE CCC(CC)(CBr)CN=[S@](=O)(CCNC(=O)OC(C)(C)C)c1ccccc1 2163655182 AYMZELNEFOLSJL-MHZLTWQESA-N 461.466 5.240 50 10 JKGE CC(C)(C)OC(=O)NC[C@H]1C[C@H](C(F)(F)F)CCN1CC1(CBr)CCCC1 2163837153 PWNRSJGOTNFMMZ-HUUCEWRRSA-N 457.375 5.109 50 10 JKGE Clc1sc(Br)c(Cl)c1[C@@H](Br)[C@@H]1CC2(CCCCC2)CO1 2166266618 MRCQFOKMMFPXJO-WPRPVWTQSA-N 463.062 6.993 50 10 JKGE Clc1sc([C@@H](Cl)c2cc(Br)cc3c2OCCC3)cc1Br 2172560198 NWUDEZKPGKJIRQ-LBPRGKRZSA-N 457.014 6.580 50 10 JKGE BrC[C@@]12CCC[C@@H](CN(Cc3cc(Br)ccc3Br)C1)C2 2199676085 UVGQNOXZCMIQHG-WBMJQRKESA-N 466.055 5.599 50 10 JKGE O=S1(=O)C[C@@H]2CCC[C@]2([C@@H](Br)c2c(Cl)sc(Br)c2Cl)C1 2201881154 PFIPWDQQKDBUTI-HQLZOWSPSA-N 483.074 5.468 50 10 JKGE O=C(c1cc(Br)cc(Br)c1)N1[C@H](CBr)CCC12CCC2 2205771945 GYLKERMVOYQQIN-ZDUSSCGKSA-N 466.011 5.134 50 10 JKGE Cc1cc(C)c(C)c([C@@H](Cl)c2ccc(Br)cc2I)c1C 2207272457 NTGDMNBFLZCUIJ-KRWDZBQOSA-N 463.584 6.616 50 10 JKGE Clc1cc(Br)c([C@H](Cl)c2cccc(Br)c2)c(Cl)c1Cl 2224317576 PALIZDHFWOFJCF-LLVKDONJSA-N 463.811 7.500 50 10 JKGE Fc1cc(Br)c(Br)cc1[C@H](Br)[C@@]12COC[C@@H]1C2(F)F 2225619535 KHLHFJZPPZHNDP-GARJFASQSA-N 464.901 5.068 50 10 JKGE CCc1ccccc1[C@H](Br)c1c(Br)cc(Cl)c(Cl)c1Cl 2232513136 PTBFAEKWLBHRLZ-ZDUSSCGKSA-N 457.420 7.456 50 10 JKGE Cc1cc(Br)c([C@@H](Cl)c2cccc(F)c2I)c(C)c1Cl 2232514155 TYWHHADSHWKTGZ-AWEZNQCLSA-N 487.965 6.791 50 10 JKGE CC[C@@H](C[C@H](Br)c1c(Br)cc(Cl)c(Cl)c1Cl)C(C)(C)C 2232518390 BVAMVMVIUQWBTP-IUCAKERBSA-N 465.484 8.308 50 10 JKGE CC[C@H](c1ccccc1)[C@H](Br)c1cc(Br)c(Br)cc1F 2233976042 NGEHBDANPQUJGT-BZNIZROVSA-N 464.998 6.981 50 10 JKGE Fc1ccc([C@@H](Cl)c2ccc3c(c2Br)CCO3)c(I)c1 2238070882 ISCMKAQOTVAZGM-OAHLLOKOSA-N 467.503 5.456 50 10 JKGE O=C(Nc1ccc(Cl)cc1CBr)c1cccc(F)c1I 2239470687 GMTKZAAVAIRXEX-UHFFFAOYSA-N 468.491 5.231 50 10 JKGE Fc1cc(Br)c(F)c(Br)c1[C@H](Br)c1csc(Cl)c1 2260000421 CJDQNKCWXVHWJR-SECBINFHSA-N 481.381 6.689 50 10 JKGE COc1cc(Cl)c(Cl)cc1[C@H](Cl)c1scc(Br)c1Br 2264368645 MGHCWJOKBCUVRI-NSHDSACASA-N 465.421 6.917 50 10 JKGE Fc1cc(Br)c([C@H](Cl)c2scc(Br)c2Cl)c(F)c1F 2264604305 AUMKCHZTMSBAFL-QMMMGPOBSA-N 454.920 6.672 50 10 JKGE COc1cc(C)c(Br)c(C)c1[C@H](Br)c1cc(Br)co1 2270464878 RLVPQDGPFHPABW-CQSZACIVSA-N 452.968 5.914 50 10 JKGE Brc1ccc(Br)c([C@H](Br)c2ccc(C3CCC3)s2)c1 2271972444 CFDKUTNVALJABE-HNNXBMFYSA-N 465.048 7.025 50 10 JKGE C=CC[C@@]1(CBr)CCCN1Cc1c(Br)cccc1Br 2272125885 JNGNJEGXQLNPII-HNNXBMFYSA-N 452.028 5.517 50 10 JKGE Fc1cc(Br)c(F)c(Br)c1[C@H](Br)[C@@H]1C[C@@H]1C(F)(F)F 2272842518 PVAGFBCLGDBQSP-PDJPSNROSA-N 472.871 6.124 50 10 JKGE Cc1c(Br)sc([C@H](Cl)c2cscc2S(C)(=O)=O)c1Br 2272866712 WXFOZSPPTJDJFA-SECBINFHSA-N 464.653 5.375 50 10 JKGE C[C@H](C1CCCCC1)[C@H](Br)Cc1cc(Br)cc(Br)c1 2277965816 NMYISJVWMGVQAF-BDJLRTHQSA-N 453.056 6.734 50 10 JKGE COc1c(Br)cc([C@H](Br)C2(Br)CCC2)c(OC)c1C 2278040544 XNUKNJGJTRYQJS-ZDUSSCGKSA-N 457.000 5.528 50 10 JKGE CCn1cc(Br)c([C@@H](Br)c2cc3sc(Br)cc3s2)n1 2278094478 RMSIRRIWLGUAAA-NSHDSACASA-N 485.064 6.189 50 10 JKGE COc1ccc([C@H](Br)c2cccc(F)c2Br)c(Br)c1Cl 2283564757 VEEKOKXYLYNDPZ-LLVKDONJSA-N 487.388 6.497 50 10 JKGE COc1c(Br)cc(C)cc1[C@H](Cl)c1ccc(Cl)c(I)c1 2283582702 LBWQPYLQBDTWCV-CQSZACIVSA-N 485.974 6.352 50 10 JKGE COc1c([C@@H](Br)c2c(Br)cc(C)c(Cl)c2C)csc1Cl 2284305497 POWDKWIZKSEVJJ-LLVKDONJSA-N 459.030 6.927 50 10 JKGE Cc1cc(Cl)c(Cl)cc1[C@H](Cl)c1cc(Br)c(Br)cc1F 2286514393 LDDCQEQGRAPGIW-AWEZNQCLSA-N 461.383 7.294 50 10 JKGE Fc1cc(Br)c(F)c(Br)c1[C@@H](Br)C1(CC2CC2)CCC1 2288373200 GPKVAQCXXHHHKU-CQSZACIVSA-N 472.993 6.896 50 10 JKGE CCOC(=O)C(C#N)=Cc1ccc(OC(=O)C(C#N)=Cc2ccc(C(C)C)cc2)c(OCC)c1 2293190719 JDDMQOFKRDFMKQ-UHFFFAOYSA-N 458.514 5.191 50 10 JKGE CCOc1ccc(NC(=O)C(C#N)=Cc2cn(CC(=O)Nc3ccccc3)c3ccccc23)cc1 2294149871 ZJSPPUZHBWOBJI-UHFFFAOYSA-N 464.525 5.224 50 10 JKGE N#CC(=Cc1ccc(-c2cc([N+](=O)[O-])ccc2Cl)o1)C(=O)Nc1cc(C(F)(F)F)ccc1Cl 2295187717 BZIJNMCPMYDBOI-UHFFFAOYSA-N 496.228 6.726 50 10 JKGE COc1cccc(Br)c1[C@H](Cl)Cc1cc(Br)cc(Br)c1 2295330771 ZQOMGJMRQDKWHQ-CYBMUJFWSA-N 483.425 6.505 50 10 JKGE COc1cc(Br)ccc1[C@H](Br)c1cc2sc(Br)cc2s1 2295508132 AWPMQOXZGQUQEC-AWEZNQCLSA-N 497.071 6.981 50 10 JKGE CCOc1ccccc1NC(=O)C(C#N)=Cc1ccc(COc2cccc(C(F)(F)F)c2)o1 2295680581 QZDGUGMGXKATSC-UHFFFAOYSA-N 456.420 5.822 50 10 JKGE CCc1ccccc1NC(SCc1ccc(F)cc1)=C(C#N)S(=O)(=O)c1ccccc1 2297349985 JPMQYBBSUAAOPQ-UHFFFAOYSA-N 452.576 5.900 50 10 JKGE COc1ccc(NC(SCc2cc(C)ccc2C)=C(C#N)S(=O)(=O)c2ccccc2)cc1Cl 2297350061 RAUVHPOQDVVIMI-UHFFFAOYSA-N 499.057 6.477 50 10 JKGE N#CC(=Cc1ccc(-c2ccc(-n3cnnn3)cc2)o1)c1nc(-c2ccc(Cl)cc2)cs1 2297579112 FGBQKWCLIYEFIS-UHFFFAOYSA-N 456.918 5.763 50 10 JKGE CCOC(=O)c1c(NC(=O)C(C#N)=Cc2cccc3ccccc23)sc2c1CC[C@H](CC)C2 2314572330 YQGDUMLWVJPVNP-KRWDZBQOSA-N 458.583 6.139 50 10 JKGE Cc1ccc(C[C@@H]2SC(=C(C#N)C(=O)NCc3ccccc3)N(c3ccc(C)c(C)c3)C2=O)cc1C 2314592971 FELDCCBVZQUQTR-MHZLTWQESA-N 495.648 5.663 50 10 JKGE COCc1ccc([C@@H](Br)c2cc(Br)cc(Br)c2)s1 2315096803 CZSOQAXPYWGZLJ-ZDUSSCGKSA-N 455.009 5.904 50 10 JKGE CCCc1sc(Br)cc1[C@H](Br)c1ccc(OCc2ccccc2)cc1 2316174243 XRRASUVZTGQRCH-OAQYLSRUSA-N 480.265 7.526 50 10 JKGE Clc1cc(I)c([C@H](Br)[C@@H]2OC[C@@H]3CCCC[C@@H]32)s1 2316597872 XAYDFHCBNXHJSR-LDDIKCJXSA-N 461.590 5.647 50 10 JKGE COc1ccc(C(C#N)=Cc2ccc(OC(=O)CCCOc3ccccc3)c(OC)c2)cc1OC 2320506907 UNDHTEOFMSTBFZ-UHFFFAOYSA-N 473.525 5.541 50 10 JKGE N#CC(=CNc1ccc(I)cc1)C(=O)Nc1cc(Cl)ccc1Cl 2324391819 YEAPLFAZDDNUET-UHFFFAOYSA-N 458.086 5.056 50 10 JKGE BrC[C@@H]1CCCCCN1Cc1ccc(I)c(Br)c1 2325212606 PNGNQSFYJPTHIY-LBPRGKRZSA-N 487.017 5.193 50 10 JKGE CSCC[C@@H](C(O)=C(C#N)c1nc(-c2ccccc2Cl)cs1)N1C(=O)c2ccccc2C1=O 2331271339 JUPXCXNLGCOIAK-FQEVSTJZSA-N 496.013 5.674 50 10 JKGE CCc1cccc(C)c1N1C[C@H](C(O)=C(C#N)c2nc(-c3ccc(Cl)cc3)cs2)CC1=O 2331299315 TYWRTHDLKRYIQR-GOSISDBHSA-N 463.990 6.180 50 10 JKGE Cc1cccc(N2C(=O)c3ccc(C(O)=C(C#N)c4nc(C(C)(C)C)cs4)cc3C2=O)c1C 2331306049 DKRAFOGDSOHQRM-UHFFFAOYSA-N 457.555 5.808 50 10 JKGE N#CC(=C(O)c1ccc(N2C(=O)c3ccccc3C2=O)cc1)c1nc(-c2ccc(F)c(F)c2)cs1 2331351666 NLEPXCLSSAXACG-UHFFFAOYSA-N 485.471 5.839 50 10 JKGE CCCN[C@@H](c1c(F)cc(Br)c(F)c1Br)[C@@H]1C[C@H]1Br 2334719253 DIIWCPBWCCFZFZ-FRSIUCEKSA-N 461.970 5.314 50 10 JKGE CC(F)(F)CCC[C@H](Br)c1c(Cl)cc(Br)c(F)c1Br 2337091043 VDBOBCPOTZQLJY-LURJTMIESA-N 487.379 7.266 50 10 JKGE Fc1ccc([C@H](CBr)Cc2ccc(Cl)c(I)c2)cc1 2337224740 CSUSTLNRDSLTQC-LBPRGKRZSA-N 453.520 5.805 50 10 JKGE Cc1nc(Br)c([C@@H](Br)c2cc(Br)c(Cl)cc2F)n1C 2337281399 QFJDUQSKAPDLNW-JTQLQIEISA-N 475.381 5.530 50 10 JKGE CC1(C)OCCC[C@@]1(CBr)Cc1cc(I)ccc1Cl 2352349115 ZKTCAXXGCFDQBF-HNNXBMFYSA-N 457.577 5.457 50 10 JKGE Cc1cc(Br)c(C(C)C)cc1[C@@H](Cl)c1sccc1I 2352790731 PLCZOTNXHYZLLG-CQSZACIVSA-N 469.613 6.875 50 10 JKGE Cc1cc(Br)c(C)c([C@@H](Br)[C@H]2CC[C@@H]3[C@H]2C3(F)F)c1Br 2357917193 WVLULHMJRJHATI-NVVZYBJKSA-N 472.993 6.556 50 10 JKGE Fc1c(Br)cc(Cl)c([C@H](Br)CC2CCCCCC2)c1Br 2362230706 RRLMYRCBMHIKAC-SNVBAGLBSA-N 491.464 7.801 50 10 JKGE Fc1cc(CBr)c(N2CCC[C@H]2[C@@H]2CCN(Cc3ccccc3)C2)cc1Cl 2362394399 MGRRZELTDCQDPF-UTKZUKDTSA-N 451.811 5.865 50 10 JKGE COc1c(Br)cc(C)c([C@@H](Br)CC[C@@H]2CCCO2)c1Br 2365231651 NJGXUVDRNITZEW-QWRGUYRKSA-N 471.027 5.924 50 10 JKGE FC1(F)C[C@](CBr)(Cc2ccc(Cl)cc2I)C12CCC2 2366714067 FMTLKERAMMLASU-ZDUSSCGKSA-N 475.542 6.078 50 10 JKGE C[C@@H]1[C@@H](C(F)(F)F)N(CC2(CBr)CC(C)(C)C2)CCN1C(=O)OC(C)(C)C 2371133142 LUGUUAUYBVJDIO-KGLIPLIRSA-N 457.375 5.060 50 10 JKGE FC(F)(F)[C@@H]1C[C@H](Cl)CCN1Cc1ccc(I)c(Br)c1 2377327958 XVZPTGJFXJGWTE-SKDRFNHKSA-N 482.509 5.188 50 10 JKGE CC(C)(C)Oc1ccc([C@@H](Cl)c2sccc2I)cc1Br 2381312942 JFXCQBKJOVOSII-CYBMUJFWSA-N 485.612 6.621 50 10 JKGE O=C(N[C@@H](CCBr)COCc1ccccc1)C1CCC(CC(F)(F)F)CC1 2381931095 SURPOQBAKHMEFC-VJFUWPCTSA-N 450.339 5.232 50 10 JKGE CC(C)(C)c1cc(CCC(=O)N/N=C/c2cc(Cl)cc(Cl)c2O)cc(C(C)(C)C)c1O 1878699 BSJNTYQOSROBFQ-UVHMKAGCSA-N 465.421 6.083 50 10 JKGE Cc1cc(SCC(=O)N/N=C2\C[C@@H](c3ccccc3)Oc3ccccc32)c(C)cc1Br 12564120 FAYLRPLVHQHGHI-BHZNVDEZSA-N 495.442 6.202 50 10 JKGE CC[C@H](C)c1ccc(OCC(=O)NNC(=O)c2cc(Br)ccc2OCCC(C)C)cc1 14650784 RBEVLYIMSMJPSN-KRWDZBQOSA-N 491.426 5.228 50 10 JKGE COc1ccc(/C(C#N)=C\c2cccc(OC(=O)c3ccc(Cl)c(Cl)c3)c2)cc1OC 31902904 MTEPRWZLJKLWDE-ZDLGFXPLSA-N 454.309 6.294 50 10 JKGE CCCCCCOc1ccc(/C=N/NC(=O)CSc2nc3ccccc3[nH]2)cc1OCC 32522843 BTLGNQVKQXZFQX-PCLIKHOPSA-N 454.596 5.163 50 10 JKGE N#C/C(=C/c1ccc(N2N=C(c3ccccc3)C[C@@H]2c2ccccc2)cc1)c1nc2ccccc2[nH]1 33568775 JPIKBXUHKUNOIU-IAULFNNHSA-N 465.560 6.983 50 10 JKGE N#C/C(=C\c1ccc(-c2cccc(Cl)c2Cl)o1)C(=O)Nc1cc(Cl)cc(Cl)c1 33721209 BTJKUTYEEOOMCR-IZZDOVSWSA-N 452.124 7.106 50 10 JKGE CCCCOc1ccc(/C=C(/C#N)C(=O)Nc2ncc(Cc3cccc(Cl)c3)s2)cc1OC 33769134 MBMNCIFODPLMNF-ODLFYWEKSA-N 482.005 6.120 50 10 JKGE N#C/C(=C/c1ccc(-c2cccc([N+](=O)[O-])c2)o1)C(=O)Nc1ncc(Cc2ccccc2Cl)s1 33903918 DJZZQEAOGPAACY-BOPFTXTBSA-N 490.928 6.101 50 10 JKGE CCCCOc1ccc(-c2nn(-c3ccccc3)cc2/C=C(/C#N)C(=O)NCc2ccco2)c(C)c1 34715604 NCDMZIAQVAATAS-XLNRJJMWSA-N 480.568 5.843 50 10 JKGE Cc1cccc(NC(=O)Cn2cc(/C=C(\C#N)c3nc(O)c4ccccc4n3)c(-c3ccccc3)n2)c1 34988204 ZCFALBZSYDRDNS-RCCKNPSSSA-N 486.535 5.210 50 10 JKGE CCOC(=O)c1ccc(-c2ccc(/C=C(\C#N)S(=O)(=O)c3ccc(Br)cc3)o2)cc1 34990160 DSXFEINWSLRCAS-DEDYPNTBSA-N 486.343 5.224 50 10 JKGE N#C/C(=C\c1ccc(-c2cc(Cl)ccc2Cl)o1)c1nc(O)c2cc(Br)ccc2n1 35519445 HLUREWJSPWLMFI-YRNVUSSQSA-N 487.140 6.729 50 10 JKGE CCN1C(=O)C(C#N)=C(C)/C(=C\c2cn(-c3ccccc3)nc2-c2ccc(OCC(C)C)cc2C)C1=O 38603198 XLLSODKOIBYEGA-CVKSISIWSA-N 494.595 5.495 50 10 JKGE CCOc1ccc(C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@H]3c2ccc(Cl)c(Cl)c2)cc1 38655811 YYRWDVODRDGBSZ-QHCPKHFHSA-N 481.335 5.829 50 10 JKGE CCCCOc1ccc(C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@H]3c2ccccc2OCCC)cc1 38681576 HQWZIPLSZUXQIT-NDEPHWFRSA-N 498.579 6.092 50 10 JKGE CCCOc1cccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)Cc4cccc5ccccc45)ccc32)c1 38684453 BQSYQKLBCDRFKI-PMERELPUSA-N 490.559 5.995 50 10 JKGE N#C/C(=C\c1ccc(-c2ccccc2Cl)o1)C(=O)Nc1sc2c(c1C(N)=O)CCCC2 39884974 CQTOMXZDINTKTQ-ACCUITESSA-N 451.935 5.185 50 10 JKGE C=CCOc1cccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4cccc5ccccc45)ccc32)c1 40529884 DOCVIVHTQODKIT-MUUNZHRXSA-N 474.516 5.842 50 10 JKGE COc1cc(/C=N\NC(=O)CC[C@@H](O)c2ccccc2)cc(Br)c1OCc1ccccc1 58886547 YTLJALQIOMNNRR-IEZSBWOXSA-N 497.389 5.001 50 10 JKGE O=C(CSc1c(Cl)c(Cl)c(Cl)c(Cl)c1Cl)N/N=C1\C(=O)Nc2ccccc21 59165394 HEYROQMZYCOFKA-UHFFFAOYSA-N 483.591 5.518 50 10 JKGE COc1cc(/C=C(\C#N)C(=O)Nc2ccccc2C)ccc1OCc1ccc(Cl)cc1Cl 59201388 NPCTXVDBMYPZDC-YBFXNURJSA-N 467.352 6.435 50 10 JKGE CCc1ccc(/C=C(/C#N)S(=O)(=O)c2cc(Br)ccc2Br)cc1 96792481 PFSNZCSAHYQVMP-DHDCSXOGSA-N 455.171 5.112 50 10 JKGE Brc1cccc(Br)c1O[C@H]1C[C@H](Br)C12CCCCCC2 97638415 RBULJNMIHHHASP-KBPBESRZSA-N 467.039 6.467 50 10 JKGE CCCOc1ccc(/C=C(/C#N)C(=O)Nc2sc(C(=O)OC(C)C)c(C)c2C(=O)OCC)cc1 98027933 NHYFJUASBJFFEB-AQTBWJFISA-N 484.574 5.133 50 10 JKGE CCCCCCCOc1ccc(C(=O)NC(=S)NNC(=O)Cc2cccc3ccccc23)cc1 100154502 BABXAQSCSCRPJG-UHFFFAOYSA-N 477.630 5.067 50 10 JKGE CCN1C(=O)C(C#N)=C(C)/C(=C\c2cn(-c3ccccc3)nc2-c2ccc(OC(C)C)c(C)c2)C1=O 101332501 HINPOKJTDJWKHO-BUVRLJJBSA-N 480.568 5.247 50 10 JKGE Brc1ccc(Br)c([C@H](Br)c2cc3c(s2)CCCC3)c1 109844392 UXVCBWYWHXKMNQ-HNNXBMFYSA-N 465.048 6.636 50 10 JKGE CSc1ccccc1[C@H](Br)c1cc(Br)c(Br)s1 128247813 PFMQOEGQQXYOOR-NSHDSACASA-N 457.050 6.479 50 10 JKGE Cc1cc(Br)c([C@H](Br)Cc2cccc(F)c2F)cc1Br 128758002 FYIWOPNUFCRTJI-CYBMUJFWSA-N 468.961 6.477 50 10 JKGE Brc1ccc(Br)c([C@H](Br)Cc2nc3ccccc3o2)c1 161326061 CJXHFTMYPHUZCC-GFCCVEGCSA-N 459.963 6.032 50 10 JKGE Nc1cccc(C(=O)N/N=C\c2ccc(-n3nc(-c4ccccc4)cc3-c3ccccc3)cc2)c1 169894404 VXGLNRPSMMAGRP-GTWSWNCMSA-N 457.537 5.552 50 10 JKGE COC(=O)c1c(NC(=O)/C(C#N)=C\c2ccc(-c3ccccc3F)o2)sc2c1CCCC2 209397198 IBKCVJAECRJKAZ-OWBHPGMISA-N 450.491 5.358 50 10 JKGE CCCCCCCOc1ccc(/C=C2\C(=O)N([C@H](C)c3ccccc3)C(=O)C(C#N)=C2C)cc1 214343210 DDXTUWOUFZCSET-NILAOQAMSA-N 456.586 6.389 50 10 JKGE CCOc1ccc(C)cc1[C@@H](C)NC(=O)/C(C#N)=C\Nc1ccc(-c2nc3ccc(C)cc3s2)cc1 217186682 SLTQXOFGISGNQH-KTXUMSRNSA-N 496.636 6.676 50 10 JKGE CCCO[C@@H]1[C@@H](Cl)C[C@@H]1Oc1c(Br)cc(Br)cc1Br 233235239 PFRADKDKURBXNK-GMXVVIOVSA-N 477.418 5.528 50 10 JKGE CCOc1ccc([C@H](Br)c2cc(Cl)ccc2Br)cc1Br 233790641 HTMUVTLHSUXCQO-HNNXBMFYSA-N 483.425 6.748 50 10 JKGE CO[C@H]1CCC[C@@H](Oc2c(Br)cc(CBr)cc2Br)C1 234784615 ZAHVXBAXSRIQED-WDEREUQCSA-N 457.000 5.443 50 10 JKGE COc1cc(F)c([C@@H](Br)c2cc(Br)cc(Br)c2)c(F)c1 234988440 HAFSKWJANAEVDB-AWEZNQCLSA-N 470.933 5.983 50 10 JKGE Cc1cc([C@H](Br)c2ccc(Br)cc2Br)sc1Cl 235860937 JPQDFJXIYAYKPN-LLVKDONJSA-N 459.428 6.719 50 10 JKGE Fc1ccc(C[C@@H](Br)c2cc(Br)cc(Br)c2)c(F)c1 236152751 IUVBMONCZLIUHT-CYBMUJFWSA-N 454.934 6.169 50 10 JKGE O=C(CN1CCn2c3c(c4cc(C5CCCCC5)ccc42)CCC[C@@H]31)NN=Cc1ccc(O)cc1 252621089 MSNZRLIJCGQZSO-MHZLTWQESA-N 470.617 5.238 50 10 JKGE CC(C)(C)OC(=O)N1CCC[C@](CI)(OCc2ccc(Cl)cc2)C1 303741920 VWCNDFZGTUWJHD-GOSISDBHSA-N 465.759 5.061 50 10 JKGE BrCC(CBr)(CC1CCCCC1)c1ccccc1Br 311254308 PUWVDGCHPWHJNV-UHFFFAOYSA-N 453.056 6.447 50 10 JKGE FC(F)(F)Oc1cccc([C@@H](Cl)c2cc(Br)sc2Br)c1 380271957 XXTFTUBQCLEPSX-SNVBAGLBSA-N 450.501 6.500 50 10 JKGE Fc1cc(Br)c(Cl)cc1[C@H](Cl)c1sccc1I 383322957 SVTJYJHAWXFGIE-JTQLQIEISA-N 465.940 6.236 50 10 JKGE CC(C)(C)OC(=O)NCCN1CCC(c2ccccc2CCO[Si](C)(C)C(C)(C)C)CC1 616609481 YNHDUIBKUZIVRS-UHFFFAOYSA-N 462.751 5.955 50 10 JKGE BrCc1ccc(N2CCCc3cccc(Br)c32)c(Br)c1 713308839 RBDHNNGKZMEMTO-UHFFFAOYSA-N 460.007 6.191 50 10 JKGE Cn1cc(CC(CBr)(CBr)C2CCCCC2)c(Br)n1 714089029 MYXIJKBJDMTJJD-UHFFFAOYSA-N 457.048 5.082 50 10 JKGE CCN(C[C@](C)(CI)O[C@@H](C)C1CCCCC1)C(=O)OC(C)(C)C 719739800 XYYVJHUSVYMLPZ-KXBFYZLASA-N 453.405 5.423 50 10 JKGE COc1ccccc1CNC(=O)[C@@H](c1cccs1)N(C(=O)CCl)c1cccc(C(F)(F)F)c1 725237469 IGFPXNZIXJDECV-OAQYLSRUSA-N 496.938 5.405 50 10 JKGE COc1c(C)cc(Br)c(C)c1[C@H](Br)c1cn(C)c(Br)n1 829355467 XGJLWEFFTRNSOB-GFCCVEGCSA-N 466.999 5.055 50 10 JKGE N#C/C(=C/c1ccc(OC(=O)c2cccc3ccccc23)cc1)C(=O)Nc1cccc2ccccc12 1084093814 ZUXWRXDYNSSFGV-CLCOLTQESA-N 468.512 6.758 50 10 JKGE COc1cc(/C=C(/C#N)C(=O)Nc2ccc(F)cc2)ccc1OCc1cccc2ccccc12 1084265552 HVCUQWXCKMMXHG-JCMHNJIXSA-N 452.485 6.112 50 10 JKGE COc1ccc(Cl)cc1NC(=O)C(=O)NN=Cc1cc(C)n(-c2ccc(Cl)cc2Cl)c1C 1084572287 SVPWWVJBQOAJDI-UHFFFAOYSA-N 493.778 5.152 50 10 JKGE CC(C)(C)OC(=O)N1C[C@H](CBr)[C@H](c2cc(C(F)(F)F)ccc2Br)C1 1614691152 GSWBAQNBRNYJIV-GXFFZTMASA-N 487.154 5.813 50 10 JKGE Cc1c(C(=O)Oc2cccc3ccccc23)oc2c1C(=NNC(=O)c1ccc(O)cc1)CCC2 1772745320 WPCRXLBOABTPCM-UHFFFAOYSA-N 454.482 5.136 50 10 JKGE Cc1c(C(=O)Nc2cccc3ccccc23)oc2c1C(=NNC(=O)COc1ccccc1)CCC2 1772750209 XDYKEIYAKNZCNU-UHFFFAOYSA-N 467.525 5.229 50 10 JKGE COc1cc(C=NNC(=O)COc2cccc(C)c2C)ccc1OCc1c(Cl)cccc1Cl 1772753426 FMNXHZCNMMXEDP-UHFFFAOYSA-N 487.383 5.727 50 10 JKGE COc1cc(C=NNC(=O)[C@@H](C)Oc2ccc(-c3ccccc3)cc2)ccc1OCc1ccc(C)cc1 1772755703 POPGJXCSVNVBRU-HSZRJFAPSA-N 494.591 6.167 50 10 JKGE COc1cc(C=NNC(=O)[C@@H](C)Oc2cc(C)c(Cl)c(C)c2)ccc1OCc1ccccc1C 1772756372 WGBFQSBWCWHKFM-HXUWFJFHSA-N 480.992 5.770 50 10 JKGE N#CSc1ccc(NC(=O)Oc2ccc(CNC(=O)Cc3c(F)cccc3F)cc2)cc1 1858914410 GVHFSULSGMVXOS-UHFFFAOYSA-N 453.470 5.008 50 10 JKGE N#CC1=C(N)Oc2c(c(-c3ccccc3)nn2Cc2ccc(Cl)cc2)[C@@H]1c1cccc(O)c1 1865681734 VGNIPAOFGCOMIU-JOCHJYFZSA-N 454.917 5.176 50 10 JKGE COc1ccc(-c2nn(Cc3ccccc3F)c3c2[C@H](c2ccc(C)cc2)C(C#N)=C(N)O3)cc1 1865686151 RJBNETBBBOLYLH-XMMPIXPASA-N 466.516 5.273 50 10 JKGE N#CC1=C(N)Oc2c(c(C(F)(F)F)nn2-c2ccccc2)[C@@H]1c1ccc(OCc2ccccc2)cc1 1865690672 YOWLOPBBPJICJJ-JOCHJYFZSA-N 488.469 5.688 50 10 JKGE CCCCCOc1ccc([C@H]2C(C#N)=C(N)Oc3c2c(C)nn3-c2cccc(Cl)c2)cc1OCC 1865691003 GYRGIIMVAHOPQM-VWLOTQADSA-N 493.007 6.020 50 10 JKGE Cc1ccc(COc2ccc([C@@H]3C(C#N)=C(N)Oc4c3c(C)nn4Cc3ccc(C)cc3)cc2)cc1 1865694282 WJYZCMPCDFDSPT-MUUNZHRXSA-N 476.580 5.654 50 10 JKGE Cc1nn(Cc2ccc(Cl)cc2)c2c1[C@@H](c1cc(Br)ccc1F)C(C#N)=C(N)O2 1865702140 NRYHDVBBCWDBNQ-IBGZPJMESA-N 473.733 5.013 50 10 JKGE CCc1ccc([C@H]2C(C#N)=C(N)Oc3c2c(-c2ccc(OC)cc2)nn3-c2ccccc2Cl)cc1 1865709204 QZVIHSIELBCYSZ-DEOSSOPVSA-N 482.971 5.982 50 10 JKGE CCc1ccc([C@@H]2C(C#N)=C(N)Oc3c2c(C(F)(F)F)nn3-c2ccc(Cl)c(Cl)c2)cc1 1865709535 XPAGQJNBLSOANF-QGZVFWFLSA-N 479.289 5.978 50 10 JKGE Cc1cccc([C@H]2C(C#N)=C(N)Oc3c2c(C(F)(F)F)nn3-c2ccc(Cl)c(Cl)c2)c1 1865710590 CBLSXQDOOBVTKM-INIZCTEOSA-N 465.262 5.725 50 10 JKGE Cc1nc(-c2ccc(F)cc2)ccc1C(=O)NNC(=O)c1cc(C(F)(F)F)cc(C(F)(F)F)c1 1865759541 GAIIGMASVJXBSI-UHFFFAOYSA-N 485.359 5.309 50 10 JKGE CCC[C@H](NC(=O)C[C@@H](c1ccccc1)c1cccc(F)c1)C(=O)Nc1ccc(SC#N)cc1 1866776336 MNMXRCXHDGFKLJ-DQEYMECFSA-N 475.589 5.844 50 10 JKGE CCc1cccc(CC)c1N1C[C@@H](/C(O)=C(\C#N)c2nc(-c3ccc(F)c(C)c3)cs2)CC1=O 1872749782 IFVHKGWSSZTELX-DFOVGDGWSA-N 475.589 6.228 50 10 JKGE C[C@H](Oc1ccc(Cl)cc1Cl)/C(O)=C(\C#N)c1nc(-c2cccc3ccccc23)cs1 1872751741 DGBYFIPGOHMPNC-QETBKQIWSA-N 467.377 7.530 50 10 JKGE CCOc1ccc(/C=C(C(/O)=C(\C#N)c2nc(-c3ccc(OC)c(F)c3)cs2)\c2ccccc2)cc1 1872752830 VIRAJGBQFUNVEZ-KOGQMRHXSA-N 498.579 7.390 50 10 JKGE N#C/C(=C(/O)CCCOc1ccc(Br)cc1Cl)c1nc(-c2ccc(F)cc2)cs1 1872753199 LRHJEOFFOQABAK-MNDPQUGUSA-N 493.785 7.017 50 10 JKGE COc1cc(/C=C/C(O)=C(\C#N)c2nc(-c3c[nH]c4ccccc34)cs2)cc(OC)c1OC 1872753251 NZMJMVDZCBFLNO-MFGUYFGASA-N 459.527 5.823 50 10 JKGE CCOc1ccc(/C=C/C(O)=C(\C#N)c2nc(-c3cc(Cl)cc(C)c3OC)cs2)cc1 1872757103 QPCWUERHTVTTOV-WTJRMIHXSA-N 452.963 6.685 50 10 JKGE COc1cc(C)c(-c2csc(/C(C#N)=C(\O)c3ccc4c(c3)C(=O)N(CC(C)C)C4=O)n2)cc1C 1872757967 FBAPTMJPVPOPDD-FLFQWRMESA-N 487.581 5.637 50 10 JKGE COc1cc(-c2csc(/C(C#N)=C/c3c(Cl)cccc3Cl)n2)c(OC)cc1Cl 1872793790 STFAEECZYLPMTI-IZZDOVSWSA-N 451.762 6.852 50 10 JKGE N#C/C(=C(/O)CNC(=O)c1ccc(Cl)cc1Cl)c1nc(-c2cccc([N+](=O)[O-])c2)cs1 1873940917 NCZCYAXTYRFNJI-SDXDJHTJSA-N 475.313 5.248 50 10 JKGE CC1(C)C[C@]1(Cl)[C@H](Br)c1ccc(OCc2ccccc2)cc1Br 1899856692 KPFWONLTEHDARV-MJGOQNOKSA-N 458.621 6.872 50 10 JKGE O=S(=O)(c1cccc(C(F)(F)F)c1)N(Cc1ccccc1)[C@@H](CBr)C1CC1 1915171721 GSJHTKBBSJIXNY-SFHVURJKSA-N 462.331 5.070 50 10 JKGE CC(C)[C@@H](CCl)N(Cc1ccccc1)C(=O)c1cc(Br)c(Br)s1 1915256760 DADSOLVCIXJENL-CQSZACIVSA-N 479.665 6.179 50 10 JKGE CC(C)[C@H](CBr)N(Cc1ccccc1)c1nccc2c(Br)cccc12 1915321506 FNPPZXAWMMCHPC-FQEVSTJZSA-N 462.229 6.423 50 10 JKGE Cc1cc([C@@H](Br)c2cc(Br)c(Br)s2)oc1Br 1917589090 ZQNVGOANGQSBTC-MRVPVSSYSA-N 493.840 6.421 50 10 JKGE Clc1ccc(C[C@H](Cl)c2ccc(I)c(Br)c2)nc1 1918225601 UOLPGCNPIGMCGZ-LBPRGKRZSA-N 456.936 5.625 50 10 JKGE Cc1c(Br)sc([C@@H](Br)Cc2ccccc2Cl)c1Br 1922953190 ANSHLAYFWVGFRP-VIFPVBQESA-N 473.455 6.914 50 10 JKGE Brc1cc(Br)c([C@H](Br)[C@@H]2CC[C@@H]3CCCC[C@@H]3C2)s1 1922955020 VIWFGXUDMPXAAY-ICUOPCATSA-N 471.096 7.316 50 10 JKGE Clc1ccccc1[C@H](Br)c1c(Br)sc(Br)c1Cl 1923047144 AFWMGTPMDRISBL-QMMMGPOBSA-N 479.846 7.064 50 10 JKGE CCOc1ccc([C@@H](Cl)c2c(Br)sc(Br)c2Br)cc1 1924595759 DMLCLHXDSBWKBI-LLVKDONJSA-N 489.454 6.763 50 10 JKGE Fc1ccc([C@@H](Cl)c2c(Br)sc(Br)c2Br)c(F)c1F 1924600775 UCTQHUXTMCMSBY-SSDOTTSWSA-N 499.371 6.781 50 10 JKGE CC[C@@H]1C[C@H]1[C@@H](Br)c1c(Br)sc(Br)c1Br 1924605157 NHDRXWPFGLFPAP-WYDQCIBASA-N 481.873 6.518 50 10 JKGE Cl[C@H](c1c(Br)sc(Br)c1Br)[C@H]1CCCC2(CC2)C1 1924609128 SFEHBHYBHRNMOC-XVKPBYJWSA-N 477.487 7.286 50 10 JKGE CC[C@H](C)[C@H](Cl)c1c(Br)c(Br)cc(Br)c1Br 1995049088 WJROLJCVWICAQA-DYEAUMGKSA-N 498.278 7.063 50 10 JKGE FC1(F)CCOC[C@@H]1[C@@H](Br)c1cc(Br)sc1Br 2001816488 CONHEBUXLSJNEL-SVRRBLITSA-N 454.956 5.381 50 10 JKGE Clc1nc(Cl)n(-c2cc(Br)ccc2Br)c1CBr 2006647276 GVPLQKIOMPMPDP-UHFFFAOYSA-N 463.782 5.599 50 10 JKGE CC(C)(C)[C@H](C[C@H](Br)c1cc(Br)sc1Br)C(F)F 2048750547 WIWANINNFDKQIU-SFYZADRCSA-N 469.027 7.027 50 10 JKGE CN(C[C@H]1CCN(Cc2ccccc2)C1)c1cc(Br)cc(F)c1CBr 2051131356 JOLKHZWELGZGNA-MRXNPFEDSA-N 470.224 5.441 50 10 JKGE FC1([C@@H](Cl)c2c(Br)sc(Br)c2Br)CC2(CCC2)C1 2064540634 NXGZLNLUDYLNER-QMMMGPOBSA-N 481.450 6.988 50 10 JKGE COc1cc(C)c([C@H](Cl)c2cc(I)sn2)cc1Br 2077999229 MRVZEYSMRFWHEX-LBPRGKRZSA-N 458.546 5.155 50 10 JKGE CC[C@@]12CC[C@@]([C@H](Br)c3cc(Br)c(Br)s3)(CO1)C2 2082039302 LDEDCWIWNIGBOX-WXHSDQCUSA-N 459.041 6.058 50 10 JKGE CC(C)[C@@H]1CC[C@@H](Br)[C@@H](Cc2ccc(Br)cc2Br)C1 2092268122 UYUCYDCJYAUDRR-UXIGCNINSA-N 453.056 6.590 50 10 JKGE C[C@@H]1[C@@H](n2c(CCl)nc3cc(Br)c(Cl)cc32)CCN1Cc1ccccc1 2103625556 YIKIJGOOWPHLIJ-ACJLOTCBSA-N 453.211 6.027 50 10 JKGE FC1(F)[C@H]2CC(CBr)(Cc3cc(Br)ccc3Br)C[C@@H]21 2118526309 DHFPWKSRYSYSCC-QWRGUYRKSA-N 458.966 5.811 50 10 JKGE COC1(C(F)(F)F)CC([C@H](Br)c2sc(Br)cc2Br)C1 2125550936 FAIIIRYKDDRRJW-KSHCCYOPSA-N 486.973 6.067 50 10 JKGE C[C@@]1([C@H](Br)c2c(Cl)sc(Br)c2Cl)CCCC(F)(F)C1 2132122879 KZSPYTBWRCFVGT-LDYMZIIASA-N 457.005 7.469 50 10 JKGE C[C@@]12CC[C@@](CBr)(C1)N(Cc1cc(Br)ccc1Br)C2 2134805360 XYMLFHSOCUAIDD-CABCVRRESA-N 452.028 5.351 50 10 JKGE Cc1cc(Br)c(C)c([C@H](Br)C[C@@H]2C[C@H]2C2CC2)c1Br 2136371239 SIKMJWYJSVNYEB-SGMGOOAPSA-N 451.040 6.701 50 10 JKGE COc1c(Cl)cc(Br)cc1[C@H](Br)c1scc(C)c1Br 2138252178 MSHAMTPNGLQYAQ-NSHDSACASA-N 489.454 6.728 50 10 JKGE COCC12CC([C@H](Cl)c3c(Br)sc(Br)c3Cl)(CO1)C2 2141162123 CAGBRYWAPVZHGE-HUUUCTMMSA-N 451.007 5.402 50 10 JKGE COc1ccc([C@@H](Cl)c2csc(Br)c2Br)c(OC)c1Cl 2150341719 JLGMGHBOLCONNL-SNVBAGLBSA-N 461.002 6.272 50 10 JKGE CC1(C)CC2(C1)CC(CBr)(Cc1cc(Cl)ccc1I)C2 2157154332 JDNRAXJKAOTVJZ-UHFFFAOYSA-N 467.616 6.469 50 10 JKGE FC(F)(F)[C@H]1CN(Cc2ccc(Br)cc2Br)C[C@@H]1CBr 2163286051 KDCAVKFTWQVQNO-ONGXEEELSA-N 479.960 5.217 50 10 JKGE CO[C@]1(C(F)(F)F)C[C@H]([C@@H](Br)c2c(Cl)sc(Br)c2Cl)C1 2182020793 DOKBXMFTQQLMAZ-SVNSUYFQSA-N 476.967 6.611 50 10 JKGE O=C(N[C@H](CBr)[C@H]1CC=CCC1)c1cccc(Br)c1Br 2196138462 ATNQMZXFABRIRJ-GXFFZTMASA-N 466.011 5.061 50 10 JKGE Cc1cc(Br)c(C)c([C@H](Cl)c2cc(F)ccc2Br)c1Br 2201078674 OEYVJHBATKFMTR-OAHLLOKOSA-N 485.416 7.058 50 10 JKGE Cc1cccc([C@@H](Br)c2c(Br)cc(F)c(Cl)c2F)c1Br 2201620042 XCESHBZSFIPAFH-GFCCVEGCSA-N 489.379 6.936 50 10 JKGE COc1ccc(C(C)C)cc1[C@@H](Br)c1cc(Br)c(Br)s1 2203871720 CPJTZLSZFFQPAR-CQSZACIVSA-N 483.063 6.889 50 10 JKGE O=C(c1cc(Br)ccc1Br)N1[C@@H](CBr)CCC12CCC2 2205773120 NYSMCTIZTZMLMV-LLVKDONJSA-N 466.011 5.134 50 10 JKGE COc1c(C)cc(Br)cc1[C@H](Br)c1c(Br)c(C)nn1C 2206601673 DGOAXKVNUYCFKR-LBPRGKRZSA-N 466.999 5.055 50 10 JKGE CCc1cc([C@@H](Cl)c2ccc(Br)cc2I)c(F)cc1F 2207263237 WKVKXKQQWCNMCK-HNNXBMFYSA-N 471.510 6.223 50 10 JKGE C[C@@H]1CCC[C@H]([C@H](Br)c2c(Br)sc(Br)c2Cl)O1 2214323095 DWQTURCLNGORFX-JKMUOGBPSA-N 467.448 6.320 50 10 JKGE Cc1cc(C(=O)N(Cc2ccccc2)[C@@H](CBr)C2CC2)cc(C)c1Br 2220194828 BCEQTZAVQNQMDQ-IBGZPJMESA-N 465.229 5.882 50 10 JKGE Cc1cc(Br)c([C@H](Br)c2cn(C)c(Br)n2)c(C)c1Cl 2224304029 DPYYJJLVMLRFKU-LLVKDONJSA-N 471.418 5.700 50 10 JKGE COc1cc(C)c([C@@H](Br)c2sc(C)cc2Br)cc1Br 2229301211 NMNPYMVONKSLGR-CYBMUJFWSA-N 469.036 6.383 50 10 JKGE CCOCc1cc(Br)c([C@H](Cl)c2cccc(Br)c2Cl)s1 2233008280 GWQUGCWHGQNIOL-CYBMUJFWSA-N 459.030 6.791 50 10 JKGE Cc1cc([C@@H](Br)c2cc(Cl)c(Br)cc2F)cc(C)c1Br 2235678957 OURPJDLIPULPSL-OAHLLOKOSA-N 485.416 7.105 50 10 JKGE Brc1cc(Br)cc(C[C@H](Br)[C@H]2CC23CCOCC3)c1 2277958915 MIDPALLWXKMGDA-KGLIPLIRSA-N 453.012 5.334 50 10 JKGE COc1cc(OC)c([C@@H](Br)c2ccc(Br)s2)cc1Br 2278039908 MFCXVPSTKTZBCS-CYBMUJFWSA-N 471.008 5.775 50 10 JKGE Fc1cc(Br)cc([C@H](Br)c2cc3sc(Br)cc3s2)c1 2278100956 LWDSNCFHZKFHRA-ZDUSSCGKSA-N 485.035 7.111 50 10 JKGE Cc1ccc(CBr)cc1NC(=O)c1cc(Br)c(Br)s1 2278653697 MAYWWZXVJMXQDN-UHFFFAOYSA-N 468.008 5.729 50 10 JKGE COc1c([C@@H](Br)c2nn(C)cc2Br)cc(Br)c(C)c1C 2284587474 LGUGUIBKJJYYFE-GFCCVEGCSA-N 466.999 5.055 50 10 JKGE COc1ccc([C@@H](Cl)c2cc(Br)ccc2I)c(C)c1C 2284593653 UGIFECAIDWGBDK-MRXNPFEDSA-N 465.556 6.007 50 10 JKGE COc1c(Br)cc(Cl)c(C)c1[C@@H](Cl)c1scc(Br)c1Cl 2295357225 JZUGIOBTZRMBQA-LLVKDONJSA-N 479.448 7.225 50 10 JKGE COc1cc(OC)c([C@H](Br)c2cc(Br)sc2C)cc1Br 2295422520 ZRKAMERTWCZASC-CQSZACIVSA-N 485.035 6.083 50 10 JKGE C[C@@H]1CCO[C@H]1C[C@H](Br)c1cc(Br)ccc1OCc1ccccc1 2299505242 VBVMJTKPBCJNRN-WNYOCNMUSA-N 454.202 6.279 50 10 JKGE Clc1csc([C@@H](Cl)c2cc(Br)ccc2OCc2ccccc2)c1Cl 2299524971 JLIUYESMGXQIEE-INIZCTEOSA-N 462.623 7.725 50 10 JKGE N#CC(=Cc1cc(Cl)ccc1OCc1cccc(F)c1)C(=O)Nc1ccc(Cl)c(Cl)c1 2313630876 GYRSJYAJGGJTSV-UHFFFAOYSA-N 475.734 6.911 50 10 JKGE Cc1ccc(F)cc1[C@H](Br)c1ccc(OCc2ccccc2)cc1Br 2314450500 ZYMLHPAMLHNENX-OAQYLSRUSA-N 464.172 6.960 50 10 JKGE N#CC(=Cc1ccc(-c2cc(C(F)(F)F)ccc2Cl)o1)c1nc(O)c2cc(Cl)ccc2n1 2314486626 DSVNPGFNXZOYCT-UHFFFAOYSA-N 476.241 6.985 50 10 JKGE N#CC(=Cc1cn(-c2ccccc2)nc1-c1ccc(Cl)cc1)c1nc(O)c2cc(Cl)ccc2n1 2314489252 RIBMQGIFKMKAHO-UHFFFAOYSA-N 484.346 6.559 50 10 JKGE Fc1c(Cl)cccc1[C@H](Br)c1cc(Br)ccc1OCc1ccccc1 2314490112 MFRVAJMHOLNNKH-IBGZPJMESA-N 484.590 7.305 50 10 JKGE CCOC(=O)c1c(NC(=O)C(C#N)=Cc2ccc(C(C)(C)C)cc2)sc2c1CC[C@@H](C)C2 2314571712 KQRRJQSNCWJCGZ-MRXNPFEDSA-N 450.604 5.893 50 10 JKGE CCCCCCCCOc1ccc(C=C2C(=O)N(CCCCC)C(=O)C(C#N)=C2C)cc1OC 2314610944 OOXWHCCLLSRLNX-UHFFFAOYSA-N 466.622 6.217 50 10 JKGE CCOC(=O)c1c(NC(=O)C(C#N)=Cc2ccc(OCC)c(OC)c2)sc2c1CC[C@H](C)C2 2314728462 DKPVNIMTFSFMCH-HNNXBMFYSA-N 468.575 5.003 50 10 JKGE CC1CC(C)([C@H](Br)c2c(Cl)cc(Br)c(F)c2Br)C1 2315461172 QTHUMENAFPGTTN-SKPUXYCPSA-N 463.410 6.876 50 10 JKGE CCCc1sc(Br)cc1[C@H](Br)c1cc(C)c(Br)o1 2316187419 OSPLBPUOXURQKB-LBPRGKRZSA-N 457.025 6.611 50 10 JKGE COc1ccc(C(C#N)=Cc2ccc(OC(=O)C=Cc3ccc(Cl)cc3Cl)cc2)cc1OC 2320506323 HEVLOOCMNYGJTO-UHFFFAOYSA-N 480.347 6.694 50 10 JKGE CCOC(=O)c1cnn(-c2ccc(Cl)cc2)c1NC(=O)C(C#N)=Cc1ccc(Br)cc1 2329665481 JXPLVJSGVXSXDQ-UHFFFAOYSA-N 499.752 5.011 50 10 JKGE CCOC(=O)Oc1ccc(C(O)=C(C#N)c2nc(-c3ccc(Cl)cc3Cl)cs2)cc1 2331250554 CSHKLWAYPIZQSI-UHFFFAOYSA-N 461.326 6.602 50 10 JKGE CCCCc1ccc(-c2csc(C(C#N)=C(O)C=Cc3ccc(Cl)cc3Cl)n2)cc1 2331255815 DCMABOSAWXNIFM-UHFFFAOYSA-N 455.410 7.966 50 10 JKGE CCCOc1ccc(-c2csc(C(C#N)=C(O)[C@H](C(C)C)N3C(=O)c4ccccc4C3=O)n2)cc1 2331318500 RUHZXZRCRQVQPD-QHCPKHFHSA-N 487.581 5.712 50 10 JKGE CC[C@H](C)[C@@H](C(O)=C(C#N)c1nc(-c2ccc3c(c2)OCO3)cs1)N1C(=O)c2ccccc2C1=O 2331334863 QJOKYFZJCBZVGG-FPTDNZKUSA-N 487.537 5.042 50 10 JKGE COc1cc(C=C(C#N)c2nc(-c3cc(C)ccc3C)cs2)ccc1OCc1ccc(Cl)cc1 2331445753 JBFXBPLAZCAMLM-UHFFFAOYSA-N 487.024 7.732 50 10 JKGE Cl[C@@H](c1c(Br)sc(Br)c1Br)[C@@H]1C[C@H]1C1CCCCC1 2332688664 JRRHHVJVACOALG-YGOYTEALSA-N 491.514 7.532 50 10 JKGE C=C1C(=O)O[C@@H]2C[C@@H]3[C@]4(C)CC[C@H]([C@H](C)CCC=C(C)C=O)[C@]4(C)CC[C@]34C[C@]4(CCC(=O)O)[C@H]12 2333297261 YLQIANWVVVMWMO-GUDFTYGRSA-N 482.661 6.123 50 10 JKGE FC1(F)[C@H]([C@H](Br)c2ccc(OCc3ccccc3)cc2Br)C12CCCC2 2336041546 OUPNNKRCRIXMIN-RTBURBONSA-N 486.194 7.290 50 10 JKGE COc1cc(C)ccc1[C@@H](Br)c1ccc(OCc2ccccc2)cc1Br 2336044301 MUTHQOMTNMVZCV-QFIPXVFZSA-N 476.208 6.829 50 10 JKGE Brc1ccc(OCc2ccccc2)c([C@H](Br)[C@@H]2OC[C@H]3CCCC[C@H]32)c1 2336045595 XPYWRQOLBOLGQE-OJAWGZOXSA-N 480.240 6.669 50 10 JKGE Clc1ccc(CN2CCC[C@H](CCBr)CC2)cc1I 2337225619 NTQLQYQUYAJPOD-GFCCVEGCSA-N 456.593 5.332 50 10 JKGE COc1ccc(CC[C@@H](Br)c2sc(Cl)cc2I)cc1 2338558888 PYRXITVVSJXKLA-LLVKDONJSA-N 471.585 6.084 50 10 JKGE COc1c(Br)cc(C)c([C@H](Br)[C@@H]2CC[C@@H]2OC)c1Br 2339658029 DMNUBEICAYTUSK-UBHAPETDSA-N 457.000 5.390 50 10 JKGE Cc1ccccc1[C@H](Br)c1c(C)cc(Br)c(F)c1Br 2339673934 GIIYIKHWZPQBFQ-ZDUSSCGKSA-N 450.971 6.452 50 10 JKGE Clc1cc(Cl)cc(CC[C@@H](Cl)c2cc(Br)sc2Br)c1 2341187839 ICGAGEDFRCCJQU-LLVKDONJSA-N 463.449 7.493 50 10 JKGE FC1(F)C2(CCC2)[C@@]1(CCl)Cc1ccc(I)c(Br)c1 2349843429 VKSVFDRDGQKPJI-ZDUSSCGKSA-N 461.515 5.641 50 10 JKGE ClCc1cc(OCc2ccc(I)c(Br)c2)ncc1Cl 2350077343 RKUUXKSVQGYYKF-UHFFFAOYSA-N 472.935 5.420 50 10 JKGE CN(c1ccc(F)c(Cl)c1CBr)[C@H]1C[C@@H]2C[C@@H](OCc3ccccc3)C[C@H]12 2357088607 AQWTYHCLTZLOFH-DLRJPAPCSA-N 452.795 6.194 50 10 JKGE Clc1cc(Br)c([C@H](Br)[C@@H]2CC[C@H]3C[C@@H]2CO3)c(Cl)c1Cl 2358398520 CAKBHQMVRFBAGA-BSFVXNEUSA-N 463.424 6.660 50 10 JKGE BrCC(CBr)(C[C@@H]1C[C@@H]2CC[C@H]1C2)c1ccccc1Br 2359364474 FPJVELRBJFNDBO-RDBSUJKOSA-N 465.067 6.303 50 10 JKGE Fc1cc(Cl)c(Br)c(Cl)c1[C@@H](Br)C1(CC(F)(F)F)CC1 2360425012 YMGGSZSWTOWWGF-SNVBAGLBSA-N 458.902 7.064 50 10 JKGE COc1c(Br)cc(C)c([C@H](Br)[C@@H]2C[C@@H]3C[C@@H]3CO2)c1Br 2365193674 JYJVIRXAPGAMEW-IZWKTGJZSA-N 469.011 5.390 50 10 JKGE Cc1scc([C@H](Br)c2cc(Br)c3c(c2)C[C@H](C)O3)c1Br 2369596083 JUOXWBYDRARARP-JKYUHCHBSA-N 481.047 6.389 50 10 JKGE CCCCCCOc1ccc(C(=O)NNC(=O)COc2cccc3ccccc23)cc1Br 14640759 UIQMGJDTEVIQCC-UHFFFAOYSA-N 499.405 5.401 50 10 JKGE C=CCn1c(-c2ccc(Cl)cc2)c(C)s/c1=N/NC(=O)c1cccc(Br)c1 15922376 XYDXGLSSEFKHIS-HIXSDJFHSA-N 462.800 5.373 50 10 JKGE Cc1cc([C@H]2C(C#N)=C(N)N(c3ccc([N+](=O)[O-])cc3Cl)C3=C2C(=O)CCC3)c(C)s1 20806977 NJEAKSMUYOWCSM-FQEVSTJZSA-N 454.939 5.231 50 10 JKGE COc1ccc(/C(C#N)=C\c2ccc(OC(=O)/C=C/c3ccc(Cl)cc3)c(OC)c2)cc1OC 31902092 SFBKPDLEMYXLCG-GXOHKFNASA-N 475.928 6.049 50 10 JKGE Cc1ccc(C)c(N2C(=O)CS[C@H]2c2cccc(NC(=O)[C@H](Cl)c3ccccc3)c2)c1 35910799 UNNHFTJYUHYBIP-NOZRDPDXSA-N 450.991 6.001 50 10 JKGE CCc1ccc(O[C@H](C)C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@H]3c2ccc(C)cc2)cc1 38649291 DWWZULLVJXRLJF-DWXRJYCRSA-N 454.526 5.149 50 10 JKGE CCCOc1ccccc1C(=O)Oc1ccc2c(c1)OC(N)=C(C#N)[C@H]2c1ccc(C(C)(C)C)cc1 38649876 KIVDRTKWAYHGJG-MHZLTWQESA-N 482.580 6.210 50 10 JKGE N#CC1=C(N)Oc2cc(OC(=O)COc3ccccc3)ccc2[C@H]1c1ccc(Cl)c(Cl)c1 38655716 GNZPVBBVHUBSMN-HSZRJFAPSA-N 467.308 5.196 50 10 JKGE Cc1c(Cl)cccc1Nc1ncnc(NNC(=O)C(c2ccccc2)c2ccccc2)c1[N+](=O)[O-] 40588529 GPCYMKHTIKYNTH-UHFFFAOYSA-N 488.935 5.365 50 10 JKGE Cc1ccc(NC(=O)c2oc3c(c2C)/C(=N/NC(=O)c2cncc(Br)c2)CCC3)cc1C 40822980 WVTZWVVOIOWYAU-TURZUDJPSA-N 495.377 5.085 50 10 JKGE Cc1c(C(=O)Nc2cccc3ncccc23)oc2c1/C(=N/NC(=O)c1ccc3ccccc3n1)CCC2 40825951 HVNNNYZTCURDLY-GZZLJNBRSA-N 489.535 5.407 50 10 JKGE O=C1/C(=N/NC(=O)C23CC4CC(CC(C4)C2)C3)c2ccccc2N1Cc1c(Cl)cccc1Cl 59153086 ZOFYPSYUGYQYMH-BYNJWEBRSA-N 482.411 5.577 50 10 JKGE CCCCCCCCCCCCCCCCCCNC(=S)N[C@@H]1CS(=O)(=O)C[C@H]1Cl 59568218 VQNRDDDMHSZYAC-FGZHOGPDSA-N 481.212 6.116 50 10 JKGE CCCCCCCCc1cc(CBr)c(CCCCCCCC)c(CBr)c1 60290717 AJQTXNBKYFXZDA-UHFFFAOYSA-N 488.392 9.282 50 10 JKGE CCN(CC)c1ccc(/C=C2/CCC(/C=N/NC(=O)Nc3ccccc3)=C2N2CCOCC2)cc1 89969220 BSPYRKURPAOLAV-HHMRLWQFSA-N 473.621 5.104 50 10 JKGE CC(C)OC(=O)c1ccsc1NC(=O)/C(C#N)=C\c1ccccc1OC/C=C/c1ccccc1 96438751 GNCLCUKMZRXPHZ-RPKLDDPFSA-N 472.566 5.951 50 10 JKGE C[C@H](Cl)c1nc2cc(Br)c(F)cc2n1-c1ccccc1I 97398510 AGXCBQHYXFMLDZ-QMMMGPOBSA-N 479.518 5.832 50 10 JKGE CNC(=O)/C(C#N)=C1\S[C@@H](Cc2cc(C(F)(F)F)ccc2Cl)C(=O)N1c1ccc(C)c(C)c1 101240766 PVZTUVHDAAOWOD-WDUNQMNWSA-N 493.938 5.148 50 10 JKGE CCc1ccc(N2C(=O)[C@@H](Cc3ccccc3C)S/C2=C(/C#N)C(=O)N[C@H](C)c2ccccc2)cc1 101242819 NCEQSRYKWZKHLE-VDDKWWLYSA-N 495.648 5.861 50 10 JKGE Brc1cc([C@@H](Br)[C@@H]2COc3ccccc3O2)c(Br)s1 109869872 QMIQFLPQFFNIKN-CMPLNLGQSA-N 468.992 5.549 50 10 JKGE O=C(NC[C@H]1CCCC[C@H]1CBr)c1cc(Br)c(Br)s1 126779393 FVFLCYXDTMCKCX-DTWKUNHWSA-N 474.056 5.204 50 10 JKGE COc1cc(Br)c([C@H](Br)c2ccc(C)c(Br)c2)cc1OC 130454130 XANIUFZDVFOOLP-MRXNPFEDSA-N 479.006 6.022 50 10 JKGE COc1ccc([C@@H](Cl)c2cc(Br)ccc2Br)c(OC)c1Cl 161125175 QJMITJXSPFMDOC-CYBMUJFWSA-N 454.973 6.210 50 10 JKGE Brc1cccc(CO[C@H](CI)c2ccccc2Br)c1 162545790 XIFHZOVSEMVXKD-OAHLLOKOSA-N 495.980 5.905 50 10 JKGE Cc1ccc(Cl)cc1[C@H](Br)c1cc(Br)sc1Br 213925309 LKAVSFIRUNVOJA-NSHDSACASA-N 459.428 6.719 50 10 JKGE Clc1ccc(Oc2ccc(Br)cc2Br)c(CBr)c1 218322725 IPNKTZDRPPZKBM-UHFFFAOYSA-N 455.371 6.552 50 10 JKGE COc1ccc([C@@H](Cl)c2ccc(Br)c(Cl)c2)c(OC)c1Br 224833701 NULZROBDXKPURM-AWEZNQCLSA-N 454.973 6.210 50 10 JKGE CC(C)Cc1ccc([C@H](Br)c2ccc(Br)cc2Br)cc1 232619371 VVSJVGZBUURQGJ-KRWDZBQOSA-N 461.035 6.894 50 10 JKGE COc1ccc([C@H](Cl)c2cc(Br)cc(Br)c2)c(Br)c1 234990428 SZBROSXQAQIGKB-CQSZACIVSA-N 469.398 6.311 50 10 JKGE Cc1cc([C@H](Br)c2cc(Br)ccc2I)c(C)s1 235857268 HGBZQOXJJSSVHM-ZDUSSCGKSA-N 486.010 6.216 50 10 JKGE Fc1ccc([C@H](Br)c2csc3c(Br)cccc23)cc1Br 236221127 QOHDSSZOKIANRL-AWEZNQCLSA-N 479.006 7.050 50 10 JKGE O=C(Cn1cc(C=NNC(=O)c2cccc(C(F)(F)F)c2)c2ccccc21)Nc1ccc(F)cc1 252596070 CGQUKKDMZFUTKI-UHFFFAOYSA-N 482.437 5.202 50 10 JKGE CCOc1cc(Br)c(C=NNC(=O)c2cc3c(ccc4ccccc43)o2)cc1OCC 252605613 GKRTUNANMBHMIJ-UHFFFAOYSA-N 481.346 5.910 50 10 JKGE COc1ccc(-n2c(SCC(=O)NN=Cc3ccccc3)nnc2-c2ccc(C(C)(C)C)cc2)cc1 254507643 CZSADAMSPUJQRG-UHFFFAOYSA-N 499.640 5.483 50 10 JKGE COc1ccc(C=NNC(=O)[C@H](C)Oc2ccc3ccccc3c2)cc1CSc1ccccn1 254624575 NBIZKBQEJWKETL-IBGZPJMESA-N 471.582 5.453 50 10 JKGE CCOC(=O)c1c(NN=C(C#N)c2nc3ccccc3s2)sc(SC#N)c1-c1ccccc1 254630181 QSPKHHRZLNLNCB-UHFFFAOYSA-N 489.607 6.114 50 10 JKGE CCCCCCCCCCCC(=O)NN=Cc1c(OC(=O)c2ccc(C)cc2)ccc2ccccc12 263629437 DZUCNHCLLFMYCW-UHFFFAOYSA-N 486.656 7.738 50 10 JKGE C[C@H]1[C@@H](n2c(CCCl)nc3cc(Br)c(F)cc32)CCN1Cc1ccccc1 383537541 CMFFUOFIMYKHNG-LIRRHRJNSA-N 450.783 5.555 50 10 JKGE BrCc1cc(Br)c(OC[C@@H]2CC[C@H]3C[C@H]3C2)c(Br)c1 403703899 DCTLHLOTYMFHTJ-ADEWGFFLSA-N 453.012 5.922 50 10 JKGE FC(F)(F)c1csc([C@@H](Br)c2nscc2Br)c1Br 404803843 LNYAPOIZRMYLCX-LURJTMIESA-N 485.970 6.233 50 10 JKGE N#CSc1ccc(NC(=O)Nc2cccc(C(=O)Nc3ccc(Br)cc3)c2)cc1 586732716 OSAADIZZZWIVHR-UHFFFAOYSA-N 467.348 5.919 50 10 JKGE CC(C)(C)[Si](C)(C)OCCN1CCCC[C@@H](c2cccc(CO[Si](C)(C)C(C)(C)C)c2)C1 616631204 YZZUXZYPWKEGCG-RUZDIDTESA-N 477.882 7.800 50 10 JKGE CC1(C)COc2c([C@H](Br)c3ccc(Br)o3)cc(Br)cc21 688187339 GPCRMNAECULACW-ZDUSSCGKSA-N 464.979 5.959 50 10 JKGE Fc1ccc([C@@H](Br)Cc2ccccc2Br)c(F)c1Br 691562994 SBBTWKWDCGWADL-NSHDSACASA-N 454.934 6.169 50 10 JKGE C[C@@H](Cl)c1nc2cc(I)ccc2n1CC1(CCOCc2ccccc2)CC1 702201928 WBYQFRSQBYBPKQ-MRXNPFEDSA-N 494.804 6.328 50 10 JKGE C[C@@H](Br)C[C@@H]1CCCCN1C(=O)c1scc(Br)c1Br 705420380 RMEKHMFDSYJJJS-BDAKNGLRSA-N 474.056 5.441 50 10 JKGE Clc1cc(Br)c(OCc2ccc(Br)o2)c(CBr)c1 708137404 BQYPDJPHYHRWKG-UHFFFAOYSA-N 459.359 5.932 50 10 JKGE ClCc1nc2cc(I)ccc2n1[C@@H]1CCCCCN(Cc2ccccc2)C1 709636947 VAUVWLNFSHMPBD-LJQANCHMSA-N 493.820 5.997 50 10 JKGE CCOc1cc(CBr)cc(Br)c1OCc1ncc(Br)s1 713715289 CWDUCGZXTFQESZ-UHFFFAOYSA-N 486.023 5.541 50 10 JKGE CCOc1ccc(C(=O)NN=Cc2ccc(OCc3ccc(Cl)c(Cl)c3)c(OCC)c2)cc1 1083886608 FPDNYFNFYRTGIW-UHFFFAOYSA-N 487.383 6.134 50 10 JKGE CCOc1cc(C=NNC(=O)c2ccccc2Br)ccc1OCc1ccccc1C#N 1083929401 APRHQSZJRLBLPJ-UHFFFAOYSA-N 478.346 5.062 50 10 JKGE COc1cc(C=NNC(=O)c2cc3ccccc3o2)cc(Cl)c1OCc1ccccc1F 1084052573 ZQXKMCHNAMIZHB-UHFFFAOYSA-N 452.869 5.577 50 10 JKGE C=CCOc1c(Br)cc(/C=C(/C#N)C(=O)Nc2ccc(CC)cc2)cc1Br 1084161490 YDHFCFWASKZDGW-YBEGLDIGSA-N 490.195 5.884 50 10 JKGE COc1ccc2ccc(OC)c(C=NNC(=O)c3ccc(-n4c(C)ccc4-c4ccccc4)cc3)c2c1 1084237084 OBLSJZPKQJHEHS-UHFFFAOYSA-N 489.575 6.387 50 10 JKGE Cn1c(SCCCC(=O)NN=Cc2ccccc2OCc2ccccc2)nc2ccccc21 1084303264 SREHLLUORLXZMS-UHFFFAOYSA-N 458.587 5.175 50 10 JKGE Cc1cccc(C)c1NC(=O)C(=O)NN=Cc1cccc(OCc2ccc(Cl)cc2Cl)c1 1084610090 DKJKCTVPGXPGLJ-UHFFFAOYSA-N 470.356 5.278 50 10 JKGE Fc1cc(C(F)(F)F)ccc1[C@@H]1CN(Cc2ccccc2)C[C@H]1CI 1614627320 JYZXAMCJXNNCRX-RHSMWYFYSA-N 463.256 5.495 50 10 JKGE Cc1c(C(=O)Nc2ccc(Cl)c(Cl)c2)oc2c1C(=NNC(=O)COc1ccccc1)CCC2 1772749378 KIXRNNKWPQZACI-UHFFFAOYSA-N 486.355 5.383 50 10 JKGE CCc1ccccc1NC(=O)c1oc2c(c1C)C(=NNC(=O)Cc1coc3cc(C)cc(C)c13)CCC2 1772751707 KGLALHQHFGRJJM-UHFFFAOYSA-N 497.595 6.165 50 10 JKGE CCc1nn(Cc2ccc(Cl)c(Cl)c2)c2c1[C@@H](c1cccc(Cl)c1)C(C#N)=C(N)O2 1865683204 AFPPHLKQDDOTJJ-IBGZPJMESA-N 459.764 5.672 50 10 JKGE CCc1nn(-c2ccc(C)cc2)c2c1[C@@H](c1ccccc1OCc1ccc(Cl)cc1)C(C#N)=C(N)O2 1865704283 RUNIYZVZFMZURJ-SANMLTNESA-N 496.998 6.194 50 10 JKGE CC(C)Cn1nc(-c2ccccc2)c2c1OC(N)=C(C#N)[C@H]2c1cccc(OCc2ccccc2)c1 1865711944 LVGFEHHBQPNVJI-AREMUKBSSA-N 476.580 6.003 50 10 JKGE CCC[C@@H](NC(=O)Cc1csc(COc2ccc(C)cc2)n1)C(=O)Nc1ccc(SC#N)cc1 1866586321 RIOKYCUFKBPSFZ-JOCHJYFZSA-N 494.642 5.070 50 10 JKGE CC[C@@H](C(=O)N[C@@H](CCSC)C(=O)Nc1ccc(SC#N)cc1)c1ccc(Cl)cc1 1866958340 ZKHRBUTWCSRIRT-UXHICEINSA-N 462.040 5.283 50 10 JKGE N#CSc1ccc(NC(=O)[C@H](NC(=O)CCc2csc(-c3ccccc3)n2)c2ccccc2)cc1 1867047886 RETKNUWSTWYYNB-RUZDIDTESA-N 498.633 5.812 50 10 JKGE CCc1ccc(-c2csc(/C(C#N)=C(\O)[C@@H]3CC(=O)N(c4c(C)cccc4CC)C3)n2)cc1 1872744035 FCIFTDDQRVMVNH-LXAYZEPESA-N 457.599 6.089 50 10 JKGE CCCCc1ccc(-c2csc(/C(C#N)=C(\O)CNC(=O)c3ccc(C(C)(C)C)cc3)n2)cc1 1872744889 NGUPOJDCGAZCPO-BZZOAKBMSA-N 473.642 6.673 50 10 JKGE N#C/C(=C(/O)c1ccc(N2C(=O)c3ccccc3C2=O)cc1)c1nc(-c2ccc([N+](=O)[O-])cc2)cs1 1872747087 MSWLQQRPRAFHCO-LNVKXUELSA-N 494.488 5.469 50 10 JKGE COc1cc(/C(O)=C(\C#N)c2nc(C(C)(C)C)cs2)c(Br)c(OC)c1OC 1872747743 RWQUSHJOTUPEBO-PTNGSMBKSA-N 453.358 5.179 50 10 JKGE Cc1ccc(C)c(-c2csc(/C(C#N)=C(\O)c3cc(C(F)(F)F)cc(C(F)(F)F)c3)n2)c1 1872749903 MTNMSGSNURJAAD-ZPHPHTNESA-N 468.422 7.414 50 10 JKGE C[C@@H](Oc1ccc(Cl)cc1Cl)/C(O)=C(\C#N)c1nc(-c2c[nH]c3ccccc23)cs1 1872753105 HSCKKPXLIGDBPP-DMJQWXIHSA-N 456.354 6.858 50 10 JKGE CCCCCCCOc1ccc(-c2csc(/C(C#N)=C(\O)COc3ccc(Cl)c(C)c3)n2)cc1 1872753237 NNIFQCLNKZGWQJ-RWEWTDSWSA-N 497.060 7.993 50 10 JKGE COc1c(Cl)cc(Cl)cc1-c1csc(/C(C#N)=C(\O)CCCOc2ccccc2C)n1 1872754217 IOVQPDQDTLIQLC-JZJYNLBNSA-N 475.397 7.086 50 10 JKGE COc1ccc(-c2csc(/C(C#N)=C(\O)c3ccc(NS(C)(=O)=O)cc3)n2)c2ccccc12 1872758630 JCMFWPKJOVXFFZ-ATJXCDBQSA-N 477.567 5.293 50 10 JKGE CCCc1ccc(OC/C(O)=C(\C#N)c2nc(-c3ccc(OC)c(OC)c3OC)cs2)cc1 1872759245 ICVQMLKNMIEJAQ-VZCXRCSSSA-N 466.559 5.660 50 10 JKGE CCN(Cc1ccccc1)c1ccc(/C=C(\C#N)c2nc(-c3ccc(C(C)(C)C)cc3)cs2)cc1 1872792080 DGAZQYBXOQSJTA-LGUFXXKBSA-N 477.677 8.198 50 10 JKGE COc1ccc(OC)c(-c2csc(/C(C#N)=C(O)/C=C/c3cc(OC)c(OC)c(OC)c3)n2)c1 1873920798 KLPVAOSLVSOYJC-PTYIPUSCSA-N 480.542 5.359 50 10 JKGE CCc1nn(C)c([C@H](Br)Cc2ccc(Br)cc2)c1Br 1877189836 DRWSNCRPGRTFQV-LLVKDONJSA-N 451.000 5.186 50 10 JKGE Cc1sc(C)c(S(=O)(=O)N(Cc2ccccc2)[C@@H](C)CBr)c1Br 1914351249 SUAKVRCOZCSATO-NSHDSACASA-N 481.275 5.102 50 10 JKGE C[C@H](Br)CN(Cc1ccccc1)c1ccc(C(F)(F)F)cc1Br 1914651411 PPWMTJNDRXGEEB-LBPRGKRZSA-N 451.124 6.258 50 10 JKGE CC(C)(CBr)N(Cc1ccccc1)S(=O)(=O)c1cc(Cl)cc(Cl)c1 1915771976 SOGZSKMNPIRNKW-UHFFFAOYSA-N 451.213 5.358 50 10 JKGE Cc1cccc(Br)c1[C@@H](Cl)c1sc(Br)c(C)c1Br 1922944241 XRLZRFRPFSNTTQ-LLVKDONJSA-N 473.455 6.981 50 10 JKGE C[C@@H]1C[C@@H]2C[C@@H]2C[C@@H]1[C@@H](Br)c1c(Br)sc(Br)c1Cl 1923065817 HTJMQLWDPLFSHG-BCDAVFBBSA-N 477.487 7.045 50 10 JKGE Clc1cccc(Cl)c1[C@@H](Br)c1c(Cl)sc(Br)c1Cl 1925586578 AUNQRFOVWHFXIN-MRVPVSSYSA-N 469.840 7.609 50 10 JKGE Clc1sc(Br)c(Cl)c1[C@H](Br)[C@@H]1CC[C@H]2CCCC[C@@H]2C1 1925599072 LWCVWDZNJJJYRG-DNRKLUKYSA-N 461.090 7.860 50 10 JKGE Cc1cc([C@@H](Br)c2cc(Br)c(Cl)s2)c(Br)s1 1939962371 KTEJSEJTXOPLAM-MRVPVSSYSA-N 465.457 6.781 50 10 JKGE BrCc1ccc(Br)cc1N1CC[C@H]2CN(Cc3ccccc3)C[C@@H]2C1 2049663722 ASLKLEXPUVWTIF-RBUKOAKNSA-N 464.245 5.302 50 10 JKGE Cc1cc(F)c(F)cc1[C@@H](Br)c1cc(Br)sc1Br 2083954084 TWACCVWCYZMOLJ-LLVKDONJSA-N 460.963 6.344 50 10 JKGE Cc1csc(CN(C)c2ccc(CBr)cc2Br)c1Br 2100799036 OUEIJRJDNPZZRD-UHFFFAOYSA-N 468.052 6.113 50 10 JKGE O=S(=O)(c1ccc(CBr)cc1Cl)N(CCC(F)(F)F)Cc1ccccc1 2123211465 WPTQMGXLGVGIPP-UHFFFAOYSA-N 470.738 5.378 50 10 JKGE COc1ccc([C@H](Br)c2ccc(OCc3ccccc3)cc2)c(Cl)c1Cl 2138626830 BGMRQSYEINYZFC-LJQANCHMSA-N 452.175 7.065 50 10 JKGE CSc1ccccc1[C@H](Br)c1ccc(Br)c(C)c1Br 2138854614 UDSBNQZJGDXQMN-HNNXBMFYSA-N 465.048 6.726 50 10 JKGE Cc1cc(F)cc(C)c1[C@H](Cl)c1ccc(Br)cc1I 2142286898 JMQZQCRBGKCLRU-OAHLLOKOSA-N 453.520 6.138 50 10 JKGE Clc1cc(C[C@H]2C[C@H](Br)CC3(CCC3)C2)ccc1I 2142938955 CMKJFLHKBWBXHY-STQMWFEESA-N 453.589 6.221 50 10 JKGE COc1cc(Br)c(C)cc1[C@H](Br)c1cc(Cl)cc(Br)c1 2145954147 BPVLFPONLYJFQH-OAHLLOKOSA-N 483.425 6.666 50 10 JKGE O=C(N[C@@H]1CCCC[C@@H]1CCBr)c1cc(Br)ccc1Br 2146721293 YNWBBQCJIKTTMW-QMTHXVAHSA-N 468.027 5.285 50 10 JKGE BrC[C@]1(Cc2c(Br)cccc2Br)CCCCC12CCC2 2173619192 OKYSGROHLWBANJ-QGZVFWFLSA-N 465.067 6.880 50 10 JKGE COc1c(Br)cc(C)cc1[C@@H](Br)c1c(Cl)cccc1Br 2203813173 RZAINYGTDASLCJ-CQSZACIVSA-N 483.425 6.666 50 10 JKGE Clc1cc(CN2CCC[C@@H]3CC[C@@H](Br)C[C@H]32)ccc1I 2208027422 ABPJAQSSRKWKBD-XJKCOSOUSA-N 468.604 5.473 50 10 JKGE Fc1ccc(Cl)c(F)c1[C@@H](Br)c1sc(Br)cc1Br 2219408896 RDKVFSLNLBWQIV-SECBINFHSA-N 481.381 6.689 50 10 JKGE CC[C@@H]([C@@H](Br)c1c(Br)cc(Cl)c(Cl)c1Cl)C(C)(F)F 2224304934 OJYJNVAQQHQMBG-SSDLBLMSSA-N 459.383 7.527 50 10 JKGE CC1([C@@H](Br)c2c(Br)cc(Cl)c(Cl)c2Cl)CC(F)(F)C1 2224316647 GKBAGEWBQGDECP-JTQLQIEISA-N 457.367 7.281 50 10 JKGE FCC12CC([C@H](Br)c3c(Br)cc(Cl)c(Cl)c3Cl)(CO1)C2 2232519222 JVDZPZRENNPXQW-PNESKVBLSA-N 467.387 6.364 50 10 JKGE O=[N+]([O-])c1ccc(C[C@@H](Br)c2ccccc2I)c(F)c1 2237445618 HHZACIOUVMOHIU-GFCCVEGCSA-N 450.045 5.017 50 10 JKGE CCOc1ccc(Br)cc1[C@@H](Cl)c1cc(C)ccc1I 2240994596 ADGWAWGQCLWIHA-INIZCTEOSA-N 465.556 6.089 50 10 JKGE COc1cc(Cl)c([C@H](Br)c2cc(C)ccc2I)cc1Cl 2240998729 YZIDTPBSLVSMDI-HNNXBMFYSA-N 485.974 6.399 50 10 JKGE Clc1c(Br)csc1[C@@H](Cl)c1cc(Br)ccc1Br 2246484626 ZSKKDQMMKUDBDJ-VIFPVBQESA-N 479.846 7.017 50 10 JKGE Cc1sc([C@H](Cl)Cc2cc(Br)cc(Br)c2)c(Br)c1C 2277893067 YGWDKOIHYJLDSS-GFCCVEGCSA-N 487.482 7.175 50 10 JKGE Clc1cc(CN2CCC3(CC[C@H](Br)C3)CC2)ccc1I 2287995686 KZEBMFWNAZNLMR-ZDUSSCGKSA-N 468.604 5.474 50 10 JKGE Cc1cc([C@H](Br)Cc2cc(Br)cc(Br)c2)c(Cl)cc1F 2295265569 SNGVEJKCQSJXIL-CYBMUJFWSA-N 485.416 6.991 50 10 JKGE FC(F)(F)c1sccc1[C@H](Br)c1cc2sc(Br)cc2s1 2295518131 SYSUMUVAHCDFSC-JTQLQIEISA-N 462.175 7.290 50 10 JKGE Cc1cc(=O)oc2cc(NC=C(C#N)c3nc(-c4cccc(Br)c4)cs3)ccc12 2295945660 LNDXENMANOYEKG-UHFFFAOYSA-N 464.344 5.964 50 10 JKGE Cc1cccc(C[C@@H]2SC(=C(C#N)C(=O)c3c[nH]c4ccccc34)N(c3ccccc3)C2=O)c1 2296837796 GEKLLKZHXSSATN-VWLOTQADSA-N 463.562 5.786 50 10 JKGE Cc1ccc(C)c(CSC(Nc2ccccc2F)=C(C#N)S(=O)(=O)c2ccccc2)c1 2297350091 UYLMVUOXPRHGLD-UHFFFAOYSA-N 452.576 5.954 50 10 JKGE Brc1cc(OCc2ccccc2)ccc1[C@H](Br)[C@@H]1C[C@@H]2CCC[C@H]21 2299511365 VIJIZKRHLLQMLH-RWCSOYMTSA-N 450.214 6.900 50 10 JKGE Cc1c(F)ccc(CO[C@](C)(CI)CNC(=O)OC(C)(C)C)c1Cl 2301341818 TVDAQYWTJZSVLO-QGZVFWFLSA-N 471.738 5.023 50 10 JKGE CC1(C)[C@@H](Br)C[C@@H]1OCc1ccc(I)c(Br)c1 2306299372 PSJVWYWBOTVTRB-RYUDHWBXSA-N 473.974 5.132 50 10 JKGE C=CCc1cc(C=C(C#N)C(=O)Nc2ccc(C)cc2)cc(OCC)c1OCc1cccc(F)c1 2313567791 KVNMGWWSSFJESW-UHFFFAOYSA-N 470.544 6.386 50 10 JKGE Cc1cccc(NC(=O)C(C#N)=Cc2cccc(OCc3ccc(Br)cc3)c2)c1C 2313667932 YVHUYQHYVZQFBP-UHFFFAOYSA-N 461.359 6.191 50 10 JKGE CCOc1cc(C=C(C#N)C(=O)Nc2cc(Cl)ccc2C)ccc1OCc1cccc(F)c1 2313724655 QXDCSFWGWACHKB-UHFFFAOYSA-N 464.924 6.311 50 10 JKGE C[C@@H]1Oc2ccccc2C=C1C=C(C#N)c1nc(-c2cccs2)c(NC(=O)c2cccs2)s1 2314432911 HNRYFUOZCNCTLP-HNNXBMFYSA-N 487.631 6.957 50 10 JKGE CC1=C(C#N)C(=O)N(C(C)C)C(=O)C1=Cc1cn(-c2ccccc2)nc1-c1ccc(OC(C)C)cc1C 2314611601 XVOJFHZFVXWDGN-UHFFFAOYSA-N 494.595 5.636 50 10 JKGE Cc1cc(C)c([C@@H](Br)c2cnsc2Br)c(C)c1Br 2315624574 BWLZESMWAZSMNT-LBPRGKRZSA-N 454.025 6.078 50 10 JKGE C[C@H]1C[C@@H](C)C[C@H](Br)[C@@H]1Cc1ccc(I)c(Br)c1 2325176294 VSKPZKHIOIXQSD-DNIRFERGSA-N 486.029 6.042 50 10 JKGE CCc1cccc(C)c1N1C[C@@H](C(O)=C(C#N)c2nc(-c3ccc4c(c3)CCCC4)cs2)CC1=O 2331239948 XNTREZVLQVHACO-QHCPKHFHSA-N 483.637 6.406 50 10 JKGE Cc1ccc(C(C)(C)C)cc1-c1csc(C(C#N)=C(O)COc2cc(Cl)ccc2Cl)n1 2331397168 OZBMZNQPWSZKRJ-UHFFFAOYSA-N 473.425 7.595 50 10 JKGE COc1ccc(Cl)cc1-c1csc(C(C#N)=C(O)c2ccccc2C(=O)c2ccccc2)n1 2331410821 HXINDSRXXASYOB-UHFFFAOYSA-N 472.953 6.653 50 10 JKGE N#CC(=Cc1c(OCc2ccccc2)ccc2ccccc12)c1nc(-c2ccc3c(c2)OCO3)cs1 2331453766 HFTSPXKMOJCTIV-UHFFFAOYSA-N 488.568 7.335 50 10 JKGE CCCOc1ccc(C=C(C#N)c2nc(-c3cc(Cl)c(OC)c(Cl)c3)cs2)cc1OCC 2331480340 IZOIMWOQYDUOQI-UHFFFAOYSA-N 489.424 7.377 50 10 JKGE Clc1ccc(CN[C@H](CBr)C2CCCCC2)cc1I 2337220318 BXEGXGSEYPPSQT-OAHLLOKOSA-N 456.593 5.378 50 10 JKGE Cc1ccc(CBr)cc1OCc1ccc(Cl)c(I)c1 2337270480 LVYAGQGNVROZEX-UHFFFAOYSA-N 451.529 5.727 50 10 JKGE Clc1cc(I)c([C@@H](Br)[C@@H]2CCCc3ccccc32)s1 2338558904 QEGGRGCXVODHRZ-RISCZKNCSA-N 467.597 6.562 50 10 JKGE O=[N+]([O-])c1sc(CCl)cc1Oc1cc(Br)cc(I)c1 2338754913 LMTXPQZUTXSPEA-UHFFFAOYSA-N 474.501 5.555 50 10 JKGE COc1c(Br)cc(C)c([C@H](Br)C[C@@H]2CCCO2)c1Br 2339650316 DWXDLWWPTMOEJO-VHSXEESVSA-N 457.000 5.534 50 10 JKGE CC(C)(CBr)[C@@H]1CCCN1Cc1ccc(Cl)cc1I 2341049123 LILASCFKQFDMIH-AWEZNQCLSA-N 456.593 5.330 50 10 JKGE Clc1cc(Br)c([C@H](Br)[C@H]2C[C@@H]3O[C@H]2[C@H]2C[C@@H]32)c(Cl)c1Cl 2358398705 HVARZALNBJSGPB-LTJHVZACSA-N 461.408 6.269 50 10 JKGE Fc1c(Br)cc(Cl)c([C@H](Br)[C@H]2Cc3ccccc32)c1Br 2362258232 OQLKXUFRVYBDME-TVQRCGJNSA-N 483.400 6.780 50 10 JKGE CCc1cc([C@@H](Br)Cc2ccc(OC)cc2Br)sc1Br 2364264115 TZXCFWKMDPLBAA-ZDUSSCGKSA-N 483.063 6.523 50 10 JKGE Cc1c([C@H](Cl)Cc2cc(Br)cc(Br)c2)ccc(Cl)c1Cl 2364540688 GKXGQQWVEVCYFL-CQSZACIVSA-N 457.420 7.349 50 10 JKGE Cc1cc(Br)c(F)c(Br)c1[C@H](Cl)c1cccc(Cl)c1Cl 2365188153 IOPSPZMMBJCHNE-CYBMUJFWSA-N 461.383 7.294 50 10 JKGE COc1c(Br)cc(C)c([C@@H](Br)[C@H]2COC(C)(C)C2)c1Br 2365191018 KLIFJKLEUHHYAG-SKDRFNHKSA-N 471.027 5.780 50 10 JKGE COc1c(Br)cc(C)c([C@@H](Br)C[C@@]23CCC[C@@H]2C3)c1Br 2365214673 CMOYGTGIBBBETF-XAGWURHQSA-N 467.039 6.545 50 10 JKGE COc1c(Br)cc(C)c([C@@H](Br)[C@@H]2C(F)(F)C23CC3)c1Br 2365235980 MTVXOXDITDJQKG-PWSUYJOCSA-N 474.965 6.010 50 10 JKGE O=C(N[C@@H]1CCCC[C@@H]1CCBr)c1ccc(Cl)cc1I 2365599192 UUISADGPYZSVJZ-QMTHXVAHSA-N 470.576 5.018 50 10 JKGE Clc1ccc(C[C@@H](CBr)CCc2ccccc2)c(I)c1 2366714019 DZUOVXWABUAYSK-AWEZNQCLSA-N 463.584 6.131 50 10 JKGE Clc1ccc(CN2C[C@H](Br)C[C@H]3CCCC[C@@H]32)c(I)c1 2366728742 YEQRETMOGKZDLH-KFNAQCHYSA-N 468.604 5.473 50 10 JKGE ClCC1(CNCc2ccc(I)c(Br)c2)CC2(CCC2)C1 2377321474 MSIDYPURWHTDAD-UHFFFAOYSA-N 468.604 5.333 50 10 JKGE CCN(CC)c1ccc(/C=N/NC(=O)c2cccnc2)c(OCc2c(Cl)cccc2Cl)c1 27520733 ZMKHAYSUSUBBAZ-RWPZCVJISA-N 471.388 5.578 50 10 JKGE COc1cc(/C=C(/C#N)c2ccccc2OC)ccc1OC(=O)c1ccc(-n2cccc2)cc1 31902013 CDINVLLJLPGITO-XLNRJJMWSA-N 450.494 5.778 50 10 JKGE COc1cc(/C=N/NC(=O)CSc2nc3ccccc3o2)ccc1OCc1cc(C)cc(C)c1 32519989 NBXCATAUNCUYSU-MZJWZYIUSA-N 475.570 5.275 50 10 JKGE COc1cc(CBr)cc(Br)c1OCc1cccc(Br)c1 36815508 UJDCONXCHBUDEW-UHFFFAOYSA-N 464.979 5.694 50 10 JKGE N#CC1=C(N)Oc2cc(OC(=O)c3ccc(Cl)cc3)ccc2[C@@H]1c1ccc(Br)cc1 38651582 DYYLMDMMWHDTAP-NRFANRHFSA-N 481.733 5.540 50 10 JKGE CCCCOc1ccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)Cc4ccccc4)ccc32)cc1OCC 38684086 MHMJZIWKLLMEAX-GDLZYMKVSA-N 498.579 5.630 50 10 JKGE Cc1ccc(Cl)cc1NC(=O)c1oc2c(c1C)/C(=N/NC(=O)c1ccc(Cl)cc1)CCC2 40811640 BVEQWHFREPZBGA-MTDXEUNCSA-N 470.356 5.926 50 10 JKGE Cc1cc(OC(=O)c2oc3c(c2C)/C(=N/NC(=O)c2cccc(Cl)c2)CCC3)cc(C)c1Cl 40813385 CRZSFWPWIGQTFF-TURZUDJPSA-N 485.367 6.201 50 10 JKGE Cc1ccccc1NC(=O)c1oc2c(c1C)/C(=N/NC(=O)c1ccc(Cl)cc1Cl)CCC2 40813724 NSRACRLJXZXGCY-TURZUDJPSA-N 470.356 5.926 50 10 JKGE COc1cc(/C=N/NC(=O)COc2cc(Cl)ccc2Cl)ccc1OCc1ccc(Cl)cc1 40846885 KUYPFNWKUQLHLM-KKMKTNMSSA-N 493.774 5.764 50 10 JKGE COc1cc(/C=C(/C#N)C(=O)NCc2ccccc2)ccc1OCc1c(Cl)cccc1Cl 40889241 OALJHFMRUWYNRB-UNOMPAQXSA-N 467.352 5.804 50 10 JKGE C=CCc1cc(/C=N\NC(=O)CC[C@H](O)c2ccccc2)ccc1OCc1ccc(Cl)c(Cl)c1 58891739 BFLJEPZSRDTLCN-ZSYYNXLFSA-N 497.422 6.265 50 10 JKGE N#C/C(=C/c1cc(Br)ccc1OCc1ccc(F)cc1)C(=O)Nc1ccc(Cl)cc1 59116883 CDAONDIQEFFOST-BOPFTXTBSA-N 485.740 6.366 50 10 JKGE COc1cc2c(cc1OCc1ccccc1)[C@H](Cc1ccc(O)c(OC)c1CCl)NCC2 71974129 MOZJBPNHQKVGSK-QFIPXVFZSA-N 453.966 5.157 50 10 JKGE C[C@]12CC[C@@H]3c4ccc(O)cc4C[C@H](CCCCCCCCCBr)[C@@H]3[C@@H]1CC[C@@H]2O 98090132 ILWDBZWOZQESSY-VZRADHSASA-N 477.527 7.351 50 10 JKGE CC(C)(C)c1ccc(C(=O)Nc2ccc(C(=O)NNC(=O)c3ccc(Br)cc3)cc2)cc1 100446003 RBMQSEHTCKYNTH-UHFFFAOYSA-N 494.389 5.074 50 10 JKGE C=CCOc1ccc(-c2nn(-c3ccccc3)cc2/C=C2/C(=O)N([C@H](C)CC)C(=O)C(C#N)=C2C)cc1 101303336 SZTAPJHYYATLKQ-ZFOBRQHDSA-N 492.579 5.495 50 10 JKGE CCCOc1ccc(-c2nn(-c3ccccc3)cc2/C=C(\C#N)C(=O)N[C@H](C)c2ccccc2)cc1C 102860516 SBFQQMZOTFKDDI-HWBIBUKPSA-N 490.607 6.421 50 10 JKGE CCCCOc1ccccc1/C=C(/C#N)C(=O)Nc1ncc(Cc2ccc(Br)cc2)s1 102958381 UGCHCVMLBCPOJA-RGEXLXHISA-N 496.430 6.221 50 10 JKGE CC(C)c1ccc(/C=C(/C#N)C(=O)Nc2ncc(Cc3ccc(Cl)cc3Cl)s2)cc1 102958507 NVESBZDUGVDUBY-NVMNQCDNSA-N 456.398 6.710 50 10 JKGE C=C/C(=C/C=C\CCl)NC(=O)NCc1cccc(CNC(=O)Nc2cccc(Cl)c2)c1 108872606 BOMVVWUJZDWNPT-KOEKRPRWSA-N 459.377 5.326 50 10 JKGE Br[C@@H](c1ccc(I)cc1)c1ccc(C2CCCCC2)cc1 109859653 SNLLOMWRFRACSV-LJQANCHMSA-N 455.177 6.823 50 10 JKGE COc1ccc(Br)cc1COc1ccc(Br)cc1CBr 110376615 WOGOEXMDRNTZLR-UHFFFAOYSA-N 464.979 5.694 50 10 JKGE Cc1c(Br)cccc1[C@H](Br)c1cc2c(cc1Br)OCCO2 115983613 FYVBYARVNWIQAF-INIZCTEOSA-N 476.990 5.776 50 10 JKGE COc1cc(Br)c([C@H](Br)c2ccc(Br)c(C)c2)cc1OC 137899563 GOZSTOSUXCLKTN-MRXNPFEDSA-N 479.006 6.022 50 10 JKGE C[C@H](NC(=O)N[C@@H]1CC(C)(C)C[C@@](C)(CN=C=O)C1)C1(c2ccc(Br)cc2)CC1 170290040 RVKLWLHLMJKZSF-NBCNXNJRSA-N 462.432 5.089 50 10 JKGE CCCCSc1ccc(-c2nn(-c3ccccc3)cc2/C=C2\C(=O)N(C)C(=O)C(C#N)=C2C)cc1 214205084 NIFVILGBHSMZGL-JLPGSUDCSA-N 482.609 5.654 50 10 JKGE Brc1cc([C@@H](Br)c2ccoc2Br)c(Br)s1 232483508 DAPGFTCRBSWKGC-ZETCQYMHSA-N 479.813 6.113 50 10 JKGE Cc1ccc(-n2c(C)cc(C=NNC(=O)c3ccccc3NS(=O)(=O)c3cccs3)c2C)cc1 254432175 HXJHPGBXAUVMMB-UHFFFAOYSA-N 492.626 5.029 50 10 JKGE Cc1ccc(COc2ccc(-c3cc(C(=O)NN=Cc4cccc5ccccc45)[nH]n3)cc2)cc1 254766389 ZUJYLJASRSTVOL-UHFFFAOYSA-N 460.537 5.881 50 10 JKGE FC(F)(F)c1csc([C@@H](Br)c2ccc(Br)s2)c1Br 310674648 JORVQDWJGNAUMU-QMMMGPOBSA-N 484.982 6.838 50 10 JKGE O=C(OCc1ccccc1)N1C[C@H](CBr)[C@H](c2cc(Br)ccc2Cl)C1 382687572 KHWTVLDYFUCWRQ-WMLDXEAASA-N 487.619 5.850 50 10 JKGE Cc1cc(Br)c([C@@H](Br)[C@H]2CCCCC2(F)F)cc1Br 392933530 QKDZPYJGYFUSBG-ZWNOBZJWSA-N 460.982 6.782 50 10 JKGE BrCc1c(Br)cccc1Oc1cccc(I)c1 394797240 MAALGWACWOTNPM-UHFFFAOYSA-N 467.926 5.741 50 10 JKGE Cc1cc(F)c([C@H](Cl)c2cc(Br)ccc2I)cc1Cl 395825126 SOIXOGFDYOYIKS-AWEZNQCLSA-N 473.938 6.483 50 10 JKGE BrCC(CBr)(Cc1ccc(Br)o1)C1CCCCCC1 696818463 UXAHMSIGPJUHKG-UHFFFAOYSA-N 457.044 6.331 50 10 JKGE O=[N+]([O-])c1ccc(Br)cc1Oc1cccc(Br)c1CBr 703803447 PBBOFGLPKPPMQD-UHFFFAOYSA-N 465.923 5.807 50 10 JKGE Brc1csc([C@@H](Br)Cc2cccc3ccccc23)c1Br 705493694 VWUDHHHYZVZISS-ZDUSSCGKSA-N 475.043 7.105 50 10 JKGE Cc1sc([C@H](Cl)c2ccc(Br)cc2Br)c(C)c1Br 724985787 VDOIKDHCHLXIDG-GFCCVEGCSA-N 473.455 6.981 50 10 JKGE COc1cc(C=NNC(=O)c2cc(Br)ccc2O)ccc1OCc1ccc(Cl)cc1 1084396303 JUPODTJFNYVIEE-UHFFFAOYSA-N 489.753 5.160 50 10 JKGE CCOc1ccc(NC(=O)/C(C#N)=C/c2ccc(OCc3cccc(F)c3)c(OCC)c2)cc1 1084413570 QHUSCFVDNFSGRP-KGENOOAVSA-N 460.505 5.748 50 10 JKGE CCOc1cc(C=NNC(=O)CSCc2cc(C)cc(C)c2)ccc1OCc1ccccc1 1084432989 BYNYXHXUKOXBPW-UHFFFAOYSA-N 462.615 5.665 50 10 JKGE Cc1c(C(=O)Oc2ccccc2)oc2c1C(=NNC(=O)c1ccc(Cl)cc1Cl)CCC2 1772746213 SKYMWQCLYVXAFT-UHFFFAOYSA-N 457.313 5.584 50 10 JKGE CCOc1ccc2ccccc2c1C=NNC(=O)COc1ccc(Br)cc1C(C)(C)C 1772753908 FUKWMBNTYXULQA-UHFFFAOYSA-N 483.406 5.828 50 10 JKGE O=C(CSc1nc2ccccc2s1)NN=Cc1cccc(OCc2c(F)cccc2Cl)c1 1772760435 MBVDDURTXULVAI-UHFFFAOYSA-N 485.993 5.910 50 10 JKGE N#CSc1ccc(NC(=O)Oc2ccc(CNC(=O)c3ccc(Br)o3)cc2)cc1 1858900328 CPCJAOANCVZSEH-UHFFFAOYSA-N 472.320 5.156 50 10 JKGE N#CC1=C(N)Oc2c(c(C(F)(F)F)nn2-c2ccc(Cl)c(Cl)c2)[C@H]1c1ccccc1Cl 1865686508 XBFFPDJXHUFUAJ-HNNXBMFYSA-N 485.680 6.069 50 10 JKGE CCCCCOc1ccc([C@@H]2C(C#N)=C(N)Oc3c2c(CCC)nn3-c2ccccn2)cc1OC 1865695071 IZVKMRNCUVKOPW-XMMPIXPASA-N 473.577 5.016 50 10 JKGE N#CC1=C(N)Oc2c(c(C(F)(F)F)nn2Cc2c(F)cccc2Cl)[C@@H]1c1cccs1 1865697940 GKVRSCXNJZWTRY-AWEZNQCLSA-N 454.836 5.022 50 10 JKGE CCc1nn(Cc2cccc(F)c2)c2c1[C@@H](c1ccc(OC(=O)c3ccccc3)cc1)C(C#N)=C(N)O2 1865705049 KXAIEWQEWKDFGO-VWLOTQADSA-N 494.526 5.070 50 10 JKGE CCOC(=O)c1c(NC(=O)/C(C#N)=C/c2ccc(F)cc2)sc(C(=O)OC2CCCCC2)c1C 1866127647 YDTZMHYUOVSXIC-GHRIWEEISA-N 484.549 5.408 50 10 JKGE CCc1ccc([C@H]2CN(c3cc(Nc4ccc(SC#N)cc4)nc(C(C)C)n3)CCO2)cc1 1868231911 WMTMJWZFWKBXRM-HSZRJFAPSA-N 459.619 6.057 50 10 JKGE CCCc1nc(Nc2ccc(SC#N)cc2)cc(N2CCC(N3CCCCCC3)CC2)n1 1868388107 FJZGYXVXRQFKDM-UHFFFAOYSA-N 450.656 5.591 50 10 JKGE CCCc1nc(Nc2ccc(SC#N)cc2)cc(N2CCC[C@H]2c2nc3c([nH]2)CCCC3)n1 1868389500 WNJUDMLBJQKIEJ-NRFANRHFSA-N 459.623 5.689 50 10 JKGE CC(C)N1C(=O)c2ccc(/C(O)=C(\C#N)c3nc(-c4ccc(Cl)cc4Cl)cs3)cc2C1=O 1872744894 NKRMNCFGGVUDAR-JZJYNLBNSA-N 484.364 6.071 50 10 JKGE CCOc1ccc(-c2csc(/C(C#N)=C(\O)[C@H]3CC(=O)N(c4c(C)cccc4CC)C3)n2)cc1 1872747534 HTVCSHZRZQMHPY-QXUWJFDOSA-N 473.598 5.925 50 10 JKGE COc1cc(C)c(-c2csc(/C(C#N)=C(\O)c3ccc(-c4ccccc4)cc3)n2)cc1C(C)C 1872753790 MYOWBSXEMCFLKM-FVDSYPCUSA-N 466.606 7.867 50 10 JKGE COc1cc(OC)c(-c2csc(/C(C#N)=C(\O)c3cc(OC)c(OC)c(OC)c3)n2)cc1Cl 1872756114 DDCZCTNICGJNRQ-STZFKDTASA-N 488.949 5.456 50 10 JKGE CCCCCCOc1ccc(/C=C(\C#N)c2nc(-c3ccc([N+](=O)[O-])cc3)cs2)cc1OC 1872784323 KINKXIZADZMMSY-XSFVSMFZSA-N 463.559 6.750 50 10 JKGE CCCCOc1ccc(/C(O)=C(\C#N)c2nc(-c3cc(C)ccc3OC)cs2)cc1OCC 1873920540 HZPBQXMPXCJUJF-QQTULTPQSA-N 464.587 6.655 50 10 JKGE Clc1sccc1[C@H](Br)c1cc(Br)c(Br)s1 1909315477 YKXZZIAXDVIOIT-ZETCQYMHSA-N 451.430 6.472 50 10 JKGE O=C(c1ccccc1I)N(Cc1ccccc1)[C@@H](CBr)C1CC1 1915313024 LVLICTRJMKBRKJ-SFHVURJKSA-N 484.175 5.107 50 10 JKGE CN(Cc1ccc(Br)c(F)c1F)C[C@H](Br)COCc1ccccc1 1916396136 XKLURFGBNBAPMQ-HNNXBMFYSA-N 463.160 5.139 50 10 JKGE Fc1c(Br)cccc1[C@@H](Cl)c1sc(Br)cc1Br 1922937718 BOEFNZJDPZZTDZ-SECBINFHSA-N 463.391 6.503 50 10 JKGE Clc1c(Br)sc(Br)c1[C@H](Br)[C@H]1CC12CCOCC2 1923047223 BGFSXWQEQPVWAW-HTRCEHHLSA-N 479.459 6.179 50 10 JKGE CC1CC(C[C@H](Br)c2c(Br)sc(Br)c2Cl)C1 1926974823 VOJMQFGSNSBWIF-AHXFUIDQSA-N 451.449 6.799 50 10 JKGE CCn1ncc(Br)c1[C@@H](Br)c1cc(Cl)c(Br)s1 1945454107 KHTQKKHAQKHHAH-QMMMGPOBSA-N 463.420 5.627 50 10 JKGE CN1CCC(N(Cc2ccccc2)c2ccc(Br)cc2CBr)CC1 1946826435 HVGYRHFDCJGCFN-UHFFFAOYSA-N 452.234 5.445 50 10 JKGE CCc1cc(Br)c([C@H](Br)c2scc(C)c2Br)s1 1950882674 VZCDRPCQFVKVII-JTQLQIEISA-N 459.066 6.690 50 10 JKGE Cc1cc([C@@H](Br)c2nn(C)c(Cl)c2Br)sc1Br 2001991116 FRPPCQOIKFZUDW-ZCFIWIBFSA-N 463.420 5.453 50 10 JKGE Cc1c(Br)sc([C@H](Br)[C@H]2C[C@]2(C)C(F)F)c1Br 2008187332 SKFJWLJQFGGBQN-REBBBIQUSA-N 452.984 6.309 50 10 JKGE Cc1cc(Cl)c(Br)cc1[C@H](Br)c1ncsc1Br 2023706145 UOAHNMULWUNNLT-VIFPVBQESA-N 460.416 6.114 50 10 JKGE COc1cc(C)c([C@H](Br)c2cc(Br)sn2)cc1Br 2078004116 VFNNISBRWZJDIE-LBPRGKRZSA-N 455.997 5.469 50 10 JKGE Cc1c(Br)ccc([C@@H](Br)c2ccccc2Br)c1Br 2083341273 YGODALRJYQETLO-AWEZNQCLSA-N 497.850 6.767 50 10 JKGE Clc1ccc(C[C@@H](Cl)c2ccc(Br)cc2I)nc1 2086148641 DMPIOJVGXUUBQH-GFCCVEGCSA-N 456.936 5.625 50 10 JKGE Fc1ccc([C@H](Cl)c2cc(C3CC3)c(Br)s2)c(I)c1 2094673460 LDXVLBBPHVZMTB-ZDUSSCGKSA-N 471.560 6.460 50 10 JKGE C[C@H](Cl)c1nc2cc(Br)c(Cl)cc2n1[C@H]1CC[C@@H]1OCc1ccccc1 2103806915 FCDNPWDDRGYSSS-KHDYIWLOSA-N 454.195 6.672 50 10 JKGE Brc1cccc(Br)c1CN1CC[C@@H](Br)CC12CCC2 2113562937 ACIFVJHTGYNEBG-LLVKDONJSA-N 452.028 5.494 50 10 JKGE Cc1cc(Br)c(C)c([C@@H](Br)C2CCC(F)CC2)c1Br 2136371750 UWEXRAWEYJZQLZ-NWHVRFAMSA-N 457.019 6.793 50 10 JKGE Cc1cc(Br)c(F)c([C@H](Cl)c2cc(Br)c(C)cc2Br)c1 2145599577 DUOWSFUABYYIQB-CQSZACIVSA-N 485.416 7.058 50 10 JKGE COc1ccc([C@@H](Br)c2cccc(Br)c2Br)cc1OC 2148749742 JBYQWUWMZPPEOF-CQSZACIVSA-N 464.979 5.713 50 10 JKGE O=C(N[C@@H](CBr)c1ccccc1)c1cccc(Br)c1Br 2148770649 PSIIKDVIQYAEDK-ZDUSSCGKSA-N 461.979 5.078 50 10 JKGE Cl[C@H](c1csc(Br)c1Br)c1ccc(Br)c2ccccc12 2150344567 NJPGRXSCPHBLCW-AWEZNQCLSA-N 495.461 7.517 50 10 JKGE Cc1cc([C@H](Br)c2cc(Br)c3c(c2)CCCO3)c(Br)s1 2157244923 HEAYREKKXPPKOT-CYBMUJFWSA-N 481.047 6.391 50 10 JKGE Brc1ccc(Br)c([C@@H](Br)[C@H]2CC3(CCCCC3)CO2)c1 2166285979 MHKXDMHPKXNBJP-HUUCEWRRSA-N 467.039 6.387 50 10 JKGE COc1cc(C)c(Br)cc1[C@@H](Br)c1nn(C)c(Cl)c1Br 2167051053 QTRBJMPRJKEZDB-SNVBAGLBSA-N 487.417 5.400 50 10 JKGE Cn1cc(CC(CBr)(CBr)c2ccc(Br)cc2)c(Cl)n1 2168231339 JNEJITREZRZUNQ-UHFFFAOYSA-N 485.445 5.106 50 10 JKGE Cc1ccc(S(=O)(=O)N(Cc2ccccc2)CC2CCCCC2)cc1CBr 2179784810 DYLTZTNTXWVJBB-UHFFFAOYSA-N 450.442 5.661 50 10 JKGE O=S(=O)(c1cc(CBr)c(Cl)cc1Cl)N1CCC(OCc2ccccc2)CC1 2179830993 QZIMFGKVSCQRRU-UHFFFAOYSA-N 493.250 5.258 50 10 JKGE Cc1cc(Cl)c(Br)cc1[C@@H](Br)c1cc2c(s1)CCSC2 2202354809 ZJSPNOKRFOEPFC-OAHLLOKOSA-N 452.664 6.746 50 10 JKGE Cc1c(Br)ccc([C@H](Br)C2CC3(CCCCC3)C2)c1Br 2203687007 VSBPMWGJMLRGKK-MRXNPFEDSA-N 465.067 7.317 50 10 JKGE O=C1c2ccccc2C(=O)N1C[C@H](Br)CCc1cc(C(F)(F)F)cc(C(F)(F)F)c1 2205794462 XMGKXNQEFLYJSQ-CQSZACIVSA-N 494.229 5.717 50 10 JKGE Cc1cc([C@H](Cl)c2cc3c(cc2Br)OCC3)ccc1I 2207103625 OLHKCIHAPOLFKP-INIZCTEOSA-N 463.540 5.625 50 10 JKGE Clc1cc([C@H](Cl)c2c(Br)cc(Cl)c(Cl)c2Cl)sc1Cl 2224303437 XDPAXEGAQLRKHU-VIFPVBQESA-N 459.834 8.106 50 10 JKGE COc1ccccc1[C@@H](Br)c1cc(Br)c(Br)cc1F 2225615512 IDVUTLUMJGAVNS-CQSZACIVSA-N 452.943 5.844 50 10 JKGE Fc1cc(Br)c(Br)cc1[C@H](Br)[C@@H]1CC2CCC1CC2 2225615589 JFHYDHBKJNLRCM-JYXZJPJXSA-N 455.003 6.613 50 10 JKGE Cc1cc(Br)c([C@H](Br)C2[C@@H]3CCCC[C@@H]23)c(C)c1Br 2227348008 LNODGVCFZVHAHI-UVWXRNBGSA-N 451.040 6.701 50 10 JKGE Cc1cc(Br)c([C@H](Br)C[C@H]2CC[C@H](C)O2)c(C)c1Br 2227352808 QXQHTKFSJNKNHV-UFGOTCBOSA-N 455.028 6.222 50 10 JKGE Cc1cc(Br)c([C@@H](Br)[C@H]2CC23CCCC3)c(C)c1Br 2227373469 ZYRPNZJYBUBZJM-ABAIWWIYSA-N 451.040 6.845 50 10 JKGE Fc1cc(F)c([C@@H](Cl)c2csc(Br)c2Br)c(F)c1Br 2227805663 TUXRSEOIEQFHGY-VIFPVBQESA-N 499.371 6.781 50 10 JKGE Cc1cc(Br)c([C@H](Br)c2c(F)cccc2Br)c(C)c1Cl 2232530028 OEFOKKUZYOBHPU-AWEZNQCLSA-N 485.416 7.105 50 10 JKGE COc1c(C(C)C)cc(Br)cc1[C@@H](Br)c1ccoc1Br 2233158512 BFZHOKQSKCUWFZ-ZDUSSCGKSA-N 466.995 6.421 50 10 JKGE FC1(F)[C@H]2CCC[C@H]1CC([C@@H](Br)c1cc(Br)c(Br)s1)C2 2233643170 UPAJFMMYSLGSIJ-HOTUBEGUSA-N 493.049 7.171 50 10 JKGE CO[C@H]1C[C@H]([C@H](Br)c2cc(Br)c(Br)cc2F)C[C@H]1OC 2233975962 MOSMDPZSEVTBGN-DRGUQFHNSA-N 474.990 5.227 50 10 JKGE Fc1cc(Br)cc(F)c1[C@@H](Br)Cc1ccc(Br)cc1Cl 2237453154 MASGCFIPHNTROI-JTQLQIEISA-N 489.379 6.822 50 10 JKGE Clc1c(Br)ccc(CBr)c1O[C@@H]1CCN(Cc2ccccc2)C1 2244769514 MAQWSWLXOHVQPF-OAHLLOKOSA-N 459.609 5.651 50 10 JKGE CCc1cc([C@@H](Cl)c2cc(Br)sc2Br)sc1Br 2248015805 PUBPZNCFPQGSMB-VIFPVBQESA-N 479.484 6.988 50 10 JKGE Cc1cc(Br)c([C@@H](Br)c2ncsc2Br)c(C)c1F 2253512977 OPIMRGGUVOWIKO-SECBINFHSA-N 457.988 5.908 50 10 JKGE CCc1cc([C@H](Br)c2cc(F)ccc2Br)sc1Br 2255989148 QLRSMMDFJOWPHK-GFCCVEGCSA-N 457.000 6.459 50 10 JKGE COc1c([C@H](Br)c2c(Br)sc(Br)c2Cl)csc1C 2259123748 YENRUXUDJRCYAI-ZETCQYMHSA-N 495.483 6.789 50 10 JKGE Fc1cc(Br)c(F)c(Br)c1[C@@H](Cl)c1csnc1Br 2260067477 KZVFSYFVJPOBCZ-QMMMGPOBSA-N 482.369 6.037 50 10 JKGE Cc1cc([C@@H](Br)c2cc3sc(Br)cc3s2)sc1Br 2263617703 IOBZGXWUXPCNHN-LLVKDONJSA-N 487.101 7.342 50 10 JKGE COc1cc(C)c(Br)c(C)c1[C@H](Br)c1coc(Br)c1 2269604624 OCHDLNRWENWBOL-CQSZACIVSA-N 452.968 5.914 50 10 JKGE Clc1cc([C@@H](Br)c2ccc(C3CCC3)s2)ccc1I 2271973640 VVFVNTDZADJQPI-OAHLLOKOSA-N 467.597 6.758 50 10 JKGE CC1(C)CC[C@H]([C@H](Br)c2c(F)cc(Br)c(F)c2Br)C1 2272856043 RDCOLDPBUPZCFR-CPCISQLKSA-N 460.982 6.752 50 10 JKGE Brc1cc(Br)cc(C[C@H](Br)[C@H]2C[C@H]2C2CCCC2)c1 2277952670 HZISKRWPWGCANH-JYJNAYRXSA-N 451.040 6.344 50 10 JKGE Cc1ccc(I)c([C@H](Cl)c2cc3sc(Br)cc3s2)c1 2278098904 IBTYLAVQFQHEJC-AWEZNQCLSA-N 483.621 6.967 50 10 JKGE Cc1cc(Cl)c([C@@H](Br)c2cc(F)c(Br)cc2Cl)cc1Cl 2282906806 HANPICAWXCRZNT-CQSZACIVSA-N 461.383 7.341 50 10 JKGE COc1cccc([C@@H](Br)c2cc(Br)c(Br)cc2F)c1Cl 2283567290 AIKSYPRSTJOROS-CYBMUJFWSA-N 487.388 6.497 50 10 JKGE COc1ccc([C@H](Cl)c2ccc(OC)c(I)c2)cc1Br 2285004714 DORRRQUTEQKDSK-HNNXBMFYSA-N 467.528 5.399 50 10 JKGE C[C@@H]1CCCC[C@@]12[C@@H](Oc1cc(I)ccc1Cl)C[C@H]2Br 2288259836 ZJEOZYUVPYACHT-HGGPSHQYSA-N 469.588 6.056 50 10 JKGE Cc1ccc(Cl)cc1NC(=O)C(C#N)=Cc1cc(C)n(-c2sc3c(c2C#N)CCCC3)c1C 2294171812 AJEAHSWXDJJSOT-UHFFFAOYSA-N 475.017 6.414 50 10 JKGE CC(C=CC=C(C)C=CC1=C(C)[C@H](OC(=O)C=CC[C@H](C)CCCO)CCC1(C)C)=CC=O 2294818712 NZDKRQXMNZNHNV-WXVAWEFUSA-N 454.651 6.594 50 10 JKGE Cc1ccc([C@@H](Cl)Cc2cc(Br)cc(Br)c2)c(C)c1Br 2295264360 FBPUHLMXLKMZJG-HNNXBMFYSA-N 481.453 7.114 50 10 JKGE Brc1cc(Br)cc(C[C@H](Br)c2csc3ccccc23)c1 2295274001 FCEFJABAQDHEQZ-HNNXBMFYSA-N 475.043 7.105 50 10 JKGE Fc1cc(Cl)cc([C@@H](Br)c2cc3sc(Br)cc3s2)c1F 2295508094 AOEZEKKZIYMAMA-GFCCVEGCSA-N 458.574 7.141 50 10 JKGE COc1ccc(C=C(C#N)C(=O)NCc2ccc(F)cc2)cc1OCc1cccc(C(F)(F)F)c1 2295672656 KDENNLQBIURLKW-UHFFFAOYSA-N 484.449 5.655 50 10 JKGE N#CC(=CNc1cc(C(F)(F)F)ccc1Cl)c1nc(-c2cccc(Br)c2)cs1 2295887870 SQCVPPDOGOIHDV-UHFFFAOYSA-N 484.728 7.221 50 10 JKGE CCc1ccccc1NC=C(C#N)c1nc(-c2cc3cc(Br)ccc3oc2=O)cs1 2295894369 VYKWHRORPTWKSD-UHFFFAOYSA-N 478.371 6.218 50 10 JKGE CN(C(=O)c1cc(Br)c(Br)s1)[C@@H](CBr)c1ccccc1 2296519414 GAQAXPUACQNECY-NSHDSACASA-N 482.035 5.481 50 10 JKGE Cc1ccc(NC(=O)C(C#N)=C2S[C@@H](Cc3cccc(Cl)c3)C(=O)N2c2ccccc2C)cc1 2296834817 GVCLQOFOPVPMIB-DEOSSOPVSA-N 488.012 6.022 50 10 JKGE CCOc1ccc(NC(SCc2ccc(C)cc2C)=C(C#N)C(=O)NCc2ccco2)cc1 2297414520 APNUGUDHYZDDPU-UHFFFAOYSA-N 461.587 5.692 50 10 JKGE C[C@]1([C@@H](Br)c2ccc(OCc3ccccc3)cc2Br)COCCO1 2299491270 DLQHGVNYKWHXSU-RBUKOAKNSA-N 456.174 5.270 50 10 JKGE FC1(F)CCC[C@@H]1[C@@H](Br)c1cc(Br)ccc1OCc1ccccc1 2299535511 PQFQRYDPABHCHU-AEFFLSMTSA-N 460.156 6.900 50 10 JKGE N#CC(=Cc1ccc(OCc2cccc3ccccc23)cc1)C(=O)N1CCN(c2ccccc2)CC1 2313545862 KYBYYNOQHGDVRB-UHFFFAOYSA-N 473.576 5.675 50 10 JKGE N#CC(=Cc1cn(-c2ccccc2)nc1C12CC3CC(CC(C3)C1)C2)C(=O)NC1CCCCC1 2314475968 GOVCYKCTKALNHM-UHFFFAOYSA-N 454.618 5.696 50 10 JKGE COc1cc(C=C(C#N)c2ccc(Cl)cc2)ccc1OC(=O)c1ccc(Br)cc1 2314720295 LULJBAVHFUNANQ-UHFFFAOYSA-N 468.734 6.394 50 10 JKGE CCCCOc1ccc(C=C(C#N)C(=O)Nc2nc(-c3ccc(OC(C)C)cc3)cs2)cc1 2314754302 OZFNSWIXPNSWEW-UHFFFAOYSA-N 461.587 6.322 50 10 JKGE Fc1cc(C[C@@H](Br)c2sc(Cl)cc2I)ccc1Cl 2316601603 VLARQRJPNUIWGR-SSDOTTSWSA-N 479.967 6.477 50 10 JKGE CCOc1cc(C=NNC(=O)Nc2ccccc2)ccc1OCc1c(Cl)cccc1Cl 2323063473 ONNFFOLEYBCAFK-UHFFFAOYSA-N 458.345 6.127 50 10 JKGE N#CC(=CNc1cc(C(F)(F)F)cc(C(F)(F)F)c1)C(=O)Nc1ccc(Br)cc1 2324088394 JOOPXZADIGLMCQ-UHFFFAOYSA-N 478.190 5.945 50 10 JKGE Cc1cc(I)ccc1NC=C(C#N)C(=O)Nc1cccc(Cl)c1Cl 2324375733 DXABRVCVOHNXOP-UHFFFAOYSA-N 472.113 5.365 50 10 JKGE CCCCCCCCCOc1ccc(C=C(C#N)S(=O)(=O)c2ccccc2)cc1Br 2331030381 JWGHXNHJJBFYIY-UHFFFAOYSA-N 490.463 6.917 50 10 JKGE CCCOc1ccc(-c2csc(C(C#N)=C(O)CCc3ccc(Cl)cc3)n2)cc1OCCC 2331293740 XAQRBGBMHGSFNE-UHFFFAOYSA-N 483.033 7.467 50 10 JKGE COc1ccc(OCCCC(O)=C(C#N)c2nc(-c3cc(C(C)(C)C)ccc3OC)cs2)cc1 2331350829 XMXICGFTJPWXSC-UHFFFAOYSA-N 478.614 6.777 50 10 JKGE Cc1cc(C)c(C)c(-c2csc(C(C#N)=C(O)COc3ccc(Cl)cc3Cl)n2)c1C 2331366221 BCJGSLNZVIHTQV-UHFFFAOYSA-N 459.398 7.222 50 10 JKGE CCOc1ccc(OCC)c(-c2csc(C(C#N)=C(O)CCc3ccc(Cl)cc3)n2)c1 2331376648 CCVFTOFZYVSHMG-UHFFFAOYSA-N 454.979 6.686 50 10 JKGE COc1ccc(-c2csc(C(C#N)=C(O)CCCOc3ccc(C(C)(C)C)cc3)n2)c(OC)c1 2331385524 LLELNAWTJHWBJS-UHFFFAOYSA-N 478.614 6.777 50 10 JKGE COc1ccc(-c2csc(C(C#N)=C(O)c3ccccc3Br)n2)c2ccccc12 2331405086 OUHCEESQGGXAOV-UHFFFAOYSA-N 463.356 6.684 50 10 JKGE COc1c(Cl)ccc(Cl)c1C(O)=C(C#N)c1nc(-c2cc(Cl)ccc2Cl)cs1 2331405310 FLVNUDPAEULTJW-UHFFFAOYSA-N 472.180 7.382 50 10 JKGE COc1cc(C=C(C#N)c2nc(-c3ccccc3Cl)cs2)ccc1OCc1ccc(Cl)cc1 2331430562 KEYNJISOTXEIDE-UHFFFAOYSA-N 493.415 7.769 50 10 JKGE CCCOc1ccc(C=C(C#N)c2nc(-c3cc(Cl)cc(C)c3OC)cs2)cc1OCC 2331474833 NFVMTLKCFQPTPV-UHFFFAOYSA-N 469.006 7.032 50 10 JKGE C[C@@H]1O[C@H](C)C[C@@H]1[C@H](Br)c1c(Cl)cc(Br)c(F)c1Br 2337083314 XUSFTFZHNCTSEB-WDOVLDDZSA-N 479.409 6.254 50 10 JKGE COc1c(Br)cc(C)c([C@@H](Br)[C@@]2(C)CCOC2)c1Br 2339690024 GSUIUMUIRFWDOO-KGLIPLIRSA-N 457.000 5.391 50 10 JKGE BrC[C@@H](OCc1cccc(I)c1)c1ccccc1Br 2341622418 FCRQUZHLVFYYLK-OAHLLOKOSA-N 495.980 5.707 50 10 JKGE CC1=C(C)C[C@](CBr)(Cc2ccc(I)c(Br)c2)CC1 2349844857 JRSHERFAPWBCOJ-INIZCTEOSA-N 498.040 6.498 50 10 JKGE Clc1ccc(I)cc1CN1CCC[C@H](CCBr)CC1 2352412471 UMYYKLXCYMTMJE-GFCCVEGCSA-N 456.593 5.332 50 10 JKGE C[C@@]1(NC(=O)c2csc(Br)c2Br)C[C@H]2CC[C@H]1C[C@H]2Br 2380909769 LIKCGGBKONSCEH-ZCZIFAQMSA-N 486.067 5.345 50 10 JKGE O=C(c1ccc(Cl)s1)N(/N=C/c1ccco1)c1nc2ccc(Br)cc2s1 12488123 CYPULGADFUROJD-AWQFTUOYSA-N 466.769 6.048 50 10 JKGE CCN(CC)c1ccc(/C=N/NC(=O)CCc2ccccc2)c(OCc2c(F)cccc2Cl)c1 20608647 FTXZTZSAXZFSQP-UXHLAJHPSA-N 481.999 5.987 50 10 JKGE N#C/C(=C\c1ccc(-c2c(Cl)cccc2Cl)o1)c1nc(O)c2c3c(sc2n1)CCCC3 28357170 PQMMEFHVTJQWMQ-ZRDIBKRKSA-N 468.365 6.907 50 10 JKGE COc1ccc(/C(C#N)=C\c2ccc(OCc3ccc(Cl)cc3Cl)c(OC)c2)cc1OC 33421004 ONJMXKRYGRRPAR-GRSHGNNSSA-N 470.352 6.662 50 10 JKGE N#C/C(=C/c1cn(Cc2ccc(F)cc2)c2ccccc12)C(=O)Nc1ccc(N2CCOCC2)cc1 35073351 NMCZJAVORPMNIZ-XLNRJJMWSA-N 480.543 5.211 50 10 JKGE CCCCOc1ccccc1[C@H]1C(C#N)=C(N)Oc2cc(OC(=O)COc3c(C)cccc3C)ccc21 38682869 LPTAQNRGHXYAEE-MUUNZHRXSA-N 498.579 5.685 50 10 JKGE N#C/C(=C\c1ccccc1OCC(=O)Nc1nccs1)c1nc(-c2cccs2)cs1 39842890 WUGHSZGAWRFKPL-XNTDXEJSSA-N 450.570 5.410 50 10 JKGE Cc1cccc(C(=O)N/N=C2\CCCc3oc(C(=O)NN(c4ccccc4)c4ccccc4)c(C)c32)c1 40811373 CMVPHRMZLCVKPY-QCKNELIISA-N 492.579 5.850 50 10 JKGE Cc1c(C(=O)NN(c2ccccc2)c2ccccc2)oc2c1/C(=N/NC(=O)c1ccco1)CCC2 40814458 JYOGJYNZCWBMMD-SGWCAAJKSA-N 468.513 5.135 50 10 JKGE O=C(N/N=C/c1ccccc1OCc1ccc(Br)cc1)c1ccc(Cl)cc1Cl 59417842 JQPDNVJHKLNVQT-BRJLIKDPSA-N 478.173 6.099 50 10 JKGE Cc1ccc(C(=O)Oc2ccccc2/C=N\NC(=O)c2ccc(NC(=O)c3ccccc3)cc2)cc1 59500504 HEAOEIXYJPEQLV-FSGOGVSDSA-N 477.520 5.230 50 10 JKGE CC[C@@H](C)N1C(=O)C(C#N)=C(C)/C(=C\c2cn(-c3ccccc3)nc2-c2ccc(C)c(F)c2)C1=O 101334276 MBNDRSNIVSCAGA-ZMPUUUETSA-N 468.532 5.378 50 10 JKGE Cc1ccc(NC(=O)/C(C#N)=C2/S[C@H](Cc3cccc(Cl)c3)C(=O)N2c2ccc(C)cc2)cc1 102974816 SEZIVLBQZWMZGV-GUNDDFSMSA-N 488.012 6.022 50 10 JKGE N#C/C(=C(\Nc1ccccc1F)SCc1c(F)cccc1Cl)S(=O)(=O)c1ccccc1 104688811 XCZIRDOYABXXLW-DQRAZIAOSA-N 476.957 6.130 50 10 JKGE COc1cc(Br)c([C@@H](Br)c2ccc(Cl)cc2Cl)cc1OC 109860079 VEVKBPWLLAJTPR-HNNXBMFYSA-N 454.973 6.257 50 10 JKGE CCOc1ccc([C@H](Br)c2cccc(F)c2Br)c(Br)c1 156130260 UHZCAKMSIBJKME-AWEZNQCLSA-N 466.970 6.234 50 10 JKGE CC(C)(C)c1ccc([C@@H](Br)c2cc(Br)ccc2Br)s1 161118809 CJYKSSJTAUYTAP-AWEZNQCLSA-N 467.064 7.055 50 10 JKGE CC1(C)CC[C@@H](CC(CBr)(CBr)c2cccc(Br)c2)O1 161378442 NLSOKUYKEUIART-AWEZNQCLSA-N 469.055 5.824 50 10 JKGE COc1cccc(N(C(=O)CCl)[C@H](C(=O)N[C@@H]2CCCC[C@@H]2C)c2ccc(Cl)cc2)c1 169691472 VKXKQEAKWJDNRO-YTJPUZGESA-N 463.405 5.357 50 10 JKGE C[C@H](NC(=O)N[C@H]1CC(C)(C)C[C@@](C)(CN=C=O)C1)C1(c2ccc(Br)cc2)CC1 170290044 RVKLWLHLMJKZSF-BPXKWBHBSA-N 462.432 5.089 50 10 JKGE COc1cc(/C=C(/C#N)C(=O)NCc2ccccc2)ccc1OC(=O)COc1cc(C)ccc1C(C)C 206398268 PQRMHPYXKHBPCO-IWIPYMOSSA-N 498.579 5.335 50 10 JKGE Cc1cc(F)cc(C)c1[C@@H](Cl)c1cc(Br)ccc1I 235766350 BETGENNKMMKWQT-HNNXBMFYSA-N 453.520 6.138 50 10 JKGE Cc1ccc(C)c(C[C@H](Br)c2cc(Br)ccc2I)c1 235848541 UAXIAKOIZCVLRE-HNNXBMFYSA-N 494.008 6.349 50 10 JKGE Clc1ccc(Br)c([C@H](Cl)c2cc(Br)ccc2Br)c1 236031691 SWJRMRRRKUBSRK-CYBMUJFWSA-N 473.817 6.956 50 10 JKGE CC(C)CCC[C@H](C)[C@@H]1CC[C@H]2[C@H]1[C@H](C)C[C@@H]1[C@H]2CC=C2C[C@H](SC(=O)Cl)CC[C@@]21C 253534602 RVIFINDCMXZRRC-AHUBDQAJSA-N 465.187 9.344 50 10 JKGE CSc1ccc(C=NNC(=O)CSc2nnc(-c3ccccc3)n2-c2ccc(C)cc2)cc1 254404665 WNMQNOMVCWYZQF-UHFFFAOYSA-N 473.627 5.207 50 10 JKGE CC(=NNC(=O)c1ccc(CSc2nc(C)cc(C)n2)cc1)c1cccc(C(F)(F)F)c1 254797859 IPXOXZYYQSGJSC-UHFFFAOYSA-N 458.509 5.559 50 10 JKGE CCC(=NNC(=O)c1ccc(COc2ccc(C(C)(C)C)cc2)cc1)c1ccc(OC(F)F)cc1 254835353 HNHYGMFNUUHXDR-UHFFFAOYSA-N 480.555 6.709 50 10 JKGE O=C(c1ccc(Br)cc1C(F)(F)F)N(CCBr)Cc1ccccc1 303989169 PQOWQOUSFMUBTD-UHFFFAOYSA-N 465.107 5.505 50 10 JKGE Cc1cc(Br)c([C@@H](Br)c2ccc(F)c(Br)c2)cc1Cl 311818315 HSOAUORUAGIYAJ-AWEZNQCLSA-N 471.389 6.797 50 10 JKGE FC(F)(F)c1csc([C@H](Cl)c2cc(Cl)ccc2Br)c1Br 312405654 QWJXIJNFCUPGLB-SNVBAGLBSA-N 468.947 7.274 50 10 JKGE C[C@@H]1CN(Cc2ccccc2)C[C@@H]1n1c(CCCl)nc2cc(I)c(F)cc21 389874386 SEHRQXSLPZAYAF-VLIAUNLRSA-N 497.783 5.254 50 10 JKGE Brc1cc2c(cc1[C@H](Br)c1nscc1Br)OCCCO2 404864732 AUIIYBRLENFXOU-LBPRGKRZSA-N 484.007 5.314 50 10 JKGE C[C@@H]1Cc2cc([C@H](Cl)c3ccc(I)c(Br)c3)ccc2O1 721613310 LAEBCIPTUSZRMX-ABKXIKBNSA-N 463.540 5.705 50 10 JKGE COc1ccc([C@@H](Cl)c2cccc(F)c2I)cc1Br 721691045 JLFBELZGSWUVEY-CYBMUJFWSA-N 455.492 5.530 50 10 JKGE O=C(N[C@H](CCBr)C1CCCC1)c1cc(Br)cc(Br)c1 725037208 KRDZDKFUFOWOCX-CQSZACIVSA-N 468.027 5.285 50 10 JKGE FC(F)(F)Oc1cccc([C@H]2CN(Cc3ccccc3)C[C@@H]2CI)c1 725408107 RAPYRKURLFWEHG-FUHWJXTLSA-N 461.265 5.236 50 10 JKGE CCOc1cc(C=NNC(=O)CC[C@H](O)c2ccccc2)cc(Cl)c1OCc1ccc(F)cc1 1083900008 QOEAQTZWJWFNDG-QHCPKHFHSA-N 484.955 5.421 50 10 JKGE Cc1ccc(C)c(NC(=O)/C(C#N)=C\c2ccccc2OCc2ccc(Cl)c(Cl)c2)c1 1084050484 QSMDOKLDYZWLFG-MOSHPQCFSA-N 451.353 6.735 50 10 JKGE O=C(CSc1nc2ccccc2s1)NN=Cc1ccc(OCc2ccccc2Cl)cc1 1084427149 MPIXAKFTVJBDHC-UHFFFAOYSA-N 468.003 5.771 50 10 JKGE COc1ccc(/C=C(/C#N)C(=O)Nc2ccc(C)cc2)cc1OCc1ccc(Br)cc1 1084603530 UZVWYWBTGKPFCI-MOSHPQCFSA-N 477.358 5.891 50 10 JKGE O=C(NN=C1C(=O)N(Cc2c(Cl)cccc2Cl)c2ccccc21)c1cc(Cl)ccc1O 1084644317 BJGFJEVCJQNRFH-UHFFFAOYSA-N 474.731 5.033 50 10 JKGE CCCc1nn(Cc2ccc(Cl)c(Cl)c2)c2c1[C@@H](c1cccc3ccccc13)C(C#N)=C(N)O2 1865682344 MNWRENSLAZGGCS-DEOSSOPVSA-N 489.406 6.562 50 10 JKGE N#CC1=C(N)Oc2c(c(-c3ccccc3)nn2Cc2ccc(Cl)c(Cl)c2)[C@H]1c1ccccc1F 1865682937 BIEPLILDZGVUEA-QFIPXVFZSA-N 491.353 6.262 50 10 JKGE CCCOc1ccc([C@@H]2C(C#N)=C(N)Oc3c2c(C)nn3-c2ccccc2Cl)cc1OCC 1865688368 QLQQMSWZYKOOFG-HSZRJFAPSA-N 464.953 5.240 50 10 JKGE CCc1nn(CC(C)C)c2c1[C@@H](c1ccc(OCc3ccc(Cl)cc3)cc1)C(C#N)=C(N)O2 1865695185 MCCDWTDIIFBCQG-QHCPKHFHSA-N 462.981 5.552 50 10 JKGE CCN(CC)c1ccc([C@@H]2C(C#N)=C(N)Oc3c2c(-c2ccccc2)nn3-c2ccc(OC)cc2)cc1 1865701786 FGHGRGHRDDGIIK-AREMUKBSSA-N 491.595 5.612 50 10 JKGE CCCOc1ccccc1[C@@H]1C(C#N)=C(N)Oc2c1c(CCC)nn2Cc1cc(C)ccc1C 1865703160 OLPLXETXIFPECB-RUZDIDTESA-N 456.590 5.508 50 10 JKGE COc1ccc([C@@H]2C(C#N)=C(N)Oc3c2c(-c2ccccc2)nn3-c2ccc(Cl)cc2)cc1OC 1865706642 BORHYNSRDGGGTA-HSZRJFAPSA-N 484.943 5.428 50 10 JKGE CCC[C@@H](NC(=O)CCc1csc(-c2ccccc2)n1)C(=O)Nc1ccc(SC#N)cc1 1867046957 DIMQQDSDDSZQKC-OAQYLSRUSA-N 464.616 5.239 50 10 JKGE CC(C)(C)c1nc(Nc2ccc(SC#N)cc2)cc(N2CCC[C@H]2c2ccc(C(F)(F)F)cc2)n1 1868342184 NHHHZFTYIPOHTM-NRFANRHFSA-N 497.590 7.451 50 10 JKGE CN(CCc1cnc[nH]1)c1cc(Nc2ccc(SC#N)cc2)nc(-c2ccc(Cl)cc2)n1 1868434209 XYHYNKWLCANAHK-UHFFFAOYSA-N 461.982 5.516 50 10 JKGE COc1ccccc1-c1csc(/C(C#N)=C/c2ccccc2OCc2ccccc2Cl)n1 1872784273 HWFLVFSBAAVEPT-XSFVSMFZSA-N 458.970 7.115 50 10 JKGE CCCOc1ccc(-c2csc(/C(C#N)=C(\O)c3ccc(OC)c(OC)c3)n2)cc1OCCC 1872818274 UYKDFWNKJXOOKG-PLRJNAJWSA-N 480.586 6.355 50 10 JKGE C[C@@H]1C[C@H]1CC[C@@H](Br)c1c(Br)sc(Br)c1Br 1897160888 AIVGZJWIQQEYCT-FSDSQADBSA-N 495.900 6.908 50 10 JKGE CC[C@@H](Br)CN(Cc1ccccc1)C(=O)c1ccc(Br)c(Cl)c1 1915081419 NTZWQGCDOSURKC-OAHLLOKOSA-N 459.609 5.918 50 10 JKGE Cc1ccc(C(=O)N(Cc2ccccc2)[C@H](CBr)C(C)C)cc1Br 1915298416 SQUUAAUGTQRJFM-LJQANCHMSA-N 453.218 5.819 50 10 JKGE CC[C@H](CC(F)(F)F)[C@H](Br)c1sc(Br)c(C)c1Br 1922894764 OCJXCRNJPNTWKR-SVRRBLITSA-N 472.990 6.996 50 10 JKGE COc1cccc([C@@H](Br)c2sc(Br)c(C)c2Br)c1 1922945731 JORABESFISCCKP-LLVKDONJSA-N 455.009 6.074 50 10 JKGE CS(=O)(=O)c1ccc([C@@H](Cl)c2c(Br)sc(Br)c2Cl)cc1 1923049680 NQFDYMHSSIZEJD-SECBINFHSA-N 479.042 5.658 50 10 JKGE Cc1cc(Br)c(F)c([C@@H](Br)[C@H](C)c2ccncc2Br)c1 1924054985 CTKXYBAOZQDBRT-OTYXRUKQSA-N 465.986 6.294 50 10 JKGE CCCCCC[C@H](Br)c1c(Br)sc(Br)c1Br 1924580687 UMCRFOBXSOGJJF-ZETCQYMHSA-N 497.916 7.442 50 10 JKGE C[C@@H](N(Cc1ccccc1)c1c(CBr)ccc(Br)c1Cl)C(C)(C)C 1948742268 YKZOMZGFPWZJHG-CQSZACIVSA-N 473.680 7.439 50 10 JKGE C[C@@H](CCBr)N(Cc1ccccc1)C(=O)c1cc(I)ccc1F 1980671131 LTRKYDXYOKOYOK-ZDUSSCGKSA-N 490.154 5.246 50 10 JKGE COc1sc([C@H](Br)c2cc(F)cc(Br)c2)cc1Br 2034629711 POWQIMLGRCVOKG-LLVKDONJSA-N 458.972 5.905 50 10 JKGE COc1ccc([C@H](Br)c2cc(C)sc2Br)cc1Br 2039502649 JTRAEQROYYOSHZ-LBPRGKRZSA-N 455.009 6.074 50 10 JKGE CC1(C)CCC[C@@H]([C@H](Cl)c2c(Br)sc(Br)c2Br)C1 2049572638 BGKDDPPMQWGSLT-XCBNKYQSSA-N 479.503 7.532 50 10 JKGE FC1(F)CCC([C@H](Br)c2c(Br)sc(Br)c2Cl)CC1 2057459460 AUUKWUUZNUNNJN-ZETCQYMHSA-N 487.429 7.188 50 10 JKGE CCc1cccc(Cn2nc(CBr)c(I)c2C(F)(F)F)c1 2079242755 DHSBSQSXKRGATF-UHFFFAOYSA-N 473.074 5.012 50 10 JKGE Cc1oc(Br)cc1[C@@H](Br)c1cc(Br)c2c(c1)CCO2 2090463588 IYAZRGFLQLPREP-ZDUSSCGKSA-N 450.952 5.532 50 10 JKGE Fc1ccccc1[C@@H](CBr)Cc1ccc(Br)cc1Br 2092259864 BIRBMYOTNJYSBH-LLVKDONJSA-N 450.971 6.072 50 10 JKGE CCOc1cc(Cl)c([C@H](Br)c2cscc2OCc2ccccc2)cc1Cl 2100093288 RUOUCCODBYKZAK-FQEVSTJZSA-N 472.231 7.517 50 10 JKGE C[C@@H](Cl)c1nc2cc(Cl)c(Br)cc2n1-c1cnn(Cc2ccccc2)c1 2112697911 XRDLCKCUFCSIPW-GFCCVEGCSA-N 450.167 5.986 50 10 JKGE CC[C@@H]1CC[C@H](COc2c(Br)cc(Br)cc2CBr)O1 2136743608 WXIYCLXSLJTHBI-VXGBXAGGSA-N 457.000 5.443 50 10 JKGE Clc1cc(CC[C@H](Cl)c2ccccc2Br)ccc1I 2142941898 ZEDCRUHBOSBIHE-ZDUSSCGKSA-N 469.975 6.620 50 10 JKGE COc1cc([C@@H](Br)c2cc(Cl)c(Cl)s2)c(OC)cc1Br 2156050435 MUTKJYDWKWYDML-GFCCVEGCSA-N 461.002 6.319 50 10 JKGE CCOc1ccc([C@@H](Cl)c2cc(I)ccc2F)c(Br)c1 2169667807 JJSDHVJJKMHQPR-OAHLLOKOSA-N 469.519 5.920 50 10 JKGE Cc1cc(Br)ccc1[C@H](Br)c1c(Br)cc(F)c(Cl)c1F 2201620191 YTBCOAWUZGQDSP-LBPRGKRZSA-N 489.379 6.936 50 10 JKGE COc1cc(Cl)c([C@@H](Cl)c2cccc(C)c2I)cc1Br 2202347856 WYDPKMQUKNXQAY-AWEZNQCLSA-N 485.974 6.352 50 10 JKGE CCc1cc(Br)c([C@@H](Br)c2cc(Br)c(C)s2)s1 2213745833 BMOMVNUVDMLJRE-NSHDSACASA-N 459.066 6.690 50 10 JKGE Fc1cc(Br)c(Br)cc1[C@@H](Br)[C@H]1C[C@@H]2CCC[C@@H]2C1 2225618637 YZQGMCNNTPLKDY-OFYUCFFLSA-N 455.003 6.613 50 10 JKGE CCOc1ccc(Br)cc1[C@@H](Br)c1cc(Br)c(C)s1 2226081262 AKJVATCCSWFRPZ-CQSZACIVSA-N 469.036 6.465 50 10 JKGE COc1c(C)cc(Br)cc1[C@@H](Br)c1scc(Br)c1C 2226127592 XLABJEOYTUXGAE-GFCCVEGCSA-N 469.036 6.383 50 10 JKGE Cc1ccc([C@H](Br)c2ccc(Br)cc2Br)c(F)c1F 2231126090 BRGWJGSVUKQBJN-GFCCVEGCSA-N 454.934 6.283 50 10 JKGE Cc1ccc(I)c([C@@H](Br)Cc2ccc(Cl)c(Cl)c2)c1 2232184662 VNHZNDIBIXSNKQ-LBPRGKRZSA-N 469.975 6.585 50 10 JKGE Fc1c(Cl)cccc1[C@H](Br)c1c(Br)cc(Cl)c(Cl)c1Cl 2232512297 NCCIODUZMAAVLW-JTQLQIEISA-N 481.801 7.686 50 10 JKGE Clc1cc(Br)c([C@H](Br)[C@@H]2C[C@]23CCCOC3)c(Cl)c1Cl 2232517122 PMRCOOXUSJATGX-OXSLBIJZSA-N 463.424 6.662 50 10 JKGE Cc1sc([C@H](Br)c2c(F)cc(F)c(Br)c2F)c(Br)c1C 2237633790 PVODXGYVLADSQB-LLVKDONJSA-N 492.980 6.792 50 10 JKGE Cc1sc([C@H](Cl)Cc2cc(Br)cc(Br)c2)cc1Br 2263445930 HHOUVGOTRXBFSI-GFCCVEGCSA-N 473.455 6.867 50 10 JKGE Cc1csc([C@@H](Br)c2c(F)cc(Br)c(F)c2Br)c1C 2272721880 MXTUZUWDPNFEBP-NSHDSACASA-N 474.990 6.652 50 10 JKGE Fc1cc(Br)c(F)c(Br)c1[C@H](Br)[C@H]1C[C@@H]1C1CCC1 2272734402 MIHLMARQHKFHQB-RGNHYFCHSA-N 458.966 6.362 50 10 JKGE Cc1sc(C)c([C@H](Br)Cc2cc(Br)cc(Br)c2)c1C 2277891309 HRPJCKLUPCTFNI-CQSZACIVSA-N 467.064 6.877 50 10 JKGE CCC[C@@H](CC(C)C)[C@@H](Br)Cc1cc(Br)cc(Br)c1 2277965854 NZCPNKZWJJWRBL-BBRMVZONSA-N 455.072 6.980 50 10 JKGE COc1c(Br)cc(Cl)cc1[C@@H](Cl)c1cc(Br)c(Cl)s1 2277996813 YBHVQRVDHZFONA-SNVBAGLBSA-N 465.421 6.917 50 10 JKGE Cc1ccc(Cl)cc1NC(=O)C(C#N)=Cc1cc(C)n(-c2ccccc2Br)c1C 2294172069 ZSFLLYKHZSPZQS-UHFFFAOYSA-N 468.782 6.364 50 10 JKGE COc1ccc(C=C(C#N)C(=O)Nc2cccc(C(=O)O)c2)cc1OC(=O)c1cccc2ccccc12 2295459633 HYWYYFFJOZDMAQ-UHFFFAOYSA-N 492.487 5.311 50 10 JKGE Brc1cc(OCc2ccccc2)ccc1[C@@H](Br)[C@@H]1CCC[C@@H]2C[C@@H]21 2299489043 LVDUIPLBSBVHBC-DOSUHQCWSA-N 450.214 6.900 50 10 JKGE Fc1c(Br)cc(Cl)c([C@H](Cl)C2(Br)CCC2)c1Br 2300170564 NWWHRWMYIBOHBO-JTQLQIEISA-N 469.801 6.602 50 10 JKGE CCN(C[C@](C)(CI)O[C@@H]1CCCC[C@H]2C[C@H]21)C(=O)OC(C)(C)C 2302674135 YTOMMIJJTWSQLD-MKSNKDDYSA-N 451.389 5.032 50 10 JKGE Cl[C@@H](C[C@@H]1CCC[C@@H]2C[C@H]12)c1c(Br)sc(Br)c1Br 2309957725 MANJNMNHAPHPQW-XGEHTFHBSA-N 477.487 7.142 50 10 JKGE Cc1ccc(Cn2cc(C=C(C#N)C(=O)N3CCN(c4ccccc4)CC3)c3ccccc32)cc1 2313568388 VKZDVXDLVOWTQB-UHFFFAOYSA-N 460.581 5.254 50 10 JKGE Fc1cc(Cl)c(Br)c(Cl)c1[C@@H](Cl)c1cc(Br)sn1 2313751410 MSPGULVRFYFSEW-VIFPVBQESA-N 454.373 6.442 50 10 JKGE FC1(F)[C@@H]2COC[C@@]21[C@H](Br)c1ccc(OCc2ccccc2)cc1Br 2314439705 JNHFIKPLDMMNLA-KURKYZTESA-N 474.139 5.746 50 10 JKGE Brc1ccc(OCc2ccccc2)c([C@@H](Br)C2CC(CC3CC3)C2)c1 2314440609 QWUMBQZDRJBTBI-IRZJEQJZSA-N 464.241 7.290 50 10 JKGE COC1([C@H](Br)c2cc(Br)ccc2OCc2ccccc2)CC(CF)C1 2314447313 XVYBDZIPRWEYAY-KHPNHKCMSA-N 472.192 6.229 50 10 JKGE N#CC(=Cc1ccc(-c2ccc(Cl)c(Cl)c2)o1)c1nc(-c2ccc([N+](=O)[O-])cc2)cs1 2314571253 CJTCHXYMATVNHT-UHFFFAOYSA-N 468.321 7.349 50 10 JKGE CCOc1cc(C=C2C(=O)N(Cc3ccccc3)C(=O)C(C#N)=C2C)ccc1OCc1ccc(C)cc1 2314618513 OTCDPXCRMPOXFO-UHFFFAOYSA-N 492.575 5.765 50 10 JKGE CCCCc1ccc(NC(=O)C(C#N)=Cc2ccc(OCC)c(OC)c2)c(Br)c1 2314950967 BEFDAKUXWCXSCH-UHFFFAOYSA-N 457.368 5.745 50 10 JKGE BrC[C@H](COCc1cc(I)ccc1Br)C1CCC1 2318983537 XYCCTTMAQAGRPA-GFCCVEGCSA-N 488.001 5.382 50 10 JKGE CCCN(CC(C)(C)CI)C1C[C@@H]2CC[C@H](C1)N2C(=O)OC(C)(C)C 2326664898 HYMMZDLTTUXODA-SJPCQFCGSA-N 464.432 5.090 50 10 JKGE COC(=O)c1ccc(C(C#N)=Cc2ccc(OCc3ccc(Cl)c(Cl)c3)c(OC)c2)o1 2331048499 PNFDAWHFYRVXED-UHFFFAOYSA-N 458.297 6.025 50 10 JKGE N#CC(=C(O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1)c1nc(-c2ccc(-c3ccccc3)cc2)cs1 2331232823 ZONWSPKOPJLNIA-UHFFFAOYSA-N 470.466 6.243 50 10 JKGE CCCOc1ccc(-c2csc(C(C#N)=C(O)c3ccc4cc[nH]c4c3)n2)cc1OCCC 2331293560 ZCZDWNZXSJUGFC-UHFFFAOYSA-N 459.571 6.819 50 10 JKGE N#CC(=C(O)c1ccc2c(c1)C(=O)N(Cc1ccccc1)C2=O)c1nc(-c2cccs2)cs1 2331326820 SZTVHBFLKZQFRQ-UHFFFAOYSA-N 469.547 5.618 50 10 JKGE CCCCCCOc1ccc(C(O)=C(C#N)c2nc(-c3ccc(OC)cc3OC)cs2)cc1 2331385702 DUUYCGUNXRKVPA-UHFFFAOYSA-N 464.587 6.736 50 10 JKGE N#CC(=C(O)CCCOc1ccc2ccccc2c1)c1nc(-c2cc(Cl)ccc2Cl)cs1 2331404505 NBVGGTITGFNCLD-UHFFFAOYSA-N 481.404 7.922 50 10 JKGE N#CC(=Cc1ccc(OCc2ccccc2Cl)cc1)c1nc(-c2cccc(Cl)c2)cs1 2331440118 DPQJBMQZXPQCKU-UHFFFAOYSA-N 463.389 7.760 50 10 JKGE CCCOc1ccc(-c2csc(C(C#N)=Cc3ccc(OCCc4ccccc4)c(OC)c3)n2)cc1 2331445139 KYEVERVIIBNZFH-UHFFFAOYSA-N 496.632 7.293 50 10 JKGE COc1ccc(-c2csc(C(C#N)=Cc3cc(Br)ccc3F)n2)c2ccccc12 2331489175 DVSAXCMPXAILPN-UHFFFAOYSA-N 465.347 6.938 50 10 JKGE COc1ccc([C@H](Br)c2ccc(OCc3ccccc3)cc2Br)cc1C 2336087005 SYQMSQSTAZOIHF-QFIPXVFZSA-N 476.208 6.829 50 10 JKGE Cc1cc([C@@H](Br)c2c(Br)c(Br)nn2C)c(Cl)cc1F 2338722894 RLCXHJPXCZLUOS-SECBINFHSA-N 475.381 5.530 50 10 JKGE Cc1cc(Br)c(F)c(Br)c1[C@@H](Br)C(F)(F)C(F)(F)F 2339649146 SAZXSZFOQQWOLF-MRVPVSSYSA-N 478.850 6.293 50 10 JKGE COC[C@]1(C)C[C@@H]1[C@@H](Br)c1c(C)cc(Br)c(F)c1Br 2339689309 NOJRGWUYVJQGJZ-UGQGEIBHSA-N 458.991 5.768 50 10 JKGE ClC[C@H](Cc1ccc(Cl)cc1I)c1ccc(Br)cc1 2341052533 UDEWWXMSFMFOEG-LBPRGKRZSA-N 469.975 6.272 50 10 JKGE CC1(C)CC[C@H](COc2c(Br)cc(Br)cc2CBr)C1 2341664501 GPXCLYFAYKYCRT-JTQLQIEISA-N 455.028 6.312 50 10 JKGE ClC[C@@H]1CCCC[C@@H]1CNCc1ccc(I)c(Br)c1 2349845700 RINHFEFZVIPPSA-QWHCGFSZSA-N 456.593 5.189 50 10 JKGE Cl[C@H]1CCC[C@H]2CC[C@H]1N2Cc1ccc(I)c(Br)c1 2349851615 FEUOLZUILZYYAO-CORIIIEPSA-N 454.577 5.178 50 10 JKGE Cc1cc(Br)c(F)c(Br)c1[C@@H](Br)[C@H]1CCCC(C)(C)O1 2365194587 SHBBWYXQXRMDMF-PWSUYJOCSA-N 473.018 6.443 50 10 JKGE CC(C)[C@@H](Br)C(C)(C)CN(C)C(=O)c1cc(Br)sc1Br 2365989973 BBZNYDDQRKPENX-LLVKDONJSA-N 490.099 5.791 50 10 JKGE Cc1ccc(N(C)Cc2c(Br)cccc2Br)c(CBr)c1 2366164360 ZRSFBIJHFPHTLK-UHFFFAOYSA-N 462.023 6.051 50 10 JKGE C[C@]1(NC(=O)c2scc(Br)c2Br)C[C@H]2CC[C@H]1C[C@@H]2Br 2380896737 LAIFWFCOVBTODT-JWUFEOHASA-N 486.067 5.345 50 10 JKGE ClCc1nc2c(Br)cccc2n1CCC12CC(I)(C1)C2 2381357659 ZDUQVOROXNSOGW-UHFFFAOYSA-N 465.560 5.285 50 10 JKGE COc1ccc(NC(=O)/C(C#N)=C\c2cn(CCOc3ccc(Cl)c(C)c3)c3ccccc23)cc1 2769096 YKCOYGNLRPPMBL-SILNSSARSA-N 485.971 6.236 50 10 JKGE Cc1ccc(C)c(NC(=O)CCC(=O)NNC(=O)N2c3ccccc3Sc3ccccc32)c1 13988857 JHILZWPJPDWWEL-UHFFFAOYSA-N 460.559 5.066 50 10 JKGE CCCCCCOc1ccc(C(=O)NNC(=O)CCCOc2ccc(Cl)cc2Cl)cc1 14025438 JTHSYMUHKZDFGH-UHFFFAOYSA-N 467.393 5.573 50 10 JKGE CCc1cccc(C)c1N/C(SCc1ccc(C)cc1)=C(/C#N)S(=O)(=O)c1ccccc1 20325590 YNDIHFAMSHGIQX-SHHOIMCASA-N 462.640 6.378 50 10 JKGE CCOC(=O)c1c(NC(=O)/C(C#N)=C/c2ccc(-c3ccc([N+](=O)[O-])cc3)o2)sc(C)c1C 28287318 DVMXFULBWVDTPC-LFIBNONCSA-N 465.487 5.256 50 10 JKGE COc1ccc(/C(C#N)=C\c2ccc(OC(=O)C(c3ccccc3)c3ccccc3)cc2)cc1OC 31900945 OSOGMUJREBAHSB-XHPQRKPJSA-N 475.544 6.505 50 10 JKGE CCOc1cccc(/C=N\NC(=O)CSc2nc3ccccc3n2Cc2ccc(Cl)cc2)c1O 33096970 QYDIXJMIXIPSMV-VYYCAZPPSA-N 495.004 5.085 50 10 JKGE CCOC(=O)/C(C#N)=C1/S[C@@H](Cc2cc(Cl)ccc2Cl)C(=O)N1c1ccc(F)cc1 34890907 YCHRCQNRSWEONM-CSRGTXSUSA-N 465.333 5.122 50 10 JKGE Cc1ccc(-n2c(C)cc(/C=C(/C#N)C(=O)Nc3ccc(SC(F)F)cc3)c2C)c(C)c1 35111025 JIYBBJGTKVGJTL-MOSHPQCFSA-N 451.542 6.571 50 10 JKGE N#C/C(=C/c1cn(-c2ccccc2)nc1C12CC3CC(CC(C3)C1)C2)C(=O)NCc1ccccc1 35447046 QYZZHFXKZFKIBG-QFEZKATASA-N 462.597 5.563 50 10 JKGE N#C/C(=C\c1ccc(-c2cccc(C(F)(F)F)c2)o1)c1nc(O)c2cc(Br)ccc2n1 35519049 LBWUZPFGNGLYPZ-UKTHLTGXSA-N 486.247 6.441 50 10 JKGE N#C/C(=C/c1cn(-c2ccccc2)nc1-c1cccc2ccccc12)C(=O)Nc1ccc2ccccc2c1 35519289 QVPKEKKCSNLKDY-XHPQRKPJSA-N 490.566 7.391 50 10 JKGE CC1(C)[C@]2(C)CC[C@@]1(C(=O)Nc1ccccc1Sc1ccccc1)[C@H](Br)C2=O 35548673 ZYBCZJLJUNQVFU-YSZBQJHXSA-N 458.421 5.935 50 10 JKGE CCCCCOc1ccc(/C=C2/C(=O)N(CCCOC(C)C)C(=O)C(C#N)=C2C)cc1OCC 38606684 YFLVQVLBYJVYAS-CJLVFECKSA-N 468.594 5.062 50 10 JKGE CCCOc1ccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)[C@@H](C)Oc4ccc(F)cc4)ccc32)cc1 38650676 HBCXGLPBUKXMKZ-QUGAMOGWSA-N 488.515 5.206 50 10 JKGE CCOc1ccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)COc4ccc(C(C)C)cc4)ccc32)cc1 38685919 HINQSUQSPIBWKE-NDEPHWFRSA-N 484.552 5.411 50 10 JKGE Cc1ccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4oc5ccc(F)cc5c4C)ccc32)cc1 38687010 LGTUCAORYVEDID-DEOSSOPVSA-N 454.457 5.626 50 10 JKGE Cc1c(C(=O)Nc2cccc3ccccc23)oc2c1/C(=N/NC(=O)c1ccccc1Cl)CCC2 40812674 UOAUSZGNFOTLGN-JBASAIQMSA-N 471.944 6.117 50 10 JKGE CCOc1ccc(NC(=O)/C(C#N)=C/c2cccc(OCc3ccc(Br)cc3)c2)cc1 59272191 PAAYKZCMOSOYMS-XSFVSMFZSA-N 477.358 5.972 50 10 JKGE CCCOc1c(I)cc(/C=C(\C#N)C(=O)Nc2cccc(C)c2C)cc1OC 59474950 KXGCIBYRXFNINL-LICLKQGHSA-N 490.341 5.251 50 10 JKGE CC(=O)Nc1ccc(N/C=C(/C#N)c2nc(-c3cc4cc(Cl)ccc4oc3=O)cs2)cc1 102934636 VSYYIHUTEVDJIV-PTNGSMBKSA-N 462.918 5.505 50 10 JKGE O=C(c1cc(Br)c(Br)s1)N(CCBr)C1CCCCC1 122682046 GGPHSVPBSWGFSU-UHFFFAOYSA-N 474.056 5.443 50 10 JKGE Cc1ccc([C@H](Br)c2cc(Br)c(Br)s2)cc1Cl 128212066 IPENKAKMNYBAQI-NSHDSACASA-N 459.428 6.719 50 10 JKGE Fc1cccc(COc2c(Br)cccc2CBr)c1Br 156896438 VBZCWWKHYGCMKE-UHFFFAOYSA-N 452.943 5.825 50 10 JKGE Cc1cc(I)ccc1NC(=O)/C(C#N)=C\Nc1ccc(Cl)cc1Cl 217253708 NSXGYRFLHHXCRW-LUAWRHEFSA-N 472.113 5.365 50 10 JKGE Brc1ccc([C@@H](Br)c2sccc2Br)c(Br)c1 232483233 ASOUUOWZKGEBJP-SNVBAGLBSA-N 489.852 6.520 50 10 JKGE Clc1ccc([C@@H](Br)c2cc(Br)c(Cl)s2)c(Br)c1 236061829 VTWDDUAKHSTZJE-SNVBAGLBSA-N 479.846 7.064 50 10 JKGE O=C(Cn1ccc2ccccc21)NN=C(c1ccc(C(F)(F)F)cc1)c1cccc(C(F)(F)F)c1 254303335 VDEIDPOVGVGXGW-UHFFFAOYSA-N 489.419 6.248 50 10 JKGE CC(=NNC(=O)c1cc(-c2ccc(C)cc2C)nc2ccccc12)c1ccc(NS(C)(=O)=O)cc1 254822132 ZHSKLAPSZBHOFZ-UHFFFAOYSA-N 486.597 5.044 50 10 JKGE CC(=NNC(=O)[C@H](Sc1ccccc1)c1ccccc1)c1cccc(NC(=O)C(F)(F)F)c1 254836212 RWYQITHRYKHHOA-OAQYLSRUSA-N 471.504 5.561 50 10 JKGE CC(C)(c1ccccc1)c1ccc(OCC(=O)NN=Cc2cccc(Br)c2)cc1 256017182 AKAUIBPLQDNUIX-UHFFFAOYSA-N 451.364 5.304 50 10 JKGE CC1(C)[C@@]2(C(Br)Br)CC[C@@]1(C(=O)N1CCCCCC1)[C@H]2Br 256022835 UNDBQHMYNMESEK-UVBJJODRSA-N 486.086 5.075 50 10 JKGE BrCc1ccc(Br)cc1N1C[C@@H]2CN(Cc3ccccc3)CC[C@H]2C1 310795887 ACWLLXBQEGHGMH-OALUTQOASA-N 464.245 5.302 50 10 JKGE CCOc1cc(Cl)c([C@@H](Br)c2sccc2I)cc1Cl 311407531 HQPWWZRKJBKGLQ-GFCCVEGCSA-N 492.003 6.543 50 10 JKGE Cc1ccc([C@H](Cl)c2cc(I)cc3c2OCC3)c(Br)c1 312264811 FHVAEKSOITVDSK-HNNXBMFYSA-N 463.540 5.625 50 10 JKGE Fc1ccc(COc2cccc(CBr)c2Br)c(Br)c1 315802420 DPLCSFSVRFEBGS-UHFFFAOYSA-N 452.943 5.825 50 10 JKGE FC(F)(F)c1csc([C@H](Br)c2cc(Cl)ccc2Cl)c1Br 380250559 PLBQLSBUOTWHCT-SECBINFHSA-N 468.947 7.321 50 10 JKGE C[C@@H](Cl)c1nc2cc(I)ccc2n1CCCCOCc1ccccc1 390540050 LCINDDZPMACJHU-OAHLLOKOSA-N 468.766 5.938 50 10 JKGE Clc1ccc(Br)cc1Oc1cccc(Br)c1CBr 394719497 VZNIGACQJDPWFP-UHFFFAOYSA-N 455.371 6.552 50 10 JKGE Cl[C@H]1[C@@H](Cc2ccccc2)[C@H](C(c2ccccc2)(c2ccccc2)c2ccccc2)[C@H]1Cl 575629646 BQLRFGJJPAVZGS-XFTNXAEASA-N 457.444 7.725 50 10 JKGE CC(=O)O[C@@H]1CC[C@]2(C)[C@H]3CC[C@]4(C)C(=O)CC[C@H]4[C@@H]3C[C@H](Br)[C@@]2(Br)C1 605694093 GJUBXVMRZCCIPH-JGBJLWPLSA-N 490.276 5.421 50 10 JKGE in-vitro CC(C)(C)OC(=O)NCCN1CCO[C@H](c2cccc(CO[Si](C)(C)C(C)(C)C)c2)C1 616648683 ROTOCOPTQREZID-NRFANRHFSA-N 450.696 5.106 50 10 JKGE CC(C)(C)[Si](C)(C)OCCc1cccc([C@H]2Cc3ccccc3N(Cc3ccccc3)C2)c1 616670582 IXXDDPAIWPSKLE-NDEPHWFRSA-N 457.734 7.597 50 10 JKGE BrCC(CBr)(C[C@@H]1CCCOC1)c1ccc(Br)cc1 690353467 IMTQLYHBDGTOKV-LBPRGKRZSA-N 455.028 5.293 50 10 JKGE C[C@H](Cl)c1nc2cc(I)c(F)cc2n1CC(C)(C)N(C)Cc1ccccc1 714233163 MFBRSGAZDVRNLB-AWEZNQCLSA-N 499.799 5.990 50 10 JKGE CCc1ccc(-n2c(C)cc(C=NNC(=O)c3cc4cc(Br)ccc4o3)c2C)cc1 1084101732 JHVKKIQSOCCSDI-UHFFFAOYSA-N 464.363 5.929 50 10 JKGE Cc1cc(C=NNC(=O)Nc2cccc(Br)c2)c(C)n1-c1ccc(C(=O)O)c(Cl)c1 1084343107 JZPQAPZDOXFWGN-UHFFFAOYSA-N 489.757 5.364 50 10 JKGE Cc1cc(/C=C(\C#N)c2ccc(Cl)cc2Cl)c(C)n1-c1cc(C(=O)O)cc(C(=O)O)c1 1084578964 DOBWCPXUCGUAFY-UBKPWBPPSA-N 455.297 5.862 50 10 JKGE COc1ccc(N2N=C(C#N)C3=C([C@@H](c4ccc(Cl)cc4)C(C#N)=C(N)O3)[C@H]2c2ccccc2)cc1 1088680970 DFKWOJSUUCRTMX-AZGAKELHSA-N 493.954 5.551 50 10 JKGE C[C@H](Oc1ccc(Cl)cc1Cl)C(=O)Nc1cc(C(=O)Nc2ccc(SC#N)cc2)ccn1 1860513792 IOLRLTWTKBMCGM-ZDUSSCGKSA-N 487.368 5.620 50 10 JKGE COc1cccc([C@H]2C(C#N)=C(N)Oc3c2c(-c2ccccc2)nn3Cc2ccc(Cl)cc2)c1O 1865684649 UUKZEPYLQMUSBV-QFIPXVFZSA-N 484.943 5.184 50 10 JKGE CCCc1nn(-c2cccc3ccccc23)c2c1[C@@H](c1cccc(OCC)c1)C(C#N)=C(N)O2 1865690187 KYIUQERYZYZYPQ-VWLOTQADSA-N 450.542 5.595 50 10 JKGE CCc1nn(Cc2ccccc2)c2c1[C@H](c1ccc(OCc3ccccc3)cc1)C(C#N)=C(N)O2 1865690222 LUIFGQLXKXVKEF-AREMUKBSSA-N 462.553 5.291 50 10 JKGE CCCCCOc1ccc([C@H]2C(C#N)=C(N)Oc3c2c(-c2ccccc2)nn3-c2ccccn2)cc1 1865690625 XKHYAKOWLQXJQG-VWLOTQADSA-N 477.568 5.721 50 10 JKGE CCCOc1cccc([C@H]2C(C#N)=C(N)Oc3c2c(-c2ccc(OC)cc2)nn3-c2ccccc2)c1 1865694495 WJFHMIASZJHZEF-VWLOTQADSA-N 478.552 5.555 50 10 JKGE CCOc1cc([C@@H]2C(C#N)=C(N)Oc3c2c(C)nn3Cc2ccccc2)ccc1OCc1ccccc1 1865694712 ZTMMJVPIHLGJEW-MUUNZHRXSA-N 492.579 5.436 50 10 JKGE CCCOc1ccccc1[C@H]1C(C#N)=C(N)Oc2c1c(-c1ccc(OC)cc1)nn2-c1ccccc1 1865702909 HZHJGHORBGXIEO-VWLOTQADSA-N 478.552 5.555 50 10 JKGE CCCc1nn(CC(C)C)c2c1[C@H](c1c(OCc3ccccc3)ccc3ccccc13)C(C#N)=C(N)O2 1865703815 GGLNHHLIZFPMGP-NDEPHWFRSA-N 492.623 6.442 50 10 JKGE COc1ccc(-n2nc(-c3ccccc3)c3c2OC(N)=C(C#N)[C@@H]3c2ccccc2OC(C)C)cc1 1865705057 KZGCVGKBXOWRAG-VWLOTQADSA-N 478.552 5.553 50 10 JKGE CSCC[C@H](NC(=O)[C@H](c1ccc(C(C)C)cc1)C(C)C)C(=O)Nc1ccc(SC#N)cc1 1866961984 QMJKKOHTSWOJLC-ZEQRLZLVSA-N 483.703 5.999 50 10 JKGE N#CSc1ccc(NC(=O)CNC(=O)Cc2c(-c3ccc(F)cc3)[nH]c3ccc(Cl)cc23)cc1 1868147345 HFNSHUUKPMGSOF-UHFFFAOYSA-N 492.963 5.498 50 10 JKGE N#CSc1ccc(Nc2cc(N3CCC[C@H](CO)C3)nc(-c3ccccc3Cl)n2)cc1 1868415257 VXXKBOKTFBVKAE-INIZCTEOSA-N 451.983 5.322 50 10 JKGE CCCOC(=O)c1ccc(Oc2c(C)oc3cc(OC(=O)C(Cl)Cl)ccc3c2=O)cc1 1871385302 LLWFQHPIKSSSSO-UHFFFAOYSA-N 465.285 5.170 50 10 JKGE CCc1cc2c(=O)c(-c3ccc(OC)c(OC)c3)c(C)oc2cc1OC(=O)C(Cl)Cl 1871386146 GPARBBLEIOFJSC-UHFFFAOYSA-N 451.302 5.057 50 10 JKGE CCc1cccc(C)c1N1C[C@H](/C(O)=C(\C#N)c2nc(-c3ccc(Cl)cc3)cs2)CC1=O 1872748344 TYWRTHDLKRYIQR-FCZGTTMTSA-N 463.990 6.180 50 10 JKGE COc1ccc(C(C)(C)C)cc1-c1csc(/C(C#N)=C(\O)COc2ccc(Cl)cc2)n1 1872751462 IZLITQBLUOJMKR-VZCXRCSSSA-N 454.979 6.641 50 10 JKGE COc1ccc(Cl)cc1N1C[C@@H](/C(O)=C(\C#N)c2nc(-c3c[nH]c4ccccc34)cs2)CC1=O 1872753118 IBMHLKQISCWPFP-BJJKHMRRSA-N 490.972 5.799 50 10 JKGE COc1ccc(-c2csc(/C(C#N)=C(\O)[C@H](C)Oc3ccc(Cl)cc3Cl)n2)c2ccccc12 1872758963 YOPWFXMMJMRDFR-WUXPNXBRSA-N 497.403 7.539 50 10 JKGE CCOc1cc(/C=C(\C#N)c2nc(-c3cccc(OC)c3)cs2)ccc1OCC(=O)N(CC)CC 1872781788 RAEHNYOENWKOCA-FYJGNVAPSA-N 491.613 5.529 50 10 JKGE CCOc1ccc(OCC)c(-c2csc(/C(C#N)=C/c3cccc(OCc4ccccc4)c3)n2)c1 1872792603 HSWXLGCTVLXKMA-HZHRSRAPSA-N 482.605 7.251 50 10 JKGE Cc1nsc(Br)c1[C@@H](Br)c1cc(Cl)c(Br)s1 1912971236 NADJLHMGYZPONX-ZETCQYMHSA-N 466.445 6.176 50 10 JKGE O=C(NC[C@H]1CC[C@H](CBr)CC1)c1cccc(Br)c1Br 1922694859 IMPFVIAFUGSTRW-XYPYZODXSA-N 468.027 5.143 50 10 JKGE Cc1c(Br)sc([C@H](Br)[C@@H]2Cc3ccccc3O2)c1Br 1922899686 DSAUKMYTBIQDBU-CMPLNLGQSA-N 467.020 6.021 50 10 JKGE Cc1c(Br)sc([C@H](Br)[C@@H]2[C@H]3CC[C@@H](C3)C2(C)C)c1Br 1922930540 SXWQGCZYGJHDNR-QFOLPQNPSA-N 471.096 7.090 50 10 JKGE Cc1oc(C)c([C@H](Br)c2sc(Br)c(C)c2Br)c1C 1922944885 ALTRMHRKGXOMFZ-NSHDSACASA-N 457.025 6.584 50 10 JKGE Clc1ccc(C[C@H](Br)c2sc(Br)cc2Br)cc1Cl 1922945343 FLRXDFIEESUCJZ-ZETCQYMHSA-N 493.873 7.259 50 10 JKGE Cc1cc(C)cc([C@@H](Br)c2sc(Br)c(C)c2Br)c1 1922946000 MMBOONHOOZFCRB-GFCCVEGCSA-N 453.037 6.683 50 10 JKGE CC(C)(c1ccccc1)[C@@H](Br)c1c(Br)sc(Br)c1Cl 1923067807 IXMUWNZMCDAHLP-NSHDSACASA-N 487.482 7.340 50 10 JKGE Fc1ccc(Br)c([C@@H](Br)c2c(Cl)sc(Br)c2Cl)c1 1925583953 GWAMFDVCFQMNML-MRVPVSSYSA-N 497.836 7.203 50 10 JKGE CC(C)[C@@H](C)N(Cc1ccccc1)c1c(CBr)ccc(Br)c1Cl 1939327440 BPARWJNTTJJQQY-CQSZACIVSA-N 459.653 7.049 50 10 JKGE Fc1c(Br)cccc1[C@H](Br)c1sc(Cl)cc1Br 1948829742 WSKVPQPDOHPUEF-VIFPVBQESA-N 463.391 6.550 50 10 JKGE CCc1sc(Br)cc1[C@@H](Br)c1cc(I)sn1 1983292034 CWQUGLJXSKLRBL-SNVBAGLBSA-N 493.027 5.618 50 10 JKGE CC(C)(C)N(Cc1ccccc1)S(=O)(=O)c1cc(CBr)sc1Br 1984649260 LNJLXOQEQDLHCB-UHFFFAOYSA-N 481.275 5.395 50 10 JKGE CC(C)c1ccccc1[C@@H](Br)c1cc(Br)c(Br)s1 2027521253 WBDQMJZAZOYYIZ-CYBMUJFWSA-N 453.037 6.881 50 10 JKGE CCc1sc(Br)cc1[C@H](Br)c1cccc(Br)c1Cl 2030224410 YFKRHHZETFQBJH-GFCCVEGCSA-N 473.455 6.973 50 10 JKGE Fc1cc(Br)c(Cl)cc1[C@@H](Br)c1cc(Cl)c(Cl)s1 2038474634 UBXDWLMGFXOZLU-SNVBAGLBSA-N 453.385 7.094 50 10 JKGE Cc1c(Br)sc([C@H](Br)C2CC(C3CCC3)C2)c1Br 2056678326 XZYWVPUGBOLECI-RTYFJBAXSA-N 457.069 6.844 50 10 JKGE Cc1cc(Br)c(C)c([C@H](Cl)c2occc2Br)c1Br 2081070882 LIYZUVZOOSSCRK-LBPRGKRZSA-N 457.387 6.512 50 10 JKGE CCCCCCCOc1ccc(-c2csc(/C(C#N)=C(\O)C(C#N)=Cc3ccccc3)n2)cc1 2084354288 RPXJMMMGUQCJNF-PLCRIEBXSA-N 469.610 7.559 50 10 JKGE CC(C)[C@@H]1CC[C@H](Br)[C@@H](Cc2cccc(Br)c2Br)C1 2092336134 UOCLFAXDCLVNSY-BNOWGMLFSA-N 453.056 6.590 50 10 JKGE FC(F)(F)c1csc([C@@H](Br)c2cc(Cl)c(Cl)s2)c1Br 2099838963 LPTQKDXANFSBQY-ZETCQYMHSA-N 474.976 7.382 50 10 JKGE COc1c(C)cc(Br)c(C)c1[C@H](Cl)c1cscc1OCc1ccccc1 2100089591 PFWORGUEVAEAQZ-HXUWFJFHSA-N 451.813 7.043 50 10 JKGE CC(C)(C)N1C[C@H](Cc2c(Br)cccc2Br)[C@@H](Br)C1 2100730206 JAVVHXHRSCYXED-HZMBPMFUSA-N 454.044 5.248 50 10 JKGE C[C@H](Cl)c1nc2cc(Br)c(Cl)cc2n1[C@H](C)CCOCc1ccccc1 2103815896 QZJSIWTXXRSNJZ-KGLIPLIRSA-N 456.211 6.920 50 10 JKGE O=C(c1csc(Br)c1Br)N1[C@H](CBr)C[C@@H]2CCC[C@@H]21 2108399558 ODSYQMBQVAQNOP-NRPADANISA-N 472.040 5.051 50 10 JKGE Cc1sc(Br)cc1[C@@H](Br)c1c(Br)cc(F)c(Cl)c1F 2136961782 PBINBNZAFAEFMP-SNVBAGLBSA-N 495.408 6.997 50 10 JKGE Cc1cc([C@H](Br)c2ccc(I)c(C)c2)c(C)cc1Br 2142139922 CMEIEABXBGPOJJ-MRXNPFEDSA-N 494.008 6.463 50 10 JKGE CN(Cc1ccccc1)C(C)(C)Cn1c(CCCl)nc2cc(Br)c(Cl)cc21 2159886578 VOXUGZJLDBVQQU-UHFFFAOYSA-N 469.254 6.144 50 10 JKGE Cc1c(F)cc(CBr)cc1S(=O)(=O)N(Cc1ccccc1)[C@@H](C)C(C)(C)C 2179862997 FZJFXVMQWICHIJ-INIZCTEOSA-N 456.421 5.655 50 10 JKGE FCCOc1ccc([C@H](Br)c2cc(Br)ccc2Br)cc1 2189493071 CMLAFMMNTWDILP-HNNXBMFYSA-N 466.970 6.044 50 10 JKGE COc1c(Cl)cc(Br)cc1[C@H](Br)c1ccc(C)c(Br)c1 2203000621 FWRXFOCXQKBPFK-CQSZACIVSA-N 483.425 6.666 50 10 JKGE CCN1C[C@@H](Cl)[C@H](c2sc(Br)c(Br)c2Br)C1 2212201164 UHVKQJNUJAKKTN-PHDIDXHHSA-N 452.437 5.062 50 10 JKGE Cc1c(Br)csc1[C@H](Br)c1cc(Cl)c(Cl)c(Cl)c1Cl 2226121057 HHPAEKNIASUKRL-MRVPVSSYSA-N 483.867 7.917 50 10 JKGE CC1([C@@H](Br)c2cc(Br)c(Br)cc2F)CCCCCCC1 2233977276 SVVYTQBBVWLBIH-HNNXBMFYSA-N 471.046 7.537 50 10 JKGE BrC[C@@H]1C[C@@H]2CCCC[C@@H]2N1Cc1cccc(Br)c1Br 2240678684 BLHACMWPCKSCCF-WHOFXGATSA-N 466.055 5.740 50 10 JKGE Cl[C@H](Cc1cc(Br)cc(Br)c1)c1cc(Br)cs1 2252835980 WIPFKPFRYOYBNA-LLVKDONJSA-N 459.428 6.558 50 10 JKGE CCc1cc([C@H](Br)c2c(F)cc(Br)cc2F)sc1Br 2267866008 JGMFYEQXCIWLSJ-LBPRGKRZSA-N 474.990 6.598 50 10 JKGE COc1ccc([C@@H](Br)c2cc(Cl)ccc2C)cc1I 2269558242 YDIMSULVNUCBKQ-OAHLLOKOSA-N 451.529 5.746 50 10 JKGE CC(C)c1cc(Br)cc([C@H](Br)c2ccc(F)c(Br)c2)c1 2280677870 XHIMMBHJIKXAJD-MRXNPFEDSA-N 464.998 6.958 50 10 JKGE Fc1cc(Br)c(F)c(Br)c1[C@@H](Cl)c1cc2sccc2s1 2288357338 VGYXTEIHJZFZBN-LBPRGKRZSA-N 458.574 7.094 50 10 JKGE BrCc1cc(Br)c(OC[C@@]23CCCC[C@@H]2CC3)c(Br)c1 2289158743 SFTXCLWZZARABR-WBMJQRKESA-N 467.039 6.456 50 10 JKGE COc1c(C)cc(C)cc1[C@H](Br)c1ccc(Cl)c(I)c1 2295369558 FZYJPFRHBYCQIJ-OAHLLOKOSA-N 465.556 6.054 50 10 JKGE N#CC(C(=O)Nc1ccc(F)cc1)=C1S[C@@H](Cc2ccccc2)C(=O)N1c1ccc(F)cc1 2296631425 CXLDKRGMOTWJPM-QFIPXVFZSA-N 461.493 5.030 50 10 JKGE CCOC(=O)C(C#N)=Cc1ccc(OCC(=O)N(C2CCCCC2)C2CCCCC2)c(OC)c1 2297709450 CNHKRMRBXVXQIY-UHFFFAOYSA-N 468.594 5.038 50 10 JKGE Brc1cc2sc([C@@H](Br)c3cnsc3Br)cc2s1 2300284712 JWHZHSDXFGLPPN-VIFPVBQESA-N 474.062 6.429 50 10 JKGE Cc1ccc(C)c(NC(=O)C(C#N)=Cc2cc(-c3ccccc3)n(-c3ccccc3)c2-c2ccccc2)c1 2313553265 ZUUUFMCJKNUCFO-UHFFFAOYSA-N 493.610 7.974 50 10 JKGE N#CC(=Cc1cn(Cc2ccc(Br)cc2)c2ccccc12)C(=O)Nc1ccc(Cl)cc1 2313630886 HEZBLGSIKLPZQA-UHFFFAOYSA-N 490.788 6.651 50 10 JKGE Cc1cccc(Oc2nc3c(C)cccn3c(=O)c2C=C(C#N)c2nc3ccccc3n2C)c1C 2314436995 XVWBICABSCDOJO-UHFFFAOYSA-N 461.525 5.363 50 10 JKGE FC[C@]12C[C@]([C@H](Br)c3ccc(OCc4ccccc4)cc3Br)(CO1)C2 2314442123 DNGQNDGZKOOHQP-VAMGGRTRSA-N 470.176 5.983 50 10 JKGE CCOc1ccc(N2C(=O)[C@@H](Cc3ccccc3)SC2=C(C#N)C(=O)N[C@@H](C)c2ccccc2)cc1 2314593650 QLESHEFLPOKSLV-RXFWQSSRSA-N 497.620 5.389 50 10 JKGE CCCCOc1ccc(C=C(C#N)C(=O)Oc2ccc3cc(C(=O)N[C@H](C)CC)c(=O)oc3c2)cc1 2314750951 GPQONZWSSBXUEB-GOSISDBHSA-N 488.540 5.013 50 10 JKGE COc1cc([C@@H](Br)c2sc(Br)c(C)c2Br)sc1Cl 2317955329 MUVBEYUOPCTFKO-MRVPVSSYSA-N 495.483 6.789 50 10 JKGE N#CC(=Cc1ccc(OC(=O)CCCOc2ccc(Cl)cc2Cl)cc1)c1ccc(Cl)cc1 2320506101 BOVPPJVRFLXOSD-UHFFFAOYSA-N 486.782 7.476 50 10 JKGE CCCCOC(=O)c1ccccc1NC(=O)C(C#N)=CNc1ccc(Br)cc1C 2325311220 DAAWSDVQXJMSSY-UHFFFAOYSA-N 456.340 5.173 50 10 JKGE CCn1c(C(C#N)=Cc2ccc(OCc3ccc(Cl)c(Cl)c3)c(OC)c2)nc2ccccc21 2331071863 SBBGXWFSOXDAEZ-UHFFFAOYSA-N 478.379 7.015 50 10 JKGE N#CC(=C(O)c1ccc(N2CCCC2)c([N+](=O)[O-])c1)c1nc(-c2ccc(Cl)c(Cl)c2)cs1 2331311857 FNHIHEZMRZUEAV-UHFFFAOYSA-N 487.368 6.575 50 10 JKGE N#CC(=C(O)CCCOc1ccc(Cl)cc1Cl)c1nc(-c2c[nH]c3ccccc23)cs1 2331349122 SHHLYEGKMOYKMI-UHFFFAOYSA-N 470.381 7.250 50 10 JKGE COc1ccc(C)cc1-c1csc(C(C#N)=Cc2ccc(OCc3ccccc3C)cc2)n1 2331449337 OWFJHGOSIABJDB-UHFFFAOYSA-N 452.579 7.079 50 10 JKGE Fc1cc(Cl)c(Br)c(Cl)c1[C@@H](Cl)c1ccc(OCc2ccccc2)cc1 2335302777 SPHWDOIKKJVMEM-IBGZPJMESA-N 474.584 7.802 50 10 JKGE Brc1cc(OCc2ccccc2)ccc1[C@@H](Br)C[C@H]1CCCCC12CC2 2336073150 SMBATPWDHSGRER-NQIIRXRSSA-N 478.268 7.825 50 10 JKGE ClCc1nc2cnc3cccnc3c2n1CCCN(Cc1ccccc1)Cc1ccccc1 2336920318 SQTPZIFTTDNMHC-UHFFFAOYSA-N 455.993 5.811 50 10 JKGE Cc1cc(CBr)ccc1OCc1ccc(Cl)c(I)c1 2337269818 DSMCPMCYJQFTHC-UHFFFAOYSA-N 451.529 5.727 50 10 JKGE COc1c(Br)cc(C)c([C@@H](Br)C[C@H](C)C2CC2)c1Br 2339639887 RMXYAGDDXVXIJT-KWQFWETISA-N 455.028 6.401 50 10 JKGE COc1c(Br)cc(C)c([C@H](Br)C2CC(C)(C)C2)c1Br 2339690021 GQUGSGHCTVSYGM-GFCCVEGCSA-N 455.028 6.401 50 10 JKGE CC[C@@H](Br)[C@H]1CCCCN1Cc1ccc(Cl)cc1I 2341052096 RMFFQQDEFLXBOT-UKRRQHHQSA-N 456.593 5.473 50 10 JKGE C[C@@H](c1ccncc1F)[C@@H](Br)c1ccc(I)c(Cl)c1 2344692098 JJEQWBULUCAQPD-RMLUDKJBSA-N 454.508 5.718 50 10 JKGE CC1(C)CC[C@@H](Cl)[C@@H](Cc2ccc(I)c(Br)c2)CC1 2349778908 PPKDLDABOLDRBA-TZMCWYRMSA-N 455.605 6.420 50 10 JKGE ClC[C@@H]1C[C@H]2CCC[C@H]2N1Cc1ccc(I)c(Br)c1 2349825317 CKNDDJHPDCWNKG-TYNCELHUSA-N 454.577 5.036 50 10 JKGE C[C@]1([C@@H](Br)c2c(F)cc(Cl)c(Br)c2Cl)C[C@H]1C(F)(F)F 2360418268 PINOYQGJGIUIFW-DADVEIPYSA-N 458.902 6.920 50 10 JKGE COc1c(Br)cc(C)c([C@H](Br)[C@]23C[C@H](OC)[C@H]2C3)c1Br 2365191260 MMYJSSDGRMFWBA-RMQCSFIASA-N 469.011 5.390 50 10 JKGE O=[N+]([O-])c1sc(CCl)cc1OCc1cc(I)ccc1Br 2367518382 VMRAOZGJKBUPCC-UHFFFAOYSA-N 488.528 5.341 50 10 JKGE O=C(c1cc(Br)c(Br)s1)N1C[C@@H]2C[C@@H](CBr)C[C@@H](C2)C1 2369339979 CGYZNTMEDNUJLS-OWUUHHOZSA-N 486.067 5.156 50 10 JKGE Cc1cc(Cl)c([C@H](Br)c2cc(C3CC3)c(Br)s2)c(Cl)c1 2381300535 XDWOQUVZNKZAMR-CQSZACIVSA-N 455.042 7.488 50 10 JKGE CCOC(=O)/C(C#N)=C\c1ccc(OC(=O)/C(C#N)=C/c2ccc(C(C)C)cc2)c(OCC)c1 958020 JDDMQOFKRDFMKQ-PRNVYGQNSA-N 458.514 5.191 50 10 JKGE N#C/C(C(=O)Nc1ccccc1Cl)=C1\S[C@@H](Cc2ccc(Cl)cc2)C(=O)N1c1ccccc1 2329029 OSTOWPRTILEEHY-ZUGOUDHMSA-N 494.403 6.058 50 10 JKGE N#CC1=C(N)N2C(=C(C#N)[C@@H]1c1ccc(-c3cc(Cl)ccc3Cl)o1)Sc1ccccc12 2367157 DJAKMWMXGKFHAU-OAQYLSRUSA-N 463.349 6.392 50 10 JKGE N#CC1=C(N)N2C(=C(C#N)[C@H]1c1ccc(-c3cccc(C(F)(F)F)c3)o1)Sc1ccccc12 2420729 BYUYDSWVFKEELK-NRFANRHFSA-N 462.456 6.104 50 10 JKGE C[C@@H](Oc1ccc(Cl)cc1Cl)C(=O)Oc1cccc(/C=C(/C#N)c2ccc(Cl)cc2)c1 31903066 BWXPPUAHBGSSBU-JQFNYASXSA-N 472.755 7.084 50 10 JKGE CCOc1cc(/C=C(/C#N)C(=O)Nc2ccc(OC)cc2)ccc1OC(=O)c1ccc(C)cc1 33410229 KCJHOFOKVZKTEU-QNGOZBTKSA-N 456.498 5.167 50 10 JKGE Cc1ccc(-c2nc(/C(C#N)=C\C3=Cc4ccccc4O[C@H]3C)sc2NC(=O)c2ccco2)cc1 34982904 CWPJMBAQMKNIHU-CEZZIEKDSA-N 479.561 6.735 50 10 JKGE CCOc1ccc(NC(=O)/C(C#N)=C\c2cn(-c3ccccc3)nc2C23CC4CC(CC(C4)C2)C3)cc1 35447042 ONARZJVFSJDMMA-IWIPYMOSSA-N 492.623 6.284 50 10 JKGE N#CC1=C(N)Oc2cc(OC(=O)Cc3ccc(Cl)cc3)ccc2[C@@H]1c1ccc(Cl)cc1 38651426 HFZIPYUVVQCRKU-QHCPKHFHSA-N 451.309 5.360 50 10 JKGE C=CCOc1ccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4ccc(OCCC)cc4)ccc32)cc1 38658138 CMTPFTUWZXQLBF-MHZLTWQESA-N 482.536 5.478 50 10 JKGE COc1ccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4oc5ccc(C)cc5c4C)ccc32)c(OC)c1 38688469 XAURYRRQIJIJKA-AREMUKBSSA-N 496.519 5.504 50 10 JKGE CCOC(=O)c1c(NC(=O)c2nc(C)sc2-c2ccccc2)sc(/C(C)=C/C#N)c1C 40326967 FWMZJWYDXRHXDV-ACCUITESSA-N 451.573 5.844 50 10 JKGE CCN(c1ncnc(NNC(=O)c2ccccc2Cl)c1[N+](=O)[O-])c1cccc2ccccc12 40589274 HQIUFKPCIAMMNZ-UHFFFAOYSA-N 462.897 5.106 50 10 JKGE Cc1cccnc1NC(=O)c1oc2c(c1C)/C(=N/NC(=O)c1ccc(Cl)cc1Cl)CCC2 40813666 XVSQZHIWYGEKAM-OGLMXYFKSA-N 471.344 5.321 50 10 JKGE C/C(=N/NC(=O)c1cccc(S(=O)(=O)Nc2cccc(Cl)c2)c1)c1cc2ccccc2o1 89262801 OLVVIHGVAWWBPR-MYYYXRDXSA-N 467.934 5.041 50 10 JKGE N#C/C(=C/c1ccc(OCc2c(F)cccc2Cl)cc1)C(=O)NCc1ccc2c(c1)OCO2 96504282 SNKPTXOFNKUBMN-ZDLGFXPLSA-N 464.880 5.010 50 10 JKGE COc1ccc(Cl)cc1NC(=O)/C(C#N)=C\c1cccn1Cc1ccc(Cl)cc1Cl 96504359 WZXWDBIYJFAOMI-DHDCSXOGSA-N 460.748 6.051 50 10 JKGE CC[C@]1(C)[C@@H](Br)C[C@@H]1Oc1c(Br)cc([N+](=O)[O-])cc1Br 97647109 MWGXRZSBFNWXGO-GMXVVIOVSA-N 471.971 5.451 50 10 JKGE CCCCCCCCCCCCCCCCNC(=O)[C@@]12CC[C@@](C)(C(=O)[C@@H]1Br)C2(C)C 100924249 DZCAXIWONYWYEU-WDDWZANVSA-N 498.590 7.743 50 10 JKGE COc1ccc(NS(=O)(=O)c2ccc(N/C=C(/C#N)c3nc4cc(Cl)ccc4o3)cc2)cc1 108481844 XFXVXSUGAUOSEB-PFONDFGASA-N 480.933 5.267 50 10 JKGE O=C(C[P+](c1ccccc1)(c1ccccc1)c1ccccc1)C1=C[C@@H](/C=C/c2ccccc2)OC1=O 111448148 IPNRVMZVJKDWPB-VYNOCKSYSA-N 489.531 5.115 50 10 JKGE COc1cc(Br)c(Oc2cc(Br)ccc2CCl)cc1Br 118817693 BJUWDSZJQWSTLG-UHFFFAOYSA-N 485.397 6.514 50 10 JKGE Cc1cc([C@@H](Br)c2c(F)cc(Br)cc2F)sc1Br 122342698 SBXPGTYAFHJJMS-LLVKDONJSA-N 460.963 6.344 50 10 JKGE Br[C@H](c1ccc(C2CCCCC2)cc1)c1csc(I)c1 124416612 BRDCWMQYOKOTDH-QGZVFWFLSA-N 461.206 6.885 50 10 JKGE COc1c(C)cc(Br)c(C)c1[C@H](Cl)c1ccc(I)cc1 125657357 XKSONNIXJOUGQI-OAHLLOKOSA-N 465.556 6.007 50 10 JKGE Fc1cccc(C[C@@H](Br)c2cc(Br)c(Br)s2)c1F 128218870 BEFLJCKPZKUOTJ-SSDOTTSWSA-N 460.963 6.230 50 10 JKGE COc1cccc(C[C@H](Br)c2cc(Br)c(Br)s2)c1 128271348 ZXKOVQFZEYEYLW-JTQLQIEISA-N 455.009 5.960 50 10 JKGE COc1cc([C@@H](Br)c2cc(Br)c(Br)s2)ccc1F 147925002 YIONFHRTIDUHKN-LLVKDONJSA-N 458.972 5.905 50 10 JKGE Cc1cc(Br)c([C@@H](Cl)c2c(F)cccc2Br)cc1Br 161224180 WAPYQVFJSXBLFO-CQSZACIVSA-N 471.389 6.750 50 10 JKGE Brc1ccc([C@@H](CI)OCc2ccccc2Br)cc1 162553701 SUWKQLUCWGPCMO-OAHLLOKOSA-N 495.980 5.905 50 10 JKGE C[C@@H](CCC=O)[C@H]1CC[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@@]21C 196450985 SJKYBZKXRMDCDB-NNJJVJDCSA-N 472.830 8.571 50 10 JKGE Cc1ccc(C(=O)N[C@H](NC(=S)Nc2ccc(Cl)c(Cl)c2)C(Cl)Cl)cc1 198698552 LPZYUUKBMLYWOW-OAHLLOKOSA-N 451.206 5.148 50 10 JKGE CC1=C(C#N)C(=O)N(Cc2ccc(C)cc2)C(=O)/C1=C\c1cn(-c2ccccc2)nc1-c1ccc(C)cc1 214376300 CYJFZCRZNFTXPM-QRQIAZFYSA-N 498.586 5.949 50 10 JKGE CC(=O)c1cccc(NC(=O)/C(C#N)=C\Nc2ccc(-c3nc4ccc(C)cc4s3)cc2)c1 217243048 SEGVMTRHVXDYQH-HKWRFOASSA-N 452.539 5.932 50 10 JKGE COCCOc1ccc([C@@H](Br)c2cc(C)c(Br)s2)cc1Br 229015238 RUVYKVLJOAXCTP-CQSZACIVSA-N 499.062 6.091 50 10 JKGE CCOc1ccc(Br)cc1[C@H](Cl)c1cc(Br)sc1Br 233785345 BSCGZTGZQKRTEO-LBPRGKRZSA-N 489.454 6.763 50 10 JKGE CC[C@H](C)c1ccc([C@H](Cl)c2cc(I)ccc2Br)cc1 234024532 DBVNZRZJIBNWHL-GTNSWQLSSA-N 463.584 6.895 50 10 JKGE COc1ccc([C@H](Br)c2cc(Br)ccc2I)c(C)c1 234991965 IFFCFDWHDQZENQ-HNNXBMFYSA-N 495.980 5.855 50 10 JKGE C[C@@H]1Cc2cc([C@@H](Br)c3cc(Br)cc(Br)c3)ccc2O1 235406723 VSPKGAKETQXSNP-JDNHERCYSA-N 460.991 6.019 50 10 JKGE C[C@H](Br)c1ccccc1NC(=O)c1cc(Br)cc(Br)c1 235411690 MXTSNAPGAFYEQQ-VIFPVBQESA-N 461.979 5.920 50 10 JKGE Fc1cccc(F)c1C[C@@H](Br)c1cc(Br)cc(Br)c1 236180713 IQPAMKBFVVSDKR-GFCCVEGCSA-N 454.934 6.169 50 10 JKGE CC(C)(C)CC(C)(C)c1ccc(OCC(=O)NN=Cc2c(O)ccc3ccccc23)c([N+](=O)[O-])c1 254347166 ACJGKUSYFWRERZ-UHFFFAOYSA-N 477.561 5.697 50 10 JKGE CC(C)(C)CC(C)(C)c1ccc(OCC(=O)NN=Cc2cccc(OC(=O)c3ccco3)c2)cc1 254506588 SRROBILRSMMYEF-UHFFFAOYSA-N 476.573 5.742 50 10 JKGE ClCc1nc2c(Cl)cccc2n1-c1cc(Br)ccc1I 380212619 HKMHHXMITVSIER-UHFFFAOYSA-N 481.946 5.785 50 10 JKGE N#CSc1ccc(NC(=O)c2ccc(NC(=O)N3CCN(c4ccccc4F)CC3)cc2)cc1 586667158 VTCWFXAXAVTNBJ-UHFFFAOYSA-N 475.549 5.005 50 10 JKGE CC(C)(C)OC(=O)NCCN1CCO[C@@H](c2cccc(CCO[Si](C)(C)C(C)(C)C)c2)CC1 616596163 QRIMICRRCICURR-HSZRJFAPSA-N 478.750 5.539 50 10 JKGE CC(C)(C)OC(=O)Nc1cccc([C@H]2CN(CCO[Si](C)(C)C(C)(C)C)CCCO2)c1 616599208 RGYRPKJVTAQHPA-OAQYLSRUSA-N 450.696 5.819 50 10 JKGE O=C(Nc1ccccc1C(=O)NN=Cc1c(F)cccc1Cl)c1cccc(Br)c1 1084116001 HOPFMDGNWFCBPX-UHFFFAOYSA-N 474.717 5.258 50 10 JKGE Cc1cc(C=NNC(=O)c2ccc(CN3CCc4ccccc4C3)cc2)c(C)n1-c1ccccc1 1084220321 FAZZKPSFUQGRTK-UHFFFAOYSA-N 462.597 5.416 50 10 JKGE Cc1cccc(COc2c(Cl)cc(C=NNC(=O)c3cc4ccccc4o3)cc2Cl)c1 1084247836 WOWIOIBUTHZXBL-UHFFFAOYSA-N 453.325 6.391 50 10 JKGE CCOc1cc(C=NNC(=O)CC[C@H](O)c2ccccc2)cc(Cl)c1OCc1ccccc1 1084594229 OKIIZEQYVMLNSD-QHCPKHFHSA-N 466.965 5.282 50 10 JKGE O=C(CSc1nc(-c2ccccc2)cs1)NN=Cc1ccc(OCCc2ccccc2)cc1 1772755139 PJTGLGAIPYRMCP-UHFFFAOYSA-N 473.623 5.674 50 10 JKGE N#CC1=C(N)Oc2c(c(-c3ccccc3)nn2-c2ccccc2)[C@H]1c1cccc(Br)c1 1865683286 CGLVKXSHCRTYCD-NRFANRHFSA-N 469.342 5.520 50 10 JKGE COc1ccc(-c2nn(-c3ccc(Cl)cc3)c3c2[C@H](c2cccc([N+](=O)[O-])c2)C(C#N)=C(N)O3)cc1 1865706562 ZJZHMYKIWGOKBU-JOCHJYFZSA-N 499.914 5.328 50 10 JKGE CSCC[C@@H](NC(=O)/C(C)=C/c1ccccc1Cl)C(=O)Nc1ccc(SC#N)cc1 1866817335 CVBABURSZSAIGK-UPTIQUDWSA-N 460.024 5.193 50 10 JKGE COc1ccc2c(c1)CCN(c1cc(Nc3ccc(SC#N)cc3)nc(-c3ccccc3)n1)[C@H]2C 1868364945 IXBJYBOEMIGQTG-IBGZPJMESA-N 479.609 6.593 50 10 JKGE COc1cc(/C=C(\C#N)c2ccc(Cl)cc2F)ccc1OCc1c(Cl)cccc1Cl 1872729446 KJFKWEYPZNEQIB-OQLLNIDSSA-N 462.735 7.438 50 10 JKGE CC(C)CN1C(=O)c2ccc(/C(O)=C(\C#N)c3nc(-c4ccc(Cl)cc4Cl)cs3)cc2C1=O 1872744623 AIPDGGQALVRZGS-UZYVYHOESA-N 498.391 6.319 50 10 JKGE COc1cc(/C=C/C(O)=C(\C#N)c2nc(-c3cccc4ccccc34)cs2)cc(OC)c1OC 1872752236 SOQAPYUYSNLUOG-IUILDABZSA-N 470.550 6.495 50 10 JKGE N#C/C(=C(/O)c1ccc(F)c(F)c1F)c1nc(-c2ccc(Oc3ccccc3)cc2)cs1 1872754021 YSXDNFQXPMXUJK-NKFKGCMQSA-N 450.441 6.970 50 10 JKGE Cc1cc(OCCC/C(O)=C(\C#N)c2nc(-c3ccc(Cl)s3)cs2)cc(C)c1Cl 1872758028 IIRDKSIAYIHZIC-ICFOKQHNSA-N 465.427 7.447 50 10 JKGE Cc1cc(C)c(C)c(-c2csc(/C(C#N)=C/c3ccc(OCc4ccccc4)cc3)n2)c1C 1872792706 MOTSTOQTGCTPFO-MFKUBSTISA-N 450.607 7.687 50 10 JKGE COc1ccc(Cl)cc1-c1csc(/C(C#N)=C/c2ccc(OCc3ccccc3Cl)cc2)n1 1872795273 WUBWPCBXMQDUBG-XDHOZWIPSA-N 493.415 7.769 50 10 JKGE O=C(c1ccc(I)c(Cl)c1)N(CCCBr)Cc1ccccc1 1914628575 VYCVPHQSJJAEGC-UHFFFAOYSA-N 492.582 5.372 50 10 JKGE CC(C)[C@H](CCl)N(Cc1ccccc1)Cc1ccc(Br)cc1Br 1915296855 ZDRUUGIPWQCZPB-IBGZPJMESA-N 459.653 6.477 50 10 JKGE Cc1sc(Br)cc1S(=O)(=O)N(Cc1ccccc1)C(C)(C)CBr 1915766543 CRQLAZLJFPRFIO-UHFFFAOYSA-N 481.275 5.183 50 10 JKGE Cc1c(Br)sc([C@H](Br)C(C)(C)CC(F)(F)F)c1Br 1922929861 MLFJQRICTVJHKV-QMMMGPOBSA-N 472.990 6.996 50 10 JKGE COC1(C(F)(F)[C@@H](Br)c2sc(Br)c(C)c2Br)CCC1 1922936842 XBALKTYIFFVSFM-VIFPVBQESA-N 483.010 6.222 50 10 JKGE Cc1cc([C@H](Cl)c2c(Br)sc(Br)c2Cl)c(F)cc1F 1923066088 LNZQONMVRYSHAU-VIFPVBQESA-N 450.957 6.841 50 10 JKGE CCCC(=O)[C@@H](Br)Cc1cc(Br)c(Br)c(Br)c1 1946434211 GZSIKMUUTQVUSE-QMMMGPOBSA-N 491.843 5.649 50 10 JKGE CC(C)(C)OC(=O)N1CC(N(Cc2ccccc2)CC2(CBr)CCCCC2)C1 1955956269 NYQRFSGDERJFDD-UHFFFAOYSA-N 451.449 5.453 50 10 JKGE CC(F)(F)[C@@H]1C[C@@H]1[C@H](Br)c1c(Br)sc(Br)c1Cl 2000491299 IRTZQNKGZKSIRQ-RPDRRWSUSA-N 473.402 6.654 50 10 JKGE Cc1cc([C@@H](Cl)c2c(Br)sc(Br)c2Br)sc1Cl 2000997453 GJGZVIQLNRTARP-SSDOTTSWSA-N 499.902 7.387 50 10 JKGE FC(F)(F)[C@@]1(CBr)C[C@@H]1c1ccc(OCc2ccccc2)c(OCc2ccccc2)c1 2024237581 HPSAZKDWTBGSMM-ZJSXRUAMSA-N 491.347 7.276 50 10 JKGE Clc1ccccc1C[C@@H](Br)c1c(Br)cccc1Br 2033090988 LYANXUCURCJINW-GFCCVEGCSA-N 453.399 6.544 50 10 JKGE N#CC(=Cc1ccc(OCc2ccccc2)c(OCc2ccccc2)c1)c1nnc2n1CCCCC2 2040446616 JDVGUNBXMMVELI-UHFFFAOYSA-N 476.580 6.227 50 10 JKGE CC1(C)CCC[C@H]([C@H](Cl)c2c(Br)sc(Br)c2Br)C1 2049572639 BGKDDPPMQWGSLT-XVKPBYJWSA-N 479.503 7.532 50 10 JKGE O=C(NCCCCCCCCCCCCBr)OCC1c2ccccc2-c2ccccc21 2060015156 NAACMYQMUBLHNY-UHFFFAOYSA-N 486.494 7.821 50 10 JKGE Brc1cc([C@H](Br)C2C3(CCC3)C23CCC3)c(Br)s1 2083560310 FSNCWAQJYSPVOS-JTQLQIEISA-N 455.053 6.680 50 10 JKGE CC(C)OC(C)(C)COc1c(Br)cc(Br)cc1CBr 2087188546 MOXAKFBOMPYCCV-UHFFFAOYSA-N 459.016 5.689 50 10 JKGE Brc1cccc(CC[C@H](Br)CN2CCCCC2)c1Br 2099487601 XSFQIXVEGDKFEL-ZDUSSCGKSA-N 454.044 5.394 50 10 JKGE FC1(COc2c(Br)cc(CBr)cc2Br)CCCCC1 2109631322 FGJHAEUUWRUWPS-UHFFFAOYSA-N 458.991 6.158 50 10 JKGE Fc1ccccc1[C@H](Br)CCc1cccc(Br)c1Br 2113380547 AIBQYGSLJCACDH-GFCCVEGCSA-N 450.971 6.420 50 10 JKGE O=C(c1scc(Br)c1Br)N1CC[C@H](Br)CC12CCC2 2113564571 POVVISXBPIWWPT-QMMMGPOBSA-N 472.040 5.195 50 10 JKGE Cl[C@@H](c1c(Br)sc(Br)c1Br)[C@@H]1CCCCC12CCC2 2117006692 GLIOFQUPLGRDMH-GZMMTYOYSA-N 491.514 7.676 50 10 JKGE Cc1c(Br)cc2c(c1Br)CC[C@@H](C(F)(F)F)C[C@H]2Br 2138864466 KXEVKDRMEGJRMA-RDDDGLTNSA-N 464.945 6.471 50 10 JKGE Fc1ccc(Br)c(COc2ccc(CBr)cc2Br)c1 2141338747 JVIFYSPVHHXMTO-UHFFFAOYSA-N 452.943 5.825 50 10 JKGE Brc1ccc([C@H](Br)[C@H]2C[C@H]3COC[C@H](C3)C2)c(Br)c1 2141795353 WJNPKEHCXNHMQG-JNIYBQFBSA-N 453.012 5.710 50 10 JKGE COc1ccc(C)cc1[C@@H](Br)c1ccc(Br)cc1I 2142287487 NBEAMGPITINJMY-HNNXBMFYSA-N 495.980 5.855 50 10 JKGE Clc1cc(CN2CC[C@H](CBr)C23CCC3)ccc1I 2142943572 NBCZFAOEGMGOCZ-GFCCVEGCSA-N 454.577 5.084 50 10 JKGE Fc1cccc(OCc2ccc(I)c(Cl)c2)c1CBr 2142948594 BXEQORQUKCQMNP-UHFFFAOYSA-N 455.492 5.558 50 10 JKGE COc1cc(Br)c(C)cc1[C@H](Br)c1ccc(Br)c(C)c1 2145960265 FNGDJZCADDCUMI-MRXNPFEDSA-N 463.007 6.321 50 10 JKGE FC1(F)CCC2(CC1)C[C@H]2[C@@H](Cl)c1c(Br)sc(Br)c1Cl 2163395861 JYHQIFSPEYBHOH-POYBYMJQSA-N 469.016 7.422 50 10 JKGE C[C@H](Cl)CCCc1cn(-c2cc(Br)c(Br)c(Br)c2)nn1 2189276182 ARQXABNYKVRJKJ-QMMMGPOBSA-N 486.433 5.505 50 10 JKGE C[C@@H](CCC(CBr)(CBr)c1ccccc1Br)C(F)(F)F 2191533719 VXTDATGFIWICQG-JTQLQIEISA-N 480.988 6.455 50 10 JKGE Cc1cc(Br)c(C)c([C@@H](Br)CC23CCC(CC2)C3)c1Br 2201069439 CSNUFBWAHIRVIM-TVIZTDCDSA-N 465.067 7.235 50 10 JKGE COc1cccc([C@H](Br)c2c(C)c(Br)cc(C)c2Br)c1 2201070811 CNHBLTUVPSTPBW-INIZCTEOSA-N 463.007 6.321 50 10 JKGE O=C(c1csc(Br)c1Br)N1CC[C@@H]2CC[C@@H](Br)C[C@H]2C1 2204107864 VSPRSAXADFQUPB-LPEHRKFASA-N 486.067 5.299 50 10 JKGE COc1c(C)cc(Br)cc1[C@@H](Cl)c1ccc(F)cc1I 2206587600 SPOICBAMATUJPP-AWEZNQCLSA-N 469.519 5.838 50 10 JKGE Cc1oc(Br)cc1[C@@H](Cl)c1cc(Br)c(Br)cc1F 2218606159 OITFBELZFQVXAX-GFCCVEGCSA-N 461.350 6.343 50 10 JKGE Fc1cc(Br)c(Br)cc1[C@H](Br)C1CCC2(CC1)CC2 2225617832 VYINTMTVMNGZBQ-CQSZACIVSA-N 455.003 6.757 50 10 JKGE Clc1cc(Br)c([C@H](Cl)Cc2ccccc2Br)c(Cl)c1Cl 2232509116 IIJCPJAEJVCYJW-SNVBAGLBSA-N 477.838 7.694 50 10 JKGE Fc1cc(Br)c(Br)cc1[C@H](Cl)c1cc2c(s1)CCSC2 2233969280 ITOHQOYEXSFPPB-AWEZNQCLSA-N 456.627 6.530 50 10 JKGE COc1cc(Cl)c([C@H](Br)c2sc(C)c(Br)c2C)cc1Cl 2234471574 SRIXTYNDFMBPIU-ZDUSSCGKSA-N 459.030 6.927 50 10 JKGE Cc1cc(Br)c([C@H](Br)[C@@H]2C[C@H]3C[C@H]2[C@H]2C[C@H]23)c(C)c1Br 2235605645 KTPCRQKSXQMDJV-PHQHMXHNSA-N 463.051 6.557 50 10 JKGE Cc1cccc([C@H](Br)c2sc(C)c(C)c2Br)c1Br 2253506723 ZHADOYISJGUAHA-ZDUSSCGKSA-N 453.037 6.683 50 10 JKGE FCc1ccc2c(c1)nc(CCCl)n2CCCN(Cc1ccccc1)Cc1ccccc1 2256335566 JMYKNHFMFXUXPE-UHFFFAOYSA-N 450.001 6.380 50 10 JKGE COCC1([C@H](Br)c2c(F)cc(Br)c(F)c2Br)CCC1 2272722334 RZGYDQUWKBAKMO-GFCCVEGCSA-N 462.954 5.743 50 10 JKGE Fc1cc(Br)c(F)c(Br)c1[C@H](Br)[C@@H]1C[C@H]2CC[C@H]1O2 2272730143 BJMYIYRNQKQWIU-LIUHEQGWSA-N 460.938 5.493 50 10 JKGE Cc1cc([C@H](Cl)c2c(F)cc(Br)c(F)c2Br)c(Br)s1 2272844907 XYYAUTPTBLUVHR-JTQLQIEISA-N 495.408 6.950 50 10 JKGE Fc1cccc(Br)c1C[C@@H](CBr)c1cccc(Br)c1 2274023541 STIHPXBITUNYEP-NSHDSACASA-N 450.971 6.072 50 10 JKGE Cc1ccc(Br)c([C@@H](Br)c2c(Br)cc(C)c(F)c2C)c1 2279159891 WVQVKFSESCAFSC-OAHLLOKOSA-N 464.998 6.760 50 10 JKGE BrCc1cc(Br)cc(Br)c1OCC[C@@H]1CCCC12CC2 2281328750 XYOBBSMJOGTNIG-LBPRGKRZSA-N 467.039 6.456 50 10 JKGE Clc1cc(CN2CCC(CCCCBr)CC2)ccc1I 2283199837 KZHICVMEZGBPEW-UHFFFAOYSA-N 470.620 5.722 50 10 JKGE Cc1ccc(C)c(OCCOc2c(Cl)cc(Cl)cc2C=C(C#N)C(=O)Nc2ccccc2)c1 2293641208 CIFPTEGIGGEOAA-UHFFFAOYSA-N 481.379 6.614 50 10 JKGE N#CC(=Cc1cn(-c2ccccc2)nc1-c1ccc(Cl)cc1)C(=O)Nc1ccc(Cl)cc1 2295323171 MGDJVRCVWWMNEO-UHFFFAOYSA-N 459.336 6.392 50 10 JKGE N#CC(C(=O)NCc1ccccc1)=C1S[C@H](Cc2ccc(Cl)cc2)C(=O)N1c1ccccc1 2296506767 DNTAOGUSSXZDSR-HSZRJFAPSA-N 473.985 5.083 50 10 JKGE N#CC(=Cc1cn(-c2ccccc2)nc1-c1cc2ccccc2o1)S(=O)(=O)c1ccccc1 2296718576 ZDHOYNSFUFSIEG-UHFFFAOYSA-N 451.507 5.624 50 10 JKGE Cc1cccn2c(=O)c(C=C(C#N)c3nc4ccccc4n3C)c(Oc3ccc(Cl)cc3)nc12 2296721802 YTWCYDFHTBQWPK-UHFFFAOYSA-N 467.916 5.400 50 10 JKGE COc1cc(C=C(C#N)c2nc(-c3ccccc3)cs2)ccc1OCC(=O)c1ccc(Cl)cc1 2296790046 KWIVTKIKFXVHSB-UHFFFAOYSA-N 486.980 6.798 50 10 JKGE Brc1cc(OCc2ccccc2)ccc1[C@@H](Br)CC1CCCCC1 2299494547 IFEVPDIRDJBLTO-FQEVSTJZSA-N 452.230 7.435 50 10 JKGE N#CC(=Cc1ccc(-c2cc([N+](=O)[O-])ccc2Cl)o1)C(=O)Nc1cccc(Cl)c1Cl 2313570825 GXIUCPFPBOEALA-UHFFFAOYSA-N 462.676 6.361 50 10 JKGE Cc1c(Cl)cccc1NC(=O)C(C#N)=Cc1ccccc1OCc1ccc(Cl)cc1Cl 2313667187 GMIJZSYAQRBZOK-UHFFFAOYSA-N 471.771 7.080 50 10 JKGE CCOc1cc(C=C2C(=O)N([C@@H](C)CC)C(=O)C(C#N)=C2C)ccc1OCc1ccc(F)cc1 2314610408 HVHDGUBVDQZCCB-KRWDZBQOSA-N 462.521 5.194 50 10 JKGE COc1cc(C=C2C(=O)N([C@@H](C)c3ccccc3)C(=O)C(C#N)=C2C)ccc1OCc1ccccc1F 2314618710 SFFGMRPFSPWWLN-FQEVSTJZSA-N 496.538 5.767 50 10 JKGE CCCCOc1ccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)C=Cc4ccc(OC)cc4)ccc32)cc1 2314634036 FCXPMQNSOZFGLN-LJAQVGFWSA-N 496.563 5.711 50 10 JKGE CCCOc1ccc(C=C(C#N)C(=O)Oc2ccc(C(=O)Nc3ccc(C)cc3C)cc2)cc1 2314737772 REDBOVAWJRJZSM-UHFFFAOYSA-N 454.526 5.857 50 10 JKGE CCC(CC)([C@@H](Br)c1sc(Cl)cc1I)C(F)(F)F 2316775878 WVSRPHSSBXSKGN-VIFPVBQESA-N 475.539 6.811 50 10 JKGE O=C(c1cc(F)c(Br)cc1O)N(Cc1ccccc1)[C@@H](CBr)C1CC1 2317269034 YJWZKJLWTNJRKY-KRWDZBQOSA-N 471.164 5.110 50 10 JKGE Cc1cc(Br)c(F)c(Br)c1[C@H](Br)CCC(F)(F)F 2317394973 DEMYEGWMFTWDPB-ZCFIWIBFSA-N 456.897 6.438 50 10 JKGE Cc1cc(Br)c(F)c(Br)c1[C@H](Cl)c1cscc1Br 2317397853 AAPRNLCCBFWTLC-LLVKDONJSA-N 477.418 6.811 50 10 JKGE COc1ccc(C(C#N)=Cc2ccc(OC(=O)c3ccccc3Br)cc2)cc1OC 2318356242 DGKUEEAOCDTSIG-UHFFFAOYSA-N 464.315 5.750 50 10 JKGE C[C@@H]1CCCN(Cc2ccc(I)c(Br)c2)[C@@H]1CBr 2325206168 BUQPCJKMZOEOOD-QMTHXVAHSA-N 487.017 5.049 50 10 JKGE COCCOc1ccc(C=C(C#N)C(=O)Nc2cc(C(F)(F)F)cc(C(F)(F)F)c2)cc1 2331122587 HSKLQDUUDISUMK-UHFFFAOYSA-N 458.358 5.295 50 10 JKGE COc1cccc(OC)c1C(O)=C(C#N)c1nc(-c2cc(Cl)c(OC)c(Cl)c2)cs1 2331396481 FBRNJICHGMJUKN-UHFFFAOYSA-N 463.342 6.093 50 10 JKGE COc1cc(C=C(C#N)c2nc(-c3cc(C)ccc3C)cs2)ccc1OCCN1CCOCC1 2331445683 ZUGDOPPLTRUFTB-UHFFFAOYSA-N 475.614 5.211 50 10 JKGE CC12CC([C@@H](Br)c3ccc(OCc4ccccc4)cc3Br)(C1)C(C)(C)O2 2336040651 HQFUDDMRZIFZHL-KPQWGBOZSA-N 480.240 6.812 50 10 JKGE COc1ccc(C)cc1[C@@H](Br)c1ccc(OCc2ccccc2)cc1Br 2336050680 MFLUXUIXFIDCFC-QFIPXVFZSA-N 476.208 6.829 50 10 JKGE CC1(C)COC[C@@H]1[C@@H](Br)c1c(Cl)cc(Br)c(F)c1Br 2337097933 ODVMVWPPXLLVDB-LHLIQPBNSA-N 479.409 6.113 50 10 JKGE COc1ccc(C[C@H](Cl)c2sc(Cl)cc2I)c(Br)c1 2338830475 BQQAWSCLCSNEJB-JTQLQIEISA-N 492.003 6.300 50 10 JKGE Cc1cc(F)c([C@@H](Br)c2c(Br)c(Br)nn2C)cc1C 2338859101 BZEINEOGPTYFCM-SNVBAGLBSA-N 454.963 5.185 50 10 JKGE COc1c(Br)cc(C)c([C@@H](Cl)c2cnsc2Br)c1Br 2339649950 AHDMEFTVWQVODJ-JTQLQIEISA-N 490.442 6.076 50 10 JKGE Cc1cc(Br)c(F)c(Br)c1[C@H](Cl)c1cccc(Br)c1 2339681519 JCADHWBQFWDBNH-CYBMUJFWSA-N 471.389 6.750 50 10 JKGE Fc1c(Br)cc(Cl)c([C@H](Br)[C@]23CCC[C@H]2OCC3)c1Br 2362225130 UOSSNQNQBBLELZ-IIMNLJJBSA-N 491.420 6.399 50 10 JKGE Cc1c([C@@H](Cl)Cc2cc(Br)cc(Br)c2)ccc(Cl)c1Cl 2364540687 GKXGQQWVEVCYFL-AWEZNQCLSA-N 457.420 7.349 50 10 JKGE Cc1cc(Br)c(F)c(Br)c1[C@@H](Br)CC(C)(C)C(F)(F)F 2365187496 AWGVIHNZTAHWDZ-QMMMGPOBSA-N 484.951 7.074 50 10 JKGE Fc1cc(F)c([C@H](Cl)c2ccc(Cl)cc2I)c(F)c1Br 2365594850 CMXDYUSRWORBCF-GFCCVEGCSA-N 495.891 6.453 50 10 JKGE CC(C)(C)[C@@H]1CC[C@H]1CO[C@H](CI)c1ccccc1Br 2369176498 VEDUBVLUOZHXRM-JGGQBBKZSA-N 451.186 6.014 50 10 JKGE COc1ccc(CBr)cc1OCc1cc(I)ccc1Cl 2380452950 MYKYEMQLQFCTLV-UHFFFAOYSA-N 467.528 5.427 50 10 JKGE O=C(N/N=C/c1c(OC(=O)c2ccc(Cl)cc2)ccc2ccccc12)c1cccc(Cl)c1 2529560 AJYZRFYUQAJONV-RWPZCVJISA-N 463.320 6.130 50 10 JKGE N#CC1=C2SCN(c3cccc(Cl)c3)CN2C(=O)C[C@H]1c1ccc(Br)cc1 9693404 ZUHWPFVHXGWZHQ-KRWDZBQOSA-N 460.784 5.322 50 10 JKGE Cc1cc(OCC(=O)NNC(=O)C(c2ccccc2)c2ccccc2)c(C(C)C)cc1Br 12490280 ZHGCXZWNYHIFMT-UHFFFAOYSA-N 495.417 5.239 50 10 JKGE CC(C)(C)c1ccc(C(=O)Nc2ccc(C(=O)N/N=C/c3cccc(Cl)c3Cl)cc2)cc1 12491823 TVYQLMQZRWUIDB-RWPZCVJISA-N 468.384 6.307 50 10 JKGE Cc1ccccc1C(=O)Nc1ccc(C(=O)NNC(=O)N2c3ccccc3Sc3ccccc32)cc1 13988872 NJMDOWGIUVGMHT-UHFFFAOYSA-N 494.576 5.905 50 10 JKGE COc1ccc(/C=C(/C#N)C(=O)N2N=C3/C(=C\c4ccccc4)CCC[C@H]3[C@H]2c2ccccc2)cc1 33752229 WBSOGOCKXCLARZ-VPECSQPMSA-N 473.576 6.425 50 10 JKGE CCCCN1C(=O)C(C#N)=C(C)/C(=C\c2ccc(OCc3ccc(C)cc3)c(OCC)c2)C1=O 38603724 JXTZTGBMIIUBGP-HZHRSRAPSA-N 458.558 5.365 50 10 JKGE Cc1cc(C)c2c(CC(=O)N/N=C3\CCCc4oc(C(=O)Oc5ccc(F)cc5)c(C)c43)coc2c1 40827053 CVBRJTORWXEJJF-MWAVMZGNSA-N 488.515 5.709 50 10 JKGE CCc1ccc(-c2csc(NC(=O)/C(C#N)=C/c3ccc(Cl)cc3)c2C(=O)OC)cc1 40939430 REMVIDUFWTTXLN-LDADJPATSA-N 450.947 5.963 50 10 JKGE CCCCCOc1ccccc1C(=O)N/N=C1/C(=O)N(Cc2ccccc2Cl)c2ccccc21 59148672 SUMWNJNREZQGKN-XLVZBRSZSA-N 475.976 5.590 50 10 JKGE C[C@@H]1COc2ccc([C@@H](Br)c3cccc(I)c3)cc2OC1 70511250 PTLDCYXZPITBFQ-DIFFPNOSSA-N 459.121 5.183 50 10 JKGE CCCCCCCOc1ccc(C(=O)NNC(=O)c2ccc(NC(=O)CC(C)C)cc2)cc1 100153759 ZLVQTCNJGVMNCN-UHFFFAOYSA-N 453.583 5.095 50 10 JKGE CC1=C(C#N)C(=O)N(C(C)C)C(=O)/C1=C/c1cn(-c2ccccc2)nc1-c1ccc(OCC(C)C)cc1 101333771 OOMFVNNKANCXFN-CVKSISIWSA-N 494.595 5.575 50 10 JKGE CC[C@@H](C)N1C(=O)C(C#N)=C(C)/C(=C\c2cn(-c3ccccc3)nc2-c2ccc(C)cc2)C1=O 101334141 YKDWGSPCCGZFFI-IERINAHZSA-N 450.542 5.239 50 10 JKGE CCCCCCCCCCCCCCCCNc1ncnc(NNC(=O)c2ccco2)c1[N+](=O)[O-] 101479343 VANALJACFOPTGC-UHFFFAOYSA-N 488.633 6.628 50 10 JKGE CCCCOC(=O)c1cccc(NC(=O)[C@@H](Br)[C@@H](Br)c2ccccc2)c1 101643404 KXBBTKZCHSLLKG-ROUUACIJSA-N 483.200 5.482 50 10 JKGE COc1ccc(/C=C(/C#N)c2nc(-c3ccccc3)c(NC(=O)c3ccc(C)cc3)s2)cc1 103802547 VHZOAEKNPKEMHO-JWGURIENSA-N 451.551 6.444 50 10 JKGE COc1ccc([C@H](Br)c2cc(F)ccc2Br)cc1Br 109833852 HRZCQNMQFPXQQH-AWEZNQCLSA-N 452.943 5.844 50 10 JKGE CC(C)(C)c1ccc([C@H](Br)c2cc(Br)ccc2Br)cc1 109844704 NIEWHJWEMLXNFU-INIZCTEOSA-N 461.035 6.993 50 10 JKGE O=C(NC1CCCCC1)[C@H](c1cccs1)N(C(=O)CCl)c1cccc(C(F)(F)F)c1 117428923 OHJRBNKZNOVTRL-IBGZPJMESA-N 458.933 5.529 50 10 JKGE Cc1ccc(Br)c([C@@H](Cl)c2cc(Br)ccc2Br)c1 161276998 QIBYZCUZWRAACL-CQSZACIVSA-N 453.399 6.611 50 10 JKGE CCCCCCCCCCCCCCCCCC(=O)N/N=C/c1cc(OC)ccc1Br 198742544 TWOSUVJIXQHNMY-XAYXJRQQSA-N 495.546 8.169 50 10 JKGE FC(F)(F)C(O[C@H](CI)c1ccccc1Br)C(F)(F)F 226034055 QABOEJGRUCPUEW-MRVPVSSYSA-N 476.980 5.435 50 10 JKGE CC[C@@]1(C)[C@@H](Oc2c(Br)cc([N+](=O)[O-])cc2Br)C[C@H]1Br 227241663 MWGXRZSBFNWXGO-NTZNESFSSA-N 471.971 5.451 50 10 JKGE CC(C)(CCCBr)CNC(=O)c1ccc(Br)cc1Br 227924397 ZAVRAIJLJMDSDF-UHFFFAOYSA-N 456.016 5.143 50 10 JKGE Fc1ccc(Br)c(F)c1COc1ccc(CBr)cc1Br 230316581 BIEDUKORUOWBKL-UHFFFAOYSA-N 470.933 5.964 50 10 JKGE COc1ccc([C@@H](Br)c2cccc(Br)c2F)cc1Br 234982860 SQOOXJQWPSNQRB-CYBMUJFWSA-N 452.943 5.844 50 10 JKGE Clc1ccc([C@@H](Cl)c2cc(Br)c(Br)s2)c(Br)c1 236029981 XXWDUOULGWDJTA-SNVBAGLBSA-N 479.846 7.017 50 10 JKGE Fc1cc([C@@H](Cl)c2cc(Cl)ccc2I)c(F)cc1Br 236227629 VHTBOJUUCFUIPM-CYBMUJFWSA-N 477.901 6.314 50 10 JKGE O=C(NN=Cc1ccc(Sc2nc3ccc([N+](=O)[O-])cc3s2)o1)c1ccc(Cl)cc1Cl 252607669 HDUWWWIDVQYOJO-UHFFFAOYSA-N 493.353 6.019 50 10 JKGE O=C(COc1ccccc1-c1cnn(-c2ccccc2)c1)NN=Cc1cc2ccccc2nc1Cl 252642499 ZMFRCKHNEVKCOG-UHFFFAOYSA-N 481.943 5.270 50 10 JKGE Cc1ccc(-c2nnc(SCC(=O)NN=C/C(Cl)=C\c3ccccc3)n2C2CCCCC2)cc1 254593388 LUTUMTQZYDUOQP-FIGCKISGSA-N 494.064 6.233 50 10 JKGE COc1cc(C=NNC(=O)c2cc(-c3ccccc3)nc3ccccc23)ccc1OCc1ccccc1 254615065 QCGZPKLEOIKRBD-UHFFFAOYSA-N 487.559 6.253 50 10 JKGE CCN(Cc1ccccc1)c1ccc(C=NNC(=O)c2cc(-c3cccs3)nc3ccccc23)cc1 254753021 FDLAUCHRHKXDOE-UHFFFAOYSA-N 490.632 6.754 50 10 JKGE Cl[C@H](c1csc(Br)c1)c1cc(I)cc2c1OCC2 302515353 NUXNHNMHSCQZHC-GFCCVEGCSA-N 455.542 5.378 50 10 JKGE Brc1cc([C@H](Br)c2csc3c(Br)cccc23)co1 378924622 RFGJYTFOBVNDDY-LBPRGKRZSA-N 450.977 6.504 50 10 JKGE Cn1ncc([C@@H](Br)c2cc(Br)sc2Br)c1Br 379217537 QXDYXVPJRJWLJG-ZETCQYMHSA-N 493.844 5.253 50 10 JKGE COc1cc(Br)ccc1[C@@H]1CN(Cc2ccccc2)C[C@H]1CI 382696883 LFCBQUABRKRPOC-CRAIPNDOSA-N 486.191 5.108 50 10 JKGE COc1c(Br)cc(Cl)cc1[C@H](Br)c1cc(Br)oc1C 396587822 KYMZZNRMCSKKER-GFCCVEGCSA-N 473.386 6.259 50 10 JKGE CC(C)[C@@H](CN(C)Cc1ccccc1)n1c([C@@H](C)Cl)nc2cc(I)ccc21 397955090 BCCLJRXDOKPLAG-IIBYNOLFSA-N 495.836 6.270 50 10 JKGE Cn1cc(Br)c([C@@H](Br)c2cc(Br)ccc2Br)n1 693098208 AGHWFADWWUIPAW-JTQLQIEISA-N 487.815 5.192 50 10 JKGE C[C@@H](Br)c1c(I)ccc(OCc2ccccc2)c1[N+](=O)[O-] 694969515 LINGEMYDCAVGCK-SNVBAGLBSA-N 462.081 5.234 50 10 JKGE CCn1cc([C@@H](Cl)c2cc(Br)c(Br)s2)nc1Br 698497656 NONSSFDRLJFWGV-MRVPVSSYSA-N 463.420 5.580 50 10 JKGE C[C@@H](c1ccncc1)[C@@H](Br)c1ccc(I)c(Br)c1 721580157 TUEPWEKRTALZBU-LKFCYVNXSA-N 480.969 5.688 50 10 JKGE Fc1cc(Cl)c([C@@H](Br)c2cccc(F)c2I)cc1F 721691756 LVLGKOISVFQXHU-LBPRGKRZSA-N 461.446 5.846 50 10 JKGE COc1cc(/C=C\C(=O)Cl)cc(I)c1OCc1ccccc1Cl 1081475916 OYIREDGMIROVDD-SREVYHEPSA-N 463.098 5.311 50 10 JKGE COc1ccc(C(=O)NN=Cc2c(Br)c(C)n(-c3cc(C)cc(C)c3)c2C)cc1 1083964193 RKUNXSLYSXICGT-UHFFFAOYSA-N 454.368 5.246 50 10 JKGE Cc1cc(C)cc(CSCC(=O)NN=Cc2ccc(OCc3cccc4ccccc34)cc2)c1 1084464999 KCQRNEHJQIMXLM-UHFFFAOYSA-N 468.622 6.419 50 10 JKGE Cc1cc(/C=C(\C#N)C(=O)Nc2cccc(Cl)c2Cl)c(C)n1-c1ccc(Cl)cc1Cl 1084586940 KVNAIFQFDFMXLB-OQLLNIDSSA-N 479.194 7.253 50 10 JKGE COc1ccccc1NC(=O)c1oc2c(c1C)C(=NNC(=O)c1ccc(Br)cc1)CCC2 1772744381 WNCXPISKRKUYNL-UHFFFAOYSA-N 496.361 5.082 50 10 JKGE COc1ccc([C@H]2C(C#N)=C(N)Oc3c2c(-c2ccccc2)nn3Cc2cccc(Cl)c2)cc1O 1865682771 XGXXAPZFCZGORW-QHCPKHFHSA-N 484.943 5.184 50 10 JKGE CCc1nn(-c2ccc(Br)cc2)c2c1[C@H](c1ccccc1Cl)C(C#N)=C(N)O2 1865685301 HVRIAVKZHIAFHW-GOSISDBHSA-N 455.743 5.069 50 10 JKGE CCc1nn(Cc2ccccc2Cl)c2c1[C@H](c1ccc(OCc3ccccc3)cc1)C(C#N)=C(N)O2 1865690332 OTSIYQSLBSSYAK-AREMUKBSSA-N 496.998 5.944 50 10 JKGE CCCOc1ccccc1[C@H]1C(C#N)=C(N)Oc2c1c(CCC)nn2Cc1ccc(Cl)c(Cl)c1 1865703471 WEPXZSWVYVCUKA-QHCPKHFHSA-N 497.426 6.198 50 10 JKGE N#CC1=C(N)Oc2c(c(-c3ccccc3)nn2Cc2ccc(Cl)cc2)[C@H]1c1ccccc1C(=O)O 1865704521 XTZHBCQMILJZLH-QFIPXVFZSA-N 482.927 5.168 50 10 JKGE CCc1ccc(-c2ccc(C(=O)NNC(=O)COc3ccc(C)cc3C(C)(C)C)c(C)n2)cc1 1865758474 CCUBNDYEYJKQIU-UHFFFAOYSA-N 459.590 5.065 50 10 JKGE COCCc1nc(Nc2ccc(SC#N)cc2)cc(N(Cc2cccnc2)c2cccc(C)c2)n1 1868253087 BWJSLHDJIPQLGG-UHFFFAOYSA-N 482.613 6.024 50 10 JKGE COc1cccc(-c2csc(/C(C#N)=C(\O)[C@H](CC(C)C)N3C(=O)c4ccccc4C3=O)n2)c1 1872744405 QGQWXDFBKUWMBD-MBDQKHHZSA-N 473.554 5.322 50 10 JKGE CCc1cccc(C)c1N1C[C@H](/C(O)=C(\C#N)c2nc(-c3ccc(OC)c(C)c3)cs2)CC1=O 1872746725 VEAQDODJKCEOJQ-FLKYFCFGSA-N 473.598 5.844 50 10 JKGE CCCOc1ccc(-c2csc(/C(C#N)=C(\O)CCc3nc4ccccc4[nH]c3=O)n2)cc1 1872749994 RPXHZXAMNQYXDQ-NKFKGCMQSA-N 458.543 5.261 50 10 JKGE COc1ccc(C(C)(C)C)cc1-c1csc(/C(C#N)=C(\O)[C@H]2CC(=O)N(C(C)(C)C)C2)n1 1872751411 GXQUKYQNSBDRIH-YUCJCZDXSA-N 453.608 5.556 50 10 JKGE CCOc1ccc(-c2csc(/C(C#N)=C(\O)COc3cccc(C)c3C)n2)c(OCC)c1 1872755538 SBXKZXKQDBBNRY-XDOYNYLZSA-N 450.560 6.096 50 10 JKGE COc1c(Cl)cc(-c2csc(/C(C#N)=C(\O)CCCOc3ccccc3Cl)n2)cc1Cl 1872756393 YLRSFOFAVPALOT-RGEXLXHISA-N 495.815 7.431 50 10 JKGE COc1ccc(OCCC/C(O)=C(\C#N)c2nc(-c3cc(C)c(OC)cc3C)cs2)cc1 1872758399 YNKCTHAYJVCWLE-LNVKXUELSA-N 450.560 6.096 50 10 JKGE CCCOc1ccc(-c2csc(/C(C#N)=C/c3ccc(N(CC)CC)cc3)n2)cc1OCCC 1872790309 YXIQBQYDSPISOO-HAVVHWLPSA-N 475.658 7.298 50 10 JKGE CC(C)N1C(=O)c2ccc(/C(O)=C(\C#N)c3nc(-c4ccc(F)cc4F)cs3)cc2C1=O 1872818251 TZANAZBZVIIVFQ-JZJYNLBNSA-N 451.454 5.043 50 10 JKGE C[C@H]1OCC[C@H]1CCOc1c(Br)cc(Br)cc1CBr 1885696765 POXBSZHDCQTDSE-ZJUUUORDSA-N 457.000 5.300 50 10 JKGE COc1ccc(OC)c([C@H](Br)c2sc(Br)c(C)c2Br)c1 1922882209 GNQJQXLQTANOEZ-LBPRGKRZSA-N 485.035 6.083 50 10 JKGE Fc1ccc(Cl)cc1[C@@H](Cl)c1c(Br)sc(Br)c1Cl 1923038295 IQTFWLHDEQWAHS-MRVPVSSYSA-N 453.385 7.047 50 10 JKGE Clc1c(Br)sc(Br)c1[C@@H](Cl)c1csc(Br)c1 1923048769 IUJXBTFEKMXTSV-LURJTMIESA-N 485.875 7.079 50 10 JKGE Cl[C@H](Cc1ncccc1Br)c1scc(Br)c1Br 1924868477 BKUIQVQFKRIJHL-MRVPVSSYSA-N 460.416 5.953 50 10 JKGE Clc1csc([C@H](Br)c2c(Cl)sc(Br)c2Cl)c1Cl 1925555226 OGALUQGCUJIUME-SCSAIBSYSA-N 475.869 7.670 50 10 JKGE Clc1cc(Br)c([C@@H](Br)c2csc(I)c2)s1 1933590151 VYGXMYOQYXMVCY-QMMMGPOBSA-N 498.430 6.314 50 10 JKGE Brc1ccsc1[C@H](Br)c1c(Br)cccc1Br 1937828247 HGRPCMVPEFJPJD-SNVBAGLBSA-N 489.852 6.520 50 10 JKGE CC1(C)CO[C@@H]([C@H](Cl)c2c(Br)sc(Br)c2Br)C1 2001533160 KNDGPUSUVQDGBF-XRGYYRRGSA-N 467.448 6.131 50 10 JKGE Clc1c(Br)sc(Br)c1[C@H](Br)[C@H]1C[C@H]1C1CCC1 2022291805 PWUNKHLNAXPOTQ-ACLDMZEESA-N 463.460 6.799 50 10 JKGE CCc1nc([C@@H](Br)Cc2ccncc2Br)c(Br)s1 2050331529 OETUXMREAZAQAT-QMMMGPOBSA-N 455.013 5.304 50 10 JKGE Cc1cc(Br)c(CBr)c(Oc2cccc(I)c2)c1 2053202388 JJYZUVBQWDLJSU-UHFFFAOYSA-N 481.953 6.049 50 10 JKGE Cc1ccc([C@H](Br)c2ccc(Br)cc2Br)cc1Br 2083332966 DOKKDZQJVYICOG-AWEZNQCLSA-N 497.850 6.767 50 10 JKGE O=C(NC[C@@H]1CCC[C@@H](CBr)C1)c1csc(Br)c1Br 2093946566 CTSZTIRSBBEFKY-RKDXNWHRSA-N 474.056 5.204 50 10 JKGE Fc1ccccc1[C@@H](Br)CCc1cccc(Br)c1Br 2113380548 AIBQYGSLJCACDH-LBPRGKRZSA-N 450.971 6.420 50 10 JKGE Cc1cc(Br)c(C)c([C@H](Br)[C@@]23CCOC[C@@H]2C3)c1Br 2136383583 ZGXAKAMKOQBXHQ-NZVBXONLSA-N 453.012 5.691 50 10 JKGE FC(F)(F)C(F)(F)CC(CBr)(CBr)c1ccc(Br)cc1 2145881724 FHVXGCICLXNNMQ-UHFFFAOYSA-N 488.914 6.064 50 10 JKGE COc1ccc([C@@H](Br)c2cc(Br)c(C)cc2Br)cc1C 2150414324 DNTMGNSNJKUQCD-MRXNPFEDSA-N 463.007 6.321 50 10 JKGE Cc1cc(Br)c([C@@H](Br)[C@H]2CC3(CCCC3)CO2)cc1Br 2166267623 QPAUXNKYXGJHJY-HUUCEWRRSA-N 467.039 6.305 50 10 JKGE Clc1cccc(C[C@@H](CBr)Cc2cc(Br)ccc2Br)c1 2175147256 MHLQYJJLXCSPQL-GFCCVEGCSA-N 481.453 6.661 50 10 JKGE CCn1cc(Br)c([C@@H](Br)c2c(Br)cc(F)c(F)c2F)n1 2181186470 QFXXXKGPHVFQSX-VIFPVBQESA-N 476.916 5.330 50 10 JKGE COc1cc([C@H](Br)[C@H](C)c2ccncc2Br)ccc1Br 2192156067 NZASJIGXFKXELR-RFAUZJTJSA-N 463.995 5.855 50 10 JKGE CCOc1ccccc1[C@@H](Br)c1ccc(Br)c(C)c1Br 2203682619 AJXCHAIBMKCHCD-MRXNPFEDSA-N 463.007 6.403 50 10 JKGE Cc1ccc([C@H](Cl)c2cc(Br)c(Cl)s2)cc1I 2212993175 WBLUCRNHMRETRR-NSHDSACASA-N 461.977 6.405 50 10 JKGE Cc1cc(C)c([C@@H](Br)c2sc(Br)c(C)c2Br)s1 2213682270 QXOLWDYOFFQZAV-SECBINFHSA-N 459.066 6.744 50 10 JKGE Cc1cc(Br)c([C@H](Br)c2c(Cl)sc(Br)c2Cl)s1 2215947757 LSBVVQTYHCHFLZ-ZCFIWIBFSA-N 499.902 7.434 50 10 JKGE Fc1cc(F)c([C@H](Br)c2ccsc2Br)c(F)c1Br 2220511538 XSVSCKBBDYJHSB-MRVPVSSYSA-N 464.926 6.175 50 10 JKGE CC1(C)C[C@]1(Cl)[C@H](Br)c1c(Br)cc(Cl)c(Cl)c1Cl 2222049085 YVXFRQAWLQDOOL-PWSUYJOCSA-N 455.832 7.253 50 10 JKGE Cc1cc([C@H](Cl)c2cc(Br)c(Br)cc2F)ccc1Br 2225634972 SASIIBDYWYQIAH-AWEZNQCLSA-N 471.389 6.750 50 10 JKGE Cc1cc(Br)c([C@H](Br)C[C@@H](C)C(F)(F)F)c(C)c1Br 2227360118 PBBNRKWAIXVYOG-GMSGAONNSA-N 466.961 6.853 50 10 JKGE Cc1ccc([C@@H](Br)c2ccc(-c3cccs3)s2)cc1I 2232834796 MXNCFNFEKKMCPX-MRXNPFEDSA-N 475.214 6.874 50 10 JKGE Cc1cc(Br)c([C@@H](Br)C23CC(C)(C2)O[C@H]3C)c(C)c1Br 2235603966 DDQYDKUJVJJFSF-GEAAMTFESA-N 467.039 6.222 50 10 JKGE Cc1cc(Br)c([C@H](Br)CC[C@H]2CCCCO2)c(C)c1Br 2235605218 QQTPWFJKCYYIEB-CHWSQXEVSA-N 469.055 6.614 50 10 JKGE Cc1sc([C@H](Cl)c2cc(Cl)c(Cl)c(Cl)c2Cl)c(Br)c1C 2237629750 MODMOFVPRACFMP-SNVBAGLBSA-N 453.443 8.069 50 10 JKGE Cc1cc(Br)cc([C@@H](Br)c2sc(C)c(C)c2Br)c1 2253472522 BGBFQHUQJNASAP-CYBMUJFWSA-N 453.037 6.683 50 10 JKGE CCc1cc([C@H](Br)c2cn(CC)c(Br)n2)sc1Br 2256057383 MUSRVCGKDBUWDO-SNVBAGLBSA-N 457.029 5.536 50 10 JKGE CN(Cc1ccccc1I)c1cccc(Cl)c1CBr 2265545998 NFSFFTSRDULRQU-UHFFFAOYSA-N 450.545 5.476 50 10 JKGE COc1ccc([C@@H](Cl)c2c(F)cccc2I)cc1Br 2267742005 VAKYLDYDGBNNLB-CQSZACIVSA-N 455.492 5.530 50 10 JKGE CC1(C)CCCC[C@@H]1[C@@H](Br)Cc1cc(Br)cc(Br)c1 2277962424 HLKXVAHVSVQNSL-CABCVRRESA-N 453.056 6.734 50 10 JKGE COc1ccc([C@@H](Cl)c2c(F)cccc2I)c(Br)c1Cl 2283562181 OENFWKCKMIOJLO-CYBMUJFWSA-N 489.937 6.183 50 10 JKGE COc1ccc([C@@H](Br)[C@]2(C)CCCC(F)(F)C2)cc1I 2285005082 VFXBYCCTZFVHJZ-ZIAGYGMSSA-N 459.112 5.951 50 10 JKGE CC(C)(C)OC(=O)NCC[S@](=O)(=NCCCCCCCBr)c1ccccc1 2294701839 XPKYMJUDBZDOBX-HHHXNRCGSA-N 461.466 5.384 50 10 JKGE COC(=O)c1cc(OC)c(OC)cc1NC=C(C#N)c1nc(-c2ccc(Cl)c(Cl)c2)cs1 2295948637 ZXNGCZPWLVBXSE-UHFFFAOYSA-N 490.368 5.897 50 10 JKGE COc1cccc(C[C@H]2SC(=C(C#N)C(=O)Nc3ccccc3C)N(c3ccccc3C)C2=O)c1 2296506863 IPMNLBLVAJQTIB-RUZDIDTESA-N 483.593 5.377 50 10 JKGE C[C@@H]1C[C@H](C[C@H](Br)c2ccc(OCc3ccccc3)cc2Br)CO1 2299490294 XOMFOCXLATXOPR-OGWOLHLISA-N 454.202 6.279 50 10 JKGE FC1(F)CC[C@@H]([C@H](Br)c2ccc(OCc3ccccc3)cc2Br)C1 2299496943 PJNGXNLUYRFAGU-KDOFPFPSSA-N 460.156 6.900 50 10 JKGE Cc1cc([C@@H](Cl)c2ccc(OCc3ccccc3)cc2Br)sc1Br 2299501470 OLJBWYUVMQYAFV-SFHVURJKSA-N 486.656 7.489 50 10 JKGE CCCN[C@H](c1ccc(OCc2ccccc2)cc1Br)[C@@H]1C[C@@H]1Br 2299501988 SPAPRELQJCYPSA-YZGWKJHDSA-N 453.218 5.852 50 10 JKGE Brc1ccc(OCc2ccccc2)c([C@H](Br)[C@H]2C[C@]23CCOC3)c1 2299504902 RDRWHESJHJBAAE-HOJAQTOUSA-N 452.186 5.891 50 10 JKGE Cc1ccc([C@@H](Cl)c2sc(Cl)cc2I)cc1Br 2300954785 BZHDPFKDXAFEJS-LLVKDONJSA-N 461.977 6.405 50 10 JKGE FC(F)(F)[C@H]1CCc2c(OCc3ccccc3)ccc(Br)c2[C@H](Br)C1 2314484167 MYEABFWBVBNJSH-XJKSGUPXSA-N 478.146 6.979 50 10 JKGE N#CC(=Cc1ccc(-c2ccc([N+](=O)[O-])cc2)o1)c1nc(O)c2cc(Br)ccc2n1 2314490188 YLLRRZVAXKWFJO-UHFFFAOYSA-N 463.247 5.330 50 10 JKGE Cc1ccc(N2C(=O)[C@H](Cc3ccc(F)cc3)SC2=C(C#N)C(=O)Nc2ccccc2)cc1C 2314592460 UKYKFSHVISSTNU-DEOSSOPVSA-N 471.557 5.508 50 10 JKGE CCCCCCCOc1ccc(C=C2C(=O)N(Cc3ccc(C)cc3)C(=O)C(C#N)=C2C)cc1 2314616610 FQSBPXRUMRTEEJ-UHFFFAOYSA-N 456.586 6.137 50 10 JKGE Cc1cc([C@@H](Br)c2sc(Cl)cc2I)c(F)cc1F 2316769504 JGKQRYNLLXBBRP-LLVKDONJSA-N 463.512 6.077 50 10 JKGE CCOc1cc(C=NNC(=O)c2cccc(N)c2)ccc1OCc1c(Cl)cccc1Cl 2323211527 MUIYSNHXKGLDLJ-UHFFFAOYSA-N 458.345 5.317 50 10 JKGE CCOc1ccc(C)cc1[C@@H](C)NC(=O)C(C#N)=CN(Cc1ccccc1)Cc1ccccc1 2325072441 ACIOXSMAVHIJRD-HSZRJFAPSA-N 453.586 5.681 50 10 JKGE C[C@@H](CCCCCBr)NCc1ccc(I)c(Br)c1 2325203905 JZOTYRCCJTXLDX-NSHDSACASA-N 489.033 5.487 50 10 JKGE C[C@H](Oc1ccc(Cl)cc1)C(O)=C(C#N)c1nc(-c2ccc(Cl)cc2Cl)cs1 2331251212 JLEDJSLMEQNSIK-NSHDSACASA-N 451.762 7.030 50 10 JKGE Cc1cc(OCCCC(O)=C(C#N)c2nc(-c3ccc(Cl)cc3Cl)cs2)cc(C)c1Cl 2331254776 YOAIFKNVUBUDCU-UHFFFAOYSA-N 493.843 8.039 50 10 JKGE COc1ccc(C=C(C(O)=C(C#N)c2nc(-c3ccccc3)cs2)c2ccccc2)cc1OC 2331304061 KTZHAQVZRYNJGU-UHFFFAOYSA-N 466.562 6.861 50 10 JKGE N#CC(=C(O)COc1ccc(Cl)cc1Cl)c1nc(-c2ccc(Cl)c(Cl)c2)cs1 2331311633 HOECBDCCGHVTDE-UHFFFAOYSA-N 472.180 7.295 50 10 JKGE CCCCc1ccc(-c2csc(C(C#N)=Cc3ccc(OCc4ccc(Cl)cc4)cc3)n2)cc1 2331429365 RMFLPZXJEMZNBK-UHFFFAOYSA-N 485.052 8.449 50 10 JKGE Cc1cc(Br)c(C)c([C@@H](Br)[C@H]2[C@H]3COCC[C@H]32)c1Br 2332925952 VATQIABZAOBZIY-YJKIEOBBSA-N 453.012 5.547 50 10 JKGE Fc1cc(Cl)cc([C@@H](Cl)c2cc(Br)ccc2OCc2ccccc2)c1F 2336085719 GCGKJMXPSLPYLH-IBGZPJMESA-N 458.129 7.288 50 10 JKGE Fc1c(Br)cc(Cl)c([C@H](Br)C[C@@H]2CC[C@@H]3C[C@@H]23)c1Br 2337081622 ABDMEUPXMVVBSR-BZNPZCIMSA-N 475.421 6.876 50 10 JKGE COc1c(Br)cc(C)c([C@@H](Br)[C@]23C[C@H](CO2)C3)c1Br 2339679461 LWHTUSAHHUYLPW-WZYXQFPFSA-N 454.984 5.144 50 10 JKGE Clc1ccc(CN[C@H](CBr)C2CCCCC2)c(I)c1 2341060670 YDZCVVMQJPHFHE-OAHLLOKOSA-N 456.593 5.378 50 10 JKGE CC(C)(C)Oc1ccc([C@@H](Br)C2CC(Br)C2)cc1Br 2353076637 PNTFZVGDMYZBPG-QIMFLAQGSA-N 455.028 6.236 50 10 JKGE Cc1ccc(Cl)cc1[C@H](Br)c1c(F)cc(Cl)c(Br)c1Cl 2360493841 SALGSSROUFAJRR-LBPRGKRZSA-N 461.383 7.341 50 10 JKGE Fc1ccccc1[C@@H](CBr)OCc1cc(Br)cc(Br)c1 2362237574 GDDMZZJAJMLKKZ-OAHLLOKOSA-N 466.970 6.004 50 10 JKGE CS(=O)(=O)[C@H]1C[C@H]([C@H](Cl)c2c(Cl)cc(Br)c(F)c2Br)C1 2362241682 ZDAUPLQFJUMATL-BVMVBECYSA-N 468.997 5.107 50 10 JKGE CCCCCC1CCC([C@@H](Br)c2sc(Cl)cc2I)CC1 2364127110 MIJWUZDSTCWBTH-KOHJWAIASA-N 489.688 7.829 50 10 JKGE COc1c(Br)cc(C)c([C@@H](Br)[C@H]2COCC2(C)C)c1Br 2365195369 AYXFFXIXBROGHI-SKDRFNHKSA-N 471.027 5.637 50 10 JKGE COc1cc(Cl)c(CBr)c(N2C[C@H](C)N(Cc3ccccc3)[C@H](C)[C@@H]2C)c1 2365814664 GFQNNKDVUMLIFW-BBWFWOEESA-N 451.836 5.731 50 10 JKGE COc1cc(Cl)c(CBr)c(N2CCCN(Cc3ccccc3)C(C)(C)C2)c1 2365816011 ONIMOGWSXCWTKG-UHFFFAOYSA-N 451.836 5.734 50 10 JKGE Cc1cc(Br)c(C)c([C@@H](Br)[C@]23C[C@H](C[C@@H](C)O2)C3)c1Br 2368714833 WMZDTIXMRHZYIT-MEHYJIPSSA-N 467.039 6.222 50 10 JKGE O=C(c1scc(Br)c1Cl)N1CCC[C@H](Br)[C@H]1C(F)(F)F 2370254637 NTVWBYKKRCYDCA-CDUCUWFYSA-N 455.521 5.094 50 10 JKGE CC(C)(C)Oc1ccc([C@H](Br)c2ccoc2Br)cc1Br 2381321240 DZPQVYOYCJKUCL-ZDUSSCGKSA-N 466.995 6.466 50 10 JKGE N#C/C(C(=O)Nc1ccccc1Cl)=C1\S[C@H](Cc2ccc(Cl)cc2)C(=O)N1c1ccccc1 2329025 OSTOWPRTILEEHY-UDXHRHDRSA-N 494.403 6.058 50 10 JKGE O=C(N/N=C/c1ccc(Cl)cc1Cl)c1ccc(N2C(=O)CS[C@@H]2c2ccccc2)cc1 3657371 UVPSXQBCBDUQBT-NSZYMRRGSA-N 470.381 5.536 50 10 JKGE CCSc1sccc1[C@H]1C(C#N)=C(N)N(c2ccc(Cl)c(Cl)c2)C2=C1C(=O)CCC2 9981381 GWVCKDNHCIOSQO-IBGZPJMESA-N 476.454 6.472 50 10 JKGE CCCCCCOc1ccc(C(=O)NNC(=O)[C@H](C)Oc2ccc(C)c(C)c2)cc1Br 10153087 VHTNIZLNEODULX-SFHVURJKSA-N 491.426 5.254 50 10 JKGE COc1ccc(/C(C#N)=C\c2ccc(OC(=O)CCc3ccc(OC)c(OC)c3)c(OC)c2)cc1 31902287 KSWZVBUXTAIXIT-JCMHNJIXSA-N 473.525 5.323 50 10 JKGE N#C/C(=C/c1ccc(Br)cc1)c1nc(-c2cc3cc([N+](=O)[O-])ccc3oc2=O)cs1 33398870 NVTVGEPJJIHWDX-AUWJEWJLSA-N 480.299 5.651 50 10 JKGE O=C(N/N=C\c1ccc(N2N=C(c3ccccc3)C[C@@H]2c2cccc3ccccc23)cc1)c1ccncc1 33399418 KFOBGESELLTWPC-KMOQAGLRSA-N 495.586 6.354 50 10 JKGE N#C/C(C(=O)Nc1ccc(Cl)c(Cl)c1)=C1\S[C@@H](Cc2ccccc2)C(=O)N1c1ccccc1 33558148 IKPPZFFCVXKFPV-ZUGOUDHMSA-N 494.403 6.058 50 10 JKGE C=CCOc1ccc(C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@@H]3c2ccccc2OCC)cc1 38650511 JHWSCKKHXMJDDX-AREMUKBSSA-N 468.509 5.087 50 10 JKGE CCc1ccc(OCC(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@@H]3c2ccc(Cl)cc2)cc1 38651407 OACJASYNTNJMIB-RUZDIDTESA-N 460.917 5.105 50 10 JKGE CCOc1ccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4ccc(C)cc4)ccc32)cc1OCC 38678990 IUHZTQFSWOOUTM-SANMLTNESA-N 470.525 5.230 50 10 JKGE CCCOc1ccccc1[C@@H]1C(C#N)=C(N)Oc2cc(OC(=O)[C@H](C)Oc3ccc(CC)cc3)ccc21 38681807 ILRGZLIDJASHOS-VKGTZQKMSA-N 498.579 5.629 50 10 JKGE CCCCOc1cccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4cccc([N+](=O)[O-])c4)ccc32)c1 38685262 RDYQYVBUEULPAH-VWLOTQADSA-N 485.496 5.211 50 10 JKGE Cc1ccc2oc(C(=O)Oc3ccc4c(c3)OC(N)=C(C#N)[C@@H]4c3ccc(C(C)C)cc3)c(C)c2c1 38687118 AINSLYWCEXPIGN-HHHXNRCGSA-N 478.548 6.610 50 10 JKGE CCOc1ccc(NC(=O)/C(C#N)=C/c2ccc(OCc3ccc(F)cc3)c(OCC)c2)cc1 40006652 POHBALMBSLIBKR-RCCKNPSSSA-N 460.505 5.748 50 10 JKGE COc1ccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4oc5c(C)c(C)ccc5c4C)ccc32)cc1 40530343 AGJUOTCTGRWPJP-VWLOTQADSA-N 480.520 5.804 50 10 JKGE Cc1c(C(=O)Nc2ccc(Cl)c(Cl)c2)oc2c1/C(=N/NC(=O)c1ccc(O)cc1)CCC2 40812044 YSKIBKRCTGJLHG-OVVQPSECSA-N 472.328 5.323 50 10 JKGE CCCCCCOc1ccc(/C=C(\C#N)C(=O)Nc2ccc(C(=O)OCCCCC)cc2)cc1OC 40853172 IVYTYDPDEDQBAJ-LYBHJNIJSA-N 492.616 6.547 50 10 JKGE CC(C)(C)SCC(=O)N/N=C1/C(=O)N(C(c2ccccc2)c2ccccc2)c2ccccc21 59158682 QLIUCJKQFHHFBX-RMLRFSFXSA-N 457.599 5.175 50 10 JKGE Cc1ccc(C(C)C)c(OCCn2cc(/C=C(/C#N)C(=O)Nc3ccc(F)cc3)c3ccccc32)c1 96577139 ADMCABBKMYDYGK-XLNRJJMWSA-N 481.571 6.837 50 10 JKGE Cc1ccc(Cl)cc1NC(=O)/C(C#N)=C\c1cn(Cc2ccc([N+](=O)[O-])cc2)c2ccccc12 96840540 DANRFVVLRNBCBF-UNOMPAQXSA-N 470.916 6.105 50 10 JKGE CCCCN(C(=O)CCl)[C@@H](C(=O)NC1CCCCCC1)c1ccc(OCCC)c(OC)c1 97914969 CCNKGCUBNNDALS-XMMPIXPASA-N 467.050 5.232 50 10 JKGE N#C/C(=C(/O)[C@H]1CCC(=O)N1C(=O)c1ccc(Cl)cc1)c1nc2cc(C(F)(F)F)ccc2s1 101017921 VFXFIAALJVKTHL-BAACNHRGSA-N 491.878 5.593 50 10 JKGE CCCCCCCOc1ccc(/C=C2/C(=O)N(Cc3ccc(F)cc3)C(=O)C(C#N)=C2C)cc1 101340625 BTHJPPKDTZBVFR-KOEQRZSOSA-N 460.549 5.967 50 10 JKGE N#C/C(=C/c1cn(CCCOc2ccccc2)c2ccccc12)C(=O)Nc1nc2ccccc2s1 102443673 CGHALPWPKIVQRU-JZJYNLBNSA-N 478.577 6.266 50 10 JKGE CCOc1ccc(Br)cc1[C@@H](Cl)c1cccc(I)c1 109827282 LLEKUSBPZCOLQP-HNNXBMFYSA-N 451.529 5.781 50 10 JKGE COc1ccc(Br)cc1[C@@H](Br)c1cccc(F)c1Br 156089652 DSKZFTKZPQQVBN-ZDUSSCGKSA-N 452.943 5.844 50 10 JKGE Cc1ccc(/C=C\C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@H]3c2cccc(OCCC(C)C)c2)cc1 205659155 OINBNXRUGNHYJT-CRJGUEGBSA-N 494.591 6.257 50 10 JKGE Cc1cc(I)ccc1NC(=O)/C(C#N)=C\Nc1ccc(N2CCCCC2)cc1 217254119 YMEYWRGRCZINCZ-ICFOKQHNSA-N 486.357 5.048 50 10 JKGE COc1ccc([C@@H](Cl)c2cc(I)ccc2Br)c(F)c1 234979557 MGBRCTUZVLPYLX-CQSZACIVSA-N 455.492 5.530 50 10 JKGE C[C@@H]1Cc2cc([C@@H](Cl)c3cc(I)ccc3Br)ccc2O1 235408712 DNHFAOYCDVFGPM-JDNHERCYSA-N 463.540 5.705 50 10 JKGE Clc1ccc(Br)c([C@H](Br)Cc2ccc(Br)cc2)c1 236051359 RRPAMFBNXUXPFS-CQSZACIVSA-N 453.399 6.544 50 10 JKGE Clc1ccc([C@H](Br)Cc2ccc(Br)cc2)c(Br)c1 236065608 IVLBEEBHYMSOKH-CYBMUJFWSA-N 453.399 6.544 50 10 JKGE CCCCOc1ccc(C=NNC(=O)c2cc(-c3ccc(OCC)cc3)nc3ccccc23)cc1 252607323 HAKJTQQXROPURA-UHFFFAOYSA-N 467.569 6.243 50 10 JKGE O=C(COc1ccc(Cl)cc1)NN=Cc1cn(Cc2c(F)cccc2Cl)nc1-c1ccccc1 252630042 UTFVALYBFFZADV-UHFFFAOYSA-N 497.357 5.573 50 10 JKGE O=C(NN=Cc1ccc(N2N=C(/C=C/c3ccccc3)C[C@@H]2c2ccccc2)cc1)c1ccc(F)cc1 254380379 OCOSQSRNZUSUKT-YSRFABFXSA-N 488.566 6.610 50 10 JKGE C=CCc1cccc(C=NNC(=O)CCn2cnc(-c3ccccc3)c2-c2ccccc2)c1O 254475544 QOPARXOWRAPWDQ-UHFFFAOYSA-N 450.542 5.192 50 10 JKGE COc1cc(C=NNC(=O)c2cc(-c3ccccc3O)nc3ccccc23)ccc1OC(C)C 254825959 AYHLNCWNLFYQQO-UHFFFAOYSA-N 455.514 5.167 50 10 JKGE Clc1ccc(Br)c(C[C@@H](CBr)c2ccc(Br)cc2)c1 388743905 LOPAGGXUHHSOGU-LBPRGKRZSA-N 467.426 6.586 50 10 JKGE C[C@H]1CN(Cc2ccccc2)C[C@@H]1n1c(CCCl)nc2cc(I)c(F)cc21 389874388 SEHRQXSLPZAYAF-XOBRGWDASA-N 497.783 5.254 50 10 JKGE C[C@H](Br)CC(C)(C)CNC(=O)c1cc(Br)c(Br)s1 393563578 LDANLQVTDIORNA-ZETCQYMHSA-N 462.045 5.203 50 10 JKGE Clc1cc([C@@H](Br)c2ccc(Br)s2)c(Cl)c(Cl)c1Cl 405037097 XKDQOKKCUPTNHK-MRVPVSSYSA-N 469.840 7.609 50 10 JKGE 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 504147774 BYOULNBXJIWWLD-ALTLCZKNSA-N 458.602 5.951 50 10 JKGE Fc1cc(Br)c(Cl)cc1[C@H](Br)c1ncsc1Br 698628093 YGTRPGUZPCRGEQ-QMMMGPOBSA-N 464.379 5.945 50 10 JKGE Clc1cccc(C[C@H](CBr)Cc2ccc(Br)cc2)c1Br 719422706 QRJXCXFNAQMFGP-GFCCVEGCSA-N 481.453 6.661 50 10 JKGE O=C(OCc1ccccc1)N1C[C@@H](CBr)[C@@H](c2cc(C(F)(F)F)ccc2Cl)C1 725387381 LZTPJKPVMDETAJ-PBHICJAKSA-N 476.720 6.106 50 10 JKGE N#C/C(=C/c1cc(Cl)ccc1OCc1ccc(Br)cc1)C(=O)Nc1ccc(F)cc1 1084096893 UQICPZWKGIVWAO-BOPFTXTBSA-N 485.740 6.366 50 10 JKGE COc1ccc(/C(C#N)=C/c2ccc(OC(=O)c3c(F)cccc3Cl)c(OC)c2)cc1OC 1615066088 MRHPVOWQCZQSSG-GZTJUZNOSA-N 467.880 5.788 50 10 JKGE Cc1cc(OC(=O)c2oc3c(c2C)C(=NNC(=O)c2ccccc2F)CCC3)cc(C)c1Cl 1772743782 INLRBVIJWOXYBQ-UHFFFAOYSA-N 468.912 5.687 50 10 JKGE CC1=CC[C@@]23OC(C)(C)[C@H](Cl)C[C@]2(Cl)C(=O)c2c(cc4c(c2O)CC(=CCC1)CO4)C3=O 1848435217 CGYXUANFCZTNCN-YWWLGCSWSA-N 477.384 5.285 50 10 JKGE CC1(C)[C@@H](C(=O)O[C@H](C#N)c2cccc(Oc3ccccc3)c2)[C@H]1C[C@H](Cl)C(F)(F)F 1848437156 IAUVWGRLHYJZGL-YSTOQKLRSA-N 451.872 6.419 50 10 JKGE N#CC1=C(N)Oc2c(c(-c3ccccc3)nn2-c2ccc(Cl)cc2)[C@@H]1c1ccc(Cl)c(Cl)c1 1865685500 JTCHGEUNNPEIRT-OAQYLSRUSA-N 493.781 6.718 50 10 JKGE CCCOc1cccc([C@@H]2C(C#N)=C(N)Oc3c2c(-c2ccccc2)nn3-c2ccc(OC)cc2)c1 1865692983 HAMMJDYTQNZMSL-RUZDIDTESA-N 478.552 5.555 50 10 JKGE CCCOc1ccc([C@H]2C(C#N)=C(N)Oc3c2c(CC)nn3Cc2c(F)cccc2Cl)cc1 1865693040 HJEQGXKSGZNZRA-QFIPXVFZSA-N 466.944 5.293 50 10 JKGE CCCCOc1ccc([C@@H]2C(C#N)=C(N)Oc3c2c(CCC)nn3Cc2ccccc2)cc1OC 1865697018 NJBJTSXSNWBAAN-RUZDIDTESA-N 472.589 5.290 50 10 JKGE CCCc1nn(Cc2ccc(Cl)cc2)c2c1[C@H](c1ccc(C(F)(F)F)cc1)C(C#N)=C(N)O2 1865710825 JHJZHXASGVDOJJ-HXUWFJFHSA-N 472.898 5.774 50 10 JKGE CC[C@@H](C(=O)N[C@H](Cc1ccc(O)cc1)C(=O)Nc1ccc(SC#N)cc1)c1ccc(Cl)cc1 1866951068 QVOCUHRRQNPAIP-DNQXCXABSA-N 494.016 5.479 50 10 JKGE CSCC[C@@H](NC(=O)[C@@H](c1ccc(C(C)C)cc1)C(C)C)C(=O)Nc1ccc(SC#N)cc1 1866961982 QMJKKOHTSWOJLC-DNQXCXABSA-N 483.703 5.999 50 10 JKGE COc1ccc(-c2csc(/C(C#N)=C(\O)c3ccc4c(c3)C(=O)N(Cc3ccco3)C4=O)n2)cc1 1872746101 RQSORJBRYAXLOM-LNVKXUELSA-N 483.505 5.158 50 10 JKGE CCCCOc1ccc(/C(O)=C(\C#N)c2nc(-c3ccc(OCCC)cc3)cs2)cc1OCC 1872749449 RTJBHJQNNBOSJQ-ROMGYVFFSA-N 478.614 7.126 50 10 JKGE COc1ccc(-c2csc(/C(C#N)=C(O)/C(=C\c3ccccc3)c3ccccc3)n2)c(C)c1C 1872753555 CPRLKLSRZJGTKD-FEMJRMLOSA-N 464.590 7.469 50 10 JKGE COc1ccc(C/C(O)=C(\C#N)c2nc(-c3cc(Cl)cc(C)c3OC)cs2)cc1OC 1872756914 HIOGEOVFBOTSHE-ZPHPHTNESA-N 456.951 5.833 50 10 JKGE CCOc1cc(/C=C(\C#N)c2nc(-c3ccc(F)cc3F)cs2)ccc1OCC(=O)N(CC)CC 1872784320 KCPSSRFFXYGJSD-WOJGMQOQSA-N 497.567 5.798 50 10 JKGE COCCC(=O)N/N=C/c1cn(-c2ccccc2)nc1-c1ccc(OCc2ccc(Cl)cc2)cc1 1873497642 ZQLFDPBWSZJLGF-STBIYBPSSA-N 488.975 5.258 50 10 JKGE Cc1cc(OCCC/C(O)=C(\C#N)c2nc(-c3cccc([N+](=O)[O-])c3)cs2)cc(C)c1Cl 1873940674 CDGQLFNVKRMDPX-VZCXRCSSSA-N 469.950 6.640 50 10 JKGE C[C@@H](CCBr)N(Cc1ccccc1)c1ccccc1S(=O)(=O)C(F)(F)F 1915086677 LDRVIOQJNQSLCH-AWEZNQCLSA-N 450.320 5.160 50 10 JKGE Fc1cc(Cl)cc([C@H](Br)c2scc(C(F)(F)F)c2Br)c1 1918787787 OJEOJYXXUBUCPK-VIFPVBQESA-N 452.492 6.806 50 10 JKGE C[C@H](C[C@@H](Cl)c1c(Br)sc(Br)c1Br)CC(C)(C)C 1924591711 TVNJWBMYXYGSRD-HTQZYQBOSA-N 481.519 7.778 50 10 JKGE Brc1cccnc1C[C@@H](Br)c1ccccc1I 1924908644 XLMCJXGYOXFUIU-LLVKDONJSA-N 466.942 5.127 50 10 JKGE CC(C)(C)c1ccc([C@H](Br)c2c(Cl)sc(Br)c2Cl)cc1 1925600523 RRXQVNKAXFULEE-NSHDSACASA-N 457.058 7.599 50 10 JKGE CN(Cc1cccc(Br)c1Cl)C[C@H](Br)COCc1ccccc1 1979517280 HREIGQCFOROCSB-INIZCTEOSA-N 461.625 5.515 50 10 JKGE Cc1nc(C(=O)N(Cc2ccccc2)[C@H](CBr)C(C)C)c(Br)s1 1980604529 GUDOARXNGVVWDM-CQSZACIVSA-N 460.235 5.276 50 10 JKGE Cn1nc([C@H](Cl)c2cc(Br)sc2Br)c(Br)c1Cl 2001996038 WVRBFCHZOUAQBC-ZCFIWIBFSA-N 483.838 5.751 50 10 JKGE O=C(c1csc(Br)c1Br)N1CCCCC[C@H]1CBr 2032954230 ZDXBJVPNJHFVFI-QMMMGPOBSA-N 460.029 5.053 50 10 JKGE CC(C)(C)N(CCCBr)C(=O)c1c(Br)cccc1Br 2094096017 SOZIRBXVUCZLDS-UHFFFAOYSA-N 456.016 5.237 50 10 JKGE Clc1ccc(Br)cc1C[C@@H](CBr)c1ccccc1Br 2110524006 NUYNSRBRXDWUMZ-NSHDSACASA-N 467.426 6.586 50 10 JKGE C[C@H](Cl)c1nc2cc(Cl)c(Br)cc2n1[C@H]1CC[C@@H]1OCc1ccccc1 2112702079 RPKPLXQUOKKJAS-KHDYIWLOSA-N 454.195 6.672 50 10 JKGE CCc1nc([C@H](Br)c2cc(Br)c(Cl)cc2F)c(Br)s1 2113185954 WGKOQDRRSFPFIM-SNVBAGLBSA-N 492.433 6.507 50 10 JKGE FC(F)(F)[C@H]1C[C@H]1COc1c(Br)cc(CBr)cc1Br 2128749117 MCEPINOEPBRURC-YUMQZZPRSA-N 466.917 5.684 50 10 JKGE Cc1c([C@H](Br)c2cc(C3CC3)c(Br)s2)c(Br)nn1C 2131589500 FQXQMIHSPZOHRQ-LLVKDONJSA-N 469.040 5.677 50 10 JKGE COc1cc(Cl)c([C@@H](Br)c2cc(Cl)sc2Cl)cc1Br 2137639197 DMLVJPCNUUCISS-LLVKDONJSA-N 465.421 6.964 50 10 JKGE Cc1cc(Cl)c(Br)cc1[C@@H](Br)c1ccc(F)c(Br)c1 2137643346 RCFUHNHPKVBXLX-AWEZNQCLSA-N 471.389 6.797 50 10 JKGE Cc1c(Br)ccc([C@@H](Cl)c2c(F)cccc2Br)c1Br 2138863875 NDYONTSRKTZYOQ-CQSZACIVSA-N 471.389 6.750 50 10 JKGE CCCC1CCC([C@H](Br)c2ccc(Br)cc2Br)CC1 2138875885 KGKGRONRUAGUOG-PPUFBPAQSA-N 453.056 7.254 50 10 JKGE O=C(N[C@@H]1CCCC[C@H]1CCBr)c1ccc(I)c(Cl)c1 2146719964 QIDACBWCFZTEKP-IINYFYTJSA-N 470.576 5.018 50 10 JKGE Cc1cc(Br)cc(CCl)c1OCc1cccc(Br)c1Br 2148753316 WMLDSNXXPNBYDD-UHFFFAOYSA-N 483.425 6.600 50 10 JKGE CN(c1ccc(F)c(Cl)c1CBr)[C@@H]1C[C@@H]2CC[C@H](C1)N2Cc1ccccc1 2151236011 BTOUPHJEPOCTHZ-PIIMJCKOSA-N 451.811 6.006 50 10 JKGE ClCCc1nc2cc(Cl)c(Br)cc2n1-c1cscc1Br 2169010444 MTPRJNIBURYYPX-UHFFFAOYSA-N 455.002 6.047 50 10 JKGE CN(C(=O)c1cc(Br)ccc1I)C1(CCl)CCCCC1 2170168479 IGTWVJXEOBSOPC-UHFFFAOYSA-N 470.576 5.067 50 10 JKGE Cc1cc(Br)c(C)c([C@H](Br)c2cc(Cl)ccc2F)c1Br 2201069555 KVQAQCZXMYUYSP-OAHLLOKOSA-N 485.416 7.105 50 10 JKGE Brc1sc([C@H]2CC[C@@H](Br)C2)c(Br)c1Br 2209972673 BBPVRRJAKQIOBE-CRCLSJGQSA-N 467.846 6.067 50 10 JKGE Cc1sc([C@@H](Cl)c2ccc(Br)c(C)c2Br)cc1Br 2218968863 LNNXCWLBLFIZMP-ZDUSSCGKSA-N 473.455 6.981 50 10 JKGE Brc1csc([C@@H](Br)c2ccc3c(c2Br)CCO3)c1 2222187545 IIUHZSCLUZELFR-ZDUSSCGKSA-N 452.993 5.692 50 10 JKGE Clc1cc(Br)c([C@@H](Br)C[C@H]2CCCOCC2)c(Cl)c1Cl 2232520636 PPXPVHZBLQMFNR-IUCAKERBSA-N 465.440 7.052 50 10 JKGE Cc1cc(Br)c([C@H](Cl)c2cc(Br)ccc2Cl)c(C)c1Cl 2232527778 FIKLQGBASXTFSD-OAHLLOKOSA-N 457.420 7.463 50 10 JKGE CCOCc1cc(Br)c([C@@H](Cl)c2ccc(Br)c(Cl)c2)s1 2233009661 PNJOAOORDHQDHQ-ZDUSSCGKSA-N 459.030 6.791 50 10 JKGE COc1cccc([C@H](Br)c2cc(Br)c(Br)cc2F)c1C 2233974924 HQPADQDFHCNVMN-HNNXBMFYSA-N 466.970 6.152 50 10 JKGE Cc1cc(Br)c([C@@H](Cl)c2cc3sccc3s2)c(C)c1Br 2235606893 XPFGOZGMDOFBAQ-HNNXBMFYSA-N 450.648 7.433 50 10 JKGE Fc1ccc(Br)c([C@H](Br)c2ccc3c(c2Br)CCO3)c1 2238080885 BCUMGZBUPDGBST-OAHLLOKOSA-N 464.954 5.770 50 10 JKGE COc1c([C@H](Br)c2cc(Br)sc2Br)csc1Cl 2248560442 VXXGFMMFJRTOMD-SSDOTTSWSA-N 481.456 6.481 50 10 JKGE COc1c(Br)cc(Cl)cc1[C@H](Br)c1ccsc1Br 2253401669 DYAIADLAENLPBO-SNVBAGLBSA-N 475.427 6.419 50 10 JKGE CCc1nc([C@@H](Br)c2cc(CC)c(Br)s2)c(Br)s1 2256052720 LPYUGAQCZFJQQZ-VIFPVBQESA-N 474.081 6.339 50 10 JKGE CS(=O)(=O)[C@H]1C[C@H]([C@H](Cl)c2c(Br)sc(Br)c2Cl)C1 2257627077 GSIBKDDANPQYGB-VPLCAKHXSA-N 457.036 5.030 50 10 JKGE COc1ccc([C@@H](Br)c2cc(Br)n(C)n2)c(Br)c1Cl 2268267790 JATKWYJAORDXPR-SNVBAGLBSA-N 473.390 5.091 50 10 JKGE C[C@H]1Cc2cc(Br)cc([C@H](Br)c3cc(Br)co3)c2O1 2270493148 ZWIVURVLILYKLD-CPFSXVBKSA-N 450.952 5.612 50 10 JKGE Brc1cc(Br)cc(C[C@@H](Br)C2CC3(CCCO3)C2)c1 2277952649 HQPOJFDHPFEXQR-XGTXGMFGSA-N 453.012 5.477 50 10 JKGE CCC(CBr)(CBr)NC(=O)c1cc(Br)cc(C(C)C)c1 2280706523 OAUKREHRIARJHP-UHFFFAOYSA-N 470.043 5.241 50 10 JKGE CS(=O)(=O)C1CC([C@H](Br)c2c(Br)cc(Cl)c(Cl)c2Cl)C1 2285392345 YEQPWJSWIZHUJS-JCSINIIFSA-N 485.452 5.669 50 10 JKGE CCCCOc1ccc(C=CC(=O)Oc2ccc(C=C(C#N)C(=O)OCC)cc2OCC)cc1 2293190741 RJQOBZKDNFHTOL-UHFFFAOYSA-N 463.530 5.353 50 10 JKGE Cc1ccc(C[C@@H]2SC(=C(C#N)C(=O)Nc3ccc(Cl)cc3)N(c3ccccc3)C2=O)cc1 2296834396 FQQWLUNPYUVRTO-QHCPKHFHSA-N 473.985 5.713 50 10 JKGE CCCOc1c(I)cc(C=C(C#N)C(=O)Nc2ccc(F)cc2)cc1OCC 2297533856 RMVXHIMJILSSQC-UHFFFAOYSA-N 494.304 5.163 50 10 JKGE Brc1ccc(OCc2ccccc2)c([C@H](Br)[C@@H]2CCCOCC2)c1 2299505409 WPVVANRTQKRQBF-OXQOHEQNSA-N 454.202 6.281 50 10 JKGE Cc1sc([C@@H](Cl)c2cc(Br)ccc2OCc2ccccc2)cc1Br 2299527910 NDFRRDNRERCJHE-IBGZPJMESA-N 486.656 7.489 50 10 JKGE CC1(C)C[C@@H]1CC[C@H](Br)c1cc(Br)ccc1OCc1ccccc1 2299530505 MONDPTJSWNQNCC-LPHOPBHVSA-N 452.230 7.290 50 10 JKGE FC1(F)CCC[C@@H]2[C@@H]([C@@H](Br)c3cc(Br)c(Br)s3)[C@@H]21 2309458326 FCOXZWNRENTCAA-KBHCAIDQSA-N 464.995 6.391 50 10 JKGE Cc1cccc(NC(=O)C(C#N)=Cc2cc(Br)ccc2OCc2ccc(F)cc2)c1 2313540921 CORCKCHFYDGCSP-UHFFFAOYSA-N 465.322 6.021 50 10 JKGE COc1ccc(NC(=O)C(C#N)=Cc2ccc(-c3ccc(Br)c(C)c3C)o2)cc1 2313549247 QTWBFTBNHLXIME-UHFFFAOYSA-N 451.320 5.880 50 10 JKGE Brc1ccc(OCc2ccccc2)c([C@H](Br)[C@@H]2C[C@]23CCCOC3)c1 2314491054 MHSBWQUSAYDRGT-JBACZVJFSA-N 466.213 6.281 50 10 JKGE Brc1ccc(OCc2ccccc2)c([C@H](Br)[C@@H]2C[C@@H]3CCC[C@@H]3C2)c1 2314492169 VLWLZNUPNGNNNU-BZDHPDOMSA-N 464.241 7.290 50 10 JKGE Cc1ccc(N2C(=O)[C@H](Cc3cccc(Cl)c3)SC2=C(C#N)C(=O)Nc2ccccc2)cc1C 2314592148 MPQTZSJUTFIXQY-DEOSSOPVSA-N 488.012 6.022 50 10 JKGE C=CCOc1ccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)C=Cc4ccc(OC)cc4)ccc32)cc1 2314634517 CZGFOVPQERCGBW-MUUNZHRXSA-N 480.520 5.097 50 10 JKGE Clc1cc(I)c([C@@H](Br)c2ccc3c(c2)COC3)s1 2316771565 SPSZIHWHHJMWPG-LBPRGKRZSA-N 455.542 5.521 50 10 JKGE COc1cccc(C[C@H](Br)c2sc(Cl)cc2I)c1 2316772575 WTUGPAYUFXQDDW-JTQLQIEISA-N 457.558 5.693 50 10 JKGE O=C(NN=Cc1c(Cl)ccc(Cl)c1Cl)c1ccc2nc(Cc3ccccc3)[nH]c2c1 2318418276 VOZWZWFUIKSJKI-UHFFFAOYSA-N 457.748 5.878 50 10 JKGE COc1ccc(C(C#N)=Cc2ccc(OC(=O)Cc3c[nH]c4ccccc34)c(OC)c2)cc1OC 2320506644 OFGNFQKCIPQMKD-UHFFFAOYSA-N 468.509 5.406 50 10 JKGE COC(=O)c1ccccc1N1C[C@@H](C(O)=C(C#N)c2nc(-c3cccc(Cl)c3)cs2)CC1=O 2331294078 NDYYNNGHJOSPJO-HNNXBMFYSA-N 479.945 5.096 50 10 JKGE CCCOc1ccc(-c2csc(C(C#N)=C(O)c3ccc4c(c3)C(=O)N(C(C)C)C4=O)n2)cc1 2331318387 GMEMWNIRLUGJNL-UHFFFAOYSA-N 473.554 5.553 50 10 JKGE Cc1cc(OCC(O)=C(C#N)c2nc(-c3cc(C(C)(C)C)ccc3C)cs2)ccc1Cl 2331397076 GBHJEOWUILPMKU-UHFFFAOYSA-N 453.007 7.250 50 10 JKGE CC(C)(C)N1C(=O)c2ccc(C(O)=C(C#N)c3nc(-c4ccc(Cl)s4)cs3)cc2C1=O 2331400769 SYLSMXUEVCWKTD-UHFFFAOYSA-N 469.975 5.869 50 10 JKGE N#CC(=Cc1ccc(OCc2ccccc2)cc1)c1nc(-c2ccc3c(c2)OCCO3)cs1 2331451297 NRFSXQSLEJEKNT-UHFFFAOYSA-N 452.535 6.224 50 10 JKGE Cc1cc(Br)c([C@H](Br)[C@@H]2[C@H]3COCC[C@H]32)c(C)c1Br 2333709016 TXXHQQHUOIMZFQ-BILRFKGYSA-N 453.012 5.547 50 10 JKGE CO[C@@H]1C[C@@H]([C@H](Br)c2ccc(OCc3ccccc3)cc2Br)C12CCC2 2336085073 ZDCJDMAUEUCYSE-CEWLAPEOSA-N 480.240 6.669 50 10 JKGE Cc1cc(I)c(Oc2cncc(F)c2CBr)cc1Cl 2336550770 JFDUMACFTPLZIJ-UHFFFAOYSA-N 456.480 5.474 50 10 JKGE Clc1ccc(CC[C@@H](Cl)c2ccccc2Br)cc1I 2337218902 NPMZKVCKBDSFEX-CYBMUJFWSA-N 469.975 6.620 50 10 JKGE COc1c(Br)cc(C)c([C@@H](Br)CCC2(C)CC2)c1Br 2339657062 UEHPLRWYORNPBA-JTQLQIEISA-N 455.028 6.545 50 10 JKGE Cc1cc(Br)c(F)c(Br)c1[C@H](Br)C[C@H]1OCC[C@@H]1C 2339681680 KRFUDCKMQYYFBF-JVUFJMBOSA-N 458.991 5.910 50 10 JKGE Cc1cc(Br)c(F)c(Br)c1[C@@H](Cl)c1scc(Cl)c1Cl 2339684863 PKGWKXQYVZYZQJ-SNVBAGLBSA-N 467.412 7.356 50 10 JKGE COc1ccc([C@@H](Cl)c2ccc(Cl)cc2I)c(Br)c1 2340064566 QRDZVLNPHYKZDT-CQSZACIVSA-N 471.947 6.044 50 10 JKGE Fc1cc(Cl)c([C@@H](Br)c2cc(Br)ccc2Br)c(Cl)c1 2340796334 SUPDZCLDEHTQRO-ZDUSSCGKSA-N 491.807 7.142 50 10 JKGE Fc1cc(Br)c(F)c(Br)c1[C@@H](Br)[C@@H]1O[C@H]2CC[C@H]1C2 2352538143 DMQXOTXYCVBLSX-COUWPZEDSA-N 460.938 5.493 50 10 JKGE CCCc1sc(Br)cc1[C@@H](Br)c1cc(C)cc(Br)c1F 2363270073 XWDQLZOWWFRVJX-CQSZACIVSA-N 485.054 7.157 50 10 JKGE COc1c(Br)cc(C)c([C@@H](Br)[C@@H]2C[C@@H]3CC[C@H]2O3)c1Br 2365193678 KAFFEEHEYFWBFK-JQEKQURRSA-N 469.011 5.532 50 10 JKGE Cc1ccc(Cl)c([C@H](Br)c2c(C)cc(Br)c(F)c2Br)c1 2365223090 KCGFUYPXXQSQPK-ZDUSSCGKSA-N 485.416 7.105 50 10 JKGE Cn1cc(I)c(CC2(CBr)CCC(C(C)(C)C)CC2)n1 2367497788 SZQJQVBVJBHXSP-UHFFFAOYSA-N 453.206 5.185 50 10 JKGE Cc1cc(Br)c(F)c(Br)c1[C@H](Br)C[C@@H]1CC[C@@H]1C1CC1 2368175741 AMFLUTAYVOJZLH-QJPTWQEYSA-N 469.030 6.921 50 10 JKGE FC(F)(F)[C@@H]1C[C@@H](Br)CCN1Cc1cc(I)ccc1Cl 2380515447 PVMYHZHTSZKFLO-CABZTGNLSA-N 482.509 5.235 50 10 JKGE Clc1ccc(I)cc1CN1CCC[C@@H]2CC[C@@H](Br)C[C@@H]21 2380520882 BBWPENVIBXUXDF-KFNAQCHYSA-N 468.604 5.473 50 10 JKGE ClCc1nc2ccc(Br)cc2n1CCC12CC(I)(C1)C2 2381618943 HJVGBVAPJABMCN-UHFFFAOYSA-N 465.560 5.285 50 10 JKGE CCOc1ccccc1[C@H]1C(C#N)=C2N=C(N)c3ccccc3N2C2=C1C(=O)C[C@@H](c1ccccc1)C2 3654404 NPMRDHFNPGIAIE-MMTVBGGISA-N 486.575 5.544 50 10 JKGE O=C(C=C(Sc1ccccc1)Sc1ccccc1)N/N=C/c1cccc(Br)c1 9695036 BKEKAQQMBYPDKU-LFVJCYFKSA-N 469.429 6.325 50 10 JKGE CC[C@H](C)c1ccccc1O[C@H](CC)C(=O)NNC(=O)c1ccc(OCc2ccccc2)cc1 10683863 RGTSPPDGMVUIHS-NBGIEHNGSA-N 460.574 5.398 50 10 JKGE CCCCCCOc1ccc(C(=O)NNC(=O)c2ccc(OC(C)C)c(Br)c2)cc1 14658952 XBHFKRLQGSVUJO-UHFFFAOYSA-N 477.399 5.270 50 10 JKGE CC[C@H](Oc1ccc(-c2ccccc2)cc1)C(=O)NNC(=O)CCC(=O)Nc1cccc(Cl)c1C 14768524 AUNKGTNZFFCAPA-DEOSSOPVSA-N 493.991 5.039 50 10 JKGE N#C/C(=C/c1ccc(OC(=O)CCCOc2ccc(Cl)cc2Cl)cc1)c1ccc(Cl)cc1 31901349 BOVPPJVRFLXOSD-RGEXLXHISA-N 486.782 7.476 50 10 JKGE CCN(CC)S(=O)(=O)c1ccc(C(=O)Oc2cccc(/C=C(/C#N)c3ccc(OC)cc3)c2)cc1 31903142 DVFLMELDNMMYII-QJOMJCCJSA-N 490.581 5.009 50 10 JKGE COc1cccc2cc(-c3nn(-c4ccccc4)cc3/C=C(/C#N)C(=O)NC3CCCCC3)oc12 33515843 ZYSREVDMUSMXAZ-HKWRFOASSA-N 466.541 5.650 50 10 JKGE N#C/C(=C/c1ccc(Cl)cc1Cl)C(=O)Nc1ncc(Cc2cccc(Cl)c2Cl)s1 33735193 LHPVPGYMHZEBBK-MLPAPPSSSA-N 483.207 6.893 50 10 JKGE COc1cc(/C=C(/C#N)C(=O)Nc2sc3c(c2C#N)CCCC3)ccc1OCc1ccccc1F 35394036 AXVHJZMZFHGBKV-UNOMPAQXSA-N 487.556 5.771 50 10 JKGE CCCCCCN1C(=O)C(C#N)=C(C)/C(=C\c2ccc(OCc3ccc(C)cc3)c(OCC)c2)C1=O 38604219 SROMVLZRJYNFOP-KOEQRZSOSA-N 486.612 6.145 50 10 JKGE COc1cc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4ccc(C)cc4)ccc32)ccc1OCCC(C)C 38660318 GFHAGEOYVYLZME-MUUNZHRXSA-N 498.579 5.866 50 10 JKGE C=CCOc1ccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4ccc(C)cc4)ccc32)cc1OC 38680784 CBUCAMQTAQSKPT-SANMLTNESA-N 468.509 5.006 50 10 JKGE CCCCOc1ccccc1[C@H]1C(C#N)=C(N)Oc2cc(OC(=O)c3cccc(C)c3)ccc21 38682642 SRIGZQWAFGMJLP-AREMUKBSSA-N 454.526 5.611 50 10 JKGE CCCCCOc1ccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)Cc4ccc(OC)cc4)ccc32)cc1 38685557 AUIOTUUGAMEZKB-LJAQVGFWSA-N 498.579 5.630 50 10 JKGE CCOc1ccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4cc([N+](=O)[O-])ccc4Cl)ccc32)cc1 38685981 IONQFMMTBRLMPW-QHCPKHFHSA-N 491.887 5.084 50 10 JKGE N#C/C(=C\c1ccc(-c2ccc(Br)cc2)o1)c1nc(-c2cccc([N+](=O)[O-])c2)cs1 39885062 GDQXOXJVHINVST-LFIBNONCSA-N 478.327 6.805 50 10 JKGE COc1cc(/C=C(\C#N)C(=O)NC(C)C)ccc1OC(=O)c1ccccc1CCc1ccccc1 40884504 PURXPFKSWYIFEJ-JJIBRWJFSA-N 468.553 5.131 50 10 JKGE COc1cc(/C=N/NC(=O)COc2cccc(C)c2C)ccc1OCc1c(Cl)cccc1Cl 40888733 FMNXHZCNMMXEDP-XODNFHPESA-N 487.383 5.727 50 10 JKGE CCOc1ccc([C@@H](O)CCC(=O)N/N=C\c2ccc(OCc3ccccc3F)c(OCC)c2)cc1 58893327 XAAUMCRQWMKAPL-NYFJFQCHSA-N 494.563 5.166 50 10 JKGE Cc1c(Cl)cccc1NC(=O)/C(C#N)=C/c1cn(Cc2ccc(Cl)cc2)c2ccccc12 59272391 XCJKYUGRQMMCDQ-CPNJWEJPSA-N 460.364 6.851 50 10 JKGE CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(C)cc2)ccc1OCc1cccc2ccccc12 59432905 PXFCNSXDKUZLEG-KOEQRZSOSA-N 462.549 6.672 50 10 JKGE C=CCNC(=O)/C(C#N)=C1\S[C@H](Cc2cc(Cl)cc(Cl)c2)C(=O)N1c1ccc(CC)cc1 101241494 OMVRHORDYUGFDU-SSXUBFHHSA-N 486.424 5.284 50 10 JKGE CCOc1ccc(N2C(=O)[C@H](Cc3cccc(C)c3)S/C2=C(/C#N)C(=O)Nc2ccccc2)cc1 101244662 XHACPIZWCUTCEJ-UZEPBSNMSA-N 483.593 5.459 50 10 JKGE CC1=C(C#N)C(=O)N(C2CCCC2)C(=O)/C1=C/c1cn(-c2ccccc2)nc1-c1ccc(Cl)cc1 101338541 HKYBTKNUEMIOSN-BUVRLJJBSA-N 482.971 5.728 50 10 JKGE COC(=O)c1ccc(N/C=C(/C#N)c2nc(-c3cc4cc(Cl)ccc4oc3=O)cs2)cc1 102934292 BLXWZAUACGWXPQ-PTNGSMBKSA-N 463.902 5.333 50 10 JKGE CCCCCCCCCCOc1ccc(C(=O)N/N=C/c2cccc(Br)c2)cc1 103724310 VKRXMUNOYXGAQN-LGUFXXKBSA-N 459.428 6.733 50 10 JKGE FC(F)Oc1ccccc1[C@@H](Br)c1cc(Br)ccc1Br 109844345 XYCKJJSSAVDZAG-CYBMUJFWSA-N 470.933 6.297 50 10 JKGE FC(F)(F)COCCC(CBr)(CBr)c1cccc(Br)c1 118878796 NKQZEFPKYKOOKI-UHFFFAOYSA-N 482.960 5.446 50 10 JKGE Fc1ccc(Br)c([C@H](Cl)c2cc(Br)c(Br)s2)c1 128156713 LDMAJBHSTNKSFQ-JTQLQIEISA-N 463.391 6.503 50 10 JKGE Brc1cc([C@@H](Br)c2cnn(-c3ccccc3)c2)sc1Br 128552013 BQAFUYSSWJBELL-ZDUSSCGKSA-N 477.019 5.943 50 10 JKGE FC(F)(F)Oc1ccc([C@@H](Br)c2cc(Br)ccc2Br)cc1 131397258 VHSBDONIQPPJEQ-CYBMUJFWSA-N 488.923 6.595 50 10 JKGE Cc1cc([C@H](Cl)c2cc(Br)ccc2Br)c(C)cc1Br 161103746 SBULUHLZRVJIRQ-HNNXBMFYSA-N 467.426 6.919 50 10 JKGE CCCC1CCC(CI)(OCc2ccccc2Br)CC1 162550440 FSHLWDVMXAGIQW-UHFFFAOYSA-N 451.186 6.130 50 10 JKGE CC1(C)C[C@@H](NC(=O)N2CCC(c3cc4cc(Cl)ccc4[nH]3)CC2)C[C@@](C)(CN=C=O)C1 170290650 LECNATSJSUPQGF-CJFMBICVSA-N 457.018 5.631 50 10 JKGE CCCCOc1ccc(/C=C(/C#N)C(=O)Nc2nc(-c3ccc(OC(C)C)cc3)cs2)cc1 206700605 OZFNSWIXPNSWEW-QNGOZBTKSA-N 461.587 6.322 50 10 JKGE CCCCCCCOc1ccc(/C=C2\C(=O)N([C@@H](C)CC)C(=O)C(C#N)=C2C)cc1OCC 214266502 WRNPVMWIWMKSAL-ODENVGOISA-N 452.595 5.825 50 10 JKGE Cc1cc(C)c2c(-n3cccc3)c(C(=O)NN=Cc3ccc(-c4ccc(F)cc4)o3)sc2n1 254762132 DRHDYLKLRJCYFO-UHFFFAOYSA-N 458.518 5.867 50 10 JKGE Brc1ccc(C[C@H](Br)c2cc3c(cc2Br)OCC3)cc1 308422611 ZCQKSUZOGLHKAJ-AWEZNQCLSA-N 460.991 5.825 50 10 JKGE COc1cc([C@@H](Br)c2cccc(OCc3ccccc3)c2)c(OC)cc1Br 312713228 QNYHLWCSOFCQRU-QFIPXVFZSA-N 492.207 6.530 50 10 JKGE CCOc1cc(Cl)c([C@@H](Br)c2ccccc2OCc2ccccc2)cc1Cl 383928789 UWCFSWHOVWHUKH-QFIPXVFZSA-N 466.202 7.455 50 10 JKGE CC(C)(C)[Si](C)(C)OCCc1cccc([C@H]2COCCCN2S(=O)(=O)c2ccccc2)c1 616647932 JRLXXABVTJZNBX-XMMPIXPASA-N 475.727 5.403 50 10 JKGE Brc1cc([C@@H](Br)c2cccc(OCc3ccccc3)c2)cc2c1OCCC2 689521123 ZGMVFXDFJBIGSB-QFIPXVFZSA-N 488.219 6.837 50 10 JKGE Fc1ccc([C@H](Br)Cc2ccc(Br)cc2)c(F)c1Br 691635610 NTZDBYTVGJAZOB-LLVKDONJSA-N 454.934 6.169 50 10 JKGE Brc1cc([C@H](Br)c2ncsc2Br)sc1Br 698612355 YDPSKENBDAHNKW-YFKPBYRVSA-N 496.869 5.976 50 10 JKGE Brc1ccc(Br)c([C@H](Br)[C@@H]2CCC[C@@H]3CCCC[C@H]32)c1 714468252 PMTZGUPXVYWRQS-ZCTGUTNYSA-N 465.067 7.254 50 10 JKGE CCOc1ccc([C@H](O)CCC(=O)NN=Cc2cc(C)n(-c3cc(Cl)ccc3Cl)c2C)cc1 1084318618 GITTYFFREITHJD-XMMPIXPASA-N 488.415 5.764 50 10 JKGE Cc1c(C=NNC(=O)c2ccccc2Br)c2ccccc2n1Cc1cccc(C#N)c1 1084444590 KWHHUNHRCMYSRX-UHFFFAOYSA-N 471.358 5.396 50 10 JKGE COc1cc(/C=C(/C#N)C(=O)Nc2cc(Cl)ccc2Cl)ccc1OCc1ccc(Cl)cc1 1084488108 ZRBQQAKMZDQNTF-YVLHZVERSA-N 487.770 6.780 50 10 JKGE Cc1ccc(NC(=O)c2oc3c(c2C)C(=NNC(=O)c2ccc([N+](=O)[O-])cc2)CCC3)cc1Cl 1772744330 CDRHHEDHYNHWEF-UHFFFAOYSA-N 480.908 5.181 50 10 JKGE Cc1c(C(=O)Nc2cc(Cl)cc(Cl)c2)oc2c1C(=NNC(=O)c1ccc(O)cc1)CCC2 1772745092 QRJWFAGQGPLDSC-UHFFFAOYSA-N 472.328 5.323 50 10 JKGE CCCCCCOc1ccc(C=NNC(=O)CCCOc2ccc(C)cc2Br)cc1 1772755313 ALVAVTVELVUWRI-UHFFFAOYSA-N 475.427 6.026 50 10 JKGE N#CC1=C(N)Oc2c(c(-c3ccccc3)nn2Cc2ccccc2Cl)[C@@H]1c1ccccc1F 1865681234 IHCAWXACVVXHEP-JOCHJYFZSA-N 456.908 5.609 50 10 JKGE N#CC1=C(N)Oc2c(c(-c3ccccc3)nn2Cc2ccc(Cl)cc2)[C@@H]1c1ccccc1Cl 1865686536 XKISCLCYSBYLBP-JOCHJYFZSA-N 473.363 6.123 50 10 JKGE CCOc1ccc([C@H]2C(C#N)=C(N)Oc3c2c(-c2ccccc2)nn3-c2ccccc2)cc1OCC 1865689565 SQOYCPPWMYTDBP-VWLOTQADSA-N 478.552 5.555 50 10 JKGE CCCOc1ccc([C@H]2C(C#N)=C(N)Oc3c2c(C(F)(F)F)nn3-c2ccc(C)cc2)cc1OCC 1865690804 BLRAZBOKCYVWNC-NRFANRHFSA-N 498.505 5.605 50 10 JKGE N#CC1=C(N)Oc2c(c(-c3ccccc3)nn2-c2ccc(Br)cc2)[C@@H]1c1ccco1 1865698598 YIEFFCNREWMASO-IBGZPJMESA-N 459.303 5.113 50 10 JKGE CCCn1nc(-c2ccccc2)c2c1OC(N)=C(C#N)[C@H]2c1cc(Br)ccc1F 1865702346 TWTIQXDFOLFKAQ-GOSISDBHSA-N 453.315 5.080 50 10 JKGE Cc1ccc(Cn2nc(-c3ccccc3)c3c2OC(N)=C(C#N)[C@@H]3c2ccc(Cl)c([N+](=O)[O-])c2)cc1 1865705781 FUNCMRLYSTUGIY-QHCPKHFHSA-N 497.942 5.687 50 10 JKGE COc1ccccc1[C@@H]1C(C#N)=C(N)Oc2c1c(C(F)(F)F)nn2-c1cccc2ccccc12 1865709895 JMWLOYQUCHEHRM-HXUWFJFHSA-N 462.431 5.271 50 10 JKGE CCc1nn(Cc2ccccc2)c2c1[C@H](c1cccc(OCc3ccccc3)c1)C(C#N)=C(N)O2 1865712344 WEWIWTKQWCQMTB-AREMUKBSSA-N 462.553 5.291 50 10 JKGE CC[C@@H](C)[C@@H](/C(O)=C(\C#N)c1nc(-c2ccccc2Cl)cs1)N1C(=O)c2ccccc2C1=O 1872746147 UUFSBMOPAAIYGI-JEJSWEEYSA-N 477.973 5.967 50 10 JKGE COc1c(Cl)cc(Cl)cc1-c1csc(/C(C#N)=C(\O)[C@H](C)Oc2ccccc2C(C)C)n1 1872754541 XPFLORBBWHHWOZ-RJHYDAJSSA-N 489.424 7.509 50 10 JKGE CCOc1ccc(OCC)c(-c2csc(/C(C#N)=C(O)/C=C\c3ccc(Cl)cc3)n2)c1 1872754625 BJROFJHEAYVRNJ-QKHOCTPZSA-N 452.963 6.767 50 10 JKGE COc1cc(C)c(-c2csc(/C(C#N)=C(\O)c3cccc(Oc4ccccc4)c3)n2)cc1C 1872758344 WBBQIYYCDKLUAR-RWEWTDSWSA-N 454.551 7.178 50 10 JKGE COc1cc(/C=C(\C#N)c2nc(-c3c[nH]c4ccccc34)cs2)ccc1OCCc1ccccc1 1872791794 SEAYXFKLUYJFEY-PXLXIMEGSA-N 477.589 6.986 50 10 JKGE COc1cc(-c2csc(/C(C#N)=C/c3ccc(Br)cc3)n2)c(OC)cc1Cl 1872793683 NHOQZWZXESJAPZ-NTUHNPAUSA-N 461.768 6.307 50 10 JKGE CC1(C)COc2c([C@@H](Br)[C@H]3C[C@@H](Br)C3)cc(Br)cc21 1887751927 MESNTJOMPLWFKZ-RWEMILLDSA-N 453.012 5.729 50 10 JKGE FC1(F)CC[C@@H]2[C@H]([C@H](Br)c3cc(Br)sc3Br)[C@@H]21 1906979628 YGYJVOOGRFVCSQ-CNOPELTASA-N 450.968 6.000 50 10 JKGE CC1(C)CN(Cc2ccccc2)C[C@H]1Cn1c(CCl)nc2cc(I)ccc21 1913128946 WYRFFCTVOPAWTL-KRWDZBQOSA-N 493.820 5.538 50 10 JKGE Clc1cscc1[C@H](Br)c1sc(Br)cc1Br 1922882679 MWWAHOURIFIPAY-QMMMGPOBSA-N 451.430 6.472 50 10 JKGE FC(F)C1([C@H](Br)c2c(Br)sc(Br)c2Cl)CC1 1923038441 JKAXFWVDHSUZBV-RXMQYKEDSA-N 459.375 6.408 50 10 JKGE Cc1coc(C)c1[C@H](Br)c1c(Br)sc(Br)c1Cl 1923074832 SBDZNMBCKNZZAN-QMMMGPOBSA-N 463.416 6.621 50 10 JKGE C[C@@H]1CN(c2c(CBr)ccc(Br)c2Cl)CCN1Cc1ccccc1 1948735052 KJCPQEOLORFPEV-CQSZACIVSA-N 472.652 5.708 50 10 JKGE Brc1cc([C@H](Br)C2(Br)CCC2)c(Br)s1 1956593582 OAIQRZJQJJHWDN-ZETCQYMHSA-N 467.846 6.027 50 10 JKGE C[C@@]1([C@H](Br)c2cc(Br)c(Br)s2)CCCC1(F)F 2002581913 INXRSTZFADRFMU-SCZZXKLOSA-N 452.984 6.535 50 10 JKGE Cc1c(Br)ccc([C@@H](Cl)c2sccc2Br)c1Br 2024279400 NAOWRZAFCFGUQC-LLVKDONJSA-N 459.428 6.672 50 10 JKGE COc1cc(Br)c(C)cc1[C@H](Br)c1nscc1Br 2029261013 BSXPVUKNHGKXLQ-NSHDSACASA-N 455.997 5.469 50 10 JKGE Clc1ccc([C@H](Br)c2cccc(Br)c2Br)c(Cl)c1 2031478690 IQBAGPAQHQCIOG-LBPRGKRZSA-N 473.817 7.003 50 10 JKGE CCC(F)(F)CCOc1c(Br)cc(Br)cc1CBr 2035904089 PUHUDRFDHMUUOZ-UHFFFAOYSA-N 450.943 5.921 50 10 JKGE Cc1sc(Br)c([C@H](Br)c2sc(C)c(Br)c2C)c1C 2039503920 UEOFBNHUFPATIL-NSHDSACASA-N 473.093 7.053 50 10 JKGE Cc1nn(Cc2ccc(Cl)cc2Cl)c(Cl)c1C=C(C#N)c1nnc2n1CCCCC2 2040447552 UUPFDEIPNCIMOM-UHFFFAOYSA-N 461.784 5.582 50 10 JKGE FC1(F)CCOC[C@H]1[C@H](Br)c1c(Br)sc(Br)c1Cl 2047875380 SZJLHFLITZLJRI-NJGYIYPDSA-N 489.401 6.034 50 10 JKGE O=C(NN=CC=Cc1ccccc1[N+](=O)[O-])c1ccc(NN=CC=Cc2ccccc2[N+](=O)[O-])cc1 2054784808 KCZGNBGUQIFWTD-UHFFFAOYSA-N 484.472 5.043 50 10 JKGE Clc1c(Br)sc(Br)c1[C@H](Br)C[C@@H]1CCC[C@H]2C[C@@H]21 2057346707 QHOOUJRHJDCATI-XSPKLOCKSA-N 477.487 7.189 50 10 JKGE FC(F)(C1CCCCC1)[C@H](Br)c1cc(Br)sc1Br 2065548494 KHVJKXWOJZLWSB-SNVBAGLBSA-N 467.011 6.925 50 10 JKGE BrC[C@H](Nc1ncc(I)cc1Br)C1CCCCC1 2069526674 ZDGZALZZTSZRHV-LBPRGKRZSA-N 488.005 5.204 50 10 JKGE Cc1cc(Br)c(C)c([C@@H](Cl)c2csnc2Br)c1Br 2081055497 UZRULUIEJWRLHL-NSHDSACASA-N 474.443 6.376 50 10 JKGE CC1(C)CC[C@H](CBr)N(C(=O)c2csc(Br)c2Br)C1 2093947206 QXMCFBZVUAVVCQ-MRVPVSSYSA-N 474.056 5.299 50 10 JKGE Clc1cccc(Cl)c1C[C@H](Cl)c1c(Br)sc(Br)c1Cl 2104787930 WADGRBBSRDNJHB-QMMMGPOBSA-N 483.867 7.756 50 10 JKGE BrCc1ccc(Br)cc1N1CC[C@]2(CCCN(Cc3ccccc3)C2)C1 2107016777 FZWAQXQULNHSIG-QFIPXVFZSA-N 478.272 5.837 50 10 JKGE Cl[C@H](c1c(Br)sc(Br)c1Br)[C@H]1CCn2ncnc2C1 2108969500 ONTMXJTZDTVTCK-CDUCUWFYSA-N 490.446 5.170 50 10 JKGE C[C@@H](CCOCc1ccccc1)n1c([C@@H](C)Cl)nc2cc(Cl)c(Br)cc21 2112695955 KSPTULKIDBAVHD-UONOGXRCSA-N 456.211 6.920 50 10 JKGE Clc1ccc(CC[C@H](Br)c2ccc(Br)cc2)cc1Br 2113481740 UKLMQLQNHIGFOD-ZDUSSCGKSA-N 467.426 6.934 50 10 JKGE FC(F)c1ccc([C@@H](Br)c2c(Br)sc(Br)c2Cl)cc1 2116024706 HOPKJDUJCAVGFC-MRVPVSSYSA-N 495.408 7.348 50 10 JKGE Cc1cc(Br)c([C@@H](Br)C2(CC(F)(F)F)CC2)cc1Br 2120196778 MWHLGFYZXBUQPZ-LLVKDONJSA-N 464.945 6.689 50 10 JKGE C[C@@H]1C[C@H](n2c(CCl)nc3cc(I)ccc32)CN(Cc2ccccc2)C1 2127807533 XFOANOZTQQQWSO-QAPCUYQASA-N 479.793 5.463 50 10 JKGE Clc1ccc([C@H](CBr)Cc2ccc(I)c(Cl)c2)cc1 2142940413 NLYAFDFXPVYPQS-LBPRGKRZSA-N 469.975 6.319 50 10 JKGE BrCc1ccc(Br)cc1N1CCCc2ccc(Br)cc21 2145160297 APCCVLWUKJIOFF-UHFFFAOYSA-N 460.007 6.191 50 10 JKGE O=C(N[C@@H](CCBr)C1CCCCC1)c1csc(Br)c1Br 2150344922 WRLXKKJLVFHMMF-NSHDSACASA-N 488.083 5.737 50 10 JKGE C[C@H](c1cnn(Cc2ccccc2)c1)n1c(CCl)nc2cc(Br)c(Cl)cc21 2159865147 QACVLEHAXYYVLS-CYBMUJFWSA-N 464.194 6.045 50 10 JKGE CC(C)(C)OC(=O)N1CCC[C@H]([S@@](C)(=O)=NCCCCCCCCCBr)C1 2163058341 JVDPAZRIPXCUNG-XRHLQHRESA-N 467.514 5.609 50 10 JKGE Cc1c(Br)sc([C@@H](Br)[C@H]2CC23CCC(F)(F)CC3)c1Br 2163395409 GDWYSWOPAULQEK-SCZZXKLOSA-N 493.049 7.233 50 10 JKGE C[C@H](Cl)c1nc2cc(Cl)c(Br)cc2n1-c1csnc1Br 2169014961 GCSWWVVSGVEGNM-YFKPBYRVSA-N 455.990 5.960 50 10 JKGE CC1(C)C[C@H](CBr)CN(C(=O)c2c(Br)cccc2Br)C1 2172577274 HTTDBDCCWJUSRY-SNVBAGLBSA-N 468.027 5.095 50 10 JKGE O=C(N[C@H](CBr)[C@H]1CC=CCC1)c1ccc(Br)cc1Br 2196154100 CNDYSOHPIKLXRE-IINYFYTJSA-N 466.011 5.061 50 10 JKGE Cc1c(Br)sc([C@H](Br)[C@@H]2C[C@@H]2C2CCCCCC2)c1Br 2199989670 OOSGDSDNCNLZLZ-YRGRVCCFSA-N 485.123 7.624 50 10 JKGE Cc1cc(Br)c(C)c([C@H](Br)C2CCCCCCC2)c1Br 2201071034 PBSSTDVMWNXFRT-QGZVFWFLSA-N 467.083 7.625 50 10 JKGE COc1c(Br)cc(C)cc1[C@@H](Cl)c1ccc(F)cc1I 2203815477 VRLXUWJCRXHSMO-AWEZNQCLSA-N 469.519 5.838 50 10 JKGE Cc1ccc([C@H](Br)Cc2ccncc2Br)cc1I 2217858650 BTZSFMMUPMRZAN-GFCCVEGCSA-N 480.969 5.436 50 10 JKGE FC(F)CCCCOc1c(Br)cc(CBr)cc1Br 2222516882 RYVHLVGXMXADEW-UHFFFAOYSA-N 450.943 5.921 50 10 JKGE CCCN[C@@H](c1cc(Br)c(Br)cc1F)[C@H]1C[C@@H](Br)C1 2225628403 GVVIODCVKWVRDU-TVLCNXBWSA-N 458.007 5.565 50 10 JKGE Cc1cc(Br)ccc1[C@@H](Cl)c1cc(Br)c(Br)cc1F 2225633359 IWBPTXGSDFCVCT-CQSZACIVSA-N 471.389 6.750 50 10 JKGE Cc1ccc(I)c([C@H](Cl)[C@H](C)c2ccncc2Br)c1 2232224658 ZRNNIQGNYMKZKX-MEBBXXQBSA-N 450.545 5.841 50 10 JKGE COc1cc([C@H](Br)c2cc(Br)c(Br)cc2F)ccc1C 2233975617 KUBSJYCYAAYJSC-HNNXBMFYSA-N 466.970 6.152 50 10 JKGE ClCc1nc2cc(Br)c(Br)cc2n1Cc1ncc(Cl)s1 2234059789 UXGKWLNTZDCTJQ-UHFFFAOYSA-N 455.990 5.458 50 10 JKGE Cc1cc([C@@H](Cl)c2ccc(Br)c(C)c2Br)cc(C)c1Br 2235682687 AXOXANQTGXNTFD-MRXNPFEDSA-N 481.453 7.228 50 10 JKGE Cc1cc([C@H](Br)c2sc(C)c(C)c2Br)c(Br)s1 2246425168 OSWVKTMYVMNTKF-JTQLQIEISA-N 459.066 6.744 50 10 JKGE COc1ccc([C@H](Br)c2coc(Br)c2)cc1I 2248893678 KWSQSXWXEXHHRB-LBPRGKRZSA-N 471.914 5.140 50 10 JKGE Cc1cc(Br)c([C@H](Cl)c2ccc(I)cc2)c(C)c1F 2264476028 KSCPSVGLQHAGND-CQSZACIVSA-N 453.520 6.138 50 10 JKGE Brc1cc(Br)cc(C[C@H](Br)CCC2CCCCC2)c1 2277960377 HAOGJTODPCAPRJ-CQSZACIVSA-N 453.056 6.878 50 10 JKGE Fc1cc(Br)c(F)c(Br)c1[C@H](Br)CC1CC(C(F)F)C1 2288348410 FEHUNGBZNNSQJQ-KPGICGJXSA-N 482.935 6.607 50 10 JKGE Cc1cc(Cl)cc([C@H](Br)c2c(F)cc(Br)c(F)c2Br)c1 2288493387 RQGKTALHZQSJQM-LBPRGKRZSA-N 489.379 6.936 50 10 JKGE Cc1ccc(-c2ccc(C=C(C#N)C(=O)N3CCN(c4ccccc4)CC3)o2)c(Br)c1 2294171928 KHVXUVPMXRMBTQ-UHFFFAOYSA-N 476.374 5.273 50 10 JKGE O=C(C=Cc1ccc(OCc2ccc(Br)cc2)cc1)Oc1ccc([N+](=O)[O-])cc1 2294655581 ZQUUYOCWZULNJX-UHFFFAOYSA-N 454.276 5.555 50 10 JKGE CC(C=CC=C(C)C=CC1=C(C)[C@@H](OC(=O)CCCC[C@@H]2CCSS2)CCC1(C)C)=CC=O 2294818753 SEJCKAPVVGUQFE-RSXGOPAZSA-N 488.759 7.953 50 10 JKGE COc1cc(Cl)c([C@H](Cl)c2csc(Br)c2Br)c(OC)c1 2294894622 JHEWUYZIXSSJFR-GFCCVEGCSA-N 461.002 6.272 50 10 JKGE COc1c(Br)cc(Cl)c(C)c1[C@@H](Cl)c1sc(C)cc1Br 2295283348 MFPNIMIFBGXVBT-GFCCVEGCSA-N 459.030 6.880 50 10 JKGE Cc1cccc(CSC(Nc2c(C)cc(C)cc2C)=C(C#N)S(=O)(=O)c2ccccc2)c1 2297350164 JSLHXTGZNKZYHE-UHFFFAOYSA-N 462.640 6.432 50 10 JKGE CC1(C)CC[C@@H]([C@H](Br)c2ccc(OCc3ccccc3)cc2Br)C1 2299506300 ALGCJGQCVZCHTA-UZLBHIALSA-N 452.230 7.290 50 10 JKGE Cc1cc(C=C(C#N)C(=O)Nc2cccc(Cl)c2Cl)c(C)n1-c1cccc(Cl)c1Cl 2313571537 YNRDMULHHIRORA-UHFFFAOYSA-N 479.194 7.253 50 10 JKGE N#CC(=Cc1cn(Cc2cccc(Cl)c2)c2ccccc12)C(=O)Nc1cccc([N+](=O)[O-])c1 2313730307 NCQPKIJHBAWRPD-UHFFFAOYSA-N 456.889 5.797 50 10 JKGE Brc1cc(OCc2ccccc2)ccc1[C@H](Br)[C@@H]1C[C@H]2C[C@H]1[C@@H]1C[C@@H]21 2314458651 GVZMJLDCIYOIJS-GIPIVCDJSA-N 462.225 6.756 50 10 JKGE FC1(F)CC[C@@H]2[C@@H]([C@@H](Br)c3cc(Br)ccc3OCc3ccccc3)[C@@H]21 2314501761 AYCCHIMEGKGSSA-AXUOBQJMSA-N 472.167 6.755 50 10 JKGE C=CCNC(=O)C(C#N)=C1S[C@H](Cc2ccc(C(C)C)cc2)C(=O)N1c1ccc(C)c(C)c1 2314593060 GTUZDTBZCNGFOF-XMMPIXPASA-N 459.615 5.155 50 10 JKGE COc1ccc(CN2C(=O)C(=Cc3ccc(-c4cccc(Cl)c4Cl)o3)C(C)=C(C#N)C2=O)cc1 2314616811 KFHYHSWCORZYBH-UHFFFAOYSA-N 493.346 6.054 50 10 JKGE C=CCN1C(=O)C(=Cc2cn(-c3ccccc3)nc2-c2ccc(OC(C)C)c(C)c2)C(C)=C(C#N)C1=O 2314617012 OYPFFWOXDAZXPC-UHFFFAOYSA-N 492.579 5.413 50 10 JKGE CC[C@]1(C)[C@@H](Br)CCN1C(=O)c1csc(Br)c1Br 2315146149 GYVVTZYJMIFSPC-QPUJVOFHSA-N 460.029 5.051 50 10 JKGE Cc1c(Br)sc([C@@H](Br)c2c(Br)nc(C)n2C)c1C 2315600839 WMEUTTKNEHTGSJ-QMMMGPOBSA-N 457.029 5.416 50 10 JKGE COC(=O)c1ccc2c(O)nc(C(C#N)=Cc3cc(C(C)(C)C)c(O)c(C(C)(C)C)c3)nc2c1 2331046437 WTYBAAAVDSJSSQ-UHFFFAOYSA-N 459.546 5.487 50 10 JKGE CC(C)N1C(=O)c2ccc(C(O)=C(C#N)c3nc(-c4cccc5ccccc45)cs3)cc2C1=O 2331338064 XALDTRHNTITOFA-UHFFFAOYSA-N 465.534 5.918 50 10 JKGE Cc1cc(C)c(C)c(-c2csc(C(C#N)=C(O)Cc3ccc(Br)cc3)n2)c1C 2331364739 SFYWLIVKWABNFD-UHFFFAOYSA-N 453.405 6.842 50 10 JKGE CCOc1ccc(OCC)c(-c2csc(C(C#N)=C(O)CCCOc3ccccc3Cl)n2)c1 2331376455 GEZIOTHMYAQMAC-UHFFFAOYSA-N 485.005 6.913 50 10 JKGE CCOc1cc(C=C(C#N)c2nc(-c3ccc(F)cc3F)cs2)ccc1OCc1ccccc1 2331436153 MFEXEDSCJAXNAC-UHFFFAOYSA-N 474.532 7.130 50 10 JKGE N#CC(=Cc1cc(Br)cc(Br)c1O)c1nc(-c2ccccc2)cs1 2331439936 GVXYGWUTDOILGL-UHFFFAOYSA-N 462.166 6.105 50 10 JKGE COc1cc(C=C(C#N)c2nc(-c3ccc(F)c(C)c3)cs2)ccc1OCc1ccccc1 2331447432 SZSPVCQYCDZMJS-UHFFFAOYSA-N 456.542 6.909 50 10 JKGE Fc1cccc(C[C@H](Br)c2ccc(OCc3ccccc3)cc2Br)c1F 2336083296 JBOJIMVHHSGTLF-SFHVURJKSA-N 482.162 6.985 50 10 JKGE Clc1ccc(CC[C@@H](Cl)c2cccc(Br)c2)cc1I 2337219271 RAYZXQGEAOMDSV-CYBMUJFWSA-N 469.975 6.620 50 10 JKGE FC1(F)C2(CC2)C12CC([C@H](Br)c1sc(Cl)cc1I)C2 2338557510 XBVSQEFQWFNIQI-HTARLIKDSA-N 479.555 6.268 50 10 JKGE Clc1cc(I)c([C@@H](Br)c2ccc3c(c2)OCCO3)s1 2338559372 WURTYZOIQHJRBO-LBPRGKRZSA-N 471.541 5.262 50 10 JKGE Cc1c(F)ccc([C@@H](Br)c2ccc(Br)cc2Br)c1Cl 2338769027 ULYOOHNWLJARKW-ZDUSSCGKSA-N 471.389 6.797 50 10 JKGE COc1c(Br)cc(C)c([C@H](Br)C2C[C@H]3C[C@@H]3C2)c1Br 2339650275 DMFQVCYRMBCJPY-JRKPZEMJSA-N 453.012 6.011 50 10 JKGE C[C@@H](Br)C12CCC(CC1)N2Cc1ccc(Cl)cc1I 2341040228 FIZHZINSWFCMEH-ZZJLNTIPSA-N 454.577 5.225 50 10 JKGE Clc1cc(Cl)cc(CC[C@@H](Br)c2cc(Br)c(Cl)s2)c1 2341184629 SEAPQXXZGNKWFX-SNVBAGLBSA-N 463.449 7.540 50 10 JKGE COc1cc(Br)c(OC[C@]2(CBr)CC2(F)F)cc1Br 2351789470 IOLCKVYGHVHRDS-LLVKDONJSA-N 464.926 5.019 50 10 JKGE Fc1cc(Cl)c(Br)c(Cl)c1[C@@H](Cl)Cc1ccc(Br)cc1 2360491689 CYTQBQVVHWRKQO-VIFPVBQESA-N 461.383 7.180 50 10 JKGE FC(F)(F)[C@@H]1C[C@@H](Br)CCN1Cc1cc(Cl)ccc1I 2361417003 KHTFFOHVGFAMMG-CABZTGNLSA-N 482.509 5.235 50 10 JKGE Cc1cc(Br)c(F)c(Br)c1[C@@H](Br)C[C@@H]1COC(C)(C)C1 2365191402 NUMDQSXWKFEPTO-UWVGGRQHSA-N 473.018 6.300 50 10 JKGE Cc1cc(Br)c(F)c(Br)c1[C@@H](Br)c1ccc(F)c(F)c1 2365214792 DSZPHDOFKKSELQ-LBPRGKRZSA-N 472.924 6.422 50 10 JKGE O=C(Nc1ccc(CCl)c(F)c1)c1cc(I)ccc1Br 2367683717 ZIVQRNRHUYYQID-UHFFFAOYSA-N 468.491 5.184 50 10 JKGE C[C@H](Br)CN(CCC(C)(C)C)Cc1cc(I)ccc1Cl 2380531222 MLCWBCNPHOVZBU-LBPRGKRZSA-N 472.636 5.966 50 10 JKGE Cc1cc(C)c([C@H]2[C@H]3CCCC=C3C(C#N)=C(N)C2(C#N)C#N)cc1COc1ccccc1Cl 2727635 YCWAWUFENNXTOP-HFZDXXHNSA-N 468.988 6.129 50 10 JKGE COc1ccc(CN(C(=O)CCl)[C@H](C(=O)NC2CCCCC2)c2ccc(Cl)cc2)cc1 3035137 BBQHNEFJQVWVHR-QHCPKHFHSA-N 463.405 5.106 50 10 JKGE O=C(NC1CCCCC1)[C@H](c1cccc(Br)c1)N(Cc1ccccc1)C(=O)CCl 3040214 XNUFFQSUPPZIPQ-QFIPXVFZSA-N 477.830 5.207 50 10 JKGE CCCCOc1ccc(Br)cc1C(=O)NNC(=O)c1ccccc1OCc1ccccc1 14649895 MBLPLKSVTQVGIQ-UHFFFAOYSA-N 497.389 5.282 50 10 JKGE O=C(N/N=C/c1ccc(N2N=C(/C=C/c3ccccc3)C[C@H]2c2ccccc2)cc1)c1ccncc1 15775695 WLZZNVJPWDXDQS-HYYXJWAWSA-N 471.564 5.866 50 10 JKGE Cc1ccc(NC(=O)/C(C#N)=C\c2ccc(-c3ccc(Br)cc3)o2)c([N+](=O)[O-])c1 33248185 IAKPGVXJDMFKLS-PTNGSMBKSA-N 452.264 5.471 50 10 JKGE C/C(=N/NC(=O)c1ccc(CSc2nc(C)cc(C)n2)cc1)c1ccccc1OC(F)F 34714326 LGFAJLYGCISWOD-NTFVMDSBSA-N 456.518 5.141 50 10 JKGE COC(=O)c1cc(C)sc1NC(=O)/C(C#N)=C\c1ccc(OCc2ccccc2F)cc1 34988113 GLRMSLKOWASMOV-PDGQHHTCSA-N 450.491 5.107 50 10 JKGE COc1nc(-c2cccc(C(F)(F)F)c2)n(-c2ccc(NC(=O)[C@@H](Cl)c3ccccc3)cc2)n1 35794123 OQKHXFYXVXMCPE-FQEVSTJZSA-N 486.881 5.880 50 10 JKGE CCCCCCN1C(=O)C(C#N)=C(C)/C(=C\c2ccc(OCc3ccccc3Cl)c(OC)c2)C1=O 38604239 XQEOZSOQAGJLEH-PXLXIMEGSA-N 493.003 6.100 50 10 JKGE COc1ccccc1[C@H]1C(C#N)=C(N)Oc2cc(OC(=O)COc3cc(C)c(Cl)c(C)c3)ccc21 38650051 ICKXRBHATGZXQA-RUZDIDTESA-N 490.943 5.168 50 10 JKGE COc1cccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)COc4cc(C)c(Cl)c(C)c4)ccc32)c1 38650205 BNXPMKHSUNWVFN-RUZDIDTESA-N 490.943 5.168 50 10 JKGE CCOC(=O)/C(C#N)=C/c1cccc(OC(=O)COc2ccc(C(C)(C)c3ccccc3)cc2)c1 40934654 MZSROWPMHIGZQH-OQKWZONESA-N 469.537 5.467 50 10 JKGE COc1ccc(NCCCC(=O)N/N=C/c2ccccc2OCc2ccccc2Cl)cc1 58986447 DWJADMSAPRRGDO-OGLMXYFKSA-N 451.954 5.270 50 10 JKGE CC(C)c1cc(C(C)C)c(-c2cccc(P(c3ccccc3)c3ccccc3)n2)c(C(C)C)c1 59353947 WESULJCAKZPZCP-UHFFFAOYSA-N 465.621 7.877 50 10 JKGE COc1cc(Cl)c(/C=N/NC(=O)c2ccc(NC(=O)c3ccc(C(C)(C)C)cc3)cc2)cc1OC 66202215 PGXPSWZKHCGYJK-MUFRIFMGSA-N 493.991 5.671 50 10 JKGE N#C/C(=C(\Nc1ccccc1Cl)SCc1ccccc1F)S(=O)(=O)c1ccccc1 96482137 IJGMMTQLEUUTLO-DQRAZIAOSA-N 458.967 5.991 50 10 JKGE CC1=C(C#N)C(=O)N(Cc2ccco2)C(=O)/C1=C/c1ccc(-c2cc(Cl)ccc2Cl)o1 101336782 ASXZDBLYOVMJPN-LICLKQGHSA-N 453.281 5.639 50 10 JKGE Cc1ccc(N2C(=O)[C@H](Cc3ccc(Cl)cc3)S/C2=C(/C#N)C(=O)Nc2ccc(F)cc2)cc1 102765566 WYVSQOYOLDKFOH-YDYXIROLSA-N 491.975 5.853 50 10 JKGE Cc1ccc([C@H](Br)c2cc(Br)c(C)cc2Br)cc1F 128779043 YESUFWRNTNQCNJ-HNNXBMFYSA-N 450.971 6.452 50 10 JKGE Cc1cccc(C(CBr)(CBr)Cc2cccc(F)c2Br)c1 157924814 LIOBOBWVVXNNSX-UHFFFAOYSA-N 479.025 6.167 50 10 JKGE CCOc1cc(/C=N\NC(=O)Nc2cccc(Cl)c2)ccc1OCc1cc(C)ccc1C 169939775 WXWAUTWHAPMDCR-DICXZTSXSA-N 451.954 6.090 50 10 JKGE CCOC(=O)c1c(-c2ccc(C)cc2C)csc1NC(=O)/C(C#N)=C\c1ccccc1OC 207133890 LWMVEGAVERQCRD-UYRXBGFRSA-N 460.555 5.763 50 10 JKGE Cc1cc(I)ccc1NC(=O)/C(C#N)=C\Nc1ccc2ccccc2c1 217254133 PRGRCWIMBOQPIX-LGMDPLHJSA-N 453.283 5.211 50 10 JKGE CCOc1ccc([C@H](Br)c2ccccc2I)cc1Br 228995969 YBUKMEKIYFXIPB-HNNXBMFYSA-N 495.980 5.937 50 10 JKGE C[C@H](NC(=O)NC[C@@]1(C)C[C@H](N=C=O)CC(C)(C)C1)C1(c2ccc(Br)cc2)CC1 229111227 PEFLRAACNSEDAH-NBCNXNJRSA-N 462.432 5.089 50 10 JKGE Cc1cc([C@@H](Br)c2cc(Br)sc2Br)c(C)cc1Cl 235862507 UJONUJDSFGLKQG-GFCCVEGCSA-N 473.455 7.028 50 10 JKGE Clc1ccccc1COc1c(Br)cc(CBr)cc1Br 236038315 NLFWFWPYKZEONN-UHFFFAOYSA-N 469.398 6.339 50 10 JKGE CN(c1ccccc1)c1ccc(C=NNC(=O)c2ccc(OCc3ccc(Cl)cc3)cc2)cc1 252628186 SKEPMYAFFUMTHK-UHFFFAOYSA-N 469.972 6.451 50 10 JKGE O=C(NN=Cc1c(O)ccc2ccccc12)c1cc(-c2ccccc2OCc2ccccc2)n[nH]1 254762022 AJJWGBZVCIYWIS-UHFFFAOYSA-N 462.509 5.278 50 10 JKGE C[C@@H](C(=O)Nc1cccc(-c2nc(CCl)cs2)c1)N(Cc1ccccc1)Cc1ccccc1 310713684 CWFIACYHFMYEPB-FQEVSTJZSA-N 476.045 6.578 50 10 JKGE CC(C)(C)OC(=O)N1CC[C@H](c2ccc(CO[Si](C)(C)C(C)(C)C)cc2)c2ccccc21 616676118 UIOIBIVKGZCAJC-JOCHJYFZSA-N 453.699 7.486 50 10 JKGE COc1ccc([C@H](Br)c2ccc(I)c(Br)c2)cc1F 721616528 UUQWXHLPGJXAID-CQSZACIVSA-N 499.943 5.686 50 10 JKGE Fc1cc(Br)c([C@@H](Cl)c2cccc(F)c2I)c(F)c1F 721720103 RTQVYKLCZDSGNV-JTQLQIEISA-N 479.436 5.938 50 10 JKGE Cc1ccc(C)c(NC(=O)/C(C#N)=C\c2ccc(OCc3ccccc3C#N)c(Br)c2)c1 1083988380 MJPSQOUKGMCSDI-UUYOSTAYSA-N 486.369 6.062 50 10 JKGE C=CCc1cc(C=NNC(=O)CC[C@H](O)c2ccc(OCC)cc2)ccc1OCc1ccc(F)cc1 1084401845 YNBHJZSTPOTKCG-MHZLTWQESA-N 490.575 5.496 50 10 JKGE Cc1cc(C)cc(CSCC(=O)NN=Cc2ccc(OCc3ccc([N+](=O)[O-])cc3)cc2)c1 1084583891 ZRIPWHVNOYYYQR-UHFFFAOYSA-N 463.559 5.174 50 10 JKGE Cc1cc(C)c2c(CC(=O)NN=C3CCCc4oc(C(=O)N5CCC(C)CC5)c(C)c43)coc2c1 1772751820 NKBZSVIJTWXFLT-UHFFFAOYSA-N 475.589 5.222 50 10 JKGE N#CC1=C(N)Oc2c(c(C(F)(F)F)nn2-c2cccc(Cl)c2)[C@H]1c1cccc(Cl)c1 1865683500 LEQVKKULNVUDGJ-HNNXBMFYSA-N 451.235 5.416 50 10 JKGE N#CC1=C(N)Oc2c(c(-c3ccccc3)nn2Cc2c(F)cccc2Cl)[C@@H]1c1ccccc1F 1865683890 PPGWMWFOZCYQLR-JOCHJYFZSA-N 474.898 5.748 50 10 JKGE N#CC1=C(N)Oc2c(c(C(F)(F)F)nn2Cc2cccc(F)c2)[C@H]1c1ccc(Cl)cc1Cl 1865685334 HDPMJOYYVGTTIQ-INIZCTEOSA-N 483.252 5.614 50 10 JKGE CCCc1nn(Cc2cc(C)ccc2C)c2c1[C@@H](c1ccc(OCC)c(OCC)c1)C(C#N)=C(N)O2 1865688795 AYTUKDIMYOBTHJ-SANMLTNESA-N 486.616 5.516 50 10 JKGE CCCOc1ccc([C@@H]2C(C#N)=C(N)Oc3c2c(C(F)(F)F)nn3Cc2cccc(Cl)c2)cc1 1865693402 JJYZANUSHHHQGZ-LJQANCHMSA-N 488.897 5.611 50 10 JKGE CCCOc1cccc([C@@H]2C(C#N)=C(N)Oc3c2c(C(F)(F)F)nn3Cc2cccc(F)c2)c1 1865694117 PUVGBSIYXGEIRU-LJQANCHMSA-N 472.442 5.096 50 10 JKGE CCCc1nn(Cc2ccc(Cl)c(Cl)c2)c2c1[C@H](c1ccc3c(c1)OCCO3)C(C#N)=C(N)O2 1865698254 OPRHDNWJKQWVCD-JOCHJYFZSA-N 497.382 5.180 50 10 JKGE CCCc1nn(Cc2cc(C)ccc2C)c2c1[C@H](c1cc(Br)ccc1F)C(C#N)=C(N)O2 1865701862 GXPKZLUPROVTAA-JOCHJYFZSA-N 495.396 5.621 50 10 JKGE COc1ccc(-c2nn(-c3ccccc3)c3c2[C@H](c2ccc(Cl)c([N+](=O)[O-])c2)C(C#N)=C(N)O3)cc1 1865706500 XZQJRYOMAYKXJT-JOCHJYFZSA-N 499.914 5.328 50 10 JKGE CCc1ccc([C@H]2C(C#N)=C(N)Oc3c2c(-c2ccccc2)nn3-c2cccc3ccccc23)cc1 1865708873 IAQVDDWGYLJTNV-MHZLTWQESA-N 468.560 6.473 50 10 JKGE CCCc1nn(Cc2c(F)cccc2Cl)c2c1[C@@H](c1ccc(C(F)(F)F)cc1)C(C#N)=C(N)O2 1865710820 JFYHKVAWRAMZAQ-FQEVSTJZSA-N 490.888 5.913 50 10 JKGE COc1ccc(-c2nn(-c3ccc(C)cc3)c3c2[C@H](c2ccc(OC)cc2)C(C#N)=C(N)O3)cc1 1865712543 BBOUFCSJBMCWOB-XMMPIXPASA-N 464.525 5.083 50 10 JKGE Cc1nc(-c2ccc(Cl)c(Cl)c2)ccc1C(=O)NNC(=O)CCC(=O)c1ccc(Cl)cc1 1865759158 LGPHDZDRDXZWSN-UHFFFAOYSA-N 490.774 5.441 50 10 JKGE CCOC(=O)c1c(NC(=O)/C(C#N)=C/c2cccc(Cl)c2)sc(C(=O)OCC(C)C)c1C 1866130027 WYOPMZAGGQCIGB-CXUHLZMHSA-N 474.966 5.245 50 10 JKGE CCc1nc(Nc2ccc(SC#N)cc2)cc(N2CCO[C@@H](c3ccc(Br)cc3)C2)n1 1868278174 VGIUJTWUMSQQCY-HXUWFJFHSA-N 496.434 5.696 50 10 JKGE Cc1ccccc1-c1nc(Nc2ccc(SC#N)cc2)cc(N2CCc3nc[nH]c3[C@@H]2C(C)C)n1 1868300307 AXHDIJSVKDWHAZ-SANMLTNESA-N 481.629 6.252 50 10 JKGE CCCc1nc(Nc2ccc(SC#N)cc2)cc(N2C[C@H](c3ccc(F)cc3)O[C@H](C)C2)n1 1868388335 ITBGYFAMPSVVDH-VGOFRKELSA-N 463.582 5.851 50 10 JKGE CCCc1nc(Nc2ccc(SC#N)cc2)cc(N2CC[C@@H](c3ccc4c(c3)OCO4)C2)n1 1868388606 LYDFUMXPGMNPDQ-GOSISDBHSA-N 459.575 5.468 50 10 JKGE Cc1nc(Nc2ccc(SC#N)cc2)cc(N2CCC[C@H](C(=O)CCCc3ccccc3)C2)n1 1868480050 DRGONNJETHWCMZ-QFIPXVFZSA-N 471.630 5.910 50 10 JKGE N#C/C(=C(/O)c1ccc2c(c1)C(=O)N(Cc1ccccc1)C2=O)c1nc(-c2ccc(Cl)cc2)cs1 1872748205 NDGMVOAXALRZSN-GYHWCHFESA-N 497.963 6.210 50 10 JKGE Cc1cc(OCCC/C(O)=C(\C#N)c2nc(-c3ccc(Cl)c(Cl)c3)cs2)cc(C)c1Cl 1872749240 IAPGXZDEEQWDLK-FXBPSFAMSA-N 493.843 8.039 50 10 JKGE CCCCc1ccc(N2C[C@@H](/C(O)=C(\C#N)c3nc(-c4ccc(F)c(C)c4)cs3)CC2=O)cc1 1872749918 NRBABCCXGSZJJY-QXUWJFDOSA-N 475.589 6.446 50 10 JKGE Cc1cc(C)c(C)c(-c2csc(/C(C#N)=C(\O)CN3C(=O)c4cccc([N+](=O)[O-])c4C3=O)n2)c1C 1872754464 UDUOVBKPMITDCA-JZJYNLBNSA-N 488.525 5.041 50 10 JKGE COc1c(Cl)cc(-c2csc([C@H](C#N)C(=O)/C(C#N)=C/c3ccccc3)n2)cc1Cl 1872785145 GRDOWIQNXDGXHB-UBYXTUIOSA-N 454.338 5.909 50 10 JKGE COc1cc(/C=C(\C#N)c2nc(-c3ccc(F)c(F)c3)cs2)ccc1OC(=O)c1ccccc1 1872793340 VIDAWZJFVILGCY-YBFXNURJSA-N 474.488 6.380 50 10 JKGE CC[C@@H](C)N1C(=O)c2ccc(/C(O)=C(\C#N)c3nc(-c4cccc([N+](=O)[O-])c4)cs3)cc2C1=O 1873941033 STMPHZKBJCLTCI-IUXHBZJFSA-N 474.498 5.063 50 10 JKGE C[C@@H](CBr)N(Cc1ccccc1)C(=O)c1csc(Br)c1Br 1914232368 OZELGVLYSLJOGT-JTQLQIEISA-N 496.062 5.699 50 10 JKGE CC(C)[C@H](CBr)N(Cc1ccccc1)C(=O)c1cc(C(F)(F)F)ccc1Cl 1915267400 HAVGHETVSRDJAJ-SFHVURJKSA-N 462.737 6.421 50 10 JKGE Cc1cc([C@@H](Br)c2cc(Cl)c(Cl)c(Cl)c2Cl)oc1Br 1917604698 SXGRMCKGIJQYEA-QMMMGPOBSA-N 467.799 7.448 50 10 JKGE Cn1cc(Br)c([C@H](Br)c2sc(Br)cc2Br)n1 1922897062 KQSWOGHCJCGQBT-ZETCQYMHSA-N 493.844 5.253 50 10 JKGE Cl[C@H](c1c(Br)sc(Br)c1Br)[C@@H]1CC[C@@H]2C[C@H]2C1 1924605368 PZPUOCMOBXXHGB-JQCUSGDOSA-N 463.460 6.752 50 10 JKGE Clc1sc(Br)c(Cl)c1[C@@H](Br)c1ccc2ccccc2c1 1925599084 LXOFLBBTOPJYGI-LBPRGKRZSA-N 451.010 7.455 50 10 JKGE Clc1cc([C@H](Br)c2cc(Br)cs2)sc1Br 1961681111 WCTFODBQGKZGQT-MRVPVSSYSA-N 451.430 6.472 50 10 JKGE COCc1cc(Br)c([C@@H](Cl)c2csc(Br)c2Br)s1 2032958812 MNQSLRKUYYRYBR-VIFPVBQESA-N 495.483 6.572 50 10 JKGE Clc1ccc([C@H](Br)c2c(Br)cccc2Br)c(Cl)c1 2033084657 RYQIGRIBJPINNB-ZDUSSCGKSA-N 473.817 7.003 50 10 JKGE Fc1cc(Cl)c(Br)cc1[C@H](Br)c1scc(Cl)c1Cl 2036569283 UFDNQUTWLYZBGF-VIFPVBQESA-N 453.385 7.094 50 10 JKGE CC1(C)OCCO[C@H]1[C@H](Br)c1c(Br)sc(Br)c1Cl 2066674164 KATKBFSMGXHZKO-SVRRBLITSA-N 483.447 5.557 50 10 JKGE CC(C)(C)OC(=O)N1CCC[C@](CI)(OC[C@@H]2CC23CCCCC3)C1 2077648813 KHJILBHQJJRLGO-OXJNMPFZSA-N 463.400 5.178 50 10 JKGE CC(C)(C)c1cncc(-n2nc(CBr)c(I)c2C(F)(F)F)c1 2078934506 PWYJLEBXCGBWBS-UHFFFAOYSA-N 488.089 5.083 50 10 JKGE Cc1cc(Br)c(C)c([C@@H](Br)CCC(F)(F)F)c1Br 2081071937 QPYPBLPYLLVDOX-QMMMGPOBSA-N 452.934 6.607 50 10 JKGE Cc1sc(Br)c([C@@H](Br)c2ccc(Br)c(Cl)c2)c1C 2082884197 JWEMXNVVLIRDRF-LBPRGKRZSA-N 473.455 7.028 50 10 JKGE CCN(C[C@@](C)(CBr)OCc1cc(F)ccc1Br)C(=O)OC(C)(C)C 2085379246 VKPKWACIHPTDHC-GOSISDBHSA-N 483.216 5.515 50 10 JKGE CC1(C)CCN(C(=O)c2cc(Br)sc2Br)C[C@H]1CBr 2092240456 ODBSEMHAAPNJLZ-MRVPVSSYSA-N 474.056 5.156 50 10 JKGE ClCc1cccc(Br)c1OCc1c(Br)cccc1Br 2094090358 GNKTVGOXVKCYQN-UHFFFAOYSA-N 469.398 6.292 50 10 JKGE Brc1cccc(CN2C[C@H](Br)CCC23CCC3)c1Br 2117903575 NBRRDMRYXSNLPI-GFCCVEGCSA-N 452.028 5.494 50 10 JKGE C[C@@H](CBr)[C@@H]1CCCCN1Cc1cc(Br)ccc1Br 2118518873 DFQWYDYWQISITG-NHYWBVRUSA-N 454.044 5.597 50 10 JKGE CCn1cc(Br)c([C@H](Br)c2sc(COC)cc2Br)n1 2124768241 FRORXMJXJQQWCT-JTQLQIEISA-N 473.028 5.120 50 10 JKGE FC1(F)C2(CC2)C12CC([C@H](Br)c1cc(Br)c(Br)s1)C2 2127511783 LSAWFWPRAASGLC-HTARLIKDSA-N 477.006 6.535 50 10 JKGE C[C@H](Br)CCc1cn(-c2c(Br)cc(Cl)cc2Br)nn1 2132758810 XNPDFTDKCJGRIM-ZETCQYMHSA-N 472.406 5.162 50 10 JKGE C[C@]1(Br)CN(c2c(CBr)ccc(Br)c2Cl)C[C@@]1(C)F 2140745119 YJXOGDUVZQAVIV-QWHCGFSZSA-N 478.425 5.699 50 10 JKGE COc1ccc([C@H](Br)c2cc(C)cc(Br)c2F)cc1Br 2145599568 DQQNIWIDXLKCRC-AWEZNQCLSA-N 466.970 6.152 50 10 JKGE Fc1cc(Br)ccc1C[C@@H](Br)c1cc(Br)c(Cl)cc1F 2154119655 DPNCNVQZEWGEER-SNVBAGLBSA-N 489.379 6.822 50 10 JKGE CC1(C)C[C@@H](n2c(CCl)nc3cc(Br)c(Cl)cc32)CN1Cc1ccccc1 2159873523 HVYLTZOYGOSDOQ-OAHLLOKOSA-N 467.238 6.417 50 10 JKGE COc1cc(F)c(Br)cc1[C@H](Br)c1c(Cl)cccc1Br 2169459730 CSIZIZFVPXCYCH-AWEZNQCLSA-N 487.388 6.497 50 10 JKGE C[C@@H]1CN(C(=O)c2cc(Br)cc(Br)c2)CC[C@H]1CCBr 2172472998 JHRCJIFVSRPXGZ-GHMZBOCLSA-N 468.027 5.095 50 10 JKGE COc1cc([C@@H](Br)[C@H](C)c2ccncc2Br)ccc1Br 2192156066 NZASJIGXFKXELR-PSLIRLAXSA-N 463.995 5.855 50 10 JKGE Cc1ccc(Cl)c([C@@H](Br)c2c(C)c(Br)cc(C)c2Br)c1 2201068368 QUJSCTRKFBPFQQ-MRXNPFEDSA-N 481.453 7.275 50 10 JKGE Cc1cc(Br)c(C)c([C@@H](Br)C2(C)CCCCCC2)c1Br 2201076249 FLVXDWHXQINDPI-MRXNPFEDSA-N 467.083 7.625 50 10 JKGE COc1cc(Cl)c([C@@H](Br)c2c(Cl)cccc2Cl)cc1Br 2202345319 CLAORYMJYFNPPP-CQSZACIVSA-N 459.392 6.902 50 10 JKGE Cc1ccc([C@@H](Br)c2cc(C)c(Br)s2)cc1I 2212992764 SFWLCBFOECLNDD-GFCCVEGCSA-N 486.010 6.216 50 10 JKGE Fc1cc(Br)c(Br)cc1[C@H](Br)c1coc(Br)c1 2213488435 DXNBOWSCIRQTSA-LLVKDONJSA-N 491.774 6.191 50 10 JKGE Cc1c(Br)sc([C@H](Cl)c2cc(Br)sc2Br)c1C 2213626691 GRCQQUQRCCNYAB-MRVPVSSYSA-N 479.484 7.042 50 10 JKGE CCN(C[C@@](C)(CI)O[C@@H]1CCCC(F)(F)C1)C(=O)OC(C)(C)C 2216582887 OENLFIMZVVIMKK-CZUORRHYSA-N 461.331 5.032 50 10 JKGE Clc1cccc([C@@H](Br)c2c(Br)cc(Cl)c(Cl)c2Cl)c1 2224301687 CRSFDCOAVVHUNK-LLVKDONJSA-N 463.811 7.547 50 10 JKGE CC[C@H](CC(C)C)[C@H](Br)c1c(Br)cc(Cl)c(Cl)c1Cl 2224313992 WMELMAFZTQGIIR-PELKAZGASA-N 451.457 7.918 50 10 JKGE Cc1c(F)cccc1[C@@H](Br)c1cc(Br)c(Br)cc1F 2225635567 WFELLRADRXDCMY-CQSZACIVSA-N 454.934 6.283 50 10 JKGE Cc1sc([C@@H](Cl)c2ccc(Br)c(C)c2Br)c(Br)c1C 2229324251 VZNSTYSYLMEFSG-ZDUSSCGKSA-N 487.482 7.289 50 10 JKGE Fc1cc(Br)c(Br)cc1[C@H](Br)[C@]12CCCC[C@@H]1OCC2 2233978057 YMGBZXRCTFWQNM-KKUMJFAQSA-N 471.002 6.136 50 10 JKGE Fc1ccc([C@H](Br)c2ccc([C@@H]3CCOC3)s2)c(I)c1 2240425739 BZXOKYZQPPSULE-PSLIRLAXSA-N 467.141 5.480 50 10 JKGE Clc1cscc1[C@@H](Br)Cc1cc(Br)cc(Br)c1 2252837618 RSNQBTNLVMKPKP-NSHDSACASA-N 459.428 6.605 50 10 JKGE CCN(C[C@@](C)(CI)OCC[C@@H]1CCCC12CC2)C(=O)OC(C)(C)C 2255319341 DCTSABDIXQDEHK-QFBILLFUSA-N 465.416 5.424 50 10 JKGE Clc1ccc([C@H](Cl)Cc2ccncc2Br)cc1I 2256337441 DGXXDCRWRBAAJR-GFCCVEGCSA-N 456.936 5.625 50 10 JKGE FC(F)(F)c1csc([C@@H](Br)c2cocc2Br)c1Br 2258095762 HICHCQDZQUODJR-ZETCQYMHSA-N 468.914 6.369 50 10 JKGE COc1c([C@@H](Br)c2sc(Br)c(C)c2Br)csc1C 2259054203 VZJBYVNPTCAKTP-SECBINFHSA-N 475.065 6.444 50 10 JKGE Cc1c([C@H](Cl)Cc2cc(Br)cc(Br)c2)nn(C)c1Br 2277961319 RQCXYAFVPUJKHI-LLVKDONJSA-N 471.418 5.539 50 10 JKGE CC(C)c1cc(Br)cc([C@@H](Cl)c2ccc(Br)cc2Br)c1 2280667336 GRQSZMLIBSJYKB-MRXNPFEDSA-N 481.453 7.426 50 10 JKGE C[C@@H](Br)C[C@H]1CCCCN1C(=O)c1ccc(Cl)c(I)c1 2283656861 PTKOMNDXWAINGI-ZYHUDNBSSA-N 470.576 5.113 50 10 JKGE COc1ccccc1[C@H](Br)c1c(F)cc(Br)c(F)c1Br 2288493520 UJCLSPOBSMQIFP-LBPRGKRZSA-N 470.933 5.983 50 10 JKGE CCOc1ccc(NC(=O)C(C#N)=Cc2c(Oc3cccc(C)c3C)nc3ccccn3c2=O)cc1 2296543579 NVVDDNZMGWBDRQ-UHFFFAOYSA-N 480.524 5.048 50 10 JKGE CCOC(=O)c1c(-c2ccc(Cl)cc2)csc1NC(=O)C(C#N)=Cc1cccc([N+](=O)[O-])c1 2296818971 GYDANUNGUYTPKP-UHFFFAOYSA-N 481.917 5.699 50 10 JKGE Cc1ccc(C)c(NC(SCc2ccc(F)cc2)=C(C#N)S(=O)(=O)c2ccccc2)c1 2297350125 XWRZZAHDHWAIRO-UHFFFAOYSA-N 452.576 5.954 50 10 JKGE COc1cc(C=C(C#N)C(=O)Nc2ccc(Cl)cc2[N+](=O)[O-])ccc1OCc1ccc(F)cc1 2297551522 PAAIIWLRXVAGMA-UHFFFAOYSA-N 481.867 5.521 50 10 JKGE O=C(O)C=Cc1cccc(NC=C[P+](c2ccccc2)(c2ccccc2)c2ccccc2)c1 2297661549 UYPRPJJBJSZMPR-UHFFFAOYSA-O 450.498 5.662 50 10 JKGE Cc1cc([C@H](Cl)c2ccc(OCc3ccccc3)cc2Br)c(Br)s1 2299488212 DXHTVPJQUXOHNI-GOSISDBHSA-N 486.656 7.489 50 10 JKGE Cc1ccc(NC(=O)C(C#N)=Cc2ccc(OCc3cccc([N+](=O)[O-])c3)c(Br)c2)cc1 2313567872 MSQSMGRBDDBEBO-UHFFFAOYSA-N 492.329 5.790 50 10 JKGE COc1ccc(NC(=O)C(C#N)=Cc2cc(Cl)ccc2OCc2cccc(Cl)c2)cc1 2313738687 OPUZJYOWJSPINY-UHFFFAOYSA-N 453.325 6.127 50 10 JKGE N#CC(=Cc1ccc(OC(=O)C=Cc2ccccc2)cc1)c1nc(-c2ccc(F)cc2)cs1 2314548641 KXIHIYPHIYFBLC-UHFFFAOYSA-N 452.510 6.632 50 10 JKGE CCc1ccc(N2C(=O)[C@@H](Cc3cccc(C)c3)SC2=C(C#N)C(=O)Nc2ccccc2OC)cc1 2314592607 YMAPDKWHFZKBAD-AREMUKBSSA-N 497.620 5.631 50 10 JKGE CCCCCCCOc1ccc(C=C2C(=O)N(CC(C)C)C(=O)C(C#N)=C2C)cc1OCC 2314609934 ABNVZYFGXPKALT-UHFFFAOYSA-N 452.595 5.683 50 10 JKGE CCCCCCOc1ccc(C=C(C#N)C(=O)Nc2ccc(Cl)c([N+](=O)[O-])c2)cc1OC 2314730560 FQSQOYOLUOGHRA-UHFFFAOYSA-N 457.914 5.762 50 10 JKGE COc1ccc(C=C(C#N)C(=O)N(c2cc(C)ccc2C)S(=O)(=O)c2ccc(Cl)cc2)cc1 2314777821 WMXADGVFAJSDDX-UHFFFAOYSA-N 480.973 5.295 50 10 JKGE Brc1cc([C@H](Br)[C@H]2C[C@H]3CCC[C@H]2CC3)sc1Br 2316784473 BGYATLMSYANMAG-AVWBDOJWSA-N 457.069 6.926 50 10 JKGE Cc1cc(Br)c(F)c(Br)c1[C@@H](Br)c1ccsc1Cl 2317402896 JDOJVCKOZANODW-VIFPVBQESA-N 477.418 6.858 50 10 JKGE FC1CC(CBr)(COCc2ccc(I)c(Br)c2)C1 2325382362 WEYDDQWQAWFEMG-UHFFFAOYSA-N 491.964 5.084 50 10 JKGE Cc1ccc2nc(C(C#N)=Cc3ccc(N4N=C(c5ccccc5)C[C@H]4c4ccccc4)cc3)[nH]c2c1 2331018483 ZUQDHSZPGMZHLU-HKBQPEDESA-N 479.587 7.291 50 10 JKGE N#CC(=Cc1c(OCc2ccc(F)cc2)ccc2ccccc12)c1cc2c(cc1[N+](=O)[O-])OCCO2 2331051458 WPUZPXCXOATRHO-UHFFFAOYSA-N 482.467 6.301 50 10 JKGE CC(C)c1ccccc1O[C@H](C)C(O)=C(C#N)c1nc(-c2ccc(-c3ccccc3)cc2)cs1 2331231782 BWSPYOZISRDKOK-HXUWFJFHSA-N 466.606 7.861 50 10 JKGE CCCOc1ccc(-c2csc(C(C#N)=C(O)Cc3ccc(OC)cc3OC)n2)cc1OCCC 2331293258 NSHUIINCSNKNKP-UHFFFAOYSA-N 494.613 6.440 50 10 JKGE CCc1cccc(C)c1N1C[C@@H](C(O)=C(C#N)c2nc(-c3ccc(Cl)cc3)cs2)CC1=O 2331299316 TYWRTHDLKRYIQR-SFHVURJKSA-N 463.990 6.180 50 10 JKGE CC(C)(C)c1ccc(-c2csc(C(C#N)=C(O)[C@@H]3CC(=O)N(Cc4ccccc4)C3)n2)cc1 2331332034 XOZOWINWOTVVBP-HXUWFJFHSA-N 457.599 5.949 50 10 JKGE COc1cc(C(O)=C(C#N)c2nc(-c3ccc(OC)c(C)c3C)cs2)c([N+](=O)[O-])cc1OC 2331362829 NIRAUIADGBTXHU-UHFFFAOYSA-N 467.503 5.311 50 10 JKGE CCOc1ccc(-c2csc(C(C#N)=C(O)[C@@H](C)Oc3ccc(Cl)cc3)n2)c(OCC)c1 2331386597 QRIMGRSCUKFBLG-OAHLLOKOSA-N 470.978 6.521 50 10 JKGE COc1cc(C(O)=C(C#N)c2nc(-c3cc(Cl)ccc3Cl)cs2)c([N+](=O)[O-])cc1OC 2331405289 BYKSVUSBSGEJOY-UHFFFAOYSA-N 478.313 5.992 50 10 JKGE COc1ccc(-c2csc(C(C#N)=C(O)CCCOc3ccccc3Cl)n2)c2ccccc12 2331406492 RXWQELBWVOTRNE-UHFFFAOYSA-N 476.985 7.277 50 10 JKGE CCOc1ccc(-c2csc(C(C#N)=Cc3ccc(OC(=O)c4ccccc4)cc3)n2)cc1 2331441099 YOHKUETYEGSYKA-UHFFFAOYSA-N 452.535 6.492 50 10 JKGE CCOc1cc(C=C(C#N)c2nc(-c3ccc(F)c(C)c3)cs2)cc(Br)c1O 2331447373 LWWZZTUSJGGQFN-UHFFFAOYSA-N 459.340 6.189 50 10 JKGE Fc1cc(Cl)c(Br)c(Cl)c1[C@@H](Cl)c1ccccc1OCc1ccccc1 2335301441 GTLYEHPQZLUAQG-IBGZPJMESA-N 474.584 7.802 50 10 JKGE CC1(C)CC[C@@H](Cc2ccc(Cl)c(I)c2)[C@H](Br)CC1 2337278659 IYWISNPLEDWIFB-QWHCGFSZSA-N 455.605 6.467 50 10 JKGE COc1c(Br)cc(C)c([C@H](Br)C(C)(C)C(C)C)c1Br 2339654551 AVVHYLIWSXDDJR-AWEZNQCLSA-N 457.044 6.647 50 10 JKGE CN(CC[C@@H](Br)c1cccs1)C(=O)c1sccc1I 2340429455 HGMAPJKLMPHXFK-SECBINFHSA-N 470.195 5.013 50 10 JKGE ClCC1(Cc2ccc(I)c(Br)c2)CC2(CCCO2)C1 2349842867 PZXNEEAXDIGGGD-UHFFFAOYSA-N 455.561 5.164 50 10 JKGE Fc1c(Br)cc(Cl)c([C@H](Cl)[C@@H]2CC[C@@H]3[C@H]2C3(F)F)c1Br 2362231883 HYGMSVMBXAMPBX-QZXXDCEPSA-N 452.923 6.575 50 10 JKGE CC1(C)COC[C@@H]1CC(CBr)(CBr)c1ccccc1Br 2364480017 QBKNCUOUGAFSSF-LBPRGKRZSA-N 469.055 5.539 50 10 JKGE COC[C@@H]1CC[C@H]([C@@H](Br)c2c(C)cc(Br)c(F)c2Br)C1 2365191884 SBNIUSVSYVMSEF-GBIKHYSHSA-N 473.018 6.158 50 10 JKGE COc1c(Br)cc(C)c([C@H](Br)C23CCC(CC2)C3)c1Br 2365193113 YRDXMSKVOFVIKN-NWWFGRIYSA-N 467.039 6.545 50 10 JKGE COC(C)(C)C1(CO[C@H](CI)c2ccccc2Br)CC1 2369743424 PTVMUAASUMQDSG-CQSZACIVSA-N 453.158 5.147 50 10 JKGE CC(C)c1ccc(/C=C(\C#N)c2nc(-c3cc4cc(Br)ccc4oc3=O)cs2)cc1 4010574 NKYIKZDTWRNXLR-GIJQJNRQSA-N 477.383 6.867 50 10 JKGE O=C(CCCOc1ccc(Cl)cc1Cl)NNC(=O)c1cccc(OCCc2ccccc2)c1 10331335 VXIAAGINXOOHAN-UHFFFAOYSA-N 487.383 5.235 50 10 JKGE O=C(N/N=C/c1c2ccccc2cc2ccccc12)c1ccccc1I 12574253 UBMJPICVCRZWLA-ZVHZXABRSA-N 450.279 5.362 50 10 JKGE CC(C)c1ccc(OCC(=O)N/N=C/c2ccccc2OCc2ccccc2)c(Br)c1 12580017 ARBRKCVGVVLYPC-JFLMPSFJSA-N 481.390 5.681 50 10 JKGE CCCCCCOc1ccc(C(=O)NNC(=O)c2ccc(Cl)cc2)cc1Br 14640678 AQQSFKUJDXONNL-UHFFFAOYSA-N 453.764 5.136 50 10 JKGE CCN(CC)S(=O)(=O)c1ccc(C(=O)Oc2ccc(/C=C(/C#N)c3ccccc3)cc2)cc1 31900076 WWWQIGAJWJWLFW-NKFKGCMQSA-N 460.555 5.000 50 10 JKGE COc1cc(/C=C(/C#N)c2cccc(Cl)c2)ccc1OC(=O)/C=C/c1ccc(Cl)cc1 31902406 SMWQVNZWHVSNHE-IPOOWYNDSA-N 450.321 6.685 50 10 JKGE COc1ccc(/C(C#N)=C\c2cccc(OC(=O)[C@H](C)Oc3ccc(Cl)cc3Cl)c2)cc1 31903178 PHMOVTZSAVTUBK-JJBLJPBOSA-N 468.336 6.439 50 10 JKGE CCOC(=O)c1c(-c2ccc(Br)cc2)csc1NC(=O)/C(C#N)=C\c1ccc(C)o1 33330330 FFBYKZXPPIVTGY-GDNBJRDFSA-N 485.359 5.801 50 10 JKGE CCCOc1ccc(-c2nn(-c3ccccc3)cc2/C=C(/C#N)C(=O)NCc2ccccc2)cc1Cl 35447360 QKUQNWIBMOODGL-KQWNVCNZSA-N 496.998 6.205 50 10 JKGE Cc1ccccc1C(=O)Oc1ccc2c(c1)OC(N)=C(C#N)[C@H]2c1ccc(Cl)c(Cl)c1 38655667 DYFDFJYKYJKFJR-QFIPXVFZSA-N 451.309 5.739 50 10 JKGE CC(C)(C)c1ccc(C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@@H]3c2c(F)cccc2Cl)cc1 38680141 JZWSKUNBFGDYAW-HSZRJFAPSA-N 476.935 6.214 50 10 JKGE CCCCCOc1ccccc1[C@H]1C(C#N)=C(N)Oc2cc(OC(=O)c3ccc([N+](=O)[O-])cc3)ccc21 38686071 HOLIWAOPASZYAY-AREMUKBSSA-N 499.523 5.601 50 10 JKGE N#CC1=C(N)Oc2cc(OC(=O)c3ccccc3F)ccc2[C@@H]1c1cccc(OCc2ccccc2)c1 38686576 QBKZWNAITFUEMI-NDEPHWFRSA-N 492.506 5.842 50 10 JKGE Cc1ccc2oc(C(=O)Oc3ccc4c(c3)OC(N)=C(C#N)[C@@H]4c3cccc([N+](=O)[O-])c3)c(C)c2c1 38688193 PWLZEFWWSWSUJL-XMMPIXPASA-N 481.464 5.395 50 10 JKGE COc1cc(/C=C(\C#N)C(=O)NCc2ccco2)ccc1OC(=O)c1ccc(C(C)(C)C)cc1 40884470 LDIGYCQBVXGLTB-XSFVSMFZSA-N 458.514 5.028 50 10 JKGE CCOc1cc(/C=N/NC(=O)CSc2nc(-c3ccccc3)cs2)ccc1OCCC(C)C 40924607 BCLXCZTYEOTDNL-CVKSISIWSA-N 483.659 5.876 50 10 JKGE Cc1ccc(OCCCC(=O)N/N=C/c2ccc(OCc3ccccc3)cc2)c(Br)c1 40951165 ILLARSXRTRESTK-WPWMEQJKSA-N 481.390 5.646 50 10 JKGE O=C1/C(=N/NC(=O)C23CC4CC(CC(C4)C2)C3)c2ccccc2N1Cc1cccc2ccccc12 59158921 HLROWEKHRBFYFV-TVKQRKNISA-N 463.581 5.423 50 10 JKGE C/C(=N\NC(=O)COc1ccc(Br)cc1Cl)C(c1ccccc1)c1ccccc1 66202604 BUMJORZMURMZFO-WGOQTCKBSA-N 471.782 5.806 50 10 JKGE COc1cc([C@H](C(=O)NC2CCCCC2)N(Cc2cccs2)C(=O)CCl)ccc1OC(C)C 97914668 HYGLTJRGLOLLTE-XMMPIXPASA-N 493.069 5.302 50 10 JKGE CCOC(=O)c1c(N/C=C(\C#N)c2nc(-c3ccc(OC)cc3)cs2)sc(C(=O)OC)c1C 102924495 PHTDBOZAYFCWDR-RVDMUPIBSA-N 483.571 5.129 50 10 JKGE Fc1cc([C@@H](Br)c2cc(Br)ccc2Br)cc(F)c1F 109844445 FRCDJLWVIZUETH-GFCCVEGCSA-N 458.897 6.113 50 10 JKGE COc1ccc([C@H](Br)c2cc(F)ccc2Br)c(Br)c1 109876927 IGGYJAVDZXGPOY-AWEZNQCLSA-N 452.943 5.844 50 10 JKGE Fc1ccc([C@@H](Br)c2cc(Br)ccc2Cl)cc1Br 126594149 NKRMTGOQUHVZJX-CYBMUJFWSA-N 457.362 6.488 50 10 JKGE Brc1ccc(Br)c([C@@H](Br)Cc2ccc3ccccc3c2)c1 161182575 STSXCEHEIVPBPW-SFHVURJKSA-N 469.014 7.044 50 10 JKGE N#C/C(=C/Nc1ccccc1Sc1ccccc1)C(=O)Nc1cc([N+](=O)[O-])ccc1Cl 217234228 SCMRNPXDILTNDG-PFONDFGASA-N 450.907 5.857 50 10 JKGE CCc1ccc(CC)c([C@@H](Br)c2cc(Cl)ccc2I)c1 234175561 BFXGSTKGUZEEJF-QGZVFWFLSA-N 463.584 6.554 50 10 JKGE Cc1cccc([C@H](Cl)c2cc(Br)cc3c2OCC3)c1I 236012012 FMMODKHPKDUMTR-AWEZNQCLSA-N 463.540 5.625 50 10 JKGE Fc1cccc(Cl)c1C[C@H](Cl)c1cc(I)ccc1Br 236144391 NZSCGSSCXKAEOX-ZDUSSCGKSA-N 473.938 6.369 50 10 JKGE Cc1ccccc1[C@@H]1C=C(c2ccccc2)OC(c2ccccc2)=C1C=NNC(=O)c1ccncc1 245265746 HQLHBCAZDGSTJO-MHZLTWQESA-N 471.560 6.372 50 10 JKGE O=C(NN=Cc1ccc(OCc2ccccc2)c(OCc2ccccc2)c1)c1ccccc1O 263632787 VJOMXNWCZNOBIU-UHFFFAOYSA-N 452.510 5.314 50 10 JKGE Clc1cccc(Cl)c1[C@H](Br)c1cc(I)cc2c1OCC2 312249732 CAMRHPRRMSWAHR-CQSZACIVSA-N 483.958 6.017 50 10 JKGE Cc1ccc(Br)cc1C[C@H](CBr)Cc1ccc(Br)cc1 313716258 QOEMJFAIIUKKGY-CQSZACIVSA-N 461.035 6.316 50 10 JKGE Cc1cccc(Br)c1[C@H](Br)c1cc(Br)ccc1Br 381504731 JMOLIOQSJNHSHA-CQSZACIVSA-N 497.850 6.767 50 10 JKGE Cc1cc(Br)c([C@H](Cl)c2cc(Cl)c(Br)cc2F)cc1Cl 383662494 QXOFGNBXCDCTJQ-AWEZNQCLSA-N 461.383 7.294 50 10 JKGE Brc1cc([C@H](Br)C(C2CCC2)C2CCC2)c(Br)s1 385030108 GKOQZFCWQUSOKJ-ZDUSSCGKSA-N 457.069 6.926 50 10 JKGE Fc1cc(Br)c([C@@H](Cl)c2ccc(I)cc2)c(F)c1F 398525016 PEWFCJHLLXIWFA-NSHDSACASA-N 461.446 5.799 50 10 JKGE Clc1cnccc1C[C@@H](Br)c1scc(Br)c1Br 705465133 QIUFFEONPFHKAA-SSDOTTSWSA-N 460.416 6.000 50 10 JKGE CCOc1ccc([C@H](Cl)c2cccc(F)c2I)c(Br)c1 721698597 QXDMSWLHPWEJHY-AWEZNQCLSA-N 469.519 5.920 50 10 JKGE COc1cccc(C(=O)NN=Cc2ccc(Oc3ccc(C(F)(F)F)cc3[N+](=O)[O-])c(OC)c2)c1 1083907040 UJSOPBIHKIEHPR-UHFFFAOYSA-N 489.406 5.187 50 10 JKGE Cc1ccc(C)n1-c1cccc(C(=O)NN=Cc2cc(C)n(-c3ccc(C(=O)O)c(Cl)c3)c2C)c1 1084279336 RWDJGKFLCDTSSH-UHFFFAOYSA-N 488.975 5.617 50 10 JKGE Cc1cc(N2CCCC2)ccc1C=NNC(=O)COc1ccc(C(C)(C)c2ccccc2)cc1 1084374570 WGIMWBNQWGVOEU-UHFFFAOYSA-N 455.602 5.450 50 10 JKGE Cc1cc(C=NNC(=O)CSCc2ccc(Cl)cc2)c(C)n1-c1ccc(Cl)cc1Cl 1084392372 DBMOFYQSLXBPLL-UHFFFAOYSA-N 480.848 6.438 50 10 JKGE Cc1ccc(COc2ccc(Cl)cc2/C=C(/C#N)C(=O)Nc2cccc(C(F)(F)F)c2)cc1 1084421180 NMLWVTDUBXASTI-ODLFYWEKSA-N 470.878 6.792 50 10 JKGE O=C(CCBr)Nc1ccc(Oc2ccc(NC(=O)[C@H]3CCCC[C@H]3C(=O)O)cc2)cc1 1859504664 BUSPSCBLCJPIBA-VQTJNVASSA-N 489.366 5.032 50 10 JKGE CN(C)c1ccc([C@H]2C(C#N)=C(N)Oc3c2c(-c2ccccc2)nn3-c2ccc(Cl)cc2)cc1 1865684127 UIFLHPDAPZBGPK-QHCPKHFHSA-N 467.960 5.477 50 10 JKGE COc1ccc2ccccc2c1[C@@H]1C(C#N)=C(N)Oc2c1c(C)nn2Cc1cccc(Cl)c1 1865688279 OJSQQZYPPLTCRE-XMMPIXPASA-N 456.933 5.273 50 10 JKGE CCCCCOc1ccc([C@H]2C(C#N)=C(N)Oc3c2c(CC)nn3Cc2cccc(Cl)c2)cc1 1865692707 HONLELYKLIINFU-DEOSSOPVSA-N 477.008 5.934 50 10 JKGE COc1ccc(OC)c([C@H]2C(C#N)=C(N)Oc3c2c(-c2ccccc2)nn3Cc2ccc(Cl)cc2)c1 1865692861 PPTWIGWUQBJZQN-DEOSSOPVSA-N 498.970 5.487 50 10 JKGE CCOc1ccc([C@H]2C(C#N)=C(N)Oc3c2c(-c2ccc(OC)cc2)nn3-c2ccc(C)cc2)cc1 1865693969 NKFNJUAQIUDXDD-VWLOTQADSA-N 478.552 5.473 50 10 JKGE CCCc1nn(Cc2ccc(Cl)c(Cl)c2)c2c1[C@@H](c1cn(C)c3ccccc13)C(C#N)=C(N)O2 1865698704 ASEYCJRCWIXAHB-HSZRJFAPSA-N 492.410 5.901 50 10 JKGE CC(C)Oc1ccccc1[C@@H]1C(C#N)=C(N)Oc2c1c(C(F)(F)F)nn2Cc1cccc(F)c1 1865705463 WJISKJIQOAFCTK-LJQANCHMSA-N 472.442 5.095 50 10 JKGE COc1ccc(/C(C)=N\NC(=O)c2ccc(-c3ccc(Cl)cc3Cl)nc2C)cc1OC 1865763243 BRGPUCCODHWQOD-WKIKZPBSSA-N 458.345 5.535 50 10 JKGE CCOC(=O)c1cnn(-c2ccc(Cl)cc2)c1NC(=O)/C(C#N)=C/c1ccc(Br)cc1 1866129249 JXPLVJSGVXSXDQ-RVDMUPIBSA-N 499.752 5.011 50 10 JKGE CCCc1nc(Nc2ccc(SC#N)cc2)cc(N2CCO[C@@H](c3ccc(CC)cc3)C2)n1 1868389210 RXZPZGYGBWEQJA-HSZRJFAPSA-N 459.619 5.886 50 10 JKGE C[C@H]1CN(c2cc(Nc3ccc(SC#N)cc3)nc(-c3ccc(C(C)(C)C)cc3)n2)C(C)(C)CO1 1868544843 LUNVXBCGZILPMO-IBGZPJMESA-N 487.673 6.762 50 10 JKGE CCOc1ccc(-c2csc(/C(C#N)=C(O)/C=C/c3cc(OC)c(OC)c(OC)c3)n2)cc1 1872747470 FGSCCVXXERBOIH-CPZUXIBLSA-N 464.543 5.741 50 10 JKGE COc1ccc(Cl)cc1N1C[C@@H](/C(O)=C(\C#N)c2nc(-c3ccc(C)cc3C)cs2)CC1=O 1872748589 DFXWZXPHZTYQNC-WGCOJADFSA-N 479.989 5.935 50 10 JKGE COc1ccc(-c2csc(/C(C#N)=C(\O)Cc3ccc(OCc4ccccc4)cc3)n2)cc1F 1872752909 YRRSAZVVVYFKJG-LVWGJNHUSA-N 472.541 6.572 50 10 JKGE COc1c(C)cc(Cl)cc1-c1csc(/C(C#N)=C(\O)c2cc([N+](=O)[O-])c(C)c([N+](=O)[O-])c2)n1 1872756833 CPZYFQSVKYPUCG-CYVLTUHYSA-N 486.893 5.855 50 10 JKGE CCCCCCCOc1ccc(-c2csc(/C(C#N)=C/c3cc(OC)c(O)c(OC)c3)n2)cc1 1872791393 HKRBWDAWOYTCOC-KGENOOAVSA-N 478.614 6.946 50 10 JKGE Cc1cc(C)c(C)c(-c2csc(/C(C#N)=C/c3ccc(OCc4ccc(Cl)cc4)cc3)n2)c1C 1872792909 XFDFIFFUDOMYIK-ZVHZXABRSA-N 485.052 8.340 50 10 JKGE COc1ccc(OC)c(-c2csc(/C(C#N)=C(\O)[C@H](C)Oc3ccccc3C(C)C)n2)c1 1873920355 DWXULJGDEZIHJE-GFDWPABASA-N 450.560 6.211 50 10 JKGE Cc1scc([C@H](Cl)c2sc(Cl)cc2I)c1Br 1902876297 MCBSKLJAWOYIFK-VIFPVBQESA-N 468.006 6.467 50 10 JKGE Brc1cc(Br)c([C@H](Br)[C@H]2Cc3ccccc3O2)s1 1922942527 RYBDOGHIKSSIRA-ZYHUDNBSSA-N 452.993 5.713 50 10 JKGE Fc1ccc([C@@H](Cl)c2c(Br)sc(Br)c2Cl)c(Br)c1 1923037238 BXVCLQVBTGCBSD-MRVPVSSYSA-N 497.836 7.156 50 10 JKGE CC(C)(CC(F)(F)F)[C@H](Br)c1c(Br)sc(Br)c1Cl 1923068507 SKCRUNGDVQYFGL-ZCFIWIBFSA-N 493.408 7.341 50 10 JKGE CC1(C)[C@H]2C[C@H]([C@H](Cl)c3c(Br)sc(Br)c3Br)C[C@H]21 1924572300 XZCQTHDDJZFMLI-DOACCVQLSA-N 477.487 6.998 50 10 JKGE Fc1cc([C@@H](Br)c2c(Cl)sc(Br)c2Cl)ccc1Br 1925584655 KDIZJSVMRXMCNV-MRVPVSSYSA-N 497.836 7.203 50 10 JKGE Cc1ccnc(CC(CBr)(CBr)C2CCCC2)c1Br 1926844407 YOTKJEUNHRBCHO-UHFFFAOYSA-N 454.044 5.661 50 10 JKGE CCOc1c(Br)cc(Br)cc1C[C@H](CCl)NC(=O)OC(C)(C)C 1984032785 HCMQJVHRKPUPCJ-GFCCVEGCSA-N 471.617 5.285 50 10 JKGE Cn1nc([C@H](Cl)c2sc(Br)cc2Br)c(Br)c1Cl 2001992334 KTIPWLAXTXTNOP-LURJTMIESA-N 483.838 5.751 50 10 JKGE Cl[C@@H](c1c(Br)sc(Br)c1Br)[C@@H]1[C@H]2C[C@@H]3[C@H]1[C@@H]3C2 2016562057 HSJFDZLTBDVFQB-SCLSFBCOSA-N 461.444 6.218 50 10 JKGE Cc1cc(Br)c([C@H](Br)c2ccc(I)c(C)c2)s1 2026131989 BVYPKCHZLVVQQN-GFCCVEGCSA-N 486.010 6.216 50 10 JKGE Cl[C@H](c1cc(Br)c2c(c1)CCO2)c1sccc1I 2030026815 WXUUFZATPIQOIT-LLVKDONJSA-N 455.542 5.378 50 10 JKGE FC1(F)[C@@H]([C@H](Br)c2cc(Br)c(Br)s2)C12CCCC2 2036155424 LZHMKQXQADTOFE-BDAKNGLRSA-N 464.995 6.535 50 10 JKGE Cc1c(Br)sc([C@H](Br)C2CCC(F)(F)CC2)c1Br 2057461126 OREZDBDXVNWOMJ-SECBINFHSA-N 467.011 6.843 50 10 JKGE CCc1cc(Br)c([C@H](Br)c2c(Br)nn(C)c2C)s1 2067855425 RTQOVEFWXSPDKI-SNVBAGLBSA-N 457.029 5.362 50 10 JKGE FC1(F)CC2(C[C@H]2[C@H](Cl)c2c(Br)sc(Br)c2Br)C1 2069069862 VZGRXTKONQFVCD-FFWSUHOLSA-N 485.413 6.751 50 10 JKGE Fc1cc(Cl)c([C@H](Cl)c2cc(Br)sc2Br)cc1Cl 2083776260 TXAGYZGTPNFDNS-JTQLQIEISA-N 453.385 7.047 50 10 JKGE CC(C)(CBr)[C@@H]1CCCN1C(=O)c1csc(Br)c1Br 2099641118 SJJMRRIOKPMMAC-VIFPVBQESA-N 474.056 5.299 50 10 JKGE C[C@H]1CN(Cc2ccccc2)C[C@@H](C)CN1c1cc(Br)cc(F)c1CBr 2114268354 XNBHMBHCPCJELF-CVEARBPZSA-N 484.251 5.830 50 10 JKGE BrCc1cc(Br)c(OC[C@@H]2C[C@H]2C2CCC2)c(Br)c1 2135244301 DUIBFGBLIIXGNS-RYUDHWBXSA-N 453.012 5.922 50 10 JKGE Cc1cc(Cl)c([C@H](Cl)c2cc(Br)ccc2I)cc1Cl 2136693538 LVQHDLWRFWAYEN-AWEZNQCLSA-N 490.393 6.997 50 10 JKGE Cc1ccc([C@H](Cl)c2ccc(Br)c(C)c2Br)c(Br)c1 2138861610 HLJXOBXCSXSFLP-HNNXBMFYSA-N 467.426 6.919 50 10 JKGE Clc1cc(CC2(CBr)CC3(CCCO3)C2)ccc1I 2142939352 GFWKISYTVFKDTK-UHFFFAOYSA-N 455.561 5.211 50 10 JKGE CC(C)(C)[C@@H]1C[C@@H](CBr)CN(c2ncc(Br)cc2Br)C1 2165000055 RXCHLGNQBWEZFL-WDEREUQCSA-N 469.059 5.490 50 10 JKGE Cn1ncc(Cl)c1CC(CBr)(CBr)c1cccc(Br)c1 2168232451 WAOZDRPSJKRTET-UHFFFAOYSA-N 485.445 5.106 50 10 JKGE CCc1nc([C@H](Br)c2c(Br)cc(F)c(F)c2F)c(Br)s1 2169490631 QLFLHZSWWWIKQM-MRVPVSSYSA-N 493.968 6.132 50 10 JKGE COc1cc(F)c(Br)cc1[C@H](Cl)c1cc(I)ccc1F 2169668493 QMBAJWIQUDKENE-CQSZACIVSA-N 473.482 5.669 50 10 JKGE F[C@@H](C(F)(F)F)C(F)(F)Oc1c(Br)cc(CBr)cc1Br 2175183587 RIZNITSJIDUXRJ-QMMMGPOBSA-N 494.849 5.979 50 10 JKGE Cc1cc(C)c(S(=O)(=O)N(Cc2ccccc2)[C@@H](C)C(C)(C)C)cc1CBr 2179857778 DXMULVWABURLAM-SFHVURJKSA-N 452.458 5.824 50 10 JKGE O=S(=O)(c1cc(F)c(Cl)c(CBr)c1)N(CCC(F)(F)F)Cc1ccccc1 2179861201 DMKHPDGWVSIZAP-UHFFFAOYSA-N 488.728 5.517 50 10 JKGE Cc1cc(Br)c(C)c([C@H](Br)C[C@H]2C[C@@H]2C(F)(F)F)c1Br 2201070016 AHVUDUUQDPEUIV-WCABBAIRSA-N 478.972 6.853 50 10 JKGE CCC[C@@H](CC(C)C)[C@H](Br)c1c(C)c(Br)cc(C)c1Br 2201081982 LSIKYTLPUNHJKU-GUYCJALGSA-N 469.099 7.727 50 10 JKGE Brc1ccc([C@H](Br)[C@@H]2CCOc3ccccc32)c(Br)c1 2203685707 LFKCSJYKVYRARU-MLGOLLRUSA-N 460.991 6.214 50 10 JKGE Cn1nc([C@H](Br)c2ccc(-c3cccs3)s2)c(Br)c1Cl 2205864562 ZFWYFIUHPGWRAS-SNVBAGLBSA-N 452.624 6.110 50 10 JKGE FC(F)(F)[C@]1(CBr)CCN(Cc2ccc(I)c(Cl)c2)C1 2208037543 XKYRDNSILGTSOO-LBPRGKRZSA-N 482.509 5.094 50 10 JKGE Cc1c(Br)csc1C(=O)N(Cc1ccccc1)C1(CBr)CCC1 2210635860 OJCALDWNZITZOZ-UHFFFAOYSA-N 457.231 5.779 50 10 JKGE COc1cc(Br)c([C@@H](Br)c2scc(C)c2Br)cc1C 2227735126 QIYYHUYFFHWZGH-CYBMUJFWSA-N 469.036 6.383 50 10 JKGE COc1cc(Br)c(C)cc1[C@@H](Br)c1sc(C)cc1Br 2229329672 LXPITBYPSOQBGV-CYBMUJFWSA-N 469.036 6.383 50 10 JKGE Clc1cc(Br)c([C@H](Br)[C@H]2CCCC3(CC3)C2)c(Cl)c1Cl 2232518006 YPAOKDBQVQKNLE-QPUJVOFHSA-N 461.452 7.816 50 10 JKGE CCCCCCc1ccc([C@H](Br)c2ccccc2I)s1 2234127674 YOBRDYJYKBGSHI-QGZVFWFLSA-N 463.222 6.960 50 10 JKGE Cc1ccc(I)c([C@H](Br)c2ccc([C@@H]3CCOC3)s2)c1 2240998615 XRBGZVRRBHEHCD-BZNIZROVSA-N 463.178 5.649 50 10 JKGE Fc1cccc(I)c1[C@H](Br)c1ccc(Br)cc1 2247956135 BOJXNHGYSXFZPB-CYBMUJFWSA-N 469.917 5.677 50 10 JKGE Cc1cc([C@@H](Br)c2sc(C)c(C)c2Br)ccc1Br 2253473115 LBBRPUZUONKTHP-CYBMUJFWSA-N 453.037 6.683 50 10 JKGE CCc1ccsc1[C@@H](Br)c1c(F)cc(Br)c(F)c1Br 2272737263 BICJZQCMHGASFY-NSHDSACASA-N 474.990 6.598 50 10 JKGE COc1ccc([C@@H](Br)c2ccc(C)c(F)c2F)cc1I 2285001769 ZAXVARLRWDXQOV-CYBMUJFWSA-N 453.064 5.371 50 10 JKGE C[C@H](Cl)c1nc2cnc(C3CCC3)nc2n1CCCN(Cc1ccccc1)Cc1ccccc1 2286682499 OZNQPIIOAJBPBO-NRFANRHFSA-N 474.052 6.486 50 10 JKGE CC[C@H](C[C@@H](Br)c1c(F)cc(Br)c(F)c1Br)C(C)(C)C 2288496211 FFVMJZCQWUCQRA-RKDXNWHRSA-N 477.025 7.388 50 10 JKGE Fc1cc(Br)c(F)c(Br)c1[C@@H](Br)CC(C1CC1)C1CC1 2288496538 IHUPNTQYOVPIQH-JTQLQIEISA-N 472.993 6.752 50 10 JKGE Cc1cc(Br)c([C@H](Br)c2ccc(C(F)(F)F)s2)cc1Br 2295255844 FIGLYRXMIHDAFI-LBPRGKRZSA-N 492.980 7.085 50 10 JKGE CC1(C)CC[C@@H]([C@H](Br)c2cc(Br)ccc2OCc2ccccc2)C1 2299503227 DCKWUNQKBMQICI-UZLBHIALSA-N 452.230 7.290 50 10 JKGE FC1(F)CC[C@@H]([C@@H](Br)c2cc(Br)ccc2OCc2ccccc2)C1 2299531559 WZWSRSAFWSYOPP-RDTXWAMCSA-N 460.156 6.900 50 10 JKGE CCOC(=O)c1ccc(-c2ccc(C=C(C#N)C(=O)Nc3cccc(Cl)c3Cl)o2)cc1 2313570944 JRXBFUIOFNXGRW-UHFFFAOYSA-N 455.297 5.976 50 10 JKGE CC1(C)CCC[C@@H]([C@H](Br)c2ccc(OCc3ccccc3)cc2Br)C1 2314439903 KYAHHDKNCQTOBE-UTKZUKDTSA-N 466.257 7.681 50 10 JKGE C[C@@H]1OC2(C)CC1([C@@H](Br)c1ccc(OCc3ccccc3)cc1Br)C2 2314463550 ZLBJZTXWVSNGRA-JAQFIQKLSA-N 466.213 6.422 50 10 JKGE Cc1cccc([C@H](Br)c2c(Cl)sc(Cl)c2C)c1I 2314512793 NAULTSAZZXRTME-JTQLQIEISA-N 476.004 6.761 50 10 JKGE CCOc1cc(C=C2C(=O)N(C3CCCC3)C(=O)C(C#N)=C2C)ccc1OCc1ccccc1Cl 2314617100 QRKXWLKYTOWVCP-UHFFFAOYSA-N 490.987 5.853 50 10 JKGE CC1=C(C#N)C(=O)N(Cc2ccccc2)C(=O)C1=Cc1ccc(OCc2ccccc2Cl)cc1 2314618239 KBJMDFVCDPZFML-UHFFFAOYSA-N 468.940 5.711 50 10 JKGE CCCCCCCCOc1ccc(C=C2C(=O)N(CCCOCC)C(=O)C(C#N)=C2C)cc1OC 2314618630 QRXFTIJZHBAFDM-UHFFFAOYSA-N 482.621 5.453 50 10 JKGE N#CC1=C(N)Oc2cc(OC(=O)C=Cc3ccc(Cl)cc3Cl)ccc2[C@@H]1c1ccc(Cl)cc1 2314634025 CKKNLAHIQKSMGI-DEOSSOPVSA-N 497.765 6.484 50 10 JKGE CCCCOc1ccc(C=C(C#N)C(=O)Nc2sc(C(C)=O)c(C)c2C(=O)OCC)cc1 2314734542 CZTRQYBVIPIJFS-UHFFFAOYSA-N 454.548 5.160 50 10 JKGE CC(=O)N1CCc2cc(C(C)=NNC(=O)c3ccc(-c4ccc(Cl)cc4Cl)nc3C)ccc21 2321276004 ZVPZMYPLRBLFFH-UHFFFAOYSA-N 481.383 5.427 50 10 JKGE COC(=O)c1c(NC(=O)C(C#N)=Cc2ccc(Br)cc2)sc(C)c1-c1ccc(C)cc1 2329663715 AYPIDDRYZURESU-UHFFFAOYSA-N 495.398 6.127 50 10 JKGE CCOc1cc(C=C(C#N)c2cc3c(cc2[N+](=O)[O-])OCCO3)ccc1OCc1ccccc1C 2331051401 KCCSYQFZNQKSDR-UHFFFAOYSA-N 472.497 5.716 50 10 JKGE CCOc1cc(C(O)=C(C#N)c2nc(-c3c[nH]c4ccccc34)cs2)cc(OCC)c1OCC 2331346970 TZWWTBAKLJJEPZ-UHFFFAOYSA-N 475.570 6.437 50 10 JKGE N#CC(=C(O)c1ccc(-n2cccc2)cc1)c1nc(-c2ccc(Oc3ccccc3)cc2)cs1 2331359021 RGKRUGSWVPWTBT-UHFFFAOYSA-N 461.546 7.343 50 10 JKGE CCCCCCOc1ccc(C(O)=C(C#N)c2nc(-c3cc(C)cc(C)c3OC)cs2)cc1 2331371684 CZOFAFFYCVRBPI-UHFFFAOYSA-N 462.615 7.345 50 10 JKGE CCCCCOc1ccc(C=C(C#N)c2nc(-c3ccc(CCCC)cc3)cs2)cc1OCC 2331429286 LKXZGJWRNLRLPE-UHFFFAOYSA-N 474.670 8.185 50 10 JKGE N#CC(=Cc1ccccc1OCc1ccccc1Cl)c1nc(-c2cccc3ccccc23)cs1 2331456771 DSVGXFXNRWHKFX-UHFFFAOYSA-N 479.004 8.260 50 10 JKGE CC1(C)CC[C@H]([C@H](Br)c2c(Cl)cc(Br)c(F)c2Br)C1 2337083951 GBSXZWMRWRJZFA-CPCISQLKSA-N 477.437 7.266 50 10 JKGE Cc1nc(Br)c([C@H](Br)c2cc(C3CC3)c(Br)s2)n1C 2337281853 VSOSPCHGSWIORM-SNVBAGLBSA-N 469.040 5.677 50 10 JKGE Cc1nc(Br)c([C@@H](Cl)Cc2cc(Br)cc(Br)c2)n1C 2337325588 JIRVMSGLLGCXMS-NSHDSACASA-N 471.418 5.539 50 10 JKGE COc1c(Br)cc(C)c([C@@H](Cl)c2ccc(Br)s2)c1Br 2339639946 SIYSLZVSOJOPTK-LBPRGKRZSA-N 489.454 6.681 50 10 JKGE Cc1cc(Br)c(F)c(Br)c1[C@H](Br)[C@@H]1[C@H]2COCC[C@H]21 2339656550 OWZUTCTULKALSY-ULCXWNMLSA-N 456.975 5.378 50 10 JKGE Cc1ccc(N2CCN(Cc3ccccc3)C[C@H]2C(F)(F)F)c(CBr)c1Cl 2360652503 HAUPRMJWIXXOHT-SFHVURJKSA-N 461.753 5.796 50 10 JKGE Clc1ccc([C@@H](Cl)c2cc(Br)cc3c2OCC3)c(I)c1 2365593116 SCIVMMZNHBVVIF-CQSZACIVSA-N 483.958 5.970 50 10 JKGE Cc1cc([N+](=O)[O-])ccc1NC(=O)/C(C#N)=C\c1cccc(OCc2cccc3ccccc23)c1 33929954 MSZFEMRFRAVSLD-HAHDFKILSA-N 463.493 6.181 50 10 JKGE Cc1cc(-c2nn(-c3ccccc3)cc2/C=C(\C#N)c2nc(O)c3ccccc3n2)ccc1OC(C)C 34983911 AVANUUDMLFDCND-CJLVFECKSA-N 487.563 6.348 50 10 JKGE CCCOc1ccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)[C@@H](C)Oc4ccc(F)cc4)ccc32)cc1 38650675 HBCXGLPBUKXMKZ-WGDIFIGCSA-N 488.515 5.206 50 10 JKGE N#CC1=C(N)Oc2cc(OC(=O)Cc3ccccc3)ccc2[C@@H]1c1cccc(Oc2ccccc2)c1 38676738 VBFLBPLXNFJPLO-LJAQVGFWSA-N 474.516 5.845 50 10 JKGE CCCOc1ccccc1[C@@H]1C(C#N)=C(N)Oc2cc(OC(=O)COc3ccc(CC)cc3)ccc21 38681783 OFIZNRGADGTZOP-NDEPHWFRSA-N 484.552 5.240 50 10 JKGE CCc1ccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4oc5cc(C)c(C)cc5c4C)ccc32)cc1 38700444 ZHZHWCGDVUGQRO-MHZLTWQESA-N 478.548 6.358 50 10 JKGE CCc1ccc2oc(C(=O)Oc3ccc4c(c3)OC(N)=C(C#N)[C@H]4c3cccc([N+](=O)[O-])c3)c(C)c2c1 40547520 RWMOMXYRRMTBHC-VWLOTQADSA-N 495.491 5.649 50 10 JKGE COc1ccccc1C(=O)N/N=C1\CCCc2oc(C(=O)Nc3ccccc3C(F)(F)F)c(C)c21 40813155 KEOHZAIDDUFIAN-UXHLAJHPSA-N 485.462 5.338 50 10 JKGE Cc1c(C(=O)NCc2cccnc2)oc2c1/C(=N/NC(=O)c1ccc(-c3ccccc3)cc1)CCC2 40822607 IOZQZIPEONTBSX-FEZSWGLMSA-N 478.552 5.050 50 10 JKGE CCOc1ccc([C@H](O)CCC(=O)N/N=C/c2ccc(-c3ccc(Cl)cc3Cl)o2)cc1 58892757 XCKAFQOYSWMLAB-ODDBZWQPSA-N 461.345 5.616 50 10 JKGE O=C(N/N=C1/C(=O)N(C(c2ccccc2)c2ccccc2)c2ccccc21)c1ccccc1Cl 59165535 LLSLSGSMZFAMND-QCWLDUFUSA-N 465.940 5.610 50 10 JKGE O=C(N/N=C(/CSc1nc2ccccc2o1)c1ccc2ccccc2c1)c1ccccc1Cl 59460719 ROQLOTUGNWKRHW-FAJYDZGRSA-N 471.969 6.561 50 10 JKGE N#C/C(=C(\Nc1ccccc1)SCc1c(F)cccc1Cl)S(=O)(=O)c1ccccc1 96482133 KQLKLOIPWDJTCO-DQRAZIAOSA-N 458.967 5.991 50 10 JKGE Cc1ccc(-c2csc(/C(C#N)=C(\O)c3ccc(-c4ccc(Cl)cc4Cl)o3)n2)cc1 100989860 CUEFUGIECFKKLF-XLNRJJMWSA-N 453.350 7.635 50 10 JKGE CCCCCCN1C(=O)C(C#N)=C(C)/C(=C\c2cn(-c3ccccc3)nc2-c2ccc(C)c(F)c2)C1=O 101333565 XMNJYJYRSOEMPO-PCLIKHOPSA-N 496.586 6.159 50 10 JKGE CCCOc1ccccc1/C=C(/C#N)C(=O)Nc1scc(-c2ccc(Cl)cc2)c1C(=O)OCC 102957421 QEDILIGGWHFXEY-RGEXLXHISA-N 495.000 6.580 50 10 JKGE N#C/C(C(=O)Nc1ccccc1)=C1\S[C@H](Cc2ccccc2Cl)C(=O)N1c1ccc(F)cc1 102973874 VIAFLZVBDBVPPI-IQQNDYETSA-N 477.948 5.544 50 10 JKGE C=C/C(=C/C=C/CCl)NC(=O)NCc1cccc(CNC(=O)Nc2cccc(Cl)c2)c1 108872613 BOMVVWUJZDWNPT-FYOHNEBTSA-N 459.377 5.326 50 10 JKGE COc1cc(OC)cc([C@@H](Br)c2cc(Br)c(C)cc2Br)c1 128841389 UPVFAUYBUQKLQP-MRXNPFEDSA-N 479.006 6.022 50 10 JKGE Cc1ccc(Br)c([C@@H](Br)c2cc(Br)ccc2Br)c1 161281848 ACPHAPXPIRGRDQ-CQSZACIVSA-N 497.850 6.767 50 10 JKGE Cc1ccc(C(CBr)(CBr)Cc2ccc(Br)cn2)cc1 169003112 CKTDNXNCMLUJLB-UHFFFAOYSA-N 462.023 5.423 50 10 JKGE CCCOc1ccc(/C=C(\NC(=O)c2ccccc2)C(=O)NN=C/C=C/c2ccccc2)cc1 254764825 XSVRLDAFKQIWSY-HMYISIOHSA-N 453.542 5.062 50 10 JKGE Cc1cccc([C@H](Cl)c2cc(I)cc3c2OCC3)c1Br 312383019 RQTHCVFIPSFZSN-HNNXBMFYSA-N 463.540 5.625 50 10 JKGE C[C@@H](Br)CC(C)(C)CNC(=O)c1cc(Br)c(Br)s1 393563573 LDANLQVTDIORNA-SSDOTTSWSA-N 462.045 5.203 50 10 JKGE Cc1cc(Br)c([C@H](Cl)c2cccc(OCc3ccccc3)c2)cc1Br 394058033 HIVUTWQHUXQIPO-OAQYLSRUSA-N 480.627 7.427 50 10 JKGE Brc1cccc([C@@H](Br)c2cc(Br)c3c(c2)CCCO3)c1 689539510 FMXPUEAHIWDPDG-OAHLLOKOSA-N 460.991 6.021 50 10 JKGE O=C(NC1(CCBr)CCSCC1)c1cc(Br)c(Br)s1 719720057 ONMJSIJSLYOXRE-UHFFFAOYSA-N 492.096 5.054 50 10 JKGE C=CCc1cc(C=NNC(=O)c2cc3ccccc3o2)ccc1OCc1cccc([N+](=O)[O-])c1 1083912424 AZMRPBRAQBWAPW-UHFFFAOYSA-N 455.470 5.412 50 10 JKGE CCOc1cc(C=NNC(=O)c2ccccc2Br)cc(Cl)c1OCc1ccccc1 1083987610 NGHLQSSGWWVULZ-UHFFFAOYSA-N 487.781 5.844 50 10 JKGE O=C(CSc1nc(-c2ccc(Cl)cc2)cs1)NN=Cc1ccc(Cl)c([N+](=O)[O-])c1 1772754942 BDLPFXUJDUAYRB-UHFFFAOYSA-N 467.359 5.268 50 10 JKGE Cc1ccc(C)c(Cn2nc(-c3ccccc3)c3c2OC(N)=C(C#N)[C@H]3c2ccccc2F)c1 1865681827 YBMJIHZKQZMZSC-XMMPIXPASA-N 450.517 5.573 50 10 JKGE CN(C)c1ccc([C@@H]2C(C#N)=C(N)Oc3c2c(-c2ccccc2)nn3-c2cccc3ccccc23)cc1 1865684336 WURLMNLZBFXVCG-HHHXNRCGSA-N 483.575 5.977 50 10 JKGE Cc1ccc(COc2ccc([C@H]3C(C#N)=C(N)Oc4c3c(C)nn4Cc3cc(C)ccc3C)cc2)cc1 1865693020 KPIBWTHGNHEDLH-LJAQVGFWSA-N 490.607 5.962 50 10 JKGE CCCCCOc1ccc([C@H]2C(C#N)=C(N)Oc3c2c(CC)nn3Cc2ccccc2Cl)cc1 1865694519 YRLSZRVWEQWPDW-DEOSSOPVSA-N 477.008 5.934 50 10 JKGE COc1ccc(-c2nn(Cc3ccc(C)cc3)c3c2[C@H](c2cccs2)C(C#N)=C(N)O3)cc1 1865698147 LOEXNQMDOBIYKM-QFIPXVFZSA-N 454.555 5.195 50 10 JKGE Cc1ccccc1COc1ccc([C@H]2C(C#N)=C(N)Oc3c2c(C)nn3-c2cccc3ccccc23)cc1 1865703692 ZJESLFXSQRWMDM-PMERELPUSA-N 498.586 6.440 50 10 JKGE COc1cccc(-c2ccc(C(=O)NNC(=O)CC(c3ccccc3)c3ccccc3)c(C)n2)c1 1865758539 FUJAZVCRWNFESM-UHFFFAOYSA-N 465.553 5.049 50 10 JKGE CCOC(=O)c1c(-c2ccc([N+](=O)[O-])cc2)csc1NC(=O)/C(C#N)=C/c1ccc(OC)cc1 1866126462 SJFQDLJHDNJLIP-SFQUDFHCSA-N 477.498 5.054 50 10 JKGE CCN(CCC1(c2ccccc2)CCCCC1)C(=O)/C(C#N)=C/c1ccc(OCCOC)cc1 1866386340 UKVDIEWMNXMHDO-YYDJUVGSSA-N 460.618 5.759 50 10 JKGE Cc1ccc(-c2nc(Nc3ccc(SC#N)cc3)cc(N3CCO[C@@H](c4cccnc4)C3)n2)cc1 1868320576 LCXGISKZGYSJQJ-XMMPIXPASA-N 480.597 5.742 50 10 JKGE CCOc1ccc(-c2csc(/C(C#N)=C(\O)[C@H]3CC(=O)N([C@H](C)c4ccccc4)C3)n2)cc1 1872747893 YGBIIAKTPUARBR-PEDYLNHISA-N 459.571 5.611 50 10 JKGE CCc1ccc(OCCC/C(O)=C(\C#N)c2nc(-c3ccc(Cl)c(Cl)c3)cs2)cc1 1872749079 AJGJIUNJWUMBMU-PYCFMQQDSA-N 459.398 7.331 50 10 JKGE COc1ccc(Cl)cc1N1C[C@@H](/C(O)=C(\C#N)c2nc(-c3ccc(C)cc3)cs2)CC1=O 1872749101 BAISHELTNDKWEX-CYMZXICGSA-N 465.962 5.626 50 10 JKGE COc1cc(/C=C/C(O)=C(\C#N)c2nc(-c3ccc(F)c(F)c3)cs2)ccc1OC(C)=O 1872751641 QRFYYEAJFWMPQE-NNZNBPEBSA-N 454.454 5.528 50 10 JKGE COc1c(Cl)cc(-c2csc(/C(C#N)=C(\O)CN3C(=O)c4ccccc4C3=O)n2)cc1Cl 1872755784 FRHXMDWPJOJNCE-JXAWBTAJSA-N 486.336 5.214 50 10 JKGE COc1cc(OC)c(-c2csc(/C(C#N)=C(\O)C34CC5CC(CC(C5)C3)C4)n2)cc1Cl 1872756104 CYJMWXWJIRWPRU-XLNRJJMWSA-N 456.995 6.490 50 10 JKGE COc1ccc(Cl)cc1-c1csc(/C(C#N)=C(\O)CCCOc2ccccc2Cl)n1 1872758460 AXFPPXKDDWMKKR-MNDPQUGUSA-N 461.370 6.777 50 10 JKGE COc1cc(/C=C(\C#N)c2nc(-c3c(C)c(C)cc(C)c3C)cs2)ccc1OC(=O)c1ccccc1 1872792606 HWCPUIMMBKZCRB-ZVHZXABRSA-N 494.616 7.336 50 10 JKGE CCCOc1ccc(-c2csc(/C(C#N)=C(\O)c3ccc(C(C)(C)C)cc3)n2)cc1OCCC 1872818091 MLWSDQWGWSZRTM-ROMGYVFFSA-N 476.642 7.635 50 10 JKGE CCCCCc1ccc([C@H](Br)c2scc(Br)c2Br)s1 1889065829 CLBFDMISFFEBRX-ZDUSSCGKSA-N 487.120 7.552 50 10 JKGE Cc1ccc([C@@H](Br)c2ccc(OCc3ccccc3)cc2Br)s1 1899860222 NMPRLTKHKVHZAS-IBGZPJMESA-N 452.211 6.882 50 10 JKGE ClCC[C@H](COCc1ccccc1)NCc1cccc(Br)c1Br 1902891906 LAVCNLZHZMUOEM-MRXNPFEDSA-N 461.625 5.516 50 10 JKGE O=C1c2ccccc2C(=O)N1C[C@@H](Br)CCc1cc(Cl)cc(Br)c1 1905436786 DCHVXUKWCOFFNC-LBPRGKRZSA-N 471.576 5.095 50 10 JKGE O=C(c1cc(Br)c(Br)s1)N1CC2(CCCC2)C[C@H]1CBr 1912770826 RIVIETXEKCCXPD-VIFPVBQESA-N 486.067 5.443 50 10 JKGE Brc1cc(Br)c([C@H](Br)[C@H]2C[C@H]2c2ccccc2)s1 1922943033 UCCAUYTVJXZUED-OUJBWJOFSA-N 451.021 6.513 50 10 JKGE CC(C)Cc1ccccc1[C@@H](Cl)c1c(Br)sc(Br)c1Cl 1923049056 JYQUZGSIECEJKK-GFCCVEGCSA-N 457.058 7.453 50 10 JKGE CCCC[C@H](C)[C@@H](Br)c1c(Br)sc(Br)c1Cl 1923068181 OBSZOWSUWSLSJM-POYBYMJQSA-N 453.465 7.189 50 10 JKGE CC(C)(C)C1CCC([C@H](Br)c2c(Cl)sc(Br)c2Cl)CC1 1925599145 MIRHMTULDUQDCN-AMUVOQDHSA-N 463.106 8.106 50 10 JKGE Cc1cc(Br)c([C@@H](Br)CC2CC(C(F)F)C2)cc1Br 1926988384 WFLGEUVNBTYHNV-RPTIHFLNSA-N 460.982 6.637 50 10 JKGE BrCCN(Cc1ccccc1)Cc1c(Br)cccc1Br 1930703042 DHKOPUJBURLURB-UHFFFAOYSA-N 462.023 5.609 50 10 JKGE CC(C)[C@H](CCl)N(Cc1ccccc1)Cc1ccc(I)c(Cl)c1 1995479461 PWPFDILRXPUGOV-IBGZPJMESA-N 462.202 6.210 50 10 JKGE Cn1cc([C@H](Cl)c2c(Br)sc(Br)c2Cl)c(Br)n1 2005279113 MMCDOXGCGZRSGD-YFKPBYRVSA-N 483.838 5.751 50 10 JKGE ClCCc1nc2cc(I)ccc2n1[C@H]1CC[C@@H]1OCc1ccccc1 2038730916 YCKGLWRTVFXXPK-OALUTQOASA-N 466.750 5.343 50 10 JKGE FC(F)c1ccc([C@H](Br)c2cc(Br)sc2Br)cc1 2052508371 YBULSMQHVRCSIK-JTQLQIEISA-N 460.963 6.695 50 10 JKGE Brc1cc([C@H](Br)c2cc(Br)c3c(c2)CCO3)ns1 2056497861 UUXIAWWCJAALTO-LLVKDONJSA-N 453.981 5.087 50 10 JKGE Clc1cccc([C@H](CBr)Cc2ccc(Br)cc2Br)c1 2092260589 ISFOVEKFMFAXPK-LBPRGKRZSA-N 467.426 6.586 50 10 JKGE CCCCCCCCCC[C@@H](Br)c1sc(Br)cc1Br 2108229799 GVDNXYCKDCOXHM-GFCCVEGCSA-N 475.128 8.240 50 10 JKGE C[C@H](Cl)c1nc2cc(Cl)c(Br)cc2n1C[C@H]1CCN1Cc1ccccc1 2112701288 HRJBVQANQSVBNN-DZGCQCFKSA-N 453.211 6.027 50 10 JKGE CC(C)c1nc(C[C@@H](Br)c2cccc(Br)c2)c(Br)[nH]1 2113488181 AJVWQSKSTWKYKY-LLVKDONJSA-N 451.000 5.737 50 10 JKGE CN(Cc1cc(Br)ccc1Br)[C@H]1CCCCC[C@@H]1Br 2118520892 YXNSIXIRHWWYCG-GJZGRUSLSA-N 454.044 5.740 50 10 JKGE Cc1cc(Br)c(C)c([C@@H](Cl)c2c(Br)cnn2C)c1Br 2136379591 MBPBWVLXUQGZJX-GFCCVEGCSA-N 471.418 5.653 50 10 JKGE Cc1cc(Br)cc([C@@H](Br)c2cc(Br)c(Cl)cc2C)c1 2137640797 AEQGGMVKHKVZAF-OAHLLOKOSA-N 467.426 6.966 50 10 JKGE FC1(F)[C@@H]2CC[C@H]([C@@H](Br)c3ccc(Br)cc3Br)C[C@H]21 2138866985 QSTLUNOGAHISEB-CTLRHGHPSA-N 458.966 6.329 50 10 JKGE C[C@H](CBr)[C@H]1CCCCN1Cc1ccc(I)c(Cl)c1 2142949257 HVHPOAVWHPLHDY-IAQYHMDHSA-N 456.593 5.330 50 10 JKGE COc1cc(Br)c(C)cc1[C@@H](Br)c1ccc(Cl)cc1Br 2145957212 OIDAKSPGBFMWDH-HNNXBMFYSA-N 483.425 6.666 50 10 JKGE FC(F)CC1([C@@H](Br)c2cc(I)cc3c2OCC3)CCC1 2151978810 FKHWXTQEDXZOAN-AWEZNQCLSA-N 457.096 5.488 50 10 JKGE C[C@@H]1Cc2cc([C@@H](Br)c3scc(Cl)c3Cl)cc(Br)c2O1 2152528473 VJWFPJLKSRLRMR-KSBSHMNSSA-N 457.014 6.625 50 10 JKGE C[C@H]1C[C@@H](CCC(CBr)(CBr)c2cccc(Br)c2)CO1 2159283985 ANRAGWNWGCFEID-QWHCGFSZSA-N 469.055 5.682 50 10 JKGE C[C@@H]([C@@H]1CCN(Cc2ccccc2)C1)n1c(CCl)nc2cc(Br)c(Cl)cc21 2159869750 BKVTYSLWFHKVLF-GOEBONIOSA-N 467.238 6.274 50 10 JKGE C[C@H](Cl)c1nc2cc(Br)c(Cl)cc2n1CC[C@@H](C)N(C)Cc1ccccc1 2160079792 SBRVVEIUCUDUSR-CABCVRRESA-N 469.254 6.663 50 10 JKGE ClCc1nc2cc(Br)ccc2n1-c1ccc(Br)c(Br)c1 2185907088 IZGLJUCPBHHFLJ-UHFFFAOYSA-N 479.397 6.052 50 10 JKGE Cc1cc(Br)c(C)c([C@@H](Cl)c2cccc(F)c2Br)c1Br 2201077170 HHIYSFQZYFXQNO-HNNXBMFYSA-N 485.416 7.058 50 10 JKGE COc1cc(F)c([C@@H](Cl)c2cc(Cl)ccc2I)cc1Br 2202902645 SYPNUOSEBISINS-CQSZACIVSA-N 489.937 6.183 50 10 JKGE FC(F)(F)[C@@H]1OC2([C@H](Br)c3ccc(Br)cc3Br)CC1C2 2203702746 IAWUBDNBDQZKJK-CCSWITPUSA-N 478.928 5.758 50 10 JKGE COc1ccc(C(C)C)cc1[C@H](Br)c1csc(Br)c1Br 2203866911 AQDWTVTWGOLONH-ZDUSSCGKSA-N 483.063 6.889 50 10 JKGE COc1cc(F)c(F)cc1[C@@H](Cl)c1cc(Br)ccc1I 2204492208 OEQNJFRMFSIKLM-AWEZNQCLSA-N 473.482 5.669 50 10 JKGE CC(C)OC[C@@H](Cl)Cc1sc(Br)c(Br)c1Br 2212201669 ZHOSDYBYBJEPJH-LURJTMIESA-N 455.437 5.611 50 10 JKGE Brc1cc([C@H](Br)[C@@H]2OC[C@@H]3CCCC[C@H]32)c(Br)s1 2218098227 HGKLNKLRTMPKCF-IZLWQMGWSA-N 459.041 5.914 50 10 JKGE Cc1sc([C@H](Br)[C@H](C)c2ccncc2Br)cc1Br 2218971899 ONVRTUYDTNABEN-FUXBKTLASA-N 454.025 6.216 50 10 JKGE Fc1ccc([C@@H](Cl)Cc2sc(Br)c(Br)c2Br)cc1 2222471704 MFXFJUPXIYJHLO-QMMMGPOBSA-N 477.418 6.697 50 10 JKGE FC12CCC([C@@H](Br)c3c(Br)cc(Cl)c(Cl)c3Cl)(CC1)C2 2232515403 YURVPPSZNVGDKV-HSBZDZAISA-N 465.415 7.518 50 10 JKGE FC(F)c1cscc1[C@H](Br)c1c(Br)cc(Cl)c(Cl)c1Cl 2232520464 OUMBHTXNRDYWQV-VIFPVBQESA-N 485.402 7.893 50 10 JKGE COc1ccc([C@H](Br)c2cc(Br)c(Br)s2)cc1C(C)C 2233136108 IXBOIZVYJJSJEW-AWEZNQCLSA-N 483.063 6.889 50 10 JKGE Fc1cccc(I)c1[C@@H](Cl)c1cc(Br)c(Cl)s1 2247956120 BKKJTCJKTHDGEO-JTQLQIEISA-N 465.940 6.236 50 10 JKGE COc1cc(Cl)c(Cl)cc1[C@@H](Cl)c1ccc(Br)cc1Br 2279059289 GHMKUVHABNVONQ-AWEZNQCLSA-N 459.392 6.855 50 10 JKGE Clc1c(Br)csc1[C@H](Br)c1ccc(Cl)c2ccccc12 2279290565 BCNSOCQZKDFNFY-CYBMUJFWSA-N 451.010 7.455 50 10 JKGE BrCc1cc(Br)c(OCC[C@H]2CCCC23CC3)c(Br)c1 2281316607 DIAFTTDYEDUKHH-GFCCVEGCSA-N 467.039 6.456 50 10 JKGE Fc1cc([C@H](Br)c2cc(Br)c(Cl)cc2F)c(F)cc1Br 2282136334 QKQPRBCVWSEFAZ-CYBMUJFWSA-N 493.342 6.767 50 10 JKGE COc1ccc([C@@H](Br)c2cccc(Br)c2C)c(Br)c1Cl 2283563931 PIQBJCZEJCUKAI-ZDUSSCGKSA-N 483.425 6.666 50 10 JKGE COc1c([C@@H](Cl)c2sccc2I)cc(Br)c2c1CCC2 2284588921 CPWFRONVAFMIBH-CYBMUJFWSA-N 483.596 5.941 50 10 JKGE Fc1cc(Br)c(F)c(Br)c1[C@H](Cl)CC(F)(F)C(F)(F)F 2288373092 FJINQCZXLFOPMH-SCSAIBSYSA-N 452.389 6.357 50 10 JKGE CC(C)C[C@@H](C(C)C)[C@@H](Br)c1c(F)cc(Br)c(F)c1Br 2288373862 NGEZCDVIAQQDBL-TVQRCGJNSA-N 477.025 7.244 50 10 JKGE CS(=O)(=O)c1cscc1[C@@H](Br)c1cc(C2CC2)c(Br)s1 2288500838 LOJMFUFQBQDXOE-GFCCVEGCSA-N 456.246 5.337 50 10 JKGE FC(F)c1cccc([C@H](Br)Cc2cc(Br)cc(Br)c2)c1 2295332406 WLHTWJMCNPOTPQ-CQSZACIVSA-N 468.961 6.828 50 10 JKGE COc1cc(OC)c([C@H](Cl)c2scc(Br)c2Cl)cc1Br 2295427517 FQEWGGHWXRNUEO-NSHDSACASA-N 461.002 6.272 50 10 JKGE N#CC(C(=O)Nc1ccccc1Cl)=C1S[C@H](Cc2ccccc2)C(=O)N1c1ccccc1 2296834440 NPBBHNLRFKOSBH-JOCHJYFZSA-N 459.958 5.405 50 10 JKGE CCCCOC(=O)c1c(NC(=O)C(C#N)=Cc2ccc(-c3ccccc3)o2)sc2c1CCCC2 2296917079 LODORADAYMJWTH-UHFFFAOYSA-N 474.582 6.389 50 10 JKGE CCCCc1ccc(-c2csc(C(C#N)=Cc3ccccc3I)n2)cc1 2296970545 UYPHBTDDSQJUCE-UHFFFAOYSA-N 470.379 6.821 50 10 JKGE N#CC(=Cc1ccc(-c2ccc(Cl)cc2[N+](=O)[O-])o1)C(=O)Nc1ccc(Br)cc1 2297330133 DVQMEFMISQHUND-UHFFFAOYSA-N 472.682 5.816 50 10 JKGE CCOc1cc(C=C(C#N)C(=O)Nc2ccc([N+](=O)[O-])cc2)ccc1OCc1ccc(F)cc1 2297551424 JCGGJHSUCRYETF-UHFFFAOYSA-N 461.449 5.257 50 10 JKGE N#CC(=Cc1ccccc1OCc1ccccc1)C(=O)Nc1ccc([N+](=O)[O-])cc1Br 2297551655 XHXFBJVLXOIAFA-UHFFFAOYSA-N 478.302 5.482 50 10 JKGE CC1(C)CO[C@@H]([C@@H](Br)c2cc(Br)ccc2OCc2ccccc2)C1 2299534640 GCUNAEYDDCXJKR-MOPGFXCFSA-N 454.202 6.279 50 10 JKGE C[C@]1([C@H](Br)c2sc(Cl)cc2I)C[C@H]1C(F)(F)F 2300952978 CXWWNZZOKJHQJH-CGMLFGJQSA-N 459.496 6.031 50 10 JKGE Clc1cc(I)c([C@H](Br)c2cc3sccc3s2)s1 2300954518 YYUMYYAAVJRAPX-SNVBAGLBSA-N 475.623 6.767 50 10 JKGE CCc1cc([N+](=O)[O-])ccc1-c1ccc(C=C(C#N)C(=O)Nc2ccc(Br)cc2C)o1 2313553095 FTBAAHAQOYIAAU-UHFFFAOYSA-N 480.318 6.034 50 10 JKGE Brc1ccc(OCc2ccccc2)c([C@H](Br)[C@]23CCC[C@@H]2OCC3)c1 2314451783 HXDCHCOKRDIWJO-ACRUOGEOSA-N 466.213 6.423 50 10 JKGE COc1ccc(N2C(=O)[C@@H](Cc3cccc(C)c3)SC2=C(C#N)C(=O)Nc2ccccc2)cc1 2314591665 ATCAZDKCNDCXPN-XMMPIXPASA-N 469.566 5.069 50 10 JKGE COc1cc(F)cc([C@H](Br)c2sc(Cl)cc2I)c1 2316596354 DGWKETKDXZLEPY-NSHDSACASA-N 461.521 5.638 50 10 JKGE Clc1cc(I)c([C@@H](Br)[C@@H]2C[C@H]2C2CCCCC2)s1 2316596821 JQXXKBQWRYIMGW-CWSCBRNRSA-N 459.618 6.659 50 10 JKGE COc1cc([C@H](Br)c2sc(Cl)cc2I)ccc1F 2316598695 GMUUDWKAXCBMIN-NSHDSACASA-N 461.521 5.638 50 10 JKGE COc1ccc(Br)cc1[C@@H](Br)c1csc(C)c1Br 2320481974 XOUDBPLUIAEBBX-CYBMUJFWSA-N 455.009 6.074 50 10 JKGE Cc1ccc(CBr)c(OCc2ccc(Br)s2)c1Br 2327534431 PQGCDOAUXFNMSK-UHFFFAOYSA-N 455.009 6.055 50 10 JKGE FC(F)(F)[C@H]1C[C@@H]([C@@H](Br)c2cc(Br)ccc2Br)C1 2327678781 ZAEICTNPOUXJDZ-PTZCXBDSSA-N 450.918 6.236 50 10 JKGE CCc1ccc(C(C)=CC(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)Nc2ccc(SC#N)cc2)cc1 2329502904 NDUVMCYOWAOPMB-SANMLTNESA-N 485.609 5.297 50 10 JKGE Cc1ccc2c(c1)nc(C(C#N)=Cc1ccc(OCc3ccc(Br)cc3)cc1)n2C 2331018520 GHAMJTIOOUZGLY-UHFFFAOYSA-N 458.359 6.287 50 10 JKGE CCc1cccc(C)c1N1C[C@@H](C(O)=C(C#N)c2nc(-c3cc(C)ccc3C)cs2)CC1=O 2331319871 VMEFOJRLRYYAQW-FQEVSTJZSA-N 457.599 6.144 50 10 JKGE COc1ccc(C)cc1-c1csc(C(C#N)=C(O)c2c(Cl)ccc(Cl)c2Cl)n1 2331324309 ICMDWHNMJASUTK-UHFFFAOYSA-N 451.762 7.037 50 10 JKGE COc1ccc(C(C)(C)C)cc1-c1csc(C(C#N)=C(O)c2c(Cl)ccc(Cl)c2Cl)n1 2331350940 FPOARGZCZXWSRP-UHFFFAOYSA-N 493.843 8.026 50 10 JKGE COc1cc(C)c(-c2csc(C(C#N)=C(O)c3c(Cl)ccc(Cl)c3Cl)n2)cc1C(C)C 2331356037 HQSXUUCLDXXAJK-UHFFFAOYSA-N 493.843 8.161 50 10 JKGE COc1ccc(-c2csc(C(C#N)=C(O)CCCOc3c(C)cccc3C)n2)cc1Cl 2331398362 LZTUHZBJTCRAAQ-UHFFFAOYSA-N 454.979 6.741 50 10 JKGE Cn1cc([C@@H](Cl)c2c(Cl)cc(Br)c(F)c2Br)c(Br)n1 2337087735 CFTRXLDPDMPBDX-SECBINFHSA-N 495.799 5.828 50 10 JKGE Fc1c(Br)cc(Cl)c([C@H](Br)[C@@H]2[C@H]3[C@H]4C[C@@H]2C[C@H]43)c1Br 2337106113 FFBCCWCTJAHZCO-NWBCHXSASA-N 473.405 6.342 50 10 JKGE Cc1ccc(C)c(C[C@H](Br)c2c(Br)c(Br)nn2C)c1 2338691807 WRSGKJWMJPWABH-NSHDSACASA-N 451.000 5.241 50 10 JKGE CC[C@]1([C@@H](Br)c2c(C)cc(Br)c(F)c2Br)CC1(F)F 2339653834 NIOHNUGLPXBXHM-NWDGAFQWSA-N 464.945 6.531 50 10 JKGE COc1c(Br)cc(C)c([C@@H](Br)[C@H]2CC23CCC3)c1Br 2339656615 PLUZFSQJQOWPSQ-SKDRFNHKSA-N 453.012 6.155 50 10 JKGE Cl[C@@H]1CCC2(CCC2)N(Cc2ccc(I)c(Br)c2)C1 2349824514 MQBJVPVUDUFZBM-GFCCVEGCSA-N 454.577 5.180 50 10 JKGE BrCC(CBr)(C[C@@H]1C[C@@H]2CC[C@H]1O2)c1cccc(Br)c1 2354998011 FBGRLMVBMGPTAG-TUKIKUTGSA-N 467.039 5.434 50 10 JKGE COc1cccc(OC)c1[C@@H](Br)c1cc(Br)ccc1OCc1ccccc1 2361178297 MZAHEWGCIKNMBG-QFIPXVFZSA-N 492.207 6.530 50 10 JKGE Cc1cc(Br)c(CBr)c(N2CCc3scc(Br)c3C2)c1 2361580717 IMQRMGJFNXIMAY-UHFFFAOYSA-N 480.063 6.039 50 10 JKGE CC[C@]12CO[C@]([C@H](Br)c3c(Cl)cc(Br)c(F)c3Br)(C1)C2 2362233227 YBJPXXVUDJWJLH-MCIONIFRSA-N 491.420 6.399 50 10 JKGE Fc1c(Br)cc(Cl)c([C@H](Br)C[C@@H]2CCC[C@@H]3C[C@H]23)c1Br 2362239664 MMKMFIUGSWUGFG-XFWSIPNHSA-N 489.448 7.266 50 10 JKGE C[C@@H]1CCCC[C@@]12[C@@H](Oc1cc(Br)cc(I)c1)C[C@H]2Cl 2364108609 ZCLMQNBMDQEPPP-HGGPSHQYSA-N 469.588 6.009 50 10 JKGE CCCc1cc(CCl)cc(Oc2cc(Br)cc(I)c2)n1 2364270406 DDUWKFBCZBHXEU-UHFFFAOYSA-N 466.544 5.932 50 10 JKGE CC(C)c1ncc(Oc2cc(Br)cc(I)c2)c(CCl)n1 2364272543 VOZRDYVORWLASL-UHFFFAOYSA-N 467.532 5.498 50 10 JKGE Cc1cccc([C@@H](Br)c2c(C)cc(Br)c(F)c2Br)c1F 2365180575 SJKHRUHOPBIBRB-GFCCVEGCSA-N 468.961 6.591 50 10 JKGE C[C@@H]1CCC[C@]12[C@H](Cl)C[C@H]2OCc1cc(I)ccc1Br 2367610486 HTMILXQTJWHYCZ-HMTTWLPMSA-N 469.588 5.756 50 10 JKGE CC(C)(C)OC(=O)N(CC(F)F)[C@H]1CCCN(C[C@@](C)(CBr)C(C)(C)C)C1 2380167422 GUGVPNZWQLNYGQ-MGPUTAFESA-N 455.428 5.400 50 10 JKGE Cc1ccc(N2C(=O)[C@@H](Cc3cccc(C)c3)S/C2=C(\C#N)C(=O)NCCc2ccccc2)cc1 16739717 TWRANUWTXFANDP-VOUPIIBTSA-N 481.621 5.089 50 10 JKGE Cc1cc(C(=O)/C(C#N)=C2\C(O)=Nc3ccc([N+](=O)[O-])cc32)c(C)n1-c1cccc(C(F)(F)F)c1 33783814 SLXDLBGLQXGHFM-VZCXRCSSSA-N 480.402 5.783 50 10 JKGE CC(C)c1ccc(/C=C(/C#N)C(=O)Nc2ncc(Cc3ccc(Br)cc3)s2)cc1 33785090 QHLNFOIZLLTDAB-ODLFYWEKSA-N 466.404 6.165 50 10 JKGE N#C/C(=C\c1ccc(-c2ccc(C(=O)O)cc2)o1)C(=O)Nc1ccc(Cl)c(C(F)(F)F)c1 35518471 QDEIECVRXWSBDL-NTEUORMPSA-N 460.795 5.863 50 10 JKGE CC(C)c1ccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)[C@@H](C)Oc4ccccc4F)ccc32)cc1 38649525 LECCSBQRPRWUJM-WGDIFIGCSA-N 472.516 5.540 50 10 JKGE CC(C)(C)c1ccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)COc4ccccc4)ccc32)cc1 38649713 SQFQJDHLCZVAHR-AREMUKBSSA-N 454.526 5.187 50 10 JKGE Cc1ccc(C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@@H]3c2ccc(Br)cc2)cc1 38651565 CXVRIWWDBLZCFJ-JOCHJYFZSA-N 461.315 5.195 50 10 JKGE N#CC1=C(N)Oc2cc(OC(=O)c3cccc([N+](=O)[O-])c3)ccc2[C@H]1c1cccc2ccccc12 38657974 PTARPIKFUIHWBT-RUZDIDTESA-N 463.449 5.185 50 10 JKGE CCCCOc1ccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4cccc(C)c4)ccc32)cc1OC 38660049 ILGIAYJUWNDELR-HHHXNRCGSA-N 484.552 5.620 50 10 JKGE CCc1ccc(OCC(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@@H]3c2c(Cl)cccc2Cl)cc1 38679965 CIOUAKOMRAPBQV-XMMPIXPASA-N 495.362 5.758 50 10 JKGE COc1cccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4oc5ccccc5c4C)ccc32)c1 38687311 BUVPHZWEIYDKND-XMMPIXPASA-N 452.466 5.187 50 10 JKGE Cc1c(C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@@H]3c2ccco2)oc2cc(Br)ccc12 38688529 NCXLZLKMDUNRLT-OAQYLSRUSA-N 491.297 5.534 50 10 JKGE Cc1ccc2[nH]c(-c3ccccn3)c(CCCC(=O)NNC(=O)c3ccccc3Br)c2c1 39852559 APKSKOOUFKGLEA-UHFFFAOYSA-N 491.389 5.085 50 10 JKGE Cc1c(C(=O)Nc2nc3ccccc3s2)oc2c1/C(=N/NC(=O)c1ccc(F)cc1)CCC2 40811922 XIIRKRCLKPYLNJ-OGLMXYFKSA-N 462.506 5.060 50 10 JKGE Cc1c(C(=O)Oc2cccc3ccccc23)oc2c1/C(=N/NC(=O)c1ccc(F)cc1)CCC2 40811956 HRFWYLMEFGDFDL-XHLNEMQHSA-N 456.473 5.570 50 10 JKGE COc1cc(/C=C2/C(=O)N([C@@H](C)c3ccccc3)C(=O)C(C#N)=C2C)ccc1OCc1ccccc1F 101337960 SFFGMRPFSPWWLN-UDIPQKBFSA-N 496.538 5.767 50 10 JKGE CCOC(=O)Nc1sc(/C(C#N)=C\c2cc(OC)ccc2OC)nc1-c1ccc(Cl)cc1 102622070 OONBMEZYIPCVSH-WJDWOHSUSA-N 469.950 6.113 50 10 JKGE CCc1cccc(C)c1N/C(SCc1ccc(C)cc1C)=C(\C#N)S(=O)(=O)c1ccccc1 104689328 GJWALYINMJEPBL-RFBIWTDZSA-N 476.667 6.686 50 10 JKGE CCOc1ccc([C@H](Br)Cc2ccc(Br)cc2)c(Br)c1 123735503 NKCCYPQTJSGZBY-OAHLLOKOSA-N 463.007 6.289 50 10 JKGE Cc1cc(Br)c([C@@H](Cl)c2ccc(Br)c(Cl)c2)cc1Br 128668720 VGFMYIAJUGZUES-AWEZNQCLSA-N 487.844 7.264 50 10 JKGE Brc1ccccc1[C@H](Br)c1csc2c(Br)cccc12 163383615 SUVDMQNZAHXDFZ-AWEZNQCLSA-N 461.016 6.911 50 10 JKGE CCOc1c(Cl)cc(/C=N\NC(=O)c2ccc3nc(SC(C)C)[nH]c3c2)cc1Cl 169917891 FYZPDAKOORUMBT-RMORIDSASA-N 451.379 5.533 50 10 JKGE CC(C)(C)[Si](C)(C)OC[C@@H]1O[C@@H](n2cnc3c(N)ncnc32)C[C@H]1O[Si](C)(C)C(C)(C)C 195784098 JEDIATUHRBNRLS-IXDOHACOSA-N 479.774 5.108 50 10 JKGE CCOc1ccccc1[C@@H]1C(C#N)=C(N)Oc2cc(OC(=O)/C=C\c3ccc(C(C)(C)C)cc3)ccc21 205642295 LDXBBFJNBIBWJS-LGOLVEFXSA-N 494.591 6.220 50 10 JKGE CCOc1ccc([C@H](Br)c2ccc(C)c(Br)c2)cc1Br 228997164 FGLNQQFXDIRNRZ-MRXNPFEDSA-N 463.007 6.403 50 10 JKGE CC(C)(C)c1ccc([C@@H](Cl)c2cc(I)ccc2Br)s1 232562979 ZZUMCHAFWFZJTB-AWEZNQCLSA-N 469.613 6.741 50 10 JKGE Cc1cc([C@H](Cl)c2cc(Br)ccc2I)c(F)cc1F 235879286 PHHSFSZCYSXDON-AWEZNQCLSA-N 457.483 5.969 50 10 JKGE Clc1ccc([C@H](Br)c2cc(Cl)c(Br)s2)cc1Br 236066242 DZBHUGVCVKIXLL-JTQLQIEISA-N 479.846 7.064 50 10 JKGE Fc1cc(Br)c(Cl)cc1[C@H](Cl)c1cc(Cl)ccc1I 236232540 RZPNZJOGTIJPCP-ZDUSSCGKSA-N 494.356 6.828 50 10 JKGE Cc1c(C(=O)NN=Cc2ccc(C(C)C)cc2)sc(N=Cc2ccc(C(C)C)cc2)c1C#N 254820659 VMAWACRIPPWQBC-UHFFFAOYSA-N 456.615 6.690 50 10 JKGE COc1cc(C=NNC(=O)[C@H](C)Oc2ccc(C)cc2Br)ccc1OCc1ccccc1 256017320 FJNPWMUVGFSORM-SFHVURJKSA-N 497.389 5.263 50 10 JKGE C[C@@H]1CCC[C@H](CO[C@](C)(CI)c2ccccc2Br)C1 379879432 OSKANVKKOACDCF-JKIFEVAISA-N 451.186 5.942 50 10 JKGE COc1ccc([C@H](Br)c2cc(Br)oc2C)c(OC)c1Br 396630713 ZLFAMANHZOLOKQ-LBPRGKRZSA-N 468.967 5.615 50 10 JKGE C[C@]12CCC(=O)C=C1CC[C@H]1[C@H]2[C@H](O[Si](C)(C)C)C[C@]2(C)[C@@H]1CC[C@]2(C#N)O[Si](C)(C)C 503938990 XJMCXAZKIBJUJN-NHQGBICISA-N 473.806 6.462 50 10 JKGE Cc1ccc(S(=O)(=O)N/N=C(\c2ccccc2)c2ccc(O[Si](C)(C)C(C)(C)C)cc2)cc1 504537301 HDUGQFFYOJGPGR-IMVLJIQESA-N 480.706 6.110 50 10 JKGE in-vitro CC(C)(C)[Si](C)(C)OCCN1CCOCC[C@H]1c1cccc(CO[Si](C)(C)C(C)(C)C)c1 616655777 BIWRYVJFJVADMW-DEOSSOPVSA-N 479.854 6.994 50 10 JKGE CC(C)(C)[Si](C)(C)OCCc1ccc([C@H]2CNc3ccccc3N2Cc2ccccc2)cc1 616691830 PHTBVIUMNJHCNB-MUUNZHRXSA-N 458.722 7.424 50 10 JKGE COCc1cc(Br)c([C@H](Cl)c2sccc2I)s1 710951481 KWHAAUMPXUMLSP-VIFPVBQESA-N 463.587 5.651 50 10 JKGE O=C(NN=Cc1ccc(Oc2ccc(C(F)(F)F)cc2[N+](=O)[O-])cc1)c1cccc2ccccc12 1084087742 BQKAUOFNOBRAFT-UHFFFAOYSA-N 479.414 6.323 50 10 JKGE CCOc1ccc([C@@H](O)CCC(=O)NN=Cc2cn(Cc3ccc(Cl)cc3)c3ccccc23)cc1 1084373243 JAFHVPKPXHGROS-MHZLTWQESA-N 490.003 5.706 50 10 JKGE COc1ccc(Oc2ccc(C(F)(F)F)cc2[N+](=O)[O-])c(C=NNC(=O)c2ccc(F)cc2)c1 1084567658 XSJWHRARYJRHRI-UHFFFAOYSA-N 477.370 5.318 50 10 JKGE CCCOc1ccc(Br)cc1C=NNC(=O)[C@@H](C)Oc1ccc2ccccc2c1 1084609242 QLFMFHVUFDUGBD-MRXNPFEDSA-N 455.352 5.309 50 10 JKGE CC(C)CCC[C@H](C)[C@@H]1CC[C@H]2[C@@H]3CC=C4CC[C@@H](OC(=O)CCCl)C[C@]4(C)[C@H]3CC[C@]12C 1857624672 YALMZSOWQWEZFX-SGZRRARKSA-N 477.173 8.569 50 10 JKGE CCc1nn(Cc2ccc(C)cc2)c2c1[C@H](c1ccc(OCc3ccc(C)cc3)cc1)C(C#N)=C(N)O2 1865693438 OMUDPRZGVCCSGZ-MUUNZHRXSA-N 490.607 5.908 50 10 JKGE CCCC[C@@H](NC(=O)[C@H](c1ccc(OC)c(OC)c1)C(C)C)C(=O)Nc1ccc(SC#N)cc1 1866998190 VDSDRYIHYBGZMW-QPPBQGQZSA-N 483.634 5.330 50 10 JKGE CCCOc1ccc(C/C(O)=C(\C#N)c2nc(-c3cc(Cl)cc(Cl)c3OC)cs2)cc1 1872754379 QCHRPHBJGPWVAS-UZYVYHOESA-N 475.397 6.950 50 10 JKGE CCOc1ccc(/C=C(\C#N)c2nc(-c3cc(Cl)c(OC)cc3OC)cs2)cc1OC 1872793611 JZSVMNYRANSBLY-OVCLIPMQSA-N 456.951 5.952 50 10 JKGE CCCOc1ccc(-c2csc(/C(C#N)=C(\O)CCCOc3ccc(C)cc3)n2)cc1OCCC 1872818145 OJXGCENQJIDXJG-BZZOAKBMSA-N 492.641 7.348 50 10 JKGE Cl[C@@H](c1cscc1OCc1ccccc1)c1cc(Br)ccc1OCc1ccccc1 1899866001 LYTCNYMPGZIFEU-RUZDIDTESA-N 499.857 7.997 50 10 JKGE CN(Cc1ccccc1)[C@H](Cn1c(CCl)nc2c(Br)cc(F)cc21)C1CC1 1912663756 JDCOAISXAMHTHO-LJQANCHMSA-N 450.783 5.587 50 10 JKGE C[C@@H](c1cccs1)N(Cc1ccccc1)S(=O)(=O)c1cc(CCl)ccc1Br 1914890894 JTKUYERKUBQFHX-HNNXBMFYSA-N 484.868 6.202 50 10 JKGE CC(C)[C@@H](CBr)N(Cc1ccccc1)C(=O)c1ccc(C(F)(F)F)c(Cl)c1 1915295190 HURWOMRUXVCCHU-GOSISDBHSA-N 462.737 6.421 50 10 JKGE Brc1cc(Br)c([C@H](Br)[C@H]2COc3ccccc3O2)s1 1922953496 DNUTZZDEKWFBEJ-ZYHUDNBSSA-N 468.992 5.549 50 10 JKGE Clc1cccc([C@@H](Cl)c2c(Br)sc(Br)c2Cl)c1Cl 1923041003 XYJBJGHGPCCZAY-MRVPVSSYSA-N 469.840 7.562 50 10 JKGE Cl[C@H](c1c(Br)sc(Br)c1Br)[C@@H]1C[C@H]2C[C@H]2CO1 1924570926 NOJHHECQNOAMJC-OLHMAJIHSA-N 465.432 5.741 50 10 JKGE Clc1sc(Br)c(Cl)c1[C@H](Br)[C@@H]1CCC[C@H]2CCCC[C@@H]21 1925562478 XZEYBBOMMILFMR-DTHBNOIPSA-N 461.090 7.860 50 10 JKGE Cc1cc(Br)sc1[C@@H](Br)c1cc(Cl)cc(Br)c1 1950208917 WQNHIQZOZYOZDR-NSHDSACASA-N 459.428 6.719 50 10 JKGE Fc1cscc1[C@H](Cl)c1c(Br)sc(Br)c1Br 1982837890 PTIYYAANACFCGF-ZETCQYMHSA-N 469.420 6.564 50 10 JKGE Cc1sc([C@@H](Br)c2cc(I)sn2)c(C)c1Br 1983293669 WKYDMAMDKNKZLT-VIFPVBQESA-N 493.027 5.673 50 10 JKGE Cn1nc([C@H](Br)c2cc(Br)c(Cl)s2)c(Br)c1Cl 2001990547 CVCAGPPTVLRZGH-RXMQYKEDSA-N 483.838 5.798 50 10 JKGE Fc1cc(Br)cc(N2CC[C@H](COCc3ccccc3)C2)c1CBr 2004045015 AUIOZBQOZSQFGT-HNNXBMFYSA-N 457.181 5.526 50 10 JKGE Cc1sc(C)c([C@H](Br)c2c(Br)cccc2Br)c1C 2033090934 LFBBDFCXKOGHFD-AWEZNQCLSA-N 453.037 6.683 50 10 JKGE Cc1cc(Br)c(CBr)c(N2CCCN(Cc3ccccc3)C[C@H]2C)c1 2053202491 KGXCWSXUPQWIBP-QGZVFWFLSA-N 466.261 5.753 50 10 JKGE Cc1cc(C)c(NC(=O)C(C#N)=C2C(=O)N(Cc3ccccc3Cl)c3ccccc32)c(C)c1 2059876203 NESUTXNZVGSGIK-UHFFFAOYSA-N 455.945 5.728 50 10 JKGE COC[C@@H]1CC[C@H]([C@H](Br)c2sc(Br)c(C)c2Br)C1 2061292683 LNVLKKVTCSJIBT-YWVKMMECSA-N 461.057 6.080 50 10 JKGE CC1(C)[C@H](Br)/C(=C\Br)c2cccc3c2N1C(=O)/C3=N\Nc1ccccc1 2087930106 AOTAILMKSUIMHL-HZHQJHMYSA-N 475.184 5.141 50 10 JKGE O=C(N[C@H]1CCCC[C@H]1CCBr)c1cc(Br)c(Br)s1 2090566118 BETQGTCOCXYQJE-WPRPVWTQSA-N 474.056 5.347 50 10 JKGE CC1(C)CCN(C(=O)c2csc(Br)c2Br)C[C@H]1CBr 2093941898 FLFMDMWEBQTMLG-MRVPVSSYSA-N 474.056 5.156 50 10 JKGE Brc1cccc(CN2C[C@H]3[C@H](Br)CCC[C@H]3C2)c1Br 2094583924 YCFVGFOHDKGLAG-CYZMBNFOSA-N 452.028 5.207 50 10 JKGE FC(F)(F)c1sccc1[C@H](Br)c1cc(Br)ccc1Br 2101427669 UBTQFIYVFQABDV-JTQLQIEISA-N 478.953 6.776 50 10 JKGE Clc1cccc(Cl)c1C[C@@H](Cl)c1ccc(I)c(Br)c1 2104775903 KWIMGQMPJIJQFK-CYBMUJFWSA-N 490.393 6.883 50 10 JKGE Clc1c(Br)cccc1C[C@H](CBr)c1cccc(Br)c1 2110525463 DEAXHOIFDQILNR-GFCCVEGCSA-N 467.426 6.586 50 10 JKGE Cc1cc(Br)cc(Oc2c(CBr)ccc(Br)c2Cl)c1 2112400126 CZNGTXWAUGEAPY-UHFFFAOYSA-N 469.398 6.861 50 10 JKGE Cc1ccc([C@H](Br)c2cc(I)ccc2F)c(C)c1Br 2113350365 CVSGPFJTQWAXAH-HNNXBMFYSA-N 497.971 6.294 50 10 JKGE CC1(C)CCCN(C(=O)c2cc(Br)c(Br)s2)[C@@H]1CBr 2129324625 KZTGENVGSWASCZ-SNVBAGLBSA-N 474.056 5.299 50 10 JKGE CCCC[C@H](CC)[C@H](Br)c1c(C)c(Br)cc(C)c1Br 2136381098 YDCBZSWBVRVGSQ-LRDDRELGSA-N 455.072 7.481 50 10 JKGE Cc1sc(Br)cc1[C@H](Cl)c1c(Br)cc(F)c(Cl)c1F 2136963667 IBVYBBMLDBHZLL-JTQLQIEISA-N 450.957 6.841 50 10 JKGE COc1c(Br)cc(C)cc1[C@@H](Cl)c1csc(Br)c1Br 2139006316 SDEWWQNMMRONMJ-LLVKDONJSA-N 489.454 6.681 50 10 JKGE CC(C)(C)C[C@@H](CCl)CNC(=O)c1cc(I)ccc1Br 2156326060 JTFKKMRNQIDIMQ-JTQLQIEISA-N 472.592 5.075 50 10 JKGE COc1ccc(C[C@@H](Br)c2ccc(Br)cc2Br)cc1F 2168401778 IHIRPMWHJIWRFJ-GFCCVEGCSA-N 466.970 6.038 50 10 JKGE COc1cc([C@H](Br)c2nc(C)sc2Br)c(OC)cc1Br 2169495091 KGCPQAJSNJKJAR-NSHDSACASA-N 486.023 5.478 50 10 JKGE Cc1nc([C@H](Br)c2ccc(Br)c3ccccc23)c(Br)s1 2169496877 UVJODESUCLZWFQ-CYBMUJFWSA-N 476.031 6.614 50 10 JKGE CC(C)(C)[C@@H]1C[C@@H](CCl)CN(c2ncc(I)cc2Br)C1 2189899184 ATZHLHUMIHAPRI-WDEREUQCSA-N 471.608 5.176 50 10 JKGE Cc1cc(Br)c([C@@H](Br)C23CCC(C)(CC2)OC3)cc1Br 2190080979 SEMZSOFTUASKLU-QQFBHYJXSA-N 467.039 6.305 50 10 JKGE CC1(C)CC[C@@H](c2sc(Br)c(Br)c2Br)C[C@H]1Cl 2216398756 YEPYTLXYLIOWDT-RNFRBKRXSA-N 465.476 6.937 50 10 JKGE Cc1oc(Br)cc1[C@H](Br)c1c(F)cc(F)c(Br)c1F 2227810807 YKSDPFKXXDVQBN-JTQLQIEISA-N 462.885 6.015 50 10 JKGE Cc1ccc([C@H](C)[C@@H](Cl)c2c(Br)sc(Br)c2Br)cc1 2232081528 JUTLRINQJYLOMX-QPUJVOFHSA-N 487.482 7.428 50 10 JKGE C[C@H](Cl)c1nc2c(F)cc(Br)cc2n1C(C)(C)CN(C)Cc1ccccc1 2232916659 SUWLADUKKRITKE-AWEZNQCLSA-N 452.799 6.105 50 10 JKGE COc1cc(F)c(Br)cc1[C@H](Br)c1sc(C)c(Br)c1C 2234463710 ILTZTWJSHISYCQ-ZDUSSCGKSA-N 487.026 6.522 50 10 JKGE CC(C)CCC[C@H](C)CCO[C@](C)(CI)CNC(=O)OC(C)(C)C 2248814993 FUVNXXXZSSWHRZ-QFBILLFUSA-N 455.421 5.574 50 10 JKGE CCc1cc([C@@H](Cl)c2ccc(Br)cc2Br)sc1Br 2255987995 GOOBEZHGIAQKRR-LBPRGKRZSA-N 473.455 6.926 50 10 JKGE COc1ccc([C@@H](Cl)c2ccccc2OCc2ccccc2)cc1I 2257374017 PYFVHYCNGLQRKO-OAQYLSRUSA-N 464.730 6.207 50 10 JKGE Cn1nc(Br)c([C@@H](Br)c2cc3sc(Br)cc3s2)n1 2263622980 LFXAPHAFUQRRKN-QMMMGPOBSA-N 472.025 5.101 50 10 JKGE Brc1cc2sc([C@@H](Br)c3cc4cscc4s3)cc2s1 2278106089 JNUIKSVDHJTSFY-ZDUSSCGKSA-N 450.267 7.486 50 10 JKGE O=[N+]([O-])c1ccc(CBr)c(Oc2cc(I)ccc2Cl)c1 2288253036 SSTKJWNDCAKTTJ-UHFFFAOYSA-N 468.472 5.540 50 10 JKGE CC1(C)CCC(C)(C)[C@H](Cc2cc(Br)ccc2Br)[C@@H]1Br 2290312010 VAEHMYKCBWJKSO-HIFRSBDPSA-N 467.083 6.980 50 10 JKGE N#CC(=Cc1c[nH]c2ccccc12)C(=O)Nc1ccc(NC(=O)C(C#N)=Cc2c[nH]c3ccccc23)cc1 2293034856 KJKCNNVQLARWAE-UHFFFAOYSA-N 496.530 5.741 50 10 JKGE N#CC(C(=O)Nc1ccccc1)=C1S[C@H](Cc2ccc(Cl)cc2)C(=O)N1c1ccc(F)cc1 2293038924 IMMVMQAZWAOHQD-JOCHJYFZSA-N 477.948 5.544 50 10 JKGE CCCc1ccc([C@@H](Br)Cc2cc(Br)cc(Br)c2)cc1 2295274526 LOBWZWCNQCBLOT-KRWDZBQOSA-N 461.035 6.843 50 10 JKGE CCCCOc1ccc(-c2nn(-c3ccccc3)cc2C=C(C#N)C(=O)NC2CCCCC2)cc1 2296706777 QTTKNDDYZIJTLD-UHFFFAOYSA-N 468.601 6.074 50 10 JKGE COC(=O)c1cc(NC=C(C#N)c2nc(-c3cccc(Br)c3)cs2)cc(C(=O)OC)c1 2296764730 FZSSHANPCZRAHJ-UHFFFAOYSA-N 498.358 5.122 50 10 JKGE N#CC(=Cc1ccc(-c2ccc(Br)cc2)o1)C(=O)Nc1sc2c(c1C(N)=O)CCCC2 2297497740 AKZSULXIEZHTTF-UHFFFAOYSA-N 496.386 5.294 50 10 JKGE CO[C@@H]1CC[C@H]1C[C@H](Br)c1ccc(OCc2ccccc2)cc1Br 2299499395 XRSNYCGKRQLXJH-ZAAXVRCTSA-N 454.202 6.279 50 10 JKGE CCC1CC(C[C@@H](Br)c2cc(Br)ccc2OCc2ccccc2)C1 2299505386 WMMWEKLAOAJGLV-MKJPBZQASA-N 452.230 7.290 50 10 JKGE CC1(C)CC(C)([C@@H](Br)c2cc(Br)ccc2OCc2ccccc2)C1 2299531816 ZPLFEHPDBHOHSG-IBGZPJMESA-N 452.230 7.290 50 10 JKGE CC1(C)COC[C@H]1[C@H](Br)c1ccc(OCc2ccccc2)cc1Br 2299624379 MIYPHOXQSIVKLZ-PKOBYXMFSA-N 454.202 6.137 50 10 JKGE FC1(F)C[C@]1(CBr)CSc1cc(I)ccc1Br 2306975839 OUDGNMVFONTJDF-JTQLQIEISA-N 497.968 5.566 50 10 JKGE N#CC(=Cc1cccc(OCc2ccc(Cl)cc2)c1)C(=O)Nc1cccc(Cl)c1Cl 2313630871 GUJJYPZXDOCBQV-UHFFFAOYSA-N 457.744 6.771 50 10 JKGE CCOc1cc(C=C(C#N)C(=O)Nc2cccc([N+](=O)[O-])c2)ccc1OCc1ccc(C)cc1 2313675618 GIDFLSROADNOGA-UHFFFAOYSA-N 457.486 5.427 50 10 JKGE Fc1cc(Cl)c(Br)c(Cl)c1[C@H](Cl)c1csnc1Br 2313740600 NCRBEHZWBAAJRZ-MRVPVSSYSA-N 454.373 6.442 50 10 JKGE Fc1cc(Cl)c(Br)c(Cl)c1[C@@H](Cl)c1cscc1OCc1ccccc1 2313746009 VYZGNAMCPKWCQG-KRWDZBQOSA-N 480.613 7.864 50 10 JKGE COc1ccc(N2C(=O)[C@@H](Cc3ccc(C)cc3)SC2=C(C#N)C(=O)Nc2ccccc2C)cc1 2314592128 MIAGDRLNEIMWTI-RUZDIDTESA-N 483.593 5.377 50 10 JKGE CC(C)c1ccc(N2C(=O)[C@H](Cc3ccc(F)cc3)SC2=C(C#N)C(=O)Nc2ccccc2)cc1 2314593501 OBGRWJYZXCJEBV-VWLOTQADSA-N 485.584 6.014 50 10 JKGE Cc1cocc1[C@@H](Br)c1c(Cl)cc(Br)c(F)c1Br 2315439571 GSPFTXDXQOUSBW-SNVBAGLBSA-N 461.350 6.390 50 10 JKGE Brc1cc([C@H](Br)c2cnsc2Br)cc2c1OCC2 2315615649 FECWZBNQXPMNPL-JTQLQIEISA-N 453.981 5.087 50 10 JKGE Brc1cccc(CN2CC[C@H]3C[C@H](Br)CC[C@H]32)c1Br 2328746773 DGKMLJRTNYPOGU-ZKYQVNSYSA-N 452.028 5.350 50 10 JKGE N#CC(=C(O)c1ccc2c(c1)C(=O)N(c1ccc(F)cc1)C2=O)c1nc(-c2ccc(F)cc2)cs1 2331344072 ORKJUCQVOKQEHL-UHFFFAOYSA-N 485.471 5.839 50 10 JKGE COc1ccc(C(C)(C)C)cc1-c1csc(C(C#N)=C(O)c2cc([N+](=O)[O-])cc([N+](=O)[O-])c2C)n1 2331350881 AVSCIALYBFJUQB-UHFFFAOYSA-N 494.529 6.191 50 10 JKGE COc1cc(OC)c(-c2csc(C(C#N)=C(O)CCCOc3ccccc3C)n2)cc1Cl 2331378641 LLSXMNLKYGXNRF-UHFFFAOYSA-N 470.978 6.441 50 10 JKGE COc1ccc(-c2csc(C(C#N)=C(O)[C@H](C(C)C)N3C(=O)c4ccccc4C3=O)n2)cc1Cl 2331398250 YECVTOVJMZJWDK-NRFANRHFSA-N 493.972 5.586 50 10 JKGE CCOc1cc(C=C(C#N)c2nc(-c3c(C)cc(C)cc3C)cs2)ccc1OCc1ccc(C)cc1 2331477434 QOFNYGGZVJFLBU-UHFFFAOYSA-N 494.660 8.086 50 10 JKGE COc1c(Br)cc(C)c([C@@H](Br)CCC(C)(F)F)c1Br 2339657588 ZKFQQJDONKGPMY-QMMMGPOBSA-N 464.970 6.400 50 10 JKGE COc1c(Br)cc(C)c([C@H](Br)c2sccc2C)c1Br 2339692587 ZSCCEOCPEJKWDB-LBPRGKRZSA-N 469.036 6.383 50 10 JKGE Cc1cc([C@@H](Br)c2ccc(Cl)cc2I)cc(C)c1F 2340067420 BSZOFDMCKMZNEW-CQSZACIVSA-N 453.520 6.185 50 10 JKGE COc1ccc([C@@H](Br)c2ccc(Cl)cc2I)cc1C 2340068023 IYBSZVSNXBILQR-OAHLLOKOSA-N 451.529 5.746 50 10 JKGE Clc1ccc(C[C@H]2C[C@H](Br)CC3(CCC3)C2)c(I)c1 2341027569 LRDNRWQMTOKEPC-AAEUAGOBSA-N 453.589 6.221 50 10 JKGE Clc1ccc(CC[C@@H](Br)CN2CCCCC2)c(I)c1 2341041237 KTFCRCSXQBGUAF-CYBMUJFWSA-N 456.593 5.127 50 10 JKGE Cc1ccc(CCl)c(OCc2cc(I)ccc2Br)n1 2341553419 XCSBRVPRIFNPLU-UHFFFAOYSA-N 452.517 5.075 50 10 JKGE Clc1ccc(I)cc1CN1C[C@H](Br)CC12CCCC2 2352416709 YJWRAMLBPZMDKB-GFCCVEGCSA-N 454.577 5.227 50 10 JKGE Fc1cc(Cl)c(Br)c(Cl)c1[C@@H](Br)[C@H]1CC12CC(F)(F)C2 2360425183 ACOYFKBCRMZKMR-ANLVUFKYSA-N 452.923 6.766 50 10 JKGE C[C@@H](C1CCCCC1)[C@H](Br)c1c(Cl)cc(Br)c(F)c1Br 2362222131 ALKLGQJGTZMEFZ-SDBXPKJASA-N 491.464 7.657 50 10 JKGE C[C@]12C[C@H](C1)[C@@H](COc1c(Br)cc(CBr)cc1Br)CO2 2363022762 YUEVCFPXMKUEHH-ZIBATOQPSA-N 469.011 5.300 50 10 JKGE O=C(c1cc(Br)c(Br)s1)N1C[C@@H]2C[C@H](CBr)C[C@@H](C2)C1 2369304930 CGYZNTMEDNUJLS-ILWJIGKKSA-N 486.067 5.156 50 10 JKGE Cc1cc([C@H](Br)c2cc3c(cc2Br)OCCC3)c(Br)s1 2369618055 GQMLWCAIRIJEIR-CQSZACIVSA-N 481.047 6.391 50 10 JKGE FC(F)(F)[C@H]1[C@H](Br)CCCN1Cc1ccc(Cl)cc1I 2370306066 QSNRITPZNLPMKB-ZYHUDNBSSA-N 482.509 5.235 50 10 JKGE BrCc1cc(Br)c(O[C@@H]2CCC[C@H]3CCO[C@@H]32)c(Br)c1 2380396342 UJJSBZICAXMFDI-GDLCADMTSA-N 469.011 5.443 50 10 JKGE C[C@](CI)(OC[C@@H]1C[C@@]12CC2(F)F)c1ccccc1Br 2380603369 VHIQUDZQFKZKTJ-ZLKJLUDKSA-N 457.096 5.161 50 10 JKGE CCc1cccc(CC)c1N/C(SCc1ccc(F)cc1)=C(/C#N)S(=O)(=O)c1ccccc1 20325440 JPMVAFKQGNWSIO-SHHOIMCASA-N 480.630 6.462 50 10 JKGE Cc1cc(C(=O)NNC(=O)c2ccccc2SCc2cn3ccccc3n2)c(C)n1-c1ccccc1 28279008 OTDPBEPUYKKHIO-UHFFFAOYSA-N 495.608 5.109 50 10 JKGE CCOc1c(Br)cc(/C=C(/C#N)C(=O)Nc2sc3c(c2C#N)CCCC3)cc1OC 35074279 LSULHXGSVCJQEF-ZSOIEALJSA-N 486.391 5.214 50 10 JKGE N#C/C(=C\c1ccc(-c2cc(C(F)(F)F)ccc2Cl)o1)C(=O)Nc1ccc([N+](=O)[O-])cc1Cl 35519136 ZQXDGZRVSQRVCV-YRNVUSSQSA-N 496.228 6.726 50 10 JKGE CC1(C)[C@]2(C)CC[C@@]1(C(=O)Oc1ccc(-c3ccc(C#N)cc3)cc1)[C@H](Br)C2=O 35548735 CUKGJUJWZUJTQA-FOVJLYNBSA-N 452.348 5.290 50 10 JKGE COc1cccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)Cc4cccc5ccccc45)ccc32)c1 38650197 DHOSNYABBFGNIO-MUUNZHRXSA-N 462.505 5.215 50 10 JKGE Cc1ccc(OCC(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@H]3c2ccc(Cl)cc2)cc1C 38651392 ZBXYDDPQTLZOHP-VWLOTQADSA-N 460.917 5.159 50 10 JKGE C[C@H](Oc1ccc(F)cc1)C(=O)Oc1ccc2c(c1)OC(N)=C(C#N)[C@@H]2c1c(F)cccc1Cl 38680437 HNRIAYALCAKOCV-WHEQGISXSA-N 482.870 5.209 50 10 JKGE CC(C)(C)c1ccc(Oc2nc3ccccn3c(=O)c2/C=C(/C#N)C(=O)Nc2ccc(Cl)cc2)cc1 39858510 IZYWIYCXOBMXLY-VLGSPTGOSA-N 498.970 5.983 50 10 JKGE N#C/C(=C\c1ccc(OC(=O)/C=C/c2ccccc2)cc1)c1nc(-c2ccc(Cl)cc2)cs1 39868035 PICIYOICINFVPN-UKEVSBBWSA-N 468.965 7.146 50 10 JKGE N#C/C(=C/c1cn(Cc2ccc(F)cc2)c2ccccc12)C(=O)Nc1ccc(Cl)c(Cl)c1 59117595 DWWJHPBTVXBECO-BOPFTXTBSA-N 464.327 6.681 50 10 JKGE CCOc1cc(/C=C(/C#N)C(=O)NCc2ccccc2)ccc1OCc1ccc(Cl)cc1Cl 59232861 YUTXJPQJJCKXFA-MTJSOVHGSA-N 481.379 6.194 50 10 JKGE Cc1cc(/C=C(\C#N)C(=O)Nc2ccc(Br)cc2)c(C)n1-c1ccc(C(=O)O)c(Cl)c1 59250416 FVCDAVYXWKGZNI-MHWRWJLKSA-N 498.764 5.754 50 10 JKGE COc1cc(/C=N/NC(=O)c2cc(Br)ccc2O)ccc1OCc1ccc(Cl)cc1 59922059 JUPODTJFNYVIEE-BRJLIKDPSA-N 489.753 5.160 50 10 JKGE CCCCCCCOc1ccc(C(=O)NNC(=O)c2ccc(OCCCCCC)cc2)cc1 100153824 JEDPBYKPDBRAJF-UHFFFAOYSA-N 454.611 6.070 50 10 JKGE CCOC(=O)c1c(-c2ccc(F)cc2)csc1NC(=O)/C(C#N)=C\c1ccc(Br)o1 102972706 ZLXLRPMIZRAVDA-LCYFTJDESA-N 489.322 5.632 50 10 JKGE Cc1cc(Br)c([C@@H](Br)c2ccccc2I)s1 114542667 HSTALUNZELYUGC-NSHDSACASA-N 471.983 5.908 50 10 JKGE Cc1cc([C@H](Br)c2cc3c(cc2Br)OCCO3)sc1Br 123418816 NZWNPTVSOFKGJN-CYBMUJFWSA-N 483.019 5.837 50 10 JKGE COc1c(C)cc(Br)c(C)c1[C@@H](Br)c1cc(Br)ccc1C 125708489 MKBDIVFLSGGESB-INIZCTEOSA-N 477.034 6.630 50 10 JKGE Cc1cc([C@@H](Br)c2cc(F)c(Br)cc2F)sc1Br 126061608 YCZILLNKVFRRKS-NSHDSACASA-N 460.963 6.344 50 10 JKGE CCCCNC(=O)/C(C#N)=C\c1ccc(OC(=O)/C(=C/c2ccccc2)c2ccccc2)cc1 207112810 LFOYVVQNSYDWOB-WZTMAAJMSA-N 450.538 5.656 50 10 JKGE CCCCCCN1C(=O)C(C#N)=C(C)/C(=C/c2ccc(OCc3ccc(F)cc3)c(OCC)c2)C1=O 214246723 SZUPQIBLMBNPPN-JLPGSUDCSA-N 490.575 5.976 50 10 JKGE CCOC(=O)c1ccccc1NC(=O)/C(C#N)=C\Nc1ccc(-c2nc3ccc(C)cc3s2)cc1 217156974 ROEWOKRAACDMQZ-MNDPQUGUSA-N 482.565 5.907 50 10 JKGE CCOc1ccc([C@H](Br)c2ccc(Br)cc2OC)cc1Br 228992402 VACHIICCSCMUAM-INIZCTEOSA-N 479.006 6.103 50 10 JKGE Fc1ccccc1C[C@H](Br)c1cc(Br)ccc1I 236180768 NARZLCZOQGJZKL-LBPRGKRZSA-N 483.944 5.872 50 10 JKGE O=C(Cc1cccc2ccccc12)NN=Cc1cc(N=Nc2ccc([N+](=O)[O-])cc2)ccc1O 254412479 VJSUNBGIOTXOCZ-UHFFFAOYSA-N 453.458 5.562 50 10 JKGE Cc1ccc(C(=O)Oc2ccc3ccccc3c2C=NNC(=O)COc2cccc3ccccc23)cc1 254525898 XOVICCAWHKGYDK-UHFFFAOYSA-N 488.543 6.050 50 10 JKGE Fc1cc(Br)ccc1[C@H](Br)c1cc2c(cc1Br)OCC2 308421215 XBCOQVWPNBCWLM-HNNXBMFYSA-N 464.954 5.770 50 10 JKGE Fc1cccc2nc(CCl)n(-c3ccc(I)c(Br)c3)c12 312284201 SNNJTGPJTNIQEM-UHFFFAOYSA-N 465.491 5.271 50 10 JKGE Cc1ccc(-n2c(CCl)nc3c(Br)cccc32)cc1I 381000410 KPLVJTCBHXSLGN-UHFFFAOYSA-N 461.528 5.440 50 10 JKGE O=C(OCc1ccccc1)N1C[C@H](CI)[C@H](c2ccc(Cl)c(F)c2)C1 382697668 BLEBEYSZLKBCSJ-HOTGVXAUSA-N 473.713 5.266 50 10 JKGE BrC[C@H](Cc1ccccc1Br)Cc1ccsc1Br 388874320 DEPYHPGXSAVOKS-SNVBAGLBSA-N 453.037 6.069 50 10 JKGE C[C@H](Cl)c1nc2cc(I)ccc2n1C[C@]1(C)CCCN1Cc1ccccc1 398080686 RRQPYUGFINNWOS-AOMKIAJQSA-N 493.820 5.995 50 10 JKGE Fc1cc(Br)c([C@@H](Cl)c2cc(Cl)ccc2I)c(F)c1F 398420849 BZRVTXQXTJUOEF-NSHDSACASA-N 495.891 6.453 50 10 JKGE COc1ccc(O[C@@H]2C[C@H](Br)C23CCCCC3)cc1I 712928212 AJAPORFJOMWZJT-LSDHHAIUSA-N 451.142 5.165 50 10 JKGE Cc1cc(Br)c([C@H](Br)c2sc(C)c(Br)c2C)cc1Cl 724916143 ULLFPCLGTOVZHQ-ZDUSSCGKSA-N 487.482 7.336 50 10 JKGE Cc1sc([C@H](Cl)c2cccc(F)c2I)c(C)c1Br 724920675 BPFDLIJJVPAAFJ-LLVKDONJSA-N 459.549 6.199 50 10 JKGE O=C(NN=Cc1ccc(Cl)cc1Cl)c1ccc(NC(=O)c2ccc(Br)cc2)cc1 725406623 PXLAYDMEHGSPNP-UHFFFAOYSA-N 491.172 5.772 50 10 JKGE O=C(NN=Cc1cc(Br)ccc1OCc1cccc(F)c1)c1ccc(Cl)cc1 1084092938 JUWLFQZJLHYWGO-UHFFFAOYSA-N 461.718 5.585 50 10 JKGE CCOc1cc(C=NNC(=O)CSc2nc3ccccc3[nH]2)ccc1OCc1ccc(Cl)cc1 1084281827 TZZZPUGXTZSJGK-UHFFFAOYSA-N 495.004 5.436 50 10 JKGE CCCCCCCCCCOc1ccc(C(=O)NN=Cc2cc(Cl)cc(Cl)c2O)cc1 1084452919 GONNZGJQLOKJLK-UHFFFAOYSA-N 465.421 6.982 50 10 JKGE CCOc1ccc(C(=O)NN=Cc2ccc(OCc3ccc(Cl)cc3Cl)c(OC)c2)cc1 1084598610 HLKDIIICFKEDPX-UHFFFAOYSA-N 473.356 5.744 50 10 JKGE Cc1cc(OCC(=O)NN=Cc2ccc(Br)cc2)c(C(C)C)cc1Br 1772754293 RVWFCBBVHHVCCB-UHFFFAOYSA-N 468.189 5.173 50 10 JKGE COc1ccc(-c2nn(-c3ccc(OC)cc3)c3c2[C@H](c2ccc(Cl)cc2)C(C#N)=C(N)O3)cc1 1865684084 SKVDAERNEVDPFO-HSZRJFAPSA-N 484.943 5.428 50 10 JKGE N#CC1=C(N)Oc2c(c(-c3ccccc3)nn2-c2ccccc2Cl)[C@H]1c1ccccc1Cl 1865685702 LSSIBTPTJFCRON-NRFANRHFSA-N 459.336 6.064 50 10 JKGE COc1ccc(-c2nn(CC(C)C)c3c2[C@@H](c2c(OC)ccc4ccccc24)C(C#N)=C(N)O3)cc1 1865688148 KZMKTMBUQVRORU-RUZDIDTESA-N 480.568 5.595 50 10 JKGE CCCc1nn(-c2ccc(Cl)cc2)c2c1[C@@H](c1ccc(OCC)c(OCC)c1)C(C#N)=C(N)O2 1865688769 AEOYIIOOJUEXNI-QHCPKHFHSA-N 478.980 5.494 50 10 JKGE CCc1nn(-c2ccccc2)c2c1[C@H](c1ccc(OCc3ccc(C)cc3)c(OC)c1)C(C#N)=C(N)O2 1865695319 NJJPKEBXVHPNJE-HHHXNRCGSA-N 492.579 5.549 50 10 JKGE COc1cc([C@H]2C(C#N)=C(N)Oc3c2c(C(F)(F)F)nn3-c2ccc(C)cc2)ccc1OC(C)C 1865696398 FTUPCPZYIHJJRX-FQEVSTJZSA-N 484.478 5.214 50 10 JKGE N#CC1=C(N)Oc2c(c(-c3ccccc3)nn2-c2ccc(Br)cc2)[C@H]1c1cccs1 1865698319 PXXTVBUNEMXHPC-LJQANCHMSA-N 475.371 5.581 50 10 JKGE Cc1nn(-c2ccccc2Cl)c2c1[C@@H](c1cccc(OCc3ccccc3)c1)C(C#N)=C(N)O2 1865712419 XXGWWZRAUZPIRU-VWLOTQADSA-N 468.944 5.631 50 10 JKGE Cc1nc(-c2ccc(Cl)cc2Cl)ccc1C(=O)N/N=C\c1ccc(Cl)c([N+](=O)[O-])c1 1865760576 FCYJHHAQKOCTMG-VROXFSQNSA-N 463.708 5.689 50 10 JKGE CCCC[C@@H](NC(=O)[C@@H](c1ccc(OC)cc1)C(C)C)C(=O)Nc1ccc(SC#N)cc1 1866979571 KAQUNYZLGIFQAT-DHIUTWEWSA-N 453.608 5.322 50 10 JKGE N#C/C(=C(/O)c1cccc(Oc2ccccc2)c1)c1nc(-c2ccc3c(c2)CCCC3)cs1 1872745505 QDWVMGPKIIACKZ-RFBIWTDZSA-N 450.563 7.431 50 10 JKGE COc1c(Cl)cc(-c2csc(/C(C#N)=C(O)/C(C#N)=C/c3ccccc3)n2)cc1Cl 1872755768 FDXBZBCDUHTQNB-YXIWQDNGSA-N 454.338 6.525 50 10 JKGE COc1ccc(-c2csc(/C(C#N)=C(O)/C=C/c3ccc(Cl)cc3Cl)n2)cc1Cl 1872757371 CFDLGKGENKEDKG-DTFOEHMXSA-N 463.773 7.285 50 10 JKGE CCCOc1ccc(-c2csc(/C(C#N)=C/c3cccc(OC)c3OCCC)n2)cc1OCCC 1872790162 OINJPGLNDKNGEW-CJLVFECKSA-N 492.641 7.249 50 10 JKGE CCOc1ccc(-c2csc(/C(C#N)=C/c3ccc(OCCc4ccccc4)c(OC)c3)n2)cc1 1872790281 XGOIFCLVUMGPPE-JJIBRWJFSA-N 482.605 6.903 50 10 JKGE N#C/C(=C\c1ccccc1OCc1ccccc1Cl)c1nc(-c2ccc(F)c(F)c2)cs1 1872793008 CTILYVDZMJBPNC-YBFXNURJSA-N 464.924 7.385 50 10 JKGE CC(C)(C)OC(=O)NC1CCC2(CC1)CC([C@H](CBr)NC(=O)OC(C)(C)C)C2 1885096368 IUMUSUXSWVTKQJ-SAAHUIRJSA-N 461.441 5.138 50 10 JKGE CC(C)(C)OC(=O)N[C@@H](CBr)[C@H]1CN(C(=O)OC(C)(C)C)C2(CCCCC2)C1 1885097605 SFFMMWMTLOSHBJ-CVEARBPZSA-N 461.441 5.235 50 10 JKGE Cl[C@H](c1ccc(OCc2ccccc2)cc1Br)c1nscc1Br 1899860890 IHNLKLXJCVXEKA-MRXNPFEDSA-N 473.617 6.575 50 10 JKGE CC[C@H](Br)CN(Cc1ccccc1)C(=O)c1ccc(Cl)c(Br)c1 1915077335 VCNZYTGUFKQYMD-HNNXBMFYSA-N 459.609 5.918 50 10 JKGE Cl[C@H](c1ccc2cc(Br)ccc2c1)c1sc(Br)cc1Br 1922888513 VUTSPTXKEBABPD-CQSZACIVSA-N 495.461 7.517 50 10 JKGE FC1(F)[C@@H]2CC[C@H]([C@@H](Cl)c3c(Br)sc(Br)c3Cl)C[C@H]21 1923040620 VUMZDCBROIQFFS-LENIQADQSA-N 454.989 6.888 50 10 JKGE Clc1c(Br)sc(Br)c1[C@H](Br)[C@@H]1C[C@H]2CCC[C@@H]21 1923068142 NNTLAFRCGWUXGE-JVZYCSMKSA-N 463.460 6.799 50 10 JKGE CN(C[C@H](Br)COCc1ccccc1)C(=O)c1cscc1OCc1ccccc1 1934835537 FXVGKLGVFMCIMN-FQEVSTJZSA-N 474.420 5.379 50 10 JKGE Cc1cc(Br)sc1[C@@H](Br)c1ccccc1OCc1ccccc1 1939452860 PIXXMQZTQOQQJR-SFHVURJKSA-N 452.211 6.882 50 10 JKGE Fc1ccc([C@H](Cl)c2sc(Cl)cc2Br)c(I)c1 1948823739 QUUBUTSXTGGGFY-JTQLQIEISA-N 465.940 6.236 50 10 JKGE FC(F)(F)C1CC([C@@H](Br)c2cc(Br)sc2Br)C1 1948915140 UZWGBNSSUFCZRC-MPKXYMLHSA-N 456.947 6.298 50 10 JKGE Cc1cc([C@H](Br)c2sccc2Br)ccc1I 1995254806 WRXBPWIJHSLOAX-NSHDSACASA-N 471.983 5.908 50 10 JKGE Cc1cc(Br)c(CBr)c(N(Cc2ccccc2)C[C@H]2CCCO2)c1 2005452207 FMYDEOLXFZUEGG-QGZVFWFLSA-N 453.218 5.838 50 10 JKGE Cc1c(Br)ccc([C@H](Br)c2coc(Br)c2)c1Br 2024278982 IVZKRVANUYNFAB-GFCCVEGCSA-N 487.811 6.360 50 10 JKGE Cc1c(Br)ccc([C@@H](Cl)c2ccsc2Br)c1Br 2024292887 FATRWTHBBQZSIT-LLVKDONJSA-N 459.428 6.672 50 10 JKGE Cc1cc([C@H](Br)c2sc(Br)cc2C)ccc1I 2026130212 CTRRGVCDXRWOHX-LBPRGKRZSA-N 486.010 6.216 50 10 JKGE Clc1ccc(Br)c(CC(CBr)(CBr)C2CCC2)c1 2029224477 IRJYJVCXAFQRQQ-UHFFFAOYSA-N 459.447 6.221 50 10 JKGE Clc1c(Br)sc(Br)c1[C@@H](Br)C1CC(CC2CC2)C1 2050218494 ZOLFUMYJXDDKOQ-KTOWXAHTSA-N 477.487 7.189 50 10 JKGE CCc1nn(C)c([C@@H](Br)c2cc(C)c(Br)s2)c1Br 2072302930 QNWRNSUTUOCZBV-JTQLQIEISA-N 457.029 5.362 50 10 JKGE CN(C[C@H]1C[C@H](Br)C1)C(=O)c1ccc(Br)c(NC(=O)OC(C)(C)C)c1 2076207627 FJCOXHASDNQBSS-AULYBMBSSA-N 476.209 5.042 50 10 JKGE Cc1cc(Cl)c(Br)cc1[C@H](Br)c1cc(Br)oc1C 2082381552 FVKUFWITHVMXMF-ZDUSSCGKSA-N 457.387 6.559 50 10 JKGE Clc1ccc(Br)cc1COc1ccc(Br)c(CBr)c1 2110517975 ILJTWOCHPJIMSI-UHFFFAOYSA-N 469.398 6.339 50 10 JKGE Fc1ccc(Br)c(F)c1C[C@@H](Br)c1ccccc1Br 2113445110 SQWMRFKKGCVYBT-GFCCVEGCSA-N 454.934 6.169 50 10 JKGE CN(c1cc(Br)ccc1CBr)[C@@H]1C[C@@H]2C[C@@H](OCc3ccccc3)C[C@H]21 2134012919 DJZBSMUDPRPPKY-RJJVWVDVSA-N 479.256 6.164 50 10 JKGE Brc1cc([C@H](Br)[C@@H]2C[C@@H]2C2CCCCCC2)c(Br)s1 2135275851 AWYFKJGCKLGYRW-JTNHKYCSSA-N 471.096 7.316 50 10 JKGE CCN(C[C@@](C)(CI)OC[C@@H]1C[C@H]1c1ccccc1)C(=O)OC(C)(C)C 2135987397 GQPMORXWWIWVJX-BBTUJRGHSA-N 473.395 5.257 50 10 JKGE Cc1cc(Br)c(C)c([C@H](Br)C2(C(F)(F)F)CC2)c1Br 2136369216 INVJOOPOROZMFV-NSHDSACASA-N 464.945 6.607 50 10 JKGE CCC[C@H](CC(C)C)[C@@H](Br)c1ccc(Br)c(C)c1Br 2138848182 DVKCBHABEXMINQ-MLGOLLRUSA-N 455.072 7.418 50 10 JKGE COCC1([C@H](Br)c2ccc(Br)cc2Br)CCCCC1 2138863449 ICODCKMGGYNDNV-CQSZACIVSA-N 455.028 6.245 50 10 JKGE CC(C)(C)O[C@H]1C[C@@H]([C@H](Br)c2ccc(Br)cc2Br)C1 2138867385 XKXIDARBXUBFOT-PXWWUCIGSA-N 455.028 6.241 50 10 JKGE Cc1c(Br)ccc([C@H](Br)[C@@H]2C[C@H]3O[C@H]2[C@@H]2C[C@H]32)c1Br 2138867806 YQQDJHCRMNHKPQ-HGIWNPJOSA-N 450.996 5.379 50 10 JKGE ClCc1cc(Br)c(OCc2c(Cl)cncc2Cl)c(Br)c1 2149793910 RJMCIPFZKXKJHF-UHFFFAOYSA-N 460.380 6.231 50 10 JKGE Cc1sc(Br)c([C@@H](Br)c2cc3c(cc2Br)OCC3)c1C 2157254778 LIRODQMHLWRUFA-AWEZNQCLSA-N 481.047 6.309 50 10 JKGE CC[C@H]1CN(C[C@@H](CBr)c2ccccc2)[C@H](CC)CN1C(=O)OCc1ccccc1 2162985595 HWTNWJRFUBXNMF-SMIHKQSGSA-N 473.455 5.677 50 10 JKGE COc1ccc([C@@H](Br)c2cc(Br)c(C)cc2Br)cc1Cl 2163397290 XKSAJQSMZAWSQY-OAHLLOKOSA-N 483.425 6.666 50 10 JKGE ClCc1nc2cc(Cl)c(Br)cc2n1C[C@@H]1CCCCN1Cc1ccccc1 2168998157 FHTSDHAMBWTNNM-INIZCTEOSA-N 467.238 6.246 50 10 JKGE C[C@@H](Br)C[C@@H]1CCCCCN1Cc1cc(Br)ccc1Br 2175153860 BUOAAAMQERUNIW-DOMZBBRYSA-N 468.071 6.130 50 10 JKGE CCCN[C@H](c1c(C)c(Br)cc(C)c1Br)[C@H]1C[C@@H](Br)C1 2201058555 CRSAUGYBVMVJMF-OZVIIMIRSA-N 468.071 6.043 50 10 JKGE Cc1c(Br)ccc([C@H](Br)c2cc3c(s2)CCSC3)c1Br 2203686212 OEMBQPBLWYHYQT-HNNXBMFYSA-N 497.115 6.855 50 10 JKGE FC(F)Oc1ccc([C@@H](Br)c2ccc(Br)cc2Br)cc1 2203689548 YPQLWDZWDRMNFW-CYBMUJFWSA-N 470.933 6.297 50 10 JKGE Cn1ncc([C@@H](Cl)c2cc(Br)c(Br)cc2F)c1Br 2218597939 PUDMKJBQSVZFBF-JTQLQIEISA-N 461.354 5.175 50 10 JKGE Fc1cc(Br)c(Br)cc1[C@@H](Br)C(F)(F)C(F)(F)F 2218598710 VQBZVXZFBKMTMT-SSDOTTSWSA-N 464.823 5.984 50 10 JKGE C[C@H]1CN(CCCCCI)c2ccccc2CN1C(=O)OC(C)(C)C 2220216579 SLSNQHZXWRXUGH-INIZCTEOSA-N 458.384 5.238 50 10 JKGE CC(C)(C)OC(=O)NCc1cccc2c1N(CCCCCI)CCC2 2220219243 XTPPPGJOCNLWPX-UHFFFAOYSA-N 458.384 5.069 50 10 JKGE Cc1sc([C@@H](Br)c2c(Br)sc(C)c2C)c(Br)c1C 2221833126 AEACUACUPOXPLJ-NSHDSACASA-N 473.093 7.053 50 10 JKGE Fc1cc(Br)c(Br)cc1[C@@H](Br)CC[C@H]1CCCCO1 2225615903 AUVYWWFGGDVDDD-KOLCDFICSA-N 458.991 6.136 50 10 JKGE Cc1cc(C)c([C@H](Br)c2c(Br)cc(C)c(Br)c2C)s1 2227362173 LDZXKLHQJWMHKR-CQSZACIVSA-N 467.064 6.991 50 10 JKGE Cc1cc([C@@H](Br)c2sc(Br)c(C)c2C)cc(C)c1Br 2227424752 NHHRFPAHCDUELQ-CYBMUJFWSA-N 467.064 6.991 50 10 JKGE Cc1nc([C@H](Br)c2c(F)cc(F)c(Br)c2F)c(Br)s1 2227807027 SNCILRLPLREQCD-MRVPVSSYSA-N 479.941 5.878 50 10 JKGE CC(C)([C@@H]1CCCO1)[C@H](Br)c1c(Br)cc(Cl)c(Cl)c1Cl 2232530744 UTYOLIMWUYVXKO-TVQRCGJNSA-N 465.440 7.051 50 10 JKGE Cc1cc([C@@H](Br)Cc2cc(Br)cc(Br)c2)sc1Cl 2263450645 OJNBBNSMNQQXTF-NSHDSACASA-N 473.455 6.914 50 10 JKGE FC1(F)C[C@H]([C@@H](Br)c2ccc(Br)cc2Br)C12CCC2 2266142648 MVYDBBMIZJJHNN-PWSUYJOCSA-N 458.966 6.473 50 10 JKGE Cc1coc(C)c1[C@H](Br)c1c(F)cc(Br)c(F)c1Br 2272733245 JANUJYSDTOSOKX-NSHDSACASA-N 458.922 6.184 50 10 JKGE Brc1cc(Br)cc(C[C@H](Br)C[C@@H]2CCC[C@@H]3C[C@H]23)c1 2277956183 PQHAERDHOGMVSI-RSUWNVLCSA-N 451.040 6.344 50 10 JKGE Brc1cc(Br)cc(C[C@@H](Br)[C@@H]2C[C@@H]3CC[C@H](C2)O3)c1 2277957923 YPEPCBKSXOIFCK-AQNFWKISSA-N 453.012 5.475 50 10 JKGE Brc1cccc(CN2C[C@H](Br)C[C@@H]3CCCC[C@@H]32)c1Br 2279529207 LVWUTDJSUMKJMO-LNSITVRQSA-N 466.055 5.740 50 10 JKGE COc1c([C@H](Br)c2cc(Br)sn2)cc(Br)c2c1CCC2 2284594584 XLVNVJSKIXRAAJ-ZDUSSCGKSA-N 482.035 5.650 50 10 JKGE CCCCOc1ccc(C=C(C#N)C(=O)Nc2ncc(Cc3ccc(C)c(Cl)c3)s2)cc1 2293038755 XVWPLRHLEDCXGN-UHFFFAOYSA-N 466.006 6.420 50 10 JKGE COc1ccc(Cl)cc1NC(=O)C(C#N)=Cc1cn(-c2ccccc2)nc1-c1ccccc1 2295326921 GWSHULSMOMYNGD-UHFFFAOYSA-N 454.917 5.747 50 10 JKGE Brc1cc(Br)cc(C[C@@H](Br)C[C@@H]2CCCCC23CC3)c1 2295335492 LBGVOIBYANLCPE-UONOGXRCSA-N 465.067 6.878 50 10 JKGE Brc1cc(Br)cc(C[C@H](Br)c2cccc(C3CC3)c2)c1 2295341282 BQMYCUHGFGZTFI-KRWDZBQOSA-N 459.019 6.768 50 10 JKGE Cc1ccc(NC(=O)C(C#N)=C2S[C@@H](Cc3ccc(F)cc3)C(=O)N2c2ccccc2)cc1Cl 2296506975 NWINUPDOWQAFKP-QHCPKHFHSA-N 491.975 5.853 50 10 JKGE C[C@@H]1C[C@H]([C@H](Br)c2cc(Br)ccc2OCc2ccccc2)[C@@H](C)O1 2299500611 HHDXLPMCPPUNEP-ILHOTROSSA-N 454.202 6.278 50 10 JKGE C[C@@H](C[C@H](Br)c1cc(Br)ccc1OCc1ccccc1)C(F)(F)F 2299500884 JKUVBSRBCFXSAN-LRDDRELGSA-N 466.135 7.053 50 10 JKGE N#CC(=Cc1ccc(-c2ccc(Br)cc2)o1)c1nc(-c2ccc(Cl)cc2)cs1 2314457021 RUOKUVWIAGNJPS-UHFFFAOYSA-N 467.775 7.550 50 10 JKGE COc1ccc(-c2nn(-c3ccccc3)cc2C=C(C#N)c2nc(-c3ccc(Cl)cc3)cs2)cc1 2314486916 FTALEGVZDXFGCA-UHFFFAOYSA-N 495.007 7.389 50 10 JKGE N#CC1=C(N)Oc2cc(OC(=O)C=Cc3ccc(Cl)cc3)ccc2[C@H]1c1ccc([N+](=O)[O-])cc1 2314634176 WSDBFBROCBDQFM-XMMPIXPASA-N 473.872 5.085 50 10 JKGE CCCOc1ccc(C=C(C#N)C(=O)Nc2scc(-c3ccc(F)cc3)c2C(=O)OCC)cc1 2314717382 KRGYKIRAAZITQQ-UHFFFAOYSA-N 478.545 6.065 50 10 JKGE Fc1c(Br)cc(Cl)c([C@H](Br)C2(C3CC3)CC2)c1Br 2315440307 RAFXLDQGDNMUOJ-LBPRGKRZSA-N 461.394 6.630 50 10 JKGE Brc1cc(CC[C@H](Br)c2ccccc2)ccc1I 2325205204 VIQRAHGCQIJJLV-ZDUSSCGKSA-N 479.981 6.123 50 10 JKGE CCCCc1ccc(N2C[C@H](C(O)=C(C#N)c3nc(-c4cc(C)ccc4OC)cs3)CC2=O)cc1 2331323632 MRHWDPMGTDMDRW-HXUWFJFHSA-N 487.625 6.316 50 10 JKGE N#CC(=C(O)c1ccccc1I)c1nc(-c2cccc3ccccc23)cs1 2331340299 YNWJJUFKNUBPFW-UHFFFAOYSA-N 480.330 6.518 50 10 JKGE COc1c(Cl)cc(Cl)cc1-c1csc(C(C#N)=C(O)c2c(F)cccc2Cl)n1 2331364714 QDYYDXAKVIENSP-UHFFFAOYSA-N 455.725 6.868 50 10 JKGE Cc1ccc(-c2csc(C(C#N)=C(O)[C@@H](C)Oc3ccc(Cl)cc3Br)n2)cc1C 2331382932 YTTPLYJKHCWXKL-CQSZACIVSA-N 489.822 7.103 50 10 JKGE CC1([C@@H](Br)c2ccc(OCc3ccccc3)cc2Br)CC(C(F)(F)F)C1 2336045509 WWESHYBRUPQJMN-WHDUELSGSA-N 492.173 7.443 50 10 JKGE Fc1cc(C[C@@H](Cl)c2ccc(OCc3ccccc3)cc2Br)ccc1Cl 2336084896 YBCAATQUYQUMPC-HXUWFJFHSA-N 454.166 7.343 50 10 JKGE Cc1cc(Br)c([C@@H](Br)[C@@H]2COCC2(C)C)c(C)c1Br 2336207428 UVASIHCQDOLFMZ-HZMBPMFUSA-N 455.028 5.937 50 10 JKGE CC(C)(C)[C@H]1C[C@@H](CBr)CN(Cc2sccc2I)C1 2338763972 WKWLPHUSQANOKT-RYUDHWBXSA-N 456.231 5.232 50 10 JKGE Cc1cc(Br)c(F)c(Br)c1[C@H](Br)[C@H]1C[C@H]1C(F)(F)F 2339653196 GZURHIPLJXQBSW-CCGCGBOQSA-N 468.908 6.294 50 10 JKGE COc1c(Br)cc(C)c([C@H](Br)C2(C)CC(C)C2)c1Br 2339655983 JKJCOSVGJJMIGZ-MLRNSFOPSA-N 455.028 6.401 50 10 JKGE Cc1cc(Br)c(F)c(Br)c1[C@H](Br)CCCC(C)(F)F 2339659518 SZDISHZJRCMURB-MRVPVSSYSA-N 466.961 6.921 50 10 JKGE Clc1ccc(CO[C@H]2CCCCCC[C@H]2Br)c(I)c1 2340109318 DHRRIQZZJQQRIM-HIFRSBDPSA-N 457.577 5.948 50 10 JKGE Fc1cc(Cl)ccc1[C@@H](Br)c1c(F)cc(Cl)c(Br)c1Cl 2360491979 IYESVLFYVQUNBP-LLVKDONJSA-N 465.346 7.172 50 10 JKGE COc1c(Br)cc(C)c([C@H](Cl)c2c(Br)cnn2C)c1Br 2365176532 QPAMZVXQTCALQT-NSHDSACASA-N 487.417 5.353 50 10 JKGE COc1c(Br)cc(C)c([C@@H](Br)C23CCC(CC2)O3)c1Br 2365219765 RYZOUNFZFHXOAG-JBLLZRQOSA-N 469.011 5.676 50 10 JKGE Fc1cc(F)c(F)c([C@@H](Br)c2ccc(Cl)cc2I)c1F 2365600177 ZDOJLAFGOUIWMR-NSHDSACASA-N 479.436 5.985 50 10 JKGE CCCCO[C@H]1[C@@H](OCc2c(Br)cccc2Br)C[C@H]1Br 2366144428 FJMAAOAQUIFJBP-QLFBSQMISA-N 471.027 5.449 50 10 JKGE CC(C)(C)[C@H]1CC[C@H]1COc1c(Br)cc(CBr)cc1Br 2369278195 LEZQZASPPWVBCF-RYUDHWBXSA-N 469.055 6.558 50 10 JKGE COc1ccc([C@H](Br)c2cc(F)c(Cl)cc2Cl)cc1I 2379736259 JFDMJVAVISKGRC-AWEZNQCLSA-N 489.937 6.230 50 10 JKGE CCSc1ccsc1[C@H]1C(C#N)=C(N)N(c2ccc(Cl)c(Cl)c2)C2=C1C(=O)CCC2 9981394 XQLPLFJIKWJROY-IBGZPJMESA-N 476.454 6.472 50 10 JKGE N#C/C(=C/c1cc2ccccc2nc1Cl)c1nc(-c2ccc(Br)cc2)cs1 33391241 WNHHHMLSEOTKCR-YBEGLDIGSA-N 452.764 6.838 50 10 JKGE CCCCOC(=O)c1c(NC(=O)/C(C#N)=C\c2ccc(-c3ccccc3)o2)sc2c1CCCC2 34378218 LODORADAYMJWTH-MNDPQUGUSA-N 474.582 6.389 50 10 JKGE CCOC(=O)c1c(-c2ccccc2)csc1NC(=O)/C(C#N)=C\c1c[nH]nc1-c1ccccc1 35485139 XVCINTJTXSHPIG-UYRXBGFRSA-N 468.538 5.528 50 10 JKGE N#CC1=C(N)Oc2cc(OC(=O)c3ccccc3)ccc2[C@H]1c1cccc(Oc2ccccc2)c1 38660736 VIVUUEBMJSRHCO-HHHXNRCGSA-N 460.489 5.916 50 10 JKGE COc1ccc(OC)c([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4oc5cc(C)ccc5c4C)ccc32)c1 38688742 ZHOGABHOBVNVCZ-AREMUKBSSA-N 496.519 5.504 50 10 JKGE Cc1ccc2c(C)c(C(=O)Oc3ccc4c(c3)OC(N)=C(C#N)[C@@H]4c3cccc(F)c3)oc2c1 38700486 GFECCQTVQVKRLA-XMMPIXPASA-N 454.457 5.626 50 10 JKGE Cc1c(C(=O)Nc2cccc(Cl)c2Cl)oc2c1/C(=N/NC(=O)c1ccc(O)cc1)CCC2 40812077 BZZLVBRLKBLRMZ-JVWAILMASA-N 472.328 5.323 50 10 JKGE Cc1cc(OC(=O)c2oc3c(c2C)/C(=N/NC(=O)c2ccccc2F)CCC3)ccc1Cl 40812523 DBICLNPXYODJNN-ZXVVBBHZSA-N 454.885 5.379 50 10 JKGE Cc1ccc(NC(=O)N/N=C/c2cc(Br)c(Sc3ccc(Cl)cc3)o2)cc1C 59248644 YGXKZOMUOAQREM-FOKLQQMPSA-N 478.799 6.619 50 10 JKGE Cc1cc(/C=N/NC(=O)CSc2nc3ccccc3s2)c(C)n1-c1ccc(C(=O)O)c(Cl)c1 59250109 KTKVVXWAOMMBKZ-OPEKNORGSA-N 499.017 5.298 50 10 JKGE Cc1cc([C@@H](Br)c2cc(Br)ccc2Cl)c(C)cc1Br 70472237 XGHFOMMBHMXUCV-OAHLLOKOSA-N 467.426 6.966 50 10 JKGE N#C/C(=C\c1ccc(OC(=O)/C=C\c2ccc([N+](=O)[O-])s2)cc1)c1nc2ccccc2s1 97542411 WVYMTRWHZYVWNY-CULHNLHRSA-N 459.508 5.949 50 10 JKGE COc1ccc(/C=C(/C#N)S(=O)(=O)c2ccc(Br)cc2)cc1OCc1ccccc1 97998107 GVAPXBGHDBVBEL-BKUYFWCQSA-N 484.371 5.375 50 10 JKGE N#C/C(=C(/O)c1ccc(-c2ccc([N+](=O)[O-])cc2Cl)o1)c1nc(-c2ccc(Cl)cc2)cs1 100989588 XDQFKEIAIQSCIU-PGMHBOJBSA-N 484.320 7.235 50 10 JKGE C=CCN1C(=O)/C(=N\NC(=O)c2ccc(OCCCCCCCCCC)cc2)c2ccccc21 104997883 WVSGGHNVVGECIO-WCTVFOPTSA-N 461.606 5.873 50 10 JKGE COc1c(C)cc(Br)c(C)c1[C@@H](Cl)c1csc(I)c1 125626999 YOGCZTNGBACSHW-ZDUSSCGKSA-N 471.585 6.069 50 10 JKGE Cc1cc(Br)c([C@@H](Br)c2ccc(F)cc2Cl)cc1Br 128811696 PQPADFRLPGYBQF-AWEZNQCLSA-N 471.389 6.797 50 10 JKGE CCCCCCOc1ccc(/C=C(/C#N)C(=O)NC2CCCCCCCCCCC2)cc1OC 206179382 SQBJJEIBNFEMBO-DAFNUICNSA-N 468.682 7.351 50 10 JKGE Cc1cc(I)ccc1N/C=C(/C#N)C(=O)Nc1ccc(Oc2ccccc2)cc1 217210506 VAQISSGEZXZKED-ICFOKQHNSA-N 495.320 5.850 50 10 JKGE BrCc1ccc(Oc2ccccc2I)c(Br)c1 232487144 JAACABIPQLXLKA-UHFFFAOYSA-N 467.926 5.741 50 10 JKGE COc1ccc([C@H](Br)c2cc(Br)cc(Br)c2)c(Cl)c1 234991533 DZIYTLXRLPUXKM-CQSZACIVSA-N 469.398 6.358 50 10 JKGE CCCCOc1ccc(Br)cc1C=NNC(=O)[C@@H](C)Sc1nc2ccccc2s1 254308896 MMRPNCPVIGKLIU-CQSZACIVSA-N 492.464 5.869 50 10 JKGE CC(=NNC(=O)c1ccc(NS(=O)(=O)c2cccs2)cc1)c1ccc(C2CCCCC2)cc1 254705700 NWCNXXBNAGCMEU-UHFFFAOYSA-N 481.643 5.751 50 10 JKGE O=C1OC(=O)[C@H]2[C@H]1[C@H]1C[C@H]2[C@H]2[C@@H](c3cccc(Cl)c3Cl)c3sc(=S)[nH]c3S[C@H]21 256026507 ORWDSNAGWAIDQX-RBRYYEQKSA-N 470.424 5.300 50 10 JKGE Cc1ccc(Br)cc1C[C@@H](CBr)Cc1ccc(Br)cc1 313716249 QOEMJFAIIUKKGY-AWEZNQCLSA-N 461.035 6.316 50 10 JKGE Cc1ccc([C@H]2CN(C(=O)OC(C)(C)C)C[C@H]2CI)c(Br)c1 382698890 ZVOLOYUCVMFDOT-OCCSQVGLSA-N 480.184 5.143 50 10 JKGE ClCc1nc2cc(Br)cnc2n1CCCN(Cc1ccccc1)Cc1ccccc1 390466241 FQYQQANOCBMGOO-UHFFFAOYSA-N 483.841 6.025 50 10 JKGE C[C@H](CBr)[C@H]1CCCCN1C(=O)c1cc(Br)sc1Br 696787053 JWJFFCCPXHFZOB-PSASIEDQSA-N 474.056 5.299 50 10 JKGE BrCC(CBr)(Cc1cncc(Br)c1)C1CCCCCC1 696867255 SPHXUSOOQNTQSH-UHFFFAOYSA-N 468.071 6.133 50 10 JKGE Cc1ccc([C@H](Br)c2cccc(Br)c2Cl)c(C)c1Br 719542223 ZTEMFQNJDGKQSG-AWEZNQCLSA-N 467.426 6.966 50 10 JKGE COc1c(Cl)cc(/C=C(\C#N)C(=O)Nc2cccc(Cl)c2Cl)cc1Br 1084161843 YWBXTLLVILOOSU-BJMVGYQFSA-N 460.542 5.964 50 10 JKGE CC(C)Cc1ccc([C@@H](C)C(=O)NN=Cc2ccc(Oc3ccc([N+](=O)[O-])cc3[N+](=O)[O-])cc2)cc1 1084241735 MXOQYNZVTMGBKR-GOSISDBHSA-N 490.516 5.748 50 10 JKGE C=CCOc1ccc(-n2c(C)cc(/C=C(\C#N)C(=O)Nc3cccc(Cl)c3Cl)c2C)cc1 1084356228 XBYLDXOWQFENLP-XMHGGMMESA-N 466.368 6.511 50 10 JKGE O=C(CSc1nc2ccccc2s1)NN=Cc1ccc(OCc2ccccc2F)cc1 1084500248 HASBNIHXRTYSSV-UHFFFAOYSA-N 451.548 5.257 50 10 JKGE Cc1cccc(COc2ccccc2C=NNC(=O)c2cc3cc(Br)ccc3o2)c1 1084506025 VKLYWDIQEXBOQZ-UHFFFAOYSA-N 463.331 5.847 50 10 JKGE O=C(COc1ccc(C=NNC(=O)C(c2ccccc2)c2ccccc2)cc1)Nc1cccc(Cl)c1 1084541830 LVHGKMZRYSLVCE-UHFFFAOYSA-N 497.982 5.640 50 10 JKGE Cc1cccc(NC(=O)c2oc3c(c2C)C(=NNC(=O)c2cccc4ccccc24)CCC3)c1 1772748385 PKKSMQCLKJGRDK-UHFFFAOYSA-N 451.526 5.772 50 10 JKGE Cc1cc(OCC(=O)NN=Cc2cccc(Br)c2)c(C(C)C)cc1Br 1772754032 IJMQSEUXVVYCLB-UHFFFAOYSA-N 468.189 5.173 50 10 JKGE CCCc1nn(Cc2ccc(Cl)c(Cl)c2)c2c1[C@H](c1c(F)cccc1Cl)C(C#N)=C(N)O2 1865681920 APKJVMCOWOMUBJ-IBGZPJMESA-N 491.781 6.201 50 10 JKGE CCCCOc1ccc([C@H]2C(C#N)=C(N)Oc3c2c(CC)nn3Cc2cccc(F)c2)cc1OCC 1865686939 FPTIJEMCPKLYJL-VWLOTQADSA-N 490.579 5.429 50 10 JKGE CCCCCOc1ccc([C@H]2C(C#N)=C(N)Oc3c2c(C)nn3Cc2ccc(F)cc2)cc1OCC 1865691087 IWKDZPFEYBFSDS-SANMLTNESA-N 490.579 5.565 50 10 JKGE CCOc1c(OC)cccc1[C@@H]1C(C#N)=C(N)Oc2c1c(C)nn2Cc1ccc(Cl)c(Cl)c1 1865693274 MQCLASUTBABCIL-OAQYLSRUSA-N 485.371 5.172 50 10 JKGE COc1ccc(-c2nn(-c3cccc(Cl)c3)c3c2[C@@H](c2c[nH]c4ccccc24)C(C#N)=C(N)O3)cc1 1865700349 QOMOSYCVXFKRGL-XMMPIXPASA-N 493.954 5.901 50 10 JKGE CCN(CC)c1ccc([C@H]2C(C#N)=C(N)Oc3c2c(C(F)(F)F)nn3-c2ccc(C)cc2)cc1 1865701722 CNUQOFMZYFPVBH-FQEVSTJZSA-N 467.495 5.264 50 10 JKGE CCCc1nn(Cc2ccc(Cl)c(Cl)c2)c2c1[C@H](c1ccc(F)cc1F)C(C#N)=C(N)O2 1865701953 JGIMZSXNIIBSFQ-HXUWFJFHSA-N 475.326 5.687 50 10 JKGE CCc1nn(-c2ccc(C)cc2)c2c1[C@@H](c1ccc(OCc3ccccc3Cl)cc1)C(C#N)=C(N)O2 1865704093 MWZASYXIUCDNQO-SANMLTNESA-N 496.998 6.194 50 10 JKGE CC(C)Oc1ccccc1[C@H]1C(C#N)=C(N)Oc2c1c(C(F)(F)F)nn2Cc1ccccc1Cl 1865705006 JZEXKZANTRABJB-IBGZPJMESA-N 488.897 5.609 50 10 JKGE Cc1ccccc1[C@@H]1C(C#N)=C(N)Oc2c1c(-c1ccccc1)nn2-c1ccc(Br)cc1 1865712788 HYKZXTGIRAINMJ-JOCHJYFZSA-N 483.369 5.828 50 10 JKGE Cc1nc(-c2ccc(Cl)cc2Cl)ccc1C(=O)NNC(=O)C12CC3CC(CC(C3)C1)C2 1865759477 CBMWZXKYNGOHKL-UHFFFAOYSA-N 458.389 5.341 50 10 JKGE C/C(=C\c1ccccc1Cl)C(=O)N[C@@H](Cc1ccccc1)C(=O)Nc1ccc(SC#N)cc1 1866817377 DNSHPZNBSBKVSL-UFIOJNINSA-N 476.001 5.683 50 10 JKGE COCCc1nc(Nc2ccc(SC#N)cc2)cc(N2CCc3ccccc3[C@H]2C(C)C)n1 1868253619 NOXKEDVLQJMZCZ-AREMUKBSSA-N 459.619 5.742 50 10 JKGE CCc1nc(Nc2ccc(SC#N)cc2)cc(N2CCN(CCCc3ccccc3OC)CC2)n1 1868278306 ZOUGWPAVGKDLAE-UHFFFAOYSA-N 488.661 5.119 50 10 JKGE CCCCc1ccc(N2C[C@@H](/C(O)=C(\C#N)c3nc(-c4ccc([N+](=O)[O-])cc4)cs3)CC2=O)cc1 1872747225 SWMGFEADOADADH-NWIBBQCFSA-N 488.569 5.907 50 10 JKGE N#C/C(=C(/O)c1ccc2c(c1)C(=O)N(Cc1ccccc1)C2=O)c1nc(-c2cccc(Cl)c2)cs1 1872748130 JUHUEHNEFFUWBR-GYHWCHFESA-N 497.963 6.210 50 10 JKGE Cc1ccc(-c2csc(/C(C#N)=C(\O)c3ccc4c(c3)C(=O)N(Cc3ccccn3)C4=O)n2)c(C)c1 1872748922 SREFXBBBHICRDJ-BZZOAKBMSA-N 492.560 5.568 50 10 JKGE COc1ccc(-c2csc(/C(C#N)=C(\O)[C@H](C)Oc3ccc(C(C)C)cc3)n2)c(OC)c1 1872755367 KCQJNUOLTFPDTP-QWVAQTLSSA-N 450.560 6.211 50 10 JKGE COc1cc(/C=C(\C#N)c2nc(-c3c[nH]c4ccccc34)cs2)ccc1OCc1ccc(C)cc1 1872791302 FVWJEYQBZRYOBA-LPYMAVHISA-N 477.589 7.252 50 10 JKGE COc1ccc(C)cc1-c1csc(/C(C#N)=C(\O)CNC(=O)c2ccc(C(C)(C)C)cc2)n1 1873921074 TURFRXTYUPDMBR-XDOYNYLZSA-N 461.587 5.647 50 10 JKGE CC(C)[C@H](CBr)N(Cc1ccccc1)Cc1c(F)ccc(Br)c1F 1915272788 YJGXRRLUJFLPSV-SFHVURJKSA-N 461.188 6.149 50 10 JKGE CC1(C)C[C@H](N(Cc2ccccc2)c2ccc(Br)cc2CBr)CO1 1915488916 YUSGWEFDKBZYDQ-SFHVURJKSA-N 453.218 5.918 50 10 JKGE O=C(c1ccc(F)cc1Br)N(Cc1ccccc1)C1(CBr)CCC1 1915756910 PUPUEBGBEQDFPA-UHFFFAOYSA-N 455.165 5.548 50 10 JKGE CC(C)(CBr)N(Cc1ccccc1)S(=O)(=O)c1c(Cl)cccc1Br 1915770802 GIJOZBHEFVKIAC-UHFFFAOYSA-N 495.664 5.467 50 10 JKGE COc1cc(C)c(Br)cc1[C@H](Br)c1cc(C)c(Br)o1 1917604783 BYIGSUZIFYHBPA-ZDUSSCGKSA-N 452.968 5.914 50 10 JKGE Cc1scc([C@H](Br)c2sc(Br)c(C)c2Br)c1C 1922892808 BPWAYFXCHIIMIS-JTQLQIEISA-N 459.066 6.744 50 10 JKGE Cc1cc(Br)c(F)c([C@@H](Cl)c2sc(Br)c(C)c2Br)c1 1922906040 FSQCEQWBFBXMFN-SNVBAGLBSA-N 491.445 7.120 50 10 JKGE Cc1c(Br)sc([C@H](Br)[C@]23CCC[C@H]2OCC3)c1Br 1922913097 UGSLXEJEKTXKBQ-WLTAIBSBSA-N 459.041 5.977 50 10 JKGE CCCc1ccccc1[C@@H](Br)c1sc(Br)c(C)c1Br 1922920027 BSOGXTLTBMYTMB-CYBMUJFWSA-N 467.064 7.018 50 10 JKGE Clc1c(Br)sc(Br)c1[C@H](Br)C[C@@H]1CCCO1 1923067730 HPDZNPPCRDIVMR-NTSWFWBYSA-N 453.421 5.932 50 10 JKGE C[C@@](CBr)(Cc1cc(Cl)ccc1I)C1CCCCC1 1923915314 IWNRDVCUMUFWBP-INIZCTEOSA-N 455.605 6.469 50 10 JKGE Brc1sc(Br)c([C@H](Br)[C@H]2C[C@@H]3C[C@@H]3C2)c1Br 1924576382 NLXGUWONWRMNAU-BYPJNBLXSA-N 493.884 6.518 50 10 JKGE Brc1sc(Br)c([C@@H](Br)C2CCCCC2)c1Br 1924580092 OJURUSNWFNOWQR-QMMMGPOBSA-N 495.900 7.052 50 10 JKGE Brc1ccc(Br)c([C@H](Br)c2csnc2Br)c1 1925233444 WUSXRDYVQVQBBE-VIFPVBQESA-N 490.840 5.915 50 10 JKGE CN(CCN(Cc1ccccc1)c1nc2sccn2c1CBr)Cc1ccccc1 1931965077 IJFGTXSCLDLKMV-UHFFFAOYSA-N 469.452 5.429 50 10 JKGE Cc1cc(Br)sc1[C@@H](Cl)c1csc(Br)c1Br 1939455387 DZHDZMURPHYPHH-QMMMGPOBSA-N 465.457 6.734 50 10 JKGE COc1sc([C@H](Br)c2cc(C)sc2Br)cc1Br 1951016962 WLHGGGXRYLBIQT-SECBINFHSA-N 461.038 6.136 50 10 JKGE CCc1nc(C(=O)N(Cc2ccccc2)[C@H](CBr)C2CC2)c(Br)s1 2003571154 WJWXLZQVXYTCDX-CQSZACIVSA-N 472.246 5.284 50 10 JKGE Fc1cc(Br)c(Cl)cc1[C@@H](Br)c1cc(Br)sn1 2007644981 SFVHNMBJHBVHPT-SNVBAGLBSA-N 464.379 5.945 50 10 JKGE Cc1nc([C@@H](Br)c2c(Br)sc(C)c2C)c(Br)s1 2024016761 BGZSPAPAOKKSSW-QMMMGPOBSA-N 460.054 6.139 50 10 JKGE Cc1cc(F)cc(C)c1[C@@H](Br)c1csc(Br)c1Br 2032958629 IEMLZAKRJOTXJI-NSHDSACASA-N 457.000 6.513 50 10 JKGE BrCc1cc(Br)ccc1N1CCN(Cc2ccccc2)C2(CCC2)C1 2035792769 JOUGRAFMWNHWEA-UHFFFAOYSA-N 464.245 5.589 50 10 JKGE FC1(F)C[C@]12CC[C@H]([C@H](Br)c1cc(Br)sc1Br)C2 2038547447 ACISVHZQQFIMTI-DQBIJJQNSA-N 464.995 6.535 50 10 JKGE Cc1ccc(-n2c(C)cc(C=C(C#N)c3nnc(N4CCOCC4)n3-c3ccccc3)c2C)c(C)c1 2042446328 DJHSFANRDNHHBM-UHFFFAOYSA-N 478.600 5.192 50 10 JKGE Clc1cccc(Cl)c1C[C@@H](Br)c1cccc(I)c1 2042853889 NYPRSRCXLFLTQF-GFCCVEGCSA-N 455.948 6.277 50 10 JKGE Cc1c(Br)sc([C@H](Cl)c2nn(C)c(Br)c2C)c1Br 2049256256 QNQFTUVPNCJSPT-SSDOTTSWSA-N 477.447 5.714 50 10 JKGE Cl[C@H](c1c(Br)sc(Br)c1Br)[C@H]1CCCC12CCC2 2053379335 YRJQTHKWLDFCPV-XCBNKYQSSA-N 477.487 7.286 50 10 JKGE C[C@]1([C@@H](Br)c2cc(Br)c(Br)s2)CCCC(F)(F)C1 2068383533 IOXXVYLRSVLEDC-ONGXEEELSA-N 467.011 6.925 50 10 JKGE COc1cc([C@@H](Cl)c2sc(Br)cc2Br)ccc1Br 2072063258 NXXUJHNMFFFKFQ-LLVKDONJSA-N 475.427 6.372 50 10 JKGE Cc1ccsc1[C@H](Br)c1c(C)c(Br)cc(C)c1Br 2081072044 QSVHXJQXFRPCCO-CYBMUJFWSA-N 453.037 6.683 50 10 JKGE COc1cc(F)c([C@@H](Br)c2cc(Br)sn2)cc1Br 2082783100 QGHKTWXACSPKPF-LLVKDONJSA-N 459.960 5.300 50 10 JKGE Brc1cccc(CN2CC[C@@H]3C[C@H](Br)CC[C@H]32)c1Br 2092330017 DGKMLJRTNYPOGU-MPKXVKKWSA-N 452.028 5.350 50 10 JKGE Cc1c(Br)sc([C@@H](Br)[C@@H]2CCn3nccc3C2)c1Br 2108965477 LHVLJAUXBVHACK-KCJUWKMLSA-N 469.040 5.477 50 10 JKGE CN(Cc1c(Br)cccc1Br)C1(CBr)CCSCC1 2114724873 MFISOLWFUAMAST-UHFFFAOYSA-N 472.084 5.304 50 10 JKGE CO[C@H]1C[C@H]([C@@H](Br)c2sc(Br)c(C)c2Br)C[C@H]1OC 2118266569 DUHHESGYYMESIN-SDNRWEOFSA-N 477.056 5.458 50 10 JKGE CO[C@]1(C(F)(F)F)C[C@H]([C@H](Br)c2cc(Br)sc2Br)C1 2125552183 UCTLXGCTCSYDIS-BUMCKTDNSA-N 486.973 6.067 50 10 JKGE Cc1ccc([C@@H](Br)c2ccc(Br)c(C)c2Br)cc1Cl 2138851259 JPLRSSUBBTYSSW-OAHLLOKOSA-N 467.426 6.966 50 10 JKGE Fc1ccc(COc2ccc(CBr)c(Br)c2)c(Br)c1 2141332899 LPJNABLPGGEBRN-UHFFFAOYSA-N 452.943 5.825 50 10 JKGE Clc1cc(CN2C[C@H](Br)C3(CCCC3)C2)ccc1I 2142949746 MDQFRJOHVUDLSN-AWEZNQCLSA-N 454.577 5.084 50 10 JKGE C[C@H](Cl)c1nc2cc(Cl)c(Br)cc2n1[C@]12C[C@H]1CN(Cc1ccccc1)C2 2169016534 BHGQGWZIKNWIJY-YHQOMNDMSA-N 465.222 5.983 50 10 JKGE Fc1cc(F)c(OCc2cc(Br)ccc2Br)c(CBr)c1 2175142527 QZTFTLSJIMNLKZ-UHFFFAOYSA-N 470.933 5.964 50 10 JKGE Brc1ccc(Br)c(CN2CCC[C@@H]3CC[C@@H](Br)C[C@H]32)c1 2175153975 DCNPCQLBURRBDJ-DJSGYFEHSA-N 466.055 5.740 50 10 JKGE Brc1c2c(c([C@H](Br)[C@H]3C[C@H](Br)C3)c3c1CCC3)CCC2 2196896821 RVJAIGPYXGSLGY-XIZWVBILSA-N 463.051 6.036 50 10 JKGE COc1cc(F)c([C@@H](Br)c2cc(Br)ccc2C)cc1Br 2202903507 FTKUBGLEJFSTCP-HNNXBMFYSA-N 466.970 6.152 50 10 JKGE Cc1c(Br)csc1[C@@H](Br)c1c(Cl)sc(Br)c1Cl 2213776208 YIWDMHIFCDIRAV-LURJTMIESA-N 499.902 7.434 50 10 JKGE ClCc1nc2cc(Br)c(Br)cc2n1C[C@H]1C[C@@H]1Br 2218665148 WWUAMYWJZKCCBJ-RQJHMYQMSA-N 457.391 5.084 50 10 JKGE Cc1cc(Br)c([C@@H](Br)c2cc(F)c(Br)cc2F)s1 2221833602 CJRSVVDQFLBXQC-NSHDSACASA-N 460.963 6.344 50 10 JKGE Clc1cc(Br)c([C@H](Cl)c2cccc(OCc3ccccc3)c2)c(Cl)c1Cl 2224306210 ALLVFHMQRNMDGE-GOSISDBHSA-N 491.039 8.317 50 10 JKGE Cc1cc(Br)c([C@H](Br)C2(C(C)C)CCC2)c(C)c1Br 2227352283 BWPJXSCXKDZOJY-HNNXBMFYSA-N 453.056 7.091 50 10 JKGE CC[C@@H](c1ccccc1)[C@@H](Br)c1cc(Br)c(Br)cc1F 2233976045 NGEHBDANPQUJGT-MEDUHNTESA-N 464.998 6.981 50 10 JKGE Cc1cc(Br)c([C@@H](Br)[C@H]2CC3CCC2CC3)c(C)c1Br 2235603858 KYANMZWKUHKSAB-MFGDRVGDSA-N 465.067 7.091 50 10 JKGE Cc1cc(Cl)c(Br)cc1[C@H](Br)c1cc(C)c(Br)c(C)c1 2235684411 ZMLJYTXYASANMJ-MRXNPFEDSA-N 481.453 7.275 50 10 JKGE Brc1cccc(CN2C[C@H](Br)CC23CCCCC3)c1Br 2241043730 FDNUWMYRRXXILS-CYBMUJFWSA-N 466.055 5.884 50 10 JKGE CC(C)CCCCCO[C@@]1(CI)CCCN(C(=O)OC(C)(C)C)C1 2248811945 NLHWWBIESQNDNC-LJQANCHMSA-N 453.405 5.424 50 10 JKGE COc1ccc([C@H](Cl)c2cccc(Br)c2F)cc1I 2269551720 KLBTYHGYRJYIHR-ZDUSSCGKSA-N 455.492 5.530 50 10 JKGE COc1c(Br)cc(Cl)cc1[C@@H](Br)c1cc(C)c(Br)o1 2277883237 BAVKJOIIURYRDI-LLVKDONJSA-N 473.386 6.259 50 10 JKGE COc1ccc([C@H](Br)c2c(C)nn(C)c2Br)c(Br)c1Cl 2283555404 WTPYDNLZWYDDRH-JTQLQIEISA-N 487.417 5.400 50 10 JKGE Cc1c(Br)cccc1CO[C@H](CBr)c1cccc(Br)c1 2283651569 JDJUOUIKXMCWBB-MRXNPFEDSA-N 463.007 6.173 50 10 JKGE Cc1cc(F)c(Br)cc1[C@@H](Br)[C@H](C)c1ccncc1Br 2285952664 MMEHKGLMIDAYSB-PSLIRLAXSA-N 465.986 6.294 50 10 JKGE C[C@@H](Br)CN(c1ncc(C(F)(F)F)cc1I)C(C)(C)C 2288107942 JHNTVWHRIBMWSR-MRVPVSSYSA-N 465.095 5.093 50 10 JKGE Fc1cc(Br)c(F)c(Br)c1[C@H](Br)C1(CC2CCC2)CC1 2288485663 YDRZEGLBNTUMGU-AWEZNQCLSA-N 472.993 6.896 50 10 JKGE Cc1ccccc1C[C@H]1SC(=C(C#N)C(=O)Nc2ccccc2)N(c2ccc(F)cc2)C1=O 2293038883 DQIJHBIGHDDAGB-HSZRJFAPSA-N 457.530 5.199 50 10 JKGE Cc1cc(C=C(C#N)C(=O)Nc2ccc(F)cc2)c(C)n1-c1ccc(I)cc1 2294168431 KKRVJIRIFIBRGD-UHFFFAOYSA-N 485.300 5.384 50 10 JKGE COCc1ccc([C@H](Br)Cc2cc(Br)cc(Br)c2)cc1 2295333017 DWBAILTVZGGXHU-MRXNPFEDSA-N 463.007 6.037 50 10 JKGE FC1(F)[C@H]2C[C@@H]([C@H](Br)Cc3cc(Br)cc(Br)c3)CC[C@H]21 2295343206 SPDALLVMNQZGQZ-GSVCSZOMSA-N 472.993 6.199 50 10 JKGE N#CC(=Cc1ccc(OCc2c(F)cccc2Cl)cc1)C(=O)NCc1ccc2c(c1)OCO2 2295672694 SNKPTXOFNKUBMN-UHFFFAOYSA-N 464.880 5.010 50 10 JKGE CCOc1ccccc1NC=C(C#N)c1nc(-c2cc3cc([N+](=O)[O-])ccc3oc2=O)cs1 2295894378 YTJWOFUUJXAWOF-UHFFFAOYSA-N 460.471 5.200 50 10 JKGE Cc1c(NC(=O)C(C#N)=Cc2ccc(-c3ccc(Cl)c(Cl)c3)o2)c(=O)n(-c2ccccc2)n1C 2296689785 PODHLHNYVYWZLT-UHFFFAOYSA-N 493.350 5.597 50 10 JKGE Cc1ccc(S(=O)(=O)C(C#N)=Cc2c(Oc3ccc(C)cc3C)nc3c(C)cccn3c2=O)cc1 2296723179 QSIXBVPDUHIXJV-UHFFFAOYSA-N 485.565 5.059 50 10 JKGE CC(C)c1ccc(C=C(C#N)c2nc(-c3cc4cc(Br)ccc4oc3=O)cs2)cc1 2297317141 NKYIKZDTWRNXLR-UHFFFAOYSA-N 477.383 6.867 50 10 JKGE Cc1cc([C@H](Br)c2cc(Br)ccc2OCc2ccccc2)sc1Cl 2299534747 HHKLBQQJUZBXLN-GOSISDBHSA-N 486.656 7.536 50 10 JKGE BrC[C@@H](CSc1cc(I)ccc1Br)C1CCC1 2300792941 QZTGAPIRNFIRHI-JTQLQIEISA-N 490.042 5.957 50 10 JKGE CCC(F)(F)C(C)(C)[C@H](Br)c1sc(Cl)cc1I 2300957877 UQHDRMCPMWFYDN-SECBINFHSA-N 457.549 6.514 50 10 JKGE Brc1cc([C@H](Br)[C@H]2OC[C@@H]3CCCC[C@H]23)sc1Br 2312259515 FHXHRQOKKAOMPT-OSTYVCCYSA-N 459.041 5.914 50 10 JKGE Fc1cc(Br)cc([C@H](Cl)c2ccc(OCc3ccccc3)cc2Br)c1 2314452607 OUCPLMLJQTYMRZ-FQEVSTJZSA-N 484.590 7.258 50 10 JKGE Brc1cc(OCc2ccccc2)ccc1[C@H](Br)C1C[C@H]2CC[C@H](C1)C2 2314503811 WFUKSIMBAMXALH-PNLZDCPESA-N 464.241 7.290 50 10 JKGE Cc1c(Cl)sc(Cl)c1[C@H](Br)c1ccc(F)cc1I 2314515727 SINYBWPUGYXQGF-SNVBAGLBSA-N 479.967 6.591 50 10 JKGE CCc1ccc(N2C(=O)[C@@H](Cc3ccc(C)c(C)c3)SC2=C(C#N)C(=O)Nc2ccccc2)cc1 2314592932 DSLNAOWECXNVDJ-AREMUKBSSA-N 481.621 5.931 50 10 JKGE CCOC(=O)C(C#N)=Cc1cccc(OC(=O)C=Cc2ccc(OCc3ccccc3)cc2)c1 2314753758 DRFWTVBYPUYCJR-UHFFFAOYSA-N 453.494 5.354 50 10 JKGE CCOC(=O)C(C#N)=Cc1cccc(OC(=O)C=Cc2ccc(OCc3ccccc3C)c(OC)c2)c1 2314754655 XVNXBMAFIPPIMW-UHFFFAOYSA-N 497.547 5.672 50 10 JKGE C[C@]12C[C@H](C1)[C@@H]([C@H](Br)c1ccc(OCc3ccccc3)cc1Br)CO2 2315933965 SJMDQUXIWXKVHJ-GDVKCFTOSA-N 466.213 6.279 50 10 JKGE C[C@@H](Oc1cc(Br)cc(I)c1)c1nc(CCl)cs1 2316688542 PHNATCUSTBCWGO-SSDOTTSWSA-N 458.546 5.389 50 10 JKGE Cc1cc(Br)c(F)c(Br)c1[C@@H](Br)[C@@]1(C)CC1(F)F 2317422046 GVXLKNCCYKWVAS-GHMZBOCLSA-N 450.918 6.140 50 10 JKGE COc1cc(C=C(C#N)c2ccccc2OC)ccc1OC(=O)C=Cc1ccc([N+](=O)[O-])cc1 2320506615 NGZODQSWCXHRSE-UHFFFAOYSA-N 456.454 5.295 50 10 JKGE CCn1cc(C=C2Oc3c(ccc(OC(=O)C(Cl)Cl)c3C)C2=O)c2cc(OC)ccc21 2323758431 JLABXHUHKSFSDF-UHFFFAOYSA-N 460.313 5.304 50 10 JKGE CCCCCCCCCOc1ccc(C=NNC(=O)Nc2cccc(Cl)c2)c(Cl)c1 2323839852 HVPHRVVRPYQXGO-UHFFFAOYSA-N 450.410 7.278 50 10 JKGE COc1cc(C=C(C#N)c2nc3cc(C)ccc3n2C)cc(Br)c1OCc1ccccc1 2331018582 QYOXDZKVCDUOCT-UHFFFAOYSA-N 488.385 6.296 50 10 JKGE CC(C)C[C@@H](C(O)=C(C#N)c1nc(-c2cccc([N+](=O)[O-])c2)cs1)N1C(=O)c2ccccc2C1=O 2331232471 BLBOPPVIHGVUPZ-NRFANRHFSA-N 488.525 5.222 50 10 JKGE CC(C)[C@@H](C(O)=C(C#N)c1nc(-c2ccc3c(c2)CCCC3)cs1)N1C(=O)c2ccccc2C1=O 2331240108 REEZGYSBOGTPCY-DEOSSOPVSA-N 483.593 5.802 50 10 JKGE Cc1ccc(N2C(=O)c3ccc(C(O)=C(C#N)c4nc(-c5ccc(F)cc5)cs4)cc3C2=O)c(C)c1 2331343710 MPGZIAGDJANOHD-UHFFFAOYSA-N 495.535 6.317 50 10 JKGE CCCCCCCOc1ccc(-c2csc(C(C#N)=C(O)COc3ccccc3CC)n2)cc1 2331345904 INMOGVMBEFVBQH-UHFFFAOYSA-N 476.642 7.593 50 10 JKGE CC(C)(C)N1C[C@@H](C(O)=C(C#N)c2nc(-c3ccc(Oc4ccccc4)cc3)cs2)CC1=O 2331358689 CPCIKGGSESBGNG-SFHVURJKSA-N 459.571 6.042 50 10 JKGE Cc1ccc(-c2csc(C(C#N)=C(O)c3ccc4c(c3)C(=O)N(CC(C)C)C4=O)n2)cc1C 2331382148 BQUNMZVHNFBPAH-UHFFFAOYSA-N 457.555 5.629 50 10 JKGE N#CC(=C(O)c1ccc(N2CCOCC2)c([N+](=O)[O-])c1)c1nc(-c2ccc(Cl)s2)cs1 2331402416 YTCAUEIVYJDRDY-UHFFFAOYSA-N 474.951 5.220 50 10 JKGE CC(C)(C)c1csc(C(C#N)=Cc2ccc(OCc3ccccc3)c(OCc3ccccc3)c2)n1 2331443578 UPVNAVJACPIOMU-UHFFFAOYSA-N 480.633 7.663 50 10 JKGE CC1(C)CC2(CC([C@H](Br)c3ccc(OCc4ccccc4)cc3Br)C2)C1 2336077045 DXTLPKOZRHNEMC-NRFANRHFSA-N 478.268 7.681 50 10 JKGE Clc1cccc([C@@H](Cl)CCc2ccc(I)c(Br)c2)c1 2349854396 PDDFUOKLLGVLKO-AWEZNQCLSA-N 469.975 6.620 50 10 JKGE CC1(C)CCC[C@](CBr)(Cc2cc(I)ccc2Cl)O1 2352346914 NKZKZQFZBOXUFA-OAHLLOKOSA-N 457.577 5.600 50 10 JKGE Clc1ccc(I)cc1CNC1(CCBr)CCCCC1 2352417276 GXMOADFKCKWEGE-UHFFFAOYSA-N 456.593 5.522 50 10 JKGE Fc1c(Br)cc(Cl)c([C@H](Cl)[C@H]2CCC[C@H]2C(F)F)c1Br 2362226750 ZCCJBOZRJWXFKI-WGDKSQQYSA-N 454.939 6.965 50 10 JKGE CC(C)[C@@H](Br)C(C)(C)CNC(=O)c1ccc(Cl)cc1I 2366001978 DGDZRTUQWZRHOH-CYBMUJFWSA-N 472.592 5.120 50 10 JKGE CC(C)[C@H](Cl)C(C)(C)CNC(=O)c1ccc(Br)cc1I 2366003389 SLDQUKIZHCMTRM-ZDUSSCGKSA-N 472.592 5.073 50 10 JKGE Clc1ccc(I)c(CN2C[C@@H]3C[C@H](CBr)C[C@@H](C3)C2)c1 2369248956 UWRWWQHZUXHFLT-CLLJXQQHSA-N 468.604 5.188 50 10 JKGE FC(F)(F)[C@@H]1[C@H](Br)CCCN1Cc1cc(Cl)ccc1I 2370283665 FDQJBEJAGUFSSA-PWSUYJOCSA-N 482.509 5.235 50 10 JKGE COc1c(F)cc([C@@H](Br)c2ccc(I)c(C)c2)cc1F 2370435846 ACNHWHDTLNHEDP-AWEZNQCLSA-N 453.064 5.371 50 10 JKGE COc1c(F)cc([C@@H](Br)Cc2ccccc2I)cc1F 2370459104 AWIYJMDZBHAXGN-NSHDSACASA-N 453.064 5.257 50 10 JKGE Cl[C@@H]1C[C@@H]2CCCC[C@@H]2N(Cc2ccc(I)c(Br)c2)C1 2377313438 CVTCIVWCQMWKGR-ZENOOKHLSA-N 468.604 5.426 50 10 JKGE C=CCc1cc(/C=C(\C#N)c2nc3cc(C)ccc3[nH]2)cc(OC)c1OCc1cccc([N+](=O)[O-])c1 9263711 KNEAROJCYDOXPF-LPYMAVHISA-N 480.524 6.160 50 10 JKGE CCc1ccc(OCC(=O)N/N=C/c2cccc(OCc3ccccc3)c2)c(Br)c1 13977528 SHZJUSBDIGUEGK-CVKSISIWSA-N 467.363 5.120 50 10 JKGE COc1ccc(/C=N/NC(=O)C=C(Sc2ccccc2)Sc2ccccc2)cc1OC 20292863 KOEDIPMNBOEJJX-KOEQRZSOSA-N 450.585 5.580 50 10 JKGE COc1ccc(/C(C)=N\NC(=O)c2ccc(NC(=O)c3ccc(C(C)(C)C)cc3)cc2)c(OC)c1 33489263 KGJJQSHBUCNCMM-YKQZZPSBSA-N 473.573 5.408 50 10 JKGE N#C/C(=C\c1ccc(-n2nc(-c3ccccc3)cc2-c2ccccc2)cc1)C(=O)NCCc1ccccc1 33568562 MXBVUEZFMIIOBL-QUPMIFSKSA-N 494.598 6.472 50 10 JKGE CCc1ccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)Cc4cccc5ccccc45)ccc32)cc1 38677317 XERGYGNUNPZYPT-GDLZYMKVSA-N 460.533 5.768 50 10 JKGE CCc1ccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4oc5cc(C)ccc5c4C)ccc32)cc1 38700442 QHXZGTNMXRKLQK-SANMLTNESA-N 464.521 6.049 50 10 JKGE O=C(C1CCCCC1)N(/N=C/c1ccc(F)cc1)c1nc2ccc(Br)cc2s1 39713803 ZPVKFNBIVYCLBA-ZMOGYAJESA-N 460.372 6.145 50 10 JKGE Cc1ccc(NC(=O)c2oc3c(c2C)/C(=N/NC(=O)c2ccccc2F)CCC3)cc1Cl 40812376 YHIKSOXPBSTUHO-TURZUDJPSA-N 453.901 5.412 50 10 JKGE COc1cc(/C=C(\C#N)c2ccc(Cl)cc2)ccc1OC(=O)[C@H](C)N1C(=O)c2ccccc2C1=O 40840721 YYONWZPXXAGEFN-HUCUOGIVSA-N 486.911 5.003 50 10 JKGE COc1cc(/C=C(\C#N)c2ccc(Cl)cc2)ccc1OC(=O)c1ccc(Cl)c(Cl)c1 40851343 WRCCFPKVOABKMT-LICLKQGHSA-N 458.728 6.939 50 10 JKGE Cc1cc(/C=N/NC(=O)c2cc3cc(Br)ccc3o2)c(C)n1-c1ccc(F)cc1 59303620 UISZNLRGQJTEFF-BRJLIKDPSA-N 454.299 5.506 50 10 JKGE C#CCOc1ccc(/C=N/NC(=O)c2ccc(-n3c(C)ccc3-c3ccccc3)cc2)cc1OCC 59304107 JDCNNRYHFBUYPE-NJZRLIGZSA-N 477.564 5.627 50 10 JKGE CCOc1ccc(Br)cc1/C=N/NC(=O)c1cc2cc(Br)ccc2o1 59417780 ODUGURBLVVRYNK-UFFVCSGVSA-N 466.129 5.120 50 10 JKGE CSc1cccc(N/C(SCc2ccc(F)cc2)=C(\C#N)S(=O)(=O)c2ccccc2)c1 96482163 LPALNBLNTOOHOI-FCQUAONHSA-N 470.616 6.059 50 10 JKGE N#C/C(=C/c1ccccc1OC(=O)c1ccc(Cl)cc1Cl)C(=O)Nc1ccccc1C(=O)O 96624571 NQUSJTFQWZMBLO-PTNGSMBKSA-N 481.291 5.456 50 10 JKGE CCCOc1ccc([C@H](C(=O)NC2CCCCC2)N(Cc2cccs2)C(=O)CCl)cc1OC 97914599 YHZFUGKALFXAQR-XMMPIXPASA-N 493.069 5.303 50 10 JKGE CC[C@@H](C)N1C(=O)C(C#N)=C(C)/C(=C\c2cn(-c3ccccc3)nc2-c2ccc(F)cc2)C1=O 101334135 ZMLTUQNGJYUOGD-DMGPTTAYSA-N 454.505 5.069 50 10 JKGE CC(C)Oc1cccc([C@@H](Br)c2cc(Br)ccc2Br)c1 109844872 ORHXHDWVGKNJRT-MRXNPFEDSA-N 463.007 6.483 50 10 JKGE Fc1cc(Br)ccc1C[C@H](CBr)c1ccc(Br)cc1 118657931 PRTLCRVWDOXDND-GFCCVEGCSA-N 450.971 6.072 50 10 JKGE Fc1ccc(Br)cc1C[C@@H](CBr)c1ccc(Br)cc1 118657964 OXFUBEJOMAVCIW-LBPRGKRZSA-N 450.971 6.072 50 10 JKGE COc1c(C)cc(Br)c(C)c1[C@H](Cl)c1cc(Br)ccc1Cl 125636885 IJTWYYFSSGDJMT-OAHLLOKOSA-N 453.001 6.819 50 10 JKGE O=C1Cc2cc([C@@H](Cl)c3cc(Br)c(Br)s3)c(Cl)cc2N1 128546258 MWMGBVPWTXBMOI-GFCCVEGCSA-N 455.986 5.749 50 10 JKGE Clc1ccc([C@H](Br)c2cc(Br)c(Br)s2)c2ccccc12 128570233 NRUZILMYGQBAHB-AWEZNQCLSA-N 495.461 7.564 50 10 JKGE C[C@@H]1Cc2cc([C@H](Br)c3cc(Br)c(Br)s3)ccc2O1 128867374 UZEWQRSHEXLNOO-UHLUBPPHSA-N 467.020 6.081 50 10 JKGE Cc1cc([C@H](Br)c2cc(Br)sc2Br)c(F)cc1F 137359463 PZXRZZXFOQDMDP-NSHDSACASA-N 460.963 6.344 50 10 JKGE Cc1ccc2nc(-c3ccc(N/C=C(/C#N)C(=O)Nc4cc([N+](=O)[O-])ccc4Cl)cc3)sc2c1 217234645 IMEOEMGTICGSEQ-SSZFMOIBSA-N 489.944 6.291 50 10 JKGE C[C@@H]1CCCC[C@@H]1NC(=O)[C@H](c1ccc(Cl)cc1)N(CCC1=CCCCC1)C(=O)CCl 230274813 DIHSBQUXXFRPNO-OUOWLKGYSA-N 465.465 6.034 50 10 JKGE CC(C)c1ccc([C@@H](Br)c2cc(I)ccc2Br)cc1 232762098 AKXJKTFYXYLLIC-MRXNPFEDSA-N 494.008 6.661 50 10 JKGE Cc1cc([C@@H](Br)c2cc(Br)cc(Br)c2)sc1Cl 235862116 FWKALIFMVMHMHZ-NSHDSACASA-N 459.428 6.719 50 10 JKGE Clc1ccc(I)c([C@H](Cl)c2csc3c(Br)cccc23)c1 236032013 YVLCCGSATYEXTF-AWEZNQCLSA-N 498.010 7.250 50 10 JKGE Fc1cc([C@H](Br)c2cc(Cl)ccc2Br)c(F)cc1Br 236235236 CPRCRETVFMNGLF-CYBMUJFWSA-N 475.352 6.628 50 10 JKGE CC(=NNC(=O)CSc1nnc(SCc2cccc3ccccc23)s1)c1cccc(O)c1 254386909 YSRDHRIMDADZKW-UHFFFAOYSA-N 480.640 5.322 50 10 JKGE Cc1cc([C@@H](Cl)c2cc(I)ccc2Br)cc(C)c1F 300462909 CVTDPKZSZZZMLQ-CQSZACIVSA-N 453.520 6.138 50 10 JKGE Cc1cc([C@@H](Br)c2sccc2I)c(C)cc1Br 310096539 LSMRBEWTPOQPMW-GFCCVEGCSA-N 486.010 6.216 50 10 JKGE 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 503938983 XJMCXAZKIBJUJN-LLFYHLHPSA-N 473.806 6.462 50 10 JKGE Fc1ccc([C@@H](Br)c2c(F)cc(Br)cc2F)c(F)c1Br 691513035 OTIJKIZCFNEYMX-LLVKDONJSA-N 476.887 6.252 50 10 JKGE Fc1ccc([C@@H](Cl)c2ccc(F)c(Br)c2F)c(I)c1 691539171 IMDNGDDXLQFKNW-GFCCVEGCSA-N 461.446 5.799 50 10 JKGE Fc1c(Br)ccc(COc2cc(Br)ccc2CBr)c1F 700987125 MGYYGYHROJLJKR-UHFFFAOYSA-N 470.933 5.964 50 10 JKGE CCOc1ccc([C@H](Br)c2scc(Br)c2Br)cc1 707817957 HWADAEJLIKIWNI-NSHDSACASA-N 455.009 6.156 50 10 JKGE CCCCCOc1ccc([C@H]2CN(C(=O)OCc3ccccc3)C[C@H]2CBr)cc1 725425927 OJPIOASASPHKPR-FYYLOGMGSA-N 460.412 6.003 50 10 JKGE N#C/C(=C/c1ccc(OC(=O)c2cccc3ccccc23)cc1)C(=O)Nc1ccc(Cl)cc1 1084018899 DLCALLQGEORLCE-SILNSSARSA-N 452.897 6.258 50 10 JKGE Cc1cc(/C=C(\C#N)C(=O)Nc2cccc(Cl)c2Cl)c(C)n1-c1ccc(C(C)C)cc1 1084023764 KTHJNGYJQSJNKI-DEDYPNTBSA-N 452.385 7.070 50 10 JKGE Cc1cc(C=NNC(=O)C(=O)Nc2cccc(C(F)(F)F)c2)c(C)n1-c1ccc(Cl)c(Cl)c1 1084097707 RUVQDYQQZISXON-UHFFFAOYSA-N 497.304 5.509 50 10 JKGE O=C(CSc1nc2ccc([N+](=O)[O-])cc2s1)NN=Cc1ccc(-c2ccc(Cl)cc2)o1 1084220344 NPHMPVXGJLFBGB-UHFFFAOYSA-N 472.935 5.360 50 10 JKGE CCc1ccccc1NC(=O)/C(C#N)=C\c1cc(Br)ccc1OCc1ccccc1Cl 1084443808 JLZCQFXHNIQLKO-MOSHPQCFSA-N 495.804 6.790 50 10 JKGE CCOc1ccc([C@H](O)CCC(=O)NN=Cc2ccc(-c3ccc(Br)cc3)o2)cc1 1084473720 ITBPYPFGMLZWPS-OAQYLSRUSA-N 471.351 5.072 50 10 JKGE O=C(NN=Cc1ccc(-c2ccc(Br)cc2)o1)c1ccccc1I 1084638491 GCCKGGGZMAVQBG-UHFFFAOYSA-N 495.114 5.078 50 10 JKGE Cc1c(Cl)cccc1NC(=O)CCCCCCCC[C@H](Br)CC(F)(F)Cl 1614015192 PCNNHJPYBAEKOM-HNNXBMFYSA-N 473.229 7.693 50 10 JKGE COc1cc(/C=C(\C#N)c2ccccc2OC)ccc1OC(=O)/C=C/c1ccc(Cl)cc1Cl 1615065954 AHBDKWDGGBCMOW-CBLICJDJSA-N 480.347 6.694 50 10 JKGE CCCCOc1ccc(NC(=O)c2oc3c(c2C)C(=NNC(=O)c2ccccc2Cl)CCC3)cc1 1772744131 QPJWIJXUSNGMKU-UHFFFAOYSA-N 493.991 6.143 50 10 JKGE CCCCc1ccc(NC(=O)c2oc3c(c2C)C(=NNC(=O)c2cccc(OC)c2)CCC3)cc1 1772750300 ZDTXJLSZPQRMAE-UHFFFAOYSA-N 473.573 5.662 50 10 JKGE CCCc1nn(C)c2c1[C@H](c1ccc(OCc3c(Cl)cccc3Cl)c(OC)c1)C(C#N)=C(N)O2 1865689324 PPFLHLCZNOLGEC-JOCHJYFZSA-N 499.398 5.485 50 10 JKGE C=CCOc1ccccc1[C@H]1C(C#N)=C(N)Oc2c1c(CCC)nn2Cc1ccc(Cl)cc1 1865691665 YBCJCQYJVYXYLI-QHCPKHFHSA-N 460.965 5.320 50 10 JKGE CCCOc1c(OC)cccc1[C@@H]1C(C#N)=C(N)Oc2c1c(CC)nn2Cc1ccccc1Cl 1865693738 QTANCFLDXLFZJM-JOCHJYFZSA-N 478.980 5.163 50 10 JKGE N#CC1=C(N)Oc2c(c(-c3ccccc3)nn2Cc2ccc(Cl)cc2)[C@H]1c1ccc2c(c1)OCCO2 1865698162 LYUPLDPTTIMNSG-DEOSSOPVSA-N 496.954 5.241 50 10 JKGE CCCc1nn(Cc2ccccc2)c2c1[C@@H](c1ccc(OCc3ccccc3C)cc1)C(C#N)=C(N)O2 1865703061 LYTJEIKEPNCNNP-NDEPHWFRSA-N 490.607 5.990 50 10 JKGE CCc1ccc([C@@H]2C(C#N)=C(N)Oc3c2c(C(F)(F)F)nn3Cc2ccc(Cl)cc2)cc1 1865708524 AOUNLBYRKKNJQA-GOSISDBHSA-N 458.871 5.384 50 10 JKGE Cc1ccccc1[C@H]1C(C#N)=C(N)Oc2c1c(C(F)(F)F)nn2Cc1ccc(Cl)c(Cl)c1 1865712784 HVBYQXFCLNIEMJ-KRWDZBQOSA-N 479.289 5.784 50 10 JKGE CCc1sc(NC(=O)C(Cl)Cl)c(C(=O)OC)c1-c1ccc(Br)cc1 1865989410 FNYVIBUXTJQVGV-UHFFFAOYSA-N 451.169 5.269 50 10 JKGE CCc1nc(Nc2ccc(SC#N)cc2)cc(N2CCc3cc(OC)c(OC)cc3[C@@H]2C(C)C)n1 1868278301 ZOCZBXMJROIIFO-MHZLTWQESA-N 489.645 6.133 50 10 JKGE CCn1cc(/C=C2\Oc3cc(OCc4ccc(CCl)cc4)cc(C)c3C2=O)c2cc(OC)ccc21 1871436494 AVIYSKGUZXCPSG-PPDIBHTLSA-N 487.983 6.912 50 10 JKGE Cc1cc(-c2csc(/C(C#N)=C(\O)CCCOc3cc(C)c(Cl)c(C)c3)n2)ccc1F 1872750151 ZCPBFZQTRJASOC-QOCHGBHMSA-N 456.970 7.180 50 10 JKGE COc1cc(C)c(-c2csc(/C(C#N)=C(\O)Cc3ccc(OC(C)C)cc3)n2)cc1C(C)C 1872751317 BMDZUBMRQFXXRI-BZZOAKBMSA-N 462.615 7.073 50 10 JKGE CC(C)[C@H](NC(=O)OC(C)(C)C)C(=O)N/N=C/c1cccc(OCc2ccc(Cl)cc2Cl)c1 1873793086 VVJQQEYJIWDERP-HFLRGAGPSA-N 494.419 5.572 50 10 JKGE O=C(c1ccc(Cl)cc1C(F)(F)F)N(Cc1ccccc1)[C@H](CBr)C1CC1 1915274293 YTWGUXZORDIEMM-GOSISDBHSA-N 460.721 6.175 50 10 JKGE Cc1c(Br)sc([C@@H](Br)[C@@H]2[C@H]3CC[C@@H](C3)C2(C)C)c1Br 1922930538 SXWQGCZYGJHDNR-GMOBBJLQSA-N 471.096 7.090 50 10 JKGE Brc1sc(Br)c([C@H](Br)[C@]23CCC[C@H]2C3)c1Br 1924609060 RMBZITUYGDOMQY-UPIMIWRCSA-N 493.884 6.662 50 10 JKGE CC1CC(C)([C@@H](Br)c2c(Br)sc(Br)c2Br)C1 1924615427 ASYZTERTZRHSRO-QHCBANEHSA-N 495.900 6.908 50 10 JKGE Cc1c(Br)sc([C@H](Cl)c2cscc2OCc2ccccc2)c1Br 1939528954 QVBQRKZDVLCJJA-OAHLLOKOSA-N 492.685 7.550 50 10 JKGE Clc1sc([C@H](Cl)c2cccc(Br)c2Br)cc1Br 1943903780 RPIXSQIDSWOASF-SNVBAGLBSA-N 479.846 7.017 50 10 JKGE Cc1nc([C@@H](Br)c2cc(Br)c(Cl)s2)c(Br)s1 1980605961 RVQYKSTXUOJKKE-LURJTMIESA-N 466.445 6.176 50 10 JKGE COCc1cc(Br)c([C@@H](Br)c2cc(Br)sn2)s1 2007643594 KGGLZUFOKSQPRG-VIFPVBQESA-N 462.026 5.360 50 10 JKGE Clc1c(Br)sc(Br)c1[C@H](Br)[C@@H]1[C@H]2C[C@@H]3[C@H]1[C@@H]3C2 2016566506 RCRKZVNJFWGRKM-RQXIQXTJSA-N 461.444 6.265 50 10 JKGE CCOc1ccc([C@H](Br)c2csc(Br)c2Br)s1 2026386627 WITIPGYPKCCJSA-SECBINFHSA-N 461.038 6.218 50 10 JKGE CCc1cc(Br)c([C@H](Br)c2cc(Br)ccc2C)s1 2029232892 MUKYWXIFTOSNQD-CYBMUJFWSA-N 453.037 6.628 50 10 JKGE CCc1sc(Br)cc1[C@H](Br)c1cccc(F)c1Br 2030216980 CGYLLWHCGBOTBX-GFCCVEGCSA-N 457.000 6.459 50 10 JKGE CCN(Cc1ccccc1)c1ccc(C=C(C#N)c2nc(O)c3c4c(sc3n2)CCCC4)cc1 2040447903 ZASJPBWRMLFEHW-UHFFFAOYSA-N 466.610 6.366 50 10 JKGE Cl[C@H](c1c(Br)sc(Br)c1Br)[C@H]1C[C@]12CCCOC2 2077422116 FOSZDAGWZSFKOE-ZIGWGHGNSA-N 479.459 6.132 50 10 JKGE Cc1cc(Br)c(C)c([C@@H](Br)c2ccc(Cl)o2)c1Br 2081069547 BCYDZTLFNDZFBR-ZDUSSCGKSA-N 457.387 6.559 50 10 JKGE Fc1cc(Br)c([C@@H](Br)c2csnc2Br)c(F)c1Cl 2081843772 GBXRANXRBUQBEQ-ZETCQYMHSA-N 482.369 6.084 50 10 JKGE Brc1cc([C@@H](Br)[C@@H]2C[C@H]3COC[C@H](C3)C2)c(Br)s1 2085748613 QCICODVLIJUDEI-HAYRHPOISA-N 459.041 5.772 50 10 JKGE Clc1ccc(I)c(C[C@@H]2C[C@@H]3CCCC[C@@H]3[C@@H]2Br)c1 2095361133 ZOEFHBWTYASDPH-YLUJIRGKSA-N 453.589 6.077 50 10 JKGE Clc1csc([C@@H](Br)c2cc(Cl)c(Cl)c(Cl)c2Cl)c1Cl 2096223291 AEKFLPRUFGUOCP-LURJTMIESA-N 459.834 8.153 50 10 JKGE Fc1cc(Cl)c(Br)cc1[C@@H](Br)c1cccc(Br)c1Cl 2097836023 WPDCEEIJMUYUSC-LBPRGKRZSA-N 491.807 7.142 50 10 JKGE ClCc1ccc(Br)c(Cl)c1N1CC[C@]2(CCN(Cc3ccccc3)C2)C1 2107029539 IKHMUURKGIVZHQ-NRFANRHFSA-N 454.239 5.944 50 10 JKGE CCCCCCCCCC[C@H](Br)c1sc(Br)cc1Br 2108229800 GVDNXYCKDCOXHM-LBPRGKRZSA-N 475.128 8.240 50 10 JKGE Cl[C@@H](c1c(Br)sc(Br)c1Br)[C@H]1CC2(CCCC2)CO1 2109977107 ADZYRXHSOZDNTG-GMSGAONNSA-N 493.486 6.665 50 10 JKGE Clc1ccc(Br)cc1CC(CBr)(CBr)C1CCCC1 2110528002 GMLNSFRVDVPYQX-UHFFFAOYSA-N 473.474 6.611 50 10 JKGE CCCc1nc(C[C@@H](Br)c2cccc(Br)c2)c(Br)[nH]1 2113488481 DOQIVJVNSVDWEM-LLVKDONJSA-N 451.000 5.566 50 10 JKGE CCCOc1ccc([C@H](Br)c2cc(Br)cs2)cc1Br 2115922320 BYFZAPQXMGPMIA-AWEZNQCLSA-N 469.036 6.546 50 10 JKGE CO[C@@H]1C[C@]2([C@@H](Br)c3c(C)c(Br)cc(C)c3Br)C[C@@H]12 2136371725 PXZYFMWLZZQVEQ-OCVOHJKQSA-N 453.012 5.689 50 10 JKGE Cc1cc(Br)c(C)c([C@H](Br)[C@@H]2C[C@H]3CC[C@H]2O3)c1Br 2136384704 SPFBUWXGXWFFGJ-NDLNZWKESA-N 453.012 5.832 50 10 JKGE COc1c(Br)cc(C)cc1[C@H](Cl)c1ccccc1I 2139017348 SGAQKHFXXKSMBP-CQSZACIVSA-N 451.529 5.699 50 10 JKGE CCCC[C@H](C)CC[C@H](Br)c1ccc(Br)c(C)c1Br 2142172134 TUNPGHQMGVCPGX-NHYWBVRUSA-N 455.072 7.563 50 10 JKGE COc1ccc(C[C@@H](Br)c2ccc(Br)cc2I)cc1 2142278884 JDJBBKUFLJVURP-CQSZACIVSA-N 495.980 5.741 50 10 JKGE CCCc1ccc([C@H](Br)c2ccc(Br)cc2I)cc1 2142286564 FDYLYSBQBXIMFC-INIZCTEOSA-N 494.008 6.491 50 10 JKGE CC(C)(C)[C@]1(CBr)CCN(Cc2cccc(Br)c2Br)C1 2160932522 ZJCORXCKOOBWCN-INIZCTEOSA-N 468.071 5.845 50 10 JKGE Cc1nn(C)c(Br)c1[C@H](Cl)c1scc(C(F)(F)F)c1Br 2185747662 ATDIFBOSIIMNKZ-QMMMGPOBSA-N 452.521 5.662 50 10 JKGE CN(c1cc(Br)cc(F)c1CCl)[C@@H]1C[C@@H]2C[C@H](OCc3ccccc3)C[C@H]21 2190537639 QHSZQUWMFPKAIL-DZKDUJFISA-N 452.795 6.147 50 10 JKGE COc1c(Cl)cc(Br)cc1[C@H](Br)c1cccc(Br)c1F 2202998665 FDYUZVMGJGYNRR-GFCCVEGCSA-N 487.388 6.497 50 10 JKGE COc1c(Cl)cc(Br)cc1[C@H](Br)c1cccc(F)c1Br 2203004170 QGNZHSJXTPGRBV-GFCCVEGCSA-N 487.388 6.497 50 10 JKGE C[C@@H](Cl)c1nc2cc(Br)c(Br)cc2n1CCOCc1ccccc1 2213519709 PGERTUHYELQJEN-GFCCVEGCSA-N 472.608 6.078 50 10 JKGE BrCC(CBr)(Cc1nscc1Br)c1ccccc1 2219914045 YMPSWRCWIHZZOG-UHFFFAOYSA-N 454.025 5.176 50 10 JKGE Cc1nn(C)c([C@@H](Br)c2sc(Br)c(C)c2Br)c1Cl 2224020458 YIPGRWKMVPURGO-SSDOTTSWSA-N 477.447 5.761 50 10 JKGE Cc1cc(Br)c([C@@H](Br)C[C@@H]2C[C@H]3C[C@H]3C2)c(C)c1Br 2227350662 XXJBLUYVVACLGI-OPDFLTKYSA-N 451.040 6.701 50 10 JKGE Cc1ccc(I)c([C@@H](Br)c2cc(Cl)c(C)cc2F)c1 2232220922 YGHJRUCTRBSJCJ-HNNXBMFYSA-N 453.520 6.185 50 10 JKGE Fc1ccc(C[C@H](Br)c2c(Br)cc(Cl)c(Cl)c2Cl)cc1 2232512581 OENLJMWHOYXJKE-VIFPVBQESA-N 461.383 7.227 50 10 JKGE FC1(F)[C@H]2CCC[C@@H]1C[C@@H]([C@@H](Br)c1cc(Br)sc1Br)C2 2233638490 KSVQYWJUJYWMDM-KZFFXBSXSA-N 493.049 7.171 50 10 JKGE Clc1c(Br)sc(Br)c1[C@H](Br)C[C@H]1CCCC12CC2 2255252480 AMOJRSVBYGDVQA-HTQZYQBOSA-N 477.487 7.333 50 10 JKGE Fc1cc(Br)c([C@@H](Br)c2cc(Br)co2)c(F)c1Cl 2258118050 ORPKWOSYTRUHPT-VIFPVBQESA-N 465.313 6.221 50 10 JKGE CCCCc1ccc([C@@H](Cl)c2cc(Br)ccc2I)s1 2264366368 HPVFCTUEIFESDX-HNNXBMFYSA-N 469.613 6.786 50 10 JKGE Cc1cc(Br)c([C@@H](Br)c2scc(Br)c2C)c(C)c1F 2264473671 MBKYJDUMTLUOPX-GFCCVEGCSA-N 471.027 6.822 50 10 JKGE CC(C)(C)[C@@H]1C[C@H]1[C@H](Br)c1c(F)cc(Br)c(F)c1Br 2272740469 RAGIUYOQXTVEOU-AMXGMDGSSA-N 460.982 6.608 50 10 JKGE C[C@@H]1CCC[C@](CI)(OCc2cc(Br)ccc2Cl)C1 2277806765 MMZXKEMQFBERLM-ABAIWWIYSA-N 457.577 6.003 50 10 JKGE COc1cc(C)c(Cl)cc1[C@@H](Br)c1csc(Br)c1Br 2277913498 DSJUDHDSAZVYCS-LLVKDONJSA-N 489.454 6.728 50 10 JKGE FC1(F)C[C@@](CBr)(Cc2ccc(Br)cc2Br)C12CCC2 2280848450 IJKYNWBOQCAIMG-CYBMUJFWSA-N 472.993 6.345 50 10 JKGE COc1c(Br)cc(C)cc1[C@@H](Br)c1cccc(Cl)c1Br 2283190730 CKQAHUJCZRQUBC-ZDUSSCGKSA-N 483.425 6.666 50 10 JKGE Fc1cc(Br)cc(F)c1COC1(CI)CCCCCC1 2287169068 VXTIPVDXXKWGAQ-UHFFFAOYSA-N 459.112 5.772 50 10 JKGE N#CC(=Cc1cccc(OCc2cccc3ccccc23)c1)C(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1 2293430084 MPAGCHUGBHRZGC-UHFFFAOYSA-N 483.911 6.526 50 10 JKGE COc1cc(C=C(C#N)C(=O)Nc2cc(C)cc(C)c2)ccc1OCc1ccc(C(=O)O)cc1 2294147031 ZMLYQUFSBYFPQY-UHFFFAOYSA-N 456.498 5.135 50 10 JKGE COc1cc(C=C(C#N)c2cccc(F)c2)cc(I)c1OCc1ccccc1 2294284774 UENFWRDSJFVIML-UHFFFAOYSA-N 485.296 6.082 50 10 JKGE C=CCOc1ccc(-c2nn(-c3ccccc3)cc2C=C2C(=O)N(CCC)C(=O)C(C#N)=C2C)c(C)c1 2296724089 JMNAVPHIHROVEQ-UHFFFAOYSA-N 492.579 5.415 50 10 JKGE O=C(NN=Cc1ccc(-c2ccc(Cl)cc2)o1)C(=Cc1ccccc1)NC(=O)c1ccccc1 2297321956 VCCDOYDZELFHLS-UHFFFAOYSA-N 469.928 5.521 50 10 JKGE Fc1c(Br)cc(Cl)c([C@H](Br)[C@@H]2CC2(F)F)c1Br 2300165194 ILMWHLKHTBMCQB-CLTAVNFZSA-N 457.309 6.095 50 10 JKGE Fc1c(Br)cc(Cl)c([C@H](Br)c2cnsc2)c1Br 2300179005 OESAKLKDNCQJFP-MRVPVSSYSA-N 464.379 5.945 50 10 JKGE FC1(F)CCC[C@H]1C[C@@H](Br)c1sc(Cl)cc1I 2300957063 JKDUTUCBYBGYRX-NKWVEPMBSA-N 455.533 6.268 50 10 JKGE Cc1cccc(NC(=O)C(C#N)=Cc2cc(Cl)ccc2OCc2ccc(Cl)cc2Cl)c1 2313541179 ZLZQHURIJHDKCU-UHFFFAOYSA-N 471.771 7.080 50 10 JKGE COc1cc(OC)c(C=C(C#N)C(=O)Nc2cccc(Cl)c2Cl)cc1Br 2313571560 ZBYDANTUMVPJEC-UHFFFAOYSA-N 456.123 5.319 50 10 JKGE Cc1ccc(S(=O)(=O)C(C#N)=Cc2cn(-c3ccccc3)nc2C23CC4CC(CC(C4)C2)C3)cc1 2314476318 MRQCYUVWNFDABV-UHFFFAOYSA-N 483.637 5.987 50 10 JKGE CCCOc1ccccc1C=C(C#N)C(=O)Nc1sc2c(c1C(=O)OCC)CC[C@H](C)C2 2314773904 ITSBGQCSIWEZIV-INIZCTEOSA-N 452.576 5.384 50 10 JKGE COc1cc(C=C(C#N)c2cccc(Cl)c2)ccc1OC(=O)c1ccccc1Br 2320506799 RTSRTEXWYLILOE-UHFFFAOYSA-N 468.734 6.394 50 10 JKGE CC(C)(C)OC(=O)NCCCCCC(=O)NN=Cc1ccccc1OCc1ccccc1Cl 2328835320 PLSMECLJMANAAL-UHFFFAOYSA-N 474.001 5.454 50 10 JKGE C[C@@H](CCNC(=O)C(C#N)=Cc1cccc(Br)c1)c1cccc(-c2ccc(O)cc2)c1 2329694472 SIPUSXWZGACNTE-SFHVURJKSA-N 475.386 6.039 50 10 JKGE CCOC(=O)c1cc(-c2ccccc2)sc1NC(=O)C(C#N)=Cc1cccc(Br)c1 2329699347 HSSTZOLLTVJZHQ-UHFFFAOYSA-N 481.371 5.900 50 10 JKGE N#CC(=C(O)c1ccc2c(c1)C(=O)N(C1CCCCC1)C2=O)c1nc(-c2ccccc2Cl)cs1 2331266088 XDKMIBACHGKXQL-UHFFFAOYSA-N 489.984 6.342 50 10 JKGE CCOc1ccc(OCC)c(-c2csc(C(C#N)=C(O)C=Cc3ccc(C(C)C)cc3)n2)c1 2331376582 VMZMVMRBZMYIST-UHFFFAOYSA-N 460.599 7.237 50 10 JKGE COc1cc(-c2csc(C(C#N)=C(O)[C@H](C)Oc3ccccc3C(C)C)n2)c(OC)cc1Cl 2331377011 WUVFFOAREGJREN-HNNXBMFYSA-N 485.005 6.864 50 10 JKGE COc1cc(-c2csc(C(C#N)=C(O)c3ccc(F)c(F)c3F)n2)c(OC)cc1Cl 2331377436 ZCCGFCNTGAPDLU-UHFFFAOYSA-N 452.841 5.848 50 10 JKGE COc1cc(C=C(C#N)c2nc(-c3ccc4ccccc4c3)cs2)ccc1OCc1ccc(C)cc1 2331417179 WTERMRYXDKDUHL-UHFFFAOYSA-N 488.612 7.924 50 10 JKGE CCCOc1c(Br)cc(C=C(C#N)c2nc(-c3ccc(F)c(F)c3)cs2)cc1OC 2331462736 LEHDDPGVMIQXFC-UHFFFAOYSA-N 491.357 6.712 50 10 JKGE CCCCOc1ccc(C=C(C#N)c2nc(-c3cc(C(C)C)c(OC)cc3C)cs2)cc1OCC 2331463620 VUSPLBMUDXYCLB-UHFFFAOYSA-N 490.669 7.892 50 10 JKGE Brc1cc(OCc2ccccc2)ccc1[C@@H](Br)c1cccc(C2CC2)c1 2336058092 XUPNMHKSOQQAFH-QHCPKHFHSA-N 472.220 7.390 50 10 JKGE C[C@@H](C[C@@H](Br)c1c(Cl)cc(Br)c(F)c1Br)C(F)(F)F 2337105257 WBAAACSBOPNRAY-CRCLSJGQSA-N 491.342 7.029 50 10 JKGE Cc1cc([C@@H](Br)c2c(C)cc(Br)c(F)c2Br)oc1C 2339656595 PJHMAIHOSDWHIT-GFCCVEGCSA-N 454.959 6.353 50 10 JKGE Cc1cc(Br)c(F)c(Br)c1[C@@H](Br)[C@@H]1C[C@H]1C(C)(C)C 2339684207 LITFIBGGYMRXCO-LNLATYFQSA-N 457.019 6.777 50 10 JKGE Brc1cc(CN2CC[C@@H]3C[C@@H](Br)CC[C@H]32)ccc1I 2349824774 AIFWTAJWNUYSIE-TYNCELHUSA-N 499.028 5.192 50 10 JKGE CS(=O)(=O)C1([C@H](Br)c2c(F)cc(Cl)c(Br)c2Cl)CCC1 2360422986 VVTRATQOACBEIH-LLVKDONJSA-N 468.997 5.298 50 10 JKGE CC1(C)OCCO[C@H]1[C@H](Br)c1c(F)cc(Cl)c(Br)c1Cl 2360426253 JZQDPJJCARDOLJ-PWSUYJOCSA-N 450.957 5.525 50 10 JKGE F[C@]12CCC[C@]1(CBr)CN(Cc1ccc(Cl)c(I)c1)C2 2362370495 IEAGPSNBRYCPBR-GJZGRUSLSA-N 472.567 5.034 50 10 JKGE Clc1ccc(CN2CC3(CCCC3)C[C@@H]2CBr)cc1I 2362379913 PAHJARRDEXOJFW-CYBMUJFWSA-N 468.604 5.474 50 10 JKGE C[C@]12C[C@H](C1)[C@@H]([C@@H](Br)c1c(Br)cc(Cl)c(Cl)c1Cl)CO2 2362914956 GCUXBBSXSCQENO-PUDGGNRWSA-N 463.424 6.660 50 10 JKGE CN(CC[C@@H](Br)c1cccs1)C(=O)c1scc(Br)c1Cl 2366243755 PXUDFGTZTVKPFR-MRVPVSSYSA-N 457.640 5.824 50 10 JKGE Cc1cc(Br)c(C)c([C@H](Br)C[C@H]2CC[C@H]2C2CC2)c1Br 2367951933 WBBHSOGRYPMMIJ-VNHYZAJKSA-N 465.067 7.091 50 10 JKGE C[C@H](Br)CN(C(=O)c1cc(Br)ccc1Br)C1CCCC1 2368847413 OETQODCBOOIYIZ-JTQLQIEISA-N 468.027 5.380 50 10 JKGE Cc1scc([C@@H](Br)c2cc(Br)c3c(c2)CCCO3)c1Br 2369589678 ZOSGZNNQUWUCQJ-AWEZNQCLSA-N 481.047 6.391 50 10 JKGE O=C(NN=C(c1ccc(Br)cc1)c1ccc(Br)cc1)Nc1ccccc1 3080577 CQUJJFGWUFOERL-UHFFFAOYSA-N 473.168 5.786 50 10 JKGE COc1ccc(Br)cc1[C@H]1CC(=O)N2CN(c3c(C)cccc3C)CSC2=C1C#N 9693457 HFEJOBRGEIWPAK-QGZVFWFLSA-N 484.419 5.294 50 10 JKGE Cc1ccc(C)c(O[C@@H](C)C(=O)NNC(=O)c2ccc(NC(=O)c3ccc(C(C)(C)C)cc3)cc2)c1 14008659 MLQVVRSYQQAXNH-FQEVSTJZSA-N 487.600 5.082 50 10 JKGE Cc1cc(C)c(NC(=O)CSC2=C(C#N)[C@H](c3cccs3)C3=C(CCCC3=O)N2)c(C)c1 27550310 BQKVNNRAYIXBTF-JOCHJYFZSA-N 463.628 5.474 50 10 JKGE COc1ccc(/C(C#N)=C\c2ccc(OC(=O)COc3cc(C)ccc3C)c(OC)c2)cc1OC 31902081 UHVRSYXHEFKXSC-XKZIYDEJSA-N 473.525 5.378 50 10 JKGE COc1ccc(NC(=O)/C(C#N)=C\c2cccc(OC(=O)c3ccc(Cl)cc3)c2)c([N+](=O)[O-])c1 33618204 MYNDOVOCPWBCBK-BOPFTXTBSA-N 477.860 5.022 50 10 JKGE COc1ccc(/C=C(/C#N)c2nc(-c3cc4c(ccc5ccccc54)oc3=O)cs2)cc1O 33731406 LTSICFNRYAYYSH-YVLHZVERSA-N 452.491 5.848 50 10 JKGE CCOc1ccccc1C(=O)Oc1ccc2c(c1)OC(N)=C(C#N)[C@@H]2c1cccc2ccccc12 38657938 COWHBDGDZVSYTN-HHHXNRCGSA-N 462.505 5.676 50 10 JKGE CCCCCOc1cccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4ccc(OCC)cc4)ccc32)c1 38684803 NINFXQKSMSIQAN-NDEPHWFRSA-N 498.579 6.092 50 10 JKGE COc1ccccc1[C@@H]1C(C#N)=C(N)Oc2cc(OC(=O)c3cc(Cl)c(OC)c(Cl)c3)ccc21 38687250 HCDJWXFSZIHTBV-QFIPXVFZSA-N 497.334 5.448 50 10 JKGE Nc1c(NNC(=O)C(c2ccccc2)c2ccccc2)ncnc1Oc1cccc2ccccc12 40683333 POGWQMQJAMRVEG-UHFFFAOYSA-N 461.525 5.280 50 10 JKGE Cc1c(C(=O)N2CCCc3ccccc32)oc2c1/C(=N/NC(=O)c1ccc(Cl)cc1)CCC2 40811672 UUUSQWKRHFQOPE-VFCFBJKWSA-N 461.949 5.305 50 10 JKGE Cc1ccc2cccc(OC(=O)c3oc4c(c3C)/C(=N/NC(=O)c3cccc([N+](=O)[O-])c3)CCC4)c2n1 40813074 IDXIWIGWINBMME-ZTKZIYFRSA-N 498.495 5.042 50 10 JKGE CCOC(=O)/C(C#N)=C/c1ccc(OC(=O)CCCOc2cc(C)c(Cl)c(C)c2)c(OCC)c1 40948465 HHFUUBQNGQEFHD-XSFVSMFZSA-N 485.964 5.590 50 10 JKGE CC(C)(C)c1ccc(OCCCC(=O)N/N=C/c2ccc(Cl)cc2)c(Br)c1 40951325 WTHSKWUYDZAYEA-ZVHZXABRSA-N 451.792 5.709 50 10 JKGE Cc1nn(Cc2ccccc2Cl)c(C)c1/C=N/NC(=O)[C@H](C)c1ccc(CC(C)C)cc1 59152897 YXYNTVAHVIQLFE-OVNWTWFZSA-N 451.014 5.654 50 10 JKGE COC(=O)c1ccc(-c2ccc(/C=N/NC(=O)c3cc4cc(Br)ccc4o3)o2)c(C)c1 59303834 IPNUMYHUMLBPST-BRJLIKDPSA-N 481.302 5.314 50 10 JKGE Fc1ccc(Br)cc1-n1c(CCCl)nc2cc(I)ccc21 97354141 SURNYWZLKTXXCR-UHFFFAOYSA-N 479.518 5.313 50 10 JKGE Cc1ccc([C@H](Br)c2cc(Cl)c(Br)cc2F)c(Br)c1 97895673 PCRRWNBQOPTKCW-AWEZNQCLSA-N 471.389 6.797 50 10 JKGE Cc1cc(/C=C(\C#N)C(=O)Nc2ccc(Cl)cc2)c(C)n1-c1ccc(Cl)c(C(=O)O)c1 98064435 LQNNMIUFZKTQDF-MHWRWJLKSA-N 454.313 5.645 50 10 JKGE O=C(N/N=C1/C(=O)N(Cc2ccccc2)c2ccccc21)[C@@H]1CC1(c1ccccc1)c1ccccc1 100433929 SIRSNMAMAJZOKG-DCQGRGEYSA-N 471.560 5.060 50 10 JKGE C=CCOc1ccc(-c2nn(-c3ccccc3)cc2/C=C2/C(=O)N(CC(C)C)C(=O)C(C#N)=C2C)cc1 101303361 ZOGJTSCJGGXUSY-WGOQTCKBSA-N 492.579 5.352 50 10 JKGE N#C/C(=C/c1ccc(OCc2ccc(C(=O)O)cc2)c(Cl)c1)C(=O)Nc1ccc(F)cc1 101425739 APUOATXSGQQGQF-WQRHYEAKSA-N 450.853 5.302 50 10 JKGE Brc1cc([C@H](Br)c2cc3ccccc3s2)c(Br)s1 109869854 BVSULLJLGFYCFX-LBPRGKRZSA-N 467.045 6.972 50 10 JKGE O=c1[nH]c2cc(Br)c([C@H](Br)c3cc(Cl)ccc3Cl)cc2[nH]1 109884290 HDHQGGJAAQXQDP-ZDUSSCGKSA-N 450.945 5.410 50 10 JKGE COc1ccc(Br)cc1CC(CBr)(CBr)CC(C)C 118669877 KCXXLTVAPDPATQ-UHFFFAOYSA-N 457.044 5.823 50 10 JKGE Cc1cc(Br)c([C@@H](Cl)c2ccc(Br)cc2)cc1Br 128609604 GGVHHYCSPYKLIV-AWEZNQCLSA-N 453.399 6.611 50 10 JKGE COc1ccc(C)cc1[C@H](Br)c1cc(Br)c(C)cc1Br 128829323 KLXZFIKZVQPYAA-MRXNPFEDSA-N 463.007 6.321 50 10 JKGE Fc1cccc(CC(CCl)(CCl)c2ccccc2Br)c1Br 157922437 QPIREFZCPSPEMR-UHFFFAOYSA-N 454.992 6.309 50 10 JKGE C[C@@](CBr)(OCc1ccccc1Br)c1ccccc1Br 162559753 CMTRKTUEGMMDHU-INIZCTEOSA-N 463.007 6.039 50 10 JKGE Fc1cc([C@H](Br)c2cc(Br)ccc2Br)c(F)cc1Cl 167713313 YUZBDYNDCKMQON-CYBMUJFWSA-N 475.352 6.628 50 10 JKGE CCOc1ccc([C@@H](Cl)c2cccc(I)c2)cc1Br 228989267 YAJWMXOKGJHXCF-HNNXBMFYSA-N 451.529 5.781 50 10 JKGE C[C@@H]1CCCC[C@H]1NC(=O)[C@H](c1ccccc1Cl)N(Cc1ccccc1Cl)C(=O)CCl 230275187 JRFUEJYPTUPSIH-VZPUWSDOSA-N 481.851 5.997 50 10 JKGE CC(C)(C)c1ccc([C@H](Br)c2ccc(F)cc2I)s1 232512251 ILEUNYMSQLPMNH-CQSZACIVSA-N 453.158 6.274 50 10 JKGE Cc1cc([C@@H](Br)c2ccc(Br)cc2Br)c(C)cc1Cl 235863996 RYKOOSKTPUDTEY-HNNXBMFYSA-N 467.426 6.966 50 10 JKGE FC(F)(F)C([C@@H](Br)c1cc(Br)c(Br)s1)C(F)(F)F 236096929 BDUGONHTORJWNJ-BYPYZUCNSA-N 484.879 6.450 50 10 JKGE CCOc1ccc(-n2c(SCC(=O)NN=C(C)c3ccc(F)cc3)nnc2-c2ccccc2)cc1 254287878 MJFLWAAXRKITMO-UHFFFAOYSA-N 489.576 5.105 50 10 JKGE CC1(C)CC[C@@]23C=C[C@]4(OO2)[C@@]2(C)CC[C@H]5C(C)(C)[C@@H](O)[C@@H](O)C[C@@]5(C)[C@H]2CC[C@]4(C)[C@H]3C1 257417006 FMQSPIDOGLAJKQ-ZWGFYAJBSA-N 458.683 5.813 50 10 JKGE biogenic CC(C)COc1ccc(C=NNC(=O)c2ccc([C@@H]3SCC(=O)N3Cc3ccccc3)cc2)cc1 263627297 ANXGDUMSYFYVHL-NDEPHWFRSA-N 487.625 5.260 50 10 JKGE Fc1c(Cl)cccc1[C@H](Br)c1cc(I)cc2c1OCC2 312413623 XJFLLZMLWNVYGC-ZDUSSCGKSA-N 467.503 5.503 50 10 JKGE Cc1cc([C@@H](Br)c2cc3c(cc2Br)NC(=O)C3)sc1Br 380253820 PWWCLLAGIHPZER-ZDUSSCGKSA-N 480.019 5.560 50 10 JKGE COc1cc(Br)ccc1[C@@H]1CN(Cc2ccccc2)C[C@@H]1CI 382696884 LFCBQUABRKRPOC-MAUKXSAKSA-N 486.191 5.108 50 10 JKGE ClC[C@H](Cc1cc(Cl)ccc1I)c1ccccc1Br 405496502 BGKGOMCBIIFPOJ-NSHDSACASA-N 469.975 6.272 50 10 JKGE C[C@H](Cl)c1nc2cc(I)c(F)cc2n1C1CC(OCc2ccccc2)C1 716151016 AGOCVZCXDVPFBO-GRTSSRMGSA-N 484.740 6.000 50 10 JKGE Cc1ccc(NC(=O)C(=O)NN=Cc2cc(C)n(-c3cc(Cl)cc(Cl)c3)c2C)cc1C 725388082 WGEJMRKRMVEZHS-UHFFFAOYSA-N 457.361 5.107 50 10 JKGE N#C/C(=C\c1cn(Cc2ccc(Br)cc2)c2ccccc12)C(=O)NCc1ccccc1 1084159298 JMMYMHQEOZRJMG-KGENOOAVSA-N 470.370 5.675 50 10 JKGE Cc1cc(C)cc(CSCC(=O)NN=Cc2c(Br)c(C)n(-c3ccccc3C)c2C)c1 1084183371 DIICBHPIDGNBCD-UHFFFAOYSA-N 498.490 6.165 50 10 JKGE Cc1ccc(-n2c(C)c(Br)c(C=NNC(=O)CSCc3ccccc3)c2C)cc1 1084265563 PEUBYBWCKRAJHM-UHFFFAOYSA-N 470.436 5.549 50 10 JKGE Cc1ccc(NC(=O)/C(C#N)=C/c2cc(C)n(-c3ccc(Br)cc3F)c2C)cc1 1084344441 ANDDWAZOCRZVOD-WOJGMQOQSA-N 452.327 5.850 50 10 JKGE CC(C)CCC[C@H](C)[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 1848665546 XOLVVFSHDULKRS-KQMZOHCDSA-N 477.173 8.567 50 10 JKGE N#CSc1ccc(NC(=O)c2cc(CCc3ccccc3)n(-c3ccc(Cl)cc3)n2)cc1 1862326495 GBEPNBNTRJDZRU-UHFFFAOYSA-N 458.974 6.136 50 10 JKGE N#CC1=C(N)Oc2c(c(-c3ccccc3)nn2Cc2c(F)cccc2Cl)[C@H]1c1cccc(O)c1 1865681025 CSIHNXVFYPGROA-QFIPXVFZSA-N 472.907 5.315 50 10 JKGE C=CCOc1ccccc1[C@@H]1C(C#N)=C(N)Oc2c1c(CC)nn2-c1ccc(Cl)c(Cl)c1 1865691523 UUSWXYMHQVZVEN-OAQYLSRUSA-N 467.356 5.524 50 10 JKGE CCCCCOc1ccc([C@H]2C(C#N)=C(N)Oc3c2c(CC)nn3Cc2ccc(F)cc2)cc1OC 1865697055 VQILBJOCARDMGE-VWLOTQADSA-N 490.579 5.429 50 10 JKGE COc1ccc(-c2nn(C)c3c2[C@@H](c2ccccc2OCc2ccccc2Cl)C(C#N)=C(N)O3)cc1 1865703484 WOPFEMGSEOBZCI-DEOSSOPVSA-N 498.970 5.546 50 10 JKGE CC(C)Oc1ccccc1[C@@H]1C(C#N)=C(N)Oc2c1c(C(F)(F)F)nn2Cc1ccc(Cl)cc1 1865705039 KLGOHDFFHZEZON-LJQANCHMSA-N 488.897 5.609 50 10 JKGE COc1ccc(-n2nc(-c3ccccc3)c3c2OC(N)=C(C#N)[C@H]3c2ccc(Cl)c([N+](=O)[O-])c2)cc1 1865706242 RCCFZKAFIYPJPU-JOCHJYFZSA-N 499.914 5.328 50 10 JKGE COc1ccc(-c2nn(-c3cccc(Cl)c3)c3c2[C@@H](c2ccccc2C)C(C#N)=C(N)O3)cc1 1865712545 BCHLILMNCKJYFQ-QHCPKHFHSA-N 468.944 5.728 50 10 JKGE Cc1nc(-c2ccc(Cl)cc2Cl)ccc1C(=O)NNC(=O)c1c(F)cccc1Cl 1865759547 GEFYDWDOAZKHKU-UHFFFAOYSA-N 452.700 5.231 50 10 JKGE Cc1ccc(-c2cc(C(=O)N[C@H](C(=O)Nc3ccc(SC#N)cc3)c3ccccc3)nn2C)cc1C 1866826355 PBGTWOWAEGUTTF-SANMLTNESA-N 495.608 5.387 50 10 JKGE COCCc1nc(Nc2ccc(SC#N)cc2)cc(N2CCO[C@H](c3ccc(Cl)cc3)C2)n1 1868253284 FERFNNAMVFJEIR-NRFANRHFSA-N 482.009 5.214 50 10 JKGE CCOc1ccc(/C=C/C(O)=C(\C#N)c2nc(-c3cc(C(C)(C)C)ccc3OC)cs2)cc1 1872751327 BUZUJTFJHWLJNP-JURBMKICSA-N 460.599 7.021 50 10 JKGE CCOc1cc(/C=C(\C#N)c2nc(-c3ccccc3)cs2)ccc1OCc1ccccc1C 1872790265 WCCMDIDJEOPJMP-BUVRLJJBSA-N 452.579 7.160 50 10 JKGE COc1cc(Br)cc(/C=C(\C#N)c2nc(-c3ccc4c(c3)OCO4)cs2)c1O 1872792023 AFBDPKJTHLWPLK-YIXHJXPBSA-N 457.305 5.080 50 10 JKGE COc1cccc(/C=C(\C#N)c2nc(-c3ccc4c(c3)OCCO4)cs2)c1OCc1cccc(C)c1 1872792442 ZFUHRFMBLJLRNV-OEAKJJBVSA-N 496.588 6.542 50 10 JKGE COc1c(Cl)cc(Cl)cc1-c1csc(/C(C#N)=C/c2ccc(C(F)(F)F)cc2)n1 1872792635 JDXWXMSESIHUHZ-WUXMJOGZSA-N 455.288 7.208 50 10 JKGE COc1cc(-c2csc(/C(C#N)=C/c3cc(OC)c(OC)cc3OC)n2)c(OC)cc1Cl 1872793642 LDGVSFYFIATBRO-MKMNVTDBSA-N 472.950 5.571 50 10 JKGE COc1cc(C)c(-c2csc(/C(C#N)=C/c3cc(Br)cc(OC)c3O)n2)cc1C 1872794695 QMJFZTCSIABYGB-VIZOYTHASA-N 471.376 5.976 50 10 JKGE O=C(N[C@@H](CCCl)COCc1ccccc1)c1cc(Br)sc1Br 1902914607 VBOVQVMQKNERPA-LBPRGKRZSA-N 481.637 5.217 50 10 JKGE O=C1c2ccccc2C(=O)N1C[C@H](Br)CCc1cc(Cl)cc(Br)c1 1905436785 DCHVXUKWCOFFNC-GFCCVEGCSA-N 471.576 5.095 50 10 JKGE C[C@@H](Cl)c1nc2c(Br)cc(F)cc2n1C1(CCOCc2ccccc2)CC1 1912667242 WHOCGTPZODRVFG-CQSZACIVSA-N 451.767 6.334 50 10 JKGE Cc1cccc(C(=O)N(Cc2ccccc2)[C@H](C)CBr)c1I 1914230590 WWXVEVBHXRIXAY-CQSZACIVSA-N 472.164 5.025 50 10 JKGE O=C(c1scc(Br)c1Br)N1CC[C@@]2(CCC[C@H]2Br)C1 1918927999 RDHYJANJVTUUNT-RNCFNFMXSA-N 472.040 5.053 50 10 JKGE FC1(F)CCC[C@H]1C[C@H](Br)c1sc(Br)cc1Br 1922881288 HYXCITKWODDZSY-BQBZGAKWSA-N 452.984 6.535 50 10 JKGE FC1(F)CCC[C@H]1C[C@@H](Br)c1c(Br)sc(Br)c1Cl 1923063271 XJKULEKVGDTSQI-NTSWFWBYSA-N 487.429 7.188 50 10 JKGE Cn1cc(Cl)c([C@@H](Cl)c2c(Br)sc(Br)c2Br)n1 1924571619 SNAZANYIFYZPNY-LURJTMIESA-N 483.838 5.751 50 10 JKGE COc1cc([C@@H](Cl)c2c(Br)sc(Br)c2Br)ccc1F 1924596578 QHFNBFPPHGMOQF-SNVBAGLBSA-N 493.417 6.512 50 10 JKGE Fc1ccc(Cl)c([C@H](Br)c2c(Cl)sc(Br)c2Cl)c1 1925587015 FYFFYEPVZDQYEN-QMMMGPOBSA-N 453.385 7.094 50 10 JKGE Clc1sc(Br)c(Cl)c1[C@@H](Br)[C@H]1CCCc2ccccc21 1925599489 NMCQXPSLZLJPKH-JQWIXIFHSA-N 455.042 7.374 50 10 JKGE C[C@]1([C@@H](Br)c2cc(Br)sc2Br)C[C@@H]1C(F)(F)F 1950757083 GJMXTOZOSHWHSD-GCHGDONOSA-N 456.947 6.298 50 10 JKGE CCOC1([C@@H](Br)c2c(Br)sc(Br)c2Br)CC1 1979426853 IPQIYWGUQDJYNQ-ZETCQYMHSA-N 497.872 6.041 50 10 JKGE Cc1sc([C@H](Br)c2cc(Br)c(Cl)s2)c(C)c1Br 2004901623 BFGSEMXGTFJRMV-SECBINFHSA-N 479.484 7.089 50 10 JKGE O=S(=O)(c1cc(CBr)oc1Br)N(Cc1ccccc1)C1CCCC1 2009622807 VVMJFIKZYPIGTI-UHFFFAOYSA-N 477.218 5.071 50 10 JKGE CCCN(Cc1ccccc1)S(=O)(=O)c1ccc(Cl)c(CBr)c1Cl 2009644594 JQPLOWQOXNHWGJ-UHFFFAOYSA-N 451.213 5.489 50 10 JKGE Cc1sc(Br)c([C@@H](Br)c2ccccc2I)c1C 2024021151 ANWOFKOSZGEZPO-LBPRGKRZSA-N 486.010 6.216 50 10 JKGE COc1sc([C@@H](Br)c2cccc(Br)c2F)cc1Br 2034630092 SWCNNFGEOQXXFR-JTQLQIEISA-N 458.972 5.905 50 10 JKGE CC[C@H](CBr)CN(CCCNC(=O)OC(C)(C)C)c1cccc(Br)c1 2044700497 CHARODMDROUTRU-OAHLLOKOSA-N 478.269 5.591 50 10 JKGE BrCc1cc(Br)ccc1N1CC[C@H]2CN(Cc3ccccc3)C[C@H]2C1 2049664695 LDJSOUHEGICTSR-HKUYNNGSSA-N 464.245 5.302 50 10 JKGE Fc1cc(Br)cc(N(Cc2ccccc2)CC2CCOCC2)c1CBr 2051132374 ZIXBDKUOTCCKSL-UHFFFAOYSA-N 471.208 5.916 50 10 JKGE COC[C@@H]1CC[C@@H]([C@H](Cl)c2c(Br)sc(Br)c2Br)C1 2061293794 UDFVDFBANZPTPD-XSSZXYGBSA-N 481.475 6.378 50 10 JKGE Fc1cc(Br)ccc1[C@@H](Cl)c1ccc(Br)cc1Br 2083330836 SXXBYCMKKLBOCZ-ZDUSSCGKSA-N 457.362 6.441 50 10 JKGE Cc1ccc([C@H](Br)c2ccc(Br)cc2Br)c(Cl)c1 2083340594 VGHMMELZFDAHBU-CQSZACIVSA-N 453.399 6.658 50 10 JKGE Cc1cc(Br)ccc1[C@H](Br)c1ccc(Br)cc1Br 2083341160 XYDWHJGPSHLPHK-AWEZNQCLSA-N 497.850 6.767 50 10 JKGE CC1(C)C[C@H](Br)CCN(Cc2c(Br)cccc2Br)C1 2094102063 KRDVXBRNZKERNL-LLVKDONJSA-N 454.044 5.597 50 10 JKGE CN(C[C@H]1CCCN(Cc2ccccc2)C1)c1c(CCl)ccc(Br)c1Cl 2098116859 LCHOQXWEAFKSRL-QGZVFWFLSA-N 456.255 6.190 50 10 JKGE Clc1cccc(Cl)c1C[C@@H](Cl)c1c(Br)sc(Br)c1Cl 2104787928 WADGRBBSRDNJHB-MRVPVSSYSA-N 483.867 7.756 50 10 JKGE Brc1ccc(C[C@@H]2CCCCCCC[C@H]2Br)c(Br)c1 2112483462 HOJMEKOCIMBKES-SWLSCSKDSA-N 453.056 6.878 50 10 JKGE CCc1nc([C@@H](Br)c2ccc(OC)c(Br)c2)c(Br)s1 2113181969 BAWPMNFXBJQYBQ-NSHDSACASA-N 470.024 5.723 50 10 JKGE CC(C)(C)C1CCC(CI)(OCCOCCOCc2ccccc2)CC1 2120312956 FEAXTBRFSZFHAD-UHFFFAOYSA-N 474.423 5.647 50 10 JKGE CCn1cc(Br)c([C@H](Br)c2ccc(C)c(Br)c2C)n1 2124774212 SZJCXONQKSNMJW-CYBMUJFWSA-N 451.000 5.529 50 10 JKGE Clc1ccc(Br)c(CO[C@H](CI)c2ccccc2)c1 2135984559 UMJLATQTBAJLJV-OAHLLOKOSA-N 451.529 5.795 50 10 JKGE Cc1cc(Br)c(C)c([C@@H](Br)[C@]2(C)CCCOC2)c1Br 2136379398 KBACCEACYZNKMG-HUUCEWRRSA-N 455.028 6.081 50 10 JKGE O=C(NC[C@@H]1CCCC[C@H]1CBr)c1cccc(Br)c1Br 2148770267 NUCSEFQORGAGOD-QWRGUYRKSA-N 468.027 5.143 50 10 JKGE O=C(N[C@H](CBr)c1ccccc1)c1c(Br)cccc1Br 2150490440 HAQGGKGMHXQZSP-CYBMUJFWSA-N 461.979 5.078 50 10 JKGE CN(Cc1ccccc1)C1(Cn2c(CCl)nc3cc(I)ccc32)CCCC1 2155102951 SHKRMQCNPASDHD-UHFFFAOYSA-N 493.820 5.825 50 10 JKGE C[C@@H]1CN(Cc2ccccc2)C[C@@H]1Cn1c(CCl)nc2cc(Cl)c(Br)cc21 2169015076 HVFYLFZXRBVZMP-GDBMZVCRSA-N 467.238 5.959 50 10 JKGE Fc1ccc(I)cc1[C@@H](Cl)c1cc2c(cc1Br)OCC2 2169660730 DWJUIDHZPKJEDS-HNNXBMFYSA-N 467.503 5.456 50 10 JKGE C[C@H]1[C@H](C(F)(F)F)N(CC2(CBr)CCCCC2)CCN1C(=O)OC(C)(C)C 2172610242 UEWKWIUWEAJZFZ-LSDHHAIUSA-N 457.375 5.204 50 10 JKGE Cc1c([C@H](Br)c2cc(Cl)c(Cl)c(Cl)c2Cl)c(Br)nn1C 2188149766 FVNMMYUCFQUWEB-MRVPVSSYSA-N 481.830 6.589 50 10 JKGE CC(C)(C)C(=O)[C@@H](Br)Cc1ccc(C(F)(F)F)cc1I 2204126908 INBOYPUZOAEQFS-JTQLQIEISA-N 463.075 5.231 50 10 JKGE Clc1cc(Br)ccc1C[C@@H](Cl)c1cccc(I)c1 2221693445 PVAQRYDNTPFGGA-CYBMUJFWSA-N 455.948 6.230 50 10 JKGE Cn1nc([C@@H](Br)c2c(Br)cc(Cl)c(Cl)c2Cl)cc1Cl 2224324005 UKZIEKCTURJCLP-SECBINFHSA-N 467.803 6.281 50 10 JKGE Fc1cc(Br)c(Br)cc1[C@H](Br)C1CC(C(F)(F)F)C1 2225616785 QBAUIECHBQVYGW-TUXAIXRJSA-N 468.908 6.375 50 10 JKGE ClCCc1nc2cc(Br)c(Br)cc2n1C1CC(OCc2ccccc2)C1 2225696444 HGAJLQKQTYRVSR-UHFFFAOYSA-N 498.646 6.263 50 10 JKGE Cc1c([C@@H](Cl)c2c(Br)cc(Cl)c(Cl)c2Cl)nn(C)c1Br 2232510879 ISJAZMRARLBVQR-JTQLQIEISA-N 481.830 6.542 50 10 JKGE C[C@]1([C@H](Br)c2c(Br)cc(Cl)c(Cl)c2Cl)CCCC1(F)F 2232512528 NQDQRZHLLVKIMY-VXGBXAGGSA-N 471.394 7.671 50 10 JKGE Clc1cc(Br)c([C@@H](Br)C[C@@H]2CCCOCC2)c(Cl)c1Cl 2232520633 PPXPVHZBLQMFNR-BDAKNGLRSA-N 465.440 7.052 50 10 JKGE Cc1cc(Br)c([C@H](Br)C[C@H]2C[C@@H]2C(F)(F)F)c(C)c1Br 2235607846 HHWYYROCFGYDDY-WCABBAIRSA-N 478.972 6.853 50 10 JKGE Fc1cccc([C@H](Br)c2c(F)cc(F)c(Br)c2F)c1Br 2236109490 NEZDZQOLSVINQB-NSHDSACASA-N 476.887 6.252 50 10 JKGE Clc1cc(Cl)cc(C[C@H](Br)c2cc(C3CC3)c(Br)s2)c1 2240908656 AJTSADXJSUEWAW-ZDUSSCGKSA-N 455.042 7.374 50 10 JKGE Fc1cc(Br)c(F)c(Br)c1[C@@H](Br)c1ccc(Cl)s1 2260072669 BQRQIANMDZAWEK-VIFPVBQESA-N 481.381 6.689 50 10 JKGE COc1cc([C@H](Br)Cc2cc(Br)cc(Br)c2)sn1 2263519886 XVKIWGNZDFKYRC-SNVBAGLBSA-N 455.997 5.355 50 10 JKGE COc1ccc([C@H](Br)Cc2ccccc2Br)cc1I 2269547462 UPOSRJCACMHZBK-CYBMUJFWSA-N 495.980 5.741 50 10 JKGE Clc1cc(Br)c([C@H](Br)C[C@H]2CCCC23CC3)c(Cl)c1Cl 2281372508 RFBNMLCJLDTOPZ-RKDXNWHRSA-N 461.452 7.816 50 10 JKGE FCc1ccc2c(c1)nc(CCCl)n2CC1(N(Cc2ccccc2)Cc2ccccc2)COC1 2283572178 BSPIESAUGPFLLY-UHFFFAOYSA-N 478.011 5.759 50 10 JKGE CCOC(=O)c1c(NC=C(C#N)c2nc(-c3ccccc3)cs2)sc2c1CC[C@@H](C(C)(C)C)C2 2296790071 MABMKMSZQIVDNI-LJQANCHMSA-N 491.682 7.176 50 10 JKGE Brc1cccc(Br)c1CO[C@@H]1CCCC[C@H]1I 2302081166 YSQQOXWANZAHIZ-CHWSQXEVSA-N 473.974 5.474 50 10 JKGE COc1ccc(C=CC(=NNC(=O)C(O)(c2ccccc2)c2ccccc2)c2ccc(OC)cc2)cc1 2313530571 QLPSPVBRMMCKIP-UHFFFAOYSA-N 492.575 5.174 50 10 JKGE N#CC(=Cc1ccc(OCc2ccc3ccccc3c2)cc1)C(=O)NCCc1c[nH]c2ccccc12 2313556922 ONZOTNYDGLNJEC-UHFFFAOYSA-N 471.560 6.166 50 10 JKGE FC1(F)[C@@H]2[C@@H]([C@@H](Br)c3ccc(OCc4ccccc4)cc3Br)CC[C@H]21 2314496974 GSPSZTOLPIFURF-ISARSNTHSA-N 472.167 6.755 50 10 JKGE Fc1cccc(Br)c1[C@H](Cl)c1cc(Br)ccc1OCc1ccccc1 2314503256 QMVCYOPNGSAELM-HXUWFJFHSA-N 484.590 7.258 50 10 JKGE C=CCN1C(=O)C(=Cc2ccc(OCc3ccc(Cl)cc3)c(OCC)c2)C(C)=C(C#N)C1=O 2314616671 GWFRHYDRTOKEMI-UHFFFAOYSA-N 462.933 5.096 50 10 JKGE CCOc1cc(C=C2C(=O)N(C3CCCCC3)C(=O)C(C#N)=C2C)ccc1OCCC(C)C 2314617479 YZBKHFYPGWTTPZ-UHFFFAOYSA-N 450.579 5.435 50 10 JKGE Fc1c(Br)cc(Cl)c([C@@H](Br)[C@H]2[C@H]3CCC[C@H]32)c1Br 2315445718 AABAAMFLJJNZTN-FAEGPNRZSA-N 461.394 6.486 50 10 JKGE Fc1cc(Cl)c([C@@H](Cl)c2sc(Cl)cc2I)c(Cl)c1 2318359077 ZTXJGGDQKPDQGR-SNVBAGLBSA-N 455.934 6.780 50 10 JKGE COc1ccc(C(C#N)=Cc2ccc(OC(=O)C(c3ccccc3)c3ccccc3)cc2)cc1OC 2320507317 OSOGMUJREBAHSB-UHFFFAOYSA-N 475.544 6.505 50 10 JKGE CCCOc1c(Cl)cc(C=NNC(=O)c2ccc3[nH]c4c(c3c2)C[C@H](C)CC4)cc1Cl 2323168519 DQWHADNFXIFCKD-CQSZACIVSA-N 458.389 6.152 50 10 JKGE O=C(C=Cc1ccc(Cl)cc1Cl)NN=C1C(=O)N(Cc2ccccc2Cl)c2ccccc21 2326839978 IDXZERUPSHTHMV-UHFFFAOYSA-N 484.770 5.727 50 10 JKGE CC(C)(C)c1ccc(C=CC(O)=C(C#N)c2nc(-c3cccc(Br)c3)cs2)cc1 2331279425 XMYRPVOMSWBOFI-UHFFFAOYSA-N 465.416 7.376 50 10 JKGE CCCCCCOc1ccc(C(O)=C(C#N)c2nc(-c3cc(C(C)(C)C)ccc3OC)cs2)cc1 2331349365 MSKODFRDISWZTJ-UHFFFAOYSA-N 490.669 8.025 50 10 JKGE COc1ccc(C(C)(C)C)cc1-c1csc(C(C#N)=C(O)CCCOc2ccc3ccccc3c2)n1 2331350835 XQHFLNDODSMVJV-UHFFFAOYSA-N 498.648 7.921 50 10 JKGE Cc1ccc(S(=O)(=O)NCC(O)=C(C#N)c2nc(-c3cc(Cl)ccc3Cl)cs2)cc1 2331405311 FNBJVFLYPLAVST-UHFFFAOYSA-N 480.398 5.197 50 10 JKGE N#CC(=Cc1ccc(OCc2ccc(Cl)cc2Cl)cc1)c1nc(-c2cccs2)cs1 2331450878 MMNDTLNHZACEJC-UHFFFAOYSA-N 469.418 7.822 50 10 JKGE Cn1c([C@@H](Br)c2c(F)cc(Cl)c(Br)c2Cl)cnc1Cl 2335303077 VIRYXUVKHKYAPH-SECBINFHSA-N 451.348 5.766 50 10 JKGE CCC1CC(C[C@@H](Br)c2c(Cl)cc(Br)c(F)c2Br)C1 2337088637 OFBSMWCAHKQZOB-AMDVSUOASA-N 477.437 7.266 50 10 JKGE CC[C@@]1([C@H](Br)c2c(Cl)cc(Br)c(F)c2Br)CCCO1 2337089742 DAUUZTXXOIZPRD-OLZOCXBDSA-N 479.409 6.399 50 10 JKGE Cc1c(Br)sc([C@@H](Br)[C@@H]2COC3(CCC3)CO2)c1Br 2338814820 VBRDHODZRMNUBE-WPRPVWTQSA-N 475.040 5.356 50 10 JKGE Cn1nc(Br)c(Br)c1[C@@H](Br)c1csc2ccccc12 2338859661 HPBJOZXFKAIJES-JTQLQIEISA-N 465.008 5.644 50 10 JKGE Cc1ccc(Oc2cc(Br)cc(Br)c2)c(CBr)c1Cl 2338866134 WYSYHCLNNKJXNG-UHFFFAOYSA-N 469.398 6.861 50 10 JKGE CCOc1ccc([C@@H](Br)c2cc(Br)c(Br)s2)c(F)c1 2341729977 UOWCAFIPPAFCLA-GFCCVEGCSA-N 472.999 6.295 50 10 JKGE Brc1cc(CN2CC[C@]3(CCC[C@H]3Br)C2)ccc1I 2349834330 KGQDHDCDSROGMP-HUUCEWRRSA-N 499.028 5.193 50 10 JKGE Cc1cnc(OCc2cc(I)ccc2Cl)c(CBr)c1 2352251211 CPEOVGYCTFICIF-UHFFFAOYSA-N 452.517 5.122 50 10 JKGE CCOc1ccc([C@H](Cl)c2c(Br)c(Br)nn2C)cc1Br 2364064667 UROHGQUETNXXMB-NSHDSACASA-N 487.417 5.435 50 10 JKGE Cc1cc(Br)c(F)c(Br)c1[C@@H](Cl)c1ccc(Cl)c(Cl)c1 2365187617 BXZLQAMKEVHBMY-ZDUSSCGKSA-N 461.383 7.294 50 10 JKGE Cc1cc(Br)c(F)c(Br)c1[C@H](Br)[C@]1(C)C[C@@H]1C(F)(F)F 2365222667 FZDHDLJXVACCEA-CQFDHEJISA-N 482.935 6.684 50 10 JKGE COc1c(Br)cc(C)c([C@H](Cl)c2cc(C)c(Cl)s2)c1Br 2365228580 QUBCPLHWOOAULX-GFCCVEGCSA-N 459.030 6.880 50 10 JKGE COc1cc(OC)c([C@@H](Br)c2csc(C)c2Br)cc1Br 2369593336 FDJKBFHKOYYFKT-CQSZACIVSA-N 485.035 6.083 50 10 JKGE Cl[C@H]1CCC2(CCN(Cc3ccc(I)c(Br)c3)CC2)C1 2377353011 NHNNRTGCPSGTBK-ZDUSSCGKSA-N 468.604 5.427 50 10 JKGE CC(C)(C)OC(=O)NCC(F)(F)[C@H]1CCCCN1C[C@@](C)(CBr)C(C)(C)C 2380206190 NYMFZZOSZIBQFD-DNVCBOLYSA-N 455.428 5.448 50 10 JKGE Clc1ccc(I)cc1CC1(CBr)CC2(C1)CC21CCC1 2380517982 WCURLPOHOCZVBJ-UHFFFAOYSA-N 465.600 6.223 50 10 JKGE CC(=C/c1ccc(C(C)C)cc1)/C=N/NC(=O)c1ccn(Cc2cccc(Br)c2)n1 12401710 LWIVVOLFGDOGNQ-ZKCKBCQTSA-N 465.395 5.636 50 10 JKGE CC(C)(C)c1ccc(C(=O)Nc2ccc(C(=O)N/N=C/c3c(Cl)cccc3Cl)cc2)cc1 12491858 LQCMGEXEAVLFJL-RWPZCVJISA-N 468.384 6.307 50 10 JKGE Cc1ccc(N2C(=O)[C@@H](Cc3ccc(F)cc3)S/C2=C(\C#N)C(=O)Nc2ccc(Cl)cc2)cc1 16739795 FWRNHZYVDYRWPT-QPQMVVSWSA-N 491.975 5.853 50 10 JKGE COc1cccc2cc(-c3nn(-c4ccccc4)cc3/C=C(\C#N)c3nc4ccccc4s3)oc12 33515858 GDSTURYEUKLHMK-XMHGGMMESA-N 474.545 6.968 50 10 JKGE COc1cc([N+](=O)[O-])ccc1NC(=O)/C(C#N)=C\c1ccccc1OC(=O)c1cccc2ccccc12 33693129 JPJPSBLWMKUSSR-HKWRFOASSA-N 493.475 5.521 50 10 JKGE Cc1cc([N+](=O)[O-])ccc1NC(=O)/C(C#N)=C\c1ccc(OC(=O)c2ccc(Cl)c(Cl)c2)cc1 33930009 BBOUJINFBJSWAR-BOPFTXTBSA-N 496.306 5.975 50 10 JKGE C=CCOc1cccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4ccccc4OCC)ccc32)c1 38684610 VTVZTVKBRSBBTF-SANMLTNESA-N 468.509 5.087 50 10 JKGE C=CCOc1cccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4ccc(OCC(C)C)cc4)ccc32)c1 40529875 CDXXBXHHISKQNX-NDEPHWFRSA-N 496.563 5.724 50 10 JKGE CCCCCCOc1ccc(/C=C(\C#N)C(=O)Nc2nc3ccc([N+](=O)[O-])cc3s2)cc1OC 40859457 RZAFDROKFONFJK-SFQUDFHCSA-N 480.546 5.718 50 10 JKGE CCCCCCOc1ccc(/C=N/NC(=O)CSc2nc(-c3ccc(Cl)cc3)cs2)cc1 40924844 JCRLMGLQEGICNG-CVKSISIWSA-N 488.078 6.665 50 10 JKGE CC(C)(C)c1ccc(OCCCC(=O)N/N=C/c2c[nH]c3ccccc23)c(Br)c1 40959266 HHLKOAMFJROFQT-CVKSISIWSA-N 456.384 5.537 50 10 JKGE CCOc1cc(/C=C(\C#N)C(=O)NCc2ccccc2)ccc1OCc1ccc(Br)cc1 59297220 ZDNRXXCKHPARAO-HYARGMPZSA-N 491.385 5.650 50 10 JKGE O=C(COc1ccc(Cl)cc1)N/N=C\c1ccc(Sc2cccc3cccnc23)c([N+](=O)[O-])c1 59392017 WQMANXCYAWTDCP-VYYCAZPPSA-N 492.944 5.477 50 10 JKGE CC(=O)[C@H](Br)[C@H](C)c1c(Br)cc(Br)cc1Br 84398447 NNJGNZCWQCGPMD-BLTYZCFWSA-N 477.816 5.430 50 10 JKGE CC(C)(C)c1ccc(C(=O)Nc2ccc(C(=O)NNC(=O)c3cccc(Br)c3)cc2)cc1 100446242 JXIQQLSBUKBRSG-UHFFFAOYSA-N 494.389 5.074 50 10 JKGE N#C/C(=C/Nc1cc(Cl)cc(Cl)c1)c1nc(-c2cc3c(ccc4ccccc43)oc2=O)cs1 102407199 RBKDDOVNKYAJFY-QINSGFPZSA-N 490.371 7.353 50 10 JKGE CCOC(=O)c1c(N/C=C(\C#N)c2nc(-c3ccc(C)c(C)c3)cs2)sc(C(C)=O)c1C 103641017 DKEPUDYUVRHBBF-WOJGMQOQSA-N 465.600 6.153 50 10 JKGE Cc1cccc(CC(CBr)(CBr)c2ccccc2Br)c1 118879004 KJQYPMCJVWZSRM-UHFFFAOYSA-N 461.035 6.028 50 10 JKGE COc1c(C)cc(Br)c(C)c1[C@H](Br)c1cc(C)c(Br)s1 125694667 PQKYQCRGECOOEC-CYBMUJFWSA-N 483.063 6.691 50 10 JKGE Cc1cc(Br)c([C@H](Br)[C@@H]2CCOc3ccccc32)cc1Br 128805646 HKUITGRQGNEQCB-SJKOYZFVSA-N 475.018 6.522 50 10 JKGE Fc1cccc(CC(CCl)(CCl)c2ccc(Br)cc2)c1Br 157922127 PDZWFWONFOCYEF-UHFFFAOYSA-N 454.992 6.309 50 10 JKGE Clc1cc(Br)ccc1C[C@@H](CBr)c1ccccc1Br 168958097 IIMOOMCOXFWFSO-NSHDSACASA-N 467.426 6.586 50 10 JKGE CCOc1cc(/C=C(/C#N)c2nc(-c3ccccc3)cs2)cc(Br)c1OCC 169939522 XNEDIFRQLJJVDG-YVLHZVERSA-N 455.377 6.434 50 10 JKGE N#CC(C#N)=C(C#N)c1ccc(/C=C/c2ccc(N(c3ccccc3)c3ccccc3)cc2)s1 205316052 OWZNKJCKQYFHGR-DTQAZKPQSA-N 454.558 7.713 50 10 JKGE CCCCOc1ccccc1[C@H]1C(C#N)=C(N)Oc2cc(OC(=O)/C=C\c3ccc(C)cc3)ccc21 205655570 QZZYBNJDCRRIBH-OKWNXBCBSA-N 480.564 6.011 50 10 JKGE CCCCCOc1ccc(/C=C/C(=O)Oc2ccc(/C=C(/C#N)c3ccccc3)cc2OC)cc1OC 206218436 FYSGFGXEPUYGKW-CNZVOFPNSA-N 497.591 6.956 50 10 JKGE COC(=O)/C(C#N)=C\c1ccc(OC(=O)COc2ccc(C(C)(C)c3ccccc3)cc2)c(OC)c1 206253742 XRHWWAHNRCDIHZ-PGMHBOJBSA-N 485.536 5.085 50 10 JKGE CCCN1C(=O)C(C#N)=C(C)/C(=C/c2cn(-c3ccccc3)nc2-c2ccc(OC(C)C)cc2C)C1=O 214220240 TXHJQQVUGHPZLO-QQXSKIMKSA-N 494.595 5.637 50 10 JKGE N#C/C(=C/NCc1ccccc1Br)C(=O)Nc1ccccc1Sc1ccccc1 217244008 IFOBICJYALDVNA-VLGSPTGOSA-N 464.388 5.736 50 10 JKGE COc1cc(F)c(Br)cc1[C@@H](Cl)c1ccc(I)cc1 234879864 LXOFYCFZYMQSHI-AWEZNQCLSA-N 455.492 5.530 50 10 JKGE COc1cc(F)c(Br)cc1[C@H](Br)c1ccccc1Br 234916155 HKNRBJAAHSJSON-CQSZACIVSA-N 452.943 5.844 50 10 JKGE COc1c(C)cc([C@H](Br)c2cc(Cl)ccc2I)cc1C 234926318 WIPFTULNSIOQRB-HNNXBMFYSA-N 465.556 6.054 50 10 JKGE Clc1cc([C@@H](Br)c2csc3c(Br)cccc23)c(Cl)s1 236074710 YIKRWKQQBXDQDG-LLVKDONJSA-N 457.039 7.516 50 10 JKGE COc1ccc(C=NNC(=O)c2ccoc2C)cc1COc1cc(C)c(Cl)cc1C(C)C 252613143 IYXDCLNAQMVNKF-UHFFFAOYSA-N 454.954 6.025 50 10 JKGE O=C(CNc1ccc(F)cc1)NN=Cc1c(-c2ccccc2)n(-c2ccccc2)c2ccccc12 254857568 DUASTXKBLXZDAF-UHFFFAOYSA-N 462.528 5.999 50 10 JKGE C[C@H]1C[C@@H](C)C[C@H](Oc2c(Br)cc(CBr)cc2Br)C1 300441851 SKKMKPBNWJJIQX-IAZYJMLFSA-N 455.028 6.310 50 10 JKGE Cc1cc(Br)c([C@H](Br)c2ccc(F)c(Br)c2)cc1Cl 311818320 HSOAUORUAGIYAJ-CQSZACIVSA-N 471.389 6.797 50 10 JKGE ClCc1nc2cc(Cl)ccc2n1-c1ccc(I)c(Br)c1 312612266 QFXWRACOYSPLDR-UHFFFAOYSA-N 481.946 5.785 50 10 JKGE CC(C)(C)OC(=O)N1C[C@@H](CBr)[C@H](c2cc(Br)ccc2Br)C1 382694798 SRDAFIPISHPLEN-ZWNOBZJWSA-N 498.053 5.557 50 10 JKGE CC(C)[Si](OC[C@@H](C)[C@H]1CC[C@H]2[C@H]3CC=C4C[C@@H](O)CC[C@]4(C)[C@@H]3CC[C@@]21C)(C(C)C)C(C)C 605697110 GWSKDKFALUWOQA-PEOHQYDWSA-N 488.873 8.755 50 10 JKGE in-vitro Fc1cccc(COc2cccc(Br)c2CBr)c1Br 706818791 YOTSNAUAKMCMSO-UHFFFAOYSA-N 452.943 5.825 50 10 JKGE C=CCOc1c(Br)cc(/C=C(/C#N)C(=O)Nc2cc(C)ccc2C)cc1Br 725388932 QADWTDXZHOWDKC-SXGWCWSVSA-N 490.195 5.939 50 10 JKGE CC(=NNC(=O)c1ccc(CSc2ccc(Cl)cc2)cc1)c1ccc([S@](=N)(=O)O)cc1 915902267 AZEZHJYNQMPDEH-UHFFFAOYSA-N 474.007 5.665 50 10 JKGE O=C(NN=Cc1ccc(Br)cc1)c1ccc(OCc2ccc(Br)cc2)cc1 1081086735 BGSIJZVCTXNHPW-UHFFFAOYSA-N 488.179 5.555 50 10 JKGE N#C/C(=C\c1ccccc1OCc1ccc(C(=O)O)cc1)C(=O)Nc1cccc(Cl)c1Cl 1084154681 IRMMRIKOOMCMJY-LDADJPATSA-N 467.308 5.816 50 10 JKGE CCOc1ccc([C@@H](O)CCC(=O)NN=Cc2cc(C)n(-c3cccc4ccccc34)c2C)cc1 1084166381 XGKJZWTZSRVYLM-NDEPHWFRSA-N 469.585 5.610 50 10 JKGE CCOc1cc(C=NNC(=O)CSCc2cc(C)cc(C)c2)ccc1OCc1cccc(Cl)c1 1084212225 SZFWJYSZWISCMX-UHFFFAOYSA-N 497.060 6.318 50 10 JKGE CCCN(CCC)c1ccc(C(=O)NN=Cc2c(C)nn(Cc3ccccc3Cl)c2C)cc1 1084421710 AXFMIJNXLRWCDQ-UHFFFAOYSA-N 466.029 5.592 50 10 JKGE COc1cc(C=NNC(=O)CCSc2ccc(Cl)cc2)ccc1OCc1ccccc1 1084438385 TXDHRYGPMJWZON-UHFFFAOYSA-N 454.979 5.560 50 10 JKGE O=C(NN=Cc1ccc(-c2ccc(Cl)c(Cl)c2)o1)C(=O)Nc1ccc(Oc2ccccc2)cc1 1084559297 KZVNJDVOKDIMOL-UHFFFAOYSA-N 494.334 6.135 50 10 JKGE Cc1ccc(COc2c(Cl)cc(C=NNC(=O)CC[C@H](O)c3ccccc3)cc2Cl)cc1 1084590572 DVJZICZXKUUACF-QHCPKHFHSA-N 471.384 5.845 50 10 JKGE N#Cc1ccc(Cn2cc(C=NNC(=O)c3ccccc3Br)c3ccccc32)cc1 1084598219 ZTIWQWLLHPGGAT-UHFFFAOYSA-N 457.331 5.088 50 10 JKGE O=C(CSCc1cccc(Br)c1)NN=Cc1ccc(Oc2ccccc2)cc1 1084611718 HSYFPZQJEWHPGX-UHFFFAOYSA-N 455.377 5.625 50 10 JKGE N#CSc1ccc(NC(=O)Oc2cccc3c(NC(=O)c4ccnc(Cl)c4)cccc23)cc1 1858779242 CWGUOUKTZQLAQE-UHFFFAOYSA-N 474.929 6.325 50 10 JKGE CCc1cccc(OCC(=O)NCc2ccc(OC(=O)Nc3ccc(SC#N)cc3)cc2)c1 1858903046 SUAZEBOTNFGASL-UHFFFAOYSA-N 461.543 5.128 50 10 JKGE COc1ccc(-c2nn(-c3cccc(Cl)c3)c3c2[C@@H](c2ccc(C(C)C)cc2)C(C#N)=C(N)O3)cc1 1865686600 YEHJBAQBUJDUEU-VWLOTQADSA-N 496.998 6.543 50 10 JKGE CCCc1nn(Cc2ccc(Cl)c(Cl)c2)c2c1[C@@H](c1cccc(OC)c1OC)C(C#N)=C(N)O2 1865701098 LUXFJTUOITYEHG-NRFANRHFSA-N 499.398 5.426 50 10 JKGE Cc1ccc(Cn2nc(-c3ccccc3)c3c2OC(N)=C(C#N)[C@H]3c2ccc(F)cc2F)cc1 1865701818 GFJMHGCJPBILTP-HSZRJFAPSA-N 454.480 5.403 50 10 JKGE CCOc1cc(OCC)cc(C(=O)NNC(=O)c2ccc(-c3ccc(Cl)cc3Cl)nc2C)c1 1865759571 HIDZTDPEKUPEKW-UHFFFAOYSA-N 488.371 5.236 50 10 JKGE CCOC(=O)c1c(-c2ccc3c(c2)CCCC3)csc1NC(=O)/C(C#N)=C/c1cccc(Cl)c1 1866129744 IZKYGOVUIOPAJA-CIAFOILYSA-N 491.012 6.670 50 10 JKGE COCCOc1ccc(/C=C(\C#N)C(=O)Nc2nc(-c3ccc(Br)cc3)cs2)cc1 1866215077 AMCVYGHOMKDQCD-SFQUDFHCSA-N 484.375 5.143 50 10 JKGE N#CSc1ccc(NC(=O)[C@H](Cc2ccc(F)cc2)NC(=O)CCc2c[nH]c3ccccc23)cc1 1866573381 VZVUWQOSGFYLCA-VWLOTQADSA-N 486.572 5.179 50 10 JKGE CC[C@@H](NC(=O)C[C@H](c1ccc(F)cc1)c1cccc(F)c1)C(=O)Nc1ccc(SC#N)cc1 1866780222 IJEOGPLFNVDRSW-DNQXCXABSA-N 479.552 5.593 50 10 JKGE C[C@H](CC(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)Nc1ccc(SC#N)cc1)c1cccc(Cl)c1 1867173310 BVVBFSAZXCPERF-OSPHWJPCSA-N 494.016 5.479 50 10 JKGE CC[C@@H]1Cc2cc(OC)ccc2N(c2cc(Nc3ccc(SC#N)cc3)nc(-c3cccnc3)n2)C1 1868565751 NINIRKYVEDHYSU-LJQANCHMSA-N 494.624 6.584 50 10 JKGE COc1ccc(OC)c(-c2c(C)c3ccc(OCc4cccc(CCl)c4)cc3oc2=O)c1 1871436914 BYXIPKUIBZFNAO-UHFFFAOYSA-N 450.918 6.103 50 10 JKGE C[C@H](c1ccccc1)N1C[C@H](/C(O)=C(\C#N)c2nc(-c3cccc(Br)c3)cs2)CC1=O 1872745959 LKRSHEORUYBXJV-AXHJZAJQSA-N 494.414 5.975 50 10 JKGE N#C/C(=C(O)\C=C\c1ccc(Cl)c(Cl)c1)c1nc(-c2ccc(Br)cc2)cs1 1872746548 MWZZISDHVOHVSO-HFMPMGQNSA-N 478.198 7.385 50 10 JKGE COc1cc(Cl)c(C)cc1-c1csc(/C(C#N)=C(\O)CCCOc2ccc3ccccc3c2)n1 1872756930 ICGYBGHLBRSRBH-LVWGJNHUSA-N 491.012 7.586 50 10 JKGE CCCCCCCOc1ccc(-c2csc(/C(C#N)=C/c3ccc(OC)cc3OC)n2)cc1 1872791962 XMTSCUPNSJOEGD-CJLVFECKSA-N 462.615 7.241 50 10 JKGE CCCOc1c(Br)cc(Br)cc1C=C(CBr)C(C)C 1880337819 KMIVYFAPLOHZFZ-UHFFFAOYSA-N 455.028 6.435 50 10 JKGE Fc1cc(Br)c2nc(CCCl)n(C3CCN(Cc4ccccc4)CC3)c2c1 1912686709 CDYCIMQKHRNUOH-UHFFFAOYSA-N 450.783 5.556 50 10 JKGE C[C@@H](Br)CN(Cc1ccccc1)Cc1cc(C(F)(F)F)cc(C(F)(F)F)c1 1914656397 HEORDEQBLQSCRA-CYBMUJFWSA-N 454.252 6.510 50 10 JKGE C[C@H](CCBr)N(Cc1ccccc1)C(=O)c1c(F)cc(Br)cc1F 1915082940 SSIDVIJDCROZJJ-GFCCVEGCSA-N 461.144 5.543 50 10 JKGE C[C@@H](CCBr)N(Cc1ccccc1)S(=O)(=O)c1cc(Cl)cc(Cl)c1 1915094851 OBXSFSBTRJQIEW-ZDUSSCGKSA-N 451.213 5.358 50 10 JKGE Fc1ccc([C@H](Br)c2sc(Br)cc2Br)cc1C(F)(F)F 1922894427 ZSZRXWLDWHAVEV-JTQLQIEISA-N 496.943 6.915 50 10 JKGE Brc1cc(Br)c([C@@H](Br)c2ccc3c(c2)COC3)s1 1922939662 IURFMTMWOQSPSH-LBPRGKRZSA-N 452.993 5.788 50 10 JKGE Brc1cc(Br)c([C@@H](Br)c2ccc3ccccc3c2)s1 1922953205 ARQIONAFTDTDPU-AWEZNQCLSA-N 461.016 6.911 50 10 JKGE Clc1c(Br)sc(Br)c1[C@H](Br)[C@@H]1C[C@H]2O[C@H]1[C@@H]1C[C@@H]21 1923066959 XCOQKHFYBYKKKC-CJLIGHCDSA-N 477.443 5.786 50 10 JKGE C[C@@H]1CCC[C@H]1[C@H](Br)c1c(Br)sc(Br)c1Cl 1923068716 VMVZHJHBEINXLX-JKMUOGBPSA-N 451.449 6.799 50 10 JKGE C[C@H](c1ccncc1Br)[C@@H](Cl)c1cc(Br)c(Br)s1 1924036365 NLNDNFTWDPAOQQ-KSBSHMNSSA-N 474.443 6.514 50 10 JKGE Cl[C@@H](c1c(Br)sc(Br)c1Br)C1CC(C2CC2)C1 1924613580 JZGBJKPLYUZTTF-HNQUHTCLSA-N 463.460 6.752 50 10 JKGE Cc1csc([C@H](Br)c2cc(Cl)c(Br)s2)c1Br 1939883912 QFYOVCKIRBLDTE-MRVPVSSYSA-N 465.457 6.781 50 10 JKGE Brc1ccc([C@@H](Br)c2c(Br)cccc2Br)cc1 1945321864 JCRSCRJTGRMNKO-CYBMUJFWSA-N 483.823 6.458 50 10 JKGE Brc1sc([C@@H](Br)c2ccsc2Br)cc1C1CC1 1945797939 CUJMEYFUHCCPND-JTQLQIEISA-N 457.050 6.696 50 10 JKGE Cc1sc([C@H](Br)c2c(Br)sc(C)c2C)cc1Br 1951015209 WNIGOKFMRVQKHI-NSHDSACASA-N 459.066 6.744 50 10 JKGE CC(C)(F)[C@](C)(F)[C@H](Br)c1c(Br)sc(Br)c1Cl 2003231967 MIQYRJCDWPMFPH-LHLIQPBNSA-N 475.418 6.839 50 10 JKGE COCc1cc(Br)c([C@H](Cl)c2csc(Br)c2Br)s1 2032958811 MNQSLRKUYYRYBR-SECBINFHSA-N 495.483 6.572 50 10 JKGE COc1sc([C@H](Br)c2ccc(C)c(Br)c2)cc1Br 2034628031 BFBWNPJNGKOGNS-GFCCVEGCSA-N 455.009 6.074 50 10 JKGE Cl[C@@H](c1cscc1OCc1ccccc1)c1cc(I)cc2c1OCC2 2038685565 DRBMCQFAIJMARY-LJQANCHMSA-N 482.770 6.195 50 10 JKGE CCn1cc(Br)c([C@@H](Cl)c2cc(Br)ccc2Br)n1 2060854804 ZEGQPPGAQRVRCC-NSHDSACASA-N 457.391 5.519 50 10 JKGE Cc1nn(C)c([C@@H](Br)c2c(Cl)sc(Br)c2Cl)c1Br 2072302750 OFVYHCVPXMYKLQ-LURJTMIESA-N 497.865 6.106 50 10 JKGE FC(F)(F)[C@H]1CN(Cc2ccccc2)C[C@H]1n1c(Cl)nc(Cl)c1CBr 2072950796 HXQVOTAYCDIXIF-WCQYABFASA-N 457.121 5.320 50 10 JKGE CC(C)[C@@H]1CC[C@H](Br)[C@@H](Cc2c(Br)cccc2Br)C1 2094092630 IBMHXQKWMKEGMU-BZPMIXESSA-N 453.056 6.590 50 10 JKGE C[C@]12CN(Cc3ccccc3)C[C@H]1CN(c1c(CCl)ccc(Br)c1Cl)C2 2098114981 XKIROBNJFJYROB-LAUBAEHRSA-N 454.239 5.800 50 10 JKGE CC1([C@@H](Br)c2c(Br)sc(Br)c2Cl)CCCCCCC1 2116023413 SBJCLCDHFFPBSD-NSHDSACASA-N 493.530 8.113 50 10 JKGE Brc1ccc(Br)c(CC[C@H](Br)CN2CCCCC2)c1 2118524828 NNAFJNSNKRIQSZ-AWEZNQCLSA-N 454.044 5.394 50 10 JKGE Clc1c(Br)sc(Br)c1[C@@H](Br)C1C2(CCC2)C12CCC2 2139148745 TYNSPHMWWTVFHW-MRVPVSSYSA-N 489.498 7.333 50 10 JKGE Fc1cc(Cl)c([C@@H](Br)c2ccc(Br)cc2Br)cc1Cl 2139427184 VKCGFFQNXQRPGK-ZDUSSCGKSA-N 491.807 7.142 50 10 JKGE Br[C@@H](c1csc(I)c1)c1ccc(-c2ccccc2)s1 2141207034 QGMXUDBREJZZKK-HNNXBMFYSA-N 461.187 6.566 50 10 JKGE O=C(c1cc(Br)c(Br)s1)N1CCCC[C@H]1CCCBr 2141717545 RDGAXVIDKBGLKW-VIFPVBQESA-N 474.056 5.443 50 10 JKGE C[C@H]1Cc2cc(Br)cc([C@@H](Br)c3cc(Cl)c(Cl)s3)c2O1 2156056622 YNLXFBJNUKNRFU-PWCHPLFNSA-N 457.014 6.625 50 10 JKGE COc1cc(Br)ccc1Oc1cc(Br)cc(F)c1CBr 2170690330 BVWIQJIKRFVIFW-UHFFFAOYSA-N 468.942 6.047 50 10 JKGE Cc1cc(Br)c(CBr)c(N2CCO[C@H]3CCN(Cc4ccccc4)C[C@H]32)c1 2173450397 LNIRAOYAJGMFHH-YADHBBJMSA-N 494.271 5.132 50 10 JKGE Brc1cccc(Br)c1O[C@@H]1C[C@H](Br)[C@@]12CCCC21CC1 2173658915 LOJDFSKPHOICSK-ZENOOKHLSA-N 465.023 6.077 50 10 JKGE FC1(F)C[C@H](n2c(CCl)nc3cncc(Br)c32)CN(Cc2ccccc2)C1 2184260161 IBNINHTYVDJWEZ-AWEZNQCLSA-N 455.734 5.015 50 10 JKGE Cc1ccc([C@H](Cl)c2c(C)c(Br)cc(C)c2Br)cc1Br 2201079507 STPBLUHWAFMXRP-INIZCTEOSA-N 481.453 7.228 50 10 JKGE Brc1ccc([C@@H](Br)c2ccc3c(c2)COCC3)c(Br)c1 2203689712 BDKNUKBBNIRUEH-INIZCTEOSA-N 460.991 5.769 50 10 JKGE Fc1ccc(I)cc1[C@H](Br)c1ccc(-c2cccs2)s1 2205863780 XASJFKYQLMKNRN-HNNXBMFYSA-N 479.177 6.705 50 10 JKGE CC1(C)CO[C@H]([C@@H](Br)c2c(Br)cc(Cl)c(Cl)c2Cl)C1 2224303778 BNBCVYNHEAGQJE-WCBMZHEXSA-N 451.413 6.660 50 10 JKGE C[C@H](CC(C)(C)C)[C@H](Br)c1c(Br)cc(Cl)c(Cl)c1Cl 2224317638 PMHRLRXCJSHACI-HQJQHLMTSA-N 451.457 7.918 50 10 JKGE Cc1cc(Br)c([C@H](Br)[C@@H]2C[C@H]2C(F)(F)F)c(C)c1Br 2227348495 NYQVTQDISSQBGN-DNSOKLHBSA-N 464.945 6.463 50 10 JKGE Cc1cc(Br)c([C@H](Br)[C@@H](C)CC(C)(C)C)c(C)c1Br 2227360187 PQANPRVPJJEPIW-ZUZCIYMTSA-N 455.072 7.337 50 10 JKGE BrC[C@@H]1C[C@H]2CCCC[C@@H]2N1c1ncc(Br)cc1Br 2231989546 FPISXUCFSUGKQX-CDMKHQONSA-N 453.016 5.139 50 10 JKGE FC(F)(F)CC1([C@H](Br)c2c(Br)cc(Cl)c(Cl)c2Cl)CC1 2232512378 NSWYGXNFLAQBRM-SNVBAGLBSA-N 475.357 7.578 50 10 JKGE CCCCCc1ccc([C@H](Br)c2ccc(C)c(I)c2)s1 2232837570 VGYGAMNFVKAXSV-QGZVFWFLSA-N 463.222 6.878 50 10 JKGE Cc1cc(Br)c([C@@H](Br)C2C[C@H]3CC[C@H](C2)C3)c(C)c1Br 2235616005 XHCSGBXEYVBLNA-PRXAMGSTSA-N 465.067 7.091 50 10 JKGE O=C(c1scc(Br)c1Br)N1[C@H](CBr)C[C@@H]2CCCC[C@@H]21 2240728783 NHXSJLOLXXOWGQ-QXEWZRGKSA-N 486.067 5.441 50 10 JKGE CCc1cc([C@@H](Br)c2sccc2I)sc1Br 2243466040 AGDWWKXHWVXHPJ-SECBINFHSA-N 492.039 6.223 50 10 JKGE CCc1cc([C@H](Cl)c2cc(C)ccc2I)sc1Br 2256053041 LXSDKVIDFWUZIL-CYBMUJFWSA-N 455.586 6.314 50 10 JKGE COc1ccc([C@@H](Cl)c2cc(C)sc2Br)cc1I 2257354708 MNTPYOSWGBZEKK-GFCCVEGCSA-N 457.558 5.760 50 10 JKGE CN(Cc1ccc(I)cc1)c1ccc(CCl)c(Br)c1 2265606022 WSRYBVSVWOEDKQ-UHFFFAOYSA-N 450.545 5.429 50 10 JKGE C[C@H](c1ccncc1Br)[C@H](Cl)c1ccc(Cl)c(I)c1 2268270589 RMBVXIMIFUENHW-CLAHSXSESA-N 470.963 6.186 50 10 JKGE C=CC[C@@]1(CBr)CCN(C(=O)c2cc(Br)sc2Br)C1 2272141471 QLYCISDJMTWZGA-ZDUSSCGKSA-N 472.040 5.076 50 10 JKGE Brc1cc(Br)cc(C[C@@H](Br)c2csc3cncn23)c1 2277952938 LQDVVRHZDZMDPK-LLVKDONJSA-N 465.008 5.600 50 10 JKGE FC(F)(F)[C@@H]1C[C@H]1C[C@@H](Br)Cc1cc(Br)cc(Br)c1 2277957562 VOHUYUYUHBPXJG-VDDIYKPWSA-N 464.945 6.106 50 10 JKGE Brc1cc(Br)cc(C[C@H](Br)C[C@@H]2C[C@H]3CC[C@H]2C3)c1 2277960173 FIUCLRQMWMHRPH-PYJNHQTQSA-N 451.040 6.344 50 10 JKGE Cc1cccc(Br)c1[C@@H](Br)c1cc2sc(Br)cc2s1 2278021477 MZHJESNXHOCSAR-AWEZNQCLSA-N 481.072 7.281 50 10 JKGE Fc1cccc(I)c1[C@@H](Cl)c1cc2c(cc1Br)OCC2 2282892196 BBUBRXOCCFAFHX-HNNXBMFYSA-N 467.503 5.456 50 10 JKGE COc1c(C(C)C)cc(Br)cc1[C@@H](Br)c1cc(Br)co1 2285994356 WYYCNQJDFZKIBC-CQSZACIVSA-N 466.995 6.421 50 10 JKGE COc1ccc(Br)c2c1nc([C@@H](C)Cl)n2C(C)(C)COCc1ccccc1 2286083638 AAQMFVOERGKFCR-CQSZACIVSA-N 451.792 6.059 50 10 JKGE Fc1cc(Br)c(F)c(Br)c1[C@@H](Br)C[C@@H]1CCCC12CC2 2288488776 MGLHALHAQBRJND-IUCAKERBSA-N 472.993 6.896 50 10 JKGE COC(=O)c1cc(-c2ccccc2)sc1NC(=O)C(C#N)=Cc1c(C)nn(-c2ccccc2)c1C 2295669910 JXTWNRNQWWITLN-UHFFFAOYSA-N 482.565 5.550 50 10 JKGE Cc1ccc(NC(=O)C(C#N)=C2S[C@@H](Cc3ccccc3)C(=O)N2c2ccccc2)c(C)c1 2296506831 HBQIUDGNONIJFV-DEOSSOPVSA-N 453.567 5.368 50 10 JKGE COc1ccc(-c2nn(-c3ccccc3)cc2C=C(C#N)c2nc3ccccc3n2C)cc1[N+](=O)[O-] 2296715303 JQQACOYTGOBOEI-UHFFFAOYSA-N 476.496 5.407 50 10 JKGE N#CC(=CNc1ccc([N+](=O)[O-])cc1)c1nc(-c2cc3cc(Br)ccc3oc2=O)cs1 2296751281 IXNJWCDXMRPDCC-UHFFFAOYSA-N 495.314 5.564 50 10 JKGE COc1cc(C=C(C#N)c2ccc(C(=O)O)cc2)cc(Br)c1OCc1ccccc1C#N 2297379256 CCJOJOCFGUBUPQ-UHFFFAOYSA-N 489.325 5.671 50 10 JKGE CCCC1([C@@H](Br)c2ccc(OCc3ccccc3)cc2Br)CCC1 2299494118 IHEZSCZOWQQRME-FQEVSTJZSA-N 452.230 7.435 50 10 JKGE Brc1cc(OCc2ccccc2)ccc1[C@@H](Br)[C@@H]1C[C@H]1C1CCC1 2299534237 BIIVAQMEUOWKMY-QKNQBKEWSA-N 450.214 6.900 50 10 JKGE C[C@]1(C(F)(F)F)C[C@H]1[C@@H](Br)c1sc(Cl)cc1I 2300957855 UIGWSTBCARQHLP-QTLDAMRXSA-N 459.496 6.031 50 10 JKGE CCOc1cc(C=C(C#N)C(=O)N2CCN(c3ccccc3)CC2)ccc1OCc1cccc(F)c1 2313565371 ZIXUTHLAXBPIHP-UHFFFAOYSA-N 485.559 5.059 50 10 JKGE Cc1cccc(NC(=O)C(C#N)=Cc2cc(C)n(-c3ccc(N4CCOCC4)cc3)c2C)c1C 2313624631 YYSBCRZNQGPBGP-UHFFFAOYSA-N 454.574 5.093 50 10 JKGE N#CC(=Cc1cn(Cc2ccccc2Cl)c2ccccc12)C(=O)Nc1ccc(Cl)c(Cl)c1 2313631393 POLOETIVQDJSQJ-UHFFFAOYSA-N 480.782 7.195 50 10 JKGE Cc1cccc(Br)c1[C@H](Cl)c1ccc(OCc2ccccc2)cc1Br 2314452566 OLGKUIJQDIBTLX-OAQYLSRUSA-N 480.627 7.427 50 10 JKGE N#CC(=C(O)c1ccc(-c2cccc([N+](=O)[O-])c2)o1)c1nc(-c2ccc3ccccc3c2)cs1 2314457518 NXPCGWOEONHJSD-UHFFFAOYSA-N 465.490 7.081 50 10 JKGE N#CC(=Cc1ccc(-c2c(Cl)cccc2Cl)o1)C(=O)Nc1sc2c(c1C#N)CCCC2 2314487655 HAUVDBULUJDANW-UHFFFAOYSA-N 468.365 6.611 50 10 JKGE Brc1ccc(OCc2ccccc2)c([C@@H](Br)c2cc3cscc3s2)c1 2314494925 MQTAZJXAQCZPIA-HXUWFJFHSA-N 494.273 7.789 50 10 JKGE Fc1cccc(C[C@@H](Br)c2ccc(OCc3ccccc3)cc2Br)c1 2314501418 XLTDUETZLWGRIT-HXUWFJFHSA-N 464.172 6.846 50 10 JKGE COc1ccccc1NC(=O)C(C#N)=Cc1c(Oc2ccc(Cl)c(C)c2)nc2ccccn2c1=O 2314531881 FLUUNPDJRYIHFB-UHFFFAOYSA-N 486.915 5.003 50 10 JKGE Cc1cc(C)c(C)c([C@@H](Br)c2sc(Cl)cc2I)c1 2316596893 KXXWJUGWWUWGOV-CYBMUJFWSA-N 455.586 6.416 50 10 JKGE Brc1cc(CC[C@@H](Br)C[C@@H]2CCCO2)ccc1I 2325224503 XVJPJDCNSVUJNH-NEPJUHHUSA-N 488.001 5.319 50 10 JKGE COc1ccc([C@@H](C)NC=C(C#N)C(=O)Nc2ccccc2Sc2ccccc2)cc1OC 2325336240 WJJPZYRGVAIJGC-GOSISDBHSA-N 459.571 5.552 50 10 JKGE N#CC(=CNc1ccccc1Sc1ccccc1)C(=O)Nc1ccc(Cl)c(C(F)(F)F)c1 2325382851 NFYDTQRBSMZNJL-UHFFFAOYSA-N 473.907 6.968 50 10 JKGE CC(=Cc1ccccc1Cl)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)Nc1ccc(SC#N)cc1 2330468384 VQSDCGYNOWNBGT-DEOSSOPVSA-N 492.000 5.388 50 10 JKGE CC(C)(C)c1ccc(C(=O)NCC(O)=C(C#N)c2nc(-c3ccc(Cl)c(Cl)c3)cs2)cc1 2331311519 PXANWAUFKKYSRE-UHFFFAOYSA-N 486.424 6.637 50 10 JKGE COc1ccc(OC)c(-c2csc(C(C#N)=C(O)COc3ccc(OC)cc3C(C)(C)C)n2)c1 2331326074 XRHVLUQNNKITHP-UHFFFAOYSA-N 480.586 6.005 50 10 JKGE CCOc1ccc(OCC)c(-c2csc(C(C#N)=C(O)c3cccc(OC(C)=O)c3)n2)c1 2331376159 KEYNKHKBBLZMDH-UHFFFAOYSA-N 450.516 5.483 50 10 JKGE CCCCC1CCC(C(O)=C(C#N)c2nc(-c3cc(OC)c(Cl)cc3OC)cs2)CC1 2331377315 JCTGKKSTNGHYPU-UHFFFAOYSA-N 461.027 7.270 50 10 JKGE Cc1c(Br)ccc([C@@H](Br)[C@@H]2C[C@H]2C2CCCC2)c1Br 2333147006 RLJOEEQQLHUZRP-WOSRLPQWSA-N 451.040 6.782 50 10 JKGE FC1(F)CCC[C@@H]2[C@H]([C@@H](Br)c3cc(Br)ccc3OCc3ccccc3)[C@@H]21 2336038328 MKJRODWKJKCEGF-NMLACTOBSA-N 486.194 7.146 50 10 JKGE Clc1ccc(C[C@H](Cl)c2cc(Br)ccc2OCc2ccccc2)cc1Cl 2336083443 KFXNFIOYQIEHGZ-IBGZPJMESA-N 470.621 7.858 50 10 JKGE Cc1cc(Br)c(F)c(Br)c1[C@H](Br)[C@H]1[C@@H]2CCCO[C@@H]21 2339685631 HXFOYLADFORAST-KQZIVJHOSA-N 456.975 5.520 50 10 JKGE CCC[C@@H]1CC[C@@H](Br)[C@@H](Cc2ccc(Cl)cc2I)C1 2341046899 GFGIJDYVMCLVNL-UXIGCNINSA-N 455.605 6.467 50 10 JKGE Cc1scc([C@@H](Br)c2ccc3c(c2Br)CCO3)c1Br 2343541116 KBGAZTLWCGFZHG-AWEZNQCLSA-N 467.020 6.001 50 10 JKGE COc1cc([C@H](Br)c2c(Br)cc(Cl)c(Cl)c2Cl)sc1Cl 2365841128 TYJAVHUVTKUWFX-VIFPVBQESA-N 499.866 7.617 50 10 JKGE CC(C)[C@@H](Br)C(C)(C)CN(C)Cc1cccc(Br)c1Br 2365990419 GOZCSJSOBREHOR-OAHLLOKOSA-N 470.087 6.089 50 10 JKGE C[C@]1(NC(=O)c2scc(Br)c2Br)C[C@H]2CC[C@H]1C[C@H]2Br 2380896739 LAIFWFCOVBTODT-XULOGPSESA-N 486.067 5.345 50 10 JKGE CC(C)(C)Oc1ccc([C@H](Br)c2coc(Br)c2)cc1Br 2381324236 VLHJGZPLHVEOJI-AWEZNQCLSA-N 466.995 6.466 50 10 JKGE Cc1ccccc1CS/C(Nc1ccc(Br)cc1)=C(\C#N)S(=O)(=O)c1ccccc1 20325307 OEBUIPAJCWQWPH-GHVJWSGMSA-N 499.455 6.269 50 10 JKGE C/C(=N\NC(=O)C=C(Sc1ccccc1)Sc1ccccc1)c1ccc(Br)cc1 21323145 XRHOURLPJFUTKX-KOEQRZSOSA-N 483.456 6.715 50 10 JKGE Cc1sc2ncnc(Nc3ccc(SC#N)cc3)c2c1-c1ccc(Br)cc1 32549560 LBHDWNZCCWXNCA-UHFFFAOYSA-N 453.390 6.746 50 10 JKGE Cc1ccc(-c2nc(/C(C#N)=C\C3=Cc4ccccc4O[C@@H]3C)sc2NC(=O)c2cccs2)cc1 34982875 MZEKOTZECYVQKS-OSVNEOKWSA-N 495.629 7.204 50 10 JKGE CCCCOc1ccccc1[C@@H]1C(C#N)=C(N)Oc2cc(OC(=O)COc3ccc(C)cc3)ccc21 38682733 WXELICKYTLUCNO-NDEPHWFRSA-N 484.552 5.377 50 10 JKGE CCCOc1cccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)[C@@H](C)Oc4ccccc4F)ccc32)c1 38684442 IENOIMBFEJGRDX-WGDIFIGCSA-N 488.515 5.206 50 10 JKGE C=CCOc1cccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4ccc(OCCCC)cc4)ccc32)c1 38684560 PBEPSFQVEDBOFG-MUUNZHRXSA-N 496.563 5.868 50 10 JKGE CCOc1cccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4ccccc4Br)ccc32)c1 38684848 JPEBSPAESFEJLU-QHCPKHFHSA-N 491.341 5.285 50 10 JKGE Cc1ccc(C(=O)N/N=C2\CCCc3oc(C(=O)Nc4cccc5ncccc45)c(C)c32)cc1 40804826 WEMSLNCZVOSSTD-JBASAIQMSA-N 452.514 5.167 50 10 JKGE CCCCCCOc1ccc(/C=C(\C#N)C(=O)Nc2cccc(C(=O)OCCC)c2)cc1OC 40853622 VDBBJWHRWOKRFI-CJLVFECKSA-N 464.562 5.767 50 10 JKGE N#C/C(=C/c1ccc(OCc2ccc(Cl)cc2)cc1)C(=O)Nc1ccc(Cl)c(Cl)c1 59117495 IBHRJISTFYYKHV-BOPFTXTBSA-N 457.744 6.771 50 10 JKGE CCOc1cc(Cl)c(/C=N/NC(=O)c2cc3cc(Br)ccc3o2)cc1OC 59304572 CBBRYQJJADTERI-LSHDLFTRSA-N 451.704 5.020 50 10 JKGE O=C(N/N=C/c1c[nH]c2ccc(Br)cc12)c1cc2cc(Br)ccc2o1 59417789 BDPMCKZDBRNUGR-LSFURLLWSA-N 461.113 5.203 50 10 JKGE CCOc1ccc(-n2c(C)cc(/C=C(/C#N)C(=O)OCc3csc(-c4ccccc4)n3)c2C)cc1 96445777 RDYMBNFWDMXMBS-HAHDFKILSA-N 483.593 6.267 50 10 JKGE CCOC(=O)c1ccc(NC(=O)/C(C#N)=C\c2ccc(-c3ccccc3Br)o2)cc1 97371993 YQUPBEPOHDSONI-SSZFMOIBSA-N 465.303 5.431 50 10 JKGE Cl[C@@H]1C[C@H](Oc2c(Br)cc(Br)cc2Br)C12CCCCC2 97646531 IVVOHPJHBGCBJN-OLZOCXBDSA-N 487.457 6.683 50 10 JKGE Clc1ccc(P(c2ccccc2)c2c(Cl)c(Cl)c(Cl)c3c2O3)c(Cl)c1Cl 100078511 JWTWASWKWDNPSQ-UHFFFAOYSA-N 482.945 7.471 50 10 JKGE CC(C)CCC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC=C4C[C@H](OC(=O)CCCCl)CC[C@]4(C)[C@H]3CC[C@@]21C 118920359 FWOCLQPBUVEXDS-QFJQCLQISA-N 491.200 8.959 50 10 JKGE FC(F)(F)c1ccc(Br)c([C@@H](Br)c2sccc2Br)c1 159847872 XOJOWFXOMREPNX-SNVBAGLBSA-N 478.953 6.776 50 10 JKGE Brc1cccc(CO[C@@H](CI)c2ccccc2Br)c1 162545903 XIFHZOVSEMVXKD-HNNXBMFYSA-N 495.980 5.905 50 10 JKGE Clc1ccc(C[C@@H](Br)c2csc3c(Br)cccc23)cc1Cl 163524657 ZSYPCOOMIDWCHT-CYBMUJFWSA-N 465.037 7.649 50 10 JKGE CCOC(=O)/C(C#N)=C/c1ccc(OC(=O)/C=C\c2ccc(OCc3ccccc3)cc2)c(OC)c1 206269840 ANKYRHYQXVMIKO-QKKSTUIQSA-N 483.520 5.363 50 10 JKGE COc1ccc(-c2nn(-c3ccccc3)cc2/C=C2\C(=O)N(CC(C)C)C(=O)C(C#N)=C2C)c(C)c1 214272323 CXUMLTOUVXZWDZ-QFEZKATASA-N 480.568 5.105 50 10 JKGE COc1ccc(NC(=O)/C(C#N)=C\Nc2ccc(-c3nc4ccc(C)cc4s3)cc2)cc1OC 216739877 QNINMSLXRSPQHF-SDXDJHTJSA-N 470.554 5.747 50 10 JKGE CCOc1ccc(C)cc1[C@@H](C)NC(=O)/C(C#N)=C\Nc1ccccc1Sc1ccccc1 217184177 NYGURJCSROFILS-HWCXCKHPSA-N 457.599 6.242 50 10 JKGE CC(C)Oc1ccc([C@H](Br)c2cc(Cl)ccc2I)cc1 232688476 KUUGVHYMFRNPMN-INIZCTEOSA-N 465.556 6.216 50 10 JKGE Cc1cc(Br)c([C@@H](Cl)c2cc(Cl)cc(Br)c2)cc1Br 235814072 ICXBDKFVMGKBCE-AWEZNQCLSA-N 487.844 7.264 50 10 JKGE Clc1ccc(Br)c([C@@H](Cl)c2cc(Br)ccc2Br)c1 236039116 SWJRMRRRKUBSRK-ZDUSSCGKSA-N 473.817 6.956 50 10 JKGE C=CCc1ccccc1OCC(=O)NN=Cc1c(OCc2ccc(F)cc2)ccc2ccccc12 254499399 XPROGCUVAVASSN-UHFFFAOYSA-N 468.528 5.816 50 10 JKGE Cc1nn(-c2ccccc2)c(C)c1C=NNC(=O)[C@]1(C)CC[C@H](c2nc3ccccc3[nH]2)C1(C)C 254555634 CBYGKVKPYJMJIG-DFHRPNOPSA-N 468.605 5.426 50 10 JKGE CCOc1cc(C=NNC(=O)CSc2nc3ccccc3s2)ccc1OCc1ccccc1 254735135 QYQNGGFXWWZSHW-UHFFFAOYSA-N 477.611 5.516 50 10 JKGE COc1c(C)cc(Br)c(C)c1[C@@H](Cl)c1sccc1I 311410655 IMMVJYSBUVJSEX-GFCCVEGCSA-N 471.585 6.069 50 10 JKGE Fc1ccc(Br)cc1[C@@H]1CN(Cc2ccccc2)C[C@@H]1CI 382695319 UJRXKMQRYSZGOA-WMLDXEAASA-N 474.155 5.239 50 10 JKGE CC(C)(C)OC(=O)N1C[C@H](c2cc(Br)ccc2Cl)[C@@H](CBr)C1 382701789 ZOKQFZFQEXEZTN-GWCFXTLKSA-N 453.602 5.448 50 10 JKGE O=[N+]([O-])c1cccc(Br)c1Oc1cccc(Br)c1CBr 394740241 IIHWKKVKTZOQFY-UHFFFAOYSA-N 465.923 5.807 50 10 JKGE CC(C)(C)OC(=O)Nc1ccc([C@@H]2CCN(CCO[Si](C)(C)C(C)(C)C)c3ccccc32)cc1 616588565 WRZDVMJYJYAYGV-QHCPKHFHSA-N 482.741 7.397 50 10 JKGE CN(C(=O)OC(C)(C)C)c1ccccc1[C@@H]1COCCN(CCO[Si](C)(C)C(C)(C)C)C1 616598054 NUMVJYYTDJKWEY-FQEVSTJZSA-N 464.723 5.496 50 10 JKGE CC(C)(C)[Si](C)(C)OCCc1ccc([C@@H]2CCCN(S(=O)(=O)c3ccccc3)C2)cc1 616609061 LGZBTCNNAHSIFL-HSZRJFAPSA-N 459.728 5.819 50 10 JKGE CC(C)(C)OC(=O)NCCN1CCOC[C@H]1c1cccc(CCO[Si](C)(C)C(C)(C)C)c1 616641286 XPODPAVXGRQCNK-QFIPXVFZSA-N 464.723 5.149 50 10 JKGE CC(C)(C)OC(=O)N1C[C@@H](c2ccc(CCO[Si](C)(C)C(C)(C)C)cc2)Cc2ccccc21 616667764 CRRLGROASBRKDP-DEOSSOPVSA-N 467.726 7.332 50 10 JKGE O=C(NC1(CCBr)CCCCC1)c1ccc(Br)cc1Br 687326864 PVGDVVVXQWWDAX-UHFFFAOYSA-N 468.027 5.429 50 10 JKGE COc1c(C)cc(Br)c(C)c1[C@@H](Br)c1occc1Br 696530660 YCZQVRIJNDEVGC-GFCCVEGCSA-N 452.968 5.914 50 10 JKGE O=C([C@@H](c1cccs1)N(C(=O)CCl)c1cccc(C(F)(F)F)c1)N1CCc2ccccc2C1 725237794 NCMPEHUPHYZRRT-JOCHJYFZSA-N 492.950 5.665 50 10 JKGE COc1cc(C=NNC(=O)c2cccc(Cl)c2)cc(Cl)c1OCc1cccc2ccccc12 1084232462 FBEZKDGJDTWJTE-UHFFFAOYSA-N 479.363 6.498 50 10 JKGE CCCCCCOc1ccc([C@H]2CN(C(=O)OCc3ccccc3)C[C@H]2CBr)cc1 1614613817 BLZXAOPXGCXKRJ-ISKFKSNPSA-N 474.439 6.393 50 10 JKGE Cc1ccc(NC(=O)[C@H](C)Oc2cccnc2NC(=O)Oc2ccc([N+](=O)[O-])cc2F)cc1Cl 1858687646 OHLRARAZMRSFFF-ZDUSSCGKSA-N 488.859 5.108 50 10 JKGE CCOc1cc([C@H]2C(C#N)=C(N)Oc3c2c(CC)nn3-c2ccc(Cl)c(Cl)c2)ccc1O 1865680944 AOQXLPNTMMKQDB-FQEVSTJZSA-N 471.344 5.064 50 10 JKGE COc1ccc(-c2nn(Cc3ccccc3)c3c2[C@H](c2cccc(Cl)c2)C(C#N)=C(N)O3)cc1 1865683352 JQNQFDHKKGTSKR-HSZRJFAPSA-N 468.944 5.479 50 10 JKGE CCCc1nn(CCC)c2c1[C@H](c1ccc(OCc3ccc(C)cc3)c(OC)c1)C(C#N)=C(N)O2 1865695515 PETKRVYLNCZABQ-RUZDIDTESA-N 472.589 5.360 50 10 JKGE COc1ccc(-c2nn(Cc3ccc(F)cc3)c3c2[C@@H](c2cccc(C)c2)C(C#N)=C(N)O3)cc1 1865711222 SREDOTCLZBSXPA-DEOSSOPVSA-N 466.516 5.273 50 10 JKGE COC(=O)c1c(NC(=O)/C(C#N)=C/c2cccc(F)c2)sc(C)c1-c1ccc(Br)cc1 1866131153 GHAUSDMTTCIXHE-MHWRWJLKSA-N 499.361 5.957 50 10 JKGE CCCC[C@@H](NC(=O)C[C@H](c1ccc(Cl)cc1)C(C)C)C(=O)Nc1ccc(SC#N)cc1 1866761713 LRZFTCPHDKNPAN-XZOQPEGZSA-N 472.054 6.357 50 10 JKGE CC[C@H](NC(=O)C[C@@H](c1ccc(OC)c(C)c1)C(C)C)C(=O)Nc1ccc(SC#N)cc1 1866771791 NXWKNJBARLBEHA-YADHBBJMSA-N 453.608 5.240 50 10 JKGE CSCC[C@H](NC(=O)[C@@H](c1ccc(C)cc1)C(C)C)C(=O)Nc1ccc(SC#N)cc1 1866954598 CKCIKDVBNYRKMZ-FCHUYYIVSA-N 455.649 5.184 50 10 JKGE COc1ccc2c(c1)C[C@H](C)CN2c1cc(Nc2ccc(SC#N)cc2)nc(-c2ccccc2C)n1 1868300503 DQZJHYQLNDGDOU-IBGZPJMESA-N 493.636 7.108 50 10 JKGE CCOc1cc(/C=C(\C#N)c2nc3ccccc3n2CC)ccc1OCc1ccccc1Cl 1872730922 LUIMGQREMAENJD-RCCKNPSSSA-N 457.961 6.751 50 10 JKGE CCc1ccc(-c2csc(/C(C#N)=C(\O)CCCOc3ccc(Cl)cc3Cl)n2)cc1 1872744299 LNOPROXNYCNUAX-UZYVYHOESA-N 459.398 7.331 50 10 JKGE CC(C)(C)c1ccc(C(=O)NC/C(O)=C(\C#N)c2nc(-c3ccc(Cl)cc3)cs2)cc1 1872748193 MMSBZOPPAOWAMK-VZCXRCSSSA-N 451.979 5.984 50 10 JKGE CCc1cccc(CC)c1N1C[C@H](/C(O)=C(\C#N)c2nc(-c3cccc4ccccc34)cs2)CC1=O 1872752068 LUOACMJRWZTXMY-YRUIYKTESA-N 493.632 6.934 50 10 JKGE COc1cc(C)c(-c2csc(/C(C#N)=C(\O)CCCOc3ccc(C)cc3)n2)cc1C(C)C 1872753695 JGRLFIKMNVPBPG-BZZOAKBMSA-N 462.615 7.211 50 10 JKGE COc1cc(C)c(-c2csc(/C(C#N)=C(O)/C=C/c3cccc(Cl)c3)n2)cc1C(C)C 1872753982 XDRPEZZIAHJNQD-RYJRFVJXSA-N 450.991 7.410 50 10 JKGE COc1cc(Cl)c(C)cc1-c1csc(/C(C#N)=C(\O)c2ccc3c(c2)C(=O)N(C(C)C)C3=O)n1 1872755376 KRNSEIMRHYQJSW-PYCFMQQDSA-N 493.972 5.735 50 10 JKGE N#C/C(=C\c1ccccc1OCc1ccccc1Cl)c1nc(-c2cccc([N+](=O)[O-])c2)cs1 1872782348 GBICEGOCJVJDIF-UDWIEESQSA-N 473.941 7.015 50 10 JKGE CN(CCN(Cc1ccccc1)c1nccc(N(C)C)c1CBr)Cc1ccccc1 1904356367 NUBHPEKETPLVKV-UHFFFAOYSA-N 467.455 5.181 50 10 JKGE CC(C)[C@@H](CBr)N(Cc1ccccc1)C(=O)c1ccc(Br)c(Cl)c1 1915297903 MLAWQFPQXFVXTB-GOSISDBHSA-N 473.636 6.164 50 10 JKGE CN(C[C@@H](Br)COCc1ccccc1)C(=O)c1ccc(C(F)(F)F)c(Cl)c1 1916392562 AWEKIWYRJCGUFZ-OAHLLOKOSA-N 464.709 5.411 50 10 JKGE Cc1sc(Br)cc1[C@H](Cl)c1sc(Br)cc1Br 1922895122 RLXCNCZDEOTILA-VIFPVBQESA-N 465.457 6.734 50 10 JKGE Cc1c(Br)sc([C@H](Cl)c2cc(Br)ccc2Cl)c1Br 1922946026 MTCJOZGCFITAFH-SNVBAGLBSA-N 493.873 7.326 50 10 JKGE Cc1cc(C)cc([C@@H](Br)c2c(Br)sc(Br)c2Cl)c1 1923037888 GDNKXOQIFDELHP-SNVBAGLBSA-N 473.455 7.028 50 10 JKGE Brc1cccc(Br)c1C[C@H](Br)COCc1ccccc1 1934527933 MZMUHIJGNUDOQU-ZDUSSCGKSA-N 463.007 5.734 50 10 JKGE CCc1cc(Br)c([C@H](Br)c2cccc(I)c2)s1 1942101661 MCHLQYKAZZVFAF-GFCCVEGCSA-N 486.010 6.162 50 10 JKGE CC(C)(C)OC(=O)Nc1ccc(I)cc1C(C)(C)CBr 1951698751 VYTZFKJLJWDINR-UHFFFAOYSA-N 454.146 5.311 50 10 JKGE Brc1sc(Br)c([C@H](Br)[C@H]2[C@H]3OCC[C@@H]32)c1Br 1983249762 OQBOZLMJSDFPPC-VNSQGQJGSA-N 495.856 5.507 50 10 JKGE COc1ccc(CSc2nnc(SCC(=O)C(C#N)=C3Sc4ccccc4N3C)s2)cc1 2042914044 CQTNSEOVQNYYNQ-UHFFFAOYSA-N 498.680 5.477 50 10 JKGE COc1cc([C@@H](Br)c2cc(Br)sc2C)ccc1Br 2072061735 UILOHDYOYSANPE-CYBMUJFWSA-N 455.009 6.074 50 10 JKGE C[C@H](Br)[C@@H](NCc1ccc(Br)cc1Br)C(F)(F)F 2074716255 LFXNJJWTRVWHAS-QUBYGPBYSA-N 453.922 5.016 50 10 JKGE Cc1sc(Br)c([C@H](Br)c2c(Cl)cccc2Br)c1C 2082870028 CZSMQMYXLUUXOP-LBPRGKRZSA-N 473.455 7.028 50 10 JKGE CC(C)(C[C@H](Br)c1ccc(Br)cc1Br)C(F)(F)F 2083323220 WAQBHLCLMLEFIM-JTQLQIEISA-N 452.934 6.626 50 10 JKGE Cc1cc([C@@H](Br)Cc2cccc(Br)c2)ccc1I 2086023150 LDSWIHOXMZZVBX-AWEZNQCLSA-N 479.981 6.041 50 10 JKGE Cc1cc([C@@H](Cl)c2c(Cl)sc(Br)c2Cl)ccc1I 2086024394 UPPGMSYHCYYAEQ-SECBINFHSA-N 496.422 7.059 50 10 JKGE Cc1cc(Br)c([C@H](Br)[C@H]2C[C@@]2(C)C(F)(F)F)cc1Br 2105513704 ORPQZRCLZSYMSB-JFUSQASVSA-N 464.945 6.545 50 10 JKGE Clc1ccc(Br)c(CC[C@@H](Br)c2ccc(Br)cc2)c1 2113490896 ISTMZAMDGLOPPQ-CQSZACIVSA-N 467.426 6.934 50 10 JKGE FC(F)(F)[C@@H]1CN(Cc2ccccc2)CCN1c1cccc(Br)c1CBr 2130160111 RRALWINKGWCWDY-SFHVURJKSA-N 492.177 5.597 50 10 JKGE CCC[C@H]1CN(Cc2ccc(Br)cc2Br)C[C@H]1CBr 2140786235 LLWAYEACEITBOC-WCQYABFASA-N 454.044 5.455 50 10 JKGE Cl[C@@H](c1c(Br)sc(Br)c1Br)[C@@H]1C[C@H]2COC[C@H](C2)C1 2141794588 UWLVCABSWUEREX-OFHVYEONSA-N 493.486 6.378 50 10 JKGE Clc1ccc(C[C@@H](CBr)Cc2ccc(Br)cc2Br)cc1 2148682701 OYUGKLMBLWMCBQ-GFCCVEGCSA-N 481.453 6.661 50 10 JKGE BrCc1cc(Br)c(OC[C@@]23CCC[C@H]2CCO3)c(Br)c1 2152940223 BMNZHRJBAORLNK-NHYWBVRUSA-N 469.011 5.445 50 10 JKGE CN(Cc1ccccc1)CC(C)(C)n1c(CCCl)nc2cc(Cl)c(Br)cc21 2169015725 QRQSBNBFFUYVLA-UHFFFAOYSA-N 469.254 6.101 50 10 JKGE CO[C@H]1C[C@H]([C@H](Br)c2cc(Br)c(C)cc2Br)C[C@H]1OC 2174891993 KMTDMGRKTNSPSN-JVOAXRGISA-N 471.027 5.396 50 10 JKGE CN(c1cc(Br)cc(F)c1CBr)[C@@H]1C[C@@H]2C[C@H](OCc3ccccc3)C[C@H]21 2190537159 LURSPPNXVJAWLR-DZKDUJFISA-N 497.246 6.303 50 10 JKGE Cc1cc(Br)c(C)c([C@H](Br)C2(C)C(C)(C)C2(C)C)c1Br 2201065204 OFKQNACWRDORCL-AWEZNQCLSA-N 467.083 7.337 50 10 JKGE COc1cc(Cl)c([C@H](Br)c2ccc(C)c(Br)c2)cc1Br 2202352836 PJOSKYQXAQTVKP-OAHLLOKOSA-N 483.425 6.666 50 10 JKGE COc1c(Br)cc(C)cc1[C@H](Cl)c1cccc(Br)c1Br 2203826099 SWZYSMMOMPBOPX-CQSZACIVSA-N 483.425 6.619 50 10 JKGE CC(C)(C)OC(=O)NC[C@@](C)(CI)OCc1ccc(Cl)cc1Cl 2212517082 WFRUVLOQTVKTTN-MRXNPFEDSA-N 474.166 5.228 50 10 JKGE Clc1cc(Br)c([C@@H](Cl)c2ccoc2Br)c(Cl)c1Cl 2217612855 ISWNUTYGGAAALN-QMMMGPOBSA-N 453.772 7.093 50 10 JKGE COc1sc([C@H](Cl)c2ccc(C)c(I)c2)cc1Br 2217866646 NPJOHRHBDUEVTF-GFCCVEGCSA-N 457.558 5.760 50 10 JKGE Clc1c(Br)sc(Br)c1[C@H](Br)[C@@H]1OC[C@@H]2CCC[C@H]21 2218093433 WRLVLMBWSAOLFV-CVUIIHQFSA-N 479.459 6.178 50 10 JKGE Cc1ccc(I)c([C@@H](Cl)c2c(Br)sc(C)c2C)c1 2224056439 XKJFGAGMLRLCTK-CYBMUJFWSA-N 455.586 6.369 50 10 JKGE CC(C)(C)OC(=O)N1CCC(CI)(O[C@H]2CCCC[C@H]2C(F)(F)F)CC1 2231391693 SWFLTVOQKKTGEQ-KGLIPLIRSA-N 491.332 5.329 50 10 JKGE O=C(c1cc(Br)c(Br)s1)N1C[C@H](Br)CC12CCCC2 2232243121 KVXUIGLTOZWBGA-MRVPVSSYSA-N 472.040 5.195 50 10 JKGE FC(F)(F)C1CC([C@@H](Br)c2c(Br)cc(Cl)c(Cl)c2Cl)C1 2232528236 RIVKSSFZONSWDX-PACJAATDSA-N 475.357 7.434 50 10 JKGE Fc1cc(Br)c(Br)cc1[C@H](Br)c1cc2c(s1)CCOC2 2233976318 OLXBGYFGYLKBRB-AWEZNQCLSA-N 485.010 5.969 50 10 JKGE C[C@H](CCBr)N(Cc1ccccc1)C(=O)c1cc(Br)c(F)cc1Cl 2249341765 XELIFIQHQAXYSN-GFCCVEGCSA-N 477.599 6.058 50 10 JKGE Cn1ncc([C@H](Cl)Cc2cc(Br)cc(Br)c2)c1Br 2263513891 UJALGMHTEUZLMG-LLVKDONJSA-N 457.391 5.230 50 10 JKGE COc1cc(C[C@H](Br)c2cccc(Br)c2)sc1Br 2263737431 XGZSDGNJAHSGPJ-NSHDSACASA-N 455.009 5.960 50 10 JKGE COc1c([C@H](Br)C2CC(Br)C2)cc(Br)c2c1CCC2 2269170082 BZBKSUMCVYJNID-OAQUUNCKSA-N 453.012 5.556 50 10 JKGE COc1cc(C)c(Br)c(C)c1[C@H](Br)c1sncc1Br 2269602986 FPUQPHAENAJAHO-LBPRGKRZSA-N 470.024 5.778 50 10 JKGE Fc1cc(Br)c(Br)cc1[C@H](Br)[C@H]1CCC[C@H]1C(F)F 2270154883 KSVQUAGLOCVIPI-QRPMWFLTSA-N 464.945 6.468 50 10 JKGE CS(=O)(=O)c1cscc1[C@H](Br)c1ccc(Br)cc1Br 2272866994 ADUVGHXCRXWCIZ-GFCCVEGCSA-N 489.048 5.161 50 10 JKGE FC1(F)[C@@H]2CC([C@@H](Br)Cc3cc(Br)cc(Br)c3)C[C@H]21 2277966778 VTSGUPXWWPOKHX-UPJWGTAASA-N 458.966 5.809 50 10 JKGE COc1ccc(Oc2cccc(Br)c2CBr)cc1Br 2277993674 YFERUHISTUPCPR-UHFFFAOYSA-N 450.952 5.907 50 10 JKGE Fc1cc(Br)c(F)c(Br)c1[C@H](Br)[C@@H]1OC[C@@H]2CCC[C@@H]21 2288489720 XKPFNYBGAVSFRL-HNHNTRAQSA-N 474.965 5.741 50 10 JKGE COCc1cccc([C@@H](Br)Cc2cc(Br)cc(Br)c2)c1 2295328943 BCXUXHSIXFMJKZ-INIZCTEOSA-N 463.007 6.037 50 10 JKGE Cc1ccc(NC=C(C#N)c2nc(-c3ccc(Br)cc3)cs2)c(Br)c1 2295945619 CLZMLNOLGZWULP-UHFFFAOYSA-N 475.209 6.620 50 10 JKGE C=CCOc1ccc(-c2nn(-c3ccccc3)cc2C=C(C#N)C(=O)Nc2ccccc2C)c(C)c1 2296720342 SXHHIORRNSOQRE-UHFFFAOYSA-N 474.564 6.267 50 10 JKGE COC[C@]1(C)C[C@H]1[C@@H](Br)c1cc(Br)ccc1OCc1ccccc1 2299527905 MZWFVGZTLHQEJA-IHPCNDPISA-N 454.202 6.137 50 10 JKGE O[C@@H](c1c(Cl)cc(Br)c(F)c1Br)[C@H]1C[C@H](Br)C1 2300207272 XUCFQZUSENSZOV-RDSNPXOSSA-N 451.355 5.211 50 10 JKGE COc1cc(C=C(C#N)C(=O)Nc2ccccc2Cl)ccc1OCc1cccc(C(=O)O)c1 2313565186 YTKVSJMJALJRKJ-UHFFFAOYSA-N 462.889 5.171 50 10 JKGE CCOc1cc(C=C(C#N)C(=O)Nc2cccc([N+](=O)[O-])c2)ccc1OC(=O)c1ccc(Cl)cc1 2313671277 YBYNPLURAYWXAQ-UHFFFAOYSA-N 491.887 5.412 50 10 JKGE Brc1cc(OCc2ccccc2)ccc1[C@H](Br)[C@@H]1COC2(CCC2)C1 2314442375 FPBXPYUNMQWLBT-OXJNMPFZSA-N 466.213 6.423 50 10 JKGE C=CCNC(=O)C(C#N)=C1S[C@@H](Cc2ccc(CCCC)cc2)C(=O)N1c1ccc(C)c(C)c1 2314592740 AXCQPIXMBUOMFN-VWLOTQADSA-N 473.642 5.375 50 10 JKGE CC[C@@H](C)N1C(=O)C(=Cc2ccc(OCc3ccccc3Cl)c(OC)c2)C(C)=C(C#N)C1=O 2314610406 HULXAEAJFGFGFP-MRXNPFEDSA-N 464.949 5.318 50 10 JKGE CC(C)c1ccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)C=Cc4ccc(C(C)(C)C)cc4)ccc32)cc1 2314634236 JHDXUYSLOQUJRB-SSEXGKCCSA-N 492.619 6.944 50 10 JKGE COc1cc(C=C(C#N)c2ccc(Cl)cc2)ccc1OC(=O)COc1ccccc1C(C)C 2314734730 GJBSRZSATDMANP-UHFFFAOYSA-N 461.945 6.521 50 10 JKGE C[C@@]1([C@@H](Br)c2c(Cl)cc(Br)c(F)c2Br)CCCO1 2315457961 HURAQJXABZHSLU-RYUDHWBXSA-N 465.382 6.009 50 10 JKGE CCOc1ccc([C@H](Br)c2ccc(Cl)cc2I)s1 2317774661 RLIQQDPSXYGVLH-CYBMUJFWSA-N 457.558 5.889 50 10 JKGE COc1ccc(CCC(=O)Oc2ccc(C=C(C#N)c3ccc(OC)c(OC)c3)cc2)cc1OC 2320506271 GCFAHFJAZADGIP-UHFFFAOYSA-N 473.525 5.323 50 10 JKGE COc1ccc([C@H](C)NC(=O)C(C#N)=CNc2ccc(Cl)c(C(F)(F)F)c2)cc1OC 2325045160 IXYODTNIRDNGGO-LBPRGKRZSA-N 453.848 5.073 50 10 JKGE CC[C@@H]1CC[C@H](Br)[C@H](Cc2ccc(I)c(Br)c2)C1 2325174134 CTTPEYCBEKEEQO-WXHSDQCUSA-N 486.029 6.186 50 10 JKGE Cc1cc(-c2csc(C(C#N)=C(O)[C@H](C)Oc3ccc(Cl)cc3Br)n2)ccc1F 2331320708 WPUGAJRMCJDOGE-LBPRGKRZSA-N 493.785 6.934 50 10 JKGE COc1ccc(C(C)(C)C)cc1-c1csc(C(C#N)=C(O)CNC(=O)c2ccc(Cl)cc2)n1 2331349225 BJDYSGAGVKFADC-UHFFFAOYSA-N 482.005 5.992 50 10 JKGE COc1ccc(C=CC(O)=C(C#N)c2nc(-c3cc(C(C)C)c(OC)cc3C)cs2)c(OC)c1 2331353995 WTBJFSUNQLDAAI-UHFFFAOYSA-N 476.598 6.774 50 10 JKGE CCCCOc1c(Br)cc(C=C(C#N)c2nc(-c3cc(C)ccc3C)cs2)cc1OC 2331445586 OAQJOKJGBOHWIJ-UHFFFAOYSA-N 497.458 7.441 50 10 JKGE CCCCOc1ccc(C=C(C#N)c2nc(-c3cc(OC)ccc3OC)cs2)cc1OC 2331450400 DXNAXORFPSMQLZ-UHFFFAOYSA-N 450.560 6.079 50 10 JKGE N#CC(=Cc1ccccc1OCc1ccccc1Cl)c1nc(-c2ccc(F)c(F)c2)cs1 2331463918 CTILYVDZMJBPNC-UHFFFAOYSA-N 464.924 7.385 50 10 JKGE Fc1cc(Br)c(F)c(Br)c1[C@H](Br)[C@H]1CCC[C@@H]2C[C@H]12 2334739805 QKSDZDCCKAJSCG-MOEZTCPLSA-N 458.966 6.362 50 10 JKGE C[C@@H](Br)CN(Cc1ccc(Cl)c(I)c1)CC(C)(C)C 2337220715 GJEKYXAUGDHQJX-LLVKDONJSA-N 458.609 5.576 50 10 JKGE Cc1cc(C)c([C@@H](Br)c2c(Br)ncn2C)c(C)c1Br 2337328913 WLZFIWACCRIBGT-GFCCVEGCSA-N 451.000 5.355 50 10 JKGE Clc1cc(I)c([C@H](Br)[C@@H]2CC[C@@H]3CCCC[C@@H]3C2)s1 2338773946 SPHWEXNEEMHRGP-ICUOPCATSA-N 473.645 7.049 50 10 JKGE COc1c(Br)cc(C)c([C@H](Br)[C@@H]2C[C@@H]2C2CC2)c1Br 2339655397 YLGXUTQUHKRNLW-GIPNMCIBSA-N 453.012 6.011 50 10 JKGE CC1(C)CCCC[C@]1(CBr)Cc1cc(I)ccc1Cl 2352422884 AHVFJBIIPWOVLG-MRXNPFEDSA-N 455.605 6.469 50 10 JKGE C[C@]1([C@H](Br)c2c(F)cc(Cl)c(Br)c2Cl)C[C@@H]1C(F)(F)F 2360418269 PINOYQGJGIUIFW-FZYJTZEISA-N 458.902 6.920 50 10 JKGE Fc1c(Br)cc(Cl)c([C@H](Cl)[C@]23COC[C@H]2C3(F)F)c1Br 2362232647 QILORDZLFGVMRZ-DADVEIPYSA-N 454.895 5.566 50 10 JKGE Fc1c(Br)cc(Cl)c([C@H](Cl)C2(CC(F)(F)F)CC2)c1Br 2362237463 PETXPTHYIWPAOB-JTQLQIEISA-N 458.902 7.017 50 10 JKGE COc1c(Br)cc(C)c([C@H](Br)[C@@H]2CCCC2(C)C)c1Br 2365231900 ORAUYMJMPXUEQI-GXFFZTMASA-N 469.055 6.791 50 10 JKGE CC1(C)CC(CBr)(CN=[S@](C)(=O)c2ccc(NC(=O)OC(C)(C)C)cc2)C1 2371130875 FHCGCPKGRCIZFL-HHHXNRCGSA-N 459.450 5.692 50 10 JKGE Cc1cc(F)c(CBr)c(OCc2cc(I)ccc2Cl)c1 2380353155 HTFZFHOONCEQNI-UHFFFAOYSA-N 469.519 5.866 50 10 JKGE Clc1ccc(I)cc1CN1CC[C@@H]2CC[C@@H](Br)C[C@H]2C1 2380531891 VTXZZRVQCVZBPM-SGMGOOAPSA-N 468.604 5.330 50 10 JKGE CCc1cc(Br)c(OC)c([C@@H](Br)c2ccc(OCc3ccccc3)cc2)c1 2381254690 SROZNHWGJIYOOC-QFIPXVFZSA-N 490.235 7.083 50 10 JKGE COc1cc([C@@H]2C(C#N)=C(N)OC3=C2C(=O)C[C@@H](c2ccccc2)C3)ccc1OCc1ccccc1 1010028 QQNMHTHRXCYVLC-SKCUWOTOSA-N 478.548 5.483 50 10 JKGE Cc1ccccc1C[C@H]1S/C(=C(/C#N)C(=O)Nc2ccc(F)cc2)N(c2ccc(Cl)cc2)C1=O 2406363 KDXLRSWOPLHZBC-YMGIJWJESA-N 491.975 5.853 50 10 JKGE CCc1ccc(Oc2nc3c(C)cccn3c(=O)c2/C=C(/C#N)S(=O)(=O)c2ccc(C)cc2)cc1 2418270 XXSMFHPRPASHHH-KQWNVCNZSA-N 485.565 5.004 50 10 JKGE CC(C)c1ccc(OCC(=O)N/N=C/c2cccc(Oc3ccccc3)c2)c(Br)c1 14014951 OJOWNXOCQXDPPA-CVKSISIWSA-N 467.363 5.894 50 10 JKGE COc1ccc(N/C(SCc2cc(C)ccc2C)=C(/C#N)S(=O)(=O)c2ccccc2)cc1Cl 20325672 RAUVHPOQDVVIMI-OCOZRVBESA-N 499.057 6.477 50 10 JKGE COc1ccc(/C(C#N)=C\c2ccc(OC(=O)[C@H](C)Oc3ccc(Cl)cc3Cl)cc2)cc1OC 31901101 XMKSKPJZLZTRQM-JJBLJPBOSA-N 498.362 6.448 50 10 JKGE O=C(CSc1nc2ccccc2[nH]1)N/N=C\c1c(OCc2ccccc2)ccc2ccccc12 32519928 MRLBWYAYLBAHSN-NTFVMDSBSA-N 466.566 5.538 50 10 JKGE C=CCOc1ccc(-c2nn(-c3ccccc3)cc2/C=C2/C(=O)N(CC)C(=O)C(C#N)=C2C)c(C)c1 38603126 WIVMBYZIEDEDBK-PCLIKHOPSA-N 478.552 5.025 50 10 JKGE COc1ccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)[C@H](C)Oc4ccc(C(C)C)cc4)ccc32)cc1 38650401 NDMWHQKZVPVVIC-MYUZEXMDSA-N 484.552 5.410 50 10 JKGE CCCOc1ccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)COc4c(C)cccc4C)ccc32)cc1 38650660 SVHXWXXCVTVJEZ-MHZLTWQESA-N 484.552 5.295 50 10 JKGE CCCCCOc1ccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4cccs4)ccc32)cc1OC 38660273 PMPBMUGBYKGDOU-RUZDIDTESA-N 490.581 5.763 50 10 JKGE CCCOc1ccccc1[C@@H]1C(C#N)=C(N)Oc2cc(OC(=O)c3cccc4ccccc34)ccc21 38681660 PWHPHQJFCFNQQG-NDEPHWFRSA-N 476.532 6.066 50 10 JKGE N#CC1=C(N)Oc2cc(OC(=O)c3sc4ccccc4c3Cl)ccc2[C@@H]1c1cccc(Cl)c1 38687671 UYPNACJLFDNMNO-NRFANRHFSA-N 493.371 6.645 50 10 JKGE Cc1cc2oc(C(=O)Oc3ccc4c(c3)OC(N)=C(C#N)[C@@H]4c3ccc(F)cc3)c(C)c2cc1C 38688056 CFFBHZUOMGVKLY-RUZDIDTESA-N 468.484 5.935 50 10 JKGE CCCCC1CCC(C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@@H]3c2cccc([N+](=O)[O-])c2)CC1 38688184 ZZZMAAXGEQHQAJ-ZQYQLRQTSA-N 475.545 5.715 50 10 JKGE C/C(=N\NC(=O)c1ccc(OCc2ccc(Cl)cc2Cl)cc1)c1cc(Cl)ccc1O 48573727 RZPPUBOGNDHWRF-LGJNPRDNSA-N 463.748 6.085 50 10 JKGE Fc1cc(Br)c(Cl)cc1[C@@H](Cl)c1ccc(I)cc1 97895535 QFTTXQWNPSYVKN-ZDUSSCGKSA-N 459.911 6.174 50 10 JKGE COc1ccc(Br)c(CC(CBr)(CBr)C2CCCC2)c1 160150019 YEWQPPJGWRUCDO-UHFFFAOYSA-N 469.055 5.967 50 10 JKGE CCCOc1ccc([C@H](Br)c2c(F)cccc2Br)cc1Br 161230283 MBWHGPRMPVKNPZ-INIZCTEOSA-N 480.997 6.624 50 10 JKGE CCOc1cc(/C=N\NC(=O)c2ccc(N)cc2)ccc1OCc1c(Cl)cccc1Cl 169900194 CZWVONCHMUFMOO-WKIKZPBSSA-N 458.345 5.317 50 10 JKGE O=C(c1ccccc1)c1cc(Cl)ccc1N(C(=O)CI)c1ccccc1 196692203 RAMCUDRULATWEO-UHFFFAOYSA-N 475.713 5.671 50 10 JKGE C[C@@H]1CCCC[C@@H]1NC(=O)[C@H](c1ccccc1Cl)N(Cc1ccccc1Cl)C(=O)CCl 230275179 JRFUEJYPTUPSIH-HNKPZJSLSA-N 481.851 5.997 50 10 JKGE Fc1ccccc1COc1c(Br)cc(CBr)cc1Br 236170034 IZLOWEIHCJRDPX-UHFFFAOYSA-N 452.943 5.825 50 10 JKGE O=C(NN=Cc1ccc(Cl)cc1Cl)c1ccccc1NS(=O)(=O)c1ccc(Cl)cc1 254760276 VQACYONAEXKZSW-UHFFFAOYSA-N 482.776 5.212 50 10 JKGE Fc1ccc([C@H](Br)c2cc3c(cc2Br)OCC3)cc1Br 308414210 KHOAJVZKBVZQIE-HNNXBMFYSA-N 464.954 5.770 50 10 JKGE Brc1ccc(C[C@@H](Br)c2sccc2I)cc1 309213903 HPYPKHXQXCEKII-SNVBAGLBSA-N 471.983 5.794 50 10 JKGE ClCc1cc(Br)cc(Br)c1OCc1cccc(Cl)c1Cl 312743331 YENISEUAINJSKG-UHFFFAOYSA-N 459.392 6.836 50 10 JKGE Br[C@H](c1cc2sccc2s1)c1cc(I)cc2c1OCC2 380343253 YXWSYBXVQUBBKH-AWEZNQCLSA-N 477.186 5.987 50 10 JKGE COc1ccc([C@@H]2CN(Cc3ccccc3)C[C@H]2CI)cc1Br 382691717 OIIZJLVVJXJCOW-SJORKVTESA-N 486.191 5.108 50 10 JKGE Cc1cc(F)c([C@H](Br)c2cc(Br)c(Br)s2)cc1Cl 395919155 USSNNTAIOQEWRQ-NSHDSACASA-N 477.418 6.858 50 10 JKGE C[C@H]1CN(Cc2ccccc2)CC[C@@H]1n1c(CCl)nc2cc(F)c(Br)cc21 397947757 JNSHFXJNYOHETJ-LIRRHRJNSA-N 450.783 5.760 50 10 JKGE Fc1cc(Br)c([C@@H](Br)c2cc(Cl)cc(Br)c2)c(F)c1F 398651095 BQVINMGHHIWRIV-NSHDSACASA-N 493.342 6.767 50 10 JKGE CC(C)(C)[Si](C)(C)OCCN1CCOCC[C@H]1c1ccccc1CO[Si](C)(C)C(C)(C)C 616596959 BCFMETSXPRHGBC-DEOSSOPVSA-N 479.854 6.994 50 10 JKGE CC(C)(C)[Si](C)(C)OCCc1ccc([C@H]2COCCCN2CCO[Si](C)(C)C(C)(C)C)cc1 616599634 MTQRBXPBCSQKRE-RUZDIDTESA-N 493.881 7.036 50 10 JKGE Cc1ccc2ccccc2c1[C@@H](Br)c1scc(Br)c1Br 705449331 YTNDBAKCARLQFC-OAHLLOKOSA-N 475.043 7.219 50 10 JKGE C[C@H](Cl)c1nc2c(F)cc(F)cc2n1CC1(N(Cc2ccccc2)Cc2ccccc2)COC1 707860702 ZNYBFVPSQDDRFE-IBGZPJMESA-N 481.974 6.086 50 10 JKGE O=C(N[C@H](CCBr)C1CCCCC1)c1cc(Br)c(Br)s1 725038369 WTHGPYUOAUXFAI-LLVKDONJSA-N 488.083 5.737 50 10 JKGE Cc1ccc(C)c(NC(=O)C(=O)NN=Cc2cc(C)n(-c3cc(Cl)cc(Cl)c3)c2C)c1 1084047861 AZODYEBAXRPPRG-UHFFFAOYSA-N 457.361 5.107 50 10 JKGE COc1cc(/C=C(/C#N)C(=O)Nc2cc(Cl)ccc2C)ccc1OCc1ccccc1F 1084280950 PRCPQBVLKRLGNO-ODLFYWEKSA-N 450.897 5.921 50 10 JKGE Cc1nn(Cc2ccccc2Cl)c(C)c1C=NNC(=O)COc1ccc(C(C)(C)C)cc1 1084284318 YTZHZVJELQKXPA-UHFFFAOYSA-N 452.986 5.028 50 10 JKGE O=C(CC[C@@H](O)c1ccccc1)NN=Cc1cc(Br)ccc1OCc1ccc(F)cc1 1084396534 PKEKTGZNNHKRLG-JOCHJYFZSA-N 485.353 5.131 50 10 JKGE N#C/C(=C/c1ccc(OCc2cccc(Cl)c2)cc1)C(=O)Nc1cc([N+](=O)[O-])ccc1Cl 1084447820 XVWPWJXXMPSJAM-YVLHZVERSA-N 468.296 6.026 50 10 JKGE Cc1ccc(NC(=O)OC(C)(C)C)cc1NS(=O)(=O)c1ccc(CBr)cc1 1260510302 WQIJMJAIZXOZRY-UHFFFAOYSA-N 455.374 5.038 50 10 JKGE COc1ccc(-c2ccc(C=NNC(=O)c3ccc(-c4ccc(Br)cc4)o3)o2)cc1 1772723539 JUPFMQFKYKNXJS-UHFFFAOYSA-N 465.303 5.742 50 10 JKGE CCOC(=O)NN=C1CCCc2oc(C(=O)Nc3ccc(N=Nc4ccccc4)cc3)c(C)c21 1772751164 JLNXFTYJQSNSJZ-UHFFFAOYSA-N 459.506 6.042 50 10 JKGE Cc1cc(Br)cc(C)c1OCC(=O)NN=Cc1ccc(OCc2ccccc2)cc1 1772753300 OQRPERCSAPTVGW-UHFFFAOYSA-N 467.363 5.174 50 10 JKGE CCCCCOc1ccc([C@H]2C(C#N)=C(N)Oc3c2c(CCC)nn3CCC)cc1OCC 1865691067 ILKAPIPBSJVRCA-QHCPKHFHSA-N 452.599 5.431 50 10 JKGE CCCOc1c(OC)cccc1[C@H]1C(C#N)=C(N)Oc2c1c(CC)nn2Cc1c(F)cccc1Cl 1865693565 OZRHAEUVDGXQFC-QFIPXVFZSA-N 496.970 5.302 50 10 JKGE Cc1nn(-c2ccccc2)c2c1[C@H](c1ccc(OCc3ccc(Cl)cc3)cc1)C(C#N)=C(N)O2 1865695030 IBDCUJBVSDJONL-RUZDIDTESA-N 468.944 5.631 50 10 JKGE CCN(CC)c1ccc([C@H]2C(C#N)=C(N)Oc3c2c(-c2ccccc2)nn3Cc2ccccc2F)cc1 1865702389 URPLKYJLECCNSR-SANMLTNESA-N 493.586 5.802 50 10 JKGE COc1ccc(-c2nn(-c3cccc(Cl)c3)c3c2[C@@H](c2ccccc2O)C(C#N)=C(N)O3)cc1 1865708045 MOGONIHFISOGDL-QFIPXVFZSA-N 470.916 5.125 50 10 JKGE CCc1ccc([C@H]2C(C#N)=C(N)Oc3c2c(C(F)(F)F)nn3Cc2ccc(Cl)c(Cl)c2)cc1 1865709081 NEVOAVMDONZLCK-SFHVURJKSA-N 493.316 6.038 50 10 JKGE Cc1oc(-c2ccc(C(C)(C)C)cc2)nc1CC(=O)NC(C)(C)C(=O)Nc1ccc(SC#N)cc1 1866681237 HYCSDCDXCOKDMN-UHFFFAOYSA-N 490.629 5.597 50 10 JKGE CCCC[C@@H](NC(=O)C[C@@H](c1ccc(Cl)cc1)C(C)C)C(=O)Nc1ccc(SC#N)cc1 1866761710 LRZFTCPHDKNPAN-DHIUTWEWSA-N 472.054 6.357 50 10 JKGE COc1cc(/C=C(\C#N)c2ccccc2[N+](=O)[O-])ccc1OCc1ccc(Cl)c(Cl)c1 1872729617 UYBZTACSPSRNAT-LICLKQGHSA-N 455.297 6.553 50 10 JKGE COc1cccc(-c2csc(/C(C#N)=C(\O)c3ccc4c(c3)C(=O)N(CC(C)C)C4=O)n2)c1 1872744539 XGJIDBKYMYDEJN-XDOYNYLZSA-N 459.527 5.021 50 10 JKGE CCOC(=O)c1ccc(N2C[C@H](/C(O)=C(\C#N)c3nc(-c4ccc(Cl)cc4)cs3)CC2=O)cc1 1872748133 JWYKMPNLJXFUAT-HLGQQVFSSA-N 493.972 5.486 50 10 JKGE COC(=O)c1ccccc1N1C[C@H](/C(O)=C(\C#N)c2nc(-c3ccc(C)cc3C)cs2)CC1=O 1872748525 BJDWEFNWQBGOOL-BJUXRVGASA-N 473.554 5.059 50 10 JKGE COc1cc(OC)c(-c2csc(/C(C#N)=C(\O)Cc3ccc(Br)cc3)n2)cc1Cl 1872756603 RNATUWRDXBIRAS-SDXDJHTJSA-N 491.794 6.279 50 10 JKGE N#C/C(=C\c1ccc(OCc2ccc(Cl)cc2Cl)cc1)c1nc(-c2cccc(Cl)c2)cs1 1872790293 XYNNWNZNPQPKHH-VXLYETTFSA-N 497.834 8.413 50 10 JKGE COc1ccc(-c2csc(/C(C#N)=C/c3cccc(OCc4ccccc4)c3)n2)c(OC)c1 1872793880 YYJLQLQGRRLVHL-FYJGNVAPSA-N 454.551 6.470 50 10 JKGE CCCCCCOc1ccc(/C=C(\C#N)c2nc(-c3c(C)cc(C)cc3C)cs2)cc1OC 1872793945 BOMXMQUOTILYMD-HZHRSRAPSA-N 460.643 7.767 50 10 JKGE CC(C)(C)OC(=O)N1CCC[C@H]1C(=O)N/N=C/c1ccc(OCc2ccc(Cl)cc2Cl)cc1 1873793304 IBHCNMJYXWJZHW-XYGFXTTESA-N 492.403 5.422 50 10 JKGE COc1cc(/C=C/C(O)=C(\C#N)c2nc(-c3ccc4ccccc4c3)cs2)cc(OC)c1OC 1873940739 FHUMFQSQPBVVJY-ARDXNMSASA-N 470.550 6.495 50 10 JKGE Cc1c(Br)cccc1[C@@H](Cl)c1c(Br)sc(Br)c1Cl 1923037216 BLPKOWCOQBPTHF-SECBINFHSA-N 493.873 7.326 50 10 JKGE Brc1sc(Br)c([C@@H](Br)CC2CCC2)c1Br 1924577068 WOMPXNARVKERIO-LURJTMIESA-N 481.873 6.662 50 10 JKGE Fc1ccc([C@H](Cl)c2c(Br)sc(Br)c2Br)c(Cl)c1 1924594037 KEGNSXSGSGDIER-VIFPVBQESA-N 497.836 7.156 50 10 JKGE Clc1cc(Br)cc([C@H](Br)Cc2ncccc2Br)c1 1924861041 LLSBFSDMKMMOLQ-GFCCVEGCSA-N 454.387 5.939 50 10 JKGE CC(C)(C)C1CCC([C@@H](Br)c2c(Cl)sc(Br)c2Cl)CC1 1925599149 MIRHMTULDUQDCN-NWGYLPEXSA-N 463.106 8.106 50 10 JKGE O=S(=O)(c1cc(CBr)sc1Br)N(Cc1ccccc1)CC1CC1 1984650322 WFGSYHTZTHBVBX-UHFFFAOYSA-N 479.259 5.006 50 10 JKGE COCCC1([C@H](Cl)c2c(Br)sc(Br)c2Br)CC1 1996213570 HBZPCTUEVSAGHN-MRVPVSSYSA-N 467.448 6.132 50 10 JKGE Fc1c(CN(Cc2ccccc2)[C@H](CBr)C2CC2)ccc(Cl)c1Br 2001884648 TXXOOXCXSSMSIQ-QGZVFWFLSA-N 475.627 6.417 50 10 JKGE Cc1cc([C@H](Br)c2cc(I)ccc2F)sc1Br 2003650203 SDPQNHPMLNCDQW-LLVKDONJSA-N 489.973 6.047 50 10 JKGE CCCC(CBr)(CCC)CN1C[C@H](C)N(C(=O)OCc2ccccc2)[C@@H](C)C1 2044698506 CESSZHISWDVXGC-PMACEKPBSA-N 453.465 5.699 50 10 JKGE Cc1c(Br)sc([C@@H](Br)[C@H]2CCCOC2(C)C)c1Br 2066882977 HJBFANLFCVUQOB-SCZZXKLOSA-N 461.057 6.223 50 10 JKGE FC(F)(F)c1ccc(Cn2nc3c(c2CBr)[C@@H]2C[C@H]2C3)cc1Br 2080537576 QVBCKNDTXDSBNH-VHSXEESVSA-N 450.096 5.267 50 10 JKGE Cc1cc(F)c([C@@H](Br)c2cccc(Br)c2Br)cc1C 2092333853 DCVJLOSGTXHQQO-AWEZNQCLSA-N 450.971 6.452 50 10 JKGE C[C@H](Cl)c1nc2cc(Cl)c(Br)cc2n1C[C@@H]1CCN1Cc1ccccc1 2112701291 HRJBVQANQSVBNN-ZFWWWQNUSA-N 453.211 6.027 50 10 JKGE Cl[C@H](CCc1c(Br)cccc1Br)c1cccc(Br)c1 2113441733 KRDVYAAFRVGPRT-OAHLLOKOSA-N 467.426 6.887 50 10 JKGE CN(c1cc(Br)cc(F)c1CBr)[C@H]1CC(C)(C)[C@@H]1OCc1ccccc1 2114267220 DRTYWGHGJZQUIX-VQTJNVASSA-N 485.235 6.303 50 10 JKGE Cc1cc(Br)c(CBr)c(N(C)[C@@H]2CC(C)(C)[C@@H]2OCc2ccccc2)c1 2116804140 OJDLHNXVAGUHAA-NHCUHLMSSA-N 481.272 6.473 50 10 JKGE Clc1ccc(Br)c(CO[C@@H](CI)c2ccccc2)c1 2135984558 UMJLATQTBAJLJV-HNNXBMFYSA-N 451.529 5.795 50 10 JKGE Cc1c(Br)ccc([C@H](Br)c2cc(F)ccc2Cl)c1Br 2138848658 BKOJNCSSFASNRL-AWEZNQCLSA-N 471.389 6.797 50 10 JKGE Cc1c(Br)ccc([C@@H](Br)C(F)(F)[C@@H]2CCOC2)c1Br 2138849189 CVPYAQXMDKSWKD-PRHODGIISA-N 462.954 5.628 50 10 JKGE Cc1c(Br)ccc([C@H](Br)c2cc(F)cc(Cl)c2)c1Br 2138873900 RJCXMBYNNMQUBM-CQSZACIVSA-N 471.389 6.797 50 10 JKGE COc1c(Br)cc(C)cc1[C@@H](Br)c1cc(Br)sc1C 2139015970 ZAQHMGBPBZCRSN-ZDUSSCGKSA-N 469.036 6.383 50 10 JKGE CC1(C)C[C@H](n2c(CCl)nc3cc(F)c(Br)cc32)CN1Cc1ccccc1 2154534156 GFPDIOLOPQKWJA-HNNXBMFYSA-N 450.783 5.902 50 10 JKGE BrCc1cc(Br)cc(Br)c1O[C@@H]1CCC2(CCCC2)C1 2155086531 GWYAUDLTJUYLJJ-CYBMUJFWSA-N 467.039 6.598 50 10 JKGE C[C@H]1C[C@H](CCC(CBr)(CBr)c2ccc(Br)cc2)CO1 2159288042 RDVFQACODYTOSN-STQMWFEESA-N 469.055 5.682 50 10 JKGE C[C@H](c1cccs1)N(Cc1ccccc1)S(=O)(=O)c1cc(CBr)ccc1F 2179786423 AGUHGCNNAXMYAC-OAHLLOKOSA-N 468.413 5.734 50 10 JKGE CC1(C)C[C@@](C)(CBr)CN1C(=O)c1cccc(Br)c1Br 2199551272 JVXBMYPGUJDUTH-HNNXBMFYSA-N 468.027 5.237 50 10 JKGE Cc1cc(Br)c(C)c([C@@H](Br)c2c(F)cccc2Cl)c1Br 2201073302 YVXPRQXUFACBIT-OAHLLOKOSA-N 485.416 7.105 50 10 JKGE Cc1cc(Br)c(C)c([C@H](Cl)c2cccc(Br)c2F)c1Br 2201079141 QXSHYHFCLJDXTJ-CQSZACIVSA-N 485.416 7.058 50 10 JKGE COc1cc(Cl)c([C@H](Br)c2nn(C)c(Br)c2C)cc1Br 2202346055 PMVMHLSDYRQCEA-NSHDSACASA-N 487.417 5.400 50 10 JKGE COc1cc(F)c(Cl)cc1[C@@H](Br)c1ccc(I)c(C)c1 2207351974 PPHHDGMLRIHNLN-HNNXBMFYSA-N 469.519 5.885 50 10 JKGE Brc1cc(Br)c([C@H](Br)[C@H]2C[C@H]3CCC[C@H](C3)C2)s1 2218351337 ORFGEDMAOHKTGH-BSTOTGJRSA-N 457.069 6.926 50 10 JKGE CCOCc1cc(Br)c([C@H](Br)c2scc(Cl)c2Cl)s1 2224803137 GWHQCENIRZODCQ-VIFPVBQESA-N 465.059 6.900 50 10 JKGE COc1cc(Br)c([C@@H](Br)c2nc(C)sc2Br)cc1C 2227724830 ZFAZAAJKUAASQI-LLVKDONJSA-N 470.024 5.778 50 10 JKGE CCCCCCc1ccc([C@H](Cl)c2cc(Br)c(Br)s2)s1 2234123511 IICIHVLUWAKIFR-AWEZNQCLSA-N 456.696 7.786 50 10 JKGE COc1ccc([C@H](Cl)c2cc(F)ccc2Br)cc1I 2269545871 RRPAOILEKZRCJU-AWEZNQCLSA-N 455.492 5.530 50 10 JKGE Cc1sc([C@H](Br)Cc2cc(Br)cc(Br)c2)c(C)c1C 2277958050 ZYUMEKUZNISXFT-CQSZACIVSA-N 467.064 6.877 50 10 JKGE CS(=O)(=O)c1csc([C@@H](Br)c2cc(F)c(Br)cc2Cl)c1 2282906829 HFYJOGFNBIZWEJ-LBPRGKRZSA-N 462.587 5.191 50 10 JKGE COc1c(C)cc([C@@H](Br)c2ccc(Cl)c(I)c2)cc1C 2283575909 ZTICVNOFXPMWCX-HNNXBMFYSA-N 465.556 6.054 50 10 JKGE COc1ccc([C@H](Br)c2cc(Br)ccc2Br)c(C)c1C 2284604134 CNRIBEJUTJGSMT-INIZCTEOSA-N 463.007 6.321 50 10 JKGE Fc1cc(Br)c(F)c(Br)c1[C@H](Br)CC[C@@H]1CCCCO1 2288493226 PVSFLNPMVOTGDV-DTWKUNHWSA-N 476.981 6.275 50 10 JKGE Fc1cc(Br)c(F)c(Br)c1[C@@H](Cl)c1cccc(Br)c1F 2288496326 GJJJWMTZDCROAM-NSHDSACASA-N 493.342 6.720 50 10 JKGE COc1ccc(C[C@H]2SC(=C(C#N)C(=O)Nc3c(C)cccc3C)N(c3ccccc3)C2=O)cc1 2296507038 QCQYGUQCUBDEHW-XMMPIXPASA-N 483.593 5.377 50 10 JKGE N#CC(=CNc1ccc(Br)cc1F)c1nc(-c2cc3ccccc3oc2=O)cs1 2296789931 CBFNPNRLVRNUMC-UHFFFAOYSA-N 468.307 5.795 50 10 JKGE N#CC(=Cc1ccc(-c2c(Cl)cccc2Cl)o1)c1nc(-c2cccc([N+](=O)[O-])c2)cs1 2296834373 CWLINTBHYJYUDK-UHFFFAOYSA-N 468.321 7.349 50 10 JKGE Brc1cc(OCc2ccccc2)ccc1[C@H](Br)C[C@]12CCC[C@@H]1C2 2299491923 AZANYTUPIRQDBB-MAODMQOUSA-N 450.214 7.044 50 10 JKGE Cc1nc(Br)c([C@H](Cl)c2cc(Br)c(Br)s2)n1C 2300270826 APNQDUNAWOODCZ-SSDOTTSWSA-N 463.420 5.406 50 10 JKGE N#CC(=Cc1cc(Br)ccc1OCc1ccc(Cl)cc1)C(=O)Nc1ccc(F)cc1 2313631012 ZYBAOVHIYKXZBT-UHFFFAOYSA-N 485.740 6.366 50 10 JKGE CCc1ccccc1NC(=O)C(C#N)=Cc1cc(Cl)ccc1OCc1ccc(Cl)cc1 2313738885 WLVMKTXPGOEYKL-UHFFFAOYSA-N 451.353 6.680 50 10 JKGE Cc1cc(C)cc([C@@H](Br)c2ccc(OCc3ccccc3)cc2Br)c1 2314499728 GKKODCCUTYZFJG-JOCHJYFZSA-N 460.209 7.129 50 10 JKGE CC(C)C[C@@H](C(C)C)[C@H](Br)c1ccc(OCc2ccccc2)cc1Br 2314503984 YBVKZJUZZZBYAF-RBBKRZOGSA-N 468.273 7.782 50 10 JKGE N#CC(=Cc1c(Oc2ccc(Cl)cc2Cl)nc2ccccn2c1=O)C(=O)Nc1ccc(F)cc1 2314532149 GOZMIFMTKXWQOP-UHFFFAOYSA-N 495.297 5.478 50 10 JKGE CNC(=O)C(C#N)=C1S[C@@H](Cc2cc(Cl)cc(Cl)c2)C(=O)N1c1ccc(C(C)C)cc1 2314593938 WEQFKJNHYISARP-FQEVSTJZSA-N 474.413 5.289 50 10 JKGE Clc1cc(Br)c(COc2cccc(CBr)c2Br)s1 2322462665 JFWWUEXLXUMRNY-UHFFFAOYSA-N 475.427 6.400 50 10 JKGE C[C@@H]1C[C@@H](Br)[C@@H](C)N(Cc2ccc(I)c(Br)c2)C1 2325212951 QXZZNMJCLUUNAY-CKYFFXLPSA-N 487.017 5.048 50 10 JKGE C[C@@](CBr)(Cc1ccc(I)c(Br)c1)C1CCCC1 2325237085 OBMGZXRPWRAELK-HNNXBMFYSA-N 486.029 6.188 50 10 JKGE COc1ccc([C@H](C)NC=C(C#N)C(=O)Nc2ccc(Cl)c(C(F)(F)F)c2)cc1OC 2325382666 QWCAQWXZEQPKMU-LBPRGKRZSA-N 453.848 5.073 50 10 JKGE N#CC(=Cc1cccc(Br)c1)C(=O)Nc1ccc(C(=O)OC2CCCCC2)cc1 2329698755 CJPKBQSCXQXWLN-UHFFFAOYSA-N 453.336 5.484 50 10 JKGE COC(=O)c1ccc(C(C#N)=Cc2cccc(OC)c2OCc2c(Cl)cccc2Cl)o1 2331048445 GQAXBCFYNRBDKO-UHFFFAOYSA-N 458.297 6.025 50 10 JKGE COc1cc(C=C(C#N)c2ccccc2[N+](=O)[O-])ccc1OC(=O)c1ccc(Cl)cc1Cl 2331066293 WMQXBYIMIUHVQS-UHFFFAOYSA-N 469.280 6.194 50 10 JKGE CC(C)c1ccc(O[C@H](C)C(O)=C(C#N)c2nc(-c3ccc(Cl)cc3Cl)cs2)cc1 2331254728 STTKUUIEUNVAQH-CQSZACIVSA-N 459.398 7.500 50 10 JKGE CCCOc1ccc(-c2csc(C(C#N)=C(O)C=Cc3ccc(Cl)c(Cl)c3)n2)cc1 2331318493 ROPWWADUOUCLBZ-UHFFFAOYSA-N 457.382 7.412 50 10 JKGE COc1ccc(OCC(O)=C(C#N)c2nc(-c3ccc(OC)c(Cl)c3)cs2)c(C(C)(C)C)c1 2331398449 WFPUADSTINKETH-UHFFFAOYSA-N 485.005 6.650 50 10 JKGE CCOc1cc(C=C(C#N)c2nc(-c3ccc(OC)cc3)cs2)ccc1OCc1ccccc1 2331431354 VJEGNPXYUWCLKR-UHFFFAOYSA-N 468.578 6.861 50 10 JKGE N#CC(=Cc1ccc(OCc2ccc(Cl)cc2)cc1)c1nc(-c2ccc(Cl)c(Cl)c2)cs1 2331443928 OOMKBOJSFWKZDJ-UHFFFAOYSA-N 497.834 8.413 50 10 JKGE Brc1ccc(OCc2ccccc2)c([C@H](Br)[C@@H]2OC[C@@H]3CCCC[C@H]32)c1 2336045592 XPYWRQOLBOLGQE-DESBSMFKSA-N 480.240 6.669 50 10 JKGE COc1cc(Br)ccc1[C@H](Cl)c1ccc(OCc2ccccc2)cc1Br 2336052154 YKQVMGWZSYLZAR-OAQYLSRUSA-N 496.626 7.127 50 10 JKGE CC[C@@](C)(C(F)F)[C@@H](Br)c1c(F)cc(Br)c(F)c1Br 2336600450 PEQBRGIPHUKRPF-CMPLNLGQSA-N 470.924 6.607 50 10 JKGE Cc1cc(Br)c(F)c(Br)c1[C@@H](Br)[C@@]12CCCC[C@@H]1C2 2339685890 VTILTZBBRRTJCU-DFKRKDTASA-N 455.003 6.675 50 10 JKGE CN(Cc1ccc(I)c(Br)c1)[C@H]1CCCCC[C@@H]1Cl 2349857924 DAZFSIDJXBQWHN-ZFWWWQNUSA-N 456.593 5.426 50 10 JKGE Cc1cc(Br)c([C@H](Br)[C@@H]2C[C@@H]3O[C@H]2[C@H]2C[C@@H]32)c(C)c1Br 2358672678 AYRGRBZMZIZLOH-LVADQITDSA-N 465.023 5.688 50 10 JKGE Fc1c(Br)cc(Cl)c([C@@H](Br)[C@H]2COC3(CCC3)C2)c1Br 2362232437 OFXNIAXGUIYVHK-HQJQHLMTSA-N 491.420 6.399 50 10 JKGE O=[N+]([O-])c1cc(CBr)ccc1Oc1cc(Br)cc(Br)c1 2364104812 CDJNUOVDFQBFHU-UHFFFAOYSA-N 465.923 5.807 50 10 JKGE Fc1c([C@@H](Cl)c2sc(Cl)cc2I)cccc1C(F)(F)F 2364125302 SHHKOOKAIKMNOC-SECBINFHSA-N 455.041 6.492 50 10 JKGE COc1c(Br)cc(C)c([C@H](Br)C[C@@H]2C[C@@H]2C2CC2)c1Br 2365233512 GATUFZUGFSTELN-QJPTWQEYSA-N 467.039 6.401 50 10 JKGE CCc1cc(Br)c(OC)c([C@@H](Br)c2scc(Br)c2C)c1 2381258239 OVOBNYGCDVKQET-CYBMUJFWSA-N 483.063 6.637 50 10 JKGE CCc1ccc([C@H]2C(C#N)=C(N)N(c3cc(C(F)(F)F)ccc3Cl)C3=C2C(=O)CCC3)s1 6284223 UFSUYHNQWCYTJM-HXUWFJFHSA-N 477.939 6.287 50 10 JKGE C/C(=N\NC(=O)c1ccc(NC(=O)c2ccc(C(C)(C)C)cc2)cc1)c1ccc(Br)cc1 12491905 KQCROFALCRQNNF-STBIYBPSSA-N 492.417 6.153 50 10 JKGE CC[C@@H](C)c1ccc(OCC(=O)NNC(=O)[C@@H](C)Oc2ccc3ccccc3c2)c(Br)c1 14832354 GBRPKVRTVAIGKQ-IAGOWNOFSA-N 499.405 5.110 50 10 JKGE CC(C)(C)c1ccc(/C=C(/C#N)c2nc(-c3cccs3)c(NC(=O)c3ccco3)s2)cc1 15227853 FOFMCKVXCLENHH-VKAVYKQESA-N 459.596 7.079 50 10 JKGE Cc1sc2[nH]c(SCC(=O)N/N=C/c3ccc(C(C)C)cc3)nc(=O)c2c1-c1ccccc1 19646009 FUKRSBVTAXXMKP-LGJNPRDNSA-N 476.627 5.326 50 10 JKGE COc1ccccc1/C(C#N)=C\c1ccc(OC(=O)/C=C/c2ccc(OCc3ccccc3)cc2)cc1 31900731 IHRISZNIWWCUND-HAEAHNRTSA-N 487.555 6.957 50 10 JKGE COc1ccc(/C(C#N)=C\c2ccc(OC(=O)c3ccc(Cl)c(Cl)c3)c(OC)c2)cc1 31902229 CRZYJNOFJLDWBQ-WQRHYEAKSA-N 454.309 6.294 50 10 JKGE N#C/C(=C/c1ccc(-c2ccc(Cl)cc2[N+](=O)[O-])o1)C(=O)Nc1ccc(Cl)cc1[N+](=O)[O-] 33930203 WHXOQSPGWNJGFT-XFFZJAGNSA-N 473.228 5.615 50 10 JKGE N#C/C(C(=O)NCCc1ccccc1)=C1\S[C@H](Cc2ccccc2Cl)C(=O)N1c1ccccc1 33931728 TXBRBMYFUFTBRY-VECHRTTRSA-N 488.012 5.125 50 10 JKGE CCCOc1cccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)[C@H](C)Oc4ccc(F)cc4)ccc32)c1 38684448 ANVFVJYBYRPMBP-MRDQGFSESA-N 488.515 5.206 50 10 JKGE C=CCOc1cccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4ccccc4Cl)ccc32)c1 38684512 QOSYHRQCMXLWFL-DEOSSOPVSA-N 458.901 5.342 50 10 JKGE N#C/C(=C\c1ccc(-c2c(Cl)cccc2Cl)o1)C(=O)Nc1ccc(C(F)(F)F)c(Cl)c1 39884870 VBCXDSUIPZMGMI-DHZHZOJOSA-N 485.676 7.471 50 10 JKGE CCOc1ccc(NC(=S)NNC(=O)c2ccc(-c3cc(C(F)(F)F)ccc3Cl)o2)cc1 39892612 QKKHMHBCBVUJBP-UHFFFAOYSA-N 483.899 5.649 50 10 JKGE Cc1cc(C)cc(Oc2nc3ccccn3c(=O)c2/C=C(\C#N)C(=O)Nc2cc(C)ccc2C)c1 39993038 SGEKPFJRGQCFCW-RCCKNPSSSA-N 464.525 5.266 50 10 JKGE Cc1c(C(=O)Nc2ccc(Br)cc2)oc2c1/C(=N/NC(=O)c1ccc(F)cc1)CCC2 40811945 DQIUXSYQLDVRAI-OVVQPSECSA-N 484.325 5.212 50 10 JKGE Cc1ccc(NC(=O)c2oc3c(c2C)/C(=N/NC(=O)c2ccc(Cl)c([N+](=O)[O-])c2)CCC3)c(C)c1 40813418 NJIXFCAMOZDGQV-TURZUDJPSA-N 494.935 5.489 50 10 JKGE CCCCOc1ccc(/C=C(\C#N)C(=O)Oc2ccc(C(=O)Nc3ccc(C)cc3C)cc2)cc1 40882610 LACSCXFNXLDWHJ-HKOYGPOVSA-N 468.553 6.247 50 10 JKGE O=C(CSc1nc(-c2ccccc2)cs1)N/N=C/c1ccccc1OCc1ccccc1Cl 40924508 TZWRLMALMBGDIJ-MZJWZYIUSA-N 494.041 6.285 50 10 JKGE C[C@@H](Cl)c1nc2cc(I)ccc2n1-c1cccc(Br)c1 97353750 JSHLFESWNWWYHE-SECBINFHSA-N 461.528 5.692 50 10 JKGE CCOc1ccc(N2C(=O)[C@@H](Cc3ccc(C)c(C)c3)S/C2=C(/C#N)C(=O)Nc2ccccc2)cc1 101244719 ZKQNBMJFOHWAGN-SJCFVWOQSA-N 497.620 5.767 50 10 JKGE CCCCCCOC(=O)c1ccccc1N/C=C(/C#N)c1nc(-c2ccc([N+](=O)[O-])cc2)cs1 102421586 QGLSJERJMGXCDX-MNDPQUGUSA-N 476.558 6.432 50 10 JKGE COc1cc(OC)cc([C@@H](Br)c2cc(Br)sc2Br)c1 104040379 SZQYKDXKJWUJLJ-GFCCVEGCSA-N 471.008 5.775 50 10 JKGE COc1c(Br)cc(Cl)cc1[C@@H](Cl)c1csc(I)c1 124381017 LZASIOUBZJCQKC-NSHDSACASA-N 477.976 6.105 50 10 JKGE BrCC(CBr)(Cc1ccc(I)cc1)C1CCCC1 128724888 AOEUAYPHBPVWRA-UHFFFAOYSA-N 486.029 5.800 50 10 JKGE COc1ccc([C@H](Br)c2cc(Br)c(C)cc2Br)cc1OC 128810251 WQGAGQLGGYGYQU-INIZCTEOSA-N 479.006 6.022 50 10 JKGE COc1ccc([C@H](Br)c2cc(Br)c(Br)s2)c(F)c1 128869574 ABHMFNZZVCVFCW-NSHDSACASA-N 458.972 5.905 50 10 JKGE Fc1ccc(Br)cc1[C@H](Br)c1csc2c(Br)cccc12 163505894 RFTFOKMYOJSLQF-AWEZNQCLSA-N 479.006 7.050 50 10 JKGE Fc1cc(Br)ccc1[C@@H](Br)c1csc2c(Br)cccc12 163510162 XPKPOKYYAIXMFB-CQSZACIVSA-N 479.006 7.050 50 10 JKGE CCCCNC(=O)/C(C#N)=C/c1ccc(OC(=O)/C(=C\c2ccccc2)c2ccccc2)cc1 207112767 LFOYVVQNSYDWOB-JMPRAYIYSA-N 450.538 5.656 50 10 JKGE CCOc1ccc(C)cc1[C@@H](C)NC(=O)/C(C#N)=C\Nc1ccc(Cl)c(C(F)(F)F)c1 217184584 XTRRIIJRACWSHV-QAALXFNPSA-N 451.876 5.763 50 10 JKGE N#C/C(=C/N1CCN(Cc2ccccc2)CC1)C(=O)Nc1ccccc1Sc1ccccc1 217243533 OMZXBGYLRYNTJW-LNVKXUELSA-N 454.599 5.002 50 10 JKGE COc1ccc(Br)cc1[C@@H](Br)c1cccc(Br)c1Cl 228451695 XWAFCBBHJUCYRP-ZDUSSCGKSA-N 469.398 6.358 50 10 JKGE CC[C@H](Br)c1nnc(-c2cc(I)ccc2Br)s1 233989130 NJDOUGLDSBQRDS-QMMMGPOBSA-N 487.986 5.418 50 10 JKGE CCCCOc1ccc(C=NNC(=O)c2cc(-c3ccc(C(C)C)cc3)nc3ccccc23)cc1 252615829 JVOXCDOKTKHDKE-UHFFFAOYSA-N 465.597 6.968 50 10 JKGE COc1ccc2c(Cl)c(C(=O)NN=C(C)c3ccc(NC(=O)C(F)(F)F)cc3)sc2c1 254555531 XFISDDGUZGQHEU-UHFFFAOYSA-N 469.872 5.218 50 10 JKGE CCN(C[C@@](C)(CBr)OCc1ccc(Br)cc1)C(=O)OC(C)(C)C 303741095 GEJFSCCXJXTAHO-GOSISDBHSA-N 465.226 5.376 50 10 JKGE Cc1cccc(Br)c1[C@@H](Cl)c1cc(Br)sc1Br 310374468 YZJPDQGVOGBZEF-NSHDSACASA-N 459.428 6.672 50 10 JKGE COc1cc(Cl)c([C@H](Br)c2sccc2I)cc1OC 311779410 XCCMQXGTLJBYFL-LBPRGKRZSA-N 473.557 5.508 50 10 JKGE Fc1ccc([C@@H](Br)c2cc(I)cc3c2OCC3)cc1Cl 380146893 WLWRMMWZBAIGDC-CQSZACIVSA-N 467.503 5.503 50 10 JKGE Cc1ccc([C@@H](Cl)c2cc(I)cc3c2OCC3)cc1Br 380253246 OETQKOCVKBOCGR-OAHLLOKOSA-N 463.540 5.625 50 10 JKGE Cc1cccc([C@@H]2CN(C(=O)OCc3ccccc3)C[C@@H]2CBr)c1Br 382722875 OKUHFQXVUDVBDD-FUHWJXTLSA-N 467.201 5.505 50 10 JKGE O=[N+]([O-])c1cccc(Oc2cccc(Br)c2CBr)c1Br 394749165 MMICTNKJQODIES-UHFFFAOYSA-N 465.923 5.807 50 10 JKGE C[C@H](Br)CC(C)(C)CNC(=O)c1scc(Br)c1Br 705438059 JPCHEZMXSWTOQM-ZETCQYMHSA-N 462.045 5.203 50 10 JKGE Fc1cc2nc(CCl)n(CC3(N(Cc4ccccc4)Cc4ccccc4)COC3)c2cc1Cl 705611315 RCZGAQMNEWRNMJ-UHFFFAOYSA-N 484.402 6.039 50 10 JKGE BrCc1cc(Br)c(OC[C@@H]2C[C@H]3CCC[C@H]3O2)c(Br)c1 720793342 IOEJAPGUYFJEJJ-UHIISALHSA-N 469.011 5.443 50 10 JKGE COc1ccc(F)cc1[C@@H](Cl)c1ccc(I)c(Br)c1 721607342 YLMJQFRMPGLUHV-AWEZNQCLSA-N 455.492 5.530 50 10 JKGE Fc1cccc([C@@H](Br)Cc2ccc(Br)cc2)c1I 721733545 ZKPHRYAAIOLDJZ-LBPRGKRZSA-N 483.944 5.872 50 10 JKGE O=C(Nc1ccccc1C(=O)NN=Cc1cccc2ccccc12)c1ccccc1Br 1083916911 BDENKURHSQROJQ-UHFFFAOYSA-N 472.342 5.619 50 10 JKGE C=CCc1cc(/C=C(\C#N)C(=O)Nc2cccc(Cl)c2Cl)cc(OC)c1OCC(=O)OCC 1084155562 UFXRRYMRDOGXIF-GZTJUZNOSA-N 489.355 5.218 50 10 JKGE CCOc1cc(C=NNC(=O)c2ccc(NC(=O)C(C)(C)C)cc2)ccc1OC(=O)c1ccccc1 1084524008 LBZJWYIMMMVRLP-UHFFFAOYSA-N 487.556 5.053 50 10 JKGE CCOc1cc(C=NNC(=O)c2ccc(-n3c(C)ccc3-c3ccccc3)cc2)c(Cl)cc1OC 1084585317 NADWTLQQCZGUMF-UHFFFAOYSA-N 487.987 6.277 50 10 JKGE CCOP(=O)(OCC)/C(C#N)=C\[C@H]1[C@H](C(=O)OCc2cccc(Oc3ccccc3)c2)C1(C)C 1614949780 NTKWPTWFPNTXBE-NYGIBDDFSA-N 483.501 6.468 50 10 JKGE O=C(N/N=C(/CNC(=O)Oc1ccccc1)c1cccc(F)c1)Nc1ccc(OC(F)(F)F)cc1 1615948791 BWOZIRFRCVOSHZ-COEJQBHMSA-N 490.413 5.039 50 10 JKGE COc1cc(C=NNC(=O)c2ccc(C(C)(C)C)cc2)ccc1OCc1c(Cl)cccc1Cl 1772753416 CZPQTWUKIVYVHG-UHFFFAOYSA-N 485.411 6.642 50 10 JKGE CC(C)[C@H]1CC[C@@H](C)C[C@H]1OC(=O)[C@H](C)Oc1cccnc1NC(=O)Nc1ccc(SC#N)cc1 1858866933 ZUORVCKFPIOEJL-NNTZPNAXSA-N 496.633 6.070 50 10 JKGE CC(C)c1ccc([C@H]2C(C#N)=C(N)Oc3c2c(C(F)(F)F)nn3-c2ccc(Cl)cc2)cc1 1865685754 MGXBROHOUVALMM-SFHVURJKSA-N 458.871 5.886 50 10 JKGE CCCn1nc(C(F)(F)F)c2c1OC(N)=C(C#N)[C@H]2c1ccc(OCc2ccccc2)c(OC)c1 1865687107 JOEPQCQYWRTPKJ-HXUWFJFHSA-N 484.478 5.118 50 10 JKGE CCCc1nn(Cc2ccc(F)cc2)c2c1[C@@H](c1ccc(OCC)c(OCC)c1)C(C#N)=C(N)O2 1865689780 WMVSRUNFHFOMBB-DEOSSOPVSA-N 476.552 5.039 50 10 JKGE C=CCOc1ccccc1[C@@H]1C(C#N)=C(N)Oc2c1c(CCC)nn2Cc1ccccc1Cl 1865691126 JZPXFTFBSWAIIL-HSZRJFAPSA-N 460.965 5.320 50 10 JKGE CCN(CC)c1ccc([C@@H]2C(C#N)=C(N)Oc3c2c(-c2ccccc2)nn3Cc2ccc(C)cc2)cc1 1865702260 QXWLZQLGZPWUPI-HHHXNRCGSA-N 489.623 5.971 50 10 JKGE CCn1nc(-c2ccccc2)c2c1OC(N)=C(C#N)[C@H]2c1ccccc1OCc1ccccc1Cl 1865702963 JLYRWNCYUUWRFM-XMMPIXPASA-N 482.971 6.021 50 10 JKGE CCCc1nn(Cc2cccc(Cl)c2)c2c1[C@H](c1ccccc1OC(C)C)C(C#N)=C(N)O2 1865705244 PGLHGCJDYVEWRH-HSZRJFAPSA-N 462.981 5.543 50 10 JKGE COc1cc([C@@H]2C(C#N)=C(N)Oc3c2c(C)nn3-c2ccc(Cl)c(Cl)c2)cc(Cl)c1O 1865707534 YVVCEAXOJFZHEA-GOSISDBHSA-N 477.735 5.073 50 10 JKGE N#CC1=C(N)Oc2c(c(C(F)(F)F)nn2-c2ccc(Cl)cc2)[C@H]1c1ccc(Br)cc1 1865714694 NRCQQNFKWIBMKN-HNNXBMFYSA-N 495.686 5.525 50 10 JKGE CCCC[C@H](NC(=O)C[C@@H](c1ccc(C)c(C)c1)C1CC1)C(=O)Nc1ccc(SC#N)cc1 1866723102 BHGNQEYWDVIWSA-RPBOFIJWSA-N 463.647 6.074 50 10 JKGE CCc1nc(Nc2ccc(SC#N)cc2)cc(N2CCc3cc(OC)c(OC)cc3[C@H]2C(C)C)n1 1868278300 ZOCZBXMJROIIFO-HHHXNRCGSA-N 489.645 6.133 50 10 JKGE CCCN(CCCN(C)C)c1cc(Nc2ccc(SC#N)cc2)nc(-c2ccccc2Cl)n1 1868414110 IZLZTNUCRVVASI-UHFFFAOYSA-N 481.069 6.282 50 10 JKGE CCN(CC)c1ccc(/C=C2\Oc3cc(OCc4ccc(CCl)cc4)cc(C)c3C2=O)cc1 1871437095 XXVHTYBHMRREEB-YSMPRRRNSA-N 461.989 6.775 50 10 JKGE COc1cc(OC)cc(/C(O)=C(\C#N)c2nc(-c3cc(C(C)(C)C)ccc3OC)cs2)c1 1872751500 KTRUGSPIJCYIHB-ATJXCDBQSA-N 450.560 6.083 50 10 JKGE CCOc1ccccc1OC/C(O)=C(\C#N)c1nc(-c2cc(C(C)C)c(OC)cc2C)cs1 1872753609 GDAZNVFYRYCQNG-XDOYNYLZSA-N 464.587 6.521 50 10 JKGE N#C/C(=C\c1cc(Br)cc(Br)c1O)c1nc(-c2ccc(Cl)cc2)cs1 1872790274 WXTITVTYYGQHAQ-LFYBBSHMSA-N 496.611 6.758 50 10 JKGE COc1ccc(C)cc1-c1csc(/C(C#N)=C(\O)c2cc([N+](=O)[O-])c(C)c([N+](=O)[O-])c2)n1 1873920538 HZJQPGNFZAGDDS-HKWRFOASSA-N 452.448 5.202 50 10 JKGE C[C@@](F)(COc1c(Br)cc(CBr)cc1Br)C(F)(F)F 1876596860 HFTSLMLWTSLYIE-SNVBAGLBSA-N 472.896 5.776 50 10 JKGE BrCC(CBr)(Cc1sccc1I)C1CCC1 1901017029 UYIRHZHKSLMJHQ-UHFFFAOYSA-N 478.031 5.472 50 10 JKGE C[C@H](CCBr)N(Cc1ccccc1)C(=O)c1ccc2cc(Br)ccc2c1 1915091452 XOQDDTIVXMKSOR-MRXNPFEDSA-N 475.224 6.418 50 10 JKGE Cc1sc(Br)cc1S(=O)(=O)N(Cc1ccccc1)[C@@H](CCl)C(C)C 1915276753 TZMSLCXRKNUXBU-HNNXBMFYSA-N 450.851 5.273 50 10 JKGE Cc1c(Br)sc([C@H](Br)[C@@H]2Cc3ccccc32)c1Br 1922944893 ANXRLQFJXHNGGY-ZYHUDNBSSA-N 451.021 6.357 50 10 JKGE Clc1cccc(C[C@H](Br)c2c(Br)sc(Br)c2Cl)c1 1923055786 YULWTVKBEZTQFY-QMMMGPOBSA-N 493.873 7.259 50 10 JKGE Clc1cc([C@@H](Br)c2c(Br)sc(Br)c2Cl)cs1 1923074320 KDHCNBBEGCDBNB-ZCFIWIBFSA-N 485.875 7.126 50 10 JKGE CC(C)C1([C@H](Cl)c2c(Br)sc(Br)c2Br)CC1 1924608002 BXYRTGHFUWDPAF-MRVPVSSYSA-N 451.449 6.752 50 10 JKGE C[C@@H]1CC[C@@](C)([C@H](Cl)c2c(Br)sc(Br)c2Br)C1(C)C 1924609387 WWPZEKVUEKRHGS-LXORQNMDSA-N 493.530 7.778 50 10 JKGE Cc1cccc([C@H](Br)c2c(Cl)sc(Cl)c2Cl)c1I 1925589250 SKELFPFNJJVAGS-QMMMGPOBSA-N 496.422 7.106 50 10 JKGE CCc1cc(Br)c([C@H](Br)c2ccc(I)cc2)s1 1942101522 KLIHGZIFPKDNEE-GFCCVEGCSA-N 486.010 6.162 50 10 JKGE CC[C@@H](Br)c1cn(-c2ccc(Cl)c(I)c2Cl)nn1 2032957446 YQRUGDRTPAOGFM-ZCFIWIBFSA-N 460.928 5.025 50 10 JKGE Clc1c(Br)ccc(CBr)c1N1C[C@@H]2CC[C@H](C1)N2Cc1ccccc1 2036847688 KBXLVBFKKVSRLE-CALCHBBNSA-N 484.663 5.851 50 10 JKGE COc1cc(C=C(C#N)C(=O)c2c(C)[nH]c3ccccc23)ccc1OS(=O)(=O)c1ccc(C)cc1 2042446210 ZJTZFUXHGULKNF-UHFFFAOYSA-N 486.549 5.351 50 10 JKGE Cl[C@@H](c1cc(Br)cs1)c1cc(I)cc2c1OCC2 2052438617 WMVGLUPKTJAVDC-GFCCVEGCSA-N 455.542 5.378 50 10 JKGE Cc1nn(C)c(Br)c1[C@H](Br)c1sc(C)c(Br)c1C 2065890323 LDBKWIGEPPRCJC-JTQLQIEISA-N 457.029 5.416 50 10 JKGE Cc1ccc(CC(CBr)(CBr)c2ccccc2Br)o1 2087975899 UJMSHBAOPHXZCC-UHFFFAOYSA-N 450.996 5.621 50 10 JKGE CC(C)(CC(CBr)(CBr)c1ccccc1Br)C(F)F 2089064258 FIAVPLWEURPNCM-UHFFFAOYSA-N 462.998 6.158 50 10 JKGE BrCCC1(NCc2cccc(Br)c2Br)CCSCC1 2092327447 AVMFOWHTFWSKQX-UHFFFAOYSA-N 472.084 5.352 50 10 JKGE C[C@@H]1CO[C@@H](CC(CBr)(CBr)c2ccccc2Br)C1 2110069497 YKFKQIREHZIUBH-NWDGAFQWSA-N 455.028 5.292 50 10 JKGE Cc1cc(Br)c(NC(=O)[C@@H](Br)C2CCCC2)c(Br)c1 2110723460 OBNZLTBPRBMHNF-LBPRGKRZSA-N 454.000 5.412 50 10 JKGE CO[C@@H]1CC([C@H](Cl)c2c(Br)sc(Br)c2Br)C[C@H]1OC 2118265878 CSBKHDOZLWIBPG-XSSZXYGBSA-N 497.474 5.756 50 10 JKGE CCCN[C@H](c1c(C)c(Br)cc(C)c1Br)[C@H]1C[C@@H]1Br 2136365191 VQVLWPGNYJNQEE-WBIUFABUSA-N 454.044 5.653 50 10 JKGE Cc1c(Br)ccc([C@H](Br)[C@@H]2C[C@@H]3CCCC[C@@H]32)c1Br 2138864586 ORYZSXYMQDXZCB-NLZNIHBBSA-N 451.040 6.782 50 10 JKGE CC[C@H]1CC[C@H]([C@H](Br)c2ccc(Br)c(C)c2Br)CC1 2138875144 CDPCACWVRJZZOO-MKBNYLNASA-N 453.056 7.172 50 10 JKGE CC1(C)COc2c([C@H](Br)c3sncc3Br)cc(Br)cc21 2145178949 PGWJZPGMYRREDR-NSHDSACASA-N 482.035 5.822 50 10 JKGE C[C@@H](Cl)c1nc2cc(F)c(Br)cc2n1C1(CCOCc2ccccc2)CC1 2146507715 PTUWWJLDWOKBMX-CQSZACIVSA-N 451.767 6.334 50 10 JKGE C[C@H]1Cc2cc([C@H](Br)c3ccccc3OCc3ccccc3)cc(Br)c2O1 2146624795 DPUKPZPGOYKFBB-NYHFZMIOSA-N 488.219 6.836 50 10 JKGE Brc1scc([C@@H](Br)c2ccc3c(c2)OCCCO3)c1Br 2150342815 ZHFCXNMZSCGQEU-LBPRGKRZSA-N 483.019 5.919 50 10 JKGE CCCOc1ccc([C@@H](Br)c2scc(Cl)c2Cl)cc1Br 2152523603 OYXLAULRFHCTCT-GFCCVEGCSA-N 459.030 7.091 50 10 JKGE Fc1cc2c(cc1Br)nc(CCl)n2[C@H]1CCCN(Cc2ccccc2)CC1 2160561900 XKXFAHARPWHOJT-INIZCTEOSA-N 450.783 5.904 50 10 JKGE CC(C)(C)OC(=O)Nc1ccc(NS(=O)(=O)c2ccc(CBr)cc2)c(Cl)c1 2162590236 ZGUOWYDHDSFUCB-UHFFFAOYSA-N 475.792 5.383 50 10 JKGE BrCc1c(Br)cccc1N1CCC[C@]2(CCCN(Cc3ccccc3)C2)C1 2163307275 PPGNEBDPJYXZSQ-QHCPKHFHSA-N 492.299 6.227 50 10 JKGE Cl[C@H]1[C@@H](CNc2ncc(I)cc2Br)CCCC12CCC2 2189906706 KJABIPXEEFQJKY-MFKMUULPSA-N 469.592 5.438 50 10 JKGE COc1ccc([C@@H](Br)c2c(C)c(Br)cc(C)c2Br)cc1 2201073620 NKHYZYADEFKHOQ-MRXNPFEDSA-N 463.007 6.321 50 10 JKGE COc1cccc(OCc2ccc(I)c(Cl)c2)c1CBr 2208037426 WOKLCYDKPVRYMI-UHFFFAOYSA-N 467.528 5.427 50 10 JKGE COc1cc(CCl)cc(Br)c1OC[C@@H]1CC1(Br)Br 2217993719 ARBKIVPONWNJCC-QMMMGPOBSA-N 463.391 5.081 50 10 JKGE Cc1cc([C@@H](Br)c2cc(Br)c(Br)cc2F)sc1Cl 2218604308 UTOICCBGMZPJMX-NSHDSACASA-N 477.418 6.858 50 10 JKGE Fc1ccc(Cl)c(F)c1[C@H](Br)c1cc(Br)sc1Br 2219407224 CEUSIKRCXMRMQQ-SECBINFHSA-N 481.381 6.689 50 10 JKGE Cc1c(F)ccc([C@@H](Br)c2cc(Br)sc2Br)c1F 2223262183 AFHRLHJDSIYTDQ-SNVBAGLBSA-N 460.963 6.344 50 10 JKGE FCC12CC([C@@H](Br)c3cc(Br)c(Br)cc3F)(CO1)C2 2225617036 LMBOPOFFTGBTRY-HIFPTAJRSA-N 460.938 5.305 50 10 JKGE CCc1nn(C)c([C@H](Br)c2sc(Br)c(C)c2C)c1Br 2225848349 OYOMVBIKYWKYGO-JTQLQIEISA-N 471.056 5.670 50 10 JKGE Cc1cc(Br)c([C@H](Br)[C@@H](C)CC(F)(F)F)c(C)c1Br 2227354968 LMPZIILLJATBAR-JVXZTZIISA-N 466.961 6.853 50 10 JKGE Cc1csc([C@@H](Br)c2c(Br)cc(C)c(Br)c2C)c1C 2227363257 VZDJCUWMIIBZBW-AWEZNQCLSA-N 467.064 6.991 50 10 JKGE Cc1cc(Br)c([C@H](Br)[C@H]2CC3(CCC3)CO2)c(C)c1Br 2235600724 RVQUAVSTILBCTM-IUODEOHRSA-N 467.039 6.224 50 10 JKGE Cc1cc(Br)c([C@@H](Br)C[C@H](C)CC(C)(C)C)c(C)c1Br 2235605771 ULCSJWMGFCQOTL-GWCFXTLKSA-N 469.099 7.727 50 10 JKGE Cc1cc(Br)c([C@@H](Br)C23CCCC2CCC3)c(C)c1Br 2235608093 ILRGNZYYFDCHAB-PTXATLKXSA-N 465.067 7.235 50 10 JKGE Cc1ccc([C@@H](Br)c2ccc(Br)c(C)c2Br)c(F)c1F 2239599810 NJTGUGXUDKMAGP-ZDUSSCGKSA-N 468.961 6.591 50 10 JKGE Cc1cc([C@H](Br)c2cc(F)c(Br)cc2Cl)sc1Br 2255967398 FNYWSKZITBZIAF-LLVKDONJSA-N 477.418 6.858 50 10 JKGE Clc1ccc([C@@H](Cl)Cc2ccc(Br)cc2Cl)cc1I 2268316097 LZVVVCRPZDCDLD-LBPRGKRZSA-N 490.393 6.883 50 10 JKGE Fc1cc(Br)c(F)c(Br)c1[C@@H](Br)C1CC2(COC2)C1 2272839535 GQUQHOWKKFVMRV-JTQLQIEISA-N 460.938 5.352 50 10 JKGE Clc1cccc([C@H](Br)c2cc3sc(Br)cc3s2)c1Cl 2278016745 CCUJKBSUBAMGCE-LBPRGKRZSA-N 457.039 7.516 50 10 JKGE COc1ccc([C@H](Br)[C@@]2(C)CC[C@@H](C)C2(C)C)cc1I 2285012372 VDKQVPSXSACBMU-XQAQDONZSA-N 451.186 6.198 50 10 JKGE COc1ccc([C@@H](Br)c2cccc(Br)c2Br)c(OC)c1 2287084974 VJNONKOPMFAZBP-CQSZACIVSA-N 464.979 5.713 50 10 JKGE CC(C)C[C@H](C(C)C)[C@H](Br)c1c(F)cc(Br)c(F)c1Br 2288373861 NGEZCDVIAQQDBL-RNCFNFMXSA-N 477.025 7.244 50 10 JKGE N#CC(=Cc1ccc([N+](=O)[O-])cc1)C(=O)Nc1nc(-c2ccc(Br)cc2)cs1 2293606208 LMYNNBYHBSSHHI-UHFFFAOYSA-N 455.293 5.026 50 10 JKGE COc1ccc([C@H](Br)Cc2ccc(Cl)c(F)c2)cc1I 2295289444 HWFBHVAQVKVWRY-LLVKDONJSA-N 469.519 5.771 50 10 JKGE Cc1ccc(NC(=O)C(C#N)=Cc2c(Oc3ccc(C(C)(C)C)cc3)nc3ccccn3c2=O)cc1C 2296719437 RIXWXZYQAKYKSH-UHFFFAOYSA-N 492.579 5.947 50 10 JKGE Cc1ccccc1NC=C(C#N)c1nc(-c2cc3cc(Br)ccc3oc2=O)cs1 2296751263 FYHSZIZWPCTHRI-UHFFFAOYSA-N 464.344 5.964 50 10 JKGE N#CC(=CNc1cccc(Br)c1)c1nc(-c2ccc(Cl)cc2Cl)cs1 2297321226 MDYVXBXKMWLEIK-UHFFFAOYSA-N 451.176 6.856 50 10 JKGE COc1ccc(-c2csc(C(C#N)=CNc3ccc([N+](=O)[O-])cc3Br)n2)cc1 2297321296 PKRKGZJFTNZEKP-UHFFFAOYSA-N 457.309 5.466 50 10 JKGE COc1ccc2nc(C(C#N)=Cc3cc(OC)c(OCc4ccccc4)cc3Br)[nH]c2c1 2297377796 GPULUTWEVNPAJC-UHFFFAOYSA-N 490.357 5.986 50 10 JKGE N#CC(=Cc1ccc(Cl)cc1Cl)C(=O)Nc1nc2c(s1)CCN(Cc1ccccc1)C2 2297399298 PLCNJWRRFNSLLQ-UHFFFAOYSA-N 469.397 5.554 50 10 JKGE Cc1nc([C@H](Cl)c2ccc(OCc3ccccc3)cc2Br)c(Br)s1 2299520848 CSELPKDEDGZCSR-MRXNPFEDSA-N 487.644 6.884 50 10 JKGE Brc1ccc(OCc2ccccc2)c([C@H](Br)C[C@@H]2CC[C@H]3C[C@@H]23)c1 2299531487 WNGKYMSEXDDVNQ-JSFADZTLSA-N 450.214 6.900 50 10 JKGE CC1CC(CBr)(CSc2cc(I)ccc2Br)C1 2300793241 UYILUGCHAVRRRB-UHFFFAOYSA-N 490.042 5.957 50 10 JKGE Clc1cc(I)c([C@H](Br)c2cc3cscc3s2)s1 2301085783 HXAUUPCQOQIFGB-SNVBAGLBSA-N 475.623 6.767 50 10 JKGE Cc1sc([C@@H](Cl)c2c(Br)c(Br)nn2C)cc1Br 2301119501 SMSBMBAAFWFUDZ-MRVPVSSYSA-N 463.420 5.406 50 10 JKGE N#CC(=Cc1ccc(-c2ccc(Cl)cc2Cl)o1)C(=O)Nc1ccc(C(F)(F)F)c(Cl)c1 2314571795 MCDXUEGVKQNXLT-UHFFFAOYSA-N 485.676 7.471 50 10 JKGE CCc1ccc(C[C@@H]2SC(=C(C#N)C(=O)NCc3ccccc3)N(c3ccc(C)c(C)c3)C2=O)cc1 2314593970 WQUKJKLQUOEWNL-MHZLTWQESA-N 495.648 5.609 50 10 JKGE COc1cc(C=C2C(=O)N(Cc3ccco3)C(=O)C(C#N)=C2C)ccc1OCc1ccccc1Cl 2314617998 FNXQKEYMLLXIQV-UHFFFAOYSA-N 488.927 5.313 50 10 JKGE COc1cc(C=C(C#N)c2ccccc2)ccc1OC(=O)c1ccccc1CCc1ccccc1 2314720049 BUYJQDGLAUJYJA-UHFFFAOYSA-N 459.545 6.764 50 10 JKGE Fc1c(Br)cc(Cl)c([C@@H](Br)[C@H]2[C@H]3COC[C@H]32)c1Br 2315453852 QPGDYKWVJVTVMI-DDAZSXFFSA-N 463.366 5.333 50 10 JKGE FC(F)c1cccc([C@H](Br)c2sc(Cl)cc2I)c1 2316657894 CPEZILAGIYUEQM-JTQLQIEISA-N 463.512 6.428 50 10 JKGE COc1ccc(C=C(C(=O)NNC(=O)c2ccc(-c3ccc(F)c(F)c3)nc2C)c2ccccc2)cc1 2321075500 MUTMWDLLBXOOMW-UHFFFAOYSA-N 499.517 5.346 50 10 JKGE Clc1c(Br)ccc(CBr)c1N1CC[C@@H]2CC[C@H](C1)N2Cc1ccccc1 2328932386 OTMDLNKNGXTWRV-ZWKOTPCHSA-N 498.690 6.241 50 10 JKGE N#CC(=C(O)c1c(Cl)ccc(Cl)c1Cl)c1nc(-c2ccc(Cl)cc2Cl)cs1 2331254779 ZHBNCHDBMOQBDC-UHFFFAOYSA-N 476.599 8.027 50 10 JKGE Cc1cc(OCC(O)=C(C#N)c2nc(-c3ccc(Br)cc3)cs2)ccc1Cl 2331260474 MKMRVXCEOYKGMJ-UHFFFAOYSA-N 461.768 6.406 50 10 JKGE N#CC(=C(O)Cc1ccc(OCc2ccccc2)cc1)c1nc(-c2ccc3c(c2)OCCO3)cs1 2331330012 KFKBXKJBGADFPT-UHFFFAOYSA-N 482.561 6.196 50 10 JKGE COc1ccc(-c2csc(C(C#N)=C(O)[C@H](C)Oc3ccccc3C(C)C)n2)c(OC)c1 2331385448 DYVJDULUURGYOL-INIZCTEOSA-N 450.560 6.211 50 10 JKGE COc1cccc(C=C(C#N)c2nc(-c3cc(C)ccc3C)cs2)c1OCc1cccc(C)c1 2331445721 GAQVACYNXBVWKZ-UHFFFAOYSA-N 466.606 7.387 50 10 JKGE COc1c(Cl)cc(Cl)cc1-c1csc(C(C#N)=Cc2cc(Br)ccc2O)n1 2331467546 CBAJKYKXTCBYAJ-UHFFFAOYSA-N 482.186 6.658 50 10 JKGE Cc1cc(Br)c(C)c([C@@H](Br)[C@@H]2CCC[C@@H]3C[C@@H]32)c1Br 2332925206 BEDLUSKKYBAFCB-YMEQNVIZSA-N 451.040 6.701 50 10 JKGE Cc1cc(Br)c([C@@H](Br)[C@@]23CCOC[C@@H]2C3)c(C)c1Br 2333708713 NXOGXEFSWXIXAR-COLVAYQJSA-N 453.012 5.691 50 10 JKGE Fc1cc(Cl)c(Br)c(Cl)c1[C@H](Cl)c1ccccc1I 2335361202 NXIXVRGPFLRLRA-GFCCVEGCSA-N 494.356 6.828 50 10 JKGE Brc1cc2c(c([C@@H](Br)c3cnsc3Br)c1)OCCC2 2337306589 WASSNFKMJJDFHB-LLVKDONJSA-N 468.008 5.477 50 10 JKGE COc1c(Br)cc(C)c([C@H](Br)[C@H](C)C(C)(F)F)c1Br 2339690835 LEHOGBBYAFHBPU-OIBJUYFYSA-N 464.970 6.256 50 10 JKGE CC(C)c1cccc([C@H](Cl)c2c(Br)sc(Br)c2Br)c1 2343657805 OEHDKXNAJUGWDH-LBPRGKRZSA-N 487.482 7.487 50 10 JKGE CC(C)CC(CC(C)C)O[C@@H](CI)c1ccc(Br)cc1 2360347207 QPCIGRILIHYNLG-KRWDZBQOSA-N 453.202 6.403 50 10 JKGE CC1(C)[C@H]2CO[C@]1([C@H](Br)c1c(Cl)cc(Br)c(F)c1Br)C2 2362224399 QFICGSUVMUZOJM-PTHHYDLGSA-N 491.420 6.255 50 10 JKGE Fc1c(Br)cc(Cl)c([C@H](Br)[C@H]2CC23CCCCC3)c1Br 2362227557 GUPJEIKEBXJYBO-PRHODGIISA-N 489.448 7.411 50 10 JKGE C[C@]12C[C@H](C1)[C@H](COc1c(Br)cc(CBr)cc1Br)CO2 2363022761 YUEVCFPXMKUEHH-HFAKWTLXSA-N 469.011 5.300 50 10 JKGE CCCc1sc(Br)cc1[C@@H](Br)c1cc2c(s1)CCSC2 2363269781 WFIBABDQGNZWND-OAHLLOKOSA-N 452.302 6.798 50 10 JKGE Cc1cc(Br)c(F)c(Br)c1[C@H](Br)[C@H]1CC[C@H]2C[C@H]1CO2 2365189945 ZURMQUKFYNYGSB-AVWBDOJWSA-N 471.002 5.910 50 10 JKGE COc1c(Br)cc(C)c([C@H](Br)[C@@H]2CC[C@@H]3C[C@@H]3C2)c1Br 2365235029 KMAXLZNMOGEHJZ-ZHSDAYTOSA-N 467.039 6.401 50 10 JKGE CCCC1CCC(CI)(OCc2cccc(I)c2)CC1 2367341796 BFCGOMUMCGDUES-UHFFFAOYSA-N 498.186 5.972 50 10 JKGE COCc1ccc([C@@H](Br)c2c(Br)cc(Cl)c(Cl)c2Cl)s1 2368082570 LZOBOXPOLASNKY-LLVKDONJSA-N 479.448 7.102 50 10 JKGE COc1c(CCl)cccc1OCc1ccc(I)c(Br)c1 2377254962 PAYNMERHUALJIR-UHFFFAOYSA-N 467.528 5.380 50 10 JKGE Cc1cc(Br)c(C(C)C)cc1[C@H](Br)c1cc(Br)oc1C 2380948185 ZFLIKCQJFGTSOW-INIZCTEOSA-N 465.023 7.029 50 10 JKGE N#C/C(=C/c1ccccc1)C(=O)Oc1ccc2c(=O)c(Oc3ccccc3Br)coc2c1 1788403 RUZDPAAHJNNLGM-ATVHPVEESA-N 488.293 5.860 50 10 JKGE C[C@@H](Oc1ccc(Cl)cc1Cl)C(=O)NNC(=O)CCCOc1ccc(Cl)cc1Cl 12578399 WQSHXRBMILPMBL-LLVKDONJSA-N 480.175 5.074 50 10 JKGE Cc1ccc(-c2nn(-c3ccccc3)cc2/C=C(\C#N)C(=O)Nc2cccc(C(F)(F)F)c2)o1 15906801 AVCVHCRGXNYZJX-SFQUDFHCSA-N 462.431 6.005 50 10 JKGE C=CCOc1ccc(Br)cc1/C=N/NC(=O)[C@@H](C)Oc1ccc2ccccc2c1 20311301 OTDJAOQLPPFTRH-FYHAJLKWSA-N 453.336 5.085 50 10 JKGE N#C/C(C(=O)NCc1ccccc1)=C1\S[C@@H](Cc2ccccc2Cl)C(=O)N1c1ccc(F)cc1 33733426 YTLAZWZDDLPCTO-CTHAODRQSA-N 491.975 5.222 50 10 JKGE O=C(NNC(=O)c1ccccc1F)c1ccc2nc(-c3ccccc3)c(-c3ccccc3)nc2c1 33809157 FHTRTZDZAGVYGF-UHFFFAOYSA-N 462.484 5.178 50 10 JKGE N#CC1=C(N)Oc2cc(OC(=O)Cc3ccc(Cl)cc3)ccc2[C@H]1c1cccc(Br)c1 38651553 WWFJAFPIFRJKSO-HSZRJFAPSA-N 495.760 5.469 50 10 JKGE O=C(NNc1ncnc(Sc2cccc3cccnc23)c1[N+](=O)[O-])c1ccc(Cl)cc1Cl 40658850 LXLOBDOPAFYRIJ-UHFFFAOYSA-N 487.328 5.148 50 10 JKGE CC(C)(C)c1cc(Br)ccc1OCC(=O)N/N=C/c1c(Cl)cccc1Cl 40902893 DNGMMUAACLICFW-AUEPDCJTSA-N 458.183 5.583 50 10 JKGE CCOC(=O)/C(C#N)=C/c1ccc(OC(=O)CCCOc2ccc(C(C)(C)CC)cc2)c(OCC)c1 54624839 AMQJGLZCAIVOKT-RELWKKBWSA-N 493.600 6.008 50 10 JKGE Cc1ccc(NC(=O)/C(C#N)=C\c2cn(Cc3ccc(Br)cc3)c3ccccc23)cc1 59117698 HFNDHUCLYHSTQC-ZHZULCJRSA-N 470.370 6.306 50 10 JKGE O=C(CSCc1ccccc1)N/N=C1/C(=O)N(C(c2ccccc2)c2ccccc2)c2ccccc21 59167547 PUFNUKVWRNDXLD-VEWQFJOQSA-N 491.616 5.577 50 10 JKGE COc1ccc([C@@H](Br)c2cc(F)c(Br)cc2F)cc1Br 70474544 PPDJZJXXTWGIRX-CQSZACIVSA-N 470.933 5.983 50 10 JKGE CCc1ccc(N2C(=O)[C@H](Cc3cccc(C)c3)S/C2=C(/C#N)C(=O)N[C@H](C)c2ccccc2)cc1 101242837 SEARXAHBGBJZDZ-UVGSMNACSA-N 495.648 5.861 50 10 JKGE CCOc1ccc(N2C(=O)[C@@H](Cc3ccc(C)cc3)S/C2=C(/C#N)C(=O)Nc2cccc(C)c2)cc1 101245686 PAFBMJCIVDYWPY-SJCFVWOQSA-N 497.620 5.767 50 10 JKGE CCOc1ccc(N/C=C(\C#N)c2nc(-c3cc4c(ccc5ccccc54)oc3=O)cs2)cc1 102407013 KJRPLFSSMBRCBD-OBGWFSINSA-N 465.534 6.445 50 10 JKGE N#C/C(=C\c1ccc(Cl)c(Cl)c1)c1ccc(/C(C#N)=C\c2ccc(Cl)c(Cl)c2)cc1 108599517 FFYJSNGBGREIBE-KFSYKRRRSA-N 470.186 8.429 50 10 JKGE O=C(C1CC1)[C@H](Br)Cc1c(Br)cc(Br)cc1Br 110163199 XCZLXFLSAQQGLK-LLVKDONJSA-N 489.827 5.259 50 10 JKGE ClCC(CCl)(Cc1ccc(I)cc1)c1ccccc1Br 118874984 GFSRMPGOUCFISZ-UHFFFAOYSA-N 484.002 6.012 50 10 JKGE O=S(=O)(Nc1cccc(CCCBr)c1)c1cc(Cl)c(Br)s1 139457996 CTSGTRPUCVCUKN-UHFFFAOYSA-N 473.639 5.292 50 10 JKGE Fc1cc2nc(CCCl)n(Cc3sccc3Br)c2cc1Br 158669146 SEBXAZBQPBUNMK-UHFFFAOYSA-N 452.574 5.592 50 10 JKGE Cc1cc(Br)c([C@H](Br)c2ccc3cc(Br)ccc3c2)s1 159678605 IVPOFTJYBXNRIN-OAHLLOKOSA-N 475.043 7.219 50 10 JKGE Fc1cccc(Br)c1[C@H](Cl)c1cc(Br)c(Br)s1 161221453 NEGIUDSPZLPFIE-SNVBAGLBSA-N 463.391 6.503 50 10 JKGE Clc1cccc([C@H](CI)OCc2ccc(Br)cc2)c1 162527175 FIQDMUCTOWZGOQ-HNNXBMFYSA-N 451.529 5.795 50 10 JKGE Cc1ccc([C@H](Br)c2cc(Cl)c(Br)s2)c(Br)c1 163921814 DYDCGMKJAHWMMU-NSHDSACASA-N 459.428 6.719 50 10 JKGE COc1c(C)cc(P(C2=CC=C[C@H]2[C@@H](c2ccccc2)N(C)C)c2cc(C)c(OC)c(C)c2)cc1C 206535290 UJIXMNNVTZWTSC-PQHLKRTFSA-N 499.635 6.743 50 10 JKGE CCOc1ccc(-c2nn(-c3ccccc3)cc2/C=C2\C(=O)N(CC(C)C)C(=O)C(C#N)=C2C)cc1C 214272119 ATHULIWZYRCZMF-MYYYXRDXSA-N 494.595 5.495 50 10 JKGE Brc1ccc(Br)c([C@H](Br)[C@H]2[C@H]3c4ccccc4CC[C@H]32)c1 227016459 IJGWUIDSAHQXLJ-RNJTYBCJSA-N 471.030 6.624 50 10 JKGE COc1ccc([C@H](Br)c2cc(Br)sc2Br)cc1Cl 234992967 QLSVPAZHCLLIAZ-NSHDSACASA-N 475.427 6.419 50 10 JKGE ClCc1ccc(Oc2ccc(Br)cc2Br)c(Br)c1 236029714 BTISCPWMMFUMLN-UHFFFAOYSA-N 455.371 6.505 50 10 JKGE Clc1ccccc1C[C@H](Br)c1cc(Br)cc(Br)c1 236044281 LLUUXYIIKXTSKG-ZDUSSCGKSA-N 453.399 6.544 50 10 JKGE CCC[C@@H](CC(C)C)[C@H](Br)c1cc(I)cc2c1OCC2 308020340 JJRNVOSLZXTPFR-LRDDRELGSA-N 451.186 6.125 50 10 JKGE FC(F)(F)c1csc([C@H](Br)c2ccoc2Br)c1Br 310670800 HYUOLBAEGMUDNU-ZCFIWIBFSA-N 468.914 6.369 50 10 JKGE ClCc1cc(Br)cc(Br)c1OCc1sccc1Br 310978938 FOBGCIDOURAGQQ-UHFFFAOYSA-N 475.427 6.353 50 10 JKGE O=C(OCc1ccccc1)N1C[C@@H](CBr)[C@@H](c2cc(Br)ccc2F)C1 382685885 FLSAERHRGPRAEP-PBHICJAKSA-N 471.164 5.335 50 10 JKGE COc1cccc([C@@H](Br)c2cc(Br)ccc2Br)c1F 397446376 LYUXROCBPMYPHV-CYBMUJFWSA-N 452.943 5.844 50 10 JKGE Clc1cc([C@@H](Br)c2ccccc2Br)c(Cl)c(Cl)c1Cl 404877284 PQGQYZIACMISBM-JTQLQIEISA-N 463.811 7.547 50 10 JKGE CC(C)(C)[Si](C)(C)OCCc1ccccc1[C@@H]1CCOCCN1S(=O)(=O)c1ccccc1 616596966 BJONLHHOGBMVKA-DEOSSOPVSA-N 475.727 5.403 50 10 JKGE Brc1cc([C@H](Br)c2cccc(OCc3ccccc3)c2)cc2c1OCCC2 689521122 ZGMVFXDFJBIGSB-JOCHJYFZSA-N 488.219 6.837 50 10 JKGE O=C(Nc1ccc(CCBr)cc1)c1scc(Br)c1Br 705418913 MVFVAXZDARBTJS-UHFFFAOYSA-N 468.008 5.463 50 10 JKGE Brc1cc([C@@H](Br)c2ccc(C3CC3)s2)ccc1I 708006054 YZROWBDDHQEEGL-CQSZACIVSA-N 498.021 6.477 50 10 JKGE O=C(CC[C@H](O)c1ccccc1)NN=Cc1ccc(OCc2cccc(F)c2)c(Br)c1 1083944842 FYTWFBSEFABWEM-QFIPXVFZSA-N 485.353 5.131 50 10 JKGE O=C(OCc1ccccc1)N1C[C@H](c2ccc(Br)c([N+](=O)[O-])c2)[C@@H](CBr)C1 1614619217 AHKBKXYKUZUVFP-JKSUJKDBSA-N 498.171 5.104 50 10 JKGE O=C(OCc1ccccc1)N1C[C@@H](CBr)[C@H](c2cc(Br)cc([N+](=O)[O-])c2)C1 1614643196 SAHUIHABZUVSOK-QAPCUYQASA-N 498.171 5.104 50 10 JKGE Cc1ccc(NC(=O)c2oc3c(c2C)C(=NNC(=O)c2ccccc2C)CCC3)c(Br)c1 1772743692 IYDNXKWHRKQGOR-UHFFFAOYSA-N 494.389 5.690 50 10 JKGE Cc1ccc(NC(=O)c2oc3c(c2C)C(=NNC(=O)c2cccc4ccccc24)CCC3)cc1 1772748164 NXIRCSVTYQNXFN-UHFFFAOYSA-N 451.526 5.772 50 10 JKGE COc1cc(C=NNC(=O)COc2cc(C)ccc2C(C)C)ccc1OCc1ccccc1C 1772753672 AZEAARRQWQPPEW-UHFFFAOYSA-N 460.574 5.544 50 10 JKGE Cc1ccc(C)c(NC(=O)[C@H](C)Oc2cccnc2NC(=O)Nc2ccc(SC#N)cc2)c1 1858840914 AXEZBBGDRRAYAH-KRWDZBQOSA-N 461.547 5.322 50 10 JKGE COc1ccc(-c2nn(-c3ccccc3Cl)c3c2[C@H](c2ccccc2)C(C#N)=C(N)O3)cc1 1865680349 HYLPHBQGTVZWDO-JOCHJYFZSA-N 454.917 5.419 50 10 JKGE COc1ccc(-c2nn(-c3ccccn3)c3c2[C@@H](c2ccc(C(C)(C)C)cc2)C(C#N)=C(N)O3)cc1 1865682764 XFNBTFRUGMLYLH-DEOSSOPVSA-N 477.568 5.459 50 10 JKGE N#CC1=C(N)Oc2c(c(-c3ccccc3)nn2Cc2cccc(F)c2)[C@@H]1c1c(F)cccc1Cl 1865685262 HIVSNJQYBCCFCV-NRFANRHFSA-N 474.898 5.748 50 10 JKGE Cc1ccc([C@@H]2C(C#N)=C(N)Oc3c2c(-c2ccccc2)nn3Cc2c(F)cccc2Cl)cc1 1865685741 MKOHPIQPJJZAJX-HSZRJFAPSA-N 470.935 5.918 50 10 JKGE CCCCCOc1ccc([C@@H]2C(C#N)=C(N)Oc3c2c(CCC)nn3-c2ccccc2Cl)cc1 1865690637 XQWSWNCBBZYDLW-XMMPIXPASA-N 477.008 6.265 50 10 JKGE Cc1cccc([C@H]2C(C#N)=C(N)Oc3c2c(-c2ccccc2)nn3-c2ccc(Br)cc2)c1 1865710593 CESDJHFCNMUIEG-QFIPXVFZSA-N 483.369 5.828 50 10 JKGE COc1ccc(OC/C(O)=C(\C#N)c2nc(-c3ccc(Br)cc3)cs2)c(C(C)(C)C)c1 1872746594 OVVMAAUNNUQAJH-UZYVYHOESA-N 499.430 6.750 50 10 JKGE N#C/C(=C(/O)c1cccc(Oc2ccccc2)c1)c1nc(-c2ccc3c(c2)OCCO3)cs1 1872750868 NOGWMRQLYSLSQX-DAFNUICNSA-N 454.507 6.323 50 10 JKGE COc1ccc(-c2csc(/C(C#N)=C(\O)c3ccc4c(c3)C(=O)N(CC(C)C)C4=O)n2)cc1F 1872752540 IJLMTASSAOPKHA-PYCFMQQDSA-N 477.517 5.160 50 10 JKGE COc1c(C)cc(C)cc1-c1csc(/C(C#N)=C(\O)c2ccc3c(c2)C(=O)N(CC(C)C)C3=O)n1 1872755066 XDESSBDBAVTCSO-LNVKXUELSA-N 487.581 5.637 50 10 JKGE COc1ccc(OCCC/C(O)=C(\C#N)c2nc(-c3cc(OC)ccc3OC)cs2)cc1 1873921241 YVNDZIDDYZGRMW-XDOYNYLZSA-N 452.532 5.488 50 10 JKGE Brc1sc(Br)c([C@H](Br)[C@@H]2C[C@H]2C2CC2)c1Br 1897418583 NNKMWQORACIQDT-SHYZEUOFSA-N 493.884 6.518 50 10 JKGE Cc1cc(Br)c(C)c([C@H](Br)[C@@H]2C[C@@H]2Br)c1Br 1897713690 VSVFEGLYXIHJLC-VFWDIBGWSA-N 475.844 6.048 50 10 JKGE Cc1cc([C@@H](Br)c2sc(Cl)cc2I)sc1Cl 1901029131 RMDBRLJJODMWAJ-MRVPVSSYSA-N 468.006 6.514 50 10 JKGE Cl[C@H](c1cc(Br)sn1)c1cc(Br)c(Br)s1 1909866051 ZJAKICMTZNSJTH-SSDOTTSWSA-N 452.418 5.820 50 10 JKGE C[C@@H](Br)CN(Cc1ccccc1)S(=O)(=O)c1c(Cl)cccc1Br 1914636363 GOORJFJOQZDKHG-GFCCVEGCSA-N 481.637 5.077 50 10 JKGE C[C@@H](CCCl)N(Cc1ccccc1)C(=O)c1cccc(Br)c1Br 1915077710 XPIFFSLNTSMTRT-ZDUSSCGKSA-N 459.609 5.871 50 10 JKGE COc1ccccc1C[C@H](Br)c1sc(Br)cc1Br 1922946752 VCDRMYKLGJZTGV-VIFPVBQESA-N 455.009 5.960 50 10 JKGE Cc1c(Br)sc([C@H](Br)c2cc3c(s2)CCC3)c1Br 1922955228 XOZOOEMHKZZSSO-LLVKDONJSA-N 471.077 6.616 50 10 JKGE Fc1cc(F)c([C@H](Br)c2c(Br)sc(Br)c2Cl)c(F)c1 1923068644 UXEPCIHZWIXVDR-QMMMGPOBSA-N 499.371 6.828 50 10 JKGE Clc1c(Br)sc(Br)c1[C@@H](Br)C1C[C@H]2CC[C@H](C1)C2 1923071712 KLLHKGZLLHNOJW-BYULHYEWSA-N 477.487 7.189 50 10 JKGE COCc1csc([C@H](Cl)c2c(Br)sc(Br)c2Br)c1 1924608212 FMKROOUAZLAEBY-VIFPVBQESA-N 495.483 6.572 50 10 JKGE Brc1sc(Br)c([C@H](Br)C2(C3CC3)CC2)c1Br 1924615320 ZGFGZWAASMWAKZ-QMMMGPOBSA-N 493.884 6.662 50 10 JKGE Clc1ccc(C[C@@H](Br)c2c(Cl)sc(Br)c2Cl)cc1Cl 1925590994 SXZLJUNYNPMTDE-ZCFIWIBFSA-N 483.867 7.803 50 10 JKGE CO[C@@H]1C[C@@]2([C@@H](Br)c3c(Br)sc(Br)c3Cl)C[C@@H]12 1951250495 JWTAUHFPIHSMTJ-JHMDGNCFSA-N 465.432 5.788 50 10 JKGE Cc1c(Cl)cc(CN(Cc2ccccc2)[C@H](C)CCBr)cc1Br 1979763759 KSPILSVKXYCGSE-CQSZACIVSA-N 459.653 6.587 50 10 JKGE Brc1ccc([C@H](Br)c2ccccc2Br)c(Br)c1 2024295259 PNLNSMZBYHGVBC-CYBMUJFWSA-N 483.823 6.458 50 10 JKGE Cc1cc(F)c(Cl)cc1[C@@H](Br)c1cc(Br)c(Br)s1 2081938740 YOHUQXSIRQRGFU-LLVKDONJSA-N 477.418 6.858 50 10 JKGE Cc1nc(C[C@H](Br)c2cc(Cl)ccc2I)sc1C 2085798575 SNOGSTXDBQQKOK-NSHDSACASA-N 456.574 5.697 50 10 JKGE BrCCC1(NCc2ccc(Br)cc2Br)CCSCC1 2092261395 PHTORHKVQOATDF-UHFFFAOYSA-N 472.084 5.352 50 10 JKGE Brc1ccc(Br)c(CC[C@@H](Br)CN2CCCCC2)c1 2118524829 NNAFJNSNKRIQSZ-CQSZACIVSA-N 454.044 5.394 50 10 JKGE O=S(=O)(c1ccc(CBr)c(Cl)c1)N(Cc1ccccc1)CC1CCCC1 2123203401 FVNWQMHDIBGHOQ-UHFFFAOYSA-N 456.833 5.616 50 10 JKGE C[C@@H](Cl)c1nc2cc(I)c(F)cc2n1C1CC(Br)C1 2126745146 OZNUAZFVKHREGL-JECWYVHBSA-N 457.512 5.178 50 10 JKGE CC1(C)C[C@](C)(CBr)CN1Cc1ccc(Br)cc1Br 2134834154 RKAKZHXAYOWAHS-OAHLLOKOSA-N 454.044 5.597 50 10 JKGE Cc1c(Br)ccc([C@@H](Cl)Cc2ccccc2Br)c1Br 2138872425 KFKSVZDZOCCHED-AWEZNQCLSA-N 467.426 6.805 50 10 JKGE ClCc1c(Br)cccc1OCc1ccc(I)c(Cl)c1 2142948490 BFYJMBBSORWBRI-UHFFFAOYSA-N 471.947 6.025 50 10 JKGE C[C@@H](c1cnn(Cc2ccccc2)c1)n1c(CCCl)nc2cc(I)ccc21 2146218577 YZQRIUHBUDWUAU-HNNXBMFYSA-N 490.776 5.276 50 10 JKGE O=C(N[C@H]1CCCC[C@@H]1CCBr)c1c(Br)cccc1Br 2150502782 FAWRWWPBUISVFD-MFKMUULPSA-N 468.027 5.285 50 10 JKGE O=[N+]([O-])c1cc(Br)cc(Cl)c1Oc1nc(Cl)c(CBr)s1 2155313455 LDTDJOCCYCMBKA-UHFFFAOYSA-N 462.934 5.808 50 10 JKGE O=C(NC[C@H]1CCCC[C@@H](Br)C1)c1c(Br)cccc1Br 2163738040 SADGSMNWAUBBNP-WDEREUQCSA-N 468.027 5.285 50 10 JKGE Cc1nn(C)c(Br)c1[C@H](Br)c1scc(C(F)(F)F)c1Br 2185748586 GDSBUDIJAMLRCK-QMMMGPOBSA-N 496.972 5.818 50 10 JKGE COc1cc(C)c([C@@H](Br)c2cc(Cl)ccc2Br)cc1Br 2198738088 WDMQEJHDSOZIOQ-OAHLLOKOSA-N 483.425 6.666 50 10 JKGE Cc1c(Br)cccc1[C@@H](Br)c1c(Br)cc(F)c(Cl)c1F 2201618742 KRLKBIPNAPUJIE-GFCCVEGCSA-N 489.379 6.936 50 10 JKGE O=C(c1c(Br)cccc1Br)N1CCCC[C@H]1CCCBr 2206666067 HOKGCUIBMSNAPQ-NSHDSACASA-N 468.027 5.381 50 10 JKGE Clc1cc(CN2CC3(CCCC3)C[C@H]2CBr)ccc1I 2208037529 XIBRDZDPIIXTEZ-ZDUSSCGKSA-N 468.604 5.474 50 10 JKGE CCC1CCC([C@@H](Br)c2cc(Br)c(Br)cc2F)CC1 2225618324 WNHDTEMHKCUTKJ-HKJQSTPSSA-N 457.019 7.003 50 10 JKGE CCOc1ccc([C@H](Br)c2scc(Br)c2C)cc1Br 2226123162 PHHJAVXTLWDODM-ZDUSSCGKSA-N 469.036 6.465 50 10 JKGE Cc1cc(Br)c([C@H](Br)C2CC3(CCC3)C2)c(C)c1Br 2227360377 RMCBIRYXPFEYKJ-OAHLLOKOSA-N 451.040 6.845 50 10 JKGE Cc1cc(Br)c(CN(C)c2cc(Br)ccc2CBr)s1 2229403160 QVOAHOIABCLULW-UHFFFAOYSA-N 468.052 6.113 50 10 JKGE COc1ccc([C@H](Br)c2cc(C)ccc2I)cc1Br 2232221610 BXEHUXHGWJHERY-HNNXBMFYSA-N 495.980 5.855 50 10 JKGE Clc1cc(Br)c([C@H](Br)[C@@H]2C[C@H]3CCCC[C@@H]32)c(Cl)c1Cl 2232522529 ZBIZAYBOGUWAAT-LOKDSWTASA-N 461.452 7.672 50 10 JKGE CCOc1ccc([C@H](Cl)c2ccc(C)c(I)c2)c(Br)c1 2232832733 GIGAWKBJFJQYET-MRXNPFEDSA-N 465.556 6.089 50 10 JKGE C[C@@H](Cl)c1nc2c(F)cc(Br)cc2n1[C@@]1(C)CCN(Cc2ccccc2)C1 2232918134 HCSDBHAVPFASFH-SZNDQCEHSA-N 450.783 5.859 50 10 JKGE CC(C)(C)OC1CC(C[C@@H](Br)c2c(Cl)sc(Br)c2Cl)C1 2232948703 CCSZWTLFOHXIKV-AMDVSUOASA-N 465.078 7.237 50 10 JKGE Cc1cc([C@@H](Br)c2cc(Br)c(Br)cc2F)c(F)cc1F 2233975046 IEXJJPNENQLTDF-CQSZACIVSA-N 472.924 6.422 50 10 JKGE Fc1cc(Br)c(Br)cc1[C@H](Br)[C@@H]1CC[C@H]2[C@H](C1)C2(F)F 2233977044 SJRBWZBLZDVHOD-CEHQXXPXSA-N 476.956 6.468 50 10 JKGE CC(C)(C)[C@@H](C[C@H](Br)c1cc(Br)c(Br)cc1F)C(F)F 2233978211 ZBQBHUUJZALICB-IUCAKERBSA-N 480.988 7.104 50 10 JKGE Cl[C@H](c1c(Br)sc(Br)c1Br)[C@@]12CCC[C@@H]1CC2 2251126297 LXKQBZYJNPXWEZ-AKGNYGMASA-N 463.460 6.896 50 10 JKGE O=C(c1cc(F)c(Br)cc1Cl)N(Cc1ccccc1)[C@H](CBr)C1CC1 2256018555 NYDYKHMENGYHJX-GOSISDBHSA-N 489.610 6.058 50 10 JKGE CCOCc1cc(Br)c([C@@H](Br)c2cocc2Br)s1 2258117104 HLSLEECSUKFNLN-NSHDSACASA-N 458.997 5.887 50 10 JKGE COc1c([C@@H](Br)c2occc2Br)cc(Br)c(C)c1C 2269109003 HJKIJLINDPHJFI-GFCCVEGCSA-N 452.968 5.914 50 10 JKGE COc1c([C@H](Br)c2ccsc2Br)cc(Br)c(C)c1C 2269112590 XXQRSBJAGHXJCG-GFCCVEGCSA-N 469.036 6.383 50 10 JKGE CC(C)C[C@@H]1C[C@H]1[C@H](Br)c1c(F)cc(Br)c(F)c1Br 2272730032 ARYSQSSJTCBUKT-RWYTXXIDSA-N 460.982 6.608 50 10 JKGE FC1(F)CC2(C[C@H]2[C@@H](Br)Cc2cc(Br)cc(Br)c2)C1 2277955971 ODEHLKDVPQUASG-RYUDHWBXSA-N 458.966 5.953 50 10 JKGE COc1cc(C)c([C@H](Cl)c2ccc(Cl)c(I)c2)cc1Br 2283578566 GUPWISVKXYOCGB-OAHLLOKOSA-N 485.974 6.352 50 10 JKGE COc1c([C@@H](Cl)c2cccc(I)c2)cc(Br)c(C)c1C 2284521291 LBVXKQKYCGCBOE-HNNXBMFYSA-N 465.556 6.007 50 10 JKGE COc1ccc([C@@H](Br)c2ccc(Cl)cc2OC)cc1I 2285011723 RCTOQEQNYIEEAB-OAHLLOKOSA-N 467.528 5.446 50 10 JKGE COc1cccc([C@@H](Br)c2c(F)cc(Br)c(F)c2Br)c1 2288374698 WMDJAEQTKZDNQI-GFCCVEGCSA-N 470.933 5.983 50 10 JKGE CS(=O)(=O)c1cscc1[C@@H](Br)c1cc(Cl)c(Br)cc1F 2288500704 KBUCSOKIBDTBRS-LBPRGKRZSA-N 462.587 5.191 50 10 JKGE N#CC(=Cc1cn(Cc2ccccc2Cl)c2ccccc12)C(=O)N1CCN(c2ccccc2)CC1 2294171985 PTVJCIVJWYTLTC-UHFFFAOYSA-N 480.999 5.599 50 10 JKGE COc1c(C)cc(C)cc1[C@H](Cl)c1ccc(I)c(Br)c1 2295368467 VTWDWXOKSIGUCH-OAHLLOKOSA-N 465.556 6.007 50 10 JKGE Cc1cc(Br)c([C@@H](Br)c2ccc3scnc3c2)cc1Br 2296081324 MITHZQVVXSAKPY-HNNXBMFYSA-N 476.031 6.614 50 10 JKGE CCCOc1ccc(-c2nn(-c3ccccc3)cc2C=C(C#N)C(=O)NCc2ccco2)c(C)c1 2296706083 VYBMCYFQGJAUCJ-UHFFFAOYSA-N 466.541 5.453 50 10 JKGE CCCOc1ccc(-c2nn(-c3ccccc3)cc2C=C(C#N)C(=O)N[C@H](C)c2ccccc2)c(C)c1 2296706100 XKGMULGJXTTXRV-HSZRJFAPSA-N 490.607 6.421 50 10 JKGE N#CC(=CNc1ccc(Cl)c(C(F)(F)F)c1)c1nc(-c2ccc(Cl)c(Cl)c2)cs1 2296800614 JDMOTLXXXNUOJN-UHFFFAOYSA-N 474.722 7.766 50 10 JKGE Cc1cc(C)cc(NC(SCc2ccc(F)cc2)=C(C#N)S(=O)(=O)c2ccccc2)c1 2297350077 SVIOMIVBDCXMIG-UHFFFAOYSA-N 452.576 5.954 50 10 JKGE Cc1ccc(CSC(Nc2cccc(Cl)c2)=C(C#N)S(=O)(=O)c2ccccc2)cc1 2297350133 YJLYFFGSZDCCEV-UHFFFAOYSA-N 455.004 6.160 50 10 JKGE N#CC(=Cc1ccc(OCc2ccc(Cl)c(Cl)c2)cc1)C(=O)Nc1nc2ccccc2s1 2297500427 ZHZQGSMSAUSLRX-UHFFFAOYSA-N 480.376 6.728 50 10 JKGE CC(C)C[C@@H]1C[C@@H]1[C@H](Br)c1ccc(OCc2ccccc2)cc1Br 2299487975 BPXDAQHHKYVUOC-LKUPVBHCSA-N 452.230 7.146 50 10 JKGE Fc1c(Br)cc(Cl)c([C@H](Cl)[C@H]2C[C@@H](Br)C2)c1Br 2300172907 YARHJHUUQYFHQY-MIBFAWTQSA-N 469.801 6.458 50 10 JKGE CC[C@@H](Br)CN(Cc1ccccc1)Cc1c(OC)ncc(Br)c1C 2303048790 CRVJVSWYDAOLHG-MRXNPFEDSA-N 456.222 5.337 50 10 JKGE Cc1sc(C(=O)N[C@H](CCBr)COCc2ccccc2)c(Br)c1C 2303551398 YGLFZUPHTOZXBT-OAHLLOKOSA-N 475.246 5.228 50 10 JKGE Cc1ccc(C)c(NC(=O)C(C#N)=Cc2cc(Cl)ccc2OCc2ccc(Br)cc2)c1 2313667015 BZIKMBYXQMZOKS-UHFFFAOYSA-N 495.804 6.844 50 10 JKGE COc1cc(C=C(C#N)C(=O)Nc2c(C)cccc2C)ccc1OCc1ccc(Cl)cc1Cl 2313667125 GCWZDUMZEPWISZ-UHFFFAOYSA-N 481.379 6.744 50 10 JKGE Fc1cc(Cl)c(Br)c(Cl)c1[C@@H](Cl)c1csc(Br)c1 2313815701 GHQYCXHNNCFENJ-JTQLQIEISA-N 453.385 7.047 50 10 JKGE FC(F)(F)[C@@H]1C[C@H]1C[C@H](Br)c1ccc(OCc2ccccc2)cc1Br 2314445698 PZAWYVASKQCXPK-XKQJLSEDSA-N 478.146 7.053 50 10 JKGE CCCN[C@H](c1ccc(OCc2ccccc2)cc1Br)[C@H]1C[C@@H](Br)C1 2314452822 QRWLOWNRIUFZFF-FVJLSDCUSA-N 467.245 6.242 50 10 JKGE CCC(F)(F)C[C@H](Br)c1c(C)cc(Br)c(F)c1Br 2317396325 RCMKYSWSGTVZIS-QMMMGPOBSA-N 452.934 6.531 50 10 JKGE CC(C)c1ccccc1NC(=O)C(C#N)=CN1CCN(C(c2ccccc2)c2ccccc2)CC1 2318455079 MELCEVODZDBKTM-UHFFFAOYSA-N 464.613 5.563 50 10 JKGE CCCOc1c(Br)cc(C=NNC(=O)Nc2ccc(Cl)cc2)cc1OCC 2323831827 IDHMWAJHYFPQHW-UHFFFAOYSA-N 454.752 5.446 50 10 JKGE CC1(C)C[C@@H](CBr)N(Cc2ccc(I)c(Br)c2)C1 2325207077 NNXFBJMPCUSIPR-NSHDSACASA-N 487.017 5.049 50 10 JKGE CC1(C)CO[C@@](CBr)(Cc2ccc(I)c(Br)c2)C1 2325236458 HZYZUHDLNQIPHE-AWEZNQCLSA-N 488.001 5.176 50 10 JKGE CCCCc1ccc(-c2csc(C(C#N)=C(O)[C@H]3CC(=O)N(c4c(CC)cccc4CC)C3)n2)cc1 2331255834 FGOVKWMIPZAQPV-DEOSSOPVSA-N 499.680 7.123 50 10 JKGE CCOc1ccc(C=CC(O)=C(C#N)c2nc(-c3ccc(Oc4ccccc4)cc3)cs2)cc1OC 2331358742 JLFBCXVDDSZSFN-UHFFFAOYSA-N 496.588 7.516 50 10 JKGE Cc1cc(C)c(C)c(-c2csc(C(C#N)=C(O)COc3cc(C)c(Cl)c(C)c3)n2)c1C 2331364454 DYMRNEYTKNVZPH-UHFFFAOYSA-N 453.007 7.186 50 10 JKGE COc1cc(Cl)c(C)cc1-c1csc(C(C#N)=C(O)c2ccc3c(c2)C(=O)N(C(C)C)C3=O)n1 2331390425 KRNSEIMRHYQJSW-UHFFFAOYSA-N 493.972 5.735 50 10 JKGE CCCCCCCOc1ccc(-c2csc(C(C#N)=Cc3cc(OC)c(OC)c(OC)c3)n2)cc1 2331459809 ZWGZPVDMIKXMAM-UHFFFAOYSA-N 492.641 7.249 50 10 JKGE Cc1c(Br)ccc([C@@H](Br)[C@@H]2CC[C@H]3C[C@@H]2CO3)c1Br 2333146103 GYBIHXCRVVGWAC-RSQPEXBXSA-N 453.012 5.771 50 10 JKGE COc1cc(F)c([C@H](Cl)c2c(Br)c(Br)nn2C)cc1Br 2364228939 SQNJOXHLLRTQQX-JTQLQIEISA-N 491.380 5.184 50 10 JKGE Cc1cc(Br)c(F)c(Br)c1[C@@H](Br)c1cc2cscc2s1 2365220302 UWVLAWHVXGRFTQ-LBPRGKRZSA-N 499.062 7.420 50 10 JKGE N#C/C(=C\c1ccc(-c2ccc(C(=O)O)c(Cl)c2)o1)C(=O)Nc1cccc(Br)c1 1084254 KSJZXDNHXAPHIF-MDWZMJQESA-N 471.694 5.606 50 10 JKGE Cc1ccc(-n2c(SCC(=O)N/N=C/C=C\c3ccccc3[N+](=O)[O-])nnc2-c2ccccc2)cc1 19826159 VSVIUQPWIOFILO-VFZLZTELSA-N 498.568 5.058 50 10 JKGE C=CCc1ccccc1OCC(=O)Oc1ccc(/C=C(\C#N)c2ccc(Cl)cc2)cc1OC 33376353 BYKVCNGJSDJNQF-PXLXIMEGSA-N 459.929 6.126 50 10 JKGE CCCOc1ccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4ccc(OCC)cc4)ccc32)cc1 38650642 LLLGRCGBPMRZKD-SANMLTNESA-N 470.525 5.311 50 10 JKGE Cc1c(C(=O)Nc2ccccc2Cl)oc2c1/C(=N/NC(=O)c1ccc(Cl)cc1)CCC2 40811677 FTLMNDRWLGGENH-OVVQPSECSA-N 456.329 5.618 50 10 JKGE Cc1occc1C(=O)N/N=C1\CCCc2oc(C(=O)Nc3ccc(Cl)c(Cl)c3)c(C)c21 40823444 CWEZEVMHHYACKO-YZSQISJMSA-N 460.317 5.519 50 10 JKGE N#C/C(=C/c1ccc(-c2ccc(C34CC5CC(CC(C5)C3)C4)cc2[N+](=O)[O-])o1)C(=O)Nc1ccccc1 58832846 GGAOWCOEQCKKCP-XKZIYDEJSA-N 493.563 6.868 50 10 JKGE CC(C)Cc1ccc([C@H](C)C(=O)NNC(=O)COc2ccc3ccccc3c2Br)cc1 66199264 NUPGEUCOWFOILC-KRWDZBQOSA-N 483.406 5.131 50 10 JKGE Br[C@@H](CCCCOCCCC[C@@H](Br)Cc1ccccc1)Cc1ccccc1 100329448 JTOHXMNONITXQD-PSWAGMNNSA-N 496.327 7.356 50 10 JKGE N#C/C(=C/c1ccc(OCc2ccc(Cl)cc2Cl)cc1)C(=O)Nc1nc2ccccc2s1 102444029 AZWSHPVRBKQIOS-BOPFTXTBSA-N 480.376 6.728 50 10 JKGE CC(C)(C)c1cc(C[PH](c2ccccc2)(c2ccccc2)c2ccccc2)cc(C(C)(C)C)c1O 105265504 FXWQBKUAIVLHAQ-UHFFFAOYSA-N 482.648 7.214 50 10 JKGE O=c1[nH]c2cc(Br)c([C@H](Br)c3cc(F)ccc3Br)cc2[nH]1 109884168 MGQDORCDKLIATL-CYBMUJFWSA-N 478.941 5.005 50 10 JKGE COc1cccc(CC(CBr)(CBr)c2ccc(Br)cc2)c1 118878569 WRPSWSMPPBHRNB-UHFFFAOYSA-N 477.034 5.728 50 10 JKGE COc1c(C)cc(Br)c(C)c1[C@@H](Cl)c1ccc(Br)c(Cl)c1 125627966 SIYRARRAYIUXFQ-HNNXBMFYSA-N 453.001 6.819 50 10 JKGE Cc1cc(Br)c([C@@H](Cl)c2ccc(S(C)(=O)=O)cc2)cc1Br 128619324 RSBGPUVWPOKZIK-HNNXBMFYSA-N 452.595 5.252 50 10 JKGE Cc1ccc([C@H](Br)c2csc3c(Br)cccc23)c(Br)c1 161448469 NWGIJXUAJXQGLS-HNNXBMFYSA-N 475.043 7.219 50 10 JKGE ClC[C@@]1(C(Cl)Cl)[C@@H]2CC(Cl)(Cl)[C@@]1(C(Cl)Cl)[C@H](Cl)C2(Cl)Cl 197056586 DGYUTICLLXPLLK-MOXNOQEZSA-N 482.704 6.794 50 10 JKGE CCOc1cc(/C=C2\C(=O)N(C3CCCCC3)C(=O)C(C#N)=C2C)ccc1OCc1ccccc1F 214368156 QHSBPOAVJTXYCN-HAHDFKILSA-N 488.559 5.728 50 10 JKGE Cc1ccc(F)c([C@@H](Br)c2cc(Br)sc2Br)c1F 214872181 DZNCDRVATUOXMV-JTQLQIEISA-N 460.963 6.344 50 10 JKGE Cc1cccc(C)c1N/C=C(/C#N)C(=O)N1CCN(C(c2ccccc2)c2ccccc2)CC1 216506460 PHXNJWRBELGDDK-QLYXXIJNSA-N 450.586 5.057 50 10 JKGE Clc1ccc(I)c([C@@H](Br)Cc2nc3ccccc3s2)c1 236083896 KBQOVUNGQRIIFD-NSHDSACASA-N 478.580 6.233 50 10 JKGE COc1ccc(Br)c(C=NNC(=O)COc2cc(C)c(Br)cc2C(C)C)c1 252620755 MLOGTXLEYXLGRB-UHFFFAOYSA-N 498.215 5.181 50 10 JKGE CCCc1cc(C(=O)NN=Cc2ccc(OC)c(OCc3cccc(C(F)(F)F)c3)c2)cs1 254700941 JPAPKLPKJVLPNZ-UHFFFAOYSA-N 476.520 6.071 50 10 JKGE CC(=NNC(=O)c1cccc(Br)c1)c1cccc(NC(=O)c2ccc(C)s2)c1 254826588 VKPVCAARTMLABO-UHFFFAOYSA-N 456.365 5.225 50 10 JKGE CCCc1ccc([C@@H]2CN(C(=O)OCc3ccccc3)C[C@H]2CI)cc1 394676535 TXCDYAADOSLPLD-RTWAWAEBSA-N 463.359 5.426 50 10 JKGE Fc1cc(Br)c([C@@H](Br)c2ccccc2OCc2ccccc2)c(F)c1F 398516703 KIAWFFFLHXFXJG-SFHVURJKSA-N 486.125 6.930 50 10 JKGE Fc1cc(Br)c([C@H](Br)c2ccc(Cl)c(Br)c2)c(F)c1F 398732677 MYMDUYDQGSXVIR-LLVKDONJSA-N 493.342 6.767 50 10 JKGE COCc1cc(Br)c([C@H](Cl)c2cc(Br)cc(Br)c2)s1 688079528 OSUVGMSXIOJZBH-GFCCVEGCSA-N 489.454 6.510 50 10 JKGE Cc1cc([C@H](Br)c2scc(Br)c2Br)c(C)cc1Cl 705439449 QILGSAHRBKPEIV-NSHDSACASA-N 473.455 7.028 50 10 JKGE Cc1ccccc1C(CBr)(CBr)Cc1sncc1Br 719869164 CRFGTVQWTWDHDI-UHFFFAOYSA-N 468.052 5.484 50 10 JKGE COc1ccc([C@@H](Cl)c2ccc(I)c(Br)c2)c(C)c1 721606052 VMILYPDCFGAMSL-HNNXBMFYSA-N 451.529 5.699 50 10 JKGE CCOc1ccc([C@H](Br)c2ccc(I)c(Br)c2)cc1 721607669 ZZRPEKXMEZOZDQ-HNNXBMFYSA-N 495.980 5.937 50 10 JKGE O=C(NN=Cc1cccc(OCc2ccccc2)c1)c1ccc(NC(=O)C2CCCCC2)cc1 1083872383 YYFHGQMSGDMPNU-UHFFFAOYSA-N 455.558 5.548 50 10 JKGE O=C(COc1ccc(C2CCCCC2)cc1)NN=C1C(=O)N(CCOc2ccccc2)c2ccccc21 1083904737 DOKPMGUWFSIJAS-UHFFFAOYSA-N 497.595 5.059 50 10 JKGE Cc1ccc(NCCCC(=O)NN=Cc2ccccc2OCc2ccc(Br)cc2)cc1 1083918216 CZJREYXNWIUEFD-UHFFFAOYSA-N 480.406 5.679 50 10 JKGE CCOc1ccc(C(=O)NN=Cc2cc(Cl)c(OCc3ccc(C)cc3)c(OCC)c2)cc1 1084391654 DWAPISUVZGOXMX-UHFFFAOYSA-N 466.965 5.789 50 10 JKGE CSc1ccc(Cl)cc1NC(=O)NN(C(=O)c1cc(Cl)cc(Cl)c1)C(C)(C)C 1088670996 WTKYLKSJTQQSKG-UHFFFAOYSA-N 460.814 6.346 50 10 JKGE O=C(OCc1ccccc1)N1C[C@@H](CBr)[C@H](c2cc3ccccc3nc2Cl)C1 1614690208 BTJYDXOFWVMZFS-IEBWSBKVSA-N 459.771 5.635 50 10 JKGE Cc1c(C(=O)Nc2ccc(Cl)c(Cl)c2)oc2c1C(=NNC(=O)c1ccccn1)CCC2 1772747573 QQNAYZWTKMIGBO-UHFFFAOYSA-N 457.317 5.013 50 10 JKGE C[C@@H](Oc1ccc(-c2ccccc2)cc1)C(=O)NN=Cc1cn(Cc2ccccc2)c2ccccc12 1772755444 HUKJBRXIKYPOBM-HSZRJFAPSA-N 473.576 6.274 50 10 JKGE COc1ccc2c(=O)c(-c3ccc(Cl)cc3)c(C(=O)Nc3ccc(SC#N)cc3)oc2c1 1859765515 BSOJRNWIYWEDLP-UHFFFAOYSA-N 462.914 5.947 50 10 JKGE O=C(N/N=C1\C(=O)N(Cc2ccccc2Cl)c2ccccc21)c1ccc(Cl)c(Cl)c1 1860822990 SSBAZIFAKATDCH-QOMWVZHYSA-N 458.732 5.328 50 10 JKGE N#CC1=C(N)Oc2c(c(-c3ccccc3)nn2-c2ccc(Cl)cc2)[C@H]1c1ccc(Cl)cc1 1865683064 FFLAPJZHNYXUTH-NRFANRHFSA-N 459.336 6.064 50 10 JKGE N#CC1=C(N)Oc2c(c(-c3ccccc3)nn2-c2ccccc2Cl)[C@H]1c1cc(Cl)ccc1O 1865688990 GSYWBDKVDCAOHX-NRFANRHFSA-N 475.335 5.770 50 10 JKGE CCCc1nn(-c2cccc3ccccc23)c2c1[C@H](c1ccc(OC(C)C)c(OC)c1)C(C#N)=C(N)O2 1865697150 OGXOVNVBPOZHQI-HHHXNRCGSA-N 494.595 5.992 50 10 JKGE CCc1nn(Cc2ccc(Cl)c(Cl)c2)c2c1[C@H](c1cccc(OC)c1OC)C(C#N)=C(N)O2 1865701423 VJLUKMIQAQIDOV-HXUWFJFHSA-N 485.371 5.036 50 10 JKGE CCCOc1ccccc1[C@H]1C(C#N)=C(N)Oc2c1c(CCC)nn2Cc1cccc(Cl)c1 1865703181 PFAQWXPRQBXSAO-QHCPKHFHSA-N 462.981 5.544 50 10 JKGE N#CC1=C(N)Oc2c(c(-c3ccccc3)nn2Cc2ccc(Cl)cc2)[C@H]1c1cccc(F)c1 1865711361 WHMFSPJOMMUCIS-QFIPXVFZSA-N 456.908 5.609 50 10 JKGE N#CC1=C(N)Oc2c(c(C(F)(F)F)nn2-c2ccccc2)[C@H]1c1cccc(OCc2ccccc2)c1 1865711799 IFSUXWLHGKZZBM-QFIPXVFZSA-N 488.469 5.688 50 10 JKGE Cc1ccccc1[C@@H]1C(C#N)=C(N)Oc2c1c(-c1ccccc1)nn2Cc1c(F)cccc1Cl 1865713276 VOFNZUOYNYFJQO-HSZRJFAPSA-N 470.935 5.918 50 10 JKGE CC(=O)N1CCc2cc(/C(C)=N\NC(=O)c3ccc(-c4ccc(Cl)cc4Cl)nc3C)ccc21 1865763715 ZVPZMYPLRBLFFH-NUJZUDFISA-N 481.383 5.427 50 10 JKGE CC[C@@H](NC(=O)[C@@H](c1ccc(Br)cc1)C(C)C)C(=O)Nc1ccc(SC#N)cc1 1866972560 CMRSJDCZMNKLOH-WOJBJXKFSA-N 474.424 5.295 50 10 JKGE COc1ccc(/C=C(C(/O)=C(\C#N)c2nc(-c3ccc(C)cc3C)cs2)\c2ccccc2)cc1OC 1872748782 NIQUGTFHCYVSBF-FRNXXMHGSA-N 494.616 7.478 50 10 JKGE CC(C)(C)c1csc(/C(C#N)=C(\O)CCCN2C(=O)c3ccc(Br)cc3C2=O)n1 1872748943 UAIITNFNKYZBCA-NXVVXOECSA-N 474.380 5.072 50 10 JKGE COc1ccc(OC/C(O)=C(\C#N)c2nc(-c3ccc(C(C)C)cc3)cs2)c(C(C)(C)C)c1 1872752047 KQUQJYBVMUJXRI-FLFQWRMESA-N 462.615 7.111 50 10 JKGE Cc1nc2ccc(/C(O)=C(\C#N)c3nc(-c4ccc(Oc5ccccc5)cc4)cs3)cc2nc1C 1872753810 NUTRNEXKVFDQSN-VYIQYICTSA-N 476.561 7.112 50 10 JKGE CCOc1ccc(-c2csc(/C(C#N)=C(\O)c3ccc(OC)c(OC)c3)n2)c(OCC)c1 1872755333 IPYWMQNBZNDFFR-NKFKGCMQSA-N 452.532 5.575 50 10 JKGE CC[C@H](C)[C@@H](/C(O)=C(\C#N)c1nc(-c2c(C)cc(C)cc2C)cs1)N1C(=O)c2ccccc2C1=O 1872755927 MAGLMDXQMNZBKT-DBGYOURBSA-N 485.609 6.239 50 10 JKGE C[C@@H](c1ccccc1)N1C[C@H](/C(O)=C(\C#N)c2nc(-c3cc(Cl)ccc3Cl)cs2)CC1=O 1872758313 UWWJFJSVNZPTNN-ZNERZTHVSA-N 484.408 6.519 50 10 JKGE COc1ccc(-c2csc(/C(C#N)=C(\O)[C@@H](C)Oc3ccccc3C(C)C)n2)c2ccccc12 1872758651 JVYISXVYTFTWQI-WIINIFQMSA-N 470.594 7.355 50 10 JKGE COc1ccc(-c2csc(/C(C#N)=C(\O)COc3ccc(Cl)c(C)c3)n2)c(OC)c1OC 1872759203 HAZYSYPZRHSMDK-MNDPQUGUSA-N 472.950 5.669 50 10 JKGE Cc1ccccc1COc1ccc(/C=C(\C#N)c2nc(-c3ccc(Br)cc3)cs2)cc1 1872780724 IWLWMUGXBNFWEL-HYARGMPZSA-N 487.422 7.524 50 10 JKGE COc1cc(/C=C(\C#N)c2nc(-c3ccc(Oc4ccccc4)cc3)cs2)cc(OC)c1O 1872793262 QYEPVCWIQZSUGZ-XDHOZWIPSA-N 456.523 6.389 50 10 JKGE COc1c(C)cc(Cl)cc1-c1csc(/C(C#N)=C/c2cc(Br)ccc2O)n1 1872794070 IYBJGWMWZPOHAC-AWNIVKPZSA-N 461.768 6.313 50 10 JKGE CC[C@@H]1C[C@@H]1C[C@@H](Cl)c1c(Br)sc(Br)c1Br 1902788644 NJCIRFDPYLDDOT-FSDSQADBSA-N 451.449 6.752 50 10 JKGE Clc1sccc1[C@H](Br)c1cc(Br)sc1Br 1909314228 IGOBPCMBPILYDO-ZETCQYMHSA-N 451.430 6.472 50 10 JKGE BrC[C@H](C1CC1)N(CCOc1ccc(Br)cc1)Cc1ccccc1 1915218164 XUFYNUTZYPVKRC-HXUWFJFHSA-N 453.218 5.504 50 10 JKGE Cc1cc(C(=O)N(Cc2ccccc2)[C@@H](CBr)C(C)C)ccc1Br 1915294456 ZDCFSZNZRPWLDQ-IBGZPJMESA-N 453.218 5.819 50 10 JKGE CN(Cc1c(Br)cccc1Br)C[C@H](Cl)COCc1ccccc1 1916343505 UXKCZUIADIBLTI-HNNXBMFYSA-N 461.625 5.468 50 10 JKGE CCCOc1cccc([C@H](Br)c2sc(Br)c(C)c2Br)c1 1922880545 FDIDALYMHIIDRB-ZDUSSCGKSA-N 483.063 6.855 50 10 JKGE Cc1c(Br)sc([C@@H](Br)[C@H]2CC[C@H]3C[C@H]2CO3)c1Br 1922928683 BOEVEFBIICGQMD-KBIXCLLPSA-N 459.041 5.833 50 10 JKGE CC(C)([C@@H](Cl)c1c(Br)sc(Br)c1Br)S(C)(=O)=O 1924583056 FLMBTFRPFLZMOE-LURJTMIESA-N 489.476 5.139 50 10 JKGE Fc1cccc(F)c1C[C@@H](Cl)c1c(Br)sc(Br)c1Br 1924596223 KUARQJFWWRQDDF-ZCFIWIBFSA-N 495.408 6.836 50 10 JKGE Clc1cc([C@@H](Cl)c2c(Br)sc(Br)c2Br)cs1 1924605873 YBMBRSXKDBUTOX-SSDOTTSWSA-N 485.875 7.079 50 10 JKGE Brc1cc([C@@H](Br)C2(Br)CCC2)c(Br)s1 1956593581 OAIQRZJQJJHWDN-SSDOTTSWSA-N 467.846 6.027 50 10 JKGE FC1(C[C@@H](Br)c2c(Br)sc(Br)c2Cl)CCC1 1994684625 AEGDNVZUVFCOBR-RXMQYKEDSA-N 455.412 6.645 50 10 JKGE Cl[C@H](c1ccc(Br)cc1I)c1sccc1Br 1995285510 IENOSCRHEKYNOV-SNVBAGLBSA-N 492.401 6.206 50 10 JKGE Cc1cc(Cl)c(Br)cc1[C@H](Br)c1cscc1OCc1ccccc1 2023707583 SMLOPTOQPQLVPQ-IBGZPJMESA-N 486.656 7.536 50 10 JKGE FC(F)(F)c1ccc([C@H](Br)c2cc(Br)c(Br)s2)o1 2030059602 ZKEDAZUNMPMOGI-QMMMGPOBSA-N 468.914 6.369 50 10 JKGE COc1cc(C)c(Br)cc1[C@@H](Br)c1cscc1OCc1ccccc1 2038687259 ZCXJOBKWCHLKDZ-HXUWFJFHSA-N 482.237 6.891 50 10 JKGE CO[C@@H]1CC([C@H](Br)c2cc(Br)sc2Br)C[C@H]1OC 2054500941 XAOVMIBQBIUGQX-KKZNHRDASA-N 463.029 5.149 50 10 JKGE Cc1cc(Cl)c([C@H](Br)c2cccc(I)c2)cc1Cl 2081588180 DSEGUIVGFJLJFI-CQSZACIVSA-N 455.948 6.391 50 10 JKGE CC1(C)C[C@H](NC(=O)c2csc(Br)c2Br)C[C@H](Br)C1 2093944265 HJSVJDLCTGKWHE-JGVFFNPUSA-N 474.056 5.345 50 10 JKGE CC1(C)C[C@@H](n2c(CCl)nc3cc(I)ccc32)[C@H]1OCc1ccccc1 2100142494 OHSQMYPFSYTFDK-UYAOXDASSA-N 480.777 5.936 50 10 JKGE Fc1ccccc1[C@H](Br)CCc1c(Br)cccc1Br 2113381670 MHZMMDYWWCTELV-CQSZACIVSA-N 450.971 6.420 50 10 JKGE COC[C@@H]1CC[C@H](Cc2cccc(Br)c2Br)C[C@H]1Br 2127210053 JYVRJHQVFUSLNF-SCDSUCTJSA-N 455.028 5.580 50 10 JKGE CC(C)(C)[C@@H]1[C@@H](Br)CCN1C(=O)c1scc(Br)c1Br 2128678539 YJEOYYDTWNVXBY-CPCISQLKSA-N 474.056 5.297 50 10 JKGE Cc1c(Br)ccc([C@H](Br)CC[C@@H]2CCCCO2)c1Br 2138854587 TYXCECJZTGTWNP-SMDDNHRTSA-N 455.028 6.305 50 10 JKGE Cc1c(Br)ccc([C@H](Br)C[C@H]2COC(C)(C)C2)c1Br 2138870281 HXJKSWJMDQMIQJ-ZWNOBZJWSA-N 455.028 6.161 50 10 JKGE COC1(C[C@@H](Br)c2ccc(Br)c(C)c2Br)CCCC1 2138872701 UHDBDCZAGPFQCG-CYBMUJFWSA-N 455.028 6.305 50 10 JKGE Cc1cc(Br)c([C@H](Br)[C@@H]2CC[C@@H]3[C@@H](C2)C3(F)F)cc1Br 2146948123 YILHJXIUFVOHEN-IDTAVKCVSA-N 472.993 6.637 50 10 JKGE C[C@H]1CCCN(C(=O)c2cccc(Br)c2Br)[C@H]1CCBr 2148751191 OMIKCYFPTOLRGC-GWCFXTLKSA-N 468.027 5.237 50 10 JKGE Cc1c(Br)c(CC(CBr)(CBr)C2CCCCC2)nn1C 2150221259 XKSAHRRYURPLEM-UHFFFAOYSA-N 471.075 5.390 50 10 JKGE CCCC(CBr)(CCC)CN(CCCNC(=O)OC(C)(C)C)CC(F)(F)F 2163063401 PUOUCBFWMZEUKP-UHFFFAOYSA-N 461.407 5.747 50 10 JKGE FC(F)(F)[C@H]1CN(Cc2c(Br)cccc2Br)C[C@H]1CBr 2163289093 LJYHNFKKRBQAPL-SCZZXKLOSA-N 479.960 5.217 50 10 JKGE Cc1c(Cl)cc(CC[C@@H](Br)c2ccc(Br)cc2)cc1Br 2169788471 BPFOIUTXIIAFCE-CQSZACIVSA-N 481.453 7.242 50 10 JKGE COc1cc(Br)c([C@@H](Cl)c2cc(Br)c(Cl)s2)cc1OC 2172569459 NGGZVCUENURPIS-GFCCVEGCSA-N 461.002 6.272 50 10 JKGE FC(F)(F)C1([C@@H](Br)c2cc(Br)ccc2Br)CCOCC1 2173214753 NLFDVBPFCJOOAI-NSHDSACASA-N 480.944 6.007 50 10 JKGE CCCN[C@H](c1c(C)c(Br)cc(C)c1Br)C1CC(Br)C1 2201058556 CRSAUGYBVMVJMF-PPUFBPAQSA-N 468.071 6.043 50 10 JKGE Cc1c(Br)ccc([C@H](Br)C(F)(F)C2CCOCC2)c1Br 2203683634 DVPZNPIHSFFROW-ZDUSSCGKSA-N 476.981 6.018 50 10 JKGE CCN(C)C[C@@H](Br)Cc1sc(Br)c(Br)c1Br 2212199413 CCUFWLSEOFPQIU-LURJTMIESA-N 498.904 5.293 50 10 JKGE Cc1sc([C@@H](Cl)c2sc(Br)cc2Br)c(Br)c1C 2215946119 KQHITZCDINNATM-VIFPVBQESA-N 479.484 7.042 50 10 JKGE Cc1c(F)ccc([C@H](Cl)c2cc(Br)ccc2I)c1F 2231075264 ALRZUNWTJJRINP-ZDUSSCGKSA-N 457.483 5.969 50 10 JKGE C[C@@H](Cl)c1nc2c(F)cc(Br)cc2n1C[C@@H]1CC1(Br)Br 2233039827 MOHGVXOKMKLUTF-RQJHMYQMSA-N 489.408 5.744 50 10 JKGE Fc1cc(Br)c(Br)cc1[C@H](Br)[C@@H]1[C@H]2CCCC(F)(F)[C@H]21 2233974301 DSBYHKHKSBJXNV-GNNHTFIESA-N 476.956 6.468 50 10 JKGE Cc1cc(Br)c([C@H](Br)[C@@]23COC[C@@H]2C3(F)F)c(C)c1Br 2235597276 BKWYNNXISMFUGO-TVYUQYBPSA-N 474.965 5.546 50 10 JKGE COC1([C@H](Br)c2cc(Br)c(Br)s2)CC(CF)C1 2247440877 OOYGURLPSZZCMP-HKMPYMFOSA-N 450.993 5.474 50 10 JKGE CC(C)(C)OC(=O)NCCSSCCN[C@@H]1C[C@@H]2CCCC[C@H]2N(C(=O)OC(C)(C)C)C1 2253789104 CAFZPPFTXLLZPY-IPMKNSEASA-N 489.748 5.050 50 10 JKGE Brc1cc([C@H](Br)C[C@@H]2CCCCC23CC3)sc1Br 2253869187 IXMGSWYYVRVYMP-VHSXEESVSA-N 457.069 7.070 50 10 JKGE O=C(Cc1cc(Br)cc(Br)c1)N(Cc1ccccc1)[C@H](CCl)C1CC1 2263485409 LLZQTPKXVSNALV-LJQANCHMSA-N 485.647 5.800 50 10 JKGE COc1ccc([C@@H](Br)c2sc(C)cc2Br)c(Br)c1Cl 2268261840 NEBAPNXPEQFHBU-LLVKDONJSA-N 489.454 6.728 50 10 JKGE COc1cc(F)c([C@H](Br)c2ccc(Cl)c(I)c2)c(F)c1 2283572180 BSVHUJSSQWRMJK-CQSZACIVSA-N 473.482 5.716 50 10 JKGE CCOc1ccc([C@H](Cl)c2ccc(Cl)c(I)c2)c(Br)c1 2283587109 PRSRXUJXRYSSKW-OAHLLOKOSA-N 485.974 6.434 50 10 JKGE C[C@@H](Br)CN(CC(C)(C)C)C(=O)c1cc(Br)cc(Br)c1 2288059429 LAUAARYXIPWPDF-SNVBAGLBSA-N 470.043 5.483 50 10 JKGE CCn1ncc(Br)c1[C@H](Cl)c1c(F)cc(Br)c(F)c1Br 2288350015 VZARAGJKARSZEL-SNVBAGLBSA-N 493.371 5.797 50 10 JKGE Cc1ccc(C(C)C)c(OCCn2cc(C=C(C#N)C(=O)NC3CCCC3)c3ccccc32)c1 2296968797 LCMVQDDYKPYCND-UHFFFAOYSA-N 455.602 6.118 50 10 JKGE C[C@@H]1CCCC[C@H]1[C@@H](Br)c1cc(Br)ccc1OCc1ccccc1 2299531021 RSJRZKKYEGWKIZ-FQELHTAISA-N 452.230 7.290 50 10 JKGE Cn1nc(Br)c(Br)c1[C@@H](Cl)c1cc(Cl)c(Br)s1 2301118723 FWZDLESMXZPFEV-LURJTMIESA-N 483.838 5.751 50 10 JKGE BrCc1ccc(Oc2cc(Br)cc(I)c2)cc1 2301127629 ICQWCEWXEKOPGN-UHFFFAOYSA-N 467.926 5.741 50 10 JKGE Cc1ccc(CN(Cc2ccccc2)[C@@H](CBr)C(C)C)c(O)c1Br 2307564532 AELGITXPBUFJPM-SFHVURJKSA-N 455.234 5.885 50 10 JKGE COC(=O)c1c(-n2c(C)cc(C=C(C#N)C(=O)NCc3cccs3)c2C)sc2c1CCCC2 2313540498 DNBXDODRBNDKTH-UHFFFAOYSA-N 479.627 5.106 50 10 JKGE Cc1cccc(COc2ccc(Cl)cc2C=C(C#N)C(=O)Nc2cccc(Cl)c2C)c1 2313730271 LNTMUVVZXSBPMI-UHFFFAOYSA-N 451.353 6.735 50 10 JKGE N#CC(=Cc1ccccc1OCC(=O)Nc1ccccc1)c1nc(-c2ccc(F)cc2)cs1 2314488603 LLZUCSWFJQXCEM-UHFFFAOYSA-N 455.514 6.031 50 10 JKGE CCc1ccc([C@@H](Br)c2cc(Br)ccc2OCc2ccccc2)cc1 2314503178 PPGPWZPLPQSLFH-JOCHJYFZSA-N 460.209 7.075 50 10 JKGE COc1ccc(N2C(=O)[C@H](Cc3cccc(C)c3)SC2=C(C#N)C(=O)Nc2ccccc2OC)cc1 2314591770 DQJDYBPZFISSOP-VWLOTQADSA-N 499.592 5.077 50 10 JKGE COc1cc(C=C(C#N)c2ccccc2)ccc1OC(=O)[C@H](CC(C)C)N1C(=O)c2ccccc2C1=O 2314720298 MAFUBNZNYBIMSE-VWLOTQADSA-N 494.547 5.376 50 10 JKGE COc1ccccc1C=C(C#N)C(=O)Nc1nc(-c2ccc(Br)cc2)c(C)s1 2314777561 KELCKQYCZJLRMV-UHFFFAOYSA-N 454.349 5.435 50 10 JKGE COCC1([C@@H](Br)c2sc(Cl)cc2I)CC(F)(F)C1 2316600807 KWQSKMOAERRJIA-VIFPVBQESA-N 471.532 5.504 50 10 JKGE Cc1cc(I)ccc1NC(=O)C(C#N)=CNC(c1ccccc1)c1ccccc1 2318461917 AULGDVFDWKISFA-UHFFFAOYSA-N 493.348 5.325 50 10 JKGE CCOc1cc(C(=O)Oc2cccc(C=C(C#N)c3ccccc3OC)c2)cc(OCC)c1OCC 2320510830 DLDHDWUGFFLFFE-UHFFFAOYSA-N 487.552 6.175 50 10 JKGE N#CC(=CNc1cc(C(F)(F)F)cc(C(F)(F)F)c1)C(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1 2325215962 KNJMUWNDYZQUJC-UHFFFAOYSA-N 478.736 5.744 50 10 JKGE CC(C)(C)OC(=O)N1CCC[C@H]1C(=O)NN=Cc1ccc(OCc2ccc(Cl)cc2Cl)cc1 2328799217 IBHCNMJYXWJZHW-NRFANRHFSA-N 492.403 5.422 50 10 JKGE CCOC(=O)c1cnn(-c2cccc(Cl)c2)c1NC(=O)C(C#N)=Cc1ccc(Br)cc1 2329665553 ZYIFKDXUQMRFPK-UHFFFAOYSA-N 499.752 5.011 50 10 JKGE CC[C@@H](C)N1C(=O)c2ccc(C(O)=C(C#N)c3nc(-c4cccc([N+](=O)[O-])c4)cs3)cc2C1=O 2331232875 STMPHZKBJCLTCI-CYBMUJFWSA-N 474.498 5.063 50 10 JKGE C[C@@H](c1ccccc1)N1C[C@@H](C(O)=C(C#N)c2nc(-c3ccc4ccccc4c3)cs2)CC1=O 2331237968 XQXCVIUODPNULK-MBSDFSHPSA-N 465.578 6.366 50 10 JKGE C[C@H](c1ccccc1)N1C[C@@H](C(O)=C(C#N)c2nc(-c3ccc(C(C)(C)C)cc3)cs2)CC1=O 2331331997 SUEIXLZCFBRCKC-NQIIRXRSSA-N 471.626 6.510 50 10 JKGE COc1ccc(-c2csc(C(C#N)=C(O)CNC(=O)c3ccc(C(C)(C)C)cc3)n2)c(C)c1C 2331361369 OORILGUKJWENSN-UHFFFAOYSA-N 475.614 5.956 50 10 JKGE COc1ccc(C=CC(O)=C(C#N)c2nc(-c3cc(Cl)c(OC)c(Cl)c3)cs2)cc1OC 2331396587 RYGUSANIJVJTLS-UHFFFAOYSA-N 489.380 6.649 50 10 JKGE COc1ccc(C=CC(O)=C(C#N)c2nc(-c3ccc(OC)c(Cl)c3)cs2)c(OC)c1 2331398264 ZLPFKPTZUDPMOF-UHFFFAOYSA-N 454.935 5.995 50 10 JKGE COc1ccc(C(C)(C)C)cc1-c1csc(C(C#N)=Cc2ccc(OCc3ccc(C)cc3)cc2)n1 2331461152 PYLQVOWETOYSQE-UHFFFAOYSA-N 494.660 8.068 50 10 JKGE COc1cc(C=C(C#N)c2nc(-c3ccc(OC)c(C)c3C)cs2)ccc1OCc1ccc(C)cc1 2331468129 ARXKYHCUKGNYFQ-UHFFFAOYSA-N 496.632 7.396 50 10 JKGE CCCCCOc1ccc(C=C(C#N)c2nc(-c3c(C)c(C)cc(C)c3C)cs2)cc1OC 2331468538 VYEMPOTUARDVAB-UHFFFAOYSA-N 460.643 7.686 50 10 JKGE Cn1nc([C@H](Cl)c2c(F)cc(Cl)c(Br)c2Cl)cc1Br 2335289492 LTBOXQWCBOHAPS-JTQLQIEISA-N 451.348 5.719 50 10 JKGE Brc1cc(OCc2ccccc2)ccc1[C@@H](Br)c1scc2c1CCCC2 2336040501 GGKLOGLDKVUIJH-OAQYLSRUSA-N 492.276 7.453 50 10 JKGE Brc1cc(OCc2ccccc2)ccc1[C@@H](Br)C1C2(CCC2)C12CCC2 2336044826 QXLPYYWCCYDUDG-HXUWFJFHSA-N 476.252 7.435 50 10 JKGE CC(C)(c1ccccc1)[C@H](Br)c1ccc(OCc2ccccc2)cc1Br 2336084161 QRTNIFIVDOURKD-JOCHJYFZSA-N 474.236 7.442 50 10 JKGE ClCc1c(Br)cccc1OCc1ccc(Cl)c(I)c1 2337276160 DEGIZYWBPVYOER-UHFFFAOYSA-N 471.947 6.025 50 10 JKGE CCCc1sc(Br)cc1[C@H](Cl)c1c(Br)cccc1Br 2338031115 ZSRVZORMFVFWKW-AWEZNQCLSA-N 487.482 7.316 50 10 JKGE COc1c(Br)cc(C)c([C@@H](Br)C[C@@H]2CCCO2)c1Br 2339650315 DWXDLWWPTMOEJO-UWVGGRQHSA-N 457.000 5.534 50 10 JKGE Clc1cc(Br)c(C[C@@H](CBr)Cc2cccc(Br)c2)s1 2346064802 VFSPUEZMTRRAMV-JTQLQIEISA-N 487.482 6.723 50 10 JKGE BrC[C@@]1(Cc2ccc(I)c(Br)c2)CCCCC12CC2 2349824565 NCCQCVCASQLJIU-INIZCTEOSA-N 498.040 6.332 50 10 JKGE CCCCCCCCCC[C@@H](Cl)c1ccc(OCc2ccccc2)cc1Br 2361194999 MGIYIQXOKRMYKX-XMMPIXPASA-N 451.876 8.839 50 10 JKGE Cc1cccc([C@@H](CBr)OCc2cc(Br)cc(Br)c2)c1 2362240131 OCRCUCBLKAIQJK-MRXNPFEDSA-N 463.007 6.173 50 10 JKGE Cc1ccc([C@@H](Br)c2c(C)cc(Br)c(F)c2Br)c(C)c1 2365181887 XYICPUZHJBUPLR-CQSZACIVSA-N 464.998 6.760 50 10 JKGE COc1cc(F)c([C@H](Cl)c2ccc(Cl)cc2I)cc1Br 2365597988 MITVFXANUUMAEN-CQSZACIVSA-N 489.937 6.183 50 10 JKGE COc1c(F)cc([C@H](Br)c2cccc(Br)c2Br)cc1F 2370460951 XANFHTHXGIWZJC-LBPRGKRZSA-N 470.933 5.983 50 10 JKGE FC(F)(F)[C@]1(CCl)CCN(Cc2ccc(I)c(Br)c2)C1 2377341666 CYDBZOUPXIALDL-LBPRGKRZSA-N 482.509 5.047 50 10 JKGE Cc1ccc(S(=O)(=O)/C(C#N)=C/c2ccc(N(c3ccccc3)c3ccccc3)cc2)cc1 2660396 NIRTZYJNKZGBJT-VFCFBJKWSA-N 450.563 6.803 50 10 JKGE COc1ccc(NC(=O)/C(C#N)=C/c2c(C)nn(Cc3ccc(F)cc3)c2Cl)cc1Cl 28911944 SAMBXTDJBWWCOF-OQLLNIDSSA-N 459.308 5.240 50 10 JKGE O=C(COc1ccc(-c2ccccc2)cc1)NN=C(/C=C\c1ccccc1)/C=C\c1ccccc1 33380309 VYAMIZUZSXKGSB-ISPAOBMBSA-N 458.561 6.631 50 10 JKGE Cc1cc(C)cc(Oc2nc3ccccn3c(=O)c2/C=C(/C#N)S(=O)(=O)c2ccc(Cl)cc2)c1 33571619 CVWJEYXSGYKNCM-STZFKDTASA-N 491.956 5.095 50 10 JKGE COc1cc(/C=C(/C#N)c2nc3ccccc3[nH]2)cc(Br)c1OCc1cccc(F)c1 33664577 RXYWLNBXNJDTAG-MFOYZWKCSA-N 478.321 6.116 50 10 JKGE N#C/C(=C/C1=C(N2CCOCC2)/C(=C\c2ccc(Cl)cc2Cl)CC1)C(=O)Nc1ccccc1F 33691709 RHRADDNSRSJNRL-WKJMPMOSSA-N 498.385 5.985 50 10 JKGE CCCCCCN1C(=O)C(C#N)=C(C)/C(=C\c2ccc(OCc3ccc(C)cc3)c(OC)c2)C1=O 38604229 CCTHRMIURIRVIZ-LFVJCYFKSA-N 472.585 5.755 50 10 JKGE CCCCOc1ccccc1[C@H]1C(C#N)=C(N)Oc2cc(OC(=O)c3ccccc3OCCC)ccc21 38683119 XIOYHWUHSVJCBO-MUUNZHRXSA-N 498.579 6.092 50 10 JKGE COc1ccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4oc5cc(C)ccc5c4C)ccc32)cc1 38687383 YTJPQDFVDHDHDT-VWLOTQADSA-N 466.493 5.496 50 10 JKGE Cc1ccnc(NC(=O)c2oc3c(c2C)/C(=N/NC(=O)Cc2coc4cc(C)cc(C)c24)CCC3)c1 40827025 VJNHYFSMCXEGPG-AJBULDERSA-N 484.556 5.306 50 10 JKGE CCOc1ccc(/C=N/NC(=O)COc2cc(C)c(Cl)c(C)c2Br)cc1OCC 40950769 BAZGOZVLEVKYIF-BHGWPJFGSA-N 483.790 5.046 50 10 JKGE Cc1sc(/N=C(O)/C(C#N)=C/c2ccc(C(C)C)cc2)nc1-c1ccc(Br)cc1 41013195 TWTRCTWEBIKUSS-XDHOZWIPSA-N 466.404 7.200 50 10 JKGE O=C(Cc1ccc(Cl)cc1)N/N=C/c1cn(-c2ccccc2)nc1-c1ccc(Br)cc1 48572601 XKRDNGCGYDZHIZ-JFLMPSFJSA-N 493.792 5.648 50 10 JKGE CCCCC1CCC(C(=O)Nc2ccc(C(=O)[C@H](Br)CC)cc2OCC)CC1 71432449 NMNWWWMTGFOJPY-FAFZWHIHSA-N 452.433 6.377 50 10 JKGE Cc1cccc(N/C(SCc2c(F)cccc2Cl)=C(\C#N)S(=O)(=O)c2ccccc2)c1 104689108 SBZXRHCTDUUHEU-FCQUAONHSA-N 472.994 6.299 50 10 JKGE Fc1ccc(Br)cc1CC(CCl)(CCl)c1cccc(Br)c1 118874820 ZZGYYQKEGZINPE-UHFFFAOYSA-N 454.992 6.309 50 10 JKGE Cl[C@@H](c1csc(I)c1)c1cc(Br)sc1Br 118883979 NZEIJGMRFXCYCY-QMMMGPOBSA-N 498.430 6.267 50 10 JKGE Cc1cc(Br)c([C@H](Br)C2CCC(C(C)(C)C)CC2)cc1Br 128833833 CMJAQHJPRHTFFL-QWQCLYJRSA-N 481.110 7.809 50 10 JKGE Fc1cccc([C@@H](Br)c2csc3c(Br)cccc23)c1Br 156133973 VYKBCLXIEQQCIC-CYBMUJFWSA-N 479.006 7.050 50 10 JKGE Brc1cc([C@@H](Br)c2cc3sccc3s2)c(Br)s1 156472144 YREULADNHIDNHI-SNVBAGLBSA-N 473.074 7.034 50 10 JKGE CCOC(=O)c1ccc(-c2ccc(/C=C3\C(=O)N(C4CCCCC4)C(=O)C(C#N)=C3C)o2)cc1 214366280 UUOQDTAHQYPTRK-JCMHNJIXSA-N 458.514 5.048 50 10 JKGE Brc1cc([C@H](Br)c2ccc3c(c2)OCCCO3)c(Br)s1 232453474 DMJSCQOUVKEUDE-CYBMUJFWSA-N 483.019 5.919 50 10 JKGE COc1cc(F)c(Br)cc1[C@H](Br)c1ccc(Br)cc1F 234913737 ISVPIWALXPSNHZ-CQSZACIVSA-N 470.933 5.983 50 10 JKGE Cc1ccc(C)c(C[C@H](Br)c2cc(I)ccc2Br)c1 235848819 KKUNKMXGYULCGV-INIZCTEOSA-N 494.008 6.349 50 10 JKGE COc1ccc(C=NNC(=O)CC23CC4CC(CC(C4)C2)C3)cc1COc1ccc(C#N)cc1 254292989 DKYFUYQJOSYMRD-UHFFFAOYSA-N 457.574 5.202 50 10 JKGE Cc1cccc(C(=O)Oc2ccc(C=NNC(=O)c3ccc(OCc4ccccc4)cc3)cc2)c1 254304276 QNEPBQQXOSPOKX-UHFFFAOYSA-N 464.521 5.557 50 10 JKGE C[C@@H]1CCC[C@@H](C)N1C(=O)COc1ccc(C(=O)NN=Cc2ccc(Nc3ccccc3)cc2)cc1 254566953 PUTSRPYIQZNVCA-FGZHOGPDSA-N 484.600 5.362 50 10 JKGE CC(=NNC(=O)c1cc(-c2ccc(C(C)C)cc2)nc2ccccc12)c1ccc(Br)s1 254678705 QYEGQNXBHARUJO-UHFFFAOYSA-N 492.442 7.003 50 10 JKGE C[C@@H](Cl)c1nc2cccnc2n1-c1ccc(I)c(Br)c1 312369343 IADLIJKXTHMERU-MRVPVSSYSA-N 462.516 5.087 50 10 JKGE CCOc1cc(Cl)c([C@H](Br)c2ccc(OCc3ccccc3)cc2)cc1Cl 312964628 UNICEYNZSSKILD-JOCHJYFZSA-N 466.202 7.455 50 10 JKGE Clc1cc([C@@H](Br)c2nscc2Br)c(Cl)c(Cl)c1Cl 404848389 PRYXSRUXXMFNOU-ZCFIWIBFSA-N 470.828 7.004 50 10 JKGE CC(C)(C)[Si](C)(C)OCCc1cccc([C@H]2CCCCN2S(=O)(=O)c2ccccc2)c1 616622883 AFOTYYYKOCLSAC-XMMPIXPASA-N 459.728 6.167 50 10 JKGE Clc1ccsc1[C@@H](Br)c1scc(Br)c1Br 705410148 QQKPZMKRMOHXGQ-SSDOTTSWSA-N 451.430 6.472 50 10 JKGE Clc1ccc([C@@H](Cl)c2scc(Br)c2Br)c2ccccc12 705448521 QVYVOJSBJTUPNZ-CQSZACIVSA-N 451.010 7.408 50 10 JKGE Cc1cc(Br)c([C@H](Br)C[C@H]2CCCC2(F)F)cc1Br 713958309 OSWDUXWWBDAIIM-NOZJJQNGSA-N 460.982 6.782 50 10 JKGE C[C@H]1Cc2cc(Br)cc([C@@H](Br)c3nscc3Br)c2O1 720025306 LFKBJZFCRGJEAT-UPONEAKYSA-N 468.008 5.476 50 10 JKGE CCOc1cc(C=NNC(=O)CC[C@H](O)c2ccccc2)ccc1OCc1ccc(Cl)cc1 725396432 NSULVCZVQGXNCU-QHCPKHFHSA-N 466.965 5.282 50 10 JKGE CCCCCOc1ccccc1C(=O)NN=Cc1ccc(OCc2ccc(C(=O)O)cc2)c(OC)c1 1083924006 WJDZHCMRZQSZDG-UHFFFAOYSA-N 490.556 5.305 50 10 JKGE Cc1ccc(-n2c(C)c(Br)c(C=NNC(=O)[C@H](C)Sc3ccccc3)c2C)cc1 1083945460 LBVKNCNEXNNIFQ-SFHVURJKSA-N 470.436 5.796 50 10 JKGE O=C1C(=NNC(=O)C23CC4CC(CC(C4)C2)C3)c2ccccc2N1Cc1c(Cl)cccc1Cl 1083961044 ZOFYPSYUGYQYMH-UHFFFAOYSA-N 482.411 5.577 50 10 JKGE Cc1nn(C(C)C)c(C)c1C=NNC(=O)C=C(Sc1ccccc1)Sc1ccccc1 1083986217 DAXNLIHNUOQVLP-UHFFFAOYSA-N 450.633 5.957 50 10 JKGE Cc1ccccc1-n1c(C)cc(C=NNC(=O)c2ccc(CN3CCc4ccccc4C3)cc2)c1C 1084102475 PKMGXZZIUNBHMF-UHFFFAOYSA-N 476.624 5.725 50 10 JKGE 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 1084512360 UZRRYMAWPZISQJ-UFWORHAWSA-N 469.932 5.454 50 10 JKGE O=C(NN=Cc1cn(Cc2ccc(Cl)cc2Cl)c2ccccc12)[C@@H]1C[C@@H]1c1ccccc1 1565518723 NAXVUQMMOCWNTM-DHIUTWEWSA-N 462.380 6.250 50 10 JKGE COc1ccc(C(=O)NN=C2CCCc3oc(C(=O)Nc4ccc(Cl)cc4C)c(C)c32)cc1 1772745872 MDSAXSDYPQXLPG-UHFFFAOYSA-N 465.937 5.281 50 10 JKGE Cc1c(C(=O)Nc2ccccc2F)oc2c1C(=NNC(=O)c1cccc3ccccc13)CCC2 1772748691 SPQGCWRQXYLUHE-UHFFFAOYSA-N 455.489 5.603 50 10 JKGE Cc1c(C(=O)Nc2ccc(Cl)cc2Cl)oc2c1C(=NNC(=O)c1cccs1)CCC2 1772749819 SIZAUXGBXSUIMW-UHFFFAOYSA-N 462.358 5.679 50 10 JKGE N#CC1=C(N)Oc2c(c(C(F)(F)F)nn2-c2ccc(Br)cc2)[C@@H]1c1ccccc1F 1865683913 QECDTJGBMNHDGC-OAHLLOKOSA-N 479.231 5.011 50 10 JKGE CCc1nn(Cc2c(F)cccc2Cl)c2c1[C@@H](c1ccc(OC(C)C)c(OC)c1)C(C#N)=C(N)O2 1865696411 GIODMGOPHMMUTC-QHCPKHFHSA-N 496.970 5.300 50 10 JKGE CCCc1nn(CC(C)C)c2c1[C@H](c1ccc(OCc3ccccc3Cl)cc1)C(C#N)=C(N)O2 1865703947 JJEUZQYAXKIQAK-XMMPIXPASA-N 477.008 5.942 50 10 JKGE COc1cc([C@@H]2C(C#N)=C(N)Oc3c2c(-c2ccccc2)nn3Cc2ccc(Cl)cc2)ccc1O 1865706566 ZOMWMGPXLCBRTK-HSZRJFAPSA-N 484.943 5.184 50 10 JKGE COc1ccc(-c2nn(Cc3ccccc3Cl)c3c2[C@H](c2ccc(OC)cc2)C(C#N)=C(N)O3)cc1 1865712761 HGOKDKVRSHKGBM-XMMPIXPASA-N 498.970 5.487 50 10 JKGE COc1cccc(-c2ccc(C(=O)NNC(=O)c3cc(C(F)(F)F)cc(C(F)(F)F)c3)c(C)n2)c1 1865758761 PXXHFWFTUPSTNB-UHFFFAOYSA-N 497.395 5.178 50 10 JKGE CCC[C@H](NC(=O)C[C@@H](c1ccccc1)c1ccc(F)c(F)c1)C(=O)Nc1ccc(SC#N)cc1 1867116243 ACIJCYVZUZCQOA-DHLKQENFSA-N 493.579 5.984 50 10 JKGE C[C@@H](c1cccs1)N1CCN(c2cc(Nc3ccc(SC#N)cc3)nc(-c3cccnc3)n2)CC1 1868565902 PMQXTLZKPTVWSE-IBGZPJMESA-N 499.669 5.800 50 10 JKGE O=c1c(-c2ccc(Br)cc2)coc2cc(OCc3ccc(CCl)cc3)ccc12 1871438027 KYTYNUBTZDWPIG-UHFFFAOYSA-N 455.735 6.540 50 10 JKGE N#C/C(=C\c1cc(Br)ccc1OCc1ccc(Cl)c(Cl)c1)c1nc2ccccc2[nH]1 1872726858 SENUEQYNYBHTRN-MHWRWJLKSA-N 499.195 7.275 50 10 JKGE N#C/C(=C\c1ccc(N2N=C(c3ccccc3)C[C@H]2c2ccccc2)cc1)n1cnc2ccccc21 1872727413 ZITWIPQGBYGUES-MXVRANJGSA-N 465.560 6.914 50 10 JKGE COc1cc(/C=C(\C#N)c2nc3cc(C)ccc3n2C)ccc1OC(=O)c1ccc(Cl)cc1Cl 1872727901 GMOMTKKJPNXJOG-GZTJUZNOSA-N 492.362 6.481 50 10 JKGE COc1ccc(OC)c(/C=C/C(O)=C(\C#N)c2nc(-c3cccc(Br)c3)cs2)c1 1872746048 OXGABDZOLMCCSP-PTYIPUSCSA-N 469.360 6.096 50 10 JKGE COc1ccc(/C=C(C(/O)=C(\C#N)c2nc(-c3ccc([N+](=O)[O-])cc3)cs2)\c2ccccc2)cc1 1872747171 QJBPPGQUDWQQDF-ZCKZALKTSA-N 481.533 6.760 50 10 JKGE COc1ccc(Cl)cc1N1C[C@@H](/C(O)=C(\C#N)c2nc(-c3ccccc3)cs2)CC1=O 1872747914 YZGHCTVCIOSVAN-AKKXKAEUSA-N 451.935 5.318 50 10 JKGE Cc1cc(OCCC/C(O)=C(\C#N)c2nc(-c3ccc(C(C)C)cc3)cs2)cc(C)c1Cl 1872751898 GSQMXGKGAIOBBG-GYHWCHFESA-N 467.034 7.856 50 10 JKGE CCCc1ccc(OC/C(O)=C(\C#N)c2nc(-c3ccc(OC)c4ccccc34)cs2)cc1 1872758824 RTNMLZLKMCQXGN-BZZOAKBMSA-N 456.567 6.796 50 10 JKGE COc1ccc(-c2csc(/C(C#N)=C/c3ccc(OCCc4ccccc4)c(OC)c3)n2)cc1OC 1872781388 CKXWHEQEHMIGQG-HZHRSRAPSA-N 498.604 6.522 50 10 JKGE COc1ccc(C(C)(C)C)cc1-c1csc(/C(C#N)=C/c2ccc(Cl)c([N+](=O)[O-])c2)n1 1872792995 BZRIHYVGBALSLE-OQLLNIDSSA-N 453.951 6.742 50 10 JKGE CCCOc1ccc(-c2csc(/C(C#N)=C(\O)[C@H]3CC(=O)N(C(C)C)C3)n2)cc1OCCC 1872818270 UQMQTAOTXMZVIU-LNUHTHKGSA-N 469.607 5.437 50 10 JKGE C[C@H](Br)CN(Cc1ccccc1)Cc1cc(I)ccc1Cl 1893661702 ROVIKLAMZLSFRF-ZDUSSCGKSA-N 478.599 5.730 50 10 JKGE C[C@@H]1OCC[C@@H]1[C@@H](Br)c1c(Br)sc(Br)c1Cl 1894271655 WRVXWEJUABGRLH-KZLJYQGOSA-N 453.421 5.788 50 10 JKGE C[C@H](c1ccncc1Br)[C@H](Cl)c1cc(Cl)ccc1I 1924042810 DTATWEUXUGLJJW-CLAHSXSESA-N 470.963 6.186 50 10 JKGE Clc1sc(Br)c(Cl)c1[C@@H](Br)c1cc2sccc2s1 1925587572 KNUAJFFSIYZYLY-QMMMGPOBSA-N 463.068 7.578 50 10 JKGE Cc1sc(Br)cc1[C@@H](Br)c1sc(C)c(Br)c1C 1946648474 TYBHTIOIPRTATJ-LLVKDONJSA-N 459.066 6.744 50 10 JKGE Cc1sc([C@@H](Br)c2c(Br)sc(C)c2C)cc1Br 1951015208 WNIGOKFMRVQKHI-LLVKDONJSA-N 459.066 6.744 50 10 JKGE CC[C@@H]1CN(c2c(CBr)ccc(Br)c2Cl)CCN1Cc1ccccc1 2036843302 VKTXQKSYHJWYCM-QGZVFWFLSA-N 486.679 6.098 50 10 JKGE Cc1sc(Br)c([C@@H](Cl)c2sc(Br)c(C)c2Br)c1C 2039504178 WNLKIPCGOVCMHJ-SECBINFHSA-N 493.511 7.351 50 10 JKGE Fc1ccc([C@@H](Br)c2c(Cl)cccc2Br)cc1Br 2050313651 YDLHGRLVGXWGIC-CYBMUJFWSA-N 457.362 6.488 50 10 JKGE FC1(F)CC[C@@H]2[C@H]([C@H](Cl)c3c(Br)sc(Br)c3Br)[C@H]21 2051242065 VZEFOQJDFFBAFL-JOXOMMHESA-N 485.413 6.607 50 10 JKGE COc1cc(C)c(Br)cc1[C@@H](Br)c1cc(Br)cs1 2052436307 IDRPGWINNGXRFQ-CYBMUJFWSA-N 455.009 6.074 50 10 JKGE C=C(C)[C@@H]1CC[C@]2(C)[C@H](CC[C@@H]3[C@H]([C@](C)(O)C/C=C/C(C)(C)OO)CC[C@]32C)[C@]1(C)CCC(=O)O 2069574984 LGAAOWVIOGAQEU-JJXDWBRRSA-N 490.725 7.258 50 10 JKGE C[C@H](CBr)[C@H]1CCCCN1Cc1cccc(Br)c1Br 2092329357 VPBBSOAYKRTLQX-BXUZGUMPSA-N 454.044 5.597 50 10 JKGE Brc1ccc(CN2C[C@@H]3CCC[C@@H](Br)[C@H]3C2)c(Br)c1 2094581736 PTJDLQQYIJWZLI-LEWSCRJBSA-N 452.028 5.207 50 10 JKGE Brc1cc([C@@H](Br)C2CC3(C2)CC2(CCC2)C3)sc1Br 2100920160 KQMWFVDNWLRISU-LBPRGKRZSA-N 469.080 7.070 50 10 JKGE Cl[C@H](c1c(Br)sc(Br)c1Br)[C@H]1CCn2ccnc2C1 2108963444 VFZBWNIGISHTKA-WKEGUHRASA-N 489.458 5.775 50 10 JKGE CN(Cc1cccc(Br)c1Br)C[C@@H](Br)C1CCCC1 2111363208 KHRVNFHXNWCQBK-CQSZACIVSA-N 454.044 5.597 50 10 JKGE Fc1c(Cl)cccc1C[C@@H](Br)c1cc(Br)ccc1Br 2113464619 YAJHWLRVWKQROL-GFCCVEGCSA-N 471.389 6.683 50 10 JKGE O=C(c1cc(Br)sc1Br)N1CC[C@@H](Br)CC12CCC2 2113571925 HIWMRENRQIEIOG-MRVPVSSYSA-N 472.040 5.195 50 10 JKGE Fc1ccccc1[C@H](CBr)Cc1cc(Br)ccc1Br 2118525132 QQGWYIINJDWOPG-NSHDSACASA-N 450.971 6.072 50 10 JKGE Clc1c(Br)sc(Br)c1[C@H](Br)[C@H]1C[C@H]1C1CCCCC1 2135274810 YQUOUIUAKHTDGH-ATZCPNFKSA-N 491.514 7.579 50 10 JKGE Cc1cc(Br)c(C)c([C@H](Br)C(C)(C)CC(F)F)c1Br 2136380724 WHAZCPWQYGHSKH-ZDUSSCGKSA-N 462.998 6.946 50 10 JKGE COc1cc(Cl)c([C@H](Br)c2c(Br)cnn2C)cc1Br 2137646354 QTOGXJJMYVJODR-NSHDSACASA-N 473.390 5.091 50 10 JKGE FC1(F)[C@H]([C@@H](Br)c2ccc(Br)cc2Br)C12CCCC2 2138864217 NYJMKYFKRJNAKE-NWDGAFQWSA-N 458.966 6.473 50 10 JKGE Cn1ncc2cc([C@H](Br)c3ccc(Br)cc3Br)sc21 2138873733 ZEXGQOKZAJZENB-GFCCVEGCSA-N 465.008 5.644 50 10 JKGE CC1(C)CC[C@@H](Br)[C@@H](Cc2ccc(I)c(Cl)c2)CC1 2142953106 MVXLVMSPAIKNCN-CHWSQXEVSA-N 455.605 6.467 50 10 JKGE Cc1cc(CCl)cc(S(=O)(=O)N(Cc2ccccc2)[C@H](C)C(C)(C)C)c1Br 2152244347 RWWLLUBHVARNBU-MRXNPFEDSA-N 472.876 6.122 50 10 JKGE C[C@H]1CN(Cc2ccccc2)C[C@H]1n1c(CCCl)nc2cc(Br)c(Cl)cc21 2159886453 UETYWSVTGQPLRP-VBKZILBWSA-N 467.238 5.927 50 10 JKGE C[C@@H]1CCN(Cc2ccccc2)C[C@H]1n1c(CCl)nc2cc(Cl)c(Br)cc21 2169014823 CZWWRURIAKBEJG-JLTOFOAXSA-N 467.238 6.274 50 10 JKGE Fc1c(Br)ccc(CC[C@@H](Br)c2ccc(Br)cc2)c1F 2169789978 SUQHBZFFDFMWBX-GFCCVEGCSA-N 468.961 6.559 50 10 JKGE CN(C(=O)c1cc(I)ccc1Br)[C@H]1CCCCC[C@@H]1Cl 2172548896 XGPIPVKGKAEIHL-KBPBESRZSA-N 470.576 5.066 50 10 JKGE COc1ccnc(COc2c(Br)cc(Br)cc2CBr)c1 2173203801 HXMQNXLUUHMJKP-UHFFFAOYSA-N 465.967 5.089 50 10 JKGE Cc1cc(Br)c([C@H](Br)[C@H]2C[C@@H]2C2CCOCC2)cc1Br 2200002141 RSEJTPAHSBYBHG-BFQNTYOBSA-N 467.039 6.019 50 10 JKGE Cc1cc(Br)c(C)c([C@H](Br)[C@H]2C[C@]2(C)C(F)(F)F)c1Br 2201078561 PCNMWLBWCRGOQK-WQHBLYJGSA-N 478.972 6.853 50 10 JKGE CCn1ncc(Br)c1[C@@H](Br)c1cc(C)cc(Br)c1OC 2203839623 PRGNEVRUGMWDIO-LBPRGKRZSA-N 466.999 5.229 50 10 JKGE Brc1ccc(Br)c(CN2CC[C@@H]3CC[C@@H](Br)C[C@@H]3C2)c1 2204094127 JCFRZWPSVLAGJV-OUCADQQQSA-N 466.055 5.597 50 10 JKGE Clc1cc([C@@H](Cl)c2ccc(-c3cccs3)s2)ccc1I 2205866222 OGSOUCMWOUKBQV-OAHLLOKOSA-N 451.181 7.063 50 10 JKGE CCN1C[C@@H](Br)[C@H](c2sc(Br)c(Br)c2Br)C1 2212201401 WUTRCNKSKRXAMS-PHDIDXHHSA-N 496.888 5.218 50 10 JKGE Clc1cc(Br)c([C@H](Cl)c2sccc2Br)c(Cl)c1Cl 2217614210 VWDQRECRPJPJSO-JTQLQIEISA-N 469.840 7.562 50 10 JKGE CCn1cc([C@H](Br)c2sc(Br)c(C)c2C)nc1Br 2218789519 VBAVTKUXHVVKHU-VIFPVBQESA-N 457.029 5.591 50 10 JKGE Brc1nscc1[C@@H](Br)c1ccc2c(c1Br)CCO2 2222175476 XKIBQDQSGQSKAH-NSHDSACASA-N 453.981 5.087 50 10 JKGE CCc1ccsc1[C@H](Br)c1c(Br)cc(Cl)c(Cl)c1Cl 2224303113 SBJYSDCTWRHKIU-SNVBAGLBSA-N 463.449 7.518 50 10 JKGE C[C@@H]1C[C@@H]([C@H](Br)c2c(Br)cc(Cl)c(Cl)c2Cl)CCO1 2224308547 XMLGCYVPHKVNOD-BUYFANAVSA-N 451.413 6.660 50 10 JKGE CCc1ccc([C@@H](Br)c2cc(Br)c(Br)cc2F)cc1 2225615792 LNALIDQOSQAWAU-OAHLLOKOSA-N 450.971 6.397 50 10 JKGE ClCc1nc2cc(Br)c(Br)cc2n1C1[C@H]2CN(Cc3ccccc3)C[C@H]12 2225703878 FTQGZJLIJLDYGX-KBPBESRZSA-N 495.646 5.603 50 10 JKGE Cc1cc(Br)c([C@H](Br)[C@H]2C[C@@]23CCOC3)c(C)c1Br 2227349343 RGZNMVZZGIJJCN-VCTAVGKDSA-N 453.012 5.691 50 10 JKGE Cc1cc(Br)c([C@H](Br)C2CCC(F)CC2)c(C)c1Br 2227363218 VJMXPDFFULPOCR-QKFMDRJYSA-N 457.019 6.793 50 10 JKGE COc1ccc(Br)c(CBr)c1OCc1cc(Br)sn1 2227735946 HJZKHUPHNJLMKB-UHFFFAOYSA-N 471.996 5.151 50 10 JKGE COc1cc(C)c(Br)cc1[C@H](Br)c1sc(C)c(Br)c1C 2234468242 FREZRMVCKFTMPX-AWEZNQCLSA-N 483.063 6.691 50 10 JKGE Cc1cc(Cl)ccc1[C@@H](Br)c1c(Br)cc(C)c(Br)c1C 2235604651 ORWLVOYGPGWOAI-MRXNPFEDSA-N 481.453 7.275 50 10 JKGE Cc1cc(Br)c([C@H](Br)[C@@H]2CC[C@@H]2C(F)(F)F)c(C)c1Br 2235615818 VPNVXOATGOJUQB-VYUIOLGVSA-N 478.972 6.853 50 10 JKGE Cl[C@H](c1ccc([C@@H]2CCOC2)s1)c1cc(I)ccc1Br 2240437807 DMOCWVQIRBVKRI-PSLIRLAXSA-N 483.596 5.947 50 10 JKGE CC(C)(C)OC(=O)NCCSSCCNCc1sc(Cl)cc1Br 2244953851 IPQNFMMHVAYZGK-UHFFFAOYSA-N 461.900 5.160 50 10 JKGE C[C@@H]1C[C@H]1CCCCOc1c(Br)cc(Br)cc1CBr 2265725895 RXIHYSRXJAQLPX-GHMZBOCLSA-N 455.028 6.312 50 10 JKGE CCn1nc(C)c(CBr)c1Oc1ccc(Br)cc1Br 2266645526 UPCFHKMIEBLVTA-UHFFFAOYSA-N 452.972 5.424 50 10 JKGE COc1ccc([C@@H](Br)c2ccc(Br)cc2)c(Br)c1Cl 2268265967 MHZKGVUTCSHLLZ-LBPRGKRZSA-N 469.398 6.358 50 10 JKGE COc1cc(C)c(Br)c(C)c1[C@H](Br)c1nscc1Br 2269600258 LVVYUSOOBCKRIZ-LBPRGKRZSA-N 470.024 5.778 50 10 JKGE C[C@@H]1Cc2cc([C@@H](Br)c3ccc(Cl)c(I)c3)ccc2O1 2283573314 IMRAOLPYKFTFJN-JDNHERCYSA-N 463.540 5.752 50 10 JKGE C[C@@H](Br)CN(CC(C)(C)C)C(=O)c1cccc(Br)c1Br 2288078775 PBTFUQCEKQKADW-SNVBAGLBSA-N 470.043 5.483 50 10 JKGE CC1(C)C[C@@H](C[C@H](Br)c2c(F)cc(Br)c(F)c2Br)CO1 2288358955 ZPDBUMWWNOPFBT-SFYZADRCSA-N 476.981 6.131 50 10 JKGE Fc1cc(Br)c(F)c(Br)c1[C@@H](Br)[C@H]1Cc2ccccc21 2288362777 JQIVZKATYHAREC-ZANVPECISA-N 466.945 6.266 50 10 JKGE N#CC(=Cc1ccc(Cl)cc1Cl)C(=O)Nc1ncc(Cc2cc(Cl)ccc2Cl)s1 2296500419 PHXCSAURRYSUTJ-UHFFFAOYSA-N 483.207 6.893 50 10 JKGE CCOc1ccccc1NC(SCc1cccc(F)c1)=C(C#N)C(=O)NCc1cccs1 2297414561 KXGNFHXFNQDISE-UHFFFAOYSA-N 467.591 5.683 50 10 JKGE CCOc1c(Br)cc(C=C(C#N)C(=O)Nc2ccc(C)cc2)cc1Br 2313567262 FREGETCFHPSYFR-UHFFFAOYSA-N 464.157 5.464 50 10 JKGE CCOc1ccc(C=C(C#N)C(=O)N(c2cc(C)ccc2C)S(=O)(=O)c2ccccc2)cc1OC 2314777498 HPKDSTQDYPFHLT-UHFFFAOYSA-N 490.581 5.040 50 10 JKGE Fc1c(Br)cc(Cl)c([C@H](Br)[C@@H]2CC[C@H](F)C2)c1Br 2315439290 CLJXHDRQUJWUQC-GOZTUDAPSA-N 467.373 6.578 50 10 JKGE COc1ccc(CC(=O)Oc2ccc(C=C(C#N)c3cccc(Cl)c3)cc2OC)cc1OC 2318356277 KOZHUIVFCMLVHF-UHFFFAOYSA-N 463.917 5.578 50 10 JKGE COc1ccc(NC(=O)C(C#N)=CNc2ccc(-c3nc4ccc(C)cc4s3)cc2)cc1Cl 2324404226 JYZPMJPLEJGWOW-UHFFFAOYSA-N 474.973 6.392 50 10 JKGE CCOc1cc(C=NNC(=O)[C@@H](NC(=O)OC(C)(C)C)[C@@H](C)CC)ccc1OCc1ccccc1 2328796395 NWUBTELMOZYHKQ-CYFREDJKSA-N 483.609 5.054 50 10 JKGE COc1c(Cl)ccc(Cl)c1C(O)=C(C#N)c1nc(-c2ccc(-c3ccccc3)cc2)cs1 2331231971 DWPDIIIYVGRPDF-UHFFFAOYSA-N 479.388 7.742 50 10 JKGE CCCOc1ccc(-c2csc(C(C#N)=C(O)COc3ccccc3CC)n2)cc1OCCC 2331293759 ZEYBEIKMEDUHKY-UHFFFAOYSA-N 478.614 6.822 50 10 JKGE CCc1cccc(C)c1N1C[C@@H](C(O)=C(C#N)c2nc(-c3ccc4c(c3)OCO4)cs2)CC1=O 2331335897 WIUDPHIPBKQUNF-SFHVURJKSA-N 473.554 5.255 50 10 JKGE COc1ccc(C(C)(C)C)cc1-c1csc(C(C#N)=C(O)Cc2cc(Cl)ccc2Cl)n1 2331349523 ZWRGQHIIAKZTIZ-UHFFFAOYSA-N 473.425 7.458 50 10 JKGE COc1c(Cl)cc(Cl)cc1-c1csc(C(C#N)=C(O)C=Cc2ccc([N+](=O)[O-])cc2)n1 2331364210 RPWSBPRRZLQXKZ-UHFFFAOYSA-N 474.325 6.540 50 10 JKGE Cc1nc2ccc(C(O)=C(C#N)c3nc(-c4cc(Cl)ccc4Cl)cs3)cc2nc1C 2331404701 XWIIUYCLKZDVNX-UHFFFAOYSA-N 453.354 6.627 50 10 JKGE CCOc1c(Br)cc(C=C(C#N)c2nc(-c3ccccc3Cl)cs2)cc1OC 2331430585 MJQAQEQBWOFOAO-UHFFFAOYSA-N 475.795 6.697 50 10 JKGE COc1ccc(-c2csc(C(C#N)=Cc3ccc(OCCCc4ccccc4)c(OC)c3)n2)cc1 2331431493 MOWGABPNZIPZPX-UHFFFAOYSA-N 482.605 6.903 50 10 JKGE CSC1CC(CC(CBr)(CBr)c2cccc(Br)c2)C1 2335778454 WTHDNKXZWRRDGH-UHFFFAOYSA-N 471.096 6.008 50 10 JKGE Brc1ccc(OCc2ccccc2)c([C@H](Br)[C@@H]2C[C@H]3CCC[C@H](C3)C2)c1 2336044433 OBOLNEKMYVBXAB-GKAYAJSDSA-N 478.268 7.681 50 10 JKGE COc1ccc(C[C@@H](Br)c2cc(Br)ccc2OCc2ccccc2)cc1 2336046168 BSEKILPCZWRKQU-OAQYLSRUSA-N 476.208 6.715 50 10 JKGE Brc1cc(OCc2ccccc2)ccc1[C@H](Br)[C@H]1C[C@@H]1C1CCCCC1 2336048560 VKQXCRVXKUWJIT-GIWBLDEGSA-N 478.268 7.681 50 10 JKGE CO[C@@H]1C[C@H]([C@@H](Br)c2ccc(OCc3ccccc3)cc2Br)C12CCC2 2336085075 ZDCJDMAUEUCYSE-NRSPTQNISA-N 480.240 6.669 50 10 JKGE COc1c(Br)cc(Cl)cc1[C@H](Br)c1c(Br)ncn1C 2337272573 KQLYEPSNFQOSED-VIFPVBQESA-N 473.390 5.091 50 10 JKGE CC(C)Oc1cccc([C@@H](Br)c2sc(Cl)cc2I)c1 2338558148 HAQYGLPHYXBISV-CYBMUJFWSA-N 471.585 6.278 50 10 JKGE Cc1cc(Br)c(F)c(Br)c1[C@H](Br)[C@@H]1C[C@@H]1C(C)(F)F 2339686225 LJTUCXXALAOWHO-MATHAZKKSA-N 464.945 6.386 50 10 JKGE Clc1ccc(C[C@@]2(CBr)CCC=CCCC2)c(I)c1 2341051654 QGGSQNDDYXCPMO-MRXNPFEDSA-N 453.589 6.389 50 10 JKGE Clc1c(Br)sc(Br)c1[C@@H](Cl)[C@H]1C[C@@H]2CCCCCC[C@@H]21 2354882037 FHXFKUIACALXPK-GMOBBJLQSA-N 461.090 7.813 50 10 JKGE Cc1cc(I)c(O[C@@H]2C[C@H](Br)[C@@H]2OCC(C)C)cc1Cl 2361689038 HIIPHYRBTKBDLD-VQISRLSMSA-N 473.576 5.209 50 10 JKGE CCc1ccc(OC)c([C@H](Cl)c2ccc(Br)cc2I)c1 2361921002 QLRIGIJHRBFQMY-MRXNPFEDSA-N 465.556 5.953 50 10 JKGE Fc1c(Br)cc(Cl)c([C@H](Br)[C@@H]2C[C@@H]3CC[C@H](C2)O3)c1Br 2362227284 CKXGZZRGZFKTIJ-BSFVXNEUSA-N 491.420 6.398 50 10 JKGE Fc1cccc([C@@H](CBr)OCc2ccc(Cl)cc2I)c1 2365644267 BSVKPVLMEIHFCK-OAHLLOKOSA-N 469.519 5.737 50 10 JKGE O=C(c1scc(Br)c1Br)N1CCC[C@H](Cl)[C@H]1C(F)(F)F 2370265126 AQEOZBYKTSJVIH-RCOVLWMOSA-N 455.521 5.047 50 10 JKGE CC(C)(C)OC(=O)Nc1ccc([S@](C)(=O)=NC[C@](C)(CBr)C(C)(C)C)cc1 2380199933 PZCWYUKTVLDOCD-DCFHFQCYSA-N 461.466 5.938 50 10 JKGE Cc1cc(C)c(C)c(Cn2ccc3c(/C=N/NC(=O)c4ccc(O)c(C#N)c4)cccc32)c1C 1548961 HNTXQDRFWJBZGO-FJEPWZHXSA-N 450.542 5.264 50 10 JKGE CC[C@@H](Oc1ccc2ccccc2c1Br)C(=O)N/N=C/c1c(C)cc(C)cc1C 20572856 OINCUUNHNWFIIU-ODDBZWQPSA-N 453.380 5.835 50 10 JKGE Cc1ccccc1C(=O)Oc1ccc2c(c1)OC(N)=C(C#N)[C@H]2c1ccc(Cl)cc1Cl 38655120 YMJGVTDYZHWBLU-QFIPXVFZSA-N 451.309 5.739 50 10 JKGE CCCCCOc1cccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4ccc(Cl)cc4)ccc32)c1 38684771 BWHWZNJQVMLEGI-SANMLTNESA-N 488.971 6.346 50 10 JKGE C=CCOc1ccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)C4CCC(CCCC)CC4)ccc32)cc1 38688592 PWMLGFVJWKRBAQ-FEPYILBSSA-N 486.612 6.372 50 10 JKGE C=CCOc1cccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4ccccc4OCCCC)ccc32)c1 40529921 UNAZHBJUHGDJTN-MUUNZHRXSA-N 496.563 5.868 50 10 JKGE COc1cc(/C=N/NC(=O)COc2ccc(C)cc2)ccc1OCc1c(Cl)cccc1Cl 40911585 VYBKKPPPQLANMC-UVHMKAGCSA-N 473.356 5.419 50 10 JKGE CCCCOc1ccc(/C=C(\C#N)C(=O)Nc2nc(-c3ccc(OCCCC)cc3)cs2)cc1 40927350 ZHPNSMOESDOJOB-OQKWZONESA-N 475.614 6.714 50 10 JKGE Cc1ccc(NC(=O)CCC(=O)NN=C(/C=C/c2ccccc2)/C=C/c2ccccc2)c(C)c1 58951019 BFSYPDBUCUUYSL-YXLFCKQPSA-N 451.570 5.921 50 10 JKGE Cc1cc(/C=N/NC(=O)c2cc3ccccc3o2)c(C)n1-c1ccc(Oc2ccc([N+](=O)[O-])cn2)cc1 59304244 KPJYNBJHHGHNNA-WKULSOCRSA-N 495.495 5.700 50 10 JKGE N#C/C(=C\c1cc(Br)ccc1OCc1cccc2ccccc12)c1ccc([N+](=O)[O-])cc1 59536681 MVUFUYFEBFQESU-HYARGMPZSA-N 485.337 7.154 50 10 JKGE N#C/C(=C/c1ccc(OCc2ccc(F)cc2)c(Br)c1)C(=O)Nc1cccc([N+](=O)[O-])c1 108481329 VAERJMLVQLBDNT-YVLHZVERSA-N 496.292 5.621 50 10 JKGE Clc1cc(Br)ccc1[C@@H](Br)c1cc2c(cc1Br)OCCO2 109865496 KOJUEGYSUUOOCK-OAHLLOKOSA-N 497.408 6.121 50 10 JKGE Cc1ccc(Br)cc1[C@H](Br)c1cc2c(cc1Br)OCCO2 115746926 FQHFNDGLGBZCEV-INIZCTEOSA-N 476.990 5.776 50 10 JKGE BrCC(CBr)(CCC[C@@H]1CCCO1)c1ccccc1Br 118878957 XZPJQKWTXHYCMQ-CYBMUJFWSA-N 469.055 5.826 50 10 JKGE Clc1cc([C@H](Br)c2ccc3cc(Br)ccc3c2)sc1Br 159681537 YZHXIVLPDVTXQF-CQSZACIVSA-N 495.461 7.564 50 10 JKGE Cc1ccc(Br)c([C@H](Br)c2cc(Cl)c(Br)s2)c1 161288129 JOVKPRATDZJCSF-NSHDSACASA-N 459.428 6.719 50 10 JKGE COc1cc(Cl)c([C@@H](Br)c2ccc(Br)cc2Cl)cc1Cl 164521278 ZYSRUGNCWKOHFD-AWEZNQCLSA-N 459.392 6.902 50 10 JKGE COc1ccc2ccccc2c1/C=N/NC(=O)c1ccc2[nH]c(-c3ccccc3Cl)nc2c1 169926676 UHCDZSKHLTXGNT-RWPZCVJISA-N 454.917 5.809 50 10 JKGE BrCc1cc(Br)ccc1OCc1cc(Br)cc2c1OCC2 228486162 IWYFQNVRSQGRCT-UHFFFAOYSA-N 476.990 5.620 50 10 JKGE Cc1cc([C@@H](Br)c2cc(Cl)ccc2I)c(C)cc1Cl 235863193 PFIKIXHCSJKDAQ-OAHLLOKOSA-N 469.975 6.699 50 10 JKGE ClCc1cc(Br)c(OCc2ccccc2Br)c(Br)c1 236020736 QFVRFSYBAHRXTJ-UHFFFAOYSA-N 469.398 6.292 50 10 JKGE CC(C)c1cc(C(=O)NN=Cc2cn(Cc3ccc(Cl)cc3Cl)c3ccccc23)cs1 263630399 ZCFFQUBPJRIIPC-UHFFFAOYSA-N 470.425 6.945 50 10 JKGE Fc1ccc(Br)c([C@H](Cl)c2scc(C(F)(F)F)c2Br)c1 312893004 WRFVEHSDRYVBHX-JTQLQIEISA-N 452.492 6.759 50 10 JKGE C[C@@H](Br)C[C@H]1CCCCN1C(=O)c1cc(Br)cc(Br)c1 312938879 HETMQWZMPFETLQ-QMTHXVAHSA-N 468.027 5.380 50 10 JKGE Cc1cccc([C@@H]2CN(Cc3ccccc3)C[C@@H]2CI)c1Br 382698350 BPQJGTCXAMKWRK-FUHWJXTLSA-N 470.192 5.408 50 10 JKGE C[C@H](Cl)c1nc2cc(Br)c(F)cc2n1C[C@@H]1CCCN1Cc1ccccc1 390549075 WVGFXPUFGZWAOW-HOCLYGCPSA-N 450.783 5.902 50 10 JKGE CC(C)(CBr)CCCNC(=O)c1cc(Br)cc(Br)c1 393401073 YKJSJSSBJONJPX-UHFFFAOYSA-N 456.016 5.143 50 10 JKGE C=C1CC[C@H](O[Si](C)(C)C(C)(C)C)C/C1=C/C=C1/CCC[C@]2(C)[C@@H]1CC[C@H]2[C@@H](C)CCCC(C)C 504233579 DWIUSINKAVTSCC-IZKRJUBJSA-N 498.912 10.649 50 10 JKGE CC(C)(C)OC(=O)NCCN1C[C@@H](c2cccc(CO[Si](C)(C)C(C)(C)C)c2)Cc2ccccc21 616671442 JQVTUTLHEICXJT-VWLOTQADSA-N 496.768 6.879 50 10 JKGE CC(C)(C)OC(=O)Nc1ccc([C@@H]2CN(CCO[Si](C)(C)C(C)(C)C)CCCO2)cc1 616681648 RFJBFKJHVLFRDZ-NRFANRHFSA-N 450.696 5.819 50 10 JKGE Cl[C@H](c1cc(Br)c(Br)s1)c1ncsc1Br 698609427 KKSYWBVMGFLMMK-RXMQYKEDSA-N 452.418 5.820 50 10 JKGE COc1ccc(O[C@H]2C[C@H](Br)C23CCCCC3)cc1I 712928210 AJAPORFJOMWZJT-GJZGRUSLSA-N 451.142 5.165 50 10 JKGE Cl[C@H](c1ccc(I)c(Br)c1)c1ccc(Br)s1 721590444 XWZRPEUNXVHAJJ-LLVKDONJSA-N 492.401 6.206 50 10 JKGE N#C/C(=C/c1ccccc1OCc1ccc(Cl)c(Cl)c1)C(=O)Nc1ccccc1Cl 1084439965 RWRZTNTXWGLULS-ATVHPVEESA-N 457.744 6.771 50 10 JKGE CCc1ccccc1NC(=O)c1oc2c(c1C)C(=NNC(=O)c1cccc3ccccc13)CCC2 1772746890 BGFAVRKYLUERPI-UHFFFAOYSA-N 465.553 6.026 50 10 JKGE O=C(/C=C/c1ccccc1)NN=C1C(=O)N(Cc2ccccc2Cl)c2ccc(Br)cc21 1772752439 MKDOHVKCFPRKAI-PJAKPSSESA-N 494.776 5.183 50 10 JKGE CCOC(=O)c1c(NC(=O)NN=Cc2cccc(Oc3ccccc3)c2)sc2c1CC[C@@H](C)C2 1772753071 BGKPTDXKDHMNMC-QGZVFWFLSA-N 477.586 5.998 50 10 JKGE CCOc1ccc(C=NNC(=O)CCCOc2ccc(C(C)(C)C)cc2Br)cc1OC 1772755531 LDOZNBGBPNFLHM-UHFFFAOYSA-N 491.426 5.463 50 10 JKGE CC(C)c1ccc([C@H]2C(C#N)=C(N)Oc3c2c(C(F)(F)F)nn3Cc2ccccc2F)cc1 1865684903 BMXRCMHAVUQLMX-IBGZPJMESA-N 456.443 5.431 50 10 JKGE CCOc1cc([C@H]2C(C#N)=C(N)Oc3c2c(C)nn3-c2ccccn2)ccc1OCc1ccc(C)cc1 1865689337 QAIJMEWLGJUUDP-MHZLTWQESA-N 493.567 5.080 50 10 JKGE CCCc1nn(-c2cccc(Cl)c2)c2c1[C@H](c1ccc(OCc3ccccc3)cc1)C(C#N)=C(N)O2 1865690610 WWWLQNXWOWSTOW-AREMUKBSSA-N 496.998 6.275 50 10 JKGE C=CCOc1ccccc1[C@H]1C(C#N)=C(N)Oc2c1c(-c1ccc(OC)cc1)nn2-c1ccccc1 1865691315 PHKMZIXKMQJDSF-VWLOTQADSA-N 476.536 5.331 50 10 JKGE CCOc1ccc([C@H]2C(C#N)=C(N)Oc3c2c(CC)nn3-c2ccc(Cl)c(Cl)c2)cc1 1865694940 GDFLPOKSOQZLHR-FQEVSTJZSA-N 455.345 5.358 50 10 JKGE CCCc1nn(-c2cccc(Cl)c2)c2c1[C@H](c1cc(Br)ccc1O)C(C#N)=C(N)O2 1865695579 DYLRKCQYLUUADQ-LJQANCHMSA-N 485.769 5.164 50 10 JKGE COc1ccc(-c2nn(-c3ccccc3Cl)c3c2[C@@H](c2ccc(F)cc2F)C(C#N)=C(N)O3)cc1 1865702085 MIHXNDGMWXMRGL-QFIPXVFZSA-N 490.897 5.698 50 10 JKGE Cc1nn(Cc2ccccc2)c2c1[C@H](c1c(OCc3ccccc3)ccc3ccccc13)C(C#N)=C(N)O2 1865703893 IBKUJYIOJVHDEV-SSEXGKCCSA-N 498.586 6.190 50 10 JKGE CCc1nn(-c2ccccn2)c2c1[C@H](c1ccccc1OCc1ccc(Cl)cc1)C(C#N)=C(N)O2 1865704533 YDHAZXMERFPHIT-XMMPIXPASA-N 483.959 5.280 50 10 JKGE CCc1nn(Cc2cccc(Cl)c2)c2c1[C@H](c1cccc(OCc3ccccc3)c1)C(C#N)=C(N)O2 1865711766 HPRNEXQAHUQEFT-AREMUKBSSA-N 496.998 5.944 50 10 JKGE COc1ccc([C@@H]2C(C#N)=C(N)Oc3c2c(-c2ccccc2)nn3-c2cccc3ccccc23)cc1 1865713050 PQEITJCPHUVHMO-AREMUKBSSA-N 470.532 5.919 50 10 JKGE C[C@@H](Cl)CNC(=O)CCCOc1c(Br)cc(C(C)(C)C)cc1Br 1865938414 WCXFNJZAUZWNED-LLVKDONJSA-N 469.645 5.412 50 10 JKGE N#CSc1ccc(NC(=O)[C@@H](NC(=O)C[C@@H](c2ccccc2)C2CC2)c2ccccc2)cc1 1866720561 OENOFXXDUVFFEQ-AHWVRZQESA-N 455.583 5.640 50 10 JKGE Cc1ccc(-c2nc(Nc3ccc(SC#N)cc3)cc(N3CCC(N4CCCCCC4)CC3)n2)cc1 1868320859 PZPSAXKQUSRKBG-UHFFFAOYSA-N 498.700 6.614 50 10 JKGE CC[C@H](C)[C@H](/C(O)=C(\C#N)c1nc(-c2ccc3c(c2)CCCC3)cs1)N1C(=O)c2ccccc2C1=O 1872745359 JOHJLASJSPPJNH-LACGIFFPSA-N 497.620 6.192 50 10 JKGE COc1ccc(/C=C/C(O)=C(\C#N)c2nc(-c3ccc(Oc4ccccc4)cc3)cs2)cc1OC 1872753655 HXGXCDVGVBRMMC-VOWGDBMJSA-N 482.561 7.126 50 10 JKGE CCOc1ccc(OCC)c(-c2csc(/C(C#N)=C(\O)[C@@H](C)Oc3ccccc3C(C)C)n2)c1 1872754838 LMJJRHKRNZEGQA-PPFHAMGKSA-N 478.614 6.991 50 10 JKGE COc1ccc(-c2csc(/C(C#N)=C/c3ccc(OCc4ccc(C)cc4)cc3)n2)cc1C 1872781139 WHDAAAPEHVFBCY-BUVRLJJBSA-N 452.579 7.079 50 10 JKGE N#C/C(=C(/O)Cc1ccc(OCc2ccccc2)cc1)c1nc(-c2ccc3ccccc3c2)cs1 1873940660 BRAZNKWVNNXHMY-OHYPFYFLSA-N 474.585 7.578 50 10 JKGE C[C@H](CCBr)N(Cc1ccccc1)C(=O)c1cccc(F)c1I 1915107507 VUFRBDKRZPVEIN-CYBMUJFWSA-N 490.154 5.246 50 10 JKGE CCc1ccc([C@@H](Br)c2sc(Br)c(C)c2Br)cc1 1922946383 QOBXIHWPSZMXPL-GFCCVEGCSA-N 453.037 6.628 50 10 JKGE Cl[C@H](c1c(Br)sc(Br)c1Br)[C@@H]1C[C@H]2C[C@H]1[C@H]1C[C@@H]12 1924569738 ZMWKCHMHVYLIMJ-HGHWUMMASA-N 475.471 6.608 50 10 JKGE O=C(Nc1ccc(CBr)cc1)c1csc(Br)c1Br 2032953873 RSRRFRYQHUOLHF-UHFFFAOYSA-N 453.981 5.420 50 10 JKGE N#CC(=C(Cl)c1ccc(I)c(Br)c1)c1cscn1 2035101513 QRQBUVYNRJFDAE-UHFFFAOYSA-N 451.514 5.141 50 10 JKGE Cc1oc(Br)cc1[C@@H](Br)c1cc(Br)c(Cl)cc1F 2036580881 WFPJCFOSDASWIA-GFCCVEGCSA-N 461.350 6.390 50 10 JKGE CC(C)(C)OC(=O)NCCSSCCN[C@@H]1CCC[C@H]1[C@H]1CCCN1C(=O)OC(C)(C)C 2061265750 LKPDFNVVLDJKTN-GUDVDZBRSA-N 489.748 5.050 50 10 JKGE Cl[C@H](c1c(Br)sc(Br)c1Br)C1(CC2CCC2)CC1 2069581519 SNPHJDMPWKFTJE-SNVBAGLBSA-N 477.487 7.286 50 10 JKGE COc1c(Br)cc(C)cc1[C@@H](Br)c1sccc1Br 2083446363 OELKKYGSXDAEBA-LLVKDONJSA-N 455.009 6.074 50 10 JKGE Cc1ncsc1CC(CBr)(CBr)c1ccccc1Br 2096119153 CKLBYZZHRZIALB-UHFFFAOYSA-N 468.052 5.484 50 10 JKGE Cc1cc([C@H](Cl)c2scc(C(F)(F)F)c2Br)c(Br)s1 2101013459 CLCJPLDEMGHXBN-QMMMGPOBSA-N 454.558 6.990 50 10 JKGE ClCCc1nc2cc(Br)c(Cl)cc2n1CCCCOCc1ccccc1 2103625104 SREGNYSJNAHPHW-UHFFFAOYSA-N 456.211 6.231 50 10 JKGE Cn1ncc(COc2c(Br)cc(Br)cc2CCl)c1Br 2116619147 DMARBZYLNUKINP-UHFFFAOYSA-N 473.390 5.025 50 10 JKGE C[C@@H]1CCC[C@@]12[C@@H](Oc1ccc(Br)cc1Br)C[C@H]2Br 2117008865 WZHMGEAABOWFRX-ZAOWEBSESA-N 453.012 5.933 50 10 JKGE C[C@H](CCCCCI)NC(=O)c1ccc(Br)cc1Cl 2117893493 IFTMXAQSISQRPH-SNVBAGLBSA-N 458.565 5.216 50 10 JKGE CCC[C@H](Br)c1cn(-c2ccc(Cl)c(I)c2Cl)nn1 2121063851 IKJSTBWNXZMAIH-ZETCQYMHSA-N 474.955 5.415 50 10 JKGE BrCc1ccc(N2CCCc3ccc(Br)cc32)c(Br)c1 2145160809 CZXPKTHUNIQMFI-UHFFFAOYSA-N 460.007 6.191 50 10 JKGE O=S(=O)(c1cc(CBr)ccc1F)N(Cc1ccccc1)CC1CCCCC1 2179785070 HJNIBOIZKCKYNF-UHFFFAOYSA-N 454.405 5.492 50 10 JKGE CC1(C)CCC2(CC1)CC(O[C@@]1(CI)CCCN(C(=O)OC(C)(C)C)C1)C2 2193411651 FUNFBDWKRNKVJG-JOCHJYFZSA-N 491.454 5.957 50 10 JKGE COc1cc(Br)c([C@@H](Br)C2CC(Br)C2)c(OC)c1OC 2196890885 MKTCEPNPKQKGSV-TYAJBCFHSA-N 472.999 5.084 50 10 JKGE CCCNCc1cc(Br)cc(Br)c1OC[C@H]1C[C@@H](Br)C1 2196906067 ZAAYHENNECZJOC-KLPPZKSPSA-N 470.043 5.264 50 10 JKGE Cc1c(Br)ccc([C@H](Br)Cc2cccc(F)c2F)c1Br 2203690232 ZTRXLDGVWCLTPR-GFCCVEGCSA-N 468.961 6.477 50 10 JKGE Fc1ccc(Br)c(CO[C@H](CI)c2ccc(Cl)cc2)c1 2206280759 XWYJWSSCAWVREN-OAHLLOKOSA-N 469.519 5.935 50 10 JKGE Cc1sc(C[C@H](Br)c2cccc(Br)c2)c(C)c1Br 2218930503 DJEBJMBTJWIMPU-LBPRGKRZSA-N 453.037 6.569 50 10 JKGE Cl[C@H]1C[C@@H](c2sc(Br)c(Br)c2Br)CC2(CCC2)C1 2222451305 YZLPEPVQIGKRRY-SFYZADRCSA-N 477.487 7.081 50 10 JKGE C[C@H](C[C@@H](Br)c1c(Br)cc(Cl)c(Cl)c1Cl)C(C)(C)C 2224303494 XPJQHDZEDQTHCV-HTQZYQBOSA-N 451.457 7.918 50 10 JKGE Fc1cc(Br)c(Br)cc1[C@H](Cl)c1c(Cl)cccc1Br 2225615495 HZZNFEYLZFGDIL-ZDUSSCGKSA-N 491.807 7.095 50 10 JKGE Cc1ccc([C@@H](Br)c2cc(Br)c(Br)cc2F)cc1Cl 2225617276 NOGGBFYCTATIHI-CQSZACIVSA-N 471.389 6.797 50 10 JKGE Fc1cc(Br)c(Br)cc1[C@@H](Br)[C@@H]1COCCC1(F)F 2225619980 PDOIZFUQWOBNFY-WRWORJQWSA-N 466.917 5.459 50 10 JKGE Cc1cc(Br)c([C@@H](Br)[C@@H]2CC3(CC3)CO2)c(C)c1Br 2227351862 OBTFXRJIUSKTQK-FZMZJTMJSA-N 453.012 5.834 50 10 JKGE Clc1cc(Br)c([C@H](Br)C[C@H]2CCC23CCC3)c(Cl)c1Cl 2232509886 FMQMAMXPHNFNAH-RKDXNWHRSA-N 461.452 7.816 50 10 JKGE Cc1cc(Br)c([C@H](Br)c2cc3cscc3s2)c(C)c1Cl 2232513138 PTEIUKPJPRWAKP-CQSZACIVSA-N 450.648 7.480 50 10 JKGE Cc1cc(Br)c([C@@H](Cl)c2ccc(Br)cc2Cl)c(C)c1Cl 2232531130 YGYZPWMJXXKZGP-HNNXBMFYSA-N 457.420 7.463 50 10 JKGE FC1(F)[C@H]2CCC[C@@H]1C[C@H]([C@@H](Br)c1cc(Br)c(Br)s1)C2 2233640343 UPAJFMMYSLGSIJ-JXVAYASWSA-N 493.049 7.171 50 10 JKGE CCOC1CC(C[C@@H](Br)c2c(Br)cc(C)c(Br)c2C)C1 2235601812 BEKXKIRGBBGGPO-ORHYLEIMSA-N 469.055 6.470 50 10 JKGE Fc1cc(Br)cc([C@H](Br)c2ccc3c(c2Br)CCO3)c1 2238081263 DMWOJPHQPRNLNJ-AWEZNQCLSA-N 464.954 5.770 50 10 JKGE C[C@@H](CCBr)N(Cc1ccccc1)C(=O)c1c(F)cccc1I 2243441845 IXNQAYARWWYBJH-ZDUSSCGKSA-N 490.154 5.246 50 10 JKGE COC1([C@@H](Br)c2c(Br)sc(Br)c2Cl)CC(C)C1 2247496474 OQPLRPRDUVWLDN-QHCBANEHSA-N 467.448 6.178 50 10 JKGE COc1cccc([C@H](Br)c2sc(Br)cc2Br)c1Cl 2256321231 NITOCNBMGBTVBZ-JTQLQIEISA-N 475.427 6.419 50 10 JKGE C[C@@H](C[C@@H](Br)c1c(F)cc(Br)c(F)c1Br)C(F)F 2260065127 GLJBPIPJEJUQPK-CRCLSJGQSA-N 456.897 6.217 50 10 JKGE CCc1cscc1[C@@H](Br)Cc1cc(Br)cc(Br)c1 2263518465 FBZZPEZDNVKINI-AWEZNQCLSA-N 453.037 6.514 50 10 JKGE COc1ccc([C@H](Br)c2cc(Br)n(C)n2)c(Br)c1Cl 2268267789 JATKWYJAORDXPR-JTQLQIEISA-N 473.390 5.091 50 10 JKGE Cc1cc(Cl)c(Cl)cc1[C@H](Cl)c1c(Br)sc(Br)c1Cl 2270988571 IOOUZOOUEDMMSA-VIFPVBQESA-N 483.867 7.870 50 10 JKGE CCc1nc([C@H](Cl)c2cc3sc(Br)cc3s2)c(Br)s1 2278106115 JXGURJCRUBUIGX-SNVBAGLBSA-N 457.665 6.835 50 10 JKGE Fc1cc([C@@H](Cl)c2cc(Br)c(Cl)cc2F)c(Cl)cc1Br 2282899864 SZYHBGYQHHIWPQ-CYBMUJFWSA-N 465.346 7.125 50 10 JKGE COc1c([C@@H](Br)c2scc(C(F)(F)F)c2Br)csc1C 2287220913 SLGPZQIWXICEDI-MRVPVSSYSA-N 450.139 6.392 50 10 JKGE Cc1ccc(NC(=O)C(C#N)=C2S[C@H](Cc3ccc(F)cc3)C(=O)N2c2ccc(Cl)cc2)cc1 2293045945 YNYZFRDDVUFFGX-HSZRJFAPSA-N 491.975 5.853 50 10 JKGE Cc1cc(C)c(C)c([C@@H](Br)Cc2cc(Br)cc(Br)c2)c1 2295330895 BBLPRQJDWNBFJN-KRWDZBQOSA-N 461.035 6.816 50 10 JKGE CCOc1cc(C=C(C#N)C(=O)Nc2cccc(C(F)(F)F)c2)cc(Br)c1O 2297343736 YDWJDOCFBFPJLY-UHFFFAOYSA-N 455.230 5.118 50 10 JKGE CCCN1CC(=Cc2ccccc2Cl)C2=C(C1)[C@H](c1ccccc1Cl)C(C#N)=C(N)O2 2297455222 GNLYZBQDDKUARK-HSZRJFAPSA-N 452.385 5.864 50 10 JKGE Cc1ccc(NC=C(C#N)c2nc(-c3ccccc3)c(NC(=O)c3ccc(C)cc3)s2)cc1 2297456262 KQGPMYTWPRABEP-UHFFFAOYSA-N 450.567 6.656 50 10 JKGE CC1=CCCC(C)(C)[C@@H]1C=CC(C)=NNC(=O)[C@@H](Oc1ccc([N+](=O)[O-])cc1)c1ccccc1 2297672095 DALOJSKOXGMURY-RPBOFIJWSA-N 461.562 6.146 50 10 JKGE CC(C)(C)[C@@H]1C[C@@H]1[C@H](Br)c1cc(Br)ccc1OCc1ccccc1 2299502002 SQXYQDQTGWIVCE-HQRMLTQVSA-N 452.230 7.146 50 10 JKGE CC1(C)CC(C[C@H](Br)c2cc(Br)ccc2OCc2ccccc2)C1 2299530463 MFKXQGZCYFBPDT-IBGZPJMESA-N 452.230 7.290 50 10 JKGE CC[C@](C)(C(F)F)[C@H](Br)c1cc(Br)ccc1OCc1ccccc1 2299825851 PNYAXTUELGQCQF-MJGOQNOKSA-N 462.172 7.146 50 10 JKGE COc1c([C@H](Br)c2sc(Cl)cc2I)csc1Cl 2300955891 RTAGTDYEMIFZLU-ZETCQYMHSA-N 484.005 6.214 50 10 JKGE Cc1cc(Br)sc1[C@H](Cl)c1c(Br)c(Br)nn1C 2301046907 UIZNQULEISBHCX-SSDOTTSWSA-N 463.420 5.406 50 10 JKGE COc1cc([C@H](Br)c2sc(Cl)cc2I)sc1Cl 2301932314 DGPVOAXYJCQNGX-QMMMGPOBSA-N 484.005 6.214 50 10 JKGE Brc1cc(CC[C@@H](Br)C2CCCC2)ccc1I 2306209003 ASMXDPDBDCUESL-GFCCVEGCSA-N 472.002 5.940 50 10 JKGE N#CC(=Cc1ccc(-c2ccc(Cl)cc2[N+](=O)[O-])o1)C(=O)Nc1cccc(Cl)c1Cl 2313571367 UPLRZZLPEMOQOE-UHFFFAOYSA-N 462.676 6.361 50 10 JKGE N#CC(=Cc1cn(Cc2ccccc2Cl)c2ccc(Br)cc12)C(=O)NC[C@H]1CCCO1 2313624161 NZRQLNJBJWPXPJ-HXUWFJFHSA-N 498.808 5.308 50 10 JKGE CCOc1cc(C=C(C#N)C(=O)Nc2cc(Cl)ccc2Cl)cc(Br)c1OCC 2313630932 ICFSEJFRYNXRON-UHFFFAOYSA-N 484.177 6.099 50 10 JKGE CCc1ccc(NC(=O)C(C#N)=Cc2ccc(OCc3ccc(Br)cc3)c(OC)c2)cc1 2313683519 YTISEMJPEVCWQJ-UHFFFAOYSA-N 491.385 6.145 50 10 JKGE Brc1ccc(OCc2ccccc2)c([C@@H](Br)c2cc3c(s2)CCC3)c1 2314486172 DGOVCBQLYQZRAA-OAQYLSRUSA-N 478.249 7.063 50 10 JKGE Brc1cc(OCc2ccccc2)ccc1[C@H](Br)[C@@H]1C[C@@H]2CCCC[C@H]21 2314502884 MXFLWELOCWOMFD-ZMUPPCTCSA-N 464.241 7.290 50 10 JKGE Cc1c(Cl)sc(Cl)c1[C@@H](Br)c1cccc(F)c1I 2314519125 ZXSXJWOZQWGTMG-VIFPVBQESA-N 479.967 6.591 50 10 JKGE CCOc1cc(C=C2C(=O)N(C3CCCC3)C(=O)C(C#N)=C2C)ccc1OCc1ccccc1F 2314616786 JTSLCZKFMVNJFY-UHFFFAOYSA-N 474.532 5.338 50 10 JKGE N#CC1=C(N)Oc2cc(OC(=O)C=Cc3ccc(Cl)cc3Cl)ccc2[C@H]1c1cccs1 2314634597 MKHXDNGLXYXJIQ-JOCHJYFZSA-N 469.349 5.892 50 10 JKGE COc1ccc(C(C#N)=Cc2cccc(OC(=O)C(c3ccccc3)c3ccccc3)c2)cc1OC 2318356267 IKHPRHMZKAVKPO-UHFFFAOYSA-N 475.544 6.505 50 10 JKGE Clc1cc(Br)c(COc2ccc(Br)c(CBr)c2)s1 2322453048 FNFJOQKJJHCWDO-UHFFFAOYSA-N 475.427 6.400 50 10 JKGE N#CC(=CN1CCN(C(c2ccccc2)c2ccccc2)CC1)C(=O)Nc1cccc(Cl)c1Cl 2324373329 FOIJBIICRGQSBH-UHFFFAOYSA-N 491.422 5.747 50 10 JKGE N#CC(=CNCCc1ccccc1Br)C(=O)Nc1ccccc1Sc1ccccc1 2325339654 APCQGRMMHIMAHB-UHFFFAOYSA-N 478.415 5.779 50 10 JKGE N#CC(=Cc1ccc(Br)cc1)C(=O)NC[C@H](c1c(F)cccc1Cl)N1CCCC1 2329659810 HGGXBIAERCCQFT-HXUWFJFHSA-N 476.777 5.102 50 10 JKGE CCc1ccc(-c2csc(C(C#N)=C(O)c3ccc4c(c3)C(=O)N([C@H](C)CC)C4=O)n2)cc1 2331245388 FWXFPMVQTLNCDY-OAHLLOKOSA-N 457.555 5.717 50 10 JKGE COC(=O)c1ccc(C=CC(O)=C(C#N)c2nc(-c3ccc(OC)c(OC)c3OC)cs2)cc1 2331412748 DCMCJDCVJZBTCE-UHFFFAOYSA-N 478.526 5.129 50 10 JKGE Brc1cc(Br)cc(C[C@H](Br)[C@H]2CC[C@@H]3C[C@H]2CO3)c1 2335066515 LOEKTMMKDQRQTK-PUPMMZHASA-N 453.012 5.333 50 10 JKGE Brc1cc(OCc2ccccc2)ccc1[C@H](Br)[C@@H]1OC[C@@H]2CCCC[C@@H]21 2336044653 PSNUQTXPEXKEEB-KCOOCBJMSA-N 480.240 6.669 50 10 JKGE CC[C@@H]1CC[C@@H]([C@H](Br)c2c(C)cc(Br)c(F)c2Br)O1 2339686330 YHLVIHNYKKBTML-QRTLGDNMSA-N 458.991 6.053 50 10 JKGE ClCc1cc(OCc2cc(I)ccc2Cl)ccc1Br 2352425620 IZLJJIFBDBSKSN-UHFFFAOYSA-N 471.947 6.025 50 10 JKGE CC1(C)CCC[C@H]([C@H](Br)c2c(Cl)cc(Br)c(F)c2Br)C1 2362234782 ISYFAFQAOMXEFO-UFBFGSQYSA-N 491.464 7.657 50 10 JKGE Cc1cc(Br)c(C)c([C@H](Br)[C@@H]2COC3(C)CC2C3)c1Br 2362924195 RNAFOLGWRFTZIR-LPDHVUOKSA-N 467.039 6.080 50 10 JKGE Cc1cc(Br)c(F)c(Br)c1[C@H](Br)c1cc2c(s1)CCC2 2365185047 HDIPSBRIFUPFBB-CYBMUJFWSA-N 483.038 6.694 50 10 JKGE Fc1cc(Br)c([C@@H](Cl)c2ccc(Cl)cc2I)c(F)c1F 2365597753 KBCVPOBFPHTEPM-NSHDSACASA-N 495.891 6.453 50 10 JKGE O=C(N[C@@H](CBr)CC1CCCC1)c1ccc(Cl)cc1I 2365598467 QSLHAXJYIKYKLD-GFCCVEGCSA-N 470.576 5.018 50 10 JKGE COCc1ccc(CO[C@@H](CI)c2ccccc2Br)s1 2368075285 OXZRSZVIQMGBHE-HNNXBMFYSA-N 467.166 5.350 50 10 JKGE COC(C)(C)C1(CO[C@H](CI)c2ccc(Br)cc2)CC1 2369666697 BZAIFIMAHLGGSJ-CQSZACIVSA-N 453.158 5.147 50 10 JKGE ClC[C@@H]1C[C@H]2CCCC[C@@H]2N1Cc1ccc(I)c(Br)c1 2377352914 DSJTVUIYQXYRKW-WWGRRREGSA-N 468.604 5.426 50 10 JKGE BrCc1cc(Br)cc(Br)c1O[C@@H]1CCC[C@@H]2CCO[C@@H]21 2380213463 MFSCVDIWYXCOBH-PKPZWWHKSA-N 469.011 5.443 50 10 JKGE Cc1cc(Br)c(C(C)C)cc1[C@H](Br)c1nn(C)cc1Br 2380948220 ZOCYJLWEZCGWLN-AWEZNQCLSA-N 465.027 5.861 50 10 JKGE N#C/C(C(=O)Nc1ccccc1Cl)=C1\S[C@H](Cc2ccc(F)cc2)C(=O)N1c1ccccc1 2318353 URJGSHVAOBKKAK-UDXHRHDRSA-N 477.948 5.544 50 10 JKGE CCSc1ccsc1[C@H]1C(C#N)=C(N)N(c2ccc(C)c(Cl)c2)C2=C1C(=O)CCC2 9982096 QQMWFIHSEIGEBU-FQEVSTJZSA-N 456.036 6.127 50 10 JKGE CC(C)(C)c1ccc(C(=O)NNC(=O)c2ccc(-c3ccccc3)cc2)cc1Br 12492659 SZMVHJKRBSDSEO-UHFFFAOYSA-N 451.364 5.488 50 10 JKGE CCCCOc1ccc(C(=O)NNC(=O)COc2ccc(-c3ccccc3)cc2)cc1Br 14041294 HAIVSTMLALOVJW-UHFFFAOYSA-N 497.389 5.135 50 10 JKGE COc1ccc([C@H]2C(C#N)=C(n3cccc3)OC3=C2/C(=N\OCc2ccc(F)cc2)CCC3)cc1 33372275 TXMBKANUAASHAB-PSBUZCNKSA-N 469.516 6.153 50 10 JKGE COc1ccc2nc(/C(C#N)=C/c3ccc(OCc4ccc(Br)cc4)cc3)[nH]c2c1 33475989 XZMUOSDWTGAZTL-LDADJPATSA-N 460.331 5.977 50 10 JKGE N#C/C(=C/c1ccc(-n2nc(-c3ccccc3)cc2-c2ccccc2)cc1)c1nc2ccccc2[nH]1 33568609 CHIOHIPGXPBSDV-PLRJNAJWSA-N 463.544 7.147 50 10 JKGE C=CCc1ccc(OCCOc2ccc(/C=C(/C#N)C(=O)Nc3ccc(C)cc3)cc2)c(OC)c1 33697898 WAOJNXKOCIGWLL-MOHJPFBDSA-N 468.553 5.736 50 10 JKGE CCOc1ccc(/C=C(/C#N)C(=O)Nc2sc(C)c(-c3ccccc3)c2C(=O)OC)cc1OC 35062290 WCMSTSQQTQIEED-UYRXBGFRSA-N 476.554 5.463 50 10 JKGE CCCCCCN1C(=O)C(C#N)=C(C)/C(=C\c2ccc(-c3ccc(Cl)cc3Cl)o2)C1=O 38604120 MRFMFKIWOBISFM-CPNJWEJPSA-N 457.357 6.426 50 10 JKGE CC(C)(C)c1ccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4cccc([N+](=O)[O-])c4)ccc32)cc1 38649900 BLJWZCBFXCSTID-XMMPIXPASA-N 469.497 5.330 50 10 JKGE N#CC1=C(N)Oc2cc(OC(=O)c3ccccc3F)ccc2[C@@H]1c1ccc(OCc2ccccc2)cc1 38650938 QMMYTTWZXCOBLE-NDEPHWFRSA-N 492.506 5.842 50 10 JKGE Cc1cc(C)cc(OCC(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@H]3c2cccc(Cl)c2)c1 38651228 BYKYMJJIRSDKIP-VWLOTQADSA-N 460.917 5.159 50 10 JKGE CCOc1cccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4ccc(C(C)(C)C)cc4)ccc32)c1 38684835 JZRDOSIQTQQOLO-AREMUKBSSA-N 468.553 5.820 50 10 JKGE N#CC1=C(N)Oc2cc(OC(=O)Cc3ccccc3)ccc2[C@H]1c1cccc(OCc2ccccc2)c1 38686589 UNOMXJNXGKUQOJ-SSEXGKCCSA-N 488.543 5.632 50 10 JKGE CCOc1cccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4oc5ccc(F)cc5c4C)ccc32)c1 38701221 ZLIZGAVADOMVKF-RUZDIDTESA-N 484.483 5.716 50 10 JKGE CCOc1cccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4ccc(OC)c(Cl)c4)ccc32)c1 38701238 IIEBTYGLGDCMPU-DEOSSOPVSA-N 476.916 5.185 50 10 JKGE CCN(C(=O)c1oc2c(c1C)/C(=N/NC(=O)c1ccc(Cl)cc1Cl)CCC2)c1ccccc1 40813740 ATALZLOWNJLRQN-VFCFBJKWSA-N 484.383 6.032 50 10 JKGE CC(C)(C)c1ccccc1OCC(=O)N/N=C/c1cc(Br)ccc1OCc1ccccc1 40912340 OAYGAIHAGZBDMV-LQKURTRISA-N 495.417 5.855 50 10 JKGE CCOc1ccc2ccccc2c1/C=N/NC(=O)CCCOc1ccc(CC)cc1Br 40959450 HIDDFPZQPRIGSI-WPWMEQJKSA-N 483.406 5.873 50 10 JKGE CCOc1c(Br)cc(/C=N/NC(=O)[C@@H](C)Oc2ccc(C(C)(C)C)cc2)cc1OC 40961563 LUSBFAFXNCXVKG-PVLQNKMRSA-N 477.399 5.072 50 10 JKGE CC(C)(C)c1ccc(C(=O)N/N=C/c2ccc(OC(=O)c3ccc(Br)cc3)cc2)cc1 48573442 YLUIZHCYOWMVNV-JVWAILMASA-N 479.374 5.730 50 10 JKGE CC(C)c1ccc(/C=N/NC(=O)c2ccc3c(c2)CN(c2ccc(Br)cc2)C3)cc1 58871967 PMGNPFMWXBDCSU-MZJWZYIUSA-N 462.391 5.857 50 10 JKGE Cc1ccc(Cl)cc1-n1c(C)cc(/C=N/NC(=O)c2cc3cc(Br)ccc3o2)c1C 59304599 UYNIJEZGZOATFC-RPPGKUMJSA-N 484.781 6.329 50 10 JKGE O=C(N/N=C/c1ccc(OCc2cccc3ccccc23)cc1)c1cc(Br)ccc1O 59447364 MLVHENWOCRTQIM-JFLMPSFJSA-N 475.342 5.651 50 10 JKGE CCS/C(NC(=O)c1ccccc1)=C(/C#N)[C@H](CC(=O)c1ccccc1)c1ccccc1Cl 100250926 HQCYGORNQDHOBW-SZWCJKGDSA-N 475.013 6.615 50 10 JKGE CCCCCCCOc1ccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)Cc4ccccc4)ccc32)cc1 101378144 OAUXETCTUSXXLD-PMERELPUSA-N 496.607 6.402 50 10 JKGE CCOc1ccc([C@H](Br)c2ccc(I)cc2)cc1OCC 109852255 BVQBPZVIFIZWRA-QGZVFWFLSA-N 461.137 5.573 50 10 JKGE Clc1ccc([C@H](Br)c2cc(Br)sc2Br)cc1Cl 109870244 FCYCQHDGWNATIZ-JTQLQIEISA-N 479.846 7.064 50 10 JKGE C[C@]12CC[C@H]3[C@@H](CC=C4C[C@@H](OC(=O)/C=C/c5ccccc5)CC[C@@]43C)[C@@H]1CC/C2=N/NC(N)=O 118919594 NMEUWUBEWUDIDC-VPMZLFMYSA-N 475.633 5.599 50 10 JKGE Cc1cc(Br)c([C@@H](Br)Cc2cccc(F)c2F)cc1Br 128758216 FYIWOPNUFCRTJI-ZDUSSCGKSA-N 468.961 6.477 50 10 JKGE CC(C)Cc1ccc([C@@H](Br)c2cc(Br)c(Br)s2)cc1 128857930 DWBDNBIPXVSPIV-CQSZACIVSA-N 467.064 6.956 50 10 JKGE COc1ccc([C@@H](Br)c2cc(Br)ccc2Br)cc1Cl 161077698 NXEWYYDLJFJDFB-CQSZACIVSA-N 469.398 6.358 50 10 JKGE COc1c(Cl)cc(/C=N\NC(=O)c2ccc3[nH]c(Cc4ccccc4)nc3c2)cc1Cl 169925772 SNWANTZOBKAAGU-ZMFRSBBQSA-N 453.329 5.233 50 10 JKGE CN(C)C(=O)c1ccc(NC(=O)/C(C#N)=C\c2ccc(-c3cccc(Cl)c3Cl)o2)cc1 209982242 XZSQDIPXTOGSHI-QINSGFPZSA-N 454.313 5.501 50 10 JKGE CC[C@H](C)N1C(=O)C(C#N)=C(C)/C(=C/c2cn(-c3ccccc3)nc2-c2ccc(F)cc2)C1=O 214255467 ZMLTUQNGJYUOGD-PGECNJAHSA-N 454.505 5.069 50 10 JKGE Clc1sc([C@@H](Br)c2ccc(I)cc2)cc1Br 227849477 YNXJYXWGEDJCGA-JTQLQIEISA-N 492.401 6.253 50 10 JKGE CN1C(=O)Cc2cc([C@@H](Br)c3cc(Br)sc3Br)ccc21 234333782 VDMZVSYIUMWQEO-CYBMUJFWSA-N 480.019 5.276 50 10 JKGE COc1cc(F)c(Br)cc1[C@@H](Br)c1ccc(Br)c(Cl)c1 234863955 KNBBTBOZGYYUOR-AWEZNQCLSA-N 487.388 6.497 50 10 JKGE Fc1ccc(Br)cc1COc1c(Br)cc(CCl)cc1Br 236139445 USESEGIBDATRQK-UHFFFAOYSA-N 487.388 6.431 50 10 JKGE CCCC(=NNC(=O)CSc1nnc(-c2ccccc2)n1-c1ccccc1)c1ccccc1 254306195 GEKAELFZPSALMZ-UHFFFAOYSA-N 455.587 5.347 50 10 JKGE C=CCOc1ccc(C(=O)NN=Cc2c(OC(=O)c3ccc(OC)cc3)ccc3ccccc23)cc1 254569630 VBWYBPPREUNTLW-UHFFFAOYSA-N 480.520 5.396 50 10 JKGE CC(C)(C)c1cc(CCC(=O)NN=Cc2ccccc2OCc2ccccc2)cc(C(C)(C)C)c1O 254623968 MUMYQVVGJGUMLY-UHFFFAOYSA-N 486.656 6.649 50 10 JKGE CCCCCCCCCC(=O)NN=Cc1c(OC(=O)c2ccc(C)cc2)ccc2ccccc12 254697072 JZKNDSVXHQRXPF-UHFFFAOYSA-N 458.602 6.958 50 10 JKGE CC(=NNC(=O)CSc1nnc(-c2ccc(C(C)(C)C)cc2)n1-c1ccc(C)cc1)c1ccco1 263632681 CDVKYMHLJVZNOU-UHFFFAOYSA-N 487.629 5.766 50 10 JKGE CCOc1ccc([C@@H](Br)c2ccccc2OCc2ccccc2)cc1Br 388413675 JXGXXSIMINPOOV-JOCHJYFZSA-N 476.208 6.911 50 10 JKGE C[C@@H](COCc1ccccc1)n1c(CCCl)nc2cc(I)ccc21 390677028 YCBSESBLBADUIA-AWEZNQCLSA-N 454.739 5.200 50 10 JKGE CC(C)(CBr)CCCNC(=O)c1cc(Br)sc1Br 393434628 DOTLPDLYLGWQRX-UHFFFAOYSA-N 462.045 5.204 50 10 JKGE CC(C)(C)[Si](C)(C)OCCc1ccccc1[C@@H]1CNc2ccccc2N1Cc1ccccc1 616587146 ZZEIIGFDAGGWLE-NDEPHWFRSA-N 458.722 7.424 50 10 JKGE Fc1ccc([C@@H](Cl)c2cc(I)ccc2Br)c(F)c1Cl 689690720 NKLHOANGRVXQIE-LLVKDONJSA-N 477.901 6.314 50 10 JKGE Cn1ncc(Br)c1[C@H](Br)c1cc(Br)ccc1Br 693045759 ANYZJQUBCXKDIA-SNVBAGLBSA-N 487.815 5.192 50 10 JKGE Fc1ccc2nc(CCCl)n(CC3(N(Cc4ccccc4)Cc4ccccc4)COC3)c2c1 705783648 QMHARBCUBGFATM-UHFFFAOYSA-N 463.984 5.428 50 10 JKGE Cc1cccc2c1nc([C@H](C)Cl)n2CC1(N(Cc2ccccc2)Cc2ccccc2)COC1 706571338 CETRPGDQONKVMB-QFIPXVFZSA-N 460.021 6.116 50 10 JKGE Fc1cccc([C@H](Cl)c2cc(Cl)c(Br)s2)c1I 721670962 AXYJSNSTVNAIBU-VIFPVBQESA-N 465.940 6.236 50 10 JKGE COc1cccc(C=NNC(=O)c2ccc(C(C)(C)C)cc2)c1OCc1ccc(Br)cc1 725274307 QYAIJJBLTIFKSI-UHFFFAOYSA-N 495.417 6.098 50 10 JKGE C=C1CC[C@@H](O[Si](C)(C)C(C)(C)C)C/C1=C\C=C1/CCC[C@]2(C)[C@@H]1CC[C@H]2[C@@H](C)CCCC(C)C 936069220 DWIUSINKAVTSCC-MIEGZUKJSA-N 498.912 10.649 50 10 JKGE COc1cc(/C=C(/C#N)C(=O)NCc2cccs2)ccc1OCc1ccc(Br)cc1 1084156227 NMJZITWPCCTEGY-WQRHYEAKSA-N 483.387 5.322 50 10 JKGE N#C/C(=C/c1ccc(-c2ccc(Cl)c(C(F)(F)F)c2)o1)c1nn(-c2ccccc2)c(N)c1C#N 1084324295 MPAMORNNIPBPRC-GDNBJRDFSA-N 479.849 6.323 50 10 JKGE Cc1ccc(NC(=O)/C(C#N)=C\c2cc(Cl)ccc2OCc2ccc(Cl)cc2Cl)c(C)c1 1084330821 HOUNQESFPQHULX-GRSHGNNSSA-N 485.798 7.388 50 10 JKGE Cc1ccc(NC(=O)c2oc3c(c2C)C(=NNC(=O)c2ccccc2Br)CCC3)cc1C 1772743682 GDRCGSDBMSUCIM-UHFFFAOYSA-N 494.389 5.690 50 10 JKGE CCOC(=O)c1c(-c2ccc(C)c(C)c2)csc1NC(=O)C(=O)Nc1ccc(SC#N)cc1 1860746220 ZPKIWOJGZSHSKO-UHFFFAOYSA-N 479.583 5.359 50 10 JKGE COc1ccc2ccccc2c1[C@@H]1C(C#N)=C(N)Oc2c1c(C(F)(F)F)nn2-c1cccc(Cl)c1 1865688234 NNNILJWPFPLHIZ-FQEVSTJZSA-N 496.876 5.924 50 10 JKGE N#CC1=C(N)Oc2c(c(-c3ccccc3)nn2Cc2ccccc2F)[C@H]1c1cc(Cl)ccc1O 1865689335 QACOTDRPKCIBAK-QFIPXVFZSA-N 472.907 5.315 50 10 JKGE CC[C@H](C(=O)N[C@H](Cc1ccc(O)cc1)C(=O)Nc1ccc(SC#N)cc1)c1ccc(Cl)cc1 1866951067 QVOCUHRRQNPAIP-BJKOFHAPSA-N 494.016 5.479 50 10 JKGE CC(C)c1nc(Nc2ccc(SC#N)cc2)cc(N2C[C@@H](C)O[C@H](c3ccc(F)cc3)C2)n1 1868231364 DXHCXVADSYYHIA-VGSWGCGISA-N 463.582 6.022 50 10 JKGE CCc1ccc(-c2csc(/C(C#N)=C(\O)[C@H]3CC(=O)N(c4cc(Cl)ccc4OC)C3)n2)cc1 1872744305 LZPBZLJAJMQBCZ-AOVJEQHFSA-N 479.989 5.880 50 10 JKGE Cc1cc(OC/C(O)=C(\C#N)c2nc(-c3ccc(Cl)c(Cl)c3)cs2)ccc1Cl 1872748574 CYJHOMQTVJFHKK-RGEXLXHISA-N 451.762 6.950 50 10 JKGE N#C/C(=C(/O)Cc1ccc(OCc2ccccc2)cc1)c1nc(-c2ccc(Cl)s2)cs1 1872757585 MTWFYHUJWKNLMK-VZCXRCSSSA-N 464.999 7.139 50 10 JKGE COc1ccc(-c2csc(/C(C#N)=C/c3ccc(OC(=O)c4ccccc4)cc3)n2)cc1C 1872780487 ANLPXILHRDCDFN-PXLXIMEGSA-N 452.535 6.411 50 10 JKGE CCCOc1ccc(-c2csc(/C(C#N)=C/c3ccccc3OC(C)C)n2)cc1OCCC 1872790149 NSOXAFSMJXWJIO-PXLXIMEGSA-N 462.615 7.239 50 10 JKGE FC1(F)C[C@@H]1CCCOc1c(Br)cc(Br)cc1CBr 1885568322 STOCXGMASUOGHJ-VIFPVBQESA-N 462.954 5.921 50 10 JKGE C[C@@H](c1cccs1)N(Cc1ccccc1)S(=O)(=O)c1cc(CCl)sc1Br 1914878127 GVKNVOGXBDOFED-ZDUSSCGKSA-N 490.897 6.263 50 10 JKGE C[C@H](CCCl)N(Cc1ccccc1)S(=O)(=O)c1c(Cl)cc(Br)cc1Cl 1915070413 WTFYULYHGQSDTA-GFCCVEGCSA-N 485.658 5.964 50 10 JKGE Clc1ccc(C[C@@H](Br)c2sc(Br)cc2Br)cc1Cl 1922945342 FLRXDFIEESUCJZ-SSDOTTSWSA-N 493.873 7.259 50 10 JKGE CC[C@]1([C@H](Br)c2c(Br)sc(Br)c2Cl)CC1(F)F 1923075095 WREPFHLGZOMPLA-HZGVNTEJSA-N 473.402 6.798 50 10 JKGE Cl[C@H](C[C@H]1CCOC1)c1c(Br)sc(Br)c1Br 1924605821 XNSKMTBHRSZVCS-PHDIDXHHSA-N 453.421 5.742 50 10 JKGE COC1(C[C@@H](Br)c2c(Br)sc(Br)c2Br)CC1 1924615408 AKMSRFUUSIPNPJ-RXMQYKEDSA-N 497.872 6.041 50 10 JKGE CC1(C)COc2c([C@H](Br)c3csnc3Br)cc(Br)cc21 1925265374 WPIOBUOQWPLDGS-NSHDSACASA-N 482.035 5.822 50 10 JKGE Clc1sc(Br)c(Cl)c1[C@@H](Br)Cc1cccc(Br)c1 1925590475 YEGKOTRLVOJGLM-QMMMGPOBSA-N 493.873 7.259 50 10 JKGE Brc1ccc([C@H](Br)c2c(Br)cccc2Br)s1 1937829257 USXXCDBQXBCWQG-NSHDSACASA-N 489.852 6.520 50 10 JKGE C[C@H]1C[C@H](C)CC[C@@H]1O[C@]1(CI)CCCN(C(=O)OC(C)(C)C)C1 1947111273 BUFFGCRNHBJMLF-DRMAHVMPSA-N 451.389 5.032 50 10 JKGE O=C(O)CCC[C@@H](CCCC[C@@H]1CCSS1)NC(=O)OCC1c2ccccc2-c2ccccc21 1951547054 XPFRLSKSVQLAQC-WOJBJXKFSA-N 499.698 6.863 50 10 JKGE Cc1sc(Br)c([C@@H](Br)c2ccc(I)cc2)c1C 2024022238 FUICEINJUFEUOY-LBPRGKRZSA-N 486.010 6.216 50 10 JKGE Cc1cc([C@@H](Br)c2cc(Br)sc2C)ccc1I 2026133705 VZKABWXGFUULCV-CYBMUJFWSA-N 486.010 6.216 50 10 JKGE Cc1cc([C@H](Br)c2csc(Br)c2Br)c(C)cc1Cl 2032958874 OEPIZHMSANTMDG-NSHDSACASA-N 473.455 7.028 50 10 JKGE N#CC(=Cc1cc2ccccc2nc1Cl)c1nc(O)c2cc(I)ccc2n1 2042453449 JYFQSLPZGMTTDZ-UHFFFAOYSA-N 484.684 5.206 50 10 JKGE Cc1cc(C=C(C#N)C(=O)c2cc(C)n(C3CCCC3)c2C)c(C)n1-c1ccc(Br)cc1 2053623091 DPVXUMQTBIRQKO-UHFFFAOYSA-N 490.445 7.180 50 10 JKGE Cc1c(Br)sc([C@@H](Br)C23CCC(CC2)OC3)c1Br 2072708517 QZWBSNWUOSMXSH-UHLWVNKISA-N 459.041 5.977 50 10 JKGE C[C@@H](Br)[C@H](NCc1cc(Br)ccc1Br)C(F)(F)F 2074731150 JUYZZGXPVNVAOT-LDWIPMOCSA-N 453.922 5.016 50 10 JKGE Fc1cc(Br)c([C@H](Br)c2ccc(Br)s2)c(F)c1Cl 2081844775 PJBIOAADXYCQDW-SECBINFHSA-N 481.381 6.689 50 10 JKGE C[C@]12CN(Cc3ccccc3)C[C@H]1CN(c1c(CBr)ccc(Br)c1Cl)C2 2098116482 IYTMADJIPIPEDU-LAUBAEHRSA-N 498.690 5.956 50 10 JKGE Cc1csc([C@H](Br)c2cc(Br)c3c(c2)CCO3)c1Br 2100809375 RTHKRCRPIVDXRL-GFCCVEGCSA-N 467.020 6.001 50 10 JKGE FC1(COc2c(Br)cc(Br)cc2CBr)CCCCC1 2109631310 DWRWPMCOQSLXME-UHFFFAOYSA-N 458.991 6.158 50 10 JKGE COc1cc(Br)c(OC[C@H](CBr)CC2CC2)cc1Br 2112871909 SYCFDMTXAQTWEU-JTQLQIEISA-N 457.000 5.410 50 10 JKGE Cc1cc(Br)c([C@H](Cl)c2c(Cl)cccc2Br)cc1Br 2113159257 PZOKJEYJRFBWMH-AWEZNQCLSA-N 487.844 7.264 50 10 JKGE BrCC1C[C@@H]2CC[C@H](C1)N2Cc1cc(Br)ccc1Br 2118522854 SOAGXRDIXXICNZ-FTNCPSPGSA-N 452.028 5.350 50 10 JKGE C[C@@H]1OCC[C@H]1CC(CBr)(CBr)c1cccc(Br)c1 2121121465 BIVRLUCQMRZFNL-RYUDHWBXSA-N 455.028 5.292 50 10 JKGE C[C@@H](c1cccs1)N(Cc1ccccc1)S(=O)(=O)c1cccc(CBr)c1 2123236034 DWEWFYRWDJNGHC-INIZCTEOSA-N 450.423 5.595 50 10 JKGE Cc1nc([C@@H](Cl)c2c(Br)cc(F)c(Cl)c2F)c(Br)s1 2136958891 NLCPCLNGPJHRHI-QMMMGPOBSA-N 451.945 6.236 50 10 JKGE Cc1c(Br)ccc([C@H](Br)[C@@H]2CCC[C@H]2C(C)C)c1Br 2138851269 JVDIUFCNCCYTOL-HWWQOWPSSA-N 453.056 7.028 50 10 JKGE C[C@]1([C@H](Br)c2ccc(Br)cc2Br)CCCCC1(F)F 2138873643 QMRBIQWXHSCKRG-CHWSQXEVSA-N 460.982 6.863 50 10 JKGE O=C(NC[C@@H]1CCC[C@H](CBr)C1)c1cccc(Br)c1Br 2148772521 YSXPKUIYZYHKMJ-WDEREUQCSA-N 468.027 5.143 50 10 JKGE Fc1c(C[C@H](CBr)c2ccccc2Br)ccc(Cl)c1Br 2166823530 ODLWJNZTZLCDTC-SNVBAGLBSA-N 485.416 6.725 50 10 JKGE Cc1cc(S(=O)(=O)N(CCC(F)(F)F)Cc2ccccc2)cc(CBr)c1F 2179862447 WOJNALAUPORKEJ-UHFFFAOYSA-N 468.310 5.172 50 10 JKGE COc1cc(C)c([C@@H](Cl)Cc2ccccc2I)cc1Br 2198735866 XSZJRMRCAWEOHY-AWEZNQCLSA-N 465.556 5.893 50 10 JKGE Cl[C@H](c1ccc2c(c1)CCCC2)c1ccc(Br)cc1I 2207274144 ZAANLLMSBCEVDT-QGZVFWFLSA-N 461.568 6.261 50 10 JKGE CC1(C)[C@@H]([C@H](Br)c2cc(Br)c(Br)cc2F)C1(F)F 2218604413 VUBBOMSQTCWJIB-NXEZZACHSA-N 450.918 6.078 50 10 JKGE COc1ccc([C@H](Br)c2cc(Br)c(C)s2)c(Br)c1 2218971024 VQLLLINWGJWZJM-ZDUSSCGKSA-N 455.009 6.074 50 10 JKGE Fc1ccc([C@H](Cl)c2ccc(I)c(Br)c2)c(F)c1F 2225926336 QRIQTMJZKVOACS-LLVKDONJSA-N 461.446 5.799 50 10 JKGE Cc1cc(Br)c([C@@H](Br)C[C@H]2C[C@H]3C[C@H]3C2)c(C)c1Br 2227350655 XXJBLUYVVACLGI-FMSGJZPZSA-N 451.040 6.701 50 10 JKGE Cc1cc(Br)c([C@H](Br)[C@@H]2C[C@H]3C[C@H]2[C@@H]2C[C@@H]32)c(C)c1Br 2235605638 KTPCRQKSXQMDJV-ICTFGXNNSA-N 463.051 6.557 50 10 JKGE Cc1cc(Cl)c([C@H](Br)Cc2ccc(Br)cc2Cl)cc1Cl 2237459218 YDFDYSKZSMSTQJ-GFCCVEGCSA-N 457.420 7.396 50 10 JKGE COc1cc(Cl)c([C@H](Br)c2sc(C)c(C)c2Br)cc1Cl 2237630344 UNWRYOMNWFMJMY-ZDUSSCGKSA-N 459.030 6.927 50 10 JKGE Clc1sc(Cl)c([C@@H](Br)c2scc(Br)c2Cl)c1Cl 2246464723 FSGNYGHLDPVSOA-SCSAIBSYSA-N 475.869 7.670 50 10 JKGE Clc1cc([C@@H](Br)Cc2cc(Br)cc(Br)c2)sc1Cl 2263510716 PAMFOOSNQMMEEA-VIFPVBQESA-N 493.873 7.259 50 10 JKGE Cc1cc(Br)c([C@@H](Br)c2ccccc2Br)c(C)c1F 2264487791 MYBFHSXMHKBPEX-AWEZNQCLSA-N 450.971 6.452 50 10 JKGE COc1ccc([C@H](Br)Cc2ccc(Cl)cc2)cc1I 2269538592 BICAICOCVSREMZ-CYBMUJFWSA-N 451.529 5.632 50 10 JKGE CO[C@@H]1CC[C@@H]1C[C@H](Br)c1c(F)cc(Br)c(F)c1Br 2272730058 UFWOWKNQASVAAW-MATHAZKKSA-N 462.954 5.741 50 10 JKGE C[C@H](C[C@H](Br)c1c(F)cc(Br)c(F)c1Br)C(F)(F)F 2272738935 JCLBFNPARXDEIA-UHNVWZDZSA-N 474.887 6.514 50 10 JKGE COc1cc(Cl)c(Cl)cc1[C@H](Cl)c1cc(Br)ccc1Br 2279045791 FCOZRLWZWASYEA-CQSZACIVSA-N 459.392 6.855 50 10 JKGE COc1cc(Cl)c(Cl)cc1[C@@H](Br)c1ccc(Cl)c(Br)c1 2279057008 UOIUFGIELQVOPY-AWEZNQCLSA-N 459.392 6.902 50 10 JKGE CC(C)(C)OC(=O)N[C@H]1CCN(Cc2ccc(CBr)cc2)[C@@H](C(F)(F)F)C1 2281005009 RZDHNBVJSHXBSB-JKSUJKDBSA-N 451.327 5.002 50 10 JKGE N#CC(=Cc1ccc(OCC(=O)Nc2ccccc2)c(Br)c1)c1ccc(F)cc1 2294277042 LPBDBKDEOWLPKB-UHFFFAOYSA-N 451.295 5.670 50 10 JKGE Fc1cc(Cl)c([C@@H](Cl)c2cc3sc(Br)cc3s2)cc1Br 2295495913 SRQUILAMZPNLHY-CYBMUJFWSA-N 475.029 7.609 50 10 JKGE Cc1ccccc1NC(=O)C(C#N)=C1S[C@@H](Cc2cccc(Cl)c2)C(=O)N1c1ccccc1C 2296506703 BBCLRZTYCJIXLY-DEOSSOPVSA-N 488.012 6.022 50 10 JKGE C=CCNC(=O)C(C#N)=Cc1cn(-c2ccccc2)nc1-c1ccc(OCc2ccc(Cl)cc2)cc1 2296706010 LFALJLFNEZSGGX-UHFFFAOYSA-N 494.982 5.981 50 10 JKGE CCCCOc1ccc(-c2nn(-c3ccccc3)cc2C=C(C#N)C(=O)NCc2ccco2)c(C)c1 2296707810 NCDMZIAQVAATAS-UHFFFAOYSA-N 480.568 5.843 50 10 JKGE CCOc1ccc(-c2nn(-c3ccccc3)cc2C=C(C#N)S(=O)(=O)c2ccccc2)cc1C 2296730166 BWJATXWCHCKBCQ-UHFFFAOYSA-N 469.566 5.585 50 10 JKGE N#CC(=CNc1ccccc1F)c1nc(-c2cc3cc(Br)ccc3oc2=O)cs1 2296758196 BNASFSBRCTXQQQ-UHFFFAOYSA-N 468.307 5.795 50 10 JKGE N#CC(=Cc1ccc(-c2ccc(SC(F)F)cc2)o1)C(=O)NN=Cc1ccccc1Cl 2296818160 SDYDWDFINGVSEC-UHFFFAOYSA-N 457.889 5.972 50 10 JKGE N#CC(=Cc1ccc([N+](=O)[O-])cc1)C(=O)Nc1ncc(Cc2cc(Cl)ccc2Cl)s1 2296832253 CYXCPUHBMZPGOY-UHFFFAOYSA-N 459.314 5.495 50 10 JKGE Cc1sc(Br)c([C@@H](Cl)c2sc(Cl)cc2I)c1C 2301088739 LHVCZRKFIUBPQR-SECBINFHSA-N 482.033 6.775 50 10 JKGE Cc1ccc(NC(=O)C(C#N)=Cc2ccc(OCc3ccc(Cl)c(Cl)c3)cc2)cc1C 2313510867 APKOCGHYIFKIGN-UHFFFAOYSA-N 451.353 6.735 50 10 JKGE FC1(F)CC[C@@H]2[C@@H]([C@@H](Br)c3ccc(OCc4ccccc4)cc3Br)[C@@H]21 2314439264 GJIIBBCRNDFAGT-OWYHZJEWSA-N 472.167 6.755 50 10 JKGE Fc1ccc([C@@H](Br)c2ccc(OCc3ccccc3)cc2Br)c(F)c1 2314450505 ZYVFKPWWWVTPJE-FQEVSTJZSA-N 468.135 6.791 50 10 JKGE Cl[C@H](Cc1ccccc1Br)c1cc(Br)ccc1OCc1ccccc1 2314453450 WVAKLJAUWVOUBW-HXUWFJFHSA-N 480.627 7.313 50 10 JKGE CCSc1ccc(-c2nn(-c3ccccc3)cc2C=C(C#N)C(=O)Nc2ccc(C)cc2)cc1 2314478464 MREDTQCHHUIANZ-UHFFFAOYSA-N 464.594 6.505 50 10 JKGE Cc1c(Cl)sc(Cl)c1[C@H](Br)c1ccc(Cl)c(I)c1 2314511725 VBUAHMGTQZTGDT-SNVBAGLBSA-N 496.422 7.106 50 10 JKGE C=CCN1C(=O)C(=Cc2cn(-c3ccccc3)nc2-c2ccc(Br)cc2)C(C)=C(C#N)C1=O 2314616787 JTWHETCYXGQGKP-UHFFFAOYSA-N 499.368 5.080 50 10 JKGE Cc1ccc(C=CC(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@H]3c2ccccc2Br)cc1 2314634462 VFMRPPXLKYUNRM-VWLOTQADSA-N 487.353 5.595 50 10 JKGE CC1([C@H](Br)c2c(Cl)cc(Br)c(F)c2Br)CC(F)C1 2315441998 NZJDHQASTOZMAV-RVUVVNSJSA-N 467.373 6.578 50 10 JKGE COc1cc(C=C(C#N)c2ccccc2OC)ccc1OC(=O)C(c1ccccc1)c1ccccc1 2320506748 QQGIVIVFWKQYHW-UHFFFAOYSA-N 475.544 6.505 50 10 JKGE COc1ccc(C=CC(=O)Oc2cccc(C=C(C#N)c3ccc(OC)c(OC)c3)c2)cc1OC 2320511231 PTDROBXYJBWQNL-UHFFFAOYSA-N 471.509 5.404 50 10 JKGE COC(=O)c1ccc(C(C#N)=Cc2ccc(N3N=C(c4ccccc4)C[C@@H]3c3ccccc3)cc2)o1 2331048506 RKZLFSPOTIJMHO-HHHXNRCGSA-N 473.532 6.486 50 10 JKGE COc1ccccc1-c1csc(C(C#N)=C(O)CNC(=O)c2ccc(Cl)cc2Cl)n1 2331281734 LRPREDXLDSFWGZ-UHFFFAOYSA-N 460.342 5.348 50 10 JKGE COc1cc(C=CC(O)=C(C#N)c2nc(-c3ccc(F)cc3)cs2)cc(Br)c1OC 2331343722 NLFLCLCMYVAGHR-UHFFFAOYSA-N 487.350 6.235 50 10 JKGE CC(C)C[C@@H](C(O)=C(C#N)c1nc(-c2c[nH]c3ccccc23)cs1)N1C(=O)c2ccccc2C1=O 2331347138 YUOOJPKTJKNPDZ-QHCPKHFHSA-N 482.565 5.795 50 10 JKGE CCCCc1ccc(N2C[C@@H](C(O)=C(C#N)c3nc(-c4c(C)c(C)cc(C)c4C)cs3)CC2=O)cc1 2331364611 PZKXWKPULHBPKB-QHCPKHFHSA-N 499.680 7.232 50 10 JKGE CCOc1ccc(-c2csc(C(C#N)=C(O)[C@@H]3CC(=O)N(C(C)(C)C)C3)n2)c(OCC)c1 2331386479 DFQDPUALLNQOOE-OAHLLOKOSA-N 455.580 5.047 50 10 JKGE Cc1ccc(C(C)(C)C)cc1-c1csc(C(C#N)=C(O)CCc2nc3ccccc3[nH]c2=O)n1 2331397230 XVCIWRJTVFWVFY-UHFFFAOYSA-N 470.598 6.078 50 10 JKGE COc1cc(C=C(C#N)c2nc(-c3c[nH]c4ccccc34)cs2)ccc1OCc1ccccc1 2331460061 IUNLWFDRKYZRRY-UHFFFAOYSA-N 463.562 6.943 50 10 JKGE Cc1cc(Br)c(F)c(Br)c1[C@@H](Br)[C@H](C)CC(F)(F)F 2339676662 AELSAHQCFHVOND-MUWHJKNJSA-N 470.924 6.684 50 10 JKGE Clc1cc(Br)c([C@H](Br)[C@H]2CC[C@@H]3C[C@H]2CO3)c(Cl)c1Cl 2359122570 CAKBHQMVRFBAGA-FLNNQWSLSA-N 463.424 6.660 50 10 JKGE Fc1c(Br)cc(Cl)c([C@@H](Cl)C2CCC(F)(F)CC2)c1Br 2362224999 SQLAFCOXOUNVLR-NSHDSACASA-N 454.939 7.110 50 10 JKGE Clc1ccc(CN2[C@H](CBr)C[C@@H]3CCCC[C@@H]32)cc1I 2362369494 YDUKGAZTEFZJDW-XEZPLFJOSA-N 468.604 5.473 50 10 JKGE CC[C@](CBr)(Cc1ccc(Cl)c(I)c1)c1ccccc1 2362380910 USDGBEUHDZWDHO-QGZVFWFLSA-N 463.584 6.230 50 10 JKGE Cc1cc(Br)c(F)c(Br)c1[C@H](Br)C12CC(C)(C1)O[C@H]2C 2365224241 WERQBELNHHPMTI-MATQMUMRSA-N 471.002 6.053 50 10 JKGE CC(=O)C1=C(C)NC(SCC(=O)c2cccc(Br)c2)=C(C#N)[C@H]1c1sccc1C 1199125 LNPDPMXNSGAJTC-HXUWFJFHSA-N 487.444 5.720 50 10 JKGE Cc1cc(-c2nn(-c3ccccc3)cc2/C=C(/C#N)C(=O)NCc2ccco2)ccc1OCCC(C)C 1297262 VJUOVYATWRIWRI-ULJHMMPZSA-N 494.595 6.089 50 10 JKGE Cc1ccc(N2C(=O)[C@H](Cc3ccccc3C)S/C2=C(\C#N)C(=O)NCc2ccccc2)cc1 16739758 OHVDGDQYOOHHHF-CHTIKVTKSA-N 467.594 5.046 50 10 JKGE N#C/C(=C(/Nc1cccc(Cl)c1)SCc1ccccc1F)S(=O)(=O)c1ccccc1 20325631 VTHSVXCKHGOBFB-QURGRASLSA-N 458.967 5.991 50 10 JKGE CCc1ccc(O[C@H](C)C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@@H]3c2ccccc2Cl)cc1 38651086 MNOGKJHJQGDRNY-PUAOIOHZSA-N 474.944 5.493 50 10 JKGE COc1ccc(Br)cc1[C@@H]1C(C#N)=C(N)Oc2cc(OC(=O)c3cccc(C)c3)ccc21 38660668 JTBNQWIJLNHHGL-HSZRJFAPSA-N 491.341 5.204 50 10 JKGE Cc1ccc2oc(C(=O)Oc3ccc4c(c3)OC(N)=C(C#N)[C@H]4c3ccccc3Cl)c(C)c2c1 38687667 BIJRPKWDOJAOQJ-DEOSSOPVSA-N 470.912 6.140 50 10 JKGE Cc1cc2oc(C(=O)Oc3ccc4c(c3)OC(N)=C(C#N)[C@H]4c3cccc(Cl)c3)c(C)c2cc1C 38687699 ODOSQHRHOHQIEG-VWLOTQADSA-N 484.939 6.449 50 10 JKGE O=C(O)c1ccccc1Nc1cc(Cl)c(OCCSSc2ccccn2)c(Cl)c1 39127651 BBSXEFGSAMKLRO-UHFFFAOYSA-N 467.399 6.650 50 10 JKGE N#C/C(=C\c1ccc(-c2ccc(Cl)c(Cl)c2)o1)C(=O)Nc1sc2c(c1C(N)=O)CCCC2 39884979 CUFCZZIELNTPAG-UKTHLTGXSA-N 486.380 5.838 50 10 JKGE CCN(c1ncnc(NNC(=O)c2cccc3ccccc23)c1[N+](=O)[O-])c1cccc2ccccc12 40589286 MILJZAUGTBJDHJ-UHFFFAOYSA-N 478.512 5.606 50 10 JKGE Cc1ccc2cccc(OC(=O)c3oc4c(c3C)/C(=N/NC(=O)c3cccc(Cl)c3)CCC4)c2n1 40813366 BHFXFETZQKEFCJ-TWKHWXDSSA-N 487.943 5.788 50 10 JKGE CCc1ccccc1NC(=O)c1oc2c(c1C)/C(=N/NC(=O)c1cccc3ccccc13)CCC2 40813550 BGFAVRKYLUERPI-QFMPWRQOSA-N 465.553 6.026 50 10 JKGE Cc1ccc2c(CC(=O)N/N=C3\CCCc4oc(C(=O)Oc5ccccc5)c(C)c43)coc2c1C 40826761 SQXSTYMGIZQNSB-QUPMIFSKSA-N 470.525 5.570 50 10 JKGE CCCOc1ccc(/C=N\NC(=O)Nc2sc3c(c2C(=O)OCC)CC[C@H](C)C3)cc1OC 40851511 FMPTYHSJLXKYOW-XFRWHIHTSA-N 473.595 5.003 50 10 JKGE COc1cc(/C=N/NC(=O)[C@@H](C)Oc2ccc(-c3ccccc3)cc2)ccc1OCc1ccccc1C 40959694 VGEXUCBYZDACDA-SBUWOATQSA-N 494.591 6.167 50 10 JKGE COc1ccccc1/C=C(\C#N)C(=O)Nc1nc(-c2ccc(Br)cc2)c(C)s1 40977779 KELCKQYCZJLRMV-LFIBNONCSA-N 454.349 5.435 50 10 JKGE N#C/C(=C\c1cn(Cc2ccc(Cl)c(Cl)c2)c2ccccc12)C(=O)Nc1ccc(Cl)cc1 59116997 LBVBTDCXBMSINI-SFQUDFHCSA-N 480.782 7.195 50 10 JKGE COc1ccc(/C=N/NC(=O)c2ccc(-n3c(C)ccc3-c3ccccc3)cc2)cc1Cc1ccccc1 59304048 SGXVMPSVIQKHTG-PPFNPFNJSA-N 499.614 6.816 50 10 JKGE CCOc1cc(/C=N/NC(=O)c2cc3cc(Br)ccc3o2)c(Cl)cc1OC 59304343 NVNZHTBNYZTSFW-LSHDLFTRSA-N 451.704 5.020 50 10 JKGE COc1ccc2c(c1)C1=C(SS/C1=C/c1c3ccccc3nc3ccccc13)C(C)(C)N2 101466078 QBENYSDZGVKTQV-BUVRLJJBSA-N 454.620 7.748 50 10 JKGE FC(F)Oc1cccc([C@H](Br)c2cc(Br)ccc2Br)c1 109844328 RUNXCXWHQGIFGK-ZDUSSCGKSA-N 470.933 6.297 50 10 JKGE COc1cc(Cl)c([C@@H](Br)c2cc(Br)ccc2Cl)cc1OC 109866704 QDSBWJGFFDYHSQ-HNNXBMFYSA-N 454.973 6.257 50 10 JKGE FC(F)Oc1cccc([C@@H](Br)c2cc(Br)sc2Br)c1 109869701 QHAURZQWYWYBFS-SNVBAGLBSA-N 476.962 6.359 50 10 JKGE O=c1[nH]c2cc(Br)c([C@@H](Br)c3c(Cl)cccc3Cl)cc2[nH]1 109884310 YGVIQBMJSFKBNF-CYBMUJFWSA-N 450.945 5.410 50 10 JKGE CCOc1cc(CCl)cc(Br)c1OCc1ccc(I)cc1 115901856 ZBYQATOLDIIAGX-UHFFFAOYSA-N 481.555 5.770 50 10 JKGE COc1cc(Cl)c([C@@H](Br)c2csc(I)c2)cc1OC 124421527 QGYJAVJNFFWUSU-ZDUSSCGKSA-N 473.557 5.508 50 10 JKGE COc1c(C)cc(Br)c(C)c1[C@H](Br)c1ccc(Br)cc1C 125687896 KXRHEUVWEOPUFE-MRXNPFEDSA-N 477.034 6.630 50 10 JKGE COc1ccc(Br)cc1COc1ccc(Br)c(CBr)c1 129039047 FIMIVGAOKDWMLG-UHFFFAOYSA-N 464.979 5.694 50 10 JKGE COc1cc([C@H](Br)c2c(Cl)cccc2Cl)c(OC)cc1Br 134302864 ZRIUEMYPEMLEIX-HNNXBMFYSA-N 454.973 6.257 50 10 JKGE Cc1cc([C@@H](Br)c2cc(Br)ccc2Br)c(F)cc1F 167753767 ZIOJPDFAQWUWEJ-AWEZNQCLSA-N 454.934 6.283 50 10 JKGE CC1(C)CC[C@@H](COc2c(Br)cc(CBr)cc2Br)O1 232790838 UQNIKRZVAGSWNL-JTQLQIEISA-N 457.000 5.443 50 10 JKGE CCOc1ccc([C@@H](Cl)c2ccc(Br)cc2Br)c(Br)c1 233797402 YUGDFGCCWZILQE-HNNXBMFYSA-N 483.425 6.701 50 10 JKGE Clc1ccc(I)c([C@H](Br)c2sccc2Br)c1 236069484 OQHQECNKRANXFJ-JTQLQIEISA-N 492.401 6.253 50 10 JKGE Fc1ccc([C@@H](Br)c2cc(Cl)c(Br)cc2F)cc1Br 236171649 KPIMBJRHPHNCTH-CYBMUJFWSA-N 475.352 6.628 50 10 JKGE Cc1ccc(C)n1-c1ccc(C(=O)NN=Cc2ccc(-c3ccc(Br)cc3)o2)cc1 252589153 AHNHMPPQDRIZIB-UHFFFAOYSA-N 462.347 5.881 50 10 JKGE CC(C)(C)c1ccc(-c2nnc(SCC(=O)NN=Cc3ccc(F)cc3)n2-c2ccccc2)cc1 254708389 FDSYUSPZQBPOQV-UHFFFAOYSA-N 487.604 5.613 50 10 JKGE Cc1ccc(-c2nnc(SCC(=O)NN=Cc3c[nH]c4ccccc34)n2-c2ccc(C)cc2)cc1 254815550 VNDYJWIZUHHRKV-UHFFFAOYSA-N 480.597 5.275 50 10 JKGE O=C(NN=C1C(=O)N(Cc2ccccc2)c2ccccc21)c1cc(-c2ccccc2)nc2ccccc12 254838025 CDUKJCFQEPYKSA-UHFFFAOYSA-N 482.543 5.583 50 10 JKGE 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@@]12C 254878909 FAKDDMAOMPFPIR-CPDOICBISA-N 499.607 8.823 50 10 JKGE CC1(C)C[C@@H](Oc2c(Br)cc(CBr)cc2Br)C(C)(C)O1 300437988 CKTUURZOZODAOS-GFCCVEGCSA-N 471.027 5.831 50 10 JKGE C[C@H]1[C@H](n2c(CCCl)nc3cc(Br)c(F)cc32)CCN1Cc1ccccc1 383537539 CMFFUOFIMYKHNG-IFXJQAMLSA-N 450.783 5.555 50 10 JKGE CC[C@@H]1CCC[C@H](Oc2c(Br)cc(Br)cc2CBr)C1 388874057 GCHXKLITXSZPFI-MFKMUULPSA-N 455.028 6.454 50 10 JKGE C=C(C)[C@@H]1CC[C@]2(N=C=O)CC[C@]3(C)[C@H](CC[C@@H]4[C@]5(C)CCC(=O)C(C)(C)[C@@H]5CC[C@]43C)[C@H]12 504359082 VQWHXXYGQNAQAN-KGGBQFIHSA-N 451.695 7.301 50 10 JKGE biogenic C=C1[C@@H](O)[C@@H]2/C=C/C[C@H](C)CCC[C@H](C)/C=C/C(=O)O[C@]23C(=O)C[C@@H](Cc2ccccc2)[C@@H]3[C@@H]1Cl 675046167 UXVDBQLLXVKPRS-LHEJJDPZSA-N 497.075 5.829 50 10 JKGE C[C@H]1CN(Cc2ccccc2)C[C@H]1Cn1c(CCl)nc2cc(Br)c(F)cc21 708573332 IMYVYOKNFRMSNV-HOCLYGCPSA-N 450.783 5.445 50 10 JKGE COc1cc(C=NNC(=O)CC[C@@H](O)c2ccccc2)cc(Cl)c1OCc1ccccc1F 725405674 JTXWDSYPJNQUKY-JOCHJYFZSA-N 470.928 5.031 50 10 JKGE CC(C)c1nc2ccc(B3OC(C)(C)C(C)(C)O3)cc2n1[C@H]1CC[C@H](O[Si](C)(C)C(C)(C)C)CC1 725419578 GCCULSHSJJIJNO-HZCBDIJESA-N 498.593 6.964 50 10 JKGE CC[C@]12CC[C@@H]3c4cc(Br)c(OC)cc4CC[C@H]3[C@@H]1C[C@@H](Br)C2=O 888085420 YVAQLXGLZQKCLO-ZMFGHIKVSA-N 456.218 5.646 50 10 JKGE Cc1cc(C=NNC(=O)C(=O)Nc2cccc3ccccc23)c(C)n1-c1ccc(Cl)cc1Cl 1084067072 QGYDWMGAXNRPPS-UHFFFAOYSA-N 479.367 5.643 50 10 JKGE COc1cc(/C=C(/C#N)C(=O)Nc2cc(Cl)ccc2Cl)ccc1OC(=O)c1ccc(C)cc1 1084069946 MIVVBBNTZDFVCF-WQRHYEAKSA-N 481.335 6.075 50 10 JKGE COc1ccc(CSCC(=O)NN=Cc2ccc(OCc3cccc4ccccc34)cc2)cc1 1084200776 ZRPPKDMJTLUKMF-UHFFFAOYSA-N 470.594 5.811 50 10 JKGE O=C(NN=C1C(=O)N(C(c2ccccc2)c2ccccc2)c2ccccc21)c1nc2ccccc2s1 1084232315 FFFKENBWCDOEKE-UHFFFAOYSA-N 488.572 5.567 50 10 JKGE N#C/C(=C/c1cn(Cc2ccccc2F)c2ccccc12)C(=O)Nc1ccc(Cl)c(Cl)c1 1084286184 AWPPWRHQCPAKQE-BOPFTXTBSA-N 464.327 6.681 50 10 JKGE Cc1cccc(C)c1-n1c(C)c(Br)c(C=NNC(=O)c2cc3ccccc3cc2O)c1C 1084291490 LJYGEXVJPHCTCS-UHFFFAOYSA-N 490.401 6.096 50 10 JKGE Cc1ccc(NC(=O)/C(C#N)=C\c2cc(-c3ccccc3)n(-c3ccccc3)c2-c2ccccc2)cc1 1084333796 XOWWMQYERKFBTL-HFTWOUSFSA-N 479.583 7.665 50 10 JKGE Cc1cccc(NC(=O)c2oc3c(c2C)C(=NNC(=O)Cc2coc4c(C)c(C)ccc24)CCC3)c1C 1772751496 DNBRTXJQCZGCPS-UHFFFAOYSA-N 497.595 6.220 50 10 JKGE CCCOc1ccc(C=NNC(=O)CCCOc2ccc(CC)cc2Br)cc1OC 1772755450 HWLUGAFZIRBOJE-UHFFFAOYSA-N 477.399 5.118 50 10 JKGE N#CC1=C(N)Oc2c(c(-c3ccccc3)nn2Cc2ccccc2)[C@@H]1c1cccc(Br)c1 1865684834 ZSTLJSIETDSGKB-JOCHJYFZSA-N 483.369 5.579 50 10 JKGE CCc1nn(Cc2cccc(Cl)c2)c2c1[C@H](c1c(Cl)cccc1Cl)C(C#N)=C(N)O2 1865685989 PBACGPNTGILWQF-SFHVURJKSA-N 459.764 5.672 50 10 JKGE Cc1ccc([C@H]2C(C#N)=C(N)Oc3c2c(C(F)(F)F)nn3-c2ccc(Cl)c(Cl)c2)cc1 1865686036 QNZKLUQARTWDKB-INIZCTEOSA-N 465.262 5.725 50 10 JKGE CCCc1nn(-c2ccccc2Cl)c2c1[C@@H](c1c(OC)ccc3ccccc13)C(C#N)=C(N)O2 1865688289 ONJJAFRZNQTXHC-XMMPIXPASA-N 470.960 5.858 50 10 JKGE CCCOc1ccc([C@@H]2C(C#N)=C(N)Oc3c2c(CC)nn3Cc2ccc(Cl)c(Cl)c2)cc1 1865693335 IWEVDBZAXJDWID-JOCHJYFZSA-N 483.399 5.808 50 10 JKGE CCN(CC)c1ccc([C@H]2C(C#N)=C(N)Oc3c2c(C(F)(F)F)nn3Cc2ccccc2F)cc1 1865702182 OXCQPJJAUCVQRK-FQEVSTJZSA-N 485.485 5.154 50 10 JKGE CCc1nn(Cc2ccc(F)cc2)c2c1[C@H](c1ccc(OCc3ccccc3C)cc1)C(C#N)=C(N)O2 1865703340 UKLADEKESXASSW-HHHXNRCGSA-N 494.570 5.739 50 10 JKGE CCc1nn(Cc2ccccc2)c2c1[C@H](c1ccc(OCc3ccccc3Cl)cc1)C(C#N)=C(N)O2 1865703864 HMBHJHXIHVPFTA-AREMUKBSSA-N 496.998 5.944 50 10 JKGE N#CC1=C(N)Oc2c(c(-c3ccccc3)nn2Cc2cccc(Cl)c2)[C@H]1c1cccc([N+](=O)[O-])c1 1865706255 RMKNKQKMYKJJKJ-QFIPXVFZSA-N 483.915 5.378 50 10 JKGE Cc1ccc(-c2nc(Nc3ccc(C(=O)Oc4ccc([N+](=O)[O-])cc4)cc3)sc2C)cc1C 1865789008 NMTGPOQPRUKGTL-UHFFFAOYSA-N 459.527 6.606 50 10 JKGE COc1cc(/C=C(\C#N)c2ccc(C(=O)OC(C)C)o2)ccc1OCC(=O)Nc1ccc(C)cc1 1872728809 VJLDETJVDKMNMN-DEDYPNTBSA-N 474.513 5.244 50 10 JKGE CC(C)(C)c1ccc(-c2csc(/C(C#N)=C(\O)C(c3ccccc3)c3ccccc3)n2)cc1 1872750952 OABTXZRUYUEDLE-PNHLSOANSA-N 450.607 7.732 50 10 JKGE N#C/C(=C(/O)CNC(=O)c1ccc(Cl)cc1Cl)c1nc(-c2cccc3ccccc23)cs1 1872752846 VZABZEQSKATIMJ-QOCHGBHMSA-N 480.376 6.493 50 10 JKGE CCCCCCCOc1ccc(-c2csc(/C(C#N)=C(\O)Cc3c[nH]c4ccccc34)n2)cc1 1872753145 IVGCKQQBNZZRQN-PNHLSOANSA-N 471.626 7.676 50 10 JKGE Cc1ccc(-c2csc(/C(C#N)=C(\O)[C@H](C)Oc3ccc(Cl)cc3Br)n2)cc1C 1872756746 YTTPLYJKHCWXKL-NNLSSIJJSA-N 489.822 7.103 50 10 JKGE CCc1cccc(CC)c1N1C[C@H](/C(O)=C(\C#N)c2nc(-c3c(C)cc(C)cc3C)cs2)CC1=O 1872757038 NUQGKXWQISCYOL-PMHNHTQJSA-N 485.653 6.706 50 10 JKGE COc1c(C)cc(Cl)cc1-c1csc(/C(C#N)=C(\O)COc2cc(C)c(Cl)c(C)c2)n1 1872757216 VEBWRPAIPMYIEL-ZZEZOPTASA-N 475.397 6.922 50 10 JKGE COc1cc(/C=C(\C#N)c2nc(-c3ccc4c(c3)CCCC4)cs2)ccc1OCCc1ccccc1 1872782517 JZZFYRVVCPMXQX-WPWMEQJKSA-N 492.644 7.383 50 10 JKGE N#C/C(=C\c1c(OCc2ccccc2)ccc2ccccc12)c1nc(-c2ccc(F)cc2F)cs1 1872784126 DJZBKESZGOHIMP-KGENOOAVSA-N 480.539 7.885 50 10 JKGE COc1cccc(/C=C(\C#N)c2nc(-c3cccc4ccccc34)cs2)c1OCc1cccc(C)c1 1872792236 MLHIGOJYDOFGKR-KOEQRZSOSA-N 488.612 7.924 50 10 JKGE COc1ccc(OC/C(O)=C(\C#N)c2nc(-c3cc(C)ccc3OC)cs2)c(C(C)(C)C)c1 1873920307 CKWCAJPFMRJVDN-QOCHGBHMSA-N 464.587 6.305 50 10 JKGE C[C@@H]1OCC[C@H]1CCOc1c(Br)cc(Br)cc1CBr 1885696763 POXBSZHDCQTDSE-UWVGGRQHSA-N 457.000 5.300 50 10 JKGE CC(C)(C)O[C@H]1C[C@@H]([C@H](Br)c2cc(Br)c(Br)s2)C1 1913998916 MHEZFFWRJSHECQ-RNSXUZJQSA-N 461.057 6.303 50 10 JKGE O=S(=O)(c1cc(CCl)c(Cl)cc1Cl)N(Cc1ccccc1)Cc1cccs1 1914890327 IDAMXESPNTZAGM-UHFFFAOYSA-N 460.835 6.185 50 10 JKGE FC(F)Oc1ccccc1[C@@H](Br)c1sc(Br)cc1Br 1922954222 LYYZPQXLEGNSDC-SNVBAGLBSA-N 476.962 6.359 50 10 JKGE C[C@@H](C[C@H](Br)c1c(Br)sc(Br)c1Cl)C(C)(C)C 1923050038 PLIYVDBTUMWRFJ-BQBZGAKWSA-N 467.492 7.435 50 10 JKGE CC[C@]1([C@@H](Cl)c2c(Br)sc(Br)c2Br)CC1(F)F 1924568173 CJRJHHTUGMTTTH-IMTBSYHQSA-N 473.402 6.751 50 10 JKGE Clc1sc(Br)c(Cl)c1[C@@H](Br)c1sccc1Br 1925569604 VPIKXUIHKPZGRS-RXMQYKEDSA-N 485.875 7.126 50 10 JKGE Cc1cc(Br)c([C@@H](Br)c2c(Cl)sc(Cl)c2Cl)cc1Cl 1925590987 SUVJVWOIHJLLJW-SECBINFHSA-N 483.867 7.917 50 10 JKGE C[C@H]1COc2ccc([C@H](Br)c3cccc(Br)c3Br)cc21 1925683018 AYSRIVQYAIIDOQ-VFZGTOFNSA-N 460.991 6.192 50 10 JKGE C[C@H]([C@H](Cl)c1c(Br)sc(Br)c1Br)C(F)(F)F 1984582801 DNGOHPTVNRRPDI-MVHIGOERSA-N 465.354 6.514 50 10 JKGE FC(F)(F)c1csc([C@H](Br)c2sncc2Br)c1Br 2028525535 VFTCQCJMTMSPRN-ZCFIWIBFSA-N 485.970 6.233 50 10 JKGE COc1cc(Br)c(C)cc1[C@H](Cl)c1sccc1I 2029251420 IUMQWKUBHJTTMP-LBPRGKRZSA-N 457.558 5.760 50 10 JKGE Cc1sc(C)c([C@H](Br)c2cccc(Br)c2Br)c1C 2031482543 UAAWUZPONIRTKW-CQSZACIVSA-N 453.037 6.683 50 10 JKGE CC(C)(C)C(=O)[C@@H](Br)Cc1ccc(Cl)c(I)c1Cl 2032957186 NBMQNGWHDYAYAE-QMMMGPOBSA-N 463.968 5.519 50 10 JKGE Fc1cc(Cl)c([C@H](Br)c2csc(Br)c2Br)cc1F 2032959047 SGJPVMJTNLFADU-VIFPVBQESA-N 481.381 6.689 50 10 JKGE Cn1ncc([C@@H](Br)Cc2c(Cl)cccc2Cl)c1I 2042860040 TYTWUEAKQNGDID-VIFPVBQESA-N 459.940 5.010 50 10 JKGE FC1(F)CC2(C[C@H]2[C@H](Br)c2c(Br)sc(Br)c2Cl)C1 2069069495 SPCQSTDCHHISMP-NJGYIYPDSA-N 485.413 6.798 50 10 JKGE Cc1cc(Br)c(C)c([C@@H](Cl)c2ccsc2Br)c1Br 2081074135 PGAFNURYSZISGB-LBPRGKRZSA-N 473.455 6.981 50 10 JKGE Clc1cc([C@H](Br)c2csc3c(Br)cccc23)sc1Cl 2099838875 LIVAJKJVUYMBPK-LLVKDONJSA-N 457.039 7.516 50 10 JKGE FC1(F)C[C@]12CCC[C@@H]([C@@H](Br)c1cc(Br)c(Br)s1)C2 2099910382 DIZARQLPHWCGCF-NYRNMGCKSA-N 479.022 6.925 50 10 JKGE Clc1ccccc1[C@@H](CBr)Cc1cc(Br)ccc1Br 2118523910 CXBCVTNFDCUVRV-LLVKDONJSA-N 467.426 6.586 50 10 JKGE O=C(NC12CCC(CBr)(CC1)C2)c1cc(Br)sc1Br 2132805265 UWDLAGNXKSUONO-UHFFFAOYSA-N 472.040 5.101 50 10 JKGE Cc1cc(Br)c(C)c([C@H](Br)C2CC3(CCC3)C2)c1Br 2136366694 KMMBDOYFUFISOR-OAHLLOKOSA-N 451.040 6.845 50 10 JKGE Cc1c(Br)ccc([C@H](Br)[C@H]2CCCCC2(F)F)c1Br 2138849606 FLUYOEMZOLXRMR-MFKMUULPSA-N 460.982 6.782 50 10 JKGE C[C@H](Cl)c1nc2cc(Br)cnc2n1[C@@H]1CCOC[C@@H]1OCc1ccccc1 2146522741 NFIUCKGBVNVSJZ-VHSSKADRSA-N 450.764 5.040 50 10 JKGE Cc1cc(Br)c([C@H](Cl)c2cc(C3CC3)c(Br)s2)cc1Cl 2151030927 AHFASHMROGLDGM-AWEZNQCLSA-N 455.042 7.441 50 10 JKGE O=C(c1cc(Br)c(Br)s1)N1CCC[C@@]2(CBr)CCC[C@H]12 2165295174 XNSKVRSJJZDNFQ-SMDDNHRTSA-N 486.067 5.443 50 10 JKGE CC(C)(C)OC(=O)n1c(B2OC(C)(C)C(C)(C)O2)cc2c(O[Si](C)(C)C(C)(C)C)cccc21 2181946978 SVSTVMZNEHDKGQ-UHFFFAOYSA-N 473.495 6.108 50 10 JKGE Cc1cc(Br)c(C)c([C@@H](Br)C[C@H]2CC(C)(C)CO2)c1Br 2201066128 XDIVNMKBLKBIBS-AAEUAGOBSA-N 469.055 6.470 50 10 JKGE BrC[C@H](C1CC1)N(Cc1ccccc1)C[C@@H]1CC1(Br)Br 2209114462 VRRIUYOHAJQMJQ-LSDHHAIUSA-N 466.055 5.168 50 10 JKGE Cc1ccc([C@@H](Br)c2sc(Br)cc2C)cc1I 2213001094 OYTDNYGTMHWSJB-GFCCVEGCSA-N 486.010 6.216 50 10 JKGE COc1cscc1[C@@H](Br)c1cc(Br)c(Br)cc1F 2218599003 XTUCMEOXOYKRAZ-LBPRGKRZSA-N 458.972 5.905 50 10 JKGE CO[C@@H]1CC[C@@H]1C[C@@H](Br)c1c(Br)cc(Cl)c(Cl)c1Cl 2224306392 CEJFOZQHBXXDDL-BRDIYROLSA-N 451.413 6.660 50 10 JKGE COc1ccc([C@H](Br)c2c(Br)cc(Cl)c(Cl)c2Cl)s1 2224321092 KTKWCQBREPQSEA-JTQLQIEISA-N 465.421 6.964 50 10 JKGE Clc1cc(Br)c([C@H](Cl)c2c(Cl)cccc2Cl)c(Cl)c1Cl 2232511113 JAVLUPXHBFRZGK-LBPRGKRZSA-N 453.805 8.044 50 10 JKGE CC(C)([C@@H]1CCCO1)[C@@H](Br)c1c(Br)cc(Cl)c(Cl)c1Cl 2232530745 UTYOLIMWUYVXKO-ZANVPECISA-N 465.440 7.051 50 10 JKGE C[C@H]1CN(Cc2ccccc2)C[C@H]1n1c(CCCl)nc2c(F)cc(Br)cc21 2232920552 QCUHBBOBLUOCML-IFXJQAMLSA-N 450.783 5.412 50 10 JKGE COc1c(C(C)C)cc(Br)cc1[C@H](Br)c1csc(Br)c1 2233158529 BJWFDEPYZZRZAT-CQSZACIVSA-N 483.063 6.889 50 10 JKGE Clc1ccc(CO[C@@H](CI)c2cccc(Br)c2)c(Cl)c1 2239709081 NZFWSVAKMOAOJK-HNNXBMFYSA-N 485.974 6.449 50 10 JKGE Cc1ccc(I)c([C@H](Cl)c2csc3c(Br)cccc23)c1 2240994681 BFFAXPBFVSWBCI-HNNXBMFYSA-N 477.592 6.905 50 10 JKGE CC(C)(C)OC(=O)N1CCC[C@](CBr)(OCc2ccc(Br)cc2F)C1 2255295158 HPZAMYHGSYISPC-GOSISDBHSA-N 481.200 5.269 50 10 JKGE COc1cc(Cl)c([C@@H](Cl)c2scc(Br)c2Cl)cc1Br 2264604609 FUSWCZIORZWKGY-SNVBAGLBSA-N 465.421 6.917 50 10 JKGE CC(C)(C)OC(=O)N1CCC[C@](CI)(OCC[C@@H]2CCCCC23CC3)C1 2264858736 DRVDPZSUISLVCQ-LAUBAEHRSA-N 477.427 5.568 50 10 JKGE COc1ccc([C@H](Br)c2ccc(Cl)cc2Cl)cc1I 2269557235 SVMFYQTYMBWGRX-AWEZNQCLSA-N 471.947 6.091 50 10 JKGE Fc1cc(Br)c(F)c(Br)c1[C@@H](Br)[C@@H]1C[C@H]2CC[C@H]1O2 2272730142 BJMYIYRNQKQWIU-KFRUTSSUSA-N 460.938 5.493 50 10 JKGE CS(=O)(=O)c1csc([C@H](Br)c2cc(F)c(Br)cc2Cl)c1 2282906828 HFYJOGFNBIZWEJ-GFCCVEGCSA-N 462.587 5.191 50 10 JKGE Fc1cc(Br)c(F)c(Br)c1[C@H](Br)C12CCC(F)(CC1)C2 2288343751 BHXKUOVGFPQJCZ-HSBZDZAISA-N 476.956 6.598 50 10 JKGE CC(C=NNC(=O)CSc1nnc(-c2ccc(C)cc2)n1-c1ccc(Cl)cc1)=Cc1ccco1 2293744146 HPKPFWGGTPETNL-UHFFFAOYSA-N 492.004 5.787 50 10 JKGE Cc1cccc(NC(=O)C(C#N)=Cc2ccc(-c3ccc([N+](=O)[O-])cc3Br)o2)c1 2294171845 CNPNUZIVRANBHC-UHFFFAOYSA-N 452.264 5.471 50 10 JKGE Cc1cccc(NC(=O)C(C#N)=Cc2c(C)n(Cc3ccc([N+](=O)[O-])cc3)c3ccccc23)c1 2294175311 ZZBAOBWYSZPUBM-UHFFFAOYSA-N 450.498 5.760 50 10 JKGE COc1cc(OC)c([C@H](Br)c2cc(Cl)c(Cl)s2)cc1Br 2295421025 JZYUDNYSOKEHQB-LBPRGKRZSA-N 461.002 6.319 50 10 JKGE CCOc1ccccc1NC(SCc1cc(F)ccc1F)=C(C#N)C(=O)NCc1ccccc1 2297414573 MQUCEDCNVOMKAK-UHFFFAOYSA-N 479.552 5.760 50 10 JKGE COc1cc([C@@H](Br)c2sc(Br)cc2Br)sc1Cl 2301933215 OXRHYUPOUGIFQT-MRVPVSSYSA-N 481.456 6.481 50 10 JKGE N#CC(=Cc1cc(Cl)cc(Cl)c1OCc1ccc(F)cc1)C(=O)NCc1ccccc1 2313565312 LXQOUKNWKJEIHJ-UHFFFAOYSA-N 455.316 5.935 50 10 JKGE CCOc1cc(C=C(C#N)C(=O)N(C)C)c(Br)cc1OCc1cccc2ccccc12 2313568927 ZEJCZYYULKFDPA-UHFFFAOYSA-N 479.374 5.575 50 10 JKGE N#CC(=Cc1cc(Cl)ccc1OCc1ccc(Cl)cc1Cl)C(=O)Nc1ccccc1Cl 2313637773 ARWXMWFZNKQEEJ-UHFFFAOYSA-N 492.189 7.425 50 10 JKGE N#CC(=Cc1cccc(OCc2ccccc2Cl)c1)C(=O)Nc1cc([N+](=O)[O-])ccc1Cl 2313681134 MCJVMAFGFGYEBQ-UHFFFAOYSA-N 468.296 6.026 50 10 JKGE Fc1cc(Cl)c(Br)c(Cl)c1[C@H](Br)c1sccc1Cl 2313742681 HCCSFWHCQAXLQV-VIFPVBQESA-N 453.385 7.094 50 10 JKGE Brc1cc(OCc2ccccc2)ccc1[C@@H](Br)[C@H]1CC12CCCCC2 2314460721 ODCLEKORDROJAW-TZIWHRDSSA-N 464.241 7.435 50 10 JKGE Brc1cc(OCc2ccccc2)ccc1[C@H](Br)[C@H]1Cc2ccccc21 2314501062 TYPBIBKZAOSAFF-UNMCSNQZSA-N 458.193 6.804 50 10 JKGE CCCCCCOc1ccc(C=C(C#N)C(=O)Nc2nc(-c3ccc(C)cc3)cs2)cc1OC 2314729010 RJZBPCRJZZETQX-UHFFFAOYSA-N 475.614 6.632 50 10 JKGE Fc1c(Br)cc(Cl)c([C@@H](Cl)c2ccc(Cl)s2)c1Br 2315439335 DACZJBKRDZGIEB-JTQLQIEISA-N 453.385 7.047 50 10 JKGE Fc1c(Br)cc(Cl)c([C@@H](Cl)c2ccc(Br)s2)c1Br 2315453782 PURKYDFVWHNPII-JTQLQIEISA-N 497.836 7.156 50 10 JKGE Fc1cc(Cl)c([C@@H](Cl)c2cc(Br)c(Br)s2)c(Cl)c1 2318359261 QBNAZZISNXUUFW-JTQLQIEISA-N 453.385 7.047 50 10 JKGE BrCc1ccc(Br)cc1OCc1cccc(I)c1 2319170151 ZBTWZWITAMZJRG-UHFFFAOYSA-N 481.953 5.528 50 10 JKGE Cc1ccc(-c2csc3nc(SCC(=O)NN=CC=Cc4ccccc4)nc(O)c23)cc1 2320488238 NXDIQKRDLDBZKP-UHFFFAOYSA-N 460.584 5.280 50 10 JKGE CCOc1cc(C=NNC(=O)Cc2ccc(OC)cc2)ccc1OCc1cccc(Cl)c1 2323331817 PXARDMUNRNQXLD-UHFFFAOYSA-N 452.938 5.019 50 10 JKGE CC(C)(C)OC(=O)N1CCC[C@H]1C(=O)NN=Cc1cccc(OCc2c(Cl)cccc2Cl)c1 2328829494 RFHQGWNJVKUNPP-NRFANRHFSA-N 492.403 5.422 50 10 JKGE CCc1cccc(C)c1N1C[C@@H](C(O)=C(C#N)c2nc(-c3cccc([N+](=O)[O-])c3)cs2)CC1=O 2331232546 GRFGTLFAVJLCBT-SFHVURJKSA-N 474.542 5.435 50 10 JKGE Cc1cc(-c2csc(C(C#N)=C(O)[C@@H](CC(C)C)N3C(=O)c4ccccc4C3=O)n2)ccc1F 2331320336 AINSWLDAPKYTMG-JOCHJYFZSA-N 475.545 5.761 50 10 JKGE COc1cc(C(=O)NCC(O)=C(C#N)c2nc(-c3ccc(C(C)C)cc3)cs2)cc(OC)c1OC 2331339951 HLGYEEORBQMIGO-UHFFFAOYSA-N 493.585 5.182 50 10 JKGE CC(C)c1ccc(-c2csc(C(C#N)=C(O)CCCN3C(=O)c4ccccc4C3=O)n2)cc1 2331340809 RYKBJLGQTFAPPE-UHFFFAOYSA-N 457.555 5.803 50 10 JKGE CC(C)(C)c1ccc(C(O)=C(C#N)c2nc(-c3ccc(Oc4ccccc4)cc3)cs2)cc1 2331360150 IRPUZUAHFXUJLW-UHFFFAOYSA-N 452.579 7.850 50 10 JKGE COc1cc(OC)c(-c2csc(C(C#N)=C(O)CCc3ccc(Cl)cc3)n2)cc1Cl 2331381075 GDCNEDGIJIQZSV-UHFFFAOYSA-N 461.370 6.560 50 10 JKGE CCOc1c(Br)cc(C=C(C#N)c2nc(-c3ccc(Cl)s3)cs2)cc1OC 2331484978 HAGSVKVEMRFGOB-UHFFFAOYSA-N 481.824 6.759 50 10 JKGE Cc1oc(Br)cc1[C@@H](Cl)c1c(Cl)cc(Br)c(F)c1Br 2337084052 GYYYILHJSLFYOJ-LLVKDONJSA-N 495.795 6.996 50 10 JKGE ClC[C@@H](Cc1ccc(Cl)c(I)c1)c1ccc(Br)cc1 2337221345 NJYBTXCKGMRGIV-GFCCVEGCSA-N 469.975 6.272 50 10 JKGE COc1c(Br)cc(C)c([C@H](Br)[C@H]2C[C@@H]3C[C@@H]3C2)c1Br 2339650274 DMFQVCYRMBCJPY-BSTOTGJRSA-N 453.012 6.011 50 10 JKGE CC(C)(C)C[C@@H](CCl)CNCc1ccc(I)c(Br)c1 2349852869 LQRUMNRYEXOEJK-LBPRGKRZSA-N 458.609 5.435 50 10 JKGE Cc1cc(Br)c(C(C)C)cc1[C@H](Br)c1cocc1Br 2352804408 FIMWNJQCFIYKJH-HNNXBMFYSA-N 450.996 6.721 50 10 JKGE CN(CCn1cc(Br)cn1)c1c(CBr)ccc(Br)c1Cl 2361520158 UMNBLALRKBUYLT-UHFFFAOYSA-N 486.433 5.093 50 10 JKGE CCc1ccc(OC)c([C@H](Cl)c2cc(Br)ccc2I)c1 2361925355 JJTOFHVNTSCQBO-MRXNPFEDSA-N 465.556 5.953 50 10 JKGE CC1(C)CCC[C@@](CBr)(Cc2ccc(Cl)c(I)c2)CC1 2362379265 LVQYDENWLMUGOD-KRWDZBQOSA-N 469.632 6.859 50 10 JKGE CCc1cnccc1COc1c(Br)cc(CBr)cc1Br 2365594441 YKWYFYRVVSLFRM-UHFFFAOYSA-N 463.995 5.643 50 10 JKGE CCc1cc(Br)c(OC)c([C@H](Br)c2nc(C)sc2Br)c1 2381254430 QXPXCYOSGNAPOH-NSHDSACASA-N 484.051 6.032 50 10 JKGE Cc1ccc(Nc2nc(Nc3ccc(C)cc3C)nc(N(CCCl)CCCl)n2)c(C)c1 2431891 YPKVLERPTJTNJD-UHFFFAOYSA-N 459.425 5.876 50 10 JKGE N#CC(C(=O)CSC1=N/C(=C/c2ccccc2)C(=O)N1c1ccc(F)cc1)=C1Nc2ccccc2N1 9730465 QOUSDQVEISZZGW-OEAKJJBVSA-N 495.539 5.144 50 10 JKGE CCCCCCOc1ccc(Br)cc1C(=O)NNC(=O)c1ccc(C(C)(C)C)cc1 14648341 GTPREWDYGSWYIE-UHFFFAOYSA-N 475.427 5.781 50 10 JKGE O=C(CCOc1cccc(Br)c1)N/N=C\c1ccc(-c2ccc(Cl)cc2Cl)o1 20071868 ADFRDGRXHDSBFE-MSXFZWOLSA-N 482.161 5.935 50 10 JKGE O=C(COc1cccc2ccccc12)N/N=C/c1cccc(OCc2cccc(Br)c2)c1 20534016 UXVGZDIARYJCHH-LQKURTRISA-N 489.369 5.710 50 10 JKGE CCOC(=O)c1c(NC(=O)/C(C#N)=C\c2ccc(-c3cccc([N+](=O)[O-])c3)o2)sc2c1CCCC2 33922135 GIHXUMSCKOGNTK-SSZFMOIBSA-N 491.525 5.517 50 10 JKGE CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(F)cc2)ccc1Oc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] 34798285 WBKXLQTYRFZCKS-LFIBNONCSA-N 492.419 5.379 50 10 JKGE N#C/C(=C\c1ccc(-c2cc(Cl)ccc2Cl)o1)C(=O)Nc1ccc([N+](=O)[O-])cc1Cl 35519479 PSUJMTFQPFKSSC-YRNVUSSQSA-N 462.676 6.361 50 10 JKGE CCCCCOc1ccc(C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@H]3c2ccc(C(C)C)cc2)cc1 38649514 BMBKCCUYJYUZBG-LJAQVGFWSA-N 496.607 6.816 50 10 JKGE CCCCCOc1ccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4cccc(Cl)c4)ccc32)cc1 38685497 DMKSAWZEZPMVNE-SANMLTNESA-N 488.971 6.346 50 10 JKGE Cc1c(C(=O)Nc2cc(Cl)ccc2Cl)oc2c1/C(=N/NC(=O)c1ccccc1F)CCC2 40812432 XWVGADCIVUVEGT-OGLMXYFKSA-N 474.319 5.757 50 10 JKGE COc1cccc(C(=O)N/N=C2\CCCc3oc(C(=O)Nc4ccc(Cl)cc4C)c(C)c32)c1 40822242 BOLMICSIVHUDMW-VFCFBJKWSA-N 465.937 5.281 50 10 JKGE COC(=O)c1ccc(-n2c(C)cc(/C=N/NC(=O)c3cc4cc(Br)ccc4o3)c2C)cc1 59304349 SZONZTTZHNFWQS-LGJNPRDNSA-N 494.345 5.153 50 10 JKGE CCCCCCOc1ccccc1C(=O)N/N=C(/c1ccccc1)[C@@H]1C(=O)N(c2ccccc2)N=C1C 59377925 JLJBDDJBDMIBAQ-DCLFWYDYSA-N 496.611 5.819 50 10 JKGE CCOC(=O)/C(C#N)=C/c1cc(I)c(OCc2ccccc2Cl)c(OC)c1 59485164 ABQHRIKWQPOIMN-OVCLIPMQSA-N 497.716 5.002 50 10 JKGE Fc1cc(Br)c(Cl)cc1[C@H](Br)c1cc2c(s1)CCCCC2 97895814 QUWNDNCORGAPNI-INIZCTEOSA-N 452.614 7.056 50 10 JKGE Cc1ccc(S(=O)(=O)/C(C#N)=C\c2cn(-c3ccccc3)nc2-c2ccc3c(c2)C[C@@H](C)O3)cc1 102861649 DPOWYYLKEVAQAM-WWAUWJAYSA-N 481.577 5.510 50 10 JKGE C/C(CC(=O)Nc1ccccc1-c1ccccc1)=N\NC(=O)COc1ccc(Br)cc1 103628147 RWTFASPRUJXZSX-WPWMEQJKSA-N 480.362 5.016 50 10 JKGE Clc1ccc(C[C@@H](Br)c2cc(Br)sc2Br)cc1 109869738 XGHBVLATUOCEEZ-SNVBAGLBSA-N 459.428 6.605 50 10 JKGE Fc1ccc([C@@H](Br)c2ccccc2I)cc1Br 123786006 FRVPYJDWKINQDX-CYBMUJFWSA-N 469.917 5.677 50 10 JKGE Fc1cccc([C@@H](Cl)c2cc(Br)c(Br)s2)c1Br 156132075 PTVCBVLIHMVLLQ-SNVBAGLBSA-N 463.391 6.503 50 10 JKGE CCc1ccc([C@@H](Br)c2cc(Br)ccc2Br)cc1CC 161119344 ROSFBIZKLIJZHQ-QGZVFWFLSA-N 461.035 6.821 50 10 JKGE Cc1cc(Br)ccc1N/C=C(/C#N)C(=O)Nc1ccccc1Sc1ccccc1 217243944 FLSMHQQSPAGJFA-ICFOKQHNSA-N 464.388 6.367 50 10 JKGE O=[N+]([O-])c1cc(Br)ccc1Oc1ccc(Br)cc1CBr 232479258 HBRBDJCGIJRVLN-UHFFFAOYSA-N 465.923 5.807 50 10 JKGE CC[C@@H](C)c1ccc([C@@H](Br)c2cc(Br)sc2Br)cc1 233865339 QGTNQRZTBSQFNK-YMTOWFKASA-N 467.064 7.271 50 10 JKGE COc1cc(C)c(Br)cc1[C@H](Br)c1ccc(Cl)c(Br)c1 234805546 NGACKTJGASMOPA-OAHLLOKOSA-N 483.425 6.666 50 10 JKGE Cl[C@H](Cc1nc2ccccc2s1)c1cc(I)ccc1Br 236035010 HQAOLRGHGWJMBV-GFCCVEGCSA-N 478.580 6.186 50 10 JKGE CCCOc1ccc(/C=C(/NC(=O)c2ccccc2)C(=O)NN=C/C=C/c2ccccc2)cc1 254764822 XSVRLDAFKQIWSY-GYDDYNNDSA-N 453.542 5.062 50 10 JKGE COc1ccc(C=NNC(=O)c2cc(-c3ccccc3OC(C)C)nc3ccccc23)cc1O 254765207 JMFVSBVBOOLXHS-UHFFFAOYSA-N 455.514 5.167 50 10 JKGE BrCc1csc2c(I)cc(I)cc12 307556977 KCZGXZSBHFECFC-UHFFFAOYSA-N 478.918 5.005 50 10 JKGE C[C@H](Br)C[C@H]1CCCCN1C(=O)c1ccc(I)c(Cl)c1 313010682 WHJGHINLODVLFX-CMPLNLGQSA-N 470.576 5.113 50 10 JKGE Clc1cc(CC(CBr)(CBr)c2ccc(Br)cc2)cs1 380844627 ZFCXGYJKULKEPJ-UHFFFAOYSA-N 487.482 6.434 50 10 JKGE C[C@@H](Cl)C[C@@H]1CCCCN1C(=O)c1cc(Br)ccc1I 383614383 SUQXEDYVFXCNDR-PWSUYJOCSA-N 470.576 5.066 50 10 JKGE Cc1cc(Br)c([C@@H](Cl)c2cc(Br)oc2C)cc1Br 396482259 XPDYSMJHATWNEQ-ZDUSSCGKSA-N 457.387 6.512 50 10 JKGE Fc1cc(Br)c([C@H](Br)c2sccc2Br)c(F)c1F 398510543 HYAVPEIXYSWAPS-QMMMGPOBSA-N 464.926 6.175 50 10 JKGE Cc1oc(Br)cc1[C@H](Br)c1c(Br)cc(F)c(F)c1F 398731940 MUEMAIWNKSDZAK-JTQLQIEISA-N 462.885 6.015 50 10 JKGE Fc1cc(Br)ccc1[C@H](Br)c1ccc(F)c(Br)c1F 691638017 XILQZNVXBMNROY-NSHDSACASA-N 458.897 6.113 50 10 JKGE Cc1cc(Br)c([C@@H](Br)[C@H]2CCCC3(CC3)C2)cc1Br 696529720 VEBDCXNOKMLHIF-NHYWBVRUSA-N 451.040 6.926 50 10 JKGE CN(C[C@@H]1CCCN(Cc2ccccc2)C1)c1ccc(Br)cc1CBr 720016612 LOQFHSHERVYLAH-SFHVURJKSA-N 466.261 5.692 50 10 JKGE Cc1sc(C)c([C@H](Cl)c2ccc(I)c(Br)c2)c1C 722500863 LUAXSEHDXKPZEB-CQSZACIVSA-N 455.586 6.369 50 10 JKGE O=C(NN=Cc1ccc(-c2cccc(C(F)(F)F)c2)o1)c1cc(Br)ccc1O 725390681 FYIZZXKTJODABA-UHFFFAOYSA-N 453.214 5.197 50 10 JKGE COc1cc(C=NNC(=O)c2cccc(C)c2)ccc1OCc1ccc(Br)cc1 725391647 ZOWGGPJBFSRBME-UHFFFAOYSA-N 453.336 5.109 50 10 JKGE Cc1cc(C=NNC(=O)c2ccccc2Br)c(C)n1-c1ccccc1C(=O)OC(C)C 1083933221 OQDJGEVBMWDNER-UHFFFAOYSA-N 482.378 5.186 50 10 JKGE Cc1ccc(C)c(NC(=O)/C(C#N)=C/c2cc(Br)cc(Br)c2O)c1 1084264596 KEFCNRAWWIQDFT-AWNIVKPZSA-N 450.130 5.080 50 10 JKGE N#C/C(=C/c1cc(Cl)ccc1OCc1ccccc1F)C(=O)Nc1ccc(Cl)c(Cl)c1 1084551554 IJHYGYDWTYWWPR-SXGWCWSVSA-N 475.734 6.911 50 10 JKGE Cc1ccc(NC(=O)c2oc3c(c2C)C(=NNC(=O)c2cccs2)CCC3)c(Br)c1 1772748998 IRLPQJCURFTYPJ-UHFFFAOYSA-N 486.391 5.443 50 10 JKGE N#CC1=C(N)Oc2c(c(-c3ccccc3)nn2-c2ccccn2)[C@@H]1c1ccc(Cl)c(Cl)c1 1865685959 PKXGMQCCUHSPRR-HXUWFJFHSA-N 460.324 5.459 50 10 JKGE CCCc1nn(Cc2ccc(Cl)cc2)c2c1[C@@H](c1cc(Cl)ccc1O)C(C#N)=C(N)O2 1865689630 UXKQLCXDWLVSOM-FQEVSTJZSA-N 455.345 5.114 50 10 JKGE COc1ccc(-c2nn(Cc3c(F)cccc3Cl)c3c2[C@H](c2cccs2)C(C#N)=C(N)O3)cc1 1865697976 HJILVBREALHEQY-NRFANRHFSA-N 492.963 5.679 50 10 JKGE N#CC1=C(N)Oc2c(c(-c3ccccc3)nn2Cc2ccccc2Cl)[C@@H]1c1cccc([N+](=O)[O-])c1 1865705762 FDTWTVVKTOHWSC-JOCHJYFZSA-N 483.915 5.378 50 10 JKGE CCCc1nn(Cc2ccc(Cl)cc2)c2c1[C@@H](c1cc(Cl)c(O)c(OC)c1)C(C#N)=C(N)O2 1865707380 VPEPTGVUXDZLDY-FQEVSTJZSA-N 485.371 5.123 50 10 JKGE COc1ccc(-c2nn(-c3ccccc3)c3c2[C@@H](c2ccc(Br)cc2)C(C#N)=C(N)O3)cc1 1865715083 VLTNLCYPMKLXJF-QFIPXVFZSA-N 499.368 5.529 50 10 JKGE CCCC[C@H](NC(=O)CCc1csc(-c2ccccc2)n1)C(=O)Nc1ccc(SC#N)cc1 1867047169 HGTKXRXFTZRNIB-QFIPXVFZSA-N 478.643 5.630 50 10 JKGE COc1ccc(-c2csc(/C(C#N)=C(\O)CCCOc3ccc(Cl)cc3Cl)n2)cc1 1872745772 CBUDSDLFJBSAAU-JZJYNLBNSA-N 461.370 6.777 50 10 JKGE C[C@H](Oc1ccc(Cl)cc1Cl)/C(O)=C(\C#N)c1nc(-c2ccc(Cl)cc2)cs1 1872748223 NTBNZLOABHBGKA-HSHIVQNRSA-N 451.762 7.030 50 10 JKGE N#C/C(=C(O)\C=C\c1ccc(OCc2ccccc2)cc1)c1nc(-c2cccc3ccccc23)cs1 1872752178 QLEBGMFBMRKGIF-OGGNAWFISA-N 486.596 8.048 50 10 JKGE COc1cc(OC)c(-c2csc(/C(C#N)=C/c3cc(Br)ccc3F)n2)cc1Cl 1872793615 KBUQBDBRRIRSEH-LFYBBSHMSA-N 479.758 6.446 50 10 JKGE Cl[C@H](c1cocc1Br)c1cc(Br)ccc1OCc1ccccc1 1899856275 GQTKSZISHDCLHG-SFHVURJKSA-N 456.561 6.712 50 10 JKGE CC(C)[C@H](CBr)N(Cc1ccccc1)Cc1ccc(Br)cc1Cl 1915256501 ACGVYYLGHCUICA-IBGZPJMESA-N 459.653 6.524 50 10 JKGE Fc1cccc([C@@H](Br)c2c(Br)sc(Br)c2Cl)c1F 1923037472 DFKXNJUQLDGJEG-SSDOTTSWSA-N 481.381 6.689 50 10 JKGE COc1csc([C@H](Br)c2c(Br)sc(Br)c2Cl)c1 1923047747 CRTRKZOVWUPDMX-ZETCQYMHSA-N 481.456 6.481 50 10 JKGE FC1(F)[C@@H]([C@@H](Cl)c2c(Br)sc(Br)c2Cl)C12CCCC2 1923054294 CVDNJGSGYYECED-XPUUQOCRSA-N 454.989 7.032 50 10 JKGE Clc1c(Br)sc(Br)c1[C@H](Br)C1CC[C@H]2C[C@@H]2CC1 1923068464 RUDJOUIVUQSMLT-OYNCUSHFSA-N 477.487 7.189 50 10 JKGE CC1(C)[C@H]2C[C@H]([C@H](Br)c3c(Br)sc(Br)c3Cl)C[C@H]21 1923068617 UNXBZUZVSACWIE-LKHWLPBLSA-N 477.487 7.045 50 10 JKGE Clc1ccc([C@H](Cl)c2c(Br)sc(Br)c2Br)o1 1924579743 JPUSNPRJJYVKIT-ZETCQYMHSA-N 469.807 6.610 50 10 JKGE CCc1ccc([C@@H](Cl)c2c(Br)sc(Br)c2Br)cc1 1924585871 RKBMNFSVOIDBHC-LLVKDONJSA-N 473.455 6.926 50 10 JKGE Fc1ccc(Cl)c([C@@H](Cl)c2c(Br)sc(Br)c2Br)c1 1924590727 LEKCGWZZWXPBIB-SECBINFHSA-N 497.836 7.156 50 10 JKGE Cl[C@H](c1c(Br)sc(Br)c1Br)[C@@]12CCCC[C@@H]1CCC2 1924616395 OEYHYHRKFAHVEG-XPLICSAQSA-N 491.514 7.676 50 10 JKGE Clc1sc(Br)c(Cl)c1[C@H](Br)[C@@H]1CCc2ccccc2C1 1925600633 SIAKMVONRUCZHN-ZYHUDNBSSA-N 455.042 7.059 50 10 JKGE O=C(CCCCBr)Nc1cc(Br)c(Br)c(Br)c1 1946445309 LRXKZQKUFCYPRC-UHFFFAOYSA-N 492.831 5.478 50 10 JKGE Cc1cc(Br)c([C@@H](Br)[C@H]2C[C@H](Br)C2)cc1Br 1991429168 GPANRUZZNCFRKH-UBJUHAIHSA-N 475.844 6.130 50 10 JKGE Cl[C@H](c1cccc(I)c1)c1cc(C2CC2)c(Br)s1 2033631742 GNXSSNFRWIMULK-CYBMUJFWSA-N 453.570 6.321 50 10 JKGE Cc1c(Br)sc([C@H](Br)[C@H]2CC23CCCCC3)c1Br 2039005325 HOROWUDRZHNGAN-MWLCHTKSSA-N 457.069 6.988 50 10 JKGE FC(F)c1cccc([C@@H](Br)c2cc(Br)sc2Br)c1 2052472334 QZIYAAGOOQOBLH-SNVBAGLBSA-N 460.963 6.695 50 10 JKGE Clc1cccc(Br)c1[C@H](Cl)c1ccc(Br)cc1Br 2083318337 OOXHVVIMJZJJEZ-CYBMUJFWSA-N 473.817 6.956 50 10 JKGE Cc1c(Br)ccc([C@H](Br)[C@H]2C[C@H]2C(F)(F)F)c1Br 2083331533 ADVKDQGSCUGKRA-RNSXUZJQSA-N 450.918 6.154 50 10 JKGE Cc1nc(C[C@@H](Br)c2cc(Br)ccc2Br)sc1C 2085797338 DUAPLWFYQCUEDQ-GFCCVEGCSA-N 454.025 5.964 50 10 JKGE Fc1ccccc1[C@@H](CBr)Cc1c(Br)cccc1Br 2094095559 NNYVHKBGIPYXIV-SNVBAGLBSA-N 450.971 6.072 50 10 JKGE COc1cc(Cl)c([C@H](Br)c2cscc2OCc2ccccc2)cc1OC 2100091997 MNJRLSGKQFZFPW-FQEVSTJZSA-N 453.785 6.482 50 10 JKGE O=C(c1cc(Br)sc1Br)N1[C@H](CBr)C[C@H]2CCC[C@H]21 2108390428 AASZXAFGABKJNI-KHQFGBGNSA-N 472.040 5.051 50 10 JKGE CC(C)CO[C@@H](C)COc1c(Br)cc(Br)cc1CBr 2109218684 FDCQQOZOIXQOKU-JTQLQIEISA-N 459.016 5.546 50 10 JKGE COc1ccc([C@H](Br)c2nn(C)c(Cl)c2Br)cc1Br 2110726937 GTYXXGNHRGLJSU-VIFPVBQESA-N 473.390 5.091 50 10 JKGE Cc1cc(Br)c([C@@H](Br)[C@H]2[C@H]3CCCCC[C@H]32)cc1Br 2110919321 LSHGSKDQYCWCFD-OXUXUCFPSA-N 451.040 6.782 50 10 JKGE CN(c1cc(Br)ccc1CBr)[C@@H]1C[C@@H]2C[C@H](OCc3ccccc3)C[C@H]21 2134012916 DJZBSMUDPRPPKY-LLMJNHHCSA-N 479.256 6.164 50 10 JKGE Cc1cc(Br)c(C)c([C@@H](Br)CC[C@@H]2CCOC2)c1Br 2136369053 ZVKAYQHPOFBPEH-NEPJUHHUSA-N 455.028 6.081 50 10 JKGE Cc1cc(Cl)c(Br)cc1[C@@H](Br)c1c(Br)sc(C)c1C 2137661094 XWYRORZWZNIJMA-CYBMUJFWSA-N 487.482 7.336 50 10 JKGE BrCc1cc(Br)cc(Br)c1OC[C@H]1OCCC12CCC2 2145190600 BHKWRMUDYUGWQX-CYBMUJFWSA-N 469.011 5.445 50 10 JKGE CC1(C)C[C@H](n2c(CCl)nc3cc(I)ccc32)CN(Cc2ccccc2)C1 2146362262 AGSRHLZHJOPXHR-SFHVURJKSA-N 493.820 5.853 50 10 JKGE C[C@@H]1CC[C@H](C(C)(C)Cc2c(Br)cccc2Br)[C@H](Br)C1 2150494088 ONOOYCRUYFEACY-PVXIVEMSSA-N 467.083 6.980 50 10 JKGE COc1cc(C)c(Br)cc1[C@H](Br)c1nn(C)c(Cl)c1Br 2167051052 QTRBJMPRJKEZDB-JTQLQIEISA-N 487.417 5.400 50 10 JKGE C[C@@H]1CN(Cc2ccccc2)C[C@@H]1n1c(CCCl)nc2cc(Cl)c(Br)cc21 2169015306 KJXWXLXHVAQKLS-VLIAUNLRSA-N 467.238 5.927 50 10 JKGE Cc1c(CBr)cc(Cl)cc1S(=O)(=O)N(Cc1ccccc1)CC1CCCC1 2179862151 RXSIFQGGRPHKCS-UHFFFAOYSA-N 470.860 5.924 50 10 JKGE BrCc1ccc(Br)cc1N1C[C@@H]2CCC[C@H](C1)N2Cc1ccccc1 2219219300 LEAAZYNSJBJOMV-BGYRXZFFSA-N 464.245 5.587 50 10 JKGE Cc1cc(Br)c([C@H](Br)[C@H]2CCC[C@@H](F)C2)c(C)c1Br 2227369977 OVTQQRDNIMJZDO-FIXISWKDSA-N 457.019 6.793 50 10 JKGE COc1cc(Br)c([C@H](Br)c2ccccc2I)cc1C 2227713194 HJKDJIHZYGYEKZ-OAHLLOKOSA-N 495.980 5.855 50 10 JKGE Clc1cc(Br)c([C@@H](Br)[C@@H]2[C@H]3[C@H]4CC[C@@H](C4)[C@H]32)c(Cl)c1Cl 2232511565 KOHHDTNVZGZVPD-XDWHSOLQSA-N 459.436 7.137 50 10 JKGE COc1c(C)cc(Br)c(C)c1[C@@H](Br)c1sc(C)cc1Br 2237632988 FZXQOKUEBHHBHT-CYBMUJFWSA-N 483.063 6.691 50 10 JKGE Brc1cc(Br)cc(C[C@H](Br)C2(Br)CCC2)c1 2246001580 GKLQVCLTWDCNME-NSHDSACASA-N 475.844 5.835 50 10 JKGE O=C(c1cc(Br)c(F)cc1Cl)N(Cc1ccccc1)C1(CBr)CCC1 2258087716 JNGJLZBKFVKXEA-UHFFFAOYSA-N 489.610 6.202 50 10 JKGE C[C@@H]([C@@H](Br)c1c(F)cc(Br)c(F)c1Br)C(F)(F)F 2260067154 HKNBUULQXQRASF-CLTAVNFZSA-N 460.860 6.124 50 10 JKGE CC1(C)CC(C)([C@H](Br)c2c(F)cc(Br)c(F)c2Br)C1 2272854817 IGGMPQNTZPJVGB-GFCCVEGCSA-N 460.982 6.752 50 10 JKGE Clc1ccc(Br)cc1[C@@H](Cl)c1cc2sc(Br)cc2s1 2278028029 PUGLLDWWBUXPTK-CYBMUJFWSA-N 457.039 7.469 50 10 JKGE Clc1cc(CN2C[C@H](Br)C[C@@H]3CCCC[C@H]32)ccc1I 2279521121 DKWNLHXRYGRAMM-WOSRLPQWSA-N 468.604 5.473 50 10 JKGE COc1ccc(C=C(C#N)c2nc(-c3cc4cc(Br)ccc4oc3=O)cs2)cc1 2297212669 ZCNHFWJUVAMWPN-UHFFFAOYSA-N 465.328 5.752 50 10 JKGE CCOc1cc(C=C(C#N)c2ccc(C(=O)O)cc2)cc(Cl)c1OCc1cccc([N+](=O)[O-])c1 2297379262 LJABDBZCYXUACF-UHFFFAOYSA-N 478.888 5.988 50 10 JKGE N#CC(=C(C=C(CC(=O)c1ccccc1)c1ccccc1)c1ccccc1)c1ccc([N+](=O)[O-])cc1 2297565298 GEWGYCJSARAGGV-UHFFFAOYSA-N 470.528 7.386 50 10 JKGE CC(C=Cc1ccc2c(c1)OCO2)=NNC(=O)COc1ccc(C(C)(C)CC(C)(C)C)cc1[N+](=O)[O-] 2297624143 HVNMALVLXZRVGD-UHFFFAOYSA-N 495.576 5.622 50 10 JKGE CC[C@@H]1OCC[C@@H]1[C@@H](Br)c1ccc(OCc2ccccc2)cc1Br 2299491437 AIYCTBYUACOLFH-IHPCNDPISA-N 454.202 6.279 50 10 JKGE C[C@]1(C(F)F)C[C@H]1[C@@H](Br)c1cc(Br)ccc1OCc1ccccc1 2299524354 CKUDGKOJUACVSJ-IEZWGBDMSA-N 460.156 6.755 50 10 JKGE ClC[C@H](Br)[C@@H](CCl)OCc1c(Br)cccc1Br 2302101106 IMPIRPZNCMUHOR-WDEREUQCSA-N 469.826 5.338 50 10 JKGE CCOc1cc(C=C(C#N)c2ccc([N+](=O)[O-])cc2)ccc1OCc1cccc2ccccc12 2313540942 FHSGEVQTZYLHLS-UHFFFAOYSA-N 450.494 6.790 50 10 JKGE N#CC(=Cc1ccc(OCc2ccccc2Cl)cc1)C(=O)Nc1cccc(Cl)c1Cl 2313571352 UFNASDLXALLKAZ-UHFFFAOYSA-N 457.744 6.771 50 10 JKGE Cc1cccc(NC(=O)C(C#N)=Cc2cc(Br)ccc2OCc2ccc(Cl)cc2)c1 2313636785 PEFOUCUUFUDXGA-UHFFFAOYSA-N 481.777 6.536 50 10 JKGE Cc1ccc(NC(=O)C(C#N)=Cc2cc(Br)ccc2OCc2ccc(F)cc2)cc1C 2313675553 AHFCWGAVBSOUIE-UHFFFAOYSA-N 479.349 6.330 50 10 JKGE COc1ccc(C=C(C#N)C(=O)Nc2cccc3ccccc23)cc1OCc1ccccc1Cl 2313681269 ZVULODHATWJYJN-UHFFFAOYSA-N 468.940 6.626 50 10 JKGE Brc1ccc(OCc2ccccc2)c([C@@H](Br)[C@@H]2CC[C@H]3C[C@@H]2CO3)c1 2314455083 LTXOXXVMRSYNSX-HVSHLEFESA-N 466.213 6.279 50 10 JKGE N#CC(=Cc1cn(-c2ccccc2)nc1-c1ccncc1)S(=O)(=O)c1ccc(Br)cc1 2314457876 HYEMWCSDUVFIRR-UHFFFAOYSA-N 491.370 5.035 50 10 JKGE CCOC(=O)C(C#N)=Cc1cn(-c2ccccc2)nc1-c1cccc(OCc2ccccc2Cl)c1 2314478681 RAIBMPHOVAOBHQ-UHFFFAOYSA-N 483.955 6.242 50 10 JKGE FCC12CC([C@H](Br)c3cc(Br)ccc3OCc3ccccc3)(CO1)C2 2314493825 FLUYZLQCXSVDRM-XEVCZEQESA-N 470.176 5.983 50 10 JKGE CCCOc1ccccc1C=C(C#N)C(=O)Nc1sc2c(c1C(=O)OC)CC[C@@H](C(C)(C)C)C2 2314774172 WMDPORAZSAVONI-LJQANCHMSA-N 480.630 6.020 50 10 JKGE COc1cc(C=CC(=O)Oc2ccc(C=CC#N)cc2OC)ccc1OCc1ccc(Cl)cc1 2314793815 ZXOWTUMXXMOKGA-UHFFFAOYSA-N 475.928 6.092 50 10 JKGE Clc1ccc(Oc2cc(Br)cc(Br)c2)c(CBr)c1 2316836881 ZXCVXKWMBRVVDN-UHFFFAOYSA-N 455.371 6.552 50 10 JKGE ClCc1cc(Cl)ccc1Oc1cc(Br)cc(I)c1 2316846981 IBVGPOSZVZMKNK-UHFFFAOYSA-N 457.920 6.238 50 10 JKGE CCCCN(C=C(C#N)C(=O)N1CCN(C(c2ccccc2)c2ccccc2)CC1)CCCC 2324605987 GZJAOYCDOCROSH-UHFFFAOYSA-N 458.650 5.230 50 10 JKGE Fc1cc([C@@H](Br)c2cc(Cl)c(Br)s2)c(Cl)cc1Cl 2326684964 HWNPUBKVAOEEJG-SNVBAGLBSA-N 453.385 7.094 50 10 JKGE Cc1c(Br)sc([C@H](Br)[C@H]2C[C@@H](C(F)(F)F)C2)c1Br 2327681361 KPFJHDWLULDOOK-GKROBHDKSA-N 470.974 6.606 50 10 JKGE COc1ccc(F)cc1-c1cc(C)ccc1NC(=O)C(C#N)=Cc1ccc(Br)cc1 2329662939 UCHXEZABKXDMPU-UHFFFAOYSA-N 465.322 6.118 50 10 JKGE COc1cc(C=C(C#N)c2nc3ccccc3s2)ccc1OCc1c(Cl)cccc1Cl 2331025513 FKXDKDPTXAWSFK-UHFFFAOYSA-N 467.377 7.255 50 10 JKGE COc1cc2nc(C(C#N)=Cc3ccccc3OCc3ccc(Cl)cc3)nc(O)c2cc1OC 2331042539 JXUUXHWHZFHENO-UHFFFAOYSA-N 473.916 5.649 50 10 JKGE CCc1cccc(C)c1N1C[C@H](C(O)=C(C#N)c2nc(-c3cccc(Cl)c3)cs2)CC1=O 2331294056 LCAREJRPUBGMMZ-GOSISDBHSA-N 463.990 6.180 50 10 JKGE N#CC(=C(O)CCc1nc2ccccc2[nH]c1=O)c1nc(-c2cccc3ccccc23)cs1 2331339646 WDBNCFLFABOZQU-UHFFFAOYSA-N 450.523 5.625 50 10 JKGE CC[C@@H](C)[C@@H](C(O)=C(C#N)c1nc(-c2ccc(F)cc2)cs1)N1C(=O)c2ccccc2C1=O 2331344414 LFBBLLMJLNCFND-SZNDQCEHSA-N 461.518 5.453 50 10 JKGE CCCCCCCOc1ccc(-c2csc(C(C#N)=C(O)CCCOc3ccc(C)cc3)n2)cc1 2331345358 GLCDLTYXZAXEBF-UHFFFAOYSA-N 490.669 8.120 50 10 JKGE CCOc1ccc(OCC)c(-c2csc(C(C#N)=C(O)c3cccc(OCC(C)C)c3)n2)c1 2331376795 XGADNZUBHBFOOA-UHFFFAOYSA-N 464.587 6.592 50 10 JKGE COc1cc(OC)c(-c2csc(C(C#N)=C(O)CNC(=O)c3ccc(Cl)cc3)n2)cc1Cl 2331377488 DLRAEANECGYLRJ-UHFFFAOYSA-N 490.368 5.357 50 10 JKGE COc1ccc(-c2csc(C(C#N)=C(O)C=Cc3ccc(OC)c(OC)c3)n2)c(OC)c1 2331385538 MMUBXRLAMVGUPH-UHFFFAOYSA-N 450.516 5.351 50 10 JKGE CCOc1ccc(-c2csc(C(C#N)=C(O)c3ccc(Cl)c([N+](=O)[O-])c3)n2)c(OCC)c1 2331389110 SLAGSCORTSQPGG-UHFFFAOYSA-N 471.922 6.119 50 10 JKGE CCCCCCOc1ccc(C=C(C#N)c2nc(-c3ccc(-c4ccccc4)cc3)cs2)cc1OC 2331414306 VGWQGBMPFRVIGG-UHFFFAOYSA-N 494.660 8.509 50 10 JKGE CCCOc1ccc(-c2csc(C(C#N)=Cc3ccc(N(CC)Cc4ccccc4)cc3)n2)cc1 2331445387 QGJMKWYMBXFJEQ-UHFFFAOYSA-N 479.649 7.690 50 10 JKGE COc1cccc([C@@H](Cl)c2cc(Br)ccc2OCc2ccccc2)c1Cl 2336080211 JKXZIMRVKGEPEB-HXUWFJFHSA-N 452.175 7.018 50 10 JKGE Fc1c(Br)cc(Cl)c([C@H](Br)c2cccc(Cl)c2)c1Br 2337091599 CXIQNBDWDVPNTL-LLVKDONJSA-N 491.807 7.142 50 10 JKGE Cc1cc(Br)c(F)c(Br)c1[C@@H](Br)[C@](C)(F)C(C)(C)F 2339655137 CUQRPHWYLTZTET-YPMHNXCESA-N 466.961 6.571 50 10 JKGE Clc1cccc(C(CBr)(CBr)Cc2nc(Br)cs2)c1 2342921996 OVHHGZIXKZILSA-UHFFFAOYSA-N 488.470 5.829 50 10 JKGE BrC[C@@]1(Cc2ccc(I)c(Br)c2)CCC=CCCC1 2349850982 JJAPHZBLUVUHEM-INIZCTEOSA-N 498.040 6.498 50 10 JKGE Cc1cc(CCl)nc(OCc2ccc(I)c(Br)c2)c1 2350076370 DYLCPRCCILFKMW-UHFFFAOYSA-N 452.517 5.075 50 10 JKGE CCc1cc(Br)c(OC)c([C@H](Cl)c2sccc2I)c1 2353034725 XOMRTWXDYOEKLF-LBPRGKRZSA-N 471.585 6.014 50 10 JKGE Fc1ccc(Cl)c([C@H](Br)c2c(F)cc(Cl)c(Br)c2Cl)c1 2360492799 NLKVJYSTOOVRPB-NSHDSACASA-N 465.346 7.172 50 10 JKGE O=S1(=O)CCC[C@@H]([C@H](Cl)c2c(Cl)cc(Br)c(F)c2Br)C1 2362228734 PAEASOXAHDUNQH-KBUNVGBDSA-N 468.997 5.109 50 10 JKGE Cc1ccc([C@H](Br)c2c(Cl)cc(Br)c(F)c2Br)c(C)c1 2362229703 LRNUDCGWJXDDRN-ZDUSSCGKSA-N 485.416 7.105 50 10 JKGE C=CC[C@@]1(CBr)CCCCN1Cc1ccc(Cl)c(I)c1 2362376523 VYNRKNAZEVUUTE-INIZCTEOSA-N 468.604 5.640 50 10 JKGE Cc1cc(Br)c(F)c(Br)c1[C@@H](Br)[C@@H](C)c1ccccc1 2365181263 VFBYFHCWRBDWKV-HZMBPMFUSA-N 464.998 6.899 50 10 JKGE CC(C)CO[C@@H]1[C@@H](Br)C[C@H]1OCc1c(Br)cccc1Br 2366185342 ULWLTKPHVRCNLA-RRFJBIMHSA-N 471.027 5.305 50 10 JKGE CCC(CC)(CBr)CN1C[C@H]2CC(F)(F)CC[C@@]2(NC(=O)OC(C)(C)C)C1 2370175592 RGQGDDPJQQJUHS-DNVCBOLYSA-N 453.412 5.202 50 10 JKGE CC(C)[C@H](Br)C(C)(C)CN(C)Cc1cc(I)ccc1Cl 2380515640 RXJOPLSMEXQUBP-HNNXBMFYSA-N 472.636 5.822 50 10 JKGE C/C(=N\NC(=O)[C@@H]1C[C@@H]1c1ccc(C(C)(C)C)cc1)c1cccc(NC(=O)c2ccccc2F)c1 20157914 FWPPNHQXHLKRAG-GOHBIUKSSA-N 471.576 6.019 50 10 JKGE N#C/C(=C(/Nc1ccccc1F)SCc1c(F)cccc1Cl)S(=O)(=O)c1ccccc1 20324995 XCZIRDOYABXXLW-QURGRASLSA-N 476.957 6.130 50 10 JKGE COc1cc(/C=C(/C#N)c2ccc(Cl)cc2)ccc1OC(=O)c1ccccc1Br 33377663 UDCVNEOMVLHUHR-ATVHPVEESA-N 468.734 6.394 50 10 JKGE N#C/C(=C/c1cc([N+](=O)[O-])ccc1OCC(=O)Nc1ccccc1)c1nc2ccccc2s1 35519574 KIGOJXGPJHSAIS-ATVHPVEESA-N 456.483 5.286 50 10 JKGE CCOc1cc(/C=C2/C(=O)N(Cc3ccccc3)C(=O)C(C#N)=C2C)ccc1OCc1ccc(C)cc1 38606012 OTCDPXCRMPOXFO-WGOQTCKBSA-N 492.575 5.765 50 10 JKGE COc1ccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)Cc4cccc5ccccc45)ccc32)cc1OC 38658550 SGYTVQBBLKXKDZ-GDLZYMKVSA-N 492.531 5.223 50 10 JKGE Cc1ccc(OCC(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@@H]3c2c(F)cccc2Cl)cc1C 38680527 XHWXLAMWKKQFKE-XMMPIXPASA-N 478.907 5.299 50 10 JKGE Cc1cccc(NC(=S)NNC(=O)c2ccc(-c3ccc(Cl)c(C(F)(F)F)c3)o2)c1 39892535 HOUNBGUOQMCXRB-UHFFFAOYSA-N 453.873 5.559 50 10 JKGE CCOc1cc(/C=C(\C#N)C(=O)NCc2ccco2)ccc1OC(=O)COc1cccc(C(C)C)c1 40934851 RMIPSAZABUAFPQ-LPYMAVHISA-N 488.540 5.009 50 10 JKGE CCCOc1ccccc1/C=C(\C#N)C(=O)Oc1ccc(C(=O)Nc2ccc(C)cc2C)cc1 40949063 USLSULPWVSASAZ-HAVVHWLPSA-N 454.526 5.857 50 10 JKGE COc1cc(/C=N/NC(=O)[C@H](C)Oc2ccc(C(C)(C)C)cc2)ccc1OCc1ccc(C)cc1 40961464 JLLBEDGTDQCSCZ-SHEHFHRDSA-N 474.601 5.798 50 10 JKGE Cc1ccc(C)c(OCCCC(C)(C)C(=O)NNC(=O)[C@H](C)Oc2ccc3ccccc3c2)c1 66201479 BXVXUBPUIQCCQW-NRFANRHFSA-N 462.590 5.257 50 10 JKGE Cc1cc([C@H](Br)c2ccc(Br)cc2Cl)c(C)cc1Br 70472198 NAVMNMQDMCXGSZ-OAHLLOKOSA-N 467.426 6.966 50 10 JKGE O=C(N/C(=C/Cl)[P+](c1ccccc1)(c1ccccc1)c1ccccc1)c1ccc(Cl)cc1 100470407 CHFOKCBDGVOCPC-QOMWVZHYSA-O 477.351 6.102 50 10 JKGE COc1cc(Br)c([C@@H](Br)c2ccc(Br)cc2F)cc1OC 109860431 PGSODJSRVJPGIZ-HNNXBMFYSA-N 482.969 5.852 50 10 JKGE ClCc1nc2cc(Cl)c(Cl)cc2n1-c1cc(Br)ccc1Br 123092425 GZOKMUUZUQQTIY-UHFFFAOYSA-N 469.391 6.596 50 10 JKGE Cl[C@@H](c1cc(Br)c(Br)s1)c1ccccc1I 128097551 HNYIXSITTBMTEV-SNVBAGLBSA-N 492.401 6.206 50 10 JKGE Fc1ccc([C@H](Br)c2cc(Br)c(Br)s2)cc1C(F)(F)F 128291084 GPBUDNDHQWWSOL-JTQLQIEISA-N 496.943 6.915 50 10 JKGE Cc1cc(Br)c([C@H](Cl)c2cccc(Br)c2)cc1Br 128696459 IMJUMIAVMPRQDN-CQSZACIVSA-N 453.399 6.611 50 10 JKGE CCOc1ccc(Br)cc1[C@@H](Br)c1cc(C)cc(Br)c1 131992619 CJMSLSBZCZATQR-INIZCTEOSA-N 463.007 6.403 50 10 JKGE O=S(=O)(c1c(Cl)cc(Br)cc1Cl)N1CCC[C@@H]1CCCBr 147731451 URYBEFSQOBEIDF-JTQLQIEISA-N 480.049 5.084 50 10 JKGE Cc1ccc(OCC(=O)Oc2ccc(/C=C(/C#N)C(=O)NCc3ccco3)cc2)c(C(C)(C)C)c1 206734137 MYBDBMJKIJJKPK-QNGOZBTKSA-N 472.541 5.093 50 10 JKGE N#C/C(=C/c1ccc(-c2cccc(C(F)(F)F)c2)o1)C(=O)Nc1ccccc1C(F)(F)F 209390065 AEHNEXLUDOCMMU-KAMYIIQDSA-N 450.338 6.530 50 10 JKGE CCOc1ccc(CCN/C=C(/C#N)C(=O)NC2CCCCCCCCCCC2)cc1OCC 217259985 OLRDJMCTVRPDRQ-GYHWCHFESA-N 469.670 5.813 50 10 JKGE COc1cc(Cl)c([C@H](Br)c2cccc(Br)c2Cl)cc1OC 228452627 VSXPVPINUQGEFZ-CQSZACIVSA-N 454.973 6.257 50 10 JKGE CCCOc1ccc([C@H](Br)c2cccc(F)c2Br)cc1Br 229006922 PRELMNAVHGGTIT-HNNXBMFYSA-N 480.997 6.624 50 10 JKGE CCOc1ccc([C@H](Cl)c2cc(Br)sc2Br)c(Br)c1 233801948 DIPDRPKPFNRQAQ-LBPRGKRZSA-N 489.454 6.763 50 10 JKGE FC(F)(F)COCCOc1c(Br)cc(CBr)cc1Br 236117289 MKGZZOSRQIBUJN-UHFFFAOYSA-N 470.905 5.064 50 10 JKGE CCOc1ccc(-c2cc(C(=O)NN=Cc3ccc(OC)cc3OC)c3ccccc3n2)cc1 252629599 UJTNRNPOBGWTDG-UHFFFAOYSA-N 455.514 5.082 50 10 JKGE O=C(NN=Cc1ccc(-c2cccc(C(F)(F)F)c2)o1)C(O)(c1ccccc1)c1ccccc1 254520331 DLBCMBVAVVOWPZ-UHFFFAOYSA-N 464.443 5.352 50 10 JKGE COc1ccc(OC)c(C=NNC(=O)CSc2nnc(-c3ccc(C)cc3)n2C2CCCCC2)c1 254878038 SZUQNAGEQMIPCD-UHFFFAOYSA-N 493.633 5.018 50 10 JKGE CCCCCOc1ccc(C=NNC(=O)CSc2nnc(-c3ccccc3)s2)cc1OC 256028294 DJWIFOQIPBVYSP-UHFFFAOYSA-N 470.620 5.025 50 10 JKGE Clc1ccc([C@@H](Br)c2cc(I)cc3c2OCC3)s1 310884372 VWKGLTVTFNYPJA-LBPRGKRZSA-N 455.542 5.425 50 10 JKGE ClCc1nc2c(Br)cccc2n1-c1ccc(Cl)cc1I 312911068 KUDHNQSWQBJATR-UHFFFAOYSA-N 481.946 5.785 50 10 JKGE Cc1ccc([C@H](Br)c2c(C)cc(C)c(Br)c2C)cc1Br 380062547 VUTOPDAXZOSLKU-KRWDZBQOSA-N 461.035 6.930 50 10 JKGE Cc1cccc([C@@H](Br)c2cc(F)c(F)c(F)c2F)c1I 395613330 LDSPYDPKRSYPFQ-SNVBAGLBSA-N 459.018 5.640 50 10 JKGE Fc1ccc([C@H](Cl)c2cc(Br)sc2Br)c(F)c1Br 691585286 HRDVNMJWWZATQL-VIFPVBQESA-N 481.381 6.642 50 10 JKGE CC1(C)COc2c([C@@H](Br)c3ccsc3Br)cc(Br)cc21 705134851 YXIFSVKXVVJFSU-LBPRGKRZSA-N 481.047 6.427 50 10 JKGE Fc1cc(Br)cc(CBr)c1OCc1ccc(Br)cn1 715810404 ASGHYXYTBUXSDX-UHFFFAOYSA-N 453.931 5.220 50 10 JKGE CN(Cc1ccccc1)[C@@H](Cn1c(CCl)nc2cc(F)c(Br)cc21)C1CC1 717998836 USDVPQGKLBSDEZ-FQEVSTJZSA-N 450.783 5.587 50 10 JKGE CC1(C)[C@@H](n2c(CCl)nc3cc(Br)c(F)cc32)C[C@H]1OCc1ccccc1 718077960 LMHKXCZCJUYCPZ-RBUKOAKNSA-N 451.767 6.233 50 10 JKGE C=CCc1cc(C=NNC(=O)c2ccc(-n3c(C)ccc3-c3ccccc3)cc2)cc(OCC)c1O 1083872381 WZXFKZIVFBDOIE-UHFFFAOYSA-N 479.580 6.049 50 10 JKGE CO[C@H](C(=O)NN=Cc1c(Br)c(C)n(-c2c(C)cccc2C)c1C)c1ccccc1 1083940022 GKWFLXKUEMLGET-QHCPKHFHSA-N 468.395 5.311 50 10 JKGE COc1ccc(COC(=O)NN=C2C(=O)N(Cc3cccc4ccccc34)c3ccccc32)cc1 1083952489 YDQCBYDSWSMQTH-UHFFFAOYSA-N 465.509 5.026 50 10 JKGE C=CCc1cc(/C=C(\C#N)C(=O)Nc2cccc(Cl)c2Cl)ccc1OCc1ccccc1F 1083986958 PSTHVKSJFYMFNG-XSFVSMFZSA-N 481.354 6.986 50 10 JKGE N#C/C(=C/c1ccc(OCc2ccccc2Cl)c(Br)c1)C(=O)Nc1ccc(F)cc1 1084098907 ZGKDZCNNOVNNJE-BOPFTXTBSA-N 485.740 6.366 50 10 JKGE CCOc1cc(C=NNC(=O)c2ccccc2-n2cccc2)ccc1OCc1ccccc1Cl 1084591966 RRIMYBLBKDKOOE-UHFFFAOYSA-N 473.960 5.872 50 10 JKGE Cc1cc(C(=O)O)ccc1-n1c(C)cc(/C=C(\C#N)C(=O)Nc2cccc(Cl)c2Cl)c1C 1084599430 ILKYICZBNZDWQC-WOJGMQOQSA-N 468.340 5.953 50 10 JKGE Cc1cc(C)c2c(CC(=O)NN=C3CCCc4oc(C(=O)Nc5ncccc5C)c(C)c43)coc2c1 1772751681 JOPXXGOGAQBBKX-UHFFFAOYSA-N 484.556 5.306 50 10 JKGE Cc1cc(C)c2c(CC(=O)NN=C3CCCc4oc(C(=O)Nc5ccccc5)c(C)c43)coc2c1 1772752120 URMVGZKMHFSOJJ-UHFFFAOYSA-N 469.541 5.603 50 10 JKGE CCCc1nn(Cc2ccc(Cl)cc2)c2c1[C@@H](c1cccc(Br)c1)C(C#N)=C(N)O2 1865683812 ISYSVLYAGVYPGW-FQEVSTJZSA-N 483.797 5.518 50 10 JKGE COc1ccc(-c2nn(C)c3c2[C@@H](c2ccc(OCc4ccc(C)cc4)cc2)C(C#N)=C(N)O3)cc1 1865692089 ALYOTWXQLZGHGS-VWLOTQADSA-N 478.552 5.201 50 10 JKGE CCn1nc(-c2ccccc2)c2c1OC(N)=C(C#N)[C@H]2c1ccc(OCc2ccccc2Cl)cc1 1865704079 MLNPDDFZPZVTHW-XMMPIXPASA-N 482.971 6.021 50 10 JKGE Cc1ccc(Cn2nc(C(F)(F)F)c3c2OC(N)=C(C#N)[C@@H]3c2ccc(Cl)c([N+](=O)[O-])c2)cc1 1865706306 SQMXYCLWPYLLQN-KRWDZBQOSA-N 489.841 5.038 50 10 JKGE COc1ccc([C@@H]2C(C#N)=C(N)Oc3c2c(C(F)(F)F)nn3-c2ccc(Cl)c(Cl)c2)cc1 1865713107 QXTBBAPCHKVYQA-MRXNPFEDSA-N 481.261 5.425 50 10 JKGE Cc1nc(-c2ccc(Cl)cc2Cl)ccc1C(=O)N/N=C\c1ccc(F)c(Br)c1 1865760779 OKRJCLIHSRGNQH-MRUKODCESA-N 481.152 6.029 50 10 JKGE Cc1ccc(-c2ccc(C(=O)N/N=C\c3cc(Cl)cc(Br)c3O)c(C)n2)cc1C 1865761663 PMBURXLSEPZNNR-GATIEOLUSA-N 472.770 5.559 50 10 JKGE C/C(=N\NC(=O)c1ccc(-c2ccc(Cl)c(Cl)c2)nc1C)c1ccc2c(c1)CCCC2 1865763557 RAQQZOYGWYEFQZ-WKULSOCRSA-N 452.385 6.397 50 10 JKGE Cc1ccc([C@H](CC(=O)N[C@H](C(=O)Nc2ccc(SC#N)cc2)c2ccccc2)C2CC2)cc1C 1866722963 AXWGZNTYRSBCCE-IAPPQJPRSA-N 483.637 6.257 50 10 JKGE CC[C@](C)(NC(=O)[C@H](c1ccc(Br)cc1)C(C)C)C(=O)Nc1ccc(SC#N)cc1 1866975108 VXJDTYUDYXKDOA-REWPJTCUSA-N 488.451 5.685 50 10 JKGE CCCC[C@@H](NC(=O)[C@H](c1ccc(OC)cc1)C(C)C)C(=O)Nc1ccc(SC#N)cc1 1866979574 KAQUNYZLGIFQAT-PKTZIBPZSA-N 453.608 5.322 50 10 JKGE O=C(Oc1ccc2c(=O)c(-c3ccc(Cl)cc3)c(C(F)(F)F)oc2c1)C(Cl)Cl 1871385092 FOOPLIUGYQIDRQ-UHFFFAOYSA-N 451.611 5.841 50 10 JKGE COc1ccc(/C=C(\C#N)c2ccc(Cl)cc2F)cc1OCc1ccc(Cl)c(Cl)c1 1872729534 PMNYXVNHOHBLJN-LZYBPNLTSA-N 462.735 7.438 50 10 JKGE Cc1ccc(S(=O)(=O)NC/C(O)=C(\C#N)c2nc(-c3ccc(Cl)cc3Cl)cs2)cc1 1872744878 MPBFCWZITKBCMC-MNDPQUGUSA-N 480.398 5.197 50 10 JKGE COc1ccc(OCCC/C(O)=C(\C#N)c2nc(-c3ccc(Br)cc3)cs2)cc1 1872746273 AJGRMRFTCCLBEN-VZCXRCSSSA-N 471.376 6.233 50 10 JKGE CCCCc1ccc(N2C[C@H](/C(O)=C(\C#N)c3nc(-c4ccccc4Cl)cs3)CC2=O)cc1 1872746801 YUHDKEQHBZPBBZ-PAEYTKSYSA-N 478.017 6.652 50 10 JKGE CCOc1ccc(-c2csc(/C(C#N)=C(\O)c3cc(OC)c(OC)cc3[N+](=O)[O-])n2)cc1 1872747559 IRPOAUIUAMGTTH-PGMHBOJBSA-N 453.476 5.084 50 10 JKGE COc1cccc(OC)c1/C(O)=C(\C#N)c1nc(-c2ccc(Oc3ccccc3)cc2)cs1 1872753965 WLBZWVPPOQQVBO-QQTULTPQSA-N 456.523 6.569 50 10 JKGE CCCCC1CCC(/C(O)=C(\C#N)c2nc(-c3cc(Cl)c(OC)c(Cl)c3)cs2)CC1 1872755819 HTTIWLIJACICET-FXBPSFAMSA-N 465.446 7.915 50 10 JKGE Cc1cc(-c2csc(/C(C#N)=C/c3ccc(OCc4ccc(Cl)cc4Cl)cc3)n2)ccc1F 1872790872 JATDSJKPCYZOBC-RGVLZGJSSA-N 495.406 8.208 50 10 JKGE CCCOc1ccc(-c2csc(/C(C#N)=C/c3ccc(OCc4ccc(Cl)cc4)cc3)n2)cc1 1872791047 SXWZLCANQLVCQG-XQNSMLJCSA-N 487.024 7.895 50 10 JKGE FC(F)(CBr)[C@@H]1CCN(Cc2cc(Br)ccc2Br)C1 1892701763 YYBQRQMEKAVPKJ-SNVBAGLBSA-N 461.970 5.064 50 10 JKGE COc1cc(C)c([C@H](Br)c2cccc(I)c2)cc1Br 1901651060 AXCCJLONXMGREH-OAHLLOKOSA-N 495.980 5.855 50 10 JKGE Brc1cccc(CN2[C@H]3CCC[C@H]2CC(Br)C3)c1Br 1922746596 WINDNWFSQPGYHX-STQMWFEESA-N 452.028 5.492 50 10 JKGE FC(F)(F)C1([C@H](Br)c2sc(Br)cc2Br)CCC1 1922883277 JNIOHTMURWNWOE-MRVPVSSYSA-N 456.947 6.442 50 10 JKGE Brc1cc(Br)c([C@H](Br)c2ccc(C3CC3)cc2)s1 1922906011 FNAIMWRGXWRLNT-CYBMUJFWSA-N 451.021 6.635 50 10 JKGE CC(C)(C)C1CCC([C@@H](Br)c2sc(Br)cc2Br)CC1 1922954315 MVZOVZQPCONJQD-SRHKJQAYSA-N 473.112 7.562 50 10 JKGE Cc1c(Br)sc([C@@H](Br)Cc2ccc(Cl)cc2)c1Br 1922955314 YGIFRKDONAFBHA-JTQLQIEISA-N 473.455 6.914 50 10 JKGE Clc1c(Br)sc(Br)c1[C@H](Br)[C@@H]1CCC[C@@H]2C[C@H]21 1923038811 KYLBOGSRHYUQEQ-JXOAFFINSA-N 463.460 6.799 50 10 JKGE Cc1cc([C@@H](Br)c2c(Br)sc(Br)c2Cl)ccc1F 1923041216 ZPPJNCWQARLMGT-SECBINFHSA-N 477.418 6.858 50 10 JKGE Cn1ncc(Cl)c1[C@@H](Cl)c1c(Br)sc(Br)c1Br 1924607969 BMUHIEZSGGSVHB-LURJTMIESA-N 483.838 5.751 50 10 JKGE Brc1cc2c(cc1[C@@H](Br)c1csnc1Br)CCO2 1925265489 XIVZCRSDWUAZDB-LLVKDONJSA-N 453.981 5.087 50 10 JKGE Clc1c(Br)sc(Br)c1[C@@H](Br)C12CC(CO1)C2 1989832349 ISFANLWFBRZCHY-POUYQYJTSA-N 451.405 5.542 50 10 JKGE Cc1c([C@@H](Cl)c2cc(Br)c(Br)s2)c(Br)nn1C 2014559865 GMVPJSMIBCJCIR-QMMMGPOBSA-N 463.420 5.406 50 10 JKGE FC1(F)CC2(CC([C@@H](Br)c3sc(Br)cc3Br)C2)C1 2040962718 RFJWVKJVDLOFTO-SECBINFHSA-N 464.995 6.535 50 10 JKGE CN(C[C@@H]1C[C@@H]1Br)C(=O)c1cc(Cl)c(NC(=O)OC(C)(C)C)c(Cl)c1 2076220168 IVAQRBAFFXLGFR-QWRGUYRKSA-N 452.176 5.196 50 10 JKGE CC(C)(C)OC(=O)NC[C@](C)(CI)OC[C@@H]1C[C@H]1C1CCCCCC1 2080295925 BETOVFKWLTVDRK-ZWOKBUDYSA-N 465.416 5.328 50 10 JKGE Fc1cc(Br)c([C@H](Br)c2ccsc2Br)c(F)c1Cl 2081837508 AXYKIRWPSWAWSV-MRVPVSSYSA-N 481.381 6.689 50 10 JKGE Fc1cc(Cl)c([C@H](Cl)c2scc(Br)c2Br)cc1Cl 2083770705 MTSJGKHFRYLDPB-JTQLQIEISA-N 453.385 7.047 50 10 JKGE COc1ccc([C@@H](Br)c2cccc(Br)c2Br)c(Cl)c1 2092329576 YAWJXQCESHXIDM-CYBMUJFWSA-N 469.398 6.358 50 10 JKGE C[C@H]1CCC[C@@](CBr)(NC(=O)c2csc(Br)c2Br)C1 2093944594 MQIMUZFAWHHZJF-ISVAXAHUSA-N 474.056 5.347 50 10 JKGE COc1ccc([C@@H](Cl)c2c(Br)cccc2Br)c(Br)c1 2094091193 QAPQIYPRPWJTIU-CQSZACIVSA-N 469.398 6.311 50 10 JKGE FC1(F)CCC[C@@H](Oc2c(Br)cc(CBr)cc2Br)C1 2107516983 BOFPWZULPTTWCH-SECBINFHSA-N 462.954 6.063 50 10 JKGE C[C@@H](c1ccncc1Br)[C@@H](Br)c1nn(C)c(Cl)c1Br 2110717361 HFNHWZBLRFLQFS-IMTBSYHQSA-N 472.406 5.233 50 10 JKGE Clc1cccc(C(CBr)(CBr)Cc2cnsc2Br)c1 2119234072 MQDMYBRLZGINLA-UHFFFAOYSA-N 488.470 5.829 50 10 JKGE O=S(=O)(c1cc(Cl)cc(CBr)c1F)N(Cc1ccccc1)C1CCCC1 2123271152 QCWDADHOLKFSQQ-UHFFFAOYSA-N 460.796 5.508 50 10 JKGE BrCc1cc(Br)c(OCC[C@]23CCC[C@@H]2C3)c(Br)c1 2125598325 NGFWBCKKJNYHID-ABAIWWIYSA-N 453.012 6.066 50 10 JKGE Cc1cc(Cl)c(Br)cc1[C@@H](Br)c1ccc(Cl)c(Br)c1 2137643473 SGHLYNOIXYEKRK-AWEZNQCLSA-N 487.844 7.311 50 10 JKGE Cc1sc(Br)c([C@H](Br)Cc2ccc(Br)cc2F)c1C 2138257986 LTJNTNFABXRBHW-LLVKDONJSA-N 471.027 6.708 50 10 JKGE Cc1ccc(Cl)cc1[C@H](Br)c1ccc(Br)c(C)c1Br 2138853828 RKDCWJHLJQOJRO-OAHLLOKOSA-N 467.426 6.966 50 10 JKGE CCn1cc(Br)c([C@H](Cl)c2ccc(Br)c(C)c2Br)n1 2138861458 GQESXHLMAJMPJM-GFCCVEGCSA-N 471.418 5.827 50 10 JKGE Fc1cc(Cl)c([C@@H](Br)c2cc(Br)ccc2Br)cc1Cl 2139426835 QXAYYFNURQIQSQ-ZDUSSCGKSA-N 491.807 7.142 50 10 JKGE COc1cc(F)c(F)cc1[C@@H](Br)c1csc(Br)c1Br 2139623284 HCSUXIHRFIGZMD-SNVBAGLBSA-N 476.962 6.044 50 10 JKGE Cl[C@@H](c1c(Br)sc(Br)c1Br)[C@H]1C[C@H]2COC[C@H](C2)C1 2141803852 UWLVCABSWUEREX-FBSDJGSXSA-N 493.486 6.378 50 10 JKGE COc1cc(Br)c(C)cc1[C@@H](Br)c1cc(Br)ccc1F 2145958107 SUFRFQCBWMMHFY-HNNXBMFYSA-N 466.970 6.152 50 10 JKGE Brc1cccc([C@@H](Br)Cc2nc3ccccc3o2)c1Br 2148762106 UPEGSXUXSLKPTJ-NSHDSACASA-N 459.963 6.032 50 10 JKGE O=C(NC[C@H]1CCCC[C@H]1CBr)c1c(Br)cccc1Br 2150491683 RPCNFIHTANAWGD-WDEREUQCSA-N 468.027 5.143 50 10 JKGE CC(C)(C)[C@@]1(CBr)CCN(Cc2c(Br)cccc2Br)C1 2160929870 BLSRTBUEORQXCP-MRXNPFEDSA-N 468.071 5.845 50 10 JKGE F[C@@H](C(F)(F)F)C(F)(F)Oc1c(Br)cc(CCl)cc1Br 2175180544 CXFRJDDKZPLCKF-QMMMGPOBSA-N 450.398 5.822 50 10 JKGE Cc1nn(C)c(Br)c1COc1c(Br)cc(CCl)cc1Br 2185794901 OGJFWVYSTOYWLK-UHFFFAOYSA-N 487.417 5.334 50 10 JKGE C[C@](CI)(OC[C@@](C)(F)C(F)(F)F)c1ccccc1Br 2191876062 UDGBDNNFPOLANT-VXGBXAGGSA-N 469.054 5.406 50 10 JKGE Cc1cc(Br)c(C)c([C@H](Br)c2cc(F)ccc2Cl)c1Br 2201071578 RMWFGZRBHXEXEH-OAHLLOKOSA-N 485.416 7.105 50 10 JKGE Cc1cc(Br)c(C)c([C@H](Br)C(F)(F)C2CCCC2)c1Br 2201074451 RRFLOMAOWMIXJX-AWEZNQCLSA-N 475.009 7.090 50 10 JKGE Fc1cc(Br)c([C@H](Br)c2cc3sccc3s2)c(F)c1Cl 2201620010 WWDHRLVZIDDSCW-LLVKDONJSA-N 458.574 7.141 50 10 JKGE COc1c(C)cc(Br)cc1[C@H](Br)c1c(C)nn(C)c1Br 2206606854 WAIUKQLJMNCAKP-LBPRGKRZSA-N 466.999 5.055 50 10 JKGE Cc1sc(Br)c(C)c1[C@@H](Br)c1cc(I)sn1 2210565313 UXEGFPUOQOFHFQ-VIFPVBQESA-N 493.027 5.673 50 10 JKGE Fc1cc(Br)c(Br)cc1[C@@H](Br)C(F)(F)CC1CC1 2218598747 WEAOCNASRLKQLZ-LLVKDONJSA-N 450.918 6.222 50 10 JKGE CCOCc1cc(Br)c([C@@H](Cl)c2cccc(F)c2I)s1 2233013062 GBHPRFTXXJSSBI-LBPRGKRZSA-N 489.575 6.119 50 10 JKGE COc1ccc(Br)cc1[C@@H](Br)Cc1ccc(Br)cc1Cl 2237451766 WKHSUHRLCAPSEJ-ZDUSSCGKSA-N 483.425 6.552 50 10 JKGE C[C@](CI)(O[C@@H]1CCCC(F)(F)C1)c1ccccc1Br 2238670806 BECVYKIMZYNMMQ-BXUZGUMPSA-N 459.112 5.694 50 10 JKGE Fc1cc(Br)c(Cl)cc1[C@@H](Br)c1scc(Br)c1Cl 2253605530 WUOJFMFYKXHGQZ-SECBINFHSA-N 497.836 7.203 50 10 JKGE COc1ccc([C@H](Br)c2cocc2Br)c(OC)c1Br 2270464565 PXLWAPAVDOYTEH-NSHDSACASA-N 454.940 5.306 50 10 JKGE CC(C)(C)OC(=O)N1CCC[C@@](CBr)(OCc2c(F)cc(Br)cc2F)C1 2271571157 KFGUJFVEKFVSER-SFHVURJKSA-N 499.190 5.409 50 10 JKGE CC1(C)CO[C@H]([C@@H](Br)c2c(F)cc(Br)c(F)c2Br)C1 2272723372 FWLQDFVULVKGOD-WCBMZHEXSA-N 462.954 5.741 50 10 JKGE C[C@]1([C@@H](Br)c2c(F)cc(Br)c(F)c2Br)CCCCO1 2272844014 BOQGGTPXWQIGSH-QWHCGFSZSA-N 462.954 5.885 50 10 JKGE Cc1cc(C(F)(F)F)sc1[C@H](Cl)c1sc(Br)cc1Br 2277703759 HLUOFWLAODGCTD-QMMMGPOBSA-N 454.558 6.990 50 10 JKGE CCc1nc([C@H](Cl)c2ccc(OC)c(Cl)c2Br)c(Br)s1 2283559816 HJQHQGDDYHQOLV-SNVBAGLBSA-N 460.018 6.221 50 10 JKGE CCOc1ccc(Br)cc1[C@H](Cl)c1ccc(Cl)c(I)c1 2283585865 FNNQPFSKFMGHPA-OAHLLOKOSA-N 485.974 6.434 50 10 JKGE COc1cc(Cl)c([C@H](Br)c2csc(Cl)c2OC)cc1Br 2284307778 BZLKGLMWDFKWTH-NSHDSACASA-N 461.002 6.319 50 10 JKGE CC(C)(C)CCN(CCBr)C(=O)c1ccc(Cl)c(I)c1 2289874598 DGAHOMNSQALYLS-UHFFFAOYSA-N 472.592 5.218 50 10 JKGE COc1cc(C=C(C#N)C(=O)Nc2ccc(Cl)cc2)ccc1OCc1ccc(C(=O)O)cc1 2293656544 ZXQIDGGKRAIFAJ-UHFFFAOYSA-N 462.889 5.171 50 10 JKGE N#CC(=CNc1ccc(Cl)cc1C(=O)c1ccccc1)c1nc(-c2ccc(F)cc2)cs1 2295948619 XDGWJCSBJDXKDZ-UHFFFAOYSA-N 459.933 6.810 50 10 JKGE Cc1ccc(C[C@H]2SC(=C(C#N)C(=O)Nc3ccc(F)cc3)N(c3ccc(F)cc3)C2=O)cc1 2297469113 HVRJDXHLLAPYRT-HSZRJFAPSA-N 475.520 5.338 50 10 JKGE N#CC(=Cc1cn(Cc2ccc([N+](=O)[O-])cc2)c2ccccc12)C(=O)Nc1nc2ccccc2s1 2297500338 GGZVRFPWCNLYFX-UHFFFAOYSA-N 479.521 5.753 50 10 JKGE COc1cc(C=C(C#N)C(=O)Nc2nc3ccccc3s2)ccc1OCc1ccccc1F 2297500365 NBQDMDLHPQVXMR-UHFFFAOYSA-N 459.502 5.569 50 10 JKGE COc1ccc(C=C(C#N)C(=O)Nc2ccc(Cl)cc2)cc1OCc1ccc(Br)cc1 2313630579 CCKNDZMRHLJJMY-UHFFFAOYSA-N 497.776 6.236 50 10 JKGE C[C@@H](NC(=O)C(C#N)=Cc1cc(Br)ccc1OCc1cccc(F)c1)c1ccccc1 2313671202 PXERVMGCPDCAGY-QGZVFWFLSA-N 479.349 5.952 50 10 JKGE C[C@@H]1CC([C@@H](Br)c2cc(Br)ccc2OCc2ccccc2)C[C@@H](C)O1 2314451619 GSNQQTQRJDEXAM-VTJXTGGHSA-N 468.229 6.668 50 10 JKGE Cc1ccc([C@@H](Cl)c2ccc(OCc3ccccc3)cc2Br)c(Br)c1 2314452570 OMURQVWUALRAHK-OAQYLSRUSA-N 480.627 7.427 50 10 JKGE COc1cc(C=C(C#N)c2ccc(Cl)cc2)ccc1OC(=O)[C@@H](C)Oc1ccc(Cl)cc1C 2314720637 VSEZGBYACZDXDH-QGZVFWFLSA-N 482.363 6.748 50 10 JKGE COc1cc(C=C(C#N)C(=O)NCc2ccccc2)ccc1OC(=O)COc1ccccc1C(C)(C)C 2314736897 AGDPFKYIFVNYHN-UHFFFAOYSA-N 498.579 5.200 50 10 JKGE COc1cc(C=C(C#N)c2ccc(Cl)cc2)ccc1OC(=O)CCc1ccc(C(C)(C)C)cc1 2314790171 CXSPNKLRMKZDJP-UHFFFAOYSA-N 474.000 7.248 50 10 JKGE COc1cc(C=C(C#N)c2ccccc2OC)ccc1OC(=O)C=Cc1ccc(Cl)cc1Cl 2320506042 AHBDKWDGGBCMOW-UHFFFAOYSA-N 480.347 6.694 50 10 JKGE CCc1ccc([C@@H](C)NC(=O)C(C#N)=CNc2cc(C(F)(F)F)cc(C(F)(F)F)c2)cc1 2325103831 WUJOWBFKTDQMNK-CYBMUJFWSA-N 455.402 5.983 50 10 JKGE CC(C)(C)c1ccc(C(=O)NCC(O)=C(C#N)c2nc(-c3ccc4c(c3)OCCO4)cs2)cc1 2331330080 SPOMJNPCDCSFSG-UHFFFAOYSA-N 475.570 5.101 50 10 JKGE CCCc1ccc(OCC(O)=C(C#N)c2nc(-c3ccc(Oc4ccccc4)cc3)cs2)cc1 2331358898 BFWJYMXMFZWUCA-UHFFFAOYSA-N 468.578 7.427 50 10 JKGE CCOc1ccc(OCC)c(-c2csc(C(C#N)=C(O)COc3ccc(Cl)c(C)c3)n2)c1 2331376492 JTHMOVXOLCRBCR-UHFFFAOYSA-N 470.978 6.441 50 10 JKGE COc1c(C)cc(Cl)cc1-c1csc(C(C#N)=C(O)[C@@H]2CC(=O)N([C@@H](C)c3ccccc3)C2)n1 2331391907 UDSHSPCUBCCKID-FUHWJXTLSA-N 494.016 6.183 50 10 JKGE COc1cc(OC)c(-c2csc(C(C#N)=Cc3c(OC)ccc4ccccc34)n2)cc1Cl 2331471989 XXGDVWVXBDBEOY-UHFFFAOYSA-N 462.958 6.707 50 10 JKGE CO[C@H]1C[C@H]([C@@H](Br)c2ccc(OCc3ccccc3)cc2Br)C[C@H]1OC 2336041482 ONNQTCNGCSFVGS-HUJKARHJSA-N 484.228 5.904 50 10 JKGE Fc1c(Br)cc(Cl)c([C@H](Br)[C@H]2C[C@]23CC3(F)F)c1Br 2337090815 RSUYJUNUMLPFAI-CPFXQGKDSA-N 483.347 6.485 50 10 JKGE Cc1cc([C@@H](Br)c2c(Br)c(Br)nn2C)c(C)cc1Cl 2338704546 DVTDLLNAEGXIHB-SNVBAGLBSA-N 471.418 5.700 50 10 JKGE CC(C)(C)OC(=O)N1CCC[C@@](CI)(OC[C@H]2C[C@H]3CCC[C@H]2CC3)C1 2338901037 WEJJIIAJIHUQBM-UGNRZPKXSA-N 477.427 5.424 50 10 JKGE Cc1cc(Br)c(F)c(Br)c1[C@@H](Br)[C@@H]1CC[C@@H]2C[C@@H]2C1 2339678822 JDELXUATKDSLHR-PRFIWBCESA-N 455.003 6.531 50 10 JKGE Cc1cc(Br)c(C)c([C@@H](Br)[C@]23COC[C@H]2C3(F)F)c1Br 2357916559 ANHFWMQAHHWWLY-WQAKAFBOSA-N 474.965 5.546 50 10 JKGE Fc1cc(Br)c(F)c(Br)c1[C@H](Br)[C@@H]1[C@@H]2[C@H]1CCC2(F)F 2359721272 QZIDBFPFIUNXIB-REZAYRFHSA-N 480.919 6.217 50 10 JKGE CC[C@@H](CC(F)(F)F)[C@H](Br)c1c(F)cc(Cl)c(Br)c1Cl 2360432491 CSOMMZUADWEVRJ-CDUCUWFYSA-N 460.918 7.310 50 10 JKGE Cc1cc([C@H](Cl)c2c(F)cc(Cl)c(Br)c2Cl)ccc1Br 2360493615 MSQSSRFABWDUAQ-ZDUSSCGKSA-N 461.383 7.294 50 10 JKGE FCC12CC([C@H](Cl)c3c(Cl)cc(Br)c(F)c3Br)(CO1)C2 2362226825 ZUWYBRZFGUGEAN-PNESKVBLSA-N 450.932 5.803 50 10 JKGE Clc1ccc(CN2CCC[C@@H]3CC[C@H](Br)C[C@H]32)cc1I 2362381578 XOMHBPYFNWODHN-DVOMOZLQSA-N 468.604 5.473 50 10 JKGE BrC[C@@]1(Cc2cccc(Br)c2Br)C[C@H]2C=C[C@H]1CCC2 2363969400 CKMFBRJIXYETQN-MRRJBJDNSA-N 463.051 6.512 50 10 JKGE Cc1cc(Br)c(F)c(Br)c1[C@@H](Br)[C@H]1C[C@H](C)O[C@H](C)C1 2365189015 QJZLLDPVDHJGSK-WJZNIJOASA-N 473.018 6.299 50 10 JKGE COc1c(Br)cc(C)c([C@@H](Br)[C@@H]2[C@H]3CCCC[C@H]32)c1Br 2365193711 KGWQGGPKJBQSCU-XXSPCDMZSA-N 467.039 6.401 50 10 JKGE CN(CC[C@H](Br)c1cccs1)Cc1cc(Br)ccc1Br 2366202343 OFMQCRNXLIEYRT-AWEZNQCLSA-N 482.079 6.231 50 10 JKGE FC1(F)[C@@H]2CC(CO[C@@H](CI)c3ccc(Br)cc3)C[C@H]21 2369978330 QIHWCUSTIMGENQ-MCIONIFRSA-N 457.096 5.233 50 10 JKGE Clc1ccc([C@H](CBr)OCc2cc(I)ccc2Cl)cc1 2380352846 FJJYNFCCJDPPFU-HNNXBMFYSA-N 485.974 6.251 50 10 JKGE COc1ccc(C(=O)NCCCCCC(=O)N/N=C/[C@H]2CC=C(CCC=C(C)C)C[C@H]2C)cc1OC 20073038 KIWFYFBGGQHYIT-LYUOKFNOSA-N 497.680 5.815 50 10 JKGE O=C(C=C(Sc1ccccc1)Sc1ccccc1)N/N=C/c1ccc(Br)cc1 21316118 GIXFLQBDKOTJDM-LFVJCYFKSA-N 469.429 6.325 50 10 JKGE N#C/C(=C/c1ccc(-c2ccc(Cl)c([N+](=O)[O-])c2)o1)C(=O)Nc1ccccc1Br 33284872 XQGKQFHEMHHINZ-LCYFTJDESA-N 472.682 5.816 50 10 JKGE Cc1ccc(N(C(=O)CCl)[C@H](C(=O)N[C@@H]2CCCC[C@@H]2C)c2ccccc2Cl)cc1C 33404650 MXBROKXCOQHDBE-YJGRUCBDSA-N 461.433 5.965 50 10 JKGE CCCOc1cccc(C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@H]3c2ccc(Cl)c(Cl)c2)c1 38655997 ZFYADRXQDAXZEJ-DEOSSOPVSA-N 495.362 6.220 50 10 JKGE COc1ccccc1Oc1nc2c(C)cccn2c(=O)c1/C=C(/C#N)C(=O)Nc1cccc(Cl)c1 39858829 GMWOHYCAKPEIPN-LGMDPLHJSA-N 486.915 5.003 50 10 JKGE Cc1cccc(NC(=O)c2oc3c(c2C)/C(=N/NC(=O)c2ccc(-c4ccccc4)cc2)CCC3)c1C 40822576 FYCBPDUTHAKVFQ-MHTZHOPKSA-N 491.591 6.595 50 10 JKGE COc1ccc(/C=N/NC(=O)[C@H](C)Oc2ccc(-c3ccccc3)cc2)cc1Br 40959527 JKEQBVCBIQDIGZ-JZCUADNKSA-N 453.336 5.042 50 10 JKGE CCOc1ccc(NC(=O)/C(C#N)=C/c2cc(OCC)c(OCC)cc2Br)cc1 59297089 ZKOGYEFWBQHLAF-LFIBNONCSA-N 459.340 5.191 50 10 JKGE COc1cc(/C=N/NC(=O)[C@H]2[C@H]3CCCC[C@@]23C)ccc1OCc1ccc(Cl)cc1Cl 59426578 FCIIGKDETAEHNI-VENAWAHTSA-N 461.389 5.857 50 10 JKGE Cc1ccc(N2C(=O)[C@@H](Cc3ccc(Cl)cc3)S/C2=C(/C#N)C(=O)NCc2ccco2)cc1C 101242668 YXGLFPPKRBZYRR-YMGIJWJESA-N 492.000 5.293 50 10 JKGE Cc1ccc(N2C(=O)[C@H](Cc3ccccc3)S/C2=C(/C#N)C(=O)Nc2ccccc2)cc1C 101244786 GRHRKXNUXKZPKQ-FYAMCCBRSA-N 453.567 5.368 50 10 JKGE COc1c(Br)cc(Cl)cc1[C@H](Br)c1sccc1Br 111536158 PCJZWVLAVCFEBA-JTQLQIEISA-N 475.427 6.419 50 10 JKGE Br[C@H](c1ccc(Oc2ccccc2)cc1)c1csc(I)c1 124408531 ALLRYVQCVJKZMB-QGZVFWFLSA-N 471.157 6.629 50 10 JKGE Fc1cc(Br)cc([C@H](Cl)c2cc(Br)c(Br)s2)c1 128130079 YSMODBSPBVXGIA-JTQLQIEISA-N 463.391 6.503 50 10 JKGE CCCCCCCOc1ccc(/C=C2\C(=O)N(CCCOC(C)C)C(=O)C(C#N)=C2C)cc1 214308827 SWSVHCYRMJKVDP-MOHJPFBDSA-N 452.595 5.443 50 10 JKGE CN1CCN(c2ccc(N/C=C(/C#N)C(=O)NC3CCCCCCCCCCC3)cc2)CC1 217259938 LLCGHPUYWZYGRV-FCQUAONHSA-N 451.659 5.047 50 10 JKGE Fc1ccc(Br)c([C@H](Br)c2cc(Br)c(Cl)s2)c1 227846817 WCFCRJXKGZRQDD-JTQLQIEISA-N 463.391 6.550 50 10 JKGE COc1cc(F)c([C@@H](Br)c2ccc(F)cc2I)c(F)c1 234989997 LJUHMYSJXLCPOL-AWEZNQCLSA-N 457.027 5.201 50 10 JKGE Cc1nn(C)c(COc2c(Br)cc(CBr)cc2Br)c1Cl 235976631 DZGXWJFLZCTMQN-UHFFFAOYSA-N 487.417 5.381 50 10 JKGE CCCCCCCCCCCC(=O)NCC(=O)NN=Cc1c2ccccc2cc2ccccc12 254307629 MLGQTEKSPDKTDT-UHFFFAOYSA-N 459.634 6.480 50 10 JKGE COc1ccccc1C(C)=NN=C(C)C[P+](c1ccccc1)(c1ccccc1)c1ccccc1 254617727 SPJPIDUPCQGKKN-UHFFFAOYSA-N 465.557 5.874 50 10 JKGE Cc1cccc(C(=O)Oc2ccc3ccccc3c2C=NNC(=O)COc2ccc(C)c(C)c2)c1 254844465 LWCAJCKICJUSIR-UHFFFAOYSA-N 466.537 5.513 50 10 JKGE CCN(C[C@](C)(CBr)OCc1ccccc1Br)C(=O)OC(C)(C)C 303740670 BJJGOVOAGDHAIF-SFHVURJKSA-N 465.226 5.376 50 10 JKGE BrCc1c(I)cc(I)c2ccsc12 306641399 LYFHLOWBFBIBFS-UHFFFAOYSA-N 478.918 5.005 50 10 JKGE BrCc1ccc2cc(I)sc2c1I 306825310 XOQJEESBNOUENS-UHFFFAOYSA-N 478.918 5.005 50 10 JKGE ClCc1nc2cc(Cl)cnc2n1-c1cc(I)ccc1Br 380430863 MCUDINKYNSZFHG-UHFFFAOYSA-N 482.934 5.180 50 10 JKGE Cc1cc(Cl)ccc1[C@@H]1CN(C(=O)OCc2ccccc2)C[C@H]1CI 382733849 VWBVWZPOCCPVGZ-VQIMIIECSA-N 469.750 5.436 50 10 JKGE COCCOc1ccc([C@H](Br)c2nscc2Br)cc1Br 404971157 ZYOCGORSXJFKIO-LBPRGKRZSA-N 486.023 5.178 50 10 JKGE ClC[C@H](Cc1ccc(Br)cc1)Cc1cc(Cl)ccc1I 405542421 SZFJRJRGGXDTFP-GFCCVEGCSA-N 484.002 6.347 50 10 JKGE CC(C)(C)OC(=O)N1c2ccccc2CC[C@@H]1c1cccc(CCO[Si](C)(C)C(C)(C)C)c1 616596656 WBGRCQCVZZKHSJ-RUZDIDTESA-N 467.726 7.680 50 10 JKGE Cc1sc([C@H](Br)Cc2ccc(Br)cc2F)cc1Br 692782920 ROPPXBIAZBBWTK-LLVKDONJSA-N 457.000 6.399 50 10 JKGE Cc1ccc(I)cc1-n1c(CCl)nc2cccc(Br)c21 697738083 VPXMLEMRDVJENQ-UHFFFAOYSA-N 461.528 5.440 50 10 JKGE CC1(C)C[C@H]([C@H](Br)c2cc(Br)ccc2Br)C(C)(C)O1 710053072 KUYPFQVUHVJCLP-DGCLKSJQSA-N 455.028 6.241 50 10 JKGE COc1ccccc1NC(=O)[C@H](c1cccs1)N(C(=O)CCl)c1cccc(C(F)(F)F)c1 725238415 SLFGTAJYWJVVKR-FQEVSTJZSA-N 482.911 5.727 50 10 JKGE COC(=O)CC[C@H](C)[C@@H]1CC[C@@H]2[C@H]3C(=O)C[C@H]4C[C@@H](O[Si](C)(C)C)CC[C@@]4(C)[C@@H]3CC[C@@]12C 1076120225 FYICTKZKCGJHMG-AUZXRYKPSA-N 476.774 6.634 50 10 JKGE O=C(NN=C1C(=O)N(Cc2c(Cl)cccc2Cl)c2ccccc21)c1nc2ccccc2s1 1084014638 RYQVKFCYNASYMD-UHFFFAOYSA-N 481.364 5.284 50 10 JKGE CCn1c2ccccc2c2cc(C=NNC(=O)c3ccc(NC(=O)C4CCCCC4)cc3)ccc21 1084210770 RONIAPNNXUQQMT-UHFFFAOYSA-N 466.585 6.097 50 10 JKGE Cc1ccc(C)c(-n2c(C)cc(C=NNC(=O)C(=O)Nc3ccc(Oc4ccccc4)cc3)c2C)c1 1084485238 HWVRVBOFVJFRBC-UHFFFAOYSA-N 480.568 5.592 50 10 JKGE CC(C)(C)OC(=O)N1C[C@H](CI)[C@H](c2cc3ccccc3nc2Cl)C1 1614692769 OZJGYSFPHRBYCK-DZGCQCFKSA-N 472.754 5.274 50 10 JKGE COc1ccc(CCN2C(=O)C(C#N)=C(C)/C(=C/Nc3ccc(N=Nc4ccccc4)cc3)C2=O)cc1 1772742751 CZWLPSOORUZCFC-DMUBRQBNSA-N 491.551 5.858 50 10 JKGE CCCCc1ccc(NC(=O)c2oc3c(c2C)C(=NNC(=O)c2ccc(O)cc2)CCC3)cc1 1772745448 ZWADJNCPPMEFCJ-UHFFFAOYSA-N 459.546 5.359 50 10 JKGE Cc1occc1C(=O)NN=C1CCCc2oc(C(=O)Nc3ccc(Cl)c(Cl)c3)c(C)c21 1772748412 CWEZEVMHHYACKO-UHFFFAOYSA-N 460.317 5.519 50 10 JKGE Cc1ccc2c(CC(=O)NN=C3CCCc4oc(C(=O)N5CCC(C)CC5)c(C)c43)coc2c1C 1772752001 QZIXNVNVFXZPSN-UHFFFAOYSA-N 475.589 5.222 50 10 JKGE O=C(Nc1ncccc1OCC(=O)N(Cc1ccccc1)c1ccccc1)Oc1ccc([N+](=O)[O-])cc1 1858694215 VSVRRMPQDFHBGZ-UHFFFAOYSA-N 498.495 5.213 50 10 JKGE CC(C)(C)c1ccc([C@H]2C(C#N)=C(N)Oc3c2c(-c2ccccc2)nn3Cc2ccc(Cl)cc2)cc1 1865682703 VXIGHTNAGVLESY-VWLOTQADSA-N 495.026 6.767 50 10 JKGE Cc1ccc(Cn2nc(C(F)(F)F)c3c2OC(N)=C(C#N)[C@H]3c2ccc(Cl)cc2Cl)cc1 1865684942 BBRUCEOOTZXPMG-QGZVFWFLSA-N 479.289 5.784 50 10 JKGE CCCc1nn(Cc2ccccc2Cl)c2c1[C@@H](c1cc(Br)ccc1O)C(C#N)=C(N)O2 1865696832 RDZFENWJKRGLDN-FQEVSTJZSA-N 499.796 5.224 50 10 JKGE Cc1ccc(-n2nc(-c3ccccc3)c3c2OC(N)=C(C#N)[C@@H]3c2ccc(Br)cc2)cc1 1865715213 ZFRVCGGDIPRSID-QFIPXVFZSA-N 483.369 5.828 50 10 JKGE Cc1nc(-c2ccc(F)cc2F)ccc1C(=O)NNC(=O)/C=C/c1cccc(OCc2ccccc2)c1 1865759892 XHXOTRAIXUIKTF-XNTDXEJSSA-N 499.517 5.389 50 10 JKGE N#C/C(=C\c1ccc(Br)cc1)C(=O)NC[C@H](c1c(F)cccc1Cl)N1CCCC1 1866128699 HGGXBIAERCCQFT-ZRNYNZGJSA-N 476.777 5.102 50 10 JKGE CCCC[C@H](NC(=O)c1ccc(-c2cc3ccccc3[nH]2)cc1)C(=O)Nc1ccc(SC#N)cc1 1867061774 MNWBWKHAFIVOBK-VWLOTQADSA-N 482.609 6.335 50 10 JKGE COc1ccc(-c2csc(/C(C#N)=C(\O)c3ccc4c(c3)C(=O)N(CC(C)C)C4=O)n2)cc1 1872746106 RYKLSUMUMFJDNV-XDOYNYLZSA-N 459.527 5.021 50 10 JKGE N#C/C(=C(/O)c1ccccc1C(=O)c1ccccc1)c1nc(-c2ccc(Cl)c(Cl)c2)cs1 1872748591 DHQFIXRTGSUSDE-CLCOLTQESA-N 477.372 7.298 50 10 JKGE CCCOc1ccc(-c2csc(/C(C#N)=C(\O)[C@H]3CC(=O)N(c4c(C)cccc4CC)C3)n2)cc1 1872749460 SEPVYFJVFRSDHW-GYSBHSFWSA-N 487.625 6.316 50 10 JKGE CC(C)(C)c1ccc(-c2csc(/C(C#N)=C(\O)Cc3ccc(Br)cc3)n2)cc1 1872750866 NMLZFSZSDHFMGZ-VZCXRCSSSA-N 453.405 6.905 50 10 JKGE CCCCCCCOc1ccc(-c2csc(/C(C#N)=C(\O)c3ccc(Cl)c([N+](=O)[O-])c3)n2)cc1 1872753175 KSLDDNWCPKJVEP-GFMRDNFCSA-N 498.004 7.671 50 10 JKGE COc1ccc(-c2csc(/C(C#N)=C(\O)c3cccc(Oc4ccccc4)c3)n2)c(OC)c1 1872755222 DHGJQPPIJUWIDC-LVWGJNHUSA-N 456.523 6.569 50 10 JKGE COc1cc(OC)c(-c2csc(/C(C#N)=C(\O)Cc3ccc(OC(C)C)cc3)n2)cc1Cl 1872756539 OSNYCGAOXFKDED-UZYVYHOESA-N 470.978 6.303 50 10 JKGE COc1cc(Cl)c(C)cc1-c1csc(/C(C#N)=C(\O)CCCOc2c(C)cccc2C)n1 1872756831 CNEDKKLCSPNUBR-QOCHGBHMSA-N 469.006 7.049 50 10 JKGE CCOc1cc(/C=C(\C#N)c2nc(-c3ccc(C)cc3)cs2)ccc1OCc1ccccc1C 1872790724 BFUCMQYVLCPVAX-MFKUBSTISA-N 466.606 7.469 50 10 JKGE CCCCCCOc1ccc(/C=C(\C#N)c2nc(-c3ccc(F)c(C)c3)cs2)cc1OC 1872790970 OHZFERCTZXSXJQ-KGENOOAVSA-N 450.579 7.290 50 10 JKGE COc1ccc(C)cc1-c1csc(/C(C#N)=C/c2cc(Br)c(OC(C)C)c(OC)c2)n1 1872791054 TZMFKCMQJCDSEV-RQZCQDPDSA-N 499.430 6.750 50 10 JKGE CCCCOc1c(Br)cc(/C=C(\C#N)c2nc(-c3ccc(C)c(C)c3)cs2)cc1OC 1872793660 MCISVRSIWXXBAN-RGVLZGJSSA-N 497.458 7.441 50 10 JKGE Cc1c(Br)sc([C@H](Br)[C@@H]2C[C@@H]2Br)c1Br 1877359569 LKJCOZNWSBHYBT-JCGDXUMPSA-N 467.846 5.801 50 10 JKGE Cc1c(Br)cccc1C(=O)N(Cc1ccccc1)[C@H](CBr)C(C)C 1915293279 KJLPODQWDKYKCB-LJQANCHMSA-N 453.218 5.819 50 10 JKGE CC(C)(CBr)N(Cc1ccccc1)C(=O)c1cccc(I)c1 1915773090 DHKRRHXUCJEUDM-UHFFFAOYSA-N 472.164 5.107 50 10 JKGE C[C@@H]1CC[C@@](C)([C@@H](Br)c2c(Br)sc(Br)c2Cl)C1(C)C 1923037436 DDAPSYSGAJSUML-IMIVBSTGSA-N 493.530 7.825 50 10 JKGE Cc1sccc1[C@H](Br)c1c(Br)sc(Br)c1Cl 1923070970 FWODHEQZAUXNGV-ZETCQYMHSA-N 465.457 6.781 50 10 JKGE Cl[C@H](c1c(Br)sc(Br)c1Br)[C@@H]1CCc2ccccc2C1 1924599017 ALLYBEOEOWZZGM-MFKMUULPSA-N 499.493 7.121 50 10 JKGE C[C@@H]1CCCC[C@@H]1[C@@H](Cl)c1c(Br)sc(Br)c1Br 1924612540 CCERGHZHOZUFDJ-MATHAZKKSA-N 465.476 7.142 50 10 JKGE Brc1sc(Br)c([C@@H](Br)[C@@]23CCC[C@@H]2C3)c1Br 1924614821 RMBZITUYGDOMQY-ZDRUMUKXSA-N 493.884 6.662 50 10 JKGE Cl[C@H](Cc1ncccc1Br)c1cc(Br)ccc1Br 1924861701 OEGFTPXDZLZWNA-GFCCVEGCSA-N 454.387 5.892 50 10 JKGE Fc1ccc([C@H](Br)c2c(Cl)sc(Br)c2Cl)c(F)c1F 1925588282 DZXMWWDAAGBSRG-LURJTMIESA-N 454.920 6.719 50 10 JKGE Clc1cc(Br)c([C@H](Cl)Cc2ccccc2I)s1 1948825409 HGMYBUYPQKHLTQ-SECBINFHSA-N 461.977 6.291 50 10 JKGE Cc1csc([C@@H](Cl)c2c(Br)sc(Br)c2Cl)c1Br 1950882212 RHGYGAUVGRDVSL-LURJTMIESA-N 499.902 7.387 50 10 JKGE CC[C@H](Br)CN(Cc1ccccc1)Cc1cc(Cl)c(C)c(Br)c1 1979764699 WJITYDFQUWDZRF-KRWDZBQOSA-N 459.653 6.587 50 10 JKGE Brc1ccc([C@@H](Br)c2csnc2Br)c(Br)c1 1994123828 DKEWZVJQQFXWKI-SECBINFHSA-N 490.840 5.915 50 10 JKGE CC(C)[C@@H](CCl)N(Cc1ccccc1)Cc1ccc(I)c(Cl)c1 1995479462 PWPFDILRXPUGOV-LJQANCHMSA-N 462.202 6.210 50 10 JKGE CCN(C[C@](C)(CI)OCC1CC2(CCC2)C1)C(=O)OC(C)(C)C 2017327951 GNICECOCIRARRB-SFHVURJKSA-N 451.389 5.034 50 10 JKGE Cc1cc([C@H](Br)c2csc(Br)c2Br)c(Cl)cc1F 2032958841 NFCOFZYKTSPIEN-JTQLQIEISA-N 477.418 6.858 50 10 JKGE CCCc1ccc([C@@H](Br)c2csc(Br)c2Br)cc1 2032959242 XXSIOIZBIOBVQW-GFCCVEGCSA-N 453.037 6.710 50 10 JKGE Clc1c(Br)sc(Br)c1[C@H](Br)[C@H]1CC12CCCCC2 2039004598 BBRIVOYYLMBWGS-VXNVDRBHSA-N 477.487 7.333 50 10 JKGE Cc1cc([C@H](Br)c2cc(F)c(Br)cc2F)c(Br)s1 2039503949 UOFRJIRXLMWJLK-LLVKDONJSA-N 460.963 6.344 50 10 JKGE CCn1cc(Br)c([C@H](Br)c2c(Cl)sc(Br)c2Cl)n1 2060855613 JAKQLYAFRCBAOA-ZCFIWIBFSA-N 497.865 6.281 50 10 JKGE CC(C)(C)OC(=O)NCCSSCCN[C@H]1CCCc2sc(Br)cc21 2061265087 XJIAQOABQKTNOK-ZDUSSCGKSA-N 467.520 5.384 50 10 JKGE Clc1c(Br)sc(Br)c1[C@@H](Br)C12CCCC1CCC2 2063812542 ITIIZJJQUNPHRT-OILJVLCYSA-N 477.487 7.333 50 10 JKGE Cc1cc([C@H](Br)c2ccc(Br)c(C)c2Br)sc1Cl 2083341097 XPVYOYCNEGCFGL-GFCCVEGCSA-N 473.455 7.028 50 10 JKGE Fc1cc(Cl)c([C@@H](Br)Cc2ccccc2I)cc1F 2087570627 UFQLSBPVZNICNB-JTQLQIEISA-N 457.483 5.902 50 10 JKGE CC[C@H](C)c1ccc([C@@H](Br)c2csc(Br)c2Br)cc1 2093941971 HGRMQAQVPULMEE-TVQRCGJNSA-N 467.064 7.271 50 10 JKGE COc1ccc([C@@H](Cl)c2c(Br)cccc2Br)cc1Br 2094089894 BEQAMRCWOMGXDY-CQSZACIVSA-N 469.398 6.311 50 10 JKGE Cc1c(Br)sc([C@H](Br)[C@H]2CCn3ccnc3C2)c1Br 2108963361 UTBLPDWACCGJHR-GZMMTYOYSA-N 469.040 5.477 50 10 JKGE CC1(C)C[C@H](CBr)CN(C(=O)c2scc(Br)c2Br)C1 2115954074 NISPHHUSRCVSIC-MRVPVSSYSA-N 474.056 5.156 50 10 JKGE Cc1cc(Br)c(C)c([C@@H](Cl)c2ccccc2Br)c1Br 2136368708 AIMJUSTZDXFULY-HNNXBMFYSA-N 467.426 6.919 50 10 JKGE Cc1c(Br)ccc([C@H](Br)C[C@@H]2COC(C)(C)C2)c1Br 2138870279 HXJKSWJMDQMIQJ-GXFFZTMASA-N 455.028 6.161 50 10 JKGE CCC1CCC([C@H](Br)c2ccc(Br)c(C)c2Br)CC1 2138875145 CDPCACWVRJZZOO-PPUFBPAQSA-N 453.056 7.172 50 10 JKGE C[C@@H](c1cnn(Cc2ccccc2)c1)n1c([C@@H](C)Cl)nc2cc(I)ccc21 2146217452 MNAAWIFCGFCXSU-CABCVRRESA-N 490.776 5.795 50 10 JKGE C[C@@H](Br)C12CCC(CC1)N2C(=O)c1cccc(Br)c1Br 2153390418 BANRPKDDLHITCC-SBTGLGLWSA-N 466.011 5.132 50 10 JKGE COc1ccc(Oc2c(CBr)ccc(Br)c2Cl)c(Br)c1 2154375265 FWHXAFRIYARXRM-UHFFFAOYSA-N 485.397 6.561 50 10 JKGE CC1(C)C[C@H](n2c(CCCl)nc3cc(I)ccc32)[C@H]1OCc1ccccc1 2156376048 OIOSGKWHHRURPW-PZJWPPBQSA-N 494.804 5.979 50 10 JKGE C[C@@H]1C[C@@H](CCC(CBr)(CBr)c2cccc(Br)c2)CO1 2159283975 ANRAGWNWGCFEID-CHWSQXEVSA-N 469.055 5.682 50 10 JKGE C[C@H](Cl)c1nc2cc(Br)c(Cl)cc2n1[C@]12C[C@H]1CN(Cc1ccccc1)C2 2160060304 HMMALLOMNSOLON-YHQOMNDMSA-N 465.222 5.983 50 10 JKGE CCC(CC)(CBr)CN1CC[C@@H](C(F)(F)F)C[C@H]1CNC(=O)OC(C)(C)C 2163833750 CHVSJZMKLKQQLI-CABCVRRESA-N 459.391 5.355 50 10 JKGE CCc1nc([C@H](Br)c2cc(C)c(Br)cc2OC)c(Br)s1 2169491744 XAOCTDFTFIJDQI-GFCCVEGCSA-N 484.051 6.032 50 10 JKGE CO[C@H]1C[C@@H]([C@@H](Br)c2cc(Br)c(C)cc2Br)C[C@H]1OC 2174891994 KMTDMGRKTNSPSN-KYQLBWAOSA-N 471.027 5.396 50 10 JKGE CCn1cc(Br)c(COc2c(Br)cc(CCl)cc2Br)n1 2181150588 KSOHRLGJRDGRGC-UHFFFAOYSA-N 487.417 5.508 50 10 JKGE CCOc1ccc([C@H](Br)c2c(Br)c(C)nn2C)c(Br)c1 2192376099 TUQYAEYHMIXVQN-ZDUSSCGKSA-N 466.999 5.137 50 10 JKGE CC(C)(C)OC(=O)NC[C@H]1C[C@H]([S@@](C)(=O)=NCCCCCCCCCBr)C1 2192623326 FLNWIODCTKIHFP-KMVLGAPJSA-N 467.514 5.513 50 10 JKGE COc1c(Cl)cc(Br)cc1[C@@H](Br)c1ccc(F)cc1Br 2203004902 WQEYMNRDEAUFSK-ZDUSSCGKSA-N 487.388 6.497 50 10 JKGE COc1cccc([C@H](Br)c2ccc(Br)c(C)c2Br)c1F 2203683866 IFYJPARNOQUXNT-CQSZACIVSA-N 466.970 6.152 50 10 JKGE CS(=O)(=O)c1cccc([C@@H](Br)c2ccc(Br)cc2Br)c1 2203688886 WGGPZMVCLUJCBC-CQSZACIVSA-N 483.019 5.099 50 10 JKGE FC(F)(F)[C@@H]1CC[C@H]1[C@H](Br)c1ccc(Br)cc1Br 2217676682 SJRREZLEISCMIQ-ZOFUNIGCSA-N 450.918 6.236 50 10 JKGE CCc1cc(Br)c([C@H](Cl)c2ccc(C)c(I)c2)s1 2217865914 HEJUYOYXPIAJJQ-CYBMUJFWSA-N 455.586 6.314 50 10 JKGE Cc1cc(Br)c([C@@H](Cl)c2coc(Br)c2)c(C)c1Br 2220145891 JXTHZJVIVWRUBA-ZDUSSCGKSA-N 457.387 6.512 50 10 JKGE Cc1c(F)ccc([C@@H](Br)c2cc(Br)c(Br)s2)c1F 2223264773 KHXHMTFYCQYFQN-SNVBAGLBSA-N 460.963 6.344 50 10 JKGE Clc1cc(Br)c([C@H](Br)CC[C@@H]2CCCO2)c(Cl)c1Cl 2224302756 OMRYISXMLJVJMM-JGVFFNPUSA-N 451.413 6.805 50 10 JKGE Cc1cccc(C[C@H](Br)c2cc(Br)c(Br)cc2F)c1 2225615460 HPTWWHWQWUWDFY-LBPRGKRZSA-N 450.971 6.338 50 10 JKGE Fc1cc(Br)c(Br)cc1[C@H](Br)[C@@H]1[C@H]2[C@H]3CC[C@@H](C3)[C@H]21 2225618156 XUSQOHCQQRAHBN-ATNWDKABSA-N 452.987 6.079 50 10 JKGE COC12CCC([C@H](Br)c3cc(Br)ccc3Br)(CC1)C2 2231593682 FUBCTLFICNTCGT-WLYUNCDWSA-N 453.012 5.997 50 10 JKGE Clc1cc(Br)c([C@H](Br)[C@@H]2C[C@@H]3CC[C@H](C2)O3)c(Cl)c1Cl 2232508805 HGJGKVUKGLBXKQ-BSFVXNEUSA-N 463.424 6.803 50 10 JKGE Clc1cc(Br)c([C@H](Br)[C@H]2Cc3ccccc32)c(Cl)c1Cl 2232510748 ICZMTIIAAHZJCB-TVQRCGJNSA-N 455.404 7.185 50 10 JKGE Fc1cccc(Cl)c1[C@H](Br)c1c(Br)cc(Cl)c(Cl)c1Cl 2232513507 QWQLOHXRYCOCAL-LLVKDONJSA-N 481.801 7.686 50 10 JKGE C[C@@H](Cl)c1nc2c(F)cc(Br)cc2n1C[C@@H]1CCCN1Cc1ccccc1 2232917188 YPBQZUUUGMZVHG-PBHICJAKSA-N 450.783 5.902 50 10 JKGE Cc1sc([C@@H](Br)c2cc3c(cc2Br)OCC3)c(C)c1Br 2234464220 MJJXBZWBVGVQRU-AWEZNQCLSA-N 481.047 6.309 50 10 JKGE Cc1cc(Br)c([C@H](Br)[C@@H]2COCCC2(F)F)c(C)c1Br 2235596900 ABAVBXGAUQDLRS-TVQRCGJNSA-N 476.981 5.936 50 10 JKGE CCCC[C@H](C)CC[C@@H](Br)c1c(Br)cc(C)c(Br)c1C 2235610652 HAMDYWPYTIZYOT-SMDDNHRTSA-N 469.099 7.871 50 10 JKGE Cc1cc(Br)c([C@@H](Br)C23CCC(CC2)CC3)c(C)c1Br 2235610730 HDOCGXNSUMHYKQ-PTXATLKXSA-N 465.067 7.235 50 10 JKGE COc1cc(Br)c([C@@H](Br)c2c(F)cccc2Br)cc1C 2236009145 NVYMYJBONRWGNZ-OAHLLOKOSA-N 466.970 6.152 50 10 JKGE CC[C@H](C)NCc1cc(Br)cc(Br)c1OC[C@@H]1C[C@@H]1Br 2240244679 OFTUCPRYPLZXNB-GAFUQQFSSA-N 470.043 5.262 50 10 JKGE ClCc1nc2c(Cl)cccc2n1-c1ccc(Br)cc1I 2240288794 HACQFYSECLHYQA-UHFFFAOYSA-N 481.946 5.785 50 10 JKGE Clc1c(Br)csc1[C@@H](Cl)c1cc(Br)sc1Br 2242671016 NEZOLMOAQOZRLQ-LURJTMIESA-N 485.875 7.079 50 10 JKGE Brc1ccc([C@@H](Br)c2cocc2Br)c(Br)c1 2244207696 GPMSJVNSRQFGEZ-LLVKDONJSA-N 473.784 6.051 50 10 JKGE CC(C)(C)OC(=O)N1C[C@H](OCc2cc(Br)ccc2Cl)[C@H](Br)C1 2245931104 QTSMJQXGCSAPRK-OCCSQVGLSA-N 469.601 5.002 50 10 JKGE Cc1sc([C@@H](Cl)c2c(F)cccc2I)c(Br)c1C 2255903243 WACFTJONNVKRRU-LBPRGKRZSA-N 459.549 6.199 50 10 JKGE COc1ccc([C@H](Br)Cc2cccc(Br)c2)cc1I 2269556426 OSQKHVGUPKANFG-CYBMUJFWSA-N 495.980 5.741 50 10 JKGE C[C@@H](Br)CN(CCC(C)(C)C)C(=O)c1sccc1I 2272428589 MATQSVQBQPNMGZ-SNVBAGLBSA-N 458.203 5.015 50 10 JKGE Clc1ccc(I)cc1Oc1nc2sccn2c1CBr 2272648721 XYCLAMNKGHBGJT-UHFFFAOYSA-N 469.529 5.341 50 10 JKGE CCc1occ(C)c1[C@H](Br)c1c(F)cc(Br)c(F)c1Br 2288348001 ALGKFMBCFXANAC-LBPRGKRZSA-N 472.949 6.438 50 10 JKGE Clc1cc(Br)c([C@H](Br)[C@]23CCCC[C@@H]2CC3)c(Cl)c1Cl 2288970886 JOSSSTYMYLCMGJ-YIUPMNOESA-N 461.452 7.816 50 10 JKGE CC(C=CC=C(C)C=CC1=C(C)[C@@H](OC(=O)C=CC[C@@H](C)CCCO)CCC1(C)C)=CC=O 2294818710 NZDKRQXMNZNHNV-AMGIVPHBSA-N 454.651 6.594 50 10 JKGE Cc1cc(-c2nn(-c3ccccc3)cc2C=C(C#N)C(=O)NC[C@@H]2CCCO2)ccc1OCCC(C)C 2296539374 RLJJPSYUXMVODY-MHZLTWQESA-N 498.627 5.475 50 10 JKGE CCCCOc1ccc(-c2nn(-c3ccccc3)cc2C=C(C#N)C(=O)NC2CCCCC2)c(C)c1 2296706615 ACIAFMACRRIXSA-UHFFFAOYSA-N 482.628 6.383 50 10 JKGE COc1cccc(NC=C(C#N)c2nc(-c3cc4c(ccc5ccccc54)oc3=O)cs2)c1 2297321167 OVJTYGCBHBXQJM-UHFFFAOYSA-N 451.507 6.055 50 10 JKGE CC(C=NNC(=O)CSc1nnc(-c2ccccc2)n1-c1ccc(Cl)cc1)=Cc1ccco1 2297458535 LAORNPDUWGIZEU-UHFFFAOYSA-N 477.977 5.478 50 10 JKGE CCOC(=O)c1ccccc1NC=C(C#N)c1nc(-c2ccc(-c3ccccc3)cc2)cs1 2297477340 AADYERICIFHQTR-UHFFFAOYSA-N 451.551 6.630 50 10 JKGE Cc1c(CO[C@H]2CN(C(=O)OC(C)(C)C)C[C@@H]2I)ccc(Cl)c1Cl 2301380586 YRUPWTLRZXLWEM-KBPBESRZSA-N 486.177 5.241 50 10 JKGE Brc1cc([C@@H](Br)[C@H]2OC[C@@H]3CCCC[C@H]23)sc1Br 2312259514 FHXHRQOKKAOMPT-MMSPYSMKSA-N 459.041 5.914 50 10 JKGE Cc1ccc(NC(=O)C(C#N)=Cc2ccc(OCc3ccc4c(c3)OCO4)c(Br)c2)cc1 2313567034 BKVWYPGYHJROBC-UHFFFAOYSA-N 491.341 5.611 50 10 JKGE C[C@@H]1Oc2ccccc2C=C1C=C(C#N)c1nc(-c2cccs2)c(NC(=O)c2ccco2)s1 2314433363 MSCWJGSYGNBTDL-HNNXBMFYSA-N 471.563 6.488 50 10 JKGE Brc1ccc(OCc2ccccc2)c([C@H](Br)C23CCCC2CCC3)c1 2314440188 NEUBONIWSBDPHM-LPBNZCGVSA-N 464.241 7.435 50 10 JKGE COc1ccc(N2C(=O)[C@@H](Cc3ccccc3F)SC2=C(C#N)C(=O)Nc2cccc(C)c2)cc1 2314591687 BGNVMYFAIBZEEH-XMMPIXPASA-N 487.556 5.208 50 10 JKGE N#CC1=C(N)Oc2cc(OC(=O)C=Cc3ccccc3Cl)ccc2[C@H]1c1cccc([N+](=O)[O-])c1 2314634104 MLXNQCYIXVYWIM-XMMPIXPASA-N 473.872 5.085 50 10 JKGE Fc1c(Br)cc(Cl)c([C@@H](Br)C[C@@H]2CCOC2)c1Br 2315437311 VWYAVOVKKIRYFA-BQBZGAKWSA-N 465.382 5.867 50 10 JKGE Cc1nc(Br)c([C@@H](Cl)c2ccc(OCc3ccccc3)cc2Br)n1C 2315598086 ABHWOURXQPICSS-KRWDZBQOSA-N 484.619 6.161 50 10 JKGE Brc1sncc1[C@@H](Br)c1csc2c(Br)cccc12 2315624984 HLCSYSMKGVEBFU-SNVBAGLBSA-N 468.033 6.367 50 10 JKGE COc1ccc(C(C#N)=Cc2ccc(OC(=O)[C@@H](C)Oc3ccc(Cl)cc3Cl)c(OC)c2)cc1 2320506549 LZHMERRMZARPSP-MRXNPFEDSA-N 498.362 6.448 50 10 JKGE COc1cccc(C=C2Oc3c(ccc(OCc4ccc(CCl)cc4)c3C)C2=O)c1OC 2325339616 QPSVUHYPHOFQIT-UHFFFAOYSA-N 450.918 5.946 50 10 JKGE CC(C)C[C@H](NC(=O)OC(C)(C)C)C(=O)NN=Cc1ccc(OCc2ccc(Cl)cc2)cc1 2328796676 UQHCEOQGVORISY-QFIPXVFZSA-N 474.001 5.309 50 10 JKGE N#CC(=C(O)c1ccc(N2CCCC2)c([N+](=O)[O-])c1)c1nc(-c2cccc([N+](=O)[O-])c2)cs1 2331236527 BQUDOGHOMIQKBX-UHFFFAOYSA-N 463.475 5.177 50 10 JKGE N#CC(=C(O)CCCOc1ccc2ccccc2c1)c1nc(-c2c[nH]c3ccccc23)cs1 2331348582 JJHUUXNSILSUHY-UHFFFAOYSA-N 451.551 7.096 50 10 JKGE COc1ccc(-c2csc(C(C#N)=C(O)[C@@H]3CC(=O)N(Cc4ccccc4)C3)n2)c(C)c1C 2331362305 UUGBWHXIJMBOFG-LJQANCHMSA-N 459.571 5.277 50 10 JKGE COc1c(C)cc(Cl)cc1-c1csc(C(C#N)=C(O)c2ccccc2Br)n1 2331391892 SFZZGINVEFTUGD-UHFFFAOYSA-N 461.768 6.493 50 10 JKGE COc1ccc(C)cc1-c1csc(C(C#N)=Cc2cc(Br)cc(OC)c2O)n1 2331448970 WQASAPLUHPIPQW-UHFFFAOYSA-N 457.349 5.668 50 10 JKGE COc1cc(C=C(C#N)c2nc(-c3ccc4c(c3)OCO4)cs2)ccc1OCCc1ccccc1 2331453761 GTGJOWWBWKYRHM-UHFFFAOYSA-N 482.561 6.233 50 10 JKGE COc1ccc(-c2csc(C(C#N)=Cc3ccccc3OCc3ccc(Cl)cc3)n2)cc1F 2331455683 GZNRUYULFTXCOF-UHFFFAOYSA-N 476.960 7.254 50 10 JKGE CCN(CC)c1ccc(C=C(C#N)c2nc(-c3cc(Cl)c(OC)cc3OC)cs2)cc1 2331472337 KMAUGKGMFPLTDX-UHFFFAOYSA-N 453.995 6.391 50 10 JKGE COc1cc(Br)cc(C=C(C#N)c2nc(-c3cc(Cl)cc(C)c3OC)cs2)c1O 2331474425 GNPKNFWEIUNKKD-UHFFFAOYSA-N 491.794 6.321 50 10 JKGE Cc1cc([C@H](Cl)c2c(F)cc(Cl)c(Br)c2Cl)c(Br)s1 2335356079 NCZQSYLFLUBPMW-JTQLQIEISA-N 467.412 7.356 50 10 JKGE CCOc1ccccc1[C@H](Br)c1cc(Br)ccc1OCc1ccccc1 2336048332 SWVSPATVRWRIGP-QFIPXVFZSA-N 476.208 6.911 50 10 JKGE CC1(C)[C@H]2CC[C@@H](C2)[C@@H]1[C@H](Br)c1ccc(OCc2ccccc2)cc1Br 2336052882 FBIDBBIDFQMMCO-PEYKTXOXSA-N 478.268 7.536 50 10 JKGE Clc1ccc(CN2[C@H]3CCC[C@H]2CC(Br)C3)cc1I 2337226071 STMPQQZSVWQSEM-STQMWFEESA-N 454.577 5.225 50 10 JKGE CCCCO[C@H]1[C@@H](Oc2cc(Br)cc(Br)c2)C[C@H]1Br 2338761517 YLIGERQIBDOZPD-HZSPNIEDSA-N 457.000 5.312 50 10 JKGE Fc1cc(CBr)ccc1OCc1cc(I)ccc1Br 2341781333 VDZHJOQOMDMWTM-UHFFFAOYSA-N 499.943 5.667 50 10 JKGE Cc1cc(Br)c([C@H](Br)[C@@H]2CC[C@H]2C(C)(C)C)cc1Br 2343144364 ZONIFLFMQHPFCV-IXPVHAAZSA-N 453.056 7.028 50 10 JKGE CC(C)(C)[C@](C)(CBr)COCc1c(Br)cccc1Br 2352103287 FUMMXOSRVNFFMP-OAHLLOKOSA-N 457.044 6.176 50 10 JKGE CCCc1nc(Br)c(Br)n1C[C@](C)(CBr)C(C)(C)C 2352107332 NARNEYPHCLGWLK-AWEZNQCLSA-N 459.064 5.808 50 10 JKGE CC1(C)CC[C@@H](Br)[C@@H](Cc2cc(I)ccc2Cl)CC1 2352428540 WIAVMYPTVGWNQL-BXUZGUMPSA-N 455.605 6.467 50 10 JKGE CCn1cc([C@H](Cl)c2c(F)cc(Cl)c(Br)c2Cl)nc1Br 2360492104 JENDIKKOYWGVKT-JTQLQIEISA-N 465.375 6.202 50 10 JKGE Cc1cc(C)c([C@H](Br)c2c(Br)nc(C)n2C)c(C)c1Br 2362447678 ZGFDLEHPTMQVTE-ZDUSSCGKSA-N 465.027 5.663 50 10 JKGE COc1cc(F)c([C@@H](Cl)c2ccc(Cl)cc2I)cc1Br 2365597987 MITVFXANUUMAEN-AWEZNQCLSA-N 489.937 6.183 50 10 JKGE CC(C)(C)[C@@H]1CC[C@@H]1CO[C@H](CI)c1ccc(Br)cc1 2369178400 PHAIQMXTAMWDTL-FVQBIDKESA-N 451.186 6.014 50 10 JKGE COc1c(F)cc([C@@H](Br)c2cccc(F)c2I)cc1F 2370454904 AERGXBUGIXWUJU-GFCCVEGCSA-N 457.027 5.201 50 10 JKGE CC(C)(C)[C@H]1CCc2c(C(=O)NN=Cc3cn(Cc4ccccc4)c4ccccc34)csc2C1 8450954 GNKJTAIDPKPGPC-QFIPXVFZSA-N 469.654 6.666 50 10 JKGE CCSc1sccc1[C@@H]1C(C#N)=C(N)N(c2cccc(Cl)c2)C2=C1C(=O)CC(C)(C)C2 9981559 DBWOJFBBWFIYIK-HXUWFJFHSA-N 470.063 6.454 50 10 JKGE COc1cccc(COc2ccccc2/C=N/NC(=O)[C@@H](C)Oc2ccc3ccccc3c2)c1 20311537 LXQTUQWOBDGERT-CJHIPLPSSA-N 454.526 5.345 50 10 JKGE Cc1cccn2c(=O)c(/C=C(/C#N)S(=O)(=O)c3ccccc3)c(Oc3ccc(C(C)(C)C)cc3)nc12 33368813 CEYDUGDCYHPWKR-QJOMJCCJSA-N 499.592 5.431 50 10 JKGE COc1ccc(NC(=O)/C(C#N)=C/c2cn(-c3ccccc3)nc2-c2cc3cccc(OC)c3o2)cc1 33515880 LCENGBOLXOKBQW-HMMYKYKNSA-N 490.519 5.848 50 10 JKGE CC(C)=CCC/C(C)=C\C=N\NC(=O)COc1c(C)cc(Br)cc1Br 34967579 FFJQMRAXEJLJCZ-AEKITBBNSA-N 472.221 5.694 50 10 JKGE Cc1ccc(Cn2c(C(=O)N3CCN(C(=O)[C@@H](Cl)c4ccccc4)[C@H](C)C3)cc3ccoc32)cc1 35843952 LUCNCLCCOPHDKM-NLFFAJNJSA-N 490.003 5.244 50 10 JKGE CC(C)c1ccccc1N1C(=O)CS[C@H]1c1ccc(NC(=O)[C@@H](Cl)c2ccccc2)cc1 35927519 OVSUEIDDYPBGGB-AHWVRZQESA-N 465.018 6.507 50 10 JKGE COc1ccc(Br)cc1[C@@H]1C(C#N)=C(N)Oc2cc(OC(=O)c3ccc(C)cc3)ccc21 38660664 UMCQFRQPVJQNEA-HSZRJFAPSA-N 491.341 5.204 50 10 JKGE Cc1ccc2oc(C(=O)Oc3ccc4c(c3)OC(N)=C(C#N)[C@H]4c3ccc([N+](=O)[O-])cc3)c(C)c2c1 38688263 VMICBNGKNOGUNN-DEOSSOPVSA-N 481.464 5.395 50 10 JKGE CCc1ccc(Oc2ncnc(NNC(=O)C(c3ccccc3)c3ccccc3)c2[N+](=O)[O-])cc1 40659387 LEMULZSARRALAF-UHFFFAOYSA-N 469.501 5.015 50 10 JKGE COc1ccc(C(=O)N/N=C2\CCCc3oc(C(=O)Nc4ccc(Cl)cc4Cl)c(C)c32)cc1 40813788 LGSHEOKJHGFJTL-TURZUDJPSA-N 486.355 5.626 50 10 JKGE CCCOc1ccc(/C=C(\C#N)C(=O)Oc2ccc(C(=O)Nc3ccc(Cl)cc3)cc2)cc1 40882633 IBNAFAPFOCVJAX-CAPFRKAQSA-N 460.917 5.894 50 10 JKGE COc1cc(/C=N/NC(=O)COc2ccc3ccccc3c2)ccc1OCc1ccccc1C 40888728 VMJWITKDJPMWCH-STBIYBPSSA-N 454.526 5.265 50 10 JKGE CC(C)(c1ccccc1)c1ccc(OCC(=O)N/N=C/c2ccc(OCc3ccccc3)cc2)cc1 40910590 FQGKSNUAGXHSLW-RUMWWMSVSA-N 478.592 6.121 50 10 JKGE CCc1ccc(OCC(=O)N/N=C/c2cc(Br)ccc2OCc2ccccc2)cc1 40912322 MLSLLVKYJAHATI-CVKSISIWSA-N 467.363 5.120 50 10 JKGE CCOc1cc(/C=C(\C#N)C(=O)NCc2ccco2)ccc1OC(=O)/C=C/c1cccc(Cl)c1 40945473 YZWRSLUZFBSBJS-ZEQSIELKSA-N 476.916 5.174 50 10 JKGE CCOc1cc(/C=N\NC(=O)CC[C@H](O)c2ccccc2)ccc1OCc1ccc2ccccc2c1 58890378 SFNAZCBYPZSQFZ-NMBDKVOKSA-N 482.580 5.781 50 10 JKGE O=C(CC[C@@H](O)c1ccccc1)N/N=C\c1cn(Cc2ccc(Cl)cc2Cl)c2ccccc12 58891062 CRPBYGJQPPFVNY-ACHZEZRCSA-N 480.395 5.960 50 10 JKGE COc1cc(/C=C(/C#N)C(=O)Nc2ccc(C)cc2)c(Br)cc1OCc1ccc(F)cc1 59335395 BJRUWZQITLHODM-ODLFYWEKSA-N 495.348 6.030 50 10 JKGE CCCCCC[N+](CCCCCC)(CCCCCC)CCCCCCSS(C)(=O)=O 65748964 DXNKOIZLYYBMLB-UHFFFAOYSA-N 464.846 7.797 50 10 JKGE in-vitro CCOc1ccc(N2C(=O)[C@@H](Cc3ccc(C)cc3)S/C2=C(/C#N)C(=O)NCc2ccccc2)cc1 101241189 KUCQKYJEXKHNPX-SJCFVWOQSA-N 497.620 5.136 50 10 JKGE CC(=O)c1ccc(N/C=C(/C#N)c2nc(-c3cc4cc(Br)ccc4oc3=O)cs2)cc1 102417028 AQTFHECAECZFPS-WJDWOHSUSA-N 492.354 5.858 50 10 JKGE O=c1[nH]c2cc(Br)c([C@H](Br)c3ccc(Br)c(Cl)c3)cc2[nH]1 129187304 BUUPRFLLYBBFCA-CYBMUJFWSA-N 495.396 5.519 50 10 JKGE COc1cc(Br)ccc1[C@H](Br)c1csc2c(Br)cccc12 160788249 LOXMZXRHKIBDRO-HNNXBMFYSA-N 491.042 6.919 50 10 JKGE CC(C)(C)[Si](C)(C)OC[C@@H]1CCC(/C(C#N)=C2/CC[C@H](CO[Si](C)(C)C(C)(C)C)N2)=N1 195806924 JYNLYWZVXIGLJC-DIEJKUKLSA-N 463.815 6.163 50 10 JKGE CCCCCCOc1ccc(/C=C(/C#N)C(=O)Nc2scc(-c3ccccc3)c2C(=O)OC)cc1 206250482 IFIXCNOXVYTECA-XLNRJJMWSA-N 488.609 6.706 50 10 JKGE N#C/C(=C/c1ccc(-c2ccccc2F)o1)C(=O)Nc1cc(C(F)(F)F)cc(C(F)(F)F)c1 209395708 GQEIVUPTQNBEKI-GHXNOFRVSA-N 468.328 6.669 50 10 JKGE CCCCCOc1ccc(/C=C2\C(=O)N(Cc3ccccc3)C(=O)C(C#N)=C2C)cc1OCC 214281676 ZINJJWMUKPKBPG-KQWNVCNZSA-N 458.558 5.447 50 10 JKGE COc1ccc([C@H](Br)c2cc(F)ccc2Br)c(OC)c1Br 224850739 NYNMLSLIHWRECP-ZDUSSCGKSA-N 482.969 5.852 50 10 JKGE COc1ccc([C@@H](Br)c2cc(Br)ccc2C)c(OC)c1Br 224859994 YQSLGXVCRSMMSF-CQSZACIVSA-N 479.006 6.022 50 10 JKGE Clc1c(Br)cccc1[C@H](Cl)c1csc2c(Br)cccc12 228454073 ARPBDMIZOLVTOK-ZDUSSCGKSA-N 451.010 7.408 50 10 JKGE CCOc1cc(C=NNC(=O)c2ccc(OCc3ccccc3)cc2)ccc1OC(=O)c1ccccc1 254371637 SNQBBUZZAQMSCC-UHFFFAOYSA-N 494.547 5.647 50 10 JKGE Cc1ccccc1N(CC(=O)NN=Cc1cccc(Oc2ccccc2)c1)C(=O)c1ccccc1 254396006 DQBGETQHEXDOHE-UHFFFAOYSA-N 463.537 5.584 50 10 JKGE CCc1ccc(-c2cc(C(=O)NN=C(C)c3ccccc3OC(C)C)c3cccc(Cl)c3n2)cc1 254440310 NBCQFMNEIRKUQS-UHFFFAOYSA-N 486.015 7.059 50 10 JKGE BrCc1sc2cccc(I)c2c1I 306626454 YTHMJDRLHDYEEO-UHFFFAOYSA-N 478.918 5.005 50 10 JKGE C[C@@H]1CCC[C@@H](CC(CBr)(CBr)c2ccccc2Br)C1 312526120 JCEQALNOCISPBT-ZIAGYGMSSA-N 467.083 6.693 50 10 JKGE CCCOc1ccc([C@H](Br)c2coc(Br)c2)cc1Br 380931818 VKBXKPRKJOVXTH-AWEZNQCLSA-N 452.968 6.078 50 10 JKGE Cc1ccc([C@H]2CN(C(=O)OCc3ccccc3)C[C@H]2CBr)cc1Br 382716741 KXTOKDVPMDOADD-QZTJIDSGSA-N 467.201 5.505 50 10 JKGE C[C@@H](CCOCc1ccccc1)n1c(CCl)nc2cc(I)ccc21 389685625 BWOOKFDPXGZJPY-AWEZNQCLSA-N 454.739 5.548 50 10 JKGE COc1ccc([C@@H](Br)c2cc(Br)oc2C)c(OC)c1Br 396629361 ZLFAMANHZOLOKQ-GFCCVEGCSA-N 468.967 5.615 50 10 JKGE O=[N+]([O-])c1sc(CBr)cc1Oc1ccc(Br)cc1Br 404359404 DTFBECDOHGKKQH-UHFFFAOYSA-N 471.952 5.869 50 10 JKGE CCCCCCCCCCCCCCCCCCC(=O)OC[C@@H](CO[Si](C)(C)C)OC(C)=O 504633377 RAQFOCAJSYMLET-SANMLTNESA-N 486.810 7.964 50 10 JKGE CC(C)(C)[Si](C)(C)OCCN1CCCOC[C@@H]1c1cccc(CO[Si](C)(C)C(C)(C)C)c1 616599094 HQONJUVWCWVTGZ-XMMPIXPASA-N 479.854 6.994 50 10 JKGE CC(C)(C)OC(=O)NCCN1CCC[C@H](c2ccccc2CO[Si](C)(C)C(C)(C)C)CC1 616600492 KIQWDLFKXHJBKK-NRFANRHFSA-N 462.751 6.303 50 10 JKGE Brc1cc(Br)cc([C@@H](Br)c2ccc(C3CC3)s2)c1 707926916 YLUJUWPDCSCCGJ-CQSZACIVSA-N 451.021 6.635 50 10 JKGE BrCc1ccc(Br)cc1N1CC[C@@H]2CC[C@H](C1)N2Cc1ccccc1 717412032 MTKBBJHMFNJNEP-VQTJNVASSA-N 464.245 5.587 50 10 JKGE Oc1nc2ccc([C@H](Cl)c3ccc(I)c(Br)c3)cc2o1 721573950 UURIRSZGRRPWKJ-CYBMUJFWSA-N 464.484 5.229 50 10 JKGE Cc1ccc(NC(=O)/C(C#N)=C\c2ccc(OCc3ccc(Cl)c(Cl)c3)cc2)c(C)c1 1084597055 BXVOGLKNOFPVOH-NDENLUEZSA-N 451.353 6.735 50 10 JKGE Cc1ccc(NC(=O)c2oc3c(c2C)C(=NNC(=O)c2ccc(Cl)cc2Cl)CCC3)c(C)c1 1772748113 NKUPQWUXDWCQSW-UHFFFAOYSA-N 484.383 6.234 50 10 JKGE N#CC1=C(N)Oc2c(c(-c3ccccc3)nn2Cc2ccc(Cl)c(Cl)c2)[C@H]1c1cccc(O)c1 1865681777 WTXBFNJNIHCQJI-QFIPXVFZSA-N 489.362 5.829 50 10 JKGE N#CC1=C(N)Oc2c(c(-c3ccccc3)nn2Cc2cccc(Cl)c2)[C@@H]1c1cccc(Cl)c1 1865684537 ZZYMAEOUCYPAIV-JOCHJYFZSA-N 473.363 6.123 50 10 JKGE CCc1nn(Cc2ccc(Cl)c(Cl)c2)c2c1[C@@H](c1c(F)cccc1Cl)C(C#N)=C(N)O2 1865685052 CZQKRMLWZPENFR-GOSISDBHSA-N 477.754 5.811 50 10 JKGE Cc1nn(-c2ccc(Cl)c(Cl)c2)c2c1[C@H](c1cn(C)c3ccccc13)C(C#N)=C(N)O2 1865699032 IYHARFSJASOCQE-NRFANRHFSA-N 450.329 5.197 50 10 JKGE N#CC1=C(N)Oc2c(c(C(F)(F)F)nn2-c2ccc(Br)cc2)[C@H]1c1ccc(F)cc1F 1865702014 KRZUFRKXNAGPDQ-HNNXBMFYSA-N 497.221 5.150 50 10 JKGE CCC[C@@H](NC(=O)[C@@H](c1ccc(Br)cc1)C(C)C)C(=O)Nc1ccc(SC#N)cc1 1866975942 VSQBGBHJCSACQF-NHCUHLMSSA-N 488.451 5.685 50 10 JKGE CCCC[C@@H](NC(=O)CCC(=O)c1ccc(C)cc1C)C(=O)Nc1ccc(SC#N)cc1 1867091785 OOMBGMLVDSGVDR-JOCHJYFZSA-N 451.592 5.153 50 10 JKGE COCCc1nc(Nc2ccc(SC#N)cc2)cc(N2CCc3cc4cccc(C)c4nc32)n1 1868253495 JFRRMPKYMMRGHE-UHFFFAOYSA-N 468.586 5.533 50 10 JKGE COc1ccc(-c2csc(/C(C#N)=C(\O)COc3ccc(OC)cc3C(C)(C)C)n2)cc1 1872745833 FSJPPOWVPMNHLA-QOCHGBHMSA-N 450.560 5.996 50 10 JKGE CCc1cccc(CC)c1N1C[C@H](/C(O)=C(\C#N)c2nc(-c3ccc(OC)cc3)cs2)CC1=O 1872746110 SHJUNLDCLSFEOY-NTKFOSSBSA-N 473.598 5.789 50 10 JKGE N#C/C(=C(/O)CCCOc1ccc(Cl)cc1Cl)c1nc(-c2cccc(Cl)c2)cs1 1872748318 SFVJFZRALWQMGU-MNDPQUGUSA-N 465.789 7.422 50 10 JKGE N#C/C(=C(O)\C(=C/c1ccccc1)c1ccccc1)c1nc(-c2ccc(Oc3ccccc3)cc2)cs1 1872753732 KMECJNHZRRTCAO-GZNRKZGXSA-N 498.607 8.636 50 10 JKGE N#C/C(=C\c1ccc(OCc2ccccc2Cl)cc1)c1nc(-c2cccc(Cl)c2)cs1 1872789999 DPQJBMQZXPQCKU-UDWIEESQSA-N 463.389 7.760 50 10 JKGE O=C(N[C@H](CBr)[C@H]1CC=CCC1)c1cc(Br)c(Br)s1 1885073708 UYGHITRWCCOZIX-WCBMZHEXSA-N 472.040 5.123 50 10 JKGE C[C@@H]1C[C@@H]1[C@@H](Cl)c1c(Br)c(Br)cc(Br)c1Br 1898079307 ZUIMWYNZRULHSE-QWMRMABFSA-N 496.262 6.673 50 10 JKGE COc1cc([C@@H](Br)c2cc(C)c(Br)o2)c(OC)cc1Br 1917611374 DJOBYVKQZXAOBW-CYBMUJFWSA-N 468.967 5.615 50 10 JKGE COc1ccc(C)cc1[C@H](Br)c1sc(Br)c(C)c1Br 1922900514 JBOKVVNJNCKMIT-LBPRGKRZSA-N 469.036 6.383 50 10 JKGE CC(C)Oc1cccc([C@H](Cl)c2c(Br)sc(Br)c2Cl)c1 1923048041 DWFOUJPAMKNTDB-NSHDSACASA-N 459.030 7.042 50 10 JKGE Cl[C@@H](Cc1ccncc1Br)c1cc(Br)c(Br)s1 1924038281 CJRVAHFWNWNQFF-VIFPVBQESA-N 460.416 5.953 50 10 JKGE Clc1cc(Br)ccc1[C@H](Br)Cc1ccncc1Br 1924053273 SAMBGHSGKOCHOI-LLVKDONJSA-N 454.387 5.939 50 10 JKGE C[C@H]1COc2ccc([C@@H](Cl)c3cc(Br)ccc3I)cc21 1925732883 APTGJTWABBSPSR-XXFAHNHDSA-N 463.540 5.878 50 10 JKGE Clc1cc([C@H](Br)c2sncc2Br)sc1Br 1928068706 PSQGGHCZYZKJCV-LURJTMIESA-N 452.418 5.867 50 10 JKGE CCC(=O)[C@H](Br)Cc1cc(Br)c(Br)c(Br)c1 1938597251 YEENHJNSQBLNNZ-SSDOTTSWSA-N 477.816 5.259 50 10 JKGE CC(C)(CC(F)(F)F)[C@H](Br)c1cc(Br)c(Br)s1 1941573621 QTGVZVVLDDVRPV-SSDOTTSWSA-N 458.963 6.688 50 10 JKGE Cc1cc(Br)sc1[C@H](Cl)c1ccc(Br)cc1Br 1950208986 XDXFGDNREQQWLX-LLVKDONJSA-N 459.428 6.672 50 10 JKGE Brc1sc(Br)c([C@H](Br)CCC2CCC2)c1Br 1976930019 ZDEWJKQUADOKOM-SSDOTTSWSA-N 495.900 7.052 50 10 JKGE Cc1c(Br)ccc([C@@H](Br)c2ccc(Br)o2)c1Br 2024296004 XHASFMOTWONNGS-GFCCVEGCSA-N 487.811 6.360 50 10 JKGE CCc1sc(Br)cc1[C@H](Cl)c1ccc(Br)cc1Br 2030217737 FPTFLRKCSWAPPM-CYBMUJFWSA-N 473.455 6.926 50 10 JKGE CS(=O)(=O)c1csc([C@H](Br)c2csc(Br)c2Br)c1 2032954071 VSNCNRSAIWXHDK-MRVPVSSYSA-N 495.077 5.222 50 10 JKGE FC(F)(F)C[C@H](CBr)NCc1c(Br)cccc1Br 2033093185 GWGZUAXIJUGZFW-SSDOTTSWSA-N 453.922 5.017 50 10 JKGE Cc1nc(C[C@@H](Br)c2cc(Br)cc(Br)c2)sc1C 2085793968 YRUITJJAHRJZTP-GFCCVEGCSA-N 454.025 5.964 50 10 JKGE BrCc1cc(Br)c(OCC(C2CC2)C2CC2)c(Br)c1 2093061858 OVTTZEZSWXKREK-UHFFFAOYSA-N 453.012 5.922 50 10 JKGE Cc1cc([C@H](Br)c2nn(C)c(Cl)c2Br)c(C)cc1Br 2110726602 FMRDXAILUNRLHU-JTQLQIEISA-N 471.418 5.700 50 10 JKGE CC(C)(C)[C@H](C[C@H](Cl)c1c(Br)sc(Br)c1Cl)C(F)F 2111375043 UONKKDVKEKFYHI-RITPCOANSA-N 459.021 7.524 50 10 JKGE Clc1cccc(CC[C@@H](Br)c2cccc(Br)c2)c1Br 2113486067 AHEUELLJUCMPKG-CYBMUJFWSA-N 467.426 6.934 50 10 JKGE Cc1nn(C)c2sc([C@@H](Br)c3cc(Br)c(Br)s3)cc12 2118609997 CTFXKUGMWSVEBA-SNVBAGLBSA-N 485.064 6.014 50 10 JKGE Cc1c([C@H](Br)c2cc(Br)c(Cl)cc2F)c(Br)nn1C 2131590175 MLNGHTLTQJFVPN-LLVKDONJSA-N 475.381 5.530 50 10 JKGE Fc1cc(Br)c([C@@H](Br)c2cc(Cl)c(Cl)s2)c(F)c1Cl 2136965509 ZTNNYZCNSJOBDS-QMMMGPOBSA-N 471.375 7.233 50 10 JKGE FC(F)(F)c1sccc1[C@@H](Br)c1ccc(Br)cc1Br 2138865870 RWECKYQAIPAQSG-JTQLQIEISA-N 478.953 6.776 50 10 JKGE Clc1cc(CC[C@@H](Br)c2ccccc2Cl)ccc1I 2142941915 ZMAUMCTWGBPOPI-GFCCVEGCSA-N 469.975 6.667 50 10 JKGE Cc1cc(Br)c(F)c([C@@H](Cl)c2cc(Br)c(C)cc2Br)c1 2145599576 DUOWSFUABYYIQB-AWEZNQCLSA-N 485.416 7.058 50 10 JKGE COc1cc(Br)c(C)cc1[C@@H](Cl)Cc1ccccc1I 2145964490 XYCYGMPDEATRJU-AWEZNQCLSA-N 465.556 5.893 50 10 JKGE COc1cc(Br)c([C@@H](Br)c2scc(Cl)c2Cl)cc1OC 2152524672 WWZQBOBSZSSTNP-LLVKDONJSA-N 461.002 6.319 50 10 JKGE Clc1cccc(Br)c1[C@@H](Br)c1cc(Br)cc2c1OCC2 2169461070 HGGXANMPJHDIMS-AWEZNQCLSA-N 481.409 6.284 50 10 JKGE COCCOc1ccc([C@@H](Br)c2cc(Br)cs2)cc1Br 2172564429 IACGCEJYEGUGMS-CQSZACIVSA-N 485.035 5.783 50 10 JKGE Br[C@@H](c1cc(I)sn1)c1ccc2c3c(cccc13)CC2 2176539955 SSMVZBHFCPUMLU-MRXNPFEDSA-N 456.146 5.484 50 10 JKGE CC[C@H]1CC[C@H](CC(CBr)(CBr)c2ccccc2Br)O1 2201413901 SDHPOTBYLMZIDU-QWHCGFSZSA-N 469.055 5.824 50 10 JKGE COc1cc(F)c(F)cc1[C@H](Br)c1ccc(Br)cc1Br 2204499719 YHLIHGHFYQAESP-CQSZACIVSA-N 470.933 5.983 50 10 JKGE CCCCC[C@@H](CC)O[C@](C)(CI)c1ccccc1Br 2207470690 TZLIYRFOAYIBMK-RHSMWYFYSA-N 453.202 6.475 50 10 JKGE C[C@@H](CBr)N(Cc1ccccc1)C(=O)Cc1ccc(Br)cc1Cl 2211871047 JPJOBRQLCFWXJB-ZDUSSCGKSA-N 459.609 5.457 50 10 JKGE Fc1cc(Br)cc(CCl)c1OC[C@H]1CC1(Br)Br 2213082783 IOSQOWAOFVGMNK-SSDOTTSWSA-N 451.355 5.212 50 10 JKGE Cc1c(Br)csc1[C@H](Cl)c1sc(Br)c(C)c1Br 2213774208 LZXQCAUDUJNDJR-QMMMGPOBSA-N 479.484 7.042 50 10 JKGE FC(F)C1CC([C@H](Cl)c2c(Br)sc(Br)c2Br)C1 2217482870 OBBHENPSVCLTCH-HPCLJJITSA-N 473.402 6.607 50 10 JKGE COc1ccc([C@@H](Br)c2ccc(C)c(I)c2)c(Cl)c1 2224621362 BTVLAMQELMIRDD-HNNXBMFYSA-N 451.529 5.746 50 10 JKGE COc1ccc([C@H](Br)c2ccc(C)c(I)c2)cc1Cl 2224621541 FIQWCPOFOAHHKT-HNNXBMFYSA-N 451.529 5.746 50 10 JKGE Cc1c(Br)sc([C@H](Br)[C@@H]2OC[C@@H]3CCCC[C@H]32)c1Br 2224935089 AJSJUZZJKRIBBV-LUTQBAROSA-N 473.068 6.223 50 10 JKGE COc1cccc([C@@H](Br)c2c(Br)cc(Cl)c(Cl)c2Cl)c1 2232513658 RKSHRQJKELDTJV-GFCCVEGCSA-N 459.392 6.902 50 10 JKGE Cc1c(Br)ccc([C@H](Br)[C@@H]2C[C@H]3CCC[C@H](C3)C2)c1Br 2233655765 KFMZENFHPJUOAS-ZOPJHEKZSA-N 465.067 7.172 50 10 JKGE COc1c(Br)cc(C)cc1[C@@H](Cl)c1cc(C)ccc1I 2240999808 DCAGJGFUMCREBU-HNNXBMFYSA-N 465.556 6.007 50 10 JKGE Cc1sc([C@@H](Br)c2ccc(Cl)c(Br)c2)c(Br)c1C 2253506492 YBQOUUKRAYQWBJ-LBPRGKRZSA-N 473.455 7.028 50 10 JKGE Cc1cc2c(nc(CCCl)n2CCCN(Cc2ccccc2)Cc2ccccc2)c(C)c1F 2264471614 QWWGBHQTZFQGQN-UHFFFAOYSA-N 464.028 6.666 50 10 JKGE COc1cc(C)c(Br)c(C)c1[C@H](Br)c1ccsc1Br 2269626161 XZHZHHJBTIQCHA-CYBMUJFWSA-N 469.036 6.383 50 10 JKGE CCc1ccc(CC)c([C@H](Br)c2ccc(Cl)c(I)c2)c1 2283573978 MGYOBBSABMQILZ-QGZVFWFLSA-N 463.584 6.554 50 10 JKGE Cc1c(CBr)cccc1NC(=O)c1ccc(Cl)c(I)c1 2283666501 ZROFUADRVVQDSI-UHFFFAOYSA-N 464.528 5.400 50 10 JKGE Cc1cc(C=C(C#N)C(=O)Nc2ccc3ccccc3c2)c(C)n1-c1ccc(-c2ccccc2)cc1 2294168459 MAKGBQWQMJNPNI-UHFFFAOYSA-N 467.572 7.460 50 10 JKGE O=CC(=CNc1ccc(S(=O)(=O)Nc2ccc(Br)cc2)cc1)c1nc2ccccc2o1 2297532515 OYLIIBCXXJVQSZ-UHFFFAOYSA-N 498.358 5.043 50 10 JKGE C[C@@H]1C[C@H](Br)C[C@H](Cc2ccc(I)c(Br)c2)C1 2306199908 RGPLJCRZNJGHKD-DLOVCJGASA-N 472.002 5.796 50 10 JKGE C[C@@H]1CCC[C@@H](Cc2ccc(I)c(Br)c2)[C@H]1Br 2306200496 YHTOJHLMWHLKBD-PUYPPJJSSA-N 472.002 5.796 50 10 JKGE N#CC(=Cc1cc(Cl)ccc1OCc1ccc(Cl)cc1)C(=O)Nc1cccc(C(F)(F)F)c1 2313730488 WENGPGSPXJNODD-UHFFFAOYSA-N 491.296 7.137 50 10 JKGE Fc1ccc([C@H](Cl)c2cc(Br)ccc2OCc2ccccc2)c(Br)c1 2314447727 BFWGUDAEUHDZRU-FQEVSTJZSA-N 484.590 7.258 50 10 JKGE N#CC(=Cc1ccc(-c2cccc([N+](=O)[O-])c2)o1)C(=O)Nc1cc(C(F)(F)F)cc(C(F)(F)F)c1 2314571715 KSJOQXDGZPGRQV-UHFFFAOYSA-N 495.335 6.438 50 10 JKGE CCc1ccc(N2C(=O)[C@H](Cc3ccc(C)c(C)c3)SC2=C(C#N)C(=O)Nc2ccccc2C)cc1 2314592576 YAIYCFCVKFYANF-MHZLTWQESA-N 495.648 6.239 50 10 JKGE CNC(=O)C(C#N)=C1S[C@H](Cc2cccc(C(F)(F)F)c2)C(=O)N1c1ccc(C(C)C)cc1 2314593521 OJWSQEOZJFJDSV-HXUWFJFHSA-N 473.520 5.001 50 10 JKGE CCCCCCOc1ccc(C=C2C(=O)N(Cc3ccccc3)C(=O)C(C#N)=C2C)cc1OC 2314617882 CJASTKHDTBQMKR-UHFFFAOYSA-N 458.558 5.447 50 10 JKGE N#CC1=C(N)Oc2cc(OC(=O)C=Cc3ccc(Cl)cc3Cl)ccc2[C@@H]1c1ccc(F)cc1 2314634151 SAQOZRUPSPXNKD-DEOSSOPVSA-N 481.310 5.969 50 10 JKGE CCCCNC(=O)C(C#N)=Cc1ccc(OC(=O)[C@@H](C)Oc2cc(C)c(Cl)c(C)c2)cc1 2314789615 OOFCZGPTTQUCNM-GOSISDBHSA-N 454.954 5.153 50 10 JKGE C[C@@H]1C[C@]2([C@@H](Br)c3c(Cl)cc(Br)c(F)c3Br)C[C@@H]12 2315451444 PEGAIAPZRXPIGK-FEQVJCLUSA-N 461.394 6.486 50 10 JKGE Cc1c(Br)sc([C@@H](Br)[C@H]2COC3(C)CC2C3)c1Br 2315927143 DSJNGRLRUXCLML-SYMYGAKISA-N 459.041 5.833 50 10 JKGE CC1(C)CCC[C@H]([C@@H](Br)c2sc(Cl)cc2I)CC1 2316604788 CLBKPLNTTPYFRN-JOYOIKCWSA-N 461.634 7.049 50 10 JKGE ClCc1cc(Cl)cc(Br)c1OCc1sccc1I 2316756881 IIPWACFNHCJNFW-UHFFFAOYSA-N 477.976 6.086 50 10 JKGE COc1ccc(C)c([C@H](Br)c2sc(Cl)cc2I)c1 2316777558 OGEIKLATHWPWBE-LBPRGKRZSA-N 457.558 5.807 50 10 JKGE CCc1cc([C@@H](Cl)c2ccc(Cl)cc2I)sc1Br 2317778462 NIMCZIDMWHNOBP-LBPRGKRZSA-N 476.004 6.659 50 10 JKGE CCCCc1ccc(NC(=O)C(C#N)=CNc2ccc(I)cc2C)cc1 2324470974 DQCXDXXMZJLBJR-UHFFFAOYSA-N 459.331 5.400 50 10 JKGE N#CC(=CN(Cc1ccccc1)c1ccccc1)C(=O)Nc1ccccc1Sc1ccccc1 2325339462 WNSWVEKWWRNHMN-UHFFFAOYSA-N 461.590 6.891 50 10 JKGE COc1ccc(OC)c(C=CC(=O)NNC(=O)c2ccc(-c3ccc4ccccc4c3)s2)c1 2328785237 WZADEMJSPMPPLA-UHFFFAOYSA-N 458.539 5.060 50 10 JKGE N#CC(=Cc1ccc(Br)cc1)C(=O)Nc1ccc(Cl)cc1C(=O)c1ccccc1 2329661900 AFDOILUTKGGPEG-UHFFFAOYSA-N 465.734 5.879 50 10 JKGE COc1ccc(-c2csc(C(C#N)=C(O)[C@H]3CC(=O)N(c4cc(Cl)ccc4OC)C3)n2)cc1 2331273607 UFMSIHMGBUOJCT-HNNXBMFYSA-N 481.961 5.326 50 10 JKGE CC[C@H](C)[C@@H](C(O)=C(C#N)c1nc(-c2ccc(OC)cc2)cs1)N1C(=O)c2ccccc2C1=O 2331276354 LYXHOHJJTPQEKM-NYHFZMIOSA-N 473.554 5.322 50 10 JKGE Cc1cc(C)c(C)c(-c2csc(C(C#N)=C(O)[C@@H](C)Oc3ccc(Cl)cc3Cl)n2)c1C 2331366275 IJDAOPVEZKEENN-MRXNPFEDSA-N 473.425 7.611 50 10 JKGE Cc1ccc(-c2csc(C(C#N)=C(O)c3ccc4c(c3)C(=O)N(Cc3ccccn3)C4=O)n2)cc1C 2331382167 DRCIVULYFGVBJJ-UHFFFAOYSA-N 492.560 5.568 50 10 JKGE CC(C)(C)c1ccc(-c2csc(C(C#N)=Cc3ccccc3OCc3ccc(Cl)cc3)n2)cc1 2331453542 DIUPBLTUVOPVJY-UHFFFAOYSA-N 485.052 8.404 50 10 JKGE Cc1c(Br)ccc([C@@H](Br)[C@@H]2CCC[C@H]2C(F)F)c1Br 2334501490 BTELGBWCIUOUGG-KKFJDGPESA-N 460.982 6.637 50 10 JKGE BrCc1c(Oc2cc(Br)cc(Br)c2)nc2sccn12 2338864442 CBUOKTTYXBOZNQ-UHFFFAOYSA-N 466.980 5.608 50 10 JKGE CC(C)(C)OC(=O)N1CCC(CI)(OCCC2CCCCCCC2)CC1 2342405386 VPNVQRTXUUIWQN-UHFFFAOYSA-N 479.443 5.958 50 10 JKGE Cc1cccc([C@H](CBr)Cc2ccc(I)c(Br)c2)c1 2349851434 KGFQLRALWFHEBM-AWEZNQCLSA-N 494.008 6.083 50 10 JKGE FC1(F)C[C@](CBr)(Cc2ccc(Cl)c(I)c2)C12CCC2 2362373566 OTFMJEYVCGJZIN-ZDUSSCGKSA-N 475.542 6.078 50 10 JKGE Fc1ccc(C(F)F)c([C@H](Br)c2ccc(Br)cc2Br)c1 2363686238 FSKRSAXUEBUSBM-CYBMUJFWSA-N 472.924 6.773 50 10 JKGE COc1c(C)cc(C)cc1[C@@H](Br)c1c(Br)c(Br)nn1C 2364235362 OPJQSGYRQHCRLR-SNVBAGLBSA-N 466.999 5.055 50 10 JKGE Cc1cc(Br)c(F)c(Br)c1[C@@H](Br)c1cc(F)ccc1F 2365194251 PJNKTHNMVGLXTJ-LBPRGKRZSA-N 472.924 6.422 50 10 JKGE COc1c(Br)cc(C)c([C@H](Br)CCCC(F)(F)F)c1Br 2365195674 DNVUQYJEGCKBHC-MRVPVSSYSA-N 482.960 6.697 50 10 JKGE Cc1cc(CBr)cnc1N(C)Cc1c(Br)cccc1Br 2366185467 VWXHKFLIFICRAF-UHFFFAOYSA-N 463.011 5.446 50 10 JKGE O=C(CCCOc1ccc(Cl)cc1Cl)NNC(=O)COc1ccccc1-c1ccccc1 13979950 GYPZQLIHTTXPSP-UHFFFAOYSA-N 473.356 5.046 50 10 JKGE Cc1cc(Oc2nc3c(C)cccn3c(=O)c2/C=C(/C#N)S(=O)(=O)c2ccccc2)ccc1Cl 33368846 MBZRSFXZTPNNBF-ZHZULCJRSA-N 491.956 5.095 50 10 JKGE COc1cc(/C=C2\C(C)=C(C#N)c3nc(N)c(C#N)c(C)c32)cc(Br)c1OC(C)C 33379641 NRMGBMCKOXKWBY-GIDUJCDVSA-N 465.351 5.253 50 10 JKGE Cc1ccc(-c2csc(/C(C#N)=C\c3cc4cc(Br)ccc4nc3Cl)n2)cc1 33391222 XJWQVVWPORDCGS-MFOYZWKCSA-N 466.791 7.147 50 10 JKGE CCOC(=O)/C(C#N)=C/C=C(\c1ccc(Cl)cc1)N1CCN(c2cccc(C(F)(F)F)c2)CC1 33598036 WQQMMHWQEPRAGV-GVEOMPJXSA-N 489.925 5.535 50 10 JKGE CC(C)(C)c1ccc(OCC(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@H]3c2ccc([N+](=O)[O-])cc2)cc1 38654872 WOLSHWGRSDSUQJ-SANMLTNESA-N 499.523 5.095 50 10 JKGE CCCCCOc1ccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4ccc(OC)cc4)ccc32)cc1 38685279 NEDKMXREEBHFLI-HHHXNRCGSA-N 484.552 5.702 50 10 JKGE Cc1ccc2c(C)c(C(=O)Oc3ccc4c(c3)OC(N)=C(C#N)[C@@H]4c3cccs3)oc2c1C 38688428 UBPPANVAOFHKIF-JOCHJYFZSA-N 456.523 5.857 50 10 JKGE CCc1ccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4oc5ccc(F)cc5c4C)ccc32)cc1 38700456 IYTXOKLMGWAFCF-VWLOTQADSA-N 468.484 5.880 50 10 JKGE N#C/C(=C\c1ccc(-c2cc(C(F)(F)F)ccc2Cl)o1)c1nc(-c2cccs2)cs1 39842881 RGFQYQIPAUOEKL-XYOKQWHBSA-N 462.905 7.868 50 10 JKGE COc1ccc(/C=C/C(=O)Oc2ccc(/C=C(\C#N)c3nc(-c4ccccc4)cs3)cc2)cc1 39868064 PTBSZUAORNIJAW-XGJDHLGVSA-N 464.546 6.502 50 10 JKGE Cc1c(C(=O)Nc2cccc3ccccc23)oc2c1/C(=N/NC(=O)c1ccc(F)cc1)CCC2 40811920 HVTHGZSINOKONR-JBASAIQMSA-N 455.489 5.603 50 10 JKGE CCOC(=O)c1c(NC(=O)N/N=C/c2c(Cl)cccc2Cl)sc2c1CC[C@H](C)C2 40851477 OAWCOHQSRICGFW-MOSLJXCSSA-N 454.379 5.512 50 10 JKGE CCCCCOc1ccccc1C(=O)N/N=C1\C(=O)N(Cc2ccccc2F)c2ccccc21 59158041 XZRCCRAVXAGEPP-GNVQSUKOSA-N 459.521 5.076 50 10 JKGE Cc1cccc(COc2ccc(Cl)cc2/C=C(/C#N)C(=O)Nc2cc(Cl)ccc2C)c1 59224758 SINZEDJDCKBFRP-JAIQZWGSSA-N 451.353 6.735 50 10 JKGE COc1ccccc1OCC(=O)N/N=C/c1cc(Br)c(Sc2ccc(Cl)cc2)o1 59250443 RWYBJIKLPANFFS-FOKLQQMPSA-N 495.782 5.384 50 10 JKGE Cc1ccc(COc2ccccc2/C=N/NC(=O)c2cc3cc(Br)ccc3o2)cc1 59304875 YAHCFCLDGXLYIP-VULFUBBASA-N 463.331 5.847 50 10 JKGE CCCCC1CCC(C(=O)Nc2ccc(C(=O)[C@@H](Br)C(C)C)cc2OCC)CC1 71432810 DGTMNQPMZAEEHM-IRZJEQJZSA-N 466.460 6.623 50 10 JKGE CCCN1C(=O)C(C#N)=C(C)/C(=C\c2cn(-c3ccccc3)nc2-c2cc(C)ccc2C)C1=O 101332763 JRZXBUGTDWPCGE-BUVRLJJBSA-N 450.542 5.158 50 10 JKGE Brc1cc([C@H](Br)c2ccc3c(c2)CCO3)c(Br)s1 109870122 JAEPXLDRDFHSSF-GFCCVEGCSA-N 452.993 5.692 50 10 JKGE Fc1ccc(Br)c(CC(CCl)(CCl)c2cccc(Br)c2)c1 118874889 POEJBCMFRGFIRS-UHFFFAOYSA-N 454.992 6.309 50 10 JKGE COc1ccc2cc([C@@H](Br)c3csc(I)c3)ccc2c1 124427566 QNIXDLRWKWEHAB-MRXNPFEDSA-N 459.146 5.999 50 10 JKGE COc1ccc2cc([C@H](Br)c3cc(Br)c(Br)s3)ccc2c1 128557559 ASNNUCRWVZNMDQ-HNNXBMFYSA-N 491.042 6.919 50 10 JKGE Cc1ccc([C@@H](Cl)c2cc(Br)sc2Br)cc1Br 130427748 JMLUZIQRXIHNIL-LLVKDONJSA-N 459.428 6.672 50 10 JKGE C[C@@](CBr)(NC(=O)c1cc(Br)ccc1Br)c1ccccc1 134451229 JRCNBZUUSLNLNZ-INIZCTEOSA-N 476.006 5.252 50 10 JKGE N#C/C(=C/Nc1cc(C(F)(F)F)cc(C(F)(F)F)c1)C(=O)Nc1ccc(Cl)c(Cl)c1 217005450 PJVZISYHVUUWRE-HJWRWDBZSA-N 468.184 6.489 50 10 JKGE CCOc1ccc([C@@H](Br)c2ccc(Br)cc2OC)cc1Br 228992392 VACHIICCSCMUAM-MRXNPFEDSA-N 479.006 6.103 50 10 JKGE C[C@@H]1CC[C@@H](CC(CBr)(CBr)c2cccc(Br)c2)O1 232063451 IIOOUXJYTXGAIC-RISCZKNCSA-N 455.028 5.434 50 10 JKGE Cc1cc([C@@H](Cl)c2ccc(I)c(Cl)c2)sc1Br 232344569 FOCKEZJYOGJBIU-NSHDSACASA-N 461.977 6.405 50 10 JKGE COc1ccc(COc2c(Br)cc(CBr)cc2Br)cc1 234936904 PNRMCUZZOWRFTE-UHFFFAOYSA-N 464.979 5.694 50 10 JKGE COc1ccc([C@@H](Cl)c2cc(I)ccc2Br)c(Cl)c1 234979505 WQBVFSLEHDKUHR-CQSZACIVSA-N 471.947 6.044 50 10 JKGE C[C@H]1Cc2cc([C@@H](Cl)c3cc(I)ccc3Br)ccc2O1 235768498 DNHFAOYCDVFGPM-XXFAHNHDSA-N 463.540 5.705 50 10 JKGE Fc1ccc([C@@H](Br)c2cc(Br)c(Cl)s2)cc1Br 236169520 CEVANBXWVFSCDJ-SNVBAGLBSA-N 463.391 6.550 50 10 JKGE Fc1cc(F)c([C@H](Cl)c2cc(I)ccc2Br)c(F)c1 236263927 GIWZLSGGIKMZMQ-CYBMUJFWSA-N 461.446 5.799 50 10 JKGE CCCC(=NNC(=O)c1cc(-c2ccc(C)c(C)c2)nc2ccccc12)c1ccc(Cl)s1 252643862 ZXYNGKHPLUAIBO-UHFFFAOYSA-N 462.018 7.168 50 10 JKGE C/C(C=NNC(=O)CSc1nnc(-c2ccc(Cl)cc2)n1-c1ccccc1)=C\c1ccccc1 254515119 YUARXJSCWJBTDZ-BCXMZQODSA-N 488.016 5.885 50 10 JKGE COc1cccc(COc2ccccc2C=NNC(=O)c2ccc(-n3c(C)ccc3C)cc2)c1 254583329 NLWHPSFCSZUHOG-UHFFFAOYSA-N 453.542 5.446 50 10 JKGE COc1ccc(C(C)=NNC(=O)CSc2nc3ccccc3n2Cc2ccc(C)cc2)cc1 254844782 NFGRRUGFSYWIQR-UHFFFAOYSA-N 458.587 5.034 50 10 JKGE Cc1sc(Br)cc1[C@@H](Br)c1ccc(OCc2ccccc2)cc1 309884554 YJAIBWGWBFFWHZ-IBGZPJMESA-N 452.211 6.882 50 10 JKGE C[C@H](Br)C[C@H]1CCCN1C(=O)c1cc(Br)c(Br)s1 310658880 CSRFABIWWMTVAK-JGVFFNPUSA-N 460.029 5.051 50 10 JKGE O=C(OCc1ccccc1)N1C[C@H](CBr)[C@H](c2cc(Br)ccc2F)C1 382685892 FLSAERHRGPRAEP-WMLDXEAASA-N 471.164 5.335 50 10 JKGE Cc1cccc([C@H](Br)c2scc(C(F)(F)F)c2Br)c1Br 383549982 GZFQBYQDHJLPDX-JTQLQIEISA-N 492.980 7.085 50 10 JKGE Cc1cc([C@H](Br)c2cc(Br)ccc2I)c(C)cc1F 386415724 KOVZXMVDZIOUKT-HNNXBMFYSA-N 497.971 6.294 50 10 JKGE O=C(N[C@H](CBr)Cc1ccccc1)c1scc(Br)c1Br 705416748 AWVOCUQYNHVSRT-JTQLQIEISA-N 482.035 5.009 50 10 JKGE O=C(NN=Cc1ccc(Oc2ccc(C(F)(F)F)cc2[N+](=O)[O-])cc1)c1cc2ccccc2cc1O 1083956074 BKSYTXBJJLETPE-UHFFFAOYSA-N 495.413 6.029 50 10 JKGE N#C/C(=C/c1cc(Cl)ccc1OCc1ccc(Cl)cc1Cl)C(=O)NCc1ccccc1 1084486092 OFVVKJWILHIDOC-GRSHGNNSSA-N 471.771 6.449 50 10 JKGE Cc1c(C(=O)Nc2cc(Cl)ccc2Cl)oc2c1C(=NNC(=O)c1ccccn1)CCC2 1772747981 WUCJKNFECHOIGC-UHFFFAOYSA-N 457.317 5.013 50 10 JKGE N#CC1=C(N)Oc2c(c(C(F)(F)F)nn2Cc2ccccc2Cl)[C@@H]1c1cccc(Cl)c1 1865683903 QBOGKPMCUAABBH-MRXNPFEDSA-N 465.262 5.475 50 10 JKGE CCOc1cc([C@H]2C(C#N)=C(N)Oc3c2c(-c2ccccc2)nn3C)ccc1OCc1ccc(C)cc1 1865688209 NAQHRTYSZNFRLL-SANMLTNESA-N 492.579 5.591 50 10 JKGE CCCOc1ccc([C@@H]2C(C#N)=C(N)Oc3c2c(-c2ccccc2)nn3-c2ccc(Cl)cc2)cc1 1865693808 LYTLRZBWLBLTTB-XMMPIXPASA-N 482.971 6.200 50 10 JKGE CCCOc1ccc([C@H]2C(C#N)=C(N)Oc3c2c(C(F)(F)F)nn3-c2cccc(Cl)c2)cc1 1865694035 OBXLSWFTGLSDBL-SFHVURJKSA-N 474.870 5.551 50 10 JKGE CCCOc1ccccc1[C@H]1C(C#N)=C(N)Oc2c1c(CCC)nn2-c1ccc(Cl)c(Cl)c1 1865703869 HPEYDRORRIFIAT-QFIPXVFZSA-N 483.399 6.139 50 10 JKGE COc1ccc(-c2nn(-c3ccc(Cl)cc3)c3c2[C@H](c2cccc(OC)c2)C(C#N)=C(N)O3)cc1 1865711684 FULXCHKTCARBER-HSZRJFAPSA-N 484.943 5.428 50 10 JKGE Cc1nc(-c2ccc(Cl)cc2Cl)ccc1C(=O)NNC(=O)CCCc1ccc(Cl)cc1 1865759493 CTYWWMFEPVYUOW-UHFFFAOYSA-N 476.791 5.801 50 10 JKGE CCC[C@@H](NC(=O)[C@H](c1ccc(Cl)c(Cl)c1)C(C)C)C(=O)Nc1ccc(SC#N)cc1 1866991499 NHJAOUBGBZANIT-RTWAWAEBSA-N 478.445 6.230 50 10 JKGE Cc1cc(OC/C(O)=C(\C#N)c2nc(-c3ccc(Oc4ccccc4)cc3)cs2)ccc1Cl 1872753668 IFPFSRLBNNLXHR-LVWGJNHUSA-N 474.969 7.436 50 10 JKGE CCOc1ccc(-c2csc(/C(C#N)=C(\O)c3cc4ccccc4oc3=O)n2)c(OCC)c1 1872755180 BWSQPUANEHIMHB-NMWGTECJSA-N 460.511 5.664 50 10 JKGE COc1c(C)cc(Cl)cc1-c1csc(/C(C#N)=C(\O)c2cc([N+](=O)[O-])ccc2Cl)n1 1872757086 PXMBKXZSHHBPNU-SDXDJHTJSA-N 462.314 6.292 50 10 JKGE N#C/C(=C\c1cc2c(cc1[N+](=O)[O-])OCCO2)c1nc(-c2ccc(Cl)cc2Cl)cs1 1872781833 UQWXGJKKBCPVNT-LFYBBSHMSA-N 460.298 5.860 50 10 JKGE CC(C)[C@H](NC(=O)OC(C)(C)C)C(=O)N/N=C/c1cccc(OCc2ccc(Cl)c(Cl)c2)c1 1873795487 MEWAVZODFRHTQN-HFLRGAGPSA-N 494.419 5.572 50 10 JKGE Cc1cc(-c2csc(/C(C#N)=C(\O)c3ccc(N4CCCC4)c([N+](=O)[O-])c3)n2)ccc1F 1873920970 NXNJNCWERIMFBV-XLNRJJMWSA-N 450.495 5.716 50 10 JKGE C[C@@H]1C[C@H]1[C@H](Br)c1c(Br)sc(Br)c1Br 1897867654 DYYHSGDMMNENJJ-KODRXGBYSA-N 467.846 6.128 50 10 JKGE CC[C@H](Br)CN(Cc1ccccc1)C(=O)c1cc(C)cc(Br)c1F 1915133846 YCBIGWFZZQRUCN-HNNXBMFYSA-N 457.181 5.713 50 10 JKGE CC[C@@H](C)c1ccc(S(=O)(=O)N(Cc2ccccc2)[C@H](CBr)C(C)C)cc1 1915321794 APEFYRFJTNUAGT-XMSQKQJNSA-N 452.458 5.811 50 10 JKGE CC(C)(CBr)N(Cc1ccccc1)C(=O)c1ccc(OCc2ccccc2)cc1 1915765619 MWWPHXIMYQUUJM-UHFFFAOYSA-N 452.392 6.082 50 10 JKGE FC(F)(F)Oc1ccc([C@H](Cl)c2sc(Br)cc2Br)cc1 1922883701 NEAKPWNNDAKGHL-JTQLQIEISA-N 450.501 6.500 50 10 JKGE COCC1([C@H](Br)c2sc(Br)c(C)c2Br)CCCCC1 1922933712 YRHMOSIRRKXKCT-GFCCVEGCSA-N 475.084 6.614 50 10 JKGE C[C@H]([C@H]1CCCO1)[C@@H](Br)c1c(Br)sc(Br)c1Cl 1923066873 WDVNOQGPCUZEBS-ATRFCDNQSA-N 467.448 6.178 50 10 JKGE C[C@@H]1COCC[C@@H]1[C@@H](Br)c1c(Br)sc(Br)c1Cl 1923070762 DLCCIRQKCCIESN-GKROBHDKSA-N 467.448 6.035 50 10 JKGE Cl[C@H](CC[C@H]1CCCCO1)c1c(Br)sc(Br)c1Br 1924589608 CYNCEGRTFHXPCY-HTQZYQBOSA-N 481.475 6.665 50 10 JKGE Cl[C@H](CC[C@@H]1CCCCO1)c1c(Br)sc(Br)c1Br 1924589609 CYNCEGRTFHXPCY-JGVFFNPUSA-N 481.475 6.665 50 10 JKGE Clc1cc(Br)c([C@@H](Cl)c2sccc2I)s1 1933589692 QYRHLAAPJNGWDE-SSDOTTSWSA-N 453.979 6.158 50 10 JKGE CCCC(CBr)(CBr)Cc1c(Br)cccc1Br 1945328159 ZCPNRCNKHXJJHD-UHFFFAOYSA-N 491.887 6.330 50 10 JKGE CC[C@H]1CN(c2ccc(CBr)cc2Br)CCN1Cc1ccccc1 1946745076 UQJLPKGSSDOPFN-SFHVURJKSA-N 452.234 5.445 50 10 JKGE CO[C@@H]1C[C@]2([C@@H](Cl)c3c(Br)sc(Br)c3Br)C[C@@H]12 1951248043 XPLONYUTCDOOPX-QLPOTSPLSA-N 465.432 5.741 50 10 JKGE Cc1cc(Br)sc1[C@H](Br)c1cc(Br)c(Cl)s1 1981401860 PJULOXOZLKFDKC-MRVPVSSYSA-N 465.457 6.781 50 10 JKGE CC(C)(C)[C@@H](CBr)CNC(=O)c1scc(Br)c1Br 2029725660 YIQPDFTZZZSWBO-ZETCQYMHSA-N 462.045 5.060 50 10 JKGE Clc1ccc(C[C@H](Br)c2csc(Br)c2Br)cc1Cl 2032953952 TUXIGIWXEDTFNP-QMMMGPOBSA-N 493.873 7.259 50 10 JKGE CN(c1ccc(Br)cc1CBr)[C@H]1CC(C)(C)[C@@H]1OCc1ccccc1 2038794283 JVLOOVUQAVCABE-VQTJNVASSA-N 467.245 6.164 50 10 JKGE CN1C(=C(C#N)C(=O)CSc2nnc(-c3ccco3)n2-c2ccccc2)Sc2ccccc21 2040463467 ADFMRESUHZJKAS-UHFFFAOYSA-N 471.567 5.166 50 10 JKGE Brc1cc(Br)c([C@H](Br)c2ccccc2C2CC2)s1 2042275022 JGEQQRASCOSJKE-CYBMUJFWSA-N 451.021 6.635 50 10 JKGE CCc1cc(Br)c([C@@H](Br)c2nc(CC)sc2Br)s1 2050331676 PXBRZNWXXFNKKB-VIFPVBQESA-N 474.081 6.339 50 10 JKGE Brc1cc([C@@H](Br)c2ccc3sncc3c2)sc1Br 2057032630 VXBILRKOYZYKBX-NSHDSACASA-N 468.033 6.367 50 10 JKGE Cc1cc([C@H](Br)c2c(Br)sc(C)c2C)ccc1Br 2082883379 FOPJXKBBXVFZCC-ZDUSSCGKSA-N 453.037 6.683 50 10 JKGE CC1(C)CC[C@H](CBr)N1C(=O)c1csc(Br)c1Br 2084952844 UHZJJUCRWVWBLI-SSDOTTSWSA-N 460.029 5.051 50 10 JKGE C[C@]1(C2CC2)CN(c2ccc(Br)cc2CBr)CCN1Cc1ccccc1 2094732773 MLBGTLZCCAQYAU-JOCHJYFZSA-N 478.272 5.835 50 10 JKGE O=C(c1csc(Br)c1Br)N1C[C@@H](Br)CC2(CCC2)C1 2094996678 ICBQHPIINJLUPH-QMMMGPOBSA-N 472.040 5.053 50 10 JKGE Cc1cc([C@H](Br)c2c(Br)sc(C)c2C)c(C)cc1Br 2101004271 TYWCLHPBIVTPPH-AWEZNQCLSA-N 467.064 6.991 50 10 JKGE FC1(F)CCCCC[C@@H]1[C@@H](Br)c1c(Cl)sc(Br)c1Cl 2108666214 UVEVFQDKCDWJEY-HTRCEHHLSA-N 457.005 7.469 50 10 JKGE Cc1c(Br)sc([C@@H](Br)[C@H]2CCn3nccc3C2)c1Br 2108965478 LHVLJAUXBVHACK-KWQFWETISA-N 469.040 5.477 50 10 JKGE Cc1nc([C@@H](Br)c2scc(C(F)(F)F)c2Br)c(Br)s1 2113184863 JZFYRPRXNAOIBR-ZCFIWIBFSA-N 499.997 6.541 50 10 JKGE Cc1cc(Br)c([C@H](Br)C(F)(F)[C@@H]2CCOC2)cc1Br 2128824897 YMEKHCQAYGCGEP-PELKAZGASA-N 462.954 5.628 50 10 JKGE Cc1cc(Cl)c([C@H](Cl)c2ccc(I)c(Br)c2)cc1Cl 2136694742 PKGIKOGDYRQAPL-CQSZACIVSA-N 490.393 6.997 50 10 JKGE CC1(CC(CBr)(CBr)c2cccc(Br)c2)CCOCC1 2143857694 QQOAPRYDBFTCHD-UHFFFAOYSA-N 469.055 5.684 50 10 JKGE O=C(N[C@@H]1CCCC[C@H]1CCBr)c1cc(Br)ccc1Br 2146721292 YNWBBQCJIKTTMW-IINYFYTJSA-N 468.027 5.285 50 10 JKGE C[C@@](CBr)(NC(=O)c1csc(Br)c1Br)c1ccccc1 2150344284 HJACNTMSRRQOBI-AWEZNQCLSA-N 482.035 5.313 50 10 JKGE Cc1csc([C@H](Br)c2ccc(Br)c3ccccc23)c1Br 2157035678 NFXUOSYTCIMTIF-OAHLLOKOSA-N 475.043 7.219 50 10 JKGE CC1CCC2(CC1)[C@@H](Br)C[C@@H]2Oc1ccc(Br)cc1Br 2157074404 CSZJJVLSBIOXHQ-SIBYTZNVSA-N 467.039 6.323 50 10 JKGE Cc1c([C@H](Br)c2c(Br)cc(F)c(F)c2F)nn(C)c1Br 2168219314 ZMIKMVVWKRTQJA-MRVPVSSYSA-N 476.916 5.155 50 10 JKGE Cc1cc(Br)c([C@H](Br)C2(C(F)(F)F)CCCC2)cc1Br 2173214523 LBSCAMFTVYFFSN-LBPRGKRZSA-N 478.972 7.079 50 10 JKGE Cc1cc([C@@H](Br)c2c(Br)cc(F)c(Cl)c2F)ccc1Br 2201619187 OOQVQKZRZGZXOY-GFCCVEGCSA-N 489.379 6.936 50 10 JKGE COc1c(C)cc(Br)cc1[C@H](Br)c1ccc(Cl)c(Br)c1 2206572928 YODXCURNFCZSJP-CQSZACIVSA-N 483.425 6.666 50 10 JKGE FC(F)(F)[C@@H]1CC[C@@H]1[C@H](Br)c1sc(Br)cc1Br 2212877188 JOICAUPBHCPSPM-UUEMRFSQSA-N 456.947 6.298 50 10 JKGE CCCOC1([C@H](Br)c2c(Br)cc(C)c(Br)c2C)CC1 2227351410 MEXAZUXWJSIEDH-CQSZACIVSA-N 455.028 6.224 50 10 JKGE Fc1cc(F)c([C@H](Cl)c2scc(Br)c2Br)c(F)c1Br 2227803382 BDDOYVYBIPPAMY-VIFPVBQESA-N 499.371 6.781 50 10 JKGE Cc1cc([C@H](Br)c2c(F)cc(F)c(Br)c2F)sc1Br 2227807037 JXVLLUJYRFMFDK-JTQLQIEISA-N 478.953 6.483 50 10 JKGE Cc1c(Br)sc([C@@H](Br)Cc2ccc(Br)cc2Cl)c1C 2229150220 FNFQYGGJGVMAFX-NSHDSACASA-N 487.482 7.222 50 10 JKGE CCOCc1cc(Br)c([C@@H](Cl)c2ccc(C)c(I)c2)s1 2233036397 VQXUPALUXGMJCM-AWEZNQCLSA-N 485.612 6.288 50 10 JKGE Fc1cc(Br)c(Br)cc1[C@H](Br)[C@@]12CCCC[C@H]1OCC2 2233978058 YMGBZXRCTFWQNM-QLFBSQMISA-N 471.002 6.136 50 10 JKGE Cn1ncc2cc([C@H](Br)c3cc(Br)c(Br)cc3F)sc21 2233978251 ZPNSCCQOJFHFKO-GFCCVEGCSA-N 482.998 5.783 50 10 JKGE Cc1cccc([C@H](Br)c2c(Br)cc(C)c(Br)c2C)c1F 2235604640 OQPCOOXATVLGTA-HNNXBMFYSA-N 464.998 6.760 50 10 JKGE Cc1cc(Br)c([C@@H](Br)[C@H]2CCCC(C)(C)O2)c(C)c1Br 2235615946 WQVKWPOKHPEPMV-DOMZBBRYSA-N 469.055 6.612 50 10 JKGE Cc1nn(C)c([C@H](Br)c2scc(C(F)(F)F)c2Br)c1Cl 2240928655 DOFPNWASSHYZNR-ZETCQYMHSA-N 452.521 5.709 50 10 JKGE Fc1cc(Br)c(Cl)cc1[C@@H](Cl)c1c(F)cccc1I 2267736694 DOCRRPAWZLRLNZ-CYBMUJFWSA-N 477.901 6.314 50 10 JKGE Cn1ncc(Cl)c1[C@H](Br)c1c(F)cc(Br)c(F)c1Br 2272726251 LOQSYPNKLLRNMW-SECBINFHSA-N 479.344 5.361 50 10 JKGE COc1ccc([C@H](Br)c2cc(F)c(Br)cc2Cl)c(Br)c1 2282899694 SDAFALOVBHTPOW-AWEZNQCLSA-N 487.388 6.497 50 10 JKGE Clc1cc([C@H](Br)c2cccc(Cl)c2Br)c(Cl)c(Cl)c1Cl 2283200905 XNFNGJYDZBNGGT-SECBINFHSA-N 498.256 8.200 50 10 JKGE COc1ccc(C=C(C#N)C(=O)Nc2ncc(Cc3ccc(Br)cc3)s2)cc1 2293038465 DZXVOUVPNYWPLM-UHFFFAOYSA-N 454.349 5.051 50 10 JKGE CCOC(=O)c1sc(NC=C(C#N)c2nc(-c3ccc(F)cc3)cs2)c(C(=O)OCC)c1C 2296790043 KRXJEICRXZUHJP-UHFFFAOYSA-N 485.562 5.649 50 10 JKGE CC(C)Cc1ccc(-c2csc(C(C#N)=CNc3cc(C(F)(F)F)ccc3Cl)n2)cc1 2296790114 PIOMUGGGKFRMAQ-UHFFFAOYSA-N 461.940 7.657 50 10 JKGE FC(F)(F)C1([C@@H](Br)c2cc(Br)ccc2OCc2ccccc2)CC1 2299505170 UMEDXRXTWJONTN-INIZCTEOSA-N 464.119 6.807 50 10 JKGE Cc1cc(Br)c([C@@H](Cl)c2ccc(Cl)cc2I)s1 2301796107 YSUXWWZSRAHWIA-NSHDSACASA-N 461.977 6.405 50 10 JKGE Cc1ccc(NC(=O)C(C#N)=Cc2cc(C)n(-c3ccc(I)c(C)c3)c2C)cc1 2313567564 IGPJUEJXQBQISK-UHFFFAOYSA-N 495.364 5.861 50 10 JKGE CN(C)C(=O)C(C#N)=Cc1cc(Br)c(OCc2ccccc2Cl)c(Br)c1 2313567936 PXRULWOHSAORPL-UHFFFAOYSA-N 498.602 5.439 50 10 JKGE COc1cc(C=C(C#N)C(=O)Nc2ccc(F)cc2)ccc1OCc1c(Cl)cccc1Cl 2313630232 ASGNTVQYQAAKSV-UHFFFAOYSA-N 471.315 6.266 50 10 JKGE Cc1cc(C)nc(Sc2ccc(C=C(C#N)C(=O)Nc3ccc(Cl)cc3)cc2[N+](=O)[O-])n1 2313670500 AZQYFFVNZXSWKV-UHFFFAOYSA-N 465.922 5.352 50 10 JKGE COc1ccccc1NC(=O)C(C#N)=Cc1cc(Br)ccc1OCc1ccccc1 2313676606 IYIUCESQEFIJMP-UHFFFAOYSA-N 463.331 5.582 50 10 JKGE FC1([C@H](Br)c2cc(Br)ccc2OCc2ccccc2)CC2(CCC2)C1 2314456331 WIZQLGRSTLUASJ-LJQANCHMSA-N 468.204 7.137 50 10 JKGE CCCCCCOc1ccc(-c2nn(-c3ccccc3)cc2C=C2C(=O)N(C)C(=O)C(C#N)=C2C)cc1 2314617533 APPNWLUAWSAODW-UHFFFAOYSA-N 494.595 5.720 50 10 JKGE CCOc1ccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)C=Cc4ccc(Cl)cc4)ccc32)cc1 2314640689 NHGUDVIRCLSSCO-SANMLTNESA-N 472.928 5.576 50 10 JKGE CC(C)(C)OC(=O)N1CCC[C@](CI)(OC[C@@H]2CC[C@@H]2C(C)(C)C)C1 2320179670 JXQNOZXPFMKXNL-TWOQFEAHSA-N 465.416 5.280 50 10 JKGE O=C(NN=Cc1ccc(-n2nc(-c3ccccc3)cc2-c2ccccc2)cc1)c1ccc(O)cc1 2323092577 JUSWKQOJMRALSO-UHFFFAOYSA-N 458.521 5.676 50 10 JKGE COC[C@@]1(C)C[C@@]1(CBr)Cc1ccc(I)c(Br)c1 2325223511 YFAOVKIWKZCNTG-ZIAGYGMSSA-N 488.001 5.034 50 10 JKGE COC(=O)c1ccc2c(O)nc(C(C#N)=Cc3ccc(OC)c(OCc4ccc(C)cc4)c3)nc2c1 2331046440 XQIGGMLGSXWUFS-UHFFFAOYSA-N 481.508 5.082 50 10 JKGE CC(C)C[C@H](C(O)=C(C#N)c1nc(-c2ccc3ccccc3c2)cs1)N1C(=O)c2ccccc2C1=O 2331237821 IRAGRTBRWJTHID-RUZDIDTESA-N 493.588 6.467 50 10 JKGE C=CCOc1ccccc1OCC(O)=C(C#N)c1nc(-c2ccc(Cl)cc2Cl)cs1 2331254562 ARTDBMOHPVGFBG-UHFFFAOYSA-N 459.354 6.553 50 10 JKGE N#CC(=C(O)C(=Cc1ccccc1)c1ccccc1)c1nc(-c2ccc(Cl)c(Cl)c2)cs1 2331311717 QZRPSLJMONKWFH-UHFFFAOYSA-N 475.400 8.150 50 10 JKGE Clc1ccc([C@H](Br)CCc2ccc(Cl)c(I)c2)cc1 2337217814 BHGANIUJUGVDEC-CYBMUJFWSA-N 469.975 6.667 50 10 JKGE Cn1nc(Br)c(Br)c1[C@@H](Br)Cc1cccc(Cl)c1F 2338691669 VESKSXKZZWRABU-ZETCQYMHSA-N 475.381 5.416 50 10 JKGE Cc1cc(C)c(CCl)c(Oc2cc(Br)cc(I)c2)n1 2338712555 NHUYNOKYXKYEBH-UHFFFAOYSA-N 452.517 5.597 50 10 JKGE COc1c(Br)cc(C)c([C@@H](Br)[C@@]23COC[C@@H]2C3)c1Br 2339657188 VSBBJFJGXXODIF-PCTYZZJISA-N 454.984 5.001 50 10 JKGE Clc1ccc(CN2CC3(CC[C@@H]2CBr)CC3)c(I)c1 2341031499 BPFFCNOCIDZCGO-CYBMUJFWSA-N 454.577 5.084 50 10 JKGE Clc1ccc(CC[C@H](Br)CC2CCCCC2)c(I)c1 2341031795 FJTKPFRZZFNDDH-AWEZNQCLSA-N 455.605 6.611 50 10 JKGE Brc1csc([C@@H](Br)c2cc3c(cc2Br)OCCC3)c1 2343580551 MMINUFLWZZUOLS-AWEZNQCLSA-N 467.020 6.082 50 10 JKGE Cc1cc(Br)c(C)c([C@@H](Br)[C@@]23CCCC[C@@H]2CC3)c1Br 2359780548 CFKVRUWCMMDODC-CSMYWGQOSA-N 465.067 7.235 50 10 JKGE FC(F)(F)c1ccc([C@H](Cl)c2cc(Br)ccc2OCc2ccccc2)cc1 2361206338 MFQOOGLRJHFBRC-FQEVSTJZSA-N 455.701 7.375 50 10 JKGE Br[C@@H]1CC[C@H](c2ccccc2)C[C@H]1Cc1sccc1I 2364105304 WZEOKRDQYPWDBK-SOUVJXGZSA-N 461.206 6.243 50 10 JKGE COc1c(Br)cc(C)c([C@H](Br)c2cc(C)c(C)s2)c1Br 2365187892 FPOQBEDACIFVFZ-CYBMUJFWSA-N 483.063 6.691 50 10 JKGE COc1c(Br)cc(C)c([C@H](Br)c2c(C)coc2C)c1Br 2365234399 IYJBHAXQZACJKF-CYBMUJFWSA-N 466.995 6.223 50 10 JKGE Cl[C@@H]1C[C@H](OCc2ccc(I)c(Br)c2)C12CCCCC2 2377615769 QQTSTKLQPWVDJY-CABCVRRESA-N 469.588 5.901 50 10 JKGE Cc1cc(Br)c([C@H](Cl)c2cc(F)c(Cl)cc2Cl)cc1Br 2379733186 CIQAIYQATWZAFS-AWEZNQCLSA-N 461.383 7.294 50 10 JKGE Cc1ccc(C(=O)C/C(=C/C(=C(/C#N)c2ccc([N+](=O)[O-])cc2)c2ccc(C)cc2)c2ccccc2)cc1 12340566 MUOCNSAJVLIYMM-VLZDVZDVSA-N 498.582 8.003 50 10 JKGE C=C(C)[C@@H]1CC=C(C)/C(=N/NC(=O)COc2c(C)cc(Br)cc2Br)C1 12483458 QEHWRHMAHRUEPA-PFKVCDDJSA-N 470.205 5.303 50 10 JKGE O=C(N/N=C/c1ccc(OCc2ccccc2)cc1)c1[nH]c(-c2ccccc2)cc1-c1ccccc1 12573924 DSCFTLQOEYXMHF-RUMWWMSVSA-N 471.560 6.692 50 10 JKGE CCOc1cccc([C@H]2C(C#N)=C(C)Oc3cc(C)n(CCc4ccccc4)c(=O)c32)c1OCC 19926571 MUZIKRSKIRNSFK-SANMLTNESA-N 470.569 5.519 50 10 JKGE COc1ccccc1OCCn1cc(/C=C(/C#N)C(=O)NCc2cccs2)c2ccccc21 33339541 LOSWZPVVHSHANR-CYVLTUHYSA-N 457.555 5.014 50 10 JKGE N#CC(=C/c1ccc(-c2cccc(Cl)c2)o1)/C(O)=N/c1ncc(Cc2cccc3ccccc23)s1 33634895 RYACEFOMIUKHLG-STZFKDTASA-N 495.991 7.996 50 10 JKGE N#C/C(=C/c1cn(-c2ccccc2)nc1-c1ccccc1)C(=O)Nc1ccc([N+](=O)[O-])cc1Cl 35519356 PKSMMUDNWSOGEI-AQTBWJFISA-N 469.888 5.647 50 10 JKGE O=C(Nc1c(Br)cc(Br)cc1Br)[C@@H](Cl)c1ccccc1 37009298 HMUHEDOHNCYXBJ-LBPRGKRZSA-N 482.397 5.893 50 10 JKGE CCCCCOc1ccc(/C=C2/C(=O)N(Cc3ccccc3Cl)C(=O)C(C#N)=C2C)cc1OCC 38608786 ZGYYPBTWMFRSKB-PXLXIMEGSA-N 493.003 6.100 50 10 JKGE CCOc1c(Cl)cc(C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@H]3c2ccco2)cc1Cl 38657477 AUIRLINGQRJRNT-FQEVSTJZSA-N 471.296 5.422 50 10 JKGE CCc1ccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)COc4ccc(Cl)cc4C)ccc32)cc1 38677476 FQBQMISWPSWKDP-SANMLTNESA-N 474.944 5.413 50 10 JKGE N#C/C(=C/c1cn(Cc2cccc(C(F)(F)F)c2)c2ccccc12)C(=O)Nc1ccccc1[N+](=O)[O-] 39412251 LNNXPIMNWPBRJX-AQTBWJFISA-N 490.441 6.162 50 10 JKGE N#C/C(=C\c1ccc(OC(=O)COc2ccccc2-c2ccccc2)cc1)C(=O)NCc1ccco1 40935957 YSVZVRZNOBPVSC-HAVVHWLPSA-N 478.504 5.154 50 10 JKGE CCc1ccc(N2C(=O)[C@H](Cc3ccc(Cl)cc3)S/C2=C(/C#N)C(=O)NCc2ccco2)cc1 101242054 BESSMRDNXNKGMN-YDYXIROLSA-N 492.000 5.238 50 10 JKGE CCOC(=O)/C(C#N)=C\c1cc(Br)ccc1OCCOc1ccc([C@@H](C)CC)cc1 101425364 UGRGUZMJRYUGJK-PNWWAVQQSA-N 472.379 5.890 50 10 JKGE CCCCCCCCCCOc1ccc(C(=O)N/N=C/c2ccc(OCC(=O)O)c(OC)c2)cc1 103729863 VELOEEMKGRBPIU-TURZUDJPSA-N 484.593 5.442 50 10 JKGE CCn1nc(C)c(Br)c1C[C@H](CBr)c1ccc(Br)cc1 118851545 SNKPOYAUCYQLCT-GFCCVEGCSA-N 465.027 5.458 50 10 JKGE Cc1cc([C@@H](Br)c2ccc(Br)cc2Cl)sc1Br 126223991 KOTDWROTFIGKBU-NSHDSACASA-N 459.428 6.719 50 10 JKGE Brc1cc([C@@H](Br)c2ccc3c(c2)CCCO3)sc1Br 128870436 VUZYEQHGXYTAIV-ZDUSSCGKSA-N 467.020 6.082 50 10 JKGE N#C/C(=C/c1ccc(OC(=O)/C(=C/c2ccccc2)c2ccccc2)cc1)C(=O)NCc1ccco1 206687021 ZEDSHWPEINFEMN-JCBHBBAGSA-N 474.516 5.649 50 10 JKGE CC[C@@H]1[C@H](C)[C@@H](Nc2ccc(SC#N)cc2)c2ccccc2N1C(=O)c1ccc(OC)cc1 229746582 MISAQJJJNQPHBP-GJECAEJISA-N 457.599 6.497 50 10 JKGE COc1ccc([C@@H](Cl)c2cccc(C)c2I)cc1Br 234988381 XIZLDUKKMFVSBI-CQSZACIVSA-N 451.529 5.699 50 10 JKGE COc1ccc([C@H](Br)c2cccc(C)c2I)cc1Cl 235001327 LXJZAAPLXHYZKY-AWEZNQCLSA-N 451.529 5.746 50 10 JKGE CC(C)(C)c1ccc(OCc2ccc(C(=O)NN=Cc3ccc(N4CCOCC4)cc3)cc2)cc1 254302160 AIDZYDBAWCWUFI-UHFFFAOYSA-N 471.601 5.164 50 10 JKGE CCc1cc(=NNC(=O)NCCc2ccc(OC)cc2)oc2cc3c(cc12)CCC1(CCCCC1)O3 254821573 VYQNYGZHHQKRFC-UHFFFAOYSA-N 489.616 5.389 50 10 JKGE Fc1cc2c(cc1I)nc(CCCl)n2C1CCN(Cc2ccccc2)CC1 379554031 BNAHOPVMRYYWJU-UHFFFAOYSA-N 497.783 5.398 50 10 JKGE O=C(OCc1ccccc1)N1C[C@@H](CBr)[C@H](c2cccc(Br)c2F)C1 382680220 BNXQZRGLYBWNFQ-GDBMZVCRSA-N 471.164 5.335 50 10 JKGE C[C@H]1CN(c2cccc(Br)c2CBr)[C@H](C)[C@@H](C)N1Cc1ccccc1 404295829 XEUVQICBWJIDEC-GVDBMIGSSA-N 466.261 5.832 50 10 JKGE N=C(O)O[C@@H](CCCCCCCCCCCC(=O)Cl)C1c2ccccc2-c2ccccc21 585665556 YJRHBUNNBHUGLX-DEOSSOPVSA-N 456.026 7.733 50 10 JKGE Fc1ccc([C@@H](Br)c2csc(I)c2)c(F)c1Br 691525396 TXDPTTCCYIKWOQ-VIFPVBQESA-N 493.936 5.878 50 10 JKGE Cc1cc(C)c([C@H](Br)Cc2ccccc2Br)c(C)c1Br 692449888 ZNIWMUVGBMYTJI-OAHLLOKOSA-N 461.035 6.816 50 10 JKGE FC(F)(F)OCCCC(CBr)(CBr)c1ccc(Br)cc1 713446072 YJYOMGPUTHNUSI-UHFFFAOYSA-N 482.960 5.793 50 10 JKGE Clc1ccc(I)c(C[C@]2(CBr)CCC=CCCC2)c1 719087311 VRLDRBAUNBRNSY-INIZCTEOSA-N 453.589 6.389 50 10 JKGE Fc1ccc(F)c([C@@H](Br)c2ccc(I)c(Br)c2)c1 721591660 DNIRQIPENNIFRP-ZDUSSCGKSA-N 487.907 5.816 50 10 JKGE Cc1ccc(-c2ccc(C=NNC(=O)c3cccc(C(F)(F)F)c3)o2)c(Br)c1 725417590 ZUHMSNMRCDGBPB-UHFFFAOYSA-N 451.242 5.800 50 10 JKGE Cc1ccc(COc2ccc(C=NNC(=O)c3ccc(CSCc4ccccc4)cc3)cc2)cc1 1083973085 SJMSTUIVMHUXLA-UHFFFAOYSA-N 480.633 6.771 50 10 JKGE N#C/C(=C\c1ccccc1OCc1ccc(Cl)cc1)C(=O)Nc1cccc(Cl)c1Cl 1083991714 APLBXEYRWGAURK-SFQUDFHCSA-N 457.744 6.771 50 10 JKGE C=CCc1cc(C=NNC(=O)CC[C@@H](O)c2ccccc2)ccc1OCc1ccccc1Cl 1084047353 QYSPEYQJOAUANF-RUZDIDTESA-N 462.977 5.611 50 10 JKGE CCOc1ccc(C(=O)NN=Cc2cc(Cl)c(OCc3ccccc3C#N)c(OCC)c2)cc1 1084129788 APQKVBVEFCTHSZ-UHFFFAOYSA-N 477.948 5.352 50 10 JKGE CC(C)(C)OC(=O)NCCSSCCN[C@H]1CCC2(CCN(C(=O)OC(C)(C)C)CC2)C1 1254733654 MWNNVKBUKSICSK-SFHVURJKSA-N 489.748 5.052 50 10 JKGE Cc1c(C(=O)Oc2cccc3ccccc23)oc2c1C(=NNC(=O)c1ccc(F)cc1)CCC2 1772744700 HRFWYLMEFGDFDL-UHFFFAOYSA-N 456.473 5.570 50 10 JKGE Cc1c(C(=O)NN(c2ccccc2)c2ccccc2)oc2c1C(=NNc1ccc(F)cc1)CCC2 1772749602 OLKBKIQAOIZNOJ-UHFFFAOYSA-N 468.532 6.363 50 10 JKGE CCCCOc1ccc([C@@H]2C(C#N)=C(N)Oc3c2c(C)nn3Cc2cc(C)ccc2C)cc1OCC 1865687398 QJFVMYXOMXCTDT-HHHXNRCGSA-N 486.616 5.652 50 10 JKGE CCCc1nn(-c2ccccn2)c2c1[C@@H](c1ccc(OCc3ccccc3)cc1)C(C#N)=C(N)O2 1865690481 SLXWQRAYKGKUKW-VWLOTQADSA-N 463.541 5.017 50 10 JKGE CCOc1ccc([C@@H]2C(C#N)=C(N)Oc3c2c(-c2ccc(OC)cc2)nn3-c2ccc(C)cc2)cc1 1865693967 NKFNJUAQIUDXDD-RUZDIDTESA-N 478.552 5.473 50 10 JKGE N#CC1=C(N)Oc2c(c(-c3ccccc3)nn2Cc2c(F)cccc2Cl)[C@@H]1c1cccnc1 1865700621 ZGIMYTJDOPMIDE-OAQYLSRUSA-N 457.896 5.004 50 10 JKGE CCc1ccc([C@@H]2C(C#N)=C(N)Oc3c2c(-c2ccc(OC)cc2)nn3-c2ccccc2Cl)cc1 1865709205 QZVIHSIELBCYSZ-XMMPIXPASA-N 482.971 5.982 50 10 JKGE Cc1ccccc1[C@@H]1C(C#N)=C(N)Oc2c1c(C(F)(F)F)nn2Cc1c(F)cccc1Cl 1865712493 AAADMRVGKOKMDC-QGZVFWFLSA-N 462.834 5.269 50 10 JKGE COc1ccc(-c2nn(Cc3ccc(C)cc3)c3c2[C@@H](c2ccc([N+](=O)[O-])cc2)C(C#N)=C(N)O3)cc1 1865713260 VBSGMMJNRDJYAP-DEOSSOPVSA-N 493.523 5.042 50 10 JKGE COc1ccc(C(=O)[C@@H]2CCCN2c2cc(Nc3ccc(SC#N)cc3)nc(C)n2)cc1C 1868479857 CGMGTDQVTNUZRM-NRFANRHFSA-N 459.575 5.271 50 10 JKGE Cc1c(OCc2cccc(CCl)c2)ccc2c1O/C(=C\c1ccc(Cl)cc1Cl)C2=O 1871437482 ZWSSMHZXLSZIKB-YVNNLAQVSA-N 459.756 7.236 50 10 JKGE CCCCCCCCCOc1ccc(/C=C(\C#N)c2ccc(C(=O)OC(C)C)o2)c(Cl)c1 1872728755 RLNLDRMRGJYMEN-LTGZKZEYSA-N 457.998 7.692 50 10 JKGE CCOc1cc(/C(O)=C(\C#N)c2nc(-c3cccc(OC)c3)cs2)cc(OCC)c1OCC 1872744034 FBVVZKZTLJDAOE-NMWGTECJSA-N 466.559 5.965 50 10 JKGE CCc1ccc(-c2csc(/C(C#N)=C(\O)[C@@H](C)Oc3ccc(Cl)cc3Br)n2)cc1 1872744551 XXFMZQYPZBGVBB-PWNVGIJBSA-N 489.822 7.049 50 10 JKGE CCCCc1ccc(-c2csc(/C(C#N)=C(\O)c3cc(OCC)c(OCC)c(OCC)c3)n2)cc1 1872744653 BOZGWMYHPLKSJX-ROMGYVFFSA-N 492.641 7.299 50 10 JKGE Cc1cc(OC/C(O)=C(\C#N)c2nc(-c3cccc(Br)c3)cs2)cc(C)c1Cl 1872745826 FHTALNYMRMPUSF-ZPHPHTNESA-N 475.795 6.715 50 10 JKGE Cc1cc(OCCC/C(O)=C(\C#N)c2nc(-c3cccc(Cl)c3)cs2)cc(C)c1Cl 1872748237 OJXNZRSWTWDSQP-VZCXRCSSSA-N 459.398 7.386 50 10 JKGE CC(C)(C)c1ccc(OCCC/C(O)=C(\C#N)c2nc(-c3cccc(Cl)c3)cs2)cc1 1872748334 SWAOJSLUFFSRRJ-LNVKXUELSA-N 453.007 7.413 50 10 JKGE Cc1cc(C)c(C)c(-c2csc(/C(C#N)=C(\O)c3cc(C(F)(F)F)cc(C(F)(F)F)c3)n2)c1C 1872754570 YZOKTAJEEAQBSF-UZYVYHOESA-N 496.476 8.031 50 10 JKGE Cc1ccc(-c2csc(/C(C#N)=C(\O)[C@H](CC(C)C)N3C(=O)c4ccccc4C3=O)n2)cc1C 1872756276 GXCGRXLAQHIYMT-HHUUSFLGSA-N 471.582 5.931 50 10 JKGE COc1cc(C)c(-c2csc(/C(C#N)=C(O)/C=C/c3ccc(OCc4ccccc4)cc3)n2)cc1C 1872758288 UBETUAGYEQHFMT-ZTRLJESTSA-N 494.616 7.521 50 10 JKGE COc1c(C)cc(Cl)cc1-c1csc(/C(C#N)=C/c2cc(Br)ccc2F)n1 1872794339 WDONIPGZVHYHPN-AWNIVKPZSA-N 463.759 6.746 50 10 JKGE C[C@@H](c1ccncc1Br)[C@@H](Br)c1ccc(Br)cc1F 1924040261 PAHOZWJTVKZJBL-RMLUDKJBSA-N 451.959 5.985 50 10 JKGE C[C@H](c1ccncc1Br)[C@@H](Br)c1ccc(Br)cc1F 1924040363 PAHOZWJTVKZJBL-XLKFXECMSA-N 451.959 5.985 50 10 JKGE Cc1cscc1[C@H](Cl)c1c(Br)sc(Br)c1Br 1924580696 UQODGAGSOHMSLM-QMMMGPOBSA-N 465.457 6.734 50 10 JKGE O=C(O)C[C@H](CCCC[C@H]1CCSS1)CNC(=O)OCC1c2ccccc2-c2ccccc21 1951422492 HWVZIFZCLZSZOR-OALUTQOASA-N 485.671 6.330 50 10 JKGE CC[C@H](Br)CN(Cc1ccccc1)C(=O)c1ncc(Br)cc1Cl 1983535901 MUPHHCSJIKGIHX-ZDUSSCGKSA-N 460.597 5.313 50 10 JKGE Clc1c(Br)sc(Br)c1[C@H](Br)C[C@]12CCC[C@@H]1C2 2010968386 NWLWQAZFRJDMGR-NQYJQULFSA-N 463.460 6.943 50 10 JKGE Clc1ccccc1C[C@H](Br)c1c(Br)cccc1Br 2033090989 LYANXUCURCJINW-LBPRGKRZSA-N 453.399 6.544 50 10 JKGE FC1(F)C[C@]12CC[C@H]([C@@H](Br)c1sc(Br)cc1Br)C2 2038549041 LDWSWNTXJUGNGN-PTHKFVFGSA-N 464.995 6.535 50 10 JKGE Cc1cc(Br)c(CBr)c(N2CCN(Cc3ccccc3)C(C)(C)C2)c1 2053201775 DIWHVMNHFCZXDG-UHFFFAOYSA-N 466.261 5.753 50 10 JKGE Cc1cc(Br)c(CBr)c(Oc2ccc(OCc3ccccc3)cc2)c1 2053210884 CFVVGBJYZPNJMU-UHFFFAOYSA-N 462.181 7.024 50 10 JKGE FC(F)(F)c1ccc(Cn2nc3c(c2CBr)[C@@H]2C[C@H]2C3)c(Br)c1 2080534116 JYUYUCRNLWCPJG-GXSJLCMTSA-N 450.096 5.267 50 10 JKGE Cc1cc(Br)c(C)c([C@@H](Cl)c2cc(Br)cs2)c1Br 2081063426 ZKICEEYFDOUPJM-ZDUSSCGKSA-N 473.455 6.981 50 10 JKGE Cc1c(Br)ccc([C@@H](Br)c2ccc(Cl)cc2)c1Br 2083336720 CTJUVGOPZSAXBP-AWEZNQCLSA-N 453.399 6.658 50 10 JKGE Fc1cc(F)c([C@@H](Br)c2cccc(Br)c2Br)cc1F 2092328764 OTJHUJSXHDXBAM-LBPRGKRZSA-N 458.897 6.113 50 10 JKGE Cc1cc(Br)c(CBr)c(N2C[C@H]3CCN(Cc4ccccc4)C[C@H]3C2)c1 2116806809 UATOLSYUBRZYNX-MOPGFXCFSA-N 478.272 5.611 50 10 JKGE BrC[C@@H]1C[C@@H]2CCC[C@H]2N1Cc1cc(Br)ccc1Br 2118527719 GHHOOPNUUCDQQK-VZJVUDMVSA-N 452.028 5.350 50 10 JKGE CCCC[C@@H](CC)[C@H](Br)c1c(C)c(Br)cc(C)c1Br 2136381100 YDCBZSWBVRVGSQ-WBMJQRKESA-N 455.072 7.481 50 10 JKGE COc1cc(Cl)c([C@@H](Cl)c2ccccc2OCc2ccccc2)cc1Br 2137637594 PCKNBEINNDGMBC-NRFANRHFSA-N 452.175 7.018 50 10 JKGE COc1cc(Cl)c([C@@H](Cl)c2cc(Br)c(Cl)s2)cc1Br 2137654570 IWPOWUIHZQCRAL-LLVKDONJSA-N 465.421 6.917 50 10 JKGE Cc1c(Br)ccc([C@@H](Br)[C@@H]2CCCC23CCC3)c1Br 2138875726 IPSDXXZJDHETQH-SWLSCSKDSA-N 451.040 6.926 50 10 JKGE Br[C@@H](c1ccc(I)cc1)c1ccc(-c2cccs2)s1 2140981311 WTARBBBOQFUMJO-HNNXBMFYSA-N 461.187 6.566 50 10 JKGE Fc1cc(CBr)cc(F)c1OCc1cccc(Br)c1Br 2148749717 ITINYSNCTGLFAP-UHFFFAOYSA-N 470.933 5.964 50 10 JKGE Clc1ccc(C[C@H](CBr)Cc2ccc(Br)cc2)cc1Br 2166826690 ZGHDBFGGNBJBLZ-CYBMUJFWSA-N 481.453 6.661 50 10 JKGE CCOc1ccc(Br)cc1[C@@H](Br)c1nn(C)c(Cl)c1Br 2167050397 KRZZJSIFXHIXIQ-SNVBAGLBSA-N 487.417 5.482 50 10 JKGE Cc1cc(Br)c(CBr)c(N2CCO[C@@H]3CCN(Cc4ccccc4)C[C@H]32)c1 2173450395 LNIRAOYAJGMFHH-FGZHOGPDSA-N 494.271 5.132 50 10 JKGE FC1(F)CCC2(CC1)[C@H](Br)C[C@H]2Oc1ccc(I)cc1 2177596158 PBUYSYYYRSDSPE-CHWSQXEVSA-N 457.096 5.402 50 10 JKGE FC(F)[C@H]1CN(Cc2ccccc2)C[C@H]1n1c(CCl)nc2cccc(Br)c21 2193247738 WHMALPVCJHGXPB-WMLDXEAASA-N 454.746 5.476 50 10 JKGE Brc1c2c(c([C@@H](Br)[C@H]3C[C@@H](Br)C3)c3c1CCC3)CCC2 2196896818 RVJAIGPYXGSLGY-IEVXNVSRSA-N 463.051 6.036 50 10 JKGE CCCCCc1ccc([C@@H](Br)c2cccc(F)c2I)s1 2197255341 FKTHUSZBBBEXJZ-HNNXBMFYSA-N 467.185 6.709 50 10 JKGE Cc1cc(Br)c(C)c([C@H](Br)[C@]2(C)C[C@@H]2C(F)(F)F)c1Br 2201070106 DZGZFXBZERUJDR-TVYUQYBPSA-N 478.972 6.853 50 10 JKGE COc1c(Cl)cc(Br)cc1[C@@H](Br)c1cccc(C)c1Br 2203001695 ILKYSTNWBSQBDA-AWEZNQCLSA-N 483.425 6.666 50 10 JKGE CC[C@H](c1ccccc1)[C@H](Br)c1ccc(Br)c(C)c1Br 2203684115 GEFYBBXFKPMXRV-DYVFJYSZSA-N 461.035 7.150 50 10 JKGE CCC12COC(COc3c(Br)cc(CBr)cc3Br)(C1)C2 2205261008 WTQTUZKMXVQPMC-UHFFFAOYSA-N 469.011 5.445 50 10 JKGE Cc1ccc(Br)cc1[C@@H](Br)c1sc(Br)c(C)c1C 2218789184 GPTXYTNEUXLIRC-GFCCVEGCSA-N 453.037 6.683 50 10 JKGE Clc1cc(Br)ccc1C[C@@H](Br)c1ccc(Br)cc1 2221699177 FGDWZNMCAKAICE-CYBMUJFWSA-N 453.399 6.544 50 10 JKGE C[C@@H](C[C@H](Br)c1c(Br)cc(Cl)c(Cl)c1Cl)C(C)(C)C 2224303497 XPJQHDZEDQTHCV-YUMQZZPRSA-N 451.457 7.918 50 10 JKGE CCOCc1cc(Br)c([C@@H](Br)c2cn(C)nc2Br)s1 2224786051 AJAQSQSMGDNBKV-JTQLQIEISA-N 473.028 5.027 50 10 JKGE CC[C@@H]1CC[C@H]([C@H](Br)c2c(Br)cc(C)c(Br)c2C)O1 2227360327 RGIKKKJGWYALAN-HCKVZZMMSA-N 455.028 6.222 50 10 JKGE Clc1ccc(I)c(CN2[C@H](CBr)C[C@H]3CCCC[C@H]32)c1 2240673610 WCEGNDZURGWSOC-DIOULYMOSA-N 468.604 5.473 50 10 JKGE Cc1c(Br)ccc([C@H](Br)c2cc(Br)co2)c1Br 2249403479 XDLXBKFXVOXSQJ-LBPRGKRZSA-N 487.811 6.360 50 10 JKGE COc1c([C@H](Br)c2c(Cl)sc(Br)c2Cl)csc1Cl 2256855983 HNTNTBUMFSOGAR-YFKPBYRVSA-N 471.450 7.025 50 10 JKGE Clc1cccc(C[C@H](Br)c2cccc(Br)c2)c1Br 2259399744 GPMPIYACFRMVOF-LBPRGKRZSA-N 453.399 6.544 50 10 JKGE Fc1cc(Br)c(F)c(Br)c1[C@H](Br)[C@@H](F)C(F)(F)F 2259996430 WOVODMRFDOQJNF-POYBYMJQSA-N 464.823 5.826 50 10 JKGE COc1ccc([C@@H](Br)c2cc(C)c(Br)s2)c(Br)c1Cl 2268264455 SOUQLDOCLKRQIE-SNVBAGLBSA-N 489.454 6.728 50 10 JKGE Fc1cc(Br)c(F)c(Br)c1[C@H](Br)[C@H]1C[C@@H]1C(F)(F)F 2272842517 PVAGFBCLGDBQSP-MSIVUJLLSA-N 472.871 6.124 50 10 JKGE CC1(C)[C@H]2CO[C@@]1([C@@H](Br)Cc1cc(Br)cc(Br)c1)C2 2277956877 RBQAHFXBGDCABQ-RIEGTJTDSA-N 453.012 5.333 50 10 JKGE CCn1cc([C@H](Br)c2c(Br)cc(C)c(F)c2C)nc1Br 2279140366 XCPQNURUGVPQPL-LBPRGKRZSA-N 468.990 5.668 50 10 JKGE Cc1cc(Cl)c(Cl)cc1[C@H](Br)c1cc(F)c(Br)cc1Cl 2282906387 BDDURVQTFAQVQP-AWEZNQCLSA-N 461.383 7.341 50 10 JKGE COc1ccc(Br)c2c1nc(CCCl)n2[C@@H](C)CCOCc1ccccc1 2286088997 YLODDWIKRIQTCO-HNNXBMFYSA-N 451.792 5.757 50 10 JKGE C[C@]1(C(F)(F)F)C[C@@H]1[C@@H](Br)c1c(F)cc(Br)c(F)c1Br 2288353904 LANBTFIZUPKKFE-CPFXQGKDSA-N 486.898 6.514 50 10 JKGE Cc1cccc(C)c1[C@H](Br)c1c(F)cc(Br)c(F)c1Br 2288361164 AEYKBBPTNHHKJS-ZDUSSCGKSA-N 468.961 6.591 50 10 JKGE CCOC(=O)C(C#N)=Cc1cc(Cl)c(OCCOc2ccc(C(C)(C)C)cc2)c(OCC)c1 2293993191 WIAMXKCNOCUVPA-UHFFFAOYSA-N 471.981 5.964 50 10 JKGE FC(F)(F)c1ccc([C@H](Br)Cc2cc(Br)cc(Br)c2)s1 2295335290 IGJQRXLWSCKVDP-SNVBAGLBSA-N 492.980 6.971 50 10 JKGE Cc1ccc(NC=C(C#N)c2nc(-c3cc4ccccc4oc3=O)cs2)c(Br)c1 2295945610 BRDRWZRWUNKSPO-UHFFFAOYSA-N 464.344 5.964 50 10 JKGE CCOc1ccc(-n2c(C)cc(C=C(C#N)C(=O)OCc3csc(-c4ccccc4)n3)c2C)cc1 2297335576 RDYMBNFWDMXMBS-UHFFFAOYSA-N 483.593 6.267 50 10 JKGE CC1(C)C[C@@H]([C@H](Br)c2ccc(OCc3ccccc3)cc2Br)CO1 2299529359 AYHORTRADMFZKC-BEFAXECRSA-N 454.202 6.279 50 10 JKGE CCn1cc(Br)c([C@H](Cl)c2sc(Cl)cc2I)n1 2300950346 ZFZGFRPNCCZUGI-QMMMGPOBSA-N 465.969 5.313 50 10 JKGE BrCc1cc(Oc2cc(Br)cc(I)c2)ccn1 2301070322 BMRKTLBOWJJFEU-UHFFFAOYSA-N 468.914 5.136 50 10 JKGE C[C@H](CCBr)CCOCc1cc(I)ccc1Br 2302647114 QVBCWOBONUGOLM-SNVBAGLBSA-N 475.990 5.382 50 10 JKGE CC1(C)CCC[C@H]([C@@H](Br)c2cc(Br)ccc2OCc2ccccc2)C1 2314440229 NRINWCPBCJEXQH-LAUBAEHRSA-N 466.257 7.681 50 10 JKGE Cc1ccc([C@@H](Br)c2cc(Br)ccc2OCc2ccccc2)cc1F 2314448302 GSFSXFKWIZDRPB-OAQYLSRUSA-N 464.172 6.960 50 10 JKGE CCCOc1cccc(-c2nn(-c3ccccc3)cc2C=C(C#N)C(=O)Nc2ccc(OCC)cc2)c1 2314475808 COOKCSYSXQWMBI-UHFFFAOYSA-N 492.579 6.272 50 10 JKGE CCSc1ccc(-c2nn(-c3ccccc3)cc2C=C(C#N)C(=O)NC2CCCCC2)cc1 2314478488 NXOQMPDBQGNULZ-UHFFFAOYSA-N 456.615 6.007 50 10 JKGE CCOc1ccc(N2C(=O)[C@@H](Cc3ccccc3)SC2=C(C#N)C(=O)Nc2ccccc2)cc1 2314592209 NWZPHIJJJMELBA-XMMPIXPASA-N 469.566 5.150 50 10 JKGE COc1ccc(CN2C(=O)C(=Cc3ccc(OCc4ccc(F)cc4)cc3)C(C)=C(C#N)C2=O)cc1 2314616490 BZFNKNZEDWYMRB-UHFFFAOYSA-N 482.511 5.206 50 10 JKGE CC1=C(C#N)C(=O)N([C@@H](C)c2ccccc2)C(=O)C1=Cc1ccc(OCc2ccc(C)cc2)cc1 2314618342 LPULYSUPCQWILY-QFIPXVFZSA-N 462.549 5.928 50 10 JKGE CC(C)(C)c1ccc(C=CC(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@H]3c2ccccc2F)cc1 2314634178 WZCFBWBLACMQMR-MHZLTWQESA-N 468.528 5.960 50 10 JKGE Cc1cc(Br)c(F)c([C@H](Cl)c2sc(Cl)cc2I)c1 2316606023 LEWGPXZXNYCYSS-JTQLQIEISA-N 479.967 6.544 50 10 JKGE Cc1cc(Br)c([C@H](Br)[C@H]2CC[C@@H]3[C@H]2C3(F)F)cc1Br 2329189240 YARXPGWOJVNNDG-UWIAMKHRSA-N 458.966 6.247 50 10 JKGE CCc1ccc(C(C)=CC(=O)N[C@H](Cc2ccccc2)C(=O)Nc2ccc(SC#N)cc2)cc1 2329523831 XTHXXCOHADDQKA-AREMUKBSSA-N 469.610 5.592 50 10 JKGE Cc1c(C(O)=C(C#N)c2nc(-c3ccc4c(c3)CCCC4)cs2)cc([N+](=O)[O-])cc1[N+](=O)[O-] 2331240336 ZDHWCDILXDHJDE-UHFFFAOYSA-N 462.487 5.764 50 10 JKGE CC(C)(C)N1C(=O)c2ccc(C(O)=C(C#N)c3nc(-c4ccc(Cl)cc4Cl)cs3)cc2C1=O 2331250645 PAUXIENDPJOBQB-UHFFFAOYSA-N 498.391 6.461 50 10 JKGE C[C@H](c1ccccc1)N1C[C@H](C(O)=C(C#N)c2nc(-c3ccc(C(C)(C)C)cc3)cs2)CC1=O 2331331999 SUEIXLZCFBRCKC-WIYYLYMNSA-N 471.626 6.510 50 10 JKGE COc1ccc(C=C(C(O)=C(C#N)c2nc(-c3ccc(F)cc3)cs2)c2ccccc2)cc1OC 2331343815 UWVOVGNYNNEDQK-UHFFFAOYSA-N 484.552 7.000 50 10 JKGE COc1ccc(-c2csc(C(C#N)=C(O)CCCOc3ccccc3Cl)n2)c(OC)c1 2331385506 KBXNJZMWPUTMPN-UHFFFAOYSA-N 456.951 6.133 50 10 JKGE CCN(Cc1ccccc1)c1ccc(C=C(C#N)c2nc(-c3ccc(OC)c(F)c3)cs2)cc1 2331455672 FURVEURHBWVXDW-UHFFFAOYSA-N 469.585 7.048 50 10 JKGE CCCCCOc1ccc(C=C(C#N)c2nc(-c3cc(Cl)cc(Cl)c3OC)cs2)cc1 2331467676 TXJIHZNPYOYRML-UHFFFAOYSA-N 473.425 7.759 50 10 JKGE Cc1cc(Br)c([C@H](Br)[C@H]2C[C@@H]3C[C@@H]3CO2)c(C)c1Br 2333709318 ZXLPMOWGDKYTCH-PETRGTFGSA-N 453.012 5.689 50 10 JKGE FC(F)(F)CC1([C@H](Br)c2ccc(OCc3ccccc3)cc2Br)CCC1 2336054831 VIDAEOLIMWKRBI-GOSISDBHSA-N 492.173 7.587 50 10 JKGE CCCc1sc(Br)cc1[C@H](Cl)c1cc(Br)cc(Br)c1 2338026678 ROYGCYNXNPAKEL-CQSZACIVSA-N 487.482 7.316 50 10 JKGE Cc1cc(Br)c(F)c(Br)c1[C@H](Br)C[C@H]1CC[C@@H]2C[C@@H]21 2339679614 NMIRAOASAHYJPJ-CHWFTXMASA-N 455.003 6.531 50 10 JKGE COc1c(Br)cc(C)c([C@H](Br)CC[C@@H]2C[C@@H]2C)c1Br 2339680236 UUZDCXSFVXWTJY-JMJZKYOTSA-N 455.028 6.401 50 10 JKGE CC(C)[C@H](Br)C(C)(C)NC(=O)c1c(Br)cccc1Br 2340524660 ANNYVAYGRHTUDN-LBPRGKRZSA-N 456.016 5.140 50 10 JKGE Clc1ccc(CN2CC[C@@H](CBr)C23CCC3)c(I)c1 2341010727 IMJZYDSTWZOJCH-LBPRGKRZSA-N 454.577 5.084 50 10 JKGE Clc1ccc(C[C@@H]2C[C@@H]3CCCC[C@@H]3[C@H]2Br)c(I)c1 2341026889 FMTNWPUCBWWIPS-ZAJUMQRFSA-N 453.589 6.077 50 10 JKGE Brc1csc([C@H](Br)c2cc3c(cc2Br)OCCC3)c1 2343580552 MMINUFLWZZUOLS-CQSZACIVSA-N 467.020 6.082 50 10 JKGE Fc1cc(CBr)cc(OCc2ccc(I)c(Br)c2)c1 2349805844 ISMZZRNOKQEMSB-UHFFFAOYSA-N 499.943 5.667 50 10 JKGE CC(C)[C@@H]1CC[C@H](Br)[C@H](Cc2cc(I)ccc2Cl)C1 2352440606 GENJKOKTOBTUIA-XUJVJEKNSA-N 455.605 6.323 50 10 JKGE CC(C)CC(CC(C)C)O[C@H](CI)c1ccccc1Br 2360347656 WHYMZJVLVLIGKQ-QGZVFWFLSA-N 453.202 6.403 50 10 JKGE Fc1cc(Cl)c(Br)c(Cl)c1[C@@H](Br)[C@H]1C(F)(F)C12CCC2 2360404296 BIFZXWDBSQSTQY-MWLCHTKSSA-N 452.923 6.766 50 10 JKGE Cc1ccc(Cl)cc1[C@@H](Cl)c1c(Cl)cc(Br)c(F)c1Br 2362226951 YILACMPCKCCCQM-CYBMUJFWSA-N 461.383 7.294 50 10 JKGE Cc1c(F)ccc([C@@H](Br)c2ccc(Br)c(C)c2Br)c1Cl 2364115102 SPPWAMRQKUAQGD-AWEZNQCLSA-N 485.416 7.105 50 10 JKGE Cc1cc(Br)c(F)c(Br)c1[C@H](Br)CC1CC2(CCC2)C1 2365187732 DAQSVWYBEAMMJC-LLVKDONJSA-N 469.030 7.066 50 10 JKGE CCCC1CC([C@H](Br)c2c(C)cc(Br)c(OC)c2Br)C1 2365215861 OCCHQFXCOWFPAE-MGULZYLOSA-N 469.055 6.791 50 10 JKGE Cc1cc(Br)c(F)c(Br)c1[C@H](Br)C12CCOC(C)(C1)C2 2365224013 SXBJGQYFMMPAJJ-NFOMZHRRSA-N 471.002 6.054 50 10 JKGE COc1c(Br)cc(C)c([C@@H](Br)c2ccc(C)cc2)c1Br 2365234590 YEVDRLRCRIIYQF-AWEZNQCLSA-N 463.007 6.321 50 10 JKGE CSc1sc(C)cc1[C@@H]1C(C#N)=C(N)N(c2ccccc2)C2=C1C(=O)C[C@H](c1ccccc1)C2 9981200 MKUBJQFGBRRBRS-KBMIEXCESA-N 483.662 6.477 50 10 JKGE CCSc1sc(CC)cc1[C@H]1C(C#N)=C(N)N(c2ccccc2Cl)C2=C1C(=O)CC(C)(C)C2 9981895 REDUVRDJGCAHCZ-QFIPXVFZSA-N 498.117 7.017 50 10 JKGE N#C/C(=C\c1ccc([N+](=O)[O-])cc1)c1nc(-c2cc3cc(Br)ccc3oc2=O)cs1 27474158 KEUCAJUUVKPPEV-VGOFMYFVSA-N 480.299 5.651 50 10 JKGE CCOc1cc(/C=C(/C#N)C(=O)Nc2ccc(F)cc2)ccc1OC(=O)c1cccc2ccccc12 33406767 BPZDISJKKRNKQX-PGMHBOJBSA-N 480.495 6.142 50 10 JKGE COc1ccccc1[C@@H]1C(C#N)=C(N)Oc2cc(OC(=O)c3ccc(OCC(C)C)cc3)ccc21 38650042 GJVDKYQZSYFVOT-SANMLTNESA-N 470.525 5.167 50 10 JKGE CCCCCOc1ccc(C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@H]3c2cccs2)cc1 38656418 STFZKWXGQPQIKV-DEOSSOPVSA-N 460.555 5.754 50 10 JKGE C=CCOc1ccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)[C@H](C)Oc4ccc(CC)cc4)ccc32)cc1 38658243 SLOOPOKZBMWURI-HMILPKGGSA-N 496.563 5.405 50 10 JKGE CCOc1cccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4oc5ccc(C)cc5c4C)ccc32)c1 38701240 YJYUZPAZNPBAOT-SANMLTNESA-N 480.520 5.886 50 10 JKGE Cc1c(C(=O)Nc2cccc3cccnc23)oc2c1/C(=N/NC(=O)c1ccc(Cl)cc1)CCC2 40811714 BHRBSXWISRRJNC-NDZAJKAJSA-N 472.932 5.512 50 10 JKGE COc1ccccc1C(=O)N/N=C1\CCCc2oc(C(=O)Oc3ccc4ccccc4c3)c(C)c21 40813146 UEZFEOJRJXPEHB-QUPMIFSKSA-N 468.509 5.439 50 10 JKGE O=C(CSc1nc(-c2ccccc2)cs1)N/N=C/c1ccc(OCc2cccc(Cl)c2)cc1 40924642 NHOVUHLFTWFWPI-MZJWZYIUSA-N 494.041 6.285 50 10 JKGE O=C(N/N=C/c1ccc([N+](=O)[O-])s1)c1ccc(OCc2ccc(Cl)cc2Cl)cc1 48572730 OCFVGEXKUHXTGN-LSHDLFTRSA-N 450.303 5.306 50 10 JKGE COc1ccc(CNC(=O)/C(C#N)=C/c2cn(Cc3ccc(Cl)cc3)c3ccccc23)cc1 59224871 DXVZTYCESHGRGD-KGENOOAVSA-N 455.945 5.575 50 10 JKGE CCOC(=O)/C(C#N)=C/c1cc(Br)c(OCc2ccccc2Cl)c(OCC)c1 59485175 PZGRPIJPXQGQQJ-CXUHLZMHSA-N 464.743 5.550 50 10 JKGE CCOC(=O)c1ccc(-c2ccc(/C=C(/C#N)c3nc(O)c4c5c(sc4n3)C[C@H](C)CC5)o2)cc1 97990710 GJUIBNFBNNIMKF-QLENYVDCSA-N 485.565 6.023 50 10 JKGE C=CCN1C(=O)C(C#N)=C(C)/C(=C\c2ccc(OCc3ccc(Cl)cc3Cl)cc2)C1=O 101230905 AXWUJKPWCFDMOD-RGVLZGJSSA-N 453.325 5.351 50 10 JKGE N#C/C(=C/Nc1ccc(Cl)cc1C(F)(F)F)c1nc(-c2cccc([N+](=O)[O-])c2)cs1 102456624 OUWTUWYGKZKFRB-XFXZXTDPSA-N 450.829 6.367 50 10 JKGE C=CCOc1ccc(-c2nn(-c3ccccc3)cc2/C=C(\C#N)c2nc3ccccc3n2C)cc1C 102859573 HEGGTSZFYVQRSV-PTGBLXJZSA-N 471.564 6.363 50 10 JKGE COc1cc(/C=C(\C#N)C(=O)Nc2ccc(C)c(C)c2)ccc1Oc1nc(Cl)ncc1F 108880508 YCIGQYNHINSYLI-CXUHLZMHSA-N 452.873 5.233 50 10 JKGE Clc1cc2c(cc1[C@@H](Br)c1csc(I)c1)OCCO2 124421744 RLWQYWSWVDJHFO-ZDUSSCGKSA-N 471.541 5.262 50 10 JKGE CCOc1ccc([C@H](Br)c2cc(C)c(Br)s2)c(Br)c1 126698389 HDPBWHSSNBXZIJ-ZDUSSCGKSA-N 469.036 6.465 50 10 JKGE COc1cc([C@H](Br)c2cc(Cl)c(Br)s2)cc(OC)c1OC 128146098 ZRVHAWMNIMPBEY-LBPRGKRZSA-N 456.583 5.674 50 10 JKGE CCOc1ccc(Br)cc1[C@H](Br)c1ccc(C)cc1Br 161439251 XNNXLPQSHVLDIC-MRXNPFEDSA-N 463.007 6.403 50 10 JKGE COc1ccc(CN(Cc2ccc(OC)cc2)C(=O)N[C@H]2CC(C)(C)C[C@](C)(CN=C=O)C2)cc1 170289290 DERMVIMPNKZXPI-NEKDWFFYSA-N 479.621 5.336 50 10 JKGE CC1=C(C#N)C(=O)N(C2CCCC2)C(=O)/C1=C\c1cn(-c2ccccc2)nc1-c1c(C)cc(C)cc1C 214356872 CQHPPIKCRUNGAN-QQXSKIMKSA-N 490.607 5.999 50 10 JKGE FC(F)(F)c1cc(Br)ccc1[C@H](Cl)c1cc(Br)c(Cl)s1 229519128 FUWQMXDWALQPHA-JTQLQIEISA-N 468.947 7.274 50 10 JKGE Clc1cc([C@H](Cl)Cc2cccc(Br)c2)ccc1I 232386302 CNXDXQSMIHBVTB-GFCCVEGCSA-N 455.948 6.230 50 10 JKGE Clc1ccc(C[C@H](Br)c2ccc(I)c(Cl)c2)cc1 232386348 ZHFZHMYNVIHCRD-LBPRGKRZSA-N 455.948 6.277 50 10 JKGE COc1ccc([C@H](Br)c2ccc(F)cc2I)c(Br)c1 234999440 JYSNCFVVWXJMRL-AWEZNQCLSA-N 499.943 5.686 50 10 JKGE Fc1ccc(C[C@H](Cl)c2cc(I)ccc2Br)cc1F 236178602 FRXPHPAZOXQVAB-LBPRGKRZSA-N 457.483 5.855 50 10 JKGE CCCCCCOc1ccccc1C(=O)NN=Cc1ccc(OCc2ccccc2Cl)cc1 252606298 GQQPRJCLLDQAIF-UHFFFAOYSA-N 464.993 6.642 50 10 JKGE CCCCCCCCCCCC(=O)NN=C(C)c1ccc(NC(=O)c2ccc(Cl)cc2)cc1 252629137 TZDPKJXTSBUWCO-UHFFFAOYSA-N 470.057 7.353 50 10 JKGE CC(=NNC(=O)[C@@]1(C)CC1(Cl)Cl)c1ccc(NC(=O)[C@H](C)Oc2ccc(Cl)cc2C)cc1 252642702 ZOKHTWYURUOBOU-OYHNWAKOSA-N 496.822 5.479 50 10 JKGE CCCOc1ccc(Br)cc1C=NNC(=O)c1cc(Br)ccc1OCC 254381494 SZQZRVJVAIEREN-UHFFFAOYSA-N 484.188 5.163 50 10 JKGE CCOc1ccc(-n2c(SCC(=O)NN=Cc3ccc(CC)cc3)nnc2-c2ccccc2)cc1 254899055 UWLAGQHTCUNHFY-UHFFFAOYSA-N 485.613 5.138 50 10 JKGE O=C(OCc1ccccc1)N1C[C@H](c2cccc(Br)c2)[C@@H](CBr)C1 382682928 FJIDJLLSVOCUQF-FUHWJXTLSA-N 453.174 5.196 50 10 JKGE C[C@@H](Cl)c1nc2cc(I)ccc2n1C[C@@H]1CCCN(Cc2ccccc2)C1 383779346 KQQDNUMJUFRVDU-SJLPKXTDSA-N 493.820 5.853 50 10 JKGE Cc1cc([C@H](Br)c2cc(Br)c(Br)s2)c(C)cc1F 386408338 JDPLIOZQJYTWGQ-LBPRGKRZSA-N 457.000 6.513 50 10 JKGE ClCCc1nc2cc(Cl)c(Cl)cc2n1CCCN(Cc1ccccc1)Cc1ccccc1 390493405 QFNIFWROUCBQRD-UHFFFAOYSA-N 486.874 7.217 50 10 JKGE BrCc1cc(Br)cc(Br)c1OCCCOCc1ccccc1 390724885 DCUGERARBSPNLF-UHFFFAOYSA-N 493.033 6.092 50 10 JKGE CCOc1ccc(NC(=O)c2cccc(NC(=O)Nc3ccc(SC#N)cc3)c2)cc1OCC 586732689 NOHBYNRATNOSHJ-UHFFFAOYSA-N 476.558 5.953 50 10 JKGE COCc1cc(Br)c([C@@H](Br)c2ccccc2OCc2ccccc2)s1 688066268 AKWNNSOVTDRJLL-IBGZPJMESA-N 482.237 6.720 50 10 JKGE BrCc1ccc(Br)cc1N1C[C@H]2CC[C@H]1[C@@H]1CN(Cc3ccccc3)C[C@@H]21 705884324 YVTDJQCIHWNDHI-ZDFPQIBNSA-N 490.283 5.691 50 10 JKGE Cc1ccc(C(CBr)(CBr)C[C@@H](C)COCc2ccccc2)cc1 719437430 KDDSQBUNBFTOFD-GOSISDBHSA-N 454.246 6.266 50 10 JKGE Cc1ccc([C@@H](Cl)c2cc(Br)ccc2Br)c(C)c1Br 719576802 PFFUYPNYJHCURU-OAHLLOKOSA-N 467.426 6.919 50 10 JKGE O=C(NN=C(CSc1nc2ccccc2s1)c1ccc(F)cc1)c1ccccc1Cl 1084020908 VDOYEENSRCNQGQ-UHFFFAOYSA-N 455.967 6.015 50 10 JKGE COc1cc([N+](=O)[O-])ccc1-c1ccc(C=NNC(=O)c2cc3cc(Br)ccc3o2)o1 1084052390 DYZRLYHJJXQOMH-UHFFFAOYSA-N 484.262 5.136 50 10 JKGE CCOC(=O)c1ccc(-n2c(-c3ccccc3)cc(/C=C(/C#N)C(=O)N(C)C)c2-c2ccccc2)cc1 1084149864 UQYWSMLXHFBEKN-XHPQRKPJSA-N 489.575 5.983 50 10 JKGE CC(=NNC(=O)CSCc1cccc(Cl)c1)c1ccc(NC(=O)c2ccccc2)cc1 1084289368 TXMWTWCKUYYKAE-UHFFFAOYSA-N 451.979 5.366 50 10 JKGE Cc1ccccc1NC(=O)/C(C#N)=C\c1cc(Cl)ccc1OCc1ccc(Cl)cc1Cl 1084425771 YDOZIFJIGPUVFW-ZDLGFXPLSA-N 471.771 7.080 50 10 JKGE CCOc1ccc([C@H](O)CCC(=O)NN=Cc2cc(C)n(-c3ccc(Cl)cc3Cl)c2C)cc1 1084436241 IUDJXOYGQQBIMN-XMMPIXPASA-N 488.415 5.764 50 10 JKGE C=CCOc1ccc(C=NNC(=O)c2ccc(CSc3ccc(Cl)cc3)cc2)cc1OC 1084636142 LJZUDYBMXLKQBA-UHFFFAOYSA-N 466.990 5.970 50 10 JKGE Cc1c(C(=O)Nc2ccccc2)oc2c1C(=NNC(=O)c1ccc(-c3ccccc3)cc1)CCC2 1772747351 NVDCPVQYLCTBRR-UHFFFAOYSA-N 463.537 5.978 50 10 JKGE COc1ccc(-c2nn(Cc3ccc(C)cc3)c3c2[C@H](c2cccc(Cl)c2)C(C#N)=C(N)O3)cc1 1865683023 DCSYVVBBRXCRFJ-XMMPIXPASA-N 482.971 5.787 50 10 JKGE N#CC1=C(N)Oc2c(c(C(F)(F)F)nn2-c2cccc(Cl)c2)[C@H]1c1c(F)cccc1Cl 1865685155 GGGPREGLABOQPI-CQSZACIVSA-N 469.225 5.555 50 10 JKGE CCCOc1ccc([C@@H]2C(C#N)=C(N)Oc3c2c(-c2ccccc2)nn3-c2ccc(OC)cc2)cc1 1865692876 GLMYJKVMUHCHFD-RUZDIDTESA-N 478.552 5.555 50 10 JKGE COc1ccc(-n2nc(-c3ccccc3)c3c2OC(N)=C(C#N)[C@H]3c2ccc(F)cc2F)cc1 1865701866 HAMDDWMYQVGFCX-JOCHJYFZSA-N 456.452 5.044 50 10 JKGE CCN(Cc1ccccc1)c1ccc([C@@H]2C(C#N)=C(N)Oc3c2c(C)nn3-c2ccc(Cl)cc2)cc1 1865707104 NPPBMGXKHJSHRT-HHHXNRCGSA-N 496.014 6.079 50 10 JKGE COc1cc(/C=N\NC(=O)c2ccc(-c3ccc(C)cc3)nc2C)ccc1OCc1ccccc1 1865761170 FLQPWSBCOQPVBR-YKQZZPSBSA-N 465.553 5.717 50 10 JKGE Cc1ccc(SCCCC(=O)N/N=C/c2c(C(C)C)nc3c(Cl)cc(C(F)(F)F)cn23)cc1 1865762178 RLMQTEPBMVAEQT-KVSWJAHQSA-N 496.986 6.461 50 10 JKGE Cc1ccc(/C=C(\C#N)C(=O)Nc2cccc(Nc3ncnc4ccc(Br)cc34)c2)cc1 1866127175 MMKVUBRLLUBSHP-WOJGMQOQSA-N 484.357 5.990 50 10 JKGE Cc1cccc(-n2nc(C(=O)N[C@@H](C(=O)Nc3ccc(SC#N)cc3)c3ccccc3)cc2C)c1 1866846348 XTBJQEALYVPVNB-RUZDIDTESA-N 481.581 5.172 50 10 JKGE CCOc1ccccc1Oc1c(C)oc2cc(OCc3ccc(CCl)cc3)ccc2c1=O 1871437798 CNVYTSFWEIQRFS-UHFFFAOYSA-N 450.918 6.610 50 10 JKGE CCCCc1ccc(-c2csc(/C(C#N)=C(\O)CNS(=O)(=O)c3ccc(C)cc3)n2)cc1 1872744788 IGBATDUWBAAXLR-LNVKXUELSA-N 467.616 5.232 50 10 JKGE CC(C)C[C@H](/C(O)=C(\C#N)c1nc(-c2ccc(Cl)cc2)cs1)N1C(=O)c2ccccc2C1=O 1872748135 JYOLLZBPZTXXBJ-DQVIVYRFSA-N 477.973 5.967 50 10 JKGE CCOc1ccc(OCC)c(-c2csc(/C(C#N)=C(O)/C=C\c3ccc4c(c3)OCCO4)n2)c1 1872755028 VJVQNYDUGOKKAC-OIRHJMEBSA-N 476.554 5.885 50 10 JKGE COc1c(C)cc(C)cc1-c1csc(/C(C#N)=C(\O)[C@@H]2CC(=O)N([C@@H](C)c3ccccc3)C2)n1 1872755031 VLDFTJBMZYRZIN-RDSFILEZSA-N 473.598 5.838 50 10 JKGE N#C/C(=C(/O)c1ccc(N2CCCC2)c([N+](=O)[O-])c1)c1nc(-c2ccc(F)cc2F)cs1 1872818065 LIZVTWKPBNTLFK-PGMHBOJBSA-N 454.458 5.547 50 10 JKGE Cl[C@@H](c1ccc(Br)o1)c1ccc(OCc2ccccc2)cc1Br 1899875961 CFXUPSGJZMUPTJ-GOSISDBHSA-N 456.561 6.712 50 10 JKGE CC(C)[C@H](CN(C)Cc1ccccc1)n1c(CCl)nc2c(Br)cc(F)cc21 1912683162 CXYDFMAROJVWDQ-IBGZPJMESA-N 452.799 6.006 50 10 JKGE Cn1ncc(Br)c1[C@@H](Cl)c1c(Br)sc(Br)c1Cl 1923054665 ISLODNARXVFRLG-YFKPBYRVSA-N 483.838 5.751 50 10 JKGE C[C@H](c1ccncc1Br)[C@H](Br)c1sccc1I 1924022229 OBFYJPTZNYUDAS-HQJQHLMTSA-N 486.998 5.750 50 10 JKGE CCN(C[C@@](C)(CI)O[C@H]1CC[C@H]2CC[C@H]1C2)C(=O)OC(C)(C)C 1947121910 BZYOLKSGHLLMDH-PASDCYSWSA-N 451.389 5.032 50 10 JKGE CN(c1c(CBr)ccc(Br)c1Cl)[C@H]1CCN(Cc2ccccc2)C1 1948735632 DFVCRDYICFEYTK-INIZCTEOSA-N 472.652 5.708 50 10 JKGE C[C@@H]1CC[C@H](NCCSSCCNC(=O)OC(C)(C)C)[C@@H](OCc2ccccc2)C1 1985350394 PPTAOBQGOFOAOF-GIVPXCGWSA-N 454.702 5.256 50 10 JKGE Cc1sc(Br)c([C@@H](Br)c2cccc(Br)c2Cl)c1C 2082884712 MXMXGCPAIVASDY-NSHDSACASA-N 473.455 7.028 50 10 JKGE Cc1sc(C)c([C@H](Cl)c2ccc(Br)cc2I)c1C 2086153901 PENOASXHOKHSTR-CQSZACIVSA-N 455.586 6.369 50 10 JKGE CCOc1ccc([C@H](Cl)c2ccc(I)c(Br)c2)s1 2086375632 RIMCSLADLKOWCN-CYBMUJFWSA-N 457.558 5.842 50 10 JKGE CCOC(=O)C12CC(CI)(C1)O[C@H]2c1cccc(S(F)(F)(F)(F)F)c1 2086918917 KWECHDSHKLYCRQ-GRTSSRMGSA-N 498.251 5.932 50 10 JKGE CC1(C)CCN(C(=O)c2scc(Br)c2Br)C[C@@H]1CBr 2092236746 NWVLMWNFJBNXET-QMMMGPOBSA-N 474.056 5.156 50 10 JKGE BrCCC1(NCc2cc(Br)ccc2Br)CCSCC1 2118525126 QPHXOQLIOWISQC-UHFFFAOYSA-N 472.084 5.352 50 10 JKGE CC1(C)OCCC[C@]1(CBr)Cc1ccc(Br)cc1Br 2130451315 DQLJXTMVAPBQFC-OAHLLOKOSA-N 455.028 5.724 50 10 JKGE Cc1cc(Br)c([C@H](Br)c2cc(F)ccc2F)cc1Br 2138572151 KMELEPWNCGUBSV-AWEZNQCLSA-N 454.934 6.283 50 10 JKGE Cc1c(Br)ccc([C@@H](Br)c2cc(F)ccc2F)c1Br 2138848403 GCNLQDVWIDNLMB-CQSZACIVSA-N 454.934 6.283 50 10 JKGE CN(Cc1ccc(I)c(Cl)c1)[C@@H]1CCCCC[C@H]1Br 2142942211 BHVMPYGJCPEVSV-IUODEOHRSA-N 456.593 5.473 50 10 JKGE O=C(N[C@@H]1CCCC[C@@H]1CCBr)c1cc(Cl)ccc1I 2146718811 KCBNUFSVRKEHPH-QMTHXVAHSA-N 470.576 5.018 50 10 JKGE CC1(C)CCN(C(=O)c2cc(Br)cc(Br)c2)C[C@H]1CBr 2148650042 FSHFSZFANCXPBK-LLVKDONJSA-N 468.027 5.095 50 10 JKGE ClC[C@@H](Cc1cccc(Br)c1)Cc1c(Br)cccc1Br 2150497400 ZXFXMMURHMYFJZ-LBPRGKRZSA-N 481.453 6.614 50 10 JKGE C[C@@H](Cl)c1nc2cc(Br)c(Cl)cc2n1CC(C)(C)N(C)Cc1ccccc1 2160075238 AQEGZGZSGVVRCJ-CQSZACIVSA-N 469.254 6.663 50 10 JKGE C[C@H](Cl)c1nc2cc(Br)c(Cl)cc2n1C1[C@H]2CN(Cc3ccccc3)C[C@H]12 2160084024 OXXGJAJNFYMHCM-QEJZJMRPSA-N 465.222 6.055 50 10 JKGE CN(C(=O)c1cc(Cl)ccc1I)[C@@H]1CCCCC[C@H]1Br 2172545700 AEHZPHGSZGZWKC-TZMCWYRMSA-N 470.576 5.113 50 10 JKGE CC1(C)CCC[C@]12[C@H](Br)C[C@H]2Oc1ccc(Br)cc1Br 2173666090 MJSBDECGAAPCBY-IIAWOOMASA-N 467.039 6.323 50 10 JKGE CC(C)n1cc(S(=O)(=O)N(Cc2ccccc2)Cc2cccs2)cc1CBr 2179860826 XYYYARXYJXFNLP-UHFFFAOYSA-N 467.454 5.417 50 10 JKGE Cc1nn(C)c([C@@H](Br)c2csc3c(Br)cccc23)c1Br 2192376101 TUUKVVVZGBAJQO-LBPRGKRZSA-N 479.035 5.953 50 10 JKGE Clc1cc(Cl)cc(CO[C@@H](CI)c2cccc(Br)c2)c1 2197895395 CRBDNFOZOZWQCH-HNNXBMFYSA-N 485.974 6.449 50 10 JKGE Brc1cc([C@H](Br)[C@@H]2OC[C@H]3CCCC[C@H]32)c(Br)s1 2218098230 HGKLNKLRTMPKCF-VZJNWSLWSA-N 459.041 5.914 50 10 JKGE COc1cc(Br)c([C@H](Br)c2ccsc2Br)cc1C 2220445233 NXTPFIVUCYVXJR-GFCCVEGCSA-N 455.009 6.074 50 10 JKGE CC[C@@H]1CC[C@H]([C@@H](Br)c2c(Br)cc(Cl)c(Cl)c2Cl)O1 2224318444 WSSUOJJJWNBQRV-KNBVPPQFSA-N 451.413 6.803 50 10 JKGE CCCC(CBr)(CBr)Cc1c(Br)sc2ccccc12 2224707345 DIJNHMHWYFRDRV-UHFFFAOYSA-N 469.080 6.783 50 10 JKGE CC1(C)CC12CC([C@H](Br)c1cc(Br)c(Br)cc1F)C2 2225617165 MGAUYQISDGGUGR-KYAFNEOASA-N 455.003 6.613 50 10 JKGE C[C@@]12CC[C@@]([C@@H](Br)c3cc(Br)c(Br)cc3F)(CO1)C2 2225619836 NXELMZALYZUHIC-IHRRRGAJSA-N 456.975 5.746 50 10 JKGE COc1cc(Br)ccc1[C@@H](Br)c1c(C)sc(Br)c1C 2225865767 MOOCNKRBXMEUTK-CYBMUJFWSA-N 469.036 6.383 50 10 JKGE C[C@@H]1CCC[C@H](COc2c(Br)cc(Br)cc2CBr)O1 2226841255 TZGDXFJGUJULOM-BXKDBHETSA-N 457.000 5.443 50 10 JKGE Clc1cc(Br)c([C@@H](Br)C2C[C@H]3CC[C@H](C2)C3)c(Cl)c1Cl 2232528752 JAHQUURDUXRATQ-UPFKWVMWSA-N 461.452 7.672 50 10 JKGE O=C(c1scc(Br)c1Br)N1CC[C@H]2[C@H](CCC[C@H]2Br)C1 2233744790 CNBMLAKTWMQOLQ-KXUCPTDWSA-N 486.067 5.299 50 10 JKGE Fc1cc(Br)c(Br)cc1[C@@H](Br)Cc1cccc(Cl)c1F 2233975169 ITNUWZSLSJXZMM-VIFPVBQESA-N 489.379 6.822 50 10 JKGE Cc1cc(Br)c([C@H](Cl)c2c(Br)c(C)nn2C)c(C)c1Br 2235612000 MLKKPMCMESIITI-ZDUSSCGKSA-N 485.445 5.961 50 10 JKGE Clc1cc([C@@H](Br)c2ccc([C@H]3CCOC3)s2)ccc1I 2240427350 RJYAFFXJAWXPER-ZUZCIYMTSA-N 483.596 5.994 50 10 JKGE Clc1cc(CN2[C@H](CBr)C[C@@H]3CCCC[C@H]32)ccc1I 2240675371 VZYRBRRMUWCAGG-HEHGZKQESA-N 468.604 5.473 50 10 JKGE Cc1cc(Cl)c(Cl)cc1[C@@H](Br)c1csc(Br)c1Br 2253407650 CFMJONYNQUWLPP-SNVBAGLBSA-N 493.873 7.373 50 10 JKGE CC[C@H]1CN(CCCCCCCBr)[C@H](CC)CN1C(=O)OCc1ccccc1 2263167648 WOTYZMNKRCANQR-YADHBBJMSA-N 453.465 5.843 50 10 JKGE CC(C)[C@@H](CCl)N(Cc1ccccc1)C(=O)Cc1cc(Br)cc(Br)c1 2263486084 UXIHCBXXSNZQCN-LJQANCHMSA-N 487.663 6.046 50 10 JKGE COC1([C@H](Br)c2c(Br)cc(Cl)c(Cl)c2Cl)CC(C)C1 2266351860 WQROTEKNOJTSKE-SKPUXYCPSA-N 451.413 6.660 50 10 JKGE COc1c([C@@H](Br)c2ccoc2Br)cc(Br)c(C)c1C 2269161191 BWXYSHOSUJRYHS-LBPRGKRZSA-N 452.968 5.914 50 10 JKGE Brc1cc(Br)cc(C[C@@H](Br)CCCc2cccs2)c1 2277966781 VUKXKFDTLBHAAJ-LBPRGKRZSA-N 467.064 6.602 50 10 JKGE Clc1c(Br)csc1[C@H](Cl)c1cc2c(cc1Br)OCCO2 2279288294 PZXKVTMWUFGUPV-LLVKDONJSA-N 458.986 6.026 50 10 JKGE Fc1cc([C@@H](Br)c2cc(Br)c(Cl)cc2F)c(F)cc1Br 2282136335 QKQPRBCVWSEFAZ-ZDUSSCGKSA-N 493.342 6.767 50 10 JKGE COc1c([C@H](Cl)c2cscc2OCc2ccccc2)cc(Br)c2c1CCC2 2284517102 OTXANBSRPSIWRY-NRFANRHFSA-N 463.824 6.915 50 10 JKGE COc1cc(C=C(C#N)C(=O)NCc2ccccc2)ccc1OC(=O)CCCOc1cc(C)ccc1C 2293190904 YDASCEVCATYEPA-UHFFFAOYSA-N 498.579 5.300 50 10 JKGE COc1cccc(-c2csc(C(C#N)=CNc3ccccc3OC(F)(F)[C@H](F)Cl)n2)c1 2295948522 DEEZYFLQQYEFEK-FQEVSTJZSA-N 465.884 6.301 50 10 JKGE Cc1cccn2c(=O)c(C=C(C#N)c3nc4ccccc4[nH]3)c(Oc3ccc(Cl)cc3Cl)nc12 2296721716 FHSTYFQMCVQHFO-UHFFFAOYSA-N 488.334 6.043 50 10 JKGE N#CC(=Cc1ccc(-c2ccc([N+](=O)[O-])cc2Cl)o1)c1nc(-c2ccc(F)cc2)cs1 2296819159 FZNPKCRFWROEMM-UHFFFAOYSA-N 451.866 6.835 50 10 JKGE N#CC(=Cc1ccc(OC(=O)c2ccc(Cl)cc2Cl)cc1)C(=O)Nc1ccc([N+](=O)[O-])cc1 2297616766 WOIRMNJXFGAABP-UHFFFAOYSA-N 482.279 5.666 50 10 JKGE CC1CCC([C@H](Br)c2ccc(OCc3ccccc3)cc2Br)CC1 2299529630 DWCDONANAIAWJS-GRXDXKALSA-N 452.230 7.290 50 10 JKGE Cc1ccc(NC(=O)C(C#N)=Cc2cc(Cl)ccc2OCc2cccc(Cl)c2)c(C)c1 2313667777 WDUHGDVIEICVND-UHFFFAOYSA-N 451.353 6.735 50 10 JKGE Fc1cc(Cl)c(Br)c(Cl)c1[C@H](Cl)c1nscc1Br 2313823219 BZBOADMKAYIKGS-VIFPVBQESA-N 454.373 6.442 50 10 JKGE Cc1nn(C)c([C@H](Br)c2ccc(OCc3ccccc3)cc2Br)c1Cl 2314447273 ZIIUBDVQQZBBNB-QGZVFWFLSA-N 484.619 6.208 50 10 JKGE C[C@@H]1CC([C@H](Br)c2cc(Br)ccc2OCc2ccccc2)C[C@@H](C)O1 2314451618 GSNQQTQRJDEXAM-PZPWOCDFSA-N 468.229 6.668 50 10 JKGE N#CC(=Cc1cn(-c2ccccc2)nc1-c1ccccc1)C(=O)Nc1sc2c(c1C(N)=O)CCCC2 2314480723 LVSFOCFZPYLSAK-UHFFFAOYSA-N 493.592 5.124 50 10 JKGE C[C@H]1OC2(C)CC1([C@H](Br)c1cc(Br)ccc1OCc1ccccc1)C2 2314501066 TYYSCWYOHBFANX-VMVSDCNISA-N 466.213 6.422 50 10 JKGE CCOC(=O)c1c(NC(=O)C(C#N)=Cc2ccc(-c3ccccc3)o2)sc2c1CC[C@@H](C)C2 2314571090 BFRFFLPYKWTZNC-MRXNPFEDSA-N 460.555 5.855 50 10 JKGE COc1cc(C=C(C#N)C(=O)NCc2ccccc2)ccc1OC(=O)COc1cccc(C(C)C)c1 2314737001 GCLSFCOTYYGCLJ-UHFFFAOYSA-N 484.552 5.026 50 10 JKGE COc1ccc([C@@H](Br)c2sc(Cl)cc2I)cc1Cl 2316778547 YGAOXGWXEQIPNZ-LLVKDONJSA-N 477.976 6.152 50 10 JKGE CC[C@H](C)[C@H](NC(=O)OC(C)(C)C)C(=O)NN=Cc1ccccc1OCc1ccc(Cl)cc1 2328821115 FDROPSJYUNOKSX-JTSKRJEESA-N 474.001 5.309 50 10 JKGE CCOC(=O)c1c(NC(=O)C(C#N)=Cc2cccc(F)c2)sc(C(=O)OC2CCCCC2)c1C 2329674024 ZKNRYUMYWVHPST-UHFFFAOYSA-N 484.549 5.408 50 10 JKGE COc1ccc(-c2csc(C(C#N)=C(O)[C@@H]3CC(=O)N([C@@H](C)c4ccccc4)C3)n2)cc1OC 2331242536 LXLJEKFQLIYHCQ-QFBILLFUSA-N 475.570 5.230 50 10 JKGE COc1cccc(-c2csc(C(C#N)=C(O)CCCOc3cc(C)c(Cl)c(C)c3)n2)c1 2331248623 DSTIZSJTWIWQTA-UHFFFAOYSA-N 454.979 6.741 50 10 JKGE N#CC(=C(O)c1ccc2c(c1)C(=O)N(Cc1ccccn1)C2=O)c1nc(-c2cccc(Cl)c2)cs1 2331293768 AJTHDLYCTGJQMN-UHFFFAOYSA-N 498.951 5.605 50 10 JKGE Cc1ccc(-c2csc(C(C#N)=C(O)c3ccc4c(c3)C(=O)N(c3ccccc3Cl)C4=O)n2)cc1 2331312465 ZAGLGEPHQUBCLN-UHFFFAOYSA-N 497.963 6.522 50 10 JKGE CC(C)[C@@H](C(O)=C(C#N)c1nc(-c2ccc(C(C)(C)C)cc2)cs1)N1C(=O)c2ccccc2C1=O 2331331615 WAGFRPATHVDMRC-QHCPKHFHSA-N 485.609 6.221 50 10 JKGE CCc1ccc(-c2csc(C(C#N)=Cc3cccc(OC)c3OCc3cccc(C)c3)n2)cc1 2331418032 BCGWHBVWGVFBLH-UHFFFAOYSA-N 466.606 7.333 50 10 JKGE Cn1ncc(Cl)c1[C@H](Cl)c1c(Cl)cc(Br)c(F)c1Br 2337084886 QYQBXJUXDZTJLH-SECBINFHSA-N 451.348 5.719 50 10 JKGE Fc1c(Br)cc(Cl)c([C@@H](Cl)C(F)(F)C(F)(F)F)c1Br 2337097304 LFKCDPLAXGEGLX-SSDOTTSWSA-N 454.817 6.482 50 10 JKGE Fc1c(Br)cc(Cl)c([C@@H](Br)[C@H]2CC23CCCC3)c1Br 2337110391 AFBJGCIORQJIRE-HQJQHLMTSA-N 475.421 7.020 50 10 JKGE CC(C)(CCCl)c1nnc(-c2cc(Br)ccc2I)o1 2337166400 XZWNVQQAWNRLDU-UHFFFAOYSA-N 455.521 5.010 50 10 JKGE Cc1cc(Br)c(F)c(Br)c1[C@@H](Br)C[C@H](C)C(F)(F)F 2339651227 NOVHUYYMFFEYQI-BQBZGAKWSA-N 470.924 6.684 50 10 JKGE C[C@@H](Br)CN(C(=O)c1csc(Br)c1Br)C1CCCC1 2342918830 XNFFJCIMMIBHPU-MRVPVSSYSA-N 474.056 5.441 50 10 JKGE CC[C@@H](C)NCc1cc(Br)c(OC[C@@H]2C[C@@H]2Br)c(Br)c1 2358923144 ZEIHPMCMPDSDES-USWWRNFRSA-N 470.043 5.262 50 10 JKGE FC(F)(F)c1ccccc1[C@@H](Cl)c1ccc(OCc2ccccc2)cc1Br 2361215435 TVMWXSDRSKJFIO-HXUWFJFHSA-N 455.701 7.375 50 10 JKGE CN(Cc1c(Br)cccc1Br)c1c(F)cccc1CBr 2366162874 UQUVAUPATCDHBL-UHFFFAOYSA-N 465.986 5.882 50 10 JKGE COc1ccc(/C=N/NC(=O)c2ccc(Cl)cc2Cl)cc1COc1cc(C)c(Cl)c(C)c1 1949539 GUFLUGADRCSNQF-KVSWJAHQSA-N 491.802 6.615 50 10 JKGE O=C(COc1ccccc1-c1ccccc1)NNC(=O)N1c2ccccc2Sc2ccccc21 13988795 OYIYHXTUIHRPAJ-UHFFFAOYSA-N 467.550 5.776 50 10 JKGE CCN(CC)c1ccc(/C=N/NC(=O)c2cc(Br)ccc2OCc2ccccc2)cc1 27528095 XPSFFEIKCZQPFG-WPWMEQJKSA-N 480.406 5.638 50 10 JKGE Cc1cc([N+](=O)[O-])ccc1-c1ccc(/C=C(/C#N)C(=O)Nc2ccc(Cl)cc2[N+](=O)[O-])o1 33930195 ROAOVDRZOICRPD-LCYFTJDESA-N 452.810 5.271 50 10 JKGE CCNC(=O)/C(C#N)=C\c1cn(-c2ccccc2)nc1-c1cccc(OCc2ccccc2Cl)c1 35446032 AVGCXSMRIZAUMG-JCMHNJIXSA-N 482.971 5.815 50 10 JKGE CC(C)(CCl)C(=O)Nc1cccc([C@H]2SCC(=O)N2c2ccc(C(F)(F)F)cc2)c1 35927059 AQBFNWPONPXZIY-GOSISDBHSA-N 456.917 5.688 50 10 JKGE CCCCCOc1ccc(/C=C2/C(=O)N(Cc3ccccc3Cl)C(=O)C(C#N)=C2C)cc1OC 38608771 HCQVQZGOMQOOOB-KGENOOAVSA-N 478.976 5.710 50 10 JKGE Cc1cc(C)cc(OCC(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@H]3c2ccc(Cl)c(Cl)c2)c1 38655968 LVGDVLZGFIXLIA-VWLOTQADSA-N 495.362 5.813 50 10 JKGE C=CCOc1ccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)COc4cccc(C)c4C)ccc32)cc1 38658208 IZELVCHQZANNIA-NDEPHWFRSA-N 482.536 5.071 50 10 JKGE CCCCCOc1ccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4ccccc4[N+](=O)[O-])ccc32)cc1 38685396 LGGCOAVLFWRSCH-AREMUKBSSA-N 499.523 5.601 50 10 JKGE COc1ccc(OC)c([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4oc5ccc(C)cc5c4C)ccc32)c1 38688759 NNIKEMCYJJXQQN-SANMLTNESA-N 496.519 5.504 50 10 JKGE CCOc1cccc(-c2nn(-c3ccccc3)cc2/C=C(\C#N)C(=O)NCc2ccc(C)cc2)c1 39850227 QULISJZEZFPHNW-LFVJCYFKSA-N 462.553 5.470 50 10 JKGE COc1ccccc1/C=C(\C#N)C(=O)Oc1ccc(/C=C(\C#N)c2ccc(Cl)cc2)cc1OC 40864682 DPGRZZPJXGSIPS-NTZRDTQNSA-N 470.912 5.934 50 10 JKGE COc1cc(/C=N/NC(=O)[C@@H](C)Oc2cc(C)c(Cl)c(C)c2)ccc1OCc1ccccc1C 40960383 WGBFQSBWCWHKFM-RUOGATEASA-N 480.992 5.770 50 10 JKGE CC(C)Cc1ccc([C@H](C)C(=O)N/N=C/c2ccccc2OCc2ccc(C(=O)O)cc2)cc1 59148642 JRORSYXUUQRGDZ-CGKHLXHRSA-N 458.558 5.416 50 10 JKGE CCOc1cc(/C=N/NC(=O)c2cc3ccccc3o2)cc(Cl)c1OCc1ccc([N+](=O)[O-])cc1 59303719 XWGCONAWNSNLHH-MZJWZYIUSA-N 493.903 5.736 50 10 JKGE Brc1cc([C@@H](Br)c2ccccc2Br)c(Br)s1 71101592 KCFRWCPILUSHTO-JTQLQIEISA-N 489.852 6.520 50 10 JKGE CC(C)c1ccc(N2C(=O)[C@H](Cc3ccc(F)cc3)S/C2=C(/C#N)C(=O)NCc2ccco2)cc1 101242164 BMJQLSSXMJIEKS-FYAMCCBRSA-N 489.572 5.285 50 10 JKGE C[C@@H](NC(=O)/C(C#N)=C1/N=C(NC(=O)c2ccc(Cl)cc2Cl)c2ccccc21)c1ccccc1 102673761 XHGHOKCXDAEWRP-BOKHOTKZSA-N 489.362 5.296 50 10 JKGE Fc1ccc(Br)c(C[C@@H](CBr)c2cccc(Br)c2)c1 118661254 GOMNSDQRVLIJJU-LBPRGKRZSA-N 450.971 6.072 50 10 JKGE Cc1cc(Br)c([C@@H](Br)c2ccc(F)cc2C)cc1Br 127570330 AIIBUOVCIKWCBR-HNNXBMFYSA-N 450.971 6.452 50 10 JKGE COc1cc(Cl)c([C@@H](Cl)c2cc(Br)c(Br)s2)cc1OC 128543934 ZEQAGKUSELCAMX-GFCCVEGCSA-N 461.002 6.272 50 10 JKGE CCOc1cc(Cl)c([C@@H](Br)c2ccc(C)cc2Br)cc1Cl 164572806 JKSWNABSIJDSOY-INIZCTEOSA-N 453.001 6.947 50 10 JKGE Br[C@@H](CCCOCCC[C@H](Br)Cc1ccccc1)Cc1ccccc1 168251239 TYECBZOJCUHCAY-VXKWHMMOSA-N 468.273 6.576 50 10 JKGE CCCOc1ccc(-c2nn(-c3ccccc3)cc2/C=C2\C(=O)N(CC)C(=O)C(C#N)=C2C)cc1C 214209125 QRQJMSAJGKDUFB-JLPGSUDCSA-N 480.568 5.249 50 10 JKGE Cc1cc(Br)c([C@@H](Br)c2ccc(Br)cc2C(F)(F)F)s1 229518538 IBLOPTAYDXDCCL-NSHDSACASA-N 492.980 7.085 50 10 JKGE CCCCc1ccc([C@H](Br)c2cc(Br)sc2Br)cc1 232998139 ALBSHBHJKPNKHA-AWEZNQCLSA-N 467.064 7.100 50 10 JKGE CCC(=NNC(=O)CSc1nc2ccccc2n1Cc1ccccc1Cl)c1ccc(O)cc1 252588961 AGHQQBCIPRHVTJ-UHFFFAOYSA-N 479.005 5.466 50 10 JKGE Cc1ccc(-c2nnc(SCC(=O)NN=C/C=C\c3ccccc3[N+](=O)[O-])n2-c2ccccc2)cc1 254771700 ZZTZUVHRBANHKQ-LWGHUWBISA-N 498.568 5.058 50 10 JKGE C[C@H]1C[C@H](Oc2c(Br)cc(Br)cc2CBr)CC[C@H]1C 311647766 SVSLUJNQTWFVNG-GBIKHYSHSA-N 455.028 6.310 50 10 JKGE CCc1cc(CC)c([C@@H](Br)c2sccc2I)c(CC)c1 313000791 YRDSZGIESQLDOG-MRXNPFEDSA-N 463.222 6.524 50 10 JKGE O=C(OCc1ccccc1)N1C[C@H](CBr)[C@@H](c2cc(Br)cs2)C1 382724445 PFZKPKVSDQSMMJ-ZFWWWQNUSA-N 459.203 5.258 50 10 JKGE ClCCc1nc2cc(Br)cnc2n1CCCN(Cc1ccccc1)Cc1ccccc1 390491519 AKRAEZURUSMMPW-UHFFFAOYSA-N 497.868 6.068 50 10 JKGE O=C(NCCCN(Cc1ccccc1)Cc1ccccc1)c1ccc(CBr)cc1 390590342 SGAIWKIIQKCADA-UHFFFAOYSA-N 451.408 5.404 50 10 JKGE Cc1c(I)cccc1-n1c(CCl)nc2cccc(Br)c21 697736045 KKIIIZVDEWXFKU-UHFFFAOYSA-N 461.528 5.440 50 10 JKGE C[C@@H](Cl)c1nc2c(Cl)cccc2n1CC1(N(Cc2ccccc2)Cc2ccccc2)COC1 705609791 KAFKKHMDGZJCFW-HXUWFJFHSA-N 480.439 6.461 50 10 JKGE Fc1cc(Br)cc(CBr)c1OCc1ccc(Br)s1 715791309 HBFHDUGYXXYHOQ-UHFFFAOYSA-N 458.972 5.886 50 10 JKGE C[C@H]1Cc2cc(Br)cc([C@@H](Br)c3cscc3Br)c2O1 720022924 DVTIVOKIZUNZOF-WPPNPWJKSA-N 467.020 6.081 50 10 JKGE Fc1ccccc1C[C@H](Br)c1ccc(I)c(Br)c1 721571724 IKKGNPGOFZNYBD-NSHDSACASA-N 483.944 5.872 50 10 JKGE Cc1c(Cl)cccc1NC(=O)/C(C#N)=C\c1cc(Cl)ccc1OCc1cccc(Cl)c1 1083973924 NSZPIHRYDBBBCE-WQRHYEAKSA-N 471.771 7.080 50 10 JKGE Cc1cc(C)cc(CSCC(=O)NN=Cc2c(Br)c(C)n(-c3ccccc3)c2C)c1 1084358907 AYIHYCZZWHLKGW-UHFFFAOYSA-N 484.463 5.857 50 10 JKGE CC(C)Cc1ccc([C@H](C)C(=O)NN=C2C(=O)N(Cc3cccc4ccccc34)c3ccccc32)cc1 1084374531 AXASQEUPSWQOLH-QFIPXVFZSA-N 489.619 6.209 50 10 JKGE COc1ccc(C=NNC(=O)c2ccc(-n3c(C)ccc3-c3ccccc3)cc2)cc1Cc1ccccc1 1084588523 SGXVMPSVIQKHTG-UHFFFAOYSA-N 499.614 6.816 50 10 JKGE CCOc1cc(C=NNC(=O)c2ccccc2Br)ccc1OCc1ccc(C)cc1 1084639717 FNPATWHKRBHQIZ-UHFFFAOYSA-N 467.363 5.499 50 10 JKGE C=CCc1cc(C=NNC(=O)c2cc3ccccc3o2)cc(OC)c1OCc1ccc2ccccc2c1 1084640425 OIKVBLXNKQNSBJ-UHFFFAOYSA-N 490.559 6.666 50 10 JKGE CC(C)(C)C1CCC(OC(=O)COc2cccnc2NC(=O)Nc2ccc(SC#N)cc2)CC1 1858852506 YXSNBNKAFGZNDR-UHFFFAOYSA-N 482.606 5.826 50 10 JKGE CCOc1cc([C@H]2C(C#N)=C(N)Oc3c2c(-c2ccccc2)nn3C)ccc1OCc1ccccc1C 1865702799 FMBLTLMTKNMVRY-SANMLTNESA-N 492.579 5.591 50 10 JKGE CCCN(CCC)c1cccc(C(=O)N[C@@H](C(=O)Nc2ccc(SC#N)cc2)c2ccccc2)n1 1866599682 DOCWRWMPSPTFAE-RUZDIDTESA-N 487.629 5.391 50 10 JKGE CCCC[C@@H](NC(=O)C[C@@H](c1ccc(OC)c(C)c1)C(C)C)C(=O)Nc1ccc(SC#N)cc1 1866774945 JTRUAPFNTFZQLP-DNQXCXABSA-N 481.662 6.020 50 10 JKGE Cc1nc(C(C)C)c(C(=O)N[C@H](C(=O)Nc2ccc(SC#N)cc2)c2ccccc2)s1 1867155465 QJYWIHBTZRANGN-FQEVSTJZSA-N 450.589 5.258 50 10 JKGE CCn1c(/C(C#N)=C/c2ccc(OCc3ccc(Br)cc3)cc2)nc2ccccc21 1872730334 BTPWVKJBADREKA-HMMYKYKNSA-N 458.359 6.462 50 10 JKGE N#C/C(=C(/O)C(c1ccccc1)c1ccccc1)c1nc(-c2ccc(Br)cc2)cs1 1872746769 XHSAGEADDKGYJV-FLFQWRMESA-N 473.395 7.197 50 10 JKGE COc1ccc(OC)c(/C=C/C(O)=C(\C#N)c2nc(-c3cc(C(C)C)c(OC)cc3C)cs2)c1 1872753632 GUJVPYBKYLXZCO-PFZNQNGKSA-N 476.598 6.774 50 10 JKGE CCOc1cc(/C=C(\C#N)c2nc(-c3c[nH]c4ccccc34)cs2)ccc1OCc1ccccc1 1872791584 MLQXKXALSOZMHN-HYARGMPZSA-N 477.589 7.333 50 10 JKGE Cc1nsc(Br)c1[C@H](Br)c1cc(Br)cc2c1O[C@@H](C)C2 1912934531 ZPWUNWLHUYGJPH-PWCHPLFNSA-N 482.035 5.784 50 10 JKGE O=S(=O)(c1c(Cl)cc(Br)cc1Cl)N(CCCCl)Cc1ccccc1 1914610992 VZKJGOLDHPFPMI-UHFFFAOYSA-N 471.631 5.576 50 10 JKGE O=C(c1c(Cl)cccc1C(F)(F)F)N(Cc1ccccc1)[C@H](CBr)C1CC1 1915270433 HFRZFNFYIVRFJY-QGZVFWFLSA-N 460.721 6.175 50 10 JKGE O=C(c1cc(Br)ccc1F)N(Cc1ccccc1)C1(CBr)CCC1 1915757101 UEQIRLDNEHSOSM-UHFFFAOYSA-N 455.165 5.548 50 10 JKGE Cc1c(Br)sc([C@H](Br)c2cc(Cl)cc(Cl)c2)c1Br 1922895957 AUYMGHSZLQCZRB-SNVBAGLBSA-N 493.873 7.373 50 10 JKGE Brc1cc(Br)c([C@H](Br)[C@@H]2CC[C@H]3CCCC[C@H]3C2)s1 1922955019 VIWFGXUDMPXAAY-FBKDDSFISA-N 471.096 7.316 50 10 JKGE Cc1ccc([C@H](Br)c2c(Br)sc(Br)c2Cl)cc1C 1923038732 KKYQDNATRQJWTI-JTQLQIEISA-N 473.455 7.028 50 10 JKGE CCCC1([C@@H](Br)c2c(Br)sc(Br)c2Cl)CC1 1923068908 YPOQTJDDCUICJE-QMMMGPOBSA-N 451.449 6.943 50 10 JKGE C[C@]1([C@H](Cl)c2c(Br)sc(Br)c2Br)CC1(F)F 1924568286 DRTMLVDWKBPVJM-SVGQVSJJSA-N 459.375 6.361 50 10 JKGE CC[C@]1([C@@H](Cl)c2c(Br)sc(Br)c2Br)CCCO1 1924616986 WAPJEHYUVGVDDL-GZMMTYOYSA-N 467.448 6.275 50 10 JKGE Clc1ccc(Br)c([C@@H](Br)c2c(Cl)sc(Cl)c2Cl)c1 1925588245 OAQPDZSKONLTMI-MRVPVSSYSA-N 469.840 7.609 50 10 JKGE C=CCC(CBr)(CBr)Cc1cccc(Br)c1Br 1943888046 WTRMQAASELFKSR-UHFFFAOYSA-N 489.871 6.106 50 10 JKGE Clc1cc([C@@H](Cl)c2c(Br)cccc2Br)sc1Br 1945321034 DKVSGMJKBCNWJD-SNVBAGLBSA-N 479.846 7.017 50 10 JKGE CCN(C[C@@](C)(CI)O[C@@H]1CC[C@H]2CC[C@H]1C2)C(=O)OC(C)(C)C 1947121911 BZYOLKSGHLLMDH-YYAJDYIMSA-N 451.389 5.032 50 10 JKGE Cc1ccc([C@H](Br)c2cscc2OCc2ccccc2)c(C)c1Br 1950320629 IUWCKTIYYAGYDO-FQEVSTJZSA-N 466.238 7.191 50 10 JKGE CCCC[C@H](Cl)c1c(Br)c(Br)cc(Br)c1Br 1995047025 CNYBQFQCTSTJSB-QMMMGPOBSA-N 498.278 7.207 50 10 JKGE CC(C)(COc1c(Br)cc(Br)cc1CBr)C(F)F 2028650741 GHTAZMHVEYNRII-UHFFFAOYSA-N 450.943 5.777 50 10 JKGE CC(C)(C[C@@H](Br)c1cc(Br)ccc1Br)C(F)(F)F 2033016217 WDFYPAJRJQHHLI-SNVBAGLBSA-N 452.934 6.626 50 10 JKGE N=C(CCl)NCCC[C@@H](NC(=O)c1ccc(-c2ccccc2)cc1)c1nc2ccccc2[nH]1 2037521540 YDOAWJHYHGBQFI-HSZRJFAPSA-N 459.981 5.287 50 10 JKGE Clc1cc([C@@H](Cl)c2cscc2OCc2ccccc2)c(Cl)c(Cl)c1Cl 2038688730 PIVUVESNLAYOIY-OAHLLOKOSA-N 452.617 8.269 50 10 JKGE CC1(C)CCC([C@@H](Br)c2c(Br)sc(Br)c2Cl)CC1 2039359169 ILTNSEVERZFHBO-SECBINFHSA-N 479.503 7.579 50 10 JKGE Cc1ccc(NC(SCC(=O)Nc2ccc3ccccc3c2)=C(C#N)C(=O)N2CCCC2)cc1C 2040842289 YXPYKQHQCGFLSH-UHFFFAOYSA-N 484.625 5.598 50 10 JKGE CC(C)(C)[C@@H](C[C@@H](Br)c1cc(Br)sc1Br)C(F)F 2048750543 WIWANINNFDKQIU-JGVFFNPUSA-N 469.027 7.027 50 10 JKGE Clc1c(Br)sc(Br)c1[C@H](Br)C[C@@H]1CCC[C@@H]2C[C@H]12 2057346706 QHOOUJRHJDCATI-RYPBNFRJSA-N 477.487 7.189 50 10 JKGE FC1(F)C[C@]12CC[C@H]([C@@H](Br)c1c(Cl)sc(Br)c1Cl)C2 2099914135 CZEVIRANKPJUSM-AODONOJDSA-N 454.989 7.079 50 10 JKGE Brc1cc2c(c([C@H](Br)c3cc(Br)sn3)c1)OCCC2 2120033408 SRJPMBVKKIMTPD-LBPRGKRZSA-N 468.008 5.477 50 10 JKGE Cc1cc(Br)c(C)c([C@H](Br)C[C@@]23CCC[C@H]2C3)c1Br 2136379671 MXUWICKCPGNBMG-GHJWDPDVSA-N 451.040 6.845 50 10 JKGE Cc1c(Br)ccc([C@H](Br)[C@@]23CC[C@@H](C2)[C@H](C)O3)c1Br 2138847857 BAJSJOHLLVNSDF-FCIDVOKBSA-N 453.012 5.914 50 10 JKGE Cc1c(Br)ccc([C@@H](Br)c2ccc(F)c(Cl)c2)c1Br 2138852187 MRABLQDGSMDQTF-AWEZNQCLSA-N 471.389 6.797 50 10 JKGE Cc1c(Br)ccc([C@@H](Br)C2(C(C)(C)C)CCC2)c1Br 2138853146 VBQOYAMRMZDBGB-CQSZACIVSA-N 453.056 7.172 50 10 JKGE Brc1ccccc1[C@H](CI)OCCOC1CCCCC1 2143646913 BSHBIHDTLCKANC-INIZCTEOSA-N 453.158 5.291 50 10 JKGE COc1cc(C)c(Br)cc1[C@@H](Cl)Cc1ccccc1I 2143869145 WJHDDKMHLKVQNE-AWEZNQCLSA-N 465.556 5.893 50 10 JKGE CC(C)(CC(F)(F)F)[C@@H](Br)c1cc(I)cc2c1OCC2 2145283461 LNTYPSSNAAGJCE-LBPRGKRZSA-N 463.075 5.641 50 10 JKGE C[C@@H]1Cc2cc([C@@H](Br)c3ccccc3OCc3ccccc3)cc(Br)c2O1 2146624794 DPUKPZPGOYKFBB-IVZQSRNASA-N 488.219 6.836 50 10 JKGE C[C@@H]1Cc2cc([C@@H](Br)c3cccc(Br)c3)cc(Br)c2O1 2146629075 QDKNEPRKHNAFFP-PSLIRLAXSA-N 460.991 6.019 50 10 JKGE C[C@@H](Cl)c1nc2ccc(F)c(Br)c2n1C1CC(COCc2ccccc2)C1 2149050356 GHDISXQAFLLYGB-IUDNXUCKSA-N 451.767 6.406 50 10 JKGE CN(c1c(CCl)ccc(Br)c1Cl)[C@@H]1C[C@@H]2CC[C@H](C1)N2Cc1ccccc1 2154374453 XBIDQFOQYZODFG-BWTSREIZSA-N 468.266 6.473 50 10 JKGE O=C(c1cc(Br)cc(Br)c1)N1CC[C@@H](Br)CC12CCC2 2169888042 NWABLSKKKLBCOH-LLVKDONJSA-N 466.011 5.134 50 10 JKGE CN(c1cc(Br)cc(F)c1CCl)[C@@H]1C[C@@H]2C[C@@H](OCc3ccccc3)C[C@@H]21 2190537638 QHSZQUWMFPKAIL-CQSHLORDSA-N 452.795 6.147 50 10 JKGE C[C@@H]1O[C@@]2(COc3c(Br)cc(CBr)cc3Br)CC[C@H]1C2 2198673402 DCDZYDLPXJIWBU-ZSGNIPIJSA-N 469.011 5.443 50 10 JKGE Fc1ccccc1[C@@H](CI)OCc1cc(Cl)ccc1Br 2200752312 MYUJVZPEDXEZCK-OAHLLOKOSA-N 469.519 5.935 50 10 JKGE Cc1cc(Br)c(C)c([C@@H](Br)C(C)(C)[C@@H]2CCCO2)c1Br 2201065886 VAVXOTLGXZHSLW-SWLSCSKDSA-N 469.055 6.470 50 10 JKGE Brc1ccc([C@@H](Br)Cc2ccc(Br)c3nsnc23)cc1 2202023722 CGMDVMJAXKKLOX-LBPRGKRZSA-N 477.019 5.895 50 10 JKGE COc1cc(Cl)c([C@H](Br)c2ccc(Br)cc2F)cc1Br 2202354040 VLHGNSNDYZCWNW-CQSZACIVSA-N 487.388 6.497 50 10 JKGE COc1cc(F)c([C@@H](Cl)c2cccc(C)c2I)cc1Br 2202914529 WBQFZYZEPDKSDG-AWEZNQCLSA-N 469.519 5.838 50 10 JKGE Clc1ccc(I)c([C@H](Br)c2ccc(-c3cccs3)s2)c1 2205859969 MTUDXWVGCCGWOC-HNNXBMFYSA-N 495.632 7.219 50 10 JKGE CCOCc1cc(Br)c([C@@H](Br)c2cc(Br)sn2)s1 2217983075 ISBGTFJBJDJPCF-JTQLQIEISA-N 476.053 5.750 50 10 JKGE Clc1cc(Br)ccc1C[C@@H](Cl)c1scc(Br)c1Br 2221698076 SCCBRNBDAFTQAJ-SNVBAGLBSA-N 493.873 7.212 50 10 JKGE Cc1cccc([C@@H](Br)c2cc(Br)c(Br)cc2F)c1Cl 2225617533 PGZVLEGYSSZNJX-CYBMUJFWSA-N 471.389 6.797 50 10 JKGE Cc1cc(Br)c([C@H](Br)[C@H]2[C@H]3OCCC[C@@H]32)c(C)c1Br 2227350357 HIWVBZVDQVTFRI-JYBASQMISA-N 453.012 5.689 50 10 JKGE CC[C@@]1([C@@H](Br)c2c(Br)cc(C)c(Br)c2C)CC1(F)F 2227369675 ODTQIFPRFBINHY-STQMWFEESA-N 460.982 6.700 50 10 JKGE Cc1sc(C(=O)N[C@@H](C)CCCCCI)c(Br)c1C 2229319903 MJLQRFGCEXTWOT-VIFPVBQESA-N 458.203 5.241 50 10 JKGE Cc1ccc(I)c([C@H](Br)c2cc(Cl)c(F)cc2C)c1 2232221780 CUFNTVLKGHRLOT-OAHLLOKOSA-N 453.520 6.185 50 10 JKGE Clc1cc(Br)c([C@H](Br)[C@@H]2C[C@H]3O[C@H]2[C@@H]2C[C@@H]32)c(Cl)c1Cl 2232518925 HVARZALNBJSGPB-HWFMCPSMSA-N 461.408 6.269 50 10 JKGE CC1(C)[C@H]2CC[C@@H](C2)[C@H]1[C@H](Br)c1cc(Br)c(Br)cc1F 2233978197 YYOVHJJPINVTHE-WDQYXFPCSA-N 469.030 6.859 50 10 JKGE Cc1cc(Br)c([C@@H](Br)[C@@H]2[C@H]3CCCCC[C@H]32)c(C)c1Br 2235603965 LQLJACCKERSENE-PZNPJNSTSA-N 465.067 7.091 50 10 JKGE COc1cc(Br)c([C@H](Br)c2cc(Br)ccc2F)cc1C 2236015434 ZOLMTNFZTLQJRD-HNNXBMFYSA-N 466.970 6.152 50 10 JKGE Cc1ccc(I)c([C@H](Cl)c2sc(C)c(C)c2Br)c1 2253496967 NSAGDXSGOUHUDW-ZDUSSCGKSA-N 455.586 6.369 50 10 JKGE Cc1sc([C@@H](Cl)c2cc(Cl)ccc2I)c(Br)c1C 2253514089 VXLUZEJMXAUDSZ-LBPRGKRZSA-N 476.004 6.714 50 10 JKGE COc1ccc([C@H](Cl)c2sccc2I)c(Br)c1Cl 2256323501 QHLLABYAWYWQJE-JTQLQIEISA-N 477.976 6.105 50 10 JKGE Fc1cc(Br)c(F)c(Br)c1[C@@H](Br)CC1(F)CCC1 2259998068 ZGAXXIRLMCREOF-ZETCQYMHSA-N 450.918 6.208 50 10 JKGE Fc1cc(C[C@@H](Cl)c2ccc(Br)cc2I)ccc1Cl 2277805940 BRAPMXMMOHGNJS-GFCCVEGCSA-N 473.938 6.369 50 10 JKGE Fc1ccc([C@H](Br)c2cc3sc(Br)cc3s2)cc1Br 2278104429 YINIAOGRPICYMD-ZDUSSCGKSA-N 485.035 7.111 50 10 JKGE Cc1ccc(I)c([C@H](Cl)c2c(Br)cc(C)c(F)c2C)c1 2279156466 FUVKNJZFYOQTAE-HNNXBMFYSA-N 467.547 6.446 50 10 JKGE Cc1ccc(Br)cc1[C@@H](Cl)c1c(F)cc(Br)c(F)c1Br 2288497185 QAIHCEMXCQJPBB-CYBMUJFWSA-N 489.379 6.889 50 10 JKGE CCc1ccccc1NC(=O)C(C#N)=Cc1cc(C)n(-c2ccc(N3CCOCC3)cc2)c1C 2294187346 CJVUUQCXAVCEIG-UHFFFAOYSA-N 454.574 5.039 50 10 JKGE N#CC(=Cc1cn(CCOc2ccc(Cl)cc2)c2ccccc12)C(=O)NC1CCCCCC1 2294602820 HOZXCNPLXHEEOQ-UHFFFAOYSA-N 461.993 6.120 50 10 JKGE N#CC(=Cc1cc(Br)ccc1OCc1ccccc1)c1nn(-c2ccccc2)c(N)c1C#N 2295146347 IXOOXMWLHVGCSB-UHFFFAOYSA-N 496.368 5.732 50 10 JKGE N#CC(=Cc1cc(Br)ccc1OCc1ccc(Cl)cc1)c1nc2ccccc2s1 2295187824 XGIDTUUYYJNSLC-UHFFFAOYSA-N 481.802 7.355 50 10 JKGE Cc1cc([C@@H](Br)Cc2cc(Br)cc(Br)c2)c(C)cc1F 2295273818 CFNSULHAKQIKCJ-HNNXBMFYSA-N 464.998 6.646 50 10 JKGE COc1c(C)cc(C)cc1[C@H](Br)c1cccc(Br)c1Br 2295299934 WQQXLFWOSUBGIB-CQSZACIVSA-N 463.007 6.321 50 10 JKGE FC1(F)CCC[C@@H]2[C@H]([C@@H](Br)Cc3cc(Br)cc(Br)c3)[C@H]21 2295332553 YHLPLMIRKQLJGW-RQJABVFESA-N 472.993 6.199 50 10 JKGE CC(C)OC(=O)c1ccsc1NC(=O)C(C#N)=Cc1c[nH]nc1-c1ccc(Br)cc1 2295672270 HVWCUHKSAULDFL-UHFFFAOYSA-N 485.363 5.012 50 10 JKGE COc1ccc(-c2csc(C(C#N)=CNc3ccc(I)cc3)n2)cc1 2295882837 GUDBLVMUNVRZIK-UHFFFAOYSA-N 459.312 5.400 50 10 JKGE CCOC(=O)c1c(-c2ccc(F)cc2)csc1NC(=O)C(C#N)=Cc1cccc([N+](=O)[O-])c1 2296833155 HHBXBPXWPLVSCP-UHFFFAOYSA-N 465.462 5.185 50 10 JKGE COc1cccc(NC(SCc2ccc(Cl)cc2)=C(C#N)C(=O)NCc2ccccc2)c1 2297414559 KCXYEECBHXJCSI-UHFFFAOYSA-N 463.990 5.745 50 10 JKGE CC(C)(C)N(CCBr)Cc1ccc(I)c(Br)c1 2306220499 YFBONVSTWYVBQZ-UHFFFAOYSA-N 475.006 5.049 50 10 JKGE COc1ccc(NC(=O)C(C#N)=Cc2cc(Cl)ccc2OCc2ccc(Cl)cc2Cl)cc1 2313540969 GUIVMOHLGOXVFA-UHFFFAOYSA-N 487.770 6.780 50 10 JKGE CCOc1cc(C=C(C#N)C(=O)N(C)C)cc(Br)c1OCc1ccc(Cl)c(Cl)c1 2313567974 MYOPUSAQIOIANW-UHFFFAOYSA-N 498.204 5.729 50 10 JKGE N#CC(=Cc1c(Oc2ccc(F)cc2)nc2ccccn2c1=O)C(=O)Nc1cccc(C(F)(F)F)c1 2314531497 BQROSRSTGGVAPQ-UHFFFAOYSA-N 494.404 5.190 50 10 JKGE CCCOc1ccc(C=C(C#N)C(=O)Oc2ccc(C(=O)Nc3ccc(Cl)cc3)cc2)cc1 2314737663 IBNAFAPFOCVJAX-UHFFFAOYSA-N 460.917 5.894 50 10 JKGE Clc1cc(I)c([C@H](Br)[C@H]2CC3(CCCC3)CO2)s1 2316601315 RAWRRLYZMNFFFQ-MWLCHTKSSA-N 461.590 5.791 50 10 JKGE Cc1ccsc1[C@H](Br)c1c(C)cc(Br)c(F)c1Br 2317396641 UWGNQURPZLJPQD-LLVKDONJSA-N 457.000 6.513 50 10 JKGE COC1(C(F)F)CC([C@@H](Br)c2sc(Cl)cc2I)C1 2320068748 POQMVJZNVOMMRO-GBZMYTLWSA-N 471.532 5.502 50 10 JKGE CC(C)(C)OC(=O)N1CCC[C@](CI)(OC[C@@H]2CC[C@H]2C(C)(C)C)C1 2320179669 JXQNOZXPFMKXNL-RZQQEMMASA-N 465.416 5.280 50 10 JKGE COc1cc(C=C(C#N)c2ccccc2)ccc1OC(=O)[C@H](C)Oc1ccc(Cl)cc1Cl 2320506893 UFNAVPFXWACIJY-INIZCTEOSA-N 468.336 6.439 50 10 JKGE COc1ccccc1C(C#N)=Cc1ccc(OC(=O)[C@H](C)Oc2ccc(Cl)cc2Cl)cc1 2320507386 WRAOXKCWKIPISQ-INIZCTEOSA-N 468.336 6.439 50 10 JKGE Cc1c(OCc2ccc(CCl)cc2)ccc2c1OC(=Cc1ccc(Cl)c(Cl)c1)C2=O 2325339815 RJHMGCOWVNSYMS-UHFFFAOYSA-N 459.756 7.236 50 10 JKGE CC(C)(C)OC(=O)N1CCC(NC=C(C#N)C(=O)NC2CCCCCCCCCCC2)CC1 2325489266 DWMSKDTZXRYQBX-UHFFFAOYSA-N 460.663 5.172 50 10 JKGE Cc1ccc(CBr)c(OCc2nscc2Br)c1Br 2327788122 ALRVAYXHMDBTIE-UHFFFAOYSA-N 455.997 5.450 50 10 JKGE N#CC(=C(O)[C@@H]1CC(=O)N(Cc2ccccc2)C1)c1nc(-c2ccc(-c3ccccc3)cc2)cs1 2331231816 GDTFIXUZZGGERP-XMMPIXPASA-N 477.589 6.318 50 10 JKGE CCc1ccc(-c2csc(C(C#N)=C(O)CN3C(=O)COc4ccc(Cl)cc43)n2)cc1 2331246107 DCWOONPSYPQSJE-UHFFFAOYSA-N 451.935 5.244 50 10 JKGE CCCCc1ccc(-c2csc(C(C#N)=C(O)CCCOc3ccc(C(C)(C)C)cc3)n2)cc1 2331256034 PSERHTNZPCNCBU-UHFFFAOYSA-N 474.670 8.102 50 10 JKGE CC[C@@H](C)N1C(=O)c2ccc(C(O)=C(C#N)c3nc(-c4cc(C)ccc4C)cs3)cc2C1=O 2331319599 OCZDMFBEBNLOHL-MRXNPFEDSA-N 457.555 5.771 50 10 JKGE COc1ccc(-c2csc(C(C#N)=C(O)c3ccc4c(c3)C(=O)N(C(C)(C)C)C4=O)n2)c(OC)c1 2331385818 KYOYWULQJGGYQS-UHFFFAOYSA-N 489.553 5.172 50 10 JKGE COc1ccc(Cl)cc1-c1csc(C(C#N)=C(O)CCCN2C(=O)c3ccccc3C2=O)n1 2331410783 CVAIBMLVJXZWRC-UHFFFAOYSA-N 479.945 5.341 50 10 JKGE CCc1ccc(-c2csc(C(C#N)=Cc3ccc(OC(=O)c4ccccc4)c(OC)c3)n2)cc1 2331418225 IBXBZWAALHVFHX-UHFFFAOYSA-N 466.562 6.664 50 10 JKGE CCOc1cc(C=C(C#N)c2nc(-c3cccc4ccccc34)cs2)cc(Br)c1O 2331456462 PHUSFVZCASUHLC-UHFFFAOYSA-N 477.383 6.894 50 10 JKGE Cc1c(Br)sc([C@@H](Br)[C@@H]2C[C@H]2C2CCCCC2)c1Br 2332689154 TZKQDBPLFIARHY-LOWVWBTDSA-N 471.096 7.234 50 10 JKGE COc1cscc1[C@H](Br)c1c(Cl)cc(Br)c(F)c1Br 2337085338 XDHMPLXQRMKVBQ-JTQLQIEISA-N 493.417 6.559 50 10 JKGE CC[C@@H](Br)[C@H]1CCCCN1Cc1ccc(Cl)c(I)c1 2337230731 WNYIYHFERCTWND-IUODEOHRSA-N 456.593 5.473 50 10 JKGE Cc1c(Br)ccc([C@@H](Br)[C@H]2CO[C@]3(C)C[C@H]2C3)c1Br 2337698547 VKLTWZSDEFCVOH-YZENIEGJSA-N 453.012 5.771 50 10 JKGE Clc1cc(I)c([C@H](Br)[C@@H]2CCC[C@H]3CCCC[C@H]32)s1 2338776635 URKKPOAPGAZHPX-ZHSDAYTOSA-N 473.645 7.049 50 10 JKGE COc1c(Br)cc(C)c([C@H](Br)[C@]23C[C@H](C)[C@H]2C3)c1Br 2339676171 UWNFIJQRMJGGES-QTGCHDBNSA-N 453.012 6.011 50 10 JKGE FC1(F)C2(CCC2)[C@]1(CBr)Cc1ccc(Cl)cc1I 2341030605 RPXQEHKWRHETHM-CYBMUJFWSA-N 461.515 5.688 50 10 JKGE Cc1scc([C@@H](Br)c2c(Br)cc(F)c(F)c2F)c1Br 2343554277 NPMDICNWNKHYPE-SNVBAGLBSA-N 478.953 6.483 50 10 JKGE Cc1nn(Cc2ccc(I)c(Br)c2)c(C)c1[C@@H](C)Cl 2349810520 RQRTZXUQMRYZGQ-MRVPVSSYSA-N 453.549 5.215 50 10 JKGE Clc1c(Br)sc(Br)c1[C@@H](Cl)[C@@H]1C[C@H]1C1CCCCCC1 2357682589 VLGYMSUBGZNIQJ-UMNHJUIQSA-N 461.090 7.813 50 10 JKGE CC(C)(C)OC1CC(C[C@H](Br)c2ccc(OCc3ccccc3)cc2Br)C1 2361172007 CHPIWBDTGMMGPZ-XTXLOEGASA-N 496.283 7.448 50 10 JKGE C[C@]1([C@@H](Cl)c2c(Cl)cc(Br)c(F)c2Br)CCCC1(F)F 2362231422 FNYZCORZGOADPB-NWDGAFQWSA-N 454.939 7.110 50 10 JKGE Fc1c(Br)cc(Cl)c([C@H](Br)[C@H]2CCCC23CCC3)c1Br 2362235742 NGSUIQWQBYINLP-PRHODGIISA-N 489.448 7.411 50 10 JKGE COc1cccc([C@H](Br)c2c(Cl)cc(Br)c(F)c2Br)c1 2362258027 MXHFOVTYLXVENW-LBPRGKRZSA-N 487.388 6.497 50 10 JKGE CC[C@H](C)c1ccc([C@H](Br)c2ccc(Cl)cc2I)cc1 2365592041 KIBBVEPSZMTJMM-GTNSWQLSSA-N 463.584 6.942 50 10 JKGE C[C@H]1Cc2cc([C@H](Br)c3ccc(Cl)cc3I)ccc2O1 2365597489 HGWUHLNDMAFJDF-FVMDXXJSSA-N 463.540 5.752 50 10 JKGE Fc1ccc(OCc2c(Br)cccc2Br)c(CBr)c1Cl 2366217110 RBGXOSOEUUKEJG-UHFFFAOYSA-N 487.388 6.478 50 10 JKGE CCCCO[C@@H]1[C@@H](Cl)C[C@H]1OCc1ccc(I)c(Br)c1 2377617062 XOBPSKZFLGYCTD-NWANDNLSSA-N 473.576 5.135 50 10 JKGE C[C@@]1(NC(=O)c2csc(Br)c2Br)C[C@H]2CC[C@H]1C[C@@H]2Br 2380909768 LIKCGGBKONSCEH-VGMIOIIVSA-N 486.067 5.345 50 10 JKGE Cc1ccc(C[C@H]2S/C(=C(\C#N)C(=O)Nc3ccccc3C)N(c3ccccc3)C2=O)cc1 2284433 USIGMUACXOJNFX-VECHRTTRSA-N 453.567 5.368 50 10 JKGE COc1ccc(/C(C#N)=C\c2ccc(OC(=O)[C@@H](C)Oc3ccc(Cl)cc3Cl)cc2)cc1OC 31901098 XMKSKPJZLZTRQM-BKAYVGFPSA-N 498.362 6.448 50 10 JKGE Cc1cccc(COc2c(Cl)cc(/C=C(/C#N)C(=O)Nc3ccccc3C(=O)O)cc2Cl)c1 33749925 QAOGNJNCYJTHFW-ZDLGFXPLSA-N 481.335 6.125 50 10 JKGE CCc1ccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4cc([N+](=O)[O-])ccc4Cl)ccc32)cc1 38677675 FPFOEDCUYYKTCK-HSZRJFAPSA-N 475.888 5.248 50 10 JKGE N#CC1=C(N)Oc2cc(OC(=O)c3ccccc3)ccc2[C@H]1c1cccc(OCc2ccc(F)cc2)c1 38686825 RQJBBEKAWDZHOM-MUUNZHRXSA-N 492.506 5.842 50 10 JKGE Cc1c(C(=O)Nc2cc(Cl)cc(Cl)c2)oc2c1/C(=N/NC(=O)c1cccc(Cl)c1)CCC2 40813298 FZJNKQUSMJPDMM-MTDXEUNCSA-N 490.774 6.271 50 10 JKGE CCCCOc1ccc(/C=N/NC(=O)CCCOc2ccc(C)cc2Br)cc1OC 40951218 KBNFVXKNNMOGLD-PCLIKHOPSA-N 477.399 5.254 50 10 JKGE C=CCc1cc(/C=C(\C#N)C(=O)N2CCN(c3ccccc3)CC2)ccc1OCc1ccc(C)cc1 59333255 OYMTXWDYUIYGCU-SGWCAAJKSA-N 477.608 5.558 50 10 JKGE O=C(N/N=C/c1ccc(Sc2nnc(-c3ccccc3)n2-c2ccccc2)o1)c1ccccc1 59502654 SXIOZQMKKOWXEK-OVVQPSECSA-N 465.538 5.442 50 10 JKGE Cc1ccc(-c2ccccc2)n1-c1ccc(C(=O)N/N=C/c2ccc(I)o2)cc1 59679897 WHIVGSLXFDDMIR-MFKUBSTISA-N 495.320 5.414 50 10 JKGE Cc1cc(Br)ccc1[C@@H](Br)c1cc(F)c(Br)cc1F 70474498 MEAWUCOUXWVDFD-CQSZACIVSA-N 454.934 6.283 50 10 JKGE C[C@@H]1COc2ccc([C@H](Br)c3ccc(I)cc3)cc2OC1 70511380 FOKMDMRFFCLBCI-PIGZYNQJSA-N 459.121 5.183 50 10 JKGE C#CCOc1cc(Br)c(/C=C(/C#N)C(=O)Nc2cccc(Cl)c2C)cc1OCC 96476398 BMNJONKQCPYUDR-YBEGLDIGSA-N 473.754 5.367 50 10 JKGE N#C/C(=C/c1cccc2ccccc12)S(=O)(=O)c1cc(Br)ccc1Br 96792474 XSNAECZJRIXJEF-YBEGLDIGSA-N 477.177 5.703 50 10 JKGE CC1=C(C#N)C(=O)N(Cc2ccco2)C(=O)/C1=C/c1ccc(-c2ccc(Cl)c(Cl)c2)o1 101336761 UASXXRHCJCJWNM-LICLKQGHSA-N 453.281 5.639 50 10 JKGE Cc1cc(F)c([C@@H](Br)c2cc(Br)c(Br)s2)cc1F 128881429 RIRKNIDSJTWDAI-LLVKDONJSA-N 460.963 6.344 50 10 JKGE COc1cccc(/C=N\NC(=O)c2ccc3[nH]c4c(c3c2)CCCC4)c1OCc1ccccc1 169890041 ZYMHQZVPHVPCKC-RHANQZHGSA-N 453.542 5.398 50 10 JKGE C[C@@H](O[Si](C)(C)C)[C@@]1(O)CC[C@H]2[C@@H]3CC[C@H]4C[C@@H](O[Si](C)(C)C)CC[C@]4(C)[C@H]3CC[C@@]21C 195754569 PYOLIIABYCOZPT-AZVGBSISSA-N 480.882 7.220 50 10 JKGE N#C/C(=C/c1ccc(OCc2ccc(F)cc2)cc1)C(=O)Nc1sc2c(c1C#N)CCCC2 209663125 YCLJOZJKYIZLJO-UYRXBGFRSA-N 457.530 5.762 50 10 JKGE CCCCN1C(=O)C(C#N)=C(C)/C(=C/c2cn(-c3ccccc3)nc2-c2ccc3c(c2)C[C@@H](C)O3)C1=O 214225960 XUZDIASXCPZOJR-UFAQQFSPSA-N 492.579 5.255 50 10 JKGE COc1ccc([C@@H](Cl)c2cc(Br)ccc2I)c(C)c1 234975184 YXAAZDFSPZACQY-OAHLLOKOSA-N 451.529 5.699 50 10 JKGE COc1ccc([C@@H](Cl)c2cc(I)ccc2Br)cc1OC 234980018 BMCUAMBKWGXXGI-OAHLLOKOSA-N 467.528 5.399 50 10 JKGE Clc1ccc([C@@H](Br)Cc2cccc(Br)c2)cc1Br 236061135 KYIGHNUZFDWGHR-LBPRGKRZSA-N 453.399 6.544 50 10 JKGE O=C(NN=Cc1cc(OCc2ccc(F)cc2)ccc1Br)c1ccc2ccccc2n1 252591051 AXJIZJYMVCMLEF-UHFFFAOYSA-N 478.321 5.479 50 10 JKGE CC[C@H](C)c1ccc(-c2cc(C(=O)NN=Cc3cc4c(cc3Cl)OCO4)c3ccccc3n2)cc1 252599431 DIWKQURDNYCEOW-KRWDZBQOSA-N 485.971 6.561 50 10 JKGE O=C(NN=Cc1ccccc1OCc1ccc([N+](=O)[O-])cc1)c1cc2c(ccc3ccccc32)o1 252608802 HNFZPRYHSWBJLP-UHFFFAOYSA-N 465.465 5.837 50 10 JKGE O=C(COc1ccc(-c2ccccc2)cc1)NN=Cc1cccc(OC(=O)c2cccs2)c1 254492779 KESACKIHNUDWRW-UHFFFAOYSA-N 456.523 5.163 50 10 JKGE O=C(Nc1cc(I)ccc1Br)c1ccc(CBr)cc1 305994856 OPINTYVGVAGEIO-UHFFFAOYSA-N 494.952 5.201 50 10 JKGE Clc1ccc([C@@H]2CN(Cc3ccccc3)C[C@@H]2CI)cc1Br 382680821 CGBLXCSLXPJCHS-HOTGVXAUSA-N 490.610 5.753 50 10 JKGE C[C@@H](Cl)c1nc2cc(I)c(F)cc2n1-c1cnn(Cc2ccccc2)c1 389698127 FUEVBVSTMWKFJW-GFCCVEGCSA-N 480.712 5.314 50 10 JKGE Cc1cccc(Br)c1[C@H](Br)c1c(Br)cc(F)c(F)c1F 398651845 BRNZQYXYCFZUNX-LBPRGKRZSA-N 472.924 6.422 50 10 JKGE Fc1ccc([C@@H](Br)c2c(Br)cc(F)c(F)c2F)c(Br)c1 398715885 GNFWTOYOBLUBDY-LLVKDONJSA-N 476.887 6.252 50 10 JKGE CC(C)(C)[Si](C)(C)OCCc1cccc([C@H]2CNCCN2CCO[Si](C)(C)C(C)(C)C)c1 616635525 BOLJWHBXUABZCD-XMMPIXPASA-N 478.870 6.219 50 10 JKGE COCc1csc([C@@H](Br)c2scc(C(F)(F)F)c2Br)c1 690013910 IWMWLVWDABFKHW-SNVBAGLBSA-N 450.139 6.222 50 10 JKGE Fc1ccc(Br)cc1CC(CBr)(CBr)C1CCCCC1 696836048 GEJSFHHLNDSESQ-UHFFFAOYSA-N 471.046 6.487 50 10 JKGE COc1cc(NC(=O)/C(C#N)=C\c2ccc(-c3ccc(Br)cc3C)o2)ccc1Cl 1084064720 IZXXPDKJYQAZDS-UVTDQMKNSA-N 471.738 6.225 50 10 JKGE N#C/C(=C/c1ccc(OCc2ccc(Cl)cc2)cc1)C(=O)Nc1cccc(C(F)(F)F)c1 1084234025 PNISXDFGHRLYHK-PDGQHHTCSA-N 456.851 6.483 50 10 JKGE O=C(NN=Cc1cccn1-c1ccc(Cl)cc1)Nc1ccc(C23CC4CC(CC(C4)C2)C3)cc1 1084435426 RDXRSWNGNAHYMO-UHFFFAOYSA-N 473.020 6.754 50 10 JKGE C[C@]12CC[C@@H]3[C@H](CC=C4C[C@H](OC(=O)/C=C\c5ccccc5)CC[C@@]43C)[C@H]1CCC2=NNC(N)=O 1084483335 NMEUWUBEWUDIDC-KJCNMMPDSA-N 475.633 5.599 50 10 JKGE Cc1ccc(COc2ccc(Cl)cc2/C=C(/C#N)C(=O)Nc2ccc(Cl)c(Cl)c2)cc1 1084501908 KCFKIINRXHXCSK-ZDLGFXPLSA-N 471.771 7.080 50 10 JKGE Cc1cc(C=NNC(=O)[C@H](C)Sc2ccc(Cl)cc2)c(C)n1-c1cccc(Br)c1 1084507713 SXHDFLNTMYHDQH-INIZCTEOSA-N 490.854 6.141 50 10 JKGE Cc1c(C(=O)N2CCc3ccccc3C2)oc2c1C(=NNC(=O)c1ccc(Cl)cc1Cl)CCC2 1772746861 AUEKLFZOSYJGRY-UHFFFAOYSA-N 496.394 5.564 50 10 JKGE O=C(CSc1nc2ccccc2s1)NN=Cc1ccccc1OCc1ccccc1F 1772760464 OPMPVMCPVKBHPO-UHFFFAOYSA-N 451.548 5.257 50 10 JKGE CCOc1cc(OCC)cc(C(=O)NNC(=O)c2ccc(-c3ccc4ccccc4c3)s2)c1 1860391745 SALBSXDIZKRQTF-UHFFFAOYSA-N 460.555 5.441 50 10 JKGE N#CC1=C(N)Oc2c(c(-c3ccccc3)nn2-c2cccc3ccccc23)[C@@H]1c1ccc(O)cc1O 1865681408 MRLDXFRDMSSVKV-RUZDIDTESA-N 472.504 5.322 50 10 JKGE COc1ccc(-c2nn(Cc3ccccc3F)c3c2[C@H](c2ccc(N(C)C)cc2)C(C#N)=C(N)O3)cc1 1865683060 FCFYEOAUCCAFFJ-RUZDIDTESA-N 495.558 5.030 50 10 JKGE CCCCOc1ccc([C@@H]2C(C#N)=C(N)Oc3c2c(-c2ccccc2)nn3-c2cccc(Cl)c2)cc1 1865690534 UEWMXKROFIFEQZ-RUZDIDTESA-N 496.998 6.590 50 10 JKGE CCCc1nc(Nc2ccc(SC#N)cc2)cc(N2CCO[C@H](c3ccc(CC)cc3)C2)n1 1868389211 RXZPZGYGBWEQJA-QHCPKHFHSA-N 459.619 5.886 50 10 JKGE COc1ccc(-c2c(C(F)(F)F)oc3cc(OCc4ccc(CCl)cc4)ccc3c2=O)cc1 1871437762 BBYINFLGIUXVSX-UHFFFAOYSA-N 474.862 6.805 50 10 JKGE CCCCc1ccc(-c2csc(/C(C#N)=C(\O)[C@@H](C)Oc3ccc(Cl)cc3Cl)n2)cc1 1872745005 SQXVROAZMRUYEQ-GUYLDNPGSA-N 473.425 7.720 50 10 JKGE CC[C@@H](C)[C@H](/C(O)=C(\C#N)c1nc(-c2ccccc2OC)cs1)N1C(=O)c2ccccc2C1=O 1872746838 ARMXHAQSXOGWEQ-UQDNYXPXSA-N 473.554 5.322 50 10 JKGE CCOc1ccc(-c2csc(/C(C#N)=C(\O)c3ccc4c(c3)C(=O)N(Cc3ccco3)C4=O)n2)cc1 1872747622 MDZQLTVSNKQLID-GYHWCHFESA-N 497.532 5.548 50 10 JKGE CCOc1ccc(C/C(O)=C(\C#N)c2nc(-c3ccc(Oc4ccccc4)cc3)cs2)cc1 1872753567 CWWIXIHGYXVVGP-LCUIJRPUSA-N 454.551 7.036 50 10 JKGE CCCCc1ccc(-c2csc(/C(C#N)=C/c3ccc(N(CC)Cc4ccccc4)cc3)n2)cc1 1872780611 GKWYBTRTWFTFNQ-VFCFBJKWSA-N 477.677 8.243 50 10 JKGE COc1ccc(-c2csc(/C(C#N)=C/c3ccc(OC(=O)c4ccccc4)c(OC)c3)n2)cc1F 1872792313 RKHIBSHAAMRWLJ-UDWIEESQSA-N 486.524 6.250 50 10 JKGE CCCCCOc1ccc(/C=C(\C#N)c2nc(-c3cc(Cl)c(OC)c(Cl)c3)cs2)cc1 1872794840 ZFTWEFLEQPCYQZ-WOJGMQOQSA-N 473.425 7.759 50 10 JKGE COc1cc(C)c([C@H](Cl)c2cccc(I)c2)cc1Br 1901585747 GTCWPCXOJQXTMP-OAHLLOKOSA-N 451.529 5.699 50 10 JKGE Cc1c(Br)sc([C@H](Br)C[C@@H]2CCCC2(F)F)c1Br 1922920902 LNLQRCXNSKKKNI-JGVFFNPUSA-N 467.011 6.843 50 10 JKGE FC1(F)CCOC[C@H]1[C@@H](Br)c1sc(Br)cc1Br 2001817769 AWPKXNCDYITSQO-YLWLKBPMSA-N 454.956 5.381 50 10 JKGE BrC[C@@H](OCCOCCOCc1ccccc1)c1cccc(Br)c1 2007814309 NLKLZLXJCQAQQI-LJQANCHMSA-N 458.190 5.135 50 10 JKGE C[C@@H](Br)CC(C)(C)CNC(=O)c1csc(Br)c1Br 2032958439 DIOXJDNTWGPNDL-SSDOTTSWSA-N 462.045 5.203 50 10 JKGE COCc1cc(Br)c([C@@H](Br)c2cc(Br)sc2C)s1 2034554972 HCZBIUURVCKGOW-NSHDSACASA-N 475.065 6.274 50 10 JKGE CC1(C)CCC[C@H]([C@H](Br)c2cc(Br)c(Br)s2)CC1 2039363168 NQSKZKLYYJDORJ-CABZTGNLSA-N 459.085 7.316 50 10 JKGE C=C1CC[C@H](O[Si](C)(C)C(C)(C)C)CC1=CCP(=O)(c1ccccc1)c1ccccc1 2053539394 OFSDSMTXHBTJEI-DEOSSOPVSA-N 452.651 7.057 50 10 JKGE Fc1cc(Cl)c(Br)cc1[C@@H](Cl)c1c(Br)cccc1Br 2097828373 RCMBMTGFMFFDHW-CYBMUJFWSA-N 491.807 7.095 50 10 JKGE C[C@H](Cn1c(CCCl)nc2cc(Br)c(Cl)cc21)N(C)Cc1ccccc1 2103621759 DGLLVIQTRPKIHK-CQSZACIVSA-N 455.227 5.754 50 10 JKGE BrCc1cc(Br)cc(Br)c1OCC[C@@]12CCC[C@H]1C2 2125595012 FRRMRHABIJFDAY-XHDPSFHLSA-N 453.012 6.066 50 10 JKGE C[C@H](c1cscc1Br)N(C)c1cccc(Br)c1CBr 2130024361 KHIFFPRLARSYDW-SECBINFHSA-N 468.052 6.365 50 10 JKGE Cc1cc(Br)c(C)c([C@H](Br)C(C2CC2)C2CC2)c1Br 2136379652 MSMGNTHDJGGHKA-INIZCTEOSA-N 451.040 6.701 50 10 JKGE COc1cc(F)c([C@H](Cl)c2cc(Br)c(Br)s2)cc1Br 2138146911 UDDGXRSJVYTUPG-NSHDSACASA-N 493.417 6.512 50 10 JKGE Clc1cc(CN2CC3(CCC3)C[C@@H]2CBr)ccc1I 2142949260 HVSQBKWRJCQLQR-GFCCVEGCSA-N 454.577 5.084 50 10 JKGE COc1cc(Br)c(C)cc1[C@@H](Cl)c1cc(Br)ccc1Br 2145958220 UBRKEPBCWVMOEC-HNNXBMFYSA-N 483.425 6.619 50 10 JKGE Cc1cc(NC(=O)OC(C)(C)C)cc(NS(=O)(=O)c2ccc(CBr)cc2)c1 2162590369 APERGDDBTOTJCF-UHFFFAOYSA-N 455.374 5.038 50 10 JKGE BrCc1ccc2c(c1)CN(Cc1ccc(Br)cc1Br)C2 2167514046 VJJPJSILBFQTGH-UHFFFAOYSA-N 460.007 5.622 50 10 JKGE Fc1ccc(I)cc1[C@@H](Cl)c1cc(Br)cc2c1OCC2 2169667699 IICZUFHGGBODOT-CQSZACIVSA-N 467.503 5.456 50 10 JKGE O=C(c1cccc(Br)c1Br)N1CC[C@H](Br)CC12CCC2 2169894194 GVIZIBPBIURAOT-JTQLQIEISA-N 466.011 5.134 50 10 JKGE FC(F)CC1(CBr)CCN(c2ncc(Br)cc2Br)CC1 2188334154 IDTOKWDPLZDBDI-UHFFFAOYSA-N 476.985 5.243 50 10 JKGE CC1(C)C[C@](C)(CBr)CN1C(=O)c1cccc(Br)c1Br 2199551275 JVXBMYPGUJDUTH-OAHLLOKOSA-N 468.027 5.237 50 10 JKGE Cc1ccc(C[C@@H](Br)c2c(C)c(Br)cc(C)c2Br)cc1 2201073616 NGHGJQKSFDKNBW-OAHLLOKOSA-N 461.035 6.816 50 10 JKGE COc1cc(F)c([C@H](Br)c2cccc(Br)c2F)cc1Br 2202903306 CHLDYFDJWXGWKA-CYBMUJFWSA-N 470.933 5.983 50 10 JKGE COc1c(Br)cc(C)cc1[C@@H](Br)c1cccc(F)c1Br 2203830946 YVDUMXSOVPFCKD-ZDUSSCGKSA-N 466.970 6.152 50 10 JKGE Cn1nc([C@@H](Br)c2ccc(-c3cccs3)s2)c(Br)c1Cl 2205864561 ZFWYFIUHPGWRAS-JTQLQIEISA-N 452.624 6.110 50 10 JKGE Brc1csc([C@H](Br)c2ccc(-c3ccccc3)s2)c1Br 2206139434 YVBOMGOGYLKRQO-CQSZACIVSA-N 493.083 7.486 50 10 JKGE Cc1csc([C@@H](Br)c2c(Br)cc(Cl)c(Cl)c2Cl)c1Cl 2224302500 MHQTZPUWDRNNHY-QMMMGPOBSA-N 483.867 7.917 50 10 JKGE CCc1nn(C)c([C@@H](Br)c2c(C)sc(Br)c2C)c1Br 2225869600 YWARAHZVCMKHSH-NSHDSACASA-N 471.056 5.670 50 10 JKGE Cc1cc(Br)c([C@@H](Br)[C@@H]2[C@H]3CCCC[C@H]32)c(C)c1Br 2227351346 LNODGVCFZVHAHI-PSHZPRKYSA-N 451.040 6.701 50 10 JKGE Cc1cc(Br)c([C@@H](Br)CC2CCOCC2)c(C)c1Br 2227351537 MZYUIZZMGNBZBO-ZDUSSCGKSA-N 455.028 6.081 50 10 JKGE Fc1cc(F)c([C@@H](Cl)c2cc(Br)c(Cl)s2)c(F)c1Br 2227803456 LRFDEGXSOFBSBU-VIFPVBQESA-N 454.920 6.672 50 10 JKGE Clc1cc(Br)c([C@H](Br)C[C@@H]2CCC[C@H]3C[C@@H]23)c(Cl)c1Cl 2232512642 OFJCRQKUVKYVMQ-AXTSPUMRSA-N 461.452 7.672 50 10 JKGE COc1cc(F)c(Cl)cc1[C@H](Br)c1cc(C)ccc1I 2241000334 HDBCQGBLLZKRRC-OAHLLOKOSA-N 469.519 5.885 50 10 JKGE Cc1cc(Br)c(C)c([C@H](Cl)c2cc(Br)co2)c1Br 2258145890 GEVKKMZVVZVLDL-CYBMUJFWSA-N 457.387 6.512 50 10 JKGE CC(C)(C)OC(=O)N1CCC(CI)(OC[C@@H]2CC(F)(F)C23CCC3)CC1 2266113710 RBDFRYURPYYUSG-AWEZNQCLSA-N 485.353 5.033 50 10 JKGE N#Cc1nc(COc2c(Br)cc(Br)cc2CBr)cs1 2271174964 LCWACTHDCUDSHB-UHFFFAOYSA-N 466.980 5.014 50 10 JKGE Fc1cc(Br)c(F)c(Br)c1[C@H](Br)[C@H]1CCCOCC1 2272727189 DQRXDPDONVTUIU-WRWORJQWSA-N 462.954 5.743 50 10 JKGE N#CC1=C(N)OC2=C(CCCC2=Cc2cccc(Cl)c2Cl)[C@@H]1c1cccc(Cl)c1Cl 2294839481 MQUVHUDLROVACQ-IBGZPJMESA-N 478.206 7.629 50 10 JKGE Brc1cc(Br)cc(C[C@@H](Br)c2ccccc2C2CC2)c1 2295332561 YJTOLZNGXZOKAO-QGZVFWFLSA-N 459.019 6.768 50 10 JKGE COc1c(Br)cc(Cl)c(C)c1[C@@H](Cl)c1scc(Br)c1C 2295356989 HPCVSQIZKFUZSB-GFCCVEGCSA-N 459.030 6.880 50 10 JKGE Cc1c(Cl)cccc1NC(=O)C(C#N)=Cc1ccc(OCc2cccc(C(F)(F)F)c2)cc1 2295672399 UTOFUIUMCVXXFM-UHFFFAOYSA-N 470.878 6.792 50 10 JKGE CCCOc1ccccc1C=C(C#N)C(=O)Nc1scc(-c2ccc(OC)cc2)c1C(=O)OCC 2296500291 APLROMMNYXLSAO-UHFFFAOYSA-N 490.581 5.935 50 10 JKGE N#CC(C(=O)Nc1cccc(Cl)c1)=C1S[C@H](Cc2ccc(F)cc2)C(=O)N1c1ccccc1 2296506693 ADQZLMNLUYGBHE-JOCHJYFZSA-N 477.948 5.544 50 10 JKGE Cc1ccc(S(=O)(=O)C(C#N)=Cc2c(Oc3ccc(C(C)(C)C)cc3)nc3ccccn3c2=O)cc1 2296732201 HXCDWXICKWXVFM-UHFFFAOYSA-N 499.592 5.431 50 10 JKGE Cc1ccc(-c2csc(C(C#N)=CNc3ccc(S(=O)(=O)Nc4nccs4)cc3)n2)cc1 2297461528 AJZFINKTLVBWKB-UHFFFAOYSA-N 479.612 5.352 50 10 JKGE CC1(C)CC(C[C@@H](Br)c2cc(Br)ccc2OCc2ccccc2)C1 2299530464 MFKXQGZCYFBPDT-LJQANCHMSA-N 452.230 7.290 50 10 JKGE C[C@H]1CC[C@H]([C@@H](Br)c2cc(Br)ccc2OCc2ccccc2)CC1 2299534246 BLZWQJDRHWRJLR-QLVMHMETSA-N 452.230 7.290 50 10 JKGE Cc1cc(Br)cc([C@@H](Cl)c2sc(Cl)cc2I)c1 2301084630 VZSNTXZPUIJYEY-LLVKDONJSA-N 461.977 6.405 50 10 JKGE Brc1cc([C@H](Br)[C@H]2OC[C@@H]3CCCC[C@H]23)c(Br)s1 2312259755 HGKLNKLRTMPKCF-OSTYVCCYSA-N 459.041 5.914 50 10 JKGE CCOc1cc(C=C(C#N)C(=O)Nc2cccc([N+](=O)[O-])c2)ccc1OCc1ccccc1Cl 2313670600 JNFQFPPTXIESTP-UHFFFAOYSA-N 477.904 5.772 50 10 JKGE COC[C@@H]1CC[C@H]([C@H](Br)c2ccc(OCc3ccccc3)cc2Br)C1 2314444534 LQDYTTKJKORYAM-WWMYMODYSA-N 468.229 6.527 50 10 JKGE COc1ccccc1[C@@H](Br)c1cc(Br)ccc1OCc1ccccc1 2314450008 VJCUPLWHCIMMJD-OAQYLSRUSA-N 462.181 6.521 50 10 JKGE Brc1ccc(OCc2ccccc2)c([C@H](Br)[C@]23CCCC[C@@H]2CC3)c1 2314455809 RROHPUZAQKEVDI-WTNAPCKOSA-N 464.241 7.435 50 10 JKGE COc1ccc(N2C(=O)[C@H](Cc3ccc(C)cc3)SC2=C(C#N)C(=O)Nc2ccccc2C)cc1 2314592129 MIAGDRLNEIMWTI-VWLOTQADSA-N 483.593 5.377 50 10 JKGE CCCCCCN1C(=O)C(=Cc2ccc(-c3cc(Cl)ccc3Cl)o2)C(C)=C(C#N)C1=O 2314610901 OBKXMDIXXJKGGA-UHFFFAOYSA-N 457.357 6.426 50 10 JKGE COc1ccc(CN2C(=O)C(=Cc3ccc(OCc4ccc(C)cc4)cc3)C(C)=C(C#N)C2=O)cc1 2314617186 SHBMLWNNUSWAFI-UHFFFAOYSA-N 478.548 5.375 50 10 JKGE CCOc1cc(C=C2C(=O)N(Cc3ccco3)C(=O)C(C#N)=C2C)ccc1OCc1ccccc1F 2314618176 IOFJKJVXYBJNMY-UHFFFAOYSA-N 486.499 5.189 50 10 JKGE C=CCOc1cccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)C=Cc4ccccc4)ccc32)c1 2314634774 JZIGIUPIPGUONM-MHZLTWQESA-N 450.494 5.088 50 10 JKGE COc1cc(C=C(C#N)c2nc3ccccc3n2C)cc([N+](=O)[O-])c1OCc1ccc(C)cc1 2323839204 SCHJQLHHLGSXDK-UHFFFAOYSA-N 454.486 5.442 50 10 JKGE N#CC(=CN1CCN(c2cccc(Cl)c2)CC1)C(=O)NC1CCCCCCCCCCC1 2325481496 BXOSTWWNFUTHPH-UHFFFAOYSA-N 457.062 5.659 50 10 JKGE CCOC(=O)c1c(-c2ccc([N+](=O)[O-])cc2)csc1NC(=O)C(C#N)=Cc1ccc(F)cc1 2329641062 IGECJUFKFJOAME-UHFFFAOYSA-N 465.462 5.185 50 10 JKGE CN(C)c1ccc(C(O)=C(C#N)c2nc(-c3cccc(Br)c3)cs2)cc1[N+](=O)[O-] 2331279207 VXJJPXOKSFFXBR-UHFFFAOYSA-N 471.336 5.497 50 10 JKGE CC[C@@H](C)N1C(=O)c2ccc(C(O)=C(C#N)c3nc(-c4cc(C)ccc4OC)cs3)cc2C1=O 2331322980 PSPJIKPVGYXZHG-OAHLLOKOSA-N 473.554 5.472 50 10 JKGE N#CC(=C(O)C(=Cc1ccccc1)c1ccccc1)c1nc(-c2ccc3c(c2)OCCO3)cs1 2331330908 MPEVJINFPPMERT-UHFFFAOYSA-N 464.546 6.615 50 10 JKGE CC(C)(C)c1ccc(-c2csc(C(C#N)=C(O)CNC(=O)c3ccc(Cl)cc3)n2)cc1 2331331521 JPQNPJYAHKQFOT-UHFFFAOYSA-N 451.979 5.984 50 10 JKGE CCCCCCCOc1ccc(-c2csc(C(C#N)=C(O)c3ccc(OCC)cc3)n2)cc1 2331344647 CEHRBXYIRUXOPF-UHFFFAOYSA-N 462.615 7.508 50 10 JKGE CCCCCCCOc1ccc(-c2csc(C(C#N)=C(O)Cc3ccc(C)c(C)c3)n2)cc1 2331344771 LGYLDJBRMVEHHV-UHFFFAOYSA-N 460.643 7.812 50 10 JKGE COc1ccc(-c2csc(C(C#N)=C(O)c3ccccc3Br)n2)c(OC)c1OC 2331412505 DUIZWTXTNUBMBM-UHFFFAOYSA-N 473.348 5.548 50 10 JKGE CCOc1c(Br)cc(C=C(C#N)c2nc(-c3ccc4c(c3)CCCC4)cs2)cc1OC 2331417211 YQOCSNRDHKXWFP-UHFFFAOYSA-N 495.442 6.923 50 10 JKGE COc1ccccc1-c1csc(C(C#N)=Cc2ccc(OCc3ccc(Cl)cc3)cc2)n1 2331434691 NJBWWDNOLCWFOE-UHFFFAOYSA-N 458.970 7.115 50 10 JKGE Cc1cc(Br)c([C@H](Br)[C@H]2OC[C@@H]3CCC[C@H]23)cc1Br 2333513825 CZVOZFLEESIISK-CHPZLBCBSA-N 453.012 5.771 50 10 JKGE Fc1c(Br)cc(Cl)c([C@H](Br)[C@@H]2CCC[C@@H]3C[C@H]32)c1Br 2337082529 MXQCHWLWONHYDL-BMYQGPEFSA-N 475.421 6.876 50 10 JKGE CC1(C)C[C@@H](Br)CCN(Cc2ccc(Cl)c(I)c2)C1 2337222660 BZZGMBOBFGVCJB-LBPRGKRZSA-N 456.593 5.330 50 10 JKGE CCC(CC)CCC(CBr)(CBr)c1cccc(Br)c1 2338167073 SKWALVYRQFNXGN-UHFFFAOYSA-N 455.072 6.693 50 10 JKGE Fc1cc(Cl)c(Br)c(Cl)c1[C@@H](Br)C[C@H]1CCCC1(F)F 2360402984 VZKCFOXCOUSYSI-RQJHMYQMSA-N 454.939 7.157 50 10 JKGE Fc1c(Br)cc(Cl)c([C@H](Br)[C@H]2CC[C@@H]3[C@H]2C3(F)F)c1Br 2362227582 HBSQKRBQVKJQOW-FBFBHZLOSA-N 497.374 6.731 50 10 JKGE FC(F)(F)[C@@]1(CBr)CCN(Cc2ccc(Cl)c(I)c2)C1 2362379025 KTTDJWWGRLVQEU-GFCCVEGCSA-N 482.509 5.094 50 10 JKGE CC(C)(C)OC(=O)N1CCC(CI)(OCc2cc(F)ccc2C(F)F)CC1 2363555654 KTRHOMPNAGNUKG-UHFFFAOYSA-N 499.311 5.485 50 10 JKGE Fc1ccc(C(F)(F)F)cc1[C@@H](Br)c1sc(Cl)cc1I 2363891095 FZWOLMDJXIKHGL-SNVBAGLBSA-N 499.492 6.648 50 10 JKGE Cc1cc(Br)c(F)c(Br)c1[C@H](Br)C1(CC(F)(F)F)CC1 2365224994 DVBKGCOYXMTUTQ-NSHDSACASA-N 482.935 6.828 50 10 JKGE Clc1ccc(COCC2(CBr)CCCCCC2)c(I)c1 2365632671 DAGWSTHYBIDJGM-UHFFFAOYSA-N 471.604 6.197 50 10 JKGE COCc1ccc(CO[C@@H](CI)c2cccc(Br)c2)s1 2368075032 MEPAYXGCPPJRKJ-HNNXBMFYSA-N 467.166 5.350 50 10 JKGE C[C@H]1C[C@H]2C[C@]([C@H](Br)c3c(Cl)cc(Br)c(F)c3Br)(C2)O1 2368521700 URSNDVDLSQXJRE-CCBCZWRWSA-N 491.420 6.398 50 10 JKGE Cc1cc(Br)c(F)c(Br)c1[C@H](Br)[C@]12C[C@H](C[C@H](C)O1)C2 2368526325 SMYWSPWHEGSBPO-WDQYXFPCSA-N 471.002 6.053 50 10 JKGE O=C(N[C@H](CCBr)COCc1ccccc1)c1c(Cl)cccc1C(F)(F)F 2369430385 CDXGRXNWDCGBLR-CQSZACIVSA-N 464.709 5.459 50 10 JKGE CC1(C)CC(CBr)(CN2CCC[C@@H](N(CC(F)F)C(=O)OC(C)(C)C)C2)C1 2371134687 WZIKSXFYQAOAJG-OAHLLOKOSA-N 453.412 5.154 50 10 JKGE CC(C)(C)[C@]1(CBr)CCN(Cc2cc(I)ccc2Cl)C1 2380509461 QOMFPPQVBYZYTF-INIZCTEOSA-N 470.620 5.578 50 10 JKGE COc1ccc(C(=O)NN=C(C)c2cccc(NC(=O)c3ccc(Cl)cc3Cl)c2)cc1 1200355 LFYKTYPFRPZSPI-UHFFFAOYSA-N 456.329 5.408 50 10 JKGE O=C(CCCOc1ccc(Cl)cc1Cl)NNC(=O)c1ccccc1OCc1ccccc1 14030777 ULFWYCRCYGSHLP-UHFFFAOYSA-N 473.356 5.193 50 10 JKGE CC1CCN(C(=O)[C@@]23CC[C@@](C)(/C(=N\NC(=O)c4ccccc4Br)C2)C3(C)C)CC1 26570305 WHPFCJXIYUOZMC-YKAJUHLZSA-N 474.443 5.010 50 10 JKGE C[C@H](Oc1ccc(Cl)cc1Cl)C(=O)Oc1ccc(/C=C(/C#N)c2cccc(Cl)c2)cc1 31901542 BJTMKSUXEIQBQH-GZQZNAIASA-N 472.755 7.084 50 10 JKGE COc1ccc2cc(/C=C(/C#N)c3nc(-c4cc5ccccc5oc4=O)cs3)c(Cl)nc2c1 33391258 ILPXLFJNKPPDOZ-MFOYZWKCSA-N 471.925 6.191 50 10 JKGE N#C/C(=C\c1cccc(Br)c1)c1ccc(/C(C#N)=C\c2cccc(Br)c2)cc1 33392608 QULPOSHBAMADGA-ZCJKAFFOSA-N 490.198 7.340 50 10 JKGE CCOc1ccc(-c2nn(-c3ccccc3)cc2/C=C2/C(=O)N(C(C)C)C(=O)C(C#N)=C2C)c(C)c1 38604313 YVEKNEFAORWLFT-MFKUBSTISA-N 480.568 5.247 50 10 JKGE CCCOc1ccccc1C(=O)Oc1ccc2c(c1)OC(N)=C(C#N)[C@@H]2c1ccc(C(C)C)cc1 38649658 NUZWNSOVGDNGGV-HHHXNRCGSA-N 468.553 6.036 50 10 JKGE CC(C)(C)c1ccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4ccccc4[N+](=O)[O-])ccc32)cc1 38649758 ZBRFQKVBTUGBJE-DEOSSOPVSA-N 469.497 5.330 50 10 JKGE CC(C)c1ccc(O[C@@H](C)C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@@H]3c2ccccc2Cl)cc1 38651089 QCPFJPMTEVKLSV-MRDQGFSESA-N 488.971 6.054 50 10 JKGE C[C@H](Oc1ccc(F)cc1)C(=O)Oc1ccc2c(c1)OC(N)=C(C#N)[C@H]2c1cccc2ccccc12 38657834 QXIDLZGACHSWCX-SOKVYYICSA-N 480.495 5.570 50 10 JKGE CCCOc1ccccc1C(=O)Oc1ccc2c(c1)OC(N)=C(C#N)[C@@H]2c1c(F)cccc1Cl 38680681 BBLAJHUXTCYHET-HSZRJFAPSA-N 478.907 5.705 50 10 JKGE Cc1cc(C)c2c(C)c(C(=O)Oc3ccc4c(c3)OC(N)=C(C#N)[C@@H]4c3cccs3)oc2c1 38688426 IZGRASPRZZNFKV-HSZRJFAPSA-N 456.523 5.857 50 10 JKGE Cc1ccccc1Oc1nc2c(C)cccn2c(=O)c1/C=C(/C#N)C(=O)Nc1cccc(Cl)c1 39858895 SEAMZGMTLQCPSR-AQTBWJFISA-N 470.916 5.303 50 10 JKGE COc1cc(/C=C2/C(=O)N(Cc3ccc(F)cc3)C(=O)C(C#N)=C2C)ccc1OCc1ccc(C)cc1 40514740 MQZMGDBYUQSAGX-AFUMVMLFSA-N 496.538 5.514 50 10 JKGE CCOc1ccc(/C=N/NC(=O)COc2ccc(C(C)(C)C)cc2Br)cc1OCC 40950843 VPVIGAGVWSUJMU-AFUMVMLFSA-N 477.399 5.073 50 10 JKGE CCCCCOc1ccc(/C=C/C(=O)Oc2ccc(/C=C(\C#N)C(=O)NCCCC)cc2)cc1OC 40970135 ZHZOLSNULHBCPX-JNVHMIODSA-N 490.600 5.706 50 10 JKGE COc1ccc(CNC(=O)/C(C#N)=C/c2cn(Cc3ccc(Cl)cc3Cl)c3ccccc23)cc1 59297258 NEOLPBFSUCNVKU-UDWIEESQSA-N 490.390 6.228 50 10 JKGE COC(=O)Cn1cc(/C=N/NC(=O)c2ccc(-n3c(C)ccc3-c3ccccc3)cc2)c2ccccc21 59680453 SIRGNVPNBARWTF-FDAWAROLSA-N 490.563 5.344 50 10 JKGE N#C/C(=C/c1cc(Br)c(O)c(Br)c1)C(=O)Nc1cccc(C(F)(F)F)c1 89779580 IXZCLYJWALRSNO-WMZJFQQLSA-N 490.073 5.482 50 10 JKGE CCOc1ccc(NC(=O)/C(C#N)=C\c2cn(CCOc3ccc(Cl)c(C)c3)c3ccccc23)cc1 96577212 DRGYPBIYGDYZEV-FXBPSFAMSA-N 499.998 6.627 50 10 JKGE CC[C@]1(C)[C@@H](Br)C[C@H]1Oc1c(I)cc(Cl)c2cccnc12 97646930 YWCMURWPHGBESL-WOSRLPQWSA-N 480.571 5.824 50 10 JKGE COc1cc(/C=C2/C(=O)N([C@@H](C)c3ccccc3)C(=O)C(C#N)=C2C)ccc1OCCC(C)C 101337846 YCVBMKMJDMKLQR-VRMLFSPKSA-N 458.558 5.474 50 10 JKGE CCOC(=O)c1c(N/C=C(\C#N)c2nc(-c3ccc(F)cc3)cs2)sc(C(=O)OC)c1C 102924456 OVMQTDQZXKEFHK-GXDHUFHOSA-N 471.535 5.259 50 10 JKGE N[C@@H](Cc1c[nH]c2cc(Cl)ccc12)C(=O)OC(=O)OCC1c2ccccc2-c2ccccc21 104829004 UMXKPLPNMIBYCE-QHCPKHFHSA-N 460.917 5.183 50 10 JKGE Clc1ccc([C@H](Br)c2cc(Br)sc2Br)c(Cl)c1 109869704 YKNIKYJRNVIQOW-JTQLQIEISA-N 479.846 7.064 50 10 JKGE Clc1cccc(C(CBr)(CBr)Cc2ccccc2Br)c1 118878207 AEUOSXMDZMZXSX-UHFFFAOYSA-N 481.453 6.373 50 10 JKGE CCOc1ccc([C@H](Cl)c2csc(I)c2)c(Br)c1 126675889 GHRLZQPAPXLRIE-CYBMUJFWSA-N 457.558 5.842 50 10 JKGE Cc1cc(Br)c([C@@H](Br)[C@@H]2Cc3ccccc3O2)cc1Br 128766840 KEIIYOLGZXUYCE-JKSUJKDBSA-N 460.991 5.960 50 10 JKGE Cc1cc(Br)c([C@@H](Br)[C@H]2COc3ccccc32)cc1Br 128787649 VINBBZHZICPWKJ-BLLLJJGKSA-N 460.991 6.132 50 10 JKGE Clc1cc([C@@H](Cl)c2cc(Br)sc2Br)ccc1Br 148952538 JICZEBRMGJGWJP-SNVBAGLBSA-N 479.846 7.017 50 10 JKGE CCCCOc1c(OC)cc(/C=N/NC(=O)C23CC4C[C@](C)(C2)C[C@@](C)(C4)C3)cc1[N+](=O)[O-] 169889304 YLIHCHLFUJCZDE-BLGOAPBQSA-N 457.571 5.229 50 10 JKGE CCCN1C(=O)C(C#N)=C(C)/C(=C/c2cn(-c3ccccc3)nc2-c2cc(C)c3c(c2)C[C@H](C)O3)C1=O 214220059 SQXWBCOLOUQLIQ-QETRNLNESA-N 492.579 5.173 50 10 JKGE N#C/C(=C/N(Cc1ccccc1)Cc1ccccc1)C(=O)Nc1ccccc1Sc1ccccc1 217243650 OVSVSFRDYAGGTK-RWEWTDSWSA-N 475.617 6.886 50 10 JKGE CC[C@H](C)c1ccc([C@H](Br)c2cc(Br)cc(Br)c2)cc1 234023636 OEUXTHKXVMTQKM-GTNSWQLSSA-N 461.035 7.209 50 10 JKGE Cc1cc([C@H](Cl)c2cc(Cl)ccc2I)sc1Br 235881178 NGIXWHNIIUYRKA-LLVKDONJSA-N 461.977 6.405 50 10 JKGE O=C(O)[C@@H]1Nc2ccc3ccccc3c2[C@@H]2[C@H](Cl)[C@H](Sc3ccccc3[N+](=O)[O-])C[C@H]12 245232255 RWKZLLKUCHKAOS-YRMMABQESA-N 454.935 5.499 50 10 JKGE COc1cc(C=NNC(=O)COc2ccc(Cl)cc2)ccc1OCc1cccc(Cl)c1 252606990 GXCGXQOXNAMETA-UHFFFAOYSA-N 459.329 5.110 50 10 JKGE Cc1cc(OCC(=O)NN=Cc2cccc(Oc3ccccc3)c2)c(C(C)C)cc1Br 254346406 FOSHFODXTSMCCJ-UHFFFAOYSA-N 481.390 6.202 50 10 JKGE COc1cc(C(=O)NN=Cc2c(OC(=O)c3ccc(C)cc3)ccc3ccccc23)cc(OC)c1OC 254385805 DDIHYFPDIPEFAJ-UHFFFAOYSA-N 498.535 5.157 50 10 JKGE C/C(C=NNC(=O)CSc1nnc(-c2ccccc2)n1-c1ccc(C)cc1)=C\c1ccccc1 254713945 HCCZXBQSHNUJBZ-FKDSPDOMSA-N 467.598 5.540 50 10 JKGE Cl[C@@H](c1cc(Br)c(Br)s1)c1cc2c(cc1Br)OCC2 308419042 SZFMYGYSFNXNRD-GFCCVEGCSA-N 487.438 6.299 50 10 JKGE Clc1ccsc1CC(CBr)(CBr)c1ccccc1Br 311385452 WPFXBYIVPVRIIR-UHFFFAOYSA-N 487.482 6.434 50 10 JKGE ClCCc1nc2cc(I)ccc2n1C[C@H]1CCCCN1Cc1ccccc1 379613679 XJAIQFGYNFYGMZ-LJQANCHMSA-N 493.820 5.477 50 10 JKGE COc1cccc([C@H](Br)c2cc(Br)ccc2Br)c1F 397446381 LYUXROCBPMYPHV-ZDUSSCGKSA-N 452.943 5.844 50 10 JKGE C[C@H](Cl)c1nc2cc(I)ccc2n1[C@@H]1CCN(Cc2ccccc2)C[C@H]1C 397952745 MAMBAMLKOXYKSK-GQIGUUNPSA-N 493.820 6.024 50 10 JKGE O=C(c1cc(Br)cc(Br)c1)N1CCC(CCCBr)CC1 401087503 WEJBYFQUJDBVHJ-UHFFFAOYSA-N 468.027 5.239 50 10 JKGE Fc1ccc([C@@H](Br)c2ccc(Br)cc2Br)c(F)c1Cl 689652490 PMAUEHDAXYLNOM-NSHDSACASA-N 475.352 6.628 50 10 JKGE C[C@H](Cl)c1nc2ccc(F)c(Br)c2n1[C@@]1(C)CCN(Cc2ccccc2)C1 689801521 WIUOZNZGUQELAK-QKKBWIMNSA-N 450.783 5.859 50 10 JKGE C[C@@H]1CN(Cc2ccccc2)C[C@@H]1Cn1c(CCl)nc2cc(I)ccc21 708510796 WAAFETFABWNHDN-NVXWUHKLSA-N 479.793 5.148 50 10 JKGE Cc1ccc(C)c(C[C@@H](Br)c2ccc(I)c(Br)c2)c1 721572190 KNOZMMQFRXGACZ-CQSZACIVSA-N 494.008 6.349 50 10 JKGE O=C(Nc1nccs1)[C@H](c1cccs1)N(C(=O)CCl)c1cccc(C(F)(F)F)c1 725237751 MXUSTERYRNOOHX-HNNXBMFYSA-N 459.902 5.175 50 10 JKGE FC(F)(F)Sc1cc(I)cc2c(CBr)csc12 725283852 XOKVTNQSYASFBY-UHFFFAOYSA-N 453.086 6.013 50 10 JKGE CCOc1cc(/C=C(\C#N)C(=O)Nc2cccc(Cl)c2Cl)c(Br)cc1OCC#N 1083930963 KLLJHMYTFBSEDY-MDWZMJQESA-N 495.160 5.603 50 10 JKGE O=C(NN=Cc1cccc(F)c1)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F 1083984642 ICZRYROUSPXBCI-UHFFFAOYSA-N 484.187 5.015 50 10 JKGE O=C(NN=Cc1ccc(OC(=O)c2sc3ccccc3c2Cl)cc1)c1ccccc1Cl 1084092152 NBPFRYGPFGWYNX-UHFFFAOYSA-N 469.349 6.191 50 10 JKGE Cc1ccc(Cl)cc1NC(=O)c1oc2c(c1C)C(=NNC(=O)c1cccc([N+](=O)[O-])c1)CCC2 1772745760 GOSBFMZDRWKCQG-UHFFFAOYSA-N 480.908 5.181 50 10 JKGE Cc1ccc(C)c(Cn2nc(-c3ccccc3)c3c2OC(N)=C(C#N)[C@H]3c2cccc(Cl)c2)c1 1865684534 ZZLBPEOGHYWVGD-XMMPIXPASA-N 466.972 6.087 50 10 JKGE Cc1ccc([C@H]2C(C#N)=C(N)Oc3c2c(-c2ccccc2)nn3Cc2ccccc2Cl)cc1 1865686580 XHNOKKCYKRGIRE-QHCPKHFHSA-N 452.945 5.778 50 10 JKGE CCN(CC)c1ccc([C@H]2C(C#N)=C(N)Oc3c2c(-c2ccccc2)nn3-c2ccc(Cl)cc2)cc1 1865702397 UZCYQCLCWLVEOJ-VWLOTQADSA-N 496.014 6.257 50 10 JKGE CC(C)Oc1ccccc1[C@@H]1C(C#N)=C(N)Oc2c1c(C(F)(F)F)nn2Cc1ccccc1Cl 1865705007 JZEXKZANTRABJB-LJQANCHMSA-N 488.897 5.609 50 10 JKGE Cc1ccc(Cn2nc(C(F)(F)F)c3c2OC(N)=C(C#N)[C@@H]3c2ccc(C(F)(F)F)cc2)cc1 1865710782 IGWFQMVUQDWRAX-KRWDZBQOSA-N 478.396 5.496 50 10 JKGE CCc1nn(Cc2cccc(F)c2)c2c1[C@@H](c1cccc(OCc3ccccc3)c1)C(C#N)=C(N)O2 1865711739 HDMMLTCZEQNAAA-SANMLTNESA-N 480.543 5.430 50 10 JKGE COc1ccc([C@H](CC(=O)N[C@H](CCSC)C(=O)Nc2ccc(SC#N)cc2)C(C)C)cc1C 1866773540 ZQKXLAMMDDHMRN-DHIUTWEWSA-N 499.702 5.583 50 10 JKGE CC(C)c1oc2cc(OC(=O)C(Cl)Cl)ccc2c(=O)c1-c1ccc(Cl)c(Cl)c1 1871386342 PRTHSAGISHUTAC-UHFFFAOYSA-N 460.140 6.599 50 10 JKGE COc1cc(/C=C(\C#N)c2ccc(C(=O)OC(C)C)o2)ccc1OCc1c(Cl)cccc1Cl 1872728477 DVSPUOLVBIDFET-GZTJUZNOSA-N 486.351 6.803 50 10 JKGE COc1cccc(OC)c1/C(O)=C(\C#N)c1nc(-c2cc(Cl)cc(Cl)c2OC)cs1 1872754189 HGTBSQXOVNAUDB-UYRXBGFRSA-N 463.342 6.093 50 10 JKGE COc1cc(/C=C/C(O)=C(\C#N)c2nc(-c3ccc(OC)c4ccccc34)cs2)ccc1OC(C)=O 1872758780 QGWLAYHENUMUPI-HXYGAVEPSA-N 498.560 6.412 50 10 JKGE COc1cc(/C=C(\C#N)c2nc(-c3cc(C)ccc3C)cs2)cc(Br)c1OC(C)C 1872790828 HCQHPQVVSOZDDZ-GIJQJNRQSA-N 483.431 7.049 50 10 JKGE COc1ccc(OC)c(-c2csc(/C(C#N)=C(\O)c3ccc4c(c3)C(=O)N(C(C)(C)C)C4=O)n2)c1 1873920559 IMXRDKFTVYFGMY-QOCHGBHMSA-N 489.553 5.172 50 10 JKGE BrCc1cc(Br)cc(Br)c1OC[C@@]12CCCC[C@H]1C2 1880375629 HCITZKMQOZQLGW-NHYWBVRUSA-N 453.012 6.066 50 10 JKGE C[C@]1(Cc2ccc(I)c(Br)c2)CC[C@@H](Br)C1 1904320830 CUYTYYDERDLEIG-ZWNOBZJWSA-N 457.975 5.550 50 10 JKGE COc1ccc([C@@H](Br)c2c(C)nsc2Br)cc1Br 1912973393 RKPARAXQCMCVCY-LLVKDONJSA-N 455.997 5.469 50 10 JKGE Cc1c(C(F)(F)F)cccc1S(=O)(=O)N(Cc1ccccc1)[C@@H](C)CCBr 1915100739 KHSWZUBDWLSEPE-AWEZNQCLSA-N 464.347 5.378 50 10 JKGE CC(C)[C@H](CBr)N(Cc1ccccc1)C(=O)c1ccc(Br)cc1O 1915298967 ZFCNMJMGMKGTOU-KRWDZBQOSA-N 455.190 5.217 50 10 JKGE CC(C)(CBr)N(Cc1ccccc1)C(=O)c1cccc(OCc2ccccc2)c1 1915765078 CDSDNXIBGSHBFI-UHFFFAOYSA-N 452.392 6.082 50 10 JKGE FC(F)(F)CC1([C@@H](Br)c2sc(Br)cc2Br)CCC1 1922906284 IEDHBFUPFHCZKT-VIFPVBQESA-N 470.974 6.832 50 10 JKGE Cc1c(Br)sc([C@@H](Br)[C@H]2CCCCC2(F)F)c1Br 1922955364 YPBIXLXCFJEJDJ-APPZFPTMSA-N 467.011 6.843 50 10 JKGE C[C@@]1([C@H](Cl)c2c(Br)sc(Br)c2Br)CCOC1 1924612229 KPENDZUMCJEXFK-GMSGAONNSA-N 453.421 5.742 50 10 JKGE Brc1sc(Br)c([C@H](Br)[C@@]23CC[C@@H]2C3)c1Br 1935462648 CKPWBIMOBGDRJW-TZQSSRQDSA-N 479.857 6.272 50 10 JKGE COC[C@@H]1C[C@@H]1[C@@H](Br)c1c(Br)sc(Br)c1Br 1988580184 RBFVFQJEMGIEOO-KZLJYQGOSA-N 497.872 5.754 50 10 JKGE COC[C@@H]1C[C@@H]1[C@H](Br)c1c(Br)sc(Br)c1Br 1988580185 RBFVFQJEMGIEOO-VPLCAKHXSA-N 497.872 5.754 50 10 JKGE BrCc1cc(Br)cc(Br)c1OCC1(Br)CCC1 2002770805 CMPITQQABFEJLS-UHFFFAOYSA-N 491.843 5.803 50 10 JKGE Cc1c([C@H](Br)c2sc(Cl)cc2Br)nn(C)c1Br 2002829273 LTHZXNVSPISASC-ZETCQYMHSA-N 463.420 5.453 50 10 JKGE BrCc1ccc(N2CCN(Cc3ccccc3)C3(CCC3)C2)c(Br)c1 2035791696 BMNYMKSCMXGLKX-UHFFFAOYSA-N 464.245 5.589 50 10 JKGE COc1ccc([C@H](Br)c2scc(C)c2Br)cc1Br 2039335477 DOQVYRVANZYCFQ-LBPRGKRZSA-N 455.009 6.074 50 10 JKGE Cc1cc([C@@H](Br)c2cc(C3CC3)c(Br)s2)c(Br)s1 2039500700 MJUPKXXKYQOOHF-LLVKDONJSA-N 471.077 7.005 50 10 JKGE COc1cc(C=C(C#N)c2nnc3n2CCCCC3)ccc1OC(=O)COc1cccc2ccccc12 2040465315 IIVKUZVXTRRQFI-UHFFFAOYSA-N 494.551 5.215 50 10 JKGE C[C@H](Cl)c1nc2ccc(Cl)c(Cl)c2n1CCCN(Cc1ccccc1)Cc1ccccc1 2041739336 SDPJPYWAZIBRBQ-IBGZPJMESA-N 486.874 7.735 50 10 JKGE Cc1c(Br)sc([C@H](Br)C2(CC3CCC3)CC2)c1Br 2069582290 ZORXGFBYUKJWCU-LBPRGKRZSA-N 457.069 6.988 50 10 JKGE CCc1nn(C)c([C@H](Br)c2cc(Br)c(C)s2)c1Br 2072302893 QCCFYXDYFAXXIW-LLVKDONJSA-N 457.029 5.362 50 10 JKGE Fc1ccc(Br)cc1[C@H](Cl)c1ccc(Br)cc1Br 2083330396 OBBLCEXVWXKFLM-CYBMUJFWSA-N 457.362 6.441 50 10 JKGE COc1cc(Br)c(OC[C@@H](CBr)C2CCC2)cc1Br 2089766913 VXVXUJIBAVSVSG-SNVBAGLBSA-N 457.000 5.410 50 10 JKGE Fc1ccc(OCc2ccc(Br)cc2Br)c(CBr)c1 2092265335 GWXUQBKJQIHHJK-UHFFFAOYSA-N 452.943 5.825 50 10 JKGE Oc1nc2ccc([C@@H](Br)c3csc(Br)c3Br)cc2o1 2093942608 WHHIHDZFPJMGHE-SECBINFHSA-N 467.964 5.604 50 10 JKGE Cc1cc(CCl)cc(S(=O)(=O)N(Cc2ccccc2)CC2CCC2)c1Br 2095908482 LFVPCCLEYGNXJK-UHFFFAOYSA-N 456.833 5.487 50 10 JKGE C[C@H]1CN(c2c(CCl)ccc(Br)c2Cl)[C@H](C)[C@@H](C)N1Cc1ccccc1 2098116064 FQBPZZNEOYOKTH-ARFHVFGLSA-N 456.255 6.329 50 10 JKGE BrCc1ccc(N2CCC[C@]3(CCN(Cc4ccccc4)C3)C2)cc1Br 2107015483 RNYQYNHVRYSZLU-JOCHJYFZSA-N 478.272 5.837 50 10 JKGE CC(C)(C)[C@@H]1[C@H](Br)CCN1Cc1cccc(Br)c1Br 2128675938 LILOUVPLQQRDTR-OCCSQVGLSA-N 454.044 5.596 50 10 JKGE Cc1cc(Br)c(C)c([C@H](Cl)c2c(Br)cnn2C)c1Br 2136379592 MBPBWVLXUQGZJX-LBPRGKRZSA-N 471.418 5.653 50 10 JKGE COc1cc(Cl)c([C@@H](Br)c2ccc(Br)cc2)cc1Br 2137640480 PRZLDKSIIHPLOL-AWEZNQCLSA-N 469.398 6.358 50 10 JKGE Cc1cc(Cl)c(Br)cc1[C@H](Br)c1c(Br)nn(C)c1C 2137644085 WQHZYFATBXBIHF-LBPRGKRZSA-N 471.418 5.700 50 10 JKGE COc1cc(Cl)c([C@H](Br)c2cccc(OCc3ccccc3)c2)cc1Br 2137645661 AHTXWGVWBLEJHV-OAQYLSRUSA-N 496.626 7.174 50 10 JKGE CCC[C@H]1CN(C(=O)c2cc(Br)c(Br)s2)C[C@H]1CBr 2140768443 DTBMIAOZELTYKB-DTWKUNHWSA-N 474.056 5.156 50 10 JKGE C[C@@H](Cl)c1nc2cc(I)c(F)cc2n1Cc1nccn1Cc1ccccc1 2146213280 CQOYIZUDDWUTGW-CYBMUJFWSA-N 494.739 5.373 50 10 JKGE FC(F)(F)c1ccc(Cl)c([C@@H](Br)c2sc(Cl)cc2Br)c1 2154480528 WMFIZBJFJKBHRB-SNVBAGLBSA-N 468.947 7.321 50 10 JKGE C[C@H](Cl)c1nc2cc(I)ccc2n1[C@H]1CCCN(Cc2ccccc2)CC1 2160560589 RKWXQPSXDPOOHM-LPHOPBHVSA-N 493.820 6.168 50 10 JKGE COc1cc(Br)c(C)cc1[C@@H](Cl)c1cc(I)ccc1F 2169664759 VPHRENXPARPMCN-HNNXBMFYSA-N 469.519 5.838 50 10 JKGE COc1cc(Br)c(Oc2cccc(C)c2CBr)cc1Br 2196800503 MAGVTSROVNJDII-UHFFFAOYSA-N 464.979 6.216 50 10 JKGE Cc1cc(Br)c(C)c([C@@H](Br)c2ccc(F)cc2Cl)c1Br 2201069277 KBHBDCMOMVPCAB-HNNXBMFYSA-N 485.416 7.105 50 10 JKGE Fc1ccc(COc2c(CBr)ccc(Br)c2Cl)c(Br)c1 2206262410 ZKYYJCGMRUQBRY-UHFFFAOYSA-N 487.388 6.478 50 10 JKGE C[C@@H]1CC[C@H](c2sc(Br)c(Br)c2Br)C[C@@H]1Br 2212189701 OCDKZVCOLUTVRC-VQVTYTSYSA-N 495.900 6.703 50 10 JKGE C[C@@H](CBr)N(Cc1ccccc1)c1ncc(C(F)(F)F)cc1Br 2212715694 QNXGQRLMEFZJPO-NSHDSACASA-N 452.112 5.653 50 10 JKGE Fc1cc(Br)c(Br)cc1[C@@H](Br)c1ccc(Br)o1 2213494263 ZHGCTNRBVBWVPO-LLVKDONJSA-N 491.774 6.191 50 10 JKGE Cc1ccsc1[C@@H](Br)c1c(Br)cc(C)c(Br)c1C 2220151219 QBQXLCZUWLJPTH-ZDUSSCGKSA-N 453.037 6.683 50 10 JKGE CC(C)n1nc(Br)cc1C[C@@H](Br)c1cccc(Br)c1 2224273949 XJOPWTSISQCWBW-CYBMUJFWSA-N 451.000 5.668 50 10 JKGE Cc1nc([C@@H](Br)c2ccc3c(c2Br)CCO3)c(Br)s1 2229738504 GLFCOEPKDUYMAL-NSHDSACASA-N 468.008 5.396 50 10 JKGE Cc1cc([C@@H](Br)c2c(Br)cc(Cl)c(Cl)c2Cl)ccc1F 2232509334 CRVQTQUWOWEEOI-GFCCVEGCSA-N 461.383 7.341 50 10 JKGE Cc1cc(Br)c([C@@H](Br)c2c(Br)c(C)nn2C)c(C)c1Cl 2232527724 PKCCIAQTCYVWJU-GFCCVEGCSA-N 485.445 6.008 50 10 JKGE FC(F)(F)[C@@H]1CC[C@H]1[C@@H](Br)c1cc(I)cc2c1OCC2 2232577240 NYTWZPQYINLHJD-YUSALJHKSA-N 461.059 5.251 50 10 JKGE Fc1cc(Br)c(Br)cc1[C@H](Br)C1Cc2ccccc2C1 2233974253 DFCFJIZDLLOZDY-MRXNPFEDSA-N 462.982 6.202 50 10 JKGE Fc1cc(Br)c(Br)cc1[C@H](Br)[C@@H]1C[C@@H]1c1ccccc1 2233976014 NBTVAEDZOHJYKV-GLKRBJQHSA-N 462.982 6.590 50 10 JKGE Fc1cc(Br)c(Br)cc1[C@H](Br)[C@@H]1Cc2ccccc2O1 2233978175 YVGUQFISIHURGR-GJZGRUSLSA-N 464.954 5.790 50 10 JKGE Cc1cc([C@H](Br)Cc2ccc(Br)cc2Cl)c(C)cc1Br 2237450557 IPXWDIWIPNZSKE-OAHLLOKOSA-N 481.453 7.161 50 10 JKGE COCC12CCC([C@H](Br)c3cc(Br)c(Br)s3)(CC1)CO2 2237696151 RCCUCJLYURFRGU-LMWSTFAQSA-N 489.067 5.685 50 10 JKGE Clc1cccc(Br)c1[C@H](Br)c1ccc2c(c1Br)CCO2 2238071778 QIZUMCPOMPZMAC-OAHLLOKOSA-N 481.409 6.284 50 10 JKGE Cc1cc(Br)c([C@H](Br)[C@H]2OCC[C@@H]2C(F)(F)F)cc1Br 2240538549 WYOCZHJTBSMOEJ-UWJYBYFXSA-N 480.944 5.923 50 10 JKGE FC1(F)CC[C@H]([C@H](Cl)c2c(Br)sc(Br)c2Br)C1 2252721269 LJXOYTJMEQKYMY-FFWSUHOLSA-N 473.402 6.751 50 10 JKGE BrCc1cc(Br)cc(Br)c1OC[C@H]1CCC12CCC2 2266151590 FTHHCTKORLKBFR-LLVKDONJSA-N 453.012 6.066 50 10 JKGE CC1(C)CC[C@@H]([C@@H](Br)c2c(F)cc(Br)c(F)c2Br)C1 2272856045 RDCOLDPBUPZCFR-RDDDGLTNSA-N 460.982 6.752 50 10 JKGE Cc1cc(F)cc([C@H](Br)Cc2cc(Br)cc(Br)c2)c1 2277960716 KVGPLOUIWYOYEI-OAHLLOKOSA-N 450.971 6.338 50 10 JKGE COc1ccc([C@H](Br)Cc2ccc(F)c(F)c2)cc1I 2284999478 PWJPTWBUIQTQBW-LLVKDONJSA-N 453.064 5.257 50 10 JKGE Cc1cc([C@H](Br)c2cc(Br)c(F)cc2C)c(C)cc1Br 2285938945 IMZDAMCPOBIGCU-INIZCTEOSA-N 464.998 6.760 50 10 JKGE Fc1cc(Br)c(F)c(Br)c1[C@@H](Br)C1C[C@@H]2CC[C@H](C1)O2 2288360564 XPMUALUEIQBWLY-HWGFMYQCSA-N 474.965 5.883 50 10 JKGE COc1cc(C=C(C#N)C(=O)Nc2cccc(C)c2)c(Br)cc1OCc1ccccc1 2294619850 BIQKDRQLMNWRRD-UHFFFAOYSA-N 477.358 5.891 50 10 JKGE COc1c(Br)cc(Cl)c(C)c1[C@H](Cl)c1ccccc1I 2295280475 BWKDBCKRBYYULQ-CQSZACIVSA-N 485.974 6.352 50 10 JKGE COc1cc(C=C(C#N)C(=O)Nc2cc(Cl)cc(Cl)c2)ccc1OCc1ccc(C)cc1 2295459651 JPOSBVSIEKYGDV-UHFFFAOYSA-N 467.352 6.435 50 10 JKGE CCOC(=O)c1ccc(NC(=O)C(C#N)=Cc2cn(-c3ccccc3)nc2-c2ccc(C)cc2)cc1 2296725435 MQQLYYMMTZIFIE-UHFFFAOYSA-N 476.536 5.570 50 10 JKGE COc1ccc(OC)c(NC=C(C#N)c2nc(-c3cc4c(ccc5ccccc54)oc3=O)cs2)c1 2296751922 RRVCZHVTVZVHIP-UHFFFAOYSA-N 481.533 6.063 50 10 JKGE Cc1csc([C@H](Br)c2ccc(OCc3ccccc3)cc2Br)c1Cl 2299529430 BLVFGFORSNDGNM-QGZVFWFLSA-N 486.656 7.536 50 10 JKGE C[C@@H]1COCC[C@H]1[C@@H](Br)c1ccc(OCc2ccccc2)cc1Br 2299529585 DEGLPKOBZHJVBP-WIBUTAKZSA-N 454.202 6.137 50 10 JKGE Brc1cc(OCc2ccccc2)ccc1[C@@H](Br)C1CCCCCC1 2299530441 LZCSRBBHILOOJT-NRFANRHFSA-N 452.230 7.435 50 10 JKGE COc1cc(C=C(C#N)C(=O)Nc2cccc(Cl)c2Cl)ccc1OCc1ccccc1F 2313571019 LMXXGHFEDWMWCR-UHFFFAOYSA-N 471.315 6.266 50 10 JKGE COc1cc(C=C(C#N)C(=O)Nc2ccc(Cl)cc2)ccc1OCc1cccc(Cl)c1 2313630699 FBGUZQVEGOBGMS-UHFFFAOYSA-N 453.325 6.127 50 10 JKGE CCC(F)(F)C(C)(C)[C@@H](Br)c1ccc(OCc2ccccc2)cc1Br 2314454977 KOTSWIVZDMFXBV-SFHVURJKSA-N 476.199 7.536 50 10 JKGE Cc1c([N+](=O)[O-])cc(C(O)=C(C#N)c2nc3cc(C(F)(F)F)ccc3s2)cc1[N+](=O)[O-] 2314483052 YRYCQLZAPNUZMY-UHFFFAOYSA-N 450.354 5.390 50 10 JKGE Fc1c(Br)cc(Cl)c([C@@H](Br)[C@H]2C[C@@H]3C[C@@H]3C2)c1Br 2315457401 BVPIZMYHQXVFAJ-UWVKOVSDSA-N 461.394 6.486 50 10 JKGE COC12CCC([C@@H](Br)c3sc(Cl)cc3I)(CC1)C2 2316772774 XUSLMKKGKACKPG-HIFPTAJRSA-N 461.590 5.791 50 10 JKGE CC(C)CN(Cc1ccc(I)c(Br)c1)C[C@H](C)Br 2325214879 SZOSTRRNJKGBAD-NSHDSACASA-N 489.033 5.295 50 10 JKGE C[C@H]1C[C@H](Br)CCN(Cc2ccc(I)c(Br)c2)C1 2325225753 IRKPDYXWJNCZHN-CMPLNLGQSA-N 487.017 5.049 50 10 JKGE COc1cccc(C=C2Oc3cc(OCc4cccc(CCl)c4)cc(C)c3C2=O)c1OC 2325361089 DHGLEBOUFTXGPC-UHFFFAOYSA-N 450.918 5.946 50 10 JKGE CC(C)c1ccc(C=CC(=O)NN=C2C(=O)N(Cc3ccccc3Cl)c3ccccc32)cc1 2326839952 DFUYDNZCNOXIPF-UHFFFAOYSA-N 457.961 5.544 50 10 JKGE N#CC(=C(O)C(=Cc1ccccc1)c1ccccc1)c1nc(-c2cccc(Br)c2)cs1 2331279320 JCHMJPRUHPUCKE-UHFFFAOYSA-N 485.406 7.606 50 10 JKGE Cc1ccc(-c2csc(C(C#N)=C(O)CCCN3C(=O)c4ccc([N+](=O)[O-])cc4C3=O)n2)c(C)c1 2331311233 GPZXQWIKLAICIA-UHFFFAOYSA-N 488.525 5.204 50 10 JKGE COc1c(Cl)cc(Cl)cc1-c1csc(C(C#N)=C(O)[C@H](C)Oc2ccccc2C(C)C)n1 2331362891 XPFLORBBWHHWOZ-AWEZNQCLSA-N 489.424 7.509 50 10 JKGE CCOc1ccc(OCC)c(-c2csc(C(C#N)=C(O)CCCOc3ccc(C)cc3)n2)c1 2331376500 KOMJBGNHOUPSHO-UHFFFAOYSA-N 464.587 6.568 50 10 JKGE COc1ccc(-c2csc(C(C#N)=C(O)Cc3ccc(Cl)c(Cl)c3)n2)c2ccccc12 2331405046 IRXLTAFZNYJDJK-UHFFFAOYSA-N 467.377 7.314 50 10 JKGE CCOc1cc(C=C(C#N)c2nc(-c3c(C)c(C)cc(C)c3C)cs2)ccc1OCc1ccccc1 2331468568 ZHYCLWHGTJZIER-UHFFFAOYSA-N 494.660 8.086 50 10 JKGE CN(c1ccc(Br)cc1CBr)[C@H]1C[C@@H]2C[C@@H](OCc3ccccc3)C[C@H]12 2332003382 UDXPJJYFCZYSDI-SZFLOTBDSA-N 479.256 6.164 50 10 JKGE C[C@]1([C@@H](Br)c2cc(Br)ccc2OCc2ccccc2)CCCCC1(F)F 2336055472 AFOJIWSFSKXCTG-VQTJNVASSA-N 488.210 7.680 50 10 JKGE CCCc1sc(Br)cc1[C@@H](Br)c1ccc(F)c(Br)c1 2338022201 UVUFMJKBCSCVSD-AWEZNQCLSA-N 471.027 6.849 50 10 JKGE Cc1cc(Br)c(F)c(Br)c1[C@H](Br)[C@@H]1C[C@@H]1[C@@H]1C[C@@H]1C 2339651611 QWHAXMLQKWWBFY-WVKMQLBRSA-N 455.003 6.387 50 10 JKGE CC(C)c1cccc(CO[C@]2(CI)CCCN(C(=O)OC(C)(C)C)C2)c1 2343784867 CAPMTXBXEAQNQI-NRFANRHFSA-N 473.395 5.531 50 10 JKGE CC(C)([C@H](Br)c1c(Cl)cc(Br)c(F)c1Br)[C@H]1CCCO1 2362253177 HWULKARJOCESHR-NOZJJQNGSA-N 493.436 6.645 50 10 JKGE Cc1cc(Br)c(F)c(Br)c1[C@H](Br)[C@H]1OC[C@@H]2CCC[C@H]12 2365180894 UEYNMDHJABZEOM-CMHQFQFSSA-N 471.002 5.910 50 10 JKGE COc1c(Br)cc(C)c([C@@H](Br)[C@H]2CCC(F)(F)C2)c1Br 2365197096 SMIOLIUWYBRYON-KWQFWETISA-N 476.981 6.400 50 10 JKGE COc1c(Br)cc(C)c([C@H](Br)C2(OC)CC(C)C2)c1Br 2365217798 HPNFAAKSNBMAMS-MLRNSFOPSA-N 471.027 5.780 50 10 JKGE COc1cc(Cl)c(CBr)c(N2C[C@@H](C)CN(Cc3ccccc3)C[C@@H]2C)c1 2365803872 BBBPXWCBHBPYAO-IRXDYDNUSA-N 451.836 5.590 50 10 JKGE Clc1ccc(C[C@]2(CBr)CCCCC23CCC3)c(I)c1 2366711149 UAKQBJOBLJAQTF-KRWDZBQOSA-N 467.616 6.613 50 10 JKGE Clc1ccc(CN2CC3(CCCC3)C[C@H]2CBr)c(I)c1 2366727589 UYPWIULMLWEYFJ-AWEZNQCLSA-N 468.604 5.474 50 10 JKGE O=C(c1scc(Br)c1Cl)N1CCC[C@H](Br)[C@@H]1C(F)(F)F 2370254639 NTVWBYKKRCYDCA-SSDLBLMSSA-N 455.521 5.094 50 10 JKGE Cc1cc(Br)c(C(C)C)cc1[C@@H](Cl)c1ccccc1I 2380930715 GPOOIMVIZLQSPD-KRWDZBQOSA-N 463.584 6.814 50 10 JKGE CCc1ccc([C@H]2C(C#N)=C(N)N(c3cc([N+](=O)[O-])ccc3Cl)C3=C2C(=O)CC(C)(C)C3)s1 6284158 GHSQHIBRAQBXMS-OAQYLSRUSA-N 482.993 5.813 50 10 JKGE CCOc1cc(/C=C(/C#N)C(=O)Nc2ccc([N+](=O)[O-])cc2)ccc1OCc1ccc(F)cc1 6600598 JCGGJHSUCRYETF-UYRXBGFRSA-N 461.449 5.257 50 10 JKGE CCOC(=O)c1c(NC(=O)/C(C#N)=C/c2ccc(-c3ccc(F)cc3)o2)sc2c1CCCC2 28287369 QDVRDTOOYSUANE-DTQAZKPQSA-N 464.518 5.748 50 10 JKGE Cc1cccn2c(=O)c(/C=C(\C#N)c3nc4ccccc4[nH]3)c(Oc3ccc(Cl)cc3)nc12 35549943 HRRMSKQFOKZOJQ-DTQAZKPQSA-N 453.889 5.389 50 10 JKGE CC(C)c1ccccc1N1C(=O)CS[C@@H]1c1ccc(NC(=O)[C@@H](Cl)c2ccccc2)cc1 35927520 OVSUEIDDYPBGGB-AZGAKELHSA-N 465.018 6.507 50 10 JKGE N#CC1=C(N)Oc2cc(OC(=O)c3cccc(Cl)c3)ccc2[C@H]1c1cccc(Br)c1 38651537 YLUYRGYRQYUKJJ-OAQYLSRUSA-N 481.733 5.540 50 10 JKGE CCOc1ccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4ccccc4Br)ccc32)cc1 38685646 XAXYHSFJKBEGNU-HSZRJFAPSA-N 491.341 5.285 50 10 JKGE COC(=O)c1ccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4oc5cc(C)ccc5c4C)ccc32)cc1 38700892 VJXQOJRGUXEKQA-VWLOTQADSA-N 494.503 5.274 50 10 JKGE CS(=O)(=O)c1cccc([C@H](Br)c2cc(Br)ccc2Br)c1 40280646 LMMVBBXWHIJWBY-AWEZNQCLSA-N 483.019 5.099 50 10 JKGE C=CCOc1cccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)COc4cccc(C)c4C)ccc32)c1 40529890 WBPOAZXDLGNLCY-MUUNZHRXSA-N 482.536 5.071 50 10 JKGE O=C(CSc1c(Cl)c(Cl)c(Cl)c(Cl)c1Cl)N/N=C/c1c(F)cccc1Cl 59148399 KZCADUBENHFXGE-QFSHWATDSA-N 495.017 6.989 50 10 JKGE C[C@@H]1CCCC[C@@H]1NC(=O)[C@@H](c1ccccc1Cl)N(CCc1ccccc1)C(=O)CCl 97914346 FNRXHCXFBLOJSR-RVSNTGDXSA-N 461.433 5.386 50 10 JKGE N#C/C(=C/Nc1cccc(Br)c1)c1nc(-c2cc3ccccc3oc2=O)cs1 100057791 FYGKFGYSCJOTQO-KAMYIIQDSA-N 450.317 5.656 50 10 JKGE Cc1ccc(N/C(SCc2cccc([N+](=O)[O-])c2)=C(\C#N)C(=O)NCc2ccco2)cc1C 105422647 MNSRQQFFTRVHEB-GYHWCHFESA-N 462.531 5.202 50 10 JKGE CCCCCCCCCCOc1ccc(C(=O)N/N=C/c2ccc(Sc3ccccn3)o2)cc1 105427645 OVLGBTDNHCPGRG-XHLNEMQHSA-N 479.646 7.109 50 10 JKGE Cc1cc(Br)c([C@H](Br)c2ccccc2I)s1 114542665 HSTALUNZELYUGC-LLVKDONJSA-N 471.983 5.908 50 10 JKGE C[C@H]1COc2ccc([C@H](Cl)c3cc(Br)c(Br)s3)cc2OC1 128565506 IFDCMJPZOJTMHW-RTHLEPHNSA-N 452.595 6.009 50 10 JKGE Cc1cc(Br)c([C@H](Br)[C@@H]2COc3ccccc32)cc1Br 128787011 VINBBZHZICPWKJ-WBMJQRKESA-N 460.991 6.132 50 10 JKGE CCn1nc(-c2ccccc2)c(-c2ccccc2)c(C(=O)Nc2nc(CCl)cs2)c1=O 170507762 BGEMINNVWGRPDV-UHFFFAOYSA-N 450.951 5.045 50 10 JKGE FC(F)(F)COCC[C@H](Br)c1cc(Br)c(Br)s1 232344731 VGQUCJZCPAVKCG-YFKPBYRVSA-N 460.935 5.678 50 10 JKGE CCCCCCCCOc1c(Br)cc(CBr)cc1Br 232932170 KGAOPSTYZIUIAY-UHFFFAOYSA-N 457.044 6.846 50 10 JKGE COc1cc(F)c(Br)cc1[C@@H](Br)c1cccc(Br)c1C 234866649 ICHWVWWOWUUQKN-HNNXBMFYSA-N 466.970 6.152 50 10 JKGE Fc1ccc([C@@H](Br)Cc2c(F)cccc2Cl)c(I)c1 236163353 XBFVBGFPEQSFJI-NSHDSACASA-N 457.483 5.902 50 10 JKGE CCc1ccc(-c2cc(C(=O)NN=Cc3cc(OC)c(OC)cc3OC)c3ccccc3n2)cc1 252628865 SZOBKZVQSWMCNV-UHFFFAOYSA-N 469.541 5.254 50 10 JKGE CC(=NNC(=O)c1cc(-c2ccc(Cl)cc2)nc2c1c(C)nn2C)c1cccc(OC(F)F)c1 254393442 WIZWFLMKTZELNI-UHFFFAOYSA-N 483.906 5.353 50 10 JKGE O=C(CSCc1ccc(Cl)cc1)NN=Cc1ccc(OCc2cccc3ccccc23)cc1 254487582 FUQPFTAROQRITN-UHFFFAOYSA-N 475.013 6.456 50 10 JKGE CCc1cc(C)sc1[C@@H](Br)c1cc(Cl)ccc1I 311216723 NJNGKQVVCGZLLW-ZDUSSCGKSA-N 455.586 6.361 50 10 JKGE COc1c(Br)cc(Cl)cc1[C@@H](Br)c1c(C)cccc1Br 312881610 VJESQLWBSRQMHO-CQSZACIVSA-N 483.425 6.666 50 10 JKGE Fc1ccc([C@@H](Br)c2scc(C(F)(F)F)c2Br)c(Br)c1 380101560 GUTIUJYZMRFMDI-SECBINFHSA-N 496.943 6.915 50 10 JKGE Clc1cccc(C(CBr)(CBr)Cc2ncccc2Br)c1 380838918 WUZGTOUOZWZMQJ-UHFFFAOYSA-N 482.441 5.768 50 10 JKGE C[C@H](Cl)c1nc2cc(I)c(F)cc2n1Cc1cnn(Cc2ccccc2)c1 390449896 WATHNJVVVLBZOV-ZDUSSCGKSA-N 494.739 5.373 50 10 JKGE Cc1cc([C@H](Br)c2c(Br)cc(F)c(F)c2F)sc1Br 398811261 YCDWGLWSWGRCKA-VIFPVBQESA-N 478.953 6.483 50 10 JKGE CC(C)(C)OC(=O)NCCN1CCO[C@@H](c2ccc(CO[Si](C)(C)C(C)(C)C)cc2)C1 616646239 JJDOWTULBCGKGR-OAQYLSRUSA-N 450.696 5.106 50 10 JKGE COCc1cc(Br)c([C@@H](Br)Cc2cccc(Br)c2)s1 688141807 AIVWDEZHUGRJJF-LBPRGKRZSA-N 469.036 6.098 50 10 JKGE C[C@H]1CCCN(C(=O)c2cc(Br)c(Br)s2)[C@@H]1CCBr 697245068 GSPPPXIGICDEOW-WCBMZHEXSA-N 474.056 5.299 50 10 JKGE Cc1cc(F)c([C@H](Br)c2scc(Br)c2Br)cc1C 705479045 YXCZJMXTHCAPHF-NSHDSACASA-N 457.000 6.513 50 10 JKGE CCc1ccc([C@H](Br)c2ccc(I)c(Br)c2)cc1 721594633 QGTAIZXHWWRZRB-HNNXBMFYSA-N 479.981 6.100 50 10 JKGE Cc1cc(C)cc(CSCC(=O)NN=Cc2cc(C)n(-c3cccc(Cl)c3Cl)c2C)c1 725393903 MRSYZJVVOTUSJV-UHFFFAOYSA-N 474.457 6.401 50 10 JKGE Cc1cc(C=NNC(=O)CSCc2ccccc2Br)c(C)n1-c1ccc(Cl)cc1 1083845922 MDUOOBOQONXQCB-UHFFFAOYSA-N 490.854 5.894 50 10 JKGE C=CCOc1c(CC=C)cc(/C=C(\C#N)C(=O)Nc2cccc(Cl)c2Cl)cc1OCC 1083856803 XVVJJFNVMUOYJR-QGOAFFKASA-N 457.357 6.231 50 10 JKGE CCOc1ccc(C=NNC(=O)c2ccc(-n3c(C)ccc3-c3ccccc3)cc2)c(OCC)c1 1083951484 JOJRZSCZEDMPQT-UHFFFAOYSA-N 467.569 6.014 50 10 JKGE CC(C)(C)c1ccc(C(=O)Nc2ccc(C(=O)NN=Cc3cc(Br)ccc3O)cc2)cc1 1084075148 GHIIEFYQAHYXRB-UHFFFAOYSA-N 494.389 5.468 50 10 JKGE CCCCCOc1ccc([C@H]2CN(C(=O)OC(C)(C)C)C[C@H]2CI)cc1 1614689362 YMZVYULJUMUPSU-IEBWSBKVSA-N 473.395 5.641 50 10 JKGE CC(C)(C)OC(=O)N1C[C@@H](CBr)[C@@H](c2cc(C(F)(F)F)ccc2Br)C1 1614691155 GSWBAQNBRNYJIV-MFKMUULPSA-N 487.154 5.813 50 10 JKGE Cc1c(C(=O)Nc2ccccc2C(F)(F)F)oc2c1C(=NNC(=O)c1ccccc1)CCC2 1772745361 YWHQUZIXIFJLFI-UHFFFAOYSA-N 455.436 5.330 50 10 JKGE Cc1c(C(=O)NCCC(C)C)oc2c1C(=NNC(=O)c1ccc(Cl)cc1Cl)CCC2 1772745976 ONNSTXWXSGNCNC-UHFFFAOYSA-N 450.366 5.141 50 10 JKGE Cc1c(C(=O)N2c3ccccc3C[C@H]2C)oc2c1C(=NNC(=O)c1ccc3ccccc3n1)CCC2 1772751222 KTHNWIDWJCEXAA-QGZVFWFLSA-N 478.552 5.198 50 10 JKGE Cc1cc(C)c2c(CC(=O)NN=C3CCCc4oc(C(=O)NCCc5ccccc5)c(C)c43)coc2c1 1772751770 MIWKHISBOOXIDP-UHFFFAOYSA-N 497.595 5.323 50 10 JKGE Cc1cc(C)c2c(CC(=O)NN=C3CCCc4oc(C(=O)NCCC(C)C)c(C)c43)coc2c1 1772752111 ZLEGOCBGSUQKFQ-UHFFFAOYSA-N 463.578 5.126 50 10 JKGE COc1cc(C=NNC(=O)c2ccc(Br)cc2)ccc1OCc1ccccc1Cl 1772752849 LTEQCLMHQJHECL-UHFFFAOYSA-N 473.754 5.454 50 10 JKGE CCc1nn(-c2cccc3ccccc23)c2c1[C@H](c1c(Cl)cccc1Cl)C(C#N)=C(N)O2 1865685749 MNLFZBDMIUHTKD-NRFANRHFSA-N 461.352 6.113 50 10 JKGE CCCCCOc1ccc([C@H]2C(C#N)=C(N)Oc3c2c(C)nn3Cc2cc(C)ccc2C)cc1 1865689557 CAALGLXWULVFRT-SANMLTNESA-N 456.590 5.644 50 10 JKGE CCc1nn(Cc2cc(C)ccc2C)c2c1[C@H](c1ccc(OCc3ccccc3)cc1)C(C#N)=C(N)O2 1865690536 UGSQMTKIOCFFPX-MUUNZHRXSA-N 490.607 5.908 50 10 JKGE CCCc1nn(Cc2cc(C)ccc2C)c2c1[C@@H](c1cccc(OC)c1OCC)C(C#N)=C(N)O2 1865694063 UBEAPQGRAXLXFF-DEOSSOPVSA-N 472.589 5.126 50 10 JKGE Cc1ccc(C)c(Cn2nc(-c3ccccc3)c3c2OC(N)=C(C#N)[C@@H]3c2ccc3c(c2)OCCO3)c1 1865698167 MEEZCULRDAJCAE-SANMLTNESA-N 490.563 5.205 50 10 JKGE N#CC1=C(N)Oc2c(c(-c3ccccc3)nn2Cc2ccc(Cl)cc2)[C@@H]1c1ccc(C(=O)O)cc1 1865708806 GKHIKXBFCBTDJY-JOCHJYFZSA-N 482.927 5.168 50 10 JKGE N#CSc1ccc(NC(=O)[C@H](Cc2ccccc2)NC(=O)C[C@@H](c2ccccc2)C2CC2)cc1 1866729706 NOWZIYRQGQIHSE-UIOOFZCWSA-N 469.610 5.510 50 10 JKGE COc1ccc([C@@H](CC(=O)N[C@@H](CCSC)C(=O)Nc2ccc(SC#N)cc2)C(C)C)cc1C 1866773541 ZQKXLAMMDDHMRN-GOTSBHOMSA-N 499.702 5.583 50 10 JKGE CC(C)c1nc(Nc2ccc(SC#N)cc2)cc(N2[C@@H](Cc3ccccc3)COCC2(C)C)n1 1868231275 BBBVXPFRCBWVHB-QFIPXVFZSA-N 473.646 6.143 50 10 JKGE CCc1nc(Nc2ccc(SC#N)cc2)cc(N2CCC[C@@H]2C(=O)c2ccc(OC)c(C)c2)n1 1868277665 DGZRASZUXJXFKK-OAQYLSRUSA-N 473.602 5.525 50 10 JKGE COc1cc(/C=C(\C#N)c2ccc(C(=O)OC(C)C)o2)ccc1OCC(=O)Nc1ccc(C)cc1C 1872728819 VWCWDSJRSKVFAW-FYJGNVAPSA-N 488.540 5.552 50 10 JKGE COc1ccc(-c2csc(/C(C#N)=C(O)/C=C/c3cc(Br)c(OC)c(OC)c3)n2)cc1 1872745883 IDZWTUNOKUMJGU-UARHOMKASA-N 499.386 6.104 50 10 JKGE N#C/C(=C(O)\C=C\c1cccc([N+](=O)[O-])c1)c1nc(-c2ccc(Br)cc2)cs1 1872746826 ZUUXMIZIANPPOX-OWKATGKCSA-N 454.305 5.987 50 10 JKGE COc1cc(/C=C(\C#N)c2nc(-c3cc(C)ccc3C)cs2)ccc1OC(=O)c1ccccc1 1872790777 DRTSMSIGEXUFCF-HYARGMPZSA-N 466.562 6.719 50 10 JKGE C[C@H](CBr)N(Cc1ccccc1)Cc1ccc(Cl)c(I)c1 1887438141 HYUSNGMNORTKOP-CYBMUJFWSA-N 478.599 5.730 50 10 JKGE Brc1cc2c(cc1[C@H](Br)C1CC(Br)C1)OCCCO2 1887735332 CUCSNEXCHBNIEW-OAQUUNCKSA-N 454.984 5.220 50 10 JKGE CC[C@H](Br)CN(Cc1ccccc1)S(=O)(=O)c1ccc(Br)cc1Cl 1915077239 HGCPWEQVFZZKQY-AWEZNQCLSA-N 495.664 5.467 50 10 JKGE Cc1sc(Br)cc1S(=O)(=O)N(Cc1ccccc1)[C@@H](C)CCBr 1915089317 XJMRXQWQOCWBFP-LBPRGKRZSA-N 481.275 5.183 50 10 JKGE COc1ccc(C(=O)N(Cc2ccccc2)[C@@H](CBr)C2CC2)cc1Br 1915264794 MMUZECAMYGMMCQ-SFHVURJKSA-N 467.201 5.274 50 10 JKGE O=C(Cc1ccc(Br)cc1F)N(Cc1ccccc1)C1(CBr)CCC1 1915759142 AAFZYJGTIJGZLI-UHFFFAOYSA-N 469.192 5.477 50 10 JKGE COc1cc([C@@H](Br)c2sc(Br)cc2Br)ccc1C 1922945541 HLQJBJSIZVSLST-GFCCVEGCSA-N 455.009 6.074 50 10 JKGE CC(C)(C)OC(=O)NN=Cc1cc(Br)c(OCc2ccccc2)c(Br)c1 1923599974 WRMCTMRPWSTXBJ-UHFFFAOYSA-N 484.188 5.649 50 10 JKGE Cc1oc(C)c([C@@H](Cl)c2c(Br)sc(Br)c2Br)c1C 1924585216 IZOAXQWDQMCCQQ-SNVBAGLBSA-N 477.443 6.882 50 10 JKGE CSc1ccc([C@H](Cl)c2c(Br)sc(Br)c2Br)cc1 1924589845 GBSUTHQEJQHITE-JTQLQIEISA-N 491.495 7.086 50 10 JKGE CCOc1ccc([C@H](Br)c2csnc2Br)c(Br)c1 1925248600 QYYNOOOUVYKJPM-NSHDSACASA-N 455.997 5.551 50 10 JKGE Fc1ccc(Br)cc1[C@@H](Br)c1sc(Cl)cc1Br 1948827731 CXQLUEMPINBTBV-SNVBAGLBSA-N 463.391 6.550 50 10 JKGE Clc1ccc(Br)cc1CN(Cc1ccccc1)[C@@H](CBr)C1CC1 1979519106 BWSTXGGOYSQODI-IBGZPJMESA-N 457.637 6.278 50 10 JKGE COc1sc([C@@H](Cl)Cc2ccccc2I)cc1Br 2034638470 GEMJEBYWXRMYNF-JTQLQIEISA-N 457.558 5.646 50 10 JKGE CC1(C)CCC[C@H]([C@H](Br)c2sc(Br)cc2Br)CC1 2039353223 DAUDBJQIKLLJCQ-CABZTGNLSA-N 459.085 7.316 50 10 JKGE N#CC(=Cc1cc2ccccc2nc1N1CCCCC1)S(=O)(=O)c1cc(Cl)ccc1Cl 2040446216 DHFJTVGYSVGYDZ-UHFFFAOYSA-N 472.397 5.870 50 10 JKGE COc1cc([C@@H](Cl)c2cc(Br)sc2Br)ccc1Br 2072060269 BKFHQOMIPPWMEJ-LLVKDONJSA-N 475.427 6.372 50 10 JKGE CC(C)Cc1ccc(Cn2nc(CBr)c(Br)c2C(F)(F)F)cc1 2079233279 RKKXFRZECSGJPC-UHFFFAOYSA-N 454.128 5.806 50 10 JKGE Cc1cc(Br)c(C)c([C@@H](Br)[C@@H](C)C(F)(F)F)c1Br 2081070508 JVKBJWXTKZBWAT-HQJQHLMTSA-N 452.934 6.463 50 10 JKGE Brc1scc([C@H](Br)c2ccc3c(c2)OCCO3)c1Br 2093942231 NLBCZCMDYLQXKX-LLVKDONJSA-N 468.992 5.529 50 10 JKGE C[C@@H]1CCCN(Cc2c(Br)cccc2Br)[C@@H]1CCBr 2094088485 LPSHOLVJZCYITQ-IAQYHMDHSA-N 454.044 5.597 50 10 JKGE CN(C(=O)c1c(Br)cccc1Br)[C@@H](CBr)C(C)(C)C 2094094746 FNGRGCSNRJLTKE-NSHDSACASA-N 456.016 5.093 50 10 JKGE FC1(F)C2(CCC2)[C@@]1(CBr)Cc1c(Br)cccc1Br 2094100489 RZGHYENLEPXYRF-ZDUSSCGKSA-N 458.966 5.955 50 10 JKGE Cc1nn(-c2ccccc2)c(N(CCN(C)Cc2ccccc2)Cc2ccccc2)c1CCl 2095882312 BLPZXFAKJBKKOM-UHFFFAOYSA-N 459.037 6.058 50 10 JKGE Cc1cc(Br)sc1CN(C)c1cccc(Br)c1CBr 2100770733 RIEIKBCSFWSWNV-UHFFFAOYSA-N 468.052 6.113 50 10 JKGE Cc1ccc([C@H](Br)c2c(Br)sc(C)c2C)c(C)c1Br 2101012466 RMTLYBIKPWXVHQ-AWEZNQCLSA-N 467.064 6.991 50 10 JKGE C[C@H](CCCCCBr)NC(=O)c1cc(Br)cc(Br)c1 2117891878 BICSDTGVPNMJIV-SNVBAGLBSA-N 456.016 5.285 50 10 JKGE Clc1cc(CBr)ccc1OCc1cc(Br)ccc1Br 2118518865 DEVWIKZZHNRNHY-UHFFFAOYSA-N 469.398 6.339 50 10 JKGE Cc1c(Br)ccc([C@H](Br)[C@H]2CC23CCCCC3)c1Br 2138874930 ZZXPHIOTOHIBMA-DOMZBBRYSA-N 451.040 6.926 50 10 JKGE Cc1cc([C@@H](Cl)[C@@H](C)c2ccncc2Br)ccc1I 2142105351 COBMCYJDOVOJCM-BONVTDFDSA-N 450.545 5.841 50 10 JKGE COc1cc(F)c([C@H](Br)Cc2ccccc2I)c(F)c1 2143867766 GXQOGLSCYDXAMY-LLVKDONJSA-N 453.064 5.257 50 10 JKGE Fc1cccc(C[C@H](CBr)Cc2ccc(Br)cc2Br)c1 2148679783 AGKNZHNKHDZYIO-LBPRGKRZSA-N 464.998 6.147 50 10 JKGE Cc1cc(C)c(S(=O)(=O)N(Cc2ccccc2)Cc2cccs2)cc1CBr 2179860262 PHMATTWAJFPFNF-UHFFFAOYSA-N 464.450 5.651 50 10 JKGE BrCc1cc(Br)c(OCc2nnc(C3CC3)s2)c(Br)c1 2186518971 GPLAXZJQGLGONZ-UHFFFAOYSA-N 483.023 5.414 50 10 JKGE CC(C)(C)[C@@H]1C[C@H](CCl)CN(c2ncc(I)cc2Br)C1 2189899179 ATZHLHUMIHAPRI-GHMZBOCLSA-N 471.608 5.176 50 10 JKGE COc1c(Br)cc(C)cc1[C@H](Br)c1ccc(C)c(Br)c1 2203830256 NYBPSJSIEUNIRU-OAHLLOKOSA-N 463.007 6.321 50 10 JKGE Cl[C@@H](c1ccc(I)c(Br)c1)c1ccc(-c2cccs2)s1 2205856719 BEVRWSQKSXVXEZ-HNNXBMFYSA-N 495.632 7.172 50 10 JKGE COc1c(C)cc(Br)cc1[C@H](Cl)c1c(Br)cccc1Br 2206597540 DYQUTIQWUPVAFQ-AWEZNQCLSA-N 483.425 6.619 50 10 JKGE CO[C@@H]1C[C@H](Cl)C[C@@H]1c1sc(Br)c(Br)c1Br 2212199255 AOKGWIFLHDFHLF-NGJCXOISSA-N 453.421 5.535 50 10 JKGE CC1(C)CC(c2sc(Br)c(Br)c2Br)=C[C@@H](Cl)C1 2216419441 KVSPKRFOFCLIJL-SSDOTTSWSA-N 463.460 6.846 50 10 JKGE CCn1cc(Br)c([C@@H](Br)c2sc(Br)c(C)c2C)n1 2218792085 VSLBYTFUMFFQCT-SECBINFHSA-N 457.029 5.591 50 10 JKGE Cc1sc(Br)c(C)c1[C@H](Cl)c1ccc(Br)cc1Br 2218804963 GFFHGXSNNWPGNX-GFCCVEGCSA-N 473.455 6.981 50 10 JKGE Brc1ccc([C@H](Br)C2C[C@H]3CCC[C@H](C2)C3)c(Br)c1 2225306560 TZQJYVOCVLBAEK-XMZIXOGTSA-N 451.040 6.864 50 10 JKGE Fc1cc(Br)c(Br)cc1[C@H](Br)C[C@@H]1CCC[C@@H]2C[C@@H]12 2225619991 PMBUCYILNOOUPM-DTHBNOIPSA-N 455.003 6.613 50 10 JKGE COc1cc(F)cc([C@@H](Br)c2c(Br)sc(Br)c2Cl)c1 2226031629 AVTNJGSFUXAXAY-SECBINFHSA-N 493.417 6.559 50 10 JKGE COc1cc(Br)c([C@H](Br)c2nc(C)sc2Br)cc1C 2227724839 ZFAZAAJKUAASQI-NSHDSACASA-N 470.024 5.778 50 10 JKGE COc1ccc([C@H](Br)c2sc(C)c(C)c2Br)cc1Br 2229320780 XYKQKRPPSJIKBS-ZDUSSCGKSA-N 469.036 6.383 50 10 JKGE Fc1ccc(Cl)c([C@H](Br)c2c(Br)cc(Cl)c(Cl)c2Cl)c1 2232509264 BZUWHTQCUVISCR-NSHDSACASA-N 481.801 7.686 50 10 JKGE CN(Cc1ccccc1)C(C)(C)Cn1c(CCCl)nc2c(F)cc(Br)cc21 2232924008 QGNNBNMGGZVTFF-UHFFFAOYSA-N 452.799 5.630 50 10 JKGE CCOc1ccc([C@H](Br)c2sc(C)c(C)c2Br)cc1Br 2237630385 VDDQPXUDKNAAOP-AWEZNQCLSA-N 483.063 6.773 50 10 JKGE Cc1ccc([C@@H](Br)c2cc(Br)c(Br)cc2F)c(F)c1F 2239865998 VDMQIEJKDXJYFX-GFCCVEGCSA-N 472.924 6.422 50 10 JKGE COc1ccc([C@@H](Br)C(C)(C)CC(F)(F)F)cc1I 2269547453 UMASWQQQLFKHMO-LLVKDONJSA-N 451.064 5.714 50 10 JKGE Clc1cccc([C@@H](Cl)Cc2cc(Br)cc(Br)c2)c1Br 2277955283 JGORNWJFPKBQEC-ZDUSSCGKSA-N 487.844 7.150 50 10 JKGE Fc1cc(Cl)ccc1[C@H](Br)Cc1cc(Br)cc(Br)c1 2277960800 LVWCGBIWVIDXFF-CYBMUJFWSA-N 471.389 6.683 50 10 JKGE Clc1ccc([C@H](Cl)c2cc(Br)cc3c2OCC3)cc1I 2283575032 SDZZCMIIWPPYCH-AWEZNQCLSA-N 483.958 5.970 50 10 JKGE COc1ccc([C@@H](Br)C2(C)CCCCCCC2)cc1I 2285000037 ALEHQMXAMDHYRS-MRXNPFEDSA-N 451.186 6.486 50 10 JKGE Brc1cccc(CN2CCC3(CC[C@@H](Br)C3)CC2)c1Br 2288058379 HWWYIICSXGCXCA-CYBMUJFWSA-N 466.055 5.741 50 10 JKGE COc1cc(C=C(C#N)C(=O)Nc2ccc(Cl)cc2Cl)ccc1OCc1ccc(C(=O)O)cc1 2294175309 ZUZKMYYVOSIVNG-UHFFFAOYSA-N 497.334 5.825 50 10 JKGE COc1cc(C=C(C#N)c2nc(-c3cccc([N+](=O)[O-])c3)cs2)ccc1OCc1ccccc1 2296049238 PBGWGANVKIRAQJ-UHFFFAOYSA-N 469.522 6.370 50 10 JKGE CCOC(=O)c1ccc(-c2ccc(C=C(C#N)C(=O)Nc3cc([N+](=O)[O-])ccc3Cl)o2)cc1 2297306944 FEDHXSXZRBVLHJ-UHFFFAOYSA-N 465.849 5.231 50 10 JKGE N#CC(=Cc1ccccc1)C(=O)O[C@@H](C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)c1ccccc1 2297411085 YOQVTGWUYFVEOV-JOCHJYFZSA-N 461.861 5.078 50 10 JKGE O=C(NN=Cc1ccc(Cl)cc1Cl)C(=Cc1cccs1)NC(=O)c1ccccc1Cl 2297450784 BOFZRIYDVPCKCS-UHFFFAOYSA-N 478.788 5.630 50 10 JKGE COc1cc(C=C(C#N)c2nc(-c3ccc(-c4ccccc4)cc3)cs2)cc(Br)c1O 2297477517 ZJGXOJRLLFKCCH-UHFFFAOYSA-N 489.394 7.018 50 10 JKGE COc1cc(C=C(C#N)C(=O)Nc2nc3ccccc3s2)cc(Cl)c1OCc1ccccc1C 2297500324 AJLIQBXWQGQOJU-UHFFFAOYSA-N 489.984 6.391 50 10 JKGE N#CC(=Cc1cccc(Oc2ccccc2)c1)C(=O)Nc1ccc([N+](=O)[O-])cc1C(F)(F)F 2297551545 QOLUPOLFMGARKZ-UHFFFAOYSA-N 453.376 5.952 50 10 JKGE C[C@@H]1CC[C@@H](C[C@H](Br)c2ccc(OCc3ccccc3)cc2Br)O1 2299487949 BKOIMSDPDNBTHP-LIVBEALHSA-N 454.202 6.422 50 10 JKGE CN(CCN(Cc1ccccc1)c1c(CCl)c(C(F)(F)F)nn1C)Cc1ccccc1 2301550366 XZPYZCSMHJSCJD-UHFFFAOYSA-N 450.936 5.316 50 10 JKGE Cc1c(Br)c(C=C(C#N)c2cccc(Cl)c2)c(C)n1-c1ccc(Br)cc1 2313556325 VQFVXTJWLOGUQN-UHFFFAOYSA-N 490.626 7.337 50 10 JKGE Brc1cc(OCc2ccccc2)ccc1[C@H](Br)C[C@@H]1CCC12CCC2 2314440713 RQKQHOHRFBRCLS-FXAWDEMLSA-N 464.241 7.435 50 10 JKGE COC1CC(CC[C@H](Br)c2ccc(OCc3ccccc3)cc2Br)C1 2314497048 HGDVKDOGWJXJEG-NLPFYKDJSA-N 468.229 6.669 50 10 JKGE N#CC(=Cc1ccc(-c2ccc(Cl)cc2Cl)o1)C(=O)Nc1cccc(C(F)(F)F)c1 2314571894 OCTKMRSEMQEPKS-UHFFFAOYSA-N 451.231 6.818 50 10 JKGE COc1ccc(CN2C(=O)C(=Cc3ccc(-c4ccc(Cl)cc4)o3)C(C)=C(C#N)C2=O)cc1 2314616971 ODTJTUHYYDTQMI-UHFFFAOYSA-N 458.901 5.401 50 10 JKGE Fc1cscc1[C@@H](Br)c1c(Cl)cc(Br)c(F)c1Br 2315447249 LEURYEJTUCEWHH-SECBINFHSA-N 481.381 6.689 50 10 JKGE Clc1cc(I)c([C@H](Br)[C@]23CCCC[C@H]2OCC3)s1 2316659630 VLBHUUKBLKZBGB-ICCXJUOJSA-N 461.590 5.791 50 10 JKGE CC[C@H](NC=C(C#N)C(=O)Nc1ccc(Cl)c(C(F)(F)F)c1)c1ccc2c(c1)CCCC2 2325382622 GYQAASZAMPGXAT-QFIPXVFZSA-N 461.915 6.324 50 10 JKGE FC(F)(F)[C@H]1C[C@@H]([C@H](Br)c2ccc(OCc3ccccc3)cc2Br)C1 2327681637 RAWZXCWRADGJCL-IYOUNJFTSA-N 478.146 7.053 50 10 JKGE CC[C@H](C)N1C(=O)c2ccc(C(O)=C(C#N)c3nc(-c4ccc(C)cc4C)cs3)cc2C1=O 2331309105 XEUQTGQHHXEADN-INIZCTEOSA-N 457.555 5.771 50 10 JKGE COc1cc(C=CC(O)=C(C#N)c2nc(-c3ccc(Cl)c(Cl)c3)cs2)ccc1OC(C)=O 2331311766 WASVFFQFVMYZPI-UHFFFAOYSA-N 487.364 6.557 50 10 JKGE COc1ccc(OC)c(-c2csc(C(C#N)=C(O)CCCOc3ccc(Cl)cc3)n2)c1 2331325994 MMDYZBYPGVYWIH-UHFFFAOYSA-N 456.951 6.133 50 10 JKGE CC(C)c1csc(C(C#N)=C(O)CCCOc2ccc(C(C)(C)C)cc2Br)n1 2331328906 BAJHNJJXYJVRSG-UHFFFAOYSA-N 463.441 6.978 50 10 JKGE COc1cc(C=CC(O)=C(C#N)c2nc(-c3ccc4c(c3)OCO4)cs2)cc(OC)c1OC 2331333966 RTQROILXIKMPJT-UHFFFAOYSA-N 464.499 5.071 50 10 JKGE N#CC(=C(O)C=Cc1ccc(OCc2ccccc2)cc1)c1nc(-c2ccc(F)c(F)c2)cs1 2331351927 MYMJKHVKRNXIOG-UHFFFAOYSA-N 472.516 7.173 50 10 JKGE CCOc1ccc(OCC)c(-c2csc(C(C#N)=C(O)COc3ccc(C)cc3C(C)(C)C)n2)c1 2331376558 SJRARIVCJHPMBZ-UHFFFAOYSA-N 492.641 7.085 50 10 JKGE COc1cc(OC)c(-c2csc(C(C#N)=C(O)C=Cc3ccc(OC)c(OC)c3)n2)cc1Cl 2331378686 QFSAUIQDTCCDFD-UHFFFAOYSA-N 484.961 6.004 50 10 JKGE CCOc1ccc(-c2csc(C(C#N)=Cc3ccccc3OCc3ccc(Cl)cc3)n2)cc1 2331440914 ARVYIPJHPIICNG-UHFFFAOYSA-N 472.997 7.505 50 10 JKGE Clc1cccc(Cl)c1C[C@H](Cl)c1cc(Br)ccc1OCc1ccccc1 2336056438 ISQSSWCDYWRJDZ-FQEVSTJZSA-N 470.621 7.858 50 10 JKGE Fc1c(Br)cc(Cl)c([C@H](Br)[C@@H]2C[C@@H]3CC[C@H]2C3)c1Br 2337090968 UCTGCTHOXATDKF-BSFVXNEUSA-N 475.421 6.876 50 10 JKGE Cc1cc(Br)c(F)c(Br)c1[C@H](Br)[C@](C)(F)C(C)(C)F 2339655134 CUQRPHWYLTZTET-AAEUAGOBSA-N 466.961 6.571 50 10 JKGE Brc1cccc(Br)c1CO[C@H]1C[C@H](Br)C12CCCC2 2340607325 TZWKXVLXNRNMRU-KBPBESRZSA-N 453.012 5.824 50 10 JKGE Cc1cccc([C@@H](CBr)Cc2ccc(I)c(Br)c2)c1 2349851436 KGFQLRALWFHEBM-CQSZACIVSA-N 494.008 6.083 50 10 JKGE Brc1ccc(OCc2ccccc2)c([C@H](Br)[C@H]2COc3ccccc3O2)c1 2361203222 FDUFYNDCTUOKLN-YADHBBJMSA-N 490.191 6.304 50 10 JKGE FC(F)(F)C12CC([C@@H](Br)c3cc(Br)ccc3Br)(CO1)C2 2363910611 MQTNWAOGCVRUIT-UNXYVOJBSA-N 478.928 5.759 50 10 JKGE CC(C)Cc1ccc([C@H](Br)c2c(Br)c(Br)nn2C)cc1 2364062776 BZLDJQGGAOZWEQ-LBPRGKRZSA-N 465.027 5.628 50 10 JKGE COc1c(Br)cc(C)c([C@H](Br)C[C@@H]2CC[C@@H]3C[C@@H]23)c1Br 2365238237 XCPRQIAJHNYOQV-WRWGMCAJSA-N 467.039 6.401 50 10 JKGE COCc1ccc([C@H](Br)c2c(Br)cc(Cl)c(Cl)c2Cl)s1 2368082571 LZOBOXPOLASNKY-NSHDSACASA-N 479.448 7.102 50 10 JKGE CC(C)(C)OC(=O)N[C@H]1CN(C[C@]2(CBr)CC2(F)F)C2(CCCCCC2)C1 2379983264 CTHVDLAVDGZHMW-CRAIPNDOSA-N 451.396 5.099 50 10 JKGE ClC[C@H](Cc1ccc(Br)cc1)Cc1cc(I)ccc1Cl 2380464470 AVGRHTFJEAVKLT-GFCCVEGCSA-N 484.002 6.347 50 10 JKGE CCCCCCOc1ccc(C(=O)NNC(=O)c2ccc(C(C)(C)C)cc2)cc1Br 14640773 NPCPPHIVYRZDPB-UHFFFAOYSA-N 475.427 5.781 50 10 JKGE Cc1cccc(N/C(SCc2c(F)cccc2Cl)=C(/C#N)S(=O)(=O)c2ccccc2)c1 20325300 SBZXRHCTDUUHEU-GHVJWSGMSA-N 472.994 6.299 50 10 JKGE CC1CCN(c2cc(/C=C(/C#N)c3nn(-c4ccccc4)c(N)c3C#N)c3ccccc3n2)CC1 33403670 OLMVGSHAUMCRDH-QNGOZBTKSA-N 459.557 5.175 50 10 JKGE C/C(=N/NC(=O)c1cccc(S(=O)(=O)Nc2ccc(Cl)cc2)c1)c1ccc(Cl)c(Cl)c1 33497101 DEGYFLBKEMQPNV-MXAYSNPKSA-N 496.803 5.602 50 10 JKGE CCCCOc1ccc(-c2nn(-c3ccccc3)cc2/C=C(\C#N)c2nc(O)c3ccccc3n2)cc1 34983897 UCTXXECWQYHBHF-RELWKKBWSA-N 487.563 6.431 50 10 JKGE CCCCCCOc1ccc(/C=C2/C(=O)N(Cc3ccccc3)C(=O)C(C#N)=C2C)cc1OC 38605958 CJASTKHDTBQMKR-XQNSMLJCSA-N 458.558 5.447 50 10 JKGE COc1ccc(C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@@H]3c2cccc(Oc3ccccc3)c2)cc1 38660758 CGLRGPGEAHWEEN-MUUNZHRXSA-N 490.515 5.925 50 10 JKGE CCc1ccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)COc4cc(C)c(Cl)c(C)c4)ccc32)cc1 38677367 HQKFZDSJDSYPHB-AREMUKBSSA-N 488.971 5.722 50 10 JKGE C=CCOc1cccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4ccccc4OCC)ccc32)c1 38684609 VTVZTVKBRSBBTF-AREMUKBSSA-N 468.509 5.087 50 10 JKGE Cc1ccccc1NC(=O)c1oc2c(c1C)/C(=N/NC(=O)c1ccc(Br)cc1)CCC2 40811797 KOOCGJROXBAEIF-ZXVVBBHZSA-N 480.362 5.382 50 10 JKGE CCCCCCOc1ccc(/C=N/NC(=O)COc2ccc(C(C)(C)c3ccccc3)cc2)cc1 40912120 OTBJLIOWZXDDBJ-DFKUXCBWSA-N 472.629 6.501 50 10 JKGE Cc1cc(/C=N/NC(=O)c2cc3ccccc3o2)c(C)n1-c1ccc(OCc2ccccc2Cl)cc1 59304042 ZSLCPQCKCRYIME-KBVAKVRCSA-N 497.982 6.837 50 10 JKGE CCCOc1ccc(/C=C(/C#N)C(=O)Nc2nc(-c3ccc(Cl)cc3Cl)cs2)cc1 98026966 LQFAHLGDRYFVMX-GDNBJRDFSA-N 458.370 6.451 50 10 JKGE N#C/C(=C(/O)c1ccccc1C[C@@H](Cl)C#N)c1nc(-c2ccc(Br)cc2)cs1 100990222 FHJPQXVTLGQLTK-OSCRUYLVSA-N 470.779 6.196 50 10 JKGE CCOc1ccccc1[C@H](Br)c1cc(Br)sc1Br 109870200 ZAMJXJWEHFYOLV-LBPRGKRZSA-N 455.009 6.156 50 10 JKGE COc1c(C)cc(Br)c(C)c1[C@H](Br)c1cc(Br)ccc1Cl 125746825 BAVKITSYZQRLPV-OAHLLOKOSA-N 497.452 6.975 50 10 JKGE CCCCCOc1ccc(/C=C2\C(=O)N([C@H](C)c3ccccc3)C(=O)C(C#N)=C2C)cc1OC 214342130 RQJNRTDZSKOYMM-AOMYKUFJSA-N 458.558 5.618 50 10 JKGE COc1cc(F)c(Br)cc1[C@@H](Br)c1csc(Br)c1 234868295 IDKTVSOPFVFQFT-LBPRGKRZSA-N 458.972 5.905 50 10 JKGE Cc1ccc([C@H](Br)c2cc(Br)c(C)cc2Br)c(Cl)c1 235908752 MHWSTTQNMVPPQW-HNNXBMFYSA-N 467.426 6.966 50 10 JKGE CCOc1cccc(-c2cc(C(=O)NN=Cc3ccc(OC)c(OC)c3OC)c3ccccc3n2)c1 252637596 XUDGSNQUAZOEEW-UHFFFAOYSA-N 485.540 5.090 50 10 JKGE Cc1c(C=NNC(=O)COc2ccc(-c3ccccc3)cc2)c2ccccc2n1Cc1ccccc1 254814352 AFHFCVOLKUWNEK-UHFFFAOYSA-N 473.576 6.194 50 10 JKGE O=C1Cc2cc([C@@H](Br)c3sccc3Br)c(Br)cc2N1 305944315 BTQHRNIYBSUAIR-GFCCVEGCSA-N 465.992 5.252 50 10 JKGE C[C@@]1(Cn2c(CCl)nc3cc(F)c(Br)cc32)CCCN1Cc1ccccc1 398086566 VGQCQCATNBFWLZ-NRFANRHFSA-N 450.783 5.731 50 10 JKGE Cc1cc(Br)c([C@H](Cl)c2ccsc2Br)cc1Br 698694217 PHDNERNBIWPYFK-LLVKDONJSA-N 459.428 6.672 50 10 JKGE ClCc1nc2cccc(Cl)c2n1CC1(N(Cc2ccccc2)Cc2ccccc2)COC1 705868487 AJTQYBMNYZUNLW-UHFFFAOYSA-N 466.412 5.900 50 10 JKGE CN(C[C@H]1CCCN(Cc2ccccc2)C1)c1ccc(CBr)c(Br)c1 720016383 JECVPSGEFOBCEQ-GOSISDBHSA-N 466.261 5.692 50 10 JKGE Cc1ccccc1CSCC(=O)NN=Cc1cc(C)n(-c2cc(Cl)ccc2Cl)c1C 1084057057 LICUDVAHVBIWJY-UHFFFAOYSA-N 460.430 6.093 50 10 JKGE O=C(CCCNc1ccc(Br)cc1)NN=Cc1ccc(OCc2ccccc2)cc1 1084252540 PQDHMWKZJLRHPC-UHFFFAOYSA-N 466.379 5.371 50 10 JKGE CCOc1ccc(C(=O)NN=Cc2cc(Cl)c(OCc3ccc(Cl)cc3)c(OCC)c2)cc1 1084273332 IDXMGODUXJBEAI-UHFFFAOYSA-N 487.383 6.134 50 10 JKGE CC(=O)c1cccc(-c2ccc(C=NNC(=O)c3ccc(-n4c(C)ccc4-c4ccccc4)cc3)o2)c1 1084414891 HILNWIGGSDKNQD-UHFFFAOYSA-N 487.559 6.679 50 10 JKGE CC(C)N(C)c1cc(Cl)cc(C(=O)N(NC(=O)Nc2ccc(F)cc2F)C(C)(C)C)c1 1088694399 VIHVZZMKAOULSH-UHFFFAOYSA-N 452.933 5.440 50 10 JKGE C[C@@H](Oc1cccnc1NC(=O)Oc1ccc([N+](=O)[O-])cc1)C(=O)Nc1cc(Cl)cc(Cl)c1 1858688447 YTZBMRVMUKFWTJ-GFCCVEGCSA-N 491.287 5.314 50 10 JKGE COc1ccc(-c2nn(-c3ccccn3)c3c2[C@H](c2ccc(Cl)cc2Cl)C(C#N)=C(N)O3)cc1 1865685390 HYVZOGHJXPXBMS-OAQYLSRUSA-N 490.350 5.468 50 10 JKGE N#CC1=C(N)Oc2c(c(-c3ccccc3)nn2-c2ccc(Cl)cc2)[C@@H]1c1ccc2c(c1)OCCO2 1865698430 TUTTUJKYABTVPU-HSZRJFAPSA-N 482.927 5.182 50 10 JKGE N#CC1=C(N)Oc2c(c(C(F)(F)F)nn2Cc2ccc(Cl)cc2)[C@@H]1c1ccc(F)cc1F 1865701845 GPRAJXUEEPFGEX-MRXNPFEDSA-N 466.797 5.100 50 10 JKGE C[C@H]1c2[nH]cnc2CCN1c1cc(Nc2ccc(SC#N)cc2)nc(-c2ccc(Cl)cc2)n1 1868433098 DOCTWYVAALYFHH-HNNXBMFYSA-N 473.993 5.961 50 10 JKGE COc1ccc(/C=C2\Oc3cc(OCc4ccc(CCl)cc4)ccc3C2=O)c(OC)c1OC 1871437184 ZVZJNSXSTXOTSH-FMCGGJTJSA-N 466.917 5.646 50 10 JKGE CC(C)c1ccccc1O[C@H](C)/C(O)=C(\C#N)c1nc(-c2ccc(Cl)cc2Cl)cs1 1872745221 YHXBSLNTTUTQFW-FSXJBPCSSA-N 459.398 7.500 50 10 JKGE COc1c(Cl)cc(Cl)cc1-c1csc(/C(C#N)=C(\O)Cc2c[nH]c3ccccc23)n1 1872754401 QZIDWBPDVMFEJI-SILNSSARSA-N 456.354 6.642 50 10 JKGE COc1c(C)cc(Cl)cc1-c1csc(/C(C#N)=C(O)/C=C/c2ccc(Cl)cc2Cl)n1 1872756855 DQAHHKSGDWUSIQ-WEVSROCNSA-N 477.800 7.593 50 10 JKGE CCOc1cc(/C=C(\C#N)c2nc(-c3ccc([N+](=O)[O-])cc3)cs2)ccc1OCc1ccccc1 1872784070 ATEOLXFMHPXSNV-HYARGMPZSA-N 483.549 6.760 50 10 JKGE COc1cc(OC)c(OC)cc1/C=C(\C#N)c1nc(-c2ccc(OC)c3ccccc23)cs1 1872795312 YPWWAXQRENBMSC-GZTJUZNOSA-N 458.539 6.062 50 10 JKGE FC(F)[C@@H]1C[C@@H]1[C@H](Cl)c1c(Br)sc(Br)c1Br 1894331551 KSFSMHGTNLJPII-VPGXFDHMSA-N 459.375 6.217 50 10 JKGE Cc1cccc(Br)c1C(=O)N(Cc1ccccc1)C1(CBr)CCC1 1915756513 JYJJLPZNNFHMQB-UHFFFAOYSA-N 451.202 5.718 50 10 JKGE Cc1c(Br)cccc1C(=O)N(Cc1ccccc1)C1(CBr)CCC1 1915756542 KDAKVGGSXPEXPY-UHFFFAOYSA-N 451.202 5.718 50 10 JKGE Clc1c(Br)sc(Br)c1[C@@H](Br)C[C@@H]1C[C@H]2CC[C@H]1C2 1923037942 HBJPYQBHOFJEBI-JBDRJPRFSA-N 477.487 7.189 50 10 JKGE C[C@@H]1CC[C@H]([C@@H](Br)c2c(Br)sc(Br)c2Cl)C1 1923070433 AKDFMOPIKXSTJM-GKROBHDKSA-N 451.449 6.799 50 10 JKGE Clc1cc(Br)ccc1[C@@H](Br)Cc1ccncc1Br 1924053274 SAMBGHSGKOCHOI-NSHDSACASA-N 454.387 5.939 50 10 JKGE Cl[C@@H](c1ccc2c(c1)COC2)c1c(Br)sc(Br)c1Br 1924595551 AVEKFXVXSUFHCL-NSHDSACASA-N 487.438 6.394 50 10 JKGE Cn1ncc([C@@H](Br)c2c(Cl)sc(Br)c2Cl)c1Br 1925593234 HRRBFPLGGNODSF-RXMQYKEDSA-N 483.838 5.798 50 10 JKGE Clc1sc(Br)c(Cl)c1[C@@H](Br)c1cc(Br)cs1 1981401676 MQQCAPKNUSQHGD-LURJTMIESA-N 485.875 7.126 50 10 JKGE Fc1cc(Cl)c(Br)cc1[C@H](Br)c1cc(Br)sn1 2007643761 LBPCEMROWIBYEQ-JTQLQIEISA-N 464.379 5.945 50 10 JKGE CC1(C)[C@H]2CC[C@@H](C2)[C@H]1[C@H](Br)c1cc(Br)sc1Br 2029601249 UNOUTBFULGUVRW-RJVLYZLMSA-N 457.069 6.781 50 10 JKGE CCC(CC)N(CCBr)C(=O)c1csc(Br)c1Br 2032953277 GLEZANJQOGVCEV-UHFFFAOYSA-N 462.045 5.299 50 10 JKGE CCN(C[C@@](C)(CI)OCc1ccc(C)c(C)c1)C(=O)OC(C)(C)C 2083842909 GNPGETLFJRTLER-HXUWFJFHSA-N 461.384 5.271 50 10 JKGE COc1ccc([C@H](Cl)c2c(Br)cccc2Br)cc1Br 2094089893 BEQAMRCWOMGXDY-AWEZNQCLSA-N 469.398 6.311 50 10 JKGE Cl[C@@H](c1cc(C2CC2)c(Br)s1)c1cc(Br)ccc1Br 2094672931 FKJGEFZRKMBVBI-CYBMUJFWSA-N 485.466 7.241 50 10 JKGE C[C@H](c1ccncc1Br)[C@@H](Br)c1c(Cl)cccc1Br 2113162426 HZMZKXBLLRJVLZ-XLKFXECMSA-N 468.414 6.500 50 10 JKGE C[C@H](c1cccs1)N(Cc1ccccc1)S(=O)(=O)C1CCC(CBr)CC1 2123253869 GDLIJHRJVQHGTP-LRYGQEGESA-N 456.471 5.595 50 10 JKGE Cn1ncc([C@@H](Br)c2c(Br)cc(F)c(Cl)c2F)c1Br 2136959031 OSARBCOJHMVGBG-MRVPVSSYSA-N 479.344 5.361 50 10 JKGE Cc1c(Br)ccc([C@@H](Br)C[C@H](C)CC(C)(C)C)c1Br 2138854660 UOFCREBXZJOZLN-HZMBPMFUSA-N 455.072 7.418 50 10 JKGE FC1(F)CC[C@@H](COc2c(Br)cc(Br)cc2CBr)OC1 2145051494 LNLNRXABXFHNAX-JTQLQIEISA-N 478.953 5.300 50 10 JKGE CN(Cc1cncc(Br)c1)c1c(CBr)ccc(Br)c1Cl 2154366579 YUIUGVFWZHPNEE-UHFFFAOYSA-N 483.429 5.791 50 10 JKGE CC(C)(CBr)[C@H]1CCCN1C(=O)c1cc(Br)ccc1Br 2155822586 CZFCFARSGBTCCP-CYBMUJFWSA-N 468.027 5.237 50 10 JKGE FC(F)(F)[C@@H]1CN(Cc2cccc(Br)c2Br)C[C@H]1CBr 2163286612 REYOFXJVBZFORL-NXEZZACHSA-N 479.960 5.217 50 10 JKGE O=C(NC[C@@H]1CCCC[C@H](Br)C1)c1cc(Br)cc(Br)c1 2163745048 DHAFIMIZJQUBSG-PWSUYJOCSA-N 468.027 5.285 50 10 JKGE BrC[C@@]12CCC[C@H]1N(Cc1c(Br)cccc1Br)CCC2 2165245556 UXOJSEQNGFCDBP-CVEARBPZSA-N 466.055 5.741 50 10 JKGE BrCc1cc(Br)c(OC[C@H]2[C@H]3CCCCC[C@H]32)c(Br)c1 2167300980 YECASZQUOPVOBY-CLLJXQQHSA-N 467.039 6.312 50 10 JKGE CC1(C)CCC[C@]12[C@@H](Br)C[C@H]2Oc1ccc(Br)cc1Br 2173666093 MJSBDECGAAPCBY-SQWLQELKSA-N 467.039 6.323 50 10 JKGE CCc1cc([C@@H](Cl)c2ccc(I)c(Br)c2)c(F)cc1F 2175372735 BZEVZDNNFIGOLA-HNNXBMFYSA-N 471.510 6.223 50 10 JKGE CCC(CC)(CBr)CN1CCN(C(=O)OC(C)(C)C)[C@@H](C)C[C@@H]1C(F)(F)F 2178262880 GHGMFDLJYBNIBA-LSDHHAIUSA-N 459.391 5.450 50 10 JKGE C[C@@H](c1cccs1)N(Cc1ccccc1)S(=O)(=O)c1ccc(CBr)cc1Cl 2179791325 PVUJTJXZHLUFOK-HNNXBMFYSA-N 484.868 6.249 50 10 JKGE COc1cc(C)c([C@H](Br)c2cc(Br)ccc2Cl)cc1Br 2198736852 JAGZHGJWHFPZFL-HNNXBMFYSA-N 483.425 6.666 50 10 JKGE COc1cccc([C@@H](Br)c2c(C)c(Br)cc(C)c2Br)c1 2201070813 CNHBLTUVPSTPBW-MRXNPFEDSA-N 463.007 6.321 50 10 JKGE CC[C@@H]1CC[C@H](CC(CBr)(CBr)c2ccccc2Br)O1 2201413899 SDHPOTBYLMZIDU-CHWSQXEVSA-N 469.055 5.824 50 10 JKGE COc1ccc([C@@H](Br)c2cc(Br)c(Cl)cc2C)cc1Br 2202353794 UMIBYUBMWHBBFQ-OAHLLOKOSA-N 483.425 6.666 50 10 JKGE Cc1ccc(I)c([C@H](Br)c2sc(C)cc2Br)c1 2217421326 UHXSYJPVDCDMAD-LBPRGKRZSA-N 486.010 6.216 50 10 JKGE CCc1cc(Br)c([C@H](Br)c2sc(C)c(Br)c2C)s1 2218964232 GDVAZTAIFMRWOE-LLVKDONJSA-N 473.093 6.998 50 10 JKGE Cc1cc(Br)c([C@H](Br)[C@H](C)C(F)(F)F)c(C)c1Br 2220143201 CSQNFVUYJZNAKX-WRWORJQWSA-N 452.934 6.463 50 10 JKGE CC(C)(C)N1C[C@@H](c2sc(Br)c(Br)c2Br)[C@@H](Cl)C1 2222475138 ZOVGUIRRSHTAKJ-RQJHMYQMSA-N 480.491 5.841 50 10 JKGE CN(CCCn1c(CCCl)nc2cc(Br)c(Br)cc21)Cc1ccccc1 2225693568 KSTMLAORDBWMHC-UHFFFAOYSA-N 499.678 5.865 50 10 JKGE C[C@H](Cl)c1nc2cc(Br)c(Br)cc2n1[C@H]1C[C@@H](Br)C1 2225697707 SQMHWAXZYGBSPM-BIIVOSGPSA-N 471.418 5.960 50 10 JKGE Cc1c(Br)ccc([C@H](Br)[C@H]2CCCC(C)(C)O2)c1Br 2226847804 DDQMHOXBTHHKNU-OCCSQVGLSA-N 455.028 6.304 50 10 JKGE Cc1cc(Br)c([C@@H](Br)C2(C(C)C)CCC2)c(C)c1Br 2227352288 BWPJXSCXKDZOJY-OAHLLOKOSA-N 453.056 7.091 50 10 JKGE COc1cc(Br)c([C@@H](Cl)c2ccccc2I)cc1C 2227731199 MXWQLGAOLKYHRN-HNNXBMFYSA-N 451.529 5.699 50 10 JKGE Clc1cc(Br)c([C@H](Br)C2(CC3CCC3)CC2)c(Cl)c1Cl 2232517804 WMPSXFKJOUVSCW-AWEZNQCLSA-N 461.452 7.816 50 10 JKGE FC1(F)[C@H]2CCC[C@H]1CC([C@H](Br)c1cc(Br)c(Br)s1)C2 2233643169 UPAJFMMYSLGSIJ-AUTRQRHGSA-N 493.049 7.171 50 10 JKGE CC[C@@H](Br)CN(Cc1ccccc1)C(=O)c1cc(F)c(Br)cc1F 2247858796 HNNBPZWVXLPXQC-CYBMUJFWSA-N 461.144 5.543 50 10 JKGE Fc1cc(Br)c(Br)cc1[C@H](Br)c1cc(Br)co1 2249430624 KWZXORPMJGXBHP-NSHDSACASA-N 491.774 6.191 50 10 JKGE COCc1cc(Br)c([C@@H](Br)c2cccc(Cl)c2Br)s1 2267983110 HDELNLVDONYVMA-LBPRGKRZSA-N 489.454 6.557 50 10 JKGE COc1ccc([C@H](Cl)c2sc(C)c(C)c2Br)cc1I 2269556247 MMWOBEXIQJDPNP-ZDUSSCGKSA-N 471.585 6.069 50 10 JKGE COc1c(Br)cc(Cl)cc1[C@H](Br)c1cc(Br)c(C)s1 2277890028 SFTDCFAHHKJYPH-LBPRGKRZSA-N 489.454 6.728 50 10 JKGE Clc1cc(Cl)cc([C@@H](Br)c2cc3sc(Br)cc3s2)c1 2278017090 CUODNRPFWFBADK-CYBMUJFWSA-N 457.039 7.516 50 10 JKGE Clc1cccc([C@@H](Br)c2cc(Br)c3c(c2)CCO3)c1Br 2283189718 ULCKHABBXOOLHO-ZDUSSCGKSA-N 481.409 6.284 50 10 JKGE Cc1cc(Cl)c(Cl)cc1[C@H](Br)c1cc(Br)c(F)cc1Cl 2285987401 JCVJHQRJLBLKCO-AWEZNQCLSA-N 461.383 7.341 50 10 JKGE COc1cc(C)c([C@@H](Br)c2cc(Br)c(Br)s2)c(OC)c1 2287196739 VBMBNELBUBBWEW-ZDUSSCGKSA-N 485.035 6.083 50 10 JKGE C[C@H]1C[C@H](C(F)(F)F)N(CCCCCCCBr)CCN1C(=O)OC(C)(C)C 2294697538 SBWNIEKDRPXZKE-JKSUJKDBSA-N 459.391 5.594 50 10 JKGE O=C(CSc1nc2ccccc2n1Cc1ccccc1Cl)NN=CC=Cc1ccccc1 2297304084 XXNUMWALACSJIR-UHFFFAOYSA-N 460.990 5.646 50 10 JKGE Cc1ccc(C)c(NC(SCc2ccc(Cl)cc2)=C(C#N)S(=O)(=O)c2ccccc2)c1 2297350161 FTKLMBKLNLTVHC-UHFFFAOYSA-N 469.031 6.469 50 10 JKGE CCOC(=O)c1c(NC=C(C#N)c2nc(-c3ccc(CC)cc3)cs2)sc(C(C)=O)c1C 2297466890 VAIXMTWEDMESFD-UHFFFAOYSA-N 465.600 6.098 50 10 JKGE Cc1cc(NS(=O)(=O)c2ccc(NC=C(C#N)c3nc(-c4ccc(Cl)cc4)cs3)cc2)no1 2297482022 NEMVKWXZCCEJLP-UHFFFAOYSA-N 497.989 5.537 50 10 JKGE Brc1cc(OCc2ccccc2)ccc1[C@H](Br)[C@@H]1CC[C@H]2C[C@H]2C1 2299505451 WZPIXJDMMSXCQK-GRXQJBFDSA-N 450.214 6.900 50 10 JKGE CC[C@@H]([C@@H](Br)c1ccc(OCc2ccccc2)cc1Br)C(C)(F)F 2299529681 FDSCTOLOBKYCQL-WMZOPIPTSA-N 462.172 7.146 50 10 JKGE Cc1c(Cl)sc(Cl)c1[C@H](Br)c1ccc(I)cc1 2299542884 NNNABTFYRNCSPL-SNVBAGLBSA-N 461.977 6.452 50 10 JKGE CCOc1cc(C=C(C#N)C(=O)Nc2cc(C)ccc2C)ccc1OCc1cccc(Cl)c1 2313667735 UIYRDGKWWPVHGI-UHFFFAOYSA-N 460.961 6.480 50 10 JKGE Fc1cc(F)cc([C@@H](Br)c2ccc(OCc3ccccc3)cc2Br)c1 2314447803 BUFLRIAEJQTGMG-HXUWFJFHSA-N 468.135 6.791 50 10 JKGE Clc1ccc(Cl)c([C@@H](Cl)c2ccc(OCc3ccccc3)cc2Br)c1 2314451764 HQQJABJRLFTFCF-FQEVSTJZSA-N 456.594 7.663 50 10 JKGE FC1(F)[C@@H]2CC[C@H]([C@H](Br)c3cc(Br)ccc3OCc3ccccc3)[C@@H]21 2314454594 HMTMXXWTKNQXBM-FXECBMLZSA-N 472.167 6.755 50 10 JKGE CCc1ccc(N2C(=O)[C@H](Cc3ccc(F)cc3)SC2=C(C#N)C(=O)Nc2ccc(C)cc2)cc1 2314592669 ZWCJCOXUBQNSJA-VWLOTQADSA-N 485.584 5.762 50 10 JKGE CC1=C(C#N)C(=O)N(C(C)C)C(=O)C1=Cc1cn(-c2ccccc2)nc1-c1cc2ccccc2o1 2314610349 GIUPTOYJRZYKIV-UHFFFAOYSA-N 462.509 5.286 50 10 JKGE CCCCCN1C(=O)C(=Cc2ccc(OCc3ccc(Cl)cc3Cl)cc2)C(C)=C(C#N)C1=O 2314611073 PTYQOOOGMVMHEC-UHFFFAOYSA-N 483.395 6.355 50 10 JKGE CC12CC(C1)[C@@H]([C@@H](Br)c1cc(Br)ccc1OCc1ccccc1)CO2 2315917302 FLHLOWYVDQWICE-XDPAUIEISA-N 466.213 6.279 50 10 JKGE CCCc1sc(Br)cc1[C@H](Cl)c1csc(Br)c1Br 2316178162 MAPHFROOYVERFV-NSHDSACASA-N 493.511 7.378 50 10 JKGE Fc1ccc(F)c([C@H](Br)c2sc(Cl)cc2I)c1F 2316658034 DZZFGISKXMIFGU-VIFPVBQESA-N 467.475 5.908 50 10 JKGE CSCC[C@H](C(O)=C(C#N)c1nc(-c2ccc(C)cc2)cs1)N1C(=O)c2ccccc2C1=O 2331313407 JSEDVDFKTLQCIS-OAQYLSRUSA-N 475.595 5.329 50 10 JKGE COc1ccc(C(C)(C)C)cc1-c1csc(C(C#N)=C(O)COc2ccc(Cl)cc2Cl)n1 2331350589 DLTFEAQZXCDMLA-UHFFFAOYSA-N 489.424 7.295 50 10 JKGE COc1cc(C)c(-c2csc(C(C#N)=C(O)COc3ccc(Cl)c(C)c3)n2)cc1C(C)C 2331353851 CXQXMHMVCGTBMO-UHFFFAOYSA-N 469.006 7.084 50 10 JKGE COc1c(Cl)cc(Cl)cc1-c1csc(C(C#N)=C(O)C=Cc2ccc(Cl)cc2)n1 2331362849 VIZFXXNJQBVJOC-UHFFFAOYSA-N 463.773 7.285 50 10 JKGE COc1ccc(Cl)cc1N1C[C@H](C(O)=C(C#N)c2nc(-c3ccc(C)c(C)c3)cs2)CC1=O 2331382569 HEFHKFURIKAAKH-QGZVFWFLSA-N 479.989 5.935 50 10 JKGE Cn1nc(Br)c([C@H](Br)c2c(F)cc(Cl)c(Br)c2Cl)n1 2335301860 KUPQGQAUDIZVJO-SSDOTTSWSA-N 496.787 5.270 50 10 JKGE Cc1ccc([C@@H](C)[C@H](Br)c2ccc(OCc3ccccc3)cc2Br)cc1 2336044633 PNAOMEYQICLHCC-HXOBKFHXSA-N 474.236 7.576 50 10 JKGE Fc1c(Br)cc(Cl)c([C@H](Br)C[C@H]2CCC2(F)F)c1Br 2337089506 ZZNQGJWMNQPJPQ-PHDIDXHHSA-N 485.363 6.876 50 10 JKGE Cn1cc([C@H](Cl)c2c(Cl)cc(Br)c(F)c2Br)nc1Br 2337093494 FTOCLZCLOHGKFO-VIFPVBQESA-N 495.799 5.828 50 10 JKGE C[C@@H](CBr)[C@H]1CCCCN1Cc1ccc(Cl)c(I)c1 2337224053 URIFFSGXCPVGFO-XHDPSFHLSA-N 456.593 5.330 50 10 JKGE Clc1ccc(CN2[C@H](CBr)C[C@H]3CCC[C@H]32)c(I)c1 2341011364 SCXKTBOTTSIRQQ-RIEGTJTDSA-N 454.577 5.083 50 10 JKGE CC(C)(C)[C@@H]1CC[C@@H]1[C@H](Br)c1cc(Br)c(Br)cc1F 2343222658 RTBKJDPLSJQSSB-HNXYLICVSA-N 457.019 6.859 50 10 JKGE CC1(C)CCC[C@@]1(CCl)NCc1ccc(I)c(Br)c1 2349830786 CSFAYFWNSMAPPY-HNNXBMFYSA-N 456.593 5.331 50 10 JKGE Clc1ccc(I)cc1CN1CC[C@@H]2CC[C@H](Br)[C@H]1C2 2352428647 XLPLIXSIKPHQNS-VZJVUDMVSA-N 454.577 5.083 50 10 JKGE Fc1c(Br)cc(Cl)c([C@@H](Cl)[C@@H]2[C@@H]3[C@H]2CCC3(F)F)c1Br 2362239886 WNVHXXWIERJQSH-JVAOAGLWSA-N 452.923 6.575 50 10 JKGE Cc1cc(Br)c(F)c(Br)c1[C@@H](Br)[C@H]1CCCCS1(=O)=O 2365186282 OQWXXISPJUFOHD-KOLCDFICSA-N 493.030 5.062 50 10 JKGE COc1c(Br)cc(C)c([C@H](Br)[C@]23CCCC[C@@H]2C3)c1Br 2365187544 BGLVXFWLVBTUOB-VFVAKGGASA-N 467.039 6.545 50 10 JKGE N#C/C(=C\c1ccc(OCc2ccccc2F)c(Br)c1)c1cccc([N+](=O)[O-])c1 2866065 MYYJMVHDJSPNTO-VCHYOVAHSA-N 453.267 6.140 50 10 JKGE CCCCN(CCCC)Cc1ccc(C(=O)NNC(=O)Nc2ccc(Cl)c(Cl)c2)o1 20734796 KZZLKZQBUJCATD-UHFFFAOYSA-N 455.386 5.455 50 10 JKGE CCOc1ccc(C2=CS/C(=C(\C#N)c3nnc4n3CCCCC4)N2c2ccccc2)cc1 33402475 JYFNEQKBYQQQRL-XTCLZLMSSA-N 455.587 5.847 50 10 JKGE N#C/C(=C\c1ccc(-c2ccc(C(=O)O)cc2)o1)c1nc(O)c2cc(Br)ccc2n1 35518450 PCQQACFMEVIICQ-NTEUORMPSA-N 462.259 5.120 50 10 JKGE CCc1ccc(O[C@@H](C)C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@@H]3c2ccc(CC)cc2)cc1 38677541 DGLOKUVPBRZOIZ-XRHLQHRESA-N 468.553 5.402 50 10 JKGE N#CC1=C(N)Oc2cc(OC(=O)c3cccc(Cl)c3)ccc2[C@@H]1c1c(F)cccc1Cl 38680598 OGBWGSYMTPYIFE-FQEVSTJZSA-N 455.272 5.570 50 10 JKGE CCOc1cccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4oc5cc(C)c(C)cc5c4C)ccc32)c1 38701203 GCAUCPXUTFABNI-HHHXNRCGSA-N 494.547 6.194 50 10 JKGE Cc1cc(C)cc(Oc2nc3ccccn3c(=O)c2/C=C(/C#N)C(=O)Nc2ccc(C)c(C)c2)c1 39858773 SEQPNMZOBBGIQI-QNGOZBTKSA-N 464.525 5.266 50 10 JKGE Nc1c(NNC(=O)c2cccc3ccccc23)ncnc1NN(c1ccccc1)c1ccccc1 40777864 BYVZCEXLEXBJLQ-UHFFFAOYSA-N 461.529 5.134 50 10 JKGE Cc1c(C(=O)Nc2ccc(Cl)cc2Cl)oc2c1/C(=N/NC(=O)c1ccccc1F)CCC2 40812310 WOBGNMOQSOHGSC-MTDXEUNCSA-N 474.319 5.757 50 10 JKGE Cc1cccc(NC(=O)c2oc3c(c2C)/C(=N/NC(=O)c2ccc4ccccc4n2)CCC3)c1C 40825736 SGPPSGPEIOBDJT-DFKUXCBWSA-N 466.541 5.476 50 10 JKGE COc1cc(NC(=O)/C(C#N)=C/c2ccc(-c3ccc(Br)c(C)c3)o2)ccc1Cl 58832682 WSVAOPFBRMXZIS-XNTDXEJSSA-N 471.738 6.225 50 10 JKGE COc1cc(/C=N/NC(=O)c2cc3ccccc3o2)ccc1OCc1ccc(Cl)cc1Cl 59679959 HANXCYKXMAOOQW-UVHMKAGCSA-N 469.324 6.091 50 10 JKGE COC(=O)c1cc(C)sc1NC(=O)/C(C#N)=C\c1cccn1Cc1ccc(Cl)cc1Cl 96437777 JVEUVQQDWADQDW-DHDCSXOGSA-N 474.369 5.545 50 10 JKGE CCc1ccc(N2C(=O)[C@H](Cc3ccccc3)S/C2=C(/C#N)C(=O)Nc2ccccc2C)cc1 101244890 HKGINZKTGAMBAF-IDJUBOEBSA-N 467.594 5.622 50 10 JKGE CC(C)C(=O)[C@H](Br)Cc1c(Br)cc(Br)cc1Br 104001899 WNUYBPRTCYXSSQ-LLVKDONJSA-N 491.843 5.505 50 10 JKGE FC(F)(F)COCCCC(CBr)(CBr)c1cccc(Cl)c1 118878166 QFUIPRKMZGDNCA-UHFFFAOYSA-N 452.536 5.727 50 10 JKGE COc1cccc(OC)c1[C@@H](Br)c1cc(Br)c(C)cc1Br 128835201 FFCCRFCDFGJBHO-INIZCTEOSA-N 479.006 6.022 50 10 JKGE Clc1cccc(CO[C@H](CI)c2ccccc2Br)c1 162435806 QZOVOKXAZPURMN-OAHLLOKOSA-N 451.529 5.795 50 10 JKGE CCC[Si](CCC)(CCC)O[C@H](OCC)[C@H](O[Si](CCC)(CCC)CCC)c1ccccc1 205991816 PRXPLOCAKJWFFT-IZLXSDGUSA-N 494.909 9.475 50 10 JKGE CCCCOC(=O)c1ccccc1NC(=O)/C(C#N)=C\Nc1ccc(Br)cc1C 217241097 DAAWSDVQXJMSSY-PEZBUJJGSA-N 456.340 5.173 50 10 JKGE Brc1cc(Br)cc([C@H](Br)c2ccc(Br)s2)c1 232481841 VKXGJACQWURFPG-NSHDSACASA-N 489.852 6.520 50 10 JKGE Cl[C@@H](c1ccc(Br)s1)c1cc(Br)ccc1I 236033190 WSHNDRFGNPCPAH-LLVKDONJSA-N 492.401 6.206 50 10 JKGE Fc1ccc(C[C@H](Br)c2cc(Br)cc(Br)c2)cc1F 236168686 OQNRYNJETRGJIW-LBPRGKRZSA-N 454.934 6.169 50 10 JKGE Fc1cc(Br)c(Cl)cc1[C@@H](Br)c1cc(Cl)ccc1Br 236225948 OBTDOQVOAAAEOK-ZDUSSCGKSA-N 491.807 7.142 50 10 JKGE CC(=NNC(=O)c1c[nH]c2ccccc12)c1ccc(NC(=O)[C@H](C)Oc2ccc(Cl)cc2C)cc1 254351800 NBRYIYPFFHYTGT-SFHVURJKSA-N 488.975 5.690 50 10 JKGE C=CCOc1ccc(Br)cc1C=NNC(=O)c1cc(Br)ccc1OCC=C 254555970 VBCVTIRQQZHAAM-UHFFFAOYSA-N 494.183 5.105 50 10 JKGE COc1ccccc1/C=C/C=NNC(=O)CSc1nnc(-c2ccc(C)cc2)n1C1CCCCC1 254812730 VDVODOZOOAFOND-BIGBDEDESA-N 489.645 5.675 50 10 JKGE BrCc1cc(I)cc2sc(I)cc12 307309315 XGZHAZABNMURQD-UHFFFAOYSA-N 478.918 5.005 50 10 JKGE C[C@H](COc1c(Br)cc(Br)cc1CBr)c1ccccc1 384338470 WQWQHWLMEXZZLX-LLVKDONJSA-N 463.007 6.289 50 10 JKGE C[C@H](Cl)c1nc2cc(I)ccc2n1CCCOCc1ccccc1 389939324 CDJHMXUFDJYTSK-AWEZNQCLSA-N 454.739 5.548 50 10 JKGE C[C@@H](Cl)c1nc2cc(I)c(F)cc2n1C[C@@H]1CCCN1Cc1ccccc1 390610825 FBOAVLXBJOJJFE-ZBFHGGJFSA-N 497.783 5.744 50 10 JKGE Fc1cc(F)c(F)c([C@H](Br)c2ccc(Br)cc2Br)c1F 396110378 VLWORMCYSVXYES-LLVKDONJSA-N 476.887 6.252 50 10 JKGE Brc1csnc1[C@H](Br)c1csc2c(Br)cccc12 404800100 JRWDCDDHSAJZNY-SNVBAGLBSA-N 468.033 6.367 50 10 JKGE CCOc1ccc(Br)cc1[C@H](Br)c1nscc1Br 404816486 PZMMNPBPALNERT-NSHDSACASA-N 455.997 5.551 50 10 JKGE CCOC(=O)CN(Cc1ccccc1)C(=O)Nc1cccc(C(=O)Nc2ccc(SC#N)cc2)c1 586677879 ZBGHMNQNIYNBAZ-UHFFFAOYSA-N 488.569 5.109 50 10 JKGE Cc1ccc2nc(CCCl)n(CC3(N(Cc4ccccc4)Cc4ccccc4)COC3)c2c1 705870661 ZZGVNBSLCYJQOZ-UHFFFAOYSA-N 460.021 5.597 50 10 JKGE N#C/C(=C/c1ccc(OC(=O)c2ccc(Cl)cc2)cc1)C(=O)Nc1cccc2ccccc12 1083920357 YGDPWISYULMQBR-PGMHBOJBSA-N 452.897 6.258 50 10 JKGE N#C/C(=C\c1cn(Cc2cccc([N+](=O)[O-])c2)c2ccccc12)C(=O)NCCc1c[nH]c2ccccc12 1084236448 NLSFUXQEEBVFOW-PXLXIMEGSA-N 489.535 5.345 50 10 JKGE N#C/C(=C/c1ccc(OCc2ccc(Cl)cc2Cl)cc1)C(=O)Nc1cccc(Cl)c1 1084280038 SLSOZLPVDGEEFZ-YVLHZVERSA-N 457.744 6.771 50 10 JKGE COc1ccccc1C(=O)NN=C1CCCc2oc(C(=O)Nc3cc(Cl)ccc3Cl)c(C)c21 1772745778 GZIRGBKSFPUDCT-UHFFFAOYSA-N 486.355 5.626 50 10 JKGE O=C(CSc1nc2ccccc2[nH]1)NN=Cc1c(OCc2ccccc2F)ccc2ccccc12 1772760605 XWFXZOPOTBSCOV-UHFFFAOYSA-N 484.556 5.677 50 10 JKGE CCCc1nn(Cc2ccc(Cl)c(Cl)c2)c2c1[C@H](c1ccc(C(C)(C)C)cc1)C(C#N)=C(N)O2 1865682248 JWSNDWCDIAWIMK-HSZRJFAPSA-N 495.454 6.706 50 10 JKGE CCCc1nn(-c2ccc(Br)cc2)c2c1[C@H](c1cccc3ccccc13)C(C#N)=C(N)O2 1865682816 XZTVYPNMDLJADA-HSZRJFAPSA-N 485.385 5.959 50 10 JKGE CCCc1nn(Cc2ccc(Cl)c(Cl)c2)c2c1[C@@H](c1ccc(C(C)C)cc1)C(C#N)=C(N)O2 1865684874 AWMWRQKPNHRICX-QHCPKHFHSA-N 481.427 6.532 50 10 JKGE COc1ccc(-c2nn(-c3ccccc3)c3c2[C@H](c2ccccc2Cl)C(C#N)=C(N)O3)cc1 1865686112 RKBXJRFGQFLDIN-JOCHJYFZSA-N 454.917 5.419 50 10 JKGE COc1cc([C@@H]2C(C#N)=C(N)Oc3c2c(C)nn3Cc2ccccc2F)ccc1OCc1ccccc1 1865687524 TUNUNLSDMSOXIB-HHHXNRCGSA-N 496.542 5.185 50 10 JKGE CCCc1nn(Cc2ccc(Cl)cc2)c2c1[C@@H](c1cn(C)c3ccccc13)C(C#N)=C(N)O2 1865699322 QNJMWCVDDRAUPN-HSZRJFAPSA-N 457.965 5.247 50 10 JKGE Cn1cc([C@@H]2C(C#N)=C(N)Oc3c2c(-c2ccccc2)nn3-c2cccc(Cl)c2)c2ccccc21 1865699536 WLFFYTNAYPYVGM-DEOSSOPVSA-N 477.955 5.903 50 10 JKGE Cn1cc([C@H]2C(C#N)=C(N)Oc3c2c(-c2ccccc2)nn3Cc2ccccc2Cl)c2ccccc21 1865699558 WVTBBXSWZVKVHL-RUZDIDTESA-N 491.982 5.962 50 10 JKGE COc1ccc(-c2nn(Cc3ccc(C)cc3)c3c2[C@H](c2ccc(F)cc2F)C(C#N)=C(N)O3)cc1 1865701923 IFPNFILKKUORJV-XMMPIXPASA-N 484.506 5.412 50 10 JKGE Cc1nc(-c2ccc(Cl)cc2Cl)ccc1C(=O)NNC(=O)c1ccccc1SCC(C)C 1865759604 IUMIPLFPTHTFQO-UHFFFAOYSA-N 488.440 6.187 50 10 JKGE CC[C@](C)(NC(=O)C[C@@H](c1ccc(F)c(C)c1)C(C)C)C(=O)Nc1ccc(SC#N)cc1 1866766278 MBZGIWCBQJOISB-BWKNWUBXSA-N 455.599 5.761 50 10 JKGE CC(C)(C)c1nc(Nc2ccc(SC#N)cc2)cc(N2CC(=O)N3CCc4ccccc4[C@H]3C2)n1 1868342590 XGIISRNETXSQPM-JOCHJYFZSA-N 484.629 5.037 50 10 JKGE CCOc1ccc(-c2nc(Nc3ccc(SC#N)cc3)cc(N3CCC[C@H](CO)C3)n2)cc1 1868528209 PTGVWPJROIRHBN-SFHVURJKSA-N 461.591 5.068 50 10 JKGE COc1ccc(Oc2c(C(F)(F)F)oc3cc(OCc4cccc(CCl)c4)ccc3c2=O)cc1 1871436894 ARBSDSYIWBINQQ-UHFFFAOYSA-N 490.861 6.931 50 10 JKGE N#C/C(=C(/O)CNC(=O)c1ccc(Cl)cc1)c1nc(-c2ccc(Cl)cc2Cl)cs1 1872744746 GRWQOWZZYTUIRS-SDXDJHTJSA-N 464.761 5.993 50 10 JKGE COc1cc(/C(O)=C(\C#N)c2nc(-c3ccc(Cl)cc3Cl)cs2)cc(OC)c1OC 1872745095 VWUWXYDYRRMICT-RGEXLXHISA-N 463.342 6.093 50 10 JKGE Cc1ccc(-c2csc(/C(C#N)=C(\O)c3ccc4c(c3)C(=O)N(C3CCCCC3)C4=O)n2)cc1C 1872756744 YRHJTSMYPYODNZ-BZZOAKBMSA-N 483.593 6.306 50 10 JKGE COc1cc(/C=C(\C#N)c2nc(-c3cc(C(C)C)c(OC)cc3C)cs2)ccc1OC(C)C 1872793370 WQPQYPQPKRSTIA-RGVLZGJSSA-N 462.615 7.111 50 10 JKGE COc1cc(-c2csc(/C(C#N)=C/c3c(OC)ccc4ccccc34)n2)c(OC)cc1Cl 1872793878 YWWSNRUVLFHRRA-MHWRWJLKSA-N 462.958 6.707 50 10 JKGE Clc1ccc([C@H](Br)c2cc(Br)ccc2OCc2ccccc2)s1 1899855792 BUJNCSBEKDRNGO-GOSISDBHSA-N 472.629 7.227 50 10 JKGE C[C@H](Br)CN(Cc1ccccc1)C(=O)c1scc(Br)c1Br 1914646658 RTNZTJJKJDWXKZ-JTQLQIEISA-N 496.062 5.699 50 10 JKGE O=C(Cc1ccccc1I)N(Cc1ccccc1)C1(CBr)CCC1 1915750284 FUBCQDASEANWJY-UHFFFAOYSA-N 498.202 5.180 50 10 JKGE Cc1c(Br)sc([C@@H](Br)C[C@H](C)CC(C)(C)C)c1Br 1922954238 MCAOEAFLYOHMMD-WPRPVWTQSA-N 461.101 7.480 50 10 JKGE Cc1sc(Br)cc1[C@@H](Br)[C@@H](C)c1ccncc1Br 1924066452 IDFJVMOADXLSJC-CPFSXVBKSA-N 454.025 6.216 50 10 JKGE Cc1sc(Br)cc1[C@@H](Br)[C@H](C)c1ccncc1Br 1924066454 IDFJVMOADXLSJC-UHLUBPPHSA-N 454.025 6.216 50 10 JKGE CC(C)(C[C@@H](Cl)c1c(Br)sc(Br)c1Br)C(F)(F)F 1924569825 AQQLNXYANCTVRV-SCSAIBSYSA-N 493.408 7.294 50 10 JKGE C[C@]1([C@@H](Br)c2c(Br)sc(Br)c2Br)C[C@H]1F 1924605360 PXYZLPHTXFVMQA-PHTXQJRJSA-N 485.836 6.220 50 10 JKGE C[C@@H]1C[C@@H]2C[C@@H]2C[C@H]1[C@@H](Cl)c1c(Br)sc(Br)c1Br 1924613069 GAZQCBMHCHCUKW-UYEZSENVSA-N 477.487 6.998 50 10 JKGE Clc1sc(Br)c(Cl)c1[C@@H](Cl)Cc1ccccc1I 1925562088 UWTWGXNVFDQSMT-ZETCQYMHSA-N 496.422 6.945 50 10 JKGE CN(CCN(Cc1ccccc1)C(=O)c1ccc(CBr)cc1)Cc1ccccc1 1931960749 ONEMTUUWMICXNH-UHFFFAOYSA-N 451.408 5.356 50 10 JKGE CCC1([C@@H](Br)c2c(Br)sc(Br)c2Cl)CCC1 1940118341 XAIWHSRVGQMVCY-QMMMGPOBSA-N 451.449 6.943 50 10 JKGE Cl[C@H](c1ccc(Br)cc1Br)c1sccc1I 1994122246 KGDCASTYVLSLPG-SNVBAGLBSA-N 492.401 6.206 50 10 JKGE Clc1c(Br)ccc(CBr)c1Oc1ccccc1Br 2036849540 QSXDDLQSZVAXPT-UHFFFAOYSA-N 455.371 6.552 50 10 JKGE BrCc1c(Br)cccc1N1CC[C@@]2(CCN(Cc3ccccc3)C2)C1 2044888662 YRVZDQKYMJXNHL-OAQYLSRUSA-N 464.245 5.446 50 10 JKGE Cc1c(Br)sc([C@H](Br)C23CCOC(C)(C2)C3)c1Br 2046402360 AMHSIUWFQLJNIV-PKSQDBQZSA-N 459.041 5.977 50 10 JKGE CCc1sc(Br)cc1[C@H](Br)c1nn(C)c(Br)c1C 2049256590 UMVGQNGVLWGFMB-JTQLQIEISA-N 457.029 5.362 50 10 JKGE CC[C@@H](CC(F)(F)F)[C@H](Br)c1ccc(Br)cc1Br 2083311831 MSIKXVDDJDZHGJ-CPCISQLKSA-N 452.934 6.626 50 10 JKGE Cn1nc([C@H](Cl)c2ccc(Br)cc2Br)c(Br)c1Cl 2083318566 QPPVUJUDDCIHOO-SECBINFHSA-N 477.809 5.689 50 10 JKGE CC(C)(CCCBr)CNC(=O)c1cccc(Br)c1Br 2092339905 KAQTYQJWKKTPSV-UHFFFAOYSA-N 456.016 5.143 50 10 JKGE BrCc1cc(Br)cc(Br)c1OC[C@@H]1CCCCCO1 2096334389 QPQJMGWBJHUDOC-LBPRGKRZSA-N 457.000 5.445 50 10 JKGE CC1(C)CC(CBr)(CNC(=O)c2cc(Br)sc2Br)C1 2102088764 AQABEOZMTDMALY-UHFFFAOYSA-N 474.056 5.204 50 10 JKGE Cc1cccc([C@H](Br)Cc2c(Cl)cccc2Cl)c1I 2104785895 ZVIVHAGOXJVHER-GFCCVEGCSA-N 469.975 6.585 50 10 JKGE C[C@@H]1C[C@@H](n2c(CCl)nc3cc(Cl)c(Br)cc32)CN1Cc1ccccc1 2112690745 JCFDFEMNYJPNGZ-UKRRQHHQSA-N 453.211 6.027 50 10 JKGE CCc1nc([C@@H](Br)c2cc(Br)ccc2OC)c(Br)s1 2113183031 NWRUVTXZFUHWOR-NSHDSACASA-N 470.024 5.723 50 10 JKGE FC1(F)CCC(CBr)(Cc2cccc(Br)c2Br)CC1 2121106343 RWVBIHSDBMZOQU-UHFFFAOYSA-N 460.982 6.345 50 10 JKGE Cc1nn(C)c(Br)c1[C@@H](Br)c1cc(Cl)c(Br)cc1F 2129266052 SPHGNIPQSLTGTE-NSHDSACASA-N 475.381 5.530 50 10 JKGE Cc1cc(Br)c(C)c([C@H](Br)C2(C(C)(F)F)CC2)c1Br 2136367404 QLQMCIFIZFKQIE-LBPRGKRZSA-N 460.982 6.700 50 10 JKGE CCc1occc1[C@@H](Br)c1c(C)c(Br)cc(C)c1Br 2136378417 CUFITWCXKMPJNC-OAHLLOKOSA-N 450.996 6.468 50 10 JKGE COC1(C[C@H](Br)c2c(C)c(Br)cc(C)c2Br)CCC1 2136380672 VVNPGYMOKILDIX-LBPRGKRZSA-N 455.028 6.224 50 10 JKGE Cc1cc(Cl)c(Br)cc1[C@H](Cl)c1ccc(I)c(Cl)c1 2137656597 QAQFCNILSCWPJQ-CQSZACIVSA-N 490.393 6.997 50 10 JKGE Cn1ncc([C@H](Br)c2ccc(-c3cccs3)s2)c1I 2140970772 NIYWWEREMNCSIJ-LBPRGKRZSA-N 465.179 5.299 50 10 JKGE O=C(Nc1ccc(CCl)cc1)c1ccc(Br)cc1I 2142280748 IGVSBJGQLVFYSC-UHFFFAOYSA-N 450.501 5.045 50 10 JKGE ClC[C@@H](Cc1ccccc1Br)Cc1c(Br)cccc1Br 2150493981 FGDGZJGCMSZWFK-NSHDSACASA-N 481.453 6.614 50 10 JKGE CN(C[C@H](Br)C1CCCCC1)C(=O)c1cc(Br)sc1Br 2167650721 ACKIRKXVKWHYSV-NSHDSACASA-N 488.083 5.689 50 10 JKGE O=C(c1cc(Br)c(Br)s1)N1CC[C@](CBr)(C(F)(F)F)C1 2167680186 QWLVESNLSCIUOM-SNVBAGLBSA-N 499.972 5.063 50 10 JKGE COc1ccc(O[C@@H]2C[C@H](Br)[C@@]23CCC[C@H]3C)cc1I 2173617216 ZOOOASHOPIEYFN-NWLYGAKOSA-N 451.142 5.021 50 10 JKGE Brc1ccc(Br)c(C[C@H]2CCc3ccccc3[C@@H]2Br)c1 2175143925 GPMXMPCKFJLSPV-SJKOYZFVSA-N 459.019 6.453 50 10 JKGE O=C(c1cc(Br)sc1Br)N1C[C@]2(F)CCC[C@@]2(CBr)C1 2176631468 ZMLUHMWWUZLSQL-CHWSQXEVSA-N 490.030 5.002 50 10 JKGE C[C@@H](N(Cc1ccccc1)S(=O)(=O)c1cc(CBr)c(Cl)cc1Cl)C(C)(C)C 2179829898 GECAMYSZEDAYGK-CQSZACIVSA-N 493.294 6.514 50 10 JKGE CCn1cc(Br)c([C@H](Br)c2cc(Br)c(F)cc2OC)n1 2181176456 OJPWMYMEAZFLRP-GFCCVEGCSA-N 470.962 5.060 50 10 JKGE O=C(N[C@@H](CBr)[C@@H]1CC=CCC1)c1cc(Br)ccc1Br 2196158427 YNSGHFLNETVMDI-YGRLFVJLSA-N 466.011 5.061 50 10 JKGE COc1cc(Cl)c([C@@H](Br)c2cc(C)ccc2Br)cc1Br 2202354341 XCELTADUQBQQOA-HNNXBMFYSA-N 483.425 6.666 50 10 JKGE Clc1cc(Br)ccc1C[C@H](Br)c1cc(Br)cs1 2215851413 GYNYDIJTLABGQZ-JTQLQIEISA-N 459.428 6.605 50 10 JKGE Cc1cc(Cl)c(Br)cc1[C@@H](Br)c1scc(Br)c1C 2219002828 LKXLSEIVGWCSJH-GFCCVEGCSA-N 473.455 7.028 50 10 JKGE Cc1cc(Br)c([C@H](Br)c2cc(C)c(Br)c(C)c2)s1 2220199918 JIQFTSHSAZAZIN-CYBMUJFWSA-N 453.037 6.683 50 10 JKGE CC(C)(C)C1([C@H](Br)c2cc(Br)c(Br)cc2F)CCC1 2225617485 OVJGSYJWTDURPI-CYBMUJFWSA-N 457.019 7.003 50 10 JKGE COc1ccc(Br)c(CBr)c1OCc1nscc1Br 2227737222 MLFYTFXBUMAKMB-UHFFFAOYSA-N 471.996 5.151 50 10 JKGE Clc1ccc([C@H](Br)Cc2ccc(Br)cc2Cl)cc1Br 2229148236 BYQGFJXHOYORQQ-LLVKDONJSA-N 487.844 7.197 50 10 JKGE Cc1ccc(Br)c([C@H](Br)c2ccc3c(c2Br)CCO3)c1 2238076230 IVVLIRFHXZCSBL-MRXNPFEDSA-N 460.991 5.939 50 10 JKGE COc1ccc([C@@H](Br)c2nscc2Br)c(Br)c1Cl 2256327920 UCRAQOPHPFZTAR-SECBINFHSA-N 476.415 5.814 50 10 JKGE Cc1cc(Cl)c(Cl)cc1[C@H](Br)c1cc(I)ccc1F 2264373191 LKUNTSSPASYROL-AWEZNQCLSA-N 473.938 6.530 50 10 JKGE CN(Cc1cccc(I)c1)c1ccc(Br)cc1CBr 2265533130 RDVHUAZSROUUFN-UHFFFAOYSA-N 494.996 5.585 50 10 JKGE ClCCc1nc2cnc(C3CC3)nc2n1CCCN(Cc1ccccc1)Cc1ccccc1 2271063712 QFPPLRQWSFVRPH-UHFFFAOYSA-N 460.025 5.578 50 10 JKGE Fc1cc(Br)c(F)c(Br)c1[C@H](Br)C1[C@H]2CCCC[C@H]12 2272849857 NMLLHZZRARQZOB-DJOAAKCGSA-N 458.966 6.362 50 10 JKGE N#CC(=Cc1ccc(-c2cc(C(F)(F)F)ccc2Cl)o1)C(=O)Nc1cccc(Cl)c1 2293038476 FXDQPFVBZVMJCX-UHFFFAOYSA-N 451.231 6.818 50 10 JKGE Cc1ccc(-c2nnc(SCC(=O)NN=CC=Cc3ccco3)n2-c2ccc(Cl)cc2)cc1 2293707272 XLWUIGIPXTVENN-UHFFFAOYSA-N 477.977 5.397 50 10 JKGE Cc1ccccc1NC(=O)C(C#N)=Cc1ccc(OCc2ccc(C(=O)O)cc2)c(Br)c1 2294146921 CGWHZKXRQGROFU-UHFFFAOYSA-N 491.341 5.580 50 10 JKGE COC(=O)c1c(NC(=O)C(C#N)=Cc2ccc(-c3ccc([N+](=O)[O-])cc3)o2)sc2c1CCCC2 2296818137 OVSLHQJBMYMKEG-UHFFFAOYSA-N 477.498 5.127 50 10 JKGE Cc1c(Cl)cccc1NC(SCc1cccc(F)c1)=C(C#N)S(=O)(=O)c1ccccc1 2297349993 KFWNOQYSISZXIZ-UHFFFAOYSA-N 472.994 6.299 50 10 JKGE N#CC(=Cc1cc2c(cc1Br)OCO2)c1nc(-c2cc3ccccc3oc2=O)cs1 2297506976 PWMGSDVOFJZJCM-UHFFFAOYSA-N 479.311 5.472 50 10 JKGE Brc1ccc(OCc2ccccc2)c([C@H](Br)[C@]23CCOC[C@H]2C3)c1 2299493432 GNJOXPPOKCCCKV-XPGWFJOJSA-N 452.186 5.891 50 10 JKGE C[C@H]([C@@H]1CCCO1)[C@H](Br)c1ccc(OCc2ccccc2)cc1Br 2299535945 UXLMPYWCHQJION-UAOJZALGSA-N 454.202 6.279 50 10 JKGE FC1(F)CCOC[C@@H]1[C@H](Br)c1sc(Cl)cc1I 2300952796 AJIWOYMGFBFVRV-XRGYYRRGSA-N 457.505 5.114 50 10 JKGE COc1c(Br)cc(C)c([C@H](Br)[C@H]2C[C@@H]2Br)c1Br 2301502710 OQHBYSCRJBAUDO-MHYGZLNHSA-N 491.843 5.748 50 10 JKGE N#CC(=Cc1cn(Cc2ccc(F)cc2)c2ccccc12)C(=O)N1CCN(c2ccccc2)CC1 2313568556 WPSKWLQZAWKIPZ-UHFFFAOYSA-N 464.544 5.084 50 10 JKGE CCOC(=O)c1cccc(-n2c(C)cc(C=C(C#N)C(=O)Nc3cccc(Cl)c3Cl)c2C)c1 2313571308 RZQUUJAKYKKDAP-UHFFFAOYSA-N 482.367 6.123 50 10 JKGE N#CC(=Cc1ccccc1OCc1ccccc1F)C(=O)Nc1sc2c(c1C#N)CCCC2 2313631003 ZIHOHOTVBXMIOI-UHFFFAOYSA-N 457.530 5.762 50 10 JKGE COc1cccc(C=C(C#N)C(=O)Nc2ccc(Cl)cc2)c1OCc1ccc(Cl)cc1 2313631852 XCRVQCVPGFUHRE-UHFFFAOYSA-N 453.325 6.127 50 10 JKGE CCCCOc1cccc(-c2nn(-c3ccccc3)cc2C=C(C#N)C(=O)NCCCn2ccnc2)c1 2314476383 NQHCUXVWHVZXRE-UHFFFAOYSA-N 494.599 5.028 50 10 JKGE Cc1cc(C)cc([C@@H](Br)c2cc(Br)ccc2OCc2ccccc2)c1 2314491622 RUWALYVMYITKPL-JOCHJYFZSA-N 460.209 7.129 50 10 JKGE CCOC(=O)c1c(NC(=O)C(C#N)=Cc2ccc(-c3ccc(Cl)cc3Cl)o2)sc(C)c1C 2314572145 ULXONGGOKJWMQT-UHFFFAOYSA-N 489.380 6.654 50 10 JKGE Cc1ccc(C[C@@H]2SC(=C(C#N)C(=O)Nc3ccccc3C)N(c3ccc(C(C)C)cc3)C2=O)cc1 2314592393 SHSOVSNJHVGYCN-MHZLTWQESA-N 495.648 6.492 50 10 JKGE CC(C)c1ccc(N2C(=O)[C@H](Cc3ccccc3)SC2=C(C#N)C(=O)N[C@H](C)c2ccccc2)cc1 2314593662 QPFGDLISSQBZKP-ZBLYBZFDSA-N 495.648 6.114 50 10 JKGE CC1=C(C#N)C(=O)N(C)C(=O)C1=Cc1cn(-c2ccccc2)nc1-c1ccc(OCCC(C)C)c(C)c1 2314617667 PZPDBJAPVKECAN-UHFFFAOYSA-N 494.595 5.495 50 10 JKGE N#CC1=C(N)Oc2cc(OC(=O)C=Cc3ccc(Cl)cc3)ccc2[C@@H]1c1ccc(Cl)cc1Cl 2314634041 FLUNYDZXUYDXEC-DEOSSOPVSA-N 497.765 6.484 50 10 JKGE Cc1sccc1[C@@H](Br)c1c(Cl)cc(Br)c(F)c1Br 2315442126 PMPIQXNQHWGMNX-SNVBAGLBSA-N 477.418 6.858 50 10 JKGE Cc1ccc(Oc2cc(Br)cc(I)c2)c(CBr)c1 2316758957 JOGXJVFAVZFJFU-UHFFFAOYSA-N 481.953 6.049 50 10 JKGE Cc1cscc1[C@H](Br)c1c(C)cc(Br)c(F)c1Br 2317396366 RPUUELWQVNJIMF-NSHDSACASA-N 457.000 6.513 50 10 JKGE Cc1cc(Br)c(F)c(Br)c1[C@@H](Cl)c1ccsc1Br 2317422872 LVIZELAJWNNPQG-JTQLQIEISA-N 477.418 6.811 50 10 JKGE O=C(Cc1ccc(Br)cc1Cl)N[C@H](CCBr)COCc1ccccc1 2320359913 CJYMPLUYQFYPJX-QGZVFWFLSA-N 489.635 5.132 50 10 JKGE COc1ccc(C(C#N)=Cc2ccc(OC(=O)c3c(F)cccc3Cl)c(OC)c2)cc1OC 2320506586 MRHPVOWQCZQSSG-UHFFFAOYSA-N 467.880 5.788 50 10 JKGE CC1(C)C[C@@H](Br)[C@H](Cc2ccc(I)c(Br)c2)CO1 2325176508 XPNZZMXPSVQNSD-ZYHUDNBSSA-N 488.001 5.175 50 10 JKGE CCCCOC(=O)c1ccccc1NC=C(C#N)C(=O)Nc1ccc(Cl)c(C(F)(F)F)c1 2325382883 VUAMZDAPPUKJHU-UHFFFAOYSA-N 465.859 5.774 50 10 JKGE BrCc1cc(Br)cc(Br)c1OC[C@@H]1C[C@@H]2CC[C@H]1O2 2329971558 WHQQMMLLZFPEHJ-XHVZSJERSA-N 454.984 5.053 50 10 JKGE CC(C)c1ccccc1O[C@H](C)C(O)=C(C#N)c1nc(-c2ccc(Br)cc2)cs1 2331260624 RVPOWRAPSCVHJH-OAHLLOKOSA-N 469.404 6.956 50 10 JKGE CCCOc1ccc(-c2csc(C(C#N)=Cc3ccc(C(=O)OC)cc3)n2)cc1OCCC 2331437775 ATIIXZWCBLOAAO-UHFFFAOYSA-N 462.571 6.238 50 10 JKGE COc1cc(C=C(C#N)c2nc(-c3ccc(F)cc3F)cs2)ccc1OC(=O)c1ccccc1 2331437933 UZDFVHZYCLZUEI-UHFFFAOYSA-N 474.488 6.380 50 10 JKGE Cc1ccc(-c2csc(C(C#N)=Cc3c(OCc4ccccc4)ccc4ccccc34)n2)cc1 2331444060 HADFEPZHXCAYEG-UHFFFAOYSA-N 458.586 7.915 50 10 JKGE COc1c(Cl)cc(-c2csc(C(C#N)=Cc3cc4c(cc3[N+](=O)[O-])OCCO4)n2)cc1Cl 2331480880 MXILUCPBRFCNET-UHFFFAOYSA-N 490.324 5.869 50 10 JKGE Brc1cc(OCc2ccccc2)ccc1[C@@H](Br)[C@H]1CCn2ccnc2C1 2336080487 ZJKATVRYKOZXKV-KKSFZXQISA-N 476.212 5.923 50 10 JKGE C[C@@H]1OCC[C@@H]1C[C@H](Br)c1c(Cl)cc(Br)c(F)c1Br 2337105854 BOADQDASXRBQDT-RNJXMRFFSA-N 479.409 6.255 50 10 JKGE Cc1cc(OCc2ccc(Cl)c(I)c2)ccc1CBr 2337276483 HPORINKULIWQER-UHFFFAOYSA-N 451.529 5.727 50 10 JKGE Cn1nc(Br)c(Br)c1[C@H](Br)Cc1c(Cl)cccc1Cl 2338690184 DMYSDLSYZDHXIC-SSDOTTSWSA-N 491.836 5.931 50 10 JKGE CCC1(CC)[C@@H](Br)C[C@H]1OCc1c(Br)cccc1Br 2340567027 AAUWSZCIUURBER-UONOGXRCSA-N 455.028 6.070 50 10 JKGE C[C@@]1(C(F)(F)F)C[C@]1(CBr)Cc1cc(I)ccc1Cl 2352416828 AEPCYPKHIMGBBQ-NEPJUHHUSA-N 467.494 5.841 50 10 JKGE CCc1nnsc1CC(CBr)(CBr)c1cccc(Br)c1 2361020651 IJDQOJABZGOPDX-UHFFFAOYSA-N 483.067 5.133 50 10 JKGE C[C@]12C[C@H](C1)[C@@H]([C@@H](Br)c1c(F)cc(Br)c(F)c1Br)CO2 2362921366 FQHXWZWMGVYKHA-PUDGGNRWSA-N 474.965 5.741 50 10 JKGE COc1cc(Br)c([C@H](Cl)c2c(Br)c(Br)nn2C)cc1C 2364051711 ROTFNGFYKFGYIV-NSHDSACASA-N 487.417 5.353 50 10 JKGE Cc1cc(Br)c(F)c(Br)c1[C@H](Br)C1C[C@@H](C)O[C@H](C)C1 2365189013 QJZLLDPVDHJGSK-JRKPZEMJSA-N 473.018 6.299 50 10 JKGE Cc1cc(Br)c(F)c(Br)c1[C@H](Br)[C@@]12C[C@@H](CO1)C2(C)C 2365195893 GPQLASXKDMWBFY-MIUALZABSA-N 471.002 5.910 50 10 JKGE C[C@H]1C[C@H]2C[C@](COc3c(Br)cc(CBr)cc3Br)(C2)O1 2368520223 FRXCRDDVFXDMFU-CCUNJIBTSA-N 469.011 5.443 50 10 JKGE Cc1cccc([C@H](CBr)OCc2cc(I)ccc2Cl)c1 2380353107 HGRKZFXQGBBBDC-INIZCTEOSA-N 465.556 5.906 50 10 JKGE Cc1ccc(NC(=O)/C(C#N)=C/c2cn(-c3ccccc3)nc2-c2ccc(OC(C)C)c(C)c2)cc1 2665808 ZWIRCHUALOMNGA-JJIBRWJFSA-N 476.580 6.489 50 10 JKGE CCCCOc1ccc(C(=O)NNC(=O)COc2ccccc2-c2ccccc2)cc1Br 14041233 ZBDOTADJDMXIQX-UHFFFAOYSA-N 497.389 5.135 50 10 JKGE COc1cc(/C=C(/C#N)c2ccccc2F)ccc1OC(=O)COc1ccc(Cl)cc1Cl 31901740 PJLZQHKLSFEKIF-YBEGLDIGSA-N 472.299 6.190 50 10 JKGE Cc1cccn2c(=O)c(/C=C(\C#N)C(=O)NC3CCCCC3)c(Oc3ccc(Cl)cc3Cl)nc12 33588011 FCQAGVWXTNSWGS-FOWTUZBSSA-N 497.382 5.458 50 10 JKGE Cc1c(F)cccc1N1C(=O)CS[C@@H]1c1cccc(NC(=O)[C@H](Cl)c2ccccc2)c1 35927646 GYCLLHIFKIZDCW-ISKFKSNPSA-N 454.954 5.831 50 10 JKGE Cc1ccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)[C@H](C)Oc4ccc(C(C)C)cc4)ccc32)cc1 38649298 NKCSOJYZVCDISD-UZTOHYMASA-N 468.553 5.710 50 10 JKGE Cc1c(C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@@H]3c2ccccc2F)oc2ccc(Cl)cc12 38687973 KCZXFDIJOOXOHH-HSZRJFAPSA-N 474.875 5.971 50 10 JKGE Cc1ccc(Oc2nc3c(C)cccn3c(=O)c2/C=C(/C#N)C(=O)Nc2ccc(Cl)cc2)cc1 39858550 KTAZIABFDRADHF-JXAWBTAJSA-N 470.916 5.303 50 10 JKGE COc1ccc(OCC(=O)N/N=C/c2ccc(OCc3c(Cl)cccc3Cl)c(OC)c2)cc1 40911587 QCZROAXNBHNIFC-UVHMKAGCSA-N 489.355 5.119 50 10 JKGE O=C(CCCSc1nnc(CCc2ccccc2)n1-c1ccccc1)N/N=C/c1ccccc1F 58989308 UKDODXDPSKSEPO-ZTKZIYFRSA-N 487.604 5.214 50 10 JKGE COc1cccc(NC(=O)/C(C#N)=C\c2cn(CC(=O)Nc3ccc(C)cc3)c3ccccc23)c1 96203389 AHIRQFAWVYKKTC-ZHZULCJRSA-N 464.525 5.143 50 10 JKGE CCC(CC)(CBr)COc1c(I)cc(Cl)c2cccnc12 96870044 RCNLFCXWDVZHEA-UHFFFAOYSA-N 482.587 6.073 50 10 JKGE O=C1OC(=O)[C@H]2[C@H]1[C@H]1C[C@H]2[C@@H]2[C@@H](c3cccc(Cl)c3Cl)c3sc(=S)[nH]c3S[C@@H]12 101202121 ORWDSNAGWAIDQX-VSGDTFOVSA-N 470.424 5.300 50 10 JKGE CC(C)OC(=O)c1ccc(N/C=C(/C#N)c2nc(-c3ccc(Br)cc3)cs2)cc1 102934435 AQOPJJBHGQSTQD-ATVHPVEESA-N 468.376 6.114 50 10 JKGE Cc1nnc(CCl)n1-c1sc(Br)cc1[C@@H](Br)c1ccccc1Cl 111881699 WSPXLMNFAZLDLW-AWEZNQCLSA-N 496.055 6.276 50 10 JKGE Fc1ccc(C[C@@H](CBr)c2cccc(Br)c2)cc1Br 118661343 KFMBUVXLEQFAJI-LBPRGKRZSA-N 450.971 6.072 50 10 JKGE Fc1ccc([C@@H](Br)c2cc(Cl)c(Br)s2)cc1C(F)(F)F 128144930 ZRECXLGGJFBEAS-SNVBAGLBSA-N 452.492 6.806 50 10 JKGE COc1cc(OC)c([C@@H](Cl)c2cc(Br)c(Br)s2)cc1OC 128288936 WOPGYWHOJAJWDB-CYBMUJFWSA-N 456.583 5.627 50 10 JKGE Cc1cc(Br)c([C@H](Br)c2cccc3ccccc23)cc1Br 128825988 QUDDJPCKLJCKHH-GOSISDBHSA-N 469.014 7.158 50 10 JKGE Cc1cc(Br)cc([C@@H](Br)c2ccc(Br)c3ccccc23)c1 132014559 LHQBRYADLOMSMX-GOSISDBHSA-N 469.014 7.158 50 10 JKGE CCCOc1ccc(-c2nn(-c3ccccc3)cc2/C=C2\C(=O)N([C@@H](C)CC)C(=O)C(C#N)=C2C)cc1 214257283 BQUVCYGWBPHZPY-WFSKJOQISA-N 494.595 5.719 50 10 JKGE CC[C@@H](NC(=O)/C(C#N)=C\NCc1cccc(Br)c1)c1ccc2c(c1)CCCC2 217193166 OIQRMJHYAPTJMG-LHBRDVBXSA-N 452.396 5.092 50 10 JKGE COc1c(C)cc([C@@H](Br)c2ccc(Br)cc2Br)cc1C 234919724 LCSPVJDVLRIXPM-OAHLLOKOSA-N 463.007 6.321 50 10 JKGE CCCCCOc1ccccc1CN1C(=O)C(=NNC(=O)COc2ccccc2C)c2ccccc21 245285104 VUZPDMYDAPATPX-UHFFFAOYSA-N 485.584 5.010 50 10 JKGE O=C(NN=Cc1ccc(Cl)cc1Cl)/C(=C/c1cccs1)NC(=O)c1ccccc1Cl 252593994 BOFZRIYDVPCKCS-ZBWJNADBSA-N 478.788 5.630 50 10 JKGE Clc1ccc([C@H](Cl)c2cc(I)cc3c2OCC3)c(Br)c1 380011324 RMNYCQMPLHMZHA-AWEZNQCLSA-N 483.958 5.970 50 10 JKGE C[C@@H]1CN(Cc2ccccc2)C[C@@H]1n1c(CCl)nc2cc(I)c(F)cc21 389790105 PBQSUDRYZSPLRK-YJYMSZOUSA-N 483.756 5.212 50 10 JKGE C[C@H](Cn1c(CCCl)nc2cc(I)c(F)cc21)N(C)Cc1ccccc1 390594113 TXFQKVBSWFWLAV-CQSZACIVSA-N 485.772 5.082 50 10 JKGE FC(F)C(F)(F)CC(CBr)(CBr)c1ccccc1Br 400650570 SWTDNBHSQYQJKJ-UHFFFAOYSA-N 470.924 5.767 50 10 JKGE CC(C)(C)[Si](C)(C)OCCN1CCNC[C@H]1c1cccc(CO[Si](C)(C)C(C)(C)C)c1 616635640 JASDJVIIPIUNGP-QHCPKHFHSA-N 464.843 6.177 50 10 JKGE CCOc1ccc([C@H](Br)Cc2ccccc2Br)c(Br)c1 692449604 VBGYCMMNEZVSAV-OAHLLOKOSA-N 463.007 6.289 50 10 JKGE CO[C@](C)(COCc1ccccc1)Cn1c(CCCl)nc2c(Br)cccc21 702784756 RNMQAEKOHQODMU-NRFANRHFSA-N 451.792 5.202 50 10 JKGE FC1(F)CCC[C@@H]1C[C@H](Br)c1cc(Br)sc1Br 713931098 NNIRTXSUSGMXHC-SVRRBLITSA-N 452.984 6.535 50 10 JKGE CCCCCOc1ccccc1C(=O)NN=Cc1cc(Br)cc(Br)c1O 1083928588 FDCATSMENUBSRU-UHFFFAOYSA-N 484.188 5.250 50 10 JKGE Cc1cccc(-n2c(C)cc(C=NNC(=O)CSCc3cccc(Br)c3)c2C)c1 1084028706 QTBZPDAFYPOFGV-UHFFFAOYSA-N 470.436 5.549 50 10 JKGE C=CCc1cc(C=NNC(=O)c2cc3ccccc3o2)cc(OC)c1OCc1cccc(F)c1 1084152643 FRUVMSGVBYSMBY-UHFFFAOYSA-N 458.489 5.652 50 10 JKGE Cc1cc(C=NNC(=O)CSCc2ccc([N+](=O)[O-])cc2)c(C)n1-c1ccc(Cl)c(Cl)c1 1084403661 OEYGSLOIWQSJHM-UHFFFAOYSA-N 491.400 5.693 50 10 JKGE Cc1ccc(NC(=O)c2oc3c(c2C)C(=NNC(=O)C(F)(F)C(F)(F)C(F)(F)F)CCC3)cc1 1772746811 HLEFQWPTAMVWIY-UHFFFAOYSA-N 493.379 5.138 50 10 JKGE Cc1c(C(=O)Nc2cccc(C(F)(F)F)c2)oc2c1C(=NNC(=O)Cc1ccccc1)CCC2 1772749567 WDYIQKNRJDDAJH-UHFFFAOYSA-N 469.463 5.258 50 10 JKGE N#CSc1ccc(NC(=O)Oc2cccc3c(NC(=O)c4ccc(F)cc4F)cccc23)cc1 1858779396 UPGKNGMICPDACC-UHFFFAOYSA-N 475.476 6.554 50 10 JKGE COc1ccc2ccccc2c1[C@@H]1C(C#N)=C(N)Oc2c1c(C(F)(F)F)nn2Cc1ccccc1 1865687848 BVGZNTDQNPYOTA-NRFANRHFSA-N 476.458 5.330 50 10 JKGE CCCCOc1ccc([C@H]2C(C#N)=C(N)Oc3c2c(C(F)(F)F)nn3-c2ccc(Cl)cc2)cc1 1865690280 NHERPGJFDVABFP-IBGZPJMESA-N 488.897 5.942 50 10 JKGE C=CCOc1ccccc1[C@H]1C(C#N)=C(N)Oc2c1c(C(F)(F)F)nn2-c1cccc(Cl)c1 1865691625 WXHGXLHJAIFVJO-SFHVURJKSA-N 472.854 5.327 50 10 JKGE CCc1nn(-c2ccc(C)cc2)c2c1[C@H](c1ccc(OCc3ccc(C)cc3)cc1)C(C#N)=C(N)O2 1865693266 MPVUJJYVVLGEAQ-HHHXNRCGSA-N 476.580 5.849 50 10 JKGE CCOc1ccc([C@H]2C(C#N)=C(N)Oc3c2c(-c2ccccc2)nn3-c2ccc(Cl)cc2)cc1 1865693917 MULWGTSBMOAXTH-QHCPKHFHSA-N 468.944 5.810 50 10 JKGE CCCOc1ccccc1[C@H]1C(C#N)=C(N)Oc2c1c(C(F)(F)F)nn2Cc1ccc(Cl)cc1 1865702810 FVIJNUQTTSPBDI-IBGZPJMESA-N 488.897 5.611 50 10 JKGE CCn1nc(C(F)(F)F)c2c1OC(N)=C(C#N)[C@H]2c1ccccc1OCc1ccc(Cl)cc1 1865703968 JRKWHCKUGGLFOS-GOSISDBHSA-N 474.870 5.372 50 10 JKGE CCCc1nn(Cc2cccc(F)c2)c2c1[C@@H](c1cccc(OCc3ccccc3)c1)C(C#N)=C(N)O2 1865712201 RZYFJKZFECYVKP-MHZLTWQESA-N 494.570 5.820 50 10 JKGE CCc1ccc(OCCCC(=O)NNC(=O)c2ccc(SCC(C)C)cc2)c(Br)c1 1865758053 HBNLOMBZEXNXOG-UHFFFAOYSA-N 493.467 5.380 50 10 JKGE COc1cc(/C(O)=C(\C#N)c2nc(-c3ccc(-c4ccccc4)cc3)cs2)cc(OC)c1OC 1872743574 BNLROYPEYHWZPZ-DAFNUICNSA-N 470.550 6.453 50 10 JKGE Cc1nc2ccc(/C(O)=C(\C#N)c3nc(-c4ccc(Cl)cc4Cl)cs3)cc2nc1C 1872745127 WXMOBOCHQOWLMF-PGMHBOJBSA-N 453.354 6.627 50 10 JKGE N#C/C(=C(/O)c1ccccc1I)c1nc(-c2ccc3c(c2)CCCC3)cs1 1872745510 QMOACIPTRRWRRS-UZYVYHOESA-N 484.362 6.243 50 10 JKGE CCOc1ccc(/C=C/C(O)=C(\C#N)c2nc(-c3ccc(OCC)cc3OCC)cs2)cc1 1872755435 NDBHPTCVXLHTFT-XHFMDJMCSA-N 462.571 6.512 50 10 JKGE COc1ccc(-c2csc(/C(C#N)=C(\O)c3ccccc3Br)n2)c2ccccc12 1872758751 OUHCEESQGGXAOV-PYCFMQQDSA-N 463.356 6.684 50 10 JKGE COc1ccc(-c2csc(/C(C#N)=C(\O)COc3ccc(C)cc3C)n2)c(OC)c1OC 1872759192 GYDNZYYSOJOHIZ-ZPHPHTNESA-N 452.532 5.324 50 10 JKGE COc1cc(/C=C(\C#N)c2nc(-c3ccc4c(c3)CCCC4)cs2)ccc1OCc1ccccc1 1872782737 RYPWQPYIZOBNFF-CVKSISIWSA-N 478.617 7.341 50 10 JKGE Cc1ccc(-c2csc(/C(C#N)=C/c3ccc(OCc4ccccc4Cl)cc3)n2)c(C)c1 1872790349 CCXQXTIEBDGOSS-HYARGMPZSA-N 456.998 7.724 50 10 JKGE CCCOc1c(Br)cc(/C=C(\C#N)c2nc(-c3ccc(F)c(F)c3)cs2)cc1OC 1872793160 LEHDDPGVMIQXFC-VIZOYTHASA-N 491.357 6.712 50 10 JKGE CC[C@@H](C)[C@H](/C(O)=C(\C#N)c1nc(-c2ccc(F)cc2F)cs1)N1C(=O)c2ccccc2C1=O 1872818052 KXBGCGPGXLIVQB-UVRAXHDWSA-N 479.508 5.592 50 10 JKGE Clc1csc(CC(CBr)(CBr)c2ccc(Br)cc2)n1 1888444546 ZXEFVVNBBLCAPR-UHFFFAOYSA-N 488.470 5.829 50 10 JKGE Clc1ccc(CC[C@@H](Br)COCc2ccccc2)c(I)c1 1889666871 NISIMXSCHXIJIA-OAHLLOKOSA-N 479.583 5.858 50 10 JKGE FC(F)C(F)(F)[C@H](Br)c1ccc(OCc2ccccc2)cc1Br 1899860352 OBWVIYSYDXBROT-CQSZACIVSA-N 456.071 6.365 50 10 JKGE CC[C@@H](Br)CN(Cc1ccccc1)Cc1cc(Br)cc2c1OCC2 1915128082 VKAPVUKJYLXMQI-GOSISDBHSA-N 453.218 5.560 50 10 JKGE Cl[C@@H](c1csc(I)c1)c1sc(Br)cc1Br 1922921259 PBPFWWMOWAOOPY-QMMMGPOBSA-N 498.430 6.267 50 10 JKGE Cc1cc(Br)ccc1[C@H](Cl)c1sc(Br)cc1Br 1922940283 KRLRCVMWOXDTOH-NSHDSACASA-N 459.428 6.672 50 10 JKGE Cc1c(Br)sc([C@H](Br)c2cccc(Cl)c2)c1Br 1922943985 XDRLQJWHIUVGAY-SNVBAGLBSA-N 459.428 6.719 50 10 JKGE Cc1c(Br)sc([C@H](Cl)c2cc3c(s2)CCSC3)c1Br 1922955390 YTBJCBMJYHDXKN-LLVKDONJSA-N 458.693 6.761 50 10 JKGE CCc1occ(C)c1[C@H](Cl)c1c(Br)sc(Br)c1Br 1924568750 KYQZNEQRTGGQPB-JTQLQIEISA-N 477.443 6.828 50 10 JKGE Cc1cc([C@@H](Cl)c2c(Br)sc(Br)c2Br)ccc1Cl 1924592364 YUJOASLCXHBDSL-SNVBAGLBSA-N 493.873 7.326 50 10 JKGE Clc1sc(Cl)c([C@@H](Br)c2ccccc2I)c1Cl 1925569202 QWUBGLYTKFUCIC-QMMMGPOBSA-N 482.395 6.797 50 10 JKGE Brc1csnc1[C@H](Br)c1cc(C2CC2)c(Br)s1 1945813162 ZRUDXSMMXUOPLC-SECBINFHSA-N 458.038 6.091 50 10 JKGE COc1sc([C@H](Br)c2cccc(I)c2)cc1Br 1946719755 CXYFOTYBQBXICW-LLVKDONJSA-N 487.982 5.608 50 10 JKGE Fc1cc(Cl)c(Br)cc1[C@@H](Br)c1ccsc1Br 1948519537 QYPMVKBKOIENMT-JTQLQIEISA-N 463.391 6.550 50 10 JKGE COCCCCN(Cc1ccccc1)c1cc(Br)cc(F)c1CBr 2004045933 QECBTWKRTHPGRH-UHFFFAOYSA-N 459.197 5.916 50 10 JKGE Cc1nn(-c2ccc(F)cc2)c(Cl)c1C=C(C#N)c1nc(O)c2c3c(sc2n1)C[C@@H](C)CC3 2040447408 SXQDLEQHMPLDCF-LBPRGKRZSA-N 479.968 5.873 50 10 JKGE CCc1nc([C@H](Br)Cc2ncccc2Br)c(Br)s1 2050330574 DYPCEUYALGXCNR-MRVPVSSYSA-N 455.013 5.304 50 10 JKGE Brc1cc(Br)c([C@H](Br)C2CC3(C2)CC32CCC2)s1 2063996000 DAOCHFHFNFYEAG-IYXOAMITSA-N 455.053 6.680 50 10 JKGE CO[C@@H]1C[C@H]([C@@H](Br)c2sc(Br)cc2Br)C12CCC2 2070182701 UMPDRRQTNVSMFA-BCMRRPTOSA-N 459.041 5.914 50 10 JKGE Fc1ccc(-n2nc(CCl)c(I)c2C(F)(F)F)c(C(F)(F)F)c1 2079210913 DOKBLBJQAQNVTO-UHFFFAOYSA-N 472.529 5.392 50 10 JKGE Cc1sc(Br)c([C@H](Br)c2cc(F)cc(Br)c2)c1C 2082884494 LRIRLSCHWYLQMC-GFCCVEGCSA-N 457.000 6.513 50 10 JKGE Cn1cc(Br)c(COc2c(Br)cc(Br)cc2CCl)n1 2087325607 QKRZBNOYSYPHJQ-UHFFFAOYSA-N 473.390 5.025 50 10 JKGE ClC[C@H](Cc1cccc(Br)c1Br)c1ccccc1Br 2092334038 FJHPQRWWVYUCRG-NSHDSACASA-N 467.426 6.539 50 10 JKGE Brc1ccc(Br)c([C@H](Br)[C@@]23CCCC[C@H]2OCC3)c1 2092627903 SQDPJFTZTNWMGV-QLFBSQMISA-N 453.012 5.997 50 10 JKGE CC(C)[C@@H](C)N(Cc1ccccc1)S(=O)(=O)c1cc(Br)cc(CCl)c1F 2095908725 ODECQLWYNAJROW-CQSZACIVSA-N 462.812 5.562 50 10 JKGE COc1cc(F)c(Br)cc1[C@@H](Br)c1scc(C)c1Br 2100814942 PPIRNINXHCJALL-GFCCVEGCSA-N 472.999 6.214 50 10 JKGE C[C@H](Cl)c1nc2cc(Br)c(Cl)cc2n1[C@@H]1CC[C@H]1OCc1ccccc1 2103806916 FCDNPWDDRGYSSS-OEPMTFCVSA-N 454.195 6.672 50 10 JKGE C[C@H](Cl)c1nc2cc(Br)c(Cl)cc2n1[C@@H]1CCN(Cc2ccccc2)C1 2103809398 GJLDVZZCJGSVCD-DZGCQCFKSA-N 453.211 6.199 50 10 JKGE Clc1cc(Br)ccc1CC[C@@H](Br)c1cccc(Br)c1 2113488890 IVXJVSQELOTKFL-CQSZACIVSA-N 467.426 6.934 50 10 JKGE Clc1ccc(I)c(C[C@@]2(CBr)CCCCC23CC3)c1 2117008567 UNACXCBRJNURLD-MRXNPFEDSA-N 453.589 6.223 50 10 JKGE BrCc1cc(Br)c(OCC2CC(C3CC3)C2)c(Br)c1 2120289253 UAKPWZVAPVWGLI-UHFFFAOYSA-N 453.012 5.922 50 10 JKGE Fc1ccc([C@H](Br)c2cc(Cl)c(F)cc2Cl)c(I)c1 2139426859 RFALWEFEAGXHFC-ZDUSSCGKSA-N 477.901 6.361 50 10 JKGE CCOc1ccc([C@@H](Cl)Cc2ccccc2I)cc1Br 2143869007 VCFNZDYDFQONJY-AWEZNQCLSA-N 465.556 5.975 50 10 JKGE CC1CCC(CBr)(NC(=O)c2cccc(Br)c2Br)CC1 2148771989 WBHJJRBVJCIBOY-UHFFFAOYSA-N 468.027 5.285 50 10 JKGE BrCc1cc(Br)cc(Br)c1OC[C@H]1CC12CCCCC2 2165702849 VOVFABOKVQUCPO-GFCCVEGCSA-N 467.039 6.456 50 10 JKGE Clc1cc(Br)cc(C[C@@H](CBr)Cc2ccc(Br)cc2)c1 2166831928 MDMSVMQXDOIBDF-ZDUSSCGKSA-N 481.453 6.661 50 10 JKGE CC[C@H](Br)[C@@H]1CCCCN1C(=O)c1c(Br)cccc1Br 2170604098 LFPXHAQHPFPCKI-GWCFXTLKSA-N 468.027 5.380 50 10 JKGE C[C@@H](Cl)CCCc1cn(-c2cc(Br)c(Br)c(Br)c2)nn1 2189276181 ARQXABNYKVRJKJ-MRVPVSSYSA-N 486.433 5.505 50 10 JKGE FC(F)(F)C1(Nc2ncc(I)cc2Br)CCC(Cl)CC1 2189907666 RWVGQLLPGJCKOG-UHFFFAOYSA-N 483.497 5.343 50 10 JKGE BrCc1cc(Br)cc(Br)c1OC[C@H]1CC12CCOCC2 2198158279 CBIDOFIXNJKJGC-LLVKDONJSA-N 469.011 5.302 50 10 JKGE COc1c(Cl)cc(Br)cc1[C@H](Br)c1cc(Cl)cc(Cl)c1 2203003516 NQFDARMQXRUYCU-CYBMUJFWSA-N 459.392 6.902 50 10 JKGE CC(C)(CBr)N(Cc1ccccc1)Cc1c(Br)sc2ccccc12 2213026661 DSLBZGHIFAFVSB-UHFFFAOYSA-N 467.270 6.840 50 10 JKGE CCN(C(=O)c1cc(Br)sc1Br)[C@@H]1CCC[C@H]1Br 2217693431 JTZAGVICPAFXAJ-RKDXNWHRSA-N 460.029 5.051 50 10 JKGE Cc1cc(Br)c([C@@H](Br)c2ccsc2Cl)c(C)c1Br 2220145365 JBRFTKLSPVSNJF-LBPRGKRZSA-N 473.455 7.028 50 10 JKGE Brc1ccsc1[C@H](Br)c1ccc2c(c1Br)CCO2 2222189369 NKFDGWXBWRJGBJ-GFCCVEGCSA-N 452.993 5.692 50 10 JKGE COc1ccc([C@@H](Cl)c2sc(Br)cc2Br)c(Br)c1 2223964014 OVCFZAVTSGPUKK-LLVKDONJSA-N 475.427 6.372 50 10 JKGE Fc1cc(Br)c(Br)cc1[C@H](Br)C[C@@H]1C[C@H]2CC[C@H]1C2 2225617906 WKXVWPWHULJUBK-QFOLPQNPSA-N 455.003 6.613 50 10 JKGE Cc1cc(Br)c([C@H](Br)C(F)(F)CC2CC2)c(C)c1Br 2227362444 NOJOCRNPXVQWOI-ZDUSSCGKSA-N 460.982 6.700 50 10 JKGE CCCCCCCCCCO[C@]1(CI)CCCN(C(=O)OC(C)(C)C)C1 2231031956 AYQFPNFVCRWDCB-NRFANRHFSA-N 481.459 6.348 50 10 JKGE CC12CC([C@@H](Br)c3c(Br)cc(Cl)c(Cl)c3Cl)(CCO1)C2 2232511277 JQPFNJDCZWIMTP-HSBZDZAISA-N 463.424 6.805 50 10 JKGE O=C(c1cc(Br)ccc1Br)N1CCC[C@@H](CCCBr)C1 2234183464 ZEVYZGHVXWIVTQ-LLVKDONJSA-N 468.027 5.239 50 10 JKGE FC(F)(F)Oc1ccc(Cl)cc1[C@@H](Br)c1cscc1OCc1ccccc1 2239624294 JNILZOIHRJGMAT-GOSISDBHSA-N 477.729 7.363 50 10 JKGE O=C(c1cc(Br)sc1Br)N1[C@H](CBr)C[C@H]2CCCC[C@H]21 2240727736 BLAYLBCQKGKVIR-WCABBAIRSA-N 486.067 5.441 50 10 JKGE CCN(C[C@@](C)(CBr)OCc1cccc(Br)c1C)C(=O)OC(C)(C)C 2256398560 MIHNQSNGTQSEOS-LJQANCHMSA-N 479.253 5.685 50 10 JKGE Cn1cc([C@@H](Cl)Cc2cc(Br)cc(Br)c2)c(Br)n1 2263512081 VRSDVKGTPHPZQY-NSHDSACASA-N 457.391 5.230 50 10 JKGE Clc1csc([C@@H](Br)c2cc3sc(Br)cc3s2)c1Cl 2263560223 PHTUUZFNTFPPSL-VIFPVBQESA-N 463.068 7.578 50 10 JKGE Cc1cc([C@H](Br)c2c(Br)cc(C)c(F)c2C)oc1Br 2264476695 RFPWBTOUBSIBPP-LBPRGKRZSA-N 454.959 6.353 50 10 JKGE CN(Cc1ccccc1I)c1cccc(Br)c1CBr 2265529881 LUTNKKBBCWCDFN-UHFFFAOYSA-N 494.996 5.585 50 10 JKGE Cc1cc(F)c(Br)cc1[C@@H](Br)c1ccc(F)c(Br)c1 2270426728 OKENCQJGYBVZQA-AWEZNQCLSA-N 454.934 6.283 50 10 JKGE FC1(F)CC[C@H]([C@@H](Br)c2c(Br)cc(Cl)c(Cl)c2Cl)C1 2277734108 KAAAUIYREZKFFH-SSDLBLMSSA-N 457.367 7.281 50 10 JKGE Clc1cccc([C@H](Br)Cc2cc(Br)cc(Br)c2)c1Cl 2277956573 SCCZOGOIAMOXBV-GFCCVEGCSA-N 487.844 7.197 50 10 JKGE Cc1cc(Br)c([C@@H](Br)c2cccc(Br)c2Cl)c(C)c1F 2279158433 SVSSFVHXVCVBIQ-ZDUSSCGKSA-N 485.416 7.105 50 10 JKGE Clc1cc([C@H](Cl)c2cccc(Cl)c2Br)c(Cl)c(Cl)c1Cl 2283200689 VDTGJZNIUJLQRX-SNVBAGLBSA-N 453.805 8.044 50 10 JKGE Clc1ccc([C@@H](Cl)c2ccc3c(c2Br)CCO3)cc1I 2283582630 KMRORVMCEIRYKI-OAHLLOKOSA-N 483.958 5.970 50 10 JKGE CCC[C@@H](CC(C)C)[C@@H](Br)c1c(F)cc(Br)c(F)c1Br 2288358269 VPYMUXANVSOMRE-TVQRCGJNSA-N 477.025 7.388 50 10 JKGE Fc1cc(Br)c(F)c(Br)c1[C@H](Br)[C@@H]1C[C@H]2CCCC[C@H]21 2288372914 CPOXEMXQOLJSKE-WBPNIITGSA-N 472.993 6.752 50 10 JKGE COc1c(C)cc(C)cc1[C@H](Cl)c1cc(I)ccc1Br 2295297216 URUNXBDNKGEUQB-OAHLLOKOSA-N 465.556 6.007 50 10 JKGE CCOc1cc(C=C(C#N)c2nc3ccccc3s2)ccc1OC(=O)c1cccc2ccccc12 2295459587 BHNXLOFJVDMOCX-UHFFFAOYSA-N 476.557 7.132 50 10 JKGE O=C(CCSc1ccc(Cl)cc1)NN=Cc1ccccc1OCc1ccc(Cl)cc1 2296645022 HFQGCZTWPXCJLK-UHFFFAOYSA-N 459.398 6.205 50 10 JKGE C[C@@H](COc1ccccc1)Cn1cc(C=C(C#N)C(=O)Nc2nc3ccccc3s2)c2ccccc21 2297500386 QMEOXNBTCDSPFJ-HXUWFJFHSA-N 492.604 6.512 50 10 JKGE Brc1cc(OCc2ccccc2)ccc1[C@H](Br)C1(CC2CCC2)CC1 2314444170 JYWNULKYJKSVLG-NRFANRHFSA-N 464.241 7.435 50 10 JKGE CCCOc1cccc(-c2nn(-c3ccccc3)cc2C=C2C(=O)N([C@H](C)CC)C(=O)C(C#N)=C2C)c1 2314610503 IWGJRVSCFHAHFO-HXUWFJFHSA-N 494.595 5.719 50 10 JKGE CCOC(=O)C(C#N)=Cc1ccc(OC(=O)CCCOc2ccc(C(C)(C)CC)cc2)c(OC)c1 2314808177 OQEGTQSSOLZWMH-UHFFFAOYSA-N 479.573 5.617 50 10 JKGE Clc1cc(I)c([C@H](Br)c2csc3c2CCCC3)s1 2316775112 PBGCQUKJNGJTQA-GFCCVEGCSA-N 473.626 6.431 50 10 JKGE CCN(CCC1(c2ccccc2)CCCCC1)C(=O)C(C#N)=Cc1ccc(OCCOC)cc1 2325118441 UKVDIEWMNXMHDO-UHFFFAOYSA-N 460.618 5.759 50 10 JKGE CC1(C)CC[C@H](Cc2ccc(I)c(Br)c2)[C@@H](Br)C1 2325175130 JPOIVQOZGMUFFM-YPMHNXCESA-N 486.029 6.186 50 10 JKGE C[C@@H](Br)C[C@@H]1CCCN1Cc1ccc(I)c(Br)c1 2325221084 DMNXYPMPVLJSCC-PWSUYJOCSA-N 487.017 5.192 50 10 JKGE CCCCOC(=O)c1ccccc1NC(=O)C(C#N)=CNc1ccc(C)cc1Br 2325311259 QIJAUXPEJANRIF-UHFFFAOYSA-N 456.340 5.173 50 10 JKGE Cc1c(OCc2cccc(CCl)c2)ccc2c1OC(=Cc1ccc(Br)cc1)C2=O 2325363387 MJGRYBKBPKEUCW-UHFFFAOYSA-N 469.762 6.692 50 10 JKGE N#CC(=C(O)Cc1ccc(OCc2ccccc2)cc1)c1nc(-c2cccc3ccccc23)cs1 2331337816 DIGPPTKCGLKGEI-UHFFFAOYSA-N 474.585 7.578 50 10 JKGE CCCCCCCOc1ccc(-c2csc(C(C#N)=C(O)c3cc([N+](=O)[O-])ccc3Cl)n2)cc1 2331346058 VOYDDLZQPOYEPT-UHFFFAOYSA-N 498.004 7.671 50 10 JKGE CCCCCCOc1ccc(C(O)=C(C#N)c2nc(-c3cc(C(C)C)c(OC)cc3C)cs2)cc1 2331353909 LQMJRFNFWBDFBY-UHFFFAOYSA-N 490.669 8.160 50 10 JKGE CCOc1cc(C=C(C#N)c2nc(-c3ccc4c(c3)OCO4)cs2)ccc1OCc1ccccc1C 2331454023 MZUINDQJMNURMY-UHFFFAOYSA-N 496.588 6.889 50 10 JKGE COc1c(C)cc(C)cc1-c1csc(C(C#N)=Cc2ccc(OCc3ccccc3C)cc2)n1 2331469947 PGNMVGFFDOCJNZ-UHFFFAOYSA-N 466.606 7.387 50 10 JKGE CCOc1ccc(C=C(C#N)c2nc(-c3cc(Cl)c(OC)c(Cl)c3)cs2)cc1OCC 2331480288 FHYIXJWVJYCBBU-UHFFFAOYSA-N 475.397 6.987 50 10 JKGE C[C@@H]1CCCC[C@H]1[C@@H](Br)c1c(Cl)cc(Br)c(F)c1Br 2337089770 DGPFKMDZWQBVSN-DNSOKLHBSA-N 477.437 7.266 50 10 JKGE Fc1cc(Br)c(Br)cc1[C@H](Br)C[C@H]1CC[C@@H]1C1CC1 2342171557 DBJFDCVGRQZAFY-CKYFFXLPSA-N 455.003 6.613 50 10 JKGE Cc1c(Br)ccc([C@H](Br)C[C@H]2CC[C@H]2C2CC2)c1Br 2342174285 SZOZGEAITSFDMR-TYNCELHUSA-N 451.040 6.782 50 10 JKGE Cc1cc(Br)c(C(C)C)cc1[C@@H](Br)c1csnc1Br 2352800702 YPBAUNQXBKFMTB-CYBMUJFWSA-N 468.052 6.584 50 10 JKGE O=S1(=O)CCC[C@H]([C@H](Br)c2c(F)cc(Cl)c(Br)c2Cl)C1 2360405032 DRIIUPXLUCPFMW-WKEGUHRASA-N 468.997 5.156 50 10 JKGE COc1cc([C@H](Br)c2csc3c(Br)cccc23)sc1Cl 2365828872 JRPYYRLJNLZJTO-GFCCVEGCSA-N 452.620 6.872 50 10 JKGE COc1cc([C@H](Cl)c2c(C)cc(Br)c(F)c2Br)sc1Cl 2365841198 UQPJTQVLAOCCJZ-NSHDSACASA-N 462.993 6.711 50 10 JKGE COc1ncc(Br)c(C)c1CC(CBr)(CBr)C1CCC1 2368137988 NKFNHAXSCVAJJE-UHFFFAOYSA-N 470.043 5.280 50 10 JKGE CC(C)(C)[C@@]1(CCl)CCN(Cc2ccc(I)c(Br)c2)C1 2377331658 KBFLCVQWTPTNIL-MRXNPFEDSA-N 470.620 5.531 50 10 JKGE CCOC(=O)c1c(NC(=O)/C(C#N)=C/c2ccc(Br)cc2)sc2c1CCCC2 14150968 PSDIAZVJYRVIJA-SDNWHVSQSA-N 459.365 5.112 50 10 JKGE CCCCCCOc1ccc(Br)cc1C(=O)NNC(=O)COc1ccc2ccccc2c1 14648281 IOVFBDDFJKVRLN-UHFFFAOYSA-N 499.405 5.401 50 10 JKGE CCOc1cc(/C=C(/C#N)c2nc3ccccc3s2)ccc1OCc1ccc(Br)cc1 33665269 HVXUJEJSVVSAHY-UYRXBGFRSA-N 491.410 7.101 50 10 JKGE CCCSc1ccc(-c2nn(-c3ccccc3)cc2/C=C2/C(=O)N(C)C(=O)C(C#N)=C2C)cc1 38602928 CKPHUZXTIVRYDO-HZHRSRAPSA-N 468.582 5.263 50 10 JKGE CCCOc1ccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)Cc4ccc(Cl)cc4)ccc32)cc1 38650728 GBYOMQULZKACNW-SANMLTNESA-N 474.944 5.495 50 10 JKGE N#CC1=C(N)Oc2cc(OC(=O)c3cccc4ccccc34)ccc2[C@@H]1c1c(Cl)cccc1Cl 38679860 VYUIZSDSIXFWPE-DEOSSOPVSA-N 487.342 6.584 50 10 JKGE CCCCOc1ccccc1C(=O)Oc1ccc2c(c1)OC(N)=C(C#N)[C@H]2c1cccc(OCC)c1 38685004 RZRTXBKVINEDDH-MHZLTWQESA-N 484.552 5.702 50 10 JKGE CCc1ccc(Oc2nc3c(C)cccn3c(=O)c2/C=C(/C#N)C(=O)Nc2ccccc2C)cc1 39858654 VDWJJXUGPDRPHC-PGMHBOJBSA-N 464.525 5.212 50 10 JKGE COc1ccc(Cl)cc1NC(=O)c1oc2c(c1C)/C(=N/NC(=O)c1cccc(C)c1)CCC2 40811311 HNEKZCMPDULJLN-MTDXEUNCSA-N 465.937 5.281 50 10 JKGE COc1ccc(C(=O)N/N=C2\CCCc3oc(C(=O)Oc4cccc5ccccc45)c(C)c32)cc1 40813885 RRPSBPMZGBMSEH-QUPMIFSKSA-N 468.509 5.439 50 10 JKGE CCOc1ccc([C@@H](O)CCC(=O)N/N=C/c2ccc(-c3ccc(Cl)c(Cl)c3)o2)cc1 58892756 CODKZLGVOUJWRH-WMPMWDHYSA-N 461.345 5.616 50 10 JKGE Cc1ccc(-n2nc(C)c(/C=N/NC(=O)CN(Cc3ccccc3)Cc3ccccc3)c2C)cc1C 59165481 GZFCIZFZXBFOOU-FDAWAROLSA-N 479.628 5.258 50 10 JKGE O=C(Cc1ccc([N+](=O)[O-])cc1)N/N=C/c1ccccc1Oc1ccc(C(F)(F)F)cc1[N+](=O)[O-] 59500344 XCBXYLHMOJCXND-LGJNPRDNSA-N 488.378 5.007 50 10 JKGE C[C@H]1COc2ccc([C@@H](Br)c3ccc(I)cc3)cc2OC1 70511383 FOKMDMRFFCLBCI-GTNSWQLSSA-N 459.121 5.183 50 10 JKGE Cl[C@H]1C[C@H](Oc2c(Br)cc(Br)cc2Br)C12CCCCC2 97646527 IVVOHPJHBGCBJN-STQMWFEESA-N 487.457 6.683 50 10 JKGE Cc1ccc([C@@H](C(=O)NC2CCC(C)CC2)N(CCc2ccccc2Cl)C(=O)CCl)cc1 97914733 YMFLZHWSIUHTQF-KRFYGZOHSA-N 475.460 5.695 50 10 JKGE CCCCCCCOc1ccc(C(=O)NNC(=O)CCCOc2ccc(Cl)cc2Cl)cc1 100153665 VCGKLBURWYPTSF-UHFFFAOYSA-N 481.420 5.963 50 10 JKGE Cc1c(C(=O)NN(c2ccccc2)c2ccccc2)oc2c1/C(=N\Nc1ccccc1)CC(C)(C)C2 101108983 IEGYUBGHBSXJDW-MKCFTUBBSA-N 478.596 6.860 50 10 JKGE Cc1ccc(-c2nn(-c3ccccc3)cc2/C=C(/C#N)C(=O)Nc2nonc2-c2ccc(C)cc2)cc1 102396453 ZSVQBEKLYDEVEO-KQWNVCNZSA-N 486.535 5.752 50 10 JKGE N#C/C(=C\c1ccc2c(c1)OCO2)c1nc(-c2cc3cc(Cl)cc(Cl)c3oc2=O)cs1 104975115 QVKBTTAIMIBSFR-QLKAYGNNSA-N 469.305 6.016 50 10 JKGE COc1cc(OC)c([C@H](Cl)c2cc(Br)sc2Br)cc1OC 109825408 OPPTXALKGJPXLN-ZDUSSCGKSA-N 456.583 5.627 50 10 JKGE COc1cc(Br)c([C@H](Cl)c2cc(Br)ccc2Br)cc1OC 161068797 WOXOGOLTENDENR-OAHLLOKOSA-N 499.424 6.320 50 10 JKGE O=C(Cc1ccccc1)N/N=C\c1ccc(N2N=C(c3ccccc3)C[C@H]2c2ccccc2)cc1 169901083 MXEXGBGWTOXZAH-BBZZDYRGSA-N 458.565 5.735 50 10 JKGE CCCCCCCCOc1ccc(/C=C2\C(=O)N(CCCC)C(=O)C(C#N)=C2C)cc1OC 214230177 GLEHAIPKLXYLMG-XLNRJJMWSA-N 452.595 5.827 50 10 JKGE Cc1ccc2nc(-c3ccc(N/C=C(/C#N)C(=O)Nc4ccc(C)c(Cl)c4)cc3)sc2c1 217020652 QHJRZXWRLNUOJD-JXAWBTAJSA-N 458.974 6.692 50 10 JKGE Fc1ccc(Br)c([C@@H](Br)c2cc(Br)cc3c2OCC3)c1 228442173 ICGDOTIYOUJASE-CQSZACIVSA-N 464.954 5.770 50 10 JKGE Cc1cc([C@H](Cl)c2ccc(I)c(Cl)c2)c(C)cc1Br 232344079 NTOOQAPGQUNQJC-OAHLLOKOSA-N 469.975 6.652 50 10 JKGE CCOc1ccc([C@@H](Cl)c2cc(Br)cc(Br)c2)cc1Br 233796224 YDHFHZUPZLMVIP-OAHLLOKOSA-N 483.425 6.701 50 10 JKGE CCOc1ccc([C@@H](Cl)c2ccc(F)cc2I)cc1Br 233798159 QIPNZPOHNIXLFO-OAHLLOKOSA-N 469.519 5.920 50 10 JKGE CC(=NNC(=O)c1cc(-c2cccs2)nc2ccccc12)c1ccc(NC(=O)c2cccnc2)cc1 252639996 YPEYBXPXTRGBHT-UHFFFAOYSA-N 491.576 5.765 50 10 JKGE CCCCCCCCCCCC(=O)NN=Cc1ccc(OC(=O)c2ccccc2)c(OCC)c1 254401927 ZKFYGALYXCHFTN-UHFFFAOYSA-N 466.622 6.676 50 10 JKGE Cc1cc(C=NNC(=O)c2cc3c(ccc4ccccc43)o2)c(C)n1-c1cccc(C(F)(F)F)c1 254837687 LTAWJWKSHNVNOO-UHFFFAOYSA-N 475.470 6.776 50 10 JKGE O=C(NN=Cc1cn(-c2ccccc2)nc1-c1ccc(OCc2ccccc2)cc1)c1ccc(O)cc1 254843280 JILHEIBEWFHVNM-UHFFFAOYSA-N 488.547 5.588 50 10 JKGE CCCCCC[C@@H](C)O[C@@]1(CI)CCCN(C(=O)OC(C)(C)C)C1 303741208 JRAWKJRLZYODDW-VQIMIIECSA-N 453.405 5.567 50 10 JKGE Fc1cccc([C@@H](Br)c2cc3c(cc2Br)OCC3)c1Br 308418037 QWEXZOHXOPRJOQ-CQSZACIVSA-N 464.954 5.770 50 10 JKGE C[C@H](COCc1ccccc1)n1c(CCCl)nc2cc(I)ccc21 390677040 YCBSESBLBADUIA-CQSZACIVSA-N 454.739 5.200 50 10 JKGE CCn1cc([C@@H](Cl)c2cc(Br)c(C)cc2Br)nc1Br 698371317 NOSJMQNHONOURU-LBPRGKRZSA-N 471.418 5.827 50 10 JKGE CO[C@@](C)(COCc1ccccc1)Cn1c(CCCl)nc2cc(I)ccc21 702782831 FTGKIKWVQGSDAW-OAQYLSRUSA-N 498.792 5.044 50 10 JKGE O=C(/C=C\c1cc(Br)ccc1OCc1ccccc1Cl)Oc1ccc([N+](=O)[O-])cc1 1082441846 CEMZPEJKCZQJCZ-XGICHPGQSA-N 488.721 6.209 50 10 JKGE O=C(NN=C1C(=O)N(Cc2c(Cl)cccc2Cl)c2ccccc21)c1cccc2ccccc12 1084413646 WZIMYVSKVPSGBI-UHFFFAOYSA-N 474.347 5.828 50 10 JKGE CC(=NNC(=O)[C@H](C)Sc1ccc(Cl)cc1)c1cccc(NC(=O)c2ccccc2)c1 1084619278 ZGSLHINJQMDHPI-KRWDZBQOSA-N 451.979 5.613 50 10 JKGE O=C(OCc1ccccc1)N1C[C@H](CCl)[C@H](c2cc(C(F)(F)F)cc(C(F)(F)F)c2)C1 1614613688 FYEUYEROESPXHA-YJBOKZPZSA-N 465.821 6.315 50 10 JKGE COc1ccc(/C(C#N)=C/c2ccc(OC(=O)c3cc4ccccc4oc3=O)c(OC)c2)cc1OC 1615066157 ZAKKRJNOSXDEPI-UDWIEESQSA-N 483.476 5.102 50 10 JKGE CCCCOc1ccc(NC(=O)c2oc3c(c2C)C(=NNC(=O)c2ccccc2)CCC3)cc1 1772744876 MPFIICVSVRLXGJ-UHFFFAOYSA-N 459.546 5.490 50 10 JKGE Cc1c(C(=O)N2c3ccc(F)cc3CC[C@@H]2C)oc2c1C(=NNC(=O)c1cccs1)CCC2 1772748945 HNMLJSXGDVZQTQ-AWEZNQCLSA-N 465.550 5.241 50 10 JKGE CCOc1cc(C=NNC(=O)CSc2nc3ccccc3s2)ccc1OCCc1ccccc1 1772760616 YMQTTYKRRBQKBL-UHFFFAOYSA-N 491.638 5.559 50 10 JKGE CC1(C)[C@@H](C(=O)O[C@@H](C#N)c2cccc(Oc3ccccc3)c2)[C@H]1C[C@H](Cl)C(F)(F)F 1848437154 IAUVWGRLHYJZGL-FUMNGEBKSA-N 451.872 6.419 50 10 JKGE N#CC1=C(N)Oc2c(c(-c3ccccc3)nn2-c2ccc(Cl)c(Cl)c2)[C@H]1c1ccccc1F 1865681254 IURBXWISZJTGOE-NRFANRHFSA-N 477.326 6.203 50 10 JKGE COc1ccc(-c2nn(Cc3ccc(F)cc3)c3c2[C@H](c2ccc(C(C)C)cc2)C(C#N)=C(N)O3)cc1 1865685127 FYYJEYNKFWLDCR-AREMUKBSSA-N 494.570 6.088 50 10 JKGE Cc1nn(Cc2ccc(Cl)c(Cl)c2)c2c1[C@H](c1c(Cl)cccc1Cl)C(C#N)=C(N)O2 1865686114 QVKMJLMYIRTGOG-GOSISDBHSA-N 480.182 6.072 50 10 JKGE N#CC1=C(N)Oc2c(c(C(F)(F)F)nn2-c2cccc3ccccc23)[C@@H]1c1ccccc1Cl 1865686596 YBPXEJZFQZKYPB-LJQANCHMSA-N 466.850 5.916 50 10 JKGE COc1cc([C@H]2C(C#N)=C(N)Oc3c2c(C)nn3Cc2ccccc2)ccc1OCc1ccccc1 1865686845 CGTYSIQYABAUQJ-MHZLTWQESA-N 478.552 5.046 50 10 JKGE C=CCOc1ccccc1[C@H]1C(C#N)=C(N)Oc2c1c(CCC)nn2-c1ccc(Br)cc1 1865691483 TYSQIGXVHVFAIO-QFIPXVFZSA-N 491.389 5.370 50 10 JKGE CCCn1nc(-c2ccc(OC)cc2)c2c1OC(N)=C(C#N)[C@H]2c1cc(Br)ccc1F 1865701695 BYGHMRWGFCONCN-LJQANCHMSA-N 483.341 5.088 50 10 JKGE CCCc1nn(CC)c2c1[C@H](c1ccc(OCc3ccccc3C)c(OCC)c1)C(C#N)=C(N)O2 1865703666 YPMWUIJURRSDHG-RUZDIDTESA-N 472.589 5.360 50 10 JKGE Cc1nc(-c2ccc(Cl)cc2Cl)ccc1C(=O)NNC(=O)/C=C/c1cccc(OC(C)C)c1 1865759749 QDCVOXSWNRUMRY-KPKJPENVSA-N 484.383 5.625 50 10 JKGE Cc1nc(-c2ccc(Cl)cc2Cl)ccc1C(=O)NNC(=O)c1ccccc1Br 1865759838 UTAFDIXGUOGMKJ-UHFFFAOYSA-N 479.161 5.201 50 10 JKGE CCCOc1ccc(/C=N\NC(=O)c2ccc(-c3ccc(F)c(F)c3)nc2C)cc1OCC 1865762013 IPYBSKDDPYSFPZ-MBTHVWNTSA-N 453.489 5.287 50 10 JKGE COC(=O)c1c(NC(=O)/C(C#N)=C/c2ccc(C)cc2)sc(C)c1-c1ccc(Br)cc1 1866127120 JJTDYMWZTOTDSL-LDADJPATSA-N 495.398 6.127 50 10 JKGE CCCC[C@@H](NC(=O)[C@H](Cc1ccccn1)c1ccccc1)C(=O)Nc1ccc(SC#N)cc1 1866695712 KEYCZJFPSGEPMS-JWQCQUIFSA-N 472.614 5.295 50 10 JKGE CCOc1ccc(-c2csc(/C(C#N)=C(\O)c3ccccc3C(=O)c3ccccc3)n2)cc1 1872747606 LFXXUOVFARXFCN-RWEWTDSWSA-N 452.535 6.390 50 10 JKGE COc1ccc(C(C)(C)C)cc1-c1csc(/C(C#N)=C(\O)c2cc(Cl)ccc2Cl)n1 1872751625 QDDASYBHDKQIPY-FXBPSFAMSA-N 459.398 7.373 50 10 JKGE Cc1cc(C)c(C)c(-c2csc(/C(C#N)=C(\O)CNC(=O)c3ccc(Cl)cc3)n2)c1C 1872754469 UMIWOHGCVZKNEX-VZCXRCSSSA-N 451.979 5.920 50 10 JKGE COc1cc(/C=C(\C#N)c2nc(-c3ccc(F)c(C)c3)cs2)ccc1OCCN1CCOCC1 1872791138 XVXGYZHZVQLROO-KGENOOAVSA-N 479.577 5.041 50 10 JKGE CCCCCCCOc1ccc(-c2csc(/C(C#N)=C/c3c(OC)ccc4ccccc34)n2)cc1 1872791618 OIPQFGLSTVHDHK-LYBHJNIJSA-N 482.649 8.385 50 10 JKGE CCOc1c(Br)cc(/C=C(\C#N)c2nc(-c3cc(C)c(OC)cc3C)cs2)cc1OC 1872794576 JWSBHLFJPNIQDU-RQZCQDPDSA-N 499.430 6.670 50 10 JKGE C[C@@H](c1ccccc1)N1C[C@H](/C(O)=C(\C#N)c2nc(-c3ccc4ccccc4c3)cs2)CC1=O 1873941124 XQXCVIUODPNULK-TVHZHOFLSA-N 465.578 6.366 50 10 JKGE CCc1nn(C)c(C[C@H](Br)c2ccccc2Br)c1Br 1877163624 SLNFPJLLJJJHLR-NSHDSACASA-N 451.000 5.186 50 10 JKGE Cc1nn(C)c([C@H](Br)c2ccc(F)c(Br)c2F)c1Br 1877180568 GLAXXSVLAJQLDN-SECBINFHSA-N 458.926 5.016 50 10 JKGE CCc1nn(C)c([C@H](Cl)c2c(Cl)sc(Br)c2Cl)c1Br 1877188423 QAPKIHLLZSFZBM-SSDOTTSWSA-N 467.441 6.204 50 10 JKGE BrCc1cc(Br)c(OC[C@@]23CCCC[C@H]2C3)c(Br)c1 1880373386 APTYPRIQWZTNKX-NHYWBVRUSA-N 453.012 6.066 50 10 JKGE Cc1cc(Br)c(C(=O)N(C)CC2CC(Br)C2)cc1NC(=O)OC(C)(C)C 1887830587 ZQJUPENROGDOMD-UHFFFAOYSA-N 490.236 5.350 50 10 JKGE FC(F)(F)CC[C@@H](Br)c1ccc(OCc2ccccc2)cc1Br 1899857323 ATHPAUHSGSTUEK-OAHLLOKOSA-N 452.108 6.807 50 10 JKGE CC(C)[C@H](CBr)N(Cc1ccccc1)C(=O)c1ccc(OCc2ccccc2)cc1 1915259025 GAYUEVUHILVZNN-VWLOTQADSA-N 466.419 6.328 50 10 JKGE CC(C)[C@@H](CCl)N(Cc1ccccc1)S(=O)(=O)c1ccc(Br)cc1Cl 1915272305 WMJNTRNZZOAAPK-QGZVFWFLSA-N 465.240 5.557 50 10 JKGE CC1(C)C[C@@H](N(Cc2ccccc2)c2cc(Br)ccc2CBr)CO1 1915487378 STPCTJJQUGCMHS-GOSISDBHSA-N 453.218 5.918 50 10 JKGE CN(C[C@@H](Cl)COCc1ccccc1)C(=O)c1csc(Br)c1Br 1916342734 PPAHGBBVWUZEPV-GFCCVEGCSA-N 481.637 5.169 50 10 JKGE CN(C[C@@H](Cl)COCc1ccccc1)C(=O)c1ccc(Br)cc1C(F)(F)F 1916370070 PFEMIMRILSCOQI-OAHLLOKOSA-N 464.709 5.364 50 10 JKGE Cc1c(Br)sc([C@H](Br)[C@@H]2C[C@@H]3O[C@H]2[C@H]2C[C@@H]32)c1Br 1922921296 PLEICGJXKACFQF-BGMXWBIBSA-N 457.025 5.441 50 10 JKGE COc1ccc([C@@H](Br)c2c(Br)sc(Br)c2Cl)cc1 1923040203 SVTCFLCZBIZDNV-SECBINFHSA-N 475.427 6.419 50 10 JKGE C[C@@H]([C@H](Cl)c1c(Br)sc(Br)c1Br)[C@H]1CCCO1 1924615236 YBOXPWHZWLGIMV-KCRUCZTKSA-N 467.448 6.131 50 10 JKGE BrCC(CBr)(Cc1ccc(Br)cc1Br)C1CC1 1943843938 IQJHBQZMNOHLNE-UHFFFAOYSA-N 489.871 5.940 50 10 JKGE CC(C)[C@@H](C)N(Cc1ccccc1)S(=O)(=O)c1cc(CBr)sc1Br 2009622202 OETMSMCURTUVGW-CYBMUJFWSA-N 495.302 5.641 50 10 JKGE Cc1cc([C@H](Br)c2cc(Cl)sc2Cl)ccc1I 2026134348 ZXGFVRPQBSTHSB-NSHDSACASA-N 461.977 6.452 50 10 JKGE CCc1cc(Br)c([C@H](Br)c2ccc(Br)cc2F)s1 2029232528 JNVQBEOWGACXCE-GFCCVEGCSA-N 457.000 6.459 50 10 JKGE C[C@H](Sc1nn(-c2ccc(Cl)cc2)c(=S)s1)C(=O)C(C#N)=C1Nc2ccccc2S1 2040425917 HOOSTRWUNPNIPD-NSHDSACASA-N 489.072 6.319 50 10 JKGE Cc1c(Br)sc([C@H](Br)[C@]23COC[C@@H]2C3(F)F)c1Br 2043521474 RANFAUGPVZUMDY-MAHGNNSGSA-N 466.967 5.299 50 10 JKGE Clc1cccc(Br)c1[C@@H](Br)Cc1ncccc1Br 2050316262 GNDPJCDUILXSMA-JTQLQIEISA-N 454.387 5.939 50 10 JKGE Cc1nc([C@@H](Br)c2cc(C3CC3)c(Br)s2)c(Br)s1 2050335473 QZRYOOKECWQWJF-VIFPVBQESA-N 472.065 6.400 50 10 JKGE CC1(C)CC[C@@H](NCCSSCCNC(=O)OC(C)(C)C)[C@H](CNC(=O)OC(C)(C)C)C1 2061269956 INZIYBPWRHBQKH-ZWKOTPCHSA-N 491.764 5.202 50 10 JKGE Cc1cc([C@H](Br)c2cc(Br)c3c(c2)CCO3)sc1Br 2090462372 YTRNGRRDBNDYQB-GFCCVEGCSA-N 467.020 6.001 50 10 JKGE O=C(c1scc(Br)c1Br)N1CCC[C@H](CCBr)CC1 2093316365 ZSAZILNADFFBTJ-SECBINFHSA-N 474.056 5.300 50 10 JKGE CCc1nn(-c2cccc(Cl)c2CBr)c(CC)c1I 2093915191 IFUAYYMSVUWKDP-UHFFFAOYSA-N 453.549 5.150 50 10 JKGE C[C@@H](CCOCc1ccccc1)n1c([C@@H](C)Cl)nc2cc(Br)c(Cl)cc21 2103815897 QZJSIWTXXRSNJZ-UONOGXRCSA-N 456.211 6.920 50 10 JKGE Cc1cc(Br)c([C@H](Br)C2CC(C(C)(C)C)C2)cc1Br 2104972334 MHPXPTMZBORDQZ-QKFMDRJYSA-N 453.056 7.028 50 10 JKGE Brc1cc([C@@H](Br)[C@@H]2CC3(CCCCC3)CO2)c(Br)s1 2109978341 DDUAHSSBLDNUJX-CMPLNLGQSA-N 473.068 6.449 50 10 JKGE Clc1ccc(I)c(CC[C@H](Br)c2ccccc2Cl)c1 2113480328 AYKQDHAOVMKTQB-ZDUSSCGKSA-N 469.975 6.667 50 10 JKGE CC[C@H](Br)[C@@H]1CCCCN1C(=O)c1csc(Br)c1Br 2114191772 DBUNGWIHMYUKSK-UWVGGRQHSA-N 474.056 5.441 50 10 JKGE Cc1cc(C)c([C@@H](Br)c2cn(C)nc2Br)c(C)c1Br 2116555734 VVBZQBPVEUAKCC-ZDUSSCGKSA-N 451.000 5.355 50 10 JKGE Cl[C@H](c1c(Br)sc(Br)c1Br)[C@H]1C[C@@H]1C1CCCCC1 2135272814 JRRHHVJVACOALG-PTRXPTGYSA-N 491.514 7.532 50 10 JKGE COc1c(Br)cc(C)cc1[C@@H](Cl)c1cc(Br)sc1Br 2139016343 DQLCCQOKJCTDGW-LLVKDONJSA-N 489.454 6.681 50 10 JKGE Brc1cc([C@H](Br)c2ccc(-c3cccs3)s2)sc1Br 2140981682 XRROIPPACFVOJO-GFCCVEGCSA-N 499.112 7.547 50 10 JKGE CCCOc1ccc([C@@H](Br)c2cc(Br)n(C)n2)cc1Br 2150479118 SLBORKCUBPZYHF-CQSZACIVSA-N 466.999 5.218 50 10 JKGE BrCc1cc(Br)c(OC[C@]23CCC[C@@H]2CCO3)c(Br)c1 2152940219 BMNZHRJBAORLNK-IAQYHMDHSA-N 469.011 5.445 50 10 JKGE CC1(C)C[C@H](n2c(CCl)nc3ccc(F)c(Br)c32)[C@H]1OCc1ccccc1 2156372555 GMYITNYTMLUBAG-OXJNMPFZSA-N 451.767 6.233 50 10 JKGE CC(C)(C)OC(=O)N1CCN(CC2(CBr)CCCCC2)C[C@H]1CC(F)(F)F 2176102445 IDONDNJCTOGARO-OAHLLOKOSA-N 457.375 5.206 50 10 JKGE CCn1cc(Br)c([C@H](Br)c2cc(Br)c(OC)cc2C)n1 2198733234 UAOQJLSNIXMAEG-CYBMUJFWSA-N 466.999 5.229 50 10 JKGE Fc1cc(Br)c([C@H](Br)c2cc(Cl)ccc2Cl)c(F)c1Cl 2201618797 LERGOKAYVVHCGQ-LLVKDONJSA-N 465.346 7.172 50 10 JKGE COc1ccc([C@@H](Br)c2ccc(Br)c(C)c2Br)c(Cl)c1 2203707268 VBFBIXGPFOBKHO-OAHLLOKOSA-N 483.425 6.666 50 10 JKGE Cc1c(Br)sc([C@@H](Br)c2ccc(OCc3ccccc3)cc2)c1C 2213632142 YCBUFUCYQRXIHC-SFHVURJKSA-N 466.238 7.191 50 10 JKGE Brc1cc([C@@H](Br)c2ccc3c(c2Br)CCO3)cs1 2222189149 MHCVCGAWXKQRGC-GFCCVEGCSA-N 452.993 5.692 50 10 JKGE C[C@@H]1C[C@H]([C@@H](Br)c2c(Br)cc(Cl)c(Cl)c2Cl)[C@@H](C)O1 2224316747 HKMUTFNPIKGUGC-FHZUQPTBSA-N 451.413 6.659 50 10 JKGE CCCOc1ccc(CBr)c(OC[C@H]2CC2(Br)Br)c1 2224800413 HHZMAHIMTSUWNE-LLVKDONJSA-N 457.000 5.255 50 10 JKGE Cc1cc(Br)c([C@H](Br)[C@H]2CCC[C@H](F)C2)c(C)c1Br 2227369982 OVTQQRDNIMJZDO-ZIBATOQPSA-N 457.019 6.793 50 10 JKGE Cc1ccc(I)c([C@@H](Br)Cc2cc(Cl)cc(Cl)c2)c1 2232183672 PPVLFRVNELRKDB-AWEZNQCLSA-N 469.975 6.585 50 10 JKGE C[C@H](Cl)c1nc2ccc(F)c(Br)c2n1C[C@H]1CC1(Br)Br 2233039015 JGLMINANAPHLQQ-NKWVEPMBSA-N 489.408 5.744 50 10 JKGE C[C@@H](Cl)c1nc2cc(Br)c(Br)cc2n1-c1cscc1Br 2234068341 OXQAWRSPCSDJIT-ZCFIWIBFSA-N 499.453 6.674 50 10 JKGE Cc1cc(Br)c([C@@H](Br)C2(CC3CC3)CCC2)c(C)c1Br 2235607708 GZDVCNFEXOYDMS-MRXNPFEDSA-N 465.067 7.235 50 10 JKGE Fc1cc(F)c([C@H](Br)c2ccc(Cl)cc2Br)c(F)c1Br 2236111099 SURDYAJDRMLYJD-LLVKDONJSA-N 493.342 6.767 50 10 JKGE O=[N+]([O-])c1ccc(C[C@H](Br)c2csc(Br)c2Br)c(F)c1 2237452790 IFMFOWRBEWIFKR-VIFPVBQESA-N 487.970 5.999 50 10 JKGE O=C(c1cc(F)c(Br)cc1F)N(Cc1ccccc1)[C@H](CBr)C1CC1 2255882001 HHCBGADMNRBLJY-GOSISDBHSA-N 473.155 5.543 50 10 JKGE Fc1cc(Br)c(F)c(Br)c1[C@@H](Br)c1csc(Cl)c1 2260000424 CJDQNKCWXVHWJR-VIFPVBQESA-N 481.381 6.689 50 10 JKGE COc1c(C)cc(Br)cc1[C@H](Br)c1scc(Br)c1Cl 2264605631 QXCVIQVIIMIZJC-JTQLQIEISA-N 489.454 6.728 50 10 JKGE CN(Cc1ccccc1I)c1ccc(Br)cc1CCl 2265531251 VRBULGAUBMOSCA-UHFFFAOYSA-N 450.545 5.429 50 10 JKGE COc1cc(C)c(Br)c(C)c1[C@H](Br)c1ccc(Br)o1 2269606363 ZTPXZZDKWRZCNN-CQSZACIVSA-N 452.968 5.914 50 10 JKGE Cc1cc(Br)c([C@H](Br)[C@H]2CCC[C@H]2C(F)F)cc1Br 2270153148 BJGHTPUYZRTAKR-IGJMFERPSA-N 460.982 6.637 50 10 JKGE C[C@H](Br)CN(Cc1c(Br)cccc1Br)CC(C)(C)C 2272538238 YNFWTIJACVPWDP-NSHDSACASA-N 456.060 5.843 50 10 JKGE Fc1cc(Br)c(F)c(C[C@@H](Br)c2cccc(Br)c2)c1 2272717397 LEHJLJYWMLIFHH-GFCCVEGCSA-N 454.934 6.169 50 10 JKGE CCc1cc(C)sc1[C@@H](Br)Cc1cc(Br)cc(Br)c1 2277891803 LJSQPILVVWQOAR-AWEZNQCLSA-N 467.064 6.823 50 10 JKGE Clc1cc([C@@H](Cl)c2cccc(Cl)c2Br)c(Cl)c(Cl)c1Cl 2283200688 VDTGJZNIUJLQRX-JTQLQIEISA-N 453.805 8.044 50 10 JKGE Clc1ccc([C@@H](Cl)c2ccc(-c3cccs3)s2)cc1I 2283568827 RRJGWNNXULHMNV-OAHLLOKOSA-N 451.181 7.063 50 10 JKGE Fc1cc(Br)c(F)c(Br)c1[C@@H](Br)C(F)(F)[C@@H]1CCOC1 2288364656 UHPBQPCWEKYJAS-BLTYZCFWSA-N 484.907 5.598 50 10 JKGE Fc1cc(Br)c(F)c(Br)c1[C@@H](Br)CC1CCCCCC1 2288372679 ARNMRFAUVGGQNK-JTQLQIEISA-N 475.009 7.286 50 10 JKGE Cc1cc(C=C(C#N)C(=O)Nc2ccc(Br)cc2)c(C)n1-c1ccc2c(c1)OCO2 2294581380 NMBMBLYHZSKROV-UHFFFAOYSA-N 464.319 5.131 50 10 JKGE COc1c(Br)cc(Cl)c(C)c1[C@@H](Br)c1cn(C)c(Br)n1 2295363402 VOJPISVEBZNZBS-NSHDSACASA-N 487.417 5.400 50 10 JKGE Cc1cc(-c2nn(-c3ccccc3)cc2C=C(C#N)C(=O)NC[C@H]2CCCO2)ccc1OCCC(C)C 2296539373 RLJJPSYUXMVODY-HHHXNRCGSA-N 498.627 5.475 50 10 JKGE CCCOc1ccc(-c2nn(-c3ccccc3)cc2C=C(C#N)C(=O)N2CCCCC2)c(C)c1 2296707836 QHZGUJUZEWQIOK-UHFFFAOYSA-N 454.574 5.556 50 10 JKGE Cc1cc(OCCn2cc(C=C(C#N)C(=O)NC3CCCCC3)c3ccccc32)ccc1Cl 2296806900 FEEZTTBUJAGFFQ-UHFFFAOYSA-N 461.993 6.038 50 10 JKGE CCOC(=O)c1ccc(-c2ccc(C=C(C#N)C(=O)Nc3sc(C)c(C)c3C(=O)OCC)o2)cc1 2296833336 YCPPRWCQTICVEH-UHFFFAOYSA-N 492.553 5.524 50 10 JKGE COc1ccccc1NC(=O)COc1ccc(Cl)cc1C=C(C#N)c1ccc([N+](=O)[O-])cc1 2297372687 RWLKFUPMPLPPRR-UHFFFAOYSA-N 463.877 5.338 50 10 JKGE CCOc1cc(C=C(C#N)C(=O)Nc2nc3ccccc3s2)ccc1OCc1ccc(F)cc1 2297500331 BWKGOIMCGRTBPM-UHFFFAOYSA-N 473.529 5.959 50 10 JKGE CC(F)(F)C(C)(C)[C@@H](Br)c1ccc(OCc2ccccc2)cc1Br 2299504565 OHJNOYWSDLRPMW-KRWDZBQOSA-N 462.172 7.146 50 10 JKGE FC(F)[C@@H]1CCC[C@@H]1[C@@H](Br)c1cc(Br)ccc1OCc1ccccc1 2314441912 CYDGTLMPEAFXCP-FRQCXROJSA-N 474.183 7.146 50 10 JKGE Cc1ccc(N2C(=O)[C@H](Cc3ccccc3Cl)SC2=C(C#N)C(=O)NCc2ccco2)cc1C 2314593698 RHQBRWXZZJENAW-QHCPKHFHSA-N 492.000 5.293 50 10 JKGE CC[C@@H](C)N1C(=O)C(=Cc2cn(-c3ccccc3)nc2-c2ccc(OC)cc2C)C(C)=C(C#N)C1=O 2314611125 RBFSWNLQHMDUDH-LJQANCHMSA-N 480.568 5.247 50 10 JKGE CC(C)(C)CC[C@H](Br)c1c(Cl)cc(Br)c(F)c1Br 2315457280 AYJSBTYCGWMHMA-ZETCQYMHSA-N 465.426 7.266 50 10 JKGE Fc1cc(Br)c([C@@H](Br)c2cnsc2Br)c(F)c1F 2315617107 NEBKVZIZEHKJHH-ZETCQYMHSA-N 465.914 5.570 50 10 JKGE COc1cc(Cl)c([C@@H](Br)c2cnsc2Br)cc1Br 2315645465 QDICMYVWTAHWKK-SNVBAGLBSA-N 476.415 5.814 50 10 JKGE CC(C)(C)[C@@H](C[C@@H](Br)c1sc(Cl)cc1I)C(F)F 2316601080 ORBQWQWNHSQVKX-NKWVEPMBSA-N 471.576 6.760 50 10 JKGE CC(C)(C)OC(=O)N1C[C@H](Br)[C@@H](OCCCc2cc(Cl)cc(Cl)c2)C1 2318688661 UZSCDMICCCOHPP-HOTGVXAUSA-N 453.204 5.325 50 10 JKGE COc1ccc(-c2ccc(C(=O)NNC(=O)C=Cc3ccc(OCc4ccccc4)cc3)c(C)n2)cc1 2321076004 NNVGAGZNPGNODD-UHFFFAOYSA-N 493.563 5.119 50 10 JKGE CN(Cc1ccc(I)c(Br)c1)C1(CBr)CCCC1 2325228801 FVTVYCCBFOKXTA-UHFFFAOYSA-N 487.017 5.193 50 10 JKGE N#CC(=C(O)c1ccccc1I)c1nc(-c2cccc(Cl)c2)cs1 2331295723 WTYOTIIFHCRWAM-UHFFFAOYSA-N 464.715 6.018 50 10 JKGE CC[C@@H](C)N1C(=O)c2ccc(C(O)=C(C#N)c3nc(-c4cccc5ccccc45)cs3)cc2C1=O 2331339041 AUVQXVNZRDPARC-MRXNPFEDSA-N 479.561 6.308 50 10 JKGE COc1ccc(C=CC(O)=C(C#N)c2nc(-c3cc(OC)c(Cl)cc3OC)cs2)c(OC)c1 2331377014 XSMDOWGLMPUPGS-UHFFFAOYSA-N 484.961 6.004 50 10 JKGE COc1cc(C)c(-c2csc(C(C#N)=C(O)[C@H](C)Oc3ccc(Cl)cc3Cl)n2)cc1C 2331402964 MHRZXUMVGNAVMX-AWEZNQCLSA-N 475.397 7.003 50 10 JKGE N#CC(=Cc1ccc(OCc2ccc(Cl)cc2Cl)cc1)c1nc(-c2ccc(F)cc2F)cs1 2331437970 ZUMZZCAJVLKIRI-UHFFFAOYSA-N 499.369 8.038 50 10 JKGE Clc1ccc(C[C@H]2CCCCCCC[C@@H]2Br)cc1I 2337277730 XPHNGYFHIWIHIY-KGLIPLIRSA-N 455.605 6.611 50 10 JKGE CCCc1sc(Br)cc1[C@H](Br)c1nn(C)c(Br)c1C 2338028481 WGURADGMXKHBQR-NSHDSACASA-N 471.056 5.752 50 10 JKGE COc1ccc(Cl)cc1[C@H](Br)c1ccc(Cl)cc1I 2340063096 HEFVSXCRIBQVQZ-CQSZACIVSA-N 471.947 6.091 50 10 JKGE Clc1cc(Cl)cc(CC[C@H](Br)c2scc(Br)c2Cl)c1 2341190621 RCKQGDNVDVZDKF-JTQLQIEISA-N 463.449 7.540 50 10 JKGE Fc1cc([C@@H](Br)c2c(Cl)sc(Br)c2Cl)c(Cl)cc1Cl 2351642661 PIEDMUJHKKMWRH-MRVPVSSYSA-N 487.830 7.748 50 10 JKGE Fc1cc(Br)c(Br)cc1[C@H](Br)[C@H]1CC[C@@H]2[C@H](C1)C2(F)F 2358562238 SJRBWZBLZDVHOD-VPFIQFBESA-N 476.956 6.468 50 10 JKGE Fc1c(Br)cc(Cl)c([C@H](Br)[C@@H]2C[C@H]3O[C@H]2[C@H]2C[C@@H]23)c1Br 2362226865 XIRSGOMNPFKAMC-SIFFTZHVSA-N 489.404 5.864 50 10 JKGE Fc1c(Br)cc(Cl)c([C@@H](Cl)C2CC(C(F)(F)F)C2)c1Br 2362230848 BPYOJFKFGIPGCH-BNKMTRCXSA-N 458.902 6.873 50 10 JKGE CCCC[C@H](C)CC[C@H](Br)c1c(Cl)cc(Br)c(F)c1Br 2362232125 KAUDVUHPAZFECG-UWVGGRQHSA-N 493.480 8.047 50 10 JKGE CC[C@@H](CC(F)(F)F)[C@H](Br)c1c(C)cc(Br)c(F)c1Br 2365187165 XRUZFIBYNJUTFB-XVKPBYJWSA-N 484.951 7.074 50 10 JKGE COc1c(Br)cc(C)c([C@@H](Br)C2CCC(C)CC2)c1Br 2365187553 BILQJJJIDJQQHH-IUVQJJGASA-N 469.055 6.791 50 10 JKGE COc1c(Br)cc(C)c([C@@H](Br)C(F)(F)C(F)(F)F)c1Br 2365189437 VCFMQXJDMDYSSY-SECBINFHSA-N 490.886 6.162 50 10 JKGE Cl[C@H](c1cccc(I)c1)c1cc2c(cc1Br)OCCC2 2369623441 FXINXDRYXVHTMO-MRXNPFEDSA-N 463.540 5.707 50 10 JKGE Fc1cc([C@H](Cl)Cc2cc(Br)cc(Br)c2)c(Cl)cc1Cl 2379771355 TUCYVMQIEKNWMD-LLVKDONJSA-N 461.383 7.180 50 10 JKGE N#C/C(=C/C=C(/Cl)c1ccc(Br)cc1)c1nc(-c2ccc(Cl)cc2Cl)cs1 6974999 DTHCXABGGLIZDZ-JICIAHPGSA-N 496.644 8.066 50 10 JKGE CCOc1cc(/C=C(/C#N)c2ccc([N+](=O)[O-])cc2)ccc1OCCOc1ccc(C)c(C)c1 16689027 CMAPHPYRZCZAJI-KQWNVCNZSA-N 458.514 6.132 50 10 JKGE CCCCN(CCCC)Cc1ccc(C(=O)NNC(=S)Nc2cccc(Cl)c2C)o1 20734869 ZRENNTGTZQEKMR-UHFFFAOYSA-N 451.036 5.275 50 10 JKGE CSc1sc(C)cc1[C@H]1C(C#N)=C(N)N(c2cccc(C(F)(F)F)c2)C2=C1C(=O)CCC2 27550499 LYTXJXKSROMBQS-IBGZPJMESA-N 475.561 6.102 50 10 JKGE CCOc1cc(/C=C(/C#N)C(=O)Nc2cc([N+](=O)[O-])ccc2C)ccc1OC(=O)c1ccccc1 33374561 MLLAMPOWMXXCBF-MOSHPQCFSA-N 471.469 5.067 50 10 JKGE CCCCOc1ccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4ccc(OC(C)C)cc4)ccc32)cc1 38650822 BTLAWYGPDUTDOX-NDEPHWFRSA-N 498.579 6.090 50 10 JKGE N#CC1=C(N)Oc2cc(OC(=O)c3ccccc3F)ccc2[C@H]1c1ccc(Cl)c(Cl)c1 38656015 JUZIXCTUDNRCTH-OAQYLSRUSA-N 455.272 5.570 50 10 JKGE CCc1ccc(OCC(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@@H]3c2ccc(Cl)c(Cl)c2)cc1 38656029 JYPMEIBHVBSVDQ-RUZDIDTESA-N 495.362 5.758 50 10 JKGE C=CCOc1cccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)[C@H](C)Oc4ccc(CC)cc4)ccc32)c1 38684602 QGODLCNSUCZKPK-VKGTZQKMSA-N 496.563 5.405 50 10 JKGE Cc1cccn2c(=O)c(/C=C(/C#N)C(=O)Nc3ccccc3Cl)c(Oc3ccccc3F)nc12 39858740 YTFMVJVLMNBLGM-SSZFMOIBSA-N 474.879 5.133 50 10 JKGE CCN(C(=O)c1oc2c(c1C)/C(=N/NC(=O)c1ccccc1OC)CCC2)c1cccc(C)c1 40813216 UGMQZZSMPVDHEY-SGWCAAJKSA-N 459.546 5.042 50 10 JKGE Cc1c(C(=O)Nc2nccs2)oc2c1/C(=N/NC(=O)C(c1ccccc1)c1ccccc1)CCC2 40815539 TWEBCFXXEQNBAM-TWKHWXDSSA-N 484.581 5.286 50 10 JKGE C[C@@H](NC(=O)/C(C#N)=C/c1cc(Br)ccc1OCc1ccc(Cl)cc1)c1ccccc1 59245271 LGMDUKMIHJKZEB-VYVDHXHBSA-N 495.804 6.466 50 10 JKGE Cc1cc(/C=C(/C#N)C(=O)OC[C@@H]2CC2(Cl)Cl)c(C)n1-c1ccc(Br)cc1 96809721 YVDPGYDREIOANH-YMDFIQGPSA-N 468.178 5.501 50 10 JKGE C=CCN1C(=O)/C(=C/c2ccccc2)S/C1=N/NC(=O)COc1cc(Cl)c(Cl)cc1Cl 100844209 WRMDKWFLSKWFRC-VKXRWACOSA-N 496.803 5.215 50 10 JKGE CCCCCCCCOc1ccc(/C=C2/C(=O)N(CCCCCC)C(=O)C(C#N)=C2C)cc1OC 101333699 IISVGONXNXBZKM-LYBHJNIJSA-N 480.649 6.607 50 10 JKGE COc1ccc(-c2csc(/C(C#N)=C\Nc3ccc(Cl)cc3C(F)(F)F)n2)cc1OC 102704534 PPNIHFYVPRDSOL-RAXLEYEMSA-N 465.884 6.476 50 10 JKGE Cc1ccc(C)c(N/C(SCc2cccc(F)c2)=C(\C#N)S(=O)(=O)c2ccccc2)c1 104689423 PFPRSGJWAFGYHU-VHXPQNKSSA-N 452.576 5.954 50 10 JKGE COc1cc(F)c([C@H](Br)c2cc(Br)c(Br)s2)cc1OC 128562895 HRNQJOPIKVAYPG-LBPRGKRZSA-N 488.998 5.914 50 10 JKGE O=C1Cc2cc([C@@H](Br)c3cc(Br)ccc3Br)c(Cl)cc2N1 161094198 KXWGKAZLUMNNTO-HNNXBMFYSA-N 494.408 5.844 50 10 JKGE COc1cc(C)c(Br)cc1[C@H](Br)c1c(F)cccc1Br 161215639 WXDDAPYWQPKDIN-HNNXBMFYSA-N 466.970 6.152 50 10 JKGE C[C@@H]1C[C@@H](O[C@@H](CI)c2cccc(Br)c2)CC(C)(C)C1 162139961 MRTMDBUBKFUAFB-WQVCFCJDSA-N 451.186 6.157 50 10 JKGE C[C@@H]1CCc2[nH]c3ccc(C(=O)N/N=C\c4ccc(OC(=O)c5cccs5)cc4)cc3c2C1 169891431 ISJGVFFKAOPLIV-YKVGDQEKSA-N 457.555 5.337 50 10 JKGE CCSc1ccc(-c2nn(-c3ccccc3)cc2/C=C2\C(=O)N([C@H](C)CC)C(=O)C(C#N)=C2C)cc1 214259085 KTBUOWDAMZXQMQ-UFAQQFSPSA-N 496.636 6.042 50 10 JKGE CC(C)(C)c1ccccc1N/C=C(/C#N)C(=O)N1CCN(C(c2ccccc2)c2ccccc2)CC1 216503135 PAPAULBSARMGEG-RWEWTDSWSA-N 478.640 5.737 50 10 JKGE Cc1cc([C@H](Br)c2cc(Br)cc3c2OCC3)sc1Br 228443263 RVBVKKSRARYKFU-GFCCVEGCSA-N 467.020 6.001 50 10 JKGE Cc1ccc(Br)c([C@@H](Br)c2cc(Br)cc3c2OCC3)c1 228445682 CFJDORCQWMMDBT-OAHLLOKOSA-N 460.991 5.939 50 10 JKGE CCCOc1ccc([C@@H](Br)c2ccc(C)cc2Br)cc1Br 229005164 GSDZXBJZUNENIP-QGZVFWFLSA-N 477.034 6.793 50 10 JKGE CCC(CC)[C@H](Br)CNC(=O)c1cc(Br)sc1Br 230660987 KYPLHJNWRNEHTL-SECBINFHSA-N 462.045 5.203 50 10 JKGE Brc1ccc([C@@H](Br)c2ccc(Br)s2)c(Br)c1 232482809 ZDEPFMSELPHNCH-LLVKDONJSA-N 489.852 6.520 50 10 JKGE CCc1ccc(CC)c([C@H](Br)c2cc(Br)cc(Br)c2)c1 234183619 RRWGZMNUBAJECZ-QGZVFWFLSA-N 461.035 6.821 50 10 JKGE Cc1cc(Cl)ccc1[C@H](Br)c1cc(Br)ccc1Br 235870270 WXGOFSZGECFGKX-AWEZNQCLSA-N 453.399 6.658 50 10 JKGE C=CCn1c(-c2ccc(OCC)cc2)c(C)sc1=NNC(=O)C12CC3CC(CC(C3)C1)C2 254288122 AAGGKQAHLKDPSW-UHFFFAOYSA-N 451.636 5.258 50 10 JKGE COc1cc(C=NNC(=O)c2cc(Cl)c(O)c(Cl)c2)ccc1OC(=O)c1ccccc1Cl 254503823 GCBARMRZOPWUBA-UHFFFAOYSA-N 493.730 5.344 50 10 JKGE COc1ccc(C(=O)Oc2ccc3ccccc3c2C=NNC(=O)c2cccc(C)c2)cc1OC 254591809 BOIJEIXDHPODNG-UHFFFAOYSA-N 468.509 5.149 50 10 JKGE CCCC[C@@H](CC)CO[C@@](C)(CI)CN(CC)C(=O)OC(C)(C)C 303741922 VWGIMMXQFAAPAA-APWZRJJASA-N 455.421 5.670 50 10 JKGE COc1cc(Cl)c([C@@H](Br)c2sccc2I)cc1Cl 381343981 LEHXNIOZHGKTRP-LLVKDONJSA-N 477.976 6.152 50 10 JKGE CC1(C)CN(c2ccc(Br)cc2CBr)CCN1Cc1ccccc1 382654556 HEUGPNSSIIXXTK-UHFFFAOYSA-N 452.234 5.445 50 10 JKGE Cc1cc(F)c([C@@H](Br)c2cccc(C)c2I)cc1Cl 395569422 LTYCBOJKYXZUKR-AWEZNQCLSA-N 453.520 6.185 50 10 JKGE C[C@H](Cl)c1nc2cc(I)ccc2n1[C@H]1C[C@H](C)N(Cc2ccccc2)C1 397973671 BVVQTGGCQSQZMF-MPGHIAIKSA-N 479.793 5.776 50 10 JKGE Clc1ccc([C@@H](Br)c2cc(Cl)c(Cl)c(Cl)c2Cl)c(Br)c1 405066942 DSQSVARNQOREAA-SNVBAGLBSA-N 498.256 8.200 50 10 JKGE CC(C)(C)[Si](C)(C)OCCN1CCOCC[C@@H]1c1cccc(CO[Si](C)(C)C(C)(C)C)c1 616655285 BIWRYVJFJVADMW-XMMPIXPASA-N 479.854 6.994 50 10 JKGE C[C@@H]1CN(Cc2ccccc2)CC[C@@H]1n1c(CCl)nc2ccc(F)c(Br)c21 689729797 FBSUGSJKWWKFIV-KDOFPFPSSA-N 450.783 5.760 50 10 JKGE CO[C@@](C)(COCc1ccccc1)Cn1c([C@H](C)Cl)nc2cc(Br)ccc21 702783999 LTTRQJAQALZZBL-YCRPNKLZSA-N 451.792 5.721 50 10 JKGE CC(C)(C)C[C@@H](Br)CNC(=O)c1scc(Br)c1Br 705411410 XNMXDCGMTHRKEE-SSDOTTSWSA-N 462.045 5.203 50 10 JKGE COc1ccc(Br)cc1[C@H](Cl)c1scc(Br)c1Br 705439368 PGANJBWIVILORU-NSHDSACASA-N 475.427 6.372 50 10 JKGE Fc1cccc(C[C@H](Br)c2scc(Br)c2Br)c1F 705491819 MKKPJDNFTLPALZ-ZETCQYMHSA-N 460.963 6.230 50 10 JKGE CC(C)(C)CN(CCBr)C(=O)c1cc(Br)sc1Br 707935818 IKNMGNDEFALDKX-UHFFFAOYSA-N 462.045 5.156 50 10 JKGE COc1ccc([C@H](Br)c2ccc(I)c(Br)c2)cc1C 721600333 ACVIVLHUUNQULD-HNNXBMFYSA-N 495.980 5.855 50 10 JKGE ClCc1nc2cc(I)ccc2n1CC[C@H]1CCN(Cc2ccccc2)C1 723978226 ZJXXPIUMYFAKQE-QGZVFWFLSA-N 479.793 5.292 50 10 JKGE O=C(CSc1nc2ccccc2s1)NN=Cc1ccc(-c2cc([N+](=O)[O-])ccc2Cl)o1 1083999839 FOFUCSZKLHXCLG-UHFFFAOYSA-N 472.935 5.360 50 10 JKGE COc1cc(/C=C(/C#N)C(=O)NC2CCCCC2)ccc1OCc1ccc(Cl)c(Cl)c1 1084040820 LDCHAQWTZQRFTI-WQRHYEAKSA-N 459.373 5.937 50 10 JKGE CCOc1cc(C=NNC(=O)CSc2ccc(Cl)cc2)ccc1OCc1ccc(Cl)cc1 1084246578 CIOBUTYNWONZQU-UHFFFAOYSA-N 489.424 6.214 50 10 JKGE N#C/C(=C\c1cccc(OCc2ccc(Cl)cc2)c1)C(=O)Nc1cccc(C(F)(F)F)c1 1084251951 PPNXZXLLRIHTFX-WOJGMQOQSA-N 456.851 6.483 50 10 JKGE CCOc1cc(/C=C(\C#N)C(=O)Nc2cccc(Cl)c2)ccc1OCc1ccc(Cl)cc1 1084421156 JIUXPHNQLVECDE-XDHOZWIPSA-N 467.352 6.517 50 10 JKGE O=C(NN=Cc1c(F)cccc1Cl)c1ccc([C@@H]2SCC(=O)N2Cc2ccccc2)cc1 1084478597 VOZHOZUHUPBNKH-DEOSSOPVSA-N 467.953 5.017 50 10 JKGE Cc1ccc(NC(=O)/C(C#N)=C\c2cn(Cc3ccc(Cl)cc3Cl)c3ccccc23)cc1 1084540894 TWZKUWLRAKYYQA-UNOMPAQXSA-N 460.364 6.851 50 10 JKGE CCOC(=O)c1ccc(-c2ccc(C=NNC(=O)CSCc3ccc(Cl)cc3)o2)cc1 1084568204 DXMQFWUVIZMVCG-UHFFFAOYSA-N 456.951 5.160 50 10 JKGE FC(F)(F)c1cc(-c2cc(CCl)n(-c3ccccc3Br)n2)cc(C(F)(F)F)c1 1614818788 PNOYPUMHLFAIDX-UHFFFAOYSA-N 483.637 7.078 50 10 JKGE Cc1c(C(=O)Nc2ccc(Br)cc2)oc2c1C(=NNC(=O)c1cccs1)CCC2 1772749320 KZTGVDRLLGIWAZ-UHFFFAOYSA-N 472.364 5.135 50 10 JKGE Cc1c(C(=O)Oc2cccc3ccccc23)oc2c1C(=NNC(=O)c1ccccc1O)CCC2 1772751708 KGMNRRHOSKEMPY-UHFFFAOYSA-N 454.482 5.136 50 10 JKGE COc1ccc(/C=C/C(=O)NNC(=O)c2ccc(-c3ccc4ccccc4c3)s2)cc1OC 1860391422 GCMVKQBNEPUOLR-RIYZIHGNSA-N 458.539 5.060 50 10 JKGE CC(C)(C)c1ccc([C@H]2C(C#N)=C(N)Oc3c2c(-c2ccccc2)nn3Cc2cccc(Cl)c2)cc1 1865682731 WNCAORYGBLQFBZ-VWLOTQADSA-N 495.026 6.767 50 10 JKGE Cc1ccc(Cn2nc(-c3ccccc3)c3c2OC(N)=C(C#N)[C@H]3c2cccc(Br)c2)cc1 1865683394 CHVNSYBYGIGIAC-HSZRJFAPSA-N 497.396 5.888 50 10 JKGE N#CC1=C(N)Oc2c(c(-c3ccccc3)nn2Cc2ccc(F)cc2)[C@H]1c1ccc(Cl)cc1 1865683901 QAMGMMZUKSDTEH-QFIPXVFZSA-N 456.908 5.609 50 10 JKGE COc1ccc(-c2nn(-c3ccc(OC)cc3)c3c2[C@@H](c2ccc(C)cc2)C(C#N)=C(N)O3)cc1 1865685832 NVNOWXONBCWWJR-DEOSSOPVSA-N 464.525 5.083 50 10 JKGE CCCCOc1ccc([C@@H]2C(C#N)=C(N)Oc3c2c(-c2ccccc2)nn3-c2ccccn2)cc1 1865690585 VYAPABRGPCTXAI-XMMPIXPASA-N 463.541 5.331 50 10 JKGE COc1ccc(OC)c([C@H]2C(C#N)=C(N)Oc3c2c(-c2ccccc2)nn3-c2ccc(Cl)cc2)c1 1865691745 AAALVGNGHGQVCT-QHCPKHFHSA-N 484.943 5.428 50 10 JKGE CCCc1nn(-c2cccc(Cl)c2)c2c1[C@@H](c1ccc(OC(C)C)c(OC)c1)C(C#N)=C(N)O2 1865697639 YNCHJLBFZQDJTI-QHCPKHFHSA-N 478.980 5.492 50 10 JKGE Cn1cc([C@@H]2C(C#N)=C(N)Oc3c2c(C(F)(F)F)nn3Cc2cccc(Cl)c2)c2ccccc21 1865699016 IOKRJXYJAHKFDY-IBGZPJMESA-N 483.881 5.313 50 10 JKGE COc1cccc([C@@H]2C(C#N)=C(N)Oc3c2c(C)nn3-c2ccc(C)cc2)c1OCc1cccc(C)c1 1865705016 KCYXQMHMKYPDIA-HHHXNRCGSA-N 492.579 5.603 50 10 JKGE N#CC1=C(N)Oc2c(c(-c3ccccc3)nn2Cc2ccccc2)[C@@H]1c1ccc(Cl)c([N+](=O)[O-])c1 1865706084 NFIKGTLYQSPKKZ-JOCHJYFZSA-N 483.915 5.378 50 10 JKGE COc1ccccc1[C@@H]1C(C#N)=C(N)Oc2c1c(-c1ccccc1)nn2-c1ccc(Br)cc1 1865710180 QEYHFPMUEMEBLL-JOCHJYFZSA-N 499.368 5.529 50 10 JKGE CCCCCCCOc1ccc(-c2csc(/C(C#N)=C(\O)Cc3ccc(NC(C)=O)cc3)n2)cc1 1872752955 AXAFIFHMSAUQTD-RFBIWTDZSA-N 489.641 7.153 50 10 JKGE COc1c(C)cc(C)cc1-c1csc(/C(C#N)=C(\O)[C@@H](C)Oc2ccc(Cl)cc2Cl)n1 1872754907 OVQNFKHOVDRGIF-GICLCMKGSA-N 475.397 7.003 50 10 JKGE COc1ccc(-c2csc(/C(C#N)=C(\O)CCCOc3ccc(Cl)cc3Cl)n2)c(OC)c1 1872755308 HSFBSTCNVTWBBA-JZJYNLBNSA-N 491.396 6.786 50 10 JKGE CCCOc1ccc(-c2csc(/C(C#N)=C/c3cc(OC)c(OC)c(OC)c3)n2)cc1OCCC 1872790106 LJBSBBBZGQJYEA-UDWIEESQSA-N 494.613 6.478 50 10 JKGE CC1(C)CC([C@@H](Br)c2sc(Br)cc2Br)CC(C)(C)C1 1878994339 QKTINQWOICDNTL-GFCCVEGCSA-N 473.112 7.562 50 10 JKGE Brc1cc(Br)c([C@@H](Br)[C@H]2C[C@H](Br)C2)s1 1893084915 JKBOPYRPMURWFZ-YQJDLUKNSA-N 467.846 5.883 50 10 JKGE Cl[C@@H](c1cc(Br)ccc1OCc1ccccc1)c1sncc1Br 1899865790 UYOSJKDHQWKWBG-INIZCTEOSA-N 473.617 6.575 50 10 JKGE BrCc1cnc(Oc2cc(Br)cc(I)c2)s1 1901050945 CJYDCOVLEBNOGU-UHFFFAOYSA-N 474.943 5.197 50 10 JKGE Cc1sc(Br)cc1[C@H](Br)c1cc(I)sn1 1909889596 SFIYXMMYXHHAJY-VIFPVBQESA-N 479.000 5.364 50 10 JKGE C[C@@H](CBr)N(Cc1ccccc1)C(=O)c1cccc(Br)c1Br 1914231395 BJRBIIVZYPYKBM-LBPRGKRZSA-N 490.033 5.637 50 10 JKGE O=S(=O)(c1ccccc1N(Cc1ccccc1)[C@H](CBr)C1CC1)C(F)(F)F 1915188463 HXCXPWBBTCMOLT-QGZVFWFLSA-N 462.331 5.160 50 10 JKGE CC(C)[C@@H](CBr)N(Cc1ccccc1)S(=O)(=O)c1cc(Cl)cc(Cl)c1 1915296240 RTJGYQJOATUTFK-GOSISDBHSA-N 465.240 5.604 50 10 JKGE Fc1cc(Cl)ccc1[C@H](Br)c1sc(Br)cc1Br 1922936056 UPLDHHZAYBCKFH-JTQLQIEISA-N 463.391 6.550 50 10 JKGE CSc1ccc([C@@H](Br)c2sc(Br)c(C)c2Br)cc1 1922953817 HUFCNMXKGJUYHZ-LLVKDONJSA-N 471.077 6.788 50 10 JKGE FC1(F)CC12CC([C@H](Br)c1cc(Br)c(Br)s1)C2 1948682860 ZLCJRIGGGRTUIA-KSHCCYOPSA-N 450.968 6.145 50 10 JKGE Fc1ccc(I)cc1[C@@H](Br)c1cc(Cl)sc1Cl 2003650128 RJYXTVUEEKQOBQ-SNVBAGLBSA-N 465.940 6.283 50 10 JKGE CO[C@@H]1CC[C@H]1C[C@@H](Cl)c1c(Br)sc(Br)c1Br 2013839923 TYTHMXCYTBGYOT-RRKCRQDMSA-N 467.448 6.131 50 10 JKGE Cn1ncc(Br)c1[C@H](Br)c1cc(C2CC2)c(Br)s1 2033626894 NVKCWRMRSPMNLG-SNVBAGLBSA-N 455.013 5.368 50 10 JKGE CCCC(CBr)(CBr)Cc1ccc(Cl)c(Br)c1F 2047989279 BUCUMLCDEUGSSQ-UHFFFAOYSA-N 465.426 6.360 50 10 JKGE Cc1c(Br)sc([C@H](Cl)c2c(Br)nn(C)c2C)c1Br 2067855333 QSAZVJVGKYBATF-MRVPVSSYSA-N 477.447 5.714 50 10 JKGE COc1cc([C@H](Br)c2cc(Br)sc2C)ccc1Br 2072061736 UILOHDYOYSANPE-ZDUSSCGKSA-N 455.009 6.074 50 10 JKGE COc1cc(Cl)c([C@@H](Cl)c2sccc2I)cc1Br 2082383870 BPIVCENXCSDBFR-LLVKDONJSA-N 477.976 6.105 50 10 JKGE Cc1c([C@@H](Cl)c2ccc(Br)cc2Br)nn(C)c1Br 2083317377 FVSLTQKMRXGAPH-JTQLQIEISA-N 457.391 5.344 50 10 JKGE Cl[C@H](c1cc(I)ccc1Br)c1ncn2ccsc12 2083992646 VFGNRARHHCNGDI-SNVBAGLBSA-N 453.530 5.091 50 10 JKGE Cl[C@H](c1ccc(CC2CC2)s1)c1cc(I)ccc1Br 2087646133 RTFXWVJUMAHJQB-HNNXBMFYSA-N 467.597 6.396 50 10 JKGE O=C(N[C@@H]1CCCC[C@@H]1CCBr)c1scc(Br)c1Br 2090573375 SRRGDEQUJIWLAP-PSASIEDQSA-N 474.056 5.347 50 10 JKGE Brc1ccc(Br)c(CN2C[C@H]3[C@@H](Br)CCC[C@H]3C2)c1 2118525559 VNTQLDTYUCVKTL-ZBINZKHDSA-N 452.028 5.207 50 10 JKGE CCn1ncc(Br)c1[C@H](Br)c1cc(Br)c(Cl)cc1C 2137657079 RFSDWHCTKUANFZ-GFCCVEGCSA-N 471.418 5.874 50 10 JKGE COc1c(Cl)cc(Br)cc1[C@@H](Br)c1cc(Br)n(C)n1 2138255991 QLXVXSBDYDRLOM-LLVKDONJSA-N 473.390 5.091 50 10 JKGE CC1(C)[C@H]2CC[C@@H](C2)[C@@]1(CBr)Cc1ccc(Br)cc1Br 2148680176 CCTQYACPOFLZGY-DCGLDWPTSA-N 465.067 6.592 50 10 JKGE Cc1c(Br)c(COc2c(Br)cc(Br)cc2CCl)nn1C 2150235314 OECXOGRBKFTFJL-UHFFFAOYSA-N 487.417 5.334 50 10 JKGE CC(C)(F)[C@@](C)(F)CC(CBr)(CBr)c1ccc(Br)cc1 2168976130 YXSMMYLHTUMMJZ-AWEZNQCLSA-N 477.025 6.343 50 10 JKGE ClCc1nc2cc(Cl)c(Br)cc2n1Cc1cc(Br)cs1 2169019577 PFRFVVNOZWJEHQ-UHFFFAOYSA-N 455.002 6.063 50 10 JKGE FC1(F)CCC2(CC1)[C@@H](Br)C[C@H]2Oc1cccc(I)c1 2177597077 YENWOZCMIXXQFW-QWHCGFSZSA-N 457.096 5.402 50 10 JKGE FCCOc1ccccc1[C@H](Br)c1c(Cl)sc(Br)c1Cl 2189519485 XWCFIYBKQCDOSM-JTQLQIEISA-N 462.993 6.650 50 10 JKGE Cc1c(Br)ccc([C@@H](Br)[C@H]2C[C@@H](OC(C)(C)C)C2)c1Br 2203683170 KJJAWDGFISTNRO-RWSFTLGLSA-N 469.055 6.550 50 10 JKGE CO[C@@H]1C[C@@H]([C@H](Br)c2ccc(Br)c(C)c2Br)C12CCC2 2203686866 OSLHHNOGHQQSQX-NJZAAPMLSA-N 467.039 6.161 50 10 JKGE COCc1cccc([C@@H](Br)c2ccc(Br)c(C)c2Br)c1 2203687476 QFXYSKCKUOFYFU-MRXNPFEDSA-N 463.007 6.151 50 10 JKGE Clc1cc(C[C@H]2CCCCCCCC[C@@H]2Br)ccc1I 2208042074 CJCUSANFCQVZRG-CABCVRRESA-N 469.632 7.001 50 10 JKGE Cc1c(Br)sc([C@H](Br)[C@@H]2OC[C@H]3CCC[C@@H]32)c1Br 2218094366 ZNVDUOLCVBARTK-JZSSXWJLSA-N 459.041 5.833 50 10 JKGE Cn1cc(Br)c([C@H](Cl)c2cc(Br)c(Br)cc2F)n1 2218605152 DITLCTLCOIDLGP-SNVBAGLBSA-N 461.354 5.175 50 10 JKGE CC[C@@H]1OCC[C@H]1[C@H](Br)c1c(Br)cc(Cl)c(Cl)c1Cl 2224302433 LQXNRGDQJOXLRA-PUMQYWBSSA-N 451.413 6.660 50 10 JKGE CCCC[C@H](C)CC[C@@H](Br)c1cc(Br)c(Br)cc1F 2225620270 SJPDVINXCCDZJX-CMPLNLGQSA-N 459.035 7.393 50 10 JKGE Clc1cc(Br)c([C@@H](Br)[C@H]2Cc3ccccc32)c(Cl)c1Cl 2232510749 ICZMTIIAAHZJCB-ZANVPECISA-N 455.404 7.185 50 10 JKGE C[C@@H]([C@@H]1CCN(Cc2ccccc2)C1)n1c(CCl)nc2c(F)cc(Br)cc21 2232923298 LYUSQORPZBEULG-GOEBONIOSA-N 450.783 5.760 50 10 JKGE C[C@@H]1CC[C@@](C)([C@@H](Br)c2cc(Br)c(Br)cc2F)C1(C)C 2233977517 VQTFQJPOCNKQJV-OELKAKTESA-N 471.046 7.249 50 10 JKGE CCc1cc([C@H](Br)c2ccc(Br)c(F)c2)sc1Br 2256057754 SOQCAYMHPVQHKJ-GFCCVEGCSA-N 457.000 6.459 50 10 JKGE Cc1cc(Cl)c(Cl)cc1[C@H](Cl)c1ccc(I)c(Br)c1 2264376808 JLSXLTXAPFKCLP-CQSZACIVSA-N 490.393 6.997 50 10 JKGE COc1ccc([C@H](Br)c2c(F)cccc2I)cc1Br 2267657309 AOZIXDBAIOYUDC-AWEZNQCLSA-N 499.943 5.686 50 10 JKGE FC12CCC([C@@H](Br)Cc3cc(Br)cc(Br)c3)(CC1)C2 2277953844 CAGOTXFCVKTYCK-NFOMZHRRSA-N 455.003 6.190 50 10 JKGE Cc1cc(Br)c([C@H](Cl)c2cc(Cl)ccc2I)c(C)c1F 2279142270 QNBUNQJVQNCFAG-CQSZACIVSA-N 487.965 6.791 50 10 JKGE Cc1cc(Br)c([C@H](Br)c2c(Br)c(C)nn2C)c(C)c1F 2279150612 ZLVHYCCPNXDIFU-LBPRGKRZSA-N 468.990 5.494 50 10 JKGE COc1ccc(Br)c2c1nc(CCCl)n2C(C)(C)COCc1ccccc1 2286080455 HJFZKTKRSUUILO-UHFFFAOYSA-N 451.792 5.541 50 10 JKGE C[C@H](Cl)CN(CC(C)(C)C)C(=O)c1cc(Br)ccc1I 2288077775 FFDJIFOPMANWHQ-JTQLQIEISA-N 472.592 5.169 50 10 JKGE Cc1cccc(COc2c(Cl)cc(C=C(C#N)C(=O)Nc3ccccc3C(=O)O)cc2Cl)c1 2293779483 QAOGNJNCYJTHFW-UHFFFAOYSA-N 481.335 6.125 50 10 JKGE N#CC(=Cc1cc(Br)c(I)o1)c1ccc(Br)cc1 2293806399 MHZHDHATCLHBEZ-UHFFFAOYSA-N 478.909 5.473 50 10 JKGE Brc1cc(Br)cc(C[C@H](Br)c2coc3ccccc23)c1 2295345886 RYDBXMVBXUMKNX-HNNXBMFYSA-N 458.975 6.637 50 10 JKGE Cc1cc([C@@H](Br)c2cc3sc(Br)cc3s2)cc(C)c1Br 2295413695 IGMRMMPAWAJWOP-OAHLLOKOSA-N 495.099 7.589 50 10 JKGE CCOC(=O)c1c(NC=C(C#N)c2nc(-c3cc4ccccc4oc3=O)cs2)sc(C)c1C 2296790033 KKCOWZYMBZQEHV-UHFFFAOYSA-N 477.567 5.748 50 10 JKGE CCOC(=O)c1c(NC=C(C#N)c2nc(-c3ccc(OC)c(OC)c3)cs2)sc(C(C)=O)c1C 2297466767 YTEFOWRSGXQWNT-UHFFFAOYSA-N 497.598 5.553 50 10 JKGE COCc1ccc([C@@H](Br)c2sc(Br)cc2Br)s1 2303041641 ZKBKNYMTHAKJQS-SNVBAGLBSA-N 461.038 5.965 50 10 JKGE N#CC(=Cc1ccc(OC(=O)c2cccc3ccccc23)cc1)C(=O)Nc1ccc(Cl)c(Cl)c1 2313631334 OESGYZZCJMYEMM-UHFFFAOYSA-N 487.342 6.911 50 10 JKGE CCCCOc1ccc(C=C(C#N)C(=O)Oc2cccc(N3C(=O)c4ccccc4C3=O)c2)cc1 2314770806 OIZWPFPYKOWXHD-UHFFFAOYSA-N 466.493 5.179 50 10 JKGE CCOC(=O)C(C#N)=Cc1ccc(OC(=O)c2sc3ccccc3c2Cl)c(OCC)c1 2314792520 MBHSNKSGJQRFJA-UHFFFAOYSA-N 455.919 5.643 50 10 JKGE Clc1cc(I)c([C@@H](Br)c2cc3c(s2)CCOC3)s1 2316777670 PFECELSSNRYDJN-NSHDSACASA-N 475.598 5.625 50 10 JKGE COc1ccccc1C(C#N)=Cc1cccc(OC(=O)c2cc(C(F)(F)F)cc(C(F)(F)F)c2)c1 2320510969 HBLZGYDLXJKONC-UHFFFAOYSA-N 491.387 7.016 50 10 JKGE COc1ccc([C@@H](C)NC=C(C#N)C(=O)Nc2ccc(Cl)c(C(F)(F)F)c2)cc1OC 2325382665 QWCAQWXZEQPKMU-GFCCVEGCSA-N 453.848 5.073 50 10 JKGE N#CC(=C(O)C(=Cc1ccccc1)c1ccccc1)c1nc(-c2ccc(Cl)cc2Cl)cs1 2331251538 XKDMBBAQMLGHIE-UHFFFAOYSA-N 475.400 8.150 50 10 JKGE N#CC(=C(O)C=Cc1ccc(Cl)cc1Cl)c1nc(-c2ccc3c(c2)OCCO3)cs1 2331330924 NESXEMPMYUVKEV-UHFFFAOYSA-N 457.338 6.394 50 10 JKGE Cc1ccc(C(C)(C)C)cc1-c1csc(C(C#N)=C(O)CCCOc2c(C)cccc2C)n1 2331397175 QIKKEYOORRKROX-UHFFFAOYSA-N 460.643 7.685 50 10 JKGE COc1ccc(-c2csc(C(C#N)=C(O)C=Cc3ccc(Cl)cc3Cl)n2)c(OC)c1OC 2331412506 DYLOVDUERKLMMQ-UHFFFAOYSA-N 489.380 6.649 50 10 JKGE COc1ccc(-c2csc(C(C#N)=C(O)C=Cc3ccc(Cl)cc3)n2)c(OC)c1OC 2331412559 JLNZBGAEMKZYAQ-UHFFFAOYSA-N 454.935 5.995 50 10 JKGE COc1cc(C=C(C#N)c2nc(-c3ccc(F)cc3)cs2)cc(Br)c1OC(C)C 2331459016 BRTOQPYUZMSYHY-UHFFFAOYSA-N 473.367 6.572 50 10 JKGE COc1cc(C=C(C#N)c2nc(-c3cc(C(C)(C)C)ccc3OC)cs2)ccc1OC(C)C 2331461175 SBPUUPUFTJANIF-UHFFFAOYSA-N 462.615 6.976 50 10 JKGE Cn1cc(Br)c([C@@H](Br)c2c(F)cc(Cl)c(Br)c2Cl)n1 2335371019 HWDGPGSYYRGTQP-VIFPVBQESA-N 495.799 5.875 50 10 JKGE CC1(C)CO[C@H]([C@H](Br)c2c(Cl)cc(Br)c(F)c2Br)C1 2337083574 BCIDGCHVGNIDQA-WPRPVWTQSA-N 479.409 6.255 50 10 JKGE CC1(C)CCC[C@@](CBr)(Cc2ccc(Cl)c(I)c2)O1 2337228217 UVLUOHNWTYFFLQ-HNNXBMFYSA-N 457.577 5.600 50 10 JKGE Cc1cc(Br)c(F)c(Br)c1[C@H](Br)[C@@H]1CCC[C@@H](C)O1 2339658368 HHIHGKZNGXIFPO-UBHAPETDSA-N 458.991 6.053 50 10 JKGE COc1c(Br)cc(C)c([C@@H](Br)CC2CCCC2)c1Br 2339687914 BEDGUAPOVQIBIR-NSHDSACASA-N 455.028 6.545 50 10 JKGE COC(C)(C)C1([C@@H](Br)c2cc(Br)c(C)cc2Br)CC1 2343538538 NIWILSFAKDJOTI-ZDUSSCGKSA-N 455.028 6.161 50 10 JKGE ClCCc1ccc(NCc2ccc(I)c(Br)c2)cc1 2349846014 UMYNBCIFAICYMN-UHFFFAOYSA-N 450.545 5.447 50 10 JKGE CN(Cc1ccc(I)c(Br)c1)[C@H]1CCCCC[C@H]1Cl 2349857908 DAZFSIDJXBQWHN-HIFRSBDPSA-N 456.593 5.426 50 10 JKGE Cc1cc(Br)c(F)c(Br)c1[C@@H](Br)[C@H]1CC[C@@H]2C[C@H]1CO2 2365198460 ZURMQUKFYNYGSB-WJZNIJOASA-N 471.002 5.910 50 10 JKGE CC(C)(C)[C@@H]1CC[C@H]1[C@@H](Br)c1c(Br)cc(Cl)c(Cl)c1Cl 2369056549 QHGBOXGOOKMEFC-DNSOKLHBSA-N 463.468 7.918 50 10 JKGE COc1ncc(Br)c(C)c1C[C@H](Br)c1ccc(Br)cc1 2370381745 YWRVOQWXZAQNBB-ZDUSSCGKSA-N 463.995 5.602 50 10 JKGE CN(Cc1cc(I)ccc1Cl)C[C@@H](Br)C1CCCCC1 2380520698 CLYBHBCQNQMOKA-OAHLLOKOSA-N 470.620 5.720 50 10 JKGE CCc1cc(Br)c(OC)c([C@@H](Br)c2cccc(Br)c2)c1 2381253601 JABJQVCYXPCFCS-HNNXBMFYSA-N 463.007 6.267 50 10 JKGE COc1cc(/C=N/N(C(=O)C2CCCCC2)c2nc3ccc(C)cc3s2)cc(OC)c1OC 9149265 KCVMWUYJWKSVSC-CVKSISIWSA-N 467.591 5.578 50 10 JKGE CCOC(=O)c1c(NC(=O)/C(C#N)=C\c2ccc(-c3ccc(F)cc3)o2)sc2c1CC[C@@H](C)C2 33919861 KXYWKKQGFRNSRN-WIZMWCRPSA-N 478.545 5.994 50 10 JKGE CCCCOc1ccc(-c2nn(-c3ccccc3)cc2/C=C(/C#N)C(=O)NCCCOC)cc1Cl 35447418 ZUWYODNMGYNQIC-PGMHBOJBSA-N 493.007 5.431 50 10 JKGE CCCOc1ccccc1[C@@H]1C(C#N)=C(N)Oc2cc(OC(=O)COc3ccc(C(C)C)cc3)ccc21 38681790 AQKFQIHUDGCCKU-LJAQVGFWSA-N 498.579 5.801 50 10 JKGE CCCOc1ccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)Cc4ccccc4)ccc32)cc1OCC 38683963 ZUHLEIULJMROFK-MUUNZHRXSA-N 484.552 5.240 50 10 JKGE CCc1ccc2oc(C(=O)Oc3ccc4c(c3)OC(N)=C(C#N)[C@H]4c3cccc(F)c3)c(C)c2c1 38700497 UDXYOKYWZCMISA-VWLOTQADSA-N 468.484 5.880 50 10 JKGE Cc1cccc(COc2ccc(/C=N\NC(=O)CC[C@@H](O)c3ccccc3)cc2Br)c1 58889051 GIHYLNCBEPYSMD-MAAPNWIXSA-N 481.390 5.300 50 10 JKGE O=C(CC[C@H](O)c1ccccc1)N/N=C\c1cc(Cl)c(OCc2ccccc2F)c(Cl)c1 58889418 GGEAMSYMPSJSGB-OADPBGPJSA-N 475.347 5.675 50 10 JKGE C[C@@H](c1ccc(Cl)s1)n1c([C@@H](C)Cl)nc2cc(I)ccc21 97354351 SBMLFDRXGRAJKW-BDAKNGLRSA-N 451.160 6.265 50 10 JKGE Cc1cc(/C=C(/C#N)C(=O)OCc2nnc(-c3ccccc3)o2)c(C)n1-c1cccc(Cl)c1Cl 97654749 BZTWBXVOAAUUNW-UNOMPAQXSA-N 493.350 6.101 50 10 JKGE O=C(Nc1ccccc1C(F)(F)F)[C@@H](Br)[C@@H](Br)c1ccccc1 101051531 CWSZAVXYIDJSQR-KBPBESRZSA-N 451.080 5.544 50 10 JKGE N#C/C(=C/Nc1ccc2c(C(F)(F)F)cc(=O)oc2c1)c1nc(-c2ccc(F)cc2)cs1 102416854 BIYRLGJLKYENPK-RAXLEYEMSA-N 457.408 6.051 50 10 JKGE CCCCCCOc1ccc(/C=C(/C#N)C(=O)Nc2ncc(Cc3cccc(C)c3)s2)cc1 102974014 HLHSQPFGEJXUHX-KQWNVCNZSA-N 459.615 6.547 50 10 JKGE COc1ccc([C@H](Br)c2cc(Br)ccc2OC)cc1Br 109834550 XONIFVLKAJCHLT-HNNXBMFYSA-N 464.979 5.713 50 10 JKGE CCOc1ccc([C@@H](Br)c2cc(Br)c(Br)s2)cc1OCC 128290361 UUWZCHMQNVIOSA-CQSZACIVSA-N 499.062 6.555 50 10 JKGE Fc1ccc(COc2ccc(Br)c(CBr)c2)cc1Br 129026711 IAJOWABTVWLIBR-UHFFFAOYSA-N 452.943 5.825 50 10 JKGE COCCc1ccc([C@@H](Br)c2cc(Br)sc2Br)cc1 234694695 RGDJBRBIPVMCHG-CYBMUJFWSA-N 469.036 5.946 50 10 JKGE C[C@H]1CCC[C@@](CBr)(NC(=O)c2ccc(Br)cc2Br)C1 235625159 SAPAWEPBBGQVCW-ZUZCIYMTSA-N 468.027 5.285 50 10 JKGE CCOC(=O)Cn1c(C)c(C=NNC(=O)c2cc3c(ccc4ccccc43)o2)c2ccccc21 252619622 LRJLDVJFMBTCOG-UHFFFAOYSA-N 453.498 5.176 50 10 JKGE COc1ccc(OC)c(-c2cc(C(=O)NN=Cc3ccc(C(C)C)cc3)c3ccccc3n2)c1 252625082 QCNREQWTLWHNDM-UHFFFAOYSA-N 453.542 5.806 50 10 JKGE COc1cc(/C=N/NC(=O)[C@@H]2[C@H]3CCCC[C@@]32C)ccc1OCc1ccc(Cl)cc1Cl 253563149 FCIIGKDETAEHNI-LEJODPTHSA-N 461.389 5.857 50 10 JKGE CCOc1ccc(-n2c(SCC(=O)NN=C/C=C\c3ccccc3)nnc2-c2ccccc2)cc1 254730236 QOVFFHFAHAMBLC-SCIKZWPGSA-N 483.597 5.241 50 10 JKGE O=C(NN=CC1[C@@]2(c3ccccc3)[C@H]3C=C[C@@H](C3)[C@]12c1ccccc1)c1ccc2ccccc2n1 254773533 CRUOPDNYDLRRIC-NZWZHHCMSA-N 455.561 5.662 50 10 JKGE ClCc1nc2cccc(Cl)c2n1-c1ccc(Br)c(I)c1 312512758 DSEIBULOSCEJQB-UHFFFAOYSA-N 481.946 5.785 50 10 JKGE C[C@H]1CN(Cc2ccccc2)C[C@H]1n1c(CCCl)nc2cc(I)ccc21 389775122 CCMVUCHNHVUGCQ-MGPUTAFESA-N 479.793 5.115 50 10 JKGE COc1ccc(Br)cc1[C@H]1CN(Cc2ccccc2)C[C@@H]1CI 394767147 CMLWGVRNORUWTE-YJBOKZPZSA-N 486.191 5.108 50 10 JKGE CC(C)(C)[Si](C)(C)OCc1ccc([C@@H]2CCCCCN2S(=O)(=O)c2ccccc2)cc1 616624718 XICLLSOWDNQBHM-DEOSSOPVSA-N 459.728 6.514 50 10 JKGE C[C@H](Cl)c1nc2cccc(Br)c2n1CCCN(Cc1ccccc1)Cc1ccccc1 697724871 LWRRYRDPFXMKHI-FQEVSTJZSA-N 496.880 7.191 50 10 JKGE Clc1ccc(CC(CBr)(CBr)c2cccc(Br)c2)nc1 703899099 KMFNDDWEMIUZKO-UHFFFAOYSA-N 482.441 5.768 50 10 JKGE CC(C)[C@@H]1CN(c2cc(Br)ccc2CBr)CCN1Cc1ccccc1 704745800 YFIHEFYEYQKNRL-NRFANRHFSA-N 466.261 5.691 50 10 JKGE CCCc1ccc([C@H](Br)c2scc(Br)c2Br)cc1 705423718 FIDPWCVBHXIHQP-LBPRGKRZSA-N 453.037 6.710 50 10 JKGE Fc1ccccc1C(CBr)(CBr)Cc1ncc(Br)s1 713636907 BDFAICUDDXCCRM-UHFFFAOYSA-N 472.015 5.315 50 10 JKGE C=C(C)[C@H]1CC=C(C)C(=NNC(=O)COc2c(C)cc(Br)cc2Br)C1 1084133998 QEHWRHMAHRUEPA-AWEZNQCLSA-N 470.205 5.303 50 10 JKGE COc1cc(C=NNC(=O)c2cccc([N+](=O)[O-])c2)ccc1OCc1ccc(Cl)c(Cl)c1 1084433548 QSIACXRPMTZQGQ-UHFFFAOYSA-N 474.300 5.253 50 10 JKGE Cc1ccc(S(=O)(=O)Oc2ccccc2C=NNC(=O)[C@H](C)c2ccc(CC(C)C)cc2)cc1 1084650573 KFWSVJGZPSYHJQ-OAQYLSRUSA-N 478.614 5.215 50 10 JKGE O=C(CCCCl)ON=C1C(=O)N(Cc2cccc(C(F)(F)F)c2)c2ccc(Cl)cc21 1848352947 QFUWPCOPBDGUBK-UHFFFAOYSA-N 459.251 5.172 50 10 JKGE CCOc1cc(-c2nc3ccc(C(=O)Nc4ccc(SC#N)cc4)cc3[nH]2)ccc1OCC(C)C 1861859987 DYOUETUBPJBYKR-UHFFFAOYSA-N 486.597 6.489 50 10 JKGE CCCc1nn(Cc2c(F)cccc2Cl)c2c1[C@@H](c1ccc(C(C)(C)C)cc1)C(C#N)=C(N)O2 1865682711 WCWBTJLYARIABZ-QHCPKHFHSA-N 478.999 6.192 50 10 JKGE COc1cc([C@H]2C(C#N)=C(N)Oc3c2c(-c2ccccc2)nn3C)ccc1OCCCc1ccccc1 1865696305 DGBPCMGRBUSHKA-SANMLTNESA-N 492.579 5.325 50 10 JKGE N#CC1=C(N)Oc2c(c(-c3ccccc3)nn2-c2cccc(Cl)c2)[C@H]1c1ccc2c(c1)OCCO2 1865697971 HGWGWKMNNYHCIT-QHCPKHFHSA-N 482.927 5.182 50 10 JKGE N#CC1=C(N)Oc2c(c(-c3ccccc3)nn2Cc2ccc(Cl)c(Cl)c2)[C@H]1c1cccnc1 1865700450 UEAJTLVYCMAKLD-NRFANRHFSA-N 474.351 5.518 50 10 JKGE N#CC1=C(N)Oc2c(c(C(F)(F)F)nn2-c2cccc3ccccc23)[C@H]1c1ccc(F)cc1 1865707608 AZBGVQXBELZBHB-IBGZPJMESA-N 450.395 5.402 50 10 JKGE COc1ccc([C@@H]2C(C#N)=C(N)Oc3c2c(C(F)(F)F)nn3Cc2ccc(Cl)c(Cl)c2)cc1 1865713233 UPZFVMNRDYLQKJ-QGZVFWFLSA-N 495.288 5.484 50 10 JKGE CCCC[C@H](NC(=O)Cc1nc(-c2ccc(OC)cc2)oc1C)C(=O)Nc1ccc(SC#N)cc1 1866677189 KXXSAAVWMUTTJF-QFIPXVFZSA-N 492.601 5.088 50 10 JKGE C[C@H]1CN(c2cc(Nc3ccc(SC#N)cc3)nc(-c3ccc(C(C)(C)C)cc3)n2)CCO1 1868545164 TURHRPGAYYNAFE-SFHVURJKSA-N 459.619 5.983 50 10 JKGE CCCCCCCCCOc1ccc(/C=C(\C#N)S(=O)(=O)c2ccccc2)cc1OCC 1872727394 XPHKOOXQXMZQLJ-LYBHJNIJSA-N 455.620 6.553 50 10 JKGE N#C/C(=C(/O)CN1C(=O)c2ccccc2C1=O)c1nc(-c2ccc(Cl)cc2Cl)cs1 1872744625 AKLVDDMQEDNCDQ-SDXDJHTJSA-N 456.310 5.206 50 10 JKGE N#C/C(=C(O)\C=C\c1ccc([N+](=O)[O-])cc1)c1nc(-c2cccc(Br)c2)cs1 1872746047 OXAZCPCKMRRGDZ-VJOPBKQLSA-N 454.305 5.987 50 10 JKGE COc1cc(-c2csc(/C(C#N)=C(O)/C=C/c3ccc([N+](=O)[O-])cc3)n2)c(OC)cc1Cl 1872756650 UKPXNOFESWVWOY-BBQWOBQPSA-N 469.906 5.895 50 10 JKGE Cc1ccc(S(=O)(=O)NC/C(O)=C(\C#N)c2nc(-c3cc(Cl)ccc3Cl)cs2)cc1 1872758531 FNBJVFLYPLAVST-MNDPQUGUSA-N 480.398 5.197 50 10 JKGE CC(C)[C@H](NC(=O)OC(C)(C)C)C(=O)N/N=C/c1c(OCc2ccccc2)ccc2ccccc12 1873795459 KMSVJTFJEIAYHL-BUSZIJHZSA-N 475.589 5.418 50 10 JKGE C[C@H]1OCC[C@@H]1CCOc1c(Br)cc(Br)cc1CBr 1885696762 POXBSZHDCQTDSE-NXEZZACHSA-N 457.000 5.300 50 10 JKGE Fc1cc(C[C@@H](Br)c2ccccc2Br)c(F)cc1Br 1894894896 KMADASQRDPFPQR-LLVKDONJSA-N 454.934 6.169 50 10 JKGE C[C@@H]1[C@@H](Br)CC[C@@H]1Cc1ccc(I)c(Br)c1 1904330489 VRRXIOBIACPPNT-GDPRMGEGSA-N 457.975 5.406 50 10 JKGE BrC[C@@]1(Cc2ccc(I)c(Br)c2)C=CCC1 1904344268 RUOJVLWORNZPCL-ZDUSSCGKSA-N 455.959 5.328 50 10 JKGE Cc1nsc(Br)c1[C@@H](Br)c1cc(Br)c2c(c1)C[C@H](C)O2 1912941747 INAZLWXFBBZWQA-QTTZVWFDSA-N 482.035 5.784 50 10 JKGE COc1ccc(Br)c(C(=O)N(Cc2ccccc2)[C@@H](CBr)C2CC2)c1 1915265095 NWSXLHNBEQHOER-IBGZPJMESA-N 467.201 5.274 50 10 JKGE Clc1c(Br)sc(Br)c1[C@H](Br)[C@]12COC[C@H]1C2 1923039762 QTMGZOLBGHMLSS-TZQSSRQDSA-N 451.405 5.399 50 10 JKGE FC(F)(F)C[C@H](Br)c1c(Br)sc(Br)c1Cl 1923067855 JRVVQCBVPNSNTI-REOHCLBHSA-N 451.327 6.315 50 10 JKGE C[C@@]1([C@H](Cl)c2c(Br)sc(Br)c2Br)CC1(F)F 1924568288 DRTMLVDWKBPVJM-XRGYYRRGSA-N 459.375 6.361 50 10 JKGE Cc1ccc([C@H](Br)c2c(Br)sc(Br)c2Br)o1 1924577218 YVWNUZWUFWZBPN-ZETCQYMHSA-N 493.840 6.421 50 10 JKGE CC(C)([C@H](Cl)c1c(Br)sc(Br)c1Br)S(C)(=O)=O 1924583057 FLMBTFRPFLZMOE-ZCFIWIBFSA-N 489.476 5.139 50 10 JKGE Cl[C@H](c1c(Br)sc(Br)c1Br)[C@@H]1CCC[C@H]2C[C@@H]21 1924608204 FIOYWBWVBUAXBI-XIVUIJJLSA-N 463.460 6.752 50 10 JKGE Cc1nsc(Br)c1[C@H](Cl)c1c(Cl)sc(Br)c1Cl 1925557313 YYQBKHWQMCJZAH-YFKPBYRVSA-N 456.439 6.673 50 10 JKGE CCN(C[C@@](C)(CI)O[C@@H]1CC[C@@H]2CC[C@H]1C2)C(=O)OC(C)(C)C 1947119615 BZYOLKSGHLLMDH-YIOZNXECSA-N 451.389 5.032 50 10 JKGE Cc1sc(Br)c(C(=O)N(Cc2ccccc2)[C@@H](CBr)C(C)C)c1C 1951017827 DCBVXMBWHYDWTP-INIZCTEOSA-N 473.274 6.189 50 10 JKGE FC1(F)C[C@]12C[C@@H]2[C@@H](Cl)c1c(Br)sc(Br)c1Br 2004507407 LZTKABZHUJMXHS-FROZIPMSSA-N 471.386 6.361 50 10 JKGE C[C@]1([C@@H](Br)c2cc(Br)c(Br)s2)CCCCC1(F)F 2048987791 OZRFQJMLRJZRJZ-GXSJLCMTSA-N 467.011 6.925 50 10 JKGE COc1cc([C@H](Cl)c2sc(Br)cc2Br)ccc1Br 2072063259 NXXUJHNMFFFKFQ-NSHDSACASA-N 475.427 6.372 50 10 JKGE Cc1cc([C@H](Cl)c2ccc(Br)c(C)c2Br)c(Br)s1 2083310699 BZOYAOKHBVEBDR-GFCCVEGCSA-N 473.455 6.981 50 10 JKGE Cc1cc(F)cc(C)c1[C@@H](Br)c1cccc(Br)c1Br 2092328934 QFQNQPGDUPBBLT-HNNXBMFYSA-N 450.971 6.452 50 10 JKGE Brc1cccc(CN2[C@H]3CCC[C@@H](Br)[C@H]2CC3)c1Br 2097812950 SYYHRPOEHZTBEB-OUCADQQQSA-N 452.028 5.492 50 10 JKGE Fc1ccc(Br)c([C@@H](Br)c2cc(Br)c(Cl)cc2F)c1 2097836267 YKOYYUIRJJJMOC-CYBMUJFWSA-N 475.352 6.628 50 10 JKGE C[C@@H]1CCO[C@H]1CCOc1c(Br)cc(Br)cc1CBr 2101103333 NXMDWCDABNVDPG-RNCFNFMXSA-N 457.000 5.300 50 10 JKGE ClCc1nc2cc(Cl)c(Br)cc2n1[C@@]12C[C@H]1CN(Cc1ccccc1)C2 2112702012 QZGLTEZSTBJLEB-VBKZILBWSA-N 451.195 5.422 50 10 JKGE Cc1cc(Br)c(CBr)c(N2[C@H]3CCC[C@H]2CN(Cc2ccccc2)C3)c1 2125907529 ZCZWEYJQXHWMAX-OALUTQOASA-N 478.272 5.896 50 10 JKGE Cc1cc(Br)c(C)c([C@@H](Br)C2CC(C3CC3)C2)c1Br 2136371770 VAKCJNHNVXYENE-PPUFBPAQSA-N 451.040 6.701 50 10 JKGE COc1cc(Cl)c([C@H](Cl)c2ccccc2OCc2ccccc2)cc1Br 2137637595 PCKNBEINNDGMBC-OAQYLSRUSA-N 452.175 7.018 50 10 JKGE ClCCc1nc2cc(I)ccc2n1[C@H]1CCCN(Cc2ccccc2)CC1 2160559010 LCYQQURFWGBENB-IBGZPJMESA-N 493.820 5.649 50 10 JKGE Clc1cc(Br)cc(CC(CBr)(CBr)c2ccccc2)c1 2166826465 YVFVSAOGQXHIPY-UHFFFAOYSA-N 481.453 6.373 50 10 JKGE BrCc1cc(Br)cc(Br)c1OCC1CCC2(CC1)CC2 2168939414 XXIWKVIXMQVXIL-UHFFFAOYSA-N 467.039 6.456 50 10 JKGE CC[C@@](C)(Cn1c(CCl)nc2cc(Cl)c(Br)cc21)N(C)Cc1ccccc1 2169014771 CGHXNLYUEUUOHS-NRFANRHFSA-N 469.254 6.492 50 10 JKGE C[C@@H]1CCCC[C@]12[C@@H](Br)C[C@@H]2Oc1c(Br)cccc1Br 2173629306 MUVMNVITTKWPFT-MRFFXNKRSA-N 467.039 6.323 50 10 JKGE Clc1ccc(I)c(CN2C[C@@H](CBr)C3(CCCC3)C2)c1 2175215922 QYNLJFJWWSENOV-CYBMUJFWSA-N 468.604 5.332 50 10 JKGE FC(F)(F)c1ccc([C@@H](Br)c2cc(Br)c(Cl)s2)c(Cl)c1 2179251252 CAQUSEPRFWMZAB-SNVBAGLBSA-N 468.947 7.321 50 10 JKGE Cc1nc(-c2ncc(Br)cc2Br)nc(C)c1[C@H](C)CBr 2187361961 VODWAQZINWWWSO-SSDOTTSWSA-N 463.999 5.179 50 10 JKGE Cl[C@@H]1[C@@H](CNc2ncc(I)cc2Br)CCCC12CCC2 2189906707 KJABIPXEEFQJKY-ZWNOBZJWSA-N 469.592 5.438 50 10 JKGE C[C@](F)(CC(CBr)(CBr)c1cccc(Br)c1)C(F)(F)F 2191831051 ZKBNJYBAOYEJCW-NSHDSACASA-N 484.951 6.157 50 10 JKGE FC(F)(F)c1cc(Cl)cc([C@@H](Cl)c2cc(Br)sc2Br)c1 2200838417 QNKNXJKEXWCXHU-SNVBAGLBSA-N 468.947 7.274 50 10 JKGE Cc1ccc(F)cc1[C@H](Br)c1c(C)c(Br)cc(C)c1Br 2201072600 JLKMQEKGWQUZJL-INIZCTEOSA-N 464.998 6.760 50 10 JKGE COc1cc(F)c([C@H](Br)c2ccc(C)c(Br)c2)cc1Br 2202904047 MGISAHKWPQZPNC-OAHLLOKOSA-N 466.970 6.152 50 10 JKGE COc1ccccc1C[C@H](Br)c1ccc(Br)c(C)c1Br 2203687788 RFRRTAYIKQXWIQ-AWEZNQCLSA-N 463.007 6.207 50 10 JKGE CCOCc1cc(Br)c([C@@H](Br)c2ccoc2Br)s1 2217983692 PSDRJNUPOMTAAY-JTQLQIEISA-N 458.997 5.887 50 10 JKGE Cc1c(Br)csc1[C@@H](Br)c1ccc(F)c(Br)c1F 2219004626 GEFGMGGURYHEFH-VIFPVBQESA-N 460.963 6.344 50 10 JKGE Cc1cc([C@@H](Br)Cc2ccc(Br)cc2Cl)oc1Br 2221694875 IJDHVRNZIPVZEX-JTQLQIEISA-N 457.387 6.445 50 10 JKGE Clc1cc(Br)c([C@@H](Br)Cc2ccc(Br)cc2Cl)s1 2221704658 SBHPPFSGOUHDAH-QMMMGPOBSA-N 493.873 7.259 50 10 JKGE Cn1nc([C@H](Cl)c2cc(Br)c(Br)cc2F)c(Br)c1Cl 2225634689 QISQXRZWGFNYSA-SECBINFHSA-N 495.799 5.828 50 10 JKGE Cc1cc(Br)c([C@H](Br)[C@@H]2C[C@]23CCOC3)c(C)c1Br 2227349344 RGZNMVZZGIJJCN-VQISRLSMSA-N 453.012 5.691 50 10 JKGE Cc1cc(Br)c([C@H](Br)C[C@H](C)C(C)(C)C)c(C)c1Br 2227350381 WQVOMTSVZAUBMB-GXFFZTMASA-N 455.072 7.337 50 10 JKGE Fc1cc(F)c([C@@H](Cl)c2cc(Br)sc2Br)c(F)c1Br 2227803289 OBSNVUYREBJQJF-VIFPVBQESA-N 499.371 6.781 50 10 JKGE Cc1ccc([C@@H](Br)c2c(Br)cc(Cl)c(Cl)c2Cl)cc1C 2232511904 LXMUPQJAEJLXBX-CYBMUJFWSA-N 457.420 7.510 50 10 JKGE CCOC1CC(C[C@@H](Br)c2c(Br)cc(Cl)c(Cl)c2Cl)C1 2232514261 ULGKXNVRQZQREM-AMDVSUOASA-N 465.440 7.051 50 10 JKGE Cc1ccc(I)c([C@H](Cl)c2cc(Br)cc3c2OCC3)c1 2240999973 DYKKNHHCEVXGIO-HNNXBMFYSA-N 463.540 5.625 50 10 JKGE Cc1cc([C@@H](Cl)c2sc(C)c(C)c2Br)ccc1I 2253505939 UPWHVVNRRBIAQL-CYBMUJFWSA-N 455.586 6.369 50 10 JKGE Cc1cc(Br)c([C@H](Br)c2ncsc2Br)c(C)c1F 2253512978 OPIMRGGUVOWIKO-VIFPVBQESA-N 457.988 5.908 50 10 JKGE COc1cc(Cl)c(Cl)cc1[C@H](Cl)c1cc(Br)sc1Br 2264372829 FPRINIMTWHZEHK-NSHDSACASA-N 465.421 6.917 50 10 JKGE CC(C)(C)OC(=O)N[C@@H](C[S@](C)(=O)=NCCCCCCCBr)C(C)(C)C 2277449048 NYKXODUAGJBHNN-QMTYFTJSSA-N 455.503 5.369 50 10 JKGE Cc1c(Br)sc([C@H](Br)Cc2ccc(Cl)c(F)c2)c1Br 2277902562 HXJXXXFIOLANRW-MRVPVSSYSA-N 491.445 7.053 50 10 JKGE Clc1cc(Br)c([C@H](Br)[C@@H]2COC3(CCC3)C2)c(Cl)c1Cl 2284738699 QCDHOWUTOGWXQQ-WRWORJQWSA-N 463.424 6.805 50 10 JKGE C[C@@H]1O[C@H](C)[C@H]([C@H](Br)c2c(F)cc(Br)c(F)c2Br)[C@H]1C 2288375198 BDJUWUVLKLAWOF-NKODLTJCSA-N 476.981 5.985 50 10 JKGE CC(C)(C)CCN(CCCl)C(=O)c1cc(Br)ccc1I 2289887332 IAQBGHBBGZMGLI-UHFFFAOYSA-N 472.592 5.171 50 10 JKGE COc1cc(C)c(Cl)cc1[C@H](Br)c1c(F)cccc1I 2295301552 NBKUONXMVNNCHO-HNNXBMFYSA-N 469.519 5.885 50 10 JKGE COc1ccc(C=C(C#N)C(=O)Nc2cccc(C(F)(F)F)c2)cc1COc1c(C)cccc1C 2295672334 NLRWHFAYPJDYKX-UHFFFAOYSA-N 480.486 6.456 50 10 JKGE CCOc1cc(C=C(C#N)C(=O)NCc2ccc3c(c2)OCO3)ccc1OCc1ccc(Cl)cc1 2295672615 BBLFRPCLXHKFDR-UHFFFAOYSA-N 490.943 5.270 50 10 JKGE Cc1ccc(C[C@H]2SC(=C(C#N)C(=O)Nc3ccccc3F)N(c3ccccc3)C2=O)cc1 2296506912 LIDSHIFKXLXQEB-HSZRJFAPSA-N 457.530 5.199 50 10 JKGE N#CC(=CNc1cc(C(F)(F)F)cc(C(F)(F)F)c1)S(=O)(=O)Cc1ccc(Cl)cc1 2297564430 XLGVGEWLXZCBCH-UHFFFAOYSA-N 468.806 5.769 50 10 JKGE O=S1(=O)CCC[C@@H]1[C@@H](Br)c1ccc(OCc2ccccc2)cc1Br 2299534340 CKSHYNXCPADMLB-MSOLQXFVSA-N 474.214 5.041 50 10 JKGE N#CC(=Cc1cn(Cc2cccc(Cl)c2)c2ccccc12)C(=O)Nc1ccc(Cl)c(Cl)c1 2313631919 ZBKGWFNPQIVRGI-UHFFFAOYSA-N 480.782 7.195 50 10 JKGE N#CC(=Cc1cn(Cc2ccc(Cl)cc2Cl)c2ccccc12)C(=O)Nc1cccc([N+](=O)[O-])c1 2313738542 GYMDFDPBRNWLHV-UHFFFAOYSA-N 491.334 6.450 50 10 JKGE CCc1ccc(N2C(=O)[C@@H](Cc3ccccc3C)SC2=C(C#N)C(=O)Nc2ccccc2)cc1 2314593586 PQAIUGJTUFXKGT-RUZDIDTESA-N 467.594 5.622 50 10 JKGE CCCOc1cccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)C=Cc4ccc(C)cc4)ccc32)c1 2314634828 RKWSKYQVLUHUFS-NDEPHWFRSA-N 466.537 5.621 50 10 JKGE CC[C@@]1(C)[C@H](Br)CCN1C(=O)c1scc(Br)c1Br 2315138858 LIUHPKYJJJRZGK-PELKAZGASA-N 460.029 5.051 50 10 JKGE CCCc1sc(Br)cc1[C@@H](Br)c1c(C)nsc1Br 2316169185 CBOPBRHPNXONFM-LLVKDONJSA-N 474.081 6.475 50 10 JKGE CC(C)(C)[C@H](C[C@@H](Br)c1sc(Cl)cc1I)C(F)F 2316601081 ORBQWQWNHSQVKX-RNFRBKRXSA-N 471.576 6.760 50 10 JKGE Fc1cc(Cl)c([C@H](Br)c2cc(Br)c(Br)s2)c(Cl)c1 2318359480 UMQYOJKSROAOBA-SNVBAGLBSA-N 497.836 7.203 50 10 JKGE CCc1cccc(CC)c1NC(=O)C(C#N)=CNc1ccc(-c2nc3ccc(C)cc3s2)cc1 2318463208 YROKUZJYFZFFMZ-UHFFFAOYSA-N 466.610 6.855 50 10 JKGE ClCc1cc(Br)cc(Br)c1OCc1nc(Br)cs1 2320001380 OOTDTHDJOGPCRT-UHFFFAOYSA-N 476.415 5.748 50 10 JKGE N#CC(=Cc1cccc(Br)c1)C(=O)NCC1(c2ccc(Cl)cc2Cl)CC1 2329694470 SCTFKQWCOXNKJW-UHFFFAOYSA-N 450.163 5.511 50 10 JKGE COc1cc(C(O)=C(C#N)c2nc(-c3cc(C(C)(C)C)ccc3OC)cs2)c([N+](=O)[O-])cc1OC 2331351013 JQUDVAUDRTUMHW-UHFFFAOYSA-N 495.557 5.991 50 10 JKGE COc1cc(C)c(-c2csc(C(C#N)=C(O)Cc3ccc(Cl)c(Cl)c3)n2)cc1C(C)C 2331352190 PWCDILDGDUDBHG-UHFFFAOYSA-N 473.425 7.593 50 10 JKGE COc1c(Cl)cc(-c2csc(C(C#N)=C(O)c3cc([N+](=O)[O-])cc([N+](=O)[O-])c3)n2)cc1Cl 2331397954 LWSSDLXGSMARAN-UHFFFAOYSA-N 493.284 5.892 50 10 JKGE N#CC(=Cc1cc2c(cc1[N+](=O)[O-])OCCO2)c1nc(-c2cccc(Br)c2)cs1 2331432736 UJVXCZZVFPWZJI-UHFFFAOYSA-N 470.304 5.316 50 10 JKGE Brc1ccc(OCc2ccccc2)c([C@@H](Br)c2ccccc2C2CC2)c1 2336055848 DFRCGPCYGDEGTI-QHCPKHFHSA-N 472.220 7.390 50 10 JKGE Clc1ccc(C[C@@H](CBr)C2CCCCCC2)cc1I 2337225257 JRKKKKGFBLXZQX-AWEZNQCLSA-N 455.605 6.469 50 10 JKGE Brc1ccc(OCc2ccccc2)c([C@H](Br)[C@@H]2C[C@H]3CCC[C@H]2CC3)c1 2338744987 SKEGGFGGMSNISN-VSCJKUSUSA-N 478.268 7.681 50 10 JKGE Cc1cc(Br)c(F)c(Br)c1[C@@H](Br)[C@@H]1CCCC1(F)F 2339646875 VWWCQPXPRZHHNV-XVKPBYJWSA-N 464.945 6.531 50 10 JKGE CCc1ccc([C@@H](Br)c2c(C)cc(Br)c(F)c2Br)o1 2339646900 WBRAUEDAJIHMCD-GFCCVEGCSA-N 454.959 6.299 50 10 JKGE Cc1cc(Br)c(F)c(Br)c1[C@@H](Br)[C@@H]1C[C@@H]1C(F)(F)F 2339653197 GZURHIPLJXQBSW-JHEQGTHGSA-N 468.908 6.294 50 10 JKGE Fc1cc(Cl)c(Br)c(Cl)c1[C@@H](Cl)c1ccc(Cl)cc1Br 2360430321 XHZFDKCTXVLMST-LBPRGKRZSA-N 481.801 7.639 50 10 JKGE FC(F)Oc1ccccc1[C@@H](Br)c1ccc(OCc2ccccc2)cc1Br 2361194173 GDNRACAIDIRVDV-FQEVSTJZSA-N 498.161 7.114 50 10 JKGE CC(C)[C@H](Br)C(C)(C)CNC(=O)c1cc(Br)cc(Br)c1 2365857977 RRWIWZZUAYQBPU-ZDUSSCGKSA-N 470.043 5.387 50 10 JKGE C[C@@](CI)(OCc1cccc(I)c1)c1ccccc1F 2367346388 WFMROQABKRSJNS-INIZCTEOSA-N 496.101 5.297 50 10 JKGE CC[C@@H](C)c1ccc(OCC(=O)NNC(=O)COc2ccccc2[C@H](C)CC)c(Br)c1 14832192 FJIMDAQKMIBLJE-IAGOWNOFSA-N 491.426 5.081 50 10 JKGE O=C(/C=C/c1nc2ccccc2o1)NNC(=O)c1ccc(CSc2nc3ccccc3s2)cc1 22598933 NJOIBFVOTUAPCZ-BUHFOSPRSA-N 486.578 5.204 50 10 JKGE CCOc1c(I)cc(/C=C(\C#N)c2nc3ccccc3s2)cc1OC 33471618 IGQWFQLXBOZOKQ-MDWZMJQESA-N 462.312 5.372 50 10 JKGE CCOC(=O)c1c(NC(=O)/C(C#N)=C\c2ccc(-c3ccc(C)cc3)o2)sc2c1CC[C@@H](C)C2 33928772 KTUNNOVWZSHKBU-SQFNAUOLSA-N 474.582 6.164 50 10 JKGE C[C@H]1Oc2ccccc2C=C1/C=C(/C#N)c1nc(-c2ccccc2)c(NC(=O)c2ccccc2)s1 34982828 YKNJSIGBCBEIKI-RJDQKLELSA-N 475.573 6.834 50 10 JKGE COc1cc(/C=C(\C#N)c2nc(-c3ccc(C)cc3)cs2)ccc1OCC(=O)Nc1nccs1 35520008 IPQRRJTUIXCIOT-YBFXNURJSA-N 488.594 5.665 50 10 JKGE CCOCCCN1C(=O)C(C#N)=C(C)/C(=C\c2ccc(-c3ccc(Cl)cc3Cl)o2)C1=O 38606551 GGPFAQREBOJQSH-LDADJPATSA-N 459.329 5.272 50 10 JKGE N#CC1=C(N)Oc2cc(OC(=O)Cc3cccc4ccccc34)ccc2[C@@H]1c1cccc(Cl)c1 38651216 ABJJMPBSANEZCN-MHZLTWQESA-N 466.924 5.859 50 10 JKGE N#C/C(=C\c1ccc(-c2cccc(C(F)(F)F)c2)o1)C(=O)Nc1cc(Cl)ccc1Cl 39884599 YZKRENBLSJHIHM-UKTHLTGXSA-N 451.231 6.818 50 10 JKGE Cc1cc(Oc2ncnc(NNC(=O)c3ccc(Cl)cc3Cl)c2[N+](=O)[O-])cc(C)c1Cl 40658801 HGIBMXYOVFMNCM-UHFFFAOYSA-N 482.711 5.511 50 10 JKGE Cc1c(C(=O)NC2CCCC2)oc2c1/C(=N/NC(=O)c1ccc(-c3ccccc3)cc1)CCC2 40822514 VFMWUPMEBSABHM-JJKYIXSRSA-N 455.558 5.398 50 10 JKGE COc1ccc(/C=C(/C#N)C(=O)Nc2cccc(Cl)c2)cc1OCc1ccc(Cl)cc1 59117060 QDWYUJSJPBTLGH-WQRHYEAKSA-N 453.325 6.127 50 10 JKGE COc1cc(/C=C(/C#N)C(=O)Nc2ccc(C)cc2)cc(Cl)c1OCc1ccccc1F 59335345 LMDFDYJUEBWSLE-ODLFYWEKSA-N 450.897 5.921 50 10 JKGE Cc1ccc(-n2c(C)cc(/C=C(/C#N)C(=O)OCc3cc(=O)n4c(n3)sc3ccccc34)c2C)cc1 96450115 ULLKGHKISCZRPL-BKUYFWCQSA-N 494.576 5.276 50 10 JKGE CC(C)(CBr)COc1c(Br)cc(Br)cc1Br 96869904 LCEYDQDUAFYEDR-UHFFFAOYSA-N 479.832 5.774 50 10 JKGE CC1=C(C#N)C(=O)N(Cc2ccco2)C(=O)/C1=C/c1ccc(OCc2ccccc2Cl)cc1 101336875 QTTHZERGSMEPKJ-LPYMAVHISA-N 458.901 5.304 50 10 JKGE CCOc1ccc(Br)cc1[C@@H](Cl)c1ccccc1I 104046822 GNBCDQWRSYKYTJ-HNNXBMFYSA-N 451.529 5.781 50 10 JKGE C[C@@]12CC[C@@H]3c4ccc(O)cc4CC[C@H]3[C@@H]1CC/C2=N/NC(=O)C(O)(c1ccccc1)c1ccccc1 105436489 MYCPNYBYHGFOKA-ZISLHXCMSA-N 494.635 5.657 50 10 JKGE O=C(N[C@H]1c2ccccc2C[C@@H]1Br)c1cc(Br)c(Br)s1 123755933 AQJLYWFWTSHLNF-CABZTGNLSA-N 480.019 5.064 50 10 JKGE C[C@@H]1COc2ccc([C@@H](Br)c3csc(I)c3)cc2OC1 124440893 XBTCVCSPNWWKFA-RFAUZJTJSA-N 465.150 5.244 50 10 JKGE COc1cc([C@H](Br)c2cc(Br)c(Br)s2)ccc1C 128213033 MWNHATOOGCUULM-LBPRGKRZSA-N 455.009 6.074 50 10 JKGE Clc1cc([C@H](Br)c2csc3c(Br)cccc23)ccc1Br 129205827 YDPNXOUVYPAZRT-AWEZNQCLSA-N 495.461 7.564 50 10 JKGE Cl[C@H](c1cc(Br)ccc1Br)c1cc2c(cc1Br)OCCO2 161070775 POKGXCFQKSASJX-OAHLLOKOSA-N 497.408 6.074 50 10 JKGE Cc1ccc2[nH]c(C3CCN(C(=O)N[C@@H]4CC(C)(C)C[C@@](C)(CN=C=O)C4)CC3)c(C)c2c1 170290680 QSKHYLHBZAODPF-ZBLYBZFDSA-N 450.627 5.595 50 10 JKGE CCOc1cccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)/C=C\c4ccc(C)cc4)ccc32)c1 205659813 SMMKSSAOOBGZCI-IRWNJFDWSA-N 452.510 5.231 50 10 JKGE COC(=O)/C(C#N)=C/c1cccc(OC(=O)/C=C\c2ccc(OCc3ccccc3C)c(OC)c2)c1 206691888 CAAQFVBOEJMJRJ-LEVWYKDJSA-N 483.520 5.281 50 10 JKGE Cc1cc(I)ccc1NC(=O)/C(C#N)=C\N[C@@H](C)C12CC3CC(CC(C3)C1)C2 217253791 WDVXJPZHICQHDU-ABMGTTLASA-N 489.401 5.140 50 10 JKGE Brc1cc([C@H](Br)C2Cc3ccccc3C2)sc1Br 232471210 ASZSBVPIYVYDSA-CYBMUJFWSA-N 451.021 6.124 50 10 JKGE O=C(Nc1ccc(CBr)cc1)c1cc(I)ccc1Br 232486587 ZVWGGDOLRCLKAA-UHFFFAOYSA-N 494.952 5.201 50 10 JKGE CCOc1ccc([C@@H](Cl)c2cc(Br)cc(Br)c2)c(Br)c1 233796182 OIWMQLGVEJLGNM-HNNXBMFYSA-N 483.425 6.701 50 10 JKGE Clc1cc(Br)cc([C@@H](Br)Cc2cccc(Br)c2)c1 236067627 WEPCGZHTRMEAOU-AWEZNQCLSA-N 453.399 6.544 50 10 JKGE CCn1c2ccccc2c2cc(C=NNC(=O)[C@H]3CC3(c3ccccc3)c3ccccc3)ccc21 252462561 UFGNBYDDHAVPGF-HHHXNRCGSA-N 457.577 6.271 50 10 JKGE C[C@H]1[C@H](n2c(CCCl)nc3cc(F)c(Br)cc32)CCN1Cc1ccccc1 312714944 GPVPKBGHZZNUST-IFXJQAMLSA-N 450.783 5.555 50 10 JKGE COc1cc([C@@H](Br)c2ccc(OCc3ccccc3)cc2)c(OC)cc1Br 312909917 KOKRFMPWMHPFNV-QFIPXVFZSA-N 492.207 6.530 50 10 JKGE O=C(OCc1ccccc1)N1C[C@H](c2ccc(Br)cc2F)[C@@H](CBr)C1 382703168 QEHFRYUNRKJYFP-YOEHRIQHSA-N 471.164 5.335 50 10 JKGE CCc1cc(C)sc1[C@@H](Br)c1cc(Br)c(Br)s1 384039913 QDSFRKAPFYLPCC-JTQLQIEISA-N 459.066 6.690 50 10 JKGE Fc1ccc(C(CBr)(CBr)Cc2ccsc2Br)cc1 388748223 MYDJCXDMGOSDAT-UHFFFAOYSA-N 471.027 5.920 50 10 JKGE C[C@H]1CN(Cc2ccccc2)CC[C@@H]1n1c(CCl)nc2cc(I)c(F)cc21 397985212 YPSIGEBNJQYWBA-LIRRHRJNSA-N 497.783 5.602 50 10 JKGE Clc1cc([C@@H](Cl)c2cc(Cl)c(Cl)c(Cl)c2Cl)ccc1Br 404833355 IBKWALSACKERPD-SNVBAGLBSA-N 453.805 8.044 50 10 JKGE CC(C)(C)[Si](C)(C)OCc1ccc([C@H]2CCc3ccccc3N2S(=O)(=O)c2ccccc2)cc1 616668136 HMQVWUJQIKTLEV-HHHXNRCGSA-N 493.745 7.091 50 10 JKGE Brc1cc2c(c([C@H](Br)c3ccc(Br)o3)c1)OCCC2 688373200 ZRJBMKQCQOVXFM-ZDUSSCGKSA-N 450.952 5.614 50 10 JKGE CCCOc1ccc([C@H](Br)c2ccsc2Br)cc1Br 704948850 WZRZLNQGBYSVMK-ZDUSSCGKSA-N 469.036 6.546 50 10 JKGE C[C@@H](Br)CC(C)(C)CNC(=O)c1scc(Br)c1Br 705438055 JPCHEZMXSWTOQM-SSDOTTSWSA-N 462.045 5.203 50 10 JKGE COc1ccc(Br)cc1COc1cccc(Br)c1CBr 706855759 QLPDWCBOBMIFFG-UHFFFAOYSA-N 464.979 5.694 50 10 JKGE O=C(NC1(CBr)CCCCCC1)c1cc(Br)sc1Br 713458844 FTWGZPZBTZSLSJ-UHFFFAOYSA-N 474.056 5.491 50 10 JKGE Brc1ccc(Br)c([C@H](Br)[C@@H]2CCC[C@H]3CCCC[C@H]32)c1 714468249 PMTZGUPXVYWRQS-LSCFUAHRSA-N 465.067 7.254 50 10 JKGE O=C(NN=Cc1cccc(OCc2ccccc2Cl)c1)C(O)(c1ccccc1)c1ccccc1 1084042877 GEKCSCBPEUMLKS-UHFFFAOYSA-N 470.956 5.305 50 10 JKGE CC(C)(C)c1ccc(OCC(=O)NN=Cc2ccccc2C(F)(F)F)c(Br)c1 1084072577 DYRZDCOFLWJSAY-UHFFFAOYSA-N 457.290 5.295 50 10 JKGE O=C(Oc1ccc(C=NNC(=O)c2cccc3ccccc23)cc1)c1sc2ccccc2c1Cl 1084166255 SSPBBDWBPPVQPP-UHFFFAOYSA-N 484.964 6.691 50 10 JKGE Cc1cc(C=NNC(=O)C(=O)Nc2cccc(Cl)c2)c(C)n1-c1cccc(Cl)c1Cl 1084180412 UJXUOLOSRCIVFC-UHFFFAOYSA-N 463.752 5.143 50 10 JKGE Cc1cc(C=NNC(=O)C(=O)Nc2ccc(C(C)C)cc2)c(C)n1-c1cc(Cl)cc(Cl)c1 1084339365 FFOLKDUIYAUSGY-UHFFFAOYSA-N 471.388 5.613 50 10 JKGE N#C/C(=C/c1ccc(OC(=O)c2ccc(Cl)cc2Cl)cc1)C(=O)Nc1cccc2ccccc12 1084570015 XHJKGHXVYWNZKE-RGEXLXHISA-N 487.342 6.911 50 10 JKGE Cc1c(C(=O)Oc2ccc3ccccc3c2)oc2c1C(=NNC(=O)c1ccc(F)cc1)CCC2 1772744985 NZBQETZGZRTIPA-UHFFFAOYSA-N 456.473 5.570 50 10 JKGE CCCCOc1ccc([C@H]2C(C#N)=C(N)Oc3c2c(CC)nn3Cc2ccccc2F)cc1OCC 1865687503 SNAKSLNPDYTWJL-VWLOTQADSA-N 490.579 5.429 50 10 JKGE CCOc1ccc([C@@H]2C(C#N)=C(N)Oc3c2c(-c2ccccc2)nn3CC(C)C)cc1OCC 1865689988 YIMVXGXMSIMEBG-HSZRJFAPSA-N 458.562 5.222 50 10 JKGE Cn1cc([C@@H]2C(C#N)=C(N)Oc3c2c(C(F)(F)F)nn3-c2ccccc2Cl)c2ccccc21 1865699531 WJPRDVCGCQANKL-SFHVURJKSA-N 469.854 5.254 50 10 JKGE CCc1nn(Cc2ccccc2Cl)c2c1[C@H](c1ccc(N(CC)CC)cc1)C(C#N)=C(N)O2 1865702520 WMYNMKDPBVXDPK-HSZRJFAPSA-N 461.997 5.212 50 10 JKGE CCCOc1ccccc1[C@@H]1C(C#N)=C(N)Oc2c1c(C(F)(F)F)nn2-c1ccc(Cl)cc1 1865702832 GIJZDNTXOGYKPI-GOSISDBHSA-N 474.870 5.551 50 10 JKGE Cc1ccc(-n2nc(-c3ccccc3)c3c2OC(N)=C(C#N)[C@@H]3c2ccccc2OC(C)C)cc1 1865705357 SYSMUOIXPAPKCT-VWLOTQADSA-N 462.553 5.853 50 10 JKGE CCc1ccc([C@@H]2C(C#N)=C(N)Oc3c2c(-c2ccc(OC)cc2)nn3Cc2ccccc2Cl)cc1 1865709690 ZOSRBNPEPIMFFB-RUZDIDTESA-N 496.998 6.041 50 10 JKGE CC[C@H](C(=O)N[C@H](C(=O)Nc1ccc(SC#N)cc1)c1ccccc1)c1ccc(Cl)cc1 1866948440 GTUQZZKHRREODP-GOTSBHOMSA-N 463.990 5.903 50 10 JKGE COc1cc(/C=C(\C#N)c2ccc(C(=O)OC(C)C)o2)ccc1OC(=O)c1cccc([N+](=O)[O-])c1 1872728836 XDVOHSXPJVDSQG-WOJGMQOQSA-N 476.441 5.045 50 10 JKGE COc1ccc(-c2csc(/C(C#N)=C(\O)CCCCCNC(=O)c3ccccc3)n2)cc1OC 1872745567 TWJXQBVKFQUKPW-XDOYNYLZSA-N 477.586 5.610 50 10 JKGE CC(C)(C)c1ccc(-c2csc(/C(C#N)=C(\O)CN3C(=O)c4ccc([N+](=O)[O-])cc4C3=O)n2)cc1 1872750278 AAIYPHRLGAQWSQ-VZCXRCSSSA-N 488.525 5.105 50 10 JKGE CCc1cccc(CC)c1N1C[C@H](/C(O)=C(\C#N)c2nc(-c3c[nH]c4ccccc34)cs2)CC1=O 1872753269 OSUIOYKTIPNMIV-FAHHEKPQSA-N 482.609 6.262 50 10 JKGE Cc1ccc(C(C)(C)C)cc1-c1csc(/C(C#N)=C(\O)CCCOc2ccc3ccccc3c2)n1 1872755844 IZAPAVKDHGYUCJ-SGEDCAFJSA-N 482.649 8.221 50 10 JKGE COc1ccc(-c2csc(/C(C#N)=C(\O)CCCOc3ccc(Cl)cc3Cl)n2)cc1Cl 1872757703 SATVIOTXLOKVOG-CYVLTUHYSA-N 495.815 7.431 50 10 JKGE COc1cc(/C=C(\C#N)c2nc(-c3ccc(C(C)C)cc3)cs2)cc(Br)c1OC(C)C 1872791207 BJYLNQGWVRPSIQ-KEBDBYFISA-N 497.458 7.556 50 10 JKGE CC(C)(C)OC(=O)N[C@H](CBr)[C@H]1CCN(C(=O)OC(C)(C)C)[C@@H](C2CCC2)C1 1891090722 PLJDIWSQXLQHMG-GVDBMIGSSA-N 461.441 5.090 50 10 JKGE Cc1oc(Br)cc1[C@@H](Cl)c1sc(Cl)cc1I 1900919933 QOEJNEXFBWPSSZ-SECBINFHSA-N 451.938 5.998 50 10 JKGE C[C@H]1CN(Cc2ccccc2)CC[C@H]1n1c(CCl)nc2c(Br)cc(F)cc21 1912683298 GAXMFFRMYLFLKO-KBXCAEBGSA-N 450.783 5.760 50 10 JKGE O=S(=O)(c1ccc(Cl)c(F)c1Cl)N(Cc1ccccc1)[C@H](CBr)C1CC1 1915171695 GNSKRESTNUTZGI-OAHLLOKOSA-N 481.214 5.497 50 10 JKGE Fc1c([C@H](Br)c2sc(Br)cc2Br)cccc1C(F)(F)F 1922890078 ANQCSLIFGGNGGZ-VIFPVBQESA-N 496.943 6.915 50 10 JKGE C[C@@H]1CCCC[C@H]1[C@H](Br)c1c(Br)sc(Br)c1Cl 1923063319 YCKRNODPHFFCAE-BHNWBGBOSA-N 465.476 7.189 50 10 JKGE C[C@@H]([C@@H](Br)c1c(Br)sc(Br)c1Cl)C(F)(F)F 1984587092 WBTVOSNQJHGDSK-ZAFYKAAXSA-N 465.354 6.561 50 10 JKGE Cl[C@@H](c1cc(I)sn1)c1ccc(Br)cc1Br 1994121496 AQTWIAKAIBRKRZ-SNVBAGLBSA-N 493.389 5.601 50 10 JKGE Cc1nn(C)c(Br)c1[C@H](Cl)c1sc(Br)cc1Br 2013206675 ZRGJPOAMIOXXJO-QMMMGPOBSA-N 463.420 5.406 50 10 JKGE BrCc1cc(Br)ccc1N1C[C@@H]2CCN(Cc3ccccc3)[C@H]2C1 2015064048 BKLGVJDAHOBBTI-JXFKEZNVSA-N 450.218 5.055 50 10 JKGE CCc1sc(Br)cc1[C@@H](Br)c1ccc(F)c(Br)c1 2030224841 ZLIDBEGCPNUAPT-ZDUSSCGKSA-N 457.000 6.459 50 10 JKGE Brc1cc([C@@H](Br)[C@@H]2CCn3ccnc3C2)sc1Br 2046634027 OLFITQKRPQVGEG-HQJQHLMTSA-N 455.013 5.168 50 10 JKGE Cl[C@H](c1c(Br)sc(Br)c1Br)[C@@H]1C[C@@H]2CCC[C@@H]2C1 2063506774 BLAXPQVKJWVJEX-RFOGZPIASA-N 477.487 7.142 50 10 JKGE C[C@@H](Br)[C@H](NCc1c(Br)cccc1Br)C(F)(F)F 2074719456 HFPKQCGRGMAJQY-LDWIPMOCSA-N 453.922 5.016 50 10 JKGE FC(F)(F)c1ccc(Cn2nc(CBr)c3c2C[C@@H]2C[C@@H]32)cc1Br 2080758477 BRMDKKNGDJSOBQ-VHSXEESVSA-N 450.096 5.267 50 10 JKGE Cc1sc(Br)c([C@@H](Br)c2c(Br)nn(C)c2C)c1C 2082886779 YQVDCHNGEWZIMT-SNVBAGLBSA-N 457.029 5.416 50 10 JKGE Cc1cc(Br)c([C@H](Br)[C@H]2C(F)(F)C23CCC3)cc1Br 2093466044 QJHGZDKRWXLYGA-NWDGAFQWSA-N 458.966 6.391 50 10 JKGE F[C@@H]1CC[C@@H](CC(CBr)(CBr)c2ccc(Br)cc2)C1 2093926528 GCQFFOANYZFSLC-BXUZGUMPSA-N 457.019 6.005 50 10 JKGE Cn1nc([C@H](Br)c2cc(Cl)c(Br)cc2F)c(Cl)c1Cl 2094340353 WSHRNTYCLNYCJU-MRVPVSSYSA-N 451.348 5.766 50 10 JKGE Clc1ccc(I)c(C[C@@H]2C[C@@H]3CCCC[C@@H]3[C@H]2Br)c1 2095361134 ZOEFHBWTYASDPH-ZAJUMQRFSA-N 453.589 6.077 50 10 JKGE COc1ccc(C)c([C@@H](Br)c2sc(Br)c(C)c2Br)c1 2109590904 PCDAAIWEMXTBNJ-GFCCVEGCSA-N 469.036 6.383 50 10 JKGE CCCCO[C@@H]1[C@@H](Br)C[C@@H]1Oc1ccc(Br)cc1Br 2118395894 VPDVKSGCJAFHMK-FPMFFAJLSA-N 457.000 5.312 50 10 JKGE Cl[C@H](c1cc(I)sn1)c1ccc(Br)c2ccccc12 2120032785 PELDIKGKHLCUKN-AWEZNQCLSA-N 464.553 5.992 50 10 JKGE O=S(=O)(c1c(CBr)sc2ccccc12)N(Cc1ccccc1)CC1CC1 2123248002 UANUUETVWOKJPO-UHFFFAOYSA-N 450.423 5.397 50 10 JKGE C[C@@H](c1nscc1Br)N(C)c1cccc(Br)c1CBr 2130029415 DNILKULXYFLZMA-QMMMGPOBSA-N 469.040 5.760 50 10 JKGE CC(C)(C)OC(=O)N1CCC(CI)(OC[C@H]2C[C@@H]2c2ccccc2)CC1 2135980201 PNRGIRFNLIJARC-QZTJIDSGSA-N 471.379 5.011 50 10 JKGE CC(C)(C)OC(=O)N1CCC(CI)(OC[C@@H]2C[C@@H]2c2ccccc2)CC1 2135980203 PNRGIRFNLIJARC-ZWKOTPCHSA-N 471.379 5.011 50 10 JKGE Cc1ccc([C@H](Br)c2ccc(Br)c(C)c2Br)cc1F 2138876092 LZQPNBFNTAJPPG-HNNXBMFYSA-N 450.971 6.452 50 10 JKGE Cc1cc([C@@H](Cl)c2cc(F)c(Br)cc2F)ccc1I 2142140587 KZTIVQGTAMBFGZ-CQSZACIVSA-N 457.483 5.969 50 10 JKGE C[C@@](CI)(OCCOC1CCCC1)c1ccccc1Br 2143652408 YDAWSQNDPBIRDR-INIZCTEOSA-N 453.158 5.075 50 10 JKGE COc1cc(Cl)c([C@@H](Cl)c2c(Br)cccc2Br)cc1Cl 2150493888 NRLVFYCDYMJQQP-CQSZACIVSA-N 459.392 6.855 50 10 JKGE Fc1cc(Cl)c(Br)cc1[C@H](Br)c1ccsc1C(F)(F)F 2157624118 GMIFMHCAFXPNDG-SNVBAGLBSA-N 452.492 6.806 50 10 JKGE CN(Cc1cc(Cl)ccc1I)C[C@H](Br)C1CCCCC1 2167643204 MHGCLQNHPZLCTD-HNNXBMFYSA-N 470.620 5.720 50 10 JKGE Cl[C@@H](Cc1ccc2c(c1)CCO2)c1cc(Br)ccc1I 2168652577 ILCRRNKTYHCZJW-AWEZNQCLSA-N 463.540 5.511 50 10 JKGE O=C(c1csc(Br)c1Br)N1C[C@]2(F)CCC[C@]2(CBr)C1 2176630554 PKSMQQAAULNSOW-QWHCGFSZSA-N 490.030 5.002 50 10 JKGE COc1cc(C)c([C@H](Br)c2c(F)cccc2Br)cc1Br 2198737927 URJSHFNSKFWDLO-HNNXBMFYSA-N 466.970 6.152 50 10 JKGE COc1c(Cl)cc(Br)cc1[C@H](Cl)c1cccc(F)c1I 2202993075 RCHCGTGXIPAXPZ-GFCCVEGCSA-N 489.937 6.183 50 10 JKGE COc1c(Cl)cc(Br)cc1[C@H](Cl)c1cccc(Br)c1Cl 2203000540 UHSJOXPYWXYPJN-GFCCVEGCSA-N 459.392 6.855 50 10 JKGE CC[C@@]12CC[C@@]([C@@H](Br)c3ccc(Br)c(C)c3Br)(CO1)C2 2203682113 CPHDOZNTAFXVRI-JYJNAYRXSA-N 467.039 6.305 50 10 JKGE COc1c(Br)cc(C)cc1[C@H](Cl)c1ccc(I)c(Cl)c1 2203814531 JNPHPCNPFUKUDY-CQSZACIVSA-N 485.974 6.352 50 10 JKGE O=C(c1cc(Br)c(Br)s1)N1CC[C@@H]2CC[C@H](Br)C[C@@H]2C1 2204095023 LRFFHNIBAQVXES-AEJSXWLSSA-N 486.067 5.299 50 10 JKGE Fc1cc(Br)cc(Oc2ccc(Cl)c(Cl)c2Br)c1CCl 2206354915 SFDBLBDGZVUUME-UHFFFAOYSA-N 463.355 7.189 50 10 JKGE CN(Cc1ccc(I)c(Cl)c1)C1(CBr)CC2(CCC2)C1 2208035725 HFUOZXPVXGSJFQ-UHFFFAOYSA-N 468.604 5.474 50 10 JKGE CC(C)(C)[C@H](Br)CCc1sc(Br)c(Br)c1Br 2212199801 GNKAPWVTUXRKAI-SSDOTTSWSA-N 497.916 6.778 50 10 JKGE Cc1c(Br)sc([C@H](Br)c2cc(Br)c(Cl)s2)c1C 2213625212 SNMOZMMHBJXGLO-MRVPVSSYSA-N 479.484 7.089 50 10 JKGE Cc1cc([C@H](Cl)c2c(C)sc(Br)c2C)ccc1I 2218808998 VAQXIBWIXIOHDA-ZDUSSCGKSA-N 455.586 6.369 50 10 JKGE Fc1cc(F)c([C@@H](Br)c2sncc2Br)c(F)c1Br 2220496174 DEEZHCOCMWYLIO-MRVPVSSYSA-N 465.914 5.570 50 10 JKGE Cn1nc([C@H](Cl)c2cc(Br)c(Br)cc2F)c(Cl)c1Cl 2225632341 BMDHZYRIIMQYGO-MRVPVSSYSA-N 451.348 5.719 50 10 JKGE Cc1cc(Br)c([C@H](Br)[C@H]2C[C@@H]2C2CCC2)c(C)c1Br 2227359477 IMSOZHURAJLVMP-BFQNTYOBSA-N 451.040 6.701 50 10 JKGE FC(F)(F)CCCCO[C@H](CI)c1ccccc1Br 2230092410 CCNXOZJIZOZSNZ-GFCCVEGCSA-N 451.064 5.674 50 10 JKGE CC(C)(C)[C@H](C[C@@H](Br)c1cc(Br)c(Br)cc1F)C(F)F 2233978212 ZBQBHUUJZALICB-RKDXNWHRSA-N 480.988 7.104 50 10 JKGE O=C(Nc1ccccc1CCBr)c1c(Br)cccc1Br 2239258234 UYNHMIYSANKQEB-UHFFFAOYSA-N 461.979 5.401 50 10 JKGE COc1cccc([C@@H](Br)c2ccc(Br)cc2Br)c1Cl 2268262278 RYSKRLLIHIFGRH-ZDUSSCGKSA-N 469.398 6.358 50 10 JKGE COc1ccc([C@@H](Br)c2ccc(C)c(Br)c2)cc1I 2269554115 DLAUFDWCSUBKOL-HNNXBMFYSA-N 495.980 5.855 50 10 JKGE COc1cc(Cl)c(Cl)cc1[C@H](Br)c1cccc(F)c1I 2279057365 YBDUNORACTVEQH-CYBMUJFWSA-N 489.937 6.230 50 10 JKGE COc1cc(F)c([C@H](Br)c2cccc(Cl)c2Br)cc1Br 2283191186 ITOUOIIHWHTUAL-CYBMUJFWSA-N 487.388 6.497 50 10 JKGE COc1ccc([C@H](Br)[C@]2(C)CCCC(F)(F)C2)cc1I 2285005076 VFXBYCCTZFVHJZ-UONOGXRCSA-N 459.112 5.951 50 10 JKGE COc1ccc([C@@H](Cl)c2cc(F)c(Br)cc2F)cc1I 2285013699 URWDRWKMLWWMFG-CQSZACIVSA-N 473.482 5.669 50 10 JKGE Fc1cc(Br)c(F)c(Br)c1[C@H](Cl)c1ccc(Cl)cc1Cl 2288350491 AAHFBIDBMWNZPX-GFCCVEGCSA-N 465.346 7.125 50 10 JKGE COc1ccc(C=C(C#N)C(=O)Nc2ncc(Cc3ccc(C)c(Cl)c3)s2)cc1OC 2293031421 XMOHXWFIPLZSPL-UHFFFAOYSA-N 453.951 5.259 50 10 JKGE CCOC(=O)c1ccc(NC(=O)C(C#N)=Cc2cccc(OCc3cccc4ccccc34)c2)cc1 2295172585 DWOLNQMQRNQAIV-UHFFFAOYSA-N 476.532 6.141 50 10 JKGE Cc1ccc(CBr)cc1NC(=O)c1cc(Br)ccc1Br 2296125721 HEXZYTGFCVJVMP-UHFFFAOYSA-N 461.979 5.667 50 10 JKGE CCc1ccc([C@@H](Br)c2ccc(OCc3ccccc3)cc2Br)s1 2299491853 BFWRAPPBFDHMKG-FQEVSTJZSA-N 466.238 7.136 50 10 JKGE Brc1cc(OCc2ccccc2)ccc1[C@H](Br)[C@@H]1[C@H]2CCOC[C@@H]21 2299508494 JVNMQHYGJDKFOZ-UUXHPUJUSA-N 452.186 5.747 50 10 JKGE CC(C)[C@H](CCl)N(Cc1ccccc1)C(=O)c1ccc(Cl)cc1I 2301794857 BMHXAQACOMFISI-SFHVURJKSA-N 476.185 5.850 50 10 JKGE C=CCc1cc(C=C(C#N)C(=O)Nc2ccc(C)cc2)cc(OCC)c1OCc1ccc(C(=O)O)cc1 2313570776 FZLZWGVOALWPOO-UHFFFAOYSA-N 496.563 5.945 50 10 JKGE Cc1ccc(COc2ccc(Br)cc2C=C(C#N)C(=O)Nc2ccc(C)cc2)cc1 2313571379 UXJPOVACLVQKDF-UHFFFAOYSA-N 461.359 6.191 50 10 JKGE COC(=O)c1cccc(Cn2cc(C=C(C#N)C(=O)Nc3ccc(C)c(C)c3)c3ccccc32)c1 2313676858 QKHKDWDSGVKDNZ-UHFFFAOYSA-N 463.537 5.639 50 10 JKGE Brc1cc(OCc2ccccc2)ccc1[C@@H](Br)[C@H]1[C@H]2CCCCC[C@H]21 2314438985 DEXJZOXCZBBYLW-GMQQQROESA-N 464.241 7.290 50 10 JKGE CCCSc1ccc(-c2nn(-c3ccccc3)cc2C=C(C#N)C(=O)Nc2ccc(C)cc2)cc1 2314478481 NPHCXJBSHNRHJN-UHFFFAOYSA-N 478.621 6.896 50 10 JKGE Cl[C@@H](Cc1cccc(Br)c1)c1cc(Br)ccc1OCc1ccccc1 2314502759 LQDJQVBOFROCQW-FQEVSTJZSA-N 480.627 7.313 50 10 JKGE Cc1ccccc1NC(=O)C(C#N)=C1S[C@H](Cc2ccccc2)C(=O)N1c1ccc(C(C)C)cc1 2314591995 JCNNRODELINBGX-AREMUKBSSA-N 481.621 6.183 50 10 JKGE Cc1ccc(C=CC(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@H]3c2ccc(Br)cc2)cc1 2314634172 WNJBBUHPGJTIRS-VWLOTQADSA-N 487.353 5.595 50 10 JKGE CCOC(=O)c1c(-c2ccc(C)cc2C)csc1NC(=O)C(C#N)=Cc1ccc(Cl)cc1 2314793216 OEYOQEYVNFJTGS-UHFFFAOYSA-N 464.974 6.408 50 10 JKGE CCCCCCCCCOc1ccc(C=NNC(=O)[C@H](C)NC(=O)OC(C)(C)C)cc1Cl 2328818692 MXBDSDNSWUKKMD-SFHVURJKSA-N 468.038 5.833 50 10 JKGE Cc1cccc(C)c1OCCCC(O)=C(C#N)c1nc(-c2cccc(Br)c2)cs1 2331278881 QNVLMSBORYBIJL-UHFFFAOYSA-N 469.404 6.841 50 10 JKGE CCCCCCOc1ccc(C=C(C#N)c2nc(-c3cc(OC)ccc3OC)cs2)cc1OC 2331450397 DMVYQQLYJBHZQC-UHFFFAOYSA-N 478.614 6.859 50 10 JKGE CCCCOc1ccc(C=C(C#N)c2nc(-c3cc(Cl)cc(C)c3OC)cs2)cc1OC 2331474636 XBRWYBCVZMQLDZ-UHFFFAOYSA-N 469.006 7.032 50 10 JKGE Fc1cc(Br)c(F)c(Br)c1[C@@H](Br)C[C@@]12CCC[C@@H]1C2 2334719260 DOWNEMCIYMWVPB-CMCSKWMBSA-N 458.966 6.506 50 10 JKGE CC1(C)[C@H]([C@@H](Br)c2c(Cl)cc(Br)c(F)c2Br)C1(F)F 2337085526 ZGMZMNFFQDWBTF-WPRPVWTQSA-N 485.363 6.731 50 10 JKGE CC(C)(C)OC(=O)NCC[C@H]1CCN(CCCCCI)[C@H](C(F)(F)F)C1 2337586832 BZXMAHAKZWBYGJ-GJZGRUSLSA-N 492.364 5.149 50 10 JKGE C[C@]12C[C@H](C1)[C@@H]([C@H](Br)c1cc(Br)c(Br)cc1F)CO2 2337696822 FHRWLYWFKZFZEI-FTDRVULPSA-N 456.975 5.602 50 10 JKGE COc1c(Br)cc(C)c([C@H](Br)[C@H]2CCO[C@@H]2C)c1Br 2339651838 SRFKYYSXLLDRDX-VDDIYKPWSA-N 457.000 5.390 50 10 JKGE CCC(C)(CC)[C@@H](Br)c1c(C)cc(Br)c(OC)c1Br 2339658044 DPXGGOYMOONCDW-AWEZNQCLSA-N 457.044 6.791 50 10 JKGE Cc1cc(Br)c(F)c(Br)c1[C@H](Br)[C@@H]1CCO[C@@H](C)C1 2339684758 CHZYUHHRVFVBKQ-YGOYTEALSA-N 458.991 5.910 50 10 JKGE Brc1cccc(Br)c1CO[C@H]1CCCCCC[C@H]1Br 2340565232 BBWJLNLVZJTHFU-CABCVRRESA-N 455.028 6.215 50 10 JKGE Cc1cc(Br)c(C)c([C@@H](Br)[C@@H]2CCC[C@H]2C(C)C)c1Br 2357916726 GLYOYBJJUGITLZ-AHIWAGSCSA-N 467.083 7.337 50 10 JKGE Cc1c([C@H](Cl)c2c(F)cc(Cl)c(Br)c2Cl)c(Br)nn1C 2360487716 XIDPJWVGYLEUQH-JTQLQIEISA-N 465.375 6.028 50 10 JKGE Cc1c(Br)ccc([C@H](Br)[C@H]2C[C@H]3CCC[C@H]2CC3)c1Br 2364129766 KDZLBUZXCCSQGV-GWIFVGGISA-N 465.067 7.172 50 10 JKGE Clc1ccc([C@H](Br)c2ccc3c(c2)CCCO3)c(I)c1 2365598420 QDQVVMOWFQEIRA-MRXNPFEDSA-N 463.540 5.754 50 10 JKGE Cc1c(Br)sc([C@H](Br)CCc2cc(Cl)cc(Cl)c2)c1C 2366791730 CHSIMPJPBVDKKX-CYBMUJFWSA-N 457.058 7.503 50 10 JKGE Clc1ccc(I)cc1CN1CCCC12CCC(Br)CC2 2380514001 XPDGAOWVBAAYHW-UHFFFAOYSA-N 468.604 5.617 50 10 JKGE Cc1ccc(CCl)c(OCc2ccc(Cl)cc2I)c1Br 2380681543 ZPFQLLZNJZQTLK-UHFFFAOYSA-N 485.974 6.333 50 10 JKGE CC(C)(C)Oc1ccc([C@H](Br)c2cnsc2Br)cc1Br 2381300099 UEZKFMJJMZFCQZ-LBPRGKRZSA-N 484.051 6.330 50 10 JKGE C=CCOc1c(Br)cc(Br)cc1/C=C(/C#N)c1nc2ccccc2[nH]1 6014772 IXRCQKWXMUASIR-JYRVWZFOSA-N 459.141 5.717 50 10 JKGE O=C(C=C(Sc1ccccc1)Sc1ccccc1)N/N=C/c1cccc(Oc2ccccc2)c1 20292544 DXSPLSROUBJCKA-XHLNEMQHSA-N 482.630 7.355 50 10 JKGE COc1cc(/C=C(/C#N)c2cccc(Cl)c2)ccc1OC(=O)c1ccc(Br)o1 31902383 MICPJPOKMUGUNL-DHDCSXOGSA-N 458.695 5.987 50 10 JKGE COc1ccc(Oc2ccc(/C=C(/C#N)C(=O)Nc3c(C)cc(C)cc3C)cc2[N+](=O)[O-])cc1 33415079 RVZRHVROVLBSCX-MOSHPQCFSA-N 457.486 5.867 50 10 JKGE N#C/C(=C/c1ccc(OCc2ccc(F)cc2)cc1)C(=O)Nc1ccccc1I 35375839 BIBUWQZYWGNDAI-AQTBWJFISA-N 498.295 5.555 50 10 JKGE COc1ccc(-c2nn(-c3ccccc3)cc2/C=C(/C#N)c2nc(-c3ccc(C)cc3)cs2)cc1 35516343 MUAMJPAVRMUHDN-KQWNVCNZSA-N 474.589 7.044 50 10 JKGE N#C/C(=C\c1ccc(-c2cccc(C(F)(F)F)c2)o1)C(=O)Nc1ccc(C(F)(F)F)c(Cl)c1 39884873 DWTPAAMXNUFWTH-UKTHLTGXSA-N 484.783 7.183 50 10 JKGE Cc1cc(Cl)ccc1NC(=O)c1oc2c(c1C)/C(=N/NC(=O)c1ccccc1F)CCC2 40812374 GSRDCWYUBMMGNV-TURZUDJPSA-N 453.901 5.412 50 10 JKGE CC1=NN(c2cccc3ccccc23)C(=O)/C1=C\Nc1ccc(SC#N)c(Br)c1 95471085 BYOWOEWGIABNKB-PDGQHHTCSA-N 463.360 5.894 50 10 JKGE COc1ccc(-c2nn(Cc3ccccc3)cc2/C=C(/C#N)C(=O)Nc2ccc(C)c(C)c2)cc1OC 96438733 OXBRKCOKSMBZPG-IWIPYMOSSA-N 492.579 5.778 50 10 JKGE Cc1nn(C)c(C[C@@H](CBr)Cc2ccccc2Br)c1Br 97185908 HGKVVRPGUSXNNY-NSHDSACASA-N 465.027 5.050 50 10 JKGE N#C/C(=C/c1cc(Br)cc(Br)c1O)C(=O)Nc1cccc2ccccc12 102958769 SOHLZBLPWRAMQE-ZSOIEALJSA-N 472.136 5.616 50 10 JKGE Clc1ccc(C[C@@H](Br)c2cc(Br)c(Br)s2)cc1 128190575 TVRCCTZEDACNOX-SECBINFHSA-N 459.428 6.605 50 10 JKGE Cc1cc(Br)c([C@@H](Br)CCC2CCCCC2)cc1Br 128832666 LGGRZGUWEFJAGQ-AWEZNQCLSA-N 453.056 7.317 50 10 JKGE Brc1ccccc1CO[C@H](CI)c1ccccc1Br 162557475 JXCAZWPYYMBCJI-OAHLLOKOSA-N 495.980 5.905 50 10 JKGE CCOc1cc(Cl)c([C@H](Br)c2ccc(C)cc2Br)cc1Cl 164572666 JKSWNABSIJDSOY-MRXNPFEDSA-N 453.001 6.947 50 10 JKGE CCn1c(/C(C#N)=C\c2cc(OC)c(OCc3ccccc3)c([N+](=O)[O-])c2)nc2ccccc21 169939619 GUNAPRFQMBXMBU-MOSHPQCFSA-N 454.486 5.616 50 10 JKGE COc1cc(F)c(Br)cc1[C@H](Cl)c1cc(Br)c(Br)s1 234921882 SHDSVHWZGLJPRY-NSHDSACASA-N 493.417 6.512 50 10 JKGE C[C@H]1Cc2cc([C@H](Br)c3cc(Br)sc3Br)ccc2O1 235771152 XBZILZASZTYONE-CPFSXVBKSA-N 467.020 6.081 50 10 JKGE Cc1cc(Br)c([C@H](Br)c2ccc(F)cc2I)s1 235822323 OISNOIIFVBNEMT-LLVKDONJSA-N 489.973 6.047 50 10 JKGE Fc1cc(Br)c(Cl)cc1[C@H](Br)c1ccc(Cl)cc1Br 236230991 TUVFHNIXUISYHL-CYBMUJFWSA-N 491.807 7.142 50 10 JKGE Fc1ccc([C@H](Br)c2sccc2Br)c(I)c1 236251791 STCLDUXFQZIKTR-JTQLQIEISA-N 475.946 5.739 50 10 JKGE 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@]12C 254312585 XSXHTVGXMMGURA-ZADREEQTSA-N 483.575 6.813 50 10 JKGE C=CCOc1ccc(Br)cc1C(=O)NN=Cc1ccccc1OCc1ccccc1 254593825 OVHVVKRQUIUUSA-UHFFFAOYSA-N 465.347 5.357 50 10 JKGE FC(F)(F)c1csc([C@H](Cl)c2csc(I)c2)c1Br 302626151 PDZXIAWTFUEFBK-MRVPVSSYSA-N 487.531 6.524 50 10 JKGE O=S(=O)(c1cc(Cl)cc(CCl)c1Cl)N(Cc1ccccc1)Cc1ccccc1 309570643 DVILFIZLKSLAQH-UHFFFAOYSA-N 454.806 6.123 50 10 JKGE CC(C)(C)[Si](C)(C)OCCc1ccccc1[C@H]1CCc2ccccc2N1Cc1ccccc1 616667033 CWGFIIPAWWOESW-GDLZYMKVSA-N 457.734 7.945 50 10 JKGE Cc1cc(Br)c([C@H](Br)[C@@]23CCC[C@@H]2OCC3)cc1Br 687346650 WQQRTSBQEMYAQK-SOUVJXGZSA-N 453.012 5.915 50 10 JKGE Brc1ccccc1C[C@H](Br)c1cc2c(cc1Br)OCC2 692465616 XAEORPKPLNINTJ-AWEZNQCLSA-N 460.991 5.825 50 10 JKGE BrCC(CBr)(Cc1cncc(Br)c1)C1CCCCC1 696828623 INYAETCURZVYMV-UHFFFAOYSA-N 454.044 5.743 50 10 JKGE Cc1cc(C)c([C@H](Br)c2ncsc2Br)c(C)c1Br 698647538 IPCVIVRUCZGGPZ-NSHDSACASA-N 454.025 6.078 50 10 JKGE CO[C@@](C)(COCc1ccccc1)Cn1c([C@H](C)Cl)nc2c(Br)cccc21 702783396 IKBXQYVKRAPMJX-YCRPNKLZSA-N 451.792 5.721 50 10 JKGE CC(C)(C)c1ccc([C@@H](Br)c2scc(Br)c2Br)s1 705436566 AKGICRAYGYLPGM-LLVKDONJSA-N 473.093 7.116 50 10 JKGE C[C@H](Cl)c1nc2cccc(F)c2n1CC1(N(Cc2ccccc2)Cc2ccccc2)COC1 705783873 TUPPIJYDTBPMSC-FQEVSTJZSA-N 463.984 5.947 50 10 JKGE BrCc1ccc(Br)cc1N1CC[C@@H]2[C@@H](CCCN2Cc2ccccc2)C1 715015037 NYTMLOBGEWMQPB-PZJWPPBQSA-N 478.272 5.835 50 10 JKGE Cc1ccc2nc(Sc3ccc(C=NNC(=O)c4cc5cc(Br)ccc5o4)o3)[nH]c2c1 1084052489 LNYIGQNKXXIMOJ-UHFFFAOYSA-N 495.358 5.888 50 10 JKGE N#C/C(=C/c1cc(Cl)ccc1OCc1ccccc1)C(=O)Nc1ccc(Cl)c(Cl)c1 1084615352 RUVVQOPGEJMMKN-YVLHZVERSA-N 457.744 6.771 50 10 JKGE ClCc1cc(-c2cccc(I)c2)nn1-c1ccccc1Br 1614820930 LUBZGJFHDABEFO-UHFFFAOYSA-N 473.539 5.645 50 10 JKGE Cc1cccc(C(=O)NN=C2CCCc3oc(C(=O)Nc4ccc(Cl)cc4Cl)c(C)c32)c1 1772745207 VBWSCTHMCIKHHF-UHFFFAOYSA-N 470.356 5.926 50 10 JKGE CCCc1nn(Cc2cc(C)ccc2C)c2c1[C@H](c1c(F)cccc1Cl)C(C#N)=C(N)O2 1865682428 OBQFFGXTKHKQDX-NRFANRHFSA-N 450.945 5.511 50 10 JKGE CCCCOc1ccc([C@H]2C(C#N)=C(N)Oc3c2c(CC)nn3Cc2ccccc2)cc1OCC 1865687763 ZURLRVOPLJUJDO-VWLOTQADSA-N 472.589 5.290 50 10 JKGE CCCOc1ccc([C@@H]2C(C#N)=C(N)Oc3c2c(CC)nn3-c2ccc(Cl)c(Cl)c2)cc1 1865694071 PEABVQWMBADNNJ-OAQYLSRUSA-N 469.372 5.748 50 10 JKGE Cc1nn(CC(C)C)c2c1[C@@H](c1ccc(OCc3ccc(Cl)cc3Cl)cc1)C(C#N)=C(N)O2 1865701621 ZTVDGRMDANCVMX-QHCPKHFHSA-N 483.399 5.952 50 10 JKGE CC(C)Oc1ccccc1[C@@H]1C(C#N)=C(N)Oc2c1c(-c1ccccc1)nn2Cc1ccccc1 1865705008 JZFQBPCIYYMETK-RUZDIDTESA-N 462.553 5.604 50 10 JKGE CCCc1nn(-c2ccc(Cl)c(Cl)c2)c2c1[C@@H](c1ccc(C(=O)O)cc1)C(C#N)=C(N)O2 1865709504 WPTRRCGTOJPHDQ-IBGZPJMESA-N 469.328 5.048 50 10 JKGE N#CSc1ccc(Nc2cc(N3CCc4ccc([N+](=O)[O-])cc43)nc(-c3ccc(F)cc3)n2)cc1 1868456877 VWRRIXWNRYXNHZ-UHFFFAOYSA-N 484.516 6.202 50 10 JKGE CCOC(=O)Oc1ccc(/C(O)=C(\C#N)c2nc(-c3ccc(Cl)c(Cl)c3)cs2)cc1 1872748917 SPSBFAMUYREQFW-CYVLTUHYSA-N 461.326 6.602 50 10 JKGE COc1ccc(C/C(O)=C(\C#N)c2nc(-c3cc(Cl)cc(Cl)c3OC)cs2)c(OC)c1 1872754535 XKOXGXPLZVJRSG-MNDPQUGUSA-N 477.369 6.178 50 10 JKGE CCc1ccc(-c2csc(/C(C#N)=C/c3cc(Br)c(OC(C)C)c(OC)c3)n2)cc1 1872781969 ZWCVKZYYBYCAHB-VXLYETTFSA-N 483.431 6.995 50 10 JKGE Cc1ccc(C)c(-c2csc(/C(C#N)=C/c3ccc(OCc4ccc(Cl)cc4Cl)cc3)n2)c1 1872790985 PCJNFIXQHUAVLQ-CIAFOILYSA-N 491.443 8.377 50 10 JKGE CCCCCCCOc1ccc(-c2csc(/C(C#N)=C/c3cccc4ccccc34)n2)cc1 1872791376 GKGPQHIHNIQICE-NCELDCMTSA-N 452.623 8.377 50 10 JKGE CCCCCOc1ccc(/C=C(\C#N)c2nc(-c3cc(C)c(Cl)cc3OC)cs2)cc1OCC 1872794382 YIXDOOUVNNQWJS-DEDYPNTBSA-N 497.060 7.812 50 10 JKGE CCOc1cc(/C=C(\C#N)c2nc(-c3cc(C)c(OC)cc3C)cs2)cc(Br)c1O 1872794731 SOHXASTVMMOFSB-LZYBPNLTSA-N 485.403 6.367 50 10 JKGE CCCOc1ccc(-c2csc(/C(C#N)=C(\O)COc3ccc(Cl)c(C)c3)n2)cc1OCCC 1872817879 BFPYKAVZSWXWKG-ATJXCDBQSA-N 499.032 7.221 50 10 JKGE COc1ccc(Cl)cc1N1C[C@@H](/C(O)=C(\C#N)c2nc(-c3cccc([N+](=O)[O-])c3)cs2)CC1=O 1873941140 YDUUBSLILLTKQQ-AEWZPABSSA-N 496.932 5.226 50 10 JKGE CCc1nn(C)c([C@H](Cl)c2cc(Br)ccc2Br)c1Br 1877184500 SVXMVOVCJBRKSQ-GFCCVEGCSA-N 471.418 5.598 50 10 JKGE CCCC1CCC([C@H](Cl)c2c(Br)sc(Br)c2Br)CC1 1878039056 KVQUDTQDTPYUIQ-KWPJZBAWSA-N 493.530 7.922 50 10 JKGE COC1(C(F)(F)[C@H](Br)c2cc(Br)ccc2Br)CCC1 1912505002 AFAGPFQHHHHZBX-LLVKDONJSA-N 462.954 5.852 50 10 JKGE C[C@@H](CBr)N(Cc1ccccc1)C(=O)c1ccc(Br)c(C(F)(F)F)c1 1914230138 VDCYMGHVNHLUDV-LBPRGKRZSA-N 479.134 5.894 50 10 JKGE O=C(c1cc(Br)sc1Br)N(Cc1ccccc1)C1(CCl)CCC1 1915750300 UHMOULVMLSAJJM-UHFFFAOYSA-N 477.649 6.077 50 10 JKGE Brc1sc(Br)c([C@H](Br)CC2CC2)c1Br 1924576773 SBMZQDRTAQLFPY-RXMQYKEDSA-N 467.846 6.272 50 10 JKGE Cc1cc(F)cc([C@H](Cl)c2c(Br)sc(Br)c2Br)c1 1924585713 PBUSAOTYACRIOC-JTQLQIEISA-N 477.418 6.811 50 10 JKGE Fc1cc([C@H](Br)c2c(Cl)sc(Br)c2Cl)ccc1Br 1925584656 KDIZJSVMRXMCNV-QMMMGPOBSA-N 497.836 7.203 50 10 JKGE O=C(CCCCBr)Nc1ccc(Cl)c(I)c1Cl 1945187798 DTEAFCLEPHZNRB-UHFFFAOYSA-N 450.929 5.102 50 10 JKGE Cc1cc(Br)sc1[C@@H](Br)c1cc(Cl)ccc1Br 1950207863 LJNCDNCJZMRBNN-NSHDSACASA-N 459.428 6.719 50 10 JKGE Cl[C@@H](c1cc(Br)cs1)c1cc(Br)c(Br)s1 1961676999 HEPZKEMROMSZTN-QMMMGPOBSA-N 451.430 6.425 50 10 JKGE Fc1cc(Cl)c(Br)cc1[C@H](Cl)c1ccccc1I 2036570262 ASSPIBSSLQIHRZ-CYBMUJFWSA-N 459.911 6.174 50 10 JKGE COC1CC2(C1)CC([C@H](Br)c1cc(Br)c(Br)s1)C2 2038903561 MUXHUGCTDJRMSD-HRQJNHKQSA-N 459.041 5.914 50 10 JKGE Cc1ccnc(C(C)C)c1-n1nc(CBr)c(I)c1C(F)(F)F 2078933936 BBVXBUXMCCLJSI-UHFFFAOYSA-N 488.089 5.217 50 10 JKGE Fc1cc(Br)c([C@H](Br)c2sccc2Br)c(F)c1Cl 2081842665 DLFKUSOTHGMCCQ-QMMMGPOBSA-N 481.381 6.689 50 10 JKGE Cc1ccc([C@@H](Br)c2ccc(Br)cc2Br)cc1Cl 2083336838 FBJKUDJIEUITGH-CQSZACIVSA-N 453.399 6.658 50 10 JKGE Cc1ccc(C[C@H](Br)c2ccc(Br)cc2I)cc1 2086144811 FFDPZUJQIXBSML-AWEZNQCLSA-N 479.981 6.041 50 10 JKGE C[C@@]1(CC(CBr)(CBr)c2ccc(Br)cc2)CCCO1 2096625498 SOHSVLNOKNNOPZ-AWEZNQCLSA-N 455.028 5.436 50 10 JKGE CN(C(=O)c1cc(Br)c(Br)s1)[C@@H](CCBr)C(F)(F)F 2122002080 RCYQOUOBSYEIQS-ZETCQYMHSA-N 487.961 5.061 50 10 JKGE Cc1c(CBr)cc(Cl)cc1S(=O)(=O)N(Cc1ccccc1)[C@H](C)C1CC1 2123269057 PGKICWWOKPSJPW-OAHLLOKOSA-N 456.833 5.533 50 10 JKGE Cl[C@H](c1c(Br)sc(Br)c1Br)[C@H]1C[C@H]1C1CCOCC1 2135276192 HEDPMKYLXUVIQZ-LAEOZQHASA-N 493.486 6.378 50 10 JKGE Cc1c(Br)ccc([C@H](Br)C23CC(C)(C2)O[C@H]3C)c1Br 2138874367 VNVBAMQIDJZRET-RCADUFJZSA-N 453.012 5.914 50 10 JKGE Clc1cc(CC[C@@H](Br)CN2CCCCC2)ccc1I 2142938490 ZDBHOYKKMNSVOR-CYBMUJFWSA-N 456.593 5.127 50 10 JKGE ClCc1nc2cc(Br)c(Cl)cc2n1-c1ccc(I)cc1 2159868684 QTIRHJWIQPWXRS-UHFFFAOYSA-N 481.946 5.785 50 10 JKGE CC(C)(C)OC(=O)N1CCC([S@@](C)(=O)=NCCCCCCCCCBr)CC1 2163064788 VWYPCGBVJNOAMH-HHHXNRCGSA-N 467.514 5.609 50 10 JKGE CCOc1ccc([C@@H](Br)c2nn(C)c(Br)c2C)cc1Br 2168214668 BQEJYEZMDCCEGG-GFCCVEGCSA-N 466.999 5.137 50 10 JKGE Cc1cc(Br)c(CBr)c(N(C)Cc2ccc(Br)cc2)c1 2173445852 XEVDETYOQGYZDS-UHFFFAOYSA-N 462.023 6.051 50 10 JKGE Cc1oc(C)c(S(=O)(=O)N(Cc2ccccc2)[C@H](C)c2cccs2)c1CBr 2179791494 RSPQBDIJCKABAQ-CQSZACIVSA-N 468.438 5.805 50 10 JKGE Cc1c(Br)sc([C@H](Cl)[C@@]23CCC[C@@H]2CS(=O)(=O)C3)c1Br 2201879443 NMVIOBSJQMJJPV-YDEJPDAXSA-N 462.656 5.076 50 10 JKGE CCn1cc([C@@H](Br)c2cc(Br)c(OC)cc2Cl)nc1Br 2202356436 LNGBTSFVHBLFEZ-LBPRGKRZSA-N 487.417 5.574 50 10 JKGE CCCCCCCCC[C@@H](Br)c1ccc(Br)c(C)c1Br 2203688786 VTRAIAQFOMCJOQ-MRXNPFEDSA-N 469.099 8.097 50 10 JKGE Cc1ccc([C@@H](Br)c2cc(Br)sc2C)cc1I 2212991804 CRAWSPGTOMGHTH-CYBMUJFWSA-N 486.010 6.216 50 10 JKGE Cc1c(Br)csc1[C@@H](Br)c1sc(Br)c(C)c1C 2213771200 OZYHZVWUPWRZHW-SECBINFHSA-N 459.066 6.744 50 10 JKGE Cc1ccc([C@@H](Br)Cc2c(F)cccc2Cl)cc1I 2224631681 UDUWQSBGKWXAEL-LBPRGKRZSA-N 453.520 6.071 50 10 JKGE Cc1cccc([C@H](Br)c2cc(Br)c(Br)cc2F)c1Cl 2225617534 PGZVLEGYSSZNJX-ZDUSSCGKSA-N 471.389 6.797 50 10 JKGE Fc1cc(Br)c(Br)cc1[C@@H](Br)CC1CC(C(F)F)C1 2225620036 QABLPOIRDFILHI-IEIXJENWSA-N 464.945 6.468 50 10 JKGE Cc1cc(Br)c([C@@H](Br)C2(C(F)(F)F)CC2)c(C)c1Br 2227361514 DKLYHCXSLLIGAS-LLVKDONJSA-N 464.945 6.607 50 10 JKGE COc1cc([C@H](Br)c2csc(I)c2)c(OC)cc1C 2228537950 HJEGBWYJMIYBCB-CQSZACIVSA-N 453.139 5.163 50 10 JKGE COc1c(Br)cc(C)cc1[C@@H](Br)c1sc(C)cc1Br 2229318096 PXYGFYBOFLOWRT-GFCCVEGCSA-N 469.036 6.383 50 10 JKGE Brc1c([C@@H](Br)c2cccc(I)c2)ccc2c1CCO2 2229741935 NXCZSTKVVJABSC-AWEZNQCLSA-N 493.964 5.473 50 10 JKGE Cc1ccc(I)c([C@@H](Cl)Cc2ccc(Br)cc2Cl)c1 2232182997 HKBKPSMGZZODNV-AWEZNQCLSA-N 469.975 6.538 50 10 JKGE C[C@H](Cl)c1nc2c(F)cc(Br)cc2n1[C@@H]1CN(Cc2ccccc2)C[C@H]1C 2232915835 ISUYLDRNZSOEMM-BIENJYKASA-N 450.783 5.931 50 10 JKGE Clc1c(Br)sc(Br)c1[C@H](Cl)c1cocc1Br 2244207164 DARYFZZLMMHLMK-ZCFIWIBFSA-N 469.807 6.610 50 10 JKGE Clc1c(Br)csc1[C@@H](Cl)c1ccc(Br)cc1Br 2246464941 IFJWTYJTGFYYFF-VIFPVBQESA-N 479.846 7.017 50 10 JKGE CC(C)c1cc(Br)cc(C(=O)N(Cc2ccccc2)[C@H](C)CBr)c1 2247264651 MQNDJQWKLQWJHJ-OAHLLOKOSA-N 453.218 5.998 50 10 JKGE BrC[C@@H](OC1CCN(Cc2ccccc2)CC1)c1ccccc1Br 2250367299 OKXXCJVBMZTLRE-HXUWFJFHSA-N 453.218 5.566 50 10 JKGE CN(CCN(Cc1ccccc1)Cc1ccsc1-c1nc(CCl)cs1)Cc1ccccc1 2263157440 YSHIRXJHELLFJM-UHFFFAOYSA-N 482.118 6.745 50 10 JKGE Cc1c(Br)ccc([C@@H](Cl)c2cccc(Cl)c2Br)c1Br 2267974434 BTSIVUZLDGFJAT-AWEZNQCLSA-N 487.844 7.264 50 10 JKGE COc1cc(C)c([C@@H](Br)c2csc(I)c2)c(OC)c1 2271499307 BZUGDLGZUPWYLX-AWEZNQCLSA-N 453.139 5.163 50 10 JKGE FC(F)(F)C1([C@@H](Br)Cc2cc(Br)cc(Br)c2)CCC1 2277963763 YARKXRPGEMTYMO-NSHDSACASA-N 464.945 6.250 50 10 JKGE Cc1sc([C@@H](Br)c2cc(Br)cc(C(C)C)c2)c(C)c1Br 2280678054 ZIKIFVXZAURQKH-HNNXBMFYSA-N 481.091 7.498 50 10 JKGE COc1ccc([C@H](Br)c2c(F)ccc(F)c2F)cc1I 2285001203 WUFDCBUBMBJVJJ-ZDUSSCGKSA-N 457.027 5.201 50 10 JKGE Cc1cc(Cl)ccc1[C@@H](Br)c1c(F)cc(Br)c(F)c1Br 2288376840 QJWCFTVYYZNLDW-GFCCVEGCSA-N 489.379 6.936 50 10 JKGE CC(C)CC1([C@H](Br)Cc2cc(Br)cc(Br)c2)CCCC1 2295337687 NFWMRTUHNKUMGT-MRXNPFEDSA-N 467.083 7.124 50 10 JKGE COc1cc(C)c(Cl)cc1[C@@H](Br)c1cccc(Br)c1Br 2295357229 KAVPOFJXQSKXEE-AWEZNQCLSA-N 483.425 6.666 50 10 JKGE N#CC(=Cc1cn(Cc2c(F)cccc2Cl)nc1-c1ccccc1)C(=O)Nc1sccc1C#N 2295669903 IQXCGDCXEQHKPE-UHFFFAOYSA-N 487.947 5.870 50 10 JKGE CCOC(=O)C(C#N)=Cc1cc(Br)c(OCc2ccc(Cl)cc2Cl)c(OCC)c1 2313521329 GVYZMHQOMGILIQ-UHFFFAOYSA-N 499.188 6.204 50 10 JKGE C[C@H](NC(=O)C(C#N)=Cc1ccc(OCc2ccc(Cl)cc2Cl)cc1)c1ccccc1 2313671169 MYVYWVXJXYVNJY-KRWDZBQOSA-N 451.353 6.357 50 10 JKGE N#CC(=Cc1ccc(-c2cc(Cl)ccc2Cl)o1)C(=O)Nc1ccc(Cl)c(C(F)(F)F)c1 2314489601 SDOZPMXQEIKZMI-UHFFFAOYSA-N 485.676 7.471 50 10 JKGE Cc1cccc(Oc2nc3c(C)cccn3c(=O)c2C=C(C#N)C(=O)Nc2cc(C)ccc2C)c1 2314533268 PWYPQGCWHMKHFR-UHFFFAOYSA-N 464.525 5.266 50 10 JKGE Cc1cccc(C[C@@H]2SC(=C(C#N)C(=O)Nc3ccccc3)N(c3ccc(C(C)C)cc3)C2=O)c1 2314593589 PQJWOIUZWZEYGV-SANMLTNESA-N 481.621 6.183 50 10 JKGE CC(C)c1ccc(N2C(=O)[C@H](Cc3ccccc3)SC2=C(C#N)C(=O)N[C@@H](C)c2ccccc2)cc1 2314593659 QPFGDLISSQBZKP-IDISGSTGSA-N 495.648 6.114 50 10 JKGE CC1=C(C#N)C(=O)N(CC(C)C)C(=O)C1=Cc1cn(-c2ccccc2)nc1-c1ccc(OC(C)C)cc1 2314610969 OSSDPTMMRZPZNM-UHFFFAOYSA-N 494.595 5.575 50 10 JKGE COc1cc(C=C(C#N)c2ccc(Cl)cc2)ccc1OC(=O)COc1cc(C)ccc1C(C)C 2314720094 DSXMBKNFJCYAEU-UHFFFAOYSA-N 475.972 6.829 50 10 JKGE C[C@H]([C@@H](Br)c1c(Cl)cc(Br)c(F)c1Br)C(C)(C)C 2315451118 LIPARSVZZUZZSH-LHLIQPBNSA-N 465.426 7.122 50 10 JKGE COc1ccc(CCN(Cc2ccccc2)[C@H](CBr)C2CC2)c(Br)c1 2317227682 XQYRTLREUXITNZ-OAQYLSRUSA-N 467.245 5.676 50 10 JKGE O=C(NN=Cc1ccc(OCc2ccc(Cl)cc2Cl)cc1)c1ccc2[nH]c3c(c2c1)CCCC3 2321672343 STNPXPCMYOEKAB-UHFFFAOYSA-N 492.406 6.696 50 10 JKGE CCOC(=O)c1c(NC(=O)C(C#N)=Cc2ccc(Br)cc2)sc2c1CC[C@@H](C)C2 2329663769 MZPSCMVCKKFNFV-CYBMUJFWSA-N 473.392 5.358 50 10 JKGE N#CC(=C(O)Cc1cccc2ccccc12)c1nc(-c2ccc(Oc3ccccc3)cc2)cs1 2331358582 OKPDDAOXBYKRSM-UHFFFAOYSA-N 460.558 7.791 50 10 JKGE N#CC(=C(O)CN1C(=O)c2ccccc2C1=O)c1nc(-c2ccc(Oc3ccccc3)cc2)cs1 2331358848 UYXHFHMGSCXFCR-UHFFFAOYSA-N 479.517 5.691 50 10 JKGE COc1ccc(Cl)cc1-c1csc(C(C#N)=C(O)COc2cc(C)c(Cl)c(C)c2)n1 2331410927 SCEXDCANONKDLN-UHFFFAOYSA-N 461.370 6.614 50 10 JKGE CCCCCCOc1ccc(C=C(C#N)c2nc(-c3ccc(F)c(C)c3)cs2)cc1OC 2331449123 OHZFERCTZXSXJQ-UHFFFAOYSA-N 450.579 7.290 50 10 JKGE COc1cc(C=C(C#N)c2nc(-c3cccc4ccccc34)cs2)ccc1OC(=O)c1ccccc1 2331456866 OWQGQMXGFQQNMF-UHFFFAOYSA-N 488.568 7.255 50 10 JKGE CCOc1cc(C=C(C#N)c2nc(-c3ccc(F)cc3)cs2)ccc1OCc1ccccc1C 2331459064 IAUYZXOWLNHSQD-UHFFFAOYSA-N 470.569 7.300 50 10 JKGE CCCCCOc1ccc(C=C(C#N)c2nc(-c3cc(OC)c(Cl)cc3OC)cs2)cc1 2331471019 FZYKPOQDDUEMMS-UHFFFAOYSA-N 469.006 7.114 50 10 JKGE CO[C@@H]1CC([C@H](Br)c2ccc(OCc3ccccc3)cc2Br)C[C@H]1OC 2336041485 ONNQTCNGCSFVGS-NJYVYQBISA-N 484.228 5.904 50 10 JKGE Clc1cc(Cl)cc(C[C@@H](Cl)c2cc(Br)ccc2OCc2ccccc2)c1 2336045353 VYCBBEFGLGZNLM-HXUWFJFHSA-N 470.621 7.858 50 10 JKGE Brc1cc(OCc2ccccc2)ccc1[C@H](Br)[C@@H]1CCn2ncnc2C1 2336048000 QHUNFEYPJYIDSP-FOIQADDNSA-N 477.200 5.318 50 10 JKGE COc1cc([C@H](Br)c2cc(Br)ccc2OCc2ccccc2)ccc1F 2336074079 BSWRPUCPQZSBIF-NRFANRHFSA-N 480.171 6.660 50 10 JKGE CCCc1sc(Br)cc1[C@H](Br)c1c(Br)c(C)nn1C 2338029026 DCWFEPGUKKXLSZ-LBPRGKRZSA-N 471.056 5.752 50 10 JKGE CCOc1cccc(CBr)c1OCc1sccc1I 2338756105 WNHHNTKIUDSWOS-UHFFFAOYSA-N 453.139 5.225 50 10 JKGE Clc1ccc(CN2CC[C@@H]3C[C@H](Br)CC[C@H]32)c(I)c1 2341049495 LNNHAVWIAPUKJK-IXPVHAAZSA-N 454.577 5.083 50 10 JKGE Fc1cc(Br)c(F)c(Br)c1[C@H](Br)C[C@H]1CCC[C@@H]2C[C@@H]21 2359750217 YTPLQZUJEATPOX-DOLQZWNJSA-N 472.993 6.752 50 10 JKGE Cc1sc([C@H](Cl)c2c(F)cc(Cl)c(Br)c2Cl)c(C)c1Br 2360489994 UDFFDRCWKRPOHU-GFCCVEGCSA-N 481.439 7.664 50 10 JKGE C[C@@H]1C[C@@H]2C[C@@H]2C[C@H]1[C@@H](Br)c1c(Cl)cc(Br)c(F)c1Br 2362248413 REPBHGSPNLWORV-PCQLPTCXSA-N 489.448 7.122 50 10 JKGE CC(C)(C)[C@@H]1CC[C@H](Br)[C@@H](Cc2ccc(Cl)c(I)c2)C1 2362435236 CZUZOYUBKMGLOE-MJBXVCDLSA-N 469.632 6.713 50 10 JKGE CC1(C)CCC[C@]12[C@@H](Br)C[C@H]2Oc1cc(Br)cc(Br)c1 2364222827 MQSLCWVNYKILKN-SQWLQELKSA-N 467.039 6.323 50 10 JKGE CC(C)(C)OC(=O)NC[C@](C)(CI)OC[C@@H](c1ccccc1)C1CCCC1 2368371874 NQSXFEXSZLUBHV-UGKGYDQZSA-N 487.422 5.695 50 10 JKGE COC(C)(C)C1(CO[C@@H](CI)c2ccccc2Br)CC1 2369743423 PTVMUAASUMQDSG-AWEZNQCLSA-N 453.158 5.147 50 10 JKGE CC(C)CNC(=O)c1cc(NC(=O)[C@H](C)Cl)ccc1N1CCC(Cc2ccccc2)CC1 746339 ORTCAQHCBMSTHT-IBGZPJMESA-N 456.030 5.097 50 10 JKGE CC[C@H](Oc1ccccc1[C@H](C)CC)C(=O)NNC(=O)c1ccc(NC(=O)c2cccc(C)c2)cc1 10683294 VQWLBEOLTCAQQD-NLFFAJNJSA-N 487.600 5.379 50 10 JKGE CCCOc1ccc(C(=O)NNC(=O)c2ccc(NC(=O)c3ccc(C(C)(C)C)cc3)cc2)cc1 14031036 OLRIZOTWCIJEPR-UHFFFAOYSA-N 473.573 5.100 50 10 JKGE N#CC(=C/c1ccc(-c2ccc(F)cc2)o1)/C(O)=N/c1ncc(Cc2cccc3ccccc23)s1 33285771 UEUGDFXTPYACRT-STZFKDTASA-N 479.536 7.481 50 10 JKGE CCCCCCOc1ccc(-c2nn(-c3ccccc3)cc2/C=C(/C#N)C(=O)NCCCOC)cc1 33396609 ZOBWEIFOECONPB-GFMRDNFCSA-N 486.616 5.558 50 10 JKGE Cc1cccn2c(=O)c(/C=C(\C#N)c3nc4ccccc4s3)c(Oc3ccccc3F)nc12 33584183 LBNADSFOQUDCSG-DTQAZKPQSA-N 454.486 5.608 50 10 JKGE Cc1cc(/C=C(/C#N)C(=O)Nc2ccccc2Br)c(C)n1-c1cccc(Cl)c1 33752548 ZSWYEHGABDNTFA-BOPFTXTBSA-N 454.755 6.056 50 10 JKGE CC(C)N1CC2=C(OC(N)=C(C#N)[C@H]2c2cccc(Cl)c2)/C(=C\c2cccc(Cl)c2)C1 33926990 XMKIULFQILPFQK-ZQGIQODUSA-N 452.385 5.863 50 10 JKGE C/C(=N/NC(=O)COc1ccc(Br)cc1Cl)c1ccc(-c2ccccc2)cc1 35277019 AOMKRCWABLTZLF-MYYYXRDXSA-N 457.755 5.689 50 10 JKGE C[C@@H](Oc1ccccc1F)C(=O)Oc1ccc2c(c1)OC(N)=C(C#N)[C@@H]2c1ccc(C(C)(C)C)cc1 38649797 WRQVRGLAPOFLMP-WGDIFIGCSA-N 486.543 5.714 50 10 JKGE N#CC1=C(N)Oc2cc(OC(=O)c3ccccc3Cl)ccc2[C@@H]1c1cccc(Oc2ccccc2)c1 38660774 IODOCLDQYPZENP-MHZLTWQESA-N 494.934 6.570 50 10 JKGE CSc1ccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4ccccc4Br)ccc32)cc1 38682101 MSSGNEVOQMZFLE-JOCHJYFZSA-N 493.382 5.608 50 10 JKGE CCOc1c(/C=N/NC(=O)CSc2nc(-c3ccc(Cl)cc3)cs2)cccc1OC 40924852 KMAJFUFRFCKJEM-FOKLQQMPSA-N 461.996 5.113 50 10 JKGE CCOc1ccc([C@@H](O)CCC(=O)N/N=C\c2ccc(-c3cc(Cl)ccc3Cl)o2)cc1 58893128 VWRXYZOYAJNTMF-IDEIYSCTSA-N 461.345 5.616 50 10 JKGE C[C@@H]([C]1[CH][CH][CH][C]1P(c1ccccc1)c1ccccc1)N(C)P(c1ccccc1)c1ccccc1 103707473 DGQLHSBBGJGDKT-SANMLTNESA-N 490.547 6.220 50 10 JKGE O=c1[nH]c2cc(Br)c([C@@H](Br)c3cc(Br)ccc3Cl)cc2[nH]1 109884130 XNNJNFYCSCHARV-CYBMUJFWSA-N 495.396 5.519 50 10 JKGE Br[C@@H]1CC[C@@H](c2ccccc2)C[C@H]1Cc1ccc(I)cc1 115904857 DAAXAJYIQUGFHF-ZHALLVOQSA-N 455.177 6.181 50 10 JKGE Fc1ccc(Br)c(CC(CBr)(CBr)c2ccccc2Cl)c1 118877926 KPLSPMONLZNDPZ-UHFFFAOYSA-N 499.443 6.512 50 10 JKGE CCOc1ccc([C@@H](Br)c2cc(C)c(Br)s2)c(Br)c1 126698673 HDPBWHSSNBXZIJ-CYBMUJFWSA-N 469.036 6.465 50 10 JKGE COc1cc(/C=N/NC(=O)Nc2ccccc2)ccc1OCc1ccc(Br)cc1 169885040 GSQMYWHFGRKMNX-ZVHZXABRSA-N 454.324 5.192 50 10 JKGE CCOc1cc(/C=C(/C#N)C(=O)NCc2ccco2)ccc1OC(=O)COc1ccccc1C(C)C 206738012 QVHQUQPWMBOYML-STZFKDTASA-N 488.540 5.009 50 10 JKGE CCOc1ccc([C@@H](Cl)c2csc(I)c2)cc1Br 228989670 AVUQDVCNTMDMOL-CYBMUJFWSA-N 457.558 5.842 50 10 JKGE COc1ccc([C@@H](Br)c2cc(Br)ccc2I)cc1F 234971985 PWIQXGBHKPGFTD-CQSZACIVSA-N 499.943 5.686 50 10 JKGE O=[N+]([O-])c1ccccc1C[C@@H](Cl)c1cc(I)ccc1Br 236031387 GRSVKPCEWGIZGO-CYBMUJFWSA-N 466.500 5.485 50 10 JKGE Fc1c(Br)cccc1[C@@H](Br)c1cc(Br)cc2c1OCC2 236125601 JILOMCIWPKANSK-CYBMUJFWSA-N 464.954 5.770 50 10 JKGE Cc1ccccc1N[C@@H](C)C(=O)NN=Cc1ccccc1OCc1ccc(Br)cc1 250983769 JNAHFEHTWZHYDY-SFHVURJKSA-N 466.379 5.287 50 10 JKGE COc1ccc(C=NNC(=O)c2ccc(F)cc2)cc1CSc1nc2ccccc2s1 252640012 YPLFPYCWLWZXPU-UHFFFAOYSA-N 451.548 5.500 50 10 JKGE CCCCCCCCCCOc1ccc(C(=O)NN=Cc2ccc(Br)cc2)cc1 254352091 RLNBLERBCHUQKP-UHFFFAOYSA-N 459.428 6.733 50 10 JKGE CCCOc1ccc(C=NNC(=O)COc2c(Cl)c(Cl)c(Cl)c(Cl)c2Cl)cc1 256017801 LLLKGOUWEZSFON-UHFFFAOYSA-N 484.594 6.272 50 10 JKGE C[C@@H](Cl)c1nc2cc(I)c(F)cc2n1CCOCc1ccccc1 389946488 OFRQLEBGCUBFPK-GFCCVEGCSA-N 458.702 5.297 50 10 JKGE CN(C[C@H]1CCN(Cc2ccccc2)C1)c1cccc(Br)c1CBr 394697326 GFMOLIDPUYSCEA-QGZVFWFLSA-N 452.234 5.302 50 10 JKGE COc1c(C)cc(Br)c(C)c1[C@H](Br)c1cc(Br)oc1C 396600399 PLWPIGGPKSGBLK-CQSZACIVSA-N 466.995 6.223 50 10 JKGE Fc1cc(Br)c([C@@H](Cl)c2cc(Br)cc(Br)c2)c(F)c1F 398456149 JDDPLDPBLDRULK-NSHDSACASA-N 493.342 6.720 50 10 JKGE CC(C)(C)OC(=O)NCCN1CCCC[C@H](c2ccc(CO[Si](C)(C)C(C)(C)C)cc2)C1 616627490 IBDAUTUGVZUBIW-QHCPKHFHSA-N 462.751 6.303 50 10 JKGE BrCc1ccc(N2C[C@@H]3CC[C@H](C2)N3Cc2ccccc2)cc1Br 687237198 TVZZOKINXWULEQ-KDURUIRLSA-N 450.218 5.197 50 10 JKGE CN(C(=O)c1cc(Br)ccc1Br)[C@H](CBr)C(C)(C)C 689260590 NKVRRIOMCFNSSH-GFCCVEGCSA-N 456.016 5.093 50 10 JKGE CC1(C)CC[C@@H](CBr)N(Cc2cc(Cl)ccc2I)C1 701615843 JHCJVKSQZQLELT-ZDUSSCGKSA-N 456.593 5.330 50 10 JKGE Cc1cc([C@H](Cl)c2scc(Br)c2Br)sc1Br 705408056 FNYTXLNTNJZKCT-QMMMGPOBSA-N 465.457 6.734 50 10 JKGE Fc1ccc([C@@H](Br)c2cccc(F)c2I)cc1Br 721677805 HYFYGDVKGSCZMX-GFCCVEGCSA-N 487.907 5.816 50 10 JKGE CCCCCOc1ccc([C@H]2CN(C(=O)OCc3ccccc3)C[C@@H]2CBr)cc1 725425930 OJPIOASASPHKPR-JTHBVZDNSA-N 460.412 6.003 50 10 JKGE O=C(Cc1ccc(Cl)cc1)NN=Cc1ccccc1OCc1ccc(Br)cc1 725437201 PADARPXHZRMQPW-UHFFFAOYSA-N 457.755 5.374 50 10 JKGE CCCCOc1ccc([C@H]2C(C#N)=C(N)Oc3c2c(C)nn3Cc2ccccc2)cc1OCC 1865686935 FOQROETUZYUGKT-VWLOTQADSA-N 458.562 5.036 50 10 JKGE CCCCOc1ccc([C@@H]2C(C#N)=C(N)Oc3c2c(-c2ccccc2)nn3Cc2ccccc2F)cc1 1865690434 RAOLHQVAXJROHD-AREMUKBSSA-N 494.570 6.135 50 10 JKGE CCOc1ccc([C@@H]2C(C#N)=C(N)Oc3c2c(-c2ccc(OC)cc2)nn3-c2ccc(Cl)cc2)cc1 1865694685 ZEOWCPHXZADNIK-XMMPIXPASA-N 498.970 5.818 50 10 JKGE COc1ccc(-c2nn(Cc3ccc(C)cc3)c3c2[C@@H](c2ccccc2[N+](=O)[O-])C(C#N)=C(N)O3)cc1 1865710246 RYPWNDVYQFKLQZ-DEOSSOPVSA-N 493.523 5.042 50 10 JKGE Cc1nn(Cc2ccc(F)cc2)c2c1[C@@H](c1cccc(OCc3ccccc3)c1)C(C#N)=C(N)O2 1865712135 QBSGSJYLBWFHJJ-SANMLTNESA-N 466.516 5.176 50 10 JKGE CC[C@](C)(NC(=O)c1cc(C2CC2)n2nc(C(C)(C)C)cc2n1)C(=O)Nc1ccc(SC#N)cc1 1867189263 LMXXYALRXWCBEM-SANMLTNESA-N 490.633 5.015 50 10 JKGE CC(C)(C)CN1CCN(c2cc(Nc3ccc(SC#N)cc3)nc(-c3ccccc3Cl)n2)CC1 1868415585 ZNIZDNFOZTWNJH-UHFFFAOYSA-N 493.080 6.282 50 10 JKGE N#C/C(=C\c1c(O)ccc2cc(Br)ccc12)c1cc2c(cc1[N+](=O)[O-])OCCO2 1872728533 HQIAJSXZJDFRNY-MDWZMJQESA-N 453.248 5.051 50 10 JKGE N#C/C(=C(/O)CCN1C(=O)c2ccccc2C1=O)c1nc(-c2ccc(Cl)cc2Cl)cs1 1872744743 GPLNBBXQDAYDLE-MNDPQUGUSA-N 470.337 5.596 50 10 JKGE CC(C)(C)c1csc(/C(C#N)=C(\O)c2ccc3c(c2)C(=O)N(c2ccccc2Cl)C3=O)n1 1872747683 PKJVNLQSIWAUAP-SILNSSARSA-N 463.946 5.844 50 10 JKGE COc1cc(/C=C/C(O)=C(\C#N)c2nc(-c3ccc(F)c(C)c3)cs2)ccc1OC(C)=O 1872749678 CCHJMCJSKUAQMM-GOIJFPJBSA-N 450.491 5.698 50 10 JKGE Cc1ccc(N2C(=O)c3ccc(/C(O)=C(\C#N)c4nc(-c5cccs5)cs4)cc3C2=O)c(C)c1 1872750361 HGZUCAGJMKQSGZ-NMWGTECJSA-N 483.574 6.239 50 10 JKGE CC(C)c1ccc(-c2csc(/C(C#N)=C(\O)c3ccc4c(c3)C(=O)N(Cc3ccco3)C4=O)n2)cc1 1872752167 PUTMSQNZPVTLFA-BZZOAKBMSA-N 495.560 6.273 50 10 JKGE CCOC(=O)Oc1ccc(/C(O)=C(\C#N)c2nc(-c3ccc(OCC)cc3OCC)cs2)cc1 1872755156 ATWSSNYTDDENFC-ATJXCDBQSA-N 480.542 6.093 50 10 JKGE COc1cc(OC)c(-c2csc(/C(C#N)=C(\O)CCCOc3ccc(C)cc3)n2)cc1Cl 1872756471 LJXFPKKMPLMBEK-UZYVYHOESA-N 470.978 6.441 50 10 JKGE Cc1ccc(-c2csc(/C(C#N)=C(\O)[C@@H](C(C)C)N3C(=O)c4ccccc4C3=O)n2)cc1C 1872756719 XCEYNVDHFYLERT-LAGVDGIJSA-N 457.555 5.540 50 10 JKGE CCCCOc1ccc(/C=C(\C#N)c2nc(-c3cc(C)c(Cl)cc3OC)cs2)cc1OCC 1872794186 NVGNMCNUDQKACF-XDHOZWIPSA-N 483.033 7.422 50 10 JKGE CC(C)CN1C(=O)c2ccc(/C(O)=C(\C#N)c3nc(-c4cccc(Cl)c4)cs3)cc2C1=O 1872818133 OAUTULKXYVDNSW-VZCXRCSSSA-N 463.946 5.665 50 10 JKGE N#C/C(=C(/O)c1c(Cl)ccc(Cl)c1Cl)c1nc(-c2ccc(-c3ccccc3)cc2)cs1 1873940929 NWMQEXPCQUUFNK-QJOMJCCJSA-N 483.807 8.387 50 10 JKGE C[C@@H](Oc1ccc(Cl)cc1)/C(O)=C(\C#N)c1nc(-c2ccc(-c3ccccc3)cc2)cs1 1873941149 YLOMJNWESYWHNK-NPPSCJOGSA-N 458.970 7.391 50 10 JKGE CC(C)(C)OC(=O)N[C@@H](CBr)Cc1cc(Br)cc(Br)c1 1882088360 QRGNYGDJFZRIOE-GFCCVEGCSA-N 472.015 5.042 50 10 JKGE Cl[C@H](c1c(Br)sc(Br)c1Br)[C@@H]1C[C@H]1C1CCC1 1910541201 FPHPPFGFPWWQLU-PJKMHFRUSA-N 463.460 6.752 50 10 JKGE CCc1nn(CC)c(CN(Cc2ccccc2)[C@H](CBr)C2CC2)c1Br 1915142728 GNBQJAQQWLJQBA-GOSISDBHSA-N 469.265 5.404 50 10 JKGE O=C(c1cc(Br)cc(Br)c1)N(Cc1ccccc1)[C@@H](CCl)C1CC1 1915159603 QHDXKLZYIPIPKN-SFHVURJKSA-N 471.620 5.871 50 10 JKGE CS(=O)(=O)c1sccc1[C@H](Cl)c1sc(Br)cc1Br 1922895051 QTJHGZARFHNYJZ-QMMMGPOBSA-N 450.626 5.066 50 10 JKGE Cc1c(Br)sc([C@@H](Br)c2cc3cscc3s2)c1Br 1922907485 UVXAJYTWHSEPKP-JTQLQIEISA-N 487.101 7.342 50 10 JKGE Cl[C@@H](c1c(Br)sc(Br)c1Br)C1CCCCC1 1924579921 LUKOQOMHEQICOV-SECBINFHSA-N 451.449 6.896 50 10 JKGE Cl[C@@H](c1c(Br)sc(Br)c1Br)c1cccc2ccccc12 1924599319 FPDKPKPPYJGLQQ-CYBMUJFWSA-N 495.461 7.517 50 10 JKGE CCO[C@@H]1C[C@@H]1[C@H](Cl)c1c(Br)sc(Br)c1Br 1924607479 VJGOFXFEBNEFEV-UUEMRFSQSA-N 453.421 5.741 50 10 JKGE Cc1cc(Br)c(CBr)c(N(Cc2ccccc2)[C@@H]2COC(C)(C)C2)c1 2053218921 LCBGKRDQPGMAAW-KRWDZBQOSA-N 467.245 6.227 50 10 JKGE N#CC(=Cc1cn(-c2ccccc2)nc1-c1ccc2c(c1)OCCO2)c1ccc([N+](=O)[O-])cc1 2053513653 SNXVPTZFTSRECX-UHFFFAOYSA-N 450.454 5.283 50 10 JKGE CC(C)(C)OC(=O)NCCSSCCN[C@@H]1CCN(C(=O)OC(C)(C)C)C2(CCCC2)C1 2074132623 HUAYMTXIONNYBX-GOSISDBHSA-N 489.748 5.194 50 10 JKGE CCOc1ccc(Cn2nc(CCl)c(I)c2C(F)(F)F)c(C)c1 2079211200 LVESMSDSANAXLF-UHFFFAOYSA-N 458.649 5.001 50 10 JKGE ClCc1cc(Br)ccc1OCc1cccc(Br)c1Br 2092329803 AKBSUEDWSMWKDO-UHFFFAOYSA-N 469.398 6.292 50 10 JKGE Cc1cc(Br)c([C@H](Br)C2C[C@@H]3[C@@H](C2)C3(C)C)cc1Br 2093575220 JNNPVUDINWKVMY-LALPHHSUSA-N 451.040 6.638 50 10 JKGE COCCc1ccc([C@@H](Br)c2csc(Br)c2Br)cc1 2093941730 AXNJWNBDJULGLO-GFCCVEGCSA-N 469.036 5.946 50 10 JKGE COC1CC2(C1)CC([C@@H](Br)c1sc(Br)c(C)c1Br)C2 2100345040 HVZVMRCNRPOJDR-RWUBSZJOSA-N 473.068 6.223 50 10 JKGE Clc1ccc(COc2cc(Br)ccc2CBr)cc1Br 2110517814 GUYJJZSJWFZPBZ-UHFFFAOYSA-N 469.398 6.339 50 10 JKGE ClCCc1nc2cc(Cl)c(Br)cc2n1C[C@H]1CCN1Cc1ccccc1 2112694511 AVLZMFGUFIRFPA-OAHLLOKOSA-N 453.211 5.508 50 10 JKGE C[C@@H](CCBr)N(Cc1ccccc1)C(=O)c1cc(Br)cc(C(F)(F)F)c1 2115770971 GDEBGHMFJZRVCM-ZDUSSCGKSA-N 493.161 6.284 50 10 JKGE CN(C(=O)c1scc(Br)c1Br)[C@H]1CCCCC[C@H]1Br 2115909280 AJFGKMAFEHGXTG-SCZZXKLOSA-N 474.056 5.441 50 10 JKGE Cc1cc(Br)c(CBr)c(Oc2cc(F)cc(Br)c2)c1 2116824607 QBSKZGMKEMKGSQ-UHFFFAOYSA-N 452.943 6.346 50 10 JKGE F[C@H](COc1c(Br)cc(CBr)cc1Br)C1CCCC1 2121595441 FDFCILCJYDHQJK-CYBMUJFWSA-N 458.991 6.014 50 10 JKGE Cc1c(Br)ccc([C@@H](Br)CC(C2CC2)C2CC2)c1Br 2138852570 SOUCXPMVDBLQEG-HNNXBMFYSA-N 451.040 6.782 50 10 JKGE C[C@@H]1Cc2cc(Br)cc([C@@H](Br)c3cc(Cl)c(Cl)s3)c2O1 2156056624 YNLXFBJNUKNRFU-SREIQFSDSA-N 457.014 6.625 50 10 JKGE CN(Cc1ccccc1)[C@H](Cn1c(CCl)nc2cc(Br)c(Cl)cc21)C1CC1 2159862642 ACKMZWFQARQLTB-HXUWFJFHSA-N 467.238 6.102 50 10 JKGE Clc1sc(Br)c(Cl)c1[C@H](Br)[C@@H]1C[C@@H]2CCCCCC[C@H]21 2166122089 GPVTVZQAZXBTNB-BTQIBKBOSA-N 461.090 7.860 50 10 JKGE Fc1c(CC[C@@H](Br)c2ccccc2Br)ccc(Cl)c1Br 2169759213 YPABKPBYHAVLCI-GFCCVEGCSA-N 485.416 7.073 50 10 JKGE O=[N+]([O-])c1cc(Oc2ccc(Br)cc2Br)ccc1CBr 2188574855 VSGHHIMOGDSVGR-UHFFFAOYSA-N 465.923 5.807 50 10 JKGE CCCC(CBr)(CCC)CN=[S@](C)(=O)[C@H]1C[C@H](CNC(=O)OC(C)(C)C)C1 2192626857 RFAUBTDJENDFRI-DDWQGHIRSA-N 467.514 5.369 50 10 JKGE COc1cc(C)c([C@H](Br)c2ccc(Cl)c(Br)c2)cc1Br 2198737082 LMFOIBCUQOFLMG-OAHLLOKOSA-N 483.425 6.666 50 10 JKGE COc1c(Br)cc(C)cc1[C@H](Cl)c1ccc(Br)cc1Br 2203815060 QBEFIMBVKIHTQT-CQSZACIVSA-N 483.425 6.619 50 10 JKGE Cc1ccc([C@H](Br)Cc2cccc(Br)c2)cc1I 2217864465 KBGFAXVOWHKRED-CQSZACIVSA-N 479.981 6.041 50 10 JKGE Fc1ccc(Cl)c(F)c1[C@H](Br)c1cc(Br)c(Br)s1 2219412709 PVGIHXNDAPYVAM-SECBINFHSA-N 481.381 6.689 50 10 JKGE CC(C)(C)OC(=O)NC[C@H]1CCN(CCCCCI)c2ccccc21 2220213047 BOSUPQHCZZROJF-MRXNPFEDSA-N 458.384 5.110 50 10 JKGE CCCCCCc1ccc([C@@H](Cl)c2csc(Br)c2Br)s1 2234126410 LLHLGSASRJJLRI-AWEZNQCLSA-N 456.696 7.786 50 10 JKGE COc1ccc([C@H](Br)c2c(Br)cc(C)c(Br)c2C)cc1 2235603116 HLMFYUPBXUJSKZ-INIZCTEOSA-N 463.007 6.321 50 10 JKGE Cc1cc(Br)c([C@H](Br)CC2CC(C(F)F)C2)c(C)c1Br 2235603457 BEHHIEMEWCPBJR-RTYFJBAXSA-N 475.009 6.946 50 10 JKGE ClCc1nc2cc(Br)c(Br)cc2n1C1CSCCSC1 2237076203 JVHXICPREXYLOI-UHFFFAOYSA-N 456.656 5.321 50 10 JKGE CCC1CCC(O[C@@](C)(CI)c2ccccc2Br)CC1 2240441869 URIVMTWEZLMPAR-KVULBXGLSA-N 451.186 6.085 50 10 JKGE Brc1ccccc1[C@H](CI)O[C@@H]1CCN(Cc2ccccc2)C1 2244772324 YGHHTDVOBOKCFF-APWZRJJASA-N 486.191 5.216 50 10 JKGE CC1(F)CC([C@@H](Br)c2c(F)cc(Br)c(F)c2Br)C1 2260068915 RAYVVRNHSVKRMN-UNXPPYCYSA-N 450.918 6.064 50 10 JKGE FC(F)(F)C1([C@H](Br)Cc2cc(Br)cc(Br)c2)CC1 2263511668 YETGYBZLQXKXQD-SNVBAGLBSA-N 450.918 5.860 50 10 JKGE CC[C@@H](Br)c1nnc(Cc2cc(Br)cc(Br)c2)s1 2263515922 VAWQHEYGNWMCCZ-SNVBAGLBSA-N 455.013 5.500 50 10 JKGE Clc1ccc([C@H](Cl)c2cc(C3CC3)c(Br)s2)cc1I 2268286722 BHNBNPATLWJJMD-ZDUSSCGKSA-N 488.015 6.974 50 10 JKGE COc1ccc([C@H](Cl)c2cc(Br)ccc2C)cc1I 2269548323 VXSKOFDIPDIRHP-HNNXBMFYSA-N 451.529 5.699 50 10 JKGE Brc1cccc(Br)c1[C@H](Br)c1ccc(C2CCC2)s1 2271973859 NYKCECJEWBDGJS-OAHLLOKOSA-N 465.048 7.025 50 10 JKGE COc1ccc(C(=O)N(Cc2ccccc2)[C@H](CBr)C2CC2)c(Cl)c1OC 2283570201 JBPMRHBNGYLBGI-QGZVFWFLSA-N 452.776 5.173 50 10 JKGE COc1c([C@@H](Br)c2c(Br)cc(F)c(Cl)c2F)csc1Cl 2284307387 AILXISPSWDSWOA-MRVPVSSYSA-N 466.956 6.589 50 10 JKGE COc1ccc([C@H](Br)[C@H]2CC[C@]3(C2)CC3(F)F)cc1I 2284998761 MRCWVNWEDGTCNN-BPNCWPANSA-N 457.096 5.561 50 10 JKGE COc1c([C@@H](Br)c2cc(Br)co2)cc(Br)c2c1CCC2 2285993711 OEWPYIJWOLUQLQ-CQSZACIVSA-N 464.979 5.786 50 10 JKGE Fc1cc(Br)c(F)c(Br)c1[C@H](Br)[C@@H]1C[C@H]2CCCC[C@@H]21 2288372912 CPOXEMXQOLJSKE-LOKDSWTASA-N 472.993 6.752 50 10 JKGE FC(F)C1(CBr)CCN(Cc2ccc(I)c(Cl)c2)CC1 2289890515 UBFUOSDORURKNO-UHFFFAOYSA-N 478.546 5.187 50 10 JKGE COc1cc(Br)c(C=C(C#N)C(=O)Nc2cc(Cl)ccc2Cl)cc1OC 2293665595 SGZOBEVAFFCPOJ-UHFFFAOYSA-N 456.123 5.319 50 10 JKGE COc1c(Br)cc(Cl)c(C)c1[C@H](Cl)c1cc(C)sc1Br 2295378708 SAEMWFUOYNNBMV-GFCCVEGCSA-N 459.030 6.880 50 10 JKGE COc1cc(C=C(C#N)C(=O)NCc2ccccc2)ccc1OCc1cccc(C(F)(F)F)c1 2295672258 HFHQESHVZHRPRY-UHFFFAOYSA-N 466.459 5.516 50 10 JKGE C[C@@H](NC(=O)C(C#N)=C1NC(=NC(=O)c2ccc(Cl)cc2Cl)c2ccccc21)c1ccccc1 2296532755 XHGHOKCXDAEWRP-OAHLLOKOSA-N 489.362 5.296 50 10 JKGE N#CC(=CNc1ccc(F)c(F)c1)c1nc(-c2cc3cc(Br)ccc3oc2=O)cs1 2296763942 JHUVABYACRCXJK-UHFFFAOYSA-N 486.297 5.934 50 10 JKGE Cc1ccc2nc(Cl)c(C=C(C#N)c3nc(-c4ccc(Br)cc4)cs3)cc2c1 2297315511 BXKDEZXWVDOJGH-UHFFFAOYSA-N 466.791 7.147 50 10 JKGE CC1CC(CC[C@H](Br)c2cc(Br)ccc2OCc2ccccc2)C1 2299496475 UJYQJVMPXFDPHX-LAGYLCCXSA-N 452.230 7.290 50 10 JKGE CC(C)(C[C@H](Br)c1ccc(OCc2ccccc2)cc1Br)C1CC1 2299503954 JTSQPZMHQNGXME-FQEVSTJZSA-N 452.230 7.290 50 10 JKGE CC1CCC([C@@H](Br)c2ccc(OCc3ccccc3)cc2Br)CC1 2299529629 DWCDONANAIAWJS-AEJJIKPWSA-N 452.230 7.290 50 10 JKGE CC(C)(C)[C@@H](Br)CCCc1ccc(I)c(Br)c1 2306200260 VWKOTKIKJBLGQN-ZDUSSCGKSA-N 474.018 6.186 50 10 JKGE CCC[C@H](CBr)COCc1ccc(I)c(Br)c1 2306305060 PZKWHZFRHQDGAS-LLVKDONJSA-N 475.990 5.382 50 10 JKGE COc1cc(C=C(C#N)C(=O)Nc2cccc3ccccc23)ccc1OCc1ccccc1Cl 2313676830 MPWUCASLSOOSKI-UHFFFAOYSA-N 468.940 6.626 50 10 JKGE COc1ccc(CNC(=O)C(C#N)=Cc2ccc(OCc3ccc(Cl)cc3Cl)c(OC)c2)cc1 2313730188 BNCRPPMYQKJJPO-UHFFFAOYSA-N 497.378 5.813 50 10 JKGE CCOc1cc(C=C(C#N)c2nc(O)c3ccccc3n2)ccc1OCC(=O)Nc1ccc(C)cc1 2314433141 KIKHRHSEWOVENA-UHFFFAOYSA-N 480.524 5.124 50 10 JKGE Fc1ccc([C@@H](Br)c2cc(Br)ccc2OCc2ccccc2)cc1F 2314449853 UBGRUEQZUWBACH-HXUWFJFHSA-N 468.135 6.791 50 10 JKGE Brc1ccc(OCc2ccccc2)c([C@H](Br)C2[C@@H]3[C@H]4CC[C@@H](C4)[C@@H]23)c1 2314450128 WGBZOINTDSTTFC-RWWAEHCESA-N 462.225 6.756 50 10 JKGE CCCOc1ccc(-c2nn(-c3ccccc3)cc2C=C(C#N)c2nc3ccccc3s2)cc1Cl 2314476289 MBCQASXLGVAFPL-UHFFFAOYSA-N 497.023 7.655 50 10 JKGE N#CC(=Cc1ccc(-c2c(Cl)cccc2Cl)o1)C(=O)Nc1cccc(C(F)(F)F)c1 2314482666 RGIRMHJGGKONAA-UHFFFAOYSA-N 451.231 6.818 50 10 JKGE CC12CC([C@@H](Br)c3cc(Br)ccc3OCc3ccccc3)(CCO1)C2 2314502552 KAKIMYDOWBOGIM-MWXLCCTBSA-N 466.213 6.423 50 10 JKGE FC1(F)[C@H]([C@@H](Br)c2sc(Cl)cc2I)C12CCCC2 2316604747 CAGPFYOMMMUFEE-WCBMZHEXSA-N 467.544 6.268 50 10 JKGE Brc1cc([C@H](Br)[C@@H]2COC3(CCC3)CO2)c(Br)s1 2316791178 MDIBYFIAZPWELW-WPRPVWTQSA-N 461.013 5.047 50 10 JKGE Clc1ccc([C@@H](Br)c2cc(Cl)ccc2Cl)c(I)c1 2317775147 NBPDUYZOYLGHSA-CYBMUJFWSA-N 476.366 6.736 50 10 JKGE Clc1ccc(I)cc1CO[C@@H]1CCCCC[C@@H]1I 2327242479 RIOXOIDGXHRPDH-UONOGXRCSA-N 490.550 5.598 50 10 JKGE CCc1ccc(OCCCC(O)=C(C#N)c2nc(-c3ccc(-c4ccccc4)cc3)cs2)cc1 2331232079 PSPPWOSDYWZUFG-UHFFFAOYSA-N 466.606 7.691 50 10 JKGE COc1cc(OC)c(-c2csc(C(C#N)=C(O)C=Cc3ccc(Cl)c(Cl)c3)n2)cc1Cl 2331378639 LLLVIWBTBWQPIF-UHFFFAOYSA-N 493.799 7.294 50 10 JKGE COc1cc(Cl)c(C)cc1-c1csc(C(C#N)=C(O)COc2ccc(C)cc2C(C)(C)C)n1 2331390610 SJCJTYLZHSCXNR-UHFFFAOYSA-N 483.033 7.258 50 10 JKGE Cc1ccc(C(C)(C)C)cc1-c1csc(C(C#N)=C(O)c2ccc3c(c2)C(=O)N(C(C)C)C3=O)n1 2331396349 PJGZOCQYAUJXPA-UHFFFAOYSA-N 485.609 6.370 50 10 JKGE COc1ccc(OCCCC(O)=C(C#N)c2nc(-c3cc(C)c(OC)cc3C)cs2)cc1 2331403065 YNKCTHAYJVCWLE-UHFFFAOYSA-N 450.560 6.096 50 10 JKGE COc1cc(C(O)=C(C#N)c2nc(-c3ccc(OC)c4ccccc34)cs2)c([N+](=O)[O-])cc1OC 2331408184 GDABDDJVJAYHOP-UHFFFAOYSA-N 489.509 5.847 50 10 JKGE COc1ccc(Cl)cc1-c1csc(C(C#N)=C(O)C=Cc2ccc3c(c2)OCCO3)n1 2331410879 NAZAUKZXZXUWON-UHFFFAOYSA-N 452.919 5.749 50 10 JKGE CCCCOc1ccc(C=C(C#N)c2nc(-c3ccc(Cl)c(Cl)c3)cs2)cc1OC 2331443949 RBKRUYPUZSSQRW-UHFFFAOYSA-N 459.398 7.369 50 10 JKGE CCCOc1ccc(-c2csc(C(C#N)=Cc3ccc(OC(=O)c4ccccc4)cc3)n2)cc1 2331445327 JNLGYYTUTXKZKN-UHFFFAOYSA-N 466.562 6.882 50 10 JKGE COc1ccc(-c2csc(C(C#N)=Cc3cccc(OCc4ccccc4)c3)n2)c(OC)c1 2331473744 YYJLQLQGRRLVHL-UHFFFAOYSA-N 454.551 6.470 50 10 JKGE Brc1ccc(Br)c([C@@H](Br)[C@@H]2OC[C@@H]3CCCC[C@@H]32)c1 2333528044 ZAQRKJYGVHWECX-YZENIEGJSA-N 453.012 5.853 50 10 JKGE Cc1c(Br)ccc([C@H](Br)[C@@H]2CC[C@@H]3C[C@H]2CO3)c1Br 2334122374 GYBIHXCRVVGWAC-MYQWFSQQSA-N 453.012 5.771 50 10 JKGE Fc1cc(Cl)c([C@@H](Cl)c2cc(Br)ccc2OCc2ccccc2)cc1F 2336037883 HZMIRCMTFMEHBY-HXUWFJFHSA-N 458.129 7.288 50 10 JKGE CCCc1sc(Br)cc1[C@@H](Br)c1cc(C)cc(Br)c1 2338023953 NMSWASWYWSCJLU-HNNXBMFYSA-N 467.064 7.018 50 10 JKGE COc1c(Br)cc(C)c([C@H](Br)C2[C@H]3CCC[C@H]23)c1Br 2339689905 QUPIHYYRECGBHD-RVBZMBCESA-N 453.012 6.011 50 10 JKGE Fc1cc(Cl)c([C@H](Cl)c2cc(Br)ccc2OCc2ccccc2)c(Cl)c1 2340797313 BXPBCZRXDGTNDY-HXUWFJFHSA-N 474.584 7.802 50 10 JKGE ClC[C@@H]1C[C@H]2CCC[C@@H]2N1Cc1ccc(I)c(Br)c1 2349825318 CKNDDJHPDCWNKG-XUJVJEKNSA-N 454.577 5.036 50 10 JKGE C=CC[C@]1(CBr)CCCN1Cc1ccc(I)c(Br)c1 2349831897 UPHAZTIAUCSAHG-OAHLLOKOSA-N 499.028 5.359 50 10 JKGE CC1CCC([C@H](CCl)Nc2ncc(I)cc2Br)CC1 2351581021 FLLZZOCOGNOMAV-ZPPKWKGLSA-N 457.581 5.294 50 10 JKGE Cc1cc(Br)c(C)c([C@H](Br)[C@H]2OC[C@@H]3CCC[C@H]23)c1Br 2358467649 BURZAWNAYRMBAW-GREKMHCPSA-N 467.039 6.080 50 10 JKGE CC(C)(C)c1ccc([C@@H](Br)c2ccc(OCc3ccccc3)cc2Br)cc1 2361199653 BVKMIRNQZAMFHU-HSZRJFAPSA-N 488.263 7.810 50 10 JKGE CC(C)(C)C1([C@@H](Br)c2c(Cl)cc(Br)c(F)c2Br)CCC1 2362250199 ZRNFPLFETMEPCV-ZDUSSCGKSA-N 491.464 7.657 50 10 JKGE CC(C)(CO[C@]1(CI)CCCN(C(=O)OC(C)(C)C)C1)Cc1ccccc1 2364249416 RWWMMROAYKRQLX-QFIPXVFZSA-N 487.422 5.477 50 10 JKGE Cc1cc(Br)c(F)c(Br)c1[C@H](Br)[C@H]1C[C@@]12CCCOC2 2365192959 FMTHCQXKLSTSEY-DDHOLCJHSA-N 471.002 5.912 50 10 JKGE Cc1cccc([C@H](CBr)OCc2c(Br)cccc2Br)c1 2366183371 VBVOULTZNAGTRP-INIZCTEOSA-N 463.007 6.173 50 10 JKGE O=C(NC1CCCCC1)[C@H](c1ccccc1F)N(C(=O)CCl)c1ccc(Br)cc1F 3033990 ZXYQJTPOAITQNZ-NRFANRHFSA-N 499.783 5.489 50 10 JKGE CCCCCCOc1ccc(C(=O)NNC(=O)COc2ccc(Br)cc2C(C)C)cc1 9231647 SPTBGMCFHQFNCI-UHFFFAOYSA-N 491.426 5.372 50 10 JKGE CCc1ccc([C@H]2C(C#N)=C(N)N(c3ccccc3Cl)C3=C2C(=O)C[C@H](c2ccccc2)C3)s1 9981978 FDUSWSMLSIIDSM-WXTAPIANSA-N 486.040 6.662 50 10 JKGE CCCCCCOc1ccc(C(=O)NNC(=O)COc2ccccc2C(C)C)cc1Br 14640635 SWRRRDRMUZCOKU-UHFFFAOYSA-N 491.426 5.372 50 10 JKGE CC(C)COc1ccc(C(=O)NNC(=O)COc2ccc(C(C)(C)C)cc2C(C)(C)C)cc1 14661785 YSOISFJKEWOSJU-UHFFFAOYSA-N 454.611 5.156 50 10 JKGE O=C(N/N=C/c1cn(-c2ccccc2)nc1-c1ccc(F)cc1)c1ccccc1OCc1ccccc1 20522856 OHDNAOLUHOACRX-BIZUNTBRSA-N 490.538 6.021 50 10 JKGE COCCCNC(=O)/C(C#N)=C/c1cn(-c2ccccc2)nc1-c1ccc(OCc2ccccc2)cc1 33378982 RENHOTDJQRDQKP-NCELDCMTSA-N 492.579 5.178 50 10 JKGE N#C/C(=C/c1cn(-c2ccccc2)nc1-c1ccc(OCc2ccccc2)cc1)c1nc2ccccc2[nH]1 33385781 FNNLMZJWJSGQGZ-PLRJNAJWSA-N 493.570 7.059 50 10 JKGE CCCCCCOc1ccc(/C=C(/C#N)C(=O)NCCOc2cc(C)cc(C)c2)cc1OC 33592298 BBISIADYPJJDFT-QJOMJCCJSA-N 450.579 5.373 50 10 JKGE CC(C)Oc1ccccc1/C=C(/C#N)S(=O)(=O)c1cc(Br)ccc1Br 33600709 ROWFVCMLJKHGSH-DHDCSXOGSA-N 485.197 5.337 50 10 JKGE COc1ccc(C(=O)N/N=C\c2cc(Br)ccc2OC(=O)c2ccc(Cl)cc2)cc1 35225226 FAMMZHGMHRZCGU-MXAYSNPKSA-N 487.737 5.094 50 10 JKGE CCc1ccc(O[C@H](C)C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@@H]3c2cccc(Cl)c2)cc1 38651248 ZBPVKWMQBDMQCI-PUAOIOHZSA-N 474.944 5.493 50 10 JKGE CCCCOc1cccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4ccc([N+](=O)[O-])cc4)ccc32)c1 38685120 HHLPUKCGUNUDDH-RUZDIDTESA-N 485.496 5.211 50 10 JKGE CCc1ccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4oc5c(C)c(C)ccc5c4C)ccc32)cc1 38700459 GRPJJENMVDSTJO-AREMUKBSSA-N 478.548 6.358 50 10 JKGE Cc1ccc(Oc2nc3c(C)cccn3c(=O)c2/C=C(/C#N)C(=O)Nc2cccc(Cl)c2)c(C)c1 39858868 ZHLQUVYBMFCSKO-UYRXBGFRSA-N 484.943 5.611 50 10 JKGE Cc1ccc2[nH]c(-c3ccc4ccccc4n3)c(CCCC(=O)NNC(=O)c3ccccc3)c2c1 39867306 JWQGKLOKWSYSQQ-UHFFFAOYSA-N 462.553 5.475 50 10 JKGE O=C(NNc1ncnc(Nc2cccc3ccccc23)c1[N+](=O)[O-])c1ccc(Cl)cc1Cl 40627224 AKTIINLDAFPGSJ-UHFFFAOYSA-N 469.288 5.345 50 10 JKGE Cc1cccc(C(=O)N/N=C2\CCCc3oc(C(=O)Nc4cccc5ccccc45)c(C)c32)c1 40811366 DFTZBMOMSPVAPO-JJKYIXSRSA-N 451.526 5.772 50 10 JKGE Cc1c(C(=O)Nc2ccc(C(C)C)cc2)oc2c1/C(=N/NC(=O)c1cccc(Cl)c1)CCC2 40813309 UXRUUWBDAVIOKG-XHLNEMQHSA-N 463.965 6.088 50 10 JKGE COc1cc(/C=N/NC(=O)[C@H](C)Oc2ccc(C(C)(C)C)cc2)ccc1OCc1ccccc1Cl 40961449 LMIOFVJKHZLFLD-WMMCOQJOSA-N 495.019 6.143 50 10 JKGE CCCOc1c(Br)cc(/C=C(\C#N)C(=O)Nc2cccc([N+](=O)[O-])c2)cc1OCC 59484817 LCIOPBOVJFEYKK-OQLLNIDSSA-N 474.311 5.090 50 10 JKGE Brc1cccc(Br)c1O[C@H]1C[C@H](Br)C12CCCCC2 97638435 CVUBJVOFWHELCK-STQMWFEESA-N 453.012 6.077 50 10 JKGE CC1=C(C#N)C(=O)N(C2CCCC2)C(=O)/C1=C/c1ccc(OCc2ccc(Cl)cc2Cl)cc1 101338794 QIYOHUPLQATOMJ-WSDLNYQXSA-N 481.379 6.107 50 10 JKGE Cc1ccc(CS/C(Nc2c(C)cccc2C)=C(/C#N)S(=O)(=O)c2ccccc2)c(C)c1 104688820 BTELHFONBREJDU-LCUIJRPUSA-N 462.640 6.432 50 10 JKGE Brc1ccc(Br)c([C@H](Br)[C@H]2COc3ccccc3O2)c1 109844513 SJFHHWRRFAYAES-CABCVRRESA-N 462.963 5.488 50 10 JKGE Cl[C@H](c1ccccc1)c1nnc(-c2cc(Br)c(Br)s2)s1 128604451 NMGSGOHDBGQFSH-SNVBAGLBSA-N 450.608 6.120 50 10 JKGE CCOc1ccc([C@@H](Cl)c2cc(Br)ccc2Br)c(Br)c1 161114079 TXLLEPYXPOVHAP-OAHLLOKOSA-N 483.425 6.701 50 10 JKGE C=CCOc1ccc(-c2nn(-c3ccccc3)cc2/C=C2\C(=O)N(CC)C(=O)C(C#N)=C2C)c(C)c1 214209852 WIVMBYZIEDEDBK-XYGWBWBKSA-N 478.552 5.025 50 10 JKGE CCC[C@H](CCBr)CNC(=O)c1ccc(Br)cc1Br 227499222 CGRFLEZDLYENSA-SNVBAGLBSA-N 456.016 5.143 50 10 JKGE Cc1sc([C@H](Br)c2ccc(Br)cc2Cl)cc1Br 227837378 ZHFUMKZQLFWERJ-GFCCVEGCSA-N 459.428 6.719 50 10 JKGE Clc1c(Br)cccc1[C@H](Br)c1cc2c(cc1Br)OCCO2 228452609 PKOWDBXAAGUILG-AWEZNQCLSA-N 497.408 6.121 50 10 JKGE CCC(CC)(CBr)CNC(=O)c1cc(Br)c(Br)s1 230245888 DNKVXNXMKPTVRR-UHFFFAOYSA-N 462.045 5.204 50 10 JKGE Clc1cc([C@@H](Cl)c2cc(Br)cc3c2OCC3)ccc1I 232345223 NIPFHFFQASMGGQ-CQSZACIVSA-N 483.958 5.970 50 10 JKGE CN1/C(=C/C=NNC(=O)c2cn(-c3ccccc3)nc2-c2ccccc2)C(C)(C)c2ccccc21 252513370 ZAECHMXFBNWFJU-FQZLMYBLSA-N 461.569 5.566 50 10 JKGE COc1cc2c(cc1NC(=O)CC(C)=NNC(=O)c1ccc3ccccc3c1)oc1ccccc12 254508689 UWUCGEGWQPWRBP-UHFFFAOYSA-N 465.509 5.882 50 10 JKGE CC(=NNC(=O)c1cc(-c2ccc(C)c(C)c2)nc2ccccc12)c1ccc(NS(C)(=O)=O)cc1 254577414 GAUAJZKTLLJONK-UHFFFAOYSA-N 486.597 5.044 50 10 JKGE CC(=NNC(=O)COc1ccc(C(C)(C)CC(C)(C)C)cc1)c1ccc2c3c(cccc13)CC2 254763954 PIDHQGIDCLVANQ-UHFFFAOYSA-N 456.630 6.571 50 10 JKGE CCCOc1ccc(-c2nn(-c3ccccc3)cc2C=NNC(=O)c2cccc([N+](=O)[O-])c2)cc1 254826670 HTQDPNZFQSYVCP-UHFFFAOYSA-N 469.501 5.000 50 10 JKGE Cc1cc([C@@H](Br)c2cccc(C)c2I)c(C)cc1Br 300473910 YIZJTHXQLMQOFZ-HNNXBMFYSA-N 494.008 6.463 50 10 JKGE Cl[C@@H](c1ccccc1OCc1ccccc1)c1cc(I)cc2c1OCC2 388355718 CHTFCVSRAMIPNS-NRFANRHFSA-N 476.741 6.133 50 10 JKGE C[C@@H]1CN(Cc2ccccc2)CCCN1c1cccc(Br)c1CBr 394703201 KGNJWCAJTOFVQD-MRXNPFEDSA-N 452.234 5.445 50 10 JKGE CC(C)[C@H](CN(C)Cc1ccccc1)n1c(CCl)nc2cc(I)ccc21 398229699 ZIKPNGCQTYYTPX-FQEVSTJZSA-N 481.809 5.709 50 10 JKGE O=C(NC1(CCBr)CCCCC1)c1cc(Br)cc(Br)c1 687326908 WBXFEVQMOSSUOL-UHFFFAOYSA-N 468.027 5.429 50 10 JKGE C[C@H](CC(F)F)CC(CBr)(CBr)c1ccc(Br)cc1 687833648 OCYZGMIYVQBRJR-SNVBAGLBSA-N 462.998 6.158 50 10 JKGE COCc1cc(Br)c([C@@H](Br)c2cc(Br)ccc2Cl)s1 688144911 MCMDKEOUFAAHTO-LBPRGKRZSA-N 489.454 6.557 50 10 JKGE COc1ccc([C@H](Br)Cc2ccc(Br)cc2F)c(Br)c1 692791922 FNOKOTXWFQSYAO-CYBMUJFWSA-N 466.970 6.038 50 10 JKGE Clc1ccc(COc2c(Br)cc(CBr)cc2Br)nc1 703887613 WTMSDJFDXCRWEA-UHFFFAOYSA-N 470.386 5.734 50 10 JKGE Cc1cc(F)c([C@@H](Br)c2cccc(F)c2I)cc1Cl 721719425 PDDNLZJXMKCIOH-ZDUSSCGKSA-N 457.483 6.016 50 10 JKGE O=C(CSCc1ccc(Cl)cc1)NN=C1C(=O)N(C/C=C/c2ccccc2)c2ccccc21 1083971801 BNKOMPZZBXFFQO-ITTNBNRRSA-N 476.001 5.154 50 10 JKGE CCC(C)=NNC(=O)c1ccc(CN(c2cccc(Cl)c2C)S(=O)(=O)c2ccccc2)cc1 1084091313 QTSMJCPQEPBXIJ-UHFFFAOYSA-N 484.021 5.560 50 10 JKGE Cc1ccc(C)c(-n2c(C)c(Br)c(C=NNC(=O)[C@H](C)Sc3ccccc3)c2C)c1 1084641219 BNZLUUGDIGUTAI-IBGZPJMESA-N 484.463 6.104 50 10 JKGE COc1ccc(C(=O)NN=C2CCCc3oc(C(=O)Nc4ccccc4C(F)(F)F)c(C)c32)cc1 1772746757 ZQFCJQRITCYTFI-UHFFFAOYSA-N 485.462 5.338 50 10 JKGE Cc1ccc(CCC(=O)Nc2cccc3c(OC(=O)Nc4ccc(SC#N)cc4)cccc23)cc1 1858774578 OEGKMWYKRWCSBC-UHFFFAOYSA-N 481.577 6.904 50 10 JKGE COc1ccc(-c2nn(Cc3ccc(Cl)cc3)c3c2[C@@H](c2cc(C)ccc2O)C(C#N)=C(N)O3)cc1 1865687730 YXAZPKVVHCGGKY-DEOSSOPVSA-N 498.970 5.493 50 10 JKGE N#CC1=C(N)Oc2c(c(-c3ccccc3)nn2Cc2cccc(Cl)c2)[C@@H]1c1c[nH]c2ccccc12 1865699864 FCQFBBOXNHNGOJ-DEOSSOPVSA-N 477.955 5.951 50 10 JKGE CCCc1nn(-c2ccc(Cl)cc2)c2c1[C@@H](c1cc(Br)ccc1F)C(C#N)=C(N)O2 1865702704 ZWUFDZDCLZEPIA-IBGZPJMESA-N 487.760 5.598 50 10 JKGE C/C(=C\c1cccc(Cl)c1)C(=O)N[C@@H](Cc1ccccc1)C(=O)Nc1ccc(SC#N)cc1 1866822208 TXGUSSFIUZMBCD-KPUQOTSHSA-N 476.001 5.683 50 10 JKGE CC(C)(C)c1nc(Nc2ccc(SC#N)cc2)cc(N2CCC[C@@H]2c2nc3ccccc3s2)n1 1868342305 QXDOHLIYNQUXKU-HXUWFJFHSA-N 486.670 7.042 50 10 JKGE C[C@H]1COC[C@@H](C)N1c1cc(Nc2ccc(SC#N)cc2)nc(-c2ccc(Cl)cc2)n1 1868432981 CXULTIDESZRNSY-IYBDPMFKSA-N 451.983 5.727 50 10 JKGE CCCCCCCCCOc1ccc(/C=C(\C#N)S(=O)(=O)c2ccc(Cl)cc2)cc1OC 1872727186 DOZQCQUTGRTKCG-HAVVHWLPSA-N 476.038 6.816 50 10 JKGE CCc1ccc(-c2csc(/C(C#N)=C(\O)[C@H]([C@H](C)CC)N3C(=O)c4ccccc4C3=O)n2)cc1 1872743997 CRNIYNCGQUKALY-HGIDEQORSA-N 471.582 5.876 50 10 JKGE CCCCc1ccc(-c2csc(/C(C#N)=C(\O)[C@H]([C@@H](C)CC)N3C(=O)c4ccccc4C3=O)n2)cc1 1872744633 AQBYDDAGAZBSOR-OOLACUAUSA-N 499.636 6.656 50 10 JKGE CCOc1ccccc1OC/C(O)=C(\C#N)c1nc(-c2cc(OC)c(Cl)cc2OC)cs1 1872754666 DARLSZYRAHKZON-SDXDJHTJSA-N 472.950 5.751 50 10 JKGE CCOc1ccc(OCC)c(-c2csc(/C(C#N)=C(\O)Cc3ccccc3[N+](=O)[O-])n2)c1 1872754897 NXVAAWLPFDJYSO-UZYVYHOESA-N 451.504 5.551 50 10 JKGE CCOc1ccc(OCC)c(-c2csc(/C(C#N)=C(\O)COc3ccccc3CC)n2)c1 1872754954 RCLNYYIIOCAERG-XDOYNYLZSA-N 450.560 6.042 50 10 JKGE CCOc1ccc(-c2csc(/C(C#N)=C(\O)c3ccc(OC(C)=O)cc3)n2)c(OCC)c1 1872755428 MOKLEZVFVQXQHP-ATJXCDBQSA-N 450.516 5.483 50 10 JKGE Cc1ccc(C(C)(C)C)cc1-c1csc(/C(C#N)=C(O)/C(=C\c2ccccc2)c2ccccc2)n1 1872755905 LLSIIUVZUVFMCB-PUZYTEFZSA-N 476.645 8.450 50 10 JKGE COc1ccc(/C=C/C(O)=C(\C#N)c2nc(-c3cc(Cl)cc(C)c3OC)cs2)cc1OC 1872756889 GJHREHORPNSRSE-VUXJZKGLSA-N 468.962 6.304 50 10 JKGE CCCCCOc1ccc(/C=C(\C#N)c2nc(-c3ccc([N+](=O)[O-])cc3)cs2)cc1OCC 1872784266 HIBZRXDDHHUOLL-XSFVSMFZSA-N 463.559 6.750 50 10 JKGE COc1cc(-c2csc(/C(C#N)=C/c3cc(Br)ccc3F)n2)c(OC)cc1Cl 1872793462 BBVQVRMSSNYHJW-LFYBBSHMSA-N 479.758 6.446 50 10 JKGE CCCOc1ccc(-c2csc(/C(C#N)=C(\O)Cc3cc(OC)ccc3OC)n2)cc1OCCC 1872818205 RVVZPJHMCIWSLX-LNVKXUELSA-N 494.613 6.440 50 10 JKGE Fc1c(Br)cc(Cl)c([C@H](Cl)[C@H]2C[C@H]2Br)c1Br 1900362220 RPGKLXNJKYBUKY-NHEJAXSNSA-N 455.774 6.067 50 10 JKGE COc1cc(C)c([C@@H](Br)c2cc(Br)oc2C)cc1Br 1901673962 JCAJKEJCWKIJTI-CQSZACIVSA-N 452.968 5.914 50 10 JKGE C[C@@](CCl)(CI)OCc1c(Br)cccc1Br 1901785969 GXLMMWJAGQDXGM-LLVKDONJSA-N 482.381 5.161 50 10 JKGE FC1(F)CCCC[C@@H]1[C@@H](Br)c1sc(Br)cc1Br 1922936523 VWZXZJJCIKODNJ-HZGVNTEJSA-N 452.984 6.535 50 10 JKGE Fc1cccc([C@@H](Cl)c2c(Br)sc(Br)c2Cl)c1Br 1923038920 LLIMJZHPNTWFOO-MRVPVSSYSA-N 497.836 7.156 50 10 JKGE Clc1c(Br)sc(Br)c1[C@@H](Cl)c1cc2c(s1)CCCCC2 1923048486 HJGBNJKKDZSPBE-NSHDSACASA-N 475.098 7.585 50 10 JKGE C[C@@H]1C[C@@H]2C[C@@H]2C[C@@H]1[C@H](Br)c1c(Br)sc(Br)c1Cl 1923065818 HTJMQLWDPLFSHG-BGJNVIQHSA-N 477.487 7.045 50 10 JKGE C[C@@H](c1ccncc1Br)[C@H](Br)c1ccc(F)c(Br)c1 1924038449 FZSNSUNETYQHFO-RTHLEPHNSA-N 451.959 5.985 50 10 JKGE Clc1cc([C@H](Cl)Cc2ncccc2Br)ccc1I 1924859451 BPTFKYOIGWWJQK-SNVBAGLBSA-N 456.936 5.625 50 10 JKGE Clc1sc(Cl)c([C@@H](Cl)c2scc(Br)c2Br)c1Cl 1925617390 IDFMUEUUHKTRTI-RXMQYKEDSA-N 475.869 7.623 50 10 JKGE Cc1c(Br)sc([C@H](Br)[C@H]2C[C@H]2C(F)(F)F)c1Br 1950756718 BEOIHXMMSJMTNG-HBPOCXIASA-N 456.947 6.216 50 10 JKGE Cc1sc(Br)c(C(=O)N(Cc2ccccc2)[C@H](CBr)C(C)C)c1C 1951017829 DCBVXMBWHYDWTP-MRXNPFEDSA-N 473.274 6.189 50 10 JKGE Cc1c(Cl)cc(C(=O)N(Cc2ccccc2)C[C@@H](C)Br)cc1Br 1979764412 SCYLRGUFJPIOJC-GFCCVEGCSA-N 459.609 5.837 50 10 JKGE CN[C@H](c1c(Br)sc(Br)c1Cl)[C@H]1C[C@@H](Br)C1 1991421437 KEGXLLZZINAONJ-UUEMRFSQSA-N 452.437 5.361 50 10 JKGE Fc1cc(Cl)c([C@H](Br)c2cc(I)sn2)cc1F 2007646425 XWIKCCQDUGELPK-JTQLQIEISA-N 450.473 5.164 50 10 JKGE Cc1nn(C)c([C@@H](Cl)c2cc(Br)c(Br)s2)c1Br 2017386452 NCEUAEISNXCAJG-QMMMGPOBSA-N 463.420 5.406 50 10 JKGE COc1sc([C@H](Br)c2ccc(Br)cc2Cl)cc1Br 2034629244 LPSKWOAUYAQTHW-LLVKDONJSA-N 475.427 6.419 50 10 JKGE Cc1ccc(C2=CSC(=C(C#N)C(=O)CSc3nnc(-c4ccccc4F)n3C3CC3)N2)cc1 2040464505 QARXIYIJRLJJQW-UHFFFAOYSA-N 489.601 5.459 50 10 JKGE C[C@@H]1CCc2c(sc3nc(C(C#N)=Cc4ccc(OCc5ccccc5)cc4)nc(O)c23)C1 2042446075 QKIMKIKPQQVEQP-QGZVFWFLSA-N 453.567 6.165 50 10 JKGE Cc1nc([C@H](Cl)c2cc(Br)c(C)cc2Br)c(Br)s1 2050332514 ZOXCNDYEVGHCAO-SNVBAGLBSA-N 474.443 6.376 50 10 JKGE Brc1cc([C@H](Br)c2cccc(I)c2)cc2c1OCC2 2090459916 FKSIVHYNAIYQDH-CQSZACIVSA-N 493.964 5.473 50 10 JKGE Brc1ccc(Br)c([C@H](Br)[C@]23CCCC[C@H]2CCC3)c1 2092627345 NZSDWFOCMVMFSC-UVBJJODRSA-N 451.040 7.008 50 10 JKGE Fc1cc([C@@H](Br)c2cc(Br)c(Cl)cc2F)ccc1Br 2097834009 HTYWRTYMAKBTGN-CYBMUJFWSA-N 475.352 6.628 50 10 JKGE C[C@@H](CBr)N(Cc1ccccc1)C(=O)c1ccc(OC(F)(F)F)c(Cl)c1 2107092894 JFTZDHIMSBDVCD-LBPRGKRZSA-N 450.682 5.664 50 10 JKGE CN(Cc1ccc(Br)s1)c1cc(Br)cc(F)c1CBr 2114267960 QPTVYZBTZJYSQO-UHFFFAOYSA-N 472.015 5.944 50 10 JKGE CN(C(=O)c1csc(Br)c1Br)[C@H]1CCCCC[C@@H]1Br 2115913358 FPLZYSBHMMBOEN-UWVGGRQHSA-N 474.056 5.441 50 10 JKGE Cc1cc(Br)c(CBr)c(N2CCN(Cc3ccccc3)CC(F)(F)C2)c1 2116824660 QZGXKUKDTFBXMN-UHFFFAOYSA-N 488.214 5.610 50 10 JKGE Cc1cc(Br)c(CBr)c(N2C[C@H](C)N(Cc3ccccc3)[C@@H](C)[C@H]2C)c1 2116826726 WHMDIIUFPKPJKF-OKZBNKHCSA-N 480.288 6.140 50 10 JKGE Cc1c(Br)ccc([C@H](Br)C2(F)CC3(CCC3)C2)c1Br 2138854263 SHGAQFGOQMEZJL-ZDUSSCGKSA-N 455.003 6.628 50 10 JKGE Cc1cc([C@H](Br)c2cc(Cl)c(F)cc2Cl)ccc1I 2142102771 AUDSXYRMOAPWBB-AWEZNQCLSA-N 473.938 6.530 50 10 JKGE Clc1csc([C@H](Br)c2cc3c(cc2Br)OCCO3)c1Cl 2152524245 TXWXTERGACYIMT-LLVKDONJSA-N 458.986 6.073 50 10 JKGE O=C(c1scc(Br)c1Br)N1CCC[C@]2(CBr)CCC[C@@H]12 2165290401 NJFYXDCMGQCPQQ-YGRLFVJLSA-N 486.067 5.443 50 10 JKGE BrCc1cc(Br)c(OC[C@@H]2[C@H]3CCCCC[C@H]32)c(Br)c1 2167303070 YECASZQUOPVOBY-ITGUQSILSA-N 467.039 6.312 50 10 JKGE BrC[C@@H]1CC2(CCCC2)CN1Cc1cc(Br)ccc1Br 2175149475 JMQFDDUBBXZTIR-AWEZNQCLSA-N 466.055 5.741 50 10 JKGE O=S(=O)(c1ccc(Cl)c(CBr)c1Cl)N1CC[C@@H](COCc2ccccc2)C1 2179833660 DEBWDCVOPSRBBW-OAHLLOKOSA-N 493.250 5.116 50 10 JKGE CCCn1cc(S(=O)(=O)N(Cc2ccccc2)[C@@H](C)C(C)(C)C)cc1CBr 2179858564 PXBYCUOKZBVZEN-KRWDZBQOSA-N 455.462 5.419 50 10 JKGE C[C@](F)(CC(CBr)(CBr)c1ccccc1Br)C(F)(F)F 2191829861 NQIKHQOCMDAPDR-NSHDSACASA-N 484.951 6.157 50 10 JKGE Cc1c(Br)ccc([C@H](Br)C2CC3(C2)CC(F)(F)C3)c1Br 2203707271 VBNGIINSEWULBB-CYBMUJFWSA-N 472.993 6.782 50 10 JKGE CC(C)(C)C1([C@@H](Br)c2cc(Br)c(Br)cc2F)CCC1 2225617486 OVJGSYJWTDURPI-ZDUSSCGKSA-N 457.019 7.003 50 10 JKGE Cc1ccc(C[C@@H](Br)c2c(Br)cc(Cl)c(Cl)c2Cl)cc1 2232514447 USDJXTKIOGGOAQ-SNVBAGLBSA-N 457.420 7.396 50 10 JKGE CCOCc1cc(Br)c([C@H](Br)c2ccc(C)c(Br)c2)s1 2233022711 PJZQAKYYMNSXHF-CQSZACIVSA-N 483.063 6.602 50 10 JKGE COc1cc(F)c([C@H](Br)c2sc(C)c(Br)c2C)cc1Br 2234464496 OIMBBVHEWQPLLQ-ZDUSSCGKSA-N 487.026 6.522 50 10 JKGE O=C(c1cc(Br)sc1Br)N1[C@H](CBr)C[C@H]2CCCC[C@@H]21 2240727737 BLAYLBCQKGKVIR-YWVKMMECSA-N 486.067 5.441 50 10 JKGE CC(C)(C)OC(=O)N[C@H](CBr)[C@@H]1C[C@@H]2CCCC[C@H]2N(C(=O)OC(C)(C)C)C1 2241259858 JAUQYYPTQMZESR-YLFCFFPRSA-N 461.441 5.090 50 10 JKGE Cc1csc([C@@H](Br)c2c(F)cc(Br)c(F)c2Br)c1 2260003664 ZBGXWPQJJRHGOY-SNVBAGLBSA-N 460.963 6.344 50 10 JKGE Cc1c(Br)ccc([C@@H](Br)[C@H]2COC3(CCC3)C2)c1Br 2269383109 RBBRQUZDYLITBR-YGRLFVJLSA-N 453.012 5.915 50 10 JKGE BrCc1cc(Br)cc(Br)c1OC[C@]12CCC[C@H]1CC2 2273400716 LQPFEPIGBLDVML-XHDPSFHLSA-N 453.012 6.066 50 10 JKGE FC1(F)[C@H]([C@@H](Br)Cc2cc(Br)cc(Br)c2)C12CCC2 2277962004 AZMMYNJKGZDPEN-NWDGAFQWSA-N 458.966 5.953 50 10 JKGE COc1cc(OC)c([C@H](Br)c2cscc2OCc2ccccc2)cc1Br 2278019633 QKNBUOIBDFPWPP-FQEVSTJZSA-N 498.236 6.591 50 10 JKGE CC1(C)CCC(C)(C)[C@@H](Cc2cccc(Br)c2Br)[C@@H]1Br 2290309218 WSBWPDVGWQFPPV-WFASDCNBSA-N 467.083 6.980 50 10 JKGE CCOC(=O)c1c(NC=C(C#N)c2nc(-c3ccc(OCC)cc3)cs2)sc2c1CCCC2 2296042409 TVHGVFYWXBXENL-UHFFFAOYSA-N 479.627 6.302 50 10 JKGE CCc1ccc(C[C@H]2SC(=C(C#N)C(=O)Nc3ccc(C)cc3)N(c3ccccc3)C2=O)cc1 2296506877 JMBLBEHRINBHRG-RUZDIDTESA-N 467.594 5.622 50 10 JKGE N#CC(=Cc1ccc(-c2cccc(Cl)c2Cl)o1)C(=O)Nc1ccc(Br)cc1F 2297551576 SFTLIBBYXSHHAS-UHFFFAOYSA-N 480.120 6.701 50 10 JKGE Brc1ccc(OCc2ccccc2)c([C@H](Br)[C@@H]2C[C@]23CCOC3)c1 2299504903 RDRWHESJHJBAAE-IHPCNDPISA-N 452.186 5.891 50 10 JKGE COc1ccc([C@H](Br)c2ccc(OCc3ccccc3)cc2Br)s1 2299511970 XRVCSHCAFWUZSN-LJQANCHMSA-N 468.210 6.583 50 10 JKGE Cc1c(Cl)sc(Cl)c1[C@@H](Br)c1scc(Br)c1Cl 2299537759 NISTXLMGZYLAID-ZCFIWIBFSA-N 455.451 7.325 50 10 JKGE COc1ccc(NC(=O)C(C#N)=Cc2cc(Br)ccc2OCc2cccc(F)c2)cc1 2313676604 IOFBBRXIPDOMJR-UHFFFAOYSA-N 481.321 5.721 50 10 JKGE Brc1cc(OCc2ccccc2)ccc1[C@@H](Br)CC1CCCCCC1 2314448789 KOLNARWKZNJVLZ-NRFANRHFSA-N 466.257 7.825 50 10 JKGE COc1ccccc1NC(=O)C(C#N)=C1S[C@@H](Cc2ccc(C)cc2)C(=O)N1c1ccc(C)c(C)c1 2314591847 GCJVPHQMAPLSBX-SANMLTNESA-N 497.620 5.685 50 10 JKGE COc1cc(C=C(C#N)c2ccc(Cl)cc2)ccc1OC(=O)COc1ccc(Br)cc1 2314720286 LDSFMFZEJPYDNR-UHFFFAOYSA-N 498.760 6.160 50 10 JKGE COc1cc(C=C(C#N)c2ccc(Cl)cc2)ccc1OC(=O)[C@H](C)Oc1ccc(Cl)cc1C 2314720636 VSEZGBYACZDXDH-KRWDZBQOSA-N 482.363 6.748 50 10 JKGE CC1([C@@H](Br)c2c(Cl)cc(Br)c(F)c2Br)CCCC1 2315459623 XUCFOEQYRQVSFC-LBPRGKRZSA-N 463.410 7.020 50 10 JKGE Cc1c(Br)sc([C@@H](Cl)c2c(Br)nc(C)n2C)c1Br 2315628384 AZZDOGSZGYCHOS-ZETCQYMHSA-N 477.447 5.714 50 10 JKGE Cc1nc(-c2ccc(Cl)c(Cl)c2)ccc1C(=O)NN=Cc1ccc(Br)cc1 2321248651 HMGWJBKOLFITHG-UHFFFAOYSA-N 463.162 5.890 50 10 JKGE Cc1nc(-c2ccc(Cl)c(Cl)c2)ccc1C(=O)NN=Cc1c(C)nc2scc(C)n12 2321248708 YOMSIHFMHZPKJA-UHFFFAOYSA-N 458.374 5.454 50 10 JKGE N#CC(=CNC1CCN(Cc2ccccc2)CC1)C(=O)Nc1ccccc1Sc1ccccc1 2325339635 VNKRMXWGBQAYMY-UHFFFAOYSA-N 468.626 5.438 50 10 JKGE FC(F)(F)[C@H]1C[C@@H]([C@@H](Br)c2ccc(Br)cc2Br)C1 2327683341 YXWGRHCEDBHDFY-PTZCXBDSSA-N 450.918 6.236 50 10 JKGE CCOc1ccc(OCC)c(-c2csc(C(C#N)=C(O)Cc3ccc(OC)cc3OC)n2)c1 2331375988 CSWIYXSHGQZZDQ-UHFFFAOYSA-N 466.559 5.660 50 10 JKGE COc1c(C)cc(Cl)cc1-c1csc(C(C#N)=C(O)c2cc([N+](=O)[O-])ccc2Cl)n1 2331393774 PXMBKXZSHHBPNU-UHFFFAOYSA-N 462.314 6.292 50 10 JKGE COc1ccc(Cl)cc1-c1csc(C(C#N)=C(O)[C@@H](C)Oc2ccc(Cl)cc2Cl)n1 2331411119 QHMSSEBLCFVEKE-LLVKDONJSA-N 481.788 7.039 50 10 JKGE CCOc1cc(C=C(C#N)c2nc(-c3cccc(Cl)c3)cs2)ccc1OCC(=O)N(CC)CC 2331440249 UGCUFHJXPBKPIL-UHFFFAOYSA-N 496.032 6.174 50 10 JKGE COc1cc(C=C(C#N)c2nc(-c3ccc(Oc4ccccc4)cc3)cs2)cc(OC)c1O 2331467436 QYEPVCWIQZSUGZ-UHFFFAOYSA-N 456.523 6.389 50 10 JKGE COc1c(Cl)cc(Cl)cc1-c1csc(C(C#N)=Cc2ccc(OCc3ccccc3)cc2)n1 2331467715 XRAHHEOAGDCDAW-UHFFFAOYSA-N 493.415 7.769 50 10 JKGE Fc1cc(Br)c(F)c(Br)c1[C@@H](Br)[C@@H]1C[C@@H]1C(F)(F)F 2334720084 PVAGFBCLGDBQSP-ZPLJKJSBSA-N 472.871 6.124 50 10 JKGE C[C@]1([C@@H](Br)c2c(Cl)cc(Br)c(F)c2Br)COCCO1 2337085604 ASCLXLOYPOFDDT-NWDGAFQWSA-N 481.381 5.246 50 10 JKGE Fc1c(Br)cc(Cl)c([C@@H](Br)[C@@H]2[C@H]3[C@H]4C[C@@H]2C[C@H]43)c1Br 2337106111 FFBCCWCTJAHZCO-FTASENKQSA-N 473.405 6.342 50 10 JKGE C[C@H](c1ccncc1Br)[C@@H](Cl)c1c(Br)c(Br)nn1C 2338707284 BCEIKAGHUQPGPF-LHLIQPBNSA-N 472.406 5.186 50 10 JKGE COc1ccc(Br)cc1[C@@H](Cl)c1c(Br)c(Br)nn1C 2338861417 RHVVQTCAQIVONN-SNVBAGLBSA-N 473.390 5.044 50 10 JKGE COc1c(Br)cc(C)c([C@H](Br)[C@H]2[C@H]3CCC[C@H]32)c1Br 2339675410 QUPIHYYRECGBHD-FQPOAREZSA-N 453.012 6.011 50 10 JKGE COc1c(Br)cc(C)c([C@H](Br)[C@H]2C[C@@H]2C(C)C)c1Br 2339679957 QUPOYXKSZCKIQJ-GBIKHYSHSA-N 455.028 6.257 50 10 JKGE Clc1ccc(CC[C@@H](Br)c2ccccc2Cl)c(I)c1 2341058652 FMFUTZOCBMKPOJ-CYBMUJFWSA-N 469.975 6.667 50 10 JKGE Fc1cc(Br)c(Br)cc1[C@@H](Br)[C@H]1CC[C@@H]2[C@H](C1)C2(F)F 2358562237 SJRBWZBLZDVHOD-DUWABBFASA-N 476.956 6.468 50 10 JKGE Fc1c(Br)cc(Cl)c([C@H](Cl)c2cscc2C(F)F)c1Br 2362227667 HVFJMUHWIGSWKW-SNVBAGLBSA-N 468.947 7.331 50 10 JKGE CCCCO[C@H]1[C@@H](OCc2cc(Br)cc(Br)c2)C[C@H]1Br 2362249008 FGFKWSMIPIMUNM-QLFBSQMISA-N 471.027 5.449 50 10 JKGE COc1c(Br)cc(C)c([C@H](Br)[C@H]2CCCC2(F)F)c1Br 2365230421 IULXNIDVADJVBV-LDYMZIIASA-N 476.981 6.400 50 10 JKGE COc1cc([C@H](Br)c2cc(Cl)c(Cl)c(Cl)c2Cl)sc1Cl 2365836007 MNRSBGKSANJOLT-MRVPVSSYSA-N 455.415 7.508 50 10 JKGE CCOc1ccc([C@@H](Br)c2cccc(Br)c2Br)c(F)c1 2367464784 MEYGBKNBRJGKRJ-CQSZACIVSA-N 466.970 6.234 50 10 JKGE CCOc1ccc([C@H](Br)c2cc(Cl)ccc2I)c(F)c1 2367481691 QNWRGNIMFIEBEC-HNNXBMFYSA-N 469.519 5.967 50 10 JKGE CC(C)C[C@H](CBr)CN1CC[C@H](C(F)(F)F)C[C@@H]1CNC(=O)OC(C)(C)C 2382177327 ISFMOHDBXIERPU-OWCLPIDISA-N 459.391 5.211 50 10 JKGE CC[C@H](C)c1ccccc1O[C@@H](C)C(=O)NNC(=O)COc1ccc(C(C)C)cc1Br 9873728 QFXVNJWXIWGDRR-IRXDYDNUSA-N 491.426 5.080 50 10 JKGE CCCCCCOc1ccc(Br)cc1C(=O)NNC(=O)c1ccc(Cl)cc1Cl 14648265 GDCQFFBQBDPQOV-UHFFFAOYSA-N 488.209 5.790 50 10 JKGE CCOc1cc(C=NNC(=O)c2cc3c(ccc4ccccc43)o2)cc(Br)c1OC 17167068 NBEUHRSUJGDURI-UHFFFAOYSA-N 467.319 5.520 50 10 JKGE CC(C)(C)c1ccc(COc2ccc(/C=N/NC(=O)CSc3nc4ccccc4[nH]3)cc2)cc1 32522841 QMBLJHFTBPSQMV-LQKURTRISA-N 472.614 5.682 50 10 JKGE COc1ccc([C@@H]2C(C#N)=C(n3cccc3)OC3=C2/C(=N\OCc2ccc(F)cc2)CCC3)cc1 33372274 TXMBKANUAASHAB-VQPJSCFASA-N 469.516 6.153 50 10 JKGE N#C/C(=C/c1ccc(OCc2ccc(C(=O)O)cc2)cc1)C(=O)Nc1cccc(C(F)(F)F)c1 33621403 YIZBNGWZGPOKEX-UNOMPAQXSA-N 466.415 5.528 50 10 JKGE Cc1ccc(COc2ccc(C(=O)N/N=C\c3ccccc3Oc3cc(C)cc(C)c3)cc2)cc1 33744630 NHFFNGWTYZUIDT-DXJNIWACSA-N 464.565 6.747 50 10 JKGE COc1ccc(/C(C#N)=C\c2ccc(-c3cccc4c3C(=O)c3ccccc3C4=O)o2)cc1OC 34688985 DUWBSGVVRGKOIN-JXAWBTAJSA-N 461.473 5.803 50 10 JKGE CCOc1ccc([C@@H]2CC(c3ccccc3)=NN2c2ccc(/C=N/NC(=O)c3ccncc3)cc2)cc1 34864513 VJLGECCEYYZFGA-AOYMVWLXSA-N 489.579 5.600 50 10 JKGE N#CC1=C(N)Oc2cc(OC(=O)c3ccc(Cl)cc3Cl)ccc2[C@H]1c1ccc(Cl)cc1 38651331 RFQKAYHJOULKHB-OAQYLSRUSA-N 471.727 6.084 50 10 JKGE O=C(CCCc1c(-c2ccc3ccccc3n2)[nH]c2ccccc12)NNC(=O)c1ccccc1[N+](=O)[O-] 39867145 RZYUYKTUTFKVAJ-UHFFFAOYSA-N 493.523 5.075 50 10 JKGE Cc1cccc(Oc2nc3c(C)cccn3c(=O)c2/C=C(\C#N)C(=O)Nc2ccc(C)c(C)c2)c1 39992904 LTNPAVXGEKQLBT-RCCKNPSSSA-N 464.525 5.266 50 10 JKGE Cc1c(C(=O)Nc2cccc(C(F)(F)F)c2)oc2c1/C(=N/NC(=O)c1ccccc1)CCC2 40804234 COIAOLKQDYJQSE-RDRPBHBLSA-N 455.436 5.330 50 10 JKGE CCCCOc1ccc(/C=N/NC(=O)CCCOc2ccc(CC)cc2Br)cc1 40959334 GLSMAFFNEUCGJY-KOEQRZSOSA-N 461.400 5.500 50 10 JKGE COc1ccc(NC(=O)/C(C#N)=C/c2ccc(-c3ccc(Br)c(C)c3C)o2)cc1 58832505 QTWBFTBNHLXIME-FOWTUZBSSA-N 451.320 5.880 50 10 JKGE CCOc1cc(/C=C(\C#N)C(=O)Nc2cccc(C)c2)ccc1OCc1c(Cl)cccc1Cl 59133411 MVIKXTOZHICAKW-CPNJWEJPSA-N 481.379 6.825 50 10 JKGE O=C(Cc1cccc2ccccc12)N/N=C1/C(=O)N(Cc2c(Cl)cccc2Cl)c2ccccc21 59156534 VBFCBAROVOCEQB-GKPLWNPISA-N 488.374 5.756 50 10 JKGE C=CCc1cccc(/C=N/NC(=O)c2cc(Br)ccc2OCc2ccccc2)c1O 96095875 LELYPRJYCLUTPN-CVKSISIWSA-N 465.347 5.226 50 10 JKGE Fc1cc(Br)ccc1C[C@H](CBr)Cc1ccc(Br)cc1 97183305 VBKWUPPBJYWHOI-GFCCVEGCSA-N 464.998 6.147 50 10 JKGE COc1ccc(-c2csc(/C(C#N)=C\Nc3ccc(I)cc3)n2)cc1 100341219 GUDBLVMUNVRZIK-KAMYIIQDSA-N 459.312 5.400 50 10 JKGE C=CCNC(=O)/C(C#N)=C1\S[C@@H](Cc2ccccc2Cl)C(=O)N1c1ccc(C(C)C)cc1 101241547 ZTMWXHQUYZJNAB-WTALZMIHSA-N 466.006 5.192 50 10 JKGE CCc1ccc(N2C(=O)[C@@H](Cc3ccc(F)cc3)S/C2=C(/C#N)C(=O)Nc2ccccc2)cc1 101244365 CVYJQAZJJHQZOG-NLTRVXJZSA-N 471.557 5.453 50 10 JKGE CC[C@@H](C)N1C(=O)C(C#N)=C(C)/C(=C\c2cn(-c3ccccc3)nc2-c2ccc3ccccc3c2)C1=O 101334095 YATSCLUURFMHHD-AYQSFACRSA-N 486.575 6.083 50 10 JKGE Fc1ccc([C@H](Br)c2cc(Br)ccc2Br)c(Cl)c1 109844984 WRDFGSHTRBKIBB-ZDUSSCGKSA-N 457.362 6.488 50 10 JKGE N#C/C(=C(\O)c1ccc(-c2cccc(C(F)(F)F)c2)o1)c1nc(-c2ccc(F)cc2)cs1 110516114 NLIRHBVJYRQKBV-HEHNFIMWSA-N 456.420 7.178 50 10 JKGE COc1cc([C@H](Cl)c2ccc(Br)c(Cl)c2)c(OC)cc1Br 134286956 YMBFAYIREUNIEY-OAHLLOKOSA-N 454.973 6.210 50 10 JKGE FC(F)(F)c1ccc(Br)c([C@H](Br)c2cc(Cl)ccc2Cl)c1 159841197 LJCAVUGYUXESIY-ZDUSSCGKSA-N 462.918 7.259 50 10 JKGE Clc1ccc(CO[C@@H](CI)c2cccc(Br)c2)cc1 162446925 JVKFYXAAOWGKMU-HNNXBMFYSA-N 451.529 5.795 50 10 JKGE Brc1ccc(CO[C@H](CI)c2cccc(Br)c2)cc1 162532966 DZZADGWPEUBYLG-OAHLLOKOSA-N 495.980 5.905 50 10 JKGE CCCCCCN1C(=O)C(C#N)=C(C)/C(=C/c2ccc(OCc3ccccc3F)c(OC)c2)C1=O 214246788 RHRNYESTICJOKS-JCMHNJIXSA-N 476.548 5.586 50 10 JKGE CCOc1ccc([C@@H](Cl)c2cc(Br)sc2Br)c(Br)c1 233796325 DIPDRPKPFNRQAQ-GFCCVEGCSA-N 489.454 6.763 50 10 JKGE Cc1cc(F)cc(C)c1[C@H](Cl)c1cc(I)ccc1Br 235790588 RJSGROAZLBECBJ-OAHLLOKOSA-N 453.520 6.138 50 10 JKGE CC12C[C@@H]3C[C@H](C1)CC([C@H](Br)c1cc(Br)sc1Br)(C3)C2 252796831 HPQGGVWENSJBAL-DAAWTKGESA-N 483.107 7.316 50 10 JKGE CC1(C)[C@@H](c2nc3ccccc3[nH]2)CC[C@@]1(C)C(=O)NN=Cc1ccc(Br)cc1 254825526 KOYLXBQSRCOEFD-HXOBKFHXSA-N 453.384 5.386 50 10 JKGE CC(C)(C)c1ccc(OCC(=O)NN=Cc2ccc(N(c3ccccc3)c3ccccc3)cc2)cc1 254881170 GJQOYAWGJQQXCK-UHFFFAOYSA-N 477.608 6.983 50 10 JKGE C[C@@H]1[C@@H](n2c(CCl)nc3cc(I)c(F)cc32)CCN1Cc1ccccc1 311594714 DXMPOPZGDACGFQ-ACJLOTCBSA-N 483.756 5.354 50 10 JKGE Brc1cc2c(c([C@H](Br)c3ccoc3Br)c1)OCCC2 688372403 VICVGUNUMUAHDM-GFCCVEGCSA-N 450.952 5.614 50 10 JKGE Cn1cc([C@@H](Br)c2cc(Br)c(Br)s2)nc1Br 698421107 XHVLOADYHPIQGQ-SSDOTTSWSA-N 493.844 5.253 50 10 JKGE C[C@H]1CCN(Cc2ccccc2)C[C@H]1n1c(CCCl)nc2cc(I)ccc21 716298579 HOYCTCAUBCZNLL-HRAATJIYSA-N 493.820 5.505 50 10 JKGE COc1cc(/C=C\C(=O)Cl)cc(I)c1OCc1cccc2ccccc12 1081478606 QTLDOOMCFSKASR-KTKRTIGZSA-N 478.713 5.811 50 10 JKGE CCCCCOc1ccccc1C(=O)NN=C1C(=O)N(C/C=C/c2ccccc2)c2ccccc21 1084164253 AYSABEBNVNKYBX-OJKAROERSA-N 467.569 5.450 50 10 JKGE O=C(CC[C@H](O)c1ccccc1)NN=Cc1ccccc1OCc1ccc(Cl)cc1Cl 1084586692 PIBXDHANVJYLCB-QFIPXVFZSA-N 457.357 5.536 50 10 JKGE 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 1615811135 FPFAZZFTBDKRJL-FFERWXEQSA-N 496.688 6.212 50 10 JKGE Cc1c(C(=O)Nc2ccccc2Cl)oc2c1C(=NNC(=O)c1ccccc1Cl)CCC2 1772743719 GGICEVBEMCNYGV-UHFFFAOYSA-N 456.329 5.618 50 10 JKGE Cc1c(C(=O)Nc2ccc(F)cc2F)oc2c1C(=NNC(=O)c1ccc(Cl)cc1)CCC2 1772744221 UZEYWEIDAUVWCK-UHFFFAOYSA-N 457.864 5.242 50 10 JKGE COc1cccc(C(=O)NN=C2CCCc3oc(C(=O)N4c5ccc(F)cc5CC[C@H]4C)c(C)c32)c1 1772749411 KTJBTMAJGTXLHJ-MRXNPFEDSA-N 489.547 5.188 50 10 JKGE CC(C)(C)c1cc(Br)ccc1OCC(=O)NN=Cc1ccccc1OCc1ccccc1 1772754423 VJDBABVRSPIOSI-UHFFFAOYSA-N 495.417 5.855 50 10 JKGE Cc1cc(OCC(=O)NN=Cc2ccc(Cl)cc2Cl)c(Br)c(C)c1Cl 1772756497 CZLOTGBXPOWBCG-UHFFFAOYSA-N 464.574 5.555 50 10 JKGE CC(C)(C)c1ccc(C(=O)NCc2ccc(OC(=O)Nc3ccc(SC#N)cc3)cc2)cc1 1858898130 IQPISVHTHHPYJS-UHFFFAOYSA-N 459.571 6.098 50 10 JKGE CCCc1nn(Cc2ccc(Cl)c(Cl)c2)c2c1[C@H](c1cccc(Cl)c1)C(C#N)=C(N)O2 1865683101 FYNJQYWAAWDNSK-HXUWFJFHSA-N 473.791 6.062 50 10 JKGE COc1ccc(-c2nn(-c3cccc(Cl)c3)c3c2[C@@H](c2ccc(N(C)C)cc2)C(C#N)=C(N)O3)cc1 1865683948 RBMIOJALLCCKEM-DEOSSOPVSA-N 497.986 5.485 50 10 JKGE N#CC1=C(N)Oc2c(c(-c3ccccc3)nn2Cc2ccc(F)cc2)[C@@H]1c1ccccc1Cl 1865685044 CSRATHJGVWFWRM-JOCHJYFZSA-N 456.908 5.609 50 10 JKGE COc1ccc([C@@H]2C(C#N)=C(N)Oc3c2c(-c2ccccc2)nn3-c2ccc(Cl)cc2)c(OC)c1 1865707716 DKNFVSMHILGZEI-HSZRJFAPSA-N 484.943 5.428 50 10 JKGE CCc1nn(-c2cccc(Cl)c2)c2c1[C@H](c1cccc(OCc3ccccc3)c1)C(C#N)=C(N)O2 1865711666 FBAIEWZTAMVFEQ-RUZDIDTESA-N 482.971 5.885 50 10 JKGE CCOC(=O)c1c(-c2ccc(OC)cc2)csc1NC(=O)/C(C#N)=C/c1ccc(F)cc1 1866127952 OKHRWODLBITROY-SFQUDFHCSA-N 450.491 5.285 50 10 JKGE CCC[C@H](NC(=O)c1cc(C2CC2)n2nc(C(C)(C)C)cc2n1)C(=O)Nc1ccc(SC#N)cc1 1867186828 NVZIJEWBQDRAEB-IBGZPJMESA-N 490.633 5.015 50 10 JKGE N#CSc1ccc(Nc2cc(N3CCC[C@H](Oc4ccccc4)C3)nc(-c3cccnc3)n2)cc1 1868565848 OKTJOKRJTRFEGY-QHCPKHFHSA-N 480.597 5.903 50 10 JKGE Cc1c(OCc2ccc(CCl)cc2)ccc2c1O/C(=C\c1c(Cl)cccc1Cl)C2=O 1871436703 LZHHDXWLLFTCKV-JJFYIABZSA-N 459.756 7.236 50 10 JKGE COc1c(Cl)ccc(Cl)c1/C(O)=C(\C#N)c1nc(-c2ccc(Br)cc2)cs1 1872746615 PVVBRFTZRQLDMX-ATVHPVEESA-N 482.186 6.838 50 10 JKGE CCCOc1ccc(-c2csc(/C(C#N)=C(O)/C=C/c3cc(OC)c(OC)c(OC)c3)n2)cc1 1872749563 XIWPDTCDHQQQFQ-MHFPYWRNSA-N 478.570 6.131 50 10 JKGE COc1cc(C)c(-c2csc(/C(C#N)=C(\O)c3c(Cl)ccc(Cl)c3OC)n2)cc1C(C)C 1872753751 LFTXHQFDOHXDBV-JWGURIENSA-N 489.424 7.516 50 10 JKGE COc1c(C)cc(C)cc1-c1csc(/C(C#N)=C(\O)c2ccccc2I)n1 1872754844 LRYRAOKSWZZODZ-MNDPQUGUSA-N 488.350 5.990 50 10 JKGE COc1cc(OC)c(-c2csc(/C(C#N)=C(\O)c3ccc(N(C)C)c([N+](=O)[O-])c3)n2)cc1Cl 1872756308 HFWOLRAQLOHZAS-STZFKDTASA-N 486.937 5.405 50 10 JKGE COc1ccc(OC/C(O)=C(\C#N)c2nc(-c3c(C)cc(C)cc3C)cs2)c(C(C)(C)C)c1 1872757286 YNSNROUKHQBUSO-ATJXCDBQSA-N 462.615 6.913 50 10 JKGE CCCOc1ccc(-c2csc(/C(C#N)=C/c3cc(OC)c(OC)cc3OC)n2)cc1OCCC 1872790249 UXFFIDWPAWBPKN-UDWIEESQSA-N 494.613 6.478 50 10 JKGE COc1ccc(OC)c(-c2csc(/C(C#N)=C(\O)[C@H]3CC(=O)N([C@@H](C)c4ccccc4)C3)n2)c1 1873920490 GTZLGSHUZNMJBD-HLCBBXJTSA-N 475.570 5.230 50 10 JKGE Cc1c(F)cc(CBr)cc1S(=O)(=O)N(Cc1ccccc1)Cc1ccccc1 1885383560 XHHXJDBYYCJIAZ-UHFFFAOYSA-N 462.384 5.420 50 10 JKGE FC(F)[C@@H]1C[C@H]1[C@H](Cl)c1c(Br)sc(Br)c1Br 1894336971 KSFSMHGTNLJPII-SAMGZKJBSA-N 459.375 6.217 50 10 JKGE CC(C)[C@@H]1C[C@H]1[C@H](Br)c1c(Br)sc(Br)c1Br 1897481653 GMEBJGQAHIKNGS-BBVRLYRLSA-N 495.900 6.764 50 10 JKGE C[C@@H](Br)CN(Cc1ccccc1)Cc1c(Br)cccc1Br 1914614511 WUQAEWAHBSUOMG-CYBMUJFWSA-N 476.050 5.997 50 10 JKGE C[C@@H](CCBr)N(Cc1ccccc1)Cc1cc(Br)cc2c1OCC2 1915116707 XMTIXPYMNLAIKY-HNNXBMFYSA-N 453.218 5.560 50 10 JKGE COc1ccc(CN(Cc2ccccc2)[C@H](CBr)C(C)C)cc1Br 1915272373 XEZZSHPQQIFLPA-LJQANCHMSA-N 455.234 5.879 50 10 JKGE Brc1cc(Br)c([C@H](Br)[C@H]2CCOc3ccccc32)s1 1922955040 VNAYPTXWZNHPAH-TVQRCGJNSA-N 467.020 6.275 50 10 JKGE O=C(c1cccc(Br)c1Br)N(CCBr)Cc1ccccc1 1929582486 LUUTUMXNFCFIKO-UHFFFAOYSA-N 476.006 5.249 50 10 JKGE CN(c1cc(Br)ccc1CBr)[C@@H]1CN(Cc2ccccc2)C(C)(C)C1 2037332007 NEGGGQFUWVKBNL-IBGZPJMESA-N 466.261 5.833 50 10 JKGE Cc1cc(Br)sc1[C@H](Br)c1c(F)cc(Br)cc1F 2038505069 AUYJOGYXCXAWAM-LLVKDONJSA-N 460.963 6.344 50 10 JKGE CC(C)[C@H](C)N(Cc1ccccc1)S(=O)(=O)c1ccc(CBr)cc1Br 2059313406 YERMZGPRYKQXTP-HNNXBMFYSA-N 489.273 5.579 50 10 JKGE CC1(C)CN(c2ccc(Br)cc2CBr)CCCN1Cc1ccccc1 2073436786 IGPZNAYPJYWBDN-UHFFFAOYSA-N 466.261 5.835 50 10 JKGE Cc1sc(Br)c([C@H](Cl)c2cc(I)ccc2F)c1C 2082876541 PVMVRBPTIDICFS-GFCCVEGCSA-N 459.549 6.199 50 10 JKGE Cc1c(Br)ccc([C@H](Cl)c2cccc(OCc3ccccc3)c2)c1Br 2083329856 IIIKSYWISZWAGP-OAQYLSRUSA-N 480.627 7.427 50 10 JKGE Fc1ccccc1[C@H](CBr)Cc1ccc(Br)cc1Br 2092259865 BIRBMYOTNJYSBH-NSHDSACASA-N 450.971 6.072 50 10 JKGE Clc1cc([C@@H](Br)c2cc(Cl)c(Cl)c(Cl)c2Cl)sc1Cl 2099843349 OTYWLQLAQXDOQV-ZETCQYMHSA-N 459.834 8.153 50 10 JKGE CCc1nsc(COc2c(Br)cc(Br)cc2CBr)n1 2102672254 KQGUKOYYLBHQCR-UHFFFAOYSA-N 471.012 5.099 50 10 JKGE C[C@@H](Cl)c1nc2cc(Br)c(Cl)cc2n1-c1cnn(Cc2ccccc2)c1 2103814672 GHMALPLLQPHHBP-GFCCVEGCSA-N 450.167 5.986 50 10 JKGE F[C@@H](CBr)C1CCN(Cc2cccc(Br)c2Br)CC1 2106953438 YHSGPPMLTVYUHE-ZDUSSCGKSA-N 458.007 5.157 50 10 JKGE Cc1cc(Br)c([C@H](Br)[C@@H]2CCCC23CCC3)cc1Br 2116995282 LUGUEJFWFLXOTE-WFASDCNBSA-N 451.040 6.926 50 10 JKGE Brc1ccc(Br)c(CN2C[C@@H](Br)C3(CCCC3)C2)c1 2118521314 DCBLLRUOEBQWLO-CQSZACIVSA-N 452.028 5.351 50 10 JKGE CCC[C@H]1CC[C@H]([C@@H](Br)c2ccc(Br)cc2Br)CC1 2138875886 KGKGRONRUAGUOG-XHBSWPGZSA-N 453.056 7.254 50 10 JKGE Cc1c(F)ccc([C@H](Cl)c2ccc(I)c(Br)c2)c1C 2138908282 DZECMJUHIQXMCM-OAHLLOKOSA-N 453.520 6.138 50 10 JKGE FC1CCC(CC(CBr)(CBr)c2ccccc2Br)CC1 2149422548 UWVAYPLDSTZLII-UHFFFAOYSA-N 471.046 6.395 50 10 JKGE Cc1cc(Br)c([C@H](Br)[C@@H]2CCCCCC2(F)F)cc1Br 2164922377 BHWDIZYBMFDZEE-FZMZJTMJSA-N 475.009 7.172 50 10 JKGE ClCc1ccc(Br)c(Cl)c1N1[C@H]2CCC[C@H]1CN(Cc1ccccc1)CC2 2166626883 OMYVISNWNLBNQZ-OALUTQOASA-N 468.266 6.475 50 10 JKGE BrCc1cc(Br)c(OC[C@H]2CCCC3(CC3)C2)c(Br)c1 2168926912 AUDXHGWUJUNNQK-NSHDSACASA-N 467.039 6.456 50 10 JKGE CCCCCc1ccc([C@H](Br)c2cccc(Br)c2Br)s1 2197262512 YWGRLRHESDETJO-MRXNPFEDSA-N 481.091 7.490 50 10 JKGE Clc1ccc(Br)c(CO[C@@H](CBr)c2ccc(Br)cc2)c1 2200749580 DGFMAZLJRKUUHD-HNNXBMFYSA-N 483.425 6.518 50 10 JKGE Cc1cc(Br)c(C)c([C@H](Br)[C@H](C)c2ccccc2)c1Br 2201070777 CIGRYUFNQKIUEO-PIGZYNQJSA-N 461.035 7.068 50 10 JKGE O=S1(=O)C[C@@H]2CCC[C@@]2([C@H](Cl)c2c(Br)sc(Br)c2Cl)C1 2201876256 KCPRKUKFTMRIRE-PNLAZUSQSA-N 483.074 5.421 50 10 JKGE COc1cc(Cl)c([C@H](Br)c2ccc(Br)c(C)c2)cc1Br 2202354006 VHNDZNLVDHAEFW-OAHLLOKOSA-N 483.425 6.666 50 10 JKGE Cc1c(Br)ccc([C@H](Br)C(F)(F)C2CCCCC2)c1Br 2203687692 QVPQHHYBGSRRRG-AWEZNQCLSA-N 475.009 7.172 50 10 JKGE COc1c(Br)cc(C)cc1[C@H](Br)c1c(Cl)cccc1Br 2203813172 RZAINYGTDASLCJ-AWEZNQCLSA-N 483.425 6.666 50 10 JKGE Cc1cc([C@@H](Cl)c2cc(Br)c(Br)cc2F)sc1Br 2218595935 BXOJSXJFFYBWGQ-NSHDSACASA-N 477.418 6.811 50 10 JKGE Cc1cc(Br)c([C@@H](Br)c2scc(C)c2C)cc1Br 2218832098 RQXNNZWBVYBYTP-CYBMUJFWSA-N 453.037 6.683 50 10 JKGE CC1(C)CCC[C@@](CBr)(Cc2cc(Cl)ccc2I)O1 2226862377 CWSWDUBFEDDOKV-HNNXBMFYSA-N 457.577 5.600 50 10 JKGE Cc1cccc(C(CBr)(CBr)Cc2nscc2Br)c1 2227092397 PULMLBVQXRNWDA-UHFFFAOYSA-N 468.052 5.484 50 10 JKGE Cc1cc(Br)c([C@H](Br)[C@H]2CCC(C)(C)C2)c(C)c1Br 2227370009 OXEQILQEASSBQQ-XHDPSFHLSA-N 453.056 7.091 50 10 JKGE CCOCc1cc(Br)c([C@H](Cl)c2ccc(C)c(I)c2)s1 2233036398 VQXUPALUXGMJCM-CQSZACIVSA-N 485.612 6.288 50 10 JKGE COc1ccc([C@@H](Br)c2cc(C)c(Br)c(C)c2)cc1Br 2235678357 MDNVTPKWVPDBJH-MRXNPFEDSA-N 463.007 6.321 50 10 JKGE Cc1sc([C@H](Cl)c2c(F)cccc2I)c(C)c1Br 2255903543 YEYMVEZSXJYDAK-GFCCVEGCSA-N 459.549 6.199 50 10 JKGE CCc1cc([C@@H](Br)c2ccc(F)cc2Br)sc1Br 2256059144 VJFMBWTUGDGKHN-LBPRGKRZSA-N 457.000 6.459 50 10 JKGE BrC[C@@H](C1CC1)N(Cc1ccccc1)c1ccnc2ccc(Br)cc12 2257586022 WQUJDPMEDMWUNR-NRFANRHFSA-N 460.213 6.177 50 10 JKGE C[C@H](c1ccncc1Br)[C@H](Cl)c1c(F)cccc1I 2267657241 ZYMQMDZLFXRSCH-CLAHSXSESA-N 454.508 5.671 50 10 JKGE Cl[C@@H](c1ccc(I)c(Br)c1)c1ccc(C2CCC2)s1 2271973464 UAAZYKQKEAUBKZ-HNNXBMFYSA-N 467.597 6.711 50 10 JKGE Cc1cc(Cl)cc([C@@H](Br)Cc2cc(Br)cc(Br)c2)c1 2277961841 YVIQBBQAZRPYCU-HNNXBMFYSA-N 467.426 6.852 50 10 JKGE COc1c(Br)cc(Cl)cc1[C@H](Br)c1cc(C)sc1Br 2277974082 FXVNRCKYEKMOSN-NSHDSACASA-N 489.454 6.728 50 10 JKGE COc1cc(C)c(Br)c(C)c1[C@@H](Br)c1cc(Br)sc1C 2285063709 ITODMUUXXCCBTO-HNNXBMFYSA-N 483.063 6.691 50 10 JKGE CC1(C)CCC[C@]12[C@@H](Br)C[C@H]2Oc1cc(I)ccc1Cl 2288256002 LAOQNBUJFVLYJN-SQWLQELKSA-N 469.588 6.056 50 10 JKGE Cc1ccc(Br)c([C@H](Cl)c2c(F)cc(Br)c(F)c2Br)c1 2288351319 DCAQRBFKRYKRBM-ZDUSSCGKSA-N 489.379 6.889 50 10 JKGE Cc1c(Br)ccc([C@@H](Br)Cc2ccc(Cl)c(F)c2)c1Br 2295290025 OKJMVEURMLOKGK-LBPRGKRZSA-N 485.416 6.991 50 10 JKGE Cc1cc(C)c(NC(=O)C(C#N)=Cc2ccc(OCc3cccc(C(F)(F)F)c3)cc2)c(C)c1 2295672361 PUHVGZUWVMPVGS-UHFFFAOYSA-N 464.487 6.755 50 10 JKGE Cc1ccc(NC=C(C#N)c2nc(-c3ccc(CC(C)C)cc3)cs2)c(Br)c1 2295945710 WEHSLHHUOHNVQD-UHFFFAOYSA-N 452.421 7.056 50 10 JKGE CN(Cc1c(Br)cccc1Br)[C@H](CBr)c1ccccc1 2296478112 QOBIWHLGWMUBQQ-MRXNPFEDSA-N 462.023 5.780 50 10 JKGE CC(C)CCOc1ccc(-c2nn(-c3ccccc3)cc2C=C(C#N)c2nc3ccccc3s2)cc1 2296539184 ICWNCRXQWYBBPW-UHFFFAOYSA-N 490.632 7.638 50 10 JKGE N#CC(=Cc1cn(-c2ccccc2)nc1-c1cc2ccccc2o1)S(=O)(=O)c1ccc(Cl)cc1 2296718431 BXWCMVWRTHUZLT-UHFFFAOYSA-N 485.952 6.277 50 10 JKGE N#CC(=CNc1cc(C(F)(F)F)cc(C(F)(F)F)c1)C(=O)c1ccc(OC(F)(F)F)cc1 2297564246 MSFJPHHRHKWXJM-UHFFFAOYSA-N 468.275 6.325 50 10 JKGE CCCOc1ccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)C=Cc4ccccc4)ccc32)cc1OC 2297679815 LECBGRUUYNGLGZ-NDEPHWFRSA-N 482.536 5.321 50 10 JKGE CC1(C)COC[C@@H]1[C@H](Br)c1c(Br)sc(Br)c1Cl 2299623658 FPNGBCCRPIZXJC-VDTYLAMSSA-N 467.448 6.035 50 10 JKGE COc1cc(C=C(C#N)c2ccc([N+](=O)[O-])cc2)cc(Cl)c1OCc1ccccc1Cl 2313541192 ZZONUXWIWGYELX-UHFFFAOYSA-N 455.297 6.553 50 10 JKGE Fc1cc(Cl)c(Br)c(Cl)c1[C@H](Br)c1csnc1Br 2313744252 OCUOIYSQBZURSF-SSDOTTSWSA-N 498.824 6.598 50 10 JKGE N#CC(=Cc1ccc(-c2ccc(Br)cc2)o1)c1nc(O)c2c3c(sc2n1)CCCC3 2314457097 ZWGASRVXMVXCCN-UHFFFAOYSA-N 478.371 6.362 50 10 JKGE Brc1cc(OCc2ccccc2)ccc1[C@H](Br)CCC1CCCCC1 2314499710 GCJFOWRDAOIPDP-OAQYLSRUSA-N 466.257 7.825 50 10 JKGE CCn1ncc(Br)c1[C@@H](Cl)c1ccc(OCc2ccccc2)cc1Br 2314503192 PSWAAIYKIVQVFO-SFHVURJKSA-N 484.619 6.335 50 10 JKGE Cc1cc(C)cc(Oc2nc3ccccn3c(=O)c2C=C(C#N)C(=O)Nc2cccc(Cl)c2)c1 2314534133 ZFRRMKPIDQDQPA-UHFFFAOYSA-N 470.916 5.303 50 10 JKGE N#CC(=Cc1ccc(-c2ccc([N+](=O)[O-])cc2Cl)o1)C(=O)Nc1ccccc1C(F)(F)F 2314571520 GMXJFIADLPWKPJ-UHFFFAOYSA-N 461.783 6.073 50 10 JKGE CC1=C(C#N)C(=O)N(Cc2ccccc2Cl)C(=O)C1=Cc1ccc(-c2cccc(Cl)c2)o1 2314620577 RHJMVMBEVINYJD-UHFFFAOYSA-N 463.320 6.046 50 10 JKGE Cn1ncc2cc([C@H](Br)c3sc(Cl)cc3I)sc21 2316766615 HXSHGWZTTLXDEL-VIFPVBQESA-N 473.586 5.439 50 10 JKGE COc1cc(C=C(C#N)c2nc(O)c3ccccc3n2)cc(Br)c1OCc1ccccc1 2331030074 POASSQISNLIIPB-UHFFFAOYSA-N 488.341 5.750 50 10 JKGE CC(C)OC(=O)c1ccc(C(C#N)=Cc2ccc(OCc3ccc(Br)cc3)cc2)o1 2331049762 QMPBKPVPOVNOKP-UHFFFAOYSA-N 466.331 6.250 50 10 JKGE CCCCc1ccc(-c2csc(C(C#N)=C(O)CCc3nc4ccccc4[nH]c3=O)n2)cc1 2331256749 XJQTZKOQKVKDAV-UHFFFAOYSA-N 456.571 5.815 50 10 JKGE COc1ccc(-c2csc(C(C#N)=C(O)C=Cc3ccc(OCc4ccccc4)cc3)n2)cc1C 2331259853 KUZNKNNBPIADIB-UHFFFAOYSA-N 480.589 7.212 50 10 JKGE N#CC(=C(O)c1ccc2c(c1)C(=O)N(Cc1ccco1)C2=O)c1nc(-c2ccc(F)cc2F)cs1 2331293082 OSLQDWQWKFNHOA-UHFFFAOYSA-N 489.459 5.427 50 10 JKGE CCCOc1ccc(-c2csc(C(C#N)=C(O)[C@@H]3CC(=O)N(C(C)(C)C)C3)n2)cc1OCCC 2331293360 AOAASCZENXGIPD-GOSISDBHSA-N 483.634 5.827 50 10 JKGE CCCOc1ccc(-c2csc(C(C#N)=C(O)Cc3ccc(Br)cc3)n2)cc1 2331315915 HIZKWWAMBAZTIM-UHFFFAOYSA-N 455.377 6.397 50 10 JKGE N#CC(=C(O)COc1ccc(Cl)cc1Cl)c1nc(-c2cccc3ccccc23)cs1 2331339349 AIYGNOIVUAEVBX-UHFFFAOYSA-N 453.350 7.142 50 10 JKGE CC[C@@H](C)[C@H](C(O)=C(C#N)c1nc(-c2ccc(F)c(F)c2)cs1)N1C(=O)c2ccccc2C1=O 2331352410 SDSDXENRFPMQCB-LRTDBIEQSA-N 479.508 5.592 50 10 JKGE COc1cc(C)c(-c2csc(C(C#N)=C(O)[C@H](C)N3C(=O)c4ccccc4C3=O)n2)cc1C(C)C 2331353849 CWMVBXTXRIKEOZ-INIZCTEOSA-N 487.581 5.728 50 10 JKGE COc1cc(OC)c(-c2csc(C(C#N)=C(O)C=Cc3ccc(C(C)(C)C)cc3)n2)cc1Cl 2331378720 UWHVCEYDHFZWHI-UHFFFAOYSA-N 481.017 7.284 50 10 JKGE COc1cc(Cl)c(C)cc1-c1csc(C(C#N)=C(O)[C@@H]2CC(=O)N([C@@H](C)c3ccccc3)C2)n1 2331390431 LCTMCTCGEITOHK-FUHWJXTLSA-N 494.016 6.183 50 10 JKGE Cc1ccc(C(C)(C)C)cc1-c1csc(C(C#N)=C(O)C(=Cc2ccccc2)c2ccccc2)n1 2331396318 LLSIIUVZUVFMCB-UHFFFAOYSA-N 476.645 8.450 50 10 JKGE COc1c(Cl)cc(-c2csc(C(C#N)=C(O)c3ccc(N(C)C)c([N+](=O)[O-])c3)n2)cc1Cl 2331398039 XCEDEEOFNCUXGN-UHFFFAOYSA-N 491.356 6.050 50 10 JKGE CCOc1ccc(-c2csc(C(C#N)=Cc3ccc(OCc4ccc(C)cc4)c(OCC)c3)n2)cc1 2331440470 WXPUOYQYYUUIDB-UHFFFAOYSA-N 496.632 7.559 50 10 JKGE CCCCOc1ccc(C=C(C#N)c2nc(-c3ccc(Oc4ccccc4)cc3)cs2)cc1 2331464351 DFYWDGIIXKMQNY-UHFFFAOYSA-N 452.579 7.845 50 10 JKGE CCO[C@@H]1C[C@H]1[C@H](Br)c1c(C)cc(Br)c(OC)c1Br 2339652793 CGUIHLFRYFXHEB-UISBYWKRSA-N 457.000 5.390 50 10 JKGE Cc1cc(OCc2ccc(I)c(Br)c2)ccc1CBr 2349807517 NJIJUIQUJYFAPM-UHFFFAOYSA-N 495.980 5.836 50 10 JKGE CCc1sc(Br)cc1[C@H](Br)Cc1ccc(OC)cc1Br 2364261370 PHHBIYOAXBECBN-CYBMUJFWSA-N 483.063 6.523 50 10 JKGE CC[C@@H]1OCC[C@@H]1[C@@H](Br)c1c(C)cc(Br)c(OC)c1Br 2365187920 FWVXRLCEPFTYPS-XHVZSJERSA-N 471.027 5.780 50 10 JKGE COc1c(Br)cc(C)c([C@@H](Br)C2(C)CC(C)(C)C2)c1Br 2365234774 KCPILCPCAPXEBL-CQSZACIVSA-N 469.055 6.791 50 10 JKGE CC(C)(C)c1ccc([C@@H](Br)c2ccc(Cl)cc2I)cc1 2365596999 CIXFGMGODZLHIZ-MRXNPFEDSA-N 463.584 6.726 50 10 JKGE CC1(C)CC(CBr)(CN2CCCCN(C(=O)OC(C)(C)C)CC(F)(F)C2)C1 2371132712 FQXZZRXSGWHZDU-UHFFFAOYSA-N 453.412 5.156 50 10 JKGE CC(C)(C)[C@@H]1CC[C@H](Cl)[C@H](Cc2ccc(I)c(Br)c2)C1 2377293396 YXQOFLSZVJELPH-NFAWXSAZSA-N 469.632 6.666 50 10 JKGE N#CC(C(=O)NCc1ccccc1Cl)=C(SCc1ccccc1)SCc1ccccc1 3059070 ZANYCIJPDAZHOF-UHFFFAOYSA-N 465.043 6.558 50 10 JKGE Cc1cc(OCC(=O)NNC(=O)N2c3ccccc3Sc3ccccc32)cc(C)c1Cl 13988793 FWHXUXOLVAZCBA-UHFFFAOYSA-N 453.951 5.379 50 10 JKGE CC[C@H](Oc1ccc(-c2ccccc2)cc1)C(=O)NNC(=O)COc1ccccc1-c1ccccc1 14768295 HIFSAQYFMYHCQC-MHZLTWQESA-N 480.564 5.404 50 10 JKGE Cc1cccn2c(=O)c(/C=C(\C#N)c3nc4ccccc4s3)c(Oc3ccccc3Cl)nc12 33583985 MNBZVRCTTRDOOR-DTQAZKPQSA-N 470.941 6.123 50 10 JKGE COc1cc(/C=C2\C(C)=C(C#N)c3nc(N)c(C#N)c(C)c32)ccc1OCc1cccc([N+](=O)[O-])c1 33777702 HJBJFSBMIZTUQV-KEBDBYFISA-N 479.496 5.191 50 10 JKGE N#C/C(=C/c1ccc(OCC(=O)Nc2cccc(Cl)c2)cc1)c1nc(O)c2ccccc2n1 34988288 CXWQLHAMZVWTTQ-ATVHPVEESA-N 456.889 5.070 50 10 JKGE COc1cccc(-c2nn(-c3ccccc3)cc2/C=C(/C#N)S(=O)(=O)c2ccc(Cl)cc2)c1 35446364 AXLDQBFSPXVTPP-IWIPYMOSSA-N 475.957 5.540 50 10 JKGE O=C(NNC(=O)C(c1ccccc1)c1ccccc1)c1ccnc(C23CC4CC(CC(C4)C2)C3)c1 35553593 VOGXMEFTOKWWGZ-UHFFFAOYSA-N 465.597 5.143 50 10 JKGE Cc1cccc(C2(c3cccc(C)c3)C[C@@H]2C(=O)N/N=C/[C@@H]2[C@H](c3ccccc3)C2(Cl)Cl)c1 36062124 MZZOVQMBULGBAO-PWUAQAMNSA-N 477.435 6.299 50 10 JKGE N#CC1=C(N)Oc2cc(OC(=O)c3ccc(Cl)cc3Cl)ccc2[C@@H]1c1ccc([N+](=O)[O-])cc1 38654615 BWVJFXXCWVUDPL-NRFANRHFSA-N 482.279 5.339 50 10 JKGE N#CC1=C(N)Oc2cc(OC(=O)COc3cccc(Cl)c3)ccc2[C@@H]1c1c(F)cccc1Cl 38680746 ONDPAFAPSJYXHP-QFIPXVFZSA-N 485.298 5.335 50 10 JKGE Cc1ccc2c(Cl)c(C(=O)Oc3ccc4c(c3)OC(N)=C(C#N)[C@H]4c3ccco3)sc2c1 38688474 DNQZWISXJHPYBR-FQEVSTJZSA-N 462.914 5.894 50 10 JKGE CCN(C(=O)c1oc2c(c1C)/C(=N/NC(=O)Cc1coc3c(C)c(C)ccc13)CCC2)c1ccccc1 40826754 PLVHOHNBPNSBIC-QFMPWRQOSA-N 497.595 6.017 50 10 JKGE CCCCCOc1ccc(/C=N/NC(=O)COc2ccc(Br)cc2C(C)C)cc1OC 40950992 WBRRZIDOSCGQLB-CVKSISIWSA-N 491.426 5.679 50 10 JKGE N#C/C(=C\c1cc(Br)ccc1OCc1ccccc1Cl)C(=O)Nc1ccccc1F 59117145 SWGYNKDSBVMTHC-GZTJUZNOSA-N 485.740 6.366 50 10 JKGE CCOc1cc(/C=N/NC(=O)c2cc3ccccc3o2)ccc1OCc1cccc2ccccc12 59304775 AWKHOJNBRCQAOF-UXHLAJHPSA-N 464.521 6.328 50 10 JKGE Cc1cccc(NC(=O)/C(C#N)=C/c2cc(Br)cc(Br)c2O)c1C 59474959 IABWXBRTKJWQOS-AWNIVKPZSA-N 450.130 5.080 50 10 JKGE COc1ccc(CCN2C(=O)C(C#N)=C(C)/C(=C\Nc3ccc(-c4ccccc4)cc3)C2=O)cc1OC 101233314 NHWUEUHCYULWEC-LGUFXXKBSA-N 493.563 5.118 50 10 JKGE CCc1ccc(N2C(=O)[C@H](Cc3cccc(C)c3)S/C2=C(/C#N)C(=O)N[C@@H](C)c2ccccc2)cc1 101242825 SEARXAHBGBJZDZ-IIXITYHRSA-N 495.648 5.861 50 10 JKGE CCOc1ccc(N2C(=O)[C@H](Cc3ccccc3F)S/C2=C(/C#N)C(=O)Nc2ccccc2)cc1 101244685 FZCVPJZFTGHQGR-MZOFLMDJSA-N 487.556 5.289 50 10 JKGE CCc1ccc(N/C(SCc2ccc(F)cc2Cl)=C(\C#N)S(=O)(=O)c2ccccc2)cc1 104688956 FNYCCKCRLBSIBK-VHXPQNKSSA-N 487.021 6.553 50 10 JKGE Fc1cccc(C[C@H](Br)c2cc(Br)sc2Br)c1F 122224528 QZYNLXLGARXZIY-QMMMGPOBSA-N 460.963 6.230 50 10 JKGE Brc1ccsc1[C@H](Br)c1ccc(Br)c2ccccc12 127465838 RIJHLCVBGROUFO-CQSZACIVSA-N 461.016 6.911 50 10 JKGE Brc1cc([C@@H](Br)c2cc3c(s2)CCCCC3)sc1Br 128258767 ZITROKNNMSFEOZ-ZDUSSCGKSA-N 485.104 7.088 50 10 JKGE COc1cc([C@@H](Br)c2ccc(Br)o2)c(OC)cc1Br 134299407 SWHZVAZVYQWEMQ-CYBMUJFWSA-N 454.940 5.306 50 10 JKGE COc1cc(Br)ccc1[C@@H](Br)c1cc(C)c(Br)cc1C 160783025 OHVGMEMUBKRWOO-MRXNPFEDSA-N 463.007 6.321 50 10 JKGE CCOC(=O)c1c(NC(=O)/C(C#N)=C\c2ccc(O)c(OCC)c2)sc2c1CC[C@@H](CC)C2 209407145 YNMPEPPHXFAIJH-QJISPJEISA-N 468.575 5.090 50 10 JKGE CC[C@H](NC(=O)/C(C#N)=C\Nc1ccccc1Sc1ccccc1)c1ccc2c(c1)CCCC2 217189859 TWMSGSFRGPBCBB-VNGCWQDASA-N 467.638 6.803 50 10 JKGE CCc1ccc([C@@H](Br)c2cc(I)ccc2Br)cc1 234195863 OPPDDRLGIFDAPN-OAHLLOKOSA-N 479.981 6.100 50 10 JKGE COc1cc(C)c(Br)cc1[C@@H](Cl)c1cccc(C)c1I 234799250 LPHITTZUDAABSL-HNNXBMFYSA-N 465.556 6.007 50 10 JKGE COc1ccc([C@H](Cl)c2cccc(C)c2I)cc1Br 235001646 XIZLDUKKMFVSBI-AWEZNQCLSA-N 451.529 5.699 50 10 JKGE O=C(NN=Cc1ccc(-c2ccc(Br)c(Cl)c2)o1)c1cc2c(ccc3ccccc32)o1 252594882 BWSJGKNJYQEPQZ-UHFFFAOYSA-N 493.744 7.026 50 10 JKGE CCOc1ccc(C(=O)Oc2ccc(C=NNC(=O)COc3ccc(-c4ccccc4)cc3)cc2)cc1 254393540 HSTNEGYNNINMQH-UHFFFAOYSA-N 494.547 5.501 50 10 JKGE Cc1ccc(-n2c(C)cc(C=NNC(=O)CCc3cc(C(C)(C)C)c(O)c(C(C)(C)C)c3)c2C)cc1 254521998 OYHWRMREHABHRC-UHFFFAOYSA-N 487.688 6.786 50 10 JKGE Cc1ccc(COc2ccc(-c3cc(C(=O)NN=Cc4c(C)[nH]c5ccccc45)[nH]n3)cc2)cc1 254597837 MLINKPLPCDNTIV-UHFFFAOYSA-N 463.541 5.518 50 10 JKGE Fc1cccc2c1nc(CCl)n2-c1cc(I)ccc1Br 312613648 QJNGWTSLAMJCIB-UHFFFAOYSA-N 465.491 5.271 50 10 JKGE C[C@]1(Cn2c(CCCl)nc3cc(I)ccc32)CCCN1Cc1ccccc1 398048502 DEHASOMZBCPILD-JOCHJYFZSA-N 493.820 5.477 50 10 JKGE C[C@@H]1CC[C@](C)([C@@H](Br)c2cc(Br)c(Br)s2)C1(C)C 699052507 QRTBDDRUONWLHD-FDLBOYPASA-N 459.085 7.172 50 10 JKGE Clc1ccc([C@H](Br)c2scc(Br)c2Br)s1 705407247 AJHLPQLBZPQUFP-QMMMGPOBSA-N 451.430 6.472 50 10 JKGE CCC[C@H](CCBr)CNC(=O)c1scc(Br)c1Br 705408911 JTPSBIWQGPEBEF-MRVPVSSYSA-N 462.045 5.204 50 10 JKGE Clc1cscc1[C@H](Br)c1cc(Br)c(Br)s1 711552505 RXHSVLNEVRSQMV-QMMMGPOBSA-N 451.430 6.472 50 10 JKGE Clc1cscc1[C@@H](Br)c1cc(I)cc2c1OCC2 711565618 MAXIYYJMHUAJOJ-LBPRGKRZSA-N 455.542 5.425 50 10 JKGE BrCc1c(Br)cccc1N1CC[C@@H]2[C@@H](CCCN2Cc2ccccc2)C1 715015549 QQAMZGMTWNUDFS-GHTZIAJQSA-N 478.272 5.835 50 10 JKGE Fc1cc([C@H](Br)c2cccc(F)c2I)c(F)c(F)c1F 721720664 WSOQNOOYBZJBDF-SECBINFHSA-N 462.981 5.471 50 10 JKGE COc1cc(C=NNC(=O)c2cccs2)cc(Cl)c1OCc1ccc(Cl)cc1Cl 1083962288 DGBWLBOKGTUHSE-UHFFFAOYSA-N 469.777 6.060 50 10 JKGE CCCCCCCCCCOc1ccc(C(=O)NN=C2C[C@H](C)Cc3cc(OC)ccc32)cc1 1084033416 SFIPMTKAYOWALQ-JOCHJYFZSA-N 464.650 6.931 50 10 JKGE COc1cc(C=NNC(=O)c2ccccc2)ccc1Oc1ccc(C(F)(F)F)cc1[N+](=O)[O-] 1084125266 LAUFJTCCGSEDBP-UHFFFAOYSA-N 459.380 5.178 50 10 JKGE Cc1ccc(Cl)cc1NC(=O)/C(C#N)=C\c1cc(Cl)ccc1OCc1ccc(F)cc1 1084165618 QNBQYVUIRRGGCZ-ZDLGFXPLSA-N 455.316 6.566 50 10 JKGE C[C@@H](Sc1ccc(Cl)cc1)C(=O)NN=Cc1ccc(OCc2cccc3ccccc23)cc1 1084628898 JBPIJMIGBRFOCQ-LJQANCHMSA-N 475.013 6.703 50 10 JKGE CCOc1cc(C=NNC(=O)CSc2nc(-c3ccccc3)cs2)ccc1OCCC(C)C 1772754941 BCLXCZTYEOTDNL-UHFFFAOYSA-N 483.659 5.876 50 10 JKGE CCN(CC)C(=O)COc1ccc(/C=N\NC(=O)c2ccc(-c3ccc4ccccc4c3)s2)cc1 1860773833 GUJJNBSSNXDYIC-MIXAMLLLSA-N 485.609 5.579 50 10 JKGE CCCc1nn(Cc2ccc(Cl)c(Cl)c2)c2c1[C@H](c1ccc(Cl)cc1)C(C#N)=C(N)O2 1865683933 QNYFTOZLWJGKHH-HXUWFJFHSA-N 473.791 6.062 50 10 JKGE COc1ccc2ccccc2c1[C@@H]1C(C#N)=C(N)Oc2c1c(-c1ccccc1)nn2-c1ccc(C)cc1 1865688057 HQFXNXUIJGWGFE-MHZLTWQESA-N 484.559 6.228 50 10 JKGE CCCOc1ccc([C@@H]2C(C#N)=C(N)Oc3c2c(C(F)(F)F)nn3Cc2ccccc2Cl)cc1 1865693862 MFXMIXZJECOULU-LJQANCHMSA-N 488.897 5.611 50 10 JKGE CCOc1ccc([C@H]2C(C#N)=C(N)Oc3c2c(-c2ccc(OC)cc2)nn3Cc2ccccc2F)cc1 1865695409 OJHQNNCRMVORDN-VWLOTQADSA-N 496.542 5.363 50 10 JKGE COc1ccc(-c2nn(Cc3cccc(F)c3)c3c2[C@H](c2cccs2)C(C#N)=C(N)O3)cc1 1865698144 LMMPOJDVLRARFP-NRFANRHFSA-N 458.518 5.026 50 10 JKGE CCCOc1ccccc1[C@H]1C(C#N)=C(N)Oc2c1c(C)nn2Cc1c(F)cccc1Cl 1865704337 SWJTVBRLBUICMJ-QFIPXVFZSA-N 452.917 5.039 50 10 JKGE N#CC1=C(N)Oc2c(c(-c3ccccc3)nn2-c2ccccn2)[C@H]1c1ccc(C(F)(F)F)cc1 1865711276 UTRKAGPUFVUPGZ-FQEVSTJZSA-N 459.431 5.171 50 10 JKGE N#CC1=C(N)Oc2c(c(-c3ccccc3)nn2-c2ccccn2)[C@H]1c1cccc(OCc2ccccc2)c1 1865711779 HUBAWVXXYQCWLF-MHZLTWQESA-N 497.558 5.731 50 10 JKGE CCc1nn(Cc2ccc(Cl)c(Cl)c2)c2c1[C@@H](c1ccc(OC)cc1)C(C#N)=C(N)O2 1865712702 FZVGZNMDGJMUGU-FQEVSTJZSA-N 455.345 5.027 50 10 JKGE CCC[C@@H](NC(=O)Cc1nc(-c2ccc(Cl)cc2)oc1C)C(=O)Nc1ccc(SC#N)cc1 1866670407 UFIXZGWNSQREOZ-HXUWFJFHSA-N 482.993 5.343 50 10 JKGE CC[C@@](C)(NC(=O)C[C@@H](c1ccc(F)c(C)c1)C(C)C)C(=O)Nc1ccc(SC#N)cc1 1866766280 MBZGIWCBQJOISB-PXDATVDWSA-N 455.599 5.761 50 10 JKGE CCCCCCCCCOc1ccc(/C=C(\C#N)c2ccc(Cl)cc2F)cc1Br 1872729323 CQCFIXYHHINGMG-XMHGGMMESA-N 478.833 8.435 50 10 JKGE COc1ccc(Cl)cc1N1C[C@H](/C(O)=C(\C#N)c2nc(-c3ccc(F)c(C)c3)cs2)CC1=O 1872750115 XGSOXIGKVNXTCZ-JRCVOMKHSA-N 483.952 5.765 50 10 JKGE Cc1cc(C)c(C)c(-c2csc(/C(C#N)=C(\O)[C@@H]3CC(=O)N([C@H](C)c4ccccc4)C3)n2)c1C 1872754263 KNIWOTOJHQHMSN-PMDUQPOHSA-N 471.626 6.446 50 10 JKGE CCCCCCCOc1ccc(-c2csc(/C(C#N)=C/c3cccc(OCCC)c3)n2)cc1 1872791780 RONYAWKYTILIJV-HKOYGPOVSA-N 460.643 8.012 50 10 JKGE CCCOc1ccc(/C=C(\C#N)c2nc(-c3cc(Cl)cc(Cl)c3OC)cs2)cc1OCC 1872792934 YIEYYLIKGDSPPI-CXUHLZMHSA-N 489.424 7.377 50 10 JKGE COc1ccc(-c2csc(/C(C#N)=C/c3cccc(OCc4ccccc4)c3)n2)cc1Cl 1872794632 NICACBUGHIRVDP-CIAFOILYSA-N 458.970 7.115 50 10 JKGE N#C/C(=C(/O)COc1cc(Cl)ccc1Cl)c1nc(-c2ccc3ccccc3c2)cs1 1873941042 TWUHKHNUVDWKFY-UZYVYHOESA-N 453.350 7.142 50 10 JKGE COc1cc(C)c([C@@H](Cl)c2cc(Br)sc2Br)cc1Br 1901585286 ALQHGRZGSQJFGZ-GFCCVEGCSA-N 489.454 6.681 50 10 JKGE Cc1scc([C@@H](Br)c2sc(Cl)cc2Br)c1Br 1902878018 XAFLKESMEBEOTL-SECBINFHSA-N 465.457 6.781 50 10 JKGE CCCOc1ccc([C@H](Br)c2c(C)nsc2Br)cc1Br 1912983380 ZDJOUYITEVTTFH-ZDUSSCGKSA-N 484.051 6.250 50 10 JKGE O=C(Cc1ccccc1Br)N(Cc1ccccc1)[C@@H](CBr)C1CC1 1915265194 OOBZMZCXCMMCTK-IBGZPJMESA-N 451.202 5.194 50 10 JKGE O=C(c1ccc(F)cc1Br)N(Cc1ccccc1)[C@H](CBr)C1CC1 1915313411 NILOERLDIZNQQY-GOSISDBHSA-N 455.165 5.404 50 10 JKGE CN(C[C@H](Br)COCc1ccccc1)C(=O)c1ccc2cc(Br)ccc2c1 1916355273 RZUXTJHFDMKEPP-NRFANRHFSA-N 491.223 5.655 50 10 JKGE Cc1ccc(Br)c([C@@H](Cl)c2sc(Br)c(C)c2Br)c1 1922940006 JXQQKLWOQQEUHA-LLVKDONJSA-N 473.455 6.981 50 10 JKGE Fc1cc([C@@H](Br)c2c(Br)sc(Br)c2Cl)ccc1Cl 1923054593 HOAJPQLLDZJHPQ-MRVPVSSYSA-N 497.836 7.203 50 10 JKGE Fc1cc([C@H](Cl)c2c(Br)sc(Br)c2Cl)c(F)cc1Cl 1923066010 KNTSPOWSMXSDCJ-QMMMGPOBSA-N 471.375 7.186 50 10 JKGE COc1cc(C)c(Br)cc1[C@@H](Br)c1csnc1Br 1925248682 RSVPYBUJZANSDP-LLVKDONJSA-N 455.997 5.469 50 10 JKGE Cc1nsc(Br)c1[C@H](Br)c1c(Cl)sc(Cl)c1Cl 1925557324 ZAGLMVGMSAXULB-YFKPBYRVSA-N 456.439 6.720 50 10 JKGE Cc1c(Br)ccc([C@H](Br)C2CC(Br)C2)c1Br 1994122106 IMTIGCOSWARJJQ-WZQIAMPNSA-N 475.844 6.130 50 10 JKGE COCCC1([C@@H](Cl)c2c(Br)sc(Br)c2Br)CC1 1996213571 HBZPCTUEVSAGHN-QMMMGPOBSA-N 467.448 6.132 50 10 JKGE CN(CCN(Cc1ccccc1)c1ccc(C(F)(F)F)c(CBr)c1)Cc1ccccc1 2010602897 NIFZXJHHQAWDLK-UHFFFAOYSA-N 491.395 6.739 50 10 JKGE Cl[C@H](c1c(Br)sc(Br)c1Br)[C@@H]1[C@H]2C[C@@H]3[C@H]1[C@@H]3C2 2016562061 HSJFDZLTBDVFQB-SVMGACJASA-N 461.444 6.218 50 10 JKGE FC(F)(F)C[C@H](CBr)NCc1cccc(Br)c1Br 2031477727 DMTTYJWMVDALQL-MRVPVSSYSA-N 453.922 5.017 50 10 JKGE Cc1c(Br)sc([C@H](Br)[C@@]2(C)C[C@@H]2C(F)(F)F)c1Br 2039184756 DYLOXKQJBVQGSZ-MAHGNNSGSA-N 470.974 6.606 50 10 JKGE C[C@]1([C@@H](Br)c2cc(Br)sc2Br)CCCCC1(F)F 2048988388 SOOXNRMFUBRHSL-GXSJLCMTSA-N 467.011 6.925 50 10 JKGE CO[C@@H]1CCC[C@@H]([C@H](Br)c2c(Br)sc(Br)c2Cl)C1 2062719254 VUMKAEGICUBQLU-BHNWBGBOSA-N 481.475 6.568 50 10 JKGE C[C@@H](Br)[C@@H](NCc1cccc(Br)c1Br)C(F)(F)F 2074716836 OZJBFEHXILWTEJ-LHLIQPBNSA-N 453.922 5.016 50 10 JKGE Cl[C@H](c1c(Br)sc(Br)c1Br)[C@@H]1C[C@H]1C1CCCC1 2079391717 FZVXWYVNMFILLW-RNSXUZJQSA-N 477.487 7.142 50 10 JKGE Cc1c(Br)ccc([C@@H](Br)c2cc(Cl)sc2Cl)c1Br 2083338431 MZDAHNQZIGEKCK-LLVKDONJSA-N 493.873 7.373 50 10 JKGE Cc1cc(C)c([C@@H](Br)c2cc(Br)n(C)n2)c(C)c1Br 2094081893 IKCZWQRJGABGBS-AWEZNQCLSA-N 451.000 5.355 50 10 JKGE Cc1cc([C@@H](Br)c2c(Br)cccc2Br)c(F)cc1F 2094091728 XFEVXKXSKCPTDF-CQSZACIVSA-N 454.934 6.283 50 10 JKGE CC1(C)CCC[C@@H]([C@@H](Br)c2cc(Br)ccc2Br)CC1 2100847479 FNMRBXAWLHZVTI-IAQYHMDHSA-N 453.056 7.254 50 10 JKGE CC(C)(F)[C@@](C)(F)COc1c(Br)cc(CBr)cc1Br 2112678804 QBBWWCLBTWFYCN-ZDUSSCGKSA-N 464.970 5.962 50 10 JKGE COc1ccc(Cl)cc1[C@@H](Br)c1cc(I)ccc1F 2113358412 QKBRUENCNRFTNK-AWEZNQCLSA-N 455.492 5.577 50 10 JKGE Cc1ccc(Oc2cc(Br)cc(F)c2CBr)c(Br)c1 2114263764 DFMFYLNKJDEHCR-UHFFFAOYSA-N 452.943 6.346 50 10 JKGE Cc1cc(Br)c([C@@H](Br)[C@H]2C[C@@H]3CCC[C@@H]3C2)cc1Br 2127046113 WAFWAPHILALUDD-BUWBCJGYSA-N 451.040 6.782 50 10 JKGE C[C@]1([C@@H](Cl)c2c(Br)sc(Br)c2Cl)CCCC(F)(F)C1 2132123021 MEECZBHVTPTTMV-KWQFWETISA-N 457.005 7.422 50 10 JKGE C[C@]1([C@H](Br)c2cc(Br)ccc2Br)CCCC(F)(F)C1 2132139783 CLONDEDAZLYBLP-OLZOCXBDSA-N 460.982 6.863 50 10 JKGE Clc1cc(C[C@]2(CBr)CCO[C@@H]2C2CC2)ccc1I 2142941598 WUVVZKNKKGXGMG-CABCVRRESA-N 455.561 5.067 50 10 JKGE CC1(C)C[C@@H](Br)CCN(C(=O)c2cccc(Br)c2Br)C1 2148755096 GHEGBTHNSIZBKV-JTQLQIEISA-N 468.027 5.237 50 10 JKGE Fc1ccc2nc(CCCl)n(C3CC(COCc4ccccc4)C3)c2c1Br 2149053745 XOKBMMTYMFYAEZ-UHFFFAOYSA-N 451.767 5.887 50 10 JKGE CCc1nc(CC(CBr)(CBr)c2ccc(Br)cc2)cs1 2169827012 WZXJBAXPVKWDBQ-UHFFFAOYSA-N 482.079 5.738 50 10 JKGE C[C@@H]1CN(C(=O)c2cc(Br)ccc2Br)CC[C@@H]1CCBr 2172479331 ZMDKUGXXPIZWGM-MNOVXSKESA-N 468.027 5.095 50 10 JKGE Cc1cc([C@@H](Br)c2c(C)c(Br)cc(C)c2Br)ccc1Cl 2201068939 IOIHQQRSRHHYGG-MRXNPFEDSA-N 481.453 7.275 50 10 JKGE CC(F)(F)c1ccc([C@H](Br)c2ccc(Br)cc2Br)cc1 2203705978 PTOGMWOOKRYJAZ-AWEZNQCLSA-N 468.961 6.808 50 10 JKGE COc1c(Br)cc(C)cc1[C@H](Cl)c1cc(Br)ccc1Br 2203815389 UUPGSUWVSSRLOQ-CQSZACIVSA-N 483.425 6.619 50 10 JKGE Cl[C@H](Cc1sc(Br)c(Br)c1Br)CC1CCCC1 2216421458 REWWJUWXUUEIBH-QMMMGPOBSA-N 465.476 6.766 50 10 JKGE COc1cc(Br)c([C@@H](Br)c2cccc(OCc3ccccc3)c2)cc1C 2227728665 WZPDHBKYCKWGTO-QFIPXVFZSA-N 476.208 6.829 50 10 JKGE COc1c(C(C)C)cc(Br)cc1[C@H](Br)c1occc1Br 2233161456 FBYUTIBUYZSETE-ZDUSSCGKSA-N 466.995 6.421 50 10 JKGE Cc1cc(Br)c([C@H](Cl)Cc2ccc(Br)cc2)c(C)c1Br 2235607519 ZLPRAIRLHDRGHI-CQSZACIVSA-N 481.453 7.114 50 10 JKGE CC1(COC2(CBr)CCN(C(=O)OC(C)(C)C)CC2)CC2(CC(F)(F)C2)C1 2238840748 YLLCSVTVVUHIKC-UHFFFAOYSA-N 452.380 5.383 50 10 JKGE Fc1cccc([C@H](Br)c2ccc([C@@H]3CCOC3)s2)c1I 2240430799 BWKLXJIVFMUEIP-OTYXRUKQSA-N 467.141 5.480 50 10 JKGE Brc1cc(Br)cc(C[C@@H](Br)[C@H]2C[C@@H](Br)C2)c1 2246002859 ZAFUNRWRXYPVQF-JFUSQASVSA-N 475.844 5.691 50 10 JKGE CCc1cc([C@@H](Br)Cc2ccc(Br)cc2)sc1Br 2256055236 OBJDWZHHDYGMNC-LBPRGKRZSA-N 453.037 6.514 50 10 JKGE COc1cc(Cl)c(Cl)cc1[C@H](Br)c1cccc(OCc2ccccc2)c1 2264367505 WIIDHVZNRNODAY-OAQYLSRUSA-N 452.175 7.065 50 10 JKGE CCCc1ccc([C@@H](Br)c2c(Br)sc(Br)c2Cl)cc1 2268142099 NVYGZPYKVINRED-LLVKDONJSA-N 487.482 7.363 50 10 JKGE Fc1cc(Br)c(Br)cc1[C@H](Br)[C@@H]1CCC[C@H]1C(F)F 2270154882 KSVQUAGLOCVIPI-NQYJQULFSA-N 464.945 6.468 50 10 JKGE Fc1cc(Cl)c([C@@H](Br)Cc2cccc(Br)c2)cc1Br 2270439083 VMMSZNQCUKNMKR-NSHDSACASA-N 471.389 6.683 50 10 JKGE C[C@@H]1Cc2cc(Br)cc([C@H](Br)c3cocc3Br)c2O1 2270487590 GKRURNQYTHKUIH-UHLUBPPHSA-N 450.952 5.612 50 10 JKGE Fc1cccc([C@@H](Br)c2c(F)cc(Br)c(F)c2Br)c1 2272727441 UEVTVLPVEZJTFQ-LLVKDONJSA-N 458.897 6.113 50 10 JKGE Cc1c([C@H](Br)c2cc3sc(Br)cc3s2)nn(C)c1Br 2278011895 NESLCPYIAPOOIW-SNVBAGLBSA-N 485.064 6.014 50 10 JKGE Cc1cc(Cl)c(Cl)cc1[C@@H](Br)Cc1ccc(Br)cc1Cl 2279041346 IYXGPYUOFNOPOV-LBPRGKRZSA-N 457.420 7.396 50 10 JKGE Cc1cc(Cl)c(Cl)cc1[C@@H](Br)c1cc(Br)c(Cl)cc1F 2286456579 AVKPLFUPMBBYGE-CQSZACIVSA-N 461.383 7.341 50 10 JKGE CCO[C@@H]1CC[C@H]([C@@H](Br)c2c(F)cc(Br)c(F)c2Br)C1 2288346061 HOYCDOZFMSZRHM-JOAULVNJSA-N 476.981 6.131 50 10 JKGE Fc1cccc(Br)c1[C@H](Cl)c1c(F)cc(Br)c(F)c1Br 2288353409 JIVVCFZHEFMPHZ-LBPRGKRZSA-N 493.342 6.720 50 10 JKGE COc1cc(C=CC(=O)Oc2ccc([N+](=O)[O-])cc2)cc(Br)c1OCc1ccc(C)cc1 2294610665 XAJSRWWSBABISF-UHFFFAOYSA-N 498.329 5.872 50 10 JKGE Fc1cc(Cl)c(Br)cc1[C@@H](Br)c1ccc(C(F)(F)F)s1 2295054684 OHXYGEBHYFEOFR-LLVKDONJSA-N 452.492 6.806 50 10 JKGE FC(F)(F)[C@@H]1CCC[C@H]1[C@@H](Br)Cc1cc(Br)cc(Br)c1 2295330241 SQSOLWWKMUXLCM-UPJWGTAASA-N 478.972 6.496 50 10 JKGE CCCCc1ccc(C[C@H]2SC(=C(C#N)C(=O)Nc3ccc(C)cc3)N(c3ccccc3)C2=O)cc1 2296507092 SSSLKBGSWXQEDG-HHHXNRCGSA-N 495.648 6.403 50 10 JKGE Cc1cccc(C[C@H]2SC(=C(C#N)C(=O)Nc3ccc(F)cc3)N(c3ccc(Cl)cc3)C2=O)c1 2296643179 BPSCNQMYGTTWJJ-HSZRJFAPSA-N 491.975 5.853 50 10 JKGE CCCSC=C(NC(=O)c1ccc(C)cc1)[P+](c1ccccc1)(c1ccccc1)c1ccccc1 2297497921 IYGGMCXZOJVBKT-UHFFFAOYSA-O 496.636 6.661 50 10 JKGE CCOC(=O)C(C#N)=CC=C(c1ccc(Cl)cc1)N1CCN(c2ccccc2Cl)CC1 2297534968 MYTHJJSHWFJWSQ-UHFFFAOYSA-N 456.373 5.170 50 10 JKGE CCOc1cc(C=C(C#N)c2nc3ccccc3[nH]2)ccc1OCc1ccc(Cl)cc1Cl 2297550630 DOFNNXKVJQGNIT-UHFFFAOYSA-N 464.352 6.912 50 10 JKGE CC(C=Cc1ccccc1)=NNC(=O)COc1c(C)cc(Br)cc1Br 2313574209 RIFDFDMGJIFHPK-UHFFFAOYSA-N 466.173 5.104 50 10 JKGE N#CC(=Cc1cc(Br)ccc1OCc1ccccc1F)C(=O)Nc1ccccc1Cl 2313631798 VYWHHVUKSXSKQL-UHFFFAOYSA-N 485.740 6.366 50 10 JKGE Brc1cc(OCc2ccccc2)ccc1[C@H](Br)[C@@H]1CC[C@@H]2C[C@H]1CO2 2314445195 QINLIDPZAJDSIU-LTVCHDBBSA-N 466.213 6.279 50 10 JKGE Cc1cc([C@@H](Cl)c2ccc(OCc3ccccc3)cc2Br)ccc1Br 2314452776 QDQBFKAPFCHJMK-OAQYLSRUSA-N 480.627 7.427 50 10 JKGE CCC12COC([C@@H](Br)c3cc(Br)ccc3OCc3ccccc3)(C1)C2 2314493207 CMBKIFXDWAYMKY-MWXLCCTBSA-N 466.213 6.423 50 10 JKGE CC1(C)[C@@H]2CC([C@H](Br)c3cc(Br)ccc3OCc3ccccc3)C[C@H]21 2314497843 ODZKZOWFMFWJQE-SBHAEUEKSA-N 464.241 7.146 50 10 JKGE Cc1ccc(N2C(=O)[C@H](Cc3ccccc3)SC2=C(C#N)C(=O)N[C@H](C)c2ccccc2)cc1C 2314593723 RZFUGSDTMPLLSM-RLWLMLJZSA-N 481.621 5.607 50 10 JKGE CC[C@](C)(C(F)F)[C@H](Br)c1cc(Br)c(Br)cc1F 2315001122 GMNAHWWWBHNZFC-PWSUYJOCSA-N 452.934 6.468 50 10 JKGE C[C@H](Oc1cc(Br)cc(I)c1)c1nc(CCl)cs1 2316688543 PHNATCUSTBCWGO-ZETCQYMHSA-N 458.546 5.389 50 10 JKGE COc1c(Br)cc(C)c([C@@H](Br)C2(Cl)CCC2)c1Br 2317410203 HTZIDAYXJIGVFG-GFCCVEGCSA-N 461.419 6.126 50 10 JKGE Cc1cc(Br)c(F)c(Br)c1[C@@H](Br)[C@]1(C)CC1(F)F 2317422048 GVXLKNCCYKWVAS-MNOVXSKESA-N 450.918 6.140 50 10 JKGE N#CC(=CNCc1ccccc1Br)C(=O)Nc1ccc(Cl)c(C(F)(F)F)c1 2318462592 LRQHPDJNRIRUOW-UHFFFAOYSA-N 458.665 5.257 50 10 JKGE CC(C)(C)OC(=O)N1CCC[C@](CI)(OC[C@H]2CC[C@@H]2C(C)(C)C)C1 2320179667 JXQNOZXPFMKXNL-GQIGUUNPSA-N 465.416 5.280 50 10 JKGE Cc1ccc(Cl)cc1NC(=O)C(C#N)=CN1CCN(C(c2ccccc2)c2ccccc2)CC1 2325141920 RZAFDNCYYWEMPK-UHFFFAOYSA-N 471.004 5.402 50 10 JKGE CC[C@@H](C)[C@@H](C(O)=C(C#N)c1nc(-c2ccc3c(c2)CCCC3)cs1)N1C(=O)c2ccccc2C1=O 2331240218 JOHJLASJSPPJNH-NSYGIPOTSA-N 497.620 6.192 50 10 JKGE Cc1cc(OCC(O)=C(C#N)c2nc(-c3ccc(Br)cc3)cs2)cc(C)c1Cl 2331260455 KDVGNRZRHJRRHE-UHFFFAOYSA-N 475.795 6.715 50 10 JKGE Fc1cc(Cl)c(Br)c(Cl)c1[C@H](Br)c1scc(Cl)c1Cl 2335286472 UOIBDJCIMVFURE-QMMMGPOBSA-N 487.830 7.748 50 10 JKGE CCCc1sc(Br)cc1[C@@H](Br)c1cn(CC)c(Br)n1 2338025218 FACZAXQMWGQYSD-GFCCVEGCSA-N 471.056 5.926 50 10 JKGE CCc1cc(Br)c(OC)c([C@H](Br)c2ccc(Br)o2)c1 2353039228 DVAZAFQSDZOBLF-ZDUSSCGKSA-N 452.968 5.860 50 10 JKGE CC(C)(C)OC1CC(C[C@H](Cl)c2ccc(OCc3ccccc3)cc2Br)C1 2361213215 BKGPARQCGSCKEU-FQVRHNBASA-N 451.832 7.292 50 10 JKGE Fc1c(Br)cc(Cl)c([C@H](Br)C2CCC(F)(F)CC2)c1Br 2362228750 PEXKCIKAJCPAAK-SNVBAGLBSA-N 499.390 7.266 50 10 JKGE Cc1cc(N(C)Cc2c(Br)cccc2Br)cc(CBr)n1 2366164135 ZELIRYZBFZZBFO-UHFFFAOYSA-N 463.011 5.446 50 10 JKGE CN(C)c1ccnc(Oc2cc(Br)cc(Br)c2)c1CBr 2377530366 UHBFWPXXGVCRGS-UHFFFAOYSA-N 464.983 5.360 50 10 JKGE Cc1cc(Br)c(C(C)C)cc1[C@H](Cl)c1ccccc1I 2380930716 GPOOIMVIZLQSPD-QGZVFWFLSA-N 463.584 6.814 50 10 JKGE CC(C)(C)c1ccc(C(=O)Nc2ccc(C(=O)NNC(=O)/C=C/c3cccc4ccccc34)cc2)cc1 12492055 WHUVLCXRPZCODZ-HMMYKYKNSA-N 491.591 5.864 50 10 JKGE Cc1ccc(N/C(SCc2cccc(F)c2)=C(/C#N)S(=O)(=O)c2ccccc2)c(C)c1 20325190 VHXLZPKIQNUSMX-WCWDXBQESA-N 452.576 5.954 50 10 JKGE CCOc1cc(/C=C(/C#N)C(=O)Nc2ccccc2C(=O)OC)ccc1OCc1ccccc1Cl 33406756 PSIHFUMLLWXROT-ZHZULCJRSA-N 490.943 5.650 50 10 JKGE CCCCOc1ccc(/C=C(/C#N)C(=O)Nc2sc3c(c2C(=O)OCC)CC[C@H](C)C3)cc1 34901915 GBJSTKAZYMIGOB-STZPCZCHSA-N 466.603 5.774 50 10 JKGE C/C(=N/NC(=O)c1cc(-c2ccc(-c3ccccc3)cc2)nc2ccccc12)c1ccc2c(c1)OCO2 35132312 PIYRZKPSLWRCDM-UCMJSZAQSA-N 485.543 6.452 50 10 JKGE COc1ccccc1[C@@H]1C(C#N)=C(N)Oc2cc(OC(=O)COc3ccc(C(C)C)cc3)ccc21 38650076 IAYCLCONJLJWLA-MHZLTWQESA-N 470.525 5.021 50 10 JKGE CCCCOc1ccccc1C(=O)Oc1ccc2c(c1)OC(N)=C(C#N)[C@H]2c1ccccc1OC 38650090 UKKBAZADNFGSNZ-SANMLTNESA-N 470.525 5.311 50 10 JKGE CCCCOc1ccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)COc4ccc(C)cc4)ccc32)cc1 38650774 HECWMUSXZWBUJU-NDEPHWFRSA-N 484.552 5.377 50 10 JKGE CCCCOc1ccccc1[C@H]1C(C#N)=C(N)Oc2cc(OC(=O)COc3ccccc3C)ccc21 38682748 UMRRCXQBBQYUIB-MUUNZHRXSA-N 484.552 5.377 50 10 JKGE COC(=O)c1ccccc1NC(=O)c1oc2c(c1C)/C(=N/NC(=O)c1cccc3ccccc13)CCC2 40813588 SUFAXYSVUDPIFQ-UQRQXUALSA-N 495.535 5.251 50 10 JKGE Cc1c(C(=O)NCCC(C)C)oc2c1/C(=N/NC(=O)c1ccc(-c3ccccc3)cc1)CCC2 40822818 DKLRUAWFRXPYAS-JJKYIXSRSA-N 457.574 5.501 50 10 JKGE Cc1c(C(=O)Nc2ccc(Cl)c(Cl)c2)oc2c1/C(=N/NC(=O)c1cccs1)CCC2 40823686 BUUKOSOGOXRRQY-MFKUBSTISA-N 462.358 5.679 50 10 JKGE CCOc1ccc(-c2nc(NC(=O)/C(C#N)=C/c3ccc(OCC)c(OC)c3)sc2C)cc1 41013220 TXKRGSPFCRGCEZ-CPNJWEJPSA-N 463.559 5.470 50 10 JKGE O=C(CSc1c(Cl)c(Cl)c(Cl)c(Cl)c1Cl)N/N=C/c1ccc(O)cc1O 59153582 FBDIFHXXFQYMMO-IPBDZQFASA-N 474.580 5.607 50 10 JKGE CC1=CCCC(C)(C)[C@H]1/C=C/C(C)=C\C[P+](c1ccccc1)(c1ccccc1)c1ccccc1 97945779 LLUROCTWOJDHOX-UGYHUIBCSA-N 465.641 7.866 50 10 JKGE COc1cc(Cl)c([C@@H](Br)c2ccc(Br)cc2Cl)cc1OC 109866746 CEUNMQHKVROQPZ-HNNXBMFYSA-N 454.973 6.257 50 10 JKGE Cc1cc(Br)c([C@H](Br)c2cc3c(s2)CCCCC3)cc1Br 128815119 RVQZKEZYJKEJKO-KRWDZBQOSA-N 493.102 7.335 50 10 JKGE CCCCCOc1cccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)/C=C\c4ccccc4)ccc32)c1 205659653 PFCIOGACAMVPQN-GZZSIDQHSA-N 480.564 6.093 50 10 JKGE CCCCOc1ccc(/C=C2\C(=O)N([C@@H](C)c3ccccc3)C(=O)C(C#N)=C2C)cc1OCC 214342539 ZEDMNWOJPFVWJW-LORYXUCWSA-N 458.558 5.618 50 10 JKGE CCc1ccc([C@H](C)NC(=O)/C(C#N)=C\N2CCN(C(c3ccccc3)c3ccccc3)CC2)cc1 217194649 REGPQZOBOFHURO-VVJBIOMHSA-N 478.640 5.241 50 10 JKGE CC(C)(C)c1ccc([C@H](Br)c2ccc(I)c(Cl)c2)cc1 232343079 GTHPEPSETHKNKF-INIZCTEOSA-N 463.584 6.726 50 10 JKGE Clc1ccc(C[C@@H](Br)c2ccc(I)c(Cl)c2)cc1 232386346 ZHFZHMYNVIHCRD-GFCCVEGCSA-N 455.948 6.277 50 10 JKGE COc1ccc(C(C)=NNC(=O)c2ccc(CSc3nc4ccccc4s3)cc2)c(O)c1 254306199 GIWZVGTXOKWVAE-UHFFFAOYSA-N 463.584 5.457 50 10 JKGE CCCCCCCCCCCCCCCC(=O)NN=Cc1ccc(OCc2ccc(C)cc2)cc1 254379559 DRKNDGKGQUFKFY-UHFFFAOYSA-N 478.721 8.505 50 10 JKGE CC(C)(C)c1ccc(OCc2ccc(C(=O)NN=Cc3ccc(N4CCOCC4)s3)cc2)cc1 254483813 OJFJFOPTJWURMK-UHFFFAOYSA-N 477.630 5.225 50 10 JKGE Cc1ccc(-c2nnc(SCC(=O)NN=Cc3cccc4ccccc34)n2C2CCCCC2)cc1 263628503 LIUKRMJCJPXRPA-UHFFFAOYSA-N 483.641 6.154 50 10 JKGE Clc1cc([C@@H](Br)c2sccc2I)sc1Br 306838640 XPBZKSXUNIPXFZ-SSDOTTSWSA-N 498.430 6.314 50 10 JKGE Cl[C@H](c1cccc(OCc2ccccc2)c1)c1cc(Br)c(Br)s1 309965814 KXBBUVLXHLWUCG-QGZVFWFLSA-N 472.629 7.180 50 10 JKGE C[C@@H]1CN(Cc2ccccc2)CC[C@H]1n1c(CCl)nc2cc(Br)c(F)cc21 397948460 JUDKAZRYIREIJY-AUUYWEPGSA-N 450.783 5.760 50 10 JKGE Cc1cccc(Br)c1[C@@H](Br)c1c(Br)cc(F)c(F)c1F 398651839 BRNZQYXYCFZUNX-GFCCVEGCSA-N 472.924 6.422 50 10 JKGE CC(C)(C)[Si](C)(C)OCCc1ccccc1[C@H]1CN(S(=O)(=O)c2ccccc2)CCO1 616603382 NSTFVXMBYWVUNO-HSZRJFAPSA-N 461.700 5.013 50 10 JKGE CC(C)(C)OC(=O)NCCN1CCCO[C@@H](c2ccccc2CO[Si](C)(C)C(C)(C)C)C1 616654901 LLTJNUOXDVOCCG-JOCHJYFZSA-N 464.723 5.497 50 10 JKGE COc1cc(Br)c([C@H](Br)c2ccsc2Br)cc1OC 698577061 RLAHPCXUQHUESI-GFCCVEGCSA-N 471.008 5.775 50 10 JKGE COc1cc(Br)c(Oc2ccc(CBr)nc2)cc1Br 703452090 XKOSGKAUECWACE-UHFFFAOYSA-N 451.940 5.302 50 10 JKGE Clc1cc2c(cc1[C@@H](Cl)c1scc(Br)c1Br)OCCO2 705449366 ZRVSJHCIVFOHFM-GFCCVEGCSA-N 458.986 6.026 50 10 JKGE Cl[C@@H](c1ccccc1)c1nnc(-c2scc(Br)c2Br)s1 705466359 UASKKWGCWWPWDB-JTQLQIEISA-N 450.608 6.120 50 10 JKGE COc1cc(F)c(Br)cc1[C@@H](Br)Cc1ccccc1Br 709558589 CZIRCJAOBHMARX-LBPRGKRZSA-N 466.970 6.038 50 10 JKGE CN(Cc1ccccc1)C(C)(C)Cn1c(CCl)nc2cc(I)c(F)cc21 714232152 YZIOANQSSPFUPJ-UHFFFAOYSA-N 485.772 5.429 50 10 JKGE Clc1cccc(COc2ccc(Br)c(CBr)c2)c1Br 719386066 YSUXDFCMRFCTTI-UHFFFAOYSA-N 469.398 6.339 50 10 JKGE Cc1cccnc1C[C@@H](Br)c1ccc(I)c(Br)c1 721575749 BYMWBQLDIMDQTG-LLVKDONJSA-N 480.969 5.436 50 10 JKGE COc1ccc([C@H](Br)c2ccc(I)c(Br)c2)cc1 721595245 UWRQVAAVRHVKBZ-AWEZNQCLSA-N 481.953 5.547 50 10 JKGE COc1cc(/C=C(/C#N)C(=O)Nc2cccc3ccccc23)ccc1OCc1cccc(Cl)c1 1083912966 NKSXNIKSVJJQRS-HMAPJEAMSA-N 468.940 6.626 50 10 JKGE COc1cc(C=NNC(=O)c2ccccc2-n2cccc2)ccc1OCc1c(Cl)cccc1Cl 1084002734 QJSOAIRVABIEKP-UHFFFAOYSA-N 494.378 6.136 50 10 JKGE CCOc1cc(/C=C(\C#N)C(=O)Nc2ccccc2)ccc1OCc1ccc(Cl)cc1Cl 1084035646 IAWYRTIBSUIZLI-XDHOZWIPSA-N 467.352 6.517 50 10 JKGE Cc1cc(C=NNC(=O)C(=O)Nc2cccc3ccccc23)c(C)n1-c1cc(Cl)cc(Cl)c1 1084041421 ICDJEIKOVIMQJC-UHFFFAOYSA-N 479.367 5.643 50 10 JKGE CCOc1cc(/C=C(/C#N)C(=O)Nc2ccc(C)cc2)ccc1OC(=O)c1ccc(OC)cc1 1084334548 MTARZCYMYTXLEU-QNGOZBTKSA-N 456.498 5.167 50 10 JKGE N#C/C(=C/c1ccc(OCc2ccc(Br)cc2)cc1)C(=O)Nc1ccc(F)cc1 1084356812 JXPMWKYVZLAUIW-AQTBWJFISA-N 451.295 5.713 50 10 JKGE O=C(CCCNc1ccc(Cl)cc1)NN=C(/C=C/c1ccc([N+](=O)[O-])cc1)c1ccccc1 1084428110 DTSFQGSAJBUGGS-ZITIIORJSA-N 462.937 5.674 50 10 JKGE N#C/C(=C\c1cc(Br)ccc1OCc1ccc(Cl)cc1)C(=O)Nc1ccccc1F 1084504212 ZJJAPFWMRKLYII-GZTJUZNOSA-N 485.740 6.366 50 10 JKGE Cc1ccccc1C(=O)NN=C1CCCc2oc(C(=O)Nc3ccccc3Br)c(C)c21 1772743524 DWDHSEDSWWRPPO-UHFFFAOYSA-N 480.362 5.382 50 10 JKGE COc1cc(C=NNC(=O)COc2c(C)ccc(C)c2C)ccc1OCc1ccc(Cl)cc1 1772753169 CYDSLFBYCMCALX-UHFFFAOYSA-N 466.965 5.382 50 10 JKGE N#CSc1ccc(NC(=O)Nc2ncccc2OCC(=O)Nc2ccc(Cl)cc2Cl)cc1 1858835380 UOUMETCRFIYQGE-UHFFFAOYSA-N 488.356 5.623 50 10 JKGE N#CC1=C(N)Oc2c(c(C(F)(F)F)nn2Cc2ccc(Cl)c(Cl)c2)[C@H]1c1ccc(O)cc1 1865684698 WBJUROUWAAMQFV-INIZCTEOSA-N 481.261 5.181 50 10 JKGE CCCc1nn(-c2cccc(Cl)c2)c2c1[C@H](c1ccc(Cl)cc1Cl)C(C#N)=C(N)O2 1865685187 FJXMPQJKQXKHBW-LJQANCHMSA-N 459.764 6.003 50 10 JKGE COc1ccc(-c2nn(-c3ccc(Cl)cc3)c3c2[C@H](c2ccccc2C(=O)O)C(C#N)=C(N)O3)cc1 1865704554 YRTKUBOWICZKEP-JOCHJYFZSA-N 498.926 5.118 50 10 JKGE COc1ccc(-c2nn(Cc3cccc(Cl)c3)c3c2[C@H](c2ccc(F)cc2)C(C#N)=C(N)O3)cc1 1865707834 HGQTYGRKPPNGQA-HSZRJFAPSA-N 486.934 5.618 50 10 JKGE Cc1cccc([C@H]2C(C#N)=C(N)Oc3c2c(-c2ccccc2)nn3Cc2ccc(Cl)cc2)c1 1865711141 QMGIBISUIUGJSS-QHCPKHFHSA-N 452.945 5.778 50 10 JKGE C[C@@H](CC(=O)N[C@@H](C(=O)Nc1ccc(SC#N)cc1)c1ccccc1)c1ccc(Cl)cc1 1866716945 YWYNOLVMENLVNG-BXKMTCNYSA-N 463.990 5.903 50 10 JKGE CSCC[C@@H](NC(=O)C[C@@H](c1ccc(C)cc1)C(C)C)C(=O)Nc1ccc(SC#N)cc1 1866747353 YFSKVNCNMSDIMB-DHIUTWEWSA-N 469.676 5.575 50 10 JKGE N#CSc1ccc(Nc2cc(N3CCO[C@@H](c4ccncc4)C3)nc(Cc3ccccc3)n2)cc1 1868208282 YNGNMOSUTQGBES-XMMPIXPASA-N 480.597 5.357 50 10 JKGE N#C/C(=C(/O)CCCOc1ccc2ccccc2c1)c1nc(-c2ccc3c(c2)CCCC3)cs1 1872745478 ORIRAMSZHWAQJQ-SGEDCAFJSA-N 466.606 7.494 50 10 JKGE C[C@@H](Oc1ccc(Cl)cc1Cl)/C(O)=C(\C#N)c1nc(-c2ccc3c(c2)OCO3)cs1 1872752444 CFNYRBDXALGVHA-QTVDBSQPSA-N 461.326 6.106 50 10 JKGE CCOc1ccc(OCC)c(-c2csc(/C(C#N)=C(\O)c3ccc(OCC(C)C)cc3)n2)c1 1872754663 CXWYNDCGIIDXKG-LVWGJNHUSA-N 464.587 6.592 50 10 JKGE CCOc1ccc(OCC)c(-c2csc(/C(C#N)=C(\O)c3cc4ccccc4oc3=O)n2)c1 1872754881 NEDOLYGBPHKEDO-NMWGTECJSA-N 460.511 5.664 50 10 JKGE COc1cc(C)c(-c2csc(/C(C#N)=C(\O)CCCOc3ccc4ccccc4c3)n2)cc1C 1872757913 BWGDLGNLPBSALF-LCUIJRPUSA-N 470.594 7.241 50 10 JKGE CC(C)[C@H](CBr)N(Cc1ccccc1)S(=O)(=O)c1sccc1Br 1915292265 XQPQCACYDPJOMO-HNNXBMFYSA-N 481.275 5.121 50 10 JKGE O=C(c1ccc(I)cc1)N(Cc1ccccc1)[C@H](CBr)C1CC1 1915315272 VDXHKKHRDNDCOC-GOSISDBHSA-N 484.175 5.107 50 10 JKGE Brc1cc(Br)c([C@H](Br)[C@@]23CCCC[C@@H]2OCC3)s1 1922895741 YRHSAMNMYNKLLD-TVYUQYBPSA-N 459.041 6.058 50 10 JKGE Cc1ccc([C@@H](Br)c2sc(Br)cc2Br)c(Cl)c1 1922934025 BLXDTTNDSYNGAW-LLVKDONJSA-N 459.428 6.719 50 10 JKGE Cc1c(Br)sc([C@H](Br)[C@@H]2C[C@H]3C[C@H]2[C@@H]2C[C@@H]32)c1Br 1922935350 OTPWOJYNCVPTFV-NYDWMNENSA-N 455.053 6.310 50 10 JKGE Fc1cc(Br)cc([C@H](Cl)c2sc(Br)cc2Br)c1 1922943996 XERLXMGPYSRRAJ-JTQLQIEISA-N 463.391 6.503 50 10 JKGE C[C@H](CC(F)(F)F)[C@@H](Br)c1c(Br)sc(Br)c1Cl 1923048060 FDIBNBOJQSBKPX-NQXXGFSBSA-N 479.381 6.951 50 10 JKGE C[C@@H]([C@@H](Br)c1c(Br)sc(Br)c1Cl)C(C)(C)C 1923048934 JOFWHANDYKWBEV-CAHLUQPWSA-N 453.465 7.045 50 10 JKGE C[C@@H](C1CCC1)[C@@H](Cl)c1c(Br)sc(Br)c1Br 1924609545 ZKHPGCVDBOJHAM-SSDLBLMSSA-N 451.449 6.752 50 10 JKGE Brc1sc(Br)c([C@H](Br)[C@H]2C[C@@H]2C2CC2)c1Br 1924612764 NNKMWQORACIQDT-GKROBHDKSA-N 493.884 6.518 50 10 JKGE C[C@@H]1COc2ccc([C@@H](Br)c3c(Br)cccc3Br)cc21 1925685443 GUQLVKKFBBHIDZ-JDNHERCYSA-N 460.991 6.192 50 10 JKGE Cc1cc(Br)c([C@@H](Br)C2(Br)CC2)cc1Br 1960901306 XDCUPABKOLWOAK-SNVBAGLBSA-N 461.817 5.884 50 10 JKGE Cc1cc(Br)c(CCl)c(N(CCN(C)Cc2ccccc2)Cc2ccccc2)c1 1961952056 BEPHNDZNIWXDPK-UHFFFAOYSA-N 471.870 6.635 50 10 JKGE Clc1cc(Br)cnc1CN(Cc1ccccc1)[C@H](CBr)C1CC1 1986200258 CPQPRNTUHFLGIH-GOSISDBHSA-N 458.625 5.673 50 10 JKGE FC1(F)[C@@H]2[C@@H]([C@H](Br)c3sc(Br)cc3Br)CC[C@H]21 1996488468 QUJDIDXUTJFDFF-HFEOUEFNSA-N 450.968 6.000 50 10 JKGE CO[C@@H]1CC[C@@H]1C[C@@H](Br)c1c(Br)sc(Br)c1Cl 2013839204 PLUZEHQAPAZKCJ-FSDSQADBSA-N 467.448 6.178 50 10 JKGE CCc1sc(Br)cc1[C@H](Br)c1ccc(C)c(Br)c1 2030223473 ULKCKCCORYZFCB-CQSZACIVSA-N 453.037 6.628 50 10 JKGE Cc1c(Br)sc([C@@H](Br)[C@H]2COCCC2(F)F)c1Br 2047876500 WKDZPCAXQBRNDX-SVRRBLITSA-N 468.983 5.689 50 10 JKGE Cc1c(Br)sc([C@H](Br)[C@]2(C)CCCC2(F)F)c1Br 2048971929 VZZFVHTWVNVCGU-ONGXEEELSA-N 467.011 6.843 50 10 JKGE Cc1cc(Br)c(CBr)c(N2CCN(Cc3ccccc3)C[C@@H](C)C2)c1 2053201482 BFCDVXMBHVBCMG-QGZVFWFLSA-N 466.261 5.611 50 10 JKGE ClCc1c(Cl)nc(Cl)n1-c1ccc(Cl)c(I)c1Cl 2055099523 FJFXUIVMLOZHAB-UHFFFAOYSA-N 456.325 5.829 50 10 JKGE COc1cc(C)c([C@@H](Cl)c2csc(I)c2)cc1Br 2078000359 ZUVYRQMHEPDMDK-ZDUSSCGKSA-N 457.558 5.760 50 10 JKGE Cc1nn(C)c(Br)c1[C@@H](Cl)c1ccc(Br)cc1Br 2083322200 SFLMMXIOFPLPHC-NSHDSACASA-N 457.391 5.344 50 10 JKGE Clc1cnccc1C[C@@H](Cl)c1ccc(Br)cc1I 2086149498 ONXHHCRSOLULON-LLVKDONJSA-N 456.936 5.625 50 10 JKGE Fc1c(Br)cccc1[C@H](Br)c1cc(C2CC2)c(Br)s1 2094673315 JSVWMLBALFLCAL-LBPRGKRZSA-N 469.011 6.774 50 10 JKGE O=C(c1scc(Br)c1Br)N1C[C@H](Br)CC2(CCC2)C1 2094997325 OBFZHILVZNONBI-MRVPVSSYSA-N 472.040 5.053 50 10 JKGE Clc1cccc(Cl)c1C[C@H](Cl)c1ccc(I)c(Br)c1 2104775904 KWIMGQMPJIJQFK-ZDUSSCGKSA-N 490.393 6.883 50 10 JKGE Cn1nc(COc2c(Br)cc(CCl)cc2Br)cc1Br 2111922613 KPOHNFJGYFQHKX-UHFFFAOYSA-N 473.390 5.025 50 10 JKGE C[C@@H](Br)C12CCC(CC1)N2Cc1cc(Br)ccc1Br 2118532239 NPNDUOULNKTXNZ-ZZJLNTIPSA-N 452.028 5.492 50 10 JKGE Cc1ccc([C@@H](Br)c2c(Br)nn(C)c2C)c(C)c1Br 2131600438 VFFYJJIFUPQECZ-CYBMUJFWSA-N 451.000 5.355 50 10 JKGE O=C(c1scc(Br)c1Br)N1CC[C@H](CBr)C12CCC2 2133800596 ZTMUKQKZKCNJRT-MRVPVSSYSA-N 472.040 5.053 50 10 JKGE Cc1c(Br)ccc([C@H](Br)C[C@@H]2C[C@H]3CC[C@H]2C3)c1Br 2138876658 RSRARIOSIWXHMC-JUFZMCDQSA-N 451.040 6.782 50 10 JKGE Cc1cc(C)c([C@H](Br)c2ccc(Br)cc2I)c(C)c1 2142286018 AQKQNUCBGPWUFA-MRXNPFEDSA-N 494.008 6.463 50 10 JKGE Cc1oc(Br)cc1[C@H](Br)c1cc(Br)c2c(c1)C[C@H](C)O2 2146625421 AHIIXKMGEDPPQG-JKYUHCHBSA-N 464.979 5.921 50 10 JKGE CC[C@@](CBr)(Cc1cccc(Br)c1Br)c1ccccc1 2148751349 JYHDLAQPIQYQJY-KRWDZBQOSA-N 461.035 6.497 50 10 JKGE O=[N+]([O-])c1ccccc1C[C@@H](Br)c1c(Br)cccc1Br 2150504497 XHKYCOYIKRWSBK-GFCCVEGCSA-N 463.951 5.799 50 10 JKGE C[C@@H](c1cccs1)N(Cc1ccccc1)c1cc(C(F)(F)F)ccc1CBr 2155758429 DQJVQWDBMLQKBD-HNNXBMFYSA-N 454.355 7.430 50 10 JKGE CC[C@@H]1CN(C(=O)OCc2ccccc2)[C@H](CC)CN1CCCCCCCCCBr 2162988597 QKWZKZPEBBGZMV-DNQXCXABSA-N 481.519 6.624 50 10 JKGE ClCCc1nc2cc(Cl)c(Br)cc2n1C[C@@H]1CCN(Cc2ccccc2)C1 2169015133 IMNCDDWTJGAVLR-MRXNPFEDSA-N 467.238 5.756 50 10 JKGE C[C@@H]1OCC[C@@H]1CCC(CBr)(CBr)c1ccc(Br)cc1 2196312975 DJEZTSIAJITQEV-STQMWFEESA-N 469.055 5.682 50 10 JKGE Fc1cc(Br)c([C@@H](Cl)c2c(Cl)cccc2Br)c(F)c1Cl 2201607889 ILFVCZJCYVHREE-LBPRGKRZSA-N 465.346 7.125 50 10 JKGE COc1cc2c(cc1Br)nc(CCl)n2CC[C@H](C)N(C)Cc1ccccc1 2202318381 GJNYTRXMDREHFT-HNNXBMFYSA-N 450.808 5.457 50 10 JKGE COc1cc(F)c([C@H](Br)c2cc(Br)ccc2F)cc1Br 2202904162 NUNMVOXQTDJKRN-CQSZACIVSA-N 470.933 5.983 50 10 JKGE Cc1c(Br)ccc([C@H](Br)[C@@H]2[C@H]3CC[C@@H](C3)C2(C)C)c1Br 2203692303 MSNLKNXMUFNNPK-KHJVZFFJSA-N 465.067 7.028 50 10 JKGE FC1(F)CCC[C@@H]1[C@@H](Br)c1c(Br)cc(Cl)c(Cl)c1Cl 2224302408 LIZCBGPWACPTGZ-MLUIRONXSA-N 457.367 7.281 50 10 JKGE C[C@@H](C[C@@H](Br)c1c(Br)cc(Cl)c(Cl)c1Cl)C(F)(F)F 2224317971 SKCYDOOYCIZVFJ-CRCLSJGQSA-N 463.346 7.434 50 10 JKGE Clc1cc(Br)ccc1C[C@@H](Br)c1c(Cl)sc(Cl)c1Cl 2229147559 LSNJRJSPUJWEHV-SSDOTTSWSA-N 483.867 7.803 50 10 JKGE COc1ncc(COc2c(Br)cc(CBr)cc2Br)s1 2231428810 YDIHENZXORSPPI-UHFFFAOYSA-N 471.996 5.151 50 10 JKGE Clc1cccc([C@@H](Cl)c2c(Br)cc(Cl)c(Cl)c2Cl)c1Cl 2232514117 SXQVQRRDPLRXKC-LLVKDONJSA-N 453.805 8.044 50 10 JKGE CCOCc1cc(Br)c([C@@H](Br)c2ccc(Br)cc2C)s1 2233018722 FQSANTULKBYLFO-AWEZNQCLSA-N 483.063 6.602 50 10 JKGE CCCCCCc1ccc([C@@H](Br)c2cccc(I)c2)s1 2234125661 CYMQFZAYVNOOIH-KRWDZBQOSA-N 463.222 6.960 50 10 JKGE Cc1cc([C@@H](Cl)c2cc(Br)c(Br)cc2F)cc(C)c1Br 2235683684 OVWBDVALTPRNRA-OAHLLOKOSA-N 485.416 7.058 50 10 JKGE Fc1cc(F)c([C@@H](Br)c2c(F)cccc2Br)c(F)c1Br 2236106390 CUTUHYQTXJVJPJ-LBPRGKRZSA-N 476.887 6.252 50 10 JKGE FC(F)(F)Oc1ccc(Cl)cc1[C@H](Br)c1csnc1Br 2239623910 FEMFRYOWODMLGN-VIFPVBQESA-N 451.489 5.942 50 10 JKGE Brc1cc([C@@H](Br)Cc2cnsc2)ccc1I 2242937886 AKZNTKUFAOEGSM-VIFPVBQESA-N 472.971 5.189 50 10 JKGE Cl[C@H](Cc1cc(Br)cc(Br)c1)c1ncsc1Br 2252838052 YNARNFXXDMMTDT-SECBINFHSA-N 460.416 5.953 50 10 JKGE Cc1sc([C@@H](Cl)c2c(Br)cccc2Br)c(Br)c1C 2253508840 JXUNNMQYFPXINW-LBPRGKRZSA-N 473.455 6.981 50 10 JKGE Clc1ccc(Cl)c([C@H](Br)c2ccc(Cl)c(I)c2)c1 2256335256 GYUXBVIJGYTNIR-CYBMUJFWSA-N 476.366 6.736 50 10 JKGE CN(C[C@H](Br)COCc1ccccc1)C(=O)c1cc(Br)c(F)cc1Cl 2258088875 YDRFXPWFNCPXPQ-ZDUSSCGKSA-N 493.598 5.294 50 10 JKGE COc1cc(C)c(Cl)cc1[C@H](Br)c1sccc1I 2263460619 LFVAPLBELGQFOU-LBPRGKRZSA-N 457.558 5.807 50 10 JKGE C[C@]1([C@@H](Br)c2c(F)cc(Br)c(F)c2Br)CCCOC1 2272747856 ORGBCRRGFLOROG-STQMWFEESA-N 462.954 5.743 50 10 JKGE COc1c(Br)cc(Cl)c(C)c1[C@H](Br)c1cc(Br)sn1 2277882833 GLNODORFAKLQNY-LLVKDONJSA-N 490.442 6.123 50 10 JKGE C[C@H]1C[C@@H]([C@@H](Br)Cc2cc(Br)cc(Br)c2)C[C@@H](C)O1 2277962942 NYMTWPPIQPUKIP-MAWWSGROSA-N 455.028 5.721 50 10 JKGE Clc1ccc(I)cc1O[C@H]1C[C@H](Br)C12CCCCCC2 2288258365 VOWZZIAECDFZCS-GJZGRUSLSA-N 469.588 6.200 50 10 JKGE CC1(C)CCC[C@H]([C@@H](Br)c2c(F)cc(Br)c(F)c2Br)C1 2288347848 YWQCBIRSIJMINU-QPUJVOFHSA-N 475.009 7.142 50 10 JKGE CCOC(=O)C(C#N)=Cc1cc(OC)c(OCc2ccc(Cl)c(Cl)c2)cc1Br 2294175276 QYUSCUGKGBVNLK-UHFFFAOYSA-N 485.161 5.814 50 10 JKGE Cc1cccc(CC[C@H](Br)Cc2cc(Br)cc(Br)c2)c1 2295337605 MCMZWAMUYHIOMB-HNNXBMFYSA-N 461.035 6.459 50 10 JKGE CCCCc1ccc(C[C@H]2SC(=C(C#N)C(=O)NCc3ccccc3)N(c3ccccc3)C2=O)cc1 2296506785 FEQOLZOWRZRLTK-HHHXNRCGSA-N 495.648 5.772 50 10 JKGE C[C@@H]1C[C@@H]([C@@H](Br)c2cc(Br)ccc2OCc2ccccc2)CCO1 2299488860 KJYOYYALKVXROE-PTSWNOGYSA-N 454.202 6.279 50 10 JKGE COc1ccc(C=C(C#N)C(=O)Nc2cccc(Cl)c2Cl)cc1OCc1ccccc1Cl 2313630748 GEFDFNWIZWIZPQ-UHFFFAOYSA-N 487.770 6.780 50 10 JKGE C[C@H](NC(=O)C(C#N)=Cc1cc(Br)ccc1OCc1ccc(Cl)cc1)c1ccccc1 2313676621 LGMDUKMIHJKZEB-KRWDZBQOSA-N 495.804 6.466 50 10 JKGE FC(F)(F)CC1([C@@H](Br)c2cc(Br)ccc2OCc2ccccc2)CC1 2314440401 PGENKTHCTPVJQA-KRWDZBQOSA-N 478.146 7.197 50 10 JKGE Brc1cc(OCc2ccccc2)ccc1[C@H](Br)[C@@H]1CO[C@H]2COC[C@H]12 2314497115 HSHFXRIKQAOIRI-JYBIWHBTSA-N 468.185 5.126 50 10 JKGE CCc1nc([C@@H](Br)c2c(Cl)sc(Cl)c2C)c(Br)s1 2314526042 QFQUJVYNVIXTDX-ZETCQYMHSA-N 450.048 6.629 50 10 JKGE CCOc1ccc(N2C(=O)[C@@H](Cc3ccccc3)SC2=C(C#N)C(=O)Nc2ccc(C)cc2)cc1 2314592188 NNNKILCZRJVWJS-RUZDIDTESA-N 483.593 5.459 50 10 JKGE CCc1ccc(C[C@@H]2SC(=C(C#N)C(=O)NCc3ccco3)N(c3ccc(C(C)C)cc3)C2=O)cc1 2314592900 DGDDYELNMIXVRO-SANMLTNESA-N 499.636 5.708 50 10 JKGE COC(C)(C)C1([C@H](Br)c2cc(Br)ccc2OCc2ccccc2)CC1 2320578205 OWXWTDCAAOBVKF-LJQANCHMSA-N 468.229 6.669 50 10 JKGE CCOc1cc(C=NNC(=O)c2ccccc2O)ccc1OCc1c(Cl)cccc1Cl 2323094321 BHLQPMQCRUHWFN-UHFFFAOYSA-N 459.329 5.441 50 10 JKGE COc1ccccc1-c1csc(C(C#N)=C(O)c2ccc3c(c2)C(=O)N(C(C)(C)C)C3=O)n1 2331281775 QLRFBJAQZCBWEB-UHFFFAOYSA-N 459.527 5.163 50 10 JKGE CCCCc1ccc(N2C[C@@H](C(O)=C(C#N)c3nc(-c4cccc(Cl)c4)cs3)CC2=O)cc1 2331294073 MVYRLKFBSZVRGG-IBGZPJMESA-N 478.017 6.652 50 10 JKGE COc1c(Cl)cc(Cl)cc1-c1csc(C(C#N)=C(O)Cc2ccc(Cl)c(Cl)c2)n1 2331362541 WTTCBCJESUUGGS-UHFFFAOYSA-N 486.207 7.468 50 10 JKGE N#CC(=Cc1ccc(OCc2ccccc2Cl)cc1)c1nc(-c2ccccc2Cl)cs1 2331430559 JVMXPUYKYREQBO-UHFFFAOYSA-N 463.389 7.760 50 10 JKGE CCCCOc1ccc(C=C(C#N)c2nc(-c3cc(C)c(Cl)cc3OC)cs2)cc1OCC 2331474216 NVGNMCNUDQKACF-UHFFFAOYSA-N 483.033 7.422 50 10 JKGE Cc1cc(Br)c([C@@H](Br)[C@@H]2COC3(C)CC2C3)cc1Br 2337684238 XESUWZWHMXSXKD-ZNQIKMMHSA-N 453.012 5.771 50 10 JKGE Clc1cc(I)c([C@H](Br)[C@@H]2CCc3ccccc3C2)s1 2338773984 SUOGXASXQOWYLE-BXUZGUMPSA-N 467.597 6.247 50 10 JKGE Cc1cc(Br)c(F)c(Br)c1[C@H](Br)[C@@H]1C[C@@H]2CCC[C@@H]21 2339654666 UHHVNPHKAUKCJB-QISWUMQESA-N 455.003 6.531 50 10 JKGE Cc1cc(Br)c(F)c(Br)c1[C@@H](Br)[C@H]1COCC1(C)C 2339657890 CKZHKMHXWLFLSU-KCJUWKMLSA-N 458.991 5.768 50 10 JKGE BrC[C@@H]1CN(Cc2ccc(I)c(Br)c2)CC12CCC2 2349858395 QZODDVXBGADVNB-GFCCVEGCSA-N 499.028 5.051 50 10 JKGE Cc1cc(Br)c(F)c(Br)c1[C@H](Br)[C@@H]1O[C@H]2CC[C@H]1C2 2352553890 OKXANCQQCHQPRK-QHGAOHLJSA-N 456.975 5.663 50 10 JKGE Fc1c(Br)cc(Cl)c([C@H](Br)[C@@H]2C[C@@H]3CCCC[C@@H]32)c1Br 2362227018 ZFOOVFMRRUKARU-NMSKTSORSA-N 489.448 7.266 50 10 JKGE Cc1cc(Br)c(F)c(Br)c1[C@@H](Br)CC12CCC(CC1)C2 2365189243 SMSCFGKBUHMHLL-YWFMTQBDSA-N 469.030 7.066 50 10 JKGE Cc1cc(Br)c(F)c(Br)c1[C@H](Cl)c1cccc(F)c1Br 2365189535 VZVVCRJFMAFTDW-CYBMUJFWSA-N 489.379 6.889 50 10 JKGE Cc1cc(Br)c(F)c(Br)c1[C@H](Br)[C@@H]1CCCCC12CC2 2365193179 ZHDSLZQUHJLJHT-GXFFZTMASA-N 469.030 7.066 50 10 JKGE Cc1cc(Br)c(F)c(Br)c1[C@@H](Br)[C@@]12CC[C@@H](C1)[C@H](C)O2 2365194221 PEHPVYUSKMDANV-PVFTVIPPSA-N 471.002 6.053 50 10 JKGE COc1c(Br)cc(C)c([C@H](Br)[C@@H]2CCC[C@@H](C)O2)c1Br 2365196538 NFMOKQKZHRNSEW-SUZMYJTESA-N 471.027 5.922 50 10 JKGE Fc1cc(Cl)c([C@@H](Br)Cc2ccc(Br)cc2Cl)c(Cl)c1 2366419425 KGZVTCLZCHTPNC-JTQLQIEISA-N 461.383 7.227 50 10 JKGE CC(C)(C)[C@@H]1CC[C@H](Cl)[C@@H](Cc2ccc(I)c(Br)c2)C1 2377293394 YXQOFLSZVJELPH-GUTXKFCHSA-N 469.632 6.666 50 10 JKGE CC(C)(C)Oc1ccc([C@@H](Br)c2sccc2Br)cc1Br 2381312099 AWNPQGVZXHFRIO-CYBMUJFWSA-N 483.063 6.935 50 10 JKGE O=C(N/N=C/c1ccc(Br)cc1)c1[nH]c2ccc([N+](=O)[O-])cc2c1-c1ccccc1 1883134 WKXSJJGWOUNMPQ-ZMOGYAJESA-N 463.291 5.270 50 10 JKGE O=c1nc(Nc2ccccc2)ccn1/C(=N/[C@@H](Cl)c1ccccc1)C(Cl)(Cl)Cl 3102008 ZEHRKWKTQWKYAD-MSZQUAHTSA-N 456.160 5.541 50 10 JKGE biogenic CCCCCCOc1ccc(C(=O)NNC(=O)c2ccccc2Cl)cc1Br 14640681 FLRMLALBYUYOFK-UHFFFAOYSA-N 453.764 5.136 50 10 JKGE Cc1ccc(N2C(=O)[C@@H](Cc3cccc(C)c3)S/C2=C(\C#N)C(=O)NCc2ccccc2)cc1 16739740 BTHDPJFUJIGDIJ-NJEMLTPYSA-N 467.594 5.046 50 10 JKGE N#C/C(=C/c1ccc(-n2nc(-c3ccccc3)cc2-c2ccccc2)cc1)S(=O)(=O)c1ccccc1 29490949 ZHNKDTAIVYPHKG-RRAHZORUSA-N 487.584 6.545 50 10 JKGE O=C(CSc1nc2ccccc2s1)N/N=C/c1cccc(OCc2ccccc2F)c1 32520698 ZWGFMTSJCTXJNW-DHRITJCHSA-N 451.548 5.257 50 10 JKGE CCCOc1ccc(-c2nn(-c3ccccc3)cc2/C=C(\C#N)c2nc(O)c3ccccc3n2)cc1 34983885 YHBRNGUUXFKYIY-HEHNFIMWSA-N 473.536 6.041 50 10 JKGE CCCOc1ccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)Cc4ccc(Cl)cc4)ccc32)cc1 38650727 GBYOMQULZKACNW-AREMUKBSSA-N 474.944 5.495 50 10 JKGE CCc1ccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)COc4ccc(Cl)c(C)c4)ccc32)cc1 38677356 AVHWLBMWERMSHF-AREMUKBSSA-N 474.944 5.413 50 10 JKGE N#CC1=C(N)Oc2cc(OC(=O)c3ccccc3Cl)ccc2[C@H]1c1c(Cl)cccc1Cl 38679513 KMLMJHDRRRJSIV-HXUWFJFHSA-N 471.727 6.084 50 10 JKGE CCCOc1cccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4ccc(OC(C)C)cc4)ccc32)c1 38684439 BXXDJZXWKMQAAI-MHZLTWQESA-N 484.552 5.700 50 10 JKGE CCCOc1cccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4ccc(OCC(C)C)cc4)ccc32)c1 38684451 MHZMAWABBSJLEY-NDEPHWFRSA-N 498.579 5.948 50 10 JKGE C=CCOc1ccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4oc5ccc(F)cc5c4C)ccc32)cc1 38688585 ZQRQJEIPQPDRNY-AREMUKBSSA-N 496.494 5.883 50 10 JKGE CCOC(=O)c1ccc(-c2ccc(/C=C(/C#N)C(=O)Nc3ccc(Oc4ccccc4)cc3)o2)cc1 58993317 KPIJSRIIKDIQIG-PYCFMQQDSA-N 478.504 6.461 50 10 JKGE CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(CC)cc2)ccc1OCc1ccc(Cl)c(Cl)c1 59232792 CKXLXKBPGYGFNC-FYJGNVAPSA-N 495.406 7.079 50 10 JKGE CCCOc1ccc(-c2nn(-c3ccccc3)cc2/C=C(/C#N)C(=O)N[C@@H](C)c2ccccc2)c(C)c1 96401970 XKGMULGJXTTXRV-CZSUQGFZSA-N 490.607 6.421 50 10 JKGE C=CCOc1ccc(Br)cc1/C=C(/C#N)C(=O)Nc1ccc(Cl)cc1[N+](=O)[O-] 96837253 WRXCFXMRSBVGBI-JYRVWZFOSA-N 462.687 5.121 50 10 JKGE Fc1cc(Br)c(Cl)cc1[C@@H](Cl)c1ccccc1I 97894996 OOVXMAXNLKPLFO-ZDUSSCGKSA-N 459.911 6.174 50 10 JKGE Cc1cc(/C=C(/C#N)C(=O)NC2CCCCC2)c(C)n1-c1ccc(OCc2ccc(C#N)cc2)cc1 101420782 RTECQPRKORWTEX-ONUIUJJFSA-N 478.596 5.901 50 10 JKGE CCCCOc1ccc(/C=N\NC(=O)COc2ccc(C(C)(C)CC(C)(C)C)cc2)cc1OC 101633222 HMEJHHCOWGVSQE-MIXAMLLLSA-N 468.638 6.117 50 10 JKGE CCOC(=O)c1c(N/C=C(/C#N)c2nc(-c3cc4ccccc4oc3=O)cs2)sc2c1CCC2 105069012 DQGRPDPYWOGHFU-QINSGFPZSA-N 489.578 5.620 50 10 JKGE Cc1ccc(C(=O)C/C(=C/C(=C(\C#N)c2ccc([N+](=O)[O-])cc2)c2ccc(C)cc2)c2ccccc2)cc1 106816373 MUOCNSAJVLIYMM-WITODYBWSA-N 498.582 8.003 50 10 JKGE ClCc1nc2cc(Br)ccc2n1-c1ccc(Br)cc1Br 110429271 MZAYZPRWOSBDMP-UHFFFAOYSA-N 479.397 6.052 50 10 JKGE Clc1cccc(C(CBr)(CBr)Cc2ccc(Br)s2)c1 118671600 ZEWDRXCDQKWYNG-UHFFFAOYSA-N 487.482 6.434 50 10 JKGE CCOc1ccc([C@@H](Br)c2cc(Br)ccc2C)c(Br)c1 123755971 BLHUSOKCHBNGAD-MRXNPFEDSA-N 463.007 6.403 50 10 JKGE O=C(NCC1(CBr)CCCCC1)c1cc(Br)c(Br)s1 126051791 QKGRNYDLJRIABM-UHFFFAOYSA-N 474.056 5.348 50 10 JKGE O=C(Nc1cccc(CBr)c1)c1cc(Br)c(Br)s1 139239870 CIRIPJCLHDQKIB-UHFFFAOYSA-N 453.981 5.420 50 10 JKGE O=C(N/N=C/c1ccc(-n2nc(-c3ccccc3)cc2-c2ccccc2)cc1)Nc1ccccc1 169885283 WZLXJEGXWNKSBJ-MWAVMZGNSA-N 457.537 6.362 50 10 JKGE CC[C@H](Br)C(=O)NCc1ccc(-c2nc(-c3ccc(OC)c(OC)c3)cs2)cc1 170483173 GELGGCNPHROBFC-KRWDZBQOSA-N 475.408 5.284 50 10 JKGE CC(C)(C)c1ccc(/C=C\C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@@H]3c2ccc(F)cc2)cc1 205645293 IOTMIVDFDCHKIA-ZFJVXLQESA-N 468.528 5.960 50 10 JKGE COc1cc(F)c(Br)cc1[C@@H](Br)c1ccc(Br)c(C)c1 234863897 BJBCNDDDLKPPJR-HNNXBMFYSA-N 466.970 6.152 50 10 JKGE Cc1nn(-c2ccccc2)c(C)c1-c1cc(C(=O)NN=C/C(Br)=C/c2ccccc2)[nH]n1 263630648 SXYOWFZVBWAIFW-OYZFXQSSSA-N 489.377 5.031 50 10 JKGE Cc1cccc([C@@H](Cl)c2cc(Cl)c(Br)cc2F)c1I 300470797 DFVNKODXVAJYFM-CYBMUJFWSA-N 473.938 6.483 50 10 JKGE Cl[C@@H](c1cc(I)cc2c1OCC2)c1sccc1Br 311007723 QEZCYDNHGSOBIS-NSHDSACASA-N 455.542 5.378 50 10 JKGE O=S(=O)(c1cc(Br)cc(CCl)c1F)N(Cc1ccccc1)Cc1ccccc1 380902652 UGWLNZMNXAIDJF-UHFFFAOYSA-N 482.802 5.718 50 10 JKGE ClCCc1nc2cc(I)ccc2n1-c1ccccc1OCc1ccccc1 381368587 IEJMLMMLUDSJCB-UHFFFAOYSA-N 488.756 5.990 50 10 JKGE Fc1cccc(Cl)c1[C@H](Br)c1scc(C(F)(F)F)c1Br 383765565 IKVJRRGFBWFTCL-JTQLQIEISA-N 452.492 6.806 50 10 JKGE C[C@@H](COCc1ccccc1)n1c([C@@H](C)Cl)nc2cc(I)c(F)cc21 390531196 IRCLNSWCKYVOEO-QWHCGFSZSA-N 472.729 5.858 50 10 JKGE CC(C)[C@H](CN(C)Cc1ccccc1)n1c(CCCl)nc2cc(I)ccc21 397956215 BRRXZJTUXGUBOI-NRFANRHFSA-N 495.836 5.751 50 10 JKGE CC(C)(C)[Si](C)(C)OCCc1ccc([C@@H]2CCc3ccccc3N2Cc2ccccc2)cc1 616668133 RTXWAFKQERZCNE-LJAQVGFWSA-N 457.734 7.945 50 10 JKGE CN(C(=O)OC(C)(C)C)c1ccccc1[C@@H]1CNc2ccccc2N1CCO[Si](C)(C)C(C)(C)C 616686145 IWFSFWTXTOCNDA-VWLOTQADSA-N 497.756 7.053 50 10 JKGE COCc1csc([C@@H](Br)c2cc(Br)sc2Br)c1 689982800 BUGAXDDAVKASIR-JTQLQIEISA-N 461.038 5.965 50 10 JKGE CC(C)(C)N(CCCBr)C(=O)c1cc(Br)ccc1Br 691003686 PPWWZXXFXGOLFX-UHFFFAOYSA-N 456.016 5.237 50 10 JKGE Cc1cc(Br)c([C@@H](Cl)Cc2ccccc2Br)cc1Br 692437993 BNSFEBWDUDOSDX-HNNXBMFYSA-N 467.426 6.805 50 10 JKGE Cc1sc([C@H](Cl)c2ccc(F)cc2I)c(C)c1Br 724986087 WEKNLABWBWSOEU-GFCCVEGCSA-N 459.549 6.199 50 10 JKGE Cc1ccc(-c2ccccc2)n1-c1ccc(C(=O)NN=Cc2cn(CC(=O)O)c3ccccc23)cc1 1083934060 JXKDCXFEENLKKX-UHFFFAOYSA-N 476.536 5.256 50 10 JKGE CCOc1cc(C=NNC(=O)c2cc3ccccc3cc2O)ccc1OC(=O)c1ccc(F)cc1 1084135636 IISPFXCGOARWOS-UHFFFAOYSA-N 472.472 5.066 50 10 JKGE Cc1ccc(COc2ccc(Br)cc2/C=C(/C#N)C(=O)Nc2cccc(C)c2)cc1 1084188308 HJEYLVROSWXFJW-BKUYFWCQSA-N 461.359 6.191 50 10 JKGE O=C(CCCSc1nnc(CCc2ccccc2)n1-c1ccccc1)NN=C/C=C/c1ccccc1 1084312151 AWKXDWPRQZRMNG-RQKRFKDVSA-N 495.652 5.740 50 10 JKGE O=C(NN=C(CNC(=O)c1ccccc1Cl)c1ccccc1)Nc1ccc(OC(F)(F)F)cc1 1088687508 YYDGTFSAVLOEGZ-UHFFFAOYSA-N 490.869 5.194 50 10 JKGE Cc1ccc(NC(=O)c2oc3c(c2C)C(=NNC(=O)c2ccc4ccccc4n2)CCC3)cc1 1772751363 PPUPQHHSBCFFIB-UHFFFAOYSA-N 452.514 5.167 50 10 JKGE Cc1ccc(C(C)C)c(OC(=O)c2oc3c(c2C)C(=NNC(=O)c2ccc4ccccc4n2)CCC3)c1 1772751663 WBLGAINBNLLJBU-UHFFFAOYSA-N 495.579 6.258 50 10 JKGE CCOc1c(C=NNC(=O)CSc2nc(-c3ccc(Cl)cc3)cs2)cccc1OC 1772755068 KMAJFUFRFCKJEM-UHFFFAOYSA-N 461.996 5.113 50 10 JKGE 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)C3=C[C@H](Cl)[C@@]2(O)C1 1848357720 JIXRSUPPSOBQSS-YHYMTOJZSA-N 491.156 7.314 50 10 JKGE Cc1ccc(Cn2nc(-c3ccccc3)c3c2OC(N)=C(C#N)[C@@H]3c2cccc(Br)c2)cc1 1865683395 CHVNSYBYGIGIAC-QHCPKHFHSA-N 497.396 5.888 50 10 JKGE COc1ccc(-c2nn(-c3ccccc3)c3c2[C@H](c2ccc(C(C)C)cc2)C(C#N)=C(N)O3)cc1 1865685244 GWLOQODGKFTOER-RUZDIDTESA-N 462.553 5.889 50 10 JKGE N#CC1=C(N)Oc2c(c(-c3ccccc3)nn2Cc2ccccc2)[C@@H]1c1cc(Br)ccc1O 1865695299 BGZWZKISZPPEEM-JOCHJYFZSA-N 499.368 5.285 50 10 JKGE COc1ccc(-c2nn(Cc3ccccc3Cl)c3c2[C@@H](c2ccccc2OC)C(C#N)=C(N)O3)cc1 1865709928 KGLBEDQCXGZROE-DEOSSOPVSA-N 498.970 5.487 50 10 JKGE CCc1nn(-c2ccc(Cl)c(Cl)c2)c2c1[C@@H](c1ccc(Br)cc1)C(C#N)=C(N)O2 1865715115 WMWHAIJQDUDGJL-SFHVURJKSA-N 490.188 5.722 50 10 JKGE COc1ccc(-c2ccc(C(=O)NNC(=O)CC(c3ccccc3)c3ccccc3)c(C)n2)cc1 1865757208 RHMHLWIFGNHQSK-UHFFFAOYSA-N 465.553 5.049 50 10 JKGE CCCCCCOc1ccc(/C=C(\C#N)c2nc(O)c3cc(OC)c(OC)cc3n2)cc1OC 1872727469 CRZFFDLNBPCPQE-LDADJPATSA-N 463.534 5.384 50 10 JKGE CCOc1cc(/C=C(\C#N)c2ccc(Cl)cc2F)ccc1OCc1ccc(Br)cc1 1872729432 JTXFMJKBCBUMSA-WOJGMQOQSA-N 486.768 7.283 50 10 JKGE COc1ccc(/C=C/C(O)=C(\C#N)c2nc(-c3cc(C(C)(C)C)ccc3OC)cs2)c(OC)c1 1872751996 YPHPUOPZFPCRKN-ARDXNMSASA-N 476.598 6.639 50 10 JKGE COc1ccc(C(C)(C)C)cc1-c1csc(/C(C#N)=C(\O)c2c(Cl)ccc(Cl)c2OC)n1 1872752007 ZCECSOPFVYDGHS-QNGOZBTKSA-N 489.424 7.381 50 10 JKGE CCCCCCCOc1ccc(-c2csc(/C(C#N)=C(\O)c3ccc(OC)c(OC)c3)n2)cc1 1872753298 QEWXROYEOVIWPT-ROMGYVFFSA-N 478.614 7.126 50 10 JKGE CCCCCCCOc1ccc(-c2csc(/C(C#N)=C(\O)Cc3ccccc3Cl)n2)cc1 1872753405 VLJNUIMXSQOOIN-LVWGJNHUSA-N 467.034 7.848 50 10 JKGE COc1c(Cl)cc(Cl)cc1-c1csc(/C(C#N)=C(\O)c2ccccc2Br)n1 1872754589 ZVUWSTFHFXERCJ-LGMDPLHJSA-N 482.186 6.838 50 10 JKGE CCOC(=O)Oc1ccc(/C(O)=C(\C#N)c2nc(-c3ccc(OC)cc3OC)cs2)cc1 1872755147 ADMYMXHJDAAADS-UZYVYHOESA-N 452.488 5.312 50 10 JKGE COc1ccc(-c2csc(/C(C#N)=C(\O)c3ccc(Cl)c([N+](=O)[O-])c3)n2)c2ccccc12 1872758863 UMHHKWVJIKYZQS-XLNRJJMWSA-N 463.902 6.483 50 10 JKGE N#C/C(=C\c1ccccc1OCc1ccccc1Cl)c1nc(-c2ccc(Cl)c(Cl)c2)cs1 1872790534 PIUFDBIEVZFOLD-YBFXNURJSA-N 497.834 8.413 50 10 JKGE N#C/C(=C\c1ccc(OCc2ccccc2)cc1)c1nc(-c2ccc3c(c2)OCCO3)cs1 1872791660 NRFSXQSLEJEKNT-HYARGMPZSA-N 452.535 6.224 50 10 JKGE N#C/C(=C\c1cc(Br)ccc1F)c1nc(-c2ccc(Oc3ccccc3)cc2)cs1 1872793217 NVHVDEWWLVMJCF-LDADJPATSA-N 477.358 7.568 50 10 JKGE COc1cc(OC)c(-c2csc(/C(C#N)=C/c3ccc(C(F)(F)F)cc3)n2)cc1Cl 1872793562 HACARBVRDXFNSA-NTUHNPAUSA-N 450.869 6.564 50 10 JKGE CC[C@@H]1C[C@H]1C[C@H](Cl)c1c(Br)sc(Br)c1Br 1902788646 NJCIRFDPYLDDOT-VQVTYTSYSA-N 451.449 6.752 50 10 JKGE CC(C)(CBr)N(Cc1ccccc1)C(=O)c1ccc2cc(Br)ccc2c1 1915766073 UJGZXEUMHCYZQR-UHFFFAOYSA-N 475.224 6.418 50 10 JKGE O=C(c1cc(Br)c(Br)s1)N1CC[C@@]2(CCC[C@@H]2Br)C1 1918917266 RVGMKIRDYKQCDM-GWCFXTLKSA-N 472.040 5.053 50 10 JKGE Cc1c(Br)sc([C@@H](Br)[C@@H]2C[C@H](C)O[C@H](C)C2)c1Br 1922921380 QBMICSNANKNCCN-QJSROADHSA-N 461.057 6.221 50 10 JKGE Cc1c(Br)cccc1[C@@H](Cl)c1sc(Br)cc1Br 1922938776 FSRVDFXVSOHIEE-LLVKDONJSA-N 459.428 6.672 50 10 JKGE Brc1cccc(Br)c1CNCCCCCCI 1945327581 QQHXNLFZXWLQBQ-UHFFFAOYSA-N 475.006 5.297 50 10 JKGE Clc1ccc([C@H](Br)c2sc(Cl)cc2Br)c(Br)c1 1948823166 LDEQFJXUYOIISJ-JTQLQIEISA-N 479.846 7.064 50 10 JKGE CC(C)(C)OC(=O)N1CC(N(Cc2ccccc2)CC2(CBr)CCCCCC2)C1 1959574324 CYHDZXKWAIDINJ-UHFFFAOYSA-N 465.476 5.843 50 10 JKGE ClC[C@H](OCc1cc(Cl)ccc1Br)[C@@H](I)CCl 2022699256 QZZNOQYEQZRUPG-QWRGUYRKSA-N 472.375 5.269 50 10 JKGE COc1sc([C@H](Br)Cc2ccc(Br)cc2)cc1Br 2034630494 WJIBLVCXMAYAFI-SNVBAGLBSA-N 455.009 5.960 50 10 JKGE CC1(C)CC2(CC([C@@H](Br)c3cc(Br)c(Br)s3)C2)C1 2039421189 KDMPTCRRZYMASZ-LLVKDONJSA-N 457.069 6.926 50 10 JKGE Brc1cc([C@@H](Br)[C@H]2CCn3ccnc3C2)sc1Br 2046634026 OLFITQKRPQVGEG-CPCISQLKSA-N 455.013 5.168 50 10 JKGE O=C(N[C@@H]1CCCC[C@H]1CCBr)c1csc(Br)c1Br 2093942569 VJNSWBKAXIWGOO-WCBMZHEXSA-N 474.056 5.347 50 10 JKGE CN(c1ccc(CBr)c(Br)c1)[C@H]1C[C@@H]2CC[C@H](C1)N2Cc1ccccc1 2094899737 DRTRMVIIQBEQRH-WKCHPHFGSA-N 478.272 5.976 50 10 JKGE C[C@H](CCBr)N(Cc1ccccc1)C(=O)c1cc(Br)cc(C(F)(F)F)c1 2115770970 GDEBGHMFJZRVCM-CYBMUJFWSA-N 493.161 6.284 50 10 JKGE C[C@@H](C1CC1)N(Cc1ccccc1)S(=O)(=O)c1cc(Cl)cc(CBr)c1F 2123268004 JSAMDGYVLMQVKR-ZDUSSCGKSA-N 460.796 5.363 50 10 JKGE Cc1cc(Br)c(C)c([C@H](Br)CC[C@@H]2CCCO2)c1Br 2136379791 OCZLMEGXQHHHSS-NWDGAFQWSA-N 455.028 6.224 50 10 JKGE CC(F)(F)CCCCOc1c(Br)cc(Br)cc1CBr 2136860223 PUYPYQUQKYVAHH-UHFFFAOYSA-N 464.970 6.311 50 10 JKGE Cn1cc([C@H](Br)c2c(Br)cc(F)c(Cl)c2F)nc1Br 2136958344 IVDILIZDPZCUEI-QMMMGPOBSA-N 479.344 5.361 50 10 JKGE Cc1cc([C@H](Br)c2ccc(Br)cc2I)cc(C)c1F 2142288158 QSVPUEMCZMIJFC-AWEZNQCLSA-N 497.971 6.294 50 10 JKGE Clc1cccc([C@H](Br)CCc2ccc(I)c(Cl)c2)c1 2142939185 FCKSHUBPMPJZLI-CYBMUJFWSA-N 469.975 6.667 50 10 JKGE C[C@@H]1Cc2cc([C@H](Br)c3ccc(Br)cc3)cc(Br)c2O1 2146630339 WEZJSBMTHMSQPK-RFAUZJTJSA-N 460.991 6.019 50 10 JKGE C[C@@H]1CCC[C@@](CBr)(NC(=O)c2cccc(Br)c2Br)C1 2148770503 PBJOEEAMNGROHW-MEBBXXQBSA-N 468.027 5.285 50 10 JKGE C[C@@H](Br)C[C@@H]1CCCCN1C(=O)c1c(Br)cccc1Br 2150489341 BLACFRXBMPHSJS-MNOVXSKESA-N 468.027 5.380 50 10 JKGE O=C1Cc2cc([C@@H](Br)c3c(Br)cccc3Br)ccc2N1 2150495223 WCLSDXSDVNKJSP-OAHLLOKOSA-N 459.963 5.191 50 10 JKGE Cn1nc([C@@H](Br)c2scc(C(F)(F)F)c2Br)c(Cl)c1Cl 2150719295 XWRSIGXHZCZVKF-RXMQYKEDSA-N 472.939 6.054 50 10 JKGE ClCc1nc2cc(Br)c(Cl)cc2n1Cc1ccsc1Br 2159870369 FEHCQMVDHKIODF-UHFFFAOYSA-N 455.002 6.063 50 10 JKGE COc1cc(C)c(Br)cc1[C@H](Br)c1nn(C)c(Br)c1C 2168216951 XSMWNLOMJDSRBW-LBPRGKRZSA-N 466.999 5.055 50 10 JKGE FC1(F)C[C@@H](n2c(CCl)nc3cc(Br)ccc32)CN(Cc2ccccc2)C1 2184259809 DEHLXHCFNYMUHA-MRXNPFEDSA-N 454.746 5.620 50 10 JKGE CCc1nn(C)c([C@@H](Br)c2cc(Br)ccc2OC)c1Br 2192384655 JIAVCXNQTAQAFV-LBPRGKRZSA-N 466.999 5.000 50 10 JKGE Cc1ccc(C[C@H](Br)c2ccc(Br)c(C)c2Br)cc1C 2203684981 IQUBPHVRQKGLLE-INIZCTEOSA-N 461.035 6.816 50 10 JKGE Cc1c(Br)ccc([C@H](Br)[C@H]2C[C@@H]2c2ccccc2)c1Br 2203690244 ZVMOZIDWYOHKMI-KEYYUXOJSA-N 459.019 6.760 50 10 JKGE Cc1nsc(Br)c1[C@@H](Br)c1c(C)sc(Br)c1C 2213630036 MDTSZTSRVPQQCM-VIFPVBQESA-N 460.054 6.139 50 10 JKGE Cc1cc(Br)c([C@@H](Cl)c2sc(C)c(Br)c2C)cc1Br 2226085397 AEXFXHKQZIJJKN-CYBMUJFWSA-N 487.482 7.289 50 10 JKGE C[C@@H]1CCC[C@@H]([C@H](Br)c2c(Br)cc(Cl)c(Cl)c2Cl)O1 2226836573 ZJJLCYOZQCFOAV-PUMQYWBSSA-N 451.413 6.803 50 10 JKGE CCN(C[C@](C)(CI)O[C@H]1CC[C@@H](C(F)(F)F)CC1)C(=O)OC(C)(C)C 2231398341 FTCAWRRAIIBRBD-VBQJREDUSA-N 493.348 5.575 50 10 JKGE Clc1cc(Br)c([C@H](Cl)c2c(Cl)cccc2Br)c(Cl)c1Cl 2232511129 JJYAPRYLGYOENC-GFCCVEGCSA-N 498.256 8.153 50 10 JKGE Clc1cc(Br)c([C@@H](Br)[C@H]2CCCC3(CC3)C2)c(Cl)c1Cl 2232518007 YPAOKDBQVQKNLE-UFBFGSQYSA-N 461.452 7.816 50 10 JKGE COc1c(Cl)cc(Br)cc1[C@H](Cl)c1ccc(C)c(I)c1 2232834103 GZZGQFGGBMNKLA-CQSZACIVSA-N 485.974 6.352 50 10 JKGE ClCc1nc2cc(Br)c(Br)cc2n1Cc1ccc(Br)o1 2234067700 NRTSQERQVYBKJU-UHFFFAOYSA-N 483.385 5.704 50 10 JKGE Cc1cc(Br)c([C@H](Br)[C@@]23CCC[C@@H]2OCC3)c(C)c1Br 2235612019 MNDWAAWTYREYOP-VBNZEHGJSA-N 467.039 6.224 50 10 JKGE CC(C)(C)OC(=O)N1CCC[C@@](CI)(OCC23CC4CC(CC(C4)C2)C3)C1 2240698140 ILIYQSGFHNHZFN-TXSRUQCCSA-N 489.438 5.424 50 10 JKGE Fc1cc([C@H](Cl)c2sc(Br)cc2Br)c(Cl)cc1Br 2255967392 FLYPQEHKMCUONN-JTQLQIEISA-N 497.836 7.156 50 10 JKGE Clc1cccc([C@@H](Cl)c2c(Cl)sc(Br)c2Cl)c1Br 2256125190 JDTXICSSCOAYII-MRVPVSSYSA-N 469.840 7.562 50 10 JKGE C[C@H]1C[C@H]1CCCCOc1c(Br)cc(Br)cc1CBr 2265725898 RXIHYSRXJAQLPX-WDEREUQCSA-N 455.028 6.312 50 10 JKGE Cc1cc([C@@H](Br)c2ccc(Cl)c(I)c2)c(Cl)cc1F 2268278484 HAEBTGTXPMHPTI-AWEZNQCLSA-N 473.938 6.530 50 10 JKGE O=[N+]([O-])c1sc(CBr)cc1Oc1cc(I)ccc1Cl 2272638104 BRTXVCZUTGJZQG-UHFFFAOYSA-N 474.501 5.602 50 10 JKGE C[C@](CI)(OC[C@H]1CC[C@H](C)CC1)c1ccccc1Br 2287572870 BZZXYGWUEKIIPY-CKEIUWERSA-N 451.186 5.942 50 10 JKGE Cc1cccc(Br)c1[C@@H](Cl)c1c(F)cc(Br)c(F)c1Br 2288496395 HBTSRGOIMGRNQI-CYBMUJFWSA-N 489.379 6.889 50 10 JKGE Cc1ccc(NC(=O)COc2ccc(C=C(C#N)C(=O)Nc3cc(Cl)ccc3C)cc2)cc1 2294187364 FNMSOUKEANRWCF-UHFFFAOYSA-N 459.933 5.520 50 10 JKGE COc1ccc2nc(C(C#N)=Cc3ccc(OCc4ccccc4F)c(Br)c3)[nH]c2c1 2294284579 HPQVNGPUKADKHZ-UHFFFAOYSA-N 478.321 6.116 50 10 JKGE COc1cc(C=C(C#N)c2cccc(F)c2)c(Br)cc1OCc1cccc([N+](=O)[O-])c1 2294284750 QYPAKCKTFPTVFA-UHFFFAOYSA-N 483.293 6.148 50 10 JKGE Cc1ccccc1NC(=O)C(C#N)=C1S[C@H](Cc2ccc(Cl)cc2)C(=O)N1c1ccccc1 2296506809 GAQVJLPLNWHLTF-HSZRJFAPSA-N 473.985 5.713 50 10 JKGE Cc1cc(C=C(C#N)C(=O)N2CCn3c2nc2ccccc23)c(C)n1-c1cccc2ccccc12 2297382440 SBFNTGGKBQNMQM-UHFFFAOYSA-N 457.537 5.551 50 10 JKGE Brc1ccc(OCc2ccccc2)c([C@H](Br)[C@H]2C[C@@H]3CC[C@H]2C3)c1 2299493942 MMSHVMHCUOSROK-JIYIMXKPSA-N 450.214 6.900 50 10 JKGE BrC[C@]1(Cc2ccc(I)c(Br)c2)CC12CCC2 2306227730 ORRSGNSOAFLWHK-AWEZNQCLSA-N 469.986 5.552 50 10 JKGE Cc1cc(Oc2nc3c(C)cccn3c(=O)c2C=C(C#N)c2nc3ccccc3[nH]2)ccc1Cl 2314436987 WRDNJDAGUJRWRU-UHFFFAOYSA-N 467.916 5.698 50 10 JKGE COc1cccc2cc(-c3nn(-c4ccccc4)cc3C=C(C#N)C(=O)NC3CCCC3)oc12 2314450766 QHFXUTJIOQAGQF-UHFFFAOYSA-N 452.514 5.260 50 10 JKGE Cc1c(F)cccc1[C@@H](Br)c1cc(Br)ccc1OCc1ccccc1 2314452606 OTKXQNMTZGEGOJ-OAQYLSRUSA-N 464.172 6.960 50 10 JKGE O=S1(=O)CCC[C@H]([C@@H](Br)c2ccc(OCc3ccccc3)cc2Br)C1 2314456720 ZDIHPSLXIUICHD-HNAYVOBHSA-N 488.241 5.289 50 10 JKGE N#CC(=Cc1ccc(-c2ccc(Br)cc2)o1)C(=O)Nc1ccc(C(F)(F)F)c(Cl)c1 2314571517 GLIUDBRVYRNZPB-UHFFFAOYSA-N 495.682 6.927 50 10 JKGE CCOC(=O)c1c(NC(=O)C(C#N)=Cc2ccc(-c3ccc(F)cc3)o2)sc2c1CC[C@@H](CC)C2 2314571725 KWVAIKGJALHKOJ-MRXNPFEDSA-N 492.572 6.384 50 10 JKGE CCc1ccc(N2C(=O)[C@@H](Cc3ccc(F)cc3)SC2=C(C#N)C(=O)Nc2cccc(C)c2)cc1 2314591785 DWNBDACSHCVQJM-RUZDIDTESA-N 485.584 5.762 50 10 JKGE COc1ccc(C=CC(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@@H]3c2c(Cl)cccc2Cl)cc1 2314634422 QWLKKGFRGKCLLX-XMMPIXPASA-N 493.346 5.839 50 10 JKGE Fc1c(Br)cc(Cl)c([C@H](Br)[C@H]2CCCOC2)c1Br 2315457372 BRWAPIQULVNWEF-QUBYGPBYSA-N 465.382 5.867 50 10 JKGE COc1cc(C(O)=C(C#N)c2nc(-c3cccc(Br)c3)cs2)cc(OC)c1OC 2331279249 BEGOKXCLEXCMMR-UHFFFAOYSA-N 473.348 5.548 50 10 JKGE CCCCOc1ccc(C(O)=C(C#N)c2nc(-c3cc(C(C)(C)C)ccc3C)cs2)cc1OCC 2331397034 BHCKMEQMXIZRJY-UHFFFAOYSA-N 490.669 7.944 50 10 JKGE CC(C)CN1C(=O)c2ccc(C(O)=C(C#N)c3nc(-c4ccc(Cl)s4)cs3)cc2C1=O 2331400791 VOISPMYAAZORKO-UHFFFAOYSA-N 469.975 5.727 50 10 JKGE COc1cc(C=C(C#N)c2nc(-c3c(C)c(C)cc(C)c3C)cs2)ccc1OCc1ccc(C)cc1 2331468445 MBEPWVANOGLXSF-UHFFFAOYSA-N 494.660 8.004 50 10 JKGE CCOc1ccc(C=C(C#N)c2nc(-c3cc(C)c(Cl)cc3OC)cs2)cc1OCC 2331474346 ZRNGLWIWJOMGSZ-UHFFFAOYSA-N 454.979 6.642 50 10 JKGE CCN(Cc1ccccc1)c1ccc(C=C(C#N)c2nc(-c3ccc(Cl)s3)cs2)cc1 2331484380 IUCSUPSCGPJSQW-UHFFFAOYSA-N 462.043 7.616 50 10 JKGE FC1(F)[C@H]2C[C@@H]([C@H](Br)c3ccc(OCc4ccccc4)cc3Br)CC[C@H]21 2336041074 KYZRGVNXKKBFQG-MKNHVETJSA-N 486.194 7.146 50 10 JKGE CCCc1sc(Br)cc1[C@@H](Br)c1cc(Br)ccc1Cl 2338021982 SQHQFLFKZJEAIG-AWEZNQCLSA-N 487.482 7.363 50 10 JKGE C[C@@]12CC[C@@](CBr)(C1)N(Cc1cc(I)ccc1Cl)C2 2352416575 WUEVIICRQJYWHE-CABCVRRESA-N 454.577 5.084 50 10 JKGE Fc1cc(Br)c(F)c(Br)c1[C@H](Br)[C@@H]1CC[C@@H]2C[C@H]1CO2 2359749283 GCWMXTFZRHYKNG-HIHLCYOISA-N 474.965 5.741 50 10 JKGE Cc1c([C@H](Cl)c2c(F)cc(Cl)c(Br)c2Cl)nn(C)c1Br 2360482681 AVNGCIQIBCRORZ-SNVBAGLBSA-N 465.375 6.028 50 10 JKGE CCCCC1CCC([C@H](Br)c2cc(Br)ccc2OCc2ccccc2)CC1 2361178403 NVCBPNIGBVGSKE-IWRZYZMASA-N 494.311 8.461 50 10 JKGE Clc1ccccc1[C@@H](CBr)OCc1cc(Br)cc(Br)c1 2362240544 PYGQZZLNQUOPIV-OAHLLOKOSA-N 483.425 6.518 50 10 JKGE Cc1cc(Br)c(F)c(Br)c1[C@@H](Br)C(C)(C)C1CCCC1 2365220468 NLZLPFZOVKJXRJ-OAHLLOKOSA-N 471.046 7.312 50 10 JKGE Cc1cc(Br)c(F)c(Br)c1[C@@H](Cl)c1ccc(Cl)cc1Cl 2365224220 VYABGTNEMCAQOE-ZDUSSCGKSA-N 461.383 7.294 50 10 JKGE C[C@H](Cl)CN(C(=O)c1cc(Br)ccc1I)C1CCCC1 2368851856 TVFVINIHNQIYIZ-JTQLQIEISA-N 470.576 5.066 50 10 JKGE CCc1cc(Br)c(OC)c([C@@H](Br)c2cccc(OCc3ccccc3)c2)c1 2381252834 DNKJMBGQMSATRF-QFIPXVFZSA-N 490.235 7.083 50 10 JKGE CC(C)C[C@H](CBr)CN=[S@@](=O)(CCNC(=O)OC(C)(C)C)c1ccccc1 2382176574 WTDDUACOELNPBX-XGCWNURASA-N 461.466 5.095 50 10 JKGE CCOc1ccc([C@@H]2C(C#N)=C3N=C(N)c4ccccc4N3C3=C2C(=O)C[C@@H](c2ccccc2)C3)cc1 3654417 XDXBGKCLMNFUQW-RBTNQOKQSA-N 486.575 5.544 50 10 JKGE O=C(NNC(=O)N1c2ccccc2Sc2ccccc21)C(c1ccccc1)c1ccccc1 13988837 GDZCIJURZJIJEB-UHFFFAOYSA-N 451.551 5.862 50 10 JKGE C[C@@H](Oc1ccc(Cl)cc1Cl)C(=O)Oc1ccc(/C=C(/C#N)c2cccc(Cl)c2)cc1 31901540 BJTMKSUXEIQBQH-JQFNYASXSA-N 472.755 7.084 50 10 JKGE Cc1cccc(C)c1NS(=O)(=O)c1ccc(NC(=O)/C(C#N)=C\c2c(F)cccc2Cl)cc1 33498137 YYDVKZQFKAWTEW-LGMDPLHJSA-N 483.952 5.442 50 10 JKGE COc1ccc(OCC(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@@H]3c2ccc(Cl)cc2Cl)cc1 38655323 STLASURLVXZJFV-XMMPIXPASA-N 497.334 5.205 50 10 JKGE CCc1ccc(OCC(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@H]3c2ccc(Cl)c(Cl)c2)cc1 38656033 JYPMEIBHVBSVDQ-VWLOTQADSA-N 495.362 5.758 50 10 JKGE COc1ccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4cccc5ccccc45)ccc32)c(OC)c1 38657057 JSVSTVUKGDSQRP-MHZLTWQESA-N 478.504 5.294 50 10 JKGE COc1ccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4cc(Cl)c(OC)c(Cl)c4)ccc32)cc1 38687390 OYVUIPMEEHBEPU-QFIPXVFZSA-N 497.334 5.448 50 10 JKGE N#C/C(=C\c1ccc(-c2cc(Cl)cc(Cl)c2)o1)C(=O)Nc1ccc(Cl)cc1Cl 39884611 BNDKFBQEDVEOAX-KPKJPENVSA-N 452.124 7.106 50 10 JKGE Cc1c(C(=O)NCc2ccccc2)oc2c1/C(=N/NC(=O)c1ccc(Cl)cc1Cl)CCC2 40813700 ZCNOKBXVDUAXRC-TURZUDJPSA-N 470.356 5.295 50 10 JKGE COc1cc(/C=N/NC(=O)COc2ccccc2C(C)(C)C)ccc1OCc1ccc(C)cc1 40911167 BUWGJNHICKGXKL-STBIYBPSSA-N 460.574 5.409 50 10 JKGE O=C(Cc1cccc2ccccc12)N/N=C1/C(=O)N(C(c2ccccc2)c2ccccc2)c2ccccc21 59156141 CFTTXMRLJBJDEF-JSLDZMDGSA-N 495.582 6.039 50 10 JKGE Cc1c(Br)cccc1[C@@H](Br)c1cc(Cl)c(Br)cc1F 97895767 IAKKGSHUXCOXFV-CQSZACIVSA-N 471.389 6.797 50 10 JKGE C[C@H](Cl)c1nc2cc(Br)cnc2n1-c1ccc(I)cc1 98039905 RMPUUHGEWQPFIE-QMMMGPOBSA-N 462.516 5.087 50 10 JKGE c1ccc(P(C[C@@H](C2CCCCC2)P(c2ccccc2)c2ccccc2)c2ccccc2)cc1 110318371 MDAHANCDXSBKPT-YTTGMZPUSA-N 480.572 7.201 50 10 JKGE CCOc1ccc(Br)cc1[C@H](Br)c1cc(Br)ccc1C 115746960 RLGPELWAXWROFS-MRXNPFEDSA-N 463.007 6.403 50 10 JKGE FC(F)(F)c1ccc(Br)c([C@@H](Br)c2ccc(Br)s2)c1 159842435 WDQJMDFIGLXLCW-LLVKDONJSA-N 478.953 6.776 50 10 JKGE Fc1ccc2cc([C@H](Br)c3cc(Br)ccc3Br)sc2c1 161235599 GVYVCBUGMCBYGU-OAHLLOKOSA-N 479.006 7.050 50 10 JKGE COc1cc(F)c([C@@H](Br)c2cc(Br)sc2Br)c(F)c1 234988636 GFQHFBYBDJNAQN-NSHDSACASA-N 476.962 6.044 50 10 JKGE Clc1cc(Br)cc([C@@H](Cl)c2csc3c(Br)cccc23)c1 236038973 DAEQRBAECVJHPP-CQSZACIVSA-N 451.010 7.408 50 10 JKGE Clc1cc(Br)cc([C@@H](Br)c2cc(Br)cc3c2OCC3)c1 236057555 PSJALNORAFZPAV-CQSZACIVSA-N 481.409 6.284 50 10 JKGE Clc1ccc(I)c([C@H](Br)c2ccc3c(c2)CCCO3)c1 236084485 MHDNHQSHEKAYJV-MRXNPFEDSA-N 463.540 5.754 50 10 JKGE O=C(COc1cc(Cl)ccc1Cl)NN=Cc1ccc(-c2cccc(Br)c2)o1 252620880 MOKCRUBHTQWGEE-UHFFFAOYSA-N 468.134 5.545 50 10 JKGE CCCOc1ccc(-c2nn(-c3ccccc3)cc2C=NNC(=O)COc2ccc(CC)cc2)cc1 254392381 YOQLBPMRRFMRCD-UHFFFAOYSA-N 482.584 5.420 50 10 JKGE Cc1cccc(C(=O)NN=C2C(=O)N(CN(Cc3ccccc3)Cc3ccccc3)c3ccccc32)c1 254817052 OVFDBVLYNFUGEL-UHFFFAOYSA-N 488.591 5.136 50 10 JKGE CCCCCCCCCC(=O)NN=Cc1ccc(OC(=O)c2ccc(OC)c(OC)c2)cc1 254902581 RSGQYQLNFZLTFY-UHFFFAOYSA-N 454.567 5.514 50 10 JKGE CCN(C[C@](C)(CI)O[C@@H]1CC[C@@H](C)[C@@H](C)C1)C(=O)OC(C)(C)C 303742179 WXYNQUGHLMGTOU-OLMMMNRUSA-N 453.405 5.278 50 10 JKGE CCCOc1ccc([C@H](Br)c2ccc(OCc3ccccc3)cc2)cc1Br 312941343 PTGLQUFNFJVDTC-HSZRJFAPSA-N 490.235 7.301 50 10 JKGE Fc1cc(Br)ccc1[C@@H](Cl)c1scc(C(F)(F)F)c1Br 380056796 AATDMQMRHPHMIX-SNVBAGLBSA-N 452.492 6.759 50 10 JKGE CC(C)(C)OC(=O)N1C[C@H](CBr)[C@H](c2ccc(Cl)c(Br)c2)C1 382678921 ABQDOLOUXWYVAF-RYUDHWBXSA-N 453.602 5.448 50 10 JKGE Fc1ccc(Br)c([C@H](Br)c2scc(C(F)(F)F)c2Br)c1 383833652 SNRQMONNLWIXAQ-VIFPVBQESA-N 496.943 6.915 50 10 JKGE ClCc1nc2cnc3ccccc3c2n1CCCN(Cc1ccccc1)Cc1ccccc1 390493728 QKOWIOWNEUFXSU-UHFFFAOYSA-N 455.005 6.416 50 10 JKGE C[C@H](Cl)c1nc2cnc3ccccc3c2n1CCCN(Cc1ccccc1)Cc1ccccc1 390590200 SBYLAUKORLTKRA-QFIPXVFZSA-N 469.032 6.977 50 10 JKGE C[C@]1(Cn2c(CCCl)nc3cc(I)ccc32)CCN(Cc2ccccc2)C1 394275784 PHDZEGGFDRUMQE-QFIPXVFZSA-N 493.820 5.334 50 10 JKGE Brc1cscc1[C@@H](Br)c1csc2c(Br)cccc12 404724432 XFBXPGHHCGYOFJ-LBPRGKRZSA-N 467.045 6.972 50 10 JKGE COCc1cc(Br)c([C@@H](Cl)c2cc(Br)cc(Br)c2)s1 688079529 OSUVGMSXIOJZBH-LBPRGKRZSA-N 489.454 6.510 50 10 JKGE COCc1cc(Br)c([C@@H](Br)c2cc(Cl)ccc2Br)s1 688145515 NBNGQEMRQWMSNC-LBPRGKRZSA-N 489.454 6.557 50 10 JKGE Cc1cc([C@@H](Br)c2ccc(F)c(Br)c2F)sc1Br 691537260 CJAXLQKWLSWMPD-VIFPVBQESA-N 460.963 6.344 50 10 JKGE CO[C@@](C)(COCc1ccccc1)Cn1c([C@H](C)Cl)nc2ccc(Br)cc21 702782817 FRYBCGYFEGYKEK-YCRPNKLZSA-N 451.792 5.721 50 10 JKGE Cc1ccc([C@H](Cl)c2cc(Br)cc(Br)c2)c(C)c1Br 719572645 GDWAQZTVNMARRD-OAHLLOKOSA-N 467.426 6.919 50 10 JKGE COc1cc(C=NNC(=O)c2ccc(C(C)(C)C)cc2)ccc1OCc1ccc(Cl)cc1 725446021 MOGQUKUTOQGJJD-UHFFFAOYSA-N 450.966 5.989 50 10 JKGE CN(C)P1(N(C)C)=NC(c2ccccc2)=C(C#N)C(=NN(c2ccccc2)c2ccccc2)N1 1076236760 ZFJUNYTUKQSMQZ-UHFFFAOYSA-N 469.533 5.746 50 10 JKGE O=C(NN=Cc1cccc(Oc2ccccc2)c1)c1cccc(NC(=O)c2ccc(F)cc2)c1 1081168697 LZSMDCSZYDGJEV-UHFFFAOYSA-N 453.473 5.634 50 10 JKGE Cc1ccc(COc2ccc(C=NNC(=O)c3ccc(-n4c(C)ccc4-c4ccccc4)cc3)cc2)cc1 1083986213 CAHHGBKBVFZSDS-UHFFFAOYSA-N 499.614 7.104 50 10 JKGE CC[C@H](Oc1ccc2ccccc2c1Br)C(=O)NN=Cc1c[nH]c2ccccc12 1084206191 BINVEVOVYHEGIH-FQEVSTJZSA-N 450.336 5.391 50 10 JKGE O=C(NN=C(c1ccc(Cl)cc1)c1ccc(OC(F)F)cc1)Nc1ccc(Cl)cc1 1088673981 HUPBMIWCIMDHJN-UHFFFAOYSA-N 450.272 6.169 50 10 JKGE CCOC(=O)c1c(NC(=O)NN=Cc2cccc(Oc3ccccc3)c2)sc2c1CC[C@H](C)C2 1772753070 BGKPTDXKDHMNMC-KRWDZBQOSA-N 477.586 5.998 50 10 JKGE N#CC1=C(N)Oc2c(c(C(F)(F)F)nn2-c2ccccc2Cl)[C@@H]1c1cccc2ccccc12 1865682287 LGCWQBIDAUXOKT-LJQANCHMSA-N 466.850 5.916 50 10 JKGE N#CC1=C(N)Oc2c(c(C(F)(F)F)nn2-c2ccc(Cl)cc2)[C@@H]1c1ccc(Cl)c(Cl)c1 1865686359 VJSQSUCHKLDFJC-OAHLLOKOSA-N 485.680 6.069 50 10 JKGE CCCOc1cccc([C@@H]2C(C#N)=C(N)Oc3c2c(CCC)nn3Cc2cccc(Cl)c2)c1 1865694483 WEUSKYBHMMSGAR-HSZRJFAPSA-N 462.981 5.544 50 10 JKGE CCOc1ccc([C@@H]2C(C#N)=C(N)Oc3c2c(-c2ccccc2)nn3-c2cccc(Cl)c2)cc1OC 1865696071 XCQYXHRPJSXAAX-XMMPIXPASA-N 498.970 5.818 50 10 JKGE CCCc1nn(-c2ccccn2)c2c1[C@@H](c1cccc(OCc3ccccc3)c1)C(C#N)=C(N)O2 1865711845 IZTJDCSLZJOOIP-VWLOTQADSA-N 463.541 5.017 50 10 JKGE C/C(=N\NC(=O)c1ccc(-c2ccc(Cl)c(Cl)c2)nc1C)c1ccc(C(C)(C)C)cc1 1865763220 AVQBGQAOPPZIPG-WKULSOCRSA-N 454.401 6.815 50 10 JKGE CCCC[C@@H](NC(=O)C[C@H](c1ccc2c(c1)OCCO2)C1CC1)C(=O)Nc1ccc(SC#N)cc1 1866732214 UVFSWCLXJRFAGS-XZOQPEGZSA-N 493.629 5.228 50 10 JKGE Cc1ccc([C@H](C(=O)N[C@H](Cc2ccc(F)cc2)C(=O)Nc2ccc(SC#N)cc2)C(C)C)cc1 1866951734 VSXLFHMHKLNRRU-CLJLJLNGSA-N 489.616 5.813 50 10 JKGE Cc1cc(-c2csc(/C(C#N)=C/c3ccccc3OCc3ccc(Cl)cc3)n2)ccc1F 1872790960 NRKCWSJUHMNOIH-FYJGNVAPSA-N 460.961 7.554 50 10 JKGE Clc1cc(I)c([C@@H](Cl)c2ccc(I)cc2)s1 1900919110 KPNGFDIURUXWIM-JTQLQIEISA-N 494.950 5.939 50 10 JKGE Clc1c(Br)sc(Br)c1[C@H](Br)[C@@]12CCOC[C@@H]1C2 1909851998 HCKFLOBHIUPMJK-HCPJGSBBSA-N 465.432 5.789 50 10 JKGE O=C(c1cc(Br)sc1Br)N(CCCCl)Cc1ccccc1 1914642886 HPUVLKNNNAUXOM-UHFFFAOYSA-N 451.611 5.544 50 10 JKGE C[C@@H](CCBr)N(Cc1ccccc1)S(=O)(=O)c1c(Cl)cccc1Br 1915094971 PSDOWUXYFJYPEC-ZDUSSCGKSA-N 495.664 5.467 50 10 JKGE CC(C)[C@@H](CCl)N(Cc1ccccc1)C(=O)c1cc(Cl)ccc1I 1915288177 GZWSEHRILCXNSO-GOSISDBHSA-N 476.185 5.850 50 10 JKGE Clc1cccc([C@H](Br)c2sc(Br)cc2Br)c1Cl 1922936505 VVNCAURWFCRLME-VIFPVBQESA-N 479.846 7.064 50 10 JKGE Clc1c(Br)sc(Br)c1[C@H](Br)[C@@H]1CCC[C@H]2C[C@@H]21 1923038814 KYLBOGSRHYUQEQ-VOQBNFLRSA-N 463.460 6.799 50 10 JKGE CCc1ccc([C@H](Br)c2c(Br)sc(Br)c2Cl)cc1 1923040781 WROVMSHIDXRIEB-JTQLQIEISA-N 473.455 6.973 50 10 JKGE CC1(C)C[C@@H]([C@@H](Br)c2c(Br)sc(Br)c2Cl)C(C)(C)O1 1923060397 CDAILBKLKAAYRK-POYBYMJQSA-N 495.502 6.956 50 10 JKGE COCC1([C@@H](Br)c2c(Br)sc(Br)c2Cl)CCCCC1 1923072171 NHGLWDMKLLJXGS-JTQLQIEISA-N 495.502 6.959 50 10 JKGE Cl[C@H](c1c(Br)sc(Br)c1Br)[C@@H]1C[C@H]2CCC[C@@H]21 1924615489 BVLXVHPGYZRSBW-LGVNZDMBSA-N 463.460 6.752 50 10 JKGE O=C(O)[C@@H]1CCN(C(=O)OCC2c3ccccc3-c3ccccc32)[C@H]1CCCC[C@@H]1CCSS1 1952785770 FPMJLZAHSGJYAX-MQVPCNEGSA-N 497.682 6.425 50 10 JKGE COCC1([C@@H](Br)c2c(Br)sc(Br)c2Br)CC1 1975746314 MFWVABWKBSFBHM-ZETCQYMHSA-N 497.872 5.898 50 10 JKGE FC1(F)[C@@H]2COC[C@]21[C@H](Cl)c1c(Br)sc(Br)c1Br 2043521487 RFGXECFVFPXUNQ-WCSIQHINSA-N 487.385 5.597 50 10 JKGE Fc1cc(Br)c([C@H](Cl)c2cc(I)sn2)c(F)c1F 2056495870 ILUNUHUESFADLL-MRVPVSSYSA-N 468.463 5.256 50 10 JKGE C[C@H](NCCSSCCNC(=O)OC(C)(C)C)c1ccc(Br)cc1Cl 2061265012 WTBWWRYRCKFZCB-LBPRGKRZSA-N 469.898 5.659 50 10 JKGE Cc1cc(Br)c(C)c([C@@H](Cl)c2csc(Br)c2)c1Br 2081059740 JOBUMAWRDKNJJD-ZDUSSCGKSA-N 473.455 6.981 50 10 JKGE Cc1csc([C@H](Cl)c2ccc(Br)c(C)c2Br)c1Br 2083311612 KQRZAILHHCIZEK-GFCCVEGCSA-N 473.455 6.981 50 10 JKGE Fc1ccc([C@H](Br)c2ccc(CC3CC3)s2)c(I)c1 2087639519 GVMAGGOLUJBJNT-HNNXBMFYSA-N 451.142 5.929 50 10 JKGE Cc1cc(Br)c([C@H](Br)C2CC[C@H]3C[C@@H]3CC2)cc1Br 2089421420 FIOOWWUNYDBLJD-MQIPJXDCSA-N 451.040 6.782 50 10 JKGE Fc1cc(Cl)c(Br)cc1[C@H](Br)c1cc(Cl)cc(Br)c1 2097834639 MXKVGRLQIHMVAL-CYBMUJFWSA-N 491.807 7.142 50 10 JKGE C[C@H](Cl)c1nc2cc(Br)c(Cl)cc2n1CCCN(C)Cc1ccccc1 2103811638 BCTXILVQXZGIGC-AWEZNQCLSA-N 455.227 6.274 50 10 JKGE C[C@]1(C(F)(F)F)C[C@]1(CBr)Cc1cccc(Br)c1Br 2105508675 AUCAFYJKGXJRPA-RYUDHWBXSA-N 464.945 6.108 50 10 JKGE BrCc1cc(Br)c(OC2[C@H]3CCCCC[C@H]23)c(Br)c1 2111902815 LPNCJBYLIYZSCG-QWRGUYRKSA-N 453.012 6.064 50 10 JKGE C[C@H]1CN(C(=O)c2csc(Br)c2Br)CC[C@@H]1CCBr 2115846151 ZFQXAKPHOZCBOP-IUCAKERBSA-N 474.056 5.156 50 10 JKGE C[C@H](C1CC1)N(Cc1ccccc1)S(=O)(=O)c1cc(CBr)c(Cl)cc1Cl 2123250265 BBKXKESKRXNGNQ-CYBMUJFWSA-N 477.251 5.878 50 10 JKGE Cc1c([C@@H](Br)c2cc(C3CC3)c(Br)s2)c(Br)nn1C 2131589501 FQXQMIHSPZOHRQ-NSHDSACASA-N 469.040 5.677 50 10 JKGE Fc1cc(Br)c([C@@H](Br)c2cccc(Br)c2)c(F)c1Cl 2136965827 COTZVMDDVMPUJJ-NSHDSACASA-N 475.352 6.628 50 10 JKGE Cc1cc(Cl)c(Br)cc1[C@H](Br)c1nn(C)c(Br)c1C 2137639225 DRRHNFXUJYWREV-NSHDSACASA-N 471.418 5.700 50 10 JKGE O=C(NC1(CBr)CC2(CCC2)C1)c1cc(Br)cc(Br)c1 2163541814 KFPSGZXNEHPQJM-UHFFFAOYSA-N 466.011 5.039 50 10 JKGE O=C(NC[C@@H]1CCCC[C@@H](Br)C1)c1c(Br)cccc1Br 2163738037 SADGSMNWAUBBNP-GHMZBOCLSA-N 468.027 5.285 50 10 JKGE Fc1cc(Br)cc(Oc2cc(Cl)c(Br)cc2Cl)c1CCl 2170695183 KYAFMRBYAPHCPA-UHFFFAOYSA-N 463.355 7.189 50 10 JKGE Cc1cc(Br)c(CBr)c(Oc2cc(C)c(Br)c(C)c2)c1 2173451136 UUTWNCUZFVLYPA-UHFFFAOYSA-N 463.007 6.824 50 10 JKGE O=S(=O)(c1cc(Cl)cc(CBr)c1F)N(CCC(F)(F)F)Cc1ccccc1 2179864125 WYTGNHDVHAWFDY-UHFFFAOYSA-N 488.728 5.517 50 10 JKGE Cc1cc(Br)c(C)c([C@H](Br)C[C@@H]2CCC[C@H]3C[C@@H]32)c1Br 2201079129 QVIPXWWKRFLZBJ-PWNZVWSESA-N 465.067 7.091 50 10 JKGE Brc1cccc([C@@H](Br)c2ccc(-c3cccs3)s2)c1Br 2205874292 ZARQAOVDVMBXMD-OAHLLOKOSA-N 493.083 7.486 50 10 JKGE Cc1c(Br)csc1[C@@H](Cl)c1sc(Br)cc1Br 2210635100 DVPSTFSLJTUPQI-MRVPVSSYSA-N 465.457 6.734 50 10 JKGE Cl[C@@H](Cc1sc(Br)c(Br)c1Br)c1cccs1 2212199870 HIGLEHJTEZGWCW-YFKPBYRVSA-N 465.457 6.620 50 10 JKGE Cc1c(Br)sc([C@H](Br)Cc2ccc(Br)cc2)c1C 2218791880 UYADNVVEIDEORO-GFCCVEGCSA-N 453.037 6.569 50 10 JKGE Cc1sc(Br)c(C)c1[C@@H](Cl)c1ccc(F)cc1I 2218804697 CWCJSGHIYMWNKZ-LBPRGKRZSA-N 459.549 6.199 50 10 JKGE COc1sccc1[C@H](Br)c1c(Br)cc(C)c(Br)c1C 2227372467 WOSGMIUJQJIFCE-ZDUSSCGKSA-N 469.036 6.383 50 10 JKGE CCC[C@H](CC(C)C)[C@H](Br)c1c(Br)cc(Cl)c(Cl)c1Cl 2232516780 MJZBDDQYSMIFHQ-RNCFNFMXSA-N 465.484 8.308 50 10 JKGE C[C@@H]1C[C@@H]2C[C@@H]2C[C@H]1[C@@H](Br)c1c(Br)cc(Cl)c(Cl)c1Cl 2232520396 OMAMVAPKPBKKAG-PCQLPTCXSA-N 461.452 7.528 50 10 JKGE O=C(c1scc(Br)c1Br)N1[C@H](CBr)C[C@@H]2CCCC[C@H]21 2240728782 NHXSJLOLXXOWGQ-ATZCPNFKSA-N 486.067 5.441 50 10 JKGE Fc1cc(Cl)c([C@@H](Cl)c2cc(Br)sc2Br)cc1Br 2258113751 OCMSERWAXKXDPK-SNVBAGLBSA-N 497.836 7.156 50 10 JKGE Cc1ccsc1[C@@H](Br)c1c(F)cc(Br)c(F)c1Br 2260000203 YDZPWZZPRNJSPH-JTQLQIEISA-N 460.963 6.344 50 10 JKGE COc1csc([C@@H](Br)Cc2cc(Br)cc(Br)c2)c1 2263515675 RHFBWKQRUAFWFU-LBPRGKRZSA-N 455.009 5.960 50 10 JKGE Cc1cc(Cl)c(Br)cc1[C@@H](Cl)c1ccc(Cl)c(I)c1 2268269581 DWNMWFLGZOBBAU-AWEZNQCLSA-N 490.393 6.997 50 10 JKGE FC1(F)[C@@H]2[C@@H]([C@@H](Br)Cc3cc(Br)cc(Br)c3)CC[C@H]21 2277954837 GQQBBZWOTNRWGH-FVCCEPFGSA-N 458.966 5.809 50 10 JKGE Cc1cc(Br)c([C@H](Cl)c2cc(Br)ccc2Br)c(C)c1F 2279140891 CKSUNVFFRKLEQC-CQSZACIVSA-N 485.416 7.058 50 10 JKGE CC1(C)CCC(C)(C)[C@H](Br)[C@H]1Cc1c(Br)cccc1Br 2290329746 YVQTUVQJSGSRSO-IUODEOHRSA-N 467.083 6.980 50 10 JKGE N#CC(=Cc1ccc(OCCOc2ccc(Br)cc2)cc1)C(=O)NCc1ccccc1 2293188482 JRIDHCHDNXYWOF-UHFFFAOYSA-N 477.358 5.130 50 10 JKGE Cc1ccc(Cl)cc1NC(=O)C(C#N)=Cc1cn(Cc2ccc([N+](=O)[O-])cc2)c2ccccc12 2294171851 DANRFVVLRNBCBF-UHFFFAOYSA-N 470.916 6.105 50 10 JKGE CC(C)(C)[C@@H](CCBr)NC(=O)Cc1cc(Br)cc(Br)c1 2295315559 NJLAVNXNTGNWIP-CYBMUJFWSA-N 470.043 5.070 50 10 JKGE COc1cc(C=C(C#N)C(=O)Nc2ccccc2C(F)(F)F)ccc1OCc1ccccc1Cl 2295459613 FVWCBROJDOOISH-UHFFFAOYSA-N 486.877 6.492 50 10 JKGE CCOC(=O)c1c(NC=C(C#N)c2nc(-c3cccc4ccccc34)cs2)sc(C)c1C 2296789902 AFKFVOCWVDNJRM-UHFFFAOYSA-N 459.596 6.795 50 10 JKGE C[C@]1([C@@H](Br)c2cc(Br)ccc2OCc2ccccc2)CCCOC1 2299491791 ASGBLHNTLUPIOU-PMACEKPBSA-N 454.202 6.281 50 10 JKGE CC1(C)CC[C@H](Cc2ccc(I)c(Br)c2)[C@H]1Br 2306200308 WJUPJFJTPMTIJK-ZWNOBZJWSA-N 472.002 5.796 50 10 JKGE CCO[C@@H]1CC[C@H]([C@@H](Br)c2ccc(OCc3ccccc3)cc2Br)C1 2314447090 WQSZTIMHSKPPOW-CSODHUTKSA-N 468.229 6.669 50 10 JKGE N#CC(=Cc1cc([N+](=O)[O-])ccc1OCC(=O)Nc1nccs1)c1nc(-c2ccccc2)cs1 2314486616 ACCMLIJUJUNZDD-UHFFFAOYSA-N 489.538 5.256 50 10 JKGE CC1=C(C#N)C(=O)N(CC(C)C)C(=O)C1=Cc1cn(-c2ccccc2)nc1-c1ccc2c(c1)C[C@H](C)O2 2314610837 MWPAUWBUCRMVJE-IBGZPJMESA-N 492.579 5.111 50 10 JKGE C[C@]1([C@H](Br)c2c(Cl)cc(Br)c(F)c2Br)CCCO1 2315457962 HURAQJXABZHSLU-VXGBXAGGSA-N 465.382 6.009 50 10 JKGE O=C(Cc1ccc(Br)cc1Cl)N[C@H](CCBr)COCc1ccccc1 2320355824 CJYMPLUYQFYPJX-QGZVFWFLSA-N 489.635 5.132 50 10 JKGE COc1cc(-c2csc(C(C#N)=C(O)c3c(OC)cccc3OC)n2)c(OC)cc1Cl 2331377041 BBTCTNIGXOBQDF-UHFFFAOYSA-N 458.923 5.448 50 10 JKGE COc1c(C)cc(Cl)cc1-c1csc(C(C#N)=C(O)c2ccc3c(c2)C(=O)N(C(C)C)C3=O)n1 2331391824 JTIPLJHUWCROFE-UHFFFAOYSA-N 493.972 5.735 50 10 JKGE COc1c(Cl)cc(-c2csc(C(C#N)=C(O)c3ccc(Cl)cc3[N+](=O)[O-])n2)cc1Cl 2331397950 LLZIBFBMMOLBEU-UHFFFAOYSA-N 482.732 6.637 50 10 JKGE COc1ccc(-c2csc(C(C#N)=C(O)CN3C(=O)c4ccccc4C3=O)n2)c2ccccc12 2331405110 RRAUJUPCQANSRG-UHFFFAOYSA-N 467.506 5.061 50 10 JKGE N#CC(=C(O)c1ccc(Cl)c([N+](=O)[O-])c1)c1nc(-c2cc(Cl)ccc2Cl)cs1 2331405479 LQMSYNDUWFGTQU-UHFFFAOYSA-N 452.706 6.628 50 10 JKGE CCCCCOc1ccc(C=C(C#N)c2nc(-c3cccc4ccccc34)cs2)cc1OC 2331456526 YULHONZTZCNIIG-UHFFFAOYSA-N 454.595 7.605 50 10 JKGE CCCCCCCOc1ccc(-c2csc(C(C#N)=Cc3cc(Br)ccc3F)n2)cc1 2331460650 PURFDBISFGYCRT-UHFFFAOYSA-N 499.449 8.125 50 10 JKGE Fc1cccc(Cl)c1C[C@@H](Cl)c1cc(Br)ccc1OCc1ccccc1 2336049901 GTLCZKDCFDIHOL-LJQANCHMSA-N 454.166 7.343 50 10 JKGE C[C@]12CO[C@]([C@H](Br)c3c(Cl)cc(Br)c(F)c3Br)(C1)C2 2337095360 ZSOANITUPWUSCJ-UPJWGTAASA-N 477.393 6.009 50 10 JKGE C[C@](CI)(OCC(F)(F)C(F)F)c1ccccc1Br 2337779222 IQKPSUDCBASYBC-LLVKDONJSA-N 455.027 5.016 50 10 JKGE COc1c(Br)cc(C)c([C@H](Br)CCC(C)(F)F)c1Br 2339657587 ZKFQQJDONKGPMY-MRVPVSSYSA-N 464.970 6.400 50 10 JKGE Clc1ccc(CN2[C@H]3CC[C@@H]2C[C@@H](CBr)C3)c(I)c1 2341024376 GSBHFUCDRSBMCM-OJNYZHBWSA-N 454.577 5.083 50 10 JKGE FC1CC2(C1)CC(CBr)(Cc1ccc(Cl)cc1I)C2 2341029508 GOMUWZBEXPTYEZ-UHFFFAOYSA-N 457.552 5.781 50 10 JKGE CC[C@@H](Br)[C@H]1CCCCN1Cc1cc(I)ccc1Cl 2352413124 CZGMJUASBFNGFX-UKRRQHHQSA-N 456.593 5.473 50 10 JKGE Fc1c(Br)cc(Cl)c([C@H](Br)[C@@H]2OC[C@H]3CCC[C@H]32)c1Br 2362233456 ALVYVFVSGPHKHL-MQAFMZSISA-N 491.420 6.255 50 10 JKGE FC(F)(F)c1cc(Cl)ccc1[C@@H](Cl)c1sc(Cl)cc1I 2364124533 KVGBGOYRMNNVIU-SNVBAGLBSA-N 471.496 7.007 50 10 JKGE COc1c(Br)cc(C)c([C@H](Br)[C@@H]2CCC[C@H]3C[C@@H]32)c1Br 2365187598 BTXUVIWJCJIBPH-BBGACYKPSA-N 467.039 6.401 50 10 JKGE COc1c(Br)cc(C)c([C@H](Br)[C@@H]2C[C@H]2C(C)(F)F)c1Br 2365192369 BPYCFBHOWAHEST-SOCHQFKDSA-N 476.981 6.256 50 10 JKGE CCOC(=O)c1c(-c2ccc(CC)cc2)csc1NC(=O)/C(C#N)=C/c1ccc(C(C)C)cc1 1974864 XNHYHSAWOGPCKN-HZHRSRAPSA-N 472.610 6.823 50 10 JKGE Cc1cc(C)c([C@H]2[C@@H]3CCCC=C3C(C#N)=C(N)C2(C#N)C#N)cc1COc1ccc(F)cc1 2727497 JVMTVKQUNJGPSW-ZEQKJWHPSA-N 452.533 5.615 50 10 JKGE N#C/C(=C/c1c(Oc2ccc(Cl)cc2Cl)nc2ccccn2c1=O)C(=O)NC1CCCCC1 33674553 IDNZEXRPEOZJPL-QINSGFPZSA-N 483.355 5.149 50 10 JKGE N#C/C(=C/c1c(OC(=O)c2cccc([N+](=O)[O-])c2)ccc2ccccc12)c1nnc2n1CCCCC2 33744910 HFGYJWZLFRHTQM-SILNSSARSA-N 479.496 5.349 50 10 JKGE CCOC(=O)/C(C#N)=C\c1cn(-c2ccccc2)nc1-c1cccc(OCc2ccc(F)cc2)c1 35446049 TZYCIVJGIPCOOL-JCMHNJIXSA-N 467.500 5.727 50 10 JKGE CCCCOc1ccc(-c2nn(-c3ccccc3)cc2/C=C(/C#N)C(=O)N2CCOCC2)cc1Cl 35447447 OTHHARHIVXKPDL-PGMHBOJBSA-N 490.991 5.137 50 10 JKGE N#CC1=C(N)Oc2cc(OC(=O)c3ccccc3[N+](=O)[O-])ccc2[C@@H]1c1ccc(Cl)c(Cl)c1 38655834 BMULPXIJBYSIIC-NRFANRHFSA-N 482.279 5.339 50 10 JKGE N#CC1=C(N)Oc2cc(OC(=O)COc3cccc(Cl)c3)ccc2[C@H]1c1c(F)cccc1Cl 38680741 ONDPAFAPSJYXHP-JOCHJYFZSA-N 485.298 5.335 50 10 JKGE C=CCOc1ccc(C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@H]3c2ccc(SC)cc2)cc1 38682416 WZMGYQFVXULRMS-VWLOTQADSA-N 470.550 5.411 50 10 JKGE CCCCOc1cccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4ccccc4OC)ccc32)c1 38685055 WHLYOOZBKDYZOG-SANMLTNESA-N 470.525 5.311 50 10 JKGE COc1ccccc1C(=O)N/N=C1\CCCc2oc(C(=O)Nc3ccc(Cl)c(Cl)c3)c(C)c21 40813159 RIYRMWMVBBZDKB-MTDXEUNCSA-N 486.355 5.626 50 10 JKGE COc1ccc2ccccc2c1/C=N/NC(=O)CSc1nc(-c2ccc(Cl)cc2)cs1 40924849 GNUCRSBLAYYEQO-BRJLIKDPSA-N 468.003 5.868 50 10 JKGE Cc1cccc(COc2c(Cl)cc(/C=N\NC(=O)CC[C@@H](O)c3ccccc3)cc2Cl)c1 58889454 WWTUVAUKWWMVGR-PLIDZJGOSA-N 471.384 5.845 50 10 JKGE C=CCc1cc(/C=N/NC(=O)c2cc3cc(Br)ccc3o2)cc(Br)c1O 59304933 UEDYDMGUMMVXMG-LSHDLFTRSA-N 478.140 5.156 50 10 JKGE CCOC(=O)COc1ccc(/C=N/NC(=O)c2ccc(-n3c(C)ccc3-c3ccccc3)cc2)cc1 59305508 OUDJDZNPTIWWMS-NDZAJKAJSA-N 481.552 5.159 50 10 JKGE N#C/C(=C\c1ccc(OCc2cccc3ccccc23)cc1)C(=O)N1CCN(c2ccccc2)CC1 59676583 KYBYYNOQHGDVRB-SZXQPVLSSA-N 473.576 5.675 50 10 JKGE N#C/C(=C(/O)c1ccc(-c2ccc([N+](=O)[O-])cc2Cl)o1)c1nc(-c2ccc3ccccc3c2)cs1 100989596 GRZKDSBIZSEZRV-QQTULTPQSA-N 499.935 7.735 50 10 JKGE Cc1cccn2c(/C=C(/C#N)C(=O)Nc3cccc(Br)c3)c(-c3ccccc3)nc12 102926611 PFSZYJVODQGXSM-AQTBWJFISA-N 457.331 5.618 50 10 JKGE CCCn1c(C)cc(/C=C(/C#N)C(=O)Nc2nc(-c3ccc([C@H](C)NC(C)=O)cc3)cs2)c1C 105150682 AZGHRDNBDLIQIE-ICODJCHTSA-N 475.618 5.381 50 10 JKGE O=c1[nH]c2cc(Br)c([C@@H](Br)c3cc(F)cc(Br)c3)cc2[nH]1 109884124 QNYNZYOIAUXOPQ-ZDUSSCGKSA-N 478.941 5.005 50 10 JKGE Cc1ccc(Br)cc1[C@@H](Br)c1cc(Br)ccc1Br 114980477 PLIDFADFYPHANV-CQSZACIVSA-N 497.850 6.767 50 10 JKGE BrCC(CBr)(CC[C@H]1CCCO1)c1ccccc1Br 118671979 SUDRUYQEQUSCDQ-GFCCVEGCSA-N 455.028 5.436 50 10 JKGE Fc1ccc(Br)c(CC(CBr)(CBr)Cc2ccccc2)c1 118875703 XNWSWNRRTHJJCR-UHFFFAOYSA-N 479.025 6.150 50 10 JKGE Fc1ccccc1CC(CBr)(CBr)c1cccc(Br)c1 118878647 RFWHCLKWPCMSKT-UHFFFAOYSA-N 464.998 5.859 50 10 JKGE Cc1cc(Br)c([C@@H](Cl)c2cc(C)c(Br)s2)cc1Br 128690275 YLYXTSVQVWIYPT-GFCCVEGCSA-N 473.455 6.981 50 10 JKGE COc1cc([C@@H](Br)c2ccc(Br)cc2C)c(OC)cc1Br 134297324 WXLOLAQGRZYOHY-INIZCTEOSA-N 479.006 6.022 50 10 JKGE CCCCCCN1C(=O)C(C#N)=C(C)/C(=C/c2ccc(OCc3ccccc3)c(OC)c2)C1=O 214245016 GZJNLTSGRJIFBU-KQWNVCNZSA-N 458.558 5.447 50 10 JKGE CC1=C(C#N)C(=O)N(Cc2cccnc2)C(=O)/C1=C\c1cn(-c2ccccc2)nc1-c1cc(C)ccc1C 214310677 OOYPRQUIZCAUNX-DICXZTSXSA-N 499.574 5.344 50 10 JKGE Cc1ccc2nc(-c3ccc(N/C=C(/C#N)C(=O)Nc4cccc(C(F)(F)F)c4)cc3)sc2c1 217147035 ZWCCVEVANRBPTG-VKAVYKQESA-N 478.499 6.749 50 10 JKGE CCCCc1ccc(NC(=O)/C(C#N)=C\Nc2ccc(I)cc2C)cc1 217169064 DQCXDXXMZJLBJR-VKAVYKQESA-N 459.331 5.400 50 10 JKGE CC[C@H]1CCC[C@H](Oc2c(Br)cc(CBr)cc2Br)C1 234076829 SZBJSEAXEHWPOL-JQWIXIFHSA-N 455.028 6.454 50 10 JKGE Cc1cc(F)cc(C)c1[C@H](Br)c1cc(Cl)ccc1I 235786079 KOHICIUVUSARNL-OAHLLOKOSA-N 453.520 6.185 50 10 JKGE Cc1cc(C)c(C)c([C@@H](Cl)c2cc(Br)ccc2I)c1C 235819588 MMXYSTMWFARVFA-KRWDZBQOSA-N 463.584 6.616 50 10 JKGE Cc1cc([C@H](Br)c2cc(Br)cc(Br)c2)sc1Cl 235857061 FWKALIFMVMHMHZ-LLVKDONJSA-N 459.428 6.719 50 10 JKGE FC(F)(F)C([C@H](Br)c1cc(Br)sc1Br)C(F)(F)F 236098030 WFCFMWJSQBLZRA-SCSAIBSYSA-N 484.879 6.450 50 10 JKGE O=C(NN=Cc1ccc(-c2ccccc2)cc1)c1cccc(S(=O)(=O)Nc2ccc(Cl)cc2)c1 254376068 MMDPIQBOTSOOAX-UHFFFAOYSA-N 489.984 5.572 50 10 JKGE CC(=NNC(=O)c1cc(-c2ccc(OC(C)C)cc2)nc2ccc(C)cc12)c1cc(O)ccc1O 254404952 UQHOACXAJNPOLB-UHFFFAOYSA-N 469.541 5.563 50 10 JKGE O=C(Cn1ccc(C(F)(F)F)n1)NN=Cc1ccc(N(c2ccccc2)c2ccccc2)cc1 254756893 MXPNKVROEJMNGR-UHFFFAOYSA-N 463.463 5.522 50 10 JKGE CC(=NNC(=O)CSc1nnc(-c2ccc(C(C)(C)C)cc2)n1-c1ccccc1)c1ccc(O)cc1 254872941 CHFJQHSOYQSXEK-UHFFFAOYSA-N 499.640 5.570 50 10 JKGE COc1ccc(Br)cc1[C@H](Br)c1cc(Br)sc1C 302652239 WBSVELATPKPUHM-CYBMUJFWSA-N 455.009 6.074 50 10 JKGE Clc1c(Br)cccc1[C@@H](Br)c1cc2c(cc1Br)OCC2 308414191 KFHGHPJULIKPMH-CQSZACIVSA-N 481.409 6.284 50 10 JKGE Cl[C@@H](c1cc(Br)ccc1Br)c1cc2c(cc1Br)OCC2 308436258 NZCTXDVIUBOBQA-OAHLLOKOSA-N 481.409 6.237 50 10 JKGE COc1c(CCl)cc(Cl)cc1S(=O)(=O)N(Cc1ccccc1)Cc1ccccc1 309582024 MJMWSMHMBZAWGJ-UHFFFAOYSA-N 450.387 5.479 50 10 JKGE Clc1ccsc1CC(CBr)(CBr)c1ccc(Br)cc1 382256157 GFBBFHYRTUMDIY-UHFFFAOYSA-N 487.482 6.434 50 10 JKGE C[C@@H]1CN(Cc2ccccc2)CCCN1c1ccc(CBr)c(Br)c1 382653793 FUCXXHRRSUFOFX-MRXNPFEDSA-N 452.234 5.445 50 10 JKGE C[C@@H]1C[C@@H](n2c(CCl)nc3cc(I)c(F)cc32)CN1Cc1ccccc1 398001770 NXUZKKXEFMJKOV-UKRRQHHQSA-N 483.756 5.354 50 10 JKGE Clc1ccc(I)c(COc2ccc(CBr)cc2Cl)c1 405305812 QEYLZGUAMHVTDO-UHFFFAOYSA-N 471.947 6.072 50 10 JKGE CC(C)(C)[Si](C)(C)OCCc1ccccc1[C@@H]1CCN(CCO[Si](C)(C)C(C)(C)C)CCO1 616594237 OWBDUIAJCMANAT-VWLOTQADSA-N 493.881 7.036 50 10 JKGE CC(C)(C)[Si](C)(C)OCCN1CCC[C@@H](c2ccc(CO[Si](C)(C)C(C)(C)C)cc2)C1 616621324 QYMRRJYJLWZUPR-XMMPIXPASA-N 463.855 7.410 50 10 JKGE Cc1cc(Br)c([C@@H](Br)C[C@H](C)C(F)(F)F)cc1Br 705455019 MCMGHESRURQTOZ-CPCISQLKSA-N 452.934 6.545 50 10 JKGE ClCc1cc(Cl)cc(Br)c1OCc1ccc(I)cc1 708125393 XWUWLZOBQSKCLR-UHFFFAOYSA-N 471.947 6.025 50 10 JKGE Cc1ccc([C@H](Cl)c2ccc(Br)cc2Br)c(C)c1Br 719577893 QWPAASLNYSPWER-HNNXBMFYSA-N 467.426 6.919 50 10 JKGE O=C(Cl)/C=C\c1ccc(OCc2ccc(Cl)c(Cl)c2)c(I)c1 1081475914 OJOWAXFKWLLAAM-UTCJRWHESA-N 467.517 5.956 50 10 JKGE O=C(NN=Cc1ccc(OCc2ccc(Cl)cc2Cl)cc1)C(c1ccccc1)c1ccccc1 1083891179 CTBPMNVAZXIXJJ-UHFFFAOYSA-N 489.402 6.855 50 10 JKGE CCOc1cc(/C=C(/C#N)C(=O)Nc2cccc(C(F)(F)F)c2)cc(Br)c1OCC 1083970553 PHJOWJPFOQILQT-ZSOIEALJSA-N 483.284 5.811 50 10 JKGE Cc1ccc(NC(=O)CCC(=O)NN=C(/C=C\c2ccccc2)/C=C\c2ccccc2)c(C)c1 1084510219 BFSYPDBUCUUYSL-RYOQUFEFSA-N 451.570 5.921 50 10 JKGE COc1ccc(C(=O)NN=C2CCCc3oc(C(=O)N4c5ccc(F)cc5CC[C@@H]4C)c(C)c32)cc1 1772746627 XOCUGXGBPSCGRR-INIZCTEOSA-N 489.547 5.188 50 10 JKGE Cc1cc(C)cc(NC(=O)c2oc3c(c2C)C(=NNC(=O)c2ccc(-c4ccccc4)cc2)CCC3)c1 1772747929 SVWLTBPJNOMLCM-UHFFFAOYSA-N 491.591 6.595 50 10 JKGE CCCc1nn(-c2ccc(Cl)c(Cl)c2)c2c1[C@H](c1cccc(Cl)c1)C(C#N)=C(N)O2 1865683185 IERONEZIHNYYEL-LJQANCHMSA-N 459.764 6.003 50 10 JKGE CCCc1nn(Cc2ccc(Cl)c(Cl)c2)c2c1[C@@H](c1ccc(N(C)C)cc1)C(C#N)=C(N)O2 1865683749 OKMJUHATFNBWNV-QFIPXVFZSA-N 482.415 5.475 50 10 JKGE CCCc1nn(Cc2c(F)cccc2Cl)c2c1[C@H](c1ccc(Cl)c(Cl)c1)C(C#N)=C(N)O2 1865686065 QMTFHNAHQORMPL-HXUWFJFHSA-N 491.781 6.201 50 10 JKGE Cc1ccc(Cn2nc(C(F)(F)F)c3c2OC(N)=C(C#N)[C@H]3c2ccc(C(C)C)cc2)cc1 1865686459 WEEIBQNYDASGLQ-HXUWFJFHSA-N 452.480 5.600 50 10 JKGE CCCc1nn(-c2ccc(Cl)c(Cl)c2)c2c1[C@H](c1cc(Cl)ccc1O)C(C#N)=C(N)O2 1865688811 BNVJIJXQQNCCHK-LJQANCHMSA-N 475.763 5.709 50 10 JKGE N#CC1=C(N)Oc2c(c(-c3ccccc3)nn2Cc2ccccc2F)[C@@H]1c1c[nH]c2ccccc12 1865699834 DLAZEMTXWLDGPB-DEOSSOPVSA-N 461.500 5.437 50 10 JKGE CCc1nn(Cc2ccc(Cl)cc2)c2c1[C@H](c1cc(Br)ccc1F)C(C#N)=C(N)O2 1865701939 IWMAEXXKSLHTDZ-LJQANCHMSA-N 487.760 5.267 50 10 JKGE CCCn1nc(C(F)(F)F)c2c1OC(N)=C(C#N)[C@@H]2c1ccccc1OCc1ccc(Cl)cc1 1865704524 XXTBCXALUIUZSF-IBGZPJMESA-N 488.897 5.762 50 10 JKGE COc1ccc([C@H]2C(C#N)=C(N)Oc3c2c(-c2ccccc2)nn3-c2ccccc2Cl)cc1OC 1865706963 KAUJDIJDXXRYCJ-QHCPKHFHSA-N 484.943 5.428 50 10 JKGE COc1ccccc1-c1ccc(C(=O)NNC(=O)c2cc(C(F)(F)F)cc(C(F)(F)F)c2)c(C)n1 1865760252 OGIOPDQDIZGXFH-UHFFFAOYSA-N 497.395 5.178 50 10 JKGE C/C(=N\NC(=O)c1ccc(-c2ccc(Cl)c(Cl)c2)nc1C)c1ccc(-c2ccccc2)cc1 1865763332 GXSBRACCSQFFCP-KBVAKVRCSA-N 474.391 7.185 50 10 JKGE CCOC(=O)c1c(-c2ccc(OC)cc2)csc1NC(=O)/C(C#N)=C/c1ccc(Cl)cc1 1866128430 RFEJXUIBHFABBK-SFQUDFHCSA-N 466.946 5.799 50 10 JKGE Cc1ccc([C@H](CC(=O)N[C@H](Cc2ccccc2)C(=O)Nc2ccc(SC#N)cc2)C(C)C)cc1 1866732841 IFKVGICICYLFMY-KAYWLYCHSA-N 485.653 6.064 50 10 JKGE CC[C@@](C)(NC(=O)CC(c1ccc(F)cc1)c1ccc(F)cc1)C(=O)Nc1ccc(SC#N)cc1 1866756724 MACFIROMNPPGFP-HHHXNRCGSA-N 493.579 5.984 50 10 JKGE CC(C)(C)c1ccc2c(c1)C(=O)CCN2c1cc(Nc2ccc(SC#N)cc2)nc(C(C)(C)C)n1 1868341921 DJPKFAWJDCVOJK-UHFFFAOYSA-N 485.657 7.113 50 10 JKGE CC[C@H](C)N1C(=O)c2ccc(/C(O)=C(\C#N)c3nc(-c4ccc5c(c4)CCCC5)cs3)cc2C1=O 1872745540 RSSVYDQLMUCQTL-LDWQWDCMSA-N 483.593 6.033 50 10 JKGE COc1ccc(-c2csc(/C(C#N)=C(O)/C=C/c3ccc(OC(C)=O)c(OC)c3)n2)cc1C 1872746485 KCRRDVVONMCTSY-DYBBPNSKSA-N 462.527 5.567 50 10 JKGE CCOc1ccc(OCC)c(-c2csc(/C(C#N)=C(\O)Cc3ccc(NC(C)=O)cc3)n2)c1 1872755083 XTZRUQPIIZBSOQ-LNVKXUELSA-N 463.559 5.601 50 10 JKGE CCOc1ccc(CC/C(O)=C(\C#N)c2nc(-c3cc(C)cc(C)c3OC)cs2)cc1OC 1872755122 ZDEIZDPKDUSEDB-XDOYNYLZSA-N 464.587 6.268 50 10 JKGE CCCCCCOc1ccc(/C(O)=C(\C#N)c2nc(-c3cc(Cl)c(OC)cc3OC)cs2)cc1 1872756769 ZWOSOMSXVOHIOG-QQTULTPQSA-N 499.032 7.390 50 10 JKGE BrCc1cc(Br)ccc1N(Cc1ccccc1)Cc1cccs1 1914880255 QKROPDRIQCDXIQ-UHFFFAOYSA-N 451.227 6.612 50 10 JKGE CC1(C)C[C@@H]([C@@H](Cl)c2c(Br)sc(Br)c2Br)C(C)(C)O1 1924611698 DXROTMBDHKRFLJ-IMTBSYHQSA-N 495.502 6.909 50 10 JKGE Fc1cc(Cl)c(Br)cc1[C@@H](Br)c1csnc1Br 1925269553 HIBMRJPTSQVNNS-SECBINFHSA-N 464.379 5.945 50 10 JKGE Fc1cc(Br)ccc1C[C@@H](Br)c1c(Cl)sc(Cl)c1Cl 1925592863 GFXQXCOZHPUMHQ-SSDOTTSWSA-N 467.412 7.289 50 10 JKGE CC(C)C1([C@@H](Cl)c2c(Br)sc(Br)c2Br)CCC1 2017135061 PDAWGFXDXHKRBG-VIFPVBQESA-N 465.476 7.142 50 10 JKGE Cc1ccc([C@H](Br)c2ccc(Br)cc2I)cc1 2026221837 QALVYFPXSIPFGL-AWEZNQCLSA-N 465.954 5.846 50 10 JKGE Cc1cc2sc([C@H](Br)c3cc(Br)c(Br)s3)cc2s1 2038895930 WNURWQUESHOUAR-LLVKDONJSA-N 487.101 7.342 50 10 JKGE Clc1ccccc1[C@@H](Br)Cc1c(Br)cccc1Br 2050572575 XUEDAYXDYGFLII-ZDUSSCGKSA-N 453.399 6.544 50 10 JKGE FC(F)c1cccc([C@@H](Br)c2cc(Br)c(Br)s2)c1 2052471783 OBNKUEWKICODMI-SNVBAGLBSA-N 460.963 6.695 50 10 JKGE CO[C@@H]1C[C@@H]([C@@H](Br)c2cc(Br)c(Br)s2)C12CCC2 2070184941 PMXGQWAIIGFYKF-WHGOUJPWSA-N 459.041 5.914 50 10 JKGE COc1cc([C@H](Br)c2sc(C)cc2Br)ccc1Br 2072061413 QCQPZQJXSYXQMJ-LBPRGKRZSA-N 455.009 6.074 50 10 JKGE COc1cc(C)c([C@@H](Br)c2nscc2Br)cc1Br 2078008154 RZFNAFFBGSCJQF-LLVKDONJSA-N 455.997 5.469 50 10 JKGE BrCCC1(NCc2ccc(Br)cc2Br)CCCCC1 2092268296 WKRCGLCVIVFSTI-UHFFFAOYSA-N 454.044 5.789 50 10 JKGE CN(CCN(Cc1ccccc1)Cc1ccccc1-c1nc(CCl)cs1)Cc1ccccc1 2095880368 ZJSRVEJZTPBRAC-UHFFFAOYSA-N 476.089 6.683 50 10 JKGE Fc1cc(Cl)c([C@H](Br)c2c(Cl)sc(Br)c2Cl)cc1F 2112345030 SVSMWYFDBABOLL-QMMMGPOBSA-N 471.375 7.233 50 10 JKGE Cc1c(Br)ccc([C@H](Cl)c2nn(C)c(Cl)c2Br)c1Br 2138850461 MIUFSIINNZAPID-JTQLQIEISA-N 491.836 5.998 50 10 JKGE ClCc1nc2cncc(Br)c2n1-c1cc(I)ccc1Cl 2151791255 VVUVNCHKLQGDBJ-UHFFFAOYSA-N 482.934 5.180 50 10 JKGE Brc1ccc(Br)c([C@@H](Br)c2ccc3c(c2)COCC3)c1 2152735748 VIQNDCIFAVFMQD-INIZCTEOSA-N 460.991 5.769 50 10 JKGE Fc1ccc([C@H](Br)c2sc(Cl)cc2Br)cc1C(F)(F)F 2154474982 FPMQOGGUNSTMRQ-JTQLQIEISA-N 452.492 6.806 50 10 JKGE CC(C)(CBr)[C@H]1CCCN1C(=O)c1cc(Br)cc(Br)c1 2155825745 SOKITJBBZNEPQE-CYBMUJFWSA-N 468.027 5.237 50 10 JKGE ClCCc1nc2cc(Br)c(Cl)cc2n1[C@]12C[C@H]1CN(Cc1ccccc1)C2 2160065318 JLTXXESZVQHDGG-BTYIYWSLSA-N 465.222 5.465 50 10 JKGE C[C@H]1C[C@@H](n2c(CCl)nc3cc(Cl)c(Br)cc32)CCN1Cc1ccccc1 2168999707 WREKQGMZSGEZAU-HOCLYGCPSA-N 467.238 6.417 50 10 JKGE CN(C(=O)c1ccc(I)c(Cl)c1)C1(CBr)CCCCC1 2170167504 XMAMEFIKJPSGKC-UHFFFAOYSA-N 470.576 5.114 50 10 JKGE BrCc1cc(Br)cc(Br)c1OCC1C[C@H]2CCC[C@@H]2C1 2183361555 YZHDXNSHMJFTSU-VXGBXAGGSA-N 467.039 6.312 50 10 JKGE CN(CCCCCn1c(CCCl)nc2cc(I)ccc21)Cc1ccccc1 2184094837 LSVHCGDRVWMAPC-UHFFFAOYSA-N 495.836 5.725 50 10 JKGE C[C@@H]1C[C@H](n2c(CCl)nc3cc(F)c(Br)cc32)CN(Cc2ccccc2)C1 2184260717 OBZJUQYWWYPIOJ-ZBFHGGJFSA-N 450.783 5.760 50 10 JKGE CC(C)(C)[C@@H]1[C@H](Br)CCN1C(=O)c1cccc(Br)c1Br 2185106859 BCWDZWREJBOVAC-YPMHNXCESA-N 468.027 5.236 50 10 JKGE BrCc1cc(Br)c(OC[C@@H]2C[C@@]23CCCOC3)c(Br)c1 2198178853 JBGWGJCZHIKEQL-XHDPSFHLSA-N 469.011 5.302 50 10 JKGE Cc1cc(Br)c(F)c([C@@H](Br)c2cc(Br)c(Cl)cc2C)c1 2202364274 KBPNTIVFUFXOIA-AWEZNQCLSA-N 485.416 7.105 50 10 JKGE O=C(c1csc(Br)c1Br)N1CC[C@@H]2CC[C@H](Br)C[C@H]2C1 2204107862 VSPRSAXADFQUPB-GUBZILKMSA-N 486.067 5.299 50 10 JKGE CC(C)OC[C@@H](Br)Cc1sc(Br)c(Br)c1Br 2212199442 CLJIHGUKAYJSDQ-LURJTMIESA-N 499.888 5.767 50 10 JKGE C[C@@]1([C@@H](Br)c2c(Br)cc(Cl)c(Cl)c2Cl)COCCO1 2224313814 VPOSXOSXESLRGU-RYUDHWBXSA-N 453.385 5.651 50 10 JKGE Cc1c(Br)sc([C@H](Br)[C@@H]2OC[C@H]3CCCC[C@H]32)c1Br 2224935079 AJSJUZZJKRIBBV-CNVPUSNMSA-N 473.068 6.223 50 10 JKGE Clc1cc(Br)c([C@H](Br)C2CC(C3CCC3)C2)c(Cl)c1Cl 2232514710 WNDSLQVCVGEGSC-KJHLLKJSSA-N 461.452 7.672 50 10 JKGE Fc1cc(Br)cc2c1nc(CCl)n2[C@H]1CCOC[C@H]1OCc1ccccc1 2232918154 HMXPRODLLYAYCX-FUHWJXTLSA-N 453.739 5.224 50 10 JKGE C[C@@H](CCCl)N(Cc1ccccc1)C(=O)Cc1cc(Br)cc(Br)c1 2252799214 GZCPXGJNBIEJKO-AWEZNQCLSA-N 473.636 5.800 50 10 JKGE CCn1cc([C@@H](Br)c2sc(C)c(C)c2Br)nc1Br 2253504291 KGFDWLLDMBXHHF-SNVBAGLBSA-N 457.029 5.591 50 10 JKGE Cc1ccc([C@@H](Br)c2c(F)cc(Br)c(F)c2Br)s1 2259999087 LIVMBRCFTLZLHJ-SNVBAGLBSA-N 460.963 6.344 50 10 JKGE Fc1cc(Br)c(F)c(Br)c1[C@H](Br)C(F)(F)C(F)F 2260072925 FGADEQQJQYCRGA-ZETCQYMHSA-N 464.823 5.826 50 10 JKGE Fc1cc(Br)c(F)c(Br)c1[C@H](Br)[C@H]1[C@H]2CCCC[C@H]21 2272841731 NMLLHZZRARQZOB-BQIHAETKSA-N 458.966 6.362 50 10 JKGE Fc1cc(C[C@H](Br)c2cc(Br)cc(Br)c2)ccc1Cl 2277908558 AYYINYLEPXBKLD-LBPRGKRZSA-N 471.389 6.683 50 10 JKGE FC(F)[C@@H]1CCC[C@H]1[C@@H](Br)Cc1cc(Br)cc(Br)c1 2277954744 GGDQYSISVKSUNO-UPJWGTAASA-N 460.982 6.199 50 10 JKGE Clc1ccc(Br)c([C@@H](Cl)Cc2cc(Br)cc(Br)c2)c1 2277963343 SYJNBOUDBUOHNK-AWEZNQCLSA-N 487.844 7.150 50 10 JKGE COc1cc(OC)c([C@H](Br)c2ccccc2I)cc1Cl 2279137918 UQSZPVACUCYYOG-OAHLLOKOSA-N 467.528 5.446 50 10 JKGE COc1ccc([C@H](Br)c2c(Cl)cccc2Cl)c(Br)c1Cl 2283562346 KBERIMPUNADJBD-LBPRGKRZSA-N 459.392 6.902 50 10 JKGE CCOc1ccc(C)cc1[C@H](Br)c1ccc(Cl)c(I)c1 2283575533 WEBSFWFAJMAHHG-MRXNPFEDSA-N 465.556 6.136 50 10 JKGE Clc1ccc([C@@H](Br)Cc2ccc3c(c2)CCO3)cc1I 2283618714 IMORZZJUBLJVEN-ZDUSSCGKSA-N 463.540 5.558 50 10 JKGE Fc1cc(Cl)c([C@@H](Cl)c2cc(C3CC3)c(Br)s2)cc1Br 2285986498 XCRRCHBHDKHKCT-CYBMUJFWSA-N 459.005 7.271 50 10 JKGE COc1cc(C=C(C#N)C(=O)Nc2ccccc2C(=O)O)cc(Cl)c1OCc1ccccc1Cl 2293591323 VKOCCLPKIWTSGD-UHFFFAOYSA-N 497.334 5.825 50 10 JKGE CCOc1cc(C=C(C#N)C(=O)Nc2ccccc2C)ccc1OCc1ccc(C(=O)O)cc1 2294146973 NTUYWWVQQRCUCC-UHFFFAOYSA-N 456.498 5.217 50 10 JKGE COc1c(Br)cc([C@@H](Br)c2cocc2Br)c(OC)c1C 2295416119 FPNCZNHFIWYJEF-GFCCVEGCSA-N 468.967 5.615 50 10 JKGE COc1cc(OC)c([C@H](Br)c2cc(C)c(Br)o2)cc1Br 2295422390 YDBSSEFDXQOHLM-ZDUSSCGKSA-N 468.967 5.615 50 10 JKGE N#CC(=Cc1ccc(-c2ccc(Br)cc2)o1)c1nc2cc(Br)cnc2[nH]1 2297497858 VLNRUPLOXPWHHW-UHFFFAOYSA-N 470.124 5.807 50 10 JKGE COc1sc([C@@H](Br)c2csc(C)c2Br)cc1Br 2303644628 TVBGAENNFGQTNR-JTQLQIEISA-N 461.038 6.136 50 10 JKGE CC(C)(C)[C@H](Br)CCCc1ccc(I)c(Br)c1 2306200259 VWKOTKIKJBLGQN-CYBMUJFWSA-N 474.018 6.186 50 10 JKGE FC1(F)[C@@H]2CC[C@@H]([C@@H](Br)c3c(Br)sc(Br)c3Cl)[C@@H]21 2308643260 RZGXPVKWAYYWMN-ZCBVHYEASA-N 485.413 6.654 50 10 JKGE Cc1c(Cl)cccc1NC(=O)C(C#N)=Cc1ccc(OCc2ccc(Cl)c(Cl)c2)cc1 2313667099 FUQBTNFECLRBPE-UHFFFAOYSA-N 471.771 7.080 50 10 JKGE Cc1ccc([C@@H](Br)c2cc(Br)ccc2OCc2ccccc2)c(Cl)c1 2314447931 CSDOFSKIEPOFHO-OAQYLSRUSA-N 480.627 7.474 50 10 JKGE C[C@]1(C(F)(F)F)C[C@H]1[C@H](Br)c1cc(Br)ccc1OCc1ccccc1 2314460691 OAIZQRPLOFQSTR-JQHSSLGASA-N 478.146 7.053 50 10 JKGE Brc1cc(OCc2ccccc2)ccc1[C@H](Br)[C@]12CCC[C@H]1OCC2 2314504020 YLOAUSACOGPEQE-HKBOAZHASA-N 466.213 6.423 50 10 JKGE Cc1cccc(NC(=O)C(C#N)=Cc2c(Oc3ccc(Cl)c(C)c3)nc3ccccn3c2=O)c1 2314532803 MFBQRLWSTRJKMT-UHFFFAOYSA-N 470.916 5.303 50 10 JKGE CC1=C(C#N)C(=O)N(C[C@H]2CCCO2)C(=O)C1=Cc1ccc(-c2cc(Cl)ccc2Cl)o1 2314618606 QGGMTILMSZLIQH-MRXNPFEDSA-N 457.313 5.025 50 10 JKGE COc1cc(C=C(C#N)c2ccc(Cl)cc2)ccc1OC(=O)COc1ccc([N+](=O)[O-])c(C)c1 2314808140 AUUVKYVGJKBHHW-UHFFFAOYSA-N 478.888 5.614 50 10 JKGE Cc1ccc([C@@H](C)[C@@H](Br)c2sc(Cl)cc2I)cc1 2316768717 BVQOXDBGLCZVOX-NOZJJQNGSA-N 455.586 6.554 50 10 JKGE BrC[C@H]1C[C@@H]2CCC[C@@H]2N1Cc1cccc(Br)c1Br 2329617091 ODZOZLYDNFRVQG-SUHUHFCYSA-N 452.028 5.350 50 10 JKGE CCCCc1ccc(-c2csc(C(C#N)=C(O)CCCN3C(=O)c4ccccc4C3=O)n2)cc1 2331256025 ORHRUNLRJHQWHX-UHFFFAOYSA-N 471.582 6.022 50 10 JKGE COc1c(Cl)cc(-c2csc(C(C#N)=C(O)C=Cc3ccc(Cl)c(Cl)c3)n2)cc1Cl 2331396486 FKGOUHKBPXETKR-UHFFFAOYSA-N 498.218 7.938 50 10 JKGE C[C@@H]1CCC[C@@](CBr)(Cc2ccc(Cl)c(I)c2)CC1 2337227472 LGXPHLNJGQWBHP-WBMJQRKESA-N 455.605 6.469 50 10 JKGE CCC1([C@H](Br)c2c(C)cc(Br)c(OC)c2Br)CCC1 2339656055 KCEYVOUEEOMEPA-CQSZACIVSA-N 455.028 6.545 50 10 JKGE COc1c(Br)cc(C)c([C@H](Br)[C@]2(C)CC2(C)C)c1Br 2339689197 BZPLFGFSNUPWGD-ZFWWWQNUSA-N 455.028 6.401 50 10 JKGE Fc1c(Br)cc(Cl)c([C@H](Br)[C@@]23CCC[C@@H]2OCC3)c1Br 2362225138 UOSSNQNQBBLELZ-QCZZGDTMSA-N 491.420 6.399 50 10 JKGE Brc1cc(Br)cc(CO[C@H]2C[C@@H](Br)C23CCCCC3)c1 2362239317 LIWFHUDWYSGHBF-CABCVRRESA-N 467.039 6.215 50 10 JKGE Clc1ccc(C[C@@H](CBr)Cc2ccccc2Cl)cc1I 2362378103 GGKWAPQFLIPHOG-GFCCVEGCSA-N 484.002 6.394 50 10 JKGE COc1c(Br)cc(C)c([C@H](Br)C[C@@H]2CC[C@H]3C[C@@H]32)c1Br 2365238233 XCPRQIAJHNYOQV-FIQHERPVSA-N 467.039 6.401 50 10 JKGE CN(CC[C@@H](Cl)c1cccs1)C(=O)c1csc(Br)c1Br 2365969907 HXCDWJUCZWBVBX-SECBINFHSA-N 457.640 5.777 50 10 JKGE COc1c(F)cc([C@H](Cl)c2ccc(I)c(Br)c2)cc1F 2370459775 JCCIEFWBLYNXTG-CYBMUJFWSA-N 473.482 5.669 50 10 JKGE ClC[C@H](CCc1ccccc1)Cc1ccc(I)c(Br)c1 2377334151 HBOCCGRFMBEPSS-OAHLLOKOSA-N 463.584 6.084 50 10 JKGE O=C(COc1ccc2cc(Br)ccc2c1Br)NN=C1CCCCC1 12491453 QQEGSSATOSQZCI-UHFFFAOYSA-N 454.162 5.180 50 10 JKGE CC(C)c1ccc(OCC(=O)NNC(=O)COc2ccc(C(C)(C)C)cc2C(C)(C)C)cc1 14661619 XKKIWXCCECYIEO-UHFFFAOYSA-N 454.611 5.010 50 10 JKGE CCOc1cc(C=NNC(=O)c2cc3cc(Br)ccc3o2)cc(Cl)c1OCC 17167032 YEZOBMQYDQJXFB-UHFFFAOYSA-N 465.731 5.410 50 10 JKGE O=C(CCc1cccs1)NNC(=O)c1ccc(CSc2nc3ccccc3s2)cc1 23146681 KPOVESACPVYJAI-UHFFFAOYSA-N 453.614 5.044 50 10 JKGE N#C/C(=C/c1ccc(OCc2ccc(Cl)cc2Cl)c(Cl)c1)C(=O)NCc1ccco1 35153107 MYZHQXYLESLOCQ-PXNMLYILSA-N 461.732 6.042 50 10 JKGE CC1=C(C#N)C(=O)N(Cc2ccc(C)cc2)C(=O)/C1=C/c1ccc(-c2cccc(Cl)c2Cl)o1 38608404 SDODLPCCHXOKPL-UDWIEESQSA-N 477.347 6.354 50 10 JKGE CC(C)(C)c1ccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4ccc(Cl)cc4Cl)ccc32)cc1 38649740 WXMZQLLLUOBNKG-DEOSSOPVSA-N 493.390 6.728 50 10 JKGE N#CC1=C(N)Oc2cc(OC(=O)c3ccc(F)cc3)ccc2[C@H]1c1cccc(Oc2ccccc2)c1 38660780 UCGXEIDRWHVDEX-HHHXNRCGSA-N 478.479 6.055 50 10 JKGE N#CC1=C(N)Oc2cc(OC(=O)c3ccc(F)cc3)ccc2[C@H]1c1cccc(OCc2ccccc2)c1 38686521 DCTFUYMZOAKVPF-MUUNZHRXSA-N 492.506 5.842 50 10 JKGE Cc1ccccc1Oc1nc2c(C)cccn2c(=O)c1/C=C(/C#N)C(=O)Nc1ccc(Cl)cc1 39858894 YCTFKAXNWWVRIY-JXAWBTAJSA-N 470.916 5.303 50 10 JKGE Cc1cccc(C(=O)Oc2ccc(Br)cc2/C=N/NC(=O)c2ccc(C(C)(C)C)cc2)c1 48572813 YSKXINPZOXZKSI-LQKURTRISA-N 493.401 6.038 50 10 JKGE O=C(N/N=C/c1ccc(COc2ccc(Br)cc2)cc1)c1cccc(Br)c1 59367777 CVLZRADHSLJHMS-ZMOGYAJESA-N 488.179 5.555 50 10 JKGE Cc1ccc(C)c(OCCCC(C)(C)C(=O)NNC(=O)C(c2ccccc2)c2ccccc2)c1 66201406 MVLWKVNMXIWLKX-UHFFFAOYSA-N 458.602 5.468 50 10 JKGE Cc1ccc(C)c(OCCCC(C)(C)C(=O)NNC(=O)COc2cc(C)ccc2C(C)C)c1 66201443 FGXGTENBEIQMBD-UHFFFAOYSA-N 454.611 5.147 50 10 JKGE N#C/C(=C/c1ccc(-c2ccc(Cl)c(C(F)(F)F)c2)o1)c1ccc(Br)cc1 96021939 AUJLYBPFOGATDC-ZROIWOOFSA-N 452.657 7.445 50 10 JKGE CC(C)(C)[C@@H](CBr)COc1c(I)cc(Cl)c2cccnc12 96871356 NWRHDOPQMPHSMQ-JTQLQIEISA-N 482.587 5.929 50 10 JKGE CSc1ccccc1[C@@H](Br)c1cc(Br)sc1Br 98021686 JHBFBHVLLHBYKL-LLVKDONJSA-N 457.050 6.479 50 10 JKGE N#C/C(=C/Nc1ccccc1OC(F)(F)[C@@H](F)Cl)c1nc(-c2cccc([N+](=O)[O-])c2)cs1 102420288 LLTPCLKVQJZCOY-QTJNJRLBSA-N 480.855 6.201 50 10 JKGE CCCCCCCCOc1ccc(/C=C(/C#N)C(=O)Nc2sc3c(c2C(N)=O)CCCC3)cc1 103012053 YCUGVXQYHGCRPP-JZJYNLBNSA-N 479.646 6.011 50 10 JKGE COc1ccc(Br)cc1C[C@@H](CBr)c1ccc(Br)cc1 118851470 LJMQZKVEZIXMML-ZDUSSCGKSA-N 463.007 5.941 50 10 JKGE COc1ccc(Br)cc1CC(CBr)(CBr)C1CCCC1 160151285 CAWBELWCPDNXGJ-UHFFFAOYSA-N 469.055 5.967 50 10 JKGE CCCN1C(=O)C(C#N)=C(C)/C(=C/c2cn(-c3ccccc3)nc2-c2cc(C)c3c(c2)C[C@@H](C)O3)C1=O 214220121 SQXWBCOLOUQLIQ-MGKUZBKYSA-N 492.579 5.173 50 10 JKGE C[C@H](NC(=O)/C(C#N)=C\N(Cc1ccccc1)Cc1ccccc1)C12CC3CC(CC(C3)C1)C2 217044146 XQPBRMWMSKEBBF-OISNECBBSA-N 453.630 5.817 50 10 JKGE Clc1ccc([C@@H](Br)c2csc3c(Br)cccc23)cc1Br 236075478 JPKYJRBRYILNKC-CQSZACIVSA-N 495.461 7.564 50 10 JKGE O=C(COc1ccc(-c2ccccc2)cc1)NN=Cc1cn(Cc2ccccc2)c2ccccc12 254342382 WBWKEGCSLPXNKD-UHFFFAOYSA-N 459.549 5.886 50 10 JKGE Cc1ccccc1COc1ccc(C=NNC(=O)CSc2nnc(-c3ccccc3)s2)cc1 256028415 KOAUBFCVVRCULO-UHFFFAOYSA-N 474.611 5.335 50 10 JKGE Clc1cc(Br)ccc1[C@H](Br)c1cc2c(cc1Br)OCC2 308410989 FHLLBVRLHBLXPP-HNNXBMFYSA-N 481.409 6.284 50 10 JKGE Cc1cc(C(=O)[C@H](C)Cl)c(C)n1-c1ccc(I)c(Br)c1 312565945 KXUOHVJTMLGYAI-VIFPVBQESA-N 466.544 5.271 50 10 JKGE Fc1cc2c(cc1I)nc(CCl)n2Cc1ccsc1Br 388527843 GTJUIPBQHLQYJR-UHFFFAOYSA-N 485.547 5.391 50 10 JKGE CC[C@H](CC(F)(F)F)[C@@H](Br)c1cc(Br)sc1Br 402600808 CVLOPCHGOMJADV-SVGQVSJJSA-N 458.963 6.688 50 10 JKGE CC(C)(C)OC(=O)NCCN1CC[C@H](c2ccc(CO[Si](C)(C)C(C)(C)C)cc2)c2ccccc21 616674600 GTQUFMQHOQQHMR-XMMPIXPASA-N 496.768 7.075 50 10 JKGE C[C@H](Br)[C@H]1CCCCN1C(=O)c1scc(Br)c1Br 688887563 PGHYFALTUMDMHV-IONNQARKSA-N 460.029 5.051 50 10 JKGE Cc1cc([C@H](Br)c2ccc(F)c(Br)c2F)ccc1Br 691627587 AEABYABVLSAECS-LBPRGKRZSA-N 454.934 6.283 50 10 JKGE COc1cc(C)c(Br)cc1[C@H](Br)c1ncsc1Br 698648780 RIFGLWOOCWCLIN-JTQLQIEISA-N 455.997 5.469 50 10 JKGE Cc1ccc([C@H](Br)c2ccc(Cl)c(Br)c2)c(C)c1Br 719537460 PTFJAMVSTZRWBK-OAHLLOKOSA-N 467.426 6.966 50 10 JKGE CCOc1cc(C=NNC(=O)Cc2ccc(Cl)cc2)ccc1OCc1ccccc1Cl 1083968514 DYGAPHBAJCTKBB-UHFFFAOYSA-N 457.357 5.664 50 10 JKGE O=C(CSc1nc2ccccc2[nH]1)NN=Cc1ccc(OCc2ccc(Cl)c(Cl)c2)cc1 1084373210 TUYSNMIPBUBLSW-UHFFFAOYSA-N 485.396 5.691 50 10 JKGE CCn1c2ccccc2c2cc(C=NNC(=O)[C@@H](C)Oc3ccc(Cl)cc3Cl)ccc21 1084541727 FEBDMLOJMKZGCJ-OAHLLOKOSA-N 454.357 6.039 50 10 JKGE COc1cc([N+](=O)[O-])ccc1-n1c(C)cc(/C=C(\C#N)C(=O)Nc2cccc(Cl)c2Cl)c1C 1084599818 RNGSVDGTTOKKQO-MHWRWJLKSA-N 485.327 5.863 50 10 JKGE Cc1cc(/C=C(\C#N)C(=O)Nc2cccc(Cl)c2Cl)c(C)n1-c1ccc(C(=O)O)cc1 1084639736 LYWFYHZSRIHGIJ-GZTJUZNOSA-N 454.313 5.645 50 10 JKGE O=C(OCc1ccccc1)N1C[C@H](c2cc(C(F)(F)F)ccc2Br)[C@@H](CCl)C1 1614695936 VOOVIFQTQUBHTB-YOEHRIQHSA-N 476.720 6.059 50 10 JKGE CCCCCCCC(=O)NN=Cc1ccc(OC(=O)c2ccc(OC)c(OC)c2)c(OCC)c1 1772720387 MVULQLPXWSAENN-UHFFFAOYSA-N 470.566 5.132 50 10 JKGE Cc1cccc(C(=O)NN=C2CCCc3oc(C(=O)Nc4cccc(C(F)(F)F)c4)c(C)c32)c1 1772744453 DQFHKGGXSQQOIO-UHFFFAOYSA-N 469.463 5.638 50 10 JKGE CCCOc1ccc(C=NNC(=O)Nc2sc3c(c2C(=O)OCC)CC[C@H](C)C3)cc1OC 1772753077 FMPTYHSJLXKYOW-HNNXBMFYSA-N 473.595 5.003 50 10 JKGE N#CC1=C(N)Oc2c(c(-c3ccccc3)nn2-c2ccc(Cl)c(Cl)c2)[C@H]1c1ccccc1Cl 1865685617 KWVQYMPMTAMYIP-NRFANRHFSA-N 493.781 6.718 50 10 JKGE CC(C)c1ccc([C@H]2C(C#N)=C(N)Oc3c2c(-c2ccccc2)nn3Cc2cccc(F)c2)cc1 1865686154 RYGOFQNPDDISEF-VWLOTQADSA-N 464.544 6.079 50 10 JKGE CCCc1nn(-c2ccc(Cl)cc2)c2c1[C@@H](c1ccc(Cl)cc1Cl)C(C#N)=C(N)O2 1865686422 VSESXJNYHLCJQI-IBGZPJMESA-N 459.764 6.003 50 10 JKGE Cc1ccc(O)c([C@@H]2C(C#N)=C(N)Oc3c2c(-c2ccccc2)nn3Cc2cccc(Cl)c2)c1 1865686892 DMKCIULHAGYWMW-HSZRJFAPSA-N 468.944 5.484 50 10 JKGE CCCCCOc1ccc([C@@H]2C(C#N)=C(N)Oc3c2c(-c2ccccc2)nn3C)cc1OCC 1865691610 WJULHIKBCFIMFQ-HSZRJFAPSA-N 458.562 5.273 50 10 JKGE CCCOc1cccc([C@H]2C(C#N)=C(N)Oc3c2c(-c2ccccc2)nn3Cc2ccc(C)cc2)c1 1865692549 CBZGYBQDUWTYQJ-SANMLTNESA-N 476.580 5.914 50 10 JKGE CCOc1ccc([C@@H]2C(C#N)=C(N)Oc3c2c(C(F)(F)F)nn3Cc2cccc(Cl)c2)cc1 1865693206 IHGBDKPZTOTDJG-GOSISDBHSA-N 474.870 5.220 50 10 JKGE CCN(CC)c1ccc([C@H]2C(C#N)=C(N)Oc3c2c(C(F)(F)F)nn3-c2ccccc2Cl)cc1 1865702588 XMHAMAJNBZQNQJ-IBGZPJMESA-N 487.913 5.609 50 10 JKGE Cc1ccc(C)c(Cn2nc(-c3ccccc3)c3c2OC(N)=C(C#N)[C@H]3c2ccccc2C(=O)O)c1 1865703737 DJIDUBOCFYNJEX-XMMPIXPASA-N 476.536 5.132 50 10 JKGE N#CC1=C(N)Oc2c(c(-c3ccccc3)nn2Cc2ccccc2Cl)[C@@H]1c1ccc(C(=O)O)cc1 1865709296 TYJZSKRVUXTNPM-JOCHJYFZSA-N 482.927 5.168 50 10 JKGE CCc1nc(Nc2ccc(SC#N)cc2)cc(N2CCS[C@H](c3ccc(OC)cc3)C2)n1 1868278007 PCBJVXBNNIGQSD-NRFANRHFSA-N 463.632 5.659 50 10 JKGE Cc1nc(Nc2ccc(SC#N)cc2)cc(N2CCc3ccccc3[C@@H]2c2cccc(Cl)c2)n1 1868480416 NQERCRYQALRJSD-MHZLTWQESA-N 484.028 6.907 50 10 JKGE Cc1ccc(C(C)(C)C)cc1-c1csc(/C(C#N)=C(\O)c2ccc3c(c2)C(=O)N(CC(C)C)C3=O)n1 1872756204 UMUNRDIWLRVWNR-BZZOAKBMSA-N 499.636 6.618 50 10 JKGE COc1ccc(-c2csc(/C(C#N)=C/c3ccc(OCc4ccc(Cl)cc4Cl)cc3)n2)cc1 1872781173 XESKJDSSOKHDQP-UDWIEESQSA-N 493.415 7.769 50 10 JKGE CCCCCOc1ccc(/C=C(\C#N)c2nc(-c3ccc(OC)c(F)c3)cs2)cc1OCC 1872792356 UIAFQOXGVXFXHE-DEDYPNTBSA-N 466.578 6.990 50 10 JKGE Cc1cc(-c2csc(/C(C#N)=C(\O)CCCN3C(=O)c4ccc([N+](=O)[O-])cc4C3=O)n2)ccc1F 1873920229 AMMPMTGMEHZARJ-UZYVYHOESA-N 492.488 5.035 50 10 JKGE CC(C)(C)c1ccc(C(=O)NC/C(O)=C(\C#N)c2nc(-c3ccc4ccccc4c3)cs2)cc1 1873940684 CKUDKQUNBDZWGH-BZZOAKBMSA-N 467.594 6.483 50 10 JKGE Cn1cnc(Br)c1[C@@H](Br)c1cc(Br)sc1Br 1900420669 NJGGGKURIMYXLI-LURJTMIESA-N 493.844 5.253 50 10 JKGE CCC[C@@](C)(CBr)Cc1ccc(I)c(Br)c1 1904344755 YDCVAVPLJFTCAP-CYBMUJFWSA-N 459.991 5.798 50 10 JKGE C[C@H]1CCN(Cc2ccccc2)C[C@H]1n1c(CCl)nc2c(Br)cc(F)cc21 1912653024 JHQQNODOOFOZQV-IFXJQAMLSA-N 450.783 5.760 50 10 JKGE CCOc1ccc([C@H](Br)c2c(C)nsc2Br)c(Br)c1 1912974691 KPAXMJHAMPTIDF-LBPRGKRZSA-N 470.024 5.860 50 10 JKGE CCN(c1cc(Br)ccc1CBr)[C@@H]1CCN(Cc2ccccc2)C1 1915068273 VCVBSRQHIYQDSO-LJQANCHMSA-N 452.234 5.445 50 10 JKGE COc1ccc(Br)cc1C(=O)N(Cc1ccccc1)[C@H](C)CCBr 1915083919 WXWZZUSPNKDYFP-CQSZACIVSA-N 455.190 5.274 50 10 JKGE CC[C@@H](Br)CN(Cc1ccccc1)C(=O)c1ccc(Br)c(C(F)(F)F)c1 1915099975 ZNPTXRLKYYTMMM-OAHLLOKOSA-N 493.161 6.284 50 10 JKGE Clc1ccc(C[C@H](Br)c2cccc(Br)c2Br)nc1 1918194438 PKUVJIDNQGATCP-LBPRGKRZSA-N 454.387 5.939 50 10 JKGE Cc1oc(Br)cc1[C@H](Br)c1sc(Br)cc1Br 1922890883 HMLBECNQVHZEKW-VIFPVBQESA-N 493.840 6.421 50 10 JKGE Cc1c(Br)sc([C@H](Br)[C@@H]2CC23CCOCC3)c1Br 1922906424 JELAULKTLVLKLN-WCBMZHEXSA-N 459.041 5.834 50 10 JKGE Cc1c(Br)sc([C@H](Br)[C@@H]2C[C@@H]3CCCC[C@H]32)c1Br 1922931007 YFSQSBKZVUKBHY-BTQIBKBOSA-N 457.069 6.844 50 10 JKGE CC1(C)[C@@H]2CC([C@H](Br)c3c(Br)sc(Br)c3Cl)C[C@H]21 1923068615 UNXBZUZVSACWIE-BHNWBGBOSA-N 477.487 7.045 50 10 JKGE Cc1cscc1[C@H](Br)c1c(Br)sc(Br)c1Cl 1923070461 AVFDGNDBTLORQH-ZETCQYMHSA-N 465.457 6.781 50 10 JKGE COc1csc([C@@H](Cl)c2c(Br)sc(Br)c2Br)c1 1924583274 ICKURNXUDBHSCU-MRVPVSSYSA-N 481.456 6.434 50 10 JKGE Fc1cccc([C@H](Cl)c2c(Br)sc(Br)c2Br)c1 1924584105 TXMIUQLGRRFLEO-VIFPVBQESA-N 463.391 6.503 50 10 JKGE CC(C)C[C@H](C(C)C)[C@H](Cl)c1c(Br)sc(Br)c1Br 1924615621 DPHGCLLXBFJPPR-KCJUWKMLSA-N 481.519 7.634 50 10 JKGE O=C(NC[C@@H]1CCC2(CCC2)[C@H]1Br)c1cc(Br)c(Br)s1 1924802745 MPUQLNDPCDHABM-KWQFWETISA-N 486.067 5.347 50 10 JKGE Cc1sc(Br)c(C(=O)N(Cc2ccccc2)[C@H](C)CCBr)c1C 1939961881 CFHLVUSFCFVYAC-GFCCVEGCSA-N 459.247 5.943 50 10 JKGE CC[C@@H](Br)CN(Cc1ccccc1)C(=O)c1cc(I)ccc1F 1980671281 NLOCWYIKYUQSKR-CQSZACIVSA-N 490.154 5.246 50 10 JKGE Cl[C@@H](c1cc(C2CC2)c(Br)s1)c1csc(Br)c1Br 2033618613 HCGFZUNPJNGUOV-SNVBAGLBSA-N 491.495 7.303 50 10 JKGE CN(c1ccc(CBr)c(Br)c1)[C@@H]1CN(Cc2ccccc2)C(C)(C)C1 2037331029 GMPXMHLEOZEBJD-IBGZPJMESA-N 466.261 5.833 50 10 JKGE CN(c1cccc(Br)c1CBr)[C@H]1CC(C)(C)[C@H]1OCc1ccccc1 2038795367 STJIMYLUNIAJIE-PMACEKPBSA-N 467.245 6.164 50 10 JKGE Cc1nc([C@H](Br)c2cc(C)c(Br)cc2C)c(Br)s1 2050331436 NFNJSXFDHUEQEN-LLVKDONJSA-N 454.025 6.078 50 10 JKGE Cc1cc(Br)c(CBr)c(N2C[C@@H](C)N(Cc3ccccc3)C[C@H]2C)c1 2053210862 BYVCMDFEYOFYTN-IAGOWNOFSA-N 466.261 5.752 50 10 JKGE Cc1nn(C)c(Br)c1[C@@H](Br)c1c(Cl)sc(Cl)c1Cl 2065889944 HEAUPDSGVLTABY-ZCFIWIBFSA-N 453.414 5.997 50 10 JKGE Cc1ccc(C)c(Cn2nc(CBr)c(I)c2C(F)(F)F)c1 2079242519 ZIJDMAWHQPLVJM-UHFFFAOYSA-N 473.074 5.067 50 10 JKGE Fc1cccc(Br)c1[C@H](Cl)c1ccc(Br)cc1Br 2083331399 YTJCSMRHMPNTMZ-CYBMUJFWSA-N 457.362 6.441 50 10 JKGE Cn1nc(COc2c(Br)cccc2CBr)c(Br)c1Cl 2096684537 RDNNHTFHDVVPSV-UHFFFAOYSA-N 473.390 5.072 50 10 JKGE Fc1cc(Cl)c(Br)cc1[C@H](Br)c1ccc(Cl)c(Br)c1 2097834183 JGRLNFYRHGHYTG-CYBMUJFWSA-N 491.807 7.142 50 10 JKGE Cc1cc2sc([C@@H](Cl)c3c(Br)sc(Br)c3Cl)cc2s1 2100323512 VWUQQWPLJZQSCE-SECBINFHSA-N 477.095 7.839 50 10 JKGE Brc1ccc(Br)c([C@@H](Br)c2cc3ncccc3s2)c1 2108673872 QJKOAXVCTCXVDU-CQSZACIVSA-N 462.004 6.306 50 10 JKGE O=C(c1scc(Br)c1Br)N(CCBr)Cc1cccs1 2114640960 OBGWGXSCRDYNAZ-UHFFFAOYSA-N 488.064 5.372 50 10 JKGE COC1(C(F)(F)F)CC([C@H](Br)c2cc(Br)c(Br)s2)C1 2125555685 INAWPZKXBHFASR-KSHCCYOPSA-N 486.973 6.067 50 10 JKGE Cc1c(Br)ccc([C@H](Br)[C@H]2CC23CCOCC3)c1Br 2138850189 LPKJCIJYTXBQRL-RISCZKNCSA-N 453.012 5.773 50 10 JKGE Cc1c(Br)ccc([C@H](Br)[C@H]2C[C@@]2(C)C(F)(F)F)c1Br 2138871320 NHADRKRNECAOLW-JFUSQASVSA-N 464.945 6.545 50 10 JKGE Fc1ccc([C@@H](CBr)Cc2ccc(I)c(Cl)c2)cc1 2142939435 GVUXDHDLWBDBCQ-GFCCVEGCSA-N 453.520 5.805 50 10 JKGE O=[N+]([O-])c1cc(Oc2ccc(CBr)cc2Br)ccc1Br 2146407921 KZSNFXBRKGXGEY-UHFFFAOYSA-N 465.923 5.807 50 10 JKGE Cn1nc(C[C@@H](CBr)Cc2ccc(Br)cc2)c(Br)c1Cl 2152982125 WBQZQGKZEWCORK-JTQLQIEISA-N 485.445 5.395 50 10 JKGE CC[C@@H]1CN(C(=O)OCc2ccccc2)[C@H](CC)CN1C[C@H](CBr)c1ccccc1 2162985594 HWTNWJRFUBXNMF-RBZQAINGSA-N 473.455 5.677 50 10 JKGE CC(C)(C)OC(=O)N[C@H]1CN(CCCCCCCCCBr)C[C@H]1C(F)(F)F 2163057515 CAHUZLQZJOLPSK-CVEARBPZSA-N 459.391 5.499 50 10 JKGE O=C(c1cc(Br)sc1Br)N1CC[C@@](CBr)(C(F)(F)F)C1 2167681684 WOHBOTFUAOVNSM-JTQLQIEISA-N 499.972 5.063 50 10 JKGE FC(F)(F)c1csc([C@@H](Cl)c2c(Cl)cccc2Br)c1Br 2169460749 GSSBICGSUDBUAO-JTQLQIEISA-N 468.947 7.274 50 10 JKGE O=C(c1cccc(Br)c1Br)N(CCBr)Cc1ccsc1 2171086162 ZCTQMBVLCJNECL-UHFFFAOYSA-N 482.035 5.310 50 10 JKGE CC(C)(C)OC(=O)N1CC[S@](=O)(=NCC2(CBr)CCCCCC2)C(C)(C)C1 2189326115 ZRUKDEGJHMUYSY-HHHXNRCGSA-N 465.498 5.219 50 10 JKGE CC(C)Oc1cccc([C@@H](Br)c2ccc(Br)cc2Br)c1 2203687793 RFUUAQMKYOLRMY-MRXNPFEDSA-N 463.007 6.483 50 10 JKGE CCc1nc([C@H](Br)c2cc(Br)cc(C)c2OC)c(Br)s1 2206586053 HJPNQBYVCLBYLX-LLVKDONJSA-N 484.051 6.032 50 10 JKGE C[C@@H]1[C@@H](Cl)CCC[C@H]1c1sc(Br)c(Br)c1Br 2212198109 MJKHPAOWZODWDN-XVMARJQXSA-N 451.449 6.547 50 10 JKGE CCOCc1cc(Br)c([C@H](Br)c2ncsc2Br)s1 2217988256 QOCXIDKRLIECQU-MRVPVSSYSA-N 476.053 5.750 50 10 JKGE CC[C@H]([C@H](Br)c1cc(Br)c(Br)cc1F)C(C)(F)F 2218596807 HUPNTSTZQWRSAO-RDDDGLTNSA-N 452.934 6.468 50 10 JKGE CCc1cscc1[C@@H](Br)c1cc(Br)c(Br)cc1F 2218603022 ILOFHPMIBFDWMA-ZDUSSCGKSA-N 457.000 6.459 50 10 JKGE CCOCc1cc(Br)c([C@@H](Br)c2cnn(C)c2Br)s1 2224792438 QCEFLZMQYZDORE-JTQLQIEISA-N 473.028 5.027 50 10 JKGE Fc1ccc([C@@H](Br)c2c(Br)cccc2Br)c(F)c1F 2225918096 CNMNBXSSNMWHFA-LLVKDONJSA-N 458.897 6.113 50 10 JKGE Cc1c(Br)csc1[C@@H](Br)c1c(Br)cc(F)c(F)c1F 2226120068 BERDLCOSHKTSBY-VIFPVBQESA-N 478.953 6.483 50 10 JKGE Cc1cc(Br)c([C@@H](Cl)c2ccccc2Br)c(C)c1Br 2227350117 VPXVUNKZKVRGBW-HNNXBMFYSA-N 467.426 6.919 50 10 JKGE COC12CCC([C@@H](Br)c3c(Br)sc(Br)c3Cl)(CC1)C2 2231594328 IZZHJCMLXKKSSO-ALXWSUNGSA-N 493.486 6.712 50 10 JKGE Fc1ccc([C@H](Br)c2c(Br)cc(Cl)c(Cl)c2Cl)c(Cl)c1 2232515118 ZAFSALHSXPIRPK-NSHDSACASA-N 481.801 7.686 50 10 JKGE CCc1sc(Br)cc1[C@H](Cl)c1c(F)cccc1I 2255967100 XRAJNWIOZKLEIT-ZDUSSCGKSA-N 459.549 6.145 50 10 JKGE Fc1cc(Br)c(F)c(Br)c1[C@H](Br)[C@@H]1C[C@H]1C1CCC1 2272734401 MIHLMARQHKFHQB-JOAULVNJSA-N 458.966 6.362 50 10 JKGE Fc1cc([C@H](Cl)Cc2cc(Br)cc(Br)c2)ccc1Br 2277956654 PULTXAQAWKEYGM-CYBMUJFWSA-N 471.389 6.636 50 10 JKGE Cc1ccc([C@@H](Br)Cc2cc(Br)cc(Br)c2)c(F)c1 2277961212 QKNWCHVDMPCNNM-AWEZNQCLSA-N 450.971 6.338 50 10 JKGE COc1c(Br)cc(Cl)cc1[C@H](Br)c1cn(C)nc1Br 2277987622 WLJXZGWBXIYKJN-JTQLQIEISA-N 473.390 5.091 50 10 JKGE COc1cc(Cl)c(Cl)cc1[C@H](Cl)c1ccc(I)c(Cl)c1 2279048860 YHZXWPIHMQTBSM-CQSZACIVSA-N 461.941 6.588 50 10 JKGE Cc1sc(Br)c(C)c1[C@@H](Br)c1cc(Br)cc(C(C)C)c1 2280677639 UGPNZNFYEOBZEM-HNNXBMFYSA-N 481.091 7.498 50 10 JKGE Fc1cc([C@H](Cl)c2cc(Br)c(Cl)cc2F)c(Cl)cc1Br 2282899866 SZYHBGYQHHIWPQ-ZDUSSCGKSA-N 465.346 7.125 50 10 JKGE COc1ccc([C@@H](Br)c2ccc(Br)cc2F)c(Br)c1Cl 2283563954 PVRHCFDTSRKDDI-LBPRGKRZSA-N 487.388 6.497 50 10 JKGE COc1ccc([C@H](Br)C2(C)CCCCCCC2)cc1I 2285000036 ALEHQMXAMDHYRS-INIZCTEOSA-N 451.186 6.486 50 10 JKGE Fc1cc(Cl)c([C@@H](Br)Cc2ccc(Cl)c(Cl)c2)cc1Br 2285840881 PXWWQUVNDHXUOS-VIFPVBQESA-N 461.383 7.227 50 10 JKGE Cc1c(Br)cccc1[C@H](Cl)c1c(F)cc(Br)c(F)c1Br 2288497191 QDRPBDZEQZLFLF-ZDUSSCGKSA-N 489.379 6.889 50 10 JKGE BrCc1cc(Br)cc(Br)c1OC[C@@]12CCCC[C@H]1CC2 2289150781 AQMFKFJYEHOMHT-LRDDRELGSA-N 467.039 6.456 50 10 JKGE COc1cc(C=C(C#N)C(=O)NCc2ccccc2)ccc1OC(=O)C=Cc1ccc(Cl)cc1 2293190908 ZCJRDQVJMRXPHO-UHFFFAOYSA-N 472.928 5.191 50 10 JKGE FC1(F)CC[C@]2(C1)[C@@H](Br)C[C@@H]2Oc1cc(I)ccc1Cl 2295123069 YTJDCDVWOPMOSL-AVGNSLFASA-N 477.514 5.665 50 10 JKGE N#CC(=Cc1cn(Cc2ccc([N+](=O)[O-])cc2)c2ccccc12)C(=O)Nc1cccc(Cl)c1 2297561827 GVRSEUHAVNGUQA-UHFFFAOYSA-N 456.889 5.797 50 10 JKGE Fc1cc(Cl)c(Br)c(Cl)c1[C@H](Br)C1CC(Br)C1 2299029819 DZRFULFTIGVGDP-PACJAATDSA-N 469.801 6.505 50 10 JKGE CCC(F)(F)C(C)(C)[C@@H](Br)c1sc(Cl)cc1I 2300957878 UQHDRMCPMWFYDN-VIFPVBQESA-N 457.549 6.514 50 10 JKGE Cc1cc(Br)sc1[C@@H](Cl)c1ccc(Cl)cc1I 2301797304 VRMFNVJNDNGBKN-NSHDSACASA-N 461.977 6.405 50 10 JKGE CCN(Cc1ccc(I)c(Br)c1)C(C)(C)CBr 2306223945 LEBAGMUCDWTIBH-UHFFFAOYSA-N 475.006 5.049 50 10 JKGE N#CC(=Cc1cc(Cl)ccc1OCc1ccccc1Cl)C(=O)Nc1cccc(Cl)c1 2313630924 HZOAJASLBOLFRH-UHFFFAOYSA-N 457.744 6.771 50 10 JKGE CCOc1cc(C=C(C#N)C(=O)Nc2ccc(C)cc2C)ccc1OCc1ccc(Cl)c(Cl)c1 2313667745 USWILAIOGBYIAN-UHFFFAOYSA-N 495.406 7.134 50 10 JKGE Brc1ccc(OCc2ccccc2)c([C@H](Br)C[C@@H]2C[C@H]3CC[C@H]2C3)c1 2314489331 KHCJKKBECSWSKZ-RYLXDESZSA-N 464.241 7.290 50 10 JKGE Brc1ccc(OCc2ccccc2)c([C@H](Br)C[C@@H]2CCC[C@H]3C[C@@H]23)c1 2314493386 ZQTIJQPBGOGIAP-MHYXUVESSA-N 464.241 7.290 50 10 JKGE CC1=C(C#N)C(=O)N(Cc2ccccc2)C(=O)C1=Cc1cn(-c2ccccc2)nc1-c1ccccc1 2314609940 ADNXTGUWLWXDGM-UHFFFAOYSA-N 470.532 5.332 50 10 JKGE CCCN1C(=O)C(=Cc2cn(-c3ccccc3)nc2-c2ccc(OCC)cc2C)C(C)=C(C#N)C1=O 2314610411 HWSYRIWQPSVJNG-UHFFFAOYSA-N 480.568 5.249 50 10 JKGE CCOc1cc(C=C2C(=O)N(CC)C(=O)C(C#N)=C2C)ccc1OCc1ccc(Cl)cc1Cl 2314610499 IWBJGKGZXYGHBV-UHFFFAOYSA-N 485.367 5.583 50 10 JKGE COc1ccc(C=CC(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@H]3c2ccc(SC)cc2)cc1 2314634380 KDWAQFHPNALZEA-SANMLTNESA-N 470.550 5.254 50 10 JKGE CCCNC(=O)C(C#N)=Cc1ccc(OC(=O)c2sc3ccc(OC)cc3c2Cl)c(OC)c1 2314792552 UFLBXKLLCCQUBU-UHFFFAOYSA-N 484.961 5.224 50 10 JKGE Cc1ccc([C@H](Br)c2c(Cl)cc(Br)c(F)c2Br)s1 2315458379 LZHGRVKUVAQNNH-JTQLQIEISA-N 477.418 6.858 50 10 JKGE Fc1ccsc1[C@@H](Br)c1c(Cl)cc(Br)c(F)c1Br 2315459737 YPAXBZQKIFFLAP-VIFPVBQESA-N 481.381 6.689 50 10 JKGE N#CC(=Cc1cccc(OC(=O)CC(c2ccccc2)c2ccccc2)c1)c1cccc(Cl)c1 2320506499 KYXRCRWHOFONDB-UHFFFAOYSA-N 463.964 7.532 50 10 JKGE COc1cc(C=C(C#N)c2ccc(C(=O)OC(C)C)o2)ccc1OCc1ccc(Br)cc1 2331049780 UJNKFJVUGCQIJI-UHFFFAOYSA-N 496.357 6.259 50 10 JKGE Cc1cc(-c2csc(C(C#N)=C(O)c3ccc4c(c3)C(=O)N(CC(C)C)C4=O)n2)ccc1F 2331320391 IDEZPYVYXAPGME-UHFFFAOYSA-N 461.518 5.460 50 10 JKGE CCOc1ccc(-c2csc(C(C#N)=C(O)c3ccc4nc(C)c(C)nc4c3)n2)c(OCC)c1 2331389072 OCXJNYLFQBSQCF-UHFFFAOYSA-N 472.570 6.117 50 10 JKGE COc1ccc(Cl)cc1-c1csc(C(C#N)=C(O)c2ccc(N3CCOCC3)c([N+](=O)[O-])c2)n1 2331411029 GFRBQMIWPIJKNT-UHFFFAOYSA-N 498.948 5.167 50 10 JKGE COc1cc(C=C(C#N)c2nc(-c3ccc(Cl)s3)cs2)cc(Br)c1O 2331484002 BQOFIXONMDOYLY-UHFFFAOYSA-N 453.770 6.066 50 10 JKGE Cc1cc(Br)c([C@@H](Br)C[C@@H]2C[C@H]2C(F)(F)F)cc1Br 2331572971 IZQFNAUAUKRZMJ-VMAXQDLPSA-N 464.945 6.545 50 10 JKGE Fc1cccc(Cl)c1C[C@H](Br)c1ccc(OCc2ccccc2)cc1Br 2336082825 DPTZHWSPMDZMCZ-IBGZPJMESA-N 498.617 7.499 50 10 JKGE Cc1ccc(C[C@H](Br)c2ccc(OCc3ccccc3)cc2Br)cc1C 2336084351 SNIKMJKQYRPLHA-QFIPXVFZSA-N 474.236 7.324 50 10 JKGE CCN[C@@H](c1c(C)cc(Br)c(F)c1Br)C1CC(Br)C1 2339647622 CKCWDYZDEQVTPO-OAQUUNCKSA-N 458.007 5.483 50 10 JKGE Cc1cc(Br)c(F)c(Br)c1[C@H](Br)C12CC(C)(CO1)C2 2339684045 JRZILTXSDMSRRN-HSBZDZAISA-N 456.975 5.664 50 10 JKGE C[C@@H](Cl)c1nc2c(F)cc(Br)cc2n1[C@@H]1CN(Cc2ccccc2)C[C@H]1C 2358443635 ISUYLDRNZSOEMM-PJIJBLCYSA-N 450.783 5.931 50 10 JKGE CC1(C)C[C@@H](C[C@H](Br)c2c(Cl)cc(Br)c(F)c2Br)CO1 2362227472 FWRDHNQYYYKUSS-SFYZADRCSA-N 493.436 6.645 50 10 JKGE COc1c(Br)cc(C)c([C@H](Br)[C@]23COC[C@H](C2)C3)c1Br 2365218501 LPKOWHJCZVGFIB-LNHVQRHZSA-N 469.011 5.391 50 10 JKGE Clc1ccc([C@@H](Br)c2ccc([C@@H]3CCOC3)s2)c(I)c1 2365594848 CLVRXONWDCAVOX-RFAUZJTJSA-N 483.596 5.994 50 10 JKGE COc1ccc(Cl)cc1N=P(c1ccccc1)(c1ccccc1)c1c(C)n(C)c2ccccc12 8386792 AZKYIKNJAPRLSI-UHFFFAOYSA-N 484.967 6.958 50 10 JKGE N#C/C(=C\c1ccc(N(c2ccccc2)c2ccccc2)cc1)C(=O)Nc1cccc(C(F)(F)F)c1 12565370 FLMSZYFIHAQFLZ-RELWKKBWSA-N 483.493 7.721 50 10 JKGE O=C(NN=C(Cc1ccccc1)Cc1ccccc1)c1cccc(NC(=O)c2ccc(F)cc2)c1 20826799 XPYLMURRNXCDCY-UHFFFAOYSA-N 465.528 5.649 50 10 JKGE O=C(CSc1nc2ccccc2[nH]1)N/N=C/c1ccc(OCc2c(F)cccc2Cl)cc1 32520599 AJAWXFSIVUOXNN-RPPGKUMJSA-N 468.941 5.177 50 10 JKGE CCCCCOc1ccc(/C=N/NC(=O)CSc2nc3ccccc3s2)cc1OCC 32520711 INOQCEQWNXXSJT-BUVRLJJBSA-N 457.621 5.506 50 10 JKGE CCOC(=O)/C(C#N)=C\c1cc(Br)c(OCCOc2ccc(C)c(C)c2)c(OCC)c1 33732647 MYVLONSKZVLCHB-UNOMPAQXSA-N 488.378 5.393 50 10 JKGE CCC(=O)Nc1sc(/C(C#N)=C\c2ccc(I)cc2)nc1-c1ccccc1 34793977 MQZPDMSSAIRTSD-VBKFSLOCSA-N 485.350 5.827 50 10 JKGE N#C/C(=C/c1ccc(-c2cc(C(F)(F)F)ccc2Cl)o1)C(=O)Nc1ccccc1Br 35228797 MUPWUETUNZKCFZ-XFXZXTDPSA-N 495.682 6.927 50 10 JKGE COc1cc(/C=C(\C#N)C(=O)Nc2cc(Cl)cc(Cl)c2)ccc1OCC(=O)Nc1ccccc1 35519959 ZYBNLWJICRSIIX-RQZCQDPDSA-N 496.350 5.565 50 10 JKGE N#CC1=C(N)Oc2cc(OC(=O)Cc3cccc4ccccc34)ccc2[C@H]1c1ccc(F)cc1 38652859 PIBSWUBXUPTSHG-HHHXNRCGSA-N 450.469 5.345 50 10 JKGE COc1ccc(C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@@H]3c2ccc(Cl)c(Cl)c2)cc1 38655674 PFYHFDRKCAZZLG-JOCHJYFZSA-N 467.308 5.439 50 10 JKGE COc1ccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4oc5cc(C)c(C)cc5c4C)ccc32)cc1 38687384 BWOSEIPLWRZVOQ-AREMUKBSSA-N 480.520 5.804 50 10 JKGE Cc1c(C(=O)Nc2ccc(C(C)C)cc2)oc2c1/C(=N/NC(=O)c1ccccc1Cl)CCC2 40812640 YUAAKVDJLHAIGT-XHLNEMQHSA-N 463.965 6.088 50 10 JKGE CC(C)(c1ccccc1)c1ccc(OCC(=O)N/N=C/c2ccccc2OCc2ccccc2)cc1 40911725 GEBBCEBFXOZSNX-RUMWWMSVSA-N 478.592 6.121 50 10 JKGE Cc1cc(OCC(=O)N/N=C/c2ccc(Cl)c(Cl)c2)c(Br)c(C)c1Cl 40950690 QVUFSGYBSNWQIH-QPJQQBGISA-N 464.574 5.555 50 10 JKGE Cc1ccc(C)c(NC(=O)/C(C#N)=C\c2ccc(Sc3nc(C)cc(C)n3)c([N+](=O)[O-])c2)c1 59219898 FLTKVEXQEZHDKL-ODLFYWEKSA-N 459.531 5.315 50 10 JKGE CC[C@]1(C)[C@@H](Cl)C[C@@H]1Oc1c(Br)cc(Br)cc1Br 97646565 GLGYJASZJDJBHI-GMXVVIOVSA-N 461.419 6.149 50 10 JKGE CN(C(=O)[C@@]12CC[C@@](C(Br)Br)([C@H]1Br)C2(C)C)c1ccccc1 100869327 ZBSQGBBGQIHAIA-OAUYIBNBSA-N 494.065 5.335 50 10 JKGE COc1cc(Br)c([C@@H](Br)c2ccc(Br)o2)cc1OC 109860131 YSQCTQUYPXJYEF-CYBMUJFWSA-N 454.940 5.306 50 10 JKGE Brc1ccc([C@@H](Br)c2csc(I)c2)s1 118884124 BWVDBVHLEOOZQE-VIFPVBQESA-N 463.985 5.661 50 10 JKGE COc1cc([C@@H](Cl)c2cc(Br)c(Br)s2)cc(OC)c1OC 128285510 HRZWYXLSVNBHJP-GFCCVEGCSA-N 456.583 5.627 50 10 JKGE Cc1cc(Br)c([C@H](Cl)c2cc3c(s2)CCSC3)cc1Br 128642229 JIYPIPAURZGGTB-HNNXBMFYSA-N 452.664 6.699 50 10 JKGE COc1ccc(C[C@H](Br)c2cc(Br)c(C)cc2Br)cc1 128780680 CGGFSMGPBDGMFI-INIZCTEOSA-N 463.007 6.207 50 10 JKGE CCCOc1cccc([C@@H](Br)c2cc(Br)c(C)cc2Br)c1 128799120 NAERQSFZMHWABX-QGZVFWFLSA-N 477.034 6.793 50 10 JKGE Cc1cc(Br)c([C@H](Br)c2c(Cl)cccc2Cl)cc1Br 128820056 XWWVAPIJDGZMQS-AWEZNQCLSA-N 487.844 7.311 50 10 JKGE COc1cc([C@H](Br)c2cc(Br)ccc2Cl)c(OC)cc1Br 134296051 RAKSIPQLSWJTQT-OAHLLOKOSA-N 499.424 6.367 50 10 JKGE Cc1ccc2nc(-c3ccc(N/C=C(/C#N)C(=O)NCc4ccccc4Cl)cc3)sc2c1 216762661 AGUPTKRYWAMZBT-CYVLTUHYSA-N 458.974 6.061 50 10 JKGE Fc1ccc([C@@H](Br)c2cc(Br)c(Cl)s2)c(Br)c1 227847723 HJBZVXDSSRYCEX-SNVBAGLBSA-N 463.391 6.550 50 10 JKGE COc1ccc(C)cc1[C@@H](Br)c1cc(I)ccc1Br 234840912 IBYGJTKRJVZXMB-HNNXBMFYSA-N 495.980 5.855 50 10 JKGE COc1ccc(C[C@@H](Cl)c2cc(I)ccc2Br)cc1 234933166 GEPPZONBKNPFIW-OAHLLOKOSA-N 451.529 5.585 50 10 JKGE Cc1sc(Br)cc1[C@H](Br)c1ccc(F)cc1I 235823242 IUWIDEWKWUQTSG-GFCCVEGCSA-N 489.973 6.047 50 10 JKGE O=C(NN=Cc1c(O)ccc2ccccc12)c1cc(-c2ccc(OCCc3ccccc3)cc2)[nH]n1 254312279 SHNBYADDVGGJHU-UHFFFAOYSA-N 476.536 5.321 50 10 JKGE CCOc1cc(C=NNC(=O)c2cccc(C)c2O)ccc1OCc1cccc2ccccc12 254905593 YCRFAHSNTUGNQY-UHFFFAOYSA-N 454.526 5.595 50 10 JKGE CCCCCC[C@H](C)O[C@@](C)(CI)CN(CC)C(=O)OC(C)(C)C 303741847 QIJYFDRREACPAH-LPHOPBHVSA-N 455.421 5.813 50 10 JKGE C[C@H]1CCC[C@H](COC2(CI)CCN(C(=O)OC(C)(C)C)CC2)C1 304167345 JUPHKPPTXHALCQ-HOTGVXAUSA-N 451.389 5.034 50 10 JKGE Cc1cc(Br)c([C@H](Br)c2sccc2I)s1 307364231 KRFUAZAZWVNTNQ-QMMMGPOBSA-N 478.012 5.969 50 10 JKGE Clc1cc(Br)cc([C@H](Br)c2cc3c(cc2Br)OCC3)c1 308410457 DKQRFEGOPJMXGZ-HNNXBMFYSA-N 481.409 6.284 50 10 JKGE Cl[C@@H](c1ccc(OCc2ccccc2)cc1)c1cc(Br)sc1Br 310024963 UFLYPZKQHGJUBF-KRWDZBQOSA-N 472.629 7.180 50 10 JKGE Brc1occc1[C@@H](Br)c1cc(I)cc2c1OCC2 310818241 CNOMXIHVNIQQBG-LLVKDONJSA-N 483.925 5.066 50 10 JKGE Fc1cc2nc(CCCl)n(C[C@@H]3CCN(Cc4ccccc4)C3)c2cc1Br 312654485 LIIMSMUNHDXHHK-MRXNPFEDSA-N 450.783 5.241 50 10 JKGE CC[C@H](C)[C@@H](CO[C@@](C)(CI)c1ccccc1Br)OC 384681765 GKGUYBUDQAJCRO-MAZHCROVSA-N 455.174 5.177 50 10 JKGE CC(C)(C)OC(=O)NCCN1CCCCC[C@@H]1c1ccccc1CO[Si](C)(C)C(C)(C)C 616625260 XLJNSCFKJJNYJY-HSZRJFAPSA-N 462.751 6.650 50 10 JKGE COCc1cc(Br)c([C@H](Cl)c2cc(Cl)ccc2I)s1 688078488 IHIXLSMSKSLVRP-GFCCVEGCSA-N 492.003 6.243 50 10 JKGE Clc1cc([C@@H](Br)c2occc2Br)c(Cl)c(Cl)c1Cl 696536036 FNOVJZJWJZTQMT-SSDOTTSWSA-N 453.772 7.140 50 10 JKGE FC1(F)CCC[C@@H]1C[C@H](Br)c1cc(Br)c(Br)s1 713930859 MJRXSMODELZXRI-RQJHMYQMSA-N 452.984 6.535 50 10 JKGE Cc1sc([C@H](Br)c2ccc(I)cc2)c(C)c1Br 724913395 FVSPQTQMDVIAQK-GFCCVEGCSA-N 486.010 6.216 50 10 JKGE COc1cc(C=NNC(=O)CSCc2ccc(Cl)cc2)ccc1OCc1ccc(C(=O)O)cc1 1084047928 DMDHPNFYVAYUCZ-UHFFFAOYSA-N 498.988 5.009 50 10 JKGE O=C(NN=C(CSc1nc2ccccc2s1)c1ccccc1)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1 1084311948 DVHKQOBWQCXLPD-UHFFFAOYSA-N 493.526 5.039 50 10 JKGE O=C(Nc1ccccc1C(=O)NN=Cc1ccc(Br)cc1)c1ccc(Cl)cc1 1084638943 GXGFMVISIREAJB-UHFFFAOYSA-N 456.727 5.119 50 10 JKGE COc1ccc(C(=O)NN=C2CCCc3oc(C(=O)Nc4cc(Cl)ccc4Cl)c(C)c32)cc1 1772745723 JEKLZFSOWGNKHN-UHFFFAOYSA-N 486.355 5.626 50 10 JKGE CCCOc1ccc([C@H]2C(C#N)=C(N)Oc3c2c(C)nn3-c2cccc3ccccc23)cc1OCC 1865688619 WWDAKMXBPHIWDY-MHZLTWQESA-N 480.568 5.740 50 10 JKGE COc1ccc(OC)c([C@@H]2C(C#N)=C(N)Oc3c2c(-c2ccccc2)nn3Cc2cc(C)ccc2C)c1 1865693182 SLFVMWNYVGFTED-AREMUKBSSA-N 492.579 5.451 50 10 JKGE CC(=O)N1CCc2cc(/C(C)=N/NC(=O)c3ccc(-c4ccc(Cl)c(Cl)c4)nc3C)ccc21 1865763341 HFEJWSKELZTPAC-IPPBACCNSA-N 481.383 5.427 50 10 JKGE CCCC[C@@H](NC(=O)c1nc(CC(C)C)n2ccccc12)C(=O)Nc1ccc(SC#N)cc1 1866865235 PHPMQDLBVCXJPS-HXUWFJFHSA-N 463.607 5.033 50 10 JKGE CC(C)[C@H](C(=O)NC(C)(C)C(=O)Nc1ccc(SC#N)cc1)c1ccc(Cl)c(Cl)c1 1866989378 PZEHGCQYKDXDIW-IBGZPJMESA-N 464.418 5.840 50 10 JKGE Cc1nncn1C1CCN(c2cc(Nc3ccc(SC#N)cc3)nc(Cc3ccccc3)n2)CC1 1868208143 TWTDVJNPDXSTOP-UHFFFAOYSA-N 482.617 5.126 50 10 JKGE COc1cccc(-c2nc(Nc3ccc(SC#N)cc3)cc(N(C)CC(C)(C)c3ccccc3)n2)c1 1868505298 GJWOZBRGGWZHKR-UHFFFAOYSA-N 495.652 6.883 50 10 JKGE Cc1ccc(-c2csc(/C(C#N)=C(O)/C=C/c3ccc(OCc4ccccc4Cl)cc3)n2)c(C)c1 1872748906 SEKQZPLBXKXXSA-ZFQQLCRMSA-N 499.035 8.165 50 10 JKGE COc1c(Cl)cc(Cl)cc1-c1csc(/C(C#N)=C(\O)c2ccc(Cl)c(Cl)c2)n1 1872754545 XZHRZZMDTLGPDO-ATVHPVEESA-N 472.180 7.382 50 10 JKGE Cc1ccc(COc2ccc(/C=C(\C#N)c3nc(-c4cccc(Br)c4)cs3)cc2)cc1 1872784284 IJORLIUWKHPDAZ-LPYMAVHISA-N 487.422 7.524 50 10 JKGE COc1cc(/C=C(\C#N)c2nc(-c3ccc([N+](=O)[O-])cc3)cs2)ccc1OCCc1ccccc1 1872784325 KJSBVLHNTLDNCW-PXLXIMEGSA-N 483.549 6.413 50 10 JKGE CCOc1ccc(/C=C(\C#N)c2nc(-c3cc(C)c(Cl)cc3OC)cs2)cc1OCC 1872794409 ZRNGLWIWJOMGSZ-LICLKQGHSA-N 454.979 6.642 50 10 JKGE Cl[C@H](c1c(Br)sc(Br)c1Br)[C@H]1C[C@@H]1Br 1893054295 KVUDSHBILXDDCH-XCXIMHFFSA-N 488.264 6.099 50 10 JKGE Cc1cc([C@H](Cl)c2sc(Cl)cc2I)oc1Br 1900921045 YJQSIQZFQKEJDU-QMMMGPOBSA-N 451.938 5.998 50 10 JKGE Cc1cc(Br)c(F)c(Br)c1[C@H](Br)[C@H]1C[C@@H]1Br 1901323328 JHTIGVPCXMSGFC-ATVXKPNKSA-N 479.807 5.879 50 10 JKGE CC(C)[C@H](CBr)N(Cc1ccccc1)C(=O)c1cc(Br)ccc1F 1915297973 NIFZJNQTPUJEAM-SFHVURJKSA-N 457.181 5.650 50 10 JKGE Cc1sc(Br)cc1S(=O)(=O)N(Cc1ccccc1)C1(CBr)CCC1 1915751170 PMXIMNZXJZUEKP-UHFFFAOYSA-N 493.286 5.328 50 10 JKGE Cc1cc([C@@H](Br)c2cc3nc(O)[nH]c3cc2Br)oc1Br 1917613582 XJKIJKKVCKQVHG-NSHDSACASA-N 464.939 5.179 50 10 JKGE Clc1ccc(C[C@@H](Br)c2cc(Br)c(Br)s2)nc1 1918227830 NSZORELWPLOWII-MRVPVSSYSA-N 460.416 6.000 50 10 JKGE Cc1c(Br)sc([C@@H](Br)C[C@@H]2CCCC2(F)F)c1Br 1922920904 LNLQRCXNSKKKNI-YUMQZZPRSA-N 467.011 6.843 50 10 JKGE COc1ccc(OC)c([C@H](Br)c2sc(Br)cc2Br)c1 1922953270 BMPUOACNEIXWNU-LBPRGKRZSA-N 471.008 5.775 50 10 JKGE Fc1ccc([C@H](Cl)c2c(Br)sc(Br)c2Cl)c(Cl)c1 1923038719 KHEXPOJCFAWAFQ-QMMMGPOBSA-N 453.385 7.047 50 10 JKGE Cc1ccc([C@@H](Br)c2c(Br)sc(Br)c2Cl)cc1Cl 1923054504 GLAYOCNZJNMEKJ-SECBINFHSA-N 493.873 7.373 50 10 JKGE Clc1c(Br)sc(Br)c1[C@H](Br)[C@@H]1C[C@@H]1c1ccccc1 1923065538 DPELMOBGZWKTFV-FXPVBKGRSA-N 485.466 7.166 50 10 JKGE C[C@@H](c1ccncc1Br)[C@@H](Br)c1cccc(OCc2ccccc2)c1 1924042962 GQCNSMQAPJXMJX-YCRPNKLZSA-N 461.197 6.663 50 10 JKGE C[C@H](c1ccncc1Br)[C@@H](Cl)c1cccc(F)c1I 1924057517 VJMLNMWJCBMSFH-AMIZOPFISA-N 454.508 5.671 50 10 JKGE FC(F)(F)C(F)(F)[C@H](Cl)c1c(Br)sc(Br)c1Br 1924583880 QECFGIUZMDPEPM-GSVOUGTGSA-N 487.307 6.513 50 10 JKGE Cl[C@H](c1c(Br)sc(Br)c1Br)[C@@H]1C[C@H]2CCC[C@H]21 1924615488 BVLXVHPGYZRSBW-IBNKKVAHSA-N 463.460 6.752 50 10 JKGE FC1(F)CCOC[C@H]1[C@H](Br)c1cc(Br)sc1Br 2001816487 CONHEBUXLSJNEL-POYBYMJQSA-N 454.956 5.381 50 10 JKGE CCc1cc(Br)c([C@H](Br)c2nc(C)sc2Br)s1 2003571496 XWTVGVGNBBIVNA-MRVPVSSYSA-N 460.054 6.085 50 10 JKGE Clc1c(Br)cccc1Oc1cc(Br)ccc1CBr 2040202590 LOLYJZJWYNQFRE-UHFFFAOYSA-N 455.371 6.552 50 10 JKGE Cc1c(Cl)cc(C(=O)N(C)C[C@H](Br)COCc2ccccc2)cc1Br 2048496058 FURKKHYAGADYGY-INIZCTEOSA-N 489.635 5.463 50 10 JKGE CN(Cc1ccccc1)[C@@H]1CCCCN(c2ccc(CBr)cc2Br)C1 2050046428 KKLKPAQCTZHXHT-LJQANCHMSA-N 466.261 5.835 50 10 JKGE FC(F)(F)C1([C@@H](Br)c2cc(Br)c(Br)s2)CCCC1 2052994760 XOESFKDGQTZKKU-QMMMGPOBSA-N 470.974 6.832 50 10 JKGE CCCN[C@H](c1sc(Br)c(C)c1Br)C1CC(Br)C1 2076167265 KFXMWEFKXJCHGX-AMUVOQDHSA-N 460.073 5.796 50 10 JKGE FC(F)(F)c1ccc(Cn2nc3c(c2CBr)[C@H]2C[C@@H]2C3)c(Br)c1 2080534117 JYUYUCRNLWCPJG-KOLCDFICSA-N 450.096 5.267 50 10 JKGE Cc1sc(Br)c([C@@H](Br)c2cc(F)cc(Br)c2)c1C 2082884495 LRIRLSCHWYLQMC-LBPRGKRZSA-N 457.000 6.513 50 10 JKGE CCC(CC)[C@H](Br)CNC(=O)c1cccc(Br)c1Br 2092340937 WIJUPIGOCGVRRB-GFCCVEGCSA-N 456.016 5.141 50 10 JKGE COc1ccc(OC)c([C@H](Br)c2csc(Br)c2Br)c1 2093942035 JBDBBOVGTQFYML-NSHDSACASA-N 471.008 5.775 50 10 JKGE Cc1sc(Br)cc1[C@H](Br)c1cc2c(cc1Br)OCC2 2095697060 RSXQXLRUIQWAQR-AWEZNQCLSA-N 467.020 6.001 50 10 JKGE CC1(C)C[C@@H](CBr)CN(C(=O)c2cc(Br)c(Br)s2)C1 2115957520 JBYUTMHPPUFMEW-QMMMGPOBSA-N 474.056 5.156 50 10 JKGE Clc1c(CBr)cccc1OCc1cc(Br)ccc1Br 2118519500 KVPRABUUPZNHSJ-UHFFFAOYSA-N 469.398 6.339 50 10 JKGE COc1c(Cl)cc(Br)cc1[C@@H](Br)c1scc(Cl)c1Cl 2138255224 KEVYWOOBNOPQHD-SECBINFHSA-N 465.421 6.964 50 10 JKGE CCc1nn(CC)c(CC(CBr)(CBr)C2CCC2)c1Br 2145929713 WIYRWOCSRKOXHV-UHFFFAOYSA-N 471.075 5.347 50 10 JKGE C[C@H]1Cc2cc([C@H](Br)c3cc(Cl)c(Cl)s3)cc(Br)c2O1 2156056299 XBBODZAWCMYMBZ-QTTZVWFDSA-N 457.014 6.625 50 10 JKGE Cc1cc(Br)c([C@H](Br)c2ccccc2C2CC2)cc1Br 2160379731 VQJGCKRGRUNTJS-QGZVFWFLSA-N 459.019 6.882 50 10 JKGE CCc1nc([C@H](Br)c2c(C)cc(C)c(Br)c2C)c(Br)s1 2169488880 WOXATIFGCYVMQO-CYBMUJFWSA-N 482.079 6.640 50 10 JKGE CC[C@@H](Cl)[C@H]1CCCCN1C(=O)c1ccc(I)c(Br)c1 2170598980 BQPLGYHHIRLSBN-TZMCWYRMSA-N 470.576 5.066 50 10 JKGE Cc1c(Br)sc([C@H](Cl)C2(C(F)(F)F)CCOCC2)c1Br 2173207700 BWGSAJOHUVYQSC-VIFPVBQESA-N 456.549 6.221 50 10 JKGE COc1cc(C)c([C@H](Cl)c2cc(I)ccc2F)cc1Br 2198728640 ZVVQJWOAEAQNHU-HNNXBMFYSA-N 469.519 5.838 50 10 JKGE Cc1cc(Br)c(C)c([C@@H](Br)C2(C)C(C)(C)C2(C)C)c1Br 2201065205 OFKQNACWRDORCL-CQSZACIVSA-N 467.083 7.337 50 10 JKGE Fc1cc(Br)c([C@H](Cl)c2cc(Cl)cc(Br)c2)c(F)c1Cl 2201609869 BKUHRDWKSGPFLO-LLVKDONJSA-N 465.346 7.125 50 10 JKGE Cc1cc(Cl)c(Br)cc1[C@H](Br)c1ccsc1S(C)(=O)=O 2202366695 UPRDNKRQCHYWQQ-GFCCVEGCSA-N 458.624 5.360 50 10 JKGE FC1(F)C[C@]12CCC[C@@H]([C@@H](Br)c1ccc(Br)cc1Br)C2 2203690696 FGPTXLSIESOQQA-OWYVNGRQSA-N 472.993 6.863 50 10 JKGE C[C@H]1COc2ccc([C@H](Cl)c3ccc(Br)cc3I)cc21 2207260928 RZVITCZESRGTCO-FVMDXXJSSA-N 463.540 5.878 50 10 JKGE Clc1cc(CN2C[C@H](Br)C3(CCCCC3)C2)ccc1I 2208030389 RTOVHMYWADYXOQ-HNNXBMFYSA-N 468.604 5.474 50 10 JKGE Cc1csc([C@@H](Br)c2cc(Br)c(Br)cc2F)c1C 2218820262 MBDKSEIPKYQUGR-LBPRGKRZSA-N 457.000 6.513 50 10 JKGE Cc1ccc([C@@H](Br)Cc2ccc(Br)cc2Cl)c(Br)c1 2229152209 PQVYCIXYJHVBQD-AWEZNQCLSA-N 467.426 6.852 50 10 JKGE O=C(Nc1ccccc1CCl)c1ccc(Br)cc1I 2230681402 QCUQJFGWLYMISJ-UHFFFAOYSA-N 450.501 5.045 50 10 JKGE Fc1cc(Br)cc2c1nc(CCl)n2-c1cccc(I)c1 2232923370 MNNGQPUIHKKYQL-UHFFFAOYSA-N 465.491 5.271 50 10 JKGE Cc1sc([C@@H](Br)c2cc(Br)c3c(c2)C[C@@H](C)O3)cc1Br 2234479290 FLRSNFFJRXRLKV-UOWDBTKRSA-N 481.047 6.389 50 10 JKGE Cc1cc(Br)c([C@H](Br)[C@H]2C[C@]23CCCOC3)c(C)c1Br 2235612520 PIQWNEPTGPCATQ-LYRGGWFBSA-N 467.039 6.081 50 10 JKGE COc1cc(Br)c([C@H](Cl)c2ccc(Br)cc2Br)cc1C 2236007623 GAFGGSRWWGFGBX-OAHLLOKOSA-N 483.425 6.619 50 10 JKGE Fc1cc(Br)c(Cl)cc1[C@H](Br)Cc1cc(Cl)cc(Cl)c1 2240909073 HZQFJAHXDIIWMJ-LLVKDONJSA-N 461.383 7.227 50 10 JKGE Clc1ccc(I)c(CN2C[C@H](Br)CC23CCCCC3)c1 2241036096 HJZKDHNKANBYEU-CYBMUJFWSA-N 468.604 5.617 50 10 JKGE CC(C)(C)OC(=O)N1CCC[C@@](CBr)(OCc2cc(Br)ccc2Cl)C1 2263389895 VGIUBGPJYZTPRD-SFHVURJKSA-N 497.655 5.784 50 10 JKGE Cc1cc(F)c(Br)cc1[C@H](Br)c1sc(C)c(Br)c1C 2270456111 AICFYGNSEBVAJK-ZDUSSCGKSA-N 471.027 6.822 50 10 JKGE Cc1ccc(Br)c([C@H](Br)c2c(Br)cc(C)c(F)c2C)c1 2279159888 WVQVKFSESCAFSC-HNNXBMFYSA-N 464.998 6.760 50 10 JKGE Oc1nc2ccc([C@@H](Br)c3ccc(Cl)c(I)c3)cc2[nH]1 2283587642 WZIDZXCEFGSHRC-ZDUSSCGKSA-N 463.500 5.011 50 10 JKGE C=CC[C@]1(CBr)CCCN(C(=O)c2cc(Br)c(Br)s2)C1 2287763023 DNGYQLPMRCXZSD-CQSZACIVSA-N 486.067 5.467 50 10 JKGE CCOc1cc(C=C(C#N)C(=O)Nc2cccc(C)c2)ccc1OCCOc1cccc(OC)c1 2293299517 MKBJVSHHJRRSSQ-UHFFFAOYSA-N 472.541 5.406 50 10 JKGE CCOc1cc(C=C(C#N)c2nc3ccc(OC)cc3[nH]2)cc(I)c1OCC 2294284744 QIPSEXFUJDSGGX-UHFFFAOYSA-N 489.313 5.038 50 10 JKGE N#CC(=Cc1cn(Cc2ccc(Br)cc2)c2ccccc12)C(=O)NCc1ccco1 2294510993 MXUVZBCOZDJCLM-UHFFFAOYSA-N 460.331 5.268 50 10 JKGE COc1cccc([C@H](Br)Cc2cc(Br)cc(Br)c2)c1F 2295340349 VPRFEJGGIKWIMC-CYBMUJFWSA-N 466.970 6.038 50 10 JKGE CCCOc1ccc(-c2nn(-c3ccccc3)cc2C=C(C#N)C(=O)NCc2ccco2)cc1 2296537446 NEGIFDBQOKPUTA-UHFFFAOYSA-N 452.514 5.144 50 10 JKGE CCCOc1ccc(-c2nn(-c3ccccc3)cc2C=C(C#N)c2nc3ccccc3n2C)cc1Cl 2296545317 GMIYLBNUHRIZDS-UHFFFAOYSA-N 493.998 6.932 50 10 JKGE Cc1ccc(N2C(=O)[C@H](Cc3ccccc3Cl)SC2=C(C#N)C(=O)Nc2ccc(F)cc2)cc1 2296643188 NMDMTJDDMPTDPX-QHCPKHFHSA-N 491.975 5.853 50 10 JKGE C=CCOc1ccccc1C=C(C#N)C(=O)Nc1ncc(Cc2cccc(C(F)(F)F)c2)s1 2296819166 IVEXLWXWCUBJIE-UHFFFAOYSA-N 469.488 5.863 50 10 JKGE Cc1ccc(C[C@@H]2SC(=C(C#N)C(=O)Nc3ccc(C)cc3)N(c3ccc(C)cc3)C2=O)cc1 2296834930 CSDBICFFYGAKAI-VWLOTQADSA-N 467.594 5.677 50 10 JKGE CCN(C[C@@](C)(CI)OC[C@@H]1C[C@H]1C1CCCC1)C(=O)OC(C)(C)C 2311633601 PEYJQZQLQHJYKF-ABSDTBQOSA-N 465.416 5.280 50 10 JKGE Brc1ccc(OCc2ccccc2)c([C@@H](Br)[C@@H]2COC3(CCC3)C2)c1 2314447010 YIXNRDMPKMDUNS-JXFKEZNVSA-N 466.213 6.423 50 10 JKGE CC1(C)C[C@H](C[C@@H](Br)c2cc(Br)ccc2OCc2ccccc2)CO1 2314451111 BXIAIZWXQFRQKV-QFBILLFUSA-N 468.229 6.669 50 10 JKGE CC[C@H](CC(F)(F)F)[C@H](Br)c1ccc(OCc2ccccc2)cc1Br 2314502837 MKMHNCQFVDVZCQ-KDOFPFPSSA-N 480.162 7.443 50 10 JKGE COc1ccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)C=Cc4ccc(Cl)cc4)ccc32)cc1 2314634304 ZTBJQPDSVTZNCF-VWLOTQADSA-N 458.901 5.186 50 10 JKGE Cc1ccc2nc(-c3ccc(NC=C(C#N)C(=O)N4CCN(c5ccc(F)cc5)CC4)cc3)sc2c1 2318462669 NGPHKTVSSGFUOL-UHFFFAOYSA-N 497.599 5.579 50 10 JKGE COCc1ccc([C@@H](Cl)c2c(Br)sc(Br)c2Br)s1 2319402643 CNSRIIWJEXTGOI-SECBINFHSA-N 495.483 6.572 50 10 JKGE CCOc1cc(C(=O)Oc2cccc(C=C(C#N)c3ccc(OC)cc3)c2)cc(OCC)c1OCC 2320511170 MKNSICUQIWPJEN-UHFFFAOYSA-N 487.552 6.175 50 10 JKGE CC1CCC(CBr)(Cc2ccc(I)c(Br)c2)CC1 2325220026 DHSDDDRSZNXKOV-UHFFFAOYSA-N 486.029 6.188 50 10 JKGE COc1cccc(C=CC(=O)NCc2ccc(OC(=O)Nc3ccc(SC#N)cc3)cc2)c1 2329336434 FLNVMFLHUBWJRF-UHFFFAOYSA-N 459.527 5.209 50 10 JKGE COc1cc(C=C(C#N)c2nc(-c3c(C)c(C)cc(C)c3C)cs2)cc(Br)c1O 2331467093 DWXYWRQWHPGPGS-UHFFFAOYSA-N 469.404 6.585 50 10 JKGE COc1ccc([C@@H](Cl)c2cc(Br)ccc2OCc2ccccc2)c(Br)c1 2336081710 UNGCGCWSOVFBEI-OAQYLSRUSA-N 496.626 7.127 50 10 JKGE C[C@@H]1CCC[C@@](CBr)(OCc2cc(Br)cc(Br)c2)C1 2337096807 IUSJXMGJIJDVAI-IAQYHMDHSA-N 455.028 6.072 50 10 JKGE COc1cc(CBr)cc(Oc2cc(Br)cc(Br)c2)n1 2339268276 MAUUNLNBRHDXMS-UHFFFAOYSA-N 451.940 5.302 50 10 JKGE C[C@H](c1ccncc1F)[C@H](Br)c1ccc(Br)cc1Br 2344692862 PLKIHWDPKGVZHI-CLAHSXSESA-N 451.959 5.985 50 10 JKGE CC1(C)CC(CBr)(COCc2ccc(Cl)cc2I)C1 2344979878 GZXPAVQSYKABNY-UHFFFAOYSA-N 457.577 5.663 50 10 JKGE Fc1ccc(OCc2cc(I)ccc2Cl)c(CBr)c1 2352350928 PYIXOIHPPVNTSA-UHFFFAOYSA-N 455.492 5.558 50 10 JKGE C[C@@H](CBr)[C@@H]1CCCCN1Cc1cc(I)ccc1Cl 2352424570 VOFSZBXHAMZPRL-NHYWBVRUSA-N 456.593 5.330 50 10 JKGE CC(C)(C)c1ccc([C@@H](Br)c2cc(Br)ccc2OCc2ccccc2)cc1 2361210144 QZWXYTCSOPFMNZ-HSZRJFAPSA-N 488.263 7.810 50 10 JKGE Clc1ccc(C[C@@H]2CCCCCCCC[C@H]2Br)cc1I 2362435708 JBIDTRUOMZAUMN-LSDHHAIUSA-N 469.632 7.001 50 10 JKGE Cc1cc(Br)c(F)c(Br)c1[C@@H](Br)[C@@H]1Cc2ccccc21 2365182104 YTLWAFBWMSHHSO-RISCZKNCSA-N 462.982 6.435 50 10 JKGE Cc1cc(Br)c(F)c(Br)c1[C@@H](Br)c1cccc(Cl)c1F 2365215866 OEFGKAJYLFOCJJ-NSHDSACASA-N 489.379 6.936 50 10 JKGE COc1ccc(NC(=O)/C(C#N)=C\c2c(Oc3ccccc3Cl)nc3c(C)cccn3c2=O)cc1 3644188 OUQURTPBAHPYGJ-VKAVYKQESA-N 486.915 5.003 50 10 JKGE Cc1cc([C@@H]2C(C#N)=C(N)N(c3ccc(Br)cc3C)C3=C2C(=O)CC(C)(C)C3)c(C)s1 9981492 MFJSNEJGNXYLQW-JOCHJYFZSA-N 496.474 6.377 50 10 JKGE O=C(CNc1ccc2ccccc2c1)N/N=C/c1ccccc1OCc1ccc(Br)cc1 12360508 OTWOZXCUNQGVBM-MUFRIFMGSA-N 488.385 5.744 50 10 JKGE C[S@@](=O)(=N/C=C(/C#N)C(=O)c1ccc(Cl)cc1)c1ccc(OC(=O)c2ccc(Cl)cc2)cc1 12367218 YNUHYJGSHKMVJQ-OLPAMYJVSA-N 499.375 5.960 50 10 JKGE COc1cc(/C=C(/C#N)c2cccc(Cl)c2)ccc1OC(=O)c1ccc(Cl)c(Cl)c1 31902353 SBPVESBPFJHHCD-MFOYZWKCSA-N 458.728 6.939 50 10 JKGE Cc1cccn2c(=O)c(/C=C(/C#N)c3nc4ccccc4n3C)c(Oc3ccc(Cl)cc3)nc12 33249092 YTWCYDFHTBQWPK-VKAVYKQESA-N 467.916 5.400 50 10 JKGE N#C/C(=C/c1ccc(-c2ccc(F)cc2)o1)C(=O)Nc1ncc(Cc2ccccc2Cl)s1 33339793 ODKBEXHOINTLJS-BOPFTXTBSA-N 463.921 6.332 50 10 JKGE C[C@@H]1Oc2ccccc2C=C1/C=C(/C#N)c1nc(-c2ccccc2)c(NC(=O)c2cccs2)s1 34982873 LUOSCJMMDVJFNG-SZHLLGMXSA-N 481.602 6.895 50 10 JKGE CCCCOc1ccccc1C(=O)Oc1ccc2c(c1)OC(N)=C(C#N)[C@@H]2c1ccccc1OCCC 38681844 RMENNXCPRSANCE-MUUNZHRXSA-N 498.579 6.092 50 10 JKGE Cc1c(C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@H]3c2cccc(Cl)c2)oc2ccc(Cl)cc12 38687706 XOXIPFUUFVYCFB-QHCPKHFHSA-N 491.330 6.485 50 10 JKGE Cc1c(C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@@H]3c2ccc(Cl)cc2)oc2ccc(F)cc12 38687798 NSOFLPGMHRYRSZ-HSZRJFAPSA-N 474.875 5.971 50 10 JKGE Cc1c(C(=O)Nc2cc(Cl)cc(Cl)c2)oc2c1/C(=N/NC(=O)c1ccccc1)CCC2 40804071 QBNCFPJIUKSLGT-OVVQPSECSA-N 456.329 5.618 50 10 JKGE Cc1c(C(=O)Nc2ccccc2F)oc2c1/C(=N/NC(=O)c1ccc(Cl)c([N+](=O)[O-])c1)CCC2 40813415 QWPZBNFHFXPWFM-WPWMEQJKSA-N 484.871 5.011 50 10 JKGE CCOc1cc(Br)c(/C=C(/C#N)C(=O)Nc2ccc(Cl)c(Cl)c2)cc1OCC 59117521 MDADUHAORBVWLY-QPEQYQDCSA-N 484.177 6.099 50 10 JKGE N#C/C(=C/c1cn(Cc2cccc(C(F)(F)F)c2)c2ccccc12)C(=O)Nc1ccc([N+](=O)[O-])cc1 98063432 DBMRCMBGFXFXHY-AQTBWJFISA-N 490.441 6.162 50 10 JKGE N#C/C(=C(/O)[C@@H]1CCC(=O)N1C(=O)c1ccc(Cl)cc1)c1nc2cc(C(F)(F)F)ccc2s1 101017920 VFXFIAALJVKTHL-UYPHOHSBSA-N 491.878 5.593 50 10 JKGE COc1cc(N/C=C(/C#N)c2nc(-c3ccc(CC(C)C)cc3)cs2)c(C(C)=O)cc1OC 102421821 VASAKISLVSVWGT-ZHZULCJRSA-N 461.587 6.205 50 10 JKGE Brc1ccc(Br)c([C@H](Br)[C@H]2CCOc3ccccc32)c1 111187716 XDSZNBCPUUXSOZ-BLLLJJGKSA-N 460.991 6.214 50 10 JKGE CC[C@@H](Cl)C(=O)O[C@H]1CC[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 118920965 AYVNXDFYJLGZKZ-DTAPLWTESA-N 491.200 8.957 50 10 JKGE Cc1cc(Br)c([C@H](Cl)c2ccc(Br)c(F)c2)cc1Br 128678962 AMVHBDPXSVAVIU-CQSZACIVSA-N 471.389 6.750 50 10 JKGE COc1ccc(Br)c(COc2ccc(Br)c(CBr)c2)c1 129046353 VYQHKGIDCXWYNO-UHFFFAOYSA-N 464.979 5.694 50 10 JKGE CCc1nn(CC)c(CC(CBr)(CBr)C2CCCC2)c1Br 160150453 VFKFVQAGRUZSPN-UHFFFAOYSA-N 485.102 5.737 50 10 JKGE Cl[C@@H](c1cc(Br)ccc1Br)c1cc2c(cc1Br)OCCO2 161070642 POKGXCFQKSASJX-HNNXBMFYSA-N 497.408 6.074 50 10 JKGE CCCOc1ccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)/C=C\c4ccc(C)cc4)ccc32)cc1 205642380 RADLIJKDAQEWDX-LFZXTJFISA-N 466.537 5.621 50 10 JKGE CSc1ccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)/C=C\c4ccc(C(C)(C)C)cc4)ccc32)cc1 205655471 IFOYSLOZVVQVJS-UROWEKJLSA-N 496.632 6.543 50 10 JKGE COc1c(C)cc([C@@H](Br)c2cc(Br)c(Br)s2)cc1C 214882557 YFQPRDUMRGYKLN-GFCCVEGCSA-N 469.036 6.383 50 10 JKGE N#C/C(=C/Nc1ccc(Cl)c(C(F)(F)F)c1)C(=O)Nc1ccc(Cl)c(C(F)(F)F)c1 217249562 CUWUUGMWNXLCSA-HJWRWDBZSA-N 468.184 6.489 50 10 JKGE N#C/C(=C/Nc1ccc(Cl)cc1C(F)(F)F)C(=O)Nc1ccc(Cl)c(C(F)(F)F)c1 217250461 HWDFXIVFVRFSQD-HJWRWDBZSA-N 468.184 6.489 50 10 JKGE COc1cc(C)c(Br)cc1[C@@H](Br)c1cccc(Br)c1Cl 228453535 UUKADKUVZYBUGT-AWEZNQCLSA-N 483.425 6.666 50 10 JKGE COCCOc1ccc([C@H](Br)c2ccccc2Br)cc1Br 229016664 JFXMXTQTCBWBTO-INIZCTEOSA-N 479.006 5.721 50 10 JKGE CC(=NNC(=O)[C@H](C)Oc1ccc(Cl)cc1C)c1cccc(NC(=O)C2CCCCC2)c1 252615123 JPELOIFKEVNONL-SFHVURJKSA-N 455.986 5.475 50 10 JKGE C=CCn1c(CNc2ccc(Cl)cc2)nnc1S[C@@H](C)C(=O)NN=C(C)c1ccc(C)cc1 253562746 DQJJWAKKIQNSKH-SFHVURJKSA-N 483.041 5.059 50 10 JKGE CC[C@H](C)c1ccc(OCCn2c(C)c(C=NNC(=O)c3ccncc3)c3ccccc32)cc1 254398458 OXZPLDXHMDUFFM-FQEVSTJZSA-N 454.574 5.701 50 10 JKGE CC(=NNC(=O)c1ccccc1N(Cc1ccccc1)S(=O)(=O)c1ccc(C)cc1)c1ccccc1 254478437 FYTAOPCGYAXBFN-UHFFFAOYSA-N 497.620 5.545 50 10 JKGE CC(=NNC(=O)CSc1nc2ccccc2s1)c1cccc(NC(=O)c2csc(C)c2)c1 254517646 LWTFOYBWKAXUEX-UHFFFAOYSA-N 480.640 5.551 50 10 JKGE Cc1sc(-n2c(C)cc(C=NNC(=O)C(O)(c3ccccc3)c3ccccc3)c2C)c(C#N)c1C 254874310 UGPJTQVTDRVDCR-UHFFFAOYSA-N 482.609 5.030 50 10 JKGE Cl[C@H](c1cc(Br)sc1Br)c1sccc1I 307236482 GCFJOQBMZZVSBR-SSDOTTSWSA-N 498.430 6.267 50 10 JKGE C[C@@H]1CN(Cc2ccccc2)CCCN1c1ccc(Br)cc1CBr 382664135 VQTYACMYLMDWCD-MRXNPFEDSA-N 452.234 5.445 50 10 JKGE Cl[C@H](c1sccc1I)c1ccc(Br)c2ccccc12 388323436 JLVKNGZWBGJZED-AWEZNQCLSA-N 463.565 6.597 50 10 JKGE C[C@@H](CN(C)Cc1ccccc1)n1c(CCCl)nc2cc(I)c(F)cc21 388516466 KYOCXVOTVVDMHU-AWEZNQCLSA-N 485.772 5.254 50 10 JKGE ClC[C@@H](Cc1cccc(Br)c1)Cc1cc(Cl)ccc1I 405545171 VTLWSBLELPYDJX-LBPRGKRZSA-N 484.002 6.347 50 10 JKGE Cc1cccc(C)c1-n1c(C)cc(C=NNC(=O)CSCc2cccc(Br)c2)c1C 725393025 SEJPVWKEPYDQBH-UHFFFAOYSA-N 484.463 5.857 50 10 JKGE CCOc1ccc([C@H](O)CCC(=O)NN=Cc2cc(C)n(-c3ccc(-c4ccccc4)cc3)c2C)cc1 725413851 BUVZIGZIZHIRDS-SSEXGKCCSA-N 495.623 6.124 50 10 JKGE N#C/C(=C\c1ccccc1OCc1cccc([N+](=O)[O-])c1)C(=O)Nc1cccc(Cl)c1Cl 1083990367 DUEXHUTWORBUOV-SFQUDFHCSA-N 468.296 6.026 50 10 JKGE COc1ccc(/C=C(\C#N)C(=O)Nc2cccc(Cl)c2Cl)cc1I 1084034282 BYMINQFSCMWACE-YRNVUSSQSA-N 473.097 5.152 50 10 JKGE Cc1cc(C=NNC(=O)[C@@H](C)Sc2ccc(Cl)cc2)c(C)n1-c1cc(Cl)cc(Cl)c1 1084055608 DRLWFNOFXODJAO-OAHLLOKOSA-N 480.848 6.685 50 10 JKGE C=CCc1cc(/C=C(\C#N)C(=O)N(C)C)cc(OCC)c1OCc1ccc(Cl)c(Cl)c1 1084561986 NVWTZWYMUMQXEQ-YBFXNURJSA-N 459.373 5.695 50 10 JKGE CCOc1ccc(/C=C(\C#N)C(=O)Nc2cccc(Cl)c2Cl)cc1I 1084576183 GGPCKPGBLSNRBU-XYOKQWHBSA-N 487.124 5.542 50 10 JKGE COc1cc(C=NNC(=O)COc2c(C)cc(Br)cc2C)ccc1OCc1ccccc1 1772753301 OTBDYCRSYSYZIW-UHFFFAOYSA-N 497.389 5.183 50 10 JKGE CCCc1nn(-c2ccc(Cl)c(Cl)c2)c2c1[C@@H](c1c(F)cccc1Cl)C(C#N)=C(N)O2 1865682784 XPVBAFKDXMRVBP-GOSISDBHSA-N 477.754 6.142 50 10 JKGE CC(C)c1ccc([C@@H]2C(C#N)=C(N)Oc3c2c(C(F)(F)F)nn3Cc2ccc(F)cc2)cc1 1865684898 BHRWMBKAUZZNKE-LJQANCHMSA-N 456.443 5.431 50 10 JKGE COc1ccc(-c2nn(-c3cccc(Cl)c3)c3c2[C@@H](c2ccc(F)cc2F)C(C#N)=C(N)O3)cc1 1865701937 IUBZLLQWDNXEMK-QFIPXVFZSA-N 490.897 5.698 50 10 JKGE N#CC1=C(N)Oc2c(c(-c3ccccc3)nn2-c2ccc(Cl)cc2)[C@@H]1c1ccccc1C(=O)O 1865704571 YXAWKJTWBSGBIY-OAQYLSRUSA-N 468.900 5.109 50 10 JKGE CCCc1nn(Cc2ccccc2Cl)c2c1[C@@H](c1ccccc1OC(C)C)C(C#N)=C(N)O2 1865704747 CXURGPNTOIRXTR-QHCPKHFHSA-N 462.981 5.543 50 10 JKGE CCCc1nn(Cc2ccccc2Cl)c2c1[C@H](c1cc(Cl)c(O)c(OC)c1)C(C#N)=C(N)O2 1865707525 YQCRHJIXUKWRFS-HXUWFJFHSA-N 485.371 5.123 50 10 JKGE Cc1nc(-c2ccc(Cl)cc2Cl)ccc1C(=O)NNC(=O)/C=C/c1ccc(Cl)cc1Cl 1865759519 FDNRYNZCORXQDV-YCRREMRBSA-N 495.193 6.145 50 10 JKGE CC(C)c1nc(Nc2ccc(SC#N)cc2)cc(N2C[C@H](C)N(c3ccccc3)[C@@H](C)C2)n1 1868231957 YHHAABISKYSJTG-PMACEKPBSA-N 458.635 6.020 50 10 JKGE N#CSc1ccc(Nc2cc(N3CC[C@H](c4ccco4)C3)nc(-c3ccc(Cl)cc3)n2)cc1 1868433359 JLNFWIDTPHOSAG-SFHVURJKSA-N 473.989 6.701 50 10 JKGE COC(=O)c1ccc(Oc2coc3cc(OCc4cccc(CCl)c4)ccc3c2=O)cc1 1871437024 GHAPCOWWWIIOQD-UHFFFAOYSA-N 450.874 5.690 50 10 JKGE Cc1c([N+](=O)[O-])cc(/C(O)=C(\C#N)c2nc(-c3ccc(Br)cc3)cs2)cc1[N+](=O)[O-] 1872746731 VJEYVYNFBRVLGD-JXAWBTAJSA-N 487.291 5.647 50 10 JKGE COc1ccc(C(C)(C)C)cc1-c1csc(/C(C#N)=C(\O)c2ccc(N(C)C)c([N+](=O)[O-])c2)n1 1872751364 DNQLGYYPEBCTQP-NKFKGCMQSA-N 478.574 6.040 50 10 JKGE N#C/C(=C(/O)c1ccc2c(c1)C(=O)N(Cc1ccccc1)C2=O)c1nc(-c2ccc(F)c(F)c2)cs1 1872751789 TVIBELAOWTYIHD-GFMRDNFCSA-N 499.498 5.834 50 10 JKGE COc1cc(Cl)c(C)cc1-c1csc(/C(C#N)=C(\O)Cc2cc(Cl)ccc2Cl)n1 1872755389 LBZONHZYPUEFAQ-CYVLTUHYSA-N 465.789 7.123 50 10 JKGE COc1c(Cl)cc(-c2csc(/C(C#N)=C(\O)c3ccc(F)c(F)c3F)n2)cc1Cl 1872755961 NTEUKWGDSRADRU-YVLHZVERSA-N 457.260 6.493 50 10 JKGE COc1cc(-c2csc(/C(C#N)=C(\O)c3ccc(C(C)(C)C)cc3)n2)c(OC)cc1Cl 1872756578 QJGDCAUWIWUKLY-XLNRJJMWSA-N 454.979 6.728 50 10 JKGE COc1cc(/C=C(\C#N)c2nc(-c3ccc(C)c(C)c3)cs2)ccc1OCCN1CCOCC1 1872793665 MFEQLGOCILOIQA-HZHRSRAPSA-N 475.614 5.211 50 10 JKGE COc1cccc(/C=C(\C#N)c2nc(-c3ccc(Cl)s3)cs2)c1OCc1cccc(C)c1 1872794741 UDXQLQFSGAAWKM-XDHOZWIPSA-N 479.026 7.485 50 10 JKGE CC[C@H](C)[C@H](NC(=O)OC(C)(C)C)C(=O)N/N=C/c1ccccc1OCc1ccccc1Cl 1873794727 XKSVCXHZUFJBBV-HUQXMHCUSA-N 474.001 5.309 50 10 JKGE Cc1ccsc1[C@H](Br)c1cc(Br)ccc1OCc1ccccc1 1899858837 IKMZKRQTJICSNK-GOSISDBHSA-N 452.211 6.882 50 10 JKGE C[C@H](CBr)N(Cc1ccccc1)C(=O)c1ccc2cc(Br)ccc2c1 1914229490 SGKGBKLUHBCFQH-OAHLLOKOSA-N 461.197 6.028 50 10 JKGE Clc1ccc(C[C@H](Br)c2csc(Br)c2Br)nc1 1918225230 QTBNNQJDIWTYBO-VIFPVBQESA-N 460.416 6.000 50 10 JKGE O=C(c1c(Br)cccc1Br)N1[C@H]2CCC[C@H]1CC(Br)C2 1922796525 BAKXAODSWGNPIL-QWRGUYRKSA-N 466.011 5.132 50 10 JKGE Cc1cc(C)c([C@@H](Br)c2c(Br)sc(Br)c2Cl)c(C)c1 1923067747 HVUOSCRPGBQSIB-LLVKDONJSA-N 487.482 7.336 50 10 JKGE CC1(C)[C@@H]2CC([C@@H](Br)c3c(Br)sc(Br)c3Cl)C[C@H]21 1923068618 UNXBZUZVSACWIE-ZXFLCMHBSA-N 477.487 7.045 50 10 JKGE Cc1cc(Br)c(F)c([C@H](Br)[C@H](C)c2ccncc2Br)c1 1924054988 CTKXYBAOZQDBRT-YMTOWFKASA-N 465.986 6.294 50 10 JKGE C[C@@H]1COCC[C@H]1[C@@H](Cl)c1c(Br)sc(Br)c1Br 1924582738 AABQPAPXDROWOG-HCVRKRLWSA-N 467.448 5.988 50 10 JKGE COC1(C[C@@H](Cl)c2c(Br)sc(Br)c2Br)CC1 1924617169 YNSGYHJWEBSOCZ-RXMQYKEDSA-N 453.421 5.885 50 10 JKGE Clc1cc(Br)ccc1[C@H](Cl)c1c(Cl)sc(Br)c1Cl 1925590415 XTIBYXXKTFIIPC-QMMMGPOBSA-N 469.840 7.562 50 10 JKGE Brc1csc([C@@H]2CCC[C@H](CI)O2)c1Br 1930750008 RSDGYFXAHBYPSZ-SVRRBLITSA-N 465.976 5.318 50 10 JKGE Clc1cc(Br)c([C@H](Cl)c2cccc(Br)c2Br)s1 1948825558 IORHTWHSYXXGDR-SNVBAGLBSA-N 479.846 7.017 50 10 JKGE C[C@H]1C[C@H](N(C)c2ccc(Br)cc2CBr)CN1Cc1ccccc1 1949203134 AIFVZBARUVTACN-KXBFYZLASA-N 452.234 5.443 50 10 JKGE Cc1ccc(Br)c(C(=O)N(Cc2ccccc2)[C@H](CBr)C(C)C)n1 2003267319 NDVLUURPBDYVPH-QGZVFWFLSA-N 454.206 5.214 50 10 JKGE Cc1nc([C@H](Br)c2sc(C)c(Br)c2C)c(Br)s1 2003571825 ZGGJEJAYEGVBMN-QMMMGPOBSA-N 460.054 6.139 50 10 JKGE N#CC(=C(Cl)c1cc(Br)ccc1I)c1ccsc1 2035107852 JEFMZZUAWAEPJJ-UHFFFAOYSA-N 450.526 5.746 50 10 JKGE N#CC(=Cc1cccc(C(F)(F)F)c1)c1nc(-c2ccc(-c3ccc(Cl)cc3Cl)o2)cs1 2040751056 BSRZXTFZUVYYHS-UHFFFAOYSA-N 491.321 8.460 50 10 JKGE Cc1cc(Br)c(CBr)c(N(C)C[C@H]2CCN(Cc3ccccc3)C2)c1 2053204582 ZQOIRMBVRKIPBU-GOSISDBHSA-N 466.261 5.611 50 10 JKGE CCCCCc1ccc([C@H](Br)c2csc(I)c2)s1 2076628050 MOHXYLIMGDASTJ-CQSZACIVSA-N 455.224 6.631 50 10 JKGE Fc1ccc(C(F)(F)F)c(Cn2nc(CCl)c(I)c2C(F)(F)F)c1 2079209938 DVZPFBKBJZIKTK-UHFFFAOYSA-N 486.556 5.452 50 10 JKGE Fc1ccc(Cn2nc(CCl)c(I)c2C(F)(F)F)c(C(F)(F)F)c1 2079210539 UEWGPPBMMLFUFO-UHFFFAOYSA-N 486.556 5.452 50 10 JKGE Cc1cc([C@H](Br)c2ccc(Cl)cc2Cl)ccc1I 2086038871 DUGXZXPKAKAPOP-AWEZNQCLSA-N 455.948 6.391 50 10 JKGE C[C@H](c1ccncc1)[C@H](Br)c1ccc(Br)cc1I 2086149269 LSIZNTDLGXEALE-OTYXRUKQSA-N 480.969 5.688 50 10 JKGE COc1ccc(Cl)cc1[C@@H](Br)Cc1ccccc1I 2087564928 XGTVDRMDMATCJU-ZDUSSCGKSA-N 451.529 5.632 50 10 JKGE FC1(F)CCN(Cc2ccc(Br)cc2Br)CC[C@H]1Br 2093611156 QPBNCKNIDRUREU-GFCCVEGCSA-N 461.970 5.206 50 10 JKGE CCc1nn(-c2ccc(Cl)cc2CBr)c(CC)c1I 2093919159 WKDBTGCEQOROCJ-UHFFFAOYSA-N 453.549 5.150 50 10 JKGE CCc1nn(-c2cc(Br)ccc2CBr)c(CC)c1I 2093920173 ZHERGSNSFXOHRV-UHFFFAOYSA-N 498.000 5.259 50 10 JKGE COc1ccc(F)cc1[C@@H](Br)c1c(Br)cccc1Br 2094091235 QQQNQWAYXIQFMK-CQSZACIVSA-N 452.943 5.844 50 10 JKGE BrC[C@@]1(Cc2c(Br)cccc2Br)CCO[C@@H]1C1CC1 2094095337 LDYCVDLVQDAWOX-CABCVRRESA-N 453.012 5.334 50 10 JKGE CN(Cc1cc(Cl)ccc1I)C1(CBr)CC(C)(C)C1 2108316091 DDOVQGINPLTIIK-UHFFFAOYSA-N 456.593 5.330 50 10 JKGE COc1cc(Cl)c([C@H](Br)c2cc(Br)c(Cl)s2)cc1Cl 2115942175 IQZKSSGYPVBKJX-NSHDSACASA-N 465.421 6.964 50 10 JKGE F[C@H]1[C@@H](Br)C[C@H]2CC[C@H]1N2Cc1cccc(Br)c1Br 2134122356 JXQCTAIMHHMAKP-LEKOTGGOSA-N 455.991 5.050 50 10 JKGE CC[C@@H]1CC[C@H]([C@H](Br)c2c(C)c(Br)cc(C)c2Br)O1 2136712680 MYWJTJQTRAZZMR-HCKVZZMMSA-N 455.028 6.222 50 10 JKGE COc1c(Cl)cc(Br)cc1[C@@H](Cl)c1cccc(I)c1 2138253591 SMSBRHRQICNDET-ZDUSSCGKSA-N 471.947 6.044 50 10 JKGE Brc1scc([C@H](Br)c2ccc3c(c2)OCCCO3)c1Br 2150342813 ZHFCXNMZSCGQEU-GFCCVEGCSA-N 483.019 5.919 50 10 JKGE CS(=O)(=O)c1sccc1[C@@H](Br)c1cc(Br)c(Cl)cc1F 2154108973 NSIOQKDJODBTNH-LLVKDONJSA-N 462.587 5.191 50 10 JKGE Fc1ccc2nc(CCl)n([C@@H]3CCCCN(Cc4ccccc4)C3)c2c1Br 2158576527 YZPUQVNCSGBSFZ-MRXNPFEDSA-N 450.783 5.904 50 10 JKGE Cc1cc(C)c([C@H](Br)c2nn(C)c(Br)c2C)c(C)c1Br 2168216537 VJYAJATXHSCODS-ZDUSSCGKSA-N 465.027 5.663 50 10 JKGE COc1ccc(C[C@H](Br)c2cc(Br)cc(Br)c2)cc1F 2168405923 SBLZXLZVGKNRHU-ZDUSSCGKSA-N 466.970 6.038 50 10 JKGE O=C(c1cc(Cl)ccc1I)N(CCBr)Cc1ccsc1 2171085769 STQORYBFNNGYKG-UHFFFAOYSA-N 484.584 5.043 50 10 JKGE FC(F)(F)C1([C@@H](Cl)c2c(Br)sc(Br)c2Cl)CCOCC1 2173209078 TWQVFMOGXMGJIP-ZETCQYMHSA-N 476.967 6.566 50 10 JKGE Fc1cccc(C[C@H](CBr)Cc2cc(Br)ccc2Br)c1 2175148249 WLMWHDIJZLBYRK-LBPRGKRZSA-N 464.998 6.147 50 10 JKGE BrCc1cc(Br)c(OCC2CC(C3CCC3)C2)c(Br)c1 2176830638 JESLXNOHVVMMRT-UHFFFAOYSA-N 467.039 6.312 50 10 JKGE COc1cc(Cl)c([C@H](Cl)c2ccc(F)cc2I)cc1Br 2202348569 ZMGAXCNMYXGSDZ-CQSZACIVSA-N 489.937 6.183 50 10 JKGE Fc1ccc([C@@H](CI)OCc2ccc(F)cc2Br)cc1 2206263792 CHGZXIRTTSEQBR-OAHLLOKOSA-N 453.064 5.420 50 10 JKGE Fc1cc(Br)c(Br)cc1[C@H](Cl)c1cc(Cl)cc(Br)c1 2225635175 UFQCPEYIHBKPCI-CYBMUJFWSA-N 491.807 7.095 50 10 JKGE Cc1cc(Br)c([C@@H](Br)[C@H]2CC3(CC3)CO2)c(C)c1Br 2227351864 OBTFXRJIUSKTQK-RISCZKNCSA-N 453.012 5.834 50 10 JKGE Cc1cc(Br)c([C@H](Br)[C@@]2(C)COCCO2)c(C)c1Br 2227360714 VUFJQAYRDUVUTG-UONOGXRCSA-N 457.000 5.070 50 10 JKGE Clc1cc(Br)c([C@H](Br)[C@@H]2CCCC23CCC3)c(Cl)c1Cl 2232509840 FCPNINANWDVDCP-QPUJVOFHSA-N 461.452 7.816 50 10 JKGE FC(F)C1CC(C[C@H](Br)c2c(Br)cc(Cl)c(Cl)c2Cl)C1 2232527086 MADOOJIPQXNVQN-AHXFUIDQSA-N 471.394 7.527 50 10 JKGE Cc1cc(Br)c([C@H](Br)Cc2ccc(F)cc2)c(C)c1Br 2235603115 HKZNKHOKXCMUIB-CQSZACIVSA-N 464.998 6.646 50 10 JKGE Cc1cc(Br)c([C@@H](Br)[C@@H]2CC23CCCCC3)c(C)c1Br 2235603467 BEWIRMNEBAXCLE-LRDDRELGSA-N 465.067 7.235 50 10 JKGE CC1(C)CN(C(=O)c2cccc(Br)c2Br)C[C@H]1CCBr 2238475551 RKTCYAXYEXIWFM-SNVBAGLBSA-N 468.027 5.095 50 10 JKGE Cc1nn(C)c(Br)c1[C@H](Br)c1sc(C)c(C)c1Br 2253470395 WLKRTZKKFIBDLK-JTQLQIEISA-N 457.029 5.416 50 10 JKGE Cc1sc([C@H](Br)c2cc(Cl)cc(Br)c2)c(Br)c1C 2253503497 FNYCOBCCIPNGEO-GFCCVEGCSA-N 473.455 7.028 50 10 JKGE Cc1c(F)ccc([C@@H](Br)c2ccc(Cl)c(I)c2)c1F 2268283949 KZKMXHZNIPQZBP-ZDUSSCGKSA-N 457.483 6.016 50 10 JKGE C[C@H](Cl)c1nc2cc(Br)c(Br)cc2n1[C@H]1C[C@H](Br)C1 2277878010 SQMHWAXZYGBSPM-FXQIFTODSA-N 471.418 5.960 50 10 JKGE Cc1cc(Br)c([C@H](Cl)c2c(Br)cccc2Br)c(C)c1F 2279149586 QGHLEUVSOZWEGM-AWEZNQCLSA-N 485.416 7.058 50 10 JKGE C=CCC1(CBr)CCN(Cc2ccc(I)c(Cl)c2)CC1 2287716380 OOGUPFVKNRLGJC-UHFFFAOYSA-N 468.604 5.498 50 10 JKGE Cc1oc(C)c([C@@H](Br)c2c(F)cc(Br)c(F)c2Br)c1C 2288492731 JSWDMLOCCMOLFI-GFCCVEGCSA-N 472.949 6.492 50 10 JKGE Cc1ccc(-n2c(SCC(=O)NN=CC=Cc3ccccc3)nnc2-c2ccc(Cl)cc2)cc1 2293345754 WWVQMWGJMUZWAN-UHFFFAOYSA-N 488.016 5.804 50 10 JKGE O=C(C=Cc1cc(Br)ccc1OCc1ccccc1)Oc1ccc([N+](=O)[O-])cc1 2294608748 QRGFCUMEVZLUOX-UHFFFAOYSA-N 454.276 5.555 50 10 JKGE CC1(C)CC2(CC([C@@H](Br)Cc3cc(Br)cc(Br)c3)C2)C1 2295346055 UTUZVBWZMHAMSX-HNNXBMFYSA-N 465.067 6.734 50 10 JKGE COc1c(Br)cc(Cl)cc1[C@H](Br)c1c(Br)nn(C)c1C 2295367461 KKKQHDSKXMCRAP-NSHDSACASA-N 487.417 5.400 50 10 JKGE N#CC(=Cc1ccc(OCc2ccc([N+](=O)[O-])cc2)c(Br)c1)c1ccc(C#N)cc1 2297369585 ZIZQKNZSUCVNSF-UHFFFAOYSA-N 460.287 5.872 50 10 JKGE CCOC(=O)c1c(NC=C(C#N)c2nc(-c3cccc(OC)c3)cs2)sc(C(C)=O)c1C 2297466978 DVYNKINANDERAL-UHFFFAOYSA-N 467.572 5.545 50 10 JKGE Cc1c(Br)sc([C@@H](Br)[C@@H]2CCC[C@H]2C(C)C)c1Br 2309895406 KSEGRPIBWWPQMX-UMNHJUIQSA-N 459.085 7.090 50 10 JKGE CCOC(O)=C(C#N)[C@@H](c1ccccc1)[C@@H](C(=O)Nc1ccc(Br)cc1)[n+]1ccccc1 2313501716 RJVXZOZSUZGBPQ-PKTZIBPZSA-O 493.381 5.030 50 10 JKGE CCOc1cc(C=C(C#N)C(=O)Nc2ccc(OC)cc2)cc(Cl)c1OCc1ccccc1F 2313541031 MHYTUTKCIYFFHP-UHFFFAOYSA-N 480.923 6.011 50 10 JKGE N#CC(=Cc1ccc(OCc2ccc(Cl)c(Cl)c2)cc1)C(=O)Nc1cccc(Cl)c1 2313631408 PWAYGGCOGJZPQZ-UHFFFAOYSA-N 457.744 6.771 50 10 JKGE Cc1ccccc1C[C@H](Br)c1ccc(OCc2ccccc2)cc1Br 2314449965 VDQWMOSBNFLCNP-NRFANRHFSA-N 460.209 7.015 50 10 JKGE Clc1ccc(Cl)c([C@@H](Cl)c2cc(Br)ccc2OCc2ccccc2)c1 2314503374 RMZUDHOXYDHTMU-HXUWFJFHSA-N 456.594 7.663 50 10 JKGE CC1=C(C#N)C(=O)N([C@@H](C)c2ccccc2)C(=O)C1=CNc1ccc(N=Nc2ccccc2)cc1 2314579545 WLTUGLLINNVMEC-FQEVSTJZSA-N 461.525 6.368 50 10 JKGE COc1ccc(N2C(=O)[C@H](Cc3ccccc3F)SC2=C(C#N)C(=O)Nc2ccccc2C)cc1 2314592186 NNCBXTSSTYEBHC-DEOSSOPVSA-N 487.556 5.208 50 10 JKGE CCOc1cc(C=C2C(=O)N(CC(C)C)C(=O)C(C#N)=C2C)ccc1OCc1ccccc1F 2314611064 PORUJVSJXQUKPW-UHFFFAOYSA-N 462.521 5.052 50 10 JKGE CCCCOc1ccc(-c2nn(-c3ccccc3)cc2C=C2C(=O)N(CCC)C(=O)C(C#N)=C2C)cc1 2314611077 PXGKHDDZDPXATI-UHFFFAOYSA-N 494.595 5.720 50 10 JKGE CCN1C(=O)C(=Cc2cn(-c3ccccc3)nc2-c2ccc(OCC(C)C)cc2C)C(C)=C(C#N)C1=O 2314617728 XLLSODKOIBYEGA-UHFFFAOYSA-N 494.595 5.495 50 10 JKGE CC1=C(C#N)C(=O)N([C@H](C)c2ccccc2)C(=O)C1=Cc1ccc(-c2ccccc2[N+](=O)[O-])o1 2314618467 OCDHYSOJGHKSBK-QGZVFWFLSA-N 453.454 5.208 50 10 JKGE CSc1ccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)C=Cc4ccc(C)cc4)ccc32)cc1 2314634365 IIMDKNYQGDQVFO-AREMUKBSSA-N 454.551 5.554 50 10 JKGE COc1cc(C=C(C#N)c2ccccc2)ccc1OC(=O)COc1cc(Cl)ccc1Cl 2314717230 VHGBHICNTOESJY-UHFFFAOYSA-N 454.309 6.051 50 10 JKGE CCOc1cc(C=C(C#N)C(=O)NCc2ccco2)ccc1OC(=O)c1ccc(Cl)cc1Cl 2314753226 NKZUOORAOKFANO-UHFFFAOYSA-N 485.323 5.428 50 10 JKGE COCC1([C@@H](Br)c2sc(Cl)cc2I)CCCCC1 2316605553 HXNLQALIRPVTKB-LBPRGKRZSA-N 463.606 6.039 50 10 JKGE Brc1cc(CO[C@H]2CCCCC[C@H]2Br)ccc1I 2325377535 YABVPIRZDAMHMG-RISCZKNCSA-N 488.001 5.667 50 10 JKGE N#CC(=C(O)Cc1ccc(OCc2ccccc2)cc1)c1nc(-c2cccc([N+](=O)[O-])c2)cs1 2331232504 RUVQVMAACDLNCT-UHFFFAOYSA-N 469.522 6.333 50 10 JKGE CC[C@H](C)[C@H](C(O)=C(C#N)c1nc(-c2ccc(C(C)(C)C)cc2)cs1)N1C(=O)c2ccccc2C1=O 2331332840 UESNKORUSIIABN-BXKMTCNYSA-N 499.636 6.611 50 10 JKGE COc1c(Cl)cc(-c2csc(C(C#N)=C(O)Cc3ccccc3[N+](=O)[O-])n2)cc1Cl 2331396900 LKEYYXFXROBVBU-UHFFFAOYSA-N 462.314 6.069 50 10 JKGE CCCN[C@@H](c1c(Br)cc(C)c(Br)c1C)[C@@H]1C[C@H]1Br 2333708172 CQEHDFHKCOHYJU-UEKVPHQBSA-N 454.044 5.653 50 10 JKGE C[C@@H]1CCCN(Cc2ccc(Cl)c(I)c2)[C@H]1CCBr 2337224219 WMHRXMGPXRUIEU-ABAIWWIYSA-N 456.593 5.330 50 10 JKGE COc1cc(OC)c([C@H](Br)c2cnsc2Br)cc1Br 2337337148 OPTHTXNNRWKZHG-NSHDSACASA-N 471.996 5.170 50 10 JKGE C[C@H](COc1cc(Br)cc(I)c1)c1nc(CCl)cs1 2338674253 QDQFKXQHQPAICT-MRVPVSSYSA-N 472.573 5.432 50 10 JKGE Cc1cc(Br)c(F)c(Br)c1[C@@H](Br)[C@@H]1CCC(C)(C)C1 2339655187 XOFSHBOYFDCJPJ-SKDRFNHKSA-N 457.019 6.921 50 10 JKGE C[C@H]1CC2CC([C@H](Br)Cc3cc(Br)cc(Br)c3)(C2)O1 2342245913 OPBGKQJAWHQNPX-IVOSNHFBSA-N 453.012 5.475 50 10 JKGE Brc1cc2c(cc1[C@H](Br)c1ccsc1Br)CCCO2 2343580745 OHHAMROAZFYXLU-CYBMUJFWSA-N 467.020 6.082 50 10 JKGE Cc1cc(CBr)ccc1OCc1ccc(I)c(Br)c1 2349804160 DAMGYAVMMVWLQC-UHFFFAOYSA-N 495.980 5.836 50 10 JKGE ClCc1cccc(CNCc2ccc(I)c(Br)c2)c1 2349826840 GEKUOMHTJBSGDX-UHFFFAOYSA-N 450.545 5.082 50 10 JKGE C[C@@H](Br)CN(Cc1cc(I)ccc1Cl)CC(C)(C)C 2352415864 NMJNQMCQQWYVPB-LLVKDONJSA-N 458.609 5.576 50 10 JKGE C[C@]1(C(F)(F)F)C[C@H]1[C@@H](Br)c1c(F)cc(Cl)c(Br)c1Cl 2360422021 RKONKFQAKYNUSB-LSMXRSANSA-N 458.902 6.920 50 10 JKGE O=S1(=O)CCCC[C@@H]1[C@@H](Cl)c1c(Cl)cc(Br)c(F)c1Br 2362223467 HYAIPOKSUOUDGV-LDYMZIIASA-N 468.997 5.251 50 10 JKGE Fc1c(Br)cc(Cl)c([C@@H](Br)[C@@]23CCC[C@@H](C2)OC3)c1Br 2362227001 YYCBVTPWSLDABE-MEYOVJIESA-N 491.420 6.399 50 10 JKGE Cc1cc(Br)c(F)c(Br)c1[C@@H](Br)[C@@H]1CCCC(C)(C)O1 2365194586 SHBBWYXQXRMDMF-JQWIXIFHSA-N 473.018 6.443 50 10 JKGE O=C(c1cc(Br)sc1Br)N1CCC[C@H](Cl)[C@H]1C(F)(F)F 2370257979 MSZSDXJSKNQQRO-XPUUQOCRSA-N 455.521 5.047 50 10 JKGE CCc1cccc(CCl)c1OCc1ccc(I)c(Br)c1 2377286527 LKMVKULNDDGXSK-UHFFFAOYSA-N 465.556 5.934 50 10 JKGE Cc1ccc(-c2n[nH]c3c2[C@H](c2ccccc2OCc2ccc(F)cc2)C(C#N)=C(N)O3)cc1 10013823 JSKUACBZQJWQOD-HSZRJFAPSA-N 452.489 5.321 50 10 JKGE CCOC(=O)c1c(-c2ccccc2)csc1NC(=O)/C(C#N)=C\c1ccc(OC)c(OC)c1 33334716 RTLYNOPKCSATJI-PDGQHHTCSA-N 462.527 5.155 50 10 JKGE CC1=Nc2ccccc2/C1=C/NNC(=O)COc1ccc(C(C)(C)CC(C)(C)C)cc1[N+](=O)[O-] 33837322 IFNMHEDJYCYXCI-XSFVSMFZSA-N 464.566 5.455 50 10 JKGE C[C@@H]1Oc2ccccc2C=C1/C=C(/C#N)c1nc(-c2cccs2)c(NC(=O)c2cccs2)s1 34982890 HNRYFUOZCNCTLP-LUJRCDHRSA-N 487.631 6.957 50 10 JKGE CCOc1cc(/C=C2/C(=O)N(Cc3ccccc3Cl)C(=O)C(C#N)=C2C)ccc1OCCC(C)C 38608797 FELZVDVUCXDBCJ-HYARGMPZSA-N 493.003 5.956 50 10 JKGE CC(C)c1ccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4ccccc4Br)ccc32)cc1 38649392 MLJDNCVXVKHZBT-DEOSSOPVSA-N 489.369 6.010 50 10 JKGE CCCCOc1ccc(C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@H]3c2ccc(C(C)C)cc2)cc1 38649512 NJIDUNPZMQHHRY-NDEPHWFRSA-N 482.580 6.426 50 10 JKGE COc1c(Cl)cc(C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@H]3c2ccco2)cc1Cl 38688492 UXNPKLKFSMCYDO-IBGZPJMESA-N 457.269 5.032 50 10 JKGE CCc1ccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4ccc(OC)c(Cl)c4)ccc32)cc1 38700464 ZYYZCJXIMBNQCL-DEOSSOPVSA-N 460.917 5.348 50 10 JKGE N#C/C(=C\c1ccc(-c2cccc(C(F)(F)F)c2)o1)C(=O)Nc1ccc(Cl)c(Cl)c1 39884655 JPHYYLYDRCTACE-UKTHLTGXSA-N 451.231 6.818 50 10 JKGE Cc1cc(C(=O)Oc2ccc(/C=N/NC(=O)[C@H]3C[C@@H]3c3ccc(C(C)(C)C)cc3)cc2)ccc1[N+](=O)[O-] 83295855 ZJLJIUJLFZGTMJ-SVMVUZLFSA-N 499.567 5.674 50 10 JKGE Fc1ccc2cc([C@H](Br)c3cc(Cl)c(Br)cc3F)sc2c1 97896196 COYRNNQXZMRDQY-OAHLLOKOSA-N 452.545 7.080 50 10 JKGE CCc1ccc(N2C(=O)[C@@H](Cc3ccc(C)cc3)S/C2=C(/C#N)C(=O)Nc2ccccc2)cc1 101244341 JXKUAHGFKLZZGN-IEQIIXMPSA-N 467.594 5.622 50 10 JKGE Cc1cc(C)cc(OCCOc2c(Cl)cc(Cl)cc2/C=C(/C#N)C(=O)NCc2ccccc2)c1 101406133 LCGJXTXEVFNJMO-XKZIYDEJSA-N 495.406 6.291 50 10 JKGE CCCCc1ccc(C[C@@H]2S/C(=C(\C#N)C(=O)Nc3ccccc3)N(c3ccccc3C)C2=O)cc1 102667017 FOGNDZAHBFTSMJ-LLDNVPTHSA-N 495.648 6.403 50 10 JKGE Clc1ccc(C[C@@H](Br)c2ccccc2I)cc1Cl 104181522 ZZHRLUYWOPNSDP-LLVKDONJSA-N 455.948 6.277 50 10 JKGE CCOC(=O)/C=C\c1cccnc1N=P(c1ccccc1)(c1ccccc1)c1ccccc1 108800557 LQRBVSTWBCOVEW-MRCUWXFGSA-N 452.494 5.467 50 10 JKGE N#C/C(=C/c1ccc(OCc2ccccc2Cl)cc1)C(=O)Nc1ccc(OCc2ccccc2)cc1 108882509 XYZPJBKXYMIWJL-BWAHOGKJSA-N 494.978 7.044 50 10 JKGE COc1c(Br)cc(Cl)cc1[C@H](Br)c1cccc(Br)c1C 115983405 GRGISFWDKLRTAK-CQSZACIVSA-N 483.425 6.666 50 10 JKGE CCOc1ccc([C@H](Br)c2ccc(Br)cc2F)c(Br)c1 123768802 FYSPFHZPNSXATO-HNNXBMFYSA-N 466.970 6.234 50 10 JKGE Fc1ccc(Cl)c(CC(CBr)(CBr)c2ccc(Br)cc2)c1 126233834 WQAACVCMKUPSKL-UHFFFAOYSA-N 499.443 6.512 50 10 JKGE Fc1cc([C@@H](Br)c2ccc(Br)c3ccccc23)ccc1Br 127464657 VXBVUKKKQHGKHN-QGZVFWFLSA-N 472.977 6.988 50 10 JKGE CCc1ccc([C@@H](Br)c2cc(Br)c(Br)s2)cc1CC 128164573 WFEADGGOKXJIOX-CQSZACIVSA-N 467.064 6.882 50 10 JKGE Cc1ccc([C@@H](Br)c2csc3c(Br)cccc23)cc1Br 130497375 PNWZEDUPJVSKKV-OAHLLOKOSA-N 475.043 7.219 50 10 JKGE CCCCCCCOc1ccccc1/C=N/NC(=O)c1nc(Cl)c(Cl)c(N)c1Cl 169928050 SGGRDHFHFIFETH-BRJLIKDPSA-N 457.789 5.737 50 10 JKGE CCCCNC(=O)/C(C#N)=C\c1ccc(OC(=O)COc2ccccc2-c2ccccc2)c(OC)c1 207147867 NKVOVGBEARWNTH-QJOMJCCJSA-N 484.552 5.170 50 10 JKGE N#C/C(=C/Nc1cc(C(F)(F)F)cc(C(F)(F)F)c1)C(=O)Nc1ccc(Cl)cc1Cl 217177571 HNYHVYHXXWTNTO-HJWRWDBZSA-N 468.184 6.489 50 10 JKGE COc1ccc([C@H](Br)c2cccc(Br)c2F)cc1Br 235000318 SQOOXJQWPSNQRB-ZDUSSCGKSA-N 452.943 5.844 50 10 JKGE 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 254396112 KANYZLRHIUEPFK-AGNJIZASSA-N 472.710 7.268 50 10 JKGE CCN(CC)c1ccc(C=NNC(=O)c2cc(-c3ccc(OCc4ccc(C)cc4)cc3)n[nH]2)cc1 254616799 VFFGPOIXZYKORD-UHFFFAOYSA-N 481.600 5.574 50 10 JKGE CCOc1ccccc1C=NNC(=O)CSc1nnc(-c2ccc(C)cc2)n1-c1ccc(C)cc1 254748721 FRYLWHOKOVAEEZ-UHFFFAOYSA-N 485.613 5.192 50 10 JKGE O=C(CSc1nc2ccccc2n1Cc1ccccc1)NN=Cc1cccc(Oc2ccccc2)c1 254792195 DYUFWEOUISTCPV-UHFFFAOYSA-N 492.604 6.119 50 10 JKGE COc1cc(Cl)c([C@H](Br)c2ccccc2OCc2ccccc2)cc1Cl 311992445 QFCVNPWFHPWYLV-OAQYLSRUSA-N 452.175 7.065 50 10 JKGE Cc1cc(Br)cc([C@@H](Br)c2c(C)cc(C)c(Br)c2C)c1 380482358 WSOUXSORFCNKRM-QGZVFWFLSA-N 461.035 6.930 50 10 JKGE CC(C)(C)[Si](C)(C)OCCc1ccccc1[C@@H]1CCCN(CCO[Si](C)(C)C(C)(C)C)C1 616609415 WDTZOEXIPIVKPB-XMMPIXPASA-N 477.882 7.452 50 10 JKGE CC(C)(C)OC(=O)NCCN1CCC(c2ccc(CCO[Si](C)(C)C(C)(C)C)cc2)CC1 616619814 RHVZYPVLJLJYCK-UHFFFAOYSA-N 462.751 5.955 50 10 JKGE CC(C)(C)[Si](C)(C)OCc1ccccc1[C@H]1CCOCCN1S(=O)(=O)c1ccccc1 616659953 KYDTVDHNMREOLI-HSZRJFAPSA-N 461.700 5.361 50 10 JKGE CC1(C)COc2c([C@@H](Br)c3ccc(Br)s3)cc(Br)cc21 688196036 PLQJEKJKLALZTQ-CYBMUJFWSA-N 481.047 6.427 50 10 JKGE COc1c(C)cc(Br)c(C)c1[C@@H](Br)c1ncsc1Br 698653636 MUWDLFRGJRFLMQ-SNVBAGLBSA-N 470.024 5.778 50 10 JKGE Fc1cc(Br)c(Cl)cc1[C@@H](Br)c1cscc1C(F)(F)F 717178014 KCFRCUMFSBVCHW-LLVKDONJSA-N 452.492 6.806 50 10 JKGE O=C(NN=Cc1c(Oc2ccc(C(F)(F)F)cc2[N+](=O)[O-])ccc2ccccc12)c1ccccc1 1084110707 OTZRYHRLNSECRC-UHFFFAOYSA-N 479.414 6.323 50 10 JKGE CCOc1ccc([C@H](O)CCC(=O)NN=Cc2cc(C)n(-c3cccc4ccccc34)c2C)cc1 1084166378 XGKJZWTZSRVYLM-MUUNZHRXSA-N 469.585 5.610 50 10 JKGE CC(C)(C)c1ccc(OCC(=O)NN=Cc2ccc(Sc3nc4ccccc4s3)o2)cc1 1084501323 HOZWEZQUTOGCIR-UHFFFAOYSA-N 465.600 5.867 50 10 JKGE COc1ccc(/C(C#N)=C/c2ccc(OC(=O)c3ccc(F)c(F)c3)c(OC)c2)cc1OC 1615066158 ZEWUTJNJCZDMBB-VCHYOVAHSA-N 451.425 5.274 50 10 JKGE Cc1c(C(=O)Oc2cccc3cccnc23)oc2c1C(=NNC(=O)c1cccc3ccccc13)CCC2 1772746988 CAOIJUPNUPSRPE-UHFFFAOYSA-N 489.531 5.979 50 10 JKGE CCCc1nn(CCC)c2c1[C@H](c1ccc(OCCc3ccccc3)c(OC)c1)C(C#N)=C(N)O2 1865688018 GQZXKGGICKIDCK-RUZDIDTESA-N 472.589 5.094 50 10 JKGE CCCOc1cccc([C@H]2C(C#N)=C(N)Oc3c2c(C(F)(F)F)nn3-c2ccc(Cl)cc2)c1 1865693972 NKIJXSHGXLHVKG-SFHVURJKSA-N 474.870 5.551 50 10 JKGE CCc1nn(Cc2cccc(F)c2)c2c1[C@H](c1ccc(OCc3ccccc3C)cc1)C(C#N)=C(N)O2 1865703204 PTGNFHFUDHDLFA-HHHXNRCGSA-N 494.570 5.739 50 10 JKGE CCCC[C@H](NC(=O)C[C@H](c1ccc(C(C)C)cc1)C(C)C)C(=O)Nc1ccc(SC#N)cc1 1866738124 DETYIHXWXDWHLC-UIOOFZCWSA-N 479.690 6.827 50 10 JKGE CCc1nc(Nc2ccc(SC#N)cc2)cc(N2CCO[C@H](c3ccc(Cl)cc3)C2)n1 1868278241 XGLMPZGMRVXUOT-FQEVSTJZSA-N 451.983 5.587 50 10 JKGE COc1ccc(N(C)c2cc(Nc3ccc(SC#N)cc3)nc(-c3ccccc3)n2)cc1OC 1868364969 JTCGVRAGBIDDIJ-UHFFFAOYSA-N 469.570 6.245 50 10 JKGE COc1ccc(-c2csc(/C(C#N)=C(O)/C=C/c3ccc(Cl)c(Cl)c3)n2)cc1OC 1872745080 BBDJGLGKHNFIBX-KYBBCCOLSA-N 459.354 6.640 50 10 JKGE COc1ccc(-c2csc(/C(C#N)=C(\O)CNC(=O)c3ccc(C(C)(C)C)cc3)n2)cc1F 1872752523 HKAAEICWKGFORY-UZYVYHOESA-N 465.550 5.478 50 10 JKGE COc1ccc(-c2csc(/C(C#N)=C(\O)c3c(Cl)ccc(Cl)c3OC)n2)c(C)c1C 1872754160 FZRSXELTQORUSL-ZHZULCJRSA-N 461.370 6.701 50 10 JKGE CCOc1ccc(-c2csc(/C(C#N)=C(\O)Cc3ccc(Br)cc3)n2)c(OCC)c1 1872755603 WEOACUDBPIGXDA-VZCXRCSSSA-N 485.403 6.405 50 10 JKGE COc1ccc(/C=C/C(O)=C(\C#N)c2nc(-c3cc(Cl)c(OC)cc3OC)cs2)c(OC)c1 1872756668 UYVUUOSACMCMFO-AHUVHIBXSA-N 484.961 6.004 50 10 JKGE BrCc1cc(Br)cc(Br)c1OC[C@]12CCCC[C@H]1C2 1880375630 HCITZKMQOZQLGW-XHDPSFHLSA-N 453.012 6.066 50 10 JKGE C[C@H](Br)CN(Cc1ccccc1)S(=O)(=O)c1ccc(Cl)cc1C(F)(F)F 1914653994 BKCPXJMVAYDQIB-LBPRGKRZSA-N 470.738 5.333 50 10 JKGE CN(C[C@H](Br)COCc1ccccc1)C(=O)c1c(Cl)cccc1C(F)(F)F 1916369756 NITRSBNKENQSED-AWEZNQCLSA-N 464.709 5.411 50 10 JKGE Cc1c(Br)sc([C@H](Br)[C@@H]2C[C@H](C)O[C@H](C)C2)c1Br 1922921381 QBMICSNANKNCCN-VFYMIVFZSA-N 461.057 6.221 50 10 JKGE Fc1cc(Cl)ccc1[C@H](Br)c1c(Br)sc(Br)c1Cl 1923055560 VMUGNJUQZQBULV-QMMMGPOBSA-N 497.836 7.203 50 10 JKGE FC1CC(C[C@H](Br)c2c(Br)sc(Br)c2Br)C1 1924571090 ONFDWTZWDPLXMD-WRVKLSGPSA-N 499.863 6.610 50 10 JKGE Cl[C@H](c1c(Br)sc(Br)c1Br)[C@]12CCCC[C@H]1CCC2 1924616394 OEYHYHRKFAHVEG-UPLXVJCVSA-N 491.514 7.676 50 10 JKGE CC1CC(C[C@@H](Br)c2c(Br)sc(Br)c2Cl)C1 1926974824 VOJMQFGSNSBWIF-KPGICGJXSA-N 451.449 6.799 50 10 JKGE CCc1cc(Br)c([C@@H](Br)c2cc(I)sn2)s1 1983292747 KYSRKZOXWDPXSL-VIFPVBQESA-N 493.027 5.618 50 10 JKGE C[C@@H](C[C@H](Cl)c1c(Br)sc(Br)c1Br)C1CC1 1983715144 FORRBWPMHRQYJP-FSPLSTOPSA-N 451.449 6.752 50 10 JKGE Cc1nn(C)c(Br)c1[C@H](Cl)c1cc(Br)c(Br)s1 2013202718 NVCFIKALVKNQJL-MRVPVSSYSA-N 463.420 5.406 50 10 JKGE CC[C@@H]1CC[C@@H]([C@H](Br)c2c(Br)sc(Br)c2Cl)O1 2023216350 XIPFGGNOJSITDY-CHKWXVPMSA-N 467.448 6.320 50 10 JKGE Fc1cc(Br)c([C@@H](Br)c2sncc2Br)c(F)c1F 2028525911 XQKZKCMWCLHTQM-SSDOTTSWSA-N 465.914 5.570 50 10 JKGE Cc1cc(Br)c(F)c([C@H](Br)c2sc(C)cc2Br)c1 2028924132 OGAJJDWBXQYREL-NSHDSACASA-N 457.000 6.513 50 10 JKGE CCc1sc(Br)cc1[C@@H](Br)c1cccc(C)c1Br 2030222298 QFKIBKGZRTYEGC-AWEZNQCLSA-N 453.037 6.628 50 10 JKGE Cn1ncc([C@H](Br)c2cc(C3CC3)c(Br)s2)c1Br 2033642711 LFYNFKDAFVIAFJ-JTQLQIEISA-N 455.013 5.368 50 10 JKGE Fc1cc(Br)c([C@H](Br)c2cc(Br)cs2)c(F)c1F 2052450191 JWJGJEVILAZPRM-SECBINFHSA-N 464.926 6.175 50 10 JKGE Cc1cc(CBr)cc(S(=O)(=O)N(Cc2ccccc2)CC2CC2)c1Br 2059287276 VTOVAEYCHZDUKN-UHFFFAOYSA-N 487.257 5.253 50 10 JKGE CCn1cc(Br)c([C@@H](Cl)c2c(Cl)sc(Br)c2Cl)n1 2060856270 PSWAQUKYAOXAPY-LURJTMIESA-N 453.414 6.125 50 10 JKGE C[C@H](COc1c(Br)cc(CBr)cc1Br)P(C)(C)=O 2084154509 KGHICGNKWYKIKQ-MRVPVSSYSA-N 462.944 5.497 50 10 JKGE Clc1ccc(I)c([C@@H](Br)c2cc3sccc3s2)c1 2084759499 JNDNGAAWVXMCPF-CYBMUJFWSA-N 469.594 6.705 50 10 JKGE Fc1ccc([C@@H](Br)c2ccc(CC3CC3)s2)c(I)c1 2087639520 GVMAGGOLUJBJNT-OAHLLOKOSA-N 451.142 5.929 50 10 JKGE Fc1cc(Br)cc([C@H](Br)c2cc(C3CC3)c(Br)s2)c1 2094673242 JCTNOYCGIIMDJH-ZDUSSCGKSA-N 469.011 6.774 50 10 JKGE BrC[C@@H]1CCC2(CC2)CN1Cc1c(Br)cccc1Br 2097884647 HFCWRGXBKXYTJD-NSHDSACASA-N 452.028 5.351 50 10 JKGE CN(c1ccc(Br)cc1)c1c(CBr)ccc(Br)c1Cl 2098116181 GCSCBTARENOQTA-UHFFFAOYSA-N 468.414 6.528 50 10 JKGE CN(Cc1cc(Br)ccc1Br)C1(CBr)CCCCC1 2118518689 BLXWOYZBTODEGG-UHFFFAOYSA-N 454.044 5.741 50 10 JKGE C[C@H]1OCC[C@H]1CC(CBr)(CBr)c1ccccc1Br 2121127550 ZORQJUPZERFZPB-NEPJUHHUSA-N 455.028 5.292 50 10 JKGE Clc1ccc(I)c(CN2CC3(CCC(Br)CC3)C2)c1 2124676828 LRDAOWFTPVSZFK-UHFFFAOYSA-N 454.577 5.084 50 10 JKGE CC1(C)CCCN(Cc2c(Br)cccc2Br)[C@@H]1CBr 2129320788 SRSICSCDDHFWKK-CQSZACIVSA-N 454.044 5.597 50 10 JKGE COc1cc(Cl)c([C@@H](Br)c2cc(C)c(Br)s2)cc1Br 2137639049 CHYWLSSLIXNMDI-GFCCVEGCSA-N 489.454 6.728 50 10 JKGE FC1CCC(CC(CBr)(CBr)c2ccc(Br)cc2)CC1 2149423180 XQTVYLZJKDTBCO-UHFFFAOYSA-N 471.046 6.395 50 10 JKGE Clc1c(Br)sc(Br)c1[C@H](Cl)[C@@H]1C[C@H]2CCCCCC[C@@H]21 2166117502 FHXFKUIACALXPK-DTHBNOIPSA-N 461.090 7.813 50 10 JKGE Fc1c(COc2ccc(Br)c(CBr)c2)ccc(Cl)c1Br 2166831764 LSLGEKABZYLNPP-UHFFFAOYSA-N 487.388 6.478 50 10 JKGE Cc1ccnc(C)c1COc1c(Br)cc(CBr)cc1Br 2186438718 HOMVCWZCBOHRNE-UHFFFAOYSA-N 463.995 5.697 50 10 JKGE C[C@H](CCC(CBr)(CBr)c1cccc(Br)c1)C(F)(F)F 2191529091 ICFUBKXEXSNCOI-SNVBAGLBSA-N 480.988 6.455 50 10 JKGE C[C@H]1OCC[C@@H]1CCC(CBr)(CBr)c1ccccc1Br 2196315019 KLFZRZXGQUIFMI-OLZOCXBDSA-N 469.055 5.682 50 10 JKGE CO[C@@H]1C[C@H]([C@H](Br)c2ccc(Br)c(C)c2Br)C12CCC2 2203686867 OSLHHNOGHQQSQX-UXIGCNINSA-N 467.039 6.161 50 10 JKGE Cc1sc(C(=O)N(Cc2ccccc2)[C@H](CBr)C2CC2)c(Br)c1C 2215945208 DQOBAKMYUDEACO-MRXNPFEDSA-N 471.258 5.943 50 10 JKGE Cc1ccc([C@@H](C)[C@H](Br)c2cc(Br)c(Br)s2)cc1 2223969513 QSTNAJQLKUWNLJ-RNCFNFMXSA-N 453.037 6.821 50 10 JKGE CCOCc1cc(Br)c([C@H](Br)c2cc(Br)n(C)n2)s1 2224803905 IOJJAKAPFNRAIG-LLVKDONJSA-N 473.028 5.027 50 10 JKGE Cc1cc(Br)c([C@H](Br)[C@H]2CCCC(C)(C)O2)cc1Br 2226845864 ZULPDYQIIJPWER-KGLIPLIRSA-N 455.028 6.304 50 10 JKGE COc1cc(Br)c([C@H](Cl)c2csc(Br)c2Br)cc1C 2227737251 GTVWKIWDNWIZEV-LBPRGKRZSA-N 489.454 6.681 50 10 JKGE Fc1cc([C@H](Br)Cc2ccc(Br)cc2Cl)ccc1Br 2229148722 FFVGQACOSWXQDC-GFCCVEGCSA-N 471.389 6.683 50 10 JKGE CCc1ccc([C@H](Br)c2c(Br)cc(Cl)c(Cl)c2Cl)cc1 2232510772 IJFRDWMNWAGEPT-ZDUSSCGKSA-N 457.420 7.456 50 10 JKGE COc1ccc([C@@H](Br)c2csc(Br)c2Br)cc1C(C)C 2233132594 FVGVKGMKXZYDFP-CYBMUJFWSA-N 483.063 6.889 50 10 JKGE Fc1cc(Br)c(Br)cc1[C@H](Br)C1(C(F)(F)F)CCCC1 2233976080 NMIUBOQJHUOCBI-NSHDSACASA-N 482.935 6.909 50 10 JKGE Cc1cc(Br)c([C@H](Br)CC(C)(C)C(F)(F)F)c(C)c1Br 2235614804 LPIGIKUYSKKYTB-SNVBAGLBSA-N 480.988 7.243 50 10 JKGE FC1(CC(CBr)(CBr)c2cccc(Br)c2)CCOCC1 2238310001 OGAJGVWPKVSMQU-UHFFFAOYSA-N 473.018 5.386 50 10 JKGE Clc1ccc(I)c([C@H](Br)c2ccc([C@@H]3CCOC3)s2)c1 2240431715 LPEXKNLSLAFSSY-PSLIRLAXSA-N 483.596 5.994 50 10 JKGE COc1ccc([C@H](Br)c2ccc(Br)s2)cc1I 2248886520 GMKNAPFSDXEUJS-LBPRGKRZSA-N 487.982 5.608 50 10 JKGE Cc1ccc([C@H](Br)c2scc(Br)c2Cl)c(C)c1Br 2253599480 LFTPYRHYQSEPJM-NSHDSACASA-N 473.455 7.028 50 10 JKGE Fc1cc([C@@H](Cl)c2sc(Cl)cc2Br)c(Cl)cc1Br 2255967461 GLXLBTWNLPANGZ-SNVBAGLBSA-N 453.385 7.047 50 10 JKGE Cc1nc([C@H](Cl)Cc2cc(Br)cc(Br)c2)c(Br)s1 2263512371 ZSEAISRUSISPPG-SNVBAGLBSA-N 474.443 6.262 50 10 JKGE Cc1cc(Br)c([C@@H](Cl)c2cccc(Cl)c2Br)cc1Br 2267980635 WZGFRVMCMBAZOM-AWEZNQCLSA-N 487.844 7.264 50 10 JKGE CCCc1ncc2nc([C@@H](C)Cl)n(CCCN(Cc3ccccc3)Cc3ccccc3)c2n1 2271110031 SZVLYNNLIYZNRZ-OAQYLSRUSA-N 462.041 6.171 50 10 JKGE C[C@@H]1CCC[C@@H]([C@H](Br)c2c(F)cc(Br)c(F)c2Br)O1 2272721771 LTWPKRHXBCBWSL-PUMQYWBSSA-N 462.954 5.883 50 10 JKGE Fc1cccc(Br)c1COc1ccc(Br)cc1CBr 2273848778 HUZWXRROOMMAGV-UHFFFAOYSA-N 452.943 5.825 50 10 JKGE FC(F)(F)[C@@H]1C[C@@H]1C[C@H](Br)Cc1cc(Br)cc(Br)c1 2277957563 VOHUYUYUHBPXJG-YGOYTEALSA-N 464.945 6.106 50 10 JKGE FC(F)(F)[C@@H]1CC[C@H]1[C@H](Br)Cc1cc(Br)cc(Br)c1 2277957899 YGIAWTBJTBASGD-IJLUTSLNSA-N 464.945 6.106 50 10 JKGE Brc1cc(Br)cc(C[C@H](Br)C23CCC(CC2)CC3)c1 2277962483 IDHHJOIUSFLDJI-AJQRCPHMSA-N 451.040 6.488 50 10 JKGE Fc1cc([C@H](Cl)c2cc(C3CC3)c(Br)s2)c(Cl)cc1Br 2282906454 BTVGRHCSQOHFON-ZDUSSCGKSA-N 459.005 7.271 50 10 JKGE COc1c([C@H](Br)c2scc(C)c2Br)cc(Br)c(C)c1C 2284584018 NQZLPFBBZXDILB-ZDUSSCGKSA-N 483.063 6.691 50 10 JKGE COc1ccc([C@H](Br)[C@]2(C)CC[C@@H](C)C2(C)C)cc1I 2285012358 VDKQVPSXSACBMU-PJQXDXOGSA-N 451.186 6.198 50 10 JKGE COc1cc(C)c(Br)c(C)c1[C@@H](Br)c1cc(C)c(Br)s1 2285075532 UFYYCAHCMCKPNW-AWEZNQCLSA-N 483.063 6.691 50 10 JKGE Brc1cc(Br)cc(C[C@H](Br)[C@@H]2C[C@@H]2c2ccccc2)c1 2295345332 KTVRODLUSBGAHY-ZACQAIPSSA-N 459.019 6.321 50 10 JKGE COc1c(Br)cc([C@H](Br)c2ncsc2Br)c(OC)c1C 2295435362 RPBBMYRUTASXMQ-VIFPVBQESA-N 486.023 5.478 50 10 JKGE N#CC(=Cc1cccc(OCc2ccccc2Cl)c1)C(=O)Nc1ccccc1C(F)(F)F 2296649579 LHKHKDIBZCACBC-UHFFFAOYSA-N 456.851 6.483 50 10 JKGE Cc1ccc(Cc2cnc(NC(=O)C(C#N)=Cc3ccc(-c4ccc(Cl)cc4)o3)s2)cc1 2296832281 JFLKEHOKXDTSKM-UHFFFAOYSA-N 459.958 6.501 50 10 JKGE CCc1ccccc1NC(SCc1ccc(Cl)cc1)=C(C#N)S(=O)(=O)c1ccccc1 2297350025 NKLQAJUEYAALBG-UHFFFAOYSA-N 469.031 6.414 50 10 JKGE N#CC(=Cc1ccc(N(CCCl)CCCl)cc1)C(=O)Nc1ccc(Br)cc1 2297450697 IOBZOVHHOBDOAG-UHFFFAOYSA-N 467.194 5.279 50 10 JKGE CCCN[C@@H](c1cc(Br)ccc1OCc1ccccc1)[C@@H]1C[C@@H]1Br 2299496439 NTHWVIOEXVQMJM-IMFGXOCKSA-N 453.218 5.852 50 10 JKGE COc1cc([C@@H](Br)c2cc(Br)sc2Br)sc1Cl 2301935300 LTSKLGUBJWOZIJ-QMMMGPOBSA-N 481.456 6.481 50 10 JKGE C=CCC(CBr)(CBr)Cc1ccc(Cl)cc1I 2302328365 ISGDYEPDYSQZTR-UHFFFAOYSA-N 492.420 5.839 50 10 JKGE FC1(F)CC[C@@H]2[C@@H]([C@H](Cl)c3c(Br)sc(Br)c3Br)[C@@H]21 2309460287 VZEFOQJDFFBAFL-CGYXXGFUSA-N 485.413 6.607 50 10 JKGE FC1(F)CCC[C@@H]2[C@@H]([C@@H](Br)c3sc(Br)cc3Br)[C@@H]21 2309469481 BLDFJBTYSKUREH-UUOKUNOPSA-N 464.995 6.391 50 10 JKGE Cc1ccc(-n2c(C)cc(C=C(C#N)C(=O)Nc3cccc(Cl)c3Cl)c2C)cc1[N+](=O)[O-] 2313571203 PQZPNSRFZXRSNQ-UHFFFAOYSA-N 469.328 6.163 50 10 JKGE CCOc1cc(Br)c(C=C(C#N)C(=O)Nc2sc3c(c2C#N)CCCC3)cc1OC 2313630779 SRJYOPSCHCWICM-UHFFFAOYSA-N 486.391 5.214 50 10 JKGE CC1(C)C[C@@H](C[C@@H](Br)c2ccc(OCc3ccccc3)cc2Br)CO1 2314440858 TVGQQOGDTJQKIR-VQIMIIECSA-N 468.229 6.669 50 10 JKGE CC1(C)[C@H]2CO[C@@]1([C@H](Br)c1ccc(OCc3ccccc3)cc1Br)C2 2314493373 ZMYSBVGTSTXQBT-QFIXIFRTSA-N 466.213 6.279 50 10 JKGE COc1cc(C=C2C(=O)N(Cc3ccccc3)C(=O)C(C#N)=C2C)ccc1OCc1ccc(F)cc1 2314618094 HFXFCGKEFZWJEV-UHFFFAOYSA-N 482.511 5.206 50 10 JKGE Brc1cc2c(cc1[C@H](Br)c1cnsc1Br)CCO2 2315644023 LIQVQHOTMXQBFS-NSHDSACASA-N 453.981 5.087 50 10 JKGE Fc1cccc(F)c1C[C@@H](Br)c1sc(Cl)cc1I 2316599167 MSYJMGIIPBEWBA-SSDOTTSWSA-N 463.512 5.963 50 10 JKGE CCc1cc(C)sc1[C@@H](Br)c1ccc(Cl)cc1I 2317773267 BRXSRPJDUVQHFN-ZDUSSCGKSA-N 455.586 6.361 50 10 JKGE COc1cc(C=C(C#N)c2cccc(Cl)c2)ccc1OC(=O)[C@@H](C)N1C(=O)c2ccccc2C1=O 2320506352 HUKKUNOQAHWQFU-MRXNPFEDSA-N 486.911 5.003 50 10 JKGE CC[C@H](NC(=O)C(C#N)=CNc1cc(C(F)(F)F)cc(C(F)(F)F)c1)c1ccc2c(c1)CCCC2 2325092536 JUSBVACFPIGJSE-QFIPXVFZSA-N 495.467 6.690 50 10 JKGE Cc1cc(I)ccc1NC(=O)C(C#N)=CN[C@H](C)c1ccc2c(c1)CCCC2 2325406010 IJFDRAMHJXNHBG-MRXNPFEDSA-N 485.369 5.175 50 10 JKGE N#CC(=C(O)c1ccc(Cl)cc1[N+](=O)[O-])c1nc(-c2ccc(Cl)cc2Cl)cs1 2331254345 ADITYEVOPIXVTB-UHFFFAOYSA-N 452.706 6.628 50 10 JKGE COc1ccc(Cl)cc1N1C[C@@H](C(O)=C(C#N)c2nc(-c3ccc(Cl)cc3)cs2)CC1=O 2331299269 OSEYRCCEYQGLHH-AWEZNQCLSA-N 486.380 5.971 50 10 JKGE N#CC(=C(O)CCCN1C(=O)c2ccccc2C1=O)c1nc(-c2c[nH]c3ccccc23)cs1 2331346895 LWIJKBRBKYNNDP-UHFFFAOYSA-N 454.511 5.160 50 10 JKGE COc1ccc(-c2csc(C(C#N)=C(O)CCCOc3cc(C)c(Cl)c(C)c3)n2)c(C)c1C 2331362208 JEFCGIJIDUICNE-UHFFFAOYSA-N 483.033 7.358 50 10 JKGE COc1cc(OC)c(-c2csc(C(C#N)=C(O)Cc3ccc(OC(C)C)cc3)n2)cc1Cl 2331377584 OSNYCGAOXFKDED-UHFFFAOYSA-N 470.978 6.303 50 10 JKGE COc1cc(Cl)c(C)cc1-c1csc(C(C#N)=C(O)C=Cc2cccc([N+](=O)[O-])c2)n1 2331390571 OUFMGJUZKLQUPC-UHFFFAOYSA-N 453.907 6.195 50 10 JKGE COc1ccc(-c2csc(C(C#N)=C(O)C=Cc3ccc(Cl)c(Cl)c3)n2)cc1Cl 2331398087 DRYQWTFSXKCYFN-UHFFFAOYSA-N 463.773 7.285 50 10 JKGE COc1ccc(-c2csc(C(C#N)=C(O)c3ccc(Cl)c([N+](=O)[O-])c3)n2)c2ccccc12 2331408296 UMHHKWVJIKYZQS-UHFFFAOYSA-N 463.902 6.483 50 10 JKGE COc1cc(-c2csc(C(C#N)=Cc3cccc(OCc4ccccc4)c3)n2)c(OC)cc1Cl 2331471809 IMPPROFCDGYRBD-UHFFFAOYSA-N 488.996 7.124 50 10 JKGE Cc1ccc(C(C)(C)C)cc1-c1csc(C(C#N)=Cc2ccccc2OCc2ccc(Cl)cc2)n1 2331478942 JNCJUDXLVSTFBJ-UHFFFAOYSA-N 499.079 8.713 50 10 JKGE Cc1cc(I)c(Oc2cccc(C)c2CBr)cc1Cl 2336550873 JZGARIXZINATLK-UHFFFAOYSA-N 451.529 6.249 50 10 JKGE Fc1c(Br)cc(Cl)c([C@H](Br)[C@H]2CCC[C@H](F)C2)c1Br 2337084666 NXCKXCFUTGJROS-OKTBNZSVSA-N 481.400 6.968 50 10 JKGE CC[C@@H]1CC[C@H]([C@H](Br)c2c(Cl)cc(Br)c(F)c2Br)O1 2337086736 PMCDBGJCZNPTNA-CGYDSVCVSA-N 479.409 6.398 50 10 JKGE O=S1(=O)CCC[C@H]1[C@@H](Br)c1c(Cl)cc(Br)c(F)c1Br 2337096437 HHEYENXTDXLLIG-IONNQARKSA-N 499.421 5.017 50 10 JKGE Fc1c(Br)cc(Cl)c([C@@H](Br)[C@@]23CCCC[C@@H]2C3)c1Br 2337107185 QFPKNEXCBMHXLC-HGDANNRKSA-N 475.421 7.020 50 10 JKGE Cc1cc(Br)c(F)c(Br)c1[C@H](Br)[C@@H]1C(F)(F)C12CC2 2339682474 SPHDDCXBWKGCJV-ONGXEEELSA-N 462.929 6.140 50 10 JKGE CC1(C)C[C@@H](Br)CCN(Cc2ccc(Cl)cc2I)C1 2341043166 PFSVOFMOMHNULZ-LBPRGKRZSA-N 456.593 5.330 50 10 JKGE CC1=C(C)C[C@@](CBr)(Cc2cc(Br)ccc2Br)CC1 2343455579 HSPMQZDSCNKJGS-MRXNPFEDSA-N 451.040 6.656 50 10 JKGE Fc1cc(Cl)c(Br)c(Cl)c1[C@H](Br)[C@@]12COC[C@H]1C2(F)F 2360484694 UVJRDOHHLVTNAV-LIEZGIJOSA-N 454.895 5.613 50 10 JKGE CCCCC1CCC([C@@H](Br)c2ccc(OCc3ccccc3)cc2Br)CC1 2361196425 XTGXLMIGVGAATD-SCPLRKQGSA-N 494.311 8.461 50 10 JKGE COc1c(Br)cc(C)cc1[C@@H](Cl)c1c(Br)c(Br)nn1C 2364069487 JBOPNOUFULGOHM-SNVBAGLBSA-N 487.417 5.353 50 10 JKGE O=C(N[C@@H]1CCCC[C@H]1CCBr)c1ccc(Cl)cc1I 2365599191 UUISADGPYZSVJZ-IINYFYTJSA-N 470.576 5.018 50 10 JKGE CC1(C)[C@H]2CC[C@@H](C2)[C@]1(CI)OCc1cccc(I)c1 2367351585 DFTMOEZOFIZRLN-ZQIUZPCESA-N 496.170 5.438 50 10 JKGE Cc1ccccc1C[C@H](CCl)Cc1ccc(I)c(Br)c1 2377352819 MRZJMBZXXOUPRW-CQSZACIVSA-N 463.584 6.002 50 10 JKGE CC1(C)CCC[C@](CBr)(Cc2cc(I)ccc2Cl)CC1 2380448939 WPVLCWPKOCCEQV-QGZVFWFLSA-N 469.632 6.859 50 10 JKGE CC(/C=N/NC(=O)CNc1ccc(I)cc1C)=C\c1ccc(C(C)C)cc1 1959783 FIWQNDZNHVDCJX-JSFVNJMUSA-N 475.374 5.340 50 10 JKGE COc1cc(C=NNC(=O)c2ccc(Cn3nc(C)c(Cl)c3C)o2)ccc1OCc1ccccc1 8454274 MQSYIBADYSXGKP-UHFFFAOYSA-N 492.963 5.146 50 10 JKGE CCSc1ccsc1[C@@H]1C(C#N)=C(N)N(c2ccccc2Cl)C2=C1C(=O)CC(C)(C)C2 9981913 LMBAQRSNPKPVCW-HXUWFJFHSA-N 470.063 6.454 50 10 JKGE CC(C)c1ccc(OCC(=O)N/N=C/c2ccc(OCc3ccccc3)cc2)c(Br)c1 12579967 SVCLSLKLKGSYPQ-JFLMPSFJSA-N 481.390 5.681 50 10 JKGE CCOc1ccc(Br)cc1/C=N/NC(=O)c1ccc(OCc2ccccc2)cc1 20177065 KGVJJZKGLIUDMU-MFKUBSTISA-N 453.336 5.191 50 10 JKGE N#C/C(=C\c1ccc(-c2ccc([N+](=O)[O-])cc2Cl)o1)c1nc(-c2cccc3ccccc23)cs1 28356175 BUEDRTASVXZPAU-SFQUDFHCSA-N 483.936 7.849 50 10 JKGE CC(C)(C)[C@H]1CCc2nc(NC(=O)/C(C#N)=C\c3ccc(-c4ccccc4Cl)o3)sc2C1 33629120 DOQOQCWWEOQVGF-IRVMHKCDSA-N 466.006 6.753 50 10 JKGE N#C/C(=C/c1ccccc1OCc1ccccc1)C(=O)Nc1ccc([N+](=O)[O-])cc1C(F)(F)F 33930408 KSYICUIFZVDTCC-PDGQHHTCSA-N 467.403 5.738 50 10 JKGE CCCCC(=O)N(/N=C/c1cccc(OC)c1)c1nc(C(F)(F)F)c(-c2ccc(F)cc2)s1 35167020 UIAUDCMANGKREJ-CCVNUDIWSA-N 479.499 6.534 50 10 JKGE N#C/C(=C\c1cn(-c2ccccc2)nc1-c1ccc(Cl)cc1)c1ccc(Cl)cc1Cl 35516202 IGHZAGJJEQTERT-SFQUDFHCSA-N 450.756 7.564 50 10 JKGE CCc1cccc(N2C(=O)CS[C@H]2c2ccc(NC(=O)[C@@H](Cl)c3ccccc3)cc2)c1 35928736 CUHKRGRXCKPVNH-ZCYQVOJMSA-N 450.991 5.946 50 10 JKGE COc1ccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4oc5ccc(C)cc5c4C)ccc32)cc1 40530355 SCHLSVQVVYMWJE-VWLOTQADSA-N 466.493 5.496 50 10 JKGE Cc1cccc(NC(=O)c2oc3c(c2C)/C(=N/NC(=O)c2ccc(Cl)cc2Cl)CCC3)c1C 40813668 SGDKVGBLINGQES-ZTKZIYFRSA-N 484.383 6.234 50 10 JKGE COc1cc(/C=C(\C#N)C(=O)Nc2cccc(C)c2C)cc(Br)c1OCc1ccccc1 59474955 HCGDUUBLIIVIJV-CIAFOILYSA-N 491.385 6.199 50 10 JKGE C=CCc1cc(/C=N/NC(=O)c2ccc(-n3c(C)ccc3-c3ccccc3)cc2)ccc1OCC 59680354 VHQPLVZHLNEFFZ-NJZRLIGZSA-N 463.581 6.344 50 10 JKGE Cc1ccc(/N=C(O)/C(C#N)=C\c2cn(Cc3cccc4ccccc34)c3ccccc23)c([N+](=O)[O-])c1 96453221 MWBRUYIQRKMYOB-KQWNVCNZSA-N 486.531 7.255 50 10 JKGE CCCCOc1ccc([C@@H](C(=O)NC2CCCCC2)N(Cc2ccco2)C(=O)CCl)cc1 97915123 GGVGUTSZVNTCIO-DEOSSOPVSA-N 461.002 5.216 50 10 JKGE CCCCCCCOc1ccc(C(=O)NC(=S)NNC(=O)c2ccc(OCC(C)C)cc2)cc1 100154561 ARAHNPSWIFHAJN-UHFFFAOYSA-N 485.650 5.020 50 10 JKGE COc1ccc(CCN2C(=O)C(C#N)=C(C)/C(=C\Nc3ccc(/N=N/c4ccccc4)cc3)C2=O)cc1 101233693 CZWLPSOORUZCFC-STPHSBJZSA-N 491.551 5.858 50 10 JKGE Cc1cc(C)cc(N/C(SCc2ccc(Cl)cc2)=C(\C#N)S(=O)(=O)c2ccccc2)c1 104398778 UNMGVKLOSUDENH-VHXPQNKSSA-N 469.031 6.469 50 10 JKGE BrCC(CBr)(Cc1cscn1)c1ccc(Br)cc1 118671778 FRWYIJPSFJZRST-UHFFFAOYSA-N 454.025 5.176 50 10 JKGE CCOc1ccc([C@@H](Br)c2ccc(Br)cc2Cl)c(Br)c1 123729336 KYXVGPUKGITSEF-OAHLLOKOSA-N 483.425 6.748 50 10 JKGE Cc1cc(Br)c([C@@H](Br)Cc2c(F)cccc2F)cc1Br 128784151 IFSXMQHFDNUESK-ZDUSSCGKSA-N 468.961 6.477 50 10 JKGE Clc1cccc([C@H](Br)c2csc3c(Br)cccc23)c1Cl 163527833 ILQCZTMXVQWBBR-ZDUSSCGKSA-N 451.010 7.455 50 10 JKGE COc1cc(Cl)c([C@@H](Br)c2ccc(OC)c(Br)c2)cc1Cl 164544820 RTHSDIMYRQUWAV-HNNXBMFYSA-N 454.973 6.257 50 10 JKGE COc1ccc(/C=C\C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@H]3c2ccc(C(C)C)cc2)cc1 205640824 JQNJHXSSXDLNNB-IKWACOBUSA-N 466.537 5.656 50 10 JKGE CC[C@@H](NC(=O)/C(C#N)=C\Nc1ccc(Br)cc1C)c1ccc2c(c1)CCCC2 217192717 DMPJKEMEFJVBDY-MNJKBJKMSA-N 452.396 5.723 50 10 JKGE COc1cccc(CN(C(=O)CCl)[C@H](C(=O)N[C@@H]2CCC[C@H](C)[C@@H]2C)c2ccc(F)cc2)c1 225454054 QEBWVOUNMHLUBH-RQDMQHKKSA-N 475.004 5.084 50 10 JKGE CCCOc1ccc([C@@H](Br)c2ccc(Br)c(Cl)c2)cc1Br 229006880 GJGLIVRGPWNDNU-MRXNPFEDSA-N 497.452 7.138 50 10 JKGE O=C(N[C@@H](CBr)c1ccccc1)c1ccc(Br)cc1Br 232457119 QBBSKTNCOHUWQM-AWEZNQCLSA-N 461.979 5.078 50 10 JKGE CC(C)(C)c1ccc([C@@H](Cl)c2cc(Br)ccc2I)s1 232562635 GOHHKQIIDVFGSR-AWEZNQCLSA-N 469.613 6.741 50 10 JKGE Cl[C@@H](c1ccc2c(c1)CCCO2)c1cc(Br)ccc1I 236040328 VULIQWMFPJLDQT-INIZCTEOSA-N 463.540 5.707 50 10 JKGE CCCCc1ccc(OCC(=O)NN=Cc2c(OC(=O)c3ccc(C)cc3)ccc3ccccc23)cc1 254444074 XBFWVAHIKSMKEY-UHFFFAOYSA-N 494.591 6.239 50 10 JKGE COc1ccc2[nH]c3c(c2c1)CCn1c-3nc2sc3c(c2c1=NP(=O)(Cl)Cl)CCCC3 263628805 FMZDZSXCICPLOL-UHFFFAOYSA-N 493.356 6.176 50 10 JKGE CC(C)(C)OC(=O)N1CCC[C@@](CI)(OCC2CCCCCC2)C1 304216015 QLSUJXLNLJCPKC-IBGZPJMESA-N 451.389 5.178 50 10 JKGE C[C@@H]1COc2ccc([C@@H](Br)c3sccc3I)cc2OC1 380586338 WTGDFCXTQFDKAV-YMTOWFKASA-N 465.150 5.244 50 10 JKGE O=C(OCc1ccccc1)N1C[C@H](c2c(Cl)cccc2Cl)[C@@H](CI)C1 382691217 IKPFPXBMKGYAEE-GJZGRUSLSA-N 490.168 5.781 50 10 JKGE Fc1cc(Br)c([C@H](Cl)c2csc(I)c2)c(F)c1F 398726749 KYGKPQAXEMOLQX-SECBINFHSA-N 467.475 5.861 50 10 JKGE COCc1cc(Br)c([C@H](Br)c2ccc(Br)cc2F)s1 688142233 BUSNEVJYALDWNP-GFCCVEGCSA-N 472.999 6.043 50 10 JKGE Brc1cc([C@H](Br)c2occc2Br)c(Br)s1 696489335 DBKMZKSJROPRNL-ZETCQYMHSA-N 479.813 6.113 50 10 JKGE Fc1ccc(Br)cc1COc1c(F)cc(Br)cc1CBr 715827390 LHEOWCOAFHEJRK-UHFFFAOYSA-N 470.933 5.964 50 10 JKGE Fc1cc2c(cc1I)nc(CCCl)n2C1CC(OCc2ccccc2)C1 716154645 VUDHLLRKBGGAMO-UHFFFAOYSA-N 484.740 5.482 50 10 JKGE Fc1cc(Br)c([C@H](Cl)c2cccc(F)c2I)c(F)c1F 721720109 RTQVYKLCZDSGNV-SNVBAGLBSA-N 479.436 5.938 50 10 JKGE O=C(CNc1ccc(I)cc1)NN=Cc1c2ccccc2cc2ccccc12 1083924084 YGYRYLKAIZITPV-UHFFFAOYSA-N 479.321 5.160 50 10 JKGE CCOc1cc(/C=C(\C#N)c2ccc([N+](=O)[O-])cc2)cc(Cl)c1OCc1cccc2ccccc12 1084160152 LVCITTZCVCEGMS-OEAKJJBVSA-N 484.939 7.443 50 10 JKGE COc1cc(C=NNC(=O)c2ccccc2Br)ccc1OCc1ccccc1Cl 1084274118 CDZQGZGATPQYFE-UHFFFAOYSA-N 473.754 5.454 50 10 JKGE N#C/C(=C\c1cc(Br)ccc1OCc1ccccc1)C(=O)Nc1ccc(Cl)cc1 1084533691 ZPSZJEADQIRQQA-LDADJPATSA-N 467.750 6.227 50 10 JKGE COC(=O)Cn1cc(C=NNC(=O)c2ccc(-n3c(C)ccc3-c3ccccc3)cc2)c2ccccc21 1084621832 SIRGNVPNBARWTF-UHFFFAOYSA-N 490.563 5.344 50 10 JKGE CCOc1cc(/C=C(/C#N)C(=O)NCc2cccs2)ccc1OCc1ccccc1Cl 1084655892 BHROVBWISPIPRQ-UNOMPAQXSA-N 452.963 5.603 50 10 JKGE Cc1c(C(=O)N2c3ccc(F)cc3CC[C@@H]2C)oc2c1C(=NNC(=O)c1ccccc1)CCC2 1772745129 SVJBTDWHOOZXOT-INIZCTEOSA-N 459.521 5.179 50 10 JKGE Cc1c(C(=O)Nc2ccc(Oc3ccccc3)cc2)oc2c1C(=NNC(=O)c1ccncc1)CCC2 1772746114 QUKQEVHAEGMKMN-UHFFFAOYSA-N 480.524 5.498 50 10 JKGE Cc1cc(Cl)ccc1NC(=O)COc1cccnc1NC(=O)Nc1ccc(SC#N)cc1 1858826587 ZESPSPOMFOIDRG-UHFFFAOYSA-N 467.938 5.278 50 10 JKGE CN(C)c1ccc([C@@H]2C(C#N)=C(N)Oc3c2c(-c2ccccc2)nn3-c2ccccc2Cl)cc1 1865683356 JRBFMYOJFMRVHT-HSZRJFAPSA-N 467.960 5.477 50 10 JKGE CCCc1nn(Cc2c(F)cccc2Cl)c2c1[C@@H](c1ccc(Cl)cc1)C(C#N)=C(N)O2 1865684172 VJYYRQKIXOIZJB-FQEVSTJZSA-N 457.336 5.548 50 10 JKGE CCOc1ccc([C@H]2C(C#N)=C(N)Oc3c2c(CC)nn3Cc2cccc(Cl)c2)cc1OCC 1865688895 DLDUCVPSSBPYOB-QHCPKHFHSA-N 478.980 5.163 50 10 JKGE CCCCCOc1ccc([C@@H]2C(C#N)=C(N)Oc3c2c(CC)nn3Cc2ccccc2)cc1OCC 1865691642 XFCVRJXOECSINY-AREMUKBSSA-N 486.616 5.680 50 10 JKGE Cc1ccc(COc2ccc([C@H]3C(C#N)=C(N)Oc4c3c(C)nn4-c3ccccc3Cl)cc2)cc1 1865693110 LDYATGNHXXZCBA-SANMLTNESA-N 482.971 5.940 50 10 JKGE COc1ccc(-c2nn(Cc3ccccc3F)c3c2[C@@H](c2ccc(F)cc2F)C(C#N)=C(N)O3)cc1 1865702593 XNXATSOLMSDYFL-QHCPKHFHSA-N 488.469 5.242 50 10 JKGE CCn1nc(-c2ccccc2)c2c1OC(N)=C(C#N)[C@H]2c1ccc(OCc2ccccc2C)cc1 1865703418 VJYKNVZDIZQFSK-RUZDIDTESA-N 462.553 5.676 50 10 JKGE CCCn1nc(-c2ccccc2)c2c1OC(N)=C(C#N)[C@H]2c1ccc(OCc2ccccc2Cl)cc1 1865703538 AQBBXKYWUOJVIV-RUZDIDTESA-N 496.998 6.411 50 10 JKGE N#CC1=C(N)Oc2c(c(-c3ccccc3)nn2Cc2ccccc2Cl)[C@@H]1c1ccccc1C(=O)O 1865704074 MGSQONPHALGVLP-JOCHJYFZSA-N 482.927 5.168 50 10 JKGE CCCn1nc(C(F)(F)F)c2c1OC(N)=C(C#N)[C@H]2c1ccccc1OCc1ccc(Cl)cc1 1865704525 XXTBCXALUIUZSF-LJQANCHMSA-N 488.897 5.762 50 10 JKGE COc1ccc(-c2nn(-c3cccc(Cl)c3)c3c2[C@@H](c2ccc(OC)cc2)C(C#N)=C(N)O3)cc1 1865713333 WSCRFSXVTCLZQY-QHCPKHFHSA-N 484.943 5.428 50 10 JKGE CCN(CCC1(c2ccccc2)CCCCC1)C(=O)/C(C#N)=C/c1cccc(Br)c1 1866366392 DCXLWEBBVGUDJX-RELWKKBWSA-N 465.435 6.497 50 10 JKGE COc1cc2nc(/C(C#N)=C/c3cccc(OCc4ccc(C)cc4)c3)nc(O)c2cc1OC 1872727607 NLJAGTWXWHLIQA-RGVLZGJSSA-N 453.498 5.304 50 10 JKGE CCn1c(/C(C#N)=C/c2ccc(OCc3ccc(C(C)(C)C)cc3)c(OC)c2)nc2ccccc21 1872730923 LWFMSWYCFKUFJP-HAVVHWLPSA-N 465.597 7.005 50 10 JKGE CCc1cccc(CC)c1N1C[C@H](/C(O)=C(\C#N)c2nc(-c3cccc(OC)c3)cs2)CC1=O 1872744214 JBAMOAQGLPSWPE-NTKFOSSBSA-N 473.598 5.789 50 10 JKGE COc1c(Cl)ccc(Cl)c1/C(O)=C(\C#N)c1nc(-c2ccc3c(c2)OCCO3)cs1 1872750816 LLVZRMBANKPUES-UNOMPAQXSA-N 461.326 5.847 50 10 JKGE CCOc1ccc(-c2csc(/C(C#N)=C/c3ccc(OC(=O)c4ccccc4)cc3)n2)cc1 1872790683 YOHKUETYEGSYKA-CJLVFECKSA-N 452.535 6.492 50 10 JKGE CCOc1ccc(OCC)c(-c2csc(/C(C#N)=C/c3ccc(Cl)c([N+](=O)[O-])c3)n2)c1 1872792792 RBJOCPGKFHGYRQ-OQLLNIDSSA-N 455.923 6.233 50 10 JKGE Clc1cc([C@@H](Br)c2cc(Br)ccc2OCc2ccccc2)cs1 1899877364 QWGTYZLRCIPEJD-GOSISDBHSA-N 472.629 7.227 50 10 JKGE CC[C@@H]1C[C@H]1C[C@@H](Cl)c1c(Br)sc(Br)c1Br 1902788643 NJCIRFDPYLDDOT-DSYKOEDSSA-N 451.449 6.752 50 10 JKGE Clc1ccc(C[C@H](Br)c2c(Br)cccc2Br)nc1 1918224559 KHPNHWMNJOFRAD-LBPRGKRZSA-N 454.387 5.939 50 10 JKGE CC[C@H](CC(F)(F)F)[C@H](Br)c1sc(Br)cc1Br 1922896916 JIWMUURBEILNMT-XRGYYRRGSA-N 458.963 6.688 50 10 JKGE Brc1cc(Br)c([C@@H](Br)[C@H]2COc3ccccc32)s1 1922939271 HIXUFOWHFCALBK-UFBFGSQYSA-N 452.993 5.885 50 10 JKGE C[C@H](c1ccncc1Br)[C@@H](Br)c1ccc(Br)cc1Cl 1924037734 BNHPNEVUULEGEO-XLKFXECMSA-N 468.414 6.500 50 10 JKGE Clc1ccc(Br)cc1[C@@H](Br)Cc1ccncc1Br 1924052333 MDVGPBPPOVCLSE-NSHDSACASA-N 454.387 5.939 50 10 JKGE Fc1cc(Br)ccc1C[C@H](Br)c1c(Cl)sc(Cl)c1Cl 1925592864 GFXQXCOZHPUMHQ-ZETCQYMHSA-N 467.412 7.289 50 10 JKGE N[C@H](c1c(Br)c(Br)cc(Br)c1Br)[C@@H]1C[C@@H]1Cl 1995046712 IGARJQMDOIHGHY-UBVXDQCRSA-N 497.250 5.364 50 10 JKGE COCCC1([C@@H](Br)c2c(Br)sc(Br)c2Cl)CC1 1996217132 YETJKDLQLXERIM-QMMMGPOBSA-N 467.448 6.179 50 10 JKGE CC1(C)C[C@@H](N(Cc2ccccc2)c2c(CBr)ccc(Br)c2Cl)CO1 2036848046 JUXAFVNXBBUZPK-MRXNPFEDSA-N 487.663 6.572 50 10 JKGE CCc1cc(Br)c([C@H](Cl)c2cc(I)ccc2F)s1 2050462915 FEJNYTWESNONIV-GFCCVEGCSA-N 459.549 6.145 50 10 JKGE N#CC(=Cc1cccc(I)c1)c1nc2cc(C(F)(F)F)ccc2s1 2053496657 GEZGQXOLHNZMLV-UHFFFAOYSA-N 456.230 5.984 50 10 JKGE CC(C)c1ccc([C@@](C)(CI)OCCCOCc2ccccc2)cc1 2056734402 WQNUVACPNMJYDD-JOCHJYFZSA-N 452.376 6.084 50 10 JKGE CCCC[C@@H](C)CC[C@@H](Br)c1c(Br)sc(Br)c1Cl 2086055571 BKSOABMQRHICHC-RKDXNWHRSA-N 481.519 7.969 50 10 JKGE C[C@H](c1ccccn1)[C@@H](Br)c1ccc(Br)cc1I 2086149674 QPZVRXTZMVCCRV-YMTOWFKASA-N 480.969 5.688 50 10 JKGE C[C@]1(CBr)CC(F)(F)CN1Cc1c(Br)cccc1Br 2102794998 NLINZFFXOXCENF-GFCCVEGCSA-N 461.970 5.206 50 10 JKGE C[C@H]1CN(Cc2cc(Br)ccc2Br)CC[C@@H]1CCBr 2118519531 KZXKZIOWXOYWAR-RYUDHWBXSA-N 454.044 5.455 50 10 JKGE C[C@@H](N(Cc1ccccc1)S(=O)(=O)c1cc(CBr)ccc1Cl)C(C)(C)C 2123198833 JMMBUTBXEKRXKI-OAHLLOKOSA-N 458.849 5.860 50 10 JKGE COC[C@@H]1CC[C@@H](Cc2cc(Br)ccc2Br)C[C@H]1Br 2127214201 QGHKLTNFRKQHBN-ZIBATOQPSA-N 455.028 5.580 50 10 JKGE COc1ccc([C@@H](Br)c2cccc(I)c2)c(Cl)c1Cl 2138641533 JEVKXLZZHOTKHJ-LBPRGKRZSA-N 471.947 6.091 50 10 JKGE Cc1c(Br)ccc([C@@H](Br)C[C@H]2CCCOCC2)c1Br 2138859595 CCPSSAJYEVUXGC-FZMZJTMJSA-N 455.028 6.163 50 10 JKGE Fc1cc(Cl)c([C@@H](Cl)c2ccc(I)c(Br)c2)cc1Cl 2139411075 SBLJFNSNHMNMJE-ZDUSSCGKSA-N 494.356 6.828 50 10 JKGE Cc1c(F)ccc([C@@H](Br)c2ccc(Br)cc2I)c1C 2142280111 YZDFKAAXGODBNM-OAHLLOKOSA-N 497.971 6.294 50 10 JKGE C[C@@H]1Cc2cc([C@@H](Br)c3cc(Cl)sc3Cl)cc(Br)c2O1 2146628946 PXBOCWOQEBHUSK-SREIQFSDSA-N 457.014 6.625 50 10 JKGE Fc1ccc([C@@H](Br)c2cc(Br)c3c(c2)CCO3)c(Br)c1 2146630282 VVWUMAWUJOZJSL-AWEZNQCLSA-N 464.954 5.770 50 10 JKGE Brc1cccc(C[C@@H]2CCc3ccccc3[C@H]2Br)c1Br 2148755532 ZHKJDJINIAZAJI-BBRMVZONSA-N 459.019 6.453 50 10 JKGE O=[N+]([O-])c1ccc(C[C@@H](Br)c2cccc(Br)c2Br)cc1 2148762782 YLAIHQYUXYMELF-CYBMUJFWSA-N 463.951 5.799 50 10 JKGE Cc1cc(Br)c([C@@H](Br)C2(CC(F)(F)F)CCC2)cc1Br 2151976338 ZBCYAPACUAZWCZ-GFCCVEGCSA-N 478.972 7.079 50 10 JKGE C[C@H]1Cc2cc(Br)cc([C@H](Br)c3scc(Cl)c3Cl)c2O1 2152527177 AHMWFRBXQCMXEC-KGFZYKRKSA-N 457.014 6.625 50 10 JKGE CCCC(CBr)(CCC)CN=S1(=O)CCC(CNC(=O)OC(C)(C)C)CC1 2163057791 FDHUFIRIWKOHES-UHFFFAOYSA-N 467.514 5.371 50 10 JKGE Brc1cccc([C@H](Br)Cc2ccc3c(c2)CCO3)c1Br 2168660281 MBKSAUZIQAKRKM-CQSZACIVSA-N 460.991 5.825 50 10 JKGE F[C@]12CCC[C@@]1(CBr)CN(Cc1c(Br)cccc1Br)C2 2176634803 FRMYZOAMWRNKMW-CABCVRRESA-N 470.018 5.301 50 10 JKGE COC1(C(F)(F)F)CC([C@@H](Br)c2cc(Br)ccc2Br)C1 2182021899 LUIIHEXFVXJLSV-JBGOAQBUSA-N 480.944 6.005 50 10 JKGE C[C@@]12CC[C@@](COc3c(Br)cc(Br)cc3CBr)(CO1)C2 2196117912 NSOPUJZSONLAFT-LSDHHAIUSA-N 469.011 5.445 50 10 JKGE C[C@@H]1O[C@@]2(COc3c(Br)cc(Br)cc3CBr)CC[C@H]1C2 2198675711 ZFQCOPGLACJCRH-YHAQOWFVSA-N 469.011 5.443 50 10 JKGE Cc1cc(Br)c(C)c([C@H](Br)[C@H]2C[C@]23CCCOC3)c1Br 2201068078 DBPQVZLAJSQCKB-LYRGGWFBSA-N 467.039 6.081 50 10 JKGE Cc1cc(Br)c(C)c([C@H](Br)[C@H]2[C@@H]3[C@H]2CCC3(F)F)c1Br 2201076610 GAOYAQJFDWHGHP-PRAYIBQGSA-N 472.993 6.556 50 10 JKGE C[C@H](Br)CN(Cc1ccccc1)c1ncc(C(F)(F)F)cc1Br 2212716688 HAGNXSWOUVLLTQ-NSHDSACASA-N 452.112 5.653 50 10 JKGE C[C@@H](Cl)c1nc2cc(Br)c(Br)cc2n1CCN(C)Cc1ccccc1 2218655437 QSDQKGTXKMWUQT-CYBMUJFWSA-N 485.651 5.993 50 10 JKGE ClCCc1nc2cc(Br)c(Br)cc2n1[C@H]1CC[C@H]1OCc1ccccc1 2225695918 CRZYUAAQOJZQLI-PKOBYXMFSA-N 498.646 6.263 50 10 JKGE Cc1cc([C@@H](Br)c2sc(C)c(Br)c2C)cc(C)c1Br 2227421791 NXXBTBMLMQFRFA-CQSZACIVSA-N 467.064 6.991 50 10 JKGE COc1cc(Br)c([C@@H](Br)c2c(C)nsc2Br)cc1C 2227734881 OZLNOHBCSVULTA-GFCCVEGCSA-N 470.024 5.778 50 10 JKGE Cc1ccc([C@@H](Br)Cc2ccc(Br)cc2Cl)cc1Br 2229151609 NUNGOVAHIIKSFK-AWEZNQCLSA-N 467.426 6.852 50 10 JKGE Cc1cc(Br)c([C@H](Br)c2c(Br)cc(C)c(Cl)c2C)s1 2229317330 HNEFDVOPPGTSBE-GFCCVEGCSA-N 487.482 7.336 50 10 JKGE COc1c(C(C)C)cc(Br)cc1[C@@H](Br)c1sccc1Br 2233159600 MOKKNJDPQHWQGZ-CYBMUJFWSA-N 483.063 6.889 50 10 JKGE COc1ccc(Br)cc1[C@H](Cl)c1cc(Br)c(Br)cc1F 2233970475 QHYAZASLITZIII-CQSZACIVSA-N 487.388 6.450 50 10 JKGE COc1cc(Br)c([C@H](Br)c2sc(C)c(C)c2Br)cc1C 2237634537 ZPUIJKBPBRXIPD-AWEZNQCLSA-N 483.063 6.691 50 10 JKGE Fc1cc(Br)c(F)c(Br)c1[C@@H](Br)C1CC(F)(F)C1 2260001474 MURWDGARSXTALB-QMMMGPOBSA-N 454.881 5.971 50 10 JKGE Cc1csc([C@H](Br)Cc2cc(Br)cc(Br)c2)c1Cl 2263516980 KXLOHXDOGROEQO-LLVKDONJSA-N 473.455 6.914 50 10 JKGE Cc1nn(C)c(Br)c1[C@H](Br)c1cc2sc(Br)cc2s1 2278012345 PKZMQVMMYVOMEB-LLVKDONJSA-N 485.064 6.014 50 10 JKGE COc1c(Br)cc(C)cc1[C@@H](Cl)c1c(F)cccc1I 2282895746 BEXGLIAWSUPDIR-CQSZACIVSA-N 469.519 5.838 50 10 JKGE CCn1cc(Br)c([C@H](Cl)c2c(F)cc(Br)c(F)c2Br)n1 2288355298 FCZOYFDDSWLXPY-SNVBAGLBSA-N 493.371 5.797 50 10 JKGE Fc1cc(Br)c(F)c(Br)c1[C@@H](Br)[C@@H]1C[C@@H]2CC[C@H](C1)O2 2288485338 XPMUALUEIQBWLY-MEUQOTJWSA-N 474.965 5.883 50 10 JKGE Cc1ccc(NC(=O)C(C#N)=C2S[C@@H](Cc3ccc(F)cc3)C(=O)N2c2ccc(Cl)cc2)cc1 2293045946 YNYZFRDDVUFFGX-QHCPKHFHSA-N 491.975 5.853 50 10 JKGE COc1cc(C=C(C#N)C(=O)Nc2cccc(SC)c2)c([N+](=O)[O-])cc1OCc1ccccc1 2293299497 CRKDYSQVJRYGDN-UHFFFAOYSA-N 475.526 5.450 50 10 JKGE CCOc1ccc(-n2c(SCC(=O)NN=CC=Cc3ccccc3)nnc2-c2ccccc2)cc1 2293749578 QOVFFHFAHAMBLC-UHFFFAOYSA-N 483.597 5.241 50 10 JKGE COc1cc(C=C(C#N)S(=O)(=O)c2ccccc2)ccc1OC(=O)c1ccc(Cl)cc1Cl 2295727143 QPKXUMFMXFCAIA-UHFFFAOYSA-N 488.348 5.560 50 10 JKGE N#CC(=CNc1ccc(Cl)c(Cl)c1)c1nc(-c2ccc(Br)cc2)cs1 2297449104 WXZFVYJOMRGBRJ-UHFFFAOYSA-N 451.176 6.856 50 10 JKGE CC(C)(F)[C@@](C)(F)[C@H](Br)c1cc(Br)ccc1OCc1ccccc1 2299489076 MCUDFFVEQQJGLM-MJGOQNOKSA-N 462.172 6.940 50 10 JKGE FC1(F)[C@@H]([C@H](Br)c2ccc(OCc3ccccc3)cc2Br)C12CC2 2299507350 FMQIIZVKSLXGBE-SJORKVTESA-N 458.140 6.509 50 10 JKGE CC(C)(C)OC(=O)N1C[C@H](OCc2cc(F)c(Cl)cc2Cl)[C@H](I)C1 2306242651 BEBSOVJNVRHOSU-KGLIPLIRSA-N 490.140 5.072 50 10 JKGE N#CC(=Cc1ccc(Sc2nc3ccccc3[nH]2)o1)C(=O)Nc1cccc(Cl)c1Cl 2313571508 XYPAYIZBQICFMF-UHFFFAOYSA-N 455.326 6.160 50 10 JKGE Cc1ccc(C)c(NC(=O)C(C#N)=Cc2cc(Cl)ccc2OCc2ccccc2Cl)c1 2313637827 DDBSXMURAWFHNY-UHFFFAOYSA-N 451.353 6.735 50 10 JKGE Cc1ccc(NC(=O)C(C#N)=Cc2ccccc2OCc2ccc(Br)cc2)c(C)c1 2313667018 CBWMUHYMNYPRIZ-UHFFFAOYSA-N 461.359 6.191 50 10 JKGE Brc1cc(OCc2ccccc2)ccc1[C@@H](Br)CCC1CCCCC1 2314499709 GCJFOWRDAOIPDP-NRFANRHFSA-N 466.257 7.825 50 10 JKGE CCN1C(=O)C(=Cc2cn(-c3ccccc3)nc2-c2c(C)cc(C)cc2C)C(C)=C(C#N)C1=O 2314617603 JLLGJJRQGRWWRU-UHFFFAOYSA-N 450.542 5.077 50 10 JKGE CCCOc1ccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)C=Cc4ccc(Cl)cc4)ccc32)cc1 2314634142 QUTKIQNCCBNSIQ-MHZLTWQESA-N 486.955 5.966 50 10 JKGE CCCOc1ccccc1C=C(C#N)C(=O)Nc1sc2c(c1C(=O)OCC)CC[C@@H](C)C2 2314773905 ITSBGQCSIWEZIV-MRXNPFEDSA-N 452.576 5.384 50 10 JKGE Cc1cscc1[C@H](Br)c1c(Cl)cc(Br)c(F)c1Br 2315445309 KRNUZHRBRBUFPR-JTQLQIEISA-N 477.418 6.858 50 10 JKGE CCOc1cc(C(=O)Oc2ccc(C=C(C#N)c3ccccc3OC)cc2)cc(OCC)c1OCC 2320507335 PYFVRUJNKYJSAY-UHFFFAOYSA-N 487.552 6.175 50 10 JKGE N#CC(=Cc1cccc(OC(=O)C=Cc2ccc(OCc3ccccc3)cc2)c1)c1ccc(Cl)cc1 2320511135 KSSDALLTHRIOSP-UHFFFAOYSA-N 491.974 7.602 50 10 JKGE CC[C@@H](NC(=O)C(C#N)=CNCCc1ccccc1Br)c1ccc2c(c1)CCCC2 2325092791 MHVIZBQNFLNAPP-XMMPIXPASA-N 466.423 5.135 50 10 JKGE Cc1cc(Br)c([C@@H](Br)[C@H]2CC[C@@H]3[C@H]2C3(F)F)cc1Br 2329189238 YARXPGWOJVNNDG-DVYRYTRWSA-N 458.966 6.247 50 10 JKGE COc1cccc(C=C(C#N)c2ccccc2[N+](=O)[O-])c1OCc1ccc(Cl)c(Cl)c1 2331066282 VQFSFLNJRSDACL-UHFFFAOYSA-N 455.297 6.553 50 10 JKGE CCCCOc1ccc(C(O)=C(C#N)c2nc(-c3ccc(OC)c(OC)c3)cs2)cc1OCC 2331242819 NWQXEGZNIZCMHP-UHFFFAOYSA-N 480.586 6.355 50 10 JKGE CC[C@@H](C)N1C(=O)c2ccc(C(O)=C(C#N)c3nc(-c4cccc(Cl)c4)cs3)cc2C1=O 2331293921 SKDYSOIXORAPOX-CYBMUJFWSA-N 463.946 5.808 50 10 JKGE N#CC(=C(O)CCCCCN1C(=O)c2cccc([N+](=O)[O-])c2C1=O)c1nc(-c2cccs2)cs1 2331327495 MFPZBOSSAREAFC-UHFFFAOYSA-N 494.554 5.429 50 10 JKGE N#CC(=C(O)c1cc(C(F)(F)F)cc(C(F)(F)F)c1)c1nc(-c2ccc(F)cc2)cs1 2331344125 RSUZQBKGMFGFCT-UHFFFAOYSA-N 458.358 6.937 50 10 JKGE CCOc1ccc(OCC)c(-c2csc(C(C#N)=C(O)c3ccc(OC(C)=O)cc3)n2)c1 2331376819 ZQNQNBKWHWCEQO-UHFFFAOYSA-N 450.516 5.483 50 10 JKGE COc1cc(Cl)c(C)cc1-c1csc(C(C#N)=C(O)[C@H]2CC(=O)N([C@@H](C)c3ccccc3)C2)n1 2331390433 LCTMCTCGEITOHK-WMZOPIPTSA-N 494.016 6.183 50 10 JKGE COc1ccc(-c2csc(C(C#N)=Cc3ccc(OCc4ccc(Cl)cc4)cc3)n2)c(C)c1C 2331468227 MFOSZGCTAQQPKW-UHFFFAOYSA-N 487.024 7.732 50 10 JKGE COc1c(C)cc(Cl)cc1-c1csc(C(C#N)=Cc2cc3c(cc2[N+](=O)[O-])OCCO3)n1 2331477248 ARNVOYBRNHUCDJ-UHFFFAOYSA-N 469.906 5.524 50 10 JKGE CN(Cc1ccc(Cl)c(I)c1)[C@@H](CCBr)C(F)(F)F 2337219459 SRJBWSJILRIBJS-NSHDSACASA-N 470.498 5.092 50 10 JKGE Clc1ccc(C[C@@H]2C[C@H](Br)CC3(CCC3)C2)cc1I 2337274035 FITOPRXSTKRIFS-OLZOCXBDSA-N 453.589 6.221 50 10 JKGE COc1ccc(C[C@H](Br)c2cc(Br)sc2C)c(Br)c1 2338830446 BIMBCIZHDGZKJX-ZDUSSCGKSA-N 469.036 6.269 50 10 JKGE Cc1cc(Br)c(F)c(Br)c1[C@H](Br)[C@@H]1CCC[C@@H]2C[C@H]21 2339679971 QYQSBAPUVKCLRV-VWMGYNLJSA-N 455.003 6.531 50 10 JKGE Clc1ccc(CN2[C@H]3CCC[C@H]3C[C@@H]2CBr)c(I)c1 2341011367 SCXKTBOTTSIRQQ-ZBINZKHDSA-N 454.577 5.083 50 10 JKGE CCc1cc(Br)c(OC)c([C@@H](Br)c2ccc(Br)s2)c1 2353039350 GBUKEOHUJYIMID-CYBMUJFWSA-N 469.036 6.328 50 10 JKGE Fc1cc(Cl)c(Br)c(Cl)c1[C@H](Br)c1cc(Cl)cc(Cl)c1 2360427328 UAROLHBDVJVENA-LLVKDONJSA-N 481.801 7.686 50 10 JKGE CCCCCCCCCC[C@H](Br)c1ccc(OCc2ccccc2)cc1Br 2361168902 QBZBHVQUQTYBAA-QHCPKHFHSA-N 496.327 8.995 50 10 JKGE O=[N+]([O-])c1ccc([C@H](Br)c2c(Cl)cc(Br)c(F)c2Br)o1 2362229015 HHDCZMUUPSXSRJ-VIFPVBQESA-N 492.320 5.990 50 10 JKGE COC[C@]1([C@H](Cl)c2c(Cl)cc(Br)c(F)c2Br)CCCO1 2362237922 UBXXWAIBBWAXKS-OLZOCXBDSA-N 450.957 5.480 50 10 JKGE Cc1c(F)ccc([C@H](Br)c2cc3sc(Br)cc3s2)c1Cl 2363898390 UFXYHXFNBUEXNA-ZDUSSCGKSA-N 454.611 7.311 50 10 JKGE COc1ccc(C[C@H](Br)c2ccc(Cl)cc2I)cc1F 2365593431 UQIMMWBWNLRVSV-LBPRGKRZSA-N 469.519 5.771 50 10 JKGE Fc1cc(Cl)c([C@@H](Cl)c2cc(Br)c(Br)cc2F)c(Cl)c1 2366404916 JPGKEZNYQUDZIR-ZDUSSCGKSA-N 465.346 7.125 50 10 JKGE Clc1ccc(CN2CCC(CCCCBr)CC2)c(I)c1 2366723955 IVMMETIWYNVDJM-UHFFFAOYSA-N 470.620 5.722 50 10 JKGE COCc1cc(Br)c([C@@H](Br)c2cc(F)c(Cl)cc2Cl)s1 2379735141 OTOIENCMMVRHKR-LBPRGKRZSA-N 462.993 6.587 50 10 JKGE CC(C)[S@](=O)(=NC[C@@](C)(CBr)C(C)(C)C)[C@H]1CCN(C(=O)OC(C)(C)C)C1 2380159754 HTCWCJBNAYVNTF-PGXOYOEPSA-N 467.514 5.320 50 10 JKGE C[C@@H]1CCC[C@]12[C@@H](Br)C[C@H]2OCc1cc(I)ccc1Cl 2380346348 MEXILOGDWRQJLJ-CXOGBFNASA-N 469.588 5.803 50 10 JKGE Clc1ccc(I)cc1CN1C[C@@H](Br)CC12CCCCC2 2380530794 HIULSAAJLQEADO-ZDUSSCGKSA-N 468.604 5.617 50 10 JKGE CCc1ccc(N2C(N)=C(C#N)[C@@H](c3cc(C)sc3SC)C3=C2CC(C)(C)CC3=O)cc1 9982329 UUTYTKRLTKAOMS-JOCHJYFZSA-N 463.672 6.282 50 10 JKGE CC(C)(C)c1ccc(OCC(=O)N/N=C/c2cc(Cl)cc(Cl)c2O)c(Br)c1 12403426 SBLFWRDKQRVLQQ-NUGSKGIGSA-N 474.182 5.288 50 10 JKGE CCc1ccc(OCC(=O)N/N=C/c2c3ccccc3cc3ccccc23)c(Br)c1 13977553 KCWNUAPTEXUDBU-JFLMPSFJSA-N 461.359 5.847 50 10 JKGE Cc1cccn2c(=O)c(/C=C(/C#N)c3nc4ccccc4[nH]3)c(Oc3ccc(Br)cc3)nc12 33571502 JAUJSCHANPNZNI-SSZFMOIBSA-N 498.340 5.498 50 10 JKGE CCOc1cc(/C=C(/C#N)C(=O)Nc2ccc(O)cc2)ccc1OCc1ccc(Cl)c(Cl)c1 33910467 QOSIMUJGVXVDRI-WQRHYEAKSA-N 483.351 6.222 50 10 JKGE CC(C)(C)c1ccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)COc4ccccc4Cl)ccc32)cc1 38649770 DLZRGJBXSIDPLQ-SANMLTNESA-N 488.971 5.840 50 10 JKGE CCCOc1ccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)COc4ccc(Cl)cc4)ccc32)cc1 38650610 WKAJTGSUDIOSDO-SANMLTNESA-N 490.943 5.331 50 10 JKGE CCCCOc1cc(/C=C(\C#N)c2nc(-c3ccc(Br)cc3)cs2)ccc1OC 39885219 FVYUNWLXZGKIKZ-LDADJPATSA-N 469.404 6.824 50 10 JKGE CCCCCOc1cccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)COc4cccc(C)c4)ccc32)c1 40529985 XTPCPLKKJBKVMZ-LJAQVGFWSA-N 498.579 5.767 50 10 JKGE Cc1ccc(COc2ccc(/C=N/NC(=O)COc3ccc(C(C)(C)CC(C)(C)C)cc3)cc2)cc1 40911749 LJYPMMXQHYYMER-BIZUNTBRSA-N 486.656 6.817 50 10 JKGE Cc1ccc(-n2nc(C)c(/C=N/NC(=O)[C@@H](C)Oc3ccc(Cl)cc3Cl)c2C)c(C)c1 59167495 DCSJAPXHLRHRQL-BXNHQAKUSA-N 459.377 5.330 50 10 JKGE CCCCCCCCCCCCCCCCCCOC(=O)N[C@H]1CS(=O)(=O)C[C@@H]1Cl 59568231 LUNKVNFGCDYLKV-VXKWHMMOSA-N 466.128 6.379 50 10 JKGE Cc1c(/C=C(\C#N)C(=O)Nc2ccc3ccccc3c2)c2ccccc2n1Cc1ccc(Cl)cc1 96499288 MAZWBKFHTYZEAQ-JJIBRWJFSA-N 475.979 7.350 50 10 JKGE CCCOc1ccc(/C=C\C(=O)Oc2ccc(/C=C(\C#N)C(=O)NCc3ccccc3)cc2OC)cc1 98027923 FBFGPIDXCXPPET-YOTWYYFJSA-N 496.563 5.326 50 10 JKGE CCCCCCCCCCCCCCC[P+](c1ccccc1)(c1ccccc1)c1ccccc1 100026785 FVYPBBPVFANQQE-UHFFFAOYSA-N 473.705 9.072 50 10 JKGE in-vitro CCCCCCCCCCCCCC(=O)NNC(=O)COc1ccc(Cl)cc1Br 100443110 OSWJHONSZUAMJI-UHFFFAOYSA-N 489.882 6.330 50 10 JKGE CCOc1ccc(N2C(=O)[C@H](Cc3ccccc3C)S/C2=C(/C#N)C(=O)Nc2ccccc2)cc1 101244658 INMSMYOEPWRIRT-UZEPBSNMSA-N 483.593 5.459 50 10 JKGE Clc1ccc(Br)cc1[C@@H](Br)c1cc2c(cc1Cl)OCCO2 109867347 SSRQMGKLIYDHLG-OAHLLOKOSA-N 452.957 6.011 50 10 JKGE CC(C)Oc1cccc([C@H](Br)c2cc(Br)sc2Br)c1 109870183 WIOHCXOWGOABOV-ZDUSSCGKSA-N 469.036 6.545 50 10 JKGE Brc1cc([C@@H](Br)C23CC4CC(CC(C4)C2)C3)sc1Br 128294121 XXDSYZOLJZOAOB-FYVZZRRKSA-N 469.080 6.926 50 10 JKGE CCOc1cc(Cl)c([C@H](Br)c2ccc(Br)c(C)c2)cc1Cl 137920431 QXCSKPDCMRBPOO-MRXNPFEDSA-N 453.001 6.947 50 10 JKGE CC(=O)N(/N=C/c1ccc(Br)cc1)c1nc2ccc(Br)cc2s1 138957422 MOGMMQUAPHZVMB-DJKKODMXSA-N 453.159 5.208 50 10 JKGE Cc1cc([C@H](Br)c2cc(C(F)(F)F)ccc2Br)sc1Br 159845623 YZXKZPDZUFSBPP-LLVKDONJSA-N 492.980 7.085 50 10 JKGE COc1ccc(CCNC(=O)/C(C#N)=C\Nc2ccc(-c3nc4ccc(C)cc4s3)cc2)cc1 216924329 XRMIXRXIKKYKGY-FXBPSFAMSA-N 468.582 5.459 50 10 JKGE FC(F)(F)c1cc(Br)ccc1[C@H](Br)c1ccc(Br)cc1 229517885 JLTMJTUIJNEIMQ-CYBMUJFWSA-N 472.924 6.715 50 10 JKGE C[C@@H]1CCCC[C@@H]1NC(=O)[C@H](c1ccccc1Cl)N(CCc1ccccc1)C(=O)CCl 230275192 FNRXHCXFBLOJSR-OUOWLKGYSA-N 461.433 5.386 50 10 JKGE COc1ccc([C@@H](Br)c2cccc(Br)c2F)c(Br)c1 234982482 CPLBHAVMSQRSIY-CYBMUJFWSA-N 452.943 5.844 50 10 JKGE Fc1ccc([C@H](Br)c2ccc(Cl)c(Br)c2)cc1Br 236248839 DGRWKJCNCZVPTI-CYBMUJFWSA-N 457.362 6.488 50 10 JKGE COc1ccc(C=NNC(=O)C(C)(C)Oc2ccc(Cl)cc2)cc1COc1cc(C)cc(C)c1 252608879 HOPAQJIUKVBILW-UHFFFAOYSA-N 480.992 5.852 50 10 JKGE O=C(NN=c1oc2ccc3ccccc3c2cc1-c1nc2ccccc2[nH]1)c1ccc([N+](=O)[O-])cc1 254626618 IXHWPGRGFILSSE-UHFFFAOYSA-N 475.464 5.283 50 10 JKGE Cc1ccccc1C[C@@H](C(=O)NN=Cc1ccc(-c2ccc(Cl)c(Cl)c2)o1)c1ccccc1 263627132 PXBJTIURWYYXSH-HSZRJFAPSA-N 477.391 7.038 50 10 JKGE CCN(C[C@](C)(CI)OC[C@H]1CCC[C@H](C)C1)C(=O)OC(C)(C)C 304192646 VSMFJCFYMQTPHJ-BXWFABGCSA-N 453.405 5.280 50 10 JKGE CC1(C)CCC(COc2c(Br)cc(Br)cc2CBr)CC1 312706734 GUKIRPYZDZUPJZ-UHFFFAOYSA-N 469.055 6.702 50 10 JKGE O=C(Nc1cccc(CCBr)c1)c1cc(Br)ccc1Br 313185108 ZNHFYZDJYAGNGG-UHFFFAOYSA-N 461.979 5.401 50 10 JKGE Cc1ccc2c(c1)nc(CCl)n2-c1ccc(I)cc1Br 380220166 JDMPLDBCVMLGSA-UHFFFAOYSA-N 461.528 5.440 50 10 JKGE Fc1ccc(Br)cc1[C@@H]1CN(Cc2ccccc2)C[C@H]1CI 382695317 UJRXKMQRYSZGOA-RHSMWYFYSA-N 474.155 5.239 50 10 JKGE O=C(OCc1ccccc1)N1C[C@H](CI)[C@H](c2ccc(Cl)c(Cl)c2)C1 382706474 FPPGIKWNYBNZPK-HOTGVXAUSA-N 490.168 5.781 50 10 JKGE C[C@@H]1CN(Cc2ccccc2)C[C@H]1n1c(CCCl)nc2cc(I)c(F)cc21 389874383 SEHRQXSLPZAYAF-JLTOFOAXSA-N 497.783 5.254 50 10 JKGE Cc1cc2c(cc1F)nc(CCCl)n2CCCN(Cc1ccccc1)Cc1ccccc1 390511496 AQLREMDOQRCLSI-UHFFFAOYSA-N 450.001 6.358 50 10 JKGE C[C@H](Cl)c1nc2cc(I)c(F)cc2n1C[C@@H]1CCCN1Cc1ccccc1 390610820 FBOAVLXBJOJJFE-HOCLYGCPSA-N 497.783 5.744 50 10 JKGE Cl[C@H](c1csc(I)c1)c1cc(Br)c2c(c1)CCCO2 689597388 RKOOMHWYACEFFQ-ZDUSSCGKSA-N 469.569 5.768 50 10 JKGE COc1ccc(/C=C(/C#N)C(=O)Nc2cccc(Cl)c2Cl)cc1OCc1ccc(Cl)cc1 1083953736 BQFOBGLDDFRNKU-BOPFTXTBSA-N 487.770 6.780 50 10 JKGE Cc1cccc(-n2c(C)c(Br)c(C=NNC(=O)[C@@H](C)Sc3ccccc3)c2C)c1 1084222430 RWBBTLIMUKFWSD-GOSISDBHSA-N 470.436 5.796 50 10 JKGE COc1ccc(COC(=O)NN=C2C(=O)N(C(c3ccccc3)c3ccccc3)c3ccccc32)cc1 1084344488 QZYZDBUJGLUWIL-UHFFFAOYSA-N 491.547 5.462 50 10 JKGE O=C(NN=Cc1ccccc1OCc1cccc2ccccc12)c1cc2cc(Br)ccc2o1 1084425131 RAHIZIVNWVNNCT-UHFFFAOYSA-N 499.364 6.691 50 10 JKGE CC(=NNC(=O)c1cc2ccccc2cc1O)c1ccc2c(c1)[C@@H]1C=CC[C@H]1[C@@H](c1ccccc1)N2 1565518737 TVKWLAPEUOAAHY-OYPUMOIUSA-N 473.576 6.526 50 10 JKGE COc1ccc(/C(C#N)=C/c2ccc(OC(=O)c3ccccc3Br)cc2)cc1OC 1615099327 DGKUEEAOCDTSIG-QGOAFFKASA-N 464.315 5.750 50 10 JKGE Cc1cc(C)c2c(CC(=O)NN=C3CCCc4oc(C(=O)Nc5ccc(C)c(C)c5)c(C)c43)coc2c1 1772751542 FPLLDCXZNZICPH-UHFFFAOYSA-N 497.595 6.220 50 10 JKGE COc1cc(C=NNC(=O)COc2ccc(C(C)C)c(C)c2)ccc1OCCc1ccccc1 1772753784 ISXLBVXYKSAZBA-UHFFFAOYSA-N 460.574 5.278 50 10 JKGE COc1cc(C=NNC(=O)COc2ccc(Cl)cc2Cl)ccc1OCc1ccccc1C 1772754045 NXRRVGSNXFNFHY-UHFFFAOYSA-N 473.356 5.419 50 10 JKGE C[C@@H](Oc1cccnc1NC(=O)Nc1ccc(SC#N)cc1)C(=O)Nc1ccccc1Cl 1858846775 UTQQFVKUNBTQGO-CQSZACIVSA-N 467.938 5.358 50 10 JKGE COc1ccc(-c2nn(-c3ccc(OC)cc3)c3c2[C@H](c2cccc(Cl)c2)C(C#N)=C(N)O3)cc1 1865683906 QDAYZUAEXZMBCZ-HSZRJFAPSA-N 484.943 5.428 50 10 JKGE CCCOc1ccc([C@H]2C(C#N)=C(N)Oc3c2c(CCC)nn3-c2cccc3ccccc23)cc1 1865693666 LOFPZDLKJNOIPM-SANMLTNESA-N 464.569 5.985 50 10 JKGE CCCCOc1ccc([C@@H]2C(C#N)=C(N)Oc3c2c(C(F)(F)F)nn3-c2ccccc2)cc1OC 1865696809 LBVYMWVYTWISGH-HXUWFJFHSA-N 484.478 5.297 50 10 JKGE CCOC(=O)c1c(-c2ccc(C(C)C)cc2)csc1NC(=O)/C(C#N)=C/c1cccc(Cl)c1 1866129920 SDLNFMQFDLAFAY-UDWIEESQSA-N 479.001 6.914 50 10 JKGE C[C@@H]1c2[nH]cnc2CCN1c1cc(Nc2ccc(SC#N)cc2)nc(-c2ccc(F)cc2)n1 1868455811 CJGQSXQTSLNGAJ-OAHLLOKOSA-N 457.538 5.446 50 10 JKGE Cc1ccc(C(C)(C)C)cc1-c1csc(/C(C#N)=C(O)/C=C/c2ccc(Cl)c(Cl)c2)n1 1872755887 KUALQUXEAODVOV-HYKFUTAESA-N 469.437 8.229 50 10 JKGE Cc1ccccc1COc1ccc(/C=C(\C#N)c2nc(-c3c(C)c(C)cc(C)c3C)cs2)cc1 1872792816 SDTUDHAIBAFOLT-CVKSISIWSA-N 464.634 7.995 50 10 JKGE COc1cc(/C=C(\C#N)c2nc(-c3ccc(F)c(F)c3)cs2)ccc1OCCCc1ccccc1 1872793130 JHSXYERTOBESNY-HYARGMPZSA-N 488.559 7.173 50 10 JKGE CCOc1cc(/C=C(\C#N)c2nc(-c3ccc(F)c(F)c3)cs2)cc(Br)c1O 1872793187 MKYPXOJNLVLYMI-WLRTZDKTSA-N 463.303 6.019 50 10 JKGE CCCOc1ccc(/C=C(\C#N)c2nc(-c3cc(Cl)ccc3OC)cs2)cc1OCC 1872795087 MQFGQEXWQGEOKL-GZTJUZNOSA-N 454.979 6.724 50 10 JKGE CCOc1ccc(CC/C(O)=C(\C#N)c2nc(-c3ccc(-c4ccccc4)cc3)cs2)cc1OC 1873941090 VYFQYLOMDYDLQV-LCUIJRPUSA-N 482.605 7.310 50 10 JKGE BrCc1cc(Br)c(OCC23CCC(CC2)O3)c(Br)c1 1876583430 ZFWWGZLALGVCFS-UHFFFAOYSA-N 454.984 5.197 50 10 JKGE Cc1nn(C)c([C@@H](Br)c2cc(C3CC3)c(Br)s2)c1Br 1877179216 CFTWSLJUCQOMGW-NSHDSACASA-N 469.040 5.677 50 10 JKGE FC1(F)CC[C@H](Br)[C@@H](Cc2ccc(Br)cc2Br)CC1 1881848557 DPQUKXUHMXHKCN-PWSUYJOCSA-N 460.982 6.343 50 10 JKGE O=C(c1ccc(C(F)(F)F)c(Cl)c1)N(Cc1ccccc1)[C@@H](CBr)C1CC1 1915264638 SDVYNPRHNAPIOT-SFHVURJKSA-N 460.721 6.175 50 10 JKGE CC(C)[C@@H](CBr)N(Cc1ccccc1)C(=O)c1c(Cl)cccc1C(F)(F)F 1915280656 MVRIQEDUZYMMGJ-QGZVFWFLSA-N 462.737 6.421 50 10 JKGE Brc1sc(Br)c([C@H](Br)C2C[C@@H]3C[C@H]3C2)c1Br 1924576385 NLXGUWONWRMNAU-ZVQZEWSASA-N 493.884 6.518 50 10 JKGE Clc1sc(Cl)c([C@@H](Cl)c2cc(Br)ccc2Br)c1Cl 1925590427 XWVUNANLCXLFEK-QMMMGPOBSA-N 469.840 7.562 50 10 JKGE O=C(N[C@H](CBr)CC1CCCCC1)c1csc(Br)c1Br 1926725711 XWSOCVQNTJIMAD-JTQLQIEISA-N 488.083 5.737 50 10 JKGE Fc1cc(Cl)c(Br)cc1[C@@H](Br)c1csc(Br)c1 1948499682 WILMXBCEMBCOMA-NSHDSACASA-N 463.391 6.550 50 10 JKGE CC(C)(CC(F)(F)F)[C@H](Br)c1cc(Br)ccc1Br 2028616135 DDDRNEJIAQKAFD-SNVBAGLBSA-N 452.934 6.626 50 10 JKGE CN(CCN(Cc1ccccc1)S(=O)(=O)c1cc(F)c(Cl)c(CCl)c1)Cc1ccccc1 2034752091 QLSQNUHSWJBUMR-UHFFFAOYSA-N 495.447 5.541 50 10 JKGE CN(C[C@H]1C[C@@H](Br)C1)C(=O)c1cc(Br)cc(NC(=O)OC(C)(C)C)c1 2076217472 VFOCYAJNROARGB-BJHJDKERSA-N 476.209 5.042 50 10 JKGE Cc1c(Br)sc([C@H](Br)[C@@H]2C[C@@]23CCCOC3)c1Br 2077422490 IABGZYSHQBPMMG-IYYTYJHQSA-N 459.041 5.834 50 10 JKGE Cc1cc(Br)cc([C@@H](Cl)c2ccc(Br)cc2Br)c1 2083321101 NYEJOEHZFKNNBL-CQSZACIVSA-N 453.399 6.611 50 10 JKGE Fc1ccc([C@H](Br)c2cc(C3CC3)c(Br)s2)cc1Br 2094674058 QULASSAPZODXRY-ZDUSSCGKSA-N 469.011 6.774 50 10 JKGE Cc1ncsc1CC(CBr)(CBr)c1ccc(Br)cc1 2096119829 MPBUISWZYUHYTO-UHFFFAOYSA-N 468.052 5.484 50 10 JKGE Brc1ccc(Br)c(CN2C[C@@H]3CC[C@H](Br)C[C@H]3C2)c1 2118520465 VHLJFRZYDOTQDC-GVXVVHGQSA-N 452.028 5.207 50 10 JKGE COc1cc(CBr)cc(Br)c1OCc1cnsc1Br 2119237627 UZEPKYASQBPHCV-UHFFFAOYSA-N 471.996 5.151 50 10 JKGE CC(C)[C@@H](Cl)c1cn(-c2cc(Br)c(Br)c(Br)c2)nn1 2121064891 VQMXUOMXRZHUBL-GFCCVEGCSA-N 472.406 5.491 50 10 JKGE Cc1cc(Br)c([C@@H](Br)[C@H]2CCCOC2(C)C)cc1Br 2130462218 ROKTWIAKRSSCRT-BXUZGUMPSA-N 455.028 6.161 50 10 JKGE CC[C@@H]1CC[C@@H]([C@H](Br)c2c(C)c(Br)cc(C)c2Br)O1 2136712679 MYWJTJQTRAZZMR-GMXABZIVSA-N 455.028 6.222 50 10 JKGE Cc1cc(Cl)c(Br)cc1[C@@H](Br)c1ccc(Br)cc1F 2137644420 XTHDFTRQZYVCIR-AWEZNQCLSA-N 471.389 6.797 50 10 JKGE Cc1ccc(F)c([C@H](Br)c2ccc(Br)cc2Br)c1F 2138850122 GPEONWJEQGMFIN-CYBMUJFWSA-N 454.934 6.283 50 10 JKGE Cc1c(Br)ccc([C@H](Br)C[C@@H]2CCC[C@H]3C[C@@H]32)c1Br 2138852040 MFUKLLSXEWCDHY-TZQJONAQSA-N 451.040 6.782 50 10 JKGE CO[C@@H]1CCC[C@@H]([C@@H](Br)c2ccc(Br)c(C)c2Br)C1 2138855522 XJAHKGKMSFOSOR-UEKVPHQBSA-N 455.028 6.161 50 10 JKGE Cc1ccc(Br)cc1[C@H](Cl)c1ccc(Br)c(C)c1Br 2138867973 ZFGLOYWMCNWLNH-OAHLLOKOSA-N 467.426 6.919 50 10 JKGE COc1c(C)cc(Br)cc1[C@H](Br)c1cccc(I)c1 2141661400 ROSAMQXLDDDWJP-CQSZACIVSA-N 495.980 5.855 50 10 JKGE Brc1cccc(C[C@@H]2CCc3ccccc3[C@@H]2Br)c1Br 2148755535 ZHKJDJINIAZAJI-XJKSGUPXSA-N 459.019 6.453 50 10 JKGE CC(C)CO[C@@H]1[C@@H](Cl)C[C@@H]1Oc1c(Br)cc(Br)cc1Br 2165550680 CLDQKSNEHGLCKJ-SGMGOOAPSA-N 491.445 5.774 50 10 JKGE COc1ccc(O[C@@H]2C[C@H](Br)[C@]23CCC[C@@H]3C)cc1I 2173617215 ZOOOASHOPIEYFN-MZORAGNBSA-N 451.142 5.021 50 10 JKGE FC(F)(F)CC1([C@H](Br)c2cc(I)cc3c2OCC3)CC1 2176725115 VKFYNXQUOFKURJ-GFCCVEGCSA-N 461.059 5.395 50 10 JKGE CCCn1cc(S(=O)(=O)N(Cc2ccccc2)[C@H](C)C(C)(C)C)cc1CBr 2179858565 PXBYCUOKZBVZEN-QGZVFWFLSA-N 455.462 5.419 50 10 JKGE CC(C)[S@@](=O)(=NCC1(CBr)CCCCC1)[C@H]1CCN(C(=O)OC(C)(C)C)C1 2183213955 ABXMYXFFKZBAFN-SOKVYYICSA-N 465.498 5.218 50 10 JKGE CC(C)(C)OC(=O)N1CCN(CC2(CBr)CCCCCC2)[C@H](CC(F)F)C1 2183406528 CUMUFOXUXYIHIZ-MRXNPFEDSA-N 453.412 5.298 50 10 JKGE CC1(C)CCC[C@H](CO[C@@H](CI)c2cccc(Br)c2)O1 2185557690 YUMFUDGAWKHCHL-CABCVRRESA-N 453.158 5.290 50 10 JKGE CC(C)CNCc1cc(Br)c(OC[C@H]2C[C@H]2Br)c(Br)c1 2196908241 WMIOKINPFZAAPU-VXGBXAGGSA-N 470.043 5.119 50 10 JKGE Fc1cc(Br)c([C@H](Br)c2ccc(Cl)cc2Cl)c(F)c1Cl 2201617000 CNFFYYXHZKZFRJ-LLVKDONJSA-N 465.346 7.172 50 10 JKGE Fc1cc(Br)cc([C@@H](Br)c2c(Br)cc(F)c(Cl)c2F)c1 2201619557 ROWHXZVVBUPTGA-LLVKDONJSA-N 493.342 6.767 50 10 JKGE Cc1sc([C@H](Br)[C@H](C)c2ccncc2Br)c(Br)c1C 2229320616 WGMVMJJWXLWFIC-AMIZOPFISA-N 468.052 6.525 50 10 JKGE Clc1cc(Br)c([C@H](Br)C[C@@H]2CCC[C@H]3C[C@@H]32)c(Cl)c1Cl 2232512641 OFJCRQKUVKYVMQ-AATLWQCWSA-N 461.452 7.672 50 10 JKGE CCOCc1cc(Br)c([C@H](Br)c2cc(F)cc(Br)c2)s1 2233017784 CIULCSHJMDMQCY-CYBMUJFWSA-N 487.026 6.433 50 10 JKGE Fc1cc(Br)c(Br)cc1[C@H](Br)c1ccc(C(F)F)cc1 2233975944 MLFFUHJDCKFEHI-CYBMUJFWSA-N 472.924 6.773 50 10 JKGE Clc1ccc([C@H](Br)c2ccc(Br)cc2)cc1I 2248216415 SKLYJOVFMLDTHI-CYBMUJFWSA-N 486.372 6.191 50 10 JKGE Cc1csc([C@H](Br)c2cc3sc(Br)cc3s2)c1Br 2263568232 NOXDENPZQNFRSS-LLVKDONJSA-N 487.101 7.342 50 10 JKGE Brc1cc2sc([C@@H](Br)c3ccc(OCc4ccccc4)cc3)cc2s1 2263630098 IXKCCXXODLJSTK-FQEVSTJZSA-N 494.273 7.789 50 10 JKGE COc1c([C@H](Br)c2ccc(Br)s2)cc(Br)c(C)c1C 2269161145 BLUBFBGZCRHANA-ZDUSSCGKSA-N 469.036 6.383 50 10 JKGE COc1ccc([C@H](Cl)c2ccc(I)c(C)c2)cc1I 2269549918 HEQCRHPZTHXCEE-OAHLLOKOSA-N 498.529 5.541 50 10 JKGE Fc1ccc([C@@H](Br)c2cc(Br)c(F)cc2Cl)cc1Br 2270432155 OOVVERYVIZIIEE-CYBMUJFWSA-N 475.352 6.628 50 10 JKGE CO[C@@H]1C[C@]2([C@@H](Br)c3c(F)cc(Br)c(F)c3Br)C[C@H]12 2272720990 CHYUMLDRNFFZJR-BXPKGIBSSA-N 460.938 5.351 50 10 JKGE Brc1cc(Br)cc(C[C@H](Br)[C@@H]2CC[C@H]3C[C@H]2CO3)c1 2277948316 LOEKTMMKDQRQTK-HPEDKQMDSA-N 453.012 5.333 50 10 JKGE COCc1cc(Br)c([C@@H](Br)c2cc(F)c(Br)cc2F)s1 2282136568 UDHQEBRUTCCLBJ-LBPRGKRZSA-N 490.989 6.182 50 10 JKGE Cc1cc(Br)c(C)c([C@H](Br)[C@@H]2CCC[C@@H]2C(F)F)c1Br 2285649690 HARHHLCMRLRDHW-ISTVAULSSA-N 475.009 6.946 50 10 JKGE COc1ccc([C@H](Br)c2c(F)cc(Br)c(F)c2Br)cc1 2288373257 HCBMJCXQJMNNBR-LBPRGKRZSA-N 470.933 5.983 50 10 JKGE CS(=O)(=O)c1cscc1[C@H](Br)c1cc(Cl)c(Br)cc1F 2288500703 KBUCSOKIBDTBRS-GFCCVEGCSA-N 462.587 5.191 50 10 JKGE Fc1cccc(Br)c1C[C@H](CBr)Cc1cccc(Br)c1 2289527493 ISSXKJMMVJFMQE-GFCCVEGCSA-N 464.998 6.147 50 10 JKGE COc1cc(Cl)c([C@H](Br)c2ccc(I)cc2)c(OC)c1 2294918796 UKZWLOVLQBWISA-OAHLLOKOSA-N 467.528 5.446 50 10 JKGE CC(C)(C)c1ccc(Oc2nc3ccccn3c(=O)c2C=C(C#N)C(=O)NCCc2ccccc2)cc1 2296541900 GJKCEYSXFIIFLC-UHFFFAOYSA-N 492.579 5.050 50 10 JKGE Cc1cc(-c2nn(-c3ccccc3)cc2C=C(C#N)c2nc3ccccc3n2C)cc2c1O[C@@H](C)C2 2297498388 NFHGQXGZDPYELG-FQEVSTJZSA-N 471.564 6.122 50 10 JKGE CCCCCCCCCCCCCCCCn1ccc(=NC=C(C#N)C(=O)C(=O)OCC)cc1 2297710784 YQZNBGCJENGQFP-UHFFFAOYSA-N 469.670 6.410 50 10 JKGE CC[C@@](C)(C(F)F)[C@H](Br)c1c(Br)sc(Br)c1Cl 2299838902 QGNNPNXTUSMUCK-LHLIQPBNSA-N 475.418 7.044 50 10 JKGE Cc1ccc(C)c(NC(=O)C(C#N)=Cc2ccc(-c3ccc([N+](=O)[O-])cc3Br)o2)c1 2313511255 WLQWJFKRORHQQI-UHFFFAOYSA-N 466.291 5.780 50 10 JKGE CC(C)(CC(F)(F)F)[C@H](Br)c1ccc(OCc2ccccc2)cc1Br 2314455686 QQSMQEXKAPYBGR-QGZVFWFLSA-N 480.162 7.443 50 10 JKGE N#CC(=Cc1cn(-c2ccccc2)nc1-c1ccccc1)C(=O)Nc1ccc(Cl)c(C(F)(F)F)c1 2314489613 SFOXFZGTOGGVEG-UHFFFAOYSA-N 492.888 6.757 50 10 JKGE N#CC(=Cc1c(Oc2ccc(F)cc2)nc2ccccn2c1=O)C(=O)Nc1cccc(Cl)c1Cl 2314532555 KZLYGFDXUKFHIE-UHFFFAOYSA-N 495.297 5.478 50 10 JKGE COc1ccc(C=CC(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@H]3c2cccc(Cl)c2)cc1 2314634050 GPDXMFPVDMDQPS-VWLOTQADSA-N 458.901 5.186 50 10 JKGE CCCOc1ccccc1C=C(C#N)C(=O)Nc1sc(C)c(-c2ccc(F)cc2)c1C(=O)OC 2314796093 XRKWPHGEANMZSH-UHFFFAOYSA-N 478.545 5.984 50 10 JKGE Cc1c(Cl)sc(Cl)c1[C@@H](Cl)c1ccc(Cl)cc1I 2317773792 NASRCWWORSTUSQ-JTQLQIEISA-N 451.971 6.950 50 10 JKGE C[C@@H](NC(=O)C(C#N)=CNc1ccc(Cl)cc1C(F)(F)F)C12CC3CC(CC(C3)C1)C2 2324904408 AJVPNLMMDWZYFA-ZHHULCEESA-N 451.920 5.899 50 10 JKGE COc1cc(NC=C(C#N)C(=O)Nc2ccccc2Sc2ccccc2)c(OC)cc1Cl 2325339411 ANQVNAAGVWIWHU-UHFFFAOYSA-N 465.962 5.966 50 10 JKGE N#CC(=CNCc1ccc(Br)cc1)C(=O)Nc1ccccc1Sc1ccccc1 2325339668 HBPPWQWHNZGXAR-UHFFFAOYSA-N 464.388 5.736 50 10 JKGE COc1ccc(-c2csc(C(C#N)=C(O)C=Cc3cc(OC)c(OC)c(OC)c3)n2)cc1C 2331259406 ZKTZBUVAVKOPBF-UHFFFAOYSA-N 464.543 5.659 50 10 JKGE C[C@H](Oc1ccc(Cl)cc1)C(O)=C(C#N)c1nc(-c2ccc(Br)cc2)cs1 2331260443 JLDXOQLTIIBZSX-LBPRGKRZSA-N 461.768 6.486 50 10 JKGE CCc1cccc(C)c1N1C[C@H](C(O)=C(C#N)c2nc(-c3ccc([N+](=O)[O-])cc3)cs2)CC1=O 2331281211 UEQFSYMUPOFLSV-GOSISDBHSA-N 474.542 5.435 50 10 JKGE COc1cc(C(O)=C(C#N)c2nc(-c3ccccc3)cs2)c(Br)c(OC)c1OC 2331300965 FWONIVIMBBHDKW-UHFFFAOYSA-N 473.348 5.548 50 10 JKGE COc1ccc(OC)c(-c2csc(C(C#N)=C(O)c3ccccc3C(=O)c3ccccc3)n2)c1 2331325211 XIJGUPQRVSQLJE-UHFFFAOYSA-N 468.534 6.008 50 10 JKGE CCCCCOc1ccc(C=C(C#N)c2nc(-c3ccc(C(C)(C)C)cc3)cs2)cc1OCC 2331453361 KGVJZCQJVPZLRU-UHFFFAOYSA-N 474.670 8.139 50 10 JKGE Cc1cc(Br)c([C@@H](Br)[C@@H]2C[C@@H]3C[C@@H]3CO2)c(C)c1Br 2333709316 ZXLPMOWGDKYTCH-HOZXKAFVSA-N 453.012 5.689 50 10 JKGE Fc1c(Br)cc(Cl)c([C@H](Br)[C@H]2C(F)(F)C23CC3)c1Br 2337083682 COUSNKMHIYZCRM-WCBMZHEXSA-N 483.347 6.485 50 10 JKGE CC[C@@]1([C@@H](Br)c2c(C)cc(Br)c(F)c2Br)CC1(F)F 2339653835 NIOHNUGLPXBXHM-RYUDHWBXSA-N 464.945 6.531 50 10 JKGE COc1ccc([C@H](Cl)c2ccc(Cl)cc2I)c(Br)c1 2340064565 QRDZVLNPHYKZDT-AWEZNQCLSA-N 471.947 6.044 50 10 JKGE Cc1scc([C@@H](Br)c2c(F)cc(F)c(Br)c2F)c1Br 2343562121 CLNVVEMJOQFSSW-SNVBAGLBSA-N 478.953 6.483 50 10 JKGE CC1(C)C[C@H](Cl)C[C@H](NCc2ccc(I)c(Br)c2)C1 2349826587 GYHGCRWPTYTNHI-NEPJUHHUSA-N 456.593 5.329 50 10 JKGE Cc1c(Br)sc([C@H](Cl)c2cc(F)c(Cl)cc2Cl)c1Br 2351640919 GMSLYLXNYJDUDH-SNVBAGLBSA-N 467.412 7.356 50 10 JKGE Fc1cc(Br)c(F)c(Br)c1[C@@H](Br)[C@@]12CCCC[C@@H]1CC2 2359782656 KUFSXBNTJLBKEV-KBOAJJQZSA-N 472.993 6.896 50 10 JKGE Fc1c(Br)cc(Cl)c([C@@H](Br)[C@@H]2CC23CC(F)(F)C3)c1Br 2362232423 OESGWJJXOZVKEV-CDUCUWFYSA-N 497.374 6.876 50 10 JKGE FC(F)(F)[C@]12C[C@]([C@H](Cl)c3c(Br)sc(Br)c3Cl)(CO1)C2 2363843077 DTYBZYASOBSRAA-BDODKLCJSA-N 474.951 6.318 50 10 JKGE COc1c(Br)cc(C)c([C@@H](Br)[C@H]2CC3(CC3)CO2)c1Br 2365193855 LKIPYGZXPPCJCO-PWSUYJOCSA-N 469.011 5.534 50 10 JKGE COc1c(Br)cc(C)cc1C[C@H](Br)c1ccccc1Br 2365238170 NJMDINCCOABWEP-AWEZNQCLSA-N 463.007 6.207 50 10 JKGE CC(C)(F)[C@@](C)(F)CO[C@@](C)(CI)c1ccccc1Br 2381513876 BPBFWUHXVHCKQM-GJZGRUSLSA-N 461.128 5.592 50 10 JKGE N#CC1=C(N)Oc2[nH]nc(-c3ccc(-c4ccccc4)cc3)c2[C@H]1c1cccc(C(F)(F)F)c1 622771 BGLNYKNXTBARPX-NRFANRHFSA-N 458.443 5.981 50 10 JKGE O=C(CCCOc1ccc(Cl)cc1Cl)N/N=C/c1ccc(OCc2ccccc2)cc1 12577671 MMWAQEMJMGPCTJ-JVWAILMASA-N 457.357 5.882 50 10 JKGE CCCOc1ccc(C(=O)NNC(=O)c2sc3ccccc3c2Cl)cc1Br 14647282 WTXGXLQYCAJGFD-UHFFFAOYSA-N 467.772 5.181 50 10 JKGE CCCc1nn(-c2ccccc2)c2c1[C@@H](c1c(Cl)cccc1Br)C(C#N)=C(N)O2 16754079 LPIGPTKUWABGRA-GOSISDBHSA-N 469.770 5.459 50 10 JKGE Cc1ccc(N2C(=O)[C@@H](Cc3ccccc3Cl)S/C2=C(/C#N)C(=O)Nc2ccc(F)cc2)cc1 33752673 NMDMTJDDMPTDPX-GFPZRUSRSA-N 491.975 5.853 50 10 JKGE N#C/C(=C/c1ccc(I)o1)c1nc(-c2cc3ccccc3oc2=O)cs1 34706410 YPVGRYJPWQKVQM-GHXNOFRVSA-N 472.263 5.178 50 10 JKGE CN(C)c1ccc(NC(=O)C(C)(C)CCl)cc1CN(Cc1ccco1)C(=O)c1cccs1 34921545 BVQWXTIVQVKXAZ-UHFFFAOYSA-N 474.026 5.453 50 10 JKGE C[C@H](Oc1ccccc1F)C(=O)Oc1ccc2c(c1)OC(N)=C(C#N)[C@@H]2c1ccc(Cl)cc1Cl 38655420 FRVFKMUPPWPQEO-ZAMGYDSWSA-N 499.325 5.724 50 10 JKGE CCOc1ccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4ccccc4Br)ccc32)cc1 38685649 XAXYHSFJKBEGNU-QHCPKHFHSA-N 491.341 5.285 50 10 JKGE CCOc1ccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)COc4ccc(C(C)C)cc4)ccc32)cc1 38685917 HINQSUQSPIBWKE-MUUNZHRXSA-N 484.552 5.411 50 10 JKGE Cc1c(C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@@H]3c2ccc(C(C)C)cc2)oc2ccc(F)cc12 38687092 IZNAWLHEUURUEQ-AREMUKBSSA-N 482.511 6.441 50 10 JKGE N#C/C(=C/c1c(Oc2ccccc2)nc2ccccn2c1=O)C(=O)Nc1cccc(C(F)(F)F)c1 39858484 ODSJMHFYEPJBCI-SSZFMOIBSA-N 476.414 5.051 50 10 JKGE Cc1ccc(NC(=O)/C(C#N)=C/c2ccc3noc(-c4ccc(Cl)cc4)c3c2)c([N+](=O)[O-])c1 39884732 WDJKGJMKSMSJRQ-GZTJUZNOSA-N 458.861 5.911 50 10 JKGE CCCCOc1cc(/C=C(\C#N)C(=O)Nc2sc3c(c2C(=O)OC)CCCC3)ccc1OC 39885102 CYMIBFJIUOFIJN-GHRIWEEISA-N 468.575 5.147 50 10 JKGE Cc1cc(/C=C(\C#N)c2ccc(Br)cc2)c(C)n1-c1cc(C(=O)O)cc(C(=O)O)c1 59302543 VPQSTMPNPUWWLL-UFWORHAWSA-N 465.303 5.317 50 10 JKGE N#C/C(=C/c1ccc(COc2ccc(C#N)cc2)o1)C(=O)Nc1nc(-c2ccccc2)cs1 96438681 URKJXSFFHNTIBS-UNOMPAQXSA-N 452.495 5.399 50 10 JKGE C[C@H](Cl)c1nc2cc(Br)cnc2n1-c1ccccc1I 98039897 LMCDSEPVONNNAS-QMMMGPOBSA-N 462.516 5.087 50 10 JKGE COc1cc(/C=C2/C(=O)N(CC(C)C)C(=O)C(C#N)=C2C)ccc1OCc1ccc(Cl)cc1 101334871 UKMYUZJPASFSME-SRZZPIQSSA-N 464.949 5.176 50 10 JKGE N#C/C(C(=O)Nc1ccccc1)=C1\S[C@H](Cc2cccc(Cl)c2)C(=O)N1c1ccc(F)cc1 102973879 ZOPLHOQCVLQMLU-FNBPXTNNSA-N 477.948 5.544 50 10 JKGE CCCCCOc1ccc(/C=C(/C#N)C(=O)Nc2ncc(Cc3ccccc3)s2)cc1OC 102973960 UZDRZGGUISCGJH-STZFKDTASA-N 461.587 5.857 50 10 JKGE CCOc1ccc([C@H](Br)c2c(F)cc(Br)cc2F)c(Br)c1 123756196 OPSCYUPNHMTWHN-HNNXBMFYSA-N 484.960 6.373 50 10 JKGE O=C(c1cc(Br)c(Br)s1)N1CCC[C@H]1CCCBr 125369528 HWYCQDJBXQKEON-MRVPVSSYSA-N 460.029 5.053 50 10 JKGE Cc1cc(Br)c([C@@H](Br)Cc2cccc(F)c2)cc1Br 128749750 DPBAGEXIPBXJQP-HNNXBMFYSA-N 450.971 6.338 50 10 JKGE BrCC(CBr)(Cc1cn2ccsc2n1)c1ccc(Br)cc1 149648549 VRSCKKGCQPUXKP-UHFFFAOYSA-N 493.062 5.429 50 10 JKGE Brc1ccc([C@H](Br)c2ccc3cc(Br)ccc3c2)cc1 159673278 MVIBOXBDGAYGJF-KRWDZBQOSA-N 454.987 6.849 50 10 JKGE Brc1ccccc1[C@@H](CI)O[C@@H]1CCCc2ccccc21 162080724 QWDMBWUJQSEPSI-QZTJIDSGSA-N 457.149 6.019 50 10 JKGE CCOc1cc(/C=N\NC(=O)c2ccc(C)cc2)ccc1OCc1c(Cl)cccc1Cl 169885739 UZTRNBRTLJNMHJ-VYYCAZPPSA-N 457.357 6.043 50 10 JKGE N#C/C(=C/c1ccccc1OCC(=O)Nc1nccs1)c1nc(-c2cccs2)cs1 214016639 WUGHSZGAWRFKPL-GDNBJRDFSA-N 450.570 5.410 50 10 JKGE CCOc1ccc([C@H](Cl)c2cccc(C)c2I)cc1Br 233803422 JVMRHHMGONAZKB-HNNXBMFYSA-N 465.556 6.089 50 10 JKGE Clc1ccc(C[C@@H](Br)c2ccc(Br)cc2Br)cc1Cl 236045965 FBWYAFAWRJZDSU-LLVKDONJSA-N 487.844 7.197 50 10 JKGE Clc1ccc([C@H](Br)c2cc(Cl)ccc2I)c(Cl)c1 236066306 UMOKHAFCRIXJAZ-ZDUSSCGKSA-N 476.366 6.736 50 10 JKGE Fc1ccc([C@@H](Br)c2ccc(Br)s2)c(I)c1 236177961 JSTNQECNMOOMTN-LLVKDONJSA-N 475.946 5.739 50 10 JKGE COc1cc(C=NNC(=O)COc2ccc(Cl)cc2)cc(Cl)c1OCc1ccc(C)cc1 252616775 KFEMZUYDJPVHHL-UHFFFAOYSA-N 473.356 5.419 50 10 JKGE Cc1sc(-n2c(C)cc(C=NNC(=O)Cc3cccc(C(F)(F)F)c3)c2C)c(C#N)c1C 254384074 RMEHPVOKWVNHTF-UHFFFAOYSA-N 458.509 5.356 50 10 JKGE O=C(COc1ccc(-c2ccccc2)cc1)NN=Cc1cccc(OC(=O)/C=C\c2ccco2)c1 263626255 XDDVAPIRNLITKX-HXQVTNETSA-N 466.493 5.095 50 10 JKGE O=C(Cn1c2ccccc2c(=O)c2ccccc21)NN=Cc1ccc(-c2ccc(Cl)cc2Cl)o1 263628731 BSIWWYHSOBPSKD-UHFFFAOYSA-N 490.346 5.872 50 10 JKGE Fc1cc([C@H](Br)c2cc3c(cc2Br)OCC3)ccc1Br 308416803 OVCQPVRBVGKODQ-HNNXBMFYSA-N 464.954 5.770 50 10 JKGE C[C@H](Br)C[C@@H]1CCCCN1C(=O)c1cc(Cl)ccc1I 312342869 GVMZMECAGQZUGC-JQWIXIFHSA-N 470.576 5.113 50 10 JKGE CC(C)(C)OC(=O)N1C[C@H](CBr)[C@H](c2cc(Cl)ccc2Br)C1 382716752 KYGVMEMUPVBNCB-GXFFZTMASA-N 453.602 5.448 50 10 JKGE Cc1cc(C)c([C@@H](Br)c2cc(Br)oc2C)c(C)c1Br 396455813 AXDJETVWHUBCRO-HNNXBMFYSA-N 450.996 6.523 50 10 JKGE FS(F)(F)(F)(F)c1ccc(Nc2nc(Br)c(Br)s2)cc1 686904305 JTDSFWMNHISQBU-UHFFFAOYSA-N 460.085 7.069 50 10 JKGE CC1(C)C[C@H](Br)C[C@@H](NC(=O)c2cc(Cl)ccc2I)C1 693900058 XXEIDBPXJMCEBS-MWLCHTKSSA-N 470.576 5.017 50 10 JKGE CC1(C)CC[C@H](CBr)N(Cc2cc(Cl)ccc2I)C1 701615842 JHCJVKSQZQLELT-CYBMUJFWSA-N 456.593 5.330 50 10 JKGE COc1ccc(C[C@@H](Br)c2ccc(I)c(Br)c2)cc1 721574516 ZLJMKUGLQJSVRB-CYBMUJFWSA-N 495.980 5.741 50 10 JKGE CCOc1cc(C=NNC(=O)c2cccc(Cl)c2)ccc1OCc1cccc2ccccc12 725425917 FNZBRPSOCZXLKM-UHFFFAOYSA-N 458.945 6.235 50 10 JKGE CCOc1cc(C=NNC(=O)c2ccc(C)cc2)ccc1OCC(=O)Nc1ccc(C)c(Cl)c1 1081111533 PJRGRZWSIBFGSK-UHFFFAOYSA-N 479.964 5.137 50 10 JKGE C=CCc1cc(/C=C(\C#N)C(=O)Nc2cccc(Cl)c2Cl)ccc1OCc1ccccc1Cl 1083946179 WJYUBBILTCQETB-XSFVSMFZSA-N 497.809 7.500 50 10 JKGE O=C(NN=Cc1cccc(OCc2ccc(Cl)cc2)c1)C(=O)Nc1cccc(C(F)(F)F)c1 1084268793 RUXOPSNZGLEAOF-UHFFFAOYSA-N 475.854 5.027 50 10 JKGE COc1ccc(Oc2ccc(C(F)(F)F)cc2[N+](=O)[O-])c(C=NNC(=O)c2cccc(Cl)c2)c1 1084536087 MDLCRBZKQSLRJR-UHFFFAOYSA-N 493.825 5.832 50 10 JKGE CCc1cccc(OCC(=O)NN=Cc2ccc(OCc3ccccc3Cl)c(OC)c2)c1 1772753371 WZXBAGQDENDJGN-UHFFFAOYSA-N 452.938 5.019 50 10 JKGE CCOc1c(Br)cc(C=NNC(=O)COc2ccc(-c3ccccc3)cc2)cc1OC 1772753780 IMBDJNRRDCRRJM-UHFFFAOYSA-N 483.362 5.053 50 10 JKGE Cc1ccc(C)c(OCC(=O)NCc2ccc(OC(=O)Nc3ccc(SC#N)cc3)cc2)c1 1858902772 ZUAWKNMKLXHXIO-UHFFFAOYSA-N 461.543 5.183 50 10 JKGE COc1ccc(-c2nn(-c3ccc(Cl)cc3)c3c2[C@H](c2ccc(O)cc2)C(C#N)=C(N)O3)cc1 1865684010 LCCNRJSBIGRDRI-JOCHJYFZSA-N 470.916 5.125 50 10 JKGE CC(C)c1ccc([C@H]2C(C#N)=C(N)Oc3c2c(C(F)(F)F)nn3Cc2ccc(Cl)cc2)cc1 1865686588 YBGXERPDPXYTMT-IBGZPJMESA-N 472.898 5.945 50 10 JKGE CC[C@@](C)(NC(=O)Cc1ccc2nc(O)c(C(C)C)cc2c1)C(=O)Nc1ccc(SC#N)cc1 1867067698 LRYHNLVJOWPGET-AREMUKBSSA-N 476.602 5.103 50 10 JKGE N#CSc1ccc(Nc2cc(N3CCO[C@H](c4cccnc4)C3)nc(-c3ccc(F)cc3)n2)cc1 1868455729 AQFIHMIFPVHHLX-QHCPKHFHSA-N 484.560 5.572 50 10 JKGE N#C/C(=C\c1ccc(-n2nc(-c3ccccc3)cc2-c2ccccc2)cc1)c1ccccc1[N+](=O)[O-] 1872729344 DYVGYLKJFZIIDK-NCELDCMTSA-N 468.516 7.179 50 10 JKGE CC(C)(C)c1ccc(-c2csc(/C(C#N)=C(\O)CCCOc3ccc(Cl)cc3Cl)n2)cc1 1872750285 ACQXIMYGNJDUIK-QOCHGBHMSA-N 487.452 8.066 50 10 JKGE COc1ccc(C(C)(C)C)cc1-c1csc(/C(C#N)=C(\O)c2ccc(Cl)cc2[N+](=O)[O-])n1 1872751452 IJLAFMOMCYZLOW-FXBPSFAMSA-N 469.950 6.628 50 10 JKGE Clc1ccc([C@@H](Br)c2cc(Br)ccc2OCc2ccccc2)o1 1899856379 HQAPQMOZYBOKLQ-SFHVURJKSA-N 456.561 6.759 50 10 JKGE Cc1ccsc1[C@H](Br)c1ccc(OCc2ccccc2)cc1Br 1899883431 OCFNZIYULNJRBC-GOSISDBHSA-N 452.211 6.882 50 10 JKGE Cc1oc(Br)cc1[C@@H](Br)c1sc(Cl)cc1I 1901026559 QWHUGWAUCVOHAM-SECBINFHSA-N 496.389 6.154 50 10 JKGE O=C(c1cc(Br)c(Br)s1)N(CCCBr)Cc1ccccc1 1914611951 XRRAKTAWVGDPNE-UHFFFAOYSA-N 496.062 5.701 50 10 JKGE COc1ccc(C(=O)N(Cc2ccccc2)[C@H](CBr)C2CC2)cc1Br 1915264793 MMUZECAMYGMMCQ-GOSISDBHSA-N 467.201 5.274 50 10 JKGE Cc1c(Br)sc([C@H](Br)Cc2ccc(F)c(F)c2)c1Br 1922882663 MVFMOLIWBMUOGC-MRVPVSSYSA-N 474.990 6.538 50 10 JKGE C[C@@H](C1CCCC1)[C@@H](Cl)c1c(Br)sc(Br)c1Br 1924568292 DRYJVTSVAAGWAS-QUBYGPBYSA-N 465.476 7.142 50 10 JKGE C[C@@H]1CCO[C@@H]1[C@@H](Br)c1c(Br)sc(Br)c1Br 1924569968 CHPDIRIKGSZFNO-YFEGFQIRSA-N 497.872 5.897 50 10 JKGE CSc1ccc([C@@H](Cl)c2c(Br)sc(Br)c2Br)cc1 1924589846 GBSUTHQEJQHITE-SNVBAGLBSA-N 491.495 7.086 50 10 JKGE Cc1csc([C@@H](Br)c2c(Cl)sc(Br)c2Cl)c1Cl 1925572334 ZHVPFJCKYXHOAU-YFKPBYRVSA-N 455.451 7.325 50 10 JKGE Clc1cc([C@H](Br)c2cc(Br)sc2Br)sc1Cl 1939433611 VUBYHGKNSLPGLP-SSDOTTSWSA-N 485.875 7.126 50 10 JKGE C[C@H]1CN(c2ccc(Br)cc2CBr)[C@@H](C)CN1Cc1ccccc1 1946783429 PKZZCEATDBTUNM-HOTGVXAUSA-N 452.234 5.443 50 10 JKGE Fc1cc(Br)cc([C@H](Br)c2sc(Cl)cc2Br)c1 1948828023 GTGBSWLHXUMXIE-JTQLQIEISA-N 463.391 6.550 50 10 JKGE CC(C)(C)OC(=O)N[C@@H](CBr)[C@H]1CN(Cc2ccccc2)C2(CCCCCC2)C1 1975074745 XOTXUASZZFODID-RTWAWAEBSA-N 465.476 5.890 50 10 JKGE C[C@H](CCBr)N(Cc1ccccc1)C(=O)c1ncc(Br)cc1Cl 1983535856 LTDLGADWBNBNLH-GFCCVEGCSA-N 460.597 5.313 50 10 JKGE CN(Cc1ccccc1)[C@H]1CCCN(c2ccc(CBr)cc2Br)C1 2003361631 XWNNEPBFYOZTBH-SFHVURJKSA-N 452.234 5.445 50 10 JKGE Cc1cc(Br)c(CBr)c(N(C)[C@H]2CCN(Cc3ccccc3)C2)c1 2005452190 FDKNPBXOJBZYAY-KRWDZBQOSA-N 452.234 5.363 50 10 JKGE FC1(F)CC2(C[C@@H]2[C@@H](Br)c2cc(Br)c(Br)s2)C1 2015445275 UJKMOQOBRQSOMU-SVGQVSJJSA-N 450.968 6.145 50 10 JKGE Cl[C@H](c1cccc(I)c1)c1ccc(Br)cc1Br 2024281279 FGRNAGYIHQEZNN-CYBMUJFWSA-N 486.372 6.144 50 10 JKGE C[C@H](CCC(CBr)(CBr)c1cccc(Br)c1)C(F)F 2101519931 AQPUGSOHPBUNIX-SNVBAGLBSA-N 462.998 6.158 50 10 JKGE C[C@H](CCC(CBr)(CBr)c1ccc(Br)cc1)C(F)F 2101522061 VYTJZQVEPGIBGY-SNVBAGLBSA-N 462.998 6.158 50 10 JKGE COc1ccc([C@H](Br)c2nn(C)c(Cl)c2Br)c(Br)c1 2110728996 VFTPXIUZEMVJGC-VIFPVBQESA-N 473.390 5.091 50 10 JKGE Cc1cc(Br)c(CBr)c(N2C[C@@H](C)CN(Cc3ccccc3)C[C@@H]2C)c1 2116804470 SEVZNFXMDSWSLW-ROUUACIJSA-N 480.288 5.999 50 10 JKGE Brc1cccc(Br)c1C[C@H]1C[C@H](Br)CC2(CCC2)C1 2127176007 DEYDUJCHPSVSKF-NEPJUHHUSA-N 451.040 6.488 50 10 JKGE Cc1cc([C@@H](Br)c2cc(F)c(F)cc2Cl)ccc1I 2142141185 RUCUSODPFPZFLL-CQSZACIVSA-N 457.483 6.016 50 10 JKGE CC1(C)OCCC[C@]1(CBr)Cc1ccc(I)c(Cl)c1 2142958246 QJMDDWZMFMBWBI-OAHLLOKOSA-N 457.577 5.457 50 10 JKGE O=C(N[C@@H]1c2ccccc2C[C@@H]1Br)c1csc(Br)c1Br 2150344278 HFHGKTCZBLDJSQ-CMPLNLGQSA-N 480.019 5.064 50 10 JKGE CCOc1ccc([C@@H](Cl)c2c(Br)cccc2Br)c(Br)c1 2150493072 ICGMWVQPEWDQAY-OAHLLOKOSA-N 483.425 6.701 50 10 JKGE CC12CCOC(COc3c(Br)cc(Br)cc3CBr)(C1)C2 2193674083 FTTNYNHPSALJRC-UHFFFAOYSA-N 469.011 5.445 50 10 JKGE COc1cc(C)c([C@@H](Br)c2cccc(C)c2Br)cc1Br 2198736901 JPWFXWZWOPGDLX-INIZCTEOSA-N 463.007 6.321 50 10 JKGE Cc1cc(Br)c(C)c([C@@H](Br)c2cc(F)cc(F)c2)c1Br 2201068003 CCSBMYSKFZRYKR-HNNXBMFYSA-N 468.961 6.591 50 10 JKGE Fc1cc(Br)c([C@@H](Cl)c2ccc(Br)cc2Cl)c(F)c1Cl 2201611961 VUBZXVYWDJQOMV-NSHDSACASA-N 465.346 7.125 50 10 JKGE Cc1cc(Cl)c(Br)cc1[C@H](Br)Cc1ccc(Br)cc1F 2202358063 YMLAXYYDPRKJMJ-GFCCVEGCSA-N 485.416 6.991 50 10 JKGE COc1c(Br)cc(C)cc1[C@H](Br)c1nn(C)c(Br)c1C 2203813018 PUXFSTQYSJQQGJ-NSHDSACASA-N 466.999 5.055 50 10 JKGE COc1c(Cl)cc(Br)cc1[C@@H](Cl)c1ccc(I)c(C)c1 2207111268 OHIDSHSZHGHNMK-AWEZNQCLSA-N 485.974 6.352 50 10 JKGE CCN1C[C@@H](c2sc(Br)c(Br)c2Br)[C@@H](Br)C1 2212201402 WUTRCNKSKRXAMS-RITPCOANSA-N 496.888 5.218 50 10 JKGE Fc1cc(Br)c(Br)cc1[C@@H](Cl)c1ccc(Br)s1 2213492174 MOVFAYAUNTYAKN-LLVKDONJSA-N 463.391 6.503 50 10 JKGE Cc1sc([C@H](Cl)c2c(Cl)sc(Br)c2Cl)c(Br)c1C 2221839506 WSKHCBVNPVYHMA-SSDOTTSWSA-N 469.478 7.586 50 10 JKGE COC[C@@H]1CC[C@H](c2sc(Br)c(Br)c2Br)C[C@H]1Cl 2222476006 WVZZVVZAZKWKSP-BIIVOSGPSA-N 481.475 6.173 50 10 JKGE C[C@@H](C1CCCCC1)[C@H](Br)c1cc(Br)c(Br)cc1F 2225620140 QZMRSPYNKUYFSV-VFZGTOFNSA-N 457.019 7.003 50 10 JKGE CCOc1ccc([C@@H](Br)c2sc(C)cc2Br)c(Br)c1 2229325029 CKMFRPAXJQRFOC-CYBMUJFWSA-N 469.036 6.465 50 10 JKGE Cl[C@@H](c1cc(Br)sc1Br)c1ccc2c(c1Br)CCO2 2229735127 ZOJHTBHHRZTXMS-GFCCVEGCSA-N 487.438 6.299 50 10 JKGE Clc1ccccc1C[C@@H](Br)c1c(Br)cc(Cl)c(Cl)c1Cl 2232511754 LOTLAJXXANYYQU-MRVPVSSYSA-N 477.838 7.741 50 10 JKGE Clc1cc(Br)c([C@H](Br)[C@H]2C[C@@H]3CCC[C@@H]3C2)c(Cl)c1Cl 2232513009 VUCBBSNQORJEHT-LOKDSWTASA-N 461.452 7.672 50 10 JKGE CCN(C[C@](C)(CBr)OCC1(C)CC2(CC(F)(F)C2)C1)C(=O)OC(C)(C)C 2238840549 WVCXSKVGCRSOKA-SFHVURJKSA-N 454.396 5.629 50 10 JKGE COc1c(Br)cc(Cl)cc1[C@H](Cl)c1cc(I)sn1 2263544269 DLNSMCOEQNEOLB-JTQLQIEISA-N 478.964 5.500 50 10 JKGE COc1ccc([C@@H](Br)c2cc(Br)oc2C)c(Br)c1Cl 2268267394 DPHCTYOELRVPEX-LLVKDONJSA-N 473.386 6.259 50 10 JKGE C=CC[C@]1(CBr)CCCN1Cc1c(Br)cccc1Br 2272125886 JNGNJEGXQLNPII-OAHLLOKOSA-N 452.028 5.517 50 10 JKGE COc1c([C@H](Br)c2csnc2Br)cc(Br)c2c1CCC2 2284514434 GMCKYWIPFOGMOP-LBPRGKRZSA-N 482.035 5.650 50 10 JKGE COc1ccc([C@H](Br)Cc2c(Cl)cccc2Cl)cc1I 2285011169 SSCCOBXZFSWEFC-LLVKDONJSA-N 485.974 6.285 50 10 JKGE Fc1ccc(I)c(-n2c(CCl)nc3c(Br)cccc32)c1 2287303174 VOBSZDUCIAIHSI-UHFFFAOYSA-N 465.491 5.271 50 10 JKGE Fc1cc(Br)c(F)c(Br)c1[C@@H](Br)C1(CC(F)(F)F)CC1 2288355819 GNCCUWPPNLMCRB-SNVBAGLBSA-N 486.898 6.658 50 10 JKGE CC(C)(C)CCN(CCBr)C(=O)c1cc(Cl)ccc1I 2289869921 MIWRSIPNDPGCOZ-UHFFFAOYSA-N 472.592 5.218 50 10 JKGE COc1ccc(C(=O)Oc2cc(C=C(C#N)C(=O)Nc3cc(Cl)cc(Cl)c3)ccc2OC)cc1 2295459767 VYOXULQDWGJCSB-UHFFFAOYSA-N 497.334 5.775 50 10 JKGE CC(C)OC(=O)c1c(NC(=O)C(C#N)=Cc2ccc(-c3ccc(F)cc3)o2)sc2c1CCCC2 2296833122 DNPZAKXONVZBAD-UHFFFAOYSA-N 478.545 6.137 50 10 JKGE Clc1cc(I)c([C@H](Cl)c2cccc(Br)c2Cl)s1 2300956203 WVPFBDHDUSXTAL-SNVBAGLBSA-N 482.395 6.750 50 10 JKGE C=CCc1cc(C=C(C#N)C(=O)N(C)C)cc(Br)c1OCc1ccccc1Cl 2313568274 QYUUSVVIUOYCRX-UHFFFAOYSA-N 459.771 5.405 50 10 JKGE N#CC(=Cc1ccccc1OCc1ccc(Cl)cc1Cl)C(=O)Nc1ccccc1Cl 2313631627 SYNMWLXOCGAFMD-UHFFFAOYSA-N 457.744 6.771 50 10 JKGE C[C@@H]1O[C@H](C)[C@H]([C@@H](Br)c2cc(Br)ccc2OCc2ccccc2)[C@H]1C 2314491577 RKIXOEGNENQYQH-SPYXRDKXSA-N 468.229 6.524 50 10 JKGE Cl[C@H](Cc1ccc(Br)cc1)c1cc(Br)ccc1OCc1ccccc1 2314501772 AZFOGDKSELXDFC-HXUWFJFHSA-N 480.627 7.313 50 10 JKGE N#CC(=Cc1cccc(OC(=O)COc2ccc(Cl)cc2Cl)c1)c1ccc(Cl)cc1 2320511162 MDZTXCJYILYABT-UHFFFAOYSA-N 458.728 6.695 50 10 JKGE CCc1ccc(-c2csc(C(C#N)=C(O)[C@H]3CC(=O)N(c4cc(Cl)ccc4OC)C3)n2)cc1 2331245708 LZPBZLJAJMQBCZ-KRWDZBQOSA-N 479.989 5.880 50 10 JKGE CCCCc1ccc(-c2csc(C(C#N)=C(O)[C@@H](C(C)C)N3C(=O)c4ccccc4C3=O)n2)cc1 2331255966 KKIQSFGIQBTVCK-XMMPIXPASA-N 485.609 6.266 50 10 JKGE N#CC(=C(O)c1ccc2c(c1)C(=O)N(C1CCCCC1)C2=O)c1nc(-c2ccccc2)cs1 2331301007 KDWSLKVGICEDBV-UHFFFAOYSA-N 455.539 5.689 50 10 JKGE COc1ccc(OC)c(-c2csc(C(C#N)=C(O)C=Cc3ccc(OCc4ccccc4)cc3)n2)c1 2331325947 GHFIJUKALREFHD-UHFFFAOYSA-N 496.588 6.912 50 10 JKGE N#CC(=C(O)CCCN1C(=O)c2cccc([N+](=O)[O-])c2C1=O)c1nc(-c2c[nH]c3ccccc23)cs1 2331349186 YLQDNUSQMGCWRY-UHFFFAOYSA-N 499.508 5.069 50 10 JKGE COc1cc(-c2csc(C(C#N)=C(O)[C@@H](C)Oc3ccccc3C(C)C)n2)c(OC)cc1Cl 2331377012 WUVFFOAREGJREN-OAHLLOKOSA-N 485.005 6.864 50 10 JKGE N#CC(=Cc1ccc(OCc2ccc(Cl)cc2)cc1)c1nc(-c2ccc3ccccc3c2)cs1 2331416732 JCTOHWJDVJXZPI-UHFFFAOYSA-N 479.004 8.260 50 10 JKGE COc1cc(C=C(C#N)c2nc(-c3ccc(Cl)s3)cs2)cc(Br)c1OC(C)C 2331485020 JYVIUVNOBAHGGZ-UHFFFAOYSA-N 495.851 7.147 50 10 JKGE FC1(F)[C@H]([C@H](Br)c2cc(Br)ccc2OCc2ccccc2)C12CCCC2 2336053111 GZMZGBRANXGYQY-RTBURBONSA-N 486.194 7.290 50 10 JKGE Cc1cc([C@H](Cl)c2c(Cl)cc(Br)c(F)c2Br)sc1Cl 2337096754 FZBBPWFQIFEJQF-JTQLQIEISA-N 467.412 7.356 50 10 JKGE COc1c(Br)cc(C)c([C@H](Br)c2ccc(C)s2)c1Br 2339640056 UBKWMISHFHUOBO-GFCCVEGCSA-N 469.036 6.383 50 10 JKGE Cc1cc(Br)c(F)c(Br)c1[C@H](Br)[C@@]12CCCC[C@H]1C2 2339652085 VTILTZBBRRTJCU-ULKVUYOBSA-N 455.003 6.675 50 10 JKGE Cc1cc(Br)c(F)c(Br)c1[C@H](Br)C[C@H]1CO[C@H](C)C1 2339686174 KXAIWJKGZGMLGE-KXUCPTDWSA-N 458.991 5.910 50 10 JKGE Cc1cccc([C@@H](CI)OCc2cccc(I)c2)c1 2341612672 VHDXSBDKKUVGBW-MRXNPFEDSA-N 478.111 5.293 50 10 JKGE Fc1cc(NCc2ccc(I)c(Br)c2)ccc1CCl 2349827363 IINNLWURMXEBKN-UHFFFAOYSA-N 454.508 5.544 50 10 JKGE Clc1ccc(I)cc1C[C@H]1CCCCCCC[C@H]1Br 2352426664 APAPUTWSBFSUHS-IUODEOHRSA-N 455.605 6.611 50 10 JKGE BrCC(CBr)(C[C@H]1C[C@@H]2CC[C@H]1C2)c1cccc(Br)c1 2359366153 ZNLDKJHZBVNRIM-HZSPNIEDSA-N 465.067 6.303 50 10 JKGE Fc1cc(Br)c(F)c(Br)c1[C@@H](Br)[C@H]1[C@@H]2[C@H]1CCC2(F)F 2359721270 QZIDBFPFIUNXIB-BTSKXAQDSA-N 480.919 6.217 50 10 JKGE Fc1c(Br)cc(Cl)c([C@H](Br)[C@H]2C(F)(F)C23CCC3)c1Br 2362225455 VSUOVMFVLLRIFA-GXSJLCMTSA-N 497.374 6.876 50 10 JKGE Fc1c(Br)cc(Cl)c([C@H](Br)[C@@H]2CC[C@@H]3C[C@H]2CO3)c1Br 2362232186 KSKGDQOLWMPRES-HIHLCYOISA-N 491.420 6.255 50 10 JKGE Cc1cc(Br)c(C)c([C@@H](Br)[C@H]2CO[C@]3(C)C[C@H]2C3)c1Br 2362907180 RNAFOLGWRFTZIR-KUDNYVPYSA-N 467.039 6.080 50 10 JKGE Cc1c(Br)ccc([C@@H](Br)[C@H]2C[C@H]3CCC[C@H]2CC3)c1Br 2364129767 KDZLBUZXCCSQGV-MYLCLEHYSA-N 465.067 7.172 50 10 JKGE Cc1cc(Br)c(F)c(Br)c1[C@H](Br)CCC1CCCCC1 2365180378 SCCLARQMMWABFS-GFCCVEGCSA-N 471.046 7.456 50 10 JKGE Cc1cc(Br)c(F)c(Br)c1[C@H](Cl)c1ccc(Br)cc1F 2365224043 TZOTYCDABILKEA-CYBMUJFWSA-N 489.379 6.889 50 10 JKGE CC(C)[C@@H](Br)C(C)(C)CN(C)C(=O)c1csc(Br)c1Br 2365888003 OLXATGHCYXGWRQ-LLVKDONJSA-N 490.099 5.791 50 10 JKGE CC(C)[C@@H](Cl)C(C)(C)CN(C)Cc1ccc(I)c(Br)c1 2377352960 MYENOSXQCDPPGG-OAHLLOKOSA-N 472.636 5.775 50 10 JKGE Cc1cc(Br)c(C(C)C)cc1[C@@H](Br)c1nn(C)cc1Br 2380948221 ZOCYJLWEZCGWLN-CQSZACIVSA-N 465.027 5.861 50 10 JKGE COc1ccc(/C(C#N)=C\c2ccc(OC(=O)c3ccc(C(F)(F)F)cc3)c(OC)c2)cc1 31902320 WNJPLDREVYRFCW-UYRXBGFRSA-N 453.416 6.006 50 10 JKGE N#C/C(=C/c1cccc(OCc2ccc(Br)cc2)c1)S(=O)(=O)c1ccccc1 33283685 ZYWFIWQVRAPUGG-HMAPJEAMSA-N 454.345 5.366 50 10 JKGE COc1cc(/C=C(/C#N)c2ccc(Cl)cc2)ccc1OC(=O)/C=C\c1cccc([N+](=O)[O-])c1 33377657 GTWFZCBOEPPKSF-QGNYHLHQSA-N 460.873 5.940 50 10 JKGE CCCCCCOc1ccc(-c2nn(-c3ccccc3)cc2/C=C(/C#N)C(=O)NC[C@H]2CCCO2)cc1 33700669 IEZKWPJIXXCADC-XYOMFLGSSA-N 498.627 5.701 50 10 JKGE CCCCSc1ccc(-c2nn(-c3ccccc3)cc2/C=C(\C#N)C(=O)NC2CCCCC2)cc1 35445911 LEUXELKZDOXCCL-FCDQGJHFSA-N 484.669 6.787 50 10 JKGE COc1ccc(C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@H]3c2ccc(Cl)cc2)cc1Cl 38687830 PDXURJNFIBHWME-QFIPXVFZSA-N 467.308 5.439 50 10 JKGE Cc1cc(C)cc(NC(=O)c2oc3c(c2C)/C(=N/NC(=O)c2ccc(Br)cc2)CCC3)c1 40811754 SCLMLYVNPHKKGR-VFCFBJKWSA-N 494.389 5.690 50 10 JKGE CCOc1cc(/C=N/NC(=O)c2ccc(-n3c(C)ccc3-c3ccccc3)cc2)ccc1OC 59305397 ITTOGGGSTQBWOE-VUTHCHCSSA-N 453.542 5.624 50 10 JKGE Brc1ccc([C@@H](Br)c2cc(Br)sc2Br)o1 71101423 SRJAIVCKTWKYQJ-QMMMGPOBSA-N 479.813 6.113 50 10 JKGE 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)C3=C[C@H](Cl)[C@@]2(O)C1 72399313 JIXRSUPPSOBQSS-TXEGMZLESA-N 491.156 7.314 50 10 JKGE Fc1cc(Br)c(Cl)cc1[C@H](Br)c1cccc(Br)c1 97895749 RSOOAPMHADZFSV-CYBMUJFWSA-N 457.362 6.488 50 10 JKGE Fc1cc(Br)cc([C@H](Br)c2cc(Cl)c(Br)cc2F)c1 97895937 UKCMIYUQPSIPQT-ZDUSSCGKSA-N 475.352 6.628 50 10 JKGE Cc1ccc(Br)c([C@@H](Br)c2cc(Cl)c(Br)cc2F)c1 97895974 LQRJUSIRJLKNDY-CQSZACIVSA-N 471.389 6.797 50 10 JKGE CCCCCCCCCCCCCC(=O)N/N=C/c1cn(-c2ccccc2)nc1-c1ccc(C)cc1 105052828 IASMMQFBAXUZRY-FEZSWGLMSA-N 486.704 7.999 50 10 JKGE COc1ccc([C@@H](Cl)c2cc(Br)sc2Br)c(OC)c1OC 109825150 SIJXQWSXGIIAEL-LLVKDONJSA-N 456.583 5.627 50 10 JKGE Cc1nc(CC(CBr)(CBr)c2ccccc2Br)cs1 118672043 FCMQTVFBBDOKHC-UHFFFAOYSA-N 468.052 5.484 50 10 JKGE Fc1c([C@@H](Cl)c2cc(Br)sc2Br)cccc1C(F)(F)F 125538460 QFIVTKBYLZDJAP-SECBINFHSA-N 452.492 6.759 50 10 JKGE Brc1cc([C@H](Br)c2ccc3c(c2)CCO3)sc1Br 128234681 XROTUJGWBIJERH-GFCCVEGCSA-N 452.993 5.692 50 10 JKGE CCc1cc(CC)c([C@@H](Br)c2cccc(I)c2)c(CC)c1 148116185 CWFWDXYEBHOSGX-IBGZPJMESA-N 457.193 6.463 50 10 JKGE Cc1ccc(Br)c([C@H](Cl)c2cc(Br)c(Br)s2)c1 161288399 CAWPRHVXKZPSEH-NSHDSACASA-N 459.428 6.672 50 10 JKGE CCCCCN1C(=O)C(C#N)=C(C)/C(=C/c2cn(-c3ccccc3)nc2-c2ccc(OC)cc2)C1=O 214231893 FXJKXGCPIGPOFG-UQQQWYQISA-N 480.568 5.330 50 10 JKGE CCOc1cc(/C=C2\C(=O)N(Cc3ccc(F)cc3)C(=O)C(C#N)=C2C)ccc1OCc1ccccc1 214411034 WRVNMJIWADTHEU-MYYYXRDXSA-N 496.538 5.596 50 10 JKGE COc1ccc([C@@H](Br)c2ccc(Br)cc2)c(OC)c1Br 224857763 QDTCIOFGSNPIBW-ZDUSSCGKSA-N 464.979 5.713 50 10 JKGE Clc1sc([C@H](Br)c2cccc(Br)c2Cl)cc1Br 227849845 OYEQDZXRYUGPQQ-SECBINFHSA-N 479.846 7.064 50 10 JKGE Cc1sc(Br)cc1[C@@H](Br)c1cc(Cl)cc(Br)c1 235816781 ZNCOCJLKNMFUCH-LBPRGKRZSA-N 459.428 6.719 50 10 JKGE CC(C)(C)[Si](C)(C)OC[C@@H]1OC=C[C@H](O[Si](C)(C)C(C)(C)C)[C@H]1O[Si](C)(C)C(C)(C)C 247501022 FMXIGEXRLSNRMR-PCCBWWKXSA-N 488.934 7.702 50 10 JKGE COc1ccc(-c2nnc(SCC(=O)NN=C/C=C\c3ccccc3)n2-c2ccc(C)cc2)cc1 254347562 JCWHWEZMJBYAOM-ILQNFELRSA-N 483.597 5.159 50 10 JKGE COc1ccc(C(C)=NNC(=O)CSc2nnc(SCc3cccc4ccccc34)s2)cc1 254876028 OANPFGXMJJRPQH-UHFFFAOYSA-N 494.667 5.625 50 10 JKGE O=C(CSc1nnc(-c2ccccc2)s1)NN=Cc1cn(Cc2ccccc2)c2ccccc12 256028545 UAGPJJHNKAHELQ-UHFFFAOYSA-N 483.622 5.451 50 10 JKGE Cc1cc(C(=O)[C@@H](C)Cl)c(C)n1-c1ccc(Br)c(I)c1 312301479 UKMBAYNOMIQVQG-SECBINFHSA-N 466.544 5.271 50 10 JKGE Fc1cc([C@H](Br)c2ccc(I)c(Cl)c2)c(F)c(F)c1F 395623119 YDNJACWQXBMOQS-SNVBAGLBSA-N 479.436 5.985 50 10 JKGE Cc1cc(F)c([C@H](Cl)c2cc(Br)ccc2I)cc1C 395924013 VDZRDFNBVRWLIJ-HNNXBMFYSA-N 453.520 6.138 50 10 JKGE Cl[C@H](c1cc(Br)sc1Br)c1nscc1Br 404703649 HLBRTKDHROJJTC-ZCFIWIBFSA-N 452.418 5.820 50 10 JKGE CC(C)(C)[Si](C)(C)OCCN1CCC[C@@H](c2ccccc2CO[Si](C)(C)C(C)(C)C)CC1 616601211 LPKJGUSIVGIOJZ-HSZRJFAPSA-N 477.882 7.800 50 10 JKGE CC(C)(C)[Si](C)(C)OCCN1CCC[C@@H](c2ccc(CO[Si](C)(C)C(C)(C)C)cc2)CC1 616628168 NLEIDWVRMKQQMS-XMMPIXPASA-N 477.882 7.800 50 10 JKGE O=C1CCc2cc([C@@H](Br)c3scc(Br)c3Br)ccc2N1 705463634 LMWAGNHTUKEZLU-GFCCVEGCSA-N 480.019 5.642 50 10 JKGE CCc1cccc(CBr)c1OCc1cc(Cl)ccc1I 709384343 HQGBGPNPPFXKRN-UHFFFAOYSA-N 465.556 5.981 50 10 JKGE FC1(F)CCC[C@H]1C[C@@H](Br)c1cc(Br)sc1Br 713931097 NNIRTXSUSGMXHC-POYBYMJQSA-N 452.984 6.535 50 10 JKGE CCOc1ccc(NC(=O)/C(C#N)=C\c2cc(Br)c(OC(C)C)c(OC)c2)cc1 1084004836 VTVMMHQZPPWDHM-YBEGLDIGSA-N 459.340 5.189 50 10 JKGE CCc1ccc(OCC(=O)NN=C(C)c2ccc(-c3ccccc3)cc2)c(Br)c1 1084020185 CDMKEXGJZXKFSE-UHFFFAOYSA-N 451.364 5.598 50 10 JKGE O=C(NN=Cc1c2ccccc2cc2ccccc12)c1ccc(CSc2ccc(Cl)cc2)cc1 1084061235 UHZLXWUYKSYPMC-UHFFFAOYSA-N 481.020 7.703 50 10 JKGE Cc1ccc(NC(=O)/C(C#N)=C/c2ccc(OC(=O)c3ccc(Cl)cc3Cl)cc2)cc1 1084268883 CIJBVTPILACRKE-SFQUDFHCSA-N 451.309 6.067 50 10 JKGE O=C(NN=Cc1cc(Br)c(Sc2ccc(Cl)cc2)o1)Nc1ccccc1 1084356920 ZLTLKIRJJLSRJO-UHFFFAOYSA-N 450.745 6.002 50 10 JKGE CC(=NNC(=O)CSCc1cccc(Cl)c1)c1cccc(NC(=O)c2ccccc2)c1 1084491995 BHKUUAJBQIEGRO-UHFFFAOYSA-N 451.979 5.366 50 10 JKGE CCCc1nn(Cc2ccc(Cl)c(Cl)c2)c2c1[C@@H](c1ccc(C)cc1)C(C#N)=C(N)O2 1865686375 UMEWOHUKPMTXIH-NRFANRHFSA-N 453.373 5.717 50 10 JKGE CCCOc1c(OC)cccc1[C@@H]1C(C#N)=C(N)Oc2c1c(-c1ccccc1)nn2CC(C)C 1865692775 IBLZOSUEGUUDOB-JOCHJYFZSA-N 458.562 5.222 50 10 JKGE CCCCCCOc1ccc([C@H]2C(C#N)=C(N)Oc3c2c(C)nn3Cc2ccccc2)cc1OC 1865696296 LTUDLSJZSUPHIB-SANMLTNESA-N 472.589 5.426 50 10 JKGE CCc1nn(-c2ccc(Cl)c(Cl)c2)c2c1[C@@H](c1c[nH]c3ccccc13)C(C#N)=C(N)O2 1865699925 GQIGUKNCZPOQDY-HXUWFJFHSA-N 450.329 5.441 50 10 JKGE CCCc1ccc(OC/C(O)=C(\C#N)c2nc(-c3cc(C(C)C)c(OC)cc3C)cs2)cc1 1872753606 GAKMGQLFWLGJHO-BZZOAKBMSA-N 462.615 7.075 50 10 JKGE C=CCOc1ccccc1OC/C(O)=C(\C#N)c1nc(-c2ccc(OCC)cc2OCC)cs1 1872755331 IPTPULJKHLBRON-XDOYNYLZSA-N 478.570 6.044 50 10 JKGE CCCCCCOc1ccc(/C=C(\C#N)c2nc(-c3ccc(F)cc3F)cs2)cc1OC 1872784116 CYJMFYJOHQVVMW-LDADJPATSA-N 454.542 7.120 50 10 JKGE COc1cc(Br)cc(/C=C(\C#N)c2nc(-c3cccc4ccccc34)cs2)c1O 1872792178 JODOLNRXZCYWCT-CXUHLZMHSA-N 463.356 6.504 50 10 JKGE CC[C@H](Br)CN(Cc1ccccc1)Cc1ccc(Br)cc1Br 1915092984 PNIGBHGFPKGRES-INIZCTEOSA-N 490.077 6.387 50 10 JKGE CC(C)[C@@H](CBr)N(Cc1ccccc1)C(=O)c1cc(Br)ccc1O 1915297816 LNEDVDCNODVTDJ-QGZVFWFLSA-N 455.190 5.217 50 10 JKGE COc1ccc(CN(Cc2ccccc2)C2(CBr)CCC2)cc1Br 1915740756 HSTYWCQESMAAJI-UHFFFAOYSA-N 453.218 5.778 50 10 JKGE O=S(=O)(c1ccccc1C(F)(F)F)N(Cc1ccccc1)C1(CBr)CCC1 1915755176 JTNMAPHBUNOLNJ-UHFFFAOYSA-N 462.331 5.214 50 10 JKGE COc1cccc(F)c1[C@@H](Br)c1sc(Br)cc1Br 1922946624 TUPKVGXAVDSDNB-LLVKDONJSA-N 458.972 5.905 50 10 JKGE Cc1c(Br)cccc1[C@H](Cl)c1c(Br)sc(Br)c1Cl 1923037217 BLPKOWCOQBPTHF-VIFPVBQESA-N 493.873 7.326 50 10 JKGE Cn1ncc(Cl)c1[C@H](Br)c1c(Br)sc(Br)c1Cl 1923040431 UQVZSLZFTMPENI-RXMQYKEDSA-N 483.838 5.798 50 10 JKGE C[C@@H]1CO[C@@H]([C@@H](Br)c2c(Br)sc(Br)c2Cl)C1 1923066537 QWNSGLBPMYEOGE-HBPOCXIASA-N 453.421 5.788 50 10 JKGE Brc1sc(Br)c([C@@H](Br)[C@@H]2CCCCO2)c1Br 1924579583 HNOHRHRCDRSANW-FSPLSTOPSA-N 497.872 6.041 50 10 JKGE CC1(C)CCCC[C@@H]1[C@@H](Cl)c1c(Br)sc(Br)c1Br 1924591738 UEZSRXRKNMSISF-GMSGAONNSA-N 479.503 7.532 50 10 JKGE Clc1sc(Br)c(Cl)c1[C@@H](Cl)c1cccc(Br)c1Cl 1925587703 LMTRJSZYJMUGFJ-QMMMGPOBSA-N 469.840 7.562 50 10 JKGE C[C@H]1CN(c2cc(Br)ccc2CBr)[C@@H](C)CN1Cc1ccccc1 1946784377 ZSXFDZHESMIRDX-HOTGVXAUSA-N 452.234 5.443 50 10 JKGE CC(C)[C@@H](CBr)N(Cc1ccccc1)Cc1cc(Cl)cc(Br)c1 1979519977 LNWCVGZRMDVYDB-LJQANCHMSA-N 459.653 6.524 50 10 JKGE CC1(C)CC[C@H]1[C@H](Cl)c1c(Br)sc(Br)c1Br 1987991006 NOVUORKSIHHHGH-XNCJUZBTSA-N 451.449 6.752 50 10 JKGE C[C@@H](COc1c(Br)cc(CBr)cc1Br)P(C)(C)=O 2084154510 KGHICGNKWYKIKQ-QMMMGPOBSA-N 462.944 5.497 50 10 JKGE CCc1ccc(CC)c([C@H](Br)c2csc(Br)c2Br)c1 2093941862 DLQUAXGTZMWXOD-ZDUSSCGKSA-N 467.064 6.882 50 10 JKGE Fc1ccc([C@@H](Br)c2cc(Br)c(Cl)cc2F)c(Br)c1 2097834752 NNNOYJOWIABSLL-CYBMUJFWSA-N 475.352 6.628 50 10 JKGE Cc1cc(Cl)c(Br)cc1[C@H](Cl)c1cc(Br)cc(Br)c1 2137653832 GIICRXYQGDNGNZ-CQSZACIVSA-N 487.844 7.264 50 10 JKGE Fc1ccc([C@H](Br)c2ccc(Br)cc2Br)c(F)c1F 2138854319 SQYINNLSNWDMOI-LLVKDONJSA-N 458.897 6.113 50 10 JKGE Cc1c(Br)ccc([C@H](Br)C23CC(C)(C2)O[C@@H]3C)c1Br 2138874365 VNVBAMQIDJZRET-BWYOJNGRSA-N 453.012 5.914 50 10 JKGE Cc1cc(Br)c([C@H](Br)[C@@H]2CC[C@@]3(C2)CC3(F)F)cc1Br 2156117463 RJLMXUYPNQWYNP-OWYVNGRQSA-N 472.993 6.782 50 10 JKGE Cc1sc(Br)c([C@H](Br)c2cc(Br)cc3c2OCC3)c1C 2157252545 SLKRXYCAWRMPNS-CYBMUJFWSA-N 481.047 6.309 50 10 JKGE COc1cccc(OCc2cc(Cl)ccc2I)c1CBr 2160728787 PEVSTEYQJSHEOM-UHFFFAOYSA-N 467.528 5.427 50 10 JKGE BrCc1cc(Br)c(OC[C@@H]2CC3(CCC3)CO2)c(Br)c1 2166425277 RAAVXAWIGFYOAI-NSHDSACASA-N 469.011 5.445 50 10 JKGE Brc1cccc(Br)c1CN1CCC[C@@H]2CC[C@@H](Br)C[C@@H]21 2167024568 VQEFUYYVFVSNOJ-HSMVNMDESA-N 466.055 5.740 50 10 JKGE F[C@@]12CCC[C@]1(CBr)CN(Cc1cc(Br)ccc1Br)C2 2176641958 WRZTUVXBZDCSEF-LSDHHAIUSA-N 470.018 5.301 50 10 JKGE Cc1cc(Br)c(CBr)c(Oc2ccc(C#N)cc2Br)c1 2197257980 WWAIVTUWOPAHLX-UHFFFAOYSA-N 459.963 6.079 50 10 JKGE COc1cc(C)c([C@@H](Br)c2ccc(Cl)cc2Br)cc1Br 2198736797 IODAMXGEJYDLHK-HNNXBMFYSA-N 483.425 6.666 50 10 JKGE Cc1cc(Br)c(C)c([C@H](Br)CC2CC(C(F)F)C2)c1Br 2201068496 REFYAROUTHFSNU-RTYFJBAXSA-N 475.009 6.946 50 10 JKGE COc1cc(Cl)c([C@@H](Br)c2ccc(F)c(Br)c2)cc1Br 2202354033 VKNKKCVGCZENAV-AWEZNQCLSA-N 487.388 6.497 50 10 JKGE Cc1c(Br)ccc([C@H](Br)c2cc(F)c(Cl)cc2F)c1Br 2203688297 UFKYVUPUOMFCLV-AWEZNQCLSA-N 489.379 6.936 50 10 JKGE Fc1ccc(Br)c(CO[C@@H](CBr)c2ccc(Br)cc2)c1 2206274669 YSAKVNBYVKJZNA-HNNXBMFYSA-N 466.970 6.004 50 10 JKGE Fc1ccc(Br)c(CO[C@@H](CI)c2ccc(Cl)cc2)c1 2206280758 XWYJWSSCAWVREN-HNNXBMFYSA-N 469.519 5.935 50 10 JKGE C[C@H](Br)C#Cc1sc(Br)c(Br)c1Br 2209349468 PNIZZRMOMICCNJ-BYPYZUCNSA-N 451.803 5.171 50 10 JKGE Cc1cc(Br)c([C@@H](Br)c2ccoc2Br)c(C)c1Cl 2217613376 OFQZZYCCYNYEBQ-NSHDSACASA-N 457.387 6.559 50 10 JKGE FC(F)(F)[C@@H]1CCO[C@@H]1[C@@H](Br)c1sc(Br)cc1Br 2223755675 DZPQIFWITOELAF-VXFFBNABSA-N 472.946 5.677 50 10 JKGE C[C@@]1([C@H](Br)c2c(Br)cc(Cl)c(Cl)c2Cl)COCCO1 2224313812 VPOSXOSXESLRGU-NEPJUHHUSA-N 453.385 5.651 50 10 JKGE Clc1cc(Br)c([C@H](Br)[C@H]2C[C@@H]3CC[C@H](C2)O3)c(Cl)c1Cl 2232508806 HGJGKVUKGLBXKQ-HZLHGAJGSA-N 463.424 6.803 50 10 JKGE Fc1ccc([C@H](Br)c2c(Br)cc(Cl)c(Cl)c2Cl)c(F)c1 2232514338 USXLZSZJZVLHTM-NSHDSACASA-N 465.346 7.172 50 10 JKGE Cc1cc(Cl)c([C@@H](Br)Cc2ccc(Br)cc2Cl)cc1Cl 2237459219 YDFDYSKZSMSTQJ-LBPRGKRZSA-N 457.420 7.396 50 10 JKGE Cc1ccc([C@@H](Br)c2ccc3c(c2Br)CCO3)c(Br)c1 2238076613 MJOSDPOYDLVBOL-OAHLLOKOSA-N 460.991 5.939 50 10 JKGE COc1ccc([C@H](Cl)c2scc(C)c2Br)cc1I 2257354980 NEFCVSNUUXZUDM-LBPRGKRZSA-N 457.558 5.760 50 10 JKGE FC(F)(F)c1ccc([C@@H](Br)c2cc(Br)sc2Br)s1 2263328742 RTNCWWPCHJCWDG-QMMMGPOBSA-N 484.982 6.838 50 10 JKGE C[C@@H](Cl)CN(CCC(C)(C)C)c1ncc(I)cc1Br 2272452115 LTVFDKWVQKFWLH-SNVBAGLBSA-N 459.597 5.319 50 10 JKGE CC(F)(F)[C@@H]1C[C@H]1[C@H](Br)c1c(F)cc(Br)c(F)c1Br 2272842780 QRMPWCDMXBSMSO-OJFKHTATSA-N 468.908 6.217 50 10 JKGE Brc1cc(Br)cc(C[C@H](Br)C[C@H]2CCCC23CC3)c1 2277955650 KLQAJOVLHHBSQI-OLZOCXBDSA-N 451.040 6.488 50 10 JKGE Cc1ccc(F)cc1[C@H](Br)Cc1cc(Br)cc(Br)c1 2277961507 VECQETJKRLJMIC-OAHLLOKOSA-N 450.971 6.338 50 10 JKGE Clc1c(Br)csc1[C@@H](Cl)c1cc2c(cc1Br)OCCO2 2279288295 PZXKVTMWUFGUPV-NSHDSACASA-N 458.986 6.026 50 10 JKGE Cc1cc(F)ccc1[C@H](Br)c1c(F)cc(Br)c(F)c1Br 2288374079 PDKYNBUVXCDYBR-LBPRGKRZSA-N 472.924 6.422 50 10 JKGE COC[C@@H]1CC[C@@H]([C@@H](Br)c2c(F)cc(Br)c(F)c2Br)C1 2288483619 MQIXQHDCGRUELK-DNSOKLHBSA-N 476.981 5.989 50 10 JKGE Fc1cc(Br)c(F)c(Br)c1[C@H](Br)C1(CC(F)F)CCC1 2288498073 BTJXMLCTGLLMFW-LBPRGKRZSA-N 482.935 6.751 50 10 JKGE Fc1cc(F)c([C@H](Br)c2cc3sc(Br)cc3s2)cc1Cl 2295408532 GKGLIBSZMMFHKP-ZDUSSCGKSA-N 458.574 7.141 50 10 JKGE CCOC(=O)c1c(-c2ccc(Br)cc2)csc1NC(=O)C(C#N)=Cc1ccc(O)cc1 2295869850 PZERULUEGFFMGC-UHFFFAOYSA-N 497.370 5.606 50 10 JKGE CCOc1ccc(NC=C(C#N)c2nc(-c3cc4cc(Br)ccc4oc3=O)cs2)cc1 2295891525 DWMHKMSRGZDJCB-UHFFFAOYSA-N 494.370 6.054 50 10 JKGE N#CC(=Cc1cn(-c2ccc([N+](=O)[O-])cc2)nc1-c1ccccc1)c1nc(O)c2ccccc2n1 2296721797 YAQKZIBCRNJZEQ-UHFFFAOYSA-N 460.453 5.160 50 10 JKGE N#CC(=Cc1ccc(Br)o1)c1nc(-c2cc3c(ccc4ccccc43)oc2=O)cs1 2296751355 XHOSAJNIHRFYPO-UHFFFAOYSA-N 475.323 6.489 50 10 JKGE Cc1c(Br)csc1[C@H](Cl)c1cc(Br)ccc1OCc1ccccc1 2299497960 YHVCEFOABNPCFS-GOSISDBHSA-N 486.656 7.489 50 10 JKGE Cc1oc(Br)cc1[C@H](Cl)c1ccc(OCc2ccccc2)cc1Br 2299500053 BZANIERTQKXTCA-LJQANCHMSA-N 470.588 7.020 50 10 JKGE CN(CCN(Cc1ccccc1)c1nc(C(F)(F)F)ccc1CBr)Cc1ccccc1 2303762652 YIPGNCIDTOLLJV-UHFFFAOYSA-N 492.383 6.134 50 10 JKGE Cc1cccc(NC(=O)C(C#N)=C2S[C@H](Cc3ccccc3F)C(=O)N2c2ccc(C(C)C)cc2)c1 2314591801 FJGXADPPJJPGLO-AREMUKBSSA-N 499.611 6.323 50 10 JKGE Fc1c(Br)cc(Cl)c([C@H](Br)[C@@H](F)C(F)(F)F)c1Br 2315446476 FYPWWRDGWRPQBW-POYBYMJQSA-N 481.278 6.341 50 10 JKGE Clc1cc(I)c([C@@H](Br)C2CC3(CCCCC3)C2)s1 2316607508 SRFYUXQWKVQGRO-LBPRGKRZSA-N 459.618 6.803 50 10 JKGE FC[C@@]12CC[C@@]([C@@H](Br)c3sc(Cl)cc3I)(CO1)C2 2316770404 NWWCQYWAESXBQH-SRVKXCTJSA-N 465.553 5.351 50 10 JKGE Cc1cc(Br)c(F)c(Br)c1[C@@H](Br)c1cscc1F 2317404513 UESUPEBDCBDIRP-JTQLQIEISA-N 460.963 6.344 50 10 JKGE CCOc1cc(C=NNC(=O)Cc2ccccc2)ccc1OCc1c(Cl)cccc1Cl 2318414889 IAKWBQUPOIDJBP-UHFFFAOYSA-N 457.357 5.664 50 10 JKGE N#CC(=Cc1ccc(OC(=O)c2cc(C(F)(F)F)cc(C(F)(F)F)c2)cc1)c1cccc(Cl)c1 2320506380 IHENGDRNDGRJMO-UHFFFAOYSA-N 495.806 7.661 50 10 JKGE Cc1sc(OCc2ccc(I)c(Br)c2)nc1CCl 2325386414 LYOIYJICQARCER-UHFFFAOYSA-N 458.546 5.136 50 10 JKGE CC(C)C[C@H](NC(=O)OC(C)(C)C)C(=O)NN=Cc1cccc(OCc2ccccc2Cl)c1 2328796600 IMWPYDPBRKMWFY-QFIPXVFZSA-N 474.001 5.309 50 10 JKGE CCOC(=O)c1c(-c2ccc(C(C)C)cc2)csc1NC(=O)C(C#N)=Cc1cccc(F)c1 2329674115 ZZHCWNSPBYNAIG-UHFFFAOYSA-N 462.546 6.400 50 10 JKGE CC[C@@H](C)N1C(=O)c2ccc(C(O)=C(C#N)c3nc(-c4ccc(F)c(F)c4)cs3)cc2C1=O 2331351797 ZSWVMKSESUXTBG-GFCCVEGCSA-N 465.481 5.433 50 10 JKGE COc1cc(C)c(-c2csc(C(C#N)=C(O)Cc3ccc(Br)cc3)n2)cc1C 2331402557 OTJHGGUUNAWSIU-UHFFFAOYSA-N 455.377 6.233 50 10 JKGE COc1ccc(-c2csc(C(C#N)=C(O)c3ccc(N4CCCC4)c([N+](=O)[O-])c3)n2)c2ccccc12 2331408255 OBOZZOLRXONVCN-UHFFFAOYSA-N 498.564 6.430 50 10 JKGE CCOc1ccc(OCC)c(-c2csc(C(C#N)=Cc3ccc(OC(=O)c4ccccc4)cc3)n2)c1 2331470819 NPLBXCLLOVIDDX-UHFFFAOYSA-N 496.588 6.891 50 10 JKGE COc1cc(-c2csc(C(C#N)=Cc3ccc(Br)cc3)n2)c(OC)cc1Cl 2331471863 NHOQZWZXESJAPZ-UHFFFAOYSA-N 461.768 6.307 50 10 JKGE CC(C)(CCCl)c1nnc(-c2ccc(I)c(Br)c2)s1 2337073841 CQYDXOYWRIJVFQ-UHFFFAOYSA-N 471.589 5.479 50 10 JKGE COC[C@]1(C)C[C@H]1[C@H](Br)c1c(Cl)cc(Br)c(F)c1Br 2337089343 XZEOLSNQOJIANO-XQBZDOOFSA-N 479.409 6.113 50 10 JKGE COc1cc([C@@H](Br)c2cscc2OCc2ccccc2)c(OC)cc1Cl 2338232917 YIJYPMKEYOYPDG-HXUWFJFHSA-N 453.785 6.482 50 10 JKGE Cc1cc(Br)c(F)c(Br)c1[C@@H](Br)[C@H]1CCCC1(C)C 2339647343 ZTAZGIRHBJYWHC-SKDRFNHKSA-N 457.019 6.921 50 10 JKGE Cc1cc(Br)c(F)c(Br)c1[C@@H](Br)[C@@H]1C[C@@H]2C[C@@H]2CO1 2339648581 MUJAPGCTFRYBBE-NUODRBITSA-N 456.975 5.520 50 10 JKGE Cc1cc(Br)c(F)c(Br)c1[C@@H](Br)[C@@H]1COC(C)(C)C1 2339654086 PHEQTLMWHWMTAH-KWQFWETISA-N 458.991 5.910 50 10 JKGE Cl[C@H]1CN(Cc2ccc(I)c(Br)c2)C2(CCCC2)C1 2349825900 CTIWUPHMXBLKLT-GFCCVEGCSA-N 454.577 5.180 50 10 JKGE CC[C@H](Br)[C@@H]1CCCCN1Cc1cc(I)ccc1Cl 2352413125 CZGMJUASBFNGFX-ZFWWWQNUSA-N 456.593 5.473 50 10 JKGE BrCc1cc(Br)cc(Br)c1OC[C@H]1O[C@H]2CC[C@H]1C2 2352561586 HVUHFZCNCKOMHG-LJUAHTATSA-N 454.984 5.053 50 10 JKGE Cc1cc(Br)c(C(C)C)cc1[C@@H](Br)c1ccoc1Br 2352793677 QQLLQNOUKBYLCP-AWEZNQCLSA-N 450.996 6.721 50 10 JKGE CC(C)(C)Oc1ccc([C@@H](Br)C2(Br)CCC2)cc1Br 2353075103 XNUJPEWKSVABRV-CYBMUJFWSA-N 455.028 6.380 50 10 JKGE Cc1cc(Br)c([C@H](Br)[C@@H]2[C@@H]3[C@H]2CCCC3(F)F)cc1Br 2355159151 PZSAGVGZIZTGKS-GZBPVQSJSA-N 472.993 6.637 50 10 JKGE C[C@@H]1CCC[C@@]12[C@@H](OCc1cc(I)ccc1Br)C[C@H]2Cl 2367610485 HTMILXQTJWHYCZ-HGGPSHQYSA-N 469.588 5.756 50 10 JKGE FC1(F)C[C@@](CBr)(Cc2cc(I)ccc2Cl)C12CCC2 2380448191 OFUXXIARWCAYBD-CYBMUJFWSA-N 475.542 6.078 50 10 JKGE COc1ccc(/C=N/NC(=O)[C@@H]2[C@@H](C=C(Cl)Cl)C2(C)C)cc1CN1CCCc2ccccc21 3064515 WHQVLYOUPIKJII-AVONYGRDSA-N 486.443 5.689 50 10 JKGE CC(/C=N/NC(=O)CNc1ccc(I)c(C)c1)=C\c1ccc(C(C)C)cc1 33624240 QJIXQLGNCDPQPQ-JSFVNJMUSA-N 475.374 5.340 50 10 JKGE CCCCOc1ccc(-c2nn(-c3ccccc3)cc2/C=C(/C#N)C(=O)NCc2ccco2)cc1 33729699 VERQXXGDOUFOEO-XLNRJJMWSA-N 466.541 5.535 50 10 JKGE C/C(=N\NC(=O)CSc1nnc(SCc2ccccc2Cl)s1)c1ccc([N+](=O)[O-])cc1 34829334 YWTYGPAIARZWQZ-CIAFOILYSA-N 494.023 5.025 50 10 JKGE Cc1ccc(NC(=O)/C(C#N)=C\c2cn(-c3ccccc3)nc2C23CC4CC(CC(C4)C2)C3)cc1 35447038 YGVHJTIBZMZITD-OYKKKHCWSA-N 462.597 6.194 50 10 JKGE N#C/C(=C\c1cn(-c2ccccc2)nc1-c1ccc(Cl)cc1)c1nc(O)c2cc(Cl)ccc2n1 35518797 RIBMQGIFKMKAHO-SFQUDFHCSA-N 484.346 6.559 50 10 JKGE COc1ccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)Cc4cccc5ccccc45)ccc32)c(OC)c1 38657049 QGHVSKPEIGLBSR-LJAQVGFWSA-N 492.531 5.223 50 10 JKGE N#C/C(=C\c1ccc(-c2ccc(Cl)c(Cl)c2)o1)C(=O)Nc1ccc(OC(F)(F)F)cc1 39884770 QPZOREVZIVCENS-UKTHLTGXSA-N 467.230 6.698 50 10 JKGE Cc1cc(OC(=O)c2oc3c(c2C)/C(=N/NC(=O)c2ccc(F)cc2)CCC3)cc(C)c1Cl 40811977 OONUZNFXJNXWEM-TURZUDJPSA-N 468.912 5.687 50 10 JKGE Cc1cc(OC(=O)c2oc3c(c2C)/C(=N/NC(=O)c2cccc([N+](=O)[O-])c2)CCC3)ccc1Cl 40813091 KQRLQXGPVSUBAL-LGUFXXKBSA-N 481.892 5.148 50 10 JKGE O=C(CC[C@@H](O)c1ccccc1)N/N=C\c1cc(Br)ccc1OCc1cccc(F)c1 58892486 MYZAEHGUWXGLKJ-RJNBOEKGSA-N 485.353 5.131 50 10 JKGE C=CCc1cc(/C=N\NC(=O)CC[C@H](O)c2ccc(OCC)cc2)ccc1OCc1ccccc1F 58895086 PUZFBMGEFKPHJM-XTYFKDDUSA-N 490.575 5.496 50 10 JKGE O=C(CCc1ccccc1)N/N=C1/C(=O)N(C(c2ccccc2)c2ccccc2)c2ccccc21 59161332 BTLWEZPKRVGHSG-VEWQFJOQSA-N 459.549 5.276 50 10 JKGE CCOc1cc(/C=C(/C#N)C(=O)Nc2cccc(Cl)c2Cl)cc(Br)c1OCC 59336453 DETHROKUUQNFOC-JYRVWZFOSA-N 484.177 6.099 50 10 JKGE CCCCc1ccc(NC(=O)/C(C#N)=C/c2ccc(OCC)c(OC)c2)c(Br)c1 64985650 BEFDAKUXWCXSCH-LDADJPATSA-N 457.368 5.745 50 10 JKGE Cc1ccc(NC(=O)/C(C#N)=C/c2ccc(Cl)cc2)cc1Nc1nccc(-c2cccnc2)n1 91351725 JSJVLMKHGRPMMV-DEDYPNTBSA-N 466.932 5.790 50 10 JKGE CCCCCCCc1ccc(C(=O)Oc2ccc(/C=N/NC(=O)c3ccc(OC)cc3)c(O)c2)cc1 100165756 UAPLUZVEWHNVMZ-TWKHWXDSSA-N 488.584 5.897 50 10 JKGE CC(C)(C)C1C[C@@H](P(c2ccccc2)c2ccccc2)[C@H](P(c2ccccc2)c2ccccc2)C1 102395488 QOTYJAZVQBAJTA-ROJLCIKYSA-N 494.599 7.446 50 10 JKGE COc1cc(Br)c(O[C@@H]2C[C@@H](Br)C23CCCC3)cc1Br 118819540 UJZYEKSKOASFJO-ZIAGYGMSSA-N 469.011 5.695 50 10 JKGE Cc1nn(C)c(CC(CBr)(CBr)c2ccccc2Cl)c1Cl 118878026 XSRVARUKIALSHF-UHFFFAOYSA-N 455.021 5.306 50 10 JKGE CC(C)(C)C1CCC([C@H](Br)c2cc(Br)c(Br)s2)CC1 128284840 IMEIJCNDGOQGOV-ZPPKWKGLSA-N 473.112 7.562 50 10 JKGE CCn1nc(C)c(Br)c1COc1c(C)cc(Br)cc1CBr 167024622 OUEXJMSEJBACHQ-UHFFFAOYSA-N 481.026 5.519 50 10 JKGE COc1ccc(N(C(=O)CCl)[C@H](C(=O)N[C@H]2CCCC[C@@H]2C)c2ccc(Cl)cc2)cc1 169691478 NUEHDRUECPZKTP-YROCYRMSSA-N 463.405 5.357 50 10 JKGE CCOc1cc(/C=N\NC(=O)Nc2ccc(Cl)cc2)ccc1OCc1cc(C)ccc1C 169939777 LQTMKDAUXPPFJV-DICXZTSXSA-N 451.954 6.090 50 10 JKGE Cc1cc(I)ccc1N/C=C(/C#N)C(=O)N[C@@H](C)C12CC3CC(CC(C3)C1)C2 217038058 YWCXVCODGPDWCK-ABMGTTLASA-N 489.401 5.140 50 10 JKGE Cc1cc(F)c([C@H](Br)c2cc(Cl)ccc2I)cc1F 235923594 ZIAFGFIVEGVYLP-AWEZNQCLSA-N 457.483 6.016 50 10 JKGE CCOC(=O)NN=C1C=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 254294338 ZGBFIPQSPKDRKC-ILLFUWOBSA-N 454.655 6.427 50 10 JKGE Cc1ccc(C(=O)NN=Cc2cc(-c3ccccc3)n(-c3ccc(C)cc3)c2-c2ccccc2)cc1 254346984 DBCKPQBBOVNOLH-UHFFFAOYSA-N 469.588 7.192 50 10 JKGE CCCCOc1ccc(-c2cc(C(=O)NN=Cc3cn(CC)nc3C)c3ccccc3n2)cc1 254441803 OKHCPIVKRXUTKK-UHFFFAOYSA-N 455.562 5.369 50 10 JKGE CC(C)(C)c1ccc(OCC(=O)NN=Cc2ccc(OC(=O)c3ccc(C(C)(C)C)cc3)cc2)cc1 254485659 JKCHFNLDDRYHIO-UHFFFAOYSA-N 486.612 6.030 50 10 JKGE COc1ccc2ccccc2c1-c1cc(C(=O)NN=Cc2c3ccccc3cc3ccccc23)[nH]n1 254737288 ATOPZKAOIFGEAZ-UHFFFAOYSA-N 470.532 6.309 50 10 JKGE O=C(OCc1ccccc1)N1C[C@H](CI)[C@H](c2ccc(F)cc2Cl)C1 382686165 FVXPEDWPTAPFQC-WMLDXEAASA-N 473.713 5.266 50 10 JKGE C[C@@]1(Cn2c(CCCl)nc3cc(I)ccc32)CCCN1Cc1ccccc1 398048503 DEHASOMZBCPILD-QFIPXVFZSA-N 493.820 5.477 50 10 JKGE BrCC(CBr)(CC[C@@H]1CCOC1)c1ccc(Br)cc1 400528942 AHYNDZQSBSXTCM-GFCCVEGCSA-N 455.028 5.293 50 10 JKGE C[C@H](CC(F)(F)F)CC(CBr)(CBr)c1ccccc1Br 402925559 JQNVNGXKQKWSTK-JTQLQIEISA-N 480.988 6.455 50 10 JKGE Fc1cc(Br)c([C@H](Br)c2ncsc2Br)c(F)c1F 698680393 GFXXDMPNDJTBGK-LURJTMIESA-N 465.914 5.570 50 10 JKGE Cc1cc(C(=O)O)ccc1-c1ccc(C=NNC(=O)c2cc3cc(Br)ccc3o2)o1 1082936820 TUDCLACHNGBLFQ-UHFFFAOYSA-N 467.275 5.226 50 10 JKGE COc1cc(C=NNC(=O)c2ccco2)cc(Br)c1OCc1ccc(Cl)cc1Cl 1083956772 ZQXGBSPXGGJYTQ-UHFFFAOYSA-N 498.160 5.700 50 10 JKGE O=C(NN=Cc1ccccc1OCc1ccc(Cl)c(Cl)c1)c1ccccc1Br 1083995762 MNSNOXBRCCQBAD-UHFFFAOYSA-N 478.173 6.099 50 10 JKGE CCOc1cc(C=NNC(=O)CSCc2cc(C)cc(C)c2)ccc1OCc1ccc(Cl)cc1 1084162900 GTOSBSKQIRTEPJ-UHFFFAOYSA-N 497.060 6.318 50 10 JKGE COc1ccc(C=NNC(=O)C(c2ccccc2)c2ccccc2)cc1COc1ccc(F)cc1 1084566664 CEQLDOZQLASBFQ-UHFFFAOYSA-N 468.528 5.696 50 10 JKGE N#CC1=NN(c2ccc(Cl)cc2)[C@H](c2ccccc2)C2=C1OC(N)=C(C#N)[C@@H]2c1ccccc1 1088670228 QBWALGKCKNWJBH-UKILVPOCSA-N 463.928 5.543 50 10 JKGE O=C(OCc1ccccc1)N1C[C@@H](CI)[C@H](c2cccc(C(F)(F)F)c2)C1 1614811939 QYHYQMVBALMLLB-AEFFLSMTSA-N 489.275 5.493 50 10 JKGE Cc1c(Cl)cccc1NC(=O)c1oc2c(c1C)C(=NNC(=O)c1ccc3ccccc3n1)CCC2 1772751711 WXEYKLJPRXMSHR-UHFFFAOYSA-N 486.959 5.821 50 10 JKGE Cc1ccc(C)c(OCC(=O)NN=Cc2cc(Br)ccc2OCc2ccccc2)c1C 1772753446 HSOYZRKISOVRHQ-UHFFFAOYSA-N 481.390 5.482 50 10 JKGE COc1ccccc1OCC(=O)NN=Cc1ccc(OCc2c(Cl)cccc2Cl)c(OC)c1 1772754514 XJXDXMXHKMLODT-UHFFFAOYSA-N 489.355 5.119 50 10 JKGE N#CC1=C(N)Oc2c(c(-c3ccccc3)nn2Cc2ccccc2F)[C@H]1c1cccc(Cl)c1 1865683177 IAAVNUAVRABJRD-QFIPXVFZSA-N 456.908 5.609 50 10 JKGE CCCCCOc1ccc([C@@H]2C(C#N)=C(N)Oc3c2c(-c2ccccc2)nn3CC(C)C)cc1OC 1865695331 NSFPVCDMXUCNPN-RUZDIDTESA-N 486.616 6.002 50 10 JKGE CCCCCCOc1ccc([C@@H]2C(C#N)=C(N)Oc3c2c(C)nn3-c2cccc(Cl)c2)cc1OC 1865695717 GUZZPWGMIWEKKZ-RUZDIDTESA-N 493.007 6.020 50 10 JKGE COc1ccc(-c2nn(-c3cccc(Cl)c3)c3c2[C@H](c2cccs2)C(C#N)=C(N)O3)cc1 1865697800 CCHVSOFSVJKKDA-FQEVSTJZSA-N 460.946 5.481 50 10 JKGE CCCc1nn(-c2cccc3ccccc23)c2c1[C@H](c1cccc([N+](=O)[O-])c1)C(C#N)=C(N)O2 1865706418 WGSPFZMYTMWBKW-HSZRJFAPSA-N 451.486 5.104 50 10 JKGE COc1ccc(-c2nn(-c3ccccc3Cl)c3c2[C@H](c2ccccc2OC)C(C#N)=C(N)O3)cc1 1865710058 NLRLEQZBUUUXBU-HSZRJFAPSA-N 484.943 5.428 50 10 JKGE Cc1ccc(-c2ccc(C(=O)NNC(=O)/C=C/c3ccc(OCc4ccccc4)cc3)c(C)n2)cc1 1865757792 UZGAANQOSNJARW-XDHOZWIPSA-N 477.564 5.419 50 10 JKGE Cc1nc(C2CCN(c3cc(Nc4ccc(SC#N)cc4)nc(Cc4ccccc4)n3)CC2)nn1C 1868207227 KGZFUIYGUXHITO-UHFFFAOYSA-N 496.644 5.205 50 10 JKGE CC(C)c1nc(Nc2ccc(SC#N)cc2)cc(N2CCc3ccccc3[C@@H]2c2cccc(F)c2)n1 1868231587 LPFCJLJZYNNPQK-NDEPHWFRSA-N 495.627 7.208 50 10 JKGE CCCCc1ccc(-c2csc(/C(C#N)=C(\O)[C@@H]3CC(=O)N([C@@H](C)c4ccccc4)C3)n2)cc1 1872744873 MLSCTQKRUWYZBP-NQLWDYDVSA-N 471.626 6.555 50 10 JKGE CC(C)c1ccc(-c2csc(/C(C#N)=C(\O)[C@H]3CC(=O)N([C@@H](C)c4ccccc4)C3)n2)cc1 1872752242 STXQPLPMALNOBT-CSTSXXNVSA-N 457.599 6.336 50 10 JKGE O=C(N[C@@H](CBr)[C@H]1CC=CCC1)c1csc(Br)c1Br 1885064692 OKMHSODPPGWUHB-WPRPVWTQSA-N 472.040 5.123 50 10 JKGE C[C@@H](CCCl)N(Cc1ccccc1)C(=O)c1csc(Br)c1Br 1915084883 SOFFHJKCCSPMOZ-NSHDSACASA-N 465.638 5.933 50 10 JKGE Cc1c(Br)sc([C@@H](Br)C(C(F)(F)F)C(F)(F)F)c1Br 1922880933 GSBIVZKBNMEMRV-SCSAIBSYSA-N 498.906 6.758 50 10 JKGE Cl[C@H](c1csc(Br)c1)c1sc(Br)cc1Br 1922922258 ZVPCLORAXQHQRP-MRVPVSSYSA-N 451.430 6.425 50 10 JKGE COc1cccc([C@H](Br)c2c(Br)sc(Br)c2Cl)c1F 1923047481 CADASJGMHQTKEQ-QMMMGPOBSA-N 493.417 6.559 50 10 JKGE FC1(F)CCC[C@@H]1[C@H](Br)c1c(Br)sc(Br)c1Cl 1923050515 WGKQOTCDQCYMIA-XINAWCOVSA-N 473.402 6.798 50 10 JKGE Fc1ccc(F)c([C@@H](Br)c2c(Br)sc(Br)c2Cl)c1F 1923061494 LFABKVQAAPFBIL-SSDOTTSWSA-N 499.371 6.828 50 10 JKGE Cl[C@H](CC1CCCCC1)c1c(Br)sc(Br)c1Br 1924583869 QCNFSIUDJYDYHW-MRVPVSSYSA-N 465.476 7.286 50 10 JKGE CCC1CCC([C@H](Cl)c2c(Br)sc(Br)c2Br)CC1 1924590148 HSHXSFQCTVJFLS-AYVLWNQUSA-N 479.503 7.532 50 10 JKGE C[C@@H]1COc2ccc([C@H](Cl)c3ccc(I)c(Br)c3)cc21 1925680526 UHTYYHISETVKQJ-ABKXIKBNSA-N 463.540 5.878 50 10 JKGE C[C@@H]1COc2ccc([C@@H](Br)c3ccc(Br)cc3Br)cc21 1925758714 YEMVWOKMEBGZAX-JDNHERCYSA-N 460.991 6.192 50 10 JKGE FC(F)(F)C1CC([C@@H](Br)c2c(Br)sc(Br)c2Cl)C1 2037018437 AHPMRIOVQUYFAI-BBZZFXJRSA-N 491.392 6.951 50 10 JKGE Cc1sccc1COc1c(Br)cc(CBr)cc1Br 2039921768 VCGHEWSNHRDCCO-UHFFFAOYSA-N 455.009 6.055 50 10 JKGE Cc1cc(Br)c(CBr)c(N(C)C2CCN(Cc3ccccc3)CC2)c1 2053201935 FVELUAGAKANABH-UHFFFAOYSA-N 466.261 5.753 50 10 JKGE CCc1nn(C)c([C@H](Cl)c2cc(Br)c(Br)s2)c1Br 2072302534 LQHWOPKFYGUDNZ-SECBINFHSA-N 477.447 5.660 50 10 JKGE Fc1ccc(C[C@@H](Br)c2cccc(Br)c2Br)cc1F 2092334041 FKPBUAFZSQGUIK-LLVKDONJSA-N 454.934 6.169 50 10 JKGE CN(CCN(Cc1ccccc1)Cc1ccc(-c2nc(CCl)cs2)cc1)Cc1ccccc1 2095878668 BQYFWOFGENPANO-UHFFFAOYSA-N 476.089 6.683 50 10 JKGE Fc1cccc(Oc2c(CBr)ccc(Br)c2Cl)c1Br 2098111599 SCZIFMCDTKTPIE-UHFFFAOYSA-N 473.361 6.691 50 10 JKGE COCc1cc(Br)c([C@H](Cl)c2cc(I)ccc2F)s1 2113352195 YIQKYCYXXWBMIA-GFCCVEGCSA-N 475.548 5.729 50 10 JKGE CO[C@H]1C[C@H]([C@H](Br)c2sc(Br)c(C)c2Br)C[C@H]1OC 2118266566 DUHHESGYYMESIN-CKEKPRIKSA-N 477.056 5.458 50 10 JKGE Cc1cc(Br)c(C)c([C@H](Br)[C@@]2(C)CCCCO2)c1Br 2136383558 ZBIRAAWGMUXDAB-LSDHHAIUSA-N 455.028 6.224 50 10 JKGE CCC[C@H]1CN(Cc2c(Br)cccc2Br)C[C@H]1CBr 2140787974 PAXRRCBZCFRZMY-NWDGAFQWSA-N 454.044 5.455 50 10 JKGE Cc1nscc1CC(CBr)(CBr)c1ccc(Br)cc1 2140874828 HGQSRYIEYDQBNV-UHFFFAOYSA-N 468.052 5.484 50 10 JKGE CCn1cc(COc2c(Br)cc(Br)cc2CBr)c(C)n1 2143442690 FHFZMVYVSBXRRC-UHFFFAOYSA-N 466.999 5.210 50 10 JKGE Cc1cc(Br)ccc1[C@@H](Br)c1cc(Br)c2c(c1)CCO2 2146627852 LPVRABFBZLMVIM-HNNXBMFYSA-N 460.991 5.939 50 10 JKGE C[C@H](Cl)c1nc2cc(Br)c(Cl)cc2n1[C@@]12C[C@H]1CN(Cc1ccccc1)C2 2160060303 HMMALLOMNSOLON-XLDJFRKUSA-N 465.222 5.983 50 10 JKGE Cn1nc([C@@H](Br)c2c(Br)cc(F)c(F)c2F)c(Br)c1Cl 2167041468 DETGPZPURABLPG-LURJTMIESA-N 497.334 5.500 50 10 JKGE O=C(c1cc(Br)ccc1Br)N(CCBr)Cc1ccsc1 2171085172 KRQIZJMFGBZQMN-UHFFFAOYSA-N 482.035 5.310 50 10 JKGE Cc1cc(Br)c(CBr)c(N2CC[C@@]3(CCCN(Cc4ccccc4)C3)C2)c1 2173450122 NMHUVXZAGIWKPZ-HSZRJFAPSA-N 492.299 6.145 50 10 JKGE Cc1cc(Br)c([C@@H](Br)C2C[C@H]3COC[C@H](C2)C3)cc1Br 2206755554 OYSOWYRWXZWZNF-MMPTUQATSA-N 467.039 6.019 50 10 JKGE COc1cc(F)c(F)cc1[C@@H](Br)c1ccc(I)c(C)c1 2207095041 AJYPBJGOISQWLQ-HNNXBMFYSA-N 453.064 5.371 50 10 JKGE C[C@@H](Br)CCc1sc(Br)c(Br)c1Br 2209348462 BDZDCCXSMMGTKP-SCSAIBSYSA-N 455.835 5.752 50 10 JKGE Cc1sc(Br)c(C)c1[C@@H](Br)c1sccc1I 2210558192 FBTDEKYKKALLIT-SECBINFHSA-N 492.039 6.278 50 10 JKGE CC(C)[C@H](CCl)N(Cc1ccccc1)S(=O)(=O)Cc1ccsc1Br 2213760943 NKPUBMIAKDWWAD-INIZCTEOSA-N 450.851 5.106 50 10 JKGE Cc1c(Br)sc([C@H](Br)C2(C)CC3(CCC3)C2)c1Br 2221001706 ITFPFMARPZGTIB-NSHDSACASA-N 457.069 6.988 50 10 JKGE F[C@@H]1CCC[C@H]([C@H](Br)c2c(Br)cc(Cl)c(Cl)c2Cl)C1 2224319574 GCOSROJXASLWAZ-CVJICSNFSA-N 453.404 7.374 50 10 JKGE Cc1cc(Br)c([C@@H](Br)c2ccccc2OCc2ccccc2)c(C)c1Cl 2224321621 MIRIFRYBPIHCMR-NRFANRHFSA-N 494.654 7.783 50 10 JKGE COc1cc([C@@H](Br)c2c(C)sc(Br)c2C)ccc1Br 2225867267 PUPZAEFNTUXIND-CYBMUJFWSA-N 469.036 6.383 50 10 JKGE Cc1cc(Br)c([C@H](Br)C2(CC(C)C)CC2)c(C)c1Br 2227352361 BZXCYCWMHKRENE-HNNXBMFYSA-N 453.056 7.091 50 10 JKGE Cc1ccc(I)c([C@@H](Br)c2cc(Cl)c(C)cc2Cl)c1 2232223442 PJHMTJGPBNAMRI-HNNXBMFYSA-N 469.975 6.699 50 10 JKGE C[C@H](C[C@@H](Br)c1c(Br)cc(Cl)c(Cl)c1Cl)CC(C)(C)C 2232515112 YYAIYLJETLAPCQ-RKDXNWHRSA-N 465.484 8.308 50 10 JKGE C[C@@H]1C[C@@H]2C[C@@H]2C[C@H]1[C@H](Br)c1c(Br)cc(Cl)c(Cl)c1Cl 2232520394 OMAMVAPKPBKKAG-OJMIUMIFSA-N 461.452 7.528 50 10 JKGE C[C@@H]1CN(Cc2ccccc2)CC[C@H]1n1c(CCl)nc2c(F)cc(Br)cc21 2232931586 WKWQFGVILUIPFA-RDTXWAMCSA-N 450.783 5.760 50 10 JKGE Cc1cc(Br)c([C@H](Br)[C@H]2C[C@H]3CCC[C@H](C3)C2)cc1Br 2233658761 YBHNLHMSVQMWLW-IPJQOSJUSA-N 465.067 7.172 50 10 JKGE Cc1sc([C@H](Cl)c2cc(I)cc3c2OCC3)c(Br)c1C 2237630608 XZHCOPHEBMPARL-CYBMUJFWSA-N 483.596 5.995 50 10 JKGE Brc1ccc(CN2C[C@H](Br)CC23CCCCC3)c(Br)c1 2241053844 GIRKGNSGADPHAN-CQSZACIVSA-N 466.055 5.884 50 10 JKGE COC[C@]1(C)C[C@@H]1[C@@H](Cl)c1c(Br)sc(Br)c1Br 2248733477 IMWKXRYUBHOKLH-MEQXXCBNSA-N 467.448 5.988 50 10 JKGE COc1cccc([C@@H](Br)c2sc(Br)c(C)c2Br)c1Cl 2268274682 FCQJKYKWTCUFGE-SNVBAGLBSA-N 489.454 6.728 50 10 JKGE COc1ccc([C@@H](Br)c2cc(C)cc(Br)c2)cc1I 2269554107 DIEBTDGFRQDUKC-OAHLLOKOSA-N 495.980 5.855 50 10 JKGE COc1cc(Cl)c(Cl)cc1[C@@H](Cl)c1cc(Br)ccc1Br 2279045790 FCOZRLWZWASYEA-AWEZNQCLSA-N 459.392 6.855 50 10 JKGE COc1cc(Cl)c(Cl)cc1[C@H](Br)c1cc(Cl)ccc1Br 2279058549 VQPNMCSVBVVPBU-CQSZACIVSA-N 459.392 6.902 50 10 JKGE Fc1cc(Br)c(Br)cc1[C@H](Br)[C@H]1CC(F)(F)C12CCC2 2280857367 NXWUXWSRBKXBAZ-PELKAZGASA-N 476.956 6.612 50 10 JKGE FC(F)[C@H]1CCC[C@H]1COc1c(Br)cc(CBr)cc1Br 2285557699 HFJZZWJFSBVLPM-UWVGGRQHSA-N 476.981 6.167 50 10 JKGE Fc1cc(Br)c(F)c(Br)c1[C@@H](Br)C1CCCCCCC1 2288374840 XRBZHLWKYSFLIP-ZDUSSCGKSA-N 475.009 7.286 50 10 JKGE COC(=O)c1c(NC(=O)C(C#N)=Cc2ccc(-c3ccc([N+](=O)[O-])cc3Cl)o2)sc(C)c1C 2293039014 TWEQVPMZQGMVRB-UHFFFAOYSA-N 485.905 5.519 50 10 JKGE C=CCc1ccc(OCCOc2ccccc2C=C(C#N)C(=O)Nc2ccc(C)cc2)c(OC)c1 2293512381 ZWEVSFUCNYUPDY-UHFFFAOYSA-N 468.553 5.736 50 10 JKGE COc1cc(Cl)c([C@@H](Cl)c2cc(Br)sc2Br)c(OC)c1 2294906748 FJVZCWMTNMUGNL-LBPRGKRZSA-N 461.002 6.272 50 10 JKGE COc1c(Br)cc(Cl)c(C)c1[C@@H](Br)c1nn(C)cc1Br 2295264405 FKIDDMOEDBSARD-LLVKDONJSA-N 487.417 5.400 50 10 JKGE Cc1cc(-c2nn(-c3ccccc3)cc2C=C(C#N)C(=O)NCc2ccco2)ccc1OC(C)C 2296703393 CPYZOZNVDDNGHR-UHFFFAOYSA-N 466.541 5.451 50 10 JKGE CCCOc1ccc(-c2nn(-c3ccccc3)cc2C=C(C#N)C(=O)N[C@@H](C)c2ccccc2)cc1C 2296730299 SBFQQMZOTFKDDI-QHCPKHFHSA-N 490.607 6.421 50 10 JKGE COc1cc(CN(Cc2ccccc2)[C@@H](CBr)C(C)C)c(Br)cn1 2300090614 YTRQTKZBLOBFGQ-SFHVURJKSA-N 456.222 5.274 50 10 JKGE CCN(C[C@](C)(CI)O[C@@H]1CCCC[C@H]2C[C@@H]21)C(=O)OC(C)(C)C 2302674134 YTOMMIJJTWSQLD-GGXPGOJBSA-N 451.389 5.032 50 10 JKGE CC[C@H](C[C@@H](C)Br)NCc1ccc(I)c(Br)c1 2306220897 AUXSGMZDKOIJJI-MWLCHTKSSA-N 475.006 5.095 50 10 JKGE COc1cc(C=C(C#N)C(=O)Nc2ccccc2Cl)cc(Br)c1OCc1ccccc1 2313519039 VQAGSRRAUZBXGY-UHFFFAOYSA-N 497.776 6.236 50 10 JKGE N#CC(=Cc1ccc(-c2c(Cl)cccc2Cl)o1)C(=O)Nc1ccc(Cl)cc1Cl 2314572224 WHDKXWFWHBHIJU-UHFFFAOYSA-N 452.124 7.106 50 10 JKGE COc1ccc(N2C(=O)[C@@H](Cc3ccccc3)SC2=C(C#N)C(=O)Nc2cccc(C)c2)cc1 2314592432 TUPCGKDUCDKENY-XMMPIXPASA-N 469.566 5.069 50 10 JKGE CC1=C(C#N)C(=O)N([C@H](C)c2ccccc2)C(=O)C1=Cc1cn(-c2ccccc2)nc1-c1ccc(C)cc1 2314618863 VRCYMFXHYWFGQH-HSZRJFAPSA-N 498.586 6.201 50 10 JKGE CSc1ccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)C=Cc4ccc(C(C)(C)C)cc4)ccc32)cc1 2314634362 IFOYSLOZVVQVJS-NDEPHWFRSA-N 496.632 6.543 50 10 JKGE CCOC(=O)C(C#N)=Cc1cccc(OC(=O)COc2ccc(Br)cc2C(C)(C)C)c1 2314760287 JLROTZAPHJFWID-UHFFFAOYSA-N 486.362 5.201 50 10 JKGE CCc1sc(Br)cc1[C@@H](Cl)c1c(Br)c(Br)nn1C 2316724972 DQXZENLGXPUROX-SECBINFHSA-N 477.447 5.660 50 10 JKGE CC(C)Oc1c(Br)cc(C=NNC(=O)Nc2ccccc2)cc1Br 2323064987 JNEGOCQODFMTHH-UHFFFAOYSA-N 455.150 5.154 50 10 JKGE CN(Cc1ccc(I)c(Br)c1)C1CCC(Br)CC1 2325220025 DGVMBFXRQGTWEC-UHFFFAOYSA-N 487.017 5.192 50 10 JKGE CCCCCCCCCOc1ccc(C=NNC(=O)[C@@H](NC(=O)OC(C)(C)C)C(C)C)c(Cl)c1 2328833308 MICBZHOQQDEMID-QHCPKHFHSA-N 496.092 6.469 50 10 JKGE N#CC(=Cc1ccc(N2N=C(c3ccccc3)C[C@@H]2c2ccccc2)cc1)c1ncccc1[N+](=O)[O-] 2331059543 OHZUWFROIPROHK-MUUNZHRXSA-N 471.520 6.410 50 10 JKGE CCOc1cc(C(O)=C(C#N)c2nc(-c3ccc(C)cc3C)cs2)cc(OCC)c1OCC 2331309130 ZIKNKTMQHFVOJN-UHFFFAOYSA-N 464.587 6.573 50 10 JKGE COc1ccc(C(C)(C)C)cc1-c1csc(C(C#N)=C(O)CCc2ccc(Cl)cc2)n1 2331351026 KSTBCZZDNTVSJT-UHFFFAOYSA-N 453.007 7.195 50 10 JKGE CCOc1cc(C(O)=C(C#N)c2nc(-c3cc(C)cc(C)c3OC)cs2)cc(OCC)c1OCC 2331371880 NHVRPHFYKUKCBO-UHFFFAOYSA-N 494.613 6.582 50 10 JKGE CCCCCCOc1ccc(C(O)=C(C#N)c2nc(-c3cc(OC)c(Cl)cc3OC)cs2)cc1 2331376848 CSLJHAWUKYZURS-UHFFFAOYSA-N 499.032 7.390 50 10 JKGE COc1c(C)cc(Cl)cc1-c1csc(C(C#N)=C(O)Cc2ccc(Cl)c(Cl)c2)n1 2331392068 MLWDUHZGJMBLKH-UHFFFAOYSA-N 465.789 7.123 50 10 JKGE COc1ccc(-c2csc(C(C#N)=C(O)[C@H](C)Oc3ccccc3C(C)C)n2)cc1Cl 2331398321 HMDGHAQUNIEARA-HNNXBMFYSA-N 454.979 6.856 50 10 JKGE COc1ccc(-c2csc(C(C#N)=C(O)[C@@H](C)Oc3ccc(C(C)C)cc3)n2)c2ccccc12 2331406390 HZDVPWFFAUDHGE-GOSISDBHSA-N 470.594 7.355 50 10 JKGE CCOc1cc(C=C(C#N)c2nc(-c3cccc(OC)c3)cs2)ccc1OCc1ccc(C)cc1 2331418077 DVXYXXUYAIAGSX-UHFFFAOYSA-N 482.605 7.169 50 10 JKGE CCc1nnsc1COc1c(Br)cc(Br)cc1CBr 2335910648 WHRIRTKMWXVFBM-UHFFFAOYSA-N 471.012 5.099 50 10 JKGE COC1(C[C@H](Br)c2c(C)cc(Br)c(F)c2Br)CCC1 2339647104 XYZFVCQDQYDRBG-JTQLQIEISA-N 458.991 6.054 50 10 JKGE Cc1cc(Br)c(F)c(Br)c1[C@H](Cl)c1cn(C)c(Br)n1 2339653431 JDTFTGKHVHRPPX-SNVBAGLBSA-N 475.381 5.483 50 10 JKGE COc1c(F)cc([C@H](Br)c2cc(Br)c(Br)s2)cc1F 2344312630 PYJPNJPUCGCFHR-JTQLQIEISA-N 476.962 6.044 50 10 JKGE CC1(C)CC[C@H](CCl)N(Cc2ccc(I)c(Br)c2)C1 2349825284 CFOOQBHAGHFNRD-GFCCVEGCSA-N 456.593 5.283 50 10 JKGE ClC[C@H](Cc1ccc(I)c(Br)c1)C1CCCCCC1 2349842284 NGUSEUQBZFBSTM-AWEZNQCLSA-N 455.605 6.422 50 10 JKGE C[C@]1(C(F)(F)F)C[C@]1(CCl)Cc1ccc(I)c(Br)c1 2349863859 CAWMCQNTIVTUGZ-RYUDHWBXSA-N 467.494 5.794 50 10 JKGE Brc1ccc(OCc2ccccc2)c([C@H](Br)C23CC4CC(CC(C4)C2)C3)c1 2361179160 UDISFYIATBVZPB-HKJGYYKBSA-N 490.279 7.681 50 10 JKGE Brc1ccc(OCc2ccccc2)c([C@H](Br)[C@@H]2C[C@@H]3CCCCCC[C@H]32)c1 2361191635 SCVTUIWFXNRBJZ-RPLOAYLJSA-N 492.295 8.071 50 10 JKGE C[C@@H]1CCC[C@]12[C@@H](Br)C[C@@H]2OCc1cc(Br)cc(Br)c1 2362239194 LCTYYZICFDQCGI-GCUJQHFUSA-N 467.039 6.070 50 10 JKGE COc1c(Br)cc(C)c([C@@H](Br)[C@@H]2[C@H]3CCCO[C@H]32)c1Br 2365216077 QMUVXRCQDYKTTO-MPNPMHGUSA-N 469.011 5.390 50 10 JKGE Clc1ccc(CN2CCC3(CC[C@@H](Br)C3)CC2)c(I)c1 2366721220 IDKTVCUKFNMXCT-CYBMUJFWSA-N 468.604 5.474 50 10 JKGE COc1cccc(C[C@H]2S/C(=C(\C#N)C(=O)Nc3ccc(C)cc3)N(c3ccc(C)cc3)C2=O)c1 2264482 XYHFKKGQIDSLSC-NJEMLTPYSA-N 483.593 5.377 50 10 JKGE CCOc1ccccc1N/C(SCc1ccc(C)cc1C)=C(/C#N)C(=O)NCc1ccccc1 3052487 MXITWQFKPQWWGS-ZZIIXHQDSA-N 471.626 6.099 50 10 JKGE CCc1ccc([C@@H]2C(C#N)=C(N)N(c3cc(Cl)cc(Cl)c3)C3=C2C(=O)CC(C)(C)C3)s1 6284026 AKERDJYFXOITLC-NRFANRHFSA-N 472.441 6.558 50 10 JKGE Cc1ccc2nc(N(/N=C/c3ccc(F)cc3)C(=O)c3cccc(N4C(=O)CCC4=O)c3)sc2c1 9628811 FRCGMTHYDRVHGK-RWPZCVJISA-N 486.528 5.078 50 10 JKGE N#C/C(C(=O)N1CCCCC1)=C1\S[C@@H](Cc2cc(Cl)ccc2Cl)C(=O)N1c1ccccc1 12273757 BXIOCOIJGFEVJU-WGHBEHPSSA-N 486.424 5.432 50 10 JKGE Cc1ccc(C)c(N2C(=O)CS[C@@H]2c2cccc(NC(=O)[C@H](Cl)c3ccccc3)c2)c1 35910800 UNNHFTJYUHYBIP-ILBGXUMGSA-N 450.991 6.001 50 10 JKGE Cc1cccc(N2C(=O)CS[C@@H]2c2ccc(NC(=O)[C@@H](Cl)c3ccccc3)cc2)c1C 35927176 CCIMRFDAEUYZSW-UKILVPOCSA-N 450.991 6.001 50 10 JKGE Cc1cc(Cl)ccc1OCC(=O)Oc1ccc2c(c1)OC(N)=C(C#N)[C@H]2c1cccc(Cl)c1 38651240 BUVQKLKLTFKAJN-DEOSSOPVSA-N 481.335 5.504 50 10 JKGE CCOc1ccc(C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@H]3c2ccc(Br)cc2)cc1 38651635 NWDHYFTVFWRJJC-QHCPKHFHSA-N 491.341 5.285 50 10 JKGE CCCOc1ccccc1[C@H]1C(C#N)=C(N)Oc2cc(OC(=O)c3cccc(OCC)c3)ccc21 38681722 IUOBPDKIQLNACX-AREMUKBSSA-N 470.525 5.311 50 10 JKGE CC(C)CCOc1cccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4ccccc4F)ccc32)c1 38684707 YQWSNXMCXQIVIY-AREMUKBSSA-N 472.516 5.688 50 10 JKGE CCOc1ccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)COc4ccc(Cl)c(C)c4)ccc32)cc1 38685868 NYXNDNUVMPXCEW-SANMLTNESA-N 490.943 5.250 50 10 JKGE Cc1ccccc1NC(=O)c1oc2c(c1C)/C(=N/NC(=O)c1ccc(-c3ccccc3)cc1)CCC2 40822729 IWYGHGZTTHADKH-WGPBWIAQSA-N 477.564 6.286 50 10 JKGE C[C@H](Oc1ccc(-c2ccccc2)cc1)C(=O)N/N=C/c1ccc(OCc2ccccc2Cl)cc1 40959551 BCDNGRBIGXAWAH-ABMUTNKWSA-N 484.983 6.504 50 10 JKGE CCOc1cc(/C=N\NC(=O)CC[C@@H](O)c2ccccc2)cc(Cl)c1OCc1cccc(C)c1 58891411 RFNPJNXWKYAYFI-WRIMGEDOSA-N 480.992 5.590 50 10 JKGE Cc1cc(/C=N/NC(=O)Cc2cccc(C(F)(F)F)c2)c(C)n1-c1ccc(C(C)(C)C)cc1 59136487 QDVYZNPBPZTKII-OKCVXOCRSA-N 455.524 6.103 50 10 JKGE CCc1ccccc1NC(=O)/C(C#N)=C\c1cc(Cl)ccc1OCc1cccc(Cl)c1 59254482 PTSMMOXPMVOANV-MOSHPQCFSA-N 451.353 6.680 50 10 JKGE CCc1ccc(N2C(=O)[C@@H](Cc3ccc(C)cc3)S/C2=C(/C#N)C(=O)Nc2cccc(C)c2)cc1 101245377 GLRFDRLWOCCVAT-SJCFVWOQSA-N 481.621 5.931 50 10 JKGE Cc1c(/C=C(/C#N)C(=O)NCc2ccccc2)c2ccccc2n1Cc1ccc(Cl)cc1Cl 102585993 GZJXJQRLFRMSRS-BKUYFWCQSA-N 474.391 6.528 50 10 JKGE Fc1cccc(Cl)c1C[C@H](Br)c1cc(Br)ccc1Br 109844738 JAVRTVUHIZUWHL-LBPRGKRZSA-N 471.389 6.683 50 10 JKGE Fc1ccccc1C(CBr)(CBr)Cc1ccccc1Br 118878412 RNZBXRLFUPWJJR-UHFFFAOYSA-N 464.998 5.859 50 10 JKGE CC(C)CCC[C@H](C)[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@@]21C 118920970 RJYDKYCTOASENH-ZDEQRXPKSA-N 491.200 8.957 50 10 JKGE Fc1cc(Br)cc([C@@H](Br)c2cc(Cl)c(Br)s2)c1 127550157 TXSDJXGQRXBFOG-SNVBAGLBSA-N 463.391 6.550 50 10 JKGE CN([C@H]1CCCC[C@@H]1Br)S(=O)(=O)c1c(Cl)cc(Br)cc1Cl 158198092 JBRPUIKZHSJKHW-CABZTGNLSA-N 480.049 5.083 50 10 JKGE COc1ccc(F)cc1[C@@H](Br)c1cc(Br)ccc1Br 161088020 UJXULGKVDMCLJR-AWEZNQCLSA-N 452.943 5.844 50 10 JKGE CC1(C)CC[C@@H](CC(CBr)(CBr)c2ccccc2Br)O1 161378660 HCQCTPVNYYVJJP-LBPRGKRZSA-N 469.055 5.824 50 10 JKGE COc1ccc(Br)c(COc2c(C)cc(Br)cc2CBr)c1 167021016 HHSHPDCMPROPBV-UHFFFAOYSA-N 479.006 6.003 50 10 JKGE CCCN1C(=O)C(C#N)=C(C)/C(=C/c2cn(-c3ccccc3)nc2-c2ccc(OCC)c(F)c2)C1=O 214217257 DWLLDKGHHGLNOP-HMAPJEAMSA-N 484.531 5.079 50 10 JKGE CCOc1cc(/C=C2\C(=O)N([C@H](C)CC)C(=O)C(C#N)=C2C)ccc1OCc1ccc(F)cc1 214269226 HVHDGUBVDQZCCB-VYZAVGSRSA-N 462.521 5.194 50 10 JKGE CCOc1ccc([C@@H](Br)c2ccc(Br)c(C)c2)cc1Br 228994058 JQIRPTOXYMJKQV-INIZCTEOSA-N 463.007 6.403 50 10 JKGE COc1ccc(Br)cc1[C@H](Cl)c1cc(Cl)ccc1I 234817360 MJBCZNYYCRUKAR-CQSZACIVSA-N 471.947 6.044 50 10 JKGE COc1ccc([C@H](Br)c2cc(I)ccc2Br)cc1 234995414 QDWHFTPWIBMNPR-AWEZNQCLSA-N 481.953 5.547 50 10 JKGE Clc1cc2c(c([C@@H](Br)c3ccc(Br)cc3Br)c1)OCC2 236084041 ZOHUWLPPNAUDGU-AWEZNQCLSA-N 481.409 6.284 50 10 JKGE CC(=NNC(=O)c1ccc(Br)cc1)c1cccc(NC(=O)c2ccc(Cl)s2)c1 252591822 BBYNMYVWMWFCDF-UHFFFAOYSA-N 476.783 5.570 50 10 JKGE O=C(NN=Cc1ccc(-c2cccc([N+](=O)[O-])c2)o1)c1ccc(OCc2ccc(F)cc2)cc1 254591877 QPFGMNLFGNRXIZ-UHFFFAOYSA-N 459.433 5.337 50 10 JKGE O=C(NN=CC1[C@]2(c3ccccc3)[C@H]3C=C[C@@H](C3)[C@@]12c1ccccc1)c1ccc2ccccc2n1 254773529 CRUOPDNYDLRRIC-FRGOEROOSA-N 455.561 5.662 50 10 JKGE CCN(CC)c1ccc(/C=C(\NC(=O)c2ccccc2)C(=O)NN=C/C(C)=C/c2ccccc2)cc1 254823822 ZKNQDTQBLAKPJQ-IRQMKJFTSA-N 480.612 5.509 50 10 JKGE Cc1cccc(C(=O)Oc2ccc3ccccc3c2C=NNC(=O)COc2cc(C(C)C)ccc2C)c1 254876363 WBHXLTHLYVDCTO-UHFFFAOYSA-N 494.591 6.328 50 10 JKGE Clc1ccc(Br)c([C@@H]2CN(Cc3ccccc3)C[C@@H]2CI)c1 382725604 PXUXTSSATCTRKQ-WMLDXEAASA-N 490.610 5.753 50 10 JKGE CC(C)(C)C[C@@H](CBr)NC(=O)c1cc(Br)sc1Br 393481070 VBLYQUXFYFNLAE-ZETCQYMHSA-N 462.045 5.203 50 10 JKGE CC(C)(C)[Si](C)(C)OCCc1ccccc1[C@@H]1CCN(CCO[Si](C)(C)C(C)(C)C)C1 616625273 IXJPJJAWVQWWAV-HSZRJFAPSA-N 463.855 7.062 50 10 JKGE CC(C)(C)[Si](C)(C)OCCN1CCN[C@@H](c2ccccc2CO[Si](C)(C)C(C)(C)C)C1 616653823 LNAHFZHIDFBRKG-HSZRJFAPSA-N 464.843 6.177 50 10 JKGE COCc1cc(Br)c([C@H](Br)c2ccccc2OCc2ccccc2)s1 688066274 AKWNNSOVTDRJLL-LJQANCHMSA-N 482.237 6.720 50 10 JKGE Cc1cc(Br)c([C@H](Br)[C@@H]2CC23CCOCC3)cc1Br 689922938 NVDGRJRXVORYLX-FZMZJTMJSA-N 453.012 5.773 50 10 JKGE Fc1ccc(COc2cc(Br)ccc2CBr)cc1Br 691445863 SESHXNVZVBSHLB-UHFFFAOYSA-N 452.943 5.825 50 10 JKGE Fc1cc(Br)ccc1CC(CBr)(CBr)C1CCCCC1 696837842 ONHBFGZKJONKFN-UHFFFAOYSA-N 471.046 6.487 50 10 JKGE Brc1cc2c(c([C@H](Br)c3ccsc3Br)c1)OCC2 705009738 CPIQNWICKBWUOL-LLVKDONJSA-N 452.993 5.692 50 10 JKGE Cc1ccc([C@@H](Br)c2cccc(Br)c2Cl)c(C)c1Br 719542225 ZTEMFQNJDGKQSG-CQSZACIVSA-N 467.426 6.966 50 10 JKGE COc1cc(Cl)c([C@@H](Br)c2cccc(F)c2I)cc1Cl 721699103 UJUAZCHOUHKELQ-ZDUSSCGKSA-N 489.937 6.230 50 10 JKGE O=C(NN=C(CSc1nc2ccccc2[nH]1)c1ccc2ccccc2c1)c1ccccc1O 1083976574 YBNRIOZPASGIBT-UHFFFAOYSA-N 452.539 5.348 50 10 JKGE O=C(NN=Cc1ccc(OCc2ccc(Cl)cc2Cl)cc1)c1cc(Br)ccc1O 1084268815 BRGWNTYMSWVTTM-UHFFFAOYSA-N 494.172 5.804 50 10 JKGE C=CCc1cc(/C=C(\C#N)C(=O)Nc2ccc(C)cc2)cc(OC)c1OCc1ccc(F)cc1 1084341923 SEUPMBASDPVBLG-HZHRSRAPSA-N 456.517 5.996 50 10 JKGE O=C(NN=C(CSc1nc2ccccc2s1)c1ccc2ccccc2c1)c1ccccc1O 1084425711 BWKYJMWRNNLEBF-UHFFFAOYSA-N 469.591 6.082 50 10 JKGE Cc1ccc2c(c1)C(=NNC(=O)c1cc(-c3ccccc3)nc3ccccc13)C(=O)N2CC(C)C 1772720518 NSSXPYDTVUQNMH-UHFFFAOYSA-N 462.553 5.347 50 10 JKGE CCN(C(=O)c1oc2c(c1C)C(=NNC(=O)c1cccc(OC)c1)CCC2)c1cccc(C)c1 1772748359 WLHDWFARKYOSHV-UHFFFAOYSA-N 459.546 5.042 50 10 JKGE COc1ccc(-c2nn(Cc3c(F)cccc3Cl)c3c2[C@@H](c2ccccc2)C(C#N)=C(N)O3)cc1 1865680154 AAOVYOMTIMEIIB-QHCPKHFHSA-N 486.934 5.618 50 10 JKGE CCCc1nn(Cc2ccc(Cl)c(Cl)c2)c2c1[C@H](c1ccc(O)c(OCC)c1)C(C#N)=C(N)O2 1865681692 UCLJDBNPIDCMFT-JOCHJYFZSA-N 499.398 5.513 50 10 JKGE CC(C)(C)c1ccc([C@@H]2C(C#N)=C(N)Oc3c2c(-c2ccccc2)nn3Cc2cccc(F)c2)cc1 1865682036 DNWBAPCHCZNSGQ-RUZDIDTESA-N 478.571 6.253 50 10 JKGE CC(C)c1ccc([C@H]2C(C#N)=C(N)Oc3c2c(-c2ccccc2)nn3Cc2ccccc2F)cc1 1865685674 LGUUBSDHEXJESO-VWLOTQADSA-N 464.544 6.079 50 10 JKGE CCOc1cccc([C@@H]2C(C#N)=C(N)Oc3c2c(-c2ccccc2)nn3Cc2ccc(Cl)cc2)c1 1865690531 UBRLQRBTUWKZEE-XMMPIXPASA-N 482.971 5.869 50 10 JKGE CCCc1nn(Cc2cccc(F)c2)c2c1[C@H](c1ccc(OC(C)C)c(OC)c1)C(C#N)=C(N)O2 1865696222 CTLBVOXCVUMPQD-XMMPIXPASA-N 476.552 5.037 50 10 JKGE Cc1nc(-c2ccc(Cl)cc2Cl)ccc1C(=O)NNC(=O)c1ccc(-n2cccc2)cc1 1865759569 HHNSZWFPWUGQBX-UHFFFAOYSA-N 465.340 5.229 50 10 JKGE CCc1ccc(-c2csc(/C(C#N)=C(\O)[C@H]3CC(=O)N(c4c(C)cccc4CC)C3)n2)cc1 1872744036 FCIFTDDQRVMVNH-OUJYPELJSA-N 457.599 6.089 50 10 JKGE N#C/C(=C(/O)[C@@H]1CC(=O)N(Cc2ccccc2)C1)c1nc(-c2ccc(Cl)cc2Cl)cs1 1872744725 FZJDISHPCNMJNN-VGLIXDPASA-N 470.381 5.958 50 10 JKGE N#C/C(=C(/O)c1ccc2c(c1)C(=O)N(C1CCCCC1)C2=O)c1nc(-c2cccs2)cs1 1872750751 QCYKQQHELVJOET-UZYVYHOESA-N 461.568 5.750 50 10 JKGE CCOc1ccc(/C=C/C(O)=C(\C#N)c2nc(-c3ccc(OC)c(C)c3C)cs2)cc1OC 1872753611 GDRVHYTVWZPRJC-WTJRMIHXSA-N 462.571 6.349 50 10 JKGE COc1cc(Cl)c(C)cc1-c1csc(/C(C#N)=C(\O)Cc2ccc(NC(C)=O)cc2)n1 1872755219 DGKJORAPGGFFHI-UZYVYHOESA-N 453.951 5.774 50 10 JKGE COc1ccc(-c2csc(/C(C#N)=C/c3cccc(OC)c3OCc3cccc(C)c3)n2)cc1C 1872780870 OIMNNPXQGICNNG-BUVRLJJBSA-N 482.605 7.087 50 10 JKGE COc1ccc(-c2csc(/C(C#N)=C/c3cccc(OC)c3OCc3cccc(C)c3)n2)c(C)c1C 1872792548 FHMRABHHDNBNDY-BUVRLJJBSA-N 496.632 7.396 50 10 JKGE COc1ccc(OC)c(/C=C/C(O)=C(\C#N)c2nc(-c3cc(OC)ccc3OC)cs2)c1 1873920329 DDKMSAVELORHGW-DYBBPNSKSA-N 450.516 5.351 50 10 JKGE COc1cc(C)c([C@H](Br)c2ccc(OCc3ccccc3)cc2)cc1Br 1901671875 AHQONFUAHDRQLI-JOCHJYFZSA-N 476.208 6.829 50 10 JKGE FC1(F)CC[C@@H]2[C@H]([C@@H](Br)c3cc(Br)sc3Br)[C@@H]21 1906979630 YGYJVOOGRFVCSQ-WYPCVCTJSA-N 450.968 6.000 50 10 JKGE CC[C@@H](Cl)CN(Cc1ccccc1)S(=O)(=O)c1cc(Br)ccc1Br 1915107968 ZMTPZVZZAHGPLH-OAHLLOKOSA-N 495.664 5.420 50 10 JKGE CCn1nc(C)c(Br)c1CN(Cc1ccccc1)[C@H](CBr)C(C)C 1915267807 GPRJMGQLVMULLL-QGZVFWFLSA-N 457.254 5.396 50 10 JKGE CN(Cc1cccc(Br)c1Br)C[C@H](Cl)COCc1ccccc1 1916334792 KSCYOCLEHMWJID-INIZCTEOSA-N 461.625 5.468 50 10 JKGE Cc1c(Br)sc([C@H](Cl)c2cc(F)ccc2Br)c1Br 1922946902 WNQFNGZAMXOJTP-SNVBAGLBSA-N 477.418 6.811 50 10 JKGE CC1CCC([C@H](Cl)c2c(Br)sc(Br)c2Br)CC1 1924583277 IDSQAKGVKOORCK-QIMWKCOFSA-N 465.476 7.142 50 10 JKGE Cl[C@@H](Cc1ncccc1Br)c1cc(Br)cc(Br)c1 1924863112 XYHGTYCYZXZLEI-LBPRGKRZSA-N 454.387 5.892 50 10 JKGE Cc1cccc([C@H](Cl)c2c(Cl)sc(Br)c2Cl)c1I 1925586558 ANUKRYHJZCIGGJ-QMMMGPOBSA-N 496.422 7.059 50 10 JKGE Cc1ccc([C@H](Br)c2sc(Cl)cc2Br)c(Br)c1 1948829356 SLVOYMSXIIPYCJ-NSHDSACASA-N 459.428 6.719 50 10 JKGE COCc1cc(Br)c([C@@H](Br)c2cc(Br)cs2)s1 2004904476 KLVPXQROOZHBGO-JTQLQIEISA-N 461.038 5.965 50 10 JKGE COc1ccc(Br)cc1[C@H](Cl)c1csc(Br)c1Br 2032958837 MZUQBMQGKJJNAZ-NSHDSACASA-N 475.427 6.372 50 10 JKGE CN(c1ccc(CBr)cc1Br)[C@@H]1CC(C)(C)[C@H]1OCc1ccccc1 2038794373 KPPQQSMUGBLAFR-UXHICEINSA-N 467.245 6.164 50 10 JKGE Cc1ccc(C)c([C@@H](Br)c2ccc(Br)cc2I)c1 2086148712 FJMJAFSPFCKLPS-HNNXBMFYSA-N 479.981 6.155 50 10 JKGE Cn1cc(Br)c(CC(CBr)(CBr)C2CCCCC2)n1 2087329781 JSSLWXJLADTFFL-UHFFFAOYSA-N 457.048 5.082 50 10 JKGE COc1cc(Br)ccc1[C@@H](Br)c1cc(Br)c(OC)s1 2095775670 QXAYTLOECFSNHW-GFCCVEGCSA-N 471.008 5.775 50 10 JKGE Cc1cc2sc([C@@H](Cl)c3sc(Br)c(C)c3Br)cc2s1 2100321564 BYPRRMLUWULIRO-LLVKDONJSA-N 456.677 7.494 50 10 JKGE C[C@H]1CC[C@@H](CC(CBr)(CBr)c2ccc(Br)cc2)C1 2101721695 FPJGCFFMOFSGPE-QWHCGFSZSA-N 453.056 6.303 50 10 JKGE C[C@]1(CBr)CC(F)(F)CN1Cc1cccc(Br)c1Br 2102794861 MEKARHAWQIVQAM-GFCCVEGCSA-N 461.970 5.206 50 10 JKGE FC1(F)[C@H]2C[C@](CBr)(Cc3cc(Cl)ccc3I)C[C@H]21 2107644900 JJMXVBXWDGRFBM-PJXYFTJBSA-N 461.515 5.544 50 10 JKGE Cc1cc(Br)c([C@@H](Br)C2CC(C3CCC3)C2)cc1Br 2120257151 CKWUKZIUCAGCHR-PPUFBPAQSA-N 451.040 6.782 50 10 JKGE Cc1cc(Br)c(C)c([C@@H](Br)CCC2CCCC2)c1Br 2136378507 DQIDHIUVOCSBEJ-ZDUSSCGKSA-N 453.056 7.235 50 10 JKGE COc1c(Cl)cc(Br)cc1[C@@H](Br)c1cccc(OCc2ccccc2)c1 2138249287 XGJIBSMZNQHZOW-FQEVSTJZSA-N 496.626 7.174 50 10 JKGE Fc1ccc(CBr)c(OCc2cc(Cl)ccc2I)c1 2139767594 OQWLILYUVWITGY-UHFFFAOYSA-N 455.492 5.558 50 10 JKGE Clc1cc(C[C@@H]2C[C@@H]3CCCC[C@@H]3[C@H]2Br)ccc1I 2142951805 CLGCNUVVODKWPW-ZWUHOBOKSA-N 453.589 6.077 50 10 JKGE Cc1cccc(COc2c(Br)cc(Br)cc2CCl)c1Br 2144187005 MBVIBRYXEIGWIT-UHFFFAOYSA-N 483.425 6.600 50 10 JKGE FC(F)(F)c1ccc([C@@H](Br)c2sc(Cl)cc2Br)cc1Cl 2154476972 CSCQQVTYSXBATH-SNVBAGLBSA-N 468.947 7.321 50 10 JKGE Cc1c(Cl)cc(C[C@@H](CBr)c2ccc(Br)cc2)cc1Br 2167384787 KRYHDNBNKAOANY-ZDUSSCGKSA-N 481.453 6.895 50 10 JKGE C[C@H]1CN(Cc2ccccc2)C[C@@H]1n1c(CCCl)nc2cc(Cl)c(Br)cc21 2169015307 KJXWXLXHVAQKLS-XOBRGWDASA-N 467.238 5.927 50 10 JKGE CN(C(=O)c1cc(Br)cc(Br)c1)[C@H]1CCCCC[C@@H]1Br 2172547516 OFVXEINERXTFSV-KBPBESRZSA-N 468.027 5.380 50 10 JKGE Cc1cc(Br)c([C@@H](Br)c2ccc(C(F)F)cc2)cc1Br 2172646407 NDJUMVCHVCKJIV-AWEZNQCLSA-N 468.961 6.942 50 10 JKGE Cc1c(Br)ccc([C@H](Br)[C@@]2(C)CCCCC2(F)F)c1Br 2203707237 UYHWTMNKHZSANZ-UONOGXRCSA-N 475.009 7.172 50 10 JKGE Clc1ccc([C@@H](Br)c2c(Br)cc(Cl)c(Cl)c2Cl)o1 2217618409 OSGWHYNBFDWLAW-SECBINFHSA-N 453.772 7.140 50 10 JKGE Cc1cc(Br)ccc1[C@@H](Br)c1c(C)sc(Br)c1C 2218799056 CKNRWVSCNWFMBA-CYBMUJFWSA-N 453.037 6.683 50 10 JKGE Cc1cc(Br)c([C@@H](Br)c2c(C)nsc2Br)c(C)c1Cl 2224314051 WUUWZJRONUECPF-LLVKDONJSA-N 488.470 6.731 50 10 JKGE Cc1cc([C@H](Cl)c2c(Br)cc(C)c(Br)c2C)oc1Br 2227349354 RIWRNLOXWCPGSR-ZDUSSCGKSA-N 471.414 6.821 50 10 JKGE Cc1cc(Br)c([C@H](Br)[C@@H]2CCC[C@H](C)O2)c(C)c1Br 2227361959 ITGWNSBYEPOFSY-ONENECBXSA-N 455.028 6.222 50 10 JKGE CCOCc1cc(Br)c([C@H](Br)c2cc(F)ccc2Br)s1 2233019777 IKQCSNRGDYBQJR-CYBMUJFWSA-N 487.026 6.433 50 10 JKGE COc1c(C(C)C)cc(Br)cc1[C@H](Br)c1ncsc1Br 2233161493 FMZKWIMCVMNKKK-NSHDSACASA-N 484.051 6.284 50 10 JKGE Cc1cc(Br)c(C)c([C@H](Br)[C@@H]2OC[C@@H]3CCC[C@H]32)c1Br 2233180582 BURZAWNAYRMBAW-KTQGLZRJSA-N 467.039 6.080 50 10 JKGE Fc1cc(Br)c(Br)cc1[C@@H](Cl)c1csc(C(F)(F)F)c1 2233969475 KDGAMADRJQVGDZ-NSHDSACASA-N 452.492 6.759 50 10 JKGE CCC(F)(F)C(C)(C)[C@H](Br)c1c(Br)cc(C)c(Br)c1C 2235609297 BGBWPDCTOXQCPB-CYBMUJFWSA-N 477.025 7.336 50 10 JKGE CCn1cc([C@H](Cl)c2c(Br)cc(C)c(Br)c2C)nc1Br 2235610277 QBTSDAVEBYIECQ-ZDUSSCGKSA-N 485.445 6.136 50 10 JKGE BrC[C@]12CCCC[C@H]1CN(Cc1cccc(Br)c1Br)C2 2239174499 LUJUPYAXWDNSCT-BBRMVZONSA-N 466.055 5.599 50 10 JKGE CC(C)[C@H](CCl)N(Cc1ccccc1)C(=O)c1ccc(Cl)c(I)c1 2248260016 JTCCAXBFFVZUKA-SFHVURJKSA-N 476.185 5.850 50 10 JKGE COc1ccc([C@@H](Br)c2cnn(C)c2Br)c(Br)c1Cl 2268268482 QRHBHVUCFRTCGU-SECBINFHSA-N 473.390 5.091 50 10 JKGE Fc1cc(Br)c(F)c(Br)c1[C@@H](Cl)c1ccc(Br)cc1 2272721407 HUYDCQKHLHYKPQ-LBPRGKRZSA-N 475.352 6.581 50 10 JKGE CCO[C@@H]1CC[C@@H]([C@H](Br)c2c(F)cc(Br)c(F)c2Br)C1 2288346062 HOYCDOZFMSZRHM-RWYTXXIDSA-N 476.981 6.131 50 10 JKGE FC(F)C1(CBr)CCN(Cc2cccc(Br)c2Br)CC1 2289889646 JTCKHEUANMNGDZ-UHFFFAOYSA-N 475.997 5.454 50 10 JKGE Cc1cc(C=C(C#N)C(=O)Nc2ccc(Cl)cc2)c(C)n1-c1sc2c(c1C#N)CCCC2 2294737433 YVLMAKRSNPJUCY-UHFFFAOYSA-N 460.990 6.105 50 10 JKGE FC(F)(F)[C@@H]1C[C@@H]1[C@@H](Br)c1ccc(OCc2ccccc2)cc1Br 2299495230 KORVDYOPAOWASV-UXLLHSPISA-N 464.119 6.663 50 10 JKGE Brc1cc(OCc2ccccc2)ccc1[C@@H](Br)[C@@H]1C[C@H]2CC[C@H]1C2 2299496437 NRXNFNYNFMIBER-ZOGSBNJCSA-N 450.214 6.900 50 10 JKGE CC1(C)C[C@H]1CC[C@H](Br)c1ccc(OCc2ccccc2)cc1Br 2299534743 HGVUNWAWIQFSKJ-APWZRJJASA-N 452.230 7.290 50 10 JKGE CC[C@H](Br)CN(CCc1ccc(OC)cc1Br)Cc1ccccc1 2301371413 FUANNBOBPHYCBR-SFHVURJKSA-N 455.234 5.676 50 10 JKGE Brc1cccc(Br)c1CO[C@H]1CCCC[C@H]1I 2302081167 YSQQOXWANZAHIZ-OLZOCXBDSA-N 473.974 5.474 50 10 JKGE C=CCN1C(=O)C(=Cc2ccccc2)SC1=NNC(=O)COc1cc(Cl)c(Cl)cc1Cl 2314397544 WRMDKWFLSKWFRC-UHFFFAOYSA-N 496.803 5.215 50 10 JKGE Cc1cc(Br)cc([C@H](Cl)c2cc(Br)ccc2OCc2ccccc2)c1 2314447958 CYUJSUKSHXGGGG-NRFANRHFSA-N 480.627 7.427 50 10 JKGE CCC1CCC([C@H](Br)c2cc(Br)ccc2OCc2ccccc2)CC1 2314487920 HUYQKDPSIIWTEG-QRFVXNFXSA-N 466.257 7.681 50 10 JKGE N#CC(=Cc1ccc(-c2c(Cl)cccc2Cl)o1)C(=O)Nc1ccc(Cl)c(C(F)(F)F)c1 2314488679 MERJZAZAZQAYIB-UHFFFAOYSA-N 485.676 7.471 50 10 JKGE Brc1cc(OCc2ccccc2)ccc1[C@H](Br)[C@H]1CCCCC12CC2 2314501345 WMPOEAQDIAPLFI-CTNGQTDRSA-N 464.241 7.435 50 10 JKGE CC[C@H](C)N1C(=O)C(=Cc2ccc(OCc3ccccc3Cl)c(OC)c2)C(C)=C(C#N)C1=O 2314610405 HULXAEAJFGFGFP-INIZCTEOSA-N 464.949 5.318 50 10 JKGE C[C@@H]1C[C@H]2C[C@]([C@@H](Br)c3c(Br)sc(Br)c3Cl)(C2)O1 2319799795 ZRGCLBSRXZCIOJ-XGSYFURPSA-N 479.459 6.320 50 10 JKGE N#CC(=Cc1cccc(OC(=O)c2ccc(S(=O)(=O)N3CCCCC3)cc2)c1)c1ccccc1F 2320510775 CAVOQEBOZDGDGQ-UHFFFAOYSA-N 490.556 5.284 50 10 JKGE CC[C@H](NC(=O)C(C#N)=CN[C@H](CC)c1ccc2c(c1)CCCC2)c1ccc2c(c1)CCCC2 2325079370 HDNBQYVFMLDCJF-WDYNHAJCSA-N 455.646 6.160 50 10 JKGE C[C@@H](Oc1ccc(Cl)cc1Br)C(O)=C(C#N)c1nc(-c2cccc(Cl)c2)cs1 2331294120 RTNYUIOAMSKUKV-LLVKDONJSA-N 496.213 7.140 50 10 JKGE COc1cc(C=CC(O)=C(C#N)c2nc(-c3ccc(F)c(F)c3)cs2)cc(OC)c1OC 2331351687 OWOLNUBSRVJAHS-UHFFFAOYSA-N 456.470 5.620 50 10 JKGE COc1c(C)cc(Cl)cc1-c1csc(C(C#N)=C(O)CCCOc2ccc(C)cc2)n1 2331392207 CMNMGEYCINEJMY-UHFFFAOYSA-N 454.979 6.741 50 10 JKGE CCCCOc1ccc(C=C(C#N)c2nc(-c3ccc(Cl)cc3Cl)cs2)cc1OC 2331425069 RWSBQCFLIHWLAT-UHFFFAOYSA-N 459.398 7.369 50 10 JKGE COc1cc(C=C(C#N)c2nc(-c3cc(Cl)cc(Cl)c3OC)cs2)cc(OC)c1OC 2331467582 HJBUTWWWYGCIKJ-UHFFFAOYSA-N 477.369 6.215 50 10 JKGE CCCCCOc1ccc(C=C(C#N)c2nc(-c3cc(C)c(Cl)cc3OC)cs2)cc1 2331474184 LNDCZNRVHJUOPI-UHFFFAOYSA-N 453.007 7.414 50 10 JKGE Cl[C@H]1C[C@@H](Oc2cc(Br)cc(I)c2)C12CCCCC2 2338757158 HBQPXNHLLHURJU-UONOGXRCSA-N 455.561 5.763 50 10 JKGE Clc1ccc(CC2(CBr)CC3(CCOC3)C2)c(I)c1 2341052048 RGGVSWFHAGNOBK-UHFFFAOYSA-N 455.561 5.069 50 10 JKGE Cl[C@H](CCc1ccc(I)c(Br)c1)CN1CCCCC1 2349838672 WJQGQBPEWOPJKD-CYBMUJFWSA-N 456.593 5.080 50 10 JKGE Cc1cc(Br)c([C@@H](Br)[C@]23COC[C@H]2C3(F)F)c(C)c1Br 2358667635 BKWYNNXISMFUGO-WQAKAFBOSA-N 474.965 5.546 50 10 JKGE Cn1nc([C@H](Cl)c2c(F)cc(Cl)c(Br)c2Cl)c(Br)c1Cl 2360424996 YIPOUVQOHGXAPR-SECBINFHSA-N 485.793 6.373 50 10 JKGE COc1ccc(CC[C@@H](Br)c2cc(Br)ccc2OCc2ccccc2)cc1 2361176624 GQHXVCJKAPLFDA-JOCHJYFZSA-N 490.235 7.106 50 10 JKGE FC1(F)CC[C@]2(C1)[C@H](Cl)C[C@H]2Oc1cc(Br)cc(I)c1 2364267680 MQLVOPOFFQHVCL-UPJWGTAASA-N 477.514 5.618 50 10 JKGE COc1c(Br)cc(C)c([C@H](Br)C[C@]23CCC[C@@H]2C3)c1Br 2365192507 CMOYGTGIBBBETF-NSODJVPESA-N 467.039 6.545 50 10 JKGE O=C(Nc1ccc(F)c(CBr)c1)c1ccc(Cl)cc1I 2365600212 ZMXWCYHWWWYQMD-UHFFFAOYSA-N 468.491 5.231 50 10 JKGE COc1cc(Cl)c(CBr)c(N(C)C[C@@H]2CCCN(Cc3ccccc3)C2)c1 2365804564 WDLLYRMGHVNILI-SFHVURJKSA-N 451.836 5.592 50 10 JKGE CC(C)[S@](=O)(=NC[C@](C)(CBr)C(C)(C)C)[C@@H]1CCN(C(=O)OC(C)(C)C)C1 2380159753 HTCWCJBNAYVNTF-KQKQTWRPSA-N 467.514 5.320 50 10 JKGE CCCCCCOc1ccc(C(=O)NNC(=S)NC(=O)c2ccc(-c3ccccc3)cc2)cc1 14025567 DOUNYNSLYVQUMA-UHFFFAOYSA-N 475.614 5.262 50 10 JKGE CC(=O)C1=C(C)NC(SCC(=O)c2ccc(Cl)cc2Cl)=C(C#N)[C@@H]1c1cccs1 16676346 WZVDLTJRQXYDGS-HXUWFJFHSA-N 463.411 5.956 50 10 JKGE COc1ccc(/C=C(/C#N)C(=O)Nc2ccc([N+](=O)[O-])cc2C(F)(F)F)cc1OCc1ccccc1 33930410 GCJAVUONDDEKCL-WQRHYEAKSA-N 497.429 5.747 50 10 JKGE CCCCCOc1cccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4ccc(F)cc4)ccc32)c1 38684772 IVTWCDWCGHZUTB-AREMUKBSSA-N 472.516 5.832 50 10 JKGE Cc1cccc(C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@@H]3c2cccc(OCCC(C)C)c2)c1 40529952 ZAFSDQWOAKSNEU-HHHXNRCGSA-N 468.553 5.857 50 10 JKGE CCCCCOc1cccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4ccccc4OCC)ccc32)c1 40530103 VKXUTJGZFCYWAG-MUUNZHRXSA-N 498.579 6.092 50 10 JKGE Cc1c(C(=O)Oc2ccc(Cl)cc2Cl)oc2c1/C(=N/NC(=O)c1ccccc1)CCC2 40804308 UQNVOGJSUPMNSD-YZSQISJMSA-N 457.313 5.584 50 10 JKGE Cc1ccc(NC(=O)c2oc3c(c2C)/C(=N/NC(=O)c2ccc(Br)cc2)CCC3)c(C)c1 40811750 KCGAYRLBZPKDSZ-VFCFBJKWSA-N 494.389 5.690 50 10 JKGE CCOc1ccccc1NC(=O)c1oc2c(c1C)/C(=N/NC(=O)c1cccc(Cl)c1)CCC2 40813276 GNQSAOKSNOGSPK-TURZUDJPSA-N 465.937 5.363 50 10 JKGE Cc1cc(C)c2c(CC(=O)N/N=C3\CCCc4oc(C(=O)Nc5cccc(C)n5)c(C)c43)coc2c1 40827023 KACYPEYCKXBLDB-AJBULDERSA-N 484.556 5.306 50 10 JKGE COc1cc(/C=C(\C#N)c2ccc(Cl)cc2)ccc1OC(=O)/C(C#N)=C/c1ccc(Cl)cc1 40864754 PYQQYYPKWJPGFW-KVDUHBSMSA-N 475.331 6.579 50 10 JKGE COc1cc(/C=N/NC(=O)COc2cccc(C)c2)ccc1OCc1c(Cl)cccc1Cl 40911583 LLFTXCAFABKBSH-UVHMKAGCSA-N 473.356 5.419 50 10 JKGE Cc1cccc(NC(=O)/C(C#N)=C\c2cc(Br)ccc2OCc2cccc(F)c2)c1 59133286 LIQJMPIRXXSWRC-UNOMPAQXSA-N 465.322 6.021 50 10 JKGE Cc1cc(Br)c([C@@H](Br)c2cc3c(s2)CCCC3)cc1Br 128843398 CQXVXYHPKJRNLW-MRXNPFEDSA-N 479.075 6.945 50 10 JKGE CC(C)(C)[Si](C)(C)OC[C@H]1CCC(/C(C#N)=C2/CC[C@H](CO[Si](C)(C)C(C)(C)C)N2)=N1 195806930 JYNLYWZVXIGLJC-YXNMBULNSA-N 463.815 6.163 50 10 JKGE Clc1sc([C@@H](Br)c2ccc(Br)s2)cc1Br 227848450 IKGRWKLBTPJCGB-QMMMGPOBSA-N 451.430 6.472 50 10 JKGE Cc1ccc(Cl)cc1N(C(=O)CCl)[C@H](C(=O)N[C@H]1CCCC[C@H]1C)c1ccc(Cl)cc1 230274964 YMCQMBMCKPKCSB-XLHILCRZSA-N 481.851 6.310 50 10 JKGE Clc1cc2c(c([C@H](Br)c3ccc(I)c(Cl)c3)c1)OCC2 232345273 YKXTWRXASHIMDT-CQSZACIVSA-N 483.958 6.017 50 10 JKGE CC(C)(C)c1ccc([C@H](Cl)c2cc(Br)ccc2I)cc1 232513023 OIPURILBHFZAEO-INIZCTEOSA-N 463.584 6.679 50 10 JKGE COc1cc(C)c(Br)cc1[C@@H](Br)c1ccc(Cl)cc1Br 234796445 NWDHCSAHKLMGAE-HNNXBMFYSA-N 483.425 6.666 50 10 JKGE CC1(C)OC[C@@H]2OC=C[C@@](C)(O[Si](Cc3ccccc3)(Cc3ccccc3)C(C)(C)C)[C@]2(C)O1 248180358 YFCXESIIKMEQKK-RFYMFKDESA-N 480.721 6.525 50 10 JKGE CCCN(CCC)c1ccc(C=NNC(=O)/C(=C\c2cccs2)NC(=O)c2ccccc2)cc1 254290835 DZBFYOOCDYXUNP-KAVQAXANSA-N 474.630 5.296 50 10 JKGE C=CCOc1ccc(C(=O)NN=Cc2c(OC(=O)c3ccccc3)ccc3ccccc23)cc1 254478822 DJUVRQOJGGULAB-UHFFFAOYSA-N 450.494 5.388 50 10 JKGE Clc1ccc(Br)cc1[C@H](Br)c1cc2c(cc1Br)OCC2 308408930 ANQAABIMYDYOEH-OAHLLOKOSA-N 481.409 6.284 50 10 JKGE C[C@@H]1CN(Cc2ccccc2)C[C@@]1(C)Cn1c(CCl)nc2cc(I)ccc21 379979091 JHPPRGDEUFPNDE-ZHRRBRCNSA-N 493.820 5.538 50 10 JKGE Cc1cccc(Br)c1[C@@H](Br)c1cc(Cl)c(Cl)c(Cl)c1Cl 404659243 POIPDDABWCZFJJ-NSHDSACASA-N 477.838 7.855 50 10 JKGE CC(C)(C)OC(=O)NCCN1CCCCC[C@@H]1c1ccc(CCO[Si](C)(C)C(C)(C)C)cc1 616623834 JJLYEYOOCHOXKY-XMMPIXPASA-N 476.778 6.693 50 10 JKGE CN(C(=O)OC(C)(C)C)c1cccc([C@@H]2CCN(CCO[Si](C)(C)C(C)(C)C)c3ccccc32)c1 616676049 WGKWXMHXOFRHSY-DEOSSOPVSA-N 496.768 7.422 50 10 JKGE CC(C)(C)OC(=O)NCCN1CCCO[C@H](c2ccc(CCO[Si](C)(C)C(C)(C)C)cc2)C1 616678516 HXJVKRLTFKHOQT-QHCPKHFHSA-N 478.750 5.539 50 10 JKGE Cl[C@@H](c1cccc(I)c1)c1cc(Br)cc2c1OCCC2 711145413 HPEBHXFBXLVVAK-HNNXBMFYSA-N 463.540 5.707 50 10 JKGE Cc1ccc(NC(=O)/C(C#N)=C\c2ccc(-c3ccc([N+](=O)[O-])cc3Br)o2)cc1C 1083886559 MFFKQMJWOVGYFI-GDNBJRDFSA-N 466.291 5.780 50 10 JKGE CC(=NNC(=O)c1ccc(Br)cc1)c1cccc(NC(=O)c2cccc(Cl)c2)c1 1084306623 QODMJFNWSMOYAB-UHFFFAOYSA-N 470.754 5.509 50 10 JKGE Cc1cccc(NCCCC(=O)NN=Cc2ccccc2OCc2ccc(Br)cc2)c1 1084452245 ZPWVHYMSNCKFGD-UHFFFAOYSA-N 480.406 5.679 50 10 JKGE COc1ccc(/C=C/C(=NNC(=O)C(O)(c2ccccc2)c2ccccc2)c2ccc(OC)cc2)cc1 1084549543 QLPSPVBRMMCKIP-IBMTXHESSA-N 492.575 5.174 50 10 JKGE O=C(NN=C(CNC(=O)c1ccc(Cl)cc1)c1ccccc1)Nc1ccc(OC(F)(F)F)cc1 1088739654 IMEFSKFPAPZLCZ-UHFFFAOYSA-N 490.869 5.194 50 10 JKGE COc1ccc(Cl)cc1NC(=O)c1oc2c(c1C)C(=NNC(=O)c1cccc(Cl)c1)CCC2 1772745756 GNCCIWSGHQIMDK-UHFFFAOYSA-N 486.355 5.626 50 10 JKGE COc1ccc(C(=O)NN=C2CCCc3oc(C(=O)Nc4cccc(Cl)c4C)c(C)c32)cc1 1772746202 SINGAFAHEMFSAT-UHFFFAOYSA-N 465.937 5.281 50 10 JKGE CCCCCOc1ccc([C@@H]2C(C#N)=C(N)Oc3c2c(CCC)nn3Cc2ccccc2Cl)cc1 1865690078 IHUPYWBIJLGKPV-RUZDIDTESA-N 491.035 6.324 50 10 JKGE C=CCOc1ccccc1[C@@H]1C(C#N)=C(N)Oc2c1c(-c1ccccc1)nn2Cc1ccc(Cl)cc1 1865691006 GZYMGBOUDJODCO-RUZDIDTESA-N 494.982 6.035 50 10 JKGE CCCCOc1c(Br)cc([C@H]2C(C#N)=C(N)Oc3c2c(CCC)nn3CC)cc1OC 1865693116 RTFBRRSSJDMICB-IBGZPJMESA-N 489.414 5.024 50 10 JKGE COc1ccc(-c2nn(Cc3cccc(Cl)c3)c3c2[C@H](c2ccccc2OC)C(C#N)=C(N)O3)cc1 1865709413 BSNXOQVXGQCZDG-XMMPIXPASA-N 498.970 5.487 50 10 JKGE COc1cc(/C=N\NC(=O)c2ccc(-c3ccc(Cl)cc3Cl)nc2C)cc(OC)c1OC 1865760660 IZHQDWKJNVTQKJ-ZRGSRPPYSA-N 474.344 5.154 50 10 JKGE C[C@H](C(=O)Nc1ccc(SC#N)cc1)N1C(=O)c2c(Cl)c(Cl)c(Cl)c(Cl)c2C1=O 1865885771 NNCBJOCDHKMFDR-SSDOTTSWSA-N 489.167 5.497 50 10 JKGE CC[C@H](NC(=O)[C@@H](c1ccc(Cl)cc1)C1CCCC1)C(=O)Nc1ccc(SC#N)cc1 1867006319 TUDXBNWZSPUMKZ-FCHUYYIVSA-N 456.011 5.720 50 10 JKGE CN(CC(C)(C)c1ccccc1)c1cc(Nc2ccc(SC#N)cc2)nc(Cc2ccccc2)n1 1868207007 CCGDHLCOVSIBFV-UHFFFAOYSA-N 479.653 6.798 50 10 JKGE N#CSc1ccc(Nc2cc(N3CCC[C@@H]3c3nc4c([nH]3)CCCC4)nc(-c3ccccc3)n2)cc1 1868364944 ISEFDXNNIDLKHP-XMMPIXPASA-N 493.640 6.404 50 10 JKGE N#C/C(=C(/O)CCCOc1ccc(Cl)cc1Cl)c1nc(-c2ccc3ccccc3c2)cs1 1872745640 WUTMPTRSVSYJLE-ATJXCDBQSA-N 481.404 7.922 50 10 JKGE COc1ccc(-c2csc(/C(C#N)=C(\O)CNC(=O)c3ccc(Cl)cc3Cl)n2)c(C)c1C 1872753984 XEZORVIPYBBPER-JZJYNLBNSA-N 488.396 5.965 50 10 JKGE CCOc1ccc(/C=C/C(O)=C(\C#N)c2nc(-c3cc(Cl)cc(Cl)c3OC)cs2)cc1 1872754458 TYFHLIIAOJFXIE-FFZTXCBISA-N 473.381 7.030 50 10 JKGE CCOc1ccc(/C=C(C(/O)=C(\C#N)c2nc(-c3c(C)cc(C)cc3C)cs2)\c2ccccc2)cc1 1872757164 SRKSZQCFEOMHQZ-YOMIDHQQSA-N 492.644 8.168 50 10 JKGE COc1cc(C)c(-c2csc(/C(C#N)=C(\O)CCCCCNC(=O)c3ccccc3)n2)cc1C 1872758248 RPLVNVHKJGUDBV-GYHWCHFESA-N 475.614 6.219 50 10 JKGE CCOc1ccc(/C=C(\C#N)c2nc(-c3cc(Cl)cc(Cl)c3OC)cs2)cc1OCC 1872792498 BYDRMLYXVUHJNL-OVCLIPMQSA-N 475.397 6.987 50 10 JKGE COc1cc(Br)cc(/C=C(\C#N)c2nc(-c3ccc(Cl)s3)cs2)c1O 1872794439 BMOUQFIYVJWZMZ-ONNFQVAWSA-N 453.770 6.066 50 10 JKGE CCC(CC)(CBr)CN(OCc1ccccc1)C1CN(C(=O)OC(C)(C)C)C1 1884743700 HIOLBCZMFNXNCR-UHFFFAOYSA-N 455.437 5.241 50 10 JKGE Cl[C@H](c1cc(Br)ccc1OCc1ccccc1)c1nscc1Br 1899866705 XTGZYTMMRXHHSW-MRXNPFEDSA-N 473.617 6.575 50 10 JKGE Cc1scc([C@@H](Br)c2cc(Cl)c(Br)s2)c1Br 1902871325 GRMYYJUPEXTKKZ-SECBINFHSA-N 465.457 6.781 50 10 JKGE C[C@@]1(C(F)(F)F)C[C@@H]1Oc1c(Br)cc(Br)cc1CBr 1909563171 PCXIXHNWAJFFDT-GXSJLCMTSA-N 466.917 5.826 50 10 JKGE CC(C)[C@H](CBr)N(Cc1ccccc1)C(=O)c1ccc(Br)c(Cl)c1 1915297904 MLAWQFPQXFVXTB-SFHVURJKSA-N 473.636 6.164 50 10 JKGE Fc1cccc([C@H](Br)c2c(Br)sc(Br)c2Cl)c1Cl 1923054508 GLNIBLFNBHHEQL-ZETCQYMHSA-N 497.836 7.203 50 10 JKGE COc1cc(F)c(Br)cc1[C@@H](Br)c1csnc1Br 1925249336 YWUXSMODXKZPCI-SNVBAGLBSA-N 459.960 5.300 50 10 JKGE Fc1ccc(Br)cc1[C@H](Br)c1c(Cl)sc(Br)c1Cl 1925586193 WKVLHSLVXMBKLY-QMMMGPOBSA-N 497.836 7.203 50 10 JKGE Cc1ccnc(C[C@@H](CBr)Cc2ccc(Br)cc2)c1Br 1926833641 MRUQWXSDAKOQLU-ZDUSSCGKSA-N 462.023 5.711 50 10 JKGE Cc1cc([C@@H](Br)c2cscc2OCc2ccccc2)sc1Br 1934839611 PMNGDWMYTHZHHY-INIZCTEOSA-N 458.240 6.944 50 10 JKGE Cc1cc(Br)sc1[C@@H](Br)c1cccc(I)c1 1939447517 VGRHLKRBLUIOKQ-NSHDSACASA-N 471.983 5.908 50 10 JKGE BrCc1ccc(Br)cc1N1CC2(CC(OCc3ccccc3)C2)C1 2000818834 WAOJEWWMQFMARG-UHFFFAOYSA-N 451.202 5.530 50 10 JKGE CC[C@@H](C)[C@H](CI)NCc1cc(Br)ccc1Br 2023044197 OTDRNDUDLHWWEX-RNCFNFMXSA-N 475.006 5.151 50 10 JKGE Cc1cc(C(=O)N(Cc2ccccc2)[C@@H](CBr)C2CC2)ccc1I 2026130585 JCNBMQKRTMBTRU-IBGZPJMESA-N 498.202 5.416 50 10 JKGE Cc1ccc(C)c(C[C@@H](Br)c2csc(Br)c2Br)c1 2032953673 OBAPNWGDLPCZNX-GFCCVEGCSA-N 453.037 6.569 50 10 JKGE Clc1c(Br)sc(Br)c1[C@H](Br)[C@@H]1CO[C@H]2COC[C@H]12 2040325939 OARGABZSDCMOPS-MNCSTQPFSA-N 481.431 5.024 50 10 JKGE COC1CC(CC[C@H](Br)c2sc(Br)c(C)c2Br)C1 2042740517 AGTLYEXAHNVSEP-RTBKNWGFSA-N 461.057 6.223 50 10 JKGE Cc1c(Br)sc([C@H](Cl)c2c(Cl)cccc2Br)c1Br 2050321087 YBJLGFRZUMGHLM-SNVBAGLBSA-N 493.873 7.326 50 10 JKGE FC1(F)CCC([C@@H](Br)c2c(Br)sc(Br)c2Cl)CC1 2057459459 AUUKWUUZNUNNJN-SSDOTTSWSA-N 487.429 7.188 50 10 JKGE CCN(C[C@](C)(CI)OC[C@H]1CC12CCCCC2)C(=O)OC(C)(C)C 2077649046 LBUQVECJBICENJ-APWZRJJASA-N 465.416 5.424 50 10 JKGE Cc1cc(F)c([C@@H](Br)Cc2ccccc2I)cc1Cl 2087570067 NIKFCHZNMRTLJP-LBPRGKRZSA-N 453.520 6.071 50 10 JKGE CC(C)Cc1ccc([C@H](Br)c2c(Br)cccc2Br)s1 2094096372 WZUNQALLGCXWRQ-HNNXBMFYSA-N 467.064 6.956 50 10 JKGE COc1cc(Br)c(C)cc1[C@H](Br)c1cc(Br)sc1C 2095697144 SKQGSWXPTUHBTF-CQSZACIVSA-N 469.036 6.383 50 10 JKGE FC1(F)C[C@]12CC[C@H]([C@@H](Cl)c1c(Br)sc(Br)c1Br)C2 2099913889 BKSVJOWQMFOTHQ-UHQICPFZSA-N 499.440 7.141 50 10 JKGE Cc1ccc([C@@H](Br)c2cc(I)ccc2F)c(C)c1Br 2113350366 CVSGPFJTQWAXAH-OAHLLOKOSA-N 497.971 6.294 50 10 JKGE Cc1c(Br)sc([C@@H](Br)C2(C)CCCCCCC2)c1Br 2116024368 YUQNENLMUXVGAM-CYBMUJFWSA-N 473.112 7.768 50 10 JKGE Cc1cc(Br)c([C@@H](Br)C2CCC(F)(F)CC2)cc1Br 2121100391 HKWXGEJSTHLDLX-ZDUSSCGKSA-N 460.982 6.782 50 10 JKGE COC[C@@H]1CC[C@@H]([C@@H](Br)c2cc(Br)c(C)cc2Br)C1 2125331159 XVFVRTPSJWISBX-UEKVPHQBSA-N 455.028 6.019 50 10 JKGE CC[C@@H](C[C@@H](Br)c1ccc(Br)c(C)c1Br)C(C)(C)C 2138869191 YNOFHBRIJKUITK-SMDDNHRTSA-N 455.072 7.418 50 10 JKGE C[C@H](Cl)c1nc2cc(I)ccc2n1[C@H]1CCOC[C@H]1OCc1ccccc1 2146523632 PPOVZIPHUIBOJC-PNHOKKKMSA-N 496.776 5.488 50 10 JKGE Cc1c(Br)sc([C@H](Br)[C@@H]2C[C@@H]3CCCCCC[C@@H]32)c1Br 2166120398 SVFLUXJLGWLYKJ-CIQGVGRVSA-N 485.123 7.624 50 10 JKGE CCOc1ccc(Br)cc1[C@@H](Br)c1c(Cl)cccc1Br 2169463957 OQLCHNDFKAFGCX-OAHLLOKOSA-N 483.425 6.748 50 10 JKGE C[C@H](Cl)c1nc2ncccc2n1-c1ccc(I)c(Br)c1 2175999011 XXNKYJDFPPNGAZ-QMMMGPOBSA-N 462.516 5.087 50 10 JKGE C[C@H](c1cccs1)N(Cc1ccccc1)S(=O)(=O)c1ccc(F)c(CBr)c1 2179786941 HWHVVLFDNXXHCN-OAHLLOKOSA-N 468.413 5.734 50 10 JKGE Brc1ccccc1[C@H](CI)O[C@@H]1CCOC2(CCC2)C1 2197371534 ZBEHRJOVJWHTEM-DOMZBBRYSA-N 451.142 5.044 50 10 JKGE COc1cc(Cl)c([C@@H](Br)c2ccc(Br)c(C)c2)cc1Br 2202354004 VHNDZNLVDHAEFW-HNNXBMFYSA-N 483.425 6.666 50 10 JKGE Cc1c(Br)ccc([C@H](Br)c2csc3ccccc23)c1Br 2203687254 QVTVQHZSDKDPCP-INIZCTEOSA-N 475.043 7.219 50 10 JKGE COc1cc(F)c(F)cc1[C@H](Cl)c1ccc(I)c(Br)c1 2204493955 ALUBXSHBCRYSFB-CQSZACIVSA-N 473.482 5.669 50 10 JKGE COc1c(C)cc(Br)cc1[C@H](Br)c1ccc(F)c(Br)c1 2206573359 ZTCGALPOYXSERB-CQSZACIVSA-N 466.970 6.152 50 10 JKGE COc1c(C)cc(Br)cc1[C@H](Cl)c1cc(Cl)ccc1I 2206586128 HZVRLFZKZNQVOF-CQSZACIVSA-N 485.974 6.352 50 10 JKGE Fc1cc([C@H](Cl)c2ccc(Br)cc2I)c(F)c(F)c1F 2207274449 BILMJBCEZYJQDF-SNVBAGLBSA-N 479.436 5.938 50 10 JKGE CC[C@H]([C@@H](Br)c1cc(Br)c(Br)cc1F)C(C)(F)F 2218596806 HUPNTSTZQWRSAO-HQJQHLMTSA-N 452.934 6.468 50 10 JKGE Cc1c(Br)sc([C@H](Br)c2ccc(F)cc2Br)c1C 2218791896 VDHWDDRVHWKTRI-LLVKDONJSA-N 457.000 6.513 50 10 JKGE Fc1cc(Br)c(Br)cc1[C@H](Br)[C@@H]1OC[C@@H]2CCC[C@@H]21 2225620318 TUEKKZLVCMNVMI-WKYFLPQNSA-N 456.975 5.602 50 10 JKGE O=[N+]([O-])c1ccc(C[C@H](Br)c2sccc2I)c(F)c1 2229140107 HYWCVFBPKVIRSD-VIFPVBQESA-N 456.074 5.079 50 10 JKGE Brc1c([C@@H](Br)c2ccccc2I)ccc2c1CCO2 2229742461 SXVDUWVTAYDLKC-AWEZNQCLSA-N 493.964 5.473 50 10 JKGE C[C@@H](CCCCCI)NCc1c(Br)sc2ccccc12 2232935389 XTRXNTMMHCXHJM-LBPRGKRZSA-N 466.226 6.137 50 10 JKGE Cc1cc2nc(CCCl)n(C[C@@H]3CC3(Br)Br)c2cc1Br 2233037963 DMOPVAGRYQGLSE-VIFPVBQESA-N 485.445 5.395 50 10 JKGE Cc1cc(Br)c([C@H](Br)C2(S(C)(=O)=O)CCC2)c(C)c1Br 2235600672 RKTNRJCFGZCPST-ZDUSSCGKSA-N 489.067 5.232 50 10 JKGE Clc1cccc([C@H](Br)Cc2ccc(Br)cc2)c1Br 2256142051 NUKAOBKLCFAMLT-GFCCVEGCSA-N 453.399 6.544 50 10 JKGE COc1ccc([C@@H](Cl)c2ccccc2I)cc1I 2257370617 TVXSPEOKAFKFPF-CQSZACIVSA-N 484.502 5.233 50 10 JKGE COc1ccc([C@H](Br)c2cc3sccc3s2)cc1I 2269550412 ZSKZRPQDSJPZNF-AWEZNQCLSA-N 465.175 6.060 50 10 JKGE Cc1sc([C@H](Cl)Cc2cc(Br)cc(Br)c2)c(C)c1Br 2277886497 AWJOLXLAXVAXGA-GFCCVEGCSA-N 487.482 7.175 50 10 JKGE C[C@@]12CC[C@@]([C@@H](Br)Cc3cc(Br)cc(Br)c3)(CO1)C2 2277946290 BXGJVQCWUYGOLJ-KKUMJFAQSA-N 453.012 5.477 50 10 JKGE COc1ccc(Oc2ccc(CBr)c(Br)c2)cc1Br 2278056590 ZRGJPYQFZZGIER-UHFFFAOYSA-N 450.952 5.907 50 10 JKGE Cc1cc(Br)c(C)c([C@H](Br)C2CC(S(C)(=O)=O)C2)c1Br 2285392309 XWOIQNUWLREOHS-RPFQZYLTSA-N 489.067 5.088 50 10 JKGE COc1c([C@H](Br)c2cc(I)cc3c2OCC3)csc1C 2287321599 WWFYCATWVZRUKE-CYBMUJFWSA-N 465.150 5.089 50 10 JKGE Cc1ccc(NC(=O)C(C#N)=Cc2cc(Br)c(Sc3ccc(Cl)cc3)o2)cc1 2294155961 QYZVYZQNUZWAJU-UHFFFAOYSA-N 473.779 6.701 50 10 JKGE COc1cc(C)c(Cl)cc1[C@@H](Br)c1cc(Br)cc(Br)c1 2295378238 NUALDTRUKUEJCO-HNNXBMFYSA-N 483.425 6.666 50 10 JKGE CCc1ccc(NC(=O)C(C#N)=C2S[C@@H](Cc3ccccc3)C(=O)N2c2ccccc2)cc1 2296048066 WLNUNOWEHUOZKF-DEOSSOPVSA-N 453.567 5.314 50 10 JKGE COc1cc(C=C(C#N)C(=O)Nc2ncc(Cc3ccc(C)cc3)s2)ccc1OCc1ccccc1 2296825620 FJWDFGZYTHCCDR-UHFFFAOYSA-N 495.604 6.176 50 10 JKGE Cc1cc2oc(=O)cc(COC(=O)C(C#N)=Cc3cc(C)n(CC(C)C)c3C)c2cc1Cl 2297363977 VFVRJQJNPFBEMV-UHFFFAOYSA-N 452.938 5.480 50 10 JKGE CCCn1c(C)cc(C=C(C#N)C(=O)N(Cc2ccccc2)c2nc3ccc(OC)cc3s2)c1C 2297367520 AJNPNVJSQIHEHN-UHFFFAOYSA-N 484.625 6.274 50 10 JKGE C[C@@H]1C[C@H]([C@@H](Br)c2cc(Br)ccc2OCc2ccccc2)CCO1 2299488857 KJYOYYALKVXROE-AKCHCHLHSA-N 454.202 6.279 50 10 JKGE N#CC(=Cc1cn(CCCOc2ccccc2Cl)c2ccccc12)C(=O)NCc1cccs1 2313624610 XQUXDUWENQEZBH-UHFFFAOYSA-N 476.001 6.049 50 10 JKGE N#CC(=Cc1cc(Cl)ccc1OCc1cccc(Cl)c1)C(=O)Nc1ccc(Cl)c(Cl)c1 2313631410 PWNFPJHORRAONB-UHFFFAOYSA-N 492.189 7.425 50 10 JKGE Cc1cc(C)c(-c2nn(-c3ccccc3)cc2C=C(C#N)c2nc(O)c3ccccc3n2)c(C)c1 2314433937 XRTLOCZUBPMQMA-UHFFFAOYSA-N 457.537 6.178 50 10 JKGE FC1(F)CCC[C@@H]1C[C@@H](Br)c1cc(Br)ccc1OCc1ccccc1 2314453174 UEBAXKMKFZQEGF-CRAIPNDOSA-N 474.183 7.290 50 10 JKGE C[C@@H](C1CCCCC1)[C@H](Br)c1cc(Br)ccc1OCc1ccccc1 2314456416 WXUVLQCYWIWHJX-AOMKIAJQSA-N 466.257 7.681 50 10 JKGE C[C@]1(C(F)(F)F)C[C@@H]1[C@@H](Br)c1ccc(OCc2ccccc2)cc1Br 2314497219 IVEZNWAAZJZWGH-NJAFHUGGSA-N 478.146 7.053 50 10 JKGE CC1(C)[C@H]2C[C@H]([C@@H](Br)c3ccc(OCc4ccccc4)cc3Br)C[C@H]21 2314502806 MBXXRBGGGJAOTO-KBMWQNTOSA-N 464.241 7.146 50 10 JKGE CCOc1ccc(C=C(C#N)C(=O)N(c2cccc(C)c2C)S(=O)(=O)c2ccccc2)cc1OC 2314777879 YXVMLWJIQFPVKC-UHFFFAOYSA-N 490.581 5.040 50 10 JKGE CC1(C)CC([C@@H](Br)c2c(Cl)cc(Br)c(F)c2Br)C1 2315439134 AAGWNTCRVBMQNL-SNVBAGLBSA-N 463.410 6.876 50 10 JKGE BrC[C@@H](Cc1nc(Br)cs1)Cc1ccccc1Br 2320033420 CYGPLYFKGWIRGY-SECBINFHSA-N 454.025 5.464 50 10 JKGE CC[C@H](Br)CN(Cc1ccc(I)c(Br)c1)C1CC1 2325219781 AZYNSXXUIWKENZ-NSHDSACASA-N 487.017 5.192 50 10 JKGE CCCCc1ccc(-c2csc(C(C#N)=C(O)CNS(=O)(=O)c3ccc(C)cc3)n2)cc1 2331259464 IGBATDUWBAAXLR-UHFFFAOYSA-N 467.616 5.232 50 10 JKGE COc1cc(C=CC(O)=C(C#N)c2nc(C(C)(C)C)cs2)ccc1OCc1ccc(Cl)cc1 2331307176 OAUNSGZPBBLBNU-UHFFFAOYSA-N 481.017 7.188 50 10 JKGE Cc1ccc(-c2csc(C(C#N)=C(O)C=Cc3ccc(OCc4ccccc4Cl)cc3)n2)cc1 2331312402 QQVCWFBBRBDVMH-UHFFFAOYSA-N 485.008 7.857 50 10 JKGE CCOc1ccc(C=C(C(O)=C(C#N)c2nc(-c3cc(C)ccc3C)cs2)c2ccccc2)cc1 2331319586 MUIWMKKLTWRQDV-UHFFFAOYSA-N 478.617 7.859 50 10 JKGE CC(C)(C)c1ccc(-c2csc(C(C#N)=C(O)CCCOc3ccc(Cl)cc3Cl)n2)cc1 2331332707 ACQXIMYGNJDUIK-UHFFFAOYSA-N 487.452 8.066 50 10 JKGE COc1ccc(Cl)cc1N1C[C@H](C(O)=C(C#N)c2nc(-c3c[nH]c4ccccc34)cs2)CC1=O 2331346749 IBMHLKQISCWPFP-CQSZACIVSA-N 490.972 5.799 50 10 JKGE COc1cc(Cl)c(C)cc1-c1csc(C(C#N)=C(O)CCCOc2ccc(Cl)cc2)n1 2331390095 IIKCVJVEWVSJRR-UHFFFAOYSA-N 475.397 7.086 50 10 JKGE COc1cc(C=CC(O)=C(C#N)c2nc(-c3cc(Cl)cc(C)c3OC)cs2)ccc1OC(C)=O 2331391837 LMIOENXDPLAEDP-UHFFFAOYSA-N 496.972 6.221 50 10 JKGE COc1ccc(-c2csc(C(C#N)=Cc3cccc(OC)c3OCc3cccc(C)c3)n2)cc1F 2331455657 DVGWMSCFECGANT-UHFFFAOYSA-N 486.568 6.918 50 10 JKGE COc1cc(-c2csc(C(C#N)=Cc3ccc(Cl)c(Cl)c3)n2)c(OC)cc1Cl 2331471224 XYXSURSQHABVFR-UHFFFAOYSA-N 451.762 6.852 50 10 JKGE COc1cc(-c2csc(C(C#N)=Cc3ccc(Cl)cc3Cl)n2)c(OC)cc1Cl 2331471238 ZHKOSPXUHHPZNA-UHFFFAOYSA-N 451.762 6.852 50 10 JKGE COc1ccc(-c2csc(C(C#N)=Cc3ccc(OC(=O)c4ccccc4)cc3)n2)c(OC)c1 2331473435 WIXWDEZGEOKCSE-UHFFFAOYSA-N 468.534 6.111 50 10 JKGE Cc1cc(Br)c(C)c([C@@H](Br)C[C@@H]2C[C@H]2C2CC2)c1Br 2332925849 SIKMJWYJSVNYEB-OBJOEFQTSA-N 451.040 6.701 50 10 JKGE Brc1ccc(OCc2ccccc2)c([C@H](Br)c2ccc3c(c2)CCO3)c1 2336046552 FLDJRZVHSCSXDU-JOCHJYFZSA-N 474.192 6.447 50 10 JKGE Fc1c(Br)cc(Cl)c([C@@H](Br)[C@@H]2[C@H]3COCC[C@H]32)c1Br 2337086316 KGCVIDJLDZZQMV-IZGLABOVSA-N 477.393 5.723 50 10 JKGE Fc1c(Br)cc(Cl)c([C@@H](Br)[C@@]23CCOC[C@@H]2C3)c1Br 2337106861 MXVONMUCTLTGEW-WBKRDIRUSA-N 477.393 5.867 50 10 JKGE Cc1c(F)ccc([C@@H](Cl)c2ccc(OCc3ccccc3)cc2Br)c1Cl 2338566474 NJROMXDIFLKAEN-NRFANRHFSA-N 454.166 7.457 50 10 JKGE Cn1nc(Br)c(Br)c1[C@H](Cl)c1cc(Cl)c(F)cc1Cl 2338721481 YWYNARXPAMHAKK-SECBINFHSA-N 451.348 5.719 50 10 JKGE C[C@H](Cl)CN(Cc1ccc(I)c(Br)c1)CC(C)(C)C 2349834398 ZILXTWNMUPNMOH-NSHDSACASA-N 458.609 5.529 50 10 JKGE Cc1sc([C@H](Cl)c2c(F)cc(Cl)c(Br)c2Cl)c(Br)c1C 2360488223 CKTTUVQKGGTWBG-GFCCVEGCSA-N 481.439 7.664 50 10 JKGE CCCN[C@H](c1c(Cl)cc(Br)c(F)c1Br)[C@H]1C[C@H](Br)C1 2362249729 HUXSFTNWEAUIAA-FZVNPBSJSA-N 492.452 6.218 50 10 JKGE CC(C)[C@H](NC(=O)OC(C)(C)C)c1csc(NC(=O)[C@H](Br)C2CCCC2)n1 2362644437 DXKDKSPWTFZYQB-CABCVRRESA-N 460.438 5.257 50 10 JKGE FC1(F)C2(CCC2)C12CC([C@H](Br)c1sc(Cl)cc1I)C2 2363876512 DHBNFRAAQZSEMK-JRIBOLAGSA-N 493.582 6.658 50 10 JKGE C[C@@H]1CCC[C@@]12[C@@H](OCc1ccc(Cl)cc1I)C[C@H]2Br 2365647725 MMJUIELRAVRCGT-HGGPSHQYSA-N 469.588 5.803 50 10 JKGE COc1cc([C@H](Br)c2cc(Cl)cc(Br)c2OC)sc1Cl 2365835525 HKLURLFXXWQIFR-LLVKDONJSA-N 461.002 6.319 50 10 JKGE Cc1cccc(C[C@@H](CBr)Cc2ccc(Cl)cc2I)c1 2366712427 OOFFAFQPYIUNBD-CQSZACIVSA-N 463.584 6.049 50 10 JKGE C/C(=N\NC(=O)COc1ccc(Br)cc1Cl)c1ccc(-c2ccccc2)cc1 13977921 AOMKRCWABLTZLF-MFKUBSTISA-N 457.755 5.689 50 10 JKGE CCCCCCOc1ccc(C(=O)NNC(=O)c2ccc(OCCC)c(Br)c2)cc1 14647400 XYCPRGRVHPKNPA-UHFFFAOYSA-N 477.399 5.272 50 10 JKGE Cc1cc(C)c(N/C(SCc2ccc(Cl)cc2)=C(/C#N)S(=O)(=O)c2ccccc2)c(C)c1 20325751 BUHBPFTXCXUGIU-WJTDDFOZSA-N 483.058 6.777 50 10 JKGE CCOC(=O)c1c(NC(=O)/C(C#N)=C\c2ccc(OC(=O)c3ccc(C)cc3)cc2)sc(C)c1C 33343172 SLXZXOZXXDDDRT-STZFKDTASA-N 488.565 5.615 50 10 JKGE Cc1ccc(Cl)cc1NC(=O)/C(C#N)=C\c1cn(Cc2cccc3ccccc23)c2ccccc12 33567572 RSJIIOOJDKSIHD-HAHDFKILSA-N 475.979 7.350 50 10 JKGE Cc1ccc(Oc2nc3c(C)cccn3c(=O)c2/C=C(/C#N)c2nc3ccccc3s2)cc1 33727881 JNCVMAWGFABSEY-JXAWBTAJSA-N 450.523 5.778 50 10 JKGE 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(O)C1 34450719 KWHDUNLIEHDJHD-BSMCXZHXSA-N 481.161 7.372 50 10 JKGE N#C/C(=C\c1cn(-c2ccccc2)nc1C12CC3CC(CC(C3)C1)C2)C(=O)NCc1ccccc1 35447047 QYZZHFXKZFKIBG-AFUMVMLFSA-N 462.597 5.563 50 10 JKGE N#CC1=C(N)Oc2cc(OC(=O)COc3ccccc3)ccc2[C@H]1c1cccc(Oc2ccccc2)c1 38660785 DRUDPMUKVJWBGJ-GDLZYMKVSA-N 490.515 5.681 50 10 JKGE Cc1ccc2c(C)c(C(=O)Oc3ccc4c(c3)OC(N)=C(C#N)[C@H]4c3ccc(Cl)cc3)oc2c1C 38687814 KYIMOLOTZQQGEN-DEOSSOPVSA-N 484.939 6.449 50 10 JKGE Cc1ccc(NC(=O)/C(C#N)=C\c2ccc(OCc3ccccc3F)c(Br)c2)cc1 59335202 BXIUCIRXQRTECI-UNOMPAQXSA-N 465.322 6.021 50 10 JKGE CC(C)(C)c1ccc(SSc2ccc(C(C)(C)C)c(O)c2C(C)(C)C)c(C(C)(C)C)c1O 60217044 MNKHVQXRRJQAEE-UHFFFAOYSA-N 474.776 9.087 50 10 JKGE in-vitro N#C/C(=C/c1ccc(-c2ccc(Cl)cc2Cl)o1)C(=O)NCCc1c[nH]c2ccccc12 96469226 HDUOYIBAVLBGJT-WJDWOHSUSA-N 450.325 6.001 50 10 JKGE BrC[C@H](Cc1cc(Br)cs1)Cc1ccccc1Br 97185933 HIUODQJVZGGXEU-JTQLQIEISA-N 453.037 6.069 50 10 JKGE Cc1c(NC(=O)/C(C#N)=C\c2ccc(-c3cc(Cl)ccc3Cl)o2)c(=O)n(-c2ccccc2)n1C 97293009 XXVLIZSZTOUQJL-VBKFSLOCSA-N 493.350 5.597 50 10 JKGE Brc1ccc([C@H](Br)c2cc3c(cc2Br)OCCO3)s1 104032331 ZZJXZHCKZOGBNX-CYBMUJFWSA-N 468.992 5.529 50 10 JKGE FC(F)(F)c1ccc(C[C@@H](Br)c2ccc(I)cc2)cc1 110302692 GOMPBWFOHQPROX-CQSZACIVSA-N 455.055 5.989 50 10 JKGE ClCCc1nc2ccc(Br)cc2n1-c1ccc(I)cc1 115769930 YYVGAHJZURMALQ-UHFFFAOYSA-N 461.528 5.174 50 10 JKGE Cc1cc([C@H](Br)c2cc(Br)ccc2Cl)sc1Br 126219589 LOPWOXSQNFOTKF-LLVKDONJSA-N 459.428 6.719 50 10 JKGE COc1cccc(OC)c1[C@H](Br)c1cc(Br)c(Br)s1 128258288 OILNLWBOZRZHFX-GFCCVEGCSA-N 471.008 5.775 50 10 JKGE CC1(C)C(=O)Nc2ccc([C@@H](Br)c3cc(Br)c(Br)s3)cc21 128572150 QYFAYNJGPGWDRX-GFCCVEGCSA-N 494.046 5.987 50 10 JKGE Cc1cc(Br)c([C@H](Cl)c2cc(Br)c(Br)s2)s1 128875330 CFHGGFLPEDSRKE-MRVPVSSYSA-N 465.457 6.734 50 10 JKGE O=C(NCc1cccc(CBr)c1)c1cc(Br)ccc1Br 161222611 UBZZRGFPVQBFFD-UHFFFAOYSA-N 461.979 5.037 50 10 JKGE Cc1cccc([C@H](Br)c2cc(Br)c(Br)s2)c1Cl 163013343 VVYWLPICGRIVLN-JTQLQIEISA-N 459.428 6.719 50 10 JKGE CCOc1ccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)/C=C\c4ccc(C)cc4)ccc32)cc1 205660812 HLJPCUSKLXMCGP-NSVNLEFRSA-N 452.510 5.231 50 10 JKGE CC(=O)c1ccc(-c2ccc(/C=C3\C(=O)N(Cc4ccc(C)cc4)C(=O)C(C#N)=C3C)o2)cc1 214380596 CWLOZHUPVVXOCK-OYKKKHCWSA-N 450.494 5.250 50 10 JKGE O=C(N[C@H]1CCCCC[C@H]1Br)c1cc(Br)cc(Br)c1 232485390 QYMNHAGWGYRRHB-OLZOCXBDSA-N 454.000 5.038 50 10 JKGE CCOc1cc(C=NNC(=O)c2cc3c(ccc4ccccc43)o2)ccc1OCc1ccccc1C#N 252588320 AAIAILIHTOYWOQ-UHFFFAOYSA-N 489.531 6.199 50 10 JKGE COc1ccc(-c2nnc(SCC(=O)NN=C/C(C)=C\c3ccccc3)n2-c2ccc(C)cc2)cc1 254399790 CQEDDUJKQIVSAB-SYSHTYQLSA-N 497.624 5.549 50 10 JKGE O=C(CSc1nnc(SCc2cccc3ccccc23)s1)NN=Cc1cccc([N+](=O)[O-])c1 254703732 MDISNGYANZODOB-UHFFFAOYSA-N 495.611 5.134 50 10 JKGE C[C@H]([C@@H]1CCN(Cc2ccccc2)C1)n1c(CCl)nc2cc(I)ccc21 311659818 NQIQISRKWGKYPS-NVXWUHKLSA-N 479.793 5.463 50 10 JKGE C[C@@H](Cl)c1nc2cc(Br)c(F)cc2n1C1CCN(Cc2ccccc2)CC1 382680541 BHJVIQVRQWHWDQ-CQSZACIVSA-N 450.783 6.075 50 10 JKGE CC(C)(C)OC(=O)N1C[C@@H](CBr)[C@@H](c2cc(Br)ccc2Cl)C1 382701791 ZOKQFZFQEXEZTN-MFKMUULPSA-N 453.602 5.448 50 10 JKGE COc1cc(Cl)ccc1[C@H]1CN(C(=O)OCc2ccccc2)C[C@@H]1CI 382716635 KXSYXDMIVGPIKI-YJBOKZPZSA-N 485.749 5.136 50 10 JKGE C[C@@H](Cl)c1nc2c(Cl)cccc2n1CCCN(Cc1ccccc1)Cc1ccccc1 390468456 BEHOYVFYOVEQEF-HXUWFJFHSA-N 452.429 7.082 50 10 JKGE C[C@H](Cl)c1nc2cc(Br)cnc2n1CCCN(Cc1ccccc1)Cc1ccccc1 390491083 AGQLOFIFWGGVNJ-IBGZPJMESA-N 497.868 6.586 50 10 JKGE ClCCc1nc2cc(Br)ccc2n1CCCOCCOCc1ccccc1 390608160 DHWHEEQCOGHNHW-UHFFFAOYSA-N 451.792 5.204 50 10 JKGE Cc1c(Br)cccc1[C@H](Br)c1cc(Cl)c(Cl)c(Cl)c1Cl 404671549 YFDAMSAIKIWUSN-NSHDSACASA-N 477.838 7.855 50 10 JKGE CC(C)(C)OC(=O)NCCN1CCO[C@@H](c2ccccc2CO[Si](C)(C)C(C)(C)C)CC1 616594352 FKAWDUWKPIGLOM-JOCHJYFZSA-N 464.723 5.497 50 10 JKGE CCC(F)(F)C(C)(C)[C@H](Br)c1cc(I)cc2c1OCC2 691609085 UZIOPCPZPOTHSF-CYBMUJFWSA-N 459.112 5.734 50 10 JKGE CC1(C)C[C@H](Br)C[C@@H](NC(=O)c2ccc(I)c(Cl)c2)C1 693889591 FCPLTLDYBVSDSQ-GHMZBOCLSA-N 470.576 5.017 50 10 JKGE Cc1c(C)c(C)c([C@@H](Br)c2scc(Br)c2Br)c(C)c1C 705467967 YGCBGZTWCMRPKN-OAHLLOKOSA-N 481.091 7.300 50 10 JKGE O=C(NCC1CCCCC1)[C@@H](c1cccs1)N(C(=O)CCl)c1cccc(C(F)(F)F)c1 725238178 QMTWCIVKAIQZBJ-HXUWFJFHSA-N 472.960 5.777 50 10 JKGE Cc1ccc(-n2c(C)cc(/C=C(\C#N)C(=O)Nc3cccc(Cl)c3Cl)c2C)cc1[N+](=O)[O-] 1084229848 PQZPNSRFZXRSNQ-LICLKQGHSA-N 469.328 6.163 50 10 JKGE Cc1ccc(NC(=O)NN=Cc2cc(Br)c(Sc3ccc(Cl)cc3)o2)cc1 1084345219 GYLOFGBVMCSIEO-UHFFFAOYSA-N 464.772 6.311 50 10 JKGE COc1cccc(C=NNC(=O)CSc2nc3ccccc3s2)c1OCCc1ccccc1 1772760529 UQPLIGWCLXHTEV-UHFFFAOYSA-N 477.611 5.169 50 10 JKGE COc1ccc(-c2nn(CC(C)C)c3c2[C@H](c2ccc(C(C)(C)C)cc2)C(C#N)=C(N)O3)cc1 1865682060 DVSKEHTXXXLMBO-HSZRJFAPSA-N 456.590 5.730 50 10 JKGE N#CC1=C(N)Oc2c(c(-c3ccccc3)nn2Cc2c(F)cccc2Cl)[C@H]1c1ccc(O)cc1 1865684573 SFGNEUJKCAFWEO-QFIPXVFZSA-N 472.907 5.315 50 10 JKGE CCc1nn(Cc2ccc(Cl)c(Cl)c2)c2c1[C@H](c1c(F)cccc1Cl)C(C#N)=C(N)O2 1865685053 CZQKRMLWZPENFR-SFHVURJKSA-N 477.754 5.811 50 10 JKGE N#CC1=C(N)Oc2c(c(-c3ccccc3)nn2-c2ccccn2)[C@H]1c1c(Cl)cccc1Cl 1865685396 IDZWZYNVLWKOEU-LJQANCHMSA-N 460.324 5.459 50 10 JKGE CCCc1nn(-c2cccc3ccccc23)c2c1[C@@H](c1c(Cl)cccc1Cl)C(C#N)=C(N)O2 1865685440 IUWOZLOQOAWWMH-JOCHJYFZSA-N 475.379 6.503 50 10 JKGE CCCc1nn(Cc2cccc(F)c2)c2c1[C@@H](c1ccc(OCc3ccccc3)cc1)C(C#N)=C(N)O2 1865690563 VAOACUHCEAIHOT-MHZLTWQESA-N 494.570 5.820 50 10 JKGE CCOc1ccc([C@@H]2C(C#N)=C(N)Oc3c2c(C(F)(F)F)nn3-c2ccc(Cl)c(Cl)c2)cc1 1865693866 MGIFAPBMZRDTPE-QGZVFWFLSA-N 495.288 5.815 50 10 JKGE COc1ccc(-c2nn(-c3cccc4ccccc34)c3c2[C@H](c2sccc2C)C(C#N)=C(N)O3)cc1 1865699377 SGIOOYSSECWIMU-XMMPIXPASA-N 490.588 6.289 50 10 JKGE N#CC1=C(N)Oc2c(c(-c3ccccc3)nn2Cc2ccc(F)cc2)[C@@H]1c1ccc(F)cc1F 1865702072 MCJWNHCVSDWUTC-JOCHJYFZSA-N 458.443 5.234 50 10 JKGE CCCc1nn(-c2cccc3ccccc23)c2c1[C@@H](c1ccc(Cl)c([N+](=O)[O-])c1)C(C#N)=C(N)O2 1865706069 MUUXIKFSLLBUFH-QHCPKHFHSA-N 485.931 5.758 50 10 JKGE CCCc1nn(-c2cccc(Cl)c2)c2c1[C@@H](c1cccc(OCc3ccccc3)c1)C(C#N)=C(N)O2 1865711759 HLWQMBXVEZLIPY-SANMLTNESA-N 496.998 6.275 50 10 JKGE Cc1ccc(-c2ccc(C(=O)NNC(=O)/C=C/c3ccc(OCc4ccccc4)cc3)c(C)n2)cc1C 1865756173 JZYLTLBKGVTILE-LDADJPATSA-N 491.591 5.727 50 10 JKGE N#C/C(=C\c1cccc(Br)c1)C(=O)Nc1cc(C(F)(F)F)ccc1N1CCCCC1 1866131016 VGKXZSWGBFQAHS-LFIBNONCSA-N 478.312 6.004 50 10 JKGE CCC[C@@H](NC(=O)[C@H](c1ccc(Br)cc1)C(C)C)C(=O)Nc1ccc(SC#N)cc1 1866975943 VSQBGBHJCSACQF-RTWAWAEBSA-N 488.451 5.685 50 10 JKGE COc1cccc([C@H](C)CC(=O)N[C@H](Cc2ccccc2)C(=O)Nc2ccc(SC#N)cc2)c1 1867110685 KFSDZTXELZJCOH-KBMIEXCESA-N 473.598 5.128 50 10 JKGE CCCc1nc(Nc2ccc(SC#N)cc2)cc(N2C[C@@H](c3ccccc3)Cc3ccccc32)n1 1868388245 GQDSZKVHOXLAET-QHCPKHFHSA-N 477.637 7.224 50 10 JKGE CCCc1nc(Nc2ccc(SC#N)cc2)cc(N2CCC[C@@H]2c2ccc(C(F)(F)F)cc2)n1 1868388346 JAWBYFJDZYPMOX-OAQYLSRUSA-N 483.563 7.106 50 10 JKGE C[C@H]1Cc2ccccc2N(c2cc(Nc3ccc(SC#N)cc3)nc(-c3ccc(Cl)cc3)n2)C1 1868434028 VKADLJHBNOUZNX-SFHVURJKSA-N 484.028 7.444 50 10 JKGE COc1cccc(Oc2c(C(F)(F)F)oc3cc(OC(=O)C(Cl)Cl)ccc3c2=O)c1 1871385046 CLJKPZBFHJKVHH-UHFFFAOYSA-N 463.191 5.322 50 10 JKGE CCOc1ccc(-c2csc(/C(C#N)=C(\O)CCCOc3ccc(Cl)cc3)n2)c(OCC)c1 1872755527 ROBFQWORIHNLHM-LNVKXUELSA-N 485.005 6.913 50 10 JKGE COc1cc(OC)c(-c2csc(/C(C#N)=C(O)/C=C/c3ccc([N+](=O)[O-])cc3)n2)cc1Cl 1872756303 HEHBOBAMNUXDKN-BBQWOBQPSA-N 469.906 5.895 50 10 JKGE COc1c(C)cc(Cl)cc1-c1csc(/C(C#N)=C(\O)c2c(Cl)ccc(Cl)c2OC)n1 1872756948 JDKRWGJUSJPOOL-AQTBWJFISA-N 481.788 7.046 50 10 JKGE COc1c(C)cc(Cl)cc1-c1csc(/C(C#N)=C(\O)CCc2nc3ccccc3[nH]c2=O)n1 1872757071 PNGRCTPXUXEJPF-PGMHBOJBSA-N 478.961 5.443 50 10 JKGE CC[C@@H](C)N1C(=O)c2ccc(/C(O)=C(\C#N)c3nc(-c4cc(C)c(OC)cc4C)cs3)cc2C1=O 1872758434 ZVSWLTKIHGHBHD-VRYNMQIDSA-N 487.581 5.780 50 10 JKGE COc1ccc(Cl)cc1-c1csc(/C(C#N)=C(\O)COc2ccc(Cl)cc2Cl)n1 1872758969 YWDSREJISWIDDT-VKAVYKQESA-N 467.761 6.651 50 10 JKGE CCCCOc1ccc(/C=C(\C#N)c2nc(-c3cc(Cl)cc(C)c3OC)cs2)cc1OCC 1872794090 JQWQVEUYIBXIDQ-XDHOZWIPSA-N 483.033 7.422 50 10 JKGE CCCCOc1ccc(/C=C(\C#N)c2nc(-c3cc(Cl)cc(C)c3OC)cs2)cc1OC 1872794356 XBRWYBCVZMQLDZ-WOJGMQOQSA-N 469.006 7.032 50 10 JKGE Cc1cc([C@H](Br)c2cc(Br)ccc2Br)oc1Br 1917583736 ALUYHVGJXJALTL-LLVKDONJSA-N 487.811 6.360 50 10 JKGE CC(C)(C1CCCCC1)[C@H](Br)c1sc(Br)cc1Br 1922895507 WMOKCPYLAQVELJ-CYBMUJFWSA-N 459.085 7.316 50 10 JKGE Clc1c(Br)sc(Br)c1[C@@H](Br)[C@H]1C[C@@H]2O[C@H]1[C@H]1C[C@@H]21 1923066961 XCOQKHFYBYKKKC-IVYCMCDPSA-N 477.443 5.786 50 10 JKGE CC(C)(C)O[C@H]1C[C@@H]([C@H](Cl)c2c(Br)sc(Br)c2Br)C1 1924568236 DFUDKDLGPQDAMS-PJKMHFRUSA-N 495.502 6.909 50 10 JKGE BrCc1ccc(N(Cc2ccccc2)CC2CCCCC2)cc1Br 1946742792 SOQDTBOEEMCWOA-UHFFFAOYSA-N 451.246 6.931 50 10 JKGE Cl[C@H](c1cccc(OCc2ccccc2)c1)c1ccc(Br)cc1Br 2024295730 UKALBHGFCNREFX-HXUWFJFHSA-N 466.600 7.119 50 10 JKGE Cc1c(Br)sc([C@@H](Br)C23CC(C)(C2)O[C@H]3C)c1Br 2038995708 DKOVJGZYMMMKMM-UMWGNWOHSA-N 459.041 5.975 50 10 JKGE Clc1cccc(Br)c1[C@H](Br)Cc1ccncc1Br 2050315945 FGKZMFZHWTUUHU-SNVBAGLBSA-N 454.387 5.939 50 10 JKGE O=C(C=Cc1ccc(C[P+](c2ccccc2)(c2ccccc2)c2ccccc2)o1)c1ccco1 2052963887 WPTTVPWUEXPYFI-UHFFFAOYSA-N 463.493 6.263 50 10 JKGE Brc1cc(Br)c([C@@H](Br)C2CC3(C2)CC32CCC2)s1 2063996001 DAOCHFHFNFYEAG-PGMTZQPISA-N 455.053 6.680 50 10 JKGE CCn1ncc(Br)c1[C@H](Cl)c1ccc(Br)cc1Br 2083332946 DIFWXYZBGKIEIA-LLVKDONJSA-N 457.391 5.519 50 10 JKGE Cc1cc([C@H](Br)c2c(Cl)sc(Cl)c2Cl)ccc1I 2086022103 DZDJBAXATOBPIY-VIFPVBQESA-N 496.422 7.106 50 10 JKGE O=C(N[C@H]1CCCC[C@H]1CCBr)c1cc(Br)sc1Br 2090569398 UZCCHFKKANTEEF-WPRPVWTQSA-N 474.056 5.347 50 10 JKGE Brc1cccc(CN2C[C@H](Br)CC3(CCC3)C2)c1Br 2094996800 JHWRPBSBXDBDNZ-GFCCVEGCSA-N 452.028 5.351 50 10 JKGE C[C@H](Cl)c1nc2cc(Br)c(Cl)cc2n1[C@@H]1CC[C@@H]1OCc1ccccc1 2103806918 FCDNPWDDRGYSSS-WILYLXEWSA-N 454.195 6.672 50 10 JKGE Cl[C@H](c1c(Br)sc(Br)c1Br)[C@@H]1CCCCC12CCC2 2117006694 GLIOFQUPLGRDMH-KWQFWETISA-N 491.514 7.676 50 10 JKGE Clc1c(Br)sc(Br)c1[C@H](Cl)c1scc2c1CCCC2 2130575300 BJRLZYFMHHNTIV-VIFPVBQESA-N 461.071 7.195 50 10 JKGE Cc1cc(Br)c(C)c([C@H](Br)C2(C)CC(F)(F)C2)c1Br 2136371627 UUCCHUQPDNUTPC-LBPRGKRZSA-N 460.982 6.700 50 10 JKGE Cc1cc(Br)c(C)c([C@@H](Br)CC(F)(F)C(F)F)c1Br 2136379140 YVPOUVZKTHJYCK-QMMMGPOBSA-N 470.924 6.555 50 10 JKGE Cc1c(Br)ccc([C@H](Br)[C@@H]2[C@H](C)O[C@H](C)[C@H]2C)c1Br 2138853990 RNSGQTPSXURTSC-BVWZFGMISA-N 455.028 6.016 50 10 JKGE CO[C@@H]1CCC[C@H]([C@H](Br)c2ccc(Br)c(C)c2Br)C1 2138855521 XJAHKGKMSFOSOR-RWSFTLGLSA-N 455.028 6.161 50 10 JKGE Cc1c(Br)ccc([C@H](Br)[C@@H]2C[C@@H]3C[C@@H]3C[C@H]2C)c1Br 2138863553 MIIPKSPVNBTJRO-TXEIFBMNSA-N 451.040 6.638 50 10 JKGE Cc1c(Br)cccc1C[C@H](CBr)Cc1ccccc1Br 2143691150 IPWGXJUWACJCGZ-ZDUSSCGKSA-N 461.035 6.316 50 10 JKGE Cc1sc(Br)cc1[C@@H](Br)c1cc2c(cc1Br)OCCO2 2152047122 DGVONUZLBFKZIM-CQSZACIVSA-N 483.019 5.837 50 10 JKGE CC(C)(C)OC(=O)Nc1cccc([S@@](C)(=O)=NCC2(CBr)CCCCC2)c1 2163058291 JIVGFIVDWBJIOV-HHHXNRCGSA-N 459.450 5.836 50 10 JKGE C[C@H](Cl)c1nc2cc(Cl)c(Br)cc2n1-c1cscc1Br 2169014676 AWYUOPKZKWMYCZ-LURJTMIESA-N 455.002 6.565 50 10 JKGE CC1(C)C[C@H](CBr)CN(C(=O)c2cc(Br)ccc2Br)C1 2172585227 KAJICAPJXCQHSL-SNVBAGLBSA-N 468.027 5.095 50 10 JKGE Brc1ccc(CN2C[C@@H](Br)C3(CCCCC3)C2)c(Br)c1 2174372087 UURQWJZUEBWWRE-OAHLLOKOSA-N 466.055 5.741 50 10 JKGE C[C@@H](c1cscc1Br)n1c(CCl)nc2cc(I)ccc21 2186664506 SPYDAAFRMQZXNC-QMMMGPOBSA-N 481.584 5.813 50 10 JKGE C[C@H](CC(CBr)(CBr)c1cccc(Br)c1)OC(C)(C)C 2192208105 PXSQTYNPTFCFQC-GFCCVEGCSA-N 471.071 6.070 50 10 JKGE COc1cc2c(cc1Br)nc(CCCl)n2CCCN(C)Cc1ccccc1 2202310761 ZYQWHTVVDUNASG-UHFFFAOYSA-N 450.808 5.111 50 10 JKGE COc1cc(F)c([C@H](Br)c2ccc(F)cc2Br)cc1Br 2202903238 BFWFCXQKRIVIHA-CQSZACIVSA-N 470.933 5.983 50 10 JKGE Cc1c(Br)ccc([C@H](Br)[C@@H]2CC[C@H]3[C@H](C2)C3(F)F)c1Br 2203690355 DCZBSMMJCVSPOO-RTOGKPCTSA-N 472.993 6.637 50 10 JKGE O=C(c1cccc(Br)c1Br)N1CCCC[C@@H]1CCCBr 2206663434 BRTWQJPFSIPMAQ-LLVKDONJSA-N 468.027 5.381 50 10 JKGE CC(C)Cc1ccc([C@@H](Cl)c2ccc(Br)cc2I)cc1 2207272010 LKEFPSACVGNVIM-QGZVFWFLSA-N 463.584 6.580 50 10 JKGE Fc1cc(Br)c(Br)cc1[C@@H](Br)[C@H]1C[C@@H](Br)C1 2210477956 MHOCCRSXNJITLF-CPZGKSPBSA-N 479.807 5.960 50 10 JKGE ClCc1nc2cc(Br)ccc2n1C[C@H]1CC1(Br)Br 2217992746 ROEVJGUIYRSXEP-SSDOTTSWSA-N 457.391 5.044 50 10 JKGE CCOCc1cc(Br)c([C@H](Br)c2cc(Cl)sc2Cl)s1 2224781421 HAGJQADNCXJJFL-SNVBAGLBSA-N 465.059 6.900 50 10 JKGE CC1(C)CN(Cc2cccc(Br)c2Br)C[C@H]1CCBr 2230142960 ILTNEBOLRPIYIH-GFCCVEGCSA-N 454.044 5.455 50 10 JKGE C[C@@H]1C[C@H](n2c(CCl)nc3c(F)cc(Br)cc32)CCN1Cc1ccccc1 2232925638 ALUYGLFKDXOGQZ-RHSMWYFYSA-N 450.783 5.902 50 10 JKGE C[C@H](Cl)c1nc2ccc(F)c(Br)c2n1C[C@@H]1CC1(Br)Br 2233039014 JGLMINANAPHLQQ-BQBZGAKWSA-N 489.408 5.744 50 10 JKGE C[C@@]1([C@H](Br)c2cc(Br)c(Br)cc2F)CCCC(F)(F)C1 2233976624 PRLVEMRIJQYKEF-CHWSQXEVSA-N 478.972 7.002 50 10 JKGE CCC[C@H]1CC[C@H]([C@H](Br)c2cc(Br)c(Br)cc2F)CC1 2233977002 RXVPHNXUXGTIQV-MMPTUQATSA-N 471.046 7.393 50 10 JKGE Cc1cc(Br)c([C@@H](Br)C2CCC(F)(F)CC2)c(C)c1Br 2235602355 CYRQQIMKJFCXJD-AWEZNQCLSA-N 475.009 7.090 50 10 JKGE CC(C)(CCl)N(Cc1ccccc1)C(=O)c1ccc(Cl)c(I)c1 2243591194 PSFGAVXUWWRQMH-UHFFFAOYSA-N 462.158 5.604 50 10 JKGE Cc1cc(Cl)c(Cl)cc1[C@H](Br)c1ccc(I)cc1 2253414535 PLUUSOODMHHPDJ-CQSZACIVSA-N 455.948 6.391 50 10 JKGE Cc1cc(Br)c([C@@H](Br)c2cscc2Br)c(C)c1F 2253513417 QNAMSSXACPNQDJ-LBPRGKRZSA-N 457.000 6.513 50 10 JKGE CN(Cc1cccc(I)c1)c1cccc(Br)c1CBr 2265542518 BQZMQCMUNJZDHI-UHFFFAOYSA-N 494.996 5.585 50 10 JKGE CC(F)(F)C1([C@H](Br)c2c(F)cc(Br)c(F)c2Br)CC1 2272728799 ZBGBMNYYQNJFHM-SNVBAGLBSA-N 468.908 6.361 50 10 JKGE COc1sc([C@@H](Cl)Cc2cc(Br)cc(Br)c2)cc1Br 2277890958 XCKJSYLHFCLFMZ-NSHDSACASA-N 489.454 6.567 50 10 JKGE Brc1cc(Br)cc(C[C@@H](Br)[C@H]2C[C@@H]3CC[C@H](C2)O3)c1 2277957926 YPEPCBKSXOIFCK-QPKOPYBWSA-N 453.012 5.475 50 10 JKGE Cc1c(CBr)cccc1NC(=O)c1ccc(Br)cc1Br 2283556220 WTXDEGRQOFWZLI-UHFFFAOYSA-N 461.979 5.667 50 10 JKGE COc1ccc(Br)c2c1nc([C@@H](C)Cl)n2C[C@@H](C)N(C)Cc1ccccc1 2286086071 XEIJEXYQRPILEX-HUUCEWRRSA-N 450.808 5.628 50 10 JKGE COc1c(Br)cc(Cl)cc1[C@@H](Cl)c1cc(I)ccc1F 2295264761 JPHZNESFTCYTRA-ZDUSSCGKSA-N 489.937 6.183 50 10 JKGE N#CC(=Cc1ccc(OC(F)F)cc1)C(=O)Nc1cc2c(cc1Cl)C(=O)c1ccccc1C2=O 2297398983 AAISBRNPEBEAPQ-UHFFFAOYSA-N 478.838 5.262 50 10 JKGE BrC[C@H](Cc1sccc1I)c1ccccc1Br 2301052752 KEBTXEGPQLEWGF-VIFPVBQESA-N 486.010 5.836 50 10 JKGE Cc1c(Br)sc([C@@H](Br)C[C@@H]2CCC[C@@H]3C[C@H]23)c1Br 2309958302 YJXSWYAPEMCTTM-RCWTZXSCSA-N 457.069 6.844 50 10 JKGE COc1cccc(C=C(C#N)C(=O)Nc2ccc(Cl)c(Cl)c2)c1OCc1ccccc1Cl 2313630466 AIHNUWSJNVGBOM-UHFFFAOYSA-N 487.770 6.780 50 10 JKGE CCOc1cc(C=C(C#N)C(=O)Nc2cccc(C(F)(F)F)c2)ccc1OCc1cccc(C)c1 2313681051 BHUHQQGCKWAWTA-UHFFFAOYSA-N 480.486 6.537 50 10 JKGE Cc1ccc(Br)cc1[C@@H](Cl)c1cc(Br)ccc1OCc1ccccc1 2314449137 NLBMCQLXUBXCGP-OAQYLSRUSA-N 480.627 7.427 50 10 JKGE Brc1ccc(OCc2ccccc2)c([C@@H](Br)C[C@H]2CCC23CCC3)c1 2314460010 MOZMHSMCNJRVDY-XLIONFOSSA-N 464.241 7.435 50 10 JKGE N#CC(=Cc1ccccc1OCC(=O)Nc1ccccc1)c1nc(-c2ccc(Cl)cc2)cs1 2314487667 HFMTWXXQNSTIPB-UHFFFAOYSA-N 471.969 6.545 50 10 JKGE Brc1ccc(OCc2ccccc2)c([C@H](Br)[C@@H]2CC[C@@H]3C[C@H]2CO3)c1 2314494817 LTXOXXVMRSYNSX-NWUWZPLHSA-N 466.213 6.279 50 10 JKGE Cc1cccn2c(=O)c(C=C(C#N)C(=O)Nc3cccc(Cl)c3)c(Oc3ccc(Cl)cc3)nc12 2314532880 NTJOPQRXYDCYLO-UHFFFAOYSA-N 491.334 5.648 50 10 JKGE CCc1ccc(N2C(=O)[C@@H](Cc3ccccc3C)SC2=C(C#N)C(=O)Nc2cccc(C)c2)cc1 2314592315 QQOQLSLQIRENBG-AREMUKBSSA-N 481.621 5.931 50 10 JKGE CCc1ccc(N2C(=O)[C@@H](Cc3cccc(Cl)c3)SC2=C(C#N)C(=O)NCc2ccco2)cc1 2314593085 HJJPJSQGAROEOB-HSZRJFAPSA-N 492.000 5.238 50 10 JKGE CCOCCCN1C(=O)C(=Cc2ccc(-c3cccc(Cl)c3Cl)o2)C(C)=C(C#N)C1=O 2314617810 BHGKEAQGJLTRLU-UHFFFAOYSA-N 459.329 5.272 50 10 JKGE C[C@@H]1C[C@H]([C@@H](Br)c2c(Cl)cc(Br)c(F)c2Br)CO1 2315449719 SUVTXMIIVLEJCW-GOZTUDAPSA-N 465.382 5.865 50 10 JKGE COc1ccc(C(C#N)=Cc2ccc(OC(=O)c3c(OC)cccc3OC)c(OC)c2)cc1OC 2320506495 KXQWNKJCHXZEOY-UHFFFAOYSA-N 475.497 5.013 50 10 JKGE COc1ccc(C(C#N)=Cc2cccc(OC(=O)[C@H](C)Oc3ccc(Cl)cc3Cl)c2)cc1OC 2320511394 SLHRCVTWRYQLSM-INIZCTEOSA-N 498.362 6.448 50 10 JKGE CCCCc1ccc(-c2csc(C(C#N)=C(O)c3cc([N+](=O)[O-])c(C)c([N+](=O)[O-])c3)n2)cc1 2331259478 KKYJSJIAWXCQFT-UHFFFAOYSA-N 464.503 6.227 50 10 JKGE CCCOc1ccc(-c2csc(C(C#N)=C(O)C=Cc3ccccc3Cl)n2)cc1OCCC 2331293263 OOOOBODATXPLPC-UHFFFAOYSA-N 481.017 7.547 50 10 JKGE Cc1ccc(C)c(-c2csc(C(C#N)=C(O)C=Cc3ccc(OCc4ccccc4)cc3)n2)c1 2331319742 FBZPXHZNUBFWPT-UHFFFAOYSA-N 464.590 7.512 50 10 JKGE CCOc1ccc(C=CC(O)=C(C#N)c2nc(-c3cc(C)cc(C)c3OC)cs2)cc1OC 2331373305 XQVMFOBSBDTXGE-UHFFFAOYSA-N 462.571 6.349 50 10 JKGE CCCOc1ccc(-c2csc(C(C#N)=Cc3ccccc3OC(C)C)n2)cc1OCCC 2331437994 NSOXAFSMJXWJIO-UHFFFAOYSA-N 462.615 7.239 50 10 JKGE COc1cc(OC)c(OC)cc1C=C(C#N)c1nc(-c2cc(C)c(Cl)cc2OC)cs1 2331474802 LNFVJOJUGNZUAY-UHFFFAOYSA-N 456.951 5.871 50 10 JKGE Cc1ccc(C(C)(C)C)cc1-c1csc(C(C#N)=Cc2ccc(OC(=O)c3ccccc3)cc2)n1 2331478857 BOCAGUFAJWCHOY-UHFFFAOYSA-N 478.617 7.699 50 10 JKGE CCCOc1c(C=C(C#N)c2nc(-c3ccc(OC)c(OC)c3OC)cs2)cccc1OC 2331491375 AQSRWSNOTLQNIG-UHFFFAOYSA-N 466.559 5.697 50 10 JKGE Fc1c(Br)cc(Cl)c([C@H](Br)[C@H]2C[C@H]2C2CCC2)c1Br 2337085785 DCCSGCOZNIPWKC-YVZVNANGSA-N 475.421 6.876 50 10 JKGE COc1c(Br)cc(C)c([C@H](Br)CC2CC(C)C2)c1Br 2339674545 MFOGPJRYOPXVHP-BOBPJJCASA-N 455.028 6.401 50 10 JKGE CO[C@@H]1C[C@]2([C@H](Br)c3c(C)cc(Br)c(F)c3Br)C[C@H]12 2339681541 JIPQGZJPHZRZBM-MVNCPAOLSA-N 456.975 5.520 50 10 JKGE CC1(C)CN(Cc2ccc(I)c(Br)c2)C[C@@H]1CCCl 2349853222 FPIHLAOWEAYXMW-LBPRGKRZSA-N 456.593 5.141 50 10 JKGE Cc1cc(Cl)c([C@H](Br)c2cc(Br)ccc2Br)c(Cl)c1 2353083073 JJUVYCBVJWNDKI-CQSZACIVSA-N 487.844 7.311 50 10 JKGE FC(F)(F)[C@H]1OC2([C@@H](Cl)c3cc(Br)ccc3OCc3ccccc3)CC1C2 2361215674 VRCNKTKXWQBMON-BHJVWRQASA-N 461.705 6.418 50 10 JKGE Fc1c(Br)cc(Cl)c([C@H](Cl)CCOCC(F)(F)F)c1Br 2362224258 KRKVWKSICJURPL-ZCFIWIBFSA-N 462.890 6.253 50 10 JKGE COCc1csc([C@@H](Cl)c2c(Cl)cc(Br)c(F)c2Br)c1 2362230364 ZAQAMFKDFFDXKQ-GFCCVEGCSA-N 462.993 6.540 50 10 JKGE N#C/C(=C\c1ccccc1)C(=O)Oc1cc(-c2cccc(C(F)(F)F)c2)c2oc(=O)sc2c1 3185371 GBRZPYJNARLRQI-CXUHLZMHSA-N 467.424 6.053 50 10 JKGE COc1ccc(-c2csc(/C(C#N)=C\Nc3ccc(S(=O)(=O)Nc4nccs4)cc3)n2)cc1 6060144 KWTWUKRLBQESIJ-SSZFMOIBSA-N 495.611 5.053 50 10 JKGE CN(C)c1ccc(C=NNC(=O)c2ccc3c(c2)CN(c2cccc(C(F)(F)F)c2)C3)cc1 8385841 BQZIBRRITWQEKV-UHFFFAOYSA-N 452.480 5.056 50 10 JKGE CCc1ccc([C@@H]2C(C#N)=C(N)N(c3cccc(Cl)c3)C3=C2C(=O)C[C@H](c2ccccc2)C3)s1 9981586 WDINAACLTSBIRY-DWXRJYCRSA-N 486.040 6.662 50 10 JKGE CC(C)c1ccc(/C=N/NC(=O)CCCCCCC(=O)N/N=C/c2ccc(C(C)C)cc2)cc1 13967192 XJKANSKJRUEVFM-CZYCKNNWSA-N 462.638 5.874 50 10 JKGE Cc1ccc(N2C(=O)[C@H](Cc3ccccc3Cl)S/C2=C(\C#N)C(=O)NCc2ccccc2)cc1 16739761 GNMXMVJQJIXGAG-ABPPERTMSA-N 488.012 5.391 50 10 JKGE N#C/C(=C\c1ccc(-c2cccc(C(F)(F)F)c2)o1)C(=O)Nc1ccc([N+](=O)[O-])cc1Cl 35519081 NIHPXYJPXBUQME-UKTHLTGXSA-N 461.783 6.073 50 10 JKGE COc1cc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4cccc(C)c4)ccc32)ccc1OCC(C)C 38684103 BQYRDHMDBXXHGF-MHZLTWQESA-N 484.552 5.476 50 10 JKGE Cc1c(C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@@H]3c2cccc(F)c2)oc2ccc(Cl)cc12 38700494 KFRNMXQVGAGKHS-HSZRJFAPSA-N 474.875 5.971 50 10 JKGE COc1cccc(NC(=O)c2oc3c(c2C)/C(=N/NC(=O)c2ccc(Cl)cc2Cl)CCC3)c1 40813683 JSOKNDLHWWLJPN-TURZUDJPSA-N 486.355 5.626 50 10 JKGE Cc1c(C(=O)Nc2cc(C(F)(F)F)ccc2Cl)oc2c1/C(=N/NC(=O)c1ccncc1)CCC2 40813951 CJSZQRQHLQCIFU-OKCVXOCRSA-N 490.869 5.378 50 10 JKGE CCCCOc1ccc(/C=C(\C#N)C(=O)Nc2ccc(Cl)cc2C(=O)c2ccccc2)cc1 40864673 CYULQHFVBDSWBB-LTGZKZEYSA-N 458.945 6.296 50 10 JKGE C=CCc1cc(/C=N/NC(=O)c2cc3cc(Br)ccc3o2)cc(OC)c1OCC 59304361 FWMVRIWTLBQPIK-ZMOGYAJESA-N 457.324 5.095 50 10 JKGE CC(C)c1ccc(N2C(=O)[C@@H](Cc3ccccc3F)S/C2=C(/C#N)C(=O)NCc2ccco2)cc1 101242157 JYEVETOWXPHVNU-OGCOBRASSA-N 489.572 5.285 50 10 JKGE Brc1ccc(Br)c([C@H](Br)c2cccc3ccccc23)c1 109844655 WXGYBHYRTVITEO-QGZVFWFLSA-N 454.987 6.849 50 10 JKGE Clc1ccc([C@@H](Br)c2cc(Br)sc2Br)cc1Cl 109870246 FCYCQHDGWNATIZ-SNVBAGLBSA-N 479.846 7.064 50 10 JKGE COc1c(C)cc(Br)c(C)c1[C@@H](Cl)c1cccc(I)c1 125616179 KNIJBKOUGSWBMA-HNNXBMFYSA-N 465.556 6.007 50 10 JKGE COc1ccc([C@H](Br)c2cc(Br)c(Br)s2)cc1F 128213487 AKOLKVLEGNNAKZ-NSHDSACASA-N 458.972 5.905 50 10 JKGE Cc1ccc([C@H](Cl)c2cc(Br)c(Br)s2)c(Br)c1 163922013 BQPDACKCGCVSPU-NSHDSACASA-N 459.428 6.672 50 10 JKGE Cc1cc(Br)c([C@@H](Cl)c2cc(Br)sc2Br)s1 235814025 RINLIQMMLGRJNR-QMMMGPOBSA-N 465.457 6.734 50 10 JKGE CCOc1cc(C=NNC(=O)c2ccc(-c3csc(Nc4ccc(C)cc4)n3)cc2)ccc1OC 254397917 KQRPGLIZAHJFIH-UHFFFAOYSA-N 486.597 6.033 50 10 JKGE C[C@H](Cl)c1nc2cc(I)ccc2n1[C@@H]1CCCN(Cc2ccccc2)C1 311252135 LSLZJYWZEUKZGN-MAUKXSAKSA-N 479.793 5.778 50 10 JKGE COc1ccc(Br)cc1[C@@H](Br)c1cc(Br)c(Cl)s1 380658297 DDQHRGVQTNOVON-LLVKDONJSA-N 475.427 6.419 50 10 JKGE O=C(N[C@H](CBr)c1ccccc1)c1scc(Br)c1Br 705420951 UQVSJHXXNUONQM-SNVBAGLBSA-N 468.008 5.139 50 10 JKGE Fc1cccc(F)c1C[C@H](Br)c1scc(Br)c1Br 705492564 PRWLOLSQNLNVGO-ZETCQYMHSA-N 460.963 6.230 50 10 JKGE BrCc1cc(Br)cc(Br)c1OC[C@H]1CC[C@@H](C2CC2)O1 715471564 VGVJQNRRMHDFTC-OCCSQVGLSA-N 469.011 5.443 50 10 JKGE COCc1cc(Br)c([C@H](Br)c2cscc2C(F)(F)F)s1 717212694 QGTUHCWRTUHFTN-SNVBAGLBSA-N 450.139 6.222 50 10 JKGE CC1(C)[C@@H](OCc2ccccc2)C[C@@H]1n1c(CCCl)nc2cc(I)ccc21 718079050 NQNKEOYTKBMJLG-PMACEKPBSA-N 494.804 5.979 50 10 JKGE Fc1cc(Br)c(Cl)cc1[C@H](Cl)c1cccc(F)c1I 721690012 CBXRMEILBLQZOY-GFCCVEGCSA-N 477.901 6.314 50 10 JKGE Cc1sc(C)c([C@@H](Br)c2cc(Br)sc2Br)c1C 722495624 KPPHWJCKDHZQEN-NSHDSACASA-N 459.066 6.744 50 10 JKGE Cc1cc(C=NNC(=O)c2ccc(CSc3ccccc3)cc2)c(C)n1-c1ccc(F)cc1 725402144 SNBVOZYCMSAECI-UHFFFAOYSA-N 457.574 6.289 50 10 JKGE CC(=NNC(=O)CN(c1ccc(Cl)c(C(F)(F)F)c1)S(=O)(=O)c1ccccc1)C(C)(C)C 1084093813 ZOGWZXUIFDZLFO-UHFFFAOYSA-N 489.947 5.092 50 10 JKGE C=CCN(c1ccc(C(=O)NN=Cc2ccc(Cl)cc2Cl)cc1)S(=O)(=O)c1ccccc1 1084146512 RBTONUAQFASNAM-UHFFFAOYSA-N 488.396 5.139 50 10 JKGE CCOc1cc(/C=C(/C#N)C(=O)Nc2ccc(Cl)c(Cl)c2)ccc1OC(=O)c1ccccc1 1084234661 PIRBGLJUQBICGY-PDGQHHTCSA-N 481.335 6.157 50 10 JKGE Cc1ccc(-n2c(C)cc(C=NNC(=O)CSCc3cccc(Br)c3)c2C)cc1 1084389450 OLUISQQSOGRSKW-UHFFFAOYSA-N 470.436 5.549 50 10 JKGE O=C(COc1cccc(Cl)c1)NN=Cc1cc(Br)ccc1OCc1ccccc1 1772754346 YLLVGAQYJZGRBW-UHFFFAOYSA-N 473.754 5.211 50 10 JKGE COc1cc(C=NNC(=O)[C@@H](C)Oc2ccc(C(C)(C)C)cc2)ccc1OCc1ccc(C)cc1 1772756007 JLLBEDGTDQCSCZ-OAQYLSRUSA-N 474.601 5.798 50 10 JKGE CCCc1nn(-c2ccc(Cl)c(Cl)c2)c2c1[C@@H](c1ccc(OC)c(O)c1)C(C#N)=C(N)O2 1865682488 PVXRPIYAPMVZRG-FQEVSTJZSA-N 471.344 5.064 50 10 JKGE COc1ccc(-c2nn(-c3cccc4ccccc34)c3c2[C@@H](c2ccc(C)cc2)C(C#N)=C(N)O3)cc1 1865685320 GZEWOEHBLIUJLP-MHZLTWQESA-N 484.559 6.228 50 10 JKGE CCCOc1ccc([C@@H]2C(C#N)=C(N)Oc3c2c(CCC)nn3Cc2ccc(F)cc2)cc1OCC 1865688668 YCWJYSVNTDQYKG-RUZDIDTESA-N 490.579 5.429 50 10 JKGE N#CC1=C(N)Oc2c(c(-c3ccccc3)nn2Cc2ccc(Cl)cc2)[C@H]1c1ccccc1[N+](=O)[O-] 1865709409 BPPSEYPUASMJTH-QFIPXVFZSA-N 483.915 5.378 50 10 JKGE N#CC1=C(N)Oc2c(c(-c3ccccc3)nn2Cc2ccc(Cl)cc2)[C@@H]1c1ccc(O)c([N+](=O)[O-])c1 1865714698 NTNHWSKCVHQUKZ-JOCHJYFZSA-N 499.914 5.084 50 10 JKGE CCc1ccc(-c2ccc(C(=O)NNC(=O)c3cc(C(F)(F)F)cc(C(F)(F)F)c3)c(C)n2)cc1 1865758795 RNYACRGPXMVCHG-UHFFFAOYSA-N 495.423 5.732 50 10 JKGE COc1cc(/C=N\NC(=O)c2ccc(-c3ccc(Cl)c(Cl)c3)nc2C)cc(OC)c1OC 1865762638 TZUGCDVIRWZMQP-ZRGSRPPYSA-N 474.344 5.154 50 10 JKGE CCCC[C@H](NC(=O)CCc1csc(-c2ccccn2)n1)C(=O)Nc1ccc(SC#N)cc1 1867056092 KADOVPJKTBSOJK-FQEVSTJZSA-N 479.631 5.025 50 10 JKGE COc1ccc2c(c1)C[C@@H](C)CN2c1cc(Nc2ccc(SC#N)cc2)nc(-c2ccccc2)n1 1868364727 DYSOUZXXYANYOA-LJQANCHMSA-N 479.609 6.799 50 10 JKGE CC(=O)Nc1cccc(/C(O)=C(\C#N)c2nc(-c3ccc(Oc4ccccc4)cc3)cs2)c1 1872753564 CVLKVUYSLSXIQC-BZZOAKBMSA-N 453.523 6.511 50 10 JKGE CC[C@H](C)N1C(=O)c2ccc(/C(O)=C(\C#N)c3nc(-c4ccc(OC)cc4OC)cs3)cc2C1=O 1872755337 IRPJRFQSKZFMSR-KPRDTPMASA-N 489.553 5.172 50 10 JKGE C[C@@H]1OCC[C@H]1CCOc1c(Br)cc(CBr)cc1Br 1885698100 ZAIXZBZIEWZJDD-ONGXEEELSA-N 457.000 5.300 50 10 JKGE Clc1cc(I)c([C@H](Br)[C@H]2C[C@H](Br)C2)s1 1888208083 MJTPZSFKLPILRH-OKMMGKLZSA-N 470.395 5.616 50 10 JKGE CC(C)(C)OC(=O)N1CCN(C[C@](C)(CBr)C(C)(C)C)CCN1C(=O)OC(C)(C)C 1904856017 WIIYBVYYPFGKTO-QFIPXVFZSA-N 492.499 5.139 50 10 JKGE COc1c(Br)cc(Br)cc1C=C(CBr)C1CCCCC1 1912063104 VLSGFXDMSAVBFA-UHFFFAOYSA-N 467.039 6.579 50 10 JKGE CN(C[C@H](Cl)COCc1ccccc1)C(=O)c1cc(C(F)(F)F)ccc1Br 1916368698 HOJCQHVUGIZHLC-HNNXBMFYSA-N 464.709 5.364 50 10 JKGE Cc1c(Br)sc([C@@H](Br)[C@H]2CCc3ccccc3C2)c1Br 1922881547 IXYCVDINXGSCNN-JSGCOSHPSA-N 479.075 6.823 50 10 JKGE CCO[C@@H]1C[C@@H]1[C@H](Br)c1c(Br)sc(Br)c1Cl 1923050595 XICDJZGNWUPADX-BFHQHQDPSA-N 453.421 5.788 50 10 JKGE Cl[C@@H](c1c(Br)sc(Br)c1Br)[C@@H]1C[C@H]2CC[C@H]1C2 1924583407 JMQHOTGRXQDVRH-CLIVKXMMSA-N 463.460 6.752 50 10 JKGE C[C@@H]1O[C@H](C)C[C@@H]1[C@@H](Cl)c1c(Br)sc(Br)c1Br 1924611965 HUEBUZTYVCAISE-RXUAOQPESA-N 467.448 6.129 50 10 JKGE CCn1cc([C@@H](Br)c2c(Cl)sc(Br)c2Cl)nc1Br 1925624476 XWBIOQUFDRXYIB-ZCFIWIBFSA-N 497.865 6.281 50 10 JKGE CCc1sc(Br)cc1[C@H](Cl)c1cc(Br)c(Br)s1 1943036806 NGYXZMXORJTXOU-JTQLQIEISA-N 479.484 6.988 50 10 JKGE Clc1c(Br)sc(Br)c1[C@@H](Br)[C@H]1CCC2(CC2)C1 1950246113 MZMXAYDJCCZWOE-XPUUQOCRSA-N 463.460 6.943 50 10 JKGE O[C@H](c1c(Br)c(Br)cc(Br)c1Br)[C@H]1C[C@H]1Cl 1995047361 GNDWCFHDXKPEAA-XQKIPNJGSA-N 498.234 5.397 50 10 JKGE Cc1cc(F)c([C@@H](Br)c2csc(Br)c2Br)cc1Cl 2032958972 QAJNYCVFGBZINZ-SNVBAGLBSA-N 477.418 6.858 50 10 JKGE CCc1cc(C)sc1[C@H](Br)c1c(Br)cccc1Br 2033085616 YIIXGLDIXIJSHN-CYBMUJFWSA-N 453.037 6.628 50 10 JKGE COc1sc([C@H](Cl)c2cccc(F)c2I)cc1Br 2034643126 UDTONNIKRVWKKM-SNVBAGLBSA-N 461.521 5.591 50 10 JKGE Clc1cc(Oc2nc(Cl)c(CBr)s2)c(Cl)cc1Br 2037799965 JTBHJCUGVSPXAO-UHFFFAOYSA-N 452.382 6.553 50 10 JKGE COc1ccc(Br)cc1[C@@H](Br)c1scc(C)c1Br 2039336300 RAIBQVJOXOGVBR-GFCCVEGCSA-N 455.009 6.074 50 10 JKGE Cc1nc(C[C@@H](Br)c2cccc(Br)c2Br)sc1C 2085800405 NRTBSQMSAIONRM-LLVKDONJSA-N 454.025 5.964 50 10 JKGE Clc1ccc(I)c(COc2cc(Cl)ccc2CBr)c1 2090127537 WCCLDDDKTAYHKX-UHFFFAOYSA-N 471.947 6.072 50 10 JKGE Fc1cccc(Cl)c1C[C@@H](Br)c1cccc(Br)c1Br 2092336202 VHOXFDGERLXMCF-LLVKDONJSA-N 471.389 6.683 50 10 JKGE COc1ccc(C[C@@H](Br)c2sc(Br)cc2Br)cc1F 2112121063 MXKOHFKUIWMUKV-MRVPVSSYSA-N 472.999 6.100 50 10 JKGE CC(C)(C)N1C[C@@H](Br)[C@@H](Cc2cc(Br)ccc2Br)C1 2118529189 BYPTYMOOVVADOB-SMDDNHRTSA-N 454.044 5.248 50 10 JKGE Fc1ccccc1C(CBr)(CBr)Cc1cnsc1Br 2119233011 CYMUUWLCQUSHSK-UHFFFAOYSA-N 472.015 5.315 50 10 JKGE Cc1c([C@@H](Br)c2ccc(F)c(Br)c2F)c(Br)nn1C 2131599208 QGCLZCHCYSIZPX-VIFPVBQESA-N 458.926 5.016 50 10 JKGE Cc1cc(Br)c(C)c([C@H](Br)[C@H]2C[C@H]3CC[C@H]2O3)c1Br 2136384703 SPFBUWXGXWFFGJ-KVQFHVITSA-N 453.012 5.832 50 10 JKGE Cc1c(Br)ccc([C@@H](Br)[C@H]2OCCOC2(C)C)c1Br 2138853371 QCTXLPSBCRRSMJ-CHWSQXEVSA-N 457.000 5.150 50 10 JKGE O=C(N[C@H]1CCCC[C@@H]1CCBr)c1cc(Br)cc(Br)c1 2146720592 URFMNCNNYDAGDY-YGRLFVJLSA-N 468.027 5.285 50 10 JKGE FC(F)(F)C1CC([C@H](Br)c2cc(I)cc3c2OCC3)C1 2154552418 RQVBAPYSJHREAB-KWPJZBAWSA-N 461.059 5.251 50 10 JKGE C[C@@H]1CN(Cc2ccccc2)CC[C@H]1n1c(CCl)nc2cc(Br)c(Cl)cc21 2159871868 NOQZZJPHROBCSY-AUUYWEPGSA-N 467.238 6.274 50 10 JKGE BrC[C@]12CCCC[C@H]1N(c1ncc(Br)cc1Br)CCC2 2165239440 CUGKELBGPXWQGO-UKRRQHHQSA-N 467.043 5.531 50 10 JKGE COc1ccc(C[C@H](Br)c2cccc(Br)c2Br)cc1F 2168409334 HWZUCNFHXWIFDI-LBPRGKRZSA-N 466.970 6.038 50 10 JKGE Cc1cc(Br)c([C@@H](Br)C2(C)CCCCCCC2)cc1Br 2172660433 TXJUWRGIBKGXCQ-MRXNPFEDSA-N 467.083 7.707 50 10 JKGE CN(c1c(CCl)ccc(Br)c1Cl)[C@@H]1C[C@@H]2C[C@@H](OCc3ccccc3)C[C@@H]21 2190538634 ZJZMIEPQGCEDSM-HLNWXESRSA-N 469.250 6.661 50 10 JKGE O=C(c1cc(Br)sc1Br)N1C[C@H]2CCC[C@@](CBr)(C2)C1 2199681679 WDEPRSCZEZZGHD-XPTSAGLGSA-N 486.067 5.300 50 10 JKGE C[C@@H](CCBr)N(Cc1ccccc1)C[C@H]1CC1(Br)Br 2208983830 LHQTVXSKICGZAG-GXTWGEPZSA-N 454.044 5.168 50 10 JKGE CCCCCCCCCCO[C@](C)(CI)CNC(=O)OC(C)(C)C 2216919117 GWXBPBJARWUXND-LJQANCHMSA-N 455.421 5.862 50 10 JKGE CC[C@H](Br)CN(Cc1ccccc1)c1ncc(C(F)(F)F)cc1Br 2217408428 FYXSAFYWCXYYLV-AWEZNQCLSA-N 466.139 6.043 50 10 JKGE ClCc1nc2ccc(Br)cc2n1C[C@H]1CC1(Br)Br 2217993322 XSSZCASTBKNCSR-SSDOTTSWSA-N 457.391 5.044 50 10 JKGE Cc1ccc(Cl)c([C@@H](Br)c2cc(Br)c(Br)cc2F)c1 2225616547 PMVYHMVKYLNKLG-CQSZACIVSA-N 471.389 6.797 50 10 JKGE COc1cc(F)ccc1[C@@H](Br)c1c(Br)sc(Br)c1Cl 2225635550 WAIMMSTZCCPICW-SECBINFHSA-N 493.417 6.559 50 10 JKGE Cc1c(Br)csc1[C@@H](Cl)c1scc(C(F)(F)F)c1Br 2226122794 OINJVTJLBUIPSR-MRVPVSSYSA-N 454.558 6.990 50 10 JKGE CC[C@H](CC(C)C)[C@H](Br)c1c(Br)cc(C)c(Br)c1C 2227356818 SQTILSHOFHIGOG-WBMJQRKESA-N 455.072 7.337 50 10 JKGE Cc1cc(Br)c([C@@H](Br)C23CC(CCO2)C3)c(C)c1Br 2227360659 VDOROVLKGLLODA-CIQACWJJSA-N 453.012 5.834 50 10 JKGE Cc1cc(Br)c([C@H](Br)[C@H]2C(F)(F)C23CC3)c(C)c1Br 2227372477 WQDLTTHVGVXYIF-NWDGAFQWSA-N 458.966 6.310 50 10 JKGE C[C@H](c1ccccc1)[C@@H](Br)c1c(Br)cc(Cl)c(Cl)c1Cl 2232513668 RQBOIRWDHXUQCW-AMIZOPFISA-N 457.420 7.649 50 10 JKGE C[C@H]1C[C@H](n2c(CCCl)nc3c(F)cc(Br)cc32)CN1Cc1ccccc1 2232920609 CUFOXXXWPFZKHY-YOEHRIQHSA-N 450.783 5.555 50 10 JKGE Cc1cc(Br)c([C@H](Br)[C@@H]2Cc3ccccc32)c(C)c1Br 2235597925 FPDMHPZOOGCCEP-CXAGYDPISA-N 459.019 6.604 50 10 JKGE Cc1cc(Br)c([C@H](Br)C2[C@H]3[C@H]4CC[C@@H](C4)[C@H]23)c(C)c1Br 2235602072 CESKDGQKXPFGFO-KPJOVKQNSA-N 463.051 6.557 50 10 JKGE Cc1sc([C@@H](Cl)c2ccc(Cl)c(I)c2)cc1Br 2248216221 ZXFRNFZHMOXSQP-LBPRGKRZSA-N 461.977 6.405 50 10 JKGE CCc1cc([C@H](Cl)c2ccc(Br)cc2Br)sc1Br 2255987994 GOOBEZHGIAQKRR-GFCCVEGCSA-N 473.455 6.926 50 10 JKGE CCc1cc([C@H](Br)c2ccc(C)c(Br)c2)sc1Br 2255989677 WFULOGWUXQZEIR-CYBMUJFWSA-N 453.037 6.628 50 10 JKGE COc1c(Br)cc(Cl)cc1[C@H](Br)c1sncc1Br 2263446074 ITEPPJAHUZQKLC-VIFPVBQESA-N 476.415 5.814 50 10 JKGE C[C@@H](c1ccncc1Br)[C@H](Cl)c1ccc(Cl)c(I)c1 2268270591 RMBVXIMIFUENHW-RTHLEPHNSA-N 470.963 6.186 50 10 JKGE Fc1ccccc1[C@H](Br)c1c(F)cc(Br)c(F)c1Br 2272728082 WLYSWQNUEOJHKC-NSHDSACASA-N 458.897 6.113 50 10 JKGE Clc1ccc([C@@H](Br)c2ccc3c(c2)OCCO3)cc1I 2283580125 CZAYKTLNQBFEGS-OAHLLOKOSA-N 465.512 5.200 50 10 JKGE FC(F)C1(CBr)CCN(Cc2ccc(Br)cc2Br)CC1 2289897212 POFNNHSRENYQGE-UHFFFAOYSA-N 475.997 5.454 50 10 JKGE Cc1cc(C=C(C#N)C(=O)Nc2ccc3ccccc3c2)c(C)n1-c1ccc(Br)cc1 2294168345 GCMDOYFBCWFOHF-UHFFFAOYSA-N 470.370 6.556 50 10 JKGE COc1cccc(C=C(C#N)c2nc3ccccc3s2)c1OCc1ccc(Cl)cc1Cl 2295187808 TXRWPSAQOZFZRH-UHFFFAOYSA-N 467.377 7.255 50 10 JKGE Cc1cc(Oc2nc3ccccn3c(=O)c2C=C(C#N)c2nc3ccccc3[nH]2)ccc1Cl 2296723158 KTECYUHMYYZZEN-UHFFFAOYSA-N 453.889 5.389 50 10 JKGE N#CC(=Cc1ccc(-c2ccc(Cl)c(Cl)c2)o1)C(=O)Nc1ncc(Cc2ccc(F)cc2)s1 2296819000 JTSUKGQNDPVQNT-UHFFFAOYSA-N 498.366 6.985 50 10 JKGE Brc1cc(OCc2ccccc2)ccc1[C@@H](Br)[C@H]1C[C@@H]2C[C@@H]2CO1 2299493361 GBKYKWAYQHOUHH-KQEPKPNTSA-N 452.186 5.889 50 10 JKGE CC1CC(CBr)(COc2cc(Br)cc(I)c2)C1 2301040557 ZCUGMCHNDAESOT-UHFFFAOYSA-N 473.974 5.244 50 10 JKGE Cc1c(Br)sc([C@@H](Br)[C@@]23CCCC[C@@H]2CC3)c1Br 2313307985 UTLPWMMBVPTMAA-GAJTVXKRSA-N 457.069 6.988 50 10 JKGE Brc1cc(OCc2ccccc2)ccc1[C@@H](Br)[C@H]1C[C@@H]2CCC[C@@H]2C1 2314446562 URKSQVPQQCACIU-SUWCGCSTSA-N 464.241 7.290 50 10 JKGE O=S1(=O)CCCC[C@@H]1[C@H](Br)c1ccc(OCc2ccccc2)cc1Br 2314448736 KBXIQCPTRMVURY-RTBURBONSA-N 488.241 5.431 50 10 JKGE Brc1ccc(OCc2ccccc2)c([C@H](Br)[C@@H]2C[C@H]3O[C@H]2[C@@H]2C[C@H]32)c1 2314454603 HMUGMSWDPLPRHC-RGEJHNIBSA-N 464.197 5.888 50 10 JKGE Cc1ccc([C@@H](Cl)c2ccc(OCc3ccccc3)cc2Br)cc1Br 2314498790 XRIUQXJAZHXYKL-OAQYLSRUSA-N 480.627 7.427 50 10 JKGE CCCCOc1cccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)C=Cc4ccc(C)cc4)ccc32)c1 2314634736 DNVIEJQQWHFTOU-LJAQVGFWSA-N 480.564 6.011 50 10 JKGE COc1cc(C=C(C#N)c2ccccc2)ccc1OC(=O)COc1ccc(C(C)(C)CC(C)(C)C)cc1 2314720047 BSVIWVMWWCHQOA-UHFFFAOYSA-N 497.635 7.458 50 10 JKGE CCCCOc1ccc(C=C(C#N)C(=O)Nc2nc(-c3cccc(Br)c3)cs2)cc1 2314754023 IQNWSZNUJSWKHJ-UHFFFAOYSA-N 482.403 6.297 50 10 JKGE ClCc1c(Br)cccc1Oc1cc(Br)cc(Br)c1 2316836556 VPJONQPZVWDOPE-UHFFFAOYSA-N 455.371 6.505 50 10 JKGE CC[C@@H](NC(=O)C(C#N)=CNc1ccc(Br)cc1C)c1ccc2c(c1)CCCC2 2325092872 DMPJKEMEFJVBDY-JOCHJYFZSA-N 452.396 5.723 50 10 JKGE C[C@H]1CCC[C@@](CBr)(Cc2ccc(I)c(Br)c2)O1 2325219685 AFOGBMNKSMPRAY-HZMBPMFUSA-N 488.001 5.319 50 10 JKGE O=C(c1cc(Br)c(Br)s1)N1[C@H]2CCC[C@H]2C[C@@H]1CBr 2329612915 RAZDPQKXXVSTOK-XKSSXDPKSA-N 472.040 5.051 50 10 JKGE N#CC(=C(O)c1ccc2c(c1)C(=O)N(C1CCCCC1)C2=O)c1nc(-c2ccc(Cl)cc2)cs1 2331295902 RTOHDKMFLWVLEK-UHFFFAOYSA-N 489.984 6.342 50 10 JKGE CC(C)Oc1ccc(C=C(C(O)=C(C#N)c2nc(-c3cccs3)cs2)c2ccccc2)cc1 2331326780 QGKZASNMQZAXLR-UHFFFAOYSA-N 470.619 7.692 50 10 JKGE COc1ccc(C=C(C(O)=C(C#N)c2nc(-c3ccc(OC)c(F)c3)cs2)c2ccccc2)cc1 2331337034 SKFCZQZPCMSAOA-UHFFFAOYSA-N 484.552 7.000 50 10 JKGE COc1ccc(C(C)(C)C)cc1-c1csc(C(C#N)=C(O)[C@H](C)Oc2ccccc2C(C)C)n1 2331350869 ZSCNPWNCHAMQNI-SFHVURJKSA-N 476.642 7.500 50 10 JKGE COc1cc(OC)c(-c2csc(C(C#N)=C(O)Cc3ccc(OC)c(OC)c3)n2)cc1Cl 2331377486 DBUHZYROIDIRKX-UHFFFAOYSA-N 472.950 5.533 50 10 JKGE Brc1ccc(OCc2ccccc2)c([C@H](Br)C[C@H]2CCCCC23CC3)c1 2336044836 QXULISWKYSNLHA-WIYYLYMNSA-N 478.268 7.825 50 10 JKGE Fc1c(Br)cc(Cl)c([C@H](Br)[C@]23CCOC[C@H]2C3)c1Br 2337086500 MXVONMUCTLTGEW-GBRJYTSESA-N 477.393 5.867 50 10 JKGE Cn1nc(Br)c(Br)c1[C@H](Cl)c1cc(F)c(Br)cc1F 2338722892 RKQYQORVLKCLRQ-SECBINFHSA-N 479.344 5.314 50 10 JKGE COc1c(Br)cc(C)c([C@@H](Br)[C@@H]2C[C@H]2C(C)C)c1Br 2339639808 QUPOYXKSZCKIQJ-CWSCBRNRSA-N 455.028 6.257 50 10 JKGE Fc1cc(Cl)c(Br)c(Cl)c1[C@H](Br)C1CC(C(F)(F)F)C1 2360418069 NWJDOZYWNYALEW-PACJAATDSA-N 458.902 6.920 50 10 JKGE C[C@]1(C2CC2)CN(c2cc(Cl)c(F)cc2CBr)CCN1Cc1ccccc1 2362398306 RPIJEZCGJDEMKX-JOCHJYFZSA-N 451.811 5.865 50 10 JKGE Cc1cc(Br)c([C@H](Br)c2c(Br)nc(C)n2C)c(C)c1F 2362486952 SJKOVOFSEISGDQ-NSHDSACASA-N 468.990 5.494 50 10 JKGE Fc1cc(Br)c(Br)cc1[C@@H](Br)[C@H]1COC2(CCC2)CO1 2364134571 KIKAYEUGLCBYKE-CHWSQXEVSA-N 472.974 5.125 50 10 JKGE Clc1ccc([C@H](Br)c2ccc([C@H]3CCOC3)s2)c(I)c1 2365594849 CLVRXONWDCAVOX-VFZGTOFNSA-N 483.596 5.994 50 10 JKGE C[C@@H]1CCC[C@@]12[C@@H](OCc1c(Br)cccc1Br)C[C@H]2Br 2366183930 BVQWRBWPOYALMR-HGGPSHQYSA-N 467.039 6.070 50 10 JKGE Cc1cc(C)c(CCl)c(OCc2cc(I)ccc2Br)n1 2367279883 VNURBJJCEXQQCC-UHFFFAOYSA-N 466.544 5.383 50 10 JKGE ClCc1c(OCc2ccc(I)c(Br)c2)nc2sccn12 2377641919 LKJVBJWUAHPQHW-UHFFFAOYSA-N 483.556 5.081 50 10 JKGE Cc1cc(Br)c(C(C)C)cc1[C@H](Br)c1cc(Br)n(C)n1 2380950839 AIEMVLQUUOHUBV-HNNXBMFYSA-N 465.027 5.861 50 10 JKGE CCN(C[C@@](C)(CI)OCc1cc(C(C)(F)F)ccn1)C(=O)OC(C)(C)C 2381515698 RPWCUOVXEHPPDL-GOSISDBHSA-N 498.352 5.161 50 10 JKGE O=C(NC1CCCCCC1)[C@H](c1ccc(Cl)cc1)N(Cc1ccccc1Cl)C(=O)CCl 3038808 LIDVWEYURQLIMG-QHCPKHFHSA-N 481.851 6.141 50 10 JKGE O=C(N/N=C(/C=C/c1ccccc1[N+](=O)[O-])c1ccccc1)c1ccccc1I 20508509 OXDZREZUYTXJRX-SFDYQSBBSA-N 497.292 5.047 50 10 JKGE CCOC(=O)c1c(-c2ccccc2)csc1NC(=O)/C(C#N)=C\c1ccc(-c2ccccc2)o1 33586733 VQIVJWQQOBBSJD-HKWRFOASSA-N 468.534 6.397 50 10 JKGE N#C/C(=C/c1ccc(OCc2ccccc2F)cc1)C(=O)Nc1ccccc1I 33706914 MJXKJMXTQJPNPK-AQTBWJFISA-N 498.295 5.555 50 10 JKGE CCCOc1ccc(C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@@H]3c2ccccc2OCC)cc1 38650503 VVWZDQCGTMMMDY-AREMUKBSSA-N 470.525 5.311 50 10 JKGE CCCOc1ccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)[C@@H](C)Oc4ccc(CC)cc4)ccc32)cc1 38650713 LYOFSGMTCDUCGN-WHLCRQNOSA-N 498.579 5.629 50 10 JKGE Cc1cccc(C)c1OCC(=O)Oc1ccc2c(c1)OC(N)=C(C#N)[C@H]2c1cccc(Cl)c1 38651194 ZIPAGZIYVMXLMS-DEOSSOPVSA-N 460.917 5.159 50 10 JKGE Cc1ccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4oc5c(C)c(C)ccc5c4C)ccc32)cc1 38687019 HAGDSKTWTDUKGY-VWLOTQADSA-N 464.521 6.104 50 10 JKGE CC1=C(C#N)C(=O)N(Cc2ccccc2)C(=O)/C1=C/c1cn(-c2ccccc2)nc1-c1ccc(C)cc1 40514495 PSQUYOJOPDGFDY-WPWMEQJKSA-N 484.559 5.640 50 10 JKGE CCCCOc1ccccc1[C@H]1C(C#N)=C(N)Oc2cc(OC(=O)c3ccc(OCC)cc3)ccc21 40529715 RTLOEJXOUIZJQT-HHHXNRCGSA-N 484.552 5.702 50 10 JKGE Cc1ccc(NC(=O)c2oc3c(c2C)/C(=N/NC(=O)c2ccccc2Cl)CCC3)cc1Cl 40812634 PDIAJWBPLNFKIP-TURZUDJPSA-N 470.356 5.926 50 10 JKGE CCCCCOc1ccc(/C=N/NC(=O)CSc2nc(-c3ccc(Cl)cc3)cs2)cc1 40924904 XDALCDGXSSGDIB-AFUMVMLFSA-N 474.051 6.275 50 10 JKGE CC(C)(C)c1ccc(C(=O)N/N=C/c2ccc(OC(=O)c3sc4ccccc4c3Cl)cc2)cc1 48573341 DVDXDSFSTUDBGM-MUFRIFMGSA-N 491.012 6.835 50 10 JKGE O=C(CCCSc1nnc(CCc2ccccc2)n1-c1ccccc1)NN=C1CCCCC1 58992237 QHYXVNDVAHGDJC-UHFFFAOYSA-N 461.635 5.361 50 10 JKGE CCOc1cc(/C=C(/C#N)C(=O)Nc2cc([N+](=O)[O-])ccc2Cl)ccc1OCc1ccc(C)cc1 59272180 SKWJPSHZOHAXOH-NDENLUEZSA-N 491.931 6.080 50 10 JKGE C=CCOc1c(Cl)cc(/C=N/NC(=O)C(O)(c2ccccc2)c2ccccc2)cc1Br 59565562 OPKSFHMTADUBAA-JVWAILMASA-N 499.792 5.054 50 10 JKGE N#C/C(=C/c1cc(Cl)ccc1OCc1ccccc1Cl)C(=O)NCc1ccc2c(c1)OCO2 96438625 RTENOMDUTCBLFD-GRSHGNNSSA-N 481.335 5.524 50 10 JKGE COC(=O)c1ccsc1NC(=O)/C(C#N)=C\c1cccn1Cc1ccc(Cl)cc1Cl 96504426 IWTJJLYAFASHGQ-ZROIWOOFSA-N 460.342 5.237 50 10 JKGE N#C/C(=C\Nc1cccc(Cl)c1Cl)c1nc(-c2ccc(Br)cc2)cs1 100404462 MBLPOGDUEARJPO-FMIVXFBMSA-N 451.176 6.856 50 10 JKGE O=C(N/N=C1/C(=O)N(CCc2ccccc2)c2ccccc21)[C@@H]1CC1(c1ccccc1)c1ccccc1 100433936 NZPZGRQDDUCLCR-YVZASYTHSA-N 485.587 5.102 50 10 JKGE COc1c(Br)cc(Cl)cc1[C@@H](Br)c1cc(Br)ccc1C 115746750 GXSMKCWRYBRPJT-AWEZNQCLSA-N 483.425 6.666 50 10 JKGE Cc1cc(Br)c([C@@H](Br)c2ccc(Br)c(C(F)(F)F)c2)s1 124619445 TXKIXCOGTIYUGK-NSHDSACASA-N 492.980 7.085 50 10 JKGE Cc1cc(Br)c(S(=O)(=O)Nc2cccc(CCl)c2)cc1Br 155820475 LOZXJZPOIAGZGN-UHFFFAOYSA-N 453.583 5.060 50 10 JKGE CC(C)Cc1ccc([C@H](Br)c2cc(Br)ccc2Br)cc1 161076634 HCTSHYJESLWJDB-KRWDZBQOSA-N 461.035 6.894 50 10 JKGE Br[C@H](CCCOCCC[C@@H](Br)Cc1ccccc1)Cc1ccccc1 168251138 TYECBZOJCUHCAY-FGZHOGPDSA-N 468.273 6.576 50 10 JKGE CCOc1cc(/C=C(/C#N)C(=O)NCc2ccco2)ccc1OC(=O)c1ccc(-c2ccccc2)cc1 206675253 BFXSPTLSSYDMGX-UQQQWYQISA-N 492.531 5.788 50 10 JKGE COC(=O)c1ccccc1NC(=O)/C(C#N)=C\Nc1ccc(-c2nc3ccc(C)cc3s2)cc1 217226115 FZHPVVDQYQKANP-SDXDJHTJSA-N 468.538 5.516 50 10 JKGE Cc1ccc(N[C@H](C)C(=O)NN=Cc2ccccc2OCc2ccc(Br)cc2)cc1 251254225 CKAQJKIPBYANPW-GOSISDBHSA-N 466.379 5.287 50 10 JKGE COc1ccc(Br)cc1C=NNC(=O)c1cc(-c2ccco2)nc2ccccc12 252602787 FLPFCFQFIBMINB-UHFFFAOYSA-N 450.292 5.030 50 10 JKGE CC[C@@H](Oc1cccc(Br)c1)C(=O)NN=Cc1c2ccccc2cc2ccccc12 254348505 FTDAVKSUAQDTFW-XMMPIXPASA-N 461.359 6.063 50 10 JKGE COc1ccc(C=NNC(=O)c2cc(-c3ccc(OCc4cccc5ccccc45)cc3)[nH]n2)cc1 254387296 RUHFDSOCBFXDOZ-UHFFFAOYSA-N 476.536 5.581 50 10 JKGE CC(=NNC(=O)c1ccc(CN2C(=O)c3cccc4cccc2c34)cc1)c1cc2ccccc2o1 254760492 ZHBSNWCKNNDAES-UHFFFAOYSA-N 459.505 5.900 50 10 JKGE COc1ccc(-c2cc(C(=O)NN=Cc3c(O)ccc4ccccc34)n(-c3ccccc3)n2)cc1 254815064 AWSQXGOFOKJZFY-UHFFFAOYSA-N 462.509 5.171 50 10 JKGE CCN(C[C@@](C)(CBr)OCc1cccc(Br)c1)C(=O)OC(C)(C)C 303740727 DVCGPKWXPZPXTB-GOSISDBHSA-N 465.226 5.376 50 10 JKGE Fc1ccc(COc2c(Br)cc(Br)cc2CBr)c(Cl)c1 312831020 URXAYAHAEYAPAA-UHFFFAOYSA-N 487.388 6.478 50 10 JKGE Cc1ccc([C@@H]2CN(Cc3ccccc3)C[C@@H]2CBr)cc1I 382680223 ALQPVMBKWSLVMI-ROUUACIJSA-N 470.192 5.210 50 10 JKGE C[C@H](Cl)c1nc2cc(I)ccc2n1[C@@H]1CN(Cc2ccccc2)C[C@@H]1C 389783409 JRCLMNMSHLPGRZ-AUSJPIAWSA-N 479.793 5.634 50 10 JKGE CC(C)(C)[Si](C)(C)OCCN1CCC(c2cccc(CO[Si](C)(C)C(C)(C)C)c2)CC1 616619080 BGLJWMXADIKDEZ-UHFFFAOYSA-N 463.855 7.410 50 10 JKGE CCn1cc([C@H](Br)c2cc(C)c(Br)cc2C)nc1Br 698374807 ZCXYMOYMMYWWLL-CYBMUJFWSA-N 451.000 5.529 50 10 JKGE Brc1cc([C@H](Br)c2ccc(C3CC3)s2)sc1Br 707974804 BFBAGWOAWJESRP-LLVKDONJSA-N 457.050 6.696 50 10 JKGE Cc1cc(C=NNC(=O)c2ccccc2-n2cccc2)c(C)n1-c1ccc(C(=O)O)c(Cl)c1 1084134892 VFPZDCJNFTYIKG-UHFFFAOYSA-N 460.921 5.000 50 10 JKGE CCOc1cc(C=NNC(=O)c2ccc(-n3c(C)ccc3-c3ccccc3)cc2)ccc1OCC#N 1084339398 PZQWTPQILHCJBS-UHFFFAOYSA-N 478.552 5.518 50 10 JKGE CC(=NNC(=O)COc1ccc2cc(Br)ccc2c1Br)c1cccs1 1084358530 FMHXMJHIGQUBEA-UHFFFAOYSA-N 482.197 5.346 50 10 JKGE COc1ccc(-c2nn(Cc3ccc(C)cc3)c3c2[C@H](c2ccc(Cl)cc2)C(C#N)=C(N)O3)cc1 1865684417 YBUDLOOGFUJRHN-XMMPIXPASA-N 482.971 5.787 50 10 JKGE Cc1ccc(Cn2nc(C(F)(F)F)c3c2OC(N)=C(C#N)[C@@H]3c2c(Cl)cccc2Cl)cc1 1865686749 ZOOWOBABTBBNNN-MRXNPFEDSA-N 479.289 5.784 50 10 JKGE CCCCOc1ccc([C@H]2C(C#N)=C(N)Oc3c2c(-c2ccccc2)nn3CC(C)C)cc1OCC 1865687079 JBCRJPFZINQGHI-VWLOTQADSA-N 486.616 6.002 50 10 JKGE COc1ccc2ccccc2c1[C@H]1C(C#N)=C(N)Oc2c1c(C)nn2Cc1ccccc1Cl 1865688034 HBAZHHGDHHNPMF-DEOSSOPVSA-N 456.933 5.273 50 10 JKGE CCCc1nn(-c2ccc(Br)cc2)c2c1[C@@H](c1cccc(OCC)c1)C(C#N)=C(N)O2 1865690126 JHASLUURBXAYAT-NRFANRHFSA-N 479.378 5.204 50 10 JKGE CCCCCOc1ccc([C@@H]2C(C#N)=C(N)Oc3c2c(C)nn3Cc2ccc(Cl)c(Cl)c2)cc1 1865690691 YTXXHJIBUJGKQO-XMMPIXPASA-N 497.426 6.334 50 10 JKGE COc1ccc(-c2nn(C)c3c2[C@H](c2ccc(OCc4ccc(C)cc4)cc2)C(C#N)=C(N)O3)cc1 1865692087 ALYOTWXQLZGHGS-RUZDIDTESA-N 478.552 5.201 50 10 JKGE CCCCCOc1ccc([C@@H]2C(C#N)=C(N)Oc3c2c(-c2ccc(OC)cc2)nn3CCC)cc1 1865692649 HHOQFTLOIGRTFN-XMMPIXPASA-N 472.589 5.756 50 10 JKGE CCOc1ccc([C@H]2C(C#N)=C(N)Oc3c2c(C(F)(F)F)nn3Cc2ccccc2Cl)cc1 1865692845 FZOZLVWRVFIIHF-SFHVURJKSA-N 474.870 5.220 50 10 JKGE CCCc1nn(Cc2cccc(Cl)c2)c2c1[C@@H](c1ccc(OCC)c(OC)c1)C(C#N)=C(N)O2 1865695049 IKXFTLXDXALWDZ-QHCPKHFHSA-N 478.980 5.163 50 10 JKGE CCCCOc1ccc([C@@H]2C(C#N)=C(N)Oc3c2c(C(F)(F)F)nn3Cc2ccccc2)cc1OC 1865697539 VYXNRWMUBMMPSX-OAQYLSRUSA-N 498.505 5.356 50 10 JKGE Cc1ccc(C)c(Cn2nc(-c3ccccc3)c3c2OC(N)=C(C#N)[C@@H]3c2ccc(C(=O)O)cc2)c1 1865708495 AHNVDZVRYZYWEQ-DEOSSOPVSA-N 476.536 5.132 50 10 JKGE Cc1nn(Cc2ccc(Cl)cc2)c2c1[C@H](c1cccc(OCc3ccccc3)c1)C(C#N)=C(N)O2 1865712162 RDHGAEXERWDCMR-AREMUKBSSA-N 482.971 5.690 50 10 JKGE Cc1nc(-c2ccc(Cl)c(Cl)c2)ccc1C(=O)NNC(=O)c1ccc(Cl)c([N+](=O)[O-])c1 1865759152 KZOXRNGOBAWTQM-UHFFFAOYSA-N 479.707 5.000 50 10 JKGE CC[C@@](C)(NC(=O)Cc1nc(-c2ccc(Cl)cc2)oc1C)C(=O)Nc1ccc(SC#N)cc1 1866669213 QSPMBXCFYBXHQS-XMMPIXPASA-N 482.993 5.343 50 10 JKGE CC[C@@](C)(NC(=O)C[C@H](c1ccccc1)c1cccc(F)c1)C(=O)Nc1ccc(SC#N)cc1 1866783221 PWRPWRLUDWGCAW-SHQCIBLASA-N 475.589 5.844 50 10 JKGE CCC[C@@H](NC(=O)[C@H](c1ccc(C(C)C)cc1)C(C)C)C(=O)Nc1ccc(SC#N)cc1 1866964663 YORHEJYIDILZMG-RPWUZVMVSA-N 451.636 6.046 50 10 JKGE CCc1cccc(CC)c1N1C[C@@H](/C(O)=C(\C#N)c2nc(-c3ccc(OC)c(C)c3)cs2)CC1=O 1872746419 HACKMUCLWJGSOH-DLZCECKCSA-N 487.625 6.098 50 10 JKGE COc1cc(-c2csc(/C(C#N)=C(\O)c3c(OC)cccc3OC)n2)c(OC)cc1Cl 1872754618 BBTCTNIGXOBQDF-BKUYFWCQSA-N 458.923 5.448 50 10 JKGE COc1cc(-c2csc(/C(C#N)=C(\O)c3ccc(OCC(C)C)cc3)n2)c(OC)cc1Cl 1872756027 ARVVIYMHSXYKLM-NKFKGCMQSA-N 470.978 6.465 50 10 JKGE N#C/C(=C(O)\C(=C/c1ccccc1)c1ccccc1)c1nc(-c2cc(Cl)ccc2Cl)cs1 1872757912 BWGCHJQFUBSDBC-ORVWWNJKSA-N 475.400 8.150 50 10 JKGE CCOc1c(Br)cc(/C=C(\C#N)c2nc(-c3ccc(OC)c(C)c3)cs2)cc1OC 1872780761 KFJXPOTXNWKIDC-RQZCQDPDSA-N 485.403 6.361 50 10 JKGE C[C@@H](CCl)N(Cc1ccccc1)c1ncc(I)cc1Br 1882958944 SGPKEGQFNJQDFI-NSHDSACASA-N 465.560 5.083 50 10 JKGE C[C@@H]1C[C@@H]1[C@H](Cl)c1c(Br)c(Br)cc(Br)c1Br 1898079309 ZUIMWYNZRULHSE-WOKAVZEJSA-N 496.262 6.673 50 10 JKGE COc1cc(C)c([C@H](Cl)c2csc(Br)c2Br)cc1Br 1901673823 INYPNNPYMJBVFL-LBPRGKRZSA-N 489.454 6.681 50 10 JKGE C[C@H](CBr)N(Cc1ccccc1)C(=O)c1cccc(Br)c1Br 1914231394 BJRBIIVZYPYKBM-GFCCVEGCSA-N 490.033 5.637 50 10 JKGE O=C(c1ccc(C(F)(F)F)c(Cl)c1)N(Cc1ccccc1)C1(CBr)CCC1 1915757030 SEMALGGFIRQCGM-UHFFFAOYSA-N 460.721 6.319 50 10 JKGE Cc1c(Br)sc([C@H](Br)C2C[C@@H](C)O[C@H](C)C2)c1Br 1922921379 QBMICSNANKNCCN-OPVBNTEQSA-N 461.057 6.221 50 10 JKGE Cc1c(Br)sc([C@@H](Cl)c2ccc(Cl)c(Br)c2)c1Br 1922946037 MXEVHCWQOPJQMF-JTQLQIEISA-N 493.873 7.326 50 10 JKGE C[C@@H](c1ccncc1Br)[C@H](Br)c1ccc(Br)c(F)c1 1924037763 BUDUBPMLVANNEX-RTHLEPHNSA-N 451.959 5.985 50 10 JKGE Brc1sc(Br)c([C@H](Br)C2[C@@H]3COC[C@@H]23)c1Br 1924604868 JJVRNNLKAHMOLX-XAQAVTJOSA-N 495.856 5.364 50 10 JKGE CC1(C)C[C@@]1(C)[C@H](Br)c1c(Br)sc(Br)c1Br 1924611870 GVMYLHFIBQNONH-HQJQHLMTSA-N 495.900 6.908 50 10 JKGE Cl[C@H](c1c(Br)sc(Br)c1Br)[C@@H]1C[C@@H]2O[C@H]1[C@H]1C[C@@H]21 1924612739 DHEZAVMOAVTJSO-FNXCXVJASA-N 477.443 5.739 50 10 JKGE Fc1ccc([C@@H](Br)c2c(Cl)sc(Br)c2Cl)cc1Cl 1925586641 BNVXKOQVHFPIPQ-MRVPVSSYSA-N 453.385 7.094 50 10 JKGE Cc1csc([C@@H](Cl)c2c(Cl)sc(Br)c2Cl)c1Br 1950882645 VRKVYRWIZSTRLC-LURJTMIESA-N 455.451 7.278 50 10 JKGE C[C@H](CCBr)N(Cc1ccccc1)Cc1cc(Br)ccc1Br 1962461160 WMHYZUSERGGOGM-CQSZACIVSA-N 490.077 6.387 50 10 JKGE Clc1cccc(Cl)c1C[C@H](Br)c1ccccc1I 2042853590 KOGSRNSWQXWHKH-NSHDSACASA-N 455.948 6.277 50 10 JKGE Brc1csc([C@H](Br)c2cc3c(cc2Br)OCC3)c1 2052450195 JXNNZNXVTKFWDX-CYBMUJFWSA-N 452.993 5.692 50 10 JKGE CC(C)C[C@H](CBr)CNC(=O)c1cc(Br)sc1Br 2057120833 VCVJOXNXINNEDC-MRVPVSSYSA-N 462.045 5.060 50 10 JKGE CC(C)(C)OC(=O)NCCSSCCN[C@H]1CCc2cc(NC(=O)OC(C)(C)C)ccc21 2061265946 OEEOHNUIVBJCBX-IBGZPJMESA-N 483.700 5.517 50 10 JKGE Cc1c(Br)sc([C@H](Br)C2C[C@H]3CCC[C@@H]3C2)c1Br 2063519736 HWIPLZSCIVXXGE-KBVBSXBZSA-N 457.069 6.844 50 10 JKGE COc1cc(Cl)c([C@H](Br)c2ncsc2Br)cc1Br 2082381421 DTJDBUNHMPKTTK-VIFPVBQESA-N 476.415 5.814 50 10 JKGE Cc1cccc([C@@H](Cl)c2c(Br)sc(C)c2C)c1I 2082874433 VHJWNLAVHYYQEP-GFCCVEGCSA-N 455.586 6.369 50 10 JKGE C[C@H](c1cnn(Cc2ccccc2)c1)n1c(CCl)nc2cc(I)ccc21 2090023817 PWXXXYOKLXTWLF-CQSZACIVSA-N 476.749 5.234 50 10 JKGE CC1(C)[C@H]2CC[C@@H](C2)[C@@H]1[C@@H](Br)c1cc(Br)ccc1Br 2090089334 WNRRHXFNMNTJJH-MISXLKTNSA-N 451.040 6.720 50 10 JKGE Clc1cc2c(cc1[C@@H](Br)c1cscc1OCc1ccccc1)OCCO2 2100088751 GGXMIZCYLURVGS-HXUWFJFHSA-N 451.769 6.236 50 10 JKGE O=C(c1cc(Br)c(Br)s1)N1[C@H](CBr)C[C@@H]2CCC[C@H]21 2108392312 RAZDPQKXXVSTOK-OYNCUSHFSA-N 472.040 5.051 50 10 JKGE BrCc1cc(Br)cc(Br)c1O[C@@H]1[C@H]2CCCCC[C@H]21 2111902052 FDKKGWOWUNLDNM-JYAVWHMHSA-N 453.012 6.064 50 10 JKGE ClCc1nc2cc(Cl)c(Br)cc2n1[C@@H]1CCCN(Cc2ccccc2)C1 2112701993 QUTJHGIHVTXJOH-OAHLLOKOSA-N 453.211 6.028 50 10 JKGE COc1c(Cl)cc(Br)cc1[C@@H](Br)c1c(Br)cnn1C 2138245212 BROADRLMQDNWQV-SNVBAGLBSA-N 473.390 5.091 50 10 JKGE Cc1cc(Br)c(F)c([C@@H](Cl)c2ccc(Br)cc2Br)c1 2138873128 WJEHORLFUBPLHS-ZDUSSCGKSA-N 471.389 6.750 50 10 JKGE CCc1cccc(CBr)c1OCc1c(Br)cccc1Br 2150490542 XKAMHWULWVCRCO-UHFFFAOYSA-N 463.007 6.248 50 10 JKGE CC1(C)C[C@@H](n2c(CCl)nc3cc(F)c(Br)cc32)CN1Cc1ccccc1 2154534157 GFPDIOLOPQKWJA-OAHLLOKOSA-N 450.783 5.902 50 10 JKGE CC1CCC2(CC1)[C@@H](Oc1ccc(Br)cc1Br)C[C@H]2Br 2157074405 CSZJJVLSBIOXHQ-YNOKFWAISA-N 467.039 6.323 50 10 JKGE Fc1c(C[C@H](CBr)c2ccc(Br)cc2)ccc(Cl)c1Br 2166821341 CEYAQGMJHPUTJN-LLVKDONJSA-N 485.416 6.725 50 10 JKGE CC1(C)C[C@@H](CBr)CN(C(=O)c2ccc(Br)cc2Br)C1 2172584639 DXJKZUMPXFILHY-JTQLQIEISA-N 468.027 5.095 50 10 JKGE FCCOc1cccc([C@H](Br)c2c(Cl)sc(Br)c2Cl)c1 2189518067 NHWWCEIIKWGTEL-JTQLQIEISA-N 462.993 6.650 50 10 JKGE FC(F)(F)c1cc(Cl)cc([C@H](Br)c2sc(Cl)cc2Br)c1 2200838317 OCJHSIQJIFCADO-JTQLQIEISA-N 468.947 7.321 50 10 JKGE Cc1cc(Br)c(C)c([C@H](Br)[C@H]2COCCC2(F)F)c1Br 2201080423 YDCOIZOMPOWEAU-NOZJJQNGSA-N 476.981 5.936 50 10 JKGE COc1cc(Cl)c([C@H](Br)c2cc(C)cc(Br)c2)cc1Br 2202349550 ZWLGYSDMUOUUJQ-OAHLLOKOSA-N 483.425 6.666 50 10 JKGE CC1(C)CC([C@@H](Br)c2ccc(Br)cc2Br)CC(C)(C)C1 2203706073 QWLCETXCADYVNW-OAHLLOKOSA-N 467.083 7.500 50 10 JKGE COc1c(C)cc(Br)cc1[C@H](Br)c1c(Br)nn(C)c1C 2206606677 VIEAZJXZCKPBSY-LBPRGKRZSA-N 466.999 5.055 50 10 JKGE Cc1sc([C@@H](Br)c2sc(C)c(C)c2Br)cc1Br 2215942503 AQLRZRDHIOMVGE-LLVKDONJSA-N 459.066 6.744 50 10 JKGE CC1(C)CCC[C@@H](c2sc(Br)c(Br)c2Br)[C@H]1Cl 2216393796 MAGHAASXQRCNBP-QUBYGPBYSA-N 465.476 6.937 50 10 JKGE BrC[C@H](Cc1cccc(Br)c1)Cc1ncsc1Br 2219011756 XTBIDBDBXDNBLO-SNVBAGLBSA-N 454.025 5.464 50 10 JKGE Cc1nn(C)c([C@@H](Cl)c2c(Br)sc(Br)c2Cl)c1Cl 2224017422 DYGMMDZQEUOXOU-LURJTMIESA-N 453.414 5.950 50 10 JKGE C[C@H](Cl)c1nc2cc(Br)c(Br)cc2n1[C@H]1CCN(Cc2ccccc2)C1 2225687002 LYZVCYCXNRSZPD-ZFWWWQNUSA-N 497.662 6.308 50 10 JKGE Fc1cc(Br)c(Br)cc1[C@H](Br)[C@]12CCCC[C@H]1CCC2 2233973813 BPQOHFHELJUDOA-HNHYXYPQSA-N 469.030 7.147 50 10 JKGE COc1cc(Br)c([C@@H](Br)c2cc(Br)ccc2F)cc1C 2236015438 ZOLMTNFZTLQJRD-OAHLLOKOSA-N 466.970 6.152 50 10 JKGE COc1sc([C@@H](Cl)c2c(F)cccc2I)cc1Br 2255902092 PGMQXIGQYIDCCL-LLVKDONJSA-N 461.521 5.591 50 10 JKGE COc1ccc([C@H](Br)c2cc(C)c(Cl)s2)cc1I 2257357064 WLXBYDBOLNGNKA-LBPRGKRZSA-N 457.558 5.807 50 10 JKGE CCc1ccc([C@@H](Br)Cc2cc(Br)cc(Br)c2)s1 2263446749 QUFHHPLADBRAQP-ZDUSSCGKSA-N 453.037 6.514 50 10 JKGE Brc1cc(Br)cc(C[C@@H](Br)c2ccccc2Br)c1 2263518249 BKQMYPPXZTYQKN-CQSZACIVSA-N 497.850 6.653 50 10 JKGE BrCCCCC1CCN(c2ncc(Br)cc2Br)CC1 2267978778 ZTOSVOGMCNJQMU-UHFFFAOYSA-N 455.032 5.388 50 10 JKGE COc1ccc([C@@H](Br)c2cc(Cl)sc2Cl)c(Br)c1Cl 2268265096 BDPAFLFNRAFPGF-SECBINFHSA-N 465.421 6.964 50 10 JKGE C[C@@H]1CC[C@H](C[C@@H](Br)c2c(F)cc(Br)c(F)c2Br)O1 2272724231 OBCOAUGQKDXRKX-BWZBUEFSSA-N 462.954 5.883 50 10 JKGE C[C@@]1([C@H](Br)c2c(F)cc(Br)c(F)c2Br)CCCOC1 2272747853 ORGBCRRGFLOROG-CHWSQXEVSA-N 462.954 5.743 50 10 JKGE CC[C@]1([C@@H](Br)c2c(F)cc(Br)c(F)c2Br)CC1(F)F 2272843967 UNTHJELOMQQXNY-WDEREUQCSA-N 468.908 6.361 50 10 JKGE COc1cc(Cl)c([C@H](Br)c2cscc2OCc2ccccc2)c(OC)c1 2277609056 CMTHIAKENTZDNN-HXUWFJFHSA-N 453.785 6.482 50 10 JKGE Cc1cc(Br)c(CBr)c(Oc2cccc(C)c2I)c1 2277897363 QCIIBNVALMSEAF-UHFFFAOYSA-N 495.980 6.358 50 10 JKGE COCc1csc([C@@H](Br)Cc2cc(Br)cc(Br)c2)c1 2277958715 KFWQHANBRGSING-ZDUSSCGKSA-N 469.036 6.098 50 10 JKGE Clc1ccc([C@H](Cl)Cc2cc(Br)cc(Br)c2)cc1Br 2277962282 FHWCRERAQUPJCY-CQSZACIVSA-N 487.844 7.150 50 10 JKGE COc1c(Br)cc(Cl)cc1[C@@H](Br)c1cn(C)nc1Br 2277987623 WLJXZGWBXIYKJN-SNVBAGLBSA-N 473.390 5.091 50 10 JKGE CCCOc1ccc([C@@H](Cl)c2scc(Br)c2Cl)cc1Br 2279283353 LVGQQQYEPOZPGQ-GFCCVEGCSA-N 459.030 7.044 50 10 JKGE COc1ccc([C@H](Br)c2cc3cscc3s2)c(Br)c1Cl 2283559498 GWNNYATWISOCFW-LBPRGKRZSA-N 452.620 6.872 50 10 JKGE COc1ccc([C@H](Cl)Cc2ccc(Br)cc2F)cc1I 2284996494 JJHCULDWJZRHLM-GFCCVEGCSA-N 469.519 5.724 50 10 JKGE COc1ccc([C@@H](Br)[C@H]2CC(C)(C)OC2(C)C)cc1I 2285010509 QZZLZQKBHKHWQU-BXUZGUMPSA-N 453.158 5.330 50 10 JKGE C=CC[C@@]1(CBr)CCCN1C(=O)c1cc(Br)cc(Br)c1 2287791753 LNMYTVNUCGLJDC-HNNXBMFYSA-N 466.011 5.157 50 10 JKGE Fc1cc(Cl)cc([C@H](Br)c2c(F)cc(Br)c(F)c2Br)c1 2288350026 WCKFFFMRYZKMIA-NSHDSACASA-N 493.342 6.767 50 10 JKGE Clc1ccc(Br)cc1CO[C@H](CI)c1ccccc1Cl 2295174587 ZRQOSRCCNQEVER-OAHLLOKOSA-N 485.974 6.449 50 10 JKGE Cc1cc(Cl)c([C@H](Cl)Cc2cc(Br)cc(Br)c2)cc1Cl 2295276843 KEIAFCDANPKBMY-OAHLLOKOSA-N 457.420 7.349 50 10 JKGE COc1cc(NC=C(C#N)c2nc(-c3cccc(Br)c3)cs2)cc(OC)c1OC 2296048003 BTSFDERPGQFBJS-UHFFFAOYSA-N 472.364 5.575 50 10 JKGE Cc1ccc(N2C(=O)[C@H](Cc3cccc(C)c3)SC2=C(C#N)C(=O)Nc2ccc(F)cc2)cc1 2296634297 PHRRKXKRDYQMHO-DEOSSOPVSA-N 471.557 5.508 50 10 JKGE N#CC(=Cc1ccc(-c2cc(Cl)ccc2Cl)o1)C(=O)Nc1sc2c(c1C(N)=O)CCCC2 2296689797 VEHIXRZXVGBLQB-UHFFFAOYSA-N 486.380 5.838 50 10 JKGE CC(C)OC(=O)c1cc(Br)ccc1-c1ccc(C=C(C#N)c2nc3ccccc3[nH]2)o1 2297368396 CYZUEPXYFDPZAF-UHFFFAOYSA-N 476.330 6.215 50 10 JKGE CC1(C)CO[C@H]([C@@H](Br)c2ccc(OCc3ccccc3)cc2Br)C1 2299490179 WPXVMVLRYAIHEH-OALUTQOASA-N 454.202 6.279 50 10 JKGE CC1(C)C[C@H]1CC[C@H](Br)c1cc(Br)ccc1OCc1ccccc1 2299530504 MONDPTJSWNQNCC-APWZRJJASA-N 452.230 7.290 50 10 JKGE CCOc1cc(C=C(C#N)C(=O)Nc2cc(C)ccc2C)ccc1OCc1ccc(Cl)cc1Cl 2313561181 YHUFEBMZAOHVQU-UHFFFAOYSA-N 495.406 7.134 50 10 JKGE Cc1ccc(COc2ccc(Br)cc2C=C(C#N)C(=O)Nc2ccc(F)cc2)cc1 2313630404 KYETVXPEFBESEL-UHFFFAOYSA-N 465.322 6.021 50 10 JKGE COc1ccc(CNC(=O)C(C#N)=Cc2cc(Br)ccc2OCc2ccccc2)cc1 2313738657 NALRTZWBMUTCKB-UHFFFAOYSA-N 477.358 5.260 50 10 JKGE Cn1c(C(C#N)=Cc2c(Oc3ccc(Cl)cc3)nc3ccccn3c2=O)nc2ccccc21 2314436836 MQXUVGHMMSIIGP-UHFFFAOYSA-N 453.889 5.091 50 10 JKGE Fc1cccc([C@@H](Br)c2cc(Br)ccc2OCc2ccccc2)c1Cl 2314449721 SDVUJZYJVUPPKN-LJQANCHMSA-N 484.590 7.305 50 10 JKGE CCc1ccc(C[C@@H]2SC(=C(C#N)C(=O)Nc3ccccc3)N(c3ccc(CC)cc3)C2=O)cc1 2314593674 QVRRKRDFFCCALJ-SANMLTNESA-N 481.621 5.876 50 10 JKGE CCCCCOc1ccc(C=CC(=O)Oc2ccc(C=C(C#N)c3ccccc3)cc2OC)cc1OC 2314720110 FYSGFGXEPUYGKW-UHFFFAOYSA-N 497.591 6.956 50 10 JKGE COc1ccc(C(C#N)=Cc2ccc(OC(=O)c3cc4ccccc4oc3=O)c(OC)c2)cc1OC 2320507116 ZAKKRJNOSXDEPI-UHFFFAOYSA-N 483.476 5.102 50 10 JKGE CN(Cc1ccc(I)c(Br)c1)[C@@H](CBr)C(C)(C)C 2325221215 FEFIQELTTWMHKI-ZDUSSCGKSA-N 489.033 5.295 50 10 JKGE CC(=Cc1cccc(Cl)c1)C(=O)N[C@@H](Cc1ccc(F)cc1)C(=O)Nc1ccc(SC#N)cc1 2330503085 WTIMVCNGPFODBC-DEOSSOPVSA-N 493.991 5.822 50 10 JKGE Brc1ccc(Br)c(CN2CC[C@H]3C[C@@H](Br)CC[C@H]32)c1 2330620626 FPCJUPOJNQSIRB-VZJVUDMVSA-N 452.028 5.350 50 10 JKGE COc1cccc(-c2csc(C(C#N)=C(O)[C@@H]3CC(=O)N(c4cc(Cl)ccc4OC)C3)n2)c1 2331246599 FBLNAKAPOOFHQP-OAHLLOKOSA-N 481.961 5.326 50 10 JKGE COC(=O)c1ccccc1N1C[C@H](C(O)=C(C#N)c2nc(-c3ccc(Cl)cc3)cs2)CC1=O 2331299254 NBDWFCCWCBRNJI-OAHLLOKOSA-N 479.945 5.096 50 10 JKGE COc1ccc(OC)c(-c2csc(C(C#N)=C(O)COc3ccc(C)cc3C(C)(C)C)n2)c1 2331325914 BODFKSZLGSCSAG-UHFFFAOYSA-N 464.587 6.305 50 10 JKGE CCOC(=O)Oc1ccc(C(O)=C(C#N)c2nc(-c3cc(C)c(OC)cc3C)cs2)cc1 2331402560 PDBHMMNYNSIKCQ-UHFFFAOYSA-N 450.516 5.921 50 10 JKGE CCN(Cc1ccccc1)c1ccc(C=C(C#N)c2nc(-c3cccc(Cl)c3)cs2)cc1 2331440240 SNTGEMJLOIILFW-UHFFFAOYSA-N 456.014 7.554 50 10 JKGE COc1ccc2ccccc2c1C=C(C#N)c1nc(-c2cc(Cl)cc(Cl)c2OC)cs1 2331467565 FWQWNNKXPQRCAU-UHFFFAOYSA-N 467.377 7.351 50 10 JKGE Brc1cc(OCc2ccccc2)ccc1[C@H](Br)c1ccc2c(c1)CCC2 2336049199 APEZYBMRPWGCBJ-HSZRJFAPSA-N 472.220 7.001 50 10 JKGE CCC[C@H]1CC[C@H]([C@H](Br)c2ccc(OCc3ccccc3)cc2Br)CC1 2336083297 JBYPXBMHKSUPAY-LTMIRXACSA-N 480.284 8.071 50 10 JKGE Fc1ccccc1[C@@H](CBr)Cc1ccc(Cl)c(I)c1 2337226512 ZSMRVDIIDBBQEW-LLVKDONJSA-N 453.520 5.805 50 10 JKGE COc1ccc(CC(=O)N(Cc2ccccc2)[C@H](CBr)C2CC2)c(Br)c1 2338815852 AMPHGBPWYKYGCE-HXUWFJFHSA-N 481.228 5.203 50 10 JKGE BrCC1(OCc2c(Br)cccc2Br)CCCCCC1 2340604543 UZSHKNXCFOTDGL-UHFFFAOYSA-N 455.028 6.216 50 10 JKGE Clc1ccc(C[C@@H]2C[C@H](Br)CC3(CCC3)C2)c(I)c1 2341027572 LRDNRWQMTOKEPC-YPMHNXCESA-N 453.589 6.221 50 10 JKGE CC(C)[C@@H]1CC[C@@H](Cl)[C@@H](Cc2ccc(I)c(Br)c2)C1 2349777571 BVYSRLXCIJFRMO-VNHYZAJKSA-N 455.605 6.276 50 10 JKGE CC(C)(CI)COc1ccc(OC(F)(F)F)c(Br)c1 2351663276 DXWCOOYCFGJJGK-UHFFFAOYSA-N 453.036 5.188 50 10 JKGE Fc1cc(Cl)c(Br)c(Cl)c1[C@H](Br)CC(F)(F)C(F)(F)F 2360400100 HOXULTKTJWATJS-GSVOUGTGSA-N 468.844 6.919 50 10 JKGE Fc1cc(Cl)c(Br)c(Cl)c1[C@@H](Br)c1cc2c(s1)CCC2 2360493635 RENUHDWOBFMNAM-ZDUSSCGKSA-N 459.005 6.930 50 10 JKGE CC1CC2(C1)CC([C@@H](Br)c1c(Cl)cc(Br)c(F)c1Br)C2 2362222334 HVBZHMRIJBUNDD-OBRCGDTLSA-N 489.448 7.266 50 10 JKGE CC1(C)CCC[C@](CBr)(Cc2ccc(Cl)c(I)c2)CC1 2362379266 LVQYDENWLMUGOD-QGZVFWFLSA-N 469.632 6.859 50 10 JKGE Fc1cc(CBr)c(N2CCCN(Cc3ccccc3)CC(F)(F)C2)cc1Cl 2362405183 ILQFMVIJDYFKAX-UHFFFAOYSA-N 461.753 5.722 50 10 JKGE Fc1cc(CBr)c(N2CCC3(CCN(Cc4ccccc4)CC3)C2)cc1Cl 2362406056 LBZNNWCCUCGSBX-UHFFFAOYSA-N 451.811 5.867 50 10 JKGE Cc1cc(OCc2ccc(Cl)c(I)c2)cc(C)c1CBr 2362426935 DCKXDBPUJGGLBH-UHFFFAOYSA-N 465.556 6.035 50 10 JKGE COc1c(Br)cc(C)c([C@H](Cl)c2scc(C)c2Cl)c1Br 2365182565 BQJNQUWHYWNHOZ-LBPRGKRZSA-N 459.030 6.880 50 10 JKGE COc1c(Br)cc(C)c([C@H](Br)[C@@H]2C[C@@H]3CC[C@H]2O3)c1Br 2365193679 KAFFEEHEYFWBFK-SEMCEJNYSA-N 469.011 5.532 50 10 JKGE CCOc1ccc([C@@H](Br)c2cc(I)ccc2F)c(F)c1 2367461916 XRAFMWIIUHUOMA-OAHLLOKOSA-N 453.064 5.452 50 10 JKGE CCc1cc(Br)c(OC)c([C@H](Br)c2cn(C)nc2Br)c1 2381233732 DMXLIZVEHUVECQ-LBPRGKRZSA-N 466.999 5.000 50 10 JKGE CC(C)(C)OC(=O)N1CCC[C@@](CBr)(OCC2CCC(C(F)(F)F)CC2)C1 2381549450 BFBMVHYVKAUVAR-JMLCCBQJSA-N 458.359 5.536 50 10 JKGE N#C/C(=C/c1c(-c2ccccc2)n(-c2ccccc2)c2ccccc12)C(=O)Nc1ccccc1F 3306652 SECOERWWFWTCEP-QOCHGBHMSA-N 457.508 6.982 50 10 JKGE CCCCCOc1ccc(C(=O)NC(=S)NNC(=O)c2sc3ccccc3c2Cl)cc1 14029729 CCLFFDNEWLFXSC-UHFFFAOYSA-N 476.023 5.073 50 10 JKGE O=C(N/N=C/c1ccc(OCc2ccc(F)cc2)o1)c1ccc(NC(=O)c2ccccc2)cc1 20291555 NDQBEOUXJWXYGE-LQKURTRISA-N 457.461 5.014 50 10 JKGE N#C/C(=C(/Nc1ccccc1F)SCc1ccccc1Cl)S(=O)(=O)c1ccccc1 20324989 CNEKQSMQRSDLMC-QURGRASLSA-N 458.967 5.991 50 10 JKGE CC1(C)[C@]2(C)CC[C@@]1(C(=O)Oc1ccc3ccccc3c1Br)[C@@H](Br)C2=O 33514328 AJIKWFJKWZQAOS-DQLDELGASA-N 480.196 5.667 50 10 JKGE Cc1cc(/C=C(C#N)\C(O)=N\c2nc3ccc(S(C)(=O)=O)cc3s2)c(C)n1-c1ccc(O)cc1 33585012 NCNQWYZXBKIUMG-BOPFTXTBSA-N 492.582 5.008 50 10 JKGE CCCCOc1ccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4cccc([N+](=O)[O-])c4)ccc32)cc1 38650887 FXGVONQIYPQYJM-RUZDIDTESA-N 485.496 5.211 50 10 JKGE CCc1ccc(O[C@@H](C)C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@@H]3c2ccc(SC)cc2)cc1 38682553 QUJONRUBTIQAMW-MRDQGFSESA-N 486.593 5.562 50 10 JKGE O=C(NNc1ncnc(N(Cc2ccccc2)Cc2ccccc2)c1[N+](=O)[O-])c1ccc(Cl)cc1 40607322 LLYXKSZMCGCARE-UHFFFAOYSA-N 488.935 5.002 50 10 JKGE CCCCCOc1ccc(NC(=O)C(=O)N/N=C/c2ccccc2OCc2ccccc2Cl)cc1 59382368 HEWWZPCMDFSLPD-RDRPBHBLSA-N 493.991 5.577 50 10 JKGE O=C(N/N=C(/CSc1nc2ccccc2[nH]1)c1ccc([N+](=O)[O-])cc1)c1cccc(Cl)c1 59460700 IHHMXAVNYDTNSQ-QOMWVZHYSA-N 465.922 5.051 50 10 JKGE CCCCCCCCCCCCCCCC[C@H](O)c1nc2ccccc2c(=O)n1C(=O)CCl 60001144 VCULAUGMOYFXLV-DEOSSOPVSA-N 477.089 7.180 50 10 JKGE CCCCC1CCC(C(=O)N2c3ccc(C(=O)[C@H](Br)C(C)C)cc3C[C@@H]2C)CC1 71432713 VKDUWLJNIJTVRO-QIKFBPPQSA-N 462.472 6.563 50 10 JKGE C[C@H]1C[C@@H](N(C(=O)NCCCl)c2ccccc2)c2ccccc2N1C(=O)c1ccc(Cl)cc1 72441410 MDKZETIEWYQUSI-MHECFPHRSA-N 482.411 6.275 50 10 JKGE CCOc1ccccc1NC(=O)/C(C#N)=C\c1ccc(COc2cccc(C(F)(F)F)c2)o1 96438848 QZDGUGMGXKATSC-VBKFSLOCSA-N 456.420 5.822 50 10 JKGE CSc1cccc(N/C(SCc2ccccc2Cl)=C(\C#N)S(=O)(=O)c2ccccc2)c1 96482166 XVISYUFHDLYOIY-FCQUAONHSA-N 487.071 6.574 50 10 JKGE Cc1ccc(-c2csc(/C(C#N)=C\Nc3ccccc3OC(F)(F)[C@@H](F)Cl)n2)cc1C 102419833 YGFFXSKHGPSDAJ-NRFGWYQLSA-N 463.912 6.910 50 10 JKGE N#CC1=C(S)N(c2ccccc2)[C@H](/C=C\c2ccc(-c3cc(Cl)ccc3Cl)o2)NC1=O 102957737 GLSUONZYFCGARF-ZRKSWWEUSA-N 468.365 5.894 50 10 JKGE Clc1ccc([C@@H](Br)c2cc3c(cc2Br)OCCO3)c(Cl)c1 109865390 IOSOOWYZFVHNIP-OAHLLOKOSA-N 452.957 6.011 50 10 JKGE O=C(Br)N1c2ccccc2[C@H](Br)[C@@H](Br)c2ccccc21 136551584 XJGIMRNXFBIKAU-KBPBESRZSA-N 459.963 6.225 50 10 JKGE CCCCCCOc1ccc(/C=C(/C#N)C(=O)Nc2nc3ccc([N+](=O)[O-])cc3s2)cc1OC 206259113 RZAFDROKFONFJK-ATVHPVEESA-N 480.546 5.718 50 10 JKGE Cc1cc(I)ccc1N/C=C(/C#N)C(=O)Nc1cccc(Cl)c1C 217089365 VJLNXIFZHZZDLO-RAXLEYEMSA-N 451.695 5.020 50 10 JKGE Fc1ccc(Br)cc1[C@@H](Br)c1cc(Br)c(Cl)s1 227847713 MRIJNLXITQQETM-SNVBAGLBSA-N 463.391 6.550 50 10 JKGE Clc1ccc(Br)cc1[C@H](Br)c1cc(Br)cc2c1OCC2 228442456 DCABVULQGHVPDL-AWEZNQCLSA-N 481.409 6.284 50 10 JKGE BrCc1cc(OCc2cc(Br)cc3c2OCC3)ccc1Br 228486421 KCQWMHAYTNNIIA-UHFFFAOYSA-N 476.990 5.620 50 10 JKGE Cl[C@@H](c1cc(I)ccc1Br)c1csc2ccccc12 236032489 UOWMROYBFQYJHE-HNNXBMFYSA-N 463.565 6.597 50 10 JKGE O=C(NN=Cc1ccc2c(c1)OCO2)c1ccc(-n2c(-c3ccccc3)ccc2-c2ccccc2)cc1 254487129 RZWKLXCBJMBKOF-UHFFFAOYSA-N 485.543 6.304 50 10 JKGE Cc1cc([C@@H](Cl)c2cc(I)ccc2Br)c(C)cc1Cl 300465238 UXKLWMPBCIWNCI-OAHLLOKOSA-N 469.975 6.652 50 10 JKGE O=C(OCc1ccccc1)N1C[C@@H](CI)[C@@H](c2ccc(CCl)cc2)C1 382705765 FJJOGSZMKMZSSM-RTBURBONSA-N 469.750 5.213 50 10 JKGE CC(C)(C)OC(=O)NCCN1CCc2ccccc2[C@H]1c1cccc(CO[Si](C)(C)C(C)(C)C)c1 616679153 DQQYHNOVYSFGNY-AREMUKBSSA-N 496.768 6.681 50 10 JKGE Cl[C@H](c1cc(Br)c2c(c1)CCCO2)c1ccccc1I 689612111 LJXVQDPNTVSEBR-OAHLLOKOSA-N 463.540 5.707 50 10 JKGE Cc1cc(Br)c([C@@H](Br)c2cc3cscc3s2)cc1Br 694360182 IUHGLFZDFRPWPI-CQSZACIVSA-N 481.072 7.281 50 10 JKGE Cc1cccc2nc([C@H](C)Cl)n(CC3(N(Cc4ccccc4)Cc4ccccc4)COC3)c12 705870561 YJYOGIHCOHKNRC-QFIPXVFZSA-N 460.021 6.116 50 10 JKGE Clc1cscc1[C@H](Br)c1cc(I)cc2c1OCC2 711565616 MAXIYYJMHUAJOJ-GFCCVEGCSA-N 455.542 5.425 50 10 JKGE FC(F)(F)c1cc(Cl)ccc1[C@@H](Br)c1cc(Cl)c(Br)s1 712617611 AUGGRZMDWZINFO-SNVBAGLBSA-N 468.947 7.321 50 10 JKGE CCN(C[C@@](C)(CI)OC1CCCCCCC1)C(=O)OC(C)(C)C 721101876 QRODOXOVKQTTBV-LJQANCHMSA-N 453.405 5.567 50 10 JKGE Cc1sc([C@@H](Br)c2ccc(Br)c(Cl)c2)c(C)c1Br 724909144 MBPOVTROGYKYNS-LBPRGKRZSA-N 473.455 7.028 50 10 JKGE CC(=NNC(=O)CCCSc1nnc(CCc2ccccc2)n1-c1ccccc1)c1cccs1 1083936056 IDBQVXRCLHSUGH-UHFFFAOYSA-N 489.670 5.527 50 10 JKGE COc1ccc(/C=C(/C#N)C(=O)Nc2cccc([N+](=O)[O-])c2)cc1OCc1c(Cl)cccc1Cl 1084038842 KDCYNXLMFCQONR-YBEGLDIGSA-N 498.322 6.035 50 10 JKGE Cc1cc(C=NNC(=O)[C@@H](C)Sc2ccc(Cl)cc2)c(C)n1-c1ccc(Br)cc1 1084169181 WSKIGTWFKBRAPX-MRXNPFEDSA-N 490.854 6.141 50 10 JKGE CC(C)Cc1ccc([C@@H](C)C(=O)NN=Cc2cc(Br)cc(Br)c2O)cc1 1084243256 WFAXSAUVGIZTER-CYBMUJFWSA-N 482.216 5.370 50 10 JKGE Cc1ccc(-c2ccc(/C=C(/C#N)C(=O)Nc3cccc(Cl)c3Cl)o2)c(Br)c1 1084258836 FKIAFADDFSTTAG-RAXLEYEMSA-N 476.157 6.870 50 10 JKGE O=C(NN=C(CSc1nc2ccccc2s1)c1ccc(Br)cc1)c1cccnc1 1084577857 GEJFMFYVRDMMAE-UHFFFAOYSA-N 483.416 5.380 50 10 JKGE Cc1cccc(C(=O)NN=C2CCCc3oc(C(=O)Oc4cccc5cccnc45)c(C)c32)c1 1772744536 FMCQQBSHZCQPAM-UHFFFAOYSA-N 453.498 5.134 50 10 JKGE Cc1ccc(C(=O)NN=C2CCCc3oc(C(=O)Nc4cccc(C(F)(F)F)c4)c(C)c32)cc1 1772745070 RIKDDECREMDIHU-UHFFFAOYSA-N 469.463 5.638 50 10 JKGE CC(C)c1ccccc1NC(=O)COc1cccnc1NC(=O)Nc1ccc(SC#N)cc1 1858828844 CBLONFODNNEZMJ-UHFFFAOYSA-N 461.547 5.440 50 10 JKGE COc1ccc(-c2nn(-c3ccc(C)cc3)c3c2[C@@H](c2ccc(N(C)C)cc2)C(C#N)=C(N)O3)cc1 1865683019 CZCRJYPUIRSRIV-VWLOTQADSA-N 477.568 5.141 50 10 JKGE N#CC1=C(N)Oc2c(c(-c3ccccc3)nn2-c2ccccc2)[C@H]1c1ccc(Cl)c(Cl)c1 1865685696 LRALTEOXYIRFMC-NRFANRHFSA-N 459.336 6.064 50 10 JKGE Cc1ccc(-n2nc(-c3ccccc3)c3c2OC(N)=C(C#N)[C@H]3c2cc(Cl)ccc2O)cc1 1865689782 WNDAFPGIQGGEJV-JOCHJYFZSA-N 454.917 5.425 50 10 JKGE CCOc1cccc([C@H]2C(C#N)=C(N)Oc3c2c(-c2ccc(OC)cc2)nn3-c2ccc(OC)cc2)c1 1865690229 MAIKRVXREATFCJ-VWLOTQADSA-N 494.551 5.173 50 10 JKGE CCc1nn(Cc2cccc(Cl)c2)c2c1[C@H](c1ccc(OCc3ccccc3)cc1)C(C#N)=C(N)O2 1865690502 SXBKOCVUPMCYPW-AREMUKBSSA-N 496.998 5.944 50 10 JKGE Cc1ccc(Cn2nc(C)c3c2OC(N)=C(C#N)[C@H]3c2ccc(OCc3ccc(Cl)cc3)cc2)cc1 1865695180 MAZPKPRTDGPTSK-HHHXNRCGSA-N 496.998 5.999 50 10 JKGE CCCCCOc1ccc([C@H]2C(C#N)=C(N)Oc3c2c(CC)nn3Cc2ccc(C)cc2)cc1OC 1865696467 NJYQPLKMKCXDNN-SANMLTNESA-N 486.616 5.598 50 10 JKGE COc1cccc([C@@H]2C(C#N)=C(N)Oc3c2c(-c2ccccc2)nn3-c2ccccc2Cl)c1OC 1865701364 UBMGJRBSEMVLHM-JOCHJYFZSA-N 484.943 5.428 50 10 JKGE Cc1nn(Cc2c(F)cccc2Cl)c2c1[C@H](c1cc(Br)ccc1F)C(C#N)=C(N)O2 1865702059 LRASRVZPEVLUPW-LJQANCHMSA-N 491.723 5.152 50 10 JKGE COc1ccc(-c2nn(-c3cccc4ccccc34)c3c2[C@@H](c2ccc(F)cc2)C(C#N)=C(N)O3)cc1 1865708037 MKADRENSDIKNKA-SANMLTNESA-N 488.522 6.058 50 10 JKGE CCc1ccc([C@@H]2C(C#N)=C(N)Oc3c2c(-c2ccc(OC)cc2)nn3-c2ccc(OC)cc2)cc1 1865708966 KIMFJRVWCIQVQG-RUZDIDTESA-N 478.552 5.337 50 10 JKGE CCOC(=O)c1c(NC(=O)/C(C#N)=C/c2ccccc2)sc(C(=O)Nc2ccccc2)c1C 1865911675 WWHSSKOBDOEOAL-NBVRZTHBSA-N 459.527 5.031 50 10 JKGE CC(C)N1CCN(c2cc(Nc3ccc(SC#N)cc3)nc(Cc3ccccc3)n2)c2ccccc21 1868207001 BYGOESKBIJNUGU-UHFFFAOYSA-N 492.652 6.751 50 10 JKGE COc1cc(/C=C(\C#N)c2nc3ccc(C)cc3[nH]2)ccc1OC(=O)c1cccc([N+](=O)[O-])c1 1872727963 IMIAOFIMPRJNET-WOJGMQOQSA-N 454.442 5.072 50 10 JKGE N#C/C(=C(/O)c1cc([N+](=O)[O-])ccc1Cl)c1nc(-c2ccc(Br)cc2)cs1 1872746740 VVQRTEISPVAWLU-VKAVYKQESA-N 462.712 6.084 50 10 JKGE N#C/C(=C(/O)CN1C(=O)COc2ccc(Cl)cc21)c1nc(-c2cccc3ccccc23)cs1 1872752313 WKBOHVCAFFQFQY-QOCHGBHMSA-N 473.941 5.835 50 10 JKGE CCCCCOc1ccc(/C=C(\C#N)c2nc(-c3ccc(CCCC)cc3)cs2)cc1OCC 1872780793 LKXZGJWRNLRLPE-XIEYBQDHSA-N 474.670 8.185 50 10 JKGE COc1cc(/C=C(\C#N)c2nc(-c3ccc(F)cc3)cs2)ccc1OCCc1ccccc1 1872791445 JNCSEVBKJCNHOF-PXLXIMEGSA-N 456.542 6.643 50 10 JKGE Fc1ccsc1[C@H](Br)c1ccc(OCc2ccccc2)cc1Br 1899881041 CYEFUQBYLYCZNT-QGZVFWFLSA-N 456.174 6.713 50 10 JKGE C[C@@H](CCBr)CCSc1cc(I)ccc1Br 1900778930 DGRUUEBPJPMWAL-VIFPVBQESA-N 478.031 5.957 50 10 JKGE C[C@H](Cl)c1nc2c(Br)cc(F)cc2n1[C@@H]1C[C@@H](C)N(Cc2ccccc2)C1 1912674548 PKDFKGGABJFGEH-JKIFEVAISA-N 450.783 6.073 50 10 JKGE C[C@@H](CBr)N(Cc1ccccc1)S(=O)(=O)c1ccc(Cl)cc1C(F)(F)F 1914349355 XUGKGAYDFCVUNZ-LBPRGKRZSA-N 470.738 5.333 50 10 JKGE CC[C@H](Br)CN(Cc1ccccc1)S(=O)(=O)c1cc(Br)sc1C 1915073864 KPGDYXMXJGUMBV-AWEZNQCLSA-N 481.275 5.183 50 10 JKGE O=C(c1ccc(Br)cc1Cl)N(Cc1ccccc1)C1(CBr)CCC1 1915760430 OUAKCNJLXOLWGA-UHFFFAOYSA-N 471.620 6.063 50 10 JKGE C[C@@H]1CC[C@@H]([C@@H](Br)c2c(Br)sc(Br)c2Br)O1 1924579124 AIJAFJKADDKQHC-JCGDXUMPSA-N 497.872 6.039 50 10 JKGE Cc1csc([C@H](Cl)c2c(Br)sc(Br)c2Br)c1Cl 1924584419 XSJKNYCQVQNUDN-SSDOTTSWSA-N 499.902 7.387 50 10 JKGE Cl[C@H](c1c(Br)sc(Br)c1Br)[C@H]1CCCc2ccccc21 1924600374 QOXJVXGKANMVOJ-GWCFXTLKSA-N 499.493 7.436 50 10 JKGE CC[C@H](CC(C)C)[C@H](Cl)c1c(Br)sc(Br)c1Br 1924605279 OSXNJDXHSSKURZ-XCBNKYQSSA-N 467.492 7.388 50 10 JKGE Cn1nc([C@H](Br)c2c(Cl)sc(Br)c2Cl)cc1Br 1925557308 YWSMDGBJEGQDOU-LURJTMIESA-N 483.838 5.798 50 10 JKGE CCN(C[C@](C)(CI)O[C@@H]1CC[C@H]2CC[C@@H]1C2)C(=O)OC(C)(C)C 1947119614 BZYOLKSGHLLMDH-NNFUDEMPSA-N 451.389 5.032 50 10 JKGE CC(C)(C)OC(=O)N1CC(O)(CN(CCCCCCCCCBr)Cc2ccccc2)C1 1999508124 INSDXYRIPMQXLO-UHFFFAOYSA-N 497.518 5.596 50 10 JKGE Fc1cc(Br)cc(N(Cc2ccccc2)CC2CCCC2)c1CBr 2004045338 GMUNLPAFQRJTEF-UHFFFAOYSA-N 455.209 6.680 50 10 JKGE Cc1cc(Cl)c([C@@H](Br)c2cc(I)sn2)cc1Cl 2023200852 PVCNGSMWVXJMJZ-LLVKDONJSA-N 462.965 5.847 50 10 JKGE CC[C@@H](Br)CN(C(=O)c1cc(Br)c(Br)s1)C1CC1 2045278396 UOKPLTFHDUQJMK-SSDOTTSWSA-N 460.029 5.051 50 10 JKGE CCCC1CCC([C@@H](Br)c2cc(Br)c(Br)s2)CC1 2072695741 ITPUVBBOSLAJOF-SRHKJQAYSA-N 459.085 7.316 50 10 JKGE Cc1ccc([C@H](Cl)c2ccc(Br)cc2Br)c(Br)c1 2083324379 ZTWJKCNDRFYDOO-AWEZNQCLSA-N 453.399 6.611 50 10 JKGE CCCN(c1cccc(Br)c1CBr)C1CCN(Cc2ccccc2)CC1 2087297962 VZQUEVZLHNMUIW-UHFFFAOYSA-N 480.288 6.225 50 10 JKGE COc1cc(Br)c(C)cc1[C@@H](Cl)c1ccccc1I 2089732787 MJSLNWBNXWUSPT-HNNXBMFYSA-N 451.529 5.699 50 10 JKGE Fc1ccc([C@H](Br)c2cccc(Br)c2Br)c(F)c1Cl 2092335480 NSKIBRQYDNGNDJ-SNVBAGLBSA-N 475.352 6.628 50 10 JKGE Cc1cccc(Br)c1[C@@H](Br)c1cc(Br)c(Cl)cc1F 2097835733 UQFIFTUJJXWUHI-AWEZNQCLSA-N 471.389 6.797 50 10 JKGE Clc1nc(N2C[C@H]3CC[C@H]2[C@@H]2CN(Cc4ccccc4)C[C@@H]32)sc1CBr 2099096258 DZTBVKUPKXKBIK-TWMKSMIVSA-N 452.849 5.038 50 10 JKGE FC(F)c1ccc([C@H](Br)c2cc(Br)ccc2Br)cc1 2116016923 XCCKWMXQRUIZKE-ZDUSSCGKSA-N 454.934 6.634 50 10 JKGE C[C@@H]1CCC[C@@]12[C@@H](Oc1c(Br)cccc1Br)C[C@H]2Br 2117006766 GXDFQRXDDWCKCE-BXKLLYQPSA-N 453.012 5.933 50 10 JKGE C[C@@H](CCCCCI)NC(=O)c1ccc(Br)cc1Cl 2117893491 IFTMXAQSISQRPH-JTQLQIEISA-N 458.565 5.216 50 10 JKGE O=C(c1scc(Br)c1Br)N1CC[C@@H](CBr)C12CCC2 2133800598 ZTMUKQKZKCNJRT-QMMMGPOBSA-N 472.040 5.053 50 10 JKGE Fc1cc(Cl)c([C@H](Br)c2cc(Cl)ccc2I)cc1Cl 2139426766 QDOUBIKEPWVAOI-ZDUSSCGKSA-N 494.356 6.875 50 10 JKGE O=C(c1scc(Br)c1Br)N1CCCC[C@@H]1CCCBr 2141721925 OSOYXYUDGDSIJI-SECBINFHSA-N 474.056 5.443 50 10 JKGE CCCc1nsc(COc2c(Br)cc(Br)cc2CBr)n1 2158913120 IFXRPGCFXHTFDA-UHFFFAOYSA-N 485.039 5.490 50 10 JKGE CCCC(CBr)(CCC)CN=[S@](C)(=O)CC1CC(NC(=O)OC(C)(C)C)C1 2172245859 AUBBHXJRVWANHH-IYIBJFCGSA-N 467.514 5.369 50 10 JKGE CC(C)(C)[C@H]1[C@H](Br)CCN1C(=O)c1ccc(Br)cc1Br 2185098838 BPWUBLXPSZFIIE-DGCLKSJQSA-N 468.027 5.236 50 10 JKGE CC(C)(C)[C@H]1C[C@@H](CCl)CN(c2ncc(I)cc2Br)C1 2189899181 ATZHLHUMIHAPRI-QWRGUYRKSA-N 471.608 5.176 50 10 JKGE COc1cc(Br)c(C)cc1[C@H](Br)c1c(Br)c(C)nn1C 2192373275 BURWDJCFVSEZEE-ZDUSSCGKSA-N 466.999 5.055 50 10 JKGE Cc1c(Br)ccc([C@@H](Br)C23CCC(C)(CC2)OC3)c1Br 2203689647 ZDZPUXNAXOZMKC-QQFBHYJXSA-N 467.039 6.305 50 10 JKGE CO[C@H]1C[C@@H]([C@@H](Br)c2ccc(Br)c(C)c2Br)C[C@H]1OC 2203706742 TYNPTSVLWPRMCD-MSELDCQNSA-N 471.027 5.396 50 10 JKGE Clc1cc(Br)ccc1C[C@@H](Br)c1snc(Cl)c1Cl 2221696216 XTZZHAASVJAZFU-SSDOTTSWSA-N 450.410 6.545 50 10 JKGE COc1cc(Br)c([C@@H](Br)c2cc(C)c(Br)o2)cc1C 2227734478 MIQYJNYFBBRNAR-CYBMUJFWSA-N 452.968 5.914 50 10 JKGE Fc1cc(Br)cc([C@@H](Cl)c2c(Br)cc(Cl)c(Cl)c2Cl)c1 2232512326 NGHAGUFOXYKXAR-LLVKDONJSA-N 481.801 7.639 50 10 JKGE CCn1ncc(Br)c1[C@@H](Cl)c1c(Br)cc(Cl)c(Cl)c1Cl 2232519618 LMBGNWDFZSXLAZ-NSHDSACASA-N 481.830 6.716 50 10 JKGE COc1cc(Cl)c([C@@H](Cl)c2ccc(C)c(I)c2)cc1Br 2232837026 NYIDQMHVNQEIBO-HNNXBMFYSA-N 485.974 6.352 50 10 JKGE C[C@H]1C[C@@H](n2c(CCl)nc3c(F)cc(Br)cc32)CCN1Cc1ccccc1 2232925640 ALUYGLFKDXOGQZ-YOEHRIQHSA-N 450.783 5.902 50 10 JKGE Cc1cc(Br)c([C@@H](Cl)Cc2ccccc2Br)c(C)c1Br 2235607052 FDIMLEPTOXKIEI-AWEZNQCLSA-N 481.453 7.114 50 10 JKGE COc1ccc([C@@H](Br)c2ccc(F)c(Br)c2F)c(Br)c1 2240810458 PKTWYMXMBVJKBB-GFCCVEGCSA-N 470.933 5.983 50 10 JKGE COc1ccc([C@@H](Br)c2scc(Br)c2Cl)c(Br)c1 2253602725 UHDALPNZBUMLPG-SNVBAGLBSA-N 475.427 6.419 50 10 JKGE Clc1ccc([C@H](Cl)Cc2cccc(Br)c2)cc1I 2256367348 UCKMVUMYPXRHLT-CYBMUJFWSA-N 455.948 6.230 50 10 JKGE COc1ccc([C@@H](Cl)c2cc(Br)sc2C)cc1I 2257355522 PPYOWZOJNJGULO-CYBMUJFWSA-N 457.558 5.760 50 10 JKGE CC(C)(CC(F)F)[C@H](Br)c1c(F)cc(Br)c(F)c1Br 2272748022 QGJQAYNNIMYJDT-LLVKDONJSA-N 470.924 6.607 50 10 JKGE CCCCCCOc1ccc(-c2nn(-c3ccccc3)cc2C=C(C#N)C(=O)NCCCOC)cc1 2296705182 ZOBWEIFOECONPB-UHFFFAOYSA-N 486.616 5.558 50 10 JKGE C=CCOc1ccc(-c2nn(-c3ccccc3)cc2C=C(C#N)c2nc3ccccc3n2C)cc1 2296717912 IYIPDEPWLASLTM-UHFFFAOYSA-N 457.537 6.055 50 10 JKGE O=S1(=O)CCC[C@@H]1[C@@H](Br)c1cc(Br)ccc1OCc1ccccc1 2299527396 HOBGYTHHNCRYPS-MSOLQXFVSA-N 474.214 5.041 50 10 JKGE COc1csc([C@@H](Br)c2ccc(OCc3ccccc3)cc2Br)c1 2299529341 ARJBJTVNKZVIQR-IBGZPJMESA-N 468.210 6.583 50 10 JKGE C[C@@H]1[C@H](Br)CCC[C@@H]1Cc1ccc(I)c(Br)c1 2306210360 IJDVSGCUXIPFDC-MVWJERBFSA-N 472.002 5.796 50 10 JKGE Cc1ccc(C)c(NC(=O)C(C#N)=Cc2cc(Br)cc(Br)c2O)c1 2313518116 KEFCNRAWWIQDFT-UHFFFAOYSA-N 450.130 5.080 50 10 JKGE COc1ccc(NC(=O)C(C#N)=Cc2cc(Br)ccc2OCc2cccc(Cl)c2)cc1 2313670636 MEAUNXZORSZGCI-UHFFFAOYSA-N 497.776 6.236 50 10 JKGE Fc1cc(Br)c(Br)cc1[C@@H](Br)C[C@@H]1CCC1(F)F 2313815944 IOAYBHFCZQOSKP-XPUUQOCRSA-N 450.918 6.222 50 10 JKGE Brc1cc(OCc2ccccc2)ccc1[C@H](Br)[C@H]1CC[C@@H]2C[C@H]1CO2 2314445199 QINLIDPZAJDSIU-ONFYXGJMSA-N 466.213 6.279 50 10 JKGE N#CC(=Cc1ccc(-c2cccc(Cl)c2)o1)C(=O)Nc1cc(C(F)(F)F)ccc1Cl 2314571347 FELKBCJWZFDODZ-UHFFFAOYSA-N 451.231 6.818 50 10 JKGE CC1=C(C#N)C(=O)N(C2CCCC2)C(=O)C1=Cc1cn(-c2ccccc2)nc1-c1ccc2ccccc2c1 2314616839 KWXCGRLKWVZZNR-UHFFFAOYSA-N 498.586 6.227 50 10 JKGE CCOc1cc(C=C2C(=O)N(Cc3ccc(F)cc3)C(=O)C(C#N)=C2C)ccc1OCCC(C)C 2314620523 PSXYRFXWCMBZBC-UHFFFAOYSA-N 476.548 5.442 50 10 JKGE Cc1cocc1[C@H](Br)c1c(Cl)cc(Br)c(F)c1Br 2315439570 GSPFTXDXQOUSBW-JTQLQIEISA-N 461.350 6.390 50 10 JKGE CC12CC(C1)[C@H]([C@@H](Br)c1ccc(OCc3ccccc3)cc1Br)CO2 2315920135 SJMDQUXIWXKVHJ-DWGTVPPDSA-N 466.213 6.279 50 10 JKGE Cc1c([C@@H](Br)c2cc(Br)sc2Br)ccc(Cl)c1Cl 2317063549 FTVOIPKDQZHJGU-SNVBAGLBSA-N 493.873 7.373 50 10 JKGE N#CC(=CNc1cc(C(F)(F)F)cc(C(F)(F)F)c1)C(=O)Nc1cccc(C(F)(F)F)c1 2324406976 DNBHJGXNLXRPJY-UHFFFAOYSA-N 467.291 6.201 50 10 JKGE CN(Cc1ccc(I)c(Br)c1)[C@@H]1CCCC[C@@H]1Br 2325211358 HVZFSXBQKRJIBR-SMDDNHRTSA-N 487.017 5.192 50 10 JKGE CC(C)[C@@H]1C[C@@H](Br)CN1Cc1ccc(I)c(Br)c1 2325213497 KRNIIUFQAMJXDM-RISCZKNCSA-N 487.017 5.048 50 10 JKGE CN(Cc1ccc(I)c(Br)c1)C[C@H]1CCC[C@H]1Br 2325214726 RQCQONMGYWXPDE-VXGBXAGGSA-N 487.017 5.049 50 10 JKGE COc1cc(OC)c(OC)cc1C=C1Oc2c(ccc(OCc3cccc(CCl)c3)c2C)C1=O 2325361392 OEAKOAIVQJONBA-UHFFFAOYSA-N 480.944 5.955 50 10 JKGE Cc1cnc(Oc2cc(Br)cc(I)c2)cc1CBr 2327392071 UDZSUHDUTNZOGI-UHFFFAOYSA-N 482.941 5.444 50 10 JKGE CC(C)OC(=O)c1ccc(C(C#N)=Cc2ccc(-n3nc(-c4ccccc4)cc3-c3ccccc3)cc2)o1 2331049657 AMBVSOXCQXXMDP-UHFFFAOYSA-N 499.570 7.429 50 10 JKGE CCCCc1ccc(-c2csc(C(C#N)=C(O)c3c(Cl)ccc(Cl)c3Cl)n2)cc1 2331256566 AFXUENHAKZYLJN-UHFFFAOYSA-N 463.817 8.063 50 10 JKGE COc1ccc(-c2csc(C(C#N)=C(O)c3ccc4c(c3)C(=O)N(C(C)(C)C)C4=O)n2)cc1C 2331259069 GWNFXEHYPLIBDZ-UHFFFAOYSA-N 473.554 5.472 50 10 JKGE Cc1ccc(OCC(O)=C(C#N)c2nc(-c3ccc(Cl)c(Cl)c3)cs2)c(C(C)(C)C)c1 2331311676 MLPQOQKAIZCXFB-UHFFFAOYSA-N 473.425 7.595 50 10 JKGE N#CC(=C(O)CCCCCNC(=O)c1ccccc1)c1nc(-c2ccc3c(c2)OCCO3)cs1 2331331009 QHDIFKVCPFAAHV-UHFFFAOYSA-N 475.570 5.364 50 10 JKGE CC(C)[C@@H](C(O)=C(C#N)c1nc(-c2cccc3ccccc23)cs1)N1C(=O)c2ccccc2C1=O 2331339299 VRUCQEJBMGOKCF-DEOSSOPVSA-N 479.561 6.077 50 10 JKGE COc1cc(C)c(-c2csc(C(C#N)=C(O)C=Cc3ccc([N+](=O)[O-])cc3)n2)cc1C(C)C 2331356089 LUSJWLVAJZEMCE-UHFFFAOYSA-N 461.543 6.665 50 10 JKGE N#CC(=C(O)CCCCCNC(=O)c1ccccc1)c1nc(-c2ccc(Cl)s2)cs1 2331402274 JCPLRIIWUYHJFH-UHFFFAOYSA-N 458.008 6.308 50 10 JKGE COc1ccc(Cl)cc1-c1csc(C(C#N)=C(O)C(c2ccccc2)c2ccccc2)n1 2331409002 HRNFICITONTQGB-UHFFFAOYSA-N 458.970 7.097 50 10 JKGE CCCCCOc1ccc(C=C(C#N)c2nc(-c3cccc4ccccc34)cs2)cc1OCC 2331456428 MDRSUASYNDIRHF-UHFFFAOYSA-N 468.622 7.995 50 10 JKGE Cc1cc(C)c(C)c(-c2csc(C(C#N)=Cc3ccc(OC(=O)c4ccccc4)cc3)n2)c1C 2331468410 ISKJSOIFAFBRCO-UHFFFAOYSA-N 464.590 7.327 50 10 JKGE COc1c(Br)cc(C)c([C@@H](Br)[C@]2(C)CC2(F)F)c1Br 2339689626 DWJCCERVYRKVBO-NEPJUHHUSA-N 462.954 6.010 50 10 JKGE Cc1cc(OCc2cc(I)ccc2Br)c(CCl)cn1 2341552822 RWTHERPGEFJPNF-UHFFFAOYSA-N 452.517 5.075 50 10 JKGE Cl[C@H]1CC[C@H]2CCN(Cc3ccc(I)c(Br)c3)[C@H]1C2 2349857645 UUUWTBNDWRONLU-XEGUGMAKSA-N 454.577 5.036 50 10 JKGE CC1(C)CN(Cc2cc(I)ccc2Cl)C[C@@H]1CCBr 2352416404 UUTDOMOQWZATJW-LBPRGKRZSA-N 456.593 5.188 50 10 JKGE Clc1ccc(I)cc1CN1CC[C@]2(CCC[C@H]2Br)C1 2352421937 QWGCVMYHYYDOOS-HUUCEWRRSA-N 454.577 5.084 50 10 JKGE Cc1c(Br)ccc([C@@H](Br)[C@H]2[C@@H]3[C@H]2CCCC3(F)F)c1Br 2358115174 UMDXAPFNTAZJMQ-RBQWDTSBSA-N 472.993 6.637 50 10 JKGE Fc1c(Br)cc(Cl)c([C@H](Br)[C@@H]2CCC[C@H]2C(F)F)c1Br 2362226297 YGRLTYMCBTVUQS-OXOINMOOSA-N 499.390 7.122 50 10 JKGE Fc1c(Br)cc(Cl)c([C@H](Cl)Cc2ccc(Cl)cc2)c1Br 2362238165 HVIXPHOMDFZQPU-SNVBAGLBSA-N 461.383 7.180 50 10 JKGE C[C@@H](Br)C[C@H]1CCCCCN1Cc1ccc(Cl)c(I)c1 2362376737 XZHWOMZLYAMLJB-TZMCWYRMSA-N 470.620 5.863 50 10 JKGE FC(F)(F)[C@]1(CBr)CCN(Cc2ccc(Cl)c(I)c2)C1 2362379026 KTTDJWWGRLVQEU-LBPRGKRZSA-N 482.509 5.094 50 10 JKGE COc1ccc(C[C@@H](Br)c2c(C)sc(Br)c2C)c(Br)c1 2364193099 QVEKEIKPVTUJGZ-CYBMUJFWSA-N 483.063 6.577 50 10 JKGE Clc1ccc([C@@H](Br)c2ccc3c(c2)OCCO3)c(I)c1 2365597758 KCPNIBNKIHPYJG-HNNXBMFYSA-N 465.512 5.200 50 10 JKGE Cc1cc(Br)c(C)c([C@H](Br)[C@]23C[C@H](C[C@@H](C)O2)C3)c1Br 2368714838 WMZDTIXMRHZYIT-POBSAJCXSA-N 467.039 6.222 50 10 JKGE Cc1cc([C@H](Br)c2cc3c(cc2Br)OCCC3)oc1Br 2369619682 WIGUMBGCUQOZGA-CQSZACIVSA-N 464.979 5.922 50 10 JKGE COc1c(F)cc([C@@H](Br)c2c(Br)cccc2Br)cc1F 2370440488 PCSCFQAQOYRZQE-CYBMUJFWSA-N 470.933 5.983 50 10 JKGE CCCOc1ccc(Br)cc1/C=N/NC(=O)COc1ccc(Cl)cc1Cl 3174743 GCPOZGNUCDGRGC-LSHDLFTRSA-N 460.155 5.074 50 10 JKGE Cc1ccc(C)c(NC(=O)/C(C#N)=C/c2ccc(OC(=O)c3ccc(Br)cc3)cc2)c1 3232189 BRXSBEKGNDGDTA-XSFVSMFZSA-N 475.342 5.831 50 10 JKGE Cc1cc(-c2ccc(/C=N\NC(=O)c3cc4c(ccc5ccccc54)o3)o2)cc([N+](=O)[O-])c1C 8437768 WDDTUGVXHFEHFB-VYYCAZPPSA-N 453.454 6.135 50 10 JKGE CC[C@H](Oc1ccc(-c2ccccc2)cc1)C(=O)NNC(=O)[C@H](C)Oc1ccc(Cl)cc1Cl 14768619 XQMQTHPUTYIWDH-AOMKIAJQSA-N 487.383 5.433 50 10 JKGE N#C/C(=C/c1ccc(OCc2ccc(Cl)cc2Cl)c(Br)c1)c1nc2ccccc2[nH]1 16525055 XVYUZYXVROXOIM-SXGWCWSVSA-N 499.195 7.275 50 10 JKGE CCOc1ccccc1[C@H]1C(C#N)=C(N)Oc2cc(OC(=O)c3ccc(C(C)(C)C)cc3)ccc21 38650431 KQLNAVYMQSCMBV-AREMUKBSSA-N 468.553 5.820 50 10 JKGE N#C/C(=C\c1ccc(-c2cc(Cl)ccc2Cl)o1)C(=O)Nc1ccccc1C(F)(F)F 39884739 OIPFMFNYVGJCPY-FMIVXFBMSA-N 451.231 6.818 50 10 JKGE Cc1cccc(COc2ccc(Br)cc2/C=C(\C#N)C(=O)Nc2cccc(Cl)c2C)c1 59254470 FWGYCEBXNRMXPU-UDWIEESQSA-N 495.804 6.844 50 10 JKGE N#C/C(=C\c1ccc(-c2cc([N+](=O)[O-])c(Cl)cc2Cl)o1)C(=O)Nc1cccc(Cl)c1Cl 59336129 WQQDFUQQVFMQOX-UXBLZVDNSA-N 497.121 7.014 50 10 JKGE CCC1CCC(=NNC(=O)CN(c2ccc(C(C)C)cc2)S(=O)(=O)c2ccccc2)CC1 59371728 SPYQAHGAZNUIDF-UHFFFAOYSA-N 455.624 5.078 50 10 JKGE Clc1cc(I)c(OCC2(CBr)CC2)c2ncccc12 96870984 FQFDFRQUEKTJJC-UHFFFAOYSA-N 452.517 5.047 50 10 JKGE CCCCCCCCCCCCCC(=O)NNC(=O)[C@H](C)Oc1ccc(Cl)cc1Cl 100442985 FIALYFSFUJUBDE-SFHVURJKSA-N 459.458 6.609 50 10 JKGE CCc1ccc(N2C(=O)[C@H](Cc3ccccc3)S/C2=C(/C#N)C(=O)N[C@H](C)c2ccccc2)cc1 101242796 GUKKGPPGKPXGAG-ZFKOOEFLSA-N 481.621 5.553 50 10 JKGE CCc1ccc(N2C(=O)[C@H](Cc3ccc(C)cc3)S/C2=C(/C#N)C(=O)Nc2ccccc2C)cc1 101244904 LMRKJCBRZOZPMS-IYQUHZLLSA-N 481.621 5.931 50 10 JKGE CCCOc1ccc(-c2nn(-c3ccccc3)cc2/C=C(/C#N)C(=O)N[C@@H](C)c2ccccc2)cc1 102859402 GOSBPXAJLPPVAZ-AEPTXUNZSA-N 476.580 6.112 50 10 JKGE Cc1sc(Br)cc1[C@@H](Br)c1csc(I)c1 118884158 QCZQXHJJBBSIIW-JTQLQIEISA-N 478.012 5.969 50 10 JKGE COc1cc([C@H](Cl)c2ccc(I)cc2)c(OC)cc1Br 134290473 VDERJOCVEHSHFZ-OAHLLOKOSA-N 467.528 5.399 50 10 JKGE COc1ccc([C@H](Br)c2ccc(Br)c(Cl)c2)c(Br)c1 148975185 ONUDRODVKZFEDS-CQSZACIVSA-N 469.398 6.358 50 10 JKGE CCCCOc1cccc(/C=N/NC(=O)c2cc(-c3ccccc3)nc(N3CCCCC3)n2)c1 169927475 HUOSKMIJOPDGJH-VFCFBJKWSA-N 457.578 5.077 50 10 JKGE CCCCOc1ccccc1[C@H]1C(C#N)=C(N)Oc2cc(OC(=O)/C=C\c3ccc(OC)cc3)ccc21 205655771 LUULDDJEPQJEHY-WKAXSWFMSA-N 496.563 5.711 50 10 JKGE CCCCCCN1C(=O)C(C#N)=C(C)/C(=C/c2cn(-c3ccccc3)nc2-c2ccc(OC)cc2)C1=O 214239382 FZBWRQNNWWMCGB-ITYLOYPMSA-N 494.595 5.720 50 10 JKGE CC[C@@H](C)N1C(=O)C(C#N)=C(C)/C(=C/c2cn(-c3ccccc3)nc2-c2ccc(OC)cc2C)C1=O 214258966 RBFSWNLQHMDUDH-MGKUZBKYSA-N 480.568 5.247 50 10 JKGE CC1=C(C#N)C(=O)N(Cc2cccnc2)C(=O)/C1=C\c1cn(-c2ccccc2)nc1-c1ccc(C)cc1 214310531 LTOWPPZYJZDEKT-YSMPRRRNSA-N 485.547 5.035 50 10 JKGE Cc1cc([C@H](Br)c2cc(Br)c(Cl)s2)ccc1Br 227845297 OZJSMEQUVFXRMV-NSHDSACASA-N 459.428 6.719 50 10 JKGE CCO[C@@H]1[C@@H](Cl)C[C@@H]1Oc1c(Br)cc(Br)cc1Br 229346909 FGJKAQBOHULEMO-JBLDHEPKSA-N 463.391 5.138 50 10 JKGE CCC(CC)[C@@H](Br)CNC(=O)c1cc(Br)ccc1Br 230659934 YRQGXDNHJVYXSJ-ZDUSSCGKSA-N 456.016 5.141 50 10 JKGE Cc1cccc([C@@H](Br)c2cc(F)c(Br)cc2F)c1Br 235928093 AQIIMRYKVWKURJ-CQSZACIVSA-N 454.934 6.283 50 10 JKGE Cl[C@H](c1ccc2c(c1)CCCC2)c1cc(Br)ccc1I 236046291 MFVYUVBDKDBQMD-QGZVFWFLSA-N 461.568 6.261 50 10 JKGE Cn1c(SCC(=O)NN=Cc2cc(C(C)(C)C)c(O)c(C(C)(C)C)c2)nc2ccccc21 252628965 TVSAZAJLXAGMGB-UHFFFAOYSA-N 452.624 5.116 50 10 JKGE CC[C@@H]1CCCCN1c1ccc([N+](=O)[O-])cc1C=NNC(=O)COc1cccc2ccccc12 254521054 LPZBLWSVDNXZLF-OAQYLSRUSA-N 460.534 5.046 50 10 JKGE O=C(CNc1cccc(C(F)(F)F)c1)NN=Cc1cn(-c2ccccc2)nc1-c1ccccc1 254600852 LQZUGCMBRAXMQW-UHFFFAOYSA-N 463.463 5.120 50 10 JKGE aggregator CCCCCCCCCCCC(=O)NN=Cc1ccc(OC(=O)c2ccccc2)c(OC)c1 254708971 WSLHJPNFUKEEEH-UHFFFAOYSA-N 452.595 6.285 50 10 JKGE Cc1cc(C=NNC(=O)c2ccc(COc3ccccc3)o2)c(C)n1-c1ccc2ccccc2c1 254758114 LRVPMRJICLDIDJ-UHFFFAOYSA-N 463.537 6.183 50 10 JKGE Cc1cccc(Br)c1[C@H](Cl)c1cc(Br)ccc1Br 311193703 DTPDDQFYMMTDSV-CQSZACIVSA-N 453.399 6.611 50 10 JKGE Cl[C@H](c1cc(Br)cc2c1OCC2)c1sccc1I 311205491 JFWLCJNXHIXIRF-LLVKDONJSA-N 455.542 5.378 50 10 JKGE Brc1cc([C@H](Br)c2cccc3ccsc23)sc1Br 386313197 BLYVEZPVRLNRDX-LLVKDONJSA-N 467.045 6.972 50 10 JKGE C[C@]1(Cn2c(CCl)nc3ccc(F)c(Br)c32)CCCN1Cc1ccccc1 689727309 UOAWYKVNWVVXHD-OAQYLSRUSA-N 450.783 5.731 50 10 JKGE CCC(F)(F)C(C)(C)[C@H](Br)c1cc(Br)c(C)cc1Br 691590307 BIEBRHVADAKWFV-GFCCVEGCSA-N 462.998 7.028 50 10 JKGE C[C@@H](CBr)[C@@H]1CCCCN1C(=O)c1ccc(Br)cc1Br 696714108 RGGUFVXBHBJSSL-HZMBPMFUSA-N 468.027 5.237 50 10 JKGE CC(C)(C)OC(=O)N1CCC2(CC1)Oc1ccccc1[C@@H](Br)[C@@H]2Br 725274577 XJGGDNUPCDAJDG-CABCVRRESA-N 461.194 5.048 50 10 JKGE Cc1ccc(CSCC(=O)NN=Cc2c(Br)c(C)n(-c3cc(C)ccc3C)c2C)cc1 1084185563 HRXWVTXYADMHEX-UHFFFAOYSA-N 498.490 6.165 50 10 JKGE Cc1ccccc1NC(=O)/C(C#N)=C\c1cn(Cc2ccc(Cl)cc2Cl)c2ccccc12 1084188984 GQIGLVJUJLLKNC-UNOMPAQXSA-N 460.364 6.851 50 10 JKGE COc1cc(/C=C(\C#N)C(=O)Nc2cc(C)ccc2C)cc(Br)c1OCc1ccccc1 1084236449 NMOGHKCNJSGAOK-CIAFOILYSA-N 491.385 6.199 50 10 JKGE O=C(C=C(Sc1ccccc1)Sc1ccccc1)NN=C(c1ccccc1)c1cccs1 1084296827 ZPINOKGYNRNUPZ-UHFFFAOYSA-N 472.660 7.043 50 10 JKGE COc1ccc(/C(C#N)=C/c2cccc(OC(=O)c3ccccc3Br)c2)cc1OC 1615067269 SNVPXMSKRZWWBI-LDADJPATSA-N 464.315 5.750 50 10 JKGE CCCCOc1ccc(NC(=O)c2oc3c(c2C)C(=NNC(=O)c2ccoc2C)CCC3)cc1 1772748931 HLFDKGGKKFNZEM-UHFFFAOYSA-N 463.534 5.391 50 10 JKGE CCc1cccc(CC)c1NC(=O)[C@@H](C)Oc1cccnc1NC(=O)Nc1ccc(SC#N)cc1 1858838592 LSWLXGVNPCHMLM-QGZVFWFLSA-N 489.601 5.830 50 10 JKGE Cc1ccccc1/C=C(/C=O)N1CCC2(C=Cc3ccc(OCc4ccccc4)cc3O2)CC1 1859498204 XPOOJPRDMTVWKL-DIBXZPPDSA-N 451.566 6.054 50 10 JKGE CCCOc1cccc([C@@H]2C(C#N)=C(N)Oc3c2c(-c2ccc(OC)cc2)nn3Cc2ccccc2)c1 1865694079 PFQOOYXXSVBGHI-AREMUKBSSA-N 492.579 5.614 50 10 JKGE CCCCOc1ccc([C@H]2C(C#N)=C(N)Oc3c2c(CCC)nn3Cc2ccccc2F)cc1OC 1865697155 OIJRUKWBNWFBTG-VWLOTQADSA-N 490.579 5.429 50 10 JKGE CCCn1nc(C(F)(F)F)c2c1OC(N)=C(C#N)[C@H]2c1cccc(OC)c1OCc1cccc(C)c1 1865706349 ULBNONRKLHVKTF-HXUWFJFHSA-N 498.505 5.426 50 10 JKGE CC[C@@H](C(=O)N[C@H](Cc1ccc(F)cc1)C(=O)Nc1ccc(SC#N)cc1)c1ccc(Cl)cc1 1866951672 UIECDNJZZDVPHY-DNQXCXABSA-N 496.007 5.912 50 10 JKGE COc1ccc2c(c1)CCN(c1cc(Nc3ccc(SC#N)cc3)nc(Cc3ccccc3)n1)[C@@H]2C 1868207361 LOXKXFNVRYWVIN-HXUWFJFHSA-N 493.636 6.516 50 10 JKGE CCCc1nc(Nc2ccc(SC#N)cc2)cc(N2CCc3cc(C)ccc3[C@H]2CC(C)C)n1 1868388079 DZOMBCSVILQWGA-RUZDIDTESA-N 471.674 7.204 50 10 JKGE COc1cccc(-c2nc(Nc3ccc(SC#N)cc3)cc(N3CC(C)(C)c4ccccc43)n2)c1 1868506210 UORHKTLATMTSAO-UHFFFAOYSA-N 479.609 6.898 50 10 JKGE CCn1c(/C(C#N)=C/c2cc(Br)c(OCc3ccccc3)c(OC)c2)nc2ccccc21 1872730946 NGAMJIILCDIHQM-DEDYPNTBSA-N 488.385 6.470 50 10 JKGE CCOc1ccc(/C=C(C(/O)=C(\C#N)c2nc(-c3ccccc3OC)cs2)\c2ccccc2)cc1 1872746952 HDPWZARARISMJU-QYEWKKEISA-N 480.589 7.251 50 10 JKGE Cc1c([N+](=O)[O-])cc(/C(O)=C(\C#N)c2nc(-c3cccc4ccccc34)cs2)cc1[N+](=O)[O-] 1872752125 ODZQNVMLCMDSME-PYCFMQQDSA-N 458.455 6.038 50 10 JKGE COc1c(C)cc(C)cc1-c1csc(/C(C#N)=C(\O)Cc2ccc(Br)cc2)n1 1872754076 BDCSHZXJNQMRRS-ZZEZOPTASA-N 455.377 6.233 50 10 JKGE COc1c(C)cc(C)cc1-c1csc(/C(C#N)=C(\O)CNC(=O)c2ccc(Cl)cc2Cl)n1 1872754933 QIUPJFRSTIPNCD-JZJYNLBNSA-N 488.396 5.965 50 10 JKGE COc1c(Cl)cc(-c2csc(/C(C#N)=C(\O)c3ccc(OC(C)=O)cc3)n2)cc1Cl 1872755955 NLNRZZBMJXCZQV-CYVLTUHYSA-N 461.326 6.001 50 10 JKGE COc1cc(Cl)c(C)cc1-c1csc(/C(C#N)=C(\O)c2cc([N+](=O)[O-])cc([N+](=O)[O-])c2C)n1 1872757133 RRQRLXLEAMRXMZ-HKWRFOASSA-N 486.893 5.855 50 10 JKGE CCOc1cc(/C=C(\C#N)c2nc(-c3ccc(OC)c(C)c3)cs2)ccc1OCc1ccccc1 1872780587 FBSSPPFDIXHRKX-BUVRLJJBSA-N 482.605 7.169 50 10 JKGE COc1cc(/C=C(\C#N)c2nc(-c3ccc(C(C)(C)C)cc3)cs2)cc(Br)c1O 1872792296 QLKISQHLNJRUIS-CXUHLZMHSA-N 469.404 6.648 50 10 JKGE COc1ccc(Cl)cc1-c1csc(/C(C#N)=C/c2cc3c(cc2[N+](=O)[O-])OCCO3)n1 1872794887 BMIZZJOQKLQZSW-AWNIVKPZSA-N 455.879 5.216 50 10 JKGE Cc1c(Br)cc(CCl)cc1S(=O)(=O)N(Cc1ccccc1)Cc1cccs1 1914890911 JUAAVJOJZTZNQG-UHFFFAOYSA-N 484.868 5.949 50 10 JKGE C[C@H](c1cccs1)N(Cc1ccccc1)c1ccc(CBr)cc1Br 1914895837 WGWYUPIWFVYLIT-OAHLLOKOSA-N 465.254 7.173 50 10 JKGE Cc1nsc(Br)c1C(=O)N(Cc1ccccc1)[C@@H](CBr)C1CC1 1915264429 RTJDIYUDZQXCPU-AWEZNQCLSA-N 458.219 5.030 50 10 JKGE Cc1cc(Br)c(C(=O)N(C)C[C@@H](Br)COCc2ccccc2)cc1Cl 1916334556 HVKZVFQZYWJJIQ-OAHLLOKOSA-N 489.635 5.463 50 10 JKGE Brc1cc(Br)c([C@@H](Br)C2Cc3ccccc3C2)s1 1922937250 APVYMEXFBUAZLG-ZDUSSCGKSA-N 451.021 6.124 50 10 JKGE Fc1ccc([C@H](Br)c2c(Cl)sc(Br)c2Cl)c(Br)c1 1925584447 JCDXZSHFBYNCKO-QMMMGPOBSA-N 497.836 7.203 50 10 JKGE C[C@]1(CI)CC[C@H](c2scc(Br)c2Br)O1 1930748758 IXEYSKGHIOOAMJ-GMSGAONNSA-N 465.976 5.318 50 10 JKGE Brc1ccc([C@@H](Br)Cc2ccccc2I)s1 1935654162 SXJUEUZIMSOXIP-VIFPVBQESA-N 471.983 5.794 50 10 JKGE Clc1cc(Br)c([C@H](Cl)c2ccc(Br)cc2Br)s1 1948822493 DUKHXACPDXJGIA-SNVBAGLBSA-N 479.846 7.017 50 10 JKGE C[C@H](C[C@@H](Br)c1c(Br)sc(Br)c1Br)C1CC1 1983717862 ZFKBSBFLFJFLIG-IYSWYEEDSA-N 495.900 6.908 50 10 JKGE F[C@H]([C@@H](Br)c1c(Br)sc(Br)c1Cl)C(F)(F)F 1984583734 GLLXLCKIDKDSJE-ZAFYKAAXSA-N 469.317 6.263 50 10 JKGE CC1(C)CC[C@@H]1[C@@H](Br)c1c(Br)sc(Br)c1Br 1987987002 DUMMYDQZBWIAJE-IYSWYEEDSA-N 495.900 6.908 50 10 JKGE C[C@@H]1OCC[C@@H]1C[C@H](Br)c1c(Br)sc(Br)c1Cl 2019622035 GSNKQHSENOAACH-XVMARJQXSA-N 467.448 6.178 50 10 JKGE Clc1cc([C@H](Br)c2sncc2Br)c(Cl)c(Cl)c1Cl 2028534083 YGBQDXQFGSYPGR-LURJTMIESA-N 470.828 7.004 50 10 JKGE C[C@]1([C@@H](Cl)c2c(Br)sc(Br)c2Br)C[C@@H]1C(F)(F)F 2039188673 UAJMQVJBUMGHBT-PVBTVSRDSA-N 491.392 6.904 50 10 JKGE Clc1cccc(Br)c1[C@@H](Br)Cc1ccncc1Br 2050315944 FGKZMFZHWTUUHU-JTQLQIEISA-N 454.387 5.939 50 10 JKGE CCOc1cc(C=C(C#N)c2nc3ccccc3[nH]2)ccc1OCc1cc([N+](=O)[O-])cc2c1OCOC2 2054785081 UFMROBLMJISEOH-UHFFFAOYSA-N 498.495 5.379 50 10 JKGE Clc1c(Br)sc(Br)c1[C@@H](Br)[C@@H]1C[C@@H]2CC[C@H](C1)O2 2061009332 VTFLXSMSPZADIL-XQXXSGGOSA-N 479.459 6.320 50 10 JKGE Fc1cc(Cn2nc(CCl)c(I)c2C(F)(F)F)ccc1C(F)(F)F 2079210612 WCMNZDHVQOKAQG-UHFFFAOYSA-N 486.556 5.452 50 10 JKGE Clc1ccc([C@H](Cl)c2ccc(Br)cc2I)cc1Cl 2086150001 VLTOJDSAZUCSTH-ZDUSSCGKSA-N 476.366 6.689 50 10 JKGE Brc1ccc(Br)c([C@H](Br)[C@@]23CCCC[C@H]2CCC3)c1 2092627343 NZSDWFOCMVMFSC-KNXALSJPSA-N 451.040 7.008 50 10 JKGE C[C@@H](CBr)[C@H]1CCCCN1C(=O)c1csc(Br)c1Br 2093944937 SIJJFBCRRWUNJV-WCBMZHEXSA-N 474.056 5.299 50 10 JKGE Brc1ccc(C[C@H](Br)c2cc(C3CC3)c(Br)s2)cc1 2094672550 ACEPSCONXSGNFE-ZDUSSCGKSA-N 465.048 6.829 50 10 JKGE CCn1cc([C@@H](Br)c2cc(Br)c(Cl)cc2F)nc1Br 2097839611 VVDXONWSYXLVJL-NSHDSACASA-N 475.381 5.705 50 10 JKGE CCOc1ccc(Br)cc1[C@@H](Br)c1scc(C)c1Br 2100814885 OTHBUBFBWMYWEY-CYBMUJFWSA-N 469.036 6.465 50 10 JKGE Brc1cc([C@H](Br)C2CC3(C2)CC2(CCC2)C3)c(Br)s1 2100919763 GHMFSBPIWWCBSD-GFCCVEGCSA-N 469.080 7.070 50 10 JKGE C[C@@]1([C@H](Br)c2cc(Br)ccc2Br)CCCCC1(F)F 2111656883 MMUQSPRNMAJOMX-OLZOCXBDSA-N 460.982 6.863 50 10 JKGE C[C@H](Cl)c1nc2cc(Cl)c(Br)cc2n1CCCCOCc1ccccc1 2112697686 VZUJQYYUGMIVKR-AWEZNQCLSA-N 456.211 6.749 50 10 JKGE COCc1cc(Br)c([C@H](Br)c2c(Cl)cccc2Br)s1 2113162807 NCCWMHNIGIMNMC-GFCCVEGCSA-N 489.454 6.557 50 10 JKGE Cc1cc(Br)c(C)c([C@H](Br)C(C)(C)C(F)(F)F)c1Br 2136367061 NNBVKSGIKMQPCE-NSHDSACASA-N 466.961 6.853 50 10 JKGE Brc1cccc([C@@H](Br)c2cccc3ccccc23)c1Br 2148754244 ZIZRYWGMOXIUGL-INIZCTEOSA-N 454.987 6.849 50 10 JKGE CN(Cc1nn(C)cc1Br)c1c(CBr)ccc(Br)c1Cl 2154366522 YSHKQDXNIQDHQD-UHFFFAOYSA-N 486.433 5.130 50 10 JKGE O=C(c1c(Br)cccc1Br)N1CC[C@@H](Br)CC12CCC2 2169874870 FSXPFTQMGNOKDA-SNVBAGLBSA-N 466.011 5.134 50 10 JKGE CCn1cc(Br)c([C@@H](Br)c2csc3c(Br)cccc23)n1 2181173321 HHNQWOKULVVLJB-LBPRGKRZSA-N 479.035 6.127 50 10 JKGE Cc1cc(Br)c(C)c([C@H](Br)C2CCC3(CC2)CC3)c1Br 2201062874 QGXUHDMFONWQQO-MRXNPFEDSA-N 465.067 7.235 50 10 JKGE Cc1cc(Br)c(C)c([C@H](Br)C2(C(C)(F)F)CCC2)c1Br 2201073591 MXLYFFNJHPRRLR-ZDUSSCGKSA-N 475.009 7.090 50 10 JKGE CCN(C[C@](C)(CI)OCC1(C)CC(C)(C)C1)C(=O)OC(C)(C)C 2215317046 QEELJDRYMDCETJ-IBGZPJMESA-N 453.405 5.280 50 10 JKGE CC(C)(CC(F)F)[C@@H](Br)c1cc(Br)c(Br)cc1F 2218596845 IEBVZMQVYLQOEK-NSHDSACASA-N 452.934 6.468 50 10 JKGE Fc1cc(F)c([C@@H](Br)c2cscc2OCc2ccccc2)c(F)c1Br 2220496039 HITUILNUPXRKCE-INIZCTEOSA-N 492.154 6.991 50 10 JKGE CCCCCCC[C@@H](Br)c1c(Br)cc(Cl)c(Cl)c1Cl 2224302966 QMPGVGZKESFVSA-SECBINFHSA-N 451.457 8.206 50 10 JKGE Fc1cc(Br)cc2c1nc(CCl)n2C[C@H]1CC1(Br)Br 2224800324 GQRBWBSJYZHODR-ZCFIWIBFSA-N 475.381 5.183 50 10 JKGE Fc1cc(Br)c(Br)cc1[C@H](Br)Cc1ccc(Cl)cc1 2225615866 AFFXDFMQESMHQV-LLVKDONJSA-N 471.389 6.683 50 10 JKGE CCc1nn(C)c([C@H](Cl)c2c(Br)sc(Br)c2Cl)c1Cl 2232174540 ZWDPRFREQVREDO-SSDOTTSWSA-N 467.441 6.204 50 10 JKGE Brc1cccc([C@@H](Br)Cc2cc(Br)nn2CC2CC2)c1 2233308983 WTIQCDWSXDGHNG-AWEZNQCLSA-N 463.011 5.497 50 10 JKGE Cc1cc([C@H](Br)c2cc(Br)c(Br)cc2F)cc(C)c1F 2233975132 IPKAPZVSUIXRSP-AWEZNQCLSA-N 468.961 6.591 50 10 JKGE Fc1cc(Br)c(Br)cc1[C@@H](Br)c1c(F)ccc(F)c1F 2233992831 SKNNNPYUELXCNK-GFCCVEGCSA-N 476.887 6.252 50 10 JKGE COc1ccc([C@H](Br)c2ccoc2Br)cc1I 2248886766 GUEQXAXNWQRTTP-NSHDSACASA-N 471.914 5.140 50 10 JKGE Fc1cccc(I)c1[C@@H](Br)Cc1cccc(Br)c1 2255894890 GIUNIMGKWWTEID-NSHDSACASA-N 483.944 5.872 50 10 JKGE Cc1sc([C@@H](Br)c2cccc(Cl)c2Br)c(C)c1Br 2256125323 LDRSVGFNUGRQBS-LBPRGKRZSA-N 473.455 7.028 50 10 JKGE COc1ccc([C@H](Br)c2cc(Br)co2)c(OC)c1Br 2270488924 HCKWXFHHSDYFKS-NSHDSACASA-N 454.940 5.306 50 10 JKGE Brc1cc2sc([C@@H](Br)c3cc4sccc4s3)cc2s1 2278101202 NCBCHRIVMBIRPR-ZDUSSCGKSA-N 450.267 7.486 50 10 JKGE COc1ccc([C@@H](Br)Cc2c(Cl)cccc2Cl)cc1I 2285011171 SSCCOBXZFSWEFC-NSHDSACASA-N 485.974 6.285 50 10 JKGE COc1c(Br)cc([C@H](Br)c2sncc2Br)c(OC)c1C 2295424939 ACYQAZZNMXGSGT-JTQLQIEISA-N 486.023 5.478 50 10 JKGE CCCCOc1ccc(-c2nn(-c3ccccc3)cc2C=C(C#N)c2nc3ccccc3n2C)cc1F 2295838623 VILVBXNYDHVSJZ-UHFFFAOYSA-N 491.570 6.808 50 10 JKGE COc1ccc(-c2csc(C(C#N)=Cc3ccccc3OCc3ccccc3)n2)cc1OC 2296801514 MYKBIOPAOJOLOA-UHFFFAOYSA-N 454.551 6.470 50 10 JKGE Brc1ccc(OCc2ccccc2)c([C@@H](Br)C2CC3(CCC3)C2)c1 2299502480 XEJIDXNQRXRCDX-FQEVSTJZSA-N 450.214 7.044 50 10 JKGE Brc1cc(OCc2ccccc2)ccc1[C@@H](Br)[C@@H]1CCCC12CC2 2299535836 TUJBVTCCJSYWNE-AZUAARDMSA-N 450.214 7.044 50 10 JKGE N#CC(=Cc1ccccc1OCc1ccc(Cl)cc1Cl)C(=O)N1CCN(c2ccccc2)CC1 2313545721 APXXUOAMYOMBRI-UHFFFAOYSA-N 492.406 5.828 50 10 JKGE Brc1cc(OCc2ccccc2)ccc1[C@@H](Br)[C@@H]1[C@H]2CCCCC[C@H]21 2314438986 DEXJZOXCZBBYLW-JZZBYWGLSA-N 464.241 7.290 50 10 JKGE Brc1ccc(OCc2ccccc2)c([C@@H](Br)C2CCCCCCC2)c1 2314448649 JKZRRRVIPCPLDT-QFIPXVFZSA-N 466.257 7.825 50 10 JKGE Clc1cccc(C[C@@H](Br)c2cc(Br)ccc2OCc2ccccc2)c1 2314448710 JZPAZBVVBJCGME-HXUWFJFHSA-N 480.627 7.360 50 10 JKGE N#CC(=Cc1ccc(-c2cccc(Cl)c2Cl)o1)C(=O)Nc1ccc(Cl)cc1Cl 2314571875 NSAHCFGLAUYAON-UHFFFAOYSA-N 452.124 7.106 50 10 JKGE CCOc1ccc(N2C(=O)[C@@H](Cc3ccccc3C)SC2=C(C#N)C(=O)Nc2ccccc2C)cc1 2314592053 KVNNZCYLCFUKDM-AREMUKBSSA-N 497.620 5.767 50 10 JKGE COc1ccc(N2C(=O)[C@H](Cc3ccccc3C)SC2=C(C#N)C(=O)N[C@H](C)c2ccccc2)cc1 2314593791 SWOAEVLIVNZHFZ-IBVKSMDESA-N 497.620 5.307 50 10 JKGE COc1ccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)C=Cc4ccc(Cl)cc4Cl)ccc32)cc1 2314634224 HDXNGJSMRHNOKP-RUZDIDTESA-N 493.346 5.839 50 10 JKGE COc1cc(C=C(C#N)C(=O)NCc2ccco2)ccc1OC(=O)CCc1ccc(C(C)C)cc1 2314790259 XJFTWONFMHHAJH-UHFFFAOYSA-N 472.541 5.173 50 10 JKGE COc1ccc(C(C#N)=Cc2cccc(OC(=O)c3ccc(Br)cc3)c2)cc1OC 2320511396 SLRRTVILWPTFNU-UHFFFAOYSA-N 464.315 5.750 50 10 JKGE Cc1ccc(C=C(C#N)C(=O)Nc2cccc(Nc3ncnc4ccc(Br)cc34)c2)cc1 2329629420 MMKVUBRLLUBSHP-UHFFFAOYSA-N 484.357 5.990 50 10 JKGE CC(C)(C)c1ccc(OCCCC(O)=C(C#N)c2nc(-c3ccc(F)cc3F)cs2)cc1 2331292894 SHLHBFRLSSUOJM-UHFFFAOYSA-N 454.542 7.038 50 10 JKGE CCOc1ccc(-c2csc(C(C#N)=C(O)[C@@H]3CC(=O)N(c4c(CC)cccc4CC)C3)n2)cc1 2331305618 ZBCAEELSIMBEHH-OAQYLSRUSA-N 487.625 6.179 50 10 JKGE Cc1ccc(-c2csc(C(C#N)=C(O)CN3C(=O)COc4ccc(Cl)cc43)n2)c(C)c1 2331311275 KTKGDOWDJNQAMU-UHFFFAOYSA-N 451.935 5.299 50 10 JKGE CCc1cccc(CC)c1N1C[C@H](C(O)=C(C#N)c2nc(-c3ccc(F)c(C)c3)cs2)CC1=O 2331320584 IFVHKGWSSZTELX-HXUWFJFHSA-N 475.589 6.228 50 10 JKGE CCOc1cc(C(O)=C(C#N)c2nc(-c3ccc4c(c3)OCCO4)cs2)cc(OCC)c1OCC 2331329966 DGWUCQCAMJNZLL-UHFFFAOYSA-N 494.569 5.727 50 10 JKGE CCCCCCOc1ccc(C(O)=C(C#N)c2nc(-c3cc(Cl)ccc3Cl)cs2)cc1 2331403730 CGTUJTLUJRTRMR-UHFFFAOYSA-N 473.425 8.026 50 10 JKGE Cc1ccc(OCC(O)=C(C#N)c2nc(-c3cc(Cl)ccc3Cl)cs2)c(C(C)(C)C)c1 2331404714 ZSKDKCDKQPPZKJ-UHFFFAOYSA-N 473.425 7.595 50 10 JKGE CCCOc1cccc(C=C(C#N)c2nc(-c3ccc(OCCC)c(OCCC)c3)cs2)c1 2331437807 GHSAZVVFZBWILQ-UHFFFAOYSA-N 462.615 7.241 50 10 JKGE CCCCCCCOc1ccc(-c2csc(C(C#N)=Cc3ccc(O)c(OCC)c3)n2)cc1 2331459794 XYCGYNKSMFEBNX-UHFFFAOYSA-N 462.615 7.328 50 10 JKGE Fc1cc(Br)c(F)c(Br)c1[C@@H](Br)C[C@@H]1CC[C@@H]2C[C@H]12 2334720097 QASPEBGGAFACDA-XGEHTFHBSA-N 458.966 6.362 50 10 JKGE Cn1cc([C@@H](Cl)c2c(F)cc(Cl)c(Br)c2Cl)c(Br)n1 2335293082 DNTMMBMXDKHOPX-SECBINFHSA-N 451.348 5.719 50 10 JKGE FC1(F)[C@H]2C[C@@H]([C@H](Br)c3cc(Br)ccc3OCc3ccccc3)CC[C@H]21 2336055607 BBDONBQTPIAMCS-MKNHVETJSA-N 486.194 7.146 50 10 JKGE C[C@H]1[C@@H](Br)C[C@H]2CC[C@H]1N2Cc1ccc(Cl)c(I)c1 2337222864 DUADLKAWOSLALG-XDYICZGBSA-N 454.577 5.081 50 10 JKGE Cc1cc(Cl)c([C@H](Br)c2c(Br)c(Br)nn2C)cc1Cl 2338861100 PFXWEWHCRALOIN-VIFPVBQESA-N 491.836 6.045 50 10 JKGE CC(C)[C@@H](Br)C(C)(C)NC(=O)c1c(Br)cccc1Br 2340524659 ANNYVAYGRHTUDN-GFCCVEGCSA-N 456.016 5.140 50 10 JKGE Cc1c(Br)ccc([C@H](Br)[C@H]2CC[C@@H]2C(C)(C)C)c1Br 2343073392 SYFRSWQTUDEDED-ITDIGPHOSA-N 453.056 7.028 50 10 JKGE Brc1ccc(Br)c([C@@H](Br)[C@H]2C[C@@H]3CCCCCC[C@@H]32)c1 2354878336 UFMIVIZERMUWME-MJFSBKNWSA-N 465.067 7.254 50 10 JKGE Fc1cc(Cl)c(Br)c(Cl)c1[C@@H](Br)[C@@H]1CCC[C@H]1C(F)F 2360484178 PMWIRWSSFQMVHI-DGAHNEANSA-N 454.939 7.012 50 10 JKGE COc1c(F)c(F)cc([C@@H](Br)c2cc(Cl)c(Br)s2)c1F 2361160967 PINCLFPAFVNIIT-MRVPVSSYSA-N 450.501 6.074 50 10 JKGE FC1(F)C2(CC2)C12CC([C@H](Cl)c1ccc(OCc3ccccc3)cc1Br)C2 2361172385 OPPABZZYEFLJDI-RNFHDMOYSA-N 453.754 7.134 50 10 JKGE Brc1cc2c(cc1[C@@H](Br)c1cnsc1Br)OCCCO2 2362496243 HINNXQSXLDNOPI-GFCCVEGCSA-N 484.007 5.314 50 10 JKGE Cc1ccc(Br)c([C@H](Cl)c2c(C)cc(Br)c(F)c2Br)c1 2365175023 CCHAXLWEGUDFQV-AWEZNQCLSA-N 485.416 7.058 50 10 JKGE Clc1ccc(I)cc1CN1C[C@H]2CCCC[C@]2(CBr)C1 2380531732 TWHKKQUGAKREKJ-CJNGLKHVSA-N 468.604 5.332 50 10 JKGE CC[C@@H](Nc1ccc(Br)cc1)C(=O)N/N=C/c1cccc(Oc2ccccc2)c1 1947168 SVPHIYXDVBPJSQ-NJRDNMGOSA-N 452.352 5.582 50 10 JKGE O=C(NC1CCCCC1)[C@@H](c1cccc(Br)c1)N(CCc1ccccc1)C(=O)CCl 3040250 YKJCEVAALQWCCU-HSZRJFAPSA-N 491.857 5.249 50 10 JKGE Cc1cc(/C=C(\C#N)C(=O)Nc2cccc(Br)c2)c(C)n1-c1cc(C(=O)O)ccc1Cl 4619509 SYUNRQYLTICOGO-RQZCQDPDSA-N 498.764 5.754 50 10 JKGE COc1ccc2nc(N(/N=C/c3cc(OC)c(OC)c(OC)c3)C(=O)C3CCCCC3)sc2c1 9629077 UAMBKMJGTCMFNU-CVKSISIWSA-N 483.590 5.278 50 10 JKGE CC(C)(C)c1ccc(OCC(=O)NNC(=O)c2sc3ccccc3c2Cl)c(C(C)(C)C)c1 14661660 HUFCVQONKBXKGY-UHFFFAOYSA-N 473.038 5.990 50 10 JKGE CC[C@H]1CCc2sc(C(=O)NN/C=C3\C(=O)N(c4ccc(C)cc4)C(=O)c4ccccc43)cc2C1 18153848 KTRYOSUEEYONML-PAJXCOJRSA-N 485.609 5.034 50 10 JKGE COc1ccccc1[C@H]1C(C#N)=C(N)Oc2cc(OC(=O)[C@H](C)Oc3ccc(C(C)C)cc3)ccc21 38650081 CGRBEIUEAMXSSU-XRHLQHRESA-N 484.552 5.410 50 10 JKGE CCCCOc1ccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)COc4ccc(CC)cc4)ccc32)cc1 38650861 YCLHBXQCJVHXIT-GDLZYMKVSA-N 498.579 5.630 50 10 JKGE C[C@@H](Oc1ccccc1F)C(=O)Oc1ccc2c(c1)OC(N)=C(C#N)[C@H]2c1ccccc1Cl 38651044 CGZJOPNYAWHAQP-FATZIPQQSA-N 464.880 5.070 50 10 JKGE Cc1ccc(C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@H]3c2ccc(Br)cc2)cc1 38651566 CXVRIWWDBLZCFJ-QFIPXVFZSA-N 461.315 5.195 50 10 JKGE N#CC1=C(N)Oc2cc(OC(=O)c3ccc(Br)cc3)ccc2[C@@H]1c1cccc(F)c1 38677787 FLXSFQPZYZDKFG-NRFANRHFSA-N 465.278 5.026 50 10 JKGE CCCOc1ccccc1[C@@H]1C(C#N)=C(N)Oc2cc(OC(=O)COc3cccc(Cl)c3)ccc21 38681897 FBYRAYOEHUXXCH-SANMLTNESA-N 490.943 5.331 50 10 JKGE COc1ccc(OC)c(NC(=O)c2oc3c(c2C)/C(=N/NC(=O)c2cccc4ccccc24)CCC3)c1 40813530 KQTMMHGQQBILMP-DFKUXCBWSA-N 497.551 5.481 50 10 JKGE Cc1c(C(=O)NCc2ccccc2)oc2c1/C(=N/NC(=O)c1cccc3ccccc13)CCC2 40813569 SHSNOGVKNZWCGU-JJKYIXSRSA-N 451.526 5.142 50 10 JKGE CC(C)(c1ccccc1)c1ccc(OCC(=O)N/N=C/c2cc(Br)ccc2O)cc1 40866556 CWIQPGBEMLJKFR-CVKSISIWSA-N 467.363 5.010 50 10 JKGE Cc1ccc(Cl)cc1NC(=O)/C(C#N)=C\c1cn(CC(=O)Nc2ccc(F)cc2)c2ccccc12 96476341 IGMGUJVIIYLLBQ-PDGQHHTCSA-N 486.934 5.927 50 10 JKGE CCc1cccc(C)c1N/C(SCc1ccc(C)cc1)=C(\C#N)S(=O)(=O)c1ccccc1 104689346 YNDIHFAMSHGIQX-LCUIJRPUSA-N 462.640 6.378 50 10 JKGE CC1=CC(C)(C)N(C(=O)CCl)c2ccc([C@]3(C)CC(C)(C)N(C(=O)CCl)c4ccccc43)cc21 105628377 ZLYJDDBQVDSXKE-NDEPHWFRSA-N 499.482 6.514 50 10 JKGE Fc1cc(Cl)ccc1[C@H](Br)c1cc(Br)ccc1Br 109844564 PIEDMESSACJYRD-ZDUSSCGKSA-N 457.362 6.488 50 10 JKGE Brc1ccc(C[C@H](Br)c2ccccc2I)cc1 110296819 DVOPLLOYUQZRMQ-ZDUSSCGKSA-N 465.954 5.732 50 10 JKGE Fc1cc([C@@H](Br)c2c(F)cc(Br)cc2F)c(F)cc1Br 127660458 NNHOYXFGUODNRM-CYBMUJFWSA-N 476.887 6.252 50 10 JKGE Clc1cc([C@@H](Cl)c2cc(Br)c(Br)s2)ccc1Br 148990061 DMSUTDNFBFFTDB-SNVBAGLBSA-N 479.846 7.017 50 10 JKGE COc1cc(Cl)c([C@H](Cl)c2cc(Br)ccc2Br)cc1OC 161070921 RWUFZMQNZHUHMW-OAHLLOKOSA-N 454.973 6.210 50 10 JKGE CC1(C)C[C@@H](N=C=O)C[C@@](C)(CNC(=O)N2CCC(c3cc4cc(Cl)ccc4[nH]3)CC2)C1 170290658 POYAGCHNGFNGJU-CJFMBICVSA-N 457.018 5.631 50 10 JKGE N#C/C(=C/Nc1cc(C(F)(F)F)cc(C(F)(F)F)c1)C(=O)Nc1ccc(Oc2ccccc2)cc1 217211599 JFUMVMOEGJKRDY-PFONDFGASA-N 491.391 6.975 50 10 JKGE Brc1cc([C@H](Br)[C@@H]2CCc3ccccc3C2)c(Br)s1 223608696 BECSVVAIAYDEOU-BXUZGUMPSA-N 465.048 6.514 50 10 JKGE Br[C@@H]1CC[C@@H](c2ccccc2)C[C@@H]1Cc1ccc(I)cc1 227656928 DAAXAJYIQUGFHF-ZIFCJYIRSA-N 455.177 6.181 50 10 JKGE Fc1ccc([C@@H](Br)c2cc(Br)c(Cl)s2)cc1C(F)(F)F 227848591 PWWPAZFLTQIYLV-SNVBAGLBSA-N 452.492 6.806 50 10 JKGE CCOc1ccc([C@@H](Br)c2cc(F)ccc2Br)cc1Br 228992780 SWSABLDLXNOEFS-OAHLLOKOSA-N 466.970 6.234 50 10 JKGE CC(C)(C)C[C@@H](Br)CNC(=O)c1ccc(Br)cc1Br 232494794 XOUMUQNRRMHGFW-SNVBAGLBSA-N 456.016 5.141 50 10 JKGE CC(C)(C)c1ccc([C@H](Br)c2cc(Br)cc(Br)c2)cc1 232511932 MWFXYJUCYDLTSU-INIZCTEOSA-N 461.035 6.993 50 10 JKGE Fc1cccc(Cl)c1C[C@H](Cl)c1cc(Br)ccc1I 236144343 FWXQVRHAYFTOTO-LBPRGKRZSA-N 473.938 6.369 50 10 JKGE Fc1cc(F)c([C@@H](Br)c2cc(Cl)ccc2I)cc1F 236225592 XHGRFZWHVJKDTG-CYBMUJFWSA-N 461.446 5.846 50 10 JKGE O=C(C=C(Sc1ccccc1)Sc1ccccc1)N/N=C/c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1 253563239 FEYSGZBZVXKTEW-HZHRSRAPSA-N 480.527 5.379 50 10 JKGE O=C(NC[C@@H]1CCC[C@@H](CBr)C1)c1cc(Br)cc(Br)c1 312302678 OBGSCZXVFUOLDG-GHMZBOCLSA-N 468.027 5.143 50 10 JKGE Brc1cc([C@@H](Br)c2csc3c(Br)cccc23)co1 378924621 RFGJYTFOBVNDDY-GFCCVEGCSA-N 450.977 6.504 50 10 JKGE Cc1cc(C)c([C@H](Cl)c2cnn(C)c2I)c(C)c1Br 381948611 VYCDIXLPIIDNCW-CYBMUJFWSA-N 453.549 5.041 50 10 JKGE CC(C)(C)OC(=O)N1C[C@@H](CI)[C@H](c2cc(Cl)cc(Cl)c2O)C1 382727106 RDLPWMADKAPYID-BXKDBHETSA-N 472.150 5.085 50 10 JKGE Cc1cc(Br)c([C@H](Br)[C@@H]2CC3CCC2CC3)cc1Br 388943955 AEEWWDTUEPYSTK-CUJYKCCASA-N 451.040 6.782 50 10 JKGE Fc1cc([C@H](Cl)c2cc(I)ccc2Br)c(F)c(F)c1F 395578362 TVPLSPGNPQGZSU-SNVBAGLBSA-N 479.436 5.938 50 10 JKGE C[C@@H]1C[C@H](n2c(CCCl)nc3cc(F)c(Br)cc32)CN1Cc1ccccc1 398233114 XQYMFZSZCUYYHE-ZBFHGGJFSA-N 450.783 5.555 50 10 JKGE Clc1cc([C@H](Br)c2cscc2Br)c(Cl)c(Cl)c1Cl 404804325 MCSOOGAIZHODDR-QMMMGPOBSA-N 469.840 7.609 50 10 JKGE CO[C@H]1CCC[C@H](C(CBr)(CBr)c2ccccc2Br)C1 686323293 MJJHNLWBMWVKKK-STQMWFEESA-N 469.055 5.682 50 10 JKGE COCc1cc(Br)c([C@@H](Br)c2cccc(Br)c2F)s1 688143383 FRIIIQKBAZOTGM-NSHDSACASA-N 472.999 6.043 50 10 JKGE Cc1ccc(Br)cc1COc1c(Br)cc(Cl)cc1CBr 708155729 FCEQKOXDZALDQI-UHFFFAOYSA-N 483.425 6.647 50 10 JKGE CN(Cc1ccccc1)CC1CCN(c2ccc(CBr)cc2Br)CC1 717581762 YMJJQSFCCAQCBY-UHFFFAOYSA-N 466.261 5.692 50 10 JKGE CC1(C)[C@H](OCc2ccccc2)C[C@H]1n1c(CCl)nc2cc(I)c(F)cc21 718077619 KUVIHFOMIHVUFX-RTBURBONSA-N 498.767 6.075 50 10 JKGE Brc1cc([C@@H](Br)c2ccccc2)ccc1I 721583342 BFGLKHSCOSKNOE-ZDUSSCGKSA-N 451.927 5.538 50 10 JKGE Cc1ccc(CSCC(=O)NN=Cc2c(Br)c(C)n(-c3c(C)cccc3C)c2C)cc1 1084197654 OBCGAODPKGPRPS-UHFFFAOYSA-N 498.490 6.165 50 10 JKGE Cc1ccc(-c2ccccc2)n1-c1ccc(C(=O)NN=Cc2ccc(-c3ccc([N+](=O)[O-])cc3)o2)cc1 1084285199 SVLOTENLJKFCQO-UHFFFAOYSA-N 490.519 6.385 50 10 JKGE Cc1cc(C=NNC(=O)C(=O)Nc2ccc(C(C)C)cc2)c(C)n1-c1cccc(Br)c1 1084421007 PSLTWRDTGMGMPT-UHFFFAOYSA-N 481.394 5.069 50 10 JKGE CCOc1cc(/C=C(\C#N)C(=O)NCc2ccc(OC)cc2)ccc1OCc1ccc(C)cc1 1084447119 PDSQUYXLJCZIDM-BUVRLJJBSA-N 456.542 5.205 50 10 JKGE CCCCCCCCCCCC[C@H](CCCI)CCCCCCCCCC 1772502286 OBUICBAVGZFGOA-AREMUKBSSA-N 492.614 10.660 50 10 JKGE Cc1c(C(=O)NN(c2ccccc2)c2ccccc2)oc2c1C(=NNC(=O)c1ccco1)CCC2 1772746985 JYOGJYNZCWBMMD-UHFFFAOYSA-N 468.513 5.135 50 10 JKGE Cc1c(C(=O)Nc2cccc(Cl)c2)oc2c1C(=NNC(=O)c1ccc(-c3ccccc3)cc1)CCC2 1772747791 QZNRAQHSPUIDSA-UHFFFAOYSA-N 497.982 6.631 50 10 JKGE COc1ccc(-c2nn(-c3ccc(Cl)cc3)c3c2[C@H](c2ccccc2F)C(C#N)=C(N)O3)cc1 1865683538 MDYQHWWRIZTPGV-JOCHJYFZSA-N 472.907 5.559 50 10 JKGE N#CC1=C(N)Oc2c(c(C(F)(F)F)nn2Cc2cccc(Cl)c2)[C@H]1c1ccccc1Cl 1865685946 PKFBBDHPHHGZLO-INIZCTEOSA-N 465.262 5.475 50 10 JKGE CCCOc1ccc([C@@H]2C(C#N)=C(N)Oc3c2c(-c2ccccc2)nn3CCC)cc1OCC 1865691296 OXCCAJFZVRLTGY-HSZRJFAPSA-N 458.562 5.366 50 10 JKGE CCCc1nn(CC(C)C)c2c1[C@H](c1ccc(OCc3ccc(C)cc3)c(OC)c1)C(C#N)=C(N)O2 1865695066 IWIKJYOOGCDUMU-AREMUKBSSA-N 486.616 5.606 50 10 JKGE CCCc1nn(Cc2ccccc2Cl)c2c1[C@H](c1ccc(N(CC)CC)cc1)C(C#N)=C(N)O2 1865702273 REAGYTUJJKMMBI-XMMPIXPASA-N 476.024 5.602 50 10 JKGE CCCc1nn(-c2cccc3ccccc23)c2c1[C@H](c1ccc(OC)cc1OC)C(C#N)=C(N)O2 1865708046 MQMQXXDBWZYUDL-RUZDIDTESA-N 466.541 5.213 50 10 JKGE CC[C@@](C)(NC(=O)[C@@H](c1ccc(C(C)C)cc1)C(C)C)C(=O)Nc1ccc(SC#N)cc1 1866960328 FMOKUSAGCBRHEA-ZEQKJWHPSA-N 451.636 6.046 50 10 JKGE CCCC[C@@H](NC(=O)CCc1csc(-c2ccncc2)n1)C(=O)Nc1ccc(SC#N)cc1 1867064671 ZMWUEYZOPPVZHL-OAQYLSRUSA-N 479.631 5.025 50 10 JKGE Cc1c(/C(O)=C(\C#N)c2nc(-c3cccc(Br)c3)cs2)cc([N+](=O)[O-])cc1[N+](=O)[O-] 1872747313 WZUOEJQQXPWOIE-SDXDJHTJSA-N 487.291 5.647 50 10 JKGE CCCOc1ccc(-c2csc(/C(C#N)=C(\O)c3cc([N+](=O)[O-])cc([N+](=O)[O-])c3)n2)cc1 1872749791 IMSQONSVOHWORQ-ZZEZOPTASA-N 452.448 5.365 50 10 JKGE CCCCCCCOc1ccc(-c2csc(/C(C#N)=C(\O)c3ccc(Cl)nc3)n2)cc1 1872753122 ICMBHDXKLWUUGC-ATJXCDBQSA-N 453.995 7.158 50 10 JKGE CCOc1ccc(OCC)c(-c2csc(/C(C#N)=C(\O)Cc3cc(Cl)ccc3Cl)n2)c1 1872755128 ZHIQLLNAJMFYEY-UZYVYHOESA-N 475.397 6.950 50 10 JKGE COc1cc(/C(O)=C(\C#N)c2nc(-c3cc(Cl)c(OC)c(Cl)c3)cs2)cc(OC)c1OC 1872756174 SXLXJUKEBPHRSL-UYRXBGFRSA-N 493.368 6.101 50 10 JKGE N#C/C(=C(/O)CCCN1C(=O)c2ccccc2C1=O)c1nc(-c2ccc3ccccc3c2)cs1 1873940631 AEISHNPGXQPGKH-GYHWCHFESA-N 465.534 5.832 50 10 JKGE C[C@@H](CBr)N(Cc1ccccc1)Cc1sccc1I 1888204314 ZUNUVYIBSBLBLM-LBPRGKRZSA-N 450.183 5.138 50 10 JKGE Cc1scc([C@@H](Cl)c2sc(Cl)cc2I)c1Br 1902876293 MCBSKLJAWOYIFK-SECBINFHSA-N 468.006 6.467 50 10 JKGE COCC(C)(C)N(Cc1ccccc1)S(=O)(=O)c1cc(CCl)c(Cl)cc1Cl 1915488236 WOBAQRSGZPVEAW-UHFFFAOYSA-N 450.815 5.348 50 10 JKGE O=S(=O)(c1cc(Cl)ccc1Cl)N(Cc1ccccc1)C1(CBr)CCC1 1915751044 NMGYLJPPWFKALY-UHFFFAOYSA-N 463.224 5.502 50 10 JKGE O=C(c1ccc(Br)cc1Br)N(Cc1ccccc1)C1(CCl)CCC1 1915768169 IRFKFZRVLCIJGH-UHFFFAOYSA-N 471.620 6.016 50 10 JKGE Cc1cc(F)ccc1[C@@H](Br)c1c(Br)sc(Br)c1Cl 1923040527 VFUDBLLKLQDWLW-SECBINFHSA-N 477.418 6.858 50 10 JKGE Clc1ccc(Br)cc1[C@H](Br)Cc1ccncc1Br 1924052330 MDVGPBPPOVCLSE-LLVKDONJSA-N 454.387 5.939 50 10 JKGE Brc1sc(Br)c([C@@H](Br)[C@@H]2CCCOC2)c1Br 1924580364 QZIIAAYHCCUVKE-VDTYLAMSSA-N 497.872 5.898 50 10 JKGE Cl[C@@H](c1c(Br)sc(Br)c1Br)C1(c2ccccc2)CC1 1924596015 HWXPRMPNXKPEJY-NSHDSACASA-N 485.466 7.047 50 10 JKGE C[C@@]1(CI)CC[C@@H](c2scc(Br)c2Br)O1 1930748761 IXEYSKGHIOOAMJ-XVKPBYJWSA-N 465.976 5.318 50 10 JKGE CC(C)C(F)(F)[C@@H](Cl)c1c(Br)sc(Br)c1Br 1986773427 PZGQMISAJGQBFP-LURJTMIESA-N 461.391 6.607 50 10 JKGE C[C@@]1(CBr)CC[C@@H](c2ccc(OCc3ccccc3)c(OCc3ccccc3)c2)O1 1989167947 XZQNFUNFZUUSKV-OZXSUGGESA-N 467.403 6.850 50 10 JKGE Brc1ccc([C@@H](Br)c2coc(Br)c2)c(Br)c1 1994123299 XTPPCVAMVURGIY-NSHDSACASA-N 473.784 6.051 50 10 JKGE C[C@]1(C(F)F)C[C@H]1[C@@H](Cl)c1c(Br)sc(Br)c1Br 2008185065 AMLVMLNMEFQQMR-XQKIPNJGSA-N 473.402 6.607 50 10 JKGE Cl[C@H](c1c(Br)sc(Br)c1Br)[C@@H]1C[C@@H]1C1CCC1 2022288928 FPHPPFGFPWWQLU-XSSZXYGBSA-N 463.460 6.752 50 10 JKGE CN(c1ccc(Br)cc1CBr)[C@H]1CN(Cc2ccccc2)C(C)(C)C1 2037332862 UZVGEBZWUNDMQE-LJQANCHMSA-N 466.261 5.833 50 10 JKGE C[C@H](CCCCCI)NCc1cccc(Br)c1Br 2054170832 OQMNJCWZATWJCL-LLVKDONJSA-N 489.033 5.685 50 10 JKGE Brc1cc([C@H](Br)[C@@H]2C[C@H]2C2CCOCC2)sc1Br 2079393416 QIURCRLRBIBINS-YGOYTEALSA-N 459.041 5.772 50 10 JKGE Cc1cc(Br)c(C)c([C@@H](Br)c2sccc2Cl)c1Br 2081069824 DVLQTOYKFOGMPN-GFCCVEGCSA-N 473.455 7.028 50 10 JKGE CC(C)Cc1ccc([C@@H](Br)c2cccc(F)c2I)s1 2087337852 GWEYZJGFXHSYQN-AWEZNQCLSA-N 453.158 6.175 50 10 JKGE COc1ccc([C@H](Br)c2c(Br)sc(C)c2C)cc1Br 2101003887 PGKZRYLEUPIDJE-ZDUSSCGKSA-N 469.036 6.383 50 10 JKGE C[C@@H](Cl)c1nc2cc(Br)c(Cl)cc2n1C[C@@H]1CCN1Cc1ccccc1 2103808142 SFAAJNMPNIIYHD-HIFRSBDPSA-N 453.211 6.027 50 10 JKGE Brc1cc(Br)c([C@H](Br)[C@@H]2C[C@@H]3CCCCCC[C@H]32)s1 2109834220 NVTPGBABSJCNHU-ICUOPCATSA-N 471.096 7.316 50 10 JKGE Clc1cc(Br)cc(COc2ccc(Br)c(CBr)c2)c1 2110527509 BBLUQRSXXYWFOK-UHFFFAOYSA-N 469.398 6.339 50 10 JKGE Clc1ccc(Br)c(CC[C@@H](Br)c2cccc(Br)c2)c1 2113489357 NXVRXTVZCXYDQN-CQSZACIVSA-N 467.426 6.934 50 10 JKGE Cc1cc(Br)c(CBr)c(N2C[C@H]3CN(Cc4ccccc4)C[C@@]3(C)C2)c1 2116803572 HGRBVZGKSIVOFQ-GCJKJVERSA-N 478.272 5.611 50 10 JKGE COc1ccc([C@H](Br)c2cc(Br)sn2)c(OC)c1Br 2120041301 UQMPGKUTKBODEV-JTQLQIEISA-N 471.996 5.170 50 10 JKGE CC(C)(C)OC(=O)N[C@@H](CBr)Cc1cc(C(F)(F)F)cc(C(F)(F)F)c1 2121677798 IXFAQRYLAMOLRJ-GFCCVEGCSA-N 450.217 5.555 50 10 JKGE CC[C@H](C)N(Cc1ccccc1)S(=O)(=O)c1cc(Cl)cc(CBr)c1OC 2123245560 JFSGGJCGZRLATE-AWEZNQCLSA-N 460.821 5.233 50 10 JKGE Clc1cc(Br)cnc1COc1ccc(Br)c(CBr)c1 2127190759 UBFZGOKKVAQOBN-UHFFFAOYSA-N 470.386 5.734 50 10 JKGE Brc1ccc([C@H](Br)[C@@]23CCCC[C@@H]2CCC3)c(Br)c1 2138862795 HCEYFSKTLWEUBP-XFBWCDHKSA-N 451.040 7.008 50 10 JKGE CN(Cc1ccc(I)c(Cl)c1)C1CCC(CBr)CC1 2142942566 DYSBNPVKKVXROQ-UHFFFAOYSA-N 456.593 5.330 50 10 JKGE Cc1c(Cl)cc([C@H](Br)c2cc(C3CC3)c(Br)s2)cc1Br 2167385616 VNEPYGXEDNUVDL-AWEZNQCLSA-N 499.493 7.597 50 10 JKGE CN(C(=O)c1cc(I)ccc1Br)[C@@H]1CCCCC[C@H]1Cl 2172548899 XGPIPVKGKAEIHL-ZIAGYGMSSA-N 470.576 5.066 50 10 JKGE C[C@@H](c1nscc1Br)N(C)c1cc(Br)cc(F)c1CBr 2186580241 JLIWCDIOTBCJTK-ZETCQYMHSA-N 487.030 5.900 50 10 JKGE CCc1nn(C)c([C@H](Br)[C@H](C)c2ccncc2Br)c1Br 2192373596 JHVMTBZXUYZLBT-PRHODGIISA-N 466.015 5.142 50 10 JKGE COc1cc(F)c([C@@H](Cl)c2cc(Br)cc(Br)c2)cc1Br 2202903079 ZIBCMNUCGIMHEN-AWEZNQCLSA-N 487.388 6.450 50 10 JKGE COc1cc([C@@H](Br)c2ccc(Br)c(C)c2Br)ccc1F 2203683295 CYHADNMTBGOBRC-OAHLLOKOSA-N 466.970 6.152 50 10 JKGE CCCOCC[C@H](Cl)c1sc(Br)c(Br)c1Br 2212197925 KCYKPPUMYAMYFC-LURJTMIESA-N 455.437 6.132 50 10 JKGE Cc1cc(Br)cc([C@@H](Br)c2sc(Br)c(C)c2C)c1 2218788808 FFQLYSDWXFACTJ-GFCCVEGCSA-N 453.037 6.683 50 10 JKGE COc1cc(Br)c([C@@H](Cl)c2csc(I)c2)cc1C 2220441874 CZQISNJMKKBHOJ-ZDUSSCGKSA-N 457.558 5.760 50 10 JKGE O=C(Cc1ccc(Br)cc1Cl)N(Cc1ccccc1)[C@@H](CBr)C1CC1 2221699255 FVZVNQFTTPSHDH-IBGZPJMESA-N 485.647 5.847 50 10 JKGE CC(F)(F)C1([C@H](Br)c2c(Br)cc(Cl)c(Cl)c2Cl)CC1 2224310187 GDEICHTVLJKVAC-SNVBAGLBSA-N 457.367 7.281 50 10 JKGE C[C@H](Cl)c1nc2ccc(Br)cc2n1C[C@H]1CC1(Br)Br 2224806626 QSYKQAOCYOWXJV-JGVFFNPUSA-N 471.418 5.605 50 10 JKGE Cl[C@@H](c1c(Br)sc(Br)c1Br)[C@@H]1C[C@H]2CCC[C@H](C2)C1 2225322488 UGWOHLQJGFLGRG-JDVQERKKSA-N 491.514 7.532 50 10 JKGE Fc1cc(Br)c(Br)cc1[C@@H](Br)[C@H]1CCCCC1(F)F 2225617823 RUJCQOSMDAKKAS-PRHODGIISA-N 464.945 6.612 50 10 JKGE Cc1cc(Br)c([C@H](Br)C2CC(C(C)C)C2)c(C)c1Br 2227346728 FMBAJFIRDBVSFW-ZEPSKSRBSA-N 453.056 6.947 50 10 JKGE Cc1ccc(I)c([C@H](Br)Cc2c(Cl)cccc2Cl)c1 2232235348 VXDKJXAGWYEJDZ-GFCCVEGCSA-N 469.975 6.585 50 10 JKGE FC1(F)CC2(C[C@H]2[C@H](Br)c2c(Br)cc(Cl)c(Cl)c2Cl)C1 2232517579 UMRCVWLYRDSPQA-CDUCUWFYSA-N 469.378 7.281 50 10 JKGE Cc1cc(Br)c([C@H](Br)c2cc3c(cc2Br)OCCO3)s1 2237634405 XRKRQDIBVHJXDX-CYBMUJFWSA-N 483.019 5.837 50 10 JKGE Cc1ccc(Br)c([C@@H](Br)c2ccc3c(c2Br)CCO3)c1 2238076229 IVVLIRFHXZCSBL-INIZCTEOSA-N 460.991 5.939 50 10 JKGE Brc1ccc([C@H](Br)c2ccc([C@@H]3CCOC3)s2)c(Br)c1 2240430700 BASWJJIOGHRQCH-PSLIRLAXSA-N 481.047 6.261 50 10 JKGE Cc1sc([C@@H](Cl)c2ccc(Cl)c(I)c2)c(Br)c1C 2256336471 NMONYIMNCOJKPT-LBPRGKRZSA-N 476.004 6.714 50 10 JKGE N#CC(=C(Cl)c1ccc(I)c(Br)c1)c1cnsc1 2258912163 YNZIIRURMRVQLI-UHFFFAOYSA-N 451.514 5.141 50 10 JKGE Clc1cc([C@@H](Cl)Cc2cc(Br)cc(Br)c2)sc1Br 2263451432 XNRSXLHQKACDFE-VIFPVBQESA-N 493.873 7.212 50 10 JKGE Clc1nsc([C@H](Cl)Cc2cc(Br)cc(Br)c2)c1Cl 2263515986 VVLZOOONTASFCO-MRVPVSSYSA-N 450.410 6.498 50 10 JKGE Cc1cc([C@@H](Cl)c2c(F)cccc2I)c(C)cc1Br 2267660722 RYRDGACMDKYNHY-OAHLLOKOSA-N 453.520 6.138 50 10 JKGE C[C@@H]1C[C@@H](C[C@@H](Br)c2c(F)cc(Br)c(F)c2Br)CO1 2272723319 FHZWPGMAUBSRMF-GJMOJQLCSA-N 462.954 5.741 50 10 JKGE CC1(C)CCC[C@@H]([C@@H](Br)Cc2cc(Br)cc(Br)c2)C1 2277966537 UDVRKKOCAHCDRL-DOMZBBRYSA-N 453.056 6.734 50 10 JKGE Cc1cc(Br)c([C@H](Cl)c2ccc(F)cc2I)c(C)c1F 2279138113 WYDDDFQCZLIETC-CQSZACIVSA-N 471.510 6.277 50 10 JKGE Brc1cccc(Br)c1CN1C[C@H](Br)C[C@@H]2CCCC[C@H]21 2279527988 FIKCTXHCBFNMJE-HWWQOWPSSA-N 466.055 5.740 50 10 JKGE Cc1c(Br)cccc1CO[C@H](CBr)c1ccccc1Br 2283653199 DDTGRQZEOXDHRV-MRXNPFEDSA-N 463.007 6.173 50 10 JKGE C=CCC1(CBr)CCN(Cc2cc(Cl)ccc2I)CC1 2287715777 HOXSKMFELRAKAH-UHFFFAOYSA-N 468.604 5.498 50 10 JKGE CCOc1ccc(C=C(C#N)C(=O)Nc2ncc(Cc3cccc(C(F)(F)F)c3)s2)cc1 2293038466 FCPGJZSWYGVPKF-UHFFFAOYSA-N 457.477 5.697 50 10 JKGE N#CC(=CNc1ccc(Cl)cc1Cl)c1nc(-c2cccc(Br)c2)cs1 2295891415 YPJDANVRWGUWPK-UHFFFAOYSA-N 451.176 6.856 50 10 JKGE Brc1cc(Br)cc(C[C@H](Br)c2ccc3scnc3c2)c1 2296140862 MHHMAYBLBKTANJ-ZDUSSCGKSA-N 476.031 6.500 50 10 JKGE Cc1ccc(C[C@H]2SC(=C(C#N)C(=O)Nc3ccc(C)cc3)N(c3ccc(C)cc3)C2=O)cc1 2296834929 CSDBICFFYGAKAI-RUZDIDTESA-N 467.594 5.677 50 10 JKGE Cl[C@H](c1c(Br)sc(Br)c1Br)[C@@H]1C[C@H]2CC[C@@H]1C2 2298606978 JMQHOTGRXQDVRH-DHCFDGJBSA-N 463.460 6.752 50 10 JKGE Fc1cc(Cl)c(Br)c(Cl)c1[C@H](Br)[C@H]1C[C@@H](Br)C1 2299029818 DZRFULFTIGVGDP-IKMPGZOFSA-N 469.801 6.505 50 10 JKGE Cc1cc([C@@H](Br)c2ccc(OCc3ccccc3)cc2Br)sc1Cl 2299490563 ZNWIVSWAIOFBAE-SFHVURJKSA-N 486.656 7.536 50 10 JKGE Fc1cccc([C@H](Br)c2ccc(OCc3ccccc3)cc2Br)c1 2299529911 HCNVOVBUZZAELY-FQEVSTJZSA-N 450.145 6.652 50 10 JKGE CC1(C)COC[C@@H]1[C@@H](Br)c1cc(Br)ccc1OCc1ccccc1 2299627271 PCISTAQMUBWZBD-MJGOQNOKSA-N 454.202 6.137 50 10 JKGE Clc1ccc(I)cc1CO[C@@H]1CCCC[C@H]1I 2307201273 KTGBZHHXGZHGDB-CHWSQXEVSA-N 476.523 5.207 50 10 JKGE COc1cc(C=C(C#N)C(=O)NCc2cccs2)ccc1OCc1ccc(Cl)c(Cl)c1 2313540529 GFBDXWNUIRFYLI-UHFFFAOYSA-N 473.381 5.866 50 10 JKGE CCOc1cc(C=C(C#N)C(=O)Nc2ccc(Cl)c(Cl)c2)c(Br)cc1OC 2313630669 DKKGEFWHYFTTMC-UHFFFAOYSA-N 470.150 5.709 50 10 JKGE N#CC(=Cc1cn(Cc2ccc(Cl)cc2)c2ccccc12)C(=O)Nc1cccc(C(F)(F)F)c1 2313724593 MEAJEDJWODIFSC-UHFFFAOYSA-N 479.889 6.907 50 10 JKGE N#CC(=Cc1ccc(-c2ccc(Br)cc2)o1)c1nc(-c2cccc3ccccc23)cs1 2314456873 FPQLFJFRMNLJMG-UHFFFAOYSA-N 483.390 8.050 50 10 JKGE C=CCNC(=O)C(C#N)=Cc1cn(-c2ccccc2)nc1-c1cccc(OCc2ccc(C)cc2)c1 2314478219 KCNGZLUFYYQVGY-UHFFFAOYSA-N 474.564 5.636 50 10 JKGE COc1ccc(N2C(=O)[C@H](Cc3cccc(C)c3)SC2=C(C#N)C(=O)Nc2ccccc2)cc1 2314591664 ATCAZDKCNDCXPN-DEOSSOPVSA-N 469.566 5.069 50 10 JKGE COc1ccc(N2C(=O)[C@@H](Cc3cccc(C)c3)SC2=C(C#N)C(=O)Nc2ccc(C)cc2)cc1 2314592230 OKXUVJVMGRGIMV-RUZDIDTESA-N 483.593 5.377 50 10 JKGE CCCCCCCOc1ccc(C=C2C(=O)N(Cc3ccccc3Cl)C(=O)C(C#N)=C2C)cc1 2314620817 VMRHLPYHLLKIJM-UHFFFAOYSA-N 477.004 6.482 50 10 JKGE CCCc1sc(Br)cc1[C@H](Br)c1cn(C)c(Br)n1 2316177571 DNIOABQEMCWYCQ-NSHDSACASA-N 457.029 5.443 50 10 JKGE COc1ccc(C[C@H](Br)c2sc(Cl)cc2I)cc1 2316599841 XCVRXNCERYZYKM-JTQLQIEISA-N 457.558 5.693 50 10 JKGE CC(=Cc1cccc(Cl)c1)C(=O)N[C@H](C(=O)Nc1ccc(SC#N)cc1)c1ccccc1 2330518050 XRWJTKJMMDILEF-QHCPKHFHSA-N 461.974 5.813 50 10 JKGE CC(C)(C)[C@H](C[C@H](Br)c1cc(Br)ccc1OCc1ccccc1)C(F)F 2336055902 DQADOLBODNPILN-MSOLQXFVSA-N 490.226 7.782 50 10 JKGE Cc1cc([C@@H](Br)c2c(Cl)cc(Br)c(F)c2Br)sc1C 2337091840 HSICASYQUOOIFB-LLVKDONJSA-N 491.445 7.167 50 10 JKGE CC(C)(C)C1CC(CBr)(Cc2ccc(Cl)c(I)c2)C1 2337228483 XMFKIJFAKVGPDH-UHFFFAOYSA-N 455.605 6.325 50 10 JKGE Cc1cc(Br)c(F)c(Br)c1[C@H](Br)CC1(C)CCCC1 2339685600 HSEZHGHWPHISSC-LLVKDONJSA-N 457.019 7.066 50 10 JKGE Cl[C@@H]1CC[C@@H]2[C@@H](CCN2Cc2ccc(I)c(Br)c2)C1 2349852883 LUJYJDPPWPCIPC-YWPYICTPSA-N 454.577 5.036 50 10 JKGE FC(F)(F)[C@H]1C[C@H](Br)CCN1Cc1cc(Cl)ccc1I 2361417002 KHTFFOHVGFAMMG-BXKDBHETSA-N 482.509 5.235 50 10 JKGE Brc1cc(Br)cc(O[C@@H]2C[C@@H](Br)[C@@]23CCCC32CC2)c1 2364103404 JDPUXALNSXWSQW-FMKPAKJESA-N 465.023 6.077 50 10 JKGE CN(Cc1c(Br)c(Br)nn1C)c1ccc(Br)cc1CCl 2364334985 BFFFLHVUUWQFLR-UHFFFAOYSA-N 486.433 5.083 50 10 JKGE CO[C@@H]1CCC[C@H]([C@@H](Br)c2c(C)cc(Br)c(F)c2Br)C1 2365178401 JELMVZGKKRPYNC-OPQQBVKSSA-N 473.018 6.300 50 10 JKGE COc1cc([C@@H](Br)c2cc(Cl)c(Cl)c(Cl)c2Cl)sc1Cl 2365836008 MNRSBGKSANJOLT-QMMMGPOBSA-N 455.415 7.508 50 10 JKGE Clc1ccc(CN2CCC[C@@H]3CC[C@@H](Br)C[C@@H]32)c(I)c1 2366725398 NHXFEYHWUHYOAZ-KFNAQCHYSA-N 468.604 5.473 50 10 JKGE Cc1cc([C@H](Br)CCc2cc(Cl)cc(Cl)c2)ccc1I 2366900938 ZTMGASFVZWLZOV-OAHLLOKOSA-N 484.002 6.975 50 10 JKGE Cc1cc(Br)c(C)c([C@H](Br)[C@H]2CC[C@@H]2C(C)(C)C)c1Br 2369230249 OEAIXXLIQQKVPG-MQIPJXDCSA-N 467.083 7.337 50 10 JKGE Cl[C@@H]1CCC[C@H]2CN(Cc3ccc(I)c(Br)c3)CC[C@H]12 2377314027 FAGYEDJHNKSZIK-KCQAQPDRSA-N 468.604 5.283 50 10 JKGE C[C@H](Cl)CN(CCC(C)(C)C)Cc1ccc(I)c(Br)c1 2377315791 KFCDJPAUQDDPDI-LBPRGKRZSA-N 472.636 5.919 50 10 JKGE Cl[C@H]1C[C@H](OCc2ccc(I)c(Br)c2)C12CCCCC2 2377615770 QQTSTKLQPWVDJY-GJZGRUSLSA-N 469.588 5.901 50 10 JKGE Cc1ccc(CBr)c(OCc2nn(C)c(C)c2Br)c1Br 2381138168 SUBZISSLXQKJNB-UHFFFAOYSA-N 466.999 5.036 50 10 JKGE CCOC(=O)c1ccc(-c2ccc(/C=C(/C#N)C(=O)Nc3ccc(Cl)cc3[N+](=O)[O-])o2)cc1 6599945 SAAGHUIJAWUEOL-WJDWOHSUSA-N 465.849 5.231 50 10 JKGE CC[C@H](C)c1ccccc1O[C@@H](C)C(=O)NNC(=O)COc1ccc2ccccc2c1Br 9872298 OXEBFOKTAYHQRU-IRXDYDNUSA-N 499.405 5.110 50 10 JKGE Cc1cc([C@H]2C(C#N)=C(N)N(c3cccnc3)C3=C2C(=O)C[C@H](c2ccccc2)C3)c(C)s1 9981755 FVYWYGDELMFZBO-CLOONOSVSA-N 452.583 5.458 50 10 JKGE C/C(=N\NC(=O)[C@@H]1C[C@@H]1c1ccccc1)c1ccc(NC(=O)c2ccc(Cl)cc2Cl)cc1 20157965 VCWXLGAMONAJQH-OVMNMHALSA-N 466.368 5.890 50 10 JKGE CCCCN(CCCC)Cc1ccc(C(=O)NNC(=S)Nc2ccc(C)c(Cl)c2)o1 20734872 UQINWAQRTZRZDD-UHFFFAOYSA-N 451.036 5.275 50 10 JKGE CC(C)(C)CC(C)(C)c1ccc(OCC(=O)N/N=C\c2ccc(-c3ccc(Cl)cc3)o2)cc1 33154949 MPANQMRJYLCZTP-MWLSYYOVSA-N 467.009 6.843 50 10 JKGE COc1ccccc1/C=C(/C#N)c1nc(-c2cc3cc(Br)ccc3oc2=O)cs1 33246772 AKFWTBSJOPYNBG-NVNXTCNLSA-N 465.328 5.752 50 10 JKGE CCOc1cc(/C=C(/C#N)C(=O)Nc2ccc([N+](=O)[O-])cc2O)ccc1OCc1cccc(Cl)c1 33689953 XTGFLBZZBIVOJL-ZDLGFXPLSA-N 493.903 5.477 50 10 JKGE CCOC(=O)/C(C#N)=C1/S[C@H](Cc2ccc(Cl)cc2Cl)C(=O)N1c1ccc(F)cc1 34890910 VUYGHOZWBJIGGK-RILMWAFASA-N 465.333 5.122 50 10 JKGE CCc1ccc(OCC(=O)N/N=C(/C)c2ccc(-c3ccccc3)cc2)c(Br)c1 35264349 CDMKEXGJZXKFSE-ONUIUJJFSA-N 451.364 5.598 50 10 JKGE Cc1ccc(-c2csc(/C(C#N)=C/c3cc([N+](=O)[O-])ccc3OCC(=O)Nc3ccccc3)n2)cc1 35519562 ZFQIPHYUCZETIY-FYJGNVAPSA-N 496.548 6.108 50 10 JKGE CSc1ccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)Cc4cccc5ccccc45)ccc32)cc1 38682455 RYKZFRBYQBDTDI-MUUNZHRXSA-N 478.573 5.928 50 10 JKGE CCOC(=O)c1c(NC(=O)/C(C#N)=C/c2ccc(OC)c(OC(C)C)c2)sc2c1CCCC2 39885098 HVTKHQBPAHGUIV-SFQUDFHCSA-N 468.575 5.145 50 10 JKGE Cc1ccc(NC(=O)c2oc3c(c2C)/C(=N/NC(=O)c2ccc(Cl)cc2)CCC3)cc1Cl 40811637 SJQNEROZPDUVCD-TURZUDJPSA-N 470.356 5.926 50 10 JKGE Cc1c(C(=O)Nc2cccc(Cl)c2Cl)oc2c1/C(=N/NC(=O)c1ccccc1F)CCC2 40812434 YLUHGLJKXIWSSI-LQKURTRISA-N 474.319 5.757 50 10 JKGE CCOc1cc(/C=C(\C#N)C(=O)NCc2ccco2)ccc1OC(=O)/C=C/c1ccc(C(C)C)cc1 40926674 WWAPHIMCWYSIKI-YSFZPGPYSA-N 484.552 5.644 50 10 JKGE CCOC(=O)/C(C#N)=C/c1ccc(OC(=O)CCCOc2ccc(C(C)C)cc2)c(OC)c1 40950053 HFACKIJNTCPMMJ-RCCKNPSSSA-N 451.519 5.053 50 10 JKGE N#C/C(=C\c1cc(Br)ccc1OCc1cccc(F)c1)C(=O)Nc1ccccc1F 59117147 RNVWGYWUIIVACC-GZTJUZNOSA-N 469.285 5.852 50 10 JKGE N#C/C(=C/c1ccccc1OCc1ccc(Cl)cc1)C(=O)Nc1cccc(C(F)(F)F)c1 59224528 SMWQSBIJSTVORE-PDGQHHTCSA-N 456.851 6.483 50 10 JKGE CCOc1cc(/C=N/NC(=O)c2ccc(-n3c(C)ccc3-c3ccccc3)cc2)ccc1OCC#N 59304287 PZQWTPQILHCJBS-AJBULDERSA-N 478.552 5.518 50 10 JKGE N#C/C(=C\c1ccc(O)c(Br)c1)c1nc(-c2cc3cc([N+](=O)[O-])ccc3oc2=O)cs1 97361777 WXZXFCRFHODDLY-WLRTZDKTSA-N 496.298 5.357 50 10 JKGE CCc1ccc(N2C(=O)[C@H](Cc3cccc(C)c3)S/C2=C(/C#N)C(=O)NCc2ccccc2)cc1 101240796 JBFHZCYMAVJWCI-HFVAWESISA-N 481.621 5.300 50 10 JKGE CCCOc1ccc(-c2nn(-c3ccccc3)cc2/C=C2/C(=O)N(CCC)C(=O)C(C#N)=C2C)cc1C 101332771 FDJLCUZGTNUKMT-KOEQRZSOSA-N 494.595 5.639 50 10 JKGE N#C/C(=C/c1ccc(OCc2ccccc2)cc1)C(=O)Nc1ncc(Cc2ccccc2)s1 102973928 SYPRDCSFVDNCIS-HAHDFKILSA-N 451.551 5.859 50 10 JKGE COc1cc([C@H](Br)c2cc(Br)sc2Br)ccc1C 109869943 GQQDEUCHOPQBJL-LBPRGKRZSA-N 455.009 6.074 50 10 JKGE CC(C)(C)C1CCC([C@@H](Br)c2cc(Br)sc2Br)CC1 109870163 RZIGCDSUOGRSLT-SRHKJQAYSA-N 473.112 7.562 50 10 JKGE Brc1cc([C@@H](Br)[C@H]2CCCc3ccccc32)c(Br)s1 109870166 UMSBYOFXQXKCEA-FZMZJTMJSA-N 465.048 6.829 50 10 JKGE Fc1ccc(Br)cc1[C@@H](Cl)c1cc(Br)c(Br)s1 128153292 YZSOWEGVSCZPOG-SNVBAGLBSA-N 463.391 6.503 50 10 JKGE C[C@@]12CC3CC([C@H](Cl)c4cc(Br)c(Br)s4)(C1)C[C@](C)(C3)C2 128287474 NUZMLQQZRFFLHM-PYARWRRDSA-N 452.683 7.550 50 10 JKGE O=[N+]([O-])c1ccc(C[C@@H](Br)c2cc(Br)c(Br)s2)cc1 128930371 QHJCHNSFJPPAOO-SECBINFHSA-N 469.980 5.860 50 10 JKGE Clc1cc([C@@H](Br)c2csc3c(Br)cccc23)ccc1Br 129205629 YDPNXOUVYPAZRT-CQSZACIVSA-N 495.461 7.564 50 10 JKGE Fc1cc(Br)cc(F)c1[C@H](Br)c1cc(Br)c(Cl)s1 227847968 WNZIMJWWQKYANO-SNVBAGLBSA-N 481.381 6.689 50 10 JKGE CCOc1ccc([C@H](Br)c2cc(F)cc(Br)c2)cc1Br 228996439 QUFAVZDXVBAPKN-HNNXBMFYSA-N 466.970 6.234 50 10 JKGE CCCOc1ccc([C@@H](Br)c2ccc(Br)s2)cc1Br 229008439 VBTIRJZNHOOJCT-CQSZACIVSA-N 469.036 6.546 50 10 JKGE CC(C)CC(CBr)(CBr)Cc1c(F)ccc(Br)c1F 230376650 VBMSWVAEGFFOQG-UHFFFAOYSA-N 462.998 6.092 50 10 JKGE COc1ccc([C@@H](Br)c2ccc(I)c(Cl)c2)cc1OC 232342598 HDQIUHZPPMADNP-HNNXBMFYSA-N 467.528 5.446 50 10 JKGE Fc1cc(Br)c(Cl)cc1[C@@H](Br)c1cc(Cl)sc1Cl 236226165 QQADQQLRNUSZAF-SNVBAGLBSA-N 453.385 7.094 50 10 JKGE COc1cc(OC)c(C=NNC(=O)c2cc3c(ccc4ccccc43)o2)cc1Br 252634634 WPOSXYLCQQREFT-UHFFFAOYSA-N 453.292 5.130 50 10 JKGE CCCCCCCCCC(=O)NCC(=O)NN=Cc1cn(-c2ccccc2)nc1-c1ccc(F)cc1 254351184 WZDIMHMSFNFGSY-UHFFFAOYSA-N 491.611 5.385 50 10 JKGE Cc1cccc(C=NNC(=O)CSc2nnc(SCc3cccc4ccccc34)s2)c1 254500937 NMYGTJDDKZZHBY-UHFFFAOYSA-N 464.641 5.534 50 10 JKGE BrCC(CBr)(CCOCc1ccccc1)c1ccc(Br)cc1 309779663 DMILCLQYXNXNCZ-UHFFFAOYSA-N 491.061 6.084 50 10 JKGE C[C@H](Cl)c1nc2cc(F)c(Br)cc2n1C(C)(C)CN(C)Cc1ccccc1 379606985 CMVWBYOANHIDGJ-AWEZNQCLSA-N 452.799 6.105 50 10 JKGE O=C(OCc1ccccc1)N1C[C@@H](CI)[C@H](c2c(Cl)cccc2Cl)C1 382691221 IKPFPXBMKGYAEE-HUUCEWRRSA-N 490.168 5.781 50 10 JKGE Cl[C@@H](c1sccc1I)c1ccc(Br)c2ccccc12 388323454 JLVKNGZWBGJZED-CQSZACIVSA-N 463.565 6.597 50 10 JKGE C[C@H]1CN(c2ccc(CBr)cc2Br)[C@H](C)[C@H](C)N1Cc1ccccc1 404274024 MNQLURAHGZOEFJ-YESZJQIVSA-N 466.261 5.832 50 10 JKGE Cc1ccccc1C[C@H](CBr)Cc1cc(Cl)ccc1I 405525032 KNQUBKQMOOXBOJ-ZDUSSCGKSA-N 463.584 6.049 50 10 JKGE C[C@@H]1CC[C@@](C)([C@H](Br)c2cc(Br)ccc2Br)C1(C)C 699132429 YTAGIBJICRAFJB-HQQWDMGQSA-N 453.056 7.110 50 10 JKGE O=C(N[C@H]1CCCCC[C@@H]1Br)c1scc(Br)c1Br 705411482 YGMIAZWZOQCICR-CBAPKCEASA-N 460.029 5.099 50 10 JKGE Cc1cc(/C=C(\C#N)C(=O)Nc2cccc(Cl)c2Cl)c(C)n1-c1ccccc1C(=O)O 1084125136 JVQOHUDEBGOHQA-LFIBNONCSA-N 454.313 5.645 50 10 JKGE COc1cc(C=NNC(=O)c2ccccc2)cc(Br)c1OCc1ccc(C)cc1 1084138044 OKJRJJXIUAVIDY-UHFFFAOYSA-N 453.336 5.109 50 10 JKGE Cc1ccc(COc2ccc(Br)cc2/C=C(/C#N)C(=O)Nc2ccc(C)c(C)c2)cc1 1084220095 YWAAKZSSUSUDTK-XKZIYDEJSA-N 475.386 6.499 50 10 JKGE O=C(CSc1ccc(Cl)cc1)NN=Cc1ccc(-c2cc([N+](=O)[O-])ccc2Cl)o1 1084307316 XZDSMULSSVXHIJ-UHFFFAOYSA-N 450.303 5.404 50 10 JKGE Cc1cccc(COc2ccc(C=NNC(=O)CC[C@H](O)c3ccccc3)cc2Br)c1 1084457843 GIHYLNCBEPYSMD-QHCPKHFHSA-N 481.390 5.300 50 10 JKGE O=C(OCc1ccccc1)N1C[C@H](CI)[C@H](c2ccccc2C(F)(F)F)C1 1614702635 KKLZHXIJPIPEIW-DOTOQJQBSA-N 489.275 5.493 50 10 JKGE Cc1ccc(Cl)cc1NC(=O)c1oc2c(c1C)C(=NNC(=O)Cc1ccc([N+](=O)[O-])cc1)CCC2 1772747193 MGVNBNSTQMAQGJ-UHFFFAOYSA-N 494.935 5.110 50 10 JKGE Clc1cccc(-c2c(Cl)c(Cl)c(Cl)c(Cl)c2Cl)c1CBr 1848369119 GVFCPBUJCZAGGM-UHFFFAOYSA-N 453.805 8.169 50 10 JKGE N#CSc1ccc(NC(=O)Oc2cccc3c(NC(=O)C45CC6CC(CC(C6)C4)C5)cccc23)cc1 1858775805 XSDCAPISQNIFCO-UHFFFAOYSA-N 497.620 7.179 50 10 JKGE Cc1ccc(Cn2nc(C)c3c2OC(N)=C(C#N)[C@@H]3c2ccccc2OCc2ccccc2Cl)cc1 1865703001 KLWSGBRTFQRLOA-MHZLTWQESA-N 496.998 5.999 50 10 JKGE CCc1nn(Cc2ccc(F)cc2)c2c1[C@H](c1ccc(OC(=O)c3ccccc3)cc1)C(C#N)=C(N)O2 1865704682 BRFMVGZZYOVZNX-RUZDIDTESA-N 494.526 5.070 50 10 JKGE COC(=O)c1ccc([C@@H]2C(C#N)=C(N)Oc3c2c(C(F)(F)F)nn3-c2cccc3ccccc23)cc1 1865708865 HXIDNQVXRSULFJ-HXUWFJFHSA-N 490.441 5.049 50 10 JKGE CCCC[C@H](NC(=O)CCC(C)(C)c1ccc(C)cc1)C(=O)Nc1ccc(SC#N)cc1 1866792855 XHQJGZPRSCKJLL-QHCPKHFHSA-N 451.636 5.940 50 10 JKGE N#C/C(=C\c1cccc(OCc2ccc(Cl)c(Cl)c2)c1)c1cc2c(cc1[N+](=O)[O-])OCCO2 1872728825 WFESAEFYTMMWPS-CAOOACKPSA-N 483.307 6.316 50 10 JKGE CCOC(=O)c1ccc(N2C[C@@H](/C(O)=C(\C#N)c3nc(-c4ccc(CC)cc4)cs3)CC2=O)cc1 1872744264 JURCRPDRZOBMOA-RCBZZLCRSA-N 487.581 5.395 50 10 JKGE N#C/C(=C(/O)CNC(=O)c1ccccc1)c1nc(-c2ccc(Oc3ccccc3)cc2)cs1 1872753719 JTDXXBBAKNLPSK-GYHWCHFESA-N 453.523 5.825 50 10 JKGE CCCCCOc1ccc(/C=C(\C#N)c2nc(-c3ccc(Cl)c(Cl)c3)cs2)cc1OCC 1872790508 NSYAHCHGQHHPIF-XDHOZWIPSA-N 487.452 8.149 50 10 JKGE CCCCOc1ccc(/C(O)=C(\C#N)c2nc(-c3ccc4ccccc4c3)cs2)cc1OCC 1873941026 SJHAXIOUFUDKGP-VYIQYICTSA-N 470.594 7.491 50 10 JKGE C[C@@](F)(CO[C@H](CI)c1cccc(Br)c1)C(F)(F)F 1876650248 CRZNLWYUKNUFQM-GHMZBOCLSA-N 455.027 5.232 50 10 JKGE COC[C@@H]1C[C@H]1[C@@H](Cl)c1c(Br)sc(Br)c1Br 1896490197 DVDLHZYKELOXPW-CPDSJTNBSA-N 453.421 5.598 50 10 JKGE CC(C)C1(COc2c(Br)cc(CBr)cc2Br)COC1 1898916134 ZCPOUYLVUBYCJG-UHFFFAOYSA-N 457.000 5.158 50 10 JKGE CC(C)(C)OC(=O)N[C@@H](CBr)[C@H]1CCCN(C(=O)OC(C)(C)C)C12CCCC2 1903366587 LSZJZJHWYAIRNF-CVEARBPZSA-N 461.441 5.235 50 10 JKGE O=C(c1cc(Br)c(Br)s1)N(Cc1ccccc1)[C@H](CCl)C1CC1 1915207101 DLXVDGICCKHTHM-CQSZACIVSA-N 477.649 5.933 50 10 JKGE O=C(NCC1CCC(CBr)CC1)c1c(Br)cccc1Br 1922690125 MTDFMCTWBJKDBT-UHFFFAOYSA-N 468.027 5.143 50 10 JKGE Cc1c(Br)sc([C@H](Br)[C@H]2CCCc3ccccc32)c1Br 1922886827 YHWACVQFBUKDFD-GXTWGEPZSA-N 479.075 7.138 50 10 JKGE CSc1ccc([C@H](Br)c2c(Br)sc(Br)c2Cl)cc1 1923055002 NCZIFDNDOWBITH-VIFPVBQESA-N 491.495 7.133 50 10 JKGE C[C@@]1([C@H](Br)c2c(Br)sc(Br)c2Cl)CCCO1 1923067245 AAMMNTKTYGYBAS-XCBNKYQSSA-N 453.421 5.932 50 10 JKGE Cc1cccc([C@@H](Br)Cc2ncccc2Br)c1I 1924860996 KWDHFOUVEWVXGP-LBPRGKRZSA-N 480.969 5.436 50 10 JKGE Fc1cc(Br)c(Cl)cc1[C@@H](Br)c1sncc1Br 1941498587 KEVYLUGLSJDQOS-SECBINFHSA-N 464.379 5.945 50 10 JKGE Clc1c(Br)ccc(CBr)c1Oc1ccc(OCc2ccccc2)cc1 2036842778 PIUILOJVZFODFR-UHFFFAOYSA-N 482.599 7.369 50 10 JKGE Brc1ccc([C@H](Br)CCc2ccc(I)cc2)cc1 2050565757 BLDCUOBPBJHRQB-OAHLLOKOSA-N 479.981 6.123 50 10 JKGE Cc1c(Br)sc([C@H](Br)C(F)(F)[C@H]2CCOC2)c1Br 2065535807 KBXKHFZDZPKETI-RCOVLWMOSA-N 468.983 5.689 50 10 JKGE BrC[C@@H](Nc1ncc(I)cc1Br)C1CCCCC1 2069526673 ZDGZALZZTSZRHV-GFCCVEGCSA-N 488.005 5.204 50 10 JKGE Clc1ccc([C@H](Br)c2cc(C3CC3)c(Br)s2)cc1Br 2094674207 SJPVQRNSAAMIPI-ZDUSSCGKSA-N 485.466 7.288 50 10 JKGE Cc1c(Br)sc([C@H](Br)C2(C(F)(F)F)CCCC2)c1Br 2116579698 JZRSZQIZJIALTK-VIFPVBQESA-N 485.001 7.140 50 10 JKGE BrC[C@@H]1CCC2(CC2)CN1Cc1cc(Br)ccc1Br 2118529543 CYGMUQKKASJETQ-ZDUSSCGKSA-N 452.028 5.351 50 10 JKGE Cc1cc(Br)c(C)c([C@H](Br)C[C@H]2CC[C@H](C)O2)c1Br 2136371483 OMRGCIQEPBMBOC-UFGOTCBOSA-N 455.028 6.222 50 10 JKGE Cc1cc(Br)c(C)c([C@H](Br)[C@H]2CC23CCCC3)c1Br 2136375324 UNWQMIYBIQQFLX-IAQYHMDHSA-N 451.040 6.845 50 10 JKGE COc1c(Cl)cc(Br)cc1[C@@H](Br)c1ccc(Br)cc1 2138240146 AWNIGOWIAKQKHS-ZDUSSCGKSA-N 469.398 6.358 50 10 JKGE Cc1c(Br)ccc([C@H](Br)[C@H]2CCCCC2(C)C)c1Br 2138848299 AKQHZQYYEJYKKL-DOMZBBRYSA-N 453.056 7.172 50 10 JKGE Cc1c(Br)ccc([C@H](Br)C2(CC(F)F)CCC2)c1Br 2138860556 FCYVCWGDKLLTJO-ZDUSSCGKSA-N 460.982 6.782 50 10 JKGE COc1ccc([C@H](Cl)c2ccc(Br)cc2I)cc1F 2142286636 GCRHEPFDIRISAN-AWEZNQCLSA-N 455.492 5.530 50 10 JKGE Cc1ccc(CBr)c(OCc2ccc(I)c(Cl)c2)c1 2142950038 OGJBVEYZUJMQRA-UHFFFAOYSA-N 451.529 5.727 50 10 JKGE Cc1cc(Br)c([C@@H](Br)[C@@H]2[C@H]3CC[C@@H](C3)C2(C)C)cc1Br 2146283494 BMSFPFUGDQVZSZ-KUDNYVPYSA-N 465.067 7.028 50 10 JKGE Fc1cc2nc(CCl)n([C@@H]3CCOC[C@@H]3OCc3ccccc3)c2cc1Br 2146520764 JNRYKYQDHLJXCJ-MJGOQNOKSA-N 453.739 5.224 50 10 JKGE CC(C)(C)C[C@H](CCl)CNC(=O)c1ccc(I)c(Br)c1 2156339192 ZHHAOSNZQPZQKW-SNVBAGLBSA-N 472.592 5.075 50 10 JKGE CC1(C)C[C@@H](n2c(CCl)nc3cc(Br)c(Cl)cc32)[C@H]1OCc1ccccc1 2159872859 AEWXQTSCZGQEOQ-UYAOXDASSA-N 468.222 6.747 50 10 JKGE CCCCCC1CCC([C@@H](Br)c2cc(Br)sc2Br)CC1 2168768863 DHFATGMDWGOKPD-KOHJWAIASA-N 487.139 8.096 50 10 JKGE CN(C(=O)c1cc(Cl)ccc1I)[C@H]1CCCCC[C@@H]1Br 2172545698 AEHZPHGSZGZWKC-JSGCOSHPSA-N 470.576 5.113 50 10 JKGE CCc1cc([C@@H](Br)c2cc(I)ccc2F)c(F)cc1F 2175401427 DJAHYBHWYBSTIF-OAHLLOKOSA-N 455.055 5.755 50 10 JKGE Clc1sc(Br)c(Cl)c1[C@H](Br)[C@@H]1C[C@@H]1C1CCCCCC1 2199988016 KCZSVXGQFPSERF-CKYFFXLPSA-N 461.090 7.860 50 10 JKGE COc1c(C)cc(Br)cc1[C@H](Br)c1cccc(Br)c1F 2206572873 XUTQNIRYVSUGTJ-CYBMUJFWSA-N 466.970 6.152 50 10 JKGE CC1(C)CCC[C@](CBr)(Cc2ccc(I)c(Cl)c2)CC1 2208032050 FPKXGDJMASPVFB-QGZVFWFLSA-N 469.632 6.859 50 10 JKGE O=S1(=O)CC[C@@H]1[C@H](Br)c1c(Br)cc(Cl)c(Cl)c1Cl 2217618777 SFIMWFPCZVHAQR-SVRRBLITSA-N 457.398 5.032 50 10 JKGE Cn1cc([C@@H](Cl)c2cc(Br)c(Br)cc2F)c(Br)n1 2218597269 LBRGUTBHHLSWLQ-JTQLQIEISA-N 461.354 5.175 50 10 JKGE CO[C@@H]1CC[C@H]([C@H](Br)c2c(Br)cc(Cl)c(Cl)c2Cl)C1 2224304633 LGZFCOZXTFMJCW-CVJICSNFSA-N 451.413 6.660 50 10 JKGE CC(C)(C)OC1CC(C[C@H](Br)c2sc(Br)cc2Br)C1 2224732909 VRINBXUOHJUJIM-RTBKNWGFSA-N 475.084 6.693 50 10 JKGE Fc1ccccc1C[C@@H](Br)c1cc(Br)c(Br)cc1F 2225616257 NKUAJQMYDABDQX-SNVBAGLBSA-N 454.934 6.169 50 10 JKGE Cc1cc(Br)c([C@@H](Br)c2c(Br)cc(F)c(F)c2F)s1 2229329944 OATLFBXYGFEZII-VIFPVBQESA-N 478.953 6.483 50 10 JKGE FC1(F)[C@@H]2CC[C@H]([C@@H](Br)c3c(Br)cc(Cl)c(Cl)c3Cl)[C@@H]21 2232513338 QJXFKLAIOCJLHD-FBFBHZLOSA-N 469.378 7.137 50 10 JKGE CCC[C@@H](CC(C)C)[C@H](Br)c1c(Br)cc(Cl)c(Cl)c1Cl 2232516782 MJZBDDQYSMIFHQ-ZANVPECISA-N 465.484 8.308 50 10 JKGE Fc1cc(Br)c(Br)cc1[C@H](Br)c1cscc1C(F)(F)F 2233991456 CQLCIYBMZKPIBP-NSHDSACASA-N 496.943 6.915 50 10 JKGE Cc1cc(Br)c([C@H](Br)[C@@H]2CC[C@@H]3[C@H]2C3(F)F)c(C)c1Br 2235599684 NJVGFROJRNZQQZ-HNCHUZPSSA-N 472.993 6.556 50 10 JKGE Cc1cc(Br)c([C@H](Cl)c2ccc(F)cc2Br)c(C)c1Br 2235605791 UTBSJASEHFKYAF-OAHLLOKOSA-N 485.416 7.058 50 10 JKGE COc1ccc(Br)c(CBr)c1OCc1ccncc1Br 2236029611 BZBPAEPNBHSJKY-UHFFFAOYSA-N 465.967 5.089 50 10 JKGE COc1ccc([C@@H](Cl)c2ccc(Br)c(C)c2Br)c(Br)c1 2240820272 XUWUXYXXZAXWLF-OAHLLOKOSA-N 483.425 6.619 50 10 JKGE CCc1cc([C@@H](Br)c2cc(Cl)ccc2Br)sc1Br 2255989706 WMXKRPWFWZYTNY-LBPRGKRZSA-N 473.455 6.973 50 10 JKGE C[C@@H]1Cc2cc([C@@H](Br)c3cocc3Br)cc(Br)c2O1 2270465571 RGSDAHRSCIVUJG-FUXBKTLASA-N 450.952 5.612 50 10 JKGE FC[C@@]12CC[C@@]([C@H](Cl)c3c(Br)sc(Br)c3Br)(CO1)C2 2274683567 CWNCUVTYSGAVMF-ZHAHWJHGSA-N 497.449 6.224 50 10 JKGE Brc1cc(Br)cc(C[C@@H](Br)C[C@@H]2C[C@H]3CC[C@H]2C3)c1 2277960172 FIUCLRQMWMHRPH-DOERSZECSA-N 451.040 6.344 50 10 JKGE Cc1cc(Br)c([C@H](Br)c2ccc(Cl)c(Br)c2)c(C)c1F 2279156934 PCFZDXVCRHAZJY-CQSZACIVSA-N 485.416 7.105 50 10 JKGE CN(Cc1ccc(I)cc1)CC1(CBr)CCCCCC1 2280255622 TVLJLLCEFPQHII-UHFFFAOYSA-N 450.202 5.459 50 10 JKGE Fc1cc(Br)c(F)c(Br)c1[C@H](Br)[C@@]12COC[C@H]1C2(F)F 2288480181 GLJCORIEMDACCV-LIEZGIJOSA-N 482.891 5.208 50 10 JKGE CCOC(=O)c1cccc(-n2c(C)cc(C=C(C#N)C(=O)Nc3ccc(Cl)cc3Cl)c2C)c1 2293250304 RVIRDMUMQXAHSD-UHFFFAOYSA-N 482.367 6.123 50 10 JKGE O=C(Cl)C=Cc1ccc(OCc2ccc(Cl)cc2Cl)c(I)c1 2293941048 WPOIIRREPLFSAT-UHFFFAOYSA-N 467.517 5.956 50 10 JKGE N#CC(=Cc1c[nH]c2ccc(OCc3ccccc3)cc12)C(=O)Nc1cc(C(F)(F)F)ccc1Cl 2295187794 QFRZQMMYVOLNOQ-UHFFFAOYSA-N 495.888 6.965 50 10 JKGE Fc1ccc([C@H](Br)Cc2cc(Br)cc(Br)c2)c(F)c1F 2295280148 YAHCKKSSYUUSPT-LLVKDONJSA-N 472.924 6.308 50 10 JKGE COc1ccc([C@@H](Br)c2scc(Br)c2Br)c(OC)c1C 2295368273 TWKUZHLDMUDMJV-LLVKDONJSA-N 485.035 6.083 50 10 JKGE COC(=O)c1ccccc1NC(=O)C(C#N)=Cc1ccc(OCc2ccccc2Cl)c(Cl)c1 2295459761 VNVUIZQPAIOKBO-UHFFFAOYSA-N 481.335 5.905 50 10 JKGE N#CC(C(=O)Nc1cccc2ccccc12)=C1S[C@@H](Cc2ccccc2)C(=O)N1c1ccccc1 2296500290 ANACNVMZHFQITH-SANMLTNESA-N 475.573 5.905 50 10 JKGE CCCCSc1ccc(-c2nn(-c3ccccc3)cc2C=C(C#N)C(=O)NCCCOC)cc1 2296731443 YBFGGPPYPIQTAL-UHFFFAOYSA-N 474.630 5.491 50 10 JKGE Cc1ccc(C[C@@H]2SC(=C(C#N)C(=O)c3c[nH]c4ccccc34)N(c3ccccc3)C2=O)cc1 2296837802 NBUYLIWBAPSQTH-VWLOTQADSA-N 463.562 5.786 50 10 JKGE COc1cc(C=C(C#N)c2cccc([N+](=O)[O-])c2)cc(Br)c1OCc1ccccc1 2297369699 FNGVASGRMHKYSH-UHFFFAOYSA-N 465.303 6.009 50 10 JKGE CCCOC1([C@@H](Br)c2ccc(OCc3ccccc3)cc2Br)CC1 2299489889 UCKJXDOTBTUWTL-IBGZPJMESA-N 454.202 6.423 50 10 JKGE CCCc1sc(Br)cc1[C@@H](Br)c1ncsc1Br 2300648217 DGTUWYVSKRQQGX-SECBINFHSA-N 460.054 6.166 50 10 JKGE CC(C)(C)[C@H](CBr)COc1cc(Br)cc(I)c1 2301040101 UKNNEUHNGRJIRC-SECBINFHSA-N 475.990 5.490 50 10 JKGE C[C@@H]1CC[C@@H](Cc2ccc(I)c(Br)c2)C[C@H]1Br 2306199156 JGDMYNTXJHLITL-JFGNBEQYSA-N 472.002 5.796 50 10 JKGE COc1cc([N+](=O)[O-])ccc1-n1c(C)cc(C=C(C#N)C(=O)Nc2cccc(Cl)c2Cl)c1C 2313571291 RNGSVDGTTOKKQO-UHFFFAOYSA-N 485.327 5.863 50 10 JKGE N#CC(=Cc1cc(Cl)ccc1OCc1ccccc1F)C(=O)Nc1ccc(Cl)c(Cl)c1 2313630954 IJHYGYDWTYWWPR-UHFFFAOYSA-N 475.734 6.911 50 10 JKGE N#CC(=Cc1cccc(OC(=O)c2ccc(Cl)cc2)c1)C(=O)Nc1cccc(Cl)c1Cl 2313631866 XPRQSDQLRXENBG-UHFFFAOYSA-N 471.727 6.412 50 10 JKGE CCOc1cc(C=C(C#N)C(=O)Nc2cc(Cl)ccc2C)ccc1OCc1cccc(Cl)c1 2313676585 GLCVJZJUOLUHAI-UHFFFAOYSA-N 481.379 6.825 50 10 JKGE Clc1ccc(C[C@H](Br)c2ccc(OCc3ccccc3)cc2Br)cc1 2314501361 WVUOWQKADXMSRA-FQEVSTJZSA-N 480.627 7.360 50 10 JKGE CC12CC([C@H](Br)c3cc(Br)ccc3OCc3ccccc3)(CCO1)C2 2314502553 KAKIMYDOWBOGIM-QNGMFEMESA-N 466.213 6.423 50 10 JKGE COc1ccc(N2C(=O)[C@@H](Cc3ccc(C)cc3)SC2=C(C#N)C(=O)N[C@H](C)c2ccccc2)cc1 2314592929 DRHOROZTFBNNQK-FQRUVTKNSA-N 497.620 5.307 50 10 JKGE CC(C)c1ccc(N2C(=O)[C@H](Cc3ccc(F)cc3)SC2=C(C#N)C(=O)NCc2ccccc2)cc1 2314594057 YHSVGJKXIGVBSW-SANMLTNESA-N 499.611 5.692 50 10 JKGE CCOC(=O)C(C#N)=Cc1cccc(OC(=O)COc2cc(C)c(Cl)c(C)c2Br)c1 2314770668 PWOGQDLHTOBCOI-UHFFFAOYSA-N 492.753 5.174 50 10 JKGE Clc1cc(I)c([C@@H](Cl)Cc2ccc(Cl)c(Cl)c2)s1 2316773867 CEUFDCVOWJWBOS-VIFPVBQESA-N 451.971 6.836 50 10 JKGE Fc1cc(Cl)c([C@H](Br)c2cc(Br)sc2Br)c(Cl)c1 2318359127 OHSWIZAAOAHKRH-SNVBAGLBSA-N 497.836 7.203 50 10 JKGE Cc1sc(OCc2cc(I)ccc2Br)nc1CCl 2318983236 VDXJDTCKAMQBCZ-UHFFFAOYSA-N 458.546 5.136 50 10 JKGE COc1cc(C=C(C#N)c2nc3cc(C)c(C)cc3[nH]2)cc([N+](=O)[O-])c1OCc1ccccc1 2323839142 NDPVLYZCXMJSAF-UHFFFAOYSA-N 454.486 5.740 50 10 JKGE CC(C)N1C(=O)c2ccc(C(O)=C(C#N)c3nc(-c4ccc5ccccc5c4)cs3)cc2C1=O 2331237918 SJWNVYFMVAYQPX-UHFFFAOYSA-N 465.534 5.918 50 10 JKGE N#CC(=C(O)CCc1nc2ccccc2[nH]c1=O)c1nc(-c2ccc3c(c2)CCCC3)cs1 2331240212 ISEBIKMHQWWDIZ-UHFFFAOYSA-N 454.555 5.351 50 10 JKGE COc1ccc(C=C(C(O)=C(C#N)c2nc(-c3cc(C)cc(C)c3OC)cs2)c2ccccc2)cc1 2331371685 DCQCSNAJEXQEBT-UHFFFAOYSA-N 494.616 7.478 50 10 JKGE CCOc1cc(C=C(C#N)c2nc(-c3ccc(OC)c(C)c3)cs2)ccc1OCc1ccc(C)cc1 2331430194 SLJFSIRWBWNYII-UHFFFAOYSA-N 496.632 7.477 50 10 JKGE COc1cc(Cl)c(C)cc1-c1csc(C(C#N)=Cc2ccc(OCc3ccc(C)cc3)cc2)n1 2331474277 SVLAWGJXFHRIJE-UHFFFAOYSA-N 487.024 7.732 50 10 JKGE C=C1C(=O)O[C@@H]2C[C@@H]3[C@]4(C)CC[C@H]([C@H](C)CCC=C(C)C=O)[C@]4(C)CC[C@]34C[C@@]4(CCC(=O)O)[C@@H]12 2333297260 YLQIANWVVVMWMO-AQZJCJKYSA-N 482.661 6.123 50 10 JKGE Fc1cccc(Cl)c1C[C@H](Cl)c1cc(Br)ccc1OCc1ccccc1 2336049900 GTLCZKDCFDIHOL-IBGZPJMESA-N 454.166 7.343 50 10 JKGE Fc1c(Br)cc(Cl)c([C@H](Br)CC2C[C@H]3C[C@@H]3C2)c1Br 2337085303 WQXQESJBEASKGZ-XHNCKOQMSA-N 475.421 6.876 50 10 JKGE CC(C)c1cccc(CO[C@@]2(CI)CCCN(C(=O)OC(C)(C)C)C2)c1 2343784868 CAPMTXBXEAQNQI-OAQYLSRUSA-N 473.395 5.531 50 10 JKGE C[C@@]1(Nc2ncc(I)cc2Br)C[C@H]2CC[C@H]1C[C@@H]2Cl 2352859903 WPTOVGKPOXPPRB-VILIVFPASA-N 455.565 5.047 50 10 JKGE Brc1ccc(OCc2ccccc2)c([C@@H](Br)[C@H]2C[C@@H]3CCCCCC[C@@H]32)c1 2361201399 SCVTUIWFXNRBJZ-FVLCUVFVSA-N 492.295 8.071 50 10 JKGE Fc1c(Br)cc(Cl)c([C@H](Br)[C@H]2OC[C@@H]3CCC[C@H]23)c1Br 2362230606 ALVYVFVSGPHKHL-JVSAYRRNSA-N 491.420 6.255 50 10 JKGE C[C@@H]1CCC[C@@H]([C@@H](Br)c2c(Cl)cc(Br)c(F)c2Br)CC1 2362238577 WCFXPDZFOJMGBB-JRKPZEMJSA-N 491.464 7.657 50 10 JKGE CN(c1cc(Cl)c(F)cc1CBr)[C@@H]1C[C@@H]2C[C@@H](OCc3ccccc3)C[C@@H]21 2362388146 JEKFUXBHFTZOGX-KANGHSEISA-N 452.795 6.194 50 10 JKGE COc1c(Br)cc(C)c([C@@H](Br)[C@@H]2CCC3(CC3)C2)c1Br 2365190012 AHKYNNGEXNUGFD-MFKMUULPSA-N 467.039 6.545 50 10 JKGE CC(C)(C)OC(=O)N1CCC[C@@](CBr)(OCCCc2cc(Cl)cc(Cl)c2)C1 2366938218 VTISQJSJWIYZNI-FQEVSTJZSA-N 481.258 6.107 50 10 JKGE CC(C)(C)OC(=O)N1CCC(CI)(OCc2cccc(C(F)(F)F)c2)CC1 2381510590 SHFDCZKKFWZMBO-UHFFFAOYSA-N 499.311 5.427 50 10 JKGE N#C/C(=C\c1ccccc1OCc1c(Cl)cccc1Cl)S(=O)(=O)c1ccc(Cl)cc1 2142331 OPDPFLGSRDSIFT-LDADJPATSA-N 478.784 6.564 50 10 JKGE N#CC(=C/c1cn(Cc2ccccc2)c2ccccc12)/C(O)=N/c1cc(C(F)(F)F)ccc1Cl 2797527 DUQXJTYVXDAFEZ-PDGQHHTCSA-N 479.889 7.557 50 10 JKGE CSc1sc(C)cc1[C@@H]1C(C#N)=C(N)N(c2cccc(Cl)c2C)C2=C1C(=O)CCC2 9982159 XLQOAMFPASYXKU-HXUWFJFHSA-N 456.036 6.045 50 10 JKGE CC[C@@H](C)c1ccc(OCC(=O)NNC(=O)c2ccc(OCCC(C)C)c(Br)c2)cc1 14645700 YUDXETMHQMHDNY-QGZVFWFLSA-N 491.426 5.228 50 10 JKGE C[C@@H](Sc1nnc(Cc2ccccc2)n1-c1ccccc1)C(=O)/C(C#N)=C1\Nc2ccccc2S1 21825192 FNUPUXCXGBBVHV-QXOGVRMXSA-N 495.633 5.861 50 10 JKGE O=C(NCCCCNc1c2ccccc2nc2ccccc12)c1ccc(N(CCO)CCCl)cc1 31430632 GIAZTKAHWIEQQE-UHFFFAOYSA-N 491.035 5.048 50 10 JKGE CCCCOc1ccccc1/C=C(/C#N)C(=O)Nc1ncc(Cc2ccc(Cl)cc2)s1 33783533 PURPGEXSURNSFE-RGEXLXHISA-N 451.979 6.112 50 10 JKGE CS/C(Nc1ccc(Cl)cc1)=C(\C#N)C(=O)c1cc(-c2ccccc2)c(C(F)(F)F)s1 33899120 WBGGFTULEMHVBM-HEHNFIMWSA-N 478.948 7.480 50 10 JKGE CCOc1ccc(-c2nn(-c3ccccc3)cc2/C=C(\C#N)c2nc(O)c3ccccc3n2)cc1C 34983889 CAJFUSBRJRXWMM-LTGZKZEYSA-N 473.536 5.959 50 10 JKGE CCCOc1ccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4ccccc4Cl)ccc32)cc1 38650600 GGKSOCOPHIGEDV-DEOSSOPVSA-N 460.917 5.566 50 10 JKGE Cc1ccc2nc(N(/N=C/c3ccc([N+](=O)[O-])s3)C(=O)c3ccc(Cl)s3)sc2c1 39714465 BFXOZURMUWRDNU-AWQFTUOYSA-N 462.965 5.970 50 10 JKGE Cc1ccc(Oc2nc3ccccn3c(=O)c2/C=C(/C#N)C(=O)Nc2cc(C)ccc2C)c(C)c1 39858861 WXELDOWFDCDUBX-QNGOZBTKSA-N 464.525 5.266 50 10 JKGE CCCCC1CCC(C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@H]3c2ccc(C(C)(C)C)cc2)CC1 40530289 MWXBPWAWUWPIBB-FEPYILBSSA-N 486.656 7.104 50 10 JKGE CC(C)Cc1ccc([C@H](C)C(=O)N/N=C2\C(=O)N(Cc3cccc4ccccc34)c3ccccc32)cc1 59157170 AXASQEUPSWQOLH-DHAAGVOASA-N 489.619 6.209 50 10 JKGE CCn1c2ccccc2c2cc(N/C=C(/C#N)c3nc(-c4ccc(Br)cc4)cs3)ccc21 102416540 IXRXEVZXFQTQFJ-SDXDJHTJSA-N 499.437 7.677 50 10 JKGE CCOC(=O)c1c(N/C=C(\C#N)c2nc(-c3ccc(OCC)cc3)cs2)sc2c1CCCC2 102460997 TVHGVFYWXBXENL-SAPNQHFASA-N 479.627 6.302 50 10 JKGE COc1ccc([N+](=O)[O-])cc1NC(=O)/C(C#N)=C\c1ccc(-c2cccc(Cl)c2Cl)o1 103485598 FBQPYFOFVPJSAD-XFXZXTDPSA-N 458.257 5.716 50 10 JKGE COc1ccc([C@H](Br)c2ccc(Br)cc2Cl)cc1Br 109833837 RHPPPZSVJAUHQV-AWEZNQCLSA-N 469.398 6.358 50 10 JKGE CCCC[C@H](CC)CC(CBr)(CBr)c1ccc(Br)cc1 118878491 QNCVRHHIAXMJEN-AWEZNQCLSA-N 469.099 7.083 50 10 JKGE Cc1cc(Br)c([C@@H](Cl)c2cc(F)ccc2Br)cc1Br 128651874 FUJHZAGAKSCZIY-AWEZNQCLSA-N 471.389 6.750 50 10 JKGE CC[C@@H](C)c1ccc([C@H](Br)c2cc(Br)c(Br)s2)cc1 128860997 YPEDOUOWXGOCNM-OTYXRUKQSA-N 467.064 7.271 50 10 JKGE O=C(NC[C@H]1CCCC[C@H]1CBr)c1cc(Br)ccc1Br 161228796 UYOQFZILCCQTTL-WDEREUQCSA-N 468.027 5.143 50 10 JKGE Cc1ccc(Br)c(-n2c([C@H](C)Cl)nc3cc(I)ccc32)c1 164098963 DXIFITAGVQZCAN-JTQLQIEISA-N 475.555 6.001 50 10 JKGE C[C@H](Cl)c1nc2cc(I)ccc2n1-c1ccc(F)c(Br)c1 164240931 NWCZIIJYCIFYPU-QMMMGPOBSA-N 479.518 5.832 50 10 JKGE C=C1CC[C@H](O[Si](C)(C)C(C)(C)C)C/C1=C/C=C1\CCC[C@@]2(C)[C@H]1CC[C@@H]2[C@H](C)CCCC(C)C 195861048 DWIUSINKAVTSCC-DXGIQZFUSA-N 498.912 10.649 50 10 JKGE 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 196844304 MCSRTMAXJYKTHU-JUYZCHLJSA-N 486.857 8.963 50 10 JKGE N#C/C(=C/c1ccc(OC(=O)COc2ccccc2-c2ccccc2)cc1)C(=O)NCc1ccco1 206747417 YSVZVRZNOBPVSC-QJOMJCCJSA-N 478.504 5.154 50 10 JKGE CCCCCCOc1ccc(/C=C(/C#N)C(=O)Nc2nc(-c3ccccc3OC)cs2)cc1OC 207200347 VCIBQJLIYOBEBK-HKWRFOASSA-N 491.613 6.332 50 10 JKGE CCCOc1ccc([C@@H](Br)c2c(Cl)cccc2Cl)cc1Br 229009911 QXVLCKUVZFDDLU-MRXNPFEDSA-N 453.001 7.029 50 10 JKGE Cc1ccc([C@H](Br)c2cc(Br)ccc2I)cc1C 235909188 HHOUPGZYMDBOPJ-HNNXBMFYSA-N 479.981 6.155 50 10 JKGE Fc1ccc([C@@H](Br)c2cc(Br)cc3c2OCC3)cc1Br 236182461 GWOPSEDIQVJWKT-CQSZACIVSA-N 464.954 5.770 50 10 JKGE Fc1cc(F)c([C@@H](Br)c2cc(Br)cc(Br)c2)cc1F 236224043 VBLDBIOCIXDNKV-ZDUSSCGKSA-N 458.897 6.113 50 10 JKGE C[C@@H]1CCC[C@@H](C)N1C(=O)COc1ccc(C(=O)NN=Cc2ccc(-c3ccccc3)cc2)cc1 254305134 BCNCFLSSDVWFDV-FGZHOGPDSA-N 469.585 5.286 50 10 JKGE CCCCCOc1ccc(C=NNC(=O)CSc2nnc(SCc3ccccc3)s2)cc1 254711383 WTRZZUOOELHCOZ-UHFFFAOYSA-N 486.688 5.642 50 10 JKGE Cc1ccccc1OCC(=O)NN=Cc1ccc(SCC(=O)Nc2ccc3ccccc3c2)o1 254822635 GCQPLVAONNNHNK-UHFFFAOYSA-N 473.554 5.001 50 10 JKGE C[C@@H](Br)C[C@@H]1CCCCN1C(=O)c1cc(Br)sc1Br 302603763 LPLSMUYZBGFZEQ-BDAKNGLRSA-N 474.056 5.441 50 10 JKGE Fc1ccc(Cl)c([C@@H](Br)c2cc(Br)ccc2Br)c1 311089026 NNUMQVLJMJGVLS-ZDUSSCGKSA-N 457.362 6.488 50 10 JKGE FC(F)(F)c1csc([C@H](Br)c2ccccc2Br)c1Br 311975480 KUGPMRHQVIWHOP-SECBINFHSA-N 478.953 6.776 50 10 JKGE Fc1cccc2c1nc(CCl)n2-c1ccc(I)cc1Br 380033225 KILRSRCNQFKSLE-UHFFFAOYSA-N 465.491 5.271 50 10 JKGE C[C@@H](Cl)c1nc2cc(Br)cnc2n1CCCN(Cc1ccccc1)Cc1ccccc1 390491084 AGQLOFIFWGGVNJ-LJQANCHMSA-N 497.868 6.586 50 10 JKGE Fc1cccc(Br)c1[C@H](Br)c1cc(Cl)c(Cl)c(Cl)c1Cl 404670376 XLLZJAKHIMCXHX-SNVBAGLBSA-N 481.801 7.686 50 10 JKGE CC(C)(C)OC(=O)NCCN1CCOC[C@H](c2cccc(CO[Si](C)(C)C(C)(C)C)c2)C1 616663595 KZRHKGOMILJZQN-JOCHJYFZSA-N 464.723 5.149 50 10 JKGE COCc1cc(Br)c([C@@H](Br)c2ccc(Br)c(C)c2)s1 688146365 OWZDSOWZIAZRDS-ZDUSSCGKSA-N 469.036 6.212 50 10 JKGE C[C@H](Cl)c1nc2ccc(F)c(C#N)c2n1CCCN(Cc1ccccc1)Cc1ccccc1 702930531 YUCLELZHQWCNAW-FQEVSTJZSA-N 460.984 6.439 50 10 JKGE C[C@H](CBr)[C@H]1CCCCN1C(=O)c1scc(Br)c1Br 705441762 KUNJNLVUEUMFAA-PSASIEDQSA-N 474.056 5.299 50 10 JKGE CC1(C)CO[C@H](CC(CBr)(CBr)c2ccc(Br)cc2)C1 708416455 XRFGHOABIPIEIY-AWEZNQCLSA-N 469.055 5.682 50 10 JKGE C[C@H](Cl)c1nc2cc(I)ccc2n1[C@@H]1CN(Cc2ccccc2)CC[C@@H]1C 716301733 RCPCWKRAMXTWRT-CKJXQJPGSA-N 493.820 6.024 50 10 JKGE COc1c(C)cc([C@@H](Cl)c2ccc(I)c(Br)c2)cc1C 721573937 URXYAHRUPGDMNA-HNNXBMFYSA-N 465.556 6.007 50 10 JKGE O=C(NC1(CCCl)CCCCC1)c1ccc(I)c(Br)c1 721604343 OMDLHKVTTRKOIT-UHFFFAOYSA-N 470.576 5.115 50 10 JKGE Cc1c(Br)c(C=NNC(=O)CSCc2cccc(Cl)c2)c(C)n1-c1ccccc1 725385449 LXTOXVKJAIGPFW-UHFFFAOYSA-N 490.854 5.894 50 10 JKGE CC1=CC(C=NNC(=O)CC[C@H](O)c2ccccc2)=C(C)[C@H]1c1ccc(OCc2ccccc2)cc1 1084072862 IRNRIQQPEMIKLQ-SMCANUKXSA-N 480.608 6.241 50 10 JKGE COc1cc(C=NNC(=O)Cc2ccc([N+](=O)[O-])cc2)ccc1OCc1cccc2ccccc12 1084096105 CFLJBYFFFGLKAQ-UHFFFAOYSA-N 469.497 5.028 50 10 JKGE CCOc1ccc([C@@H](O)CCC(=O)NN=Cc2ccc(OCc3ccc(Cl)cc3)cc2)cc1 1084235214 MJYFQJHPDLTUOK-VWLOTQADSA-N 466.965 5.282 50 10 JKGE Cc1cccc(NC(=O)/C(C#N)=C\c2ccccc2OCc2ccc(Br)cc2)c1C 1084384496 RBTCNINMQCBHRO-STZFKDTASA-N 461.359 6.191 50 10 JKGE O=C(NN=Cc1ccc(-c2cc(Cl)ccc2Cl)o1)c1cc(Br)ccc1O 1084502673 NUWOSVNJPNBXOY-UHFFFAOYSA-N 454.107 5.485 50 10 JKGE O=C(COc1ccc(Cl)cc1)NN=Cc1ccc(OC(=O)c2ccc(Cl)c(Cl)c2)cc1 1084553196 QKKRTLCGQRDZBP-UHFFFAOYSA-N 477.731 5.395 50 10 JKGE CCCCCCCCCCCC[C@@H](CCCI)CCCCCCCCCC 1772502287 OBUICBAVGZFGOA-SANMLTNESA-N 492.614 10.660 50 10 JKGE Cc1c(C(=O)Nc2cc(C(F)(F)F)ccc2Cl)oc2c1C(=NNC(=O)c1ccccc1)CCC2 1772744713 GVAPSEPUOLORBK-UHFFFAOYSA-N 489.881 5.983 50 10 JKGE Cc1c(C(=O)Nc2ccccc2Cl)oc2c1C(=NNC(=O)c1ccc(-c3ccccc3)cc1)CCC2 1772748478 YHOUYURQUUQQBQ-UHFFFAOYSA-N 497.982 6.631 50 10 JKGE Cc1ccc(COc2ccc(C=NNC(=O)CCCOc3ccc(C)cc3Br)cc2)cc1 1772756068 YJRLUGQMDMHQLU-UHFFFAOYSA-N 495.417 5.954 50 10 JKGE CCCCOc1ccc([C@@H]2C(C#N)=C(N)Oc3c2c(C)nn3Cc2c(F)cccc2Cl)cc1 1865692613 NZGGUXOLKONNSN-HSZRJFAPSA-N 466.944 5.429 50 10 JKGE CCOc1cc([C@H]2C(C#N)=C(N)Oc3c2c(CC)nn3-c2ccccn2)ccc1OCc1ccccc1 1865694616 XVXMZWXMRGFXEO-SANMLTNESA-N 493.567 5.026 50 10 JKGE CCc1nn(Cc2ccc(Cl)c(Cl)c2)c2c1[C@H](c1cn(C)c3ccccc13)C(C#N)=C(N)O2 1865699523 WFSATONBYCLNRE-QFIPXVFZSA-N 478.383 5.510 50 10 JKGE N#CC1=C(N)Oc2c(c(-c3ccccc3)nn2Cc2ccccc2Cl)[C@@H]1c1ccc(F)cc1F 1865702376 UKYNRONWCYPMNJ-JOCHJYFZSA-N 474.898 5.748 50 10 JKGE CCc1ccc([C@@H]2C(C#N)=C(N)Oc3c2c(CC)nn3Cc2ccc(Cl)c(Cl)c2)cc1 1865707367 VJXVGUHXZCIRMT-OAQYLSRUSA-N 453.373 5.581 50 10 JKGE CCCc1nn(-c2ccc(Cl)c(Cl)c2)c2c1[C@H](c1ccc(CC)cc1)C(C#N)=C(N)O2 1865708981 KODLIAPLBAKCKX-OAQYLSRUSA-N 453.373 5.912 50 10 JKGE CCc1ccc([C@H]2C(C#N)=C(N)Oc3c2c(C(F)(F)F)nn3Cc2c(F)cccc2Cl)cc1 1865709267 SLNFQZHAZMFISG-SFHVURJKSA-N 476.861 5.523 50 10 JKGE Cc1ccc(-n2nc(-c3ccccc3)c3c2OC(N)=C(C#N)[C@@H]3c2ccc(C(F)(F)F)cc2)cc1 1865711041 OONKREAWQPVJOK-QFIPXVFZSA-N 472.470 6.085 50 10 JKGE C[C@@H](Cl)C(=O)N(c1ccc(Cl)c(C(F)(F)F)c1)C1CCN(Cc2ccccc2)CC1 1865850177 BTRWXZJWWPXCSJ-OAHLLOKOSA-N 459.339 5.984 50 10 JKGE COC(=O)c1c(NC(=O)/C(C#N)=C/c2ccc(OC)c(OC)c2)sc2c1CC[C@@H](C(C)(C)C)C2 1866130106 AQRKFLSZAXTISM-ABPVARSCSA-N 482.602 5.249 50 10 JKGE N#CSc1ccc(NC(=O)[C@@H](Cc2ccc(F)cc2)NC(=O)C[C@H](c2ccccc2)C2CC2)cc1 1866712019 KPNSRESLXYJSRO-CLJLJLNGSA-N 487.600 5.649 50 10 JKGE C[C@H](Oc1ccc(Cl)cc1)/C(O)=C(\C#N)c1nc(-c2ccc(Br)cc2)cs1 1872746470 JLDXOQLTIIBZSX-LCIOQVQZSA-N 461.768 6.486 50 10 JKGE COc1ccc(-c2csc(/C(C#N)=C(\O)Cc3cc(Cl)ccc3Cl)n2)cc1Cl 1872756417 ZQNGISBMJILTRM-JXAWBTAJSA-N 451.762 6.814 50 10 JKGE COc1cc(Cl)c(C)cc1-c1csc(/C(C#N)=C(\O)c2c(Cl)ccc(Cl)c2OC)n1 1872757229 VQCXLIQKQVIFMQ-UNOMPAQXSA-N 481.788 7.046 50 10 JKGE CCCCCCCOc1ccc(-c2csc(/C(C#N)=C/c3cccc(OC)c3OCC)n2)cc1 1872791184 AIEYGYUNKDEMJE-PTGBLXJZSA-N 476.642 7.631 50 10 JKGE CCN(CC)c1ccc(/C=C(\C#N)c2nc(-c3cc(Cl)c(OC)cc3OC)cs2)cc1 1872793628 KMAUGKGMFPLTDX-GZTJUZNOSA-N 453.995 6.391 50 10 JKGE COc1cc(/C=C(\C#N)c2nc(-c3cc(Cl)c(OC)c(Cl)c3)cs2)cc(OC)c1O 1872794722 RZHYREGURZQXOC-YIXHJXPBSA-N 463.342 5.912 50 10 JKGE COc1cc(/C=C/C(O)=C(\C#N)c2nc(-c3cccc([N+](=O)[O-])c3)cs2)ccc1OC(C)=O 1873941005 RNDZREKBLZKXEH-PTYIPUSCSA-N 463.471 5.158 50 10 JKGE CC(C)[C@H](CCl)N(Cc1ccccc1)C(=O)Cc1ccccc1I 1915257022 HBQSQFIAOQWPOB-IBGZPJMESA-N 455.767 5.126 50 10 JKGE Cc1c(Br)sc([C@@H](Br)c2ccccc2C(F)(F)F)c1Br 1922885172 ONKKPUCBDKYPSY-JTQLQIEISA-N 492.980 7.085 50 10 JKGE CCOc1ccccc1[C@H](Br)c1sc(Br)c(C)c1Br 1922903716 YKYUBMGFENMSPV-LBPRGKRZSA-N 469.036 6.465 50 10 JKGE Fc1c(Cl)cccc1[C@H](Br)c1c(Br)sc(Br)c1Cl 1923054988 MXUCKHPUBKJCOJ-ZETCQYMHSA-N 497.836 7.203 50 10 JKGE Clc1c(Br)sc(Br)c1[C@@H](Br)c1cc2c(s1)CCC2 1923055581 VYBQOYLSKBWBOU-VIFPVBQESA-N 491.495 6.961 50 10 JKGE Clc1c(Br)sc(Br)c1[C@H](Br)[C@H]1CC12CCCC2 1923075286 ZIXKIXJGIARYTI-HTRCEHHLSA-N 463.460 6.943 50 10 JKGE CCc1cc(Br)c([C@@H](Br)c2cc(C)c(Br)s2)s1 1942101011 FNNQUMRMNQDECE-JTQLQIEISA-N 459.066 6.690 50 10 JKGE C[C@@H]1CCO[C@@H]1C[C@H](Br)c1c(Br)sc(Br)c1Cl 1951104705 GOAQMNVWUGPQGN-DSYKOEDSSA-N 467.448 6.178 50 10 JKGE CCOC1([C@@H](Cl)c2c(Br)sc(Br)c2Br)CC1 1979427530 RLXWIESOFKEYOX-ZETCQYMHSA-N 453.421 5.885 50 10 JKGE Fc1ccc([C@H](Br)c2cc(I)sn2)c(F)c1Cl 2007647325 IRPDUEREANIPSH-QMMMGPOBSA-N 450.473 5.164 50 10 JKGE CCc1cc(Br)c([C@@H](Br)c2cccc(Br)c2C)s1 2029235933 UARYOIWRSHIKKQ-ZDUSSCGKSA-N 453.037 6.628 50 10 JKGE Brc1cscc1[C@H](Br)c1cc(Br)c2c(c1)CCO2 2030023781 YJNIVDIVJHDODY-GFCCVEGCSA-N 452.993 5.692 50 10 JKGE CCOc1cc(C=C(C#N)c2nc3ccccc3s2)ccc1OC(=O)c1ccc(OC)cc1 2040466909 RWFUTTYMJNWVAS-UHFFFAOYSA-N 456.523 5.987 50 10 JKGE Clc1c(Br)sc(Br)c1[C@@H](Br)[C@@H]1[C@H]2CCCCC[C@H]21 2048337140 KJXGWASPFITZML-WHQQTDPMSA-N 477.487 7.189 50 10 JKGE Cc1nc([C@@H](Br)[C@H](C)c2ccncc2Br)c(Br)s1 2050331629 PHJQJNLQGHKURV-LDWIPMOCSA-N 455.013 5.611 50 10 JKGE Brc1cc(Br)c([C@H](Br)c2ccc3nsnc3c2)s1 2057037228 RBFBXPOETYBNGM-SNVBAGLBSA-N 469.021 5.762 50 10 JKGE CCCN[C@H](c1sc(Br)c(C)c1Br)[C@H]1C[C@@H](Br)C1 2076183830 KFXMWEFKXJCHGX-NGZCFLSTSA-N 460.073 5.796 50 10 JKGE CN(CC1CC(Br)C1)C(=O)c1ccc(Br)cc1NC(=O)OC(C)(C)C 2076219629 CYVNXXOHTMXLDA-UHFFFAOYSA-N 476.209 5.042 50 10 JKGE COc1cc(Cl)c([C@H](Cl)c2cscc2OCc2ccccc2)cc1Br 2082381661 GRSDOSYIWADFPP-IBGZPJMESA-N 458.204 7.080 50 10 JKGE FC[C@]12C[C@]([C@H](Br)c3c(Br)sc(Br)c3Cl)(CO1)C2 2082593373 CDBRGMHGSJFQRS-AVPPRXQKSA-N 483.422 5.881 50 10 JKGE Fc1ccc(F)c([C@H](Cl)c2c(Br)sc(Br)c2Br)c1 2083094795 HIKLFEGUAOAFNV-VIFPVBQESA-N 481.381 6.642 50 10 JKGE Cc1cc(Br)c([C@@H](Br)[C@@H]2CC[C@H]3C[C@H]2CO3)cc1Br 2089071336 TYJLZFDGQIBZBM-ZVXAKGHKSA-N 453.012 5.771 50 10 JKGE Fc1cc(Br)ccc1[C@H](Br)c1cc(C2CC2)c(Br)s1 2094674709 YKOVXWQBMYQRNB-ZDUSSCGKSA-N 469.011 6.774 50 10 JKGE O=S(=O)(c1cc(CCl)ccc1Br)N(CCC(F)(F)F)Cc1ccccc1 2095875786 OGRIOEOSSCLTMQ-UHFFFAOYSA-N 470.738 5.331 50 10 JKGE CC1(C)CCC[C@H]([C@H](Br)c2c(Br)sc(Br)c2Cl)CC1 2100837961 HNYQFOAXIHCTLX-WPRPVWTQSA-N 493.530 7.969 50 10 JKGE CC[C@H]1CN(C(=O)OCc2ccccc2)[C@@H](CC)CN1CC1(CBr)CCCCC1 2106705256 CAJCYBIARYMAST-VXKWHMMOSA-N 465.476 5.843 50 10 JKGE Clc1ccc(CC[C@@H](Br)c2cccc(Br)c2)c(Br)c1 2113485809 WWVHIJYZEPVKPE-CQSZACIVSA-N 467.426 6.934 50 10 JKGE Fc1c(C[C@H](Br)c2cccc(Br)c2)ccc(Br)c1Cl 2113489541 PWTLIYRYUBFXSX-LBPRGKRZSA-N 471.389 6.683 50 10 JKGE Cc1c(Br)ccc([C@@H](Br)C2(C(F)(F)F)CCC2)c1Br 2138868116 ZTUQIHPDBJWKIJ-LLVKDONJSA-N 464.945 6.689 50 10 JKGE Fc1cc(Cl)c([C@H](Br)c2cc(I)ccc2F)cc1Cl 2139429148 OSDDOQRBDRXBJM-ZDUSSCGKSA-N 477.901 6.361 50 10 JKGE Fc1cc(F)c([C@H](Cl)c2ccc(Br)cc2I)cc1F 2142288981 WUVKQLZXTMBUHP-CYBMUJFWSA-N 461.446 5.799 50 10 JKGE Cl[C@@H](c1cc2c(cc1Br)OCC2)c1cccc(Br)c1Br 2148753429 RXMZBFNMZAIAPW-OAHLLOKOSA-N 481.409 6.237 50 10 JKGE BrCc1ccc(N2C[C@@]34CCC[C@]3(CN(Cc3ccccc3)C4)C2)cc1Br 2153341300 OBKHNCUTPRTGIO-GOTSBHOMSA-N 490.283 5.837 50 10 JKGE ClCc1ccc(Br)c(Cl)c1N1CCC2(CCN(Cc3ccccc3)CC2)C1 2154365553 WMPHFBVSEMLSHL-UHFFFAOYSA-N 468.266 6.334 50 10 JKGE CC(C)(CBr)[C@@H]1CCCN1C(=O)c1c(Br)cccc1Br 2155842509 XINQRSJSXLFYOJ-LBPRGKRZSA-N 468.027 5.237 50 10 JKGE CCOc1ccc([C@@H](Br)c2c(Cl)cccc2Br)cc1Br 2169465219 SUJZCXDXSGRFTG-OAHLLOKOSA-N 483.425 6.748 50 10 JKGE Fc1ccc(I)cc1[C@@H](Br)c1c(F)c(F)cc(F)c1F 2169665925 ZPCQHJUEAKTLHB-LLVKDONJSA-N 462.981 5.471 50 10 JKGE O=C(c1ccc(I)c(Cl)c1)N(CCBr)Cc1cccs1 2171091234 WQFWFXSOZFMQSQ-UHFFFAOYSA-N 484.584 5.043 50 10 JKGE CCN(CCCOCc1ccccc1)S(=O)(=O)c1cc(Cl)cc(CBr)c1C 2179863925 UBHASNGOUURCMC-UHFFFAOYSA-N 474.848 5.161 50 10 JKGE COC[C@H]1CC[C@@H](COc2c(Br)cc(CBr)cc2Br)C1 2181928138 XQPASDUFLBTUPL-WDEREUQCSA-N 471.027 5.548 50 10 JKGE CC1(C)[C@H]2CC[C@@H](C2)[C@@]1(CBr)Cc1ccc(I)c(Cl)c1 2208033617 QNWFRWOVTZENCZ-DCGLDWPTSA-N 467.616 6.325 50 10 JKGE Cc1sc(Br)cc1[C@@H](Br)c1sc(C)c(C)c1Br 2215946241 UKGXJVWULWBDDB-LLVKDONJSA-N 459.066 6.744 50 10 JKGE F[C@H]([C@@H](Br)c1c(Br)cc(Cl)c(Cl)c1Cl)C(F)(F)F 2217608834 SHYPFBBRNFTJEZ-YLWLKBPMSA-N 453.282 6.746 50 10 JKGE CCOCc1cc(Br)c([C@@H](Cl)c2cccc(I)c2)s1 2224797180 VAZGQLSMUBOVAI-ZDUSSCGKSA-N 471.585 5.980 50 10 JKGE Cc1sc([C@H](Br)c2cc(Br)c(Cl)cc2F)c(C)c1Br 2226077168 AGFFCCBQQMGCAQ-GFCCVEGCSA-N 491.445 7.167 50 10 JKGE COc1c(Cl)cc(Br)cc1[C@H](Br)c1cc(Br)c(C)s1 2226089494 PXOHFSWSWGYJSY-LBPRGKRZSA-N 489.454 6.728 50 10 JKGE Cc1cc(Br)c([C@H](Br)[C@H]2C[C@H]2C2CCC2)c(C)c1Br 2227359479 IMSOZHURAJLVMP-MQIPJXDCSA-N 451.040 6.701 50 10 JKGE Cc1cc(Br)c([C@H](Br)c2cccc(Br)c2F)c(C)c1Cl 2232525778 FBQCGOSODMIPGI-CYBMUJFWSA-N 485.416 7.105 50 10 JKGE COc1c(C(C)C)cc(Br)cc1[C@@H](Br)c1ccc(Br)o1 2233160673 XNNHXUJJIJKESI-CQSZACIVSA-N 466.995 6.421 50 10 JKGE Clc1cc(Br)c([C@H](Br)[C@@H]2OC[C@@H]3CCC[C@H]32)c(Cl)c1Cl 2233182953 HUNSTURSWXEQMN-NCTMGDSKSA-N 463.424 6.660 50 10 JKGE Cc1c(Br)sc([C@H](Br)C2CC3(CC(F)C3)C2)c1Br 2259485521 PQRXWFVASLARJA-UUZPLNBFSA-N 461.032 6.546 50 10 JKGE Fc1cc(C[C@H](Br)c2cc(Br)sc2Br)ccc1Cl 2263382617 PACINHRPKQKMNO-QMMMGPOBSA-N 477.418 6.744 50 10 JKGE Fc1cc(Br)c(F)c(Br)c1[C@H](Br)[C@H]1C(F)(F)C12CC2 2272748120 ROFKXISMTFUKJL-WCBMZHEXSA-N 466.892 5.971 50 10 JKGE Fc1cc(Br)c(F)c(Br)c1[C@@H](Br)CC1CC(F)(F)C1 2272847381 MUBCDCZXDNPWFT-LURJTMIESA-N 468.908 6.361 50 10 JKGE Cc1cc(Cl)cc([C@H](Br)Cc2cc(Br)cc(Br)c2)c1 2277961842 YVIQBBQAZRPYCU-OAHLLOKOSA-N 467.426 6.852 50 10 JKGE Clc1cc([C@H](Cl)c2cc3sc(Br)cc3s2)ccc1Br 2278095824 FUTLDCSEBZJMST-ZDUSSCGKSA-N 457.039 7.469 50 10 JKGE Cc1cc(Br)c([C@H](Br)c2cc(F)cc(Br)c2)c(C)c1F 2279147095 REKAZLHCILCGRC-CQSZACIVSA-N 468.961 6.591 50 10 JKGE COc1cc(Br)c(Oc2cc(C)nc(CBr)c2)cc1Br 2288398813 DWLRBJZHHNLWFM-UHFFFAOYSA-N 465.967 5.611 50 10 JKGE CSCC1(CC(CBr)(CBr)c2ccc(Br)cc2)CCC1 2289817284 PROUTJWFZMELRC-UHFFFAOYSA-N 485.123 6.400 50 10 JKGE Cc1ccc(NC(=O)C(C#N)=C2S[C@@H](Cc3ccc(Cl)cc3)C(=O)N2c2ccccc2)cc1 2296506818 GMIAEOOYPGAMPI-QHCPKHFHSA-N 473.985 5.713 50 10 JKGE COc1ccc(NC(=O)C(C#N)=Cc2cn(CCOc3ccc(C(C)(C)C)cc3)c3ccccc23)cc1 2296968806 UJFBCZVWMOLBPT-UHFFFAOYSA-N 493.607 6.572 50 10 JKGE N#CC(=Cc1cccc(Oc2ccccc2)c1)C(=O)Nc1ccc([N+](=O)[O-])cc1Br 2297551657 XKUCTKKFMUOSOS-UHFFFAOYSA-N 464.275 5.695 50 10 JKGE CC1(C)C[C@H]1CC[C@@H](Br)c1cc(Br)ccc1OCc1ccccc1 2299530507 MONDPTJSWNQNCC-VQIMIIECSA-N 452.230 7.290 50 10 JKGE Cc1ccc(NC(=O)C(C#N)=Cc2cn(Cc3ccc(Cl)c(Cl)c3)c3ccccc23)cc1 2313568234 QAKZKUBZOKSCKD-UHFFFAOYSA-N 460.364 6.851 50 10 JKGE Cc1ccc(COc2c(Cl)cc(C=C(C#N)C(=O)Nc3ccc(C)cc3)cc2Cl)cc1 2313568409 RVBIQDCLBCAWPW-UHFFFAOYSA-N 451.353 6.735 50 10 JKGE CCOc1cc(C=C(C#N)C(=O)Nc2cccc(Cl)c2Cl)c(Br)cc1OCC#N 2313570970 KLLJHMYTFBSEDY-UHFFFAOYSA-N 495.160 5.603 50 10 JKGE CC(C)Oc1ccc(Br)cc1C=C(C#N)C(=O)Nc1cccc(C(F)(F)F)c1 2313670495 AWCAPKHXTYFXCH-UHFFFAOYSA-N 453.258 5.801 50 10 JKGE N#CC(=Cc1ccc(OCc2ccc(Cl)c(Cl)c2)cc1)C(=O)Nc1cccc([N+](=O)[O-])c1 2313681158 NUGILQSNNLXDSI-UHFFFAOYSA-N 468.296 6.026 50 10 JKGE CC1(C)[C@H]2CO[C@]1([C@@H](Br)c1cc(Br)ccc1OCc1ccccc1)C2 2314443963 LURUDZAXMWGMSL-JJXUHFIVSA-N 466.213 6.279 50 10 JKGE FC(F)(F)[C@@H]1CC[C@H]1[C@@H](Br)c1ccc(OCc2ccccc2)cc1Br 2314444680 OGORDLZQBFWSAZ-QGPMSJSTSA-N 478.146 7.053 50 10 JKGE CC(C)C[C@@H](C(C)C)[C@@H](Br)c1cc(Br)ccc1OCc1ccccc1 2314455430 OSOGEWLSSLYDMH-SIKLNZKXSA-N 468.273 7.782 50 10 JKGE CCCOc1ccc(-c2nn(-c3ccccc3)cc2C=C(C#N)C(=O)N2CCCCC2)cc1Cl 2314476351 NFHURNAIIIQIOK-UHFFFAOYSA-N 474.992 5.901 50 10 JKGE N#CC(=Cc1ccc(-c2cccc(Cl)c2)o1)c1nc(-c2cc3ccccc3oc2=O)cs1 2314571329 DRGZZFSKOHNRHN-UHFFFAOYSA-N 456.910 6.894 50 10 JKGE COc1cc(C=C2C(=O)N(Cc3ccco3)C(=O)C(C#N)=C2C)ccc1OCc1ccc(Cl)cc1 2314618364 LZHLGUIJYAFHIZ-UHFFFAOYSA-N 488.927 5.313 50 10 JKGE CCOC(=O)C(C#N)=Cc1ccc(OC(=O)c2cc3cc(Br)ccc3o2)c(OCC)c1 2314792487 GGZKQVYSTDCDKA-UHFFFAOYSA-N 484.302 5.283 50 10 JKGE COc1c(C)cc(Br)cc1[C@@H](Br)c1cnsc1Br 2315644071 LSETUWHNKNFTBC-SNVBAGLBSA-N 455.997 5.469 50 10 JKGE Fc1cc(Br)ccc1C[C@@H](Cl)c1sc(Cl)cc1I 2316603363 URVAZUGQGRXHRB-MRVPVSSYSA-N 479.967 6.430 50 10 JKGE O=C(NN=Cc1cccc(OCc2ccc(Cl)cc2Cl)c1)c1ccc2[nH]c3c(c2c1)CCCC3 2321672226 OMSVRXZYTHLVPY-UHFFFAOYSA-N 492.406 6.696 50 10 JKGE CCOc1cc(C=NNC(=O)c2ccc(O)cc2)ccc1OCc1ccc(Cl)c(Cl)c1 2323087072 FSUNLEKEMPWMIN-UHFFFAOYSA-N 459.329 5.441 50 10 JKGE N#CC(=C(O)c1c(Cl)ccc(Cl)c1Cl)c1nc(-c2cccc([N+](=O)[O-])c2)cs1 2331235098 PLCMPFOYJUGNRJ-UHFFFAOYSA-N 452.706 6.628 50 10 JKGE CCc1cccc(C)c1N1C[C@H](C(O)=C(C#N)c2nc(-c3ccc(F)cc3F)cs2)CC1=O 2331286503 BCAZIXMWOIREMY-MRXNPFEDSA-N 465.525 5.805 50 10 JKGE CC(C)(C)c1ccc(-c2csc(C(C#N)=C(O)c3cc([N+](=O)[O-])cc([N+](=O)[O-])c3)n2)cc1 2331332892 YVHKOMQGIYBVJC-UHFFFAOYSA-N 450.476 5.874 50 10 JKGE CCCCc1ccc(-c2csc(C(C#N)=Cc3cccc(OCc4ccccc4)c3)n2)cc1 2331430239 XESUZHVAJGNIAK-UHFFFAOYSA-N 450.607 7.796 50 10 JKGE CCCCCOc1ccc(C=C(C#N)c2nc(-c3cc(C(C)(C)C)ccc3C)cs2)cc1OCC 2331478679 VHZGEUFPZQUDHQ-UHFFFAOYSA-N 488.697 8.448 50 10 JKGE COc1cc(Br)cc(C=C(C#N)c2nc(-c3cc(Cl)ccc3Cl)cs2)c1O 2331488516 BHMKOCDWBGBUTM-UHFFFAOYSA-N 482.186 6.658 50 10 JKGE CCc1nn(C)c([C@H](Br)c2cc(Br)ccc2OCc2ccccc2)c1Cl 2336043141 CRHVKEVMHYGJLY-GOSISDBHSA-N 498.646 6.462 50 10 JKGE Cc1cc(Cl)c(Cl)cc1[C@H](Cl)c1cc(Br)ccc1OCc1ccccc1 2336044016 KGMDHIDXQPNRJW-NRFANRHFSA-N 470.621 7.972 50 10 JKGE CC1CC(CBr)(CN(C)Cc2c(Br)cccc2Br)C1 2340634209 DSQZHJQVEMIETE-UHFFFAOYSA-N 454.044 5.455 50 10 JKGE Clc1ccc(C[C@@]2(CBr)CC23CCCCC3)c(I)c1 2341053624 YUVNSMKSASAXIE-INIZCTEOSA-N 453.589 6.223 50 10 JKGE CC[C@@H]1C[C@H]1C[C@H](Br)c1c(C)cc(Br)c(OC)c1Br 2343387938 MKKMTTDJJJGOPZ-VWYCJHECSA-N 455.028 6.401 50 10 JKGE ClCC1(NCc2ccc(I)c(Br)c2)CCCCCC1 2349824797 ALOSNQGKKCBMIB-UHFFFAOYSA-N 456.593 5.475 50 10 JKGE ClCCC[C@H]1CCCCN1Cc1ccc(I)c(Br)c1 2349862199 YPIUCIOXTJNKNX-CYBMUJFWSA-N 456.593 5.427 50 10 JKGE Cc1cc(I)c(O[C@@H]2C[C@@H](Br)[C@H]2OCC(C)C)cc1Cl 2361689037 HIIPHYRBTKBDLD-VCTAVGKDSA-N 473.576 5.209 50 10 JKGE Cc1cc([C@@H](Br)c2c(C)cc(Br)c(F)c2Br)ccc1Cl 2365187030 WPDREFRLGMOYIK-CYBMUJFWSA-N 485.416 7.105 50 10 JKGE COc1c(Br)cc(C)c([C@@H](Br)[C@@H]2COC(C)(C)C2)c1Br 2365191016 KLIFJKLEUHHYAG-CABZTGNLSA-N 471.027 5.780 50 10 JKGE CCc1cc(Br)c(OC)c([C@@H](Br)c2c(Br)ncn2C)c1 2381259036 YMEDGRRHGKJICR-LLVKDONJSA-N 466.999 5.000 50 10 JKGE COc1c(OCc2c(C)cc(C)cc2C)cccc1[C@@H]1[C@@H]2CCCC=C2C(C#N)=C(N)C1(C#N)C#N 1457020 FCRRCGGEMZDDTE-AMGIVPHBSA-N 478.596 5.793 50 10 JKGE CC(C)c1ccc(-c2csc3nc(SCC(=O)N/N=C/c4ccc(Cl)cc4)[nH]c(=O)c23)cc1 9043037 KTOJXSBLFBAUAF-KBKYJPHKSA-N 497.045 5.671 50 10 JKGE CCOC(=O)c1c(-n2c(C)cc(/C=C(/C#N)C(=O)Nc3ccc(F)cc3)c2C)sc2c1CCCC2 33406403 AHOHHHHHHXKHEY-RGEXLXHISA-N 491.588 5.896 50 10 JKGE N#C/C(=C/c1ccc(-c2cccc(C(F)(F)F)c2)o1)c1nc(-c2cc3ccccc3oc2=O)cs1 33471780 YVIAHGCPYQAPOT-BOPFTXTBSA-N 490.462 7.259 50 10 JKGE O=C(N/N=C\c1cc(Br)ccc1OC(=O)c1ccc(Cl)cc1)c1ccccc1 33590824 ZYVACFHPMNNOAC-CFRMEGHHSA-N 457.711 5.086 50 10 JKGE Cc1cc(Br)c(NC(=O)/C(C#N)=C\c2c[nH]c3ccccc23)c(Br)c1 33888456 VYWRDHHFWOQUSW-WQLSENKSSA-N 459.141 5.547 50 10 JKGE CCCCCCN1C(=O)C(C#N)=C(C)/C(=C\c2ccc(OCc3ccccc3F)c(OC)c2)C1=O 38604223 RHRNYESTICJOKS-PXLXIMEGSA-N 476.548 5.586 50 10 JKGE CC(C)Oc1ccc(C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@H]3c2ccccc2Cl)cc1 38651038 QUQVESAPBUJPEN-DEOSSOPVSA-N 460.917 5.565 50 10 JKGE COc1ccc(OC)c([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)Cc4cccc5ccccc45)ccc32)c1 38659868 NYHOFCVAOUSNKM-LJAQVGFWSA-N 492.531 5.223 50 10 JKGE Cc1ccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4oc5cc(C)c(Cl)cc5c4C)ccc32)cc1 38687004 JDSSMIUTPFPNKO-RUZDIDTESA-N 484.939 6.449 50 10 JKGE Cc1cc2oc(C(=O)Oc3ccc4c(c3)OC(N)=C(C#N)[C@@H]4c3ccco3)c(C)c2cc1Cl 38688513 PYRSWKRLMUSRGR-JOCHJYFZSA-N 460.873 5.733 50 10 JKGE CCOc1cc(/C=N\NC(=O)CC[C@@H](O)c2ccccc2)ccc1OCc1cccc2ccccc12 58890374 SPZCOFPFLXQUQZ-CMKSJBIWSA-N 482.580 5.781 50 10 JKGE C=CCc1cc(/C=N/NC(=O)c2ccc(-n3c(C)ccc3-c3ccccc3)cc2)ccc1OCC(=O)O 59304526 YAALBXNTVZXUNC-ZCTHSVRISA-N 493.563 5.409 50 10 JKGE COc1ccc(/C(C)=N/NC(=O)c2ccccc2OCc2ccc(Br)cc2)c(OC)c1 96095878 QLWUHAXXKBZYRM-WGOQTCKBSA-N 483.362 5.199 50 10 JKGE N#C/C(=C/c1ccc(OC(=O)/C=C/c2ccc([N+](=O)[O-])s2)cc1)c1nc2ccccc2s1 97542412 WVYMTRWHZYVWNY-YCNRLPBWSA-N 459.508 5.949 50 10 JKGE CCCCCCCOc1ccc(/C=C2/C(=O)N(CCCCCC)C(=O)C(C#N)=C2C)cc1OCC 101333673 OQGWJYKLGOLMJE-LYBHJNIJSA-N 480.649 6.607 50 10 JKGE CCCCCCCOc1ccc(/C=C(/C#N)C(=O)Nc2ncc(Cc3ccccc3)s2)cc1 102973945 DWLOPCCLASTVAD-QJOMJCCJSA-N 459.615 6.629 50 10 JKGE Cc1ccc(Oc2nc3ccccn3c(=O)c2/C=C(/C#N)S(=O)(=O)c2ccc(Cl)cc2)c(C)c1 102990571 XWANQBBMGGURJR-ZHZULCJRSA-N 491.956 5.095 50 10 JKGE Clc1ccc(CC(CBr)(CBr)c2ccc(Br)cc2)cc1 118878510 WBHNXFFTDHBFLM-UHFFFAOYSA-N 481.453 6.373 50 10 JKGE Cc1cc(Br)c([C@H](Br)c2ccc(Cl)cc2F)cc1Br 128840505 LJLLEIMWYRWDIY-CQSZACIVSA-N 471.389 6.797 50 10 JKGE CCCCCCCCCCCCCC(=O)NCC(=O)N/N=C/c1cc2ccccc2nc1Cl 198742976 YLLOAZNQBFFZAT-VUTHCHCSSA-N 473.061 6.156 50 10 JKGE CCOC(=O)/C(C#N)=C\c1cccc(OC(=O)COc2ccc(C(C)(C)c3ccccc3)cc2)c1 206737425 MZSROWPMHIGZQH-XLNRJJMWSA-N 469.537 5.467 50 10 JKGE COC(=O)c1c(NC(=O)/C(C#N)=C\c2ccc(-c3ccc(C)cc3[N+](=O)[O-])o2)sc2c1CCCC2 209397473 UVTVEZSIPOUWFF-QINSGFPZSA-N 491.525 5.436 50 10 JKGE CCCCOC(=O)c1ccccc1N/C=C(/C#N)C(=O)NC(c1ccccc1)c1ccccc1 216974831 CJZWUMCHAOPTHE-ATJXCDBQSA-N 453.542 5.369 50 10 JKGE C[C@H](NC(=O)/C(C#N)=C\Nc1cc(C(F)(F)F)cc(C(F)(F)F)c1)c1ccc2c(c1)CCCC2 217203216 MAXHBZYSQHGQOA-RVAQLADHSA-N 481.440 6.300 50 10 JKGE CCCCOC(=O)c1ccccc1NC(=O)/C(C#N)=C\NC(c1ccccc1)c1ccccc1 217240260 YLXCCSHGDASIQE-ATJXCDBQSA-N 453.542 5.369 50 10 JKGE Brc1ccc(C[C@H](Br)c2ccc(Br)cc2Br)cc1 232473628 LYYKIDAYTLVXJV-ZDUSSCGKSA-N 497.850 6.653 50 10 JKGE BrCc1cc(Br)ccc1Oc1ccc(I)cc1 232479316 CKABDAKEDSWBST-UHFFFAOYSA-N 467.926 5.741 50 10 JKGE COc1ccc(CC(=O)NN=C(C)c2ccc(NC(=O)c3ccc(C(C)(C)C)cc3)cc2)cc1 252612648 IUHAQXLCEKVEBB-UHFFFAOYSA-N 457.574 5.328 50 10 JKGE Brc1cc2c(cc1[C@@H](Br)c1ccc(OCc3ccccc3)cc1)CCO2 308433991 IROHANPZWMGRKE-QFIPXVFZSA-N 474.192 6.447 50 10 JKGE C[C@@H](Cl)c1nc2cc(I)c(F)cc2n1C[C@@H]1CCN(Cc2ccccc2)C1 380195778 FGARGDFGHCNMPF-GDBMZVCRSA-N 497.783 5.602 50 10 JKGE CCCOc1ccc([C@@H](Br)c2cc(Br)oc2C)cc1Br 396613812 UWZMFVUXDWRGGM-OAHLLOKOSA-N 466.995 6.386 50 10 JKGE CC(C)(C)c1ccc([C@@H](Br)c2cccc(F)c2I)s1 721685687 WMYUTMDCVWEIAD-ZDUSSCGKSA-N 453.158 6.274 50 10 JKGE CC(=O)Nc1cccc(C(C)=NNC(=O)c2ccc(CSc3ccc(Cl)cc3)cc2)c1 1083922641 QZHIPSQIMZVRFH-UHFFFAOYSA-N 451.979 5.745 50 10 JKGE C=CCc1cc(/C=C(\C#N)C(=O)Nc2cccc(Cl)c2Cl)ccc1OCc1cccc(F)c1 1084025703 QJJLJOBZFYCFMF-DEDYPNTBSA-N 481.354 6.986 50 10 JKGE C=CCOc1c(I)cc(/C=C(\C#N)C(=O)Nc2cc(C)ccc2C)cc1OC 1084404866 LAQOSUDTNDUSMT-LICLKQGHSA-N 488.325 5.027 50 10 JKGE C=CCc1cc(C=NNC(=O)CC[C@H](O)c2ccccc2)ccc1OCc1ccc(Cl)c(Cl)c1 1084428768 BFLJEPZSRDTLCN-VWLOTQADSA-N 497.422 6.265 50 10 JKGE CCOC(=O)COc1c(Cl)cc(/C=C(\C#N)C(=O)Nc2cccc(Cl)c2Cl)cc1Cl 1084589149 GCKMOQQMNYXCAE-WUXMJOGZSA-N 488.154 5.788 50 10 JKGE C=CCOc1ccc(-n2c(C)cc(C=NNC(=O)CC[C@@H](O)c3ccc(OCC)cc3)c2C)cc1 1084596251 BSUZESADNSJAQR-HHHXNRCGSA-N 475.589 5.022 50 10 JKGE Cc1c(C(=O)NCc2ccccc2)oc2c1C(=NNC(=O)c1ccc(Cl)cc1Cl)CCC2 1772749267 ZCNOKBXVDUAXRC-UHFFFAOYSA-N 470.356 5.295 50 10 JKGE CCCc1ccc(OCC(=O)NN=Cc2c(OC)ccc3ccccc23)c(Br)c1 1772755677 CRGOISZWBOTGBK-UHFFFAOYSA-N 455.352 5.093 50 10 JKGE CCCc1nn(Cc2cccc(Cl)c2)c2c1[C@@H](c1ccc(C(C)(C)C)cc1)C(C#N)=C(N)O2 1865682205 IUWMDERYVHLBML-QHCPKHFHSA-N 461.009 6.053 50 10 JKGE CCCc1nn(Cc2ccc(Cl)cc2)c2c1[C@@H](c1c(F)cccc1Cl)C(C#N)=C(N)O2 1865682773 XHECCCDQRYDNQY-LJQANCHMSA-N 457.336 5.548 50 10 JKGE Cc1ccc([C@H]2C(C#N)=C(N)Oc3c2c(-c2ccccc2)nn3-c2cccc3ccccc23)cc1 1865685543 JWWXJJOTQPWLPL-SANMLTNESA-N 454.533 6.219 50 10 JKGE CCc1nn(Cc2ccc(Cl)cc2)c2c1[C@@H](c1ccc(Cl)c(Cl)c1)C(C#N)=C(N)O2 1865686236 SQDILGZNGBWNLD-IBGZPJMESA-N 459.764 5.672 50 10 JKGE CCCc1nn(Cc2ccccc2Cl)c2c1[C@@H](c1c(Cl)cccc1Cl)C(C#N)=C(N)O2 1865686709 YUEUHPLUXDIUFT-LJQANCHMSA-N 473.791 6.062 50 10 JKGE COc1cc([C@@H]2C(C#N)=C(N)Oc3c2c(C)nn3Cc2ccccc2)ccc1OCc1ccccc1 1865686844 CGTYSIQYABAUQJ-HHHXNRCGSA-N 478.552 5.046 50 10 JKGE CCOc1cccc([C@@H]2C(C#N)=C(N)Oc3c2c(C(F)(F)F)nn3Cc2cc(C)ccc2C)c1 1865690081 IHZPDBXAFDVPID-HXUWFJFHSA-N 468.479 5.184 50 10 JKGE C=CCOc1ccccc1[C@H]1C(C#N)=C(N)Oc2c1c(-c1ccccc1)nn2Cc1ccccc1Cl 1865691045 HVUPUVOJGWNJJC-VWLOTQADSA-N 494.982 6.035 50 10 JKGE CCCOc1cccc([C@H]2C(C#N)=C(N)Oc3c2c(-c2ccccc2)nn3-c2ccccc2Cl)c1 1865694487 WFTZEWPTNPUZBI-DEOSSOPVSA-N 482.971 6.200 50 10 JKGE CCCc1nn(CCC)c2c1[C@H](c1ccc(OCc3ccccc3C)c(OCC)c1)C(C#N)=C(N)O2 1865702440 AJLDKFVNHYNGOW-AREMUKBSSA-N 486.616 5.750 50 10 JKGE CCc1nn(Cc2ccccc2)c2c1[C@H](c1ccccc1OCc1ccccc1Cl)C(C#N)=C(N)O2 1865702494 AZTGUCBPAQAOBM-AREMUKBSSA-N 496.998 5.944 50 10 JKGE CCc1nn(Cc2ccc(C)cc2)c2c1[C@H](c1ccc(OCc3ccccc3C)cc1)C(C#N)=C(N)O2 1865702978 JWYPNPCEXABMTJ-MUUNZHRXSA-N 490.607 5.908 50 10 JKGE CCCc1nn(-c2ccccc2Cl)c2c1[C@@H](c1ccc(Cl)c([N+](=O)[O-])c1)C(C#N)=C(N)O2 1865706152 OZJBKOOGWMBRCB-IBGZPJMESA-N 470.316 5.258 50 10 JKGE N#CC1=C(N)Oc2c(c(-c3ccccc3)nn2-c2cccc3ccccc23)[C@@H]1c1ccc(F)cc1 1865707736 DYUDGXAQMXDQAC-RUZDIDTESA-N 458.496 6.050 50 10 JKGE COC(=O)c1ccc([C@H]2C(C#N)=C(N)Oc3c2c(-c2ccccc2)nn3-c2cccc3ccccc23)cc1 1865708883 IHHPQAVQFYMLBT-SANMLTNESA-N 498.542 5.697 50 10 JKGE COc1ccc(-c2nn(-c3ccc(OC)cc3)c3c2[C@@H](c2cccc(C)c2)C(C#N)=C(N)O3)cc1 1865710596 CGLKCJOOHVTSFE-DEOSSOPVSA-N 464.525 5.083 50 10 JKGE Cc1cccc(OCCCC(=O)NNC(=O)c2ccc(-c3ccc(Cl)c(Cl)c3)nc2C)c1 1865759371 XBFMYKWJVNIOLO-UHFFFAOYSA-N 472.372 5.292 50 10 JKGE CCCOc1ccc(-c2csc(NC(=O)/C(C#N)=C/c3ccccc3)c2C(=O)OCC)cc1 1865911393 GUTLGQGEXWZRAW-HMMYKYKNSA-N 460.555 5.926 50 10 JKGE CC[C@](C)(NC(=O)c1ccc(-c2cc3ccccc3[nH]2)cc1)C(=O)Nc1ccc(SC#N)cc1 1867063875 MNJRRCRWMWZGSN-MHZLTWQESA-N 468.582 5.945 50 10 JKGE C[C@@H]1c2[nH]cnc2CCN1c1cc(Nc2ccc(SC#N)cc2)nc(Cc2ccccc2)n1 1868207089 FTPHQSLKIWJBJM-QGZVFWFLSA-N 453.575 5.231 50 10 JKGE C[C@H](Oc1ccc(Cl)cc1Br)/C(O)=C(\C#N)c1nc(-c2ccc(Cl)cc2)cs1 1872748438 XKWRHZSHKNPUCB-HSHIVQNRSA-N 496.213 7.140 50 10 JKGE N#C/C(=C(/O)CCCCCNC(=O)c1ccccc1)c1nc(-c2ccc(F)c(F)c2)cs1 1872751603 PBGGGRYDYPEIMA-PYCFMQQDSA-N 453.514 5.871 50 10 JKGE COc1c(Cl)cc(Cl)cc1-c1csc(/C(C#N)=C(\O)[C@H]2CC(=O)N(C(C)C)C2)n1 1872754283 LEMHOFNIDVSCFX-WMEZLHQCSA-N 452.363 5.175 50 10 JKGE CCOc1ccc(-c2csc(/C(C#N)=C(\O)CCCOc3ccc(CC)cc3)n2)c(OCC)c1 1872755604 WFWRKHKKFOLKPF-BZZOAKBMSA-N 478.614 6.822 50 10 JKGE COc1cc(-c2csc(/C(C#N)=C(\O)CCCOc3ccccc3)n2)c(OC)cc1Cl 1872756041 BEWYMZSJORKBHT-JZJYNLBNSA-N 456.951 6.133 50 10 JKGE COc1ccc(Cl)cc1-c1csc(/C(C#N)=C(\O)[C@@H]2CC(=O)N([C@H](C)c3ccccc3)C2)n1 1872758670 KSSMUMMATGIJLR-GWJZCCOGSA-N 479.989 5.874 50 10 JKGE CCCCOc1ccc(/C=C(\C#N)c2nc(-c3ccc(OC)c(OC)c3)cs2)cc1OCC 1872781400 DGIKIGFOSAACTP-DEDYPNTBSA-N 464.587 6.469 50 10 JKGE Cc1ccc(C)c(-c2csc(/C(C#N)=C/c3ccc(OCc4ccc(Cl)cc4)cc3)n2)c1 1872790854 IERTYZZMCNVAEF-HYARGMPZSA-N 456.998 7.724 50 10 JKGE FC(F)(F)[C@@H]1OC2([C@@H](Br)c3cc(Br)c(Br)s3)CC1C2 1878419582 UQZXBGRLOABXED-HBBLIZCNSA-N 484.957 5.819 50 10 JKGE O=C(Cc1ccc(Br)cc1)N(Cc1ccccc1)C1(CBr)CCC1 1915756194 HONKEEVQOLOPAZ-UHFFFAOYSA-N 451.202 5.338 50 10 JKGE Cc1ccc(Br)c([C@@H](Cl)c2sc(Br)cc2Br)c1 1922942174 QONKZSHAKQIMDS-LLVKDONJSA-N 459.428 6.672 50 10 JKGE Fc1ccc([C@@H](Br)c2c(Br)sc(Br)c2Cl)c(Cl)c1 1923054796 KHDSVXLGERNNDF-MRVPVSSYSA-N 497.836 7.203 50 10 JKGE FC(F)CC1([C@@H](Cl)c2c(Br)sc(Br)c2Br)CCC1 1924571122 OVAOSZOKUFFBDL-QMMMGPOBSA-N 487.429 7.141 50 10 JKGE Cl[C@H](c1c(Br)sc(Br)c1Br)C1CCOCC1 1924579920 LUKILHNDVAHVRN-QMMMGPOBSA-N 453.421 5.742 50 10 JKGE C[C@@H]1COc2ccc([C@@H](Br)c3cc(Br)c(Br)s3)cc21 1925718033 BKUYOLKXLRHAEV-FUXBKTLASA-N 467.020 6.253 50 10 JKGE C[C@H](Cl)c1nc2cc(I)ccc2n1-c1csnc1Br 1926861257 AGNVFCQXNIUNIE-LURJTMIESA-N 468.545 5.149 50 10 JKGE CCn1ncc(Br)c1[C@@H](Cl)c1cc(Br)c(Br)s1 1945453921 HGSKMVTXVYEHFR-QMMMGPOBSA-N 463.420 5.580 50 10 JKGE Cc1c(Br)sc([C@@H](Br)c2cc(Cl)c(Cl)s2)c1Br 1950177754 MXIJNWCZSTWVHZ-ZETCQYMHSA-N 499.902 7.434 50 10 JKGE O=C(O)C[C@@H](CCCC[C@@H]1CCSS1)NC(=O)OCC1c2ccccc2-c2ccccc21 1951369461 VEINJLDSHFRMBT-QZTJIDSGSA-N 471.644 6.083 50 10 JKGE Cc1c(Br)sc([C@@H](Br)c2ccsc2Cl)c1Br 1983219999 RFXXAHMQMHZECM-ZETCQYMHSA-N 465.457 6.781 50 10 JKGE ClCc1nc2ccc(Cl)c(Cl)c2n1CCCN(Cc1ccccc1)Cc1ccccc1 1997345081 XWPAJBPTXNDKOQ-UHFFFAOYSA-N 472.847 7.174 50 10 JKGE Cc1c(Br)sc([C@H](Br)[C@@H]2C[C@]2(C)C(F)F)c1Br 2008187331 SKFJWLJQFGGBQN-MJIFXRKESA-N 452.984 6.309 50 10 JKGE Clc1ccc(Cl)c([C@H](Br)c2cccc(Br)c2Br)c1 2031480139 ROYOYCGWOISWKG-GFCCVEGCSA-N 473.817 7.003 50 10 JKGE COc1ccc([C@H](Br)c2nc(C)sc2Br)cc1Br 2050330282 BBOGFLLVGAIKLO-JTQLQIEISA-N 455.997 5.469 50 10 JKGE Clc1cccc([C@@H](Br)Cc2c(Br)cccc2Br)c1 2050569203 BGYQJUXATVFWOM-AWEZNQCLSA-N 453.399 6.544 50 10 JKGE CC1([C@H](Br)c2cc(Br)sc2Br)CCCCCCC1 2052513415 SEHSCPVIZLEYBT-GFCCVEGCSA-N 459.085 7.460 50 10 JKGE C[C@@H]1CCC[C@@H]1CC(CBr)(CBr)c1cccc(Br)c1 2093455482 WHWVMUHFNLEQSN-CHWSQXEVSA-N 453.056 6.303 50 10 JKGE C[C@H](Br)C12CCC(CC1)N2Cc1cc(Cl)ccc1I 2097064834 LXKRUTFLZSWYBZ-KKJMOOEGSA-N 454.577 5.225 50 10 JKGE Cc1cc(Br)sc1CN(C)c1ccc(CBr)cc1Br 2100769067 RMYVGCCPOSFJNO-UHFFFAOYSA-N 468.052 6.113 50 10 JKGE Cc1csc([C@@H](Br)c2c(Br)cc(F)c(F)c2F)c1Br 2100809090 NVCRUHIMEMKLGP-VIFPVBQESA-N 478.953 6.483 50 10 JKGE CCc1nc([C@@H](Br)c2cc(C3CC3)c(Br)s2)c(Br)s1 2113184880 KGFXPZKIUXFHEJ-JTQLQIEISA-N 486.092 6.654 50 10 JKGE Cc1cc(Br)c([C@H](Br)C[C@@H]2CCC[C@@H]3C[C@@H]23)cc1Br 2121004034 UDFMMXNCOMFZNP-AZKPJATDSA-N 451.040 6.782 50 10 JKGE Brc1ccc([C@H](Br)c2cc3ncccc3s2)c(Br)c1 2138872843 MNXQMJMPVLGYIL-AWEZNQCLSA-N 462.004 6.306 50 10 JKGE Fc1cc(Cl)c([C@@H](Br)Cc2ccccc2I)cc1Cl 2139425254 BVSVPVHFMWCWFX-JTQLQIEISA-N 473.938 6.416 50 10 JKGE Fc1ccc2nc(CCCl)n(C3(CCOCc4ccccc4)CC3)c2c1Br 2146504056 AODDVARRHVQUTG-UHFFFAOYSA-N 451.767 5.815 50 10 JKGE CC(C)(C)OC(=O)N1CCN(CC2(CBr)CCCCC2)C[C@@H]1CC(F)(F)F 2176102444 IDONDNJCTOGARO-HNNXBMFYSA-N 457.375 5.206 50 10 JKGE CC(C)C(CCO[C@@H](CI)c1cccc(Br)c1)C(C)C 2189254692 ZWEOTOLAUVKXDS-KRWDZBQOSA-N 453.202 6.260 50 10 JKGE Cc1cc(Br)c(C)c([C@@H](Br)C[C@H]2C[C@H]3CC[C@H]2C3)c1Br 2201074876 STPLWPBNCHPHQV-XPCVCDNBSA-N 465.067 7.091 50 10 JKGE Brc1ccc(Br)c(CN2CC[C@@H]3CC[C@@H](Br)C[C@H]3C2)c1 2204094130 JCFRZWPSVLAGJV-SGMGOOAPSA-N 466.055 5.597 50 10 JKGE COc1cc(Br)c(C)cc1[C@@H](Cl)c1ccc(I)c(C)c1 2207110755 JZDJQSZGDRWRQZ-INIZCTEOSA-N 465.556 6.007 50 10 JKGE CCOCc1cc(Br)c([C@@H](Br)c2ccc(Br)s2)s1 2217983778 QSAPQWHHSTTWDG-NSHDSACASA-N 475.065 6.355 50 10 JKGE CC[C@@H]([C@H](Br)c1c(Br)cc(Cl)c(Cl)c1Cl)C(C)(F)F 2224304932 OJYJNVAQQHQMBG-CDUCUWFYSA-N 459.383 7.527 50 10 JKGE CC[C@@]1([C@H](Br)c2c(Br)cc(Cl)c(Cl)c2Cl)CC1(F)F 2224321644 MLDJXNARPWXPAN-MNOVXSKESA-N 457.367 7.281 50 10 JKGE Cc1c(Br)csc1[C@@H](Br)c1cc(Br)cc2c1OCC2 2226120122 DGKPGXOKBFOASO-LBPRGKRZSA-N 467.020 6.001 50 10 JKGE Cc1cc(Br)c([C@H](Br)C[C@H]2C[C@H]2C2CC2)c(C)c1Br 2227359738 LDVPORNKOVTXOA-MBNYWOFBSA-N 451.040 6.701 50 10 JKGE Cc1cc(Br)cc([C@H](Cl)c2c(Br)cc(Cl)c(Cl)c2Cl)c1 2232512302 NCTYZOBREXLEQG-LBPRGKRZSA-N 477.838 7.808 50 10 JKGE CCC[C@@H](CC(C)C)[C@@H](Br)c1c(Br)cc(C)c(Br)c1C 2235607089 FKJPVROQJADTKJ-SUMWQHHRSA-N 469.099 7.727 50 10 JKGE Fc1cccc2nc(CCl)n(-c3ccc(Br)cc3I)c12 2240289203 LYDKJNGGMQOQCT-UHFFFAOYSA-N 465.491 5.271 50 10 JKGE Fc1cc(Cl)c(Br)cc1[C@H](Br)c1cccc(Cl)c1Br 2267981001 BMABNLSHXGQXQP-GFCCVEGCSA-N 491.807 7.142 50 10 JKGE C=CC[C@@]1(CBr)CCCN1C(=O)c1cc(Br)c(Br)s1 2272178923 ILAJEEOFZAJLGO-ZDUSSCGKSA-N 472.040 5.219 50 10 JKGE COc1c(Br)cc(Cl)cc1[C@@H](Br)c1nc(C)sc1Br 2277893775 KHAILTQCIZPJFZ-SECBINFHSA-N 490.442 6.123 50 10 JKGE Oc1nc2cc([C@H](Cl)c3scc(Br)c3Cl)c(Br)cc2[nH]1 2279286657 FLYWKFUBZZGLBJ-VIFPVBQESA-N 456.974 5.837 50 10 JKGE Cc1ccc(-c2nnc(SCC(=O)NN=CC=Cc3ccccc3)n2-c2ccc(Cl)cc2)cc1 2293724473 BQCYEWHLIZBMGD-UHFFFAOYSA-N 488.016 5.804 50 10 JKGE COc1c(Br)cc(Cl)c(C)c1[C@H](Br)c1ccc(Br)cc1 2295261988 DIVZRMDSHIRJNU-CQSZACIVSA-N 483.425 6.666 50 10 JKGE CN[C@@H](c1c(Cl)cc(Br)c(F)c1Br)[C@@H]1C[C@H]1Br 2300179868 XYKSXNUORZBCAH-RDSNPXOSSA-N 450.371 5.048 50 10 JKGE O=C(CCCOc1ccc(Cl)cc1Cl)NN=C(C=Cc1ccccc1)c1ccccc1 2313541120 ULKITGCBQGVFGE-UHFFFAOYSA-N 453.369 6.386 50 10 JKGE CCOc1cc(C=C(C#N)C(=O)Nc2cccc(C)c2C)ccc1OCc1cccc(Cl)c1 2313667209 HPXCQMWYSOFUKG-UHFFFAOYSA-N 460.961 6.480 50 10 JKGE CCOc1cc(C=C(C#N)C(=O)NCc2ccc(OC)cc2)ccc1OCc1cccc(F)c1 2313670801 XHCUHYHQYIFENS-UHFFFAOYSA-N 460.505 5.035 50 10 JKGE FC(F)(C1CCCC1)[C@H](Br)c1ccc(OCc2ccccc2)cc1Br 2314445082 NSGHQAWJOWJUGP-LJQANCHMSA-N 474.183 7.290 50 10 JKGE FC(F)(F)[C@@H]1C[C@H]1C[C@@H](Br)c1ccc(OCc2ccccc2)cc1Br 2314445696 PZAWYVASKQCXPK-IAOVAPTHSA-N 478.146 7.053 50 10 JKGE CCCCSc1ccc(-c2nn(-c3ccccc3)cc2C=C(C#N)C(=O)N2CCCCC2)cc1 2314478936 XNVHWDKXSAWDOC-UHFFFAOYSA-N 470.642 6.351 50 10 JKGE Brc1ccc(OCc2ccccc2)c([C@@H](Br)[C@@H]2CCCC23CCC3)c1 2314502335 HWSIIMQSUVFNMO-PZJWPPBQSA-N 464.241 7.435 50 10 JKGE CC[C@@H](CC(F)(F)F)[C@@H](Br)c1ccc(OCc2ccccc2)cc1Br 2314502836 MKMHNCQFVDVZCQ-KBXCAEBGSA-N 480.162 7.443 50 10 JKGE CCCCOc1cc(C=C(C#N)C(=O)Nc2sc3c(c2C(=O)OCC)CC[C@@H](C)C3)ccc1OC 2314571595 IFRLTRXNQWBZJE-QGZVFWFLSA-N 496.629 5.783 50 10 JKGE CCCCc1ccc(NC(=O)C(C#N)=Cc2ccc3noc(-c4ccc(Cl)cc4)c3c2)cc1 2314572272 XJYVGGDAXRZBEN-UHFFFAOYSA-N 455.945 7.036 50 10 JKGE CC(C)(CCCl)C(=O)Nc1cc(Br)c(Br)c(Br)c1 2315440228 PXSKCZVDYWPWLT-UHFFFAOYSA-N 462.407 5.568 50 10 JKGE CCCc1sc(Br)cc1[C@@H](Br)c1cn(C)c(Br)n1 2316177570 DNIOABQEMCWYCQ-LLVKDONJSA-N 457.029 5.443 50 10 JKGE CC[C@@H]1C[C@@H](Br)C[C@@H](Cc2ccc(I)c(Br)c2)C1 2325173004 MXTIOEBWGVCJEL-CYZMBNFOSA-N 486.029 6.186 50 10 JKGE N#CC(=Cc1ccc(OCc2ccc(Cl)c(Cl)c2)cc1)c1cc2c(cc1[N+](=O)[O-])OCCO2 2331051512 DUMPGWRIWQUEOT-UHFFFAOYSA-N 483.307 6.316 50 10 JKGE C=CCOc1ccccc1OCC(O)=C(C#N)c1nc(-c2ccc(OC)c(OC)c2)cs1 2331242443 CXOJXNGVVJHUNU-UHFFFAOYSA-N 450.516 5.264 50 10 JKGE CCc1ccc(-c2csc(C(C#N)=C(O)[C@@H](C(C)C)N3C(=O)c4ccccc4C3=O)n2)cc1 2331245464 OPANNSMDOGSEGI-JOCHJYFZSA-N 457.555 5.486 50 10 JKGE CCCCCCOc1ccc(C(O)=C(C#N)c2nc(-c3ccc(CCCC)cc3)cs2)cc1 2331255987 MYEXVBFRBDKCIO-UHFFFAOYSA-N 460.643 8.062 50 10 JKGE COc1ccc(-c2csc(C(C#N)=C(O)[C@H]3CC(=O)N([C@@H](C)c4ccccc4)C3)n2)c(C)c1C 2331362271 QJMNXPIVZSMEEK-ICSRJNTNSA-N 473.598 5.838 50 10 JKGE CCCOc1ccc(-c2csc(C(C#N)=Cc3ccc(OCC)c(OCC)c3)n2)cc1OCCC 2331437950 XHISYWCTCGBSHK-UHFFFAOYSA-N 492.641 7.249 50 10 JKGE Cc1ccc(COc2ccc(C=C(C#N)c3nc(-c4c(C)cc(C)cc4C)cs3)cc2)cc1 2331477507 WXXLQAIKTXNHRD-UHFFFAOYSA-N 450.607 7.687 50 10 JKGE Fc1c(Br)cc(Cl)c([C@@H](Br)C[C@@]23CCC[C@@H]2C3)c1Br 2337095913 FDKDJCVKAWOMKQ-CMCSKWMBSA-N 475.421 7.020 50 10 JKGE Cc1nc(Br)c([C@H](Br)c2cc(F)c(Br)cc2F)n1C 2337319574 OTPMLFBVQNTQOV-SNVBAGLBSA-N 458.926 5.016 50 10 JKGE Cc1cc(Br)c(F)c(Br)c1[C@@H](Br)C1CCC(F)CC1 2339653201 HBBUEGOWTDXCBS-KWPJZBAWSA-N 460.982 6.623 50 10 JKGE COc1c(Br)cc(C)c([C@H](Br)[C@H]2CC[C@@H]3C[C@H]23)c1Br 2339675387 QRUSMTJMMYECHQ-KEPMVKOISA-N 453.012 6.011 50 10 JKGE Brc1cc([C@H](Br)c2cc3c(cc2Br)OCCC3)co1 2343583139 CKJVQLWEJZUZNX-AWEZNQCLSA-N 450.952 5.614 50 10 JKGE C[C@H](c1ccncc1F)[C@@H](Cl)c1cc(I)ccc1Br 2344698654 MAZMIXABHNQROK-XLKFXECMSA-N 454.508 5.671 50 10 JKGE O=S1(=O)CCC([C@@H](Br)c2c(F)cc(Cl)c(Br)c2Cl)CC1 2360502138 PJYVCDLCVDMWKT-SNVBAGLBSA-N 468.997 5.156 50 10 JKGE Cc1cc(Br)c(F)c(Br)c1[C@H](Br)[C@@H]1CCCC(C)(C)C1 2365190996 KGYPPDSBBHXZSU-ZWNOBZJWSA-N 471.046 7.312 50 10 JKGE Fc1ccccc1[C@H](CBr)OCc1ccc(Cl)cc1I 2365652115 DLSLXFKYSBDLEC-HNNXBMFYSA-N 469.519 5.737 50 10 JKGE CCCCO[C@@H]1[C@@H](Cl)C[C@H]1OCc1cc(I)ccc1Br 2367601619 LJCGFMBVDXATFH-RRFJBIMHSA-N 473.576 5.135 50 10 JKGE C[C@@H](Br)CN(C(=O)c1ccc(Cl)c(I)c1)C1CCCC1 2368839169 AMBRYOVSFHHEAS-SNVBAGLBSA-N 470.576 5.113 50 10 JKGE CCc1ccc([C@@H]2C(C#N)=C(N)N(c3cc([N+](=O)[O-])ccc3Cl)C3=C2C(=O)CCC3)s1 6284104 OKXSBZCIZVZEET-FQEVSTJZSA-N 454.939 5.177 50 10 JKGE O=C(COc1ccc2ccccc2c1Br)N/N=C/c1cccc(Cl)c1Cl 12575806 POHPLHBZDVVSNL-AUEPDCJTSA-N 452.135 5.438 50 10 JKGE CCOC(=O)c1c(NC(=O)/C(C#N)=C/c2ccc(-c3cccc(Cl)c3)o2)sc(C)c1C 28287309 BMCRCYXRLSJZAB-LFIBNONCSA-N 454.935 6.001 50 10 JKGE COc1ccc(OCCCC(=O)Oc2ccc(/C=C(/C#N)c3cccc(Cl)c3)cc2OC)cc1 31902394 YZLLUEVMNNKNRT-QNGOZBTKSA-N 477.944 6.186 50 10 JKGE COc1cc(/C=C(/C#N)c2cccc(Cl)c2)ccc1OC(=O)[C@H](C)N1C(=O)c2ccccc2C1=O 31902401 HUKKUNOQAHWQFU-JJBLJPBOSA-N 486.911 5.003 50 10 JKGE N#C/C(=C/c1ccc(OCc2ccc(Cl)cc2Cl)cc1)c1nn(-c2ccccc2)c(N)c1C#N 33921875 YLZBDSJAYAXGKC-UNOMPAQXSA-N 486.362 6.276 50 10 JKGE C=CCOc1ccc(-c2nn(-c3ccccc3)cc2/C=C2/C(=O)N(CC=C)C(=O)C(C#N)=C2C)c(C)c1 38607631 MYJFIRPFLXUMHX-YZSQISJMSA-N 490.563 5.191 50 10 JKGE COc1ccc(CN2C(=O)C(C#N)=C(C)/C(=C\c3ccc(OCc4ccc(C)cc4)cc3)C2=O)cc1 38608585 SHBMLWNNUSWAFI-JVWAILMASA-N 478.548 5.375 50 10 JKGE CCCCCOc1ccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4ccccc4C)ccc32)cc1 38685275 PLZLEUPHVREGDT-MHZLTWQESA-N 468.553 6.001 50 10 JKGE Cc1c(C(=O)Nc2cccc(C(F)(F)F)c2)oc2c1/C(=N/NC(=O)c1ccccc1F)CCC2 40812457 BHDAVWILHNIXTH-UXHLAJHPSA-N 473.426 5.469 50 10 JKGE Cc1ccc(C)c(NC(=O)c2oc3c(c2C)/C(=N/NC(=O)c2cccc4ccccc24)CCC3)c1 40813562 UYIXAIURXWYZMR-UQRQXUALSA-N 465.553 6.081 50 10 JKGE CCc1ccc(N2C(=O)[C@@H](Cc3ccccc3C)S/C2=C(/C#N)C(=O)Nc2ccccc2)cc1 101244329 PQAIUGJTUFXKGT-IEQIIXMPSA-N 467.594 5.622 50 10 JKGE CCCCCCCCOc1ccc(/C=C2/C(=O)N(CCCOCC)C(=O)C(C#N)=C2C)cc1OC 101336093 QRXFTIJZHBAFDM-PTGBLXJZSA-N 482.621 5.453 50 10 JKGE N#C/C(C(=O)COC(=O)COc1cc(Cl)c(Cl)cc1Cl)=C1/Nc2ccccc2S1 102957028 RJYVQTNLUNIWHL-VXLYETTFSA-N 469.733 5.091 50 10 JKGE COc1ccc([C@H](Br)c2cc(Br)ccc2F)cc1Br 109834148 OABHLNBPXJBAAZ-AWEZNQCLSA-N 452.943 5.844 50 10 JKGE CCOc1ccc(Br)cc1[C@@H](Br)c1ccccc1I 109871821 PKSHKUBOVZAGNS-HNNXBMFYSA-N 495.980 5.937 50 10 JKGE C[C@@H](Cl)c1nc2cc(I)ccc2n1Cc1sccc1Br 148432390 OPPBYJBKWZGEFO-MRVPVSSYSA-N 481.584 5.813 50 10 JKGE Fc1cc2nc(CCCl)n(-c3ccc(I)cc3)c2cc1Br 158512803 OVHPPOJSKRYHDG-UHFFFAOYSA-N 479.518 5.313 50 10 JKGE O=C(NC[C@@H]1CCCC[C@@H]1CBr)c1cc(Br)sc1Br 232463230 ZFZHUVHYQSEMRI-BDAKNGLRSA-N 474.056 5.204 50 10 JKGE COc1ccc([C@@H](Cl)c2ccc(F)cc2I)cc1Br 234986256 KLXDTPGWMOJUNO-CQSZACIVSA-N 455.492 5.530 50 10 JKGE Clc1cccc(C[C@@H](Cl)c2cc(I)ccc2Br)c1 236029974 HEMZKZRNBLQATP-CQSZACIVSA-N 455.948 6.230 50 10 JKGE CC(C)CCC[C@H](C)[C@@H]1CC[C@@H]2[C@H]3CC=C4C[C@@H](OC(=O)CCCl)CC[C@]4(C)[C@@H]3CC[C@]12C 252586176 NZCIAHIYIOJGGF-FCVYVCDASA-N 477.173 8.569 50 10 JKGE CC(C)Oc1cccc(-c2cc(C(=O)NN=Cc3cccc(Br)c3)c3ccccc3n2)c1 252633152 WALFRVGIZBOPPU-UHFFFAOYSA-N 488.385 6.215 50 10 JKGE O=C(CCCSc1nc2ccccc2s1)NN=C(CCc1ccccc1)CCc1ccccc1 253561562 CFKQCWMWXGZJDM-UHFFFAOYSA-N 487.694 6.906 50 10 JKGE CC(C)c1ccc(OCC(=O)NN=Cc2cc(N=Nc3cccc4ccccc34)ccc2O)cc1 254443269 CQSVTVKJNPDRRD-UHFFFAOYSA-N 466.541 6.613 50 10 JKGE O=C(NN=Cc1ccc(OC(=O)c2ccc(Cl)c(Cl)c2)cc1)c1ccc2ccccc2c1 254710560 MUVIACDXXFLGDB-UHFFFAOYSA-N 463.320 6.130 50 10 JKGE CC(C)(C)CCCC(CBr)(CBr)c1cccc(Br)c1 305905770 FHLMVXJUYJZPRS-UHFFFAOYSA-N 455.072 6.693 50 10 JKGE Cl[C@@H](c1cc(Br)ccc1Br)c1sccc1I 309282332 UNHLMDGAVVOPLO-JTQLQIEISA-N 492.401 6.206 50 10 JKGE Cc1ccc(I)cc1-n1c(CCl)nc2c(Br)cccc21 312330246 HNPMHOAFCMADRL-UHFFFAOYSA-N 461.528 5.440 50 10 JKGE CCO/C(O)=C(/C#N)[C@H](c1ccccc1)[C@H](C(=O)Nc1ccc(Br)cc1)[n+]1ccccc1 585145737 RJVXZOZSUZGBPQ-ZIIJFCCYSA-O 493.381 5.030 50 10 JKGE CC(C)(C)[Si](C)(C)OCCc1cccc([C@@H]2CCOCCN2S(=O)(=O)c2ccccc2)c1 616596891 AHMDTRABXDADQR-DEOSSOPVSA-N 475.727 5.403 50 10 JKGE CC(C)(C)OC(=O)N1CC[C@@H](c2ccc(CO[Si](C)(C)C(C)(C)C)cc2)c2ccccc21 616676483 UIOIBIVKGZCAJC-QFIPXVFZSA-N 453.699 7.486 50 10 JKGE CC(C)(C)OC(=O)N1c2ccccc2NC[C@H]1c1ccc(CO[Si](C)(C)C(C)(C)C)cc1 616686762 RXKQFXQEDDAZCP-QHCPKHFHSA-N 454.687 7.117 50 10 JKGE BrCc1cc(Br)cc(Br)c1OC[C@H]1CC[C@H](C2CC2)O1 715471569 VGVJQNRRMHDFTC-TZMCWYRMSA-N 469.011 5.443 50 10 JKGE Cc1sc([C@H](Cl)c2ccc(I)c(Cl)c2)c(C)c1Br 724985674 UCWQNILOWYTTEA-GFCCVEGCSA-N 476.004 6.714 50 10 JKGE COc1c(C(=O)NN=C2C(=O)N(Cc3cccc4ccccc34)c3ccccc32)ccc2ccccc12 1083911000 CMOXZWKQKUJMHO-UHFFFAOYSA-N 485.543 5.683 50 10 JKGE O=C(CCCOc1ccc(Cl)cc1Cl)NN=Cc1cccc(OCc2ccccc2)c1 1084335224 VHWUZPXAVASRTJ-UHFFFAOYSA-N 457.357 5.882 50 10 JKGE C=CCc1cc(C=NNC(=O)c2ccc(-n3c(C)ccc3-c3ccccc3)cc2)ccc1OCC(=O)O 1084364695 YAALBXNTVZXUNC-UHFFFAOYSA-N 493.563 5.409 50 10 JKGE Cc1ccc(NC(=O)/C(C#N)=C/c2cc(Cl)c(OCc3ccccc3F)c(Br)c2)cc1 1084381289 YFSPUBBAVXCDNC-VCHYOVAHSA-N 499.767 6.675 50 10 JKGE Cc1cc(C=NNC(=O)c2cc3ccccc3cc2O)c(C)n1-c1ccc(Br)cc1 1084584527 PQDSQFZAXKYMCB-UHFFFAOYSA-N 462.347 5.479 50 10 JKGE CCOc1cc(C=NNC(=O)c2cc3ccccc3o2)cc(Cl)c1OCc1ccccc1F 1084618339 PAYKNGOEQFYXNS-UHFFFAOYSA-N 466.896 5.967 50 10 JKGE Cc1cc(C=NNC(=O)CSCc2cccc(Cl)c2)c(C)n1-c1ccc(Cl)c(Cl)c1 1084644453 OFNZGGXMLQAKFE-UHFFFAOYSA-N 480.848 6.438 50 10 JKGE Cc1cccc(C(=O)NN=C2CCCc3oc(C(=O)Nc4ccc(Br)cc4)c(C)c32)c1 1772745013 QFBPLZWZPGCISE-UHFFFAOYSA-N 480.362 5.382 50 10 JKGE Cc1occc1C(=O)NN=C1CCCc2oc(C(=O)Nc3ccc(N=Nc4ccccc4)cc3)c(C)c21 1772748736 FIENEIWTCOLBMN-UHFFFAOYSA-N 495.539 6.628 50 10 JKGE Cc1cccc(OCC(=O)Nc2cccc3c(OC(=O)Nc4ccc(SC#N)cc4)cccc23)c1C 1858773550 ICYGLCRKBZMNIP-UHFFFAOYSA-N 497.576 6.658 50 10 JKGE COc1ccc(OCCCC(=O)NCc2ccc(OC(=O)Nc3ccc(SC#N)cc3)cc2)cc1 1858902931 CPFNQSXISRKPOZ-UHFFFAOYSA-N 491.569 5.355 50 10 JKGE CCCc1nn(Cc2ccccc2Cl)c2c1[C@H](c1ccc(C(C)(C)C)cc1)C(C#N)=C(N)O2 1865682340 MJTRTLZETOUWRH-HSZRJFAPSA-N 461.009 6.053 50 10 JKGE COc1ccc2ccccc2c1[C@H]1C(C#N)=C(N)Oc2c1c(C(F)(F)F)nn2Cc1ccccc1 1865687849 BVGZNTDQNPYOTA-OAQYLSRUSA-N 476.458 5.330 50 10 JKGE CCOc1ccc([C@H]2C(C#N)=C(N)Oc3c2c(C(F)(F)F)nn3-c2ccc(Cl)cc2)cc1OC 1865695893 VGXPKFCKPVULQU-SFHVURJKSA-N 490.869 5.170 50 10 JKGE N#CC1=C(N)Oc2c(c(-c3ccccc3)nn2-c2cccc3ccccc23)[C@@H]1c1c[nH]c2ccccc12 1865699711 AOKVSDJEHBUZPI-MHZLTWQESA-N 479.543 6.392 50 10 JKGE CCc1nn(Cc2ccc(Cl)c(Cl)c2)c2c1[C@H](c1ccc(OC)c(OC)c1)C(C#N)=C(N)O2 1865707673 CQXQLCMJFSHQBW-OAQYLSRUSA-N 485.371 5.036 50 10 JKGE CCCn1nc(C(F)(F)F)c2c1OC(N)=C(C#N)[C@@H]2c1cccc(OCc2ccccc2)c1 1865711906 LCJOJOBUIVZBLQ-IBGZPJMESA-N 454.452 5.109 50 10 JKGE CCOc1cc(/C=N\NC(=O)c2ccc(-c3ccc(Cl)cc3Cl)nc2C)ccc1OC 1865760730 MCELAMJLVFCYSN-ZMFRSBBQSA-N 458.345 5.535 50 10 JKGE Cc1ccccc1-c1nc(Nc2ccc(SC#N)cc2)cc(N2CCC(c3nc(C)n(C)n3)CC2)n1 1868301742 WBOTXGLTDVCYSR-UHFFFAOYSA-N 496.644 5.590 50 10 JKGE COc1ccc(-c2csc(/C(C#N)=C(\O)CCc3nc4ccccc4[nH]c3=O)n2)c(C)c1C 1872754085 BNXGVZJTNGXESK-XLNRJJMWSA-N 458.543 5.098 50 10 JKGE CCCCOc1ccc(/C(O)=C(\C#N)c2nc(-c3cc(C)c(OC)cc3C)cs2)cc1OCC 1872758158 NORUGRNASNGXSV-QLYXXIJNSA-N 478.614 6.963 50 10 JKGE COc1cc(/C=C(\C#N)c2nc(-c3ccc(C)cc3C)cs2)ccc1OCCCc1ccccc1 1872790614 UEJLNFYWSHKVBU-KOEQRZSOSA-N 480.633 7.511 50 10 JKGE CCCOc1ccc(-c2csc(/C(C#N)=C(\O)COc3ccc(CCC)cc3)n2)cc1OCCC 1872818105 NDHBVGCTHZHTNS-BZZOAKBMSA-N 492.641 7.212 50 10 JKGE CC[C@@H](c1ccccc1)[C@H](Br)c1sc(Br)c(C)c1Br 1922899748 DXBZOFDYWCJPGG-AAEUAGOBSA-N 467.064 7.211 50 10 JKGE Cc1cc(Br)cc([C@@H](Cl)c2sc(Br)cc2Br)c1 1922938795 FVKCIFFYSVZTHF-LLVKDONJSA-N 459.428 6.672 50 10 JKGE C[C@@H]1CCO[C@@H]1[C@H](Br)c1c(Br)sc(Br)c1Br 1924569967 CHPDIRIKGSZFNO-DVZGVGDCSA-N 497.872 5.897 50 10 JKGE Cc1sc([C@@H](Br)c2cscc2OCc2ccccc2)c(C)c1Br 1939531860 QQDUDNLMNGMVSF-KRWDZBQOSA-N 472.267 7.252 50 10 JKGE Cc1cc(Br)c(CBr)c(N(Cc2ccccc2)CC2CCCC2)c1 2005452518 JHPNDEZORPQGBJ-UHFFFAOYSA-N 451.246 6.849 50 10 JKGE Fc1cc(Br)c(Cl)cc1[C@@H](Cl)c1cc(I)sn1 2007644839 NZCGNHODKLXLFJ-SNVBAGLBSA-N 466.928 5.631 50 10 JKGE CCn1cc(Br)c([C@H](Br)c2cc(Cl)c(Br)s2)n1 2010561163 GFCFXXGPRMHEGI-MRVPVSSYSA-N 463.420 5.627 50 10 JKGE Cc1c(Br)ccc([C@H](Br)c2ccsc2Cl)c1Br 2024292749 LAYUHYPRAJCUTJ-NSHDSACASA-N 459.428 6.719 50 10 JKGE CS(=O)(=O)c1sccc1[C@@H](Br)c1cc(Br)sc1Br 2033134188 DDMRDBUUVKEMBP-MRVPVSSYSA-N 495.077 5.222 50 10 JKGE CC(C)CC(CBr)(CBr)Cc1nn(C)c(Cl)c1Br 2035488770 WMNHYQKOMMOPKQ-UHFFFAOYSA-N 465.455 5.201 50 10 JKGE Cc1cc(Br)c([C@H](Br)c2sc(Br)cc2C)cc1Cl 2038505973 KDWDOKNJMMYLDR-LBPRGKRZSA-N 473.455 7.028 50 10 JKGE CC1=CCCC(C)(C)[C@@H]1C=CC(C)=NNC(=O)c1ccc(CSc2nc(C)cc(C)n2)cc1 2040451726 BNOCNIRXTZIFLJ-XMMPIXPASA-N 462.663 6.430 50 10 JKGE COc1ccc(-c2nn(-c3ccccc3)cc2C=C(C#N)c2ccc3c(c2)OCO3)cc1OC 2040736805 AJBMEQYGVLJXDO-UHFFFAOYSA-N 451.482 5.349 50 10 JKGE N#CC(=Cc1cn(Cc2ccccc2)c2ccccc12)c1nnc(N2CCOCC2)n1-c1ccccc1 2042453448 JWZPHVOYIINYRZ-UHFFFAOYSA-N 486.579 5.171 50 10 JKGE COc1cc([C@H](Br)c2sc(Cl)cc2Br)ccc1Br 2072063457 QIZTWIIMEUJVCW-NSHDSACASA-N 475.427 6.419 50 10 JKGE CCCOc1ccc(Cn2nc(CCl)c(I)c2C(F)(F)F)cc1 2079210174 KOUOYDKOYVKJHF-UHFFFAOYSA-N 458.649 5.082 50 10 JKGE Fc1ccc([C@@H](Br)c2cc(C3CC3)c(Br)s2)cc1Br 2094674057 QULASSAPZODXRY-CYBMUJFWSA-N 469.011 6.774 50 10 JKGE C[C@@H](N(Cc1ccccc1)S(=O)(=O)c1ccc(CCl)cc1Br)C(C)(C)C 2095913323 TVGPDOKOSBPJIM-OAHLLOKOSA-N 458.849 5.813 50 10 JKGE O=S(=O)(c1cc(Cl)c(F)cc1F)N(Cc1ccccc1)C1(CBr)CCC1 2121055433 RSDSMAALACSSMS-UHFFFAOYSA-N 464.759 5.127 50 10 JKGE CC1(C)CC[C@@H](Br)[C@@H](Cc2ccc(Br)cc2Br)CC1 2122926876 GKGWWVRKZQKSIW-TZMCWYRMSA-N 453.056 6.734 50 10 JKGE CC(C)(C)OC(=O)NCCSSCCNc1ccc(Br)cc1C(F)(F)F 2125301362 DOULLTXMDWFJSG-UHFFFAOYSA-N 475.396 5.786 50 10 JKGE Cc1cc(Br)c(C)c([C@H](Br)c2ccc(F)cc2)c1Br 2136380948 XNYPYCDAVQPMOX-OAHLLOKOSA-N 450.971 6.452 50 10 JKGE Cc1c(F)ccc([C@@H](Br)c2cc(Br)ccc2I)c1C 2138888560 KMJNSGNYGVNZOJ-OAHLLOKOSA-N 497.971 6.294 50 10 JKGE COCC12CC([C@@H](Cl)c3c(Br)sc(Br)c3Cl)(CO1)C2 2141162124 CAGBRYWAPVZHGE-RKWZHAFESA-N 451.007 5.402 50 10 JKGE Br[C@H](c1cc(I)sn1)c1ccc(-c2ccccc2)s1 2141218226 MQQNZDROPQFIBA-CQSZACIVSA-N 462.175 5.961 50 10 JKGE COc1ccc([C@H](Cl)c2ccc(I)c(C)c2)cc1Br 2142140605 LEKXPFXKWIEWCB-OAHLLOKOSA-N 451.529 5.699 50 10 JKGE CC[C@](CBr)(Cc1cccc(Br)c1Br)c1ccccc1 2148751352 JYHDLAQPIQYQJY-QGZVFWFLSA-N 461.035 6.497 50 10 JKGE COc1cc(Br)c(C)cc1[C@H](Cl)c1cccc(Br)c1Br 2148753009 QMQJSGYECDZWET-OAHLLOKOSA-N 483.425 6.619 50 10 JKGE CN(Cc1ccc(Br)cc1Br)C1(CBr)CC2(CCC2)C1 2164564532 JJIVMPGJSISOED-UHFFFAOYSA-N 466.055 5.741 50 10 JKGE COc1ccc(O[C@@H]2C[C@H](Br)[C@@]23CCC[C@@H]3C)cc1I 2173617214 ZOOOASHOPIEYFN-LTTZEQNMSA-N 451.142 5.021 50 10 JKGE O=C(NC[C@]1(F)CC[C@H](CBr)CC1)c1cc(Br)sc1Br 2178579008 GCHCGKKWYPMQIB-XCSCGOTBSA-N 492.046 5.296 50 10 JKGE Cc1c(Br)ccc([C@@H](Br)c2cc3c(s2)CCSC3)c1Br 2203686214 OEMBQPBLWYHYQT-OAHLLOKOSA-N 497.115 6.855 50 10 JKGE Fc1cc(Br)c(Br)cc1[C@H](Br)CCCC(F)(F)F 2218603567 LRBBYPKIKIAYCM-SSDOTTSWSA-N 456.897 6.519 50 10 JKGE CSc1ccccc1[C@H](Br)c1cc(Br)c(Br)cc1F 2225617706 QNYWCXPCNLYTKE-AWEZNQCLSA-N 469.011 6.557 50 10 JKGE Cc1ccc(Br)c([C@@H](Br)c2c(Br)cc(C)c(Cl)c2C)c1 2232527789 FJWOARHVAMHIDV-OAHLLOKOSA-N 481.453 7.275 50 10 JKGE CC1(C)[C@H]2C[C@H]([C@H](Br)c3c(Br)cc(Cl)c(Cl)c3Cl)C[C@H]21 2232530364 QXCPROBTSDFYIS-ZNWBZCOPSA-N 461.452 7.528 50 10 JKGE Cc1cc(C)c([C@@H](Br)c2sc(C)c(C)c2Br)c(C)c1Br 2237630449 VWTSQVOTVWUFCA-OAHLLOKOSA-N 481.091 7.300 50 10 JKGE Brc1ccc([C@H](CI)O[C@@H]2CCN(Cc3ccccc3)C2)cc1 2244800314 LUBKHAVASAWRSJ-MOPGFXCFSA-N 486.191 5.216 50 10 JKGE CN(C[C@H](Br)COCc1ccccc1)c1nc2ccc(Br)cc2s1 2253383996 VEIQBSTZGXZGLB-HNNXBMFYSA-N 470.230 5.475 50 10 JKGE CCc1cc([C@@H](Br)c2nn(C)c(Cl)c2Br)sc1Br 2255975042 XHNUCZUMCUABAU-SSDOTTSWSA-N 477.447 5.707 50 10 JKGE Cc1cscc1[C@H](Br)c1c(F)cc(Br)c(F)c1Br 2260073204 IJYPLXDODRAVCM-JTQLQIEISA-N 460.963 6.344 50 10 JKGE Cc1csc([C@@H](Br)c2cc3sc(Br)cc3s2)c1Br 2263568233 NOXDENPZQNFRSS-NSHDSACASA-N 487.101 7.342 50 10 JKGE COc1cc(C)c(Br)c(C)c1[C@@H](Br)c1c(Br)cnn1C 2285095485 UUQNLSKXKWVOPU-CYBMUJFWSA-N 466.999 5.055 50 10 JKGE N#CC(=Cc1cccc(OCc2ccc(Cl)cc2)c1)C(=O)Nc1cc(Cl)cc(Cl)c1 2295459608 FOMFXYTZYXOIBX-UHFFFAOYSA-N 457.744 6.771 50 10 JKGE FC(F)(F)c1cscc1[C@@H](Br)c1cc2sc(Br)cc2s1 2295511257 FSVJZWDZOTWFBV-LLVKDONJSA-N 462.175 7.290 50 10 JKGE CCCCOc1cccc(NC=C(C#N)c2nc(-c3cc4cc([N+](=O)[O-])ccc4oc3=O)cs2)c1 2295894330 JLMBOWDCIYPDLV-UHFFFAOYSA-N 488.525 5.980 50 10 JKGE CNC(=O)C(C#N)=Cc1cn(-c2ccccc2)nc1-c1ccc(OCc2ccccc2Cl)cc1 2296707716 AEFBRIBSDKUVLE-UHFFFAOYSA-N 468.944 5.425 50 10 JKGE Cl[C@H](c1ccc(OCc2ccccc2)cc1)c1cc(Br)ccc1OCc1ccccc1 2299535876 UFJABVLOGXLNAY-HHHXNRCGSA-N 493.828 7.935 50 10 JKGE ClC[C@@H](Br)[C@@H](CCl)OCc1cc(Br)cc(Br)c1 2300178744 LRVQBZPPRAKFKR-GHMZBOCLSA-N 469.826 5.338 50 10 JKGE Clc1c(Br)sc(Br)c1[C@@H](Br)[C@H]1OC[C@@H]2CCC[C@H]12 2312254531 WRLVLMBWSAOLFV-LVWRQZDYSA-N 479.459 6.178 50 10 JKGE CCOc1cc(C=C(C#N)C(=O)Nc2ccc(C)cc2)ccc1OCc1c(Cl)cccc1Cl 2313630895 HJFAOJGOFURLKU-UHFFFAOYSA-N 481.379 6.825 50 10 JKGE COC[C@]1([C@@H](Br)c2cc(Br)ccc2OCc2ccccc2)CCCO1 2314451327 DMQKVCPSEHPQNJ-PMACEKPBSA-N 470.201 5.660 50 10 JKGE C=CCN1C(=O)C(=Cc2ccc(OCc3ccc(Cl)cc3Cl)cc2)C(C)=C(C#N)C1=O 2314616457 AXWUJKPWCFDMOD-UHFFFAOYSA-N 453.325 5.351 50 10 JKGE N#CC1=C(N)Oc2cc(OC(=O)C=Cc3ccc(Cl)cc3Cl)ccc2[C@@H]1c1ccco1 2314634556 IAYWPSCXWNZXEU-QFIPXVFZSA-N 453.281 5.423 50 10 JKGE Cc1cc(Br)c([C@@H](Br)c2cnsc2Br)c(C)c1Cl 2315620314 UPGYAIMHOWXXFR-JTQLQIEISA-N 474.443 6.423 50 10 JKGE Fc1ccc(C[C@@H](Br)c2sc(Cl)cc2I)cc1F 2316772801 YCVHVUAAUHCQPQ-SSDOTTSWSA-N 463.512 5.963 50 10 JKGE C[C@@H]1C[C@H]2C[C@]([C@@H](Br)c3cc(Br)ccc3OCc3ccccc3)(C2)O1 2319802652 HGHMXGMKFKGGHI-GNBIQWSPSA-N 466.213 6.422 50 10 JKGE BrC[C@@H](Cc1ccc(Br)cc1)Cc1nc(Br)cs1 2320035750 TWWPBJXMXRSXIS-JTQLQIEISA-N 454.025 5.464 50 10 JKGE CCOc1ccc(C)cc1[C@H](C)NC=C(C#N)C(=O)Nc1ccc(I)cc1C 2325406007 IICBSZAVDRWRBV-INIZCTEOSA-N 489.357 5.004 50 10 JKGE N#CSc1ccc(NC(=O)Oc2ccc(CNC(=O)C=Cc3ccc(Cl)cc3Cl)cc2)cc1 2329312505 NNQOCJPXSXURMC-UHFFFAOYSA-N 498.391 6.507 50 10 JKGE COc1cc(C=C(C#N)c2nc3cc(C)ccc3n2C)ccc1OC(=O)c1ccc(Cl)cc1Cl 2331019273 GMOMTKKJPNXJOG-UHFFFAOYSA-N 492.362 6.481 50 10 JKGE N#CC(=C(O)CNC(=O)c1ccc(Cl)cc1Cl)c1nc(-c2ccc(Cl)cc2)cs1 2331295851 LUMNZYQAMURXKM-UHFFFAOYSA-N 464.761 5.993 50 10 JKGE CCOc1ccc(-c2csc(C(C#N)=C(O)c3cc(C(F)(F)F)cc(C(F)(F)F)c3)n2)cc1 2331305819 YFLCCPVHPBXCRZ-UHFFFAOYSA-N 484.421 7.196 50 10 JKGE Cc1ccc(-c2csc(C(C#N)=C(O)[C@H](CC(C)C)N3C(=O)c4ccccc4C3=O)n2)cc1 2331312423 UAKGBPSSPMYQHZ-QFIPXVFZSA-N 457.555 5.622 50 10 JKGE CCOc1ccc(C=CC(O)=C(C#N)c2nc(-c3cc(Cl)cc(Cl)c3OC)cs2)cc1 2331362819 TYFHLIIAOJFXIE-UHFFFAOYSA-N 473.381 7.030 50 10 JKGE COc1cc(C(O)=C(C#N)c2nc(-c3c(C)c(C)cc(C)c3C)cs2)c([N+](=O)[O-])cc1OC 2331366255 FWOUZGKTTQLFLN-UHFFFAOYSA-N 465.531 5.919 50 10 JKGE N#CC(=Cc1ccc(OCc2ccccc2Cl)cc1)c1nc(-c2ccc3ccccc3c2)cs1 2331416654 HXSHLBPRWKTZPG-UHFFFAOYSA-N 479.004 8.260 50 10 JKGE N#CC(=Cc1ccccc1OCc1ccc(Cl)cc1)c1nc(-c2ccc3c(c2)OCO3)cs1 2331453892 VZNIBUXIYNIOEF-UHFFFAOYSA-N 472.953 6.835 50 10 JKGE CCCCCCOc1ccc(C=C(C#N)c2nc(-c3cc(Cl)cc(C)c3OC)cs2)cc1OC 2331474537 QBAGRDVTCVDQJV-UHFFFAOYSA-N 497.060 7.812 50 10 JKGE Brc1ccc(OCc2ccccc2)c([C@H](Br)C(C2CCC2)C2CCC2)c1 2336046659 GCWSKCCMTABKAJ-QHCPKHFHSA-N 478.268 7.681 50 10 JKGE CS(=O)(=O)c1sccc1[C@H](Cl)c1ccc(OCc2ccccc2)cc1Br 2336056493 JDKFENYXLJZJHF-GOSISDBHSA-N 471.825 5.821 50 10 JKGE CCCN[C@@H](c1c(Cl)cc(Br)c(F)c1Br)[C@@H]1C[C@H]1Br 2337106212 GJTSSXFCURFNRL-FRSIUCEKSA-N 478.425 5.828 50 10 JKGE FC1(F)C[C@]12CCC[C@H]([C@H](Br)c1sc(Cl)cc1I)C2 2338560486 LXRZNESHHWQBKR-VIRWGQHYSA-N 481.571 6.658 50 10 JKGE Cn1nc(Br)c(Br)c1[C@@H](Br)Cc1cc(Cl)cc(Cl)c1 2338691185 PKVPSEJESMHRKI-VIFPVBQESA-N 491.836 5.931 50 10 JKGE C[C@@H]1CCC[C@]12[C@H](Br)C[C@H]2Oc1cc(Br)cc(Br)c1 2338758755 SUWHKGIHBVXRCK-SEWBAHNZSA-N 453.012 5.933 50 10 JKGE Cc1cc(Br)c(F)c(Br)c1[C@@H](Br)C1(C)CC(C)(C)C1 2339681421 HSCZTGCDLLVXOY-CYBMUJFWSA-N 457.019 6.921 50 10 JKGE COc1c(Br)cc(C)c([C@H](Br)C2(C)CCCC2)c1Br 2339688006 CAFYANFFAQOZPK-AWEZNQCLSA-N 455.028 6.545 50 10 JKGE Clc1ccc(CC[C@H](Br)CN2CCCCC2)c(I)c1 2341041238 KTFCRCSXQBGUAF-ZDUSSCGKSA-N 456.593 5.127 50 10 JKGE CN(Cc1cc(I)ccc1Cl)C1(CBr)CC(C)(C)C1 2352409049 CLLVIMBQXUSYOQ-UHFFFAOYSA-N 456.593 5.330 50 10 JKGE FC1(F)CC[C@@H](Br)[C@@H](Cc2cc(I)ccc2Cl)CC1 2352428424 UXJZVXRTDOOMGY-BXKDBHETSA-N 463.531 6.076 50 10 JKGE Cc1cc(Br)c([C@@H](Br)[C@H]2OC[C@@H]3CCC[C@H]23)c(C)c1Br 2358673044 GIPQLHIZDCCZDZ-QMMBQJITSA-N 467.039 6.080 50 10 JKGE BrCC(CBr)(C[C@@H]1C[C@@H]2CC[C@H]1C2)c1ccc(Br)cc1 2359332898 RHSGHTZEAZAUHZ-RDBSUJKOSA-N 465.067 6.303 50 10 JKGE Brc1ccc(OCc2ccccc2)c([C@@H](Br)Cc2ccc3c(c2)CCO3)c1 2361168617 NFTUZEFRSWOOKA-NRFANRHFSA-N 488.219 6.642 50 10 JKGE Fc1c(Cl)cccc1[C@@H](Cl)c1c(Cl)cc(Br)c(F)c1Br 2362221917 BJDHPVZDTJKGBB-LLVKDONJSA-N 465.346 7.125 50 10 JKGE FC(F)(F)Oc1cccc([C@@H](Br)c2sc(Cl)cc2I)c1 2363891576 IUKPGZFCPWIXAM-SNVBAGLBSA-N 497.501 6.389 50 10 JKGE FC1(F)[C@H]2CCC[C@@H]1C[C@@H]([C@H](Br)c1sc(Cl)cc1I)C2 2364119218 KRNGQYOYDFAOAH-UOKLYIGXSA-N 495.598 6.904 50 10 JKGE CN(Cc1c(Br)cccc1Br)c1ccc(CBr)cc1F 2366185137 QZOYLNLWXQULLX-UHFFFAOYSA-N 465.986 5.882 50 10 JKGE CC[C@@H](OCc1cc(I)ccc1Br)c1nc(CCl)cs1 2367278128 MHNYAWBAHVMZMB-CYBMUJFWSA-N 486.600 5.917 50 10 JKGE Fc1cc(NCc2ccc(I)c(Br)c2)c(F)cc1CCl 2377324286 NDBOODICGPITQM-UHFFFAOYSA-N 472.498 5.683 50 10 JKGE CCCCO[C@@H]1[C@@H](Br)C[C@H]1OCc1cc(I)ccc1Cl 2380342706 KSZLHXXIBVGWAO-NWANDNLSSA-N 473.576 5.182 50 10 JKGE COc1ccc(/C(C#N)=C\c2ccc(OC(=O)c3ccc(Br)cc3)c(OC)c2)cc1OC 31902044 DNBQWBRVGJJFBD-UNOMPAQXSA-N 494.341 5.758 50 10 JKGE COc1cc(/C=C(/C#N)C(=O)c2c(C)[nH]c3ccccc23)ccc1OS(=O)(=O)c1ccc(C)cc1 34854260 ZJTZFUXHGULKNF-ZHZULCJRSA-N 486.549 5.351 50 10 JKGE Cc1ccc(C(C)C)c(Oc2nc3ccccn3c(=O)c2/C=C(/C#N)c2nc3ccccc3n2C)c1 35549838 WSOBHLMRWYMZKO-SILNSSARSA-N 475.552 5.870 50 10 JKGE CCOc1ccccc1[C@H]1C(C#N)=C(N)Oc2cc(OC(=O)c3cc([N+](=O)[O-])ccc3Cl)ccc21 38650581 JFBHEEJOQMCEIV-HSZRJFAPSA-N 491.887 5.084 50 10 JKGE N#CC1=C(N)Oc2cc(OC(=O)c3ccccc3[N+](=O)[O-])ccc2[C@H]1c1ccc(Cl)cc1Cl 38655317 GPQUDJJFUCCCMQ-OAQYLSRUSA-N 482.279 5.339 50 10 JKGE CCCCCOc1ccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4ccccc4)ccc32)cc1OCC 38684282 MKUNZEFZPWJTRG-MUUNZHRXSA-N 498.579 6.092 50 10 JKGE CCCCCOc1ccccc1[C@H]1C(C#N)=C(N)Oc2cc(OC(=O)c3ccccc3)ccc21 38685983 HXQGMKQLCXSXER-AREMUKBSSA-N 454.526 5.693 50 10 JKGE COc1cccc(NC(=O)/C(C#N)=C\c2c(Oc3ccc(C(C)(C)C)cc3)nc3ccccn3c2=O)c1 39858516 WHKLPJOISNXHCB-MNDPQUGUSA-N 494.551 5.339 50 10 JKGE CCCCCCOc1ccc(/C=C(\C#N)C(=O)Nc2nc(-c3cc(C)ccc3C)cs2)cc1OC 40927072 YPGIZGKHXCVNMY-PXLXIMEGSA-N 489.641 6.940 50 10 JKGE COc1cc(/C=N/NC(=O)c2ccc(-n3c(C)ccc3-c3ccccc3)cc2)c([N+](=O)[O-])cc1OC 59304854 LDZLFXDVTWMRHU-OGLMXYFKSA-N 484.512 5.142 50 10 JKGE O=C(O)c1ccc(COc2c(Cl)cc(/C=N/NC(=O)c3cc4ccccc4o3)cc2Cl)cc1 59680204 INRNXPHQPUKCSJ-KKMKTNMSSA-N 483.307 5.781 50 10 JKGE Brc1ccc([C@H](Br)c2cc(Br)sc2Br)s1 71101409 ORANEYPUYODFLO-MRVPVSSYSA-N 495.881 6.581 50 10 JKGE BrC[C@H](Cc1cccc(Br)c1)Cc1sccc1Br 97184814 JUNZKQDRFSYRKR-LLVKDONJSA-N 453.037 6.069 50 10 JKGE N#C/C(=C/Nc1cccc2ccccc12)c1nc(-c2cc3cc([N+](=O)[O-])ccc3oc2=O)cs1 100480659 XRRMKXYJPMJZGB-LGMDPLHJSA-N 466.478 5.954 50 10 JKGE CCCCCCOC(=O)c1ccccc1N/C=C(/C#N)c1nc(-c2ccc(C)c(C)c2)cs1 102416441 CVCLCSPNFWTFJP-XLNRJJMWSA-N 459.615 7.141 50 10 JKGE CCCCCCCCOc1ccc(/C=N/NC(=O)COc2ccc(C3CCCCC3)cc2)cc1 103744956 UOGDWXNLRNZGLB-JBASAIQMSA-N 464.650 7.003 50 10 JKGE Fc1ccc(Br)c(C[C@@H](CBr)c2ccc(Br)cc2)c1 118657886 DQHCIBZDHKSGRI-LBPRGKRZSA-N 450.971 6.072 50 10 JKGE Cc1ccc(C(CBr)(CBr)Cc2ccc(Br)s2)cc1 118670865 VCIVYFUAMJCSQP-UHFFFAOYSA-N 467.064 6.089 50 10 JKGE Brc1ccsc1[C@@H](Br)c1csc2c(Br)cccc12 163400577 XJSJEQOMGFNLFU-NSHDSACASA-N 467.045 6.972 50 10 JKGE Cc1cc(I)ccc1N/C=C(/C#N)C(=O)Nc1cc(Cl)ccc1Cl 217132483 JIPWSGGIZUTWNE-LUAWRHEFSA-N 472.113 5.365 50 10 JKGE COc1ccc(-c2cc(C(=O)NN=Cc3cc(Cl)ccc3O)c3ccccc3n2)cc1OC 252618973 LLUVKBRXLLDDEZ-UHFFFAOYSA-N 461.905 5.042 50 10 JKGE CCCCCCc1cc2cc(C(C)=NNC(=O)c3cc4ccccc4cc3O)c(=O)oc2cc1O 252625911 QRUZEKHPOACNOT-UHFFFAOYSA-N 472.541 5.634 50 10 JKGE CC(=NNC(=O)CSc1nc2ccccc2n1Cc1ccccc1)c1ccc2ccccc2c1 254404520 OGYPCLPUFQXJOQ-UHFFFAOYSA-N 464.594 5.870 50 10 JKGE C[C@H]1CCCCN1C(=O)[C@@]12CC[C@@](C(Br)Br)([C@H]1Br)C2(C)C 256019974 PIUSTXQHXAPGON-KTQGLZRJSA-N 486.086 5.073 50 10 JKGE Fc1ccc([C@H](Cl)c2scc(C(F)(F)F)c2Br)c(Br)c1 312231004 CUUZSKKWNGZGDO-JTQLQIEISA-N 452.492 6.759 50 10 JKGE Fc1ccc([C@@H]2CN(Cc3ccccc3)C[C@H]2CI)c(Br)c1 382697593 BJYBCFZEAVPIGS-RHSMWYFYSA-N 474.155 5.239 50 10 JKGE Cc1ccc([C@H]2CN(C(=O)OC(C)(C)C)C[C@@H]2CI)c(Br)c1 382698889 ZVOLOYUCVMFDOT-JSGCOSHPSA-N 480.184 5.143 50 10 JKGE CC(C)(C)C[C@@H](CBr)NC(=O)c1cc(Br)c(Br)s1 393459945 LDLUDBZXBUZAHX-ZETCQYMHSA-N 462.045 5.203 50 10 JKGE C[C@@]1(n2c(CCCl)nc3cc(I)ccc32)CCN(Cc2ccccc2)C1 405964704 OTNOLFMTDAQKDW-OAQYLSRUSA-N 479.793 5.043 50 10 JKGE CCC[Si](OC)(OC)OCC(F)(F)C(F)(F)C(F)(F)C(F)(F)[C@@H](F)CC(F)(F)F 575444411 LBTSNEJGMVFUEW-QMMMGPOBSA-N 478.346 5.476 50 10 JKGE Fc1cc(Cl)cc([C@H](Br)c2cc(Br)sc2Br)c1F 691183379 MXVPTBJUSIKBFC-VIFPVBQESA-N 481.381 6.689 50 10 JKGE ClCc1cc(Br)c(OCCc2ccc(Br)cn2)c(Br)c1 709941872 KAZVAGJYTGZOLL-UHFFFAOYSA-N 484.413 5.729 50 10 JKGE FC(F)(F)c1cccc(Cl)c1[C@@H](Cl)c1cc(Br)sc1Br 712576882 CWJKDFGGGRDKJG-JTQLQIEISA-N 468.947 7.274 50 10 JKGE CCCOC(=O)c1ccc(-c2ccc(C=NNC(=O)c3ccccc3NC(=O)c3ccccc3)o2)cc1 1081103577 IKTMWHWUHSPSDX-UHFFFAOYSA-N 495.535 5.530 50 10 JKGE Cc1cc(/C=C(\C#N)C(=O)Nc2cccc(Cl)c2Cl)c(C)n1-c1ccc(Cl)c(C(=O)O)c1 1083989220 FGHSRTDTSCSCFM-OQLLNIDSSA-N 488.758 6.298 50 10 JKGE O=C(CCCOc1ccc(Cl)cc1Cl)NN=Cc1ccc(OCc2ccccc2)cc1 1084058555 MMWAQEMJMGPCTJ-UHFFFAOYSA-N 457.357 5.882 50 10 JKGE CCOC(=O)COc1ccc(C=NNC(=O)c2ccc(-n3c(C)ccc3-c3ccccc3)cc2)cc1 1084265562 OUDJDZNPTIWWMS-UHFFFAOYSA-N 481.552 5.159 50 10 JKGE C=CCc1cc(/C=C(\C#N)C(=O)Nc2cccc(Cl)c2Cl)cc(Br)c1O 1084443157 IOLMTCPQEQOWAE-MDWZMJQESA-N 452.135 5.736 50 10 JKGE CCOc1cc(C=NNC(=O)CSc2nc3ccccc3s2)ccc1OCc1ccc(F)cc1 1084553191 OEZNXTIWCKTKBS-UHFFFAOYSA-N 495.601 5.656 50 10 JKGE COc1ccc(C)cc1NC(=O)c1oc2c(c1C)C(=NNC(=O)c1cccc(Cl)c1)CCC2 1772746663 ZDXVHOBCNHAOAT-UHFFFAOYSA-N 465.937 5.281 50 10 JKGE CCc1ccccc1NC(=O)c1oc2c(c1C)C(=NNC(=O)c1ccc(Cl)c([N+](=O)[O-])c1)CCC2 1772748972 VCWGUXXFNQLGJZ-UHFFFAOYSA-N 494.935 5.435 50 10 JKGE Cc1ccc(NC(=O)c2oc3c(c2C)C(=NNC(=O)c2ccoc2C)CCC3)c(Br)c1 1772750058 WGVXGRURNFHRFW-UHFFFAOYSA-N 484.350 5.283 50 10 JKGE COc1cc(C=NNC(=O)COc2ccc(C(C)C)c(C)c2)ccc1OCc1ccccc1Cl 1772754182 DJYYFLYLKMOIOP-UHFFFAOYSA-N 480.992 5.889 50 10 JKGE COc1cc(C=NNC(=O)[C@@H](C)Oc2ccc(C(C)(C)C)cc2)ccc1OCc1ccccc1 1772756187 NFWSKBFBLMZIJL-HXUWFJFHSA-N 460.574 5.489 50 10 JKGE COc1cc(C=NNC(=O)[C@@H](C)Oc2ccc(C(C)(C)C)cc2)ccc1OCCc1ccccc1 1772756422 YDZJMPZUZGAPCI-OAQYLSRUSA-N 474.601 5.532 50 10 JKGE CCc1nn(Cc2ccccc2Cl)c2c1[C@@H](c1c(Cl)cccc1Cl)C(C#N)=C(N)O2 1865685300 GRMWZAVOSZKNHA-GOSISDBHSA-N 459.764 5.672 50 10 JKGE CCCCOc1ccc([C@@H]2C(C#N)=C(N)Oc3c2c(C(F)(F)F)nn3Cc2ccccc2F)cc1 1865689461 AALVGRBGONBTNX-HXUWFJFHSA-N 486.469 5.486 50 10 JKGE CCCCOc1ccc([C@H]2C(C#N)=C(N)Oc3c2c(CC)nn3Cc2c(F)cccc2Cl)cc1 1865689519 BACHNBNVCDMEOP-QHCPKHFHSA-N 480.971 5.683 50 10 JKGE CCCOc1cccc([C@@H]2C(C#N)=C(N)Oc3c2c(-c2ccccc2)nn3Cc2cccc(Cl)c2)c1 1865693855 MESDKHSBWUGXJU-RUZDIDTESA-N 496.998 6.259 50 10 JKGE CCCc1nn(-c2cccc3ccccc23)c2c1[C@@H](c1ccc(OCC)c(OC)c1)C(C#N)=C(N)O2 1865695195 MGSSUSQGFBHCLX-SANMLTNESA-N 480.568 5.603 50 10 JKGE CCc1nn(CC(C)C)c2c1[C@@H](c1ccc(OCc3ccc(C)cc3)c(OC)c1)C(C#N)=C(N)O2 1865695570 QACXCRFCSQLNAL-VWLOTQADSA-N 472.589 5.216 50 10 JKGE CCCOc1ccccc1[C@@H]1C(C#N)=C(N)Oc2c1c(-c1ccccc1)nn2-c1ccc(C)cc1 1865703288 SLUNSCXREMDYNN-RUZDIDTESA-N 462.553 5.855 50 10 JKGE Cc1nn(-c2ccccn2)c2c1[C@@H](c1c(OCc3ccccc3)ccc3ccccc13)C(C#N)=C(N)O2 1865704335 SWECWHQVMJFHGJ-NDEPHWFRSA-N 485.547 5.526 50 10 JKGE COCCOc1ccc(/C=C(\C#N)C(=O)NCC[C@@H](C)c2cccc(-c3ccc(O)cc3)c2)cc1 1866214040 OWACUZHPDOCVMK-MSPRMREJSA-N 470.569 5.301 50 10 JKGE CC[C@@](C)(NC(=O)c1ccc2oc(-c3ccc(C)cc3)nc2c1)C(=O)Nc1ccc(SC#N)cc1 1866883212 GYPHDIVADXUIBY-HHHXNRCGSA-N 484.581 5.914 50 10 JKGE CCCOc1ccc(-c2csc(/C(C#N)=C(\O)c3c(Cl)ccc(Cl)c3OC)n2)cc1 1872749691 CVDPAHPOTWNBPA-HKWRFOASSA-N 461.370 6.864 50 10 JKGE CCCOc1ccc(C/C(O)=C(\C#N)c2nc(-c3ccc(Oc4ccccc4)cc3)cs2)cc1 1872753775 MHADSMYWPWMCAS-RFBIWTDZSA-N 468.578 7.427 50 10 JKGE CCOc1ccc(OCC)c(-c2csc(/C(C#N)=C(\O)c3cc(Cl)ccc3OC)n2)c1 1872754719 GCAQLJMZYCHMEI-PYCFMQQDSA-N 456.951 6.219 50 10 JKGE CCOc1ccc(-c2csc(/C(C#N)=C(\O)[C@@H](C)Oc3ccccc3C(C)C)n2)c(OCC)c1 1872755292 HHKDFMWCNVQFNE-PPFHAMGKSA-N 478.614 6.991 50 10 JKGE COc1ccc(OC/C(O)=C(\C#N)c2nc(-c3cc(Cl)cc(C)c3OC)cs2)c(C(C)(C)C)c1 1872757247 WTTKGZPORNTYAW-QOCHGBHMSA-N 499.032 6.958 50 10 JKGE CCCCCOc1ccc(/C=C(\C#N)c2nc(-c3ccc(-c4ccccc4)cc3)cs2)cc1 1872782553 MVXPPNMBKNQWGP-LGUFXXKBSA-N 450.607 8.110 50 10 JKGE COc1cc(/C=C(\C#N)c2nc(C(C)(C)C)cs2)ccc1OCc1c(Cl)cccc1Cl 1872790454 JSWYFENNPSWDNM-MHWRWJLKSA-N 473.425 7.399 50 10 JKGE BrC[C@@H]1CN(Cc2c(Br)cccc2Br)CC12CCC2 1914512733 FLRKHNLKSRDZPQ-LLVKDONJSA-N 452.028 5.209 50 10 JKGE C[C@H](CCBr)N(Cc1ccccc1)c1ccc(C(F)(F)F)cc1Br 1915087322 UDWJVMBXNBBZGN-CYBMUJFWSA-N 465.151 6.648 50 10 JKGE Cc1c(Br)sc([C@H](Br)c2cc(F)c(Cl)cc2F)c1Br 1922884598 SCIOJEOXLZOVAV-SNVBAGLBSA-N 495.408 6.997 50 10 JKGE COc1ccc([C@@H](Cl)c2c(Br)sc(Br)c2Cl)c(OC)c1 1923049855 OQJQYEPEMNQISF-SNVBAGLBSA-N 461.002 6.272 50 10 JKGE COc1ccc([C@@H](Cl)c2c(Br)sc(Br)c2Br)cc1C 1924572111 WUWPYQRUNVPNLS-LLVKDONJSA-N 489.454 6.681 50 10 JKGE Cl[C@@H](c1cccs1)c1c(Br)sc(Br)c1Br 1924577201 YKHARGMIAIGOLU-ZETCQYMHSA-N 451.430 6.425 50 10 JKGE Cc1ccc([C@@H](Br)c2c(Br)sc(Br)c2Br)o1 1924577217 YVWNUZWUFWZBPN-SSDOTTSWSA-N 493.840 6.421 50 10 JKGE Cc1cc(Br)sc1[C@@H](Br)c1cscc1OCc1ccccc1 1934831945 MTCQLZVSANZXRN-INIZCTEOSA-N 458.240 6.944 50 10 JKGE C[C@](CI)(OCCCOCc1ccccc1)c1ccccc1Br 1983389761 KBQRDZFJNQYSOV-LJQANCHMSA-N 489.191 5.723 50 10 JKGE Brc1ccc([C@@H](Br)Cc2ccsc2)c(I)c1 1995284794 SKADNZMHACYUEL-NSHDSACASA-N 471.983 5.794 50 10 JKGE CCCCC[C@@H](CC)O[C@](C)(CI)CN(CC)C(=O)OC(C)(C)C 2026329594 STPIZUIYQHHGAN-VQIMIIECSA-N 455.421 5.813 50 10 JKGE Cc1cc(Br)c([C@H](Br)c2nn(C)cc2Cl)cc1Br 2033324432 ZPNXAWYLSXCFTJ-NSHDSACASA-N 457.391 5.391 50 10 JKGE Cl[C@@H](c1cc(C2CC2)c(Br)s1)c1ccccc1I 2033635687 SMQIINBKGXAGJR-CYBMUJFWSA-N 453.570 6.321 50 10 JKGE Brc1cc([C@H](Br)[C@H]2C[C@@H]2C2CCOCC2)sc1Br 2079393415 QIURCRLRBIBINS-VDDIYKPWSA-N 459.041 5.772 50 10 JKGE Brc1cc(Br)c([C@H](Br)[C@H]2C[C@@H]2C2CCOCC2)s1 2079394584 YLXJJEOQMPOEMH-VDDIYKPWSA-N 459.041 5.772 50 10 JKGE COc1cc(F)c([C@@H](Br)c2csc(Br)c2)cc1Br 2082782898 WDXLLSMUUSRMOD-LBPRGKRZSA-N 458.972 5.905 50 10 JKGE Cc1sc(Br)cc1[C@H](Cl)c1ccc(Br)c(C)c1Br 2083336339 ZDQQLJCGRNQECC-CYBMUJFWSA-N 473.455 6.981 50 10 JKGE CCc1sc(Br)cc1[C@@H](Br)Cc1ccc(Br)cc1F 2090687497 CHGZVPJBNVGRDI-NSHDSACASA-N 471.027 6.653 50 10 JKGE CCC[C@@H]1CC[C@@H](Br)[C@@H](Cc2c(Br)cccc2Br)C1 2094093056 MHUBOAHAAGNRIO-YRGRVCCFSA-N 453.056 6.734 50 10 JKGE Clc1ccc(I)c(CN2[C@H]3CCC[C@@H](Br)[C@H]2CC3)c1 2097817382 YGDXRTJGSDTLGD-GZBFAFLISA-N 454.577 5.225 50 10 JKGE O=C(c1scc(Br)c1Br)N1[C@H](CBr)C[C@@H]2CCC[C@@H]21 2108400283 VUVZSVQSEDGNAW-NRPADANISA-N 472.040 5.051 50 10 JKGE Cl[C@@H](c1c(Br)sc(Br)c1Br)[C@H]1CCn2nccc2C1 2108966952 WHXZJPGYVLYBRP-QUBYGPBYSA-N 489.458 5.775 50 10 JKGE CC(C)CO[C@@H]1[C@@H](Br)C[C@@H]1Oc1c(Br)cccc1Br 2109256371 CVVYLIUMRNHXSN-SGMGOOAPSA-N 457.000 5.167 50 10 JKGE CC(C)(C)[C@H](C[C@@H](Br)c1c(Cl)sc(Br)c1Cl)C(F)F 2111374609 QYGIMGCGNMAFGO-PHDIDXHHSA-N 459.021 7.571 50 10 JKGE FC(F)(F)C1([C@@H](Br)c2sc(Br)cc2Br)CCCCC1 2116585064 ZRQPGCDFRQXIAN-JTQLQIEISA-N 485.001 7.222 50 10 JKGE CCn1cc(Br)c([C@@H](Br)c2cc(F)c(Br)cc2F)n1 2124770351 WEJZEIGXZABHKA-NSHDSACASA-N 458.926 5.191 50 10 JKGE COC1(C(F)(F)F)CC([C@H](Br)c2cc(Br)sc2Br)C1 2125556645 UCTLXGCTCSYDIS-KSHCCYOPSA-N 486.973 6.067 50 10 JKGE FC1(F)CC2(C1)C[C@]2(CBr)Cc1c(Br)cccc1Br 2132873046 SHMVSFIPXDEIFL-LBPRGKRZSA-N 458.966 5.955 50 10 JKGE Clc1ccc(I)c(CN2CC[C@@H](CBr)C23CCC3)c1 2133829219 ZNDMJPZABHLSRH-LBPRGKRZSA-N 454.577 5.084 50 10 JKGE Cc1cc(Br)c(C)c([C@@H](Br)[C@H](C)CC(F)(F)F)c1Br 2136366572 JKPOSZRXOSKTHB-KRTXAFLBSA-N 466.961 6.853 50 10 JKGE Cc1cc(Br)c(C)c([C@H](Br)[C@@H](C)[C@@H]2CCCO2)c1Br 2136369987 MJFROGLCGVPVHM-ITDIGPHOSA-N 455.028 6.080 50 10 JKGE COc1ccc([C@@H](Br)c2ccc(OCc3ccccc3)cc2)c(Cl)c1Cl 2138626829 BGMRQSYEINYZFC-IBGZPJMESA-N 452.175 7.065 50 10 JKGE C[C@@H]1Cc2cc([C@@H](Br)c3c(Br)cccc3Br)ccc2O1 2150494879 TXNMCABARYACPC-JDNHERCYSA-N 460.991 6.019 50 10 JKGE CC1(C)CCN(C(=O)c2c(Br)cccc2Br)C[C@H]1CBr 2150503519 MXHWJWOYAKJWAF-SNVBAGLBSA-N 468.027 5.095 50 10 JKGE BrCc1cc(Br)ccc1N1C[C@]23CCC[C@@]2(CN(Cc2ccccc2)C3)C1 2153341635 SCVUOTKAWAXXNZ-DHIUTWEWSA-N 490.283 5.837 50 10 JKGE ClCc1nc2cc(Br)c(Cl)cc2n1[C@H]1CCCCN(Cc2ccccc2)C1 2159873652 JAGJONQOJLEGDR-INIZCTEOSA-N 467.238 6.418 50 10 JKGE O=C(c1csc(Br)c1Br)N1CCC[C@]2(CBr)CCC[C@@H]12 2165282586 FZFBQBBSYFLBRZ-YGRLFVJLSA-N 486.067 5.443 50 10 JKGE C[C@@H](Cl)c1nc2cc(Cl)c(Br)cc2n1[C@@]1(C)CCN(Cc2ccccc2)C1 2169004966 FGAAQTAYDVKVHS-SZNDQCEHSA-N 467.238 6.373 50 10 JKGE O=C(NC[C@]1(F)CC[C@H](CBr)CC1)c1cc(Br)c(Br)s1 2178579531 NUEPCZDDXXKRIQ-XCSCGOTBSA-N 492.046 5.296 50 10 JKGE CC(C)c1nnc(COc2c(Br)cc(Br)cc2CBr)s1 2186504207 PBHHNVWUTIURTA-UHFFFAOYSA-N 485.039 5.660 50 10 JKGE Cc1ccc(Cl)c([C@H](Br)c2c(C)c(Br)cc(C)c2Br)c1 2201068367 QUJSCTRKFBPFQQ-INIZCTEOSA-N 481.453 7.275 50 10 JKGE Cc1cc(Br)c(C)c([C@@H](Br)C2(F)CC3(CCC3)C2)c1Br 2201076378 YFYLBMRJCPUVBJ-CQSZACIVSA-N 469.030 6.937 50 10 JKGE Cn1nc([C@@H](Br)c2c(Br)cc(F)c(Cl)c2F)c(Cl)c1Cl 2201613665 KGSNNLQNICZYBE-LURJTMIESA-N 469.338 5.905 50 10 JKGE COc1cc(Cl)c([C@@H](Br)c2c(F)cccc2Br)cc1Br 2202354095 VZTCKSPYZMNBAT-CQSZACIVSA-N 487.388 6.497 50 10 JKGE Fc1cc(Br)c(Br)cc1[C@H](Br)[C@]12COC[C@H]1C2(F)F 2225619537 KHLHFJZPPZHNDP-VWYCJHECSA-N 464.901 5.068 50 10 JKGE Cc1sc([C@H](Br)[C@H](C)c2ccncc2Br)c(C)c1Br 2226084001 IKBIEUYMLDWZNC-FUXBKTLASA-N 468.052 6.525 50 10 JKGE Cc1sc(C(=O)N[C@H](C)CCCCCI)c(C)c1Br 2226090379 WYZBSUXFSYCTML-SECBINFHSA-N 458.203 5.241 50 10 JKGE Cc1cc(Br)c([C@H](Br)CCOCC(F)F)c(C)c1Br 2227353066 RPEABHPYZNVEET-SECBINFHSA-N 464.970 5.936 50 10 JKGE Cc1cc(Br)c([C@H](Br)C[C@@H]2C[C@@H]2C2CC2)c(C)c1Br 2227359739 LDVPORNKOVTXOA-OUCADQQQSA-N 451.040 6.701 50 10 JKGE Cl[C@H](c1csc(Br)c1Br)c1ccc2c(c1Br)CCO2 2229744588 NQRUNBNAOWHNFX-LBPRGKRZSA-N 487.438 6.299 50 10 JKGE O=[N+]([O-])c1cc(Br)c(OCCCCCCBr)c(Br)c1 2231088394 OCRXJCKMXNZSCK-UHFFFAOYSA-N 459.960 5.454 50 10 JKGE COc1cc(C)c(Br)cc1[C@H](Cl)c1ccc(C)c(I)c1 2232833940 QCONYGNTOMIDPD-MRXNPFEDSA-N 465.556 6.007 50 10 JKGE Fc1cc(Br)cc2c1nc(CCl)n2-c1ccc(I)cc1 2232924715 VRQLNDGHKBKIGZ-UHFFFAOYSA-N 465.491 5.271 50 10 JKGE COc1ccc([C@H](Br)c2cc(Br)c(Br)cc2F)cc1C 2233973836 BWAWOTXKMFIVLG-HNNXBMFYSA-N 466.970 6.152 50 10 JKGE Cn1nc([C@@H](Br)c2c(F)cc(F)c(Br)c2F)c(Cl)c1Cl 2236112225 YEPKXBOZJDVXJR-ZETCQYMHSA-N 452.883 5.391 50 10 JKGE CCc1cc([C@H](Br)c2cc(Cl)ccc2Br)sc1Br 2255989705 WMXKRPWFWZYTNY-GFCCVEGCSA-N 473.455 6.973 50 10 JKGE COc1ccc([C@H](Br)c2ccc(Br)cc2)cc1I 2257367571 MJXONXNXMDZELP-CQSZACIVSA-N 481.953 5.547 50 10 JKGE CN(C[C@@H](Br)COCc1ccccc1)c1ccnc2ccc(Br)cc12 2257468161 WTYVIKGOOJNAPM-QGZVFWFLSA-N 464.201 5.414 50 10 JKGE Cc1c(Br)sc([C@@H](Br)c2cc(F)c(Br)cc2Cl)c1C 2267750021 QFOAETIHQDUFSL-NSHDSACASA-N 491.445 7.167 50 10 JKGE Cc1ccc(Br)c([C@H](Cl)Cc2cc(Br)cc(Br)c2)c1 2277963808 YTCUCFILIYZDCW-OAHLLOKOSA-N 467.426 6.805 50 10 JKGE FC1(F)[C@H]2C[C@@H]([C@@H](Br)Cc3cc(Br)cc(Br)c3)C[C@H]21 2277966777 VTSGUPXWWPOKHX-MHNYQROPSA-N 458.966 5.809 50 10 JKGE COc1cc(Cl)c(Cl)cc1[C@@H](Cl)c1cc(Br)cc(Br)c1 2279045820 FIFCOXJSBJYNKG-AWEZNQCLSA-N 459.392 6.855 50 10 JKGE COc1ccc(Br)cc1[C@H](Br)c1cc(F)c(Br)cc1Cl 2282900773 ZESGOFDKTYOBNP-CQSZACIVSA-N 487.388 6.497 50 10 JKGE CC1CC2(C1)CC(COc1c(Br)cc(CBr)cc1Br)C2 2287814985 ZJZUDTVLWPSWNB-UHFFFAOYSA-N 467.039 6.312 50 10 JKGE N#CC(=Cc1c[nH]c2ccc(OCc3ccccc3)cc12)C(=O)Nc1ccccc1C(F)(F)F 2295187768 MFAPHANICYBZPU-UHFFFAOYSA-N 461.443 6.311 50 10 JKGE FC1(F)[C@@H]([C@H](Br)Cc2cc(Br)cc(Br)c2)C12CCCC2 2295341589 HIYMFNGKZBHOOG-OLZOCXBDSA-N 472.993 6.343 50 10 JKGE COc1ccc(CCNC(=O)C(C#N)=Cc2cn(Cc3cccc(C)c3)c3ccccc23)cc1OC 2295672233 DSQDXYUGPUDQHG-UHFFFAOYSA-N 479.580 5.281 50 10 JKGE Cc1cc(C=C(C#N)C(=O)Nc2ccccc2)c(C)n1-c1ccc(Sc2ccc([N+](=O)[O-])cc2)cc1 2297327762 JCYRMQWUPKXHPJ-UHFFFAOYSA-N 494.576 6.699 50 10 JKGE N#CC(=Cc1ccc(OC(=O)c2cc3ccccc3nc2Cl)cc1)c1nc2ccccc2[nH]1 2297398868 VCMLAAWERTUAGE-UHFFFAOYSA-N 450.885 6.048 50 10 JKGE Fc1c(Br)cc(Cl)c([C@@H](Cl)[C@H]2C[C@@H](Br)C2)c1Br 2300172906 YARHJHUUQYFHQY-LYAQYDMKSA-N 469.801 6.458 50 10 JKGE COc1ccc(NC(=O)C(C#N)=Cc2cc(Br)ccc2OCc2ccccc2F)cc1 2313540896 ALXVSAKUUOYQOF-UHFFFAOYSA-N 481.321 5.721 50 10 JKGE COc1ccc(C(=O)Oc2ccc(C=C(C#N)C(=O)Nc3cc([N+](=O)[O-])ccc3Cl)cc2)cc1 2313670589 IKOWCOLWQAHZPU-UHFFFAOYSA-N 477.860 5.022 50 10 JKGE N#CC(=Cc1cn(-c2ccccc2)nc1-c1ccccc1)c1nc(-c2ccc(Cl)cc2)cs1 2314480724 LYIUUBJTUYRGLA-UHFFFAOYSA-N 464.981 7.380 50 10 JKGE Cc1ccc(F)c([C@H](Br)c2ccc(OCc3ccccc3)cc2Br)c1 2314500411 NDQLYNWATAZSHM-OAQYLSRUSA-N 464.172 6.960 50 10 JKGE Cc1cc(O[C@H](C)C(=O)Oc2ccc(C=C(C#N)C(=O)NCc3ccco3)cc2)cc(C)c1Cl 2314770712 ULAHOIMYABQMFA-GOSISDBHSA-N 478.932 5.146 50 10 JKGE Fc1c(Br)cc(Cl)c([C@H](Br)CCC2CCC2)c1Br 2315442141 PQZOKRMSYNMODT-MRVPVSSYSA-N 463.410 7.020 50 10 JKGE C[C@]1([C@H](Br)c2sc(Cl)cc2I)CCCCC1(F)F 2316776587 DWSHZZMUBBNHHM-GHMZBOCLSA-N 469.560 6.658 50 10 JKGE COc1c(Br)cc(C)c([C@H](Cl)[C@H]2C[C@H](Br)C2)c1Br 2317400082 RUSPGJZJDNYANA-DNSOKLHBSA-N 461.419 5.982 50 10 JKGE Clc1ccc([C@H](Cl)Cc2ccc(Br)cc2)c(I)c1 2317770751 KCKURTVLYSAORK-CYBMUJFWSA-N 455.948 6.230 50 10 JKGE Cc1nc(-c2ccc(Cl)cc2Cl)ccc1C(=O)NN=Cc1ccc(Br)cc1 2321242255 HQZXQECEJCAHIF-UHFFFAOYSA-N 463.162 5.890 50 10 JKGE CCCCc1ccc(-c2csc(C(C#N)=C(O)c3ccc(NS(C)(=O)=O)cc3)n2)cc1 2331255898 GFVCSDJPLRPYME-UHFFFAOYSA-N 453.589 5.474 50 10 JKGE N#CC(=C(O)c1cc(Cl)ccc1Cl)c1nc(-c2cccc(Br)c2)cs1 2331278764 GGCMEGHYEOJYRX-UHFFFAOYSA-N 452.160 6.829 50 10 JKGE CC[C@@H](C)[C@@H](C(O)=C(C#N)c1nc(-c2cc(C)ccc2OC)cs1)N1C(=O)c2ccccc2C1=O 2331324372 QOMFFHUYPHXZEX-MWTRTKDXSA-N 487.581 5.631 50 10 JKGE CC(C)c1ccc(-c2csc(C(C#N)=C(O)[C@@H](C)Oc3ccc(Cl)cc3Cl)n2)cc1 2331341582 IEIOSUGAZNIGOC-CQSZACIVSA-N 459.398 7.500 50 10 JKGE CCOc1ccc(CCC(O)=C(C#N)c2nc(-c3c(C)c(C)cc(C)c3C)cs2)cc1OC 2331370351 ZNHURZIYKORRRG-UHFFFAOYSA-N 462.615 6.877 50 10 JKGE COc1cc(C=C(C#N)c2nc(-c3ccc(C)cc3C)cs2)ccc1OC(=O)c1ccccc1 2331443462 RONBYUUOFIREIW-UHFFFAOYSA-N 466.562 6.719 50 10 JKGE Fc1cc(C[C@H](Br)c2ccc(OCc3ccccc3)cc2Br)ccc1Cl 2336046687 GJKXRFXQYNYNIY-SFHVURJKSA-N 498.617 7.499 50 10 JKGE COc1c(Br)cc(C)c([C@H](Br)C2CC(C)(F)C2)c1Br 2339677230 ZQEGGXCLUMKXMI-IYXOAMITSA-N 458.991 6.103 50 10 JKGE Clc1ccc(I)cc1C[C@@H]1CCCCCCC[C@@H]1Br 2352426670 APAPUTWSBFSUHS-WFASDCNBSA-N 455.605 6.611 50 10 JKGE Clc1ccc(I)cc1CC[C@@H](Cl)c1ccccc1Br 2352431733 KTXXBXLPYRGOBI-OAHLLOKOSA-N 469.975 6.620 50 10 JKGE Cc1cc(Br)c([C@H](Br)[C@@H]2O[C@H]3CC[C@H]2C3)c(C)c1Br 2352552183 AVZSYVYGEQNOGW-FCIDVOKBSA-N 453.012 5.832 50 10 JKGE Fc1cc(Cl)c(Br)c(Cl)c1[C@H](Br)C1CCC(F)(F)CC1 2360422368 HUVVKHCSGQDLKC-SNVBAGLBSA-N 454.939 7.157 50 10 JKGE COC[C@@H]1CC[C@@H]([C@@H](Br)c2c(C)cc(Br)c(F)c2Br)C1 2365191885 SBNIUSVSYVMSEF-GIPNMCIBSA-N 473.018 6.158 50 10 JKGE Cc1cc(Br)c(F)c(Br)c1[C@H](Br)c1c(Cl)c(C)nn1C 2365227492 GPRHSQOLAFKYCC-JTQLQIEISA-N 489.408 5.839 50 10 JKGE Clc1cccc(C[C@@H](CBr)Cc2ccc(Cl)cc2I)c1 2366713349 XXMIXXCDVADVIG-GFCCVEGCSA-N 484.002 6.394 50 10 JKGE Cc1cc(Br)c(C(C)C)cc1[C@H](Cl)c1cnn(C)c1I 2380939813 OQESHDATQPHLOH-AWEZNQCLSA-N 467.576 5.547 50 10 JKGE CCc1cc(Br)c(OC)c([C@H](Br)c2cn(C)c(Br)n2)c1 2381249462 JDFFILHJPVIUAN-LBPRGKRZSA-N 466.999 5.000 50 10 JKGE CCN(CC)c1ccc(/C=N/NC(=O)/C(=C/c2cccs2)NC(=O)c2ccccc2Cl)cc1 3168645 NQOMCDLUMGAHKI-XBSHTGLCSA-N 481.021 5.169 50 10 JKGE N#CC1=C(N)Oc2c(c(Nc3ccccc3)nc3c(O)nsc23)[C@@H]1c1ccc(Br)cc1 9597245 POYIDIVHBDADQZ-OAHLLOKOSA-N 492.358 5.121 50 10 JKGE CC[C@@H](C)c1ccccc1O[C@@H](C)C(=O)NNC(=O)COc1ccc(C(C)C)cc1Br 9873716 QFXVNJWXIWGDRR-SJORKVTESA-N 491.426 5.080 50 10 JKGE CCSc1sc(CC)cc1[C@H]1C(C#N)=C(N)N(c2cccc(C)c2)C2=C1C(=O)CC(C)(C)C2 9982563 NKRCGWMHXONHDK-QHCPKHFHSA-N 477.699 6.672 50 10 JKGE Cc1ccc(COc2ccc3ccccc3c2/C=N/NC(=O)CSc2nc3ccccc3[nH]2)cc1 32520643 SLUWERSAXHZFLY-MUFRIFMGSA-N 480.593 5.846 50 10 JKGE Cc1c(Cl)cccc1N(C(=O)CCl)[C@H](C(=O)N[C@@H]1CCCC[C@@H]1C)c1ccccc1Cl 33404647 UVAILIYOFRBEED-NQKDMWHGSA-N 481.851 6.310 50 10 JKGE N#C/C(=C\c1ccc(-c2ccc(S(N)(=O)=O)cc2)o1)c1nc(-c2ccc(Cl)cc2)cs1 33568268 BZDOMXQUXKLTOU-LFIBNONCSA-N 467.959 5.435 50 10 JKGE COc1cccc(OCCOc2c(Cl)cc(Cl)cc2/C=C(/C#N)C(=O)Nc2ccc(C)cc2)c1 33783581 JZPXVAQNPHMMAT-UNOMPAQXSA-N 497.378 6.314 50 10 JKGE CCCOc1ccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4ccccc4OCCC)ccc32)cc1 38650724 WSBZUGHMMBYXRJ-MHZLTWQESA-N 484.552 5.702 50 10 JKGE COc1ccccc1C(=O)Oc1ccc2c(c1)OC(N)=C(C#N)[C@H]2c1cccc(Oc2ccccc2)c1 38660766 PSCAYQNGCKVULE-NDEPHWFRSA-N 490.515 5.925 50 10 JKGE N#CC1=C(N)Oc2cc(OC(=O)c3cccs3)ccc2[C@@H]1c1cccc(Oc2ccccc2)c1 38660833 UVBQMKVWBTWVQQ-VWLOTQADSA-N 466.518 5.978 50 10 JKGE CSc1ccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)[C@@H](C)Oc4ccccc4F)ccc32)cc1 38682430 UUXIUTQVHQGGIM-MYYSRTQBSA-N 476.529 5.139 50 10 JKGE COc1ccc(Oc2nc3c(C)cccn3c(=O)c2/C=C(/C#N)C(=O)Nc2ccc(Cl)cc2)cc1 39858576 DSVMJJUWEZGPBB-VKAVYKQESA-N 486.915 5.003 50 10 JKGE Cc1c(C(=O)NCc2ccccc2Cl)oc2c1/C(=N/NC(=O)c1cccc(Cl)c1)CCC2 40813265 JZZAOPLVQKQOPW-TURZUDJPSA-N 470.356 5.295 50 10 JKGE Cc1cc(C)c2c(CC(=O)N/N=C3\CCCc4oc(C(=O)Nc5ncccc5C)c(C)c43)coc2c1 40826851 JOPXXGOGAQBBKX-AJBULDERSA-N 484.556 5.306 50 10 JKGE Cc1cc(C)c2c(CC(=O)N/N=C3\CCCc4oc(C(=O)N5CCCCCC5)c(C)c43)coc2c1 40826930 XCGFMEMJGVXJLK-XHLNEMQHSA-N 475.589 5.367 50 10 JKGE COc1cccc(/C=C(/C#N)C(=O)Nc2ccc(Cl)cc2)c1OCc1cccc(Cl)c1 59116875 QIQHRBWSNIBTBK-AQTBWJFISA-N 453.325 6.127 50 10 JKGE Cc1ccccc1C(=O)N/N=C/c1ccc(Sc2nc3ccc([N+](=O)[O-])cc3s2)c([N+](=O)[O-])c1 59501327 MFTLNDMHVKFMIV-FSJBWODESA-N 493.526 5.336 50 10 JKGE CCOc1ccc(-c2csc(/C(C#N)=C\c3cc(Br)c(O)c(OC)c3)n2)cc1 97551120 OOBZEAZSFXARLO-NVNXTCNLSA-N 457.349 5.750 50 10 JKGE O=C(NC1CCCCC1)[C@H](c1ccc(Cl)cc1)N(CCc1ccccc1)C(=O)CCCl 97914425 QCLSFLWDAVWWOC-DEOSSOPVSA-N 461.433 5.530 50 10 JKGE N#C/C(=C/Nc1ccccc1I)c1nc(-c2ccc3c(c2)OCO3)cs1 100418853 SCXILFXTPIREAN-LCYFTJDESA-N 473.295 5.120 50 10 JKGE COc1ccc(CC[C@@H](Br)c2cc(Br)ccc2Br)cc1 109844521 RQUMYTAZBNJIBV-OAHLLOKOSA-N 463.007 6.289 50 10 JKGE Clc1ccccc1C(CBr)(CBr)Cc1ccc(Br)cc1 118878009 QKNCEWPZOZAQGZ-UHFFFAOYSA-N 481.453 6.373 50 10 JKGE Cc1cc([C@H](Br)c2csc(I)c2)c(C)cc1Br 123467305 SYIPPRYPIWVVTK-CYBMUJFWSA-N 486.010 6.216 50 10 JKGE Fc1cc(Br)cc(C[C@H](CBr)c2ccccc2Br)c1 125116105 GGYCOIXFXURYHD-LLVKDONJSA-N 450.971 6.072 50 10 JKGE Fc1ccc([C@@H](Br)c2ccc3cc(Br)ccc3c2)cc1Br 159680298 YVVUACZVCISQLV-KRWDZBQOSA-N 472.977 6.988 50 10 JKGE Cc1cc(Br)cc(CCl)c1OCc1ccc(I)cc1 160866516 AJTRQKJVQPYGAT-UHFFFAOYSA-N 451.529 5.680 50 10 JKGE CCOc1ccc([C@H](Br)c2cc(C)ccc2Br)c(Br)c1 161771918 NDCLMIZLIIKAGU-INIZCTEOSA-N 463.007 6.403 50 10 JKGE CCCCCCOc1ccc(/C=C(/C#N)C(=O)Nc2cc([N+](=O)[O-])ccc2OC)cc1OC 206257922 RJFTWQITKMSACL-AQTBWJFISA-N 453.495 5.117 50 10 JKGE COc1ccc(/C=C\C(=O)Oc2ccc(/C=C(/C#N)c3nc(-c4cccs4)cs3)cc2)cc1 210607310 FHOSZTWVDVIZRW-MXBYZYADSA-N 470.575 6.563 50 10 JKGE CCOC(=O)c1ccc(-c2ccc(/C=C3\C(=O)N([C@H](C)c4ccccc4)C(=O)C(C#N)=C3C)o2)cc1 214341426 STNKUNRNBCPLCJ-VKINRBECSA-N 480.520 5.477 50 10 JKGE N#C/C(=C/Nc1ccccc1N1CCOCC1)C(=O)Nc1ccccc1Sc1ccccc1 217243723 JVMUAJJERPDJEU-VXPUYCOJSA-N 456.571 5.132 50 10 JKGE Brc1cc([C@H](Br)[C@@H]2C[C@@H]2c2ccccc2)c(Br)s1 227018742 QFYJSQQFQNMCTQ-GIPNMCIBSA-N 451.021 6.513 50 10 JKGE CCCOc1ccc([C@H](Br)c2ccccc2Br)cc1Br 229008798 DGHSKUZKEYBRKI-INIZCTEOSA-N 463.007 6.485 50 10 JKGE ClCc1nc2cc(Br)cnc2n1-c1ccc(I)cc1Cl 232152741 AIIDSFNPFUPIHO-UHFFFAOYSA-N 482.934 5.180 50 10 JKGE ClCc1nc2cc(Br)cnc2n1-c1ccc(Cl)cc1I 232253242 BYKZTIYWSMSCLW-UHFFFAOYSA-N 482.934 5.180 50 10 JKGE Brc1ccc(I)cc1[C@@H](Br)Cc1ccncc1 232476267 UKBTWGLUXLLKDY-ZDUSSCGKSA-N 466.942 5.127 50 10 JKGE Clc1cccc(C[C@@H](Cl)c2cc(Br)ccc2I)c1 236029940 ZZDIROIXXXXFRJ-CYBMUJFWSA-N 455.948 6.230 50 10 JKGE Clc1ccc(COc2c(Br)cc(CBr)cc2Br)cc1 236041705 ODXJDGLJEAVXLC-UHFFFAOYSA-N 469.398 6.339 50 10 JKGE Fc1ccc(C[C@H](Br)c2cc(Br)ccc2I)cc1 236168911 PMMHKONVBOKVGB-ZDUSSCGKSA-N 483.944 5.872 50 10 JKGE Fc1ccc([C@H](Br)c2cc(F)c(F)cc2Cl)c(I)c1 236247041 OGLCSIOFXPSARO-ZDUSSCGKSA-N 461.446 5.846 50 10 JKGE CC(=NNC(=O)c1sc2ccccc2c1Cl)c1cccc(NS(=O)(=O)c2ccccc2)c1 252610243 HZOCWQSDBSUEFW-UHFFFAOYSA-N 484.002 5.510 50 10 JKGE Clc1cc(Br)cc([C@H](Cl)c2cc(I)cc3c2OCC3)c1 312406692 WFAZUPZIAWLDCD-AWEZNQCLSA-N 483.958 5.970 50 10 JKGE O=C(Nc1cccc(CCCl)c1)c1cc(Br)ccc1I 313137889 YALUENIMCMWAAK-UHFFFAOYSA-N 464.528 5.087 50 10 JKGE Cc1ccc(C)c(COc2c(Br)cc(Br)cc2CBr)c1 383632523 JHSHIZSTGXRMTN-UHFFFAOYSA-N 463.007 6.302 50 10 JKGE Cc1oc(Br)cc1[C@H](Br)c1cc2c(cc1Br)OCC2 396506175 MMZMGSGSYAFGMZ-AWEZNQCLSA-N 450.952 5.532 50 10 JKGE C[C@H]1[C@@H](C)N(c2ccc(CBr)cc2Br)C[C@@H](C)N1Cc1ccccc1 404274021 MNQLURAHGZOEFJ-IXDOHACOSA-N 466.261 5.832 50 10 JKGE CC(C)(C)OC(=O)N1c2ccccc2CC[C@H]1c1ccccc1CO[Si](C)(C)C(C)(C)C 616666629 OALBAVBEOXWSSD-DEOSSOPVSA-N 453.699 7.637 50 10 JKGE FC(F)(F)c1ccc(Cl)c([C@@H](Br)c2cc(Cl)c(Br)s2)c1 695014505 MSOSDQGSHNLTTI-SNVBAGLBSA-N 468.947 7.321 50 10 JKGE C[C@@H](Cl)c1nc2cc(I)ccc2n1Cc1ncc(Br)s1 714928032 UMUYOKFPTGUZQR-SSDOTTSWSA-N 482.572 5.208 50 10 JKGE Fc1cc(Br)cc(CBr)c1OCc1ccc(Br)cc1 715815517 XEFXLAFAVVNFAM-UHFFFAOYSA-N 452.943 5.825 50 10 JKGE Fc1cc(C[C@@H](CBr)Cc2ccccc2Br)ccc1Br 722017728 UHWDDAKXQVNBBS-GFCCVEGCSA-N 464.998 6.147 50 10 JKGE Cc1sc([C@H](Cl)c2scc(Br)c2Br)c(C)c1Br 724913968 INEQHCWXWSAVFW-VIFPVBQESA-N 479.484 7.042 50 10 JKGE CCOc1cc(C=NNC(=O)c2ccccc2Br)ccc1OCc1ccccc1Cl 1083897040 OPABKZLKOQIVAA-UHFFFAOYSA-N 487.781 5.844 50 10 JKGE CC1=CC(C=NNC(=O)CC[C@H](O)c2ccccc2)=C(C)[C@@H]1c1ccc(OCc2ccccc2)cc1 1084072861 IRNRIQQPEMIKLQ-IGYGKHONSA-N 480.608 6.241 50 10 JKGE C=C(C)[C@@H]1CC=C(C)C(=NNC(=O)COc2c(C)cc(Br)cc2Br)C1 1084133999 QEHWRHMAHRUEPA-CQSZACIVSA-N 470.205 5.303 50 10 JKGE COc1ccc(C(=O)NN=Cc2c(Br)c(C)n(-c3cc(C)ccc3C)c2C)cc1 1084325536 RFWWVXOLXWFHJI-UHFFFAOYSA-N 454.368 5.246 50 10 JKGE O=C(CSc1c(Cl)c(Cl)c(Cl)c(Cl)c1Cl)NN=Cc1ccccc1Cl 1084568145 FUOPPSNFELXLHL-UHFFFAOYSA-N 477.027 6.849 50 10 JKGE Cc1c(C(=O)Nc2ccccc2F)oc2c1C(=NNC(=O)c1ccccc1Br)CCC2 1772743732 GRJIMZSSWKSORE-UHFFFAOYSA-N 484.325 5.212 50 10 JKGE Cc1cccc(C(C)C)c1NC(=O)COc1cccnc1NC(=O)Nc1ccc(SC#N)cc1 1858836404 VAFUONPBUHBWMS-UHFFFAOYSA-N 475.574 5.748 50 10 JKGE CCOC(=O)c1c(NC(=O)C(=O)Nc2ccc(SC#N)cc2)sc(C)c1-c1ccccc1 1860747317 DKYAENISNXDBDF-UHFFFAOYSA-N 465.556 5.051 50 10 JKGE Cc1nn(Cc2ccc(Cl)c(Cl)c2)c2c1[C@H](c1cccc3ccccc13)C(C#N)=C(N)O2 1865682812 XYSIOMRIRMIYKQ-HSZRJFAPSA-N 461.352 5.918 50 10 JKGE COc1ccc(-c2nn(-c3ccccc3)c3c2[C@H](c2ccc(Cl)cc2Cl)C(C#N)=C(N)O3)cc1 1865684955 BJJUUCPPTRQURP-JOCHJYFZSA-N 489.362 6.073 50 10 JKGE Cc1nn(-c2cccc(Cl)c2)c2c1[C@H](c1ccc(OCc3ccccc3)cc1)C(C#N)=C(N)O2 1865690318 OMPQHLDRQIKEJJ-RUZDIDTESA-N 468.944 5.631 50 10 JKGE CCCCCOc1ccc([C@@H]2C(C#N)=C(N)Oc3c2c(C)nn3-c2ccc(C)cc2)cc1OCC 1865691052 ICNCEOWNVVGEOD-AREMUKBSSA-N 472.589 5.675 50 10 JKGE CCCOc1c(OC)cccc1[C@H]1C(C#N)=C(N)Oc2c1c(C)nn2Cc1c(F)cccc1Cl 1865692785 IDZAGSVYPQCEJP-QFIPXVFZSA-N 482.943 5.048 50 10 JKGE N#CC1=C(N)Oc2c(c(-c3ccccc3)nn2-c2cccc(Cl)c2)[C@@H]1c1c[nH]c2ccccc12 1865700395 RTBNVQOUVFGPQV-QHCPKHFHSA-N 463.928 5.892 50 10 JKGE CCCOc1ccccc1[C@H]1C(C#N)=C(N)Oc2c1c(-c1ccccc1)nn2-c1ccc(C)cc1 1865703289 SLUNSCXREMDYNN-VWLOTQADSA-N 462.553 5.855 50 10 JKGE CCc1nn(CC(C)C)c2c1[C@@H](c1ccccc1OCc1ccc(Cl)cc1)C(C#N)=C(N)O2 1865703989 KHFMKLSGTAVHHK-QHCPKHFHSA-N 462.981 5.552 50 10 JKGE CCCCCOc1ccc(/C=C(/C(=O)Nc2ccc(SC#N)cc2)c2ccccc2)cc1OC 1865909065 FNNJTFVWFJWBGS-XIEYBQDHSA-N 472.610 7.017 50 10 JKGE N#C/C(=C\c1ccc(Br)cc1)C(=O)N1CCN(C(c2ccccc2)c2ccccc2)CC1 1866367831 NKDANILZRYPHMD-LYBHJNIJSA-N 486.413 5.290 50 10 JKGE CCC[C@@H](NC(=O)Cc1nc(-c2cccc(Cl)c2)oc1C)C(=O)Nc1ccc(SC#N)cc1 1866663398 SVKJDZHXGJYROJ-HXUWFJFHSA-N 482.993 5.343 50 10 JKGE CC[C@@](C)(NC(=O)[C@H](c1ccc(Br)cc1)C(C)C)C(=O)Nc1ccc(SC#N)cc1 1866975106 VXJDTYUDYXKDOA-NZQKXSOJSA-N 488.451 5.685 50 10 JKGE Cc1ccc(C)c2c1C[C@H](C)CN2c1cc(Nc2ccc(SC#N)cc2)nc(Cc2ccccc2)n1 1868208176 UVCJWEYLTZUJCA-FQEVSTJZSA-N 491.664 7.331 50 10 JKGE Cc1ccccc1-c1nc(Nc2ccc(SC#N)cc2)cc(N2CCO[C@@H](c3ccncc3)C2)n1 1868300640 GJVUQCWJFBDYKA-XMMPIXPASA-N 480.597 5.742 50 10 JKGE Cc1cc(C)c(C)c(-c2csc(/C(C#N)=C(\O)[C@@H](CC(C)C)N3C(=O)c4ccccc4C3=O)n2)c1C 1872754098 CALWXXBOFFAYOH-NSEBISDSSA-N 499.636 6.547 50 10 JKGE COc1c(Cl)cc(-c2csc(/C(C#N)=C(\O)Cc3cc(Cl)ccc3Cl)n2)cc1Cl 1872755969 OJMMOFSXENRQTQ-AQTBWJFISA-N 486.207 7.468 50 10 JKGE COc1ccc(OCCC/C(O)=C(\C#N)c2nc(-c3ccc(OC)c(Cl)c3)cs2)cc1 1872757470 HVHORKKSUNUAGK-UZYVYHOESA-N 456.951 6.133 50 10 JKGE COc1ccc(/C=C/C(O)=C(\C#N)c2nc(-c3ccc(OC)c4ccccc34)cs2)cc1OC 1872758633 JELCFOXGSUNPID-ARDXNMSASA-N 470.550 6.495 50 10 JKGE COc1cc(/C=C(\C#N)c2nc(-c3ccc(Cl)s3)cs2)ccc1OCCCc1ccccc1 1872794777 WGJQHEDDTXSHPP-XSFVSMFZSA-N 493.053 7.609 50 10 JKGE CC(C)(C)OC(=O)N1CCC[C@H]1C(=O)N/N=C/c1cccc(OCc2ccc(Cl)cc2Cl)c1 1873793279 GVNXAWIKTWEVKD-XYGFXTTESA-N 492.403 5.422 50 10 JKGE COc1cc(Br)c(C)cc1[C@H](Br)c1c(C)nsc1Br 1912942626 OZRHPDSYFHCGSH-LBPRGKRZSA-N 470.024 5.778 50 10 JKGE CC[C@H](Br)CN(Cc1ccccc1)C(=O)c1cc(Br)cc([N+](=O)[O-])c1 1915097494 WCXMMPQSBIRTEB-HNNXBMFYSA-N 470.161 5.173 50 10 JKGE O=C(c1cc(Cl)cc(Br)c1)N(Cc1ccccc1)[C@@H](CBr)C1CC1 1915310687 BWONBNRGIKXLMW-SFHVURJKSA-N 471.620 5.918 50 10 JKGE C[C@H](c1ccncc1Br)[C@H](Br)c1c(F)cccc1Br 1924042236 ZHTLLSLMAXAMKW-CLAHSXSESA-N 451.959 5.985 50 10 JKGE Clc1sc(Cl)c([C@@H](Br)c2ccccc2OCc2ccccc2)c1Cl 1925601666 XEZURAZSCYZDIY-HNNXBMFYSA-N 462.623 7.772 50 10 JKGE O=C(N[C@H](CBr)CC1CCCC1)c1ccc(I)c(Cl)c1 1926734364 DAOJXYBVOZBNFZ-LBPRGKRZSA-N 470.576 5.018 50 10 JKGE CN(CCN(Cc1ccccc1)c1cc(Br)ccc1CCl)Cc1ccccc1 1931965385 MPKNJWIMWKWMER-UHFFFAOYSA-N 457.843 6.327 50 10 JKGE O=C(c1cscc1OCc1ccccc1)N(Cc1ccccc1)[C@H](CBr)C1CC1 1934835585 GPFPUGUREZOBTR-JOCHJYFZSA-N 470.432 6.143 50 10 JKGE Clc1cc(Br)c([C@H](Cl)c2ccc(I)c(Cl)c2)s1 1948824325 XGKGPBFYEZFLBX-SNVBAGLBSA-N 482.395 6.750 50 10 JKGE Fc1ccc([C@H](Br)c2sc(Cl)cc2Br)cc1Br 1948829630 VVLLPDJJYJAFHY-JTQLQIEISA-N 463.391 6.550 50 10 JKGE COc1ccc(Br)cc1[C@H](Br)c1cscc1OCc1ccccc1 1950319777 JEBNAPSCZWVPFK-IBGZPJMESA-N 468.210 6.583 50 10 JKGE CC1(F)CC([C@H](Cl)c2c(Br)sc(Br)c2Br)C1 1986898750 AGYGINSFNONNJB-JGPKUNILSA-N 455.412 6.454 50 10 JKGE C[C@@H]1[C@@H](OC2(CI)CCN(C(=O)OC(C)(C)C)CC2)CCC[C@H]1C 2022947806 NHSQCHXSDKXRRI-PMPSAXMXSA-N 451.389 5.032 50 10 JKGE Cc1cc(Cl)c(Br)cc1[C@H](Br)c1csnc1Br 2023705828 MCOQSKSGLRYMBT-JTQLQIEISA-N 460.416 6.114 50 10 JKGE CCCc1ccc([C@H](Cl)c2cc(I)ccc2Br)s1 2027136733 QACJXXWJBQSFPU-CQSZACIVSA-N 455.586 6.396 50 10 JKGE CCc1ccc(CCl)cc1S(=O)(=O)N(CCN(C)Cc1ccccc1)Cc1ccccc1 2034751544 PIDVCIQZJNKKOK-UHFFFAOYSA-N 471.066 5.311 50 10 JKGE Brc1cc([C@H](Br)[C@H]2CCCCC23CCC3)sc1Br 2053372929 ZRTDFYDYEKPPLL-BXKDBHETSA-N 457.069 7.070 50 10 JKGE CCOc1ccc([C@@H](Cl)c2cc(I)sn2)c(Br)c1 2056487548 MHDIXMOMCYKNAM-GFCCVEGCSA-N 458.546 5.237 50 10 JKGE COc1cc([C@@H](Br)c2cc(Cl)c(Br)s2)ccc1Br 2072060286 BQMVQSZICKYRAN-LLVKDONJSA-N 475.427 6.419 50 10 JKGE CCN(C[C@@](C)(CI)OC1CC2(CCCCC2)C1)C(=O)OC(C)(C)C 2073139739 YYPOSMQPEDVGEC-LJQANCHMSA-N 465.416 5.567 50 10 JKGE C[C@@H]1Cc2cc([C@@H](Br)c3ccc(Br)s3)cc(Br)c2O1 2090466294 DJPIVOKFCLRULZ-FUXBKTLASA-N 467.020 6.081 50 10 JKGE COc1ccc([C@@H](Br)c2cccc(Br)c2Br)cc1Cl 2092329219 TXMQLZPZRKTCAK-CYBMUJFWSA-N 469.398 6.358 50 10 JKGE O=C(c1scc(Br)c1Br)N1CC2(CCC2)C[C@H]1CBr 2095169215 WPTGIOLLQLNJHK-QMMMGPOBSA-N 472.040 5.053 50 10 JKGE BrCc1cc(Br)cc(Br)c1OC[C@H]1CCCCCO1 2096334388 QPQJMGWBJHUDOC-GFCCVEGCSA-N 457.000 5.445 50 10 JKGE C[C@@H]1CC[C@@H](CC(CBr)(CBr)c2cccc(Br)c2)C1 2101720719 COSZFOVYPUTMAJ-CHWSQXEVSA-N 453.056 6.303 50 10 JKGE CC[C@@H]1CN(C(=O)OCc2ccccc2)[C@H](CC)CN1CC1(CBr)CCCCC1 2106705255 CAJCYBIARYMAST-FGZHOGPDSA-N 465.476 5.843 50 10 JKGE Clc1cccc([C@@H](Br)CCc2cc(Br)ccc2Br)c1 2118529212 CDEABMSUSBTIDX-AWEZNQCLSA-N 467.426 6.934 50 10 JKGE Cc1c(Br)ccc([C@H](Br)C23CCCC2CCC3)c1Br 2138849768 FQNADOBPHBXPDF-AJQRCPHMSA-N 451.040 6.926 50 10 JKGE Cc1ccc(OCc2ccc(I)c(Cl)c2)c(CBr)c1 2142944728 CPJSIJQZXDQYJO-UHFFFAOYSA-N 451.529 5.727 50 10 JKGE Clc1cc(C[C@@H]2C[C@@H]3CCCC[C@H]3[C@@H]2Br)ccc1I 2142951804 CLGCNUVVODKWPW-VPWBDBDCSA-N 453.589 6.077 50 10 JKGE Brc1ccc(C[C@@H]2CCc3ccccc3[C@@H]2Br)c(Br)c1 2148684773 ICJUJIPXLASCOX-SUMWQHHRSA-N 459.019 6.453 50 10 JKGE Cc1cc(Br)c([C@@H](Cl)c2ccsc2S(C)(=O)=O)cc1Br 2150545256 LCUICOVNZPRNON-LBPRGKRZSA-N 458.624 5.313 50 10 JKGE Cc1sc(Br)cc1[C@@H](Br)c1cc(Br)cc2c1OCCC2 2152048496 WEQBYJZCNQOSNJ-CQSZACIVSA-N 481.047 6.391 50 10 JKGE C[C@H](Br)C12CCC(CC1)N2C(=O)c1cc(Br)ccc1Br 2153385667 HIQCXQJMVSIDON-IEBVAXJPSA-N 466.011 5.132 50 10 JKGE COc1ccc(C[C@@H](Br)c2cc(Br)cc(Br)c2)cc1F 2168405922 SBLZXLZVGKNRHU-CYBMUJFWSA-N 466.970 6.038 50 10 JKGE Cc1c(F)cc(CBr)cc1S(=O)(=O)N(Cc1ccccc1)Cc1cccs1 2179857561 AXZVRXWDXODHSJ-UHFFFAOYSA-N 468.413 5.482 50 10 JKGE COC1(C(F)(F)F)CC([C@@H](Br)c2c(Cl)sc(Br)c2Cl)C1 2182018678 DOKBXMFTQQLMAZ-DJQPPXJLSA-N 476.967 6.611 50 10 JKGE FC1(F)CC2(C[C@@H]2COc2c(Br)cc(CBr)cc2Br)C1 2189565773 UMVWWHYQWQUIAO-SECBINFHSA-N 474.965 5.921 50 10 JKGE COc1cc([C@H](Br)c2cc(C3CC3)c(Br)s2)ccc1Br 2192152470 QYJYXUNNIJKJDR-AWEZNQCLSA-N 481.047 6.643 50 10 JKGE COc1ccc([C@@H](Br)c2ccc(Br)c(Cl)c2)c(Cl)c1Cl 2203433738 SCHAKUJQDXJKQB-LBPRGKRZSA-N 459.392 6.902 50 10 JKGE Brc1ccc([C@@H](Br)[C@@H]2CCCc3ccccc32)c(Br)c1 2203686021 MENZVWNFOSOMSA-PBHICJAKSA-N 459.019 6.768 50 10 JKGE Cc1c(Br)ccc([C@@H](Br)[C@H]2[C@H]3CC[C@@H](C3)C2(C)C)c1Br 2203692301 MSNLKNXMUFNNPK-FNNPODNZSA-N 465.067 7.028 50 10 JKGE FC1(F)C[C@@H](Cl)[C@@H](c2sc(Br)c(Br)c2Br)C1 2212199911 HPXQNNKVKLZEIR-IUYQGCFVSA-N 459.375 6.156 50 10 JKGE FC(F)(F)[C@@H]1C[C@H]1[C@@H](Br)c1c(Br)cc(Cl)c(Cl)c1Cl 2224322772 QFOKASRIWKLRIT-TTWOZLTLSA-N 461.330 7.044 50 10 JKGE Fc1cc(Br)c(Br)cc1[C@H](Br)[C@@H]1C[C@H]2CCCC[C@H]21 2225615734 KWDFGCXAXFAAOQ-JLMZIUSGSA-N 455.003 6.613 50 10 JKGE CC1(C)CCCC[C@H]1[C@@H](Br)c1cc(Br)c(Br)cc1F 2225617279 NPAQZPVCJGSYJJ-HZMBPMFUSA-N 457.019 7.003 50 10 JKGE Cc1c(Br)ccc([C@H](Br)[C@@H]2OC[C@H]3CCCC[C@H]32)c1Br 2233185197 DSVFLUIJPMNLKN-NSLUBLRVSA-N 467.039 6.161 50 10 JKGE Cc1sc([C@@H](Cl)c2cc(I)cc3c2OCC3)c(C)c1Br 2234468447 FXPVQYGKOKXNAI-ZDUSSCGKSA-N 483.596 5.995 50 10 JKGE COc1cc(F)c(Br)cc1[C@@H](Br)c1sc(C)c(C)c1Br 2237629976 PCPSNWVISKSFLT-CYBMUJFWSA-N 487.026 6.522 50 10 JKGE O=C(c1csc(Br)c1Br)N1[C@H](CBr)C[C@@H]2CCCC[C@@H]21 2240738780 SPALBWUWLQOOQK-QXEWZRGKSA-N 486.067 5.441 50 10 JKGE Brc1cccc(Br)c1CN1C[C@H](Br)CC12CCCCC2 2241055453 WNUQAUBBIUIRGG-GFCCVEGCSA-N 466.055 5.884 50 10 JKGE COc1cccc([C@H](Br)c2cc(Br)c(Br)s2)c1Cl 2256320257 BPQJIKUNZSFVKD-JTQLQIEISA-N 475.427 6.419 50 10 JKGE Fc1cccc(Cl)c1C[C@@H](Br)c1ccc(Cl)c(I)c1 2268322973 KLJVXTCMEXYUNY-SNVBAGLBSA-N 473.938 6.416 50 10 JKGE CCN[C@H](c1c(F)cc(Br)c(F)c1Br)[C@H]1C[C@H](Br)C1 2272905263 YYEANLVRNNMZMP-MREMCGJQSA-N 461.970 5.314 50 10 JKGE Brc1cc(Br)cc(C[C@H](Br)C23CCCC2CCC3)c1 2277952371 FCBLZIXMVOOTHZ-NRAUKZCXSA-N 451.040 6.488 50 10 JKGE CC1CC2(C1)CC([C@H](Br)Cc1cc(Br)cc(Br)c1)C2 2277955170 HPFOWBUXGDHZIB-MYRMLFMNSA-N 451.040 6.344 50 10 JKGE Brc1cc(Br)cc(C[C@H](Br)C[C@@H]2CCCC23CC3)c1 2277955653 KLQAJOVLHHBSQI-STQMWFEESA-N 451.040 6.488 50 10 JKGE C[C@H]1Cc2cc(Br)cc([C@@H](Cl)c3scc(Br)c3Cl)c2O1 2279291860 IGZASUUHTNGLKR-UPONEAKYSA-N 457.014 6.578 50 10 JKGE COc1c([C@H](Br)c2cccc(Br)c2)cc(Br)c(C)c1C 2284589043 IQYYSKNJTFQYFV-OAHLLOKOSA-N 463.007 6.321 50 10 JKGE COc1ccc([C@@H](Br)[C@H]2CC(F)(F)C23CCC3)cc1I 2285013212 TZZMOMVFIVISQG-ZWNOBZJWSA-N 457.096 5.561 50 10 JKGE Cc1cc(Br)c([C@@H](Br)C2CC3(CC(C)C3)C2)c(C)c1Br 2287846184 IWAZUJNCLYYGAF-SRKWDSJWSA-N 465.067 7.091 50 10 JKGE COC[C@@]1([C@@H](Br)c2c(F)cc(Br)c(F)c2Br)CCCO1 2288498607 IRAQYUGWAJPFFW-QWHCGFSZSA-N 478.953 5.121 50 10 JKGE C=CCOc1c(Br)cc(C=C(C#N)C(=O)N[C@H](C)c2ccccc2)cc1Br 2294522407 ZPJWOWAJNFQABW-CQSZACIVSA-N 490.195 5.561 50 10 JKGE COc1ccc(C=C(C#N)C(=O)Nc2ccc(Cl)cc2)cc1Oc1nc(Cl)ncc1F 2294746012 KYTIBDVTSPVIHJ-UHFFFAOYSA-N 459.264 5.269 50 10 JKGE COc1c(Br)cc(Cl)cc1[C@@H](Cl)c1ccc(C)c(I)c1 2295278152 YZYUFUWCWCOWKJ-AWEZNQCLSA-N 485.974 6.352 50 10 JKGE CCOC(=O)c1c(-c2ccc(C)cc2)csc1NC(=O)C(C#N)=Cc1ccc(Cl)cc1 2296500321 HBZXSRGCMHEAGO-UHFFFAOYSA-N 450.947 6.099 50 10 JKGE CCCOc1ccc(-c2nn(-c3ccccc3)cc2C=C(C#N)c2nc3ccccc3s2)cc1 2296545270 BMYLDEGQTIAJBB-UHFFFAOYSA-N 462.578 7.002 50 10 JKGE O=C(COc1ccc(C=NNC(=O)c2ccc(Cl)cc2)cc1)c1ccc(-c2ccccc2)cc1 2296645815 BQGGKOZEHFOHBY-UHFFFAOYSA-N 468.940 6.033 50 10 JKGE C[C@@]1([C@@H](Br)c2ccc(OCc3ccccc3)cc2Br)COCCO1 2299491269 DLQHGVNYKWHXSU-OALUTQOASA-N 456.174 5.270 50 10 JKGE CCCN[C@H](c1cc(Br)ccc1OCc1ccccc1)[C@@H]1C[C@H]1Br 2299496515 NTHWVIOEXVQMJM-POAQFYNOSA-N 453.218 5.852 50 10 JKGE C[C@H](C(F)F)[C@@H](Br)c1c(Cl)cc(Br)c(F)c1Br 2300174360 PMCOFRHHSXLIJC-CLTAVNFZSA-N 459.325 6.341 50 10 JKGE Cc1c(Br)sc([C@@H](Cl)c2c(Br)ncn2C)c1Br 2300267085 FQMUEHSLXUXVOG-LURJTMIESA-N 463.420 5.406 50 10 JKGE CCOc1cc(C=C(C#N)c2ccc([N+](=O)[O-])cc2)cc(Br)c1OCc1ccccc1 2313541146 WQJHTBOCZGPRDX-UHFFFAOYSA-N 479.330 6.399 50 10 JKGE C=CCc1cc(C=C(C#N)C(=O)Nc2ccc(C)cc2)cc(OC)c1OCc1ccc(C(=O)O)cc1 2313568047 OGGTVEDIPXSVQA-UHFFFAOYSA-N 482.536 5.555 50 10 JKGE COc1cc(C=C(C#N)C(=O)Nc2cccc(Cl)c2Cl)cc(Br)c1OC 2313570731 DZJZZRXPDZYDHI-UHFFFAOYSA-N 456.123 5.319 50 10 JKGE COc1cc(C=C(C#N)C(=O)Nc2cccc(Cl)c2C)ccc1OCc1cccc(Cl)c1 2313738868 VFNQCLFDQDCETC-UHFFFAOYSA-N 467.352 6.435 50 10 JKGE CSc1ccccc1[C@H](Br)c1cc(Br)ccc1OCc1ccccc1 2314449080 MZXRKTFGMOIAKR-NRFANRHFSA-N 478.249 7.234 50 10 JKGE Brc1cc(OCc2ccccc2)ccc1[C@H](Br)[C@H]1C[C@@]12CCCOC2 2314500632 PNTITYFYAPHHIA-HLAWJBBLSA-N 466.213 6.281 50 10 JKGE Brc1cc(OCc2ccccc2)ccc1[C@H](Br)C1CC2(C1)CC21CC1 2314501639 ZVYPUSVUNPFNPI-PWOUQQLPSA-N 462.225 7.044 50 10 JKGE Cc1ccc(Oc2nc3c(C)cccn3c(=O)c2C=C(C#N)C(=O)Nc2cc(C)ccc2C)cc1 2314531813 FDKYUMHUSHDRLH-UHFFFAOYSA-N 464.525 5.266 50 10 JKGE CCOc1ccc(N2C(=O)[C@H](Cc3ccc(C)c(C)c3)SC2=C(C#N)C(=O)Nc2ccccc2)cc1 2314592647 ZKQNBMJFOHWAGN-SANMLTNESA-N 497.620 5.767 50 10 JKGE C=CCNC(=O)C(C#N)=C1S[C@@H](Cc2ccc(Cl)c(Cl)c2)C(=O)N1c1ccc(CC)cc1 2314593057 GSQOXRNJYCAOSL-NRFANRHFSA-N 486.424 5.284 50 10 JKGE Cc1ccc(N2C(=O)[C@@H](Cc3ccccc3F)SC2=C(C#N)C(=O)N[C@@H](C)c2ccccc2)cc1C 2314593118 HTCAHFJSCYROTG-RXFWQSSRSA-N 499.611 5.746 50 10 JKGE CCCCCCOc1ccc(C=C2C(=O)N(C3CCCCC3)C(=O)C(C#N)=C2C)cc1OC 2314617401 XPIVLSRNXCXUTG-UHFFFAOYSA-N 450.579 5.579 50 10 JKGE CSc1ccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)C=Cc4ccccc4Cl)ccc32)cc1 2314634377 JYMOPMNSYFXYKD-RUZDIDTESA-N 474.969 5.899 50 10 JKGE Cc1cc(Br)cc(CCl)c1OCc1sccc1I 2316755451 TYYXNMRKOWUTCR-UHFFFAOYSA-N 457.558 5.741 50 10 JKGE Cc1cc(Br)c(F)c(Br)c1[C@@H](Br)c1csc(Cl)c1 2317398791 LAOPPCYNLODKHE-JTQLQIEISA-N 477.418 6.858 50 10 JKGE Cc1cc(Br)c(F)c(Br)c1[C@@H](Cl)c1csnc1Br 2317402725 GZNXVIAZCNHOQL-VIFPVBQESA-N 478.406 6.206 50 10 JKGE COC(C)(C)C1([C@H](Br)c2c(Br)sc(Br)c2Cl)CC1 2320464417 YXYROSIZCONQGN-MRVPVSSYSA-N 481.475 6.568 50 10 JKGE BrCC[C@@H]1CCCN(Cc2ccc(I)c(Br)c2)C1 2325221200 DZHSVDZELQNEIW-NSHDSACASA-N 487.017 5.051 50 10 JKGE CCOC(=O)c1c(-c2ccc(C)c(C)c2)csc1NC(=O)C(C#N)=Cc1ccc(OC)cc1 2329622189 PKYFDGUHETUUSN-UHFFFAOYSA-N 460.555 5.763 50 10 JKGE N#CC(=Cc1cccc(OCc2c(Cl)cccc2Cl)c1)c1cc2c(cc1[N+](=O)[O-])OCCO2 2331051605 PRPKPESSWWJWBH-UHFFFAOYSA-N 483.307 6.316 50 10 JKGE CCCCc1ccc(N2C[C@H](C(O)=C(C#N)c3nc(-c4ccc(F)cc4F)cs3)CC2=O)cc1 2331286528 FEGLYENFHDLPCS-QGZVFWFLSA-N 479.552 6.277 50 10 JKGE COc1ccc(-c2csc(C(C#N)=C(O)c3ccc(N4CCCC4)c([N+](=O)[O-])c3)n2)cc1F 2331337767 YVLXIRODJMILJK-UHFFFAOYSA-N 466.494 5.416 50 10 JKGE Cc1nc2ccc(C(O)=C(C#N)c3nc(-c4ccc(Oc5ccccc5)cc4)cs3)cc2nc1C 2331358995 NUTRNEXKVFDQSN-UHFFFAOYSA-N 476.561 7.112 50 10 JKGE COc1cc(C(O)=C(C#N)c2nc(-c3cc(C)cc(C)c3OC)cs2)c([N+](=O)[O-])cc1OC 2331376151 IUKVPUDBPWBQNO-UHFFFAOYSA-N 467.503 5.311 50 10 JKGE COc1cc(-c2csc(C(C#N)=C(O)C=Cc3ccc(Cl)c(Cl)c3)n2)c(OC)cc1Cl 2331376939 MIOUCSYJRDXTNQ-UHFFFAOYSA-N 493.799 7.294 50 10 JKGE CCCOc1ccc(-c2csc(C(C#N)=Cc3cccc(OC)c3OCC)n2)cc1OCCC 2331437885 KZVCZNLZKJEBSL-UHFFFAOYSA-N 478.614 6.859 50 10 JKGE CCCCCOc1ccc(C=C(C#N)c2nc(-c3cc(Cl)ccc3OC)cs2)cc1OCC 2331491929 XUCFDNXMALJWQF-UHFFFAOYSA-N 483.033 7.504 50 10 JKGE Brc1ccc(OCc2ccccc2)c([C@H](Br)C2C[C@H]3CCC[C@H](C2)C3)c1 2336044434 OBOLNEKMYVBXAB-IUKKYPGJSA-N 478.268 7.681 50 10 JKGE CC[C@]1([C@H](Br)c2c(Cl)cc(Br)c(F)c2Br)CC1(F)F 2337110851 FTMMBBUQHSXOIL-GHMZBOCLSA-N 485.363 6.876 50 10 JKGE COc1cc(Cl)c([C@H](Br)c2c(Br)ncn2C)cc1Br 2337317966 UXCGCIUAVIENMA-JTQLQIEISA-N 473.390 5.091 50 10 JKGE CCC(F)(F)C[C@H](Br)c1c(C)cc(Br)c(OC)c1Br 2339692553 ZKDYCQYNXBOQME-VIFPVBQESA-N 464.970 6.400 50 10 JKGE Cc1cc(OCc2ccc(Cl)cc2I)cc(CBr)n1 2340113506 WMWGEHXJPBZZRK-UHFFFAOYSA-N 452.517 5.122 50 10 JKGE Cl[C@@H]1C[C@H](OCc2cc(I)ccc2Br)C12CCCC2 2341835560 AACROJFULXDSBZ-KGLIPLIRSA-N 455.561 5.510 50 10 JKGE CC1=C(C)C[C@](CBr)(Cc2cc(Br)ccc2Br)CC1 2343455578 HSPMQZDSCNKJGS-INIZCTEOSA-N 451.040 6.656 50 10 JKGE Fc1ccccc1C[C@@H](Br)c1c(Cl)cc(Br)c(F)c1Br 2362231586 XZLPIUGLKAEOJS-MRVPVSSYSA-N 489.379 6.822 50 10 JKGE COc1ccc([C@@H](Br)c2ccc(Cl)cc2I)c(OC)c1 2365591741 IIIPUOBUHBAIHX-HNNXBMFYSA-N 467.528 5.446 50 10 JKGE C[C@@H](Br)C[C@H]1CCCCCN1Cc1ccc(Cl)cc1I 2366738561 NLIAYJWAMOIRQM-IUODEOHRSA-N 470.620 5.863 50 10 JKGE FC(F)(F)[C@H]1C[C@@H]([C@@H](Br)c2cc(I)cc3c2OCC3)C1 2380887929 RQVBAPYSJHREAB-VDDIYKPWSA-N 461.059 5.251 50 10 JKGE CCN(CC)c1ccc(/C=C(\NC(=O)c2ccccc2Cl)C(=O)N/N=C/c2ccc(F)cc2)cc1 20072282 LDXCSDQAICZLRU-GHEWLKJUSA-N 492.982 5.247 50 10 JKGE O=C(CSc1nc2ccccc2[nH]1)N/N=C/c1cccc(OCc2cccc(Cl)c2)c1 32520543 ALLPOFLGLUQPGZ-DHRITJCHSA-N 450.951 5.038 50 10 JKGE CCOC(=O)c1c(-c2ccc(Cl)cc2)csc1NC(=O)/C(C#N)=C\c1ccc(OC)c(OC)c1 33330561 OTBFDAGKBFEHHR-BOPFTXTBSA-N 496.972 5.808 50 10 JKGE N#Cc1c(NC(=O)c2ccccc2C[C@@H](Cl)C#N)oc(-c2ccccc2)c1-c1ccccc1 33809945 SOZDFRZTPUXHDV-OAQYLSRUSA-N 451.913 6.411 50 10 JKGE CN(C)c1ccc(N2C(=O)CS[C@H]2c2ccc(NC(=O)[C@@H](Cl)c3ccccc3)cc2)cc1 35928460 SPYLDYILZJGUQQ-ZCYQVOJMSA-N 466.006 5.450 50 10 JKGE COc1cc(CBr)cc(Br)c1OCc1ccc(F)cc1Br 36815515 KGEVLMRZWHGARA-UHFFFAOYSA-N 482.969 5.833 50 10 JKGE Cc1ccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4ccccc4Br)ccc32)cc1 38649161 JISBSDOKNZMDJR-QFIPXVFZSA-N 461.315 5.195 50 10 JKGE CCOc1cccc(C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@@H]3c2ccc(Cl)cc2Cl)c1 38655521 PLHKRWJYGYVPJT-HSZRJFAPSA-N 481.335 5.829 50 10 JKGE O=C(CSc1nc(-c2ccccc2)cs1)N/N=C/c1ccc(OCc2ccccc2)cc1 40924329 NJKADFNNDUGALW-CVKSISIWSA-N 459.596 5.632 50 10 JKGE CCCCCCOc1ccc(/C=C(\C#N)C(=O)Nc2ccc(Br)cc2Cl)cc1OC 64985155 KPMJFCULWMDYRQ-SFQUDFHCSA-N 491.813 6.616 50 10 JKGE Cc1ccc(C)c(OCCCC(C)(C)C(=O)NNC(=O)c2sc3ccccc3c2Cl)c1 66201407 LTXLUOCQDMGAJW-UHFFFAOYSA-N 459.011 5.818 50 10 JKGE CC(C)N1CC2=C(OC(N)=C(C#N)[C@@H]2c2cccc(Cl)c2)/C(=C\c2cccc(Cl)c2)C1 96568929 XMKIULFQILPFQK-UOQNSFNTSA-N 452.385 5.863 50 10 JKGE CCc1ccc(N2C(=O)[C@@H](Cc3ccccc3C)S/C2=C(/C#N)C(=O)NCc2ccccc2)cc1 101240794 AFUHNIVIFNSDOB-SJCFVWOQSA-N 481.621 5.300 50 10 JKGE Cl[C@@H](c1cccc(I)c1)c1cc(Br)ccc1Br 109803644 BEBMOBNBVMQPJG-ZDUSSCGKSA-N 486.372 6.144 50 10 JKGE CCOc1ccc(Br)cc1[C@H](Br)c1sccc1Br 111536554 UASGIMHFLDCMFD-LBPRGKRZSA-N 455.009 6.156 50 10 JKGE Cc1sc(Br)cc1[C@H](Br)c1ccc(Br)cc1Cl 115223382 ZOSAVJGICVBBEZ-GFCCVEGCSA-N 459.428 6.719 50 10 JKGE Clc1ccccc1C(CBr)(CBr)Cc1ccccc1Br 118878015 KRTSHBIPEJUEGG-UHFFFAOYSA-N 481.453 6.373 50 10 JKGE Cc1cc(Br)c([C@H](Br)[C@H]2COc3ccccc32)cc1Br 128787416 VINBBZHZICPWKJ-LRDDRELGSA-N 460.991 6.132 50 10 JKGE CCCN(C(=O)C(Cl)Cl)[C@@H](CC)c1nc2ccccc2c(=O)n1-c1ccc(F)cc1 139611775 FRLOSJNQOUWSNE-SFHVURJKSA-N 450.341 5.018 50 10 JKGE CCOc1ccc([C@@H](Br)Cc2ccc(Cl)c(Cl)c2)cc1Br 228994329 XDKSXOQUBVLCOR-LBPRGKRZSA-N 453.001 6.833 50 10 JKGE CC(C)CCC[C@@H](C)[C@@H]1CC[C@@H]2[C@H]3CC=C4C[C@@H](OC(=O)CCCCl)CC[C@]4(C)[C@@H]3CC[C@]12C 253534576 FWOCLQPBUVEXDS-ZOEJXKMSSA-N 491.200 8.959 50 10 JKGE Cc1csc([C@@H](Br)c2cc(I)cc3c2OCC3)c1Cl 302473420 GKLMRNFJWIIEQX-NSHDSACASA-N 469.569 5.734 50 10 JKGE COc1cc([C@H](Br)c2cc(Br)c(Br)s2)cc(OC)c1C 313061070 UFIZFFNOJYWWKV-ZDUSSCGKSA-N 485.035 6.083 50 10 JKGE Fc1cc(F)c(F)c([C@H](Br)c2csc(I)c2)c1F 395807663 JZXLKLFFROXGKW-SECBINFHSA-N 451.020 5.393 50 10 JKGE CC(C)(C)OC(=O)NCCN1CCCO[C@@H](c2ccc(CCO[Si](C)(C)C(C)(C)C)cc2)C1 616597675 HXJVKRLTFKHOQT-HSZRJFAPSA-N 478.750 5.539 50 10 JKGE CC(C)(C)[Si](C)(C)OCCc1ccccc1[C@@H]1CN(CCO[Si](C)(C)C(C)(C)C)CCO1 616647860 JJJHIGFZCOTDIM-DEOSSOPVSA-N 479.854 6.646 50 10 JKGE CC(C)(C)OC(=O)NCCN1CCOCC[C@@H]1c1ccc(CO[Si](C)(C)C(C)(C)C)cc1 616658435 SXFAKJNVNLALSZ-JOCHJYFZSA-N 464.723 5.497 50 10 JKGE Brc1ccc([C@@H](Br)c2cc(Br)c3c(c2)CCCO3)o1 689530917 ZIEUXYZMWBWLPU-ZDUSSCGKSA-N 450.952 5.614 50 10 JKGE BrCc1cc(Br)cc(Br)c1OCCOCC1CCCC1 693104556 YPYXFPRXIPXYHE-UHFFFAOYSA-N 471.027 5.692 50 10 JKGE BrCc1cc(Br)c(OC[C@H]2CCC3(CCC3)O2)c(Br)c1 712407411 MZRWEZILLVTTEL-LLVKDONJSA-N 469.011 5.587 50 10 JKGE CCOc1cc(CBr)cc(Br)c1OC[C@H](C)COCc1ccccc1 719525454 WWTGPMFIGRRZDN-OAHLLOKOSA-N 472.217 5.974 50 10 JKGE O=C(NN=Cc1ccc(-c2ccc(Br)cc2)o1)c1cccc(I)c1 1083897934 RNQGTNCPGVWQOH-UHFFFAOYSA-N 495.114 5.078 50 10 JKGE COc1cc(C=NNC(=O)c2cc3ccccc3o2)cc(Cl)c1OCc1ccc(C(=O)O)cc1 1084180824 SRSFZBRKBHWRGY-UHFFFAOYSA-N 478.888 5.136 50 10 JKGE Cc1cccc(NC(=O)/C(C#N)=C\c2cn(Cc3ccc(Br)cc3)c3ccccc23)c1C 1084206921 MKVYIZNREGTENI-STZFKDTASA-N 484.397 6.615 50 10 JKGE Cc1cccc(C)c1-n1c(C)cc(C=NNC(=O)c2ccc(CN3CCc4ccccc4C3)cc2)c1C 1084354297 FOXNMOYDUQWIEC-UHFFFAOYSA-N 490.651 6.033 50 10 JKGE Cc1cccc(C)c1-n1c(C)cc(C=NNC(=O)C(=O)Nc2ccc(Cl)c(Cl)c2)c1C 1084462103 VUQXUACOEOKBMV-UHFFFAOYSA-N 457.361 5.107 50 10 JKGE N#C/C(=C/c1ccccc1OCc1ccc(Cl)cc1)C(=O)Nc1ccc(Cl)c(Cl)c1 1084556829 ZZVAJWJVLRIUCQ-BOPFTXTBSA-N 457.744 6.771 50 10 JKGE CCCCCCCCOc1ccc(C=NNC(=O)COc2ccc(C3CCCCC3)cc2)cc1 1084620102 UOGDWXNLRNZGLB-UHFFFAOYSA-N 464.650 7.003 50 10 JKGE Cc1c(Cl)cccc1NC(=O)c1oc2c(c1C)C(=NNC(=O)c1cccc([N+](=O)[O-])c1)CCC2 1772745573 BLGLLJZRUZUWEC-UHFFFAOYSA-N 480.908 5.181 50 10 JKGE CCCc1nn(Cc2cccc(Cl)c2)c2c1[C@H](c1ccc(OCC)c(OCC)c1)C(C#N)=C(N)O2 1865688901 DQSFKWQMFGCACR-XMMPIXPASA-N 493.007 5.553 50 10 JKGE CCn1nc(C)c2c1OC(N)=C(C#N)[C@@H]2c1ccc(OCc2c(Cl)cccc2Cl)c(OC)c1 1865689225 MXMWZQKLRNOSDK-QFIPXVFZSA-N 485.371 5.324 50 10 JKGE C=CCOc1ccccc1[C@H]1C(C#N)=C(N)Oc2c1c(-c1ccccc1)nn2Cc1cccc(F)c1 1865691165 LHIIUGWLEUBJDR-VWLOTQADSA-N 478.527 5.520 50 10 JKGE CCOc1ccc([C@@H]2C(C#N)=C(N)Oc3c2c(-c2ccccc2)nn3Cc2cccc(F)c2)cc1OC 1865695082 JKMAXJAWVCPWGH-RUZDIDTESA-N 496.542 5.363 50 10 JKGE CCCCCOc1ccc([C@@H]2C(C#N)=C(N)Oc3c2c(-c2ccccc2)nn3CC)cc1OC 1865696348 ZKHRTTWREQCUCM-HSZRJFAPSA-N 458.562 5.366 50 10 JKGE Cc1nc(-c2ccc(Cl)c(Cl)c2)ccc1C(=O)NNC(=O)c1ccc(-n2cccc2)cc1 1865758879 ABRHJEGMMMEBBJ-UHFFFAOYSA-N 465.340 5.229 50 10 JKGE CCCC[C@H](NC(=O)Cc1nc(-c2ccccc2Cl)oc1C)C(=O)Nc1ccc(SC#N)cc1 1866664584 VTPYKRAJJVTKFV-NRFANRHFSA-N 497.020 5.733 50 10 JKGE CCCC[C@@H](NC(=O)Cc1ccc(C)c(Br)c1)C(=O)Nc1ccc(SC#N)cc1 1867229958 DSHQZPXIHSUAHJ-HXUWFJFHSA-N 474.424 5.187 50 10 JKGE COc1ccc(-c2csc(/C(C#N)=C(\O)CCCOc3ccc4ccccc4c3)n2)cc1OC 1872745545 RZTMTFDVVXMAGY-GYHWCHFESA-N 472.566 6.632 50 10 JKGE Cc1cccc(C)c1OCCC/C(O)=C(\C#N)c1nc(-c2ccc(Br)cc2)cs1 1872746700 UJEDTPUUZURFNB-VZCXRCSSSA-N 469.404 6.841 50 10 JKGE CCCOc1ccc(-c2csc(/C(C#N)=C(\O)CCCN3C(=O)c4ccccc4C3=O)n2)cc1 1872749201 GUKSNIJSDYIYTM-LNVKXUELSA-N 473.554 5.468 50 10 JKGE N#C/C(=C(/O)C(c1ccccc1)c1ccccc1)c1nc(-c2ccc3c(c2)OCCO3)cs1 1872750403 DJANKQJBIPLTTF-QLYXXIJNSA-N 452.535 6.206 50 10 JKGE COc1cc(C)c(-c2csc(/C(C#N)=C(\O)c3ccc(-n4cccc4)cc3)n2)cc1C(C)C 1872754051 ZYHPJNXHIRUNPG-RWEWTDSWSA-N 455.583 6.991 50 10 JKGE CCCCCCCCCOc1ccc(/C=N/NC(=O)Cn2c(O)nc3ccccc3c2=O)cc1Cl 1873792863 RFFLIRHBSPUTLA-OGLMXYFKSA-N 499.011 5.035 50 10 JKGE CC(C)(C)OC(=O)Nc1ccc2c(c1)CC[C@H]2[C@H](CBr)NC(=O)OC(C)(C)C 1885097030 NNCKHYJOBFCZMP-SJORKVTESA-N 455.393 5.352 50 10 JKGE FC(F)(CBr)[C@H]1CCN(Cc2c(Br)cccc2Br)C1 1892732464 KAOCFRLMALMCIA-VIFPVBQESA-N 461.970 5.064 50 10 JKGE Cl[C@@H](c1cc(Br)ccc1OCc1ccccc1)c1sccc1Br 1899885874 YTNVACFUIQRQKH-KRWDZBQOSA-N 472.629 7.180 50 10 JKGE ClCC[C@@H](COCc1ccccc1)NCc1ccc(Br)cc1Br 1902891872 KZQLJEWTFVDIET-KRWDZBQOSA-N 461.625 5.516 50 10 JKGE Brc1ccccc1[C@H](CI)OCCCOCc1ccccc1 1910509606 MDKWCNPRQBDQAE-SFHVURJKSA-N 475.164 5.549 50 10 JKGE C[C@@H](Cl)c1nc2c(Br)cc(F)cc2n1[C@@]1(C)CCN(Cc2ccccc2)C1 1912678066 PYJWTONHBUWKBX-SZNDQCEHSA-N 450.783 5.859 50 10 JKGE BrCC1(N(Cc2ccccc2)c2nc3cc(Br)ccc3o2)CCC1 1915765958 SAXDYDGXNLSWSX-UHFFFAOYSA-N 450.174 5.915 50 10 JKGE Cc1cc([C@@H](Br)c2c(Br)sc(Br)c2Cl)cc(C)c1F 1923040689 WAJYDTREHOZIFH-SECBINFHSA-N 491.445 7.167 50 10 JKGE Clc1sc(Br)c(Cl)c1[C@H](Br)[C@@H]1CCC[C@H]2CCCC[C@H]21 1925562477 XZEYBBOMMILFMR-DNRKLUKYSA-N 461.090 7.860 50 10 JKGE Cc1cc(Br)sc1[C@@H](Br)c1cccc(F)c1I 1950214611 IMXBHKFFHOCYFM-JTQLQIEISA-N 489.973 6.047 50 10 JKGE Cn1ncc(Br)c1[C@@H](Br)c1ccc(Br)cc1Br 2024279079 JWORHKWAIPNUPU-JTQLQIEISA-N 487.815 5.192 50 10 JKGE Cc1cc([C@H](Cl)c2csc(Br)c2Br)c(C)cc1Br 2032959122 URZWJFWNUNLYSR-LBPRGKRZSA-N 473.455 6.981 50 10 JKGE IC[C@@H]1CCC[C@]2(CN(Cc3ccccc3)C3(CCCCCC3)C2)O1 2038914975 WDCFWGIEGDKKDV-UNMCSNQZSA-N 453.408 5.728 50 10 JKGE COc1c(Cl)cc(Br)cc1[C@H](Cl)c1cc(I)sn1 2082868674 QAOLYOCTRGTMJG-JTQLQIEISA-N 478.964 5.500 50 10 JKGE Cl[C@H](c1ccc(CC2CC2)s1)c1cc(Br)ccc1I 2087644966 AGDJABFKPXVMRJ-HNNXBMFYSA-N 467.597 6.396 50 10 JKGE Cc1cc(F)cc(C)c1[C@H](Br)c1cccc(Br)c1Br 2092328935 QFQNQPGDUPBBLT-OAHLLOKOSA-N 450.971 6.452 50 10 JKGE C[C@H]1Cc2cc([C@@H](Br)c3cscc3OCc3ccccc3)cc(Br)c2O1 2100079315 QACRHKVCGRPRCP-RNODOKPDSA-N 494.248 6.897 50 10 JKGE Fc1c(Cl)cccc1C[C@H](Cl)c1c(Br)sc(Br)c1Cl 2113470996 PKBZNCLQNFAZNR-ZETCQYMHSA-N 467.412 7.242 50 10 JKGE BrCc1cc(Br)cc(Br)c1OC[C@H]1C[C@H]1C1CCC1 2135249836 XRAMUJNRJVBIPG-YPMHNXCESA-N 453.012 5.922 50 10 JKGE Cc1c(Br)ccc([C@@H](Br)c2cccc(F)c2Cl)c1Br 2138854053 RVGVTIQDJHLJFK-CYBMUJFWSA-N 471.389 6.797 50 10 JKGE Cc1c(Br)ccc([C@H](Br)[C@@H]2CC3CCC2CC3)c1Br 2138875630 HQRWKQCWAYUZAX-WMCDKUTBSA-N 451.040 6.782 50 10 JKGE C[C@H]1Cc2cc([C@@H](Cl)c3ccc(I)cc3)cc(Br)c2O1 2146616958 VCYZPFBJMJPSTL-VFZGTOFNSA-N 463.540 5.705 50 10 JKGE BrCc1ccc(Br)cc1N1CCc2cccc(Br)c2C1 2149905190 CJFASLXRZHBPRP-UHFFFAOYSA-N 460.007 5.669 50 10 JKGE C[C@@H](Cl)c1nc2cc(Br)c(Cl)cc2n1C[C@@H]1CCN(Cc2ccccc2)C1 2160079533 CJJYUDMGQCIBTJ-GDBMZVCRSA-N 467.238 6.274 50 10 JKGE CC[C@H]1CN(C(=O)OCc2ccccc2)[C@@H](CC)CN1CCCCCCCCCBr 2162988613 QKWZKZPEBBGZMV-ZEQRLZLVSA-N 481.519 6.624 50 10 JKGE CC(C)(C)OC(=O)NC[C@@H]1CC[S@@](=O)(=NCC2(CBr)CCCCC2)C1(C)C 2163062422 LFYQPRHSPLWGDW-OQRWROFFSA-N 465.498 5.123 50 10 JKGE Cc1cc(Br)c([C@@H](Br)[C@H]2CCCCCC2(F)F)cc1Br 2164922376 BHWDIZYBMFDZEE-BXUZGUMPSA-N 475.009 7.172 50 10 JKGE Clc1sc(Br)c(Cl)c1[C@H](Br)[C@H]1CC2(CCCCC2)CO1 2166266613 MRCQFOKMMFPXJO-PSASIEDQSA-N 463.062 6.993 50 10 JKGE Brc1ccc(Br)c([C@H](Br)[C@H]2CC3(CCCCC3)CO2)c1 2166285977 MHKXDMHPKXNBJP-CABCVRRESA-N 467.039 6.387 50 10 JKGE Brc1c2c(c([C@H](Br)C3(Br)CCC3)c3c1CCC3)CCC2 2193148413 CITMYYMIDSLWPI-INIZCTEOSA-N 463.051 6.180 50 10 JKGE CCOc1cc(Br)c([C@@H](Br)[C@H]2C[C@H](Br)C2)cc1OCC 2196882026 YDVLYFCHVQHPQH-YHAQOWFVSA-N 471.027 5.856 50 10 JKGE Cc1cc(Br)c(C)c([C@H](Br)C[C@@H]2CCCC2(F)F)c1Br 2201065723 SXVDHHQYRQVZHL-CMPLNLGQSA-N 475.009 7.090 50 10 JKGE COc1ccc(C)cc1[C@H](Br)c1ccc(Br)c(C)c1Br 2203685241 JQKAWSSPVXHOFM-MRXNPFEDSA-N 463.007 6.321 50 10 JKGE Cc1cc([C@@H](Br)c2cc(Cl)cc3c2OCC3)ccc1I 2207105061 TVHIQDIHWORIKD-OAHLLOKOSA-N 463.540 5.672 50 10 JKGE COc1cc(F)c(Cl)cc1[C@H](Br)c1c(Br)cccc1Br 2207358465 XIELCVKQBRXYOS-AWEZNQCLSA-N 487.388 6.497 50 10 JKGE Cc1ccc([C@@H](Cl)c2sc(Br)c(C)c2C)cc1I 2218781865 PJXPYAFCBPMXRP-GFCCVEGCSA-N 455.586 6.369 50 10 JKGE Cc1ccc([C@@H](Br)c2c(Br)cc(C)c(Br)c2C)s1 2220152083 SBJSZJYCTIOKCG-CQSZACIVSA-N 453.037 6.683 50 10 JKGE FC(F)(F)[C@@H]1C[C@@H]1[C@@H](Br)c1c(Br)cc(Cl)c(Cl)c1Cl 2224322771 QFOKASRIWKLRIT-JJXKXHSHSA-N 461.330 7.044 50 10 JKGE Fc1cc(Br)c(Br)cc1[C@H](Br)C12CCC(CC1)CC2 2225617852 RYXNFMOFPGOQMW-WOFGGDGOSA-N 455.003 6.757 50 10 JKGE Cc1cc(Br)c([C@H](Cl)c2cn(C)nc2Br)c(C)c1Br 2227350608 IIFUAPYUKBVBGI-GFCCVEGCSA-N 471.418 5.653 50 10 JKGE Fc1cccc([C@@H](Cl)Cc2ccc(Br)cc2Cl)c1I 2229142848 DPMYNPFXEQJRFX-LBPRGKRZSA-N 473.938 6.369 50 10 JKGE Cc1cc(Br)c(C)c([C@H](Br)C2CC(C(F)F)C2)c1Br 2232341326 CSDMQXYJMMQKKD-KJHLLKJSSA-N 460.982 6.556 50 10 JKGE CCOCc1cc(Br)c([C@@H](Br)c2nn(C)c(Cl)c2Cl)s1 2233035356 KPYMMPBEBXEELK-QMMMGPOBSA-N 463.022 5.572 50 10 JKGE Cc1c(Br)csc1[C@H](Br)c1cc(Br)cc2c1OCCC2 2234512658 JQYHEMVMILBYKN-CYBMUJFWSA-N 481.047 6.391 50 10 JKGE Cc1cc(Br)c([C@@H](Br)C(F)(F)[C@H]2CCOC2)c(C)c1Br 2235610948 ULKXZQFMDDZFJF-TVQRCGJNSA-N 476.981 5.936 50 10 JKGE Fc1ccc(I)cc1[C@H](Cl)c1c(F)cc(F)c(Br)c1F 2236108670 HNLMAJORSXJIJD-LBPRGKRZSA-N 479.436 5.938 50 10 JKGE Cc1nsc(Br)c1[C@@H](Br)c1sc(C)c(C)c1Br 2246390780 MDOKQTRPJADWQH-SECBINFHSA-N 460.054 6.139 50 10 JKGE Fc1cc([C@@H](Br)c2sccc2Br)c(Cl)cc1Br 2247998851 LUVKQTOWSVGAFS-SNVBAGLBSA-N 463.391 6.550 50 10 JKGE CCCCc1ccc([C@@H](Br)c2csc(Br)c2Br)s1 2253418334 LPUSBKHSIUTUSQ-NSHDSACASA-N 473.093 7.162 50 10 JKGE Brc1csc([C@@H](Br)c2ccc(C3CCC3)s2)c1Br 2259363200 NOSTXCJXTQGBGG-LBPRGKRZSA-N 471.077 7.086 50 10 JKGE Fc1cc(C[C@@H](Br)c2sc(Br)cc2Br)ccc1Cl 2263456224 JKEMYISBBGTPJY-SSDOTTSWSA-N 477.418 6.744 50 10 JKGE COc1ccc([C@H](Cl)c2ccc(OCc3ccccc3)cc2)c(Br)c1Cl 2268264160 PNMWSLIODQDVSJ-HXUWFJFHSA-N 452.175 7.018 50 10 JKGE Fc1cc(Br)c(F)c(Br)c1[C@H](Br)[C@@H]1CCC2(CC2)C1 2272721591 JXIGQQYGOZEUQR-RDDDGLTNSA-N 458.966 6.506 50 10 JKGE CC1(C)OCCC[C@@H]1[C@H](Br)c1c(F)cc(Br)c(F)c1Br 2288364588 SWOGWYDVBMZKHC-HQJQHLMTSA-N 476.981 6.131 50 10 JKGE C=CCOc1ccccc1C=C(C#N)C(=O)Nc1ncc(Cc2ccc(Br)cc2)s1 2293031392 LMCLPZBQAZAUAR-UHFFFAOYSA-N 480.387 5.607 50 10 JKGE Cc1ccc(NC(=O)C(C#N)=C2S[C@H](Cc3ccccc3)C(=O)N2c2ccc(Cl)cc2)cc1 2293038981 QBOUUKUTLYJESZ-HSZRJFAPSA-N 473.985 5.713 50 10 JKGE C=C1CC[C@H](O[Si](C)(C)C(C)(C)C)CC1=CC=C1CCC[C@@]2(C)[C@@H]1CC[C@@H]2[C@H](C)CCCC(C)C 2293797728 DWIUSINKAVTSCC-HABXVTJLSA-N 498.912 10.649 50 10 JKGE Cc1cc(Br)c(NC(=O)C(C#N)=Cc2c[nH]c3ccccc23)c(Br)c1 2294510875 VYWRDHHFWOQUSW-UHFFFAOYSA-N 459.141 5.547 50 10 JKGE Cc1cc([C@H](Cl)Cc2cc(Br)cc(Br)c2)c(C)cc1Br 2295265590 STJBANAXEKRWPE-MRXNPFEDSA-N 481.453 7.114 50 10 JKGE COc1c(Br)cc(Cl)cc1[C@H](Cl)c1ccc(C)c(I)c1 2295278153 YZYUFUWCWCOWKJ-CQSZACIVSA-N 485.974 6.352 50 10 JKGE CC(F)(F)c1ncc([C@@H](Br)Cc2cc(Br)cc(Br)c2)s1 2295333156 GUFPRKBMDXZUIL-JTQLQIEISA-N 490.005 6.459 50 10 JKGE Cc1cccc(C)c1NC(SCc1ccc(Cl)cc1)=C(C#N)S(=O)(=O)c1ccccc1 2297349934 DHXBETWEIZWERP-UHFFFAOYSA-N 469.031 6.469 50 10 JKGE Cc1cc([N+](=O)[O-])ccc1NC(=O)C(C#N)=Cc1ccc(OC(=O)c2ccc(Cl)cc2)cc1 2297551484 NFHAIEORISOMQM-UHFFFAOYSA-N 461.861 5.322 50 10 JKGE Cn1nc([C@@H](Cl)c2cc(Br)ccc2OCc2ccccc2)cc1Br 2299525428 NQTPXMQYADEUML-SFHVURJKSA-N 470.592 5.852 50 10 JKGE C[C@]1([C@H](Br)c2c(Cl)cc(Br)c(F)c2Br)C[C@H]1F 2300163154 LFEXENBAJWXBDN-PFZYVWIYSA-N 453.346 6.188 50 10 JKGE CCC(F)(F)[C@H](Br)c1c(Cl)cc(Br)c(F)c1Br 2300167279 XCIPUQWBBHQPTK-SECBINFHSA-N 459.325 6.485 50 10 JKGE C[C@@H](CCCCCI)NCc1sc(Cl)cc1Br 2304891767 DWQTTXILAZJTHD-VIFPVBQESA-N 450.611 5.638 50 10 JKGE Brc1cc([C@@H](Br)[C@@H]2C[C@H]2C2CCOCC2)sc1Br 2311503341 QIURCRLRBIBINS-SBMIAAHKSA-N 459.041 5.772 50 10 JKGE COc1cc(C=C(C#N)C(=O)Nc2ccc(C)cc2)cc(Cl)c1OCc1ccccc1F 2313567815 LMDFDYJUEBWSLE-UHFFFAOYSA-N 450.897 5.921 50 10 JKGE C#CCOc1cc(Br)c(C=C(C#N)C(=O)Nc2cccc(Cl)c2Cl)cc1OCC 2313571072 MPVTWAXQKUKSSM-UHFFFAOYSA-N 494.172 5.712 50 10 JKGE CCOc1cc(C=C(C#N)C(=O)Nc2ccccc2C)ccc1OCc1ccc(Br)cc1 2313667203 HJFOWPLPSIYHCU-UHFFFAOYSA-N 491.385 6.281 50 10 JKGE Brc1cc(OCc2ccccc2)ccc1[C@@H](Br)C[C@@H]1CCCOCC1 2314455568 PRRYXYZCUYUMDR-UZLBHIALSA-N 468.229 6.671 50 10 JKGE COc1ccc(N2C(=O)[C@@H](Cc3cccc(Cl)c3)SC2=C(C#N)C(=O)Nc2ccccc2)cc1 2314591628 AAYIOCNBUFOYSC-HSZRJFAPSA-N 489.984 5.414 50 10 JKGE Cc1ccc(N2C(=O)[C@H](Cc3ccccc3C)SC2=C(C#N)C(=O)NCc2ccccc2)cc1C 2314593503 OCNSEYQSHVVRJE-SANMLTNESA-N 481.621 5.355 50 10 JKGE CCCN1C(=O)C(=Cc2ccc(OCc3ccc(Cl)cc3Cl)c(OCC)c2)C(C)=C(C#N)C1=O 2314611512 WCMNQSLHQFBBAJ-UHFFFAOYSA-N 499.394 5.973 50 10 JKGE CC1=C(C#N)C(=O)N(C[C@H]2CCCO2)C(=O)C1=Cc1ccc(-c2cccc(Cl)c2Cl)o1 2314619034 YPCIBDARUDPALK-OAHLLOKOSA-N 457.313 5.025 50 10 JKGE CCOC(=O)C(C#N)=Cc1cccc(OC(=O)COc2ccc(C(C)C)cc2Br)c1 2314770737 WPMXYCHYMMEJIW-UHFFFAOYSA-N 472.335 5.027 50 10 JKGE CCC1CC([C@@H](Br)c2c(Cl)cc(Br)c(F)c2Br)C1 2315441161 CYSIKBGAAWDFBL-UAAUVXIDSA-N 463.410 6.876 50 10 JKGE Clc1cc(I)c([C@H](Br)[C@@H]2C[C@H]2C2CCOCC2)s1 2316596787 JFTNKLYKADFOOM-YGOYTEALSA-N 461.590 5.505 50 10 JKGE COc1c(Br)cc(C)c([C@H](Br)c2cccs2)c1Br 2317399517 JGGUZUDYUMKDGZ-LLVKDONJSA-N 455.009 6.074 50 10 JKGE CC1(C)C[C@H](Br)C[C@@H](Cc2ccc(I)c(Br)c2)C1 2325171852 AJHYXSQTNQEREX-VXGBXAGGSA-N 486.029 6.186 50 10 JKGE N#CC(=CN(Cc1ccccc1)Cc1ccccc1)C(=O)NC1CCCCCCCCCCC1 2325480018 HXBIINJPWSJBMB-UHFFFAOYSA-N 457.662 6.886 50 10 JKGE CC[C@H](C)[C@H](NC(=O)OC(C)(C)C)C(=O)NN=Cc1cccc(OCc2ccccc2Cl)c1 2328796378 KGNSNQSEEVLKBU-JTSKRJEESA-N 474.001 5.309 50 10 JKGE C[C@@H](CCNC(=O)C(C#N)=Cc1ccc(Br)cc1)c1cccc(-c2ccc(O)cc2)c1 2329659756 VXZGXCJTDOSYIA-SFHVURJKSA-N 475.386 6.039 50 10 JKGE CCc1cccc(C)c1N1C[C@H](C(O)=C(C#N)c2nc(-c3ccc(OC)c(C)c3)cs2)CC1=O 2331259365 VEAQDODJKCEOJQ-HXUWFJFHSA-N 473.598 5.844 50 10 JKGE COc1ccc(OCCCC(O)=C(C#N)c2nc(-c3ccc(Br)cc3)cs2)cc1 2331260384 AJGRMRFTCCLBEN-UHFFFAOYSA-N 471.376 6.233 50 10 JKGE CCCOc1ccc(-c2csc(C(C#N)=C(O)[C@@H]3CC(=O)N(c4c(C)cccc4CC)C3)n2)cc1 2331318505 SEPVYFJVFRSDHW-OAQYLSRUSA-N 487.625 6.316 50 10 JKGE CC(C)Oc1ccc(C=C(C(O)=C(C#N)c2nc(-c3ccc(F)cc3)cs2)c2ccccc2)cc1 2331343748 PJCQBAVGGHLRNN-UHFFFAOYSA-N 482.580 7.770 50 10 JKGE Cc1cc(OCCCC(O)=C(C#N)c2nc(-c3c[nH]c4ccccc34)cs2)cc(C)c1Cl 2331348883 XWAMEAWLHMCKLO-UHFFFAOYSA-N 463.990 7.214 50 10 JKGE CCCCOc1ccc(C=C(C#N)c2nc(-c3cccc(Br)c3)cs2)cc1OC 2331432177 YUVHJDCEGUKEPX-UHFFFAOYSA-N 469.404 6.824 50 10 JKGE N#CC(=Cc1ccccc1OCc1ccc(Cl)cc1)c1nc(-c2ccc(Cl)cc2)cs1 2331439902 CICPCJWSCDVYNZ-UHFFFAOYSA-N 463.389 7.760 50 10 JKGE N#CC(=Cc1ccc(OCc2ccccc2Cl)cc1)c1nc(-c2ccc(Cl)cc2)cs1 2331439990 NEEIVUUKEIULJC-UHFFFAOYSA-N 463.389 7.760 50 10 JKGE CCCCOc1ccc(C=C(C#N)c2nc(-c3ccc(OC)c4ccccc34)cs2)cc1OCC 2331489312 RFRNKSJFOQYAGA-UHFFFAOYSA-N 484.621 7.614 50 10 JKGE Cn1nc(Br)c([C@@H](Br)c2c(F)cc(Cl)c(Br)c2Cl)n1 2335301861 KUPQGQAUDIZVJO-ZETCQYMHSA-N 496.787 5.270 50 10 JKGE CC1(C)CCC[C@@H]([C@@H](Br)c2ccc(OCc3ccccc3)cc2Br)CC1 2336037602 FOGGNDABYAEIET-XMSQKQJNSA-N 480.284 8.071 50 10 JKGE Brc1ccc(OCc2ccccc2)c([C@H](Br)[C@@H]2CCn3nccc3C2)c1 2336056813 LYTBKZCBCIRHIO-IIBYNOLFSA-N 476.212 5.923 50 10 JKGE COc1ccc(C[C@@H](Br)c2cc(Br)c(C)s2)c(Br)c1 2338884892 KFKKCYXOSFIBSU-CYBMUJFWSA-N 469.036 6.269 50 10 JKGE C[C@H](CCCCCBr)NC(=O)c1ccc(Cl)cc1I 2340053669 DANAVFOPIOHHQC-SNVBAGLBSA-N 458.565 5.018 50 10 JKGE Cc1scc([C@H](Br)c2c(Br)cc(F)c(F)c2F)c1Br 2343554219 NPMDICNWNKHYPE-JTQLQIEISA-N 478.953 6.483 50 10 JKGE FC1(F)CCC2(CC1)C[C@H]2[C@@H](Cl)c1cc(Br)ccc1OCc1ccccc1 2361202394 ATYPLEPGZRJDSS-ICSRJNTNSA-N 455.770 7.524 50 10 JKGE Fc1c(Br)cc(Cl)c([C@H](Br)[C@@H]2C[C@H]3CCCC[C@@H]32)c1Br 2362227017 ZFOOVFMRRUKARU-LOKDSWTASA-N 489.448 7.266 50 10 JKGE Cc1cc(Br)c(F)c(Br)c1[C@H](Br)C1CC2(CCOC2)C1 2365177737 CSNIXZLEQWNKPL-YAKODHLKSA-N 471.002 5.912 50 10 JKGE CC(C)(C)OC(=O)N1CCN(C[C@@](C)(CBr)C(C)(C)C)C[C@@H]1CC(F)(F)F 2380179588 JDUQXOXASPQUJI-KBXCAEBGSA-N 459.391 5.307 50 10 JKGE FC(F)(F)[C@]1(CBr)CCN(Cc2cc(I)ccc2Cl)C1 2380510148 ZIBZKVBPWYRTNI-LBPRGKRZSA-N 482.509 5.094 50 10 JKGE CC(C)(C)c1ccc(C(=O)Nc2ccc(C(=O)NNC(=O)c3ccccc3Br)cc2)cc1 12491980 BPQWQIFLIYGQOV-UHFFFAOYSA-N 494.389 5.074 50 10 JKGE COc1ccc([N+](=O)[O-])cc1NC(=O)/C(C#N)=C\c1ccc(OC(=O)c2cccc3ccccc23)cc1 33653203 MWQLTYXHODJZSB-HKWRFOASSA-N 493.475 5.521 50 10 JKGE CCOc1ccccc1[C@H]1C(C#N)=C(N)Oc2cc(OC(=O)[C@H](C)Oc3ccc(C(C)C)cc3)ccc21 38650561 LLIYSTWWBAJWPG-HMILPKGGSA-N 498.579 5.800 50 10 JKGE CCCOc1ccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4cccc(OCC)c4)ccc32)cc1 38650698 AKNQLHUTKWGPCA-SANMLTNESA-N 470.525 5.311 50 10 JKGE CCCOc1ccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)[C@@H](C)Oc4ccc(CC)cc4)ccc32)cc1 38650714 LYOFSGMTCDUCGN-GDJIYFAZSA-N 498.579 5.629 50 10 JKGE CCc1ccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4cc(Cl)c(OC)c(Cl)c4)ccc32)cc1 38700446 GKJBTYKNRKCOFE-QHCPKHFHSA-N 495.362 6.002 50 10 JKGE CCc1ccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4oc5ccc(CC)cc5c4C)ccc32)cc1 38700452 AWQPSILXGPFDFY-MHZLTWQESA-N 478.548 6.303 50 10 JKGE Cc1c(C(=O)NCCc2ccccc2)oc2c1/C(=N/NC(=O)c1cccc3ccccc13)CCC2 40813576 SIZWVDHDOMPCJK-QFMPWRQOSA-N 465.553 5.184 50 10 JKGE COc1ccc(CCC(=O)Oc2ccc(/C=C(\C#N)c3ccc(Cl)cc3)cc2OC)cc1OC 40994996 FMICMWPISSTQOX-KGENOOAVSA-N 477.944 5.968 50 10 JKGE COc1cccc(/C=C(/C#N)C(=O)Nc2ccccc2)c1OCc1ccc(Cl)cc1Cl 59116749 QAAPAYNICTVJDG-PDGQHHTCSA-N 453.325 6.127 50 10 JKGE CCOc1cc(/C=N/NC(=O)c2ccc(-n3c(C)ccc3-c3ccccc3)cc2)cc(Cl)c1OC 59305110 PQZIEXOINDAOSF-UXHLAJHPSA-N 487.987 6.277 50 10 JKGE O=C(N/N=C/c1ccccc1Oc1ccc(C(F)(F)F)cc1[N+](=O)[O-])c1cccc([N+](=O)[O-])c1 59500338 WZPUUHLTIZOMGB-BRJLIKDPSA-N 474.351 5.078 50 10 JKGE CCc1c(C)sc(NC(=O)/C(C#N)=C\c2cn(Cc3ccccc3)c3ccccc23)c1C#N 96504307 YXMZOOUGJGUKIE-MOSHPQCFSA-N 450.567 6.039 50 10 JKGE Fc1cc(Br)c(Cl)cc1[C@H](Br)c1ccc(Br)s1 97896068 HTFVWTHMXOALMG-NSHDSACASA-N 463.391 6.550 50 10 JKGE N#C/C(=C/Nc1ccc(Br)cc1)c1nc(-c2cccc(Br)c2)cs1 100056675 LNAIHBQBLPULIN-RAXLEYEMSA-N 461.182 6.312 50 10 JKGE N#C/C(=C/Nc1cc(C(F)(F)F)cc(C(F)(F)F)c1)S(=O)(=O)Cc1ccc(Cl)cc1 100406114 XLGVGEWLXZCBCH-SXGWCWSVSA-N 468.806 5.769 50 10 JKGE CCOc1ccc(N2C(=O)[C@@H](Cc3ccccc3F)S/C2=C(/C#N)C(=O)Nc2ccccc2)cc1 101244688 FZCVPJZFTGHQGR-OGCOBRASSA-N 487.556 5.289 50 10 JKGE COc1cc(/C=C(/C#N)C(=O)Nc2nc3ccccc3s2)ccc1OCc1ccccc1Cl 102443971 VPTUGXOMMQPZPD-PDGQHHTCSA-N 475.957 6.083 50 10 JKGE O=C(N[C@H]1CCCCC[C@H]1Br)c1cc(Br)c(Br)s1 136177921 BVOZSSJTXOHVQZ-APPZFPTMSA-N 460.029 5.099 50 10 JKGE COc1ccc(CC(CBr)(CBr)C2CCCC2)cc1Br 160151430 NXLVFLKPDSTTAF-UHFFFAOYSA-N 469.055 5.967 50 10 JKGE CCOC(=O)c1ccsc1NC(=O)/C(C#N)=C/c1ccc(OC(=O)Nc2ccccc2)c(OC)c1 207166080 FTAPQLKZRATEMF-GHRIWEEISA-N 491.525 5.090 50 10 JKGE Cc1cccc(C(C)C)c1N/C=C(/C#N)C(=O)N1CCN(C(c2ccccc2)c2ccccc2)CC1 216486699 AXDSPDIVRMEMKN-QYQHSDTDSA-N 478.640 5.872 50 10 JKGE COc1ccc([C@@H](Br)c2cc(Br)sc2Br)cc1C 234972387 DUHASSOJPQWGCP-GFCCVEGCSA-N 455.009 6.074 50 10 JKGE Cc1ccc(-c2nnc(SCC(=O)NN=Cc3ccccc3F)n2C2CCCCC2)cc1 254711345 MTYQXFYTPSDYEX-UHFFFAOYSA-N 451.571 5.140 50 10 JKGE BrCc1ccc(N2CC[C@H]3CC[C@@H](C2)N3Cc2ccccc2)c(Br)c1 399834238 KPHGSMXQQLSULR-MOPGFXCFSA-N 464.245 5.587 50 10 JKGE Clc1ccc([C@H](Br)c2cc(Cl)c(Cl)c(Cl)c2Cl)cc1Cl 404673121 ZPTCFWAKVYZNPW-JTQLQIEISA-N 453.805 8.091 50 10 JKGE CC(C)(C)[Si](C)(C)OCCc1ccc([C@@H]2CN(CCO[Si](C)(C)C(C)(C)C)CCO2)cc1 616649228 WXKJFYVIWJDNRR-DEOSSOPVSA-N 479.854 6.646 50 10 JKGE CC[C@@H](CC(F)F)CC(CBr)(CBr)c1cccc(Br)c1 687835618 RIJIAXYBOMCJKK-NSHDSACASA-N 477.025 6.548 50 10 JKGE Cc1cc(Br)ccc1[C@@H](Br)c1ccc(F)c(Br)c1F 691630193 OBWGGGYECLUTJV-GFCCVEGCSA-N 454.934 6.283 50 10 JKGE Brc1ccoc1[C@@H](Br)c1cc(Br)c2c(c1)CCCO2 699946857 QUVIZGHHLOURKG-LBPRGKRZSA-N 450.952 5.614 50 10 JKGE Cl[C@H](c1scc(Br)c1Br)c1ccc(Br)c2ccccc12 705467969 YGFLFXGMUALPMY-AWEZNQCLSA-N 495.461 7.517 50 10 JKGE CCOc1ccc(NC(=O)NN=Cc2cc(C)n(-c3ccc(C(=O)O)c(Cl)c3)c2C)cc1 1084021470 GZHFKJJBNLMTSO-UHFFFAOYSA-N 454.914 5.000 50 10 JKGE Cc1ccc(-c2ccccc2)n1-c1ccc(C(=O)NN=Cc2ccc(Br)cc2)cc1 1084212806 JOGGFUSWNWCKCT-UHFFFAOYSA-N 458.359 5.979 50 10 JKGE C=CCc1cc(C=NNC(=O)CC[C@@H](O)c2ccc(OCC)cc2)ccc1OCc1ccccc1F 1084333722 PUZFBMGEFKPHJM-HHHXNRCGSA-N 490.575 5.496 50 10 JKGE CCOc1cc([C@H]2C(C#N)=C(N)Oc3c2c(-c2ccccc2)nn3-c2cccc(Cl)c2)ccc1O 1865681545 QFOCJCLORAVLSH-QHCPKHFHSA-N 484.943 5.515 50 10 JKGE COc1ccc(-c2nn(Cc3cc(C)ccc3C)c3c2[C@@H](c2ccc(Cl)cc2)C(C#N)=C(N)O3)cc1 1865683067 FGYJYCQPRCOBKW-VWLOTQADSA-N 496.998 6.095 50 10 JKGE COc1ccc(OC)c([C@@H]2C(C#N)=C(N)Oc3c2c(-c2ccccc2)nn3Cc2cccc(Cl)c2)c1 1865691867 CTLOAUSSJVQWNR-XMMPIXPASA-N 498.970 5.487 50 10 JKGE CCCCOc1c(Br)cc([C@@H]2C(C#N)=C(N)Oc3c2c(CCC)nn3CC)cc1OC 1865693118 RTFBRRSSJDMICB-LJQANCHMSA-N 489.414 5.024 50 10 JKGE COc1ccc([C@@H](CC(=O)N[C@@H](C)C(=O)Nc2ccc(SC#N)cc2)c2ccccc2)cc1Cl 1867129382 MVMRXJUUFWMLII-JTSKRJEESA-N 494.016 5.587 50 10 JKGE CCc1nc(Nc2ccc(SC#N)cc2)cc(N2CC(C)(C)c3ccccc3[C@@H]2c2ccccc2)n1 1868277864 KVBFDYRDZHUTEV-LJAQVGFWSA-N 491.664 7.243 50 10 JKGE N#C/C(=C(/O)Cc1cc(Cl)ccc1Cl)c1nc(-c2ccc(Cl)cc2Cl)cs1 1872744945 QAPLWCULVRNRMG-JXAWBTAJSA-N 456.181 7.459 50 10 JKGE Cc1ccc(C)c(-c2csc(/C(C#N)=C(\O)[C@H](CC(C)C)N3C(=O)c4ccccc4C3=O)n2)c1 1872750153 ZDNBGDYFQYEFSD-HHUUSFLGSA-N 471.582 5.931 50 10 JKGE N#C/C(=C(/O)c1ccc(-c2ccccc2)cc1)c1nc(-c2ccc(Oc3ccccc3)cc2)cs1 1872753583 DQIQVWNPVUUPRC-OHYPFYFLSA-N 472.569 8.219 50 10 JKGE COc1c(C)cc(C)cc1-c1csc(/C(C#N)=C(\O)c2c(Cl)ccc(Cl)c2Cl)n1 1872755136 ZVFCUGRPIJOIQX-UYRXBGFRSA-N 465.789 7.346 50 10 JKGE COc1ccc(/C=C(C(/O)=C(\C#N)c2nc(-c3ccc(C)c(C)c3)cs2)\c2ccccc2)cc1 1872756693 VYMPIDWQMFBBGB-KUEQOBMBSA-N 464.590 7.469 50 10 JKGE CCOc1ccc(-c2csc(/C(C#N)=C/c3cc(Br)c(OC(C)C)c(OC)c3)n2)cc1 1872790522 OLEUCUBGFJTKFJ-VCHYOVAHSA-N 499.430 6.831 50 10 JKGE COc1ccc(-c2csc(/C(C#N)=C/c3ccc(OCc4ccc(Cl)cc4)cc3)n2)cc1Cl 1872794635 NLNMRPAQDOZJHM-UDWIEESQSA-N 493.415 7.769 50 10 JKGE CCCOc1ccc(-c2csc(/C(C#N)=C(\O)CCCOc3ccccc3)n2)cc1OCCC 1872818379 ZIGMMZWUWLXXFF-GYHWCHFESA-N 478.614 7.040 50 10 JKGE C[C@@H](c1ccccc1)N1C[C@@H](/C(O)=C(\C#N)c2nc(-c3cccc([N+](=O)[O-])c3)cs2)CC1=O 1873941109 WSDNGXLMYUEDNL-TURIDRHPSA-N 460.515 5.121 50 10 JKGE C[C@@H](Cl)CN(Cc1ccccc1)Cc1ccc(I)c(Br)c1 1893240878 ADOHLFWQOKLPNT-CYBMUJFWSA-N 478.599 5.683 50 10 JKGE Cc1cc([C@@H](Br)c2cc(Br)sc2Br)oc1Br 1917588766 VJDAIGQATJBWFD-QMMMGPOBSA-N 493.840 6.421 50 10 JKGE COc1cc([C@H](Br)c2c(Br)sc(Br)c2Cl)ccc1C 1923067249 ABIBRUQINFSNHE-JTQLQIEISA-N 489.454 6.728 50 10 JKGE Clc1sc(Br)c(Cl)c1[C@H](Cl)Cc1ccccc1I 1925562087 UWTWGXNVFDQSMT-SSDOTTSWSA-N 496.422 6.945 50 10 JKGE C[C@@H]1COc2ccc([C@H](Br)c3ccc(Br)cc3Br)cc21 1925758709 YEMVWOKMEBGZAX-ABKXIKBNSA-N 460.991 6.192 50 10 JKGE CCc1cc(Br)c([C@@H](Cl)c2scc(Br)c2Br)s1 1942097006 FOGLULWWOMIHDI-SECBINFHSA-N 479.484 6.988 50 10 JKGE Cl[C@H](CC1CC1)c1c(Br)c(Br)cc(Br)c1Br 1995048161 OPXLQLOKBVHBMZ-MRVPVSSYSA-N 496.262 6.817 50 10 JKGE O=C(C=Cc1c(Br)c(Br)cc(Br)c1Br)CCl 1995049404 ZMBNMIMCYAIKFV-UHFFFAOYSA-N 496.218 5.558 50 10 JKGE FC1(F)C[C@]12C[C@H]2[C@@H](Br)c1c(Br)sc(Br)c1Cl 2004506148 GADDLYLVGRCRFD-MYCDHDFLSA-N 471.386 6.408 50 10 JKGE FC(F)(F)[C@@H]1CCc2c(Br)ccc(Br)c2[C@@H](Br)C1 2029771296 QAHSPQLLBZNBDR-LDWIPMOCSA-N 450.918 6.162 50 10 JKGE COCCOCCN(Cc1ccccc1)c1c(CBr)ccc(Br)c1Cl 2036846730 YJQFHQSZRJEMLT-UHFFFAOYSA-N 491.651 5.667 50 10 JKGE Cc1nc(C[C@H](Cl)c2ccc(Br)cc2I)sc1C 2086150166 XLKQPCUHHAKGKL-NSHDSACASA-N 456.574 5.650 50 10 JKGE O=C(N[C@@H]1CCCC[C@H]1CCBr)c1cc(Br)sc1Br 2090569397 UZCCHFKKANTEEF-WCBMZHEXSA-N 474.056 5.347 50 10 JKGE C[C@H](CCCCCBr)NC(=O)c1cccc(Br)c1Br 2117889462 VRCCHEXNMUWTEX-SNVBAGLBSA-N 456.016 5.285 50 10 JKGE Fc1cc(CBr)ccc1OCc1cc(Br)ccc1Br 2118518822 CWIWCIVPLIDYEL-UHFFFAOYSA-N 452.943 5.825 50 10 JKGE CCC[C@@H]1CC[C@@H](Br)[C@@H](Cc2cc(Br)ccc2Br)C1 2118525815 YDOHNHUSFKMZJI-LALPHHSUSA-N 453.056 6.734 50 10 JKGE FC1(F)[C@@H]2CC(CBr)(Cc3cc(Br)ccc3Br)C[C@H]21 2118526306 DHFPWKSRYSYSCC-GHMZBOCLSA-N 458.966 5.811 50 10 JKGE CCN(C[C@](C)(CI)OC[C@H]1C[C@@H]1c1ccccc1)C(=O)OC(C)(C)C 2135987399 GQPMORXWWIWVJX-OPYAIIAOSA-N 473.395 5.257 50 10 JKGE Brc1ccc([C@@H](Br)c2ccc3sncc3c2)c(Br)c1 2138869877 DMILKFIRQBOKTG-AWEZNQCLSA-N 462.004 6.306 50 10 JKGE Cn1ncc(CC(CBr)(CBr)c2ccccc2Cl)c1Br 2173256971 ABPXQLKDYDSVDT-UHFFFAOYSA-N 485.445 5.106 50 10 JKGE Cc1cc(CBr)cc(S(=O)(=O)N(Cc2ccccc2)[C@H](C)C(C)(C)C)c1C 2179861508 IJRXTYWZUGNVDV-GOSISDBHSA-N 452.458 5.824 50 10 JKGE Fc1cc(Br)cc(OCc2cc(Cl)ccc2Br)c1CBr 2200740303 FHHPJZBALVXQLQ-UHFFFAOYSA-N 487.388 6.478 50 10 JKGE COc1cc(F)c([C@H](Cl)c2cc(Br)cc(Br)c2)cc1Br 2202903080 ZIBCMNUCGIMHEN-CQSZACIVSA-N 487.388 6.450 50 10 JKGE COc1cc(F)c([C@@H](Cl)c2cccc(Br)c2Br)cc1Br 2202903116 ZVVDYJVQFJHESE-AWEZNQCLSA-N 487.388 6.450 50 10 JKGE ClCc1ccc(Br)c(Cl)c1Oc1c(Cl)cc(Br)cc1Cl 2203008496 PSDJPZBRHOXORZ-UHFFFAOYSA-N 479.810 7.703 50 10 JKGE CCn1ncc(Br)c1[C@H](Br)c1cc(Br)cc(Cl)c1OC 2203013629 XNNITTMDRWRHDV-LLVKDONJSA-N 487.417 5.574 50 10 JKGE COc1ccc([C@H](Br)c2ccc(Br)c(C)c2Br)c(F)c1 2203684248 GOUDYZBTWOGHLA-HNNXBMFYSA-N 466.970 6.152 50 10 JKGE COc1c(Br)cc(C)cc1[C@@H](Br)c1cccc(Br)c1Cl 2203830720 VLSPKLDQKIOEMR-ZDUSSCGKSA-N 483.425 6.666 50 10 JKGE Cc1sc(C(=O)N(Cc2ccccc2)[C@H](CBr)C(C)C)cc1Br 2210614225 NQGJXDFYYWSRCP-MRXNPFEDSA-N 459.247 5.881 50 10 JKGE Cc1c(Br)csc1[C@H](Br)c1c(Cl)sc(Br)c1Cl 2213776209 YIWDMHIFCDIRAV-ZCFIWIBFSA-N 499.902 7.434 50 10 JKGE C[C@H](CC(F)(F)F)[C@H](Br)c1cc(Br)c(Br)cc1F 2218605016 CARVXPOUFXSNDI-FWOIEVBISA-N 456.897 6.375 50 10 JKGE Cc1sc(Br)c(C)c1[C@@H](Br)c1nn(C)c(Cl)c1Br 2218797903 IJNPPXSSSAKPDP-SSDOTTSWSA-N 477.447 5.761 50 10 JKGE Fc1cc(F)c([C@H](Br)c2ccc(Br)s2)c(F)c1Br 2220496967 KFNGPICOUMGXLW-SNVBAGLBSA-N 464.926 6.175 50 10 JKGE Cc1cc(Br)c([C@@H](Br)[C@@](C)(F)C(C)(C)F)c(C)c1Br 2227349177 BOUTUDQTKCNADB-TZMCWYRMSA-N 462.998 6.741 50 10 JKGE Cc1cc(Br)c([C@@H](Br)C2(C)CC3(CCC3)C2)cc1Br 2228268389 RSJHGCJEQJXCHD-CQSZACIVSA-N 451.040 6.926 50 10 JKGE Clc1cc([C@@H](Cl)c2c(Br)cc(Cl)c(Cl)c2Cl)ccc1Br 2232509305 CGLFMOCXXBZVAP-LLVKDONJSA-N 498.256 8.153 50 10 JKGE CCC(F)(F)C(C)(C)[C@@H](Br)c1c(Br)cc(Cl)c(Cl)c1Cl 2232516018 FTNVYNUSIUIWPH-NSHDSACASA-N 473.410 7.917 50 10 JKGE Clc1cc(Br)c([C@H](Br)CC23CCC(CC2)C3)c(Cl)c1Cl 2232526001 FUEFPPUOSDAFOU-IXZKOCCXSA-N 461.452 7.816 50 10 JKGE Cc1cc(Br)c([C@@H](Br)CCOCC(F)(F)F)c(C)c1Br 2235604075 MLVZBMWVTFLYRR-VIFPVBQESA-N 482.960 6.233 50 10 JKGE COc1cc(Br)c([C@H](Cl)c2cc(Cl)ccc2I)cc1C 2236010472 NLVGVEVOJRRNSJ-HNNXBMFYSA-N 485.974 6.352 50 10 JKGE Cc1sc([C@H](Cl)c2cc(Br)cc(Br)c2)c(Br)c1C 2253509126 MUKOHICRMMTZIE-GFCCVEGCSA-N 473.455 6.981 50 10 JKGE Cc1cc(Br)c([C@@H](Br)c2sc(C)c(C)c2Br)cc1Cl 2264417925 GCXUMAFDFPYZQU-CYBMUJFWSA-N 487.482 7.336 50 10 JKGE COc1ccc([C@@H](Br)c2csc(Cl)c2OC)cc1I 2269555592 XRQREFLGNCDGEA-LLVKDONJSA-N 473.557 5.508 50 10 JKGE CC(C)c1cc(Br)cc([C@@H](Br)c2c(Cl)sc(Cl)c2Cl)c1 2280677678 UVEHEFAIRASEOH-LLVKDONJSA-N 477.476 8.079 50 10 JKGE COc1cc(F)c([C@@H](Cl)c2ccc(Cl)c(I)c2)cc1Br 2283568372 MWMRABBZMZYETB-AWEZNQCLSA-N 489.937 6.183 50 10 JKGE C[C@@H](c1ccccc1)[C@@H](Br)c1c(F)cc(Br)c(F)c1Br 2288364133 RKCBLPHTFLMWQO-ISVAXAHUSA-N 468.961 6.730 50 10 JKGE Fc1cc(Br)c(F)c(Br)c1[C@H](Br)c1cccc(Cl)c1F 2288494317 FGCOUCLHADODSJ-SNVBAGLBSA-N 493.342 6.767 50 10 JKGE CCC(CC)N(CCBr)C(=O)Cc1cc(Br)cc(Br)c1 2295315832 QNCQJNMRRBYBKI-UHFFFAOYSA-N 470.043 5.166 50 10 JKGE CCOC(=O)c1c(NC=C(C#N)c2nc(-c3cccc([N+](=O)[O-])c3)cs2)sc(C(C)=O)c1C 2296167111 VBOATUFRQVZJFL-UHFFFAOYSA-N 482.543 5.444 50 10 JKGE C[C@@H](NC(=O)C(C#N)=Cc1cn(-c2ccccc2)nc1-c1ccc(Cl)cc1)c1ccccc1 2296701137 YAEOXZNALZZRAW-LJQANCHMSA-N 452.945 5.977 50 10 JKGE COc1cc(C=C(C#N)c2nc(-c3cccc4ccccc34)cs2)cc(OC)c1OC(C)=O 2296763922 FMYNTSUNURULDQ-UHFFFAOYSA-N 456.523 5.970 50 10 JKGE CCOc1ccc(C=C(C#N)C(=O)Nc2ncc(Cc3cc(Cl)ccc3Cl)s2)cc1 2296833262 RHQNVLYLBSJOFO-UHFFFAOYSA-N 458.370 5.985 50 10 JKGE Brc1cc(OCc2ccccc2)ccc1[C@@H](Br)[C@@]12CCOC[C@@H]1C2 2299496572 UVQQCXRAVOYJAN-CWFSZBLJSA-N 452.186 5.891 50 10 JKGE Brc1ccc(OCc2ccccc2)c([C@H](Br)[C@@H]2[C@H]3CCOC[C@H]32)c1 2299501869 RNMSNLQXHRHQLT-ZSXHRAQDSA-N 452.186 5.747 50 10 JKGE CC1(C)CCC[C@@H]1[C@@H](Br)c1cc(Br)ccc1OCc1ccccc1 2299535316 NOFHTOUNUQMPAH-QUCCMNQESA-N 452.230 7.290 50 10 JKGE CN(CCCCCI)Cc1c(Br)cccc1Br 2302118418 HIJWHWCBOJJZAZ-UHFFFAOYSA-N 475.006 5.249 50 10 JKGE COCc1ccc([C@@H](Br)c2sc(Cl)cc2I)s1 2302964136 ZXDDYGLBFGLNKV-SNVBAGLBSA-N 463.587 5.698 50 10 JKGE N#CC(=Cc1cc(Br)ccc1OCc1ccccc1F)C(=O)Nc1ccccc1 2313541189 ZXTYRCLYVAQWBG-UHFFFAOYSA-N 451.295 5.713 50 10 JKGE C[C@@H](c1ccccc1)[C@@H](Br)c1ccc(OCc2ccccc2)cc1Br 2314442175 DXEBKUSGIKSRDP-KSFYIVLOSA-N 460.209 7.268 50 10 JKGE Brc1ccc(OCc2ccccc2)c([C@H](Br)[C@@H]2CCCC3(CC3)C2)c1 2314494682 KKPUBSOZLLKLQL-DYESRHJHSA-N 464.241 7.435 50 10 JKGE CCOc1ccc(N2C(=O)[C@@H](Cc3ccccc3)SC2=C(C#N)C(=O)Nc2cccc(C)c2)cc1 2314592449 UGMAAXXOUPGDDH-RUZDIDTESA-N 483.593 5.459 50 10 JKGE COc1cc(C=C2C(=O)N(Cc3ccccc3)C(=O)C(C#N)=C2C)ccc1OCc1ccccc1 2314611065 PPTOSEBGVFDVIL-UHFFFAOYSA-N 464.521 5.067 50 10 JKGE CC1(C)C[C@@H]([C@H](Br)c2sc(Cl)cc2I)C(C)(C)O1 2316775374 RGTWLSPZOGQXLE-XVKPBYJWSA-N 463.606 6.036 50 10 JKGE CC1(C)CC[C@H](Cc2ccc(I)c(Br)c2)[C@H](Br)C1 2325175128 JPOIVQOZGMUFFM-DGCLKSJQSA-N 486.029 6.186 50 10 JKGE CCOC(=O)c1c(NC(=O)C(C#N)=Cc2ccc(C)cc2)sc(C(=O)Nc2ccccc2)c1C 2329634268 IYFYTKJNFUDJEO-UHFFFAOYSA-N 473.554 5.340 50 10 JKGE COc1cccc(-c2csc(C(C#N)=C(O)C(=Cc3ccc(OC)c(OC)c3)c3ccccc3)n2)c1 2331246640 IKIMYNJOYBBDFX-UHFFFAOYSA-N 496.588 6.869 50 10 JKGE CCc1cccc(C)c1N1C[C@H](C(O)=C(C#N)c2nc(-c3c[nH]c4ccccc34)cs2)CC1=O 2331347062 RDCFJDOAFVYYFZ-GOSISDBHSA-N 468.582 6.008 50 10 JKGE CCOc1ccc(OCC)c(-c2csc(C(C#N)=C(O)c3cccc(Oc4ccccc4)c3)n2)c1 2331376753 QPGOUZQEZUCFKO-UHFFFAOYSA-N 484.577 7.350 50 10 JKGE COc1cc(Cl)c(C)cc1-c1csc(C(C#N)=C(O)c2c(Cl)ccc(Cl)c2OC)n1 2331390293 VQCXLIQKQVIFMQ-UHFFFAOYSA-N 481.788 7.046 50 10 JKGE CCc1cccc(C)c1N1C[C@@H](C(O)=C(C#N)c2nc(-c3cc(Cl)ccc3OC)cs2)CC1=O 2331410803 GTPJKQLXZYPPKH-KRWDZBQOSA-N 494.016 6.189 50 10 JKGE COc1ccc(C[C@H](Cl)c2cc(Br)c(Br)s2)c(Br)c1 2338885530 RPZGFJKLEIUHLV-NSHDSACASA-N 489.454 6.567 50 10 JKGE Cc1cc(Br)c(F)c(Br)c1[C@H](Br)COCC(F)(F)F 2339649706 YBDBJGOUWHKPJC-SSDOTTSWSA-N 472.896 5.674 50 10 JKGE Fc1cccc(F)c1C[C@@H](Br)c1ccc(Cl)cc1I 2340056886 HDWMCUVCMPYPPT-LLVKDONJSA-N 457.483 5.902 50 10 JKGE CC(C)[C@@H]1CC[C@H](Br)[C@@H](Cc2ccc(Cl)cc2I)C1 2341028122 RVBMGTTVUQGILN-KYOSRNDESA-N 455.605 6.323 50 10 JKGE Clc1ccc(CN(CCBr)Cc2cccs2)c(I)c1 2341044413 BHQMEBFVCCDVKX-UHFFFAOYSA-N 470.601 5.403 50 10 JKGE Fc1cccc([C@@H](CBr)Cc2ccc(I)c(Br)c2)c1 2349842997 QYIAYTJLIIMRMO-GFCCVEGCSA-N 497.971 5.914 50 10 JKGE CC1(C)CC[C@@H](Cc2cc(I)ccc2Cl)[C@H](Br)CC1 2352428543 WIAVMYPTVGWNQL-SMDDNHRTSA-N 455.605 6.467 50 10 JKGE Cc1c(Br)ccc([C@@H](Br)[C@@]2(C)CC[C@@H](C)C2(C)C)c1Br 2358115199 UXKZVHAACLKXAP-IGGJQXEISA-N 467.083 7.418 50 10 JKGE FC(F)(F)Oc1ccc(OC[C@H]2CC2(Br)Br)c(CBr)c1 2361042983 DISIKTHXSIYLLP-MRVPVSSYSA-N 482.916 5.365 50 10 JKGE COc1ccc(C[C@@H](Br)c2cc(Br)ccc2OCc2ccccc2)cc1F 2361168353 KURWYUGYFHFXGP-LJQANCHMSA-N 494.198 6.855 50 10 JKGE Fc1c(Br)cc(Cl)c([C@H](Br)CC2CC3(CCC3)C2)c1Br 2362233518 BGIUJZLJSPSFRF-SECBINFHSA-N 489.448 7.411 50 10 JKGE CC[C@H]1CC[C@H]([C@@H](Br)c2c(C)cc(Br)c(F)c2Br)CC1 2365216011 PYNMBJYPYRYQFB-JTNHKYCSSA-N 471.046 7.312 50 10 JKGE FC(F)C1(CBr)CCN(Cc2ccc(Cl)cc2I)CC1 2366716223 VJPYGQRFWIOPHZ-UHFFFAOYSA-N 478.546 5.187 50 10 JKGE Fc1cccc(I)c1[C@@H](Br)CCc1cc(Cl)cc(Cl)c1 2366904832 XMRMWPSWGZJJIN-LBPRGKRZSA-N 487.965 6.806 50 10 JKGE CC(C)(C)[C@@H]1CC[C@@H]1CO[C@@H](CI)c1ccc(Br)cc1 2369178399 PHAIQMXTAMWDTL-BMFZPTHFSA-N 451.186 6.014 50 10 JKGE Brc1ccccc1[C@@H](Br)c1cc2c(cc1Br)OCCC2 2369617194 YSUUWRXKOOHSCZ-MRXNPFEDSA-N 460.991 6.021 50 10 JKGE CC1CCC([C@H](CBr)NCc2c(Br)cccc2Br)CC1 2379754771 HXKZQYFKIKIXOH-PPUFBPAQSA-N 468.071 5.891 50 10 JKGE COc1cc(/C=C(/C#N)C(=O)Nc2ncc(Cc3ccc(Cl)c(Cl)c3)s2)ccc1O 33713851 CDUGWVOJSPFCOL-NSIKDUERSA-N 460.342 5.301 50 10 JKGE Cc1nn(-c2ccc(F)cc2)c(Cl)c1/C=C(/C#N)c1nc(O)c2c3c(sc2n1)C[C@H](C)CC3 33736755 SXQDLEQHMPLDCF-XTCQQWIJSA-N 479.968 5.873 50 10 JKGE N#C/C(C(=O)NCc1ccccc1)=C1\S[C@@H](Cc2ccccc2Cl)C(=O)N1c1ccccc1 33928384 KMJGMIXMDRBGIR-CTHAODRQSA-N 473.985 5.083 50 10 JKGE CC[C@H](C)c1ccc(OCCOc2ccc(/C=C(/C#N)C(=O)Nc3cccc(C)c3)cc2OC)cc1 34793459 MTSQJKIFNRYAMD-VYUMYAIBSA-N 484.596 6.521 50 10 JKGE COc1ccccc1[C@H]1C(C#N)=C(N)Oc2cc(OC(=O)C(c3ccccc3)c3ccccc3)ccc21 38650095 MRXJKOJHNLOHMF-GDLZYMKVSA-N 488.543 5.651 50 10 JKGE C[C@H](Oc1ccc(F)cc1)C(=O)Oc1ccc2c(c1)OC(N)=C(C#N)[C@H]2c1ccccc1Cl 38651047 FBFUMHZMCIFZDF-PSLXWICFSA-N 464.880 5.070 50 10 JKGE CC(C)(C)c1ccc(C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@@H]3c2ccc(Cl)cc2)cc1 38651283 PSTHJTDGRZGYEQ-XMMPIXPASA-N 458.945 6.075 50 10 JKGE CCc1ccc(O[C@@H](C)C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@H]3c2c(F)cccc2Cl)cc1 38680635 PRMYQUXKAMTXPJ-OWJWWREXSA-N 492.934 5.633 50 10 JKGE Cc1cc(C)cc(NC(=O)c2oc3c(c2C)/C(=N/NC(=O)c2ccc(Cl)cc2Cl)CCC3)c1 40813676 KILMJLDMJJFVGH-ZTKZIYFRSA-N 484.383 6.234 50 10 JKGE COc1cccc(C(=O)N/N=C2\CCCc3oc(C(=O)Nc4cccc(Cl)c4C)c(C)c32)c1 40822233 AOHWFXNBQJTGHC-VFCFBJKWSA-N 465.937 5.281 50 10 JKGE C=CCn1c(CNc2ccc(C)cc2)nnc1SCC(=O)N/N=C(\C)C12CC3CC(CC(C3)C1)C2 59261199 WNFDLUAVDICZGH-VUTHCHCSSA-N 492.693 5.185 50 10 JKGE COc1ccc(/C(C)=N/NC(=O)c2cc(Br)ccc2OCc2ccccc2)cc1 96095869 QYXHTMBMQNQTEY-PCLIKHOPSA-N 453.336 5.191 50 10 JKGE CCCCCOc1ccc(Br)cc1/C=C(/C#N)C(=O)Nc1cc(C)ccc1OC 96438851 LENRZMHFEVYRND-AQTBWJFISA-N 457.368 5.881 50 10 JKGE Fc1ccc(Br)cc1C[C@H](CBr)Cc1ccccc1Br 97185900 PTTMQOHOBLPWLC-LLVKDONJSA-N 464.998 6.147 50 10 JKGE CCc1ccc(N2C(=O)[C@@H](Cc3ccccc3C)S/C2=C(/C#N)C(=O)N[C@@H](C)c2ccccc2)cc1 101242811 NCEQSRYKWZKHLE-QHTYFLMPSA-N 495.648 5.861 50 10 JKGE COc1cc(/C=C2/C(=O)N(Cc3ccc(F)cc3)C(=O)C(C#N)=C2C)ccc1OCc1ccccc1 101340609 GESLZAKPFWMPRM-ZVHZXABRSA-N 482.511 5.206 50 10 JKGE CCOc1ccc(Br)cc1[C@@H](Br)c1cc(Br)ccc1Cl 109871573 VLRWIRQLCXXSIM-HNNXBMFYSA-N 483.425 6.748 50 10 JKGE Fc1cc(Br)cc(C[C@H](CBr)Cc2ccc(Br)cc2)c1 125103934 URRIQCCVTUTXIY-CYBMUJFWSA-N 464.998 6.147 50 10 JKGE Clc1cc(Br)ccc1[C@H](Cl)c1cc(Br)c(Br)s1 128092225 GLRBJWNNXUJXPX-JTQLQIEISA-N 479.846 7.017 50 10 JKGE Clc1cc([C@H](Br)c2ccc3cc(Br)ccc3c2)c(Cl)s1 159677347 PPXNRNDUEVKHGR-CQSZACIVSA-N 451.010 7.455 50 10 JKGE C[C@@H]1CCc2[nH]c3ccc(C(=O)N/N=C\c4ccc(OC(=O)c5ccccc5)cc4)cc3c2C1 169891428 IWPJUHYUZGOPLC-LMITWDTESA-N 451.526 5.276 50 10 JKGE CC(C)(C)OC(=O)N1C[C@@H]2C[C@@H]2C[C@H]1CO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C 200324546 TYABDXDGGLKAFS-VJBWXMMDSA-N 465.710 5.209 50 10 JKGE C[C@H](NC(=O)/C(C#N)=C\Nc1cc(C(F)(F)F)cc(C(F)(F)F)c1)C12CC3CC(CC(C3)C1)C2 217050503 OAAPZITUTXCCPL-UORUSPLLSA-N 485.472 6.265 50 10 JKGE CCCCOC(=O)c1ccccc1N/C=C(/C#N)C(=O)NC1CCCCCCCCCCC1 217259715 QSHIJIOUFADIBJ-DQRAZIAOSA-N 453.627 6.252 50 10 JKGE COc1ccc([C@@H](Br)c2ccc(Br)c(Cl)c2)c(OC)c1Cl 224667973 XRDZMENGPUAYLU-ZDUSSCGKSA-N 454.973 6.257 50 10 JKGE COc1ccc(Br)cc1[C@H](Br)c1ccc(F)cc1I 234814713 GNAAOSHVVKQAFA-CQSZACIVSA-N 499.943 5.686 50 10 JKGE CCC(C)(C)c1ccc(OCCCC(=O)NN=Cc2ccc(NC(C)=O)cc2)c(C(C)(C)CC)c1 254420292 QPOHSNCMNZQEKP-UHFFFAOYSA-N 479.665 6.330 50 10 JKGE COc1cc(C=NNC(=O)c2ccc(-n3c(C)ccc3C)cc2)ccc1OC(=O)c1ccccc1 254567856 ZRIHETUCTOBUMS-UHFFFAOYSA-N 467.525 5.086 50 10 JKGE CCCCC[C@H](/C=C/[C@@H]1[C@H](OC(=O)c2ccccc2)C[C@@H]2OC(=O)C[C@@H]21)O[Si](C)(C)C(C)(C)C 256108695 HCFDVFAZKOSMJZ-LQPCQUMGSA-N 486.725 6.691 50 10 JKGE FC(F)(F)c1csc([C@@H](Br)Cc2ccc(Br)cc2)c1Br 380092368 DPEXFNPMEANJHZ-JTQLQIEISA-N 492.980 6.971 50 10 JKGE Cc1cc(Br)cc(CBr)c1OCc1cc(Cl)ccc1Br 383344105 XKWPSLBVSNAUMK-UHFFFAOYSA-N 483.425 6.647 50 10 JKGE FC(F)(F)CCC(CBr)(CBr)c1ccccc1Br 396511718 BOVXHDQPLDWPQZ-UHFFFAOYSA-N 452.934 5.819 50 10 JKGE Cc1cc([C@H](Br)c2cc(Cl)c(Cl)c(Cl)c2Cl)ccc1Br 404659276 POXKEALEKACQNT-NSHDSACASA-N 477.838 7.855 50 10 JKGE CC(C)(C)OC(=O)NCCN1c2ccccc2NC[C@H]1c1ccccc1CO[Si](C)(C)C(C)(C)C 616586761 WXGSVQXEVLMFFM-VWLOTQADSA-N 497.756 6.706 50 10 JKGE C[C@@]12CN(Cc3ccccc3)C[C@H]1CN(c1ccc(Br)cc1CBr)C2 702091402 YUMBCRBQSHTGEL-RXVVDRJESA-N 464.245 5.302 50 10 JKGE FC(F)c1ccc2c(c1)nc(CCl)n2CC1(N(Cc2ccccc2)Cc2ccccc2)COC1 707854185 AZLYCHWMLBPKEC-UHFFFAOYSA-N 481.974 6.184 50 10 JKGE BrCc1ccc(N2CCCc3cccc(Br)c32)cc1Br 713306888 BMWBVJWGLUJANE-UHFFFAOYSA-N 460.007 6.191 50 10 JKGE Brc1cc([C@H](Br)c2ccc3c(c2)COC3)ccc1I 721605370 SJSNZJBFKXYEPX-OAHLLOKOSA-N 493.964 5.568 50 10 JKGE CCCn1c2ccccc2c2cc(/C=C\C3=CC(=C(C#N)C#N)C=C(c4ccccc4)O3)ccc21 1082889335 KIMJJAAUOIUABF-OWBHPGMISA-N 453.545 7.517 50 10 JKGE O=C(CCCSc1nnc(CCc2ccccc2)n1-c1ccccc1)NN=C/C=C\c1ccccc1 1084312150 AWKXDWPRQZRMNG-OPKKRBANSA-N 495.652 5.740 50 10 JKGE Cc1cc(C=NNC(=O)CSCc2cccc(Cl)c2)c(C)n1-c1cc(Cl)cc(Cl)c1 1084521272 UUASNNROLZNOGL-UHFFFAOYSA-N 480.848 6.438 50 10 JKGE Cc1ccc(C(=O)Oc2cccc(/C=C(/C#N)C(=O)Nc3ccc(Cl)c(Cl)c3)c2)cc1 1084625369 UOOYXZSLEOENRA-WQRHYEAKSA-N 451.309 6.067 50 10 JKGE CCCCN1C(=O)C(=NNC(=O)CCCOc2ccc(Cl)cc2Cl)c2cc(C)ccc21 1772720144 GQJWKQYQHRSLAM-UHFFFAOYSA-N 462.377 5.128 50 10 JKGE Cc1c(C(=O)Nc2cccc(Cl)c2Cl)oc2c1C(=NNC(=O)c1ccccc1O)CCC2 1772751898 PMSYARVWTZFGHY-UHFFFAOYSA-N 472.328 5.323 50 10 JKGE O=C(CCCC[C@H]1CCSS1)NC[C@H](Cc1nc2ccccc2[nH]1)c1ccc(Cl)cc1 1860191938 ZVYTZPPSDACWNC-ICSRJNTNSA-N 474.095 6.373 50 10 JKGE N#CC1=C(N)Oc2c(c(C(F)(F)F)nn2-c2cccc3ccccc23)[C@@H]1c1c(F)cccc1Cl 1865685061 DHACXALGIVJDOW-SFHVURJKSA-N 484.840 6.055 50 10 JKGE COc1ccc(-c2nn(Cc3ccccc3F)c3c2[C@H](c2ccccc2Cl)C(C#N)=C(N)O3)cc1 1865685760 MNIPIFIWBHXGRN-HSZRJFAPSA-N 486.934 5.618 50 10 JKGE CCCOc1cccc([C@H]2C(C#N)=C(N)Oc3c2c(-c2ccccc2)nn3-c2cccc3ccccc23)c1 1865692268 AGWKVDKQKRNCSB-NDEPHWFRSA-N 498.586 6.699 50 10 JKGE CCc1nn(CC(C)C)c2c1[C@@H](c1ccc(OCCCc3ccccc3)c(OC)c1)C(C#N)=C(N)O2 1865697365 QNVLINPCAUSMIB-SANMLTNESA-N 486.616 5.340 50 10 JKGE CCN(CC)c1ccc([C@@H]2C(C#N)=C(N)Oc3c2c(C(F)(F)F)nn3Cc2ccc(F)cc2)cc1 1865702639 YAURRPJQVWJERN-HXUWFJFHSA-N 485.485 5.154 50 10 JKGE CCN(Cc1ccccc1)c1ccc([C@H]2C(C#N)=C(N)Oc3c2c(C)nn3-c2ccc(OC)cc2)cc1 1865707135 OTRCECQRBFFYGH-NDEPHWFRSA-N 491.595 5.434 50 10 JKGE COc1ccc(/C=C(\C(=O)NNC(=O)CCCSc2ccc(C)cc2)c2ccccc2)cc1 1865755822 RIUYZMKMUYEXSN-PLRJNAJWSA-N 460.599 5.264 50 10 JKGE N#C/C(=C\c1cccc(Br)c1)C(=O)Nc1ccc(C(=O)OC2CCCCC2)cc1 1866131593 CJPKBQSCXQXWLN-QGOAFFKASA-N 453.336 5.484 50 10 JKGE CN(CCC1(c2ccccc2)CCCCC1)C(=O)/C(C#N)=C/c1cccc(Br)c1 1866366703 PDJUORIETXXWFY-HEHNFIMWSA-N 451.408 6.107 50 10 JKGE CC[C@@H](C)[C@H](/C(O)=C(\C#N)c1nc(-c2cccc(OC)c2)cs1)N1C(=O)c2ccccc2C1=O 1872744269 JXSCWXKQPOZLEA-RTSYSRICSA-N 473.554 5.322 50 10 JKGE CC(C)(C)c1ccc(OCCC/C(O)=C(\C#N)c2nc(-c3ccc4c(c3)CCCC4)cs2)cc1 1872745291 GJOIXZLAQBFGEB-RFBIWTDZSA-N 472.654 7.638 50 10 JKGE N#C/C(=C(/O)c1ccc(N2CCOCC2)c([N+](=O)[O-])c1)c1nc(-c2cccc3ccccc23)cs1 1872752154 PFCAWLLGXHXYMQ-DAFNUICNSA-N 484.537 5.658 50 10 JKGE COc1c(C)cc(Cl)cc1-c1csc(/C(C#N)=C(\O)c2ccc(-c3ccccc3)cc2)n1 1872757113 RAASACNIFZUDEA-GYHWCHFESA-N 458.970 7.397 50 10 JKGE COc1ccc(Cl)cc1-c1csc(/C(C#N)=C(\O)[C@@H](C(C)C)N2C(=O)c3ccccc3C2=O)n1 1872758949 YDOAGURSTIOHOI-QUPCICMCSA-N 493.972 5.586 50 10 JKGE COc1c(Cl)cc(-c2csc(/C(C#N)=C/c3ccc(Br)cc3)n2)cc1Cl 1872794757 VFKRWPVQTXBFEF-AWNIVKPZSA-N 466.187 6.952 50 10 JKGE CC(C)(C)OC(=O)N1CCC[C@H]1C(=O)N/N=C/c1c(OCc2ccccc2)ccc2ccccc12 1873794840 CPZKMCZZKOUMEV-BULNNFJJSA-N 473.573 5.268 50 10 JKGE CCOc1ccc(Br)cc1[C@H](Br)c1c(C)nsc1Br 1912974553 IUVMWGHGOBYMSV-LBPRGKRZSA-N 470.024 5.860 50 10 JKGE O=C(c1ccc(Br)c(C(F)(F)F)c1)N(Cc1ccccc1)[C@@H](CCl)C1CC1 1915177461 VHGYTMRXSXTZFR-SFHVURJKSA-N 460.721 6.128 50 10 JKGE COCC1([C@@H](Br)c2sc(Br)cc2Br)CCCCC1 1922893847 HXPHMNGOYNTSDP-LBPRGKRZSA-N 461.057 6.306 50 10 JKGE Cc1c(Br)sc([C@@H](Br)[C@@H]2CC[C@H]3C[C@H]3CC2)c1Br 1922929956 NPGHABMNPQTGIL-WYFGTUCQSA-N 457.069 6.844 50 10 JKGE Cc1cc([C@H](Cl)c2c(Br)sc(Br)c2Cl)sc1Br 1923055464 UCYYPTWVUIYFRH-LURJTMIESA-N 499.902 7.387 50 10 JKGE FC1(F)[C@H]([C@@H](Br)c2c(Br)sc(Br)c2Cl)C12CC2 1923071389 ISDYTFKBVOGRKI-UJURSFKZSA-N 471.386 6.408 50 10 JKGE C[C@H](c1ccncc1Br)[C@H](Br)c1ccc(Br)c(F)c1 1924037761 BUDUBPMLVANNEX-CLAHSXSESA-N 451.959 5.985 50 10 JKGE Cc1cc(C(=O)N(Cc2ccccc2)[C@@H](CBr)C(C)C)c(Br)s1 1939961812 BHWNYDIWDOLDAH-INIZCTEOSA-N 459.247 5.881 50 10 JKGE Cn1nc([C@@H](Br)c2cc(Br)ccc2Br)cc1Br 1945319801 LJQZSCZYZPIAPS-NSHDSACASA-N 487.815 5.192 50 10 JKGE COCC1([C@@H](Cl)c2c(Br)sc(Br)c2Br)CC1 1975746674 NUNAWIUNDJVQKQ-ZETCQYMHSA-N 453.421 5.742 50 10 JKGE ClCc1c(Cl)nc(Cl)n1-c1ccc(I)c(Br)c1 2006640287 ZGBAWAZAOPJQQB-UHFFFAOYSA-N 466.331 5.285 50 10 JKGE CC(C)c1ccc([C@H](Br)c2csc(Br)c2Br)cc1 2032958290 AABLBJCIJAOLBT-LBPRGKRZSA-N 453.037 6.881 50 10 JKGE CC1([C@H](Cl)c2c(Br)sc(Br)c2Br)CCCCCC1 2052514006 ZUTPXQKAILKKRQ-SNVBAGLBSA-N 479.503 7.676 50 10 JKGE C[C@@H](NCCSSCCNC(=O)OC(C)(C)C)c1ccc(CNC(=O)OC(C)(C)C)cc1 2067352213 IHVKIRGCHGQUQR-QGZVFWFLSA-N 485.716 5.268 50 10 JKGE CCN(C[C@@](C)(CI)OC1CC(CC(C)(C)C)C1)C(=O)OC(C)(C)C 2068027248 JQTQQKFMGHYECT-ALLBUHFWSA-N 467.432 5.669 50 10 JKGE COc1c(Cl)cc(Br)cc1[C@@H](Br)c1cc(Br)sn1 2082859457 RDSIUYLYPFMZJQ-SNVBAGLBSA-N 476.415 5.814 50 10 JKGE Brc1cc([C@@H](Br)[C@H]2C[C@H]3COC[C@H](C3)C2)c(Br)s1 2085754347 QCICODVLIJUDEI-NHRVJRKFSA-N 459.041 5.772 50 10 JKGE C[C@]1(C2CC2)CN(c2cccc(Br)c2CBr)CCN1Cc1ccccc1 2094733846 XZAAQYQXBWCZHI-JOCHJYFZSA-N 478.272 5.835 50 10 JKGE Brc1cccc(CC[C@H](Br)CC2CCCCC2)c1Br 2099482935 JXJOGKUQVRILOG-AWEZNQCLSA-N 453.056 6.878 50 10 JKGE BrC[C@@]12CCC[C@H]1CN(Cc1c(Br)cccc1Br)C2 2103175570 KCTXYEPXTWRKRU-XHDPSFHLSA-N 452.028 5.209 50 10 JKGE CN(Cc1ccc(Br)cc1Br)C1(CBr)CC(C)(C)C1 2108320946 JASSPKJQINRYOF-UHFFFAOYSA-N 454.044 5.597 50 10 JKGE Cn1nc([C@H](Br)c2cc(Cl)c(Br)cc2F)c(Br)c1Cl 2110728283 NRCSBVOBCCYAFU-MRVPVSSYSA-N 495.799 5.875 50 10 JKGE Cc1cc([C@H](Cl)c2cc(I)ccc2F)c(C)cc1Br 2113358464 QWYZMCCBLHZAIG-HNNXBMFYSA-N 453.520 6.138 50 10 JKGE O=S(=O)(Cc1cccc(CBr)c1)N(Cc1ccccc1)Cc1cccs1 2123203094 DDTVDVARXXUWDV-UHFFFAOYSA-N 450.423 5.175 50 10 JKGE CC12CCC([C@H](Cl)c3c(Br)sc(Br)c3Br)(CC1)CO2 2133547193 DPLXSLRKSHWOHR-UHEGKEBESA-N 493.486 6.665 50 10 JKGE Cc1cc(Br)c(C)c([C@H](Cl)c2ccccc2Br)c1Br 2136368710 AIMJUSTZDXFULY-OAHLLOKOSA-N 467.426 6.919 50 10 JKGE Cc1cc([C@H](Cl)c2c(C)c(Br)cc(C)c2Br)sc1Br 2136371744 QBVUDNIYPFJLFU-ZDUSSCGKSA-N 487.482 7.289 50 10 JKGE CC1(C)C[C@@H]([C@@H](Br)c2ccc(Br)cc2Br)C(C)(C)O1 2138854419 ZLCXWNRALXJXJF-AAEUAGOBSA-N 455.028 6.241 50 10 JKGE Clc1cc(C[C@@]2(CBr)CCCCC23CC3)ccc1I 2142941810 YNZCUFLXLOZPCX-MRXNPFEDSA-N 453.589 6.223 50 10 JKGE ClCc1cc(OCc2ccc(I)c(Cl)c2)ccc1Br 2142947671 UOBMMZCGOOJAAA-UHFFFAOYSA-N 471.947 6.025 50 10 JKGE C[C@@H]1Cc2cc([C@H](Br)c3ccccc3Br)cc(Br)c2O1 2146629496 RORDWEQTFDFQCW-PSLIRLAXSA-N 460.991 6.019 50 10 JKGE BrCc1ccc(Br)cc1N1CCc2cc(Br)ccc2C1 2149910589 XPVYGOCRJLYKBM-UHFFFAOYSA-N 460.007 5.669 50 10 JKGE CC1(C)CCC[C@@]1(CBr)NC(=O)c1ccc(I)c(Cl)c1 2150546357 SPLLDMYTASDRCM-HNNXBMFYSA-N 470.576 5.018 50 10 JKGE Cc1cc(Br)c([C@H](Br)[C@H]2C[C@H]2C2CCCCC2)cc1Br 2199992121 BQGUHFKDXMTOJO-GDZNZVCISA-N 465.067 7.172 50 10 JKGE COc1cc(F)c([C@@H](Cl)c2ccc(F)cc2I)cc1Br 2202914000 PZVCRFMZPGQUBM-AWEZNQCLSA-N 473.482 5.669 50 10 JKGE O=C(c1cccc(Br)c1Br)N1CCCC[C@H]1CCCBr 2206663435 BRTWQJPFSIPMAQ-NSHDSACASA-N 468.027 5.381 50 10 JKGE Clc1cc(CN2CCC[C@]3(CBr)CCC[C@@H]23)ccc1I 2208035235 CUGUERTUXCHGIL-CVEARBPZSA-N 468.604 5.474 50 10 JKGE C[C@H](COCc1ccccc1)n1c(CCCl)nc2cc(Br)c(Br)cc21 2218657167 KTAKABZPIIXOHX-CYBMUJFWSA-N 486.635 6.120 50 10 JKGE Cc1cc(C(=O)N(Cc2ccccc2)[C@H](CBr)C2CC2)cc(C)c1Br 2220194829 BCEQTZAVQNQMDQ-LJQANCHMSA-N 465.229 5.882 50 10 JKGE CC(C)(C)OC(=O)N1CCC[C@](CI)(O[C@H]2CC[C@@H](C(F)(F)F)CC2)C1 2231401396 UKELERWDDAAPLU-JKIFEVAISA-N 491.332 5.329 50 10 JKGE C[C@@H]1C[C@@H]2C[C@@H]2C[C@@H]1[C@H](Br)c1c(Br)cc(Cl)c(Cl)c1Cl 2232520393 OMAMVAPKPBKKAG-CMDUOZMTSA-N 461.452 7.528 50 10 JKGE Cc1cc(Br)c([C@H](Br)[C@@H]2C[C@H]3CCC[C@H](C3)C2)cc1Br 2233658764 YBHNLHMSVQMWLW-ZOPJHEKZSA-N 465.067 7.172 50 10 JKGE CC1(C)C2CCC1([C@H](Br)c1cc(Br)c(Br)cc1F)CC2 2233973763 BHZYYGLRWLTSFP-WWHNBRCNSA-N 469.030 7.003 50 10 JKGE CCCOc1ccc([C@H](Br)c2cc(Br)c(C)s2)cc1Br 2234476141 WAIUNXJJWBREGA-HNNXBMFYSA-N 483.063 6.855 50 10 JKGE Fc1cc(Br)c(Br)cc1[C@H](Br)[C@H]1OCC[C@@H]1C(F)(F)F 2240516897 VOKICCNRIQIVAX-CYUDJLOBSA-N 484.907 5.754 50 10 JKGE Cc1cc(Br)c(C)c([C@@H](Br)[C@@H]2CCC23CCC3)c1Br 2266138068 HYYNIVUAZOBSBH-NHYWBVRUSA-N 451.040 6.845 50 10 JKGE COc1c([C@@H](Cl)c2cc(I)sn2)cc(Br)c(C)c1C 2269165293 XCVUINDZYZTAPL-GFCCVEGCSA-N 472.573 5.464 50 10 JKGE CC1(C)C[C@@H]([C@H](Br)c2c(F)cc(Br)c(F)c2Br)CO1 2272724208 NTGGVUXOMCQYJI-LDWIPMOCSA-N 462.954 5.741 50 10 JKGE Clc1cccc([C@@H](Cl)c2cc(I)cc3c2OCC3)c1Br 2283189616 TWYJNOOSQSZFPK-CQSZACIVSA-N 483.958 5.970 50 10 JKGE Cc1cc(Br)c([C@H](Br)C2CC3(CC(F)C3)C2)c(C)c1Br 2287698222 RICADRYZUKRCIT-RGMKSQPISA-N 469.030 6.793 50 10 JKGE Fc1cc(Br)c(F)c(Br)c1[C@H](Br)[C@H]1CC12CCCCC2 2288343804 BWEGXTIEIDCAMH-PRHODGIISA-N 472.993 6.896 50 10 JKGE CC(C)(C)n1c(CBr)nnc1Cc1cc(Br)cc(Br)c1 2295316193 VHWRDJOLDMMUBZ-UHFFFAOYSA-N 466.015 5.044 50 10 JKGE Cc1ccc(CCl)cc1NC(=O)c1cc(I)ccc1Br 2296108436 CXFYOBNIBVZZJC-UHFFFAOYSA-N 464.528 5.353 50 10 JKGE C=CCN1C(=O)C(=Cc2ccc(-c3ccc(Cl)c(C(=O)OCC(C)C)c3)o2)C(C)=C(C#N)C1=O 2297316810 ZQPMRTULVCVUEM-UHFFFAOYSA-N 478.932 5.191 50 10 JKGE Cc1cc([N+](=O)[O-])ccc1NC(=O)C(C#N)=Cc1ccccc1OCc1cccc2ccccc12 2297551614 UPEVQEPJFYJWJL-UHFFFAOYSA-N 463.493 6.181 50 10 JKGE CCN[C@@H](c1ccc(OCc2ccccc2)cc1Br)[C@H]1C[C@H](Br)C1 2299496073 NCBCDVJDONGJKH-JXXFODFXSA-N 453.218 5.852 50 10 JKGE CN[C@H](c1c(Cl)cc(Br)c(F)c1Br)[C@@H]1C[C@H]1Br 2300177564 XYKSXNUORZBCAH-NWWTUURKSA-N 450.371 5.048 50 10 JKGE FC(F)(F)C(F)(F)C[C@H](Br)c1sc(Cl)cc1I 2300997319 GKWLVMCNGJAYAS-VKHMYHEASA-N 469.438 6.030 50 10 JKGE Cc1cc(Br)c(F)c(Br)c1[C@H](Br)C1CC(Br)C1 2301492395 OOGXVIUJVHSNDS-HNQUHTCLSA-N 493.834 6.269 50 10 JKGE COc1cc(C=C(C#N)C(=O)N2CCN(c3ccccc3)CC2)ccc1OCc1ccc(Cl)cc1 2313545727 AYGGYJLYMNKFLE-UHFFFAOYSA-N 487.987 5.183 50 10 JKGE COc1ccc(CNC(=O)C(C#N)=Cc2ccc(OCc3ccc(Br)cc3)cc2)cc1 2313670668 ODWXTHPJYJJIMO-UHFFFAOYSA-N 477.358 5.260 50 10 JKGE FC(F)([C@H]1CCOC1)[C@H](Br)c1cc(Br)ccc1OCc1ccccc1 2314439835 KLCNFLKQSJPOQU-KBXCAEBGSA-N 476.155 6.136 50 10 JKGE Cc1nn(C)c([C@@H](Cl)c2cc(Br)ccc2OCc2ccccc2)c1Br 2314494306 HVMPKHDPSWAQRY-SFHVURJKSA-N 484.619 6.161 50 10 JKGE Cc1cc(OCCCC(=O)Oc2ccc(C=C(C#N)C(=O)NCc3ccco3)cc2)cc(C)c1Cl 2314760364 MZXFHSXXPWGWGV-UHFFFAOYSA-N 492.959 5.538 50 10 JKGE Clc1cc(I)c([C@@H](Br)C2C3(CCC3)C23CCC3)s1 2316596388 DRIKVUTUZKAGQV-SNVBAGLBSA-N 457.602 6.413 50 10 JKGE ClCc1c(Cl)ncnc1Oc1cc(Br)cc(I)c1 2316758386 HBOGAQSPSHCGEY-UHFFFAOYSA-N 459.896 5.028 50 10 JKGE COc1ccc(C(=O)Oc2ccc(C=C(C#N)c3ccc(OC)c(OC)c3)cc2OC)cc1OC 2320506778 RIWRHYUKYVUBGS-UHFFFAOYSA-N 475.497 5.013 50 10 JKGE CCOc1ccc(C=CC(=O)Oc2ccc(C=C(C#N)c3cccc(Cl)c3)cc2)cc1OC 2320507064 XWLZIFAVWKMANE-UHFFFAOYSA-N 459.929 6.430 50 10 JKGE COc1ccc(Br)cc1C=C1Oc2cc(OC(=O)C(Cl)Cl)cc(C)c2C1=O 2323763001 AZDLKHAKDBTLLQ-UHFFFAOYSA-N 472.118 5.091 50 10 JKGE C[C@H]1CCC[C@](CBr)(Cc2ccc(I)c(Br)c2)O1 2325219686 AFOGBMNKSMPRAY-IINYFYTJSA-N 488.001 5.319 50 10 JKGE N#CC(=CNc1ccccc1Sc1ccccc1)C(=O)Nc1cc([N+](=O)[O-])ccc1Cl 2325255073 SCMRNPXDILTNDG-UHFFFAOYSA-N 450.907 5.857 50 10 JKGE COc1cccc(-c2csc(C(C#N)=C(O)c3ccc4c(c3)C(=O)N(c3ccc(F)cc3)C4=O)n2)c1 2331248617 DHOIZASRQDNLHX-UHFFFAOYSA-N 497.507 5.708 50 10 JKGE N#CC(=C(O)c1ccc(N2C(=O)c3ccccc3C2=O)cc1)c1nc(-c2ccc(F)cc2)cs1 2331342599 LAFDIRXEENKPTQ-UHFFFAOYSA-N 467.481 5.700 50 10 JKGE CC[C@@H](C)[C@@H](C(O)=C(C#N)c1nc(-c2ccc(C)c(C)c2)cs1)N1C(=O)c2ccccc2C1=O 2331385213 KGVFROGIXIOLBB-CMJOXMDJSA-N 471.582 5.931 50 10 JKGE CCOc1ccc([C@@H](Br)c2cc(Br)ccc2OCc2ccccc2)cc1 2336050070 HZNFMHSGDBYOFY-JOCHJYFZSA-N 476.208 6.911 50 10 JKGE COc1c(Br)cc(Cl)cc1[C@@H](Br)c1c(Br)ncn1C 2337272572 KQLYEPSNFQOSED-SECBINFHSA-N 473.390 5.091 50 10 JKGE Cc1c(CO[C@]2(CBr)CCCN(C(=O)OC(C)(C)C)C2)ccc(Cl)c1Cl 2339412593 PXZMPZQBJCIKCT-IBGZPJMESA-N 467.231 5.983 50 10 JKGE Cc1cc(Br)c(F)c(Br)c1[C@H](Br)C[C@@H]1CC[C@@H](C)O1 2339652707 BTBICASNNKRORQ-KXUCPTDWSA-N 458.991 6.053 50 10 JKGE Brc1cc(C[C@@H]2C[C@@H]3CCCC[C@H]3[C@H]2Br)ccc1I 2349778623 NCYMBRVQJQUJAY-VLXAULBPSA-N 498.040 6.186 50 10 JKGE Brc1cc(C[C@H]2C[C@@H](Br)CC3(CCC3)C2)ccc1I 2349808267 LGVKYHDQESKRHI-QWHCGFSZSA-N 498.040 6.330 50 10 JKGE Clc1ccc(I)cc1CO[C@@H]1C[C@H](Br)C12CCCC2 2352248752 UGIHFEWSDODKER-UONOGXRCSA-N 455.561 5.557 50 10 JKGE CN(Cc1c(Br)c(Br)nn1C)c1ccc(CCl)c(Br)c1 2364377428 VUPRBLAHMWUGCJ-UHFFFAOYSA-N 486.433 5.083 50 10 JKGE Cc1cc(Br)c(F)c(Br)c1[C@H](Br)[C@@H]1[C@H](C)O[C@@H](C)[C@H]1C 2365180701 STKHPQPAJCJPHF-KIXCIYMXSA-N 473.018 6.155 50 10 JKGE Cc1cc(Br)c(F)c(Br)c1[C@@H](Br)[C@@H]1C[C@@]1(C)C(F)(F)F 2365190176 CCAIUANQOJKKFQ-ZKQGETEISA-N 482.935 6.684 50 10 JKGE COc1c(Br)cc(C)c([C@H](Br)C[C@@H]2OCC[C@@H]2C)c1Br 2365216223 RVRFKBCFMIFDSE-XRNSZHNASA-N 471.027 5.780 50 10 JKGE COCCC1([C@@H](Br)c2c(C)cc(Br)c(OC)c2Br)CC1 2365216612 WDIKZQRONHIKNA-AWEZNQCLSA-N 471.027 5.781 50 10 JKGE COC(C)(C)C1([C@@H](Br)c2c(C)c(Br)cc(C)c2Br)CC1 2369722564 GIYKRQLHDVIHCZ-AWEZNQCLSA-N 469.055 6.470 50 10 JKGE CCOc1ccc(C[C@H]2S/C(=C(\C#N)C(=O)Nc3ccccc3)N(c3ccccc3)C2=O)cc1 2266207 NHJBNVAVFIGHFG-GUNDDFSMSA-N 469.566 5.150 50 10 JKGE N#C/C(C(=O)Nc1ccccc1F)=C1\S[C@@H](Cc2ccccc2Cl)C(=O)N1c1ccccc1 13563843 FKUNMRPUOYWNRX-BOJFNEGLSA-N 477.948 5.544 50 10 JKGE Br[C@H]1CCCC[C@H]1[n+]1c(-c2ccccc2)cc(-c2ccccc2)cc1-c1ccccc1 15770123 AJFJBOTYRURHMT-RRPNLBNLSA-N 469.446 7.854 50 10 JKGE Cc1cc([C@@H]2C(C#N)=C(N)N(c3ccc(Cl)c([N+](=O)[O-])c3)C3=C2C(=O)CC(C)(C)C3)c(C)s1 27550459 HOQUGEROEXTDBC-OAQYLSRUSA-N 482.993 5.867 50 10 JKGE CCOc1cc(/C=N/NC(=O)CSc2nc3ccccc3s2)ccc1OCc1cccc(C)c1 32520707 WZIKFMOYDCRVOQ-JFLMPSFJSA-N 491.638 5.825 50 10 JKGE N#C/C(=C\c1ccc(-c2cc(C(F)(F)F)ccc2Cl)o1)c1nc(-c2ccc(Cl)cc2)cs1 33567857 OOMJZSNENDOLAY-NTEUORMPSA-N 491.321 8.460 50 10 JKGE CCOC(=O)c1c(NC(=O)/C(C#N)=C\c2ccc(-c3ccc(C)cc3)o2)sc2c1CC[C@H](C)C2 33928773 KTUNNOVWZSHKBU-FJSNCCPHSA-N 474.582 6.164 50 10 JKGE N#C/C(=C/c1ccc(-c2ccc(Cl)cc2)o1)C(=O)Nc1ccc([N+](=O)[O-])cc1Br 33930259 BQEMTXXYBSOWCB-LCYFTJDESA-N 472.682 5.816 50 10 JKGE N#C/C(=C\c1c[nH]nc1-c1cccc([N+](=O)[O-])c1)C(=O)Nc1ccc(Cl)c(C(F)(F)F)c1 35518567 IKYWYQPELLXXCG-WUXMJOGZSA-N 461.787 5.203 50 10 JKGE CCCCOc1ccc(C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@H]3c2ccccc2Cl)cc1 38651034 FWQVUOSUJZESCI-VWLOTQADSA-N 474.944 5.956 50 10 JKGE Cc1ccc(OCC(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@@H]3c2cccc3ccccc23)cc1C 38657872 YRVPTIADXWUJLW-GDLZYMKVSA-N 476.532 5.659 50 10 JKGE C=CCOc1ccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4cccc(Cl)c4)ccc32)cc1OC 38681155 DIGDASJEBZDKRY-VWLOTQADSA-N 488.927 5.351 50 10 JKGE CCCOc1cccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4ccc(Cl)cc4Cl)ccc32)c1 38684406 RKXAIHFVTPEYTD-XMMPIXPASA-N 495.362 6.220 50 10 JKGE C=CCOc1ccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4oc5ccc(C)cc5c4C)ccc32)cc1 38688596 WRNGEBQKPLHTCR-MHZLTWQESA-N 492.531 6.052 50 10 JKGE CC(C)c1ccc(NC(=S)NNC(=O)c2ccc(-c3ccc(Cl)c(C(F)(F)F)c3)o2)cc1 39892562 SPIKEISWDMTBIZ-UHFFFAOYSA-N 481.927 6.374 50 10 JKGE Cc1cccc(Oc2nc3c(C)cccn3c(=O)c2/C=C(\C#N)C(=O)Nc2ccc(F)cc2)c1C 39993076 VRKAIUHKPGFPJM-XMHGGMMESA-N 468.488 5.097 50 10 JKGE CCOc1ccc(/C=N/NC(=O)CSc2nc(-c3ccc(Cl)cc3)cs2)cc1OCC 40924828 DZSXJJGRVYGKEE-WYMPLXKRSA-N 476.023 5.503 50 10 JKGE CCOc1ccc([C@@H](O)CCC(=O)N/N=C\c2c(C)n(Cc3ccccc3F)c3ccccc23)cc1 58894726 XNRBROGILWBUMP-ZHORMKCVSA-N 487.575 5.500 50 10 JKGE C[C@H](Oc1ccc(Cl)cc1Cl)C(=O)N/N=C1\C(=O)N(C/C=C/c2ccccc2)c2ccccc21 59160400 NISFBTQCGGONKD-JVHPBHBUSA-N 494.378 5.341 50 10 JKGE COc1ccc(CNC(=O)/C(C#N)=C/c2cc(Br)ccc2OCc2cccc(F)c2)cc1 59297234 BYYMCJJCQNUARU-UDWIEESQSA-N 495.348 5.399 50 10 JKGE N#C/C(=C/c1cccc(NC(=O)c2ccccc2Cl)c1)C(=O)Nc1ccccc1Oc1ccccc1 95949621 UZOYMLGJAMWICX-FXBPSFAMSA-N 493.950 6.930 50 10 JKGE CCN(CC)c1ccc(/C=C(\NC(=O)c2ccccc2)C(=O)N/N=C/c2cccc(Cl)c2)cc1 96557037 IOFXACWYTNIAAR-OUPLGOGSSA-N 474.992 5.107 50 10 JKGE COc1cc([C@H](C(=O)NC2CCCCC2)N(C(=O)CCl)C2CCCCC2)ccc1OC(C)C 97914664 TZRZKIGJGNDGTB-RUZDIDTESA-N 479.061 5.373 50 10 JKGE COc1cccc(CN(C(=O)CCl)[C@H](C(=O)NC2CCC(C)CC2)c2ccc(C)cc2)c1 97914737 HVLMNDCQYWZGEX-KRFYGZOHSA-N 457.014 5.007 50 10 JKGE CCCCCCCOc1ccc(C(=O)NNC(=O)COc2ccc(Cl)cc2Cl)cc1 100153603 YRIQRRUDYYPTOA-UHFFFAOYSA-N 453.366 5.183 50 10 JKGE CNC(=O)/C(C#N)=C1\S[C@@H](Cc2ccc(Cl)cc2Cl)C(=O)N1c1ccc(C(C)C)cc1 101240540 MTZDVJAUAKZWFP-IRJMIRDBSA-N 474.413 5.289 50 10 JKGE BrCc1ccc(OCCOc2cccc(Br)c2)c(Br)c1 110379495 PUCJHXNGTZWCOM-UHFFFAOYSA-N 464.979 5.564 50 10 JKGE Fc1cccc(Cl)c1[C@@H](Br)c1cc(Br)c(Br)s1 128231525 MRQPCASPBARZRI-JTQLQIEISA-N 463.391 6.550 50 10 JKGE Cc1cc(Br)c([C@H](Br)C23CC4CC(CC(C4)C2)C3)cc1Br 128791397 SRLNIJSLVGOHBQ-OKDIFOJXSA-N 477.078 7.172 50 10 JKGE O=C1Cc2cc([C@H](Br)c3cc(Br)ccc3Br)ccc2N1 161085206 XWPKEZJSMZGTGL-HNNXBMFYSA-N 459.963 5.191 50 10 JKGE CCCCCN1C(=O)C(C#N)=C(C)/C(=C/c2cn(-c3ccccc3)nc2-c2cc(C)ccc2C)C1=O 214232654 CIWDEWGHMNQJFF-ONUIUJJFSA-N 478.596 5.939 50 10 JKGE Clc1ccc([C@@H](Cl)c2cc(Br)ccc2I)cc1Cl 236040678 HRHPBQRIKROCEQ-CYBMUJFWSA-N 476.366 6.689 50 10 JKGE CCC(=NNC(=O)c1sc2cccc(Cl)c2c1Cl)c1ccc(Br)s1 252597195 CPGAWEPCPYRABA-UHFFFAOYSA-N 462.221 6.576 50 10 JKGE Cc1cc(-c2ccc(C=NNC(=O)c3cc4c(ccc5ccccc54)o3)o2)cc([N+](=O)[O-])c1C 252633362 WDDTUGVXHFEHFB-UHFFFAOYSA-N 453.454 6.135 50 10 JKGE CCCCCCCCOc1ccc(OCC(=O)NN=Cc2ccc(N(CC)CC)cc2)cc1 252635546 WYCMDNCVSHMMKT-UHFFFAOYSA-N 453.627 5.801 50 10 JKGE O=C(CSc1nnc(-c2ccccc2)n1-c1ccccc1)NN=Cc1cccc2ccccc12 254757936 FQTSCOUWVHZVMP-UHFFFAOYSA-N 463.566 5.330 50 10 JKGE CCC(=NNC(=O)c1cc(-c2cccc(OCC(C)C)c2)nc2ccccc12)c1cc(O)ccc1O 254791542 QALPGEVLLKPUMQ-UHFFFAOYSA-N 483.568 5.892 50 10 JKGE CC[C@H]1CCCC[C@@H]1Oc1c(Br)cc(Br)cc1CBr 311967904 MMIGRQDDSGBRSW-HZMBPMFUSA-N 455.028 6.454 50 10 JKGE Cc1cc(Br)c([C@H](Cl)c2c(C)cccc2Br)cc1Br 312101029 UOPTXFUYUFTIHM-HNNXBMFYSA-N 467.426 6.919 50 10 JKGE Cc1cc(C)c([C@@H](Cl)c2cc(Br)ccc2Br)c(C)c1Br 312520855 FXCPFCWTNUQGBX-INIZCTEOSA-N 481.453 7.228 50 10 JKGE ClCCc1nc2cc(I)ccc2n1C[C@@H]1CCCN(Cc2ccccc2)C1 312624004 HXUUHGVLYSDOIA-GOSISDBHSA-N 493.820 5.334 50 10 JKGE CC(C)(COCc1ccccc1)n1c(CCl)nc2cc(I)c(F)cc21 389993340 NOENNDGJYUBPBR-UHFFFAOYSA-N 472.729 5.471 50 10 JKGE BrCC(CBr)(CCC[C@H]1CCOC1)c1cccc(Br)c1 400631028 IBYFFEGPJJTXBI-ZDUSSCGKSA-N 469.055 5.684 50 10 JKGE Fc1cc(Br)c([C@@H](Br)c2nscc2Br)c(F)c1F 404865020 QZZHIGTURYMCGX-SSDOTTSWSA-N 465.914 5.570 50 10 JKGE Oc1nc2ccc([C@@H](Br)c3scc(Br)c3Br)cc2[nH]1 705464297 KMDYYJBULMXQRD-SECBINFHSA-N 466.980 5.339 50 10 JKGE CCCCC(C)=NNC(=O)c1ccc(CN(c2cccc(Cl)c2Cl)S(C)(=O)=O)cc1 725406885 NFJYKECUDNZKRS-UHFFFAOYSA-N 470.422 5.256 50 10 JKGE COc1cccc(/C=C(/C#N)C(=O)Nc2cccc([N+](=O)[O-])c2)c1OCc1ccc(Cl)cc1Cl 1083994780 VWZNQRDQYHJVLL-YVLHZVERSA-N 498.322 6.035 50 10 JKGE Cc1cc(C=NNC(=O)CSc2ccc(Cl)cc2)c(C)n1-c1cccc(Br)c1 1084369129 RFEDRZKCYBKBKC-UHFFFAOYSA-N 476.827 5.752 50 10 JKGE O=C(NN=Cc1cc(Cl)cc(Cl)c1O)c1[nH]c(-c2ccccc2)cc1-c1ccccc1 1084606733 MILAZSAGDYIHHF-UHFFFAOYSA-N 450.325 6.125 50 10 JKGE CC1(C)Cc2cc(NC(=O)N/N=C(\c3ccc(Cl)cc3)c3ccc(OC(F)F)cc3)ccc2O1 1616045917 KHKVXYKKNXWTNW-JBASAIQMSA-N 485.918 6.229 50 10 JKGE Cc1c(C(=O)Nc2ccc(Cl)cc2Cl)oc2c1C(=NNC(=O)c1ccncc1)CCC2 1772745499 CNMFOEWORYMDMS-UHFFFAOYSA-N 457.317 5.013 50 10 JKGE Cc1c(C(=O)Oc2cccc3ccccc23)oc2c1C(=NNC(=O)Cc1ccccc1)CCC2 1772749835 PZDIWYYTAPQXLX-UHFFFAOYSA-N 452.510 5.360 50 10 JKGE Cc1ccc(COc2ccc(C=NNC(=O)[C@@H](C)Oc3cc(C)c(Cl)c(C)c3)cc2)cc1 1772755633 BCXLRKISNQVTIZ-HXUWFJFHSA-N 450.966 5.762 50 10 JKGE CCc1nn(Cc2c(F)cccc2Cl)c2c1[C@H](c1c(OC)ccc3ccccc13)C(C#N)=C(N)O2 1865688448 SEDGUWUGAMXTCA-DEOSSOPVSA-N 488.950 5.666 50 10 JKGE N#CC1=C(N)Oc2c(c(-c3ccccc3)nn2Cc2cccc(Cl)c2)[C@H]1c1cc(Cl)ccc1O 1865689141 LCYREADXKQDGFW-QFIPXVFZSA-N 489.362 5.829 50 10 JKGE CCOc1cccc([C@@H]2C(C#N)=C(N)Oc3c2c(-c2ccc(OC)cc2)nn3-c2cccc(Cl)c2)c1 1865690431 QZBCOCULGKRNNA-XMMPIXPASA-N 498.970 5.818 50 10 JKGE Cc1ccc(COc2ccc([C@H]3C(C#N)=C(N)Oc4c3c(C)nn4Cc3ccccc3F)cc2)cc1 1865694510 YQBLCFINTMDEQU-MHZLTWQESA-N 480.543 5.485 50 10 JKGE COc1cc([C@@H]2C(C#N)=C(N)Oc3c2c(C)nn3Cc2c(F)cccc2Cl)ccc1OC(C)C 1865697328 ZVEDDXUEFNUAMS-HSZRJFAPSA-N 482.943 5.046 50 10 JKGE COc1cc([C@@H]2C(C#N)=C(N)Oc3c2c(-c2ccccc2)nn3-c2ccc(Cl)cc2)ccc1O 1865706230 QRZXWQPOJMOQEF-JOCHJYFZSA-N 470.916 5.125 50 10 JKGE CCCc1nn(Cc2ccc(Cl)cc2)c2c1[C@H](c1cc(Cl)c(O)c(OC)c1)C(C#N)=C(N)O2 1865707381 VPEPTGVUXDZLDY-HXUWFJFHSA-N 485.371 5.123 50 10 JKGE COc1cc(/C=N\NC(=O)c2ccc(-c3ccc(C)c(C)c3)nc2C)ccc1OCc1ccccc1 1865761187 FSLSKKLXWBACIM-MNBJERMJSA-N 479.580 6.025 50 10 JKGE CCOC(=O)c1c(NC(=O)/C(C#N)=C/c2ccccc2)sc(C(=O)OC2CCCCC2)c1C 1865911590 SKDXWZXBCIWFRH-NBVRZTHBSA-N 466.559 5.268 50 10 JKGE CCN(CCC1(c2ccccc2)CCCC1)C(=O)/C(C#N)=C/c1cccc(Br)c1 1866366535 JMCDURGIGVUYIO-HEHNFIMWSA-N 451.408 6.107 50 10 JKGE C[C@H](Oc1ccc(Cl)cc1Cl)/C(O)=C(\C#N)c1nc(-c2ccc3c(c2)OCO3)cs1 1872752443 CFNYRBDXALGVHA-CJJSWDBDSA-N 461.326 6.106 50 10 JKGE COc1ccc(-c2csc(/C(C#N)=C(\O)COc3ccc(C)cc3C(C)(C)C)n2)c(OC)c1 1872755224 DJNKWDPSSWSMSN-QOCHGBHMSA-N 464.587 6.305 50 10 JKGE COc1cc(Cl)c(C)cc1-c1csc(/C(C#N)=C(\O)CCN2C(=O)c3ccccc3C2=O)n1 1872757176 TWQUFZYXQGDKFG-JZJYNLBNSA-N 479.945 5.260 50 10 JKGE COc1cc(Br)cc(/C=C(\C#N)c2nc(-c3c[nH]c4ccccc34)cs2)c1O 1872791209 BOVSBXJULXGXTF-AWNIVKPZSA-N 452.333 5.832 50 10 JKGE N#C/C(=C\c1cc(Br)cc(Br)c1O)c1nc(-c2cccs2)cs1 1872791704 PFHTWNJNZIVYAN-ONNFQVAWSA-N 468.195 6.166 50 10 JKGE Cc1cc(OC/C(O)=C(\C#N)c2nc(-c3ccc(-c4ccccc4)cc3)cs2)ccc1Cl 1873940673 CDCPTBOUBPVMMC-LVWGJNHUSA-N 458.970 7.311 50 10 JKGE C[C@](F)(CO[C@@H](CI)c1ccc(Br)cc1)C(F)(F)F 1876652682 ZBFXIUDKBLTGLB-QWRGUYRKSA-N 455.027 5.232 50 10 JKGE Cc1c(Cl)sc(Cl)c1[C@H](Br)c1csc(I)c1 1899889322 SKRWYAAAKSZJAZ-MRVPVSSYSA-N 468.006 6.514 50 10 JKGE CC1(C)C[C@H](N(Cc2ccccc2)c2ccc(CBr)c(Br)c2)CO1 1915484246 HBEQWASGNWFBPP-SFHVURJKSA-N 453.218 5.918 50 10 JKGE C[C@@H]1CCO[C@@H]1[C@H](Br)c1c(Br)sc(Br)c1Cl 1923068940 ZFGZLGKVDLJCEC-DVZGVGDCSA-N 453.421 5.788 50 10 JKGE COc1ccc([C@H](Br)c2c(Br)sc(Br)c2Cl)cc1C 1923073566 XZSMXOPLCWNRCW-JTQLQIEISA-N 489.454 6.728 50 10 JKGE C[C@@H]1OCC[C@H]1[C@H](Br)c1c(Br)sc(Br)c1Br 1924580665 UGLGQDDOVAKJRD-BFHQHQDPSA-N 497.872 5.897 50 10 JKGE Cl[C@@H](c1c(Br)sc(Br)c1Br)[C@@H]1[C@H]2CCCC[C@H]21 1924583216 HIXCGGZIMBMIKJ-NBBQQVJHSA-N 463.460 6.752 50 10 JKGE C[C@@H](Br)c1cnnn1-c1cc(Br)c(Br)c(Br)c1 1946434816 OIMQUAUOBOLXTM-RXMQYKEDSA-N 488.803 5.011 50 10 JKGE O=C(O)C[C@H](CCCC[C@H]1CCSS1)NC(=O)OCC1c2ccccc2-c2ccccc21 1951369463 VEINJLDSHFRMBT-ROUUACIJSA-N 471.644 6.083 50 10 JKGE Brc1cc(Br)c(NC[C@H]2C[C@H](Br)C2)c(Br)c1 1991469045 GDSQSNVUJAXNGZ-LJGSYFOKSA-N 476.832 5.560 50 10 JKGE CS(=O)(=O)c1csc([C@@H](Cl)c2cc(Br)sc2Br)c1 2032178019 SEKFKCIUXZJLRO-VIFPVBQESA-N 450.626 5.066 50 10 JKGE Brc1scc([C@H](Br)c2csc3ccccc23)c1Br 2032958980 QCIOZAQVIKZLEC-LLVKDONJSA-N 467.045 6.972 50 10 JKGE COc1sccc1[C@@H](Br)c1cc(Br)c(C)cc1Br 2034650973 ARCKHXSMUZVVLG-GFCCVEGCSA-N 455.009 6.074 50 10 JKGE BrCc1ccc(N2CCN(Cc3ccccc3)C3(CCC3)C2)cc1Br 2035793318 MCNZGOMOLMCWCG-UHFFFAOYSA-N 464.245 5.589 50 10 JKGE FC1(F)CCCCC[C@@H]1[C@@H](Br)c1sc(Br)cc1Br 2046377528 SZAZGDMWMNGXAM-GMSGAONNSA-N 467.011 6.925 50 10 JKGE FC1(F)CC2(C[C@@H]2[C@H](Br)c2c(Br)sc(Br)c2Cl)C1 2069069497 SPCQSTDCHHISMP-XINAWCOVSA-N 485.413 6.798 50 10 JKGE BrCc1c(Br)cccc1N1CCC[C@H]1[C@@H]1CCN(Cc2ccccc2)C1 2089000710 ORYIHVPWBUWBSE-NQIIRXRSSA-N 478.272 5.835 50 10 JKGE Brc1cccc(Br)c1CN1C[C@@H]2CCC[C@@H](Br)[C@H]2C1 2094580054 FWKSJENXAZFIOL-GMXVVIOVSA-N 452.028 5.207 50 10 JKGE Clc1sc(Br)c(Cl)c1[C@@H](Br)c1cc2ncccc2s1 2108685860 IXHXLCBWRHPRFU-VIFPVBQESA-N 458.027 6.911 50 10 JKGE Cc1cc(Br)c(NC(=O)[C@H](Br)C2CCCC2)c(Br)c1 2110723459 OBNZLTBPRBMHNF-GFCCVEGCSA-N 454.000 5.412 50 10 JKGE CCn1cc(Br)c(C[C@@H](CBr)c2cccc(Br)c2)n1 2124742739 DDJJOGKRHGWYCI-NSHDSACASA-N 451.000 5.149 50 10 JKGE Cc1csc([C@H](Cl)c2c(C)c(Br)cc(C)c2Br)c1Br 2136366488 IOYWBPHXMMJXBP-CYBMUJFWSA-N 487.482 7.289 50 10 JKGE Cc1cc(Cl)c(Br)cc1[C@H](Br)Cc1ccccc1Br 2137645501 LVDRVCBEXFGUKU-CYBMUJFWSA-N 467.426 6.852 50 10 JKGE Cc1sc(Br)c([C@@H](Br)c2c(F)cc(Br)cc2F)c1C 2138269648 WLFTVHYLTBNIRK-GFCCVEGCSA-N 474.990 6.652 50 10 JKGE Cc1c(Br)ccc([C@H](Br)[C@@H]2CCC[C@@H]2C(C)C)c1Br 2138851271 JVDIUFCNCCYTOL-XHBSWPGZSA-N 453.056 7.028 50 10 JKGE Cc1c(Br)ccc([C@H](Br)C2C[C@H]3CCC[C@@H]3C2)c1Br 2138853185 PWDSXUFQCPLSMX-GLKRBJQHSA-N 451.040 6.782 50 10 JKGE FC1(F)CC[C@@H](Br)[C@@H](Cc2ccc(I)c(Cl)c2)CC1 2142954099 VIIVEXADDUVMQI-GHMZBOCLSA-N 463.531 6.076 50 10 JKGE C[C@H](Cl)c1nc2cc(Br)cnc2n1[C@H]1CCOC[C@@H]1OCc1ccccc1 2146522739 NFIUCKGBVNVSJZ-KKXDTOCCSA-N 450.764 5.040 50 10 JKGE O=C1CCc2cc([C@@H](Br)c3csc(Br)c3Br)ccc2N1 2150341391 BQHIGEKKQMESTA-GFCCVEGCSA-N 480.019 5.642 50 10 JKGE Clc1cc([C@@H](Br)Cc2ccc3c(c2)CCO3)ccc1I 2168654912 SZLLXZLLWDXKMX-ZDUSSCGKSA-N 463.540 5.558 50 10 JKGE F[C@@H](COc1c(Br)cc(CBr)cc1Br)C1CCOCC1 2178092783 MMOCUHWFAUCJJR-ZDUSSCGKSA-N 474.990 5.250 50 10 JKGE COc1cc(C)c([C@H](Br)c2ccc(F)c(Br)c2)cc1Br 2198736418 DQDUAGSWFNLUMC-OAHLLOKOSA-N 466.970 6.152 50 10 JKGE Cc1c(Br)ccc([C@@H](Br)C[C@@H](C(F)F)C(C)(C)C)c1Br 2203702960 HBSNSBXQGDIIDL-JQWIXIFHSA-N 477.025 7.274 50 10 JKGE COc1cc(F)c(F)cc1[C@H](Cl)c1cc(Br)ccc1I 2204492209 OEQNJFRMFSIKLM-CQSZACIVSA-N 473.482 5.669 50 10 JKGE O=C(c1ccc(I)c(Br)c1)N1CCCC[C@H]1CCCCl 2206667918 NIDAATNBMXKFNS-LBPRGKRZSA-N 470.576 5.067 50 10 JKGE CC[C@@H](Br)CN(Cc1ccccc1)C(=O)c1cc(C)ccc1I 2212708689 UREIHRZWYOVARR-MRXNPFEDSA-N 486.191 5.416 50 10 JKGE CCCN1C[C@@H](c2sc(Br)c(Br)c2Br)[C@@H](Cl)C1 2216390824 CYWZOYRSWFLMFI-RQJHMYQMSA-N 466.464 5.452 50 10 JKGE Cc1cc(C)c([C@@H](Br)c2cc(Br)c(C)cc2Br)s1 2218856233 UJKFGRUFFZCSJW-ZDUSSCGKSA-N 453.037 6.683 50 10 JKGE Cc1cc(Br)c([C@H](Br)c2ccsc2Cl)c(C)c1Br 2220145364 JBRFTKLSPVSNJF-GFCCVEGCSA-N 473.455 7.028 50 10 JKGE CCCCCCCCCO[C@](C)(CI)CN(CC)C(=O)OC(C)(C)C 2223270935 XCPOTDUWNCZWNL-HXUWFJFHSA-N 469.448 6.204 50 10 JKGE COc1ccc(Br)cc1[C@@H](Br)c1ccc(C)c(I)c1 2224621807 JRNQYIDRSRGRDW-HNNXBMFYSA-N 495.980 5.855 50 10 JKGE CC1(C)CO[C@@H](C[C@H](Br)c2cc(Br)c(Br)cc2F)C1 2225633656 KVNIEMVIZFAHGI-WPRPVWTQSA-N 458.991 5.992 50 10 JKGE C[C@H](Cl)c1nc2cc(Br)c(Br)cc2n1C[C@@H]1C[C@@H]1Br 2225696711 IITXAPWTPRBYQA-FXQIFTODSA-N 471.418 5.645 50 10 JKGE Fc1cccc([C@@H](Br)Cc2ccc(Br)cc2Cl)c1Br 2229153654 UISQJBKRWNBKJU-NSHDSACASA-N 471.389 6.683 50 10 JKGE COCc1csc([C@H](Br)c2c(Br)cc(Cl)c(Cl)c2Cl)c1 2232517953 YBVAQLSFOMVAIG-NSHDSACASA-N 479.448 7.102 50 10 JKGE Cc1c(Br)sc([C@H](Br)CC2CC(OC(C)(C)C)C2)c1Br 2232951549 SFOQRXZUCBSBCI-VQXHTEKXSA-N 489.111 7.001 50 10 JKGE Fc1cc(Br)c(Br)cc1[C@H](Br)Cc1c(F)cccc1Cl 2233977325 UKYVURDIQGTEDB-SECBINFHSA-N 489.379 6.822 50 10 JKGE Cc1cc(Br)c([C@H](Br)[C@@H]2CC23CCCCC3)c(C)c1Br 2235603466 BEWIRMNEBAXCLE-BLLLJJGKSA-N 465.067 7.235 50 10 JKGE O=C(c1csc(Br)c1Br)N1[C@H](CBr)C[C@H]2CCCC[C@@H]21 2240731464 SPALBWUWLQOOQK-YWVKMMECSA-N 486.067 5.441 50 10 JKGE CCN(C[C@](C)(CI)OCC[C@@H]1CCCC12CC2)C(=O)OC(C)(C)C 2255319340 DCTSABDIXQDEHK-LPHOPBHVSA-N 465.416 5.424 50 10 JKGE Fc1cc([C@H](Cl)c2cc(Br)sc2Br)c(Cl)cc1Br 2255970461 VNUKNUNKMOZMSP-JTQLQIEISA-N 497.836 7.156 50 10 JKGE CN(Cc1ccccc1I)c1ccc(CBr)cc1Br 2265530259 NTAGCOBHONEQMT-UHFFFAOYSA-N 494.996 5.585 50 10 JKGE CC(C)c1ccc([C@@](C)(CI)O[C@@H]2CCN(Cc3ccccc3)C2)cc1 2272039643 XWJSQIUFSDQBBZ-DHIUTWEWSA-N 463.403 5.751 50 10 JKGE C[C@@H]1C[C@H](C[C@@H](Br)c2c(F)cc(Br)c(F)c2Br)CO1 2272723317 FHZWPGMAUBSRMF-BWZBUEFSSA-N 462.954 5.741 50 10 JKGE CCc1sc(Br)cc1[C@@H](Br)c1cc(Br)cc(C(C)C)c1 2280677304 PMXIONCWHPYAES-INIZCTEOSA-N 481.091 7.443 50 10 JKGE C[C@H](Cl)c1nc2cnc(C(C)(C)C)nc2n1CCCN(Cc1ccccc1)Cc1ccccc1 2286724014 IPXINVOEMSGRPM-NRFANRHFSA-N 476.068 6.516 50 10 JKGE CCOc1cc(C=C(C#N)C(=O)Nc2cc([N+](=O)[O-])ccc2C)ccc1OC(=O)c1ccccc1 2293452801 MLLAMPOWMXXCBF-UHFFFAOYSA-N 471.469 5.067 50 10 JKGE COc1c(Br)cc([C@@H](Br)c2ncsc2Br)c(OC)c1C 2295435361 RPBBMYRUTASXMQ-SECBINFHSA-N 486.023 5.478 50 10 JKGE CCOc1cc(C=C(C#N)C(=O)Nc2cc(C(F)(F)F)ccc2Cl)cc(Br)c1O 2295635831 XOQJWTJTSMWTRI-UHFFFAOYSA-N 489.675 5.771 50 10 JKGE Cc1ccc(C[C@H]2SC(=C(C#N)C(=O)Nc3ccccc3Cl)N(c3ccccc3)C2=O)cc1 2296506813 GJTZINGSABFQQO-HSZRJFAPSA-N 473.985 5.713 50 10 JKGE Cc1ccc(NC(=O)C(C#N)=Cc2cn(-c3ccccc3)nc2-c2ccc(OC(C)C)c(C)c2)cc1 2296703497 ZWIRCHUALOMNGA-UHFFFAOYSA-N 476.580 6.489 50 10 JKGE FC(F)(F)[C@@H]1C[C@H]1[C@H](Br)c1ccc(OCc2ccccc2)cc1Br 2299508676 KORVDYOPAOWASV-BFYDXBDKSA-N 464.119 6.663 50 10 JKGE CCOc1cc(C=C(C#N)C(=O)Nc2ccc(C)cc2)ccc1OC(=O)c1ccc(Cl)cc1 2313631614 SRGIXXMSBWPYQY-UHFFFAOYSA-N 460.917 5.812 50 10 JKGE CC[C@]12CO[C@]([C@@H](Br)c3ccc(OCc4ccccc4)cc3Br)(C1)C2 2314445758 SMBDOBLCUGBHDH-PCCBWWKXSA-N 466.213 6.423 50 10 JKGE CC(C)(C)C1([C@H](Br)c2cc(Br)ccc2OCc2ccccc2)CCC1 2314446765 VQWQSZMOVFCYLS-HXUWFJFHSA-N 466.257 7.681 50 10 JKGE CCC[C@H](CC(C)C)[C@H](Br)c1cc(Br)ccc1OCc1ccccc1 2314451148 CCMMUKMHCFCDSM-GCJKJVERSA-N 468.273 7.927 50 10 JKGE Brc1cc(OCc2ccccc2)ccc1[C@H](Br)C1CC[C@@H]2C[C@H]2CC1 2314454802 JGBZZVCXNYRXRU-JBYIUTFZSA-N 464.241 7.290 50 10 JKGE Fc1ccc([C@H](Br)c2ccc(OCc3ccccc3)cc2Br)cc1F 2314501201 VHBOFIYOLSULDF-FQEVSTJZSA-N 468.135 6.791 50 10 JKGE CCc1ccc(N2C(=O)[C@@H](Cc3ccc(F)cc3)SC2=C(C#N)C(=O)NCc2ccccc2)cc1 2314593420 MTEMEYCWMXTZAI-RUZDIDTESA-N 485.584 5.131 50 10 JKGE CCCCCCN1C(=O)C(=Cc2ccc(OCc3ccccc3F)c(OC)c2)C(C)=C(C#N)C1=O 2314611239 RHRNYESTICJOKS-UHFFFAOYSA-N 476.548 5.586 50 10 JKGE CC(C)CSc1ccc(C(=O)NN=Cc2c(C(C)C)nc3c(Cl)cc(C(F)(F)F)cn23)cc1 2321248404 DJJBNRPXYPBUGO-UHFFFAOYSA-N 496.986 6.642 50 10 JKGE Cc1ccc2nc(-c3ccc(NC=C(C#N)C(=O)N[C@@H](C)c4ccc5c(c4)CCCC5)cc3)sc2c1 2325118538 JISXQCANNMRSEW-FQEVSTJZSA-N 492.648 6.847 50 10 JKGE CSCC[C@H](NC(=O)C(C)=Cc1ccccc1Cl)C(=O)Nc1ccc(SC#N)cc1 2330490735 CVBABURSZSAIGK-FQEVSTJZSA-N 460.024 5.193 50 10 JKGE Cc1ccc(-c2csc(C(C#N)=C(O)c3ccc4c(c3)C(=O)N(c3cccc(C)c3C)C4=O)n2)cc1 2331312309 GMDYYLKUGVKQFC-UHFFFAOYSA-N 491.572 6.486 50 10 JKGE COc1ccc(C)cc1-c1csc(C(C#N)=C(O)c2cc([N+](=O)[O-])c(C)c([N+](=O)[O-])c2)n1 2331324307 HZJQPGNFZAGDDS-UHFFFAOYSA-N 452.448 5.202 50 10 JKGE CC[C@@H](C)N1C(=O)c2ccc(C(O)=C(C#N)c3nc(-c4ccc(C(C)(C)C)cc4)cs3)cc2C1=O 2331331596 SRUWPYWBPUBAKA-MRXNPFEDSA-N 485.609 6.452 50 10 JKGE COc1cc(C)c(-c2csc(C(C#N)=C(O)[C@H]3CC(=O)N(Cc4ccccc4)C3)n2)cc1C(C)C 2331353895 JHBKWVJDMYFPCV-FQEVSTJZSA-N 487.625 6.092 50 10 JKGE CCOc1ccc(OCC)c(-c2csc(C(C#N)=C(O)COc3cccc(C)c3C)n2)c1 2331376612 YIRJKBCXURNIIQ-UHFFFAOYSA-N 450.560 6.096 50 10 JKGE CSCC[C@H](C(O)=C(C#N)c1nc(-c2ccc(C)c(C)c2)cs1)N1C(=O)c2ccccc2C1=O 2331385292 QBDZTSXYMACGNG-JOCHJYFZSA-N 489.622 5.638 50 10 JKGE COc1cc(C(O)=C(C#N)c2nc(-c3cc(Cl)ccc3OC)cs2)c([N+](=O)[O-])cc1OC 2331411062 JKQLPKIMJZLVDW-UHFFFAOYSA-N 473.894 5.347 50 10 JKGE COc1cc(Br)cc(C=C(C#N)c2nc(-c3ccc([N+](=O)[O-])cc3)cs2)c1O 2331434173 GCRKDFUWPWEAJY-UHFFFAOYSA-N 458.293 5.259 50 10 JKGE Cc1cc(Br)c([C@@H](Br)[C@@]23CCCC[C@@H]2C3)c(C)c1Br 2333708803 PGZRKUFZJKQXRI-HFBAOOFYSA-N 451.040 6.845 50 10 JKGE COc1cc(C)ccc1[C@H](Br)c1ccc(OCc2ccccc2)cc1Br 2336044300 MUTHQOMTNMVZCV-JOCHJYFZSA-N 476.208 6.829 50 10 JKGE C[C@@]1([C@H](Br)c2c(Cl)cc(Br)c(F)c2Br)CCCCO1 2337106696 LKQFEKVWEXRMLP-OLZOCXBDSA-N 479.409 6.399 50 10 JKGE Fc1cccc([C@H](CBr)Cc2ccc(Cl)c(I)c2)c1 2337220467 CZMBDFKBLFYCJM-LBPRGKRZSA-N 453.520 5.805 50 10 JKGE COc1ccc(C[C@@H](Br)c2sc(Cl)cc2I)cc1F 2338779763 ZEJHKWDHKNKBRO-MRVPVSSYSA-N 475.548 5.833 50 10 JKGE Cc1ccc(CBr)c(OCc2ccc(Cl)cc2I)c1 2340112328 KGTJNXOVMICIGC-UHFFFAOYSA-N 451.529 5.727 50 10 JKGE CCC[C@@H]1CC[C@H](Br)[C@@H](Cc2cc(I)ccc2Cl)C1 2352426404 UAXSDZOCMBSWJY-JMSVASOKSA-N 455.605 6.467 50 10 JKGE C[C@]12C[C@H](C1)[C@H]([C@H](Br)c1c(F)cc(Br)c(F)c1Br)CO2 2362921363 FQHXWZWMGVYKHA-GVSFJQIHSA-N 474.965 5.741 50 10 JKGE CCCc1sc(Br)cc1[C@@H](Br)Cc1ccc(Br)cc1F 2363265198 QLBNMWCWLCJNRY-LBPRGKRZSA-N 485.054 7.043 50 10 JKGE CCN(C[C@@](C)(CBr)OCc1cc(F)ccc1C(F)F)C(=O)OC(C)(C)C 2363555729 LAXIULBOHKEZDU-LJQANCHMSA-N 454.327 5.691 50 10 JKGE CCCN[C@@H](c1c(C)cc(Br)c(F)c1Br)[C@H]1C[C@H](Br)C1 2365189803 YQHJGKWYIBGRMN-IQMDTDKHSA-N 472.034 5.873 50 10 JKGE CCOc1ccc(C)cc1[C@H](Br)c1ccc(Cl)cc1I 2365598618 RDRIJMOFELZHGS-MRXNPFEDSA-N 465.556 6.136 50 10 JKGE Clc1ccc(C[C@]2(CBr)C[C@H]3C=C[C@H]2CCC3)c(I)c1 2366730472 VUHPFCMTFGHOKM-MRRJBJDNSA-N 465.600 6.245 50 10 JKGE CC(C)(C)[C@@H]1CC[C@H]1CO[C@@H](CI)c1ccccc1Br 2369176497 VEDUBVLUOZHXRM-BJJXKVORSA-N 451.186 6.014 50 10 JKGE Clc1ccc(I)cc1CC[C@H](Br)CN1CCCCCC1 2380513893 WRCYUOLWBAIRQQ-AWEZNQCLSA-N 470.620 5.517 50 10 JKGE N#C/C(=C/c1ccc(-c2cc(Cl)ccc2Cl)o1)C(=O)Nc1ncc(Cc2ccc(F)cc2)s1 9404122 PXBWBZWVAYDNEF-GDNBJRDFSA-N 498.366 6.985 50 10 JKGE CCOc1cc(/C=C(/C#N)c2ccc([N+](=O)[O-])cc2)ccc1OCCOc1ccc([C@@H](C)CC)cc1 16610561 YPDZUXGTNGETKQ-SLTFVWKPSA-N 486.568 7.029 50 10 JKGE COC[C@@H](C)n1c(C)cc(/C=C(C#N)/C(O)=N/c2nc(-c3ccc(OC)c(OC)c3)cs2)c1C 24691121 YATSEUALDDAQLA-OVEPSTSESA-N 480.590 5.648 50 10 JKGE CCOC(=O)/C(C#N)=C\c1cn(-c2ccccc2)nc1-c1ccc(OCc2ccc(C)cc2)cc1 33375102 GNBCJVGZJQXWMD-ULJHMMPZSA-N 463.537 5.897 50 10 JKGE Cc1ccc(CN(C(=O)CCl)[C@H](C(=O)N[C@H]2CCCC[C@H]2C)c2ccccc2Cl)cc1 33404638 BQIIKOUUNUOSTL-OUOWLKGYSA-N 461.433 5.652 50 10 JKGE N#C/C(=C\C1=C(N2CCOCC2)/C(=C/c2ccccc2)CC1)C(=O)Nc1cccc(C(F)(F)F)c1 34846739 CRSSXBGDMIKGBK-RQRAPYSXSA-N 479.502 5.558 50 10 JKGE N#C/C(=C\c1cc([N+](=O)[O-])ccc1OCC(=O)Nc1ccccc1)c1nc(-c2ccccc2)cs1 35519558 WJTMFUOFHVTNEG-DEDYPNTBSA-N 482.521 5.800 50 10 JKGE CCc1ccc(O[C@H](C)C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@@H]3c2ccc(C)cc2)cc1 38649285 DWWZULLVJXRLJF-WXTAPIANSA-N 454.526 5.149 50 10 JKGE CCCOc1ccccc1[C@H]1C(C#N)=C(N)Oc2cc(OC(=O)[C@@H](C)Oc3ccccc3F)ccc21 38681605 ZTYRYVYHYUXDGE-WGDIFIGCSA-N 488.515 5.206 50 10 JKGE Cc1ccc(CNC(=O)c2oc3c(c2C)/C(=N/NC(=O)c2ccc(-c4ccccc4)cc2)CCC3)cc1 40822559 DPRJJPRDPMNMNY-MHTZHOPKSA-N 491.591 5.964 50 10 JKGE CCc1cc([N+](=O)[O-])ccc1-c1ccc(/C=C(\C#N)C(=O)Nc2ccc(Br)c(C)c2C)o1 58833196 OKDDMSILKOFNEJ-SFQUDFHCSA-N 494.345 6.342 50 10 JKGE Cc1ccc(COc2ccc(/C=N\NC(=O)CC[C@H](O)c3ccccc3)cc2Br)cc1 58889033 GKEZKERUPYDMQG-PXDDYHHSSA-N 481.390 5.300 50 10 JKGE N#C/C(=C\c1cn(Cc2ccccc2F)c2ccccc12)C(=O)Nc1cccc(C(F)(F)F)c1 59255637 FQMVQAAERIVVKX-LDADJPATSA-N 463.434 6.393 50 10 JKGE O=C(CCCNc1ccc(Br)cc1)N/N=C/c1ccccc1OCc1ccccc1 59507583 PJMJAQDMTYVGPX-WPWMEQJKSA-N 466.379 5.371 50 10 JKGE CCCCCCOc1ccc(/C=C(\C#N)C(=O)Nc2ccc(Br)cc2F)cc1OC 64984865 SQPFOIJIIXAEFS-SFQUDFHCSA-N 475.358 6.102 50 10 JKGE Fc1cc2c(cc1Br)nc(CCl)n2-c1ccc(Br)cc1Br 97398877 GUSBTLGRGFJPGV-UHFFFAOYSA-N 497.387 6.191 50 10 JKGE Cc1ccc(Nc2ncnc(S)c2[P+](c2ccccc2)(c2ccccc2)c2ccccc2)cc1 97984555 IDLGYNKPYKFNDA-UHFFFAOYSA-O 478.581 5.437 50 10 JKGE C[C@H](Cl)c1nc2cc(Br)cnc2n1-c1cccc(I)c1 98039893 LGFLHEUZSMSIQN-QMMMGPOBSA-N 462.516 5.087 50 10 JKGE COc1cc2c(cc1N/C=C(/C#N)c1nc(-c3ccc(C)cc3C)cs1)oc1ccccc12 102420500 HDMKGGUWAXGMQO-JXAWBTAJSA-N 451.551 7.312 50 10 JKGE COc1c(Br)cc(Cl)cc1[C@@H](Br)c1ccc(Br)cc1C 109836096 MPCDUTDSZVACEU-AWEZNQCLSA-N 483.425 6.666 50 10 JKGE Cc1ccc(Br)cc1[C@H](Cl)c1cc(Br)ccc1Br 114980356 COJNNIUXSGCVRD-AWEZNQCLSA-N 453.399 6.611 50 10 JKGE Fc1cc2c(cc1I)nc(CCl)n2-c1ccc(Cl)c(Br)c1 126916397 IGOXAEWDQOXDJQ-UHFFFAOYSA-N 499.936 5.924 50 10 JKGE Clc1cc([C@H](Br)c2csc(I)c2)sc1Br 127534094 PRGDXSMPBAHUAZ-MRVPVSSYSA-N 498.430 6.314 50 10 JKGE Brc1cc([C@@H](Br)c2csc3ccccc23)sc1Br 128224259 MAEXTUUWTURTOF-LBPRGKRZSA-N 467.045 6.972 50 10 JKGE COc1cc(F)c([C@H](Br)c2cc(Br)ccc2Br)cc1OC 161101336 HWRZLDYDAMPVGL-OAHLLOKOSA-N 482.969 5.852 50 10 JKGE CCCCOc1ccc(/C=N\NC(=O)c2ccc3[nH]c(Cc4ccc(OC)cc4)nc3c2)cc1 169925543 ARSCMLCLBCKVQM-VEILYXNESA-N 456.546 5.105 50 10 JKGE COc1cc(/C=C(/C#N)c2ccc(Cl)cc2)ccc1OC(=O)COc1cc(C)c(Cl)c(C)c1 197828644 OIMSEHTXVFMGBL-NDENLUEZSA-N 482.363 6.667 50 10 JKGE ClCc1cc(Br)c(OCc2cncc(Br)c2)c(Br)c1 236020894 XYINWRVUQADZGI-UHFFFAOYSA-N 470.386 5.687 50 10 JKGE CC(C)c1ccc(C=NNC(=O)/C(=C\c2ccc(N(C)C)cc2)NC(=O)c2ccccc2Cl)cc1 252615170 JQDPBGBVNTUWHD-DWOYCIIJSA-N 489.019 5.451 50 10 JKGE COc1cc(-c2cc(C(=O)NN=Cc3c(C)[nH]c4ccccc34)[nH]n2)ccc1OCc1ccc(C)cc1 254496557 BCFHEILCQBDRIH-UHFFFAOYSA-N 493.567 5.526 50 10 JKGE O=C(NN=Cc1ccc(N2CCCCC2)cc1)Nc1ccc(C23CC4CC(CC(C4)C2)C3)cc1 254556787 OIPIVQAKJUGBGQ-UHFFFAOYSA-N 456.634 6.300 50 10 JKGE O=C(CCc1ccccc1)NN=C(c1ccc(C(F)(F)F)cc1)c1cccc(C(F)(F)F)c1 254862455 UDXXXEMCFRUWKD-UHFFFAOYSA-N 464.409 6.226 50 10 JKGE CCC(=NNC(=O)c1cc(-c2cccc(OC(C)C)c2)nc2ccccc12)c1cc(O)ccc1O 254874924 SWCLUALEOCAAJG-UHFFFAOYSA-N 469.541 5.644 50 10 JKGE COc1c(-c2nnc(CCl)o2)nn(-c2cccc(Cl)c2)c1N=Nc1ccc([N+](=O)[O-])cc1 255973764 GFNIMJBHZLTNCT-UHFFFAOYSA-N 474.264 5.647 50 10 JKGE C[C@@H](C(=O)Nc1ccc(-c2nc(CCl)cs2)cc1)N(Cc1ccccc1)Cc1ccccc1 304713965 RAYHKPKZQBOUSW-FQEVSTJZSA-N 476.045 6.578 50 10 JKGE CC[C@@H]1CCCC[C@H]1Oc1c(Br)cc(Br)cc1CBr 311967908 MMIGRQDDSGBRSW-QMTHXVAHSA-N 455.028 6.454 50 10 JKGE FC(F)(F)c1csc([C@@H](Cl)c2cc(Cl)ccc2Br)c1Br 312405651 QWJXIJNFCUPGLB-JTQLQIEISA-N 468.947 7.274 50 10 JKGE Cc1cc(C)c([C@@H](Br)c2ccc(Cl)c(Br)c2)c(C)c1Br 381923846 MMVAIXIKYKJLPG-INIZCTEOSA-N 481.453 7.275 50 10 JKGE ClC[C@H]1CN(Cc2ccccc2)C[C@H]1c1cc(Br)ccc1I 382727521 RMLRQODJELONFS-WMLDXEAASA-N 490.610 5.508 50 10 JKGE Fc1ccc(I)cc1[C@H]1CN(Cc2ccccc2)C[C@@H]1CBr 382732597 VGRQYJYJOFKHIB-YOEHRIQHSA-N 474.155 5.041 50 10 JKGE CC(C)[C@@H](CN(C)Cc1ccccc1)n1c(CCl)nc2cc(Br)c(F)cc21 397958867 CXXJKCHCBCGZTP-HXUWFJFHSA-N 452.799 6.006 50 10 JKGE Cc1cc(Br)c([C@@H](Br)c2csc3c2CCCC3)cc1Br 399866249 RPJURGNZHBPRKY-MRXNPFEDSA-N 479.075 6.945 50 10 JKGE CC(C)c1ccccc1P(CCP(c1ccccc1)c1ccccc1C(C)C)c1ccccc1 514251398 GWQTYIBTIYPNAE-UHFFFAOYSA-N 482.588 7.499 50 10 JKGE CC(C)(C)CN(CCBr)C(=O)c1cc(Br)cc(Br)c1 690955452 RANBZVOGXSSPNZ-UHFFFAOYSA-N 456.016 5.095 50 10 JKGE CO[C@@](C)(COCc1ccccc1)Cn1c(CCCl)nc2ccc(Br)cc21 705656587 IKVOQVSYAGSHTK-OAQYLSRUSA-N 451.792 5.202 50 10 JKGE C[C@@H]1CN(Cc2ccccc2)C[C@@H]1Cn1c(CCl)nc2cc(I)c(F)cc21 708571853 CKRDRKVSTTUYIA-GDBMZVCRSA-N 497.783 5.287 50 10 JKGE C[C@@H](Cl)c1nc2cc(F)c(Br)cc2n1CC(C)(C)N(C)Cc1ccccc1 714233470 QUQTYOLRYUZYRV-CQSZACIVSA-N 452.799 6.148 50 10 JKGE CC1(C)[C@@H](n2c(CCCl)nc3cc(I)ccc32)C[C@H]1OCc1ccccc1 718079055 NQNKEOYTKBMJLG-VQTJNVASSA-N 494.804 5.979 50 10 JKGE Cc1ccc(COc2ccc(Br)cc2/C=C\C(=O)Oc2ccc([N+](=O)[O-])cc2)cc1 1082441871 FBOUYRQCUPXSKZ-MLPAPPSSSA-N 468.303 5.864 50 10 JKGE O=C(NN=Cc1ccccc1OCc1ccc(I)cc1)c1cc2ccccc2o1 1083987818 JVIUKYNXMPKBEG-UHFFFAOYSA-N 496.304 5.380 50 10 JKGE Cc1cc(C)c(C(CSc2nc3ccccc3s2)=NNC(=O)c2ccccc2O)cc1C 1084288021 KBADZRXSDLLXMC-UHFFFAOYSA-N 461.612 5.854 50 10 JKGE C=CCc1cc(C=NNC(=O)CC[C@@H](O)c2ccccc2)cc(OC)c1OCc1ccc(Cl)cc1 1084435935 WBVMHUZKGACPBH-RUZDIDTESA-N 493.003 5.620 50 10 JKGE O=C(NN=Cc1cc(Br)c(Sc2ccc(Cl)cc2)o1)c1ccc(F)cc1 1084481364 CUWQWJPYLRLKGQ-UHFFFAOYSA-N 453.720 5.750 50 10 JKGE COc1ccc(NC(=O)C(=O)NN=Cc2cc(C)n(-c3ccc(Cl)cc3Cl)c2C)cc1Cl 1084579759 PVQHMUUIAJVFIK-UHFFFAOYSA-N 493.778 5.152 50 10 JKGE Cc1ccc(Cl)cc1NC(=O)/C(C#N)=C\c1ccccc1OCc1ccc(Cl)c(Cl)c1 1084637302 GXLBCFADSSBUHL-WQRHYEAKSA-N 471.771 7.080 50 10 JKGE Cc1c(C(=O)Nc2cccc3cccnc23)oc2c1C(=NNC(=O)c1ccc(Cl)cc1)CCC2 1772743455 BHRBSXWISRRJNC-UHFFFAOYSA-N 472.932 5.512 50 10 JKGE Cc1c(C(=O)NN(c2ccccc2)c2ccccc2)oc2c1C(=NNC(=O)c1ccccc1)CCC2 1772745211 VHLMZCNFRZPCHZ-UHFFFAOYSA-N 478.552 5.542 50 10 JKGE COc1ccc(-c2nn(Cc3ccccc3F)c3c2[C@@H](c2ccc(N(C)C)cc2)C(C#N)=C(N)O3)cc1 1865683061 FCFYEOAUCCAFFJ-VWLOTQADSA-N 495.558 5.030 50 10 JKGE CCCCOc1ccc([C@@H]2C(C#N)=C(N)Oc3c2c(CC)nn3Cc2c(F)cccc2Cl)cc1 1865689518 BACHNBNVCDMEOP-HSZRJFAPSA-N 480.971 5.683 50 10 JKGE CCCCCOc1ccc([C@H]2C(C#N)=C(N)Oc3c2c(CCC)nn3-c2ccccc2)cc1OCC 1865691013 HBSZPLXTQFVEDE-SANMLTNESA-N 486.616 6.011 50 10 JKGE CCCOc1ccc([C@@H]2C(C#N)=C(N)Oc3c2c(C)nn3-c2ccc(Cl)c(Cl)c2)cc1 1865692862 GIVOAGRADPPWFD-OAQYLSRUSA-N 455.345 5.495 50 10 JKGE CCCc1nn(-c2ccc(Cl)cc2)c2c1[C@H](c1ccc(OCC)c(OC)c1)C(C#N)=C(N)O2 1865696325 ZFBCBHOOSSOLTN-JOCHJYFZSA-N 464.953 5.104 50 10 JKGE COc1ccc(-c2nn(Cc3c(F)cccc3Cl)c3c2[C@@H](c2cccnc2)C(C#N)=C(N)O3)cc1 1865700113 LFJSKFGJKZCTLG-QFIPXVFZSA-N 487.922 5.013 50 10 JKGE N#CC1=C(N)Oc2c(c(-c3ccccc3)nn2Cc2cccc(Cl)c2)[C@@H]1c1ccc(F)cc1F 1865701682 BORWMEPHMRCEJA-JOCHJYFZSA-N 474.898 5.748 50 10 JKGE CCc1nn(Cc2ccc(Cl)c(Cl)c2)c2c1[C@@H](c1ccc(F)cc1F)C(C#N)=C(N)O2 1865701976 JPNQCGREMHGQBR-IBGZPJMESA-N 461.299 5.297 50 10 JKGE CCCc1nn(-c2ccccc2)c2c1[C@H](c1ccc(OCc3ccccc3C)cc1)C(C#N)=C(N)O2 1865703696 ZJXSHXYCMIFESS-HHHXNRCGSA-N 476.580 5.930 50 10 JKGE CCCc1nn(-c2ccc(Cl)cc2)c2c1[C@H](c1cc(Cl)c(O)c(OC)c1)C(C#N)=C(N)O2 1865707437 XBDTZHPIKQNNJW-LJQANCHMSA-N 471.344 5.064 50 10 JKGE CC[C@@H](NC(=O)[C@H](c1ccc(Br)cc1)C(C)C)C(=O)Nc1ccc(SC#N)cc1 1866972558 CMRSJDCZMNKLOH-UXHICEINSA-N 474.424 5.295 50 10 JKGE COc1ccc2c(c1)c(/C=C1\Oc3cc(OCc4cccc(CCl)c4)ccc3C1=O)cn2C 1871437423 XCXJORSLFFJOJI-RAWMCFOBSA-N 459.929 6.121 50 10 JKGE CC[C@H](C)[C@H](/C(O)=C(\C#N)c1nc(-c2cccc(Cl)c2)cs1)N1C(=O)c2ccccc2C1=O 1872748456 YAQRHXZJDJPWEM-RRICSCRSSA-N 477.973 5.967 50 10 JKGE COc1c(Cl)cc(Cl)cc1-c1csc(/C(C#N)=C(\O)CN2C(=O)c3ccccc3C2=O)n1 1872754428 SCMYHBLOYUZAFK-SDXDJHTJSA-N 486.336 5.214 50 10 JKGE CCOc1ccc(-c2csc(/C(C#N)=C(O)/C=C/c3ccc([N+](=O)[O-])cc3)n2)c(OCC)c1 1872755683 ZVYBHNFMMANGEO-VBTFZSHZSA-N 463.515 6.022 50 10 JKGE Clc1cscc1[C@@H](Br)c1ccc(OCc2ccccc2)cc1Br 1899866559 XGMVKCNSSOZTHK-SFHVURJKSA-N 472.629 7.227 50 10 JKGE COc1cc(C)c([C@@H](Br)c2cc(C)c(Br)s2)cc1Br 1901654698 SNPFSVLSRCHLJS-CYBMUJFWSA-N 469.036 6.383 50 10 JKGE Cc1nsc(Br)c1[C@H](Br)c1scc(C(F)(F)F)c1Br 1912974426 HJDRFUCVCCKGKM-ZETCQYMHSA-N 499.997 6.541 50 10 JKGE Cc1cccc(C(=O)N(Cc2ccccc2)C2(CCl)CCC2)c1I 1915768570 PWHBBDUUKDXUQH-UHFFFAOYSA-N 453.751 5.404 50 10 JKGE Fc1cccc(Br)c1[C@@H](Cl)c1c(Br)sc(Br)c1Cl 1923037790 FRYYYAKZLIPWSR-MRVPVSSYSA-N 497.836 7.156 50 10 JKGE Cc1ccc([C@@H](Br)c2c(Br)sc(Br)c2Cl)c(F)c1 1923039004 MGVSFMKMJASZFZ-SECBINFHSA-N 477.418 6.858 50 10 JKGE COCC1([C@@H](Br)c2c(Cl)sc(Br)c2Cl)CCCCC1 1925554268 LIBIBGUAEAHFMG-JTQLQIEISA-N 451.051 6.850 50 10 JKGE CCC[C@@H]1C[C@@H]1[C@@H](Br)c1c(Br)sc(Br)c1Cl 1992936435 QYCIQTMAMUCRJW-GKROBHDKSA-N 451.449 6.799 50 10 JKGE CCc1nc(C(=O)N(Cc2ccccc2)[C@H](CBr)C(C)C)c(Br)s1 2003567584 FUZACCZRCGQSLK-CQSZACIVSA-N 474.262 5.530 50 10 JKGE COc1sc([C@@H](Br)Cc2cccc(Br)c2)cc1Br 2034628504 FYGFDNRFJVYROT-JTQLQIEISA-N 455.009 5.960 50 10 JKGE Fc1cc(Cl)c(Br)cc1[C@@H](Br)c1cc(Cl)c(Cl)s1 2038472222 UVEDGLIHRJPMIF-SNVBAGLBSA-N 453.385 7.094 50 10 JKGE Cc1cc(Br)sc1[C@@H](Br)c1c(F)cc(Br)cc1F 2038505070 AUYJOGYXCXAWAM-NSHDSACASA-N 460.963 6.344 50 10 JKGE BrCc1cc(Br)ccc1N1CC[C@@]2(CCN(Cc3ccccc3)C2)C1 2044883730 BOLWHSTXDIWTPX-OAQYLSRUSA-N 464.245 5.446 50 10 JKGE CC1(C)CCC[C@H]([C@@H](Br)c2c(Br)sc(Br)c2Cl)C1 2049573214 GLZKSGJJMPAISL-IONNQARKSA-N 479.503 7.579 50 10 JKGE O=C(NCCCCCCCCCCBr)OCC1c2ccccc2-c2ccccc21 2060005529 KWNHIEUBZASSHW-UHFFFAOYSA-N 458.440 7.041 50 10 JKGE CC12CCC([C@H](Br)c3cc(Br)c(Br)s3)(CC1)CO2 2069712941 UNNOXQQXZONCIF-QFWMXSHPSA-N 459.041 6.058 50 10 JKGE CC(F)(F)C1([C@@H](Br)c2c(Br)sc(Br)c2Cl)CCC1 2069944548 KISWUHRUCMBNIG-ZETCQYMHSA-N 487.429 7.188 50 10 JKGE C[C@@H](Br)C[C@H]1CCCCN1Cc1ccc(Br)cc1Br 2092261128 NBKDBEDXIPPHDV-BXUZGUMPSA-N 454.044 5.740 50 10 JKGE C[C@@H](c1cscc1Br)N(C)c1cc(Br)ccc1CBr 2130022989 DXSIAEJTWBCFAF-VIFPVBQESA-N 468.052 6.365 50 10 JKGE CC1(C)C[C@@](C)(CBr)CN1Cc1c(Br)cccc1Br 2134829883 JCXMLHCVHCKMGU-HNNXBMFYSA-N 454.044 5.597 50 10 JKGE Cc1cc(Br)c(C)c([C@@H](Br)c2c(Cl)cnn2C)c1Br 2136366470 ILISFKHDLKQJKR-GFCCVEGCSA-N 471.418 5.700 50 10 JKGE Cc1cc(Br)c(C)c([C@H](Br)[C@@H]2CCC(C)(C)C2)c1Br 2136374021 IEZLGRIZEXTUCV-IAQYHMDHSA-N 453.056 7.091 50 10 JKGE CCC[C@H]1CN(C(=O)c2cc(Br)sc2Br)C[C@@H]1CBr 2140771111 NKDDJEGIBSWUBK-IUCAKERBSA-N 474.056 5.156 50 10 JKGE Cl[C@H](c1cc2c(cc1Br)OCC2)c1cccc(Br)c1Br 2148753425 RXMZBFNMZAIAPW-HNNXBMFYSA-N 481.409 6.237 50 10 JKGE COc1ccc([C@H](Cl)c2csc(Br)c2Br)c(OC)c1Cl 2150341718 JLGMGHBOLCONNL-JTQLQIEISA-N 461.002 6.272 50 10 JKGE Cn1nc(COc2c(Br)cc(Cl)cc2CCl)c(Br)c1Cl 2153005580 UMRJDHNKAVOSEC-UHFFFAOYSA-N 463.384 5.570 50 10 JKGE Brc1ccc(Br)c([C@H](Br)[C@@H]2C[C@H]3CCCCCC[C@H]32)c1 2166130420 UFMIVIZERMUWME-LSCFUAHRSA-N 465.067 7.254 50 10 JKGE CC(C)(C)OC(=O)NC1CC(C[S@@](C)(=O)=NCC2(CBr)CCCCCC2)C1 2172246502 HYSWIVSLPOTJIP-IYIBJFCGSA-N 465.498 5.123 50 10 JKGE CC[C@H]1CC[C@H](CC(CBr)(CBr)c2ccc(Br)cc2)O1 2201410457 GKWJUXQDWFHYIL-LSDHHAIUSA-N 469.055 5.824 50 10 JKGE Brc1ccc(CN2CC[C@@H]3CC[C@H](Br)C[C@@H]3C2)c(Br)c1 2204114768 SKRJFJDTCWKWMF-YUTCNCBUSA-N 466.055 5.597 50 10 JKGE CC(C)Cc1ccc([C@H](Cl)c2ccc(Br)cc2I)cc1 2207272009 LKEFPSACVGNVIM-KRWDZBQOSA-N 463.584 6.580 50 10 JKGE COCCc1ccc([C@H](Cl)c2ccc(Br)cc2I)cc1 2207273418 UWAVDQIXTAWPSL-INIZCTEOSA-N 465.556 5.571 50 10 JKGE CCCN(CCCCCI)C[C@@H]1CCCCN1C(=O)OC(C)(C)C 2214706063 YLQFAZGQGHPHEM-KRWDZBQOSA-N 452.421 5.093 50 10 JKGE Fc1cc(Br)c(Br)cc1[C@H](Br)C[C@H]1C[C@@H]1C(F)(F)F 2225616424 FWSYQLCZLOQLTK-MHSYXAOVSA-N 468.908 6.375 50 10 JKGE COc1c(Br)cc(C)cc1[C@H](Br)c1sc(C)cc1Br 2229318097 PXYGFYBOFLOWRT-LBPRGKRZSA-N 469.036 6.383 50 10 JKGE Clc1cc(Cl)cc([C@H](Br)c2c(Br)cc(Cl)c(Cl)c2Cl)c1 2232514875 XKTMQJGFGZYCQR-NSHDSACASA-N 498.256 8.200 50 10 JKGE COCc1cc(Br)c([C@H](Br)c2ccc(OC)cc2Br)s1 2240820996 AJQIOTIQZCFCHG-CYBMUJFWSA-N 485.035 5.912 50 10 JKGE CN(C[C@@H](Br)COCc1ccccc1)C(=O)c1cc(F)c(Br)cc1Cl 2256019136 WRCHFBOTRWNKTD-CYBMUJFWSA-N 493.598 5.294 50 10 JKGE Cc1cc(Br)c([C@H](Br)c2cc(Br)c(F)cc2C)s1 2258092049 QLMHGAVMGNRCJS-GFCCVEGCSA-N 457.000 6.513 50 10 JKGE CC(C)CN(C[C@@H](C)Br)C(=O)c1csc(Br)c1Br 2259776102 BKGCVNBPLVIPNL-MRVPVSSYSA-N 462.045 5.155 50 10 JKGE ClCc1cc(Br)cnc1Oc1cc(I)ccc1Cl 2259960924 RZUMZLDBTQICSJ-UHFFFAOYSA-N 458.908 5.633 50 10 JKGE COc1ccc([C@@H](Br)c2c(F)cccc2I)cc1Cl 2267657876 CXWZRTHYZNFZRT-CQSZACIVSA-N 455.492 5.577 50 10 JKGE CC1(C)C[C@@H]1CC[C@H](Br)c1c(F)cc(Br)c(F)c1Br 2272855269 LEVAPGFGOQDQOG-YUMQZZPRSA-N 460.982 6.752 50 10 JKGE COc1cc(OC)c([C@H](Br)c2scc(Br)c2Cl)cc1Cl 2279288674 VBAKBPFWKNILPO-NSHDSACASA-N 461.002 6.319 50 10 JKGE Fc1cc(Br)ccc1CO[C@@H](CI)c1cccc(Cl)c1 2281412849 ACSXQDKTRHYBOZ-HNNXBMFYSA-N 469.519 5.935 50 10 JKGE COc1c([C@H](Br)c2cscc2Br)cc(Br)c2c1CCC2 2284594640 MFBYGQXGNPPNIZ-AWEZNQCLSA-N 481.047 6.255 50 10 JKGE COc1ccc(Br)c2c1nc([C@H](C)Cl)n2CCCN(C)Cc1ccccc1 2286084313 DYXRSSVZVVDGEQ-HNNXBMFYSA-N 450.808 5.629 50 10 JKGE Cc1cccc(OCCOc2c(Cl)cc(Cl)cc2C=C(C#N)C(=O)Nc2ccccc2C)c1 2293332593 GSUMFFZAKOHQSL-UHFFFAOYSA-N 481.379 6.614 50 10 JKGE CCOc1cc(C=C(C#N)c2ccc([N+](=O)[O-])cc2)ccc1OCCOc1ccc([C@H](C)CC)cc1 2294732829 YPDZUXGTNGETKQ-OAQYLSRUSA-N 486.568 7.029 50 10 JKGE Fc1ccc(Cl)c(F)c1[C@H](Br)Cc1cc(Br)cc(Br)c1 2295332417 WRHAVQSOBZLFKX-SNVBAGLBSA-N 489.379 6.822 50 10 JKGE COc1cc(C=C(C#N)C(=O)Nc2cc(Cl)cc(Cl)c2)ccc1OCc1ccccc1Cl 2295459749 UJWDUWIPHZYJQT-UHFFFAOYSA-N 487.770 6.780 50 10 JKGE Cc1cc(C=C(C#N)C(=O)N2CCn3c2nc2ccccc23)c(C)n1-c1ccc(Br)cc1 2297382414 JKHBVYJVNBBXIQ-UHFFFAOYSA-N 486.373 5.160 50 10 JKGE Cn1ncc(Br)c1[C@@H](Cl)c1cc(Br)ccc1OCc1ccccc1 2299500834 JDRPSSKJSOOXQM-KRWDZBQOSA-N 470.592 5.852 50 10 JKGE C[C@@H]1C[C@H]([C@@H](Br)c2ccc(OCc3ccccc3)cc2Br)[C@@H](C)O1 2299503370 FBBLMKWURMXVHL-ZLFYYGENSA-N 454.202 6.278 50 10 JKGE CC1(C)C[C@@H]([C@@H](Br)c2ccc(OCc3ccccc3)cc2Br)CO1 2299529360 AYHORTRADMFZKC-DNVCBOLYSA-N 454.202 6.279 50 10 JKGE Cc1c(Cl)sc(Cl)c1[C@@H](Cl)c1scc(Br)c1Br 2299544534 GBCCPXAEODCEGP-SSDOTTSWSA-N 455.451 7.278 50 10 JKGE C[C@@H]1CC[C@H](Cc2ccc(I)c(Br)c2)[C@@H](Br)C1 2306198599 CSKUBUPAMPNMBB-JLLWLGSASA-N 472.002 5.796 50 10 JKGE COc1cc(C=C(C#N)C(=O)Nc2ccccc2C)cc(Br)c1OCc1ccc(C)cc1 2313518117 KEMFEAOYEZJRNF-UHFFFAOYSA-N 491.385 6.199 50 10 JKGE Cc1ccc(NC(=O)C(C#N)=Cc2cc(Br)ccc2OCc2ccccc2C#N)cc1 2313571100 NILNKCJSCDCSHM-UHFFFAOYSA-N 472.342 5.754 50 10 JKGE CCc1ccccc1NC(=O)C(C#N)=Cc1ccccc1OCc1ccc(Cl)cc1Cl 2313675838 WOJJZJHACSZJOG-UHFFFAOYSA-N 451.353 6.680 50 10 JKGE COC(=O)c1c(NC(=O)C(C#N)=Cc2ccc(-c3ccccc3[N+](=O)[O-])o2)sc2c1CCCC2 2314571313 DESYHAGFTRJWEA-UHFFFAOYSA-N 477.498 5.127 50 10 JKGE C=CCNC(=O)C(C#N)=C1S[C@H](Cc2cccc(Cl)c2Cl)C(=O)N1c1ccc(C)c(C)c1 2314593901 VUPQKJXORQOMEI-HXUWFJFHSA-N 486.424 5.339 50 10 JKGE COc1ccc(C=CC(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@@H]3c2c(F)cccc2Cl)cc1 2314634414 PFJWUFGPOIJSBL-XMMPIXPASA-N 476.891 5.325 50 10 JKGE Cc1cc(Br)c(F)c(Br)c1[C@H](Br)[C@@]1(C)CC1(F)F 2317422052 GVXLKNCCYKWVAS-WDEREUQCSA-N 450.918 6.140 50 10 JKGE Cc1cc(OCc2ccc(CCl)cc2)cc2c1C(=O)C(=Cc1ccccc1Br)O2 2325339585 KMUKKGHXGASHHY-UHFFFAOYSA-N 469.762 6.692 50 10 JKGE COc1ccc(C=C2Oc3cc(OCc4cccc(CCl)c4)cc(C)c3C2=O)cc1OC 2325361180 ZIJIQUGPYCTGGK-UHFFFAOYSA-N 450.918 5.946 50 10 JKGE N#CC(=C(O)c1c(Cl)ccc(Cl)c1Cl)c1nc(-c2ccc3c(c2)CCCC3)cs1 2331240178 CSWARFQJLNKVAA-UHFFFAOYSA-N 461.801 7.599 50 10 JKGE COc1ccccc1-c1csc(C(C#N)=C(O)Cc2ccc(OCc3ccccc3)cc2)n1 2331281861 ZNDHABURFLSIBY-UHFFFAOYSA-N 454.551 6.433 50 10 JKGE CCCCc1ccc(N2C[C@@H](C(O)=C(C#N)c3nc(-c4ccc(C)cc4C)cs3)CC2=O)cc1 2331310731 BXOIELDMEBTPQI-NRFANRHFSA-N 471.626 6.615 50 10 JKGE Cc1cc(OCC(O)=C(C#N)c2nc(-c3ccc(Cl)c(Cl)c3)cs2)ccc1Cl 2331311614 CYJHOMQTVJFHKK-UHFFFAOYSA-N 451.762 6.950 50 10 JKGE Cc1ccc(-c2csc(C(C#N)=C(O)[C@H](C)Oc3ccc(Cl)cc3Br)n2)cc1 2331312538 IUUSYJDLPVNFCD-ZDUSSCGKSA-N 475.795 6.795 50 10 JKGE COc1cc(OC)c(-c2csc(C(C#N)=C(O)C=Cc3ccc(C(C)C)cc3)n2)cc1Cl 2331378738 WTOZIIHHRPNWHM-UHFFFAOYSA-N 466.990 7.110 50 10 JKGE Cc1cc(C)c(-c2csc(C(C#N)=C(O)CCCOc3cc(C)c(Cl)c(C)c3)n2)c(C)c1 2331393994 QRFWVSIBOYPPNH-UHFFFAOYSA-N 467.034 7.657 50 10 JKGE CCOc1cc(C=C(C#N)c2nc(-c3ccc(C)cc3)cs2)ccc1OCc1ccccc1C 2331445059 BFUCMQYVLCPVAX-UHFFFAOYSA-N 466.606 7.469 50 10 JKGE COc1c(C)cc(Cl)cc1-c1csc(C(C#N)=Cc2cccc(OCc3ccccc3)c2)n1 2331474620 WNKINKMABOQMQR-UHFFFAOYSA-N 472.997 7.424 50 10 JKGE Clc1c(Br)sc(Br)c1[C@@H](Br)[C@@H]1OC[C@@H]2CCCC[C@@H]21 2333520743 PLYPZFXDFCVNMB-RHXIMWGOSA-N 493.486 6.568 50 10 JKGE Fc1cc(Cl)c([C@@H](Cl)c2ccc(OCc3ccccc3)cc2Br)cc1F 2336040825 IZWXHHLMVICPOJ-FQEVSTJZSA-N 458.129 7.288 50 10 JKGE CC1(C)CC(C)([C@H](Br)c2c(Cl)cc(Br)c(F)c2Br)C1 2337082053 HDSUHQRDMWQZBP-GFCCVEGCSA-N 477.437 7.266 50 10 JKGE C[C@H]1Cc2cc([C@@H](Br)c3cnsc3Br)cc(Br)c2O1 2337306072 OPGUWHVOPSDKEZ-UPONEAKYSA-N 468.008 5.476 50 10 JKGE Clc1cc(I)c([C@H](Br)[C@@H]2CC3(CCCCC3)CO2)s1 2338779664 XZPWJUPPFQAXOA-CMPLNLGQSA-N 475.617 6.182 50 10 JKGE Cc1cc(Br)c(F)c(Br)c1[C@H](Br)[C@@H]1CCC(F)(F)C1 2339657988 DIMRXEDDODEOMI-GMSGAONNSA-N 464.945 6.531 50 10 JKGE Cc1c(F)ccc([C@@H](Br)c2ccc(Cl)cc2I)c1C 2340064670 HFTFOZJDIZXNHM-OAHLLOKOSA-N 453.520 6.185 50 10 JKGE COC[C@@H]1CC[C@H](Cc2ccc(Cl)cc2I)C[C@@H]1Br 2341047088 QOKDBXSVKLCXJW-OSMZGAPFSA-N 457.577 5.313 50 10 JKGE Fc1ccc(OCc2cccc(I)c2)c(CBr)c1Cl 2341791677 AVDWGYPBYCKMEI-UHFFFAOYSA-N 455.492 5.558 50 10 JKGE COc1c(Br)cc(C)cc1[C@H](Br)c1csc(C)c1Br 2343560718 AJQFIMYJCZSXOR-ZDUSSCGKSA-N 469.036 6.383 50 10 JKGE Cc1scc([C@@H](Br)c2cc(Br)c3c(c2)CCO3)c1Br 2343561172 DXEZZSMAOFHEHO-ZDUSSCGKSA-N 467.020 6.001 50 10 JKGE Clc1ccc(I)cc1CNC1(CCBr)CCSCC1 2352422966 BFOSZVSVWAMECL-UHFFFAOYSA-N 474.633 5.085 50 10 JKGE Cc1c(Br)cccc1[C@@H](Cl)c1c(F)cc(Cl)c(Br)c1Cl 2360430595 ZPUOMUKRKFLFFI-CYBMUJFWSA-N 461.383 7.294 50 10 JKGE CC(C)C[C@@H](C(C)C)[C@H](Br)c1c(Cl)cc(Br)c(F)c1Br 2362248948 VIWVRJOUISEUBC-ZANVPECISA-N 493.480 7.758 50 10 JKGE COc1c(Br)cc(C)cc1C[C@@H](Br)c1ccc(Br)cc1 2365217788 HNSSJNRQUWESGY-CQSZACIVSA-N 463.007 6.207 50 10 JKGE FC(F)(F)[C@@H]1[C@H](Br)CCCN1Cc1cc(Br)ccc1Br 2370294051 HGCMHIWFBAJPBS-NEPJUHHUSA-N 479.960 5.502 50 10 JKGE Cc1cc(Cl)c([C@@H](Cl)Cc2cc(Br)cc(Br)c2)c(Cl)c1 2381259188 AFZOOZUTZDPBIP-AWEZNQCLSA-N 457.420 7.349 50 10 JKGE CCSc1sccc1[C@H]1C(C#N)=C(N)N(c2cccc(Cl)c2)C2=C1C(=O)CC(C)(C)C2 9981566 DBWOJFBBWFIYIK-FQEVSTJZSA-N 470.063 6.454 50 10 JKGE O=C(COc1ccc2cc(Br)ccc2c1Br)NN=C(C1CC1)C1CC1 12491521 HUAVYSUZJNLBFT-UHFFFAOYSA-N 466.173 5.036 50 10 JKGE N#C/C(=C/c1cc2cc(Br)ccc2nc1Cl)c1nc(-c2ccccc2)cs1 33391451 DKCOXVOMZHMPLS-SXGWCWSVSA-N 452.764 6.838 50 10 JKGE C[C@@H](c1ccccc1)N(Cc1cc(NC(=O)C(C)(C)CCl)ccc1N(C)C)C(=O)C(C)(C)C 34921577 CIGARKDVKMOGLD-IBGZPJMESA-N 472.073 6.092 50 10 JKGE CCOCCCN1C(=O)C(C#N)=C(C)/C(=C\c2ccc(-c3cc(Cl)ccc3Cl)o2)C1=O 38606562 HIDUONUDGZZBTR-SFQUDFHCSA-N 459.329 5.272 50 10 JKGE C=CCOc1ccc(C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@H]3c2ccccc2Cl)cc1 38651040 UPORDPMUXPYYMA-DEOSSOPVSA-N 458.901 5.342 50 10 JKGE CC(C)COc1ccc(C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@@H]3c2ccccc2Cl)cc1 38651049 MEDYBNIUHNGMBC-RUZDIDTESA-N 474.944 5.812 50 10 JKGE C=CCOc1ccc(C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@H]3c2cccc(Cl)c2)cc1 38651204 QLXCPBDVGOEJPI-DEOSSOPVSA-N 458.901 5.342 50 10 JKGE COc1ccc(CC(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@H]3c2c(Cl)cccc2Cl)cc1 38680073 HAMXIKHMMKZLGG-QHCPKHFHSA-N 481.335 5.368 50 10 JKGE CCCOc1ccccc1[C@H]1C(C#N)=C(N)Oc2cc(OC(=O)[C@@H](C)Oc3ccc(CC)cc3)ccc21 38681794 ILRGZLIDJASHOS-WHLCRQNOSA-N 498.579 5.629 50 10 JKGE CCc1ccc(O[C@@H](C)C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@H]3c2ccc(SC)cc2)cc1 38682558 QUJONRUBTIQAMW-QLXKLKPCSA-N 486.593 5.562 50 10 JKGE CCOc1cccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4cccc5ccccc45)ccc32)c1 38684934 RTRJSIHDUBTAKL-MHZLTWQESA-N 462.505 5.676 50 10 JKGE CCN(C(=O)c1oc2c(c1C)/C(=N/NC(=O)Cc1coc3cc(C)cc(C)c13)CCC2)c1ccccc1 40826998 DDSJATBLKGTKLU-UQRQXUALSA-N 497.595 6.017 50 10 JKGE O=C(CSc1nnc(-c2ccccc2)s1)N/N=C/c1ccc(OCc2ccccc2)cc1 40947712 GNHBOASTLJWHFL-MFKUBSTISA-N 460.584 5.027 50 10 JKGE CCc1cc([N+](=O)[O-])ccc1-c1ccc(/C=C(\C#N)C(=O)Nc2ccc(Br)cc2C)o1 58833191 FTBAAHAQOYIAAU-FOWTUZBSSA-N 480.318 6.034 50 10 JKGE O=C(N/N=C/c1c(O)ccc2ccccc12)/C(=C/c1cccs1)NC(=O)c1ccccc1Cl 97385333 HBKJSGCWJDEUIZ-PNSDLSCPSA-N 475.957 5.182 50 10 JKGE CC1CCC(NC(=O)[C@@H](c2ccc(Cl)cc2)N(CCC2=CCCCC2)C(=O)CCl)CC1 97914749 VXHVZIVVBPFRPL-RSMZPQPPSA-N 465.465 6.034 50 10 JKGE CC1=C(C#N)C(=O)N([C@@H](C)c2ccccc2)C(=O)/C1=C/Nc1ccc(/N=N/c2ccccc2)cc1 101233683 WLTUGLLINNVMEC-JJOVOHNSSA-N 461.525 6.368 50 10 JKGE COc1cc(Cl)c([C@H](Br)c2ccc(Br)c(Cl)c2)cc1OC 129172327 XBEQDZCNTWXLGD-OAHLLOKOSA-N 454.973 6.257 50 10 JKGE Brc1cccc([C@H](Br)c2csc3c(Br)cccc23)c1 163399861 RJCUTPXBISENQB-AWEZNQCLSA-N 461.016 6.911 50 10 JKGE CCOC(=O)/C(C#N)=C/c1cccc(OC(=O)/C=C\c2ccc(OCc3ccccc3)cc2)c1 206690294 DRFWTVBYPUYCJR-RMFWUFRJSA-N 453.494 5.354 50 10 JKGE Cc1sc([C@H](Br)c2cccc(I)c2)cc1Br 227832539 MRRMMUQFSDGZGO-GFCCVEGCSA-N 471.983 5.908 50 10 JKGE Cc1cc(F)c([C@H](Br)c2cc(Br)sc2Br)cc1F 235923559 BXTFKYKKCRKPHV-NSHDSACASA-N 460.963 6.344 50 10 JKGE Cc1cccc(NCCCC(=O)N/N=C(\Cc2ccccc2)c2ccc(-c3ccccc3)cc2)c1 253577949 XRUXKYNANCUMBU-KKYHWDRJSA-N 461.609 6.617 50 10 JKGE O=C(NN=Cc1cn(Cc2cccc3ccccc23)c2ccccc12)c1cccc(C(F)(F)F)c1 254498193 PETYVJUWBGGZEH-UHFFFAOYSA-N 471.482 6.626 50 10 JKGE CC(=NNC(=O)c1ccoc1C)c1cccc(NC(=O)[C@@H](C)Oc2ccc(Cl)cc2C)c1 254713370 BRTGKNIVVRXRIO-QGZVFWFLSA-N 453.926 5.110 50 10 JKGE CCCCOc1ccc(OCC(=O)NN=Cc2ccc(OC(=O)/C=C\c3ccccc3)cc2)cc1 254737187 VKNHPUOMNBZRKG-WTVZBTEISA-N 472.541 5.013 50 10 JKGE O=C(Cn1c2ccccc2c(=O)c2ccccc21)NN=Cc1ccc(-c2ccc(Cl)c(Cl)c2)o1 254828253 JCCISLCQAMYMMG-UHFFFAOYSA-N 490.346 5.872 50 10 JKGE FC(F)(F)c1csc([C@H](Br)c2ccc(Br)o2)c1Br 310763453 ZOSVNXVANCHVLL-MRVPVSSYSA-N 468.914 6.369 50 10 JKGE CC1(C)C[C@H](Br)CCN(C(=O)c2cc(Br)cc(Br)c2)C1 395350280 RJRPNFTWZBKRAB-LLVKDONJSA-N 468.027 5.237 50 10 JKGE Cc1cc([C@@H](Br)c2cc(Cl)c(Cl)c(Cl)c2Cl)sc1Br 404877996 QFBLIHTXQIGWSO-QMMMGPOBSA-N 483.867 7.917 50 10 JKGE C[C@H](c1ccccc1)N1CCCO[P@@]1(=O)N(CCCl)CCO[Si](C)(C)C(C)(C)C 504627057 NHGIEBZSYGSGFI-GDJIYFAZSA-N 461.059 6.141 50 10 JKGE in-vitro CC(C)(C)OC(=O)NCCN1CCOC[C@H]1c1ccccc1CCO[Si](C)(C)C(C)(C)C 616601369 BTKHGWQCOOSQRM-QFIPXVFZSA-N 464.723 5.149 50 10 JKGE CC(C)(C)OC(=O)NCCN1CC[C@@H](c2ccccc2CO[Si](C)(C)C(C)(C)C)c2ccccc21 616673814 FGGHFWOEJSRPGU-DEOSSOPVSA-N 496.768 7.075 50 10 JKGE CC(C)(C)[Si](C)(C)OC[C@@H](Cn1cc([N+](=O)[O-])nc1Cl)OC(=O)/C=C/c1ccccc1 888086457 SAVWMKGEJFECES-FMQWLBJXSA-N 466.010 5.092 50 10 JKGE Cc1cc(C=NNC(=O)c2ccc(CSc3ccccc3)cc2)c(C)n1-c1ccccc1F 1084085109 ZRXASLWSHBEFBX-UHFFFAOYSA-N 457.574 6.289 50 10 JKGE COc1cccc(/C=C(/C#N)C(=O)Nc2ccc(Cl)cc2)c1OCc1ccc(Cl)cc1Cl 1084258733 OMDBFQZCDOGMGJ-BOPFTXTBSA-N 487.770 6.780 50 10 JKGE CC(C)c1ccc(OCC(=O)NN=Cc2cccc(Oc3ccccc3)c2)c(Br)c1 1084358563 OJOWNXOCQXDPPA-UHFFFAOYSA-N 467.363 5.894 50 10 JKGE COc1ccc(Cl)cc1NC(=O)c1oc2c(c1C)C(=NNC(=O)c1ccc(Cl)cc1)CCC2 1772744018 PQLHNXWFXCFLMV-UHFFFAOYSA-N 486.355 5.626 50 10 JKGE Cc1c(C(=O)Nc2ccc(F)cc2)oc2c1C(=NNC(=O)c1ccccc1Br)CCC2 1772744515 VVLVDNSMQPBQAH-UHFFFAOYSA-N 484.325 5.212 50 10 JKGE N#C/C(=C\c1ccccc1)C(=O)N1CCC2(C=Cc3ccc(OCc4ccccc4)cc3O2)CC1 1859495574 GIMOGOFZUHJPAT-LGUFXXKBSA-N 462.549 5.640 50 10 JKGE COc1ccc(-c2nn(Cc3cc(C)ccc3C)c3c2[C@@H](c2cccc(Cl)c2)C(C#N)=C(N)O3)cc1 1865684295 VYIHGDUJXWEHMD-VWLOTQADSA-N 496.998 6.095 50 10 JKGE N#CC1=C(N)Oc2c(c(-c3ccccc3)nn2Cc2ccc(Cl)c(Cl)c2)[C@@H]1c1ccco1 1865697758 BAHAUUVMWTWKMW-FQEVSTJZSA-N 463.324 5.716 50 10 JKGE CCN(CC)c1ccc([C@@H]2C(C#N)=C(N)Oc3c2c(-c2ccccc2)nn3-c2cccc(Cl)c2)cc1 1865701858 GWNGLKMGAAIYCE-RUZDIDTESA-N 496.014 6.257 50 10 JKGE Cc1nn(-c2ccc(Cl)cc2)c2c1[C@H](c1ccc(OC(=O)c3ccccc3)cc1)C(C#N)=C(N)O2 1865705321 SBPDQMYWRQYEOL-XMMPIXPASA-N 482.927 5.272 50 10 JKGE CCc1ccc([C@@H]2C(C#N)=C(N)Oc3c2c(-c2ccc(OC)cc2)nn3Cc2cc(C)ccc2C)cc1 1865709492 WHUWIAPUCZQMHW-HHHXNRCGSA-N 490.607 6.004 50 10 JKGE CC(C)(C)c1nc(Nc2ccc(SC#N)cc2)cc(N2CCC[C@H]2C(=O)NCc2ccccc2)n1 1868342274 PXVRKJCXRJZDPZ-QFIPXVFZSA-N 486.645 5.376 50 10 JKGE CCCCOc1ccc(/C(O)=C(\C#N)c2nc(-c3cccc4ccccc34)cs2)cc1OCC 1872751890 GQLGHALFOSVJBZ-VYIQYICTSA-N 470.594 7.491 50 10 JKGE CCOc1ccc(CC/C(O)=C(\C#N)c2nc(-c3cccc4ccccc34)cs2)cc1OC 1872752183 QRHANSXUOYPLFT-GYHWCHFESA-N 456.567 6.796 50 10 JKGE CCOc1ccc(-c2csc(/C(C#N)=C(\O)c3cc([N+](=O)[O-])cc([N+](=O)[O-])c3C)n2)c(OCC)c1 1872755601 WCCPJPJVFCFCET-PYCFMQQDSA-N 496.501 5.682 50 10 JKGE N#C/C(=C\c1ccccc1OCc1ccc(Cl)cc1)c1nc(-c2ccc([N+](=O)[O-])cc2)cs1 1872784461 MZPUKBFZRNZVMX-DEDYPNTBSA-N 473.941 7.015 50 10 JKGE CCCOc1ccc(-c2csc(/C(C#N)=C/c3cccc(OC)c3O)n2)cc1OCCC 1872789958 APBPVZCNQNXNNF-CPNJWEJPSA-N 450.560 6.166 50 10 JKGE Cc1scc([C@@H](Cl)c2cc(Br)c(Br)s2)c1Br 1902872317 MGXYNPFVHMNGFD-SECBINFHSA-N 465.457 6.734 50 10 JKGE O=C1c2ccccc2C(=O)N1CCCc1nccn1CCCCCCCCCBr 1913024342 CHYMGYUONJMKMG-UHFFFAOYSA-N 460.416 5.238 50 10 JKGE Clc1ccc(I)c(C[C@H]2CCCCCCCC[C@H]2Br)c1 1913396013 PXGJVBBKWPDCTA-CZUORRHYSA-N 469.632 7.001 50 10 JKGE Brc1cc(Br)c([C@H](Br)[C@@H]2CCC[C@@H]3CCCC[C@@H]32)s1 1922882237 LHYXPSWBEIDRSV-KZWBYHQPSA-N 471.096 7.316 50 10 JKGE COc1ccc(Br)cc1[C@H](Cl)c1sc(Br)cc1Br 1922954218 LXDWWOCEGWTJSK-NSHDSACASA-N 475.427 6.372 50 10 JKGE C[C@@H]1CCO[C@@H]1[C@@H](Br)c1c(Br)sc(Br)c1Cl 1923073667 ZFGZLGKVDLJCEC-YFEGFQIRSA-N 453.421 5.788 50 10 JKGE C[C@@H](c1ccncc1Br)[C@H](Br)c1csc(I)c1 1924024064 WPPJMMKLKNVWOC-MADCSZMMSA-N 486.998 5.750 50 10 JKGE C[C@@H]1CC[C@H]([C@@H](Br)c2c(Br)sc(Br)c2Br)C1 1924570727 MHNMXJKLDYVSRC-GKROBHDKSA-N 495.900 6.908 50 10 JKGE Brc1sc(Br)c([C@H](Br)C2[C@H]3COC[C@H]23)c1Br 1924604867 JJVRNNLKAHMOLX-VJJSXZLQSA-N 495.856 5.364 50 10 JKGE CC(C)(CC(F)(F)F)[C@@H](Cl)c1c(Br)sc(Br)c1Br 1924617080 XLDHOWNKKQYUHJ-LURJTMIESA-N 493.408 7.294 50 10 JKGE CC(C)(C)OC(=O)NCCSSCCNc1cc(Br)c(Cl)cc1N 2010826187 XZBIOZXONLSWGN-UHFFFAOYSA-N 456.859 5.003 50 10 JKGE Cc1nn(C)c(Br)c1[C@@H](Br)c1cc(Cl)c(Br)s1 2013201354 CJVFLLDLSAKUTB-QMMMGPOBSA-N 463.420 5.453 50 10 JKGE Clc1c(Br)sc(Br)c1[C@H](Br)[C@H]1[C@H]2[C@H]3C[C@@H]1C[C@H]32 2016553135 RCRKZVNJFWGRKM-YPOPKZJDSA-N 461.444 6.265 50 10 JKGE COC1(C[C@@H](Br)c2sc(Br)c(C)c2Br)CCCC1 2049789569 YIHRASQDBBOYGJ-SECBINFHSA-N 461.057 6.367 50 10 JKGE CN(C[C@@H]1CCN(Cc2ccccc2)C1)c1cc(Br)cc(F)c1CBr 2051131355 JOLKHZWELGZGNA-INIZCTEOSA-N 470.224 5.441 50 10 JKGE Fc1cc(Br)c([C@@H](Cl)c2sccc2I)c(F)c1Cl 2081842716 DZJPDUPCMODPCP-SECBINFHSA-N 483.930 6.375 50 10 JKGE Cc1sc(Br)c([C@@H](Br)c2cccc(F)c2Br)c1C 2082885628 ROLAFHLFVAOSOV-LBPRGKRZSA-N 457.000 6.513 50 10 JKGE O=C(NC[C@@H]1CCCC[C@H]1CBr)c1csc(Br)c1Br 2093944847 QLKDONZAAFKBNB-IUCAKERBSA-N 474.056 5.204 50 10 JKGE Cc1cc(Br)c([C@H](Br)[C@]23COC[C@@H]2C3(F)F)cc1Br 2105468769 JTBUHFJQADUTPX-SRVKXCTJSA-N 460.938 5.238 50 10 JKGE Cl[C@@H](c1c(Br)sc(Br)c1Br)[C@H]1CCn2ncnc2C1 2108969502 ONTMXJTZDTVTCK-SSDLBLMSSA-N 490.446 5.170 50 10 JKGE BrCc1cc(Br)c(O[C@@H]2[C@H]3CCCCC[C@H]32)c(Br)c1 2111898155 LPNCJBYLIYZSCG-YABSGUDNSA-N 453.012 6.064 50 10 JKGE CCCCO[C@@H]1[C@H](Br)C[C@H]1Oc1ccc(Br)cc1Br 2118395897 VPDVKSGCJAFHMK-MRVWCRGKSA-N 457.000 5.312 50 10 JKGE CO[C@@H]1C[C@H]([C@@H](Br)c2c(Br)sc(Br)c2Cl)C12CCC2 2133849657 XXWAOVDWHTVFFK-ZXFLCMHBSA-N 493.486 6.568 50 10 JKGE Cc1cc(F)c(Cl)cc1[C@@H](Cl)c1ccc(I)c(Br)c1 2137064086 HPMKLAFZSOAPPS-AWEZNQCLSA-N 473.938 6.483 50 10 JKGE COc1cc(Cl)c([C@H](Br)c2c(C)nsc2Br)cc1Br 2137663047 RKUKNZGFSBAEMU-NSHDSACASA-N 490.442 6.123 50 10 JKGE O=[N+]([O-])c1cc(Br)c(Oc2cccnc2CBr)c(Br)c1 2146048471 XEZVIAKHYLHGFI-UHFFFAOYSA-N 466.911 5.202 50 10 JKGE O=[N+]([O-])c1cc(Oc2cc(Br)ccc2CBr)ccc1Br 2146408908 PPNCNFSYRCOPLM-UHFFFAOYSA-N 465.923 5.807 50 10 JKGE CC1(C)C[C@@H](n2c(CCl)nc3cc(Br)c(F)cc32)[C@@H]1OCc1ccccc1 2156379366 YAPYKXZPLJHPOB-QUCCMNQESA-N 451.767 6.233 50 10 JKGE Clc1ccc(I)c(CN2CCC[C@@]3(CBr)CCC[C@@H]23)c1 2165253101 WQQGFRZKMUPXOE-HZPDHXFCSA-N 468.604 5.474 50 10 JKGE Cc1c(Cl)cc([C@H](Cl)c2cc(C3CC3)c(Br)s2)cc1Br 2167384475 OHQLIVLWOOJRCS-AWEZNQCLSA-N 455.042 7.441 50 10 JKGE ClCc1nc2cc(Cl)c(Br)cc2n1C[C@@H]1CCCN(Cc2ccccc2)C1 2169015072 HTTDSWLOZPBGQA-MRXNPFEDSA-N 467.238 6.103 50 10 JKGE CCc1nc([C@@H](Br)c2cc(Br)cc3c2OCC3)c(Br)s1 2169487469 GGILXQCPRQBBLC-NSHDSACASA-N 482.035 5.650 50 10 JKGE CC1(C)C[C@@H](CBr)CN(C(=O)c2cccc(Br)c2Br)C1 2172576441 AHGNRXQOSXTLNY-JTQLQIEISA-N 468.027 5.095 50 10 JKGE Cc1cc(Br)c(CBr)c(Oc2ccc(Br)cc2C#N)c1 2173450153 NXJZDVICAQZJGF-UHFFFAOYSA-N 459.963 6.079 50 10 JKGE Fc1cc(Br)ccc1[C@@H](Br)c1c(Br)cc(F)c(Cl)c1F 2201618694 KHOGMFSKUDPEQO-LLVKDONJSA-N 493.342 6.767 50 10 JKGE COc1ccc([C@@H](Cl)c2ccc(I)c(Cl)c2)c(Cl)c1Cl 2203447805 MXAWVVGCFXPMCP-LBPRGKRZSA-N 461.941 6.588 50 10 JKGE Cl[C@@H](Cc1sc(Br)c(Br)c1Br)C[C@H]1CCCO1 2216421638 RXCNBZFHBSRWPP-RNFRBKRXSA-N 467.448 5.755 50 10 JKGE C[C@@H](Cl)c1nc2cc(Br)c(Br)cc2n1C[C@@H](C)N(C)Cc1ccccc1 2225685979 IRZKZZDIGWCKHK-ZIAGYGMSSA-N 499.678 6.382 50 10 JKGE Clc1cc(Cl)cc(C[C@@H](Br)c2c(Cl)sc(Br)c2Cl)c1 2232159897 CPMBTRXSTOSHHW-MRVPVSSYSA-N 483.867 7.803 50 10 JKGE Clc1cc(CN2CC[C@H]3[C@H](CCC[C@H]3Br)C2)ccc1I 2233836441 KZUZTPVPUOCCLM-HZSPNIEDSA-N 468.604 5.330 50 10 JKGE Cc1cc(Br)c([C@H](Br)[C@@H]2C[C@H]3O[C@H]2[C@H]2C[C@H]23)c(C)c1Br 2235613772 AYRGRBZMZIZLOH-PIMFOBKBSA-N 465.023 5.688 50 10 JKGE Fc1cc(F)c([C@H](Cl)Cc2ccccc2I)c(F)c1Br 2236117370 KLGKPUAQOJICIA-MRVPVSSYSA-N 475.473 5.994 50 10 JKGE Clc1ccc(Br)c([C@@H](Br)c2ccc3c(c2Br)CCO3)c1 2238082878 SMVWVRZQTBCZJO-HNNXBMFYSA-N 481.409 6.284 50 10 JKGE O=[N+]([O-])c1c(Br)cccc1Oc1ccc(CBr)c(Br)c1 2240742941 YIWMOONPXFAVJD-UHFFFAOYSA-N 465.923 5.807 50 10 JKGE Cn1cc(Br)c([C@@H](Cl)Cc2cc(Br)cc(Br)c2)n1 2263513338 MSEUZXPCGMUZAI-NSHDSACASA-N 457.391 5.230 50 10 JKGE FC1(F)C[C@H]([C@@H](Cl)c2c(Br)sc(Br)c2Br)C12CCC2 2266144448 YZPXOJFIYDJSII-SVGQVSJJSA-N 499.440 7.141 50 10 JKGE Fc1cc([C@H](Cl)c2cc(Br)ccc2Br)c(Cl)cc1Br 2267747596 XRJJSEPHZCFEFN-CYBMUJFWSA-N 491.807 7.095 50 10 JKGE CC(C)(F)[C@](C)(F)[C@H](Br)c1c(F)cc(Br)c(F)c1Br 2272726038 IVKPJNSFMPITNN-ZYHUDNBSSA-N 470.924 6.402 50 10 JKGE Fc1cc(Br)c(F)c(Br)c1[C@H](Br)[C@@H]1CCC[C@@H]2C[C@@H]21 2272726771 QKSDZDCCKAJSCG-HZLHGAJGSA-N 458.966 6.362 50 10 JKGE CC1(C)[C@H]2CO[C@@]1([C@@H](Br)c1cc(Br)c(Br)cc1F)C2 2273632609 XHLNPNZTIFBFMM-FDHQVAJDSA-N 456.975 5.602 50 10 JKGE Fc1cc(C[C@H](Cl)c2c(Br)sc(Br)c2Cl)ccc1Cl 2277800373 YQGCMOPZBDATHI-ZETCQYMHSA-N 467.412 7.242 50 10 JKGE COc1ccc([C@@H](Br)c2c(Br)c(C)nn2C)c(Br)c1Cl 2283547787 UWFCLNUAQKYLOM-LLVKDONJSA-N 487.417 5.400 50 10 JKGE CC1(C)CO[C@H](C[C@H](Br)c2c(F)cc(Br)c(F)c2Br)C1 2288497483 UAVXAYOAGGJKCV-SFYZADRCSA-N 476.981 6.131 50 10 JKGE COc1ccc(-c2nn(-c3ccccc3)cc2C=C(C#N)C(=O)Nc2cccc3ncccc23)cc1 2293034774 NWFMQYYAUZQFKS-UHFFFAOYSA-N 471.520 5.642 50 10 JKGE N#CC(=Cc1ccc(-c2ccc(Cl)c(C(=O)O)c2)o1)C(=O)NCCc1c[nH]c2ccccc12 2293116013 DAHRVLWEUODZLC-UHFFFAOYSA-N 459.889 5.045 50 10 JKGE CC(C)(C)OC(=O)NC[C@H]1C[C@H](C(F)(F)F)CCN1CCCCCCCBr 2294701162 OJZZDKNAHNOATO-HZPDHXFCSA-N 459.391 5.499 50 10 JKGE N#CC(=CNc1ccc(Br)cc1F)c1nc(-c2ccc(Cl)cc2Cl)cs1 2296800549 FKJXIWYDUAVFTE-UHFFFAOYSA-N 469.166 6.995 50 10 JKGE CSc1cccc(NC(SCc2cccc(C)c2)=C(C#N)S(=O)(=O)c2ccccc2)c1 2297350048 PWXMQZXKNBPEAO-UHFFFAOYSA-N 466.653 6.229 50 10 JKGE CCOc1ccc(NC(=O)C(C#N)=Cc2cn(Cc3ccc(Cl)c(Cl)c3)c3ccccc23)cc1 2313676624 LIQOTOJORHYCMJ-UHFFFAOYSA-N 490.390 6.941 50 10 JKGE Brc1ccc(OCc2ccccc2)c([C@H](Br)[C@@H]2OC[C@H]3CCC[C@@H]32)c1 2314443005 DSKRBROVGQZFNT-YDPGBSGYSA-N 466.213 6.279 50 10 JKGE Fc1cc(Br)ccc1[C@@H](Cl)c1cc(Br)ccc1OCc1ccccc1 2314501785 BEXQGLKQAQCZGC-HXUWFJFHSA-N 484.590 7.258 50 10 JKGE Cc1ccccc1NC(=O)C(C#N)=C1S[C@@H](Cc2ccccc2F)C(=O)N1c1ccc(C(C)C)cc1 2314592215 OCCRNSSGUWSHFP-SANMLTNESA-N 499.611 6.323 50 10 JKGE Cc1ccc(N2C(=O)[C@@H](Cc3ccccc3)SC2=C(C#N)C(=O)N[C@H](C)c2ccccc2)cc1C 2314593722 RZFUGSDTMPLLSM-QFQXNSOFSA-N 481.621 5.607 50 10 JKGE CC(C)[C@@H](Br)C(C)(C)NC(=O)c1cc(Br)sc1Br 2318051610 AUSSTDHAADQOML-SECBINFHSA-N 462.045 5.201 50 10 JKGE CC[C@@H](NC(=O)C(C#N)=CNc1ccc(Cl)cc1C(F)(F)F)c1ccc2c(c1)CCCC2 2325092700 QHIAOHGFPSZBPK-OAQYLSRUSA-N 461.915 6.324 50 10 JKGE CC(C)C[C@@H](NC(=O)C(C#N)=Cc1ccc(Br)cc1)C(=O)Nc1ccc2ccccc2c1 2329658753 PCBLVIDNWPLCTG-XMMPIXPASA-N 490.401 5.679 50 10 JKGE COc1cc(C=C(C#N)n2cnc3ccccc32)ccc1OCc1c(Cl)ccc(Cl)c1Cl 2331032908 ZPQDNJJRLCHEFB-UHFFFAOYSA-N 484.770 7.106 50 10 JKGE CCOc1ccc(C=C(C(O)=C(C#N)c2nc(-c3cccc(OC)c3)cs2)c2ccccc2)cc1 2331246758 UOLLFWLPPRMEQL-UHFFFAOYSA-N 480.589 7.251 50 10 JKGE CCOc1ccc(CC(O)=C(C#N)c2nc(-c3cc(OCC)ccc3OCC)cs2)cc1 2331376008 DVNXNPHMXYKKDC-UHFFFAOYSA-N 450.560 6.042 50 10 JKGE N#CC(=Cc1ccc(OCc2ccccc2Cl)cc1)c1nc(-c2cccc([N+](=O)[O-])c2)cs1 2331416211 VAXKVMJDDMTLNA-UHFFFAOYSA-N 473.941 7.015 50 10 JKGE COc1cc(C=C(C#N)c2nc(-c3cc(Cl)cc(Cl)c3OC)cs2)cc(Cl)c1O 2331467227 QALOAVAJPSHSRC-UHFFFAOYSA-N 467.761 6.557 50 10 JKGE Brc1cc(OCc2ccccc2)ccc1[C@H](Br)[C@@H]1Cc2ccccc2O1 2336052288 ZQMIOERTTJWBEJ-VXKWHMMOSA-N 474.192 6.468 50 10 JKGE CCc1occc1[C@@H](Br)c1c(Cl)cc(Br)c(F)c1Br 2337092717 VDURZFWLLMTZNK-LLVKDONJSA-N 475.377 6.644 50 10 JKGE COc1cc(Cl)c([C@@H](Br)c2c(Br)ncn2C)cc1Br 2337317967 UXCGCIUAVIENMA-SNVBAGLBSA-N 473.390 5.091 50 10 JKGE Clc1c(Br)sc(Br)c1[C@H](Br)[C@H]1COC2(CCC2)CO1 2338811509 CTFVWDQEATUFPY-HTRCEHHLSA-N 495.458 5.701 50 10 JKGE CC1(C)CCCN(Cc2ccc(Cl)cc2I)[C@H]1CBr 2341053894 ZUUHYKZMUKQYDW-AWEZNQCLSA-N 456.593 5.330 50 10 JKGE Clc1cc(Cl)cc(CC[C@H](Br)c2ccc(I)cc2)c1 2341182902 WHAKOXKCHATXSS-HNNXBMFYSA-N 469.975 6.667 50 10 JKGE Clc1cc(Br)c([C@@H](Br)[C@H]2C[C@@H]3O[C@H]2[C@H]2C[C@@H]32)c(Cl)c1Cl 2358398703 HVARZALNBJSGPB-BVFFNITLSA-N 461.408 6.269 50 10 JKGE Cl[C@@H](c1cc2c(s1)CCCCC2)c1cc(Br)ccc1OCc1ccccc1 2361205228 JUAPNBOYBUJEIZ-HSZRJFAPSA-N 461.852 7.687 50 10 JKGE Fc1c(Br)cc(Cl)c([C@@H](Br)CC2CC3(CCC3)C2)c1Br 2362233519 BGIUJZLJSPSFRF-VIFPVBQESA-N 489.448 7.411 50 10 JKGE Clc1cc(Cl)cc(CC[C@H](Br)c2c(Cl)sc(Cl)c2Cl)c1 2366792425 FSLIFOBWCCTJOM-VIFPVBQESA-N 453.443 8.084 50 10 JKGE CCOc1ccc([C@@H](Br)c2ccc(Cl)c(I)c2)c(F)c1 2367475484 YTIGLTHUGIWYJQ-HNNXBMFYSA-N 469.519 5.967 50 10 JKGE Cc1cc(Br)c([C@@H](Br)[C@@H]2CC[C@H]2C(C)(C)C)c(C)c1Br 2369132213 QXIFGIQNVGFLHS-HSMVNMDESA-N 467.083 7.337 50 10 JKGE Clc1ccc(I)cc1CN1C[C@@H]2CCCC[C@]2(CBr)C1 2380531731 TWHKKQUGAKREKJ-BBRMVZONSA-N 468.604 5.332 50 10 JKGE C[C@]1(NC(=O)c2csc(Br)c2Br)C[C@H]2CC[C@H]1C[C@H]2Br 2380909766 LIKCGGBKONSCEH-FTIDKWBHSA-N 486.067 5.345 50 10 JKGE CCOc1ccc(-c2c(C)sc(NC(=O)/C(C#N)=C/c3ccc(Cl)cc3)c2C(=O)OC)cc1 1974828 SUMUIVWOYFJAOL-QGOAFFKASA-N 480.973 6.108 50 10 JKGE C/C(=N\NC(=O)COc1ccc2ccccc2c1Br)c1ccc(-c2ccccc2)cc1 12575981 FZMHUPTYQPYMSV-MTDXEUNCSA-N 473.370 6.189 50 10 JKGE Cc1ccc(-c2csc(/C(C#N)=C/Nc3ccc(S(=O)(=O)Nc4cc(C)on4)cc3)n2)c(C)c1 17026024 UYBASLRNZQQCKP-QGOAFFKASA-N 491.598 5.501 50 10 JKGE Cc1ccc(CS/C(Nc2ccc(C(C)C)cc2)=C(\C#N)S(=O)(=O)c2ccccc2)cc1 20325469 WLJDWHIEONFFBL-OCEACIFDSA-N 462.640 6.630 50 10 JKGE CNC(=O)/C(C#N)=C\c1cn(-c2ccccc2)nc1-c1cccc(OCc2ccccc2Cl)c1 35446028 YBTCMWZCZURNLH-STZFKDTASA-N 468.944 5.425 50 10 JKGE Cc1cc(OCC(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@H]3c2ccc(Cl)cc2)ccc1Cl 38651384 YPVTVBOJRDTQDF-DEOSSOPVSA-N 481.335 5.504 50 10 JKGE CC(C)c1ccc(O[C@H](C)C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@@H]3c2cccc(F)c2)cc1 38678318 JHIFBFRLVAWOQO-WGDIFIGCSA-N 472.516 5.540 50 10 JKGE C=CCOc1ccc(C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@@H]3c2cccc(OCC=C)c2)cc1 38684566 PYAMVQOCFGZOGE-HHHXNRCGSA-N 480.520 5.254 50 10 JKGE C=CCOc1cccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)COc4ccc(C)c(C)c4)ccc32)c1 38684587 CJYWZHLWZMTXNN-NDEPHWFRSA-N 482.536 5.071 50 10 JKGE Cc1c(C(=O)Nc2cc(Cl)cc(Cl)c2)oc2c1/C(=N/NC(=O)c1cccs1)CCC2 40823678 JALLIDIBFOGQHJ-MFKUBSTISA-N 462.358 5.679 50 10 JKGE Cc1c(C(=O)Nc2ccc(/N=N/c3ccccc3)cc2)oc2c1/C(=N/NC(=O)c1cccs1)CCC2 40823716 FBXFXEFSECCXDW-NQLGTRCJSA-N 497.580 6.788 50 10 JKGE CCOC(=O)/C(C#N)=C/c1ccc(OC(=O)COc2ccc(-c3ccc(C)cc3)cc2)c(OC)c1 40881604 QPEBVEXOTHWCEM-HZHRSRAPSA-N 471.509 5.125 50 10 JKGE CCCCNC(=O)/C(C#N)=C/c1ccc(OC(=O)COc2ccccc2-c2ccccc2)cc1 40991845 WGVGQUOXXASMMP-PTGBLXJZSA-N 454.526 5.161 50 10 JKGE COc1ccc(Br)c(/C=N/NC(=O)c2ccc(OCc3ccc(C)cc3)cc2)c1 48572430 SXVHKRXRPPQVQP-AFUMVMLFSA-N 453.336 5.109 50 10 JKGE COc1ccc(/C=C(/C#N)C(=O)Nc2cc(C)ccc2C)cc1OC(=O)c1cccc2ccccc12 108606691 FQMDVEZQCLXANU-KQWNVCNZSA-N 476.532 6.230 50 10 JKGE COc1ccc(OC)c([C@@H](Br)c2cc(Br)sc2Br)c1 109869683 CLJXJGJVLAIAHX-GFCCVEGCSA-N 471.008 5.775 50 10 JKGE O=c1[nH]c2cc(Br)c([C@H](Br)c3ccc(Cl)cc3Cl)cc2[nH]1 109884089 QHEMDNXPAVFSTM-CYBMUJFWSA-N 450.945 5.410 50 10 JKGE Cc1c(Br)cccc1[C@@H](Br)c1cc2c(cc1Br)OCCO2 115983617 FYVBYARVNWIQAF-MRXNPFEDSA-N 476.990 5.776 50 10 JKGE COc1cc(C)c(Br)cc1[C@@H](Br)c1cccc(Br)c1C 115983847 CLXRQHKBAALOFE-INIZCTEOSA-N 463.007 6.321 50 10 JKGE C[C@@H](Cl)c1nc2cc(Br)c(F)cc2n1Cc1sccc1Br 148436978 MBMPZHLFIIDYPY-SSDOTTSWSA-N 452.574 6.110 50 10 JKGE Cc1cc(Br)c([C@@H](Br)c2cc(F)c(Cl)cc2F)cc1Br 167735139 NEOJXVCINBIKJP-CQSZACIVSA-N 489.379 6.936 50 10 JKGE CC(C)(C)c1ccc(/C=C\C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@H]3c2ccccc2F)cc1 205645018 WZCFBWBLACMQMR-JEOMXEOWSA-N 468.528 5.960 50 10 JKGE CC(C)(C)c1ccc(/C=C\C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@H]3c2ccc([N+](=O)[O-])cc2)cc1 205645911 ARCPNXILYPJZNN-FQIPAWCJSA-N 495.535 5.729 50 10 JKGE CCCOc1ccc(/C=N/NC(=O)Nc2sc3c(c2C(=O)OCC)CC[C@H](C)C3)cc1OC 206220874 FMPTYHSJLXKYOW-CAUYNWHBSA-N 473.595 5.003 50 10 JKGE COc1cc(/C=C(/C#N)C(=O)NC(C)C)ccc1OC(=O)COc1ccc(-c2ccc(C)cc2)cc1 206411249 QPHHMQAZICSMPI-IWIPYMOSSA-N 484.552 5.087 50 10 JKGE CCOC(=O)/C(C#N)=C\c1ccc(OC(=O)CCCOc2ccc(C(C)C)cc2)c(OC)c1 206992359 HFACKIJNTCPMMJ-QNGOZBTKSA-N 451.519 5.053 50 10 JKGE CCOc1ccc(C)cc1[C@H](Cl)c1cc(I)ccc1Br 233782866 TWONKYJHARSQPG-MRXNPFEDSA-N 465.556 6.089 50 10 JKGE CCc1ccc([C@H](Br)c2cc(Br)ccc2I)cc1 234184646 UQVONLQVQTVMBW-HNNXBMFYSA-N 479.981 6.100 50 10 JKGE COc1ccc(/C=C(/NC(=O)c2ccccc2)C(=O)NN=C(C)/C=C/C=C/c2ccccc2)cc1OC 254289153 FTDHOBOWEDRCEE-RDNMVPDLSA-N 495.579 5.236 50 10 JKGE O=C(COc1cccc2ccccc12)NN=Cc1c(OCc2ccc(F)cc2)ccc2ccccc12 254555908 RBHOYVBFSRSSPR-UHFFFAOYSA-N 478.523 6.240 50 10 JKGE O=C(NN=Cc1c(O)ccc2ccccc12)c1[nH]c2ccc([N+](=O)[O-])cc2c1-c1ccccc1 254819045 OWXYNNDUFMEACT-UHFFFAOYSA-N 450.454 5.366 50 10 JKGE CCCCCC[C@@H](C)O[C@@](C)(CI)CN(CC)C(=O)OC(C)(C)C 303741846 QIJYFDRREACPAH-APWZRJJASA-N 455.421 5.813 50 10 JKGE BrCC(CBr)(COC1CCCCC1)c1cccc(Br)c1 380493312 MXGQMVPATXSRNS-UHFFFAOYSA-N 469.055 5.826 50 10 JKGE CC(C)(C)OC(=O)N1C[C@@H](CI)[C@@H](c2cc(Cl)cc(Cl)c2)C1 382684436 BCOGMWAAZABMND-BXUZGUMPSA-N 456.151 5.379 50 10 JKGE CCOc1ccc([C@H](Br)c2ccc(OCc3ccccc3)cc2)cc1Br 388696622 FEFSESBCOFGSAM-JOCHJYFZSA-N 476.208 6.911 50 10 JKGE C[C@@H](COCc1ccccc1)Cn1c([C@@H](C)Cl)nc2cc(I)c(F)cc21 390392628 LGIKBTVHHHEBMO-ZIAGYGMSSA-N 486.756 5.933 50 10 JKGE Fc1cc2nc(CCl)n(CCCOCCOCc3ccccc3)c2cc1Br 390597896 ASBUYWDCHLSJPZ-UHFFFAOYSA-N 455.755 5.300 50 10 JKGE Cc1cc(F)c([C@@H](Br)c2cc(Br)c(Br)s2)cc1Cl 395919152 USSNNTAIOQEWRQ-LLVKDONJSA-N 477.418 6.858 50 10 JKGE Cc1cc(C=NNC(=O)[C@@H](C)SCc2ccccc2)c(C)n1-c1ccc(Cl)c(Cl)c1 1084077672 WWPSOKXWMRIGEQ-QGZVFWFLSA-N 460.430 6.173 50 10 JKGE Cc1cccc(COc2ccc(C=NNC(=O)CC[C@@H](O)c3ccccc3)cc2Br)c1 1084457842 GIHYLNCBEPYSMD-HSZRJFAPSA-N 481.390 5.300 50 10 JKGE CCCOc1ccc(Br)cc1C=NNC(=O)[C@H](C)Oc1ccc2ccccc2c1 1084609241 QLFMFHVUFDUGBD-INIZCTEOSA-N 455.352 5.309 50 10 JKGE FC(F)(F)c1cc(-c2cc(CCl)n(-c3cccc(Br)c3)n2)cc(C(F)(F)F)c1 1614818560 NDLFRABVWPKPFB-UHFFFAOYSA-N 483.637 7.078 50 10 JKGE COc1ccccc1C(=O)NN=C1CCCc2oc(C(=O)Oc3cccc4ccc(C)nc34)c(C)c21 1772745603 CFNZFGSPOUQAQR-UHFFFAOYSA-N 483.524 5.143 50 10 JKGE CCOC(=O)c1c(NC(=O)NN=Cc2cccc(OCc3ccccc3)c2)sc2c1CC[C@@H](C)C2 1772753074 CWSYUZHQYKWPDB-GOSISDBHSA-N 491.613 5.784 50 10 JKGE N#CSc1ccc(NC(=O)Oc2cccc3c(NC(=O)c4ccccc4Cl)cccc23)cc1 1858771159 GEQNIDNZBYYZEZ-UHFFFAOYSA-N 473.941 6.930 50 10 JKGE N#CC1=C(N)Oc2c(c(C(F)(F)F)nn2Cc2ccccc2Cl)[C@@H]1c1c(F)cccc1Cl 1865685294 HUUYBHRKXFQOMJ-HNNXBMFYSA-N 483.252 5.614 50 10 JKGE CCCc1nn(Cc2ccc(F)cc2)c2c1[C@H](c1ccc(OCc3ccccc3)cc1)C(C#N)=C(N)O2 1865689492 ASBFADDHWSRPMU-HHHXNRCGSA-N 494.570 5.820 50 10 JKGE CCOc1c(OC)cccc1[C@@H]1C(C#N)=C(N)Oc2c1c(-c1ccccc1)nn2-c1ccc(OC)cc1 1865692673 HJQANDAGRKGHSM-XMMPIXPASA-N 494.551 5.173 50 10 JKGE CCCOc1cccc([C@H]2C(C#N)=C(N)Oc3c2c(CCC)nn3Cc2ccccc2Cl)c1 1865693199 IEHFOIYPHOQQJU-QHCPKHFHSA-N 462.981 5.544 50 10 JKGE N#CC1=C(N)Oc2c(c(-c3ccccc3)nn2-c2cccc3ccccc23)[C@H]1c1ccc2c(c1)OCCO2 1865698657 ZPZNQSAFYHPOBC-MHZLTWQESA-N 498.542 5.682 50 10 JKGE CC[C@H](NC(=O)Cc1nc(-c2ccc(C(C)C)cc2)oc1C)C(=O)Nc1ccc(SC#N)cc1 1867183363 LPCJKDMPZRKPHA-QFIPXVFZSA-N 476.602 5.423 50 10 JKGE CCCCCCOc1ccc(/C(O)=C(\C#N)c2nc(-c3ccc(OC)c(OC)c3)cs2)cc1 1872745577 UFZFVXIAKZRHRL-DAFNUICNSA-N 464.587 6.736 50 10 JKGE COc1c(Cl)cc(-c2csc(/C(C#N)=C(\O)Cc3ccc(Cl)c(Cl)c3)n2)cc1Cl 1872756413 ZJPBOBHXRDKKRH-PDGQHHTCSA-N 486.207 7.468 50 10 JKGE CCOc1ccc(C/C(O)=C(\C#N)c2nc(-c3cc(Cl)c(OC)cc3OC)cs2)cc1 1872756508 MYKDRHDFIINFHP-JZJYNLBNSA-N 456.951 5.915 50 10 JKGE COc1c(C)cc(Cl)cc1-c1csc(/C(C#N)=C(\O)CCCOc2c(C)cccc2C)n1 1872756901 GSLLALAMCQREGH-XDOYNYLZSA-N 469.006 7.049 50 10 JKGE COc1ccc(-c2csc(/C(C#N)=C(\O)CCc3ccc(Cl)cc3)n2)c(OC)c1OC 1872759794 ZUCXWKULWSYVND-ZPHPHTNESA-N 456.951 5.915 50 10 JKGE CCN(Cc1ccccc1)c1ccc(/C=C(\C#N)c2nc(-c3ccc([N+](=O)[O-])cc3)cs2)cc1 1872784458 MNOCVZVZLVATAW-XQNSMLJCSA-N 466.566 6.809 50 10 JKGE CCCCCOc1ccc(/C=C(\C#N)c2nc(-c3cc(Cl)ccc3OC)cs2)cc1OC 1872795100 NEBVLTJNMWFTER-LDADJPATSA-N 469.006 7.114 50 10 JKGE Cc1nn(C)c([C@@H](Br)c2cc(Cl)c(Br)cc2F)c1Br 1877174069 ARIMOQYFVCVQKQ-NSHDSACASA-N 475.381 5.530 50 10 JKGE ClC1([C@H](Br)c2c(Br)sc(Br)c2Br)CC1 1893454173 ULRCSUBUCDFLQA-RXMQYKEDSA-N 488.264 6.243 50 10 JKGE CC(C)(C)OC(=O)NC[C@](C)(CI)OCc1cccc(Cl)c1Cl 1901218636 OBZOFOUNGWSPPQ-INIZCTEOSA-N 474.166 5.228 50 10 JKGE CCc1nn(CC)c(CN(Cc2ccccc2)[C@H](CBr)C(C)C)c1Br 1915272899 ZFDRBBCGQHAYNL-GOSISDBHSA-N 471.281 5.650 50 10 JKGE CC(C)[C@H](CBr)N(Cc1ccccc1)C(=O)c1ccc(Br)cc1F 1915297201 DFGARBMWYDNPPI-SFHVURJKSA-N 457.181 5.650 50 10 JKGE Brc1cc(Br)c([C@@H](Br)c2csc3c2CCCC3)s1 1922897878 QIMVLLFDKRMECH-LBPRGKRZSA-N 471.077 6.698 50 10 JKGE C[C@@H](C1CCCCC1)[C@@H](Cl)c1c(Br)sc(Br)c1Br 1924568674 JZZUYQRWLBSELS-WRWORJQWSA-N 479.503 7.532 50 10 JKGE Cn1nc([C@H](Br)c2cc(Br)c(Br)s2)cc1Br 1937822092 SSCUOGAQIKRGOR-QMMMGPOBSA-N 493.844 5.253 50 10 JKGE CCc1sc(Br)cc1[C@@H](Br)c1cc(C)c(Br)s1 1943033657 NPYIKNRICNNDBN-LLVKDONJSA-N 459.066 6.690 50 10 JKGE CCOC1([C@H](Br)c2c(Br)sc(Br)c2Br)CC1 1979426852 IPQIYWGUQDJYNQ-SSDOTTSWSA-N 497.872 6.041 50 10 JKGE Cc1c(Br)sc([C@H](Br)[C@H]2C[C@H]2C(C)(F)F)c1Br 2000490263 DVDVPQWEVHSOAG-SHYZEUOFSA-N 452.984 6.309 50 10 JKGE CC(C)[C@@H](CBr)N(Cc1ccccc1)C(=O)c1ncc(Br)cc1Cl 2007992402 KKICQLOQMIPIEW-MRXNPFEDSA-N 474.624 5.559 50 10 JKGE CC1(C)CC[C@@H](NCCSSCCNC(=O)OC(C)(C)C)[C@@H](OCc2ccccc2)C1 2010827425 QSUOIQRHIGAQFL-RTWAWAEBSA-N 468.729 5.646 50 10 JKGE Cc1cc([C@@H](Br)c2ccc(F)c(Br)c2F)c(Br)s1 2039500917 PASCOIAFCRRZGX-VIFPVBQESA-N 460.963 6.344 50 10 JKGE Brc1cc([C@H](Br)c2ccc3sncc3c2)c(Br)s1 2057032315 RTMNSDAEBRHALD-LLVKDONJSA-N 468.033 6.367 50 10 JKGE C[C@@H](NCCSSCCNC(=O)OC(C)(C)C)c1ccc(F)cc1Br 2061263454 ALXAJIZMGMNMAG-GFCCVEGCSA-N 453.443 5.145 50 10 JKGE CCc1nn(C)c([C@@H](Br)c2cc(Br)sc2C)c1Br 2072301969 FCRKJDQPDJVRAE-JTQLQIEISA-N 457.029 5.362 50 10 JKGE FC(F)(F)[C@@H]1C[C@H]1C[C@H](Br)c1ccc(Br)cc1Br 2083339693 REOZLNLZOZMGHF-QUNWWBBNSA-N 450.918 6.236 50 10 JKGE F[C@H]1CC[C@H](CC(CBr)(CBr)c2ccccc2Br)C1 2093928639 UHZZBMXXIVFHHO-RYUDHWBXSA-N 457.019 6.005 50 10 JKGE FC1(F)CN(Cc2c(Br)cccc2Br)CC[C@H]1CBr 2094090298 GEICWXZTEGLFNE-VIFPVBQESA-N 461.970 5.064 50 10 JKGE C[C@H](CCn1c(CCl)nc2cc(Br)c(Cl)cc21)N(C)Cc1ccccc1 2103623294 JXGUVZDQOFBOMF-CQSZACIVSA-N 455.227 6.102 50 10 JKGE CN(Cc1ccc(Br)cc1Br)C1(CBr)CCCCC1 2113917484 KSCRRQKVAXLEGV-UHFFFAOYSA-N 454.044 5.741 50 10 JKGE Cc1cc(Br)c(CBr)c(N2CC[C@H]3CC[C@@H](C2)N3Cc2ccccc2)c1 2116823965 HSGKQVHZTVIAHC-MOPGFXCFSA-N 478.272 5.896 50 10 JKGE FC(F)(F)[C@H]1C[C@H]1COc1c(Br)cc(Br)cc1CBr 2128746728 GWUHLOZLIMBSGJ-CBAPKCEASA-N 466.917 5.684 50 10 JKGE C[C@H](Cl)CCc1cn(-c2c(Br)cc(Br)cc2Br)nn1 2132768446 XNKKMFZCYFPMBO-ZETCQYMHSA-N 472.406 5.115 50 10 JKGE Cc1cc(Br)c(C)c([C@H](Br)c2csc(C)c2C)c1Br 2136367326 PVOCHSYXDDUUCA-OAHLLOKOSA-N 467.064 6.991 50 10 JKGE Cc1cc(Br)c(C)c([C@H](Br)[C@H](C)C2CCCC2)c1Br 2136373234 AUMHVLAKFXQBCA-QLJPJBMISA-N 453.056 7.091 50 10 JKGE Cc1cc(Br)c(C)c([C@@H](Br)[C@](C)(F)C(C)(C)F)c1Br 2136377335 OASSFRCJRZRCNK-OCCSQVGLSA-N 462.998 6.741 50 10 JKGE Clc1ccc(C[C@H](CBr)Cc2ccccc2Br)c(Br)c1 2144777486 UHMTXSBVGPYNFZ-LLVKDONJSA-N 481.453 6.661 50 10 JKGE C[C@@H](Br)C[C@@H]1CCCCCN1Cc1ccc(Br)cc1Br 2148686326 WLRXBGAJMYWMEO-DOMZBBRYSA-N 468.071 6.130 50 10 JKGE COc1ccc(CBr)cc1OCc1c(Br)cccc1Br 2150488961 QFXZXTHSHXOAEW-UHFFFAOYSA-N 464.979 5.694 50 10 JKGE Cc1cc(Br)sc1[C@@H](Br)c1ccc(Br)cc1C(F)(F)F 2156077117 XHACAMZZDOQKTC-NSHDSACASA-N 492.980 7.085 50 10 JKGE C[C@@H](Cl)c1nc2cc(Br)c(Cl)cc2n1C[C@H]1CCN(Cc2ccccc2)C1 2160079536 CJJYUDMGQCIBTJ-ZBFHGGJFSA-N 467.238 6.274 50 10 JKGE BrC[C@@H]1CN(Cc2cc(Br)ccc2Br)CC12CCCC2 2175209781 PSSWDWSYCMXEAL-CYBMUJFWSA-N 466.055 5.599 50 10 JKGE COc1cc(Br)c(Oc2nc(CCl)ccc2Br)cc1Br 2177044944 WDYSMWGOWRNWQJ-UHFFFAOYSA-N 486.385 5.909 50 10 JKGE Cc1c(Br)sc([C@H](Br)C2CC(C)(C)CC(C)(C)C2)c1Br 2193418684 FZWBCTCFYOIYNG-GFCCVEGCSA-N 487.139 7.870 50 10 JKGE BrCc1cc(Br)cc(Br)c1OC[C@H]1C[C@@H]1C1CCCC1 2200388663 CALIAZMNIITDJD-TZMCWYRMSA-N 467.039 6.312 50 10 JKGE COc1cc2c(cc1Br)nc([C@H](C)Cl)n2[C@@H](C)CCOCc1ccccc1 2202312282 RGVQBLWCMMPVFT-GJZGRUSLSA-N 451.792 6.275 50 10 JKGE COc1c(Cl)cc(Br)cc1[C@@H](Br)c1cccc(Br)c1F 2202998668 FDYUZVMGJGYNRR-LBPRGKRZSA-N 487.388 6.497 50 10 JKGE COc1ccc([C@@H](Br)c2cccc(F)c2I)c(Cl)c1Cl 2203431629 DOPSVZLLWUKYLO-LLVKDONJSA-N 489.937 6.230 50 10 JKGE Cc1c(Br)sc([C@H](Br)c2csc(I)c2)c1C 2210555869 ONASWGLJULBIAN-SECBINFHSA-N 492.039 6.278 50 10 JKGE Cc1sc([C@H](Cl)c2cc(Br)sc2Br)c(Br)c1C 2215943562 HTLVROXHWJAVOR-SECBINFHSA-N 479.484 7.042 50 10 JKGE Cc1sc([C@@H](Cl)c2cc(Br)c(Br)s2)c(Br)c1C 2215946234 UGSJWNVSBLECBB-VIFPVBQESA-N 479.484 7.042 50 10 JKGE CCOCc1cc(Br)c([C@@H](Br)c2occc2Br)s1 2217989570 YDVKNEJLVADQJC-JTQLQIEISA-N 458.997 5.887 50 10 JKGE Cc1oc(Br)cc1[C@H](Cl)c1cc(Br)c(Br)cc1F 2218606160 OITFBELZFQVXAX-LBPRGKRZSA-N 461.350 6.343 50 10 JKGE Cn1cc([C@@H](Cl)c2cc(Br)c(Br)cc2F)nc1Br 2218606777 VKKLEDDFEOLHCT-JTQLQIEISA-N 461.354 5.175 50 10 JKGE Cc1sc([C@H](Br)Cc2ncccc2Br)c(C)c1Br 2218969302 OJRMVKFFKQPFCD-SNVBAGLBSA-N 454.025 5.964 50 10 JKGE Brc1ccsc1[C@@H](Br)c1ccc2c(c1Br)CCO2 2222189370 NKFDGWXBWRJGBJ-LBPRGKRZSA-N 452.993 5.692 50 10 JKGE ClCCc1nc2cc(Br)c(Br)cc2n1CC1CN(Cc2ccccc2)C1 2225696964 JYQSMZKXIWPTCR-UHFFFAOYSA-N 497.662 5.475 50 10 JKGE Cc1cc(Br)c([C@H](Br)[C@@H]2CC[C@@H]3C[C@H]3C2)c(C)c1Br 2227355975 OZNSXCBUQVQUCQ-LSSIXWDNSA-N 451.040 6.701 50 10 JKGE Cc1cc(Br)c([C@@H](Cl)c2c(Br)cc(C)c(Br)c2C)s1 2229317518 JHAOUFZPQZFFOJ-ZDUSSCGKSA-N 487.482 7.289 50 10 JKGE Cc1ccc([C@@H](Br)c2c(Br)cc(Cl)c(Cl)c2Cl)c(Cl)c1 2232508759 AUKCODPGXSLOQY-GFCCVEGCSA-N 477.838 7.855 50 10 JKGE Cc1cc(Br)c([C@H](Br)c2c(F)cccc2I)s1 2247988321 ULEPRXQFPKZVHJ-LLVKDONJSA-N 489.973 6.047 50 10 JKGE Clc1ccc([C@H](Cl)c2cc(Br)c(Cl)s2)cc1I 2248216157 QUKIDJZPIIASOB-JTQLQIEISA-N 482.395 6.750 50 10 JKGE Cn1cc([C@H](Br)c2cc3sc(Br)cc3s2)c(Br)n1 2263616246 SHDXIABECLMXBG-JTQLQIEISA-N 471.037 5.706 50 10 JKGE COc1c([C@H](Br)c2cc(Br)c(Br)cc2F)csc1Cl 2268951950 FCJTXRYXIOVUJD-SNVBAGLBSA-N 493.417 6.559 50 10 JKGE COc1c(Br)cc(Cl)c(C)c1[C@@H](Br)c1csc(Br)c1 2277900134 FTMZAHHDJFCVHW-LBPRGKRZSA-N 489.454 6.728 50 10 JKGE COc1cc(C)c(Br)cc1[C@@H](Cl)c1c(F)cccc1I 2282895494 YLXLSWNVLHWEJH-OAHLLOKOSA-N 469.519 5.838 50 10 JKGE C[C@H](Cl)c1nc2cc(CF)ccc2n1CC1(N(Cc2ccccc2)Cc2ccccc2)COC1 2283575077 WOLJAOGUZXEKBE-NRFANRHFSA-N 478.011 6.277 50 10 JKGE COc1c(Br)cc([C@@H](Br)c2ccsc2Br)c(OC)c1C 2295431016 RLQDUTHHINIPSI-NSHDSACASA-N 485.035 6.083 50 10 JKGE N#CC(=Cc1ccc(OCc2cccc(Br)c2)cc1)S(=O)(=O)c1ccccc1 2295593348 NQCGZMZECMOVGQ-UHFFFAOYSA-N 454.345 5.366 50 10 JKGE Cc1ccc(C(=O)Nc2sc(C(C#N)=Cc3ccc(N4CCCCC4)o3)nc2-c2ccccc2)cc1 2297576252 VIYNPZSVUWXCKW-UHFFFAOYSA-N 494.620 7.018 50 10 JKGE CCCC[C@H](CC)[C@@H](Br)c1ccc(OCc2ccccc2)cc1Br 2299497750 RZMLZJQKAXFXNP-LAUBAEHRSA-N 454.246 7.681 50 10 JKGE Clc1ccc(Cl)c([C@@H](Br)c2sc(Cl)cc2I)c1 2300953964 QMXBSSJJRPGXKY-SNVBAGLBSA-N 482.395 6.797 50 10 JKGE COc1cc(C=C(C#N)C(=O)Nc2ccccc2Cl)ccc1OCc1cccc(Cl)c1 2313631333 ODSLRHNLVSWMRB-UHFFFAOYSA-N 453.325 6.127 50 10 JKGE N#CC(=Cc1cc(Br)ccc1OCc1ccc(Cl)cc1)C(=O)Nc1ccccc1F 2313631932 ZJJAPFWMRKLYII-UHFFFAOYSA-N 485.740 6.366 50 10 JKGE CCOC(=O)c1c(NC(=O)C(C#N)=Cc2ccc(-c3ccc(C(=O)O)cc3)o2)sc2c1CCCC2 2314487505 IVJVZFUQUYAMIK-UHFFFAOYSA-N 490.537 5.307 50 10 JKGE COc1cc(C)c([C@@H](Br)c2cnsc2Br)cc1Br 2315639700 BZLDTGVSRVCBOZ-LLVKDONJSA-N 455.997 5.469 50 10 JKGE Clc1cccc(CBr)c1Oc1cc(Br)cc(Br)c1 2316756344 DBPGVSHQKGNRHF-UHFFFAOYSA-N 455.371 6.552 50 10 JKGE Cc1cc(Br)c(F)c(Br)c1[C@H](Cl)c1ncsc1Br 2317402247 ASEUGSBFAHBVKR-QMMMGPOBSA-N 478.406 6.206 50 10 JKGE Clc1ccc([C@@H](Cl)Cc2cccc(Br)c2)c(I)c1 2317770258 DVTCMNLBELCEHY-ZDUSSCGKSA-N 455.948 6.230 50 10 JKGE C[C@H]1C[C@H]2C[C@]([C@@H](Br)c3c(Br)sc(Br)c3Cl)(C2)O1 2319799794 ZRGCLBSRXZCIOJ-UWZHDKSYSA-N 479.459 6.320 50 10 JKGE CCOc1ccc(C=CC(=O)Oc2ccc(C=C(C#N)c3ccc(OC)c(OC)c3)cc2)cc1OC 2320507133 ZHAUAGQQOUSCIL-UHFFFAOYSA-N 485.536 5.794 50 10 JKGE Cc1cc(I)ccc1NC=C(C#N)C(=O)Nc1ccccc1C(F)(F)F 2324304871 KMGXZZCENPVHLD-UHFFFAOYSA-N 471.220 5.077 50 10 JKGE Cc1cc(OCc2cccc(CCl)c2)cc2c1C(=O)C(=Cc1ccc(Cl)cc1Cl)O2 2325363399 OKQXSTAFRRLSDK-UHFFFAOYSA-N 459.756 7.236 50 10 JKGE Fc1cc([C@@H](Cl)c2sc(Br)cc2Br)c(Cl)cc1Cl 2326685982 RDXWYXXHTQYRPZ-SNVBAGLBSA-N 453.385 7.047 50 10 JKGE BrC[C@H]1C[C@@H]2CCC[C@@H]2N1Cc1ccc(Br)cc1Br 2329616710 HFQFDDMBRSGPFV-ZBINZKHDSA-N 452.028 5.350 50 10 JKGE N#CC(=Cc1ccc(-n2nc(-c3ccccc3)cc2-c2ccccc2)cc1)c1ccccc1[N+](=O)[O-] 2331066016 DYVGYLKJFZIIDK-UHFFFAOYSA-N 468.516 7.179 50 10 JKGE CCc1ccc(OCCCC(O)=C(C#N)c2nc(-c3ccc(OC)c(OC)c3)cs2)cc1 2331242444 DAGOFJMBMNIJCH-UHFFFAOYSA-N 450.560 6.042 50 10 JKGE Cc1cc(OCC(O)=C(C#N)c2nc(-c3ccc(Cl)cc3Cl)cs2)ccc1Cl 2331251003 GSCUHQSJHOZOQK-UHFFFAOYSA-N 451.762 6.950 50 10 JKGE COc1ccccc1-c1csc(C(C#N)=C(O)c2ccc3c(c2)C(=O)N(C2CCCCC2)C3=O)n1 2331281862 ZNJKNVRUAYMGJB-UHFFFAOYSA-N 485.565 5.697 50 10 JKGE N#CC(=C(O)c1ccccc1C(=O)c1ccccc1)c1nc(-c2ccc3c(c2)OCCO3)cs1 2331330133 ZRYJDONMDYCSGS-UHFFFAOYSA-N 466.518 5.762 50 10 JKGE CCOc1ccc(OCC)c(-c2csc(C(C#N)=C(O)CCCOc3ccccc3C)n2)c1 2331376610 YDMXQNCBMRFOKK-UHFFFAOYSA-N 464.587 6.568 50 10 JKGE COc1ccc(OC)c(CC(O)=C(C#N)c2nc(-c3cc(OC)c(Cl)cc3OC)cs2)c1 2331377059 CXSUTQCNEPWVOH-UHFFFAOYSA-N 472.950 5.533 50 10 JKGE CCOC(=O)Oc1ccc(C(O)=C(C#N)c2nc(-c3ccc(OC)c(Cl)c3)cs2)cc1 2331398172 OSGFXYIIBKAIOV-UHFFFAOYSA-N 456.907 5.957 50 10 JKGE CCN(Cc1ccccc1)c1ccc(C=C(C#N)c2nc(-c3ccc(OC)c(C)c3C)cs2)cc1 2331468313 WCTYKINXWBZUDM-UHFFFAOYSA-N 479.649 7.526 50 10 JKGE C[C@@H]1CCC[C@H]([C@@H](Br)c2c(Cl)cc(Br)c(F)c2Br)O1 2337087674 BPWMKIDFRRUIRR-KNBVPPQFSA-N 479.409 6.398 50 10 JKGE ClCC(CCl)(Cc1sccc1I)c1ccccc1Br 2338755558 QZNSBQLQTUZJCE-UHFFFAOYSA-N 490.031 6.073 50 10 JKGE Cc1cc(Br)c(F)c(Br)c1[C@@H](Br)C(C)(C)C1CCC1 2339651105 MFBAWNKZEMJKOA-CQSZACIVSA-N 457.019 6.921 50 10 JKGE Cc1cc(Br)c(F)c(Br)c1[C@@H](Br)C(C(C)C)C(C)C 2339675625 RSNVYPCROZGDQS-ZDUSSCGKSA-N 459.035 7.023 50 10 JKGE COc1cc(F)c([C@@H](Br)c2csc(C)c2Br)cc1Br 2343566039 FHJPHUOEYFKYAV-CYBMUJFWSA-N 472.999 6.214 50 10 JKGE C[C@H](c1ccncc1F)[C@H](Br)c1cccc(Br)c1Br 2344699908 WVVSESDRIBEVBY-OQPBUACISA-N 451.959 5.985 50 10 JKGE Brc1cc(CCC[C@H](Br)c2ccccc2)ccc1I 2349780883 JTLQKYLVLVQEGS-AWEZNQCLSA-N 494.008 6.513 50 10 JKGE BrCC1C[C@@H]2CC[C@H](C1)N2Cc1ccc(I)c(Br)c1 2349832727 VVCQJNQRCWFTNR-YHWZYXNKSA-N 499.028 5.192 50 10 JKGE Cc1cnc(OCc2cc(I)ccc2Br)cc1CBr 2352401268 AVWGTIXIIOEAHZ-UHFFFAOYSA-N 496.968 5.231 50 10 JKGE Cc1c(Br)ccc([C@@H](Br)[C@@H]2CC[C@@H]3[C@H](C2)C3(F)F)c1Br 2358114089 DCZBSMMJCVSPOO-GJTWSCIVSA-N 472.993 6.637 50 10 JKGE O=C(c1cc(Br)sc1Br)N1CC[C@@H](Br)C[C@@H]1C(F)(F)F 2361465112 VMLVEKUBJLWHNS-IYSWYEEDSA-N 499.972 5.204 50 10 JKGE Clc1ccc(CN2CC[C@@H]3CC[C@H](Br)C[C@H]3C2)cc1I 2362369003 TYGDXQRIYUCVND-IHRRRGAJSA-N 468.604 5.330 50 10 JKGE FC(F)(F)c1cc(Cl)cc([C@H](Cl)c2sc(Cl)cc2I)c1 2363883269 GPSRUCRCWQWWEU-JTQLQIEISA-N 471.496 7.007 50 10 JKGE COc1cc(Br)c([C@H](Cl)c2ccc(Cl)cc2I)cc1C 2365594729 BHFCVCUMHUOGBF-OAHLLOKOSA-N 485.974 6.352 50 10 JKGE Clc1ccc([C@@H](CBr)OCc2c(Br)cccc2Br)cc1 2366145286 PXCAZJHVUTWLLT-OAHLLOKOSA-N 483.425 6.518 50 10 JKGE C[C@@H](Sc1nnc(-c2sc3ccccc3c2Cl)o1)C(=O)/C(C#N)=C1\Nc2ccccc2S1 12557495 SRNKQBPWARYXKY-GDKRHEGXSA-N 497.026 6.607 50 10 JKGE CCOc1cc(/C=C(/C#N)C(=O)Nc2ccc(NC(C)=O)cc2)ccc1OCc1ccc(Cl)cc1 33560446 JBJMEOUGSNNPPP-STZFKDTASA-N 489.959 5.822 50 10 JKGE COc1ccc(NC(=O)/C(C#N)=C\c2c(Oc3ccc(C(C)(C)C)cc3)nc3ccccn3c2=O)cc1 33671375 ZLEFVECFVKWGFE-ZPHPHTNESA-N 494.551 5.339 50 10 JKGE Cc1ccc(-c2csc(/C(C#N)=C\Nc3ccc4c(C(F)(F)F)cc(=O)oc4c3)n2)c(C)c1 33932023 DNQSTZCGAYWJEK-PTNGSMBKSA-N 467.472 6.529 50 10 JKGE Cc1ccccc1NC(=O)/C(C#N)=C1/S[C@@H](Cc2cccc(Cl)c2)C(=O)N1c1ccccc1C 34744105 BBCLRZTYCJIXLY-XYZDCVNTSA-N 488.012 6.022 50 10 JKGE CCC[C@H](C)c1nc(N2CCCN(C(=O)C(C)(C)CCl)CC2)c2cnn(-c3ccccc3)c2n1 35925928 CNLHJHSKOTVJKM-IBGZPJMESA-N 483.060 5.023 50 10 JKGE CCOc1cc(/C=C2/C(=O)N(C3CCCC3)C(=O)C(C#N)=C2C)ccc1OCc1ccccc1 38607924 BUWCMXFPAPYBMF-HZHRSRAPSA-N 456.542 5.199 50 10 JKGE CCOc1ccccc1[C@@H]1C(C#N)=C(N)Oc2cc(OC(=O)c3oc4cc(C)cc(C)c4c3C)ccc21 38687460 IOCFURWRCBKWQC-MHZLTWQESA-N 494.547 6.194 50 10 JKGE CC(C)(C)c1cc(Br)ccc1OCC(=O)N/N=C/c1ccccc1OCc1ccccc1 40911721 VJDBABVRSPIOSI-LQKURTRISA-N 495.417 5.855 50 10 JKGE COc1cc(/C=N\NC(=O)CC[C@@H](O)c2ccccc2)ccc1OCc1cccc2ccccc12 58889716 URIPJNRMRZHCJG-KAECXJSPSA-N 468.553 5.391 50 10 JKGE COc1ccc(/C=N/NC(=O)c2ccc(-n3c(C)ccc3-c3ccccc3)cc2)cc1Br 59304201 PEQNAPOBOKYOKS-OGLMXYFKSA-N 488.385 5.988 50 10 JKGE O=C(N/N=C/c1c(Oc2ccc(C(F)(F)F)cc2[N+](=O)[O-])ccc2ccccc12)c1cccnc1 59463020 FRHWCMUJXSNRMC-IPPBACCNSA-N 480.402 5.718 50 10 JKGE CCCCCCOc1ccc(C(=O)NNC(=O)C(C)(C)CCCOc2cc(C)ccc2C)cc1 66201473 XWCCCBBHMKOCDF-UHFFFAOYSA-N 468.638 5.909 50 10 JKGE N#C/C(C(=O)CSc1nnc(-c2ccccc2)n1-c1ccccc1)=C1/Nc2ccccc2S1 102788857 LDUZFMHQJOBDEP-LYBHJNIJSA-N 467.579 5.548 50 10 JKGE Clc1cccc(Cl)c1[C@@H](Br)c1cc(Br)ccc1Br 109844644 RMDRNERMCPWNCL-ZDUSSCGKSA-N 473.817 7.003 50 10 JKGE COc1cccc(C[C@@H](Br)c2cc(Br)c(Br)s2)c1 128271578 ZXKOVQFZEYEYLW-SNVBAGLBSA-N 455.009 5.960 50 10 JKGE CCCc1ccc([C@@H](Br)c2cc(Br)c(Br)s2)cc1 128863903 XVRHNAOPOFJTKA-CYBMUJFWSA-N 453.037 6.710 50 10 JKGE O=[N+]([O-])c1ccc(COc2ccc(Br)c(CBr)c2)c(Br)c1 129040903 UQCUTPILTOVEFS-UHFFFAOYSA-N 479.950 5.594 50 10 JKGE Cc1cc([C@@H](Br)c2cc(Br)ccc2Br)cc(C)c1F 161109079 RVHNZZLFELDKMO-CQSZACIVSA-N 450.971 6.452 50 10 JKGE CCCCCOc1ccc(/C=C/C(=O)Oc2ccc(/C=C(/C#N)C(=O)OCC)cc2OC)cc1OC 206177942 NKNFQMGFLBUARC-CEFCJMCMSA-N 493.556 5.362 50 10 JKGE CCOC(=O)/C(C#N)=C\c1ccc(OC(=O)COc2ccc(-c3ccccc3)cc2)c(OCC)c1 206290395 HOVJJHSFBOBVJM-KQWNVCNZSA-N 471.509 5.207 50 10 JKGE CCOc1ccc(-c2nn(-c3ccccc3)cc2/C=C2\C(=O)N([C@@H](C)CC)C(=O)C(C#N)=C2C)c(C)c1 214256757 BWSOMKISMLLOSZ-ZWXNIRCYSA-N 494.595 5.637 50 10 JKGE CC(C)C1=CC(C(C)C)=C(c2ccccc2)[C@](C(C)C)(P(c2ccccc2)c2ccccc2)C1 222893287 HHVLGGWSQSFZGX-XIFFEERXSA-N 466.649 8.610 50 10 JKGE COc1ccc(F)cc1[C@H](Br)c1cc(Br)sc1Br 234851653 LZVOKWLUIAHQHE-NSHDSACASA-N 458.972 5.905 50 10 JKGE Clc1ccc(C[C@@H](Cl)c2cc(I)ccc2Br)cc1 236028776 GIUBFUJRRCRBBL-CQSZACIVSA-N 455.948 6.230 50 10 JKGE Fc1ccc([C@@H](Br)c2csc3c(Br)cccc23)cc1Br 236182041 QOHDSSZOKIANRL-CQSZACIVSA-N 479.006 7.050 50 10 JKGE Fc1cccc(C[C@@H](Br)c2cc(Cl)ccc2I)c1F 236202216 VBKSZPSXQRSKKH-LLVKDONJSA-N 457.483 5.902 50 10 JKGE COc1ccccc1/C=C/C=NNC(=O)CSc1nc2ccccc2n1Cc1ccc(C)cc1 254301013 ZCXAGOGICNIKSO-JFUPSOQSSA-N 470.598 5.309 50 10 JKGE CC(=NNC(=O)CSc1nnc(-c2ccc(C)cc2)n1-c1ccc(C)cc1)c1ccc(F)cc1 254384141 OCULLFQCYMIUDB-UHFFFAOYSA-N 473.577 5.323 50 10 JKGE O=C(NN=Cc1cn(Cc2ccc(F)cc2)c2ccccc12)C(O)(c1ccccc1)c1ccccc1 254734065 QKGVPXQHRRBXRX-UHFFFAOYSA-N 477.539 5.215 50 10 JKGE C[C@@H](Cl)c1nc2cc(I)ccc2n1C[C@@]1(C)CCN(Cc2ccccc2)C1 312570845 ZHXWXBKVDAWCJV-ZHRRBRCNSA-N 493.820 5.853 50 10 JKGE FC(F)(F)c1csc([C@@H](Cl)c2ccc(Br)cc2Cl)c1Br 312929401 FGTWZARBYGMDBG-JTQLQIEISA-N 468.947 7.274 50 10 JKGE ClCc1nc2cc(I)ccc2n1[C@@H]1CC[C@H]2CN(Cc3ccccc3)C[C@H]21 380747315 MYLKBGYREZYDPV-ILZDJORESA-N 491.804 5.463 50 10 JKGE C[C@@H](Cl)c1nc2ccc(F)c(F)c2n1CCCN(Cc1ccccc1)Cc1ccccc1 390466850 FYLOKNMJGQXVNY-LJQANCHMSA-N 453.964 6.707 50 10 JKGE C[C@H](Cl)c1nc2cc(I)ccc2n1CCCCOCc1ccccc1 390540049 LCINDDZPMACJHU-HNNXBMFYSA-N 468.766 5.938 50 10 JKGE CC[C@@H](CC(F)(F)F)[C@@H](Br)c1cc(Br)c(Br)s1 402630779 MJZGZXDLDMRXSL-YLWLKBPMSA-N 458.963 6.688 50 10 JKGE CC(C)[C@@H]1CC[C@@H](Br)[C@@H](Cc2cc(Cl)ccc2I)C1 405331551 GWRWBGYKERFZGJ-LALPHHSUSA-N 455.605 6.323 50 10 JKGE CC(C)(C)OC(=O)N1C[C@H](c2cccc(CCO[Si](C)(C)C(C)(C)C)c2)Cc2ccccc21 616591731 FGVUXBIHZRYWOP-XMMPIXPASA-N 467.726 7.332 50 10 JKGE Brc1cc2c(c([C@H](Br)c3ccccc3OCc3ccccc3)c1)OCCC2 688365221 PQNDDDCIPYYINL-JOCHJYFZSA-N 488.219 6.837 50 10 JKGE Cc1nc(C)c(COc2c(Br)cc(Br)cc2CBr)s1 692006391 DIKLRSSPGCWSMY-UHFFFAOYSA-N 470.024 5.759 50 10 JKGE C[C@H](CC(C)(C)C#N)Oc1c(Br)cc(Br)cc1CBr 695885147 UYZDGGVORLDCNO-SECBINFHSA-N 454.000 5.814 50 10 JKGE Fc1ccc(COc2cccc(Br)c2CBr)c(Br)c1 706817988 ATKYOMGYIYQGOC-UHFFFAOYSA-N 452.943 5.825 50 10 JKGE FS(F)(F)(F)(F)c1ccc(N=Nc2ccc(N(c3ccccc3)c3ccccc3)cc2)cc1 1082534144 SMQASDXYDRNKCI-UHFFFAOYSA-N 475.486 10.229 50 10 JKGE Cc1cc(/C=C(/C#N)C(=O)NCc2cccs2)c(C)n1-c1ccc(OCc2ccc(C#N)cc2)cc1 1083898332 OQRXYZNSFKMSIA-MYYYXRDXSA-N 492.604 5.830 50 10 JKGE O=C(COc1ccc2c(c1Br)CCCC2)NN=Cc1ccc(OCc2ccccc2)cc1 1084079291 SDOOQJPOZNHHCW-UHFFFAOYSA-N 493.401 5.436 50 10 JKGE Cc1cc(Cl)ccc1NC(=O)c1oc2c(c1C)C(=NNC(=O)c1ccc(Cl)cc1)CCC2 1772744218 UZAHOOUHMDWNSB-UHFFFAOYSA-N 470.356 5.926 50 10 JKGE Cc1c(C(=O)N2CCC(C)CC2)oc2c1C(=NNC(=O)C(c1ccccc1)c1ccccc1)CCC2 1772747736 GCBNYVMXXHQSCW-UHFFFAOYSA-N 483.612 5.449 50 10 JKGE CCCOc1ccc(C=NNC(=O)CSc2nc(-c3ccc(Cl)cc3)cs2)cc1OC 1772754958 CMDUYYCQCYLAPC-UHFFFAOYSA-N 476.023 5.503 50 10 JKGE N#CSc1ccc(NC(=O)Nc2ncccc2OCC(=O)Nc2cc(Cl)cc(Cl)c2)cc1 1858833050 VZACIILVPCZFHZ-UHFFFAOYSA-N 488.356 5.623 50 10 JKGE CCCOc1ccccc1/C=C/C(=O)N/N=C1\C(=O)N(Cc2ccccc2Cl)c2ccccc21 1860822817 OXZIVGCDLUEFHH-CDLKRXKISA-N 473.960 5.209 50 10 JKGE COc1ccc([C@@H]2C(C#N)=C(N)Oc3c2c(-c2ccccc2)nn3-c2cccc(Cl)c2)cc1O 1865682158 HQFRXUYFISTEGU-JOCHJYFZSA-N 470.916 5.125 50 10 JKGE COc1ccc(-c2nn(-c3cccc(Cl)c3)c3c2[C@H](c2ccc(Cl)cc2)C(C#N)=C(N)O3)cc1 1865683028 DNGYOOZQUSHCGU-JOCHJYFZSA-N 489.362 6.073 50 10 JKGE CCCc1nn(Cc2ccc(Cl)c(Cl)c2)c2c1[C@H](c1ccc(N(C)C)cc1)C(C#N)=C(N)O2 1865683748 OKMJUHATFNBWNV-JOCHJYFZSA-N 482.415 5.475 50 10 JKGE COc1ccc(-c2nn(CC(C)C)c3c2[C@@H](c2ccc(Cl)c(Cl)c2)C(C#N)=C(N)O3)cc1 1865685028 CLLNIKIQZXBXQF-FQEVSTJZSA-N 469.372 5.740 50 10 JKGE CCCn1nc(-c2ccc(OC)cc2)c2c1OC(N)=C(C#N)[C@H]2c1ccc(Cl)cc1Cl 1865686587 XJTFXHFSTBDMMS-LJQANCHMSA-N 455.345 5.494 50 10 JKGE CCCc1nn(Cc2ccc(F)cc2)c2c1[C@@H](c1ccc(OCc3ccccc3)cc1)C(C#N)=C(N)O2 1865689493 ASBFADDHWSRPMU-MHZLTWQESA-N 494.570 5.820 50 10 JKGE CCCCCOc1ccc([C@H]2C(C#N)=C(N)Oc3c2c(C)nn3Cc2cccc(Cl)c2)cc1 1865690334 OUIZTIGTWOLVEB-DEOSSOPVSA-N 462.981 5.680 50 10 JKGE COc1ccc(-c2nn(-c3ccccc3Cl)c3c2[C@@H](c2cccc(F)c2)C(C#N)=C(N)O3)cc1 1865711483 ZOOXOABQBZDSQH-QFIPXVFZSA-N 472.907 5.559 50 10 JKGE Cc1ccc(OCCCC(=O)NNC(=O)c2ccc(-c3ccc(Cl)c(Cl)c3)nc2C)cc1 1865759214 ODHJFJMBLWBGNY-UHFFFAOYSA-N 472.372 5.292 50 10 JKGE Cc1nc(-c2ccc(Cl)c(Cl)c2)ccc1C(=O)N/N=C\c1ccc(F)c(Br)c1 1865762401 DEKVWRWVKSYNJV-MRUKODCESA-N 481.152 6.029 50 10 JKGE CSCC[C@H](NC(=O)C[C@@H](c1ccccc1)C1CC1)C(=O)Nc1ccc(SC#N)cc1 1866731818 WPVMIONNRZUHLF-VXKWHMMOSA-N 453.633 5.020 50 10 JKGE C[C@H](CC(=O)N[C@H](C(=O)Nc1ccc(SC#N)cc1)c1ccccc1)c1cccc(Cl)c1 1867186770 GUEKXHKBDWAGHH-OSPHWJPCSA-N 463.990 5.903 50 10 JKGE CC(C)c1nc(Nc2ccc(SC#N)cc2)cc(N2CCN([C@H](C)c3cccs3)CC2)n1 1868231297 BPWWVTDAMFYLGE-GOSISDBHSA-N 464.664 5.861 50 10 JKGE COc1cc2nc(/C(C#N)=C/c3cccc(OCc4cccc(Cl)c4)c3)nc(O)c2cc1OC 1872727538 IONNWVBSDBRFCU-GIJQJNRQSA-N 473.916 5.649 50 10 JKGE N#C/C(=C(/O)CN1C(=O)COc2ccc(Cl)cc21)c1nc(-c2ccc(Cl)cc2)cs1 1872748167 LKEYSBFUQKSIDF-SDXDJHTJSA-N 458.326 5.335 50 10 JKGE CC[C@@H](C)[C@H](/C(O)=C(\C#N)c1nc(-c2ccc(F)cc2)cs1)N1C(=O)c2ccccc2C1=O 1872753187 LFBBLLMJLNCFND-UCNANMCJSA-N 461.518 5.453 50 10 JKGE CCCCCCCOc1ccc(-c2csc(/C(C#N)=C(\O)c3cc(Cl)ccc3Cl)n2)cc1 1872753367 UAXRRKTXORDTIV-FLFQWRMESA-N 487.452 8.416 50 10 JKGE CC[C@H](C)N1C(=O)c2ccc(/C(O)=C(\C#N)c3nc(-c4cc(C(C)(C)C)ccc4C)cs3)cc2C1=O 1872756064 QQYFGTRHRUVRHY-KZIRDTCISA-N 499.636 6.760 50 10 JKGE CCCCCCCOc1ccc(-c2csc(/C(C#N)=C/c3ccc(Br)cc3)n2)cc1 1872791304 FZFPYJASINEAIM-LTGZKZEYSA-N 481.459 7.986 50 10 JKGE COc1cc(/C=C(\C#N)c2nc(-c3ccc(C(C)C)cc3)cs2)ccc1OCc1ccc(C)cc1 1872791443 JIDWMQWICUEMFG-CVKSISIWSA-N 480.633 7.894 50 10 JKGE COc1ccc(OC)c(-c2csc(/C(C#N)=C/c3ccc(OCc4ccc(C)cc4)c(OC)c3)n2)c1 1872791837 VBJIZIBJHWFNQJ-LPYMAVHISA-N 498.604 6.788 50 10 JKGE COc1ccc(-c2csc(/C(C#N)=C/c3cc4c(cc3[N+](=O)[O-])OCCO4)n2)c2ccccc12 1872795018 IPTHAWAFWDVZLP-MHWRWJLKSA-N 471.494 5.715 50 10 JKGE COc1ccc(-c2csc(/C(C#N)=C/c3ccc(OC(=O)c4ccccc4)cc3)n2)c2ccccc12 1872795123 OPBNMZIPEBUYDQ-OQKWZONESA-N 488.568 7.255 50 10 JKGE O=C(c1cc(Br)sc1Br)N1CC[C@]2(CCC[C@H]2Br)C1 1918915988 KUCCIMISUGFDQY-NOZJJQNGSA-N 472.040 5.053 50 10 JKGE FC(F)(F)c1cc(Cl)ccc1[C@H](Cl)c1sc(Br)cc1Br 1922882981 BMKHYHLCKLTJST-JTQLQIEISA-N 468.947 7.274 50 10 JKGE Cc1c(Br)sc([C@@H](Cl)c2cccc(Br)c2)c1Br 1922932288 KJPKPNHTHYAKLA-JTQLQIEISA-N 459.428 6.672 50 10 JKGE Clc1ccc(Br)cc1[C@@H](Cl)c1sc(Br)cc1Br 1922939098 GQJSTAMEFFXFTL-SNVBAGLBSA-N 479.846 7.017 50 10 JKGE Cc1ccccc1C[C@H](Br)c1c(Br)sc(Br)c1Cl 1923050468 VNKCOBFVLKIPQO-VIFPVBQESA-N 473.455 6.914 50 10 JKGE FC1(F)[C@H]([C@H](Br)c2c(Br)sc(Br)c2Cl)C12CC2 1923071387 ISDYTFKBVOGRKI-INEUFUBQSA-N 471.386 6.408 50 10 JKGE C[C@@H](c1ccccc1)[C@H](Cl)c1c(Br)sc(Br)c1Br 1924585354 KTMXEVRKUDNZLK-CPCISQLKSA-N 473.455 7.119 50 10 JKGE Cc1csc([C@H](Cl)c2c(Br)sc(Br)c2Br)c1 1924605913 YMTNEXCYOJEQPX-QMMMGPOBSA-N 465.457 6.734 50 10 JKGE CC(C)[C@H](Br)C(=O)Nc1cc(Br)c(Br)c(Br)c1 1946446393 YCTLJBJJBGUZOW-VIFPVBQESA-N 492.831 5.332 50 10 JKGE C[C@]1(F)C[C@H]([C@H](Cl)c2c(Br)sc(Br)c2Br)C1 1992296894 AGYGINSFNONNJB-AYPRXHQESA-N 455.412 6.454 50 10 JKGE C[C@]1(F)C[C@H]([C@H](Br)c2c(Br)sc(Br)c2Br)C1 1992298476 SXJHIUWSKXKLIG-FVRSJOBKSA-N 499.863 6.610 50 10 JKGE CC(F)(F)CCC[C@@H](Br)c1c(Br)sc(Br)c1Cl 2023310193 DVLWKSGEHAYJHQ-RXMQYKEDSA-N 475.418 7.188 50 10 JKGE C[C@@H](Br)[C@H]1CCCCN1C(=O)c1csc(Br)c1Br 2032958417 CXEROGUVYITCFU-VXNVDRBHSA-N 460.029 5.051 50 10 JKGE COc1cc([C@@H](Br)c2cc(Br)c(C)s2)ccc1Br 2072061633 SMABQMCBRZOJPN-CYBMUJFWSA-N 455.009 6.074 50 10 JKGE Brc1cc([C@H](Br)[C@@H]2C[C@@H]2C2CCCCC2)c(Br)s1 2079384643 ITWYIDWXROZUGJ-GIPNMCIBSA-N 457.069 6.926 50 10 JKGE CCN(C[C@](C)(CI)OC[C@H]1C[C@H]1C1CCCC1)C(=O)OC(C)(C)C 2079995894 PEYJQZQLQHJYKF-UWVAXJGDSA-N 465.416 5.280 50 10 JKGE CC[C@]12CO[C@]([C@H](Cl)c3c(Br)sc(Br)c3Br)(C1)C2 2084491561 UUTZBBMSCFJGHP-FXAINCCUSA-N 479.459 6.275 50 10 JKGE COc1ccc([C@@H](Br)Cc2ccccc2I)c(Br)c1 2087570664 UOSDFOPROXLSME-ZDUSSCGKSA-N 495.980 5.741 50 10 JKGE Cc1cc(Br)c([C@H](Br)[C@@H]2C[C@@H]3CCCC[C@@H]32)cc1Br 2089189008 SQRNIVFQDPWPRA-PVTKRXDGSA-N 451.040 6.782 50 10 JKGE Fc1ccc(Br)c(Oc2c(CBr)ccc(Br)c2Cl)c1 2098117040 LZVRSBBRCKLREY-UHFFFAOYSA-N 473.361 6.691 50 10 JKGE FC1(F)C[C@]12CCC[C@@H]([C@@H](Br)c1cc(Br)sc1Br)C2 2099910969 IOEJAUFLMBWYIM-NYRNMGCKSA-N 479.022 6.925 50 10 JKGE CC(C)(C)OC(=O)NCCCC[S@@](C)(=O)=NCC1(CBr)CCCCCC1 2110302725 JNXHLCAFBPBNIH-AREMUKBSSA-N 453.487 5.125 50 10 JKGE FC1(F)CCC(CBr)(Cc2cc(Cl)ccc2I)CC1 2121100430 HSMNZRITZUWZRM-UHFFFAOYSA-N 463.531 6.078 50 10 JKGE Clc1ccc(I)c(C[C@@H]2C[C@@H](Br)CC3(CCC3)C2)c1 2127185510 GJGHTZITJZULAW-DGCLKSJQSA-N 453.589 6.221 50 10 JKGE FC(F)(C1CCOCC1)[C@@H](Br)c1cc(Br)ccc1Br 2128895806 JQUPYMFNONVSQY-LBPRGKRZSA-N 462.954 5.710 50 10 JKGE Cc1cc(Br)c(C)c([C@H](Br)CC[C@H]2CC2(C)C)c1Br 2136369444 JTGYTLAWIKHQKD-NWDGAFQWSA-N 453.056 7.091 50 10 JKGE Fc1cc(Br)c([C@@H](Br)c2ccc(Br)cc2)c(F)c1Cl 2136967199 RJERXGDFOLICBW-NSHDSACASA-N 475.352 6.628 50 10 JKGE Cc1c(Br)ccc([C@@H](Br)Cc2ccccc2Cl)c1Br 2138852114 MKQONCPOOBJIQX-ZDUSSCGKSA-N 467.426 6.852 50 10 JKGE Cc1c(Br)ccc([C@@H](Br)C(C)(C)C2CCCC2)c1Br 2138862333 JLCTXJPEAVYLDH-OAHLLOKOSA-N 453.056 7.172 50 10 JKGE CC1(C)CC2(CC([C@@H](Br)c3ccc(Br)cc3Br)C2)C1 2138866544 UQIRJHCEDDYJJG-CQSZACIVSA-N 451.040 6.864 50 10 JKGE Cc1c(Br)ccc([C@H](Br)[C@@H]2CC3(CCC3)CO2)c1Br 2138870052 GAVMQLPQRUJZAO-JSGCOSHPSA-N 453.012 5.915 50 10 JKGE Cc1c(Br)ccc([C@@H](Br)C2CC(CC3CC3)C2)c1Br 2138870925 LLDUWQRVYMJUMW-PPUFBPAQSA-N 451.040 6.782 50 10 JKGE Fc1cc(OCc2ccc(I)c(Cl)c2)ccc1CBr 2142949083 GRBNJTFNIUUZIE-UHFFFAOYSA-N 455.492 5.558 50 10 JKGE ClCc1nc2cnccc2n1-c1cc(Br)c(Br)c(Br)c1 2151779008 DGYAROCGKIWJMU-UHFFFAOYSA-N 480.385 5.447 50 10 JKGE COCCCCN(Cc1ccccc1)S(=O)(=O)c1ccc(Cl)c(CBr)c1Cl 2179831324 VTRUIEKKKLBGPU-UHFFFAOYSA-N 495.266 5.506 50 10 JKGE COc1cc(Br)ccc1[C@H](Br)c1cc(Br)c(Cl)cc1C 2202350480 DVOFOSLJCMOZPM-HNNXBMFYSA-N 483.425 6.666 50 10 JKGE COc1cc(Cl)c([C@H](Br)Cc2cccc(Br)c2)cc1Br 2202351729 KBBFMIZCTUVDKX-GFCCVEGCSA-N 483.425 6.552 50 10 JKGE C[C@@H](Cl)c1nc2cc(I)ccc2n1C[C@]1(Br)CC1(F)F 2202504614 KJUNNRKBRFLCDI-JMCQJSRRSA-N 475.502 5.113 50 10 JKGE Cc1cc(Br)c([C@@H](Br)C2CC(Br)C2)c(C)c1Br 2214651818 DCTWIGXGKMYOJO-RPTIHFLNSA-N 489.871 6.438 50 10 JKGE Clc1cc(Br)ccc1C[C@H](Cl)c1ccccc1I 2221693465 QASPZXPLCPLFHM-ZDUSSCGKSA-N 455.948 6.230 50 10 JKGE Cc1ccc(I)c([C@H](Br)Cc2ncccc2Br)c1 2224056560 YUVWUVRJRSQGJC-GFCCVEGCSA-N 480.969 5.436 50 10 JKGE CC(C)(F)[C@](C)(F)[C@@H](Br)c1c(Br)cc(Cl)c(Cl)c1Cl 2224304597 KXIRJYCCBDPIMF-CMPLNLGQSA-N 459.383 7.322 50 10 JKGE CCC[C@H](C(C)C)[C@@H](Br)c1c(Br)cc(Cl)c(Cl)c1Cl 2224316845 IDSTUSHAGPRKNL-PRHODGIISA-N 451.457 7.918 50 10 JKGE CCOCc1cc(Br)c([C@@H](Br)c2cc(Br)n(C)n2)s1 2224803906 IOJJAKAPFNRAIG-NSHDSACASA-N 473.028 5.027 50 10 JKGE Cc1cc(Br)c([C@H](Br)[C@@]2(C)CCCCO2)c(C)c1Br 2227359507 ISLSIPBWJBLVFK-LSDHHAIUSA-N 455.028 6.224 50 10 JKGE Cc1cc(Br)c([C@H](Br)C23CC(C)(C2)O[C@@H]3C)c(C)c1Br 2235603963 DDQYDKUJVJJFSF-FQPAUYLKSA-N 467.039 6.222 50 10 JKGE Cc1sc(CN(C)c2ccc(CBr)c(Br)c2)c(Br)c1C 2237725022 OQCPSCZSGBSVCA-UHFFFAOYSA-N 482.079 6.421 50 10 JKGE Cl[C@H](c1cccc(Br)c1Br)c1ccc2c(c1Br)CCO2 2238078049 ZHMKMJWPILVEER-OAHLLOKOSA-N 481.409 6.237 50 10 JKGE Cc1cc(Cl)c(Cl)cc1[C@@H](Br)c1cc(I)sn1 2246345528 MLJPIAIJRUDNBG-LLVKDONJSA-N 462.965 5.847 50 10 JKGE COC[C@]1(C)C[C@H]1[C@@H](Br)c1c(C)c(Br)cc(C)c1Br 2269277289 BXKATWILBGNCRE-VQISRLSMSA-N 455.028 5.937 50 10 JKGE COc1ccc(C[C@@H](Br)c2c(F)cccc2I)cc1F 2282778728 UKPOHDXEMRVHHZ-SNVBAGLBSA-N 453.064 5.257 50 10 JKGE O=C(Nc1ccccc1CCBr)c1ccc(Cl)c(I)c1 2283665399 NFKPRGGXSGNZNB-UHFFFAOYSA-N 464.528 5.134 50 10 JKGE COc1c([C@H](Br)c2c(Br)cc(F)c(Cl)c2F)csc1Cl 2284307388 AILXISPSWDSWOA-QMMMGPOBSA-N 466.956 6.589 50 10 JKGE Clc1ccc(I)cc1O[C@@H]1C[C@@H](Br)C12CCCCCC2 2288258368 VOWZZIAECDFZCS-HUUCEWRRSA-N 469.588 6.200 50 10 JKGE COc1cc(C=C(C#N)C(=O)Nc2ccc(C)c(C)c2)ccc1OCC(=O)Nc1ccc(C)cc1 2293509176 FSVPBMSSZBUSFS-UHFFFAOYSA-N 469.541 5.184 50 10 JKGE N#CC(=Cc1ccc(-c2ccc(Cl)cc2Cl)o1)C(=O)NCCc1c[nH]c2ccccc12 2293724485 HDUOYIBAVLBGJT-UHFFFAOYSA-N 450.325 6.001 50 10 JKGE N#CC(=Cc1cn(Cc2cccc(Br)c2)c2ccccc12)S(=O)(=O)c1ccccc1 2295561140 KVCWMKSRXLLKSL-UHFFFAOYSA-N 477.383 5.790 50 10 JKGE COc1cccc(-c2csc(C(C#N)=Cc3ccc(OCc4ccccc4)c(OC)c3)n2)c1 2296042364 CTSBMFVDBHLSMV-UHFFFAOYSA-N 454.551 6.470 50 10 JKGE Cc1ccccc1NC(=O)C(C#N)=Cc1ccc(OC(=O)c2ccc(Br)cc2)cc1 2297399766 SMOYQPJWTPNPQB-UHFFFAOYSA-N 461.315 5.522 50 10 JKGE C[C@@H]1CCO[C@H]1C[C@@H](Br)c1ccc(OCc2ccccc2)cc1Br 2299489147 MVJVMGLYJQODAX-XMCHAPAWSA-N 454.202 6.279 50 10 JKGE Cn1cnc(Br)c1[C@H](Br)c1c(Cl)sc(Br)c1Cl 2300267189 GZJWIACHHZQXMG-SCSAIBSYSA-N 483.838 5.798 50 10 JKGE Cc1scc([C@@H](Br)c2sc(C)c(Br)c2C)c1Br 2303637277 IREDHMYCIVSBMY-LLVKDONJSA-N 459.066 6.744 50 10 JKGE CCOc1cc(C=C(C#N)C(=O)Nc2ccc(Cl)cc2)ccc1OCc1ccc(Cl)cc1 2313631648 TYSBURBDHRVISR-UHFFFAOYSA-N 467.352 6.517 50 10 JKGE CCc1ccc(NC(=O)C(C#N)=Cc2cc(Cl)ccc2OCc2cccc(Cl)c2)cc1 2313730306 MOQGSMAGEXAVEB-UHFFFAOYSA-N 451.353 6.680 50 10 JKGE Clc1ccccc1C[C@@H](Br)c1cc(Br)ccc1OCc1ccccc1 2314447899 CLTDETYSGZFPNY-LJQANCHMSA-N 480.627 7.360 50 10 JKGE COc1ccc(N2C(=O)[C@@H](Cc3ccccc3C)SC2=C(C#N)C(=O)N[C@@H](C)c2ccccc2)cc1 2314593792 SWOAEVLIVNZHFZ-RXFWQSSRSA-N 497.620 5.307 50 10 JKGE COc1ccc(N2C(=O)[C@@H](Cc3cccc(C)c3)SC2=C(C#N)C(=O)N[C@@H](C)c2ccccc2)cc1 2314593807 TZGAHOWETQTCMD-RXFWQSSRSA-N 497.620 5.307 50 10 JKGE CCCCCCCCOc1ccc(C=C2C(=O)N(CCCOC)C(=O)C(C#N)=C2C)cc1OC 2314618500 OPGYISDKAAYYQH-UHFFFAOYSA-N 468.594 5.063 50 10 JKGE CC1=C(C#N)C(=O)N(CCCOC(C)C)C(=O)C1=Cc1ccc(-c2ccc(Cl)c(Cl)c2)o1 2314618581 PYSJNMNVKLVUOP-UHFFFAOYSA-N 473.356 5.661 50 10 JKGE COc1cc(C=C(C#N)c2ccc(Cl)cc2)ccc1OC(=O)CCCOc1ccc(C(C)C)cc1 2314773827 DPTFXXXPIYBTEI-UHFFFAOYSA-N 489.999 7.301 50 10 JKGE Cc1cc(Br)c([C@@H](Cl)c2c(Br)ncn2C)cc1Br 2315588683 GDISWBCRIXWGIY-SNVBAGLBSA-N 457.391 5.344 50 10 JKGE Fc1c(Br)cc(Cl)c([C@H](Cl)c2cnsc2Br)c1Br 2315641178 HTVHPFJLISNEHL-MRVPVSSYSA-N 498.824 6.551 50 10 JKGE Clc1cc(I)c([C@@H](Br)C2Cc3ccccc3C2)s1 2316599611 SSGGMRCYRSBGND-ZDUSSCGKSA-N 453.570 5.857 50 10 JKGE N#CC(=Cc1ccc(OC(=O)c2ccc(S(=O)(=O)N3CCCC3)cc2)cc1)c1cccc(Cl)c1 2320506752 QSTYDMAJPFLGJD-UHFFFAOYSA-N 492.984 5.408 50 10 JKGE Cc1ccc(-c2ccc(C(=O)NNC(=O)C=Cc3cccc(OCc4ccccc4)c3)c(C)n2)cc1C 2321103751 YNFLRLYVZKMXDS-UHFFFAOYSA-N 491.591 5.727 50 10 JKGE O=C(COc1ccc(C(=O)NC2CCCCC2)cc1)NN=Cc1ccc(-c2ccccc2Cl)o1 2321697705 JYZVYONNGNJION-UHFFFAOYSA-N 479.964 5.192 50 10 JKGE COc1cc(C=NNC(=O)c2ccc(C)cc2)ccc1OCc1ccc(Br)cc1 2323075848 AQXPOYCJSSTQRR-UHFFFAOYSA-N 453.336 5.109 50 10 JKGE BrC[C@@H](COCc1ccc(I)c(Br)c1)C1CCC1 2325385958 HUIKHCFYIQYKAB-LBPRGKRZSA-N 488.001 5.382 50 10 JKGE BrCc1cc(Br)c(OC[C@@H]2C[C@@H]3CC[C@H]2O3)c(Br)c1 2329963048 SJTXUPLUTCFYFD-OUJBWJOFSA-N 454.984 5.053 50 10 JKGE C[C@H](C(O)=C(C#N)c1nc(-c2ccc3c(c2)CCCC3)cs1)N1C(=O)c2ccccc2C1=O 2331240025 HOPVEPNETDHDDY-OAHLLOKOSA-N 455.539 5.166 50 10 JKGE COc1ccc(C=CC(O)=C(C#N)c2nc(-c3ccc(Cl)cc3Cl)cs2)cc1OC 2331251468 VBYMIJNRKXFJLB-UHFFFAOYSA-N 459.354 6.640 50 10 JKGE CCCOc1ccc(-c2csc(C(C#N)=C(O)[C@@H](C)Oc3ccc(Cl)cc3)n2)cc1OCCC 2331293455 NILVHLHJPXXVKU-QGZVFWFLSA-N 499.032 7.301 50 10 JKGE COc1ccc(OC)c(-c2csc(C(C#N)=C(O)c3c(Cl)ccc(Cl)c3Cl)n2)c1 2331325922 DCFXWMBZJMRIEU-UHFFFAOYSA-N 467.761 6.737 50 10 JKGE COc1c(Cl)cc(Cl)cc1-c1csc(C(C#N)=C(O)c2cc(Cl)ccc2Cl)n1 2331364224 TZPMBSQFHOARAS-UHFFFAOYSA-N 472.180 7.382 50 10 JKGE CCOc1ccc(-c2csc(C(C#N)=C(O)c3cc(Cl)ccc3Cl)n2)c(OCC)c1 2331389111 SSDQLDJOFFYMOX-UHFFFAOYSA-N 461.370 6.864 50 10 JKGE COc1c(C)cc(Cl)cc1-c1csc(C(C#N)=C(O)C=Cc2ccc([N+](=O)[O-])cc2)n1 2331392337 SGHOIZGPNWSNBJ-UHFFFAOYSA-N 453.907 6.195 50 10 JKGE COc1cc(C)c(-c2csc(C(C#N)=C(O)C=Cc3ccc(Cl)cc3Cl)n2)cc1C 2331402842 XOWBFFJXQOBGJM-UHFFFAOYSA-N 457.382 7.248 50 10 JKGE Fc1cc(Cl)c(Br)c(Cl)c1[C@H](Cl)c1ccc(OCc2ccccc2)cc1 2335302778 SPHWDOIKKJVMEM-LJQANCHMSA-N 474.584 7.802 50 10 JKGE Cc1cc(C)c([C@@H](Br)c2cc(Br)ccc2OCc2ccccc2)c(C)c1 2336046979 IPRKLGXPTOQCQG-QHCPKHFHSA-N 474.236 7.438 50 10 JKGE Fc1c(Br)cc(Cl)c([C@@H](Cl)c2ccccc2Br)c1Br 2337082859 QVXRCLZJVSAWPK-LBPRGKRZSA-N 491.807 7.095 50 10 JKGE Cc1cc(Br)c(F)c(Br)c1[C@H](Br)C(C)(C)C(C)(F)F 2339676636 ACHUNXFGFQPXQG-NSHDSACASA-N 466.961 6.777 50 10 JKGE COCCC1([C@H](Br)c2c(C)cc(Br)c(F)c2Br)CC1 2339680814 AUVVNEWUJQFWAS-CYBMUJFWSA-N 458.991 5.912 50 10 JKGE CCc1cc(Br)c(OC)c([C@H](Br)c2ccoc2Br)c1 2353040552 RTMUGPAMOJHOEH-GFCCVEGCSA-N 452.968 5.860 50 10 JKGE Cc1cc(Br)c([C@@H](Br)[C@H]2[C@@H]3[C@H]2CCC3(F)F)c(C)c1Br 2358672872 DLLMFTAOTAQTGU-RBQWDTSBSA-N 472.993 6.556 50 10 JKGE Cc1ccc(CBr)c(OCc2ccc(Cl)c(Br)c2)c1Br 2381128038 NZEPAZIBLMNCGE-UHFFFAOYSA-N 483.425 6.647 50 10 JKGE COc1ccc(/C(C#N)=C\c2ccc(OC(=O)c3ccc(C(F)(F)F)cc3)cc2)cc1OC 31901149 UOJQLZGPBXASDY-UYRXBGFRSA-N 453.416 6.006 50 10 JKGE CCCCOc1ccc(/C=C(/C#N)c2nc(-c3cc4ccccc4oc3=O)cs2)cc1OC 33471693 KHTDBRQKEIUNOF-UNOMPAQXSA-N 458.539 6.168 50 10 JKGE Cc1ccc(-c2ccc(/C=C(/C#N)c3nc(-c4cccc5ccccc45)cs3)o2)c([N+](=O)[O-])c1 35568739 GVFFREMBTRMTLQ-RGEXLXHISA-N 463.518 7.504 50 10 JKGE CCCCCN1C(=O)C(C#N)=C(C)/C(=C\c2ccc(OCc3ccccc3F)c(OC)c2)C1=O 38603974 KVYHFCNQPGQCCK-KGENOOAVSA-N 462.521 5.196 50 10 JKGE CCCCOc1ccccc1C(=O)Oc1ccc2c(c1)OC(N)=C(C#N)[C@@H]2c1ccccc1OCC 38650567 CJQKTDIAVIFDKV-HHHXNRCGSA-N 484.552 5.702 50 10 JKGE CC(C)c1ccc(O[C@H](C)C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@H]3c2cccc(Cl)c2)cc1 38651254 GOCHTLBPNCCDFU-QUGAMOGWSA-N 488.971 6.054 50 10 JKGE CCCCOc1ccccc1[C@H]1C(C#N)=C(N)Oc2cc(OC(=O)Cc3ccccc3)ccc21 38683151 NQXQFHAQHWTDDT-HHHXNRCGSA-N 454.526 5.232 50 10 JKGE C=CCOc1cccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)COc4ccccc4Cl)ccc32)c1 38684551 ZDJRFCOUSODSHA-AREMUKBSSA-N 488.927 5.107 50 10 JKGE CCCCOc1ccccc1C(=O)Oc1ccc2c(c1)OC(N)=C(C#N)[C@H]2c1ccc(OCC)cc1 38685951 FSHSKJWOZJUTIQ-MHZLTWQESA-N 484.552 5.702 50 10 JKGE CC(C)c1ccc(Nc2ncnc(NNC(=O)c3ccc(Cl)cc3Cl)c2[N+](=O)[O-])cc1 40594698 IOGPXHTVQYLJOC-UHFFFAOYSA-N 461.309 5.316 50 10 JKGE O=C(CSc1nc2ccc([N+](=O)[O-])cc2s1)N/N=C/c1cccc(Oc2ccccc2)c1 58987334 SMIKFDSRUNVDHI-YDZHTSKRSA-N 464.528 5.239 50 10 JKGE Fc1cc2c(cc1I)nc(CCCl)n2Cc1ccc(Cl)s1 97409322 MVZVVBYPNRBYKQ-UHFFFAOYSA-N 455.123 5.325 50 10 JKGE COc1cc(N/C=C(\C#N)c2nc(-c3ccc(Cl)cc3Cl)cs2)c(OC)cc1Cl 100331341 NYXABUQRTDDMAV-PKNBQFBNSA-N 466.777 6.764 50 10 JKGE CCCCCCCOc1ccc(/C=C2/C(=O)N(Cc3ccccc3)C(=O)C(C#N)=C2C)cc1OCC 101335131 ZIKVNXYNQFLNNK-XIEYBQDHSA-N 486.612 6.227 50 10 JKGE COc1cc(Br)c([C@H](Br)c2cc(F)cc(Br)c2)cc1OC 109860110 POFVLUZWIKVFOF-OAHLLOKOSA-N 482.969 5.852 50 10 JKGE O=C(N[C@@H]1c2ccccc2C[C@H]1Br)c1cc(Br)c(Br)s1 123755708 AQJLYWFWTSHLNF-BXKDBHETSA-N 480.019 5.064 50 10 JKGE Cc1cc(Br)c([C@H](Br)c2ccc(Cl)cc2Cl)cc1Br 128769346 NNACXXZMFPDAFJ-CQSZACIVSA-N 487.844 7.311 50 10 JKGE COc1cc(F)c(Br)cc1[C@@H](Cl)c1cccc(C)c1I 234880488 KSYJAEOUGYNMJP-AWEZNQCLSA-N 469.519 5.838 50 10 JKGE Cc1cc(Cl)c([C@@H](Br)c2cc(Cl)ccc2I)cc1C 235839303 JUWLYCWHDGWINZ-OAHLLOKOSA-N 469.975 6.699 50 10 JKGE Cc1cc([C@H](Br)c2ccc(F)c(Br)c2)c(C)cc1Br 235864250 KIJFATMECSEFDB-OAHLLOKOSA-N 450.971 6.452 50 10 JKGE CC(=NNC(=O)c1cc2ccccc2cc1O)c1ccc(NC(=O)c2ccc(Cl)cc2)cc1 254698545 NIEKYKGPURFTFR-UHFFFAOYSA-N 457.917 5.605 50 10 JKGE O=C(NN=Cc1cn(Cc2ccc3ccccc3c2)c2ccccc12)c1cc2c(ccc3ccccc32)o1 254736700 RDTFHCIKMVHHGY-UHFFFAOYSA-N 493.566 7.506 50 10 JKGE CC1(C)[C@]2(C)CC[C@@]1(C(=O)Nc1cc(Cl)c(Cl)cc1Cl)[C@@H](Br)C2=O 256019360 WKUDTMOYLFZSLK-VUCTXSBTSA-N 453.591 5.744 50 10 JKGE O=C(OCc1ccccc1)N1C[C@H](c2cc(Br)cc(Br)c2)[C@@H](CCl)C1 382730588 UHMYWEIJTZJJJB-MAUKXSAKSA-N 487.619 5.803 50 10 JKGE Clc1ccc(I)c(C[C@H](CBr)Cc2ccccc2Cl)c1 405542424 SZHGWWJUNFYOQJ-LLVKDONJSA-N 484.002 6.394 50 10 JKGE CCN1C=CC=C/C1=C\C=C1C=CC(=N[P+](c2ccccc2)(c2ccccc2)c2ccccc2)C=C1 585658552 AZKQSWYZVAAKPN-WEVRVWOGSA-N 485.591 6.678 50 10 JKGE CC1(C)C[C@H](NC(=O)c2ccc(Br)cc2Br)C[C@H](Br)C1 693892264 KBOXQDMBOQBVQM-WDEREUQCSA-N 468.027 5.284 50 10 JKGE CCOc1ccc(C)cc1[C@@H](Br)c1scc(Br)c1Br 705462333 FPLCVLPIBIXIGD-GFCCVEGCSA-N 469.036 6.465 50 10 JKGE BrCC(CBr)(Cc1ccccc1)Cc1sncc1Br 719870466 HXSVXPNUMCBSSY-UHFFFAOYSA-N 468.052 5.467 50 10 JKGE CN(C[C@@H]1CCCCN1Cc1ccccc1)c1cc(Br)ccc1CBr 720016433 JWQFUVSHOQQPPW-FQEVSTJZSA-N 466.261 5.835 50 10 JKGE Cl[C@@H](c1ccc(I)c(Br)c1)c1ccc2c(c1)OCCO2 721570705 ATTOIVCAJBIWQJ-HNNXBMFYSA-N 465.512 5.153 50 10 JKGE Cc1cc(F)c([C@@H](Cl)c2ccc(I)c(Br)c2)cc1C 721607733 CSNKVAFMBLYENZ-HNNXBMFYSA-N 453.520 6.138 50 10 JKGE CCc1ccc(NC(=O)C(=O)NN=Cc2cc(Br)ccc2Nc2ccccc2Cl)cc1 1084508903 SFIQTQUXEUGIKC-UHFFFAOYSA-N 499.796 5.497 50 10 JKGE Cc1ccccc1C(=O)NN=C1CCCc2oc(C(=O)Oc3ccc4ccccc4c3)c(C)c21 1772743633 HDEGIMGKDZMCMP-UHFFFAOYSA-N 452.510 5.739 50 10 JKGE Cc1c(C(=O)Nc2ccccc2Br)oc2c1C(=NNC(=O)c1ccccc1)CCC2 1772745012 QEPRBFAHTOGVRS-UHFFFAOYSA-N 466.335 5.073 50 10 JKGE Cc1c(C(=O)N2c3ccc(F)cc3CC[C@@H]2C)oc2c1C(=NNC(=O)Cc1ccccc1)CCC2 1772748765 NUWWHAGNAHAWFP-KRWDZBQOSA-N 473.548 5.108 50 10 JKGE Cc1ccc(-n2nc(-c3ccccc3)c3c2OC(N)=C(C#N)[C@H]3c2cccc3ccccc23)cc1 1865682008 CZOQJZIKDYGVDQ-AREMUKBSSA-N 454.533 6.219 50 10 JKGE N#CC1=C(N)Oc2c(c(-c3ccccc3)nn2-c2ccc(Cl)cc2)[C@H]1c1ccc(Cl)c(Cl)c1 1865685498 JTCHGEUNNPEIRT-NRFANRHFSA-N 493.781 6.718 50 10 JKGE CCCOc1c(OC)cccc1[C@H]1C(C#N)=C(N)Oc2c1c(C)nn2Cc1ccc(Cl)c(Cl)c1 1865693849 QZEGCUDDAXUAGK-QFIPXVFZSA-N 499.398 5.562 50 10 JKGE COc1ccc(-c2nn(-c3ccc(Cl)cc3)c3c2[C@H](c2cccs2)C(C#N)=C(N)O3)cc1 1865697978 HJRJOKICLVUSJF-FQEVSTJZSA-N 460.946 5.481 50 10 JKGE COc1ccc(-c2nn(Cc3ccccc3Cl)c3c2[C@@H](c2sccc2C)C(C#N)=C(N)O3)cc1 1865698922 GGBOCUZINPSGJO-NRFANRHFSA-N 489.000 5.849 50 10 JKGE CCCc1nn(Cc2cccc(F)c2)c2c1[C@H](c1ccc(N(CC)CC)cc1)C(C#N)=C(N)O2 1865701809 FYSYKRJGZFAGHD-XMMPIXPASA-N 459.569 5.087 50 10 JKGE Cc1nn(Cc2ccc(Cl)cc2)c2c1[C@H](c1cc(Br)ccc1F)C(C#N)=C(N)O2 1865702141 NRYHDVBBCWDBNQ-LJQANCHMSA-N 473.733 5.013 50 10 JKGE N#CC1=C(N)Oc2c(c(-c3ccccc3)nn2Cc2c(F)cccc2Cl)[C@@H]1c1ccc(F)cc1F 1865702509 WJISZNJMDUJSGQ-JOCHJYFZSA-N 492.888 5.887 50 10 JKGE CCCOc1ccccc1[C@@H]1C(C#N)=C(N)Oc2c1c(CC)nn2-c1ccc(Br)cc1 1865703269 RXWJEXCHFLJBTF-OAQYLSRUSA-N 479.378 5.204 50 10 JKGE N#CC1=C(N)Oc2c(c(C(F)(F)F)nn2-c2ccccc2Cl)[C@H]1c1ccc(Cl)c([N+](=O)[O-])c1 1865706060 MRCQRMUIDREXIE-HNNXBMFYSA-N 496.232 5.324 50 10 JKGE COc1ccc([C@@H]2C(C#N)=C(N)Oc3c2c(-c2ccccc2)nn3Cc2cccc(Cl)c2)cc1 1865713060 PYPAIEGXEIBLDX-HSZRJFAPSA-N 468.944 5.479 50 10 JKGE Cc1nc(-c2ccc(Cl)c(Cl)c2)ccc1C(=O)NNC(=O)c1ccc(Cl)c(Cl)c1 1865758940 BCSPFHZFUCYWRD-UHFFFAOYSA-N 469.155 5.745 50 10 JKGE CCCC[C@@H](NC(=O)CCc1csc(-c2ccccn2)n1)C(=O)Nc1ccc(SC#N)cc1 1867056095 KADOVPJKTBSOJK-HXUWFJFHSA-N 479.631 5.025 50 10 JKGE C[C@H]1CN(c2cc(Nc3ccc(SC#N)cc3)nc(-c3cccnc3)n2)C[C@H](c2ccc(F)cc2)O1 1868565062 GXDKMUIGAMXPAQ-MHECFPHRSA-N 498.587 5.961 50 10 JKGE COc1ccc(-c2csc(/C(C#N)=C(\O)c3cc([N+](=O)[O-])cc([N+](=O)[O-])c3C)n2)cc1C 1872746596 OXAPUNVMOIDIEP-SILNSSARSA-N 452.448 5.202 50 10 JKGE CCCCCCCOc1ccc(-c2csc(/C(C#N)=C(\O)c3ccc(C(C)(C)C)cc3)n2)cc1 1872753383 USSFBKOBBSODSG-RFBIWTDZSA-N 474.670 8.407 50 10 JKGE Cc1ccc(C(C)(C)C)cc1-c1csc(/C(C#N)=C(\O)c2ccccc2Br)n1 1872755767 FCWXHBAYBHNASC-UZYVYHOESA-N 453.405 7.128 50 10 JKGE COc1cc(C)c(-c2csc(/C(C#N)=C(\O)c3c(Cl)ccc(Cl)c3Cl)n2)cc1C 1872758263 SSLGKHXWJJZYHL-MOSHPQCFSA-N 465.789 7.346 50 10 JKGE CCCCCOc1c(Br)cc(/C=C(\C#N)c2nc(-c3cccs3)cs2)cc1OC 1872791438 HWPIVQXNFFGEMY-MHWRWJLKSA-N 489.460 7.276 50 10 JKGE COc1cc(/C=C(\C#N)c2nc(-c3cc(C(C)(C)C)ccc3OC)cs2)ccc1OC(C)C 1872793291 SBPUUPUFTJANIF-XDHOZWIPSA-N 462.615 6.976 50 10 JKGE COc1cc(/C=C(\C#N)c2nc(-c3ccc(OC)c4ccccc34)cs2)cc(Br)c1O 1872795232 UZQZLEQVXAJORZ-OQLLNIDSSA-N 493.382 6.513 50 10 JKGE COc1ccc(-c2csc(/C(C#N)=C/c3ccc(OCc4ccccc4C)cc3)n2)c(OC)c1OC 1872795234 VAVYPROYPOXDAQ-PXLXIMEGSA-N 498.604 6.788 50 10 JKGE Cc1c(Br)sc([C@H](Br)[C@@H]2COc3ccccc32)c1Br 1922899168 AOASKYJERGKXQJ-BXKDBHETSA-N 467.020 6.194 50 10 JKGE CC[C@@]1([C@@H](Br)c2sc(Br)c(C)c2Br)CC1(F)F 1922935789 SFCWPDUSIFXLFO-WPRPVWTQSA-N 452.984 6.453 50 10 JKGE Cc1cccc([C@H](Cl)[C@@H](C)c2ccncc2Br)c1I 1924044488 XEZBJMSSNHCFHQ-IINYFYTJSA-N 450.545 5.841 50 10 JKGE CS(=O)(=O)c1sccc1[C@@H](Br)c1c(Cl)sc(Br)c1Cl 1925547964 XLDSDEWXCBQQND-ZCFIWIBFSA-N 485.071 5.767 50 10 JKGE Cc1sc(Br)cc1[C@H](Br)c1c(Cl)sc(Br)c1Cl 1925551451 AWJUPYKCEYHNTF-ZETCQYMHSA-N 499.902 7.434 50 10 JKGE Fc1cccc(F)c1C[C@@H](Br)c1c(Cl)sc(Br)c1Cl 1925588435 FVORWJFXKILUDX-ZCFIWIBFSA-N 450.957 6.774 50 10 JKGE Cc1ccnc(CC(CBr)(CBr)C2CCCCC2)c1Br 1926845144 NWLLKIGZPOZHRW-UHFFFAOYSA-N 468.071 6.052 50 10 JKGE Clc1sc([C@@H](Br)c2sncc2Br)cc1Br 1928067922 CHBCTXXFAXJHFG-ZCFIWIBFSA-N 452.418 5.867 50 10 JKGE BrCc1cc(Br)cc(Br)c1OC[C@H]1C[C@H]1Br 1991502373 IYHPEIITUBOCJT-VXNVDRBHSA-N 477.816 5.269 50 10 JKGE CC[C@@H]([C@H](Br)c1sc(Br)c(C)c1Br)C(C)(F)F 2004478425 JVMDWTVFAOIVNP-XPUUQOCRSA-N 455.000 6.699 50 10 JKGE CS(=O)(=O)c1csc([C@@H](Br)c2scc(Br)c2Br)c1 2032169099 SXJAIMSTUCKEGH-SECBINFHSA-N 495.077 5.222 50 10 JKGE Clc1c(Br)sc(Br)c1[C@H](Br)CC1CC2(CCC2)C1 2037983011 TYCRGTSQKGJKKU-MRVPVSSYSA-N 477.487 7.333 50 10 JKGE Cc1c(Br)sc([C@H](Br)C[C@H]2COC(C)(C)C2)c1Br 2041482487 LLWWECTWFNLUEE-RKDXNWHRSA-N 461.057 6.223 50 10 JKGE Fc1ccc(I)cc1[C@H](Br)Cc1cccc(Br)c1 2050466745 DNUBNSMYBZUHST-CYBMUJFWSA-N 483.944 5.872 50 10 JKGE Cl[C@H](c1cc(I)sn1)c1csc2c(Br)cccc12 2056488645 XMOKLWKNFHZTER-NSHDSACASA-N 470.582 6.053 50 10 JKGE CCc1cc(Br)c([C@H](Br)c2c(C)nn(C)c2Br)s1 2065889420 ADQDEHIZQJFZPU-SNVBAGLBSA-N 457.029 5.362 50 10 JKGE COc1cc(C(=O)N(Cc2ccccc2)[C@H](CBr)C2CC2)ccc1Br 2072060570 FNOGGLQHGUXWIC-GOSISDBHSA-N 467.201 5.274 50 10 JKGE Cc1nn(C)c([C@H](Cl)c2c(Br)sc(Br)c2Cl)c1Br 2072299755 BFSHSZODPIWGDZ-ZCFIWIBFSA-N 497.865 6.059 50 10 JKGE Brc1cc(Br)c([C@@H](Br)[C@H]2C[C@@H]2c2ccccc2)s1 2079390241 UCCAUYTVJXZUED-NRUUGDAUSA-N 451.021 6.513 50 10 JKGE Cc1cc(Cl)c(Br)cc1[C@H](Br)c1cc(C)c(Br)s1 2082376020 CVUJMYLLSULAJB-LBPRGKRZSA-N 473.455 7.028 50 10 JKGE Cc1cnc(CC(CBr)(CBr)c2ccccc2Br)s1 2087498260 XISSAJPSPZCIOU-UHFFFAOYSA-N 468.052 5.484 50 10 JKGE BrCc1ccc(N2CCC[C@@H]2[C@H]2CCN(Cc3ccccc3)C2)c(Br)c1 2089000830 PRRLKKSWMRCLQL-PZJWPPBQSA-N 478.272 5.835 50 10 JKGE FC1(F)CN(Cc2cccc(Br)c2Br)CC[C@@H]1CBr 2092330432 JCAGDERPNMAILU-SNVBAGLBSA-N 461.970 5.064 50 10 JKGE BrCc1cc(Br)c(OCCS[C@@H]2CCOC2)c(Br)c1 2092688636 GAVCFBATYHXPFT-SNVBAGLBSA-N 475.040 5.007 50 10 JKGE CC1(C)CCC[C@]1(CBr)NC(=O)c1cc(Br)sc1Br 2094146090 JFEAMPHXTOIVCC-CYBMUJFWSA-N 474.056 5.347 50 10 JKGE Cc1sc(Br)c([C@@H](Br)[C@H](C)c2ccncc2Br)c1C 2100998791 IEFGXMYHFHBZFE-OQPBUACISA-N 468.052 6.525 50 10 JKGE Cc1cc([C@H](Br)c2c(C)cc(C)c(Br)c2C)c(Br)s1 2101013642 FFUUIQVHWZMYNL-AWEZNQCLSA-N 467.064 6.991 50 10 JKGE CC[C@@H](Br)[C@H]1CCCCN1Cc1c(Br)cccc1Br 2114189318 LZEOLLPEKUHFRO-IUODEOHRSA-N 454.044 5.740 50 10 JKGE Cc1sc(Br)c(C(=O)N[C@H](C)CCCCCI)c1C 2117895494 SCXWXIBVQHONNE-SECBINFHSA-N 458.203 5.241 50 10 JKGE CC1(C)CCCN(Cc2cc(Cl)ccc2I)[C@H]1CBr 2129314180 LHTLAURXQZDLNV-AWEZNQCLSA-N 456.593 5.330 50 10 JKGE Cc1c(Br)ccc([C@@H](Br)[C@H](C)C2CCCCC2)c1Br 2138873578 PZXKOEVHCVFGCI-BMIGLBTASA-N 453.056 7.172 50 10 JKGE CC(C)c1nc(Br)c(Br)n1CCCCCCCCCBr 2143941881 UFBVBTFETIGZME-UHFFFAOYSA-N 473.091 6.657 50 10 JKGE Cc1cc(CBr)cc(C)c1OCc1c(Br)cccc1Br 2150489934 UFXSNRYPDDKNIV-UHFFFAOYSA-N 463.007 6.302 50 10 JKGE C[C@@H]1C[C@@H](n2c(CCCl)nc3cc(Cl)c(Br)cc32)CN1Cc1ccccc1 2169008528 WGMXKROAHOEKJG-GDBMZVCRSA-N 467.238 6.069 50 10 JKGE CC(C)NCc1cc(Br)c(OC[C@H]2C[C@H](Br)C2)c(Br)c1 2196905701 TVVWIPUIBCHKDP-HAQNSBGRSA-N 470.043 5.262 50 10 JKGE COc1cc(F)c([C@H](Cl)c2c(Br)cccc2Br)cc1Br 2202902181 MWXZEXNZRXFWBC-AWEZNQCLSA-N 487.388 6.450 50 10 JKGE COc1c(Br)cc(C)cc1[C@@H](Br)c1cc(Br)ccc1C 2203826993 WNYABXSKGZUZNI-HNNXBMFYSA-N 463.007 6.321 50 10 JKGE Cc1c(Br)sc([C@H](Br)c2cccc(Br)c2Cl)c1C 2218788298 CFEUZNDYAJEAIB-SNVBAGLBSA-N 473.455 7.028 50 10 JKGE BrCc1cc(Br)ccc1N1C[C@@H]2CCC[C@H](C1)N2Cc1ccccc1 2219220001 OYONIECBTDLEDE-BGYRXZFFSA-N 464.245 5.587 50 10 JKGE Fc1ccc([C@@H](Br)c2cc(Br)c(Br)cc2F)c(F)c1 2225617760 QZYJMDVFMKKZEM-CYBMUJFWSA-N 458.897 6.113 50 10 JKGE Clc1cc(Cl)cc(C[C@H](Br)c2cc(Cl)ccc2I)c1 2232147182 YLFFBSDVBXKBEM-ZDUSSCGKSA-N 490.393 6.930 50 10 JKGE Cc1nn(C)c([C@H](Br)c2cc(Br)c(Br)cc2F)c1Cl 2232169976 KQTRGHUVUZLERA-SNVBAGLBSA-N 475.381 5.530 50 10 JKGE C[C@@H](Cl)c1nc2c(F)cc(Br)cc2n1C[C@H]1CCCN1Cc1ccccc1 2232917189 YPBQZUUUGMZVHG-RHSMWYFYSA-N 450.783 5.902 50 10 JKGE CCOCc1cc(Br)c([C@@H](Cl)c2cccc(C)c2I)s1 2233008476 IDZBJYINUUYNEJ-ZDUSSCGKSA-N 485.612 6.288 50 10 JKGE CCOCc1cc(Br)c([C@H](Cl)c2cc(Cl)cc(Br)c2)s1 2233036129 SECVUAGHDIYJMM-CYBMUJFWSA-N 459.030 6.791 50 10 JKGE Cc1sc([C@H](Br)c2scc(Br)c2Cl)cc1Br 2242672438 GFTHCOUCAADFBK-QMMMGPOBSA-N 465.457 6.781 50 10 JKGE C[C@@H](Br)CN(Cc1ccccc1)C(=O)c1cc(F)c(Br)cc1Cl 2243478240 VVVZAOHMEVFQKA-LLVKDONJSA-N 463.572 5.667 50 10 JKGE COc1ccc([C@H](Cl)c2cscc2OCc2ccccc2)cc1I 2248882347 HPHIUOYEIKKKII-IBGZPJMESA-N 470.759 6.269 50 10 JKGE BrC[C@H](OC1CCN(Cc2ccccc2)CC1)c1ccccc1Br 2250367298 OKXXCJVBMZTLRE-FQEVSTJZSA-N 453.218 5.566 50 10 JKGE Cc1ccc(Br)cc1[C@@H](Br)c1sc(C)c(C)c1Br 2253504775 MYYQDYXHMGHTET-CYBMUJFWSA-N 453.037 6.683 50 10 JKGE CCc1cc([C@H](Br)c2cc(C)cc(Br)c2)sc1Br 2256052997 JWRJOXDHRCYTPK-CYBMUJFWSA-N 453.037 6.628 50 10 JKGE Cc1cc([C@H](Cl)Cc2cc(Br)cc(Br)c2)c(Br)s1 2263510419 NVSYYBKQUAKLML-GFCCVEGCSA-N 473.455 6.867 50 10 JKGE COc1c(Br)cc(Cl)cc1[C@@H](Br)c1cncc(Br)c1 2264353021 YXJIQIDGLLFDRI-LBPRGKRZSA-N 470.386 5.753 50 10 JKGE CCCCc1ccc([C@H](Cl)c2cc(I)ccc2Br)s1 2264372813 FIAANHJBBVTPKO-OAHLLOKOSA-N 469.613 6.786 50 10 JKGE Cc1c(Br)ccc([C@@H](Br)C[C@H]2CCCC23CC3)c1Br 2266619910 DYWDGNZLYMVISB-RISCZKNCSA-N 451.040 6.926 50 10 JKGE COc1ccc([C@@H](Cl)c2c(F)cccc2Br)cc1I 2269548975 XBAHPJUEWBXNTA-CQSZACIVSA-N 455.492 5.530 50 10 JKGE C[C@@H]1CCC[C@@](CI)(OCc2cc(Br)ccc2Cl)C1 2277806766 MMZXKEMQFBERLM-IAQYHMDHSA-N 457.577 6.003 50 10 JKGE C[C@@H](Cl)c1nc2cc(Br)c(Br)cc2n1[C@H]1C[C@H](Br)C1 2277878008 SQMHWAXZYGBSPM-BWZBUEFSSA-N 471.418 5.960 50 10 JKGE Fc1cc(F)c(F)c([C@@H](Br)c2ccc(Cl)c(I)c2)c1F 2283577767 CUJFIFLRIVSTDA-NSHDSACASA-N 479.436 5.985 50 10 JKGE O=[N+]([O-])c1ccc(Oc2cc(I)ccc2Cl)cc1CBr 2288251976 IQYLYRGYHDNPTD-UHFFFAOYSA-N 468.472 5.540 50 10 JKGE CCCCCCCOc1ccc(C=C(C#N)C(=O)Nc2ncc(Cc3cccc(Cl)c3)s2)cc1 2293038573 MLMHQVPQUQAQBM-UHFFFAOYSA-N 494.060 7.282 50 10 JKGE N#CC(=Cc1cn(Cc2ccccc2)c2ccccc12)C(=O)Nc1cc(C(F)(F)F)ccc1Cl 2294510960 DUQXJTYVXDAFEZ-UHFFFAOYSA-N 479.889 6.907 50 10 JKGE N#CC(=Cc1ccc(OCC(=O)c2ccc(F)cc2)cc1)c1nc(-c2cccc([N+](=O)[O-])c2)cs1 2296801427 HPHRLQXYLRJETR-UHFFFAOYSA-N 485.496 6.183 50 10 JKGE CCc1cccc(CC)c1NC(SCc1ccccc1C)=C(C#N)S(=O)(=O)c1ccccc1 2297350054 QMOJVIONZQJQPR-UHFFFAOYSA-N 476.667 6.632 50 10 JKGE CCOc1cc(C=C(C#N)C(=O)Nc2ccccc2F)ccc1OC(=O)c1cccc2ccccc12 2297491204 ZDUYBAISHSNIQL-UHFFFAOYSA-N 480.495 6.142 50 10 JKGE N#CC(=Cc1cc2cc(Br)ccc2nc1Cl)c1nc(-c2ccc([N+](=O)[O-])cc2)cs1 2297550780 HWJIYMVEJZRFNU-UHFFFAOYSA-N 497.761 6.747 50 10 JKGE Cc1cccc(Oc2nc3c(C)cccn3c(=O)c2C=C(C#N)c2nc3ccccc3s2)c1C 2314436823 JUKFRDJVQRQOFF-UHFFFAOYSA-N 464.550 6.086 50 10 JKGE FC1(F)CCCC[C@@H]1[C@@H](Br)c1cc(Br)ccc1OCc1ccccc1 2314447744 BKDVWTYFEPCNCZ-MJGOQNOKSA-N 474.183 7.290 50 10 JKGE CCCCOc1ccc(-c2nn(-c3ccccc3)cc2C=C(C#N)C(=O)N2CCOCC2)cc1Cl 2314476449 OTHHARHIVXKPDL-UHFFFAOYSA-N 490.991 5.137 50 10 JKGE CCCC[C@H](C)[C@H](Br)c1c(Cl)cc(Br)c(F)c1Br 2315445853 QLBVQTWBOANMHC-CPCISQLKSA-N 465.426 7.266 50 10 JKGE Clc1cc(I)c([C@H](Br)[C@H]2C[C@H]3CCC[C@H]2CC3)s1 2316747585 RQACRTVERXMQFK-AVWBDOJWSA-N 459.618 6.659 50 10 JKGE N#CC(=Cc1ccc(OC(=O)CCCOc2ccc(Cl)cc2Cl)cc1)c1cccc(Cl)c1 2320507156 ZWGNTNUPIXACFI-UHFFFAOYSA-N 486.782 7.476 50 10 JKGE O=C(NN=Cc1cn(-c2ccccc2)nc1-c1ccc(OCc2ccc(Cl)cc2)cc1)c1ccco1 2321672383 DUMDTJCBKIGZSD-UHFFFAOYSA-N 496.954 6.129 50 10 JKGE CC1(C)C[C@@H](Br)[C@@H](Cc2ccc(I)c(Br)c2)CO1 2325176505 XPNZZMXPSVQNSD-CMPLNLGQSA-N 488.001 5.175 50 10 JKGE CSCC[C@H](NC(=O)OC(C)(C)C)C(=O)NN=Cc1ccccc1OCc1ccccc1Cl 2328826173 PPWFXLQYJVMPLG-FQEVSTJZSA-N 492.041 5.016 50 10 JKGE CCCCCCCCCOc1ccc(C=C(C#N)c2nc3cc(C)ccc3n2C)cc1Br 2331019497 YOTSEGLWYZTVKW-UHFFFAOYSA-N 494.477 7.838 50 10 JKGE CCOc1cc(C=C(C#N)c2nc(O)c3ccc(C(=O)OC)cc3n2)ccc1OCc1ccccc1 2331046317 CJFOQJSBIUCGSU-UHFFFAOYSA-N 481.508 5.164 50 10 JKGE CCCCc1ccc(N2C[C@@H](C(O)=C(C#N)c3nc(-c4ccc5c(c4)CCCC5)cs3)CC2=O)cc1 2331239863 LDUKHDKIUKVNFZ-DEOSSOPVSA-N 497.664 6.877 50 10 JKGE N#CC(=C(O)CCCOc1ccccc1Cl)c1nc(-c2ccc(Cl)cc2Cl)cs1 2331254766 YHIFRTFSLHVTSE-UHFFFAOYSA-N 465.789 7.422 50 10 JKGE CCCCc1ccc(-c2csc(C(C#N)=C(O)CCCOc3ccc(Cl)cc3)n2)cc1 2331256646 JUWAQHCVNDNIDD-UHFFFAOYSA-N 453.007 7.458 50 10 JKGE N#CC(=C(O)c1cc(S(=O)(=O)N2CCCCC2)ccc1Cl)c1nc(-c2ccccc2)cs1 2331304972 ZVJPJCCXWZSRGJ-UHFFFAOYSA-N 486.018 5.588 50 10 JKGE C[C@H](c1ccccc1)N1C[C@@H](C(O)=C(C#N)c2nc(-c3ccc(Cl)c(Cl)c3)cs2)CC1=O 2331311778 XOTPCOYOBYHVKU-PBHICJAKSA-N 484.408 6.519 50 10 JKGE CCCCCCCOc1ccc(-c2csc(C(C#N)=C(O)CCOc3ccccc3)n2)cc1 2331345899 HYSUDUPSSLTBBL-UHFFFAOYSA-N 462.615 7.421 50 10 JKGE N#CC(=C(O)CNC(=O)c1ccc(Cl)cc1Cl)c1nc(-c2c[nH]c3ccccc23)cs1 2331346596 DLGKVQROKLZTTD-UHFFFAOYSA-N 469.353 5.821 50 10 JKGE COc1c(Cl)cc(-c2csc(C(C#N)=C(O)CNC(=O)c3ccc(Cl)cc3)n2)cc1Cl 2331396515 IZLJWGLTPKYRNZ-UHFFFAOYSA-N 494.787 6.002 50 10 JKGE COc1c(Cl)cc(-c2csc(C(C#N)=C(O)Cc3ccc(F)cc3F)n2)cc1Cl 2331396820 FOVLQDNMZKDUQV-UHFFFAOYSA-N 453.297 6.439 50 10 JKGE Cc1cc(Br)c(C)c([C@H](Br)C[C@H]2CCC2(F)F)c1Br 2335357976 HIRCZKKYLBSQQL-MWLCHTKSSA-N 460.982 6.700 50 10 JKGE Brc1cc(OCc2ccccc2)ccc1[C@H](Br)[C@@H]1C[C@H]2CCC[C@H]1CC2 2338745183 ULVXHNIOFATUSV-NEJLPYICSA-N 478.268 7.681 50 10 JKGE ClCCN(Cc1ccc(I)c(Br)c1)Cc1cccs1 2349826358 UBYSESZRUAEYBO-UHFFFAOYSA-N 470.601 5.356 50 10 JKGE CC(C)(CI)CN1CC[C@H](CCNC(=O)OC(C)(C)C)C[C@@H]1C(F)(F)F 2351614978 ZBLCOAAOCAKSNJ-UONOGXRCSA-N 492.364 5.005 50 10 JKGE CC(C)(C)C1CCC([C@@H](Br)c2ccc(OCc3ccccc3)cc2Br)CC1 2361200669 LOVGSQRFLSEMCI-MTNXOHHFSA-N 494.311 8.317 50 10 JKGE CC(C)(C)C1([C@H](Br)c2c(Cl)cc(Br)c(F)c2Br)CCC1 2362250198 ZRNFPLFETMEPCV-CYBMUJFWSA-N 491.464 7.657 50 10 JKGE CCOc1ccc([C@H](Br)c2cc(Br)ccc2Br)c(F)c1 2367480957 LVKTVAOAMWQWTO-HNNXBMFYSA-N 466.970 6.234 50 10 JKGE BrCc1cc(Br)c(OCC[C@@H]2CC[C@H]2C2CC2)c(Br)c1 2368450556 BYEWAGXEBVQQIX-STQMWFEESA-N 467.039 6.312 50 10 JKGE Cc1ccc(CCl)c(OCc2c(Br)cccc2Br)c1Br 2380674369 URSRSOSPZQDLGV-UHFFFAOYSA-N 483.425 6.600 50 10 JKGE CC[C@H](C)c1ccccc1O[C@H](CC)C(=O)NNC(=O)c1ccc(NC(=O)c2cccc(C)c2)cc1 10683309 VQWLBEOLTCAQQD-NBGIEHNGSA-N 487.600 5.379 50 10 JKGE CCCCCOc1ccccc1C(=O)NNC(=O)CCCOc1ccc(Cl)cc1Cl 14035790 XLEHHHBYEIKMPX-UHFFFAOYSA-N 453.366 5.183 50 10 JKGE CC/C(=N\NC(=O)c1cc(-c2ccc(CC)cc2)nc2c(Cl)cccc12)c1ccc(C)s1 20212787 WPMHUNXUUGQUAH-QUPMIFSKSA-N 462.018 7.032 50 10 JKGE Cc1ccc(C(=O)Oc2ccc(/C=C(/C#N)C(=O)Nc3nc(-c4cccs4)cs3)cc2)cc1 33826528 WWJMDZSSBLFFEI-UYRXBGFRSA-N 471.563 5.945 50 10 JKGE N#C/C(=C\c1c(Oc2ccccc2Cl)nc2ccccn2c1=O)c1nc2ccccc2s1 35549727 RCTZJPWZSLJISV-FYWRMAATSA-N 456.914 5.814 50 10 JKGE COC(=O)c1ccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4oc5ccc(C)cc5c4C)ccc32)cc1 38700945 XOMPOTCTJHIHID-RUZDIDTESA-N 494.503 5.274 50 10 JKGE C=CCOc1cccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4cccc(OCCC)c4)ccc32)c1 40529905 KUNWOFOFIUJUGK-MHZLTWQESA-N 482.536 5.478 50 10 JKGE Cc1c(C(=O)NN(c2ccccc2)c2ccccc2)oc2c1/C(=N/NC(=O)c1ccccc1)CCC2 40804192 VHLMZCNFRZPCHZ-BGABXYSRSA-N 478.552 5.542 50 10 JKGE Cc1cc(C)c2c(CC(=O)N/N=C3\CCCc4oc(C(=O)Nc5ccccc5C)c(C)c43)coc2c1 40826966 UIDATGOGXUGNRG-DFKUXCBWSA-N 483.568 5.911 50 10 JKGE CCOc1ccc(/C=N/NC(=O)COc2ccc(-c3ccccc3)cc2Br)cc1 40910479 HZSONAJCLZRBMY-MFKUBSTISA-N 453.336 5.044 50 10 JKGE COc1cc(/C=C\C#N)ccc1OC(=O)CCCOc1cc(C)c(Cl)c(C)c1Br 41018139 JHOYPVLDDXHUIX-XQRVVYSFSA-N 478.770 6.029 50 10 JKGE Cc1ccc(NC(=O)/C(C#N)=C/c2cccc(OCc3ccc(Cl)cc3Cl)c2)cc1C 59232890 HZEZWZTUQYXSOY-RGVLZGJSSA-N 451.353 6.735 50 10 JKGE COc1cc(/C=N/NC(=O)c2cc3cc(Br)ccc3o2)ccc1OCc1ccc(F)cc1 59445137 JWAZOCKVRQIHKE-UVHMKAGCSA-N 497.320 5.686 50 10 JKGE N#C/C(=C\c1ccccc1OCc1cccc2ccccc12)C(=O)N1CCN(c2ccccc2)CC1 59676591 JZMPZAJHLQEAJX-SZXQPVLSSA-N 473.576 5.675 50 10 JKGE CCCCC1CCC(C(=O)Nc2ccc(C(=O)[C@@H](Br)CCC)cc2OCC)CC1 71432630 ONFCRGLOQJMFTI-QLOJAFMTSA-N 466.460 6.767 50 10 JKGE COc1ccc(-c2csc(/C(C#N)=C\Nc3cc(C(F)(F)F)ccc3Cl)n2)cc1OC 100302499 ONHPFGAAHOKQSO-RAXLEYEMSA-N 465.884 6.476 50 10 JKGE COc1ccccc1NC(=O)/C(C#N)=C1\S[C@H](Cc2ccccc2)C(=O)N1c1ccc(C)c(C)c1 101246798 BWXOKZGVMAVUNY-KVILUOORSA-N 483.593 5.377 50 10 JKGE CCCOc1ccc(/C=N\NC(=O)COc2ccc(C(C)(C)CC(C)(C)C)cc2)cc1OC 101633220 XKJQGMMVVXAYQB-QRQIAZFYSA-N 454.611 5.727 50 10 JKGE COc1c(Br)cc(Cl)cc1[C@H](Cl)c1ccccc1I 104021873 ZWWPSWLWYUIRFR-CYBMUJFWSA-N 471.947 6.044 50 10 JKGE O=C1CCc2cc([C@H](Cl)c3cc(Br)c(Br)s3)c(F)cc2N1 128545611 DYCCRDNTQGDJFR-ZDUSSCGKSA-N 453.558 5.625 50 10 JKGE COc1cc(Br)c([C@@H](Br)c2cccc(F)c2Br)cc1OC 156102328 GZPKYUJYCIBPAH-AWEZNQCLSA-N 482.969 5.852 50 10 JKGE Fc1cc(Cl)ccc1CC(CBr)(CBr)c1ccccc1Cl 164854173 OVXSNEXQQSNVTA-UHFFFAOYSA-N 454.992 6.403 50 10 JKGE CCCCCCCOc1ccc(/C=C2\C(=O)N(CCCOC(C)C)C(=O)C(C#N)=C2C)cc1OCC 214308634 MDGOXPCVKDJINC-MOHJPFBDSA-N 496.648 5.842 50 10 JKGE N#C/C(=C/Nc1ccc(Nc2ccccc2)cc1)C(=O)Nc1ccc(Cl)c(C(F)(F)F)c1 217250009 JONJAVDMXIWKTB-PFONDFGASA-N 456.855 6.560 50 10 JKGE CCCOc1ccc([C@@H](Cl)c2cccc(Br)c2Cl)cc1Br 229002218 VEJNEMIHFNXPMC-OAHLLOKOSA-N 453.001 6.982 50 10 JKGE CC(C)(C#N)CCCOc1c(Br)cc(CBr)cc1Br 232536857 RYEPUBQEWIHFGF-UHFFFAOYSA-N 454.000 5.815 50 10 JKGE Clc1sc([C@H](Cl)c2cc(Br)sc2Br)cc1Br 236030212 HBZGAQXEEWDAOT-SSDOTTSWSA-N 485.875 7.079 50 10 JKGE CCCCCCCCOc1ccc(-c2cc(C(=O)NN=Cc3ccc(SC)cc3)[nH]n2)cc1 254844692 DOCHCEOVCQYUTR-UHFFFAOYSA-N 464.635 6.302 50 10 JKGE CC(=NNC(=O)COc1cc(Cl)c(Cl)cc1Cl)c1ccc(NC(=O)c2ccco2)cc1 254868084 QUIKAUPGXVQGEQ-UHFFFAOYSA-N 480.735 5.411 50 10 JKGE CCCCC[C@H](/C=C\[C@H]1[C@@H]2CC(=O)O[C@H]2C[C@H]1OC(=O)c1ccccc1)O[Si](C)(C)C(C)(C)C 256108697 HCFDVFAZKOSMJZ-PAKPPKTESA-N 486.725 6.691 50 10 JKGE Brc1cc([C@@H](Br)c2cc(I)cc3c2OCC3)cs1 306038325 MRZPUSRZNPQUTO-GFCCVEGCSA-N 499.993 5.534 50 10 JKGE C[C@H](Br)C[C@@H]1CCCCN1C(=O)c1ccc(I)c(Cl)c1 313010687 WHJGHINLODVLFX-JQWIXIFHSA-N 470.576 5.113 50 10 JKGE FC(F)(F)c1csc([C@@H](Br)c2coc(Br)c2)c1Br 393543012 HWBQLIQTBHZLDT-ZETCQYMHSA-N 468.914 6.369 50 10 JKGE Clc1cc([C@@H](Cl)c2ccccc2I)c(Cl)c(Cl)c1Cl 404728063 PCSRGDQGSLGCCE-JTQLQIEISA-N 466.360 7.233 50 10 JKGE Fc1cccc([C@@H](Br)c2ccc(F)c(Br)c2F)c1Br 691634102 HNKOFDUHCVIERO-SNVBAGLBSA-N 458.897 6.113 50 10 JKGE CCn1cc([C@@H](Br)c2cc(Cl)c(Br)cc2F)nc1Br 698373629 LRZXXTDYNBTNGJ-NSHDSACASA-N 475.381 5.705 50 10 JKGE CO[C@@](C)(COCc1ccccc1)Cn1c(CCl)nc2cc(I)ccc21 702783314 YPGKZHOZPFECLR-HXUWFJFHSA-N 484.765 5.002 50 10 JKGE Brc1cc([C@H](Br)c2ccc(C3CC3)s2)c(Br)s1 707976444 PXESZCTYPKMZIY-NSHDSACASA-N 457.050 6.696 50 10 JKGE C[C@H](Cl)c1nc2cc(I)ccc2n1[C@@H]1C[C@@H](OCc2ccccc2)C1(C)C 718083064 ZSCPFBROBPJBBS-VHKYSDTDSA-N 494.804 6.497 50 10 JKGE Fc1ccc([C@H](Cl)c2cccc(F)c2I)c(F)c1Br 721717378 ATWKBCPMLDEODP-NSHDSACASA-N 461.446 5.799 50 10 JKGE O=C(CCl)N(c1ccc(Oc2ccccc2)cc1)[C@@H](COCc1ccc(F)cc1)c1cccs1 725237938 ABAUINKEHRKLPX-VWLOTQADSA-N 496.003 7.209 50 10 JKGE O=C(Nc1ccccc1C(=O)NN=Cc1ccc(-c2cccc(C(F)(F)F)c2)o1)c1ccccc1 1081103630 XTEHEDPFCRMBIW-UHFFFAOYSA-N 477.442 5.982 50 10 JKGE CC(=NNC(=O)c1ccc(CSCc2ccccc2)cc1)c1ccc(NC(=O)c2ccccc2)cc1 1084285943 CHXGZGSKRKVMJP-UHFFFAOYSA-N 493.632 6.526 50 10 JKGE C=CCc1cc(/C=C(\C#N)C(=O)N2CCN(c3ccccc3)CC2)ccc1OCc1ccccc1 1084320879 GOAFDFFBSSQRBL-SZXQPVLSSA-N 463.581 5.250 50 10 JKGE CCOc1ccc([C@H](O)CCC(=O)NN=Cc2cn(Cc3ccccc3Cl)c3ccccc23)cc1 1084418346 XXVCPQMTSDZVBR-HHHXNRCGSA-N 490.003 5.706 50 10 JKGE CCCOc1ccc(C=NNC(=O)COc2cc(C)c(Cl)c(C)c2Br)cc1 1772756561 WHXMUAPEKPCMPO-UHFFFAOYSA-N 453.764 5.037 50 10 JKGE COc1ccc(-c2nn(Cc3ccc(Cl)cc3)c3c2[C@H](c2ccccc2)C(C#N)=C(N)O3)cc1 1865680424 KGDDWYXYODBICA-HSZRJFAPSA-N 468.944 5.479 50 10 JKGE CCCc1nn(-c2ccc(C)cc2)c2c1[C@H](c1ccc(OC(C)C)c(OC)c1)C(C#N)=C(N)O2 1865696955 LZCIYWDLOBHKFU-XMMPIXPASA-N 458.562 5.147 50 10 JKGE N#CC1=C(N)Oc2c(c(-c3ccccc3)nn2-c2ccc(Br)cc2)[C@@H]1c1cccs1 1865698318 PXXTVBUNEMXHPC-IBGZPJMESA-N 475.371 5.581 50 10 JKGE COc1ccc(-c2nn(-c3cccc4ccccc34)c3c2[C@H](c2ccncc2)C(C#N)=C(N)O3)cc1 1865701628 AARGPQZDGJWHNL-RUZDIDTESA-N 471.520 5.314 50 10 JKGE CCCc1nn(-c2ccccc2)c2c1[C@@H](c1cccc(OCc3ccccc3)c1)C(C#N)=C(N)O2 1865712063 OVUBMOQPNPJFDN-SANMLTNESA-N 462.553 5.622 50 10 JKGE N#CC1=C(N)Oc2c(c(C(F)(F)F)nn2-c2ccccc2Cl)[C@@H]1c1ccc(Br)cc1 1865714785 QCFSENFRMGFANU-OAHLLOKOSA-N 495.686 5.525 50 10 JKGE CCOC(=O)c1c(-c2ccc([N+](=O)[O-])cc2)csc1NC(=O)/C(C#N)=C/c1cccc(F)c1 1866131038 DMOLNAWHJYTWAT-MHWRWJLKSA-N 465.462 5.185 50 10 JKGE CCCC[C@@H](NC(=O)C[C@H](CC(C)C)c1ccc(F)cc1)C(=O)Nc1ccc(SC#N)cc1 1867105457 VWEBQZNJKXCOLK-GBXCKJPGSA-N 469.626 6.232 50 10 JKGE N#CSc1ccc(NC(=O)CNC(=O)C[C@@H](c2ccccc2)c2ccc(Br)cc2)cc1 1868159634 BLINLGQUFBIJII-QFIPXVFZSA-N 494.414 5.299 50 10 JKGE CCOc1ccc(/C=C/C(O)=C(\C#N)c2nc(-c3ccc(-c4ccccc4)cc3)cs2)cc1 1872743866 PYBUZBADNXRUKT-WSQVVZGUSA-N 450.563 7.382 50 10 JKGE CCOc1ccc(/C=C/C(O)=C(\C#N)c2nc(-c3ccc(-c4ccccc4)cc3)cs2)cc1OC 1872744144 WVFMCJIUPWEYSO-ZKUDEMOXSA-N 480.589 7.390 50 10 JKGE CC(C)(C)c1ccc(-c2csc(/C(C#N)=C(O)/C=C/c3ccc(Cl)c(Cl)c3)n2)cc1 1872750625 IIKFDUKAVGXSTM-LAULQSTRSA-N 455.410 7.920 50 10 JKGE COC(=O)c1ccccc1N1C[C@H](/C(O)=C(\C#N)c2nc(-c3ccc(C(C)C)cc3)cs2)CC1=O 1872751785 GBTMKXFYOTWOGX-FPOCJBQTSA-N 487.581 5.566 50 10 JKGE COc1c(Cl)ccc(Cl)c1/C(O)=C(\C#N)c1nc(-c2cccc3ccccc23)cs1 1872752281 VBLDBSDYVWYJBY-PGMHBOJBSA-N 453.350 7.229 50 10 JKGE COc1cc(/C=C(\C#N)c2nc(-c3ccc(F)c(C)c3)cs2)cc(Br)c1OC(C)C 1872790868 IXSBQFHEYJHYEB-CAOOACKPSA-N 487.394 6.880 50 10 JKGE COc1cc(/C=C(\C#N)c2nc(-c3cccs3)cs2)cc(Br)c1OC(C)C 1872791573 MUIKOTKHFUCWKP-VGOFMYFVSA-N 461.406 6.494 50 10 JKGE Cc1cccc(C(=O)N(Cc2ccccc2)[C@H](CBr)C(C)C)c1Br 1915293346 LBHKPBPJYSXYDU-GOSISDBHSA-N 453.218 5.819 50 10 JKGE FC(F)(F)Oc1ccc([C@@H](Br)c2sc(Br)cc2Br)cc1 1922891622 MOUGPIAIYHFPIQ-SNVBAGLBSA-N 494.952 6.656 50 10 JKGE COc1cc(Cl)ccc1[C@@H](Br)c1sc(Br)cc1Br 1922945637 IHCIUMDSQDOTFU-LLVKDONJSA-N 475.427 6.419 50 10 JKGE Brc1cc(Br)c([C@H](Br)[C@H]2[C@H]3c4ccccc4CC[C@H]32)s1 1922955303 YEBSOONIHVBTRY-AQNFWKISSA-N 477.059 6.685 50 10 JKGE CC(C)Oc1cccc([C@@H](Cl)c2c(Br)sc(Br)c2Cl)c1 1923048040 DWFOUJPAMKNTDB-LLVKDONJSA-N 459.030 7.042 50 10 JKGE Clc1c(Br)sc(Br)c1[C@H](Cl)c1cccc(Br)c1 1923054109 AOBCZSKIGXWCIT-MRVPVSSYSA-N 479.846 7.017 50 10 JKGE CC[C@H]1CC[C@H]([C@H](Cl)c2c(Br)sc(Br)c2Br)CC1 1924585121 HSHXSFQCTVJFLS-LAEOZQHASA-N 479.503 7.532 50 10 JKGE Clc1ccccc1C[C@@H](Cl)c1c(Br)sc(Br)c1Br 1924589650 DRFMKMNBBHGYCD-MRVPVSSYSA-N 493.873 7.212 50 10 JKGE CC(C)C[C@@H](C(C)C)[C@@H](Cl)c1c(Br)sc(Br)c1Br 1924615620 DPHGCLLXBFJPPR-GZMMTYOYSA-N 481.519 7.634 50 10 JKGE CC(C)(CC(F)(F)F)[C@H](Br)c1cc(Br)sc1Br 1941573386 NJXVPEXTGRWQPQ-SSDOTTSWSA-N 458.963 6.688 50 10 JKGE C[C@@H](C[C@@H](Br)c1c(Br)sc(Br)c1Br)C1CC1 1983717860 ZFKBSBFLFJFLIG-CAHLUQPWSA-N 495.900 6.908 50 10 JKGE BrCc1cc(Br)c(OCC2(Br)CCC2)c(Br)c1 2002775080 ZTAHLGACNNVXMO-UHFFFAOYSA-N 491.843 5.803 50 10 JKGE Fc1cc(Br)cc(OCCOCCOCc2ccccc2)c1CBr 2007820096 BZZKUPNTFYXGDE-UHFFFAOYSA-N 462.153 5.095 50 10 JKGE COc1ccc(C)cc1[C@@H](Br)c1csc(Br)c1Br 2032958468 FCVVZUXKQDQBMO-LLVKDONJSA-N 455.009 6.074 50 10 JKGE CCc1nc([C@@H](Br)c2cc(Br)c(OC)s2)c(Br)s1 2050331972 UDNRAZHQXPWHMB-QMMMGPOBSA-N 476.053 5.785 50 10 JKGE Cc1nn(C)c([C@@H](Cl)c2c(Cl)sc(Br)c2Cl)c1Br 2072302808 OYJCRNCCVKYHFU-LURJTMIESA-N 453.414 5.950 50 10 JKGE C[C@@H](c1ccncc1)[C@H](Br)c1ccc(Br)cc1I 2086149270 LSIZNTDLGXEALE-XPTSAGLGSA-N 480.969 5.688 50 10 JKGE Fc1ccc([C@@H](Cl)Cc2ccccc2I)c(F)c1Br 2087569876 LQLIDNDRXAPSLG-JTQLQIEISA-N 457.483 5.855 50 10 JKGE F[C@H]1CC[C@@H](CC(CBr)(CBr)c2ccccc2Br)C1 2093928637 UHZZBMXXIVFHHO-NEPJUHHUSA-N 457.019 6.005 50 10 JKGE Cn1nc(COc2ccc(Br)cc2CBr)c(Br)c1Cl 2096688515 MJKBEGKJBOUKOT-UHFFFAOYSA-N 473.390 5.072 50 10 JKGE Fc1cc(Cl)c(Br)cc1[C@@H](Br)c1cc(Cl)ccc1Br 2097834828 OEXJJLGPBCRIDO-ZDUSSCGKSA-N 491.807 7.142 50 10 JKGE Cn1ncc(COc2c(Br)cc(CBr)cc2Br)c1Cl 2111944129 FUSPCEDSGOSTOP-UHFFFAOYSA-N 473.390 5.072 50 10 JKGE COC1(C[C@H](Br)c2cc(Br)c(C)cc2Br)CCCC1 2112590342 CXHFUYNKPVBCHA-AWEZNQCLSA-N 455.028 6.305 50 10 JKGE Cc1nc([C@@H](Cl)c2scc(C(F)(F)F)c2Br)c(Br)s1 2113186239 ZLUKIHXBTPESGF-ZCFIWIBFSA-N 455.546 6.385 50 10 JKGE CO[C@H]1C[C@H]([C@H](Cl)c2c(Br)sc(Br)c2Br)C[C@H]1OC 2118284680 CSBKHDOZLWIBPG-DOACCVQLSA-N 497.474 5.756 50 10 JKGE Fc1cc(F)c([C@H](Br)c2c(Cl)sc(Br)c2Cl)cc1Cl 2122802547 QLIIDLWKNNPPED-QMMMGPOBSA-N 471.375 7.233 50 10 JKGE FC(F)(C1CCOCC1)[C@H](Cl)c1c(Br)sc(Br)c1Cl 2128895710 ILCDEFGCMGQFEJ-MRVPVSSYSA-N 458.977 6.268 50 10 JKGE CC(C)(C)OC(=O)N1CCC[C@@](CI)(OC[C@@H]2C[C@H]2c2ccccc2)C1 2135987050 FQBFCYPPPVNPJK-WFXMLNOXSA-N 471.379 5.011 50 10 JKGE Cc1cc(Br)c(C)c([C@H](Br)c2nn(C)cc2Cl)c1Br 2136375700 YAQNEFWFZMPHRU-LBPRGKRZSA-N 471.418 5.700 50 10 JKGE Cc1cc(Br)c(C)c([C@@H](Br)[C@@]2(C)CCCOC2)c1Br 2136379396 KBACCEACYZNKMG-CABCVRRESA-N 455.028 6.081 50 10 JKGE COc1cc(F)c([C@H](Cl)c2ccccc2I)cc1Br 2138146794 SCHWAPDIJCBAHM-CQSZACIVSA-N 455.492 5.530 50 10 JKGE Clc1ccc(Oc2ccc(CBr)cc2Br)c(Br)c1Cl 2141427222 XLVDNJGVSVAJSZ-UHFFFAOYSA-N 489.816 7.206 50 10 JKGE Cc1cc(F)c([C@@H](Br)c2ccc(I)c(C)c2)cc1Cl 2142145407 TZTUAHCFAKNCBN-HNNXBMFYSA-N 453.520 6.185 50 10 JKGE COc1cc(Br)c(C)cc1[C@@H](Br)c1ccc(Br)c(F)c1 2145954487 CZFYCUBEGUYCJD-HNNXBMFYSA-N 466.970 6.152 50 10 JKGE O=C(c1ccc(Br)cc1Br)N1CCC[C@H](CCBr)CC1 2149745223 RQDCNWSGGAKWLH-LLVKDONJSA-N 468.027 5.239 50 10 JKGE BrCc1c(Br)cccc1N1C[C@]23CCC[C@@]2(CN(Cc2ccccc2)C3)C1 2153342343 XGSKQQWAKJONFR-DHIUTWEWSA-N 490.283 5.837 50 10 JKGE C[C@]1([C@@H](Br)c2cc(I)cc3c2OCC3)CCCC1(F)F 2167955886 BLLZHGVWXHSVQT-UONOGXRCSA-N 457.096 5.488 50 10 JKGE C[C@H](Cl)c1nc2cc(Cl)c(Br)cc2n1[C@@H]1CCN(Cc2ccccc2)[C@H]1C 2168999290 QREYCPWSKIKEMC-CKFHNAJUSA-N 467.238 6.588 50 10 JKGE Fc1cc(Br)cc(N2CCC[C@@]3(CCN(Cc4ccccc4)C3)C2)c1CBr 2170693175 XYZMOFFDUWLNDZ-QFIPXVFZSA-N 496.262 5.976 50 10 JKGE C[C@@H]1C[C@@H](C(F)(F)F)N(C[C@@H](CBr)CC2CC2)CCN1C(=O)OC(C)(C)C 2178263881 LKDBTCGODZCZTA-BMFZPTHFSA-N 457.375 5.060 50 10 JKGE CC(C)n1cc(S(=O)(=O)N(Cc2ccccc2)[C@H](C)C(C)(C)C)cc1CBr 2179858699 SBNSZTXQGADLBN-QGZVFWFLSA-N 455.462 5.589 50 10 JKGE CCN(C[C@](C)(CI)OC[C@@H]1C[C@@H]1C1CCCCCC1)C(=O)OC(C)(C)C 2200760105 OOACREPXAZYTAM-JQVVWYNYSA-N 493.470 6.060 50 10 JKGE Cc1cc(Br)c(C)c([C@H](Br)c2cscc2C(F)F)c1Br 2201064422 JIOVYJPRQHWDEU-CYBMUJFWSA-N 489.017 7.312 50 10 JKGE Cc1cc(Br)c(C)c([C@@H](Br)C(F)(F)[C@@H]2CCOC2)c1Br 2201074300 QZZDJPFPOZUMKK-NOZJJQNGSA-N 476.981 5.936 50 10 JKGE CS(=O)(=O)c1ccc([C@@H](Br)c2ccc(Br)cc2Br)cc1 2203683291 CWFIWLQTBKBDFD-CQSZACIVSA-N 483.019 5.099 50 10 JKGE Cc1cc(Br)c(CBr)c(N2CC[C@H]3COC[C@@H](C2)N3Cc2ccccc2)c1 2204528367 YSFMLYQHMQUGCB-RBUKOAKNSA-N 494.271 5.132 50 10 JKGE CCC1CCC(CI)(OCc2ccc(F)cc2Br)CC1 2206268166 QQZIRKIIUIJYGK-UHFFFAOYSA-N 455.149 5.879 50 10 JKGE Cn1nc(Br)c([C@H](Cl)c2c(Br)sc(Br)c2Cl)n1 2214371931 AGWQWCANOJLMGG-GSVOUGTGSA-N 484.826 5.146 50 10 JKGE CC(F)(F)[C@@H]1C[C@H]1[C@@H](Br)c1cc(Br)c(Br)cc1F 2218602989 IIVCWBGOTXPZSY-DEHACQHWSA-N 450.918 6.078 50 10 JKGE Cc1c(Br)sc([C@H](Br)Cc2ccccc2Br)c1C 2218789496 UTUCMWOQWDOWNY-GFCCVEGCSA-N 453.037 6.569 50 10 JKGE CC(C)(C)OC(=O)N1CCCC[C@@H]1[C@H]1CCCN(CCCCCI)C1 2220218059 SFACSSAIPQQYEZ-ZWKOTPCHSA-N 464.432 5.093 50 10 JKGE Fc1cc(Br)c(Br)cc1[C@@H](Br)C12CCC(F)(CC1)C2 2225615985 BXGCOWADBOSRLI-IYXRBSQSSA-N 458.966 6.459 50 10 JKGE FC(F)CCCCC(CBr)(CBr)c1ccc(Br)cc1 2230106989 JNMFVNFYUJWVQM-UHFFFAOYSA-N 462.998 6.302 50 10 JKGE Clc1cc(Br)c([C@@H](Br)C[C@H]2C[C@H]3CC[C@H]2C3)c(Cl)c1Cl 2232514717 WNMJWDZAFHLSGA-QEYWKRMJSA-N 461.452 7.672 50 10 JKGE C[C@H](Cl)c1nc2cc(Br)c(Br)cc2n1CC1SCCS1 2234060433 XQBLMSXDVPEUAK-ZETCQYMHSA-N 456.656 5.667 50 10 JKGE Cc1c(Br)csc1[C@@H](Br)c1cc(Br)c2c(c1)C[C@H](C)O2 2234516009 YEHBLSDHWAMLHR-CPFSXVBKSA-N 481.047 6.389 50 10 JKGE BrC[C@@]12CCCC[C@H]1CN(Cc1cc(Br)ccc1Br)C2 2239187000 ADZIHOUZJAKKQJ-XJKSGUPXSA-N 466.055 5.599 50 10 JKGE O=[N+]([O-])c1c(Br)cccc1Oc1cc(Br)ccc1CBr 2240781612 ZGLNSIOOMSRIKD-UHFFFAOYSA-N 465.923 5.807 50 10 JKGE Fc1cc([C@@H](Br)c2c(Cl)sc(Cl)c2Cl)c(Cl)cc1Br 2267749564 NHTHMPAUHCQWHL-MRVPVSSYSA-N 487.830 7.748 50 10 JKGE O=C(c1cc(Br)sc1Br)N1C[C@H](Br)C[C@@H]2CCCC[C@@H]21 2279518764 ZJPQHIKPXPXVJQ-NGZCFLSTSA-N 486.067 5.441 50 10 JKGE CC1CC(CBr)(CN2CCN(C(=O)OC(C)(C)C)[C@@H](C)C[C@@H]2C(F)(F)F)C1 2280060072 NDNIGSSNEGIOPH-QRHJNKNDSA-N 457.375 5.060 50 10 JKGE C[C@H](c1ccncc1Br)[C@@H](Br)c1cc(Br)c(F)cc1Cl 2285977554 GPBCONAAPUPJTI-NXSYQRQQSA-N 486.404 6.639 50 10 JKGE COc1ccc2nc(C(C#N)=Cc3ccc(Oc4ccc(C(F)(F)F)cc4[N+](=O)[O-])cc3)[nH]c2c1 2294284538 ATXMHNPWWRTXOW-UHFFFAOYSA-N 480.402 6.355 50 10 JKGE N#CC1=C(N)OC2=C(CCC2=Cc2cccc(Br)c2)[C@H]1c1cccc(Br)c1 2296736753 XSZWMKLFBBGEQK-HXUWFJFHSA-N 484.191 6.151 50 10 JKGE COc1ccc(C=C(C#N)C(=O)Nc2ccc(Cl)cc2)cc1OCc1ccccc1Cl 2313630676 DMHITHFHDACHOZ-UHFFFAOYSA-N 453.325 6.127 50 10 JKGE CCCOc1ccc(-c2nn(-c3ccccc3)cc2C=C(C#N)C(=O)NC[C@@H]2CCCO2)cc1Cl 2314476334 MXJLCSBSHYXQJD-QHCPKHFHSA-N 490.991 5.184 50 10 JKGE CCOc1cc(C=C(C#N)C(=O)NCc2ccco2)ccc1OC(=O)c1ccc(Cl)c(Cl)c1 2314753257 QHCJCILDWWXXGP-UHFFFAOYSA-N 485.323 5.428 50 10 JKGE CCN(Cc1ccccc1)c1ccc(C=NNC(=O)c2nc(-c3ccccc3)sc2C)cc1 2323746220 YFGUPZTZLSHYFR-UHFFFAOYSA-N 454.599 5.909 50 10 JKGE CCOc1ccc(CCC(O)=C(C#N)c2nc(-c3ccc4ccccc4c3)cs2)cc1OC 2331238928 DSUCUKXNZFEHMY-UHFFFAOYSA-N 456.567 6.796 50 10 JKGE CCOc1cc(C(O)=C(C#N)c2nc(-c3cccc(OC)c3)cs2)cc(OCC)c1OCC 2331246348 FBVVZKZTLJDAOE-UHFFFAOYSA-N 466.559 5.965 50 10 JKGE COc1ccc(-c2csc(C(C#N)=C(O)CNC(=O)c3ccc(Cl)cc3Cl)n2)c(OC)c1 2331385754 HCRWCTLURKWEOR-UHFFFAOYSA-N 490.368 5.357 50 10 JKGE COc1cc(Cl)c(C)cc1-c1csc(C(C#N)=C(O)CCCOc2ccc(C(C)(C)C)cc2)n1 2331390096 IJWAUAFBLFKXNO-UHFFFAOYSA-N 497.060 7.730 50 10 JKGE COc1c(Cl)cc(-c2csc(C(C#N)=C(O)Cc3ccc(Br)cc3)n2)cc1Cl 2331396957 RPEBZDLDMWMUNE-UHFFFAOYSA-N 496.213 6.923 50 10 JKGE Fc1cc(Br)c(F)c(Br)c1[C@@H](Br)[C@@H]1[C@@H]2CCCO[C@@H]21 2334720363 VAHBUBKILNFZES-KTQCSSRESA-N 460.938 5.351 50 10 JKGE Cn1ncc([C@@H](Cl)c2c(F)cc(Cl)c(Br)c2Cl)c1I 2335301543 HYTRUFNDSFEGOE-SECBINFHSA-N 498.348 5.561 50 10 JKGE CCC[C@H](C(C)C)[C@H](Br)c1c(Cl)cc(Br)c(F)c1Br 2337082786 QFJGKLIVXKQFRW-PELKAZGASA-N 479.453 7.512 50 10 JKGE Clc1ccc(CN2CC[C@H]3CC[C@@H](Br)[C@H]2C3)cc1I 2337223283 KGKFSPQSQMWORV-IXPVHAAZSA-N 454.577 5.083 50 10 JKGE Fc1ccc([C@@H](Cl)c2ccc(Cl)cc2I)c(F)c1Br 2340063158 HRZJSRXZRGYYSP-LBPRGKRZSA-N 477.901 6.314 50 10 JKGE CCC1(CC)[C@@H](Cl)C[C@H]1OCc1cc(I)ccc1Br 2341838791 RWMWYFRZNNKCIE-UONOGXRCSA-N 457.577 5.756 50 10 JKGE CC1(C)CCCC[C@]1(CCl)Cc1ccc(I)c(Br)c1 2349840397 NBGHUFVGEMIYDP-MRXNPFEDSA-N 455.605 6.422 50 10 JKGE C[C@H]1CCC[C@](CBr)(Cc2cc(I)ccc2Cl)CC1 2352349077 ZAHIZGVGQXUWKM-BLLLJJGKSA-N 455.605 6.469 50 10 JKGE O=C(c1cc(Br)c(Br)s1)N1[C@H]2CCCC[C@H]2C[C@@H]1CBr 2358970548 WRFOLBABFYYLDO-NGZCFLSTSA-N 486.067 5.441 50 10 JKGE COc1cc(F)c(CBr)c(Oc2cc(Br)cc(Br)c2)c1 2364103777 LYEXZVYALLKFTR-UHFFFAOYSA-N 468.942 6.047 50 10 JKGE Cc1cc(Br)c(F)c(Br)c1[C@H](Br)c1ccc(Cl)cc1F 2365186142 NRCNWMFYOVTRRW-GFCCVEGCSA-N 489.379 6.936 50 10 JKGE COc1cc([C@@H](Br)c2cc(Br)cc(Cl)c2OC)sc1Cl 2365828277 HEUPFNDTFWFFCW-NSHDSACASA-N 461.002 6.319 50 10 JKGE Fc1ccc(I)cc1[C@@H](Br)CCc1cc(Cl)cc(Cl)c1 2366900842 YVXBRLXJTWEYGB-AWEZNQCLSA-N 487.965 6.806 50 10 JKGE CC1(C)CC[C@H](CC(CBr)(CBr)c2ccccc2Br)C1 2367694484 ZQVFIFKUNPAUFN-ZDUSSCGKSA-N 467.083 6.693 50 10 JKGE COc1ccc(/C=C/C(=O)Oc2ccc(/C=C(/C#N)c3ccc(OC)c(OC)c3)cc2)cc1OC 31901116 WCRDSRGKMDZJRC-WYVXAZLOSA-N 471.509 5.404 50 10 JKGE CCSc1ccc(-c2nn(-c3ccccc3)cc2/C=C(\C#N)c2nc3ccccc3n2C)cc1 33928621 WNQMGCGVKOSRJF-HEHNFIMWSA-N 461.594 6.602 50 10 JKGE COc1cccc(N2C(=O)CS[C@H]2c2cccc(NC(=O)[C@@H](Cl)c3ccccc3)c2)c1 35927251 JVQDAZGXELNIPF-UPVQGACJSA-N 452.963 5.392 50 10 JKGE CCOc1ccccc1[C@@H]1C(C#N)=C(N)Oc2cc(OC(=O)[C@@H](C)Oc3ccc(C(C)C)cc3)ccc21 38650560 LLIYSTWWBAJWPG-GDJIYFAZSA-N 498.579 5.800 50 10 JKGE N#CC1=C(N)Oc2cc(OC(=O)c3cccc4ccccc34)ccc2[C@@H]1c1cccc2ccccc12 38657850 KNGUXEDTWXHZJM-LJAQVGFWSA-N 468.512 6.430 50 10 JKGE CC(C)CCOc1cccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4ccccc4Cl)ccc32)c1 38684625 UMOXETQYAQTJOY-AREMUKBSSA-N 488.971 6.202 50 10 JKGE C=CCOc1cccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4oc5ccc(C)cc5c4C)ccc32)c1 38701111 MJPYHOYDUIPKFS-HHHXNRCGSA-N 492.531 6.052 50 10 JKGE CC(C)(C)c1ccc(Oc2nc3ccccn3c(=O)c2/C=C(/C#N)C(=O)Nc2cccc(Cl)c2)cc1 39858511 SJEWFGPMUZRDKF-SDXDJHTJSA-N 498.970 5.983 50 10 JKGE O=C1CCCc2cc([C@@H](Br)c3ccccc3I)ccc2N1 40288856 XDNWQKBLFMYURL-QGZVFWFLSA-N 456.121 5.050 50 10 JKGE COc1cc(/C=C(\C#N)C(=O)NCc2ccco2)ccc1OC(=O)c1sc2ccccc2c1Cl 41007602 UKHZEQMEFDERFB-LFIBNONCSA-N 492.940 5.599 50 10 JKGE CCOc1ccc([C@@H](O)CCC(=O)N/N=C\c2cn(Cc3ccccc3F)c3ccccc23)cc1 58894711 NTIUMTRCKCERQE-FNJJVTQMSA-N 473.548 5.191 50 10 JKGE CCC1(CC)[C@@H](Cl)C[C@H]1Oc1c(Br)cc(Br)cc1Br 97646517 LVHBNWWFMGBPHI-NWDGAFQWSA-N 475.446 6.539 50 10 JKGE Brc1cc([C@@H](Br)c2ccc3c(c2)OCCO3)c(Br)s1 109870079 AOZQIWKAUXPAGP-LBPRGKRZSA-N 468.992 5.529 50 10 JKGE Fc1c([C@@H](Br)c2cc(Cl)c(Br)s2)cccc1C(F)(F)F 128143453 PVHGTFNRALPNLH-SECBINFHSA-N 452.492 6.806 50 10 JKGE Cc1cc(Br)cc([C@@H](Br)c2cc(Br)ccc2Br)c1 131974429 PTDFXAONDCETTC-CQSZACIVSA-N 497.850 6.767 50 10 JKGE Clc1ccc([C@H](Br)c2csc3c(Br)cccc23)cc1Cl 163509198 YQEBCUQDABZEKZ-AWEZNQCLSA-N 451.010 7.455 50 10 JKGE CCCOc1ccc([C@H](Br)c2ccc(Br)cc2C)cc1Br 229010034 JIMBTXSSYVNNMK-KRWDZBQOSA-N 477.034 6.793 50 10 JKGE COc1cc(C=NNC(=O)CSc2nc3ccccc3s2)ccc1OC(=O)c1ccc(C)cc1 252635885 XBBXMOOBMXLZMH-UHFFFAOYSA-N 491.594 5.075 50 10 JKGE CC(=NNC(=O)c1cc(-c2ccc(OCc3ccc(C)cc3)cc2)n[nH]1)c1cccc([N+](=O)[O-])c1 254375924 KFQHSFNGYNNAOH-UHFFFAOYSA-N 469.501 5.026 50 10 JKGE COc1ccc(C(=O)Oc2ccc3ccccc3c2C=NNC(=O)c2ccc(C)cc2)cc1OC 254382469 WMQPEQINMKZOSD-UHFFFAOYSA-N 468.509 5.149 50 10 JKGE CCCN(CCC)c1ccc(C=NNC(=O)COc2ccc(C(C)(C)CC(C)(C)C)cc2)cc1 254568597 AHFHLUCXWVVLFV-UHFFFAOYSA-N 465.682 6.556 50 10 JKGE COc1ccc(C(=O)Nc2cccc(C(C)=NNC(=O)c3c(-c4ccccc4)noc3C)c2)cc1 254747094 SATJVDXYGNDTPX-UHFFFAOYSA-N 468.513 5.065 50 10 JKGE Clc1ccc(Br)c(COc2ccc(Br)cc2CBr)c1 382253164 AVQYOGVJWAVHLQ-UHFFFAOYSA-N 469.398 6.339 50 10 JKGE Cc1cc(Br)ccc1[C@H]1CN(C(=O)OC(C)(C)C)C[C@@H]1CI 382686152 FUDQENSSEUAQPT-WFASDCNBSA-N 480.184 5.143 50 10 JKGE Fc1cc2c(cc1Br)nc(CCCl)n2[C@H]1CCCN(Cc2ccccc2)C1 382745876 SVYBGGWVJZDJQW-INIZCTEOSA-N 450.783 5.556 50 10 JKGE Cc1cc(Br)c([C@H](Br)[C@H]2CC3CCC2CC3)cc1Br 388943957 AEEWWDTUEPYSTK-SRFLYJQJSA-N 451.040 6.782 50 10 JKGE CC(C)Oc1cccc2c1nc([C@@H](C)Cl)n2CCCN(Cc1ccccc1)Cc1ccccc1 390599836 VPNLSUOHKGTZJJ-HSZRJFAPSA-N 476.064 7.216 50 10 JKGE Cc1oc(Br)cc1[C@@H](Br)c1csc2c(Br)cccc12 396591039 MBRQVZHICBEQQX-CYBMUJFWSA-N 465.004 6.812 50 10 JKGE BrCc1c(Br)cccc1N1CC[C@@H]2[C@H](CCCN2Cc2ccccc2)C1 715015557 QQAMZGMTWNUDFS-WIYYLYMNSA-N 478.272 5.835 50 10 JKGE BrCc1cc(Br)ccc1N1CC[C@@H]2CC[C@H](C1)N2Cc1ccccc1 717411604 JRWLBHRPWLQCDR-VQTJNVASSA-N 464.245 5.587 50 10 JKGE COc1cc(/C=C\C(=O)Oc2ccc([N+](=O)[O-])cc2)cc(Br)c1OCc1ccccc1 1082441349 AWBXPKCUMJKETA-GHXNOFRVSA-N 484.302 5.564 50 10 JKGE Cc1ccc(-n2nc(C)c(C=NNC(=O)[C@@H](C)Oc3ccc(Cl)cc3Cl)c2C)cc1C 1084255125 PKWURSSFUUUUHD-QGZVFWFLSA-N 459.377 5.330 50 10 JKGE O=C(COc1ccc(Br)cc1Cl)NN=Cc1ccccc1OCc1ccccc1 1084397198 ZNUNHPMONBEYQK-UHFFFAOYSA-N 473.754 5.211 50 10 JKGE O=C(NN=Cc1cc(Br)c(Sc2ccc(Cl)cc2)o1)Nc1cccc(Cl)c1 1084551596 YWGYQZQQJGVJSO-UHFFFAOYSA-N 485.190 6.656 50 10 JKGE Cc1ccc(C(=O)NN=C2CCCc3oc(C(=O)Oc4cccc5ccc(C)nc45)c(C)c32)cc1 1772744925 OHXXQBFAIAXEAT-UHFFFAOYSA-N 467.525 5.443 50 10 JKGE COc1ccc(-c2nn(Cc3ccccc3Cl)c3c2[C@@H](c2ccccc2F)C(C#N)=C(N)O3)cc1 1865684159 UZLZJPOHBMABCL-QHCPKHFHSA-N 486.934 5.618 50 10 JKGE CCOc1cccc([C@@H]2C(C#N)=C(N)Oc3c2c(C(F)(F)F)nn3Cc2c(F)cccc2Cl)c1 1865689908 GGDCNUFQEXETIX-GOSISDBHSA-N 492.860 5.360 50 10 JKGE COc1cccc([C@@H]2C(C#N)=C(N)Oc3c2c(-c2ccccc2)nn3Cc2cccc(Cl)c2)c1OC 1865701370 UFUHLHMIRBFYPX-HSZRJFAPSA-N 498.970 5.487 50 10 JKGE COc1cccc([C@H]2C(C#N)=C(N)Oc3c2c(-c2ccccc2)nn3Cc2cccc(Cl)c2)c1OC 1865701371 UFUHLHMIRBFYPX-QHCPKHFHSA-N 498.970 5.487 50 10 JKGE CC[C@](C)(NC(=O)[C@H](c1ccc(C(C)C)cc1)C(C)C)C(=O)Nc1ccc(SC#N)cc1 1866960327 FMOKUSAGCBRHEA-OZXSUGGESA-N 451.636 6.046 50 10 JKGE CCCN(CCCN(C)C)c1cc(Nc2ccc(SC#N)cc2)nc(-c2ccc(Cl)cc2)n1 1868433460 LVNUMOIWXQJGPZ-UHFFFAOYSA-N 481.069 6.282 50 10 JKGE Cc1c([N+](=O)[O-])cc(/C(O)=C(\C#N)c2nc(-c3ccc(Cl)cc3Cl)cs2)cc1[N+](=O)[O-] 1872744775 HUGRXRLIWZQEGV-AQTBWJFISA-N 477.285 6.192 50 10 JKGE COc1cc(C)c(-c2csc(/C(C#N)=C(\O)c3cc([N+](=O)[O-])ccc3Cl)n2)cc1C(C)C 1872753562 CURCEUMHOXZQRQ-PYCFMQQDSA-N 469.950 6.762 50 10 JKGE COc1cc(OC)cc(/C(O)=C(\C#N)c2nc(-c3cc(C(C)C)c(OC)cc3C)cs2)c1 1872753933 VFYOPWQWPQBQBQ-FLFQWRMESA-N 450.560 6.218 50 10 JKGE COc1ccc(-c2csc(/C(C#N)=C(\O)c3ccccc3I)n2)c(C)c1C 1872754069 AXBLGUABFBSMSN-SILNSSARSA-N 488.350 5.990 50 10 JKGE CCCOc1ccc(-c2csc(/C(C#N)=C/c3cccc4ccccc34)n2)cc1OCCC 1872790264 WAZPRYVSESEQQK-XQNSMLJCSA-N 454.595 7.605 50 10 JKGE CCCCCOc1ccc(/C=C(\C#N)c2nc(-c3cc(Cl)cc(C)c3OC)cs2)cc1OC 1872794319 VHTZJQSRIOLPCQ-XDHOZWIPSA-N 483.033 7.422 50 10 JKGE Cc1cc(Br)cc(C(=O)N(Cc2ccccc2)[C@H](CBr)C2CC2)c1 1915313928 PWEFRBPXXPAPEM-LJQANCHMSA-N 451.202 5.573 50 10 JKGE CN(C[C@H](Br)COCc1ccccc1)c1nc2cc(Br)ccc2o1 1916341487 GJYVCAOOAMWOEE-HNNXBMFYSA-N 454.162 5.007 50 10 JKGE Cl[C@H](c1ccc(Br)s1)c1sc(Br)cc1Br 1922922209 ZDYZJCVYPLKIMC-MRVPVSSYSA-N 451.430 6.425 50 10 JKGE Cc1c(Br)sc([C@@H](Br)[C@@H](C)c2ccccc2)c1Br 1922945188 DFIDWUQDUYRCIQ-KWQFWETISA-N 453.037 6.821 50 10 JKGE Cn1nc([C@H](Br)c2c(Br)sc(Br)c2Cl)cc1Cl 1923073908 CWOCOIGRNWFNKF-LURJTMIESA-N 483.838 5.798 50 10 JKGE C[C@@H](C1CCCCC1)[C@@H](Br)c1c(Br)sc(Br)c1Cl 1923910225 VCRNTEJVUGHSFX-OIBJUYFYSA-N 479.503 7.579 50 10 JKGE C[C@H](c1ccncc1Br)[C@H](Cl)c1cccc(F)c1I 1924057519 VJMLNMWJCBMSFH-OQPBUACISA-N 454.508 5.671 50 10 JKGE Cl[C@H](c1c(Br)sc(Br)c1Br)[C@]12CCC[C@H]1OCC2 1924611927 HINFODUIDPUEPI-JSTDYGSISA-N 479.459 6.275 50 10 JKGE Brc1nscc1[C@@H](Br)c1ccc(Br)c2ccccc12 1925249889 FCTPOOGTQQFVHW-ZDUSSCGKSA-N 462.004 6.306 50 10 JKGE Cc1ccc(Cl)c([C@H](Br)c2cc(Br)sc2Br)c1 1925524216 NCKAEXIOQVJFNU-NSHDSACASA-N 459.428 6.719 50 10 JKGE Clc1sc(Br)c(Cl)c1[C@H](Br)c1cc(Br)cs1 1981401677 MQQCAPKNUSQHGD-ZCFIWIBFSA-N 485.875 7.126 50 10 JKGE CCCN[C@H](c1c(Br)sc(Br)c1Br)[C@H]1C[C@@H]1Cl 2020444622 APPFMVGAUAHAMC-WATHFIQWSA-N 466.464 5.704 50 10 JKGE Cc1csc([C@@H](Br)c2ccc(F)c(Br)c2F)c1Br 2039333248 YLTWRKCZSOGMAD-VIFPVBQESA-N 460.963 6.344 50 10 JKGE CCc1nc([C@H](Cl)c2sc(Br)c(C)c2Br)c(Br)s1 2050330689 GFBCTGXMHCLWRR-ZETCQYMHSA-N 494.499 6.691 50 10 JKGE Cc1nn(C)c(Br)c1[C@H](Cl)c1ccc(Br)cc1Br 2083322199 SFLMMXIOFPLPHC-LLVKDONJSA-N 457.391 5.344 50 10 JKGE Cc1c(Br)ccc([C@H](Cl)c2cn(C)c(Br)n2)c1Br 2083335214 WIHIZZWJTNIYCE-NSHDSACASA-N 457.391 5.344 50 10 JKGE Cc1cc(F)c(F)cc1[C@@H](Br)c1scc(Br)c1Br 2083943915 BYVVIWLPTHVHCN-SNVBAGLBSA-N 460.963 6.344 50 10 JKGE Cn1nc([C@H](Br)c2cc(F)c(Br)cc2F)c(Br)c1Cl 2110728359 OHUSHJKZAXVNPW-MRVPVSSYSA-N 479.344 5.361 50 10 JKGE CCc1nc([C@@H](Cl)c2cc(Br)c(C)cc2Br)c(Br)s1 2113182015 BSLIIGGUCUSLQO-NSHDSACASA-N 488.470 6.630 50 10 JKGE Cc1cc(Cl)c([C@H](Br)c2cc(I)ccc2F)cc1C 2113359045 XUBBXVIBQTUVEC-HNNXBMFYSA-N 453.520 6.185 50 10 JKGE Clc1ccc(I)c(CN2CC3(CBr)CCC2CC3)c1 2122355524 CVGIMNCUVISWHT-UHFFFAOYSA-N 454.577 5.084 50 10 JKGE BrCc1cc(Br)c(OCC23CC(CCO2)C3)c(Br)c1 2122894292 HVGGAISLNAQALQ-UHFFFAOYSA-N 454.984 5.054 50 10 JKGE O=S(=O)(c1cc(Cl)cc(CBr)c1Cl)N(Cc1ccccc1)C1CCCC1 2123270559 XYGZFELFOBZTAY-UHFFFAOYSA-N 477.251 6.022 50 10 JKGE Cc1cc(Br)c(C)c([C@@H](Cl)c2cn(C)c(Br)n2)c1Br 2136378223 BSEPRKFPWIOGMT-LBPRGKRZSA-N 471.418 5.653 50 10 JKGE FC1(F)CCC[C@@H]2[C@H]([C@H](Br)c3ccc(Br)cc3Br)[C@H]21 2138870800 BVRPMCZANAXTNH-LPTSXCQYSA-N 458.966 6.329 50 10 JKGE Cc1ccc([C@@H](Br)c2ccc(Br)c(C)c2Br)c(F)c1 2138877321 ZCPLHNWAYIOWQY-OAHLLOKOSA-N 450.971 6.452 50 10 JKGE CC1(C)CCN(C(=O)c2ccc(Br)cc2Br)C[C@@H]1CBr 2148651788 JEBVQHULDVOQIJ-JTQLQIEISA-N 468.027 5.095 50 10 JKGE BrCc1c(Br)cccc1N1CCc2cc(Br)ccc2C1 2149910140 QSNVGSPHRWCZHM-UHFFFAOYSA-N 460.007 5.669 50 10 JKGE C[C@@H](Cl)c1nc2cncc(Br)c2n1-c1cccc(I)c1 2151779566 HTWCGLLGVPXWNZ-MRVPVSSYSA-N 462.516 5.087 50 10 JKGE O=C(c1cc(Br)ccc1Br)N1[C@H]2CCC[C@@H](Br)[C@H]1CC2 2154105781 IXKNYDXSFJEZEZ-ZLKJLUDKSA-N 466.011 5.132 50 10 JKGE C[C@@H]1[C@H](C(F)(F)F)N(CC2(CBr)CCCCC2)CCN1C(=O)OC(C)(C)C 2172610241 UEWKWIUWEAJZFZ-HUUCEWRRSA-N 457.375 5.204 50 10 JKGE C[C@H]1C[C@@H](n2c(CCl)nc3cc(Cl)c(Br)cc32)CN(Cc2ccccc2)C1 2184260214 IKVOSYSGTIVRMR-GOEBONIOSA-N 467.238 6.274 50 10 JKGE CCOc1ccc([C@H](Br)c2c(Br)nn(C)c2C)c(Br)c1 2188149276 YQMRIDHKXXTSJU-ZDUSSCGKSA-N 466.999 5.137 50 10 JKGE CC(C)NCc1cc(Br)c(OCC2CC(Br)C2)c(Br)c1 2196907807 TVVWIPUIBCHKDP-UHFFFAOYSA-N 470.043 5.262 50 10 JKGE Cc1cc(Br)c(C)c([C@H](Br)[C@H]2Cc3ccccc32)c1Br 2201070892 DCMTWOTXLNPMLO-SUMWQHHRSA-N 459.019 6.604 50 10 JKGE Cc1cc(Br)c(C)c([C@@H](Br)c2c(C)oc(C)c2C)c1Br 2201075529 VCOQAAUHRDGLPH-INIZCTEOSA-N 465.023 6.831 50 10 JKGE CC[C@@H]1[C@@H](Br)CC[C@@H]1c1sc(Br)c(Br)c1Br 2212290337 XJEOUXOVOGDBFO-ACZMJKKPSA-N 495.900 6.703 50 10 JKGE Fc1cc(Br)c(Br)cc1[C@H](Br)[C@H]1CCCC1(F)F 2218599251 ZMSAVXDACBHRBX-HQJQHLMTSA-N 450.918 6.222 50 10 JKGE Cc1cc(F)cc([C@@H](Br)c2cc(Br)c(Br)cc2F)c1 2225617041 RNSSSTHCANWFHL-CQSZACIVSA-N 454.934 6.283 50 10 JKGE Fc1cccc(C[C@H](Br)c2cc(Br)c(Br)cc2F)c1 2225618069 XEGNLTTXEARWNP-NSHDSACASA-N 454.934 6.169 50 10 JKGE Clc1cccc(C(CBr)(CBr)Cc2ncsc2Br)c1 2226134254 PBEMAOIXHJYVLJ-UHFFFAOYSA-N 488.470 5.829 50 10 JKGE COC[C@@H]1CC[C@H]([C@H](Br)c2c(Br)cc(C)c(Br)c2C)C1 2235608257 IUKIXSYNVBIWBD-WQGACYEGSA-N 469.055 6.327 50 10 JKGE Cc1cc(Br)c([C@H](Br)C(F)(F)[C@H]2CCOC2)c(C)c1Br 2235610949 ULKXZQFMDDZFJF-ZANVPECISA-N 476.981 5.936 50 10 JKGE Cc1c(Br)cccc1[C@H](Br)c1c(F)cc(F)c(Br)c1F 2236106954 CRSHDMDMLVRILL-LBPRGKRZSA-N 472.924 6.422 50 10 JKGE Cc1cc(Br)c([C@@H](Cl)c2sc(C)c(C)c2Br)c(C)c1Cl 2237632834 CXGFHIOSYYZZSO-CQSZACIVSA-N 457.058 7.488 50 10 JKGE Fc1cccc(I)c1[C@@H](Cl)c1cc(Cl)c(Br)s1 2247987291 GSHRIPADBNEQPW-JTQLQIEISA-N 465.940 6.236 50 10 JKGE CCc1cc([C@@H](Br)c2scc(Br)c2Cl)sc1Br 2248004305 JFNFQFYGQUKACB-MRVPVSSYSA-N 479.484 7.035 50 10 JKGE Brc1cc2sc([C@@H](Br)c3ccccc3OCc3ccccc3)cc2s1 2263557917 GSOCYWFNYDTNLN-FQEVSTJZSA-N 494.273 7.789 50 10 JKGE COc1ccc([C@@H](Br)c2ccc(Cl)c(I)c2)c(C)c1 2268280790 QVTAZXJDYCXJIC-HNNXBMFYSA-N 451.529 5.746 50 10 JKGE Cc1cc(F)c(Br)cc1[C@@H](Br)c1c(Br)sc(C)c1C 2270429980 RWLFFFNKYXMXLZ-CYBMUJFWSA-N 471.027 6.822 50 10 JKGE Fc1cc(Br)c(F)c(Br)c1[C@@H](Br)[C@@]12CC[C@@H](CO1)C2 2272729959 ARNUHYABLUIIOT-SMOQUIODSA-N 460.938 5.495 50 10 JKGE Cc1ccc([C@@H](Br)Cc2cc(Br)cc(Br)c2)cc1F 2277963377 UFAXUBWOLLHBLG-AWEZNQCLSA-N 450.971 6.338 50 10 JKGE Fc1cc([C@H](Br)Cc2c(Cl)cccc2Cl)c(Cl)cc1Br 2282966690 KXPONPWVTMNKMR-SECBINFHSA-N 461.383 7.227 50 10 JKGE N#CC(=Cc1ccc(-c2ccc(Cl)c([N+](=O)[O-])c2)o1)C(=O)Nc1ccc(Br)cc1 2293034610 FRWCRVZITMYQPS-UHFFFAOYSA-N 472.682 5.816 50 10 JKGE COc1cc(C=CC(=O)Oc2ccc([N+](=O)[O-])cc2)ccc1OCc1ccc(Br)cc1 2294609809 LOUWXDJCBLIFAV-UHFFFAOYSA-N 484.302 5.564 50 10 JKGE COc1cc(C=C(C#N)C(=O)NCc2ccccc2)c(Br)cc1OCc1ccc(C)cc1 2294619954 RJLBPQAESXLHSR-UHFFFAOYSA-N 491.385 5.569 50 10 JKGE CCOc1cc(C=C(C#N)C(=O)Nc2c(C)cc(C)cc2C)ccc1OC(=O)c1ccccc1 2295459688 NTAIOWGAKKVTHM-UHFFFAOYSA-N 454.526 5.775 50 10 JKGE CC(C=NNC(=O)CSc1nc2ccccc2n1Cc1ccccc1Cl)=Cc1ccccc1 2297458078 IIFQQIBJLOVQSA-UHFFFAOYSA-N 475.017 6.036 50 10 JKGE N#CC(=Cc1cc([N+](=O)[O-])c(N2CCCCC2)cc1N1CCCCC1)c1nc2ccccc2[nH]1 2297617169 LXDVBVJYZBELPX-UHFFFAOYSA-N 456.550 5.516 50 10 JKGE C[C@@H]1CCC[C@@H]([C@H](Br)c2cc(Br)ccc2OCc2ccccc2)O1 2299497713 XRQHGOZBKCKYIH-VOBQZIQPSA-N 454.202 6.422 50 10 JKGE Cl[C@H](c1ccc(OCc2ccccc2)cc1)c1ccc(OCc2ccccc2)cc1Br 2299529698 FJJDTSKKGNWTAF-HHHXNRCGSA-N 493.828 7.935 50 10 JKGE CCC(F)(F)C(C)(C)[C@@H](Br)c1cc(Br)ccc1OCc1ccccc1 2314453306 VKJHRCMGDUYBPQ-SFHVURJKSA-N 476.199 7.536 50 10 JKGE N#CC(=C(O)c1ccc(-c2ccc([N+](=O)[O-])cc2)o1)c1nc(-c2ccc(Br)cc2)cs1 2314457875 HOAUCZMBAUQNFM-UHFFFAOYSA-N 494.326 6.691 50 10 JKGE Cc1cccc([C@H](Br)c2cc(Br)ccc2OCc2ccccc2)c1F 2314491353 QQRLVQHDPQNEJO-FQEVSTJZSA-N 464.172 6.960 50 10 JKGE CCOc1cc(C=C2C(=O)N([C@H](C)c3ccccc3)C(=O)C(C#N)=C2C)ccc1OCCC(C)C 2314618927 WWMCPDCTAFCKLX-OAQYLSRUSA-N 472.585 5.864 50 10 JKGE C[C@H](C1CCC1)[C@@H](Br)c1c(Cl)cc(Br)c(F)c1Br 2315439244 BUKCZNIPCUKCDV-KSBSHMNSSA-N 463.410 6.876 50 10 JKGE Cc1ccc2nc(-c3ccc(NC=C(C#N)C(=O)Nc4ccc(Br)cc4)cc3)sc2c1 2324090822 SUXUSDZHNBUERD-UHFFFAOYSA-N 489.398 6.492 50 10 JKGE CCOC(=O)c1ccccc1NC(=O)C(C#N)=CNc1cc(C(F)(F)F)cc(C(F)(F)F)c1 2324430304 OBRDUXOOBYKIJL-UHFFFAOYSA-N 471.357 5.359 50 10 JKGE CC(C)(C)OC(=O)NCCCCCC(=O)NN=Cc1cccc(OCc2ccc(Cl)cc2)c1 2328835269 BKYFCRWLMKSHKT-UHFFFAOYSA-N 474.001 5.454 50 10 JKGE Cc1ccc(N2C(=O)c3ccc(C(O)=C(C#N)c4nc(C(C)(C)C)cs4)cc3C2=O)c(C)c1 2331306190 MSPGMTNZLZRMOG-UHFFFAOYSA-N 457.555 5.808 50 10 JKGE N#CC(=C(O)CCCCCNC(=O)c1ccccc1)c1nc(-c2ccc3c(c2)OCO3)cs1 2331334920 UTWRPXSIPYNYNZ-UHFFFAOYSA-N 461.543 5.322 50 10 JKGE COc1cc(OC)cc(C(O)=C(C#N)c2nc(-c3cc(C(C)(C)C)ccc3OC)cs2)c1 2331349328 KTRUGSPIJCYIHB-UHFFFAOYSA-N 450.560 6.083 50 10 JKGE CCCCC1CCC(C(O)=C(C#N)c2nc(-c3ccc(Oc4ccccc4)cc3)cs2)CC1 2331358968 KYVSBNUJBWTLMD-UHFFFAOYSA-N 458.627 8.392 50 10 JKGE COc1c(Cl)cc(-c2csc(C(C#N)=C(O)COc3ccc(C)cc3C)n2)cc1Cl 2331396534 KXINAQNEXGKZKA-UHFFFAOYSA-N 461.370 6.614 50 10 JKGE CCOc1cc(C=C(C#N)c2nc(-c3ccc(C)c(C)c3)cs2)ccc1OCC(=O)N(CC)CC 2331472880 CKFSRVKJTCFLQS-UHFFFAOYSA-N 489.641 6.137 50 10 JKGE Cc1cc(Br)c(C)c([C@@H](Br)[C@@H]2C[C@@H]3CC[C@H]2C3)c1Br 2334322002 OGHBHWDDLUOYRG-JBBSTSQOSA-N 451.040 6.701 50 10 JKGE COc1ccc([C@@H](Cl)c2cc(Br)ccc2OCc2ccccc2)c(Cl)c1 2336039200 UOSPYPZHQAFPAU-OAQYLSRUSA-N 452.175 7.018 50 10 JKGE Brc1cc(OCc2ccccc2)ccc1[C@H](Br)c1ccc2sccc2c1 2336050487 KXZMXSBEBIZGFT-JOCHJYFZSA-N 488.244 7.727 50 10 JKGE Brc1ccc(OCc2ccccc2)c([C@@H](Br)c2cc3c(s2)CCOC3)c1 2336052507 BAONMLGLKAPRRT-OAQYLSRUSA-N 494.248 6.647 50 10 JKGE C[C@@H]1CC[C@@](C)([C@H](Br)c2ccc(OCc3ccccc3)cc2Br)C1(C)C 2336052560 BIFVCIACYBRFRI-VZPUWSDOSA-N 480.284 7.927 50 10 JKGE Brc1cc(OCc2ccccc2)ccc1[C@H](Br)c1ccc2scnc2c1 2336071621 FENDJVVNRFBLDB-OAQYLSRUSA-N 489.232 7.122 50 10 JKGE CCCc1sc(Br)cc1[C@@H](Br)Cc1ccccc1Br 2338019400 DCKPYMXMDMKVCC-ZDUSSCGKSA-N 467.064 6.904 50 10 JKGE Cc1cc(Br)c(F)c(Br)c1[C@H](Br)C[C@@H]1OCC[C@@H]1C 2339681681 KRFUDCKMQYYFBF-NMLBEHRDSA-N 458.991 5.910 50 10 JKGE Fc1cccc([C@H](CBr)Cc2ccc(Cl)cc2I)c1 2341048523 JTIHBWXNHJOLNM-LBPRGKRZSA-N 453.520 5.805 50 10 JKGE COc1cc(F)c(Br)cc1[C@H](Br)c1csc(C)c1Br 2343559200 UYEWSBQTJYFDCJ-ZDUSSCGKSA-N 472.999 6.214 50 10 JKGE ClC[C@@H](NCc1ccc(I)c(Br)c1)C1CCCCC1 2349830144 QOMIJLUDPWMJMZ-OAHLLOKOSA-N 456.593 5.331 50 10 JKGE CN(c1cc(Br)cc(F)c1CBr)[C@H]1C[C@@H]2C[C@H](OCc3ccccc3)C[C@H]12 2357089506 LURSPPNXVJAWLR-DBSRCYSRSA-N 497.246 6.303 50 10 JKGE Fc1cc(Cl)c(Br)c(Cl)c1[C@H](Br)c1cc2c(s1)CCC2 2360493633 RENUHDWOBFMNAM-CYBMUJFWSA-N 459.005 6.930 50 10 JKGE FC1(F)CC2(C1)CC(CBr)(Cc1ccc(Cl)c(I)c1)C2 2362380731 SQKDBRQRNOXTAA-UHFFFAOYSA-N 475.542 6.078 50 10 JKGE COc1c(Br)cc(C)c([C@H](Br)[C@@H]2[C@H]3C[C@@H]4[C@H]2[C@@H]4C3)c1Br 2365217052 AGXJZPFQGUHFTL-GSHKPOEJSA-N 465.023 5.867 50 10 JKGE COc1nc(COc2c(Br)cc(Br)cc2CBr)sc1C 2381356873 QHGHEXIYJLJARS-UHFFFAOYSA-N 486.023 5.459 50 10 JKGE CC[C@H](Oc1ccccc1[C@H](C)CC)C(=O)NNC(=O)COc1ccccc1-c1ccccc1 10682265 QAXZJVQOOJSYNL-YKSBVNFPSA-N 460.574 5.251 50 10 JKGE CCOc1cc(/C=C(/C#N)c2ccc([N+](=O)[O-])cc2)ccc1OCCOc1ccc([C@H](C)CC)cc1 16610564 YPDZUXGTNGETKQ-IMQIKVDYSA-N 486.568 7.029 50 10 JKGE Cc1ccc(-c2csc(/C(C#N)=C/Nc3ccc(S(=O)(=O)Nc4cc(C)on4)cc3)n2)cc1 17051807 ZOQLIHOLBIKRLS-QGOAFFKASA-N 477.571 5.192 50 10 JKGE COc1cc(/C=C(/C#N)c2ccccc2OC)ccc1OC(=O)CC(c1ccccc1)c1ccccc1 31901949 CFMIHELRXOXUFS-XHPQRKPJSA-N 489.571 6.896 50 10 JKGE N#C/C(=C/c1cccc(OC(=O)/C=C/c2ccc(Cl)cc2Cl)c1)c1cccc(Cl)c1 31902518 OQBXELNXRVHNHN-OVYHWSPPSA-N 454.740 7.330 50 10 JKGE CCN(CC)S(=O)(=O)c1ccc(C(=O)Oc2cccc(/C=C(/C#N)c3ccccc3F)c2)cc1 31902813 OFRJMJIUSMEGSA-PGMHBOJBSA-N 478.545 5.140 50 10 JKGE N#C/C(=C/c1ccc(-c2cccc(Cl)c2)o1)C(=O)Nc1ncc(Cc2ccccc2Cl)s1 33339920 JLNGRVWGBRXSIT-BOPFTXTBSA-N 480.376 6.846 50 10 JKGE Cc1cc(/C=C(/C#N)C(=O)N2CCc3ccccc3C2)c(C)n1-c1ccc(Br)cc1 33681975 YYYRQAXVMRGQMT-HMAPJEAMSA-N 460.375 5.349 50 10 JKGE Cc1ccc2c(O)nc(/C(C#N)=C/c3ccc(-c4cc(C(F)(F)F)ccc4Cl)o3)nc2c1 35519117 LUJVQNCPWXBDQG-UKTHLTGXSA-N 455.823 6.640 50 10 JKGE CCCN1C(=O)C(C#N)=C(C)/C(=C\c2ccc(OCc3ccc(Cl)cc3Cl)c(OCC)c2)C1=O 38603537 WCMNQSLHQFBBAJ-RGVLZGJSSA-N 499.394 5.973 50 10 JKGE COc1ccc(C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@@H]3c2ccc(C(C)(C)C)cc2)cc1 38649695 BOUWVVFWEVHSBF-RUZDIDTESA-N 454.526 5.430 50 10 JKGE CCCCCOc1ccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4cccc(C)c4)ccc32)cc1OC 38660223 DOOCDKVYKXXCFF-NDEPHWFRSA-N 498.579 6.010 50 10 JKGE Cc1c(C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@@H]3c2cccc3ccccc23)oc2ccc(F)cc12 38688555 UQWRVTGEHKWZAY-HHHXNRCGSA-N 490.490 6.471 50 10 JKGE Cc1ccc(C(=O)NNC(=O)CCCc2c(-c3ccc4ccccc4n3)[nH]c3ccc(F)cc23)cc1 39867625 BISOSHBSUXIQEB-UHFFFAOYSA-N 480.543 5.615 50 10 JKGE Cc1cc(C)c2[nH]c(-c3ccccc3)c(/C=C(\C#N)C(=O)Nc3ccc(Cl)c(Cl)c3)c2c1 58833750 CQVLGNDJDRBXKL-LDADJPATSA-N 460.364 7.304 50 10 JKGE C[C@@H](NC(=O)/C(C#N)=C/c1ccccc1OCc1ccc(Cl)cc1Cl)c1ccccc1 59297284 BOYVFECPFXPBSQ-VYVDHXHBSA-N 451.353 6.357 50 10 JKGE CC(C)[C@@H](C)/C=C/[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 70696951 UIBBRXVBQYADRW-LVDAEEOTSA-N 477.571 8.072 50 10 JKGE Cc1cc(OCCn2cc(/C=C(/C#N)C(=O)NC3CCCCC3)c3ccccc32)ccc1Cl 96577910 FEEZTTBUJAGFFQ-SILNSSARSA-N 461.993 6.038 50 10 JKGE N#C/C(=C/c1cccc(NC(=O)c2ccc(Cl)cc2Cl)c1)C(=O)Nc1ccccc1C(=O)O 97990757 NQIXDABZZUKWIK-GDNBJRDFSA-N 480.307 5.490 50 10 JKGE N#C/C(=C/Nc1ccccc1SC(F)(F)F)c1nc(-c2ccc(Br)cc2)cs1 102420558 JFUQVLOMAXPGMY-RAXLEYEMSA-N 482.350 7.161 50 10 JKGE Cc1ccc(Sc2ccc(/C=C(/C#N)c3nc(-c4ccc(Cl)cc4)cs3)s2)cc1 103033547 HMOPAFUVMLRUQX-ATVHPVEESA-N 451.041 8.049 50 10 JKGE COc1cc(Br)c([C@H](Br)c2ccc(F)cc2Br)cc1OC 109860365 ABVYTNFOMZOVBM-OAHLLOKOSA-N 482.969 5.852 50 10 JKGE CO[C@@H]1C[C@H]2[C@@H]3CC[C@H]([C@H](C)CI)[C@@]3(C)CC[C@@H]2[C@@]2(C)CC[C@H]3C[C@]312 136807023 PIDUBCKMZBAFGU-IQKSEEQLSA-N 456.452 6.341 50 10 JKGE COc1cc(Cl)c([C@@H](Br)c2c(F)cc(Br)cc2F)cc1Cl 164539596 IEHTYNDZPARMON-CQSZACIVSA-N 460.927 6.527 50 10 JKGE CCCCOc1ccc(/C=N\NC(=O)c2ccc3nc(SC(C)C)[nH]c3c2)cc1OCC 169917848 NCOWEDHZWQWHQC-MYYYXRDXSA-N 454.596 5.405 50 10 JKGE N#C/C(=C/c1cn(Cc2ccccc2)c2ccccc12)C(=O)Nc1sc2c(c1C#N)CCCC2 209663782 NLDUMKJXXVXFAX-ZHZULCJRSA-N 462.578 6.047 50 10 JKGE Brc1cc([C@@H](Br)c2ccc3c(c2)CCCO3)c(Br)s1 232484681 JMDXFJVPCCQQAH-ZDUSSCGKSA-N 467.020 6.082 50 10 JKGE COc1c(C)cc([C@@H](Br)c2cc(Cl)ccc2I)cc1C 234919569 WIPFTULNSIOQRB-OAHLLOKOSA-N 465.556 6.054 50 10 JKGE Clc1ccc([C@H](Cl)c2cc(Br)ccc2I)cc1Cl 236033740 HRHPBQRIKROCEQ-ZDUSSCGKSA-N 476.366 6.689 50 10 JKGE Fc1c(Br)cccc1[C@@H](Br)c1csc2c(Br)cccc12 236125534 IQEYSRRQEJDWOR-CYBMUJFWSA-N 479.006 7.050 50 10 JKGE COc1ccc(-c2cc(C(=O)NN=Cc3cc4c(cc3Cl)OCO4)c3ccccc3n2)c(OC)c1 252619948 LUTPEBRZOFPALP-UHFFFAOYSA-N 489.915 5.065 50 10 JKGE CC(C[P+](c1ccccc1)(c1ccccc1)c1ccccc1)=NN=C/C=C\c1ccccc1[N+](=O)[O-] 254369463 YNHNLDXDIPITBQ-FFPCRYJESA-N 492.539 6.049 50 10 JKGE C[C@H](Cl)c1nc2cc(I)c(F)cc2n1[C@@H]1CCN(Cc2ccccc2)[C@@H]1C 312566480 YWPMLCTYZPBBMK-IQUTYRLHSA-N 497.783 5.915 50 10 JKGE C[C@@H](Cl)c1nc2cccnc2n1-c1ccc(Br)c(I)c1 380057267 UBXRSBGXIXPTCP-MRVPVSSYSA-N 462.516 5.087 50 10 JKGE C[C@@H]1CCN(c2ccc(CBr)c(Br)c2)CCN1Cc1ccccc1 382661550 RZUCAEGFOWUEBY-MRXNPFEDSA-N 452.234 5.445 50 10 JKGE Cc1oc(Br)cc1[C@@H](Br)c1cc(Br)cc2c1OCC2 396490969 LBFUVYDRIKGNCA-CYBMUJFWSA-N 450.952 5.532 50 10 JKGE BrCC(CBr)(CCC[C@H]1CCOC1)c1ccccc1Br 400644886 LSKVDQAQXOLOEW-ZDUSSCGKSA-N 469.055 5.684 50 10 JKGE CC(C)(C)[Si](C)(C)OCCc1ccc([C@@H]2CCCN(CCO[Si](C)(C)C(C)(C)C)C2)cc1 616621420 SWVQRRFTEUDGTC-RUZDIDTESA-N 477.882 7.452 50 10 JKGE Cc1sc(Br)cc1[C@@H](Br)Cc1ccc(Br)cc1F 692782182 OAPCCFVLOPREJV-NSHDSACASA-N 457.000 6.399 50 10 JKGE Cc1ccc([C@H](Br)c2cc(F)cc(Br)c2)c(C)c1Br 719532827 CADPETVKYUMGHY-OAHLLOKOSA-N 450.971 6.452 50 10 JKGE CCCCc1ccc([C@H](Cl)c2ccc(I)c(Br)c2)cc1 721572505 LNBRTFOSQPBEOW-KRWDZBQOSA-N 463.584 6.725 50 10 JKGE CC(C)c1ccc([C@@H](Br)c2ccc(I)c(Br)c2)cc1 721603629 NDQUSODBOPOCJE-MRXNPFEDSA-N 494.008 6.661 50 10 JKGE CCOc1ccc([C@@H](O)CCC(=O)NN=Cc2ccc(OCc3ccccc3F)c(OCC)c2)cc1 1084590115 XAAUMCRQWMKAPL-VWLOTQADSA-N 494.563 5.166 50 10 JKGE CC(C)[C@H]1CC[C@@H](C)C[C@@H]1OC(=O)[C@H](C)Oc1cccnc1NC(=O)Oc1ccc([N+](=O)[O-])cc1 1858695112 MFYQUDMGWDVCJX-FIBVWIARSA-N 485.537 5.372 50 10 JKGE N#CSc1ccc(NC(=O)c2cc(CCc3ccccc3)n(Cc3ccc(F)cc3)n2)cc1 1862326837 NHOTYSWPMSUFOM-UHFFFAOYSA-N 456.546 5.681 50 10 JKGE CCCn1nc(C(F)(F)F)c2c1OC(N)=C(C#N)[C@@H]2c1ccc(OCc2ccccc2)c(OC)c1 1865687106 JOEPQCQYWRTPKJ-FQEVSTJZSA-N 484.478 5.118 50 10 JKGE CCCOc1cccc([C@H]2C(C#N)=C(N)Oc3c2c(CCC)nn3Cc2cc(C)ccc2C)c1 1865693595 KVRHUFUPNGJETO-VWLOTQADSA-N 456.590 5.508 50 10 JKGE N#CC1=C(N)Oc2c(c(-c3ccccc3)nn2Cc2ccccc2Cl)[C@H]1c1ccc(F)cc1F 1865702377 UKYNRONWCYPMNJ-QFIPXVFZSA-N 474.898 5.748 50 10 JKGE CC(C)Oc1ccccc1[C@@H]1C(C#N)=C(N)Oc2c1c(-c1ccccc1)nn2-c1ccc(Cl)cc1 1865705097 MEVSOVDKFACMOX-XMMPIXPASA-N 482.971 6.198 50 10 JKGE C/C(=N\NC(=O)c1ccc(-c2ccc(Cl)c(Cl)c2)nc1C)c1ccc(Br)cc1 1865763283 DKBCCVWJMCQAHU-RPPGKUMJSA-N 477.189 6.280 50 10 JKGE Cc1c(OCc2cccc(CCl)c2)ccc2c1O/C(=C\c1cccc(Br)c1)C2=O 1871437348 SSUILONHEZGWLL-UUYOSTAYSA-N 469.762 6.692 50 10 JKGE CCOc1cc(/C(O)=C(\C#N)c2nc(-c3ccc(OC)c(C)c3)cs2)cc(OCC)c1OCC 1872745211 XWMWDJYWCJEJPI-CLCOLTQESA-N 480.586 6.273 50 10 JKGE COc1ccc(-c2csc(/C(C#N)=C(\O)[C@H](C)Oc3ccccc3C(C)C)n2)cc1OC 1872745318 HLFZUIPYEOIMMS-WGCOJADFSA-N 450.560 6.211 50 10 JKGE COc1cc(/C=C/C(O)=C(\C#N)c2nc(-c3ccc4c(c3)CCCC4)cs2)ccc1OC(C)=O 1872745416 MAXNZNMWPQEAKW-KSZJPLNNSA-N 472.566 6.129 50 10 JKGE CCOc1ccc(CC/C(O)=C(\C#N)c2nc(-c3ccc4c(c3)CCCC4)cs2)cc1OC 1872745487 PATCKQWQJMGVFA-GYHWCHFESA-N 460.599 6.522 50 10 JKGE CCOc1cc(/C(O)=C(\C#N)c2nc(-c3cc(C)ccc3C)cs2)cc(OCC)c1OCC 1872749964 QAMNQYWSZSQLQW-GFMRDNFCSA-N 464.587 6.573 50 10 JKGE N#C/C(=C(/O)CCCOc1ccc2ccccc2c1)c1nc(-c2cccc3ccccc23)cs1 1872752368 ZFNRWTUZCKEMBD-SGEDCAFJSA-N 462.574 7.768 50 10 JKGE COc1c(C)cc(Cl)cc1-c1csc(/C(C#N)=C(\O)[C@@H](C)Oc2ccc(Cl)cc2)n1 1872756983 LHSJQEDLSCABCL-MYXCPXAOSA-N 461.370 6.694 50 10 JKGE CCCCCCCOc1ccc(-c2csc(/C(C#N)=C/c3cc(OC)c(OC)cc3OC)n2)cc1 1872791191 ASDURQQEUGAXIB-PXLXIMEGSA-N 492.641 7.249 50 10 JKGE CCc1nn(C)c([C@@H](Br)Cc2cccc(Br)c2)c1Br 1877189539 AXFYWKCPLKYUKM-NSHDSACASA-N 451.000 5.186 50 10 JKGE CC(C)[C@@H](CCl)N(Cc1ccccc1)C(=O)c1cc(Br)ccc1Br 1915288651 LVWIIIMUTSCOKN-GOSISDBHSA-N 473.636 6.117 50 10 JKGE Cc1c(Br)sc([C@H](Br)[C@@H]2C(F)(F)C23CC3)c1Br 1922932153 JECQVCZVBFVWEU-XPUUQOCRSA-N 450.968 6.063 50 10 JKGE Clc1c(Br)sc(Br)c1[C@H](Br)c1cc2c(s1)CCC2 1923055580 VYBQOYLSKBWBOU-SECBINFHSA-N 491.495 6.961 50 10 JKGE C[C@H](Br)C(=O)c1c(Br)sc(Br)c1Br 1924569338 UEBQTXMZYYVBFW-REOHCLBHSA-N 455.791 5.002 50 10 JKGE Brc1sc(Br)c([C@@H](Br)[C@H]2CCCO2)c1Br 1924575969 IBQJBMVAPZDOBU-XINAWCOVSA-N 483.845 5.651 50 10 JKGE C[C@@H]1CCC[C@H]1[C@@H](Br)c1c(Br)sc(Br)c1Br 1924581073 XDWWHJFQBSRSNT-ATRFCDNQSA-N 495.900 6.908 50 10 JKGE Brc1sc(Br)c([C@H](Br)c2cnsc2)c1Br 1924611562 CHMBTNVQVRPFFG-RXMQYKEDSA-N 496.869 5.976 50 10 JKGE C[C@@H]1C[C@]1(C)[C@@H](Br)c1c(Br)sc(Br)c1Br 1924614352 YDMJJXFPSBANJC-GXEGGYKASA-N 481.873 6.518 50 10 JKGE C[C@H](Cl)c1nc2cc(I)c(F)cc2n1-c1cscc1Br 1926848055 JOZPGBPHKXDOSR-LURJTMIESA-N 485.547 5.893 50 10 JKGE C[C@H](Cl)c1nc2cc(I)ccc2n1Cc1csnc1Br 1926872763 NKUNSXDDRURXJS-ZETCQYMHSA-N 482.572 5.208 50 10 JKGE Clc1cc([C@H](Cl)c2c(Br)cccc2Br)sc1Br 1945321033 DKVSGMJKBCNWJD-JTQLQIEISA-N 479.846 7.017 50 10 JKGE C[C@]1([C@@H](Br)c2sc(Br)cc2Br)C[C@@H]1C(F)(F)F 1950756315 ZMDIXGLCSVLQHC-HQLVHBAOSA-N 456.947 6.298 50 10 JKGE C[C@@H]1CCO[C@@H]1C[C@@H](Br)c1c(Br)sc(Br)c1Cl 1951104706 GOAQMNVWUGPQGN-FSDSQADBSA-N 467.448 6.178 50 10 JKGE Clc1sccc1[C@H](Cl)c1c(Br)sc(Br)c1Br 1983218331 IGWCNIXBXVGAFU-LURJTMIESA-N 485.875 7.079 50 10 JKGE Fc1ccc(I)cc1[C@H](Br)c1cc(Cl)sc1Cl 2003650127 RJYXTVUEEKQOBQ-JTQLQIEISA-N 465.940 6.283 50 10 JKGE CCc1sc(Br)cc1[C@H](Cl)c1ccc(F)cc1I 2030224622 ZAJMOLFNIODQSI-CYBMUJFWSA-N 459.549 6.145 50 10 JKGE Fc1c(Cl)cccc1C[C@@H](Br)c1sc(Br)cc1Br 2050553367 OXIRSRRXKABSBQ-SSDOTTSWSA-N 477.418 6.744 50 10 JKGE Cc1csc(CBr)c1S(=O)(=O)N(CCC(F)(F)F)Cc1ccccc1 2059285570 AHSVDUWQVCGOFL-UHFFFAOYSA-N 456.349 5.095 50 10 JKGE C[C@H](CBr)[C@@H]1CCCCN1C(=O)c1csc(Br)c1Br 2093944936 SIJJFBCRRWUNJV-SCZZXKLOSA-N 474.056 5.299 50 10 JKGE F[C@H](CBr)C1CCN(Cc2c(Br)cccc2Br)CC1 2106954286 AALZSXSTOYLNMM-CQSZACIVSA-N 458.007 5.157 50 10 JKGE COc1cc(Br)c(OC[C@@H](CBr)CC2CC2)cc1Br 2112871910 SYCFDMTXAQTWEU-SNVBAGLBSA-N 457.000 5.410 50 10 JKGE Cc1cc(Br)c(C)c([C@H](Br)[C@H]2CCOC[C@@H]2C)c1Br 2136380913 XDEXKHREZZVCRK-CCUNJIBTSA-N 455.028 5.937 50 10 JKGE COc1cc(F)c([C@@H](Cl)c2cccc(I)c2)cc1Br 2138145510 BXDLSKOKWPYTMW-AWEZNQCLSA-N 455.492 5.530 50 10 JKGE CC[C@H](CC(F)(F)F)[C@H](Br)c1ccc(Br)c(C)c1Br 2138847992 CCZNKLFDNLUHPL-PELKAZGASA-N 466.961 6.935 50 10 JKGE Cc1c(Br)ccc([C@@H](Br)C[C@H]2COC(C)(C)C2)c1Br 2138870280 HXJKSWJMDQMIQJ-MFKMUULPSA-N 455.028 6.161 50 10 JKGE BrCc1cc(Br)c(OCC2C3(CC3)C23CC3)c(Br)c1 2139179884 VWVHNBRUSMECHE-UHFFFAOYSA-N 450.996 5.676 50 10 JKGE COc1ccc([C@@H](Cl)c2ccc(I)c(C)c2)cc1Br 2142140604 LEKXPFXKWIEWCB-HNNXBMFYSA-N 451.529 5.699 50 10 JKGE Fc1ccccc1[C@H](CBr)Cc1ccc(I)c(Cl)c1 2142940282 MNHQFMMCBDSYQF-NSHDSACASA-N 453.520 5.805 50 10 JKGE C[C@H]1Cc2cc([C@H](Cl)c3ccccc3I)cc(Br)c2O1 2146617527 ZJILLLOGVAFLIS-VFZGTOFNSA-N 463.540 5.705 50 10 JKGE BrCc1ccc(N2CCC[C@]3(CCCN(Cc4ccccc4)C3)C2)cc1Br 2163308036 UDOXSYZDWLVQNC-QHCPKHFHSA-N 492.299 6.227 50 10 JKGE BrCC(CBr)(C[C@H]1C[C@H]2CC[C@H]1O2)c1ccc(Br)cc1 2168070131 NVEZRFNLNVPPJZ-KCPJHIHWSA-N 467.039 5.434 50 10 JKGE CCc1nc([C@H](Br)c2cc(Cl)c(Cl)c(Cl)c2Cl)c(Br)s1 2169491408 VMMJQRIHQJOJHS-SSDOTTSWSA-N 498.882 7.566 50 10 JKGE C[C@@H]1Cc2cc([C@H](Cl)c3cc(Br)c(Cl)s3)cc(Br)c2O1 2172560669 SMGXZFBEOOSWJG-INWYIAFRSA-N 457.014 6.578 50 10 JKGE BrCc1cc(Br)c(OC[C@H]2C[C@@H]3CCC[C@@H]3C2)c(Br)c1 2183360181 UIGBHXVLYSQTJM-XYYAHUGASA-N 467.039 6.312 50 10 JKGE BrCc1cc(Br)cc(Br)c1OC[C@H]1C[C@@]12CCCOC2 2198174599 ABTROMVNEIUMOV-IAQYHMDHSA-N 469.011 5.302 50 10 JKGE Cc1c(Br)ccc([C@H](Br)C2(CC(F)(F)F)CCC2)c1Br 2203687271 WRZGFEYKXKHMFY-LBPRGKRZSA-N 478.972 7.079 50 10 JKGE F[C@@H]1CCC[C@@H]([C@@H](Br)c2c(Br)cc(Cl)c(Cl)c2Cl)C1 2224319578 GCOSROJXASLWAZ-OPVBNTEQSA-N 453.404 7.374 50 10 JKGE CCOCc1cc(Br)c([C@H](Br)c2cn(C)nc2Br)s1 2224786053 AJAQSQSMGDNBKV-SNVBAGLBSA-N 473.028 5.027 50 10 JKGE Fc1cc(Br)c(Br)cc1[C@H](Br)[C@H]1C[C@@]12CCCOC2 2225620330 UBKHEXCMCZDOHL-BIGNPOOSSA-N 456.975 5.603 50 10 JKGE Cc1cc(Br)cc([C@H](Cl)c2cc(Br)c(Br)cc2F)c1 2225632236 AWBRTSHOXZOGOC-AWEZNQCLSA-N 471.389 6.750 50 10 JKGE Clc1cc(Br)c([C@H](Br)C2CC(CC3CC3)C2)c(Cl)c1Cl 2232510243 GPGSVIGDKYSWDT-KJHLLKJSSA-N 461.452 7.672 50 10 JKGE CC12CC([C@H](Br)c3cc(Br)c(Br)cc3F)(C1)C(C)(C)O2 2233982514 WNIVOBICLBHMBP-LRVUVFPRSA-N 471.002 6.134 50 10 JKGE Cc1cc([C@H](Br)c2c(Br)cc(C)c(Br)c2C)ccc1Cl 2235601925 BVUCPQRJEJNHGW-INIZCTEOSA-N 481.453 7.275 50 10 JKGE Cc1cc(Br)c([C@@H](Br)[C@H]2CCCOC2(C)C)c(C)c1Br 2235608299 JBBSWHURPZADGL-ABAIWWIYSA-N 469.055 6.470 50 10 JKGE BrC[C@@]12CCCC[C@H]1CN(Cc1ccc(Br)cc1Br)C2 2238822170 BHKGWEOUZCPDMH-XJKSGUPXSA-N 466.055 5.599 50 10 JKGE Brc1cccc(Br)c1[C@@H](Br)c1ccc([C@H]2CCOC2)s1 2240431691 LJPSMFQZNXUSEL-VFZGTOFNSA-N 481.047 6.261 50 10 JKGE Cc1cc(F)c(Br)cc1C(=O)N(Cc1ccccc1)[C@@H](CBr)C1CC1 2258014730 AWLXEJIQJLHFQD-IBGZPJMESA-N 469.192 5.713 50 10 JKGE CN(Cc1ccc(I)cc1)c1cccc(Br)c1CCl 2265605369 ZHPBABFRKRWNIS-UHFFFAOYSA-N 450.545 5.429 50 10 JKGE COc1ccc([C@H](Cl)c2c(F)cccc2I)cc1Br 2267742004 VAKYLDYDGBNNLB-AWEZNQCLSA-N 455.492 5.530 50 10 JKGE COC[C@]1(C)C[C@@H]1COc1c(Br)cc(Br)cc1CBr 2269280127 MKVASZPYNOIXKZ-YGRLFVJLSA-N 457.000 5.158 50 10 JKGE Brc1coc([C@H](Br)c2cc(Br)c3c(c2)CCCO3)c1 2270490085 KZCAINPKXYSSOF-CYBMUJFWSA-N 450.952 5.614 50 10 JKGE Brc1cc(Br)cc(C[C@H](Br)[C@H]2CCCCC23CC3)c1 2277947684 JBDDOHDAPDOSPD-CABCVRRESA-N 451.040 6.488 50 10 JKGE COc1ccc([C@H](Br)c2cc(Br)c(F)cc2Cl)c(Br)c1 2285986151 QWZWWPDJDBLOBE-AWEZNQCLSA-N 487.388 6.497 50 10 JKGE Clc1cc(Br)c([C@H](Br)[C@@]23CCCC[C@H]2CC3)c(Cl)c1Cl 2288970884 JOSSSTYMYLCMGJ-UFTIBIJLSA-N 461.452 7.816 50 10 JKGE N#CC(C(=O)Nc1ccc(Cl)cc1)=C1S[C@@H](Cc2ccccc2)C(=O)N1c1ccc(Cl)cc1 2293039128 FVDFSJBWUVLYMJ-QFIPXVFZSA-N 494.403 6.058 50 10 JKGE Brc1cc(Br)cc(C[C@@H](Br)C2C[C@H]3CCC[C@H](C2)C3)c1 2295333825 OPIMSEPXGDKPCF-NVGCLXPQSA-N 465.067 6.734 50 10 JKGE Fc1cc(Br)c(Br)cc1[C@@H](Br)c1ccc2scnc2c1 2296081416 NOQUCHVURLRFAJ-AWEZNQCLSA-N 479.994 6.445 50 10 JKGE N#CC(=Cc1ccc(-c2ccc(Br)cc2)o1)C(=O)Nc1cc([N+](=O)[O-])ccc1Cl 2297306971 PEPUCKCJXBRCFP-UHFFFAOYSA-N 472.682 5.816 50 10 JKGE CSc1cccc(NC(SCc2ccc(C)cc2)=C(C#N)S(=O)(=O)c2ccccc2)c1 2297349982 JMGUZVQNAAMAMS-UHFFFAOYSA-N 466.653 6.229 50 10 JKGE O=C1NC(=NNC(=O)c2cccc3ccccc23)SC1=Cc1ccccc1OCc1ccccc1 2297553895 IUDNZJUSQNSRSC-UHFFFAOYSA-N 479.561 5.324 50 10 JKGE Cc1nc(Br)c([C@H](Br)c2cc(Br)c(Cl)s2)n1C 2300267563 LQMKYQWITYTFKY-SSDOTTSWSA-N 463.420 5.453 50 10 JKGE FC1(F)CCCC[C@@H]1[C@H](Br)c1sc(Cl)cc1I 2300998110 OSGFZLHWIOTHSR-MUWHJKNJSA-N 455.533 6.268 50 10 JKGE COc1cc(C=C(C#N)C(=O)Nc2ccc(N(C)C)cc2)ccc1OCc1ccc(Cl)cc1Cl 2313511384 LXBHBIXCAJCXPK-UHFFFAOYSA-N 496.394 6.193 50 10 JKGE C=CCOc1c(Br)cc(C=C(C#N)C(=O)Nc2ccc(Cl)cc2)cc1OCC 2313518545 ILXPTJFJVMPFEP-UHFFFAOYSA-N 461.743 5.612 50 10 JKGE COc1cc(NC(=O)C(C#N)=Cc2ccc(-c3ccc(Br)c(C)c3C)o2)ccc1Cl 2313549490 XQOKWZJOJOCIIZ-UHFFFAOYSA-N 485.765 6.534 50 10 JKGE COc1c(Br)cc(C=C(C#N)C(=O)Nc2cccc(Cl)c2Cl)cc1[N+](=O)[O-] 2313570813 GTNVAOVTGPYEKN-UHFFFAOYSA-N 471.094 5.218 50 10 JKGE CC(C)[C@@H]1CCC[C@H]1[C@H](Br)c1cc(Br)ccc1OCc1ccccc1 2314440374 PACFPVQXWPDENT-JQVVWYNYSA-N 466.257 7.536 50 10 JKGE Fc1ccc([C@@H](Br)c2cc(Br)ccc2OCc2ccccc2)c(F)c1 2314487326 GQFYUHCDXIWNPM-HXUWFJFHSA-N 468.135 6.791 50 10 JKGE Cc1cccc(C[C@@H](Br)c2cc(Br)ccc2OCc2ccccc2)c1 2314503069 OSJHXQWRJIVUAU-OAQYLSRUSA-N 460.209 7.015 50 10 JKGE Cc1c(Cl)sc(Cl)c1[C@H](Cl)c1cc(Br)ccc1I 2314513962 ROPHNWBMNIHUET-SNVBAGLBSA-N 496.422 7.059 50 10 JKGE CCOc1ccc(N2C(=O)[C@H](Cc3cccc(C)c3)SC2=C(C#N)C(=O)Nc2ccc(C)cc2)cc1 2314592457 UJBZWMYMMNDLHZ-SANMLTNESA-N 497.620 5.767 50 10 JKGE CCCN1C(=O)C(=Cc2cn(-c3ccccc3)nc2-c2cc3ccccc3o2)C(C)=C(C#N)C1=O 2314611053 PEVXRXHWMVUXIY-UHFFFAOYSA-N 462.509 5.288 50 10 JKGE COc1ccc(CN2C(=O)C(=Cc3ccc(-c4cc(Cl)ccc4Cl)o3)C(C)=C(C#N)C2=O)cc1 2314616443 AOFYWPFDZGXWEB-UHFFFAOYSA-N 493.346 6.054 50 10 JKGE Cc1ccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)C=Cc4ccc(C(C)(C)C)cc4)ccc32)cc1 2314634244 MPIOMULAOMKZEF-MUUNZHRXSA-N 464.565 6.130 50 10 JKGE FC1(F)CCC[C@@H]2[C@H]([C@H](Br)c3sc(Cl)cc3I)[C@@H]21 2316657900 CSUHIMIDWMMREK-NZENMJELSA-N 467.544 6.124 50 10 JKGE COc1ccc(-c2csc(C(C#N)=C(O)[C@H]3CC(=O)N([C@@H](C)c4ccccc4)C3)n2)cc1C 2331259323 PTYWFEIYAORJSR-PXNSSMCTSA-N 459.571 5.530 50 10 JKGE CCc1cccc(C)c1N1C[C@H](C(O)=C(C#N)c2nc(-c3ccc(OC)cc3)cs2)CC1=O 2331273538 NXRZAFCQMOXDII-LJQANCHMSA-N 459.571 5.535 50 10 JKGE N#CC(=C(O)c1ccc2c(c1)C(=O)N(C1CCCCC1)C2=O)c1nc(-c2ccc3c(c2)OCO3)cs1 2331333906 MHFPXUXMARJINE-UHFFFAOYSA-N 499.548 5.417 50 10 JKGE CCOc1ccc(-c2csc(C(C#N)=C(O)COc3cc(C)c(Cl)c(C)c3)n2)c(OCC)c1 2331386540 KXBOLYAJEVPQNK-UHFFFAOYSA-N 485.005 6.749 50 10 JKGE N#CC(=Cc1ccc(OCc2ccc(Cl)cc2)cc1)c1nc(-c2cc(Cl)ccc2Cl)cs1 2331488581 GXNWLGLTLUDXIE-UHFFFAOYSA-N 497.834 8.413 50 10 JKGE Fc1cc(Br)c(F)c(Br)c1[C@@H](Br)[C@H]1C[C@@H]2CC[C@H]1O2 2334719051 BJMYIYRNQKQWIU-AXPQPMNGSA-N 460.938 5.493 50 10 JKGE CO[C@@H]1C[C@@H]([C@H](Br)c2cc(Br)ccc2OCc2ccccc2)C12CCC2 2336040350 FASYRPWEAXQJGQ-CEWLAPEOSA-N 480.240 6.669 50 10 JKGE Cc1cc(Br)c(F)c(Br)c1[C@@H](Br)[C@@H]1CCC2(CC2)C1 2339681665 KNKQOHBQJMBCRF-SKDRFNHKSA-N 455.003 6.675 50 10 JKGE ClCc1ccc(OCc2ccc(Cl)cc2I)cc1Br 2340110147 MLIQDPIDMGYSQC-UHFFFAOYSA-N 471.947 6.025 50 10 JKGE COc1cc([C@H](Br)c2ccc(Br)c(C)c2Br)sc1Cl 2340289267 WEQZWIYJSLSDIP-GFCCVEGCSA-N 489.454 6.728 50 10 JKGE ClCc1ccc(Br)c(Cl)c1OCc1cccc(I)c1 2341783569 RRJMTZRLTRDSCJ-UHFFFAOYSA-N 471.947 6.025 50 10 JKGE Brc1cc(CN2C[C@@H]3CCC[C@@H](Br)[C@H]3C2)ccc1I 2349834251 JQQWSPXAKLLHPF-RWMBFGLXSA-N 499.028 5.049 50 10 JKGE ClCCC[C@@H]1CCCCN1Cc1ccc(I)c(Br)c1 2349862203 YPIUCIOXTJNKNX-ZDUSSCGKSA-N 456.593 5.427 50 10 JKGE CCc1cc(Br)c(OC)c([C@H](Br)c2occc2Br)c1 2353046191 PZZOVJCRQZFLQD-LBPRGKRZSA-N 452.968 5.860 50 10 JKGE Clc1ccc(CN2C[C@@H]3CCC[C@@](CBr)(C3)C2)cc1I 2362372996 IMURRIVJZFXQET-CJNGLKHVSA-N 468.604 5.332 50 10 JKGE ClCc1c(Oc2cc(Br)cc(I)c2)nc2ccccn12 2364256403 LCBXIWXCVOYVSN-UHFFFAOYSA-N 463.500 5.233 50 10 JKGE CCCC[C@H](C)CC[C@@H](Br)c1c(C)cc(Br)c(F)c1Br 2365194834 VRDMDKMCEUTULD-CMPLNLGQSA-N 473.062 7.702 50 10 JKGE COc1c(Br)cc(C)c([C@H](Br)[C@@H]2CCCC[C@@H]2C)c1Br 2365236302 OCFLADQABZSTLZ-DRCTWCGVSA-N 469.055 6.791 50 10 JKGE CN(Cc1c(Br)cccc1Br)c1cccc(Cl)c1CBr 2366185349 UNHKZMQLCJDURI-UHFFFAOYSA-N 482.441 6.396 50 10 JKGE CC(C)O[C@@H]1CCC[C@H]1Oc1c(Br)cc(CBr)cc1Br 2371026171 PXHRDJWDXVICLR-ZIAGYGMSSA-N 471.027 5.831 50 10 JKGE CC(C)[S@@](=O)(=NCC1(CBr)CC(C)(C)C1)[C@@H]1CCN(C(=O)OC(C)(C)C)C1 2371134317 UHZIEKRIFPHMJB-JWIGPWBQSA-N 465.498 5.074 50 10 JKGE Cc1cc(Cl)c(Br)cc1[C@@H](Br)c1cc(F)c(Cl)cc1Cl 2379736257 JDZLCDHEHSEJPZ-CQSZACIVSA-N 461.383 7.341 50 10 JKGE CCCCC/C(=N\NC(=O)COc1ccc(Br)cc1Br)c1ccccc1 12584002 JTXPPBCRLUFBDY-PTGBLXJZSA-N 482.216 5.691 50 10 JKGE N#C/C(=C\c1ccc(-c2cc(C(F)(F)F)ccc2Cl)o1)C(=O)Nc1cc(Cl)cc(Cl)c1 35519119 GPSWSXDFQJSBGR-VZUCSPMQSA-N 485.676 7.471 50 10 JKGE CC1=C(C#N)C(=O)N(C2CCCCC2)C(=O)/C1=C/c1cn(-c2ccccc2)nc1-c1ccc(C)cc1 38608010 DHYAURPYTCYIHK-YZSQISJMSA-N 476.580 5.773 50 10 JKGE COc1ccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)Cc4cccc5ccccc45)ccc32)cc1 38650362 COXZTFVDZVKUKB-NDEPHWFRSA-N 462.505 5.215 50 10 JKGE CCCCOc1ccc(C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@@H]3c2ccccc2OCC)cc1 38650505 UXFMHDXQDPIMRZ-HHHXNRCGSA-N 484.552 5.702 50 10 JKGE CCCCOc1ccccc1C(=O)Oc1ccc2c(c1)OC(N)=C(C#N)[C@H]2c1ccccc1OCC 38650568 CJQKTDIAVIFDKV-MHZLTWQESA-N 484.552 5.702 50 10 JKGE N#CC1=C(N)Oc2cc(OC(=O)C(c3ccccc3)c3ccccc3)ccc2[C@H]1c1ccccc1F 38652339 VACRRXHESORGPR-MUUNZHRXSA-N 476.507 5.781 50 10 JKGE CCCCOc1cccc(C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@H]3c2cccc(OCCC)c2)c1 38684474 MQPXMPVOQWTXNQ-NDEPHWFRSA-N 498.579 6.092 50 10 JKGE COc1c(Cl)cc(C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@@H]3c2ccc(C)o2)cc1Cl 38688677 CUSLRSQZXWUMOL-HXUWFJFHSA-N 471.296 5.341 50 10 JKGE CCc1ccc(Oc2nc3ccccn3c(=O)c2/C=C(/C#N)C(=O)Nc2cccc(Cl)c2)cc1 39858638 KFNCNPSJOZGMEX-JXAWBTAJSA-N 470.916 5.248 50 10 JKGE COc1ccc(NC(=O)c2oc3c(c2C)/C(=N/NC(=O)c2cccc4ccccc24)CCC3)c(OC)c1 40813580 LURZLOMLXGLRCV-UQRQXUALSA-N 497.551 5.481 50 10 JKGE COc1cccc(C(=O)N/N=C2\CCCc3oc(C(=O)Nc4ccc(C(C)C)cc4)c(C)c32)c1 40822257 MIBLKBJOEABKLA-QUPMIFSKSA-N 459.546 5.443 50 10 JKGE COc1cc(/C=N\NC(=O)CC[C@H](O)c2ccccc2)cc(Cl)c1OCc1ccccc1Cl 58889793 UDZKMRSYAKPKTR-WHXCVRPHSA-N 487.383 5.545 50 10 JKGE CCOc1cc(/C=C(\C#N)C(=O)Nc2cc(C)ccc2C)ccc1OCc1ccc(Cl)cc1Cl 59198811 YHUFEBMZAOHVQU-CIAFOILYSA-N 495.406 7.134 50 10 JKGE COc1ccc(C(=O)N/N=C/c2ccc(OCc3cccc4ccccc34)c(OC)c2)cc1OC 59447368 DCUITZVLSGNCOM-STBIYBPSSA-N 470.525 5.209 50 10 JKGE C[C@@H](COc1ccccc1)Cn1cc(/C=C(/C#N)C(=O)Nc2nc3ccccc3s2)c2ccccc21 102443669 QMEOXNBTCDSPFJ-YLCCHKQJSA-N 492.604 6.512 50 10 JKGE Cc1ccc(C[C@H]2S/C(=C(\C#N)C(=O)Nc3cc(C)ccc3C)N(c3ccccc3)C2=O)cc1 102973474 QOHBFJHXUYYQRG-ZDDKYUFNSA-N 467.594 5.677 50 10 JKGE CCOC(=O)c1c(N/C=C(/C#N)c2nc(-c3ccc4c(c3)OCO4)cs2)sc2c1CCC2 105069308 SKDIIORWBRZPCL-UVTDQMKNSA-N 465.556 5.242 50 10 JKGE CCOc1ccc(Br)cc1[C@H](Br)c1cc(C)c(Br)s1 126052809 KLWLSOPHWMVBRJ-ZDUSSCGKSA-N 469.036 6.465 50 10 JKGE Cc1cc(Br)c([C@H](Br)c2csc3ccccc23)cc1Br 128798036 GBTBZVWNDROLOA-INIZCTEOSA-N 475.043 7.219 50 10 JKGE Clc1ccsc1[C@H](Br)c1cc(Br)c(Br)s1 128882939 IMPVVUOSDBVJRR-SSDOTTSWSA-N 451.430 6.472 50 10 JKGE COc1cc(C)c(Br)cc1[C@@H](Br)c1cc(C)cc(Br)c1 132011423 AWCAPHLTHNTKHN-INIZCTEOSA-N 463.007 6.321 50 10 JKGE Cc1ccc(C[Si](C)(O[Si](C)(Cc2ccc(C)cc2)c2ccccc2)c2ccccc2)cc1 205099985 JJCDKXMYQOYYDX-UHFFFAOYSA-N 466.773 6.149 50 10 JKGE CCCCOc1ccc(/C=C(/C#N)C(=O)Oc2ccc(C(=O)Nc3ccc(C)cc3C)cc2)cc1 206415360 LACSCXFNXLDWHJ-MOHJPFBDSA-N 468.553 6.247 50 10 JKGE Cc1ccc2nc(-c3ccc(N/C=C(/C#N)C(=O)NCc4ccc(Cl)cc4)cc3)sc2c1 216954714 XKKSNMNXJDNZBL-CYVLTUHYSA-N 458.974 6.061 50 10 JKGE COc1cc(Br)ccc1[C@H](Br)c1cc(Br)cc2c1OCC2 228442055 CKRZJSAXZVQAKD-HNNXBMFYSA-N 476.990 5.639 50 10 JKGE COc1cc(F)c(Br)cc1[C@@H](Br)c1cc(C)cc(Br)c1 234862640 AMLYHKOMQHRLDH-HNNXBMFYSA-N 466.970 6.152 50 10 JKGE COc1ccc([C@@H](Br)c2cc(I)ccc2Br)c(C)c1 234975542 ZNECUDMCEWJESN-OAHLLOKOSA-N 495.980 5.855 50 10 JKGE CCCCCOc1ccccc1CN1C(=O)C(=NNC(=O)COc2ccc(C)cc2)c2ccccc21 245283794 OXFMBJRWPKVXHN-UHFFFAOYSA-N 485.584 5.010 50 10 JKGE CC(=NNC(=O)c1sc2cc(C)ccc2c1Cl)c1cccc(NC(=O)c2ccco2)c1 254395780 WSWMKKYIFKUGSC-UHFFFAOYSA-N 451.935 5.862 50 10 JKGE Cc1ccccc1C(=O)Oc1ccc(C=NNC(=O)c2ccc(-n3c(C)ccc3C)cc2)cc1 254559574 YGADUGKCFPGBID-UHFFFAOYSA-N 451.526 5.386 50 10 JKGE FC(F)C(F)(F)COc1c(Br)cc(Br)cc1CBr 311063085 XLJCPUFNLRHQQQ-UHFFFAOYSA-N 458.869 5.386 50 10 JKGE Cc1cc(CCl)cc(S(=O)(=O)N(Cc2ccccc2)[C@H](C)C2CC2)c1Br 385332619 TXXNEERRYIWWKF-OAHLLOKOSA-N 456.833 5.486 50 10 JKGE Cc1cc(F)c([C@@H](Br)c2cc(Br)cc(Br)c2)cc1C 395839618 HDHJTSDEDYHVBJ-HNNXBMFYSA-N 450.971 6.452 50 10 JKGE O=C(c1cc(Br)sc1Br)N1CCC(CCCBr)CC1 401059764 WPZGEGWKGCSAEQ-UHFFFAOYSA-N 474.056 5.300 50 10 JKGE Cl[C@H](c1cc(Br)c(Br)s1)c1nscc1Br 404711913 NFADNWLNBHRQEP-ZCFIWIBFSA-N 452.418 5.820 50 10 JKGE CC(C)(C)[Si](C)(C)OCc1ccccc1[C@H]1COCCCN1S(=O)(=O)c1ccccc1 616646900 CNQPSVNPBOOIGB-HSZRJFAPSA-N 461.700 5.361 50 10 JKGE COCc1cc(Br)c([C@@H](Br)c2ccc(Br)c(Cl)c2)s1 688148323 UMDQHRLEHYJDIB-LBPRGKRZSA-N 489.454 6.557 50 10 JKGE C[C@@H](Cl)c1nc2ccc(F)c(Br)c2n1C[C@H]1CCN(Cc2ccccc2)C1 689775968 SYZCKSQOQGETMP-ZBFHGGJFSA-N 450.783 5.760 50 10 JKGE Brc1cc([C@H](Br)c2cc3cscc3s2)sc1Br 694335717 OPSORZZGXPNNKZ-SNVBAGLBSA-N 473.074 7.034 50 10 JKGE C[C@H]1CN(Cc2ccccc2)C[C@@H]1Cn1c(CCCl)nc2cc(I)ccc21 708576069 VHCOPMZQABAWJN-FUHWJXTLSA-N 493.820 5.190 50 10 JKGE COCc1cc(C)nc2sc(C(=O)NN=Cc3c(O)ccc4ccccc34)c(-n3cccc3)c12 1081098367 WZAONCMWZNSVGW-UHFFFAOYSA-N 470.554 5.165 50 10 JKGE Cc1cc(/C=C(\C#N)C(=O)N(C)C)c(C)n1-c1ccc(OCc2ccc(Cl)cc2Cl)cc1 1084272622 PBYKWWIBKNJZCC-UDWIEESQSA-N 468.384 5.975 50 10 JKGE COc1cc(C=NNC(=O)c2ccc(-n3c(C)ccc3-c3ccccc3)cc2)cc(Cl)c1O 1084284374 ADADNZSHXGYYCC-UHFFFAOYSA-N 459.933 5.584 50 10 JKGE Cc1ccc(OC(=O)c2oc3c(c2C)C(=NNC(=O)Cc2coc4cc(C)cc(C)c24)CCC3)cc1 1772752096 WYMZFTIBEWWRRG-UHFFFAOYSA-N 484.552 5.878 50 10 JKGE Cc1ccc(COc2ccc(C=NNC(=O)COc3ccc(C)cc3Br)cc2)cc1 1772754198 QIVRIVAVRNPPKI-UHFFFAOYSA-N 467.363 5.174 50 10 JKGE COc1ccc(-c2nn(-c3ccccc3Cl)c3c2[C@@H](c2cccc(O)c2)C(C#N)=C(N)O3)cc1 1865681671 SQHLCNJPQYQCEO-QFIPXVFZSA-N 470.916 5.125 50 10 JKGE COc1ccc(-c2nn(-c3ccc(OC)cc3)c3c2[C@H](c2ccccc2Cl)C(C#N)=C(N)O3)cc1 1865685105 FPVPHOCVPBIFKZ-HSZRJFAPSA-N 484.943 5.428 50 10 JKGE Cc1ccc(O)c([C@@H]2C(C#N)=C(N)Oc3c2c(C(F)(F)F)nn3-c2ccc(Cl)c(Cl)c2)c1 1865687041 HZPMAVPBOWKHAO-MRXNPFEDSA-N 481.261 5.430 50 10 JKGE CCCOc1ccc([C@H]2C(C#N)=C(N)Oc3c2c(CCC)nn3-c2ccccc2Cl)cc1OCC 1865688726 ZEKASTACPLRVIV-DEOSSOPVSA-N 493.007 5.884 50 10 JKGE C=CCOc1ccccc1[C@H]1C(C#N)=C(N)Oc2c1c(CC)nn2Cc1ccc(Cl)c(Cl)c1 1865691395 QTTPHORWFOVKBO-QFIPXVFZSA-N 481.383 5.584 50 10 JKGE CCCc1nn(CC)c2c1[C@@H](c1ccc(OCc3ccc(Cl)cc3)c(OC)c1)C(C#N)=C(N)O2 1865701313 SARNLAGHJICGLY-QHCPKHFHSA-N 478.980 5.315 50 10 JKGE COc1ccc(-c2nn(Cc3cc(C)ccc3C)c3c2[C@@H](c2ccccc2OC)C(C#N)=C(N)O3)cc1 1865709401 BMCALMZPLPTUGO-SANMLTNESA-N 492.579 5.451 50 10 JKGE COc1cccc(-c2ccc(C(=O)N/N=C\c3cccc(OCc4ccccc4)c3)c(C)n2)c1 1865760612 GVNUFABZBYHMIR-MIXAMLLLSA-N 451.526 5.409 50 10 JKGE CCC[C@@H](NC(=O)CCc1nc(-c2ccc(OC)cc2)cs1)C(=O)Nc1ccc(SC#N)cc1 1867071575 YGVCSUBFGFESPR-OAQYLSRUSA-N 494.642 5.248 50 10 JKGE CCCCc1ccc(-c2csc(/C(C#N)=C(\O)[C@H]3CC(=O)N([C@H](C)c4ccccc4)C3)n2)cc1 1872744872 MLSCTQKRUWYZBP-CRYWXQOFSA-N 471.626 6.555 50 10 JKGE COc1ccc(/C=C/C(O)=C(\C#N)c2nc(-c3ccc(Cl)c(Cl)c3)cs2)cc1OC 1872748651 HIQKLSBICWWNSU-ORQKXEGWSA-N 459.354 6.640 50 10 JKGE COc1c(Cl)cc(-c2csc(/C(C#N)=C(\O)[C@@H](C)Oc3ccccc3C(C)C)n2)cc1Cl 1872756251 VQOJWXGTJPSOSA-CHOFAJOMSA-N 489.424 7.509 50 10 JKGE COc1ccc(-c2csc(/C(C#N)=C(\O)COc3ccc(Cl)cc3Cl)n2)cc1Cl 1872757867 ZVCBQLNGPHGQEY-LGMDPLHJSA-N 467.761 6.651 50 10 JKGE N#C/C(=C(/O)c1cccc(Oc2ccccc2)c1)c1nc(-c2cc(Cl)ccc2Cl)cs1 1872758638 JHMBGAMMNQLNTB-ATJXCDBQSA-N 465.361 7.859 50 10 JKGE Brc1ccccc1[C@H](CI)OCCOCc1ccccc1 1884493725 IJNMZBHFTBLSSG-KRWDZBQOSA-N 461.137 5.159 50 10 JKGE Brc1cc(Br)c([C@H](Br)[C@H]2C[C@H](Br)C2)s1 1893084914 JKBOPYRPMURWFZ-OKMMGKLZSA-N 467.846 5.883 50 10 JKGE Cc1cc([C@@H](Cl)c2sc(Cl)cc2I)c(Br)s1 1900917295 ASXVCXJXPAPDGK-MRVPVSSYSA-N 468.006 6.467 50 10 JKGE CCN(c1ccc(CBr)c(Br)c1)[C@@H]1CCN(Cc2ccccc2)C1 1915067649 OBECJMNVNPQCSU-LJQANCHMSA-N 452.234 5.445 50 10 JKGE Brc1cc(Br)c([C@H](Br)c2ccc3sccc3c2)s1 1922892128 QBDBQVPRDCPJBB-GFCCVEGCSA-N 467.045 6.972 50 10 JKGE Cn1ncc(Br)c1[C@H](Br)c1sc(Br)cc1Br 1922896252 CTXYEYFAVUUOQJ-ZETCQYMHSA-N 493.844 5.253 50 10 JKGE Cc1c(Br)sc([C@H](Br)c2nn(C)c(Cl)c2Cl)c1Br 1922931691 FGPSBDFVHGEUDA-RXMQYKEDSA-N 497.865 6.106 50 10 JKGE Fc1ccc(C[C@H](Br)c2c(Br)sc(Br)c2Cl)cc1 1923040998 XVDKLJVQMARKDG-QMMMGPOBSA-N 477.418 6.744 50 10 JKGE Brc1sc(Br)c([C@H](Br)[C@@H]2[C@H]3CCC[C@H]32)c1Br 1924576734 RSIYVKREWSBRNA-FZGKIIIMSA-N 493.884 6.518 50 10 JKGE O=C(N[C@H](CBr)CC1CCCC1)c1csc(Br)c1Br 1926739924 GNEGNINEWNMUNI-VIFPVBQESA-N 474.056 5.347 50 10 JKGE CC1(C)CO[C@@H]([C@@H](Cl)c2c(Br)sc(Br)c2Br)C1 2001533158 KNDGPUSUVQDGBF-SVGQVSJJSA-N 467.448 6.131 50 10 JKGE C[C@@]1([C@@H](Br)c2c(Br)sc(Br)c2Cl)CCCOC1 2015965865 UVMVNIJWNJGNEJ-GZMMTYOYSA-N 467.448 6.179 50 10 JKGE Brc1cc([C@H](Br)[C@@]23CCCC[C@@H]2OCC3)sc1Br 2031753551 ZZQJJPYBDNEZFN-GMXVVIOVSA-N 459.041 6.058 50 10 JKGE Cc1sc(C)c([C@@H](Br)c2c(Br)cccc2Br)c1C 2033090935 LFBBDFCXKOGHFD-CQSZACIVSA-N 453.037 6.683 50 10 JKGE CC[C@H](Br)CN(C(=O)c1scc(Br)c1Br)C1CC1 2045276533 YGQUDDTVITVWHU-ZETCQYMHSA-N 460.029 5.051 50 10 JKGE CCN(C[C@@](C)(CI)OC[C@H]1CC12CCCCC2)C(=O)OC(C)(C)C 2077649049 LBUQVECJBICENJ-VQIMIIECSA-N 465.416 5.424 50 10 JKGE Fc1cc(Br)c([C@@H](Br)c2occc2Br)c(F)c1Cl 2081837662 CYVHKYXIOMHQNT-MRVPVSSYSA-N 465.313 6.221 50 10 JKGE C[C@H]1Cc2cc([C@@H](Br)c3occc3Br)cc(Br)c2O1 2090470551 OZABOLNSHNVWFY-JVXZTZIISA-N 450.952 5.612 50 10 JKGE CC1(C)CCN(C(=O)c2scc(Br)c2Br)C[C@H]1CBr 2092236745 NWVLMWNFJBNXET-MRVPVSSYSA-N 474.056 5.156 50 10 JKGE Clc1c(Br)sc(Br)c1[C@@H](Br)[C@H]1CCn2nccc2C1 2108964242 BSZFBLNIBPLERJ-RCOVLWMOSA-N 489.458 5.822 50 10 JKGE Cc1nc([C@@H](Br)c2cc3c(cc2Br)OCC3)c(Br)s1 2113188553 AFXIZVOAKQLLFS-NSHDSACASA-N 468.008 5.396 50 10 JKGE Fc1c(Cl)cccc1C[C@@H](Br)c1cc(Br)cc(Br)c1 2113464472 WNYVWRRJICYFGG-GFCCVEGCSA-N 471.389 6.683 50 10 JKGE Cc1cc(Br)c(CBr)c(N(C)Cc2sccc2Br)c1 2116805245 DHEJRBFCAFYJMZ-UHFFFAOYSA-N 468.052 6.113 50 10 JKGE Clc1ccc([C@H](CBr)Cc2cc(Br)ccc2Br)cc1 2118524852 NRGDYUOZXISVBF-LBPRGKRZSA-N 467.426 6.586 50 10 JKGE Fc1ccc([C@@H](Br)CCc2cc(Br)ccc2Br)cc1 2118532643 RHEQYWFHGQPFCU-AWEZNQCLSA-N 450.971 6.420 50 10 JKGE Clc1sc(Br)c(Cl)c1[C@H](Br)c1ccc2nsnc2c1 2120650804 KFZSNQCPXSUYAV-MRVPVSSYSA-N 459.015 6.306 50 10 JKGE CC(C)(C)[C@H]1[C@H](Br)CCN1Cc1ccc(Br)cc1Br 2128675909 LBXGITPKLWISOS-TZMCWYRMSA-N 454.044 5.596 50 10 JKGE C[C@@]12CC[C@@](CBr)(C1)N(Cc1cc(Cl)ccc1I)C2 2134804129 UTWMIPWXKQOAEA-CABCVRRESA-N 454.577 5.084 50 10 JKGE CC(C)(C)OC(=O)N1CCC[C@](CI)(OC[C@@H]2C[C@H]2C2CCCCC2)C1 2135788468 JFTIEIXWEBNROT-BBTUJRGHSA-N 477.427 5.424 50 10 JKGE CCCc1nc(Br)c(Br)n1C[C@H](CBr)c1ccccc1 2143939334 DYPLXIOJCQBQKG-LBPRGKRZSA-N 465.027 5.539 50 10 JKGE Clc1cc([C@@H](Br)c2cc3c(cc2Br)OCCO3)sc1Cl 2156049786 JCIKMCXLPJRMPG-LBPRGKRZSA-N 458.986 6.073 50 10 JKGE Cc1csc([C@@H](Br)c2cc(Br)cc3c2O[C@@H](C)C3)c1Br 2157029997 SUHCCUZXNHCVSE-SDBXPKJASA-N 481.047 6.389 50 10 JKGE COc1cc(Br)c(C)cc1[C@H](Br)c1c(Cl)cccc1Br 2169467249 NITNGELESBRVRJ-HNNXBMFYSA-N 483.425 6.666 50 10 JKGE FC1(F)CC2(C1)CC(CBr)(Cc1cc(Br)ccc1Br)C2 2175149954 NXZXUJAVLLCLIN-UHFFFAOYSA-N 472.993 6.345 50 10 JKGE C[C@@H](c1cccs1)N(Cc1ccccc1)S(=O)(=O)c1ccc(CBr)c(Cl)c1 2179776528 VMLKDKDXWYSTPI-HNNXBMFYSA-N 484.868 6.249 50 10 JKGE COc1cc(Cl)c([C@H](Cl)c2c(Br)sc(C)c2C)cc1Br 2202356612 MZWAHQIAUUTBSM-ZDUSSCGKSA-N 459.030 6.880 50 10 JKGE Cc1c(Br)ccc([C@H](Br)C2(C)CCCCCCC2)c1Br 2203706365 RTINVTMQBXBIRH-INIZCTEOSA-N 467.083 7.707 50 10 JKGE Fc1cc(Br)c(Br)cc1[C@@H](Br)[C@H]1COCCC1(F)F 2225619979 PDOIZFUQWOBNFY-RDDDGLTNSA-N 466.917 5.459 50 10 JKGE Fc1cc(Br)c2nc(CCCl)n(C[C@@H]3CC3(Br)Br)c2c1 2233041729 UREHNOUUDIMWLV-ZETCQYMHSA-N 489.408 5.225 50 10 JKGE COc1cc(Br)c([C@@H](Br)c2ccc(F)c(Br)c2)cc1C 2236010709 QZPWSUGHADELBV-HNNXBMFYSA-N 466.970 6.152 50 10 JKGE Fc1cc(Br)cc(F)c1[C@H](Br)Cc1ccc(Br)cc1Cl 2237453155 MASGCFIPHNTROI-SNVBAGLBSA-N 489.379 6.822 50 10 JKGE COc1cc(Br)c(C)cc1[C@@H](Br)c1sc(C)c(C)c1Br 2237628831 AJVSTBKKKCENHK-CQSZACIVSA-N 483.063 6.691 50 10 JKGE FC(F)(F)Oc1ccc(Cl)cc1[C@@H](Br)c1cc(Br)cs1 2239624376 KGQTWLWFRMBSKK-LLVKDONJSA-N 450.501 6.547 50 10 JKGE Fc1cc(Br)c(F)c(Br)c1[C@@H](Br)[C@H]1C2C[C@@H]3C1[C@@H]3C2 2272748354 UZOWMMGMHSMECR-VXOCLOKXSA-N 456.950 5.828 50 10 JKGE C[C@H](CC(F)(F)F)[C@@H](Br)c1c(F)cc(Br)c(F)c1Br 2272855496 XEYRCRQCLJMMPA-SPGJFGJESA-N 474.887 6.514 50 10 JKGE Cc1cc(Br)c([C@@H](Br)CCC2CC(C)C2)c(C)c1Br 2274619241 HRBDUDUQGFMVGE-LDUAJXOISA-N 453.056 7.091 50 10 JKGE COc1ccc([C@H](Br)[C@@]2(C)CCCC(F)(F)C2)cc1I 2285005070 VFXBYCCTZFVHJZ-KBPBESRZSA-N 459.112 5.951 50 10 JKGE C=CCC1(CBr)CCN(Cc2cccc(Br)c2Br)CC1 2287732603 SZBLOFGKMWADJI-UHFFFAOYSA-N 466.055 5.765 50 10 JKGE COc1cc(C=C(C#N)c2nc3ccc(C)cc3[nH]2)cc(Br)c1OCc1ccccc1 2293311803 YEHXCOJAWPJUFE-UHFFFAOYSA-N 474.358 6.286 50 10 JKGE CN(Cc1cccc(Br)c1Br)[C@@H](CBr)c1ccccc1 2296333547 FUMONDCPRWJSCO-HNNXBMFYSA-N 462.023 5.780 50 10 JKGE CCOC(=O)c1c(NC(=O)C(C#N)=Cc2ccc(-c3ccc(Cl)cc3)o2)sc2c1CCCC2 2296495457 OWGKZZJCNYZUEA-UHFFFAOYSA-N 480.973 6.263 50 10 JKGE Cc1ccc(NC(=O)C(C#N)=C2S[C@@H](Cc3ccc(C)c(Cl)c3)C(=O)N2c2ccccc2)cc1 2296506697 ANEVWJGZELZNRA-DEOSSOPVSA-N 488.012 6.022 50 10 JKGE CCCCOc1ccc(-c2nn(-c3ccccc3)cc2C=C(C#N)S(=O)(=O)c2ccc(C)cc2)cc1 2296706708 KZWFZBFQULVELV-UHFFFAOYSA-N 497.620 6.365 50 10 JKGE Cc1cc(C)c(NC(SCc2cc(C)ccc2C)=C(C#N)S(=O)(=O)c2ccccc2)c(C)c1 2297350163 JGDLZJFCJXEVMM-UHFFFAOYSA-N 476.667 6.741 50 10 JKGE N#CC(=Cc1ccc(OCC(=O)c2ccccc2)cc1)c1nc(-c2cccc3ccccc23)cs1 2297368683 WEYYWXWJDBVHJH-UHFFFAOYSA-N 472.569 7.289 50 10 JKGE COc1cc(C=C(C#N)c2nc3cc(C)c(C)cc3[nH]2)ccc1OCC(=O)Nc1cccc([N+](=O)[O-])c1 2297379159 RFLVVJOVYZCMPX-UHFFFAOYSA-N 497.511 5.178 50 10 JKGE CCc1ccc(NC(=O)C(C#N)=Cc2cn(-c3ccccc3)nc2-c2ccc(OC)c(OC)c2)cc1 2297488346 GQPPWVCMCSJORZ-UHFFFAOYSA-N 478.552 5.665 50 10 JKGE CCOC(=O)C(C#N)=CC=C(c1ccc(Cl)cc1)N1CCN(c2cccc(Cl)c2)CC1 2297534929 HIZXSUCRLQLQGQ-UHFFFAOYSA-N 456.373 5.170 50 10 JKGE Brc1cc(OCc2ccccc2)ccc1[C@@H](Br)C1COCCOC1 2299493225 KPXVBQNSZLNRBB-IBGZPJMESA-N 456.174 5.127 50 10 JKGE Brc1cc(OCc2ccccc2)ccc1[C@H](Br)CC1CCCCC1 2299494549 IFEVPDIRDJBLTO-HXUWFJFHSA-N 452.230 7.435 50 10 JKGE CCCC(CBr)(CBr)Cc1ccc(Cl)cc1I 2302330220 ZOIARRJVFOIIQR-UHFFFAOYSA-N 494.436 6.063 50 10 JKGE COc1cc(C=C(C#N)C(=O)Nc2cccc(C)c2C)cc(Br)c1OCc1ccccc1 2313518086 HCGDUUBLIIVIJV-UHFFFAOYSA-N 491.385 6.199 50 10 JKGE Cc1ccc(COc2ccc(Br)cc2C=C(C#N)C(=O)Nc2cccc(C)c2C)cc1 2313667053 DWHGMQDZBCSGMQ-UHFFFAOYSA-N 475.386 6.499 50 10 JKGE Cc1ccccc1NC(=O)C(C#N)=Cc1cn(Cc2ccc(Cl)c(Cl)c2)c2ccccc12 2313667309 KMTGOCCGMALHRI-UHFFFAOYSA-N 460.364 6.851 50 10 JKGE CCOc1cc(C=C(C#N)C(=O)Nc2ccc(CC)cc2)ccc1OCc1ccc(Cl)c(Cl)c1 2313671087 CKXLXKBPGYGFNC-UHFFFAOYSA-N 495.406 7.079 50 10 JKGE COC[C@@H]1CC[C@@H]([C@@H](Br)c2ccc(OCc3ccccc3)cc2Br)C1 2314444528 LQDYTTKJKORYAM-CBGDNZLLSA-N 468.229 6.527 50 10 JKGE Clc1ccc([C@@H](Cl)c2cc(Br)ccc2OCc2ccccc2)cc1Cl 2314503399 RPUMKRANYUZYCB-HXUWFJFHSA-N 456.594 7.663 50 10 JKGE CCn1c(C)c(C=NNC(=O)c2ccc3nc(-c4ccccc4Cl)[nH]c3c2)c2ccccc21 2323744057 SGAQCJASSJFHGN-UHFFFAOYSA-N 455.949 5.930 50 10 JKGE COc1ccc(Cl)cc1NC=C(C#N)C(=O)N1CCN(C(c2ccccc2)c2ccccc2)CC1 2324598945 MCVMWWORURLAAH-UHFFFAOYSA-N 487.003 5.102 50 10 JKGE CCOc1ccc(C=CC(=O)NCc2ccc(OC(=O)Nc3ccc(SC#N)cc3)cc2)cc1 2329395598 QJKVPOZZRZEIKO-UHFFFAOYSA-N 473.554 5.599 50 10 JKGE COC(=O)c1ccc2c(O)nc(C(C#N)=Cc3ccc(OCc4ccc(C)cc4)cc3)nc2c1 2331045416 NRXQCNIMKDRNIP-UHFFFAOYSA-N 451.482 5.074 50 10 JKGE COc1ccc(-c2csc(C(C#N)=C(O)CCCOc3ccc(Cl)cc3Cl)n2)cc1F 2331337560 JEKQNTCHVAVAQK-UHFFFAOYSA-N 479.360 6.916 50 10 JKGE COc1ccc(C(C)(C)C)cc1-c1csc(C(C#N)=C(O)C(c2ccccc2)c2ccccc2)n1 2331349276 GXXMAZDQCCHKBJ-UHFFFAOYSA-N 480.633 7.741 50 10 JKGE COc1c(Cl)cc(Cl)cc1-c1csc(C(C#N)=C(O)c2ccc(NS(C)(=O)=O)cc2)n1 2331362575 CIHKMMGXMHWPMA-UHFFFAOYSA-N 496.397 5.447 50 10 JKGE CCOc1ccc(OCC)c(-c2csc(C(C#N)=C(O)COc3cc(C)c(Cl)c(C)c3)n2)c1 2331376416 BMHPRWZRSGGUQV-UHFFFAOYSA-N 485.005 6.749 50 10 JKGE CCCCCOc1ccc(C=C(C#N)c2nc(-c3ccc(OC)cc3OC)cs2)cc1OC 2331473388 RUZIEZGBMFAAHM-UHFFFAOYSA-N 464.587 6.469 50 10 JKGE Clc1cc(I)c([C@H](Br)[C@@H]2CC[C@@H]3CCCC[C@H]3C2)s1 2338773947 SPHWEXNEEMHRGP-KZWBYHQPSA-N 473.645 7.049 50 10 JKGE ClCc1cc(Cl)cnc1OCc1cc(I)ccc1Br 2341552159 LEZMCUKZGCTHFJ-UHFFFAOYSA-N 472.935 5.420 50 10 JKGE Cc1cc(Br)c([C@H](Br)C23CC(C[C@H](C)O2)C3)cc1Br 2342328714 LXXJORYOPAMPIP-SWNPZRGKSA-N 453.012 5.914 50 10 JKGE Brc1cc2c(cc1[C@@H](Br)c1ccsc1Br)CCCO2 2343580746 OHHAMROAZFYXLU-ZDUSSCGKSA-N 467.020 6.082 50 10 JKGE COc1c(F)c(F)cc([C@@H](Br)c2sc(Cl)cc2Br)c1F 2361165792 MTEIZMLPSWSRLL-MRVPVSSYSA-N 450.501 6.074 50 10 JKGE FC1(F)C[C@]12CCC[C@@H]([C@@H](Cl)c1cc(Br)ccc1OCc1ccccc1)C2 2361212108 VFBHKXLVQIOYKY-MAODMQOUSA-N 455.770 7.524 50 10 JKGE Fc1c(Br)cc(Cl)c([C@@H](Br)[C@H]2CC3(CCC3)CO2)c1Br 2362236986 QYDLTAZTKPTCMY-KOLCDFICSA-N 491.420 6.399 50 10 JKGE Cc1c([C@H](Cl)c2ccc(Br)c(C)c2Br)ccc(Cl)c1Cl 2364531669 BFBPSNQMMIRZFG-HNNXBMFYSA-N 457.420 7.463 50 10 JKGE CC(C)(C)[C@@H]1CC[C@H]1[C@H](Br)c1c(Cl)cc(Br)c(F)c1Br 2369225654 KNCRIWXCNIAZQK-RWYTXXIDSA-N 491.464 7.512 50 10 JKGE C=CCNC(=O)/C(C#N)=C\c1cn(-c2ccccc2)nc1-c1ccc(OCCCCCC)cc1 33530770 SQXYHZBYVACTRG-NMWGTECJSA-N 454.574 5.708 50 10 JKGE CCOC(=O)/C(C#N)=C\c1cc(Cl)c(OCCOc2ccc([C@@H](C)CC)cc2)c(OC)c1 33604260 YADKEAYJJRITAU-IZQLPPHKSA-N 457.954 5.790 50 10 JKGE CCC[C@@H](C)c1nc(N2CCCN(C(=O)C(C)(C)CCl)CC2)c2cnn(-c3ccccc3)c2n1 35925927 CNLHJHSKOTVJKM-LJQANCHMSA-N 483.060 5.023 50 10 JKGE N#CC1=C(N)Oc2cc(OC(=O)Cc3ccccc3)ccc2[C@@H]1c1ccc(Cl)c(Cl)c1 38656109 AGCOACUOBRYEIA-QHCPKHFHSA-N 451.309 5.360 50 10 JKGE CCCCOc1ccc(C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@@H]3c2ccccc2OCCC)cc1 38681572 HQWZIPLSZUXQIT-MUUNZHRXSA-N 498.579 6.092 50 10 JKGE CCCCOc1cccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4ccc(C(C)(C)C)cc4)ccc32)c1 38685044 SXYLNRHQTPVGHW-NDEPHWFRSA-N 496.607 6.600 50 10 JKGE Cc1ccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4oc5c(C)c(C)ccc5c4C)ccc32)o1 38688695 UYQAVEKILHTUDJ-HSZRJFAPSA-N 454.482 5.697 50 10 JKGE CCCCc1ccc(NC(=O)/C(C#N)=C/c2ccc(-c3cc(C(F)(F)F)ccc3Cl)o2)cc1 39884494 OEGQZJDLLMUONS-GHRIWEEISA-N 472.894 7.507 50 10 JKGE Cc1ccc(OC(=O)c2oc3c(c2C)/C(=N/NC(=O)c2ccccc2Br)CCC3)cc1 40812939 RBYJBLWSEDGQST-LGUFXXKBSA-N 481.346 5.349 50 10 JKGE COc1cc(/C=N/NC(=O)COc2cc(C)c(Br)cc2C(C)C)ccc1OC(C)C 40911501 FAXDOFUBUUPZAJ-BRJLIKDPSA-N 477.399 5.206 50 10 JKGE CCOc1ccc([C@H](O)CCC(=O)N/N=C/c2ccc(-c3ccc(Br)cc3)o2)cc1 58892737 ITBPYPFGMLZWPS-JAMLUQCHSA-N 471.351 5.072 50 10 JKGE CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(F)cc2)ccc1OCc1ccc(Cl)cc1 59535011 XLPVYGZTPFKQQJ-CPNJWEJPSA-N 450.897 6.002 50 10 JKGE Fc1cc(Br)ccc1C[C@@H](CBr)Cc1cccc(Br)c1 97184801 NNQWXYTUTTULNN-LBPRGKRZSA-N 464.998 6.147 50 10 JKGE Cc1cc(=O)oc2cc(N/C=C(/C#N)c3nc(-c4ccc(Br)cc4)cs3)ccc12 102421255 UKRCRDYYWFZFDO-PTNGSMBKSA-N 464.344 5.964 50 10 JKGE N#C/C(=C/c1ccc([N+](=O)[O-])cc1)C(=O)Nc1ncc(Cc2cc(Cl)ccc2Cl)s1 102971989 CYXCPUHBMZPGOY-AUWJEWJLSA-N 459.314 5.495 50 10 JKGE Cc1ccc(NC(=O)/C(C#N)=C2/S[C@H](Cc3ccccc3C)C(=O)N2c2ccc(Cl)cc2)cc1 103742356 GBTSLOAKFWVWSE-GUNDDFSMSA-N 488.012 6.022 50 10 JKGE Cc1ccccc1N/C(SCc1ccc(Cl)cc1)=C(\C#N)S(=O)(=O)c1ccccc1 104688947 WLMGLPUHPCDWFA-FCQUAONHSA-N 455.004 6.160 50 10 JKGE Cc1cc(Br)ccc1[C@@H](Br)c1cc2[nH]c(=O)[nH]c2cc1Br 109884150 PKAFWZSMHBUWAJ-CQSZACIVSA-N 474.978 5.174 50 10 JKGE COc1ccc(C[C@@H](CBr)c2ccc(Br)cc2)cc1Br 118851332 VLSNUMORAUJZIL-ZDUSSCGKSA-N 463.007 5.941 50 10 JKGE CCOc1ccc([C@@H](Br)Cc2ccc(Br)cc2)c(Br)c1 123735653 NKCCYPQTJSGZBY-HNNXBMFYSA-N 463.007 6.289 50 10 JKGE CCOc1cc(Cl)c([C@H](Br)c2ccc(I)cc2)cc1Cl 164577332 NECNVZQYNBEURW-OAHLLOKOSA-N 485.974 6.481 50 10 JKGE CCCCCCCCCOc1ccc(/C=N\NC(=O)c2sc(N)nc2CC)c(Cl)c1 169892202 PILMTVVKMKVTBK-MYYYXRDXSA-N 451.036 5.834 50 10 JKGE CCN(/C=C(/C#N)C(=O)N1CCN(C(c2ccccc2)c2ccccc2)CC1)c1cccc(C)c1 216506734 KXPCLXZKWWTEES-VYIQYICTSA-N 464.613 5.163 50 10 JKGE COc1ccc([C@@H](Br)c2ccc(Br)c(Cl)c2)c(OC)c1Br 224854724 GFYBMUIMHKZVNG-ZDUSSCGKSA-N 499.424 6.367 50 10 JKGE CCCOc1ccc([C@H](Cl)c2cccc(Br)c2Cl)cc1Br 229002230 VEJNEMIHFNXPMC-HNNXBMFYSA-N 453.001 6.982 50 10 JKGE C[C@@H]1CCCC[C@@H]1NC(=O)[C@H](c1ccc(Cl)cc1)N(CCc1ccccc1Cl)C(=O)CCl 230274874 GVZMDHMDUGNGNW-UWSIMGETSA-N 495.878 6.040 50 10 JKGE CC(=NNC(=O)c1ccc(CSc2nc3ccccc3o2)cc1)c1ccc(Br)s1 254501425 UBKKOIKBKCNONI-UHFFFAOYSA-N 486.416 6.098 50 10 JKGE Cc1ccc(C(C)C)c(OCC(=O)NN=C2C(=O)N(Cc3cccc4ccccc34)c3ccccc32)c1 254504689 YOEQSFNGGUJPDF-UHFFFAOYSA-N 491.591 5.718 50 10 JKGE CC(=NNC(=O)c1ccc2c(c1)c(C)c(C)n2Cc1ccccc1)c1ccc(-n2ccnc2)cc1 254582952 HWNAFVWKOQKISX-UHFFFAOYSA-N 461.569 5.646 50 10 JKGE O=C(OCc1ccccc1)N1C[C@H](c2cc(Cl)ccc2Br)[C@@H](CBr)C1 382700134 CFIHOTBSQUTBBT-YOEHRIQHSA-N 487.619 5.850 50 10 JKGE ClC[C@H]1CN(Cc2ccccc2)C[C@@H]1c1cc(Br)ccc1I 382727522 RMLRQODJELONFS-YOEHRIQHSA-N 490.610 5.508 50 10 JKGE Fc1ccc2nc(CCl)n(-c3ccc(Br)c(I)c3)c2c1 383526036 KHUOMAZEFOZBHI-UHFFFAOYSA-N 465.491 5.271 50 10 JKGE C[C@@H](Cl)c1nc2cccnc2n1-c1ccc(I)cc1Br 383569339 ZEFFIFONVRUWLD-MRVPVSSYSA-N 462.516 5.087 50 10 JKGE Cc1cc(F)c([C@@H](Br)c2cc(Br)ccc2I)cc1C 395845431 KDQYKBMHZWXVRX-OAHLLOKOSA-N 497.971 6.294 50 10 JKGE CC(C)(C)[Si](C)(C)OCc1ccc([C@@H]2CCN(S(=O)(=O)c3ccccc3)CCO2)cc1 616593173 IZWOBCKKOGWDEF-QHCPKHFHSA-N 461.700 5.361 50 10 JKGE Fc1ccc([C@@H](Br)c2cccc(Br)c2Cl)c(F)c1Br 691632931 CAFIWPHZKYGSKK-JTQLQIEISA-N 475.352 6.628 50 10 JKGE COc1cc(C)c([C@H](Br)c2scc(Br)c2Br)cc1OC 705466449 VGSABRFMECQKHZ-LBPRGKRZSA-N 485.035 6.083 50 10 JKGE Cc1cc(Br)cc(CBr)c1OCc1ncc(Br)s1 713715033 BSRJLTUULRJHNA-UHFFFAOYSA-N 455.997 5.450 50 10 JKGE COc1ccc(C)cc1[C@H](Cl)c1ccc(I)c(Br)c1 721607383 YRPZCMNVKBMYQY-OAHLLOKOSA-N 451.529 5.699 50 10 JKGE CCOc1ccc([C@@H](O)CCC(=O)NN=Cc2cn(Cc3ccc(F)cc3)c3ccccc23)cc1 725384873 APJNSVATBYRCSE-MHZLTWQESA-N 473.548 5.191 50 10 JKGE CC(=NNC(=O)[C@H](C)Nc1ccc(I)c(C)c1)c1ccc2ccccc2c1 1083968655 LROLSFAMJMEQSR-INIZCTEOSA-N 471.342 5.094 50 10 JKGE N#C/C(=C/c1ccc(OCc2ccc(Cl)c(Cl)c2)cc1)C(=O)NCc1ccc2c(c1)OCO2 1083997484 QGSACCHHYSRZLY-OCKHKDLRSA-N 481.335 5.524 50 10 JKGE O=C(NN=Cc1ccc(-c2ccc(Cl)c(Cl)c2)o1)C(=O)Nc1ccccc1Br 1084143234 AGYIAYXZQXRPFH-UHFFFAOYSA-N 481.133 5.105 50 10 JKGE N#C/C(=C/c1ccccc1OCc1ccc(Cl)cc1Cl)C(=O)Nc1cccc([N+](=O)[O-])c1 1084408073 ATBNSNOEBYIVGL-YVLHZVERSA-N 468.296 6.026 50 10 JKGE O=C(NN=Cc1cc(Br)ccc1OCc1ccccc1)c1cccc2ccccc12 1084594895 AOAGGLDBAGCVGL-UHFFFAOYSA-N 459.343 5.945 50 10 JKGE O=C(COc1ccc2cc(Br)ccc2c1Br)NN=CCCc1ccccc1 1084622112 LZMSMBLFUAIBHA-UHFFFAOYSA-N 490.195 5.478 50 10 JKGE CCOP(=O)(OCC)/C(C#N)=C\[C@@H]1[C@H](C(=O)OCc2cc3c(cc2Cl)OCO3)C1(C)C 1614949350 GJXYBBNLDJLWJR-JJRGHVIQSA-N 469.858 5.058 50 10 JKGE CCOP(=O)(OCC)/C(C#N)=C\[C@H]1[C@@H](C(=O)OCc2cccc(Oc3ccccc3)c2)C1(C)C 1614949784 NTKWPTWFPNTXBE-ZLWHGLCBSA-N 483.501 6.468 50 10 JKGE COc1ccc(Cl)cc1NC(=O)c1oc2c(c1C)C(=NNC(=O)c1cccs1)CCC2 1772750046 WAJZHJDAOCQPNK-UHFFFAOYSA-N 457.939 5.034 50 10 JKGE CCCCCCOc1ccc(C=NNC(=O)CSc2nc(-c3ccccc3)cs2)cc1OC 1772755245 WRYHRGNIKRDOTQ-UHFFFAOYSA-N 483.659 6.020 50 10 JKGE C[C@@H](C1=C(P(c2ccccc2)c2ccccc2)C=CC1)P(C1CCCCC1)C1CCCCC1 1857790311 IDTJZKXTLMCXHR-VWLOTQADSA-N 474.609 8.869 50 10 JKGE COc1ccc2ccccc2c1[C@@H]1C(C#N)=C(N)Oc2c1c(C)nn2Cc1ccc(Cl)c(Cl)c1 1865688575 VKVKNQDSCCCFES-XMMPIXPASA-N 491.378 5.927 50 10 JKGE Cc1nn(Cc2ccc(Cl)cc2)c2c1[C@H](c1ccc(OCc3ccccc3)cc1)C(C#N)=C(N)O2 1865689472 AFKZMIKERSWHTO-AREMUKBSSA-N 482.971 5.690 50 10 JKGE CCCc1nn(Cc2ccc(Cl)c(Cl)c2)c2c1[C@H](c1cccc(OCC)c1)C(C#N)=C(N)O2 1865689736 DMLWTPAZLVNKGL-JOCHJYFZSA-N 483.399 5.808 50 10 JKGE CCCn1nc(-c2ccc(OC)cc2)c2c1OC(N)=C(C#N)[C@H]2c1ccc(OCc2ccccc2)cc1 1865690290 NKTOPFICKVKIMY-AREMUKBSSA-N 492.579 5.766 50 10 JKGE Cc1nn(-c2ccccc2Cl)c2c1[C@H](c1ccc(OCc3ccccc3)cc1)C(C#N)=C(N)O2 1865690436 RAPFXSYCJRLSNU-RUZDIDTESA-N 468.944 5.631 50 10 JKGE COc1cc([C@H]2C(C#N)=C(N)Oc3c2c(-c2ccccc2)nn3C)ccc1OCc1ccc(C)cc1 1865695531 PICOWBMUCGXWQG-VWLOTQADSA-N 478.552 5.201 50 10 JKGE CCOc1ccc(-c2csc(/C(C#N)=C(\O)CCCN3C(=O)c4ccccc4C3=O)n2)cc1 1872747694 QBPWZXFVAOFHQD-XDOYNYLZSA-N 459.527 5.078 50 10 JKGE CCCOc1ccc(-c2csc(/C(C#N)=C(\O)c3cccc(Oc4ccccc4)c3)n2)cc1 1872750128 XYYHWLJMZVGKDN-LCUIJRPUSA-N 454.551 7.341 50 10 JKGE COc1ccc(-c2csc(/C(C#N)=C(\O)C(c3ccccc3)c3ccccc3)n2)c(C)c1C 1872753578 DFOVLIIWZLWFFF-VYIQYICTSA-N 452.579 7.060 50 10 JKGE COc1ccc(-c2csc(/C(C#N)=C(\O)CCCOc3ccc(Cl)cc3)n2)c(C)c1C 1872753615 GHSGANCKCFMKOD-XDOYNYLZSA-N 454.979 6.741 50 10 JKGE CCCCCCOc1ccc(/C=C(\C#N)c2nc(-c3ccc4c(c3)CCCC4)cs2)cc1OC 1872782556 NCNLVIPHNIYYNZ-PCLIKHOPSA-N 472.654 7.721 50 10 JKGE CCOc1cc(/C=C(\C#N)c2nc(-c3ccccc3)cs2)ccc1OCc1ccc(C)cc1 1872790065 IRXGBDJPXFFUIA-BUVRLJJBSA-N 452.579 7.160 50 10 JKGE COc1ccc(OC)c(-c2csc(/C(C#N)=C/c3ccc(OC(=O)c4ccccc4)c(OC)c3)n2)c1 1872791233 AIZZEPINZVZCCK-DEDYPNTBSA-N 498.560 6.119 50 10 JKGE CCCCCCCOc1ccc(-c2csc(/C(C#N)=C/c3ccc(OC)c(OC)c3)n2)cc1 1872791601 NFRHCPYJDQKGKY-CJLVFECKSA-N 462.615 7.241 50 10 JKGE CCCCCOc1ccc(/C=C(\C#N)c2nc(-c3ccc(OC)c4ccccc34)cs2)cc1OC 1872794862 ANSYNQNHIMFOGE-LTGZKZEYSA-N 484.621 7.614 50 10 JKGE CC(C)(C)OC(=O)N[C@@H](Cc1ccccc1)C(=O)N/N=C/c1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1 1873795311 XAHNOARNZAIUCF-JSKHIKRRSA-N 495.664 5.573 50 10 JKGE N#C/C(=C(/O)c1ccccc1C(=O)c1ccccc1)c1nc(-c2ccc3ccccc3c2)cs1 1873940984 QLWWHKZZIUJTCG-FVDSYPCUSA-N 458.542 7.144 50 10 JKGE ClC[C@@H](C1CC1)N(Cc1ccccc1)Cc1cccc(Br)c1Br 1915167452 VZEWDTZDEAFIDB-SFHVURJKSA-N 457.637 6.231 50 10 JKGE Cc1c(Br)sc([C@@H](Br)c2cc3c(s2)CCCCC3)c1Br 1922881093 BBBHEJIVEWIEHE-ZDUSSCGKSA-N 499.131 7.396 50 10 JKGE Clc1cc([C@@H](Cl)c2sc(Br)cc2Br)ccc1Br 1922944439 YSMJUFAOZLGJGP-SNVBAGLBSA-N 479.846 7.017 50 10 JKGE Cc1c(Br)sc([C@@H](Br)C[C@@H]2C[C@H]3CC[C@H]2C3)c1Br 1922944948 BFIHRCIFZMOXCV-NAKRPEOUSA-N 457.069 6.844 50 10 JKGE Cc1coc(C)c1[C@@H](Br)c1c(Br)sc(Br)c1Cl 1923074831 SBDZNMBCKNZZAN-MRVPVSSYSA-N 463.416 6.621 50 10 JKGE Cl[C@@H](c1c(Br)sc(Br)c1Br)[C@@H]1CCCc2ccccc21 1924600377 QOXJVXGKANMVOJ-ZWNOBZJWSA-N 499.493 7.436 50 10 JKGE COCC1(C[C@@H](Cl)c2c(Br)sc(Br)c2Br)CC1 1924604619 FMKNYBQTMCHKOA-ZCFIWIBFSA-N 467.448 6.132 50 10 JKGE COc1cc(Br)c([C@H](Br)c2csnc2Br)cc1OC 1925257700 WUQMHRYZWOQTHE-NSHDSACASA-N 471.996 5.170 50 10 JKGE Clc1c(Br)cccc1CN(Cc1ccccc1)[C@H](CBr)C1CC1 1979519527 HBXMFUPWJBBPDM-GOSISDBHSA-N 457.637 6.278 50 10 JKGE Clc1cc(Br)cnc1CN(Cc1ccccc1)C1(CBr)CCC1 1986201124 MGHQUFDTEIEEED-UHFFFAOYSA-N 458.625 5.817 50 10 JKGE Clc1cc([C@H](Br)c2c(Cl)cccc2Br)sc1Br 2003558058 OTTQZLHZUAHQGR-JTQLQIEISA-N 479.846 7.064 50 10 JKGE FC(F)(F)c1csc([C@H](Br)C2CC(Br)C2)c1Br 2020149019 WTBWHKWUUCLDQR-KGMSYRRLSA-N 456.947 6.139 50 10 JKGE CCc1sc(Br)cc1[C@H](Br)c1ccc(Cl)c(Br)c1 2030222834 RKFVBQABMGQWOI-CYBMUJFWSA-N 473.455 6.973 50 10 JKGE Cc1c(Cl)cc(C(=O)N(Cc2ccccc2)[C@H](CBr)C2CC2)cc1Br 2048495387 AZJBLTNSQDGUSQ-LJQANCHMSA-N 485.647 6.227 50 10 JKGE COc1cc(C)c([C@@H](Br)c2cc(Br)cs2)cc1Br 2078001601 PGMLPZUBONPHCF-CYBMUJFWSA-N 455.009 6.074 50 10 JKGE CCOc1ccc(C(F)(F)F)cc1-n1nc(CBr)c([N+](=O)[O-])c1C(F)(F)F 2079142702 KDBNJZZJASKHLB-UHFFFAOYSA-N 462.144 5.112 50 10 JKGE Cc1ccccc1[C@@H](c1ccccc1P(c1ccccc1)c1ccccc1)N(C)[S@@](=O)C(C)(C)C 2080761496 JMVREUXNMBRSOD-QGRQJHSQSA-N 499.660 6.237 50 10 JKGE Cc1cc(Br)c(C)c([C@H](Br)c2csc(Cl)c2)c1Br 2081082564 OULNQDSBXUGSNB-CYBMUJFWSA-N 473.455 7.028 50 10 JKGE Cc1cc([C@@H](Cl)c2ccc(Br)c(C)c2Br)c(Br)s1 2083310700 BZOYAOKHBVEBDR-LBPRGKRZSA-N 473.455 6.981 50 10 JKGE Cc1cc(Br)c([C@H](Br)C(C)(C)CC(F)(F)F)cc1Br 2089031110 UEHUMOBBVKKAIS-NSHDSACASA-N 466.961 6.935 50 10 JKGE Cc1cc(Br)c([C@H](Br)C2CCC(C)(C)CC2)cc1Br 2100837313 BBMNPXJDISJYFF-OAHLLOKOSA-N 453.056 7.172 50 10 JKGE CCc1nc([C@@H](Br)c2cc(F)c(Br)cc2F)c(Br)s1 2113182435 HHRXSIGMKFQNGH-JTQLQIEISA-N 475.978 5.993 50 10 JKGE Cc1cc(Br)c(CBr)c(N(C)[C@@H]2CC(C)(C)[C@H]2OCc2ccccc2)c1 2116804141 OJDLHNXVAGUHAA-RTWAWAEBSA-N 481.272 6.473 50 10 JKGE CC(C)(C)[C@H]1C[C@@H]1COc1c(Br)cc(Br)cc1CBr 2135639649 JSAOXVYEFBJTMZ-PWSUYJOCSA-N 455.028 6.168 50 10 JKGE Cc1c(Br)ccc([C@@H](Cl)c2c(Br)nn(C)c2C)c1Br 2138865764 RHFBYDYVAXDKED-GFCCVEGCSA-N 471.418 5.653 50 10 JKGE CC1(C)C[C@@H](n2c(CCl)nc3c(Br)cc(F)cc32)[C@H]1OCc1ccccc1 2156376469 PFSFMYHAXOWCNK-YLJYHZDGSA-N 451.767 6.233 50 10 JKGE O=C(c1cc(Br)cc(C(F)(F)F)c1)N(Cc1ccccc1)[C@H](CCl)C1CC1 2172408844 QQVCXDZVHPHGFU-GOSISDBHSA-N 460.721 6.128 50 10 JKGE BrC[C@@]12CCC[C@H]1N(Cc1cc(Br)ccc1Br)CCC2 2175152587 OPCUYOKEEROGJL-CVEARBPZSA-N 466.055 5.741 50 10 JKGE COc1c(Cl)cc(Br)cc1[C@@H](Cl)c1c(Br)sc(C)c1C 2202996725 YUZNLPFQMRFSOH-GFCCVEGCSA-N 459.030 6.880 50 10 JKGE COc1cc(F)cc([C@H](Br)c2sc(Br)cc2Br)c1 2218933456 DBZJCRKVHRMOMQ-NSHDSACASA-N 458.972 5.905 50 10 JKGE Cc1cc(C(=O)N(Cc2ccccc2)[C@H](CBr)C(C)C)cc(C)c1Br 2220196177 ZAWKXXGTHBCVAZ-LJQANCHMSA-N 467.245 6.128 50 10 JKGE Clc1cc(Cl)cc(C[C@H](Br)c2cc(Br)c(Br)s2)c1 2224023191 PSBGELGFBRWADS-VIFPVBQESA-N 493.873 7.259 50 10 JKGE ClCCc1nc2cc(Br)c(Br)cc2n1C[C@H]1C[C@@H]1Br 2225700637 GPCCDGJSEWNSSN-SFYZADRCSA-N 471.418 5.126 50 10 JKGE Cc1cc(Br)c([C@H](Br)[C@@H]2CCOC[C@@H]2C)c(C)c1Br 2227346893 GGCOJLJFHNDVFR-ZVWUFJHRSA-N 455.028 5.937 50 10 JKGE Clc1cc(Br)ccc1C[C@@H](Cl)c1cccc(Br)c1Br 2229148807 FGSRHBUSOKTUPQ-CYBMUJFWSA-N 487.844 7.150 50 10 JKGE Cc1cc([C@@H](Br)Cc2ccc(Br)cc2Cl)ccc1Br 2229152791 QZQYSYREOVGNTM-AWEZNQCLSA-N 467.426 6.852 50 10 JKGE Clc1cc(Br)c([C@@H](Br)C[C@@H]2C[C@H]3CC[C@H]2C3)c(Cl)c1Cl 2232514720 WNMJWDZAFHLSGA-XKNYDFJKSA-N 461.452 7.672 50 10 JKGE Cc1cc(Br)c([C@H](Br)[C@@H]2C[C@H]3O[C@H]2[C@H]2C[C@@H]23)c(C)c1Br 2235613773 AYRGRBZMZIZLOH-QNUWHZNLSA-N 465.023 5.688 50 10 JKGE Brc1coc([C@@H](Br)c2ccc(Br)cc2Br)c1 2244221572 GJJZIWYNGCWASS-NSHDSACASA-N 473.784 6.051 50 10 JKGE CCc1cc([C@@H](Cl)c2ccc(C)c(I)c2)sc1Br 2256051437 GBMQNBYENOUTJK-ZDUSSCGKSA-N 455.586 6.314 50 10 JKGE Fc1cc(Br)c([C@H](Br)c2cocc2Br)c(F)c1Cl 2258119823 YLGYUQOLIIYLTF-SECBINFHSA-N 465.313 6.221 50 10 JKGE CC1(C)CCC[C@@H]1[C@H](Br)c1c(F)cc(Br)c(F)c1Br 2272741398 UWCVEEGFUUSTSN-HQJQHLMTSA-N 460.982 6.752 50 10 JKGE CCC(CC)(CC)[C@H](Br)c1c(F)cc(Br)c(F)c1Br 2272742656 YMVJBACTPWOWKY-CYBMUJFWSA-N 462.998 7.142 50 10 JKGE COCC1(C[C@@H](Br)c2c(F)cc(Br)c(F)c2Br)CC1 2272854558 QLBLGAGNHCXALA-MRVPVSSYSA-N 462.954 5.743 50 10 JKGE CC(C)(C)OC(=O)N[C@@H](C[S@@](C)(=O)=NCCCCCCCBr)C(C)(C)C 2277449051 NYKXODUAGJBHNN-YHAMSUFESA-N 455.503 5.369 50 10 JKGE Brc1cc(Br)cc(C[C@@H](Br)C[C@@H]2CCCC23CC3)c1 2277955652 KLQAJOVLHHBSQI-QWHCGFSZSA-N 451.040 6.488 50 10 JKGE FC[C@]12C[C@]([C@@H](Br)Cc3cc(Br)cc(Br)c3)(CO1)C2 2277956865 QYDGFGSMJMRQTR-IHRRRGAJSA-N 456.975 5.036 50 10 JKGE COC1(C[C@@H](Br)c2c(F)cc(Br)c(F)c2Br)CCCC1 2288347718 XEBSPJYTYVKNFJ-SECBINFHSA-N 476.981 6.275 50 10 JKGE COc1ccc(Oc2ccc(-n3c(C)cc(C=C(C#N)C(=O)NCc4cccs4)c3C)cc2)cc1 2293715976 CYWGIZWETDWJOT-UHFFFAOYSA-N 483.593 6.180 50 10 JKGE Brc1cc(Br)cc(C[C@@H](Br)C(C2CCC2)C2CCC2)c1 2295337437 JXPDDJFNZPQZPB-MRXNPFEDSA-N 465.067 6.734 50 10 JKGE COc1cc(C=C(C#N)c2nc(-c3cccc([N+](=O)[O-])c3)cs2)cc(Br)c1O 2296790023 JYAHQFOASBHYLK-UHFFFAOYSA-N 458.293 5.259 50 10 JKGE COc1ccc2nc(Cl)c(C=C(C#N)c3nc(-c4cc5ccccc5oc4=O)cs3)cc2c1 2297315959 NHEQJJVYTDZJDR-UHFFFAOYSA-N 471.925 6.191 50 10 JKGE COc1ccc(-c2ccc(C=C(C#N)C(=O)Nc3cc(Cl)ccc3OC)o2)c([N+](=O)[O-])c1 2297334433 KVHBPLPXIGKWKA-UHFFFAOYSA-N 453.838 5.071 50 10 JKGE COC(=O)c1ccc(COc2ccccc2C=C(C#N)C(=O)Nc2cc(C)c(Cl)cc2OC)cc1 2297488350 HRZDXWSVVYMWLE-UHFFFAOYSA-N 490.943 5.568 50 10 JKGE Brc1ccc(OCc2ccccc2)c([C@H](Br)C[C@H]2C[C@@H]2C2CC2)c1 2299529481 BZXYGTGQQDFCRI-YVWKXTFCSA-N 450.214 6.900 50 10 JKGE C[C@@H]1CCCC[C@@H]1[C@H](Br)c1cc(Br)ccc1OCc1ccccc1 2299531023 RSJRZKKYEGWKIZ-YWMUFLPLSA-N 452.230 7.290 50 10 JKGE Cc1c(Cl)sc(Cl)c1[C@@H](Cl)c1cc(Br)c(Br)s1 2299541280 BFNAXCCKKQBSLY-ZETCQYMHSA-N 455.451 7.278 50 10 JKGE Cc1cccc(Br)c1[C@H](Cl)c1sc(Cl)cc1I 2300955227 IVWMWHMDWPLDJK-NSHDSACASA-N 461.977 6.405 50 10 JKGE Cc1cc(C)c2[nH]c(-c3ccccc3)c(C=C(C#N)C(=O)Nc3ccc(Br)cc3)c2c1 2313573238 ZVYXXHCYJZFUIO-UHFFFAOYSA-N 470.370 6.760 50 10 JKGE CCOc1cc(C=C(C#N)C(=O)Nc2cccc([N+](=O)[O-])c2)ccc1OC(=O)c1ccc(C)cc1 2313676613 KDWJXLQJLLHASQ-UHFFFAOYSA-N 471.469 5.067 50 10 JKGE Cc1cc(F)cc([C@H](Br)c2ccc(OCc3ccccc3)cc2Br)c1 2314450226 XLCSFXMWINQXRN-NRFANRHFSA-N 464.172 6.960 50 10 JKGE Brc1ccc(OCc2ccccc2)c([C@H](Br)CC(C2CC2)C2CC2)c1 2314494864 MCJMHWCCCYBYIV-OAQYLSRUSA-N 464.241 7.290 50 10 JKGE CC1CC2(C1)CC([C@H](Br)c1cc(Br)ccc1OCc1ccccc1)C2 2314495021 NMRPQYPMTZVZOK-KDFRNIBPSA-N 464.241 7.290 50 10 JKGE COc1cc(C=C2C(=O)N([C@H](C)c3ccccc3)C(=O)C(C#N)=C2C)ccc1OCc1ccc(C)cc1 2314618474 OFKQCGGEJBXDIN-JOCHJYFZSA-N 492.575 5.936 50 10 JKGE CCOc1cc(C=C(C#N)C(=O)NCc2ccco2)ccc1OC(=O)c1ccc(C(C)(C)C)cc1 2314753145 AYZPZDXGGLDHPZ-UHFFFAOYSA-N 472.541 5.418 50 10 JKGE Fc1c(Br)cc(Cl)c([C@H](Br)[C@H]2[C@H]3CCC[C@H]32)c1Br 2315445719 AABAAMFLJJNZTN-HLJYALQUSA-N 461.394 6.486 50 10 JKGE Fc1cc(Br)cc(F)c1[C@H](Cl)c1sc(Cl)cc1I 2316602164 CVFXHORNYUETBC-JTQLQIEISA-N 483.930 6.375 50 10 JKGE CCC1(CC)[C@H](Br)C[C@H]1Oc1cc(Br)cc(I)c1 2316851097 JXRDKNDXGDXXMO-CHWSQXEVSA-N 488.001 5.775 50 10 JKGE Cc1csc([C@@H](Br)c2c(C)cc(Br)c(F)c2Br)c1 2317401415 YWBRPPCSBYZWAF-LLVKDONJSA-N 457.000 6.513 50 10 JKGE COc1ccc(C(C#N)=Cc2ccc(OC(=O)C=Cc3ccc([N+](=O)[O-])cc3)cc2)cc1OC 2320506150 COPWSCXMJBRJCJ-UHFFFAOYSA-N 456.454 5.295 50 10 JKGE CC(C)CSc1ccc(C(=O)NNC(=O)C=Cc2cccc(OCc3ccccc3)c2)cc1 2321165920 CSYZXGMGZILFOG-UHFFFAOYSA-N 460.599 5.488 50 10 JKGE CCOc1ccc(C)cc1[C@H](C)NC(=O)C(C#N)=CNc1ccc(I)cc1C 2325072413 WYIBAFQYEWEUKZ-INIZCTEOSA-N 489.357 5.004 50 10 JKGE BrC[C@]1(Cc2ccc(I)c(Br)c2)C[C@H]2CC[C@H]1C2 2325230477 SZOWVAGOVCDBLQ-ITDIGPHOSA-N 484.013 5.798 50 10 JKGE Cc1ccc(CBr)c(OCc2cnsc2Br)c1Br 2327791750 DZVCRDDSPORSND-UHFFFAOYSA-N 455.997 5.450 50 10 JKGE COc1cc(C=C(C#N)c2nc3cc(C)ccc3n2C)ccc1OCc1ccc(C(C)(C)C)cc1 2331018534 KLETYROTKDHIMR-UHFFFAOYSA-N 465.597 6.831 50 10 JKGE CC[C@H](C)[C@@H](C(O)=C(C#N)c1nc(-c2cc(C)ccc2C)cs1)N1C(=O)c2ccccc2C1=O 2331320022 CDVPCISNMMLCEQ-HJPURHCSSA-N 471.582 5.931 50 10 JKGE CC[C@H](C)N1C(=O)c2ccc(C(O)=C(C#N)c3nc(-c4ccc(C(C)C)cc4)cs3)cc2C1=O 2331340698 RKWDHJGFEFZIOW-INIZCTEOSA-N 471.582 6.278 50 10 JKGE CCc1ccc(-c2csc(C(C#N)=Cc3c(OCc4ccccc4)ccc4ccccc34)n2)cc1 2331418282 NCEVBBQABRSWJX-UHFFFAOYSA-N 472.613 8.169 50 10 JKGE COc1cc(C=C(C#N)c2nc(-c3c(C)cc(C)cc3C)cs2)ccc1OCc1ccc(C)cc1 2331477524 YMLXFWWPIGFTKO-UHFFFAOYSA-N 480.633 7.696 50 10 JKGE Fc1c(Br)cc(Cl)c([C@H](Br)[C@@H]2C(F)(F)C23CC3)c1Br 2337083683 COUSNKMHIYZCRM-WPRPVWTQSA-N 483.347 6.485 50 10 JKGE Fc1c(Br)cc(Cl)c([C@@H](Br)C2CC3(CCC3)C2)c1Br 2337095416 AEUKQTONGHKWJK-NSHDSACASA-N 475.421 7.020 50 10 JKGE COc1ccc(Cl)cc1[C@@H](Br)c1c(Br)c(Br)nn1C 2338723697 ZTCWUZJODUNWIS-SECBINFHSA-N 473.390 5.091 50 10 JKGE COc1c(F)c(F)cc([C@@H](Cl)c2cc(Br)sc2Br)c1F 2361166533 SWPGWSBUKFTBQO-MRVPVSSYSA-N 450.501 6.027 50 10 JKGE CCCCC1CCC([C@@H](Br)c2cc(Br)ccc2OCc2ccccc2)CC1 2361178404 NVCBPNIGBVGSKE-SCPLRKQGSA-N 494.311 8.461 50 10 JKGE Fc1c(Br)cc(Cl)c([C@H](Br)[C@]23CCCC[C@H]2CC3)c1Br 2362225059 UHNOIEXRVKTCPA-QXRSLXQMSA-N 489.448 7.411 50 10 JKGE CCc1ccc(CC)c([C@H](Br)c2c(Br)c(Br)nn2C)c1 2364063470 JFIFUIIJOOFVLL-LBPRGKRZSA-N 465.027 5.554 50 10 JKGE CCN(C[C@@](C)(CI)O[C@@H]1CCOc2ccc(F)cc21)C(=O)OC(C)(C)C 2364533317 NXYQBLWIAOYXNL-YLJYHZDGSA-N 493.357 5.117 50 10 JKGE COc1c(Br)cc(C)cc1C[C@H](Br)c1cccc(Br)c1 2365238172 NKFCCZPVDKCADK-AWEZNQCLSA-N 463.007 6.207 50 10 JKGE CCSc1sc(CC)cc1[C@@H]1C(C#N)=C(N)N(c2ccccc2C)C2=C1C(=O)CC(C)(C)C2 9982471 FOZPDJOHIFLWNB-HSZRJFAPSA-N 477.699 6.672 50 10 JKGE N#C/C(=C\c1ccccc1)C(=O)Oc1cc(-c2ccc(Br)cc2)c2oc(=O)sc2c1 13134408 RPDSFIROZWUBKE-MHWRWJLKSA-N 478.323 5.797 50 10 JKGE C[C@@H](Oc1ccc(Cl)cc1Br)C(=O)NNC(=O)c1sc2ccccc2c1Cl 14644282 APAOQYPDPGCGHF-SECBINFHSA-N 488.190 5.199 50 10 JKGE CC[C@H](C)c1ccc(OCC(=O)NNC(=O)COc2ccc(C(C)(C)C)cc2C(C)(C)C)cc1 14661766 WNRGOLINQMMLQQ-IBGZPJMESA-N 468.638 5.400 50 10 JKGE Cc1cc(NS(=O)(=O)c2ccc(N/C=C(\C#N)c3nc(-c4ccc(F)cc4)cs3)cc2)no1 17025680 RCIMJXVLZLMJRL-FOWTUZBSSA-N 481.534 5.023 50 10 JKGE C=CCOc1ccc(Br)cc1/C=N/NC(=O)[C@@H](C)Oc1ccc(OCCCCC)cc1 20582707 BFCIIIBMPXBMDD-WNIQNGNASA-N 489.410 5.501 50 10 JKGE COc1ccc(/C(C#N)=C\c2ccc(OC(=O)/C=C/c3ccc(C(C)C)cc3)c(OC)c2)cc1 31902306 NDWZCSABCDKSFE-ACHYQRPASA-N 453.538 6.510 50 10 JKGE COc1c(Cl)cc(Cl)cc1/C=C(/C#N)c1nc(-c2ccc(Cl)cc2Cl)cs1 33398873 WFDLFGYKYXOGCT-WCIBSUBMSA-N 456.181 7.496 50 10 JKGE N#CC1=C(N)Oc2cc(OC(=O)Cc3ccc(Cl)cc3)ccc2[C@H]1c1ccc(Cl)c(Cl)c1 38656092 HNSVXZOCMWVRQU-HSZRJFAPSA-N 485.754 6.013 50 10 JKGE CCCCOc1ccccc1[C@H]1C(C#N)=C(N)Oc2cc(OC(=O)c3ccc(OC)cc3)ccc21 38682654 YYSYPWRXZHWKKI-AREMUKBSSA-N 470.525 5.311 50 10 JKGE Cc1cccc(OCC(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@@H]3c2cccc(OCCC(C)C)c2)c1 38684667 LWAQJOMTXDLWGR-GDLZYMKVSA-N 498.579 5.623 50 10 JKGE Cc1cccc(Oc2nc3c(C)cccn3c(=O)c2/C=C(/C#N)C(=O)Nc2ccc(C)c(C)c2)c1 39858635 LTNPAVXGEKQLBT-QNGOZBTKSA-N 464.525 5.266 50 10 JKGE Cc1c(C(=O)Nc2cccc3ncccc23)oc2c1/C(=N/NC(=O)c1ccc(Cl)cc1)CCC2 40811715 KZKRIXPGWCKJLX-MWAVMZGNSA-N 472.932 5.512 50 10 JKGE COc1ccccc1C(=O)N/N=C1\CCCc2oc(C(=O)Nc3ccccc3Br)c(C)c21 40813200 KRGBEVFJUZKIBP-OVVQPSECSA-N 496.361 5.082 50 10 JKGE CCN(C(=O)c1oc2c(c1C)/C(=N/NC(=O)c1ccc(Cl)cc1Cl)CCC2)c1cccc(C)c1 40813738 AKRFSFHVIFZRNI-XHLNEMQHSA-N 498.410 6.340 50 10 JKGE CCOc1cc(/C=N\NC(=O)CC[C@@H](O)c2ccccc2)cc(Cl)c1OCc1ccccc1F 58891382 BJIPMFLIQAQBIQ-SLLOZXFSSA-N 484.955 5.421 50 10 JKGE Cc1ccc(NC(=O)/C(C#N)=C\c2cc(Cl)c(OCc3cccc(F)c3)c(Cl)c2)cc1 59335269 ZYPDYQFMXCMKAJ-NVMNQCDNSA-N 455.316 6.566 50 10 JKGE C/C(=N/NC(=O)c1ccc(OCC(=O)N2[C@@H](C)CCC[C@@H]2C)cc1)c1cccc(C(F)(F)F)c1 59399862 SYOADWSMKUOOLG-XNZKBTICSA-N 475.511 5.028 50 10 JKGE CC1CCC(NC(=O)[C@@H](c2ccc(Cl)cc2)N(CCc2ccccc2)C(=O)CCl)CC1 97914739 DJILLCMTLLPVLS-RSMZPQPPSA-N 461.433 5.386 50 10 JKGE COc1ccc(/C=C(/C#N)C(=O)NC(C)(C)CC(C)(C)C)cc1COc1ccc([N+](=O)[O-])cc1 98063496 VJCXASJGLHNINQ-UYRXBGFRSA-N 465.550 5.420 50 10 JKGE CCCCCCCOc1ccc(/C=C2/C(=O)N([C@@H](C)c3ccccc3)C(=O)C(C#N)=C2C)cc1 101337904 DDXTUWOUFZCSET-HLELUFFISA-N 456.586 6.389 50 10 JKGE COc1ccc(C2=C/C(=C3\N=C(c4cccc([N+](=O)[O-])c4)OC3=O)c3ccccc3O2)cc1CCl 102714102 ZJIAHLZWLJJRNG-HIXSDJFHSA-N 488.883 5.490 50 10 JKGE CCOc1cc(C(=O)NNc2ccccc2C(F)(F)F)ccc1OCCOc1ccccc1 104714402 GHOUUCRLSPWURI-UHFFFAOYSA-N 460.452 5.319 50 10 JKGE CCOc1cc(Br)c([C@H](Br)c2sccc2Br)cc1OCC 111536474 CPHBNJAUMFUVIR-AWEZNQCLSA-N 499.062 6.555 50 10 JKGE Cc1nc(CC(CBr)(CBr)c2cccc(Br)c2)cs1 118671934 IJVGJQPRPFSABP-UHFFFAOYSA-N 468.052 5.484 50 10 JKGE Clc1ccc([C@@H](Br)c2ccccc2I)c2ccccc12 127348273 TXYFNENCUPOSRR-QGZVFWFLSA-N 457.536 6.582 50 10 JKGE Fc1cc(F)cc(CC(CBr)(CBr)c2ccccc2Br)c1 128188059 DWFSPKAXENVOII-UHFFFAOYSA-N 482.988 5.998 50 10 JKGE O=C1CCc2cc([C@@H](Br)c3cc(Br)c(Br)s3)c(F)cc2N1 128555927 SDEXLYUPPVIGQC-CYBMUJFWSA-N 498.009 5.781 50 10 JKGE Brc1ccc(Br)c([C@@H](Br)c2cc3sccc3s2)c1 156467450 QTVGMDNTBJCVRZ-CYBMUJFWSA-N 467.045 6.972 50 10 JKGE Brc1ccc(Br)c([C@@H](Br)c2ccc3c(c2)CCCC3)c1 161077057 AYNUTZJCPILOSZ-KRWDZBQOSA-N 459.019 6.575 50 10 JKGE CCCCCCCOc1ccc(/C=C2\C(=O)N(Cc3ccc(OC)cc3)C(=O)C(C#N)=C2C)cc1 214397394 GFGLLHAAIVZUHH-ITYLOYPMSA-N 472.585 5.837 50 10 JKGE Cc1ccc2nc(-c3ccc(N/C=C(/C#N)C(=O)Nc4ccc(Cl)cc4Cl)cc3)sc2c1 217177788 QODAYABFUDSGEK-SSZFMOIBSA-N 479.392 7.037 50 10 JKGE CCc1cccc(CC)c1NC(=O)/C(C#N)=C\N1CCN(C(c2ccccc2)c2ccccc2)CC1 217205751 MMJDUMCZVSIVHA-NFFVHWSESA-N 478.640 5.565 50 10 JKGE Cc1cc(I)ccc1NC(=O)/C(C#N)=C\N[C@@H](C)c1ccc2c(c1)CCCC2 217253843 IJFDRAMHJXNHBG-IEOAWGNMSA-N 485.369 5.175 50 10 JKGE COc1ccc([C@H](Br)c2csc(I)c2)c(OC)c1Cl 224664832 AXILNKFNNFWVSC-LLVKDONJSA-N 473.557 5.508 50 10 JKGE Cc1ccc(Br)cc1[C@@H](Br)c1cc(Br)cc2c1OCC2 228442783 PGHYFZCBJKFXQT-OAHLLOKOSA-N 460.991 5.939 50 10 JKGE COc1ccc(C[C@@H](Cl)c2cc(Br)ccc2I)cc1 234932591 HRJQTXITMQYPFM-CQSZACIVSA-N 451.529 5.585 50 10 JKGE COc1ccc(C[C@@H](Br)c2cc(I)ccc2Br)cc1 234962409 KCDRXPXCZYNJQO-OAHLLOKOSA-N 495.980 5.741 50 10 JKGE Cc1cc(Br)c([C@H](Cl)c2ccc(Cl)cc2Br)cc1Br 235824109 WAYJVYFLXCTVFU-CQSZACIVSA-N 487.844 7.264 50 10 JKGE CC(=NNC(=O)[C@@H]1C[C@@H]1c1ccccc1)c1ccc(NC(=O)c2ccc(Cl)cc2Cl)cc1 254292922 VCWXLGAMONAJQH-FGZHOGPDSA-N 466.368 5.890 50 10 JKGE CCCCN(C[C@@H](Br)[C@@H](Br)c1ccccc1)S(=O)(=O)c1ccccc1 256122917 CGFXHSHNJQZDRM-MOPGFXCFSA-N 489.273 5.377 50 10 JKGE Cc1cccc([C@@H](Cl)c2cc(Cl)c(Br)s2)c1I 300472340 OVJQHVHSMQOGDP-SNVBAGLBSA-N 461.977 6.405 50 10 JKGE C[C@@H]1[C@@H](n2c(CCCl)nc3cc(I)ccc32)CCN1Cc1ccccc1 312018089 VMFNFAYBFJQWJF-BEFAXECRSA-N 479.793 5.258 50 10 JKGE CO[C@H]1CCCC[C@@H]1Oc1c(Br)cc(CBr)cc1Br 312056540 FWLALTUVWRWMMW-STQMWFEESA-N 457.000 5.443 50 10 JKGE Fc1c(Cl)cccc1[C@H](Br)c1scc(C(F)(F)F)c1Br 312443682 XJCOTONJXILTMU-QMMMGPOBSA-N 452.492 6.806 50 10 JKGE Clc1cc([C@H]2CN(Cc3ccccc3)C[C@H]2CI)ccc1Br 382681684 AVDQDXOGUCPVDV-HZPDHXFCSA-N 490.610 5.753 50 10 JKGE O=C(OCc1ccccc1)N1C[C@@H](CI)[C@H](c2ccc(F)c(Cl)c2)C1 382691109 IGJSNTBEDFXDBK-CVEARBPZSA-N 473.713 5.266 50 10 JKGE O=C(OCc1ccccc1)N1C[C@H](CI)[C@H](c2cc(Cl)cc(Cl)c2)C1 382693228 QRRBTGUKNFCDBP-YJBOKZPZSA-N 490.168 5.781 50 10 JKGE COc1cc(CBr)cc(Br)c1OCc1ccsc1Br 388872945 CQKXRFRAHXXRRA-UHFFFAOYSA-N 471.008 5.756 50 10 JKGE Fc1cc([C@@H](Br)c2cc(Br)ccc2Br)c(F)c(F)c1F 395614329 MSJHPJDMGRZTGK-JTQLQIEISA-N 476.887 6.252 50 10 JKGE Fc1cc(Br)c([C@H](Cl)c2ccc(I)c(Cl)c2)c(F)c1F 398495454 ZSKHKICKWPIFLU-LLVKDONJSA-N 495.891 6.453 50 10 JKGE CN(C(=O)OC(C)(C)C)c1ccccc1[C@H]1COCCN(CCO[Si](C)(C)C(C)(C)C)C1 616663696 NUMVJYYTDJKWEY-HXUWFJFHSA-N 464.723 5.496 50 10 JKGE CO[C@H]1CCC[C@H](C(CBr)(CBr)c2cccc(Br)c2)C1 686321692 PHQISGMMSJPAIP-ZFWWWQNUSA-N 469.055 5.682 50 10 JKGE Cc1cc(Br)c([C@H](Br)c2cscc2C(F)(F)F)cc1Br 717186696 PRCOESFTKRLCAQ-LBPRGKRZSA-N 492.980 7.085 50 10 JKGE O=C(NN=Cc1cc(Br)c(OCc2ccccc2)c(Br)c1)c1cccs1 1083963555 KTOUGPXHIAIQKK-UHFFFAOYSA-N 494.208 5.616 50 10 JKGE Cc1ccc(NC(=O)/C(C#N)=C\c2cn(Cc3ccc(Cl)cc3Cl)c3ccccc23)c(C)c1 1084289429 QSUXDTRVDIGIOG-NDENLUEZSA-N 474.391 7.159 50 10 JKGE O=C(NN=C(/C=C\c1ccccc1)/C=C/c1ccccc1)C(O)(c1ccccc1)c1ccccc1 1084451575 OZKHMFBSDDNFGV-VLHGSGQCSA-N 458.561 5.822 50 10 JKGE CC1(C)[C@H](C=C(Cl)Cl)[C@@H]1C(=O)NN=C(c1ccc(Cl)cc1)c1ccc(Cl)cc1 1088668447 OVUQNGKEDDOPAT-SJLPKXTDSA-N 456.200 6.453 50 10 JKGE COc1cccc(C(=O)NN(C(=O)c2cc(C)cc(Cl)c2)C(C)(C)C)c1Br 1088749983 AYXYLUVCTQJCKX-UHFFFAOYSA-N 453.764 5.005 50 10 JKGE Cc1ccc(/C=C/C(=O)Nc2cccc3c(OC(=O)Nc4ccc(SC#N)cc4)cccc23)cc1 1858773466 DFJDMJQKRCUKRK-SFQUDFHCSA-N 479.561 6.984 50 10 JKGE CCCc1nn(-c2ccc(Cl)c(Cl)c2)c2c1[C@@H](c1cc(Cl)ccc1O)C(C#N)=C(N)O2 1865688810 BNVJIJXQQNCCHK-IBGZPJMESA-N 475.763 5.709 50 10 JKGE N#CC1=C(N)Oc2c(c(C(F)(F)F)nn2Cc2cccc(Cl)c2)[C@@H]1c1cc(Cl)ccc1O 1865689819 XDQXERHEYQRTDL-MRXNPFEDSA-N 481.261 5.181 50 10 JKGE CCOc1ccc([C@H]2C(C#N)=C(N)Oc3c2c(-c2ccc(OC)cc2)nn3-c2cccc(Cl)c2)cc1 1865693048 HJPLDXXNFQZTBZ-DEOSSOPVSA-N 498.970 5.818 50 10 JKGE Cc1nn(Cc2ccc(Cl)c(Cl)c2)c2c1[C@H](c1c[nH]c3ccccc13)C(C#N)=C(N)O2 1865698842 DOFAWOIYQPXREX-NRFANRHFSA-N 450.329 5.246 50 10 JKGE COc1ccc([C@H]2C(C#N)=C(N)Oc3c2c(-c2ccccc2)nn3-c2ccccc2Cl)c(OC)c1 1865707965 KMZCZSXMNYMVJQ-QHCPKHFHSA-N 484.943 5.428 50 10 JKGE CSCC[C@H](NC(=O)C[C@H](C)c1ccc(Cl)cc1)C(=O)Nc1ccc(SC#N)cc1 1866717334 WTJIAQOEYIPQQM-YWZLYKJASA-N 462.040 5.283 50 10 JKGE CC[C@@H](C)[C@H](/C(O)=C(\C#N)c1nc(-c2ccc(OC)cc2)cs1)N1C(=O)c2ccccc2C1=O 1872745977 LYXHOHJJTPQEKM-RTSYSRICSA-N 473.554 5.322 50 10 JKGE Cc1ccc(N2C(=O)c3ccc(/C(O)=C(\C#N)c4nc(-c5ccccc5)cs4)cc3C2=O)c(C)c1 1872748263 PVBJUPLHXIEOAD-LVWGJNHUSA-N 477.545 6.177 50 10 JKGE CC(C)c1ccc(-c2csc(/C(C#N)=C(\O)c3ccc(N4CCOCC4)c([N+](=O)[O-])c3)n2)cc1 1872752370 ZIIZYOAQPIJQPC-GFMRDNFCSA-N 476.558 5.628 50 10 JKGE N#C/C(=C(/O)CCCCCNC(=O)c1ccccc1)c1nc(-c2ccc(Cl)s2)cs1 1872758052 JCPLRIIWUYHJFH-VLGSPTGOSA-N 458.008 6.308 50 10 JKGE C[C@H](Oc1ccc(Cl)cc1)/C(O)=C(\C#N)c1nc(-c2cc(Cl)ccc2Cl)cs1 1872758713 MTUOEQBHKSGGHF-WTAXECHQSA-N 451.762 7.030 50 10 JKGE COc1ccc(Cl)cc1-c1csc(/C(C#N)=C(\O)c2ccc(N3CCCC3)c([N+](=O)[O-])c2)n1 1872758735 OBAMCPMAELCPCD-XLNRJJMWSA-N 482.949 5.930 50 10 JKGE COc1ccc(-c2csc(/C(C#N)=C(\O)c3cccc(OCC(C)C)c3)n2)c(OC)c1OC 1872759657 VLRWOAVUFXQFTN-QOCHGBHMSA-N 466.559 5.821 50 10 JKGE N#C/C(=C(/O)COc1ccc(Cl)cc1Cl)c1nc(-c2ccc3ccccc3c2)cs1 1873940697 CXZRYFXSZLGRBF-UZYVYHOESA-N 453.350 7.142 50 10 JKGE Brc1cccc(Br)c1CO[C@H]1CCC[C@H]1I 1901777977 NAHHVPJZUJIMDP-NEPJUHHUSA-N 459.947 5.084 50 10 JKGE O=C(c1cc(F)ccc1Br)N(Cc1ccccc1)[C@@H](CBr)C1CC1 1915310664 BNJKLCXDSBTUOY-SFHVURJKSA-N 455.165 5.404 50 10 JKGE CCCCC1CCC([C@@H](Br)c2sc(Br)c(C)c2Br)CC1 1922881407 CUUMDOZAIXAPBX-ORHYLEIMSA-N 487.139 8.014 50 10 JKGE Brc1cc(Br)c([C@H](Br)c2sccc2Br)s1 1922922017 XIJCPPMCPSWAED-SSDOTTSWSA-N 495.881 6.581 50 10 JKGE Clc1c(Br)sc(Br)c1[C@H](Br)[C@@H]1CC[C@@H]2C[C@@H]2C1 1923050483 VXZASGJAMYQGFX-JXOAFFINSA-N 463.460 6.799 50 10 JKGE Clc1c(Br)sc(Br)c1[C@@H](Br)Cc1ccccc1 1923072682 QVLZNSUSXQRYHJ-QMMMGPOBSA-N 459.428 6.605 50 10 JKGE C[C@H](c1ccncc1Br)[C@H](Cl)c1csc(Br)c1Br 1924070395 JOEFWKSMVMAQOS-KBUNVGBDSA-N 474.443 6.514 50 10 JKGE Cl[C@H](c1c(Br)sc(Br)c1Br)[C@@H]1CCC[C@H]2C[C@H]21 1924608202 FIOYWBWVBUAXBI-DHCFDGJBSA-N 463.460 6.752 50 10 JKGE CC(C)(C)OC(=O)Nc1c(Br)cc(Br)cc1[C@H](Br)CF 1952040689 PREISJQCQDSTSH-SNVBAGLBSA-N 475.978 5.964 50 10 JKGE Brc1cc([C@@H](Br)c2ccsc2Br)cc2c1OCC2 2030024095 ZTOMQIYKXBKVKL-LLVKDONJSA-N 452.993 5.692 50 10 JKGE CN(CCN(Cc1ccccc1)S(=O)(=O)c1cc(CCl)cc(F)c1F)Cc1ccccc1 2034750453 JCPIDAJZHTWEFZ-UHFFFAOYSA-N 478.992 5.027 50 10 JKGE Fc1cc(Cl)c(Br)cc1[C@@H](Br)c1cc(Cl)sc1Cl 2036570598 DAHAKIFASXQRKS-SNVBAGLBSA-N 453.385 7.094 50 10 JKGE C[C@@H]1CCC[C@@H]([C@H](Cl)c2c(Br)sc(Br)c2Br)CC1 2039360509 TUAZRHZWZLFJOX-XLDPMVHQSA-N 479.503 7.532 50 10 JKGE Clc1cccc(Cl)c1C[C@@H](Br)c1ccc(I)cc1 2042853676 LTXXVERDUXLHER-GFCCVEGCSA-N 455.948 6.277 50 10 JKGE Cc1c(Cn2nc(CBr)c(I)c2C(F)(F)F)ccc(F)c1F 2079241045 MNUAGWQTOMGORK-UHFFFAOYSA-N 495.027 5.036 50 10 JKGE Cc1ccc([C@@H](Br)c2ccc(Br)cc2Br)c(Cl)c1 2083340593 VGHMMELZFDAHBU-AWEZNQCLSA-N 453.399 6.658 50 10 JKGE Cc1cc(F)c(F)cc1[C@@H](Br)c1cc(Br)c(Br)s1 2083953351 PMRZYZGIELYQHB-LLVKDONJSA-N 460.963 6.344 50 10 JKGE C[C@H]1CCC[C@@H]1CC(CBr)(CBr)c1ccccc1Br 2093454812 RJDFKPDWGMDHLD-QWHCGFSZSA-N 453.056 6.303 50 10 JKGE Brc1cccc(Br)c1CC[C@H](Br)CC1CCCCC1 2099485006 GZHKWNKRWHLPSK-ZDUSSCGKSA-N 453.056 6.878 50 10 JKGE BrCc1ccc(N2CC[C@@]3(CCCN(Cc4ccccc4)C3)C2)cc1Br 2107016515 CVGYKKXCSQFKBN-JOCHJYFZSA-N 478.272 5.837 50 10 JKGE CC1(C)CCC[C@H](Oc2c(Br)cc(Br)cc2CBr)C1 2107524512 PLNHAYMIVADXIJ-LBPRGKRZSA-N 455.028 6.454 50 10 JKGE O=C(c1csc(Br)c1Br)N1[C@H](CBr)C[C@@H]2CCC[C@H]21 2108391984 ODSYQMBQVAQNOP-OYNCUSHFSA-N 472.040 5.051 50 10 JKGE Brc1ccc(Br)c([C@@H](Br)[C@@H]2CC3(CCCC3)CO2)c1 2109965793 URECHBSYFAPGIG-UONOGXRCSA-N 453.012 5.997 50 10 JKGE COCC1(C[C@@H](Br)c2c(C)c(Br)cc(C)c2Br)CC1 2136366612 JVBOLPZMJIIKFO-GFCCVEGCSA-N 455.028 6.081 50 10 JKGE COc1c(C)cc(Br)cc1[C@H](Br)c1c(C)nsc1Br 2141638864 GIOOKYMLEZKOMQ-NSHDSACASA-N 470.024 5.778 50 10 JKGE Clc1cc([C@H](Cl)Cc2ccccc2I)c(Cl)c(Cl)c1Cl 2143868387 NWMNJFBXUBFNIC-SECBINFHSA-N 480.387 7.427 50 10 JKGE C[C@@H](Cl)c1nc2cc(Br)c(Cl)cc2n1-c1csnc1Br 2160061061 OIKYLBFAXKKFJN-RXMQYKEDSA-N 455.990 5.960 50 10 JKGE CCCC(CBr)(CCC)CN(CCN(C)C(=O)OC(C)(C)C)CC(F)(F)F 2163059109 QKUNCMNGBCVQET-UHFFFAOYSA-N 461.407 5.699 50 10 JKGE COc1c(C)cc(Br)cc1[C@H](Br)c1cccc(Br)c1C 2206598686 OZAFTGMAEOSFBU-OAHLLOKOSA-N 463.007 6.321 50 10 JKGE Clc1cc(Br)ccc1C[C@@H](Br)c1ccc(Br)s1 2215854487 RNKVPJLAPKRLIR-SECBINFHSA-N 459.428 6.605 50 10 JKGE Clc1cc([C@H](Br)c2c(Br)cc(Cl)c(Cl)c2Cl)cs1 2217609408 ABZIIRBTWWKFMB-VIFPVBQESA-N 469.840 7.609 50 10 JKGE CC[C@@H]1OCC[C@@H]1[C@H](Br)c1c(Br)cc(C)c(Br)c1C 2227349362 RJSLZQUSJJJQKJ-WBIUFABUSA-N 455.028 6.080 50 10 JKGE Cc1nsc(Br)c1[C@@H](Br)c1c(F)cc(F)c(Br)c1F 2227810375 VHSRRDBNXBZKAZ-SECBINFHSA-N 479.941 5.878 50 10 JKGE Fc1ccc([C@H](Br)Cc2ccc(Br)cc2Cl)c(Br)c1 2229154928 YKEYZGJSGHRRDA-GFCCVEGCSA-N 471.389 6.683 50 10 JKGE Cc1cc(Br)c([C@H](Br)c2c(Br)nn(C)c2C)c(C)c1Cl 2232529939 ZQBJHIDOCLRCBH-LBPRGKRZSA-N 485.445 6.008 50 10 JKGE C[C@H]1CN(Cc2ccccc2)CC[C@H]1n1c(CCl)nc2c(F)cc(Br)cc21 2232931580 WKWQFGVILUIPFA-KBXCAEBGSA-N 450.783 5.760 50 10 JKGE CCOCc1cc(Br)c([C@@H](Cl)c2ccc(Cl)cc2Br)s1 2233008429 HSUNQCGXUICQHS-ZDUSSCGKSA-N 459.030 6.791 50 10 JKGE CCOCc1cc(Br)c([C@H](Br)c2cn(CC)c(Br)n2)s1 2233031019 JYLNWSOYSVOPGT-LLVKDONJSA-N 487.055 5.510 50 10 JKGE Fc1cc([C@H](Br)c2cc(Br)c(Br)cc2F)c(F)cc1Cl 2233974913 HQBYYTSSGHKEOS-CYBMUJFWSA-N 493.342 6.767 50 10 JKGE Fc1cc(Br)c(Br)cc1[C@H](Br)[C@@H]1CCn2ccnc2C1 2233981516 JMHSTWVEKUFKIK-XLKFXECMSA-N 466.974 5.246 50 10 JKGE COc1cc(Br)c([C@H](Br)c2cc(Br)ccc2C)cc1C 2236006259 CEIJIJRSOHNCAH-MRXNPFEDSA-N 463.007 6.321 50 10 JKGE COc1cc(Cl)c(Cl)cc1[C@@H](Br)c1cscc1OCc1ccccc1 2253423639 QYMDPHIEGIYDGO-LJQANCHMSA-N 458.204 7.127 50 10 JKGE COc1ccc([C@H](Br)c2scc(C)c2Br)c(Br)c1Cl 2268262606 WOUKBAKQJGZYBI-NSHDSACASA-N 489.454 6.728 50 10 JKGE CC12CC([C@H](Br)Cc3cc(Br)cc(Br)c3)(CCO1)C2 2277952945 LRHHXEDZMVYKNV-WLYUNCDWSA-N 453.012 5.477 50 10 JKGE COc1cccc([C@@H](Br)c2ccc(Br)c(C)c2Br)c1Cl 2283567266 ADWCYYMXEZBGAD-AWEZNQCLSA-N 483.425 6.666 50 10 JKGE COc1c(C)cc(Br)cc1[C@@H](Cl)c1ccc(Cl)c(I)c1 2283568355 MTRPZBBDQWEHDX-AWEZNQCLSA-N 485.974 6.352 50 10 JKGE Clc1ccc([C@@H](Cl)c2cc(Br)c3c(c2)CCO3)cc1I 2283574899 RQZJLHLRXYXRPR-CQSZACIVSA-N 483.958 5.970 50 10 JKGE COc1ccc([C@H](Cl)c2ccc(I)c(Br)c2)c(C)c1C 2284600767 WPMYSCLKKFADCC-MRXNPFEDSA-N 465.556 6.007 50 10 JKGE CCOc1cc(C=C(C#N)c2ccc([N+](=O)[O-])cc2)cc(Cl)c1OCc1ccccc1C#N 2294244371 AEGLVCOPKXJULT-UHFFFAOYSA-N 459.889 6.162 50 10 JKGE N#CC(=Cc1ccc(-c2ccc([N+](=O)[O-])cc2)o1)C(=O)Nc1ncc(Cc2cccc(Cl)c2)s1 2296833152 HERDIOJKPPPIKD-UHFFFAOYSA-N 490.928 6.101 50 10 JKGE COc1cccc(NC(SCc2cc(F)ccc2F)=C(C#N)C(=O)NCc2ccccc2)c1 2297414580 OADRBEKSYWKDHB-UHFFFAOYSA-N 465.525 5.370 50 10 JKGE CC(C)[C@H]1CCc2c(OCc3ccccc3)ccc(Br)c2[C@@H](Br)C1 2299517637 MUVFNSKSKGWRGW-LPHOPBHVSA-N 452.230 7.073 50 10 JKGE BrCc1ccc(OCc2sccc2I)c(Br)c1 2301067717 CVRVBQKQAWJKJJ-UHFFFAOYSA-N 487.982 5.589 50 10 JKGE Cc1cccc(NC(=O)C(C#N)=Cc2cn(Cc3ccc(Br)cc3)c3ccccc23)c1 2313667406 MJAVAYUPVXNQQH-UHFFFAOYSA-N 470.370 6.306 50 10 JKGE CCOc1cc(C=C(C#N)C(=O)Nc2cc([N+](=O)[O-])ccc2Cl)ccc1OC(=O)c1ccccc1 2313724519 DTKZACKFDUDREC-UHFFFAOYSA-N 491.887 5.412 50 10 JKGE N#CC(=Cc1ccc(N2N=C(c3ccccc3)C[C@@H]2c2ccccc2)cc1)c1nc(O)c2ccccc2n1 2314482633 QHXHXSUSLBEMLG-SSEXGKCCSA-N 493.570 6.755 50 10 JKGE Cc1ccc(Oc2nc3ccccn3c(=O)c2C=C(C#N)C(=O)Nc2cccc(C(F)(F)F)c2)cc1 2314534029 WJDNEBWIKKNMKR-UHFFFAOYSA-N 490.441 5.360 50 10 JKGE N#CC(=Cc1ccc(-c2cc(C(F)(F)F)ccc2Cl)o1)C(=O)Nc1ccccc1C(F)(F)F 2314571919 OPZJSMRPYCIYEH-UHFFFAOYSA-N 484.783 7.183 50 10 JKGE Cc1ccc(C[C@H]2SC(=C(C#N)C(=O)Nc3ccccc3C)N(c3ccc(C(C)C)cc3)C2=O)cc1 2314592392 SHSOVSNJHVGYCN-HHHXNRCGSA-N 495.648 6.492 50 10 JKGE CCOc1cc(C=C(C#N)C(=O)NCc2ccco2)ccc1OC(=O)COc1ccc(C(C)C)cc1 2314755068 PVZBMXVZUVKRGL-UHFFFAOYSA-N 488.540 5.009 50 10 JKGE COC(=O)c1c(-c2ccc3c(c2)CCCC3)csc1NC(=O)C(C#N)=Cc1ccc(OC)cc1 2314793229 OTGMATCKPSONJB-UHFFFAOYSA-N 472.566 5.635 50 10 JKGE Fc1c(Br)cc(Cl)c([C@@H](Cl)c2cscc2Cl)c1Br 2315447227 KWIIESBPDDZUFZ-JTQLQIEISA-N 453.385 7.047 50 10 JKGE CCc1ccc([C@@H](C)NC(=O)C(C#N)=CNc2ccc(-c3nc4ccc(C)cc4s3)cc2)cc1 2318462557 LFXQYOYJSMNYOK-LJQANCHMSA-N 466.610 6.531 50 10 JKGE CC(C)(C)OC(=O)N1CCC[C@](CI)(OCC2CCCCCCC2)C1 2319886644 DEUHIIOJMJKZST-HXUWFJFHSA-N 465.416 5.568 50 10 JKGE CC(=Cc1cccc(Cl)c1)C(=O)N[C@H](Cc1ccc(O)cc1)C(=O)Nc1ccc(SC#N)cc1 2330507563 ZQXGFFGXDPDYAK-XMMPIXPASA-N 492.000 5.388 50 10 JKGE COc1cc(-c2csc(C(C#N)=C(O)[C@H](C)Oc3ccc(Cl)cc3)n2)c(OC)cc1Cl 2331376976 RJKJBKOLWGEDLT-LBPRGKRZSA-N 477.369 6.394 50 10 JKGE COc1cc(OC)c(-c2csc(C(C#N)=C(O)Cc3ccc(NC(C)=O)cc3)n2)cc1Cl 2331377567 LSWZBDNTAJWFBT-UHFFFAOYSA-N 469.950 5.474 50 10 JKGE N#CC(=Cc1ccc(OC(=O)c2ccccc2)cc1)c1nc(-c2ccc(Cl)cc2Cl)cs1 2331424689 FRJOJLNYDPDCDZ-UHFFFAOYSA-N 477.372 7.400 50 10 JKGE Cc1cc(Br)c(C)c([C@@H](Br)[C@@H]2C[C@H]3CC[C@@H]2C3)c1Br 2334621123 OGHBHWDDLUOYRG-LGSVPQMISA-N 451.040 6.701 50 10 JKGE FC1(F)C[C@]12CC[C@H]([C@@H](Br)c1cc(Br)ccc1OCc1ccccc1)C2 2336053927 NJUDGZUWQTURSA-CWFSZBLJSA-N 486.194 7.290 50 10 JKGE Cc1nc(OCc2cc(I)ccc2Br)ccc1CCl 2341553892 ZREDARTUROGLCS-UHFFFAOYSA-N 452.517 5.075 50 10 JKGE Fc1cc(CBr)c(OCc2cccc(I)c2)cc1Cl 2341786061 TXQOSWOVZWPKAI-UHFFFAOYSA-N 455.492 5.558 50 10 JKGE Cc1cc(C(F)(F)F)sc1C(=O)N[C@H](CCBr)COCc1ccccc1 2343412371 PDLLHYHNDDUAFE-CQSZACIVSA-N 450.320 5.176 50 10 JKGE CC(C)(C)OCCCOc1c(Br)cc(Br)cc1CBr 2345236198 MCPOJEUAHJOVOL-UHFFFAOYSA-N 459.016 5.691 50 10 JKGE Fc1cc(Cl)c(Br)c(Cl)c1[C@H](Br)[C@]12COC[C@H]1C2(F)F 2360422694 UVJRDOHHLVTNAV-DADVEIPYSA-N 454.895 5.613 50 10 JKGE C[C@H]1C[C@@H]([C@H](Br)c2c(Cl)cc(Br)c(F)c2Br)C[C@@H](C)O1 2362250181 ZORLFAUTPAAKQV-FCGKXJCRSA-N 493.436 6.644 50 10 JKGE Clc1ccc([C@H](Cl)c2cc3c(cc2Br)OCC3)c(I)c1 2365598190 OPQCENYNOUIROQ-HNNXBMFYSA-N 483.958 5.970 50 10 JKGE Cc1cc(Br)c([C@H](Br)[C@]23C[C@H](C[C@H](C)O2)C3)c(C)c1Br 2368714442 UGBHOLNGSPEUCW-PVYXACFKSA-N 467.039 6.222 50 10 JKGE CC(C)(C)OC(=O)N1CCN(C[C@@](C)(CBr)C(C)(C)C)C[C@H]1CC(F)(F)F 2380179591 JDUQXOXASPQUJI-RDTXWAMCSA-N 459.391 5.307 50 10 JKGE O=C(CCc1ccccc1)N/N=C/c1cc(Br)ccc1OCc1cccc(F)c1 20521978 GDULURGWWQDPOS-CVKSISIWSA-N 455.327 5.250 50 10 JKGE CCCCCC[C@@H](C)Oc1ccc(C(=O)NNC(=O)c2ccc(O[C@H](C)CCCCCC)cc2)cc1 22022788 OSCKRLIEMDNOKQ-DNQXCXABSA-N 496.692 7.237 50 10 JKGE N#C/C(=C\c1ccc(N2N=C(c3ccccc3)C[C@@H]2c2ccccc2)cc1)c1nc2ccccc2[nH]1 33568774 JPIKBXUHKUNOIU-CVFWLPFASA-N 465.560 6.983 50 10 JKGE CCCCOc1ccc(/C=C(/C#N)C(=O)Nc2sc3c(c2C(=O)OCC)[C@@H](C)CCC3)cc1 33672609 ZEJOIPQXMCHZLD-STZPCZCHSA-N 466.603 6.089 50 10 JKGE N#C/C(=C\C1=C(N2CCOCC2)/C(=C/c2ccc(Cl)cc2Cl)CC1)C(=O)Nc1ccccc1F 33691711 RHRADDNSRSJNRL-UHOXYHJQSA-N 498.385 5.985 50 10 JKGE CCN1C(=O)C(C#N)=C(C)/C(=C\c2cn(-c3ccccc3)nc2-c2c(C)cc(C)cc2C)C1=O 38603067 JLLGJJRQGRWWRU-OEAKJJBVSA-N 450.542 5.077 50 10 JKGE CC(C)(C)c1ccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4cccc5ccccc45)ccc32)cc1 38649814 RREKMZLLXPIYCM-NDEPHWFRSA-N 474.560 6.575 50 10 JKGE CCCOc1ccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4cccc(Cl)c4)ccc32)cc1 38650707 QEPQTIGRFBDGEK-XMMPIXPASA-N 460.917 5.566 50 10 JKGE COc1cccc(C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@H]3c2c(Cl)cccc2Cl)c1 38679508 YCMMPSUPIKROMP-NRFANRHFSA-N 467.308 5.439 50 10 JKGE COc1cc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4ccc(C)cc4)ccc32)ccc1OCC(C)C 38684098 XSBVYIUFFRBCFH-MHZLTWQESA-N 484.552 5.476 50 10 JKGE N#CC1=C(N)Oc2cc(OC(=O)c3cccs3)ccc2[C@@H]1c1ccc(OCc2ccc(F)cc2)cc1 38686476 YWCJQKXTXFKFOV-SANMLTNESA-N 498.535 5.904 50 10 JKGE Cc1c(C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@H]3c2ccc(Cl)cc2)oc2ccc(Cl)cc12 38687784 CELDASUTCUAQMF-QHCPKHFHSA-N 491.330 6.485 50 10 JKGE Cc1ccc(NC(=O)c2oc3c(c2C)/C(=N/NC(=O)c2ccc(Cl)cc2Cl)CCC3)c(C)c1 40813671 NKUPQWUXDWCQSW-ZTKZIYFRSA-N 484.383 6.234 50 10 JKGE Cc1occc1C(=O)N/N=C1\CCCc2oc(C(=O)Oc3ccc(Cl)cc3Cl)c(C)c21 40823581 AEEXEEOLMHRXPU-PCLIKHOPSA-N 461.301 5.486 50 10 JKGE Cc1cc(C)c2c(CC(=O)N/N=C3\CCCc4oc(C(=O)Nc5ccccc5)c(C)c43)coc2c1 40826964 URMVGZKMHFSOJJ-MWAVMZGNSA-N 469.541 5.603 50 10 JKGE CCOC(=O)/C(C#N)=C/c1ccc(OC(=O)c2sc3ccc(OC)cc3c2Cl)c(OCC)c1 41008067 PADXIMUETBLXTD-XNTDXEJSSA-N 485.945 5.651 50 10 JKGE Cc1ccc(/C=N/NC(=O)CCCSc2nnc(CCc3ccccc3)n2-c2ccccc2)cc1 58990478 SZDGNLPKWGNQLA-XHLNEMQHSA-N 483.641 5.384 50 10 JKGE CC1(C)[C@H](Br)C[C@H]1Oc1c(I)cc(Cl)c2cccnc12 97646906 JNMYGPOWQVDCGK-VXGBXAGGSA-N 466.544 5.434 50 10 JKGE CC(C)(C)[C@@H]1CC2=C(OC(N)=C(C#N)[C@H]2c2ccc(Cl)cc2)/C(=C\c2ccc(Cl)cc2)C1 98064677 PKPNCDBPQDISDP-MAMZDSAZSA-N 465.424 7.595 50 10 JKGE Cc1ccc(N2C(=O)[C@@H](Cc3ccccc3)S/C2=C(/C#N)C(=O)Nc2ccccc2)cc1C 101244789 GRHRKXNUXKZPKQ-NLTRVXJZSA-N 453.567 5.368 50 10 JKGE CCCCCCCCCCCCCCCCNc1ncnc(NNC(=O)c2ccccc2)c1[N+](=O)[O-] 101479290 WCIGQAQQAXIUNQ-UHFFFAOYSA-N 498.672 7.035 50 10 JKGE CCOc1ccc(Br)cc1[C@@H](Br)c1ccc(Br)cc1F 109871940 ICDVCKKWSLJSCH-HNNXBMFYSA-N 466.970 6.234 50 10 JKGE CCOc1ccc([C@H](Br)c2ccc(Br)c(F)c2)c(Br)c1 123757285 FMXVFJKRRQTXOH-OAHLLOKOSA-N 466.970 6.234 50 10 JKGE Fc1cccc(F)c1C[C@@H](Br)c1cc(Br)c(Br)s1 128218442 MYXOLUTZHWDCCC-SSDOTTSWSA-N 460.963 6.230 50 10 JKGE Cc1cc(Br)c([C@@H](Cl)c2ccccc2Br)cc1Br 128626487 ZUUMGINXYUBFKE-AWEZNQCLSA-N 453.399 6.611 50 10 JKGE Cc1ccc([C@H](Br)c2csc3c(Br)cccc23)cc1Br 130497164 PNWZEDUPJVSKKV-HNNXBMFYSA-N 475.043 7.219 50 10 JKGE Cc1c(Cl)cccc1N/C=C(/C#N)C(=O)N1CCN(C(c2ccccc2)c2ccccc2)CC1 216486922 HRSBFZDYLKOATP-GFMRDNFCSA-N 471.004 5.402 50 10 JKGE Cc1sc([C@H](Br)c2c(F)cc(Br)cc2F)cc1Br 227835756 DUVZOGYHWQKTMP-LBPRGKRZSA-N 460.963 6.344 50 10 JKGE Brc1cc([C@@H](Br)c2cc3c(cc2Br)OCCO3)cs1 232484131 FGRBZLWZEUDTJZ-CYBMUJFWSA-N 468.992 5.529 50 10 JKGE CCOc1ccc(Br)cc1C=NNC(=O)[C@@H](C)Sc1nc2ccccc2s1 254737438 GYFADTRIPCVEMN-GFCCVEGCSA-N 464.410 5.088 50 10 JKGE CCCCc1ccc(OCC(=O)NN=Cc2ccc(OC(=O)/C=C/c3ccccc3)cc2)cc1 254813009 LZKJFYJDIJZJGC-BRAQTLBZSA-N 456.542 5.177 50 10 JKGE CCCOc1ccc(C=NNC(=O)CSc2nnc(-c3ccccc3)n2-c2ccc(C)cc2)cc1 254818470 NKGFLXXBBSNYAX-UHFFFAOYSA-N 485.613 5.274 50 10 JKGE O=C1OC(=O)[C@@H]2[C@H]3C[C@@H]([C@@H]4Sc5[nH]c(=S)sc5[C@H](c5ccc(-c6ccccc6)cc5)[C@H]43)[C@H]12 256026578 PHOFNUBNOBJTPG-JXUVHZKSSA-N 477.632 5.661 50 10 JKGE BrCc1cc(I)cc2cc(I)sc12 306608596 JHYOIAKMXXMBLM-UHFFFAOYSA-N 478.918 5.005 50 10 JKGE BrCC(CBr)(CCC1CCCC1)c1ccc(Br)cc1 388798086 OHEWUKOZMJQYAC-UHFFFAOYSA-N 453.056 6.447 50 10 JKGE C[C@@H](COCc1ccccc1)n1c(CCCl)nc2cc(I)c(F)cc21 390555357 QDMYFHVKFRPLAV-ZDUSSCGKSA-N 472.729 5.339 50 10 JKGE COc1cc(C)c(Br)cc1[C@H](Br)c1cc(Br)oc1C 396502634 SJXGOAJDGBRQGU-CQSZACIVSA-N 452.968 5.914 50 10 JKGE Cc1ccc(Br)c([C@H](Br)c2cc(Cl)c(Cl)c(Cl)c2Cl)c1 404655561 NFMPCVBHAAWVOT-NSHDSACASA-N 477.838 7.855 50 10 JKGE CCC[Si](OC)(OC)OCC(F)(F)C(F)(F)C(F)(F)C(F)(F)[C@H](F)CC(F)(F)F 575444410 LBTSNEJGMVFUEW-MRVPVSSYSA-N 478.346 5.476 50 10 JKGE CC(C)(C)[Si](C)(C)OCCc1cccc([C@@H]2CCN(S(=O)(=O)c3ccccc3)CCO2)c1 616594792 QSLTWZFXQJGZQY-DEOSSOPVSA-N 475.727 5.403 50 10 JKGE Clc1ccc([C@@H](Br)c2scc(Br)c2Br)c(Cl)c1 705417406 GSXKYKWZGVIMMM-SECBINFHSA-N 479.846 7.064 50 10 JKGE Fc1ccc(C[C@H](Br)c2scc(Br)c2Br)cc1F 705494243 XIDYBTMKGYWBPO-ZETCQYMHSA-N 460.963 6.230 50 10 JKGE C[C@H](OC1(CI)CCN(C(=O)OC(C)(C)C)CC1)C1CCCCC1 719738855 WEAZCXYRMPFRHF-HNNXBMFYSA-N 451.389 5.177 50 10 JKGE CCOc1cc(C=NNC(=O)c2ccccc2-n2cccc2)ccc1OCc1ccc(Cl)cc1 1083912861 BEUPOAIURGYUEV-UHFFFAOYSA-N 473.960 5.872 50 10 JKGE Cc1cc(/C=C(\C#N)C(=O)Nc2ccc(Cl)c(Cl)c2)c(C)n1-c1ccc(C(=O)O)c(Cl)c1 1083951783 UCVXTVYFNSHNDP-OVCLIPMQSA-N 488.758 6.298 50 10 JKGE COc1cccc(C=NNC(=O)c2ccc(Cl)cc2)c1OCc1ccc(Cl)cc1Cl 1083955348 SNCBABSUXRCXAL-UHFFFAOYSA-N 463.748 5.998 50 10 JKGE Cc1cccc(NC(=O)/C(C#N)=C\c2cc(Cl)ccc2OCc2ccccc2Cl)c1C 1083970579 AYPXMDFNLWEEOP-NDENLUEZSA-N 451.353 6.735 50 10 JKGE O=C(COc1ccc(Br)cc1Br)NN=Cc1cccc(Cl)c1Cl 1084047335 GPWNHSCGPOQUCF-UHFFFAOYSA-N 480.971 5.048 50 10 JKGE N#C/C(=C\c1ccc(OCc2ccc3ccccc3c2)cc1)C(=O)Nc1cccc(Cl)c1Cl 1084459236 FTIVGJCGSAOUMZ-HYARGMPZSA-N 473.359 7.271 50 10 JKGE CCCCc1ccc(NC(=O)c2oc3c(c2C)C(=NNC(=O)c2ccc(Cl)cc2)CCC3)cc1 1772743943 ONPRIJQUNJBRAU-UHFFFAOYSA-N 477.992 6.307 50 10 JKGE Cc1c(C(=O)Oc2cccc3cccnc23)oc2c1C(=NNC(=O)c1ccc3ccccc3n1)CCC2 1772750945 DKJCGVSGFNGZIC-UHFFFAOYSA-N 490.519 5.374 50 10 JKGE CN(C)c1ccc([C@@H]2C(C#N)=C(N)Oc3c2c(C(F)(F)F)nn3-c2ccc(Cl)c(Cl)c2)cc1 1865683929 QMAQROQRELGEPH-QGZVFWFLSA-N 494.304 5.482 50 10 JKGE Cc1ccc([C@@H]2C(C#N)=C(N)Oc3c2c(-c2ccccc2)nn3Cc2ccc(Cl)c(Cl)c2)cc1 1865686732 ZBQOQHCDMZPUJY-HSZRJFAPSA-N 487.390 6.432 50 10 JKGE CCCc1nn(Cc2cccc(F)c2)c2c1[C@H](c1c(OC)ccc3ccccc13)C(C#N)=C(N)O2 1865688469 SKGGWLNCCBXSHD-VWLOTQADSA-N 468.532 5.403 50 10 JKGE Cc1ccc(COc2ccc([C@@H]3C(C#N)=C(N)Oc4c3c(C)nn4Cc3ccc(F)cc3)cc2)cc1 1865693636 PPEKDFWMIDSOPM-HHHXNRCGSA-N 480.543 5.485 50 10 JKGE CCCCCOc1ccc([C@H]2C(C#N)=C(N)Oc3c2c(C)nn3Cc2ccccc2Cl)cc1OC 1865695029 IBAYSRBCCHFVPH-VWLOTQADSA-N 493.007 5.689 50 10 JKGE CCCc1nn(Cc2cccc(Cl)c2)c2c1[C@@H](c1cn(C)c3ccccc13)C(C#N)=C(N)O2 1865698958 GYSYSDFBILZUDW-HSZRJFAPSA-N 457.965 5.247 50 10 JKGE CCN(CC)c1ccc([C@H]2C(C#N)=C(N)Oc3c2c(-c2ccccc2)nn3Cc2ccc(C)cc2)cc1 1865702261 QXWLZQLGZPWUPI-MHZLTWQESA-N 489.623 5.971 50 10 JKGE CCCOc1ccccc1[C@H]1C(C#N)=C(N)Oc2c1c(-c1ccc(OC)cc1)nn2CC(C)C 1865702805 FONXFPKZBYZIJO-QHCPKHFHSA-N 458.562 5.222 50 10 JKGE CCCc1nn(Cc2cc(C)ccc2C)c2c1[C@H](c1ccc(Cl)c([N+](=O)[O-])c1)C(C#N)=C(N)O2 1865706274 RXOLRAPMAAHMTK-JOCHJYFZSA-N 477.952 5.281 50 10 JKGE N#C/C(=C(/O)Cc1cc(Cl)ccc1Cl)c1nc(-c2ccc(-c3ccccc3)cc2)cs1 1872743607 CWBPSQHPJGOJKZ-FLFQWRMESA-N 463.389 7.819 50 10 JKGE CC[C@H](C)[C@@H](/C(O)=C(\C#N)c1nc(-c2cccc(OC)c2)cs1)N1C(=O)c2ccccc2C1=O 1872744267 JXSCWXKQPOZLEA-HZBAIHJFSA-N 473.554 5.322 50 10 JKGE N#C/C(=C(/O)CCCCCNC(=O)c1ccccc1)c1nc(-c2ccc(Cl)cc2Cl)cs1 1872744697 DTAYWTWJOYCVKN-QOCHGBHMSA-N 486.424 6.900 50 10 JKGE COc1ccc(/C=C/C(O)=C(\C#N)c2nc(-c3cc(C)c(Cl)cc3OC)cs2)c(OC)c1 1872757243 WHDOJFSYJXVHOL-LGIBAPSDSA-N 468.962 6.304 50 10 JKGE CCCCOc1ccc(/C(O)=C(\C#N)c2nc(-c3ccc(OC)c(Cl)c3)cs2)cc1OCC 1872757599 NCBWHWUSGNXUFY-MOHJPFBDSA-N 485.005 7.000 50 10 JKGE N#C/C(=C(/O)c1c(Cl)ccc(Cl)c1Cl)c1nc(-c2cc(Cl)ccc2Cl)cs1 1872758486 CHRITDFAAGNNCD-YVLHZVERSA-N 476.599 8.027 50 10 JKGE COc1ccc(/C=C/C(O)=C(\C#N)c2nc(-c3cc(Cl)ccc3OC)cs2)cc1OC 1872758705 MLVYJAYYFGBESP-CCHZAIEZSA-N 454.935 5.995 50 10 JKGE COc1ccc(-c2csc(/C(C#N)=C(\O)c3ccc(OCC(C)C)cc3)n2)c2ccccc12 1872758987 ZXBSIJPATFRNSJ-RWEWTDSWSA-N 456.567 6.957 50 10 JKGE COc1cc(/C=C(\C#N)c2nc(C(C)C)cs2)ccc1OCc1ccc(Cl)cc1Cl 1872791627 MWYWPSIIXHNMHI-CAOOACKPSA-N 459.398 7.225 50 10 JKGE CCOc1ccc(OCC)c(-c2csc(/C(C#N)=C/c3ccc(OCc4ccccc4C)cc3)n2)c1 1872792574 GJCHWWBVAWQXSR-LFVJCYFKSA-N 496.632 7.559 50 10 JKGE CCOc1cc(/C=C(\C#N)c2nc(-c3cc(C)c(OC)cc3C)cs2)ccc1OCc1ccccc1 1872794764 VRUVDZFOUMPAPO-BUVRLJJBSA-N 496.632 7.477 50 10 JKGE Brc1ccc([C@H](CI)OCCOCc2ccccc2)cc1 1884492557 AOXIOBQUYQUHCU-KRWDZBQOSA-N 461.137 5.159 50 10 JKGE COc1cc(C)c([C@H](Cl)c2cc(Br)c(Br)s2)cc1Br 1901586932 SYXBCQHBSQMYFJ-LBPRGKRZSA-N 489.454 6.681 50 10 JKGE CC(C)(C)[C@@H](Br)CCc1ccc(I)c(Br)c1 1904326614 HXESWRQNWPKMLO-LBPRGKRZSA-N 459.991 5.796 50 10 JKGE O=C(c1c(Br)cccc1Br)N(Cc1ccccc1)[C@H](CCl)C1CC1 1915151331 JMVNAZOQWZTGOG-QGZVFWFLSA-N 471.620 5.871 50 10 JKGE Cl[C@H](c1c(Br)sc(Br)c1Br)[C@@H]1C[C@H]2CC[C@H]1O2 1924605904 YMAVQCGEGDNFNE-JEMLMZEFSA-N 465.432 5.883 50 10 JKGE CC1(C[C@@H](Cl)c2c(Br)sc(Br)c2Br)CCCC1 2003176143 PEDNZTYVOSIIMS-SSDOTTSWSA-N 465.476 7.286 50 10 JKGE Cc1c(Br)ccc([C@@H](Cl)c2sncc2Br)c1Br 2024293044 FPCJEECDKVKUIZ-SNVBAGLBSA-N 460.416 6.067 50 10 JKGE C/C(=N/NC(=O)c1ccccc1NS(=O)(=O)c1cccs1)c1ccc(Oc2ccccc2)cc1 2059028664 WZESEUAOBNNFDU-ITYLOYPMSA-N 491.594 5.495 50 10 JKGE CCc1ccc(-n2c(Cl)nc(Cl)c2CBr)cc1I 2065422344 KSCDZZIXUFLBSP-UHFFFAOYSA-N 459.940 5.241 50 10 JKGE Clc1c(Br)sc(Br)c1[C@H](Br)[C@H]1C[C@H]1C1CCCC1 2079392137 IMEWNLPEZSGFGB-OYNCUSHFSA-N 477.487 7.189 50 10 JKGE Brc1cc([C@H](Br)[C@H]2C[C@H]2C2CCOCC2)sc1Br 2079393413 QIURCRLRBIBINS-HOTUBEGUSA-N 459.041 5.772 50 10 JKGE COc1cc(F)c([C@@H](Br)c2csnc2Br)cc1Br 2082780073 BBAUHZCPVFTZKQ-SNVBAGLBSA-N 459.960 5.300 50 10 JKGE BrCc1ccc(Br)cc1N1CCC[C@H]1[C@@H]1CCN(Cc2ccccc2)C1 2089001446 VODHIFIIAALJRE-CTNGQTDRSA-N 478.272 5.835 50 10 JKGE Cc1cccc(Br)c1[C@H](Br)c1cc(Br)c(Cl)cc1F 2097835734 UQFIFTUJJXWUHI-CQSZACIVSA-N 471.389 6.797 50 10 JKGE C[C@H]1CCO[C@@H]1CCOc1c(Br)cc(Br)cc1CBr 2101103334 NXMDWCDABNVDPG-TVQRCGJNSA-N 457.000 5.300 50 10 JKGE FC1(F)[C@H]2C[C@](CBr)(Cc3ccc(Br)cc3Br)C[C@H]21 2107635523 YOVNZPCUMALTTE-PJXYFTJBSA-N 458.966 5.811 50 10 JKGE C[C@H](Cl)c1nc2cc(Cl)c(Br)cc2n1C[C@@H](C)COCc1ccccc1 2112697139 SAULHNQPKIFUQA-KGLIPLIRSA-N 456.211 6.605 50 10 JKGE CN(c1cc(Br)cc(F)c1CBr)[C@@H]1CC(C)(C)[C@H]1OCc1ccccc1 2114267219 DRTYWGHGJZQUIX-UXHICEINSA-N 485.235 6.303 50 10 JKGE Cc1cc(Br)c(CBr)c(N2CC[C@H]3CN(Cc4ccccc4)C[C@H]3C2)c1 2116826671 VUMIGTDEMHRUGV-OALUTQOASA-N 478.272 5.611 50 10 JKGE Cc1c(C)c(C)c([C@H](Br)c2cc(I)sn2)c(C)c1C 2120031118 GIOBMMSDMREECW-OAHLLOKOSA-N 450.183 5.774 50 10 JKGE Cc1cc(F)c(Cl)cc1[C@H](Br)c1cc(Br)ccc1Br 2137069798 GTSRTBXROIREPR-AWEZNQCLSA-N 471.389 6.797 50 10 JKGE Cc1c(Br)ccc([C@@H](Br)[C@H]2CCCCC2(F)F)c1Br 2138849607 FLUYOEMZOLXRMR-ZWNOBZJWSA-N 460.982 6.782 50 10 JKGE CC1(C)C[C@@H](n2c(CCCl)nc3cc(I)ccc32)[C@@H]1OCc1ccccc1 2156376044 OIOSGKWHHRURPW-CTNGQTDRSA-N 494.804 5.979 50 10 JKGE CCc1cc(Br)ccc1Oc1cc(C)cc(Br)c1CBr 2197473402 MAHXMLDSUAQIJB-UHFFFAOYSA-N 463.007 6.770 50 10 JKGE Cc1cc(Br)c(C)c([C@@H](Br)C(C)(C)[C@H]2CCCO2)c1Br 2201065885 VAVXOTLGXZHSLW-IUODEOHRSA-N 469.055 6.470 50 10 JKGE BrCc1ccc(OC[C@@H]2CC2(Br)Br)c(Br)c1 2210243570 AXEIRTYTBUOARO-QMMMGPOBSA-N 477.816 5.229 50 10 JKGE Cc1cc(Br)c(C)c([C@H](Cl)c2nn(C)nc2Br)c1Br 2226973061 UXZBLGAPYBXHOG-JTQLQIEISA-N 472.406 5.048 50 10 JKGE Cc1cc([C@@H](Br)c2c(Br)sc(C)c2C)cc(C)c1Br 2227424307 HXRUPQKEVNTBBL-CQSZACIVSA-N 467.064 6.991 50 10 JKGE Clc1cc(Br)ccc1C[C@H](Cl)c1cc(Br)ccc1Br 2229154805 SHYIPTLDSUYEON-AWEZNQCLSA-N 487.844 7.150 50 10 JKGE Clc1sc([C@@H](Br)c2ccc3c(c2Br)CCO3)cc1Br 2229739101 MHICDAFTTMEANY-LBPRGKRZSA-N 487.438 6.346 50 10 JKGE Fc1cc(Br)c(Br)cc1[C@H](Br)[C@H]1C[C@H]2CCC[C@H](C2)C1 2233981246 FYCIBIRXPWRNOY-ZAQLIGFBSA-N 469.030 7.003 50 10 JKGE Fc1cc(Br)c(Br)cc1[C@H](Br)[C@@H]1CCn2nccc2C1 2233982543 WTJLICVAEUZJFI-XLKFXECMSA-N 466.974 5.246 50 10 JKGE CCCCCCc1ccc([C@@H](Cl)c2cc(Br)sc2Br)s1 2234125100 XUSDIOXQWJSDMM-AWEZNQCLSA-N 456.696 7.786 50 10 JKGE Cc1cc(Br)c([C@@H](Br)C[C@H]2COC(C)(C)C2)c(C)c1Br 2235598776 JHGITJNHAHDESY-YPMHNXCESA-N 469.055 6.470 50 10 JKGE Brc1cc(CNC2CCC2)cc(Br)c1OC[C@H]1C[C@@H]1Br 2240050741 ZYEDUYFYVXJSOZ-PWSUYJOCSA-N 468.027 5.016 50 10 JKGE O=C(Nc1ccc(OC[C@H]2C[C@@H]2Cl)cc1C(=O)O)OCC1c2ccccc2-c2ccccc21 2243589983 XOXGYOKBLWENBI-CMJOXMDJSA-N 463.917 5.752 50 10 JKGE C[C@H]1C[C@H]1CCCCOC1(CI)CCN(C(=O)OC(C)(C)C)CC1 2248459918 CUUCECLROMBSKG-JKSUJKDBSA-N 451.389 5.034 50 10 JKGE Cc1cc([C@H](Br)c2ccc(Cl)c(I)c2)c(Cl)cc1F 2268278486 HAEBTGTXPMHPTI-CQSZACIVSA-N 473.938 6.530 50 10 JKGE COC[C@]1(C)C[C@@H]1[C@H](Br)c1c(C)c(Br)cc(C)c1Br 2269277288 BXKATWILBGNCRE-ONERCXAPSA-N 455.028 5.937 50 10 JKGE COC[C@]1(C)C[C@H]1[C@H](Br)c1c(Br)cc(C)c(Br)c1C 2269279985 LZDHXGVJXBDJEX-LKTVYLICSA-N 455.028 5.937 50 10 JKGE Fc1cc(C[C@@H](Br)c2ccc(I)c(Cl)c2)ccc1Cl 2277790784 HQYNZGNZYHSQIQ-SNVBAGLBSA-N 473.938 6.416 50 10 JKGE Fc1cc(Br)c(F)c(Br)c1[C@@H](Cl)c1cc2cscc2s1 2288361470 BYSYJJGLVVUHKH-LBPRGKRZSA-N 458.574 7.094 50 10 JKGE FC(F)(F)[C@@H]1CCO[C@@H]1[C@H](Br)c1cc2sc(Br)cc2s1 2295414509 PGWMSAOYTXHCCX-ORCOQGSOSA-N 450.139 6.129 50 10 JKGE CC1=NN(c2ccc(Cl)c(C(=O)O)c2)C(=O)C1=Cc1ccc(N(CCCl)CCCl)cc1 2296412445 XUUKBNSAUFVPMU-UHFFFAOYSA-N 480.779 5.128 50 10 JKGE Cc1ccc(C[C@@H]2SC(=C(C#N)C(=O)Nc3ccc(F)cc3)N(c3ccc(Cl)cc3)C2=O)cc1 2296643191 SEVUFBHNSMBOIG-QHCPKHFHSA-N 491.975 5.853 50 10 JKGE COc1ccc(-c2csc(C(C#N)=Cc3cccc(OCc4ccccc4)c3)n2)cc1OC 2296751898 MDWKJXVXCBXPJC-UHFFFAOYSA-N 454.551 6.470 50 10 JKGE CCOC(=O)c1sc(NC=C(C#N)c2nc(-c3ccc(CC)cc3)cs2)c(C(=O)OCC)c1C 2296790075 MDAHZTLTKKEBFL-UHFFFAOYSA-N 495.626 6.072 50 10 JKGE FC1(F)C[C@]12C[C@H]2[C@H](Br)c1ccc(OCc2ccccc2)cc1Br 2299487923 BBAWGOPAKNKWLD-JQHSSLGASA-N 458.140 6.509 50 10 JKGE Clc1cc([C@@H](Cl)c2cc(Br)ccc2OCc2ccccc2)c(Cl)s1 2299532499 HPSPVQYTOULLHN-KRWDZBQOSA-N 462.623 7.725 50 10 JKGE Clc1ccc(Cl)c([C@H](Br)c2sc(Cl)cc2I)c1 2300953963 QMXBSSJJRPGXKY-JTQLQIEISA-N 482.395 6.797 50 10 JKGE O=C(N[C@@H](CCBr)COCc1ccccc1)c1cc(Br)ccc1Cl 2303546002 ZZOCQEWQKYRNPH-HNNXBMFYSA-N 475.608 5.203 50 10 JKGE CCOc1cc(C=C(C#N)C(=O)Nc2ccccc2)cc(Cl)c1OCc1ccccc1Cl 2313540906 BLWZDZWYNWTXKX-UHFFFAOYSA-N 467.352 6.517 50 10 JKGE CCOc1cc(C=C(C#N)C(=O)Nc2ccc(C)cc2)cc(Cl)c1OCc1cccc(F)c1 2313567043 BQBQBCRGGGNMAX-UHFFFAOYSA-N 464.924 6.311 50 10 JKGE CN(C)C(=O)C(C#N)=Cc1ccc(OCc2ccc(Cl)cc2Cl)c(Br)c1 2313567535 LEUNMNGYMLQBFI-UHFFFAOYSA-N 454.151 5.330 50 10 JKGE Brc1ccc(OCc2ccccc2)c([C@H](Br)C2C[C@@H]3CCC[C@H]3C2)c1 2314456242 VLWLZNUPNGNNNU-PNLZDCPESA-N 464.241 7.290 50 10 JKGE C=CCNC(=O)C(C#N)=C1S[C@@H](Cc2cc(Cl)cc(Cl)c2)C(=O)N1c1ccc(CC)cc1 2314593526 OMVRHORDYUGFDU-NRFANRHFSA-N 486.424 5.284 50 10 JKGE C=CCNC(=O)C(C#N)=C1S[C@H](Cc2cccc(C(F)(F)F)c2)C(=O)N1c1ccc(C)c(C)c1 2314593626 QBHAISPWSVENBW-OAQYLSRUSA-N 485.531 5.051 50 10 JKGE CCOc1cc(C=C2C(=O)N(C3CCCCC3)C(=O)C(C#N)=C2C)ccc1OCc1ccccc1 2314616672 GXWLSFNPTVJOMW-UHFFFAOYSA-N 470.569 5.589 50 10 JKGE FC(F)(F)C([C@@H](Br)c1sc(Cl)cc1I)C(F)(F)F 2316598762 HGINDYNMAVZQMP-BYPYZUCNSA-N 487.428 6.183 50 10 JKGE Clc1cc(I)c([C@H](Br)C2C[C@H]3COC[C@H](C2)C3)s1 2316772965 VDKIKVNDDVFHEX-YVZVNANGSA-N 461.590 5.505 50 10 JKGE CCN(C[C@](C)(CI)OCC[C@H]1CC[C@@H]1C1CC1)C(=O)OC(C)(C)C 2319607612 AIUBTKAWIZVNBS-HLIPFELVSA-N 465.416 5.280 50 10 JKGE CCN(C[C@](C)(CI)OC[C@H]1CC[C@H]1C(C)(C)C)C(=O)OC(C)(C)C 2320182337 OMOKRZDENVMCRG-QINHECLXSA-N 467.432 5.526 50 10 JKGE Cc1sc2nc(SCC(=O)NN=Cc3ccc(Cl)cc3)nc(O)c2c1-c1ccccc1 2320486358 BLORUNAGQMRQDU-UHFFFAOYSA-N 468.991 5.268 50 10 JKGE COc1ccc([C@@H](Br)c2csc(C)c2Br)c(Br)c1 2320498061 TWVGJBUWOFSXHA-CYBMUJFWSA-N 455.009 6.074 50 10 JKGE CC[C@]1(C)[C@@H](Br)CCN1Cc1ccc(I)c(Br)c1 2325214230 NRVYWJDIEABQGN-UONOGXRCSA-N 487.017 5.192 50 10 JKGE Cc1cc(-c2csc(C(C#N)=C(O)[C@H](CC(C)C)N3C(=O)c4ccccc4C3=O)n2)ccc1F 2331320337 AINSWLDAPKYTMG-QFIPXVFZSA-N 475.545 5.761 50 10 JKGE COc1ccc(-c2csc(C(C#N)=C(O)[C@H](C)Oc3ccc(Cl)cc3Cl)n2)cc1F 2331337648 OQDJZIXHKNTVDT-NSHDSACASA-N 465.333 6.525 50 10 JKGE COc1cc(C)c(-c2csc(C(C#N)=C(O)Cc3ccc(NC(C)=O)cc3)n2)cc1C(C)C 2331352228 VHIDTXLCLRTINZ-UHFFFAOYSA-N 461.587 6.244 50 10 JKGE COc1ccc(-c2csc(C(C#N)=C(O)C=Cc3cc(OC)c(OC)c(OC)c3)n2)cc1Cl 2331398349 KOTPSHGKSPEXHH-UHFFFAOYSA-N 484.961 6.004 50 10 JKGE COc1ccc(-c2csc(C(C#N)=C(O)CNC(=O)c3ccc(C(C)(C)C)cc3)n2)c2ccccc12 2331405172 ZPQMVVQHOYUYPF-UHFFFAOYSA-N 497.620 6.492 50 10 JKGE COc1ccc(Cl)cc1-c1csc(C(C#N)=C(O)CCCCCNC(=O)c2ccccc2)n1 2331411066 KBQVBLQEZRTQRP-UHFFFAOYSA-N 482.005 6.255 50 10 JKGE Fc1cc(Br)c(F)c(Br)c1[C@H](Br)[C@H]1C[C@@H]2CC[C@H]1C2 2334739493 GQFDDRAZVVEDKA-MOEZTCPLSA-N 458.966 6.362 50 10 JKGE Clc1c(Br)sc(Br)c1[C@@H](Br)[C@H]1C[C@H]2CCC[C@H]1CC2 2338742289 UXIPSLLYVJNWJD-KBIXCLLPSA-N 491.514 7.579 50 10 JKGE Cc1cc(Br)c(F)c(Br)c1[C@H](Br)C1[C@H]2CCCC[C@H]12 2339646227 PDBJQITUZXQWGQ-RVBZMBCESA-N 455.003 6.531 50 10 JKGE FC(F)(F)[C@]12C[C@]([C@@H](Br)c3sc(Cl)cc3I)(CO1)C2 2340938374 WBKGIOYRGKDVLF-GUBZILKMSA-N 487.506 5.554 50 10 JKGE ClC[C@@H](NCc1ccc(I)c(Br)c1)c1ccccc1 2349831550 SPFMJEJHALDXRV-OAHLLOKOSA-N 450.545 5.123 50 10 JKGE CC(C)(C)OC(=O)N1C[C@H](I)[C@H](OCC2CCC(CC(F)(F)F)CC2)C1 2353238443 KRWYZCPNJCPATJ-PFSRBDOWSA-N 491.332 5.185 50 10 JKGE CC(C)C[C@H](CBr)CN=[S@@](C)(=O)C[C@@H](NC(=O)OC(C)(C)C)C(C)(C)C 2353825197 ARGZLQBTQRHBNC-FBJHADKPSA-N 455.503 5.081 50 10 JKGE Cc1cc(Br)c([C@@H](Br)[C@H]2CC[C@@H]3[C@H](C2)C3(F)F)cc1Br 2354772615 YILHJXIUFVOHEN-ZMZKGCHWSA-N 472.993 6.637 50 10 JKGE Clc1sc(Br)c(Cl)c1[C@@H](Br)[C@@H]1C[C@H]1C1CCCCCC1 2357682272 KCZSVXGQFPSERF-UMNHJUIQSA-N 461.090 7.860 50 10 JKGE Clc1ccc(CN2CC[C@@H]3CC[C@H](Br)C[C@@H]3C2)cc1I 2362369005 TYGDXQRIYUCVND-MJBXVCDLSA-N 468.604 5.330 50 10 JKGE CCc1sc(Br)cc1[C@H](Br)CCc1cc(Cl)cc(Cl)c1 2366800379 ZQFBYQZNNGYLHB-CYBMUJFWSA-N 457.058 7.449 50 10 JKGE CC[C@H](Nc1ccccc1)C(=O)N/N=C/c1ccccc1OCc1cccc(Br)c1 1953110 MZIYNZLPFLDQEQ-SYOQMXFQSA-N 466.379 5.369 50 10 JKGE N#C/C(=C\c1ccc(-c2ccccc2Cl)o1)c1nc(-c2ccc(Br)cc2)cs1 28357014 XVALJNHLBHTEBI-RVDMUPIBSA-N 467.775 7.550 50 10 JKGE COC(=O)/C(=C(/F)S/C(C#N)=C1/NC2(CCCCC2)Cc2cc(C)c(C)cc21)C(F)(F)F 34829298 KJEFTFOQOHTHAO-XPWSMXQVSA-N 468.516 5.994 50 10 JKGE N#C/C(=C\C1=C(N2CCOCC2)/C(=C\c2cccc([N+](=O)[O-])c2)CC1)c1nc2ccccc2s1 35315350 ZABSYIPSRRDTNB-ANSNAQEKSA-N 470.554 5.575 50 10 JKGE COc1cccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)C(c4ccccc4)c4ccccc4)ccc32)c1 38650249 ZBHFVCMLBMVNFF-GDLZYMKVSA-N 488.543 5.651 50 10 JKGE CCOc1ccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4ccccc4Cl)ccc32)cc1OC 38659460 JOWWWWZZWYBLLP-XMMPIXPASA-N 476.916 5.185 50 10 JKGE CSc1ccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)[C@H](C)Oc4ccccc4F)ccc32)cc1 38682427 UUXIUTQVHQGGIM-OWJWWREXSA-N 476.529 5.139 50 10 JKGE Cc1ccc(C)c(NC(=O)/C(C#N)=C\c2c(Oc3cccc(C)c3C)nc3c(C)cccn3c2=O)c1 39858809 CPYJDKZBXOXCMR-JCMHNJIXSA-N 478.552 5.575 50 10 JKGE Cc1cc(C)c2c(CC(=O)N/N=C3\CCCc4oc(C(=O)N(C)c5ccccc5)c(C)c43)coc2c1 40826945 NCEKCPGRNSGKFI-JBASAIQMSA-N 483.568 5.627 50 10 JKGE COc1cc(/C=N/NC(=O)COc2cccc(C(C)C)c2)ccc1OCc1ccccc1Cl 40888511 MLUYQHMLKUNAPI-RWPZCVJISA-N 466.965 5.580 50 10 JKGE Cc1cccc(C)c1NC(=O)CSc1ccc(/C=N/NC(=O)Cc2cccc3ccccc23)o1 59506426 ABIOFFSGIMQGKS-LQKURTRISA-N 471.582 5.473 50 10 JKGE ClCc1nc2cc(I)ccc2n1Cc1ccccc1Br 97354268 YHTPBHVBLNFUDG-UHFFFAOYSA-N 461.528 5.191 50 10 JKGE COc1ccc(Br)cc1/C=N/NC(=O)c1cccc(NC(=O)c2cccc(Cl)c2)c1 97729898 BGJPUMZHTZLFCX-DHRITJCHSA-N 486.753 5.127 50 10 JKGE N#C/C(=C/Nc1ccc(I)cc1)c1nc(-c2ccc(Cl)c(Cl)c2)cs1 100391295 LUGDOSBHHRVCLS-XFXZXTDPSA-N 498.176 6.698 50 10 JKGE Cc1ccc(OC(=O)[C@@]23CC[C@@](C(Br)Br)([C@@H]2Br)C3(C)C)cc1 100935534 XSBMPIFZXOTMSB-AFAVFJNCSA-N 495.049 5.586 50 10 JKGE N#C/C(=C/Nc1ccc(Cl)cc1C(=O)c1ccccc1)c1nc(-c2ccc([N+](=O)[O-])cc2)cs1 102417867 CSWKVVJEKGBOBG-JXAWBTAJSA-N 486.940 6.579 50 10 JKGE COc1ccc2cc([C@H](Br)c3csc(I)c3)ccc2c1 124427383 QNIXDLRWKWEHAB-INIZCTEOSA-N 459.146 5.999 50 10 JKGE Clc1ccc(Br)cc1[C@H](Cl)c1cc(Br)c(Br)s1 128185691 KFTSBMGZMSLLIM-JTQLQIEISA-N 479.846 7.017 50 10 JKGE CCOc1cc(Cl)c([C@H](Cl)c2cc(Br)ccc2Br)cc1Cl 161120291 ZRFGAQBKDKIWRV-OAHLLOKOSA-N 473.419 7.245 50 10 JKGE CCCCN1C(=O)C(C#N)=C(C)/C(=C/c2cn(-c3ccccc3)nc2-c2c(C)cc(C)cc2C)C1=O 214223963 GEUSKXRQWZNWSA-XYGWBWBKSA-N 478.596 5.857 50 10 JKGE CN1CCN(c2ccc(N/C=C(/C#N)C(=O)Nc3ccccc3Sc3ccccc3)cc2)CC1 217243724 ZBLKXLGODADUGD-MRCUWXFGSA-N 469.614 5.048 50 10 JKGE Cc1cc(Br)c([C@@H](Br)c2ccc(Cl)c(F)c2)cc1Br 235812462 YTLJDTOYFFBNRE-AWEZNQCLSA-N 471.389 6.797 50 10 JKGE Fc1ccc([C@H](Cl)c2cc(Br)cc3c2OCC3)c(I)c1 236227857 HSEAODYHXXQLGY-AWEZNQCLSA-N 467.503 5.456 50 10 JKGE C[C@@H]1[C@@H](NC(=O)[C@@H](c2ccc(F)cc2)N(CCc2ccccc2)C(=O)CCl)CCC[C@H]1C 252586128 NRCBDAJWYNIMMC-JWZJQSSYSA-N 459.005 5.118 50 10 JKGE COc1ccc(Br)cc1[C@H](Br)c1cc(Cl)c(Br)cc1F 380270553 XFBVJSREQJZHPI-CQSZACIVSA-N 487.388 6.497 50 10 JKGE CC1(C)CC[C@H](COc2c(Br)cc(Br)cc2CBr)O1 388987831 BLQKKWGBUHZDNM-LLVKDONJSA-N 457.000 5.443 50 10 JKGE CC1(C)CN(c2cccc(Br)c2CBr)CCN1Cc1ccccc1 394703716 KOYUKWQRZJPTFI-UHFFFAOYSA-N 452.234 5.445 50 10 JKGE CC(C)(C)[Si](C)(C)OCCc1ccc([C@H]2c3ccccc3CCN2Cc2ccccc2)cc1 616677785 VLIHTXDVEMLWLW-LJAQVGFWSA-N 457.734 7.399 50 10 JKGE COCc1cc(Br)c([C@H](Br)c2ccc(Cl)c(Br)c2)s1 688149496 XEKMZJIZZKAKIF-GFCCVEGCSA-N 489.454 6.557 50 10 JKGE CC1(C)C[C@H](Br)C[C@@H](NC(=O)c2cc(Br)c(Br)s2)C1 693812450 DXOUQFGMOUJXFP-HTQZYQBOSA-N 474.056 5.345 50 10 JKGE N#C/C(=C/c1cc(Br)ccc1OCc1ccc(Cl)cc1)C(=O)Nc1ccc(F)cc1 1083988358 ZYBAOVHIYKXZBT-BOPFTXTBSA-N 485.740 6.366 50 10 JKGE CC(C)(C)c1ccc(C(=O)NN=C2C(=O)N(Cc3c(Cl)cccc3Cl)c3ccccc32)cc1 1084245798 DOWNSHQFSNREHB-UHFFFAOYSA-N 480.395 5.972 50 10 JKGE CC(C)Cc1ccc([C@H](C)C(=O)NN=C2C(=O)N(Cc3ccccc3F)c3ccccc32)cc1 1084337950 ZFWJPONMGDAXHO-IBGZPJMESA-N 457.549 5.195 50 10 JKGE COc1cccc(C=NNC(=O)CSc2ccc(Cl)cc2)c1OCc1c(F)cccc1Cl 1084373968 ARGFSKXQCOKDLA-UHFFFAOYSA-N 493.387 5.963 50 10 JKGE O=C(NN=Cc1ccc(Br)cc1)c1ccc([C@@H]2Nc3ccccc3[C@H]3C=CC[C@@H]32)cc1 1084437034 KVDXIYHAWLBVSG-VTZPFEBOSA-N 472.386 6.040 50 10 JKGE CC(C)(C)OC(=O)N1C[C@H](CI)[C@H](c2cc(C(F)(F)F)ccc2F)C1 1614690819 GRDBUDXQSOHIIG-GXFFZTMASA-N 473.248 5.230 50 10 JKGE COc1cc(C=NNC(=O)COc2ccc(Cl)cc2Cl)ccc1OCc1ccccc1Cl 1772752848 LLOICCABLTUDPH-UHFFFAOYSA-N 493.774 5.764 50 10 JKGE N#CC1=C(N)Oc2c(c(-c3ccccc3)nn2Cc2cccc(F)c2)[C@@H]1c1cccc(Cl)c1 1865683108 GAJCEKYYPWWRFA-JOCHJYFZSA-N 456.908 5.609 50 10 JKGE CCCOc1cccc([C@H]2C(C#N)=C(N)Oc3c2c(C)nn3-c2ccc(Cl)c(Cl)c2)c1 1865692164 BPSIUKIENYFCKJ-NRFANRHFSA-N 455.345 5.495 50 10 JKGE N#CC1=C(N)Oc2c(c(C(F)(F)F)nn2-c2cccc3ccccc23)[C@@H]1c1ccc2c(c1)OCCO2 1865698045 ISRFMQWXBYSYQW-OAQYLSRUSA-N 490.441 5.034 50 10 JKGE COc1ccc(-c2nn(-c3ccc(C)cc3)c3c2[C@@H](c2cn(C)c4ccccc24)C(C#N)=C(N)O3)cc1 1865698716 AZQOXLXBYKFPHF-AREMUKBSSA-N 487.563 5.566 50 10 JKGE CCCOc1ccccc1[C@@H]1C(C#N)=C(N)Oc2c1c(CC)nn2-c1cccc2ccccc12 1865702924 IKZWCUMEIUUSCC-RUZDIDTESA-N 450.542 5.595 50 10 JKGE CCCOc1ccccc1[C@@H]1C(C#N)=C(N)Oc2c1c(C(F)(F)F)nn2Cc1cc(C)ccc1C 1865703073 MMYJUTBEYYGOBJ-OAQYLSRUSA-N 482.506 5.574 50 10 JKGE CCN(Cc1ccccc1)c1ccc([C@@H]2C(C#N)=C(N)Oc3c2c(C)nn3-c2ccc(C)cc2)cc1 1865707156 PGDCWMXGJGOXNW-MUUNZHRXSA-N 475.596 5.734 50 10 JKGE Cc1nc(-c2ccc(F)c(F)c2)ccc1C(=O)NNC(=O)[C@H](Cc1ccccc1)c1ccccc1 1865757010 JIKYIVIARNUFTF-HSZRJFAPSA-N 471.507 5.123 50 10 JKGE Cc1nc(-c2ccc(Cl)c(Cl)c2)ccc1C(=O)NNC(=O)c1ccc(OC(C)C)cc1 1865759051 FPKBLBUATPAOPD-UHFFFAOYSA-N 458.345 5.226 50 10 JKGE N#CSc1ccc(Nc2cc(N3CCO[C@@H](c4ccccc4)C3)nc(-c3ccccc3)n2)cc1 1868364688 DFYAWALUUFWINP-XMMPIXPASA-N 465.582 6.038 50 10 JKGE COc1cc(/C=C(\C#N)c2cccs2)ccc1OCc1c(Cl)ccc(Cl)c1Cl 1872729439 KDNHTZUMHFVANC-NTEUORMPSA-N 450.774 7.360 50 10 JKGE CCCCCCCCCOc1ccc(/C=C(\C#N)c2nc3ccccc3n2CC)cc1OCC 1872731116 RBMSWDHASHZWPR-HIXSDJFHSA-N 459.634 7.648 50 10 JKGE N#C/C(=C(/O)c1cc([N+](=O)[O-])ccc1Cl)c1nc(-c2ccc(Cl)cc2Cl)cs1 1872745237 YWHVJAWKSYVGFZ-LGMDPLHJSA-N 452.706 6.628 50 10 JKGE COc1ccc(C(C)(C)C)cc1-c1csc(/C(C#N)=C(O)/C=C/c2ccc(Cl)c(Cl)c2)n1 1872751328 BXZJEBOOJAEPEW-UAWJGFCLSA-N 485.436 7.929 50 10 JKGE CC(C)N1C(=O)c2ccc(/C(O)=C(\C#N)c3nc(-c4c[nH]c5ccccc45)cs3)cc2C1=O 1872752972 BRWARIDHCCCLDF-PYCFMQQDSA-N 454.511 5.246 50 10 JKGE CCOc1ccc(C/C(O)=C(\C#N)c2nc(-c3cc(Cl)c(OC)c(Cl)c3)cs2)cc1 1872756112 RQPYBEWPMJJVHX-SILNSSARSA-N 461.370 6.560 50 10 JKGE Cc1ccc(C(C)(C)C)cc1-c1csc(/C(C#N)=C(\O)c2ccc(N3CCCC3)c([N+](=O)[O-])c2)n1 1872756189 TYHZPMAJQKWZDW-DAFNUICNSA-N 488.613 6.874 50 10 JKGE COc1cc(OC)c(-c2csc(/C(C#N)=C(\O)Cc3cccc4ccccc34)n2)cc1Cl 1872756584 QOBRPTWVOKDVMF-QOCHGBHMSA-N 462.958 6.669 50 10 JKGE CCCOc1ccc(/C=C(\C#N)c2nc(-c3cc(Cl)c(OC)cc3OC)cs2)cc1OCC 1872793473 BUDLORVQVJENQT-LICLKQGHSA-N 485.005 6.732 50 10 JKGE COc1ccc(-c2csc(/C(C#N)=C/c3ccc(Br)cc3)n2)c(OC)c1OC 1872795093 MVMYMANEJCLJBE-GXDHUFHOSA-N 457.349 5.663 50 10 JKGE Clc1cc([C@H](Br)c2cc(I)sn2)c(Cl)s1 1909889944 WZALFUJFUAHBRB-ZETCQYMHSA-N 454.967 5.600 50 10 JKGE C[C@H](CBr)N(Cc1ccccc1)Cc1ccc(Br)cc1Br 1914349329 XOXPHBQCXDJJTB-CYBMUJFWSA-N 476.050 5.997 50 10 JKGE C[C@H](CCBr)N(Cc1ccccc1)S(=O)(=O)c1ccc(Cl)c(Cl)c1 1915094211 FMCLLICVGABKCM-CYBMUJFWSA-N 451.213 5.358 50 10 JKGE CC[C@@H](Br)CN(Cc1ccccc1)C(=O)c1cccc(I)c1 1915133941 YZFCLTMQXQKJKK-MRXNPFEDSA-N 472.164 5.107 50 10 JKGE CC(C)[C@@H](CCl)N(Cc1ccccc1)S(=O)(=O)c1c(Cl)cccc1Br 1915267737 GDSSDYDMGBWSEY-QGZVFWFLSA-N 465.240 5.557 50 10 JKGE Fc1ccc(Cl)cc1[C@@H](Br)c1sc(Br)cc1Br 1922934801 JXFSSLREKQPHBD-SNVBAGLBSA-N 463.391 6.550 50 10 JKGE Clc1ccc(Cl)c([C@@H](Br)c2sc(Br)cc2Br)c1 1922935339 ORYIHTOCTZQJFA-SNVBAGLBSA-N 479.846 7.064 50 10 JKGE CCCCCCCCC[C@H](Br)c1sc(Br)cc1Br 1922945225 DNMJQGIMXJQAFP-NSHDSACASA-N 461.101 7.850 50 10 JKGE CC(C)(C1CCC1)[C@@H](Br)c1c(Br)sc(Br)c1Cl 1923049083 KNKVFNZGHBZQJV-VIFPVBQESA-N 465.476 7.189 50 10 JKGE CC1(C)C[C@@H]([C@H](Br)c2c(Br)sc(Br)c2Cl)C(C)(C)O1 1923060399 CDAILBKLKAAYRK-XPUUQOCRSA-N 495.502 6.956 50 10 JKGE Clc1c(Br)sc(Br)c1[C@@H](Br)[C@@H]1C[C@@H]2O[C@H]1[C@H]1C[C@@H]21 1923066965 XCOQKHFYBYKKKC-PSOOGQHYSA-N 477.443 5.786 50 10 JKGE Fc1cccc(Cl)c1[C@@H](Cl)c1c(Br)sc(Br)c1Br 1924591619 SNPVUYZTUSNPJQ-SECBINFHSA-N 497.836 7.156 50 10 JKGE Brc1nscc1[C@H](Br)c1cc(C2CC2)c(Br)s1 1925269269 FBGSXVZZGLOQFE-VIFPVBQESA-N 458.038 6.091 50 10 JKGE Brc1cnccc1C[C@H](Br)c1cscc1OCc1ccccc1 1939519500 AWAAPVDHKBZMFP-INIZCTEOSA-N 453.199 6.163 50 10 JKGE Cc1csc([C@H](Cl)c2cc(Br)sc2Br)c1Br 1939883399 FYKMEAGHVOZDLP-MRVPVSSYSA-N 465.457 6.734 50 10 JKGE Cl[C@H](c1c(Br)sc(Br)c1Br)[C@H]1[C@H]2OCC[C@@H]21 1983250376 UNBMDMZYVWZPNX-VRKNYLKOSA-N 451.405 5.350 50 10 JKGE CCc1sc(Br)cc1[C@H](Cl)c1cc(Cl)ccc1I 2030220958 NJTSMRXPSFUUTP-CYBMUJFWSA-N 476.004 6.659 50 10 JKGE BrCC(CBr)(Cc1cnsc1)c1ccccc1Br 2036529291 FGPDRJIMGKUMCD-UHFFFAOYSA-N 454.025 5.176 50 10 JKGE Brc1cc([C@@H](Br)c2csc3c(Br)cccc23)ns1 2056492242 XGDBMDLZFGDDIB-NSHDSACASA-N 468.033 6.367 50 10 JKGE BrC[C@@H](Cc1cc(Br)sn1)Cc1ccccc1Br 2084085849 IKLGCWIIPGJOBV-SECBINFHSA-N 454.025 5.464 50 10 JKGE CCc1sc(Br)cc1[C@H](Cl)c1ccc(I)c(C)c1 2086019302 JLQBHWKQXCKQTJ-CQSZACIVSA-N 455.586 6.314 50 10 JKGE Cl[C@@H](c1cc(Br)c2c(c1)CCO2)c1csc(Br)c1Br 2093942177 MCSKTWDIRVNKCW-NSHDSACASA-N 487.438 6.299 50 10 JKGE Brc1ccc(CN2C[C@H]3[C@H](Br)CCC[C@H]3C2)c(Br)c1 2094581737 PTJDLQQYIJWZLI-ZLKJLUDKSA-N 452.028 5.207 50 10 JKGE CCc1ncc(COc2c(Br)cc(CBr)cc2Br)s1 2116350035 WWOXNVJNUNLJQE-UHFFFAOYSA-N 470.024 5.704 50 10 JKGE C[C@@H]1CC[C@@H](COc2c(Br)cc(Br)cc2CBr)OC1 2116417003 CVYLBPYHCHOWBB-SKDRFNHKSA-N 457.000 5.300 50 10 JKGE Cc1c(CBr)cc(Cl)cc1S(=O)(=O)N(Cc1ccccc1)[C@H](C)C(C)C 2123267329 FUIJUDOQAOJPQL-MRXNPFEDSA-N 458.849 5.779 50 10 JKGE Cc1csc([C@@H](Cl)c2c(C)c(Br)cc(C)c2Br)c1Br 2136366489 IOYWBPHXMMJXBP-ZDUSSCGKSA-N 487.482 7.289 50 10 JKGE Brc1ccc([C@H](Br)[C@]23CCCC[C@@H]2CCC3)c(Br)c1 2138862783 HCEYFSKTLWEUBP-RLCCDNCMSA-N 451.040 7.008 50 10 JKGE O=[N+]([O-])c1cc(Oc2ccc(Br)cc2CBr)ccc1Br 2146408282 MEKWQPKELQOTIZ-UHFFFAOYSA-N 465.923 5.807 50 10 JKGE Fc1cccc([C@H](Cl)c2cc(Br)c3c(c2)CCO3)c1I 2146627316 JJKMFQFGZCTGCA-CYBMUJFWSA-N 467.503 5.456 50 10 JKGE Cc1c(Br)cccc1[C@@H](Br)c1cc(Br)c2c(c1)CCO2 2146628307 NLVINQMQSXTGMR-HNNXBMFYSA-N 460.991 5.939 50 10 JKGE BrC[C@@H]1CN(c2ncc(Br)cc2Br)Cc2ccccc21 2176231130 YYPBDAXXABTPHO-LLVKDONJSA-N 460.995 5.105 50 10 JKGE CCOc1ccc([C@H](Br)c2cc(I)sn2)cc1OCC 2176541383 YRNYBTRPDKTMAY-AWEZNQCLSA-N 468.154 5.029 50 10 JKGE Fc1cc(Br)c(Br)cc1[C@@H](Cl)c1nscc1Br 2213491360 DHCXOSGPTRGBNU-SECBINFHSA-N 464.379 5.898 50 10 JKGE Cc1sc(Br)c(C)c1[C@H](Br)c1ccccc1I 2213638611 ZUYFFTIYDHMIKY-GFCCVEGCSA-N 486.010 6.216 50 10 JKGE CC[C@H](Br)CN(Cc1ccccc1)C(=O)c1ccc(OC)cc1Br 2217374463 CNXHFJFPRZLBCY-HNNXBMFYSA-N 455.190 5.274 50 10 JKGE CC(C)n1nc(Br)cc1C[C@@H](Br)c1ccc(Br)cc1 2224268956 HJHFDRDFZZRJJL-CYBMUJFWSA-N 451.000 5.668 50 10 JKGE Fc1cc(Br)c(Br)cc1[C@H](Br)C12CCC(CC1)OC2 2225615888 AOGMGCWESQPOSP-KQZUMFKRSA-N 456.975 5.746 50 10 JKGE Fc1cc(Br)c(Br)cc1[C@H](Br)C[C@@H]1CCC[C@H]2C[C@@H]12 2225619994 PMBUCYILNOOUPM-UXCLJVHYSA-N 455.003 6.613 50 10 JKGE Cc1c([C@@H](Br)Cc2ccc(Br)cc2Cl)c(Br)nn1C 2229141884 AEUCQHPEWADPAY-JTQLQIEISA-N 471.418 5.586 50 10 JKGE Cc1nsc(Br)c1[C@@H](Br)c1ccc2c(c1Br)CCO2 2229732720 BMAYTMMQPFZQCV-LBPRGKRZSA-N 468.008 5.396 50 10 JKGE Clc1cc(Cl)cc(C[C@@H](Cl)c2cc(Br)ccc2I)c1 2232146132 LMUXQFLCBQHVAW-CYBMUJFWSA-N 490.393 6.883 50 10 JKGE CCCN[C@@H](c1c(Br)cc(C)c(Br)c1C)[C@H]1C[C@@H](Br)C1 2235603763 KPNCMZXCQHTJOT-BFQNTYOBSA-N 468.071 6.043 50 10 JKGE Clc1cccc([C@H](Cl)c2sc(Br)cc2Br)c1Br 2248090400 GTJKLASIBGACQU-JTQLQIEISA-N 479.846 7.017 50 10 JKGE CCc1cc([C@@H](Br)c2ccc(Br)c(Cl)c2)sc1Br 2255987670 DDGKUKIXBQPSND-LBPRGKRZSA-N 473.455 6.973 50 10 JKGE Cc1cc(F)c(Br)cc1[C@@H](Br)c1sc(Cl)cc1Br 2258100910 CMRUBQLBRGJBPV-LLVKDONJSA-N 477.418 6.858 50 10 JKGE Clc1sc(Br)c(Cl)c1[C@@H](Br)c1ccc2scnc2c1 2278611879 UGEZNERTAYVNOT-VIFPVBQESA-N 458.027 6.911 50 10 JKGE Fc1cc(Br)c(F)c(Br)c1[C@@H](Br)C[C@@H]1CCCOCC1 2288373277 HJRWPJGJPKFDRC-BDAKNGLRSA-N 476.981 6.133 50 10 JKGE N#CC(C(=O)Nc1ccccc1)=C1S[C@H](Cc2ccc(F)cc2)C(=O)N1c1ccc(F)cc1 2293038893 FUCUVRXJXRHOPJ-JOCHJYFZSA-N 461.493 5.030 50 10 JKGE N#CC(C(=O)Nc1ccc(Cl)cc1)=C1S[C@H](Cc2ccccc2)C(=O)N1c1ccc(F)cc1 2293039120 DUTBBNPJXUJFSB-JOCHJYFZSA-N 477.948 5.544 50 10 JKGE COCc1cc(Br)c([C@@H](Br)c2ccc(C(F)(F)F)s2)s1 2295256646 OIJKABBDYSTNKJ-JTQLQIEISA-N 450.139 6.222 50 10 JKGE COc1ccc([C@H](Br)c2cc3sc(Br)cc3s2)c(Cl)c1 2295491998 DZHFYOYVGRJESM-AWEZNQCLSA-N 452.620 6.872 50 10 JKGE CCOC(=O)c1c(NC=C(C#N)c2nc(-c3ccc([N+](=O)[O-])cc3)cs2)sc(C)c1C 2296789980 GNDCIHGEHLYIRN-UHFFFAOYSA-N 454.533 5.550 50 10 JKGE Cc1cc([C@H](Br)c2ccc(OCc3ccccc3)cc2Br)c(C)o1 2299498445 UTNZVECLMATODP-HXUWFJFHSA-N 450.170 6.722 50 10 JKGE Brc1ccc(OCc2ccccc2)c([C@@H](Br)[C@@H]2CC3(CC3)CO2)c1 2299535181 MAQWKXLVQVOVFV-RBUKOAKNSA-N 452.186 6.033 50 10 JKGE COc1cc(CN(Cc2ccccc2)C2(CBr)CCC2)c(Br)cn1 2300088817 ACPOIZWYOOGCNB-UHFFFAOYSA-N 454.206 5.173 50 10 JKGE CCOc1cc(OCC)c(C=C(C#N)C(=O)Nc2cccc(Cl)c2Cl)cc1Br 2313570633 BLUMDPAQDURUSW-UHFFFAOYSA-N 484.177 6.099 50 10 JKGE N#CC(=Cc1ccc(-c2cccc(Br)c2)o1)C(=O)Nc1cccc(Cl)c1Cl 2313570720 DTSUAGZBCVWHHD-UHFFFAOYSA-N 462.130 6.562 50 10 JKGE N#CC(=Cc1ccc(OCc2ccc3c(c2)OCO3)cc1)C(=O)Nc1cccc(Cl)c1Cl 2313570860 HXFMKTYWWDFIQO-UHFFFAOYSA-N 467.308 5.847 50 10 JKGE Cc1nn(C)c(Br)c1[C@H](Cl)c1cc(Br)ccc1OCc1ccccc1 2314496012 XIHCJEFFGBQUDH-GOSISDBHSA-N 484.619 6.161 50 10 JKGE CCOc1ccc(N2C(=O)[C@@H](Cc3cccc(C)c3)SC2=C(C#N)C(=O)Nc2cccc(C)c2)cc1 2314592152 MPXMISDJQAJFNW-AREMUKBSSA-N 497.620 5.767 50 10 JKGE N#CC1=C(N)Oc2cc(OC(=O)C=Cc3ccc(Cl)cc3Cl)ccc2[C@@H]1c1cccc(Cl)c1 2314634149 RWZRTIIYEXAGII-DEOSSOPVSA-N 497.765 6.484 50 10 JKGE COc1cc(C=C(C#N)c2ccccc2)ccc1OC(=O)COc1ccc(C)cc1C(C)(C)C 2314717186 RJIZFJZUPJXCGQ-UHFFFAOYSA-N 455.554 6.350 50 10 JKGE Fc1c(Br)cc(Cl)c([C@H](Br)[C@H]2CC[C@H](F)C2)c1Br 2315439291 CLJXHDRQUJWUQC-JFWOZONXSA-N 467.373 6.578 50 10 JKGE Clc1cc(I)c([C@H](Br)c2ccc3c(c2)CCC3)s1 2316772003 UPFWDLGCHAAIJL-CYBMUJFWSA-N 453.570 5.979 50 10 JKGE COc1cc(C=C2Oc3c(ccc(OCc4cccc(CCl)c4)c3C)C2=O)cc(OC)c1OC 2325360452 GKOAFHLCGDTGCO-UHFFFAOYSA-N 480.944 5.955 50 10 JKGE C[C@H](C(O)=C(C#N)c1nc(-c2ccc3ccccc3c2)cs1)N1C(=O)c2ccccc2C1=O 2331237876 NZZWJANTYSJDCN-OAHLLOKOSA-N 451.507 5.441 50 10 JKGE COc1ccc(-c2csc(C(C#N)=C(O)Cc3ccc(OCc4ccccc4)cc3)n2)cc1OC 2331241478 OCAGCPKTYLZUEF-UHFFFAOYSA-N 484.577 6.442 50 10 JKGE CC(C)CN1C(=O)c2ccc(C(O)=C(C#N)c3nc(-c4ccc(Cl)cc4Cl)cs3)cc2C1=O 2331250542 AIPDGGQALVRZGS-UHFFFAOYSA-N 498.391 6.319 50 10 JKGE CC(C)(C)c1csc(C(C#N)=C(O)c2ccc3c(c2)C(=O)N(c2ccccc2Cl)C3=O)n1 2331306238 PKJVNLQSIWAUAP-UHFFFAOYSA-N 463.946 5.844 50 10 JKGE CCCCC1CCC(C(O)=C(C#N)c2nc(-c3cc(C(C)(C)C)ccc3OC)cs2)CC1 2331350918 DHWXICZPFQDENJ-UHFFFAOYSA-N 452.664 7.905 50 10 JKGE COc1cc(-c2csc(C(C#N)=C(O)CCCOc3ccccc3Cl)n2)c(OC)cc1Cl 2331377010 WLGQFXCBWBXOGI-UHFFFAOYSA-N 491.396 6.786 50 10 JKGE Cc1cc(C)c(-c2csc(C(C#N)=C(O)c3ccc4c(c3)C(=O)N(Cc3ccco3)C4=O)n2)c(C)c1 2331394741 SCQXTNDPLVIYKJ-UHFFFAOYSA-N 495.560 6.074 50 10 JKGE N#CC(=Cc1ccc(OCc2ccc(Cl)cc2)cc1)c1nc(-c2ccccc2Cl)cs1 2331430580 MDAWSNWWDWGCRN-UHFFFAOYSA-N 463.389 7.760 50 10 JKGE Cc1ccc(COc2ccc(C=C(C#N)c3nc(-c4cc(Cl)ccc4Cl)cs3)cc2)cc1 2331488726 SNRYRRGGWYSEGL-UHFFFAOYSA-N 477.416 8.069 50 10 JKGE Cc1cc(Br)c([C@@H](Br)[C@@H]2CC[C@@H]3C[C@H]2CO3)cc1Br 2334116020 TYJLZFDGQIBZBM-SQYUCLKFSA-N 453.012 5.771 50 10 JKGE CO[C@@H]1C[C@@H]([C@@H](Br)c2ccc(OCc3ccccc3)cc2Br)C12CCC2 2336085076 ZDCJDMAUEUCYSE-TYPHKJRUSA-N 480.240 6.669 50 10 JKGE FC(F)(F)c1ccc([C@H](Br)c2ccc(OCc3ccccc3)cc2Br)o1 2336085806 HDPZSMNOBCUVOI-GOSISDBHSA-N 490.113 7.124 50 10 JKGE COCCC1([C@H](Br)c2c(Cl)cc(Br)c(F)c2Br)CC1 2337084781 PQBUQIHELRXZIP-GFCCVEGCSA-N 479.409 6.257 50 10 JKGE Brc1cc(Br)cc(CO[C@@H]2C[C@@H](Br)C23CCCC3)c1 2337098847 PZUWXLYHDYDLJS-ZIAGYGMSSA-N 453.012 5.824 50 10 JKGE Cc1cc(Cl)c([C@@H](Br)c2c(Br)c(Br)nn2C)cc1C 2338721009 BCHSIMNEFKLQFZ-SNVBAGLBSA-N 471.418 5.700 50 10 JKGE Cc1cc(Br)c(F)c(Br)c1[C@@H](Br)[C@@H](C)CC(F)(F)F 2339676665 AELSAHQCFHVOND-RCOVLWMOSA-N 470.924 6.684 50 10 JKGE Cc1cc(Br)c(F)c(Br)c1[C@H](Br)[C@H]1CCC[C@@H](C)C1 2339679725 OHWRJRSLICWSEP-DFAYQTQMSA-N 457.019 6.921 50 10 JKGE CCC1(CC)[C@@H](OCc2ccc(Cl)cc2I)C[C@H]1Br 2340099627 ALPWOMVGCITEDZ-KGLIPLIRSA-N 457.577 5.803 50 10 JKGE C[C@@H]1CCC[C@](CBr)(Cc2ccc(Cl)cc2I)CC1 2341053427 XWDQVZLLCWHCGP-MLGOLLRUSA-N 455.605 6.469 50 10 JKGE CC(C)(C)C1CCC([C@H](Br)c2ccc(OCc3ccccc3)cc2Br)CC1 2361200670 LOVGSQRFLSEMCI-XWEVFREBSA-N 494.311 8.317 50 10 JKGE FC(F)Oc1ccccc1[C@@H](Cl)c1cc(Br)ccc1OCc1ccccc1 2361202024 YCUVYRQMHPMMMU-HXUWFJFHSA-N 453.710 6.958 50 10 JKGE ClC[C@H](Cc1ccc(Br)cc1)Cc1ccc(Cl)c(I)c1 2362378895 JQKWNHBDMOBABN-CYBMUJFWSA-N 484.002 6.347 50 10 JKGE COc1c(Br)cc(C)c([C@H](Br)[C@@]23CCOC[C@H]2C3)c1Br 2365220326 UZISUGITFSCNTD-TURNYIBQSA-N 469.011 5.391 50 10 JKGE Clc1ccc(CC2(CBr)CC3(C2)CC32CCC2)c(I)c1 2366713928 DFPFFIOMSYORHU-UHFFFAOYSA-N 465.600 6.223 50 10 JKGE O=C(CCC(=O)Nc1ccc(Br)cc1)N/N=C/c1cccc(Oc2ccccc2)c1 1959943 IULRXEOUHQDCED-PCLIKHOPSA-N 466.335 5.110 50 10 JKGE N#CC(C(=O)Nc1ccc(Cl)cc1)=C(SCc1ccccc1)SCc1ccccc1 3059063 XBVRMMLHOFCQLI-UHFFFAOYSA-N 451.016 6.880 50 10 JKGE C[C@@H](Oc1ccc(Br)cc1)C(=O)N/N=C/c1cn(-c2ccccc2)nc1-c1ccccc1 3080228 CDXKPMRSBMFKSK-AXNZHVIBSA-N 489.373 5.219 50 10 JKGE CC(C)(C)CC(=O)Nc1ccc(C(=O)N/N=C/c2cccc(OC(=O)CC(C)(C)C)c2)cc1 15775814 FOMGRCYFEHXHBO-WPWMEQJKSA-N 451.567 5.167 50 10 JKGE CCOc1cccc2cc(-c3csc(/C(C#N)=C/c4ccc(Br)cc4)n3)c(=O)oc12 33722392 JKIAGGUKAJAGOM-MHWRWJLKSA-N 479.355 6.142 50 10 JKGE Cc1ccc(NC(=O)/C(C#N)=C2/S[C@H](Cc3ccccc3Cl)C(=O)N2c2ccccc2C)cc1 33900685 ICNRSZRZGCHKME-RDKICWGTSA-N 488.012 6.022 50 10 JKGE CC(C)(C)c1ccc([C@H]2C[C@@H]2C(=O)N/N=C/c2ccc(-c3cccc(Br)c3)o2)cc1 33928191 YXCXWNFOMCGJQR-ODDWMBNNSA-N 465.391 6.260 50 10 JKGE CCCCSc1ccc(-c2nn(-c3ccccc3)cc2/C=C(\C#N)C(=O)N2CCCCC2)cc1 35445924 XNVHWDKXSAWDOC-FCDQGJHFSA-N 470.642 6.351 50 10 JKGE Cc1ccc(C(C)C)c(Oc2nc3ccccn3c(=O)c2/C=C(\C#N)c2nc3ccccc3[nH]2)c1 35549829 YDVISZAZNHJOBP-XDJHFCHBSA-N 461.525 5.859 50 10 JKGE CCCOc1ccc(-c2nn(-c3ccccc3)cc2/C=C2/C(=O)N(CC)C(=O)C(C#N)=C2C)cc1F 38603121 BPLQZHSFEWDWNG-HYARGMPZSA-N 484.531 5.079 50 10 JKGE CCCCOc1ccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)Cc4ccc(Cl)cc4)ccc32)cc1 38650879 MTPYZMBOQOMEDT-HHHXNRCGSA-N 488.971 5.885 50 10 JKGE CSc1ccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)COc4cc(C)cc(C)c4)ccc32)cc1 38682498 LNQJAGSPTBGURI-SANMLTNESA-N 472.566 5.228 50 10 JKGE Cc1ccc(Cl)cc1Nc1ncnc(NNC(=O)C(c2ccccc2)c2ccccc2)c1N 40705008 RXTBCIABGLEJPE-UHFFFAOYSA-N 458.953 5.039 50 10 JKGE Cc1ccccc1NC(=O)c1oc2c(c1C)/C(=N/NC(=O)C(c1ccccc1)c1ccccc1)CCC2 40815543 QICXFNHGEDOFHD-INKHBPHZSA-N 491.591 6.137 50 10 JKGE CCCCNC(=O)/C(C#N)=C/c1ccc(OC(=O)CCCOc2ccc(C)cc2Br)cc1 40992710 DFLFVHDPIMCGNG-CAPFRKAQSA-N 499.405 5.345 50 10 JKGE C=CCc1cc(/C=N\NC(=O)CC[C@H](O)c2ccccc2)ccc1OCc1ccc2ccccc2c1 58891858 NNOHQGHMCMJEEV-YJQDUFNZSA-N 478.592 6.111 50 10 JKGE COc1ccc(CNC(=O)/C(C#N)=C/c2ccccc2OCc2ccc(Cl)c(Cl)c2)cc1 59224981 NXRODNWXRZIDLV-DEDYPNTBSA-N 467.352 5.804 50 10 JKGE Fc1cc2c(cc1I)nc(CCl)n2Cc1cc(Br)cs1 97409333 FWNDKMDZUUCVGX-UHFFFAOYSA-N 485.547 5.391 50 10 JKGE CCC(=O)N1CCN(C(=O)/C(C#N)=C2/SC=C(c3ccc(C)cc3)N2c2cccc(Cl)c2)CC1 97637497 HMULRPBWARTCFW-XTCLZLMSSA-N 493.032 5.016 50 10 JKGE COc1ccc(/C=C/C(=O)Oc2ccc(/C=C(/C#N)c3ccc(Cl)cc3)cc2OC)c(OC)c1 98027919 MCMJACROGWKPHT-DOJIRPKPSA-N 475.928 6.049 50 10 JKGE CCCCCCCOc1ccc(C(=O)NNC(=O)COc2ccc(-c3ccccc3)cc2)cc1 100153770 YPEDVVCULFLLAC-UHFFFAOYSA-N 460.574 5.543 50 10 JKGE CC1(C)C=C(C(Br)Br)c2ccccc2N1C(=O)c1ccc([N+](=O)[O-])cc1 105418777 HIVLCFIQFQWYMX-UHFFFAOYSA-N 480.156 5.533 50 10 JKGE Brc1ccccc1[C@@H](Br)c1cc2c(cc1Br)OCCO2 109865744 HKNFVIISIYGONP-OAHLLOKOSA-N 462.963 5.467 50 10 JKGE O=c1[nH]c2cc(Br)c([C@H](Br)c3c(Cl)cccc3Cl)cc2[nH]1 109884313 YGVIQBMJSFKBNF-ZDUSSCGKSA-N 450.945 5.410 50 10 JKGE COc1c(C)cc(Br)c(C)c1[C@@H](Br)c1cccc(Br)c1 125684409 LKJMGCFKHONDMY-HNNXBMFYSA-N 463.007 6.321 50 10 JKGE Fc1cccc([C@H](Cl)c2cc(Br)sc2Br)c1Br 156084195 LBZLIXXBNUOVAK-JTQLQIEISA-N 463.391 6.503 50 10 JKGE COc1cc(/C=C(/C#N)C(=O)NCc2ccccc2)ccc1OC(=O)COc1ccccc1C(C)C 206399538 DWZVDVLFJYMZBK-HAHDFKILSA-N 484.552 5.026 50 10 JKGE O=C(CCCCCCC(=O)N/N=C\c1ccc(N(c2ccccc2)c2ccccc2)cc1)NO 209463415 KXWWYFKVBFUVIZ-HFTWOUSFSA-N 458.562 5.453 50 10 JKGE COc1ccc(NC(=O)/C(C#N)=C\Nc2cc(C(F)(F)F)cc(C(F)(F)F)c2)cc1Cl 217141034 XFAJSIVQQUCWRD-KTKRTIGZSA-N 463.765 5.844 50 10 JKGE COc1ccc([C@@H](Cl)c2cccc(I)c2)c(OC)c1Br 224841980 ZXQMDYDULYPYAT-AWEZNQCLSA-N 467.528 5.399 50 10 JKGE CCC[C@@H](CCBr)CNC(=O)c1cc(Br)ccc1Br 227502713 JDJIXMFOPDYTFY-JTQLQIEISA-N 456.016 5.143 50 10 JKGE Brc1cc(Br)cc([C@@H](Br)c2ccc3c(c2)OCCO3)c1 232484755 RANSSKQQLKSEDC-HNNXBMFYSA-N 462.963 5.467 50 10 JKGE COc1ccc(F)cc1[C@H](Br)c1cc(Br)cc(Br)c1 234851535 LFPVYJFJSQDTSD-CQSZACIVSA-N 452.943 5.844 50 10 JKGE Cc1ccc([C@H](Br)c2cc(I)ccc2Br)cc1C 235910740 FRQIDBREWKNILY-HNNXBMFYSA-N 479.981 6.155 50 10 JKGE COc1ccc(C(=O)NN=Cc2ccc(N3N=C(c4ccccc4)C[C@H]3c3ccccc3)cc2)cc1 254734460 VITTZIIAFNWYID-LJAQVGFWSA-N 474.564 5.815 50 10 JKGE CCOc1ccc(-n2c(SCC(=O)NN=C/C(C)=C/c3ccccc3)nnc2-c2ccccc2)cc1 254833349 NRSZIOPFLQWCRF-ZEWPQOSUSA-N 497.624 5.631 50 10 JKGE FC1(F)CC[C@H](COc2c(Br)cc(CBr)cc2Br)C1 311159179 ILSSCKLZSYVLGI-QMMMGPOBSA-N 462.954 5.921 50 10 JKGE O=C(OCc1ccccc1)N1C[C@@H](CBr)[C@H](c2ccc(Br)cc2Cl)C1 382725697 QBHNIGXJPJOAGX-RHSMWYFYSA-N 487.619 5.850 50 10 JKGE Fc1cc(Br)c([C@H](Cl)c2ccc(I)cc2)c(F)c1F 398525011 PEWFCJHLLXIWFA-LLVKDONJSA-N 461.446 5.799 50 10 JKGE C[C@H](CC(F)F)CC(CBr)(CBr)c1cccc(Br)c1 687830592 GRLVSUBZGXCFQM-SNVBAGLBSA-N 462.998 6.158 50 10 JKGE Cl[C@@H](c1ccc(I)cc1)c1cc(Br)cc2c1OCCC2 688411698 MKEMUUZYSBUNJF-HNNXBMFYSA-N 463.540 5.707 50 10 JKGE BrCC(CBr)(Cc1ccc(Br)s1)C1CCCCCC1 699948135 SDGUBNYCOFOANF-UHFFFAOYSA-N 473.112 6.800 50 10 JKGE Fc1cc(Cl)cc([C@H](Br)c2cc(Br)ccc2Br)c1F 709209565 CWMDZVZXBUMXBF-GFCCVEGCSA-N 475.352 6.628 50 10 JKGE C[C@@H](Cl)c1nc2cc(I)ccc2n1C[C@H](C1CC1)N(C)Cc1ccccc1 718000271 YVQMLNKFVORRPU-QVKFZJNVSA-N 493.820 5.851 50 10 JKGE Cc1cc(Cl)c([C@H](Cl)c2ccc(I)c(Br)c2)cc1C 721604456 PSIQQGSIPVQPRV-OAHLLOKOSA-N 469.975 6.652 50 10 JKGE Cc1sc([C@H](Br)c2c(F)cc(Br)cc2F)c(C)c1Br 724916211 UYFZAVWBCSYUSX-GFCCVEGCSA-N 474.990 6.652 50 10 JKGE COc1cc(/C=C\C(=O)Cl)cc(I)c1OCc1ccc(Cl)cc1Cl 1081475943 UGSOKKDNIAVYIY-DJWKRKHSSA-N 497.543 5.964 50 10 JKGE COc1cc(/C=C(\C#N)C(=O)Nc2ccccc2Cl)ccc1OCc1cccc(C(=O)O)c1 1083975931 YTKVSJMJALJRKJ-YBFXNURJSA-N 462.889 5.171 50 10 JKGE C=CCc1cc(/C=C(\C#N)C(=O)N(C)C)cc(Br)c1OCc1ccc(Cl)c(Cl)c1 1084071529 ULCJGXLTSPYLSO-RQZCQDPDSA-N 494.216 6.059 50 10 JKGE COc1cc(C=NNC(=O)c2ccncc2)cc(Cl)c1OCc1ccc(Cl)cc1Cl 1084225594 OFXFSIFAIQKLCZ-UHFFFAOYSA-N 464.736 5.393 50 10 JKGE Cc1ccc(OCC(=O)NN=C2C(=O)N(Cc3cccc4ccccc34)c3ccccc32)cc1Cl 1084401763 APAOGEZVLUMONT-UHFFFAOYSA-N 483.955 5.248 50 10 JKGE O=C(NN=Cc1cn(-c2ccccc2)nc1-c1ccc(Cl)cc1)c1cccc(Br)c1 1084436272 WTONWUCZXWWPAK-UHFFFAOYSA-N 479.765 5.719 50 10 JKGE CCOP(=O)(OCC)/C(C#N)=C\[C@@H]1[C@@H](C(=O)OCc2cccc(Oc3ccccc3)c2)C1(C)C 1614949777 NTKWPTWFPNTXBE-CXIHKCPXSA-N 483.501 6.468 50 10 JKGE Cc1cc(Cl)ccc1NC(=O)c1oc2c(c1C)C(=NNC(=O)c1ccc(F)cc1)CCC2 1772744798 JWWPIOTZCAGHQR-UHFFFAOYSA-N 453.901 5.412 50 10 JKGE Cc1cc(C)c2c(CC(=O)NN=C3CCCc4oc(C(=O)NNc5ccccc5)c(C)c43)coc2c1 1772752137 VNMVDKPTHJZWFQ-UHFFFAOYSA-N 484.556 5.107 50 10 JKGE O=C(CSc1nc(-c2ccc(Cl)cc2)cs1)NN=Cc1ccc(Br)cc1 1772755164 RCRHDQVFRJGTNA-UHFFFAOYSA-N 466.813 5.468 50 10 JKGE COc1cc(C=NNC(=O)[C@@H](C)Oc2cc(C)c(Cl)c(C)c2)ccc1OCCc1ccccc1 1772756262 QRPHHPBKHJTMLK-HXUWFJFHSA-N 480.992 5.505 50 10 JKGE N#CC1=C(N)Oc2c(c(C(F)(F)F)nn2-c2ccc(Cl)cc2)[C@H]1c1ccc(Cl)cc1 1865683894 PRWHJKZQHITYGS-HNNXBMFYSA-N 451.235 5.416 50 10 JKGE N#CC1=C(N)Oc2c(c(-c3ccccc3)nn2Cc2ccc(F)cc2)[C@@H]1c1ccc(Cl)c(Cl)c1 1865686571 XVGVWGVBQVZWJB-JOCHJYFZSA-N 491.353 6.262 50 10 JKGE Cc1nn(CC(C)C)c2c1[C@H](c1c(OCc3ccccc3)ccc3ccccc13)C(C#N)=C(N)O2 1865703800 GBHIYRRFHFLISW-HHHXNRCGSA-N 464.569 5.798 50 10 JKGE CCOc1cc(/C=N\NC(=O)c2ccc(-c3ccc(Cl)c(Cl)c3)nc2C)ccc1OC 1865762472 IHPOHUJBAUDFCL-ZMFRSBBQSA-N 458.345 5.535 50 10 JKGE Cc1ccc(N2C(=O)c3ccc(/C(O)=C(\C#N)c4nc(C(C)(C)C)cs4)cc3C2=O)c(C)c1 1872747630 MSPGMTNZLZRMOG-QOCHGBHMSA-N 457.555 5.808 50 10 JKGE N#C/C(=C(/O)c1ccccc1I)c1nc(-c2ccc(Cl)cc2)cs1 1872748281 QOVIGQYRMVAMIO-VKAVYKQESA-N 464.715 6.018 50 10 JKGE Cc1ccc(OC/C(O)=C(\C#N)c2nc(-c3ccc4c(c3)OCCO4)cs2)c(C(C)(C)C)c1 1872751273 ZNODSDFXOWMCNG-UZYVYHOESA-N 462.571 6.059 50 10 JKGE N#C/C(=C(/O)c1ccc2c(c1)C(=O)N(Cc1ccco1)C2=O)c1nc(-c2c[nH]c3ccccc23)cs1 1872751303 AWSFSKZTTJBJFZ-GFMRDNFCSA-N 492.516 5.630 50 10 JKGE COc1ccc(C(C)(C)C)cc1-c1csc(/C(C#N)=C(O)/C=C/c2cccc([N+](=O)[O-])c2)n1 1872751585 ODFIUANPZGCUSJ-NEUFDEOWSA-N 461.543 6.530 50 10 JKGE CCOc1ccc(-c2csc(/C(C#N)=C(\O)c3ccc(-c4ccccc4)cc3)n2)c(OCC)c1 1872755544 SGFDEKWZMNEDKG-PNHLSOANSA-N 468.578 7.224 50 10 JKGE COc1ccc(C)cc1-c1csc(/C(C#N)=C/c2ccccc2OCc2ccc(Cl)cc2)n1 1872791939 YQUXEZVGSOEWHD-KGENOOAVSA-N 472.997 7.424 50 10 JKGE CCN(CC)c1ccc(/C=C(\C#N)c2nc(-c3cc(OC)c(Cl)cc3OC)cs2)cc1 1872793585 IMNPRCRAHZZCSG-GZTJUZNOSA-N 453.995 6.391 50 10 JKGE N#C/C(=C(O)\C=C\c1ccc([N+](=O)[O-])cc1)c1nc(-c2ccc(-c3ccccc3)cc2)cs1 1873940742 FLWDSLAFEZTWEF-QYKYIQPMSA-N 451.507 6.891 50 10 JKGE CCCCc1ccc(N2C[C@@H](/C(O)=C(\C#N)c3nc(-c4ccc5ccccc5c4)cs3)CC2=O)cc1 1873940960 PKQXDFBCTMRLHM-OWGOKANHSA-N 493.632 7.152 50 10 JKGE Cc1cc(Br)c([C@@H](Br)C2CC(OC(C)(C)C)C2)cc1Br 1913999430 RKOUIFLHPCUGFN-NWHVRFAMSA-N 469.055 6.550 50 10 JKGE Cl[C@H](c1ccsc1Br)c1sc(Br)cc1Br 1922897333 MRWPJKYFMKDAMJ-SSDOTTSWSA-N 451.430 6.425 50 10 JKGE Clc1c(Br)sc(Br)c1[C@H](Br)[C@@]12CCCC[C@H]1C2 1923038193 HQFQTZXXLLARGT-ZKQGETEISA-N 463.460 6.943 50 10 JKGE Cc1ccccc1[C@H](Br)c1c(Br)sc(Br)c1Cl 1923073449 WYYZPARQFZXRGH-VIFPVBQESA-N 459.428 6.719 50 10 JKGE C[C@@H](CC(C)(C)C)[C@H](Cl)c1c(Br)sc(Br)c1Br 1924613050 PUOIFMMLOXOVGA-RCOVLWMOSA-N 467.492 7.388 50 10 JKGE Cc1sc(Br)cc1[C@@H](Br)c1cscc1OCc1ccccc1 1934839828 RAIFPWABPLBNNM-QGZVFWFLSA-N 458.240 6.944 50 10 JKGE FC1(F)[C@H]([C@H](Br)c2cc(Br)c(Br)s2)C12CCC2 1944839660 LYHNVCDAHNABIT-HTQZYQBOSA-N 450.968 6.145 50 10 JKGE Cc1nc([C@H](Br)c2c(Cl)sc(Cl)c2Cl)c(Br)s1 2003568897 LKDOHJQUWGJYTJ-SCSAIBSYSA-N 456.439 6.720 50 10 JKGE Cc1cc(Br)sc1[C@@H](Br)c1cc(I)ccc1F 2003650365 UTNWSGSISUOXTO-NSHDSACASA-N 489.973 6.047 50 10 JKGE Cc1cc(C=C(C#N)c2nnc(N3CCOCC3)n2-c2ccccc2)c(C)n1-c1cccc(Cl)c1 2040448344 MOQLMGJWVBAUPJ-UHFFFAOYSA-N 484.991 5.229 50 10 JKGE Cc1c(Br)sc([C@H](Br)[C@@H]2CCCC23CCC3)c1Br 2053378661 SHYVUKCGEOQMPU-GXSJLCMTSA-N 457.069 6.988 50 10 JKGE CCO[C@@H]1CC[C@@H]([C@@H](Cl)c2c(Br)sc(Br)c2Br)C1 2054501551 YWTMCORYJLUKMT-BRDIYROLSA-N 481.475 6.521 50 10 JKGE CC1(C)OCCO[C@@H]1[C@H](Cl)c1c(Br)sc(Br)c1Br 2066675568 UWBGMFFNAVFLKA-HTQZYQBOSA-N 483.447 5.510 50 10 JKGE Fc1cc(Br)c([C@@H](Br)c2sccc2Br)c(F)c1Cl 2081842664 DLFKUSOTHGMCCQ-MRVPVSSYSA-N 481.381 6.689 50 10 JKGE C[C@@H]1CCC[C@](CBr)(NC(=O)c2csc(Br)c2Br)C1 2093944595 MQIMUZFAWHHZJF-OQPBUACISA-N 474.056 5.347 50 10 JKGE Fc1cc([C@@H](Cl)c2c(Br)cccc2Br)c(F)cc1Br 2094090113 DIPPYCMKSGQRKK-CYBMUJFWSA-N 475.352 6.581 50 10 JKGE ClCc1ccc(OCc2c(Br)cccc2Br)c(Br)c1 2094091509 UUSKIHDULMWSJY-UHFFFAOYSA-N 469.398 6.292 50 10 JKGE C[C@@H](CN(C)Cc1ccccc1)n1c([C@@H](C)Cl)nc2cc(Cl)c(Br)cc21 2112691098 OCGCNXMGIUNCGA-UONOGXRCSA-N 455.227 6.445 50 10 JKGE Cc1cc(Br)c([C@@H](Br)[C@H]2CCCC23CCC3)cc1Br 2116995277 LUGUEJFWFLXOTE-IUODEOHRSA-N 451.040 6.926 50 10 JKGE Cc1c(Br)sc([C@@H](Br)c2cc3c(ncn3C)s2)c1Br 2118608026 ANFBZPCQHCLHPZ-VIFPVBQESA-N 485.064 6.014 50 10 JKGE CO[C@H]1CC[C@H]1CCOc1c(Br)cc(CBr)cc1Br 2130344044 FFAVCJIYNKTOKK-GWCFXTLKSA-N 457.000 5.300 50 10 JKGE Cc1cc(Br)c(C)c([C@@H](Br)C2CCCCCC2)c1Br 2136378865 GHEAXNIRHGNYKK-INIZCTEOSA-N 453.056 7.235 50 10 JKGE Cc1cc(Cl)c(Br)cc1[C@H](Br)c1ccc(Br)cc1Cl 2137641979 GRBCCTFOYGJHBQ-CQSZACIVSA-N 487.844 7.311 50 10 JKGE COC1CC(CC[C@H](Br)c2ccc(Br)c(C)c2Br)C1 2138871908 PVASKSRRVHRWEP-MGULZYLOSA-N 455.028 6.161 50 10 JKGE CC1(C)CCC[C@@]1(CBr)NC(=O)c1cccc(Br)c1Br 2150554077 DHSHXQKZTVDNAD-HNNXBMFYSA-N 468.027 5.285 50 10 JKGE C[C@]1(Cn2c(CCl)nc3cc(Br)c(Cl)cc32)CCCN1Cc1ccccc1 2159872262 RZHLSJFNWXSOIS-OAQYLSRUSA-N 467.238 6.246 50 10 JKGE Cc1nc([C@H](Br)c2cc(Br)c3c(c2)C[C@@H](C)O3)c(Br)s1 2169493825 FEXLDVZYXDAZKT-KSBSHMNSSA-N 482.035 5.784 50 10 JKGE Cc1c(Cl)cc(CC[C@H](Br)c2ccc(Br)cc2)cc1Br 2169788470 BPFOIUTXIIAFCE-AWEZNQCLSA-N 481.453 7.242 50 10 JKGE CN(C(=O)c1cccc(Br)c1Br)[C@H]1CCCCC[C@@H]1Br 2172543339 KGFNTKWLMWRJCM-AAEUAGOBSA-N 468.027 5.380 50 10 JKGE FC(F)(F)c1cc(Cl)cc([C@@H](Br)c2sc(Cl)cc2Br)c1 2200838318 OCJHSIQJIFCADO-SNVBAGLBSA-N 468.947 7.321 50 10 JKGE Cc1cc(Br)c([C@H](Br)c2c(C)sc(Br)c2C)s1 2215944715 MLRPVDWKNBZFCE-SNVBAGLBSA-N 459.066 6.744 50 10 JKGE COc1ccsc1[C@H](Br)c1cc(Br)c(Br)cc1F 2218598496 TZXWUUUPTINUPD-LLVKDONJSA-N 458.972 5.905 50 10 JKGE Cc1c(F)ccc([C@H](Br)c2cc(Br)sc2Br)c1F 2223262182 AFHRLHJDSIYTDQ-JTQLQIEISA-N 460.963 6.344 50 10 JKGE CC(F)(F)CCC[C@H](Br)c1c(Br)cc(Cl)c(Cl)c1Cl 2224317580 PCSPIFOCEYGTHB-LURJTMIESA-N 459.383 7.671 50 10 JKGE Brc1c([C@H](Br)c2ccccc2I)ccc2c1CCO2 2229742462 SXVDUWVTAYDLKC-CQSZACIVSA-N 493.964 5.473 50 10 JKGE Cc1cc(Cl)c(Br)cc1[C@H](Cl)Cc1ccc(Br)cc1Cl 2237459255 YNBXPKWRINHKOT-CQSZACIVSA-N 457.420 7.349 50 10 JKGE BrC[C@@]12CCCC[C@@H]1CN(Cc1ccc(Br)cc1Br)C2 2238822169 BHKGWEOUZCPDMH-CZUORRHYSA-N 466.055 5.599 50 10 JKGE C[C@@H]([C@@H](Br)c1c(F)cc(Br)c(F)c1Br)C(C)(F)F 2260072771 CRPXUBRZPMLTOI-RNHFCUEFSA-N 456.897 6.217 50 10 JKGE C[C@@H]1CC[C@@H](C[C@H](Br)c2c(F)cc(Br)c(F)c2Br)O1 2272724232 OBCOAUGQKDXRKX-CSMHCCOUSA-N 462.954 5.883 50 10 JKGE Cc1c(Br)sc([C@@H](Br)c2ccc3scnc3c2)c1Br 2278610520 DKLQUAMDMCURMG-NSHDSACASA-N 482.060 6.676 50 10 JKGE COc1cc(Cl)c([C@@H](Br)c2cccc(Cl)c2Br)cc1Cl 2283202584 RCROSRVPCFGYMU-ZDUSSCGKSA-N 459.392 6.902 50 10 JKGE CCCCc1ccc([C@@H](Br)c2ccc(Cl)c(I)c2)cc1 2283582636 KOYAMUKCFRVECK-QGZVFWFLSA-N 463.584 6.772 50 10 JKGE Fc1cc(Br)c(F)c(Br)c1[C@H](Br)[C@]12COC[C@@H]1C2(F)F 2288480179 GLJCORIEMDACCV-CYUDJLOBSA-N 482.891 5.208 50 10 JKGE CC(C)(C)c1ccc(OCCOc2ccc(C=C(C#N)C(=O)Nc3nc4ccccc4s3)cc2)cc1 2295225571 SKCREQGHVNZHHA-UHFFFAOYSA-N 497.620 6.597 50 10 JKGE COc1ccc([C@@H](Br)c2cc(Br)sc2Br)c(OC)c1C 2295418066 BSXBYOIBYURLBI-GFCCVEGCSA-N 485.035 6.083 50 10 JKGE COc1cc(OC)c([C@@H](Cl)c2ccccc2I)cc1Br 2295425443 GRWABROCFFTHEP-HNNXBMFYSA-N 467.528 5.399 50 10 JKGE C=CCNC(=O)C(C#N)=Cc1cn(-c2ccccc2)nc1-c1ccc(OCc2ccccc2F)cc1 2296705981 GPPRRQJKZGXHGU-UHFFFAOYSA-N 478.527 5.467 50 10 JKGE CCCCOc1ccc(NC=C(C#N)c2nc(-c3ccc(Br)cc3)cs2)cc1 2296751909 OBGIZNMNNNSJSX-UHFFFAOYSA-N 454.393 6.728 50 10 JKGE Cc1ccc(C(=O)CC(=CC(=C(C#N)c2ccc([N+](=O)[O-])cc2)c2ccc(C)cc2)c2ccccc2)cc1 2297534457 MUOCNSAJVLIYMM-UHFFFAOYSA-N 498.582 8.003 50 10 JKGE N#CC(=Cc1ccc(OCc2ccccc2)c(Br)c1)C(=O)Nc1cc([N+](=O)[O-])ccc1F 2297551668 YEGBQQPHSJAYRA-UHFFFAOYSA-N 496.292 5.621 50 10 JKGE Cc1cccc(COc2ccccc2C=C(C#N)C(=O)Nc2nc(-c3ccccc3)cs2)c1 2297616731 KSHWUAMDMRVDOX-UHFFFAOYSA-N 451.551 6.243 50 10 JKGE COCc1cc(Br)c([C@H](Br)c2cnsc2Br)s1 2300305364 TZEDXPHNQYRMHY-MRVPVSSYSA-N 462.026 5.360 50 10 JKGE Cc1scc([C@H](Cl)c2cc(Br)ccc2OCc2ccccc2)c1Br 2303643964 LRFVCKPKPDNPHJ-LJQANCHMSA-N 486.656 7.489 50 10 JKGE COc1cc(C=C(C#N)C(=O)Nc2sc3c(c2C#N)CCCC3)ccc1OCc1ccc(C)cc1 2313630419 LPAKPSQRCMQFCB-UHFFFAOYSA-N 483.593 5.940 50 10 JKGE FC(F)[C@@H]1CCC[C@H]1[C@H](Br)c1cc(Br)ccc1OCc1ccccc1 2314441914 CYDGTLMPEAFXCP-MDZRGWNJSA-N 474.183 7.146 50 10 JKGE N#CC(=Cc1ccc(-c2ccc(Cl)cc2Cl)o1)C(=O)Nc1sc2c(c1C(N)=O)CCCC2 2314571227 CEGHOCIFYSSFNT-UHFFFAOYSA-N 486.380 5.838 50 10 JKGE CCCCCCCOc1ccc(C=C2C(=O)N(C3CCCC3)C(=O)C(C#N)=C2C)cc1OCC 2314616819 KKPXXVLBKWBQHK-UHFFFAOYSA-N 464.606 5.969 50 10 JKGE C=CCOc1ccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)C=Cc4ccc(C)cc4)ccc32)cc1 2314634660 UKQSCAUDCDPOKM-NDEPHWFRSA-N 464.521 5.397 50 10 JKGE Fc1c(Br)cc(Cl)c([C@H](Br)c2csc(Cl)c2)c1Br 2315436163 KRSBLXVVGBSRRO-SECBINFHSA-N 497.836 7.203 50 10 JKGE FC1(F)CC2(CC([C@H](Br)c3sc(Cl)cc3I)C2)C1 2316607980 XFSLHFCXIPLSJX-VIFPVBQESA-N 467.544 6.268 50 10 JKGE CN(CC[C@@H](Br)c1cccs1)Cc1sccc1I 2318213216 LQSVRYHBMGFMBT-SNVBAGLBSA-N 456.212 5.372 50 10 JKGE COc1ncc(Br)c(C)c1CN(Cc1ccccc1)[C@@H](CBr)C1CC1 2319570958 GFPWUPOGMYQUPK-IBGZPJMESA-N 468.233 5.337 50 10 JKGE C[C@@H](C(O)=C(C#N)c1nc(-c2ccc3c(c2)CCCC3)cs1)N1C(=O)c2ccccc2C1=O 2331240024 HOPVEPNETDHDDY-HNNXBMFYSA-N 455.539 5.166 50 10 JKGE CSCC[C@H](C(O)=C(C#N)c1nc(-c2ccc(Cl)cc2)cs1)N1C(=O)c2ccccc2C1=O 2331300519 NGJYUMAIXCUPQC-HXUWFJFHSA-N 496.013 5.674 50 10 JKGE COc1cc(OC)c(-c2csc(C(C#N)=C(O)c3ccc4nc(C)c(C)nc4c3)n2)cc1Cl 2331381089 HIOLSGIZQJYQSG-UHFFFAOYSA-N 478.961 5.991 50 10 JKGE CCc1cccc(C)c1N1C[C@H](C(O)=C(C#N)c2nc(-c3cc(C(C)(C)C)ccc3C)cs2)CC1=O 2331396372 RSUMSTKDVNALSW-OAQYLSRUSA-N 499.680 7.133 50 10 JKGE Cc1c(Br)ccc([C@@H](Br)[C@H]2CC[C@@H]3[C@H]2C3(F)F)c1Br 2333145724 BMAWVRWMJQWGQR-PYEWSOSRSA-N 458.966 6.247 50 10 JKGE Cc1cc(Br)c([C@@H](Br)[C@H]2OC[C@@H]3CCC[C@H]23)cc1Br 2333513827 CZVOZFLEESIISK-MISXLKTNSA-N 453.012 5.771 50 10 JKGE Cc1cc(Br)c([C@@H](Br)[C@@H]2C[C@@H]3CC[C@H]2C3)c(C)c1Br 2334326282 XNLXNAGJEJSBHH-JBBSTSQOSA-N 451.040 6.701 50 10 JKGE FC(F)(F)c1cc([C@@H](Cl)c2ccc(OCc3ccccc3)cc2Br)cs1 2336052925 FIKLTWCAKJHTES-GOSISDBHSA-N 461.730 7.437 50 10 JKGE Cc1csc([C@@H](Br)c2c(Cl)cc(Br)c(F)c2Br)c1C 2337094728 SDHAFUFWYLARSZ-NSHDSACASA-N 491.445 7.167 50 10 JKGE CC1(C)CC[C@@H](Br)[C@@H](Cc2ccc(Cl)c(I)c2)CC1 2337278657 IYWISNPLEDWIFB-CHWSQXEVSA-N 455.605 6.467 50 10 JKGE Cn1cnc(Br)c1[C@H](Br)c1scc(C(F)(F)F)c1Br 2337330705 SDZPKTGUBZGWPF-LURJTMIESA-N 482.945 5.510 50 10 JKGE CCCc1sc(Br)cc1[C@H](Cl)c1c(Br)c(Br)nn1C 2338695285 VEGDUZLPFDASET-JTQLQIEISA-N 491.474 6.050 50 10 JKGE CCCCCC[C@@H](Br)c1c(C)cc(Br)c(OC)c1Br 2339639334 LDOHFNIZVKETIG-LLVKDONJSA-N 457.044 6.935 50 10 JKGE Cc1c(Br)sc([C@@H](Br)c2cccc(C(C)C)c2)c1Br 2343658648 ZVYNGTOJTXIRIV-ZDUSSCGKSA-N 467.064 7.189 50 10 JKGE Cc1scc(CN(C)c2ccc(Br)cc2CBr)c1Br 2343703997 CRLLRZTYLIHEFP-UHFFFAOYSA-N 468.052 6.113 50 10 JKGE Clc1ccc(I)cc1CN1C[C@H](Br)C2(CCCC2)C1 2352414780 YIZOUZFDTWKRCU-AWEZNQCLSA-N 454.577 5.084 50 10 JKGE Clc1ccc(CN2CC[C@@H]3[C@@H](Br)CCC[C@H]3C2)cc1I 2362374401 YIPIQICFLRWUAC-IHRRRGAJSA-N 468.604 5.330 50 10 JKGE CCC(F)(F)C(C)(C)[C@H](Br)c1c(C)cc(Br)c(F)c1Br 2365220350 VLRXRCASDHULCP-GFCCVEGCSA-N 480.988 7.167 50 10 JKGE Cc1scc([C@H](Br)c2cc3c(cc2Br)OCCO3)c1Br 2369584098 APHRQQNFEKJTAL-CQSZACIVSA-N 483.019 5.837 50 10 JKGE ClC1CCC([C@@H]2CCN(c3ncc(I)cc3Br)C2)CC1 2381237180 RWKLVVINXHUOEW-MOENNCHZSA-N 469.592 5.073 50 10 JKGE CCc1cc(Br)c(OC)c([C@H](Br)c2cc(C)c(Br)s2)c1 2381251737 KLQJFXIOIOIGNB-ZDUSSCGKSA-N 483.063 6.637 50 10 JKGE CC(C)CCOc1ccccc1C(=O)NNC(=O)COc1ccc(C(C)(C)C)cc1Br 14033752 BXPSNYDFUAKIQU-UHFFFAOYSA-N 491.426 5.012 50 10 JKGE CCOC(=O)c1c(NC(=O)/C(C#N)=C/c2cn(Cc3ccccc3)c3ccccc23)sc(C)c1C 14151563 IRLPBHPBYZWQOT-KGENOOAVSA-N 483.593 6.090 50 10 JKGE COc1cc(/C=C(/C#N)C(=O)Nc2cc(C)cc(C)c2)ccc1OCc1ccc(C(=O)O)cc1 33305136 ZMLYQUFSBYFPQY-XKZIYDEJSA-N 456.498 5.135 50 10 JKGE Cc1ccc(CCN(C(=O)CCl)[C@H](C(=O)N[C@@H]2CCC[C@H](C)[C@H]2C)c2ccc(F)cc2)cc1 33430060 ZFQCSMFPQUUXPQ-MTVZRYLYSA-N 473.032 5.426 50 10 JKGE CC(C)Oc1ccccc1/C=C(/C#N)C(=O)Nc1ncc(Cc2ccc(Cl)c(Cl)c2)s1 33445150 DEATYYNYIYBQAJ-BOPFTXTBSA-N 472.397 6.374 50 10 JKGE Cc1nn(-c2ccccc2)c(N2CCCC2)c1/C=C(/C#N)C(=O)Nc1cc(Cl)cc(Cl)c1 33541897 QTEYQNILSRKUQH-BOPFTXTBSA-N 466.372 5.633 50 10 JKGE C=CCN1C(=O)C(C#N)=C(C)/C(=C\c2cn(-c3ccccc3)nc2-c2ccc(OCCC)cc2)C1=O 38607623 DOJZIKVSXSPWLJ-KOEQRZSOSA-N 478.552 5.106 50 10 JKGE Cc1ccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)[C@H](C)Oc4ccc(C(C)C)cc4)ccc32)o1 38659371 CRAFMSICPNLNGL-GKVSMKOHSA-N 458.514 5.303 50 10 JKGE Cc1cccc(Oc2nc3c(C)cccn3c(=O)c2/C=C(/C#N)C(=O)Nc2ccccc2Cl)c1C 39858814 CTLFTQNKBIJKAC-RGEXLXHISA-N 484.943 5.611 50 10 JKGE N#Cc1ccccc1COc1ccc(Br)cc1/C=N/NC(=O)c1cc2ccccc2o1 59304406 WUFJIKKTVTXILJ-MZJWZYIUSA-N 474.314 5.410 50 10 JKGE CCOc1cc(/C=C(/C#N)C(=O)Nc2ccc(C)cc2)ccc1OCc1ccc2ccccc2c1 59335417 QPTCTNQIGYPESZ-QQXSKIMKSA-N 462.549 6.672 50 10 JKGE CCc1cccc(C)c1N/C(SCc1cccc(F)c1)=C(\C#N)S(=O)(=O)c1ccccc1 104689341 YFGMPTMJCRSDJH-BZZOAKBMSA-N 466.603 6.208 50 10 JKGE COc1cc(Br)c([C@H](Br)c2ccc(Br)s2)cc1OC 109860122 NRZOZMCSNAAGEZ-ZDUSSCGKSA-N 471.008 5.775 50 10 JKGE Fc1ccccc1CC(CBr)(CBr)c1ccc(Br)cc1 118878444 RZZMUYLSFRWUEZ-UHFFFAOYSA-N 464.998 5.859 50 10 JKGE BrCC(CBr)(CCOc1ccccc1)c1ccc(Br)cc1 118878559 DESKNTFHQXSLFN-UHFFFAOYSA-N 477.034 5.946 50 10 JKGE COc1cc(C)c(Br)cc1[C@@H](Br)c1ccc(Br)c(C)c1 137912265 UVHWMEKXKBNGLL-INIZCTEOSA-N 463.007 6.321 50 10 JKGE CCCCOc1cc(/C=C(/C#N)C(=O)Nc2sc3c(c2C(=O)OCC)CC[C@@H](C)C3)ccc1OC 209405470 IFRLTRXNQWBZJE-SQFNAUOLSA-N 496.629 5.783 50 10 JKGE CCOC(=O)c1ccc(NC(=O)/C(C#N)=C\Nc2cc(C(F)(F)F)cc(C(F)(F)F)c2)cc1 217104419 HZIQEDAZNVPDCO-QBFSEMIESA-N 471.357 5.359 50 10 JKGE Cc1ccc([C@H](Br)c2cc(Br)cc3c2OCC3)cc1Br 228441750 RIVIWJMAOQHVNY-HNNXBMFYSA-N 460.991 5.939 50 10 JKGE O=C(NC[C@H]1CCCC[C@@H]1CBr)c1ccc(Br)cc1Br 232461944 JWZBYBKQDHHUKN-GHMZBOCLSA-N 468.027 5.143 50 10 JKGE COc1c(C)cc(Br)c(C)c1[C@@H](Br)c1csc(Br)c1 235022354 NRSWPJQUDZNIQH-ZDUSSCGKSA-N 469.036 6.383 50 10 JKGE ClCc1cc(Br)c(OCc2sccc2Br)c(Br)c1 236020950 IYCXKSAVDICTTH-UHFFFAOYSA-N 475.427 6.353 50 10 JKGE CCC[C@@H](C)c1ccc(OCC(=O)NN=Cc2cn(-c3ccccc3)nc2-c2ccccc2)cc1 252595086 BYPZOQVFORDNKS-JOCHJYFZSA-N 466.585 5.972 50 10 JKGE CC(=NNC(=O)c1cc(-c2ccc(C(C)C)cc2)nc2ccc(C)cc12)c1cc(O)ccc1O 254432821 UZGRRIAJWNBQKF-UHFFFAOYSA-N 453.542 5.899 50 10 JKGE N#CC1=C(N)OC2=C(CN(Cc3ccccc3)C/C2=C/c2ccc(F)cc2)[C@H]1c1ccc(F)cc1 254824064 QKHMTTXGMAZSLK-AARISIMOSA-N 467.519 5.626 50 10 JKGE O=C(N[C@@H](CBr)C1CCCCC1)c1cc(Br)sc1Br 395189922 HUUUCRVJNMFERT-JTQLQIEISA-N 474.056 5.347 50 10 JKGE Oc1nc2cc([C@H](Br)c3cscc3Br)c(Br)cc2[nH]1 404785409 YBRZBUZFRKVMBL-NSHDSACASA-N 466.980 5.339 50 10 JKGE Fc1cc(F)c([C@@H](Br)c2scc(Br)c2Br)c(F)c1 707820452 UMONQQVSYPORFZ-SNVBAGLBSA-N 464.926 6.175 50 10 JKGE Fc1cccc(C(CBr)(CBr)Cc2sncc2Br)c1 719877622 CSYHAHSBYVLFHG-UHFFFAOYSA-N 472.015 5.315 50 10 JKGE CCN(CC)c1ccc(C=NNC(=O)c2ccc(OCc3ccc(Br)cc3)cc2)cc1 1081086732 AZOQSIIMMXPKMI-UHFFFAOYSA-N 480.406 5.638 50 10 JKGE CCOc1cc(C=NNC(=O)c2cc3ccccc3o2)ccc1OCc1cccc([N+](=O)[O-])c1 1083958218 QZLOLIADCJMAPL-UHFFFAOYSA-N 459.458 5.083 50 10 JKGE COc1ccc(/C(C#N)=C/c2cccc(OC(=O)[C@H](C)Oc3ccc(Cl)cc3Cl)c2)cc1 1615066798 PHMOVTZSAVTUBK-QUYZQLMHSA-N 468.336 6.439 50 10 JKGE N#CC1=C(N)Oc2c(c(C(F)(F)F)nn2-c2cccc3ccccc23)[C@H]1c1cccc(Cl)c1 1865683550 MLGHTWPPLOKMCM-IBGZPJMESA-N 466.850 5.916 50 10 JKGE COc1ccc(-c2nn(Cc3cc(C)ccc3C)c3c2[C@@H](c2ccc(O)cc2)C(C#N)=C(N)O3)cc1 1865684239 NZKZTEUDVIOXTJ-VWLOTQADSA-N 478.552 5.148 50 10 JKGE CCCOc1ccc([C@@H]2C(C#N)=C(N)Oc3c2c(CCC)nn3-c2cccc(Cl)c2)cc1OCC 1865688323 PDNHTGCKKLVPDH-XMMPIXPASA-N 493.007 5.884 50 10 JKGE N#CC1=C(N)Oc2c(c(-c3ccccc3)nn2-c2ccccc2)[C@H]1c1ccc(OCc2ccccc2)cc1 1865689735 DKEXGWDRDFOPFR-NDEPHWFRSA-N 496.570 6.336 50 10 JKGE CCCc1nn(-c2cccc3ccccc23)c2c1[C@@H](c1ccc(OCC)cc1)C(C#N)=C(N)O2 1865693632 LDIUCJPUFKPFQG-VWLOTQADSA-N 450.542 5.595 50 10 JKGE Cc1nc(-c2ccc(Cl)cc2Cl)ccc1C(=O)NNC(=O)CCn1ccc2ccccc21 1865759815 TWHHETYYHQPPJY-UHFFFAOYSA-N 467.356 5.170 50 10 JKGE Cc1ccc([C@H](CC(=O)N[C@@H](C(=O)Nc2ccc(SC#N)cc2)c2ccccc2)C2CC2)cc1C 1866722964 AXWGZNTYRSBCCE-IXCJQBJRSA-N 483.637 6.257 50 10 JKGE N#CSc1ccc(NC(=O)[C@H](CSCc2ccccc2)NC(=O)[C@@H]2C[C@H]2c2ccccc2)cc1 1867053771 PSBDXDZBYGTTGG-GVAUOCQISA-N 487.650 5.420 50 10 JKGE N#CSc1ccc(Nc2cc(N3CCC(N4CCCCCC4)CC3)nc(Cc3ccccc3)n2)cc1 1868206991 BOUIKGQKJKHEMO-UHFFFAOYSA-N 498.700 6.229 50 10 JKGE COCCc1nc(Nc2ccc(SC#N)cc2)cc(N2CCS[C@@H](c3ccc(OC)cc3)C2)n1 1868253279 FBMRWHDPWYILAH-JOCHJYFZSA-N 493.658 5.285 50 10 JKGE COc1ccc(OC/C(O)=C(\C#N)c2nc(-c3ccc(F)c(C)c3)cs2)c(C(C)(C)C)c1 1872750173 ZTHUSKZJYYAKPQ-PYCFMQQDSA-N 452.551 6.435 50 10 JKGE N#C/C(=C(/O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1)c1nc(-c2ccc(Oc3ccccc3)cc2)cs1 1872753713 JQVJPVCUOGKJQO-LNVKXUELSA-N 486.465 6.369 50 10 JKGE COc1c(Cl)cc(Cl)cc1-c1csc(/C(C#N)=C(\O)CNC(=O)c2ccccc2)n1 1872754484 VNFRCJFWDMVXQW-SDXDJHTJSA-N 460.342 5.348 50 10 JKGE COc1c(Cl)cc(Cl)cc1-c1csc(/C(C#N)=C(\O)C(c2ccccc2)c2ccccc2)n1 1872754506 WDIIGTMXHMKBPB-GFMRDNFCSA-N 493.415 7.750 50 10 JKGE COc1ccc(-c2csc(/C(C#N)=C(\O)[C@@H]3CC(=O)N([C@H](C)c4ccccc4)C3)n2)c2ccccc12 1872758792 QRQCLHSSSLMYIV-BEMDVBTGSA-N 495.604 6.374 50 10 JKGE CCCCOc1c(Br)cc(/C=C(\C#N)c2nc(-c3ccc(CC)cc3)cs2)cc1OC 1872781761 PDPPANWOFPMVKC-UDWIEESQSA-N 497.458 7.387 50 10 JKGE CCCOc1c(/C=C(\C#N)c2nc(-c3ccc(OC)c4ccccc34)cs2)cccc1OC 1872795238 VFEAPQRLDNIAQE-XDJHFCHBSA-N 456.567 6.833 50 10 JKGE Clc1cc(I)c([C@H](Cl)c2ccc(OCc3ccccc3)cc2)s1 1901026882 UMCMHWGJGFUNDH-QGZVFWFLSA-N 475.178 6.913 50 10 JKGE FC(F)(F)c1cnc(N(CCCBr)Cc2ccccc2)c(I)c1 1914603048 WEEPYCNTCJQUSY-UHFFFAOYSA-N 499.112 5.497 50 10 JKGE O=C(c1csc(Br)c1Br)N1CC[C@@]2(CCC[C@H]2Br)C1 1918946287 HVAZUSAFIODWLK-RNCFNFMXSA-N 472.040 5.053 50 10 JKGE Cc1c(Br)sc([C@H](Br)c2ccccc2C(C)(C)C)c1Br 1922883782 PRBHUNMLPKEDBS-CYBMUJFWSA-N 481.091 7.363 50 10 JKGE Brc1cc(Br)c([C@H](Br)c2ccsc2Br)s1 1922889193 VJHSZXGQRPPDRQ-SSDOTTSWSA-N 495.881 6.581 50 10 JKGE Cc1scc([C@@H](Br)c2sc(Br)c(C)c2Br)c1C 1922892809 BPWAYFXCHIIMIS-SNVBAGLBSA-N 459.066 6.744 50 10 JKGE Cc1c(Br)sc([C@@H](Cl)c2sccc2Br)c1Br 1922929797 LUAUTIJNFSFKJA-ZETCQYMHSA-N 465.457 6.734 50 10 JKGE Cc1c(Br)sc([C@H](Br)[C@@H](C)c2ccccc2)c1Br 1922945186 DFIDWUQDUYRCIQ-GZMMTYOYSA-N 453.037 6.821 50 10 JKGE CC(C)CCN(CCBr)C(=O)c1c(Br)cccc1Br 1924447744 SCGRBNBSSZYYAO-UHFFFAOYSA-N 456.016 5.095 50 10 JKGE Fc1c(Cl)cccc1[C@@H](Cl)c1c(Br)sc(Br)c1Br 1924589218 AMXSRPWYDFSGGD-MRVPVSSYSA-N 497.836 7.156 50 10 JKGE Clc1sc(Cl)c([C@@H](Cl)c2csc(Br)c2Br)c1Cl 1925548782 OCTXCYFXVSOKDX-YFKPBYRVSA-N 475.869 7.623 50 10 JKGE Clc1sc(Cl)c([C@@H](Cl)c2cc(Br)c(Br)s2)c1Cl 1925568904 NQDBSHFDOOXZQR-YFKPBYRVSA-N 475.869 7.623 50 10 JKGE CN(CCN(Cc1ccccc1)c1ccc(Cl)cc1CBr)Cc1ccccc1 1931966112 WNEMRXIRDLCYFT-UHFFFAOYSA-N 457.843 6.374 50 10 JKGE Cc1sc([C@@H](Br)c2cscc2OCc2ccccc2)cc1Br 1934839992 RUXPRKYQYVMDHL-KRWDZBQOSA-N 458.240 6.944 50 10 JKGE C[C@@H](C[C@@H](Br)c1c(Br)sc(Br)c1Cl)C1CC1 1983716932 SIGCHCVNJMAJJM-CAHLUQPWSA-N 451.449 6.799 50 10 JKGE CC[C@@H]1CC[C@@H]([C@H](Cl)c2c(Br)sc(Br)c2Br)O1 2023216108 UHPLTUCONRJUNR-JHEQGTHGSA-N 467.448 6.273 50 10 JKGE Brc1cc([C@@H](Br)[C@@H]2CCn3nccc3C2)c(Br)s1 2046627547 PDTUJVHJQOFSSV-HQJQHLMTSA-N 455.013 5.168 50 10 JKGE Fc1c(Cl)cccc1C[C@@H](Br)c1cc(Br)c(Br)s1 2050548802 JNGQZZPYUDLQDK-SSDOTTSWSA-N 477.418 6.744 50 10 JKGE CCCc1ccc(-n2nc(CBr)c(I)c2C(F)(F)F)cc1 2079260446 DMMOKNFTYLRMEC-UHFFFAOYSA-N 473.074 5.343 50 10 JKGE Cc1nc(C[C@@H](Cl)c2ccc(Br)cc2I)sc1C 2086150165 XLKQPCUHHAKGKL-LLVKDONJSA-N 456.574 5.650 50 10 JKGE Cc1cc(Br)c(F)c([C@@H](Br)Cc2cccc(Br)c2)c1 2089375074 TWLCMGPFFVGMLC-ZDUSSCGKSA-N 450.971 6.338 50 10 JKGE BrCCCC1CCN(Cc2ccc(Br)cc2Br)CC1 2092264789 FKHOWJFXEJNVJH-UHFFFAOYSA-N 454.044 5.599 50 10 JKGE C[C@@H](N(Cc1ccccc1)S(=O)(=O)c1ccc(CCl)c(Br)c1)C(C)(C)C 2095909129 QYYUTWNNIJYQBH-OAHLLOKOSA-N 458.849 5.813 50 10 JKGE Clc1ccc(I)c(CC[C@@H](Br)CN2CCCCC2)c1 2099490764 RYOXRSHDUIQQCX-CYBMUJFWSA-N 456.593 5.127 50 10 JKGE Clc1c(Br)cccc1CC(CBr)(CBr)C1CCCC1 2110526986 VIZIZYWQKGQPDV-UHFFFAOYSA-N 473.474 6.611 50 10 JKGE CC(C)(C)[C@@H](C[C@@H](Br)c1c(Cl)sc(Br)c1Cl)C(F)F 2111374608 QYGIMGCGNMAFGO-NTSWFWBYSA-N 459.021 7.571 50 10 JKGE C[C@H](C1CC1)N(Cc1ccccc1)S(=O)(=O)c1cc(Cl)cc(CBr)c1Cl 2123268750 NEERBJMTTNWCBP-CYBMUJFWSA-N 477.251 5.878 50 10 JKGE Cc1c(Br)ccc([C@@H](Br)C2CCCCCCC2)c1Br 2138875990 LHULUKSCSZFJEN-INIZCTEOSA-N 453.056 7.317 50 10 JKGE Fc1cc(Oc2c(CBr)ccc(Br)c2Cl)cc(F)c1Br 2154374059 SFQHROQVANGGAI-UHFFFAOYSA-N 491.351 6.830 50 10 JKGE COc1ccc([C@H](Br)c2cc(Br)c(C)cc2Br)cc1Cl 2163397289 XKSAJQSMZAWSQY-HNNXBMFYSA-N 483.425 6.666 50 10 JKGE C[C@H]1CN(Cc2ccccc2)C[C@H]1Cn1c(CCl)nc2cc(Cl)c(Br)cc21 2169015078 HVFYLFZXRBVZMP-HOCLYGCPSA-N 467.238 5.959 50 10 JKGE COc1ccc(CC[C@@H](Br)c2ccccc2Br)cc1Br 2169747701 IVWKGMJADGYLCN-CQSZACIVSA-N 463.007 6.289 50 10 JKGE CCc1nn(C)c([C@H](Br)c2cc(Cl)c(Br)cc2F)c1Br 2192385232 QPBMHLIOEBSNNX-LLVKDONJSA-N 489.408 5.784 50 10 JKGE Brc1cc(Br)c(OCC2CC(Br)C2)c(CNC2CC2)c1 2196908112 VXAOHVKUESMIDG-UHFFFAOYSA-N 468.027 5.016 50 10 JKGE CO[C@@H]1C[C@@H](Br)C[C@@H]1c1sc(Br)c(Br)c1Br 2212200695 PBMKDZHJYUQQEC-HCWXCVPCSA-N 497.872 5.692 50 10 JKGE CCN1C[C@H](Cl)[C@@H](c2sc(Br)c(Br)c2Br)C1 2212201166 UHVKQJNUJAKKTN-WDSKDSINSA-N 452.437 5.062 50 10 JKGE Cc1c(Br)sc([C@@H](Cl)c2scc(Br)c2Br)c1C 2213618649 AQDNFPWPXRUQGP-MRVPVSSYSA-N 479.484 7.042 50 10 JKGE Cc1c(Br)sc([C@H](Br)c2ccccc2OCc2ccccc2)c1C 2213631126 VIUNMZWTYMCTNF-GOSISDBHSA-N 466.238 7.191 50 10 JKGE C[C@@H]1CCC[C@@H]([C@@H](Br)c2c(Br)cc(Cl)c(Cl)c2Cl)O1 2226836572 ZJJLCYOZQCFOAV-OUAIYISWSA-N 451.413 6.803 50 10 JKGE Cc1cc(Br)c([C@H](Br)[C@@H]2C[C@@H]2[C@@H]2C[C@H]2C)c(C)c1Br 2227358695 AAILXBKLGSMUBV-MQIFMZEHSA-N 451.040 6.557 50 10 JKGE CCN(C[C@](C)(CBr)OCCCC(F)(F)C(F)(F)F)C(=O)OC(C)(C)C 2231728850 IIJXZPOBWMNKRG-AWEZNQCLSA-N 456.290 5.391 50 10 JKGE Cc1cc(Br)c([C@H](Br)[C@H]2CCCC23CCC3)c(C)c1Br 2235602202 CQFATMOMXZNKBJ-MLGOLLRUSA-N 465.067 7.235 50 10 JKGE Cc1cc(Br)c([C@H](Br)C(C)(C)[C@H]2CCCO2)c(C)c1Br 2235616235 ZSRHHFTWCOSVAV-DOMZBBRYSA-N 469.055 6.470 50 10 JKGE CCc1nc([C@@H](Br)c2ccc3c(c2Br)CCO3)c(Br)s1 2238071111 LFHBLECAGHVFIT-LBPRGKRZSA-N 482.035 5.650 50 10 JKGE Cc1sc(Br)c([C@H](Cl)c2ccc(Cl)c(I)c2)c1C 2256337979 UYNGDPBHYVXIDN-GFCCVEGCSA-N 476.004 6.714 50 10 JKGE Fc1cc(Br)c(F)c(Br)c1[C@H](Br)C(F)(F)C1CC1 2260065833 PGBCPSQOJBQPHA-JTQLQIEISA-N 454.881 5.971 50 10 JKGE COc1cc(Cl)c([C@H](Cl)c2scc(Br)c2Cl)cc1Br 2264604608 FUSWCZIORZWKGY-JTQLQIEISA-N 465.421 6.917 50 10 JKGE COc1ccc([C@@H](Br)c2ccc(C)c(Cl)c2)cc1I 2269554151 DXSCXRRXXDWTJZ-HNNXBMFYSA-N 451.529 5.746 50 10 JKGE FC1(F)CC[C@@H]2[C@H]([C@H](Br)Cc3cc(Br)cc(Br)c3)[C@@H]21 2277946941 FNKDFZYVPSYWHR-FDYHWXHSSA-N 458.966 5.809 50 10 JKGE COc1ccc([C@@H](Br)c2ccc(Br)cc2C)c(Br)c1Cl 2283550434 AEBMJAVMBDOTBS-ZDUSSCGKSA-N 483.425 6.666 50 10 JKGE Fc1cc(Br)c(F)c(Br)c1[C@H](Br)[C@@H]1CC[C@H]2[C@@H]1C2(F)F 2288481093 QMZWLQYYAVXJQN-GNUMKPJESA-N 480.919 6.217 50 10 JKGE CC(C)(C)c1cc(C=C(C#N)C(=O)Nc2ccc(Cl)c([N+](=O)[O-])c2)cc(C(C)(C)C)c1O 2293343991 BNLNWAAOVMYHDQ-UHFFFAOYSA-N 455.942 6.094 50 10 JKGE CCCCOc1ccc(-c2nn(-c3ccccc3)cc2C=C(C#N)c2nc3ccccc3s2)cc1F 2295838621 UJVMEAHBNJUKCR-UHFFFAOYSA-N 494.595 7.531 50 10 JKGE CCNC(=O)C(C#N)=Cc1cn(-c2ccccc2)nc1-c1ccc(OCc2ccc(F)cc2)cc1 2296730348 ZCZMXQAXIUPONZ-UHFFFAOYSA-N 466.516 5.300 50 10 JKGE CCCCOC(=O)c1cc(-c2ccc(C=C(C#N)c3nc4ccc(C)cc4[nH]3)o2)ccc1Cl 2297453743 WABVJJNPAMCMHV-UHFFFAOYSA-N 459.933 6.806 50 10 JKGE Cc1c(Cl)cccc1NC(=O)C(C#N)=Cc1cn(-c2ccccc2)nc1-c1ccc2c(c1)OCCO2 2297488361 NVKQYBUTBVPHRM-UHFFFAOYSA-N 496.954 5.818 50 10 JKGE Cc1sc(C(C#N)=Cc2ccc(Br)cc2)nc1-c1ccc(Br)cc1 2297551931 YPFHXVWOOQCLEP-UHFFFAOYSA-N 460.194 6.708 50 10 JKGE Cc1nn(-c2ccccc2)nc1C(=O)Oc1ccc(C(C#N)=Cc2ccc(C(F)(F)F)cc2)cc1 2297563469 NVCNRAXYAQUTMW-UHFFFAOYSA-N 474.442 5.878 50 10 JKGE CC(C=NNC(=O)c1[nH]c2ccc(Cl)cc2c1-c1ccccc1)=CCC1=C(C)CCCC1(C)C 2297748068 VBMULNJOTJMNKL-UHFFFAOYSA-N 474.048 8.067 50 10 JKGE CCC1([C@H](Br)c2cc(Br)ccc2OCc2ccccc2)CCCC1 2299496754 VFRKIARKAWHMJI-HXUWFJFHSA-N 452.230 7.435 50 10 JKGE Fc1c(Br)cc(Cl)c([C@H](Br)C2CC(Cl)C2)c1Br 2300168932 QYYSIHSWWIRYBX-PACJAATDSA-N 469.801 6.458 50 10 JKGE N[C@@H](c1c(Cl)cc(Br)c(F)c1Br)C1CC(Br)C1 2300182524 GUNCYNDKNGTRPW-ZROIKLNDSA-N 450.371 5.177 50 10 JKGE CCOc1cc(C=C(C#N)C(=O)Nc2ccc(OC)cc2)cc(Cl)c1OCc1ccccc1 2313540994 IOFBVEAGJDYEQY-UHFFFAOYSA-N 462.933 5.872 50 10 JKGE Cc1cccc(COc2c(Br)cc(C=C(C#N)C(=O)N(C)C)cc2Br)c1 2313566849 BTOFHZGXAJNSNP-UHFFFAOYSA-N 478.184 5.094 50 10 JKGE C=CCOc1c(Br)cc(C=C(C#N)C(=O)Nc2cccc(Cl)c2Cl)cc1OCC 2313571580 ZQHDNIOXNRXSGY-UHFFFAOYSA-N 496.188 6.265 50 10 JKGE CC(C)Cc1ccc([C@@H](C)C(=O)NN=C2C(=O)N(CC=Cc3ccccc3)c3ccccc32)cc1 2313649681 ASDQUMBCERNYBZ-JOCHJYFZSA-N 465.597 5.569 50 10 JKGE CCO[C@@H]1CC[C@H]([C@@H](Br)c2cc(Br)ccc2OCc2ccccc2)C1 2314502010 DHSZMAQTIGGSHO-YRISNDGFSA-N 468.229 6.669 50 10 JKGE CCOC(=O)c1c(NC(=O)C(C#N)=Cc2ccc(-c3ccc(C)cc3)o2)sc2c1CC[C@H](CC)C2 2314572356 ZDHYPEVMYATBRE-SFHVURJKSA-N 488.609 6.554 50 10 JKGE CCc1ccc(C[C@H]2SC(=C(C#N)C(=O)NCc3ccco3)N(c3ccc(C)c(C)c3)C2=O)cc1 2314593617 PYXBIFMICWVPJZ-RUZDIDTESA-N 485.609 5.202 50 10 JKGE Cc1ccc(C(=O)NN=Cc2ccc(-n3nc(-c4ccccc4)cc3-c3ccccc3)cc2)cc1 2323076173 FNBTTYJADPUNDV-UHFFFAOYSA-N 456.549 6.279 50 10 JKGE CC[C@@H](C)[C@@H](C(O)=C(C#N)c1nc(-c2ccc(F)c(C)c2)cs1)N1C(=O)c2ccccc2C1=O 2331322502 FLHIKQVVQDFZRW-PEBXRYMYSA-N 475.545 5.761 50 10 JKGE C[C@H](Oc1ccc(Cl)cc1Cl)C(O)=C(C#N)c1nc(-c2ccc3c(c2)OCO3)cs1 2331334701 CFNYRBDXALGVHA-NSHDSACASA-N 461.326 6.106 50 10 JKGE CCCCc1ccc(N2C[C@H](C(O)=C(C#N)c3nc(-c4ccc(F)c(F)c4)cs3)CC2=O)cc1 2331351951 OSVXXQIQXBKJOE-GOSISDBHSA-N 479.552 6.277 50 10 JKGE Cc1cc(C)c(C)c(-c2csc(C(C#N)=C(O)CCN3C(=O)c4ccccc4C3=O)n2)c1C 2331364678 WCZXLDRPOWRWGP-UHFFFAOYSA-N 457.555 5.523 50 10 JKGE COc1cc(-c2csc(C(C#N)=C(O)Cc3ccccc3[N+](=O)[O-])n2)c(OC)cc1Cl 2331377043 BHBQERWWOXBOOG-UHFFFAOYSA-N 457.895 5.424 50 10 JKGE COc1cc(OC)c(-c2csc(C(C#N)=C(O)[C@@H](C)Oc3ccc(Cl)cc3)n2)cc1Cl 2331378693 QVHHRKZPGTYTRF-GFCCVEGCSA-N 477.369 6.394 50 10 JKGE Cc1ccccc1COc1ccc(C=C(C#N)c2nc(-c3ccc(-c4ccccc4)cc3)cs2)cc1 2331414078 DKPDQHIDEYJIGO-UHFFFAOYSA-N 484.624 8.429 50 10 JKGE CCCCOc1ccc(C=C(C#N)c2nc(-c3cc(Cl)cc(Cl)c3OC)cs2)cc1 2331467540 BQHYQSWUWABAOX-UHFFFAOYSA-N 459.398 7.369 50 10 JKGE Cc1ccc([C@@H](Br)c2c(Br)nc(C)n2C)c(C)c1Br 2337320738 CEHKJLVIVKQJNL-GFCCVEGCSA-N 451.000 5.355 50 10 JKGE Clc1cc(I)c([C@H](Br)[C@@H]2C[C@@H]3CCCCCC[C@@H]32)s1 2338560445 LIUUQCFMSPBVGX-KZWBYHQPSA-N 473.645 7.049 50 10 JKGE C[C@H]1[C@@H](Br)C[C@H]2CC[C@H]1N2Cc1ccc(Cl)cc1I 2341039842 BLRYLFXPQYTXNQ-BYDSVVRCSA-N 454.577 5.081 50 10 JKGE C[C@@H](c1ccncc1F)[C@@H](Cl)c1ccc(Br)cc1I 2344710039 GYWRNZKSQOPBCL-RMLUDKJBSA-N 454.508 5.671 50 10 JKGE Cc1cc(Cl)c([C@@H](Br)c2ccc(Br)cc2Br)c(Cl)c1 2353075516 BOOROAUOJPEKKB-AWEZNQCLSA-N 487.844 7.311 50 10 JKGE COc1ccc(C[C@@H](Br)c2sc(Cl)cc2I)cc1OC 2363891579 IXGKXDXCNJASKM-SECBINFHSA-N 487.584 5.702 50 10 JKGE CC[C@H](C)c1ccc([C@@H](Br)c2c(Br)c(Br)nn2C)cc1 2364062880 DBHPFZWNBCMJHM-JOYOIKCWSA-N 465.027 5.943 50 10 JKGE COc1c(Br)cc(C)c([C@@H](Br)C(C)(C)C(F)(F)F)c1Br 2365189915 ZOIJYWPTUTZVJF-LLVKDONJSA-N 482.960 6.553 50 10 JKGE COCc1cc(Br)c([C@@H](Br)c2c(Cl)cc(C)cc2Cl)s1 2381319065 HKVJAAKWZMGYJZ-ZDUSSCGKSA-N 459.030 6.757 50 10 JKGE O=C(NC1CCCCC1)[C@H](c1ccc(Cl)cc1)N(CCC1=CCCCC1)C(=O)CCl 3035255 NWZCTYWNBZWADT-QHCPKHFHSA-N 451.438 5.788 50 10 JKGE C/C(=N\NC(=O)CCC(=O)Nc1ccc(I)cc1C)c1ccc2ccccc2c1 27498075 UKUUKDVLEJVBON-WGOQTCKBSA-N 499.352 5.012 50 10 JKGE CCOc1ccc(NC(=O)/C(C#N)=C\c2cn(-c3ccccc3)nc2-c2ccc(OCC)cc2C)cc1 33305384 FDVVWDQVUYOEEH-PYCFMQQDSA-N 492.579 6.191 50 10 JKGE O=C(/C=C\c1cccc2ccccc12)N/C(S)=N\NC(=O)COc1ccccc1-c1ccccc1 33629169 KGTLPRXUDCDVGV-ZCXUNETKSA-N 481.577 5.032 50 10 JKGE N#C/C(=C/c1ccc(-c2ccc(F)cc2)o1)C(=O)Nc1nc2ccc(OC(F)(F)F)cc2s1 33761886 QQWUKMGVIUADCX-LCYFTJDESA-N 473.407 6.140 50 10 JKGE C=CCN1C(=O)C(C#N)=C(C)/C(=C\c2cn(-c3ccccc3)nc2-c2ccc(OCCC)cc2C)C1=O 38607615 OFENFYICURYTEW-YZSQISJMSA-N 492.579 5.415 50 10 JKGE CCOc1ccccc1[C@@H]1C(C#N)=C(N)Oc2cc(OC(=O)[C@@H](C)Oc3ccc(CC)cc3)ccc21 38650558 NLIJGMJLFZVGSB-CLYVBNDRSA-N 484.552 5.239 50 10 JKGE COc1ccc(OCC(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@H]3c2cccc3ccccc23)cc1 38657774 QOVYTGBTYOPLSE-NDEPHWFRSA-N 478.504 5.051 50 10 JKGE CCCCOc1cccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)COc4cccc(C)c4)ccc32)c1 38685146 YMZWQSANUVHGKE-MUUNZHRXSA-N 484.552 5.377 50 10 JKGE CCOc1ccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4ccc(OCC(C)C)cc4)ccc32)cc1 38685858 YVYBPIUBNMOCEI-MHZLTWQESA-N 484.552 5.557 50 10 JKGE CCCCC1CCC(C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@@H]3c2ccccc2Cl)CC1 38687657 LXSJMAPRXCKIMN-ZQYQLRQTSA-N 464.993 6.460 50 10 JKGE CCc1ccc2oc(C(=O)Oc3ccc4c(c3)OC(N)=C(C#N)[C@@H]4c3cccc(F)c3)c(C)c2c1 38700496 UDXYOKYWZCMISA-RUZDIDTESA-N 468.484 5.880 50 10 JKGE Cc1ccc2c(CC(=O)N/N=C3\CCCc4oc(C(=O)Nc5nccs5)c(C)c43)coc2c1C 40826716 XBQAPPGJTYWXMI-MTDXEUNCSA-N 476.558 5.059 50 10 JKGE Cc1ccc(COc2ccccc2/C=N/NC(=O)CSc2nnc(-c3ccccc3)s2)cc1 40947842 JMNUYHWVZJAJPP-CVKSISIWSA-N 474.611 5.335 50 10 JKGE O=C(N/N=C/c1cc2ccccc2nc1Cl)c1ccc(OCc2ccc(Cl)cc2)cc1 48571861 BGIMNNHKFXUYMS-MZJWZYIUSA-N 450.325 5.885 50 10 JKGE CCOc1ccc([C@@H](O)CCC(=O)N/N=C\c2cc(C)n(-c3cc(Cl)ccc3C)c2C)cc1 58894412 XYLRPZYCRNVOHT-WWUVGGQHSA-N 467.997 5.419 50 10 JKGE C=CCc1cc(/C=N\NC(=O)CC[C@H](O)c2ccc(OCC)cc2)ccc1OCc1cccc(F)c1 58895091 CGUXWSLVRREJKD-XTYFKDDUSA-N 490.575 5.496 50 10 JKGE Cc1ccc(C(=O)N/N=C/c2cc(-c3ccccc3)n(-c3ccc(Cl)cc3)c2-c2ccccc2)cc1 59427535 UCLCCGRVUYPLES-QNKGDIEWSA-N 490.006 7.537 50 10 JKGE Cc1ccc(-n2c(SCC(=O)/C(C#N)=C3\Nc4ccccc4S3)nc3ccccc3c2=O)cc1 102177662 SLPQKBYZALMTKJ-LYBHJNIJSA-N 482.590 5.308 50 10 JKGE CCCOC(=O)c1ccc(N/C=C(/C#N)c2nc(-c3ccc(Cl)cc3Cl)cs2)cc1 102934375 BGEUKUZRKWNSMR-QINSGFPZSA-N 458.370 6.660 50 10 JKGE CC(=O)N(c1ccc(C)c(C)c1)c1nc(/C=C(/C#N)c2nnc(-c3ccccc3)n2C)cs1 109087842 BUUYNOSSGFIGBZ-MOSHPQCFSA-N 454.559 5.304 50 10 JKGE N#C/C(=C/Nc1cc(C(F)(F)F)cc(C(F)(F)F)c1)C(=O)Nc1ccc(Br)cc1 109268232 JOOPXZADIGLMCQ-KTKRTIGZSA-N 478.190 5.945 50 10 JKGE COc1cc([C@@H](Br)c2cc(Cl)ccc2Cl)c(OC)cc1Br 134296817 ZPYPPNLGGHIRPD-HNNXBMFYSA-N 454.973 6.257 50 10 JKGE CCCN(C(=O)C(Cl)Cl)[C@H](CC)c1nc2ccccc2c(=O)n1-c1ccc(F)cc1 139611913 FRLOSJNQOUWSNE-GOSISDBHSA-N 450.341 5.018 50 10 JKGE CCOc1cc(Cl)c([C@@H](Br)c2cc(Br)ccc2Cl)cc1Cl 164556070 GOOZMTUVZVIOAU-HNNXBMFYSA-N 473.419 7.292 50 10 JKGE CCOc1cc(/C=N\NC(=O)c2cccc(N)c2)ccc1OCc1c(Cl)cccc1Cl 169894116 MUIYSNHXKGLDLJ-WKIKZPBSSA-N 458.345 5.317 50 10 JKGE CC(C)=CCC[C@H](C)[C@H]1CC[C@H]2[C@@H]3CC=C4C[C@@H](O[Si](C)(C)C)CC[C@]4(C)[C@H]3CC[C@@]21C 195753378 VEODFHBSLVRNGP-AGBLQDLRSA-N 456.831 9.168 50 10 JKGE Brc1cc([C@H](Br)Cc2nc3ccccc3o2)c(Br)s1 232480248 PCHHDQVBFFNJGE-MRVPVSSYSA-N 465.992 6.093 50 10 JKGE Clc1ccc([C@@H](Cl)c2cc(Br)sc2Br)cc1Br 236040354 SSFDBVSSKXAPAF-SNVBAGLBSA-N 479.846 7.017 50 10 JKGE CC(C)[Si](O[C@]1(C)C=CO[C@H](C[C@@H]2O[Si](C(C)C)(C(C)C)[C@H]2C)[C@@]1(C)O)(C(C)C)C(C)C 248339972 UGWVLRFAANQPJW-FZPKUJNRSA-N 484.870 7.545 50 10 JKGE COc1cc(C=NNC(=O)c2cc3c(ccc4ccccc43)o2)ccc1OCc1ccc(C(=O)O)cc1 252629535 UIOTVAIHWRCHRR-UHFFFAOYSA-N 494.503 5.636 50 10 JKGE Fc1cccc2c1nc(CCl)n2-c1ccc(I)c(Br)c1 312480515 WJUODABBILTPCF-UHFFFAOYSA-N 465.491 5.271 50 10 JKGE BrCc1ccc(N2C[C@H]3CCN(Cc4ccccc4)C[C@H]3C2)cc1Br 385991158 RYGGSPOKLZHKGF-MOPGFXCFSA-N 464.245 5.302 50 10 JKGE C[C@H](Cl)c1nc2cc(Br)c(F)cc2n1[C@H]1C[C@@H](C)N(Cc2ccccc2)C1 398212250 PVXFDAZBRRULNC-YCPHGPKFSA-N 450.783 6.073 50 10 JKGE COc1cc(F)c(Br)cc1[C@@H](Br)c1cscc1Br 404722323 VIVVZIMUDNNCSL-GFCCVEGCSA-N 458.972 5.905 50 10 JKGE Cc1oc(Br)cc1[C@H](Br)c1cc(Br)cc2c1OCCC2 688380737 DKFRZAXDHKIKGI-AWEZNQCLSA-N 464.979 5.922 50 10 JKGE C[C@@H](Cl)c1nc2ccc(F)c(Br)c2n1[C@@H]1CCCN(Cc2ccccc2)C1 689776569 XDUGPVSWHWRSLZ-GDBMZVCRSA-N 450.783 6.075 50 10 JKGE Cc1cc(Br)c([C@@H](Br)[C@@H]2CC23CCOCC3)cc1Br 689923242 NVDGRJRXVORYLX-SMDDNHRTSA-N 453.012 5.773 50 10 JKGE Clc1cc(Br)ccc1COc1cc(Br)ccc1CBr 691442456 FZPHMEUOODTBNM-UHFFFAOYSA-N 469.398 6.339 50 10 JKGE CCc1cc(C)sc1[C@@H](Br)c1scc(Br)c1Br 705420960 UVQOVSQUUCPWBZ-SNVBAGLBSA-N 459.066 6.690 50 10 JKGE Cc1cc([C@H](Cl)c2scc(Br)c2Br)c(C)cc1Br 705439040 NLKPILZKKGBHEY-LBPRGKRZSA-N 473.455 6.981 50 10 JKGE CC1(C)CC[C@@H](COc2c(Br)cc(CBr)cc2Br)OC1 713592995 OYLNMHYMICEPIT-NSHDSACASA-N 471.027 5.691 50 10 JKGE ClCc1cc(Br)c(OCc2ncc(Br)s2)c(Br)c1 713715779 FJMHWQOYPQHAKI-UHFFFAOYSA-N 476.415 5.748 50 10 JKGE O=C(CCCC(=O)Nc1ccc(Cl)c(Cl)c1)NN=Cc1cccc(OCc2ccccc2)c1 1083953752 GVDBGPDCFFRLGL-UHFFFAOYSA-N 484.383 5.832 50 10 JKGE O=C(C=C(Sc1ccccc1)Sc1ccccc1)NN=Cc1cccc(Oc2ccccc2)c1 1083968581 DXSPLSROUBJCKA-UHFFFAOYSA-N 482.630 7.355 50 10 JKGE Cc1cccc(OCC(=O)NN=Cc2ccc(Sc3nc4ccccc4s3)c([N+](=O)[O-])c2)c1 1083990531 WOVHPPKGTQEBAW-UHFFFAOYSA-N 478.555 5.193 50 10 JKGE N#CCC(=O)NN=Cc1ccc(Sc2nnc(Cc3cccc4ccccc34)n2-c2ccccc2)o1 1084400626 DSAACQNTRVFHQH-UHFFFAOYSA-N 492.564 5.119 50 10 JKGE COc1cc(/C=C(/C#N)C(=O)Nc2ccc(Cl)c(Cl)c2)ccc1OCc1cccc(C)c1 1084419719 HTVVMHGPWHCMEV-ODLFYWEKSA-N 467.352 6.435 50 10 JKGE Cc1c(C(=O)Nc2cc(Cl)ccc2Cl)oc2c1C(=NNC(=O)c1ccccc1F)CCC2 1772744599 XWVGADCIVUVEGT-UHFFFAOYSA-N 474.319 5.757 50 10 JKGE Cc1ccc(CNC(=O)c2oc3c(c2C)C(=NNC(=O)c2ccc(-c4ccccc4)cc2)CCC3)cc1 1772746345 DPRJJPRDPMNMNY-UHFFFAOYSA-N 491.591 5.964 50 10 JKGE Cc1ccc2c(CC(=O)NN=C3CCCc4oc(C(=O)NCCc5ccccc5)c(C)c43)coc2c1C 1772751871 ORJQAVGGLQPLRH-UHFFFAOYSA-N 497.595 5.323 50 10 JKGE COc1ccc(-c2nn(Cc3ccccc3)c3c2[C@@H](c2ccc(C(C)(C)C)cc2)C(C#N)=C(N)O3)cc1 1865682255 KHOUXBRCJFMNHC-SANMLTNESA-N 490.607 6.123 50 10 JKGE COc1ccc(-c2nn(Cc3cc(C)ccc3C)c3c2[C@@H](c2ccccc2F)C(C#N)=C(N)O3)cc1 1865683695 NCUAWYDRJKVWQA-VWLOTQADSA-N 480.543 5.581 50 10 JKGE CN(C)c1ccc([C@H]2C(C#N)=C(N)Oc3c2c(-c2ccccc2)nn3Cc2ccc(F)cc2)cc1 1865684106 SYYGYWSDTFJWRG-DEOSSOPVSA-N 465.532 5.022 50 10 JKGE CCCc1nn(-c2ccc(Br)cc2)c2c1[C@@H](c1ccccc1OC(C)C)C(C#N)=C(N)O2 1865705467 WMEQGHCUIQWPIL-QFIPXVFZSA-N 493.405 5.593 50 10 JKGE Cc1nc(-c2ccc(Cl)cc2)ccc1C(=O)NNC(=O)[C@H](C)Oc1ccc(Cl)cc1Cl 1865755982 ZJXYWMUMUPGIAS-ZDUSSCGKSA-N 478.763 5.246 50 10 JKGE N#C/C(=C(/O)Cc1ccc(OCc2ccccc2)cc1)c1nc(-c2ccc3c(c2)OCCO3)cs1 1872750720 KFKBXKJBGADFPT-BZZOAKBMSA-N 482.561 6.196 50 10 JKGE N#C/C(=C(/O)c1ccc(N2CCCC2)c([N+](=O)[O-])c1)c1nc(-c2cccc3ccccc23)cs1 1872751773 FQLXUYWHBJSMFA-DAFNUICNSA-N 468.538 6.422 50 10 JKGE COc1ccc(-c2csc(/C(C#N)=C(\O)CCCOc3ccc(C)cc3)n2)c2ccccc12 1872758714 MWGCGIZDERXIBV-BZZOAKBMSA-N 456.567 6.932 50 10 JKGE COc1ccc(-c2csc(/C(C#N)=C(\O)[C@@H](C)Oc3ccc(C(C)C)cc3)n2)c(OC)c1OC 1872759664 VYPVSIWJGSADFT-LTRAUPRXSA-N 480.586 6.219 50 10 JKGE COc1ccc(-c2csc(/C(C#N)=C/c3ccc(OCc4ccc(C)cc4)c(OC)c3)n2)cc1 1872781123 VOHVRZZTHAGRGP-OEAKJJBVSA-N 468.578 6.779 50 10 JKGE Cc1cc([C@H](Br)c2ccc(OCc3ccccc3)cc2Br)cs1 1899887048 XXYASNWGEDAAOK-IBGZPJMESA-N 452.211 6.882 50 10 JKGE BrCc1c(Br)cccc1N(Cc1ccccc1)Cc1cccs1 1914880175 PHLJTYQLEITNOI-UHFFFAOYSA-N 451.227 6.612 50 10 JKGE O=C(c1cc(C(F)(F)F)ccc1Cl)N(Cc1ccccc1)[C@@H](CBr)C1CC1 1915268852 APQNIGCGBTWDGT-SFHVURJKSA-N 460.721 6.175 50 10 JKGE Cl[C@@H](c1sccc1Br)c1sc(Br)cc1Br 1922920535 IGFVVUDNWQCJHA-ZETCQYMHSA-N 451.430 6.425 50 10 JKGE Cc1cc([C@@H](Br)c2sc(Br)c(C)c2Br)ccc1F 1922945981 MIVLXMIHIFMXGE-LLVKDONJSA-N 457.000 6.513 50 10 JKGE C[C@@H]1C[C@H]([C@H](Br)c2c(Br)sc(Br)c2Cl)[C@@H](C)O1 1923062849 SXYGKKXLHDGVOM-NRFSWKIWSA-N 467.448 6.176 50 10 JKGE Cn1c([C@H](Cl)c2c(Br)sc(Br)c2Br)cnc1Cl 1924607977 BRWJOAWCTBNVPJ-LURJTMIESA-N 483.838 5.751 50 10 JKGE Clc1sc(Br)c(Cl)c1[C@@H](Br)c1ccc(Br)cc1 1925570249 DHCLKKJEEOQTMP-QMMMGPOBSA-N 479.846 7.064 50 10 JKGE Clc1cc([C@@H](Br)c2c(Br)cccc2Br)c(Cl)s1 1945323393 RGACYHFIMVLBHJ-SNVBAGLBSA-N 479.846 7.064 50 10 JKGE CCn1cc(Br)c([C@@H](Cl)c2sc(Br)cc2Br)n1 2010564596 XHXDBTIFRCTZOC-MRVPVSSYSA-N 463.420 5.580 50 10 JKGE CC[C@H]1CN(C(=O)OCc2ccccc2)[C@@H](CC)CN1CC1(CBr)CCCC1 2044626093 DAENFSJURMLUIM-SFTDATJTSA-N 451.449 5.453 50 10 JKGE Cc1cc(Br)c([C@H](Br)c2cc(C)c(Cl)s2)cc1Br 2046713841 SXMYHSKGAXPHBJ-LBPRGKRZSA-N 473.455 7.028 50 10 JKGE CC12CC([C@@H](Br)c3cc(Br)sc3Br)(C1)C(C)(C)O2 2058143308 JWTXPFCMRZXSCU-ALXWSUNGSA-N 459.041 6.057 50 10 JKGE CC(C)Oc1ccc(Cn2nc(CCl)c(I)c2C(F)(F)F)cc1 2079212454 TWXWEWIHNFBKHY-UHFFFAOYSA-N 458.649 5.081 50 10 JKGE CC(C)c1cccc(Cn2nc(CBr)c(I)c2C(F)(F)F)c1 2079246017 UNPZAWPOWYCTPU-UHFFFAOYSA-N 487.101 5.573 50 10 JKGE Cc1cc([C@@H](Cl)c2c(Br)sc(C)c2C)ccc1I 2086023514 NGKHIURBQCPOGX-CYBMUJFWSA-N 455.586 6.369 50 10 JKGE CCOc1ccc(Br)cc1[C@H](Cl)c1csc(Br)c1Br 2093942105 KNOVSJJUBFRDEL-LBPRGKRZSA-N 489.454 6.763 50 10 JKGE Brc1scc([C@H](Br)c2ccc3c(c2)CCCO3)c1Br 2093942575 VPHDCGNRNGCFDY-GFCCVEGCSA-N 467.020 6.082 50 10 JKGE C[C@H]1[C@H](Br)C[C@H]2CC[C@H]1N2C(=O)c1csc(Br)c1Br 2093947888 KILOJHWPSJKNJA-MVHNUAHISA-N 472.040 5.050 50 10 JKGE Fc1c(Cl)cccc1C[C@H](Br)c1ccc(I)c(Cl)c1 2113464070 SBEVGJOJMOKAAI-JTQLQIEISA-N 473.938 6.416 50 10 JKGE Cc1cc(Br)c(-n2cc([C@@H](Br)C(C)C)nn2)c(Br)c1 2121064622 RUWQUVKLFDOLMZ-LBPRGKRZSA-N 451.988 5.193 50 10 JKGE Cc1cc(Br)c(C)c([C@H](Br)[C@](C)(F)C(C)(C)F)c1Br 2136377334 OASSFRCJRZRCNK-JSGCOSHPSA-N 462.998 6.741 50 10 JKGE Cc1c(F)ccc([C@@H](Br)c2cc(Cl)ccc2I)c1C 2138889569 NEPZOZJLMWBOJN-OAHLLOKOSA-N 453.520 6.185 50 10 JKGE CCOc1ccc([C@@H](Cl)c2ccc(Br)cc2I)cc1 2142288539 SPKGHLFNZWYDIF-OAHLLOKOSA-N 451.529 5.781 50 10 JKGE COc1cc(F)c(Cl)cc1[C@H](Br)c1ccc(I)cc1 2142389494 VEUVMTFVODTICI-CQSZACIVSA-N 455.492 5.577 50 10 JKGE Cn1cc(Br)c(CC(CBr)(CBr)c2ccc(Cl)cc2)n1 2143635018 QIZMFOVABIVMAT-UHFFFAOYSA-N 485.445 5.106 50 10 JKGE C[C@@H](Cl)c1nc2cncc(Br)c2n1-c1ccc(I)cc1 2151780203 MBAZUNQLIHBSKX-MRVPVSSYSA-N 462.516 5.087 50 10 JKGE Cc1nc([C@@H](Br)c2cc(Br)c3c(c2)C[C@@H](C)O3)c(Br)s1 2169493823 FEXLDVZYXDAZKT-KBUNVGBDSA-N 482.035 5.784 50 10 JKGE CCc1cc([C@@H](Br)c2ccc(Br)cc2Br)c(F)cc1F 2175372941 DXVLYJGUCLIIHU-HNNXBMFYSA-N 468.961 6.537 50 10 JKGE Cc1c(Br)ccc([C@H](Br)c2ccc3nsnc3c2)c1Br 2203687949 RVCYCDJJVAKVNI-CQSZACIVSA-N 477.019 6.009 50 10 JKGE COc1c(Br)cc(C)cc1[C@H](Cl)c1cc(I)ccc1F 2203838976 HHIQEYRONXVCIT-CQSZACIVSA-N 469.519 5.838 50 10 JKGE CCn1cc(Br)c([C@@H](Cl)c2cc(Br)c(Br)cc2F)n1 2225632357 BMXXOXSQKHGASE-NSHDSACASA-N 475.381 5.658 50 10 JKGE Cc1cc([C@H](Br)c2c(F)cc(F)c(Br)c2F)oc1Br 2227809441 PFGBJBCWIPUIHV-JTQLQIEISA-N 462.885 6.015 50 10 JKGE COc1cc(C)c([C@H](Br)c2sc(C)cc2Br)cc1Br 2229301212 NMNPYMVONKSLGR-ZDUSSCGKSA-N 469.036 6.383 50 10 JKGE COCc1cc(Br)c([C@H](Br)c2sc(C)c(C)c2Br)s1 2229321454 DHTUTTXKMPBXQK-NSHDSACASA-N 489.092 6.582 50 10 JKGE Cc1c(F)ccc([C@H](Cl)c2ccc(Br)cc2I)c1F 2231089597 VFSMWARGJRGCEN-CYBMUJFWSA-N 457.483 5.969 50 10 JKGE COc1ccc(Br)cc1[C@H](Br)c1cc(C)ccc1I 2232224293 WRSVEKZRSMCXKE-OAHLLOKOSA-N 495.980 5.855 50 10 JKGE CCCCCCCC[C@@H](Br)c1c(Br)cc(Cl)c(Cl)c1Cl 2232513561 RJQMNUUNCURYMM-SNVBAGLBSA-N 465.484 8.596 50 10 JKGE Cc1nc2c(cc1Br)nc([C@@H](C)Cl)n2C[C@H]1CC1(Br)Br 2233042763 YGEBENRYDSFYOA-HTRCEHHLSA-N 486.433 5.308 50 10 JKGE Fc1cc(Br)c(Br)cc1[C@H](Br)c1cc2ncccc2s1 2233980908 ATZBCDPDNWZIHO-AWEZNQCLSA-N 479.994 6.445 50 10 JKGE Cc1ccc(Cl)c([C@H](Br)c2c(Br)cc(C)c(Br)c2C)c1 2235603266 AKKSDFOHIHDNFZ-INIZCTEOSA-N 481.453 7.275 50 10 JKGE Cc1ccc(Cl)cc1[C@@H](Br)c1c(Br)cc(C)c(Br)c1C 2235603946 LOIQVKCOUWHCFV-MRXNPFEDSA-N 481.453 7.275 50 10 JKGE Cc1cc(Br)c([C@H](Br)[C@@H]2OC[C@H]3CCC[C@H]32)c(C)c1Br 2235614235 GIPQLHIZDCCZDZ-NSLUBLRVSA-N 467.039 6.080 50 10 JKGE CCc1cc([C@@H](Br)c2ccc(Br)cc2F)sc1Br 2256051841 GLOGKNQTYXGQLR-LBPRGKRZSA-N 457.000 6.459 50 10 JKGE COc1cc(C)c(Br)cc1[C@H](Br)c1scc(Br)c1Cl 2264598325 VULRNWAGCVUTCJ-NSHDSACASA-N 489.454 6.728 50 10 JKGE COc1ccc([C@@H](Br)c2sc(C)c(C)c2C)cc1I 2269534371 NNPLUMDDFFXRMW-CQSZACIVSA-N 451.167 5.771 50 10 JKGE CC[C@@H]1CC[C@H]([C@@H](Br)c2c(F)cc(Br)c(F)c2Br)O1 2272722596 UBWZXORTGGUDQT-KNBVPPQFSA-N 462.954 5.883 50 10 JKGE FC1(F)CCC[C@@H]([C@@H](Br)Cc2cc(Br)cc(Br)c2)C1 2277961539 VIOKAWBXZMFSGF-MFKMUULPSA-N 460.982 6.343 50 10 JKGE Fc1c(Br)cccc1[C@H](Cl)Cc1cc(Br)cc(Br)c1 2277962870 MUOQTVRLACPZIQ-CYBMUJFWSA-N 471.389 6.636 50 10 JKGE CC(C)c1cc(Br)cc(C(=O)NCCSSCCNC(=O)OC(C)(C)C)c1 2280649294 YDZYUSKYZDGDHD-UHFFFAOYSA-N 477.490 5.208 50 10 JKGE Cc1cc(Br)c(C)c([C@@H](Br)C[C@H]2CCCC23CC3)c1Br 2281374211 ZHNRFWLOBXPCOI-OCCSQVGLSA-N 465.067 7.235 50 10 JKGE CCCc1ccc([C@H](Br)c2ccc(Br)c(C)c2Br)cc1 2283390714 WRPRKAPOCGSTBS-KRWDZBQOSA-N 461.035 6.957 50 10 JKGE Fc1cccc(Br)c1C[C@H](CBr)Cc1ccccc1Br 2289736703 AMZLLBMGQHKQAD-LLVKDONJSA-N 464.998 6.147 50 10 JKGE COc1ccccc1C=CC=NNC(=O)CSc1nnc(-c2ccc(C)cc2)n1-c1ccc(C)cc1 2293202258 DFYUUJWCTFJPMK-UHFFFAOYSA-N 497.624 5.467 50 10 JKGE CC(C)(C1CCCCC1)[C@@H](Br)Cc1cc(Br)cc(Br)c1 2295343483 WNFFWKQIHLXMQS-INIZCTEOSA-N 467.083 7.124 50 10 JKGE COc1cc(OC)c([C@@H](Cl)c2cc(Br)c(Cl)s2)cc1Br 2295425139 CUYCVKHKTJKIBR-GFCCVEGCSA-N 461.002 6.272 50 10 JKGE CN(c1ncc(Br)cc1Br)[C@@H](CBr)Cc1ccccc1 2296339740 VDOOQZGOXNBJKI-CYBMUJFWSA-N 463.011 5.049 50 10 JKGE N#CC(=Cc1cn(CC(=O)Nc2ccccc2)c2ccccc12)c1ccc(Br)cc1 2297556140 FQBMAKGGBCADAS-UHFFFAOYSA-N 456.343 6.107 50 10 JKGE C[C@@H]1CCO[C@@H]1C[C@@H](Br)c1ccc(OCc2ccccc2)cc1Br 2299489144 MVJVMGLYJQODAX-JSNMRZPZSA-N 454.202 6.279 50 10 JKGE C[C@]1([C@@H](Br)c2cc(Br)ccc2OCc2ccccc2)COCCO1 2299498471 UAJBYCXEZVBCHE-RBUKOAKNSA-N 456.174 5.270 50 10 JKGE CC(C)(C[C@@H](Br)c1cc(Br)ccc1OCc1ccccc1)C1CC1 2299501348 NLVBFJFFTGSCOP-LJQANCHMSA-N 452.230 7.290 50 10 JKGE Brc1cc(OCc2ccccc2)ccc1[C@H](Br)C1[C@H]2CCCC[C@H]12 2299530916 QOPFTGKMUCIZTE-FIKGOQFSSA-N 450.214 6.900 50 10 JKGE CCCc1sc(Br)cc1[C@H](Br)c1cscc1OCc1ccccc1 2300648661 LALCEKUZKALXRF-IBGZPJMESA-N 486.294 7.588 50 10 JKGE COc1ccc(CCN(Cc2ccccc2)[C@H](C)CCBr)c(Br)c1 2301374129 TVIBPOKSGSTWLS-MRXNPFEDSA-N 455.234 5.676 50 10 JKGE COc1cc(C=C(C#N)c2cccc(Br)c2)ccc1OCc1ccc(C(=O)O)cc1 2313541622 QZOVXCMSSZAIIG-UHFFFAOYSA-N 464.315 5.799 50 10 JKGE Cc1c(Br)c(C=C(C#N)C(=O)Nc2ccc(Cl)cc2Cl)c(C)n1-c1ccccc1 2313557051 RYWWSXYVSZRSGG-UHFFFAOYSA-N 489.200 6.709 50 10 JKGE COc1cccc(C=C(C#N)C(=O)Nc2ccc(Cl)cc2)c1OCc1ccc(Br)cc1 2313631789 VTNHXUVSMGHIOS-UHFFFAOYSA-N 497.776 6.236 50 10 JKGE CCc1ccccc1NC(=O)C(C#N)=Cc1cn(Cc2cccc(C(=O)OC)c2)c2ccccc12 2313730499 XRKBKXAREKULSK-UHFFFAOYSA-N 463.537 5.584 50 10 JKGE Brc1cc(OCc2ccccc2)ccc1[C@@H](Br)[C@H]1COC2(CCC2)C1 2314442377 FPBXPYUNMQWLBT-UZLBHIALSA-N 466.213 6.423 50 10 JKGE N#CC(=Cc1ccc(-c2cc(C(F)(F)F)ccc2Cl)o1)c1nc(-c2ccc(F)cc2)cs1 2314487012 GAJMRKFBJNQBKH-UHFFFAOYSA-N 474.866 7.946 50 10 JKGE CCCOc1ccc(-c2nn(-c3ccccc3)cc2C=C2C(=O)N(CC)C(=O)C(C#N)=C2C)cc1F 2314617543 BPLQZHSFEWDWNG-UHFFFAOYSA-N 484.531 5.079 50 10 JKGE CCOc1ccc(CCC(=O)Oc2ccc(C=C(C#N)c3ccc(Cl)cc3)cc2OC)cc1 2314792498 IGJAVEPLNOGPIE-UHFFFAOYSA-N 461.945 6.350 50 10 JKGE Brc1cc(Br)c([C@@H](Br)[C@H]2COC3(CCC3)CO2)s1 2316793217 WGNNJOBTXAIKFE-SCZZXKLOSA-N 461.013 5.047 50 10 JKGE COc1cc(C=C(C#N)c2cccc(Cl)c2)ccc1OC(=O)c1ccc(-n2cccc2)cc1 2320506325 HGETZWPZQJSGSF-UHFFFAOYSA-N 454.913 6.423 50 10 JKGE COc1ccc(-c2n[nH]cc2C=NNC(=O)[C@@]2(C)CC[C@@H](c3nc4ccccc4[nH]3)C2(C)C)cc1 2328654075 QAYXQXJFXJDZNB-CCLHPLFOSA-N 470.577 5.022 50 10 JKGE CC(C)c1ccccc1O[C@@H](C)C(O)=C(C#N)c1nc(-c2ccc(Br)cc2)cs1 2331260623 RVPOWRAPSCVHJH-HNNXBMFYSA-N 469.404 6.956 50 10 JKGE COc1ccc(C(C)(C)C)cc1-c1csc(C(C#N)=C(O)[C@H](C)Oc2ccc(Cl)cc2)n1 2331350561 BMYQFNUFECAXHM-HNNXBMFYSA-N 469.006 7.030 50 10 JKGE CCOc1ccc(C=CC(O)=C(C#N)c2nc(-c3cc(C(C)(C)C)ccc3OC)cs2)cc1OC 2331350632 IDPQPUFXUBUKJM-UHFFFAOYSA-N 490.625 7.030 50 10 JKGE COc1ccc(C(C)(C)C)cc1-c1csc(C(C#N)=C(O)c2ccc3nc(C)c(C)nc3c2)n1 2331351067 OHYFDLIHWMQSDH-UHFFFAOYSA-N 470.598 6.626 50 10 JKGE COc1c(C)cc(C)cc1-c1csc(C(C#N)=C(O)CCCOc2ccc3ccccc3c2)n1 2331373155 GMWSSPJKCFSSSL-UHFFFAOYSA-N 470.594 7.241 50 10 JKGE COc1cc(-c2csc(C(C#N)=C(O)c3cc4ccccc4oc3=O)n2)c(OC)cc1Cl 2331377278 FTRGNCPVWUVXCV-UHFFFAOYSA-N 466.902 5.537 50 10 JKGE Fc1cc(C[C@H](Cl)c2ccc(OCc3ccccc3)cc2Br)ccc1Cl 2336084895 YBCAATQUYQUMPC-FQEVSTJZSA-N 454.166 7.343 50 10 JKGE Cn1ncc(Cl)c1[C@@H](Br)c1c(Cl)cc(Br)c(F)c1Br 2337083416 ZDSDVRNMONZZFT-VIFPVBQESA-N 495.799 5.875 50 10 JKGE C[C@@H](C1CCCC1)[C@H](Br)c1c(Cl)cc(Br)c(F)c1Br 2337113591 YPSPEPIHVUKGSF-MADCSZMMSA-N 477.437 7.266 50 10 JKGE FC1(F)CC[C@H](Br)[C@@H](Cc2ccc(Cl)c(I)c2)CC1 2337273670 VSOZIVIXIJMOLG-MNOVXSKESA-N 463.531 6.076 50 10 JKGE COc1c(Br)cc(C)c([C@H](Br)[C@@H]2CC[C@@H]3C[C@@H]32)c1Br 2339656758 QRUSMTJMMYECHQ-ORXSELOVSA-N 453.012 6.011 50 10 JKGE CC(C)c1cn(-c2cc(Br)cc(F)c2CBr)c(Br)n1 2344653496 OAIIOHUYCGARFT-UHFFFAOYSA-N 454.963 5.555 50 10 JKGE C[C@@H](c1ccncc1F)[C@@H](Br)c1cc(Cl)ccc1I 2344692698 OBLHYMLKHYYKBC-RMLUDKJBSA-N 454.508 5.718 50 10 JKGE Brc1cc(C[C@@H]2C[C@@H]3CCCC[C@@H]3[C@H]2Br)ccc1I 2349778625 NCYMBRVQJQUJAY-ZWUHOBOKSA-N 498.040 6.186 50 10 JKGE CC1(C)C[C@](C)(CCl)CN1Cc1ccc(I)c(Br)c1 2349853130 HNUQDSOCBODEQY-OAHLLOKOSA-N 456.593 5.283 50 10 JKGE CC(C)(C)Oc1ccc([C@H](Br)[C@H]2C[C@H](Br)C2)cc1Br 2353076636 PNTFZVGDMYZBPG-MJVIPROJSA-N 455.028 6.236 50 10 JKGE Cc1sc([C@@H](Cl)c2c(F)cc(Cl)c(Br)c2Cl)c(Br)c1C 2360488224 CKTTUVQKGGTWBG-LBPRGKRZSA-N 481.439 7.664 50 10 JKGE Fc1c(Br)cc(Cl)c([C@@H](Br)C23CCCC2CCC3)c1Br 2362231997 INIOFMPPZZGLII-OOCCNLOMSA-N 489.448 7.411 50 10 JKGE FC1(F)C[C@@](CBr)(Cc2ccc(Cl)c(I)c2)C12CCC2 2362373565 OTFMJEYVCGJZIN-CYBMUJFWSA-N 475.542 6.078 50 10 JKGE CCCc1sc(Br)cc1[C@@H](Br)c1cc(Cl)c(Cl)cc1C 2363257350 YJVMAEUSOBGCJP-HNNXBMFYSA-N 457.058 7.563 50 10 JKGE Cc1cc(Br)c(F)c(Br)c1[C@@H](Br)[C@H]1Cc2ccccc21 2365182099 YTLWAFBWMSHHSO-FZMZJTMJSA-N 462.982 6.435 50 10 JKGE COc1c(Br)cc(C)c([C@H](Br)C[C@H]2CC[C@@H]2OC)c1Br 2365193686 KCZPBWZHLVYAAP-FOGDFJRCSA-N 471.027 5.780 50 10 JKGE COc1c(Br)cc(C)c([C@H](Br)[C@@H]2CC3(CC3)CO2)c1Br 2365193853 LKIPYGZXPPCJCO-CMPLNLGQSA-N 469.011 5.534 50 10 JKGE FC1(F)CC[C@]2(C1)[C@H](Br)C[C@H]2OCc1cccc(I)c1 2367339369 GHUZUTBTIIBKDE-MCIONIFRSA-N 457.096 5.149 50 10 JKGE CCOc1ccc([C@@H](Br)c2ccc(I)c(Cl)c2)c(F)c1 2367462666 ZBYSFTRGEUDDAT-HNNXBMFYSA-N 469.519 5.967 50 10 JKGE Cc1ccccc1N1C(=O)[C@H](Cc2cccc(Cl)c2)S/C1=C(\C#N)C(=O)Nc1ccccc1 13512538 XYOMBIKESBHAPI-CTHAODRQSA-N 473.985 5.713 50 10 JKGE COc1ccc(-c2nn(-c3ccccc3)cc2/C=C(\C#N)c2ccc3c(c2)OCO3)cc1OC 33372372 AJBMEQYGVLJXDO-UDWIEESQSA-N 451.482 5.349 50 10 JKGE COc1cc(/C=C(\C#N)C(=O)NCc2ccccc2)ccc1OC(=O)/C=C\c1ccc(Cl)cc1 33508902 ZCJRDQVJMRXPHO-XIABTENZSA-N 472.928 5.191 50 10 JKGE N#C/C(=C/C(Br)=C\c1ccccc1)c1nc(-c2ccc(Br)cc2)cs1 34847637 MVEOJJPYPPBNEA-AVTBJZCASA-N 472.205 6.916 50 10 JKGE N#CC1=C(N)Oc2cc(OC(=O)Cc3ccc(Cl)cc3)ccc2[C@@H]1c1ccc(Br)cc1 38651816 UHPXBYGPBVWJSD-QHCPKHFHSA-N 495.760 5.469 50 10 JKGE CCOc1cc(/C=N/NC(=O)[C@@H](C)Oc2ccc(-c3ccccc3)cc2)cc(Br)c1O 40959706 QNJZZXIUJCOTCE-KSXCTLEASA-N 483.362 5.138 50 10 JKGE O=C(N/N=C/c1ccc2ccccc2c1)c1ccccc1OCc1cccc(Br)c1 96095919 VWDNPXGGYBWNGS-JVWAILMASA-N 459.343 5.945 50 10 JKGE COc1cccc(/C=C(/C#N)C(=O)Nc2ccccc2C(=O)O)c1OCc1c(F)cccc1Cl 96453428 ABXOPTHUDYFESO-VBKFSLOCSA-N 480.879 5.311 50 10 JKGE Cc1c(/C=C(\C#N)C(=O)Nc2ccc3ccccc3c2)c2ccccc2n1Cc1ccc([N+](=O)[O-])cc1 97610453 CVYZUNUJLCVVFK-JJIBRWJFSA-N 486.531 6.605 50 10 JKGE COc1cccc(CN(C(=O)CCl)[C@@H](C(=O)NC2CCC(C)CC2)c2ccc(C)cc2)c1 97914738 HVLMNDCQYWZGEX-OWZGOFHBSA-N 457.014 5.007 50 10 JKGE N#CC1=C(N)OC2=C(CN(Cc3ccccc3)C/C2=C/c2ccccc2F)[C@@H]1c1ccccc1F 98064690 HFEXFMDVCIDAAN-OBMPQXBHSA-N 467.519 5.626 50 10 JKGE CCCCCCCCOc1ccc(/C=C(/C#N)c2nc(-c3ccc(-c4ccccc4)cc3)cs2)cc1 103774336 UTPRXNZHLBLPGZ-IADYIPOJSA-N 492.688 9.281 50 10 JKGE COc1ccc([C@@H](Br)c2cc(Br)sc2Br)cc1F 109870157 OWAYWOWMZBTRFJ-LLVKDONJSA-N 458.972 5.905 50 10 JKGE BrCC(CBr)(CC[C@@H]1CCCO1)c1ccc(Br)cc1 118671758 DPOXFUCKSIRZEW-AWEZNQCLSA-N 455.028 5.436 50 10 JKGE COc1c(C)cc(Br)c(C)c1[C@@H](Br)c1cccc(Cl)c1Cl 125698704 CYYCQMCTASDJMB-AWEZNQCLSA-N 453.001 6.866 50 10 JKGE COc1c(C)cc(Br)c(C)c1[C@H](Br)c1ccc(Cl)cc1Cl 125741739 HAHYVQPJHOEIBB-OAHLLOKOSA-N 453.001 6.866 50 10 JKGE COc1cccc(C[C@H](Br)c2cc(Br)c(C)cc2Br)c1 128838115 ASENXPKRRDVVBR-INIZCTEOSA-N 463.007 6.207 50 10 JKGE COc1cc([C@@H](Br)Cc2cccc(Br)c2)c(OC)cc1Br 134301729 MHALNQRFLJZDNM-ZDUSSCGKSA-N 479.006 5.908 50 10 JKGE O=C(N[C@@H]1c2ccccc2C[C@H]1Br)c1cc(Br)ccc1Br 161222112 DGXRGXXHSNXVJI-HUUCEWRRSA-N 473.990 5.002 50 10 JKGE COc1ccc(/C=C/C(=O)Oc2ccc(/C=C(/C#N)c3nc(-c4ccccc4)cs3)cc2)cc1 210606948 PTBSZUAORNIJAW-CSMLLFHVSA-N 464.546 6.502 50 10 JKGE Cc1cc(I)ccc1NC(=O)/C(C#N)=C\Nc1ccc(Cl)c(Cl)c1 217253671 NPQTYQKYBNGRKI-LUAWRHEFSA-N 472.113 5.365 50 10 JKGE Clc1c(Br)cccc1[C@@H](Br)c1cc2c(cc1Br)OCCO2 228452602 PKOWDBXAAGUILG-CQSZACIVSA-N 497.408 6.121 50 10 JKGE CCCCc1ccc([C@H](Br)c2cc(Cl)ccc2I)cc1 232998330 JCRXNGPZWUKXGB-KRWDZBQOSA-N 463.584 6.772 50 10 JKGE Cc1cc(Br)c([C@H](Br)c2ccc(Cl)cc2C)cc1Br 235822086 SWRVVYUBONRRJD-OAHLLOKOSA-N 467.426 6.966 50 10 JKGE Cc1ccc(CSc2nnc(SCC(=O)NN=Cc3ccc(C(C)(C)C)cc3)s2)cc1 254429666 GEOJNNDBWBUEAS-UHFFFAOYSA-N 470.689 5.679 50 10 JKGE Fc1ccc(Br)cc1[C@H](Br)c1cc2c(cc1Br)OCC2 308422588 YXUPRXSIZVRAFL-OAHLLOKOSA-N 464.954 5.770 50 10 JKGE Cc1cc([C@@H](Br)c2ccccc2OCc2ccccc2)c(C)cc1Br 381274509 SMQZFOCVTLDQJV-QFIPXVFZSA-N 460.209 7.129 50 10 JKGE CC(C)c1ccc([C@H]2CN(C(=O)OCc3ccccc3)C[C@@H]2CI)cc1 382697119 LLKRUPGBWJDYJD-LEWJYISDSA-N 463.359 5.597 50 10 JKGE CCN(C[C@@](C)(CI)O[C@H]1C[C@H]2CC[C@@]1(C)C2(C)C)C(=O)OC(C)(C)C 387937948 FPKKBFXJLBKAAG-VAKZPMALSA-N 479.443 5.669 50 10 JKGE CCn1nc(C)c2nc([C@@H](C)Cl)n(CCCN(Cc3ccccc3)Cc3ccccc3)c21 390629646 KSJXCDFSKSGRAC-HXUWFJFHSA-N 450.030 5.953 50 10 JKGE C[C@H](Cl)c1nc2cc(I)c(F)cc2n1[C@@H]1C[C@@H](C)N(Cc2ccccc2)C1 398228521 VYIBOPUVHISLMG-IJEWVQPXSA-N 497.783 5.915 50 10 JKGE CN(C(=O)OC(C)(C)C)c1ccc([C@H]2CNc3ccccc3N2CCO[Si](C)(C)C(C)(C)C)cc1 616684933 LYMCUFBSBDNKPJ-RUZDIDTESA-N 497.756 7.053 50 10 JKGE Brc1cc([C@H](Br)c2cc(Br)c3c(c2)CCCO3)co1 689545657 QQWJRNHESLEWKF-CYBMUJFWSA-N 450.952 5.614 50 10 JKGE COc1ccc([C@H](Br)c2ccc(F)c(Br)c2F)cc1Br 691510988 KAMBYUAUDZBWTB-LBPRGKRZSA-N 470.933 5.983 50 10 JKGE C[C@@H](Cl)c1nc2cc(I)ccc2n1Cc1sncc1Br 722791318 GLNWCXCTILHQSU-SSDOTTSWSA-N 482.572 5.208 50 10 JKGE O=C(N[C@@H](CCBr)C1CCCCC1)c1cc(Br)c(Br)s1 725038371 WTHGPYUOAUXFAI-NSHDSACASA-N 488.083 5.737 50 10 JKGE FC(F)(F)Sc1cc2c(I)csc2cc1CBr 725283550 AIKLIDSVPPELHE-UHFFFAOYSA-N 453.086 6.013 50 10 JKGE C=CCc1cc(C=NNC(=O)CC[C@H](O)c2ccccc2)cc(OC)c1OCc1ccccc1F 725412174 PINSTDQPUFJQKV-VWLOTQADSA-N 476.548 5.106 50 10 JKGE CC(=NNC(=O)[C@@H](C)Nc1ccc(I)c(C)c1)c1ccc2ccccc2c1 1083968656 LROLSFAMJMEQSR-MRXNPFEDSA-N 471.342 5.094 50 10 JKGE CCCCCCOc1ccccc1C(=O)NN=C(c1ccccc1)[C@@H]1C(=O)N(c2ccccc2)N=C1C 1084020879 JLJBDDJBDMIBAQ-HHHXNRCGSA-N 496.611 5.819 50 10 JKGE N#C/C(=C/c1cn(CCOc2ccc(Cl)cc2)c2ccccc12)C(=O)NCc1cccs1 1084072847 BILWEMMRTWQXAI-JXAWBTAJSA-N 461.974 5.659 50 10 JKGE CCOc1ccc(C(=O)NN=Cc2ccc(OCc3ccc(Br)cc3)c(OCC)c2)cc1 1084300317 AKLKLVLEACWQLG-UHFFFAOYSA-N 497.389 5.589 50 10 JKGE COc1cc(C=NNC(=O)c2ccc(Cl)cc2Cl)ccc1OCc1cccc(C(=O)O)c1 1084530424 WDSPQVVJDIAROT-UHFFFAOYSA-N 473.312 5.043 50 10 JKGE O=C(NN=C(CSc1nc2ccccc2s1)c1ccc(-c2ccccc2)cc1)c1ccccc1 1084534742 KJGNRIJLYYBIPZ-UHFFFAOYSA-N 479.630 6.890 50 10 JKGE COc1ccc(C(=O)NN=C2CCCc3oc(C(=O)Oc4ccc(Cl)c(C)c4)c(C)c32)cc1 1772746215 SLNLDINSHKGSQR-UHFFFAOYSA-N 466.921 5.248 50 10 JKGE Cc1c(C(=O)Nc2ccc(Cl)cn2)oc2c1C(=NNC(=O)c1ccc(-c3ccccc3)cc1)CCC2 1772747300 MSWXOFHRLQYIHV-UHFFFAOYSA-N 498.970 6.026 50 10 JKGE COc1cc(C=NNC(=O)COc2cc(C)cc(C)c2)ccc1OCc1ccccc1Cl 1772752784 APUJAXZUNBBUPE-UHFFFAOYSA-N 452.938 5.074 50 10 JKGE CCCOc1ccc(C=NNC(=O)COc2cc(C)c(Br)cc2C(C)C)cc1OC 1772754577 KWBUNFXNQFDNEZ-UHFFFAOYSA-N 477.399 5.207 50 10 JKGE C=CCOc1ccccc1[C@H]1C(C#N)=C(N)Oc2c1c(CCC)nn2Cc1ccc(Cl)c(Cl)c1 1865690847 CNHMVJLMUSCWRT-QHCPKHFHSA-N 495.410 5.974 50 10 JKGE CCOc1cc([C@@H]2C(C#N)=C(N)Oc3c2c(C(F)(F)F)nn3CC)ccc1OCc1ccccc1 1865692705 FDFITEDUKGWCPG-HXUWFJFHSA-N 484.478 5.118 50 10 JKGE CCc1nn(-c2cccc(Cl)c2)c2c1[C@@H](c1ccc(OC(C)C)c(OC)c1)C(C#N)=C(N)O2 1865697695 ZQLNXFJSYGWJQY-QFIPXVFZSA-N 464.953 5.102 50 10 JKGE CCCc1nn(-c2ccc(Cl)c(Cl)c2)c2c1[C@H](c1ccc(O)c(OC)c1)C(C#N)=C(N)O2 1865706551 ZDEDYLGQLSBKGS-HXUWFJFHSA-N 471.344 5.064 50 10 JKGE CCCOc1ccc(/C=C/C(=O)NNC(=O)c2ccc(-c3ccc(Cl)c(Cl)c3)nc2C)cc1 1865759246 PVTOCXCBTZHIRC-AWNIVKPZSA-N 484.383 5.627 50 10 JKGE Cc1ccc(-c2nc(Nc3ccc(SC#N)cc3)cc(N3CCc4nc[nH]c4[C@@H]3C(C)C)n2)cc1 1868320169 DQIGWKXSQYQHBP-SANMLTNESA-N 481.629 6.252 50 10 JKGE CCOc1ccc(-c2csc(/C(C#N)=C(\O)c3ccc(N4CCCC4)c([N+](=O)[O-])c3)n2)cc1 1872747687 PNVYCQSDBLILRC-NMWGTECJSA-N 462.531 5.667 50 10 JKGE N#C/C(=C(/O)CCCOc1ccc(Cl)cc1Cl)c1nc(-c2ccc3c(c2)OCCO3)cs1 1872750394 DEFHLUHTTAWKSE-MNDPQUGUSA-N 489.380 6.540 50 10 JKGE COc1ccc(-c2csc(/C(C#N)=C(\O)c3cc([N+](=O)[O-])cc([N+](=O)[O-])c3C)n2)cc1Cl 1872757615 NWHUCEDXHNIYTO-RGEXLXHISA-N 472.866 5.547 50 10 JKGE COc1cc(/C=C(\C#N)c2nc(-c3ccc(C(C)C)cc3)cs2)ccc1OC(=O)c1ccccc1 1872791713 RDIDEVJLDUGANY-BUVRLJJBSA-N 480.589 7.225 50 10 JKGE COc1cc(/C=C(\C#N)c2nc(-c3c[nH]c4ccccc34)cs2)ccc1OCCN1CCOCC1 1872791856 UPRRBERIDUJPHG-XSFVSMFZSA-N 486.597 5.075 50 10 JKGE CCC[C@](C)(CBr)Cc1ccc(I)c(Br)c1 1904344756 YDCVAVPLJFTCAP-ZDUSSCGKSA-N 459.991 5.798 50 10 JKGE Cc1c(Br)sc([C@H](Br)c2csc3ccccc23)c1Br 1922883374 OMUTVHUUGUIKFM-GFCCVEGCSA-N 481.072 7.281 50 10 JKGE Cc1c(Br)sc([C@H](Br)[C@]23CCCC[C@@H]2CCC3)c1Br 1922929155 GQTPTIZEVRLCGO-DGFSRKRXSA-N 471.096 7.378 50 10 JKGE Cc1c(Br)sc([C@H](Br)c2ccccc2CC(C)C)c1Br 1922930570 TXXUGKLURUDNNL-CQSZACIVSA-N 481.091 7.264 50 10 JKGE Brc1sc(Br)c([C@@H](Br)c2ccoc2)c1Br 1924576212 LIHXPSYVYGFWMC-LURJTMIESA-N 479.813 6.113 50 10 JKGE CCc1nc([C@H](Br)c2cc(C)c(Br)s2)c(Br)s1 2003570684 USMBIKJQXHATQK-MRVPVSSYSA-N 460.054 6.085 50 10 JKGE CCOc1ccc(Br)cc1[C@@H](Br)c1cc(Br)cs1 2052436832 KYKXEQWHHGEVBI-CYBMUJFWSA-N 455.009 6.156 50 10 JKGE COc1cc(C=C(C#N)S(=O)(=O)c2ccc(C)cc2)ccc1OCc1ccc(Cl)cc1 2053497125 WZPCQORBXHIMAM-UHFFFAOYSA-N 453.947 5.574 50 10 JKGE C[C@H](NC(=O)C(C#N)=Cc1cccc(C=C(C#N)C(=O)N[C@@H](C)c2ccccc2)c1)c1ccccc1 2053614160 DDYBXSYIBASVAM-VXKWHMMOSA-N 474.564 5.255 50 10 JKGE FC1(F)CC2(C[C@@H]2[C@@H](Cl)c2c(Br)sc(Br)c2Br)C1 2069069860 VZGRXTKONQFVCD-CLZZGJSISA-N 485.413 6.751 50 10 JKGE COc1cc([C@@H](Br)c2cc(Br)c(Cl)s2)ccc1Br 2072060932 JREGPCFXLPIHHJ-LLVKDONJSA-N 475.427 6.419 50 10 JKGE Cc1cc(Br)cc([C@@H](Br)c2cc(Br)c(Cl)cc2F)c1 2097833166 ALNSEMRCSDJHFR-CQSZACIVSA-N 471.389 6.797 50 10 JKGE Fc1cc(Cl)c(Br)cc1[C@@H](Br)c1ccc(Cl)c(Br)c1 2097834184 JGRLNFYRHGHYTG-ZDUSSCGKSA-N 491.807 7.142 50 10 JKGE ClCc1nc2cc(Br)c(Cl)cc2n1C1(CCOCc2ccccc2)CC1 2103619578 GZLIUTLGBWPEOW-UHFFFAOYSA-N 454.195 6.287 50 10 JKGE Cl[C@@H](c1ccccc1C1CC1)c1c(Br)sc(Br)c1Br 2104109276 YSVNRSZYZUXTRT-LBPRGKRZSA-N 485.466 7.241 50 10 JKGE Cc1cc(Br)c([C@H](Br)[C@@H]2C[C@@]2(C)C(F)(F)F)cc1Br 2105513710 ORPQZRCLZSYMSB-KPXOXKRLSA-N 464.945 6.545 50 10 JKGE Fc1cc(CC[C@@H](Br)c2ccccc2Br)ccc1Br 2113436138 HFOAUYPRIQXJEH-CYBMUJFWSA-N 450.971 6.420 50 10 JKGE Cc1c(Cl)cc(CN[C@H](C)CCCCCI)cc1Br 2117883554 UQEHEGSAGAXZOO-LLVKDONJSA-N 458.609 5.884 50 10 JKGE FCCOc1ccccc1[C@@H](Br)c1cc(Br)sc1Br 2132980293 AJFZJTLMQVLKFB-GFCCVEGCSA-N 472.999 6.106 50 10 JKGE CCn1cc([C@@H](Br)c2cc(Br)c(Cl)cc2C)nc1Br 2137647098 VIUFSDGYOJDLKG-LBPRGKRZSA-N 471.418 5.874 50 10 JKGE Cc1c(Br)ccc([C@H](Br)Cc2ccccc2F)c1Br 2138876226 NHQVDIGRDLXNAV-CYBMUJFWSA-N 450.971 6.338 50 10 JKGE Cl[C@H](Cc1ccccc1I)c1cc(Br)c2c(c1)CCO2 2146627779 LITOPEXNGHNYMB-CQSZACIVSA-N 463.540 5.511 50 10 JKGE ClC[C@H](Cc1cccc(Br)c1)Cc1c(Br)cccc1Br 2150497398 ZXFXMMURHMYFJZ-GFCCVEGCSA-N 481.453 6.614 50 10 JKGE O=C(c1scc(Br)c1Br)N1CC2(CCC2)CC[C@H]1CBr 2152058382 XBLNUZMECYIRPU-VIFPVBQESA-N 486.067 5.443 50 10 JKGE Cc1cc(Br)c([C@H](Br)[C@@H]2C(F)(F)C23CCCC3)cc1Br 2153707457 HMMDHZUGICTMQU-STQMWFEESA-N 472.993 6.782 50 10 JKGE CC(C)(C)[C@]1(CBr)CCN(C(=O)c2csc(Br)c2Br)C1 2160941853 JMJUYWHYWZYCRY-AWEZNQCLSA-N 488.083 5.546 50 10 JKGE COc1ccc(O[C@@H]2C[C@H](Br)[C@]23CCC[C@H]3C)cc1I 2173617213 ZOOOASHOPIEYFN-CXOGBFNASA-N 451.142 5.021 50 10 JKGE Brc1cccc(Br)c1CN1C[C@@H](Br)C2(CCCCC2)C1 2174373284 GYZUUAPDIUCSTF-OAHLLOKOSA-N 466.055 5.741 50 10 JKGE Cc1cc(Br)c(CCl)c(N2CCN(Cc3ccccc3)C[C@@H]2C(F)(F)F)c1 2186710534 LHORPDOODXZNNW-LJQANCHMSA-N 461.753 5.749 50 10 JKGE CCc1nn(C)c([C@H](Br)c2ccc(OC)cc2Br)c1Br 2192384577 INMHYSFUGHXHOT-GFCCVEGCSA-N 466.999 5.000 50 10 JKGE Cc1cc(Br)c(CBr)c(N(C)Cc2cc(C)c(Br)s2)c1 2202296868 RAFVDXWHKUCQKA-UHFFFAOYSA-N 482.079 6.421 50 10 JKGE Cl[C@@H](c1ccc(-c2cccs2)s1)c1ccc(Br)cc1I 2207259735 CCFVDYLXNUYIPH-OAHLLOKOSA-N 495.632 7.172 50 10 JKGE Cc1sc(C(=O)N(C)C[C@H](Br)COCc2ccccc2)c(Br)c1C 2215942216 GGBCNXDEEOGIJW-HNNXBMFYSA-N 475.246 5.180 50 10 JKGE Clc1cc(Br)c([C@@H](Cl)c2coc(Br)c2)c(Cl)c1Cl 2217608232 LPLVNQDTLOXUAV-VIFPVBQESA-N 453.772 7.093 50 10 JKGE Fc1ccc([C@@H](Br)c2scc(Br)c2Br)c(F)c1F 2218845268 MNQRMMRROGVWFN-SSDOTTSWSA-N 464.926 6.175 50 10 JKGE Fc1cccc([C@@H](Cl)Cc2sc(Br)c(Br)c2Br)c1 2222447203 DYLNXENLDKAUPM-QMMMGPOBSA-N 477.418 6.697 50 10 JKGE Cc1c(F)ccc([C@H](Br)c2csc(Br)c2Br)c1F 2223275423 JFMYKQYTAKKMDW-VIFPVBQESA-N 460.963 6.344 50 10 JKGE CC1(C)CCC[C@@](CBr)(Cc2ccc(Br)cc2Br)O1 2226847142 AXPFZIWIPWDPEB-HNNXBMFYSA-N 455.028 5.867 50 10 JKGE Clc1cc(Br)ccc1C[C@@H](Cl)c1c(Cl)sc(Br)c1Cl 2229147654 MRSDSWWZLSRRNF-MRVPVSSYSA-N 483.867 7.756 50 10 JKGE CCCCCCCCCCCCO[C@@H]1CN(C(=O)OC(C)(C)C)C[C@@H]1I 2231019843 PKDLXGFIDRTTAK-RBUKOAKNSA-N 481.459 6.347 50 10 JKGE Fc1ccc(C[C@H](Br)c2cc(Br)c(Br)cc2F)cc1F 2233975181 IUWQBVDRWRKHDQ-VIFPVBQESA-N 472.924 6.308 50 10 JKGE Cc1cc(Br)c([C@H](Br)C2C[C@H](C)O[C@@H](C)C2)c(C)c1Br 2235616116 YMXXRUOPRKVJGW-XQJJYNOISA-N 469.055 6.468 50 10 JKGE Cc1cc([C@@H](Br)c2cc(C)c(Br)c(C)c2)c(C)cc1Br 2235676693 DTQRIJKFEOHPSC-KRWDZBQOSA-N 461.035 6.930 50 10 JKGE COc1ccc([C@@H](Br)Cc2ccc(Br)cc2Cl)cc1Br 2237451143 OURWZFDXSGKSQV-LBPRGKRZSA-N 483.425 6.552 50 10 JKGE COc1ccc([C@H](Cl)c2cccc(OCc3ccccc3)c2)cc1I 2257373729 OAJRXZKTEZCGQL-OAQYLSRUSA-N 464.730 6.207 50 10 JKGE Cc1cc(F)c(Br)cc1[C@@H](Br)c1cc(Cl)c(Br)s1 2258095653 OSXBURCNUOKJCH-LLVKDONJSA-N 477.418 6.858 50 10 JKGE Fc1cc(Br)c(F)c(Br)c1[C@H](Br)c1sccc1Cl 2259999984 WKMBVUHBTWRMOD-VIFPVBQESA-N 481.381 6.689 50 10 JKGE CC(C)c1cc(Br)cc(C(=O)N(C)C[C@H](Br)COCc2ccccc2)c1 2265990667 RGIQRGUAYVKHEI-FQEVSTJZSA-N 483.244 5.625 50 10 JKGE Cc1cc([C@H](Br)Cc2ccc(Cl)c(F)c2)ccc1I 2277809161 VTPPCOIBYNWAPT-GFCCVEGCSA-N 453.520 6.071 50 10 JKGE COc1cc(C)c(Br)c(C)c1[C@H](Br)c1cn(C)c(Br)n1 2285074101 GBMBWBFVZWQHLT-CYBMUJFWSA-N 466.999 5.055 50 10 JKGE COc1ccc([C@@H](Br)c2ccc(Cl)c(I)c2)c(OC)c1 2287082387 DMWCGVYTQMUOAS-HNNXBMFYSA-N 467.528 5.446 50 10 JKGE CC(C)(C)CCN(CCCl)C(=O)c1cc(I)ccc1Br 2289880804 JNEHMIWIEJOPER-UHFFFAOYSA-N 472.592 5.171 50 10 JKGE CCCCOc1ccccc1C=C(C#N)C(=O)Nc1ncc(Cc2cc(Cl)ccc2Cl)s1 2293038448 CWNJWAUREBWJIL-UHFFFAOYSA-N 486.424 6.765 50 10 JKGE N#CC(=Cc1ccc(Oc2ccc(C(F)(F)F)cc2[N+](=O)[O-])cc1)C(=O)Nc1ccc(F)cc1 2294193483 SWUQGRKYJWQSEE-UHFFFAOYSA-N 471.366 6.091 50 10 JKGE COc1cccc([C@@H](Br)Cc2cc(Br)cc(Br)c2)c1Cl 2295336538 XIUZBTMZOUYJGM-ZDUSSCGKSA-N 483.425 6.552 50 10 JKGE Fc1cc([C@H](Cl)c2cc3sc(Br)cc3s2)c(F)cc1Br 2295399841 ZFYWNDYXLLHMIH-ZDUSSCGKSA-N 458.574 7.094 50 10 JKGE Cc1ccc(-c2csc(C(C#N)=CNc3ccc4c(C(F)(F)F)cc(=O)oc4c3)n2)cc1C 2295937274 KTTUNFYECPNIQU-UHFFFAOYSA-N 467.472 6.529 50 10 JKGE Cc1ccc(CBr)cc1NC(=O)c1cc(Cl)ccc1I 2296127595 ZMLREJPOLRQXHF-UHFFFAOYSA-N 464.528 5.400 50 10 JKGE N#CC(=Cc1ccc(I)cc1)c1nc(-c2ccc3c(c2)OCO3)cs1 2297321164 NRXONLUVKUODMT-UHFFFAOYSA-N 458.280 5.208 50 10 JKGE N#CC(=Cc1ccc(Oc2ccc(C(F)(F)F)cc2[N+](=O)[O-])cc1)c1nc2ccccc2[nH]1 2297334496 HOCWIWIJKWYAID-UHFFFAOYSA-N 450.376 6.346 50 10 JKGE COc1cc([N+](=O)[O-])ccc1NC(=O)C(C#N)=Cc1cccc(OCc2ccc(Cl)cc2)c1 2297491168 LWVMNBFLLRZVCX-UHFFFAOYSA-N 463.877 5.381 50 10 JKGE N#CC(=Cc1ccc(OCCCOc2ccccc2)cc1)C(=O)Nc1nc2ccccc2s1 2297500345 IDDCZKKVNFKGEZ-UHFFFAOYSA-N 455.539 5.690 50 10 JKGE CC(C)(F)C[C@@H](Br)c1c(Cl)cc(Br)c(F)c1Br 2300165929 MYBMRTMRSBJOMJ-ZCFIWIBFSA-N 455.362 6.578 50 10 JKGE BrCc1cc(Br)ccc1OCc1sccc1I 2301071681 PTZCRWRNBIZAKT-UHFFFAOYSA-N 487.982 5.589 50 10 JKGE CCOc1cc(C=C(C#N)C(=O)Nc2ccc(OC)cc2)ccc1OCc1cccc2ccccc12 2313510947 FVDQEUSDAMAZEW-UHFFFAOYSA-N 478.548 6.372 50 10 JKGE COc1cc(C=C(C#N)C(=O)Nc2ccc(Cl)c(Cl)c2)ccc1OCc1ccccc1Cl 2313630508 BAPWAYMCYOCOIR-UHFFFAOYSA-N 487.770 6.780 50 10 JKGE CCc1ccccc1NC(=O)C(C#N)=Cc1cc(Br)ccc1OCc1ccc(C)cc1 2313730429 TXFPUSCSLMFTIP-UHFFFAOYSA-N 475.386 6.445 50 10 JKGE C[C@H](NC(=O)C(C#N)=Cc1cc(Br)ccc1OCc1ccc(F)cc1)c1ccccc1 2313738513 GBTQZORBNKSAIA-KRWDZBQOSA-N 479.349 5.952 50 10 JKGE Fc1cc(Cl)c(Br)c(Cl)c1[C@H](Br)c1coc(Br)c1 2313753806 ITPXOBVVEJVYQM-SECBINFHSA-N 481.768 6.735 50 10 JKGE CCOC(=O)c1c(NC(=O)C(C#N)=Cc2ccc(OCc3ccccc3)c(OC)c2)sc(C)c1C 2314572382 ZSADFEDQAHUGQV-UHFFFAOYSA-N 490.581 5.675 50 10 JKGE Fc1c(Br)cc(Cl)c([C@H](Cl)c2cc(Br)cs2)c1Br 2315456403 RJWJDMJNUAKDFQ-SNVBAGLBSA-N 497.836 7.156 50 10 JKGE Cc1cscc1[C@@H](Br)c1c(C)cc(Br)c(F)c1Br 2317396365 RPUUELWQVNJIMF-LLVKDONJSA-N 457.000 6.513 50 10 JKGE COc1ccc(C(C#N)=Cc2ccc(OC(=O)CCc3ccc(C)cc3)c(OC)c2)cc1OC 2318356222 APCSNIDCDQHKEI-UHFFFAOYSA-N 457.526 5.623 50 10 JKGE CC(C)C[C@H](NC(=O)OC(C)(C)C)C(=O)NN=Cc1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1 2328822713 CNPZCZYLIVTGJP-FQEVSTJZSA-N 461.647 5.377 50 10 JKGE CC(C)[C@H](NC(=O)OC(C)(C)C)C(=O)NN=Cc1c(OCc2ccccc2)ccc2ccccc12 2328833144 KMSVJTFJEIAYHL-VWLOTQADSA-N 475.589 5.418 50 10 JKGE COc1cc(C=C(C#N)c2nc3ccc(C)cc3[nH]2)ccc1OC(=O)c1cccc([N+](=O)[O-])c1 2331018022 IMIAOFIMPRJNET-UHFFFAOYSA-N 454.442 5.072 50 10 JKGE CCCCCCOc1ccc(C(O)=C(C#N)c2nc(-c3ccc(-c4ccccc4)cc3)cs2)cc1 2331231935 UQVBFVFGAZQHPC-UHFFFAOYSA-N 480.633 8.386 50 10 JKGE N#CC(=C(O)C=Cc1ccc(Cl)c(Cl)c1)c1nc(-c2ccc(Br)cc2)cs1 2331260479 MWZZISDHVOHVSO-UHFFFAOYSA-N 478.198 7.385 50 10 JKGE C[C@@H](c1ccccc1)N1C[C@H](C(O)=C(C#N)c2nc(-c3ccc(F)cc3F)cs2)CC1=O 2331286595 OEYZNUWJMBKBFN-GOEBONIOSA-N 451.498 5.491 50 10 JKGE CC[C@@H](C)[C@H](C(O)=C(C#N)c1nc(-c2ccc(C)cc2)cs1)N1C(=O)c2ccccc2C1=O 2331313361 HBHFFEWINYRNCN-OPAMFIHVSA-N 457.555 5.622 50 10 JKGE COc1cc(C=CC(O)=C(C#N)c2nc(-c3c[nH]c4ccccc34)cs2)cc(OC)c1OC 2331346935 NZMJMVDZCBFLNO-UHFFFAOYSA-N 459.527 5.823 50 10 JKGE COc1cc(OC)c(-c2csc(C(C#N)=C(O)CCc3nc4ccccc4[nH]c3=O)n2)cc1Cl 2331381152 POOLFAXITOPXQJ-UHFFFAOYSA-N 494.960 5.143 50 10 JKGE COc1ccc(-c2csc(C(C#N)=C(O)[C@H](C)Oc3ccc(Cl)cc3Cl)n2)c(OC)c1 2331386824 RFMFVQPZZQEDEA-LBPRGKRZSA-N 477.369 6.394 50 10 JKGE Cc1cc(C)c(-c2csc(C(C#N)=C(O)CCCN3C(=O)c4ccccc4C3=O)n2)c(C)c1 2331393017 FVKVAADEKJXZEL-UHFFFAOYSA-N 457.555 5.604 50 10 JKGE COc1c(Cl)cc(-c2csc(C(C#N)=C(O)Cc3ccc(Cl)c(Cl)c3)n2)cc1Cl 2331397015 ZJPBOBHXRDKKRH-UHFFFAOYSA-N 486.207 7.468 50 10 JKGE CCCOc1c(Br)cc(C=C(C#N)c2nc(-c3cccs3)cs2)cc1OC 2331450988 ZGNSEFLVAVEJBN-UHFFFAOYSA-N 461.406 6.496 50 10 JKGE BrCc1cc(Br)c(OCC2CCCCCC2)c(Br)c1 2338925096 SJKIQQAVJZAPJV-UHFFFAOYSA-N 455.028 6.456 50 10 JKGE Cc1cc(Br)c(F)c(Br)c1[C@H](Br)CCC1CC(C)C1 2339649152 SDDSJFCARXXQKO-BOBPJJCASA-N 457.019 6.921 50 10 JKGE Cc1cc(Br)c(F)c(Br)c1[C@H](Br)[C@H]1C2C[C@@H]3C1[C@@H]3C2 2339657629 ZTPKSEPJLWJLNT-IJJJTSGXSA-N 452.987 5.997 50 10 JKGE COC1(C(F)F)CC([C@@H](Cl)c2c(Br)sc(Br)c2Cl)C1 2343016828 FSOWUYLFFWYKLD-YQAWMQRYSA-N 458.977 6.267 50 10 JKGE Fc1ccccc1[C@H](Cl)CCc1ccc(I)c(Br)c1 2349833031 FHYXCRVPQJBLDD-CYBMUJFWSA-N 453.520 6.106 50 10 JKGE CCC[C@@H]1CN(Cc2ccc(I)c(Br)c2)C[C@H]1CCl 2349834549 UQAXXPABGFXNRK-CHWSQXEVSA-N 456.593 5.141 50 10 JKGE Brc1cc(CN2[C@H]3CCC[C@H](Br)[C@H]2CC3)ccc1I 2349842066 MGUWMUYCJGHJBI-SLEUVZQESA-N 499.028 5.334 50 10 JKGE COc1c(Br)cc(C)c([C@H](Cl)c2ccc(Br)cc2)c1Br 2365183675 KUAYBXOLRVVGNO-CQSZACIVSA-N 483.425 6.619 50 10 JKGE COc1c(Br)cc(C)c([C@@H](Br)[C@@H]2CCC(C)(C)C2)c1Br 2365190295 DAMKTJDXKWPHNG-MFKMUULPSA-N 469.055 6.791 50 10 JKGE Cc1cc(Br)c(F)c(Br)c1[C@@H](Cl)Cc1ccccc1Br 2365191046 KSWNIKWPOCALAI-LBPRGKRZSA-N 485.416 6.944 50 10 JKGE Cc1cc(Br)c(F)c(Br)c1[C@H](Br)[C@@H]1C[C@H]2C[C@H]1[C@@H]1C[C@@H]21 2365224284 WQJRKTSJJOZDFW-FVWGBEHBSA-N 467.014 6.387 50 10 JKGE O=C(NCC[C@@H]1CCCC[C@@H]1Br)c1ccc(Cl)cc1I 2365595971 PNFYMRWPWWXERF-GWCFXTLKSA-N 470.576 5.018 50 10 JKGE CN(CC[C@@H](Br)c1cccs1)Cc1ccc(Cl)cc1I 2366713831 CHIOITUPKQIZAT-CYBMUJFWSA-N 484.628 5.964 50 10 JKGE COc1c(F)cc([C@H](Cl)c2ccc(Br)cc2I)cc1F 2370446172 YFHMVKWAMVOHBE-ZDUSSCGKSA-N 473.482 5.669 50 10 JKGE CC1CCC([C@@H](CBr)NCc2ccc(I)c(Cl)c2)CC1 2379758555 BDSVRTRCRKFMMA-IJGSQOGDSA-N 470.620 5.624 50 10 JKGE FC(F)(F)CC1CCC([C@@H](Cl)c2cc(Br)c(Br)s2)CC1 2381979736 LGOXHIXMYCVNTP-OIAXGBPSSA-N 454.577 7.312 50 10 JKGE C/C(=N\NC(=O)COc1ccc2cc(Br)ccc2c1Br)c1ccccc1 12491461 RYRPFHPEMXZYFE-YDZHTSKRSA-N 476.168 5.284 50 10 JKGE N#C/C(C(=O)Nc1ccccc1F)=C1\S[C@H](Cc2ccccc2Cl)C(=O)N1c1ccccc1 13563845 FKUNMRPUOYWNRX-RYEBZEHMSA-N 477.948 5.544 50 10 JKGE N#C/C(=C/c1ccc(N2N=C(c3ccccc3)C[C@@H]2c2ccccc2)cc1)c1nc2ccccc2s1 33568779 QOIWGUPMZWCCFI-LQVYZAQWSA-N 482.612 7.716 50 10 JKGE N#C/C(=C\c1ccc([N+](=O)[O-])cc1)c1nc(-c2cc3c(ccc4ccccc43)oc2=O)cs1 33571377 BAKBUVLXZLWFFW-GZTJUZNOSA-N 451.463 6.042 50 10 JKGE COc1ccc2cc(/C(C)=N\NC(=O)c3cc(-c4ccc(F)cc4)nc4ccccc34)ccc2c1 33571756 INPZRQZGAIESOP-CAQPMQTCSA-N 463.512 6.357 50 10 JKGE Cc1cccn2c(=O)c(/C=C(/C#N)c3nc4ccccc4s3)c(Oc3ccccc3F)nc12 33584185 LBNADSFOQUDCSG-SSZFMOIBSA-N 454.486 5.608 50 10 JKGE CCCNC(=O)/C(C#N)=C/c1ccc(OC(=O)/C=C\c2ccc(OCc3ccccc3)cc2)c(OC)c1 33716602 CELHQUJIDANYEZ-YOTWYYFJSA-N 496.563 5.326 50 10 JKGE Cc1ccc(C(=O)Nc2sc(/C(C#N)=C\C3=Cc4ccccc4O[C@H]3C)nc2-c2cccs2)cc1 34982868 NGJPDQLXQLFXLD-CEZZIEKDSA-N 495.629 7.204 50 10 JKGE COc1cc(/C=C(/C#N)C(=O)Nc2ccc(C)c(Cl)c2)ccc1OCc1ccccc1C#N 35363238 SWNJPSLRPZJDAK-NHDPSOOVSA-N 457.917 5.653 50 10 JKGE Cc1ccc(C(C)C)c(OCC(=O)N/N=C2\C(=O)N(Cc3ccccc3Cl)c3ccccc32)c1 38182033 ZGKACQIYIVFSQG-BXVZCJGGSA-N 475.976 5.218 50 10 JKGE CCCCCOc1ccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4ccccc4Cl)ccc32)cc1 38685289 SDAMKCSUGVCZMQ-SANMLTNESA-N 488.971 6.346 50 10 JKGE CCCCCOc1ccccc1[C@@H]1C(C#N)=C(N)Oc2cc(OC(=O)c3ccc(OCC)cc3)ccc21 38686089 XGRCEWCZNFSQOU-NDEPHWFRSA-N 498.579 6.092 50 10 JKGE C=CCOc1ccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4oc5ccc(F)cc5c4C)ccc32)cc1 38688586 ZQRQJEIPQPDRNY-SANMLTNESA-N 496.494 5.883 50 10 JKGE Cc1ccc2cccc(OC(=O)c3oc4c(c3C)/C(=N/NC(=O)c3ccc(Cl)cc3)CCC4)c2n1 40811698 GOGRPFMYHDXWIZ-TWKHWXDSSA-N 487.943 5.788 50 10 JKGE CCCOc1ccc(/C=N/NC(=O)CSc2nc(-c3ccc(Cl)cc3)cs2)cc1OCC 40924889 UOMSCKTYZHXLSJ-DHRITJCHSA-N 490.050 5.893 50 10 JKGE O=C(CSc1nnc(-c2ccccc2)s1)N/N=C/c1ccccc1OCc1ccccc1 40947700 PQYOHESGFAXJCL-MFKUBSTISA-N 460.584 5.027 50 10 JKGE COc1cc(/C=N\NC(=O)CC[C@H](O)c2ccccc2)c(Br)cc1OCc1ccccc1 58890155 DAKQNXGMZFQZDQ-VPZZRGLESA-N 497.389 5.001 50 10 JKGE O=C(COc1ccc(C2CCCCC2)cc1)N/N=C1\C(=O)N(CCOc2ccccc2)c2ccccc21 59151741 DOKPMGUWFSIJAS-OVXWJCGASA-N 497.595 5.059 50 10 JKGE O=C(N/N=C/c1ccccc1OCc1cccc([N+](=O)[O-])c1)c1cc2cc(Br)ccc2o1 59304247 DVKQTERHVORNMR-DHRITJCHSA-N 494.301 5.446 50 10 JKGE O=C(N/N=C(/CSc1nc2ccccc2s1)c1ccc(F)cc1)c1cccc(Cl)c1 59460678 LUBABDLFIKNLDT-XHPQRKPJSA-N 455.967 6.015 50 10 JKGE O=C(N/N=C/c1ccc(OCc2ccc3ccccc3c2)cc1)c1cc2cc(Br)ccc2o1 59679814 VQOHEFKVIQGXIS-MUFRIFMGSA-N 499.364 6.691 50 10 JKGE C/C(=N\NC(=O)COc1ccc2ccccc2c1Br)C(c1ccccc1)c1ccccc1 66202565 JWHITHXBAGBJIG-VUTHCHCSSA-N 487.397 6.305 50 10 JKGE Brc1cccc([C@H](Br)c2cc(Br)sc2Br)c1 71101600 YEZRIMYLJVIOFR-JTQLQIEISA-N 489.852 6.520 50 10 JKGE COC(=O)[C@H](Oc1ccc2cc(/C=N/NC(=O)OC(C)(C)C)sc2c1)c1ccc(Cl)cc1 95938069 LSKMKBUMZHWZKG-ORBAKXMTSA-N 474.966 5.706 50 10 JKGE C=CCOc1ccc(-c2nn(-c3ccccc3)cc2/C=C2/C(=O)N(CCC)C(=O)C(C#N)=C2C)cc1C 101332767 KBCAFBLMMWAHHT-KOEQRZSOSA-N 492.579 5.415 50 10 JKGE CC(=O)c1ccc(-c2ccc(/C=C3/C(=O)N([C@H](C)c4ccccc4)C(=O)C(C#N)=C3C)o2)cc1 101337814 OLVPJWMTCPFTSC-LSPPGFKNSA-N 450.494 5.503 50 10 JKGE COc1cc(/C=C2/C(=O)N(Cc3ccccc3Cl)C(=O)C(C#N)=C2C)ccc1OCCC(C)C 101340864 NEJDRXJLZCSCTL-FYJGNVAPSA-N 478.976 5.566 50 10 JKGE CCCCCCCOc1ccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4ccccc4)ccc32)cc1 101377595 DZHWXTJNDZCJEN-NDEPHWFRSA-N 482.580 6.473 50 10 JKGE COc1cc(Br)c([C@@H](Br)c2ccc(Br)cc2C)cc1OC 109860150 UHUZKNAVOOQSSA-INIZCTEOSA-N 479.006 6.022 50 10 JKGE CCOc1cc(CBr)cc(Br)c1OCc1cc(Br)cs1 110377877 DOFQHJAIDXJZQD-UHFFFAOYSA-N 485.035 6.146 50 10 JKGE Cc1cc(Br)c([C@H](Br)C2C3CC4CC(C3)CC2C4)cc1Br 128836102 YAZPMAPRGHQDJQ-OVZRRVKOSA-N 477.078 7.028 50 10 JKGE Cc1cc(Br)c([C@H](Cl)c2cc(Br)ccc2Br)s1 161107798 VNYWQGICZIEMLI-LLVKDONJSA-N 459.428 6.672 50 10 JKGE CCOc1cc(/C=N\NC(=O)c2ccccc2O)ccc1OCc1c(Cl)cccc1Cl 169886663 BHLQPMQCRUHWFN-ZMFRSBBQSA-N 459.329 5.441 50 10 JKGE CCCC[C@H](CC)CO[Si](OCC(CC)CC)(OCC(CC)CC)OC[C@H](CC)CCCC 195751229 ULCSCCKDHPQPDN-HNRBIFIRSA-N 488.870 8.794 50 10 JKGE Cc1ccccc1P(c1ccccc1C)[C@@H](C)[C@@H]1CCC[C@@H]1P(C(C)(C)C)C(C)(C)C 202319874 KJLGULUIPNNIDJ-DPZBCOQUSA-N 454.619 8.372 50 10 JKGE CCOc1ccc(-c2nc(NC(=O)/C(C#N)=C\c3ccc(OCC)c(OC)c3)sc2C)cc1 207206329 TXKRGSPFCRGCEZ-UYRXBGFRSA-N 463.559 5.470 50 10 JKGE Clc1sc([C@@H](Cl)c2csc(I)c2)cc1Br 227839842 DGFZEHDZDCZBFO-QMMMGPOBSA-N 453.979 6.158 50 10 JKGE Clc1c(Br)cccc1[C@H](Br)c1cc(Br)cc2c1OCC2 228444583 GLILNRIANIJDBA-ZDUSSCGKSA-N 481.409 6.284 50 10 JKGE COc1ccc(Br)cc1[C@H](Br)c1ccc(Cl)c(Br)c1 234814340 UDWJOWOLTSKZHY-CQSZACIVSA-N 469.398 6.358 50 10 JKGE Clc1ccc([C@@H](Cl)c2cc(Br)ccc2Br)c(Br)c1 236041102 XUMINPLQAGSFKJ-CYBMUJFWSA-N 473.817 6.956 50 10 JKGE Fc1ccc([C@H](Br)c2cc(Br)c(Cl)s2)cc1Br 236243988 CEVANBXWVFSCDJ-JTQLQIEISA-N 463.391 6.550 50 10 JKGE CC(=NNC(=O)CSc1nnc(SCc2cccc3ccccc23)s1)c1ccncc1 254750004 KHVUIRYXQIXRHA-UHFFFAOYSA-N 465.629 5.011 50 10 JKGE CCC[C@H](Cl)[C@H](CC)COC(=O)c1ccccc1C(=O)OC[C@@H](CC)C[C@@H](Cl)CC 256071391 BQQJWMBDFUILPD-WEMPKCCASA-N 459.454 6.868 50 10 JKGE COc1ccc(COc2c(Br)cc(Br)cc2CBr)cc1 380579357 JHIVJOAICRHDBH-UHFFFAOYSA-N 464.979 5.694 50 10 JKGE Cc1cc(Cl)ccc1[C@H](Br)c1cc(I)cc2c1OCC2 383257642 YONQBUUKJNRTAW-HNNXBMFYSA-N 463.540 5.672 50 10 JKGE Cc1cc([C@H](Br)c2cc(Br)sc2Br)c(C)cc1F 395348308 CGGYAIMWKDBPJV-LBPRGKRZSA-N 457.000 6.513 50 10 JKGE Cc1oc(Br)cc1[C@@H](Br)c1cc2c(cc1Br)OCCO2 396585794 JVSOMWQODDSTRA-CQSZACIVSA-N 466.951 5.369 50 10 JKGE CC(C)(C)[Si](C)(C)OCCN1CCOC[C@@H]1c1ccccc1CO[Si](C)(C)C(C)(C)C 616600349 FNUABMOHTFARIC-HSZRJFAPSA-N 465.827 6.604 50 10 JKGE CC(C)(C)[Si](C)(C)OCCc1ccc([C@H]2CCCN2CCO[Si](C)(C)C(C)(C)C)cc1 616634466 RJLZOYBEUXQCEH-XMMPIXPASA-N 463.855 7.410 50 10 JKGE Clc1cscc1[C@H](Br)c1cc(Br)sc1Br 711551546 KDKHOMFOSUUWTG-MRVPVSSYSA-N 451.430 6.472 50 10 JKGE O=C(NCc1ccccc1)[C@@H](c1cccs1)N(C(=O)CCl)c1cccc(C(F)(F)F)c1 725237337 DMDBZMAIQGNBBB-HXUWFJFHSA-N 466.912 5.396 50 10 JKGE CC(=O)Nc1ccc(-n2c(C)cc(C=NNC(=O)c3cc4cc(Br)ccc4o3)c2C)cc1 1083967230 NCIZEIHZTPGSQK-UHFFFAOYSA-N 493.361 5.325 50 10 JKGE CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(Cl)c(Cl)c2)cc(Br)c1OC 1084144080 WXMDFZLLWXELBM-WUXMJOGZSA-N 470.150 5.709 50 10 JKGE COc1ccc(CSCC(=O)NN=Cc2ccc(OCc3cccc(Cl)c3)cc2)cc1 1084158627 JEHXCIQHAQIJAZ-UHFFFAOYSA-N 454.979 5.311 50 10 JKGE CCOc1ccc(Br)cc1C=NNC(=O)c1cc2cc(Br)ccc2o1 1084272616 ODUGURBLVVRYNK-UHFFFAOYSA-N 466.129 5.120 50 10 JKGE CCOc1cc(/C=C(\C#N)C(=O)N(C)C)c(Br)cc1OCc1ccc(Cl)c(Cl)c1 1084327846 NIFCQEQAJODVPO-OVCLIPMQSA-N 498.204 5.729 50 10 JKGE O=C(NN=Cc1cc(Cl)c(OCc2ccccc2Cl)c(Cl)c1)c1cc2ccccc2o1 1084364662 IUZWEDKJTWRETI-UHFFFAOYSA-N 473.743 6.736 50 10 JKGE N#C/C(=C\c1cn(Cc2ccccc2F)c2ccccc12)C(=O)Nc1cccc(Cl)c1Cl 1084428827 BHOTZZOAAAHBJM-SFQUDFHCSA-N 464.327 6.681 50 10 JKGE N#C/C(=C\c1ccc(Sc2nc3ccccc3[nH]2)o1)C(=O)Nc1cccc(Cl)c1Cl 1084562641 XYPAYIZBQICFMF-ZRDIBKRKSA-N 455.326 6.160 50 10 JKGE Cc1c(C(=O)Nc2ccc(C(C)C)cc2)oc2c1C(=NNC(=O)c1cccc(Cl)c1)CCC2 1772746455 UXRUUWBDAVIOKG-UHFFFAOYSA-N 463.965 6.088 50 10 JKGE COc1cc(C=NNC(=O)[C@@H](C)Oc2ccc(-c3ccccc3)cc2)cc(Br)c1OC 1772755969 WGGOLZCVSUXVCL-MRXNPFEDSA-N 483.362 5.051 50 10 JKGE CCCCc1cc(C(=O)Nc2ccc(SC#N)cc2)nn1Cc1ccc(Cl)c(Cl)c1 1862330222 YXVPSOFXVHDNLS-UHFFFAOYSA-N 459.402 6.406 50 10 JKGE CCc1nn(Cc2ccc(Cl)c(Cl)c2)c2c1[C@@H](c1ccc(Cl)cc1)C(C#N)=C(N)O2 1865683930 QNTCSIWDKAGIAC-IBGZPJMESA-N 459.764 5.672 50 10 JKGE CCc1nn(Cc2ccc(C)cc2)c2c1[C@@H](c1c(OC)ccc3ccccc13)C(C#N)=C(N)O2 1865688594 WAVREJSVLVSQEP-RUZDIDTESA-N 450.542 5.182 50 10 JKGE CCCOc1ccc([C@H]2C(C#N)=C(N)Oc3c2c(C(F)(F)F)nn3-c2ccc(Cl)cc2)cc1 1865694195 RJHPPLSXRFGQJE-SFHVURJKSA-N 474.870 5.551 50 10 JKGE CCCCCOc1ccc([C@@H]2C(C#N)=C(N)Oc3c2c(C)nn3Cc2ccccc2)cc1OC 1865695888 VEEOFNYKLKFMFC-RUZDIDTESA-N 458.562 5.036 50 10 JKGE N#CC1=C(N)Oc2c(c(-c3ccccc3)nn2Cc2c(F)cccc2Cl)[C@H]1c1c[nH]c2ccccc12 1865699983 HXXBGXHKIWXPIG-XMMPIXPASA-N 495.945 6.090 50 10 JKGE CCCc1nn(Cc2ccc(Cl)c(Cl)c2)c2c1[C@H](c1ccccc1O)C(C#N)=C(N)O2 1865708269 RZUZXZNLZTYANO-HXUWFJFHSA-N 455.345 5.114 50 10 JKGE CCCCCOc1ccc(/C=C(/C(=O)NCCCBr)c2ccccc2)cc1OC 1865909299 PKXAPVPTQKRXDL-HEHNFIMWSA-N 460.412 5.706 50 10 JKGE C[C@@H](C(=O)N[C@@H](CSCc1ccccc1)C(=O)Nc1ccc(SC#N)cc1)C1CCCC1 1867023098 ZMAVCTKPIYKTQH-JPYJTQIMSA-N 467.660 5.443 50 10 JKGE CCc1nc(Nc2ccc(SC#N)cc2)cc(N2CCC[C@H]2c2ccc(C(C)(C)C)cc2)n1 1868277993 OLSKJPVCUOGBTC-QHCPKHFHSA-N 457.647 6.995 50 10 JKGE COc1ccc(Br)cc1/C=C1\Oc2c(ccc(OCc3cccc(CCl)c3)c2C)C1=O 1871437116 IQGOAATWWPANRQ-FMCGGJTJSA-N 499.788 6.700 50 10 JKGE COc1cc2nc(/C(C#N)=C/c3cccc(OC)c3OCc3ccccc3F)nc(O)c2cc1OC 1872727601 MZDYLFZKNALBCR-WOJGMQOQSA-N 487.487 5.143 50 10 JKGE CCOc1ccc(-c2csc(/C(C#N)=C(\O)c3ccc4c(c3)C(=O)N(C(C)(C)C)C4=O)n2)cc1 1872747593 KOMWUZISHAAOSH-XDOYNYLZSA-N 473.554 5.553 50 10 JKGE COc1c(C)cc(Cl)cc1-c1csc(/C(C#N)=C(\O)c2cc(Cl)ccc2Cl)n1 1872757230 VUUFSTZPGINISV-SDXDJHTJSA-N 451.762 7.037 50 10 JKGE Brc1cccc(Br)c1CO[C@@H]1CCC[C@@H]1I 1901777978 NAHHVPJZUJIMDP-NWDGAFQWSA-N 459.947 5.084 50 10 JKGE Cc1c(Br)cccc1C(=O)N(Cc1ccccc1)[C@H](CBr)C1CC1 1915276283 NBHPIQSKKCVXER-LJQANCHMSA-N 451.202 5.573 50 10 JKGE O=C(c1ccc(Cl)c(Br)c1)N(Cc1ccccc1)C1(CBr)CCC1 1915760223 MXFIVOGRBUJKHA-UHFFFAOYSA-N 471.620 6.063 50 10 JKGE Cc1c(F)cccc1[C@H](Br)c1sc(Br)c(C)c1Br 1922894670 NDRVPCGEBIYEDO-NSHDSACASA-N 457.000 6.513 50 10 JKGE Fc1ccc(Br)c([C@H](Cl)c2c(Br)sc(Br)c2Cl)c1 1923040550 VIQFOCKMCDFJAH-QMMMGPOBSA-N 497.836 7.156 50 10 JKGE C[C@@H]1[C@H]([C@H](Cl)c2c(Br)sc(Br)c2Br)C1(F)F 1924569349 UFGVTVDJYJVSER-TVAIXVSVSA-N 459.375 6.217 50 10 JKGE Cl[C@H](C[C@@H]1C[C@H]1C1CC1)c1c(Br)sc(Br)c1Br 1924612910 OZELRXHUAWBQIE-BIIVOSGPSA-N 463.460 6.752 50 10 JKGE ClCc1nc2cc(I)ccc2n1-c1cscc1Br 1925110217 MEBOWSWWLVOGNO-UHFFFAOYSA-N 453.530 5.193 50 10 JKGE Cc1ccc(Br)cc1[C@@H](Br)c1sc(Cl)cc1Br 1948828480 KQEAUQAYKRIUKF-LLVKDONJSA-N 459.428 6.719 50 10 JKGE Cc1c(Br)sc([C@H](Br)[C@@H]2C[C@@H]3CCC[C@@H]3C2)c1Br 2063508214 HWIPLZSCIVXXGE-FYLLDIAZSA-N 457.069 6.844 50 10 JKGE Cc1c(Br)sc([C@@H](Br)[C@@H]2OCCOC2(C)C)c1Br 2066673983 IPQAFAAJWCZIFJ-SCZZXKLOSA-N 463.029 5.212 50 10 JKGE Cc1cc(Cl)c(Br)cc1[C@@H](Cl)c1cc(Br)c(Br)s1 2082382548 OYSIUEPKLYCUFY-LLVKDONJSA-N 493.873 7.326 50 10 JKGE Fc1ccc([C@H](Cl)c2ccc(Br)cc2Br)c(Br)c1 2083330024 JUVUUXVEKOUJEX-CYBMUJFWSA-N 457.362 6.441 50 10 JKGE BrCc1cc(Br)ccc1N1CCC[C@@H]1[C@H]1CCN(Cc2ccccc2)C1 2089000650 ODHAINQEPAJPAK-GHTZIAJQSA-N 478.272 5.835 50 10 JKGE Cl[C@@H](c1cc(Br)c2c(c1)CCO2)c1cc(Br)sc1Br 2090467048 KKWSIAMIHLLIMI-NSHDSACASA-N 487.438 6.299 50 10 JKGE Cc1ccc([C@@H](Cl)c2cccc(Br)c2Br)c(C)c1Br 2092334255 GUEHJTKPPAGEJX-OAHLLOKOSA-N 467.426 6.919 50 10 JKGE BrCc1cc(Br)c(OCC2[C@H]3CCCC[C@H]23)c(Br)c1 2093714293 NZNBWBRQBHSGTD-QWRGUYRKSA-N 453.012 5.922 50 10 JKGE Cc1cc([C@@H](Br)c2cc(Br)c3c(c2)CCO3)c(Br)s1 2101001638 SSHNPAHLOZNAME-LBPRGKRZSA-N 467.020 6.001 50 10 JKGE C[C@@H](Cl)c1nc2cc(Cl)c(Br)cc2n1CCCN(C)Cc1ccccc1 2112691059 NOGLQZOTFAVWTL-CQSZACIVSA-N 455.227 6.274 50 10 JKGE Cc1sc(Br)c([C@@H](Br)c2cc(Br)cc3c2OCC3)c1C 2157252548 SLKRXYCAWRMPNS-ZDUSSCGKSA-N 481.047 6.309 50 10 JKGE FC12CCC([C@@H](Br)c3cc(I)cc4c3OCC4)(CC1)C2 2157493254 VHMPSEYUNIBUKW-FHERZECASA-N 451.117 5.335 50 10 JKGE FC1(F)[C@H]2C[C@H](COc3c(Br)cc(Br)cc3CBr)C[C@H]21 2164326190 DTPAMEQXMDIGRH-IJRMOIDVSA-N 474.965 5.777 50 10 JKGE Cc1cc(Br)c(CBr)c(N(C)Cc2snc(Cl)c2Cl)c1 2173450590 MSPNCPVQADONBW-UHFFFAOYSA-N 459.034 6.052 50 10 JKGE Cc1c(CBr)cc(Cl)cc1S(=O)(=O)N(CCC(F)(F)F)Cc1ccccc1 2179862466 WSZSHWDVUIUQTM-UHFFFAOYSA-N 484.765 5.687 50 10 JKGE FC(F)(F)c1cc(Cl)cc([C@H](Cl)c2sc(Br)cc2Br)c1 2200837261 ACBXVNRXXBYSTD-JTQLQIEISA-N 468.947 7.274 50 10 JKGE Cc1cc(Br)c(C)c([C@H](Cl)c2cc3sccc3s2)c1Br 2201078424 OQELVJQBLLSYNW-OAHLLOKOSA-N 450.648 7.433 50 10 JKGE Cc1c(Br)ccc([C@H](Br)C23CCC(C)(CC2)OC3)c1Br 2203689644 ZDZPUXNAXOZMKC-FHERZECASA-N 467.039 6.305 50 10 JKGE Cc1cc(Br)sc1[C@H](Br)Cc1ccc(Br)cc1Cl 2221703758 KJKOJXAHBGDNIH-SNVBAGLBSA-N 473.455 6.914 50 10 JKGE Fc1cc(Br)c(Br)c2c1CC[C@H](C(F)(F)F)C[C@H]2Br 2225620311 SZJSBBNDJPKBCS-CAHLUQPWSA-N 468.908 6.302 50 10 JKGE Cc1cc(Br)c([C@@H](Cl)c2cccc(OCc3ccccc3)c2)c(C)c1Br 2227350939 JGDQAAYJZOXVGQ-QFIPXVFZSA-N 494.654 7.736 50 10 JKGE Cc1sc(Br)cc1[C@H](Br)c1ccc2c(c1Br)CCO2 2229733665 LEIHZHHNQVPPNB-CQSZACIVSA-N 467.020 6.001 50 10 JKGE CCCCCCCCCCCCO[C@H]1CN(C(=O)OC(C)(C)C)C[C@@H]1I 2231019842 PKDLXGFIDRTTAK-OALUTQOASA-N 481.459 6.347 50 10 JKGE C[C@@H](C[C@@H](Br)c1c(Br)cc(Cl)c(Cl)c1Cl)CC(C)(C)C 2232515110 YYAIYLJETLAPCQ-DTWKUNHWSA-N 465.484 8.308 50 10 JKGE Fc1cc(F)c([C@@H](Cl)c2c(Br)cccc2Br)c(F)c1Br 2236111640 VWSRQCUYOKYFTB-LBPRGKRZSA-N 493.342 6.720 50 10 JKGE Cc1ccc(I)c([C@@H](Br)c2ccc(-c3cccs3)s2)c1 2240996694 LDEKAKWYJHMMOL-MRXNPFEDSA-N 475.214 6.874 50 10 JKGE Cc1c(Br)sc(C[C@@H](Br)c2cccc(Br)c2)c1C 2254661361 SJCPICXOVODUPJ-GFCCVEGCSA-N 453.037 6.569 50 10 JKGE Fc1cc([C@H](Br)c2cccc(Cl)c2Br)c(F)cc1Br 2267972538 ZPGIZFGSSORVQF-GFCCVEGCSA-N 475.352 6.628 50 10 JKGE Cc1ccc(I)c([C@@H](Cl)c2c(Br)cc(C)c(F)c2C)c1 2279156468 FUVKNJZFYOQTAE-OAHLLOKOSA-N 467.547 6.446 50 10 JKGE Fc1cc(Br)c(F)c(Br)c1[C@@H](Cl)c1ccc(Cl)c(Cl)c1 2288496398 HCNQFHYMXCHBBK-LBPRGKRZSA-N 465.346 7.125 50 10 JKGE COc1cc(C=CC(=O)Oc2ccc([N+](=O)[O-])cc2)ccc1OCc1ccc(C(C)(C)C)cc1 2294609542 BQYGCYQHDAMKLV-UHFFFAOYSA-N 461.514 6.099 50 10 JKGE CCCCc1ccc(C[C@@H]2SC(=C(C#N)C(=O)Nc3ccccc3)N(c3ccccc3)C2=O)cc1 2296506955 MTQSCXMGIDTFOQ-SANMLTNESA-N 481.621 6.094 50 10 JKGE CCCCCCCCC=CCCCCCCCC(=O)O[C@H](COC(C)C)CO[P@](C)(=O)F 2297719600 ZLEFMXNNQCABDB-QNLPTKCRSA-N 478.626 8.170 50 10 JKGE CC(C)(C1CCC1)[C@@H](Br)c1cc(Br)ccc1OCc1ccccc1 2299528211 PPKFKQKMICYTEN-FQEVSTJZSA-N 452.230 7.290 50 10 JKGE CCCc1sc(Br)cc1[C@@H](Br)c1csnc1Br 2300648150 CLKOHZBYAOJPIR-SNVBAGLBSA-N 460.054 6.166 50 10 JKGE Brc1ccc(OCc2ccccc2)c([C@@H](Br)[C@H]2CC[C@H]3C[C@H]2CO3)c1 2314497590 LTXOXXVMRSYNSX-DBSRCYSRSA-N 466.213 6.279 50 10 JKGE Brc1cc(OCc2ccccc2)ccc1[C@@H](Br)C1CC2(C1)CC21CC1 2314501638 ZVYPUSVUNPFNPI-BRFBUHTJSA-N 462.225 7.044 50 10 JKGE CCOC(=O)c1c(NC(=O)C(C#N)=Cc2ccc(C(C)(C)C)cc2)sc2c1CC[C@H](CC)C2 2314571750 LJCHMHNQOIAVCB-KRWDZBQOSA-N 464.631 6.283 50 10 JKGE CCOC(=O)c1c(NC(=O)C(C#N)=Cc2ccccc2OCc2ccccc2)sc2c1CCCC2 2314717130 ODOFYPRQCBIROA-UHFFFAOYSA-N 486.593 5.928 50 10 JKGE CCCOc1ccccc1C=C(C#N)C(=O)Nc1sc2c(c1C(=O)OCC)CC[C@H](C(C)(C)C)C2 2314774208 XTLXLJQECFHJGR-FQEVSTJZSA-N 494.657 6.410 50 10 JKGE CC[C@]1(C)[C@@H](Br)CCN1C(=O)c1scc(Br)c1Br 2315138860 LIUHPKYJJJRZGK-QPUJVOFHSA-N 460.029 5.051 50 10 JKGE Fc1c(Br)cc(Cl)c([C@H](Cl)c2occc2Br)c1Br 2315441063 BTHBVNKSMUSYPB-VIFPVBQESA-N 481.768 6.688 50 10 JKGE FC(F)(F)c1ccc([C@@H](Br)c2sc(Cl)cc2I)o1 2316774465 JJUBLHUHUXPBFF-MRVPVSSYSA-N 471.463 6.102 50 10 JKGE Cc1ccc2nc(-c3ccc(NC=C(C#N)C(=O)Nc4cccc(C(=O)O)c4)cc3)sc2c1 2318454065 BCDBOSZOJGMZKQ-UHFFFAOYSA-N 454.511 5.428 50 10 JKGE COc1ccc(C(C#N)=Cc2ccc(OC(=O)CC(c3ccccc3)c3ccccc3)c(OC)c2)cc1 2320506781 RLWKRMWUHUZMBI-UHFFFAOYSA-N 489.571 6.896 50 10 JKGE COc1ccc(C(C#N)=Cc2cccc(OC(=O)COc3ccc(Cl)cc3Cl)c2)cc1 2320510752 BCLABINAXFFTLN-UHFFFAOYSA-N 454.309 6.051 50 10 JKGE CC(C)(C)OC(=O)NCCCCCC(=O)NN=Cc1cccc(OCc2ccccc2Cl)c1 2328799942 BNJFICBEVGUXQC-UHFFFAOYSA-N 474.001 5.454 50 10 JKGE CCOc1ccc(-c2csc(C(C#N)=C(O)[C@H]([C@H](C)CC)N3C(=O)c4ccccc4C3=O)n2)cc1 2331305689 IEWKNCSPNGVSNK-MWTRTKDXSA-N 487.581 5.712 50 10 JKGE CCCCCCCOc1ccc(-c2csc(C(C#N)=C(O)c3cccc(OC(C)=O)c3)n2)cc1 2331344799 NVOTWXPARQGZPH-UHFFFAOYSA-N 476.598 7.034 50 10 JKGE CCOc1ccc(OCC)c(-c2csc(C(C#N)=C(O)C=Cc3cccc(Cl)c3)n2)c1 2331376514 LVVSCUPKEBSSMO-UHFFFAOYSA-N 452.963 6.767 50 10 JKGE COc1ccc(-c2csc(C(C#N)=C(O)c3cc(OC)c(OC)c(OC)c3)n2)cc1Cl 2331398082 DMBOGLAULWTKPU-UHFFFAOYSA-N 458.923 5.448 50 10 JKGE COc1ccc(-c2csc(C(C#N)=Cc3ccc(OCc4ccccc4)c(OC)c3)n2)cc1F 2331454082 UHBWZXJVOQPYDL-UHFFFAOYSA-N 472.541 6.610 50 10 JKGE CCCOc1c(Br)cc(C=C(C#N)c2nc(-c3ccc(F)cc3)cs2)cc1OC 2331459088 JYZYVRSEDMHVTN-UHFFFAOYSA-N 473.367 6.573 50 10 JKGE Cn1ncc([C@@H](Cl)c2c(Cl)cc(Br)c(F)c2Br)c1Br 2337083543 ATBUIPSVZPURJU-SECBINFHSA-N 495.799 5.828 50 10 JKGE ClCc1cccc(OCc2ccc(Cl)c(I)c2)c1Br 2337269524 AEPLVRSOIFNXJA-UHFFFAOYSA-N 471.947 6.025 50 10 JKGE CCCc1sc(Br)cc1[C@H](Br)c1cccc(Cl)c1Br 2338031969 RDXZTMFBDMHIOZ-CYBMUJFWSA-N 487.482 7.363 50 10 JKGE Fc1ccc(C(F)F)c([C@H](Br)c2cc(Br)sc2Br)c1 2338353015 LUWFMRGTADGRQO-JTQLQIEISA-N 478.953 6.834 50 10 JKGE Clc1c(Br)sc(Br)c1[C@@H](Br)[C@H]1COC2(CCC2)CO1 2338811511 CTFVWDQEATUFPY-SVRRBLITSA-N 495.458 5.701 50 10 JKGE Cc1cc(Br)c(F)c(Br)c1[C@@H](Br)[C@H]1CC[C@@H]2C[C@@H]2C1 2339678821 JDELXUATKDSLHR-COMAGPEQSA-N 455.003 6.531 50 10 JKGE Cc1cc(I)c(O[C@@H]2C[C@H](Br)[C@@]23CCC[C@H]3C)cc1Cl 2361703296 MRDCKQIIFDXSMD-NWLYGAKOSA-N 469.588 5.974 50 10 JKGE Fc1c(Br)cc(Cl)c([C@@H](Cl)c2cc3cscc3s2)c1Br 2362226173 XBPOPEOYLUSGBW-LBPRGKRZSA-N 475.029 7.609 50 10 JKGE Fc1ccccc1[C@H](CBr)OCc1cc(Br)cc(Br)c1 2362237573 GDDMZZJAJMLKKZ-HNNXBMFYSA-N 466.970 6.004 50 10 JKGE CC12CC(C1)[C@H]([C@H](Br)c1c(Cl)cc(Br)c(F)c1Br)CO2 2362898828 XNMPVIBRGLULKE-OUVKEWSXSA-N 491.420 6.255 50 10 JKGE Br[C@@H]1CC[C@H](c2ccccc2)C[C@@H]1Cc1sccc1I 2364105303 WZEOKRDQYPWDBK-RRFJBIMHSA-N 461.206 6.243 50 10 JKGE COc1ccc(C[C@@H](Cl)c2c(Cl)sc(Br)c2Cl)c(Br)c1 2364188063 IONRTXKGNLMFEO-SECBINFHSA-N 479.448 7.111 50 10 JKGE COc1c(Br)cc(C)c([C@@H](Br)[C@@H]2[C@H]3COCC[C@H]32)c1Br 2365215626 MBSYANYZEAXCIH-FIDNZITISA-N 469.011 5.247 50 10 JKGE COc1c(Br)cc(C)c([C@H](Br)CC(C)(C)C2CC2)c1Br 2365237041 RMSWVYHXCICOFT-GFCCVEGCSA-N 469.055 6.791 50 10 JKGE Cc1cc(Br)c(C(C)C)cc1[C@@H](Br)c1cc(Cl)c(Cl)s1 2380947548 SNFKGOSZHZALOF-CQSZACIVSA-N 457.058 7.734 50 10 JKGE COc1ccc(/C=N/NC(=O)c2ccc(NC(=O)c3ccc(C(C)(C)C)cc3)cc2)c2ccccc12 12491814 ZHUVNWBCUJFZLB-ZCTHSVRISA-N 479.580 6.162 50 10 JKGE N#C/C(=C/c1cn(-c2ccccc2)nc1-c1ccc2c(c1)CCC2)c1cccc(C(F)(F)F)c1 33397520 DMOIPSSZFIONJE-HAHDFKILSA-N 455.483 7.111 50 10 JKGE COc1cccc2cc(-c3nn(-c4ccccc4)cc3/C=C(/C#N)c3nc4ccccc4[nH]3)oc12 33515861 KQTHHGFCLGXKFN-RGEXLXHISA-N 457.493 6.235 50 10 JKGE O=C(CSc1nc2ccccc2s1)N/N=C/c1ccc(-c2cc(C(F)(F)F)ccc2Cl)o1 33567864 JHNNEXWQSNQVSQ-NSKAYECMSA-N 495.935 6.471 50 10 JKGE COc1cccc(/C=C(/C#N)C(=O)Nc2ccc(C(=O)O)cc2)c1OCc1c(F)cccc1Cl 33773503 GIKOVNCNTUCSQG-ATVHPVEESA-N 480.879 5.311 50 10 JKGE COc1ccc(CC(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@@H]3c2ccc(Cl)c(Cl)c2)cc1 38656099 JBIYVILYJSYMEG-XMMPIXPASA-N 481.335 5.368 50 10 JKGE CCCCOc1cccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)Cc4ccccc4)ccc32)c1 38685254 FPSFWURIXKZEJR-HHHXNRCGSA-N 454.526 5.232 50 10 JKGE CCCCCOc1ccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)Cc4ccc(OC)cc4)ccc32)cc1 38685553 AUIOTUUGAMEZKB-GDLZYMKVSA-N 498.579 5.630 50 10 JKGE CC(C)(C)c1ccc(Oc2nc3ccccn3c(=O)c2/C=C(/C#N)C(=O)Nc2ccc(F)cc2)cc1 39858513 UOHAALQOHSBBPH-VLGSPTGOSA-N 482.515 5.469 50 10 JKGE O=C(CSc1nc(-c2ccccc2)cs1)N/N=C/c1c(Cl)ccc(Cl)c1Cl 40924438 YBRGLWOWZYHBPI-GZIVZEMBSA-N 456.807 6.013 50 10 JKGE CCc1cc(Br)ccc1-c1ccc(/C=C(\C#N)C(=O)Nc2ccc(C)c(Cl)c2)o1 58833330 PBSQVPRROLYAMM-LFIBNONCSA-N 469.766 6.779 50 10 JKGE COc1ccc(CC(=O)N/N=C/c2cccc(OCc3ccc(Cl)cc3Cl)c2)cc1OC 58835151 SGFFTWLVNNUICF-MZJWZYIUSA-N 473.356 5.282 50 10 JKGE Cc1c(Cl)cccc1NC(=O)/C(C#N)=C/c1ccc(OCc2ccc(Cl)c(Cl)c2)cc1 59201068 FUQBTNFECLRBPE-WOJGMQOQSA-N 471.771 7.080 50 10 JKGE CC1(C)CC(=O)C2=C(C1)Nc1ccccc1N(C(=O)CCl)[C@@H]2c1ccc(Cl)c(Cl)c1 59256787 FCHYWEGVZCHTSO-JOCHJYFZSA-N 463.792 6.375 50 10 JKGE COC(=O)c1cccc(Cn2cc(/C=C(\C#N)C(=O)Nc3cc(Cl)ccc3C)c3ccccc32)c1 59281873 VAYJOPYGHLIMBR-FYJGNVAPSA-N 483.955 5.984 50 10 JKGE CCc1ccc(NC(=O)/C(C#N)=C/c2cn(Cc3cccc(C(=O)OC)c3)c3ccccc23)cc1 59281881 HTARNHABGLDNLY-XQNSMLJCSA-N 463.537 5.584 50 10 JKGE CC(C)OC(=O)c1ccsc1NC(=O)/C(C#N)=C\c1ccccc1OC/C=C\c1ccccc1 96438749 GNCLCUKMZRXPHZ-UKKUQDEUSA-N 472.566 5.951 50 10 JKGE CCCN1C(=O)C(C#N)=C(C)/C(=C\c2cn(-c3ccccc3)nc2-c2cc(C)c3c(c2)C[C@@H](C)O3)C1=O 101332864 SQXWBCOLOUQLIQ-KWXFCVSUSA-N 492.579 5.173 50 10 JKGE Oc1ccc(CC(CBr)(CBr)c2ccccc2Br)cc1 127193362 LNGXFVYOUDYOEG-UHFFFAOYSA-N 463.007 5.425 50 10 JKGE CC(C)c1ccc([C@H](Cl)c2cc(Br)c(Br)s2)c(C(C)C)c1 128540091 FLAYLBHZSSASCM-INIZCTEOSA-N 450.667 7.848 50 10 JKGE Cc1cc(Br)c([C@@H](Br)c2cc(F)cc(F)c2)cc1Br 128750208 GPSKHVDWCFOREG-AWEZNQCLSA-N 454.934 6.283 50 10 JKGE O=C(N/N=C\c1c(Cl)ccc(Cl)c1Cl)c1ccc2[nH]c(Cc3ccccc3)nc2c1 169925874 VOZWZWFUIKSJKI-ZRGSRPPYSA-N 457.748 5.878 50 10 JKGE CCCCOc1ccc(/C=C(/C#N)C(=O)Nc2sc(=S)c3c(c2C#N)CC[C@H](C)C3)cc1 207209148 PSYJDVMUBHMXHY-CQUHBBLWSA-N 463.628 6.199 50 10 JKGE FC(F)(F)COCC[C@@H](Br)c1cc(Br)c(Br)s1 232344730 VGQUCJZCPAVKCG-RXMQYKEDSA-N 460.935 5.678 50 10 JKGE COc1ccc([C@@H](Br)c2ccc(F)cc2I)cc1Br 234982038 DFNIAAYYQLGFKW-CQSZACIVSA-N 499.943 5.686 50 10 JKGE Cc1cccc([C@H](Cl)c2cc(Br)c(Cl)s2)c1I 235904128 BCUSABRIKPEGSQ-JTQLQIEISA-N 461.977 6.405 50 10 JKGE Fc1cc(Oc2cc(Br)ccc2CBr)c(Br)cc1Cl 236155512 LBCHBKSQGFSJRP-UHFFFAOYSA-N 473.361 6.691 50 10 JKGE Fc1ccc([C@@H](Br)c2cc(I)ccc2Br)cc1 236176747 AJQNSFWTMPPPEM-CYBMUJFWSA-N 469.917 5.677 50 10 JKGE Cc1ccc(-n2c(C)cc(C=NNC(=O)c3ccc(CN4CCc5ccccc5C4)cc3)c2C)cc1 254300326 RMDQNKHMADAXDS-UHFFFAOYSA-N 476.624 5.725 50 10 JKGE CCCOc1ccc(/C=C(\NC(=O)c2ccccc2)C(=O)NN=C(CC)c2ccccc2)cc1 254475003 HTUOJGYZVZTMPW-UCFXCMFVSA-N 455.558 5.177 50 10 JKGE CCCCCCCCCCCCCCCC(=O)NN=Cc1c[nH]nc1-c1ccc(OC)cc1 254618047 WFGUQBPHYKNXRI-UHFFFAOYSA-N 454.659 7.017 50 10 JKGE Cc1cc(C=NNC(=O)CSC2c3ccccc3-c3ccccc32)c(C)n1-c1ccccc1F 254869715 ZKWZMYNZVSIRQO-UHFFFAOYSA-N 469.585 6.187 50 10 JKGE Clc1cc(Br)cc([C@@H](Br)c2cc3c(cc2Br)OCC3)c1 308410459 DKQRFEGOPJMXGZ-OAHLLOKOSA-N 481.409 6.284 50 10 JKGE Clc1cccc(Cl)c1[C@@H](Br)c1cc(I)cc2c1OCC2 312249730 CAMRHPRRMSWAHR-AWEZNQCLSA-N 483.958 6.017 50 10 JKGE C[C@@H](Cl)c1nc2cnccc2n1-c1ccc(I)c(Br)c1 312539309 ICNXHVNHEWDOEE-MRVPVSSYSA-N 462.516 5.087 50 10 JKGE FC(F)(F)COCCCOc1c(Br)cc(Br)cc1CBr 312713137 GGGZKNXZRNNTRR-UHFFFAOYSA-N 484.932 5.454 50 10 JKGE Cc1cc(F)c([C@H](Br)c2cc(Cl)ccc2I)cc1C 395846931 KYOROIBCIXXAGW-HNNXBMFYSA-N 453.520 6.185 50 10 JKGE Fc1cc(Br)cc([C@@H](Br)c2c(Br)cc(F)c(F)c2F)c1 398736465 OKSHCKIKQSLCPV-LLVKDONJSA-N 476.887 6.252 50 10 JKGE ClC[C@H](Cc1ccccc1Br)Cc1cc(Cl)ccc1I 405547065 XAXYTTCMSMXFSQ-LLVKDONJSA-N 484.002 6.347 50 10 JKGE CCOC(=O)CCCc1nc2cc(N(CCCl)CCO[Si](C)(C)C(C)(C)C)ccc2n1C 504233635 MFTSNPFETPFGDV-UHFFFAOYSA-N 482.141 5.526 50 10 JKGE in-vitro Clc1sc([C@H](Cl)c2scc(Br)c2Br)cc1Br 705409268 MEZRAZOTZNHFOX-ZETCQYMHSA-N 485.875 7.079 50 10 JKGE CO[C@@H](C(=O)NN=Cc1c(Br)c(C)n(-c2ccc(C)cc2C)c1C)c1ccccc1 1084206380 UHTNJNSVTXVZHX-HSZRJFAPSA-N 468.395 5.311 50 10 JKGE CCOc1cc(C=NNC(=O)c2ccc(Cl)c(Cl)c2)ccc1OCc1cccc2ccccc12 1084212066 DLKIPRXBLVQPJQ-UHFFFAOYSA-N 493.390 6.888 50 10 JKGE O=C(NN=Cc1ccc(-c2ccc([N+](=O)[O-])cc2)o1)c1cc2cc(Br)ccc2o1 1084339598 LVPZLIXISUJTRJ-UHFFFAOYSA-N 454.236 5.127 50 10 JKGE C=CCN(c1ccc(C(=O)NN=Cc2c(Cl)cccc2Cl)cc1)S(=O)(=O)c1ccccc1 1084426389 CMFQKNSDXBSFCN-UHFFFAOYSA-N 488.396 5.139 50 10 JKGE CCOc1cc(C=NNC(=O)c2c[nH]c3ccccc23)ccc1OCc1c(F)cccc1Cl 1084495569 VEPUCJGSOYJGJT-UHFFFAOYSA-N 465.912 5.702 50 10 JKGE Cc1cc(OC(=O)c2oc3c(c2C)C(=NNC(=O)c2cccc([N+](=O)[O-])c2)CCC3)ccc1Cl 1772745916 KQRLQXGPVSUBAL-UHFFFAOYSA-N 481.892 5.148 50 10 JKGE COc1cc(C=NNC(=O)COc2ccc(Br)c(C)c2)ccc1OCc1ccccc1C 1772754544 YGLCQXNPKCVBKG-UHFFFAOYSA-N 497.389 5.183 50 10 JKGE CCCCc1nc(CC(=O)N/N=C/c2cn(CCOc3ccc(Cl)cc3)c3ccccc23)cs1 1860774084 MHZIXUMYWQHCAM-LQKURTRISA-N 495.048 5.866 50 10 JKGE COc1ccc2ccccc2c1[C@H]1C(C#N)=C(N)Oc2c1c(C(F)(F)F)nn2-c1cccc(Cl)c1 1865688235 NNNILJWPFPLHIZ-HXUWFJFHSA-N 496.876 5.924 50 10 JKGE COc1ccc2ccccc2c1[C@H]1C(C#N)=C(N)Oc2c1c(C(F)(F)F)nn2-c1ccccc1 1865688495 TZEYYYQKWCXSJH-HXUWFJFHSA-N 462.431 5.271 50 10 JKGE CCOc1cccc([C@H]2C(C#N)=C(N)Oc3c2c(-c2ccc(OC)cc2)nn3Cc2ccc(C)cc2)c1 1865689753 DVKWAUQFBSVZQP-SANMLTNESA-N 492.579 5.532 50 10 JKGE CCCCCCOc1ccc([C@H]2C(C#N)=C(N)Oc3c2c(CCC)nn3-c2ccccn2)cc1OC 1865696627 OYKWZFLHDAZZOU-VWLOTQADSA-N 487.604 5.406 50 10 JKGE CCc1nn(-c2ccc(Cl)c(Cl)c2)c2c1[C@H](c1c[nH]c3ccccc13)C(C#N)=C(N)O2 1865699924 GQIGUKNCZPOQDY-FQEVSTJZSA-N 450.329 5.441 50 10 JKGE COc1ccc(-c2nn(-c3cccc4ccccc34)c3c2[C@@H](c2ccccc2O)C(C#N)=C(N)O3)cc1 1865708468 XKNOVGZNEWLLCM-SANMLTNESA-N 486.531 5.625 50 10 JKGE COc1ccc(-c2nn(-c3cccc(Cl)c3)c3c2[C@@H](c2ccc(C(=O)O)cc2)C(C#N)=C(N)O3)cc1 1865709581 XYOWXHZTIWSWBO-QFIPXVFZSA-N 498.926 5.118 50 10 JKGE CC(C)[C@H](CC(=O)N[C@H](C(=O)Nc1ccc(SC#N)cc1)c1ccccc1)c1ccc(F)cc1 1866749247 RGZURGOXBCJSAD-AHWVRZQESA-N 475.589 6.025 50 10 JKGE COc1cccc(OC)c1/C(O)=C(\C#N)c1nc(-c2cc(Cl)c(OC)c(Cl)c2)cs1 1872755764 FBRNJICHGMJUKN-UNOMPAQXSA-N 463.342 6.093 50 10 JKGE CCCCCOc1ccc(/C=C(\C#N)c2nc(-c3ccccc3Cl)cs2)cc1OCC 1872780786 LEPBRDRYDAJGQD-XMHGGMMESA-N 453.007 7.495 50 10 JKGE FC1(F)CC[C@@H](Br)[C@@H](Cc2cc(Br)ccc2Br)CC1 1881809258 IRSQDFAZAWPMJV-NOZJJQNGSA-N 460.982 6.343 50 10 JKGE Clc1cc(I)c([C@@H](Br)c2scc(Cl)c2Cl)s1 1900924427 LJNNQKVOMYWISR-ZCFIWIBFSA-N 488.424 6.859 50 10 JKGE C[C@H](Cl)c1nc2c(Br)cc(F)cc2n1C[C@@H]1CCCN1Cc1ccccc1 1912668377 FYFFEOWNCHSAFH-YOEHRIQHSA-N 450.783 5.902 50 10 JKGE CC(C)(C)O[C@H]1C[C@@H]([C@@H](Br)c2cc(Br)ccc2Br)C1 1913993473 CHXSXFOKDCXBFD-OLUVUFQESA-N 455.028 6.241 50 10 JKGE COc1ccc(CN(Cc2ccccc2)[C@H](CBr)C2CC2)cc1Br 1915217551 QSUGACGAFHCOQY-LJQANCHMSA-N 453.218 5.633 50 10 JKGE Clc1cc([C@H](Br)c2sc(Br)cc2Br)c(Cl)s1 1922929263 HQVDCMGQUCQABA-ZETCQYMHSA-N 485.875 7.126 50 10 JKGE C[C@H](CC(C)(C)C)[C@H](Cl)c1c(Br)sc(Br)c1Br 1924613048 PUOIFMMLOXOVGA-MUWHJKNJSA-N 467.492 7.388 50 10 JKGE CC(C)(C)OC(=O)Nc1c(Br)cc(Br)cc1CC(=O)CBr 1952632277 LSILFRJHQRJJQY-UHFFFAOYSA-N 485.998 5.065 50 10 JKGE CC[C@H]([C@@H](Cl)c1c(Br)sc(Br)c1Br)C(C)(F)F 2004480484 ZGKFRAPCOLEGHI-CLZZGJSISA-N 475.418 6.997 50 10 JKGE Cn1cc(Br)c([C@H](Br)c2cc(C3CC3)c(Br)s2)n1 2033626042 HATWKQDKWCKAAC-SNVBAGLBSA-N 455.013 5.368 50 10 JKGE Cc1ccc([C@H](Br)c2cc(Br)sc2C)c(C)c1Br 2034553432 AAXFYWATNMHZGJ-AWEZNQCLSA-N 453.037 6.683 50 10 JKGE CC[C@H]1CN(c2c(CBr)ccc(Br)c2Cl)CCN1Cc1ccccc1 2036843301 VKTXQKSYHJWYCM-KRWDZBQOSA-N 486.679 6.098 50 10 JKGE Cc1cc(Br)c([C@H](Cl)c2scc(C)c2Br)cc1Br 2039336132 OZPVEMWMJDFNTQ-LBPRGKRZSA-N 473.455 6.981 50 10 JKGE Cc1cc(Br)c(CBr)c(N2C[C@@H]3CN(Cc4ccccc4)C[C@@H]3C2)c1 2053220556 ZWTQKZDBJSYJHL-HDICACEKSA-N 464.245 5.221 50 10 JKGE FC1([C@H](Cl)c2c(Br)sc(Br)c2Br)CC2(CCC2)C1 2064540631 NXGZLNLUDYLNER-MRVPVSSYSA-N 481.450 6.988 50 10 JKGE Clc1ccc(C[C@@H](CBr)c2ccc(Br)cc2)c(Br)c1 2088514697 NQCMNAKYOPPVGH-LBPRGKRZSA-N 467.426 6.586 50 10 JKGE Cc1cccc([C@H](Br)c2cc(Br)c(Cl)cc2F)c1Br 2097835822 VFNGDRWVZIWDGG-AWEZNQCLSA-N 471.389 6.797 50 10 JKGE Cc1c(Cl)cc([C@@H](Br)Cc2ccc(Br)cc2)cc1Br 2111087524 VEBKGEJTVBXUNA-AWEZNQCLSA-N 467.426 6.852 50 10 JKGE Brc1cc([C@@H](Br)Cc2ccc3c(c2)CCO3)sc1Br 2112341414 BUJQEARJMCFCHO-JTQLQIEISA-N 467.020 5.887 50 10 JKGE Cc1cc(Br)c(CBr)c(Oc2ccc(F)c(Br)c2)c1 2116823798 FOKBCIMLRLYMTC-UHFFFAOYSA-N 452.943 6.346 50 10 JKGE Cc1c(F)ccc([C@H](Br)c2ccc(Br)cc2I)c1C 2142280110 YZDFKAAXGODBNM-HNNXBMFYSA-N 497.971 6.294 50 10 JKGE Cc1cc([C@H](Cl)c2ccc(Br)cc2I)c(F)cc1F 2142286487 DCOSTYVAKAMFFS-CQSZACIVSA-N 457.483 5.969 50 10 JKGE C[C@@H](Br)C12CCC(CC1)N2Cc1ccc(I)c(Cl)c1 2142949970 NUFGQKJYXJGXTR-CKQAKLJMSA-N 454.577 5.225 50 10 JKGE BrCc1cc(Br)ccc1N1CCc2cc(Br)ccc2C1 2149909163 HNEZMUAQTGZKDP-UHFFFAOYSA-N 460.007 5.669 50 10 JKGE ClCc1ccc(Br)c(Cl)c1N1CC[C@H]2[C@@H](CCCN2Cc2ccccc2)C1 2154366633 YWZVYCBTGFNXCA-ICSRJNTNSA-N 468.266 6.332 50 10 JKGE CCc1nc([C@@H](Br)c2csc3c(Br)cccc23)c(Br)s1 2169487246 CXQQXSUBOLGNSL-NSHDSACASA-N 496.087 6.930 50 10 JKGE Cc1c(CBr)cc(Cl)cc1S(=O)(=O)N(Cc1ccccc1)Cc1cccs1 2179859837 JUAWPICFWQVVPZ-UHFFFAOYSA-N 484.868 5.996 50 10 JKGE Cl[C@@H](c1ccc2c(c1)CCCC2)c1ccc(Br)cc1I 2207274143 ZAANLLMSBCEVDT-KRWDZBQOSA-N 461.568 6.261 50 10 JKGE COc1cc(F)c(Cl)cc1[C@H](Br)c1cccc(Br)c1Br 2207357450 NWQLALWOKKKVSC-CYBMUJFWSA-N 487.388 6.497 50 10 JKGE Cc1sc([C@@H](Cl)c2c(Cl)sc(Br)c2Cl)cc1Br 2213745891 CAIWJGBRRIFCJE-SSDOTTSWSA-N 455.451 7.278 50 10 JKGE Cc1sc([C@@H](Br)c2c(Cl)sc(Cl)c2Cl)cc1Br 2213746189 GXOGXHGQUZZECE-SSDOTTSWSA-N 455.451 7.325 50 10 JKGE Cc1sc(Br)c(C)c1[C@H](Br)c1c(Br)nn(C)c1C 2218802043 AUGOJLCTCXAKNJ-JTQLQIEISA-N 457.029 5.416 50 10 JKGE Cc1cc(Br)c([C@H](Br)C[C@@H]2CO[C@H](C)C2)c(C)c1Br 2227347744 KAHVJLLGINFNPN-IRUJWGPZSA-N 455.028 6.080 50 10 JKGE Cc1cc(Br)c([C@H](Br)[C@H]2CCO[C@@H](C)C2)c(C)c1Br 2227356100 PJYAQJIDJPDGIP-CCUNJIBTSA-N 455.028 6.080 50 10 JKGE Cc1cc(Br)c([C@H](Br)c2cc3c(cc2Br)OCC3)s1 2229329225 JIWWFFXSPOQYEO-CYBMUJFWSA-N 467.020 6.001 50 10 JKGE Clc1cc(Br)c([C@@H](Cl)c2c(Cl)cccc2Cl)c(Cl)c1Cl 2232511112 JAVLUPXHBFRZGK-GFCCVEGCSA-N 453.805 8.044 50 10 JKGE Cc1cc(Br)c([C@@H](Br)CC23CCC(CC2)C3)c(C)c1Br 2235601345 VTJATVXMVFGGKL-TVIZTDCDSA-N 465.067 7.235 50 10 JKGE C[C@@H]1C[C@H]1CCCCO[C@]1(CI)CCCN(C(=O)OC(C)(C)C)C1 2248463101 LWDLRBVHMRKOOL-MDZRGWNJSA-N 451.389 5.034 50 10 JKGE COC[C@]1(C)C[C@H]1[C@@H](Br)c1c(Br)sc(Br)c1Cl 2248741526 YPARAGQOBQWQKH-MJIFXRKESA-N 467.448 6.035 50 10 JKGE Brc1cc([C@H](Br)c2cc3sc(Br)cc3s2)cs1 2252900194 IEPQMZPMJAWGBL-NSHDSACASA-N 473.074 7.034 50 10 JKGE CC[C@@H]1CN(C(=O)OCc2ccccc2)[C@H](CC)CN1CC1(CBr)CC(F)C1 2254441843 BINBUNCQXWLHAF-QHCGNWPDSA-N 455.412 5.011 50 10 JKGE Cc1ccc([C@H](Br)c2c(F)cccc2I)c(C)c1Br 2267735893 GLLJTCFCTDIFKQ-HNNXBMFYSA-N 497.971 6.294 50 10 JKGE Fc1cc(Cl)c([C@H](Br)c2ccc(Cl)c(I)c2)cc1Cl 2268274045 NEXUTESLOAXDHI-CYBMUJFWSA-N 494.356 6.875 50 10 JKGE COc1ccc([C@H](Cl)c2sc(C)c(Br)c2C)cc1I 2269554228 RNOHUVSYGCZUBV-ZDUSSCGKSA-N 471.585 6.069 50 10 JKGE CCCCCCC[C@@H](Br)c1c(F)cc(Br)c(F)c1Br 2272739935 OHTBJKZINQTCQM-SECBINFHSA-N 462.998 7.286 50 10 JKGE Cc1cc(C)c([C@H](Br)c2c(F)cc(Br)c(F)c2Br)s1 2272844018 OPMGBCBCRORKPU-LLVKDONJSA-N 474.990 6.652 50 10 JKGE CC1(C)CCCC[C@@H]1[C@H](Br)Cc1cc(Br)cc(Br)c1 2277962426 HLKXVAHVSVQNSL-HUUCEWRRSA-N 453.056 6.734 50 10 JKGE CCc1nc([C@H](Br)c2c(Br)cc(C)c(F)c2C)c(Br)s1 2279159291 PBLHABJLVRMHKD-LLVKDONJSA-N 486.042 6.471 50 10 JKGE CCCCCCc1ccc([C@H](Br)c2scc(Br)c2Cl)s1 2279293607 PCOXRCAYSLXZCJ-ZDUSSCGKSA-N 456.696 7.833 50 10 JKGE C[C@@H](Cl)CN(CC(C)(C)C)C(=O)c1cc(Br)ccc1I 2288077776 FFDJIFOPMANWHQ-SNVBAGLBSA-N 472.592 5.169 50 10 JKGE Fc1ccc([C@H](Br)c2c(F)cc(Br)c(F)c2Br)cc1Cl 2288348563 GMFUPYWQCSWWGW-NSHDSACASA-N 493.342 6.767 50 10 JKGE CC(=O)c1cc2c(cc1NC=C(C#N)c1nc(-c3ccc(Cl)c(Cl)c3)cs1)OCO2 2295937275 KXAADSYPCZTYSF-UHFFFAOYSA-N 458.326 6.025 50 10 JKGE Cc1ccc(NC=C(C#N)c2nc(-c3cc4cc(Br)ccc4oc3=O)cs2)cc1 2296752647 ADHARROEILFLBF-UHFFFAOYSA-N 464.344 5.964 50 10 JKGE N#CC(=CNc1ccc(Br)cc1F)c1nc(-c2cccc3ccccc23)cs1 2296764761 MYANTKWLPVHQQL-UHFFFAOYSA-N 450.336 6.841 50 10 JKGE Clc1ccc(CNCCCCCCI)c(I)c1 2302325533 IGTKWISIEOGKKP-UHFFFAOYSA-N 477.555 5.030 50 10 JKGE N#CC(=Cc1ccccc1OCc1ccccc1Cl)C(=O)Nc1cc([N+](=O)[O-])ccc1Cl 2313681182 RFBIFJZDNFGTOU-UHFFFAOYSA-N 468.296 6.026 50 10 JKGE Cc1cccc(NC(=O)C(C#N)=C2S[C@H](Cc3ccccc3C)C(=O)N2c2ccc(C)c(C)c2)c1 2314592676 ZYZWCEWWAYLVSR-AREMUKBSSA-N 481.621 5.985 50 10 JKGE CCCCOc1ccccc1[C@H]1C(C#N)=C(N)Oc2cc(OC(=O)C=Cc3ccc(OC)cc3)ccc21 2314634793 LUULDDJEPQJEHY-GDLZYMKVSA-N 496.563 5.711 50 10 JKGE C[C@@H](C[C@@H](Br)c1c(Cl)cc(Br)c(F)c1Br)C1CC1 2315447689 QTKGPWHWYRLIQK-POYBYMJQSA-N 463.410 6.876 50 10 JKGE Cc1nn(Cc2ccccc2)c2c1[C@H](NC(=O)C(C#N)=Cc1ccc(Br)cc1)CCC2 2329659995 MKDJOSXYAVWMNZ-JOCHJYFZSA-N 475.390 5.103 50 10 JKGE N#CC(=C(O)CCCOc1ccc(Br)cc1Cl)c1nc(-c2ccc(F)cc2)cs1 2331344033 LRHJEOFFOQABAK-UHFFFAOYSA-N 493.785 7.017 50 10 JKGE COc1ccc(C=CC(O)=C(C#N)c2nc(-c3cc(C(C)(C)C)ccc3OC)cs2)cc1OC 2331350600 FGMWGWIFPMLILU-UHFFFAOYSA-N 476.598 6.639 50 10 JKGE COc1ccc(C(C)(C)C)cc1-c1csc(C(C#N)=C(O)[C@H]2CC(=O)N(Cc3ccccc3)C2)n1 2331350700 MWJSEKFVPTXTPS-IBGZPJMESA-N 487.625 5.958 50 10 JKGE Cc1ccc(C(C)(C)C)cc1-c1csc(C(C#N)=C(O)CNC(=O)c2ccc(Cl)cc2)n1 2331396310 KOPKISOMFHQPCT-UHFFFAOYSA-N 466.006 6.292 50 10 JKGE COc1ccc(-c2csc(C(C#N)=C(O)c3ccc(-n4cccc4)cc3)n2)c(OC)c1OC 2331412968 XRACLNZZHCLSPJ-UHFFFAOYSA-N 459.527 5.576 50 10 JKGE CCCCCCOc1ccc(C=C(C#N)c2nc(-c3cc(C(C)(C)C)ccc3C)cs2)cc1OC 2331478301 HIZRHCDXSZUXIE-UHFFFAOYSA-N 488.697 8.448 50 10 JKGE Fc1cc(Cl)c(Br)c(Cl)c1[C@@H](Cl)c1scc(Br)c1Cl 2335279169 ISFRMEMVTJYRMZ-SNVBAGLBSA-N 487.830 7.701 50 10 JKGE Fc1cc(Cl)c(Br)c(Cl)c1[C@@H](Cl)c1ccc(I)cc1 2335293613 JCGZHGPOFJYSTO-LBPRGKRZSA-N 494.356 6.828 50 10 JKGE Brc1cc(OCc2ccccc2)ccc1[C@H](Br)[C@H]1C[C@@H]1c1ccccc1 2336042552 AIQFUXZXJAHXCI-GIWBLDEGSA-N 472.220 7.268 50 10 JKGE Brc1cc(OCc2ccccc2)ccc1[C@@H](Br)[C@@H]1CCn2ccnc2C1 2336080485 ZJKATVRYKOZXKV-IERDGZPVSA-N 476.212 5.923 50 10 JKGE C[C@]12C[C@H](C1)[C@@H]([C@@H](Br)c1cc(Br)c(Br)cc1F)CO2 2337696824 FHRWLYWFKZFZEI-RTZAZLISSA-N 456.975 5.602 50 10 JKGE Cc1cc(Br)c(F)c(Br)c1[C@H](Br)[C@]12CCCC[C@@H]1C2 2339652083 VTILTZBBRRTJCU-NKZPBKNFSA-N 455.003 6.675 50 10 JKGE FC(F)(F)[C@H]1C[C@@H]([C@H](Br)Cc2cc(Br)cc(Br)c2)C1 2352739279 HNLOFXHSJJCLMJ-VDDIYKPWSA-N 464.945 6.106 50 10 JKGE Cc1cc(Br)c(F)c(Br)c1[C@@H](Cl)c1nn(C)c(Cl)c1Cl 2365192392 CAFWCZHDIDCODI-MRVPVSSYSA-N 465.375 6.028 50 10 JKGE Cc1cc(Br)c(F)c(Br)c1[C@H](Br)C1[C@@H]2[C@H]3CC[C@@H](C3)[C@@H]12 2365214887 FICPDNVJRYEANT-BEFNXQRXSA-N 467.014 6.387 50 10 JKGE Cc1cc(Br)c(F)c(Br)c1[C@H](Br)C12CC(C)(C1)O[C@@H]2C 2365224242 WERQBELNHHPMTI-RWFXPPGJSA-N 471.002 6.053 50 10 JKGE COc1cc(Cl)c(CBr)c(Oc2ccc(Br)cc2Br)c1 2365788969 WIVFVONOHWMSDR-UHFFFAOYSA-N 485.397 6.561 50 10 JKGE Clc1ccc(CN2C[C@@H](CBr)C3(CCCC3)C2)c(I)c1 2366702779 VMPZYMRUYQMUAV-CYBMUJFWSA-N 468.604 5.332 50 10 JKGE Cc1cccc(C[C@H](CBr)Cc2ccc(Cl)cc2I)c1 2366712426 OOFFAFQPYIUNBD-AWEZNQCLSA-N 463.584 6.049 50 10 JKGE Cc1c(NC(=O)/C(C#N)=C/c2ccc(-c3cccc(Cl)c3Cl)o2)c(=O)n(-c2ccccc2)n1C 23778974 POUOBHCOZQYEJM-DTQAZKPQSA-N 493.350 5.597 50 10 JKGE COc1ccc(/C(C#N)=C\c2ccc(OC(=O)C34CC5CC(CC(C5)C3)C4)c(OC)c2)cc1OC 31902107 WCEUNOVTSPBYBQ-KSEXSDGBSA-N 473.569 5.898 50 10 JKGE CCN(CC)c1ccc(/C=C2/CCC(/C=C(/C#N)c3nc4ccccc4s3)=C2N2CCOCC2)cc1 33479377 ZTJOUKDDAYRXCL-WPONEWDJSA-N 496.680 6.513 50 10 JKGE CCOC(=O)/C(C#N)=C/C=C(/C=C\N(C)CC(=O)c1ccc(-c2ccccc2)cc1)c1ccccc1 34782225 ZCSYLYHOHHREAE-HQBGEPPNSA-N 476.576 6.078 50 10 JKGE CC(C)(CCl)C(=O)Nc1cccc([C@@H]2SCC(=O)N2c2ccc(C(F)(F)F)cc2)c1 35927060 AQBFNWPONPXZIY-SFHVURJKSA-N 456.917 5.688 50 10 JKGE CSc1ccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)COc4ccc(Cl)cc4C)ccc32)cc1 38682532 OPEDAURUYNUKFU-RUZDIDTESA-N 492.984 5.573 50 10 JKGE CCCCOc1ccccc1[C@@H]1C(C#N)=C(N)Oc2cc(OC(=O)c3ccc([N+](=O)[O-])cc3)ccc21 38682785 KKZKRJIYHCFSMJ-VWLOTQADSA-N 485.496 5.211 50 10 JKGE C=CCOc1cccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4ccccc4OCCCC)ccc32)c1 40529924 UNAZHBJUHGDJTN-NDEPHWFRSA-N 496.563 5.868 50 10 JKGE COC(=O)c1c(NC(=O)/C(C#N)=C/c2ccc(Cl)cc2)sc(C)c1-c1ccc(F)cc1 40939428 PZHNBGVPTHNZEC-LFIBNONCSA-N 454.910 5.848 50 10 JKGE Cc1nn(Cc2ccccc2Cl)c(C)c1/C=N/NC(=O)CSCc1ccccc1Cl 59147625 JOUBHWSDIIIAFQ-OPEKNORGSA-N 461.418 5.239 50 10 JKGE CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(C)cc2C)ccc1OCc1ccc(Cl)cc1Cl 59201869 VQMHVWOACXLGOD-CIAFOILYSA-N 495.406 7.134 50 10 JKGE COc1cc(/C=N/NC(=O)c2cc3ccccc3o2)cc(Cl)c1OCc1ccc([N+](=O)[O-])cc1 59304137 ROZNUNHPTAADHA-LGJNPRDNSA-N 479.876 5.346 50 10 JKGE COc1cc(/C=N\NC(=O)c2cccc(F)c2)ccc1Oc1ccc(C(F)(F)F)cc1[N+](=O)[O-] 59462966 DEDTVEOJVDRLPQ-PPDIBHTLSA-N 477.370 5.318 50 10 JKGE N#CCCn1cc(/C=C(/C#N)C(=O)OCc2ccc(Br)cc2)c(-c2cccc(Cl)c2)n1 96449018 MJSDGRZIRXYRJH-WQRHYEAKSA-N 495.764 5.530 50 10 JKGE CCN1C(=O)C(C#N)=C(C)/C(=C\c2cn(-c3ccccc3)nc2-c2ccc(OC(C)C)cc2C)C1=O 101332601 WPTQPBXILBILKC-MFKUBSTISA-N 480.568 5.247 50 10 JKGE COc1cc(Br)c([C@H](Br)c2cc(Br)ccc2F)cc1OC 109860418 OUXYDSDSELDHKO-HNNXBMFYSA-N 482.969 5.852 50 10 JKGE Cc1cc(Br)c([C@@H](Cl)c2cc(Br)ccc2C)cc1Br 128636767 QNGYAENFLQGCAE-HNNXBMFYSA-N 467.426 6.919 50 10 JKGE C[C@H]1Cc2cc([C@H](Br)c3cc(Br)c(Br)s3)ccc2O1 128867582 UZEWQRSHEXLNOO-CPFSXVBKSA-N 467.020 6.081 50 10 JKGE CCCCNC(=O)/C(C#N)=C\c1ccc(OC(=O)/C(=C\c2ccccc2)c2ccccc2)cc1 207112724 LFOYVVQNSYDWOB-JQINCPKDSA-N 450.538 5.656 50 10 JKGE CCOC(=O)c1c(NC(=O)/C(C#N)=C\c2ccc(-c3ccccc3F)o2)sc2c1CC[C@@H](C)C2 209397946 MINYCYDXONVDSI-NWCRWOLESA-N 478.545 5.994 50 10 JKGE CCOC(=O)c1c(NC(=O)/C(C#N)=C\c2ccc(-c3ccc(C)cc3[N+](=O)[O-])o2)sc(C)c1C 209400475 DQAALAVGACNSER-WJDWOHSUSA-N 479.514 5.564 50 10 JKGE Brc1cc(Br)cc([C@@H](Br)c2ccc(Br)s2)c1 232482682 VKXGJACQWURFPG-LLVKDONJSA-N 489.852 6.520 50 10 JKGE CCOc1ccc([C@H](Br)c2cccc(C)c2Br)c(Br)c1 233791776 KRIYFRFZNWVLQJ-INIZCTEOSA-N 463.007 6.403 50 10 JKGE Cc1sc(Br)cc1[C@@H](Cl)c1cc(Br)cc(Br)c1 235818069 GFZUAYGKIBEQBZ-LBPRGKRZSA-N 459.428 6.672 50 10 JKGE Fc1ccc([C@H](Cl)c2cc(Br)c(Cl)s2)c(I)c1 236262663 KQIVVSTXJPWHKL-JTQLQIEISA-N 465.940 6.236 50 10 JKGE CC[C@@H](Cl)C(=O)O[C@H]1CC[C@@]2(C)C(=CC[C@H]3[C@H]2CC[C@]2(C)[C@H]([C@H](C)CCCC(C)C)CC[C@H]32)C1 253530052 AYVNXDFYJLGZKZ-FHSFFMMWSA-N 491.200 8.957 50 10 JKGE biogenic O=C(NN=Cc1ccc(Oc2ccccc2)cc1)c1ccc(CSCc2ccccc2)cc1 254867097 MIJTUMLZHCJUNL-UHFFFAOYSA-N 452.579 6.676 50 10 JKGE C[C@H](Cl)c1nc2cc(I)c(F)cc2n1[C@H]1CCCN(Cc2ccccc2)C1 312146304 QDVNTLPIQXSZCG-HOCLYGCPSA-N 497.783 5.917 50 10 JKGE Fc1c(Cl)cccc1COc1c(Br)cc(Br)cc1CBr 312617780 HKHCORFMWAREOR-UHFFFAOYSA-N 487.388 6.478 50 10 JKGE Fc1ccc(Br)c([C@@H](Cl)c2cc(I)cc3c2OCC3)c1 380187212 DHCKSEIVRDDVNT-CQSZACIVSA-N 467.503 5.456 50 10 JKGE CC1CCC(CC(CBr)(CBr)c2cccc(Br)c2)CC1 380535203 ALVOLQWAPXXAIC-UHFFFAOYSA-N 467.083 6.693 50 10 JKGE Cl[C@@H](c1scc(Br)c1Br)c1ccc(Br)c2ccccc12 705467973 YGFLFXGMUALPMY-CQSZACIVSA-N 495.461 7.517 50 10 JKGE FC(F)(F)c1csc([C@@H](Br)CC(F)(F)C(F)(F)F)c1Br 713187792 MKVGYZPAWAKDBL-BYPYZUCNSA-N 455.990 6.553 50 10 JKGE CC1(C)[C@H](OCc2ccccc2)C[C@H]1n1c(CCl)nc2cc(Br)c(F)cc21 718077964 LMHKXCZCJUYCPZ-RTBURBONSA-N 451.767 6.233 50 10 JKGE Cc1ccc([C@H](Br)c2cc(F)ccc2Br)c(C)c1Br 719534367 HZWLGZGMPJTOMQ-HNNXBMFYSA-N 450.971 6.452 50 10 JKGE C[C@H](O[C@@](C)(CI)c1ccccc1Br)C1CCCCC1 719735843 MCZYCANMEMAVLE-GUYCJALGSA-N 451.186 6.085 50 10 JKGE Fc1cccc(F)c1C[C@H](Cl)c1ccc(I)c(Br)c1 721572719 MVZQUOKNAKTYJV-NSHDSACASA-N 457.483 5.855 50 10 JKGE O=C(N[C@@H](CCBr)C1CCCC1)c1cc(Cl)ccc1I 725037592 ODPMQYCYVCCAJK-AWEZNQCLSA-N 470.576 5.018 50 10 JKGE COc1cc(C=NNC(=O)c2ccccc2)cc(Br)c1OCc1ccc(Cl)cc1 1084043203 CPEIRCRLELCUIH-UHFFFAOYSA-N 473.754 5.454 50 10 JKGE COc1cccc(C(CSc2nc3ccccc3s2)=NNC(=O)c2ccccc2Cl)c1 1084121222 YUFZUZTWFHTKJD-UHFFFAOYSA-N 468.003 5.885 50 10 JKGE CCc1ccc(OCC(=O)NN=Cc2ccccc2OCc2ccccc2)c(Br)c1 1084168338 KMDCKBMZKWBXBZ-UHFFFAOYSA-N 467.363 5.120 50 10 JKGE CC(=O)c1ccc(-c2ccc(C=NNC(=O)c3cc4cc(Br)ccc4o3)o2)cc1 1084322863 UNDOFFSPLVHEJA-UHFFFAOYSA-N 451.276 5.422 50 10 JKGE CCOc1ccc(C(=O)NN=Cc2cc(Cl)c(OCc3ccccc3Cl)c(OCC)c2)cc1 1084633184 XXMFVWOSNSIXJZ-UHFFFAOYSA-N 487.383 6.134 50 10 JKGE C/C(=N/NC(=O)c1cc2ccccc2cc1O)c1ccc2c(c1)[C@@H]1C=CC[C@H]1[C@@H](c1ccccc1)N2 1615006949 TVKWLAPEUOAAHY-MGPXANOESA-N 473.576 6.526 50 10 JKGE CCCc1nn(Cc2ccc(Cl)c(Cl)c2)c2c1[C@@H](c1ccc(C(C)(C)C)cc1)C(C#N)=C(N)O2 1865682249 JWSNDWCDIAWIMK-QHCPKHFHSA-N 495.454 6.706 50 10 JKGE CCc1nn(Cc2ccc(Cl)c(Cl)c2)c2c1[C@H](c1cccc(Cl)c1)C(C#N)=C(N)O2 1865683205 AFPPHLKQDDOTJJ-LJQANCHMSA-N 459.764 5.672 50 10 JKGE CCCCOc1ccc([C@H]2C(C#N)=C(N)Oc3c2c(CC)nn3Cc2ccc(Cl)c(Cl)c2)cc1 1865690315 OISGRLHAYJQXPB-QHCPKHFHSA-N 497.426 6.198 50 10 JKGE CCCCOc1ccc([C@H]2C(C#N)=C(N)Oc3c2c(-c2ccccc2)nn3Cc2cccc(F)c2)cc1 1865690655 YEVBFZXRFKTTKX-SANMLTNESA-N 494.570 6.135 50 10 JKGE CCCOc1cccc([C@@H]2C(C#N)=C(N)Oc3c2c(-c2ccccc2)nn3Cc2ccc(C)cc2)c1 1865692548 CBZGYBQDUWTYQJ-AREMUKBSSA-N 476.580 5.914 50 10 JKGE CCCOc1c(OC)cccc1[C@H]1C(C#N)=C(N)Oc2c1c(CC)nn2-c1cccc2ccccc12 1865693427 OFJMEGFPKIKMEG-VWLOTQADSA-N 480.568 5.603 50 10 JKGE CCn1nc(C(F)(F)F)c2c1OC(N)=C(C#N)[C@H]2c1ccccc1OCc1ccccc1Cl 1865703708 ZYODZSWHEOMQCJ-GOSISDBHSA-N 474.870 5.372 50 10 JKGE CCc1ccc([C@H]2C(C#N)=C(N)Oc3c2c(-c2ccc(OC)cc2)nn3-c2ccc(Cl)cc2)cc1 1865709272 SORKEYVKWRCUKU-DEOSSOPVSA-N 482.971 5.982 50 10 JKGE COc1ccccc1[C@@H]1C(C#N)=C(N)Oc2c1c(-c1ccccc1)nn2-c1cccc2ccccc12 1865709782 GSSKTMBNSNNVPJ-AREMUKBSSA-N 470.532 5.919 50 10 JKGE N#CC1=C(N)Oc2c(c(-c3ccccc3)nn2Cc2ccc(Cl)c(Cl)c2)[C@H]1c1cccc(F)c1 1865711059 OTPLYBIVQSBCIW-QFIPXVFZSA-N 491.353 6.262 50 10 JKGE CCc1nn(Cc2cccc(Cl)c2)c2c1[C@H](c1ccc(Br)cc1)C(C#N)=C(N)O2 1865714979 SBOKALOUZVNKGY-LJQANCHMSA-N 469.770 5.128 50 10 JKGE Cc1nc(-c2ccc(Cl)c(Cl)c2)ccc1C(=O)NNC(=O)c1ccccc1SCC(C)C 1865759098 ICQXMQUMGVFZGD-UHFFFAOYSA-N 488.440 6.187 50 10 JKGE Cc1cc(OC(=O)c2ccc(-c3ccc(Cl)c(Cl)c3)nc2C(F)(F)F)ccc1[N+](=O)[O-] 1865787350 BDKLZXLEPKQOON-UHFFFAOYSA-N 471.218 6.510 50 10 JKGE CC[C@@](C)(NC(=O)[C@@H](c1ccc(Cl)c(Cl)c1)C(C)C)C(=O)Nc1ccc(SC#N)cc1 1866997205 RRIAVAIRWZRBTL-NFBKMPQASA-N 478.445 6.230 50 10 JKGE Cc1nc(Nc2ccc(SC#N)cc2)cc(N2CCC[C@@H](C(=O)CCCc3ccccc3)C2)n1 1868480049 DRGONNJETHWCMZ-JOCHJYFZSA-N 471.630 5.910 50 10 JKGE COc1cc(/C=C(\C#N)c2nc3ccccc3n2C)ccc1OCc1c(Cl)ccc(Cl)c1Cl 1872726777 JVQOBLBJYIELNQ-LFIBNONCSA-N 498.797 7.185 50 10 JKGE CCCCc1ccc(-c2csc(/C(C#N)=C(\O)c3cc(C(F)(F)F)cc(C(F)(F)F)c3)n2)cc1 1872745084 VNJVQTJQKHSGTJ-VZCXRCSSSA-N 496.476 8.140 50 10 JKGE N#C/C(=C(O)\C=C\c1ccc(Cl)cc1Cl)c1nc(-c2ccc3c(c2)CCCC3)cs1 1872745376 KLSPJJATSWBFFD-FAUWKVAPSA-N 453.394 7.502 50 10 JKGE Cc1ccc(C)c(N2C(=O)c3ccc(/C(O)=C(\C#N)c4nc(C(C)(C)C)cs4)cc3C2=O)c1 1872747573 JCQXIAMTERKGBP-QOCHGBHMSA-N 457.555 5.808 50 10 JKGE COc1ccc(OC/C(O)=C(\C#N)c2nc(-c3ccc(OC)c(F)c3)cs2)c(C(C)(C)C)c1 1872752781 RUAJTRPJXLFYFV-FXBPSFAMSA-N 468.550 6.136 50 10 JKGE Cc1ccc(C(C)(C)C)cc1-c1csc(/C(C#N)=C(\O)c2ccc3nc(C)c(C)nc3c2)n1 1872756300 WTCQCNVWUJTCGV-DAFNUICNSA-N 454.599 6.926 50 10 JKGE COc1cccc(-c2csc(/C(C#N)=C/c3ccc(OCc4ccc(Cl)cc4)cc3)n2)c1 1872781968 ZSZLOKISLBOBNR-FYJGNVAPSA-N 458.970 7.115 50 10 JKGE C[C@@H](CCBr)N(Cc1ccccc1)Cc1sccc1I 1888203320 KPVXOQBMUNLCCX-ZDUSSCGKSA-N 464.210 5.528 50 10 JKGE Clc1cscc1[C@H](Br)c1ccc(OCc2ccccc2)cc1Br 1899866557 XGMVKCNSSOZTHK-GOSISDBHSA-N 472.629 7.227 50 10 JKGE O=C(N[C@H](CCBr)COCc1ccccc1)c1ccccc1OCc1ccccc1 1902791684 AXEBWNGUXMSZMJ-JOCHJYFZSA-N 468.391 5.366 50 10 JKGE FC(F)(F)[C@@H]1C[C@@H]1[C@H](Br)c1c(Br)sc(Br)c1Cl 1905844073 RLZBHKBSRYVVQL-LWKDLAHASA-N 477.365 6.561 50 10 JKGE Brc1ccc(C[C@H]2CCCCCCCC[C@@H]2Br)c(Br)c1 1913418024 ZMIINTLEKBAUKZ-CJNGLKHVSA-N 467.083 7.268 50 10 JKGE C[C@@H](c1cccs1)N(Cc1ccccc1)c1cccc(Br)c1CBr 1914841217 AMMOADLJMOJCTK-HNNXBMFYSA-N 465.254 7.173 50 10 JKGE Cc1c(Br)sc([C@@H](Br)[C@H]2C(C)(C)C2(F)F)c1Br 1922935832 SPKLULSYBPQQCR-SVRRBLITSA-N 452.984 6.309 50 10 JKGE Cl[C@@H](c1c(Br)sc(Br)c1Br)C1CC2(CCCC2)C1 1924568562 ILKWEMZKUBVMBB-SNVBAGLBSA-N 477.487 7.286 50 10 JKGE Cc1cc([C@H](Cl)c2c(Br)sc(Br)c2Br)ccc1F 1924586158 UWUMIUZJGISZIY-JTQLQIEISA-N 477.418 6.811 50 10 JKGE Cl[C@H](c1c(Br)sc(Br)c1Br)C1CCC2(CC1)CC2 1924607880 AGYMGJSXEDJDAX-JTQLQIEISA-N 477.487 7.286 50 10 JKGE CC(CBr)(CBr)Cc1cccc(Br)c1Br 1929577087 VXZFLKAYLRLJBP-UHFFFAOYSA-N 463.833 5.550 50 10 JKGE ClCc1c(Cl)nc(Cl)n1CC1(N(Cc2ccccc2)Cc2ccccc2)COC1 1962508161 CMZMWMYWBXALIG-UHFFFAOYSA-N 450.797 5.400 50 10 JKGE Brc1cc([C@H](Br)[C@]23CCCC[C@@H]2OCC3)sc1Br 2031753552 ZZQJJPYBDNEZFN-GVXVVHGQSA-N 459.041 6.058 50 10 JKGE C[C@@H]1OC2(C)CC1([C@H](Cl)c1c(Br)sc(Br)c1Br)C2 2038996106 HXFJFQMCWBZIOP-HWGYLAOUSA-N 479.459 6.273 50 10 JKGE Cc1c(Br)sc([C@@H](Br)[C@@H]2CC3(CCC3)CO2)c1Br 2047662995 HYYSQXRDLYJXSH-WPRPVWTQSA-N 459.041 5.977 50 10 JKGE C[C@]1([C@@H](Cl)c2c(Br)sc(Br)c2Cl)CCCCC1(F)F 2111645922 GMVKOJYSBVAQMR-GZMMTYOYSA-N 457.005 7.422 50 10 JKGE Fc1cc(Br)ccc1CC[C@H](Br)c1ccc(Br)cc1 2113490910 IZGBGLTYLLFZEA-AWEZNQCLSA-N 450.971 6.420 50 10 JKGE CCc1cc([C@H](Br)c2csc(Br)c2Br)c(F)cc1F 2118739491 NYMOFKADBJMRHW-NSHDSACASA-N 474.990 6.598 50 10 JKGE CC(C)CN(Cc1ccccc1)S(=O)(=O)c1c(CBr)sc2ccccc12 2123247892 TUCUCVLMRFLYJA-UHFFFAOYSA-N 452.439 5.643 50 10 JKGE Cc1cc([C@@H](Br)c2ccc(Br)cc2I)c(C)cc1F 2142291786 OOEIXPCTBJFVKX-HNNXBMFYSA-N 497.971 6.294 50 10 JKGE Fc1cc(Br)c([C@H](Cl)Cc2ccccc2I)c(F)c1F 2143868844 SLVXLLDSMAMCKJ-SECBINFHSA-N 475.473 5.994 50 10 JKGE C[C@H]1Cc2cc([C@@H](Br)c3ccccc3Br)cc(Br)c2O1 2146629495 RORDWEQTFDFQCW-BJOHPYRUSA-N 460.991 6.019 50 10 JKGE BrC[C@H]1CC2(CCCC2)CN1Cc1cc(Br)ccc1Br 2175149476 JMQFDDUBBXZTIR-CQSZACIVSA-N 466.055 5.741 50 10 JKGE CCn1cc(Br)c(C[C@H](CBr)Cc2cccc(Br)c2)n1 2181155259 PJVKVEVFAYOOGQ-GFCCVEGCSA-N 465.027 5.224 50 10 JKGE Fc1cc(Br)cc(CBr)c1OCc1ncc(Br)cc1Cl 2183582261 WSEKEMONHFOKTN-UHFFFAOYSA-N 488.376 5.873 50 10 JKGE Cc1c(Br)sc([C@@H](Br)C2CC(C)(C)CC(C)(C)C2)c1Br 2193418685 FZWBCTCFYOIYNG-LBPRGKRZSA-N 487.139 7.870 50 10 JKGE O=C(c1cc(Br)c(Br)s1)N1CC[C@@H]2CC[C@@H](Br)C[C@H]2C1 2204095027 LRFFHNIBAQVXES-LPEHRKFASA-N 486.067 5.299 50 10 JKGE CC(C)([C@@H](Br)c1cc(Br)c(Br)cc1F)C(F)(F)F 2218598731 VWYHOPBFNNYWAT-VIFPVBQESA-N 456.897 6.375 50 10 JKGE Cn1cc([C@H](Cl)c2cc(Br)c(Br)cc2F)nc1Br 2218606778 VKKLEDDFEOLHCT-SNVBAGLBSA-N 461.354 5.175 50 10 JKGE Cc1cc(Cl)c(Br)cc1[C@@H](Br)c1cc(Br)c(C)s1 2218967518 DYUAQUIHTHAMHD-CYBMUJFWSA-N 473.455 7.028 50 10 JKGE CC(C)(C)OC(=O)NC[C@@H]1CCN(CCCCCI)c2ccccc21 2220213045 BOSUPQHCZZROJF-INIZCTEOSA-N 458.384 5.110 50 10 JKGE CC(C)(F)[C@](C)(F)[C@H](Br)c1c(Br)cc(Cl)c(Cl)c1Cl 2224304600 KXIRJYCCBDPIMF-ZYHUDNBSSA-N 459.383 7.322 50 10 JKGE Cc1cc(Br)c([C@@H](Br)c2cc(Br)sc2C)c(C)c1Cl 2224313746 VKLQKDJBGKLNAG-ZDUSSCGKSA-N 487.482 7.336 50 10 JKGE Fc1cc(Br)c(Br)cc1[C@@H](Br)C1CCC2(CC1)CC2 2225617830 VYINTMTVMNGZBQ-AWEZNQCLSA-N 455.003 6.757 50 10 JKGE Cc1cc(Br)c([C@@H](Br)[C@H]2[C@H]3CCCC[C@H]32)c(C)c1Br 2227351348 LNODGVCFZVHAHI-YHYOWMERSA-N 451.040 6.701 50 10 JKGE Cc1cc(Br)c([C@@H](Br)c2cc(Cl)n(C)n2)c(C)c1Br 2227370081 PGQMOOHCQNDFNO-ZDUSSCGKSA-N 471.418 5.700 50 10 JKGE Cc1c(Br)csc1[C@H](Br)c1ccc2c(c1Br)CCO2 2229743351 BPKZJXIVSSBQER-CYBMUJFWSA-N 467.020 6.001 50 10 JKGE Cc1oc(Br)cc1[C@H](Br)c1ccc2c(c1Br)CCO2 2229746990 KPIFPWSCKRQNNJ-CQSZACIVSA-N 450.952 5.532 50 10 JKGE Cc1c(F)ccc([C@@H](Cl)c2cc(I)ccc2Br)c1F 2231076907 SVXOGEQCVAZMGG-CYBMUJFWSA-N 457.483 5.969 50 10 JKGE CO[C@@H]1CCC[C@H]([C@H](Br)c2c(Br)cc(Cl)c(Cl)c2Cl)C1 2232509992 KQROGBIIFXXOLA-SXMVTHIZSA-N 465.440 7.051 50 10 JKGE Clc1cc(Br)c([C@H](Br)C[C@@H]2CCC[C@@H]3C[C@H]23)c(Cl)c1Cl 2232512644 OFJCRQKUVKYVMQ-XFWSIPNHSA-N 461.452 7.672 50 10 JKGE Cc1cc(Br)c([C@@H](Cl)c2c(Br)sc(C)c2C)c(C)c1Cl 2232520601 PKICHVRYRVTGIQ-CQSZACIVSA-N 457.058 7.488 50 10 JKGE Cc1ccc([C@@H](Br)c2c(Br)cc(C)c(Br)c2C)c(F)c1 2235603048 GURITDUQAPEPTC-MRXNPFEDSA-N 464.998 6.760 50 10 JKGE Cc1cccc([C@@H](Br)c2ccc([C@@H]3CCOC3)s2)c1I 2240431735 LWZGWGVYWSZTNG-IAQYHMDHSA-N 463.178 5.649 50 10 JKGE CCc1cc([C@@H](Br)c2cccc(OCc3ccccc3)c2)sc1Br 2248057701 RVNPIYALQRGJCH-IBGZPJMESA-N 466.238 7.136 50 10 JKGE Cl[C@H](Cc1cc(Br)cc(Br)c1)c1csnc1Br 2252830918 IPUIREGQGSAZAA-SNVBAGLBSA-N 460.416 5.953 50 10 JKGE CCN(C[C@](C)(CI)OCCc1ccccc1C)C(=O)OC(C)(C)C 2263387889 QIGYZNIQZBFNET-FQEVSTJZSA-N 461.384 5.005 50 10 JKGE CCCCc1ccc([C@H](Br)c2cc(Br)ccc2Br)s1 2264368298 HLGWSVCPKWINBF-OAHLLOKOSA-N 467.064 7.100 50 10 JKGE COc1ccc([C@@H](Cl)c2cccc(Br)c2Cl)cc1I 2269543458 IQNVENIJYRVJNU-CYBMUJFWSA-N 471.947 6.044 50 10 JKGE Cc1nscc1C(C#N)=C(Cl)c1ccc(Br)cc1I 2271414146 WDNFKTRWFFAVOH-UHFFFAOYSA-N 465.541 5.449 50 10 JKGE CC1(COc2c(Br)cc(Br)cc2CBr)CC(F)(F)C1 2278134122 GWUCPVWZOGCRCG-UHFFFAOYSA-N 462.954 5.921 50 10 JKGE Fc1cc(Br)c(F)c(Br)c1[C@H](Br)C1C[C@H]2CCC[C@@H]2C1 2288485498 YHAQTSNLRRRFJC-OTPXZMOZSA-N 472.993 6.752 50 10 JKGE Fc1cc(Br)c(F)c(Br)c1[C@H](Br)CC(C1CC1)C1CC1 2288496539 IHUPNTQYOVPIQH-SNVBAGLBSA-N 472.993 6.752 50 10 JKGE N#CC(=Cc1cccc(Oc2ccccc2)c1)c1nc(-c2ccc(-c3ccccc3)cc2)cs1 2293345686 CALVSYQPFUCQKR-UHFFFAOYSA-N 456.570 8.334 50 10 JKGE COc1c(Br)cc(Cl)cc1[C@H](Cl)c1cccc(Cl)c1Br 2295278303 AHDSHYOGHQHMDL-CYBMUJFWSA-N 459.392 6.855 50 10 JKGE Fc1cc(F)c([C@@H](Br)c2cc3sc(Br)cc3s2)cc1Cl 2295408531 GKGLIBSZMMFHKP-CYBMUJFWSA-N 458.574 7.141 50 10 JKGE CCOC(=O)c1c(-c2ccc(Cl)cc2)csc1NC(=O)C(C#N)=Cc1ccccc1Cl 2296500292 AWMKCVFASAZEGK-UHFFFAOYSA-N 471.365 6.444 50 10 JKGE C[C@H](COc1ccccc1)Cn1cc(C=C(C#N)C(=O)Nc2nc3ccccc3s2)c2ccccc21 2297500385 QMEOXNBTCDSPFJ-FQEVSTJZSA-N 492.604 6.512 50 10 JKGE FC(F)([C@H]1CCOC1)[C@@H](Br)c1sc(Cl)cc1I 2300949383 LHOHCPFXGXKQGC-CDUCUWFYSA-N 457.505 5.114 50 10 JKGE CC[C@H](Br)CN(Cc1ccccc1)C(=O)c1cc(F)c(Br)cc1O 2301385237 RRTXOHXQUCAMFU-ZDUSSCGKSA-N 459.153 5.110 50 10 JKGE N#CC(=Cc1cn(Cc2ccc(Br)cc2)c2ccccc12)C(=O)NCc1cccs1 2313540450 AGZPOHIQNGAGAN-UHFFFAOYSA-N 476.399 5.737 50 10 JKGE COc1cc(C=C(C#N)C(=O)Nc2cccc(Cl)c2Cl)ccc1OCc1ccccc1Cl 2313571446 WPJLKYMXPFABLA-UHFFFAOYSA-N 487.770 6.780 50 10 JKGE CCc1ccc(N2C(=O)[C@@H](Cc3ccc(C)c(C)c3)SC2=C(C#N)C(=O)NCc2ccccc2)cc1 2314593508 OFMHUALCDQKMAW-HHHXNRCGSA-N 495.648 5.609 50 10 JKGE C[C@@H]1CCC[C@H]1[C@@H](Br)c1c(Cl)cc(Br)c(F)c1Br 2315450061 XVXKJFSMGICIIL-OPVBNTEQSA-N 463.410 6.876 50 10 JKGE Cc1nc(Br)c([C@@H](Cl)c2cc(Br)ccc2OCc2ccccc2)n1C 2315600330 QAKMGUASCBDMCF-KRWDZBQOSA-N 484.619 6.161 50 10 JKGE CCOc1ccc([C@@H](Br)c2cnsc2Br)cc1Br 2315640414 RVDFAYWEYSDWMZ-LLVKDONJSA-N 455.997 5.551 50 10 JKGE Cc1scc([C@@H](Br)c2cc(C3CC3)c(Br)s2)c1Br 2320484092 BKYUZIICFOFDJK-GFCCVEGCSA-N 471.077 7.005 50 10 JKGE C[C@@H](Oc1ccc(Cl)cc1Cl)C(=O)Oc1cccc(C=C(C#N)c2cccc(Cl)c2)c1 2320506572 MLIVTUCRSRNLOC-OAHLLOKOSA-N 472.755 7.084 50 10 JKGE CCCOc1ccc(-c2csc(C(C#N)=C(O)C=Cc3ccc(OCc4ccccc4)cc3)n2)cc1 2331318258 PFUYJGFCMPIWFE-UHFFFAOYSA-N 494.616 7.684 50 10 JKGE COc1ccc(Cl)cc1N1C[C@H](C(O)=C(C#N)c2nc(-c3cc(C)ccc3C)cs2)CC1=O 2331319632 RUKYSABPYPCFBS-MRXNPFEDSA-N 479.989 5.935 50 10 JKGE COc1ccc(-c2csc(C(C#N)=C(O)COc3cc(C)c(Cl)c(C)c3)n2)c(C)c1C 2331362179 GGEOAAYSQFNHJX-UHFFFAOYSA-N 454.979 6.577 50 10 JKGE COc1c(Cl)cc(Cl)cc1-c1csc(C(C#N)=C(O)[C@H]2CC(=O)N(C(C)(C)C)C2)n1 2331362908 YROGNUCWFLLYGI-NSHDSACASA-N 466.390 5.565 50 10 JKGE COc1cc(OC)c(-c2csc(C(C#N)=C(O)C=Cc3cccc([N+](=O)[O-])c3)n2)cc1Cl 2331378750 XVQDTXLKNMUPSR-UHFFFAOYSA-N 469.906 5.895 50 10 JKGE COc1c(Cl)cc(-c2csc(C(C#N)=C(O)c3cccc(Oc4ccccc4)c3)n2)cc1Cl 2331397515 KSRHZNAWGIMQBD-UHFFFAOYSA-N 495.387 7.868 50 10 JKGE CC(C)(C)[C@H](C[C@@H](Br)c1cc(Br)ccc1OCc1ccccc1)C(F)F 2336055903 DQADOLBODNPILN-QZTJIDSGSA-N 490.226 7.782 50 10 JKGE Fc1cc(F)c([C@@H](Br)c2c(Br)sc(Br)c2Cl)cc1F 2336121418 ODMFFWRUWKSEOC-MRVPVSSYSA-N 499.371 6.828 50 10 JKGE Cn1ncc(Cl)c1[C@H](Br)c1c(Cl)cc(Br)c(F)c1Br 2337083415 ZDSDVRNMONZZFT-SECBINFHSA-N 495.799 5.875 50 10 JKGE Cc1cc(Br)c([C@H](Br)[C@H]2CO[C@]3(C)C[C@H]2C3)cc1Br 2337698752 XESUWZWHMXSXKD-LHAJWOIZSA-N 453.012 5.771 50 10 JKGE Cc1cc(Br)c(F)c(Br)c1[C@H](Cl)c1cnn(C)c1Br 2339686370 LPECBJOYUQQBNN-SNVBAGLBSA-N 475.381 5.483 50 10 JKGE CC[C@@H]1C[C@H]1C[C@@H](Br)c1c(C)cc(Br)c(OC)c1Br 2343387937 MKKMTTDJJJGOPZ-OUAUKWLOSA-N 455.028 6.401 50 10 JKGE CCOc1ccc(Br)cc1[C@H](Br)c1csc(C)c1Br 2343558368 QWWGYCXXSFZNDR-AWEZNQCLSA-N 469.036 6.465 50 10 JKGE CC1CCC(CBr)(OCc2cc(I)ccc2Cl)CC1 2352250844 ZPJQGHWCVNFRHG-UHFFFAOYSA-N 457.577 5.805 50 10 JKGE CCC[C@@H]1CC[C@@H](Br)[C@H](Cc2cc(I)ccc2Cl)C1 2352426406 UAXSDZOCMBSWJY-TYNCELHUSA-N 455.605 6.467 50 10 JKGE Cc1cc(I)c(Oc2cc(F)cc(F)c2CBr)cc1Cl 2361701059 CUQUQVHBXBFHDB-UHFFFAOYSA-N 473.482 6.218 50 10 JKGE Fc1c(Br)cc(Cl)c([C@@H](Br)[C@@H]2[C@@H]3[C@H]2CCC3(F)F)c1Br 2362227872 KIJFGNQCUFCPLG-QGAWMNOPSA-N 497.374 6.731 50 10 JKGE FC1(F)[C@H]2CCC[C@@H]1C[C@@H]([C@@H](Br)c1sc(Cl)cc1I)C2 2364119216 KRNGQYOYDFAOAH-KZFFXBSXSA-N 495.598 6.904 50 10 JKGE COc1c(Br)cc(C)c([C@@H](Br)c2cc(C)c(C)s2)c1Br 2365187893 FPOQBEDACIFVFZ-ZDUSSCGKSA-N 483.063 6.691 50 10 JKGE Cc1ccc([C@@H](Cl)c2c(C)cc(Br)c(F)c2Br)cc1Br 2365222398 CRBPNSMILDKELM-CQSZACIVSA-N 485.416 7.058 50 10 JKGE C[C@H]1C[C@H]2C[C@]([C@H](Br)c3c(F)cc(Br)c(F)c3Br)(C2)O1 2368522022 XGVMSMOKEMXLIR-CCBCZWRWSA-N 474.965 5.883 50 10 JKGE CCc1cc(Br)c(OC)c([C@@H](Br)c2cn(C)c(Br)n2)c1 2381249461 JDFFILHJPVIUAN-GFCCVEGCSA-N 466.999 5.000 50 10 JKGE O=C(N/N=C/c1cccc(Oc2ccccc2)c1)c1cnn(-c2ccccc2)c1C(F)(F)F 1957777 HAVFRFQHVNLRGV-RWPZCVJISA-N 450.420 5.447 50 10 JKGE O=C(N/N=C(/c1ccccc1)c1ccc([N+](=O)[O-])cc1)c1cc(-c2ccccc2)nc2ccccc12 27520417 OFBDHROAXLMTRR-PNOGMODKSA-N 472.504 5.992 50 10 JKGE CCCCOc1cccc(-c2nn(-c3ccccc3)cc2/C=C(/C#N)C(=O)NCc2ccccc2)c1 35446808 JFZVFBYRBCDKKC-BWAHOGKJSA-N 476.580 5.942 50 10 JKGE CCCOc1ccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4ccccc4OCCC)ccc32)cc1 38650723 WSBZUGHMMBYXRJ-HHHXNRCGSA-N 484.552 5.702 50 10 JKGE COc1ccccc1OCC(=O)Oc1ccc2c(c1)OC(N)=C(C#N)[C@H]2c1ccc(Cl)c(Cl)c1 38655744 CCJTYMYWCRLQGT-DEOSSOPVSA-N 497.334 5.205 50 10 JKGE COc1ccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4ccc(C(C)(C)C)cc4)ccc32)c(OC)c1 38656740 QLJLUPMZWCYZMP-SANMLTNESA-N 484.552 5.439 50 10 JKGE COc1cc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4ccco4)ccc32)ccc1OCCC(C)C 38660382 DBLXAQLBWCHCDU-RUZDIDTESA-N 474.513 5.150 50 10 JKGE CSc1ccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)COc4cccc(C)c4C)ccc32)cc1 38682512 LBRZNWPRLHQJIK-SANMLTNESA-N 472.566 5.228 50 10 JKGE CCCCOc1ccccc1[C@@H]1C(C#N)=C(N)Oc2cc(OC(=O)COc3ccccc3C)ccc21 38682752 UMRRCXQBBQYUIB-NDEPHWFRSA-N 484.552 5.377 50 10 JKGE N#C/C(=C\c1cn(-c2ccccc2)nc1-c1ccc2c(c1)OCO2)S(=O)(=O)c1ccc(Cl)cc1 39850266 MCKYOCQJMIOKQT-WSDLNYQXSA-N 489.940 5.260 50 10 JKGE Cc1ccc(NC(=O)/C(C#N)=C\c2c(Oc3ccc(Cl)cc3)nc3c(C)cccn3c2=O)cc1C 39858607 XLTRKKBSYAYUHH-RGEXLXHISA-N 484.943 5.611 50 10 JKGE Cc1ccc(C(=O)N/N=C2\CCCc3oc(C(=O)Oc4cc(C)c(Cl)c(C)c4)c(C)c32)cc1 40804832 IBEZQHQQFYNBGH-VFCFBJKWSA-N 464.949 5.856 50 10 JKGE Cc1c(C(=O)Nc2cccc3ccccc23)oc2c1/C(=N/NC(=O)c1cccc3ccccc13)CCC2 40813584 CURQMVCBZIVOTF-MHTZHOPKSA-N 487.559 6.617 50 10 JKGE CCOc1c(Br)cc(/C=C/C(=O)Oc2ccc(/C=C\C#N)cc2OC)cc1OC 41016566 SUILERNPAJPLND-UGXDAERVSA-N 458.308 5.021 50 10 JKGE Cc1ccc(NC(=O)/C(C#N)=C\c2ccc(OCc3ccc(Cl)cc3)c(Br)c2)cc1 59335199 WVHNCRGJKKLFIL-UNOMPAQXSA-N 481.777 6.536 50 10 JKGE CCOC(=O)/C(C#N)=C/c1cc(I)c(OCc2ccc(Cl)cc2)c(OC)c1 59485118 KBUREWDPDQEGKC-OVCLIPMQSA-N 497.716 5.002 50 10 JKGE Cc1cc([C@H](Br)c2ccc(Br)c(F)c2)c(C)cc1Br 70472092 BSGRMGHPTVODHN-OAHLLOKOSA-N 450.971 6.452 50 10 JKGE CCOC(=O)/C(C#N)=C\c1cc(Br)ccc1OCCOc1ccc(C(C)(C)C)cc1 89269976 HTAQQOGUMJNEQK-JXAWBTAJSA-N 472.379 5.674 50 10 JKGE N#C/C(=C/c1cn(CCOc2ccccc2Cl)c2ccccc12)C(=O)Nc1nc2ccccc2s1 102443718 IZWSEVXZWMPNHB-SDXDJHTJSA-N 498.995 6.529 50 10 JKGE C[C@H](Br)c1ccccc1NS(=O)(=O)c1ccc(Br)cc1Cl 136607325 QWLGAUZNTMTZPZ-VIFPVBQESA-N 453.583 5.359 50 10 JKGE CCOc1cc(Cl)c([C@@H](Br)c2ccc(F)cc2Br)cc1Cl 164555312 LOSHPUZOYOFBMZ-HNNXBMFYSA-N 456.964 6.778 50 10 JKGE Cc1ccc(C(=O)N/N=C\c2cc(Br)c(OC(C)C)c(Br)c2)cc1 169885871 ZOHQPGASDYKZTB-FBHDLOMBSA-N 454.162 5.071 50 10 JKGE CCCOc1ccc(-c2nn(-c3ccccc3)cc2/C=C2\C(=O)N(CC)C(=O)C(C#N)=C2C)c(C)c1 214209370 PWSKFUZJVPKRDL-XYGWBWBKSA-N 480.568 5.249 50 10 JKGE Brc1ccc([C@@H](Br)Cc2nc3ccccc3s2)c(Br)c1 232478586 YINASMZZTDSXDV-LBPRGKRZSA-N 476.031 6.500 50 10 JKGE COc1ccc([C@H](Cl)c2cc(Br)ccc2I)c(F)c1 234991071 UABZNAUCZAPNOS-AWEZNQCLSA-N 455.492 5.530 50 10 JKGE CC(=NNC(=O)c1cc(C2CC2)nc2ccc(Br)cc12)c1ccc(C(C)C)cc1 252611384 IJQXYDQPFNZDAJ-UHFFFAOYSA-N 450.380 6.152 50 10 JKGE O=C(CSCc1cccc(Br)c1)NN=Cc1ccc(-c2ccc([N+](=O)[O-])cc2)o1 252611913 IOJGKWLUQHQVKZ-UHFFFAOYSA-N 474.336 5.001 50 10 JKGE CCO[C@@H]1[C@@H](Cl)C[C@H]1Oc1c(Br)cc(Br)cc1Br 252843523 FGJKAQBOHULEMO-HOSYDEDBSA-N 463.391 5.138 50 10 JKGE CCCCCCCCCCCC(=O)NN=Cc1cccc(OC(=O)c2ccc(OC)cc2)c1 254697934 DCDXCOXMKNCFLN-UHFFFAOYSA-N 452.595 6.285 50 10 JKGE N#CC(=C1CCN(C(=O)OCc2ccccc2)CC1)c1cccc(I)c1 309684936 BIRWEMFEJIIWLJ-UHFFFAOYSA-N 458.299 5.001 50 10 JKGE Cc1ccc(Br)cc1C[C@H](CBr)Cc1ccccc1Br 313717094 SIKAWKTVPMDEGA-CYBMUJFWSA-N 461.035 6.316 50 10 JKGE COc1ccc([C@H](Br)c2cccc(OCc3ccccc3)c2)c(Br)c1 381152822 BLRGPYOBNBOEGY-OAQYLSRUSA-N 462.181 6.521 50 10 JKGE O=C(OCc1ccccc1)N1C[C@@H](CI)[C@H](c2cc(Cl)ccc2Cl)C1 382739167 YORHEJOYPCNAFA-RHSMWYFYSA-N 490.168 5.781 50 10 JKGE CC[C@@H](CC(F)(F)F)[C@@H](Br)c1cc(Br)sc1Br 402600839 CVLOPCHGOMJADV-YLWLKBPMSA-N 458.963 6.688 50 10 JKGE COCc1cc(Br)c([C@@H](Cl)c2cc(Br)sc2Br)s1 688112440 HNAABFHWYHEYQB-VIFPVBQESA-N 495.483 6.572 50 10 JKGE BrCC(CBr)(Cc1ccsc1Br)C1CCCCCC1 696818786 VXXKPXJTVVPDFW-UHFFFAOYSA-N 473.112 6.800 50 10 JKGE C[C@H](Cl)c1nc2cc(I)ccc2n1C[C@@H](C1CC1)N(C)Cc1ccccc1 718000268 YVQMLNKFVORRPU-BTYIYWSLSA-N 493.820 5.851 50 10 JKGE Cc1ccc(-n2c(C)c(Br)c(C=NNC(=O)[C@@H](C)Sc3ccccc3)c2C)c(C)c1 725396813 HPFWUCSJIGEFPI-LJQANCHMSA-N 484.463 6.104 50 10 JKGE COc1ccc(Cl)cc1NC(=O)C(=O)NN=Cc1cc(C)n(-c2ccc(Cl)c(Cl)c2)c1C 725406240 IHSKIZZQOZLSMW-UHFFFAOYSA-N 493.778 5.152 50 10 JKGE CCOc1cc(/C=C(/C#N)C(=O)Nc2cccc(C)c2)cc(Cl)c1OCc1ccccc1Cl 725427670 IQUAAWSBQARSES-NDENLUEZSA-N 481.379 6.825 50 10 JKGE COc1ccc(NC(=O)/C(C#N)=C\c2cc(Br)ccc2OCc2ccc(Cl)cc2)cc1 1083992043 SDXFTUPDFJPFBL-PDGQHHTCSA-N 497.776 6.236 50 10 JKGE CCOc1cc(C=NNC(=O)c2ccccc2)cc(Br)c1OCc1ccc(F)cc1 1084175202 NLLXORXUTRHFHA-UHFFFAOYSA-N 471.326 5.330 50 10 JKGE Cc1cc(C=NNC(=O)[C@@H](C)Sc2ccccc2)c(C)n1-c1ccc(Br)cc1 1084604260 QHIULYPCNVMVOD-QGZVFWFLSA-N 456.409 5.488 50 10 JKGE CC(=NNC(=O)c1cccc(Cl)c1)c1ccc(C(C)=NNC(=O)c2cccc(Cl)c2)cc1 1084647562 BNGQDGJRWQBTCF-UHFFFAOYSA-N 467.356 5.301 50 10 JKGE Cc1cc(C)cc(NC(=O)c2oc3c(c2C)C(=NNC(=O)c2cccc4ccccc24)CCC3)c1 1772747944 MFGGZOULQUYAHF-UHFFFAOYSA-N 465.553 6.081 50 10 JKGE CCOc1ccc(C=NNC(=O)COc2ccc(-c3ccccc3)cc2Br)cc1 1772754458 HZSONAJCLZRBMY-UHFFFAOYSA-N 453.336 5.044 50 10 JKGE CCCc1nn(-c2cccc3ccccc23)c2c1[C@@H](c1cccc3ccccc13)C(C#N)=C(N)O2 1865682161 HQGVEMBEGXMSTO-MHZLTWQESA-N 456.549 6.349 50 10 JKGE Cc1nn(-c2ccc(Br)cc2)c2c1[C@@H](c1cccc3ccccc13)C(C#N)=C(N)O2 1865682353 MRZSUZLRPVFZEZ-QFIPXVFZSA-N 457.331 5.315 50 10 JKGE CCOc1cccc([C@@H]2C(C#N)=C(N)Oc3c2c(-c2ccc(OC)cc2)nn3Cc2ccccc2F)c1 1865690596 WOGPDRHNEJTOTM-RUZDIDTESA-N 496.542 5.363 50 10 JKGE C=CCOc1ccccc1[C@@H]1C(C#N)=C(N)Oc2c1c(C(F)(F)F)nn2-c1cccc2ccccc12 1865691000 GYKCPLMCSCBGCE-JOCHJYFZSA-N 488.469 5.827 50 10 JKGE Cc1nn(-c2cccc3ccccc23)c2c1[C@H](c1cc(Br)ccc1O)C(C#N)=C(N)O2 1865697248 YIXPFSUVTXMBTL-JOCHJYFZSA-N 473.330 5.020 50 10 JKGE CCCOc1ccccc1[C@H]1C(C#N)=C(N)Oc2c1c(C(F)(F)F)nn2-c1cccc(Cl)c1 1865703021 KYCOHRMRZPVARH-SFHVURJKSA-N 474.870 5.551 50 10 JKGE CCCc1nn(Cc2c(F)cccc2Cl)c2c1[C@H](c1ccc(CC)cc1)C(C#N)=C(N)O2 1865708964 KGQRJBFCSARXDG-JOCHJYFZSA-N 450.945 5.457 50 10 JKGE COc1cc(/C=C(\C#N)C(=O)C(C)(C)C)ccc1OCc1c(Cl)ccc(Cl)c1Cl 1872728973 FMCCLGKQGWNWLF-NTEUORMPSA-N 452.765 6.757 50 10 JKGE COc1ccc(OCCC/C(O)=C(\C#N)c2nc(-c3ccc(Cl)cc3Cl)cs2)cc1 1872744766 HGOBPUTZGHFBPC-UZYVYHOESA-N 461.370 6.777 50 10 JKGE CCCCc1ccc(N2C[C@@H](/C(O)=C(\C#N)c3nc(-c4ccc5c(c4)CCCC5)cs3)CC2=O)cc1 1872745395 LDUKHDKIUKVNFZ-OWGOKANHSA-N 497.664 6.877 50 10 JKGE CCc1cccc(CC)c1N1C[C@H](/C(O)=C(\C#N)c2nc(-c3ccccc3Cl)cs2)CC1=O 1872746426 HGQSPGLYVAAZDK-OFGUMHRGSA-N 478.017 6.434 50 10 JKGE COc1cc(/C(O)=C(\C#N)c2nc(-c3ccc(C(C)C)cc3)cs2)c([N+](=O)[O-])cc1OC 1872752126 OEZLBXQZWDDLRW-XLNRJJMWSA-N 451.504 5.809 50 10 JKGE CCOc1ccc(OCC)c(-c2csc(/C(C#N)=C(\O)c3cc([N+](=O)[O-])ccc3Cl)n2)c1 1872755027 VJSSUIXDYTVQCY-FXBPSFAMSA-N 471.922 6.119 50 10 JKGE CCOc1cc(/C=C(\C#N)c2nc(-c3ccc([N+](=O)[O-])cc3)cs2)ccc1OCc1ccccc1C 1872784351 LXWQXEDQSVPHQL-OEAKJJBVSA-N 497.576 7.069 50 10 JKGE Cc1ccccc1COc1ccccc1/C=N/NC(=O)CCCCCNC(=O)OC(C)(C)C 1873795692 XNBVIYFFOLHRBX-MTDXEUNCSA-N 453.583 5.109 50 10 JKGE COc1cc([C@@H](Br)c2ccc(F)c(Br)c2)ccc1Br 1876919525 UQCRFNWSPCLNHZ-AWEZNQCLSA-N 452.943 5.844 50 10 JKGE BrCc1cc(Br)c(OC[C@@]23CCCC[C@@H]2C3)c(Br)c1 1880373379 APTYPRIQWZTNKX-ABAIWWIYSA-N 453.012 6.066 50 10 JKGE CC(C)(C)OC(=O)N[C@H](CBr)[C@@H]1CCN(C(=O)OC(C)(C)C)[C@@H](C2CCC2)C1 1891090721 PLJDIWSQXLQHMG-BRWVUGGUSA-N 461.441 5.090 50 10 JKGE C[C@H](Br)CN(Cc1ccccc1)Cc1ccc(I)c(Cl)c1 1907284925 IENAMJUMNUZRDF-ZDUSSCGKSA-N 478.599 5.730 50 10 JKGE C[C@]1(C(F)(F)F)C[C@@H]1Oc1c(Br)cc(CBr)cc1Br 1909555563 GNLXXGKZNCCKAN-ONGXEEELSA-N 466.917 5.826 50 10 JKGE CC(C)(CBr)N(Cc1ccccc1)S(=O)(=O)c1ccc(Cl)c(F)c1Cl 1915772205 XJTUJXUTIPXLOF-UHFFFAOYSA-N 469.203 5.497 50 10 JKGE Cc1c(Br)sc([C@H](Br)[C@H]2CC(C)(C)OC2(C)C)c1Br 1922911510 DBSPMAHDEOATRA-PSASIEDQSA-N 475.084 6.611 50 10 JKGE Cc1c(Br)sc([C@H](Cl)c2cccc(Br)c2)c1Br 1922932289 KJPKPNHTHYAKLA-SNVBAGLBSA-N 459.428 6.672 50 10 JKGE FC(F)Oc1ccc([C@H](Br)c2sc(Br)cc2Br)cc1 1922953139 AAMHZGYDMNJRMI-JTQLQIEISA-N 476.962 6.359 50 10 JKGE CC1(C)[C@H]([C@H](Br)c2c(Br)sc(Br)c2Cl)C1(F)F 1923075173 XWUVCIIZUZAVOZ-XINAWCOVSA-N 473.402 6.654 50 10 JKGE Cc1ccsc1[C@H](Cl)c1c(Br)sc(Br)c1Br 1924580516 SKIDTYBYZKLJSL-SSDOTTSWSA-N 465.457 6.734 50 10 JKGE Fc1cc([C@@H](Cl)c2c(Br)sc(Br)c2Br)ccc1Cl 1924589447 CBGKNPVGYJIYCT-SECBINFHSA-N 497.836 7.156 50 10 JKGE Cl[C@@H](c1c(Br)sc(Br)c1Br)[C@@H]1COc2ccccc21 1924596864 UYJSZBFMYKZKAI-RDDDGLTNSA-N 487.438 6.492 50 10 JKGE C[C@@H]1COc2ccc([C@H](Br)c3cc(Br)ccc3Br)cc21 1925753348 GNMCMPYWSDKKOP-ABKXIKBNSA-N 460.991 6.192 50 10 JKGE Cc1ccc(CCl)cc1S(=O)(=O)N(CCN(C)Cc1ccccc1)Cc1ccccc1 1946827597 PTWYRVDJKTUQLE-UHFFFAOYSA-N 457.039 5.057 50 10 JKGE Fc1cc(Cl)c(Br)cc1[C@@H](Br)c1ncsc1Br 1948514819 CLAUOPGUPZPPDK-MRVPVSSYSA-N 464.379 5.945 50 10 JKGE COC1([C@H](Br)c2c(Br)sc(Br)c2Br)CC1 1957638825 CYTZBQCBDJTOAJ-ZCFIWIBFSA-N 483.845 5.651 50 10 JKGE C[C@]1([C@H](Br)c2cc(Br)c(Br)s2)CCCC1(F)F 2002581912 INXRSTZFADRFMU-PSASIEDQSA-N 452.984 6.535 50 10 JKGE CCc1sc(Br)cc1[C@@H](Br)c1ccc(Cl)c(Br)c1 2030222835 RKFVBQABMGQWOI-ZDUSSCGKSA-N 473.455 6.973 50 10 JKGE CCc1sc(Br)cc1[C@@H](Br)c1cn(CC)c(Br)n1 2030225003 AJMXECFZIWFPAE-LLVKDONJSA-N 457.029 5.536 50 10 JKGE Cc1sc(C)c(C[C@H](Br)c2ccccc2Br)c1Br 2050529691 GODLYUWAZYKWCR-ZDUSSCGKSA-N 453.037 6.569 50 10 JKGE CN([C@@H](c1ccccc1P(c1ccccc1)c1ccccc1)C(C)(C)C)[S@@](=O)C(C)(C)C 2080758920 LSFXASOJFLAEOF-IEWVHIKDSA-N 465.643 5.926 50 10 JKGE COc1ccc([C@H](Br)Cc2ccccc2I)c(Br)c1 2087570663 UOSDFOPROXLSME-CYBMUJFWSA-N 495.980 5.741 50 10 JKGE C[C@@H](Br)C[C@H]1CCCCN1C(=O)c1csc(Br)c1Br 2093945074 VLVQCXRAHCGBSX-RKDXNWHRSA-N 474.056 5.441 50 10 JKGE Cc1cc(Br)c([C@H](Br)[C@@]2(C)C[C@@H]2C(F)(F)F)cc1Br 2100652365 BKAUEINLXCMHOJ-SRVKXCTJSA-N 464.945 6.545 50 10 JKGE Cc1c([C@H](Br)c2ccc(F)c(Br)c2F)nn(C)c1Br 2111931547 DFKDESNSUWFLIP-MRVPVSSYSA-N 458.926 5.016 50 10 JKGE C[C@H]1CN(C(=O)c2cc(Br)c(Br)s2)CC[C@@H]1CCBr 2115841032 CTPFELDMLFYVQB-IUCAKERBSA-N 474.056 5.156 50 10 JKGE FC(F)c1ccc([C@@H](Cl)c2c(Br)sc(Br)c2Cl)cc1 2116024739 HUTXDQMVBAZRPE-MRVPVSSYSA-N 450.957 7.192 50 10 JKGE CC(C)(C)[C@H]1C[C@H]1COc1c(Br)cc(CBr)cc1Br 2135642809 ZVWWZBRMEJKJLI-QWRGUYRKSA-N 455.028 6.168 50 10 JKGE Brc1ccc([C@H](Br)c2ccc3sccc3c2)c(Br)c1 2138852167 MMTZRNVDMSCPLV-OAHLLOKOSA-N 461.016 6.911 50 10 JKGE COCCOc1ccc([C@H](Br)c2sncc2Br)cc1Br 2145178183 LMRUDABJRHDLGN-LBPRGKRZSA-N 486.023 5.178 50 10 JKGE Cc1cccc([C@@H](Cl)c2cc(Br)c3c(c2)CCO3)c1I 2146618674 DVMCSTXONLIIBQ-AWEZNQCLSA-N 463.540 5.625 50 10 JKGE C[C@@H](Br)c1ccccc1NC(=O)c1c(Br)cccc1Br 2150491654 RJYPPHAOQXODOK-SECBINFHSA-N 461.979 5.920 50 10 JKGE Fc1ccc(C[C@H](CBr)Cc2c(Br)cccc2Br)cc1 2150494203 GQSARQAJBJTMMJ-LBPRGKRZSA-N 464.998 6.147 50 10 JKGE Cc1cc(Br)c([C@H](Br)C23CCC(CC2)C3(C)C)cc1Br 2150878270 PIZREUJNAFMUBK-XNYLIXPXSA-N 465.067 7.172 50 10 JKGE Cc1cc(Br)c(F)c([C@H](Br)c2cc(Br)c(Cl)cc2F)c1 2154108649 LEQHOQJMUJOGKD-CYBMUJFWSA-N 489.379 6.936 50 10 JKGE COc1ccc([C@H](Br)c2cc(Cl)c(C)c(Br)c2)c(Br)c1 2167396869 UAICWBSDMAFYRR-OAHLLOKOSA-N 483.425 6.666 50 10 JKGE Cc1nn(C)c(Br)c1[C@@H](Br)c1csc2c(Br)cccc12 2185750566 OVYHBFIYZGIXCP-LBPRGKRZSA-N 479.035 5.953 50 10 JKGE CCn1nc(COc2c(Br)cc(CBr)cc2Br)cc1C 2185752895 XGAOPZQTHXMMDP-UHFFFAOYSA-N 466.999 5.210 50 10 JKGE Cc1c(Br)ccc([C@H](Br)[C@H]2CCCC(C)(C)CC2)c1Br 2203681306 AHEUZCYYDLYLLH-BLLLJJGKSA-N 467.083 7.563 50 10 JKGE Cc1c(Br)ccc([C@@H](Br)C2(CC(F)(F)F)CCC2)c1Br 2203687269 WRZGFEYKXKHMFY-GFCCVEGCSA-N 478.972 7.079 50 10 JKGE BrCc1c(Br)cccc1N1[C@H]2CCC[C@@H]1CN(Cc1ccccc1)C2 2219192116 IEVUBKVFZNWGJL-HDICACEKSA-N 464.245 5.587 50 10 JKGE Cc1cc([C@H](Br)Cc2ccc(Br)cc2Cl)sc1Br 2221700416 RYESKGPDYYCEQF-SNVBAGLBSA-N 473.455 6.914 50 10 JKGE Cc1nn(C)c([C@H](Br)c2ccc(Br)cc2Br)c1Cl 2224021098 LWASVIGOJIHQPZ-SNVBAGLBSA-N 457.391 5.391 50 10 JKGE CC1([C@H](Br)c2c(Br)cc(Cl)c(Cl)c2Cl)CC(F)(F)C1 2224316648 GKBAGEWBQGDECP-SNVBAGLBSA-N 457.367 7.281 50 10 JKGE Fc1cc(Br)c(Br)cc1[C@@H](Br)C[C@@H]1CCCC1(F)F 2225615907 AVOGPDKAYNAKMV-CBAPKCEASA-N 464.945 6.612 50 10 JKGE Cc1cc(Br)c([C@@H](Br)c2sc(C)c(C)c2C)cc1Br 2228580081 DSAJHPRYYKNCIE-CQSZACIVSA-N 467.064 6.991 50 10 JKGE FC1(F)CCC[C@@H]1C[C@@H](Br)c1c(Br)cc(Cl)c(Cl)c1Cl 2232521915 WARWPMDNBIDRQV-RNFRBKRXSA-N 471.394 7.671 50 10 JKGE Cc1cc(Br)c([C@H](Br)[C@H]2CCC[C@H](C)CC2)c(C)c1Br 2235600900 SQKNRXYFIOJZJI-SIMVJXQJSA-N 467.083 7.481 50 10 JKGE Cc1cc(Br)c(CBr)c(N(C)Cc2sc(C)cc2Br)c1 2237720933 PORAAVTVVSWGGV-UHFFFAOYSA-N 482.079 6.421 50 10 JKGE C[C@H](Cl)c1nc2ccccc2n1-c1ccc(Br)cc1I 2240289976 XTVRMHCTPUCZLE-VIFPVBQESA-N 461.528 5.692 50 10 JKGE CCN(C[C@@](C)(CI)OCC[C@H](C)CCCC(C)C)C(=O)OC(C)(C)C 2269406746 QBMHAHMCMIINQA-WIYYLYMNSA-N 483.475 6.306 50 10 JKGE CC[C@]12CO[C@]([C@H](Br)Cc3cc(Br)cc(Br)c3)(C1)C2 2277957074 SDLLPKYFFFNLBT-KFWWJZLASA-N 453.012 5.477 50 10 JKGE Clc1cc([C@@H](Cl)c2cc3sc(Br)cc3s2)ccc1Br 2278095823 FUTLDCSEBZJMST-CYBMUJFWSA-N 457.039 7.469 50 10 JKGE Cc1c(Br)ccc([C@H](Br)C[C@@H]2CCCCC23CC3)c1Br 2279688411 NJMUYZCMOGLTCY-SWLSCSKDSA-N 465.067 7.317 50 10 JKGE Clc1cccc([C@H](Br)c2cc3c(cc2Br)OCC3)c1Br 2283188976 OYGIABUUZYEAFK-AWEZNQCLSA-N 481.409 6.284 50 10 JKGE COc1cc(Cl)c([C@@H](Cl)c2cc(Br)c(Br)s2)c(OC)c1 2294912587 ULIJTNPWICUANE-LBPRGKRZSA-N 461.002 6.272 50 10 JKGE CCc1ccc(NC(=O)C(C#N)=C2S[C@@H](Cc3ccccc3Cl)C(=O)N2c2ccccc2)cc1 2296033266 YJFXUTFKXBNLCY-DEOSSOPVSA-N 488.012 5.967 50 10 JKGE COc1ccc(NC(=O)C(C#N)=C2S[C@H](Cc3ccc(Cl)cc3)C(=O)N2c2ccccc2)cc1 2296506909 KXHNNCGBUBEXGJ-HSZRJFAPSA-N 489.984 5.414 50 10 JKGE Cc1cccc(CSC(Nc2cccc(Cl)c2)=C(C#N)S(=O)(=O)c2ccccc2)c1 2297349947 FRNQXESSQOFXPZ-UHFFFAOYSA-N 455.004 6.160 50 10 JKGE N#CC(=Cc1ccc(-c2ccc(Br)cc2)o1)C(=O)Nc1cccc(C(F)(F)F)c1 2297550625 BIELQQGJNVIQEE-UHFFFAOYSA-N 461.237 6.274 50 10 JKGE CC(C)n1ncc(Br)c1CN(Cc1ccccc1)[C@H](CBr)C1CC1 2303060764 SYOVGYUDEOAYCE-GOSISDBHSA-N 455.238 5.402 50 10 JKGE FC1(F)CC(CBr)(Cc2ccc(I)c(Br)c2)C1 2306232425 UORVAOUVURNRFV-UHFFFAOYSA-N 479.928 5.407 50 10 JKGE Cc1c(Br)sc([C@H](Br)[C@]23C[C@H](CO2)C3(C)C)c1Br 2313352564 XXYLJAKLRWQIER-IDALBHDPSA-N 459.041 5.833 50 10 JKGE N#CC(=Cc1cn(Cc2ccccc2F)c2ccccc12)C(=O)Nc1ccc(Cl)c(Cl)c1 2313630499 AWPPWRHQCPAKQE-UHFFFAOYSA-N 464.327 6.681 50 10 JKGE N#CC(=Cc1cccc(OCc2ccc(Cl)cc2Cl)c1)C(=O)Nc1ccc(Cl)c(Cl)c1 2313630930 IBZKIEXNXCQLAQ-UHFFFAOYSA-N 492.189 7.425 50 10 JKGE COc1cc(C=C(C#N)C(=O)Nc2cccc([N+](=O)[O-])c2)ccc1OCc1ccc(Cl)cc1 2313675888 ZRTTXQKOYWQRMW-UHFFFAOYSA-N 463.877 5.381 50 10 JKGE CC1([C@@H](Br)c2ccc(OCc3ccccc3)cc2Br)CCCCCC1 2314439768 JZONXNQZWFMRFJ-NRFANRHFSA-N 466.257 7.825 50 10 JKGE C[C@@H](NC(=O)C(C#N)=Cc1cn(-c2ccccc2)nc1-c1cccc2ccccc12)c1ccccc1 2314490493 YILBQLFYDDILNF-JOCHJYFZSA-N 468.560 6.477 50 10 JKGE Clc1cc(I)c([C@H](Br)[C@H]2COc3ccccc32)s1 2316599493 REZIGNSIEQVSTI-QPUJVOFHSA-N 455.542 5.618 50 10 JKGE CC(=O)N(C(=O)C(C#N)=CNc1ccc(-c2nc3ccc(C)cc3s2)cc1)c1ccc(N)cc1 2318454444 XPDLLNNEDODXSH-UHFFFAOYSA-N 467.554 5.253 50 10 JKGE Cc1cc(I)ccc1NC(=O)C(C#N)=CNc1ccc(C(C)(C)C)cc1 2325408187 KZCQSLPCJLBYRV-UHFFFAOYSA-N 459.331 5.355 50 10 JKGE CCCOc1ccccc1C=CC(=O)NN=C1C(=O)N(Cc2ccccc2Cl)c2ccccc21 2326841501 OXZIVGCDLUEFHH-UHFFFAOYSA-N 473.960 5.209 50 10 JKGE CCOC(=O)c1c(NC(=O)C(C#N)=Cc2ccc(F)cc2)sc(C(=O)OC2CCCCC2)c1C 2329639451 YDTZMHYUOVSXIC-UHFFFAOYSA-N 484.549 5.408 50 10 JKGE Cc1cc(OCC(O)=C(C#N)c2nc(-c3ccc(Cl)c(Cl)c3)cs2)cc(C)c1Cl 2331311685 NJCQWVRLBLYRDJ-UHFFFAOYSA-N 465.789 7.259 50 10 JKGE C[C@H](Oc1ccc(Cl)cc1Cl)C(O)=C(C#N)c1nc(-c2ccc(C(C)(C)C)cc2)cs1 2331332850 URKDXFZIUUHCCM-AWEZNQCLSA-N 473.425 7.675 50 10 JKGE COc1ccc(-c2csc(C(C#N)=C(O)COc3ccc(C)cc3C(C)(C)C)n2)c(OC)c1 2331385441 DJNKWDPSSWSMSN-UHFFFAOYSA-N 464.587 6.305 50 10 JKGE COc1ccc(-c2csc(C(C#N)=C(O)c3ccc(N4CCCC4)c([N+](=O)[O-])c3)n2)c(OC)c1 2331386762 LTZUJDAQETWSGN-UHFFFAOYSA-N 478.530 5.286 50 10 JKGE CCOc1ccc(-c2csc(C(C#N)=C(O)CCCOc3ccccc3C)n2)c(OCC)c1 2331389043 LARNICHXQNABEF-UHFFFAOYSA-N 464.587 6.568 50 10 JKGE CCCCc1ccc(N2C[C@H](C(O)=C(C#N)c3nc(-c4ccc(Cl)s4)cs3)CC2=O)cc1 2331402156 UZHGTXYEXXPZCC-MRXNPFEDSA-N 484.046 6.713 50 10 JKGE CCCCCCOc1ccc(C=C(C#N)c2nc(-c3c[nH]c4ccccc34)cs2)cc1OC 2331460115 MXGCTMARXPMZEG-UHFFFAOYSA-N 457.599 7.323 50 10 JKGE Fc1c(Br)cc(Cl)c([C@H](Br)CC[C@H]2CCCO2)c1Br 2337092861 XBVZKTXBGOIJNW-HTQZYQBOSA-N 479.409 6.399 50 10 JKGE C[C@]1(C(F)F)C[C@@H]1[C@@H](Br)c1c(Cl)cc(Br)c(F)c1Br 2337095582 CBTLYULEOBGJIT-ATHITMAHSA-N 485.363 6.731 50 10 JKGE CCCc1sc(Br)cc1[C@H](Cl)c1ccc(I)c(Cl)c1 2338025581 JMTHWANLNBZLQT-CQSZACIVSA-N 490.031 7.049 50 10 JKGE COc1c(Br)cc(C)c([C@H](Br)C2(C)CC(F)C2)c1Br 2339656712 QKAALLPNVWVZTO-KQZUMFKRSA-N 458.991 6.103 50 10 JKGE CC(C)[C@H](Br)C(C)(C)NC(=O)c1ccc(Br)cc1Br 2340518657 ANJSPBSRVRNNFY-LBPRGKRZSA-N 456.016 5.140 50 10 JKGE ClC[C@@H]1C[C@@H]2CCC[C@@H]2N1Cc1ccc(I)c(Br)c1 2349838640 CKNDDJHPDCWNKG-HUBLWGQQSA-N 454.577 5.036 50 10 JKGE CN(Cc1ccc(I)c(Br)c1)[C@H](CCCl)C(F)(F)F 2349857732 CTOHKGDHAOKTGE-LLVKDONJSA-N 470.498 5.045 50 10 JKGE Brc1ccc(OCc2ccccc2)c([C@@H](Br)[C@H]2COc3ccccc3O2)c1 2361203220 FDUFYNDCTUOKLN-FGZHOGPDSA-N 490.191 6.304 50 10 JKGE CC1CCC2(CC1)[C@@H](Br)C[C@@H]2Oc1cc(Br)cc(Br)c1 2364103233 HTOQNJAAMXRNOO-SIBYTZNVSA-N 467.039 6.323 50 10 JKGE Clc1cc(Cl)cc(CC[C@@H](Cl)c2cc(Cl)ccc2I)c1 2366898845 YDSOKNHDVFBHEC-CQSZACIVSA-N 459.969 7.164 50 10 JKGE O=C(NN=Cc1ccc(Oc2ccccc2)cc1)c1ccc(NS(=O)(=O)c2cccs2)cc1 3257865 FOFGZERSYZYRGC-UHFFFAOYSA-N 477.567 5.105 50 10 JKGE C=C(C)[C@H]1CC=C(C)/C(=N/NC(=O)COc2c(C)cc(Br)cc2Br)C1 12483464 QEHWRHMAHRUEPA-KTNMXJNISA-N 470.205 5.303 50 10 JKGE O=C(COc1ccc2cc(Br)ccc2c1Br)N/N=C/c1ccc(Cl)cc1 12491310 VQFDXAYKPHTHAS-AUEPDCJTSA-N 496.586 5.547 50 10 JKGE CCCCOc1cccc(-c2nn(-c3ccccc3)cc2/C=C(/C#N)C(=O)N2CCCCC2)c1 35446835 BLFRADFSVDNXFJ-NKFKGCMQSA-N 454.574 5.638 50 10 JKGE N#CC1=C(N)Oc2cc(OC(=O)c3ccccc3F)ccc2[C@H]1c1ccc(Br)cc1 38651767 QINPPPVOUKIAKZ-OAQYLSRUSA-N 465.278 5.026 50 10 JKGE C=CCOc1ccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)COc4ccc(C(C)C)cc4)ccc32)cc1 38658239 PBXWAMQXPUKADP-GDLZYMKVSA-N 496.563 5.577 50 10 JKGE CCCCCOc1ccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)Cc4ccccc4)ccc32)cc1 38685560 VCLYRYGWQALJMQ-MUUNZHRXSA-N 468.553 5.622 50 10 JKGE Cc1ccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4oc5ccc(F)cc5c4C)ccc32)cc1 38687008 LGTUCAORYVEDID-XMMPIXPASA-N 454.457 5.626 50 10 JKGE CCOc1ccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4oc5c(C)c(C)ccc5c4C)ccc32)cc1 38701410 KSDNQMQZKAMSCU-AREMUKBSSA-N 494.547 6.194 50 10 JKGE Cc1c(C(=O)Nc2ccccc2)oc2c1/C(=N/NC(=O)c1ccc(Cl)cc1Cl)CCC2 40813723 QEZVNETXOYZDPJ-OVVQPSECSA-N 456.329 5.618 50 10 JKGE CCCCCCOc1ccc(/C=N/NC(=O)COc2cc(C)c(Cl)c(C)c2Br)cc1 40950781 QNVQGCFVZPKVCR-VULFUBBASA-N 495.845 6.208 50 10 JKGE Cc1ccc2cc(/C=N/NC(=O)c3ccc(COc4ccc(Cl)cc4)cc3)c(Cl)nc2c1 48564664 YEJVOIMJMXHTEL-CCVNUDIWSA-N 464.352 6.193 50 10 JKGE O=C(CSCc1ccc(Cl)cc1)N/N=C1\C(=O)N(Cc2ccccc2Cl)c2ccccc21 59146552 SDHLBOUGOFFJGB-NFFVHWSESA-N 484.408 5.294 50 10 JKGE COc1ccc(COC(=O)N/N=C2/C(=O)N(C(c3ccccc3)c3ccccc3)c3ccccc32)cc1 59161153 QZYZDBUJGLUWIL-TVKQRKNISA-N 491.547 5.462 50 10 JKGE O=C(N/N=C/c1cc(Br)c(Sc2ccc(Cl)cc2)o1)Nc1cccc(Cl)c1 59679665 YWGYQZQQJGVJSO-LSHDLFTRSA-N 485.190 6.656 50 10 JKGE Brc1ccc(Br)c([C@H](Br)c2ccc(Br)s2)c1 71096306 ONGUSAPIZGDNHQ-NSHDSACASA-N 489.852 6.520 50 10 JKGE Fc1ccc2cc([C@@H](Br)c3cc(Cl)c(Br)cc3F)sc2c1 97896197 COYRNNQXZMRDQY-HNNXBMFYSA-N 452.545 7.080 50 10 JKGE N#C/C(=C/c1c(OCc2ccccc2Cl)ccc2ccccc12)C(=O)Nc1ccccc1[N+](=O)[O-] 97994789 ZHPREKKZFMVNEN-HKWRFOASSA-N 483.911 6.526 50 10 JKGE O=C(Nc1ccccc1C(F)(F)F)[C@H](Br)[C@@H](Br)c1ccccc1 101051536 CWSZAVXYIDJSQR-UONOGXRCSA-N 451.080 5.544 50 10 JKGE CCc1ccc(N2C(=O)[C@@H](Cc3ccc(C)cc3)S/C2=C(/C#N)C(=O)Nc2ccccc2C)cc1 101244907 LMRKJCBRZOZPMS-SCHJHDHGSA-N 481.621 5.931 50 10 JKGE COc1ccc([C@@H](Br)c2cc(Br)ccc2Br)cc1OC 109844909 ZOSLIDUPHWVSFT-OAHLLOKOSA-N 464.979 5.713 50 10 JKGE Br[C@@H](c1ccc(C2CCCCC2)cc1)c1ccccc1I 109859830 MXCIXEKLKQPRGX-IBGZPJMESA-N 455.177 6.823 50 10 JKGE CCOc1ccc([C@H](Br)c2cc(F)ccc2Br)c(Br)c1 123752406 OGAWIAKLVRLYFM-HNNXBMFYSA-N 466.970 6.234 50 10 JKGE Cc1cc(Br)c([C@H](Br)c2cc(F)cc(F)c2)cc1Br 128750015 GPSKHVDWCFOREG-CQSZACIVSA-N 454.934 6.283 50 10 JKGE COc1ccccc1C[C@H](Br)c1cc(Br)c(C)cc1Br 128808078 TXKUPGZYPYHNQG-HNNXBMFYSA-N 463.007 6.207 50 10 JKGE Clc1ccsc1[C@@H](Br)c1cc(Br)ccc1I 236052605 OSXBRAJHFSFNMH-JTQLQIEISA-N 492.401 6.253 50 10 JKGE CCN(CC)c1ccc(/C=C(\NC(=O)c2ccccc2)C(=O)NN=C(C)c2ccc(C)cc2)cc1 252594589 BTWPDXJYEABCLZ-AHDOQPBPSA-N 468.601 5.153 50 10 JKGE O=C(CSc1nnc(-c2ccccc2)n1-c1ccccc1)NN=Cc1ccc(-c2ccccc2)cc1 254395523 UUWXTVTYUHLQLO-UHFFFAOYSA-N 489.604 5.844 50 10 JKGE CCCCCCCCCCCCCC(=O)NCC(=O)NN=Cc1c2ccccc2cc2ccccc12 254525084 BBUQWEYXFPHADU-UHFFFAOYSA-N 487.688 7.260 50 10 JKGE CCCOc1ccc(C(=O)Oc2ccc(C=NNC(=O)COc3ccc(C(C)C)cc3)cc2)cc1 254734742 JHXPDLHAKZOWLG-UHFFFAOYSA-N 474.557 5.347 50 10 JKGE Cc1c(-c2ccc(C=NNC(=O)c3ccccc3NC(=O)c3ccccc3F)o2)cccc1[N+](=O)[O-] 254739084 TTZOBWUJXFYOBQ-UHFFFAOYSA-N 486.459 5.319 50 10 JKGE CCCCCCOc1ccc(C=NNC(=O)CSc2nnc(-c3ccccc3)s2)cc1OC 256028612 YBHLXBQWFUVFGG-UHFFFAOYSA-N 484.647 5.415 50 10 JKGE O=C(OCc1ccccc1)N1C[C@@H](CCl)[C@H](c2cc(Br)ccc2Br)C1 382690139 MIHRYLSFNDKTBP-RHSMWYFYSA-N 487.619 5.803 50 10 JKGE CC(C)(C)[Si](C)(C)OCc1cccc([C@H]2CCCN(S(=O)(=O)c3ccccc3)CC2)c1 616630856 NYKRAORSHNSTFN-QFIPXVFZSA-N 459.728 6.167 50 10 JKGE COCc1cc(Br)c([C@@H](Br)c2sccc2Br)s1 688079604 QHBZJJDLPWGIMI-VIFPVBQESA-N 461.038 5.965 50 10 JKGE COc1cccc([C@H](Br)c2cc(Br)c(Br)s2)c1C 691174079 YBYQYEFUCIWGEE-LBPRGKRZSA-N 455.009 6.074 50 10 JKGE BrCC(CBr)(Cc1ccncc1Br)C1CCCCC1 702867991 QQXHWVWDZNNTHB-UHFFFAOYSA-N 454.044 5.743 50 10 JKGE C[C@@H]1[C@H]2C3=CC[C@@H]4[C@@]5(C)C(C#N)=C[C@@](C)(CO)[C@@H]5CC[C@@]4(C)[C@]3(C)CC[C@@]2(C(=O)O)CC[C@H]1C 888105664 QXTOJYUMOXVLQU-HDLOVIRTSA-N 465.678 6.371 50 10 JKGE N#CC1=C(N)N(c2ccc(Cl)cc2Cl)C(c2ccccc2)=NC1(C(F)(F)F)C(F)(F)F 1088700677 VNJPMHNETRPUDU-UHFFFAOYSA-N 479.211 5.817 50 10 JKGE 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 1615811168 ILOHMDKQENYFEG-IWUZZVDLSA-N 484.721 6.669 50 10 JKGE biogenic Cc1ccc(-c2ccc(OCC(=O)NN=Cc3cn(Cc4ccccc4)c4ccccc34)cc2)cc1 1772753156 FBWGUNYYFYYPHM-UHFFFAOYSA-N 473.576 6.194 50 10 JKGE CC(C)(C)c1ccc(OCCCC(=O)NN=Cc2c(Cl)cccc2Cl)c(Br)c1 1772755372 DISNUMHGCDUGLP-UHFFFAOYSA-N 486.237 6.363 50 10 JKGE COc1ccc(-c2nn(Cc3cc(C)ccc3C)c3c2[C@@H](c2ccccc2)C(C#N)=C(N)O3)cc1 1865680431 KMXHBZSKHZGACQ-VWLOTQADSA-N 462.553 5.442 50 10 JKGE Cc1ccc(C)c(Cn2nc(-c3ccccc3)c3c2OC(N)=C(C#N)[C@H]3c2ccc(C(=O)O)cc2)c1 1865708498 AHNVDZVRYZYWEQ-XMMPIXPASA-N 476.536 5.132 50 10 JKGE Cc1ccc(Cn2nc(-c3ccccc3)c3c2OC(N)=C(C#N)[C@@H]3c2ccccc2[N+](=O)[O-])cc1 1865710381 WTYDDMXBJIWJJF-QHCPKHFHSA-N 463.497 5.033 50 10 JKGE Cc1nc(-c2ccc(Cl)cc2Cl)ccc1C(=O)N/N=C\c1ccc(C(F)(F)F)cc1 1865760565 DPZOBJHHZXGYKB-BCHBDCPOSA-N 452.263 6.147 50 10 JKGE CC[C@@](C)(NC(=O)[C@@H](c1ccc(Cl)cc1)C1CCCC1)C(=O)Nc1ccc(SC#N)cc1 1867008096 RNOPTOMTAMWZDU-RCZVLFRGSA-N 470.038 6.111 50 10 JKGE CCCc1nc(Nc2ccc(SC#N)cc2)cc(N2CCC[C@H]2C(=O)NCc2ccccc2)n1 1868389235 UABCREUBXFBSCI-QFIPXVFZSA-N 472.618 5.031 50 10 JKGE COc1ccc([C@H]2c3ccccc3CCN2c2cc(Nc3ccc(SC#N)cc3)nc(C)n2)cc1 1868480408 NJTPOULCHQKVGR-NDEPHWFRSA-N 479.609 6.263 50 10 JKGE COc1cc2nc(/C(C#N)=C/c3ccc(OCc4ccccc4Cl)cc3)nc(O)c2cc1OC 1872727449 BLJKXCFLEIXHIT-WOJGMQOQSA-N 473.916 5.649 50 10 JKGE COc1cc2nc(/C(C#N)=C/c3c(O)ccc4cc(Br)ccc34)nc(O)c2cc1OC 1872727722 VUHFIWUYNBMXRY-MDWZMJQESA-N 478.302 5.038 50 10 JKGE N#C/C(=C(/O)CCCN1C(=O)c2ccccc2C1=O)c1nc(-c2ccc(Cl)c(Cl)c2)cs1 1872748705 JSRWYRYMRRVHCV-SILNSSARSA-N 484.364 5.986 50 10 JKGE Cc1ccc(C(C)(C)C)cc1-c1csc(/C(C#N)=C(\O)CCCN2C(=O)c3ccccc3C2=O)n1 1872755739 CTUIPADKPAXSMT-GYHWCHFESA-N 485.609 6.285 50 10 JKGE COc1ccc(/C=C/C(O)=C(\C#N)c2nc(-c3cc(Cl)ccc3Cl)cs2)c(OC)c1 1872757972 FHEAZROEEAAJLG-LLZXCYLFSA-N 459.354 6.640 50 10 JKGE COc1cc(C)c(-c2csc(/C(C#N)=C(\O)CNC(=O)c3ccc(Cl)cc3Cl)n2)cc1C 1872758137 MXRNKPKYJOOFON-JZJYNLBNSA-N 488.396 5.965 50 10 JKGE COc1ccc(-c2csc(/C(C#N)=C/c3ccccc3OCc3ccccc3Cl)n2)cc1C 1872781227 ZHQSELQCATWOKL-HYARGMPZSA-N 472.997 7.424 50 10 JKGE COc1ccc(-c2csc(/C(C#N)=C/c3cccc(Br)c3)n2)c(OC)c1OC 1872795342 ZYCAVBRUKZGQSU-NTEUORMPSA-N 457.349 5.663 50 10 JKGE C[C@@]1(C(F)(F)F)C[C@H]1Oc1c(Br)cc(CBr)cc1Br 1909555560 GNLXXGKZNCCKAN-MWLCHTKSSA-N 466.917 5.826 50 10 JKGE C[C@H](CCCl)N(Cc1ccccc1)C(=O)c1c(Br)cccc1Br 1915082223 IUWRMLORNGQJLV-CYBMUJFWSA-N 459.609 5.871 50 10 JKGE CC(C)(CBr)N(Cc1ccccc1)C(=O)c1ccc(I)cc1 1915773757 JUVAZLKNYRXXRT-UHFFFAOYSA-N 472.164 5.107 50 10 JKGE Brc1cc(Br)c([C@@H](Br)c2cc3cscc3s2)s1 1922885647 ISGPWDJLUVYFFL-JTQLQIEISA-N 473.074 7.034 50 10 JKGE FC(F)(F)COCC[C@H](Br)c1sc(Br)cc1Br 1922934273 DYQFKXWRSQTTRJ-YFKPBYRVSA-N 460.935 5.678 50 10 JKGE Brc1cc(Br)c([C@H](Br)c2cc3c(s2)CCC3)s1 1922935543 QUBAJBPCBGFUHB-LLVKDONJSA-N 457.050 6.308 50 10 JKGE CC(C)Oc1cccc([C@H](Br)c2sc(Br)cc2Br)c1 1922954893 TYLADPLPRIWCKM-ZDUSSCGKSA-N 469.036 6.545 50 10 JKGE Clc1c(Br)sc(Br)c1[C@H](Br)c1ccc2c(c1)COC2 1923067875 JXOHOYVKKUUCOR-SNVBAGLBSA-N 487.438 6.441 50 10 JKGE Brc1cnccc1C[C@@H](Br)c1cccc(Br)c1Br 1924020857 IEDLZFZHROQZQZ-LLVKDONJSA-N 498.838 6.048 50 10 JKGE Cc1cc([C@H](Cl)c2c(Br)sc(Br)c2Br)ccc1Cl 1924592363 YUJOASLCXHBDSL-JTQLQIEISA-N 493.873 7.326 50 10 JKGE Fc1cc([C@@H](Cl)c2c(Br)sc(Br)c2Br)cc(F)c1F 1924600491 QQNHCMQWBQROHC-MRVPVSSYSA-N 499.371 6.781 50 10 JKGE CC1(C)C[C@H]([C@H](Cl)c2c(Br)sc(Br)c2Br)C(C)(C)O1 1924611699 DXROTMBDHKRFLJ-MUWHJKNJSA-N 495.502 6.909 50 10 JKGE Brc1cc(Br)cc([C@H](Br)Cc2ncccc2Br)c1 1924861546 PEVWSVSCVXMVFX-GFCCVEGCSA-N 498.838 6.048 50 10 JKGE Fc1cc(Br)c(Cl)cc1[C@H](Br)c1csnc1Br 1925238226 AVUSRZKBCXYPFL-VIFPVBQESA-N 464.379 5.945 50 10 JKGE COC1(C(F)(F)[C@H](Br)c2c(Cl)sc(Br)c2Cl)CCC1 1925565093 AMFUSBOQAMRWGO-SSDOTTSWSA-N 458.977 6.458 50 10 JKGE Cc1cc([C@@H](Cl)c2c(Br)sc(Br)c2Cl)c(Br)s1 1951016285 LRMMKZLOGQQYKN-ZCFIWIBFSA-N 499.902 7.387 50 10 JKGE CC1(C)C[C@@H]([C@@H](Br)c2c(Br)sc(Br)c2Cl)CO1 1997141997 KIAZSFIVJCYXRF-IYSWYEEDSA-N 467.448 6.178 50 10 JKGE C[C@H]1OC2([C@@H](Br)c3c(Br)sc(Br)c3Cl)CC1C2 2017753884 ABBHEIUOEUHXCB-WNZHACADSA-N 465.432 5.930 50 10 JKGE CCc1cc(Br)c([C@H](Br)c2ccc(Br)c(C)c2)s1 2029234341 DSMBNOFDMSFENS-CYBMUJFWSA-N 453.037 6.628 50 10 JKGE Cn1nc([C@H](Br)c2cc(Br)c(Cl)cc2F)cc1Br 2036567082 FALSQIUVSJFOKM-LLVKDONJSA-N 461.354 5.222 50 10 JKGE C[C@@H](c1cccs1)N(Cc1ccccc1)S(=O)(=O)CCC(F)(F)CBr 2059386629 NURXZMANNFGEDM-AWEZNQCLSA-N 452.386 5.061 50 10 JKGE CC1(C)CCC2(CC1)CC(O[C@](C)(CI)CNC(=O)OC(C)(C)C)C2 2073142759 GTVNZBAQAHWWBU-LJQANCHMSA-N 465.416 5.470 50 10 JKGE Cc1sc(Br)c([C@@H](Cl)c2cc(Cl)ccc2I)c1C 2082873671 MIVBOBXZDCBYRG-LBPRGKRZSA-N 476.004 6.714 50 10 JKGE Cc1cccc(Br)c1[C@H](Cl)c1ccc(Br)cc1Br 2083329266 BJOGGHFEDQRCDH-CQSZACIVSA-N 453.399 6.611 50 10 JKGE CSc1ccc([C@@H](Br)c2ccc(Br)cc2Br)cc1 2083336711 CQQYQWJTXSKRGQ-CQSZACIVSA-N 451.021 6.418 50 10 JKGE Cc1cc(Br)c([C@H](Br)[C@@H](CC(C)C)C(C)C)cc1Br 2088586251 AMUQSAQUJAYTBU-BLLLJJGKSA-N 455.072 7.274 50 10 JKGE Cc1cc(Br)c(F)c([C@H](Br)c2ccc(F)c(Br)c2)c1 2089378449 RRKJFPKFNMIBQC-CYBMUJFWSA-N 454.934 6.283 50 10 JKGE CC(C)(C)OC(=O)NCCCN(C[C@H](CBr)C1CC1)c1cccc(Br)c1 2106782529 QYEFFQIIHPIYNC-INIZCTEOSA-N 490.280 5.591 50 10 JKGE CC[C@H](Br)[C@H]1CCCCN1C(=O)c1cc(Br)sc1Br 2114193428 OMDJPNNODARHQP-VHSXEESVSA-N 474.056 5.441 50 10 JKGE CCn1cc(Br)c([C@@H](Cl)c2cc(Br)c(C)cc2Br)n1 2124769116 RXJRKPOHTMSOKV-LBPRGKRZSA-N 471.418 5.827 50 10 JKGE Cc1cc(Br)c([C@@H](Br)C2C[C@@H]3CC[C@H](C2)O3)cc1Br 2124919943 IJCJPZKNSUQSFI-GUSCCFJKSA-N 453.012 5.914 50 10 JKGE Cc1cc(Br)c(C)c([C@@H](Br)C(C)(C)C(C)(C)C)c1Br 2136378838 GESAHYUWANYQLG-CQSZACIVSA-N 455.072 7.337 50 10 JKGE Fc1cccc(F)c1C[C@H](Cl)c1ccc(Br)cc1I 2142279696 TUYPSZRHMXEIPK-NSHDSACASA-N 457.483 5.855 50 10 JKGE CC(C)Oc1ccc([C@H](Br)c2cccc(Br)c2Br)cc1 2148748738 FMQSHFVMWPQNHC-HNNXBMFYSA-N 463.007 6.483 50 10 JKGE Fc1cc([C@@H](Br)c2c(Br)cccc2Br)c(F)c(F)c1F 2150496334 UPVROJIWJPOZFU-SNVBAGLBSA-N 476.887 6.252 50 10 JKGE Cc1cc(Br)c([C@H](Br)[C@H]2CC3(CCCC3)CO2)cc1Br 2166267621 QPAUXNKYXGJHJY-CABCVRRESA-N 467.039 6.305 50 10 JKGE CCc1nc([C@H](Cl)c2cc(Cl)c(Cl)c(Cl)c2Cl)c(Br)s1 2169489345 BSKOMCLKVDPJTF-MRVPVSSYSA-N 454.431 7.410 50 10 JKGE CCc1cc([C@H](Cl)c2cc(Br)ccc2I)c(F)cc1F 2175400811 WULXNDSOFIHGFD-HNNXBMFYSA-N 471.510 6.223 50 10 JKGE C[C@@H]1C[C@H](n2c([C@@H](C)Cl)nc3cc(I)ccc32)CN(Cc2ccccc2)C1 2184260845 PRCWEHGCZDQJAZ-MDZRGWNJSA-N 493.820 6.024 50 10 JKGE FCCOc1cccc([C@@H](Cl)c2c(Br)sc(Br)c2Cl)c1 2189516404 CAIBVXHIBCATRP-SNVBAGLBSA-N 462.993 6.603 50 10 JKGE FC(F)(F)[C@@H]1OC2([C@@H](Br)c3c(Cl)sc(Br)c3Cl)CC1C2 2193097027 WMDIHPAEKZFBQD-DTQPGTOQSA-N 474.951 6.363 50 10 JKGE CC1(C)CC[C@H](CO[C@@H](CI)c2cccc(Br)c2)OC1 2197343200 TYHZCBDHJOQPBE-CABCVRRESA-N 453.158 5.147 50 10 JKGE Cc1cc(Br)c(C)c([C@H](Br)C2(CC(F)F)CCC2)c1Br 2201068361 QSUNHOXYJBNPJK-AWEZNQCLSA-N 475.009 7.090 50 10 JKGE CCOc1cc(CBr)cc(Br)c1OC[C@]1(Br)CC1(F)F 2202511474 XDJUOQGNONFHMT-GFCCVEGCSA-N 478.953 5.294 50 10 JKGE Cc1c(Br)ccc([C@@H](Br)c2ccccc2C(C)C)c1Br 2203690487 DKRUWKMUTVREGG-KRWDZBQOSA-N 461.035 7.128 50 10 JKGE CCn1ncc(Br)c1[C@H](Br)c1sc(Br)c(C)c1C 2218784259 XDAKVJVBADHMCC-VIFPVBQESA-N 457.029 5.591 50 10 JKGE Cc1sc(Br)c(C)c1[C@H](Cl)c1cc(Br)ccc1Br 2218805674 MNTDACHSNRTHJV-GFCCVEGCSA-N 473.455 6.981 50 10 JKGE Brc1sccc1[C@H](Br)c1ccc2c(c1Br)CCO2 2222198893 RVKWTHFAUMSLNB-GFCCVEGCSA-N 452.993 5.692 50 10 JKGE CC(C)([C@H](Br)c1c(Br)cc(Cl)c(Cl)c1Cl)C(F)(F)F 2224314443 YKVCYILSFAVGIM-SECBINFHSA-N 463.346 7.434 50 10 JKGE Fc1cc([C@@H](Cl)c2cc(Br)c(Br)cc2F)ccc1Br 2225632931 GJCZCHTZJJRMJT-CYBMUJFWSA-N 475.352 6.581 50 10 JKGE C[C@@H]1CCC[C@@H](COc2c(Br)cc(Br)cc2CBr)O1 2226841258 TZGDXFJGUJULOM-SKDRFNHKSA-N 457.000 5.443 50 10 JKGE CCOCc1cc(Br)c([C@H](Cl)c2nn(C)c(Cl)c2Br)s1 2233022247 OWRBDWOHRXRTFC-SECBINFHSA-N 463.022 5.525 50 10 JKGE CO[C@@H]1C[C@@H]([C@@H](Br)c2cc(Br)c(Br)cc2F)C12CCC2 2233975659 LJVZLVVSNSLLSO-FZZIBODNSA-N 471.002 5.992 50 10 JKGE Fc1cc(Br)c(Br)cc1[C@H](Br)[C@@H]1OCC[C@H]1C(F)(F)F 2240516899 VOKICCNRIQIVAX-LIEZGIJOSA-N 484.907 5.754 50 10 JKGE Cc1cc([C@H](Br)c2scc(Br)c2Cl)sc1Br 2242671646 VPNUEKMWYDHCQD-ZETCQYMHSA-N 465.457 6.781 50 10 JKGE Cl[C@H](Cc1cc(Br)cc(Br)c1)c1csc(Br)c1 2252829655 LMKNNBIVEKPDPT-LLVKDONJSA-N 459.428 6.558 50 10 JKGE COCc1cc(Br)c([C@H](Br)c2scc(Br)c2Cl)s1 2253597027 FFIBBUMAGYRFHC-QMMMGPOBSA-N 495.483 6.619 50 10 JKGE CCCc1ccc([C@H](Br)c2sc(Br)cc2Br)cc1 2256249921 BUDGRJFKZWBJOO-ZDUSSCGKSA-N 453.037 6.710 50 10 JKGE Cc1cc(Br)c([C@@H](Br)c2cc(Br)c(C)s2)c(C)c1F 2264474964 YOBGLWKMTZHVIP-ZDUSSCGKSA-N 471.027 6.822 50 10 JKGE Cc1cc(Cl)c(Cl)cc1[C@H](Br)c1c(Cl)sc(Br)c1Cl 2270960059 JNAKYPNNALFIKV-VIFPVBQESA-N 483.867 7.917 50 10 JKGE Cc1cc([C@@H](Cl)c2c(F)cc(Br)c(F)c2Br)sc1Br 2272722648 UTJDTNALCQOLJM-SNVBAGLBSA-N 495.408 6.950 50 10 JKGE COCC1([C@H](Br)c2ccc(Br)cc2Br)CC(F)(F)C1 2278181925 AGWUUZOXVLXPRC-LLVKDONJSA-N 462.954 5.710 50 10 JKGE COC1([C@H](Br)c2c(C)c(Br)cc(C)c2Br)CC(CF)C1 2281167620 CHVIYMYOSSZMQJ-CIQACWJJSA-N 473.018 6.029 50 10 JKGE COc1ccc([C@H](Br)c2cccc(Br)c2F)c(Br)c1Cl 2283563446 SIQKFMDBZZBYSW-NSHDSACASA-N 487.388 6.497 50 10 JKGE O=[N+]([O-])c1ccccc1C[C@@H](Br)c1ccc(Cl)c(I)c1 2283623119 URXXUYMGCJZBIX-LLVKDONJSA-N 466.500 5.532 50 10 JKGE COc1ccc([C@H](Br)[C@@H]2CC(C)(C)OC2(C)C)cc1I 2285010510 QZZLZQKBHKHWQU-FZMZJTMJSA-N 453.158 5.330 50 10 JKGE COc1c(C(C)C)cc(Br)cc1[C@H](Br)c1cc(Br)co1 2285994355 WYYCNQJDFZKIBC-AWEZNQCLSA-N 466.995 6.421 50 10 JKGE CSc1ccc([C@H](Br)c2c(F)cc(Br)c(F)c2Br)cc1 2288376443 NBYLFWJNAYJBCY-LBPRGKRZSA-N 487.001 6.696 50 10 JKGE N#CC(=Cc1ccc(OC(=O)c2ccc(Cl)cc2)cc1)C(=O)Nc1ccccc1C(F)(F)F 2295187820 VUABVZXBIZZVAD-UHFFFAOYSA-N 470.834 6.124 50 10 JKGE CO[C@@H]1C[C@@H]([C@H](Br)Cc2cc(Br)cc(Br)c2)C12CCC2 2295329719 LZOKPBWGCMKNKX-RRFJBIMHSA-N 467.039 5.723 50 10 JKGE COc1cc(C=C(C#N)c2nc(-c3ccc(Cl)c(Cl)c3)cs2)cc(Br)c1O 2296801354 BJNNPNDHIPUYAW-UHFFFAOYSA-N 482.186 6.658 50 10 JKGE Cc1cccc(C)c1NC(SCc1cccc(F)c1)=C(C#N)S(=O)(=O)c1ccccc1 2297350092 UYMFCLOLKKOEOL-UHFFFAOYSA-N 452.576 5.954 50 10 JKGE Cc1cc(C=C(C#N)C(=O)Nc2ccc(C(=O)O)cc2)c(C)n1-c1cc(C(F)(F)F)ccc1Cl 2297382197 UELBPGLOVNHVCT-UHFFFAOYSA-N 487.865 6.010 50 10 JKGE CCCCOC(=O)c1ccc(NC=C(C#N)c2nc(-c3cc4ccccc4oc3=O)cs2)cc1 2297482036 VDWOIEIEZKCJLD-UHFFFAOYSA-N 471.538 5.850 50 10 JKGE CCOC1CC([C@H](Br)c2ccc(OCc3ccccc3)cc2Br)C1 2299506315 AMVJSEOMVPMYOF-LAGYLCCXSA-N 454.202 6.279 50 10 JKGE Brc1ccc(OCc2ccccc2)c([C@@H](Br)[C@@H]2[C@H]3CCCC[C@H]32)c1 2299510446 RATHXYRKGINITF-SQBLYHGDSA-N 450.214 6.900 50 10 JKGE FC(F)C1CC(C[C@H](Br)c2sc(Cl)cc2I)C1 2300957751 SBVGMBLMAITUBD-AHXFUIDQSA-N 455.533 6.124 50 10 JKGE COc1cc(C=C(C#N)c2ccc(C)cc2)cc(Br)c1OCc1ccccc1Cl 2313521343 HRSOTXBPQCNJLQ-UHFFFAOYSA-N 468.778 7.063 50 10 JKGE Cc1cccn2c(=O)c(C=C(C#N)c3nc4ccccc4[nH]3)c(Oc3ccccc3Cl)nc12 2314436837 MXAPQUBURBFWDW-UHFFFAOYSA-N 453.889 5.389 50 10 JKGE CC1=C(C#N)C(=O)N(C(C)C)C(=O)C1=Cc1cn(-c2ccccc2)nc1-c1ccc2ccccc2c1 2314610792 MJDJIZXNJFILGS-UHFFFAOYSA-N 472.548 5.693 50 10 JKGE CCCCCN1C(=O)C(=Cc2ccc(OCc3ccc(Cl)cc3)c(OC)c2)C(C)=C(C#N)C1=O 2314611461 UPZCJPSCZHKDSW-UHFFFAOYSA-N 478.976 5.710 50 10 JKGE COc1ccc(C=CC(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@@H]3c2ccc(Cl)c(Cl)c2)cc1 2314634633 RKPKKQAZNJJGCW-RUZDIDTESA-N 493.346 5.839 50 10 JKGE CCCCCCOc1ccc(C=C(C#N)C(=O)Nc2sc3c(c2C#N)CC[C@H](C)C3)cc1OC 2314730786 RJHXFAQLRYMXCZ-SFHVURJKSA-N 477.630 6.258 50 10 JKGE Fc1cc(Cl)c([C@@H](Br)c2cc(Br)c(Cl)s2)c(Cl)c1 2318360275 ZYVVLZCEJOSLBZ-JTQLQIEISA-N 453.385 7.094 50 10 JKGE Cc1scc([C@H](Br)[C@@H](C)c2ccncc2Br)c1Br 2320423431 KJWSZWMDWCHRHE-JVXZTZIISA-N 454.025 6.216 50 10 JKGE Cc1cc(Br)ccc1NC=C(C#N)C(=O)Nc1ccc(I)cc1C 2325409462 VYEXMWPAEVKGQJ-UHFFFAOYSA-N 496.146 5.129 50 10 JKGE CCOC(=O)c1c(NC(=O)C(C#N)=Cc2cccc(F)c2)sc(C(=O)Nc2ccccc2)c1C 2329674500 KANAPBZYKPIFBQ-UHFFFAOYSA-N 477.517 5.170 50 10 JKGE N#CC(=C(O)C=Cc1ccc(OCc2ccccc2)cc1)c1nc(-c2cccc3ccccc23)cs1 2331339563 QLEBGMFBMRKGIF-UHFFFAOYSA-N 486.596 8.048 50 10 JKGE CCOc1ccc(C=C(C(O)=C(C#N)c2nc(-c3ccc(C(C)C)cc3)cs2)c2ccccc2)cc1 2331340892 YFPSDQNRUROSCV-UHFFFAOYSA-N 492.644 8.366 50 10 JKGE N#CC(=C(O)c1ccccc1Br)c1nc(-c2ccc(Oc3ccccc3)cc2)cs1 2331358809 QQSYQWHEARYAEC-UHFFFAOYSA-N 475.367 7.315 50 10 JKGE CCOc1ccc(OCC)c(-c2csc(C(C#N)=C(O)CCCOc3ccc(CC)cc3)n2)c1 2331376484 IYBPMBOSKLLUOS-UHFFFAOYSA-N 478.614 6.822 50 10 JKGE CCCCc1ccc(-c2csc(C(C#N)=Cc3ccccc3OCc3ccccc3Cl)n2)cc1 2331430275 ZQLFBSCFSFQOBK-UHFFFAOYSA-N 485.052 8.449 50 10 JKGE COc1ccc(-c2csc(C(C#N)=Cc3ccccc3OCc3ccccc3Cl)n2)cc1F 2331455653 DJMFUAVHRZYJLT-UHFFFAOYSA-N 476.960 7.254 50 10 JKGE COc1c(Cl)cc(Cl)cc1-c1csc(C(C#N)=Cc2ccc(C(F)(F)F)cc2)n1 2331467137 JDXWXMSESIHUHZ-UHFFFAOYSA-N 455.288 7.208 50 10 JKGE Fc1cc(F)c([C@H](Br)c2ccc(OCc3ccccc3)cc2Br)cc1F 2336119783 AUYKGMOJUJUXPT-HXUWFJFHSA-N 486.125 6.930 50 10 JKGE COc1cscc1[C@@H](Br)c1c(Cl)cc(Br)c(F)c1Br 2337085339 XDHMPLXQRMKVBQ-SNVBAGLBSA-N 493.417 6.559 50 10 JKGE Cn1ncc(Br)c1[C@@H](Cl)c1c(Cl)cc(Br)c(F)c1Br 2337093285 COIBZFRZXBBEGB-VIFPVBQESA-N 495.799 5.828 50 10 JKGE CCC[C@@H]1C[C@@H]1[C@H](Br)c1c(C)cc(Br)c(OC)c1Br 2339679741 OLXFGSDFIGKFTP-NRUUGDAUSA-N 455.028 6.401 50 10 JKGE CC1CC2(C1)CC(CBr)(Cc1ccc(Cl)cc1I)C2 2341031222 YHHYEOJPZYMUEE-UHFFFAOYSA-N 453.589 6.079 50 10 JKGE ClCc1cnc(OCc2cc(I)ccc2Br)c(Cl)c1 2341551703 GHCIDJNPIJFSSQ-UHFFFAOYSA-N 472.935 5.420 50 10 JKGE CN(Cc1cc(I)ccc1Cl)[C@H](CCBr)C(F)(F)F 2352427160 DWQXDWJXGQAVCK-LLVKDONJSA-N 470.498 5.092 50 10 JKGE COc1cccc(OCc2cc(Br)cc(Br)c2)c1CBr 2362213052 YIKXNSBDYJGDPK-UHFFFAOYSA-N 464.979 5.694 50 10 JKGE Fc1ccc([C@@H](CBr)OCc2cc(Br)cc(Br)c2)cc1 2362240821 RFYRUZQCDOYOQK-OAHLLOKOSA-N 466.970 6.004 50 10 JKGE C[C@H](Br)c1ccccc1NC(=O)c1ccc(Cl)cc1I 2365594398 ZUMBWOSHONOSFD-VIFPVBQESA-N 464.528 5.653 50 10 JKGE Clc1ccc(CN2C[C@H](Br)C[C@H]3CCCC[C@H]32)c(I)c1 2366728738 YEQRETMOGKZDLH-AXAPSJFSSA-N 468.604 5.473 50 10 JKGE CC(C)n1ncc(Br)c1COc1c(Br)cccc1CBr 2368165578 MZKGTPXLCAMSHC-UHFFFAOYSA-N 466.999 5.463 50 10 JKGE FC(F)(F)CC1CCC([C@@H](Br)c2sc(Br)cc2Br)CC1 2381954718 STFVKMZNVPAMMM-OIAXGBPSSA-N 499.028 7.468 50 10 JKGE Cc1c(/C=N\NC(=O)c2cc3c(ccc4ccccc43)o2)c2ccccc2n1Cc1ccccc1C#N 8437733 KUDWZXFZUXJINW-OHUYPAJKSA-N 482.543 6.533 50 10 JKGE CCSc1sc(CC)cc1[C@@H]1C(C#N)=C(N)N(c2ccccc2F)C2=C1C(=O)CC(C)(C)C2 9982025 KSHWCLJFGUISEA-JOCHJYFZSA-N 481.662 6.502 50 10 JKGE COc1cccc(/C=C(/C#N)S(=O)(=O)c2ccccc2)c1OCc1c(Cl)cccc1Cl 33343881 KCGRXLMSSMAHAG-AQTBWJFISA-N 474.365 5.919 50 10 JKGE Cc1c(F)cccc1N1C(=O)CS[C@H]1c1cccc(NC(=O)[C@@H](Cl)c2ccccc2)c1 35927647 GYCLLHIFKIZDCW-UPVQGACJSA-N 454.954 5.831 50 10 JKGE CCCCOc1ccc(C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@H]3c2ccccc2OCC)cc1 38650506 UXFMHDXQDPIMRZ-MHZLTWQESA-N 484.552 5.702 50 10 JKGE CCCOc1ccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4ccccc4Cl)ccc32)cc1 38650599 GGKSOCOPHIGEDV-XMMPIXPASA-N 460.917 5.566 50 10 JKGE N#CC1=C(N)Oc2cc(OC(=O)c3ccccc3F)ccc2[C@H]1c1ccc(OCc2ccccc2)cc1 38650937 QMMYTTWZXCOBLE-MUUNZHRXSA-N 492.506 5.842 50 10 JKGE N#CC1=C(N)Oc2cc(OC(=O)c3ccco3)ccc2[C@@H]1c1cccc(OCc2ccc(Cl)cc2)c1 38686730 KLERDLWCKJYWAT-SANMLTNESA-N 498.922 5.949 50 10 JKGE N#C/C(=C\c1ccc(-c2cc(Cl)cc(Cl)c2)o1)c1nc(-c2ccc3ccccc3c2)cs1 39884994 WSGSXSLDXBJOCP-UDWIEESQSA-N 473.384 8.594 50 10 JKGE Cc1ccc(NC(=O)c2oc3c(c2C)/C(=N/NC(=O)c2ccc(Br)cc2)CCC3)cc1C 40811766 IRBUHCVHTSYXOJ-VFCFBJKWSA-N 494.389 5.690 50 10 JKGE CCc1ccc(OCCCC(=O)N/N=C/c2ccc(OC)c(Br)c2)c(Br)c1 40959312 UFPYTQZBMMLBBJ-YDZHTSKRSA-N 498.215 5.092 50 10 JKGE Cl[C@H](c1ccccc1I)c1cc(Br)sc1Br 71087903 CRFAPSTWLMFXFC-SNVBAGLBSA-N 492.401 6.206 50 10 JKGE C=CCc1ccccc1OCCOc1ccc(Cl)cc1/C=C(/C#N)C(=O)Nc1ccc(C)cc1 96930642 FGEGOZMUBQOKOB-QJOMJCCJSA-N 472.972 6.380 50 10 JKGE BrC[C@H](Cc1ccc(Br)cc1)Cc1ccc(Br)s1 97183211 XADJPCOYTJRLJM-LLVKDONJSA-N 453.037 6.069 50 10 JKGE Fc1ccc(-n2c(CCCl)nc3cc(I)ccc32)c(Br)c1 97353929 LWLMGGYONFJNMS-UHFFFAOYSA-N 479.518 5.313 50 10 JKGE Brc1cccc(Br)c1O[C@@H]1C[C@@H](Br)C12CCCCCC2 97638416 RBULJNMIHHHASP-ZIAGYGMSSA-N 467.039 6.467 50 10 JKGE CCOc1ccccc1N/C=C(\C#N)c1nc(-c2cc3cc([N+](=O)[O-])ccc3oc2=O)cs1 100222582 YTJWOFUUJXAWOF-NTCAYCPXSA-N 460.471 5.200 50 10 JKGE N#C/C(=C/Nc1cc(C(F)(F)F)cc(C(F)(F)F)c1)C(=O)c1ccc(OC(F)(F)F)cc1 100408961 MSFJPHHRHKWXJM-LUAWRHEFSA-N 468.275 6.325 50 10 JKGE COc1ccccc1N/C=C(/C#N)c1nc(-c2cc3c(ccc4ccccc43)oc2=O)cs1 103987034 CEZWFCFJDMFKLI-VKAVYKQESA-N 451.507 6.055 50 10 JKGE Clc1ccc(C[C@H](Br)c2ccccc2I)cc1Cl 104181524 ZZHRLUYWOPNSDP-NSHDSACASA-N 455.948 6.277 50 10 JKGE COc1c(Br)cc(Cl)cc1[C@@H](Br)c1c(Cl)cccc1Cl 109836331 UFEIABNJZJRQPM-CYBMUJFWSA-N 459.392 6.902 50 10 JKGE O=c1[nH]c2cc(Br)c([C@H](Br)c3cc(F)cc(Br)c3)cc2[nH]1 109884127 QNYNZYOIAUXOPQ-CYBMUJFWSA-N 478.941 5.005 50 10 JKGE Cc1cc(Br)c([C@H](Br)c2cc(Br)ccc2Cl)s1 114961665 OTPDDWSTZKQCRC-LLVKDONJSA-N 459.428 6.719 50 10 JKGE Cc1cc(Br)c([C@@H](Br)c2ccc(Br)o2)cc1Br 128810764 PHFKQYLMJGDGTG-GFCCVEGCSA-N 487.811 6.360 50 10 JKGE N#CC1=C(Nc2ccccc2F)OP(c2ccccc2)(c2ccccc2)(c2ccccc2)N=N1 137956300 DLAYTKNATQGBFG-UHFFFAOYSA-N 466.456 5.772 50 10 JKGE CCOc1cc(Cl)c([C@H](Br)c2cc(C)ccc2Br)cc1Cl 164565633 OVWAVVLHTIXUKC-MRXNPFEDSA-N 453.001 6.947 50 10 JKGE CCOC(=O)c1c(NC(=O)/C(C#N)=C\c2ccc(-c3cccc(F)c3)o2)sc2c1CCCC2 209396939 FOACLYZCGRBADZ-SSZFMOIBSA-N 464.518 5.748 50 10 JKGE CCCCCOc1ccc(/C=C2\C(=O)N(Cc3ccc(OC)cc3)C(=O)C(C#N)=C2C)cc1OCC 214397253 MEMKVCKOEJBXJL-JLPGSUDCSA-N 488.584 5.455 50 10 JKGE COc1ccc([C@H](Br)c2cc(Br)ccc2Cl)c(OC)c1Cl 224656722 MBGZLUQPKRJLLA-ZDUSSCGKSA-N 454.973 6.257 50 10 JKGE FC(F)(F)c1cc(Br)ccc1[C@@H](Br)c1ccc(Br)cc1 229517872 JLTMJTUIJNEIMQ-ZDUSSCGKSA-N 472.924 6.715 50 10 JKGE O=C(N[C@H](CBr)c1ccccc1)c1ccc(Br)cc1Br 232472668 QBBSKTNCOHUWQM-CQSZACIVSA-N 461.979 5.078 50 10 JKGE COc1cc(F)c(Br)cc1[C@@H](Br)c1cc(Cl)cc(Br)c1 234863088 GPXDJFXNHYKZIV-AWEZNQCLSA-N 487.388 6.497 50 10 JKGE COc1cc(Cl)c([C@@H](Cl)c2ccc(Br)cc2Br)cc1Cl 235021211 MNSUHNDSGONZLX-AWEZNQCLSA-N 459.392 6.855 50 10 JKGE O=C(Nc1ccc(Br)c(I)c1)c1ccc(CCl)cc1 305952576 HPIMXVJNXUASMN-UHFFFAOYSA-N 450.501 5.045 50 10 JKGE O=C(OCc1ccccc1)N1C[C@H](CI)[C@H](c2cccc(Cl)c2Cl)C1 382691152 IJAQDPCSHGPEEO-GOEBONIOSA-N 490.168 5.781 50 10 JKGE C[C@H](Cl)c1nc2cc(Br)c(F)cc2n1[C@H]1CN(Cc2ccccc2)C[C@@H]1C 389875344 TUZCJAFRZPVSRQ-YRVVQQKDSA-N 450.783 5.931 50 10 JKGE CC(C)(C)[Si](C)(C)OCCc1cccc([C@H]2CCCCCN2CCO[Si](C)(C)C(C)(C)C)c1 616605730 PQYDYEHVLVNIHX-AREMUKBSSA-N 491.909 8.190 50 10 JKGE C[C@@H](Cl)c1nc2cc(Cl)cnc2n1CC1(N(Cc2ccccc2)Cc2ccccc2)COC1 705608199 DPSNPDKXQSZWSC-LJQANCHMSA-N 481.427 5.856 50 10 JKGE COCc1cc(Br)c([C@@H](Cl)c2cccc(F)c2I)s1 721718448 KAXRSFWRHJBQBV-NSHDSACASA-N 475.548 5.729 50 10 JKGE CCOc1cc(/C=C(/C#N)C(=O)Nc2ccccc2C)cc(Cl)c1OCc1ccccc1Cl 725381216 QJYUKBBZYAYPLE-NDENLUEZSA-N 481.379 6.825 50 10 JKGE Cc1cc(/C=C(/C#N)C(=O)N2CCN(c3ccccc3)CC2)c(C)n1-c1ccc(Cl)c(Cl)c1 1083888987 ZLTIHNZMELUXIK-QNGOZBTKSA-N 479.411 5.657 50 10 JKGE COc1cc(C=NNC(=O)c2ccccc2O)cc(Br)c1OCc1ccc(Cl)cc1 1083912874 QYRJVZIDJGHLIK-UHFFFAOYSA-N 489.753 5.160 50 10 JKGE O=C(NN=Cc1c2ccccc2cc2ccccc12)c1ccc(CSCc2ccccc2)cc1 1083932395 MMTABEVYAMQBRN-UHFFFAOYSA-N 460.602 7.190 50 10 JKGE CC(CC(=O)Nc1ccc(Cl)cc1Cl)=NNC(=O)COc1ccc(Cl)cc1Cl 1084011285 DGXDHLMVVLJJHF-UHFFFAOYSA-N 463.148 5.200 50 10 JKGE CCCC(=NNC(=O)COc1c(C)cc(Br)cc1Br)c1ccccc1 1084025677 GCWBOUFWCGAHES-UHFFFAOYSA-N 468.189 5.219 50 10 JKGE N#C/C(=C\c1ccc(OCc2ccc3c(c2)OCO3)cc1)C(=O)Nc1cccc(Cl)c1Cl 1084483960 HXFMKTYWWDFIQO-LICLKQGHSA-N 467.308 5.847 50 10 JKGE C[C@H](Oc1ccc(Cl)cc1Cl)C(=O)NN=Cc1ccc(Sc2nc3ccccc3s2)o1 1084601253 AHHXAABNBOUQFU-LBPRGKRZSA-N 492.409 6.265 50 10 JKGE FC(F)(F)Oc1ccccc1[C@@H]1CN(Cc2ccccc2)C[C@@H]1CI 1614621712 HZMJZDKVUPDMMK-DOTOQJQBSA-N 461.265 5.236 50 10 JKGE Cc1c(C(=O)Nc2cc(Cl)cc(Cl)c2)oc2c1C(=NNC(=O)c1ccccc1F)CCC2 1772743969 MXGQCIHITYATKL-UHFFFAOYSA-N 474.319 5.757 50 10 JKGE Cc1c(C(=O)Nc2cccc3ccccc23)oc2c1C(=NNC(=O)c1ccc([N+](=O)[O-])cc1)CCC2 1772744480 DTXKGJJLBIGCAI-UHFFFAOYSA-N 482.496 5.372 50 10 JKGE Cc1c(C(=O)Nc2cc(Cl)ccc2Cl)oc2c1C(=NNC(=O)c1ccc(O)cc1)CCC2 1772745273 VLRSEEOLTQDWFB-UHFFFAOYSA-N 472.328 5.323 50 10 JKGE Cc1cc(O[C@H](C)C(=O)NN=Cc2ccc(OCc3ccccc3Cl)cc2)cc(C)c1Cl 1772755614 AHDFQQKUBSAONQ-GOSISDBHSA-N 471.384 6.107 50 10 JKGE CCOc1cccc(C(=O)Nc2cccc3c(OC(=O)Nc4ccc(SC#N)cc4)cccc23)c1 1858777964 PUWRLFRPLJBCHX-UHFFFAOYSA-N 483.549 6.675 50 10 JKGE Cc1ccc(C)c(Cn2nc(-c3ccccc3)c3c2OC(N)=C(C#N)[C@H]3c2ccc(C(C)(C)C)cc2)c1 1865682094 FWSDIGXNOGHMAR-HHHXNRCGSA-N 488.635 6.731 50 10 JKGE Cc1ccc(Cn2nc(-c3ccccc3)c3c2OC(N)=C(C#N)[C@@H]3c2ccc(C(C)(C)C)cc2)cc1 1865682239 JODFGUVQCUSYCT-SANMLTNESA-N 474.608 6.423 50 10 JKGE CCCc1nn(Cc2cccc(Cl)c2)c2c1[C@@H](c1c(F)cccc1Cl)C(C#N)=C(N)O2 1865682269 KRXUIEGSMXMMOW-LJQANCHMSA-N 457.336 5.548 50 10 JKGE N#CC1=C(N)Oc2c(c(-c3ccccc3)nn2-c2cccc3ccccc23)[C@@H]1c1cccc(Cl)c1 1865683310 IOCLTGVXSXTJBF-RUZDIDTESA-N 474.951 6.564 50 10 JKGE N#CC1=C(N)Oc2c(c(C(F)(F)F)nn2Cc2cccc(Cl)c2)[C@H]1c1cccc(Cl)c1 1865684306 WGONTDBRBXLTOL-INIZCTEOSA-N 465.262 5.475 50 10 JKGE CCc1nn(-c2ccc(Br)cc2)c2c1[C@@H](c1ccccc1Cl)C(C#N)=C(N)O2 1865685302 HVRIAVKZHIAFHW-SFHVURJKSA-N 455.743 5.069 50 10 JKGE CCCCc1ccc(-c2csc(/C(C#N)=C(\O)[C@H]3CC(=O)N(Cc4ccccc4)C3)n2)cc1 1872744849 LDQCMRMGQOEUMO-NFLAHJKKSA-N 457.599 5.994 50 10 JKGE COc1cc(-c2csc(/C(C#N)=C(O)/C=C\c3ccc(Cl)cc3)n2)c(OC)cc1Cl 1872754659 CTPTYXPCTWHSRZ-YBVABGLXSA-N 459.354 6.640 50 10 JKGE Cc1ccc(-c2csc(/C(C#N)=C(\O)CN3C(=O)COc4ccc(Cl)cc43)n2)cc1C 1872756004 AASQRFSHYIVIIX-JZJYNLBNSA-N 451.935 5.299 50 10 JKGE CCCCCOc1ccc(/C=C(\C#N)c2nc(-c3ccc(OC)c(C)c3C)cs2)cc1OCC 1872793256 QKDKMCGUGDPQEP-PXLXIMEGSA-N 476.642 7.467 50 10 JKGE Cl[C@H](c1cc(Br)sn1)c1ccc(OCc2ccccc2)cc1Br 1899877354 QTZHPJCIGNXNDP-KRWDZBQOSA-N 473.617 6.575 50 10 JKGE C[C@@H](CCl)N(Cc1ccccc1)C(=O)c1csc(Br)c1Br 1914204496 GTDRXPMVTJNHFL-JTQLQIEISA-N 451.611 5.543 50 10 JKGE C[C@H](CCBr)N(Cc1ccccc1)S(=O)(=O)c1ccc(Cl)c(F)c1Cl 1915094573 KQCNQQCOJWWPLC-GFCCVEGCSA-N 469.203 5.497 50 10 JKGE BrC[C@H](C1CC1)N(Cc1ccccc1)c1nccc2c(Br)cccc12 1915190733 YAVSZFLYWOEZRY-HXUWFJFHSA-N 460.213 6.177 50 10 JKGE Fc1cc([C@@H](Br)c2sc(Br)cc2Br)ccc1Cl 1922934933 LASTXZWLQMGLRS-SNVBAGLBSA-N 463.391 6.550 50 10 JKGE Clc1c(Br)sc(Br)c1[C@@H](Br)C(C1CCC1)C1CCC1 1923068690 VIXJGYWKWYLWJX-NSHDSACASA-N 491.514 7.579 50 10 JKGE C[C@H]([C@H](Cl)c1c(Br)sc(Br)c1Br)C(C)(F)F 1924579160 ASLDKXHSIRTVPX-CVYQJGLWSA-N 461.391 6.607 50 10 JKGE CO[C@@H]1C[C@H]1[C@@H](Br)c1c(Br)sc(Br)c1Br 1924608062 CREDBPRDEYGKBG-ZMIZWQJLSA-N 483.845 5.507 50 10 JKGE CCC(CC)C[C@H](Br)c1c(Br)sc(Br)c1Cl 1926356640 UXMZUSAYGCPGEX-ZETCQYMHSA-N 453.465 7.189 50 10 JKGE CCCc1ccc([C@@H](Br)c2csc(Br)c2Br)s1 1945189157 KFHIHIFYUQUNRH-JTQLQIEISA-N 459.066 6.771 50 10 JKGE Clc1ccc(CN(Cc2ccccc2)[C@H](CBr)C2CC2)cc1Br 1979517103 FJZZHNUMMUYJCU-LJQANCHMSA-N 457.637 6.278 50 10 JKGE Cc1c(Cl)cc(CN(Cc2ccccc2)C2(CBr)CCC2)cc1Br 2002243164 XAUXGGHQENFBLS-UHFFFAOYSA-N 471.664 6.731 50 10 JKGE Cn1cc([C@@H](Cl)c2c(Br)sc(Br)c2Cl)c(Br)n1 2005279112 MMCDOXGCGZRSGD-RXMQYKEDSA-N 483.838 5.751 50 10 JKGE Cc1cc(C)c([C@H](Cl)c2cc(I)sn2)c(C)c1Br 2056488297 SZSGXFRUWPRBPY-CYBMUJFWSA-N 456.574 5.764 50 10 JKGE C[C@@H](C1CC1)N(Cc1ccccc1)S(=O)(=O)c1cc(CBr)ccc1Br 2059312003 FCSRNFWEWBMTPR-AWEZNQCLSA-N 487.257 5.333 50 10 JKGE COc1cc([C@H](Br)c2cc(Br)c(C)s2)ccc1Br 2072061634 SMABQMCBRZOJPN-ZDUSSCGKSA-N 455.009 6.074 50 10 JKGE CC(C)(C)OC(=O)N1CCC(CBr)(OCc2cc(Cl)ccc2Br)CC1 2080305311 TUQGFBAQXQMJGF-UHFFFAOYSA-N 497.655 5.784 50 10 JKGE Cc1cc(Br)c(C)c([C@@H](Br)C(F)(F)C(F)F)c1Br 2081071511 OJMSLSGMWOZRHF-SECBINFHSA-N 456.897 6.165 50 10 JKGE Fc1ccc([C@H](Cl)c2cccc(Br)c2Br)c(F)c1Br 2092335293 LNYJBZRRCJGKAA-GFCCVEGCSA-N 475.352 6.581 50 10 JKGE Cc1cc(Br)ccc1[C@@H](Br)c1cc(Br)c(Cl)cc1F 2097835817 VDYZRHBNAQTFFZ-CQSZACIVSA-N 471.389 6.797 50 10 JKGE C[C@H]1[C@@H](C)N(c2c(CCl)ccc(Br)c2Cl)C[C@@H](C)N1Cc1ccccc1 2098116071 FQBPZZNEOYOKTH-OWCLPIDISA-N 456.255 6.329 50 10 JKGE C[C@@H]1Cc2cc([C@H](Br)c3cscc3OCc3ccccc3)cc(Br)c2O1 2100079316 QACRHKVCGRPRCP-XCLFUZPHSA-N 494.248 6.897 50 10 JKGE Cl[C@H](c1c(Br)sc(Br)c1Br)[C@@H]1CCn2ncnc2C1 2108969499 ONTMXJTZDTVTCK-ANLVUFKYSA-N 490.446 5.170 50 10 JKGE Clc1ccc(I)c(CN2C[C@H](Br)C3(CCCC3)C2)c1 2117749938 TYBCIPOIDKNYDK-AWEZNQCLSA-N 454.577 5.084 50 10 JKGE CCO[C@@H]1CC[C@@H]([C@H](Br)c2cc(Br)c(C)cc2Br)C1 2118272960 VCTNRRIYTVYRFV-HFAKWTLXSA-N 455.028 6.161 50 10 JKGE Cc1cc(Br)c(C)c([C@@H](Br)C[C@@H]2C[C@H]3C[C@H]3C2)c1Br 2136371285 NHBOPNNTACSEOA-OPDFLTKYSA-N 451.040 6.701 50 10 JKGE COc1cc(F)c([C@H](Br)c2ccc(Br)cc2)cc1Br 2138162299 SVKKPILNGFCHOQ-CQSZACIVSA-N 452.943 5.844 50 10 JKGE Cc1cccc([C@H](Br)c2cc(Cl)c(F)cc2Cl)c1I 2139427637 ZMTAIRBURZGNHL-ZDUSSCGKSA-N 473.938 6.530 50 10 JKGE BrCC(CBr)(CCSC1CCCC1)c1cccc(Br)c1 2149129402 LAZJYVPBYBRKQX-UHFFFAOYSA-N 485.123 6.543 50 10 JKGE CC(C)(C)C[C@@H](CBr)CNC(=O)c1cc(Br)ccc1Br 2156326275 LVLVMMKYPHXWKO-JTQLQIEISA-N 470.043 5.389 50 10 JKGE Brc1ccc(Br)c(C[C@@H]2CCc3ccccc3[C@H]2Br)c1 2175143924 GPMXMPCKFJLSPV-SJCJKPOMSA-N 459.019 6.453 50 10 JKGE CC(C)(C)[C@@H]1CC[C@@H](Br)[C@@H](Cc2cc(Br)ccc2Br)C1 2175145593 VUUJUBBDJVKCDN-NJZAAPMLSA-N 467.083 6.980 50 10 JKGE O=C(NC[C@]1(F)CC[C@H](CBr)CC1)c1csc(Br)c1Br 2178579246 JHYZRYOYKKDNNZ-XCSCGOTBSA-N 492.046 5.296 50 10 JKGE Cc1nn(C)c(Br)c1[C@@H](Br)c1c(Br)cc(F)c(Cl)c1F 2201618418 IXEZHQBLWLWEQZ-SECBINFHSA-N 493.371 5.669 50 10 JKGE FC(F)C1CC([C@H](Br)c2c(Br)sc(Br)c2Cl)C1 2217479714 ANQDEXQPLNCYER-DGZDMUDUSA-N 473.402 6.654 50 10 JKGE Cc1cc([C@H](Br)c2cc(Br)sc2C)cc(C)c1Br 2220199489 BIWJNEMAUFUYKY-AWEZNQCLSA-N 453.037 6.683 50 10 JKGE Cc1sc([C@H](Br)c2c(Cl)sc(Cl)c2Cl)c(Br)c1C 2221836522 MZRVRCIFCZUWIO-SSDOTTSWSA-N 469.478 7.633 50 10 JKGE CC1([C@@H](Br)c2c(Br)cc(Cl)c(Cl)c2Cl)CCOCC1 2224304899 NYFPLLNJBLLWBV-LBPRGKRZSA-N 451.413 6.662 50 10 JKGE C[C@@]1([C@@H](Br)c2c(Br)cc(Cl)c(Cl)c2Cl)CCCCO1 2224309431 BHZNJNMCMXRCTN-STQMWFEESA-N 451.413 6.805 50 10 JKGE CC1(C)[C@@H]([C@@H](Br)c2c(Br)cc(Cl)c(Cl)c2Cl)C1(F)F 2224319187 CXZATNDZEIRVBX-OIBJUYFYSA-N 457.367 7.137 50 10 JKGE Cc1ccc([C@H](Br)Cc2cccc(Cl)c2F)cc1I 2224631667 TZRQIRZIMVADBJ-GFCCVEGCSA-N 453.520 6.071 50 10 JKGE Fc1cc(Br)c(Br)cc1[C@H](Br)[C@H]1CCCCC12CC2 2225616432 FYECVBFWSZNOAL-YGRLFVJLSA-N 455.003 6.757 50 10 JKGE Fc1cc(Br)c(Br)cc1[C@H](Br)[C@H]1CC12CCOCC2 2225636006 YVPLSFIMTCTYOE-RNCFNFMXSA-N 456.975 5.603 50 10 JKGE COc1cc(Br)c([C@H](Cl)c2ccccc2I)cc1C 2227731200 MXWQLGAOLKYHRN-OAHLLOKOSA-N 451.529 5.699 50 10 JKGE CC(C)[C@@H]1CCC[C@H]1[C@H](Br)c1c(Br)cc(Cl)c(Cl)c1Cl 2232509937 FMESMSJUDZUDRE-RWEMILLDSA-N 463.468 7.918 50 10 JKGE Fc1ccccc1C[C@@H](Br)c1c(Br)cc(Cl)c(Cl)c1Cl 2232510140 GHKRKNPWPYVWFX-MRVPVSSYSA-N 461.383 7.227 50 10 JKGE CCOCc1cc(Br)c([C@@H](Br)c2ccc(Cl)cc2Cl)s1 2233021696 YYEXIWZANTWKHF-ZDUSSCGKSA-N 459.030 6.838 50 10 JKGE Brc1cccc(CN2CC[C@@H]3[C@@H](Br)CCC[C@@H]3C2)c1Br 2233851904 CVFVAEXOIWHSIB-XBFCOCLRSA-N 466.055 5.597 50 10 JKGE COCc1cccc([C@@H](Br)c2cc(Br)c(Br)cc2F)c1 2233976976 RPEXBCDPLYSIEI-OAHLLOKOSA-N 466.970 5.981 50 10 JKGE COc1cc(C)ccc1[C@H](Br)c1cc(Br)c(C)cc1Br 2233982685 YUWBCWNDJXJPFF-INIZCTEOSA-N 463.007 6.321 50 10 JKGE Cc1cc(Br)c([C@H](Br)[C@@H]2CCCCC2(F)F)c(C)c1Br 2235604041 MGMLZUMLINUEGX-IINYFYTJSA-N 475.009 7.090 50 10 JKGE Cc1cc(Br)c([C@H](Br)c2ccc(F)cc2Cl)c(C)c1Br 2235605497 SBVNBRSBEDPPRL-OAHLLOKOSA-N 485.416 7.105 50 10 JKGE BrC[C@@H]1C[C@@H]2CCCC[C@@H]2N1Cc1ccc(Br)cc1Br 2240680049 RLZOQHXGIXIFMH-PJODQICGSA-N 466.055 5.740 50 10 JKGE COC1CC(CC[C@@H](Br)Cc2cc(Br)cc(Br)c2)C1 2277963968 BEBBTDJKKZNUKR-WBFHCKIUSA-N 455.028 5.723 50 10 JKGE Cc1cc(Br)c([C@H](Br)c2cc(Br)ccc2F)c(C)c1F 2279156235 NKFKROSBYZIXNQ-CQSZACIVSA-N 468.961 6.591 50 10 JKGE COc1ccc([C@@H](Br)c2cc3ccccc3s2)cc1I 2285014978 WCMNIUGRRLVNCF-MRXNPFEDSA-N 459.146 5.999 50 10 JKGE Fc1ccc([C@@H](Br)c2c(F)cc(Br)c(F)c2Br)c(F)c1 2288372677 AQZOJXXUKPAGHO-LLVKDONJSA-N 476.887 6.252 50 10 JKGE COc1cc(C=C(C#N)c2nc3ccccc3[nH]2)ccc1OCc1c(Cl)ccc(Cl)c1Cl 2293190887 QBMFQRFZZQPKLF-UHFFFAOYSA-N 484.770 7.175 50 10 JKGE COc1cccc(C=C(C#N)c2nc3ccccc3[nH]2)c1OCc1ccc(Cl)cc1Cl 2296441852 YQNLSHNSKHHOAD-UHFFFAOYSA-N 450.325 6.521 50 10 JKGE N#CC(C(=O)Nc1ccccc1Cl)=C1S[C@@H](Cc2ccc(Cl)cc2)C(=O)N1c1ccccc1 2296507003 OSTOWPRTILEEHY-QFIPXVFZSA-N 494.403 6.058 50 10 JKGE CCSc1ccc(-c2nn(-c3ccccc3)cc2C=C(C#N)C(=O)c2nc3ccccc3s2)cc1 2296732351 YSGWITHEWNRTSW-UHFFFAOYSA-N 492.629 7.051 50 10 JKGE N#CC(C(=O)Nc1ccccc1Cl)=C1S[C@@H](Cc2ccccc2)C(=O)N1c1ccccc1 2296834441 NPBBHNLRFKOSBH-QFIPXVFZSA-N 459.958 5.405 50 10 JKGE Cc1cc(C=C(C#N)C(=O)OC[C@H]2CC2(Cl)Cl)c(C)n1-c1ccc(Br)cc1 2297393946 YVDPGYDREIOANH-MRXNPFEDSA-N 468.178 5.501 50 10 JKGE Clc1c(Br)sc(Br)c1[C@@H](Br)[C@H]1C[C@@H]2CC[C@H]1C2 2298421302 IJMYBYSSDMQSNN-XKBZYTNZSA-N 463.460 6.799 50 10 JKGE CCCN[C@H](c1ccc(OCc2ccccc2)cc1Br)[C@H]1C[C@@H]1Br 2299501987 SPAPRELQJCYPSA-YSIASYRMSA-N 453.218 5.852 50 10 JKGE CCc1cc(Br)c([C@@H](Br)c2csc(C)c2Br)s1 2303633721 HYYUEXNCWDUOEK-NSHDSACASA-N 459.066 6.690 50 10 JKGE COc1cc(C=C(C#N)C(=O)Nc2ccccc2)cc(Br)c1OCc1ccccc1Cl 2313521540 VSVRTJKVYJETPN-UHFFFAOYSA-N 497.776 6.236 50 10 JKGE CCOC(=O)c1ccc(-c2ccc(C=C(C#N)C(=O)Nc3ccc(Cl)c(Cl)c3)o2)cc1 2313630463 AHHVCNJLVUIVRO-UHFFFAOYSA-N 455.297 5.976 50 10 JKGE CC1=C(C#N)C(=O)N(C[C@@H]2CCCO2)C(=O)C1=Cc1ccc(-c2cc(Cl)ccc2Cl)o1 2314618605 QGGMTILMSZLIQH-INIZCTEOSA-N 457.313 5.025 50 10 JKGE CCOC(=O)C(C#N)=Cc1ccc(OC(=O)CCCOc2cc(C)c(Cl)c(C)c2)c(OCC)c1 2314772549 HHFUUBQNGQEFHD-UHFFFAOYSA-N 485.964 5.590 50 10 JKGE CCCCCCOc1ccc(C=C(C#N)C(=O)Nc2nc(-c3ccc(F)cc3)c(C)s2)cc1OC 2314793074 LULPYYDMDOMYDC-UHFFFAOYSA-N 493.604 6.771 50 10 JKGE BrC[C@H]1CCCCCN1Cc1ccc(I)c(Br)c1 2325212605 PNGNQSFYJPTHIY-GFCCVEGCSA-N 487.017 5.193 50 10 JKGE C[C@H]1CCCC[C@@]1(CBr)Cc1ccc(I)c(Br)c1 2325222469 SAOPHYVPQSCTBI-NHYWBVRUSA-N 486.029 6.188 50 10 JKGE Cc1cc(Br)ccc1NC=C(C#N)C(=O)Nc1ccccc1Sc1ccccc1 2325339562 FLSMHQQSPAGJFA-UHFFFAOYSA-N 464.388 6.367 50 10 JKGE N#CC(=Cc1cc2c(cc1[N+](=O)[O-])OCCO2)c1nc(-c2ccc(-c3ccccc3)cc2)cs1 2331414701 ZUCPDLXHGAKNMD-UHFFFAOYSA-N 467.506 6.221 50 10 JKGE CCOc1cc(C=C(C#N)c2nc(-c3ccc(Cl)cc3)cs2)ccc1OCc1ccccc1C 2331439944 HZZNUIBCINVJSH-UHFFFAOYSA-N 487.024 7.814 50 10 JKGE Cc1ccccc1COc1ccc(C=C(C#N)c2nc(-c3c(C)c(C)cc(C)c3C)cs2)cc1 2331468500 SDTUDHAIBAFOLT-UHFFFAOYSA-N 464.634 7.995 50 10 JKGE COc1ccc(-c2csc(C(C#N)=Cc3cccc(OCc4ccccc4)c3)n2)c(OC)c1OC 2331492684 GSHGBLJSXFFMKE-UHFFFAOYSA-N 484.577 6.479 50 10 JKGE CCCN[C@@H](c1c(F)cc(Br)c(F)c1Br)[C@@H]1C[C@@H]1Br 2334742159 DIIWCPBWCCFZFZ-DDZXGWPLSA-N 461.970 5.314 50 10 JKGE Brc1cc(OCc2ccccc2)ccc1[C@@H](Br)c1cc2ncccc2s1 2336038731 QEQPZVZIWITNQB-OAQYLSRUSA-N 489.232 7.122 50 10 JKGE COc1ccccc1C[C@H](Br)c1cc(Br)ccc1OCc1ccccc1 2336075921 SZNCXWMRVMHWIZ-FQEVSTJZSA-N 476.208 6.715 50 10 JKGE COc1ccnc(Oc2cc(Br)cc(I)c2)c1CBr 2338753871 AUPUQWNXEYFVHW-UHFFFAOYSA-N 498.940 5.145 50 10 JKGE COc1ccccc1C[C@H](Br)c1ccc(Cl)cc1I 2340060105 ZJCSBGAIFAAMQZ-ZDUSSCGKSA-N 451.529 5.632 50 10 JKGE Fc1ccccc1[C@@H](Br)CCc1ccc(Cl)cc1I 2341059575 MGTYDWYXBKSZJL-ZDUSSCGKSA-N 453.520 6.153 50 10 JKGE Cc1cc(Br)c(CBr)c(OCc2cccc(I)c2)c1 2341793704 XFDNWWJLFQLMFA-UHFFFAOYSA-N 495.980 5.836 50 10 JKGE CC[C@H]1CN(C(=O)OCc2ccccc2)[C@@H](CC)CN1CC1(CBr)CC(C)(C)C1 2345004159 GWLNGCNYWKAXCA-SFTDATJTSA-N 465.476 5.699 50 10 JKGE CC(C)Oc1cccc([C@@H](Br)c2ccc(OCc3ccccc3)cc2Br)c1 2361199506 AHLMIWRPLKHLLN-HSZRJFAPSA-N 490.235 7.300 50 10 JKGE Fc1c(Br)cc(Cl)c([C@H](Br)C[C@@H]2CCCC23CC3)c1Br 2362231241 DNRCBFWDPSEILA-DTWKUNHWSA-N 489.448 7.411 50 10 JKGE CC1(C)OCCC[C@H]1[C@H](Br)c1c(Cl)cc(Br)c(F)c1Br 2362232786 RXFSSTOVKWUPMA-CPCISQLKSA-N 493.436 6.645 50 10 JKGE Fc1c(Br)cc(Cl)c([C@H](Br)[C@@H]2C[C@H]3C[C@H]2[C@@H]2C[C@H]32)c1Br 2362252237 DSFZJVKRJDYBAK-NHUJRCOKSA-N 487.432 6.732 50 10 JKGE Clc1ccc(CN2[C@H](CBr)C[C@@H]3CCCC[C@H]32)cc1I 2362369482 YDUKGAZTEFZJDW-HEHGZKQESA-N 468.604 5.473 50 10 JKGE Cc1c([C@H](Br)Cc2ccc(Br)cc2Cl)ccc(Cl)c1Cl 2364403223 PPRHEOLJBCGORE-GFCCVEGCSA-N 457.420 7.396 50 10 JKGE CCN(c1cc(OC)cc(Cl)c1CBr)C1CCN(Cc2ccccc2)CC1 2365802683 GBBHOACBTPSSEP-UHFFFAOYSA-N 451.836 5.734 50 10 JKGE CC(C)(C)[C@]1(CBr)CCN(Cc2ccc(Cl)cc2I)C1 2366738398 MEBMXVQPZOLFDJ-INIZCTEOSA-N 470.620 5.578 50 10 JKGE FC1(F)[C@H]2C[C@@H](CO[C@@H](CI)c3ccc(Br)cc3)C[C@H]21 2369982989 QIHWCUSTIMGENQ-VZLIPTOUSA-N 457.096 5.233 50 10 JKGE Cc1ccc(C[C@@H]2S/C(=C(\C#N)C(=O)Nc3ccc(F)cc3)N(c3ccccc3)C2=O)cc1 2329327 WSGBLUHFRIPAQA-GPSDDGMOSA-N 457.530 5.199 50 10 JKGE CCSc1ccsc1[C@H]1C(C#N)=C(N)N(c2c(F)cccc2F)C2=C1C(=O)CC(C)(C)C2 9982399 VMBNIYSTABPKLD-IBGZPJMESA-N 471.598 6.079 50 10 JKGE CCCCOc1ccc(C(=O)NNC(=O)C(c2ccccc2)c2ccccc2)cc1Br 14041254 YVFHMZUAZIFXCH-UHFFFAOYSA-N 481.390 5.221 50 10 JKGE CCOC(=O)/C(C#N)=C/c1cn(-c2ccccc2)nc1-c1ccc(OCc2ccc(F)cc2)cc1 33375099 MHOCYKRGIHSADO-CJLVFECKSA-N 467.500 5.727 50 10 JKGE CCCOc1ccccc1/C=C(/C#N)C(=O)Nc1ncc(Cc2cccc(Cl)c2Cl)s1 33574858 ZLQYWNQSSGBJKB-BOPFTXTBSA-N 472.397 6.375 50 10 JKGE CCCOc1ccc(-c2nn(-c3ccccc3)cc2/C=C(/C#N)c2nc(O)c3ccccc3n2)cc1C 34983906 PUOBIRTYXCRZFU-XLNRJJMWSA-N 487.563 6.350 50 10 JKGE N#CC1=C(N)Oc2cc(OC(=O)Cc3cccc4ccccc34)ccc2[C@H]1c1cccc([N+](=O)[O-])c1 38653943 COJADTKKBNBAPS-HHHXNRCGSA-N 477.476 5.114 50 10 JKGE CCCOc1cccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)COc4cccc(C)c4C)ccc32)c1 38684467 ONJPRSFDUDSLJX-MUUNZHRXSA-N 484.552 5.295 50 10 JKGE CCCOc1cccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)COc4cccc(C)c4C)ccc32)c1 38684468 ONJPRSFDUDSLJX-NDEPHWFRSA-N 484.552 5.295 50 10 JKGE CCCCCOc1cccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4ccccc4Cl)ccc32)c1 38684769 JVCATXJGUWHPGB-SANMLTNESA-N 488.971 6.346 50 10 JKGE Cc1ccc2c(CC(=O)N/N=C3\CCCc4oc(C(=O)NC5CCCCC5)c(C)c43)coc2c1C 40826668 DEWDAJGMPLQKQL-JBASAIQMSA-N 475.589 5.413 50 10 JKGE CCOc1ccc([C@@H](O)CCC(=O)N/N=C\c2cc(C)n(-c3cccc(Cl)c3C)c2C)cc1 58894446 WPHHVRYRNNTOSX-WWUVGGQHSA-N 467.997 5.419 50 10 JKGE CCCCCOc1ccccc1C(=O)N/N=C/c1c(C)nn(Cc2ccccc2Cl)c1C 59151305 PNYQQRZQESLXFM-JVWAILMASA-N 452.986 5.535 50 10 JKGE COc1cc(/C=C(\C#N)C(=O)Nc2ccccc2C)ccc1OCc1ccc(Cl)c(Cl)c1 59201377 OEVZBFZGZLTQQP-YBFXNURJSA-N 467.352 6.435 50 10 JKGE COc1ccc(/C=C(/C#N)C(=O)N2N=C3/C(=C\c4ccccc4)CCC[C@H]3[C@@H]2c2ccccc2)cc1 89438459 WBSOGOCKXCLARZ-YMMRJHPLSA-N 473.576 6.425 50 10 JKGE CCOC(=O)/C(C#N)=C/c1ccc(OC(=O)/C=C\c2ccc(OCc3ccccc3)cc2)c(OCC)c1 98027889 SEEHHVLCEPDSJD-RLYLSSBSSA-N 497.547 5.753 50 10 JKGE CC1=C(C#N)C(=O)N(Cc2ccccc2Cl)C(=O)/C1=C/c1ccc(-c2ccccc2Cl)o1 101340835 RLWGRTVGJLZENN-XDHOZWIPSA-N 463.320 6.046 50 10 JKGE Fc1cc(Br)cc([C@@H](Br)c2cc3c(cc2Br)OCCO3)c1 109865433 NNRHMRUNJBBMMR-OAHLLOKOSA-N 480.953 5.606 50 10 JKGE COc1ccc(Br)cc1COc1c(Cl)cc(Cl)cc1CBr 110377696 BTAJYXJUQJWUAA-UHFFFAOYSA-N 454.973 6.238 50 10 JKGE Fc1ccccc1C(CBr)(CBr)Cc1cc(Br)cs1 118671673 GEHVCNBQEBCIFJ-UHFFFAOYSA-N 471.027 5.920 50 10 JKGE Cl[C@H](c1ccc2cc(Br)ccc2c1)c1cc(Br)ccc1Br 159669466 KLWHXEBTWZDYPB-QGZVFWFLSA-N 489.432 7.456 50 10 JKGE Cl[C@@H](c1ccc2cc(Br)ccc2c1)c1cc(Br)c(Br)s1 159681693 KWJDLSKMSFDFDZ-AWEZNQCLSA-N 495.461 7.517 50 10 JKGE C[C@H]1C[C@H](c2ccncc2NC(=O)OCc2ccccc2)C[C@H](O[Si](C)(C)C(C)(C)C)C1 204565694 PRXMPDREOFIZON-ILWGZMRPSA-N 454.687 7.124 50 10 JKGE O=C(Nc1ccc(CBr)cc1)c1ccc(I)c(Cl)c1 232349035 KNASGLLIJIJQGG-UHFFFAOYSA-N 450.501 5.092 50 10 JKGE CCOc1ccc(C)cc1[C@H](Br)c1cc(Br)cc(Br)c1 233781812 AMTDHKSRIDLXQO-MRXNPFEDSA-N 463.007 6.403 50 10 JKGE Fc1cc(Oc2ccc(Br)cc2CBr)c(Br)cc1Cl 236158889 UAESBSATJXDSCA-UHFFFAOYSA-N 473.361 6.691 50 10 JKGE CCOc1ccc(-c2cc(C(=O)NN=C(CC)c3cc(O)ccc3O)c3ccccc3n2)cc1 254760035 SPEDFIYCZLWQGN-UHFFFAOYSA-N 455.514 5.256 50 10 JKGE CC(CC(=O)Nc1ccc(Nc2ccccc2)cc1)=NNC(=O)C(=O)Nc1cccc2ccccc12 254764018 QKEDRQCKXNEXGE-UHFFFAOYSA-N 479.540 5.043 50 10 JKGE Cc1c(Br)cccc1[C@H](Br)c1scc(C(F)(F)F)c1Br 312223105 AXPFPCFSWVOPRU-JTQLQIEISA-N 492.980 7.085 50 10 JKGE Cc1ccc([C@H](Br)c2c(Br)cc(F)c(F)c2F)c(Br)c1 398653300 CCRDVDOZBSGXNE-LBPRGKRZSA-N 472.924 6.422 50 10 JKGE Fc1ccc(Br)cc1[C@H](Br)c1c(Br)cc(F)c(F)c1F 398713874 FSPHBKUEYGKTMF-NSHDSACASA-N 476.887 6.252 50 10 JKGE Cl[C@@H](c1cc(Br)c(Br)s1)c1nscc1Br 404711912 NFADNWLNBHRQEP-LURJTMIESA-N 452.418 5.820 50 10 JKGE Brc1cscc1[C@@H](Br)c1ccc(Br)c2ccccc12 404732678 CXHLVODJKFBSCC-HNNXBMFYSA-N 461.016 6.911 50 10 JKGE CC(C)(C)[Si](C)(C)OCCc1ccccc1[C@H]1COCCN(S(=O)(=O)c2ccccc2)C1 616594140 NHCZWRHNUTZRRC-JOCHJYFZSA-N 475.727 5.056 50 10 JKGE C[C@H]1[C@H](C)CC[C@@]23CC[C@]4(C)[C@](OC2=O)([C@H](F)C[C@@H]2[C@@]5(C)C(C#N)=C[C@@](C)(CO)[C@@H]5CC[C@]24C)[C@H]13 653737451 ZPUGQCUKQIJVIH-KXBNEXPFSA-N 483.668 5.993 50 10 JKGE COCc1cc(Br)c([C@H](Br)c2c(F)cc(Br)cc2F)s1 688058252 DFLSSWCRSVGGGU-GFCCVEGCSA-N 490.989 6.182 50 10 JKGE Clc1cccnc1CC(CBr)(CBr)c1cccc(Br)c1 703906262 PNZYGJNWYQFRKS-UHFFFAOYSA-N 482.441 5.768 50 10 JKGE COc1ccc(Br)cc1[C@@H](Cl)c1cccc(F)c1I 721691758 LWISPWGIETWZIY-ZDUSSCGKSA-N 455.492 5.530 50 10 JKGE CCOc1cc(/C=C(/C#N)C(=O)Nc2ccccc2)cc(Cl)c1OCc1cccc2ccccc12 1083901498 UTKNQKOHKUVBQB-HAHDFKILSA-N 482.967 7.017 50 10 JKGE O=C(CCCc1ccccc1)NN=C1C(=O)N(Cc2c(Cl)cccc2Cl)c2ccccc21 1084025689 KNUBLYUOANDYDK-UHFFFAOYSA-N 466.368 5.383 50 10 JKGE C=CCOc1c(Br)cc(/C=C(/C#N)C(=O)Nc2ccc(C)c(C)c2)cc1Br 1084110721 TWQWKUNOVHMXMW-SXGWCWSVSA-N 490.195 5.939 50 10 JKGE Cc1cc2c(cc1C)CN(c1ccc(C(=O)NN=Cc3c4ccccc4cc4ccccc34)cc1)C2 1084311169 YJUXQJDFPIFKDF-UHFFFAOYSA-N 469.588 6.894 50 10 JKGE Cc1cc(C)c2c(CC(=O)NN=C3CCCc4oc(C(=O)Nc5ccccc5F)c(C)c43)coc2c1 1772751953 PPTNMOPTDSYHSN-UHFFFAOYSA-N 487.531 5.742 50 10 JKGE COc1ccc2ccccc2c1C=NNC(=O)CCCOc1ccc(C)cc1Br 1772755524 KTQQABBRJHBMKE-UHFFFAOYSA-N 455.352 5.229 50 10 JKGE N#CC1=C(N)Oc2c(c(C(F)(F)F)nn2Cc2ccccc2Cl)[C@H]1c1ccc(Cl)cc1Cl 1865684979 BQVYXVDUBVELNX-INIZCTEOSA-N 499.707 6.129 50 10 JKGE C=CCOc1ccccc1[C@@H]1C(C#N)=C(N)Oc2c1c(CC)nn2Cc1ccc(Cl)c(Cl)c1 1865691394 QTTPHORWFOVKBO-JOCHJYFZSA-N 481.383 5.584 50 10 JKGE COc1ccc([C@@H]2CN(c3cc(Nc4ccc(SC#N)cc4)nc(C(C)(C)C)n3)CCS2)cc1 1868342117 KUYQILWRISHFOQ-QFIPXVFZSA-N 491.686 6.394 50 10 JKGE O=c1oc2cc(OCc3cccc(CCl)c3)ccc2cc1-c1nc(-c2ccccc2)cs1 1871436941 DJLSCTTUGVZBOR-UHFFFAOYSA-N 459.954 6.901 50 10 JKGE COc1ccc(Cl)cc1N1C[C@@H](/C(O)=C(\C#N)c2nc(-c3ccccc3Cl)cs2)CC1=O 1872746679 SMAMIYLSAIITMY-ACIHENLCSA-N 486.380 5.971 50 10 JKGE CN(C)c1ccc(/C(O)=C(\C#N)c2nc(-c3ccc(Br)cc3)cs2)cc1[N+](=O)[O-] 1872746704 UMIOERXDNKRZJV-CYVLTUHYSA-N 471.336 5.497 50 10 JKGE CCOc1cc(/C=C(\C#N)c2nc(-c3ccccc3Cl)cs2)ccc1OCC(=O)N(CC)CC 1872780605 GBUPYNRLTQHXBA-CPNJWEJPSA-N 496.032 6.174 50 10 JKGE CCCCOc1ccc(/C=C(\C#N)c2nc(-c3ccc(Cl)c(Cl)c3)cs2)cc1OCC 1872790475 KYIIVBOXMKGTLL-WOJGMQOQSA-N 473.425 7.759 50 10 JKGE CCCCCOc1ccc(/C=C(\C#N)c2nc(-c3ccc(OC)c(OC)c3OC)cs2)cc1 1872794975 GXWZSJPZPGSZDI-XDJHFCHBSA-N 464.587 6.469 50 10 JKGE C[C@H](Br)CN(Cc1ccccc1)S(=O)(=O)c1ccc(Br)cc1Cl 1914636343 GDEMLKAKBXLTJH-LBPRGKRZSA-N 481.637 5.077 50 10 JKGE CC(C)[C@H](CBr)N(Cc1ccccc1)C(=O)c1ccc(Cl)cc1C(F)(F)F 1915281571 RVYQMXUPSLADAC-SFHVURJKSA-N 462.737 6.421 50 10 JKGE C[C@H]1CN(Cc2ccccc2)C[C@H](C)N(c2ccc(CBr)cc2Br)C1 1921466051 QJBADLWTDZIFNS-IRXDYDNUSA-N 466.261 5.691 50 10 JKGE CC1(C)C[C@H]([C@H](Br)c2c(Br)sc(Br)c2Cl)C(C)(C)O1 1923060398 CDAILBKLKAAYRK-SVRRBLITSA-N 495.502 6.956 50 10 JKGE Fc1c(Cl)cccc1[C@H](Cl)c1c(Br)sc(Br)c1Br 1924589219 AMXSRPWYDFSGGD-QMMMGPOBSA-N 497.836 7.156 50 10 JKGE Cc1ccc(F)c([C@H](Cl)c2c(Br)sc(Br)c2Br)c1F 1924600085 ODUDXVQXPNZKFG-VIFPVBQESA-N 495.408 6.950 50 10 JKGE FC1(F)CCC[C@H]1C[C@H](Cl)c1c(Br)sc(Br)c1Br 1924612622 CMBXAIYYMUVKAT-WDSKDSINSA-N 487.429 7.141 50 10 JKGE CCn1ncc(Br)c1[C@H](Cl)c1cc(Br)c(Br)s1 1945453920 HGSKMVTXVYEHFR-MRVPVSSYSA-N 463.420 5.580 50 10 JKGE CCC(CC)(CC)[C@@H](Br)c1c(Br)sc(Br)c1Cl 2011185824 CGFZIWHLFMJMKX-VIFPVBQESA-N 467.492 7.579 50 10 JKGE Brc1csc([C@@H](Br)c2ccc(CC3CC3)s2)c1Br 2027408591 MJVROUPBLACSBB-LBPRGKRZSA-N 471.077 6.771 50 10 JKGE Clc1ccc([C@H](Br)c2cccc(Br)c2Br)cc1Cl 2031478670 ICTXZEMNTQDSMH-LBPRGKRZSA-N 473.817 7.003 50 10 JKGE BrCc1ccc(Br)cc1N1CC[C@]2(CCN(Cc3ccccc3)C2)C1 2044885281 QAKKHJGUOHAYTH-NRFANRHFSA-N 464.245 5.446 50 10 JKGE C[C@H](N(Cc1ccccc1)S(=O)(=O)c1cc(CBr)oc1Br)C(C)(C)C 2059264283 CUYSULKHBQNSPT-ZDUSSCGKSA-N 493.261 5.563 50 10 JKGE CC(C)C(CCOC1(CI)CCN(C(=O)OC(C)(C)C)CC1)C(C)C 2068951813 KGNJPDVEYXMSOZ-UHFFFAOYSA-N 467.432 5.526 50 10 JKGE COc1cc(Cl)c([C@H](Br)c2nscc2Br)cc1Br 2082382177 LFBMHSGBLWALNT-JTQLQIEISA-N 476.415 5.814 50 10 JKGE CCOc1ccc([C@@H](Cl)c2ccc(I)c(Br)c2)s1 2086375633 RIMCSLADLKOWCN-ZDUSSCGKSA-N 457.558 5.842 50 10 JKGE BrC[C@@H]1CCC2(CCC2)CN1c1ncc(Br)cc1Br 2095708753 UCWGIGZYWMDCDV-NSHDSACASA-N 453.016 5.141 50 10 JKGE CC(C)(COCc1ccccc1)n1c(CCCl)nc2cc(Br)c(Cl)cc21 2103636616 LMEYMHNZRKBVMZ-UHFFFAOYSA-N 456.211 6.185 50 10 JKGE Clc1ccc(COc2cccc(CBr)c2Br)cc1Br 2110517686 FTCZSHFBGKIHEG-UHFFFAOYSA-N 469.398 6.339 50 10 JKGE C[C@H](c1ccncc1Br)[C@H](Br)c1nn(C)c(Cl)c1Br 2110717362 HFNHWZBLRFLQFS-MUWHJKNJSA-N 472.406 5.233 50 10 JKGE C[C@@H](Cl)c1nc2cc(Cl)c(Br)cc2n1[C@H](C)CCOCc1ccccc1 2112695956 KSPTULKIDBAVHD-ZIAGYGMSSA-N 456.211 6.920 50 10 JKGE CCOc1ccc(Br)cc1[C@H](Br)c1nc(C)sc1Br 2113185725 TVGAQNXPVKHPOZ-NSHDSACASA-N 470.024 5.860 50 10 JKGE Cl[C@@H](c1cc(Br)c2c(c1)CCCO2)c1cc(I)sn1 2120033317 RNNJYNRBABKVDM-LBPRGKRZSA-N 470.557 5.163 50 10 JKGE CN(Cc1cc(Cl)ccc1I)[C@H](CCBr)C(F)(F)F 2122007972 DMQFICXINODMPM-LLVKDONJSA-N 470.498 5.092 50 10 JKGE CCC(CC)(CBr)CN=[S@](=O)(C(C)C)[C@H]1CCN(C(=O)OC(C)(C)C)C1 2126848956 GGRQJBHAVQXWQK-QMTYFTJSSA-N 453.487 5.074 50 10 JKGE BrC[C@@H]1CCN(Cc2c(Br)cccc2Br)C12CCC2 2133810616 NRMVGNVXYRHRSP-NSHDSACASA-N 452.028 5.351 50 10 JKGE Fc1ccc(F)c([C@@H](Br)c2ccc(Br)cc2Br)c1F 2138850112 LKGODEUGJRPFPZ-LBPRGKRZSA-N 458.897 6.113 50 10 JKGE Cl[C@H](c1ccc(-c2cccs2)s1)c1cc(Br)sc1Br 2140971906 UJFQGZIGKKHDKH-LBPRGKRZSA-N 454.661 7.391 50 10 JKGE Clc1cc(C[C@@H]2CCCCCCC[C@H]2Br)ccc1I 2142952711 JYZBSIFZKWRHIF-UONOGXRCSA-N 455.605 6.611 50 10 JKGE COc1cc(Br)c(C)cc1[C@@H](Br)c1c(C)cccc1Br 2145961201 IDDZNHMANOCDAD-MRXNPFEDSA-N 463.007 6.321 50 10 JKGE CC[C@H](C)c1ccc([C@@H](Br)c2cccc(Br)c2Br)cc1 2148751999 RUSIGOJMSIQVLS-MEDUHNTESA-N 461.035 7.209 50 10 JKGE O=C(NC[C@@H]1CCCC[C@@H]1CBr)c1cccc(Br)c1Br 2148770266 NUCSEFQORGAGOD-MNOVXSKESA-N 468.027 5.143 50 10 JKGE CCn1ncc(Br)c1[C@@H](Br)c1csc2c(Br)cccc12 2150669603 YTFZSPLOPUDPDC-LBPRGKRZSA-N 479.035 6.127 50 10 JKGE CC(C)(C)[C@@H]1C[C@H](CBr)CN(C(=O)c2cscc2OCc2ccccc2)C1 2165003424 VZWMUTZNCIQDMN-QZTJIDSGSA-N 450.442 5.846 50 10 JKGE ClCc1nc2cc(Cl)c(Br)cc2n1[C@@H]1CCOC[C@@H]1OCc1ccccc1 2169012067 SSYGNISPCNCDGQ-MJGOQNOKSA-N 470.194 5.738 50 10 JKGE ClCCc1nc2cc(Cl)c(Br)cc2n1Cc1nccn1Cc1ccccc1 2169015732 QTMWFXTVFONSJR-UHFFFAOYSA-N 464.194 5.527 50 10 JKGE COc1ccc(Oc2cc(Br)cc(F)c2CBr)c(Br)c1 2170691827 MMIJHFYDTWOPLK-UHFFFAOYSA-N 468.942 6.047 50 10 JKGE C[C@]1(C2CC2)CN(c2cc(Br)cc(F)c2CBr)CCN1Cc1ccccc1 2170691846 MUKMPSBVJKTFTH-JOCHJYFZSA-N 496.262 5.974 50 10 JKGE CO[C@@H]1CCC[C@@H]([C@@H](Br)c2c(C)c(Br)cc(C)c2Br)C1 2201080325 YAGFOXLLRVGISI-XHBSWPGZSA-N 469.055 6.470 50 10 JKGE Cc1c(Br)ccc([C@H](Br)[C@]2(C)CCCCC2(F)F)c1Br 2203707235 UYHWTMNKHZSANZ-KBPBESRZSA-N 475.009 7.172 50 10 JKGE Cc1csc([C@@H](Br)c2c(Br)sc(Br)c2Cl)c1C 2213657614 XIXUVVOIXJYSEL-ZETCQYMHSA-N 479.484 7.089 50 10 JKGE Cc1cc(Br)c([C@H](Br)c2ccoc2Br)c(C)c1Cl 2217613375 OFQZZYCCYNYEBQ-LLVKDONJSA-N 457.387 6.559 50 10 JKGE Fc1cc(Br)c(Br)cc1[C@H](Cl)c1ccc(Br)cc1 2218597476 MIAJXRWBWOKQKP-CYBMUJFWSA-N 457.362 6.441 50 10 JKGE BrCC(CBr)(Cc1nscc1Br)C1CCCCC1 2219913061 LKCVBEBKLAYJED-UHFFFAOYSA-N 460.073 5.805 50 10 JKGE Brc1csnc1[C@@H](Br)c1ccc2c(c1Br)CCO2 2222196752 WYAXEYXWRHRKPQ-NSHDSACASA-N 453.981 5.087 50 10 JKGE Fc1cc(Br)c(Br)cc1[C@H](Br)C[C@@H]1C[C@@H]1C(F)(F)F 2225616422 FWSYQLCZLOQLTK-APQOSEDMSA-N 468.908 6.375 50 10 JKGE Cc1sc([C@H](Br)c2ccc(Br)c(C)c2Br)c(C)c1C 2228579271 IYOOTRQYOCBABH-CQSZACIVSA-N 467.064 6.991 50 10 JKGE Cc1c(Cl)cccc1[C@H](Br)c1c(Br)cc(Cl)c(Cl)c1Cl 2232513776 RRYJLYSQKZVNOK-LBPRGKRZSA-N 477.838 7.855 50 10 JKGE Cc1cc(Br)c([C@H](Br)c2ccc(Br)cc2F)c(C)c1Cl 2232527666 DYKCKSIPFBDEIT-CQSZACIVSA-N 485.416 7.105 50 10 JKGE Cc1sc([C@@H](Cl)c2csc3c(Br)cccc23)c(C)c1Br 2234471341 RGVRRHBXUVTLMD-ZDUSSCGKSA-N 450.648 7.433 50 10 JKGE O=C(c1scc(Br)c1Cl)N(Cc1ccccc1)C1(CBr)CCC1 2242666353 MIOMKUBLEYDALX-UHFFFAOYSA-N 477.649 6.124 50 10 JKGE Fc1cc([C@@H](Cl)c2cc(Br)c(Br)s2)c(Cl)cc1Br 2255969578 KOLRJXSHVYORGF-SNVBAGLBSA-N 497.836 7.156 50 10 JKGE Fc1cccc(C[C@@H](Br)c2ccc(Cl)c(I)c2)c1F 2268315095 HSADVTFDLSSSEW-SNVBAGLBSA-N 457.483 5.902 50 10 JKGE COc1ccc([C@H](Br)c2ccc(C)c(Br)c2)cc1I 2269554116 DLAUFDWCSUBKOL-OAHLLOKOSA-N 495.980 5.855 50 10 JKGE Clc1ccc(Br)cc1CO[C@@H]1CCCCCC[C@H]1I 2277807051 PZVVXUQSHGCTPS-HUUCEWRRSA-N 457.577 6.146 50 10 JKGE COc1c([C@@H](Br)c2c(Br)cc(F)c(F)c2F)csc1Cl 2284304149 IZYLHJBSDMAWGU-MRVPVSSYSA-N 450.501 6.074 50 10 JKGE O=C(CSc1nnc(SCc2cccc3ccccc23)s1)NN=CC=Cc1ccco1 2293716053 OXDZZYGZTKSWKG-UHFFFAOYSA-N 466.613 5.484 50 10 JKGE FC1(F)C[C@@H]([C@@H](Br)Cc2cc(Br)cc(Br)c2)C12CCC2 2295331788 OAHPZRAFWSFOAU-STQMWFEESA-N 472.993 6.343 50 10 JKGE C[C@H](C[C@@H](Br)Cc1cc(Br)cc(Br)c1)c1ccccc1 2295333540 LDZUBHOTEUCQOB-IUODEOHRSA-N 461.035 6.711 50 10 JKGE CC(C=NNC(=O)CSc1nc2ccccc2n1Cc1ccccc1Cl)=Cc1ccco1 2297456675 FTGMWYLDROKNCQ-UHFFFAOYSA-N 464.978 5.629 50 10 JKGE O=C(NN=Cc1c[nH]c2ccccc12)c1scc2c1NC(=O)C2(c1ccccc1)c1ccccc1 2297677904 XLRKAPLNFLYHOY-UHFFFAOYSA-N 476.561 5.280 50 10 JKGE FC(F)C1CC([C@H](Br)c2cc(Br)ccc2OCc2ccccc2)C1 2299527629 KCDLIWHBJZMDBJ-JRSKDTKFSA-N 460.156 6.755 50 10 JKGE CCC(C)(C)[C@@H](Br)c1c(Cl)cc(Br)c(F)c1Br 2300178581 KABPUDJOMADMPM-NSHDSACASA-N 451.399 6.876 50 10 JKGE Fc1ccc(Cl)c([C@H](Br)c2sc(Cl)cc2I)c1 2301083896 MTQGWMZNPJMTHK-JTQLQIEISA-N 465.940 6.283 50 10 JKGE Cc1cc([C@H](Cl)c2c(Br)c(Br)nn2C)sc1Br 2301119333 PRZGZNSFUYLJKX-ZETCQYMHSA-N 463.420 5.406 50 10 JKGE Brc1cc(C[C@@H]2CCSCC[C@@H]2Br)ccc1I 2306200402 XIGQUYTXOGUBTH-QWRGUYRKSA-N 490.042 5.503 50 10 JKGE CCOc1cc(C=C(C#N)C(=O)Nc2cccc(C)c2)ccc1OCc1cccc2ccccc12 2313511243 VWUOQKZVZQSWSB-UHFFFAOYSA-N 462.549 6.672 50 10 JKGE N#CC(=Cc1cccc(OCc2cccc(Cl)c2)c1)C(=O)Nc1cccc(C(F)(F)F)c1 2313681240 XIAVTOXLEWHLSP-UHFFFAOYSA-N 456.851 6.483 50 10 JKGE CCc1ccc(N2C(=O)[C@@H](Cc3cccc(C)c3)SC2=C(C#N)C(=O)Nc2ccc(C)cc2)cc1 2314592224 OGCKRTKKSUFPJK-AREMUKBSSA-N 481.621 5.931 50 10 JKGE Cn1cnc(Br)c1[C@H](Br)c1cc(Br)c(Cl)cc1F 2315593004 DLSVUSIPVMSCBL-SECBINFHSA-N 461.354 5.222 50 10 JKGE CCN(C[C@](C)(CI)OCC[C@@H]1CC[C@H]1C1CC1)C(=O)OC(C)(C)C 2319607615 AIUBTKAWIZVNBS-ZWOKBUDYSA-N 465.416 5.280 50 10 JKGE COC1(C(F)F)CC([C@@H](Br)c2sc(Br)cc2Br)C1 2320065957 WOZJHSBFBPKIKG-GBZMYTLWSA-N 468.983 5.769 50 10 JKGE CC(C)c1cccc([C@H](Br)c2sc(Cl)cc2I)c1 2320568024 VOUAWOLGLRYBTR-ZDUSSCGKSA-N 455.586 6.614 50 10 JKGE COc1ccccc1-c1csc(C(C#N)=C(O)[C@H](C)Oc2ccc(Cl)cc2Br)n1 2331282114 FIXFNRPYZXSXCW-LBPRGKRZSA-N 491.794 6.495 50 10 JKGE CC(C)C[C@@H](C(O)=C(C#N)c1nc(-c2ccc3c(c2)OCO3)cs1)N1C(=O)c2ccccc2C1=O 2331333783 AAEAXBKTAZGBIH-FQEVSTJZSA-N 487.537 5.042 50 10 JKGE COc1ccc(-c2csc(C(C#N)=C(O)CCc3nc4ccccc4[nH]c3=O)n2)c(C)c1C 2331362637 BNXGVZJTNGXESK-UHFFFAOYSA-N 458.543 5.098 50 10 JKGE CCOc1ccc(OCC)c(-c2csc(C(C#N)=C(O)Cc3ccc(OC(C)C)cc3)n2)c1 2331376337 XYWXSYIZEHCFDF-UHFFFAOYSA-N 464.587 6.430 50 10 JKGE COc1cccc(-c2csc(C(C#N)=Cc3ccc(OCc4ccc(Cl)cc4)c(OC)c3)n2)c1 2331421373 KWOAHURQGMPDKZ-UHFFFAOYSA-N 488.996 7.124 50 10 JKGE COc1cc(C=C(C#N)c2nc(-c3ccccc3OC)cs2)ccc1OCCCc1ccccc1 2331434589 ARZBRDXHNFSFIS-UHFFFAOYSA-N 482.605 6.903 50 10 JKGE COc1ccc(C(C)(C)C)cc1-c1csc(C(C#N)=Cc2cc(Br)ccc2O)n1 2331461084 IHOKRDTUNGQSBW-UHFFFAOYSA-N 469.404 6.648 50 10 JKGE Cc1ccccc1COc1ccc(C=C(C#N)c2nc(-c3cc(C(C)(C)C)ccc3C)cs2)cc1 2331478997 NEMMCXMBBGDHSB-UHFFFAOYSA-N 478.661 8.368 50 10 JKGE Cc1cc(Br)c([C@@H](Br)[C@@H]2C[C@H]2C(C)(F)F)c(C)c1Br 2333708874 QWDIKGHETPEHSJ-KKFJDGPESA-N 460.982 6.556 50 10 JKGE Cc1cc(Br)c(F)c([C@@H](Cl)c2ccc(OCc3ccccc3)cc2Br)c1 2336054605 SZHGBHYZTASAQC-FQEVSTJZSA-N 498.617 7.566 50 10 JKGE CC(C)(C)OC1CC([C@H](Br)c2ccc(OCc3ccccc3)cc2Br)C1 2336056895 MTNZDJOUAKQDMH-IAYYMHMVSA-N 482.256 7.058 50 10 JKGE CC(C)(F)[C@](C)(F)[C@H](Br)c1c(Cl)cc(Br)c(F)c1Br 2337098693 RPDALURHDYTWTR-ZYHUDNBSSA-N 487.379 6.916 50 10 JKGE Fc1c(Br)cc(Cl)c([C@H](Cl)c2scc(Cl)c2Cl)c1Br 2337100146 ZRVQVOHOBXOSOL-VIFPVBQESA-N 487.830 7.701 50 10 JKGE FC1(F)CC2(C1)C[C@@]2(CBr)Cc1ccc(Cl)c(I)c1 2337226855 DOVVOYGVTJLDLZ-GFCCVEGCSA-N 461.515 5.688 50 10 JKGE Clc1cc(I)c([C@@H](Br)c2cc3c(s2)CCCCC3)s1 2338559338 WISQMYGPMBTGOR-ZDUSSCGKSA-N 487.653 6.821 50 10 JKGE CC1([C@H](Br)c2sc(Cl)cc2I)CC2(CC(F)(F)C2)C1 2338561768 CZBGFOXUBKZQDC-SNVBAGLBSA-N 481.571 6.658 50 10 JKGE CC(C)[C@H](Br)C(C)(C)NC(=O)c1cc(Br)ccc1Br 2340408215 YDEWOBPJNUYTJT-LBPRGKRZSA-N 456.016 5.140 50 10 JKGE ClC[C@@H](Cc1cc(I)ccc1Cl)c1ccccc1Br 2352429131 DEJQCSYRIQBYAR-LLVKDONJSA-N 469.975 6.272 50 10 JKGE Cc1cc(Br)c([C@@H](Br)C[C@@H]2CCC[C@@H]3C[C@H]23)c(C)c1Br 2358674470 YTRXINZENVTWBR-OSFYFWSMSA-N 465.067 7.091 50 10 JKGE Cc1ccc([C@H](Br)c2c(Cl)cc(Br)c(F)c2Br)cc1C 2362259288 YSTAFPCVIYGJDO-ZDUSSCGKSA-N 485.416 7.105 50 10 JKGE CN(c1cc(Cl)c(F)cc1CBr)[C@@H]1C[C@@H]2C[C@H](OCc3ccccc3)C[C@@H]21 2362388144 JEKFUXBHFTZOGX-ABXWHYIOSA-N 452.795 6.194 50 10 JKGE COc1c(C)cc([C@@H](Cl)c2ccc(OCc3ccccc3)cc2Br)cc1Cl 2362873045 OMDQVBSCASYLIJ-OAQYLSRUSA-N 466.202 7.327 50 10 JKGE CSc1ccc([C@@H](Br)c2c(C)cc(Br)c(F)c2Br)cc1 2365216064 QLYZBKOAKVJVPJ-CYBMUJFWSA-N 483.038 6.865 50 10 JKGE COCc1cc(Br)c([C@H](Br)c2c(Cl)cc(F)cc2Cl)s1 2366409402 UXVTZYWVOVDPJQ-GFCCVEGCSA-N 462.993 6.587 50 10 JKGE Cc1cc(Cl)c([C@H](Cl)c2ccc(Br)c(C)c2Br)c(Cl)c1 2381320416 VUZYBCOZVGGKSN-OAHLLOKOSA-N 457.420 7.463 50 10 JKGE C=CCc1cccc(C=NNC(=O)CSc2nc3ccccc3n2Cc2ccc(Cl)cc2)c1O 8431313 VWQMDVDVKJBBJL-UHFFFAOYSA-N 491.016 5.415 50 10 JKGE CSc1cccc(N/C(SCc2cccc(F)c2)=C(/C#N)S(=O)(=O)c2ccccc2)c1 20325527 KXMOZGFPBDJQLO-GHVJWSGMSA-N 470.616 6.059 50 10 JKGE CCOc1ccc(-c2nn(-c3ccccc3)cc2/C=C(/C#N)C(=O)NC2CCCCC2)cc1Cl 35447274 WMZRDXYXTHLMSO-HKWRFOASSA-N 474.992 5.947 50 10 JKGE Nc1c(NNC(=O)c2cccc3ccccc23)ncnc1NC(c1ccccc1)c1ccccc1 40783667 GNPBOSIUQTYLCX-UHFFFAOYSA-N 460.541 5.170 50 10 JKGE CCOc1ccc([C@H](O)CCC(=O)N/N=C\c2c(C)n(Cc3ccccc3)c3ccccc23)cc1 58893630 DZOSKJAMWASVPA-FLFHKRBWSA-N 469.585 5.361 50 10 JKGE C=CCc1cc(/C=N\NC(=O)CC[C@H](O)c2ccc(OCC)cc2)ccc1OCc1ccccc1 58895064 RSEORYVCMAIUQZ-AGHBZJCRSA-N 472.585 5.357 50 10 JKGE COc1cc(/C=C(/C#N)C(=O)Nc2sc3c(c2C#N)CCCC3)ccc1OCc1cccc(F)c1 59116622 SOBDNVVBLPDEGK-ODLFYWEKSA-N 487.556 5.771 50 10 JKGE CC(C)Cc1ccc([C@@H](C)C(=O)N/N=C2\C(=O)N(Cc3ccccc3F)c3ccccc32)cc1 59146835 ZFWJPONMGDAXHO-RTFUVNSJSA-N 457.549 5.195 50 10 JKGE CC1(C)[C@@]2(C(Br)Br)CC[C@@]1(C(=O)Oc1ccccc1)[C@@H]2Br 100935444 MDHPWRXGDWMKAX-RLCCDNCMSA-N 481.022 5.278 50 10 JKGE Cc1ccc(-c2csc(/C(C#N)=C(\O)c3ccc(-c4ccc([N+](=O)[O-])cc4Cl)o3)n2)cc1 100989584 SALWBHZDEHAAOG-XLNRJJMWSA-N 463.902 6.890 50 10 JKGE CCOc1cc(/C=C(/C#N)C(=O)NCc2ccco2)ccc1OC(=O)c1ccc(C(C)(C)C)cc1 206674914 AYZPZDXGGLDHPZ-QNGOZBTKSA-N 472.541 5.418 50 10 JKGE CCOc1cc(/C=C2\C(=O)N(Cc3ccc(C)cc3)C(=O)C(C#N)=C2C)ccc1OCC(C)C 214381768 GBJUIKDOVOZVAM-QRVIBDJDSA-N 458.558 5.221 50 10 JKGE CCOc1ccc([C@H](Br)c2cc(F)ccc2Br)cc1Br 228992792 SWSABLDLXNOEFS-HNNXBMFYSA-N 466.970 6.234 50 10 JKGE O=C(Nc1cccc(CBr)c1)c1cc(Br)ccc1I 232451816 VPJRMPOUKUHECA-UHFFFAOYSA-N 494.952 5.201 50 10 JKGE COCCOc1ccc([C@@H](Br)c2ccoc2Br)cc1Br 234655845 SCGUBOWNKDSAMB-CYBMUJFWSA-N 468.967 5.314 50 10 JKGE O=C(NN=Cc1cn(Cc2cccc(C(F)(F)F)c2)c2ccccc12)c1ccc(Cl)cc1O 254451763 LVQZSGSXXLTPAH-UHFFFAOYSA-N 471.866 5.831 50 10 JKGE CCOC(=O)c1c(-n2c(C)cc(C=NNC(=O)Nc3ccc(C)cc3)c2C)sc2c1CCCC2 254572066 CENMTDSDQBCOOS-UHFFFAOYSA-N 478.618 5.675 50 10 JKGE O=C(Nc1ccc(C(=O)NN=Cc2cccc([N+](=O)[O-])c2)cc1)Nc1cccc(C(F)(F)F)c1 254623080 QRSYAIFITPHDNI-UHFFFAOYSA-N 471.395 5.022 50 10 JKGE Brc1ccc([C@@H](Br)c2cc3c(cc2Br)OCC3)s1 308419410 UFNLSRKDPSNTJG-ZDUSSCGKSA-N 452.993 5.692 50 10 JKGE CCOc1ccc([C@H](Br)c2sccc2I)cc1OCC 312402414 PJYDDAWWLQSFCK-AWEZNQCLSA-N 467.166 5.634 50 10 JKGE Brc1ccc([C@H](Br)c2cccc(OCc3ccccc3)c2)c2ccccc12 312953600 SBZQTNULWVIRMQ-XMMPIXPASA-N 482.215 7.666 50 10 JKGE Fc1cc(Br)ccc1[C@H](Cl)c1scc(C(F)(F)F)c1Br 380056789 AATDMQMRHPHMIX-JTQLQIEISA-N 452.492 6.759 50 10 JKGE C[C@@H](Cl)c1nc2cc(I)ccc2n1[C@H](C)CN(C)Cc1ccccc1 381211615 VAZRWNVDMKLTMA-HUUCEWRRSA-N 467.782 5.634 50 10 JKGE C[C@H]([C@@H]1CCN(Cc2ccccc2)C1)n1c(CCl)nc2cc(I)c(F)cc21 383367080 HGPHYQGWTIUVLS-GDBMZVCRSA-N 497.783 5.602 50 10 JKGE CN(Cc1cc(Br)cs1)c1cccc(Br)c1CBr 394712273 QTCNDJLZEGFAFN-UHFFFAOYSA-N 454.025 5.804 50 10 JKGE CC1(C)C[C@@H](Br)C[C@H](NC(=O)c2ccc(Br)cc2Br)C1 693892261 KBOXQDMBOQBVQM-QWRGUYRKSA-N 468.027 5.284 50 10 JKGE CCCOc1c(I)cc(/C=C(/C#N)C(=O)Nc2ccccc2Cl)cc1OC 725399458 ZZTJSGROSNYJIB-ZROIWOOFSA-N 496.732 5.288 50 10 JKGE O=C(NN=Cc1cc(-c2ccccc2)n(-c2ccc(Cl)cc2)c1-c1ccccc1)c1ccccc1 1083898236 HMCYCENMVJETGG-UHFFFAOYSA-N 475.979 7.229 50 10 JKGE COC(=O)c1ccc(-n2c(C)cc(C=NNC(=O)c3cc4cc(Br)ccc4o3)c2C)cc1 1083984791 SZONZTTZHNFWQS-UHFFFAOYSA-N 494.345 5.153 50 10 JKGE CCC(=NNC(=O)COc1ccc2cc(Br)ccc2c1Br)c1ccccc1 1084229134 TXYCTNPIRJJKKQ-UHFFFAOYSA-N 490.195 5.674 50 10 JKGE Cc1ccc(-n2c(C)cc(C=NNC(=O)C(=O)Nc3ccc(OCc4ccccc4)cc3)c2C)cc1C 1084270829 LIPPKWJTKRJLMX-UHFFFAOYSA-N 494.595 5.379 50 10 JKGE CCOc1cc(/C=C(/C#N)C(=O)NCc2cccs2)ccc1OCc1ccc(Cl)cc1 1084475148 VQMNTDBXVSZRLR-UNOMPAQXSA-N 452.963 5.603 50 10 JKGE Cc1ccc(C(C)C)c(OC(=O)c2oc3c(c2C)C(=NNC(=O)c2ccc(O)cc2)CCC3)c1 1772745216 UCGBYVGFGVPZGR-UHFFFAOYSA-N 460.530 5.415 50 10 JKGE COc1ccc(C(=O)NN=C2CCCc3oc(C(=O)N4c5ccc(F)cc5CC[C@H]4C)c(C)c32)cc1 1772746629 XOCUGXGBPSCGRR-MRXNPFEDSA-N 489.547 5.188 50 10 JKGE Cc1ccc(COc2ccc(C=NNC(=O)[C@H](C)Oc3cc(C)c(Cl)c(C)c3)cc2)cc1 1772755632 BCXLRKISNQVTIZ-FQEVSTJZSA-N 450.966 5.762 50 10 JKGE CC(C)(C)c1ccc(C=NNC(=O)CCCOc2ccc(C(C)(C)C)cc2Br)cc1 1772755781 RZIATNAZEZKHCP-UHFFFAOYSA-N 473.455 6.353 50 10 JKGE Cc1c(Cl)cccc1NC(=O)COc1cccnc1NC(=O)Nc1ccc(SC#N)cc1 1858828622 WBCAMGRNZKEETQ-UHFFFAOYSA-N 467.938 5.278 50 10 JKGE Cc1nn(Cc2cccc(F)c2)c2c1[C@@H](c1ccc(OCc3ccccc3)cc1)C(C#N)=C(N)O2 1865690517 TXIIKOYAXDYCME-SANMLTNESA-N 466.516 5.176 50 10 JKGE CCOc1ccc([C@@H]2C(C#N)=C(N)Oc3c2c(-c2ccccc2)nn3-c2ccccc2Cl)cc1 1865694574 XJDROCLVVMHGAI-HSZRJFAPSA-N 468.944 5.810 50 10 JKGE N#CC1=C(N)Oc2c(c(-c3ccccc3)nn2-c2ccc(Cl)c(Cl)c2)[C@H]1c1c[nH]c2ccccc12 1865700282 OUCTYOONUNFRIL-HSZRJFAPSA-N 498.373 6.546 50 10 JKGE COc1ccc(-c2ccc(C(=O)N/N=C(/C)c3ccc(-c4ccccc4)cc3)c(C)n2)cc1OC 1865763359 ITLYXGDVWAMNKO-DXJNIWACSA-N 465.553 5.895 50 10 JKGE C/C(=C\c1ccccc1)C(=O)N[C@H](CSCc1ccccc1)C(=O)Nc1ccc(SC#N)cc1 1866812906 YXMPVNQQMUKWHG-RALKEJGDSA-N 487.650 5.720 50 10 JKGE CN(CCc1cnc[nH]1)c1cc(Nc2ccc(SC#N)cc2)nc(-c2ccc(C(C)(C)C)cc2)n1 1868544416 DQOYEGWHRANRMT-UHFFFAOYSA-N 483.645 6.160 50 10 JKGE COc1ccc(-c2csc(/C(C#N)=C(\O)CNC(=O)c3ccc(Cl)cc3Cl)n2)cc1F 1872752876 XJHHWAVRIXXCLX-JXAWBTAJSA-N 478.332 5.487 50 10 JKGE CCCCCCCOc1ccc(-c2csc(/C(C#N)=C(\O)COc3ccc(C)cc3C)n2)cc1 1872753067 GIVNDRRCAPEJJR-LCUIJRPUSA-N 476.642 7.648 50 10 JKGE COc1ccc(-c2csc(/C(C#N)=C(\O)c3c(Cl)ccc(Cl)c3OC)n2)c(OC)c1 1872755514 RBTFQAPJZOCXFY-UYRXBGFRSA-N 463.342 6.093 50 10 JKGE COc1cc(C)c(-c2csc(/C(C#N)=C(\O)c3ccc4c(c3)C(=O)N(C(C)(C)C)C4=O)n2)cc1C 1872758426 ZKBWAWCMJGZRTE-ATJXCDBQSA-N 487.581 5.780 50 10 JKGE CCc1cccc(C)c1N1C[C@H](/C(O)=C(\C#N)c2nc(-c3cc(Cl)ccc3OC)cs2)CC1=O 1872758565 GTPJKQLXZYPPKH-BOLJVCIBSA-N 494.016 6.189 50 10 JKGE C[C@@H]1[C@H](n2c(CCCl)nc3c(Br)cc(F)cc32)CCN1Cc1ccccc1 1912687328 KVZUFALNNGPGHA-RDTXWAMCSA-N 450.783 5.555 50 10 JKGE Cc1cccc(C(=O)N(Cc2ccccc2)[C@@H](CBr)C2CC2)c1Br 1915276991 WZPTUBVOEOGKLP-SFHVURJKSA-N 451.202 5.573 50 10 JKGE Cc1cc([C@H](Br)c2cc(I)cc3c2OCC3)oc1Br 1917604697 BMYHNMKZNGHUQB-GFCCVEGCSA-N 497.952 5.374 50 10 JKGE Clc1c(Br)sc(Br)c1[C@H](Br)[C@@H]1CC2CCC1CC2 1923038959 LZZVSDFJIXWWAE-CJXRSZHYSA-N 477.487 7.189 50 10 JKGE COc1ccc(CC[C@H](Br)c2c(Cl)sc(Br)c2Cl)cc1 1925601709 XMQFURZEZNYDNX-JTQLQIEISA-N 459.030 6.895 50 10 JKGE Fc1cc(Cl)c(Br)cc1[C@@H](Cl)c1sccc1I 1948498305 JUIBGUYCLQTXAR-SNVBAGLBSA-N 465.940 6.236 50 10 JKGE Brc1sc(Br)c([C@H](Br)[C@@H]2CC[C@@H]3C[C@H]32)c1Br 1975781851 KVZDQIRSYMROHX-UAKXSSHOSA-N 493.884 6.518 50 10 JKGE COc1sc([C@@H](Br)c2c(F)cccc2Br)cc1Br 2034628983 JPJIXWKUWDKQPT-LLVKDONJSA-N 458.972 5.905 50 10 JKGE Cc1c(Br)sc([C@@H](Br)C(F)(F)[C@H]2CCOC2)c1Br 2065535805 KBXKHFZDZPKETI-IMTBSYHQSA-N 468.983 5.689 50 10 JKGE BrC[C@H]1CC12CCN(Cc1cccc(Br)c1Br)CC2 2092488750 FWTLYUPHCAIRCN-GFCCVEGCSA-N 452.028 5.209 50 10 JKGE C[C@@H](Cl)c1nc2cc(Br)c(Cl)cc2n1[C@@H]1CCN(Cc2ccccc2)C1 2103809400 GJLDVZZCJGSVCD-UKRRQHHQSA-N 453.211 6.199 50 10 JKGE BrCc1cc(Br)ccc1N1CCC[C@]2(CCN(Cc3ccccc3)C2)C1 2107014114 CRNGYGNZIXORHG-JOCHJYFZSA-N 478.272 5.837 50 10 JKGE COc1ccc([C@@H](Br)c2cc(I)ccc2F)c(Br)c1 2113357806 KAAKUOWJWCYOIJ-CQSZACIVSA-N 499.943 5.686 50 10 JKGE Fc1c(Br)ccc(C[C@H](Br)c2ccc(Br)cc2)c1F 2113494856 HGMTVHBTYIAXQH-LBPRGKRZSA-N 454.934 6.169 50 10 JKGE CC1(C)CCCC[C@]1(CBr)Cc1ccc(Br)cc1Br 2117013722 LIDVSQSDKIEUKK-MRXNPFEDSA-N 453.056 6.736 50 10 JKGE Cc1c(Br)ccc([C@@H](Br)C2(C)C(C)(C)C2(C)C)c1Br 2138867093 WOCZSBYWMDHCGU-CYBMUJFWSA-N 453.056 7.028 50 10 JKGE CC(C)(CO[C@](C)(CI)c1ccccc1Br)C(F)(F)F 2150636416 ZGPDZEDYULGETL-CYBMUJFWSA-N 465.091 5.704 50 10 JKGE ClCc1nc2cc(Br)c(Cl)cc2n1C[C@@H]1CCCN(Cc2ccccc2)C1 2159872411 UZEDDHQWFMLMPY-MRXNPFEDSA-N 467.238 6.103 50 10 JKGE CC(C)(C)OC(=O)NC[C@@H]1C[C@@H](C(F)(F)F)CCN1CC1(CBr)CCCC1 2163837152 PWNRSJGOTNFMMZ-GJZGRUSLSA-N 457.375 5.109 50 10 JKGE CN(C[C@H](Br)C1CCCC1)C(=O)c1cc(Br)cc(Br)c1 2167646728 MVDAUTGRYFWOEO-AWEZNQCLSA-N 468.027 5.237 50 10 JKGE CC1(C)COc2c([C@@H](Br)c3cc(Br)sn3)cc(Br)cc21 2176539717 RRESBQCEUKMXEN-GFCCVEGCSA-N 482.035 5.822 50 10 JKGE C[C@@H]1C[C@H](C(F)(F)F)N(C[C@@H](CBr)C(C)(C)C)CCN1C(=O)OC(C)(C)C 2178265117 WPWZNHIJSRGMSF-RBSFLKMASA-N 459.391 5.306 50 10 JKGE CCOc1ccc(Br)cc1[C@@H](Br)c1c(Br)c(C)nn1C 2192375313 PQFZXEYSSGEISH-CYBMUJFWSA-N 466.999 5.137 50 10 JKGE Cc1ncnc(COc2c(Br)cc(CBr)cc2Br)c1C 2206516665 VPWBJYSGHNBDQL-UHFFFAOYSA-N 464.983 5.092 50 10 JKGE Clc1cc(Br)c([C@@H](Cl)c2csnc2Br)c(Cl)c1Cl 2217606235 NLGWZPPNCNMGFT-ZETCQYMHSA-N 470.828 6.957 50 10 JKGE Cc1ccc([C@@H](Br)c2scc(Br)c2C)c(C)c1Br 2219006778 VOPWLEAYQLAOEG-CYBMUJFWSA-N 453.037 6.683 50 10 JKGE Cc1cc(Br)c([C@H](Br)[C@H](F)C(F)(F)F)c(C)c1Br 2220143676 FGKQYWRYZGIFKB-UWVGGRQHSA-N 456.897 6.165 50 10 JKGE C[C@@H]1OCCO[C@@H]1[C@@H](Br)c1c(Br)cc(Cl)c(Cl)c1Cl 2224316088 AINJMOCZVJFIEF-OAAKCYPXSA-N 453.385 5.649 50 10 JKGE Cc1cc(Br)c([C@@H](Cl)c2cc(Br)c(C)s2)c(C)c1Br 2227361785 HAZOBQDXUYSVLU-AWEZNQCLSA-N 487.482 7.289 50 10 JKGE Fc1cc(F)c([C@@H](Br)c2scc(Cl)c2Cl)c(F)c1Br 2227810478 WBFJHUVNPOGTCS-MRVPVSSYSA-N 454.920 6.719 50 10 JKGE CC1(C)[C@@H](OCc2ccccc2)C[C@H]1n1c(CCl)nc2c(F)cc(Br)cc21 2232917255 ZJGCSENPGUXFSB-MSOLQXFVSA-N 451.767 6.233 50 10 JKGE Cc1ccc(Br)cc1[C@@H](Br)c1c(F)cc(F)c(Br)c1F 2236109985 LDZWZTRXZXPTDP-GFCCVEGCSA-N 472.924 6.422 50 10 JKGE Cc1sc([C@H](Br)c2ccc(Br)cc2Cl)c(Br)c1C 2253473275 NTUKZFFATOMMAO-GFCCVEGCSA-N 473.455 7.028 50 10 JKGE CCc1cc([C@H](Cl)c2c(Br)cccc2Br)sc1Br 2255974661 VRMCBVHNIYATDU-LBPRGKRZSA-N 473.455 6.926 50 10 JKGE CC(C)(C(F)F)[C@@H](Br)c1c(F)cc(Br)c(F)c1Br 2260070973 NGBHBFIHOWMVQL-VIFPVBQESA-N 456.897 6.217 50 10 JKGE Brc1cc(Br)c([C@@H](Br)c2ccc3scnc3c2)s1 2264032294 SBCPQYLELZCCPP-NSHDSACASA-N 468.033 6.367 50 10 JKGE COc1ccc([C@@H](Br)c2nc(C)sc2Br)c(Br)c1Cl 2268254711 DHLFYRPMUMGLKL-SECBINFHSA-N 490.442 6.123 50 10 JKGE COc1ccc([C@H](Br)c2cc3cscc3s2)cc1I 2269553540 CQCYALDPPGEOFU-AWEZNQCLSA-N 465.175 6.060 50 10 JKGE Fc1cc(Br)c(F)c(Br)c1[C@@H](Br)[C@H]1C[C@H]2CC[C@H]1C2 2272725859 GQFDDRAZVVEDKA-QZOVBDONSA-N 458.966 6.362 50 10 JKGE Cc1cc(C)c(C)c([C@H](Br)c2ccc(Cl)c(I)c2)c1C 2283573136 HNCWFUUTYHUDQQ-QGZVFWFLSA-N 463.584 6.663 50 10 JKGE Cc1cc(F)c(Br)cc1[C@H](Br)Cc1ccc(Br)cc1Cl 2285957062 CWSRZKHDYJWPNH-GFCCVEGCSA-N 485.416 6.991 50 10 JKGE C[C@H]1OC2(C)CC1([C@@H](Br)c1c(F)cc(Br)c(F)c1Br)C2 2288344826 OEEWHDOPBKLWOS-BBHOERDKSA-N 474.965 5.883 50 10 JKGE Fc1cc(Br)c(F)c(Br)c1[C@H](Br)[C@@H]1C[C@H]2O[C@H]1[C@H]1C[C@@H]12 2288496678 KEOMVYGQYHFJBS-SIFFTZHVSA-N 472.949 5.349 50 10 JKGE CC(C)(C)CCN(CCBr)C(=O)c1c(Br)cccc1Br 2289877452 WKYBWFCUBWCGKI-UHFFFAOYSA-N 470.043 5.485 50 10 JKGE COc1c(Br)cc(Cl)cc1[C@@H](Cl)c1nn(C)c(Cl)c1Br 2295270366 UKVFURKEKJSECM-SECBINFHSA-N 463.384 5.589 50 10 JKGE CC(C)CCOc1ccc(-c2nn(-c3ccccc3)cc2C=C(C#N)C(=O)NCc2ccco2)cc1 2296539110 CBTWRBAKURZBLG-UHFFFAOYSA-N 480.568 5.781 50 10 JKGE CCCCSc1ccc(-c2nn(-c3ccccc3)cc2C=C(C#N)C(=O)NCc2ccco2)cc1 2296731167 ABLCMVJOXAFKBD-UHFFFAOYSA-N 482.609 6.248 50 10 JKGE Cc1cccc2cc(C=C(C#N)c3nc(-c4cc5ccccc5oc4=O)cs3)c(Cl)nc12 2297315677 CEVDINOUZBGCRB-UHFFFAOYSA-N 455.926 6.491 50 10 JKGE O=C(NN=Cc1ccc(N2N=C(c3ccccc3)C[C@H]2c2cccc([N+](=O)[O-])c2)cc1)c1cccnc1 2297709012 UARJACGJMOYWMR-MHZLTWQESA-N 490.523 5.109 50 10 JKGE CC1([C@@H](Br)c2cc(Br)ccc2OCc2ccccc2)CCCCC1 2299491748 GLKYKNXYXKGUQQ-FQEVSTJZSA-N 452.230 7.435 50 10 JKGE Cl[C@@H](c1ccc(OCc2ccccc2)cc1Br)c1ccccc1OCc1ccccc1 2299504869 QVZHRFYLUIMJEM-MHZLTWQESA-N 493.828 7.935 50 10 JKGE COc1cc(C=C(C#N)C(=O)Nc2ccc(C)cc2)cc(Cl)c1OCc1cccc([N+](=O)[O-])c1 2313568552 UOBLNPTYSRHBML-UHFFFAOYSA-N 477.904 5.690 50 10 JKGE Cc1ccc(Cl)cc1NC(=O)C(C#N)=Cc1cc(Br)ccc1OCc1ccccc1F 2313738596 ISMMGMDDFRAFTO-UHFFFAOYSA-N 499.767 6.675 50 10 JKGE Fc1ccc(C[C@H](Br)c2ccc(OCc3ccccc3)cc2Br)cc1 2314447720 BFRMLLVFQHEHOF-FQEVSTJZSA-N 464.172 6.846 50 10 JKGE C=CCOc1ccc(-c2nn(-c3ccccc3)cc2C=C2C(=O)N(C(C)C)C(=O)C(C#N)=C2C)c(C)c1 2314610196 DUEFBPGJPXYZQF-UHFFFAOYSA-N 492.579 5.413 50 10 JKGE COc1ccc(C[C@@H](Br)c2sc(Cl)cc2I)cc1 2316599842 XCVRXNCERYZYKM-SNVBAGLBSA-N 457.558 5.693 50 10 JKGE N#CC(=CN1CCN(C(c2ccccc2)c2ccccc2)CC1)C(=O)Nc1cc(Cl)ccc1Cl 2324381212 CXXXOKUWEAIBLO-UHFFFAOYSA-N 491.422 5.747 50 10 JKGE C[C@H](c1ccccc1)N1C[C@@H](C(O)=C(C#N)c2nc(-c3ccc4c(c3)CCCC4)cs2)CC1=O 2331239814 CKBQUROXNDDAGC-JPYJTQIMSA-N 469.610 6.091 50 10 JKGE CCc1ccc(-c2csc(C(C#N)=C(O)[C@@H](CCSC)N3C(=O)c4ccccc4C3=O)n2)cc1 2331246023 SRPTWMMQIXMNCU-JOCHJYFZSA-N 489.622 5.583 50 10 JKGE CC(C)N1C(=O)c2ccc(C(O)=C(C#N)c3nc(-c4ccc(Cl)cc4Cl)cs3)cc2C1=O 2331250634 NKRMNCFGGVUDAR-UHFFFAOYSA-N 484.364 6.071 50 10 JKGE Cc1ccc(C)c(OCC(O)=C(C#N)c2nc(-c3ccc(Br)cc3)cs2)c1C 2331260395 BUNXXBLYNGVWBI-UHFFFAOYSA-N 455.377 6.370 50 10 JKGE COc1ccc(-c2csc(C(C#N)=C(O)CNC(=O)c3ccc(Cl)cc3)n2)c(C)c1C 2331361317 HZRWAOGDZHAXKP-UHFFFAOYSA-N 453.951 5.312 50 10 JKGE CCCCCCOc1ccc(C(O)=C(C#N)c2nc(-c3cc(OCC)ccc3OCC)cs2)cc1 2331376466 GXTYHCDIOZNWAS-UHFFFAOYSA-N 492.641 7.516 50 10 JKGE COc1c(C)cc(Cl)cc1-c1csc(C(C#N)=C(O)c2ccc(NS(C)(=O)=O)cc2)n1 2331391866 QSSBOCGDMACUMH-UHFFFAOYSA-N 475.979 5.102 50 10 JKGE CCc1cccc(C)c1N1C[C@H](C(O)=C(C#N)c2nc(-c3c(C)cc(C)cc3C)cs2)CC1=O 2331393924 JDDARMZFAYMECL-OAQYLSRUSA-N 471.626 6.452 50 10 JKGE Cc1ccc(C(C)(C)C)cc1-c1csc(C(C#N)=C(O)[C@H](C)Oc2ccc(C(C)C)cc2)n1 2331397211 VOTCQFHBVRTXCT-IBGZPJMESA-N 460.643 7.800 50 10 JKGE Fc1c(Br)cc(Cl)c([C@H](Cl)c2ccccc2Br)c1Br 2337082858 QVXRCLZJVSAWPK-GFCCVEGCSA-N 491.807 7.095 50 10 JKGE Fc1c(Br)cc(Cl)c([C@H](Br)c2ccc(Cl)cc2)c1Br 2337091685 FOWBFKUYZCHAOO-LLVKDONJSA-N 491.807 7.142 50 10 JKGE C[C@@H]1CN(Cc2ccc(Cl)c(I)c2)CC[C@H]1CCBr 2337228364 WGJPFVJZRPXFCO-DGCLKSJQSA-N 456.593 5.188 50 10 JKGE COc1c(Br)cc(C)c([C@H](Br)[C@H]2C[C@@H]2C(F)F)c1Br 2339656910 SEGJMESDQHOYFZ-MHYGZLNHSA-N 462.954 5.866 50 10 JKGE COc1c(Br)cc(C)c([C@H](Br)[C@@H]2CCC2(C)C)c1Br 2339657692 AJZWVNIKMZXYGA-JOYOIKCWSA-N 455.028 6.401 50 10 JKGE COc1cc([C@@H](Br)Cc2cc(Br)cc(Br)c2)sc1Cl 2340293794 NVVXZBIQASNJAI-JTQLQIEISA-N 489.454 6.614 50 10 JKGE CC1=C(C)C[C@](CBr)(Cc2cccc(Br)c2Br)CC1 2343299425 HLWTUADDOPOCQH-INIZCTEOSA-N 451.040 6.656 50 10 JKGE CC(C)c1cccc([C@@H](Br)c2cc(Br)ccc2OCc2ccccc2)c1 2343655258 SHTYLMHCTYKCCT-HSZRJFAPSA-N 474.236 7.636 50 10 JKGE Fc1cc(Cl)c(Br)c(Cl)c1[C@@H](Br)[C@H]1COCCC1(F)F 2360484682 USTABQVMXHNZEV-ANLVUFKYSA-N 456.911 6.003 50 10 JKGE COc1c(Br)cc(C)c([C@@H](Br)[C@]23COC[C@H](C2)C3)c1Br 2365218499 LPKOWHJCZVGFIB-DFKRKDTASA-N 469.011 5.391 50 10 JKGE COc1c(Br)cc(C)c([C@@H](Br)CC[C@H]2CCCO2)c1Br 2365231649 NJGXUVDRNITZEW-MNOVXSKESA-N 471.027 5.924 50 10 JKGE CC(C)(C)[C@@H]1CC[C@@H]1COc1c(Br)cc(CBr)cc1Br 2369278196 LEZQZASPPWVBCF-VXGBXAGGSA-N 469.055 6.558 50 10 JKGE CC[C@H](O[C@@H]1CN(C(=O)OC(C)(C)C)C[C@H]1I)c1ccc(C(F)(F)F)cc1 2369783172 OLNPPIVUNCEUDR-OWCLPIDISA-N 499.311 5.596 50 10 JKGE COC(=O)c1ccccc1NC(=O)/C(C#N)=C\c1ccc(OC)c(OCc2ccc(Cl)cc2)c1 1439536 WFEONLROIBZITC-UYRXBGFRSA-N 476.916 5.260 50 10 JKGE COc1ccc(C[C@H]2S/C(=C(\C#N)C(=O)Nc3ccc(C)cc3)N(c3ccccc3)C2=O)cc1 2227331 XDTJMVHKVLZRLS-GUNDDFSMSA-N 469.566 5.069 50 10 JKGE O=C(NC1CCCCCC1)[C@H](c1ccc(F)cc1Cl)N(Cc1ccccc1)C(=O)CCl 3039216 FZKSLNJBARTUMF-QHCPKHFHSA-N 465.396 5.627 50 10 JKGE CC[C@]1(C)Cc2ccccc2C(=O)[C@]12SS[C@@]1(S2)C(=O)c2ccccc2C[C@@]1(C)CC 8430763 RUWJPVKEUGOGNU-XPGKHFPBSA-N 468.709 7.218 50 10 JKGE Cc1cc([C@H]2C(C#N)=C(N)N(c3ccc(C)c(Cl)c3)C3=C2C(=O)CC(C)(C)C3)c(C)s1 9982147 ARXBCDNVGVIBOM-QFIPXVFZSA-N 452.023 6.268 50 10 JKGE COc1ccc(C(=O)NNC(=O)N2c3ccccc3Sc3ccccc32)cc1Br 13988876 JQJKIPDLPALZNR-UHFFFAOYSA-N 470.348 5.115 50 10 JKGE Cc1ccc(N2C(=O)[C@H](Cc3cccc(C)c3)S/C2=C(\C#N)C(=O)NCCc2ccccc2)cc1 16739718 TWRANUWTXFANDP-OAUQLRMZSA-N 481.621 5.089 50 10 JKGE Cc1ccc(C)c(N/C(SCc2ccc(F)cc2)=C(/C#N)S(=O)(=O)c2ccccc2)c1 20325692 XWRZZAHDHWAIRO-WCWDXBQESA-N 452.576 5.954 50 10 JKGE N#C/C(=C\c1ccc(-c2cc(Cl)cc(Cl)c2)o1)c1nc(-c2ccc(Cl)cc2)cs1 33567692 ZLMYJDBJVZOQIE-OQLLNIDSSA-N 457.769 8.094 50 10 JKGE Cc1cc(/C=C(/C#N)c2nc(-c3ccc(Cl)cc3)cs2)c(C)n1-c1ccc(Br)cc1 33602298 WTEYCQDNTZEOFQ-UNOMPAQXSA-N 494.845 7.698 50 10 JKGE COc1ccc2cc(/C(C)=N\NC(=O)c3cc(-c4ccc(Cl)cc4)nc4ccccc34)ccc2c1 33750127 CJAQYJPHVCFFIL-CAQPMQTCSA-N 479.967 6.871 50 10 JKGE CC(C)c1ccccc1Oc1coc2cc(OC(=O)/C(C#N)=C\c3ccccc3)ccc2c1=O 35112397 WVKYTPKSMLUFCE-ZHZULCJRSA-N 451.478 6.221 50 10 JKGE N#C/C(=C\c1ccc(-c2cc(C(F)(F)F)ccc2Cl)o1)C(=O)Nc1ccc2ccccc2c1 35519125 KSIRUKYZGSDEGK-SFQUDFHCSA-N 466.846 7.318 50 10 JKGE O=C(NNc1ncnc(Nc2ccc(C(F)(F)F)cc2)c1[N+](=O)[O-])c1ccc(Cl)cc1Cl 40658814 PXKXSGBJDMYIGD-UHFFFAOYSA-N 487.225 5.211 50 10 JKGE CCCCOc1ccc(/C=C(\C#N)C(=O)Oc2ccc(C(=O)Nc3ccc(Cl)cc3)cc2)cc1 40882607 XKSDRWJBCIDWLE-HEHNFIMWSA-N 474.944 6.284 50 10 JKGE COc1cc(/C=C(/C#N)C(=O)NCCc2ccccc2)ccc1OCc1c(Cl)cccc1Cl 40889445 BNFVBQIJSKBMBU-ZHZULCJRSA-N 481.379 5.847 50 10 JKGE C/C(=N\NC(=O)CCCSc1nnc(CCc2ccccc2)n1-c1ccccc1)c1cccs1 58991687 IDBQVXRCLHSUGH-NHFJDJAPSA-N 489.670 5.527 50 10 JKGE C[C@@H](Cl)c1ccccc1NS(=O)(=O)c1cc(Br)ccc1Br 96873341 RKTCILJWGSYOBB-SECBINFHSA-N 453.583 5.312 50 10 JKGE Cl[C@H](Cc1cccc(Br)c1)c1cc(Br)ccc1Br 104035831 DTGWMLJAHQCTDK-CQSZACIVSA-N 453.399 6.497 50 10 JKGE Cc1ccc(N/C(SCC(=O)Nc2ccc3ccccc3c2)=C(\C#N)C(=O)N2CCCC2)cc1C 104878772 YXPYKQHQCGFLSH-RFBIWTDZSA-N 484.625 5.598 50 10 JKGE Fc1ccc(Br)c([C@H](Br)c2cc3c(cc2Br)OCCO3)c1 109865504 WBPBHPYYTIRXDF-HNNXBMFYSA-N 480.953 5.606 50 10 JKGE COc1cc(Cl)c([C@@H](Br)c2ccc(I)cc2)cc1OC 109866653 UGMUYXJRRGHRCX-HNNXBMFYSA-N 467.528 5.446 50 10 JKGE O=C(NC1=CCCCC1)[C@H](c1cccs1)N(C(=O)CCl)c1cccc(C(F)(F)F)c1 117416153 SFICQQGPLJYJRO-IBGZPJMESA-N 456.917 5.654 50 10 JKGE BrCC(CBr)(Cc1ccccc1)Cc1ccccc1Br 118875792 FITIKDMWCJVNIJ-UHFFFAOYSA-N 461.035 6.011 50 10 JKGE Cl[C@@H](Cc1ccc(Br)cc1)c1cc(Br)c(Br)s1 124712656 YARIOUJSAPXPPF-JTQLQIEISA-N 459.428 6.558 50 10 JKGE CC(C)(C)[Si](C)(C)OC[C@H](C(=O)OCc1ccccc1)N(Cc1ccccc1)Cc1ccccc1 195816439 GEXPYQRWGJWCOB-MUUNZHRXSA-N 489.732 6.823 50 10 JKGE N#C/C(=C/c1ccc(-c2cccc(C(F)(F)F)c2)o1)C(=O)Nc1ccc(OC(F)(F)F)cc1 209391222 VJFNFTXZOOZKOV-KAMYIIQDSA-N 466.337 6.410 50 10 JKGE CCOc1ccc(C)cc1[C@@H](C)NC(=O)/C(C#N)=C\Nc1cc(C(F)(F)F)cc(C(F)(F)F)c1 217186331 ODLLOFFLEOEFAF-QAALXFNPSA-N 485.428 6.128 50 10 JKGE COc1ccc(OC)c(NC(=O)/C(C#N)=C\Nc2ccc(-c3nc4ccc(C)cc4s3)cc2)c1 217217754 NOCWHTQTQVCQQO-SDXDJHTJSA-N 470.554 5.747 50 10 JKGE BrCc1ccc(Br)cc1Oc1cccc(I)c1 218202461 NGMHIDLPHWIXPK-UHFFFAOYSA-N 467.926 5.741 50 10 JKGE Cc1ccc(CCN(C(=O)CCl)[C@H](C(=O)N[C@@H]2CCCC[C@H]2C)c2ccc(Cl)cc2)cc1 230275376 MIVNZEQGQXBYTJ-NIDLKEISSA-N 475.460 5.695 50 10 JKGE CC(C)Oc1ccc([C@@H](Cl)c2cc(I)ccc2Br)cc1 232675248 HULZKSOMNIZLOD-MRXNPFEDSA-N 465.556 6.169 50 10 JKGE Clc1cc2c(cc1[C@@H](Cl)c1cc(Br)sc1Br)OCCO2 236045768 FQMLIKGRMOBWSM-GFCCVEGCSA-N 458.986 6.026 50 10 JKGE CCn1c2ccccc2c2cc(C=NNC(=O)c3ccccc3I)ccc21 252599234 DHFFEIASJKNRSO-UHFFFAOYSA-N 467.310 5.183 50 10 JKGE COc1ccc(C=NNC(=O)c2sc3cccc(Cl)c3c2Cl)cc1CN1CCSCC1 252611714 IMBVATPPUDYXOO-UHFFFAOYSA-N 494.469 5.529 50 10 JKGE Cc1cccc(C(=O)Oc2ccc3ccccc3c2C=NNC(=O)c2cc3ccccc3cc2O)c1 254825709 OUBAEQXNJRFDER-UHFFFAOYSA-N 474.516 5.990 50 10 JKGE CC[C@@H]1CCC[C@@H](O[C@](C)(CI)CN(CC)C(=O)OC(C)(C)C)C1 303741482 OQBAOLNPKWYSGY-GPMSIDNRSA-N 453.405 5.423 50 10 JKGE Br[C@@H](Cc1nc2ccccc2s1)c1sccc1I 311019884 BZEPFEAQOKKYMA-QMMMGPOBSA-N 450.164 5.641 50 10 JKGE ClCCc1nc2ccccc2n1-c1ccc(I)c(Br)c1 380033157 KHOGVHKAGAKJEG-UHFFFAOYSA-N 461.528 5.174 50 10 JKGE O=C(OCc1ccccc1)N1C[C@@H](CBr)[C@@H](c2ccc(Br)cc2Cl)C1 382725696 QBHNIGXJPJOAGX-PBHICJAKSA-N 487.619 5.850 50 10 JKGE COc1ccc(Br)cc1[C@H](Br)c1cc(C)c(Br)cc1C 383557311 VREMNYWAFWCEDT-MRXNPFEDSA-N 463.007 6.321 50 10 JKGE O=C(N[C@@H](CBr)C1CCCCC1)c1cc(Br)ccc1Br 386307522 WITIDQDXFOMXPE-AWEZNQCLSA-N 468.027 5.285 50 10 JKGE C[C@H](Cl)c1nc2cc(I)c(F)cc2n1C1[C@@H]2CN(Cc3ccccc3)C[C@@H]12 398383555 VDVNZIDMHWIXEQ-NWANDNLSSA-N 495.767 5.383 50 10 JKGE Clc1cc([C@H](Br)Cc2ccc(Br)cc2)c(Cl)c(Cl)c1Cl 404644711 FTCWFMADFREYDH-SNVBAGLBSA-N 477.838 7.741 50 10 JKGE CC(C)(C)OC(=O)NCCN1CC[C@@H](c2ccc(CO[Si](C)(C)C(C)(C)C)cc2)c2ccccc21 616674258 GTQUFMQHOQQHMR-DEOSSOPVSA-N 496.768 7.075 50 10 JKGE CCOc1ccc([C@@H](Br)Cc2ccccc2Br)c(Br)c1 692449602 VBGYCMMNEZVSAV-HNNXBMFYSA-N 463.007 6.289 50 10 JKGE Fc1cc(Br)c([C@H](Cl)c2scc(Br)c2Br)c(F)c1F 705475129 JDIMJOHKPXEGGD-QMMMGPOBSA-N 499.371 6.781 50 10 JKGE BrCc1cc(Br)ccc1N1C[C@H]2CC[C@H]1[C@H]1CN(Cc3ccccc3)C[C@@H]21 705885829 IGULYZKCVZVUMA-NPWUYRIISA-N 490.283 5.691 50 10 JKGE Clc1ccc([C@H](Cl)c2ccc(I)c(Br)c2)c(Cl)c1 721593738 LJICYRHBYKBWPB-CYBMUJFWSA-N 476.366 6.689 50 10 JKGE COc1ccc([C@H](Br)c2cccc(F)c2I)c(Cl)c1 721684141 LEUMTGLWKFODHZ-ZDUSSCGKSA-N 455.492 5.577 50 10 JKGE Cc1cccc(C)c1NC(=O)CSc1ccc(C=NNC(=O)c2cc3ccccc3cc2O)o1 1084044212 PMYYEZLLQSLCJK-UHFFFAOYSA-N 473.554 5.250 50 10 JKGE Cc1cccc(C)c1-n1c(C)cc(C=NNC(=O)CSCc2ccc([N+](=O)[O-])cc2)c1C 1084217017 LHZBQMDUWQRLRP-UHFFFAOYSA-N 450.564 5.003 50 10 JKGE Cc1c(C=NNC(=O)c2ccccc2Br)c2ccccc2n1Cc1ccc(C#N)cc1 1084317777 FLIPDYKHRWNBCU-UHFFFAOYSA-N 471.358 5.396 50 10 JKGE Cc1cc(C(=O)O)ccc1-n1c(C)cc(C=NNC(=O)c2cc3cc(Br)ccc3o2)c1C 1084647652 JBXPJHZIHWDOJD-UHFFFAOYSA-N 494.345 5.373 50 10 JKGE CCCCCOc1ccc([C@@H]2CN(C(=O)OC(C)(C)C)C[C@@H]2CI)cc1 1614689359 YMZVYULJUMUPSU-HKUYNNGSSA-N 473.395 5.641 50 10 JKGE Cc1c(C(=O)N2c3ccccc3C[C@H]2C)oc2c1C(=NNC(=O)c1ccccc1Cl)CCC2 1772743669 FWKSQACGRGJLPB-OAHLLOKOSA-N 461.949 5.303 50 10 JKGE CCCCOc1ccc(NC(=O)c2oc3c(c2C)C(=NNC(=O)COc2ccccc2)CCC3)cc1 1772748562 AWXCCDFAEPBPTF-UHFFFAOYSA-N 489.572 5.255 50 10 JKGE COc1cc(C=NNC(=O)COc2cc(C)c(Cl)c(C)c2)ccc1OCc1ccc(C)cc1 1772754771 UTLAKOYNZAGUNO-UHFFFAOYSA-N 466.965 5.382 50 10 JKGE CCc1nn(-c2ccc(Cl)c(Cl)c2)c2c1[C@H](c1ccc(Cl)c(Cl)c1)C(C#N)=C(N)O2 1865685550 JYIVECVNRQOBLF-GOSISDBHSA-N 480.182 6.266 50 10 JKGE N#CC1=C(N)Oc2c(c(-c3ccccc3)nn2Cc2ccccc2F)[C@H]1c1c(Cl)cccc1Cl 1865686407 VKSUXNPMRNBPQA-OAQYLSRUSA-N 491.353 6.262 50 10 JKGE CCCOc1ccccc1[C@@H]1C(C#N)=C(N)Oc2c1c(C(F)(F)F)nn2Cc1ccc(F)cc1 1865702437 AHGKDUBCZYLDEZ-LJQANCHMSA-N 472.442 5.096 50 10 JKGE N#CC1=C(N)Oc2c(c(-c3ccccc3)nn2Cc2ccccc2)[C@H]1c1ccc(C(F)(F)F)cc1 1865710769 HTQVJZXRNDJQAA-QFIPXVFZSA-N 472.470 5.835 50 10 JKGE N#CC1=C(N)Oc2c(c(-c3ccccc3)nn2Cc2cccc(F)c2)[C@@H]1c1ccc(C(F)(F)F)cc1 1865711320 VOQMOPSXFVSLQQ-JOCHJYFZSA-N 490.460 5.974 50 10 JKGE Cc1ccc(-c2nc(Nc3ccc(C(=O)Oc4ccc([N+](=O)[O-])c(C)c4)cc3)sc2C)cc1C 1865789223 ZUBPHRHUOIVALG-UHFFFAOYSA-N 473.554 6.915 50 10 JKGE Cc1ccccc1-c1nc(Nc2ccc(SC#N)cc2)cc(N2CCc3ccccc3[C@H]2C(C)C)n1 1868301489 PXRPUALWQJPNKJ-GDLZYMKVSA-N 491.664 7.529 50 10 JKGE Cc1ccc(-c2nc(Nc3ccc(SC#N)cc3)cc(N3CCc4ccccc4[C@@H]3C(C)C)n2)cc1 1868321109 VTRNBSKMFFORNA-LJAQVGFWSA-N 491.664 7.529 50 10 JKGE CCOC(=O)c1ccc(Oc2c(C)oc3cc(OCc4ccc(CCl)cc4)ccc3c2=O)cc1 1871437020 WTODNMIQPBRTLO-UHFFFAOYSA-N 478.928 6.388 50 10 JKGE COc1cccc(/C=C(\C#N)c2nc3ccccc3s2)c1OCc1ccc(Cl)c(Cl)c1 1872726814 NDATZTSUNNSBBI-SFQUDFHCSA-N 467.377 7.255 50 10 JKGE N#C/C(=C\c1cccc(OCc2ccc(Cl)cc2Cl)c1)c1cc2c(cc1[N+](=O)[O-])OCCO2 1872728864 YGDGIMLGYFKDER-CAOOACKPSA-N 483.307 6.316 50 10 JKGE COc1cc(/C=C(\C#N)c2ccc(Cl)cc2F)ccc1OCc1ccc(Cl)cc1Cl 1872729590 SUBFFSMNNDCYFG-LZYBPNLTSA-N 462.735 7.438 50 10 JKGE COc1cc(C)c(-c2csc(/C(C#N)=C(\O)c3ccccc3Br)n2)cc1C(C)C 1872753674 IMEGWFVDAKSVRL-PYCFMQQDSA-N 469.404 6.963 50 10 JKGE COc1ccc(C/C(O)=C(\C#N)c2nc(-c3cc(Cl)c(OC)cc3OC)cs2)c(OC)c1 1872756572 QENKZHRCDYNRMP-MNDPQUGUSA-N 472.950 5.533 50 10 JKGE Cc1c(/C(O)=C(\C#N)c2nc(-c3cc(Cl)ccc3Cl)cs2)cc([N+](=O)[O-])cc1[N+](=O)[O-] 1872758988 ZZQFKTMUGRJFHA-JXAWBTAJSA-N 477.285 6.192 50 10 JKGE FC(F)[C@@H]1C[C@@H]1[C@@H](Br)c1c(Br)sc(Br)c1Cl 1894330126 BOEGHFAKORRVJB-GDGKWOGESA-N 459.375 6.264 50 10 JKGE Cc1csc([C@@H](Br)c2ccc(OCc3ccccc3)cc2Br)c1 1899865406 TVLZJGYYFYFITG-IBGZPJMESA-N 452.211 6.882 50 10 JKGE Brc1cc(C[C@@H]2CCC[C@@H](Br)C2)ccc1I 1904328749 GEPBCWYZEWXWAB-GXSJLCMTSA-N 457.975 5.550 50 10 JKGE FC1(F)[C@@H]2CC[C@H]([C@H](Br)c3sc(Br)cc3Br)[C@@H]21 1905693599 QUJDIDXUTJFDFF-MKTOGPLKSA-N 450.968 6.000 50 10 JKGE Cc1nsc(Br)c1[C@@H](Cl)c1cc(Br)c(Br)s1 1912972103 ULPJSXSOYQZTER-ZETCQYMHSA-N 466.445 6.129 50 10 JKGE Cc1nsc(Br)c1[C@H](Br)c1cc2nc(O)[nH]c2cc1Br 1912982615 OULOFTJDJHVYSK-SNVBAGLBSA-N 481.995 5.043 50 10 JKGE O=C(c1ccc(C(F)(F)F)c(Cl)c1)N(Cc1ccccc1)[C@H](CBr)C1CC1 1915264637 SDVYNPRHNAPIOT-GOSISDBHSA-N 460.721 6.175 50 10 JKGE Cc1cc(Br)ccc1[C@@H](Cl)c1sc(Br)c(C)c1Br 1922940658 LUHXPJFUIYRUAD-LLVKDONJSA-N 473.455 6.981 50 10 JKGE Clc1cc(Cl)cc([C@H](Cl)c2c(Br)sc(Br)c2Cl)c1 1923038576 JXJXNDMDGOYWIF-QMMMGPOBSA-N 469.840 7.562 50 10 JKGE CC(C)C1([C@@H](Br)c2c(Br)sc(Br)c2Cl)CC1 1923038692 JZZHWMPJDPPDCO-QMMMGPOBSA-N 451.449 6.799 50 10 JKGE CCc1ccccc1[C@H](Br)c1c(Br)sc(Br)c1Cl 1923048422 HCMRVBIWYVVLBD-JTQLQIEISA-N 473.455 6.973 50 10 JKGE C[C@@H]1OCC[C@H]1[C@@H](Br)c1c(Br)sc(Br)c1Cl 1923068815 WRVXWEJUABGRLH-HBPOCXIASA-N 453.421 5.788 50 10 JKGE CC[C@@H](CC(F)(F)F)[C@H](Cl)c1c(Br)sc(Br)c1Br 1924604920 JZWLFJNERRVZNP-FFWSUHOLSA-N 493.408 7.294 50 10 JKGE Cl[C@@H](c1c(Br)sc(Br)c1Br)[C@H]1C[C@@H]2CC[C@H]1O2 1924615268 YMAVQCGEGDNFNE-OLNRIVSGSA-N 465.432 5.883 50 10 JKGE C[C@H]1Cc2cc([C@H](Br)c3csnc3Br)cc(Br)c2O1 1925270156 KJKOSYVJGHOFML-KGFZYKRKSA-N 468.008 5.476 50 10 JKGE Clc1ccc([C@@H](Br)c2c(Cl)sc(Cl)c2Cl)c(Br)c1 1925587607 KUHATFQNLQTTSL-MRVPVSSYSA-N 469.840 7.609 50 10 JKGE C[C@@H]1C[C@H](N(C)c2cc(Br)ccc2CBr)CN1Cc1ccccc1 1949203259 BEJVQQGYMQLJJX-BEFAXECRSA-N 452.234 5.443 50 10 JKGE C[C@]1([C@H](Br)c2sc(Br)cc2Br)C[C@H]1C(F)(F)F 1950756314 ZMDIXGLCSVLQHC-CGMLFGJQSA-N 456.947 6.298 50 10 JKGE C[C@@H]1C[C@@H](C[C@H](Cl)c2c(Br)sc(Br)c2Br)CO1 1997176865 ZTBJNEUNHZAXJL-VQVTYTSYSA-N 467.448 6.131 50 10 JKGE Cc1c(Br)ccc([C@@H](Br)c2occc2Br)c1Br 2024283297 PCXLWNLKDPSKQD-LLVKDONJSA-N 487.811 6.360 50 10 JKGE CC12COC([C@@H](Cl)c3c(Br)sc(Br)c3Br)(C1)C2 2025087483 HOHBVRWTPNSPBO-ARTQYDKTSA-N 465.432 5.885 50 10 JKGE FC(F)(F)[C@H]1CCc2c(Br)ccc(Br)c2[C@H](Br)C1 2029771303 QAHSPQLLBZNBDR-QUBYGPBYSA-N 450.918 6.162 50 10 JKGE Brc1cccc(Br)c1[C@@H](Br)c1ccc(C2CC2)s1 2033091913 WYCKHLMZLAIJGH-AWEZNQCLSA-N 451.021 6.635 50 10 JKGE Cc1sc(Br)cc1[C@@H](Br)c1cc(F)c(Br)cc1F 2034563069 ZJWAZBQQAGTTKW-GFCCVEGCSA-N 460.963 6.344 50 10 JKGE COc1sc([C@H](Br)c2ccc(F)cc2Br)cc1Br 2034629283 MCBKZNUABPHDCU-LLVKDONJSA-N 458.972 5.905 50 10 JKGE C[C@]1(CCOCc2ccccc2)CCN1c1cc(Br)cc(F)c1CBr 2077086189 SCPMGCRYRHFEEX-HXUWFJFHSA-N 471.208 6.059 50 10 JKGE Cc1cccc([C@@H](Br)c2ccc(Br)cc2Br)c1Br 2083340571 UYNZVCKBZLOKAR-AWEZNQCLSA-N 497.850 6.767 50 10 JKGE Cc1nc(C[C@H](Cl)c2cc(I)ccc2Br)sc1C 2085797419 FMKYDMXNJJWRFC-LBPRGKRZSA-N 456.574 5.650 50 10 JKGE Clc1ccccc1[C@@H](CBr)Cc1cccc(Br)c1Br 2092335725 PXOHQTNBQZMDEQ-LLVKDONJSA-N 467.426 6.586 50 10 JKGE BrC[C@H]1CC12CCN(Cc1ccc(Br)cc1Br)CC2 2092492086 XCOWRGRIRXFWBA-GFCCVEGCSA-N 452.028 5.209 50 10 JKGE Fc1cc(F)c([C@H](Br)c2c(Br)cccc2Br)cc1F 2094091262 RBWBVDYAAHAEPZ-ZDUSSCGKSA-N 458.897 6.113 50 10 JKGE COc1ccc(Br)cc1[C@H](Br)c1c(Br)sc(C)c1C 2101002769 FWSRIOWHXWCVCV-ZDUSSCGKSA-N 469.036 6.383 50 10 JKGE CC[C@H](Br)[C@H]1CCCCN1C(=O)c1csc(Br)c1Br 2114191773 DBUNGWIHMYUKSK-VHSXEESVSA-N 474.056 5.441 50 10 JKGE C[C@H]1[C@H](Br)C[C@H]2CC[C@H]1N2Cc1cc(Br)ccc1Br 2118522143 LTFVLFHWUSMZGO-ZEQHWRKHSA-N 452.028 5.348 50 10 JKGE Cc1cc(Br)c(C)c([C@@H](Br)C2(C)CCOCC2)c1Br 2136377689 RDXFUNDCWDFRSK-CQSZACIVSA-N 455.028 6.081 50 10 JKGE COc1c(Cl)cc(Br)cc1[C@H](Br)c1cccc(OCc2ccccc2)c1 2138249288 XGJIBSMZNQHZOW-HXUWFJFHSA-N 496.626 7.174 50 10 JKGE CC[C@H](CC(F)(F)F)[C@@H](Br)c1ccc(Br)c(C)c1Br 2138847993 CCZNKLFDNLUHPL-PRHODGIISA-N 466.961 6.935 50 10 JKGE Cc1c(Br)ccc([C@H](Br)[C@@H]2CCCCC2(C)C)c1Br 2138848309 AKQHZQYYEJYKKL-WFASDCNBSA-N 453.056 7.172 50 10 JKGE COc1cc(F)c(F)cc1[C@H](Br)c1cc(Br)c(Br)s1 2139627590 GTCWJFGZKGIPOZ-NSHDSACASA-N 476.962 6.044 50 10 JKGE COC[C@]12C[C@]([C@@H](Cl)c3c(Br)sc(Br)c3Br)(CO1)C2 2141164589 MRYSRGYRZZFJCN-UWJYBYFXSA-N 495.458 5.511 50 10 JKGE Fc1ccc(N2CC[C@H]3CCN(Cc4ccccc4)C[C@@H]3C2)c(CBr)c1Cl 2148939751 VAIRPDXMKQXYSH-QZTJIDSGSA-N 451.811 5.722 50 10 JKGE CC1(C)[C@@H](OCc2ccccc2)C[C@@H]1n1c(CCl)nc2cc(Cl)c(Br)cc21 2169014729 BPAWDQMJGHTRPZ-OALUTQOASA-N 468.222 6.747 50 10 JKGE O=S(=O)(Cc1ccc(CBr)cc1)N(Cc1ccccc1)CC1CCCCC1 2179788975 JVMFQHMOCXBENR-UHFFFAOYSA-N 450.442 5.494 50 10 JKGE CCOc1ccc([C@H](Br)c2c(Br)nn(C)c2C)cc1Br 2188147315 MGBLZZCGJCMXGN-ZDUSSCGKSA-N 466.999 5.137 50 10 JKGE CC(C)(C)CC1CC(O[C@@H](CI)c2cccc(Br)c2)C1 2188310209 ZGVMHHDTFVTSHT-MOQPWLNLSA-N 451.186 6.157 50 10 JKGE Brc1ccc([C@@H](CI)O[C@H]2COC3(CCCC3)C2)cc1 2189462813 QWEGNTHDSUYJAW-HUUCEWRRSA-N 451.142 5.044 50 10 JKGE FCCOc1ccccc1[C@@H](Br)c1cc(Br)ccc1Br 2189519021 UXHDEHBFKMEWFZ-OAHLLOKOSA-N 466.970 6.044 50 10 JKGE Cc1cc(Br)c(C)c([C@H](Br)[C@@H]2C[C@H]2C2CCCC2)c1Br 2201067805 BFZNVXBFDPWIGQ-OGHNNQOOSA-N 465.067 7.091 50 10 JKGE CSc1ccccc1[C@H](Br)c1c(C)c(Br)cc(C)c1Br 2201072516 VKWOVWCEHSEOGK-INIZCTEOSA-N 479.075 7.035 50 10 JKGE CC(C)(C)[C@@H](Cl)CCc1sc(Br)c(Br)c1Br 2212199701 FOOLHFUQYGIJAZ-ZETCQYMHSA-N 453.465 6.622 50 10 JKGE Fc1cc(Br)c(Br)cc1[C@@H](Cl)c1ccc(OCc2ccccc2)cc1 2218599284 ZYCXMKOBZAMINM-FQEVSTJZSA-N 484.590 7.258 50 10 JKGE Clc1cc(Br)c([C@H](Br)[C@H]2CCCOCC2)c(Cl)c1Cl 2224317198 LMELMWPZDBHQTA-WRWORJQWSA-N 451.413 6.662 50 10 JKGE Cc1ccc([C@H](Br)c2cc(F)c(F)cc2Cl)cc1I 2224622481 RMHCKQFOUPHCCR-AWEZNQCLSA-N 457.483 6.016 50 10 JKGE ClCc1nc2cc(Cl)c(Br)cc2n1C[C@@H]1CC1(Br)Br 2224800267 GGOGRWCPJYRETR-LURJTMIESA-N 491.836 5.697 50 10 JKGE COc1ccc(Br)c(CBr)c1OCc1ncc(Br)s1 2227736899 LDIKEOGCEHCUKS-UHFFFAOYSA-N 471.996 5.151 50 10 JKGE Clc1cc(Br)ccc1C[C@H](Cl)c1cccc(Br)c1Br 2229148812 FGSRHBUSOKTUPQ-ZDUSSCGKSA-N 487.844 7.150 50 10 JKGE Cc1c(Br)ccc([C@@H](Br)[C@@H]2C[C@H]3CCC[C@H](C3)C2)c1Br 2233649178 KFMZENFHPJUOAS-ZBYUQBLASA-N 465.067 7.172 50 10 JKGE CCCc1ccccc1[C@H](Br)c1cc(Br)c(Br)cc1F 2233992987 UVVVWTYAUYRDTH-INIZCTEOSA-N 464.998 6.788 50 10 JKGE Clc1cc([C@@H](Br)Cc2cc(Br)cc(Br)c2)cs1 2252837055 JWJCHNMBGWYFMN-NSHDSACASA-N 459.428 6.605 50 10 JKGE COC1([C@@H](Br)c2c(Br)cc(C)c(Br)c2C)CC(C)C1 2266427886 AIDJDNPLLZGOLH-MLRNSFOPSA-N 455.028 6.080 50 10 JKGE COc1ccc([C@H](Br)c2cc(C)cc(Br)c2)cc1I 2269554106 DIEBTDGFRQDUKC-HNNXBMFYSA-N 495.980 5.855 50 10 JKGE Brc1cocc1[C@@H](Br)c1cc(Br)c2c(c1)CCCO2 2270489356 MFOAYMYHVLYFIU-ZDUSSCGKSA-N 450.952 5.614 50 10 JKGE CC(C)([C@@H]1CCCO1)[C@H](Br)Cc1cc(Br)cc(Br)c1 2277962298 FRWGVYTZTSPOML-KGLIPLIRSA-N 455.028 5.723 50 10 JKGE COc1c([C@H](Br)c2ccc(Br)s2)cc(Br)c2c1CCC2 2284592780 DNAHIXOTLBBLPV-AWEZNQCLSA-N 481.047 6.255 50 10 JKGE Cc1ccc(NC(=O)C(C#N)=C2S[C@@H](Cc3ccc(Cl)cc3)C(=O)N2c2ccc(C)cc2)cc1 2293038859 BKRQFMLNSMUTDP-DEOSSOPVSA-N 488.012 6.022 50 10 JKGE CC(C)(C)N(CCCBr)C(=O)Cc1cc(Br)cc(Br)c1 2295307400 JEEHQNPWQVODCN-UHFFFAOYSA-N 470.043 5.166 50 10 JKGE CC(C)(C)[C@H](CCBr)NC(=O)Cc1cc(Br)cc(Br)c1 2295315560 NJLAVNXNTGNWIP-ZDUSSCGKSA-N 470.043 5.070 50 10 JKGE N#CC(=Cc1ccc(COc2ccc(Cl)c(Cl)c2)o1)C(=O)Nc1ccc2c(c1)OCO2 2295672359 PTMARTSPRNHUKL-UHFFFAOYSA-N 457.269 5.440 50 10 JKGE N#CC(C(=O)Nc1ccccc1)=C1S[C@H](Cc2cc(Cl)ccc2Cl)C(=O)N1c1ccccc1 2296506873 JKFCNINQRRNUCM-JOCHJYFZSA-N 494.403 6.058 50 10 JKGE FC1(F)CC[C@@H]1C[C@@H](Cl)c1c(Br)sc(Br)c1Br 2299067516 ITRBUMGGQVUSPS-RFZPGFLSSA-N 473.402 6.751 50 10 JKGE C[C@@H]1C[C@@H]1[C@@H]1C[C@H]1[C@H](Br)c1cc(Br)ccc1OCc1ccccc1 2299530189 JVPKLGUTMDQSGI-QRKSXFBESA-N 450.214 6.756 50 10 JKGE Cc1sc(Br)c([C@H](Br)c2csc(C)c2Br)c1C 2303645841 ICNGPRDWHWTYJJ-LLVKDONJSA-N 459.066 6.744 50 10 JKGE CCOc1cc(C=C(C#N)C(=O)Nc2ccccc2Cl)cc(I)c1OCC 2313518996 MBDGYBMLKRQOIO-UHFFFAOYSA-N 496.732 5.288 50 10 JKGE N#CC(=Cc1ccccc1OCc1ccc(Cl)c(Cl)c1)C(=O)Nc1cccc(Cl)c1Cl 2313570800 GOIPFOYIFVNOFS-UHFFFAOYSA-N 492.189 7.425 50 10 JKGE Cc1cc([N+](=O)[O-])ccc1-n1c(C)cc(C=C(C#N)C(=O)Nc2cccc(Cl)c2Cl)c1C 2313571230 QIFCGCVZWDTTRR-UHFFFAOYSA-N 469.328 6.163 50 10 JKGE C=CCNC(=O)C(C#N)=Cc1cn(-c2ccccc2)nc1-c1cccc(OCc2ccc(F)cc2)c1 2314477914 CCDQHUAROVJBDF-UHFFFAOYSA-N 478.527 5.467 50 10 JKGE Brc1ccc(OCc2ccccc2)c([C@@H](Br)[C@@]23CCCC[C@@H]2CC3)c1 2314498214 RROHPUZAQKEVDI-ZPMCFJSWSA-N 464.241 7.435 50 10 JKGE N#CC(=Cc1ccc(-c2ccccc2Cl)o1)C(=O)Nc1ccc(C(F)(F)F)c(Cl)c1 2314571984 PYEQXRJTPIKENK-UHFFFAOYSA-N 451.231 6.818 50 10 JKGE COc1ccccc1NC(=O)C(C#N)=C1S[C@H](Cc2ccccc2C)C(=O)N1c1ccc(C)c(C)c1 2314592234 ONLLNKAEJNWHFL-AREMUKBSSA-N 497.620 5.685 50 10 JKGE CCCNC(=O)C(C#N)=Cc1ccc(OC(=O)CCCOc2ccc(C(C)C)cc2)c(OC)c1 2314774012 OIEFEDRTLCBNBE-UHFFFAOYSA-N 464.562 5.016 50 10 JKGE Fc1c(Br)cc(Cl)c([C@@H](Br)[C@@H]2[C@H]3CCC[C@H]32)c1Br 2315452234 AABAAMFLJJNZTN-QUYDWZKXSA-N 461.394 6.486 50 10 JKGE CC12CC(C1)[C@H]([C@@H](Cl)c1c(Br)sc(Br)c1Br)CO2 2315914798 SOFJCXFPMGBWRN-IYZFWYLNSA-N 479.459 6.131 50 10 JKGE Fc1cc(Br)cc(F)c1[C@@H](Cl)c1sc(Cl)cc1I 2316602165 CVFXHORNYUETBC-SNVBAGLBSA-N 483.930 6.375 50 10 JKGE N#CC(=CNc1ccc(Br)cc1)C(=O)Nc1ccccc1Sc1ccccc1 2325331932 XZGAQRAEXJLDLK-UHFFFAOYSA-N 450.361 6.058 50 10 JKGE N#CSc1ccc(NC(=O)Oc2cccc3c(NC(=O)C=Cc4ccc(F)cc4)cccc23)cc1 2327365847 MUZSDNJZTIXYOD-UHFFFAOYSA-N 483.524 6.815 50 10 JKGE N#CC(=Cc1cccc(Br)c1)C(=O)Nc1cc(Cl)ccc1Oc1ccccc1 2329697765 OHMKTCWIJJMEMH-UHFFFAOYSA-N 453.723 6.440 50 10 JKGE CCCCc1ccc(N2C[C@H](C(O)=C(C#N)c3nc(-c4ccc5ccccc5c4)cs3)CC2=O)cc1 2331237885 PKQXDFBCTMRLHM-XMMPIXPASA-N 493.632 7.152 50 10 JKGE N#CC(=C(O)c1ccc2c(c1)C(=O)N(Cc1ccccc1)C2=O)c1nc(-c2ccc(Cl)cc2)cs1 2331295862 NDGMVOAXALRZSN-UHFFFAOYSA-N 497.963 6.210 50 10 JKGE COc1ccc(C(C)(C)C)cc1-c1csc(C(C#N)=C(O)Cc2ccc(Cl)c(Cl)c2)n1 2331349488 XIWLWXKJAZIMKM-UHFFFAOYSA-N 473.425 7.458 50 10 JKGE CCCCOc1ccc(C(O)=C(C#N)c2nc(-c3cc(C)cc(C)c3OC)cs2)cc1OCC 2331373163 HEHOSXBMLRCYNK-UHFFFAOYSA-N 478.614 6.963 50 10 JKGE Cc1ccc(C(C)(C)C)cc1-c1csc(C(C#N)=C(O)c2cc([N+](=O)[O-])c(C)c([N+](=O)[O-])c2)n1 2331396993 XTYOGLBOEFDGJA-UHFFFAOYSA-N 478.530 6.491 50 10 JKGE CC[C@@H](C)N1C(=O)c2ccc(C(O)=C(C#N)c3nc(-c4cc(C)c(OC)cc4C)cs3)cc2C1=O 2331402869 ZVSWLTKIHGHBHD-MRXNPFEDSA-N 487.581 5.780 50 10 JKGE CCCOc1ccc(-c2csc(C(C#N)=Cc3ccc(Cl)cc3Cl)n2)cc1OCCC 2331437920 SXHRCWSGEXGITO-UHFFFAOYSA-N 473.425 7.759 50 10 JKGE CCCCCOc1ccc(C=C(C#N)c2nc(-c3ccc4c(c3)OCO4)cs2)cc1OCC 2331453741 DUIIAROHJAUALE-UHFFFAOYSA-N 462.571 6.571 50 10 JKGE COc1cc(OC)c(-c2csc(C(C#N)=Cc3cc4c(cc3[N+](=O)[O-])OCCO4)n2)cc1Cl 2331472354 LJZHICIFPHTFOT-UHFFFAOYSA-N 485.905 5.224 50 10 JKGE Fc1cc(Cl)c(Br)c(Cl)c1[C@H](Cl)c1cccc(I)c1 2335281529 RYXCZUNXRIBEED-GFCCVEGCSA-N 494.356 6.828 50 10 JKGE Fc1ccc2cc([C@H](Br)c3sc(Cl)cc3I)sc2c1 2338773154 KUFWTTBDEIPHLZ-LBPRGKRZSA-N 487.584 6.844 50 10 JKGE COc1c(Br)cc(C)c([C@H](Br)C[C@H](C)C(F)F)c1Br 2339656107 KOTCSAWCYHQAFT-JGVFFNPUSA-N 464.970 6.256 50 10 JKGE C[C@@H]1[C@@H](Br)C[C@H]2CC[C@H]1N2Cc1ccc(Cl)cc1I 2341039841 BLRYLFXPQYTXNQ-BXKLLYQPSA-N 454.577 5.081 50 10 JKGE BrCc1cc(Br)c(O[C@@H](CC2CC2)C2CC2)c(Br)c1 2343841246 RCHMYSAIFIPHBO-AWEZNQCLSA-N 453.012 6.064 50 10 JKGE CCCc1sc(Br)cc1[C@H](Cl)c1cc(F)c(Br)cc1Cl 2363256261 MZERJRQRCWKUNG-CQSZACIVSA-N 461.021 7.346 50 10 JKGE Clc1ccc([C@H](Br)Cc2ccc3c(c2)CCO3)c(I)c1 2365591884 NKBGBONIGZEDFX-CQSZACIVSA-N 463.540 5.558 50 10 JKGE C[C@@H]1Cc2cc([C@H](Br)c3ccc(Cl)cc3I)ccc2O1 2365597488 HGWUHLNDMAFJDF-ABKXIKBNSA-N 463.540 5.752 50 10 JKGE ClC1CCC2(CCCN2Cc2ccc(I)c(Br)c2)CC1 2377315079 IAYAYGCFTHICHM-UHFFFAOYSA-N 468.604 5.570 50 10 JKGE N#C/C(=C\c1ccc(OCC(=O)Nc2ccc(F)cc2)c(Br)c1)c1ccc(Cl)cc1 2846932 OAPQIAIDURZYRQ-GZTJUZNOSA-N 485.740 6.323 50 10 JKGE CCc1ccc([C@H]2C(C#N)=C(N)N(c3ccc(Cl)c(Cl)c3)C3=C2C(=O)CC(C)(C)C3)s1 6284162 IXGXBHRVDZWRJX-OAQYLSRUSA-N 472.441 6.558 50 10 JKGE CCOC(=O)c1c(NC(=O)/C(C#N)=C/c2ccc(-c3ccc(C(=O)O)cc3)o2)sc(C)c1C 13458001 LXDAQYNGMPGFCI-GZTJUZNOSA-N 464.499 5.046 50 10 JKGE Cc1ccc(C(=O)NNC(=O)COc2ccc(C(C)(C)C)cc2C(C)(C)C)cc1Br 14661734 IMATXJUFOLXYIE-UHFFFAOYSA-N 475.427 5.193 50 10 JKGE N#C/C(=C\c1ccc(N2N=C(c3ccccc3)C[C@H]2c2ccccc2)cc1)c1nc2ccccc2[nH]1 33568776 JPIKBXUHKUNOIU-KXOKJJJCSA-N 465.560 6.983 50 10 JKGE Cc1cc(Oc2nc3c(C)cccn3c(=O)c2/C=C(\C#N)c2nc3ccccc3s2)ccc1Cl 33584194 RUJPLFIDJQJMIJ-GHRIWEEISA-N 484.968 6.431 50 10 JKGE CCCCOc1ccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)COc4ccc(F)cc4)ccc32)cc1 38650771 XADPPGKOWMAKSU-HHHXNRCGSA-N 488.515 5.207 50 10 JKGE CCc1ccc(OCC(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@@H]3c2ccc(CC)cc2)cc1 38677503 ILFDRQQEJPUTKV-HHHXNRCGSA-N 454.526 5.014 50 10 JKGE CCCCCOc1ccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4ccccc4OC)ccc32)cc1 38685281 LQLDDJAHRUZJEU-HHHXNRCGSA-N 484.552 5.702 50 10 JKGE CCOc1ccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4ccc(OC(C)C)cc4)ccc32)cc1 38685836 XZESYWXPRKVIOL-SANMLTNESA-N 470.525 5.310 50 10 JKGE CCCCCOc1ccccc1[C@@H]1C(C#N)=C(N)Oc2cc(OC(=O)c3ccccc3[N+](=O)[O-])ccc21 38686096 WCWOGHNTNQDIPO-SANMLTNESA-N 499.523 5.601 50 10 JKGE CC(C)CCOc1ccc(/C=N/NC(=O)CSc2nc(-c3ccc(Cl)cc3)cs2)cc1 40924917 OZGAOSYPACRCHO-DHRITJCHSA-N 474.051 6.131 50 10 JKGE CCCOc1ccc(/C=N/NC(=O)COc2cc(C)c(Cl)c(C)c2Br)cc1 40950708 WHXMUAPEKPCMPO-FOKLQQMPSA-N 453.764 5.037 50 10 JKGE O=C(N/N=C/c1cc(Cl)c(OCc2ccccc2Cl)c(Cl)c1)c1cc2ccccc2o1 59304283 IUZWEDKJTWRETI-KKMKTNMSSA-N 473.743 6.736 50 10 JKGE O=C(Nc1ccc(SSc2ccc(NC(=O)c3ccccc3)cc2)cc1)c1ccccc1 81137668 WHEOIEDUQSMVTO-UHFFFAOYSA-N 456.592 6.991 50 10 JKGE COc1ccc(N/C(SCc2cccc(C)c2)=C(\C#N)S(=O)(=O)c2ccccc2)cc1Cl 96482178 JFHHHGSJQDNCQE-VHXPQNKSSA-N 485.030 6.169 50 10 JKGE O=P(c1ccccc1)(c1ccccc1)c1cccc2cccc(-c3cccc4cccc(O)c34)c12 100521655 LFECSAGJDLWJMM-UHFFFAOYSA-N 470.508 7.005 50 10 JKGE CCc1ccc(N2C(=O)[C@H](Cc3ccc(C)c(C)c3)S/C2=C(/C#N)C(=O)NCc2ccccc2)cc1 101240855 OFMHUALCDQKMAW-DBJYNHDPSA-N 495.648 5.609 50 10 JKGE C=CCOc1ccc(-c2nn(-c3ccccc3)cc2/C=C2/C(=O)N(CCC)C(=O)C(C#N)=C2C)cc1 101332800 WBKFHPMTOVUIKC-KOEQRZSOSA-N 478.552 5.106 50 10 JKGE CC1=C(C#N)C(=O)N(Cc2ccccc2Cl)C(=O)/C1=C/c1ccc(OCc2ccccc2)cc1 101340859 MLBFORZBMUZURE-BUVRLJJBSA-N 468.940 5.711 50 10 JKGE CCCCCCCCCCOc1ccc(C(=O)N/N=C2\C[C@H](C)Cc3cc(OC)ccc32)cc1 105635069 SFIPMTKAYOWALQ-RYTCEIHBSA-N 464.650 6.931 50 10 JKGE CCCOc1ccc(/C=C(/C#N)C(=O)Nc2scc(-c3ccc(C)cc3)c2C(=O)OCC)cc1 108748130 KAJHDBZTEZJHGQ-QNGOZBTKSA-N 474.582 6.235 50 10 JKGE COc1c(Br)cc(Cl)cc1[C@@H](Br)c1cc(Cl)ccc1Cl 109836299 VCBUAPFOSVDSQW-ZDUSSCGKSA-N 459.392 6.902 50 10 JKGE COc1cc(Br)c(OCC2(CBr)CCCCCC2)cc1Br 118817065 OLIUXIVSYWJCIS-UHFFFAOYSA-N 485.054 6.335 50 10 JKGE C[C@H]1COc2ccc([C@@H](Cl)c3cc(Br)c(Br)s3)cc2OC1 128565964 IFDCMJPZOJTMHW-RMLUDKJBSA-N 452.595 6.009 50 10 JKGE Fc1cccc(CC(CBr)(CBr)C2CCCC2)c1Br 128729649 VHYIMAXARGEAMP-UHFFFAOYSA-N 457.019 6.097 50 10 JKGE N#C/C(=C/NCc1ccc(Br)cc1)C(=O)Nc1ccccc1Sc1ccccc1 217244019 HBPPWQWHNZGXAR-VLGSPTGOSA-N 464.388 5.736 50 10 JKGE COc1ccccc1N1CCN(/C=C(/C#N)C(=O)NC2CCCCCCCCCCC2)CC1 217260011 DXXNHNFJGJJTDK-FCQUAONHSA-N 452.643 5.014 50 10 JKGE COc1c(Br)cc(Cl)cc1[C@H](Cl)c1cccc(Br)c1Cl 228450250 XXEVYGVRZISJKC-GFCCVEGCSA-N 459.392 6.855 50 10 JKGE CCCOc1ccc([C@H](Cl)c2ccc(Br)c(Cl)c2)cc1Br 229001029 SANLBKCYMKFLDC-INIZCTEOSA-N 453.001 6.982 50 10 JKGE C[C@@H]1CCC[C@H](NC(=O)[C@H](c2ccc(F)cc2)N(CCC2=CCCCC2)C(=O)CCl)[C@@H]1C 230277647 RNGNMFXNBXJGQH-HMDZOYOFSA-N 463.037 5.766 50 10 JKGE COc1cc(F)c(Br)cc1[C@H](Br)c1cc(C)cc(Br)c1 234912782 AMLYHKOMQHRLDH-OAHLLOKOSA-N 466.970 6.152 50 10 JKGE COc1cc(F)c(Br)cc1[C@H](Br)c1cccc(Br)c1C 234915534 ICHWVWWOWUUQKN-OAHLLOKOSA-N 466.970 6.152 50 10 JKGE C[C@H](c1ccncc1)[C@H](Br)c1cc(I)ccc1Br 235286456 QZMGFNZNFQNJBF-OTYXRUKQSA-N 480.969 5.688 50 10 JKGE O=[N+]([O-])c1ccc(C[C@H](Br)c2cc(Cl)ccc2I)cc1 236068905 JIJPVTDVNZVTPZ-ZDUSSCGKSA-N 466.500 5.532 50 10 JKGE O=C(/C=C\c1ccco1)Oc1cccc(C=NNC(=O)[C@H]2CC2(c2ccccc2)c2ccccc2)c1 252593034 BIFKWSHXIGAWCG-BAKOPLTCSA-N 476.532 5.355 50 10 JKGE Brc1ccc([C@H](Br)c2cc(I)cc3c2OCC3)s1 310691036 QNWUGCLCWPMKAL-GFCCVEGCSA-N 499.993 5.534 50 10 JKGE Cc1cc([C@@H](Br)c2cc(I)cc3c2OCC3)ccc1Cl 312376434 QMJOMRKFBCHLDO-OAHLLOKOSA-N 463.540 5.672 50 10 JKGE COc1cc(Br)ccc1[C@H]1CN(C(=O)OCc2ccccc2)C[C@@H]1CBr 382687952 GUNZBAJQEUIXNM-YJBOKZPZSA-N 483.200 5.205 50 10 JKGE Clc1cccc(C[C@H](CBr)Cc2cc(Cl)ccc2I)c1 405538776 QJWVOSQFLGPQDX-LBPRGKRZSA-N 484.002 6.394 50 10 JKGE CC(C)(C)[Si](C)(C)OCc1ccc([C@H]2CN(S(=O)(=O)c3ccccc3)c3ccccc3N2)cc1 616586716 WJYWMNASEYTACD-RUZDIDTESA-N 494.733 6.571 50 10 JKGE CC(C)(C)OC(=O)NCCN1CCCC[C@H]1c1cccc(CCO[Si](C)(C)C(C)(C)C)c1 616616095 GIJXSWPMIBHVER-QHCPKHFHSA-N 462.751 6.303 50 10 JKGE CC(C)(C)[Si](C)(C)OCCc1ccccc1[C@H]1CCCCN1CCO[Si](C)(C)C(C)(C)C 616623255 DCWKVXZFPYFHMY-RUZDIDTESA-N 477.882 7.800 50 10 JKGE CC(C)(C)OC(=O)NCCN1CCO[C@H](c2ccccc2CO[Si](C)(C)C(C)(C)C)C1 616649086 UIHVQWMEPSUEID-NRFANRHFSA-N 450.696 5.106 50 10 JKGE CCc1ccc([C@@H](Cl)c2ccc(I)c(Br)c2)cc1CC 721574265 XITBLCOZQQCVLR-QGZVFWFLSA-N 463.584 6.507 50 10 JKGE Cc1sc([C@H](Br)c2cccc(F)c2I)cc1Br 721674005 WEOUUTSJYWYLCD-LLVKDONJSA-N 489.973 6.047 50 10 JKGE Cc1cc(C=NNC(=O)COc2ccc(Cl)cc2Cl)c(C)n1-c1cccc(Cl)c1Cl 725418959 YHHQTEMJIMKDOK-UHFFFAOYSA-N 485.198 6.237 50 10 JKGE CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(Cl)cc2)ccc1OCc1cccc(F)c1 1083871585 FBIZWZGMKUHETB-XDHOZWIPSA-N 450.897 6.002 50 10 JKGE CCOc1cc(/C=C(/C#N)C(=O)Nc2ccc(Cl)c(Cl)c2)c(Br)cc1O 1084046366 OYDDAMFPDRDDKK-WZUFQYTHSA-N 456.123 5.406 50 10 JKGE Cc1c(C(=O)Oc2ccc(-c3ccc(C#N)cc3)cc2)oc2c1C(=NNC(=O)c1cccs1)CCC2 1772749376 MNLUKJIYYMACBW-UHFFFAOYSA-N 495.560 5.878 50 10 JKGE N#CC1=C(N)Oc2c(c(C(F)(F)F)nn2Cc2cccc(F)c2)[C@@H]1c1c(F)cccc1Cl 1865685799 MZWZRKJOEODNJN-HNNXBMFYSA-N 466.797 5.100 50 10 JKGE CCCc1nn(Cc2ccccc2)c2c1[C@@H](c1c(OC)ccc3ccccc13)C(C#N)=C(N)O2 1865687914 CYVWWVVHQMDHMU-RUZDIDTESA-N 450.542 5.264 50 10 JKGE CCCOc1cccc([C@H]2C(C#N)=C(N)Oc3c2c(C(F)(F)F)nn3Cc2ccc(C)cc2)c1 1865693674 LQVWOKVHGDRDGC-FQEVSTJZSA-N 468.479 5.266 50 10 JKGE CCc1nn(-c2cccc3ccccc23)c2c1[C@H](c1ccc(Cl)c([N+](=O)[O-])c1)C(C#N)=C(N)O2 1865705662 BISXJVCYUSCPAX-JOCHJYFZSA-N 471.904 5.368 50 10 JKGE N#CC1=C(N)Oc2c(c(-c3ccccc3)nn2-c2ccccc2Cl)[C@@H]1c1cccc([N+](=O)[O-])c1 1865705725 DDGZXPZDGJUEEV-OAQYLSRUSA-N 469.888 5.319 50 10 JKGE Cc1ccc([C@H](C(=O)N[C@@H](Cc2ccc(F)cc2)C(=O)Nc2ccc(SC#N)cc2)C(C)C)cc1 1866951739 VSXLFHMHKLNRRU-IZZNHLLZSA-N 489.616 5.813 50 10 JKGE CCCc1nc(Nc2ccc(SC#N)cc2)cc(N2CCC[C@H]2c2ccc(C(C)(C)C)cc2)n1 1868388337 IUPXLWNQMALVSN-DEOSSOPVSA-N 471.674 7.385 50 10 JKGE N#C/C(=C(/O)COc1cc(Cl)ccc1Cl)c1nc(-c2ccc(Cl)cc2Cl)cs1 1872745115 WRFDXDMWGJDWCL-LGMDPLHJSA-N 472.180 7.295 50 10 JKGE CC(=O)Nc1ccc(C/C(O)=C(\C#N)c2nc(-c3ccc(Oc4ccccc4)cc3)cs2)cc1 1872753917 UOIOGMUJDHPFTP-LCUIJRPUSA-N 467.550 6.596 50 10 JKGE Cc1cc(C)c(C)c(-c2csc(/C(C#N)=C(\O)[C@H](CC(C)C)N3C(=O)c4ccccc4C3=O)n2)c1C 1872754099 CALWXXBOFFAYOH-XAXNVBFGSA-N 499.636 6.547 50 10 JKGE COc1cc(Cl)c(C)cc1-c1csc(/C(C#N)=C(\O)[C@H](C)Oc2ccc(C(C)C)cc2)n1 1872756966 KMLOWYBBXDLPSF-GFDWPABASA-N 469.006 7.164 50 10 JKGE COc1c(C)cc(Cl)cc1-c1csc(/C(C#N)=C(\O)c2ccc(OCC(C)C)cc2)n1 1872757308 ZQAPMKZPLADXOJ-XDOYNYLZSA-N 454.979 6.765 50 10 JKGE COc1ccc(Cl)cc1-c1csc(/C(C#N)=C(\O)Cc2ccc(OCc3ccccc3)cc2)n1 1872758796 QRXBLHINMLXLGX-BZZOAKBMSA-N 488.996 7.086 50 10 JKGE CCCCc1ccc(-c2csc(/C(C#N)=C/c3cc(Br)cc(OC)c3O)n2)cc1 1872780945 PXHYLQXBKBMWCD-VCHYOVAHSA-N 469.404 6.694 50 10 JKGE CCCCCCCOc1ccc(-c2csc(/C(C#N)=C/c3ccc(C(=O)OC)cc3)n2)cc1 1872791790 SAUBSHMMCQZXFJ-HAVVHWLPSA-N 460.599 7.010 50 10 JKGE CCOc1cc(/C=C(\C#N)c2nc(-c3ccc(Cl)s3)cs2)ccc1OCc1ccc(C)cc1 1872794476 DGUWZJSFXLTKNW-UDWIEESQSA-N 493.053 7.875 50 10 JKGE O=C(N[C@H](CBr)[C@H]1CC=CCC1)c1scc(Br)c1Br 1885116485 WTRCHHMDJXZPFE-WCBMZHEXSA-N 472.040 5.123 50 10 JKGE C[C@@H](CBr)N(Cc1ccccc1)C(=O)c1ccc(Br)cc1Br 1914230558 WTXVDBYWWQPIOF-LBPRGKRZSA-N 490.033 5.637 50 10 JKGE C[C@H](CCCl)N(Cc1ccccc1)C(=O)c1cc(Br)sc1Br 1915079971 HRLIZBHFIHJNII-LLVKDONJSA-N 465.638 5.933 50 10 JKGE O=S(=O)(c1ccc(Cl)c(Cl)c1)N(Cc1ccccc1)C1(CBr)CCC1 1915750200 FMLXYUDCFFEZTK-UHFFFAOYSA-N 463.224 5.502 50 10 JKGE O=C(c1cccc(F)c1Br)N(Cc1ccccc1)C1(CBr)CCC1 1915756327 IHISSYLHWVUAQU-UHFFFAOYSA-N 455.165 5.548 50 10 JKGE Cc1sc(C)c(S(=O)(=O)N(Cc2ccccc2)C2(CCl)CCC2)c1Br 1915767773 BJOUPUWNOBKKGY-UHFFFAOYSA-N 462.862 5.480 50 10 JKGE Cc1c(Br)sc([C@H](Br)C2[C@H]3[C@H]4CC[C@@H](C4)[C@H]23)c1Br 1922945373 FSHLKVJLBBDMRG-LQZQZKBYSA-N 455.053 6.310 50 10 JKGE Cc1cccc([C@@H](Cl)c2c(Br)sc(Br)c2Cl)c1Br 1923038736 KMKLLBZYNHZTRH-SECBINFHSA-N 493.873 7.326 50 10 JKGE Cl[C@@H](Cc1ccncc1Br)c1cccc(Br)c1Br 1924016002 JDDWOUXLRJMGCA-LBPRGKRZSA-N 454.387 5.892 50 10 JKGE Cn1nc([C@H](Cl)c2c(Br)sc(Br)c2Br)cc1Cl 1924569429 VJXZTCIRDLWTOA-ZETCQYMHSA-N 483.838 5.751 50 10 JKGE Clc1sc(Br)c(Cl)c1[C@H](Br)c1ccoc1Br 1925569340 SEIDIZLPARZSCX-RXMQYKEDSA-N 469.807 6.657 50 10 JKGE Clc1cc(Br)c([C@H](Br)c2sncc2Br)s1 1933601256 ZAKZMHWLFXIADC-LURJTMIESA-N 452.418 5.867 50 10 JKGE Cc1cc(Br)c([C@@H](Br)c2cscc2OCc2ccccc2)s1 1934837780 DACZBNSVBGAGAT-INIZCTEOSA-N 458.240 6.944 50 10 JKGE Clc1cc(Br)c([C@H](Br)Cc2ccccc2Br)s1 1948826645 TWQYSFVJHQSJGW-SECBINFHSA-N 459.428 6.605 50 10 JKGE Clc1nc(Cl)n(CCCN(Cc2ccccc2)Cc2ccccc2)c1CBr 1954263533 AEIYISCBIDVHMR-UHFFFAOYSA-N 467.238 6.177 50 10 JKGE Cc1cc(Br)c(F)c([C@@H](Br)c2sc(Cl)cc2Br)c1 2036945379 YKVRWAAAGCHWNJ-SNVBAGLBSA-N 477.418 6.858 50 10 JKGE N#CC(=CNc1cc(C(F)(F)F)ccc1Br)S(=O)(=O)c1ccc(Cl)cc1 2041576656 XSAGVCDSRHJCDZ-UHFFFAOYSA-N 465.678 5.372 50 10 JKGE Cc1c(Br)sc([C@H](Br)C2CC(CC3CC3)C2)c1Br 2050217665 VJQAUGWMJQHVSA-RTYFJBAXSA-N 457.069 6.844 50 10 JKGE CN1C(=C(C#N)C(=O)COC(=O)c2ccc(-c3cccc(C(F)(F)F)c3)o2)Sc2ccccc21 2053611069 FHMYXJXDRJDCPV-UHFFFAOYSA-N 484.455 5.669 50 10 JKGE CO[C@H]1C[C@H]([C@@H](Br)c2sc(Br)cc2Br)C[C@H]1OC 2054483671 TZPTWZWWKHISQQ-GPUHXXMPSA-N 463.029 5.149 50 10 JKGE FC(F)(F)c1ccc(Cn2nc(C3CCCC3)cc2CBr)cc1Br 2070081707 AEPPUFIGYONJCQ-UHFFFAOYSA-N 466.139 6.265 50 10 JKGE Cc1c(Br)sc([C@H](Br)[C@H]2C[C@@]23CCCOC3)c1Br 2077422493 IABGZYSHQBPMMG-ZDSQKVDBSA-N 459.041 5.834 50 10 JKGE Brc1cc([C@H](Br)C2C[C@H]3COC[C@H](C2)C3)c(Br)s1 2085744117 QCICODVLIJUDEI-YVZVNANGSA-N 459.041 5.772 50 10 JKGE FC1(F)CCN(Cc2cccc(Br)c2Br)C[C@H]1CBr 2092329271 UPCJMNKAUDGQQM-SNVBAGLBSA-N 461.970 5.064 50 10 JKGE Brc1cc([C@H](Br)[C@H]2CC3(CCCCC3)CO2)c(Br)s1 2109978343 DDUAHSSBLDNUJX-PWSUYJOCSA-N 473.068 6.449 50 10 JKGE Cc1cc(CN(C)c2ccc(CBr)c(Br)c2)sc1Br 2137588288 YUDXJDMMLCTRIM-UHFFFAOYSA-N 468.052 6.113 50 10 JKGE Cc1cc(Cl)c(Br)cc1[C@@H](Cl)c1ccc(F)cc1I 2137657090 RHFSMCSSECHDES-AWEZNQCLSA-N 473.938 6.483 50 10 JKGE CCCCCCCCC[C@H](Br)c1ccc(Br)cc1Br 2138851570 LAOTVPWQRWZIAL-HNNXBMFYSA-N 455.072 7.788 50 10 JKGE Fc1cc(Cl)c([C@@H](Cl)c2cc(Br)ccc2I)cc1Cl 2139424116 MQWWNCCGWBNOTR-CYBMUJFWSA-N 494.356 6.828 50 10 JKGE FC(F)(F)C(F)(F)CC(CBr)(CBr)c1ccccc1Br 2145886301 SLKBGURVAGNBFY-UHFFFAOYSA-N 488.914 6.064 50 10 JKGE CCc1cccc(CBr)c1OCc1ccc(Br)cc1Br 2148685631 PIMNEQOHBFWKIK-UHFFFAOYSA-N 463.007 6.248 50 10 JKGE Clc1ccc(I)c(CN2CCC[C@]3(CBr)CCC[C@@H]23)c1 2165253099 WQQGFRZKMUPXOE-CVEARBPZSA-N 468.604 5.474 50 10 JKGE CC(C)CO[C@@H]1[C@H](Cl)C[C@H]1Oc1c(Br)cc(Br)cc1Br 2165550681 CLDQKSNEHGLCKJ-YRGRVCCFSA-N 491.445 5.774 50 10 JKGE CCOc1ccc(Br)cc1[C@H](Br)c1nn(C)c(Br)c1C 2168214618 BDAZMPUHMNNDSR-LBPRGKRZSA-N 466.999 5.137 50 10 JKGE COCCOc1ccc([C@H](Br)c2cc(Br)cs2)cc1Br 2172564428 IACGCEJYEGUGMS-AWEZNQCLSA-N 485.035 5.783 50 10 JKGE CC(C)(C)[C@H]1[C@@H](Br)CCN1C(=O)c1ccc(Br)cc1Br 2185098839 BPWUBLXPSZFIIE-WCQYABFASA-N 468.027 5.236 50 10 JKGE Clc1c(Br)sc(Br)c1[C@H](Cl)[C@H]1C[C@@H]1C1CCCCCC1 2199991673 VLGYMSUBGZNIQJ-JFGNBEQYSA-N 461.090 7.813 50 10 JKGE COc1cc(F)c(Cl)cc1[C@@H](Br)c1ccc(I)c(Cl)c1 2207362741 NISLPBPZNYKRQB-AWEZNQCLSA-N 489.937 6.230 50 10 JKGE Fc1cc(Br)c(Br)cc1[C@@H](Br)c1ccsc1Cl 2213488870 IMNGXQLJSDFVAN-JTQLQIEISA-N 463.391 6.550 50 10 JKGE Brc1cc(Br)c([C@@H](Br)[C@@H]2C[C@H]3CCC[C@H](C3)C2)s1 2218349965 ORFGEDMAOHKTGH-WTBMIXGQSA-N 457.069 6.926 50 10 JKGE Cc1ccccc1[C@H](Cl)Cc1sc(Br)c(Br)c1Br 2222450016 RWIGLIFUGYMGEG-SECBINFHSA-N 473.455 6.867 50 10 JKGE CS(=O)(=O)C1([C@@H](Br)c2c(Br)cc(Cl)c(Cl)c2Cl)CC1 2224303761 BIDODZFOWSKPMF-JTQLQIEISA-N 471.425 5.423 50 10 JKGE CCCOC1([C@H](Br)c2c(Br)cc(Cl)c(Cl)c2Cl)CC1 2224304497 KANUETRIIAUWCI-GFCCVEGCSA-N 451.413 6.805 50 10 JKGE Cc1ccc([C@H](Cl)c2c(Br)cc(Cl)c(Cl)c2Cl)cc1Br 2232513263 QKKVNVNIKZNIGZ-LBPRGKRZSA-N 477.838 7.808 50 10 JKGE Cc1sc([C@@H](Br)c2cc3c(cc2Br)OCCO3)cc1Br 2234476164 WJBAUUVJMNMTSF-AWEZNQCLSA-N 483.019 5.837 50 10 JKGE Cc1ccc(I)c(-n2c(CCl)nc3c(Br)cccc32)c1 2240624815 CGXWCQLUCKRYTD-UHFFFAOYSA-N 461.528 5.440 50 10 JKGE O=C(c1cc(Br)sc1Br)N1[C@H](CBr)C[C@@H]2CCCC[C@@H]21 2240727735 BLAYLBCQKGKVIR-QXEWZRGKSA-N 486.067 5.441 50 10 JKGE CCc1cc([C@H](Br)c2c(C)nsc2Br)sc1Br 2248004839 RXLIIXQZLLHPHM-VIFPVBQESA-N 460.054 6.085 50 10 JKGE Clc1ccc([C@@H](Br)c2ccc(Cl)c(I)c2)c(Cl)c1 2256339448 SMBCQYNUMDYYDP-ZDUSSCGKSA-N 476.366 6.736 50 10 JKGE CCCCc1ccc([C@H](Cl)c2cc(Br)ccc2I)s1 2264366369 HPVFCTUEIFESDX-OAHLLOKOSA-N 469.613 6.786 50 10 JKGE CC(C)c1cc(Br)cc([C@H](Br)c2sc(Cl)cc2Br)c1 2265950528 IBNWABGEYGXDLN-ZDUSSCGKSA-N 487.482 7.534 50 10 JKGE COc1cc(C)c(Br)c(C)c1[C@@H](Br)c1cc(Br)cs1 2269599648 XMACDKNUZVWXEA-AWEZNQCLSA-N 469.036 6.383 50 10 JKGE COC1([C@@H](Br)Cc2cc(Br)cc(Br)c2)CC(CF)C1 2277955975 OENMABYWVHWJLN-AWAWDMARSA-N 458.991 5.282 50 10 JKGE COc1cc(OC)c([C@H](Br)c2ccc(I)cc2)cc1Cl 2279143906 IIZPJBOTDDLWIP-OAHLLOKOSA-N 467.528 5.446 50 10 JKGE Fc1cc(Cl)c([C@@H](Br)c2cc(F)c(Br)cc2Cl)cc1Cl 2282906632 DSBSGNJUNNYIIR-CYBMUJFWSA-N 465.346 7.172 50 10 JKGE Cc1c(CBr)cccc1NC(=O)c1ccc(I)c(Cl)c1 2283558336 IDIYJLBLJVYUCV-UHFFFAOYSA-N 464.528 5.400 50 10 JKGE Fc1cc(Br)c(F)c(Br)c1[C@H](Br)[C@@H]1COCCC1(F)F 2288353485 JNMAYQLKTFUOGB-SSDLBLMSSA-N 484.907 5.598 50 10 JKGE Cc1cccc(NC(=O)C(C#N)=Cc2cc(Cl)ccc2OCc2ccc(C(=O)O)cc2)c1C 2293420536 LCCRBAFLZQWKLA-UHFFFAOYSA-N 460.917 5.780 50 10 JKGE Cc1ccc(-n2c(SCC(=O)NN=CC=Cc3ccco3)nnc2-c2ccc(C(C)(C)C)cc2)cc1 2293760697 NYUQWSDSZHWILY-UHFFFAOYSA-N 499.640 6.041 50 10 JKGE CCn1ncc(Br)c1[C@@H](Br)c1cc(Cl)cc(Br)c1OC 2295359742 JGMCDDOWMSPFED-NSHDSACASA-N 487.417 5.574 50 10 JKGE COc1ccc(C=C(C#N)C(=O)N2N=C3C(=Cc4ccccc4)CCC[C@H]3[C@@H]2c2ccccc2)cc1 2296793014 WBSOGOCKXCLARZ-DGPALRBDSA-N 473.576 6.425 50 10 JKGE COc1ccc(C=C(C#N)c2nc3ccc(C)cc3[nH]2)cc1Oc1ccc(C(F)(F)F)cc1[N+](=O)[O-] 2297296073 XARWCCSQQFEXSE-UHFFFAOYSA-N 494.429 6.663 50 10 JKGE CCc1cccc(C)c1NC(SCc1cccc(F)c1)=C(C#N)S(=O)(=O)c1ccccc1 2297350129 YFGMPTMJCRSDJH-UHFFFAOYSA-N 466.603 6.208 50 10 JKGE CO[C@@H]1C[C@]2([C@@H](Br)c3ccc(OCc4ccccc4)cc3Br)C[C@@H]12 2299488491 HEOCAWTVDROYIB-OJAHFUOMSA-N 452.186 5.889 50 10 JKGE Brc1cc(OCc2ccccc2)ccc1[C@H](Br)C[C@]12CCC[C@H]1C2 2299491925 AZANYTUPIRQDBB-ZLGUVYLKSA-N 450.214 7.044 50 10 JKGE CCCc1sc(Br)cc1[C@@H](Br)c1cc(Br)cs1 2300651157 UVDDESDGWROGOM-GFCCVEGCSA-N 459.066 6.771 50 10 JKGE COC(=O)c1ccc(Cl)c(-c2ccc(C=C(C#N)C(=O)Nc3cccc(Cl)c3Cl)o2)c1 2313570959 KDNXAKUCZQPRII-UHFFFAOYSA-N 475.715 6.239 50 10 JKGE FC1(F)CCOC[C@H]1[C@H](Br)c1cc(Br)ccc1OCc1ccccc1 2314462932 WKUFGMOVZVBQHH-FUHWJXTLSA-N 476.155 6.136 50 10 JKGE N#CC(=Cc1cn(-c2ccccc2)nc1C12CC3CC(CC(C3)C1)C2)C(=O)NCc1ccco1 2314476419 OEAWYMBFYKMCKN-UHFFFAOYSA-N 452.558 5.156 50 10 JKGE COCc1csc([C@H](Br)c2ccc(OCc3ccccc3)cc2Br)c1 2314502371 IIZXMCYSAVGNOZ-HXUWFJFHSA-N 482.237 6.720 50 10 JKGE CCc1ccc(N2C(=O)[C@H](Cc3ccccc3)SC2=C(C#N)C(=O)Nc2ccccc2C)cc1 2314591908 HKGINZKTGAMBAF-VWLOTQADSA-N 467.594 5.622 50 10 JKGE Cc1ccc(C[C@H]2SC(=C(C#N)C(=O)N[C@@H](C)c3ccccc3)N(c3ccc(C)c(C)c3)C2=O)cc1 2314593282 KUGRWEINLJQQNO-WXVAWEFUSA-N 495.648 5.916 50 10 JKGE CC[C@H](C)N1C(=O)C(=Cc2ccc(OCc3ccc(Cl)cc3Cl)cc2)C(C)=C(C#N)C1=O 2314611278 SBUWHGVMBISXMU-HNNXBMFYSA-N 469.368 5.963 50 10 JKGE CCCCOc1ccc(C=C(C#N)C(=O)Nc2scc(-c3ccc(F)cc3)c2C(=O)OCC)cc1 2314737613 CIIBYMHGDYURQP-UHFFFAOYSA-N 492.572 6.455 50 10 JKGE C[C@@H]1CCC[C@H]1[C@H](Br)c1c(Cl)cc(Br)c(F)c1Br 2315450059 XVXKJFSMGICIIL-AMXGMDGSSA-N 463.410 6.876 50 10 JKGE N#CC(=Cc1ccc(OC(=O)C=Cc2ccc(Cl)cc2Cl)cc1)c1ccc(Cl)cc1 2320506386 IJYJPRKXFLRPLE-UHFFFAOYSA-N 454.740 7.330 50 10 JKGE COc1ccc(OC)c(C(C)=NNC(=O)c2ccc(-c3ccc(Cl)cc3Cl)nc2C)c1 2321275960 QRDATHMXWCXEOU-UHFFFAOYSA-N 458.345 5.535 50 10 JKGE CCCOc1c(Br)cc(C=NNC(=O)Nc2cccc(Cl)c2)cc1OCC 2323831847 KFVGHSUFOSZPNH-UHFFFAOYSA-N 454.752 5.446 50 10 JKGE Cc1ccc2nc(-c3ccc(NC=C(C#N)C(=O)N4CCC(Cc5ccccc5)CC4)cc3)sc2c1 2324765446 IRDXTQFONVJTOX-UHFFFAOYSA-N 492.648 6.572 50 10 JKGE CC(C)(C)c1ccc(C(=O)NCC(O)=C(C#N)c2nc(-c3cccc(Cl)c3)cs2)cc1 2331293876 NAZPBHPQKFFWLD-UHFFFAOYSA-N 451.979 5.984 50 10 JKGE CCOc1ccc(-c2csc(C(C#N)=C(O)[C@@H](C)Oc3ccc(C(C)C)cc3)n2)c(OCC)c1 2331386601 RKUATGBKSWVVFC-GOSISDBHSA-N 478.614 6.991 50 10 JKGE CCN(Cc1ccccc1)c1ccc(C=C(C#N)c2nc(-c3ccc4c(c3)CCCC4)cs2)cc1 2331416551 JHFKCYHQWZUWQX-UHFFFAOYSA-N 475.661 7.780 50 10 JKGE COc1cc(C=C(C#N)c2nc(-c3ccc4c(c3)CCCC4)cs2)cc(Br)c1O 2331417068 YZYLTRUUYPDKIK-UHFFFAOYSA-N 467.388 6.230 50 10 JKGE COc1ccccc1C[C@@H](Br)c1ccc(OCc2ccccc2)cc1Br 2336084902 YDQCDJBOLUDFIV-HXUWFJFHSA-N 476.208 6.715 50 10 JKGE Cc1cc([C@H](Br)c2c(C)cc(Br)c(F)c2Br)sc1Cl 2339654354 SBKIEGRFOFVNOA-JTQLQIEISA-N 491.445 7.167 50 10 JKGE Cc1cc(Br)c(F)c(Br)c1[C@@H](Br)C1(C)CCOCC1 2339655717 GPJSEXNWVXVYSV-CYBMUJFWSA-N 458.991 5.912 50 10 JKGE COc1ccc([C@@H](Br)c2ccc(Cl)cc2I)c(C)c1 2340063519 LCQAVRQVRDMHMN-OAHLLOKOSA-N 451.529 5.746 50 10 JKGE C=CC[C@]1(CBr)CCN(Cc2cc(I)ccc2Cl)C1 2352430918 AFKPPJIYQWOXPK-OAHLLOKOSA-N 454.577 5.108 50 10 JKGE COc1c(F)c(F)cc([C@H](Br)c2sc(Br)cc2Br)c1F 2361165278 IOYFIMNWLLRESM-QMMMGPOBSA-N 494.952 6.183 50 10 JKGE COc1c(Br)cc(C)c([C@H](Br)C[C@H]2CC[C@H](C)O2)c1Br 2365216549 VMMIZRIBOSGCMX-HBNTYKKESA-N 471.027 5.922 50 10 JKGE COc1cc(Cl)c(CBr)c(Oc2cc(Br)cc(Br)c2)c1 2365790544 OLDJHKJJPWJHQZ-UHFFFAOYSA-N 485.397 6.561 50 10 JKGE C[C@@H](Br)C[C@@H]1CCCCCN1Cc1ccc(Cl)cc1I 2366738560 NLIAYJWAMOIRQM-DOMZBBRYSA-N 470.620 5.863 50 10 JKGE C[C@@H](Br)C[C@H]1CCCCCN1Cc1cc(I)ccc1Cl 2380516190 ZIZFVXAFXYMNRH-IUODEOHRSA-N 470.620 5.863 50 10 JKGE 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 5766630 BCPWMPCOEAOEDD-DAGZTTQHSA-N 481.416 6.082 50 10 JKGE CSc1sc(C)cc1[C@@H]1C(C#N)=C(N)N(c2ccccc2C)C2=C1C(=O)C[C@H](c1ccccc1)C2 9982503 GHLNRGIZCWMQEN-FQRUVTKNSA-N 497.689 6.785 50 10 JKGE O=C(COc1ccc(Br)cc1Cl)N/N=C/c1cccc(OCc2ccccc2)c1 13977858 IFPKBMYGSNNKEF-DHRITJCHSA-N 473.754 5.211 50 10 JKGE CCOc1cc(/C=C(/C#N)C(=O)NCc2ccccc2)cc(Cl)c1OCc1ccc(C(=O)O)cc1 33668864 CDFVQDPXAUASER-UUYOSTAYSA-N 490.943 5.239 50 10 JKGE CC1=C(C#N)C(=O)N(Cc2ccco2)C(=O)/C1=C/c1cn(-c2ccccc2)nc1-c1ccc(C)c(F)c1 38606855 GLPYQTBWVJCROQ-ZMOGYAJESA-N 492.510 5.372 50 10 JKGE CCCOc1ccc(C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@@H]3c2ccccc2Cl)cc1 38651031 CHRNLMIJCSIJIP-XMMPIXPASA-N 460.917 5.566 50 10 JKGE CCCOc1ccccc1[C@@H]1C(C#N)=C(N)Oc2cc(OC(=O)[C@@H](C)Oc3ccc(CC)cc3)ccc21 38681799 ILRGZLIDJASHOS-GDJIYFAZSA-N 498.579 5.629 50 10 JKGE CCCCCCOc1ccc(/C=C(\C#N)C(=O)Nc2nc(-c3ccc(CC)cc3)cs2)cc1OC 40927087 KVJJDBLODVLKFV-XQNSMLJCSA-N 489.641 6.886 50 10 JKGE COC(=O)c1cc(NC(=O)COc2ccc(/C=C(/C#N)c3nc4ccccc4[nH]3)cc2)ccc1Cl 50664822 TUQBFFJURXAVBV-ATVHPVEESA-N 486.915 5.085 50 10 JKGE Cc1ccc(NC(=O)/C(C#N)=C\c2ccc(Oc3ccc([N+](=O)[O-])cc3C#N)cc2)c([N+](=O)[O-])c1 98065338 ZSRTWSOLEBAJMQ-WQRHYEAKSA-N 469.413 5.021 50 10 JKGE CCOc1cc(/C=C(/C#N)C(=O)Nc2nc3ccccc3s2)ccc1OCCOc1ccccc1C 102444081 SGAASYVZBWSGDW-PGMHBOJBSA-N 499.592 6.007 50 10 JKGE C[C@H](Cl)c1nc2cc(Cl)c(Cl)cc2n1-c1ccc(I)cc1 125169204 MOCFGHCUJAXZTP-QMMMGPOBSA-N 451.522 6.237 50 10 JKGE COc1c(C)cc(Br)c(C)c1[C@@H](Br)c1ccc(C)c(Br)c1 125711738 KQFIFCVKRQEBMI-INIZCTEOSA-N 477.034 6.630 50 10 JKGE Cc1cc(Br)c([C@H](Cl)c2cc(F)cc(Br)c2)cc1Br 128723135 RIAWMHACKDNSNP-CQSZACIVSA-N 471.389 6.750 50 10 JKGE Cc1cc(Br)c([C@@H](Br)c2ccc(Cl)c(Cl)c2)cc1Br 128751076 UIBRCGPRIDYPJB-AWEZNQCLSA-N 487.844 7.311 50 10 JKGE Cc1cc(C)c(C)c([C@@H](Br)c2cc(Br)ccc2Br)c1C 161084015 OZRSWMQAKJDTTM-KRWDZBQOSA-N 461.035 6.930 50 10 JKGE CCCOc1ccc(/C=N\NC(=O)c2ccc3[nH]c4c(c3c2)CCCC4)cc1Br 169890131 KTWGIOQDWJAXSB-QFEZKATASA-N 454.368 5.362 50 10 JKGE N#C/C(=C/c1cccc(/C=C(/C#N)c2ccc(C(F)(F)F)cn2)c1)c1ccc(C(F)(F)F)cn1 210381377 SLSPGOOOMKULKW-XFQWXJFMSA-N 470.376 6.643 50 10 JKGE Clc1sc([C@@H](Br)c2cccc(I)c2)cc1Br 227845463 FIBSBCZMKFHFSM-JTQLQIEISA-N 492.401 6.253 50 10 JKGE CCCOc1ccc([C@H](Br)c2cccc(Br)c2C)cc1Br 229007651 LHWCCMLIGOLHIA-KRWDZBQOSA-N 477.034 6.793 50 10 JKGE C[C@@H]1CCCC[C@H]1NC(=O)[C@H](c1ccc(Cl)cc1)N(CCc1ccccc1)C(=O)CCl 230274993 CEMAYZVIVXQAJG-XANCMCCPSA-N 461.433 5.386 50 10 JKGE COc1cc(F)c([C@H](Br)c2ccc(I)c(Cl)c2)c(F)c1 232342405 URIJQVARSWBDQG-CQSZACIVSA-N 473.482 5.716 50 10 JKGE Brc1ccc(I)cc1[C@H](Br)Cc1ccncc1 232479006 UKBTWGLUXLLKDY-CYBMUJFWSA-N 466.942 5.127 50 10 JKGE CN(C(=O)c1cc(Br)sc1Br)[C@@H]1CCCC[C@@H]1Br 234308171 MNSMLEYZKYGJKK-DTWKUNHWSA-N 460.029 5.051 50 10 JKGE COc1cc(F)c(Br)cc1[C@H](Br)c1ccc(Br)c(F)c1 234913583 IAYBSHUITLCPGW-CQSZACIVSA-N 470.933 5.983 50 10 JKGE Clc1cc2c(c([C@H](Br)c3ccc(Br)cc3Br)c1)OCC2 236084307 ZOHUWLPPNAUDGU-CQSZACIVSA-N 481.409 6.284 50 10 JKGE Cc1cc(C=NNC(=O)c2ccccc2Br)c(C)n1-c1cccc(C(F)(F)F)c1 252467612 VNHXDIWIBDUXPY-UHFFFAOYSA-N 464.285 5.639 50 10 JKGE N#Cc1cn(CC(=O)NN=Cc2cn(Cc3cccc4ccccc34)c3ccccc23)c2ccccc12 252610532 ICDBXWMLSFEGDB-UHFFFAOYSA-N 481.559 5.819 50 10 JKGE CC(=NNC(=O)[C@H]1C[C@H]1c1ccccc1)c1ccc(NC(=O)c2ccc(Cl)cc2Cl)cc1 254292926 VCWXLGAMONAJQH-VXKWHMMOSA-N 466.368 5.890 50 10 JKGE CCCCOc1cccc(-c2cc(C(=O)NN=Cc3ccc(OC)c(C)c3OC)c3ccccc3n2)c1 254621991 AGNJDTCPHINPQK-UHFFFAOYSA-N 497.595 6.170 50 10 JKGE COc1ccc(C(=O)Oc2cccc(C=NNC(=O)c3ccc(OCc4ccc(C)cc4)cc3)c2)cc1 254668986 KCCTWKZYGIJQLJ-UHFFFAOYSA-N 494.547 5.566 50 10 JKGE O=C(NN=Cc1c[nH]nc1-c1ccccc1)c1sc2cccc(Br)c2c1Cl 254746332 BEOZPVXQJRMGKV-UHFFFAOYSA-N 459.756 5.471 50 10 JKGE C[C@@H](Cl)c1nc2cc(I)ccc2n1[C@@H]1CCN(Cc2ccccc2)C1 310624263 CICQWYQAJHNUNN-RHSMWYFYSA-N 465.766 5.388 50 10 JKGE Br[C@H](CC[C@H]1CCCCO1)c1cc(I)cc2c1OCC2 312260430 DUUOOMBMZTVMNG-UKRRQHHQSA-N 451.142 5.011 50 10 JKGE Clc1ccc(Br)c(C[C@@H](CBr)c2ccccc2Br)c1 388775596 PRCROWZTCWMBNU-NSHDSACASA-N 467.426 6.586 50 10 JKGE Fc1cc(OCc2cc(Cl)ccc2I)ccc1CBr 405549737 YLBBVJTWQDNUQZ-UHFFFAOYSA-N 455.492 5.558 50 10 JKGE BrCC(CBr)(Cc1ccccc1)Cc1ccncc1Br 702864889 NCDRXMWIAJPTSS-UHFFFAOYSA-N 462.023 5.406 50 10 JKGE Brc1ccc(Br)c([C@H](Br)c2ncsc2Br)c1 704963272 KXOKBNKOLIVSCK-QMMMGPOBSA-N 490.840 5.915 50 10 JKGE Clc1cccc(COc2ccc(CBr)cc2Br)c1Br 719384560 RAJXUMWOCXQACC-UHFFFAOYSA-N 469.398 6.339 50 10 JKGE C=CCOc1c(Cl)cc(C=NNC(=O)c2cc3cc(Br)ccc3o2)cc1OC 1084309822 XPPPRDPYRXCUDP-UHFFFAOYSA-N 463.715 5.186 50 10 JKGE O=C(Cc1c[nH]c2ccccc12)NN=Cc1cc(OCc2ccc(F)cc2)ccc1Br 1084434877 VWFXIXKATPPTIF-UHFFFAOYSA-N 480.337 5.341 50 10 JKGE COc1ccc(C(=O)NN=C(C)c2ccc3c(c2)[C@@H]2C=CC[C@@H]2[C@@H](c2ccccc2)N3)cc1OC 1565518691 CAZZKCDHLCNPCX-AWVRMFGXSA-N 467.569 5.684 50 10 JKGE COc1ccccc1/C(C#N)=C/c1ccc(OC(=O)[C@@H](C)Oc2ccc(Cl)cc2Cl)cc1 1615099412 WRAOXKCWKIPISQ-APVMCDBPSA-N 468.336 6.439 50 10 JKGE Cc1ccccc1C(=O)NN=C1CCCc2oc(C(=O)Oc3cc(C)c(Cl)c(C)c3)c(C)c21 1772743560 FVPHVXFRTRQNOR-UHFFFAOYSA-N 464.949 5.856 50 10 JKGE CC(C)c1cc(Br)ccc1OCC(=O)NN=Cc1ccccc1OCc1ccccc1 1772755757 QPABIZSDTWDPJC-UHFFFAOYSA-N 481.390 5.681 50 10 JKGE 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)C3=C[C@H](Cl)[C@@]2(O)C1 1848357718 JIXRSUPPSOBQSS-QGUVRDBRSA-N 491.156 7.314 50 10 JKGE Cc1cccc(C(C)C)c1NC(=O)COc1cccnc1NC(=O)Oc1ccc([N+](=O)[O-])cc1 1858683810 GFUYYHCSEVEMMJ-UHFFFAOYSA-N 464.478 5.050 50 10 JKGE COc1ccc([C@H]2C(C#N)=C(N)Oc3c2c(-c2ccccc2)nn3Cc2ccc(Cl)cc2)cc1O 1865682581 RWJLXDXWXGLYFH-QHCPKHFHSA-N 484.943 5.184 50 10 JKGE CCCc1nn(Cc2ccc(F)cc2)c2c1[C@H](c1cccc(Br)c1)C(C#N)=C(N)O2 1865683247 BJDUJTXCCQEHLR-HXUWFJFHSA-N 467.342 5.004 50 10 JKGE Cc1ccc(C)c(Cn2nc(-c3ccccc3)c3c2OC(N)=C(C#N)[C@@H]3c2ccccc2Cl)c1 1865685272 HMCHXIARKIIDGA-DEOSSOPVSA-N 466.972 6.087 50 10 JKGE CC(C)c1ccc([C@@H]2C(C#N)=C(N)Oc3c2c(C(F)(F)F)nn3-c2cccc3ccccc23)cc1 1865685662 LEVBBCDINUTDQM-JOCHJYFZSA-N 474.486 6.386 50 10 JKGE CCCOc1ccc([C@H]2C(C#N)=C(N)Oc3c2c(C(F)(F)F)nn3-c2ccccc2Cl)cc1 1865694659 YTUTVCXWASVFBK-SFHVURJKSA-N 474.870 5.551 50 10 JKGE CCCc1nn(Cc2c(F)cccc2Cl)c2c1[C@H](c1ccc(OCC)c(OC)c1)C(C#N)=C(N)O2 1865696219 YOWUAVZYEKWHFJ-HSZRJFAPSA-N 496.970 5.302 50 10 JKGE Cc1ccsc1[C@H]1C(C#N)=C(N)Oc2c1c(-c1ccccc1)nn2Cc1c(F)cccc1Cl 1865699172 MVHOROVLEHYXSW-FQEVSTJZSA-N 476.964 5.979 50 10 JKGE CCN(CC)c1ccc([C@H]2C(C#N)=C(N)Oc3c2c(-c2ccccc2)nn3Cc2cccc(F)c2)cc1 1865702209 PINFUDAUPWIJER-SANMLTNESA-N 493.586 5.802 50 10 JKGE Cc1cccc([C@@H]2C(C#N)=C(N)Oc3c2c(C(F)(F)F)nn3-c2ccc(Cl)c(Cl)c2)c1 1865710591 CBLSXQDOOBVTKM-MRXNPFEDSA-N 465.262 5.725 50 10 JKGE CC[C@@H](NC(=O)C[C@H](c1ccccc1)c1ccc(F)c(F)c1)C(=O)Nc1ccc(SC#N)cc1 1867132217 PWRRBAOIWLGDKB-ZJSXRUAMSA-N 479.552 5.593 50 10 JKGE CC(C)(C)c1nc(Nc2ccc(SC#N)cc2)cc(N2CCC(N3CCCCCC3)CC2)n1 1868342074 JLXPCBGOOWQUQQ-UHFFFAOYSA-N 464.683 5.936 50 10 JKGE COc1ccccc1-c1c(C(F)(F)F)oc2cc(OCc3ccc(CCl)cc3)ccc2c1=O 1871437771 BLQUMZFGBBBQJQ-UHFFFAOYSA-N 474.862 6.805 50 10 JKGE CCOc1cc(/C=C(\C#N)c2ccc(C(=O)OC(C)C)o2)ccc1OCc1cccc(Cl)c1 1872728706 OXPJUDLWPFDQLS-UDWIEESQSA-N 465.933 6.540 50 10 JKGE CN(C)c1ccc(/C(O)=C(\C#N)c2nc(-c3ccc(Cl)c(Cl)c3)cs2)cc1[N+](=O)[O-] 1872749483 SWBUWECVPSBXRO-UYRXBGFRSA-N 461.330 6.041 50 10 JKGE N#C/C(=C(O)\C(=C/c1ccccc1)c1ccccc1)c1nc(-c2ccc3c(c2)OCO3)cs1 1872752693 ODURCRAFYRAWLD-LBQVLEONSA-N 450.519 6.572 50 10 JKGE COc1c(Cl)cc(Cl)cc1-c1csc(/C(C#N)=C(\O)c2cccc(Oc3ccccc3)c2)n1 1872754368 PKDMDQDAWSPQJI-ATJXCDBQSA-N 495.387 7.868 50 10 JKGE CCOc1ccc(OCC)c(-c2csc(/C(C#N)=C(\O)c3ccc(Cl)c(Cl)c3)n2)c1 1872754630 BQTQQHFUXXFZLI-PGMHBOJBSA-N 461.370 6.864 50 10 JKGE CCCc1ccc(OC/C(O)=C(\C#N)c2nc(-c3cc(Cl)c(OC)c(Cl)c3)cs2)cc1 1872755938 MODWOEBEBDIFEV-FXBPSFAMSA-N 475.397 6.950 50 10 JKGE COc1cccc(-c2csc(/C(C#N)=C/c3ccccc3OCc3ccc(Cl)cc3)n2)c1 1872781823 UHRXQRKJKAUOFU-FYJGNVAPSA-N 458.970 7.115 50 10 JKGE CCCCCOc1c(Br)cc(/C=C(\C#N)c2nc(-c3ccccc3)cs2)cc1OC 1872790297 YCGPMELNMYJLLZ-XDHOZWIPSA-N 483.431 7.214 50 10 JKGE CCOc1cc(/C=C(\C#N)c2nc(-c3cc(OC)ccc3OC)cs2)ccc1OCc1ccccc1 1872791699 PDOWTDJKWYQAPA-HYARGMPZSA-N 498.604 6.869 50 10 JKGE CSCC[C@H](/C(O)=C(\C#N)c1nc(-c2ccc(F)c(C)c2)cs1)N1C(=O)c2ccccc2C1=O 1873920468 GIQCZOLWXICZSR-QUPCICMCSA-N 493.585 5.468 50 10 JKGE BrC[C@H](C1CC1)N(Cc1ccccc1)Cc1sccc1I 1888202808 BNJUEZVUXSGHIF-MRXNPFEDSA-N 476.221 5.528 50 10 JKGE CCCCCc1ccc([C@@H](Br)c2cnn(C)c2I)s1 1889050252 ZDEJUNCRXNEUBS-ZDUSSCGKSA-N 453.187 5.303 50 10 JKGE CC1(C)[C@@H](n2c(CCl)nc3c(Br)cc(F)cc32)C[C@H]1OCc1ccccc1 1912665073 RUCZPWNIYPNARO-ZWKOTPCHSA-N 451.767 6.233 50 10 JKGE C[C@H](CCBr)N(Cc1ccccc1)S(=O)(=O)c1cc(Cl)ccc1Cl 1915095206 SSJHHZFQFUUZCZ-CYBMUJFWSA-N 451.213 5.358 50 10 JKGE CC(C)[C@H](CCl)N(Cc1ccccc1)C(=O)c1csc(Br)c1Br 1915279140 BRYIYRUTWKHFOR-AWEZNQCLSA-N 479.665 6.179 50 10 JKGE Cc1c(Br)sc([C@H](Br)C(C)(C)C(F)(F)F)c1Br 1922906620 LLGDJDMLRUGJKG-ZETCQYMHSA-N 458.963 6.606 50 10 JKGE Clc1c(Br)sc(Br)c1[C@H](Cl)c1csc2ccccc12 1923065869 IIBBTYXKYRCIIS-SNVBAGLBSA-N 457.039 7.469 50 10 JKGE Cl[C@@H](c1c(Br)sc(Br)c1Br)[C@H]1CC2CCC1CC2 1924591481 RVBINQPRFYNHTO-MEZNKKBTSA-N 477.487 7.142 50 10 JKGE Cl[C@@H](c1c(Br)sc(Br)c1Br)[C@@H]1CCC2(CC2)C1 1950247553 YAZVGINAKHVYEX-HZGVNTEJSA-N 463.460 6.896 50 10 JKGE O=C(O)CC[C@@H](CCCC[C@@H]1CCSS1)NC(=O)OCC1c2ccccc2-c2ccccc21 1951642822 BODAJCLNTJIMLC-RTBURBONSA-N 485.671 6.473 50 10 JKGE CCC(CBr)(CBr)Cc1ccc(I)c(Cl)c1 1995481904 OAMMJUULPCTPCZ-UHFFFAOYSA-N 480.409 5.673 50 10 JKGE Cc1nc(C[C@H](Br)c2scc(Br)c2Br)sc1C 2025982574 ZOSBKGLQAIEIMZ-ZETCQYMHSA-N 460.054 6.025 50 10 JKGE CCc1cc(Br)c([C@H](Br)c2ccc(F)c(Br)c2)s1 2029232647 KPVVVFVFRMECFJ-GFCCVEGCSA-N 457.000 6.459 50 10 JKGE Brc1cc(Br)c([C@H](Br)c2cc3c(s2)CCOC3)s1 2041523062 QKMPQGXUZXNDQN-LLVKDONJSA-N 473.049 5.892 50 10 JKGE Clc1cccc(Cl)c1C[C@H](Br)c1cccc(I)c1 2042853890 NYPRSRCXLFLTQF-LBPRGKRZSA-N 455.948 6.277 50 10 JKGE CC1(C)CCC[C@H]([C@H](Br)c2c(Br)sc(Br)c2Cl)C1 2049573213 GLZKSGJJMPAISL-CBAPKCEASA-N 479.503 7.579 50 10 JKGE Cc1c(Br)sc([C@@H](Br)C2C[C@@H]3CC[C@H](C2)O3)c1Br 2060982139 CWLDJYNNHYCAHQ-GCLMCXFESA-N 459.041 5.975 50 10 JKGE Fc1c(Cn2nc(CBr)c(Br)c2C(F)(F)F)cccc1C(F)(F)F 2079232102 NHHRPEWXJBANON-UHFFFAOYSA-N 484.007 5.766 50 10 JKGE Cc1cc(Cl)c([C@@H](Br)c2scc(Br)c2Br)cc1Cl 2081588182 DSHNOLOSTQJSAH-SNVBAGLBSA-N 493.873 7.373 50 10 JKGE CCc1nn(-c2ccc(Br)cc2CCl)c(CC)c1I 2093915679 LSHFGMRVAPVOTQ-UHFFFAOYSA-N 453.549 5.103 50 10 JKGE COc1ccc([C@H](Br)c2cc(Br)c(OC)s2)cc1Br 2095772382 DGHCOGNKNXDVQY-LBPRGKRZSA-N 471.008 5.775 50 10 JKGE COc1sc([C@@H](Br)c2cc(Cl)c(C)cc2Br)cc1Br 2095775198 OXNZIRNUAGGITN-LBPRGKRZSA-N 489.454 6.728 50 10 JKGE CC(C)(C)N1C[C@@H](Br)[C@H](Cc2ccc(Br)cc2Br)C1 2100732656 ZSGXYDWYEVAPCF-BXUZGUMPSA-N 454.044 5.248 50 10 JKGE COc1cc(Br)c(C)cc1[C@H](Br)c1scc(C)c1Br 2100808583 ICLISQJNLUCNQD-ZDUSSCGKSA-N 469.036 6.383 50 10 JKGE C[C@@]1([C@@H](Br)c2cc(Br)ccc2Br)CCCCC1(F)F 2111656890 MMUQSPRNMAJOMX-STQMWFEESA-N 460.982 6.863 50 10 JKGE C[C@H](Cl)c1nc2cc(Cl)c(Br)cc2n1[C@H](C)CCOCc1ccccc1 2112695954 KSPTULKIDBAVHD-KGLIPLIRSA-N 456.211 6.920 50 10 JKGE C[C@@H](c1ccncc1Br)[C@@H](Cl)c1cc(I)ccc1F 2113348193 GLMOUKXGFANFOC-RMLUDKJBSA-N 454.508 5.671 50 10 JKGE Fc1cccc(CC[C@H](Br)c2ccc(Br)cc2)c1Br 2113491196 MDIVNDMBSUYPHW-ZDUSSCGKSA-N 450.971 6.420 50 10 JKGE CC(C)(C)OC(=O)N1CCC[C@@](CI)(OC[C@H]2C[C@@H]2c2ccccc2)C1 2135987049 FQBFCYPPPVNPJK-OPYAIIAOSA-N 471.379 5.011 50 10 JKGE CSc1ccc([C@H](Br)c2ccc(Br)c(C)c2Br)cc1 2138853075 PEWIQOVVMOEOEA-HNNXBMFYSA-N 465.048 6.726 50 10 JKGE Cc1c(Br)sc([C@H](Br)[C@H]2C[C@H]3COC[C@H](C3)C2)c1Br 2141800458 RLOFGKIMOWYWMM-DTHBNOIPSA-N 473.068 6.080 50 10 JKGE COc1ccc(Br)cc1[C@H](Br)c1ccc(I)c(C)c1 2142140091 FQKXWWYNZOIUMG-OAHLLOKOSA-N 495.980 5.855 50 10 JKGE C[C@H](Cl)c1nc2cc(Br)c(Cl)cc2n1C1[C@@H]2CN(Cc3ccccc3)C[C@@H]12 2160084023 OXXGJAJNFYMHCM-NWANDNLSSA-N 465.222 6.055 50 10 JKGE CCOc1ccc([C@@H](Br)c2c(Cl)cccc2Br)c(Br)c1 2169465161 RVNRPZUIOTUQBF-OAHLLOKOSA-N 483.425 6.748 50 10 JKGE Cc1nc([C@@H](Br)c2cc3c(cc2Br)OCCO3)c(Br)s1 2169494470 GSQOONIYQSCJCG-NSHDSACASA-N 484.007 5.232 50 10 JKGE O=C(c1scc(Br)c1Br)N1C[C@]2(F)CCC[C@]2(CBr)C1 2176640717 OWTLHZKCSSAWHU-QWHCGFSZSA-N 490.030 5.002 50 10 JKGE BrCc1cc(Br)c(OCC2C[C@H]3CCC[C@@H]3C2)c(Br)c1 2183360178 UIGBHXVLYSQTJM-CHWSQXEVSA-N 467.039 6.312 50 10 JKGE ClCc1nc2cc(Br)c(Cl)cc2n1C[C@H]1COCCN1Cc1ccccc1 2194649630 NORBDEFBTUJKNV-HNNXBMFYSA-N 469.210 5.092 50 10 JKGE Cc1cc(Br)c(C)c([C@@H](Br)C[C@H]2COC(C)(C)C2)c1Br 2201076548 GSSGLLDTQJTRGL-YPMHNXCESA-N 469.055 6.470 50 10 JKGE CC(C)[C@H](CBr)N(Cc1ccccc1)S(=O)(=O)Cc1cccc(Br)c1 2218987527 MOKJDSYPUYNIPT-IBGZPJMESA-N 489.273 5.201 50 10 JKGE COc1ccc(Br)cc1[C@@H](Br)c1scc(Br)c1C 2218995885 YFTSNEAIJJVCQX-GFCCVEGCSA-N 455.009 6.074 50 10 JKGE BrCc1c(Br)cccc1N1C[C@@H]2CCC[C@H](C1)N2Cc1ccccc1 2219218198 ILBPTABFUJCEMX-HDICACEKSA-N 464.245 5.587 50 10 JKGE Cc1sc([C@H](Br)c2c(Br)cc(F)c(F)c2F)cc1Br 2226083716 FMTYHWUCZWLLOK-JTQLQIEISA-N 478.953 6.483 50 10 JKGE Cc1cc(Br)c([C@H](Br)[C@H]2CCCC[C@H]2C)c(C)c1Br 2227360848 XHVJBXBKOIWOOS-RCAYSMOQSA-N 453.056 7.091 50 10 JKGE COc1cc(Br)c([C@H](Br)c2cc(Br)c(Cl)s2)cc1C 2227719927 ARNHCOQLRSRJHO-LBPRGKRZSA-N 489.454 6.728 50 10 JKGE Clc1cc(Br)c([C@H](Br)C2C[C@@H]3CCC[C@H]3C2)c(Cl)c1Cl 2232513013 VUCBBSNQORJEHT-UVPNAGLESA-N 461.452 7.672 50 10 JKGE CC1(C)C[C@@H]([C@H](Br)c2cc(Br)c(Br)cc2F)C(C)(C)O1 2233974340 FAYYWJMURSASIU-TVQRCGJNSA-N 473.018 6.380 50 10 JKGE Brc1ccc([C@@H](CI)O[C@@H]2CCN(Cc3ccccc3)C2)cc1 2244800317 LUBKHAVASAWRSJ-RTBURBONSA-N 486.191 5.216 50 10 JKGE CCN(C[C@](C)(CI)OC[C@H]1CC[C@H](C)CC1)C(=O)OC(C)(C)C 2250265415 HCOVOIFZTTXRLA-BXWFABGCSA-N 453.405 5.280 50 10 JKGE Clc1ccccc1[C@H](CI)OC1CCN(Cc2ccccc2)CC1 2250364146 BEGUBACVNCGIGC-FQEVSTJZSA-N 455.767 5.497 50 10 JKGE Fc1cccc(I)c1[C@H](Br)c1ccc(Cl)cc1Cl 2255959930 LADKGPWKUZNWBO-CYBMUJFWSA-N 459.911 6.221 50 10 JKGE CCc1cc([C@H](Br)c2cc(Br)ccc2F)sc1Br 2255989413 SUTMOUQALJAEMP-GFCCVEGCSA-N 457.000 6.459 50 10 JKGE Fc1cc(C[C@@H](Br)c2cc(I)ccc2F)ccc1Cl 2277916854 QBRZBFUFTJWRKS-LLVKDONJSA-N 457.483 5.902 50 10 JKGE Brc1cc(Br)cc(C[C@@H](Br)C2(CC3CC3)CCC2)c1 2277953475 SAIIFBAXFGLJRG-OAHLLOKOSA-N 451.040 6.488 50 10 JKGE COc1cc(C)c(Br)c(C)c1[C@H](Br)c1cn(C)nc1Br 2285055217 AGYHLPYMUXWRBA-CYBMUJFWSA-N 466.999 5.055 50 10 JKGE Cc1c(Br)ccc([C@H](Cl)c2cscc2S(C)(=O)=O)c1Br 2288500745 KQKADJACHVYRQW-ZDUSSCGKSA-N 458.624 5.313 50 10 JKGE Cc1ccc(NC(=O)C(C#N)=C2S[C@H](Cc3cccc(Cl)c3)C(=O)N2c2ccc(F)cc2)cc1 2293038874 DFIGKHHWVHIIPP-HSZRJFAPSA-N 491.975 5.853 50 10 JKGE Clc1cccc([C@@H](CI)OCc2cc(Br)ccc2Cl)c1 2295173877 QYZHHGLLGSUQEB-OAHLLOKOSA-N 485.974 6.449 50 10 JKGE Brc1cc(Br)cc(C[C@H](Br)[C@H]2C[C@H]2C2CCOCC2)c1 2295335643 MQWIASTXRGQEQD-JYJNAYRXSA-N 467.039 5.580 50 10 JKGE CC(C)OC(=O)c1ccsc1NC(=O)C(C#N)=Cc1ccccc1OCC=Cc1ccccc1 2295672251 GNCLCUKMZRXPHZ-UHFFFAOYSA-N 472.566 5.951 50 10 JKGE Cc1c(NC(=O)C(C#N)=Cc2ccc(-c3ccc(Cl)cc3Cl)o2)c(=O)n(-c2ccccc2)n1C 2296727131 VQEWOPFHAZMHRE-UHFFFAOYSA-N 493.350 5.597 50 10 JKGE N#CC(=Cc1ccc(Cl)cc1Cl)c1nc(-c2cc3c(ccc4ccccc43)oc2=O)cs1 2297212625 DNSUMJZSQSIRNT-UHFFFAOYSA-N 475.356 7.441 50 10 JKGE O=S1(=O)CCC[C@H]1[C@@H](Br)c1cc(Br)ccc1OCc1ccccc1 2299527398 HOBGYTHHNCRYPS-ROUUACIJSA-N 474.214 5.041 50 10 JKGE O=C(NN=C(C=Cc1ccccc1)C=Cc1ccccc1)c1ccccc1I 2313532936 MMNVCWNPVBTWMJ-UHFFFAOYSA-N 478.333 5.804 50 10 JKGE CC1=C(C#N)C(=O)N(Cc2ccco2)C(=O)C1=Cc1ccc(-c2cccc(Cl)c2Cl)o1 2314618448 NRPCBWARJYQLIQ-UHFFFAOYSA-N 453.281 5.639 50 10 JKGE CC[C@](C)(C(F)F)[C@@H](Br)c1cc(Br)c(Br)cc1F 2315001121 GMNAHWWWBHNZFC-JQWIXIFHSA-N 452.934 6.468 50 10 JKGE Fc1c(Br)cc(Cl)c([C@@H](Br)CC2CC(F)C2)c1Br 2315442438 UBBZUSUXPLFCQU-AHXFUIDQSA-N 467.373 6.578 50 10 JKGE Cc1cc(Br)c(F)c(Br)c1[C@@H](Cl)c1cocc1Br 2317394801 BKVCSWWCPVCNJQ-NSHDSACASA-N 461.350 6.343 50 10 JKGE COc1cc(C=C(C#N)c2cccc(Cl)c2)ccc1OC(=O)C=Cc1ccc([N+](=O)[O-])cc1 2318356244 DMDFPECAIMWOEW-UHFFFAOYSA-N 460.873 5.940 50 10 JKGE C[C@H](NC(=O)C(C#N)=CNc1ccccc1Sc1ccccc1)c1ccc2c(c1)CCCC2 2325108081 NULCKNCIUUHLQJ-FQEVSTJZSA-N 453.611 6.413 50 10 JKGE N#CC(=C(O)c1ccccc1I)c1nc(-c2c[nH]c3ccccc23)cs1 2331348992 HYDOCENKODOXQB-UHFFFAOYSA-N 469.307 5.846 50 10 JKGE CCOc1ccc(OCC)c(-c2csc(C(C#N)=C(O)c3cc(OC)c(OC)c(OC)c3)n2)c1 2331375950 ACICLFQIPFYYGA-UHFFFAOYSA-N 482.558 5.583 50 10 JKGE CCc1ccc(OCCCC(O)=C(C#N)c2nc(-c3cc(Cl)c(OC)c(Cl)c3)cs2)cc1 2331397426 AJMFVSITWIGQPO-UHFFFAOYSA-N 489.424 7.340 50 10 JKGE COc1ccc(-c2csc(C(C#N)=C(O)Cc3ccc(Br)cc3)n2)c2ccccc12 2331405080 NYVSRIPMYWNCGJ-UHFFFAOYSA-N 477.383 6.770 50 10 JKGE COc1ccc(-c2csc(C(C#N)=Cc3ccc(OCc4ccc(Cl)cc4)cc3)n2)cc1C 2331429668 QONOQROQIFWWDV-UHFFFAOYSA-N 472.997 7.424 50 10 JKGE N#CC(=Cc1cc2c(cc1[N+](=O)[O-])OCCO2)c1nc(-c2ccc(Cl)c(Cl)c2)cs1 2331443825 AMPUBWWIQITGBK-UHFFFAOYSA-N 460.298 5.860 50 10 JKGE COc1cc(OC)c(OC)cc1C=C(C#N)c1nc(-c2ccc(Oc3ccccc3)cc2)cs1 2331467481 WOMOUDJCYHDKDI-UHFFFAOYSA-N 470.550 6.692 50 10 JKGE COc1cc(OC)c(-c2csc(C(C#N)=Cc3cc(Br)ccc3O)n2)cc1Cl 2331472396 PIKPHHJXVCOKPY-UHFFFAOYSA-N 477.767 6.013 50 10 JKGE CO[C@@H]1C[C@@]2([C@H](Br)c3c(Br)cc(C)c(Br)c3C)C[C@@H]12 2333708174 CRGAWXXEOBMLHS-PVRXDPTQSA-N 453.012 5.689 50 10 JKGE Fc1cc(Br)c(F)c(Br)c1[C@H](Br)[C@H]1[C@@H]2CCCO[C@@H]21 2334720365 VAHBUBKILNFZES-SNDIWBFVSA-N 460.938 5.351 50 10 JKGE COCc1ccccc1[C@@H](Br)c1cc(Br)ccc1OCc1ccccc1 2336075759 RTRDMJPWLKQWMG-JOCHJYFZSA-N 476.208 6.659 50 10 JKGE Fc1ccc(C(F)F)c([C@@H](Br)c2cc(Br)c(Br)s2)c1 2338367244 KONZJPIRZQVKSA-SNVBAGLBSA-N 478.953 6.834 50 10 JKGE COc1ccc(CCC(CBr)(CBr)C2CC2)c(Br)c1 2339444841 WFUPPBATOHIKNM-UHFFFAOYSA-N 455.028 5.577 50 10 JKGE Cc1cc(Br)c(F)c(Br)c1[C@@H](Cl)c1cn(C)nc1Br 2339658758 LJYXMUIUACLWGL-JTQLQIEISA-N 475.381 5.483 50 10 JKGE CC[C@@H](C)NCc1cc(Br)c(OC[C@@H]2C[C@H]2Br)c(Br)c1 2358923143 ZEIHPMCMPDSDES-ADEWGFFLSA-N 470.043 5.262 50 10 JKGE Cc1cc(F)cc([C@@H](Br)c2c(Cl)cc(Br)c(F)c2Br)c1 2362252200 DIQUJXKCJVEXGW-GFCCVEGCSA-N 489.379 6.936 50 10 JKGE Fc1c(Br)cc(Cl)c([C@@H](Br)C[C@@H]2C[C@H]3CC[C@H]2C3)c1Br 2362255325 PJNDTJRCQSRVAD-XKNYDFJKSA-N 489.448 7.266 50 10 JKGE C=CCC1(CBr)CCN(Cc2ccc(Cl)c(I)c2)CC1 2362376119 QYJVQGXJSIKLTK-UHFFFAOYSA-N 468.604 5.498 50 10 JKGE C[C@@H]1CCCC[C@]12[C@@H](Br)C[C@@H]2Oc1cc(Br)cc(Br)c1 2364104514 RYYRJCJYYLAPJH-GCUJQHFUSA-N 467.039 6.323 50 10 JKGE CO[C@@H]1CCC[C@@H]([C@H](Br)c2c(C)cc(Br)c(F)c2Br)C1 2365178395 JELMVZGKKRPYNC-BREBYQMCSA-N 473.018 6.300 50 10 JKGE Clc1ccc([C@H](Cl)c2cc(Br)c3c(c2)CCO3)c(I)c1 2365599670 XEUVMKUHAKWPPY-CQSZACIVSA-N 483.958 5.970 50 10 JKGE COc1cc(Cl)c(CBr)c(Oc2cc(I)ccc2Cl)c1 2365787524 GHAGDFUNPDAKGY-UHFFFAOYSA-N 487.946 6.294 50 10 JKGE COc1cc([C@@H](Br)c2csc(C)c2Br)c(OC)cc1Br 2369587318 PHXUAYICIDXZDQ-CQSZACIVSA-N 485.035 6.083 50 10 JKGE COc1cc(/C=C(\C#N)S(=O)(=O)c2ccc(Cl)cc2)ccc1OCc1ccccc1Cl 1915653 XMNRZYVYNADLNV-UDWIEESQSA-N 474.365 5.919 50 10 JKGE O=C(N/N=C/c1ccc(-c2ccc(Cl)c(Cl)c2)o1)[C@H]1COc2cc3ccccc3cc2O1 2869631 AVCALQNBCMNKPS-VVKUOSDESA-N 467.308 5.697 50 10 JKGE O=C(c1ccc(Cl)s1)N(/N=C/c1cccs1)c1nc2ccc(Br)cc2s1 12488136 XRCYMCWFRNDAKZ-AWQFTUOYSA-N 482.837 6.516 50 10 JKGE O=C([C@H](Cl)c1ccccc1)N(CC(=O)N1CCc2sccc2[C@@H]1c1ccc(Cl)cc1)C1CC1 16487347 FULVDQFBOZFQKA-RPBOFIJWSA-N 499.463 5.847 50 10 JKGE CCOC(=O)c1c(-c2ccc(Cl)cc2)csc1NC(=O)/C(C#N)=C\c1ccccc1O 33282855 KGYMQMMNQRGIDP-WJDWOHSUSA-N 452.919 5.496 50 10 JKGE CCCCOc1ccc(/C=C(\C#N)C(=O)Nc2scc(-c3ccc(F)cc3)c2C(=O)OCC)cc1 33346620 CIIBYMHGDYURQP-HMMYKYKNSA-N 492.572 6.455 50 10 JKGE O=[N+]([O-])c1ccc(OC[C@@H](Br)[C@H](Br)c2cc(Cl)ccc2Cl)cc1 33353114 KKNXMZDBHCMFTD-UKRRQHHQSA-N 483.971 6.180 50 10 JKGE CCN(CC)CCOC(=O)c1ccc(N/C=C(\C#N)c2nc(-c3ccc(F)cc3)cs2)cc1 34378976 FDCPMFOEDVWYNZ-CAPFRKAQSA-N 464.566 5.424 50 10 JKGE CC(C)(C)c1ccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4cccc(Cl)c4)ccc32)cc1 38649850 ZQDKVPCIWUQKCU-DEOSSOPVSA-N 458.945 6.075 50 10 JKGE Cc1ccc2c(Cl)c(C(=O)Oc3ccc4c(c3)OC(N)=C(C#N)[C@H]4c3ccc(F)cc3)sc2c1 38688022 QLORBIBIPRJTES-QFIPXVFZSA-N 490.943 6.440 50 10 JKGE Cc1cccc(C(=O)N/N=C2\CCCc3oc(C(=O)Nc4cc(Cl)ccc4Cl)c(C)c32)c1 40811374 DTONFWNYBVUGNL-MTDXEUNCSA-N 470.356 5.926 50 10 JKGE CCCCOc1ccc(NC(=O)c2oc3c(c2C)/C(=N/NC(=O)c2ccc(F)cc2)CCC3)cc1 40811917 BGEDOYPBFAWXIT-JBASAIQMSA-N 477.536 5.629 50 10 JKGE Cc1c(Cl)cccc1NC(=O)c1oc2c(c1C)/C(=N/NC(=O)Cc1ccc([N+](=O)[O-])cc1)CCC2 40814569 AKRFJPCFEWVUJS-VFCFBJKWSA-N 494.935 5.110 50 10 JKGE Cc1c(C(=O)N2c3ccc(F)cc3CC[C@@H]2C)oc2c1/C(=N/NC(=O)c1cccs1)CCC2 40823670 HNMLJSXGDVZQTQ-UIBHDDBDSA-N 465.550 5.241 50 10 JKGE O=C(N/N=C\c1ccccc1OC(=O)c1ccc(Cl)cc1)c1ccc(NC(=O)c2ccccc2)cc1 59500502 VVFOESMXDDOECU-YKQZZPSBSA-N 497.938 5.575 50 10 JKGE O=C(CCCSc1ccccn1)N/N=C/c1ccccc1OCc1cccc(Br)c1 59519392 PHXYMSBCWSNWHW-WGOQTCKBSA-N 484.419 5.446 50 10 JKGE CC(C)(C)CC(C)(C)NC(=O)/C(C#N)=C\c1cn(Cc2ccc(Cl)cc2)nc1-c1ccccc1 96504384 DBQKJLMRQSTLJR-JCMHNJIXSA-N 475.036 6.490 50 10 JKGE COc1ccc(N2C(=O)[C@@H](Cc3ccccc3Cl)S/C2=C(/C#N)C(=O)Nc2ccccc2)cc1 101244587 ANGVYUYBVXVSSI-GFPZRUSRSA-N 489.984 5.414 50 10 JKGE COc1ccc(-c2csc(/C(C#N)=C\Nc3ccc(C)cc3Br)n2)cc1OC 102420354 DFKGWVWDQOZIAT-PTNGSMBKSA-N 456.365 5.875 50 10 JKGE Cc1ccc(NC(=O)/C(C#N)=C\c2c(Oc3ccc(C(C)(C)C)cc3)nc3c(C)cccn3c2=O)cc1 102848536 DTWNKFLBGWPMFM-FXBPSFAMSA-N 492.579 5.947 50 10 JKGE FC(F)(F)c1ccc(Br)c([C@@H](Br)c2cc(Cl)sc2Cl)c1 159841610 BFTHLVYMPRTQFL-SNVBAGLBSA-N 468.947 7.321 50 10 JKGE Fc1cccc([C@H](Br)c2cc(Br)ccc2Br)c1Cl 165431102 DPBDCMMEFTUIJU-LBPRGKRZSA-N 457.362 6.488 50 10 JKGE CCCCCOc1ccc(/C=C/C(=O)Oc2ccc(/C=C(/C#N)C(=O)NCCCC)cc2)cc1OC 207091787 ZHZOLSNULHBCPX-IZBZNQHOSA-N 490.600 5.706 50 10 JKGE O=[N+]([O-])c1cc(Br)c(Oc2ccccc2CBr)c(Br)c1 218281958 KYTDDVGLHNOGGI-UHFFFAOYSA-N 465.923 5.807 50 10 JKGE BrCc1cc(Br)ccc1Oc1ccc(Br)cc1Br 232479246 JBAHZWIBIFIVHY-UHFFFAOYSA-N 499.822 6.661 50 10 JKGE COc1ccc(Cl)cc1[C@@H](Br)c1ccc(F)cc1I 234860100 GNCGSRWRYOOUFV-AWEZNQCLSA-N 455.492 5.577 50 10 JKGE Clc1ccc(I)c([C@H](Br)c2ccc(Cl)c(Cl)c2)c1 236069444 TUEKIQBBBQTTMU-CYBMUJFWSA-N 476.366 6.736 50 10 JKGE CCOc1cccc(C=NNC(=O)CSc2nnc(-c3ccc(C)cc3)n2C2CCCCC2)c1O 254819995 YUWUTRRXJWIVPK-UHFFFAOYSA-N 493.633 5.105 50 10 JKGE Cc1ccc(C(C)C)cc1OCC(=O)NN=Cc1ccc(OC(=O)/C=C/c2ccccc2)cc1 254872078 PSPNMNDTDGIVHK-LJGLUOFYSA-N 456.542 5.266 50 10 JKGE Clc1ccc(Br)cc1[C@H](Cl)c1cc(I)cc2c1OCC2 312377447 QQCDWQNDNZSMFJ-AWEZNQCLSA-N 483.958 5.970 50 10 JKGE Cc1cc(Br)c([C@H](Br)c2cc(Br)sc2C)cc1Cl 380683774 RGVVKOZBCMYCHC-CYBMUJFWSA-N 473.455 7.028 50 10 JKGE COc1ccc(Br)cc1[C@@H](Br)c1cc(C)c(Br)cc1C 383557308 VREMNYWAFWCEDT-INIZCTEOSA-N 463.007 6.321 50 10 JKGE C[C@H]1CCN(c2cccc(Br)c2CBr)CCN1Cc1ccccc1 394719191 VTZBVXKOCXDSEX-INIZCTEOSA-N 452.234 5.445 50 10 JKGE CCOc1ccc(Br)cc1[C@@H](Br)c1cc(Br)oc1C 396501237 REPAXTYXWKNFNW-AWEZNQCLSA-N 452.968 5.996 50 10 JKGE Fc1cc2c(cc1I)nc(CCl)n2Cc1csc(Br)c1 397361418 XUCOOLKRXONMRV-UHFFFAOYSA-N 485.547 5.391 50 10 JKGE Cc1cc(Br)c([C@@H](Br)[C@H]2CC(C)(C)OC2(C)C)cc1Br 710091694 GMSYTGVLKSLPAF-BXUZGUMPSA-N 469.055 6.550 50 10 JKGE N#C/C(=C(/Cl)c1ccc(I)c(Br)c1)c1cccs1 721300237 BBLNMYSDSCQXSV-LCYFTJDESA-N 450.526 5.746 50 10 JKGE O=C(NN=C1C(=O)N(Cc2cccc3ccccc23)c2ccccc21)c1cc2ccccc2cc1O 1084025732 ZMHZZFGRUJANHD-UHFFFAOYSA-N 471.516 5.380 50 10 JKGE C#CCOc1ccc(C=NNC(=O)COc2ccc(C3CCCCC3)cc2)cc1Br 1084098770 GDQIFAANGPMZKT-UHFFFAOYSA-N 469.379 5.038 50 10 JKGE C=CCc1cc(/C=C(\C#N)C(=O)Nc2ccc(C)cc2)cc(OC)c1OCc1cccc2ccccc12 1084230555 DFIDDNFABHQMGK-OVVQPSECSA-N 488.587 7.010 50 10 JKGE C=CCc1cc(/C=C(\C#N)C(=O)Nc2ccc(C)cc2)cc(OCC)c1OCc1ccccc1F 1084641921 DQWYWBKMZGJBFY-LFVJCYFKSA-N 470.544 6.386 50 10 JKGE Cc1ccc(NC(=O)c2oc3c(c2C)C(=NNC(=O)C(c2ccccc2)c2ccccc2)CCC3)cc1 1772748125 IOZWSAZYOXXFIL-UHFFFAOYSA-N 491.591 6.137 50 10 JKGE Cc1cc(OC(=O)c2oc3c(c2C)C(=NNC(=O)c2ccccc2O)CCC3)cc(C)c1Cl 1772751769 MGUIOCDIZXYFHW-UHFFFAOYSA-N 466.921 5.253 50 10 JKGE O=C(COc1cccnc1NC(=O)Oc1ccc([N+](=O)[O-])cc1F)Nc1cc(Cl)cc(Cl)c1 1858682622 BMXPCMRWCPMCDQ-UHFFFAOYSA-N 495.250 5.064 50 10 JKGE N#CC1=C(N)Oc2c(c(-c3ccccc3)nn2-c2ccc(Cl)c(Cl)c2)[C@@H]1c1ccccc1Cl 1865685619 KWVQYMPMTAMYIP-OAQYLSRUSA-N 493.781 6.718 50 10 JKGE CCCCCOc1ccc([C@@H]2C(C#N)=C(N)Oc3c2c(CC)nn3Cc2cccc(Cl)c2)cc1 1865692710 HONLELYKLIINFU-XMMPIXPASA-N 477.008 5.934 50 10 JKGE CCCc1nn(CCC)c2c1[C@H](c1ccc(OCc3ccccc3)c(OCC)c1)C(C#N)=C(N)O2 1865694189 RESWGBCTORNWOH-RUZDIDTESA-N 472.589 5.441 50 10 JKGE CCCCCCOc1ccc([C@H]2C(C#N)=C(N)Oc3c2c(C(F)(F)F)nn3CCC)cc1OC 1865696178 KPBWXAYNGVJIPP-IBGZPJMESA-N 478.515 5.498 50 10 JKGE N#CC1=C(N)Oc2c(c(C(F)(F)F)nn2-c2ccccc2Cl)[C@@H]1c1ccc(F)cc1F 1865702539 WQXBYXQTUBHJMS-OAHLLOKOSA-N 452.770 5.041 50 10 JKGE CCCOc1ccccc1[C@H]1C(C#N)=C(N)Oc2c1c(C(F)(F)F)nn2-c1ccc(Cl)cc1 1865702833 GIJZDNTXOGYKPI-SFHVURJKSA-N 474.870 5.551 50 10 JKGE CCc1ccc([C@@H]2C(C#N)=C(N)Oc3c2c(C(F)(F)F)nn3Cc2cc(C)ccc2C)cc1 1865708651 BWVFZJWQYGMXDB-HXUWFJFHSA-N 452.480 5.348 50 10 JKGE CC(C)Oc1ccc(/C=C(C(/O)=C(\C#N)c2nc(-c3cccs3)cs2)\c2ccccc2)cc1 1872750760 QGKZASNMQZAXLR-SKSDSGLOSA-N 470.619 7.692 50 10 JKGE CCCCC1CCC(/C(O)=C(\C#N)c2nc(-c3cc(C(C)C)c(OC)cc3C)cs2)CC1 1872753586 DUOYENYOUKSPND-RWEWTDSWSA-N 452.664 8.040 50 10 JKGE COc1cc(C)c(-c2csc(/C(C#N)=C(\O)[C@H]3CC(=O)N([C@@H](C)c4ccccc4)C3)n2)cc1C 1872758316 UXLIGRFEVZQHJD-KQKJTQEGSA-N 473.598 5.838 50 10 JKGE CCOc1cc(/C=C(\C#N)c2nc(-c3cccc(OC)c3)cs2)ccc1OCc1ccc(C)cc1 1872781410 DVXYXXUYAIAGSX-ZVHZXABRSA-N 482.605 7.169 50 10 JKGE N#C/C(=C\c1ccc(OC(=O)c2ccccc2)cc1)c1nc(-c2ccc(Cl)cc2Cl)cs1 1872781420 FRJOJLNYDPDCDZ-LDADJPATSA-N 477.372 7.400 50 10 JKGE COc1cc(/C=C(\C#N)c2nc(-c3ccc(F)cc3)cs2)ccc1OCCCc1ccccc1 1872791925 WQUFBIDYTRCQFY-XQNSMLJCSA-N 470.569 7.034 50 10 JKGE FC(F)(F)[C@@H]1OC2([C@H](Br)c3cc(Br)c(Br)s3)CC1C2 1878419581 UQZXBGRLOABXED-GDUWDCBHSA-N 484.957 5.819 50 10 JKGE CCCN[C@@H](c1cc(Br)c(C)cc1Br)[C@H]1C[C@@H](Br)C1 1887759940 MRMRGBQGBBKZCS-JRPNMDOOSA-N 454.044 5.734 50 10 JKGE FC(F)(F)CC[C@@H](Br)c1cc(Br)ccc1OCc1ccccc1 1899857704 RKWKFGPMLCIYOR-OAHLLOKOSA-N 452.108 6.807 50 10 JKGE O=C(CCl)c1c(Br)c(Br)cc(Br)c1Br 1906131082 AIEPHLOFRRZYHH-UHFFFAOYSA-N 470.180 5.158 50 10 JKGE CC(C)(C)O[C@H]1C[C@@H]([C@H](Br)c2cc(Br)sc2Br)C1 1913999398 RCTZBLGCLFJRCX-RNSXUZJQSA-N 461.057 6.303 50 10 JKGE CC[C@@H](Br)CN(Cc1ccccc1)C(=O)c1c(F)cc(Br)cc1F 1915090339 KAUSCZJQZZKQJN-CYBMUJFWSA-N 461.144 5.543 50 10 JKGE CC[C@H](Br)CN(Cc1ccccc1)C(=O)Cc1ccccc1I 1915128881 SYTSMTCVDYGUCV-KRWDZBQOSA-N 486.191 5.036 50 10 JKGE Cc1c(Br)sc([C@@H](Br)c2ccc3sccc3c2)c1Br 1922895614 XOLZFJQGUINFHT-LBPRGKRZSA-N 481.072 7.281 50 10 JKGE CCOc1ccccc1[C@@H](Br)c1sc(Br)cc1Br 1922945099 CLGITENJECMGMX-GFCCVEGCSA-N 455.009 6.156 50 10 JKGE Clc1c(Br)sc(Br)c1[C@H](Br)[C@H]1Cc2ccccc21 1923050202 RELDAFVLIGUROM-WCBMZHEXSA-N 471.439 6.702 50 10 JKGE C[C@H](c1ccncc1Br)[C@@H](Cl)c1cc(Br)ccc1Br 1924042481 AFDBHMUPUAHNOX-XLKFXECMSA-N 468.414 6.453 50 10 JKGE Fc1cccc(F)c1C[C@H](Br)c1c(Cl)sc(Br)c1Cl 1925588432 FVORWJFXKILUDX-LURJTMIESA-N 450.957 6.774 50 10 JKGE CCN(C[C@@](C)(CI)OCC(C)(C)C(F)(F)F)C(=O)OC(C)(C)C 1945433978 OSPIHVBFYABUNB-OAHLLOKOSA-N 467.310 5.042 50 10 JKGE C[C@H]1CN(c2cc(Br)ccc2CBr)[C@H](C)CN1Cc1ccccc1 1946784379 ZSXFDZHESMIRDX-JKSUJKDBSA-N 452.234 5.443 50 10 JKGE Cc1c([C@H](Br)c2cc(Cl)c(Br)s2)nn(C)c1Br 2002830657 QWVDOVIHTIGYBG-SSDOTTSWSA-N 463.420 5.453 50 10 JKGE CC(C)Cc1ccc([C@H](Br)c2scc(Br)c2Br)s1 2027130270 FKLAYSNTOBJUQI-LBPRGKRZSA-N 473.093 7.017 50 10 JKGE COc1ccc([C@H](Br)c2csc(Br)c2Br)c(Cl)c1 2032958664 JJVRBONVTQGEJP-JTQLQIEISA-N 475.427 6.419 50 10 JKGE COc1sc([C@@H](Br)c2cc(Br)ccc2Cl)cc1Br 2034628102 BRRXOTHOWSABEJ-NSHDSACASA-N 475.427 6.419 50 10 JKGE Brc1cc([C@@H](Br)[C@@H]2CCn3nccc3C2)sc1Br 2046628790 VNMGBMUMKRXHRP-HQJQHLMTSA-N 455.013 5.168 50 10 JKGE Brc1cc(Br)c([C@H](Br)[C@H]2CCn3nccc3C2)s1 2046632020 ZBZCIOGHZWORMW-WRWORJQWSA-N 455.013 5.168 50 10 JKGE Cn1nc([C@H](Br)c2c(Cl)sc(Cl)c2Cl)c(Br)c1Cl 2048155825 MRAIPSMIKOWWIO-GSVOUGTGSA-N 473.832 6.342 50 10 JKGE Clc1c(Br)sc(Br)c1[C@@H](Br)C1CC(C2CCC2)C1 2056676857 FNWPHKYIVPEMDO-KTOWXAHTSA-N 477.487 7.189 50 10 JKGE Fc1ccc(C(F)(F)F)cc1-n1nc(CCl)c(I)c1C(F)(F)F 2079212599 WUEUCIQYHANBEM-UHFFFAOYSA-N 472.529 5.392 50 10 JKGE Cc1cc([C@@H](Cl)c2ccc(Br)c(C)c2Br)sc1Br 2083317131 CQNIZFZSXLMMPU-LBPRGKRZSA-N 473.455 6.981 50 10 JKGE Clc1ccc(C[C@@H](CBr)c2ccc(Br)cc2)cc1Br 2110527287 YMWSYMAFYVBGSR-LBPRGKRZSA-N 467.426 6.586 50 10 JKGE CC1(C)CCCN(C(=O)c2cc(Br)sc2Br)[C@@H]1CBr 2129322809 BJAAZHDUSVIKIM-SECBINFHSA-N 474.056 5.299 50 10 JKGE CCn1ncc(Br)c1[C@@H](Br)c1cc(Br)c(Cl)cc1C 2137657080 RFSDWHCTKUANFZ-LBPRGKRZSA-N 471.418 5.874 50 10 JKGE COc1c(Br)cc(C)cc1[C@H](Cl)c1cccc(I)c1 2139017654 WZRPXQKAJTXEKR-CQSZACIVSA-N 451.529 5.699 50 10 JKGE Cc1cc([C@@H](Cl)c2cc(Br)c(Cl)cc2C)ccc1I 2142104591 YWOVGYFOYHGPRX-OAHLLOKOSA-N 469.975 6.652 50 10 JKGE Cl[C@@H](c1cc(Br)c2c(c1)CCO2)c1ccc(Br)cc1Br 2146617853 AHNLLANRYFECSU-AWEZNQCLSA-N 481.409 6.237 50 10 JKGE Cc1cc(Br)c([C@H](Br)c2ccc(C(F)(F)F)o2)cc1Br 2146667206 QNOKBBRZEMADMO-LBPRGKRZSA-N 476.912 6.616 50 10 JKGE COc1ccc([C@@H](Br)c2scc(C)c2Br)c(OC)c1Br 2157035621 MQVCJTCMSRHGBU-LLVKDONJSA-N 485.035 6.083 50 10 JKGE O=C(NC[C@H]1CCCC[C@H](Br)C1)c1cc(Cl)ccc1I 2163745190 FQOHMRFXQRIITF-QWRGUYRKSA-N 470.576 5.018 50 10 JKGE CC(C)(C)[C@@H]1CC[C@H](Br)[C@H](Cc2cc(Br)ccc2Br)C1 2175145591 VUUJUBBDJVKCDN-KYOSRNDESA-N 467.083 6.980 50 10 JKGE Brc1ccccc1[C@@H](CI)O[C@H]1CCOC2(CCC2)C1 2197371536 ZBEHRJOVJWHTEM-SWLSCSKDSA-N 451.142 5.044 50 10 JKGE Cc1cc(Br)c([C@H](Br)[C@@H]2C[C@@H]2C2CCCCC2)cc1Br 2199992124 BQGUHFKDXMTOJO-PBFPGSCMSA-N 465.067 7.172 50 10 JKGE CC[C@@H]1CC[C@@H](CC(CBr)(CBr)c2cccc(Br)c2)O1 2201407964 BHZFWWTXGMYUBA-CABCVRRESA-N 469.055 5.824 50 10 JKGE Fc1ccc([C@H](Br)c2ccc(-c3cccs3)s2)c(I)c1 2205864723 ZPTVLOHNHFWGRI-HNNXBMFYSA-N 479.177 6.705 50 10 JKGE Clc1cc(Br)c([C@H](Cl)c2coc(Br)c2)c(Cl)c1Cl 2217608231 LPLVNQDTLOXUAV-SECBINFHSA-N 453.772 7.093 50 10 JKGE CC1(C)CCC[C@H]([C@H](Br)c2c(Br)sc(Br)c2Cl)O1 2219698193 CNFQWPQEXMRFJB-SVRRBLITSA-N 481.475 6.710 50 10 JKGE Fc1cc(F)c([C@H](Br)c2csnc2Br)c(F)c1Br 2220497570 LSDJGBIRLPAVSC-SSDOTTSWSA-N 465.914 5.570 50 10 JKGE C[C@@H]1O[C@H](C)[C@H]([C@@H](Br)c2cc(Br)c(Br)cc2F)[C@@H]1C 2225618605 YTKGZUCWGRMMST-YWQXKACGSA-N 458.991 5.846 50 10 JKGE Cc1cc(C)c([C@H](Br)c2scc(Br)c2C)c(C)c1Br 2226121997 LYSHTCGPIKNUTD-AWEZNQCLSA-N 467.064 6.991 50 10 JKGE Cc1cc(Br)c([C@H](Br)[C@H]2CCOC[C@@H]2C)c(C)c1Br 2227346891 GGCOJLJFHNDVFR-CCUNJIBTSA-N 455.028 5.937 50 10 JKGE CC(C)(C)OC(=O)N1CCC[C@@](CI)(O[C@H]2CC[C@@H](C(F)(F)F)CC2)C1 2231401399 UKELERWDDAAPLU-VBQJREDUSA-N 491.332 5.329 50 10 JKGE C[C@H](Br)CN(CCC(C)(C)C)c1ncc(Br)cc1Br 2272334539 GRNPYCHQCHSRLC-JTQLQIEISA-N 457.048 5.633 50 10 JKGE Cc1cc([C@H](Br)c2c(F)cc(Br)c(F)c2Br)sc1C 2272849982 OZUPEMGGSPXLLS-NSHDSACASA-N 474.990 6.652 50 10 JKGE Fc1cccc(F)c1[C@@H](Br)Cc1cc(Br)cc(Br)c1 2277960590 JRBWULMFUVOVAC-NSHDSACASA-N 454.934 6.169 50 10 JKGE Cc1cc([C@@H](Cl)Cc2cc(Br)cc(Br)c2)ccc1Br 2277962485 IDOMMAVSJPRQRW-HNNXBMFYSA-N 467.426 6.805 50 10 JKGE COc1cc(Cl)c(Cl)cc1[C@H](Cl)c1ccc(Br)cc1Br 2279059290 GHMKUVHABNVONQ-CQSZACIVSA-N 459.392 6.855 50 10 JKGE O=C(c1ccc(Cl)c(I)c1)N1CCCC[C@H]1CCCBr 2283664992 KUFOCJPWISTNOM-LBPRGKRZSA-N 470.576 5.114 50 10 JKGE Fc1cccc(Br)c1CC(CBr)(CBr)c1ccccc1 2289749147 RMAQCLUPVLXGTF-UHFFFAOYSA-N 464.998 5.859 50 10 JKGE Cc1ccc(NC(=O)C(C#N)=Cc2cc(Br)cc(Br)c2O)c(C)c1 2297324999 MSGPRSWVHYGSLB-UHFFFAOYSA-N 450.130 5.080 50 10 JKGE N#CC(=Cc1ccc(OCC(=O)c2ccccc2)cc1)c1nc(-c2ccc([N+](=O)[O-])cc2)cs1 2297368642 DDSAYOQBTNWXLA-UHFFFAOYSA-N 467.506 6.044 50 10 JKGE Fc1ccc([C@H](Cl)c2sc(Cl)cc2I)cc1Br 2300956330 YIWDJFSGGPZKBR-JTQLQIEISA-N 465.940 6.236 50 10 JKGE BrCc1ccncc1Oc1cc(Br)cc(I)c1 2301072107 VBZPJKGNDHANCW-UHFFFAOYSA-N 468.914 5.136 50 10 JKGE N#CC(=Cc1cn(Cc2ccccc2F)c2ccccc12)C(=O)Nc1cccc(Cl)c1Cl 2313570620 BHOTZZOAAAHBJM-UHFFFAOYSA-N 464.327 6.681 50 10 JKGE COc1ccc(CNC(=O)C(C#N)=Cc2ccc(OCc3ccccc3Cl)c(OC)c2)cc1 2313670725 RSNXAWIMPSXQJB-UHFFFAOYSA-N 462.933 5.160 50 10 JKGE C[C@H](NC(=O)C(C#N)=Cc1cc(Br)ccc1OCc1ccccc1Cl)c1ccccc1 2313670839 ZUEGEYXNURXESC-KRWDZBQOSA-N 495.804 6.466 50 10 JKGE FC1(F)[C@@H]2COC[C@]21[C@@H](Br)c1cc(Br)ccc1OCc1ccccc1 2314458426 FDYFPVAFZRVDPG-FGTMMUONSA-N 474.139 5.746 50 10 JKGE CCOc1cc(C=C2C(=O)N(C3CCCC3)C(=O)C(C#N)=C2C)ccc1OCc1ccc(C)cc1 2314617174 SDCXPHWARBBYLO-UHFFFAOYSA-N 470.569 5.508 50 10 JKGE CC1=C(C#N)C(=O)N(Cc2ccc(F)cc2)C(=O)C1=Cc1ccc(OCc2ccc(Cl)cc2)cc1 2314620337 NHOKTCHXLYUAQY-UHFFFAOYSA-N 486.930 5.851 50 10 JKGE CCCc1sc(Br)cc1[C@@H](Br)c1nn(C)cc1Br 2316170342 IWMRYKZNQMQACW-LLVKDONJSA-N 457.029 5.443 50 10 JKGE COCc1cccc([C@@H](Br)c2sc(Cl)cc2I)c1 2316597510 STBACRVEKQDTJM-GFCCVEGCSA-N 457.558 5.637 50 10 JKGE Cn1nc(Br)c(Br)c1[C@H](Br)c1ccc(C2CC2)s1 2316831739 ABYXFPBTOWSWKK-SECBINFHSA-N 455.013 5.368 50 10 JKGE COc1cc(C=C(C#N)c2ccccc2F)ccc1OC(=O)[C@@H](C)Oc1ccc(Cl)cc1Cl 2320506979 VWEXJVCWKJYUCQ-OAHLLOKOSA-N 486.326 6.578 50 10 JKGE COc1cc2nc(C(C#N)=Cc3ccccc3OCc3ccccc3C)nc(O)c2cc1OC 2331039563 QZYMEOUGJOOAPQ-UHFFFAOYSA-N 453.498 5.304 50 10 JKGE CC[C@@H](C)N1C(=O)c2ccc(C(O)=C(C#N)c3nc(-c4cccc(OC)c4)cs3)cc2C1=O 2331246315 ALNHQXSRTUJXMK-CQSZACIVSA-N 459.527 5.163 50 10 JKGE N#CC(=C(O)CNC(=O)c1ccc(Cl)cc1Cl)c1nc(-c2ccc(Cl)cc2Cl)cs1 2331250589 IAHWDKZWBLEWLD-UHFFFAOYSA-N 499.206 6.646 50 10 JKGE COc1cc(C=CC(O)=C(C#N)c2nc(-c3ccccc3Cl)cs2)cc(OC)c1OC 2331266921 NOCLCXWRQZHLOC-UHFFFAOYSA-N 454.935 5.995 50 10 JKGE COc1ccc(-c2csc(C(C#N)=C(O)C=Cc3cc(Br)c(OC)c(OC)c3)n2)cc1 2331273339 IDZWTUNOKUMJGU-UHFFFAOYSA-N 499.386 6.104 50 10 JKGE CCc1cccc(C)c1N1C[C@H](C(O)=C(C#N)c2nc(-c3cc(Cl)ccc3OC)cs2)CC1=O 2331410804 GTPJKQLXZYPPKH-QGZVFWFLSA-N 494.016 6.189 50 10 JKGE CCCCCOc1ccc(C=C(C#N)c2nc(-c3cc(C)ccc3OC)cs2)cc1OCC 2331448858 IPROKBWRYJFOOV-UHFFFAOYSA-N 462.615 7.159 50 10 JKGE COc1ccc([C@@H](Br)c2cc(Br)ccc2OCc2ccccc2)cc1Cl 2336057832 VPCSANOCFXRRCE-OAQYLSRUSA-N 496.626 7.174 50 10 JKGE Fc1c(Br)cc(Cl)c([C@@H](Br)c2ccccc2Cl)c1Br 2337113852 KEQVXZRSPRDVMP-NSHDSACASA-N 491.807 7.142 50 10 JKGE Brc1ccc(OCc2ccccc2)c([C@H](Br)[C@@H]2COC3(CCC3)CO2)c1 2338791165 UPGUOTLMTGINPI-PMACEKPBSA-N 482.212 5.802 50 10 JKGE Clc1ccc(CN2C[C@H](Br)CCC23CCC3)c(I)c1 2341058879 GYEBSEKXWNRNLP-GFCCVEGCSA-N 454.577 5.227 50 10 JKGE COc1c(Br)cc(Cl)cc1[C@H](Br)c1csc(C)c1Br 2343558390 RBPCOBYMGDXJJO-LBPRGKRZSA-N 489.454 6.728 50 10 JKGE Cc1cc(OCc2ccc(I)c(Br)c2)cc(CCl)n1 2350077364 RPUYOPVEZQFMEO-UHFFFAOYSA-N 452.517 5.075 50 10 JKGE CCOC1CC(C[C@@H](Br)c2c(Cl)cc(Br)c(F)c2Br)C1 2362230891 SUTZOJXTDAKGON-AMDVSUOASA-N 493.436 6.645 50 10 JKGE Fc1c(Br)cc(Cl)c([C@H](Br)[C@@H]2CO[C@@H]3COC[C@@H]32)c1Br 2362234071 FHUMTQYQKZQULI-LIUHEQGWSA-N 493.392 5.102 50 10 JKGE Cc1cc(Br)c(F)c(Br)c1[C@@H](Br)c1cc2c(s1)CCC2 2365185048 HDIPSBRIFUPFBB-ZDUSSCGKSA-N 483.038 6.694 50 10 JKGE CCOC1CC([C@H](Br)c2c(C)cc(Br)c(OC)c2Br)C1 2365192482 WDWHIOOFNCDGPD-ZPPKWKGLSA-N 471.027 5.780 50 10 JKGE BrCc1cc(Br)cc(Br)c1O[C@@H]1CCC[C@H]2CCO[C@H]21 2380213462 MFSCVDIWYXCOBH-JBCWJZNQSA-N 469.011 5.443 50 10 JKGE FC(F)(F)CC1CCC([C@H](Br)c2sc(Br)cc2Br)CC1 2381954717 STFVKMZNVPAMMM-AYVLWNQUSA-N 499.028 7.468 50 10 JKGE C=CCN1C(c2ccc(Br)cc2)=CS/C1=C(\C#N)c1nnc2n1CCCCC2 15906406 ABIZACQHQWOGFM-HEHNFIMWSA-N 454.397 5.193 50 10 JKGE COc1ccc(/C(C#N)=C\c2cccc(OC(=O)[C@@H](C)Oc3ccc(Cl)cc3Cl)c2)cc1 31903177 PHMOVTZSAVTUBK-BKAYVGFPSA-N 468.336 6.439 50 10 JKGE N#C/C(=C/c1cn(-c2ccccc2)nc1-c1cccc(OCc2ccccc2)c1)C(=O)N1CCCCC1 35446011 MNTITSRHKDVZMT-XHPQRKPJSA-N 488.591 6.038 50 10 JKGE CCCCOc1cccc(C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@H]3c2cccc(F)c2)c1 38678243 WZCJSAGZQJEHJZ-VWLOTQADSA-N 458.489 5.442 50 10 JKGE CCCOc1ccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4ccc(C)cc4)ccc32)cc1OCC 38683745 CTEVVIBDQOXWPX-HHHXNRCGSA-N 484.552 5.620 50 10 JKGE C=CCOc1cccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4ccc(OCCC)cc4)ccc32)c1 38684558 AFKFIQHOPRFGFV-HHHXNRCGSA-N 482.536 5.478 50 10 JKGE CCCCC1CCC(C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@H]3c2ccc(OCC)cc2)CC1 38701417 UJIQRRBKLMFJIU-GASOQUEOSA-N 474.601 6.205 50 10 JKGE Cc1ccc(NC(=O)[C@@H](Br)[C@H](Br)c2ccccc2)c(Br)c1 101642723 ZDUCHERKUCBCPZ-CABCVRRESA-N 476.006 5.596 50 10 JKGE CCCCCCOC(=O)c1ccccc1N/C=C(/C#N)c1nc(-c2ccc(CC(C)C)cc2)cs1 102418109 NHNFHUBVCYGGHT-CLCOLTQESA-N 487.669 7.722 50 10 JKGE 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 118913208 MFEGXCLQSLHLPH-HVTOAAFTSA-N 453.406 5.217 50 10 JKGE CCOc1ccc(Br)cc1[C@H](Br)c1cccc(F)c1Br 156109173 KUERWGTUYPATIR-CQSZACIVSA-N 466.970 6.234 50 10 JKGE CCOc1cc(OCC)c([N+](=O)[O-])cc1/C=C(/C#N)c1nc(-c2ccc(Cl)cc2)cs1 169939482 KVJBWEXGHYASTM-SXGWCWSVSA-N 455.923 6.233 50 10 JKGE C[C@H](NC(=O)/C(C#N)=C\Nc1ccccc1Sc1ccccc1)c1ccc2c(c1)CCCC2 217201197 NULCKNCIUUHLQJ-MOWYTJSFSA-N 453.611 6.413 50 10 JKGE CC[C@@H](C)c1ccc([C@H](Br)c2cc(Br)sc2Br)cc1 233868115 QGTNQRZTBSQFNK-OTYXRUKQSA-N 467.064 7.271 50 10 JKGE Clc1cc([C@@H](Br)c2ccc(Br)cc2Br)c(Cl)s1 236068959 YLJOBPIJBYPSRC-JTQLQIEISA-N 479.846 7.064 50 10 JKGE CC[C@H](Oc1ccc2ccccc2c1Br)C(=O)NN=Cc1ccc2ccccc2c1 252634135 WKLOFJUOJYCTDG-QFIPXVFZSA-N 461.359 6.063 50 10 JKGE CCOc1ccccc1C=NNC(=O)CSc1nnc(SCc2cccc3ccccc23)s1 254875494 WNARFGYJUWSQCA-UHFFFAOYSA-N 494.667 5.625 50 10 JKGE O=C1Cc2cc([C@H](Br)c3csc(Br)c3)c(Br)cc2N1 302300269 DUSPEIFSLHNDDA-CYBMUJFWSA-N 465.992 5.252 50 10 JKGE Cc1cc([C@H](Br)c2cccc(OCc3ccccc3)c2)c(C)cc1Br 311194395 FRQWBXYGPQBLFA-JOCHJYFZSA-N 460.209 7.129 50 10 JKGE C[C@H]1CN(Cc2ccccc2)CCN(c2cccc(Br)c2CBr)C1 394817536 WEPDKPGQIOSBKW-INIZCTEOSA-N 452.234 5.302 50 10 JKGE CC(C)[C@H](CN(C)Cc1ccccc1)n1c([C@H](C)Cl)nc2cc(I)ccc21 397955094 BCCLJRXDOKPLAG-KKSFZXQISA-N 495.836 6.270 50 10 JKGE Brc1cc2c(c([C@H](Br)c3ccccc3Br)c1)OCCC2 688377505 CHDXXNTXUBZQOG-OAHLLOKOSA-N 460.991 6.021 50 10 JKGE C[C@]12CN(Cc3ccccc3)C[C@H]1CN(c1ccc(CBr)c(Br)c1)C2 702089628 PRIDEZCAHJKABH-GHTZIAJQSA-N 464.245 5.302 50 10 JKGE Clc1cc(Br)c(OCCc2ccc(Br)cn2)c(CBr)c1 708057907 ZCSYFSCSJUHIFB-UHFFFAOYSA-N 484.413 5.776 50 10 JKGE CC1(C)[C@@H](OCc2ccccc2)C[C@@H]1n1c(CCl)nc2cc(Br)c(F)cc21 718077956 LMHKXCZCJUYCPZ-OALUTQOASA-N 451.767 6.233 50 10 JKGE Brc1cc([C@@H](Br)c2ccc3c(c2)COC3)ccc1I 721605368 SJSNZJBFKXYEPX-HNNXBMFYSA-N 493.964 5.568 50 10 JKGE O=C(N[C@@H](CCBr)C1CCCCC1)c1cc(Br)sc1Br 725038780 ZAVJFRDVBKFENR-NSHDSACASA-N 488.083 5.737 50 10 JKGE O=C([C@H](c1cccs1)N(C(=O)CCl)c1cccc(C(F)(F)F)c1)N1CCCCCC1 725237151 ABXVRMDAYNMDTD-IBGZPJMESA-N 458.933 5.483 50 10 JKGE C=CCc1cc(C=NNC(=O)CC[C@@H](O)c2ccccc2)cc(OCC)c1OCc1ccc(C)cc1 1084511563 DNPHLMXRJJACTE-HHHXNRCGSA-N 486.612 5.665 50 10 JKGE CC(=NNC(=O)[C@@H]1[C@H](C=C(Cl)Cl)C1(C)C)c1cc(C(F)(F)F)cc(C(F)(F)F)c1 1088668203 AQHNUDZVSKNBDU-JSGCOSHPSA-N 461.233 6.156 50 10 JKGE CCCCc1ccc(NC(=O)c2oc3c(c2C)C(=NNC(=O)c2cccc4ccccc24)CCC3)cc1 1772748476 QTBJWKJQDHYDKK-UHFFFAOYSA-N 493.607 6.807 50 10 JKGE CCCc1ccc(OCC(=O)NN=Cc2ccccc2OCc2ccccc2)c(Br)c1 1772755857 HEJGQEUXNNZNFB-UHFFFAOYSA-N 481.390 5.510 50 10 JKGE CCOc1cc([C@H]2C(C#N)=C(N)Oc3c2c(-c2ccccc2)nn3Cc2ccccc2Cl)ccc1O 1865681644 SGYONAVTMOSXQV-DEOSSOPVSA-N 498.970 5.574 50 10 JKGE CC(C)c1ccc([C@@H]2C(C#N)=C(N)Oc3c2c(-c2ccccc2)nn3Cc2ccccc2F)cc1 1865685672 LGUUBSDHEXJESO-RUZDIDTESA-N 464.544 6.079 50 10 JKGE CCCc1nn(-c2ccc(Cl)cc2)c2c1[C@H](c1c(Cl)cccc1Cl)C(C#N)=C(N)O2 1865686205 RZCUCZSVPOMHIZ-SFHVURJKSA-N 459.764 6.003 50 10 JKGE CCCCOc1ccc([C@H]2C(C#N)=C(N)Oc3c2c(-c2ccccc2)nn3-c2ccc(OC)cc2)cc1 1865690063 HVZUFVARMJWIIG-SANMLTNESA-N 492.579 5.945 50 10 JKGE CCCOc1ccc([C@H]2C(C#N)=C(N)Oc3c2c(-c2ccc(OC)cc2)nn3Cc2ccccc2)cc1 1865694320 SXIIPQANMVQXDF-SANMLTNESA-N 492.579 5.614 50 10 JKGE CCCn1nc(C(F)(F)F)c2c1OC(N)=C(C#N)[C@H]2c1ccc(OCc2ccc(Cl)cc2)cc1 1865696345 ZIXJRVAQSYNCSK-LJQANCHMSA-N 488.897 5.762 50 10 JKGE COc1ccc(-c2nn(-c3cccc4ccccc34)c3c2[C@@H](c2cccs2)C(C#N)=C(N)O3)cc1 1865698239 OAIHDQCRHMXUHN-XMMPIXPASA-N 476.561 5.981 50 10 JKGE Cc1ccsc1[C@H]1C(C#N)=C(N)Oc2c1c(C(F)(F)F)nn2-c1cccc2ccccc12 1865699566 XCKZICXFAFTHJB-KRWDZBQOSA-N 452.461 5.632 50 10 JKGE Cc1ccc(Cn2nc(-c3ccccc3)c3c2OC(N)=C(C#N)[C@H]3c2ccccc2OC(C)C)cc1 1865704996 JXUDPAIOLYMCOJ-AREMUKBSSA-N 476.580 5.912 50 10 JKGE N#CC1=C(N)Oc2c(c(-c3ccccc3)nn2Cc2ccccc2)[C@H]1c1ccc(Cl)c([N+](=O)[O-])c1 1865706085 NFIKGTLYQSPKKZ-QFIPXVFZSA-N 483.915 5.378 50 10 JKGE COc1ccc(-c2nn(Cc3ccc(Cl)cc3)c3c2[C@@H](c2ccccc2OC)C(C#N)=C(N)O3)cc1 1865709346 AESXISHELYJQTR-DEOSSOPVSA-N 498.970 5.487 50 10 JKGE CCCC[C@H](NC(=O)c1cc(-c2ccc(C)c(C)c2)n(C)n1)C(=O)Nc1ccc(SC#N)cc1 1866824879 BTHVGFDCTFRWKF-QFIPXVFZSA-N 475.618 5.204 50 10 JKGE CC[C@@](C)(NC(=O)[C@H](c1ccc(C(C)C)cc1)C(C)C)C(=O)Nc1ccc(SC#N)cc1 1866960326 FMOKUSAGCBRHEA-JYFHCDHNSA-N 451.636 6.046 50 10 JKGE CCOc1ccc(/C=C/C(O)=C(\C#N)c2nc(-c3ccc4c(c3)CCCC4)cs2)cc1OC 1872745499 POPVGIJLQIMSEU-QOJMKNSZSA-N 458.583 6.602 50 10 JKGE CCOc1ccc(/C=C/C(O)=C(\C#N)c2nc(-c3ccc(Br)cc3)cs2)cc1OC 1872746539 MRIHJEFNQRVFCI-HTRABEEESA-N 483.387 6.486 50 10 JKGE CC(C)(C)c1ccc(OCCC/C(O)=C(\C#N)c2nc(-c3ccc4c(c3)OCCO4)cs2)cc1 1872751150 UENCNGCKNHVPTC-LNVKXUELSA-N 476.598 6.531 50 10 JKGE COc1c(Cl)cc(Cl)cc1-c1csc(/C(C#N)=C(\O)Cc2cc(Cl)ccc2Cl)n1 1872754374 PRKSGUUQKKTMHH-JXAWBTAJSA-N 486.207 7.468 50 10 JKGE COc1cc(-c2csc(/C(C#N)=C(\O)[C@@H](C)Oc3ccc(C(C)C)cc3)n2)c(OC)cc1Cl 1872756100 CUDCEAULQVFGEG-ZLVLUESYSA-N 485.005 6.864 50 10 JKGE COC(=O)c1ccc(/C=C/C(O)=C(\C#N)c2nc(-c3ccc(OC)c(OC)c3OC)cs2)cc1 1872759083 DCMCJDCVJZBTCE-QSKRLOCZSA-N 478.526 5.129 50 10 JKGE COc1ccc(C)cc1-c1csc(/C(C#N)=C(\O)[C@@H](C(C)C)N2C(=O)c3ccccc3C2=O)n1 1873920266 BJCJFIMSUUDTPJ-SXKPWUIASA-N 473.554 5.241 50 10 JKGE Clc1cscc1[C@H](Br)c1cc(Br)ccc1OCc1ccccc1 1899861822 KVSCZMQHPUCQNU-GOSISDBHSA-N 472.629 7.227 50 10 JKGE C[C@H]1C[C@@H](Cc2ccc(I)c(Br)c2)[C@H](Br)C1 1904330811 YUXWEOITAYVPGS-INTQDDNPSA-N 457.975 5.406 50 10 JKGE Clc1cc(CC[C@@H](Br)COCc2ccccc2)ccc1I 1907287489 ULNROJUAEDZKCA-OAHLLOKOSA-N 479.583 5.858 50 10 JKGE Cc1c(Br)sc([C@H](Br)c2cscc2C(F)F)c1Br 1922920596 IXVRBRCPYUPHQI-MRVPVSSYSA-N 481.019 7.065 50 10 JKGE Cc1cc([C@H](Br)c2sc(Br)c(C)c2Br)ccc1Cl 1922954949 URPCYXNDSWTPOQ-NSHDSACASA-N 473.455 7.028 50 10 JKGE CCOC1CC([C@@H](Br)c2c(Br)sc(Br)c2Cl)C1 1923068520 SQRAMXNUWPWYCD-NPWHJSNTSA-N 467.448 6.178 50 10 JKGE CC1CCC([C@@H](Br)c2c(Br)sc(Br)c2Cl)CC1 1923071091 GOMLCKUFIMAHCY-QXUHLLMWSA-N 465.476 7.189 50 10 JKGE Clc1cc(Br)cc([C@@H](Br)Cc2ncccc2Br)c1 1924861042 LLSBFSDMKMMOLQ-LBPRGKRZSA-N 454.387 5.939 50 10 JKGE C[C@H]1COc2ccc([C@H](Br)c3c(Br)cccc3Br)cc21 1925685442 GUQLVKKFBBHIDZ-FVMDXXJSSA-N 460.991 6.192 50 10 JKGE CCc1sc(Br)cc1[C@@H](Br)c1csc(I)c1 1937441182 ATUAVLVWYBSKPV-NSHDSACASA-N 492.039 6.223 50 10 JKGE CC(C)C(CBr)(CBr)Cc1cccc(Br)c1Br 1943887064 MDMQTEVBDVEMMK-UHFFFAOYSA-N 491.887 6.186 50 10 JKGE C[C@H]1CN(Cc2ccccc2)[C@H](C)CN1c1ccc(CBr)cc1Br 1946783274 NXHXNTMHXGBUBT-CVEARBPZSA-N 452.234 5.443 50 10 JKGE O=C(O)CCC[C@H](CCCC[C@H]1CCSS1)NC(=O)OCC1c2ccccc2-c2ccccc21 1951547051 XPFRLSKSVQLAQC-PMACEKPBSA-N 499.698 6.863 50 10 JKGE O=C(NC1(C(=O)O)CC(CCCC[C@H]2CCSS2)C1)OCC1c2ccccc2-c2ccccc21 1952454139 JTONMNXAPHGSLK-ZVOWCHSISA-N 497.682 6.473 50 10 JKGE Cc1nc([C@@H](Cl)c2sc(Br)cc2Br)c(Br)s1 1980616035 XGISVKCYHZBBAR-ZCFIWIBFSA-N 466.445 6.129 50 10 JKGE FC(F)(F)CC1([C@H](Br)c2cc(Br)sc2Br)CC1 2007731146 NHWBVXFIWITNKL-SSDOTTSWSA-N 456.947 6.442 50 10 JKGE COc1sc([C@@H](Br)c2cc(C)ccc2Br)cc1Br 2034630366 VLDODEBOVCBISN-LBPRGKRZSA-N 455.009 6.074 50 10 JKGE CN(Cc1ccc(Br)s1)c1ccc(CBr)c(Br)c1 2039293020 MUOZLOIEDSIHLX-UHFFFAOYSA-N 454.025 5.804 50 10 JKGE C[C@H](CBr)N(Cc1ccccc1)C(=O)c1cc(Br)cc(C(F)(F)F)c1 2052303355 MEFQCNQNOHVAJZ-GFCCVEGCSA-N 479.134 5.894 50 10 JKGE C[C@H](CCBr)N(Cc1ccccc1)C(=O)c1cc(Br)ccc1[N+](=O)[O-] 2065844338 FPWKYXCYXGCNQW-CYBMUJFWSA-N 470.161 5.173 50 10 JKGE CCc1nn(C)c([C@@H](Cl)c2sc(Br)cc2Br)c1Br 2072303928 DWEJJKDAZCUWFL-SECBINFHSA-N 477.447 5.660 50 10 JKGE Cc1c(Br)ccc([C@H](Cl)c2ccc(Br)cc2)c1Br 2083317213 DLZVEKUZSDTYFP-CQSZACIVSA-N 453.399 6.611 50 10 JKGE Clc1cc(Br)c(OCc2cc(Br)sn2)c(CBr)c1 2084091968 KWLIIYCAXKSGDJ-UHFFFAOYSA-N 476.415 5.795 50 10 JKGE CCC[C@H](CCBr)CNC(=O)c1c(Br)cccc1Br 2094089601 YHRPGNLUKMBQMW-SNVBAGLBSA-N 456.016 5.143 50 10 JKGE CCn1cc([C@H](Br)c2cc(Br)c(Cl)cc2F)nc1Br 2097839610 VVDXONWSYXLVJL-LLVKDONJSA-N 475.381 5.705 50 10 JKGE CC(C)CN1C[C@H](Cc2ccc(Br)cc2Br)[C@@H](Br)C1 2100722720 MXKMJUDAOMIERH-WFASDCNBSA-N 454.044 5.105 50 10 JKGE Cc1c(Br)ccc([C@@H](Cl)c2nn(C)c(Br)c2C)c1Br 2138867224 RLIOYHALLHPWSD-LLVKDONJSA-N 471.418 5.653 50 10 JKGE FC(F)(C1CCCCC1)[C@H](Br)c1ccc(Br)cc1Br 2138872494 SIBDZAQSHYRXIL-CYBMUJFWSA-N 460.982 6.863 50 10 JKGE Fc1ccc(CBr)c(OCc2cccc(Br)c2Br)c1 2139771937 IDRHSQVINSPGHP-UHFFFAOYSA-N 452.943 5.825 50 10 JKGE CC(C)n1nccc1COc1c(Br)cc(Br)cc1CBr 2150672736 WNUXGXWYBARMJW-UHFFFAOYSA-N 466.999 5.463 50 10 JKGE Fc1cc(Br)cc(F)c1[C@H](Br)c1cc(C2CC2)c(Br)s1 2151031805 HSFVAAFHDRQBSI-CYBMUJFWSA-N 487.001 6.913 50 10 JKGE CCCN(c1c(CCl)ccc(Br)c1Cl)C1CCN(Cc2ccccc2)CC1 2154365455 NCUKPNNMIKNKMV-UHFFFAOYSA-N 470.282 6.722 50 10 JKGE COc1cc(Br)c([C@H](Br)c2cc(Cl)c(Cl)s2)cc1OC 2156050083 KQXBUVLVLZVMMQ-LBPRGKRZSA-N 461.002 6.319 50 10 JKGE COc1cc(F)c(Br)cc1[C@@H](Br)c1c(Br)sc(C)c1C 2157250184 AWFOTHHJZWVANJ-CYBMUJFWSA-N 487.026 6.522 50 10 JKGE C[C@H](Cl)c1nc2cc(Br)c(Cl)cc2n1[C@H]1C[C@@H](C)N(Cc2ccccc2)C1 2160082262 GWJNKBDNHVHDEV-YCPHGPKFSA-N 467.238 6.588 50 10 JKGE CN(C(=O)c1cc(Br)sc1Br)C1(CBr)CC2(CCC2)C1 2164569693 XYENFZWGBOKCPR-UHFFFAOYSA-N 486.067 5.443 50 10 JKGE COC1(C(F)(F)[C@@H](Br)c2ccc(Br)c(C)c2Br)CCC1 2203681356 ARWCTXXSIHGOKH-LBPRGKRZSA-N 476.981 6.160 50 10 JKGE Cc1c(Br)ccc([C@H](Cl)Cc2c(Cl)cccc2Cl)c1Br 2203689359 YCXKCNJJQZIUMN-CQSZACIVSA-N 457.420 7.349 50 10 JKGE FC(F)(F)[C@@H]1CC[C@@H]1[C@@H](Br)c1sc(Br)cc1Br 2212877185 JOICAUPBHCPSPM-CPDSJTNBSA-N 456.947 6.298 50 10 JKGE Clc1cc(Br)c([C@@H](Br)c2coc(Br)c2)c(Cl)c1Cl 2217610770 MJCSJANIBALLSH-VIFPVBQESA-N 498.223 7.249 50 10 JKGE CCn1cc(Br)c([C@@H](Br)c2c(C)sc(Br)c2C)n1 2218803435 PZHHYSXHGOWPRK-JTQLQIEISA-N 457.029 5.591 50 10 JKGE CC(C)CCOCC[C@H](Cl)c1sc(Br)c(Br)c1Br 2222471969 BHHBKEHIHZXMOE-QMMMGPOBSA-N 483.491 6.768 50 10 JKGE Fc1cc(F)c([C@@H](Br)c2ccc(OCc3ccccc3)cc2)c(F)c1Br 2227805309 SSCKCOIWEIXMEA-SFHVURJKSA-N 486.125 6.930 50 10 JKGE O=S1(=O)C[C@H]2C([C@H](Br)c3c(Br)cc(Cl)c(Cl)c3Cl)[C@@H]2C1 2232508765 AUXVOCLTYVIDAQ-INWPNSDISA-N 483.436 5.136 50 10 JKGE CC[C@]12CO[C@]([C@@H](Br)c3c(Br)cc(Cl)c(Cl)c3Cl)(C1)C2 2232520543 OZJMXSIIDMLANX-MELADBBJSA-N 463.424 6.805 50 10 JKGE C[C@@H]1CCC[C@@H]([C@@H](Br)c2c(Br)cc(Cl)c(Cl)c2Cl)CC1 2232529657 YIQPHIBQVBEOMB-JRKPZEMJSA-N 463.468 8.062 50 10 JKGE C[C@H](Cl)c1nc2c(F)cc(Br)cc2n1C[C@@H]1CC1(Br)Br 2233039824 MOHGVXOKMKLUTF-BQBZGAKWSA-N 489.408 5.744 50 10 JKGE Cc1cc(Br)c([C@H](Br)c2c(F)cccc2Cl)c(C)c1Br 2235607127 YIQQWYSEPUITEF-HNNXBMFYSA-N 485.416 7.105 50 10 JKGE Cc1cc(Br)c([C@H](Cl)c2cc3cscc3s2)c(C)c1Br 2235607898 HRWIDGMZAWGNEI-OAHLLOKOSA-N 450.648 7.433 50 10 JKGE Cc1cc(Br)c([C@H](Br)C2CC3(C2)CC3(C)C)c(C)c1Br 2235611095 UVLURYNYWPBBQD-GMQFJONSSA-N 465.067 7.091 50 10 JKGE Cc1nn(C)c([C@@H](Br)c2scc(C(F)(F)F)c2Br)c1Cl 2240928653 DOFPNWASSHYZNR-SSDOTTSWSA-N 452.521 5.709 50 10 JKGE COc1cc(C)c(Br)cc1[C@@H](Cl)c1cc(C)ccc1I 2240997083 RCTNUBCPBUDXIH-INIZCTEOSA-N 465.556 6.007 50 10 JKGE Cc1cc([C@@H](Cl)Cc2cc(Br)cc(Br)c2)sc1Br 2263446144 JNLBGWNEBMPMCI-NSHDSACASA-N 473.455 6.867 50 10 JKGE COc1ccnc(Oc2ccc(Br)cc2Br)c1CBr 2266366231 JUJFXQDWXKULMT-UHFFFAOYSA-N 451.940 5.302 50 10 JKGE COc1ccc([C@H](Cl)c2cc(C)cc(Br)c2)cc1I 2269544330 NXNCIZYOVOBLQY-HNNXBMFYSA-N 451.529 5.699 50 10 JKGE CC(C)c1ccc([C@@](C)(CI)O[C@@H]2CCN(Cc3ccccc3)C2)cc1 2272051688 XWJSQIUFSDQBBZ-DHIUTWEWSA-N 463.403 5.751 50 10 JKGE CC1(C)CCCC[C@@H]1[C@@H](Br)c1c(F)cc(Br)c(F)c1Br 2288373008 DJORXOVYVGZTNH-PRHODGIISA-N 475.009 7.142 50 10 JKGE COc1cc(C=C(C#N)C(=O)N2CCCCCC2)c(Br)cc1OCc1ccccc1 2294705444 RWRKKRMMXJCYRB-UHFFFAOYSA-N 469.379 5.346 50 10 JKGE CC(C)(C)O[C@H]1C[C@@H]([C@H](Br)Cc2cc(Br)cc(Br)c2)C1 2295344968 GNEOWDNTVDNCRF-BYCMXARLSA-N 469.055 6.111 50 10 JKGE CCOc1c(Br)cc(C=C(C#N)C(=O)Nc2sccc2C(=O)OC(C)C)cc1OC 2295672299 LCTLOLUMSNFEOK-UHFFFAOYSA-N 493.379 5.029 50 10 JKGE COc1cc(NC=C(C#N)c2nc(-c3cc4ccccc4oc3=O)cs2)c(C(C)=O)cc1OC 2295934410 SGPQIRRTOWLXOW-UHFFFAOYSA-N 473.510 5.113 50 10 JKGE C[C@@H]1COCC[C@@H]1[C@@H](Br)c1ccc(OCc2ccccc2)cc1Br 2299529583 DEGLPKOBZHJVBP-CFLQYTFWSA-N 454.202 6.137 50 10 JKGE CC1(C)COC[C@@H]1[C@H](Cl)c1c(Br)sc(Br)c1Br 2299622382 SMQUXLBJYHZCPH-XRGYYRRGSA-N 467.448 5.988 50 10 JKGE CC[C@@H](CC(F)(F)F)[C@H](Br)c1sc(Cl)cc1I 2300996933 BGRGHIUOXFDOPP-XNCJUZBTSA-N 461.512 6.421 50 10 JKGE Cl[C@@H](c1c(Br)sc(Br)c1Br)[C@@H]1O[C@H]2CC[C@H]1C2 2307418675 WCSUSFFMQKPNFZ-YSPBZLIWSA-N 465.432 5.883 50 10 JKGE N#CC(=Cc1cc(Br)ccc1OCc1ccc(F)cc1)C(=O)Nc1ccc(Cl)cc1 2313630581 CDAONDIQEFFOST-UHFFFAOYSA-N 485.740 6.366 50 10 JKGE N#CC(=Cc1cn(Cc2ccc(Cl)c(Cl)c2)c2ccccc12)C(=O)Nc1ccccc1Cl 2313631039 JFWKVWDIAWWGBF-UHFFFAOYSA-N 480.782 7.195 50 10 JKGE CCOC(=O)C(C#N)=Cc1cn(-c2ccccc2)nc1-c1ccc(OCc2ccccc2F)cc1 2314414681 IVIVKKRLUSTLMI-UHFFFAOYSA-N 467.500 5.727 50 10 JKGE Cc1cc(Oc2nc3c(C)cccn3c(=O)c2C=C(C#N)C(=O)Nc2ccccc2C)ccc1Cl 2314532409 IYDXILNMQDSVIE-UHFFFAOYSA-N 484.943 5.611 50 10 JKGE C=CCOc1ccc(-c2nn(-c3ccccc3)cc2C=C2C(=O)N(CC(C)C)C(=O)C(C#N)=C2C)cc1 2314611741 ZOGJTSCJGGXUSY-UHFFFAOYSA-N 492.579 5.352 50 10 JKGE COc1ccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)C=Cc4ccc(Cl)cc4)ccc32)cc1 2314634303 ZTBJQPDSVTZNCF-RUZDIDTESA-N 458.901 5.186 50 10 JKGE CC[C@H](C)c1ccccc1NC=C(C#N)C(=O)Nc1ccc(I)cc1C 2318462135 CDUMEYXACFTOPU-AWEZNQCLSA-N 459.331 5.571 50 10 JKGE Cc1cc(OCc2ccc(CCl)cc2)cc2c1C(=O)C(=Cc1cc(Cl)cc3c1OCOC3)O2 2325339589 LPGRXOFAVQPVPC-UHFFFAOYSA-N 483.347 6.449 50 10 JKGE Cc1cc(I)ccc1NC(=O)C(C#N)=CNc1ccccc1C(F)(F)F 2325405890 LHHKSRSWAYSCBT-UHFFFAOYSA-N 471.220 5.077 50 10 JKGE CC[C@H](C)N1C(=O)c2ccc(C(O)=C(C#N)c3nc(-c4ccc5c(c4)CCCC5)cs3)cc2C1=O 2331240116 RSSVYDQLMUCQTL-INIZCTEOSA-N 483.593 6.033 50 10 JKGE COc1cc(C=CC(O)=C(C#N)c2nc(-c3ccc(F)cc3F)cs2)cc(OC)c1OC 2331286598 OFJDTHGZPMNZNZ-UHFFFAOYSA-N 456.470 5.620 50 10 JKGE CCOc1ccc(C=C(C(O)=C(C#N)c2nc(-c3ccc(C)cc3C)cs2)c2ccccc2)cc1 2331310858 PTYBMIHTMWWGDI-UHFFFAOYSA-N 478.617 7.859 50 10 JKGE CC[C@H](C)N1C(=O)c2ccc(C(O)=C(C#N)c3nc(-c4ccc(OC)c(F)c4)cs3)cc2C1=O 2331337093 XQQRKTJTVWPNEN-ZDUSSCGKSA-N 477.517 5.302 50 10 JKGE CC(C)(C)c1ccc(OCCCC(O)=C(C#N)c2nc(-c3cccc4ccccc34)cs2)cc1 2331339520 NXPWYPPZGZMLSO-UHFFFAOYSA-N 468.622 7.913 50 10 JKGE COc1ccc(CC(O)=C(C#N)c2nc(-c3cc(Cl)cc(Cl)c3OC)cs2)c(OC)c1 2331362545 XKOXGXPLZVJRSG-UHFFFAOYSA-N 477.369 6.178 50 10 JKGE N#CC(=C(O)CCCOc1ccc2ccccc2c1)c1nc(-c2ccc(Cl)s2)cs1 2331402108 PPPXUDNLVVZRMY-UHFFFAOYSA-N 452.988 7.330 50 10 JKGE CCN(Cc1ccccc1)c1ccc(C=C(C#N)c2nc(-c3cccc(OC)c3)cs2)cc1 2331421549 YRXBXSJVMVXBFT-UHFFFAOYSA-N 451.595 6.909 50 10 JKGE CCCCCOc1ccc(C=C(C#N)c2nc(-c3ccc(OC)c(C)c3)cs2)cc1OCC 2331429534 FBOGOQZNVXYDKJ-UHFFFAOYSA-N 462.615 7.159 50 10 JKGE CCCOc1ccc(-c2csc(C(C#N)=Cc3cc(OC)c(O)c(OC)c3)n2)cc1OCCC 2331438065 XRSVXPJUJVZWLX-UHFFFAOYSA-N 480.586 6.175 50 10 JKGE CCOc1cc(C=C(C#N)c2nc(-c3ccc(OC)c(Cl)c3)cs2)cc(Br)c1O 2331480680 FGXOAYXSDZQCAR-UHFFFAOYSA-N 491.794 6.403 50 10 JKGE FC(F)c1cccc([C@@H](Br)c2ccc(OCc3ccccc3)cc2Br)c1 2336040539 GOPMDNMBLZIXLF-HXUWFJFHSA-N 482.162 7.450 50 10 JKGE COc1ccc([C@@H](Br)c2cc(Br)ccc2OCc2ccccc2)c(Cl)c1 2336055761 CLHOTMPGBRSHGF-OAQYLSRUSA-N 496.626 7.174 50 10 JKGE COc1ccc(C[C@@H](Cl)c2cc(Br)c(Br)s2)c(Br)c1 2338885529 RPZGFJKLEIUHLV-LLVKDONJSA-N 489.454 6.567 50 10 JKGE Cc1cc(Br)c(F)c(Br)c1[C@@H](Cl)c1cn(C)c(Br)n1 2339653430 JDTFTGKHVHRPPX-JTQLQIEISA-N 475.381 5.483 50 10 JKGE Cc1cc(Br)c(F)c(Br)c1[C@@H](Br)[C@H]1CCC12CCC2 2339685322 SFAQSUGLAUPLJM-SKDRFNHKSA-N 455.003 6.675 50 10 JKGE Clc1ccc([C@@H](Br)c2ccc(C3CCC3)s2)c(I)c1 2340065892 NDZQFHXNNKHWPI-OAHLLOKOSA-N 467.597 6.758 50 10 JKGE Brc1cc([C@H](Br)c2cc3c(cc2Br)OCCC3)ns1 2343583049 IVKAHXKYEDRMAG-CYBMUJFWSA-N 468.008 5.477 50 10 JKGE Fc1ccc(CBr)c(OCc2ccc(I)c(Br)c2)c1 2349804377 BJJIUKVNNKSUIY-UHFFFAOYSA-N 499.943 5.667 50 10 JKGE Clc1ccc([C@H](Cl)CCc2ccc(I)c(Br)c2)cc1 2349834035 GKNBRCVLXVJADM-CQSZACIVSA-N 469.975 6.620 50 10 JKGE Clc1cc(Br)c([C@@H](Br)[C@@H]2CC[C@H]3C[C@@H]2CO3)c(Cl)c1Cl 2358398521 CAKBHQMVRFBAGA-ZWADGADFSA-N 463.424 6.660 50 10 JKGE Fc1cc(Cl)c(Br)c(Cl)c1[C@@H](Cl)c1ccc(Br)c(Cl)c1 2360402903 VHEJUKOXDWCKDZ-LBPRGKRZSA-N 481.801 7.639 50 10 JKGE Fc1cc(Cl)c(Br)c(Cl)c1[C@H](Cl)c1cccc(Br)c1Cl 2360491957 ITPOAUPSHKVGMA-GFCCVEGCSA-N 481.801 7.639 50 10 JKGE FC(F)Oc1cccc([C@@H](Cl)c2cc(Br)ccc2OCc2ccccc2)c1 2361179275 UWWMGLYEFFZJJN-HXUWFJFHSA-N 453.710 6.958 50 10 JKGE Cc1cc(I)c(OC[C@H](CBr)c2ccccc2)cc1Cl 2361590836 NHIJZGYZPJQOOB-ZDUSSCGKSA-N 465.556 5.811 50 10 JKGE Fc1c(Br)cc(Cl)c([C@@H](Br)[C@@H]2C(F)(F)C23CCC3)c1Br 2362225457 VSUOVMFVLLRIFA-KOLCDFICSA-N 497.374 6.876 50 10 JKGE Fc1c(Br)cc(Cl)c([C@H](Cl)[C@@H]2CC23CC(F)(F)C3)c1Br 2362250730 GRCLZZBHCMDEOF-XUOSJQGZSA-N 452.923 6.719 50 10 JKGE Fc1c(Br)cc(Cl)c([C@H](Br)C2[C@H]3[C@H]4CC[C@@H](C4)[C@H]23)c1Br 2362257505 IJDYQMXGRCOMIY-WAXZLOEISA-N 487.432 6.732 50 10 JKGE COc1c(Br)cc(C)c([C@H](Cl)c2cc(Br)oc2C)c1Br 2365174967 BPGDBSLWPSZVOR-CYBMUJFWSA-N 487.413 6.521 50 10 JKGE CC(C)[S@](=O)(=NCC1(CBr)CC(C)(C)C1)[C@@H]1CCN(C(=O)OC(C)(C)C)C1 2371134316 UHZIEKRIFPHMJB-CHAGWJKLSA-N 465.498 5.074 50 10 JKGE ClCC(CCl)(Cc1ccc(I)c(Br)c1)C1CCCCC1 2377292276 SNKKKXMIPNXXAP-UHFFFAOYSA-N 490.050 6.641 50 10 JKGE O=C(NC1CCCCC1)[C@@H](c1ccc(Cl)cc1)N(CCc1ccc(Cl)cc1)C(=O)CCl 3035229 GHGLUYVDDHFGCP-HSZRJFAPSA-N 481.851 5.794 50 10 JKGE Cc1ccc(/C=N/NC(=O)CSc2nc3scc(-c4ccc(C(C)C)cc4)c3c(=O)[nH]2)cc1 9043038 AMNDJNNQPGBPNG-RPPGKUMJSA-N 476.627 5.326 50 10 JKGE CC(C)c1cc(Br)ccc1OCC(=O)NNC(=O)c1ccc(-c2ccccc2)cc1 9231571 FEOXODVHHXCMOE-UHFFFAOYSA-N 467.363 5.080 50 10 JKGE C[C@@H]1[C@H]2C3=CC[C@@H]4[C@@]5(C)C=C(C#N)C(=O)C(C)(C)[C@@H]5CC[C@@]4(C)[C@]3(C)CC[C@@]2(C(=O)O)CC[C@H]1C 13558263 CIYXVIQBEAQCQV-SCKKLSKKSA-N 477.689 6.967 50 10 JKGE C[C@H](Oc1ccccc1Cl)C(=O)NNC(=O)c1ccc(NC(=O)c2ccc(C(C)(C)C)cc2)cc1 14026940 KNYLNWQTOVHYNX-KRWDZBQOSA-N 493.991 5.118 50 10 JKGE CCCCCCOc1ccc(C(=O)NNC(=O)COc2ccc(C(C)(C)C)cc2C(C)(C)C)cc1 14661787 AKAIWTLSKOBGMK-UHFFFAOYSA-N 482.665 6.081 50 10 JKGE COc1cc(/C=C(/C#N)c2ccc(Cl)cc2)ccc1OC(=O)c1ccc(C(F)(F)F)cc1 31902196 GOGKBOZJTZTEEL-PDGQHHTCSA-N 457.835 6.651 50 10 JKGE COc1ccc(/C(C#N)=C\c2cccc(OC(=O)c3ccc(Br)cc3)c2)cc1OC 31902899 SLRRTVILWPTFNU-UNOMPAQXSA-N 464.315 5.750 50 10 JKGE CCOc1cc(/C=C(/C#N)C(=O)Nc2cc([N+](=O)[O-])ccc2F)ccc1OCc1ccccc1 33344052 BXAPYPFJLQOEAN-UNOMPAQXSA-N 461.449 5.257 50 10 JKGE N#C/C(=C\c1ccc(N2N=C(c3ccccc3)C[C@@H]2c2ccccc2)cc1)c1ccc(Cl)cc1 33568763 FJSJHSRGDQOSMQ-FVQUOCSTSA-N 459.980 7.760 50 10 JKGE C[C@H](Cl)c1nc2cc(Br)ccc2n1-c1ccc(I)cc1 36910622 BAGRAFDQQCGNDK-VIFPVBQESA-N 461.528 5.692 50 10 JKGE CCCCOc1ccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4ccccc4)ccc32)cc1OCC 38683973 MRIDLKGYQMCVCQ-HHHXNRCGSA-N 484.552 5.702 50 10 JKGE Cc1c(C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@H]3c2ccc(F)cc2)oc2ccc(Cl)cc12 38688072 BCNFGIXAOMRXFQ-QHCPKHFHSA-N 474.875 5.971 50 10 JKGE CCCOc1ccccc1[C@H]1C(C#N)=C(N)Oc2cc(OC(=O)c3cc4ccccc4oc3=O)ccc21 38700630 XPHUKZLXIPLYEC-AREMUKBSSA-N 494.503 5.019 50 10 JKGE N#C/C(=C/c1c(Oc2ccccc2F)nc2ccccn2c1=O)C(=O)Nc1cccc(C(F)(F)F)c1 39858716 BSFODKYHBUNYJS-QINSGFPZSA-N 494.404 5.190 50 10 JKGE CC(C)Cc1ccc([C@@H](C)C(=O)N/N=C2\C(=O)N(C/C=C/c3ccccc3)c3ccccc32)cc1 59165763 ASDQUMBCERNYBZ-FPOMOASOSA-N 465.597 5.569 50 10 JKGE COc1cc(/C=C(\C#N)C(=O)Nc2cccc([N+](=O)[O-])c2)ccc1OCc1ccc(Cl)cc1Cl 59297496 ISUJGKUNTWQRSX-RQZCQDPDSA-N 498.322 6.035 50 10 JKGE CCCCCCOc1ccc(/C=C\C(=O)Oc2cccc(/C=C(/C#N)C(=O)OCC)c2)cc1OC 98028239 NRRLGTXGLIFBBQ-TYPFADAWSA-N 477.557 5.743 50 10 JKGE CCn1c2ccccc2c2cc(N/C=C(/C#N)c3nc(-c4ccc(Cl)c(Cl)c4)cs3)ccc21 102416599 TVINVXHSZHQQNU-VKAVYKQESA-N 489.431 8.221 50 10 JKGE COc1cccc(OCCn2cc(/C=C(/C#N)C(=O)Nc3nc4ccccc4s3)c3ccccc32)c1 102443740 JBGIBDBWYCHVCE-CYVLTUHYSA-N 494.576 5.884 50 10 JKGE N#C/C(=C/Nc1ccccc1C(F)(F)F)c1nc(-c2ccc(Br)cc2)cs1 102937670 VAVUDKNAHUSJMM-RAXLEYEMSA-N 450.283 6.568 50 10 JKGE N#C/C(=C/c1ccc(-c2cc(Cl)ccc2Cl)o1)c1nc(-c2cc3ccccc3oc2=O)cs1 103148750 IULFIGREFNDAJL-DHDCSXOGSA-N 491.355 7.547 50 10 JKGE Cc1ccc(N/C(SCC(=O)NC2CCCCCCC2)=C(\C#N)c2nc3ccccc3s2)cc1 105838452 USCRJDJXUVVPJO-ROMGYVFFSA-N 490.698 6.871 50 10 JKGE C/C(=C/C[P+](c1ccccc1)(c1ccccc1)c1ccccc1)c1ccc2c(c1)C(C)(C)CS2 106262851 DCUCFOWKMANEPF-DAFNUICNSA-N 479.649 7.467 50 10 JKGE COc1ccc([C@H](Br)c2ccc(F)cc2Br)c(Br)c1 109877205 LMEUFSCKMQCRER-CQSZACIVSA-N 452.943 5.844 50 10 JKGE Clc1ccccc1C[C@@H](Br)c1cc(Br)c(Br)s1 128272532 QJTGLWXDAPXOLU-MRVPVSSYSA-N 459.428 6.605 50 10 JKGE O=[N+]([O-])c1ccc(Br)c(Oc2cc(Br)ccc2CBr)c1 218403018 WBBHQHMTHIYNAZ-UHFFFAOYSA-N 465.923 5.807 50 10 JKGE Clc1cc([C@@H](Cl)c2cc(Br)cc(Br)c2)sc1Br 236030432 LGXLPXFPPLWDKT-JTQLQIEISA-N 479.846 7.017 50 10 JKGE CCCCCCCCCC(=O)NCC(=O)NN=Cc1ccc(OC(=O)c2ccccc2)c(OCC)c1 254439171 MDBJSFGCSWJMOO-UHFFFAOYSA-N 495.620 5.012 50 10 JKGE CCCOc1ccc(C(=O)Oc2ccc(C=NNC(=O)c3cccc4ccccc34)cc2OCC)cc1 254740378 SEXHHSJDIGQMIR-UHFFFAOYSA-N 496.563 6.010 50 10 JKGE O=C(NN=Cc1ccc([N+](=O)[O-])cc1)c1cc(-c2ccccc2OCc2cccc3ccccc23)n[nH]1 254790085 DCHHCUGJVRDHQL-UHFFFAOYSA-N 491.507 5.481 50 10 JKGE COc1ccc(Br)cc1[C@@H](Br)c1cc(Cl)c(C)cc1Br 380350580 FIXNRBFPBOSQJZ-HNNXBMFYSA-N 483.425 6.666 50 10 JKGE CC1(CC(CBr)(CBr)c2ccc(Br)cc2)CCCC1 382266679 OOTKKXUOQGMMIN-UHFFFAOYSA-N 453.056 6.447 50 10 JKGE CC(C)(C)OC(=O)N1C[C@@H](CCl)[C@H](c2cc(Cl)ccc2I)C1 382720394 NDSCGICXGQHWMH-ZWNOBZJWSA-N 456.151 5.134 50 10 JKGE FC1(F)CCCC[C@@H]1[C@@H](Br)c1cc(Br)c(Br)s1 392911161 FJFIKKMKKLRWBC-HZGVNTEJSA-N 452.984 6.535 50 10 JKGE C[C@@H]1CN(Cc2ccccc2)CC[C@@H]1n1c(CCl)nc2cc(I)ccc21 398188626 JNSGLSZNSNUXIS-BEFAXECRSA-N 479.793 5.463 50 10 JKGE CC(C)(C)[Si](C)(C)OCCc1ccc([C@@H]2Cc3ccccc3N(Cc3ccccc3)C2)cc1 616669573 IURRUGLJSMYJCF-MUUNZHRXSA-N 457.734 7.597 50 10 JKGE FC(F)(F)c1csc([C@H](Br)Cc2ccccc2Br)c1Br 692447244 CWODGSPQPITECF-SNVBAGLBSA-N 492.980 6.971 50 10 JKGE C[C@@H](Cl)c1nc2cc(I)ccc2n1CC1CN(Cc2ccccc2)C1 716226015 CHOQOAZVKVQYQY-CQSZACIVSA-N 465.766 5.073 50 10 JKGE FC(F)c1cscc1[C@@H](Br)c1cc(I)cc2c1OCC2 717186714 PSYUGAXZMHGJDE-LBPRGKRZSA-N 471.104 5.710 50 10 JKGE Cc1sc([C@@H](Br)c2ccc(I)cc2)c(C)c1Br 724913398 FVSPQTQMDVIAQK-LBPRGKRZSA-N 486.010 6.216 50 10 JKGE O=C(OCc1ccccc1)N1C[C@@H](CCl)[C@H](c2cc(C(F)(F)F)cc(C(F)(F)F)c2)C1 1614613686 FYEUYEROESPXHA-QAPCUYQASA-N 465.821 6.315 50 10 JKGE C=CCOc1ccccc1[C@@H]1C(C#N)=C(N)Oc2c1c(-c1ccc(OC)cc1)nn2Cc1ccccc1 1865691502 UINUJWFFZGWAHU-AREMUKBSSA-N 490.563 5.390 50 10 JKGE CCCOc1cccc([C@H]2C(C#N)=C(N)Oc3c2c(C(F)(F)F)nn3Cc2cccc(Cl)c2)c1 1865692355 BALWXHOXYGSQMQ-IBGZPJMESA-N 488.897 5.611 50 10 JKGE CCCc1nn(CC)c2c1[C@@H](c1ccc(OCCCc3ccccc3)c(OC)c1)C(C#N)=C(N)O2 1865697445 SOHQUONELWEDGE-VWLOTQADSA-N 472.589 5.094 50 10 JKGE Cn1cc([C@@H]2C(C#N)=C(N)Oc3c2c(-c2ccccc2)nn3Cc2ccc(Cl)cc2)c2ccccc21 1865698821 DCYFLPZLGSXHMR-VWLOTQADSA-N 491.982 5.962 50 10 JKGE Cc1cccc([C@@H]2C(C#N)=C(N)Oc3c2c(-c2ccccc2)nn3Cc2ccccc2Cl)c1 1865710870 KHSOGQWUASPYHV-HSZRJFAPSA-N 452.945 5.778 50 10 JKGE CCCC[C@@H](NC(=O)Cc1nc(-c2ccccc2Cl)oc1C)C(=O)Nc1ccc(SC#N)cc1 1866664585 VTPYKRAJJVTKFV-OAQYLSRUSA-N 497.020 5.733 50 10 JKGE CCCC[C@H](NC(=O)C[C@@H](c1ccc(Cl)cc1)C(C)C)C(=O)Nc1ccc(SC#N)cc1 1866761712 LRZFTCPHDKNPAN-PKTZIBPZSA-N 472.054 6.357 50 10 JKGE N#CSc1ccc(NC(=O)[C@@H](NC(=O)c2cc(-c3ccc(F)c(F)c3)[nH]n2)c2ccccc2)cc1 1867094127 MVPQLVPJWOUGDI-QHCPKHFHSA-N 489.507 5.038 50 10 JKGE COc1c(Cl)cc(Cl)cc1-c1csc(/C(C#N)=C(\O)c2cccc3ccccc23)n1 1872754402 RAHXNPWTOJDNHW-UZYVYHOESA-N 453.350 7.229 50 10 JKGE COc1ccc(Cl)cc1-c1csc(/C(C#N)=C(\O)c2cc(OC)c(OC)c(OC)c2)n1 1872758470 BLORJZBYVZEETL-HKWRFOASSA-N 458.923 5.448 50 10 JKGE CCCCOc1ccc(/C=C(\C#N)c2nc(-c3cc(OCC)ccc3OCC)cs2)cc1OC 1872792722 NYLYXAAFTORMBM-XSFVSMFZSA-N 478.614 6.859 50 10 JKGE CC(C)(SC[C@@H]1C[C@H]1Cl)[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)O 1893108433 SHKJYOZSEOWWHY-LVXYXVKQSA-N 459.995 5.117 50 10 JKGE C[C@@H](Br)CN(Cc1ccccc1)C(=O)c1ccc(I)c(Cl)c1 1914611812 ABIQERXFLRNNPY-GFCCVEGCSA-N 492.582 5.370 50 10 JKGE FC(F)(F)c1cnc(N(Cc2ccccc2)C2(CCl)CCC2)c(I)c1 1915767981 FJYSTKBWBVSWNG-UHFFFAOYSA-N 480.699 5.873 50 10 JKGE Clc1ccc(Cl)c([C@H](Br)c2sc(Br)cc2Br)c1 1922935338 ORYIHTOCTZQJFA-JTQLQIEISA-N 479.846 7.064 50 10 JKGE Fc1cccc([C@@H](Cl)c2sc(Br)cc2Br)c1Br 1922944430 YQZOYEIWUYTHNO-SNVBAGLBSA-N 463.391 6.503 50 10 JKGE Cc1ccc([C@@H](Cl)c2c(Br)sc(Br)c2Cl)cc1Br 1923040850 XFUYPUWGTKTXDW-SECBINFHSA-N 493.873 7.326 50 10 JKGE CCC(CC)[C@H](Br)c1c(Br)sc(Br)c1Br 1924575958 HWFHIYBSASLCKZ-ZETCQYMHSA-N 483.889 6.908 50 10 JKGE CCCCCCC[C@@H](Cl)c1c(Br)sc(Br)c1Br 1924584107 TXWSDWUMMZYFSO-MRVPVSSYSA-N 467.492 7.676 50 10 JKGE Fc1cc(F)c([C@@H](Cl)c2c(Br)sc(Br)c2Br)c(F)c1 1924601292 WNKJWNPDBJRGGD-SECBINFHSA-N 499.371 6.781 50 10 JKGE Cc1cc(Br)c(F)c([C@@H](Br)Cc2ncccc2Br)c1 1924875188 HNZLCCQLSPFCSO-NSHDSACASA-N 451.959 5.733 50 10 JKGE Cc1cccc([C@H](Br)c2c(Cl)sc(Br)c2Cl)c1Br 1925586932 FCRGGSWCFJKBSR-VIFPVBQESA-N 493.873 7.373 50 10 JKGE Clc1sc(Br)c(Cl)c1[C@H](Cl)c1ccc(OCc2ccccc2)cc1 1925597254 CIVDILSPSRCISG-OAHLLOKOSA-N 462.623 7.725 50 10 JKGE COc1cc(C=C(C#N)c2nc3ccccc3s2)ccc1OCc1cccc(C(F)(F)F)c1 2040446959 MQRKVWOAOBXXAG-UHFFFAOYSA-N 466.484 6.967 50 10 JKGE N#CC(=Cc1ccc(OCc2ccccc2)c(Br)c1)c1nc(-c2ccccc2)no1 2040454890 IZLQCYRMECZIIN-UHFFFAOYSA-N 458.315 6.142 50 10 JKGE C[C@H]1C[C@H](N(C)c2cc(Br)cc(F)c2CBr)CN1Cc1ccccc1 2051133950 ZPPZDSKTLMOCBI-YOEHRIQHSA-N 470.224 5.582 50 10 JKGE Cc1oc(Br)cc1[C@H](Br)c1cc(Br)c2c(c1)CCO2 2090463587 IYAZRGFLQLPREP-CYBMUJFWSA-N 450.952 5.532 50 10 JKGE C[C@@H]1CCC[C@](CBr)(Cc2cc(Cl)ccc2I)CC1 2100839647 USASJTKDULXVRM-MLGOLLRUSA-N 455.605 6.469 50 10 JKGE BrCc1cc(Br)cc(Br)c1OC[C@H]1C[C@H]2CC[C@H]1O2 2111775223 WHQQMMLLZFPEHJ-IRUJWGPZSA-N 454.984 5.053 50 10 JKGE Cc1cc(Br)c([C@H](Br)[C@@H]2CCCC(C)(C)C2)cc1Br 2112309336 CQIWVFSQVYRBBN-IAQYHMDHSA-N 453.056 7.172 50 10 JKGE CC[C@H](Br)[C@@H]1CCCCN1Cc1ccc(Br)cc1Br 2114190485 UFPXKFZELONXOL-ZFWWWQNUSA-N 454.044 5.740 50 10 JKGE BrCCN(Cc1ccsc1)Cc1cccc(Br)c1Br 2114660023 QDTISLSQDSKXKH-UHFFFAOYSA-N 468.052 5.670 50 10 JKGE Cc1cc(Br)c(C)c([C@H](Br)c2cccc(Cl)c2)c1Br 2136379796 OEJPXGDCDIFSKM-OAHLLOKOSA-N 467.426 6.966 50 10 JKGE Cc1cc(Br)c(C)c([C@@H](Cl)c2cc(Br)n(C)n2)c1Br 2136384863 VHAPHPWANKTWID-ZDUSSCGKSA-N 471.418 5.653 50 10 JKGE CC(C)(C)OC(=O)N1CCC[C@](CI)(O[C@@H]2CCC[C@@H]3CCCC[C@@H]32)C1 2136423418 MVVKSGCYPPLKEO-LXGFNABISA-N 477.427 5.567 50 10 JKGE CCn1cc(Br)c([C@H](Br)c2cc(Br)c(Cl)cc2C)n1 2137642908 MWPFASYNNQDMKI-GFCCVEGCSA-N 471.418 5.874 50 10 JKGE COc1cc(F)c([C@H](Br)c2scc(C)c2Br)cc1Br 2138147814 GFFDZHVEHWOPIR-LBPRGKRZSA-N 472.999 6.214 50 10 JKGE Cc1c(Br)ccc([C@H](Cl)c2c(Cl)cccc2Br)c1Br 2138867184 RCUIYDTZYPLTTN-AWEZNQCLSA-N 487.844 7.264 50 10 JKGE CCc1ccccc1COc1c(Br)cc(Br)cc1CBr 2144003745 DYECFRPASVCBDN-UHFFFAOYSA-N 463.007 6.248 50 10 JKGE Fc1cc(F)c(F)c([C@H](Br)c2c(Br)cccc2Br)c1F 2150494418 HYHKKGCPPXLMHO-LLVKDONJSA-N 476.887 6.252 50 10 JKGE ClCCc1nc2cc(Br)c(Cl)cc2n1[C@H]1CCCN(Cc2ccccc2)C1 2159874689 PQLBSWRPHRWEEF-INIZCTEOSA-N 467.238 6.071 50 10 JKGE C[C@H](Cl)c1nc2cc(Cl)c(Br)cc2n1[C@H]1C[C@H](C)N(Cc2ccccc2)C1 2169011190 YHLZHQOJDPKSKR-DZKIICNBSA-N 467.238 6.588 50 10 JKGE CCc1nc([C@H](Br)c2cc3c(cc2Br)OCC3)c(Br)s1 2169489748 HKTJEMMWIPKDPI-GFCCVEGCSA-N 482.035 5.650 50 10 JKGE COc1c(C)cc(Br)c(C)c1[C@@H](Br)c1nc(C)sc1Br 2169495300 LDTFLAKSPBWIGF-LLVKDONJSA-N 484.051 6.086 50 10 JKGE C[C@@H](Br)CCCc1cn(-c2ccc(Cl)c(I)c2Cl)nn1 2189277294 CKITZCVNCRPTSH-MRVPVSSYSA-N 488.982 5.285 50 10 JKGE Cc1cc(Br)c(C)c([C@H](Br)c2cccc(F)c2Cl)c1Br 2201068243 DXFJAEUJYPKKFW-CQSZACIVSA-N 485.416 7.105 50 10 JKGE Cc1cc(Br)c(C)c([C@H](Br)C[C@H]2COC(C)(C)C2)c1Br 2201076545 GSSGLLDTQJTRGL-DGCLKSJQSA-N 469.055 6.470 50 10 JKGE COc1ccc([C@@H](Br)c2ccc(Cl)c(Br)c2)c(Cl)c1Cl 2203432742 JJSXVPSYSDCRJL-LBPRGKRZSA-N 459.392 6.902 50 10 JKGE Cc1cc(Br)c([C@@H](Br)c2ccc(Br)cc2)c(C)c1Cl 2224316243 BPHBAFUNZRHNQZ-AWEZNQCLSA-N 467.426 6.966 50 10 JKGE FC(F)(F)CCC[C@@H](Br)c1c(Br)cc(Cl)c(Cl)c1Cl 2224317502 OARGEAXKDYMFLV-RXMQYKEDSA-N 463.346 7.578 50 10 JKGE O=C(Nc1ccc(Br)cc1I)c1ccc(CCl)cc1 2231447506 WXOVTHBUUSGIQS-UHFFFAOYSA-N 450.501 5.045 50 10 JKGE C[C@@H](Cl)c1nc2cc(Br)c(F)cc2n1C[C@@H]1CC1(Br)Br 2233042536 XAEKOTNCPGKXLD-RQJHMYQMSA-N 489.408 5.744 50 10 JKGE COC[C@]1([C@H](Br)c2c(Br)cc(C)c(Br)c2C)CCCO1 2235616055 XTQNRZCDEDXPQO-CABCVRRESA-N 471.027 5.460 50 10 JKGE Clc1c(Br)sc(Br)c1[C@@H](Cl)c1cc(Br)co1 2244222315 LWASQBXHTYSFDY-LURJTMIESA-N 469.807 6.610 50 10 JKGE COc1ccc([C@@H](Cl)c2ccc(F)c(Br)c2)cc1I 2269538615 BNKZPSXBSIRXBA-AWEZNQCLSA-N 455.492 5.530 50 10 JKGE C[C@@H]1CCC[C@@]12[C@@H](Oc1cc(I)ccc1Cl)C[C@H]2Br 2272639816 VFYMWBSBKYBTAH-ZAOWEBSESA-N 455.561 5.666 50 10 JKGE Cc1ccc([C@@H](Br)c2c(F)cc(Br)c(F)c2Br)cc1 2272727495 UQNZRENWYSVWNH-GFCCVEGCSA-N 454.934 6.283 50 10 JKGE CC[C@@H](CC(C)C)[C@@H](Br)c1c(F)cc(Br)c(F)c1Br 2272853945 MKLXEBVTGFCHAN-QPUJVOFHSA-N 462.998 6.998 50 10 JKGE Fc1cccc([C@H](Cl)c2c(F)cc(Br)c(F)c2Br)c1Br 2288497821 YMVZYIAGBFIYKL-LBPRGKRZSA-N 493.342 6.720 50 10 JKGE COc1cc(Cl)c([C@H](Br)c2cc(Br)c(Cl)s2)c(OC)c1 2294893797 BNHTYSHKOKDGSQ-GFCCVEGCSA-N 461.002 6.319 50 10 JKGE Cc1ccc([C@H](Cl)Cc2cc(Br)cc(Br)c2)c(C)c1Br 2295264361 FBPUHLMXLKMZJG-OAHLLOKOSA-N 481.453 7.114 50 10 JKGE COc1cc(C)c(Cl)cc1[C@@H](Br)c1cccc(C)c1I 2295377988 KTLNYDASXHVFMQ-HNNXBMFYSA-N 465.556 6.054 50 10 JKGE COc1ccc(Br)cc1[C@@H](Br)c1cc2sc(Br)cc2s1 2295510485 YKMWAHCXHQOACX-CQSZACIVSA-N 497.071 6.981 50 10 JKGE CCCCOc1cccc(-c2nn(-c3ccccc3)cc2C=C(C#N)c2nc(O)c3ccccc3n2)c1 2296546321 UVHBAUDLXYCFHA-UHFFFAOYSA-N 487.563 6.431 50 10 JKGE Cc1ccc(NC(SCc2ccc(F)cc2)=C(C#N)S(=O)(=O)c2ccccc2)c(C)c1 2297349920 BUWKJEVVBYGBHQ-UHFFFAOYSA-N 452.576 5.954 50 10 JKGE C=CCc1cc(C=C(C#N)C(=O)N2CCN(c3ccccc3)CC2)ccc1OCc1cccc(C)c1 2313568655 XPMVTXYASIMHPI-UHFFFAOYSA-N 477.608 5.558 50 10 JKGE N#CC(=Cc1ccc(OCc2cccc(Cl)c2)cc1)C(=O)Nc1cccc(Cl)c1Cl 2313631249 MTGJITGMVURDHC-UHFFFAOYSA-N 457.744 6.771 50 10 JKGE CCC1CCC([C@H](Br)c2ccc(OCc3ccccc3)cc2Br)CC1 2314449592 RDSAJNUKFFHZBM-QRFVXNFXSA-N 466.257 7.681 50 10 JKGE CCc1nc([C@H](Br)c2c(Cl)sc(Cl)c2C)c(Br)s1 2314526041 QFQUJVYNVIXTDX-SSDOTTSWSA-N 450.048 6.629 50 10 JKGE Cc1ccc(Oc2nc3c(C)cccn3c(=O)c2C=C(C#N)C(=O)Nc2ccc(Cl)cc2)cc1 2314532542 KTAZIABFDRADHF-UHFFFAOYSA-N 470.916 5.303 50 10 JKGE Cc1ccc(N2C(=O)[C@H](Cc3cccc(Cl)c3)SC2=C(C#N)C(=O)NCc2ccco2)cc1C 2314593624 QBFIXXSEVHEOCI-QHCPKHFHSA-N 492.000 5.293 50 10 JKGE CCOC(=O)C(C#N)=Cc1ccc(OC(=O)COc2ccc(C)cc2C(C)(C)C)c(OCC)c1 2314735978 MPPSEAJRZLTPOR-UHFFFAOYSA-N 465.546 5.146 50 10 JKGE CCOC(=O)C(C#N)=Cc1cccc(OC(=O)CCCOc2ccc(CC)cc2Br)c1 2314770572 JMPGGHZQPVNOKI-UHFFFAOYSA-N 486.362 5.246 50 10 JKGE Fc1c(Br)cc(Cl)c([C@@H](Br)C(F)(F)C2CC2)c1Br 2315461286 RWTIZKGSSLPROJ-SNVBAGLBSA-N 471.336 6.485 50 10 JKGE FC(F)(F)c1sccc1[C@@H](Br)c1sc(Cl)cc1I 2316776680 FQGRCZAUDPXACP-SSDOTTSWSA-N 487.531 6.571 50 10 JKGE COc1ccc(C(C#N)=Cc2ccc(OC(=O)C=Cc3ccc(C)cc3)c(OC)c2)cc1OC 2320507068 YADZFRNOTGCNTH-UHFFFAOYSA-N 455.510 5.704 50 10 JKGE CCCCCCCCCOc1ccc(C=NNC(=O)Cc2ccc(Cl)cc2)cc1OCC 2323345277 GTCMLUFOQDSJQU-UHFFFAOYSA-N 459.030 6.561 50 10 JKGE CC(C)(C)[C@](C)(CBr)COc1cc(Br)cc(I)c1 2327106158 KOMXGHHNTZOTEB-CQSZACIVSA-N 490.017 5.880 50 10 JKGE CCOc1ccc(C=C(C(O)=C(C#N)c2nc(-c3ccccc3)cs2)c2ccccc2)cc1 2331304207 RBPLHVLITSVWTD-UHFFFAOYSA-N 450.563 7.242 50 10 JKGE CC(C)(C)c1csc(C(C#N)=C(O)c2ccc(N3COc4ccc5ccccc5c4C3)cc2)n1 2331306293 TVHZMTBFVMVICH-UHFFFAOYSA-N 467.594 6.900 50 10 JKGE CCCOc1ccc(-c2csc(C(C#N)=C(O)C(=Cc3ccccc3)c3ccccc3)n2)cc1 2331318438 LAVYPNKGRHVBLT-UHFFFAOYSA-N 464.590 7.632 50 10 JKGE N#CC(=C(O)C=Cc1ccc(OCc2ccccc2Cl)cc1)c1nc(-c2ccc(F)cc2)cs1 2331343859 YZGHQOVSYAGQLT-UHFFFAOYSA-N 488.971 7.688 50 10 JKGE COc1cc(C)c(-c2csc(C(C#N)=C(O)c3ccc(N(C)C)c([N+](=O)[O-])c3)n2)cc1C(C)C 2331356028 GTOBQQNDRIMHRO-UHFFFAOYSA-N 478.574 6.175 50 10 JKGE COc1ccc(C=CC(O)=C(C#N)c2nc(-c3cc(Cl)cc(Cl)c3OC)cs2)cc1 2331362612 HWYPMCSYUGJDBD-UHFFFAOYSA-N 459.354 6.640 50 10 JKGE COc1cc(OC)c(-c2csc(C(C#N)=C(O)c3ccc(Cl)c(Cl)c3)n2)cc1Cl 2331377613 SIEYTKVIDNMCSA-UHFFFAOYSA-N 467.761 6.737 50 10 JKGE CCCOc1c(C=C(C#N)c2nc(-c3ccc(Br)cc3)cs2)cccc1OC 2331429768 AXSXVIMQICYWDU-UHFFFAOYSA-N 455.377 6.434 50 10 JKGE Cc1ccccc1COc1ccc(C=C(C#N)c2nc(-c3ccc([N+](=O)[O-])cc3)cs2)cc1 2331434394 VDIYHDHHDSAILJ-UHFFFAOYSA-N 453.523 6.670 50 10 JKGE C=C(CO)[C@@H]1CC[C@@H]2[C@]3(C)CC[C@H]([C@H](C)CCC=C(C)C=O)[C@]3(C)CC[C@@]23C[C@]13CCC(=O)O 2333297252 IOFXIXOKOAYADV-GLVMAHCGSA-N 470.694 6.580 50 10 JKGE CC1(C)C[C@@H]1CC[C@@H](Br)c1c(Cl)cc(Br)c(F)c1Br 2337082006 GJWQQQWUBAKGHK-JGVFFNPUSA-N 477.437 7.266 50 10 JKGE CC1(C)C([C@@H](Br)c2c(Cl)cc(Br)c(F)c2Br)C1(C)C 2337092048 KUTSQMWQGSLUGN-JTQLQIEISA-N 477.437 7.122 50 10 JKGE Fc1ccccc1[C@@H](CCl)Cc1ccc(I)c(Br)c1 2349840019 BWQBXEGOUREHKY-LLVKDONJSA-N 453.520 5.758 50 10 JKGE Fc1c(Br)cc(Cl)c([C@H](Br)C2CC(C3CCC3)C2)c1Br 2362227552 GTJJMBITRCBHFB-KJHLLKJSSA-N 489.448 7.266 50 10 JKGE COc1c(Br)cc([C@H](Br)c2cnsc2Br)c(OC)c1C 2362499959 AUDQAZHDNCPZTK-JTQLQIEISA-N 486.023 5.478 50 10 JKGE Cc1cc(Br)c(C(C)C)cc1[C@H](Br)c1scc(Br)c1C 2380927326 NQRSEOQGHWWTHR-HNNXBMFYSA-N 481.091 7.498 50 10 JKGE Cc1cc(Br)c(C(C)C)cc1[C@@H](Br)c1c(Br)ncn1C 2380951642 JQCLSXWWFQPJSR-CYBMUJFWSA-N 465.027 5.861 50 10 JKGE N#C/C(=C\Nc1cc(C(F)(F)F)cc(C(F)(F)F)n1)C(=O)c1cccc(C(F)(F)F)c1 2157164 KPOSZQDLDSJCHC-CSKARUKUSA-N 453.264 5.840 50 10 JKGE COc1ccc(/C(C#N)=C\c2cccc(OC(=O)[C@@H](C)Oc3ccc(Cl)cc3Cl)c2)cc1OC 31902957 SLHRCVTWRYQLSM-VXIUPONVSA-N 498.362 6.448 50 10 JKGE CCN(CC)c1ccc(/C=C(/C#N)c2nc3ccc(C)cc3[nH]2)c(OCc2ccc(Cl)cc2)c1 34856465 IMHMYFDRVCRITL-JCMHNJIXSA-N 471.004 7.014 50 10 JKGE N#C/C(=C/c1c[nH]nc1-c1cccc([N+](=O)[O-])c1)c1nc(-c2ccc(Br)cc2)cs1 35518532 BTBQEPJHRREBSB-NVNXTCNLSA-N 478.331 5.935 50 10 JKGE CCCOc1ccc(-c2nn(-c3ccccc3)cc2/C=C2/C(=O)N(C(C)C)C(=O)C(C#N)=C2C)c(C)c1 38604324 AMCTXOKDMIDKJJ-WGOQTCKBSA-N 494.595 5.637 50 10 JKGE COc1ccc(OCC(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@H]3c2ccc(C(C)(C)C)cc2)cc1 38649760 VLGYRJSTXFFGEM-MHZLTWQESA-N 484.552 5.195 50 10 JKGE CCCCOc1ccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)COc4ccccc4)ccc32)cc1 38650770 UOFKAULAIPUSTI-MHZLTWQESA-N 470.525 5.068 50 10 JKGE CCCCOc1ccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)COc4cc(C)cc(C)c4)ccc32)cc1 38650843 AKRDCNODJZCJML-GDLZYMKVSA-N 498.579 5.685 50 10 JKGE Cc1cc(OCC(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@@H]3c2ccc(F)cc2)cc(C)c1Cl 38652906 MILOULXMKNMCJI-XMMPIXPASA-N 478.907 5.299 50 10 JKGE CCCCOc1ccccc1C(=O)Oc1ccc2c(c1)OC(N)=C(C#N)[C@@H]2c1cccc(OCC)c1 38685002 RZRTXBKVINEDDH-HHHXNRCGSA-N 484.552 5.702 50 10 JKGE CCCCCOc1ccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4cccs4)ccc32)cc1 38685368 UYSUDSUNKCJSHN-XMMPIXPASA-N 460.555 5.754 50 10 JKGE Cc1ccc2oc(C(=O)Oc3ccc4c(c3)OC(N)=C(C#N)[C@@H]4c3cccc(Cl)c3)c(C)c2c1 38687738 XUTLQHOUTHMLED-XMMPIXPASA-N 470.912 6.140 50 10 JKGE CCCCC1CCC(C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@@H]3c2ccc(Cl)cc2Cl)CC1 38688300 PRHGMOWASFKXQP-WFUJHSFVSA-N 499.438 7.114 50 10 JKGE Cc1c(C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@@H]3c2c(F)cccc2Cl)oc2ccccc12 38700592 BYDQTDKGXHHUBS-JOCHJYFZSA-N 474.875 5.971 50 10 JKGE C=CCNC(=O)/C(C#N)=C\c1cn(-c2ccccc2)nc1-c1ccc(OCc2ccccc2Cl)cc1 39729093 BUXCGBZAEJZHAB-QJOMJCCJSA-N 494.982 5.981 50 10 JKGE N#C/C(=C\c1ccc(-c2ccc(Cl)cc2Cl)o1)C(=O)Nc1cc(Cl)cc(Cl)c1 39884638 XUNCOGOHJLDHDI-VZUCSPMQSA-N 452.124 7.106 50 10 JKGE CCCCCOc1ccc(C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@@H]3c2cccc(OC)c2)cc1 40527352 VIHTULRMZBNGNM-HHHXNRCGSA-N 484.552 5.702 50 10 JKGE C=CCOc1cccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)Cc4cccc5ccccc45)ccc32)c1 40529878 NCRSSJMZJXOEQZ-SSEXGKCCSA-N 488.543 5.771 50 10 JKGE COc1cc(/C=N/NC(=O)[C@@H](C)Oc2ccc(C(C)(C)C)cc2)ccc1OCc1ccccc1Cl 40961452 LMIOFVJKHZLFLD-ZXAKHJNPSA-N 495.019 6.143 50 10 JKGE Cc1sc(/N=C(O)/C(C#N)=C/c2ccc(Cl)cc2)nc1-c1ccc(Br)cc1 41013095 ZXIPCZSVPJTYOY-XNTDXEJSSA-N 458.768 6.730 50 10 JKGE C=CCOc1c(Cl)cc(/C=N/NC(=O)c2cc3cc(Br)ccc3o2)cc1Cl 59304763 KFHJXVXLIKHBSU-AUEPDCJTSA-N 468.134 5.831 50 10 JKGE Cc1ccc(OCCOc2ccc(/C=C(/C#N)C(=O)Nc3nc4ccccc4s3)cc2)c(C)c1 102444146 ZMRGPNFFYQKFAV-PGMHBOJBSA-N 469.566 5.917 50 10 JKGE Clc1ccc(Br)cc1[C@@H](Br)Cc1cccc(Br)c1 104175501 ZIDWDEDKFRBOGC-ZDUSSCGKSA-N 453.399 6.544 50 10 JKGE Cc1ccccc1N/C(SCc1cccc(Br)c1)=C(\C#N)C(=O)NCc1ccco1 105422582 JXXDRKXSVXAVRJ-ATJXCDBQSA-N 482.403 5.747 50 10 JKGE COc1cc(C)c(Br)cc1[C@H](Br)c1ccc(Br)s1 115070289 KRYUZIMPXXARRS-ZDUSSCGKSA-N 455.009 6.074 50 10 JKGE Cc1nn(C)c(CC(CCl)(CCl)c2ccc(Br)cc2)c1Br 118874679 XDRVLZUSRSRNFO-UHFFFAOYSA-N 455.021 5.212 50 10 JKGE Cc1ccc([C@@H](Cl)c2cc(Br)c(C)cc2Br)cc1Br 130499587 ONLODYBKQXVPKB-OAHLLOKOSA-N 467.426 6.919 50 10 JKGE COc1cc(/C=C(/C#N)C(=O)NC(C)C)ccc1OC(=O)CCCOc1ccc(C(C)C)c(C)c1 207298058 PWYRGLVLCGCGMG-JCMHNJIXSA-N 478.589 5.323 50 10 JKGE CCCOc1ccc([C@H](Br)c2ccc(Br)cc2Cl)cc1Br 229010062 MICCHOVHRDOEKL-INIZCTEOSA-N 497.452 7.138 50 10 JKGE Cc1cc(C)c(C)c([C@@H](Br)c2ccc(I)c(Cl)c2)c1C 232343020 JYHRANNMLKBCBW-KRWDZBQOSA-N 463.584 6.663 50 10 JKGE Cc1cc(Br)c([C@@H](Cl)c2ccc(I)c(Cl)c2)s1 232344284 DGKHBDSBPGZOID-NSHDSACASA-N 461.977 6.405 50 10 JKGE CCC(C)(C)c1ccc([C@H](Br)c2cc(Br)sc2Br)cc1 232854155 FKPRIDIPRAXPQW-AWEZNQCLSA-N 481.091 7.445 50 10 JKGE ClCc1cc(Br)c(OCc2cccc(Br)c2)c(Br)c1 236020659 NSPDURDUXPAHQV-UHFFFAOYSA-N 469.398 6.292 50 10 JKGE CC(C)(C)c1ccc(-c2nnc(SCC(=O)NN=Cc3ccc(O)cc3)n2-c2ccccc2)cc1 254309810 XYCJQTAQLAFHMF-UHFFFAOYSA-N 485.613 5.180 50 10 JKGE CC(=NNC(=O)[C@@H]1COc2ccccc2O1)c1ccc2c(c1)[C@@H]1C=CC[C@@H]1[C@@H](c1ccccc1)N2 254876229 MDEVGSRYRLSVOE-BYXJMBFLSA-N 465.553 5.193 50 10 JKGE Cc1ccnc(NC(=O)[C@@]23CC[C@@](C(Br)Br)([C@H]2Br)C3(C)C)c1 256019122 MOXYJCWMQQORPV-XFBWCDHKSA-N 495.053 5.014 50 10 JKGE C[C@]12CC[C@@H]3c4ccc(O)cc4C[C@H](CCCCCCCCCBr)[C@@H]3[C@H]1CC[C@@H]2O 257048135 ILWDBZWOZQESSY-ITLKMZFASA-N 477.527 7.351 50 10 JKGE FC(F)(F)c1csc([C@H](Br)c2cccc(Br)c2)c1Br 311661565 JZLBRSHAULWCKU-SECBINFHSA-N 478.953 6.776 50 10 JKGE FC1(F)CCC[C@@H](COc2c(Br)cc(CBr)cc2Br)C1 312129710 NSISRRDUOHDTQY-SECBINFHSA-N 476.981 6.311 50 10 JKGE C[C@@H](Cl)c1nc2cc(Br)c(F)cc2n1C[C@@H]1CCN(Cc2ccccc2)C1 380170045 BAHOGHJCPFLYDX-GDBMZVCRSA-N 450.783 5.760 50 10 JKGE Cc1ccc(CCOc2c(Br)cc(Br)cc2CBr)nc1 399690320 GJTJDXTWVWHFEU-UHFFFAOYSA-N 463.995 5.431 50 10 JKGE Brc1cc([C@@H](Br)c2cc(Br)c3c(c2)CCCO3)co1 689545658 QQWJRNHESLEWKF-ZDUSSCGKSA-N 450.952 5.614 50 10 JKGE BrCc1c(Br)cccc1N1CCC2(CCN(Cc3ccccc3)CC2)CC1 691941791 UKKKKZZBHVBION-UHFFFAOYSA-N 492.299 6.227 50 10 JKGE Fc1cc(Br)c([C@@H](Cl)c2scc(Br)c2Br)c(F)c1F 705475127 JDIMJOHKPXEGGD-MRVPVSSYSA-N 499.371 6.781 50 10 JKGE BrC[C@@H](Cc1cccc(Br)c1)Cc1ncc(Br)s1 713619547 XGSJMTTYSCUDJX-JTQLQIEISA-N 454.025 5.464 50 10 JKGE Clc1cc(Cl)c(OCc2cccc(Cl)c2Br)c(CBr)c1 719384444 OBLUBDCLRFISOX-UHFFFAOYSA-N 459.392 6.883 50 10 JKGE COc1cccc(C(CSc2nc3ccccc3s2)=NNC(=O)c2cccc([N+](=O)[O-])c2)c1 1084053460 OFPAMZBWUCPZIQ-UHFFFAOYSA-N 478.555 5.140 50 10 JKGE CCOc1ccc([C@H](O)CCC(=O)NN=Cc2ccc(OCc3ccc(C)cc3)c(OCC)c2)cc1 1084079209 GQUIYJVJEDKONW-AREMUKBSSA-N 490.600 5.335 50 10 JKGE CCc1ccc(NC(=O)/C(C#N)=C\c2ccccc2OCc2ccc(Cl)cc2Cl)cc1 1084120390 IMIRXGYDYXQHPL-MOSHPQCFSA-N 451.353 6.680 50 10 JKGE Cc1ccc(CSCC(=O)NN=Cc2c(Br)c(C)n(-c3ccc(C)c(C)c3)c2C)cc1 1084266817 NQLJCFBHQFREKZ-UHFFFAOYSA-N 498.490 6.165 50 10 JKGE O=C(Cn1c(C(F)(F)F)nc2ccccc21)NN=Cc1ccccc1OCc1ccccc1Cl 1084321722 ICGPLAGXASMFDS-UHFFFAOYSA-N 486.881 5.438 50 10 JKGE CC(=NNC(=O)c1ccc(CSc2ccccc2)cc1)c1cccc(NC(=O)c2ccccc2)c1 1084420345 XIXYLGWBAWNDCD-UHFFFAOYSA-N 479.605 6.385 50 10 JKGE C=CCOc1ccccc1C=NNC(=O)c1ccc(NC(=O)c2ccc(C(C)(C)C)cc2)cc1 1084614558 NOCJSSVKDFIBAG-UHFFFAOYSA-N 455.558 5.565 50 10 JKGE C=CCc1cc(C=NNC(=O)CC[C@@H](O)c2ccc(OCC)cc2)ccc1OCc1ccccc1 1084638979 RSEORYVCMAIUQZ-HHHXNRCGSA-N 472.585 5.357 50 10 JKGE CC(C)(C)OC(=O)N1C[C@@H](CI)[C@@H](c2ccc(C(F)(F)F)cc2)C1 1614808318 ZITAIHAKEKOJEE-TZMCWYRMSA-N 455.258 5.091 50 10 JKGE CCN(CC)S(=O)(=O)c1ccc(C(=O)Oc2cccc(/C=C(\C#N)c3ccc(OC)cc3)c2)cc1 1615066379 DVFLMELDNMMYII-HAVVHWLPSA-N 490.581 5.009 50 10 JKGE Cc1c(C(=O)NCc2ccccc2Cl)oc2c1C(=NNC(=O)c1ccccc1Cl)CCC2 1772743872 KOBQAXHKVNTRQA-UHFFFAOYSA-N 470.356 5.295 50 10 JKGE Cc1cc(C)c2c(CC(=O)NN=C3CCCc4oc(C(=O)NCc5ccccc5)c(C)c43)coc2c1 1772751964 QBYNDFHEZWUJBL-UHFFFAOYSA-N 483.568 5.280 50 10 JKGE Cc1c(C(=O)Oc2ccc(Cl)cc2Cl)oc2c1C(=NNC(=O)c1ccccc1O)CCC2 1772752190 YAWSJBBYBOYVMG-UHFFFAOYSA-N 473.312 5.290 50 10 JKGE COc1ccc(-c2nn(Cc3ccc(F)cc3)c3c2[C@H](c2ccccc2Cl)C(C#N)=C(N)O3)cc1 1865686133 RTRGLGFNKLVDAA-HSZRJFAPSA-N 486.934 5.618 50 10 JKGE COc1ccc(-c2nn(Cc3cc(C)ccc3C)c3c2[C@H](c2ccccc2Cl)C(C#N)=C(N)O3)cc1 1865686160 RZTGKGRHIPNQNJ-RUZDIDTESA-N 496.998 6.095 50 10 JKGE CCc1nn(Cc2ccccc2)c2c1[C@H](c1ccc(OCc3ccccc3)c(OC)c1)C(C#N)=C(N)O2 1865687620 WCAIJOXVNWHOSG-HHHXNRCGSA-N 492.579 5.300 50 10 JKGE COc1ccc2ccccc2c1[C@H]1C(C#N)=C(N)Oc2c1c(-c1ccccc1)nn2-c1ccccc1 1865688442 SBBSYCRCJODRIB-AREMUKBSSA-N 470.532 5.919 50 10 JKGE CCOc1ccc([C@H]2C(C#N)=C(N)Oc3c2c(C)nn3Cc2ccc(Cl)c(Cl)c2)cc1OCC 1865690019 ZCYQVSHENDOAOJ-QHCPKHFHSA-N 499.398 5.562 50 10 JKGE CCCn1nc(C(F)(F)F)c2c1OC(N)=C(C#N)[C@H]2c1ccc(OCc2ccc(C)cc2)c(OC)c1 1865694861 DIPZOLXPDNQIPY-OAQYLSRUSA-N 498.505 5.426 50 10 JKGE CCn1nc(-c2ccccc2)c2c1OC(N)=C(C#N)[C@H]2c1ccc(OCc2ccc(C)cc2)c(OC)c1 1865695150 LGWGWBRCXBLTAL-AREMUKBSSA-N 492.579 5.684 50 10 JKGE CCc1nn(Cc2ccc(Cl)c(Cl)c2)c2c1[C@H](c1c[nH]c3ccccc13)C(C#N)=C(N)O2 1865699836 DLGIKKCIGZAGBJ-NRFANRHFSA-N 464.356 5.500 50 10 JKGE COc1ccc([C@H]2C(C#N)=C(N)Oc3c2c(-c2ccccc2)nn3Cc2cc(C)ccc2C)cc1OC 1865707145 PALUSTRCAUKFMG-SANMLTNESA-N 492.579 5.451 50 10 JKGE CCc1nn(Cc2ccccc2F)c2c1[C@H](c1cccc(OCc3ccccc3)c1)C(C#N)=C(N)O2 1865711826 IUOPRPSFHRQJGH-AREMUKBSSA-N 480.543 5.430 50 10 JKGE Cc1ccc(-c2ccc(C(=O)NNC(=O)c3cc(C(F)(F)F)cc(C(F)(F)F)c3)c(C)n2)cc1C 1865756346 TUFLHZCAQBUSHQ-UHFFFAOYSA-N 495.423 5.786 50 10 JKGE COc1ccc([C@@H](C(=O)N[C@H](C(=O)Nc2ccc(SC#N)cc2)c2ccccc2)C2CCCC2)cc1 1867012359 XQHCRMQWTITUJJ-SVBPBHIXSA-N 499.636 6.038 50 10 JKGE N#C/C(=C(/O)Cc1ccc(OCc2ccccc2)cc1)c1nc(-c2ccc3c(c2)CCCC3)cs1 1872745401 LLOONNZOQXWFHM-OHYPFYFLSA-N 478.617 7.303 50 10 JKGE COCCCN1C(=O)c2ccc(/C(O)=C(\C#N)c3nc(-c4cccc5ccccc45)cs3)cc2C1=O 1872752639 MDSOZULOPVVPTD-BZZOAKBMSA-N 495.560 5.546 50 10 JKGE COc1ccc(OCCC/C(O)=C(\C#N)c2nc(-c3ccc(OC)c(C)c3C)cs2)cc1 1872754520 WTHGVOLDJHRUDO-LNVKXUELSA-N 450.560 6.096 50 10 JKGE CCOc1ccc(-c2csc(/C(C#N)=C(\O)c3ccccc3C(=O)c3ccccc3)n2)c(OCC)c1 1872755592 VMVLZOJCDHITOH-COOPMVRXSA-N 496.588 6.788 50 10 JKGE COC[C@@H]1C[C@H]1[C@@H](Br)c1c(Br)sc(Br)c1Cl 1896490490 HKHORTNIDNYSKZ-HBPOCXIASA-N 453.421 5.645 50 10 JKGE Cc1scc([C@@H](Cl)c2sc(Br)cc2Br)c1Br 1902875698 IMLSIITWZCZRMI-SECBINFHSA-N 465.457 6.734 50 10 JKGE CC1CC(CBr)(Cc2ccc(I)c(Br)c2)C1 1904344511 VVZPIZYPVWSMQH-UHFFFAOYSA-N 457.975 5.407 50 10 JKGE C[C@H](CBr)N(Cc1ccccc1)C(=O)c1cc(Br)ccc1Br 1914226161 DEGSPRQJUDPKBX-GFCCVEGCSA-N 490.033 5.637 50 10 JKGE CC[C@@H](Cl)CN(Cc1ccccc1)S(=O)(=O)c1c(C)sc(C)c1Br 1915110607 OOAMEAIQXKUHAN-OAHLLOKOSA-N 450.851 5.336 50 10 JKGE CC(C)[C@H](CBr)N(Cc1ccccc1)Cc1ccc(Cl)cc1Br 1915298652 WBZXCDOSAVRBQI-IBGZPJMESA-N 459.653 6.524 50 10 JKGE Fc1c([C@@H](Br)c2sc(Br)cc2Br)cccc1C(F)(F)F 1922890077 ANQCSLIFGGNGGZ-SECBINFHSA-N 496.943 6.915 50 10 JKGE Cc1ccc([C@H](Br)c2c(Br)sc(Br)c2Cl)c(F)c1 1923039007 MGVSFMKMJASZFZ-VIFPVBQESA-N 477.418 6.858 50 10 JKGE Clc1c(Br)sc(Br)c1[C@@H](Cl)c1ccc2c(c1)COCC2 1923055130 PJYVVLYXCQDZCW-NSHDSACASA-N 457.014 6.327 50 10 JKGE Clc1c(Br)sc(Br)c1[C@H](Br)[C@H]1C[C@H]2CC[C@H]1C2 1923071361 IJMYBYSSDMQSNN-BMLSCUAFSA-N 463.460 6.799 50 10 JKGE CC(C)(C)[C@@H]1C[C@@H]1[C@@H](Cl)c1c(Br)sc(Br)c1Br 1924612946 PEOQUBINOJZFLA-CCGCGBOQSA-N 465.476 6.998 50 10 JKGE Fc1cc(Cl)ccc1[C@@H](Br)c1c(Cl)sc(Br)c1Cl 1925590269 XLRKZTYLVLFWQG-MRVPVSSYSA-N 453.385 7.094 50 10 JKGE Cn1nc([C@H](Br)c2cc(Br)sc2Br)c(Cl)c1Cl 1945496850 BFLFJDAAUWNECG-RXMQYKEDSA-N 483.838 5.798 50 10 JKGE COc1sc([C@H](Br)c2ccc(OCc3ccccc3)cc2)cc1Br 1946718823 APICKTXLRFEDRD-GOSISDBHSA-N 468.210 6.583 50 10 JKGE Clc1cc(Br)c([C@H](Br)c2ccc(Br)c(Cl)c2)s1 1948823941 SMKXPJRWNCZINS-SNVBAGLBSA-N 479.846 7.064 50 10 JKGE Brc1cccc(C[C@H](Br)c2cc(I)sn2)c1 1983286552 RARSUKVOBNYPCN-VIFPVBQESA-N 472.971 5.189 50 10 JKGE Cc1ccccc1[C@@H](N[S@@](=O)C(C)(C)C)c1ccccc1P(c1ccccc1)c1ccccc1 2080763113 JTIQRCCAEXVYNU-SJHOIFEDSA-N 485.633 5.894 50 10 JKGE Cc1cc(Cl)c(Br)cc1[C@H](Br)c1cc(Br)c(Cl)s1 2082377964 WCGUISSSYPBSEG-NSHDSACASA-N 493.873 7.373 50 10 JKGE Brc1cccc(CN2C[C@H]3C[C@@H](Br)CC[C@H]3C2)c1Br 2092328399 LDACIJTVJFHOPO-UHTWSYAYSA-N 452.028 5.207 50 10 JKGE Cl[C@@H](c1cc2c(cc1Br)OCC2)c1csc(Br)c1Br 2093947767 GCDYHAXAEPWRQH-LBPRGKRZSA-N 487.438 6.299 50 10 JKGE Cc1ccc(Br)c([C@H](Br)c2cc(Br)c(Cl)cc2F)c1 2097834348 KKNWKKGENPFKNH-AWEZNQCLSA-N 471.389 6.797 50 10 JKGE Clc1ccc(Br)cc1CC[C@@H](Br)c1ccc(Br)cc1 2113481204 MZORBLJARDLJSQ-CQSZACIVSA-N 467.426 6.934 50 10 JKGE CN(C(=O)c1scc(Br)c1Br)[C@@H](CCBr)C(F)(F)F 2122012546 STSXDNZYPUQJJL-LURJTMIESA-N 487.961 5.061 50 10 JKGE CCCCCCCC[C@H](Br)c1ccc(Br)c(C)c1Br 2138848329 ANQNUQFRCXSDDD-HNNXBMFYSA-N 455.072 7.707 50 10 JKGE Cc1cc(Br)c([C@@H](Br)[C@H]2[C@H]3CC[C@@H](C3)C2(C)C)cc1Br 2146283492 BMSFPFUGDQVZSZ-DPDCMNJDSA-N 465.067 7.028 50 10 JKGE CN(C(=O)c1ccc(I)c(Br)c1)[C@@H]1CCCCC[C@H]1Cl 2172541522 YDEJSGVJLVTSOI-TZMCWYRMSA-N 470.576 5.066 50 10 JKGE BrCc1cc(Br)cc(Br)c1OC[C@@H]1CC2(CCCC2)O1 2189615778 RGCBQWZYTITEAQ-LBPRGKRZSA-N 469.011 5.587 50 10 JKGE Clc1cc(Cl)cc(CO[C@H](CI)c2cccc(Br)c2)c1 2197895396 CRBDNFOZOZWQCH-OAHLLOKOSA-N 485.974 6.449 50 10 JKGE Cc1sc(C(=O)N(Cc2ccccc2)C(C)(C)CBr)c(C)c1Br 2210614596 SFDDGSHFKZFZEE-UHFFFAOYSA-N 459.247 5.943 50 10 JKGE Clc1cc(Br)c([C@@H](Br)[C@H]2C[C@@H](Br)C2)c(Cl)c1Cl 2212845295 ZJUOAFRLJWSDAK-ZDEZVYLVSA-N 486.256 7.019 50 10 JKGE Cc1csc([C@H](Br)c2c(Br)sc(Br)c2Cl)c1C 2213657613 XIXUVVOIXJYSEL-SSDOTTSWSA-N 479.484 7.089 50 10 JKGE Fc1cc(F)c([C@@H](Br)c2nscc2Br)c(F)c1Br 2220510012 KEQCQFBHTSQTAH-MRVPVSSYSA-N 465.914 5.570 50 10 JKGE Cc1cc(Br)c([C@H](Br)[C@@H]2C[C@@H]2C(F)(F)F)c(C)c1Br 2227348501 NYQVTQDISSQBGN-RGNHYFCHSA-N 464.945 6.463 50 10 JKGE CC[C@H](CC(F)(F)F)[C@H](Br)c1c(Br)cc(C)c(Br)c1C 2235609372 NIYPJKNMLZFGCU-RNCFNFMXSA-N 480.988 7.243 50 10 JKGE Cc1cc(Br)c([C@@H](Br)C(F)(F)C2CCCC2)c(C)c1Br 2235610705 SEKPJQVUVBSATB-CQSZACIVSA-N 475.009 7.090 50 10 JKGE CC(C)c1cc(Br)cc([C@H](Br)c2sccc2Br)c1 2254727471 XIBYQZVODSXUQT-ZDUSSCGKSA-N 453.037 6.881 50 10 JKGE C[C@@H]1O[C@H](C)C[C@@H]1[C@H](Br)c1c(F)cc(Br)c(F)c1Br 2272739569 MURJHJFOHPDDCQ-WDOVLDDZSA-N 462.954 5.739 50 10 JKGE Fc1cc(Br)c(F)c(Br)c1[C@@H](Br)[C@H]1CCCC1(F)F 2272741043 SRFYDRXFYHLVOX-ANLVUFKYSA-N 468.908 6.361 50 10 JKGE COc1c([C@@H](Br)c2c(F)cc(F)c(Br)c2F)csc1Cl 2284310372 QDKFERWDBAQPLX-MRVPVSSYSA-N 450.501 6.074 50 10 JKGE C[C@H]1C[C@H]([C@H](Br)c2c(F)cc(Br)c(F)c2Br)C[C@@H](C)O1 2288366279 ZHZRZPCUILCNAB-MEUQOTJWSA-N 476.981 6.129 50 10 JKGE N#CC(=Cc1cn(Cc2cccc(Cl)c2)c2ccccc12)S(=O)(=O)c1ccc(Cl)cc1 2295654518 GYDLFUPFVJUMPU-UHFFFAOYSA-N 467.377 6.335 50 10 JKGE CC(C)OC(=O)c1ccc(NC=C(C#N)c2nc(-c3ccc(Cl)c(Cl)c3)cs2)cc1 2296798351 GKQKQOYYSUONFN-UHFFFAOYSA-N 458.370 6.659 50 10 JKGE CCOc1ccc(-n2c(C)cc(C=C(C#N)C(=O)O[C@H](C)C(=O)N(CC)c3ccccc3)c2C)cc1 2297486630 QRJLZSRFVJPGAS-JOCHJYFZSA-N 485.584 5.385 50 10 JKGE CC(F)(F)[C@@H]1C[C@H]1[C@@H](Br)c1cc(Br)ccc1OCc1ccccc1 2299508640 KFAOVFVAERVLCS-QGPMSJSTSA-N 460.156 6.755 50 10 JKGE Cc1c(Cl)sc(Cl)c1[C@@H](Br)c1cc(Br)c(Cl)s1 2299551131 VVZRSTRIBTUJFV-ZETCQYMHSA-N 455.451 7.325 50 10 JKGE Cc1c(C=C(C#N)C(=O)Nc2cccc(Cl)c2Cl)c2ccccc2n1Cc1ccccc1 2313571030 LTJQXXIDCAKMEI-UHFFFAOYSA-N 460.364 6.851 50 10 JKGE CCc1ccc(Oc2nc3c(C)cccn3c(=O)c2C=C(C#N)c2nc3ccccc3n2C)cc1 2314436785 DWIDKLJPACDJNS-UHFFFAOYSA-N 461.525 5.309 50 10 JKGE CCOc1cc(C=C2C(=O)N([C@H](C)c3ccccc3)C(=O)C(C#N)=C2C)ccc1OCC(C)C 2314618058 GKNQOWABVCJKFU-HXUWFJFHSA-N 458.558 5.474 50 10 JKGE COc1cc(C=C2C(=O)N([C@H](C)c3ccccc3)C(=O)C(C#N)=C2C)ccc1OCCC(C)C 2314619010 YCVBMKMJDMKLQR-HXUWFJFHSA-N 458.558 5.474 50 10 JKGE CCOc1cc(C=C(C#N)C(=O)NCc2ccco2)ccc1OC(=O)COc1cccc(C(C)C)c1 2314760620 RMIPSAZABUAFPQ-UHFFFAOYSA-N 488.540 5.009 50 10 JKGE Fc1c(Br)cc(Cl)c([C@H](Cl)c2cc(Br)sn2)c1Br 2315444643 CCEOCPIPRHDJQI-SECBINFHSA-N 498.824 6.551 50 10 JKGE COc1ccc(C(C#N)=Cc2ccc(OC(=O)c3ccc(Br)cc3)c(OC)c2)cc1 2320506182 DGUJZVXVVGSQHF-UHFFFAOYSA-N 464.315 5.750 50 10 JKGE CCCCOc1cccc(C=NNC(=O)c2ccc3nc(Cc4ccc(OC)cc4)[nH]c3c2)c1 2323720743 CJUJNPCQCWEFGE-UHFFFAOYSA-N 456.546 5.105 50 10 JKGE COc1cc(C=C(C#N)c2nc3ccccc3[nH]2)ccc1OCc1ccc(Br)cc1 2331020508 RLMWTNZVVYKDPH-UHFFFAOYSA-N 460.331 5.977 50 10 JKGE N#CC(=C(O)C(c1ccccc1)c1ccccc1)c1nc(-c2ccc(-c3ccccc3)cc2)cs1 2331231589 FQZMOJDNIDWXEK-UHFFFAOYSA-N 470.597 8.102 50 10 JKGE CC[C@H](C)[C@@H](C(O)=C(C#N)c1nc(-c2cccc(OC)c2)cs1)N1C(=O)c2ccccc2C1=O 2331248957 JXSCWXKQPOZLEA-NYHFZMIOSA-N 473.554 5.322 50 10 JKGE COc1ccc(-c2csc(C(C#N)=C(O)CNC(=O)c3ccc(C(C)(C)C)cc3)n2)cc1C 2331259164 SYWYAMVVDGGSJG-UHFFFAOYSA-N 461.587 5.647 50 10 JKGE C=CCOc1ccccc1OCC(O)=C(C#N)c1nc(-c2cc(OC)ccc2OC)cs1 2331326089 ZJGYKGQAFGBFQJ-UHFFFAOYSA-N 450.516 5.264 50 10 JKGE C[C@@H](c1ccccc1)N1C[C@H](C(O)=C(C#N)c2nc(-c3ccc(C(C)(C)C)cc3)cs2)CC1=O 2331331996 SUEIXLZCFBRCKC-GHTZIAJQSA-N 471.626 6.510 50 10 JKGE Cc1ccc(C(C)(C)C)cc1-c1csc(C(C#N)=C(O)[C@H](C(C)C)N2C(=O)c3ccccc3C2=O)n1 2331396323 LUHYBXWBNLCXEJ-DEOSSOPVSA-N 499.636 6.530 50 10 JKGE COc1cc(C=C(C#N)c2nc(-c3cc(C)cc(C)c3OC)cs2)ccc1OC(=O)c1ccccc1 2331469978 SQOWGPKHNOKTHD-UHFFFAOYSA-N 496.588 6.728 50 10 JKGE Fc1cc(Br)c(Br)cc1[C@H](Br)[C@@H]1CC[C@H]2C[C@@H]1CO2 2333604534 GIGNQAKEORNZII-FJBRNLEUSA-N 456.975 5.602 50 10 JKGE Fc1cc(Cl)c(Br)c(Cl)c1[C@@H](Br)c1ccc(Br)cc1 2335369359 PZLRYALLUUVMNM-NSHDSACASA-N 491.807 7.142 50 10 JKGE COc1ccc([C@H](Br)c2ccc(OCc3ccccc3)cc2Br)cc1Cl 2336038204 LFRSQPGINITOBW-NRFANRHFSA-N 496.626 7.174 50 10 JKGE CC1(C)COC[C@H]1[C@@H](Br)c1c(F)cc(Br)c(F)c1Br 2336199256 AZDPUCVMKCZAML-QUBYGPBYSA-N 462.954 5.598 50 10 JKGE CCOc1ccc([C@H](Br)c2ccc(Cl)cc2I)cc1 2340062007 UPZDJLKNQLKHSU-HNNXBMFYSA-N 451.529 5.828 50 10 JKGE CC(C)[C@@H]1CC[C@H](Cl)[C@@H](Cc2ccc(I)c(Br)c2)C1 2349777568 BVYSRLXCIJFRMO-IPYPFGDCSA-N 455.605 6.276 50 10 JKGE C[C@H](C[C@H]1CCOC1)Oc1c(Br)cc(Br)cc1CBr 2353430231 JTLYFBSMIYYCGK-NXEZZACHSA-N 457.000 5.300 50 10 JKGE C[C@]1(C(F)(F)F)C[C@@H]1[C@@H](Br)c1c(F)cc(Cl)c(Br)c1Cl 2360422019 RKONKFQAKYNUSB-CPFXQGKDSA-N 458.902 6.920 50 10 JKGE Cc1cc(Br)c(F)c(Br)c1[C@H](Br)C1CC2(C1)CC21CC1 2365226288 SOEZZJAMWYDTOR-FTMAYTQWSA-N 467.014 6.675 50 10 JKGE Fc1ccc([C@H](CBr)OCc2ccc(Cl)cc2I)cc1 2365646388 YRZQZWOQITULDZ-HNNXBMFYSA-N 469.519 5.737 50 10 JKGE Fc1ccc(C[C@H](CBr)Cc2ccc(Cl)cc2I)cc1 2366715063 NOZWWXXTDJZUHJ-LBPRGKRZSA-N 467.547 5.880 50 10 JKGE CCc1nc([C@@H](Br)CCc2cc(Cl)cc(Cl)c2)c(Br)s1 2366898214 OLIXPYRLQJDVQS-NSHDSACASA-N 458.046 6.844 50 10 JKGE CC(C)(C)[C@@H]1CC[C@@H]1[C@H](Br)c1c(Br)cc(Cl)c(Cl)c1Cl 2369056552 QHGBOXGOOKMEFC-SXMVTHIZSA-N 463.468 7.918 50 10 JKGE Cl[C@H](c1cc2c(cc1Br)OCCC2)c1ccccc1I 2369625706 PRSDPJSMYUOSIL-INIZCTEOSA-N 463.540 5.707 50 10 JKGE CC1(C)CC(CBr)(CN2CCN(C(=O)OC(C)(C)C)CC[C@@H]2C(F)(F)F)C1 2371149767 VUPMXZVYBUEKSN-CQSZACIVSA-N 457.375 5.061 50 10 JKGE C[C@@H](Br)C[C@@H]1CCCCCN1Cc1cc(I)ccc1Cl 2380516189 ZIZFVXAFXYMNRH-DOMZBBRYSA-N 470.620 5.863 50 10 JKGE CC(C)C[C@@H](CBr)CN(C1CC1)[C@H](CCNC(=O)OC(C)(C)C)C(F)(F)F 2382184913 RNCHCVMHULVTQN-GOEBONIOSA-N 459.391 5.354 50 10 JKGE N#C/C(=C\c1ccc(OCc2ccc(Br)cc2)cc1)C(=O)Nc1cccc(C(=O)O)c1 3255552 JIMLOXBHGGUDPE-XDHOZWIPSA-N 477.314 5.272 50 10 JKGE CCc1ccc([C@H]2C(C#N)=C(N)N(c3ccccc3C(F)(F)F)C3=C2C(=O)CC(C)(C)C3)s1 6284211 RVWKRASHAPRZLN-OAQYLSRUSA-N 471.548 6.270 50 10 JKGE O=C(N/N=C/c1ccccc1OCc1ccccc1)c1ccc(NC(=O)C2CCCCC2)cc1 12487540 GTXJNFJBWLGPGV-VUTHCHCSSA-N 455.558 5.548 50 10 JKGE C[C@H](Oc1ccc(-c2ccccc2)cc1)C(=O)NNC(=O)COc1ccccc1-c1ccccc1 14038536 NXULOCCJLXTQGJ-NRFANRHFSA-N 466.537 5.014 50 10 JKGE Cc1ccc(C(=O)Oc2ccc(/C=C(/C#N)C(=O)Nc3cc(Cl)cc(Cl)c3)cc2)cc1 33397714 SVBZAKGCOCNOSW-ZDLGFXPLSA-N 451.309 6.067 50 10 JKGE Cc1ccc(C)c(OCCOc2c(Cl)cc(Cl)cc2/C=C(/C#N)C(=O)Nc2ccccc2)c1 33579813 CIFPTEGIGGEOAA-MOSHPQCFSA-N 481.379 6.614 50 10 JKGE Cc1ccc(Oc2nc3c(C)cccn3c(=O)c2/C=C(\C#N)c2nc3ccccc3n2C)c(C)c1 33590287 ZHMVLDMMXDOUDF-HMMYKYKNSA-N 461.525 5.363 50 10 JKGE Cc1ccc(CN(CCc2c[nH]c3ccccc23)C(=O)CN(CC(C)C)C(=O)C(C)(C)CCl)cc1 35760834 NNHODKIQZUPKSY-UHFFFAOYSA-N 496.095 5.797 50 10 JKGE CCCCOc1ccccc1C(=O)Oc1ccc2c(c1)OC(N)=C(C#N)[C@@H]2c1ccc([N+](=O)[O-])cc1 38655024 MLPIZQWYEICDJK-RUZDIDTESA-N 485.496 5.211 50 10 JKGE CC(C)c1ccc(O[C@H](C)C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@@H]3c2cccs2)cc1 38656622 LDPYSHDTKCUHSR-VOIUYBSRSA-N 460.555 5.463 50 10 JKGE COc1cc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4cccs4)ccc32)ccc1OCC(C)C 38684173 UBXXHJZWJMKFTH-DEOSSOPVSA-N 476.554 5.229 50 10 JKGE CCCCOc1cccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)COc4ccc(C)c(C)c4)ccc32)c1 38685200 OFZNARMSFMARGD-LJAQVGFWSA-N 498.579 5.685 50 10 JKGE Cc1c(C(=O)NCCC(C)C)oc2c1/C(=N/NC(=O)C(c1ccccc1)c1ccccc1)CCC2 40815597 XFBMNQKXBNQKAH-UQRQXUALSA-N 471.601 5.353 50 10 JKGE Cc1cc(OCC(=O)N/N=C/c2ccc(OCc3ccccc3Cl)cc2)ccc1C(C)C 40910654 QZSCYRDQXYSXDV-RWPZCVJISA-N 450.966 5.880 50 10 JKGE COc1cc(/C=N\NC(=O)CC[C@H](O)c2ccccc2)ccc1OCc1ccc(Cl)c(Cl)c1 58887928 IQSRKVLTOSDNNW-WHXCVRPHSA-N 487.383 5.545 50 10 JKGE CCOc1ccc([C@@H](O)CCC(=O)N/N=C/c2cc(C)n(-c3ccc(F)c(Cl)c3)c2C)cc1 58894527 NOXZWQLHRHDYOO-GCFUEJLLSA-N 471.960 5.249 50 10 JKGE COc1ccc(/C=C(/C#N)C(=O)Nc2ccc(Cl)c(Cl)c2)cc1OCc1ccc(Cl)cc1 59117492 MJFHQGXDAHIPPB-YVLHZVERSA-N 487.770 6.780 50 10 JKGE O=C(CSCc1ccccc1Cl)N/N=C1\C(=O)N(Cc2ccccc2Cl)c2ccccc21 59146379 ULKJDELFWVZZRG-NFFVHWSESA-N 484.408 5.294 50 10 JKGE O=C(N/N=C/c1ccc2ccc3cccc4ccc1c2c34)c1ccc(NC(=O)c2ccccc2)cc1 59261048 BQMHIBGBNVWJLN-BIZUNTBRSA-N 467.528 6.600 50 10 JKGE CCOc1cc(/C=C(\C#N)C(=O)NCc2ccc(OC)cc2)ccc1OCc1ccc(Cl)cc1 59266314 PTBKNMADLCXGIB-HYARGMPZSA-N 476.960 5.550 50 10 JKGE COC(=O)c1ccc(-c2ccc(/C=C(\C#N)C(=O)Nc3cccc(Cl)c3Cl)o2)c(C)c1 59336373 VUWRBZDMDDZMOV-RVDMUPIBSA-N 455.297 5.894 50 10 JKGE Fc1ccc(C[C@H](CBr)Cc2cccc(Br)c2)cc1Br 97184652 SJCPAKIVFCVYBE-CYBMUJFWSA-N 464.998 6.147 50 10 JKGE Fc1cc(Br)c(Cl)cc1[C@@H](Br)c1cccc(Br)c1Cl 97895656 ASIIUZACQIDYBS-LBPRGKRZSA-N 491.807 7.142 50 10 JKGE CCOC(=O)c1c(N/C=C(\C#N)c2nc(-c3ccc(CC(C)C)cc3)cs2)sc2c1CCCC2 102457469 CCBNNLSUGMKEQA-HMMYKYKNSA-N 491.682 7.102 50 10 JKGE Brc1cccc([C@H](Br)c2cc(Br)ccc2Br)c1 109844717 MYODKVCYUREAHO-ZDUSSCGKSA-N 483.823 6.458 50 10 JKGE Brc1cc([C@@H](Br)[C@H]2Cc3ccccc3O2)c(Br)s1 109869925 MLCPMVHKEOWBRB-ZYHUDNBSSA-N 452.993 5.713 50 10 JKGE Brc1cc([C@H](Br)[C@@H]2Cc3ccccc3O2)c(Br)s1 109869933 MLCPMVHKEOWBRB-JQWIXIFHSA-N 452.993 5.713 50 10 JKGE COc1ccc([C@@H](Br)c2cc(F)ccc2Br)c(Br)c1 109876930 IGGYJAVDZXGPOY-CQSZACIVSA-N 452.943 5.844 50 10 JKGE BrC[C@@H](CCOc1cccc(Br)c1)c1ccc(Br)cc1 118851592 XWTQBHOGDAEBOZ-CYBMUJFWSA-N 463.007 6.159 50 10 JKGE BrC[C@H](CCOc1cccc(Br)c1)c1ccccc1Br 118867653 HRYLDSPDDWBZKN-LBPRGKRZSA-N 463.007 6.159 50 10 JKGE CN1Cc2cc([C@@H](Cl)c3cc(Br)c(Br)s3)ccc2NC1=O 123211905 ADZRRNZHJRFWFH-GFCCVEGCSA-N 450.583 5.579 50 10 JKGE COc1c(C)cc(Br)c(C)c1[C@H](Br)c1ccc(Br)c(F)c1 125705942 IJJPNTISKVCSQL-OAHLLOKOSA-N 480.997 6.460 50 10 JKGE COc1ccccc1C[C@@H](Br)c1cc(Br)c(C)cc1Br 128807887 TXKUPGZYPYHNQG-OAHLLOKOSA-N 463.007 6.207 50 10 JKGE C[C@@H](Cl)c1nc2cc(F)c(Br)cc2n1-c1cccc(I)c1 158511943 WGFPFJGDVVBUNV-MRVPVSSYSA-N 479.518 5.832 50 10 JKGE CCCCCCOc1ccc(/C=C(\C#N)C(=O)Oc2ccc(/C=C/C#N)cc2OC)cc1OC 207200121 BWELTRVPLFCNSF-XEBHLSMGSA-N 460.530 5.712 50 10 JKGE Clc1ccc(Oc2cc(Br)ccc2CBr)c(Br)c1 218180538 JDBXBPBUNDFCBX-UHFFFAOYSA-N 455.371 6.552 50 10 JKGE O=C(c1cc(Br)sc1Br)N1CCC[C@H]1CCCBr 232484429 CVWFSHXRPPZXJY-MRVPVSSYSA-N 460.029 5.053 50 10 JKGE Cc1cc([C@H](Br)c2cccc(Br)c2F)c(C)cc1Br 235865212 PJVVYKQFDVMSIG-CQSZACIVSA-N 450.971 6.452 50 10 JKGE Fc1ccc([C@@H](Cl)c2cc(Cl)c(Br)cc2F)c(I)c1 236209319 JBDAEKAPYPUKJJ-CYBMUJFWSA-N 477.901 6.314 50 10 JKGE CCCC(=NNC(=O)c1cc(-c2ccc(OCC)cc2)nc2ccccc12)c1ccc(Cl)s1 252628452 SQMNQCOBYZIAOU-UHFFFAOYSA-N 478.017 6.950 50 10 JKGE O=C(NN=Cc1ccc(C(F)(F)F)cc1)c1ccc(NN=Cc2ccc(C(F)(F)F)cc2)cc1 254516950 IJOSFSBUAALMAO-UHFFFAOYSA-N 478.396 5.934 50 10 JKGE O=C1Cc2cc([C@H](Br)c3ccc(Br)s3)c(Br)cc2N1 302412794 QBYMSUMPJRLNIS-ZDUSSCGKSA-N 465.992 5.252 50 10 JKGE CC(C)(C)OC(=O)N1CCC(CI)(OCc2ccccc2Cl)CC1 303741093 GDBALXIOFNIUBW-UHFFFAOYSA-N 465.759 5.061 50 10 JKGE COc1ccc(Cl)cc1[C@@H]1CN(C(=O)OCc2ccccc2)C[C@@H]1CI 382709466 WSTKVHAXNGHBMO-MAUKXSAKSA-N 485.749 5.136 50 10 JKGE Cc1cccc([C@@H](Br)c2c(C)cc(C)c(Br)c2C)c1Br 394300857 RSRVUBIZYSPFCJ-QGZVFWFLSA-N 461.035 6.930 50 10 JKGE Cc1cc([C@@H](Br)c2cc(Br)sc2Br)c(C)cc1F 395348307 CGGYAIMWKDBPJV-GFCCVEGCSA-N 457.000 6.513 50 10 JKGE Cn1ncc([C@@H](Br)c2cc(Cl)c(Cl)c(Cl)c2Cl)c1Br 404973288 ZSHSJYBTDLJWAE-ZETCQYMHSA-N 467.803 6.281 50 10 JKGE Clc1cccc(C[C@H](Br)c2scc(Br)c2Br)c1 705504604 OBWBIDARUZRQCS-VIFPVBQESA-N 459.428 6.605 50 10 JKGE C[C@H](CC(CBr)(CBr)c1ccc(Br)cc1)C(C)(C)C 710823796 WNWWLSKHPZRRPX-GFCCVEGCSA-N 455.072 6.549 50 10 JKGE Clc1ccc(Cl)c([C@H](Cl)c2ccc(I)c(Br)c2)c1 721590852 AOZBZGZOOJYEOV-CYBMUJFWSA-N 476.366 6.689 50 10 JKGE Cc1sc([C@@H](Br)c2cccc(I)c2)c(C)c1Br 724915213 OTYAAUZSUJMGLB-LBPRGKRZSA-N 486.010 6.216 50 10 JKGE Cc1sc([C@@H](Cl)c2cc(Br)cc(Br)c2)c(C)c1Br 724982739 AQZUOENCDPPHCE-LBPRGKRZSA-N 473.455 6.981 50 10 JKGE Cc1nn(-c2ccccc2)c(N(C2CCCCC2)C2CCCCC2)c1C=NNC(=O)c1cccnc1 1084091500 UHFUFVDOGDZWNI-UHFFFAOYSA-N 484.648 5.811 50 10 JKGE Cc1cc(C)cc(-n2c(C)cc(C=NNC(=O)c3ccc(-n4c(C)ccc4C)cc3Cl)c2C)c1 1084092106 WYCPMZMTVSZBCT-UHFFFAOYSA-N 473.020 6.536 50 10 JKGE O=C(NN=Cc1ccc(OCc2ccc(Cl)cc2)cc1)C(O)(c1ccccc1)c1ccccc1 1084142106 BYJRDZKTALAPLO-UHFFFAOYSA-N 470.956 5.305 50 10 JKGE CCOc1cc(/C=C(/C#N)C(=O)Nc2ccc(OC)cc2)cc(Cl)c1OCc1ccccc1F 1084224433 MHYTUTKCIYFFHP-UNOMPAQXSA-N 480.923 6.011 50 10 JKGE CCOc1cc(C=NNC(=O)c2cc3ccccc3o2)ccc1OCc1cccc2ccccc12 1084496089 AWKHOJNBRCQAOF-UHFFFAOYSA-N 464.521 6.328 50 10 JKGE Cc1ccc(COc2ccc(C=NNC(=O)COc3ccc(C(C)(C)c4ccccc4)cc3)cc2)cc1 1772753744 GOVHMIOYEGGELZ-UHFFFAOYSA-N 492.619 6.429 50 10 JKGE N#CC1=C(N)Oc2c(c(C(F)(F)F)nn2-c2ccc(Cl)c(Cl)c2)[C@@H]1c1ccccc1 1865680757 VCOWMMIFXJAMIQ-OAHLLOKOSA-N 451.235 5.416 50 10 JKGE N#CC1=C(N)Oc2c(c(-c3ccccc3)nn2Cc2ccc(Cl)cc2)[C@@H]1c1ccc(Cl)cc1 1865683084 FSADVMAMUFKEDR-JOCHJYFZSA-N 473.363 6.123 50 10 JKGE N#CC1=C(N)Oc2c(c(-c3ccccc3)nn2-c2cccc3ccccc23)[C@H]1c1ccccc1Cl 1865686319 UNXGYVLWMBGHSW-VWLOTQADSA-N 474.951 6.564 50 10 JKGE Cc1ccc(Cn2nc(C(F)(F)F)c3c2OC(N)=C(C#N)[C@@H]3c2ccc(C(C)C)cc2)cc1 1865686458 WEEIBQNYDASGLQ-FQEVSTJZSA-N 452.480 5.600 50 10 JKGE CCCc1nn(Cc2ccc(C)cc2)c2c1[C@@H](c1c(Cl)cccc1Cl)C(C#N)=C(N)O2 1865686559 XDJMSAIOSXEQBH-HXUWFJFHSA-N 453.373 5.717 50 10 JKGE Cc1nn(Cc2ccccc2Cl)c2c1[C@@H](c1ccc(OC(=O)c3ccccc3)cc1)C(C#N)=C(N)O2 1865705135 NFJZNGXYGAPTDE-VWLOTQADSA-N 496.954 5.331 50 10 JKGE COc1ccc(-c2nn(Cc3ccc(Cl)cc3)c3c2[C@H](c2ccccc2OC)C(C#N)=C(N)O3)cc1 1865709347 AESXISHELYJQTR-XMMPIXPASA-N 498.970 5.487 50 10 JKGE N#CC1=C(N)Oc2c(c(-c3ccccc3)nn2-c2ccc(Cl)c(Cl)c2)[C@H]1c1cccc(F)c1 1865710840 JRWSVSDZAWHCKF-NRFANRHFSA-N 477.326 6.203 50 10 JKGE C[C@@H](CC(=O)N[C@@H](Cc1ccc(F)cc1)C(=O)Nc1ccc(SC#N)cc1)c1ccc(Cl)cc1 1866709402 AWGPXXTVJYYYSU-XDHUDOTRSA-N 496.007 5.912 50 10 JKGE CCOc1ccc(/C=C(C(/O)=C(\C#N)c2nc(-c3ccc(CC)cc3)cs2)\c2ccccc2)cc1 1872744332 MYUSRJZSWSFUTK-MMMOHEILSA-N 478.617 7.805 50 10 JKGE CCOc1ccc(/C=C(C(/O)=C(\C#N)c2nc(-c3ccc(F)c(C)c3)cs2)\c2ccccc2)cc1 1872749950 PECJADPQGYTNEA-BEHWMOFKSA-N 482.580 7.690 50 10 JKGE Cc1ccc(C)c(-c2csc(/C(C#N)=C(O)/C=C/c3ccc(OCc4ccccc4Cl)cc3)n2)c1 1872750071 VLHYBSVHOQGLEQ-UTGAXKETSA-N 499.035 8.165 50 10 JKGE COc1ccc(/C(O)=C(\C#N)c2nc(-c3ccc(Oc4ccccc4)cc3)cs2)cc1OC 1872753838 PHTOUOIUMHNQOA-DAFNUICNSA-N 456.523 6.569 50 10 JKGE COc1cc(C)c(-c2csc(/C(C#N)=C(\O)c3cccc(Br)c3)n2)cc1C(C)C 1872753898 SQLBQMJUHIDDKT-QOCHGBHMSA-N 469.404 6.963 50 10 JKGE COc1cc(/C(O)=C(\C#N)c2nc(-c3c(C)cc(C)cc3C)cs2)c([N+](=O)[O-])cc1OC 1872755783 FRCKETWMGYVRFG-JWGURIENSA-N 451.504 5.611 50 10 JKGE COc1cc(/C=C(\C#N)c2nc(-c3ccc(Cl)s3)cs2)ccc1OCc1ccc(Cl)cc1 1872794736 SXPXNXGQFIDPCR-LICLKQGHSA-N 499.444 7.830 50 10 JKGE CCCCCOc1ccc(/C=C(\C#N)c2nc(-c3ccc(OC)c4ccccc34)cs2)cc1OCC 1872795199 SMDDVMOEYDUWOJ-OQKWZONESA-N 498.648 8.004 50 10 JKGE CCCC[Sn](CCCC)(CCCC)c1cc(CBr)ccc1F 1880854501 YWHWWYUVAKNXEG-UHFFFAOYSA-N 478.078 6.777 50 10 JKGE CC[C@@H](Br)CN(Cc1ccccc1)Cc1sc(Cl)cc1Br 1892989577 LUHRXXLTOMPGMH-CYBMUJFWSA-N 451.655 6.340 50 10 JKGE CC(C)C[C@@H](CBr)Cc1ccc(I)c(Br)c1 1904343553 KGWLCTAJNOCMQQ-LLVKDONJSA-N 459.991 5.653 50 10 JKGE CCc1cscc1[C@@H](Br)c1sc(Br)c(C)c1Br 1922935161 NGGPNZFPFMQPDR-SNVBAGLBSA-N 459.066 6.690 50 10 JKGE Fc1cccc(Br)c1[C@H](Cl)c1sc(Br)cc1Br 1922941269 NYEKHWVJKFWTON-JTQLQIEISA-N 463.391 6.503 50 10 JKGE Cc1cccc(Br)c1[C@H](Cl)c1sc(Br)c(C)c1Br 1922944242 XRLZRFRPFSNTTQ-NSHDSACASA-N 473.455 6.981 50 10 JKGE FC(F)COCC[C@@H](Br)c1c(Br)sc(Br)c1Cl 1923049055 JYAKWEGKGCSMSB-SCSAIBSYSA-N 477.390 6.034 50 10 JKGE CC1(C)CO[C@H](C[C@@H](Br)c2c(Br)sc(Br)c2Cl)C1 1923067157 ZDYDVEWFPJSBKM-RNFRBKRXSA-N 481.475 6.568 50 10 JKGE CCCOc1ccc(Br)cc1C[C@H](CBr)NC(=O)OC(C)(C)C 1984039326 HWJCZZNGVMXJLF-CQSZACIVSA-N 451.199 5.069 50 10 JKGE Cc1cc(Cl)c(Br)cc1[C@H](Br)c1cc(Br)sn1 2023699886 ILBOMCXTXYNXQH-NSHDSACASA-N 460.416 6.114 50 10 JKGE Brc1cc([C@@H](Br)[C@H]2CCn3nccc3C2)sc1Br 2046628789 VNMGBMUMKRXHRP-CPCISQLKSA-N 455.013 5.168 50 10 JKGE Clc1c(Br)sc(Br)c1[C@H](Br)[C@@H]1C[C@@H]2CCC[C@@H]2C1 2063510212 OBRBSUSBAMXDEW-CHIQAWFVSA-N 477.487 7.189 50 10 JKGE F[C@H](SS[C@@H](F)C(F)(F)C(F)(F)C(F)(F)F)C(F)(F)C(F)(F)C(F)(F)F 2069406938 OMMVVQOARIQSJQ-JCYAYHJZSA-N 466.206 6.625 50 10 JKGE Fc1ccc(C(F)(F)F)c(Cn2nc(CBr)c(Br)c2C(F)(F)F)c1 2079232113 NPRAIEPDSMVMCR-UHFFFAOYSA-N 484.007 5.766 50 10 JKGE Cc1cccnc1C[C@H](Br)c1ccc(Br)cc1I 2086149677 QSFOYYAMDBRDRD-LBPRGKRZSA-N 480.969 5.436 50 10 JKGE Cc1cc(Br)c([C@H](Br)[C@@H]2C[C@@H]3CCCC[C@H]32)cc1Br 2089189009 SQRNIVFQDPWPRA-XSUJLISDSA-N 451.040 6.782 50 10 JKGE ClC[C@H](Cc1c(Br)cccc1Br)c1cccc(Br)c1 2094095115 JAHBLYUFWLIXNC-NSHDSACASA-N 467.426 6.539 50 10 JKGE C[C@H]1CC[C@@H](CC(CBr)(CBr)c2cccc(Br)c2)C1 2101720726 COSZFOVYPUTMAJ-QWHCGFSZSA-N 453.056 6.303 50 10 JKGE FC1(F)[C@H]2CC(CBr)(Cc3c(Br)cccc3Br)C[C@@H]21 2107632664 IQEIPSOHFMFGSD-UWVGGRQHSA-N 458.966 5.811 50 10 JKGE Brc1cc([C@H](Br)Cc2ccc3c(c2)CCO3)sc1Br 2112341415 BUJQEARJMCFCHO-SNVBAGLBSA-N 467.020 5.887 50 10 JKGE Fc1ccc(Br)c(CC[C@H](Br)c2ccc(Br)cc2)c1 2113490874 IOKPSMOVABNVAR-AWEZNQCLSA-N 450.971 6.420 50 10 JKGE Cc1c(Br)ccc([C@H](Br)C(C)(C)CC(F)(F)F)c1Br 2138863568 MKHTVNVHSNAYOO-NSHDSACASA-N 466.961 6.935 50 10 JKGE Brc1ccc([C@H](Br)[C@H]2CCCCC23CCC3)c(Br)c1 2138873869 ZXUTUIMKSCUMBY-HIFRSBDPSA-N 451.040 7.008 50 10 JKGE CO[C@@H]1C[C@@H]([C@H](Br)c2ccc(Br)cc2Br)C12CCC2 2138876464 PQJAPLWBYARGFD-IACUBPJLSA-N 453.012 5.853 50 10 JKGE CCC[C@@H]1CN(C(=O)c2cc(Br)sc2Br)C[C@@H]1CBr 2140771109 NKDDJEGIBSWUBK-BDAKNGLRSA-N 474.056 5.156 50 10 JKGE CC1(CC(CBr)(CBr)c2cccc(Br)c2)CCCCC1 2143857070 MQDGCJJCGUJMNZ-UHFFFAOYSA-N 467.083 6.837 50 10 JKGE CN(c1ccc(F)c(Cl)c1CBr)C1C[C@@H]2CC[C@H](C1)N2Cc1ccccc1 2151240879 BTOUPHJEPOCTHZ-JWTNVVGKSA-N 451.811 6.006 50 10 JKGE Cc1c(Br)sc([C@H](Br)[C@@H]2CCC[C@]3(C2)CC3(F)F)c1Br 2156116483 LBGGFDXYYDCYAV-JQEORGNBSA-N 493.049 7.233 50 10 JKGE C[C@H](Cl)c1nc2cc(Br)c(Cl)cc2n1-c1csnc1Br 2160061062 OIKYLBFAXKKFJN-YFKPBYRVSA-N 455.990 5.960 50 10 JKGE CC(C)CO[C@H](C)CC(CBr)(CBr)c1ccc(Br)cc1 2165514259 RSHSISVIVYCHAI-CYBMUJFWSA-N 471.071 5.928 50 10 JKGE C[C@@H]1C[C@@H](n2c(CCl)nc3cc(Br)c(F)cc32)CN(Cc2ccccc2)C1 2184260834 PQHRATVTUNXXQK-GDBMZVCRSA-N 450.783 5.760 50 10 JKGE Fc1cc(Br)c([C@H](Br)c2cccc(Br)c2F)c(F)c1Cl 2201618844 LLOOFOPWFKFRLX-SNVBAGLBSA-N 493.342 6.767 50 10 JKGE COc1c(C)cc(Br)cc1[C@@H](Cl)c1cc(Br)ccc1Br 2206586600 LJNVIDXZAZBHOQ-AWEZNQCLSA-N 483.425 6.619 50 10 JKGE C[C@@H]1O[C@H](C)C[C@@H]1[C@H](Br)c1c(Br)cc(Cl)c(Cl)c1Cl 2224316750 HKMUTFNPIKGUGC-WDOVLDDZSA-N 451.413 6.659 50 10 JKGE CC(C)(C)OC1CC(C[C@@H](Br)c2sc(Br)cc2Br)C1 2224732910 VRINBXUOHJUJIM-UDNWOFFPSA-N 475.084 6.693 50 10 JKGE CCOCc1cc(Br)c([C@H](Br)c2cc(C)c(Br)o2)s1 2224775313 SJBYCEAIKMDAKJ-LLVKDONJSA-N 473.024 6.195 50 10 JKGE Brc1c([C@H](Br)c2cccc(OCc3ccccc3)c2)ccc2c1CCO2 2229747233 MNOIUBQDDLLBKI-OAQYLSRUSA-N 474.192 6.447 50 10 JKGE Fc1cc(Br)c(Br)cc1[C@H](Br)Cc1c(F)cccc1F 2233973856 CBJPYFUGNPBECF-SECBINFHSA-N 472.924 6.308 50 10 JKGE Fc1cc(Cl)c([C@H](Br)Cc2ccc(Br)cc2Cl)cc1Cl 2237458744 SMFZGYGWYGUDBV-SNVBAGLBSA-N 461.383 7.227 50 10 JKGE Cc1c(Br)sc([C@@H](Br)[C@@H]2CCC(F)(F)C2)c1Br 2252717642 CWQMPLHPWMGHSN-SVRRBLITSA-N 452.984 6.453 50 10 JKGE COc1ccc(C)cc1[C@H](Br)c1ccc(Cl)c(I)c1 2268275373 FAGXSUZDWVMBHL-OAHLLOKOSA-N 451.529 5.746 50 10 JKGE C[C@@H](Br)CN(C(=O)c1c(Br)cccc1Br)C(C)(C)C 2272459383 HDLCNPBTSDKTTG-SECBINFHSA-N 456.016 5.236 50 10 JKGE CC12COC([C@@H](Br)c3c(F)cc(Br)c(F)c3Br)(C1)C2 2272721304 GMVHYGSHAUPTOY-HIFPTAJRSA-N 460.938 5.495 50 10 JKGE Cc1cccc(Oc2cc(Br)cc(F)c2CBr)c1Br 2278288886 CNJWRODWKIHYDC-UHFFFAOYSA-N 452.943 6.346 50 10 JKGE Cc1cc(Br)c([C@@H](Br)c2ccc(Br)c(Cl)c2)c(C)c1F 2279146928 PBIFLBIAHOFIKT-AWEZNQCLSA-N 485.416 7.105 50 10 JKGE Cc1cccc(O[C@@H]2C[C@@H](Br)[C@]23CCC(F)(F)C3)c1I 2295336497 WWOGEGRAPPNOKT-YRGRVCCFSA-N 457.096 5.320 50 10 JKGE N#CC(=Cc1cn(Cc2cccc(Cl)c2)c2ccccc12)C(=O)Nc1ccc([N+](=O)[O-])cc1 2295669893 GXTHXHXXKXVAIP-UHFFFAOYSA-N 456.889 5.797 50 10 JKGE Cc1cc(C)cc(NC(SCc2cccc(F)c2)=C(C#N)S(=O)(=O)c2ccccc2)c1 2297350068 RWIGPGGZGJJLIP-UHFFFAOYSA-N 452.576 5.954 50 10 JKGE Brc1ccc(OCc2ccccc2)c([C@@H](Br)CC2CCOCC2)c1 2299488272 FLNCIYZFXRHKRX-IBGZPJMESA-N 454.202 6.281 50 10 JKGE C[C@@H]1C[C@H]([C@H](Br)c2cc(Br)ccc2OCc2ccccc2)CCO1 2299488859 KJYOYYALKVXROE-KKVAFCGZSA-N 454.202 6.279 50 10 JKGE Brc1cc(OCc2ccccc2)ccc1[C@@H](Br)CC[C@H]1CCOC1 2299502853 ACARYLVSPQBYIK-LPHOPBHVSA-N 454.202 6.281 50 10 JKGE CO[C@@H]1C[C@H]1[C@@H](Br)c1c(Cl)cc(Br)c(F)c1Br 2300174345 PFTQULKONKRVET-BTDYQHFOSA-N 451.355 5.475 50 10 JKGE CC1(C)OCCC[C@H]1[C@H](Br)c1ccc(OCc2ccccc2)cc1Br 2314499805 HECXWFJRXMVOPY-AZUAARDMSA-N 468.229 6.669 50 10 JKGE CC1=C(C#N)C(=O)N(CCc2ccccc2)C(=O)C1=CNc1ccc(N=Nc2ccccc2)cc1 2314579132 KJOPOPGBGKMWCH-UHFFFAOYSA-N 461.525 5.849 50 10 JKGE CCc1ccc(N2C(=O)[C@@H](Cc3ccc(C)cc3)SC2=C(C#N)C(=O)Nc2cccc(C)c2)cc1 2314591867 GLRFDRLWOCCVAT-AREMUKBSSA-N 481.621 5.931 50 10 JKGE CC(C)c1ccc(N2C(=O)[C@H](Cc3ccc(F)cc3)SC2=C(C#N)C(=O)NCc2ccco2)cc1 2314592775 BMJQLSSXMJIEKS-DEOSSOPVSA-N 489.572 5.285 50 10 JKGE CC1=C(C#N)C(=O)N(Cc2ccco2)C(=O)C1=Cc1ccc(-c2cc(Cl)ccc2Cl)o1 2314617787 ASXZDBLYOVMJPN-UHFFFAOYSA-N 453.281 5.639 50 10 JKGE CCOC(=O)C(C#N)=Cc1ccc(OC(=O)CCCOc2ccc(C(C)C)c(C)c2)c(OCC)c1 2314808186 SONYTIDLQBLQKW-UHFFFAOYSA-N 479.573 5.752 50 10 JKGE Cc1ccc(-c2csc3nc(SCC(=O)NN=Cc4ccc(C(C)(C)C)cc4)nc(O)c23)cc1 2318356184 AYYLODVSQVOHRN-UHFFFAOYSA-N 490.654 5.912 50 10 JKGE CCCCOC(=O)c1ccccc1NC=C(C#N)C(=O)Nc1ccccc1C(=O)OCCCC 2325307109 XAYJGQSNIPYKHH-UHFFFAOYSA-N 463.534 5.058 50 10 JKGE Clc1ccc(I)cc1CO[C@@H]1CCCCC[C@H]1I 2327242480 RIOXOIDGXHRPDH-ZIAGYGMSSA-N 490.550 5.598 50 10 JKGE N#CC(=Cc1ccc(Br)cc1)C(=O)NC[C@@H](c1c(F)cccc1Cl)N1CCCC1 2329659809 HGGXBIAERCCQFT-FQEVSTJZSA-N 476.777 5.102 50 10 JKGE CCOc1cc(NC(=O)c2ccccc2)c(OCC)cc1NC(=O)C(C#N)=Cc1cccc(Cl)c1 2329685208 JAXHAVJHKPWZAK-UHFFFAOYSA-N 489.959 5.935 50 10 JKGE CCc1ccc(-c2csc(C(C#N)=C(O)[C@H](CCSC)N3C(=O)c4ccccc4C3=O)n2)cc1 2331246024 SRPTWMMQIXMNCU-QFIPXVFZSA-N 489.622 5.583 50 10 JKGE CCOc1ccc(C=CC(O)=C(C#N)c2nc(-c3ccc4c(c3)OCCO4)cs2)cc1OC 2331331259 YPQLGCJPKVIKGY-UHFFFAOYSA-N 462.527 5.495 50 10 JKGE CC[C@H](C)[C@@H](C(O)=C(C#N)c1nc(-c2c(C)cc(C)cc2C)cs1)N1C(=O)c2ccccc2C1=O 2331394480 MAGLMDXQMNZBKT-FYSMJZIKSA-N 485.609 6.239 50 10 JKGE COc1ccc(-c2csc(C(C#N)=Cc3ccc(OCc4ccccc4)cc3)n2)c(OC)c1 2331473141 HYHYJPXKJFJWOD-UHFFFAOYSA-N 454.551 6.470 50 10 JKGE COc1ccc(-c2csc(C(C#N)=Cc3ccc(OCc4ccc(C)cc4)cc3)n2)c2ccccc12 2331489177 FBSOHOPKSGGULK-UHFFFAOYSA-N 488.612 7.924 50 10 JKGE Brc1cc(OCc2ccccc2)ccc1[C@H](Br)[C@H]1C[C@H]1C1CCOCC1 2336043026 CHGJPURUOSNHIU-ONTIZHBOSA-N 480.240 6.527 50 10 JKGE COc1c(Br)cc(C)c([C@H](Br)C[C@H]2CC23CC3)c1Br 2339658878 MSOPGWWETFGYDR-VHSXEESVSA-N 453.012 6.155 50 10 JKGE COc1ccc([C@@H](Br)c2c(C)cc(Br)c(F)c2Br)s1 2339681809 MARKOIQBALVAHM-LLVKDONJSA-N 472.999 6.214 50 10 JKGE ClC[C@H](Cc1cc(I)ccc1Cl)c1ccc(Br)cc1 2352369562 GCIRTCQVNWWEQU-LBPRGKRZSA-N 469.975 6.272 50 10 JKGE Cc1cc(Br)c(C(C)C)cc1[C@@H](Br)c1cscc1Br 2352796893 MKBCLIUMLGJXNY-OAHLLOKOSA-N 467.064 7.189 50 10 JKGE CSc1ccc([C@H](Br)c2c(F)cc(Cl)c(Br)c2Cl)cc1 2360423402 MEXXUDQTBJEFGO-LBPRGKRZSA-N 459.005 7.101 50 10 JKGE CC1([C@H](Br)c2c(Cl)cc(Br)c(F)c2Br)CC2(CCC2)C1 2362233190 XOKLHFPWPJPKBM-CYBMUJFWSA-N 489.448 7.411 50 10 JKGE Clc1ccc(CN2C[C@H](CBr)C3(CCCC3)C2)cc1I 2362382763 IPZFLJOJUFSPTN-ZDUSSCGKSA-N 468.604 5.332 50 10 JKGE Cc1cc(CCl)cc(C)c1OCc1ccc(I)c(Br)c1 2377291851 RKABJIFFXNCXPB-UHFFFAOYSA-N 465.556 5.988 50 10 JKGE Cc1ccc(CBr)c(OCc2nn(C)c(Cl)c2Br)c1Br 2380675462 ZGKRJGOBZFJOTH-UHFFFAOYSA-N 487.417 5.381 50 10 JKGE COc1ccc(/C=C2\CCCC3=C2OC(N)=C(C#N)[C@H]3c2ccc(OC)cc2OC)c(OC)c1 2111777 FUUBNJNDENGICH-GCTXXEFPSA-N 460.530 5.050 50 10 JKGE CC(C)c1ccc(-c2csc3[nH]c(SCC(=O)N/N=C/C=C/c4ccccc4)nc(=O)c23)cc1 19651453 ZIXHQGDVTRUCHY-RBPSKNBOSA-N 488.638 5.683 50 10 JKGE ClCCN(CCCl)c1ccc(SCCCNc2c3ccccc3nc3ccccc23)cc1 26823566 FSJFMSCJJZGVHC-UHFFFAOYSA-N 484.496 7.266 50 10 JKGE CCC(C)(C)c1ccc(OCCCC(=O)N/N=C(/C)c2ccc(Cl)s2)c(C(C)(C)CC)c1 35108420 KXLXATJHNRGWPG-VEILYXNESA-N 477.114 7.476 50 10 JKGE CCCOc1ccccc1C(=O)Oc1ccc2c(c1)OC(N)=C(C#N)[C@H]2c1ccc(OCC)cc1 38685946 ZHYNMICDYIZOGQ-SANMLTNESA-N 470.525 5.311 50 10 JKGE CCCOc1ccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4oc5ccccc5c4C)ccc32)cc1 38687498 VHRGIDWKPXYHQX-AREMUKBSSA-N 480.520 5.967 50 10 JKGE Cc1ccc2cc3c(nc2c1)N(c1ccc(C(=O)NN(c2ccccc2)c2ccccc2)cc1)CC3 39881509 DFBFQANOURIPSS-UHFFFAOYSA-N 470.576 6.721 50 10 JKGE Cc1ccc(C)c(NC(=O)/C(C#N)=C/c2c(Oc3ccccc3C)nc3c(C)cccn3c2=O)c1 39993171 QCMWURCMIYSDOJ-RCCKNPSSSA-N 464.525 5.266 50 10 JKGE CCCOc1ccc(/C=C(\C#N)C(=O)Oc2ccc(/C=C(\C#N)c3ccc(Cl)cc3)cc2OC)cc1 40868434 QJKJVVABSMMYLR-VDYLEKFBSA-N 498.966 6.714 50 10 JKGE CCCCCCOc1ccc(/C=N/NC(=O)[C@@H](C)Oc2cc(C)c(Cl)c(C)c2)cc1OC 40960336 HNARMTRHPTZXKZ-BWJYWGHISA-N 461.002 5.842 50 10 JKGE C=C(C)[C@@H](O)CC/C(C)=C/C[C@@]12OC(C)(C)[C@H](Cl)C[C@]1(Cl)C(=O)c1c(O)cc(O)cc1C2=O 85593923 MUVCLXZNRJJIGV-XGPBHUGQSA-N 497.415 5.053 50 10 JKGE C=CCOc1ccc(-c2nn(-c3ccccc3)cc2/C=C(\C#N)C(=O)NCc2cccnc2)cc1C 95548553 RETAXJPLYVOCRK-LFVJCYFKSA-N 475.552 5.031 50 10 JKGE Cc1cc(C)c(OCC(=O)N/N=C/c2cn(Cc3ccccc3)c3ccccc23)c(Br)c1 97136653 QZXZZPTZZNXKSY-CCVNUDIWSA-N 490.401 5.598 50 10 JKGE Cc1cc(Br)cc([C@H](Br)c2cc(Cl)c(Br)cc2F)c1 97895659 NBYZOZWMAMCIPW-AWEZNQCLSA-N 471.389 6.797 50 10 JKGE Cc1ccc([C@H](C(=O)NC2CCCCC2)N(CCc2ccccc2Cl)C(=O)CCl)cc1 97914436 BFQVSTNRXDRIQY-XMMPIXPASA-N 461.433 5.449 50 10 JKGE Cc1cc(C)c(N/C(SCc2cccc(F)c2)=C(\C#N)S(=O)(=O)c2ccccc2)c(C)c1 104689484 DNGNQBNBBDVLQL-BZZOAKBMSA-N 466.603 6.263 50 10 JKGE CCOc1ccc(Br)cc1[C@H](Br)Cc1ccc(Br)cc1 109872102 RKICTQHVFOSXDC-OAHLLOKOSA-N 463.007 6.289 50 10 JKGE Fc1ccc(CC(CCl)(CCl)c2cccc(Br)c2)cc1Br 118874827 BGZFRDOVCSYEQS-UHFFFAOYSA-N 454.992 6.309 50 10 JKGE Brc1cc([C@@H](Br)c2cc3ccccc3s2)sc1Br 128199203 LIIKBPWWFWQTSC-LBPRGKRZSA-N 467.045 6.972 50 10 JKGE Clc1cc([C@@H](Cl)c2cc(Br)ccc2Br)ccc1Br 148942558 SQHGAIDRVZWIOQ-CYBMUJFWSA-N 473.817 6.956 50 10 JKGE Fc1cccc([C@H](Cl)c2cc(Br)c(Br)s2)c1Br 156131952 PTVCBVLIHMVLLQ-JTQLQIEISA-N 463.391 6.503 50 10 JKGE Cc1nn(C)c(Cl)c1CC(CBr)(CBr)c1ccccc1Cl 167850196 CJOOZZUTXMBWJN-UHFFFAOYSA-N 455.021 5.306 50 10 JKGE CCSc1ccc(-c2nn(-c3ccccc3)cc2/C=C2\C(=O)N(C(C)C)C(=O)C(C#N)=C2C)cc1 214249287 OHICFGWJODLDRA-IWIPYMOSSA-N 482.609 5.652 50 10 JKGE CC(C)c1ccccc1NC(=O)/C(C#N)=C\N1CCN(C(c2ccccc2)c2ccccc2)CC1 217118158 MELCEVODZDBKTM-ROMGYVFFSA-N 464.613 5.563 50 10 JKGE CCCCCCCCCCCCCC(=O)NCC(=O)NN=Cc1coc2ccccc2c1=O 254397264 BQWIZOTZWPYOFP-UHFFFAOYSA-N 455.599 5.060 50 10 JKGE C[C@H](Cl)c1nc2cc(Br)c(F)cc2n1[C@@H]1CCN(Cc2ccccc2)[C@H]1C 380531146 UAGMBQYGZFFVTG-CKFHNAJUSA-N 450.783 6.073 50 10 JKGE CC(C)(C)OC(=O)NCCN1CCCC[C@@H](c2ccc(CCO[Si](C)(C)C(C)(C)C)cc2)C1 616605435 PGNGAOANRBIDOY-XMMPIXPASA-N 476.778 6.345 50 10 JKGE Cl[C@@H](c1cc(Br)c2c(c1)CCCO2)c1ccccc1I 689612109 LJXVQDPNTVSEBR-HNNXBMFYSA-N 463.540 5.707 50 10 JKGE Fc1ccc([C@H](Br)c2ccc(OCc3ccccc3)cc2)c(F)c1Br 691516411 WUYLGMRZKOJCOO-GOSISDBHSA-N 468.135 6.791 50 10 JKGE CC(C)(C)c1ccc(C(=O)Nc2ccc(C(=O)NN=Cc3c(Cl)cccc3Cl)cc2)cc1 1084574482 LQCMGEXEAVLFJL-UHFFFAOYSA-N 468.384 6.307 50 10 JKGE CC(C)(C)OC(=O)N1C[C@@H](CBr)[C@@H](c2cc(C(F)(F)F)cc(C(F)(F)F)c2)C1 1614612786 CAHQDACVRMPZQQ-BXUZGUMPSA-N 476.255 6.070 50 10 JKGE Cc1c(C(=O)Nc2cccc3cccnc23)oc2c1C(=NNC(=O)c1cccc3ccccc13)CCC2 1772747050 CJLHEQCXNNSNDI-UHFFFAOYSA-N 488.547 6.012 50 10 JKGE CCOc1cc([C@@H]2C(C#N)=C(N)Oc3c2c(C)nn3-c2ccccn2)ccc1OCc1ccc(C)cc1 1865689336 QAIJMEWLGJUUDP-HHHXNRCGSA-N 493.567 5.080 50 10 JKGE CCCn1nc(C(F)(F)F)c2c1OC(N)=C(C#N)[C@H]2c1ccc(OCc2ccccc2C)cc1 1865702937 IQZSUIHXIRDRKX-HXUWFJFHSA-N 468.479 5.418 50 10 JKGE Cc1ccc(-n2nc(-c3ccccc3)c3c2OC(N)=C(C#N)[C@H]3c2ccccc2OC(C)C)cc1 1865705356 SYSMUOIXPAPKCT-RUZDIDTESA-N 462.553 5.853 50 10 JKGE N#CC1=C(N)Oc2c(c(-c3ccccc3)nn2-c2ccccc2Cl)[C@H]1c1ccccc1[N+](=O)[O-] 1865710010 MJAJGZAIELZNRU-NRFANRHFSA-N 469.888 5.319 50 10 JKGE C[C@@H](CCNC(=O)/C(C#N)=C/c1ccc(Br)cc1)c1cccc(-c2ccc(O)cc2)c1 1866128974 VXZGXCJTDOSYIA-FSTGKYBXSA-N 475.386 6.039 50 10 JKGE O=c1c(-c2ccc(OC(F)(F)F)cc2)coc2cc(OCc3ccc(CCl)cc3)ccc12 1871436804 QOGHBHDGEYMOCL-UHFFFAOYSA-N 460.835 6.676 50 10 JKGE Cc1cc(OC/C(O)=C(\C#N)c2nc(-c3ccc4c(c3)OCCO4)cs2)cc(C)c1Cl 1872751286 ZZDXEBQDYFQTQY-ZPHPHTNESA-N 454.935 5.723 50 10 JKGE COc1cc(C)c(-c2csc(/C(C#N)=C(\O)CCc3nc4ccccc4[nH]c3=O)n2)cc1C(C)C 1872753519 AOYLDHCMZFUBQC-CLCOLTQESA-N 486.597 5.913 50 10 JKGE COc1c(Cl)cc(Cl)cc1-c1csc(/C(C#N)=C(\O)CCc2nc3ccccc3[nH]c2=O)n1 1872754300 MAKKNBBIHVZGDX-ZHZULCJRSA-N 499.379 5.787 50 10 JKGE COc1ccc(-c2csc(/C(C#N)=C(\O)Cc3cccc4ccccc34)n2)c(OC)c1OC 1872759152 GCKZSTFNVFYCFJ-XDOYNYLZSA-N 458.539 6.024 50 10 JKGE COc1cc(/C=C(\C#N)c2nc(-c3ccc(Cl)cc3)cs2)ccc1OC(=O)c1ccccc1 1872790235 TYJFSWPPSMDJIN-DEDYPNTBSA-N 472.953 6.755 50 10 JKGE N#C/C(=C\c1ccccc1OCc1ccccc1Cl)c1nc(-c2ccc(Cl)s2)cs1 1872794758 VIILOOIUKIAGBS-GZTJUZNOSA-N 469.418 7.822 50 10 JKGE C[C@@](F)(CO[C@@H](CI)c1ccccc1Br)C(F)(F)F 1876652488 XFXLMGMFJINWTI-WDEREUQCSA-N 455.027 5.232 50 10 JKGE Cn1nc(Br)c(Br)c1[C@H](Br)c1ccc(Br)s1 1900983562 NSYVAWYFAIYDKL-ZCFIWIBFSA-N 493.844 5.253 50 10 JKGE Cc1sc(Br)cc1S(=O)(=O)N(Cc1ccccc1)[C@H](CBr)C1CC1 1915168851 BGEUOKKCXLGAKV-OAHLLOKOSA-N 493.286 5.183 50 10 JKGE CC(C)(CBr)N(Cc1ccccc1)c1ncc(Br)cc1C(F)(F)F 1915760161 LTFSSNDADYNWDW-UHFFFAOYSA-N 466.139 6.043 50 10 JKGE Cc1ccc([C@H](Br)c2sc(Br)cc2Br)c(Cl)c1 1922934026 BLXDTTNDSYNGAW-NSHDSACASA-N 459.428 6.719 50 10 JKGE CC(C)(C)c1ccc([C@@H](Br)c2sc(Br)cc2Br)cc1 1922953488 DNRMMJFJRHZSTQ-CYBMUJFWSA-N 467.064 7.055 50 10 JKGE Clc1c(Br)sc(Br)c1[C@@H](Br)CCC1CCCC1 1923072575 PUARKMVLGWPSPY-QMMMGPOBSA-N 465.476 7.333 50 10 JKGE FC(F)c1cscc1[C@@H](Br)c1c(Cl)sc(Br)c1Cl 1925562221 VYSURDLRBHWGDK-ZCFIWIBFSA-N 456.986 7.301 50 10 JKGE C[C@]1(C(F)(F)F)C[C@H]1[C@@H](Br)c1cc(Br)sc1Br 1998660004 FEEZNJCDHJDLRI-GCHGDONOSA-N 456.947 6.298 50 10 JKGE CCc1nc([C@@H](Br)c2cc(Br)c(C)s2)c(Br)s1 2003570869 VNMDUADTPQLMLS-VIFPVBQESA-N 460.054 6.085 50 10 JKGE Cc1ncsc1COc1c(Br)cc(Br)cc1CBr 2034986249 UAJLJLMLHXPSMY-UHFFFAOYSA-N 455.997 5.450 50 10 JKGE CC1(C)CC[C@H](Br)CN1C(=O)c1cc(Br)sc1Br 2038524438 HCNDFEITVMPNHY-ZETCQYMHSA-N 460.029 5.051 50 10 JKGE CO[C@@H]1CCC[C@H]([C@H](Br)c2c(Br)sc(Br)c2Cl)C1 2062719256 VUMKAEGICUBQLU-OOZYFLPDSA-N 481.475 6.568 50 10 JKGE COc1cc(Cl)c([C@H](Br)c2csc(Br)c2)cc1Br 2082378392 ZNRDCZDTCVQTOA-GFCCVEGCSA-N 475.427 6.419 50 10 JKGE Cc1cc(Br)c([C@@H](Br)C(C)(C)[C@H]2CCCO2)cc1Br 2093191859 BSCZKDDVIWKKIX-ZIAGYGMSSA-N 455.028 6.161 50 10 JKGE COc1ccc(C)c([C@H](Br)c2sc(Br)c(C)c2Br)c1 2109590905 PCDAAIWEMXTBNJ-LBPRGKRZSA-N 469.036 6.383 50 10 JKGE COc1ccc([C@H](Cl)c2cc(I)ccc2F)c(Br)c1 2113357755 JKRMBMOMPFWIAM-AWEZNQCLSA-N 455.492 5.530 50 10 JKGE CC[C@H](Br)[C@H]1CCCCN1Cc1cc(Cl)ccc1I 2114198620 RZCJUWWDKWYBCJ-DZGCQCFKSA-N 456.593 5.473 50 10 JKGE COc1c(C)cc(Br)cc1[C@@H](Br)c1ccccc1OCc1ccccc1 2141614399 BWZJKFOUOTUQBA-NRFANRHFSA-N 476.208 6.829 50 10 JKGE CCOc1ccc(Br)cc1[C@H](Br)c1c(Br)cnn1CC 2150669459 XDQKSZTWKFCCCZ-ZDUSSCGKSA-N 466.999 5.311 50 10 JKGE CC1(C)C[C@@H](n2c(CCl)nc3cc(F)c(Br)cc32)[C@H]1OCc1ccccc1 2156378071 SRTVETWZJNGBQQ-UYAOXDASSA-N 451.767 6.233 50 10 JKGE Fc1cc(Oc2cc(Br)cc(F)c2CBr)c(Br)cc1Cl 2170691631 LEFJFLANPPDLFK-UHFFFAOYSA-N 491.351 6.830 50 10 JKGE Fc1cc(Br)cc(N2[C@H]3CCC[C@H]2CN(Cc2ccccc2)CC3)c1CCl 2170695444 OSRXSOHEDJFFKE-OALUTQOASA-N 451.811 5.960 50 10 JKGE Cc1cc(C)c(S(=O)(=O)N(Cc2ccccc2)CC2CCCC2)cc1CBr 2179858346 NGIRQNMNBXADRL-UHFFFAOYSA-N 450.442 5.579 50 10 JKGE Fc1cc(F)cc(CO[C@@H](CI)c2ccc(Br)cc2)c1 2204373628 IAZHSPAMFZZKNW-HNNXBMFYSA-N 453.064 5.420 50 10 JKGE COc1c(C)cc(Br)cc1[C@@H](Br)c1ccc(Br)c(F)c1 2206569748 QBLMWPLFUQBUDC-AWEZNQCLSA-N 466.970 6.152 50 10 JKGE Cc1sc(Br)c(C)c1[C@@H](Br)c1cc(F)ccc1Br 2218800835 NVUPTXRUHLWKQW-LBPRGKRZSA-N 457.000 6.513 50 10 JKGE Clc1cc(Br)ccc1C[C@@H](Br)c1cc(Cl)c(Br)s1 2221700192 PPPZJOCKCPJGKT-MRVPVSSYSA-N 493.873 7.259 50 10 JKGE Clc1cc(Br)c([C@H](Cl)c2ccc(OCc3ccccc3)cc2)c(Cl)c1Cl 2224308701 ZDEWUSVONMUGNY-GOSISDBHSA-N 491.039 8.317 50 10 JKGE Cc1c(Br)ccc([C@H](Br)[C@@H]2OC[C@H]3CCC[C@@H]32)c1Br 2224931594 MOEHHJLWPVCLIV-KTJYFRGRSA-N 453.012 5.771 50 10 JKGE Fc1cc(Br)c(Br)cc1[C@@H](Br)C(F)(F)[C@H]1CCOC1 2225617179 MGZGMVUAGPKUAL-UPONEAKYSA-N 466.917 5.459 50 10 JKGE Cc1sc(Br)c(C)c1[C@H](Br)c1c(F)cc(Br)cc1F 2225864908 JNFSSMCTKTZNHK-LBPRGKRZSA-N 474.990 6.652 50 10 JKGE Cc1ccc(I)c([C@@H](Cl)c2ccc(F)c(Br)c2F)c1 2232222679 KYPGHRTXUWCBFQ-ZDUSSCGKSA-N 457.483 5.969 50 10 JKGE C[C@@]1([C@H](Br)c2c(Br)cc(Cl)c(Cl)c2Cl)CCCC1(F)F 2232512521 NQDQRZHLLVKIMY-NEPJUHHUSA-N 471.394 7.671 50 10 JKGE Clc1cc(Br)c([C@H](Br)[C@@H]2CCCC3(CC3)C2)c(Cl)c1Cl 2232518005 YPAOKDBQVQKNLE-PRHODGIISA-N 461.452 7.816 50 10 JKGE Fc1cc(Br)cc2c1nc(CCl)n2-c1ccccc1I 2232923947 PWVILGGFGYKKQO-UHFFFAOYSA-N 465.491 5.271 50 10 JKGE CCOCc1cc(Br)c([C@@H](Br)c2cccc(Br)c2F)s1 2233021535 NLCDSPFLJDCNAB-LBPRGKRZSA-N 487.026 6.433 50 10 JKGE Clc1ccc(I)c([C@@H](Br)c2ccc([C@H]3CCOC3)s2)c1 2240431714 LPEXKNLSLAFSSY-BJOHPYRUSA-N 483.596 5.994 50 10 JKGE Cc1cc([C@@H](Br)c2sc(C)c(C)c2Br)c(Br)s1 2246425170 OSWVKTMYVMNTKF-SNVBAGLBSA-N 459.066 6.744 50 10 JKGE Clc1cc(Br)c([C@@H](Cl)c2ccc(Cl)c(I)c2)s1 2248212071 GPAMUAAZMRCPSD-JTQLQIEISA-N 482.395 6.750 50 10 JKGE CC[C@@H]1CN(C(=O)OCc2ccccc2)[C@H](CC)CN1CCCCCCCBr 2263167646 WOTYZMNKRCANQR-FGZHOGPDSA-N 453.465 5.843 50 10 JKGE Clc1c(Br)csc1[C@H](Br)c1ccc(-c2cccs2)s1 2264606059 WLVAIOJUIZOZDU-LLVKDONJSA-N 454.661 7.438 50 10 JKGE Clc1ccc(I)cc1O[C@@H]1C[C@H](Br)C12CCCCC2 2272639370 OZZLSCSIOKNCHI-UONOGXRCSA-N 455.561 5.810 50 10 JKGE Fc1cc(Br)c(F)c(Br)c1[C@H](Br)[C@H]1[C@H]2OCCC[C@@H]21 2272844121 VAHBUBKILNFZES-RYGTYYGESA-N 460.938 5.351 50 10 JKGE Fc1cc(Br)c(F)c(Br)c1[C@@H](Cl)c1cccc(Br)c1 2272853986 MXIWLZYHJIFGLY-LBPRGKRZSA-N 475.352 6.581 50 10 JKGE Fc1cc(C[C@@H](Cl)c2cc(I)ccc2Br)ccc1Cl 2277790009 FDWLDWLPDUWELS-CYBMUJFWSA-N 473.938 6.369 50 10 JKGE CC[C@@H](C)[C@@H](CI)NC(=O)c1cc(Br)cc(C(C)C)c1 2280713669 RSWXCWFESAHHDC-IAQYHMDHSA-N 452.174 5.152 50 10 JKGE Fc1cc(Br)c([C@@H](Cl)c2ccc(Cl)c(I)c2)c(F)c1F 2283583201 UGPKXDIEJZEODM-NSHDSACASA-N 495.891 6.453 50 10 JKGE Fc1cc(Cl)c([C@H](Cl)c2cc3sc(Br)cc3s2)cc1Br 2295495914 SRQUILAMZPNLHY-ZDUSSCGKSA-N 475.029 7.609 50 10 JKGE C=CCOC(=O)c1sc(NC=C(C#N)c2nc(-c3ccc(F)cc3)cs2)c(C(=O)OCC)c1C 2296790007 JBMXQHXAMNLDPO-UHFFFAOYSA-N 497.573 5.815 50 10 JKGE CCOC(=O)c1ccc(NC=C(C#N)c2nc(-c3ccc(-c4ccccc4)cc3)cs2)cc1 2296798405 PUSNBRYOOZQRIC-UHFFFAOYSA-N 451.551 6.630 50 10 JKGE CO[C@H]1C[C@@H](C[C@H](Br)c2ccc(OCc3ccccc3)cc2Br)C1 2299487902 AUFSYRJXQPOLMP-WDYCEAGBSA-N 454.202 6.279 50 10 JKGE Brc1ccc(OCc2ccccc2)c([C@@H](Br)[C@@H]2C[C@H]3CC[C@@H]2O3)c1 2299503702 HZWDGXBFVMWZMB-WSTLGDPDSA-N 452.186 6.032 50 10 JKGE Brc1cc(OCc2ccccc2)ccc1[C@H](Br)[C@@H]1[C@@H]2CCOC[C@H]21 2299508493 JVNMQHYGJDKFOZ-QOJCHSLYSA-N 452.186 5.747 50 10 JKGE CC(C)[C@@H](CBr)COCc1ccc(I)c(Br)c1 2306307375 PIIJMLCVLFKZSB-NSHDSACASA-N 475.990 5.237 50 10 JKGE CCOc1cc(C=C(C#N)C(=O)Nc2ccccc2Cl)ccc1OCc1ccc(F)cc1 2313631858 XHOGYGAVDUDMNZ-UHFFFAOYSA-N 450.897 6.002 50 10 JKGE CCOc1cc(C=C(C#N)C(=O)Nc2ccc(OC)cc2)ccc1OCc1cccc(Cl)c1 2313676703 VIIGVBHXQVGGOG-UHFFFAOYSA-N 462.933 5.872 50 10 JKGE Brc1cc(OCc2ccccc2)ccc1[C@H](Br)C[C@H]1CCC12CCC2 2314440716 RQKQHOHRFBRCLS-YLJYHZDGSA-N 464.241 7.435 50 10 JKGE CCOC(=O)c1ccc(-c2ccc(C=C(C#N)c3nc(-c4ccc(Cl)cc4)cs3)o2)cc1 2314457013 QVCHCAUMLRFMCK-UHFFFAOYSA-N 460.942 6.964 50 10 JKGE CCCOc1ccc(-c2nn(-c3ccccc3)cc2C=C(C#N)C(=O)NC2CCCCC2)cc1Cl 2314476949 YMKVAJIWFVCKAJ-UHFFFAOYSA-N 489.019 6.337 50 10 JKGE Brc1ccc(OCc2ccccc2)c([C@H](Br)C2CC3(CCCO3)C2)c1 2314499424 CJCWXBFCQDBKQU-ZWVUXNTGSA-N 466.213 6.423 50 10 JKGE COc1cc(C=C2C(=O)N(Cc3ccccc3)C(=O)C(C#N)=C2C)ccc1OCc1ccc(Cl)cc1 2314618646 QVONXKWLJBSBCZ-UHFFFAOYSA-N 498.966 5.720 50 10 JKGE CCc1ccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)C=Cc4ccc(Cl)cc4)ccc32)cc1 2314634348 GGLJEPPNQIDQCV-SANMLTNESA-N 456.929 5.739 50 10 JKGE Brc1cc(I)cc(O[C@H]2C[C@@H](Br)C23CCCC3)c1 2316757904 NWPPEVGOKHMZAT-OLZOCXBDSA-N 485.985 5.529 50 10 JKGE Brc1cc([C@@H](Br)[C@H]2COC3(CCC3)CO2)sc1Br 2316805654 WXMJZLKWASLNOX-SCZZXKLOSA-N 461.013 5.047 50 10 JKGE Cc1cc(Br)c(F)c(Br)c1[C@@H](Cl)c1ncsc1Br 2317402246 ASEUGSBFAHBVKR-MRVPVSSYSA-N 478.406 6.206 50 10 JKGE CCOc1ccc(CCNC=C(C#N)C(=O)Nc2ccccc2Sc2ccccc2)cc1OCC 2325339448 VGBVVNJIPVSETF-UHFFFAOYSA-N 487.625 5.813 50 10 JKGE CCc1cccc(CC)c1NC=C(C#N)C(=O)Nc1ccc(I)cc1C 2325406069 SBJKTQKGZRITHL-UHFFFAOYSA-N 459.331 5.183 50 10 JKGE COc1cc2nc(C(C#N)=Cc3cccc(OCc4ccc(C)cc4)c3)nc(O)c2cc1OC 2331039538 NLJAGTWXWHLIQA-UHFFFAOYSA-N 453.498 5.304 50 10 JKGE CCCCCCCOc1ccc(-c2csc(C(C#N)=C(O)c3ccc(Cl)c(Cl)c3)n2)cc1 2331344739 JCSCLXWFWJGJJB-UHFFFAOYSA-N 487.452 8.416 50 10 JKGE CCOc1ccc(-c2csc(C(C#N)=C(O)CCc3ccc(Cl)cc3)n2)c(OCC)c1 2331389103 RWHJFBRDGUFKOX-UHFFFAOYSA-N 454.979 6.686 50 10 JKGE CCOc1ccc(-c2csc(C(C#N)=Cc3cc(Br)ccc3O)n2)c(OCC)c1 2331473855 JVBXRGFTHQPZTQ-UHFFFAOYSA-N 471.376 6.140 50 10 JKGE Cc1cc([C@@H](Cl)c2c(F)cc(Cl)c(Br)c2Cl)oc1Br 2335374720 UOMGOZICWWEHNZ-SNVBAGLBSA-N 451.344 6.887 50 10 JKGE COc1cc([C@H](Br)c2cc(Br)ccc2OCc2ccccc2)ccc1C 2336047681 NRJMCHYCMDPGDS-QFIPXVFZSA-N 476.208 6.829 50 10 JKGE FC1(F)[C@H]2C[C@@](CBr)(Cc3ccc(Cl)c(I)c3)C[C@H]21 2337226882 DTPKGZWFTMRYAJ-DDFAGTSDSA-N 461.515 5.544 50 10 JKGE Clc1ccc(C[C@@H]2C[C@@H]3CCCC[C@@H]3[C@@H]2Br)cc1I 2337272986 PPQYFDJWDJJFLX-RSUWNVLCSA-N 453.589 6.077 50 10 JKGE Cc1cc(Br)c(F)c(Br)c1[C@H](Br)C1(CC2CC2)CC1 2339657115 UZBSFOIUQGAEQY-AWEZNQCLSA-N 455.003 6.675 50 10 JKGE Cc1csc([C@H](Cl)c2c(C)cc(Br)c(F)c2Br)c1Br 2339658637 KFENXDJJPSILJD-LLVKDONJSA-N 491.445 7.120 50 10 JKGE COC1([C@H](Br)c2c(F)cc(Cl)c(Br)c2Cl)CC(CF)C1 2360482913 CYMNMSJNCYMALJ-SKPUXYCPSA-N 452.948 6.096 50 10 JKGE Fc1c(Br)cc(Cl)c([C@H](Br)C[C@@H]2CCC[C@H]3C[C@@H]23)c1Br 2362228166 MMKMFIUGSWUGFG-AXTSPUMRSA-N 489.448 7.266 50 10 JKGE C[C@@H]1C[C@@H]2C[C@@H]2C[C@@H]1[C@H](Br)c1c(Cl)cc(Br)c(F)c1Br 2362248410 REPBHGSPNLWORV-CMDUOZMTSA-N 489.448 7.122 50 10 JKGE FC(F)(F)[C@]12C[C@]([C@@H](Cl)c3c(Br)sc(Br)c3Cl)(CO1)C2 2363843078 DTYBZYASOBSRAA-JUWDTYFHSA-N 474.951 6.318 50 10 JKGE Cc1cc(Br)c(F)c(Br)c1[C@@H](Br)C[C@@H]1CCCOCC1 2365187999 GUJLNTLLKVSHDT-MNOVXSKESA-N 473.018 6.302 50 10 JKGE Fc1ccc(CBr)c(OCc2cc(I)ccc2Cl)c1F 2380523233 RUPGYEKVGISTCW-UHFFFAOYSA-N 473.482 5.697 50 10 JKGE CC[C@@H](Oc1ccccc1[C@H](C)CC)C(=O)NNC(=O)c1ccc(NC(=O)C2CCCCC2)cc1 10683572 SCWHBBPFUGALGV-NTKDMRAZSA-N 479.621 5.338 50 10 JKGE COc1cc(/C=N/NC(=O)CSc2nc3ccccc3s2)ccc1OCCc1ccccc1 32519877 NSINCMOKGNAPIB-WGOQTCKBSA-N 477.611 5.169 50 10 JKGE COc1ccc(C)cc1N(C(=O)CCl)[C@H](C(=O)N[C@H]1CCCC[C@@H]1C)c1ccc(Cl)cc1 33910368 WUOCNUYIAKWAOU-REIDKSKDSA-N 477.432 5.665 50 10 JKGE CCCSc1ccc(-c2nn(-c3ccccc3)cc2/C=C(/C#N)S(=O)(=O)c2ccccc2)cc1 35445890 CFZDMOSUQSPOFX-ITYLOYPMSA-N 485.634 6.380 50 10 JKGE CCCCCOc1ccc(/C=C2/C(=O)N(CCc3ccc(OC)cc3)C(=O)C(C#N)=C2C)cc1OC 38608634 REPGHQZESSIRMS-JJIBRWJFSA-N 488.584 5.108 50 10 JKGE N#CC1=C(N)Oc2cc(OC(=O)c3ccccc3[N+](=O)[O-])ccc2[C@@H]1c1ccc(Cl)cc1Cl 38655321 GPQUDJJFUCCCMQ-NRFANRHFSA-N 482.279 5.339 50 10 JKGE CC(C)Oc1ccc(C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@@H]3c2cccc3ccccc23)cc1 38657811 OIQCAASXJYIEIL-MUUNZHRXSA-N 476.532 6.064 50 10 JKGE COc1ccc(Br)cc1[C@H]1C(C#N)=C(N)Oc2cc(OC(=O)c3ccc(F)cc3)ccc21 38660697 GZDZNXGDQURLPA-QFIPXVFZSA-N 495.304 5.034 50 10 JKGE C=CCOc1ccc(C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@H]3c2ccc(CC)cc2)cc1 38677242 XBWMMDXZJLTOJE-SANMLTNESA-N 452.510 5.251 50 10 JKGE CCCCCOc1ccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4ccc(C)cc4)ccc32)cc1 38685267 XXLPFFFBERFUGR-HHHXNRCGSA-N 468.553 6.001 50 10 JKGE CCCCCOc1ccccc1[C@H]1C(C#N)=C(N)Oc2cc(OC(=O)c3ccccc3Cl)ccc21 38686016 VHVMMGDTXQMHGO-AREMUKBSSA-N 488.971 6.346 50 10 JKGE O=C(C1CCCCC1)N(/N=C/c1ccc([N+](=O)[O-])s1)c1nc2ccc(Br)cc2s1 39713852 QDHNDVHIUYFRQU-SRZZPIQSSA-N 493.408 5.976 50 10 JKGE COc1cc(/C=C(\C#N)C(=O)NCc2ccccc2)ccc1OC(=O)COc1cc(C)ccc1C(C)C 40870043 PQRMHPYXKHBPCO-BUVRLJJBSA-N 498.579 5.335 50 10 JKGE Cc1c(Cl)cccc1NC(=O)/C(C#N)=C/c1cc(Br)ccc1OCc1cccc(F)c1 59233143 GSYQFRADIHHIOY-WOJGMQOQSA-N 499.767 6.675 50 10 JKGE CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(F)cc2)ccc1OCc1ccc(Br)cc1 59535023 JDJHNGUULZFPRF-CPNJWEJPSA-N 495.348 6.112 50 10 JKGE COc1cc([N+](=O)[O-])ccc1NC(=O)/C(C#N)=C\c1cc(C)n(-c2cccc(Cl)c2)c1C 97994796 YYGCKRUDGPYPQU-YVLHZVERSA-N 450.882 5.210 50 10 JKGE CCc1ccc(N2C(=O)[C@H](Cc3ccc(C)c(C)c3)S/C2=C(/C#N)C(=O)Nc2ccccc2)cc1 101244389 DSLNAOWECXNVDJ-HFVAWESISA-N 481.621 5.931 50 10 JKGE CCCCN1C(=O)C(C#N)=C(C)/C(=C\c2cn(-c3ccccc3)nc2-c2ccc(OCC)c(F)c2)C1=O 101333004 STUIKPOQKBGKIY-HZHRSRAPSA-N 498.558 5.469 50 10 JKGE Cc1ccc(N/C=C(/C#N)c2nc(-c3ccc(CC(C)C)cc3)cs2)c(Br)c1 102418013 WEHSLHHUOHNVQD-UYRXBGFRSA-N 452.421 7.056 50 10 JKGE Cc1ccc(C)c(OCCOc2ccc(/C=C(/C#N)C(=O)Nc3nc4ccccc4s3)cc2)c1 102444141 ODVCVMYCEFACLO-PGMHBOJBSA-N 469.566 5.917 50 10 JKGE Cc1cc(C)cc(N/C(SCc2ccc(C)cc2C)=C(\C#N)S(=O)(=O)c2ccccc2)c1 104689181 SLWFMAWCRUMKMC-QPLCGJKRSA-N 462.640 6.432 50 10 JKGE Cc1c(Br)cccc1[C@@H](Br)c1cc2[nH]c(=O)[nH]c2cc1Br 115983774 NSNOQAZIZBDXLG-CQSZACIVSA-N 474.978 5.174 50 10 JKGE BrCC(CBr)(Cc1ccc(Br)s1)c1ccccc1 118670755 UVNJYEARQFZDHH-UHFFFAOYSA-N 453.037 5.781 50 10 JKGE Cc1cc([C@@H](Br)c2ccccc2I)sc1Br 126787153 LLOYKQJJZYLWQI-NSHDSACASA-N 471.983 5.908 50 10 JKGE O=C(N/N=C\c1ccc(-n2nc(-c3ccccc3)cc2-c2ccccc2)cc1)c1ccccc1O 169886841 RMVXSEYZOHSWGA-COEJQBHMSA-N 458.521 5.676 50 10 JKGE CC1=C(C#N)C(=O)N(C(C)C)C(=O)/C1=C\c1cn(-c2ccccc2)nc1-c1cc(C)c2c(c1)C[C@@H](C)O2 214251380 ANFWCEYJEVPWOE-LPANUZLBSA-N 492.579 5.172 50 10 JKGE N#C/C(=C/Nc1cc(Br)ccn1)C(=O)Nc1ccccc1Sc1ccccc1 217244093 XMSJTRJDJFHEDN-PFONDFGASA-N 451.349 5.453 50 10 JKGE Clc1sc([C@@H](Br)Cc2cccc(Br)c2)cc1Br 227846021 XERPOABAIWUPGJ-VIFPVBQESA-N 459.428 6.605 50 10 JKGE O=C1NCCc2ccc([C@@H](Br)c3cc(Br)sc3Br)cc21 232452244 HIHOTZDSMLCLEH-GFCCVEGCSA-N 480.019 5.043 50 10 JKGE COc1ccc([C@@H](Br)c2ccc(Br)cc2Br)c(Cl)c1 234976408 NBGRAWWBKXDAEV-AWEZNQCLSA-N 469.398 6.358 50 10 JKGE COc1ccc([C@H](Cl)c2cc(I)ccc2Br)cc1C 234994654 VRCPTDWKRKHMMF-HNNXBMFYSA-N 451.529 5.699 50 10 JKGE Cc1sc([C@@H](Cl)c2cc(Cl)ccc2I)cc1Br 235971821 QORBRFFVEPNYDP-LBPRGKRZSA-N 461.977 6.405 50 10 JKGE Fc1cc(Br)c(Cl)cc1[C@H](Br)c1cc(Cl)ccc1Br 236230399 OBTDOQVOAAAEOK-CYBMUJFWSA-N 491.807 7.142 50 10 JKGE Cc1nn(-c2ccccc2)c(N(C2CCCCC2)C2CCCCC2)c1/C=N/NC(=O)c1ccncc1 253577439 XBQAYWPCQFNFFD-NJZRLIGZSA-N 484.648 5.811 50 10 JKGE CC(=NNC(=O)c1csc(C(C)C)c1)c1cccc(NC(=O)C(F)(F)C(F)(F)C(F)(F)F)c1 254760346 WZMAXGMGEQWJOQ-UHFFFAOYSA-N 497.436 5.797 50 10 JKGE COc1ccc([C@@H](Br)c2sccc2I)c(OC)c1Cl 311445598 QSRHEANEUYHHQQ-SNVBAGLBSA-N 473.557 5.508 50 10 JKGE Fc1ccc(Cl)cc1[C@H](Br)c1scc(C(F)(F)F)c1Br 312802052 IZMXJTZVLMGFLU-VIFPVBQESA-N 452.492 6.806 50 10 JKGE Clc1cc(Br)ccc1[C@@H]1CN(Cc2ccccc2)C[C@@H]1CI 382710271 GWRJPCHDYQYVCW-WMLDXEAASA-N 490.610 5.753 50 10 JKGE CC(C)(C)OC(=O)N1C[C@H](c2cc(Cl)ccc2Cl)[C@@H](CI)C1 382720302 MZSGXWJYKRCHDJ-GWCFXTLKSA-N 456.151 5.379 50 10 JKGE C[C@@H](Cl)c1nc2cc(Cl)ccc2n1CCCN(Cc1ccccc1)Cc1ccccc1 390470250 BSIVGTCWIXCDAV-HXUWFJFHSA-N 452.429 7.082 50 10 JKGE Fc1cc([C@H](Br)c2ccccc2OCc2ccccc2)c(F)cc1Br 394054594 BVYNNGILSWJAPL-HXUWFJFHSA-N 468.135 6.791 50 10 JKGE Cc1oc(Br)cc1[C@@H](Br)c1cc(Cl)c(Br)cc1F 396471613 OSCLXUXFKZIEOX-GFCCVEGCSA-N 461.350 6.390 50 10 JKGE Clc1ccc([C@@H](Cl)c2cc(Cl)c(Cl)c(Cl)c2Cl)cc1Br 404896615 YZQQYHAMDZNRFR-SNVBAGLBSA-N 453.805 8.044 50 10 JKGE O=C(NC1(CCBr)CCCC1)c1cc(Br)ccc1Br 687278917 XEYWINHXLBCOLJ-UHFFFAOYSA-N 454.000 5.039 50 10 JKGE COc1c(C)cc(Br)c(C)c1[C@@H](Br)c1c(Br)cnn1C 693082995 DYQBZZSHFWZJOF-GFCCVEGCSA-N 466.999 5.055 50 10 JKGE Cc1ccc([C@@H](Br)c2ccc(Cl)cc2Br)c(C)c1Br 719533335 DDLUBLGBUOKSQJ-OAHLLOKOSA-N 467.426 6.966 50 10 JKGE CC(=NNC(=O)C=C(Sc1ccccc1)Sc1ccccc1)c1ccc(Br)cc1 1083889472 XRHOURLPJFUTKX-UHFFFAOYSA-N 483.456 6.715 50 10 JKGE COc1cc(/C=C(/C#N)C(=O)Nc2cc(Cl)ccc2Cl)ccc1OCc1ccccc1Cl 1083911725 PFTFVKYQOJOJDN-YVLHZVERSA-N 487.770 6.780 50 10 JKGE Cc1ccc(COc2ccc(Br)cc2/C=C(/C#N)C(=O)Nc2ccc(F)cc2)cc1 1084212079 KYETVXPEFBESEL-UNOMPAQXSA-N 465.322 6.021 50 10 JKGE CCOC(=O)c1c(-c2ccc(C)cc2)csc1NC(=O)C(=O)Nc1ccc(SC#N)cc1 1860746334 LHZWGPVDEAVINR-UHFFFAOYSA-N 465.556 5.051 50 10 JKGE COC(=O)c1c(-c2ccc3c(c2)CCCC3)csc1NC(=O)C(=O)Nc1ccc(SC#N)cc1 1860749900 FLCFCDCBZDQMKX-UHFFFAOYSA-N 491.594 5.231 50 10 JKGE N#CC1=C(N)Oc2c(c(-c3ccccc3)nn2Cc2ccccc2Cl)[C@@H]1c1ccc(O)cc1 1865683280 CCCCXIICJZZRBB-JOCHJYFZSA-N 454.917 5.176 50 10 JKGE CCOc1cccc([C@@H]2C(C#N)=C(N)Oc3c2c(C(F)(F)F)nn3Cc2ccc(Cl)cc2)c1 1865690504 SYPIJGGLTCOUAM-GOSISDBHSA-N 474.870 5.220 50 10 JKGE CCCc1nn(Cc2cc(C)ccc2C)c2c1[C@@H](c1cc(Br)ccc1O)C(C#N)=C(N)O2 1865696292 LTJNDRUJAXTUKQ-QFIPXVFZSA-N 493.405 5.187 50 10 JKGE CCOc1cc([C@H]2C(C#N)=C(N)Oc3c2c(CC)nn3CC(C)C)ccc1OCc1ccccc1C 1865705287 QLQRUKBJHRFMTA-SANMLTNESA-N 486.616 5.606 50 10 JKGE CCCC[C@@H](NC(=O)/C=C(\CC)c1ccc(OC)cc1)C(=O)Nc1ccc(SC#N)cc1 1866687716 MENCZUAYQUJALV-YJCCFKNTSA-N 451.592 5.375 50 10 JKGE CCCC[C@@H](NC(=O)[C@@H](C)c1ccc(Br)cc1)C(=O)Nc1ccc(SC#N)cc1 1866946568 QLWXHTCQIVZVMZ-MGPUTAFESA-N 474.424 5.439 50 10 JKGE Cc1cc(OC/C(O)=C(\C#N)c2nc(-c3ccc(Cl)cc3Cl)cs2)cc(C)c1Cl 1872745058 UZPGOTDPIHOITC-MNDPQUGUSA-N 465.789 7.259 50 10 JKGE N#C/C(=C(/O)Cc1ccc(Br)cc1)c1nc(-c2cccc(Br)c2)cs1 1872745997 MTXURVYCSZQUDG-VLGSPTGOSA-N 476.193 6.370 50 10 JKGE Cc1cc(C)c(C)c(-c2csc(/C(C#N)=C(\O)c3ccc(N4CCOCC4)c([N+](=O)[O-])c3)n2)c1C 1872754204 IGBJARVHURWJPL-QQTULTPQSA-N 490.585 5.738 50 10 JKGE CCOc1ccc(-c2csc(/C(C#N)=C/c3ccc(OCc4ccccc4C)cc3)n2)cc1 1872790350 CDYZDVXGUGNJKO-LFVJCYFKSA-N 452.579 7.160 50 10 JKGE Cc1cc(C)c(C)c(-c2csc(/C(C#N)=C/c3cccc(OCc4ccccc4)c3)n2)c1C 1872792729 OPZUWYHDKYMHFC-AFUMVMLFSA-N 450.607 7.687 50 10 JKGE COc1cc(-c2csc(/C(C#N)=C/c3ccc(OCc4ccccc4)cc3)n2)c(OC)cc1Cl 1872793804 UFKBROSEHZFMHN-UDWIEESQSA-N 488.996 7.124 50 10 JKGE CCCOc1ccc(/C=C(\C#N)c2nc(-c3ccc(OCC)cc3OCC)cs2)cc1OCC 1872793903 ZTGBKDVVTXGNRU-XSFVSMFZSA-N 478.614 6.859 50 10 JKGE Fc1c(Br)cc(Cl)c([C@H](Br)[C@@H]2C[C@H]2Cl)c1Br 1900374177 ZHNJZITYFSTUFQ-TWOGKDBTSA-N 455.774 6.067 50 10 JKGE CCc1sc(Br)cc1[C@@H](Br)c1c(C)nsc1Br 1912940951 BJKWVPDWUVDLOK-SNVBAGLBSA-N 460.054 6.085 50 10 JKGE CC[C@H](Br)CN(Cc1ccccc1)C(=O)c1ccc(Br)c(Cl)c1 1915081417 NTZWQGCDOSURKC-HNNXBMFYSA-N 459.609 5.918 50 10 JKGE Cc1c(Br)sc([C@@H](Br)c2ccccc2C(C)(C)C)c1Br 1922883783 PRBHUNMLPKEDBS-ZDUSSCGKSA-N 481.091 7.363 50 10 JKGE Cc1c(Br)sc([C@H](Cl)c2cscc2C(F)(F)F)c1Br 1922894877 PINJQWSPUWPOSK-MRVPVSSYSA-N 454.558 6.990 50 10 JKGE C[C@H](c1ccncc1Br)[C@@H](Br)c1ccc(Cl)cc1Br 1924039622 LPGMQXQNXWVELW-XLKFXECMSA-N 468.414 6.500 50 10 JKGE Fc1cc(Cl)c(Br)cc1[C@H](Cl)c1sccc1I 1948498304 JUIBGUYCLQTXAR-JTQLQIEISA-N 465.940 6.236 50 10 JKGE COc1ccc([C@H](Br)c2cscc2OCc2ccccc2)cc1Br 1950318778 AAAKGNFPYVTYSP-IBGZPJMESA-N 468.210 6.583 50 10 JKGE CC[C@H](C)N(Cc1ccccc1)S(=O)(=O)c1cc(CBr)sc1Br 1984648641 FYRFAGRAMLJNDH-LBPRGKRZSA-N 481.275 5.395 50 10 JKGE FCCC1([C@@H](Br)c2c(Br)sc(Br)c2Br)CC1 1990546559 ZIPLKGVZTHBQTI-ZETCQYMHSA-N 499.863 6.611 50 10 JKGE CCN(C[C@@](C)(CI)OCC(CC)(CC)CC)C(=O)OC(C)(C)C 2011172770 LKAHZJOJIMYOFV-GOSISDBHSA-N 455.421 5.670 50 10 JKGE CCn1ncc(Br)c1[C@H](Cl)c1cc(Br)ccc1Br 2033240503 KTSLMYKIYRYSOZ-LLVKDONJSA-N 457.391 5.519 50 10 JKGE FC1(F)[C@@H]2CC[C@H]([C@H](Cl)c3c(Br)sc(Br)c3Br)[C@@H]21 2040540395 FEZVEOQXXXOKSK-LICXJRRXSA-N 485.413 6.607 50 10 JKGE CS(=O)(=O)C1([C@@H](Cl)c2c(Br)sc(Br)c2Cl)CCC1 2047872985 NGPQPZVDSYRMIG-ZETCQYMHSA-N 457.036 5.174 50 10 JKGE CCOc1ccc([C@H](Br)c2cc(Br)sn2)c(Br)c1 2056491690 SWAVLXSFTNYOTH-LBPRGKRZSA-N 455.997 5.551 50 10 JKGE CCOc1ccc(Br)cc1[C@H](Br)c1cc(Br)sn1 2056496486 OGZHKTBTCCDXHE-LBPRGKRZSA-N 455.997 5.551 50 10 JKGE Clc1c(Br)sc(Br)c1[C@@H](Br)C1(CC2CC2)CCC1 2069471596 AVWSWAGWNCWESI-SNVBAGLBSA-N 477.487 7.333 50 10 JKGE C=C(C)[C@@H]1CC[C@]2(C)[C@H](CC[C@@H]3[C@H]([C@](C)(O)C/C=C/C(C)(C)OO)CC[C@@]32C)[C@]1(C)CCC(=O)O 2069574985 LGAAOWVIOGAQEU-MILGXMQLSA-N 490.725 7.258 50 10 JKGE Cc1cccc(Br)c1[C@@H](Br)c1cc(C2CC2)c(Br)s1 2094673080 HBISMRCXAQUNGV-AWEZNQCLSA-N 465.048 6.943 50 10 JKGE BrCC1(Cc2cccc(Br)c2Br)CC2(CCOC2)C1 2095650141 VKKFZSYMMRAXCP-UHFFFAOYSA-N 453.012 5.336 50 10 JKGE Cn1nc(C[C@H](CBr)c2cccc(Br)c2)c(Br)c1Cl 2096681952 XQIQIUSSPVNZTJ-SECBINFHSA-N 471.418 5.320 50 10 JKGE C[C@H](Br)C12CCC(CC1)N2Cc1cccc(Br)c1Br 2097057075 MGBLXGNPQVKCFN-VLRKGOCCSA-N 452.028 5.492 50 10 JKGE Cc1cc(Br)c([C@@H](Br)C[C@@H]2COC(C)(C)C2)cc1Br 2103185474 BVZYSWWTPWXEQY-HZMBPMFUSA-N 455.028 6.161 50 10 JKGE Fc1cccc(OCc2ccc(Br)cc2Br)c1CBr 2104510264 DZFVNIHNFZXZID-UHFFFAOYSA-N 452.943 5.825 50 10 JKGE Cc1ccc(Oc2cc(Br)cc(F)c2CBr)cc1Br 2114266478 SNWLQXUNNZTZMW-UHFFFAOYSA-N 452.943 6.346 50 10 JKGE O=C(c1cc(Br)c(Br)s1)N1C[C@@H](Br)C2(CCCC2)C1 2117749267 NIXNMOJWUDGDHY-SNVBAGLBSA-N 472.040 5.053 50 10 JKGE FCCOc1ccc([C@@H](Br)c2sc(Br)cc2Br)cc1 2132972793 ZNTRKPSLOKCQQO-GFCCVEGCSA-N 472.999 6.106 50 10 JKGE Cc1cc([C@@H](Br)c2cc(Br)c(Cl)cc2C)ccc1Br 2137642884 MUJNDEYRJWCMRI-OAHLLOKOSA-N 467.426 6.966 50 10 JKGE Brc1ccc([C@@H](Br)c2cc3ccccc3s2)c(Br)c1 2138856029 YQDJWZWRKCZUCM-OAHLLOKOSA-N 461.016 6.911 50 10 JKGE Cc1cc([C@@H](Br)c2cc(Br)c3c(c2)C[C@H](C)O3)c(Br)s1 2157246181 YUSDLPTWLNFBDX-CPFSXVBKSA-N 481.047 6.389 50 10 JKGE CCOc1cc(CBr)cc(Br)c1OCc1cnsc1Br 2175848838 WXRKZMULTNAZOC-UHFFFAOYSA-N 486.023 5.541 50 10 JKGE C[C@H]1C[C@H](C(F)(F)F)N(CC2(CBr)CCCC2)CCN1C(=O)OC(C)(C)C 2178262644 FJGFVYUKDQHSPO-LSDHHAIUSA-N 457.375 5.204 50 10 JKGE C[C@]12CCO[C@](COc3c(Br)cc(Br)cc3CBr)(C1)C2 2193672278 FTTNYNHPSALJRC-GASCZTMLSA-N 469.011 5.445 50 10 JKGE COc1cc2c(cc1Br)nc([C@@H](C)Cl)n2C[C@@H](C)N(C)Cc1ccccc1 2202312666 XVIACZCNJFFQIP-HUUCEWRRSA-N 450.808 5.628 50 10 JKGE Cc1c(Br)csc1[C@H](Br)c1cc(Cl)c(Br)s1 2210635049 DEZOUPVIGALWHF-MRVPVSSYSA-N 465.457 6.781 50 10 JKGE CC1(C)C[C@@H](Cl)C[C@@H](c2sc(Br)c(Br)c2Br)C1 2216420739 ODFJHHIEEKBQPF-RQJHMYQMSA-N 465.476 6.937 50 10 JKGE Cc1sc(Br)c([C@@H](Br)c2c(C)sc(Br)c2C)c1C 2218795440 QRJZGFJUBRNBII-NSHDSACASA-N 473.093 7.053 50 10 JKGE COC[C@H](C)OC[C@H](Cl)Cc1sc(Br)c(Br)c1Br 2222473429 SLRHTYWWLAQADH-NKWVEPMBSA-N 485.463 5.237 50 10 JKGE Cc1c(Br)sc([C@H](Br)[C@H]2C[C@H]3CCC[C@H](C3)C2)c1Br 2225322886 YBKGJOLQPMZDOI-LSCVPOLPSA-N 471.096 7.234 50 10 JKGE C[C@H](Cn1c(CCCl)nc2cc(Br)c(Br)cc21)N(C)Cc1ccccc1 2225697925 VCPPMSAATRWDDN-CQSZACIVSA-N 499.678 5.863 50 10 JKGE Cc1sc(C(=O)N[C@@H](C)CCCCCI)c(C)c1Br 2226090380 WYZBSUXFSYCTML-VIFPVBQESA-N 458.203 5.241 50 10 JKGE CCCN[C@H](c1c(Br)cc(C)c(Br)c1C)[C@@H]1C[C@@H]1Br 2227349522 CQEHDFHKCOHYJU-ZETOZRRWSA-N 454.044 5.653 50 10 JKGE Cc1cc(Br)c([C@H](Br)[C@H](C)CC(F)(F)F)c(C)c1Br 2227354967 LMPZIILLJATBAR-JMCQJSRRSA-N 466.961 6.853 50 10 JKGE CC1(C)CN(Cc2ccc(I)c(Cl)c2)C[C@@H]1CCBr 2230159055 SQUFTODEXJYMKU-LBPRGKRZSA-N 456.593 5.188 50 10 JKGE CCn1cc(Br)c([C@H](Br)c2c(Br)cc(C)c(Cl)c2C)n1 2232529518 XQJQEGLDQWCLFE-GFCCVEGCSA-N 485.445 6.183 50 10 JKGE COc1cc(F)cc([C@@H](Br)c2ccc(Br)c(C)c2Br)c1 2234411254 FCMVIUJPRAGUEL-OAHLLOKOSA-N 466.970 6.152 50 10 JKGE CCc1cc([C@@H](Br)c2cc(C)sc2Br)sc1Br 2248005333 TYYPXULCFHSATK-JTQLQIEISA-N 459.066 6.690 50 10 JKGE Cc1sc([C@@H](Cl)c2ccc(Cl)c(I)c2)c(C)c1Br 2256336410 MSGRPOCECTVMOH-LBPRGKRZSA-N 476.004 6.714 50 10 JKGE C[C@H](Br)CN(C(=O)c1csc(Br)c1Br)C1CCC1 2259746572 XCNFEBPBQLOGAF-ZETCQYMHSA-N 460.029 5.051 50 10 JKGE Fc1ccc([C@H](Cl)c2ccc(Cl)c(I)c2)c(F)c1Br 2268272159 BPUZPPFLNGNCFX-GFCCVEGCSA-N 477.901 6.314 50 10 JKGE Cc1c(Br)ccc([C@H](Br)[C@H]2CCC[C@H]2C(F)F)c1Br 2270152505 BTELGBWCIUOUGG-IGJMFERPSA-N 460.982 6.637 50 10 JKGE CCCOc1ccc([C@@H](Br)c2cc(Br)co2)cc1Br 2270466525 ZCOIMACQWBUPDI-CQSZACIVSA-N 452.968 6.078 50 10 JKGE Fc1cc(Br)c(F)c(Br)c1[C@H](Br)[C@@H]1CCC[C@@H]2C[C@H]21 2272726768 QKSDZDCCKAJSCG-BMYQGPEFSA-N 458.966 6.362 50 10 JKGE C[C@@H](CC(C)(C)C)[C@@H](Br)c1c(F)cc(Br)c(F)c1Br 2272853333 ADZBBOUHQBEWLP-WRWORJQWSA-N 462.998 6.998 50 10 JKGE COc1cc(C)c(Br)c(C)c1[C@H](Br)c1cc(Br)c(C)s1 2285070820 UDCUSLIGHWCLSG-OAHLLOKOSA-N 483.063 6.691 50 10 JKGE CC1(C)CCC[C@]12[C@H](Br)C[C@H]2Oc1cc(I)ccc1Cl 2288255995 LAOQNBUJFVLYJN-IIAWOOMASA-N 469.588 6.056 50 10 JKGE CC(C)(C)C1CC(CBr)(NC(=O)c2cc(Br)sc2Br)C1 2289828134 ARKQIZBTMNXRDL-UHFFFAOYSA-N 488.083 5.593 50 10 JKGE Cc1ccc(Cl)cc1NC(=O)C(C#N)=Cc1cn(Cc2ccc3ccccc3c2)c2ccccc12 2294168592 UEGZWNOUOQXWNS-UHFFFAOYSA-N 475.979 7.350 50 10 JKGE COc1c(Br)cc(Cl)cc1[C@@H](Cl)c1c(F)cccc1I 2295278899 IEJABJVNGIEEDG-CYBMUJFWSA-N 489.937 6.183 50 10 JKGE COc1ccc(C[C@H]2SC(=C(C#N)C(=O)Nc3ccccc3C)N(c3ccccc3C)C2=O)cc1 2296507205 YFHHZPACHGNSFO-RUZDIDTESA-N 483.593 5.377 50 10 JKGE CCCN1CC(=Cc2ccc(Cl)cc2)C2=C(C1)[C@@H](c1ccc(Cl)cc1)C(C#N)=C(N)O2 2296547573 CEPYUCICWJSNHB-QHCPKHFHSA-N 452.385 5.864 50 10 JKGE Cc1cccc2cc(C=C(C#N)c3nc(-c4ccc(Cl)c(Cl)c4)cs3)c(Cl)nc12 2297315889 GWPIHAOKUWZAGG-UHFFFAOYSA-N 456.785 7.691 50 10 JKGE CCOc1cc(C=C(C#N)c2nc(-c3ccc(OC)c(OC)c3)cs2)ccc1OC(C)C 2297482040 VQYMWIBFESSYPR-UHFFFAOYSA-N 450.560 6.077 50 10 JKGE COc1cc(C=C(C#N)C(=O)Nc2ccccc2)cc(Cl)c1OCc1ccc([N+](=O)[O-])cc1 2297533405 PDWWYKIJTIKKGW-UHFFFAOYSA-N 463.877 5.381 50 10 JKGE C[C@H]([C@H]1CCCO1)[C@@H](Br)c1ccc(OCc2ccccc2)cc1Br 2299535944 UXLMPYWCHQJION-JSNMRZPZSA-N 454.202 6.279 50 10 JKGE Fc1c(Br)cc(Cl)c([C@H](Br)[C@@H]2CCOC2)c1Br 2300172489 RLDOXHUFLHAWLG-MLUIRONXSA-N 451.355 5.477 50 10 JKGE Clc1ccc([C@@H](Cl)c2sc(Cl)cc2I)c(Br)c1 2300996330 ZYJOZBSQCDQIEZ-SNVBAGLBSA-N 482.395 6.750 50 10 JKGE FC1(F)CC2(C[C@H]2[C@H](Br)c2cc(Br)ccc2OCc2ccccc2)C1 2314443829 IMOHVQMOAZLBIB-FUHWJXTLSA-N 472.167 6.900 50 10 JKGE Cc1cccc([C@H](Br)c2ccc(OCc3ccccc3)cc2Br)c1C 2314447651 AJMDSVRVMCLUFK-QFIPXVFZSA-N 460.209 7.129 50 10 JKGE N#CC(=Cc1ccc(OC(=O)C=Cc2ccco2)cc1)c1nc(-c2cc3ccccc3oc2=O)cs1 2314548799 YHRDAYPVRKGCIY-UHFFFAOYSA-N 492.512 6.192 50 10 JKGE CCOC(=O)c1c(NC(=O)C(C#N)=Cc2ccc(-c3ccc(F)cc3)o2)sc2c1CCCC2 2314571992 QDVRDTOOYSUANE-UHFFFAOYSA-N 464.518 5.748 50 10 JKGE CCc1ccc(N2C(=O)[C@H](Cc3ccccc3C)SC2=C(C#N)C(=O)N[C@@H](C)c2ccccc2)cc1 2314593452 NCEQSRYKWZKHLE-IDISGSTGSA-N 495.648 5.861 50 10 JKGE CCCCCCOc1ccc(C=C(C#N)C(=O)Nc2ccc(CC)cc2Br)cc1OC 2314951371 HXQOFELKBZRIML-UHFFFAOYSA-N 485.422 6.525 50 10 JKGE Cc1cc(Br)c(F)c(Br)c1[C@H](Br)[C@@]1(Cl)CC1(C)C 2317410089 GRVZSSKDSKUGDJ-AAEUAGOBSA-N 463.410 6.503 50 10 JKGE Cc1cc(Br)c(F)c(Br)c1[C@H](Cl)c1cnsc1Br 2317429972 YLALVBSCZAVVOP-SECBINFHSA-N 478.406 6.206 50 10 JKGE Clc1ccc([C@@H](Br)c2ccc(C3CC3)s2)c(I)c1 2317775976 RUNDURHZRGYIHI-CQSZACIVSA-N 453.570 6.368 50 10 JKGE CCOc1cc(C(=O)Oc2ccc(C=C(C#N)c3ccc(Cl)cc3)cc2)cc(OCC)c1OCC 2320506569 MKYMCMYFXVUECU-UHFFFAOYSA-N 491.971 6.819 50 10 JKGE N#CC(=CNc1ccc(C(F)(F)F)cc1)C(=O)N1CCN(C(c2ccccc2)c2ccccc2)CC1 2324609705 MNMWZPMEDUVOSA-UHFFFAOYSA-N 490.529 5.459 50 10 JKGE N#CC(=CNc1ccccc1Sc1ccccc1)C(=O)Nc1ccc(Oc2ccccc2)cc1 2325129986 YJKPLKIOTTVNFM-UHFFFAOYSA-N 463.562 7.088 50 10 JKGE COc1ccc2c(c1)c(C=C1Oc3cc(OCc4cccc(CCl)c4)cc(C)c3C1=O)cn2C 2325361193 BKSIGDVEQAZXHN-UHFFFAOYSA-N 473.956 6.429 50 10 JKGE Cc1cccc(C)c1N1C(=O)c2ccc(NC(=O)C(C#N)=Cc3cccc(Cl)c3)cc2C1=O 2329685287 YCPYGACRJRTEQU-UHFFFAOYSA-N 455.901 5.303 50 10 JKGE N#CC(=C(O)COc1cc(Cl)ccc1Cl)c1nc(-c2ccc3c(c2)CCCC3)cs1 2331239961 ZDXWBFMKSWOAID-UHFFFAOYSA-N 457.382 6.867 50 10 JKGE CCOc1ccc(-c2csc(C(C#N)=C(O)[C@@H](C)Oc3ccccc3C(C)C)n2)c(OCC)c1 2331386514 HHKDFMWCNVQFNE-GOSISDBHSA-N 478.614 6.991 50 10 JKGE COc1cc(C=CC(O)=C(C#N)c2nc(-c3ccc(Cl)s3)cs2)cc(OC)c1OC 2331401984 ADGRBOPJQCTAKX-UHFFFAOYSA-N 460.964 6.057 50 10 JKGE COc1ccc(-c2csc(C(C#N)=C(O)[C@@H]3CC(=O)N([C@@H](C)c4ccccc4)C3)n2)c2ccccc12 2331406480 QRQCLHSSSLMYIV-AZUAARDMSA-N 495.604 6.374 50 10 JKGE CCCCCOc1ccc(C=C(C#N)c2nc(-c3cc(C(C)(C)C)ccc3OC)cs2)cc1OC 2331461062 FRHSCAZRSJQXTG-UHFFFAOYSA-N 490.669 7.758 50 10 JKGE COc1c(C)cc(Cl)cc1-c1csc(C(C#N)=Cc2ccc(OCc3ccccc3)cc2)n1 2331474377 BVUHDLSDBKWNFB-UHFFFAOYSA-N 472.997 7.424 50 10 JKGE Fc1cc(Br)c(F)c(Br)c1[C@@H](Br)[C@@]12CCCC[C@@H]1C2 2334720377 VJGMTGAESSGQHQ-HGDANNRKSA-N 458.966 6.506 50 10 JKGE Cn1ncc(Br)c1[C@@H](Br)c1c(F)cc(Cl)c(Br)c1Cl 2335302768 SMQGTEBDAVMZQK-VIFPVBQESA-N 495.799 5.875 50 10 JKGE CC1(C)[C@@H]([C@@H](Br)c2c(Cl)cc(Br)c(F)c2Br)C1(F)F 2337085525 ZGMZMNFFQDWBTF-WCBMZHEXSA-N 485.363 6.731 50 10 JKGE Cc1nc([C@H](Cl)c2c(C)cc(Br)c(F)c2Br)c(Br)s1 2339658858 MOBRBNMBZCVSEK-SECBINFHSA-N 492.433 6.515 50 10 JKGE C[C@H](c1ccncc1F)[C@@H](Br)c1ccc(Br)cc1I 2344707823 AVMRKEMAWVOEMX-XLKFXECMSA-N 498.959 5.828 50 10 JKGE Fc1cc(Cl)c(Br)c(Cl)c1[C@H](Br)C(F)(F)[C@@H]1CCOC1 2360426055 ICVCYSXOESUZDY-GCXOYZPQSA-N 456.911 6.003 50 10 JKGE COc1cc(Br)c(C)cc1[C@H](Br)c1c(Br)nc(C)n1C 2362446634 NCAWXYUJCFHLOE-LBPRGKRZSA-N 466.999 5.055 50 10 JKGE C[C@]12C[C@H](C1)[C@@H]([C@H](Br)c1c(Cl)cc(Br)c(F)c1Br)CO2 2362912196 XNMPVIBRGLULKE-AXOKYAICSA-N 491.420 6.255 50 10 JKGE Cn1nc(Br)c(Br)c1[C@@H](Cl)c1ccc(-c2cccs2)s1 2364068603 DJEBXIDTXDYCMH-NSHDSACASA-N 452.624 6.063 50 10 JKGE COc1c(Br)cc(C)c([C@H](Br)[C@@H]2[C@@H]3CCOC[C@H]32)c1Br 2365235693 MBSYANYZEAXCIH-RQSQLSILSA-N 469.011 5.247 50 10 JKGE CCOC(=O)c1c(-c2ccccc2)csc1NC(=O)/C(C#N)=C\c1ccc(OCC)c(OC)c1 1986293 AODBJHVROKTZHJ-UYRXBGFRSA-N 476.554 5.545 50 10 JKGE O=C(NC1CCCC1)[C@@H](c1cccc(Br)c1)N(Cc1ccc(Cl)cc1)C(=O)CCl 3039626 MZEDGGPJMYIGAV-OAQYLSRUSA-N 498.248 5.470 50 10 JKGE CC(C)(C)c1ccc(/C=N/NC(=O)CSc2nc(=O)c3c(-c4ccccc4)csc3[nH]2)cc1 19646086 CQTSDNXAJJULDK-LGJNPRDNSA-N 476.627 5.192 50 10 JKGE Cc1cccn2c(=O)c(/C=C(/C#N)c3nc4ccccc4s3)c(Oc3ccc(Cl)cc3)nc12 33629829 QFGJAIKDDOFUDB-SSZFMOIBSA-N 470.941 6.123 50 10 JKGE CCCCSc1ccc(-c2nn(-c3ccccc3)cc2/C=C(\C#N)c2nc3ccccc3[nH]2)cc1 34380791 DSNBWTOCRQOTTB-RELWKKBWSA-N 475.621 7.372 50 10 JKGE Cc1ccccc1-c1nc(OC(C)C)nn1-c1ccc(NC(=O)[C@@H](Cl)c2ccccc2)cc1 35806466 BSNIPJBZONCMSG-QHCPKHFHSA-N 460.965 5.949 50 10 JKGE Cc1ccc(OCC(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@@H]3c2ccc(Cl)cc2)cc1C 38651391 ZBXYDDPQTLZOHP-RUZDIDTESA-N 460.917 5.159 50 10 JKGE Cc1ccc2c(Cl)c(C(=O)Oc3ccc4c(c3)OC(N)=C(C#N)[C@@H]4c3ccccc3F)sc2c1 38687923 KUOUTUFRDNYKEB-JOCHJYFZSA-N 490.943 6.440 50 10 JKGE N#C/C(=C/c1cc(Br)ccc1OCc1ccccc1Cl)c1nc2ccccc2[nH]1 50575021 KRHFEPNXCQSQCX-BOPFTXTBSA-N 464.750 6.622 50 10 JKGE CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(Cl)cc2)ccc1OCc1ccc(F)cc1 59116942 OYIGXLGCSSBXOV-CPNJWEJPSA-N 450.897 6.002 50 10 JKGE O=C(N/N=C(/CSc1nc2ccccc2[nH]1)c1ccc(-c2ccccc2)cc1)c1cccc(Cl)c1 59460676 NARUORLOKZPLBX-FSRJSHLRSA-N 497.023 6.810 50 10 JKGE COc1cccc(/C=C(/C#N)C(=O)Nc2ccc3c(c2)OCCO3)c1OC/C=C\c1ccccc1 96438560 WDZNVHYHUQRVBG-OMKMEUBWSA-N 468.509 5.104 50 10 JKGE Cc1ccccc1C(=O)Nc1cccc(C(=O)N/N=C/c2cc(Cl)cc(Br)c2O)c1 97729846 RLTKQQBPEBIPKK-BRJLIKDPSA-N 486.753 5.133 50 10 JKGE COc1c(Br)cc(Cl)cc1[C@H](Br)c1ccc(Br)cc1 109836134 OUNBJTJDBLVZBC-CYBMUJFWSA-N 469.398 6.358 50 10 JKGE COc1ccc(CC(CBr)(CBr)CC(C)C)cc1Br 118669752 GGAOFGVWLOWKOF-UHFFFAOYSA-N 457.044 5.823 50 10 JKGE CCOc1ccc([C@H](Br)c2cc(Cl)c(Br)s2)cc1OCC 128143729 WZLQCIRBGNGCGL-AWEZNQCLSA-N 454.611 6.446 50 10 JKGE Fc1ccc(CC(CBr)(CBr)c2cccc(Br)c2)cc1F 149987704 JYTOHMMDSADOIY-UHFFFAOYSA-N 482.988 5.998 50 10 JKGE Cc1cc(Br)c(S(=O)(=O)Nc2ccc(CCl)cc2)cc1Br 155820720 LGNOAABUMVLQFM-UHFFFAOYSA-N 453.583 5.060 50 10 JKGE Brc1ccccc1[C@@H](Br)c1csc2c(Br)cccc12 163383725 SUVDMQNZAHXDFZ-CQSZACIVSA-N 461.016 6.911 50 10 JKGE N#C/C(=C/N1CCN(c2ccc(F)cc2)CC1)C(=O)Nc1ccccc1Sc1ccccc1 217243496 DIEBURJQWUNEST-VXPUYCOJSA-N 458.562 5.145 50 10 JKGE CCOc1ccc([C@H](Br)c2ccc(Br)c(C)c2)cc1Br 228994070 JQIRPTOXYMJKQV-MRXNPFEDSA-N 463.007 6.403 50 10 JKGE Brc1cc([C@@H](Br)Cc2cccc3ccccc23)c(Br)s1 232474653 CZHAOMQQDGIBLU-AWEZNQCLSA-N 475.043 7.105 50 10 JKGE Fc1ccc([C@@H](Br)Cc2cccc(Br)c2)c(I)c1 236164613 WHHUKAYIVYVZER-ZDUSSCGKSA-N 483.944 5.872 50 10 JKGE C=CCn1c(CNc2cccc3ccccc23)nnc1SCC(=O)NN=Cc1ccccc1Cl 252632018 VOFDKGXPZWSIGK-UHFFFAOYSA-N 491.020 5.125 50 10 JKGE Cc1ccccc1-n1c(SCC(=O)NN=Cc2cccc3ccccc23)nc2ccccc2c1=O 254441238 GDAARULKOULYTI-UHFFFAOYSA-N 478.577 5.090 50 10 JKGE COc1ccc(C=NNC(=O)c2ccc(-c3csc(Nc4ccc(C)cc4)n3)cc2)c(OC)c1 254812532 KGKBYHFATAGKGJ-UHFFFAOYSA-N 472.570 5.643 50 10 JKGE CCCOc1ccc(-c2nn(-c3ccccc3)cc2C=NNC(=O)COc2ccc(C)cc2)cc1 254827949 AQDHKFCZYRWTIC-UHFFFAOYSA-N 468.557 5.166 50 10 JKGE Brc1cc([C@@H](Br)c2cc(Br)c(Br)s2)co1 306676245 VPRZSJCHHYKEOF-MRVPVSSYSA-N 479.813 6.113 50 10 JKGE BrCc1c(I)cc(I)c2sccc12 306798427 CKLIVLMXUDDDOR-UHFFFAOYSA-N 478.918 5.005 50 10 JKGE C[C@@H]1CCC[C@@H](CO[C@](C)(CI)c2ccccc2Br)C1 379879425 OSKANVKKOACDCF-CKEIUWERSA-N 451.186 5.942 50 10 JKGE C[C@@H](Br)CC(C)(C)CNC(=O)c1ccc(Br)cc1Br 393549305 AAHWHBXYPLGUJK-SECBINFHSA-N 456.016 5.141 50 10 JKGE CC(C)(C)[Si](C)(C)OC[C@@H]1OC=C[C@H](O[Si](C)(C)C(C)(C)C)[C@H]1OCc1ccccc1 504292124 CZGTZYNJABAJPH-RJGXRXQPSA-N 464.795 6.897 50 10 JKGE CC(C)(C)[Si](C)(C)OCCN1CCCO[C@@H](c2cccc(CO[Si](C)(C)C(C)(C)C)c2)C1 616599581 XBZQCYQFJJGUNI-XMMPIXPASA-N 479.854 6.994 50 10 JKGE COCc1cc(Br)c([C@@H](Br)c2c(F)cccc2Br)s1 688147478 RECJKNXJKVMZQG-LBPRGKRZSA-N 472.999 6.043 50 10 JKGE CCn1cc([C@@H](Cl)c2cc(Br)ccc2Br)nc1Br 698353631 DXTODEOHIQUYAT-NSHDSACASA-N 457.391 5.519 50 10 JKGE FC(F)(F)c1csc([C@H](Br)c2ncsc2Br)c1Br 698647630 JXTKIQPLEYZACN-RXMQYKEDSA-N 485.970 6.233 50 10 JKGE Fc1cc(Br)cc(CBr)c1OCc1ccncc1Br 715721640 OSLFQKFCBGWRFS-UHFFFAOYSA-N 453.931 5.220 50 10 JKGE C[C@@H]1Cc2cc(Br)cc([C@@H](Br)c3ccc(Br)s3)c2O1 720031282 HBLPMCRGQLPSOG-FUXBKTLASA-N 467.020 6.081 50 10 JKGE C[C@H](c1ccccn1)[C@H](Br)c1ccc(I)c(Br)c1 721580959 WJPMGZPFYTVXBS-OTYXRUKQSA-N 480.969 5.688 50 10 JKGE O=C(OCc1ccccc1)N1C[C@@H](CBr)[C@H](c2cccc(OC(F)(F)F)c2)C1 1614689515 BFCBIVVAZRXGQR-AEFFLSMTSA-N 458.274 5.332 50 10 JKGE CCCCCCOc1ccc(C=NNC(=O)COc2ccc(C(C)(C)C)cc2Br)cc1 1772755673 OGRLYPMDGJQYNO-UHFFFAOYSA-N 489.454 6.235 50 10 JKGE C=C1CC[C@H](O[Si](C)(C)C(C)(C)C)C/C1=C/C=C1\CCC[C@]2(C)[C@@H]1CC[C@H]2[C@H](C)CCCC(C)C 1777003578 DWIUSINKAVTSCC-ABDHBAOBSA-N 498.912 10.649 50 10 JKGE N#CC1=C(N)Oc2c(c(C(F)(F)F)nn2Cc2ccccc2F)[C@H]1c1ccc(Cl)c(Cl)c1 1865686499 WYZSYGPPWPWVNT-INIZCTEOSA-N 483.252 5.614 50 10 JKGE CCCOc1ccc([C@@H]2C(C#N)=C(N)Oc3c2c(-c2ccccc2)nn3-c2cccc(Cl)c2)cc1 1865692499 BVYMKXIGSHDGLP-XMMPIXPASA-N 482.971 6.200 50 10 JKGE N#CSc1ccc(NC(=O)[C@@H](Cc2ccc(O)cc2)NC(=O)CCCc2cccc(Cl)c2)cc1 1867119300 FBWRGTHTYLAPSX-XMMPIXPASA-N 494.016 5.308 50 10 JKGE C[C@H]1CN(c2cc(Nc3ccc(SC#N)cc3)nc(-c3ccccc3Cl)n2)C(C)(C)CO1 1868414069 HPZIYMIOGUBHCB-INIZCTEOSA-N 466.010 6.117 50 10 JKGE CC(C)(C)N1C[C@@H](/C(O)=C(\C#N)c2nc(-c3ccc(Oc4ccccc4)cc3)cs2)CC1=O 1872753553 CPCIKGGSESBGNG-YQMDHOPXSA-N 459.571 6.042 50 10 JKGE COc1ccc(OCCC/C(O)=C(\C#N)c2nc(-c3cc(C(C)(C)C)ccc3C)cs2)cc1 1872755687 ADJWDXYWCRBTOI-BZZOAKBMSA-N 462.615 7.077 50 10 JKGE CCN(Cc1ccccc1)c1ccc(/C=C(\C#N)c2nc(-c3ccc(F)c(C)c3)cs2)cc1 1872790887 JUYXIVHQUOGFNE-LFVJCYFKSA-N 453.586 7.348 50 10 JKGE C[C@H]1CN(Cc2ccccc2)C[C@@H](C)CN1c1cccc(Br)c1CBr 1921467530 AYSRTNVBVBVXSF-SJORKVTESA-N 466.261 5.691 50 10 JKGE Cc1c(Br)sc([C@@H](Br)C(C)(C)C2CCCC2)c1Br 1922933282 UVUQTBNIXPVIDL-GFCCVEGCSA-N 459.085 7.234 50 10 JKGE CSc1ccccc1[C@@H](Br)c1sc(Br)c(C)c1Br 1922954060 KIHNLKNPDVEPCC-LLVKDONJSA-N 471.077 6.788 50 10 JKGE Clc1c(Br)sc(Br)c1[C@H](Br)C[C@@H]1CC[C@@H]2C[C@H]12 1923066901 WKEXTZZUCQLLHD-VGRMVHKJSA-N 463.460 6.799 50 10 JKGE FC1(F)CCC[C@@H]1[C@@H](Cl)c1c(Br)sc(Br)c1Br 1924583099 FXBZTDNASPJVIK-CLZZGJSISA-N 473.402 6.751 50 10 JKGE Cl[C@H](CC1CCCCCC1)c1c(Br)sc(Br)c1Br 1924592266 XKEDNJGJHAKDJS-SECBINFHSA-N 479.503 7.676 50 10 JKGE C[C@@H]1CO[C@H]([C@@H](Cl)c2c(Br)sc(Br)c2Br)C1 1924612346 AUHMIMPCBJKGHT-ZVQZEWSASA-N 453.421 5.741 50 10 JKGE C[C@H]1CN(Cc2ccccc2)[C@H](C)CN1c1ccc(CBr)c(Br)c1 1946784187 XRSKJZZBBWUCOT-CVEARBPZSA-N 452.234 5.443 50 10 JKGE Clc1c(Br)sc(Br)c1[C@H](Br)[C@]12CCOC[C@H]1C2 2018506926 HCKFLOBHIUPMJK-ZXHVRRQWSA-N 465.432 5.789 50 10 JKGE Cc1c(Br)sc([C@H](Br)[C@@H]2C[C@@]2(C)C(F)(F)F)c1Br 2043570098 MMGXZSQQMHKOIN-WVBSTYLSSA-N 470.974 6.606 50 10 JKGE Clc1cc(COc2c(Br)cc(CBr)cc2Br)sn1 2048358401 OVGZNQZJPDYESB-UHFFFAOYSA-N 476.415 5.795 50 10 JKGE Brc1cc([C@@H](Br)C2C3(CCC3)C23CCC3)c(Br)s1 2083560311 FSNCWAQJYSPVOS-SNVBAGLBSA-N 455.053 6.680 50 10 JKGE BrCc1ccc(N2CC[C@H]3CCN(Cc4ccccc4)C[C@@H]3C2)c(Br)c1 2092523599 JEGWOIMSPUBGIE-WOJBJXKFSA-N 478.272 5.692 50 10 JKGE Fc1cc(Cl)c(Br)cc1[C@H](Cl)c1ccc(I)c(Cl)c1 2097833217 AWCXYDIPFOLTKP-CYBMUJFWSA-N 494.356 6.828 50 10 JKGE C[C@]12CN(Cc3ccccc3)C[C@@H]1CN(c1c(CBr)ccc(Br)c1Cl)C2 2098116480 IYTMADJIPIPEDU-DYESRHJHSA-N 498.690 5.956 50 10 JKGE C[C@H](Cl)c1nc2cc(Br)c(Cl)cc2n1CC1CN(Cc2ccccc2)C1 2103807626 MMEVQXUNIZYTFT-ZDUSSCGKSA-N 453.211 5.884 50 10 JKGE FC1(F)[C@H]2C[C@H](Oc3c(Br)cc(Br)cc3CBr)C[C@H]21 2107517432 HPHAICWQASUILR-OWUUHHOZSA-N 460.938 5.529 50 10 JKGE CC1(C)C[C@@H](CBr)CN(Cc2cc(Cl)ccc2I)C1 2115964141 IVSOMAYRGCQFJT-NSHDSACASA-N 456.593 5.188 50 10 JKGE CC1(C)CCCC[C@@]1(CBr)Cc1cccc(Br)c1Br 2117016209 XZDGKMZIXWSNOJ-INIZCTEOSA-N 453.056 6.736 50 10 JKGE F[C@@H](CBr)C1CCN(Cc2cc(Br)ccc2Br)CC1 2118529333 NVYYCQZRUUOGJB-AWEZNQCLSA-N 458.007 5.157 50 10 JKGE FCCOc1ccc([C@H](Br)c2cc(Br)sc2Br)cc1 2132968114 OJOWXOGKVJJULW-LBPRGKRZSA-N 472.999 6.106 50 10 JKGE Cc1cc([C@H](Br)c2c(Br)cc(F)c(Cl)c2F)sc1Cl 2136967543 VOPFROCLDPRROB-VIFPVBQESA-N 450.957 6.888 50 10 JKGE Cc1c(Br)ccc([C@@H](Br)C23CCC(CC2)CC3)c1Br 2138859998 ABPREBJZTAQPGH-YWCUFVOSSA-N 451.040 6.926 50 10 JKGE Cc1ccc(Br)c([C@@H](Cl)c2ccc(Br)c(C)c2Br)c1 2138862778 KPHQIMMJEFCITL-HNNXBMFYSA-N 467.426 6.919 50 10 JKGE Cc1cc(F)c(F)cc1[C@@H](Cl)c1cc(I)ccc1Br 2139634905 YWCAPUBHCFYIJU-CQSZACIVSA-N 457.483 5.969 50 10 JKGE O=S(=O)(c1ccc(Cl)c(CCl)c1Cl)N(CCC(F)(F)F)Cc1ccccc1 2152211327 KWYKAJMJEPITKB-UHFFFAOYSA-N 460.732 5.876 50 10 JKGE Cc1cc([C@@H](Br)c2ccc(Br)c3ccccc23)c(Br)s1 2157248794 MNIBRPFEUMGGCX-HNNXBMFYSA-N 475.043 7.219 50 10 JKGE CCOc1ccc(Br)cc1[C@@H](Br)c1nn(C)c(Br)c1C 2168214617 BDAZMPUHMNNDSR-GFCCVEGCSA-N 466.999 5.137 50 10 JKGE CCc1cc([C@@H](Br)c2cccc(C)c2I)c(F)cc1F 2175377271 XWHUVGISAQXHGN-HNNXBMFYSA-N 451.092 5.925 50 10 JKGE Cc1c(Br)ccc([C@H](Br)[C@@H]2CCCCCC2(F)F)c1Br 2203707326 VLAHFWBFWYOIDQ-FZMZJTMJSA-N 475.009 7.172 50 10 JKGE COc1cc(F)c(F)cc1[C@H](Br)c1cccc(Br)c1Br 2204481810 RPAPOVJPGVTSBF-CYBMUJFWSA-N 470.933 5.983 50 10 JKGE COc1c(C)cc(Br)cc1[C@@H](Cl)c1ccc(Br)cc1Br 2206585971 GXYUBQJLOFDIGF-AWEZNQCLSA-N 483.425 6.619 50 10 JKGE CC[C@H]1CN(C(=O)OCc2ccccc2)[C@@H](CC)CN1CCCCCI 2211184597 FAGVDONSVHTIBF-PMACEKPBSA-N 472.411 5.103 50 10 JKGE Cc1cc([C@@H](Br)c2c(C)sc(Br)c2C)ccc1Br 2218800333 JHPQUUXEOVTQGN-CYBMUJFWSA-N 453.037 6.683 50 10 JKGE Brc1ccc([C@@H](Br)c2ccc3c(c2Br)CCO3)s1 2222188829 KAYQCXYPAFPZFN-ZDUSSCGKSA-N 452.993 5.692 50 10 JKGE COc1ccsc1[C@H](Br)c1c(Br)cc(Cl)c(Cl)c1Cl 2224302322 KOMDMPUADNTFDH-SECBINFHSA-N 465.421 6.964 50 10 JKGE Fc1cc(F)c([C@H](Cl)c2cc(Br)sc2Br)c(F)c1Br 2227803288 OBSNVUYREBJQJF-SECBINFHSA-N 499.371 6.781 50 10 JKGE Cc1c(F)ccc([C@H](Br)c2cc(Br)ccc2Br)c1F 2231078431 HCWJYKGULVSWFH-ZDUSSCGKSA-N 454.934 6.283 50 10 JKGE CC1(C)[C@H]2CC[C@@H](C2)[C@H]1[C@@H](Br)c1cc(Br)c(Br)cc1F 2233978195 YYOVHJJPINVTHE-DMAMZFHHSA-N 469.030 6.859 50 10 JKGE Fc1cc(Br)c(Br)cc1[C@H](Br)[C@@H]1OC[C@@H]2CCCC[C@@H]21 2233982298 SUUYXHYTDVVBJE-WDQYXFPCSA-N 471.002 5.992 50 10 JKGE COc1cc(Br)c([C@H](Br)Cc2cccc(Br)c2)cc1C 2236015086 ZDAIPZGLPZJFPT-CQSZACIVSA-N 463.007 6.207 50 10 JKGE COc1ccc([C@@H](Br)c2csnc2Br)c(Br)c1Cl 2256323970 VWZYPGWQEAHLBG-MRVPVSSYSA-N 476.415 5.814 50 10 JKGE Cc1cc(Cl)c(Br)cc1[C@@H](Br)c1cccc(Cl)c1Br 2267983105 HCTPLKMCQFFWHC-ZDUSSCGKSA-N 487.844 7.311 50 10 JKGE C[C@@H](Cl)c1nc2cc(I)c(F)cc2n1[C@H]1C[C@H](Br)C1 2277877060 OZNUAZFVKHREGL-BWZBUEFSSA-N 457.512 5.178 50 10 JKGE CC1(C)[C@@H]2CC([C@@H](Br)Cc3cc(Br)cc(Br)c3)C[C@H]21 2277950784 YDPVZUSSGDTSRY-KFWWJZLASA-N 451.040 6.200 50 10 JKGE Fc1ccc([C@@H](Br)Cc2cc(Br)cc(Br)c2)c(Cl)c1 2277954577 GCJCZYYSJINOSM-ZDUSSCGKSA-N 471.389 6.683 50 10 JKGE CCc1cc([C@@H](Br)c2c(F)cccc2I)c(F)cc1F 2282904760 QMNIJYDZTUFBQC-OAHLLOKOSA-N 455.055 5.755 50 10 JKGE COc1ccc([C@@H](Br)c2cccc(C)c2Br)c(Br)c1Cl 2283564157 RHBZGFZNURVPGT-ZDUSSCGKSA-N 483.425 6.666 50 10 JKGE C=CCC1(CBr)CCN(C(=O)c2cc(Br)c(Br)s2)CC1 2287790853 JRRSXLOCNMWTTL-UHFFFAOYSA-N 486.067 5.467 50 10 JKGE Fc1cc(Br)c(F)c(Br)c1[C@H](Br)[C@@H]1C(F)(F)C12CCC2 2288499453 UIZHXPSFEGYPJN-ONGXEEELSA-N 480.919 6.361 50 10 JKGE COc1ccc2nc(C(C#N)=Cc3ccc(OCc4ccc(Cl)c(Cl)c4)c(OC)c3)[nH]c2c1 2294284768 SWSWWHJJTFHNHR-UHFFFAOYSA-N 480.351 6.530 50 10 JKGE Fc1cc([C@@H](Br)Cc2cc(Br)cc(Br)c2)cc(F)c1F 2295345689 PCGZLTOPELJPIR-NSHDSACASA-N 472.924 6.308 50 10 JKGE COc1c(Br)cc(Cl)c(C)c1[C@@H](Cl)c1ccc(I)cc1 2295374055 ZNKYHPMTLOYBJD-AWEZNQCLSA-N 485.974 6.352 50 10 JKGE COc1ccc(Oc2cc(C)cc(Br)c2CBr)cc1Br 2295454634 XUUXKHVDVZYKGZ-UHFFFAOYSA-N 464.979 6.216 50 10 JKGE CCCCOc1ccc(-c2nn(-c3ccccc3)cc2C=C(C#N)C(=O)NCc2cccnc2)c(C)c1 2296707779 JVSNVELTHFYYDU-UHFFFAOYSA-N 491.595 5.645 50 10 JKGE C=CCOC(=O)c1sc(NC=C(C#N)c2nc(-c3ccccc3)cs2)c(C(=O)OCC)c1C 2296789926 BRIHPGGZGIFSIR-UHFFFAOYSA-N 479.583 5.676 50 10 JKGE COc1ccc(OCCn2cc(C=C(C#N)C(=O)Nc3nc4ccccc4s3)c3ccccc32)cc1 2297500339 GHNMCVXMRZBWGG-UHFFFAOYSA-N 494.576 5.884 50 10 JKGE FC1(F)CC[C@H]1C[C@@H](Br)c1ccc(OCc2ccccc2)cc1Br 2299492618 DBXUWYXICFJGGT-WMLDXEAASA-N 460.156 6.900 50 10 JKGE Cc1c(Br)csc1[C@@H](Cl)c1cc(Br)ccc1OCc1ccccc1 2299497961 YHVCEFOABNPCFS-SFHVURJKSA-N 486.656 7.489 50 10 JKGE Cc1nc(Br)c([C@H](Br)c2cc(Cl)c(Br)s2)n1C 2300292243 IJVHKUVXKBUNKS-SSDOTTSWSA-N 463.420 5.453 50 10 JKGE O=C(N[C@H](CCBr)COCc1ccccc1)c1ccc(Cl)cc1Br 2303538062 IRQKSYLSNRYMJY-OAHLLOKOSA-N 475.608 5.203 50 10 JKGE CCOc1cc(C=C(C#N)C(=O)Nc2ccc(F)cc2)ccc1OCc1cccc(Cl)c1 2313630338 GMUBPVFTNJYEKW-UHFFFAOYSA-N 450.897 6.002 50 10 JKGE COc1cc(C=C(C#N)C(=O)Nc2cccc3ccccc23)cc(Br)c1OC(C)=O 2313670700 QGARCLPINQBNQS-UHFFFAOYSA-N 465.303 5.082 50 10 JKGE Cc1ccc(NC(=O)C(C#N)=Cc2cn(Cc3ccc(Cl)c(Cl)c3)c3ccccc23)cc1C 2313683496 SPGCIDLQZMTJSP-UHFFFAOYSA-N 474.391 7.159 50 10 JKGE CO[C@@H]1CCC[C@H]([C@@H](Br)c2cc(Br)ccc2OCc2ccccc2)C1 2314441504 ZHWACCGJBQBMDV-YRISNDGFSA-N 468.229 6.669 50 10 JKGE C[C@]1(C(F)(F)F)C[C@@H]1[C@@H](Br)c1cc(Br)ccc1OCc1ccccc1 2314460692 OAIZQRPLOFQSTR-NJAFHUGGSA-N 478.146 7.053 50 10 JKGE Cc1ccc(N2C(=O)[C@H](Cc3ccccc3F)SC2=C(C#N)C(=O)Nc2ccccc2)cc1C 2314591827 FRPFDBAOQKSUDR-DEOSSOPVSA-N 471.557 5.508 50 10 JKGE CC1=C(C#N)C(=O)N(Cc2ccc(C)cc2)C(=O)C1=Cc1ccc(OCc2ccc(Cl)cc2)cc1 2314617354 WSDUWSHHISTYBX-UHFFFAOYSA-N 482.967 6.020 50 10 JKGE COc1cc(C=C(C#N)c2ccc(Cl)cc2)ccc1OC(=O)COc1cc(Cl)ccc1Cl 2314717135 OMKJQSYTMWPIKZ-UHFFFAOYSA-N 488.754 6.704 50 10 JKGE CCOc1ccc(C=C(C#N)C(=O)Nc2nc(-c3ccc(Br)cc3)cs2)cc1 2314735705 ZAVLWUGWOJJTSY-UHFFFAOYSA-N 454.349 5.517 50 10 JKGE Fc1c(Br)cc(Cl)c([C@H](Br)[C@@H]2C[C@@H]3C[C@@H]3C2)c1Br 2315439252 BVPIZMYHQXVFAJ-WAYXCLAOSA-N 461.394 6.486 50 10 JKGE Cc1cc(Br)c(F)c(Br)c1[C@@H](Cl)c1ccoc1Br 2317397763 GBZRGCMRESOMGR-JTQLQIEISA-N 461.350 6.343 50 10 JKGE Cc1cc(Br)c(F)c(Br)c1[C@H](Cl)c1cc(Br)cs1 2317409966 FOTVAQWLXUIFKC-LLVKDONJSA-N 477.418 6.811 50 10 JKGE Cc1cc(Br)c(F)c(Br)c1[C@H](Br)[C@]1(Cl)CC1(C)C 2317410091 GRVZSSKDSKUGDJ-WCQYABFASA-N 463.410 6.503 50 10 JKGE Clc1ccc([C@@H](Cl)Cc2ccc(Br)cc2)c(I)c1 2317770752 KCKURTVLYSAORK-ZDUSSCGKSA-N 455.948 6.230 50 10 JKGE CC(=NNC(=O)c1ccc(-c2ccc(Cl)c(Cl)c2)nc1C)c1ccc2c(c1)N(C)C(=O)[C@H](C)O2 2321281119 KDFQNXWHNZYXFM-HNNXBMFYSA-N 497.382 5.262 50 10 JKGE Brc1cc(CC[C@H](Br)c2cccnc2)ccc1I 2325209617 PRICLTOHLXFBCN-LBPRGKRZSA-N 480.969 5.518 50 10 JKGE C[C@H](c1ccccc1)N1C[C@H](C(O)=C(C#N)c2nc(-c3ccc(-c4ccccc4)cc3)cs2)CC1=O 2331231897 RIMGGVONBWGJID-CJFMBICVSA-N 491.616 6.879 50 10 JKGE CC(C)(C)N1C(=O)c2ccc(C(O)=C(C#N)c3nc(-c4ccc5c(c4)CCCC5)cs3)cc2C1=O 2331240080 MMVCXJZOVSUOCR-UHFFFAOYSA-N 483.593 6.033 50 10 JKGE CCOC(=O)Oc1ccc(C(O)=C(C#N)c2nc(-c3ccc(Br)cc3)cs2)cc1 2331259748 XBDXEAXXVIVFOU-UHFFFAOYSA-N 471.332 6.058 50 10 JKGE CCOC(=O)Oc1ccc(C(O)=C(C#N)c2nc(-c3cc(OCC)ccc3OCC)cs2)cc1 2331375956 ANBQUVRPAHXOCV-UHFFFAOYSA-N 480.542 6.093 50 10 JKGE COc1ccc(C=CC(O)=C(C#N)c2nc(-c3cc(Cl)ccc3Cl)cs2)c(OC)c1 2331403781 FHEAZROEEAAJLG-UHFFFAOYSA-N 459.354 6.640 50 10 JKGE Clc1ccc(C[C@H](CBr)c2ccccc2Cl)cc1I 2337221541 QASUDQOQRRNONC-LLVKDONJSA-N 469.975 6.319 50 10 JKGE Cc1cc(Br)c(F)c(Br)c1[C@@H](Br)[C@@H]1[C@H]2[C@H]3C[C@@H]1C[C@H]32 2339686659 ZTPKSEPJLWJLNT-WRHQSUOUSA-N 452.987 5.997 50 10 JKGE ClCc1cccc(OCc2ccc(I)c(Br)c2)c1Cl 2349812287 XPSQFHKMUGIDLC-UHFFFAOYSA-N 471.947 6.025 50 10 JKGE Cc1cc(Br)c(F)c(Br)c1[C@@H](Br)C12CCCC1CCC2 2365194348 PYFFZNJIXBHATL-KRSWERPXSA-N 469.030 7.066 50 10 JKGE COc1c(C)cc(C)cc1[C@@H](Br)c1ccc(Cl)cc1I 2365596944 YMNQGFQOAQUHQH-HNNXBMFYSA-N 465.556 6.054 50 10 JKGE ClC[C@@H](Cc1cccc(Br)c1)Cc1ccc(Cl)cc1I 2366714508 JHYPDRRTVYKAAO-LBPRGKRZSA-N 484.002 6.347 50 10 JKGE COc1c(C)cc(Br)c(C)c1[C@H](Br)c1csc(C)c1Br 2369594797 UWAMBRWEVKFJHF-CQSZACIVSA-N 483.063 6.691 50 10 JKGE CC(C)(C)Oc1ccc([C@H](Br)c2ncsc2Br)cc1Br 2381298775 FHLHBYOUUSAXLI-NSHDSACASA-N 484.051 6.330 50 10 JKGE C=CCOc1ccc(Br)cc1/C=C(/C#N)C(=O)Nc1ncc(Cc2ccc(F)cc2)s1 1906141 JCYLQXNIWXJJTK-BOPFTXTBSA-N 498.377 5.746 50 10 JKGE COc1cc(/C=C(\C#N)c2ccc(C(=O)O)cc2)ccc1OCc1ccc(Cl)c(Cl)c1 2886959 DOTPTKCQVSFUOC-VXLYETTFSA-N 454.309 6.343 50 10 JKGE O=C(CSC1CN(C(c2ccccc2)c2ccccc2)C1)NN=Cc1ccc(OC(F)(F)F)cc1 12367373 LSAIVPKWFUXNPN-UHFFFAOYSA-N 499.558 5.242 50 10 JKGE O=C(CSc1nc2ccccc2[nH]1)N/N=C/c1c(OCc2ccccc2F)ccc2ccccc12 32520635 XWFXZOPOTBSCOV-WKULSOCRSA-N 484.556 5.677 50 10 JKGE COc1ccc2nc(Cl)c(/C=C(/C#N)c3nc(-c4ccc(-c5ccccc5)cc4)cs3)cc2c1 33391250 KRAYVCNSQBXISE-UCQKPKSFSA-N 479.992 7.751 50 10 JKGE COc1ccc(-c2nn(-c3ccccc3)cc2/C=C(\C#N)C(=O)Nc2cc(Cl)cc(Cl)c2)cc1 35518844 NQYHRGLKJLKTKY-WOJGMQOQSA-N 489.362 6.400 50 10 JKGE N#CC1=C(N)Oc2cc(OC(=O)c3ccc(F)cc3)ccc2[C@@H]1c1ccc(Cl)cc1Cl 38655179 TXGXYGRBEIUZSN-NRFANRHFSA-N 455.272 5.570 50 10 JKGE C=CCOc1cccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)COc4ccc(C(C)C)cc4)ccc32)c1 38684596 XHYRMJULWWRCCO-GDLZYMKVSA-N 496.563 5.577 50 10 JKGE CCCCOc1cccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4ccc(OCCC)cc4)ccc32)c1 38685155 PDNLLUVBJBTRKX-NDEPHWFRSA-N 498.579 6.092 50 10 JKGE Cc1ccccc1C(=O)Oc1ccc2c(c1)OC(N)=C(C#N)[C@@H]2c1cccc(OCc2ccccc2)c1 38686499 KHBIPALPBJSDET-GDLZYMKVSA-N 488.543 6.011 50 10 JKGE Cc1ccc2oc(C(=O)Oc3ccc4c(c3)OC(N)=C(C#N)[C@@H]4c3ccc(C(C)(C)C)cc3)c(C)c2c1 40530295 RHOLJVQLYKVLHW-HHHXNRCGSA-N 492.575 6.785 50 10 JKGE O=C(COc1ccc(Cl)cc1Cl)NNc1ncnc(Nc2cccc3ccccc23)c1[N+](=O)[O-] 40627257 OWOMRDGIDHZNOY-UHFFFAOYSA-N 499.314 5.111 50 10 JKGE Cc1ccc(C(C)C)c(OC(=O)c2oc3c(c2C)/C(=N/NC(=O)c2ccc(F)cc2)CCC3)c1 40811960 IYIVDWINZWCHRL-XHLNEMQHSA-N 462.521 5.849 50 10 JKGE Cc1cc(OC(=O)c2oc3c(c2C)/C(=N/NC(=O)c2ccc4ccccc4n2)CCC3)ccc1Cl 40825953 QCFOUOSHWHBSLC-MWAVMZGNSA-N 487.943 5.788 50 10 JKGE COc1ccc(/C=N/NC(=O)C(c2ccccc2)c2ccccc2)cc1COc1ccc(F)cc1 59120139 CEQLDOZQLASBFQ-ZCTHSVRISA-N 468.528 5.696 50 10 JKGE Cc1cccc(COc2ccc(Br)cc2/C=C(\C#N)C(=O)N[C@H](C)c2ccccc2)c1 59297266 PJSPDLMCQADQSM-IXOWOOARSA-N 475.386 6.121 50 10 JKGE N#C/C(=C\c1ccc(-c2ccc([N+](=O)[O-])cc2[N+](=O)[O-])o1)C(=O)Nc1cccc(Cl)c1Cl 59336402 LYIXIDIVJZTXKV-DHZHZOJOSA-N 473.228 5.615 50 10 JKGE O=C(N/N=C(/CSc1nc2ccccc2o1)c1ccc(-c2ccccc2)cc1)c1ccccc1O 59460777 VFRULXIXRZKKDK-KRUMMXJUSA-N 479.561 6.127 50 10 JKGE C[C@H]1COc2ccc([C@@H](Br)c3ccccc3I)cc2OC1 70511243 NQHHYFWWUHBDSM-APPDUMDISA-N 459.121 5.183 50 10 JKGE CC[C@H](C)N1C(=O)C(C#N)=C(C)/C(=C\c2cn(-c3ccccc3)nc2-c2cc(C)ccc2C)C1=O 101334164 LMFUUZCTWFAWKC-RASHHNMQSA-N 464.569 5.547 50 10 JKGE N#C/C(=C/Nc1ccc(Cl)cc1C(=O)c1ccccc1)c1nc(-c2ccc(Cl)cc2)cs1 102422205 WAAWEWINERNGRO-JXAWBTAJSA-N 476.388 7.324 50 10 JKGE CC[C@@H](c1ccccc1)[C@H](Br)c1cc(Br)sc1Br 104034732 IOUJEFPPFROINH-GWCFXTLKSA-N 453.037 6.903 50 10 JKGE FC(F)(F)c1ccc([C@H](Br)c2cc(Br)sc2Br)cc1 104034770 QOACTKCMVUICCR-JTQLQIEISA-N 478.953 6.776 50 10 JKGE CCCCCCCCCCCCCCCC(=O)N/N=C/c1cc(Br)ccc1OCCC 105057295 NZOOMPFOCIWSEZ-XAYXJRQQSA-N 495.546 8.169 50 10 JKGE Cc1cc(Br)c([C@H](Br)c2ccccc2C(C)(C)C)cc1Br 132915357 BGMLQFGTABLZIJ-QGZVFWFLSA-N 475.062 7.302 50 10 JKGE O=[P+](c1cc(C(F)(F)F)cc(C(F)(F)F)c1)c1cc(C(F)(F)F)cc(C(F)(F)F)c1 136912867 KQBXBLCCVYVZAV-UHFFFAOYSA-N 473.173 6.540 50 10 JKGE Fc1cccc(C[C@H](CBr)c2ccccc2Br)c1Br 157912971 SOBIKZMFAVVZPJ-LLVKDONJSA-N 450.971 6.072 50 10 JKGE Clc1ccc(Cl)c([C@@H](Br)c2csc3c(Br)cccc23)c1 163512499 DSHDWILHTFLCDR-CQSZACIVSA-N 451.010 7.455 50 10 JKGE CCCCOc1ccccc1[C@@H]1C(C#N)=C(N)Oc2cc(OC(=O)/C=C\c3ccccc3)ccc21 205655748 WAWHVTWFJLNZRI-NZKZYUIHSA-N 466.537 5.702 50 10 JKGE CCCN1C(=O)C(C#N)=C(C)/C(=C/c2cn(-c3ccccc3)nc2-c2cc(C)ccc2C)C1=O 214216795 JRZXBUGTDWPCGE-IWIPYMOSSA-N 450.542 5.158 50 10 JKGE CCCCCCCOc1ccc(/C=C2\C(=O)N([C@H](C)CC)C(=O)C(C#N)=C2C)cc1OCC 214266569 WRNPVMWIWMKSAL-OSEFQUDUSA-N 452.595 5.825 50 10 JKGE CC[C@H](NC(=O)/C(C#N)=C\Nc1ccc(C)cc1Br)c1ccc2c(c1)CCCC2 217192713 RGUYXARAQKKEOG-BARSGRSVSA-N 452.396 5.723 50 10 JKGE COc1ccc([C@H](Cl)c2ccc(I)c(Cl)c2)c(Br)c1 232342361 NYJSUSDZBWTXTQ-CQSZACIVSA-N 471.947 6.044 50 10 JKGE Cc1cc(C)c(C)c([C@H](Cl)c2cc(Br)ccc2I)c1C 235824072 MMXYSTMWFARVFA-QGZVFWFLSA-N 463.584 6.616 50 10 JKGE Cc1cc(OCc2ccc(C(=O)NN=c3c(=O)c4cccc5cccc3c54)cc2)ccc1Cl 254289241 GLSFBIXDCHSFCA-UHFFFAOYSA-N 454.913 5.015 50 10 JKGE O=C(NN=C(c1ccc(C(F)(F)F)cc1)c1cccc(C(F)(F)F)c1)c1cc2ccccc2[nH]1 254381784 NLWDVJFWVQCWKP-UHFFFAOYSA-N 475.392 6.388 50 10 JKGE CC(=NNC(=O)c1cc(-c2ccc(Cl)cc2Cl)nc2ccccc12)c1cc(Cl)ccc1O 254826100 VATDYHJDTSSMHC-UHFFFAOYSA-N 484.770 6.722 50 10 JKGE COc1c(-c2nnc(CCl)o2)nn(-c2cccc(Cl)c2)c1N=Nc1ccc(N(C)C)cc1 255967290 CNFKQZVVXKSUQZ-UHFFFAOYSA-N 472.336 5.805 50 10 JKGE Fc1ccc(Cl)cc1COc1c(Br)cc(Br)cc1CBr 312260996 HBUWFXSJIJZZLU-UHFFFAOYSA-N 487.388 6.478 50 10 JKGE Fc1cccc([C@H](Br)c2cc(Cl)c(Cl)c(Cl)c2Cl)c1Br 404642112 DJRABULUHUBMGT-VIFPVBQESA-N 481.801 7.686 50 10 JKGE CC(C)(C)N(CCCBr)C(=O)c1scc(Br)c1Br 690955483 RUBJCVOSHGQKCB-UHFFFAOYSA-N 462.045 5.299 50 10 JKGE Cl[C@H](c1ccc(Br)s1)c1scc(Br)c1Br 705410579 SIOPDFAESQTYMF-MRVPVSSYSA-N 451.430 6.425 50 10 JKGE COc1ccc(C[C@@H](Br)c2scc(Br)c2Br)cc1OC 705489696 DVFPJSJBSJJMAJ-SECBINFHSA-N 485.035 5.969 50 10 JKGE Brc1ccc([C@@H](Br)c2scc(Br)c2Br)cc1 707818231 WALMBJDWKRJYDV-SECBINFHSA-N 489.852 6.520 50 10 JKGE Brc1ccc(Br)c([C@@H](Br)c2ccc(C3CC3)s2)c1 707925721 QXGRHOUBWQRZID-CQSZACIVSA-N 451.021 6.635 50 10 JKGE Brc1csc([C@H](Br)c2ccc(C3CC3)s2)c1Br 708015117 GDTBFRGHFVRGAB-LLVKDONJSA-N 457.050 6.696 50 10 JKGE CN(Cc1ccccc1)CC1CCN(c2cc(Br)ccc2CBr)CC1 717578866 HMYXCFBQBNVJFS-UHFFFAOYSA-N 466.261 5.692 50 10 JKGE COc1cc(CBr)cc(Br)c1OCc1sncc1Br 719814881 GKPIYZOBYKFYFC-UHFFFAOYSA-N 471.996 5.151 50 10 JKGE O=C(NCCOc1ccccc1)[C@@H](c1cccs1)N(C(=O)CCl)c1cccc(C(F)(F)F)c1 725237328 DGAUZYIVRFFFIM-OAQYLSRUSA-N 496.938 5.275 50 10 JKGE Cc1ccc(CNC(=O)[C@H](c2cccs2)N(C(=O)CCl)c2cccc(C(F)(F)F)c2)cc1 725238562 VOGKNXVWPHSLMP-NRFANRHFSA-N 480.939 5.705 50 10 JKGE CCOc1cc(C=NNC(=O)CSc2nc3ccccc3o2)ccc1OCc1ccccc1 1083980107 BNJHLQPBAGTHFP-UHFFFAOYSA-N 461.543 5.048 50 10 JKGE COc1ccc(C=NNC(=O)CCCNc2ccc(Cl)cc2)cc1CN1CCCc2ccccc21 1084131824 AVGTVRHVULCSBA-UHFFFAOYSA-N 491.035 5.644 50 10 JKGE Cc1ccc(C)c(NC(=O)/C(C#N)=C\c2cc(Cl)ccc2OCc2ccc(Cl)cc2)c1 1084216131 BEPAWPFRJVIQIB-NDENLUEZSA-N 451.353 6.735 50 10 JKGE O=C(NN=Cc1cc(Cl)c(OCc2cccc3ccccc23)c(Cl)c1)c1cc2ccccc2o1 1084228182 XITFBIXMHCWWPT-UHFFFAOYSA-N 489.358 7.236 50 10 JKGE CCOc1c(Cl)cc(C=NNC(=O)c2cc3cc(Br)ccc3o2)cc1OC 1084272687 LCNPEHAAOIRJHE-UHFFFAOYSA-N 451.704 5.020 50 10 JKGE CCOc1cc(C=NNC(=O)[C@@H](C)Sc2nc(C)cc(C)n2)ccc1OCc1cccc(Cl)c1 1084507648 IMKPWWFDQUFENK-GOSISDBHSA-N 499.036 5.355 50 10 JKGE C=CCc1cc(C=NNC(=O)CC[C@@H](O)c2ccccc2)cc(OCC)c1OCc1cccc(C)c1 1084558639 CEXZIHAMMDXWDZ-HHHXNRCGSA-N 486.612 5.665 50 10 JKGE Cc1c(C(=O)Oc2cccc3ccccc23)oc2c1C(=NNC(=O)c1cccc3ccccc13)CCC2 1772748034 NEKJNBIQYRUOOK-UHFFFAOYSA-N 488.543 6.584 50 10 JKGE O=C(CCCOc1ccc(Cl)cc1Cl)NNC(=O)c1ccc(-c2ccc3ccccc3c2)s1 1860391329 ALVUJPQHJAFXKI-UHFFFAOYSA-N 499.419 6.495 50 10 JKGE CC(C)(C)c1ccc([C@H]2C(C#N)=C(N)Oc3c2c(C(F)(F)F)nn3Cc2ccccc2)cc1 1865682098 FYVSCRYKLASVFC-IBGZPJMESA-N 452.480 5.466 50 10 JKGE CCc1nn(Cc2ccc(Cl)cc2)c2c1[C@@H](c1ccc(Cl)cc1Cl)C(C#N)=C(N)O2 1865685973 OZHHELFTXZEUTQ-IBGZPJMESA-N 459.764 5.672 50 10 JKGE CCCCOc1ccc([C@H]2C(C#N)=C(N)Oc3c2c(C)nn3Cc2ccc(F)cc2)cc1OCC 1865687691 XYSGAZTYWPKQKG-VWLOTQADSA-N 476.552 5.175 50 10 JKGE Cc1ccc(COc2ccc([C@@H]3C(C#N)=C(N)Oc4c3c(C)nn4Cc3cccc(F)c3)cc2)cc1 1865693980 SPBGKWBHUMTQEP-HHHXNRCGSA-N 480.543 5.485 50 10 JKGE N#CC1=C(N)Oc2c(c(C(F)(F)F)nn2Cc2c(F)cccc2Cl)[C@H]1c1cccc(F)c1 1865711154 QVALRLFIDKDOLW-INIZCTEOSA-N 466.797 5.100 50 10 JKGE Cc1nc(-c2ccc(Cl)c(Cl)c2)ccc1C(=O)NNC(=O)c1ccc(CSC(C)C)o1 1865759154 LDOHUUDCWYSULM-UHFFFAOYSA-N 478.401 5.673 50 10 JKGE CCc1ccc(CCC(=O)NNC(=O)c2ccc(-c3ccc(Cl)cc3Cl)nc2C)cc1 1865759800 SOLHRVWOVPLSRV-UHFFFAOYSA-N 456.373 5.320 50 10 JKGE CSc1ccccc1C(=O)N/N=C\c1cn(CCOc2ccc(Cl)cc2)c2ccccc12 1865761831 XCKYSVKRRSFWGA-YUMHPJSZSA-N 463.990 5.860 50 10 JKGE CC[C@@](C)(NC(=O)C[C@@H](c1ccc(F)cc1)c1cccc(F)c1)C(=O)Nc1ccc(SC#N)cc1 1866784087 YMYYPVUGOMHLKA-RPLLCQBOSA-N 493.579 5.984 50 10 JKGE CSCC[C@@H](NC(=O)CCC(C)(C)c1ccc(C)cc1)C(=O)Nc1ccc(SC#N)cc1 1866794330 GXDDBFSUVJQKTC-JOCHJYFZSA-N 469.676 5.503 50 10 JKGE CCC[C@H](NC(=O)Cc1ccc2nc(O)c(C(C)C)cc2c1)C(=O)Nc1ccc(SC#N)cc1 1867068255 XIPKJMFJLOKEOX-QHCPKHFHSA-N 476.602 5.103 50 10 JKGE CC(C)c1nc(Nc2ccc(SC#N)cc2)cc(N2CCO[C@H](c3cccc(Cl)c3)C2)n1 1868231344 DIAJPOAXCYIEKN-NRFANRHFSA-N 466.010 6.148 50 10 JKGE CC(C)c1ccc(-c2csc(/C(C#N)=C(\O)CCCOc3ccc(C(C)(C)C)cc3)n2)cc1 1872752146 OWQKROOIRFARHV-LCUIJRPUSA-N 460.643 7.883 50 10 JKGE CCCc1ccc(OC/C(O)=C(\C#N)c2nc(-c3cc(Cl)c(OC)cc3OC)cs2)cc1 1872756759 ZLKGZUJCDGCIBX-UZYVYHOESA-N 470.978 6.305 50 10 JKGE COc1ccc(-c2csc(/C(C#N)=C(\O)CCCOc3ccc(C(C)(C)C)cc3)n2)cc1Cl 1872757654 PSCSAEBTSUKDCW-ATJXCDBQSA-N 483.033 7.421 50 10 JKGE Cc1cc([C@H](Br)c2cc(I)sn2)sc1Br 1909889593 SEYQTGNCYHNQJU-MRVPVSSYSA-N 479.000 5.364 50 10 JKGE CC1(C)C[C@@H](N(Cc2ccccc2)c2ccc(Br)cc2CBr)CO1 1915488913 YUSGWEFDKBZYDQ-GOSISDBHSA-N 453.218 5.918 50 10 JKGE COc1ccc(Br)cc1C(=O)N(Cc1ccccc1)C(C)(C)CBr 1915757149 VDKDWGCFCWRGQG-UHFFFAOYSA-N 455.190 5.274 50 10 JKGE Cc1c(Br)sc([C@H](Br)C2C[C@H]3[C@H](C2)C3(C)C)c1Br 1922932017 HYJIAYZGJZBUON-ATZCPNFKSA-N 457.069 6.700 50 10 JKGE Fc1ccc(Br)c([C@H](Br)c2sc(Cl)cc2Br)c1 1948827653 CGDHISLZKVKBIQ-JTQLQIEISA-N 463.391 6.550 50 10 JKGE CC1(C)CC[C@H]1[C@H](Br)c1c(Br)sc(Br)c1Br 1987987001 DUMMYDQZBWIAJE-FSPLSTOPSA-N 495.900 6.908 50 10 JKGE Brc1scc([C@H](Br)c2ccc3c(c2)CCC3)c1Br 2032958626 IEDJYMUDNUUQSM-GFCCVEGCSA-N 451.021 6.246 50 10 JKGE C[C@H]1CN(c2cc(Br)cc(F)c2CBr)[C@H](C)CN1Cc1ccccc1 2051130884 BFCNBOWCQOHVRX-LSDHHAIUSA-N 470.224 5.582 50 10 JKGE Cc1cc([C@@H](Br)Cc2ccccc2I)c(C)cc1Br 2087569854 LHLBMZPJFJOMQT-HNNXBMFYSA-N 494.008 6.349 50 10 JKGE CC1(C)CCO[C@@H]1COc1c(Br)cc(CBr)cc1Br 2097983192 RFKGEQFGRPMFLB-GFCCVEGCSA-N 457.000 5.300 50 10 JKGE COCc1cc(Br)c([C@H](Br)c2c(Br)sc(C)c2C)s1 2101012819 VXUXUSCYXLBQJW-LLVKDONJSA-N 489.092 6.582 50 10 JKGE Brc1cc([C@@H](Br)Cc2ccc3c(c2)CCO3)c(Br)s1 2112342667 QNBRUDOMDSOPMQ-NSHDSACASA-N 467.020 5.887 50 10 JKGE C[C@@H]1CN(Cc2ccccc2)C[C@H]1n1c(CCl)nc2cc(Cl)c(Br)cc21 2112692379 FIBXYJZBZPSOMN-BFUOFWGJSA-N 453.211 5.884 50 10 JKGE Fc1cccc(CC[C@H](Br)c2ccccc2Br)c1Br 2113445490 WONSXIXATHUHHD-ZDUSSCGKSA-N 450.971 6.420 50 10 JKGE Brc1ccc(CN2CC[C@@H](Br)CC23CCC3)c(Br)c1 2113563606 GSFZIQCJHGSBIT-CYBMUJFWSA-N 452.028 5.494 50 10 JKGE C[C@@H](Cl)CCc1cn(-c2cc(Br)c(Br)c(Br)c2)nn1 2132764141 PFLJHPCBNHFUKB-SSDOTTSWSA-N 472.406 5.115 50 10 JKGE Cc1c(Br)ccc([C@H](Br)C[C@@H]2CCC23CCC3)c1Br 2138869669 BXHKFMGTPYTLCO-SMDDNHRTSA-N 451.040 6.926 50 10 JKGE Cc1sc(Br)c([C@H](Br)c2cc(Cl)c(Cl)c(Cl)c2Cl)c1C 2157253950 AKPMJNFXOWYSBV-SECBINFHSA-N 497.894 8.225 50 10 JKGE COc1cc(Br)c(C(=O)N(Cc2ccccc2)[C@@H](CCl)C(C)C)cc1OC 2189042687 HTXRPZANVRJYSW-SFHVURJKSA-N 454.792 5.372 50 10 JKGE COc1c(Br)cc(C)cc1[C@@H](Cl)c1cccc(Br)c1Br 2203826096 SWZYSMMOMPBOPX-AWEZNQCLSA-N 483.425 6.619 50 10 JKGE Cc1sc(Br)c([C@H](Br)c2sc(Br)c(C)c2C)c1C 2218783665 YEUGQQQUTHYUFM-JTQLQIEISA-N 473.093 7.053 50 10 JKGE C[C@H](Cl)c1nc2cc(Br)c(Br)cc2n1CC1CN(Cc2ccccc2)C1 2225694654 XHCMJQNWJCHPHP-ZDUSSCGKSA-N 497.662 5.993 50 10 JKGE Cc1cc(Br)c([C@@H](Br)[C@@H]2COC(C)(C)C2)c(C)c1Br 2227350692 YBMHIIFVXMFTOI-HZMBPMFUSA-N 455.028 6.080 50 10 JKGE Cc1cc(Br)c([C@@H](Br)c2c(Br)cc(C)c(Cl)c2C)s1 2229317331 HNEFDVOPPGTSBE-LBPRGKRZSA-N 487.482 7.336 50 10 JKGE Fc1cc(Br)c(Br)cc1[C@@H](Br)[C@@H]1CCn2nccc2C1 2233982540 WTJLICVAEUZJFI-CLAHSXSESA-N 466.974 5.246 50 10 JKGE Cc1cc(Br)c([C@H](Br)[C@@H](C)c2ccccc2)c(C)c1Br 2235602315 YYGLCWUJNIDMFB-APPDUMDISA-N 461.035 7.068 50 10 JKGE BrC[C@@]12CCCC[C@@H]1CN(Cc1cc(Br)ccc1Br)C2 2239186999 ADZIHOUZJAKKQJ-CZUORRHYSA-N 466.055 5.599 50 10 JKGE CCc1cc([C@@H](Br)c2c(Br)cnn2CC)sc1Br 2255973643 QKRYFRWSFLWGJH-SNVBAGLBSA-N 457.029 5.536 50 10 JKGE Cc1cc(Br)c(C)c([C@@H](Cl)c2cc(Br)co2)c1Br 2258145891 GEVKKMZVVZVLDL-ZDUSSCGKSA-N 457.387 6.512 50 10 JKGE Cc1cc(F)c(Br)cc1[C@H](Cl)c1c(Cl)sc(Br)c1Cl 2270428484 BHTFVAHPJLJDOK-VIFPVBQESA-N 467.412 7.356 50 10 JKGE Cc1sc([C@@H](Cl)c2c(F)cc(Br)c(F)c2Br)cc1Br 2272721167 FCDVFOKVJNATIA-LLVKDONJSA-N 495.408 6.950 50 10 JKGE C[C@H]([C@@H]1CCCO1)[C@H](Br)c1c(F)cc(Br)c(F)c1Br 2272728598 LBSDQAMENLVCMA-PUMQYWBSSA-N 462.954 5.741 50 10 JKGE Fc1cc(Br)c(F)c(Br)c1[C@H](Br)C12COCC(C1)C2 2273079732 XCWMNVGUVCEYBW-BZCBFNEHSA-N 460.938 5.352 50 10 JKGE Cc1cc(Br)c([C@@H](Br)c2cccc(Cl)c2Br)c(C)c1F 2283201505 DYCFZZZSHCQGPP-AWEZNQCLSA-N 485.416 7.105 50 10 JKGE CC(C)Oc1ccc([C@H](Br)c2ccc(Cl)c(I)c2)cc1 2283574055 MSTROAHIYDDTAA-INIZCTEOSA-N 465.556 6.216 50 10 JKGE COCCCCCCO[C@@](C)(CI)c1ccccc1Br 2286997776 TZUVLQHDPPQROE-INIZCTEOSA-N 455.174 5.323 50 10 JKGE Cc1cc([C@@H](Br)Cc2cc(Br)cc(Br)c2)c(C)cc1Cl 2295275854 ZEGWGTWOCXRNDM-HNNXBMFYSA-N 481.453 7.161 50 10 JKGE COc1cccc(C=C(C#N)C(=O)N[C@@H](C)c2ccccc2)c1OCc1c(F)cccc1Cl 2295672384 SNQOODNORRWWLJ-KRWDZBQOSA-N 464.924 5.851 50 10 JKGE CCOc1ccc(NC(=O)C(C#N)=Cc2ccc(OC)c(OCc3cccc(C(F)(F)F)c3)c2)cc1 2295672389 SWVHRCNRZBXLBC-UHFFFAOYSA-N 496.485 6.237 50 10 JKGE Cc1ccccc1C[C@H]1SC(=C(C#N)C(=O)Nc2ccc(F)cc2)N(c2ccc(F)cc2)C1=O 2296144755 GUIRNMQZTWFQSW-HSZRJFAPSA-N 475.520 5.338 50 10 JKGE N#CC(C(=O)Nc1ccc(F)cc1)=C1S[C@H](Cc2ccc(Cl)cc2)C(=O)N1c1ccc(F)cc1 2296627813 BHCBUUPKWNRUKL-JOCHJYFZSA-N 495.938 5.683 50 10 JKGE C=CCOc1ccc(-c2nn(-c3ccccc3)cc2C=C(C#N)C(=O)NCc2ccccc2)c(C)c1 2296707747 FHRSZPWCFXMHBT-UHFFFAOYSA-N 474.564 5.636 50 10 JKGE CCOC(=O)c1c(NC=C(C#N)c2nc(-c3ccc(Br)cc3)cs2)sc(C)c1C 2296790022 JWXVEYMSGRGNKG-UHFFFAOYSA-N 488.432 6.404 50 10 JKGE Cc1csc([C@H](Br)c2cc(Br)ccc2OCc2ccccc2)c1Cl 2299502191 VCHFQQZKAQYIHQ-QGZVFWFLSA-N 486.656 7.536 50 10 JKGE Brc1ccc(OCc2ccccc2)c([C@H](Br)C23CCC(CC2)C3)c1 2299529667 FBYJRDXWKMVPEB-YFYMUDDPSA-N 450.214 7.044 50 10 JKGE N#CC(=Cc1ccc(-c2ccc(Cl)c([N+](=O)[O-])c2)o1)C(=O)Nc1cccc(Cl)c1Cl 2313571336 SWOCWWCABDSJIS-UHFFFAOYSA-N 462.676 6.361 50 10 JKGE CCCC[C@@H](C)CC[C@@H](Br)c1cc(Br)ccc1OCc1ccccc1 2314447484 YWQOFDSWTHUFFG-DYESRHJHSA-N 468.273 8.071 50 10 JKGE Brc1ccc(OCc2ccccc2)c([C@@H](Br)[C@@]23CCC[C@@H](C2)OC3)c1 2314453927 AKNQSEDJOBAASH-WMQCIHAUSA-N 466.213 6.423 50 10 JKGE Brc1ccc(OCc2ccccc2)c([C@@H](Br)[C@H]2OC[C@@H]3CCC[C@H]23)c1 2314493625 DSKRBROVGQZFNT-WLKXKRCBSA-N 466.213 6.279 50 10 JKGE CNC(=O)C(C#N)=C1S[C@@H](Cc2ccc(Cl)c(Cl)c2)C(=O)N1c1ccc(C(C)C)cc1 2314593963 WOOQVHGBRXBZEM-FQEVSTJZSA-N 474.413 5.289 50 10 JKGE CCOc1ccc(C=C(C#N)C(=O)Nc2nc(-c3cccc(Br)c3)cs2)cc1OC 2314753795 FTSWCZHEUSGQCT-UHFFFAOYSA-N 484.375 5.526 50 10 JKGE Cc1cc(C)c([C@H](Br)c2cnsc2Br)c(C)c1Br 2315624573 BWLZESMWAZSMNT-GFCCVEGCSA-N 454.025 6.078 50 10 JKGE ClCc1c(Cl)cccc1Oc1cc(Br)cc(I)c1 2316757895 FGBSMYDURSKKPX-UHFFFAOYSA-N 457.920 6.238 50 10 JKGE FC1(F)CCCCC[C@H]1[C@H](Br)c1sc(Cl)cc1I 2316776971 INJNPSLBWJFJAK-XVKPBYJWSA-N 469.560 6.658 50 10 JKGE Cc1scc([C@@H](Br)[C@@H](C)c2ccncc2Br)c1Br 2320423433 KJWSZWMDWCHRHE-MADCSZMMSA-N 454.025 6.216 50 10 JKGE N#CC(=CN1CCN(C(c2ccccc2)c2ccccc2)CC1)C(=O)Nc1ccc(Cl)cc1 2325424042 CYVCPMBROZLRCF-UHFFFAOYSA-N 456.977 5.093 50 10 JKGE COc1cccc(C=C(C#N)c2nc3ccccc3s2)c1OCc1ccc(Br)cc1 2331025631 ZKEBWFUKGRLSDF-UHFFFAOYSA-N 477.383 6.711 50 10 JKGE N#CC(=C(O)c1c(Cl)ccc(Cl)c1Cl)c1nc(-c2ccc([N+](=O)[O-])cc2)cs1 2331281580 QDXZHINVXLOTPZ-UHFFFAOYSA-N 452.706 6.628 50 10 JKGE CCc1ccc(OCCCC(O)=C(C#N)c2nc(-c3cccs3)cs2)c(Br)c1 2331326940 TWEYVWRSTIGUIC-UHFFFAOYSA-N 475.433 6.848 50 10 JKGE CCCCCCCOc1ccc(-c2csc(C(C#N)=Cc3cc(Br)ccc3O)n2)cc1 2331460421 AHHIHMLUBNAHEM-UHFFFAOYSA-N 497.458 7.692 50 10 JKGE COc1c(C)cc(C)cc1-c1csc(C(C#N)=Cc2cccc(OCc3ccccc3)c2)n1 2331470035 ZNYRWWQDNJTLFW-UHFFFAOYSA-N 452.579 7.079 50 10 JKGE COc1cc(C)c(-c2csc(C(C#N)=Cc3ccc(OCc4ccccc4C)cc3)n2)cc1C 2331485531 DNDRLICZOFDYHL-UHFFFAOYSA-N 466.606 7.387 50 10 JKGE Cc1cc(Br)c(F)c(Br)c1[C@H](Br)[C@H]1C[C@]1(C)C(F)F 2339657296 WWBVCMNNNLGXJE-BOCOKBRWSA-N 464.945 6.386 50 10 JKGE COc1c(Br)cc(C)c([C@H](Br)[C@@]2(C)CCOC2)c1Br 2339690023 GSUIUMUIRFWDOO-KBPBESRZSA-N 457.000 5.391 50 10 JKGE C[C@@H]1[C@H](Br)C[C@H]2CC[C@H]1N2Cc1ccc(Cl)cc1I 2341039843 BLRYLFXPQYTXNQ-QGMIFYJMSA-N 454.577 5.081 50 10 JKGE Brc1cc2c(cc1[C@H](Br)c1sccc1Br)CCCO2 2343580630 NCGIOZOEJRZIRV-ZDUSSCGKSA-N 467.020 6.082 50 10 JKGE ClCC[C@@H]1CCCC[C@H]1NCc1ccc(I)c(Br)c1 2349849920 DBUAVDCLYNZHOB-SWLSCSKDSA-N 456.593 5.331 50 10 JKGE Cc1nn(C)c(Br)c1[C@@H](Cl)c1c(F)cc(Cl)c(Br)c1Cl 2360426339 KNLWPZMDVNJZAO-SNVBAGLBSA-N 465.375 6.028 50 10 JKGE Cc1cc(Br)c(F)c(Br)c1[C@H](Br)CC12CCC(CC1)C2 2365189244 SMSCFGKBUHMHLL-YZKWQOGNSA-N 469.030 7.066 50 10 JKGE COc1c(Br)cc(C)c([C@H](Br)[C@H]2CCOC[C@H]2C)c1Br 2365234330 XVBCHIITGZNREG-GBIKHYSHSA-N 471.027 5.637 50 10 JKGE FC(F)(F)[C@H]1[C@@H](Br)CCCN1Cc1ccc(I)c(Cl)c1 2370297203 MMMRXMUBOWDGEW-JOYOIKCWSA-N 482.509 5.235 50 10 JKGE CC(C)(C)OC(=O)N1CCC[C@]12CC[S@](=O)(=NC[C@](C)(CBr)C(C)(C)C)C2 2380173232 DHYLKKXTWLCWRH-ASHZAFPQSA-N 465.498 5.075 50 10 JKGE Cc1cc(Br)c(C(C)C)cc1[C@@H](Br)c1cn(C)nc1Br 2380922748 SOHDWXDSRMDHMC-CQSZACIVSA-N 465.027 5.861 50 10 JKGE O=C(NC1CCCCC1)[C@@H](c1ccc(F)cc1)N(Cc1ccccc1Cl)C(=O)CCl 3037450 IPWOAXQHNQRCDO-JOCHJYFZSA-N 451.369 5.237 50 10 JKGE CC[C@H](Oc1ccccc1[C@@H](C)CC)C(=O)NNC(=O)COc1ccc(-c2ccccc2)cc1 10683693 JVBYGKUFWCZYIG-CPJSRVTESA-N 460.574 5.251 50 10 JKGE CC[C@H](C)c1ccc(OCC(=O)NNC(=O)c2ccc(OCCC(C)C)c(Br)c2)cc1 14645702 YUDXETMHQMHDNY-KRWDZBQOSA-N 491.426 5.228 50 10 JKGE COc1ccccc1/C(C#N)=C\c1cccc(OC(=O)[C@H](C)Oc2ccc(Cl)cc2Cl)c1 31902738 WWNYRKITKCASKY-JIHKLPAASA-N 468.336 6.439 50 10 JKGE CC[C@@H](C)c1ccc(OCCn2c(C)c(/C=C(/C#N)c3ccc([N+](=O)[O-])cc3)c3ccccc32)cc1 33664894 OBVFCKHQJNOWAT-QAKHZNQRSA-N 479.580 7.515 50 10 JKGE COc1cc(/C=C(/C#N)C(=O)Nc2c(C)cccc2Cl)ccc1OC(=O)c1cccc2ccccc12 33684679 HHXWDUGEGUIRQY-QNGOZBTKSA-N 496.950 6.575 50 10 JKGE COc1ccc(-c2nn(-c3ccccc3)cc2/C=C(/C#N)C(=O)Nc2ccc3ccccc3c2)cc1 35518850 OHZPQCOVVOTBGR-ULJHMMPZSA-N 470.532 6.247 50 10 JKGE CCc1ccc(OCC(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@H]3c2ccc(C(C)C)cc2)cc1 38649628 DZZOXYLZCXTZIW-NDEPHWFRSA-N 468.553 5.575 50 10 JKGE COc1cccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)[C@@H](C)Oc4ccc(C(C)C)cc4)ccc32)c1 38650238 KIQRFRSTUHHRTM-CLYVBNDRSA-N 484.552 5.410 50 10 JKGE CCCCOc1cccc(C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@H]3c2cccc(Cl)c2)c1 38651238 RSYXTZJLAVIGBA-VWLOTQADSA-N 474.944 5.956 50 10 JKGE CCCCOc1ccccc1C(=O)Oc1ccc2c(c1)OC(N)=C(C#N)[C@H]2c1ccc(Cl)cc1 38651424 PHQRIDBPXCWNQS-VWLOTQADSA-N 474.944 5.956 50 10 JKGE C=CCOc1ccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)COc4c(C)cccc4C)ccc32)cc1 38658132 RONCTNBCXOQSSN-HHHXNRCGSA-N 482.536 5.071 50 10 JKGE COc1cccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4ccc(C(C)(C)C)cc4)ccc32)c1OC 38658706 KSDYFAQLSOKGOW-RUZDIDTESA-N 484.552 5.439 50 10 JKGE N#CC1=C(N)Oc2cc(OC(=O)c3ccco3)ccc2[C@@H]1c1cccc(OCc2ccccc2Cl)c1 38686694 URHRFCOMYRIWHO-SANMLTNESA-N 498.922 5.949 50 10 JKGE Cc1ccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4oc5cc(C)cc(C)c5c4C)ccc32)cc1 38687015 XKLNMENSBSFSDN-SANMLTNESA-N 464.521 6.104 50 10 JKGE CCc1ccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4oc5cc(C)ccc5c4C)ccc32)cc1 38700441 QHXZGTNMXRKLQK-AREMUKBSSA-N 464.521 6.049 50 10 JKGE C=CCOc1ccc(-c2nn(-c3ccccc3)cc2/C=C(\C#N)C(=O)Nc2ccc(C)c(C)c2)cc1C 39983468 UDUUKJTZSOOLLE-XIEYBQDHSA-N 488.591 6.575 50 10 JKGE Cc1cc(OC(=O)c2oc3c(c2C)/C(=N/NC(=O)c2ccc([N+](=O)[O-])cc2)CCC3)cc(C)c1Cl 40812267 BGCJKJDQGWYFHV-ZXVVBBHZSA-N 495.919 5.456 50 10 JKGE COc1ccc(C(=O)N/N=C2\CCCc3oc(C(=O)Nc4cccc(Cl)c4C)c(C)c32)cc1 40813820 SINGAFAHEMFSAT-VFCFBJKWSA-N 465.937 5.281 50 10 JKGE CCCCCCOc1ccc(/C=N/NC(=O)[C@@H](C)Oc2ccc(C(C)(C)C)cc2)cc1OC 40961438 GHKVDAYXQRICPS-WDMWBOBFSA-N 454.611 5.869 50 10 JKGE CCCOc1ccc(Br)cc1/C=N/NC(=O)c1ccc(OCc2ccc(C)cc2)cc1 48573035 GAOPYAGGODKATG-JVWAILMASA-N 481.390 5.889 50 10 JKGE Cc1ccc(NC(=O)/C(C#N)=C\c2cc(Br)ccc2OCc2cccc(C)c2)cc1 59335792 HUWFJXXHKLQATM-BKUYFWCQSA-N 461.359 6.191 50 10 JKGE COc1cccc(/C=C(\C#N)C(=O)N[C@H](C)c2ccccc2)c1OCc1c(F)cccc1Cl 96438659 SNQOODNORRWWLJ-HDAKKWKLSA-N 464.924 5.851 50 10 JKGE CCc1ccc(N2C(=O)[C@@H](Cc3ccccc3C)S/C2=C(/C#N)C(=O)Nc2cccc(C)c2)cc1 101245364 QQOQLSLQIRENBG-SJCFVWOQSA-N 481.621 5.931 50 10 JKGE CCOC(=O)c1c(-c2ccc(OC)cc2)csc1NC(=O)/C(C#N)=C\c1ccc(C(C)C)cc1 102664436 JDQRTVPOILHDHE-STZFKDTASA-N 474.582 6.269 50 10 JKGE ClCc1nc2cc(I)ccc2n1-c1ccc(Cl)cc1Br 125831564 DFWIZAHLNLXICA-UHFFFAOYSA-N 481.946 5.785 50 10 JKGE FC(F)(F)C(O[C@@H](CI)c1cccc(Br)c1)C(F)(F)F 226032774 DLZFPWBDAFLUQW-QMMMGPOBSA-N 476.980 5.435 50 10 JKGE Fc1ccc(C[C@H](Br)c2ccc(I)c(Cl)c2)cc1F 232386423 PAGIZJKGYIVJJP-JTQLQIEISA-N 457.483 5.902 50 10 JKGE COc1cc(C)c(Br)cc1[C@H](Cl)c1ccc(F)cc1I 234807638 KTTXDRFBXXYVJR-OAHLLOKOSA-N 469.519 5.838 50 10 JKGE COc1ccc(F)cc1[C@H](Br)c1cc(Cl)ccc1I 234851832 ABVIVSXWLBVOFG-CQSZACIVSA-N 455.492 5.577 50 10 JKGE O=C(CCC(=O)Nc1cccc(C(F)(F)F)c1)NN=Cc1cccc(Oc2ccccc2)c1 252628156 SJMBOKFDXGVUGO-UHFFFAOYSA-N 455.436 5.367 50 10 JKGE CC(C)c1ccc(OCC(=O)NN=C2C(=O)N(Cc3cccc4ccccc34)c3ccccc32)cc1 254442831 OFRASVDHWRZMAB-UHFFFAOYSA-N 477.564 5.409 50 10 JKGE CCOc1cccc(-c2cc(C(=O)NN=Cc3cc(OC)c(OC)cc3OC)c3ccccc3n2)c1 254798430 MTMIKZSKQSEZCK-UHFFFAOYSA-N 485.540 5.090 50 10 JKGE Cc1ccc(-n2c(SCC(=O)NN=Cc3ccccc3C(F)(F)F)nnc2-c2ccccc2)cc1 254812848 CIAHYLOIVJWHEG-UHFFFAOYSA-N 495.530 5.504 50 10 JKGE C[C@H](Br)C[C@H]1CCCN1C(=O)c1cc(Br)sc1Br 310696682 UOHNCXRMORLBBK-JGVFFNPUSA-N 460.029 5.051 50 10 JKGE CCc1cc(C)sc1[C@@H](Cl)c1cc(I)ccc1Br 310778217 BAJHONPKCOCCNB-ZDUSSCGKSA-N 455.586 6.314 50 10 JKGE ClCc1nc2cccc(Cl)c2n1-c1ccc(I)cc1Br 380016971 FVOKNCXZWZJOBG-UHFFFAOYSA-N 481.946 5.785 50 10 JKGE C[C@@H](Cl)c1nc2cc(I)ccc2n1Cc1csc(Br)c1 397330810 PXKUMFJYNGMPJP-MRVPVSSYSA-N 481.584 5.813 50 10 JKGE Cc1cc(Br)c([C@H](Cl)c2nscc2Br)cc1Br 404760745 IMQDAIVOCRQOBR-JTQLQIEISA-N 460.416 6.067 50 10 JKGE CC(C)(C)[Si](C)(C)OCCc1ccc([C@@H]2CCOCCN2S(=O)(=O)c2ccccc2)cc1 616597010 DLQGIAQVSQXNKY-DEOSSOPVSA-N 475.727 5.403 50 10 JKGE CC(C)(C)[Si](C)(C)OCCc1ccc([C@@H]2CCCN2CCO[Si](C)(C)C(C)(C)C)cc1 616608302 RJLZOYBEUXQCEH-DEOSSOPVSA-N 463.855 7.410 50 10 JKGE Clc1sccc1COc1c(Br)cc(CBr)cc1Br 687953112 IRZNKAGEHOURFR-UHFFFAOYSA-N 475.427 6.400 50 10 JKGE CCOC(C)(C)CC(CBr)(CBr)c1cccc(Br)c1 702660892 PWSYIPXRVMRKPS-UHFFFAOYSA-N 457.044 5.682 50 10 JKGE COc1ccc(C=NNC(=O)c2ccc(-n3c(C)ccc3-c3ccccc3)cc2)cc1[N+](=O)[O-] 1083992055 XIIJTVACQKENSH-UHFFFAOYSA-N 454.486 5.133 50 10 JKGE COc1cc(C=NNC(=O)Nc2ccccc2)cc(Br)c1OCc1ccccc1 1084472766 GAKNWRNSJFIXAZ-UHFFFAOYSA-N 454.324 5.192 50 10 JKGE Cc1cccc(NC(=O)/C(C#N)=C\c2ccc(OCc3ccc(Br)cc3)cc2)c1C 1084616845 LGORIXPSHYUPPY-STZFKDTASA-N 461.359 6.191 50 10 JKGE N#CC1=C(N)Oc2c(c(-c3ccccc3)nn2-c2ccc(Cl)c(Cl)c2)[C@@H]1c1ccc(Cl)cc1 1865683151 HAWWUAUDQNYOAI-OAQYLSRUSA-N 493.781 6.718 50 10 JKGE CCCOc1ccc([C@H]2C(C#N)=C(N)Oc3c2c(C(F)(F)F)nn3Cc2ccc(Cl)cc2)cc1 1865693237 IOTUBYHDKVACKC-IBGZPJMESA-N 488.897 5.611 50 10 JKGE CCCCCOc1ccc([C@H]2C(C#N)=C(N)Oc3c2c(C)nn3Cc2ccc(C)cc2)cc1OC 1865695141 LAYGRZADFOMURA-SANMLTNESA-N 472.589 5.344 50 10 JKGE CCc1nn(-c2cccc3ccccc23)c2c1[C@@H](c1ccccc1OC(C)C)C(C#N)=C(N)O2 1865704821 FMHMMBXPLGDTDH-VWLOTQADSA-N 450.542 5.593 50 10 JKGE Cc1nn(-c2ccc(Cl)c(Cl)c2)c2c1[C@H](c1ccccc1OC(C)C)C(C#N)=C(N)O2 1865704923 IAIGRWHGKOJPBU-OAQYLSRUSA-N 455.345 5.493 50 10 JKGE CCCc1nn(-c2ccc(C)cc2)c2c1[C@@H](c1cccc(OCc3ccccc3)c1)C(C#N)=C(N)O2 1865711873 KAMMNZNQQKPXEF-MHZLTWQESA-N 476.580 5.930 50 10 JKGE COc1ccc(-c2nn(-c3ccc(C)cc3)c3c2[C@@H](c2cccc(OC)c2)C(C#N)=C(N)O3)cc1 1865712222 SMMUUDAHEVTPQA-DEOSSOPVSA-N 464.525 5.083 50 10 JKGE Cc1ccc(C(=O)CCC(=O)NNC(=O)c2ccc(-c3ccc(Cl)cc3Cl)nc2C)cc1 1865759597 IKVQBECQDYQCFP-UHFFFAOYSA-N 470.356 5.096 50 10 JKGE CCCC[C@H](NC(=O)[C@H](c1ccc(OC)c(OC)c1)C(C)C)C(=O)Nc1ccc(SC#N)cc1 1866998192 VDSDRYIHYBGZMW-URXFXBBRSA-N 483.634 5.330 50 10 JKGE COc1cc2nc(/C(C#N)=C/c3cccc(OC)c3OCc3cccc(C)c3)nc(O)c2cc1OC 1872727428 APPVGRPHUYOYIH-UDWIEESQSA-N 483.524 5.313 50 10 JKGE CCCCCCCCCOc1ccc(/C=C(\C#N)c2ccccc2[N+](=O)[O-])cc1Br 1872729496 NLWXABOMKAPVCQ-CAPFRKAQSA-N 471.395 7.551 50 10 JKGE N#C/C(=C(/O)c1ccc2c(c1)C(=O)N(Cc1ccccn1)C2=O)c1nc(-c2ccc(F)cc2)cs1 1872752247 SYFDCXDOEDPLPG-LNVKXUELSA-N 482.496 5.090 50 10 JKGE COc1ccc(OC/C(O)=C(\C#N)c2nc(-c3ccc(Cl)s3)cs2)c(C(C)(C)C)c1 1872758116 MGGGDXPXYNMBQB-VKAVYKQESA-N 461.008 6.703 50 10 JKGE COc1cc(/C=C(\C#N)c2nc(-c3ccc(F)cc3)cs2)ccc1OCc1ccc(Cl)cc1 1872791217 CAJPNRVCUCXQOP-UDWIEESQSA-N 476.960 7.254 50 10 JKGE CCOc1ccc(/C=C(C(/O)=C(\C#N)c2nc(-c3ccc(F)cc3F)cs2)\c2ccccc2)cc1 1872817940 DYDKQJWFIPIIKE-QQKYJPQESA-N 486.543 7.520 50 10 JKGE CCc1nn(C)c([C@H](Br)c2c(Cl)sc(Cl)c2Cl)c1Br 1877188414 PVXFKECFVCPRMX-SSDOTTSWSA-N 467.441 6.251 50 10 JKGE Clc1cc([C@@H](Br)c2ccc(OCc3ccccc3)cc2Br)cs1 1899848873 GWZNYMBBLQBJEW-GOSISDBHSA-N 472.629 7.227 50 10 JKGE Cn1cnc(Br)c1[C@H](Br)c1cc(Br)sc1Br 1900420675 NJGGGKURIMYXLI-ZCFIWIBFSA-N 493.844 5.253 50 10 JKGE FC(F)(F)Oc1cccc([C@@H](Br)c2sc(Br)cc2Br)c1 1922892307 RFEHVPQVJASQLB-SNVBAGLBSA-N 494.952 6.656 50 10 JKGE COC1(C(F)(F)[C@H](Br)c2sc(Br)cc2Br)CCC1 1922905975 FDYGCDAARQWTSR-SECBINFHSA-N 468.983 5.914 50 10 JKGE Cc1c(Br)sc([C@@H](Br)[C@H]2CC(C)(C)OC2(C)C)c1Br 1922911511 DBSPMAHDEOATRA-SCZZXKLOSA-N 475.084 6.611 50 10 JKGE Cc1sc(Br)cc1[C@H](Cl)c1sc(Br)c(C)c1Br 1922920242 DWDMEUAXNIFWRC-VIFPVBQESA-N 479.484 7.042 50 10 JKGE Cc1ccc(Cl)cc1[C@@H](Br)c1sc(Br)cc1Br 1922934938 LGMPDXSCCYNUAT-LLVKDONJSA-N 459.428 6.719 50 10 JKGE COc1cccc(OC)c1[C@@H](Cl)c1c(Br)sc(Br)c1Cl 1923047479 BZUFRUHHNOHJAT-SNVBAGLBSA-N 461.002 6.272 50 10 JKGE COC1(C[C@@H](Br)c2c(Br)sc(Br)c2Cl)CCC1 1923049834 OEVUCKYWUCUCEI-ZCFIWIBFSA-N 467.448 6.322 50 10 JKGE CC1(C)CCC[C@H]1[C@H](Cl)c1c(Br)sc(Br)c1Br 1924583643 MUSGQGOTGIIKOW-RCOVLWMOSA-N 465.476 7.142 50 10 JKGE C[C@@H]1C[C@@H]1[C@@H]1C[C@@H]1[C@@H](Cl)c1c(Br)sc(Br)c1Br 1924613605 SDSNJQDPVBPIOZ-QCOGTNEFSA-N 463.460 6.608 50 10 JKGE O=C(N[C@@H](CBr)CC1CCCC1)c1c(Br)cccc1Br 1926740668 MPQDLSUWWPFAAJ-LLVKDONJSA-N 468.027 5.285 50 10 JKGE CN(CCN(Cc1ccccc1)c1ncc(Br)cc1CCl)Cc1ccccc1 1931962971 BAKGDASJBDIKRG-UHFFFAOYSA-N 458.831 5.722 50 10 JKGE Cc1cc(Br)sc1[C@H](Br)c1ccc(F)cc1I 1950207581 IHQUDOPUUJFGTP-LLVKDONJSA-N 489.973 6.047 50 10 JKGE COCC1([C@@H](Br)c2c(Br)sc(Br)c2Cl)CC1 1975748133 VGHNQEXAZISQBJ-ZETCQYMHSA-N 453.421 5.789 50 10 JKGE Cc1c(Br)sc([C@H](Br)[C@@]2(C)C[C@H]2C(F)(F)F)c1Br 2039184757 DYLOXKQJBVQGSZ-OOSDCERQSA-N 470.974 6.606 50 10 JKGE CC1(C)C[C@@H](C[C@@H](Br)c2c(Br)sc(Br)c2Cl)CO1 2041481536 FGXPVEVPHZNEAZ-RNFRBKRXSA-N 481.475 6.568 50 10 JKGE CCN(c1cc(Br)cc(F)c1CBr)[C@H]1CCN(Cc2ccccc2)C1 2051132738 GAAGVOICAQTQET-KRWDZBQOSA-N 470.224 5.584 50 10 JKGE Cc1c(Br)ccc([C@@H](Cl)c2c(Br)cnn2C)c1Br 2083334757 UCNCVJAZDXIUOP-LLVKDONJSA-N 457.391 5.344 50 10 JKGE COc1c(Br)cc(C)cc1[C@H](Br)c1nscc1Br 2083456552 VCIUCSUUNRROHT-JTQLQIEISA-N 455.997 5.469 50 10 JKGE BrCCCC1CCN(Cc2c(Br)cccc2Br)CC1 2094088148 HYJJVEUIJHGTQD-UHFFFAOYSA-N 454.044 5.599 50 10 JKGE O=C(c1cc(Br)c(Br)s1)N1CC2(CC[C@H]1CBr)CC2 2097880041 OSUQFNRPWZELRA-QMMMGPOBSA-N 472.040 5.053 50 10 JKGE FC1(F)CCCCC[C@@H]1[C@H](Br)c1cc(Br)ccc1Br 2108659471 VARWHICKHIVCSQ-DGCLKSJQSA-N 460.982 6.863 50 10 JKGE Brc1cccc(C[C@@H](Br)c2cc(Br)c3c(c2)CCO3)c1 2146630268 VRSAJTXGRFSAIR-CQSZACIVSA-N 460.991 5.825 50 10 JKGE COc1cc(C)c(Br)cc1[C@H](Cl)c1cccc(Br)c1Br 2148754131 YOYOBSDTCANROV-OAHLLOKOSA-N 483.425 6.619 50 10 JKGE COc1cc(Cl)c([C@H](Cl)c2csc(Br)c2Br)cc1OC 2150341628 HPTZSPWIRAPQLX-LBPRGKRZSA-N 461.002 6.272 50 10 JKGE Cc1cc(Br)c([C@@H](Cl)c2cc(Br)c(Cl)cc2F)cc1Cl 2154120917 IYAIVNACSWXDSB-CQSZACIVSA-N 461.383 7.294 50 10 JKGE BrCc1ccc(N2CCOCC23CCN(Cc2ccccc2)CC3)c(Br)c1 2163146224 GJQNEAUKDAWSJV-UHFFFAOYSA-N 494.271 5.215 50 10 JKGE Cc1cc(Br)c([C@H](Br)[C@@H]2CCn3ccnc3C2)cc1Br 2165269252 XYPXTKJSBPLRPU-MEBBXXQBSA-N 463.011 5.415 50 10 JKGE CC(C)(C)OC(=O)N1Cc2sc(NC(=O)[C@H](Br)C3CCCC3)nc2C1(C)C 2167034534 XEINEANCGBFBBV-CYBMUJFWSA-N 458.422 5.021 50 10 JKGE Cn1nc(CC(CBr)(CBr)C2CCCCCC2)cc1Br 2168209655 FEOLCOHAMAIOFO-UHFFFAOYSA-N 471.075 5.472 50 10 JKGE Cc1cc(Br)c([C@H](Br)c2cc3cnn(C)c3s2)cc1Br 2175234914 VSNNWFKFPPEMHZ-ZDUSSCGKSA-N 479.035 5.953 50 10 JKGE Brc1c2c(c([C@H](Br)C3CC(Br)C3)c3c1CCC3)CCC2 2196891385 RVJAIGPYXGSLGY-UDUZUONDSA-N 463.051 6.036 50 10 JKGE Cc1cc(Br)c(C)c([C@@H](Br)C2(CC(F)(F)F)CC2)c1Br 2201074651 ATTMMVNNUYFDBV-GFCCVEGCSA-N 478.972 6.997 50 10 JKGE Cc1cc(Br)c(C)c([C@@H](Br)[C@@H]2CC3CCC2CC3)c1Br 2201075812 WKMBOUUCHZHORZ-GIOFZSJBSA-N 465.067 7.091 50 10 JKGE Cc1c(Br)ccc([C@H](Br)[C@H]2C[C@@H]2C2CCOCC2)c1Br 2203689945 YZFUJKQVONXACX-WWGRRREGSA-N 467.039 6.019 50 10 JKGE Clc1cc(C[C@@H]2CCCCCCCC[C@H]2Br)ccc1I 2208042077 CJCUSANFCQVZRG-LSDHHAIUSA-N 469.632 7.001 50 10 JKGE Cc1c(Br)sc([C@@H](Br)[C@H]2C[C@H]3CCC[C@H](C3)C2)c1Br 2225322888 YBKGJOLQPMZDOI-NOHGZBONSA-N 471.096 7.234 50 10 JKGE C[C@]1([C@H](Br)c2cc(Br)c(Br)cc2F)C[C@H]1C(F)(F)F 2225615659 KEEUCBNEHAGFCW-MXWKQRLJSA-N 468.908 6.375 50 10 JKGE Cc1cc(Br)c([C@H](Br)[C@@]23CCOC[C@H]2C3)c(C)c1Br 2227359993 NXOGXEFSWXIXAR-WKPIXPDZSA-N 453.012 5.691 50 10 JKGE Cc1sc([C@@H](Br)c2cc(Br)c(Cl)cc2F)c(Br)c1C 2229324798 ZTFFLCSPGGAKNM-LBPRGKRZSA-N 491.445 7.167 50 10 JKGE CC(C)[C@H](CN(C)Cc1ccccc1)n1c(CCl)nc2c(F)cc(Br)cc21 2232932105 ZTHQBOPQXIJFEM-IBGZPJMESA-N 452.799 6.006 50 10 JKGE Cc1cc(Br)c([C@H](Br)[C@@H](CC(C)C)C(C)C)c(C)c1Br 2235613896 CAKOKTLJAHPJBE-SUMWQHHRSA-N 469.099 7.583 50 10 JKGE COC1([C@H](Br)c2sc(Br)c(C)c2Br)CC(CF)C1 2255037154 GRSHTZUZEXCNSH-VPHNTROTSA-N 465.020 5.782 50 10 JKGE CCc1sc(Br)cc1[C@H](Br)c1cccc(Cl)c1Br 2256135895 IKWOHJJDCLHVKW-GFCCVEGCSA-N 473.455 6.973 50 10 JKGE O=C(c1cc(Br)c(F)cc1Cl)N(Cc1ccccc1)[C@H](CBr)C1CC1 2258088025 MZJZYGDEQFSMPQ-GOSISDBHSA-N 489.610 6.058 50 10 JKGE Fc1cc(Br)c(F)c(Br)c1[C@@H](Cl)c1sncc1Br 2260004351 AHPGYEYXEDJERC-MRVPVSSYSA-N 482.369 6.037 50 10 JKGE COc1sc([C@@H](Br)c2cc(F)c(Br)cc2F)cc1Br 2267240720 COQANAJZZKIEGN-NSHDSACASA-N 476.962 6.044 50 10 JKGE COc1ccc([C@H](Br)c2ccc(C)c(Cl)c2)cc1I 2269554152 DXSCXRRXXDWTJZ-OAHLLOKOSA-N 451.529 5.746 50 10 JKGE CC(C)CN(C[C@H](C)Br)C(=O)c1cc(Br)cc(Br)c1 2272428362 KFGAGUDFPNBKOA-JTQLQIEISA-N 456.016 5.093 50 10 JKGE C[C@H]([C@@H]1CCCO1)[C@@H](Br)c1c(F)cc(Br)c(F)c1Br 2272728594 LBSDQAMENLVCMA-OUAIYISWSA-N 462.954 5.741 50 10 JKGE COc1ccc([C@@H](Br)c2c(F)cc(Br)c(F)c2Br)s1 2272748007 QDCIXJGNKWMYOH-SNVBAGLBSA-N 476.962 6.044 50 10 JKGE CCC[C@@H](C(C)C)[C@H](Br)c1c(F)cc(Br)c(F)c1Br 2272855235 KQQJHEVDIKUKNS-UFBFGSQYSA-N 462.998 6.998 50 10 JKGE CC1CC2(C1)CC([C@@H](Br)Cc1cc(Br)cc(Br)c1)C2 2277955171 HPFOWBUXGDHZIB-RYATVMSWSA-N 451.040 6.344 50 10 JKGE Brc1cc(Br)cc(C[C@H](Br)[C@H]2COC3(CCC3)C2)c1 2277961161 PRSRTRPSKLMHFC-RISCZKNCSA-N 453.012 5.477 50 10 JKGE C[C@@H](Cl)c1nc(O)c2c(-c3cc(Br)c(Br)s3)csc2n1 2281277211 ZZRAFZFBLCWPNJ-SCSAIBSYSA-N 454.596 5.950 50 10 JKGE Cc1cc(Br)c(C)c([C@H](Br)C[C@@H]2CCCC23CC3)c1Br 2281374209 ZHNRFWLOBXPCOI-GXTWGEPZSA-N 465.067 7.235 50 10 JKGE COc1cc(C)c([C@@H](Cl)c2ccc(Cl)c(I)c2)cc1Br 2283578565 GUPWISVKXYOCGB-HNNXBMFYSA-N 485.974 6.352 50 10 JKGE COc1ccc([C@@H](Br)C(F)(F)C2CCCCC2)cc1I 2285000052 ANFNUWNSDBGXPO-CQSZACIVSA-N 459.112 5.951 50 10 JKGE COc1ccc([C@H](Br)c2c(F)ccc(Cl)c2F)cc1I 2285011214 QHISEJFIQASYDA-ZDUSSCGKSA-N 473.482 5.716 50 10 JKGE Fc1cc(Br)c(F)c(Br)c1[C@@H](Br)C[C@@H]1C[C@H]2CC[C@H]1C2 2288373360 IGSCGQHIEBUZJV-XKNYDFJKSA-N 472.993 6.752 50 10 JKGE Fc1cc(Br)c(F)c(Br)c1[C@@H](Br)C1CC2(CC(F)C2)C1 2288488503 JCZQKOJKBWZVCY-URPYPMCZSA-N 476.956 6.454 50 10 JKGE CC(C)([C@H]1CCCO1)[C@@H](Br)c1c(F)cc(Br)c(F)c1Br 2288498578 IMFOSMJWRUGIMB-RNCFNFMXSA-N 476.981 6.131 50 10 JKGE Cc1ccc(N2C(=O)[C@H](Cc3cccc(Cl)c3)SC2=C(C#N)C(=O)Nc2ccccc2)cc1 2293038868 CGVBDLHDNYDKEI-QHCPKHFHSA-N 473.985 5.713 50 10 JKGE COc1cc([C@H](Cl)c2cc3sc(Br)cc3s2)ccc1Br 2295412588 YHCUUICAEAWHMN-AWEZNQCLSA-N 452.620 6.825 50 10 JKGE COc1c(Br)cc([C@@H](Cl)c2cc(I)sn2)c(OC)c1C 2295418296 FDGJPPTVCYJWEW-LLVKDONJSA-N 488.572 5.164 50 10 JKGE Cc1ccc(CSC(Nc2cccc(Cl)c2C)=C(C#N)S(=O)(=O)c2ccccc2)cc1 2297349914 AVMCPPOCXMASJQ-UHFFFAOYSA-N 469.031 6.469 50 10 JKGE COC(=O)C(C#N)=Cc1cc(OC)c(OCc2ccc(Cl)cc2Cl)cc1Br 2297576587 QGEMNZIBFXJGRH-UHFFFAOYSA-N 471.134 5.423 50 10 JKGE COc1cc(C=NNC(=O)[C@H]2C[C@H]2c2ccccc2)ccc1OCc1cccc2ccccc12 2297659897 ULSQCQJGIHXWRR-UIOOFZCWSA-N 450.538 5.681 50 10 JKGE Cc1scc([C@H](Cl)c2c(Br)sc(Br)c2Cl)c1Br 2303644206 OXDPBHVVMKIYAW-ZETCQYMHSA-N 499.902 7.387 50 10 JKGE Clc1c(Br)sc(Br)c1[C@@H](Br)[C@H]1O[C@H]2CC[C@H]1C2 2307421862 YNFNZXAPOGLYMM-PGLSMWOHSA-N 465.432 5.930 50 10 JKGE COc1cc(C=C(C#N)C(=O)Nc2cccc(Cl)c2Cl)ccc1OCc1ccc(F)cc1 2313570605 AYHWFMIDSDYTJG-UHFFFAOYSA-N 471.315 6.266 50 10 JKGE N#CC(=Cc1ccc(-c2cc(C(=O)O)ccc2Cl)o1)C(=O)Nc1cccc(Cl)c1Cl 2313571024 LQSHCADVBFPTBP-UHFFFAOYSA-N 461.688 6.151 50 10 JKGE CCc1ccc(N2C(=O)[C@H](Cc3ccc(C)c(C)c3)SC2=C(C#N)C(=O)NCc2ccco2)cc1 2314593773 SLEOKSUXKBPWOJ-VWLOTQADSA-N 485.609 5.202 50 10 JKGE CC1=C(C#N)C(=O)N(C2CCCCC2)C(=O)C1=Cc1cn(-c2ccccc2)nc1-c1ccc(F)cc1 2314616720 IEZCOPGPUHXBEJ-UHFFFAOYSA-N 480.543 5.603 50 10 JKGE CCCCOc1ccc(C=C(C#N)C(=O)Nc2sc3c(c2C(=O)OC)CC[C@@H](C)C3)cc1 2314735661 XOUXNJZACIHUJI-MRXNPFEDSA-N 452.576 5.384 50 10 JKGE CCCCNC(=O)C(C#N)=Cc1ccc(OC(=O)C=Cc2ccc(Cl)cc2Cl)c(OC)c1 2314777214 SYZDDFYINBFONU-UHFFFAOYSA-N 473.356 5.444 50 10 JKGE CCN(C[C@@](C)(CI)OCCCCCC(F)(F)F)C(=O)OC(C)(C)C 2315805502 ZRDZOBTYBIQNJT-MRXNPFEDSA-N 481.337 5.576 50 10 JKGE CC12CC(C1)[C@H]([C@H](Cl)c1c(Br)sc(Br)c1Br)CO2 2315914799 SOFJCXFPMGBWRN-NUXFDESASA-N 479.459 6.131 50 10 JKGE Clc1cc(I)c([C@H](Br)[C@H]2C[C@H]3COC[C@H](C3)C2)s1 2316597680 VDKIKVNDDVFHEX-JXVAYASWSA-N 461.590 5.505 50 10 JKGE CCOc1cc(C=NNC(=O)c2cccc([N+](=O)[O-])c2)ccc1OCc1ccc(Cl)cc1Cl 2321680362 UCBLFJJCGUWPLQ-UHFFFAOYSA-N 488.327 5.643 50 10 JKGE CCOC(=O)c1c(NC(=O)C(C#N)=Cc2ccccc2)sc(C)c1-c1ccc(Br)cc1 2325311258 QCKVPFVWLFDXHJ-UHFFFAOYSA-N 495.398 6.208 50 10 JKGE CCN(CC)c1ccc(C=C2Oc3c(ccc(OCc4ccc(CCl)cc4)c3C)C2=O)cc1 2325339800 NQUKDPZYWIFNAB-UHFFFAOYSA-N 461.989 6.775 50 10 JKGE Cc1cc(I)ccc1NC(=O)C(C#N)=CNc1ccc2ccccc2c1 2325406473 PRGRCWIMBOQPIX-UHFFFAOYSA-N 453.283 5.211 50 10 JKGE N#CC(=C(O)Cc1ccc(OCc2ccccc2)cc1)c1nc(-c2ccc3c(c2)CCCC3)cs1 2331239578 LLOONNZOQXWFHM-UHFFFAOYSA-N 478.617 7.303 50 10 JKGE CCc1ccc(-c2csc(C(C#N)=C(O)[C@H]([C@@H](C)CC)N3C(=O)c4ccccc4C3=O)n2)cc1 2331245872 CRNIYNCGQUKALY-HJPURHCSSA-N 471.582 5.876 50 10 JKGE Cc1ccc(-c2csc(C(C#N)=C(O)[C@@H](C)Oc3ccc(Cl)cc3Br)n2)c(C)c1 2331310941 XRGRJQJMZIYMFX-CQSZACIVSA-N 489.822 7.103 50 10 JKGE N#CC(=C(O)Cc1ccc(OCc2ccccc2)cc1)c1nc(-c2ccc(F)c(F)c2)cs1 2331351274 FCMKWQNCOSGQAN-UHFFFAOYSA-N 460.505 6.703 50 10 JKGE FC(F)c1ccc([C@@H](Br)c2ccc(OCc3ccccc3)cc2Br)cc1 2336041151 LRLMCUZXJMLIJK-HXUWFJFHSA-N 482.162 7.450 50 10 JKGE Fc1ccc(C[C@@H](Br)c2cc(Br)ccc2OCc2ccccc2)c(F)c1 2336047194 JYILOIROBUBHOR-LJQANCHMSA-N 482.162 6.985 50 10 JKGE Brc1ccc(OCc2ccccc2)c([C@H](Br)[C@]23CCCC[C@@H]2OCC3)c1 2336080515 ZOSJBUHDXBPVDL-FKBYEOEOSA-N 480.240 6.813 50 10 JKGE COCC1([C@@H](Br)c2c(Cl)cc(Br)c(F)c2Br)CCC1 2337093629 HDRAFEABDCCJLA-LBPRGKRZSA-N 479.409 6.257 50 10 JKGE Cc1cc(Br)c(F)c(Br)c1[C@@H](Br)CCC1CC(C)C1 2339649153 SDDSJFCARXXQKO-RFBVYIQQSA-N 457.019 6.921 50 10 JKGE Cc1c(OCc2ccc(I)c(Br)c2)ccnc1CCl 2350058133 MNSKZTIBKXRPKV-UHFFFAOYSA-N 452.517 5.075 50 10 JKGE Fc1cc(CBr)c(N2CC[C@@H]3[C@H](CCCN3Cc3ccccc3)C2)cc1Cl 2362389722 WXIQNORPKAGXAZ-DYESRHJHSA-N 451.811 5.865 50 10 JKGE CCOc1ccc(Br)cc1[C@H](Br)c1c(Br)nc(C)n1C 2362438967 APKHHKIRTZUMPI-LBPRGKRZSA-N 466.999 5.137 50 10 JKGE COc1cc([C@@H](Cl)c2scc(Br)c2Br)c(OC)cc1Cl 2363532021 CZSCCPXZEIMGSR-GFCCVEGCSA-N 461.002 6.272 50 10 JKGE CC(C)[C@@H](Cl)C(C)(C)CNC(=O)c1ccc(I)c(Br)c1 2365861613 NEDTVPNWWFXPPT-CYBMUJFWSA-N 472.592 5.073 50 10 JKGE COCc1cc(Br)c([C@@H](Br)c2c(Cl)cc(F)cc2Cl)s1 2366409403 UXVTZYWVOVDPJQ-LBPRGKRZSA-N 462.993 6.587 50 10 JKGE ClC[C@@]1(Cc2ccc(I)c(Br)c2)C[C@H]2C=C[C@H]1CCC2 2377311061 QRKLVYGDKGLMEC-MRRJBJDNSA-N 465.600 6.198 50 10 JKGE CCc1cc(Br)c(OC)c([C@H](Br)c2cc(Br)n(C)n2)c1 2381258420 QYWVCIGFHZEXGU-ZDUSSCGKSA-N 466.999 5.000 50 10 JKGE CCOc1cccc(NC(=O)/C(C#N)=C\c2cn(CC(=O)Nc3ccccc3)c3ccccc23)c1 6389566 YUKQLVTYCOBMEI-HKWRFOASSA-N 464.525 5.224 50 10 JKGE CC(C)(C)c1ccc(C(=O)NNC(=O)c2ccc(NC(=O)c3ccccc3)cc2)cc1Br 13982220 MOWMEBZYRKVWIF-UHFFFAOYSA-N 494.389 5.074 50 10 JKGE CCCCOc1ccc(Br)cc1C(=O)NNC(=O)[C@H](C)Oc1ccc2ccccc2c1 14649899 HYGFUNXXJGTSOK-INIZCTEOSA-N 485.378 5.010 50 10 JKGE Cc1cccc(CS/C(Nc2c(C)cc(C)cc2C)=C(\C#N)S(=O)(=O)c2ccccc2)c1 20325733 JSLHXTGZNKZYHE-SHHOIMCASA-N 462.640 6.432 50 10 JKGE N#C/C(=C/c1ccc(-c2cccc([N+](=O)[O-])c2)o1)C(=O)Nc1ccc([N+](=O)[O-])cc1C(F)(F)F 33930463 CJWJMIRYVIWDDA-LCYFTJDESA-N 472.335 5.327 50 10 JKGE COc1cc(/C=C(/C#N)C(=O)Nc2cccc(Cl)c2)ccc1OCc1ccc(C(=O)O)cc1 33932809 NZMZNCIJRDLYOQ-ODLFYWEKSA-N 462.889 5.171 50 10 JKGE ClCCc1nc2cc(Br)ccc2n1-c1ccccc1I 36910588 JZDVYNKSLFXTMB-UHFFFAOYSA-N 461.528 5.174 50 10 JKGE C=CCOc1ccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)[C@@H](C)Oc4ccc(CC)cc4)ccc32)cc1 38658250 SLOOPOKZBMWURI-GDJIYFAZSA-N 496.563 5.405 50 10 JKGE Cc1cc(OC(=O)c2oc3c(c2C)/C(=N/NC(=O)Cc2ccccc2)CCC3)ccc1Cl 40815902 NELVPDLUUQVQMB-NHFJDJAPSA-N 450.922 5.168 50 10 JKGE Cc1ccc(OCC(=O)Oc2ccc(/C=C(\C#N)C(=O)NCc3ccco3)cc2)c(C(C)(C)C)c1 40929927 MYBDBMJKIJJKPK-RCCKNPSSSA-N 472.541 5.093 50 10 JKGE CCOc1cc(/C=N\NC(=O)CC[C@H](O)c2ccccc2)cc(Cl)c1OCc1cccc(F)c1 58891386 ZCYPCPPLDYGTFJ-XZJBEKIMSA-N 484.955 5.421 50 10 JKGE CC(/C=C/c1ccccc1)=N\NC(=O)CSc1nnc(CCc2ccccc2)n1-c1ccccc1 58991445 RPMMSQBPAJSXMR-SAOBBBKYSA-N 481.625 5.350 50 10 JKGE C=CCc1cc(/C=N/NC(=O)c2cc3ccccc3o2)cc(OC)c1OCc1ccc2ccccc2c1 59305196 OIKVBLXNKQNSBJ-BIZUNTBRSA-N 490.559 6.666 50 10 JKGE CCCCCCCCCCCCCCCCCCN(C)C(=S)N[C@@H]1CS(=O)(=O)C[C@@H]1Cl 59568394 UWERRKKKZDFYFU-XZOQPEGZSA-N 495.239 6.459 50 10 JKGE Fc1ccc(Br)c(C[C@H](CBr)c2ccc(Br)cc2)c1 118657889 DQHCIBZDHKSGRI-GFCCVEGCSA-N 450.971 6.072 50 10 JKGE Clc1ccccc1C(CBr)(CBr)Cc1sccc1Br 118671425 DVBRYOZNWJQWRG-UHFFFAOYSA-N 487.482 6.434 50 10 JKGE Fc1ccc(Br)cc1CC(CCl)(CCl)c1ccc(Br)cc1 118874619 CLVKHFIMRPBMPJ-UHFFFAOYSA-N 454.992 6.309 50 10 JKGE Clc1ccccc1CC(CBr)(CBr)c1ccccc1Br 118878948 SZXXTVFUINAZHP-UHFFFAOYSA-N 481.453 6.373 50 10 JKGE FC(F)(F)c1cc([C@@H](Br)c2ccc(Cl)c(Cl)c2)ccc1Br 124614878 RQHUXDZWAMWVIV-CYBMUJFWSA-N 462.918 7.259 50 10 JKGE O=C(N/N=C/c1ccc(Cl)c(Cl)c1)c1cc(-c2ccccc2)nc(N2CCCCC2)n1 169927521 ZRLPWWQDDWQBQP-CVKSISIWSA-N 454.361 5.205 50 10 JKGE Brc1ccc(I)c([C@H](Br)c2ccccc2)c1 232483589 QKLOGDCGMFPZGS-CYBMUJFWSA-N 451.927 5.538 50 10 JKGE N#Cc1ccc(COc2c(Br)cc(CBr)cc2Br)cc1 232484732 NUPXMGFOCYZMIF-UHFFFAOYSA-N 459.963 5.557 50 10 JKGE COc1ccc(OC)c([C@@H](Br)c2cc(Br)cc(Br)c2)c1 234961784 ZAIYQGWMSBQYPD-HNNXBMFYSA-N 464.979 5.713 50 10 JKGE Cc1cc([C@H](Br)c2cc(Br)sc2Br)c(C)cc1Cl 235857657 UJONUJDSFGLKQG-LBPRGKRZSA-N 473.455 7.028 50 10 JKGE CCOc1cc(C=NNC(=O)CSc2nc3ccccc3n2Cc2ccc(Cl)cc2)ccc1O 252642006 ZIAIKVJYYGBOEC-UHFFFAOYSA-N 495.004 5.085 50 10 JKGE CC(=O)O[C@H]1CC[C@]2(C)[C@@H]3CC[C@]4(C)[C@H]([C@H](C)[C@@H]5O[C@@H]5[C@H](C)C(C)C)CC[C@@H]4[C@@]34CC[C@@]2(C1)OO4 254396616 TUUMXOVLVDUNHM-VNLUYTNLSA-N 488.709 6.480 50 10 JKGE Cc1ccc(CSc2nnc(SCC(=O)NN=CC(=S)Nc3ccc(C)cc3)s2)cc1 254559059 VBNFHVANRGTHSY-UHFFFAOYSA-N 487.701 5.081 50 10 JKGE Cc1ccc(COc2c(C)cc(Br)cc2CBr)cc1Br 313671508 CJIRJTACARWASB-UHFFFAOYSA-N 463.007 6.302 50 10 JKGE Cc1ccc(COc2c(Br)cc(Br)cc2CCl)cc1Br 313688327 VPDUOXQEPDPVMB-UHFFFAOYSA-N 483.425 6.600 50 10 JKGE Fc1cc2c(cc1Br)nc(CCCl)n2C1CCN(Cc2ccccc2)CC1 379555023 AFSAGBQFTXIUIJ-UHFFFAOYSA-N 450.783 5.556 50 10 JKGE FC(F)(F)c1csc([C@@H](Br)Cc2cccc(Br)c2)c1Br 380121287 KVYOORIWDIVWIH-JTQLQIEISA-N 492.980 6.971 50 10 JKGE C[C@@H](Br)C[C@H]1CCCCN1C(=O)c1cc(Br)ccc1Br 380208987 GNYTTWHUOACNDN-ZYHUDNBSSA-N 468.027 5.380 50 10 JKGE C[C@H]1[C@H](n2c(CCl)nc3cc(I)ccc32)CCN1Cc1ccccc1 385278121 RETTWSMSNVHOCR-KBXCAEBGSA-N 465.766 5.215 50 10 JKGE C[C@@H](Cn1c(CCCl)nc2cc(I)c(F)cc21)N(C)Cc1ccccc1 390594112 TXFQKVBSWFWLAV-AWEZNQCLSA-N 485.772 5.082 50 10 JKGE BrCc1cc(Br)cc(Br)c1OC[C@@H]1CC[C@H]2C[C@H]2C1 403746847 NWTDNNOYEFONHX-OUAUKWLOSA-N 453.012 5.922 50 10 JKGE Fc1cccc(C[C@H](Cl)c2ccc(I)c(Br)c2)c1F 721574298 XRDRDLPKLHGBCE-NSHDSACASA-N 457.483 5.855 50 10 JKGE CCO[C@@H]1CCC[C@@H](O[C@H](CI)c2cccc(Br)c2)C1 721645116 ZWNJJVGSTSJMGT-BZUAXINKSA-N 453.158 5.290 50 10 JKGE CC(C)(C)c1ccc([C@H](Br)c2cccc(F)c2I)s1 721685685 WMYUTMDCVWEIAD-CYBMUJFWSA-N 453.158 6.274 50 10 JKGE COC(=O)c1cccc(-c2ccc(C=NNC(=O)c3cc4cc(Br)ccc4o3)o2)c1C 1084259732 NZGMPLKINKNCEZ-UHFFFAOYSA-N 481.302 5.314 50 10 JKGE C=CCOc1ccc(C=NNC(=O)c2ccc(CSc3ccc(Cl)cc3)cc2)cc1OCC 1084359147 ICMJNDXGJFOOHB-UHFFFAOYSA-N 481.017 6.360 50 10 JKGE O=C(NN=Cc1ccc(OCc2ccc(Cl)cc2)cc1)c1cc2cc(Br)ccc2o1 1084554640 KUDWVRLTUJYCNS-UHFFFAOYSA-N 483.749 6.192 50 10 JKGE Cc1ccc(NC(=O)c2oc3c(c2C)C(=NNC(=O)c2ccc4ccccc4n2)CCC3)c(C)c1 1772751181 JRWIKLIDYPZDDW-UHFFFAOYSA-N 466.541 5.476 50 10 JKGE CCOc1ccc(/C=C/C(=O)NNC(=O)c2ccc(-c3ccc4ccccc4c3)s2)cc1OC 1860391424 GIBWOCRHFRTXLF-OQLLNIDSSA-N 472.566 5.450 50 10 JKGE CCCc1nn(Cc2ccc(Cl)c(Cl)c2)c2c1[C@@H](c1cc(C)ccc1O)C(C#N)=C(N)O2 1865687000 HDYVXTYLLCEBOM-NRFANRHFSA-N 469.372 5.423 50 10 JKGE Cc1ccc(O)c([C@H]2C(C#N)=C(N)Oc3c2c(-c2ccccc2)nn3-c2ccc(Cl)cc2)c1 1865687363 PPCHYVBIFVIXSY-QFIPXVFZSA-N 454.917 5.425 50 10 JKGE CCOc1ccc([C@@H]2C(C#N)=C(N)Oc3c2c(-c2ccc(OC)cc2)nn3Cc2cccc(F)c2)cc1 1865695004 HQOVAGXUBXMQSG-RUZDIDTESA-N 496.542 5.363 50 10 JKGE Cc1nc(-c2ccc(F)cc2F)ccc1C(=O)NNC(=O)/C=C/c1ccc(OCc2ccccc2)cc1 1865759503 DJOZGOTTYGEASA-CXUHLZMHSA-N 499.517 5.389 50 10 JKGE Cc1nc(-c2ccc(Cl)cc2Cl)ccc1C(=O)NNC(=O)[C@H](C)Oc1ccc(C(C)C)cc1 1865759739 PUPGVBNBYYFODW-INIZCTEOSA-N 486.399 5.716 50 10 JKGE COc1ccc(OC)c(C/C(O)=C(\C#N)c2nc(-c3ccc(-c4ccccc4)cc3)cs2)c1 1872743726 JHFVOPYSMDEGKH-BZZOAKBMSA-N 454.551 6.530 50 10 JKGE COc1cc(/C=C/C(O)=C(\C#N)c2nc(-c3cccc(Br)c3)cs2)ccc1OC(C)=O 1872746205 XQVCUKGLJPCLML-PTYIPUSCSA-N 497.370 6.013 50 10 JKGE CC(C)(C)c1ccc(OCCC/C(O)=C(\C#N)c2nc(-c3ccc(Br)cc3)cs2)cc1 1872746764 XBLNINSHMGOLHS-LNVKXUELSA-N 497.458 7.522 50 10 JKGE COc1ccc(Cl)cc1-c1csc(/C(C#N)=C(\O)COc2cc(Cl)ccc2Cl)n1 1872758575 HIJKBKUJNSMNAJ-VKAVYKQESA-N 467.761 6.651 50 10 JKGE COc1cc(/C=C(\C#N)c2nc(-c3cccc([N+](=O)[O-])c3)cs2)ccc1OCc1ccc(C)cc1 1872782494 ILPVUEQVLVVPFQ-WSDLNYQXSA-N 483.549 6.679 50 10 JKGE CCc1cc(Br)c([C@H](Br)c2ccc(Br)c(OC)c2)s1 1876919877 ZQHLTWBKARNSAN-CYBMUJFWSA-N 469.036 6.328 50 10 JKGE CC(C)[C@H](CCl)N(Cc1ccccc1)Cc1ccc(Cl)cc1I 1901945608 CXSGHAFXZNJVJC-IBGZPJMESA-N 462.202 6.210 50 10 JKGE Cc1cc(C)c([C@H](Br)c2c(C)nsc2Br)c(C)c1Br 1912975825 QJWMRTDAQSZEBD-ZDUSSCGKSA-N 468.052 6.386 50 10 JKGE Brc1cc(Br)c([C@H](Br)c2ccc3c(c2)CCC3)s1 1922938267 CXOTXLWRXIHBJO-CYBMUJFWSA-N 451.021 6.246 50 10 JKGE Cc1ccc(F)cc1[C@@H](Br)c1sc(Br)c(C)c1Br 1922945719 JNEQVBPNYVLMMO-LLVKDONJSA-N 457.000 6.513 50 10 JKGE CCCCC[C@H](Br)c1c(Br)sc(Br)c1Br 1924577054 WJNWSQSUTTXFJB-LURJTMIESA-N 483.889 7.052 50 10 JKGE Cc1cc(F)cc([C@@H](Cl)c2c(Br)sc(Br)c2Br)c1 1924585714 PBUSAOTYACRIOC-SNVBAGLBSA-N 477.418 6.811 50 10 JKGE CC1(NC(=O)c2csc(Br)c2Br)CCC(Br)CC1 1924721267 HXMKQAWORXEZLI-UHFFFAOYSA-N 460.029 5.099 50 10 JKGE Cc1cc(Br)c(F)c([C@@H](Cl)c2c(Cl)sc(Br)c2Cl)c1 1925546819 CDKKKNUENSWJMJ-MRVPVSSYSA-N 467.412 7.356 50 10 JKGE Clc1sc(Br)c(Cl)c1[C@@H](Br)c1ccoc1Br 1925569341 SEIDIZLPARZSCX-YFKPBYRVSA-N 469.807 6.657 50 10 JKGE CC(C)(C)OC(=O)Nc1ccc(I)c(C(C)(C)CBr)c1 1951904561 GJPHWURQGFGTCD-UHFFFAOYSA-N 454.146 5.311 50 10 JKGE Brc1sc(Br)c([C@H](Br)[C@@H]2[C@H]3CCO[C@H]32)c1Br 1983249761 OQBOZLMJSDFPPC-QZNHMKJZSA-N 495.856 5.507 50 10 JKGE CCc1cc(Br)c([C@H](Br)c2cc(I)sn2)s1 1983292746 KYSRKZOXWDPXSL-SECBINFHSA-N 493.027 5.618 50 10 JKGE C[C@@]1([C@@H](Br)c2c(Br)sc(Br)c2Cl)CCCCO1 2021893500 LVMKDSUCCIFCGQ-KWQFWETISA-N 467.448 6.322 50 10 JKGE COc1cscc1[C@H](Br)c1cc(Br)c(C)cc1Br 2038687531 BMAMQDOFJXKNFR-CYBMUJFWSA-N 455.009 6.074 50 10 JKGE FC(F)(F)C1([C@H](Br)c2cc(Br)sc2Br)CCCC1 2052992895 IQORNVZQAMAUNK-MRVPVSSYSA-N 470.974 6.832 50 10 JKGE CC(C)[C@@H]1CCC[C@@H]1[C@H](Br)c1c(Br)sc(Br)c1Cl 2056450725 SZDWOQMWEXYBEQ-NRPADANISA-N 479.503 7.435 50 10 JKGE Cc1nn(C)c(Br)c1[C@@H](Cl)c1c(Cl)sc(Br)c1Cl 2065891435 ZAEGFNDYSIGYCS-ZCFIWIBFSA-N 453.414 5.950 50 10 JKGE FC(F)(F)[C@@H]1CCc2c(Br)cc(Br)cc2[C@H](Br)C1 2083318184 NLMRSWLVLQNYPT-LHLIQPBNSA-N 450.918 6.162 50 10 JKGE BrCC(CBr)(Cc1csc(Br)c1)C1CCOCC1 2084081261 VDFCTGACHWTMQR-UHFFFAOYSA-N 461.057 5.256 50 10 JKGE Cc1nc(C[C@H](Br)c2ccc(Br)cc2Br)sc1C 2085793645 WSDJUENPHYEDGL-LBPRGKRZSA-N 454.025 5.964 50 10 JKGE FC1(F)[C@H]2C[C@@H]([C@H](Br)c3cc(Br)ccc3Br)CC[C@H]21 2090801700 FBCLDUUGYMYHJG-RINBACNTSA-N 458.966 6.329 50 10 JKGE CCOc1ccc(Br)cc1[C@@H](Br)c1nc(C)sc1Br 2113185724 TVGAQNXPVKHPOZ-LLVKDONJSA-N 470.024 5.860 50 10 JKGE FC1(F)CN(Cc2cc(Br)ccc2Br)CC[C@H]1CBr 2118525039 PONQADWIWWBMPE-JTQLQIEISA-N 461.970 5.064 50 10 JKGE BrC[C@@H]1C[C@@H]2CC[C@H](C1)N2Cc1c(Br)cccc1Br 2128159378 MHCDYCGISANDMX-ZSBIGDGJSA-N 452.028 5.350 50 10 JKGE COc1cc(Cl)c([C@@H](Br)c2cnn(C)c2Br)cc1Br 2137646022 BYVDYBHUEUCOBX-LLVKDONJSA-N 473.390 5.091 50 10 JKGE CC[C@H](Br)[C@H]1CCCCN1Cc1ccc(I)c(Cl)c1 2142951196 XZZCAZJHDMXTAN-SWLSCSKDSA-N 456.593 5.473 50 10 JKGE Clc1ccc(I)c([C@@H](Cl)c2cc(Br)c3c(c2)CCO3)c1 2146620159 KAJDXZFTGRYXEN-AWEZNQCLSA-N 483.958 5.970 50 10 JKGE CC(C)(C)OC(=O)NCC[C@H](N(C[C@@H](CBr)C(C)(C)C)C1CC1)C(F)(F)F 2163063690 QXFMOUYFQGLVJG-HIFRSBDPSA-N 459.391 5.354 50 10 JKGE Cc1c([C@H](Cl)c2scc(C(F)(F)F)c2Br)nn(C)c1Br 2168216786 WUZGYMWWKJMZSR-ZETCQYMHSA-N 452.521 5.662 50 10 JKGE C[C@@H](CCn1c(CCCl)nc2cc(Cl)c(Br)cc21)N(C)Cc1ccccc1 2169014917 FKXAPWFLLMEFTH-HNNXBMFYSA-N 469.254 6.144 50 10 JKGE C[C@H]1[C@@H](C(F)(F)F)N(CC2(CBr)CCCCC2)CCN1C(=O)OC(C)(C)C 2172610240 UEWKWIUWEAJZFZ-GJZGRUSLSA-N 457.375 5.204 50 10 JKGE CCCCCc1ccc([C@H](Br)c2cc(Br)cc(Br)c2)s1 2197259341 VYWWLUMLJBZFOK-MRXNPFEDSA-N 481.091 7.490 50 10 JKGE Cc1c(Br)ccc([C@H](Br)c2cccc(C3CC3)c2)c1Br 2203686106 SHUZXXPWRYQZMN-QGZVFWFLSA-N 459.019 6.882 50 10 JKGE Cc1sc(Br)c(C)c1[C@@H](Cl)c1cc(Cl)ccc1I 2218805507 LIOJMCRHMMLNPG-LBPRGKRZSA-N 476.004 6.714 50 10 JKGE Cc1c(Br)csc1[C@H](Br)[C@H](C)c1ccncc1Br 2219005190 KTMCPNNEFCJZMX-JMCQJSRRSA-N 454.025 6.216 50 10 JKGE Fc1cc(Br)c(Br)cc1[C@H](Br)[C@@H]1CC[C@H]2[C@H]1C2(F)F 2225618631 YYCPBWVOSDOIDX-ZSHBORDSSA-N 462.929 6.078 50 10 JKGE Fc1cc(F)c([C@H](Br)c2ccc(OCc3ccccc3)cc2)c(F)c1Br 2227805308 SSCKCOIWEIXMEA-GOSISDBHSA-N 486.125 6.930 50 10 JKGE Fc1ccc([C@H](Br)c2c(F)cc(F)c(Br)c2F)cc1Br 2236105984 BTANGPCJBUIFGI-NSHDSACASA-N 476.887 6.252 50 10 JKGE CCOc1cc(Cl)c([C@H](Br)c2sc(C)cc2Br)cc1Cl 2237633982 SFCGQDNYVBPMQH-ZDUSSCGKSA-N 459.030 7.009 50 10 JKGE Cc1nn(C)c([C@@H](Br)c2sc(C)c(C)c2Br)c1Br 2253506514 YGESWHIYKBYETQ-SNVBAGLBSA-N 457.029 5.416 50 10 JKGE CCCCCCOc1ccc(OCCOc2ccc(C=C(C#N)c3ccc([N+](=O)[O-])cc3)cc2)cc1 2293631482 YKHKJVYGGJNKSN-UHFFFAOYSA-N 486.568 7.076 50 10 JKGE COc1cccc(NC(=O)C(C#N)=Cc2cc(Cl)c(OCc3ccc(C(=O)O)cc3)c(Cl)c2)c1 2294146918 BXTGRVJXSIKUJI-UHFFFAOYSA-N 497.334 5.825 50 10 JKGE CCOC(=O)c1c(-n2c(C)cc(C=C(C#N)C(=O)Nc3cccc(C)c3)c2C)sc2c1CCCC2 2294193329 FPKJEJUBOVPUSP-UHFFFAOYSA-N 487.625 6.065 50 10 JKGE N#CC(=Cc1ccc(OCc2ccccc2F)c(Br)c1)c1ccc([N+](=O)[O-])cc1 2294229406 RAGXZLBSPWTPGX-UHFFFAOYSA-N 453.267 6.140 50 10 JKGE CC(C=CC=C(C)C=CC1=C(C)[C@@H](OC(=O)CCCC[C@H]2CCSS2)CCC1(C)C)=CC=O 2294818750 SEJCKAPVVGUQFE-AHWVRZQESA-N 488.759 7.953 50 10 JKGE COCc1ccccc1[C@H](Br)Cc1cc(Br)cc(Br)c1 2295330438 VRJOKFVUZHYUBT-MRXNPFEDSA-N 463.007 6.037 50 10 JKGE Cc1ccccc1NC(=O)C(C#N)=C1S[C@@H](Cc2ccc(F)cc2)C(=O)N1c1ccccc1 2296507244 ZMEZSCFCYVUKLR-QHCPKHFHSA-N 457.530 5.199 50 10 JKGE N#CC(=Cc1ccc(-c2ccc([N+](=O)[O-])cc2Cl)o1)c1nc(-c2ccc(Cl)cc2)cs1 2296819212 YEEOUURWJHQCQG-UHFFFAOYSA-N 468.321 7.349 50 10 JKGE Brc1ccc(OCc2ccccc2)c([C@H](Br)[C@]23CCOC[C@@H]2C3)c1 2299493433 GNJOXPPOKCCCKV-YSSFQJQWSA-N 452.186 5.891 50 10 JKGE CCOc1cc(C=C(C#N)c2ccc([N+](=O)[O-])cc2)cc(Cl)c1OCc1ccccc1F 2313540951 FRIAAGMJDUCHNR-UHFFFAOYSA-N 452.869 6.429 50 10 JKGE Cc1ccc(NC(=O)C(C#N)=Cc2cc(Br)ccc2OCc2ccc(C(=O)O)cc2)cc1 2313571148 OLFILIZOQFBCIO-UHFFFAOYSA-N 491.341 5.580 50 10 JKGE Brc1cc(OCc2ccccc2)ccc1[C@@H](Br)[C@@H]1C[C@@H]2CC[C@H](C1)O2 2314442858 DIMRADRQLCFGER-DKXUYOFUSA-N 466.213 6.422 50 10 JKGE CCc1occ(C)c1[C@H](Br)c1ccc(OCc2ccccc2)cc1Br 2314460021 MPXGTVXSOPDEBD-OAQYLSRUSA-N 464.197 6.976 50 10 JKGE CS(=O)(=O)C1([C@H](Br)c2ccc(OCc3ccccc3)cc2Br)CCC1 2314499894 IDSLVVAIISFBJH-GOSISDBHSA-N 488.241 5.431 50 10 JKGE CCc1ccc(N2C(=O)[C@H](Cc3ccccc3)SC2=C(C#N)C(=O)Nc2ccccc2)cc1 2314593800 TYMQDCIMMJKTKP-DEOSSOPVSA-N 453.567 5.314 50 10 JKGE CC1=C(C#N)C(=O)N([C@H](C)c2ccccc2)C(=O)C1=Cc1ccc(-c2cccc(Cl)c2Cl)o1 2314619087 ZOGCHBFEPNXSDJ-MRXNPFEDSA-N 477.347 6.607 50 10 JKGE COc1cc(C=C(C#N)C(=O)NCc2ccccc2)ccc1OC(=O)COc1ccc(C(C)C)c(C)c1 2314736993 FUNIBZQSPWPLHR-UHFFFAOYSA-N 498.579 5.335 50 10 JKGE Cc1scc([C@H](Br)[C@H](C)c2ccncc2Br)c1Br 2320423430 KJWSZWMDWCHRHE-JMCQJSRRSA-N 454.025 6.216 50 10 JKGE Cc1ccc(CCCC(=O)NN=Cc2c(C(C)C)nc3c(Cl)cc(C(F)(F)F)cn23)c(C)c1 2321254665 IFOCJEKOUJCCBA-UHFFFAOYSA-N 478.946 6.220 50 10 JKGE CCCCOc1c(OC)cc(C=NNC(=O)C23CC4C[C@](C)(C2)C[C@@](C)(C4)C3)cc1[N+](=O)[O-] 2323138642 YLIHCHLFUJCZDE-VJMWJIOOSA-N 457.571 5.229 50 10 JKGE CC(C)Oc1c(Cl)cc(C=NNC(=O)c2ccc3[nH]c4c(c3c2)C[C@@H](C)CC4)cc1Cl 2323168708 UZXRPONEYNBQKT-AWEZNQCLSA-N 458.389 6.151 50 10 JKGE Cc1c(OCc2cccc(CCl)c2)ccc2c1OC(=Cc1cc(Cl)cc3c1OCOC3)C2=O 2325363419 SBGZWXWRYUTMRB-UHFFFAOYSA-N 483.347 6.449 50 10 JKGE CCOc1ccc(CCC(O)=C(C#N)c2nc(-c3ccc(OC)c(OC)c3)cs2)cc1OC 2331242693 BHSFSQCEEJTQQY-UHFFFAOYSA-N 466.559 5.660 50 10 JKGE Cc1ccc(COc2ccc(C=C(C#N)c3nc(-c4cccc(Br)c4)cs3)cc2)cc1 2331431961 IJORLIUWKHPDAZ-UHFFFAOYSA-N 487.422 7.524 50 10 JKGE COc1cc(C=C(C#N)c2nc(-c3ccc(F)cc3F)cs2)ccc1OCc1ccc(Cl)cc1 2331436292 NUCAGBLHBBNHIT-UHFFFAOYSA-N 494.950 7.393 50 10 JKGE CCCOc1c(Br)cc(C=C(C#N)c2nc(-c3ccc(Cl)s3)cs2)cc1OC 2331485107 RFRUODLQFBNSBG-UHFFFAOYSA-N 495.851 7.149 50 10 JKGE COc1ccc(Cl)cc1-c1csc(C(C#N)=Cc2ccccc2OCc2ccccc2Cl)n1 2331491908 WEKJCJQQGOIQDF-UHFFFAOYSA-N 493.415 7.769 50 10 JKGE CCCCCCCCC[C@H](Br)c1cc(Br)ccc1OCc1ccccc1 2336046996 ISHWXFFEAOTIMC-QFIPXVFZSA-N 482.300 8.605 50 10 JKGE CC[C@H]([C@H](Br)c1c(Cl)cc(Br)c(F)c1Br)C(C)(F)F 2337085178 UZTCYQVXKLVHFX-ANLVUFKYSA-N 487.379 7.122 50 10 JKGE CCCOC1([C@H](Br)c2c(Cl)cc(Br)c(F)c2Br)CC1 2337099150 UYHIFOGHJIITNB-GFCCVEGCSA-N 479.409 6.399 50 10 JKGE CC(C)(CCCl)c1nnc(-c2ccc(Br)cc2I)o1 2337163647 JDUWNVYCYOUVRF-UHFFFAOYSA-N 455.521 5.010 50 10 JKGE COc1c(Br)cc(C)c([C@@H](Br)c2occc2C)c1Br 2339690308 SXHVLGQKTGEJOL-LLVKDONJSA-N 452.968 5.914 50 10 JKGE Clc1ccc(I)cc1C[C@@]1(CBr)CCO[C@H]1C1CC1 2352371275 YCCQIKPXVZIHRK-LSDHHAIUSA-N 455.561 5.067 50 10 JKGE Fc1cc(Cl)c(Br)c(Cl)c1[C@H](Br)[C@@H]1CCCCC1(F)F 2360424509 SXDALFKPBFXITI-QUBYGPBYSA-N 454.939 7.157 50 10 JKGE Fc1cc(Cl)c(Br)c(Cl)c1[C@H](Br)C[C@H]1C[C@H]1C(F)(F)F 2360426285 KHWJKDXRMWGEQL-HSUXUTPPSA-N 458.902 6.920 50 10 JKGE O=S1(=O)CCC([C@@H](Cl)c2c(Cl)cc(Br)c(F)c2Br)CC1 2362234682 IAODNIMXSWOJHP-LLVKDONJSA-N 468.997 5.109 50 10 JKGE COc1c(Br)cc(C)c([C@H](Br)c2ccccc2F)c1Br 2365189447 VDDIOOKXJVHKJW-CYBMUJFWSA-N 466.970 6.152 50 10 JKGE CCC1(C)CC([C@H](Br)c2c(C)cc(Br)c(OC)c2Br)C1 2365214705 CVXBYPCWKNXVCZ-QCIACWGRSA-N 469.055 6.791 50 10 JKGE Clc1ccc([C@H](CBr)OCc2ccc(Cl)cc2I)cc1 2365644326 CJZRGWMNCRVYPV-HNNXBMFYSA-N 485.974 6.251 50 10 JKGE CCOC(=O)c1c(NC(=O)/C(C#N)=C\c2cn(Cc3ccccc3)c3ccccc23)sc(C)c1C 35106990 IRLPBHPBYZWQOT-STZFKDTASA-N 483.593 6.090 50 10 JKGE CCCSc1ccc(-c2nn(-c3ccccc3)cc2/C=C(/C#N)C(=O)Nc2ccc(C)cc2)cc1 35445876 NPHCXJBSHNRHJN-NKFKGCMQSA-N 478.621 6.896 50 10 JKGE CCCCCCN1C(=O)C(C#N)=C(C)/C(=C\c2ccc(OCc3ccc(Cl)cc3)c(OC)c2)C1=O 38604217 NQRALFBLUKSGHL-HZHRSRAPSA-N 493.003 6.100 50 10 JKGE Cc1cccc(C)c1OCC(=O)Oc1ccc2c(c1)OC(N)=C(C#N)[C@@H]2c1ccccc1Cl 38651029 QWIYSNIQMAEURH-XMMPIXPASA-N 460.917 5.159 50 10 JKGE COc1ccccc1[C@H]1C(C#N)=C(N)Oc2cc(OC(=O)c3oc4ccc(F)cc4c3C)ccc21 38687269 SGLRAYQYRZDLAE-XMMPIXPASA-N 470.456 5.326 50 10 JKGE CCOc1ccccc1[C@H]1C(C#N)=C(N)Oc2cc(OC(=O)c3oc4cc(C)ccc4c3C)ccc21 38687440 ACFNHTYOCYJPLB-AREMUKBSSA-N 480.520 5.886 50 10 JKGE CCCOc1ccc(C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@H]3c2c(Cl)cccc2Cl)cc1 40529639 RGZPXOAZGGKHDR-QHCPKHFHSA-N 495.362 6.220 50 10 JKGE COc1cc(/C=N\NC(=O)CC[C@@H](O)c2ccccc2)cc(Cl)c1OCc1ccc(F)cc1 58889858 WQBQOEWBAZYZQB-HSMHNTNPSA-N 470.928 5.031 50 10 JKGE CCOc1ccc([C@H](O)CCC(=O)N/N=C\c2ccccc2OCc2cccc3ccccc23)cc1 58895522 MWIMFEDZBCQHSR-JGFAXXQYSA-N 482.580 5.781 50 10 JKGE N#C/C(=C\c1ccc(OCc2ccccc2C#N)c(Br)c1)C(=O)NC1CCCCC1 59433037 WTAYRFVWKLPYQR-UDWIEESQSA-N 464.363 5.256 50 10 JKGE COc1cc(/C=C(/C#N)C(=O)Nc2ccccc2)cc(Br)c1OCc1ccc(C#N)cc1 96663576 PMBKDEAQPFLMAR-JAIQZWGSSA-N 488.341 5.454 50 10 JKGE CCCCCCCCCC/N=C\c1cc([N+](=O)[O-])ccc1OC(=O)c1ccccc1C(=O)O 103990104 RMGCPMDIKUVGHV-ITYLOYPMSA-N 454.523 6.072 50 10 JKGE N#C/C(=C(\Nc1ccc(F)cc1)SCC(=O)NC1CCCCCCC1)c1nc2ccccc2s1 105838152 KFOVNEABLOGEPS-DAFNUICNSA-N 494.661 6.702 50 10 JKGE COc1cccc(C[C@@H](Br)c2cc(Br)sc2Br)c1 109870103 CZAUOERXSCJJOK-LLVKDONJSA-N 455.009 5.960 50 10 JKGE Cc1cc(Br)c([C@H](Br)c2ccc(S(C)(=O)=O)cc2)cc1Br 128738749 RIEVPEHVICVYER-OAHLLOKOSA-N 497.046 5.408 50 10 JKGE Fc1cc2nc(CCCl)n(-c3cccc(I)c3)c2cc1Br 158511515 JSJMRMQHPYSKON-UHFFFAOYSA-N 479.518 5.313 50 10 JKGE CCOc1ccc(/C=N\NC(=O)c2ccc3[nH]c4c(c3c2)C[C@H](C)CC4)cc1Br 169891342 FDAOVLRUIOKOMW-VLKICEKPSA-N 454.368 5.218 50 10 JKGE CC(C)(C)[Si](OCc1ccc2c(c1)C(=O)c1ccccc1C2=O)(c1ccccc1)c1ccccc1 195844273 LIZNRMCBYXGARH-UHFFFAOYSA-N 476.648 5.539 50 10 JKGE Cc1ccc([C@@H](Br)c2cc(Br)c(Cl)s2)cc1Br 227849178 DISFUDRRIVCTOE-LLVKDONJSA-N 459.428 6.719 50 10 JKGE Fc1ccc(C[C@@H](Br)c2ccc(Br)cc2Br)cc1F 236153879 QFVRDZGVXNTAEY-LLVKDONJSA-N 454.934 6.169 50 10 JKGE Cc1ccc(N=Cc2cc3c(cc2O)OC(N)=C(C#N)[C@H]3c2ccc(Br)cc2)c(C)c1 252594887 BWVHIWDYFZKWCG-DEOSSOPVSA-N 474.358 5.740 50 10 JKGE CC(C)(C)CC(C)(C)c1ccc(OCC(=O)NN=Cc2ccc(OCc3ccccc3)cc2)cc1 254453310 YTKABUCMSGDMTO-UHFFFAOYSA-N 472.629 6.509 50 10 JKGE C[C@@H](Cl)C[C@H]1CCCCN1C(=O)c1cc(I)ccc1Br 312954768 LNLYBEJTWGNZEG-ZYHUDNBSSA-N 470.576 5.066 50 10 JKGE O=C1Cc2cc([C@@H](Br)c3cc(Cl)sc3Cl)c(Br)cc2N1 383456370 BXIOYXVNXBZQBO-GFCCVEGCSA-N 455.986 5.796 50 10 JKGE Cc1cc(C)c([C@H](Br)c2cccc(Br)c2F)c(C)c1Br 383512845 FRSSMRWIEXWERV-OAHLLOKOSA-N 464.998 6.760 50 10 JKGE Clc1cc2c(cc1[C@H](Br)c1sccc1I)OCCO2 388631646 VSRUWMLIDBDKRM-LBPRGKRZSA-N 471.541 5.262 50 10 JKGE Fc1cc(Br)c([C@H](Br)c2csc(Br)c2)c(F)c1F 398480157 UDDSQLUJHOSMQA-SECBINFHSA-N 464.926 6.175 50 10 JKGE C[C@H]1CN(c2cc(Br)ccc2CBr)[C@H](C)[C@H](C)N1Cc1ccccc1 404271408 KXIPKIMWQXVVHT-YESZJQIVSA-N 466.261 5.832 50 10 JKGE C[C@@H](Br)[C@H]1CCCCN1C(=O)c1cc(Br)sc1Br 688851034 IREUPXUXSHLXJI-VXNVDRBHSA-N 460.029 5.051 50 10 JKGE Clc1scnc1CC(CBr)(CBr)c1ccccc1Br 711640038 KUIORKZSOPIDHE-UHFFFAOYSA-N 488.470 5.829 50 10 JKGE Fc1cccc(Cl)c1C[C@@H](Cl)c1ccc(I)c(Br)c1 721573798 SJBMHUOKJJMNRJ-GFCCVEGCSA-N 473.938 6.369 50 10 JKGE O=C(CCCOc1ccc(Cl)cc1Cl)NN=Cc1ccccc1OCc1ccccc1 1084016047 SVRQPTFOQGHTLW-UHFFFAOYSA-N 457.357 5.882 50 10 JKGE COc1ccc(C(C)=NNC(=O)c2ccc(NC(=O)c3ccc(C(C)(C)C)cc3)cc2)c(OC)c1 1084020649 KGJJQSHBUCNCMM-UHFFFAOYSA-N 473.573 5.408 50 10 JKGE CCOc1cc(/C=C(/C#N)C(=O)Nc2cccc(C(F)(F)F)c2)ccc1OCc1ccc(F)cc1 1084120431 YHTBFZLLVPONQX-UNOMPAQXSA-N 484.449 6.368 50 10 JKGE C[C@]12CC[C@@H]3c4ccc(O)cc4CC[C@H]3[C@@H]1CCC2=NNC(=O)C(O)(c1ccccc1)c1ccccc1 1084320328 MYCPNYBYHGFOKA-IEVQEWPMSA-N 494.635 5.657 50 10 JKGE O=C(NN=Cc1cccc(OCc2ccc(F)cc2)c1)c1ccc(OCc2ccccc2)cc1 1084551086 LDQGPNAOYPBYGG-UHFFFAOYSA-N 454.501 5.748 50 10 JKGE C=CCc1cc(/C=C(\C#N)C(=O)Nc2ccc(C)cc2)ccc1OCc1ccc2c(c1)OCO2 1084575118 PUEFWOYHZVIZAH-OEAKJJBVSA-N 452.510 5.577 50 10 JKGE CC1=C(C#N)C(=O)N([C@@H](C)c2ccccc2)C(=O)/C1=C/Nc1ccc(N=Nc2ccccc2)cc1 1772742781 WLTUGLLINNVMEC-LJAYRPDDSA-N 461.525 6.368 50 10 JKGE COc1ccc(C)cc1NC(=O)c1oc2c(c1C)C(=NNC(=O)c1ccc(Cl)cc1)CCC2 1772743706 JQRZTYOYJJQHGH-UHFFFAOYSA-N 465.937 5.281 50 10 JKGE Cc1c(C(=O)N2c3ccccc3C[C@H]2C)oc2c1C(=NNC(=O)c1ccc(Cl)cc1Cl)CCC2 1772747119 DZVRGZXVCFULQC-CQSZACIVSA-N 496.394 5.957 50 10 JKGE Cc1c(C(=O)Nc2nccs2)oc2c1C(=NNC(=O)C(c1ccccc1)c1ccccc1)CCC2 1772749314 TWEBCFXXEQNBAM-UHFFFAOYSA-N 484.581 5.286 50 10 JKGE O=C(NNC(=O)C(c1ccccc1)c1ccccc1)c1ccc(-c2ccc3ccccc3c2)s1 1860391458 HZZBMEKQZBNQSN-UHFFFAOYSA-N 462.574 6.161 50 10 JKGE CCCc1nn(Cc2ccc(Cl)cc2)c2c1[C@H](c1ccc(C(C)(C)C)cc1)C(C#N)=C(N)O2 1865682348 MQRAASNPMXUXJQ-HSZRJFAPSA-N 461.009 6.053 50 10 JKGE CCc1nn(-c2ccc(Br)cc2)c2c1[C@H](c1cccc(Cl)c1)C(C#N)=C(N)O2 1865683210 AGLYHHDJTOBTPQ-GOSISDBHSA-N 455.743 5.069 50 10 JKGE CCCc1nn(-c2ccc(Cl)cc2)c2c1[C@H](c1ccc(OCc3ccccc3)cc1)C(C#N)=C(N)O2 1865690676 YQATWOLOWGDHEN-AREMUKBSSA-N 496.998 6.275 50 10 JKGE CCCOc1ccc([C@@H]2C(C#N)=C(N)Oc3c2c(-c2ccccc2)nn3CC(C)C)cc1OCC 1865691617 WPJBBFHKNIGUJS-XMMPIXPASA-N 472.589 5.612 50 10 JKGE N#CC1=C(N)Oc2c(c(-c3ccccc3)nn2-c2cccc3ccccc23)[C@@H]1c1ccc(C(=O)O)cc1 1865708672 CIJDJJIGCGYNAU-RUZDIDTESA-N 484.515 5.609 50 10 JKGE CCc1ccc([C@@H]2C(C#N)=C(N)Oc3c2c(-c2ccc(OC)cc2)nn3Cc2ccc(Cl)cc2)cc1 1865708698 CXSSMOJWQGZDGP-RUZDIDTESA-N 496.998 6.041 50 10 JKGE CCCc1nn(Cc2ccc(Cl)c(Cl)c2)c2c1[C@@H](c1cccc(C)c1)C(C#N)=C(N)O2 1865711244 UAGQICKAZFFSPN-NRFANRHFSA-N 453.373 5.717 50 10 JKGE CC[C@@](C)(NC(=O)C[C@@H](c1ccc(C(C)C)cc1)C(C)C)C(=O)Nc1ccc(SC#N)cc1 1866744187 FZXKELWBFQHWRG-SHQCIBLASA-N 465.663 6.436 50 10 JKGE CCCC[C@H](NC(=O)[C@H](c1ccc(Cl)cc1)C1CC1)C(=O)Nc1ccc(SC#N)cc1 1867002491 SKHSJBHFYCWLNQ-VXKWHMMOSA-N 456.011 5.720 50 10 JKGE Cc1ccc(-c2csc(/C(C#N)=C(\O)[C@H](Cc3ccccc3)N3C(=O)c4ccccc4C3=O)n2)cc1 1872749186 GJDFXLOCENLNIM-RITGCEONSA-N 491.572 5.819 50 10 JKGE CCOc1cc(/C(O)=C(\C#N)c2nc(-c3ccc4c(c3)OCCO4)cs2)cc(OCC)c1OCC 1872750399 DGWUCQCAMJNZLL-MOHJPFBDSA-N 494.569 5.727 50 10 JKGE COc1cc(C)c(-c2csc(/C(C#N)=C(\O)c3ccccc3C(=O)c3ccccc3)n2)cc1C(C)C 1872753717 JSPHBQRUUJRISB-GNVQSUKOSA-N 494.616 7.431 50 10 JKGE COc1c(C)cc(C)cc1-c1csc(/C(C#N)=C(\O)[C@H]2CC(=O)N([C@@H](C)c3ccccc3)C2)n1 1872755030 VLDFTJBMZYRZIN-LLWXYPGTSA-N 473.598 5.838 50 10 JKGE CCCOc1ccc(C/C(O)=C(\C#N)c2nc(-c3cc(Cl)c(OC)cc3OC)cs2)cc1 1872756701 WGTBLZBJBIMBBP-UZYVYHOESA-N 470.978 6.305 50 10 JKGE COc1ccc(/C=C/C(O)=C(\C#N)c2nc(-c3ccc(OC)c(OC)c3OC)cs2)c(OC)c1 1872759067 CHBMIHIGWYFEMX-PECCUKLLSA-N 480.542 5.359 50 10 JKGE COc1cc(/C=C(\C#N)c2nc(-c3c(C)c(C)cc(C)c3C)cs2)cc(Br)c1O 1872792534 DWXYWRQWHPGPGS-REZTVBANSA-N 469.404 6.585 50 10 JKGE Clc1cc(I)c([C@@H](Br)C2(Br)CC2)s1 1888213435 GNTZMVGSNQJMRP-SSDOTTSWSA-N 456.368 5.370 50 10 JKGE CC[C@H](Br)CN(Cc1ccccc1)S(=O)(=O)c1c(C)sc(C)c1Br 1915082275 JWOSWANBSOYANL-HNNXBMFYSA-N 495.302 5.492 50 10 JKGE Cc1sc(Br)cc1C(=O)N(Cc1ccccc1)[C@H](CBr)C1CC1 1915264948 ULOVGCNNGYVPFA-MRXNPFEDSA-N 457.231 5.635 50 10 JKGE CC(C)[C@H](CBr)N(Cc1ccccc1)C(=O)c1ccccc1I 1915289768 WTMMECXUFUJGKY-SFHVURJKSA-N 486.191 5.353 50 10 JKGE O=C(NCC1CCC(CBr)CC1)c1cc(Br)ccc1Br 1922689162 FIRMUANYISYBFM-UHFFFAOYSA-N 468.027 5.143 50 10 JKGE Fc1c(F)c(F)c([C@@H](Cl)c2sc(Br)cc2Br)c(F)c1F 1922887555 TXURZGISUNHIGW-RXMQYKEDSA-N 456.455 6.297 50 10 JKGE CC[C@]1([C@@H](Br)c2c(Br)sc(Br)c2Cl)CC1(F)F 1923075096 WREPFHLGZOMPLA-IMTBSYHQSA-N 473.402 6.798 50 10 JKGE CC1(C)CC([C@@H](Cl)c2c(Br)sc(Br)c2Br)C1 1924614015 VQOOJLPHXHVTDP-MRVPVSSYSA-N 451.449 6.752 50 10 JKGE FC1(F)[C@@H]([C@H](Br)c2c(Cl)sc(Br)c2Cl)C12CCCC2 1925567541 VZOHSDYSLWFOKW-SVRRBLITSA-N 454.989 7.079 50 10 JKGE Cl[C@H](c1cc(Br)c(Br)s1)c1cscc1OCc1ccccc1 1934840589 YDVLOELFWVXMFS-HNNXBMFYSA-N 478.658 7.242 50 10 JKGE CC(C)(C)OC(=O)NCCCN(Cc1ccccc1)C(=O)c1ccc(CBr)cc1 1959541851 HLVJABNXMPWJSO-UHFFFAOYSA-N 461.400 5.139 50 10 JKGE C[C@]1([C@H](Br)c2c(Br)sc(Br)c2Cl)CCCCO1 2021893501 LVMKDSUCCIFCGQ-LDYMZIIASA-N 467.448 6.322 50 10 JKGE Brc1csc([C@H](Br)c2cc3sccc3s2)c1Br 2025261526 NGLKCIMSXXTHKY-SNVBAGLBSA-N 473.074 7.034 50 10 JKGE COc1ccc([C@@H](Cl)c2csc(Br)c2Br)c(Br)c1 2032958565 HGDXDLCMIFZSDU-LLVKDONJSA-N 475.427 6.372 50 10 JKGE Fc1cc(Br)cc(CBr)c1OCc1cnsc1Br 2055664087 OHOJXXICZKUSCG-UHFFFAOYSA-N 459.960 5.281 50 10 JKGE Cc1cc([C@H](Cl)c2ccc(Br)c(C)c2Br)sc1Br 2083317130 CQNIZFZSXLMMPU-GFCCVEGCSA-N 473.455 6.981 50 10 JKGE Cc1c(Br)ccc([C@H](Br)c2cc(Cl)c(Cl)s2)c1Br 2083331905 DQXXFIGAMVCHMT-NSHDSACASA-N 493.873 7.373 50 10 JKGE CC(C)(C)OC(=O)N1CCC[C@@](CI)(O[C@@H]2CCCC(F)(F)CC2)C1 2085963618 PTDUJIFKPYWFRN-PBHICJAKSA-N 473.342 5.176 50 10 JKGE CC1(C)CCN(C(=O)c2cc(Br)sc2Br)C[C@@H]1CBr 2092240457 ODBSEMHAAPNJLZ-QMMMGPOBSA-N 474.056 5.156 50 10 JKGE CCc1nn(-c2ccc(CBr)c(Br)c2)c(CC)c1I 2093915597 LGVPWGYWYSNLRH-UHFFFAOYSA-N 498.000 5.259 50 10 JKGE CC[C@@H](Br)[C@H]1CCCCN1Cc1ccc(Br)cc1Br 2114190484 UFPXKFZELONXOL-UKRRQHHQSA-N 454.044 5.740 50 10 JKGE CN(Cc1c(Br)cccc1Br)[C@@H]1CCCCC[C@H]1Br 2115915202 PYSHJOIMQCPKIF-HUUCEWRRSA-N 454.044 5.740 50 10 JKGE Clc1ccc(I)c(CN2CC[C@H](CBr)C23CCC3)c1 2133829218 ZNDMJPZABHLSRH-GFCCVEGCSA-N 454.577 5.084 50 10 JKGE Cc1cc(Cl)c(Br)cc1[C@@H](Cl)c1cc(Br)ccc1Br 2137653678 FTBAZPIKXKNWLU-CQSZACIVSA-N 487.844 7.264 50 10 JKGE Cc1cc(Cl)c(Br)cc1[C@@H](Cl)c1ccc(I)c(Cl)c1 2137656596 QAQFCNILSCWPJQ-AWEZNQCLSA-N 490.393 6.997 50 10 JKGE Cc1c(Br)ccc([C@H](Br)[C@@H]2CCCC23CCC3)c1Br 2138875727 IPSDXXZJDHETQH-WFASDCNBSA-N 451.040 6.926 50 10 JKGE COc1cc(Br)c(C)cc1[C@H](Cl)c1cc(Cl)ccc1I 2145954263 CKPFKYXGKJLMEF-OAHLLOKOSA-N 485.974 6.352 50 10 JKGE Fc1cc(Br)ccc1C[C@@H](Br)c1cc(C2CC2)c(Br)s1 2151036682 OALRCFPAJZGYDV-GFCCVEGCSA-N 483.038 6.968 50 10 JKGE COc1ccc([C@H](Br)c2cc(Br)c(Cl)cc2F)cc1Br 2154119647 DPJSRTDIEDUBKX-AWEZNQCLSA-N 487.388 6.497 50 10 JKGE C[C@H](Cl)c1nc2cc(Br)c(Cl)cc2n1[C@H]1CCN(Cc2ccccc2)[C@@H]1C 2160085215 ZSJMBTBRHOUWCO-KSMMKXTCSA-N 467.238 6.588 50 10 JKGE FC(F)(F)c1cc(Br)cc([C@@H](Cl)c2cc(Cl)c(Br)s2)c1 2172412219 LIJUDGOYBPPUFA-SNVBAGLBSA-N 468.947 7.274 50 10 JKGE CC(C)(C)[C@@H]1[C@@H](Br)CCN1C(=O)c1cccc(Br)c1Br 2185106852 BCWDZWREJBOVAC-AAEUAGOBSA-N 468.027 5.236 50 10 JKGE COc1cc([C@@H](Br)c2cc(C)c(Br)cc2C)ccc1Br 2192151236 LZEDNKXQRJHMTC-MRXNPFEDSA-N 463.007 6.321 50 10 JKGE CCCCCc1ccc([C@@H](Br)c2c(Br)cccc2Br)s1 2197249457 RGKYNJMHWQYUON-MRXNPFEDSA-N 481.091 7.490 50 10 JKGE Cc1cc(Br)c(C)c([C@H](Br)C23CCCC2CCC3)c1Br 2201076384 YGRVFUIXCKFSEK-PDOTXMHQSA-N 465.067 7.235 50 10 JKGE CCn1cc([C@@H](Br)c2c(Br)cc(F)c(Cl)c2F)nc1Br 2201609232 VUQGEAPEQJPGSJ-SECBINFHSA-N 493.371 5.844 50 10 JKGE Cc1sc(C(=O)N(Cc2ccccc2)[C@@H](CBr)C(C)C)cc1Br 2210614224 NQGJXDFYYWSRCP-INIZCTEOSA-N 459.247 5.881 50 10 JKGE CC(C)(C)OC(=O)NCc1ccc2c(c1)CCCN2CCCCCI 2220217502 WMDILDKXRIUEEB-UHFFFAOYSA-N 458.384 5.069 50 10 JKGE Fc1cc(Br)c(Br)cc1[C@H](Br)C[C@@H]1CCC[C@H]2C[C@@H]21 2225619993 PMBUCYILNOOUPM-QFOLPQNPSA-N 455.003 6.613 50 10 JKGE C[C@H]1CCC[C@@H](COc2c(Br)cc(Br)cc2CBr)O1 2226841256 TZGDXFJGUJULOM-CABZTGNLSA-N 457.000 5.443 50 10 JKGE CC[C@H]1CC[C@H]([C@H](Br)c2c(Br)cc(Cl)c(Cl)c2Cl)CC1 2232510701 HVKNOQOYKQUBAA-RVBZMBCESA-N 463.468 8.062 50 10 JKGE CC[C@@H](C[C@@H](Br)c1c(Br)cc(C)c(Br)c1C)C(C)(C)C 2235609930 DCOUQVLXLGZKMH-GXTWGEPZSA-N 469.099 7.727 50 10 JKGE CCc1cc([C@@H](Cl)Cc2ccccc2I)sc1Br 2255981189 WQYBJMJXAHPGKD-NSHDSACASA-N 455.586 6.200 50 10 JKGE Fc1cc(Br)c(F)c(Br)c1[C@H](Br)C1[C@@H]2CCCC[C@@H]12 2272849859 NMLLHZZRARQZOB-NQYJQULFSA-N 458.966 6.362 50 10 JKGE Cc1cc(Cl)c(Br)cc1[C@H](Br)c1cc(F)c(Br)cc1F 2282089861 GZRZRBMSDGNWPJ-AWEZNQCLSA-N 489.379 6.936 50 10 JKGE COc1ccc([C@@H](Cl)c2ccc(Br)cc2OC)cc1I 2285011277 SZJPONNBQCUXTO-OAHLLOKOSA-N 467.528 5.399 50 10 JKGE Cc1cc(F)c(Br)cc1[C@H](Br)c1ccc(F)c(Br)c1F 2285983871 MBRXOIXVUSXWPR-GFCCVEGCSA-N 472.924 6.422 50 10 JKGE Cc1c(F)cccc1[C@@H](Br)c1c(F)cc(Br)c(F)c1Br 2288345647 FETMAMQRKHRICB-GFCCVEGCSA-N 472.924 6.422 50 10 JKGE COc1c(Br)cc([C@@H](Br)c2sccc2Br)c(OC)c1C 2295432774 LWWRDSMPSWZEAA-LLVKDONJSA-N 485.035 6.083 50 10 JKGE CCOC(=O)c1c(NC=C(C#N)c2nc(-c3cccs3)cs2)sc2c1CC[C@@H](C(C)(C)C)C2 2296790125 PYTWTARSTCUOFC-MRXNPFEDSA-N 497.711 7.237 50 10 JKGE CCOC(=O)c1c(-c2ccc(OC)cc2)csc1NC(=O)C(C#N)=Cc1ccccc1OC(C)C 2296818958 FWTPQQDEUAQERC-UHFFFAOYSA-N 490.581 5.933 50 10 JKGE COc1c(Br)cc(C=C(C#N)c2nc3ccccc3[nH]2)c(OC)c1Br 2297306768 LKVVBCQMZLRHIS-UHFFFAOYSA-N 463.129 5.169 50 10 JKGE Cc1cccc(C)c1NC(SCc1ccccc1Cl)=C(C#N)S(=O)(=O)c1ccccc1 2297350017 MGESNIIYIJPVOL-UHFFFAOYSA-N 469.031 6.469 50 10 JKGE C[C@]1([C@H](Br)c2ccc(OCc3ccccc3)cc2Br)COCCO1 2299491271 DLQHGVNYKWHXSU-RTBURBONSA-N 456.174 5.270 50 10 JKGE Cc1cc([C@@H](Br)c2c(Br)c(Br)nn2C)sc1Cl 2301044049 LSCXMYGUDYSHBT-ZCFIWIBFSA-N 463.420 5.453 50 10 JKGE Cl[C@H](c1c(Br)sc(Br)c1Br)[C@H]1CC[C@@H]2C[C@H]1CO2 2312742195 MNWPGIUECVYAKZ-XIVUIJJLSA-N 479.459 6.131 50 10 JKGE C=CCOc1c(Br)cc(C=C(C#N)C(=O)Nc2ccccc2Cl)cc1OCC 2313518941 BMIXDLVJFSGRFJ-UHFFFAOYSA-N 461.743 5.612 50 10 JKGE N#CC(=Cc1cc(Br)ccc1OCc1cccc(F)c1)C(=O)Nc1ccc(F)cc1 2313630576 OOJFTDFBZLKJAK-UHFFFAOYSA-N 469.285 5.852 50 10 JKGE Cc1ccc(NC(=O)C(C#N)=Cc2cn(Cc3ccc(Br)cc3)c3ccccc23)cc1 2313630888 HFNDHUCLYHSTQC-UHFFFAOYSA-N 470.370 6.306 50 10 JKGE N#CC(=Cc1ccc(-c2ccc([N+](=O)[O-])cc2)o1)c1nc(-c2ccc(Br)cc2)cs1 2314457018 RGEQZKSHRNAZIF-UHFFFAOYSA-N 478.327 6.805 50 10 JKGE CCOC(=O)C(C#N)=Cc1cn(-c2ccccc2)nc1-c1cccc(OCc2ccccc2F)c1 2314476059 HYMCTITWIYBSNW-UHFFFAOYSA-N 467.500 5.727 50 10 JKGE COc1cc(C=C2C(=O)N(C3CCCCC3)C(=O)C(C#N)=C2C)ccc1OCc1ccc(Cl)cc1 2314617089 QLRNAGZAGZXIOR-UHFFFAOYSA-N 490.987 5.853 50 10 JKGE Cc1c(Cl)sc(Cl)c1[C@H](Br)c1ccc(Cl)cc1I 2317777444 GXGQATLFUITWCM-SNVBAGLBSA-N 496.422 7.106 50 10 JKGE Fc1cc(Cl)c([C@@H](Br)c2cc(Br)c(Br)s2)c(Cl)c1 2318359479 UMQYOJKSROAOBA-JTQLQIEISA-N 497.836 7.203 50 10 JKGE Cc1ccc([C@@H](Br)c2csc(C)c2Br)c(C)c1Br 2320488585 FNAMSGJRQRNNHG-CQSZACIVSA-N 453.037 6.683 50 10 JKGE CCOc1ccc(OCC(=O)Oc2ccc(C=C(C#N)c3cccc(Cl)c3)cc2OC)cc1 2320506505 LDNIXHRZXNFSMU-UHFFFAOYSA-N 463.917 5.796 50 10 JKGE CCCOc1c(Br)cc(C=C(C#N)c2nc(O)c3ccccc3n2)cc1OCC 2323839122 KQKASRWNICMORW-UHFFFAOYSA-N 454.324 5.350 50 10 JKGE CCOc1cc(C=NNC(=O)Nc2cccc(Cl)c2)ccc1OCc1cc(C)ccc1C 2323839769 WXWAUTWHAPMDCR-UHFFFAOYSA-N 451.954 6.090 50 10 JKGE Cc1cc(I)ccc1NC=C(C#N)C(=O)Nc1ccc(Cl)c(Cl)c1 2324265109 BEEUKNDMJSQSSE-UHFFFAOYSA-N 472.113 5.365 50 10 JKGE Cc1ccc2nc(-c3ccc(NC=C(C#N)C(=O)Nc4ccccc4C(F)(F)F)cc3)sc2c1 2324305389 QPLDZTATUNLXFP-UHFFFAOYSA-N 478.499 6.749 50 10 JKGE N#CC(=Cc1cccc(Br)c1)C(=O)Nc1ccc(OCc2ccc(Cl)cc2)cc1 2329696557 QOMJFZKZROUTMI-UHFFFAOYSA-N 467.750 6.227 50 10 JKGE CCCCc1ccc(-c2csc(C(C#N)=C(O)CNC(=O)c3ccc(Cl)cc3)n2)cc1 2331255926 HREHNCFGWNWZEQ-UHFFFAOYSA-N 451.979 6.029 50 10 JKGE CSCC[C@@H](C(O)=C(C#N)c1nc(-c2ccc(Cl)cc2)cs1)N1C(=O)c2ccccc2C1=O 2331300518 NGJYUMAIXCUPQC-FQEVSTJZSA-N 496.013 5.674 50 10 JKGE N#CC(=Cc1ccccc1OCc1ccccc1Cl)c1nc(-c2cccc([N+](=O)[O-])c2)cs1 2331416003 GBICEGOCJVJDIF-UHFFFAOYSA-N 473.941 7.015 50 10 JKGE Brc1ccc(OCc2ccccc2)c([C@H](Br)C2Cc3ccccc3C2)c1 2336051811 VMZXOUHIYFVCOQ-HSZRJFAPSA-N 472.220 6.879 50 10 JKGE Cc1c(Br)sc([C@H](Br)c2cc(F)c(F)cc2F)c1Br 2336115048 HQZKHYOLERKZKC-SNVBAGLBSA-N 478.953 6.483 50 10 JKGE ClCc1c(Br)cccc1OCc1cc(Br)cc(Br)c1 2337068685 FHTCDXYKIUXXQI-UHFFFAOYSA-N 469.398 6.292 50 10 JKGE C[C@H](C[C@@H](Br)c1c(Cl)cc(Br)c(F)c1Br)C(C)(C)C 2337115346 ZUYYCRRMXWCOIS-HTQZYQBOSA-N 479.453 7.512 50 10 JKGE Fc1cc(CBr)c(Oc2cc(Br)cc(Br)c2)cc1Cl 2338758334 QNVPCWTWCACGQL-UHFFFAOYSA-N 473.361 6.691 50 10 JKGE CCCN[C@H](c1c(C)cc(Br)c(F)c1Br)[C@@H]1C[C@@H]1Br 2339656914 SERZABNVSVEKQK-ITMYJUKJSA-N 458.007 5.483 50 10 JKGE BrC[C@]12CCC[C@@H]1CN(Cc1ccc(I)c(Br)c1)C2 2349839244 GADQIESKNQASKH-DOMZBBRYSA-N 499.028 5.051 50 10 JKGE Clc1ccc(I)cc1C[C@@H]1C[C@@H]2CCCC[C@H]2[C@H]1Br 2352427595 JQHOJFZOFAVIJI-JPYFCXBMSA-N 453.589 6.077 50 10 JKGE Fc1cc([C@@H](Cl)c2ccc(OCc3ccccc3)cc2Br)c(F)c(F)c1F 2361200143 HCHUOZCLGHBWCW-KRWDZBQOSA-N 459.664 6.913 50 10 JKGE COC[C@]1([C@@H](Cl)c2c(Cl)cc(Br)c(F)c2Br)CCCO1 2362237924 UBXXWAIBBWAXKS-STQMWFEESA-N 450.957 5.480 50 10 JKGE CC1(C)COC[C@H]1CC(CBr)(CBr)c1ccccc1Br 2364480016 QBKNCUOUGAFSSF-GFCCVEGCSA-N 469.055 5.539 50 10 JKGE Cc1cc(Br)c(F)c(Br)c1[C@H](Br)C(F)(F)[C@@H]1CCOC1 2365193960 MYHRNYDFQRAOLF-KRTXAFLBSA-N 480.944 5.767 50 10 JKGE C[C@@H]1CCC[C@]12[C@@H](Br)C[C@H]2OCc1c(Br)cccc1Br 2366183928 BVQWRBWPOYALMR-CXOGBFNASA-N 467.039 6.070 50 10 JKGE CC1(C)[C@H]2CC[C@@H](C2)[C@@]1(CBr)Cc1ccc(Cl)cc1I 2366714290 HLNHZBMNZFZAPL-DCGLDWPTSA-N 467.616 6.325 50 10 JKGE Cc1cc(Br)c([C@H](Br)C[C@H]2CC[C@H]2C2CC2)c(C)c1Br 2367953128 KTLVITHTXJESGU-VNHYZAJKSA-N 465.067 7.091 50 10 JKGE CC(C)(C)[C@@H]1CC[C@@H]1CO[C@H](CI)c1ccccc1Br 2369178935 VEDUBVLUOZHXRM-XNRPHZJLSA-N 451.186 6.014 50 10 JKGE O=C(c1csc(Br)c1Br)N1CCC[C@H](Cl)[C@@H]1C(F)(F)F 2370263425 DTUWTFQLIVRXRY-POYBYMJQSA-N 455.521 5.047 50 10 JKGE CC(C)[S@@](=O)(=NCC1(CBr)CC(C)(C)C1)[C@H]1CCN(C(=O)OC(C)(C)C)C1 2371134318 UHZIEKRIFPHMJB-OQRWROFFSA-N 465.498 5.074 50 10 JKGE Cc1cc(Br)c(C)c([C@@H](Br)[C@H]2C[C@@H](C(F)(F)F)C2)c1Br 2380886953 GUYGCULMJMOUHK-RWEMILLDSA-N 478.972 6.853 50 10 JKGE Cc1ccc([C@@H](C(=O)NC2CCCCCC2)N(C(=O)CCl)[C@H]2CCCc3ccccc32)cc1 3038846 PIZNFYUUSQBBEG-BDYUSTAISA-N 467.053 6.020 50 10 JKGE O=C(N/N=C/c1cccc(OCc2ccccc2)c1)c1ccc(NC(=O)C2CCCCC2)cc1 12487508 YYFHGQMSGDMPNU-VUTHCHCSSA-N 455.558 5.548 50 10 JKGE CCOC(=O)/C(C#N)=C\c1cc(Br)c(OC(=O)/C=C\c2ccccc2Cl)c(OC)c1 33280528 RGJQQXKZDIFSDN-LGWXOCJJSA-N 490.737 5.200 50 10 JKGE Cc1c(Cl)cccc1N(C(=O)CCl)[C@H](C(=O)N[C@H]1CCCC[C@H]1C)c1ccccc1Cl 33404644 UVAILIYOFRBEED-XLHILCRZSA-N 481.851 6.310 50 10 JKGE CCOc1ccccc1[C@@H]1C(C#N)=C(N)Oc2cc(OC(=O)Cc3cccc4ccccc34)ccc21 38650524 RDZRHYPAEBKCJB-LJAQVGFWSA-N 476.532 5.605 50 10 JKGE CCCOc1ccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4cccc5ccccc45)ccc32)cc1 38650684 FKTATOOBVVQRLA-NDEPHWFRSA-N 476.532 6.066 50 10 JKGE CCc1ccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)COc4cccc(Cl)c4)ccc32)cc1 38677661 KXZCDODBSHBAJX-VWLOTQADSA-N 460.917 5.105 50 10 JKGE N#CC1=C(N)Oc2cc(OC(=O)c3ccco3)ccc2[C@H]1c1cccc(OCc2ccc(F)cc2)c1 38686874 NEQQOEJEUALKCL-AREMUKBSSA-N 482.467 5.435 50 10 JKGE Cc1cccc(NC(=O)c2oc3c(c2C)/C(=N/NC(=O)c2ccc(Br)cc2)CCC3)c1 40811800 HUVDWPHNEMTJTR-ZXVVBBHZSA-N 480.362 5.382 50 10 JKGE Cc1c(C(=O)Oc2cccc3ccccc23)oc2c1/C(=N/NC(=O)c1ccccc1F)CCC2 40812485 YBEYAOWHYWUGHH-XHLNEMQHSA-N 456.473 5.570 50 10 JKGE Cc1ccc(NC(=O)c2oc3c(c2C)/C(=N/NC(=O)c2cccc4ccccc24)CCC3)cc1Cl 40813560 GXNITGOFIYFSGU-UQRQXUALSA-N 485.971 6.426 50 10 JKGE COc1cc(/C=N/NC(=O)COc2cccc(Cl)c2)ccc1OCc1ccccc1Cl 40846844 MBCHIROOVBALBQ-LGJNPRDNSA-N 459.329 5.110 50 10 JKGE Cc1cc(Br)cc(C)c1OCC(=O)N/N=C/c1ccccc1OCc1ccccc1 40888774 ZKTOLPZOQIDQQO-VULFUBBASA-N 467.363 5.174 50 10 JKGE C[C@@H](Cl)c1nc2cc(I)ccc2n1-c1ccccc1Br 97353911 KQYSOPCKROHITL-SECBINFHSA-N 461.528 5.692 50 10 JKGE Cc1ccc(C2=CS/C(=C(\C#N)C(=O)N3CCN(C(=O)C4CCC4)CC3)N2c2ccc(C)cc2)cc1 97634448 GFJBZSUFRGWADB-XLVZBRSZSA-N 498.652 5.061 50 10 JKGE CC1(C)[C@@H](Br)C[C@@H]1Oc1c(Br)cc([N+](=O)[O-])cc1Br 97647065 UVVZMNVFUYVVDH-UWVGGRQHSA-N 457.944 5.061 50 10 JKGE CC[C@H](C)N1C(=O)C(C#N)=C(C)/C(=C\c2cn(-c3ccccc3)nc2-c2ccc(OC(C)C)cc2)C1=O 101334267 GZPQOOOVWNMHHG-NTRYICDMSA-N 494.595 5.717 50 10 JKGE COc1cc2c(cc1N/C=C(/C#N)c1nc(-c3ccc(Cl)cc3)cs1)oc1ccccc12 102420189 YWONQVWJUKIMCJ-SSZFMOIBSA-N 457.942 7.348 50 10 JKGE N#C/C(=C/c1cccc(Br)c1)c1nc(-c2ccccc2)c(NC(=O)c2ccccc2)s1 102859021 FGWRYEQKDKVJHI-ZHZULCJRSA-N 486.394 6.889 50 10 JKGE Cl[C@@H](Cc1cccc(Br)c1)c1cc(Br)ccc1Br 104035825 DTGWMLJAHQCTDK-AWEZNQCLSA-N 453.399 6.497 50 10 JKGE Cc1cc(Br)c([C@H](Br)c2cc(Cl)cc(Cl)c2)cc1Br 128752206 OUBRUHHCPMMEEV-CQSZACIVSA-N 487.844 7.311 50 10 JKGE Cc1cc(Br)c([C@@H](Br)c2cc(F)ccc2C)cc1Br 128752679 UTFKJKSDXJVZIZ-HNNXBMFYSA-N 450.971 6.452 50 10 JKGE Cc1cc(Br)c([C@H](Br)c2cccc(C)c2F)cc1Br 132253800 YPKDXUCNBJISIB-CQSZACIVSA-N 450.971 6.452 50 10 JKGE COc1cc(Cl)c([C@H](Cl)c2cc(Br)ccc2Br)cc1Cl 161120573 ZSYAAKWEXOGACG-CQSZACIVSA-N 459.392 6.855 50 10 JKGE Brc1ccc(C[C@@H](Br)c2csc3c(Br)cccc23)cc1 163503898 ISIYOGCKVYJSPC-OAHLLOKOSA-N 475.043 7.105 50 10 JKGE CCOc1cc(/C=N\NC(=O)Cc2ccc(OC)cc2)ccc1OCc1cccc(Cl)c1 169901139 PXARDMUNRNQXLD-YUMHPJSZSA-N 452.938 5.019 50 10 JKGE CCOC(=O)/C(C#N)=C/c1cccc(OC(=O)/C=C\c2ccc(OCc3ccc(C)cc3)cc2)c1 206745144 LUUXCCBPBBMSGY-RTCWJMDDSA-N 467.521 5.663 50 10 JKGE CCOC(=O)c1c(NC(=O)/C(C#N)=C\c2ccc(C(C)(C)C)cc2)sc2c1CC[C@@H](C)C2 209406180 KQRRJQSNCWJCGZ-VVZNPABPSA-N 450.604 5.893 50 10 JKGE Clc1sc([C@@H](Br)c2ccc3cc(Br)ccc3c2)cc1Br 227848523 MVEPLZYQWKXCFP-AWEZNQCLSA-N 495.461 7.564 50 10 JKGE CC[C@H](C)c1ccc([C@H](Br)c2cc(Br)sc2Br)cc1 234023666 QGTNQRZTBSQFNK-XPTSAGLGSA-N 467.064 7.271 50 10 JKGE CCc1ccc([C@@H](Br)c2cc(I)ccc2Br)s1 234195923 VWIWBLRTNPMVSS-ZDUSSCGKSA-N 486.010 6.162 50 10 JKGE O=[N+]([O-])c1ccccc1S[C@@H]1C[C@@H]2[C@H](c3ccccc3)Nc3c(F)cccc3[C@@H]2[C@H]1Cl 250812480 LZXBOXFPMAFGKF-GXPUJQSHSA-N 454.954 6.773 50 10 JKGE CC(=NNC(=O)CSc1nnc(SCc2cccc3ccccc23)s1)c1cccs1 254714753 BZERYLRYNCRQAO-UHFFFAOYSA-N 470.670 5.678 50 10 JKGE CCOc1ccc(C(=O)Oc2ccc3ccccc3c2C=NNC(=O)c2cccc3ccccc23)cc1 254734095 AWKHPQPUNSWBAT-UHFFFAOYSA-N 488.543 6.375 50 10 JKGE CCOc1ccc(C(=O)NN=Cc2c(OC(=O)c3ccc(OC)cc3)ccc3ccccc23)cc1 254747135 UTUDALZTTCSGDY-UHFFFAOYSA-N 468.509 5.230 50 10 JKGE BrCC(CBr)(CCC1CCOCC1)c1ccccc1Br 313537957 NPQOXFIOHXICAY-UHFFFAOYSA-N 469.055 5.684 50 10 JKGE ClCc1nc2c(Br)cccc2n1-c1cc(Br)cc(Br)c1 690365327 FDEYRYWGRWVBGC-UHFFFAOYSA-N 479.397 6.052 50 10 JKGE C[C@H]1CN(Cc2ccccc2)C[C@@H]1Cn1c(CCl)nc2cc(F)c(Br)cc21 708573947 LPTMNIQTVANSIV-GOEBONIOSA-N 450.783 5.445 50 10 JKGE Cc1cc([C@H](Br)c2cccc(F)c2I)c(C)cc1Cl 721684694 QGRDMVCJECPVGL-CQSZACIVSA-N 453.520 6.185 50 10 JKGE Cc1ccc(CNC(=O)[C@@H](c2cccs2)N(C(=O)CCl)c2cccc(C(F)(F)F)c2)cc1 725238563 VOGKNXVWPHSLMP-OAQYLSRUSA-N 480.939 5.705 50 10 JKGE C=CCc1cc([N+](=O)[O-])ccc1OC(=O)CCSCc1nc(O)c2c3c(sc2n1)CCCC3 746184232 TXWIHOGOCQSBNZ-UHFFFAOYSA-N 485.587 5.141 50 10 JKGE C=CCc1cc(C=NNC(=O)CC[C@H](O)c2ccccc2)cc(OC)c1OCc1ccc(F)cc1 1083919569 XXORKRAMLRTQNL-VWLOTQADSA-N 476.548 5.106 50 10 JKGE Cc1cccc(Cn2cc(C=NNC(=O)c3cc4cc(Br)ccc4o3)c3ccccc32)c1 1083983361 PMPWUEHQAWVOHT-UHFFFAOYSA-N 486.369 6.271 50 10 JKGE CCOc1ccc([C@@H](O)CCC(=O)NN=Cc2cc(C)n(-c3ccc(Cl)cc3Cl)c2C)cc1 1084436240 IUDJXOYGQQBIMN-DEOSSOPVSA-N 488.415 5.764 50 10 JKGE COc1ccc(/C=C(/C#N)C(=O)Nc2cc(Cl)ccc2Cl)cc1OCc1ccccc1Cl 1084586199 JAZGHYLOIUHYQW-YVLHZVERSA-N 487.770 6.780 50 10 JKGE CC(C)(C)CC(C)(C)c1ccc(OCC(=O)NN=Cc2cccc(Oc3ccccc3)c2)cc1 1772753030 AXBVFHNILWXGAT-UHFFFAOYSA-N 458.602 6.722 50 10 JKGE COc1ccc(C=NNC(=O)CCCOc2ccc(C(C)(C)C)cc2Br)cc1OC 1772755561 MEUJTWLXEBNPGG-UHFFFAOYSA-N 477.399 5.073 50 10 JKGE COc1ccccc1C(=O)Nc1cccc2c(OC(=O)Nc3ccc(SC#N)cc3)cccc12 1858769753 OMLQQQMXXDHVOC-UHFFFAOYSA-N 469.522 6.285 50 10 JKGE N#CC1=C(N)Oc2c(c(-c3ccccc3)nn2-c2ccc(Br)cc2)[C@@H]1c1cccc(O)c1 1865681281 JGSPIRPTXQKROM-OAQYLSRUSA-N 485.341 5.226 50 10 JKGE Cc1ccc(C)c(Cn2nc(C(F)(F)F)c3c2OC(N)=C(C#N)[C@@H]3c2ccc(C(C)C)cc2)c1 1865686042 PTLQYFDKJHYAIG-NRFANRHFSA-N 466.507 5.909 50 10 JKGE N#CC1=C(N)Oc2c(c(-c3ccccc3)nn2-c2ccc(Cl)cc2)[C@H]1c1c(Cl)cccc1Cl 1865686529 WYAOWBMFHNISNN-HXUWFJFHSA-N 493.781 6.718 50 10 JKGE COc1cc([C@@H]2C(C#N)=C(N)Oc3c2c(C)nn3CC(C)C)ccc1OCCCc1ccccc1 1865696412 GIWARPIZRLRAOU-AREMUKBSSA-N 472.589 5.086 50 10 JKGE CCc1nn(-c2ccc(Cl)cc2)c2c1[C@H](c1ccc(OCc3ccccc3C)cc1)C(C#N)=C(N)O2 1865702960 JLNVPWZIHCSPSA-AREMUKBSSA-N 496.998 6.194 50 10 JKGE N#CC1=C(N)Oc2c(c(C(F)(F)F)nn2-c2ccc(Cl)c(Cl)c2)[C@H]1c1ccc(F)cc1 1865708316 TYLDUFCWVVNYNQ-HNNXBMFYSA-N 469.225 5.555 50 10 JKGE COc1ccc(-c2nn(Cc3cccc(F)c3)c3c2[C@H](c2cccc(C)c2)C(C#N)=C(N)O3)cc1 1865710991 NGUMHJZOCVEJOU-XMMPIXPASA-N 466.516 5.273 50 10 JKGE CCCCOc1ccc(/C(O)=C(\C#N)c2nc(-c3ccc(OC)cc3)cs2)cc1OCC 1872745916 JSZYJFXAEMCOOC-GFMRDNFCSA-N 450.560 6.346 50 10 JKGE Cc1cc(C)c(C)c(-c2csc(/C(C#N)=C(\O)Cc3ccc(OCc4ccccc4)cc3)n2)c1C 1872754576 ZFWIAWPNQNZVQT-SGEDCAFJSA-N 480.633 7.658 50 10 JKGE COc1cc(OC)cc(/C(O)=C(\C#N)c2nc(-c3cc(Cl)c(OC)cc3OC)cs2)c1 1872756077 CCNDBJBXNALYIB-PGMHBOJBSA-N 458.923 5.448 50 10 JKGE COc1c(C)cc(Cl)cc1-c1csc(/C(C#N)=C(\O)c2cc([N+](=O)[O-])cc([N+](=O)[O-])c2)n1 1872757213 VACOSZPCPGVXOK-VLGSPTGOSA-N 472.866 5.547 50 10 JKGE CC[C@H](C)[C@@H](/C(O)=C(\C#N)c1nc(-c2ccc(Cl)s2)cs1)N1C(=O)c2ccccc2C1=O 1872758235 QUBXNBPWCNSUEV-OQGZCZJCSA-N 484.002 6.029 50 10 JKGE COc1ccc(-c2csc(/C(C#N)=C(\O)CCCOc3ccc(C)cc3)n2)c(OC)c1OC 1872759382 MSHKOYZYGLTCQH-VZCXRCSSSA-N 466.559 5.796 50 10 JKGE CCOc1cc(/C=C(\C#N)c2nc(-c3cc(C)ccc3OC)cs2)ccc1OCc1ccccc1 1872790780 DSXYSCUIQKTHTK-HZHRSRAPSA-N 482.605 7.169 50 10 JKGE Cc1cc(Br)c(C(=O)N(Cc2ccccc2)C[C@H](C)Br)cc1Cl 1914609449 GCCYPUGLOLROCX-ZDUSSCGKSA-N 459.609 5.837 50 10 JKGE CC(C)[C@H](CBr)N(Cc1ccccc1)C(=O)Cc1ccc(Br)cc1 1915292859 FUIOPKHVILKFES-IBGZPJMESA-N 453.218 5.440 50 10 JKGE O=C(NCC1CCC(CBr)CC1)c1cc(Br)cc(Br)c1 1922690404 PVECEAUKDRROAB-UHFFFAOYSA-N 468.027 5.143 50 10 JKGE CC[C@H](C)[C@@H](c1ccccc1)[C@H](Br)c1sc(Br)cc1Br 1922953913 ITRXMHZGUNNTIU-LKTVYLICSA-N 481.091 7.539 50 10 JKGE O=S1(=O)CCCC[C@H]1[C@H](Cl)c1c(Br)sc(Br)c1Cl 1923040013 SBQBGXLEOWRMGV-FSPLSTOPSA-N 457.036 5.174 50 10 JKGE Cl[C@H](c1c(Br)sc(Br)c1Br)[C@H]1Cc2ccccc21 1924586524 YUWNJKYVYIZRGW-KWQFWETISA-N 471.439 6.655 50 10 JKGE Fc1cccc([C@@H](Br)c2c(Cl)sc(Br)c2Cl)c1Cl 1925588141 NOMLGZHRAPIJSY-SSDOTTSWSA-N 453.385 7.094 50 10 JKGE Cc1cc(Br)cc([C@H](Br)c2c(Cl)sc(Br)c2Cl)c1 1925590073 WNBANRNZWMXNSY-VIFPVBQESA-N 493.873 7.373 50 10 JKGE CCc1nc([C@H](Cl)c2sc(Br)cc2Br)c(Br)s1 2003572918 VOTPJPLUFFTONK-ZETCQYMHSA-N 480.472 6.383 50 10 JKGE COc1ccc([C@@H](Br)c2cc(Br)c(C)cc2Br)s1 2034652467 SAIMKLLZRKCIFS-ZDUSSCGKSA-N 455.009 6.074 50 10 JKGE BrCc1ccc(Br)cc1N1CC[C@@H]2CN(Cc3ccccc3)C[C@@H]2C1 2049663723 ASLKLEXPUVWTIF-RTBURBONSA-N 464.245 5.302 50 10 JKGE BrCc1cc(Br)ccc1N1CC[C@@H]2CN(Cc3ccccc3)C[C@H]2C1 2049664697 LDJSOUHEGICTSR-MJGOQNOKSA-N 464.245 5.302 50 10 JKGE FC(F)(C1CCOCC1)[C@@H](Br)c1cc(Br)sc1Br 2065618206 IQCALCJTJLKSIU-VIFPVBQESA-N 468.983 5.771 50 10 JKGE Clc1ccc(I)c(CN2[C@H](CBr)C[C@@H]3CCC[C@H]32)c1 2108400425 WPMBTRUYIQMNMB-VZJVUDMVSA-N 454.577 5.083 50 10 JKGE CC(C)(C)OC(=O)NCCSSCCNC1CC(c2ccccc2Br)C1 2125294983 YZOFXQKXIWMFSJ-UHFFFAOYSA-N 461.491 5.191 50 10 JKGE COc1cc(F)c([C@@H](Cl)c2scc(Br)c2Br)cc1Br 2138161359 PPGYYYULEATDKI-LLVKDONJSA-N 493.417 6.512 50 10 JKGE Cc1cc(F)c(F)cc1[C@H](Br)c1cc(Cl)ccc1I 2139642655 JSXDCNQTEJSTHH-AWEZNQCLSA-N 457.483 6.016 50 10 JKGE Clc1c(Br)sc(Br)c1[C@H](Br)[C@@H]1C[C@H]2COC[C@H](C2)C1 2141790573 OHBLVLFSDFNGBE-CHIQAWFVSA-N 493.486 6.425 50 10 JKGE Cc1c(Br)cccc1CC(CBr)(CBr)C1CCOCC1 2143683148 ANDACKASWGNFDT-UHFFFAOYSA-N 469.055 5.503 50 10 JKGE FC1(F)CO[C@H](CC(CBr)(CBr)c2ccccc2Br)C1 2144788705 IDSRVBQXXHAASR-SNVBAGLBSA-N 476.981 5.291 50 10 JKGE Cc1nc([C@H](Br)c2cc3c(cc2Br)OCCO3)c(Br)s1 2169494469 GSQOONIYQSCJCG-LLVKDONJSA-N 484.007 5.232 50 10 JKGE CC[C@H](Br)[C@H]1CCCCN1C(=O)c1ccc(I)c(Cl)c1 2170615237 RDZUSBWNXWJSSE-SMDDNHRTSA-N 470.576 5.113 50 10 JKGE Clc1cc(Br)cnc1CC(CBr)(CBr)C1CCCCC1 2183581324 INVZZKQARLLXHZ-UHFFFAOYSA-N 488.489 6.397 50 10 JKGE COc1c(Cl)cc(Br)cc1[C@H](Br)c1cc(C)cc(Br)c1 2202999610 BUADXQBYHPFRDU-CQSZACIVSA-N 483.425 6.666 50 10 JKGE COc1cc(F)c(F)cc1[C@H](Br)Cc1ccccc1I 2204480883 JOVYMCCLQKEDLO-LLVKDONJSA-N 453.064 5.257 50 10 JKGE Cc1sc([C@@H](Cl)c2sc(Br)cc2Br)c(C)c1Br 2213744076 VFFACCKKFBRBIH-SECBINFHSA-N 479.484 7.042 50 10 JKGE Brc1c([C@H](Br)c2csc(I)c2)ccc2c1CCO2 2222187464 BQGUKJBBFFUAQT-GFCCVEGCSA-N 499.993 5.534 50 10 JKGE Fc1cc(Br)c(Br)cc1[C@H](Br)[C@H]1CCCC12CCC2 2225617160 LZHTUKALCDZFMH-YGRLFVJLSA-N 455.003 6.757 50 10 JKGE Cc1cc([C@H](Cl)c2c(Cl)sc(Br)c2Cl)cc(C)c1Br 2227421851 PGODEHBEGWZRHL-JTQLQIEISA-N 463.449 7.525 50 10 JKGE Cc1sc(Br)c([C@@H](Cl)c2c(Br)cc(Cl)c(Cl)c2Cl)c1C 2232514053 SWWCUHMNXAMOSY-LLVKDONJSA-N 497.894 8.178 50 10 JKGE C[C@H](Cl)c1nc2cc(Br)c(F)cc2n1C[C@H]1CC1(Br)Br 2233042532 XAEKOTNCPGKXLD-NKWVEPMBSA-N 489.408 5.744 50 10 JKGE Cc1cc([C@H](Br)c2c(Br)cc(C)c(Br)c2C)ccc1F 2235605047 QCUIKCBBOPSFHE-INIZCTEOSA-N 464.998 6.760 50 10 JKGE Cc1cc(Br)c([C@H](Br)c2cc(Br)c3c(c2)C[C@H](C)O3)s1 2237635615 QECADLPBPVHECV-WPPNPWJKSA-N 481.047 6.389 50 10 JKGE COc1ccc([C@H](Br)c2cc(C)c(Br)cc2C)c(Br)c1 2240822590 JIMVOJAEKIBWLV-INIZCTEOSA-N 463.007 6.321 50 10 JKGE COc1cc(Cl)c([C@H](Cl)c2cc(C)ccc2I)cc1Br 2240994835 CVKMFDLWCFXGSZ-HNNXBMFYSA-N 485.974 6.352 50 10 JKGE COc1cc(C)c([C@@H](Cl)c2cc(C)ccc2I)cc1Br 2241001084 MOPBXQAUARHPNX-MRXNPFEDSA-N 465.556 6.007 50 10 JKGE C[C@@H](CCBr)N(Cc1ccccc1)C(=O)c1cc(Br)c(F)cc1Cl 2249341766 XELIFIQHQAXYSN-LBPRGKRZSA-N 477.599 6.058 50 10 JKGE Brc1cc(Br)cc(C[C@@H](Br)c2cocc2Br)c1 2252829566 KAXDVSNZIOLATF-LLVKDONJSA-N 487.811 6.246 50 10 JKGE COc1ccc([C@H](Cl)c2c(C)nsc2Br)cc1I 2257353629 IGTUYMROCRQFFH-NSHDSACASA-N 458.546 5.155 50 10 JKGE Fc1cc(Cl)c(Br)cc1[C@@H](Cl)c1c(F)cccc1I 2267742033 YDLYEJQURIJBIE-CYBMUJFWSA-N 477.901 6.314 50 10 JKGE COc1ccc([C@@H](Br)c2ccc(OCc3ccccc3)cc2)c(Br)c1Cl 2268265014 AFZVRTWZWXCCMI-IBGZPJMESA-N 496.626 7.174 50 10 JKGE CC(C)C(C(C)C)[C@H](Br)c1c(F)cc(Br)c(F)c1Br 2272850343 UELOLVPGDOBUFR-LBPRGKRZSA-N 462.998 6.854 50 10 JKGE Fc1cc(Br)c(F)c(Br)c1[C@H](Br)[C@H]1CCC(F)(F)C1 2277733319 DDARHYYPWOLMAF-SSDLBLMSSA-N 468.908 6.361 50 10 JKGE FC1(F)[C@H]2C[C@@H]([C@H](Br)Cc3cc(Br)cc(Br)c3)C[C@H]21 2277966774 VTSGUPXWWPOKHX-GHORINQJSA-N 458.966 5.809 50 10 JKGE C[C@@H]1Cc2cc([C@H](Cl)c3scc(Br)c3Cl)cc(Br)c2O1 2279286111 BXNKPYCQUPBVCH-KBUNVGBDSA-N 457.014 6.578 50 10 JKGE COc1ccc([C@@H](Cl)c2cccc(Cl)c2Br)c(Br)c1Cl 2283556058 ZSRBIYXBKGHZMU-ZDUSSCGKSA-N 459.392 6.855 50 10 JKGE Cc1c(Br)cccc1CO[C@H](CI)c1ccccc1Cl 2283652276 SBWNNRAWIUDODP-MRXNPFEDSA-N 465.556 6.104 50 10 JKGE CC1(C)CCC(C)(C)[C@H](Cc2c(Br)cccc2Br)[C@@H]1Br 2290329736 YVQTUVQJSGSRSO-DOMZBBRYSA-N 467.083 6.980 50 10 JKGE CC(C)(C)c1ccc(C=C(C#N)C(=O)Nc2ncc(Cc3cccc(C(F)(F)F)c3)s2)cc1 2293038673 SNPSXKQMCIZWAM-UHFFFAOYSA-N 469.532 6.596 50 10 JKGE COc1cccc(OCCOc2c(Cl)cc(Cl)cc2C=C(C#N)c2ccc([N+](=O)[O-])cc2)c1 2293535009 CIWWSKGCAJOHGA-UHFFFAOYSA-N 485.323 6.432 50 10 JKGE Cc1cc(Br)ccc1NC=C(C#N)c1nc(-c2ccc(Cl)cc2Cl)cs1 2296800806 XDKRPGIUNFHNAO-UHFFFAOYSA-N 465.203 7.164 50 10 JKGE N#CC(=Cc1ccc(Br)cc1)c1nc(-c2cc3cc([N+](=O)[O-])ccc3oc2=O)cs1 2297321165 NVTVGEPJJIHWDX-UHFFFAOYSA-N 480.299 5.651 50 10 JKGE Cc1ccc(C[C@@H]2SC(=C(C#N)C(=O)Nc3ccc(F)cc3)N(c3ccc(F)cc3)C2=O)cc1 2297469114 HVRJDXHLLAPYRT-QHCPKHFHSA-N 475.520 5.338 50 10 JKGE CC(F)(F)C1([C@H](Br)c2ccc(OCc3ccccc3)cc2Br)CC1 2299535058 KVDAMVHUYYPCMW-QGZVFWFLSA-N 460.156 6.900 50 10 JKGE Fc1cccc([C@@H](Cl)c2sc(Cl)cc2I)c1Br 2300955975 SVSDRANEQJRWGN-SNVBAGLBSA-N 465.940 6.236 50 10 JKGE COc1cc(C=C(C#N)C(=O)Nc2ccc(C)c(C)c2)cc(Br)c1OCc1ccccc1 2313511246 VYVHPQGZSYTLRU-UHFFFAOYSA-N 491.385 6.199 50 10 JKGE COc1cc(C=C(C#N)C(=O)Nc2ccc(Cl)cc2)ccc1OCc1c(Cl)cccc1Cl 2313630573 BYGMIBQSSQXDJY-UHFFFAOYSA-N 487.770 6.780 50 10 JKGE COc1ccc(C(=O)Oc2ccc(C=C(C#N)C(=O)Nc3cccc(Cl)c3Cl)cc2OC)cc1 2313630603 CKKSBOYFBDISBN-UHFFFAOYSA-N 497.334 5.775 50 10 JKGE Brc1ccc(OCc2ccccc2)c([C@H](Br)CC[C@@H]2CCCCO2)c1 2314449213 OCWBDUMPOPKRLW-AZUAARDMSA-N 468.229 6.813 50 10 JKGE CCOc1cccc(-c2nn(-c3ccccc3)cc2C=C(C#N)S(=O)(=O)c2ccccc2)c1 2314475737 BGAWHEHUZYKYFT-UHFFFAOYSA-N 455.539 5.276 50 10 JKGE CC1(C)CO[C@H](C[C@H](Br)c2ccc(OCc3ccccc3)cc2Br)C1 2314503205 PXXYDPMAESBHPZ-XLIONFOSSA-N 468.229 6.669 50 10 JKGE N#CC(=Cc1ccc(-c2ccc(Cl)c(Cl)c2)o1)C(=O)Nc1sc2c(c1C(N)=O)CCCC2 2314571300 CUFCZZIELNTPAG-UHFFFAOYSA-N 486.380 5.838 50 10 JKGE CCOc1ccc(N2C(=O)[C@H](Cc3ccc(C)cc3)SC2=C(C#N)C(=O)Nc2cccc(C)c2)cc1 2314592257 PAFBMJCIVDYWPY-SANMLTNESA-N 497.620 5.767 50 10 JKGE CC(C)c1ccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)C=Cc4ccccc4Cl)ccc32)cc1 2314634295 YUAVXQZTENPKSQ-HHHXNRCGSA-N 470.956 6.300 50 10 JKGE Cc1nc(Br)c([C@H](Cl)c2c(Cl)sc(Br)c2Cl)n1C 2315631408 UDGFQBZWRBELMW-RXMQYKEDSA-N 453.414 5.950 50 10 JKGE CC(C)(C)[C@](C)(CBr)CN1CCC12CCN(C(=O)OCc1ccccc1)CC2 2327074802 BVAXZCQNVGJABL-JOCHJYFZSA-N 451.449 5.311 50 10 JKGE N#CC(=C(O)c1c(Cl)ccc(Cl)c1Cl)c1nc(-c2cccc(Br)c2)cs1 2331278702 CPOGDUIVLSIVPW-UHFFFAOYSA-N 486.605 7.483 50 10 JKGE N#CC(=C(O)CCCCCNC(=O)c1ccccc1)c1nc(-c2ccc(F)cc2F)cs1 2331293059 MIMUAWFQWDTSNV-UHFFFAOYSA-N 453.514 5.871 50 10 JKGE CCc1cccc(CC)c1N1C[C@H](C(O)=C(C#N)c2nc(-c3cccc(Cl)c3)cs2)CC1=O 2331294065 LUHFKCWTQDVLJN-LJQANCHMSA-N 478.017 6.434 50 10 JKGE CCCCCCCOc1ccc(-c2csc(C(C#N)=C(O)C=Cc3ccccc3Cl)n2)cc1 2331345751 VNHOTBPWTDKDJT-UHFFFAOYSA-N 479.045 8.319 50 10 JKGE COc1c(Cl)cc(Cl)cc1-c1csc(C(C#N)=C(O)C=Cc2cccc(Cl)c2)n1 2331362598 GMAHFZNZCOVLBF-UHFFFAOYSA-N 463.773 7.285 50 10 JKGE COc1cc(Cl)c(C)cc1-c1csc(C(C#N)=C(O)C=Cc2ccc(Cl)cc2Cl)n1 2331390642 WZFGWMPRLMOADR-UHFFFAOYSA-N 477.800 7.593 50 10 JKGE COc1ccc(-c2csc(C(C#N)=Cc3ccc(OCc4ccccc4)c(OC)c3)n2)cc1C 2331430219 VISBFNSZYXUVEJ-UHFFFAOYSA-N 468.578 6.779 50 10 JKGE COc1ccc(OC)c(-c2csc(C(C#N)=Cc3ccccc3OCc3ccc(Cl)cc3)n2)c1 2331450698 OTCIUHHLLQRGMZ-UHFFFAOYSA-N 488.996 7.124 50 10 JKGE CCCCOc1ccc(C=C(C#N)c2nc(-c3cc(OC)c(Cl)cc3OC)cs2)cc1OC 2331471218 WUFWEOPCIMSTKP-UHFFFAOYSA-N 485.005 6.732 50 10 JKGE Fc1cc(Br)c(Br)cc1[C@@H](Br)[C@H]1OC[C@@H]2CCC[C@H]12 2333605646 TUEKKZLVCMNVMI-ZLWXWRSGSA-N 456.975 5.602 50 10 JKGE CS(=O)(=O)c1sccc1[C@@H](Cl)c1ccc(OCc2ccccc2)cc1Br 2336056494 JDKFENYXLJZJHF-SFHVURJKSA-N 471.825 5.821 50 10 JKGE COc1ccc(C[C@H](Br)c2cc(C)c(Br)s2)c(Br)c1 2338885654 UCYVLJZAZLDDQL-LBPRGKRZSA-N 469.036 6.269 50 10 JKGE ClC[C@H](NCc1ccc(I)c(Br)c1)c1ccccc1 2349826051 SPFMJEJHALDXRV-HNNXBMFYSA-N 450.545 5.123 50 10 JKGE CN(Cc1c(Br)cccc1Br)c1ccnc(Cl)c1CBr 2353870612 XRSVLEDJHFASQD-UHFFFAOYSA-N 483.429 5.791 50 10 JKGE COc1cc(COc2cccc(Br)c2CBr)c(Br)cn1 2362086569 HKGVPYWMYQIHFF-UHFFFAOYSA-N 465.967 5.089 50 10 JKGE COc1cc([C@H](Br)c2cccc(I)c2)c(OC)cc1Cl 2363535288 SBTOTWNKJMNQCK-OAHLLOKOSA-N 467.528 5.446 50 10 JKGE CC(C)(C)OC(=O)N1CCC[C@@](CI)(OCc2cc(F)ccc2C(F)F)C1 2363550676 GNXAAHPTOYGFTK-IBGZPJMESA-N 499.311 5.485 50 10 JKGE CCCC1CC([C@@H](Br)c2c(C)cc(Br)c(OC)c2Br)C1 2365215862 OCCHQFXCOWFPAE-QIMFLAQGSA-N 469.055 6.791 50 10 JKGE Clc1ccc(CN2CCC[C@]3(CBr)CCC[C@H]23)c(I)c1 2366700448 XQYZIUOCIOJWGD-HOTGVXAUSA-N 468.604 5.474 50 10 JKGE CCOc1cc(/C=C(/C#N)C(=O)Nc2ccc(Cl)cc2[N+](=O)[O-])cc(Br)c1OCC 6600396 AUIMWOFAERXIJI-QPEQYQDCSA-N 494.729 5.354 50 10 JKGE Cc1ccccc1C(=O)Nc1ccc(C(=O)NN=Cc2ccccc2OCc2ccccc2)cc1 27520000 BQZRTOQLVSNAJV-UHFFFAOYSA-N 463.537 5.590 50 10 JKGE CCOc1cc(/C=C(/C#N)C(=O)Nc2ccccc2C(=O)OC)ccc1OCc1ccc(Cl)cc1 33406757 LWHGTGJTZRMWGT-ZHZULCJRSA-N 490.943 5.650 50 10 JKGE N#C/C(C(=O)Nc1ccc(F)cc1)=C1/S[C@@H](Cc2ccc(Cl)cc2)C(=O)N1c1ccc(F)cc1 33451448 BHCBUUPKWNRUKL-JSIHEXFSSA-N 495.938 5.683 50 10 JKGE CCOc1cc(/C=C(/C#N)C(=O)Nc2ccc([N+](=O)[O-])cc2)ccc1OCc1ccc(C)cc1 33759620 HBIUQXMROSFHFS-STZFKDTASA-N 457.486 5.427 50 10 JKGE CCOc1ccc(NC(=O)/C(C#N)=C\c2cn(-c3ccccc3)nc2-c2cccc(OC)c2)cc1 35446342 KMDNPXIQDMUVSM-PGMHBOJBSA-N 464.525 5.492 50 10 JKGE COc1ccc(-c2nn(-c3ccccc3)cc2/C=C(\C#N)C(=O)Nc2ccc(C(C)C)cc2)cc1 35518862 VVECRUFQTYKOAU-HAVVHWLPSA-N 462.553 6.217 50 10 JKGE CC(C)c1ccc(O[C@@H](C)C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@H]3c2ccc(C(C)C)cc2)cc1 38649652 NCKGVZCXTSYYCB-WRONEBCDSA-N 496.607 6.524 50 10 JKGE CCCCOc1ccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4ccccc4OC)ccc32)cc1 38650754 YTAHHKUIAKPUDC-SANMLTNESA-N 470.525 5.311 50 10 JKGE C=CCOc1ccc(C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@@H]3c2ccc(Cl)cc2)cc1 38651365 JOHVJUCLYOIEON-XMMPIXPASA-N 458.901 5.342 50 10 JKGE COc1cccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4oc5ccc(C)cc5c4C)ccc32)c1 38687356 DEUQKGRRHHORMM-VWLOTQADSA-N 466.493 5.496 50 10 JKGE Cc1c(C(=O)Nc2ccccc2C(F)(F)F)oc2c1/C(=N/NC(=O)c1ccc(Cl)cc1)CCC2 40811634 RDSMPCKDXDKFFM-UXHLAJHPSA-N 489.881 5.983 50 10 JKGE Cc1c(C(=O)Nc2cccc3ccccc23)oc2c1/C(=N/NC(=O)Cc1ccccc1)CCC2 40815789 TZAYZURAAGCESF-JJKYIXSRSA-N 451.526 5.393 50 10 JKGE CCCCOc1ccc(/C=C(\C#N)C(=O)Nc2nc(-c3ccc(OC(C)C)cc3)cs2)cc1 40927353 OZFNSWIXPNSWEW-RCCKNPSSSA-N 461.587 6.322 50 10 JKGE CCOc1ccc([C@@H](O)CCC(=O)N/N=C\c2cc(C)n(-c3ccc(N(CC)CC)cc3)c2C)cc1 58894560 SGMOXNGBQKNYKY-ASYBXRLASA-N 490.648 5.303 50 10 JKGE Cc1cc(/C=N/NC(=O)Nc2ccc(Br)cc2)c(C)n1-c1ccc(C(=O)O)c(Cl)c1 59679120 YJOBZUIRMHFUGT-BHGWPJFGSA-N 489.757 5.364 50 10 JKGE COc1ccc(C(=O)N/N=C(\C)C(c2ccccc2)c2ccccc2)cc1I 66202550 OPLOBRBPIYMTNE-PCLIKHOPSA-N 484.337 5.238 50 10 JKGE Cl[C@H](c1ccc(I)cc1)c1cc(Br)sc1Br 71087861 CQAVSFZCWDDKLT-SNVBAGLBSA-N 492.401 6.206 50 10 JKGE CC(C)OC(=O)c1ccsc1NC(=O)/C(C#N)=C/c1ccccc1OC/C=C\c1ccccc1 96438750 GNCLCUKMZRXPHZ-XXCXEOGVSA-N 472.566 5.951 50 10 JKGE CCCCCCCOc1ccc(C(=O)NNC(=O)CCC(=O)Nc2cccc(Cl)c2C)cc1 100153630 SQHPECQZEOOTDL-UHFFFAOYSA-N 474.001 5.178 50 10 JKGE Fc1cc([C@@H](Br)c2cc(Cl)c(Br)s2)ccc1Br 127587929 ZALGLALABKXIJZ-SNVBAGLBSA-N 463.391 6.550 50 10 JKGE Cc1ccc([C@@H](Cl)c2cc(Br)sc2Br)c(Br)c1 163905565 LIQYGGKUCJNHNO-LLVKDONJSA-N 459.428 6.672 50 10 JKGE COc1ccc(/C=C\C(=O)Oc2ccc(/C=C(\C#N)c3nc(-c4ccco4)cs3)cc2)cc1 210607375 NYZITXKNBSSPAX-YRAILMQZSA-N 454.507 6.095 50 10 JKGE CCCCCCN1C(=O)C(C#N)=C(C)/C(=C/c2ccc(OCCC(C)C)c(OCC)c2)C1=O 214245992 NAVHKEQMAAXDOH-JWGURIENSA-N 452.595 5.683 50 10 JKGE Brc1cc([C@@H](Br)[C@@H]2CCc3ccccc3C2)sc1Br 223618809 AUKBMMLRGXDWRC-RISCZKNCSA-N 465.048 6.514 50 10 JKGE COc1cc(C)c(Br)cc1[C@H](Br)c1cccc(C)c1Br 234805915 XETNNOBOWZYXQB-MRXNPFEDSA-N 463.007 6.321 50 10 JKGE Cc1cc([C@H](Br)c2cc(Br)sc2Br)cc(C)c1F 235857791 DUAQGORIVUESBB-NSHDSACASA-N 457.000 6.513 50 10 JKGE Cc1ccc([C@@H](Br)c2cc(Br)ccc2I)c(C)c1 235921106 LQPBSLKTBQGEIC-OAHLLOKOSA-N 479.981 6.155 50 10 JKGE Cc1cc(C=NNC(=O)c2cc3c(ccc4ccccc43)o2)c(C)n1-c1sc2c(c1C#N)CCCC2 252623418 OQTUCONHSXDZSB-UHFFFAOYSA-N 492.604 6.569 50 10 JKGE CCCCCCCCOc1ccc(-c2cc(C(=O)NN=Cc3ccc(N(C)C)cc3)[nH]n2)cc1 254346780 DAUMEAGEHMGWCA-UHFFFAOYSA-N 461.610 5.646 50 10 JKGE COc1ccc(-c2nnc(SCC(=O)NN=C/C(C)=C\c3ccco3)n2-c2ccc(C)cc2)cc1 254422223 YSIWMEBNOITNFD-QCNVSVQSSA-N 487.585 5.142 50 10 JKGE CC(=NNC(=O)COc1ccc(Cl)c(C)c1)c1cccc(NC(=O)c2sccc2C)c1 254626297 CPRIEAITJNGLOP-UHFFFAOYSA-N 455.967 5.190 50 10 JKGE O=C(NN=Cc1cn(-c2ccccc2)nc1-c1cc2ccccc2o1)c1cc2c(s1)CCCC2 254761446 CBRDXHZEGUSSTP-UHFFFAOYSA-N 466.566 5.990 50 10 JKGE COc1cc2c(cc1NC(=O)CC(C)=NNC(=O)c1cc3ccccc3cc1O)oc1ccccc12 263625677 CQUSAEXWLSNOLM-UHFFFAOYSA-N 481.508 5.588 50 10 JKGE CC(C)COc1ccc(C=NNC(=O)c2ccc([C@H]3SCC(=O)N3Cc3ccccc3)cc2)cc1 263627296 ANXGDUMSYFYVHL-MUUNZHRXSA-N 487.625 5.260 50 10 JKGE CC(C)(C)[Si](C)(C)OCCc1ccc([C@H]2CCCCN(CCO[Si](C)(C)C(C)(C)C)C2)cc1 616604311 LONUWUCHDDCUAE-SANMLTNESA-N 491.909 7.842 50 10 JKGE CC(C)(C)OC(=O)NCCN1CCCCC[C@@H]1c1cccc(CO[Si](C)(C)C(C)(C)C)c1 616624530 QMJKKCHVQVIGEY-HSZRJFAPSA-N 462.751 6.650 50 10 JKGE CC(C)(C)[Si](C)(C)OCCN1CCOC[C@@H](c2ccc(CO[Si](C)(C)C(C)(C)C)cc2)C1 616660059 KKGGXBJHNTZBQJ-DEOSSOPVSA-N 479.854 6.646 50 10 JKGE CN(C(=O)OC(C)(C)C)c1cccc([C@@H]2COCCN(CCO[Si](C)(C)C(C)(C)C)C2)c1 616661703 VVQKBOUJLLQAFR-NRFANRHFSA-N 464.723 5.496 50 10 JKGE FC(F)(F)c1cc(Cl)ccc1[C@H](Cl)c1cc(Br)c(Br)s1 712620362 QWCXOWQXHIOXRE-JTQLQIEISA-N 468.947 7.274 50 10 JKGE CC1(C)CC[C@@H](COc2c(Br)cc(Br)cc2CBr)OC1 713594661 UQCHXRCBLHXBCQ-LBPRGKRZSA-N 471.027 5.691 50 10 JKGE Cc1sc([C@H](Br)c2ccc(Cl)c(Br)c2)c(C)c1Br 724907656 AZQOWMMABABXOV-GFCCVEGCSA-N 473.455 7.028 50 10 JKGE Cc1ccc(Cl)cc1NC(=O)/C(C#N)=C\c1cc(Br)ccc1OCc1ccccc1 1084010386 UTTGYLSBIZIOPR-ODLFYWEKSA-N 481.777 6.536 50 10 JKGE O=C(O)COc1ccc(C=NNC(=O)Nc2ccc(C34CC5CC(CC(C5)C3)C4)cc2)cc1Cl 1084434752 CMQJPGCTAWDPAS-UHFFFAOYSA-N 481.980 5.427 50 10 JKGE Cc1cc(OC(=O)c2oc3c(c2C)C(=NNC(=O)c2ccccc2Cl)CCC3)ccc1Cl 1772744296 UMIWRLPNVAYOCZ-UHFFFAOYSA-N 471.340 5.893 50 10 JKGE Cc1c(C(=O)Oc2ccccc2)oc2c1C(=NNC(=O)c1ccc(Br)cc1)CCC2 1772744324 VQVACJOGAYOTCD-UHFFFAOYSA-N 467.319 5.040 50 10 JKGE N#CC1=C(N)Oc2c(c(C(F)(F)F)nn2Cc2cccc(Cl)c2)[C@@H]1c1ccccc1Cl 1865685948 PKFBBDHPHHGZLO-MRXNPFEDSA-N 465.262 5.475 50 10 JKGE N#CC1=C(N)Oc2c(c(C(F)(F)F)nn2Cc2cccc(Cl)c2)[C@H]1c1cc(Cl)ccc1O 1865689818 XDQXERHEYQRTDL-INIZCTEOSA-N 481.261 5.181 50 10 JKGE COc1ccc(-c2nn(-c3cccc(Cl)c3)c3c2[C@@H](c2sccc2C)C(C#N)=C(N)O3)cc1 1865699184 NGZFPTAJXLGHDZ-FQEVSTJZSA-N 474.973 5.789 50 10 JKGE Cc1nn(-c2ccccc2)c2c1[C@H](c1ccccc1OCc1ccc(Cl)cc1)C(C#N)=C(N)O2 1865700984 IUWKQDZGWNPDJT-RUZDIDTESA-N 468.944 5.631 50 10 JKGE Cc1ccc2nc3c(cc2c1)CCN3c1cc(Nc2ccc(SC#N)cc2)nc(C(C)(C)C)n1 1868342030 IFCOBPSGEXIPBC-UHFFFAOYSA-N 466.614 6.642 50 10 JKGE CC(C)[C@@H]1c2ccccc2CCN1c1cc(Nc2ccc(SC#N)cc2)nc(-c2ccccc2)n1 1868364643 CCOHICLAXXVTPA-MUUNZHRXSA-N 477.637 7.220 50 10 JKGE N#CSc1ccc(Nc2cc(N3CCC[C@@H]3c3nc4c([nH]3)CCCC4)nc(-c3cccnc3)n2)cc1 1868566154 VESDPDWAMWOKMB-HSZRJFAPSA-N 494.628 5.799 50 10 JKGE CCCc1ccc(OC/C(O)=C(\C#N)c2nc(-c3cc(C(C)(C)C)ccc3OC)cs2)cc1 1872751639 QPZDPUCAJVKMRG-GYHWCHFESA-N 462.615 6.940 50 10 JKGE CCOc1ccc(OCC)c(-c2csc(/C(C#N)=C(\O)c3ccc([N+](=O)[O-])c(C)c3)n2)c1 1872754775 ILUAHXSGRNURTR-PYCFMQQDSA-N 451.504 5.774 50 10 JKGE CSCC[C@H](/C(O)=C(\C#N)c1nc(-c2ccc(C)c(C)c2)cs1)N1C(=O)c2ccccc2C1=O 1872756570 QBDZTSXYMACGNG-LAGVDGIJSA-N 489.622 5.638 50 10 JKGE COc1c(C)cc(Cl)cc1-c1csc(/C(C#N)=C(\O)CNC(=O)c2ccc(C(C)(C)C)cc2)n1 1872756845 DCGOBZDWWCHFEB-XDOYNYLZSA-N 496.032 6.301 50 10 JKGE COc1cc(Cl)c(C)cc1-c1csc(/C(C#N)=C(O)/C=C/c2ccc(C(C)(C)C)cc2)n1 1872757039 NVGFIIIKUJOQDV-OQEPHVENSA-N 465.018 7.584 50 10 JKGE CCN(Cc1ccccc1)c1ccc(/C=C(\C#N)c2nc(-c3cc(C)cc(C)c3OC)cs2)cc1 1872792920 XPDWFGADIXHAQF-KOEQRZSOSA-N 479.649 7.526 50 10 JKGE CC(C)(SC[C@H]1C[C@@H]1Cl)[C@@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)O 1893108434 SHKJYOZSEOWWHY-OREJSRFESA-N 459.995 5.117 50 10 JKGE Fc1cc(Br)c2nc(CCl)n(-c3ccccc3I)c2c1 1912679804 IVWOAFCNBQMALG-UHFFFAOYSA-N 465.491 5.271 50 10 JKGE Clc1ccc(C[C@H](Br)c2cc(Br)cc(Br)c2)nc1 1918237897 AOFUOGSVXCRTPZ-ZDUSSCGKSA-N 454.387 5.939 50 10 JKGE Cc1c(Br)sc([C@@H](Br)c2cnc(Cl)n2C)c1Br 1922906152 GZSATGPGRQSEMM-ZETCQYMHSA-N 463.420 5.453 50 10 JKGE COc1cccc([C@@H](Br)c2c(Br)sc(Br)c2Cl)c1F 1923047480 CADASJGMHQTKEQ-MRVPVSSYSA-N 493.417 6.559 50 10 JKGE Cc1cccc(C)c1[C@H](Br)c1c(Br)sc(Br)c1Cl 1923049119 KWTGDYLWQLIRSG-JTQLQIEISA-N 473.455 7.028 50 10 JKGE CCCC[C@@H](CC)[C@H](Br)c1c(Br)sc(Br)c1Cl 1923049141 LCKOXFFGGXSHJF-APPZFPTMSA-N 467.492 7.579 50 10 JKGE Fc1cc(Cl)cc([C@@H](Cl)c2c(Br)sc(Br)c2Cl)c1F 1923054878 LHSROKGLNJIBKF-SSDOTTSWSA-N 471.375 7.186 50 10 JKGE COc1cc(Br)ccc1[C@H](Br)[C@@H](C)c1ccncc1Br 1924038364 DAASDAFXEKJEFX-BJOHPYRUSA-N 463.995 5.855 50 10 JKGE O=C(NC[C@@H]1CCC2(CCC2)[C@H]1Br)c1csc(Br)c1Br 1924800726 XBHGPVVWLMROOG-KWQFWETISA-N 486.067 5.347 50 10 JKGE Brc1ccsc1[C@H](Br)c1cc(C2CC2)c(Br)s1 1945804941 ZXLVDKJJLSBZHE-SNVBAGLBSA-N 457.050 6.696 50 10 JKGE COCC1([C@@H](Cl)c2c(Br)sc(Br)c2Br)CCC1 1951246336 ZBPVICVCVFWPKH-QMMMGPOBSA-N 467.448 6.132 50 10 JKGE Cc1cc(C(=O)N(Cc2ccccc2)C(C)(C)CBr)ccc1I 1995257099 QPHKRRWYPYSNHR-UHFFFAOYSA-N 486.191 5.416 50 10 JKGE CC(C)[C@H](CBr)N(Cc1ccccc1)C(=O)c1ncc(Br)cc1F 2002339387 KFLGTZVAZLKLQA-INIZCTEOSA-N 458.169 5.045 50 10 JKGE CCc1cc(Br)c([C@H](Br)c2cc(Cl)cc(Br)c2)s1 2029232459 IVLFATPACOYVHI-GFCCVEGCSA-N 473.455 6.973 50 10 JKGE Cc1cc(Br)c(CBr)c(N(Cc2ccccc2)[C@H]2COC(C)(C)C2)c1 2053218922 LCBGKRDQPGMAAW-QGZVFWFLSA-N 467.245 6.227 50 10 JKGE O=C(N[C@@H](CBr)c1cccs1)c1cc(Br)sc1Br 2055479176 JJHUZBXJPCTOPR-ZETCQYMHSA-N 474.037 5.201 50 10 JKGE C[C@@H](c1cccs1)N(Cc1ccccc1)S(=O)(=O)c1csc(CBr)c1 2059284283 JAPCUHXEXBYMQX-AWEZNQCLSA-N 456.452 5.657 50 10 JKGE Cc1cc(CBr)cc(S(=O)(=O)N(Cc2ccccc2)CC(F)F)c1Br 2059286053 HIWYUBHUHCGDNK-UHFFFAOYSA-N 497.199 5.108 50 10 JKGE Cc1cc([C@@H](Br)c2cc(Cl)c(Cl)c(Cl)c2Cl)c(Br)s1 2101000300 BCKYWQUMLLHIJR-QMMMGPOBSA-N 483.867 7.917 50 10 JKGE C[C@H]1CN(C(=O)c2scc(Br)c2Br)CC[C@H]1CCBr 2115836921 PCRLYZJPDPVFJW-DTWKUNHWSA-N 474.056 5.156 50 10 JKGE Cc1cc(Br)c(C)c([C@H](Br)C[C@@H]2CC[C@@H]3C[C@H]23)c1Br 2136369587 KEFKYGUEXBOHMX-OWTLIXCDSA-N 451.040 6.701 50 10 JKGE CO[C@H]1C[C@@H](C[C@H](Br)c2c(C)c(Br)cc(C)c2Br)C1 2136376267 DKDPMYLSLMHDOZ-LOWVWBTDSA-N 455.028 6.080 50 10 JKGE Cc1cc([C@@H](Cl)c2c(Br)cc(F)c(Cl)c2F)c(Br)s1 2136967437 UKJSIVUQAVAHOU-SECBINFHSA-N 450.957 6.841 50 10 JKGE Fc1c(Br)cccc1[C@H](Br)c1cc(Br)c2c(c1)CCO2 2146629776 TXPZRWVQUIAHMJ-CYBMUJFWSA-N 464.954 5.770 50 10 JKGE O=C(c1cc(Br)cc(Br)c1)N1CCC[C@H](CCBr)CC1 2149744848 QJEZHUVRXOMLBO-LLVKDONJSA-N 468.027 5.239 50 10 JKGE Cc1cc(Br)c([C@@H](Br)C2CC3(C2)CC(F)(F)C3)cc1Br 2158845001 LEFCLSDGLBHXOI-ZDUSSCGKSA-N 472.993 6.782 50 10 JKGE ClCCc1nc2cc(Br)c(Cl)cc2n1[C@@]12C[C@H]1CN(Cc1ccccc1)C2 2160065321 JLTXXESZVQHDGG-YCRPNKLZSA-N 465.222 5.465 50 10 JKGE CCOc1ccc([C@@H](Br)c2c(C)nn(C)c2Br)c(Br)c1 2185749076 HZEYDJNUHZGVGY-CYBMUJFWSA-N 466.999 5.137 50 10 JKGE ClCc1nc2cccc(Br)c2n1-c1ccc(Br)c(Br)c1 2185911671 GCVHDFFRMFOJPP-UHFFFAOYSA-N 479.397 6.052 50 10 JKGE COCc1ccc([C@@H](Br)c2cc(Br)c(C)cc2Br)cc1 2191241584 VZMHESUQBWXSBF-MRXNPFEDSA-N 463.007 6.151 50 10 JKGE CCCN[C@@H](c1c(C)c(Br)cc(C)c1Br)C1CC(Br)C1 2201058558 CRSAUGYBVMVJMF-ZEPSKSRBSA-N 468.071 6.043 50 10 JKGE Fc1cc(Br)c([C@H](Br)c2cc3cscc3s2)c(F)c1Cl 2201609960 CGAFUZKGTFXYGO-LLVKDONJSA-N 458.574 7.141 50 10 JKGE CCn1ncc(Br)c1[C@@H](Br)c1cc(Br)cc(C)c1OC 2206580267 QGGSUXPQQMNWSK-LBPRGKRZSA-N 466.999 5.229 50 10 JKGE Cc1cc(Br)c([C@@H](Cl)c2sc(Br)cc2Br)s1 2211911711 GMYXXKCCUUCPHD-MRVPVSSYSA-N 465.457 6.734 50 10 JKGE C[C@H]1[C@@H](c2sc(Br)c(Br)c2Br)CCC[C@H]1Cl 2212198107 MJKHPAOWZODWDN-LYFYHCNISA-N 451.449 6.547 50 10 JKGE Cl[C@H](c1csc(I)c1)c1ccc2c(c1Br)CCO2 2222172252 IJPKGDYLIWCVRL-CYBMUJFWSA-N 455.542 5.378 50 10 JKGE CCc1nn(C)c([C@H](Br)c2c(C)sc(Br)c2C)c1Br 2225869599 YWARAHZVCMKHSH-LLVKDONJSA-N 471.056 5.670 50 10 JKGE Clc1ccc(Br)c([C@H](Br)Cc2ccc(Br)cc2Cl)c1 2229155016 YSIOMXAOZFELCH-CYBMUJFWSA-N 487.844 7.197 50 10 JKGE CCCCc1ccc([C@H](Cl)c2ccc(I)c(Br)c2)s1 2264362349 XOYYESKWBJPGNT-OAHLLOKOSA-N 469.613 6.786 50 10 JKGE COc1ccc([C@@H](Cl)c2cc(Br)c(Cl)s2)c(Br)c1Cl 2268268070 LTLWBXUMPSTJOM-SNVBAGLBSA-N 465.421 6.917 50 10 JKGE COc1ccc([C@H](Br)c2scc(Cl)c2Cl)c(Br)c1Cl 2268277412 LKLVZNYIMBGXOQ-VIFPVBQESA-N 465.421 6.964 50 10 JKGE CC[C@@H](C[C@@H](Br)Cc1cc(Br)cc(Br)c1)C(C)(C)C 2277950345 VAYAPACQBZBHNQ-STQMWFEESA-N 455.072 6.980 50 10 JKGE FC1(F)CCC[C@H]([C@@H](Br)Cc2cc(Br)cc(Br)c2)C1 2277961537 VIOKAWBXZMFSGF-GWCFXTLKSA-N 460.982 6.343 50 10 JKGE O=C(N[C@@H]1CCCC[C@H]1CCBr)c1ccc(Cl)c(I)c1 2283653056 BWSXWYFDVBWZFN-IINYFYTJSA-N 470.576 5.018 50 10 JKGE BrCC(CBr)(CCc1ccccc1)Cc1sncc1Br 2286719622 NPLFWHWAFXVVNV-UHFFFAOYSA-N 482.079 5.857 50 10 JKGE C[C@@H](Br)CN(CC(C)(C)C)C(=O)c1cc(Br)ccc1Br 2288058660 IKXVNNICSGYEIL-SNVBAGLBSA-N 470.043 5.483 50 10 JKGE Fc1cc(Br)c(F)c(Br)c1[C@H](Br)[C@@H]1CC[C@H]2[C@H]1C2(F)F 2288481094 QMZWLQYYAVXJQN-MAMGYMNZSA-N 480.919 6.217 50 10 JKGE Cc1cc(Cl)cc([C@@H](Br)c2c(F)cc(Br)c(F)c2Br)c1 2288493386 RQGKTALHZQSJQM-GFCCVEGCSA-N 489.379 6.936 50 10 JKGE Fc1ccc([C@H](Cl)c2c(F)cc(Br)c(F)c2Br)c(Br)c1 2288496533 IGJIZWOEDMAUSN-LBPRGKRZSA-N 493.342 6.720 50 10 JKGE Cc1c(F)ccc([C@@H](Br)Cc2cc(Br)cc(Br)c2)c1C 2295279157 KUQWIVDTZRJLSK-HNNXBMFYSA-N 464.998 6.646 50 10 JKGE CCCc1cc(C(=O)OC)c(NC(=O)C(C#N)=Cc2c[nH]nc2-c2ccc(Cl)cc2)s1 2295347854 CESYGPGCVWPBKW-UHFFFAOYSA-N 454.939 5.076 50 10 JKGE COc1c(Br)cc(Cl)cc1[C@H](Cl)c1sc(C)c(C)c1Br 2295356477 BJKLCIBFJCHDJC-LBPRGKRZSA-N 459.030 6.880 50 10 JKGE Cc1cc(C=C(C#N)C(=O)OCc2nnc(-c3ccc(Br)s3)o2)c(C)n1CC(C)C 2297421291 DUGGCBXJTFIQHD-UHFFFAOYSA-N 489.395 5.285 50 10 JKGE CCOC(=O)NN=C1C=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 2297504848 ZGBFIPQSPKDRKC-TXRICIBTSA-N 454.655 6.427 50 10 JKGE Cl[C@@H](c1ccccc1OCc1ccccc1)c1cc(Br)ccc1OCc1ccccc1 2299501592 PMCUZIAEKVLQQM-MHZLTWQESA-N 493.828 7.935 50 10 JKGE N#CC(=Cc1ccc(-c2cc(Cl)ccc2Cl)o1)C(=O)Nc1cccc(Cl)c1Cl 2313571415 VWOKKNTUSCRYLX-UHFFFAOYSA-N 452.124 7.106 50 10 JKGE COc1cc(C=C(C#N)C(=O)Nc2ccc(Cl)c(Cl)c2)cc(Br)c1OC 2313630553 BQBUIZNBDSARHQ-UHFFFAOYSA-N 456.123 5.319 50 10 JKGE N#CC(=Cc1ccc(OC(=O)c2cccc3ccccc23)cc1)C(=O)Nc1ccc(Cl)cc1 2313630671 DLCALLQGEORLCE-UHFFFAOYSA-N 452.897 6.258 50 10 JKGE COc1cc(C=C2C(=O)N(Cc3ccc(C)cc3)C(=O)C(C#N)=C2C)ccc1OCc1ccccc1F 2314616444 AOOMLDDKRGSQDR-UHFFFAOYSA-N 496.538 5.514 50 10 JKGE CCCCCCOc1ccc(C=C(C#N)C(=O)Nc2ccc(C(=O)OCCCC)cc2)cc1OC 2314728888 PMZHQKSCFWXOFK-UHFFFAOYSA-N 478.589 6.157 50 10 JKGE CCN[C@H](c1c(Cl)cc(Br)c(F)c1Br)[C@@H]1C[C@H]1Br 2315458561 NZTSWTVJACPWRP-YZGOCOMISA-N 464.398 5.438 50 10 JKGE COc1sc([C@@H](Cl)c2ccc(Cl)cc2I)cc1Br 2317776700 YZHNAQJYDWROJQ-NSHDSACASA-N 477.976 6.105 50 10 JKGE FC1(F)CCC[C@@H]2[C@@H]([C@@H](Br)c3c(Cl)sc(Br)c3Cl)[C@@H]21 2330159608 CDTSJXOUTOKJHK-SJNFNFGESA-N 454.989 6.935 50 10 JKGE CC(C)OC(=O)c1ccc(C(C#N)=Cc2cc(Br)c(O)c(Br)c2)o1 2331049716 KWSBOAMTENCWGJ-UHFFFAOYSA-N 455.102 5.140 50 10 JKGE Cc1ccc(S(=O)(=O)NCC(O)=C(C#N)c2nc(-c3ccc(Cl)cc3Cl)cs2)cc1 2331254446 MPBFCWZITKBCMC-UHFFFAOYSA-N 480.398 5.197 50 10 JKGE CCOc1cc(C(O)=C(C#N)c2nc(-c3ccccc3Cl)cs2)cc(OCC)c1OCC 2331265998 QEZSLILVUBZMFK-UHFFFAOYSA-N 470.978 6.609 50 10 JKGE COc1cc(-c2csc(C(C#N)=C(O)C=Cc3ccc(C(C)(C)C)cc3)n2)c(OC)cc1Cl 2331377006 VTHSFRFAAGNASN-UHFFFAOYSA-N 481.017 7.284 50 10 JKGE CCOc1ccc(-c2csc(C(C#N)=C(O)[C@H](C)Oc3ccccc3C(C)C)n2)c(OCC)c1 2331386515 HHKDFMWCNVQFNE-SFHVURJKSA-N 478.614 6.991 50 10 JKGE N#CC(=Cc1ccccc1OCc1ccc(Cl)cc1)c1nc(-c2cccc(Cl)c2)cs1 2331440178 LNWFALVGBXPYID-UHFFFAOYSA-N 463.389 7.760 50 10 JKGE CCOc1c(C=C(C#N)c2nc(-c3ccc(Oc4ccccc4)cc3)cs2)cccc1OC 2331464580 TXFQICPUKVYPQI-UHFFFAOYSA-N 454.551 7.074 50 10 JKGE Fc1cc(Cl)c([C@H](Cl)c2cc(Br)ccc2OCc2ccccc2)cc1F 2336037882 HZMIRCMTFMEHBY-FQEVSTJZSA-N 458.129 7.288 50 10 JKGE Cn1cnc(Br)c1[C@@H](Br)c1csc2c(Br)cccc12 2337329266 AEMCHUOLNQOCEV-JTQLQIEISA-N 465.008 5.644 50 10 JKGE COc1c(F)cc([C@H](Br)c2csc(Br)c2Br)cc1F 2344297133 UVVZWAKVFZTHHS-VIFPVBQESA-N 476.962 6.044 50 10 JKGE C[C@H]1CCC[C@@](CCl)(NCc2ccc(I)c(Br)c2)C1 2349846148 VSEVBJGXVHTZCY-XHDPSFHLSA-N 456.593 5.331 50 10 JKGE CC1(C)CCCC[C@@]1(CBr)Cc1cc(I)ccc1Cl 2352422883 AHVFJBIIPWOVLG-INIZCTEOSA-N 455.605 6.469 50 10 JKGE CCc1ccccc1[C@H](Br)c1c(Cl)cc(Br)c(F)c1Br 2362231372 WOMBKGNHHKKAMF-ZDUSSCGKSA-N 485.416 7.051 50 10 JKGE FC(F)(F)[C@]12C[C@]([C@@H](Br)c3ccc(Br)cc3Br)(CO1)C2 2363838411 JEYOMOZVSJJESG-SRVKXCTJSA-N 478.928 5.759 50 10 JKGE COc1c(Br)cc(C)c([C@H](Br)CC2CC(OC)C2)c1Br 2365216554 VNQZKOBGTNKQBA-VQXHTEKXSA-N 471.027 5.780 50 10 JKGE Cc1sc([C@H](Br)CCc2cc(Cl)cc(Cl)c2)c(C)c1Br 2366901692 CBQJPLRPJASRIL-CYBMUJFWSA-N 457.058 7.503 50 10 JKGE O=C(N[C@@H](CCBr)COCc1ccccc1)c1ccc(Cl)cc1C(F)(F)F 2369432095 ZQVICDNIKJPSSJ-HNNXBMFYSA-N 464.709 5.459 50 10 JKGE CCOC(=O)c1c(NC(=O)/C(C#N)=C/c2ccc(C(C)C)cc2)sc(C)c1-c1ccc(Cl)cc1 1974866 CFAHRXPMAVPCKX-KGENOOAVSA-N 493.028 7.223 50 10 JKGE Cc1cccc(CS/C(Nc2ccc(C)c(Cl)c2)=C(\C#N)S(=O)(=O)c2ccccc2)c1 20325271 VELRSEJQKFEFTJ-WCWDXBQESA-N 469.031 6.469 50 10 JKGE N#C/C(=C/c1cccc(OC(=O)c2ccc(S(=O)(=O)N3CCCC3)cc2)c1)c1cccc(Cl)c1 31902478 CBLKQPNOGKYOPG-JCMHNJIXSA-N 492.984 5.408 50 10 JKGE Cc1ccc(C(C)C)c(OCCOc2ccccc2/C=C(/C#N)C(=O)Nc2ccccc2C)c1 33551388 XUFNIAYWXFNILH-MOHJPFBDSA-N 454.570 6.430 50 10 JKGE Cn1cc(/C=C(C#N)\C(O)=N\c2ncc(Cc3cc(Cl)ccc3Cl)s2)c2ccccc21 33688988 ODIOMDUTOZAYCH-NVNXTCNLSA-N 467.381 6.728 50 10 JKGE CCCCOc1ccc(-c2nn(-c3ccccc3)cc2/C=C(/C#N)C(=O)N2CCCCC2)cc1Cl 35447451 RPRHZMIAGZQLPG-XLNRJJMWSA-N 489.019 6.291 50 10 JKGE Cc1ccc(C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@H]3c2ccc(Cl)cc2Cl)cc1 38655103 YJUXBINWHLVRCB-QFIPXVFZSA-N 451.309 5.739 50 10 JKGE CCCCCOc1ccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4cccc(C)c4)ccc32)cc1OC 38660221 DOOCDKVYKXXCFF-MUUNZHRXSA-N 498.579 6.010 50 10 JKGE N#C/C(=C\c1ccc(OC(=O)/C=C/c2ccco2)cc1)c1nc(-c2cc3ccccc3oc2=O)cs1 39868031 YHRDAYPVRKGCIY-IZOCETQSSA-N 492.512 6.192 50 10 JKGE Cc1cccc(C(=O)N/N=C2\CCCc3oc(C(=O)Oc4ccc(Cl)c(C)c4)c(C)c32)c1 40811422 IRQNLHYGKVWEDB-NHFJDJAPSA-N 450.922 5.548 50 10 JKGE Cc1cccc(NC(=O)c2oc3c(c2C)/C(=N/NC(=O)c2ccc(Cl)cc2Cl)CCC3)c1 40813727 LUULCBOUUZDVJV-TURZUDJPSA-N 470.356 5.926 50 10 JKGE Cc1ccc2c(CC(=O)N/N=C3\CCCc4oc(C(=O)N(C)c5ccccc5)c(C)c43)coc2c1C 40826700 IEOVQKHTQDMUOT-JJKYIXSRSA-N 483.568 5.627 50 10 JKGE COc1cc(/C=N/NC(=O)c2ccc(C(C)(C)C)cc2)ccc1OCc1c(Cl)cccc1Cl 40888729 CZPQTWUKIVYVHG-WKULSOCRSA-N 485.411 6.642 50 10 JKGE Cc1ccc(COc2ccccc2/C=C(/C#N)C(=O)Nc2sc3c(c2C#N)CCCC3)cc1 59116613 IBAKPGYZQUOKEI-STZFKDTASA-N 453.567 5.932 50 10 JKGE COC(=O)c1c(-n2c(C)cc(/C=C(\C#N)C(=O)NC3CCCCC3)c2C)sc2c1CCCC2 59535126 VUOHSPNYBJDVHE-XMHGGMMESA-N 465.619 5.177 50 10 JKGE C[C@H](CCCCl)[C@H]1CC[C@H]2[C@@H]3CC=C4C[C@@H](O[C@@H]5CCCCO5)CC[C@]4(C)[C@H]3CC[C@@]21C 96031312 WALWKGORTHROKI-GIZFXVQRSA-N 463.146 8.132 50 10 JKGE in-vitro Fc1cc(Br)ccc1C[C@H](CBr)Cc1cccc(Br)c1 97184803 NNQWXYTUTTULNN-GFCCVEGCSA-N 464.998 6.147 50 10 JKGE COc1ccc(CCN2C(=O)C(C#N)=C(C)/C(=C\c3ccc(OCc4ccc(F)cc4)cc3)C2=O)cc1 101340353 KYQNIIHNEJNKHM-WPWMEQJKSA-N 496.538 5.248 50 10 JKGE Fc1ccc(C(CBr)(CBr)Cc2ccc(Br)cc2F)cc1 118877331 JLTYDORJDIHLLN-UHFFFAOYSA-N 482.988 5.998 50 10 JKGE CCOc1ccc([C@H](Br)Cc2ccc(Cl)c(Cl)c2)c(Br)c1 123746272 JYLZZDYXGADDAB-CYBMUJFWSA-N 453.001 6.833 50 10 JKGE Cc1cc(F)cc([C@H](Br)c2cc(Br)c(C)cc2Br)c1 136947074 KFOWZAPYJSVQEY-HNNXBMFYSA-N 450.971 6.452 50 10 JKGE CCCCCOc1ccc(/C=C\C(=O)Oc2cccc(/C=C(/C#N)C(=O)OCC)c2)cc1OC 206679787 KOHRAEJDPDWSBD-UUNDFUHKSA-N 463.530 5.353 50 10 JKGE N#C/C(=C/c1ccc(-c2ccc(Cl)cc2[N+](=O)[O-])o1)C(=O)Nc1ccccc1C(F)(F)F 207925799 CKZZOFSXTVGLOX-XFXZXTDPSA-N 461.783 6.073 50 10 JKGE O=[N+]([O-])c1ccccc1C[C@@H](Br)c1ccc(Br)cc1Br 232478058 KJXLWZCXJWZDHV-GFCCVEGCSA-N 463.951 5.799 50 10 JKGE CCOc1ccc([C@@H](Br)c2csc(Br)c2)c(Br)c1 233820360 OGTCCWYUSYPIID-ZDUSSCGKSA-N 455.009 6.156 50 10 JKGE CC[C@H](Oc1ccccc1[C@H](C)CC)C(=O)NNC(=O)[C@H](C)Oc1ccc(Cl)cc1Cl 251311305 DTQUOEGBYQJTRF-VCBZYWHSSA-N 467.393 5.279 50 10 JKGE CC(=NNC(=O)c1c(-c2c(F)cccc2Cl)noc1C)c1ccc(NC(=O)c2cccnc2)cc1 252633108 VZLXJGRCVGNNGD-UHFFFAOYSA-N 491.910 5.244 50 10 JKGE COc1ccc(/C=C(\NC(=O)c2ccccc2)C(=O)NN=C(C)/C=C/C=C\c2ccccc2)cc1OC 254289144 FTDHOBOWEDRCEE-GXGBGOIRSA-N 495.579 5.236 50 10 JKGE CCOc1ccc(S(=O)(=O)Nc2ccc(C(=O)NN=C3C[C@H](C)CCC3=C(C)C)cc2)cc1 254440743 HHAGPPBFEAXQLG-GOSISDBHSA-N 469.607 5.128 50 10 JKGE CCCOc1ccc(C(=O)Oc2ccc(C=NNC(=O)c3cccc4ccccc34)cc2OC)cc1 254489240 CWJMRARHGPPRLX-UHFFFAOYSA-N 482.536 5.620 50 10 JKGE CCOc1cc(C=NNC(=O)c2cc3c(ccc4ccccc43)o2)c(Br)cc1OC 254521954 BTDSYHOQOLGBAL-UHFFFAOYSA-N 467.319 5.520 50 10 JKGE O=C(/C=C/c1ccccc1)Oc1ccc(C=NNC(=O)c2ccccc2OCc2ccccc2)cc1 254708942 VDGOURFKWGKCFX-YKXLSDGGSA-N 476.532 5.648 50 10 JKGE CCn1c(SCC(=O)NN=Cc2ccc(C(F)(F)F)cc2)nnc1-c1ccc(C(C)(C)C)cc1 254743311 YVLKMSRNAZCEST-UHFFFAOYSA-N 489.567 5.524 50 10 JKGE C[C@H](Cl)c1nc2cc(I)c(F)cc2n1C[C@H]1CCN(Cc2ccccc2)C1 380195786 FGARGDFGHCNMPF-HOCLYGCPSA-N 497.783 5.602 50 10 JKGE Cn1ncc([C@@H](Cl)c2ccc(Br)c3ccccc23)c1I 381894389 KGXOTCPSPOKGGT-AWEZNQCLSA-N 461.528 5.269 50 10 JKGE Brc1ccsc1[C@H](Br)c1cc(I)cc2c1OCC2 394146157 CNBAFEFFMGIPNK-LLVKDONJSA-N 499.993 5.534 50 10 JKGE ClCc1cc(OCc2cc(Cl)ccc2I)ccc1Br 405298221 LYUYDJBYFLNYMD-UHFFFAOYSA-N 471.947 6.025 50 10 JKGE CC(C)(C)OC(=O)NCCN1CCCC[C@@H]1c1cccc(CCO[Si](C)(C)C(C)(C)C)c1 616614445 GIJXSWPMIBHVER-HSZRJFAPSA-N 462.751 6.303 50 10 JKGE CC(C)(C)OC(=O)NCCN1CCOC[C@@H](c2ccc(CO[Si](C)(C)C(C)(C)C)cc2)C1 616663881 OLCAKPBHKBHRRV-QFIPXVFZSA-N 464.723 5.149 50 10 JKGE C[C@H](Cl)c1nc2ccc(F)c(Br)c2n1[C@H]1CN(Cc2ccccc2)C[C@@H]1C 689777223 CDDPGVIWAXRXNY-DEYYWGMASA-N 450.783 5.931 50 10 JKGE COCc1csc([C@H](Br)c2cc(Br)ccc2Br)c1 689988597 RJYCLCDDPRBRAG-CYBMUJFWSA-N 455.009 5.904 50 10 JKGE Cl[C@H](c1cc(Br)c(Br)s1)c1ccsc1Br 698670777 BELKDUVGSGSLHY-ZETCQYMHSA-N 451.430 6.425 50 10 JKGE FC(F)c1cscc1[C@H](Br)c1cc(Br)ccc1Br 717196134 PXBXPZTYVRHEFP-LLVKDONJSA-N 460.963 6.695 50 10 JKGE C[C@@H]1Cc2cc(Br)cc([C@H](Br)c3ccoc3Br)c2O1 720029379 BIGOWRFKNJTXFY-JMCQJSRRSA-N 450.952 5.612 50 10 JKGE O=C(NN=Cc1c[nH]c2ccccc12)c1ccc(-c2csc(Nc3ccc(Cl)cc3)n2)cc1 1081105054 MDSAGBCQJAXQFQ-UHFFFAOYSA-N 471.973 6.452 50 10 JKGE CCOc1cc(/C=C(\C#N)C(=O)N(C)C)cc(Br)c1OCc1ccc(Cl)c(Cl)c1 1084178103 MYOPUSAQIOIANW-VIZOYTHASA-N 498.204 5.729 50 10 JKGE Cc1c(C(=O)Nc2cccc(Cl)c2)oc2c1C(=NNC(=O)c1cccc3ccccc13)CCC2 1772747658 KOLPFCAOIFZPKJ-UHFFFAOYSA-N 471.944 6.117 50 10 JKGE Cc1ccc(C(C)(C)C)c(OCC(=O)NN=C2C(=O)N(Cc3ccccc3Cl)c3ccccc32)c1 1772752425 KMCFELMPRGJXMZ-UHFFFAOYSA-N 490.003 5.392 50 10 JKGE CCOc1ccc2ccccc2c1C=NNC(=O)COc1ccc(C(C)(C)C)cc1Br 1772755312 AGWUMUGRIRVADS-UHFFFAOYSA-N 483.406 5.828 50 10 JKGE COc1cc(C=NNC(=O)CSc2ccc(C)cc2)cc(Br)c1OCc1ccccc1 1772756331 UURLWXYGNNCECG-UHFFFAOYSA-N 499.430 5.588 50 10 JKGE Cc1nn(-c2ccc(Cl)c(Cl)c2)c2c1[C@@H](c1ccc(C(C)(C)C)cc1)C(C#N)=C(N)O2 1865684556 RXONBIABEGDQQM-NRFANRHFSA-N 453.373 6.003 50 10 JKGE N#CC1=C(N)Oc2c(c(-c3ccccc3)nn2Cc2ccc(F)cc2)[C@@H]1c1c(Cl)cccc1Cl 1865685143 DPHDYZPZFYZGTH-NRFANRHFSA-N 491.353 6.262 50 10 JKGE CCCc1nn(Cc2ccc(Cl)c(Cl)c2)c2c1[C@H](c1ccc(C)cc1)C(C#N)=C(N)O2 1865686379 UMEWOHUKPMTXIH-OAQYLSRUSA-N 453.373 5.717 50 10 JKGE CCCCOc1ccc([C@H]2C(C#N)=C(N)Oc3c2c(C)nn3Cc2cccc(Cl)c2)cc1OCC 1865686925 FHHHXFJGEXFRPF-VWLOTQADSA-N 493.007 5.689 50 10 JKGE COc1ccc2ccccc2c1[C@@H]1C(C#N)=C(N)Oc2c1c(C)nn2-c1cccc2ccccc12 1865687942 DORDQVFIWXFAPY-HHHXNRCGSA-N 458.521 5.714 50 10 JKGE CCCCOc1ccc([C@H]2C(C#N)=C(N)Oc3c2c(C(F)(F)F)nn3-c2ccccc2Cl)cc1 1865690252 MSMDZKKIGFDQEJ-IBGZPJMESA-N 488.897 5.942 50 10 JKGE CCCOc1ccc([C@@H]2C(C#N)=C(N)Oc3c2c(CC)nn3-c2ccc(Cl)cc2)cc1OCC 1865691140 KKMSQDVKYUOQDD-HSZRJFAPSA-N 478.980 5.494 50 10 JKGE CCCc1nn(CC)c2c1[C@H](c1ccc(OCc3ccccc3)c(OCC)c1)C(C#N)=C(N)O2 1865694689 ZFYLMIYZCOWYIV-XMMPIXPASA-N 458.562 5.051 50 10 JKGE N#CC1=C(N)Oc2c(c(-c3ccccc3)nn2Cc2c(F)cccc2Cl)[C@H]1c1cccnc1 1865700620 ZGIMYTJDOPMIDE-NRFANRHFSA-N 457.896 5.004 50 10 JKGE N#CC1=C(N)Oc2c(c(C(F)(F)F)nn2Cc2c(F)cccc2Cl)[C@H]1c1ccc(F)cc1F 1865701658 AYHNXQKJFFQFNH-INIZCTEOSA-N 484.787 5.239 50 10 JKGE COc1ccc(/C=C(\C(=O)NNC(=O)c2ccc(SCC(C)C)cc2)c2ccccc2)cc1 1865758097 JBARXCHHVPLGBP-UQQQWYQISA-N 460.599 5.445 50 10 JKGE CCCCc1ccc(-c2csc(/C(C#N)=C(\O)c3ccc4c(c3)C(=O)N([C@H](C)CC)C4=O)n2)cc1 1872744667 CIOFFSCPMFAWAZ-NPPSCJOGSA-N 485.609 6.497 50 10 JKGE CC[C@H](C)[C@@H](/C(O)=C(\C#N)c1nc(-c2cc(C)ccc2C)cs1)N1C(=O)c2ccccc2C1=O 1872749681 CDVPCISNMMLCEQ-RRCCURSSSA-N 471.582 5.931 50 10 JKGE CCOc1ccc(-c2csc(/C(C#N)=C(\O)Cc3ccc(OC(C)C)cc3)n2)c(OCC)c1 1872755197 CMJPRPYDKMTJCH-GYHWCHFESA-N 464.587 6.430 50 10 JKGE COc1cc(/C=C(\C#N)c2nc(-c3ccccc3Cl)cs2)ccc1OCCCc1ccccc1 1872781241 ZXDPKSVLYRFERA-CJLVFECKSA-N 487.024 7.548 50 10 JKGE O=C(N[C@@H](CCBr)COCc1ccccc1)c1ccc(OCc2ccccc2)cc1 1902790144 GHSIQIHJODFKGN-QHCPKHFHSA-N 468.391 5.366 50 10 JKGE C[C@H](CCBr)N(Cc1ccccc1)Cc1cccc(Br)c1Br 1915090157 IGFQQWZHLBHDNQ-CQSZACIVSA-N 490.077 6.387 50 10 JKGE CC[C@H](Br)CN(Cc1ccccc1)Cc1cc(Cl)ccc1I 1915132086 DDAQZDDZBYXUPN-INIZCTEOSA-N 492.626 6.120 50 10 JKGE Cc1c(Br)sc([C@H](Br)c2ccc([N+](=O)[O-])o2)c1Br 1922953638 GEJQTEFXUDBSMC-MRVPVSSYSA-N 459.941 5.567 50 10 JKGE COc1ccccc1[C@@H](Cl)c1c(Br)sc(Br)c1Br 1924586014 SQJHLGKTQCHNPZ-SNVBAGLBSA-N 475.427 6.372 50 10 JKGE Clc1c(Br)ccc(CBr)c1N(Cc1ccccc1)Cc1cccs1 1948741909 ZITMRBPUSWSNOV-UHFFFAOYSA-N 485.672 7.266 50 10 JKGE CC(C)N(Cc1ccccc1)S(=O)(=O)c1cc(CBr)c(Cl)cc1Cl 2009647409 UFJXUBYQIQVYMA-UHFFFAOYSA-N 451.213 5.488 50 10 JKGE FC(F)(F)[C@@H]1C[C@@H]1C[C@@H](Br)c1cc(Br)c(Br)s1 2012965595 UJKMBGOPJNPXHR-HSUXUTPPSA-N 456.947 6.298 50 10 JKGE CCN(C[C@](C)(CI)OC[C@@H]1CC12CCCC2)C(=O)OC(C)(C)C 2021268731 ZCZGGWITBDSMOK-YJBOKZPZSA-N 451.389 5.034 50 10 JKGE N#CC(=Cc1c2ccccc2cc2ccccc12)c1nnc(N2CCOCC2)n1-c1ccccc1 2042453348 DRRCEOLNFKSLAV-UHFFFAOYSA-N 457.537 5.474 50 10 JKGE Clc1cccc(Cl)c1C[C@@H](Br)c1sc(Br)cc1Br 2042866674 VCYYTDJHIZVJDM-SSDOTTSWSA-N 493.873 7.259 50 10 JKGE CCc1nc([C@@H](Br)Cc2ncccc2Br)c(Br)s1 2050330575 DYPCEUYALGXCNR-QMMMGPOBSA-N 455.013 5.304 50 10 JKGE C[C@@H](C1CC1)N(Cc1ccccc1)S(=O)(=O)c1ccc(CBr)c(Br)c1 2059390987 WKDJWPFNKCJRPV-AWEZNQCLSA-N 487.257 5.333 50 10 JKGE Cc1cc(Cl)c([C@H](Br)c2cc(Br)sc2Br)cc1Cl 2081589956 RQDLEDWXKKDAPN-NSHDSACASA-N 493.873 7.373 50 10 JKGE BrC[C@H]1CC12CCN(Cc1c(Br)cccc1Br)CC2 2094094256 ZUUZEJSIIROROF-LLVKDONJSA-N 452.028 5.209 50 10 JKGE BrCCC1(NCc2c(Br)cccc2Br)CCCCC1 2094101792 HTGDXHBYGRHMBY-UHFFFAOYSA-N 454.044 5.789 50 10 JKGE COc1cc([C@@H](Cl)c2cscc2OCc2ccccc2)c(OC)cc1Br 2100090963 FGHWIDXCUBEHIM-HXUWFJFHSA-N 453.785 6.435 50 10 JKGE CN(Cc1cc(Br)ccc1Br)[C@H](CCBr)C(F)(F)F 2122010244 ZUPUEZSWHFSMJF-LLVKDONJSA-N 467.949 5.359 50 10 JKGE O=C(c1csc(Br)c1Br)N1[C@H]2CC[C@@H]1C[C@H](CBr)C2 2128149484 JRSJIEDAKBMOIM-AYMMMOKOSA-N 472.040 5.051 50 10 JKGE Cc1cc(Br)c([C@@H](Br)[C@H]2CC23CC(F)(F)C3)cc1Br 2132886765 BBHWHOZKDVDSEW-BXKDBHETSA-N 458.966 6.391 50 10 JKGE O=C(c1csc(Br)c1Br)N1CC[C@H](CBr)C12CCC2 2133813790 VZBRSJDUPYLJPM-MRVPVSSYSA-N 472.040 5.053 50 10 JKGE FC(F)(F)CCCCOc1c(Br)cc(Br)cc1CBr 2136870875 ZMQPHKZSMKTJRH-UHFFFAOYSA-N 468.933 6.218 50 10 JKGE CC(C)(C)[C@@]1(CBr)CCN(Cc2ccc(Br)cc2Br)C1 2160930519 PPCQSLXGSGOZHY-MRXNPFEDSA-N 468.071 5.845 50 10 JKGE Fc1cc(Br)cc(N2CC[C@@H]3CCN(Cc4ccccc4)C[C@@H]3C2)c1CBr 2170690379 CSRLGPMULXFGQY-ZWKOTPCHSA-N 496.262 5.832 50 10 JKGE Fc1cc(Br)cc(Oc2cc(Br)cc(F)c2CBr)c1F 2170691117 HUPCLCFUTUNYLP-UHFFFAOYSA-N 474.896 6.316 50 10 JKGE Brc1cccc(Br)c1O[C@@H]1C[C@@H](Br)[C@]12CCCC21CC1 2173658914 LOJDFSKPHOICSK-XJKCOSOUSA-N 465.023 6.077 50 10 JKGE CC(C)(C)OCCCO[C@](C)(CI)c1ccccc1Br 2181961131 BJNHLFLXGIMBAF-MRXNPFEDSA-N 455.174 5.321 50 10 JKGE Cc1cc(Br)c(C)c([C@H](Br)C[C@H](C)CC(C)(C)C)c1Br 2201070610 NURJFLSGQJXLAV-IINYFYTJSA-N 469.099 7.727 50 10 JKGE O=C(c1ccc(Br)cc1I)N1CCCC[C@@H]1CCCCl 2207268240 RJAAXMDSVALWMG-GFCCVEGCSA-N 470.576 5.067 50 10 JKGE COc1sc([C@H](Br)c2scc(Br)c2C)cc1Br 2213772216 FRWMMKOJPHKXCJ-VIFPVBQESA-N 461.038 6.136 50 10 JKGE ClCc1nc2cccc(Br)c2n1C[C@H]1CC1(Br)Br 2218000664 VICIROYICIXUBP-SSDOTTSWSA-N 457.391 5.044 50 10 JKGE CC(C)(F)[C@@](C)(F)[C@@H](Br)c1cc(Br)c(Br)cc1F 2218597526 MYINBXSKLIAKCO-JQWIXIFHSA-N 452.934 6.263 50 10 JKGE Cc1cc(Br)c([C@@H](Br)[C@@H](C)c2ccncc2Br)s1 2221822978 FNXAQWBJHDPGGW-UFBFGSQYSA-N 454.025 6.216 50 10 JKGE Cn1nc([C@H](Br)Cc2ccc(Br)cc2Cl)c(Br)c1Cl 2229140665 NMXBHYULEBXZPQ-MRVPVSSYSA-N 491.836 5.931 50 10 JKGE Cc1c(F)ccc([C@H](Cl)c2ccc(I)c(Br)c2)c1F 2231078000 BTMJLONLKKMLAN-CYBMUJFWSA-N 457.483 5.969 50 10 JKGE C[C@@]1([C@@H](Br)c2c(Br)cc(Cl)c(Cl)c2Cl)CCCC1(F)F 2232512525 NQDQRZHLLVKIMY-RYUDHWBXSA-N 471.394 7.671 50 10 JKGE Clc1cc(Br)c([C@H](Br)[C@@H]2C[C@H]3O[C@H]2[C@@H]2C[C@H]32)c(Cl)c1Cl 2232518926 HVARZALNBJSGPB-RYQFWNGMSA-N 461.408 6.269 50 10 JKGE Cc1cc(Br)c([C@@H](Br)c2ccc(Cl)cc2F)c(C)c1Br 2235602028 CCEGUSQNRLKWAR-HNNXBMFYSA-N 485.416 7.105 50 10 JKGE Cc1cc(Br)c([C@H](Br)c2cc(F)ccc2Cl)c(C)c1Br 2235603150 HSAYUGSWWSBQEQ-OAHLLOKOSA-N 485.416 7.105 50 10 JKGE Fc1cccc(I)c1[C@H](Br)c1cc2sccc2s1 2255902563 RPXJZOKGCDCWAJ-CYBMUJFWSA-N 453.139 6.191 50 10 JKGE Fc1cc(Br)c(F)c(Br)c1[C@H](Br)C1CC(F)(F)C1 2260001473 MURWDGARSXTALB-MRVPVSSYSA-N 454.881 5.971 50 10 JKGE Fc1cc(C[C@H](Br)c2csc(Br)c2Br)ccc1Cl 2263386600 XDGKHLLXWFCSKW-QMMMGPOBSA-N 477.418 6.744 50 10 JKGE FC(F)(F)[C@@H]1C[C@@H]1[C@H](Br)Cc1cc(Br)cc(Br)c1 2263524481 IBGFGZSNNIORIV-HBNTYKKESA-N 450.918 5.716 50 10 JKGE Cc1sc(Br)c(C)c1[C@H](Br)c1cc(Br)c(F)cc1Cl 2270461602 SMNJZIUZVXHIFA-GFCCVEGCSA-N 491.445 7.167 50 10 JKGE Fc1ccc([C@@H](Br)Cc2ccc(Cl)c(F)c2)c(I)c1 2277794639 XQSBBZFSLTXQSI-NSHDSACASA-N 457.483 5.902 50 10 JKGE Brc1cc(Br)cc(C[C@@H](Br)C[C@@H]2CCCOCC2)c1 2277962631 JOLISEAOOWYNFH-YPMHNXCESA-N 455.028 5.724 50 10 JKGE Cc1c(Br)sc([C@H](Br)c2cc(Br)cc(C(C)C)c2)c1C 2280677714 VJUJYLBYLCZOSW-CQSZACIVSA-N 481.091 7.498 50 10 JKGE COc1c([C@H](Cl)c2c(Br)cc(C)c(Br)c2C)csc1Cl 2284303607 HJKNJKIZMYHGIY-LBPRGKRZSA-N 459.030 6.880 50 10 JKGE Fc1cc(Br)c(F)c(Br)c1[C@@H](Br)C[C@@H]1CCCC1(F)F 2288360187 UYNGOKDILITKFF-BQBZGAKWSA-N 482.935 6.751 50 10 JKGE O=C(CSc1nc2ccccc2n1Cc1ccc(Cl)cc1)NN=CC=Cc1ccco1 2296679464 NZZNTOCWBSIZBU-UHFFFAOYSA-N 450.951 5.239 50 10 JKGE Cc1ccc(NC(=O)C(C#N)=C2S[C@@H](Cc3ccccc3C)C(=O)N2c2ccc(C)cc2)cc1 2296835106 ZNLHRHBTFXMODL-VWLOTQADSA-N 467.594 5.677 50 10 JKGE O=C(CSc1nnc(-c2ccccc2)n1-c1ccc(Cl)cc1)NN=CC=Cc1ccco1 2297304513 LDISEEMYQPSFHU-UHFFFAOYSA-N 463.950 5.088 50 10 JKGE COc1ccc(CCN(Cc2ccccc2)C(C)(C)CBr)c(Br)c1 2301373887 PJMXEUINBAXCJV-UHFFFAOYSA-N 455.234 5.676 50 10 JKGE CCOc1cc(C=C(C#N)C(=O)N(C)C)cc(Br)c1OCc1ccccc1Cl 2313567062 CDRDFTGVMQHASJ-UHFFFAOYSA-N 463.759 5.075 50 10 JKGE C=CCc1cc(C=C(C#N)C(=O)Nc2ccc(C)cc2)cc(OC)c1OCc1ccccc1F 2313567221 DNCIVCRPGINSEW-UHFFFAOYSA-N 456.517 5.996 50 10 JKGE Cc1cccc(COc2ccc(Br)cc2C=C(C#N)C(=O)Nc2ccccc2F)c1 2313631683 UJZDMVHTXKBXNQ-UHFFFAOYSA-N 465.322 6.021 50 10 JKGE Brc1ccc(OCc2ccccc2)c([C@@H](Br)[C@H]2C[C@@H]3O[C@H]2[C@H]2C[C@@H]32)c1 2314454601 HMUGMSWDPLPRHC-HDWQMLRISA-N 464.197 5.888 50 10 JKGE O=S1(=O)CCCC[C@@H]1[C@H](Br)c1cc(Br)ccc1OCc1ccccc1 2314492223 VRRNHMLSFOJGLI-RTBURBONSA-N 488.241 5.431 50 10 JKGE Cc1nc(Br)c([C@H](Cl)c2ccc(Br)cc2Br)n1C 2315630080 MCWAAIDQGJHQIN-SNVBAGLBSA-N 457.391 5.344 50 10 JKGE CCCc1sc(Br)cc1[C@@H](Br)c1cnn(C)c1Br 2316177487 CNMOMZSKLGFIFS-LLVKDONJSA-N 457.029 5.443 50 10 JKGE Clc1cc(I)c([C@@H](Br)[C@H]2C[C@H]3CCC[C@H]2CC3)s1 2316747588 RQACRTVERXMQFK-YVNDNENWSA-N 459.618 6.659 50 10 JKGE CO[C@]1(C(F)F)C[C@H]([C@@H](Br)c2cc(Br)sc2Br)C1 2320066950 MGFVWOKLBGAYSR-MEQXXCBNSA-N 468.983 5.769 50 10 JKGE COc1cc(C=NNC(=O)c2ccc3[nH]c4c(c3c2)CCCC4)ccc1OCc1ccccc1 2323149376 QARNNFROAUQFOB-UHFFFAOYSA-N 453.542 5.398 50 10 JKGE N#CC(=C(O)CNC(=O)c1ccc(Cl)cc1Cl)c1nc(-c2ccc3ccccc3c2)cs1 2331236951 LZVVXCGWBKYNKY-UHFFFAOYSA-N 480.376 6.493 50 10 JKGE CC[C@H](C)[C@@H](C(O)=C(C#N)c1nc(-c2ccc3c(c2)CCCC3)cs1)N1C(=O)c2ccccc2C1=O 2331240217 JOHJLASJSPPJNH-GKVSMKOHSA-N 497.620 6.192 50 10 JKGE CCc1ccc(OCCCC(O)=C(C#N)c2nc(-c3cccc(Br)c3)cs2)cc1 2331278929 SOMZDGYWXWEFAL-UHFFFAOYSA-N 469.404 6.787 50 10 JKGE Cc1ccc(-c2csc(C(C#N)=C(O)c3ccccc3I)n2)c(C)c1 2331311310 PDFZYKOKSDINPV-UHFFFAOYSA-N 458.324 5.981 50 10 JKGE COc1ccc(C=C(C(O)=C(C#N)c2nc(-c3cc(C)ccc3C)cs2)c2ccccc2)cc1 2331319581 MAMRWMQXDKURQU-UHFFFAOYSA-N 464.590 7.469 50 10 JKGE CCOc1ccc(CCC(O)=C(C#N)c2nc(-c3ccc4c(c3)OCCO4)cs2)cc1OC 2331331667 BBVDBUZSYPWPTF-UHFFFAOYSA-N 464.543 5.414 50 10 JKGE CCOc1ccc(-c2csc(C(C#N)=C(O)C=Cc3ccc(Cl)cc3)n2)c(OCC)c1 2331386636 VEXOBEXOROGSGT-UHFFFAOYSA-N 452.963 6.767 50 10 JKGE CCN(Cc1ccccc1)c1ccc(C=C(C#N)c2nc(-c3ccccc3OC)cs2)cc1 2331436001 BDWPQRHKBMSLPW-UHFFFAOYSA-N 451.595 6.909 50 10 JKGE CCCOc1ccc(-c2csc(C(C#N)=Cc3cc(OC)ccc3OC)n2)cc1OCCC 2331438039 SZDHGXSHBZWWIJ-UHFFFAOYSA-N 464.587 6.469 50 10 JKGE CO[C@@H]1C[C@@H]([C@@H](Br)c2cc(Br)ccc2OCc2ccccc2)C12CCC2 2336040353 FASYRPWEAXQJGQ-TYPHKJRUSA-N 480.240 6.669 50 10 JKGE COc1ccc(C[C@H](Br)c2cc(Br)ccc2OCc2ccccc2)cc1 2336046167 BSEKILPCZWRKQU-NRFANRHFSA-N 476.208 6.715 50 10 JKGE COc1ccc([C@H](Cl)c2ccc(OCc3ccccc3)cc2Br)cc1Br 2336082299 YZJOBQMJNQCYKQ-NRFANRHFSA-N 496.626 7.127 50 10 JKGE Fc1c(Br)cc(Cl)c([C@@H](Br)C2CCC(F)CC2)c1Br 2337082816 QKCROHRQRWJMAN-OGIFLDNPSA-N 481.400 6.968 50 10 JKGE CC[C@@](C)(C(F)F)[C@H](Br)c1c(C)cc(Br)c(F)c1Br 2339658271 GNTYLECPUFTQOM-DGCLKSJQSA-N 466.961 6.777 50 10 JKGE COc1c(Br)cc(C)c([C@H](Cl)c2cc(Br)co2)c1Br 2339663915 QTLYQUOJVYCHSL-GFCCVEGCSA-N 473.386 6.212 50 10 JKGE Cc1cc(Br)c(F)c(Br)c1[C@H](Br)[C@H]1CCO[C@H](C)C1 2339684757 CHZYUHHRVFVBKQ-VDDIYKPWSA-N 458.991 5.910 50 10 JKGE Clc1ccc(CN(CCBr)c2ccccc2)c(I)c1 2341045201 UFGIDXXXNQKSEM-UHFFFAOYSA-N 450.545 5.346 50 10 JKGE Clc1ccc(CC[C@H](Br)c2ccccc2Cl)c(I)c1 2341058653 FMFUTZOCBMKPOJ-ZDUSSCGKSA-N 469.975 6.667 50 10 JKGE Clc1cc(Cl)cc(CC[C@H](Br)c2sc(Cl)cc2Br)c1 2341117134 RMHSNSDHAKWILJ-JTQLQIEISA-N 463.449 7.540 50 10 JKGE FC(F)Oc1ccc([C@@H](Cl)c2cc(Br)ccc2OCc2ccccc2)cc1 2361196712 ZUAWICIFXZSZTF-HXUWFJFHSA-N 453.710 6.958 50 10 JKGE Fc1cc([C@H](Cl)c2c(Cl)cc(Br)c(F)c2Br)ccc1Cl 2362226812 XAUJSEFQYPNCAJ-LBPRGKRZSA-N 465.346 7.125 50 10 JKGE CC1(C)CCCC[C@@H]1[C@H](Br)c1c(Cl)cc(Br)c(F)c1Br 2362254077 KSTKTFWHRATDLW-PELKAZGASA-N 491.464 7.657 50 10 JKGE Cc1cc(Br)c(F)c(Br)c1[C@@H](Br)c1ccc(F)cc1F 2365179678 PKGWFZYKZYYJBK-LBPRGKRZSA-N 472.924 6.422 50 10 JKGE COc1c(Br)cc(C)c([C@H](Br)[C@@H]2C[C@@]23CC3(F)F)c1Br 2365214474 AVBASIVJLNVRMG-JVQVWZCXSA-N 474.965 6.010 50 10 JKGE O=[N+]([O-])c1sc(CBr)cc1OCc1c(Br)cccc1Br 2366216942 QPTAMNVJMYOQOE-UHFFFAOYSA-N 485.979 5.655 50 10 JKGE CCCc1sc(Br)cc1[C@@H](Br)c1c(Cl)cc(F)cc1Cl 2366409353 UEUBLAYTVAFDOT-CQSZACIVSA-N 461.021 7.393 50 10 JKGE C[C@H]1CC2CC([C@H](Br)c3c(F)cc(Br)c(F)c3Br)(C2)O1 2368129569 XGVMSMOKEMXLIR-VVPBMUBNSA-N 474.965 5.883 50 10 JKGE CCOc1cc([C@@H]2C(C#N)=C(N)Oc3[nH]nc(-c4ccc(C)cc4)c32)ccc1OC(=O)c1cccs1 8569254 BYVYJGNQKGVNKU-JOCHJYFZSA-N 498.564 5.283 50 10 JKGE CC(C)(C)c1ccc(OCC(=O)N/N=C/c2ccc(Br)cc2)c(Br)c1 12403411 ZIOQVWFVIVDSOJ-SSDVNMTOSA-N 468.189 5.038 50 10 JKGE CC(C)COc1ccc(C(=O)NNC(=O)c2ccc(-c3ccccc3)cc2)cc1Br 14652896 XSTZBVCPQRUPBH-UHFFFAOYSA-N 467.363 5.226 50 10 JKGE O=C(NN=C(/C=C\c1ccccc1)/C=C\c1ccccc1)c1ccc(NC(=O)c2ccccc2)cc1 33392741 FQEVVHKGXVEHPV-ISPAOBMBSA-N 471.560 6.452 50 10 JKGE Cc1cccn2c(=O)c(/C=C(/C#N)c3nc4ccccc4[nH]3)c(Oc3ccc(Cl)cc3Cl)nc12 33467391 FHSTYFQMCVQHFO-PTNGSMBKSA-N 488.334 6.043 50 10 JKGE N#C/C(=C/c1ccc(-n2nc(-c3ccccc3)cc2-c2ccccc2)cc1)C(=O)Nc1ccccc1 33568565 YOROUAJXBBGRJT-QOMWVZHYSA-N 466.544 6.752 50 10 JKGE Cc1ccc(NC(=O)/C(C#N)=C2/S[C@H](Cc3cccc([N+](=O)[O-])c3)C(=O)N2c2ccc(C)cc2)cc1 33579298 ZQVIIXFXQRKCMZ-GUNDDFSMSA-N 498.564 5.277 50 10 JKGE N#C/C(=C/c1ccc(OCc2ccccc2)cc1)C(=O)Nc1ccc([N+](=O)[O-])cc1Br 33930327 FOYICUILUFXRFZ-PDGQHHTCSA-N 478.302 5.482 50 10 JKGE N#C/C(=C\c1cn(CC(=O)Nc2ccc(F)cc2)nc1-c1ccccc1)c1nc(O)c2ccccc2n1 34988208 RYKVMLVSSZJIBX-XMHGGMMESA-N 490.498 5.041 50 10 JKGE N#C/C(=C/c1cn(-c2ccccc2)nc1-c1ccccc1)C(=O)Nc1ccc(Cl)c(C(F)(F)F)c1 35519345 SFOXFZGTOGGVEG-AQTBWJFISA-N 492.888 6.757 50 10 JKGE CCCOc1cccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4cccc(OCC)c4)ccc32)c1 38684469 IPUCQPIESDKKCP-AREMUKBSSA-N 470.525 5.311 50 10 JKGE Cc1cc(C)cc(Oc2nc3c(C)cccn3c(=O)c2/C=C(/C#N)C(=O)Nc2ccc(F)cc2)c1 39858780 VSJWGRYLJMEBPL-RGEXLXHISA-N 468.488 5.097 50 10 JKGE COc1cc(/C=N/NC(=O)COc2ccccc2C(C)(C)C)ccc1OCc1ccc(Cl)cc1 40846889 HVQJPIUELGMUJX-MUFRIFMGSA-N 480.992 5.754 50 10 JKGE COc1cccc(/C=N/NC(=O)CCCSc2nnc(CCc3ccccc3)n2-c2ccccc2)c1 58987885 YLYJANJVUGEHON-XHLNEMQHSA-N 499.640 5.084 50 10 JKGE N#C/C(=C/c1cc(Cl)ccc1OCc1cccc(F)c1)C(=O)Nc1cccc([N+](=O)[O-])c1 59232952 HFMGPWVVQBRODV-YVLHZVERSA-N 451.841 5.512 50 10 JKGE CCCCCCCCN(CCCCCCCC)C(=O)c1ccc(C(CC#N)=C(C#N)C#N)cc1 60316062 RXPPARODGVPMLG-UHFFFAOYSA-N 460.666 7.564 50 10 JKGE CSc1cccc(N/C(SCc2ccc(Cl)cc2)=C(\C#N)S(=O)(=O)c2ccccc2)c1 96482167 GEDOIBCRECVWFM-FCQUAONHSA-N 487.071 6.574 50 10 JKGE Fc1cc(-n2c(CCl)nc3cc(I)c(F)cc32)ccc1Br 97409446 UQBZBJOLAPXJME-UHFFFAOYSA-N 483.481 5.410 50 10 JKGE Brc1cccc(Br)c1O[C@@H]1C[C@H](Br)C12CCCCC2 97638434 CVUBJVOFWHELCK-QWHCGFSZSA-N 453.012 6.077 50 10 JKGE CCCCc1ccc(C[C@H]2S/C(=C(\C#N)C(=O)Nc3ccccc3)N(c3ccccc3C)C2=O)cc1 102667011 FOGNDZAHBFTSMJ-OHQITXMPSA-N 495.648 6.403 50 10 JKGE Cc1ccc(C[C@@H](Br)c2cc(Br)sc2Br)cc1C 109870150 RCECXLMTZCBIQS-GFCCVEGCSA-N 453.037 6.569 50 10 JKGE CC(C)CCOCCC(CBr)(CBr)c1ccc(Br)cc1 118878533 UIIRYZIWWZCRJM-UHFFFAOYSA-N 471.071 5.930 50 10 JKGE Cc1cc([C@H](Cl)c2cc(Br)sc2Br)sc1Br 126727190 DWAZJYKWXCQRLC-MRVPVSSYSA-N 465.457 6.734 50 10 JKGE COc1cc([C@@H](Br)c2cc(Br)ccc2F)c(OC)cc1Br 134301093 INAVXOMRMNLPHZ-HNNXBMFYSA-N 482.969 5.852 50 10 JKGE COc1cc([C@@H](Br)c2ccc(Br)cc2Cl)c(OC)cc1Br 134301679 VHWXJHXTFQDAKJ-HNNXBMFYSA-N 499.424 6.367 50 10 JKGE Cl[C@@H](Cc1ccc(Br)cc1)c1cc(Br)cc(Br)c1 236018093 HMLHOLDNDLNRHC-AWEZNQCLSA-N 453.399 6.497 50 10 JKGE Clc1cc(Br)cc([C@H](Br)Cc2cccc(Br)c2)c1 236067997 WEPCGZHTRMEAOU-CQSZACIVSA-N 453.399 6.544 50 10 JKGE CC(=NNC(=O)c1cc(-c2cccc(Br)c2)nc2ccccc12)c1cc(O)ccc1O 254311708 XMZDIDAPVSGHHI-UHFFFAOYSA-N 476.330 5.230 50 10 JKGE CC(C)CN1C(=O)C(=NNC(=O)c2ccc(CSc3cccc4cccnc34)cc2)c2ccccc21 254503813 FGPPNPGWKIBJGL-UHFFFAOYSA-N 494.620 5.664 50 10 JKGE CCCOc1ccc(-c2nn(-c3ccccc3)cc2C=NNC(=O)COc2cccc(C)c2)cc1 254735498 HWFBSVDZINRMON-UHFFFAOYSA-N 468.557 5.166 50 10 JKGE COc1ccc(-n2c(SCC(=O)NN=C/C(C)=C/c3ccccc3)nnc2-c2ccc(C)cc2)cc1 254818809 BPDUHOLKHYSONW-LCJWJVCRSA-N 497.624 5.549 50 10 JKGE CCCCCCCCCCCCCCCCCC(=O)NN=Cc1ccccc1C(F)(F)F 254853214 GDUXOYDFUWUIKV-UHFFFAOYSA-N 454.621 8.417 50 10 JKGE COc1ccc(C=NNC(=O)CSc2nnc(-c3ccc(C)cc3)n2C2CCCCC2)cc1 263630237 PXLULPGZXZXDFI-UHFFFAOYSA-N 463.607 5.010 50 10 JKGE FC(F)(F)c1csc([C@@H](Cl)c2cccc(I)c2)c1Br 306112394 UVCUNEQZHYBKPT-JTQLQIEISA-N 481.502 6.462 50 10 JKGE Cc1ccc(Br)cc1[C@H](Br)c1cc2c(cc1Br)OCC2 308411656 GCSUUOXXMVPCPF-INIZCTEOSA-N 460.991 5.939 50 10 JKGE C[C@]1(CI)CC[C@H](c2ccc(Br)c(Br)c2)O1 309418215 KZYHZFKSUQKRHD-VXGBXAGGSA-N 459.947 5.257 50 10 JKGE Cc1cc(Br)ccc1[C@@H](Br)c1c(C)cc(C)c(Br)c1C 380407484 GKLDSYBCSJCZGD-QGZVFWFLSA-N 461.035 6.930 50 10 JKGE Cc1ccc([C@H]2CN(Cc3ccccc3)C[C@@H]2CBr)cc1I 382680224 ALQPVMBKWSLVMI-ZWKOTPCHSA-N 470.192 5.210 50 10 JKGE O=C(N[C@H](CBr)C1CCCCC1)c1cc(Br)cc(Br)c1 386178116 BVSVOXMQOZVALS-CQSZACIVSA-N 468.027 5.285 50 10 JKGE C[C@H](Br)C[C@H]1CCCCN1C(=O)c1cc(Br)c(Br)s1 388135715 NAPLOLLIPJMTGN-DTWKUNHWSA-N 474.056 5.441 50 10 JKGE BrCc1cc(Br)c(OCCC[C@H]2CCOC2)c(Br)c1 400545289 LQVHQBNIRVQVSK-JTQLQIEISA-N 457.000 5.302 50 10 JKGE C[C@H](Cl)c1nc2cc(F)c(Br)cc2n1[C@@]1(C)CCN(Cc2ccccc2)C1 405976901 XVJMGJABTZHOKN-QKKBWIMNSA-N 450.783 5.859 50 10 JKGE CC(C)(C)[Si](C)(C)OCCc1cccc([C@H]2CCN(Cc3ccccc3)c3ccccc32)c1 616590044 SNDAONFFJZNWDZ-HHHXNRCGSA-N 457.734 7.793 50 10 JKGE CC1(C)CC[C@H](CBr)N(C(=O)c2cc(Br)sc2Br)C1 701638333 UWFXZPUDAYGGPX-MRVPVSSYSA-N 474.056 5.299 50 10 JKGE C[C@H](Cl)c1nc2cc(F)ccc2n1CC1(N(Cc2ccccc2)Cc2ccccc2)COC1 705783337 NJVFISZMDWDFLQ-FQEVSTJZSA-N 463.984 5.947 50 10 JKGE COc1nscc1COc1c(Br)cc(CBr)cc1Br 711621882 AZXCCQUXNQTSFT-UHFFFAOYSA-N 471.996 5.151 50 10 JKGE BrCc1cc(Br)cc(Br)c1OC[C@H]1CCC2(CCC2)O1 712409184 URLPGVNMVWKAMI-GFCCVEGCSA-N 469.011 5.587 50 10 JKGE COc1ccc([C@H](Cl)c2ccc(I)c(Br)c2)cc1OC 721573365 RCVHJHNTVYOBRG-OAHLLOKOSA-N 467.528 5.399 50 10 JKGE Fc1cccc([C@H](Cl)c2cc(Cl)c(Cl)c(Cl)c2Cl)c1I 721717362 ANWUIBNURJULEM-VIFPVBQESA-N 484.350 7.372 50 10 JKGE Cc1sc([C@@H](Br)c2ccc(Br)cc2Cl)c(C)c1Br 724928855 SBYFKPAUNUBHRA-LBPRGKRZSA-N 473.455 7.028 50 10 JKGE O=C([C@H](c1cccs1)N(C(=O)CCl)c1cccc(C(F)(F)F)c1)N1CC[C@@H]2CCCC[C@H]2C1 725237162 ALJZRVAMJQOELB-HOIFWPIMSA-N 498.998 6.119 50 10 JKGE Cc1ccc(-n2c(C)c(Br)c(C=NNC(=O)[C@H](C)SCc3ccccc3)c2C)cc1C 1083903951 FBWVCTFYDOHALN-FQEVSTJZSA-N 498.490 6.245 50 10 JKGE CCOc1cc(C=NNC(=O)c2cccs2)cc(Br)c1OCc1ccc(Cl)cc1 1084284275 GFVLTRMQFXODKC-UHFFFAOYSA-N 493.810 5.906 50 10 JKGE Cc1ccc(-n2c(C)cc(C=NNC(=O)CSCc3ccc([N+](=O)[O-])cc3)c2C)c(C)c1 1084631270 KDLUHCUQCXIGBT-UHFFFAOYSA-N 450.564 5.003 50 10 JKGE Cc1c(Br)c(C=NNC(=O)CCSc2ccc(Cl)cc2)c(C)n1-c1ccccc1 1084641108 NVVDVYGCACMLRF-UHFFFAOYSA-N 490.854 6.143 50 10 JKGE Cc1c(C(=O)N2CCC(C)CC2)oc2c1C(=NNC(=O)c1ccc(-c3ccccc3)cc1)CCC2 1772747402 OIRLNSQJXFWTIM-UHFFFAOYSA-N 469.585 5.598 50 10 JKGE CCCOc1ccccc1/C=C/C(=O)NCc1ccc(OC(=O)Nc2ccc(SC#N)cc2)cc1 1858908560 REGZILFJKWQQOW-CXUHLZMHSA-N 487.581 5.989 50 10 JKGE CC(C)c1ccc([C@@H]2C(C#N)=C(N)Oc3c2c(-c2ccccc2)nn3Cc2ccc(F)cc2)cc1 1865685076 DVZFZCPPQONZEX-RUZDIDTESA-N 464.544 6.079 50 10 JKGE CCCCOc1ccc([C@H]2C(C#N)=C(N)Oc3c2c(C)nn3Cc2cccc(F)c2)cc1OCC 1865687005 HGKRBIBYTUTGOD-VWLOTQADSA-N 476.552 5.175 50 10 JKGE Cc1nn(Cc2ccccc2F)c2c1[C@H](c1ccc(OCc3ccccc3)cc1)C(C#N)=C(N)O2 1865689478 AIOLUYLWMBCQRU-AREMUKBSSA-N 466.516 5.176 50 10 JKGE CCCc1nn(Cc2ccc(C)cc2)c2c1[C@@H](c1ccc(OC(C)C)c(OC)c1)C(C#N)=C(N)O2 1865696583 IDCVJGOINKZLTF-VWLOTQADSA-N 472.589 5.206 50 10 JKGE COc1ccc(-c2nn(-c3ccc(C)cc3)c3c2[C@@H](c2sccc2C)C(C#N)=C(N)O3)cc1 1865699336 QWVWDERXQMQUEP-NRFANRHFSA-N 454.555 5.444 50 10 JKGE COc1ccc(-c2nn(-c3ccc(OC)cc3)c3c2[C@@H](c2c[nH]c4ccccc24)C(C#N)=C(N)O3)cc1 1865700132 LNCXFIMGFXAALM-RUZDIDTESA-N 489.535 5.256 50 10 JKGE N#CC1=C(N)Oc2c(c(-c3ccccc3)nn2-c2ccc(Cl)cc2)[C@H]1c1ccc(C(=O)O)cc1 1865709020 LMDUMKQVWCYWHV-NRFANRHFSA-N 468.900 5.109 50 10 JKGE Cc1ccc(-n2nc(C(F)(F)F)c3c2OC(N)=C(C#N)[C@@H]3c2ccc(C(F)(F)F)cc2)cc1 1865711130 QGQRSRCJXUXYRY-INIZCTEOSA-N 464.369 5.437 50 10 JKGE COc1cccc([C@@H]2C(C#N)=C(N)Oc3c2c(C(F)(F)F)nn3-c2ccc(Cl)c(Cl)c2)c1 1865712185 RPROZFWCFPKFNP-MRXNPFEDSA-N 481.261 5.425 50 10 JKGE N#CC1=C(N)Oc2c(c(-c3ccccc3)nn2Cc2ccccc2Cl)[C@H]1c1ccc([N+](=O)[O-])cc1 1865712629 DFNHLCNEAAFHPK-QFIPXVFZSA-N 483.915 5.378 50 10 JKGE Cc1nc(-c2ccc(Cl)c(Cl)c2)ccc1C(=O)NNC(=O)c1cccc(C(F)(F)F)c1 1865759220 OJYPSQANZQANJE-UHFFFAOYSA-N 468.262 5.457 50 10 JKGE CCCc1nc(Nc2ccc(SC#N)cc2)cc(N2CCN(C)[C@@H](c3ccc(F)cc3)C2)n1 1868388576 KZDPPLVIAIZHIR-JOCHJYFZSA-N 462.598 5.378 50 10 JKGE CCOc1ccc(-c2nc(Nc3ccc(SC#N)cc3)cc(N3[C@@H](C)COC[C@@H]3C)n2)cc1 1868527918 KCWYJYWIAWZSCE-ROUUACIJSA-N 461.591 5.473 50 10 JKGE CCOc1ccc(OCC)c(-c2csc(/C(C#N)=C(\O)[C@H](C)Oc3ccc(Cl)cc3)n2)c1 1872754745 GWSMDWKZGNMHDS-DCBSDEPNSA-N 470.978 6.521 50 10 JKGE Cc1ccc(COc2ccc(/C=C(\C#N)c3nc(-c4ccc(Cl)c(Cl)c4)cs3)cc2)cc1 1872790680 YJOSKUOLBVHUGT-CIAFOILYSA-N 477.416 8.069 50 10 JKGE COc1cc(OC)c(-c2csc(/C(C#N)=C/c3ccc(Cl)c(Cl)c3)n2)cc1Cl 1872793481 CAKWRYKIKIXOJO-LFYBBSHMSA-N 451.762 6.852 50 10 JKGE Fc1cc(Br)c2nc(CCCl)n([C@@H]3CCCN(Cc4ccccc4)C3)c2c1 1912687931 SWKUBJGSVZKXMG-QGZVFWFLSA-N 450.783 5.556 50 10 JKGE Cc1cc([C@@H](Br)c2sc(Br)cc2Br)oc1Br 1922911564 DPBMBQKTQZSYFZ-MRVPVSSYSA-N 493.840 6.421 50 10 JKGE Clc1c(Br)sc(Br)c1[C@H](Cl)c1ccc2c(c1)COCC2 1923055129 PJYVVLYXCQDZCW-LLVKDONJSA-N 457.014 6.327 50 10 JKGE Clc1c(Br)sc(Br)c1[C@@H](Cl)c1cc2c(s1)CCCC2 1923067104 YNPYGWKJKZGAPN-JTQLQIEISA-N 461.071 7.195 50 10 JKGE C[C@@H]1CC[C@@H]([C@H](Br)c2c(Br)sc(Br)c2Cl)O1 1923067989 LHJXQRQHJXWVKQ-ZDLURKLDSA-N 453.421 5.930 50 10 JKGE CCC[C@H](Br)c1c(Br)sc(Br)c1Br 1924575999 INYXVSCULOKERA-BYPYZUCNSA-N 455.835 6.272 50 10 JKGE O=S1(=O)CCCC[C@H]1[C@H](Br)c1c(Cl)sc(Br)c1Cl 1925589454 UBFAAEKWSUBJIY-FSPLSTOPSA-N 457.036 5.221 50 10 JKGE CCC(CC)C[C@H](Br)c1c(Br)sc(Br)c1Br 1926355630 RCHRHWBDQJWHKJ-ZETCQYMHSA-N 497.916 7.298 50 10 JKGE FC1(F)CCOC[C@@H]1[C@H](Br)c1sc(Br)cc1Br 2001817766 AWPKXNCDYITSQO-XRGYYRRGSA-N 454.956 5.381 50 10 JKGE Cc1c(Cl)cc([C@H](Br)c2sccc2Br)cc1Br 2002241519 CMIDGVBNPQARGP-NSHDSACASA-N 459.428 6.719 50 10 JKGE Cc1cc(Br)c(C)c([C@H](Br)C2CC(Br)C2)c1Br 2022975247 ZOKMCGCCQXEKTN-KJHLLKJSSA-N 489.871 6.438 50 10 JKGE Clc1c(Br)sc(Br)c1[C@@H](Br)[C@H]1CC12CCCCC2 2039004595 BBRIVOYYLMBWGS-APPZFPTMSA-N 477.487 7.333 50 10 JKGE N#CC(=Cc1cn(-c2ccccc2)nc1-c1ccc2c(c1)CCC2)c1cccc(C(F)(F)F)c1 2040750485 DMOIPSSZFIONJE-UHFFFAOYSA-N 455.483 7.111 50 10 JKGE CC[C@H]1CN(C(=O)OCc2ccccc2)[C@H](CC)CN1CC1(CBr)CCCC1 2044626090 DAENFSJURMLUIM-LEWJYISDSA-N 451.449 5.453 50 10 JKGE CC1(C)CCC[C@@H]([C@@H](Cl)c2c(Br)sc(Br)c2Br)C1 2049572636 BGKDDPPMQWGSLT-GMSGAONNSA-N 479.503 7.532 50 10 JKGE Clc1ccc([C@H](Cl)c2ccc(Br)cc2Br)c(Br)c1 2083331006 VEKPMHXTVYFHSU-CYBMUJFWSA-N 473.817 6.956 50 10 JKGE CCn1cc([C@@H](Cl)c2ccc(Br)cc2Br)nc1Br 2083331933 DWZXVFRXYDXELA-NSHDSACASA-N 457.391 5.519 50 10 JKGE Cc1cc(Br)c(F)c([C@@H](Cl)c2cc(Br)ccc2Br)c1 2089378086 MVXPHXAJRHKUGI-ZDUSSCGKSA-N 471.389 6.750 50 10 JKGE Fc1ccccc1[C@H](CBr)Cc1cccc(Br)c1Br 2092335604 OVHFDCATEJDLHQ-NSHDSACASA-N 450.971 6.072 50 10 JKGE Fc1cc(Br)ccc1CC[C@H](Br)c1ccccc1Br 2113442368 QFRAMPLTZWSWOP-AWEZNQCLSA-N 450.971 6.420 50 10 JKGE C[C@H](CCCCCI)NC(=O)c1c(Cl)cccc1Br 2117881710 JYSROQVQHBPVQW-SNVBAGLBSA-N 458.565 5.216 50 10 JKGE Cc1ccc([C@@H](Cl)c2ccc(Br)c(C)c2Br)cc1Br 2138860329 DTOIIQWHMHNXAJ-OAHLLOKOSA-N 467.426 6.919 50 10 JKGE CC1(C)C[C@H](Br)C[C@@H](NC(=O)c2cccc(Br)c2Br)C1 2148751564 QJTJUAFMTFYHKU-NXEZZACHSA-N 468.027 5.284 50 10 JKGE CC1(C)C[C@@H](CCOc2c(Br)cc(Br)cc2CBr)CO1 2159290420 KDPOZTMUPXCBAK-SNVBAGLBSA-N 471.027 5.691 50 10 JKGE COc1cc(CBr)ccc1S(=O)(=O)N(Cc1ccccc1)Cc1cccs1 2179860028 MHHPEFJNRAXBIN-UHFFFAOYSA-N 466.422 5.043 50 10 JKGE BrCc1cc(Br)cc(Br)c1OC[C@H]1C[C@@H]2CCC[C@@H]2C1 2183361551 YZHDXNSHMJFTSU-CNDDSTCGSA-N 467.039 6.312 50 10 JKGE Cc1cc(Cl)c(Br)cc1[C@H](Br)Cc1c(Cl)cccc1Cl 2202368949 ZGIYXWULHAVTSQ-LLVKDONJSA-N 457.420 7.396 50 10 JKGE Cc1cc([C@@H](Cl)c2cc(Br)sc2Br)cc(C)c1Br 2220199892 IUIFKIGTCDWMAD-GFCCVEGCSA-N 473.455 6.981 50 10 JKGE CCCn1nc(Br)cc1C[C@@H](Br)c1ccc(Br)cc1 2224287282 NODDLJOFPCBWKX-CYBMUJFWSA-N 451.000 5.497 50 10 JKGE Fc1cc(Cl)ccc1[C@@H](Br)c1cc(Br)c(Br)cc1F 2225618698 ZQRNZEYMSJSYEP-CYBMUJFWSA-N 475.352 6.628 50 10 JKGE COc1cc(Br)c([C@H](Br)c2cc(Br)sc2C)cc1C 2227735431 AFOHVAUSAYQVBY-CQSZACIVSA-N 469.036 6.383 50 10 JKGE Cc1ccc(I)c([C@H](Br)c2cc(Cl)c(F)cc2Cl)c1 2232221584 BPZCKKAKPGBQLH-CQSZACIVSA-N 473.938 6.530 50 10 JKGE COc1c(C)cc(Br)c(C)c1[C@H](Br)c1cc(Br)c(C)s1 2234475189 PXVAOMBLJZIAJR-CQSZACIVSA-N 483.063 6.691 50 10 JKGE Cc1sc([C@@H](Br)c2cc(Br)c3c(c2)C[C@H](C)O3)cc1Br 2234479291 FLRSNFFJRXRLKV-WJWGPLDTSA-N 481.047 6.389 50 10 JKGE Cc1cccc(Br)c1[C@@H](Br)c1ccc2c(c1Br)CCO2 2238075799 FFQWHJFNZVAVOP-INIZCTEOSA-N 460.991 5.939 50 10 JKGE Clc1cc(I)c(OCCCCCCBr)c2ncccc12 2239555501 XEBOAMCOCBGZJN-UHFFFAOYSA-N 468.560 5.827 50 10 JKGE CCc1cc([C@H](Br)c2c(Br)nn(C)c2C)sc1Br 2256052177 JBKBHHUKVPNSCM-JTQLQIEISA-N 457.029 5.362 50 10 JKGE COC[C@]1(C)C[C@H]1[C@H](Br)c1c(C)c(Br)cc(C)c1Br 2269277287 BXKATWILBGNCRE-LKTVYLICSA-N 455.028 5.937 50 10 JKGE COc1ccc(CBr)c(Oc2cc(I)ccc2Cl)n1 2272634353 QFPLIYKPOQHPGL-UHFFFAOYSA-N 454.489 5.035 50 10 JKGE Fc1cc(Br)c(F)c(Br)c1[C@H](Br)[C@@H]1C[C@H]2C[C@H]2CO1 2272747540 LGGNAJMJLXRCER-DWCSTSAWSA-N 460.938 5.351 50 10 JKGE C[C@H]1CCC[C@H](CCOc2c(Br)cc(CBr)cc2Br)C1 2279845258 LRCFACBCFWDJDJ-NWDGAFQWSA-N 469.055 6.702 50 10 JKGE C[C@@H]1COc2ccc([C@H](Br)c3ccc(Cl)c(I)c3)cc21 2283575980 AOQAAELGOVAXBE-ABKXIKBNSA-N 463.540 5.925 50 10 JKGE Cc1cc(Br)c(C)c([C@H](Br)C2CC3(CC(C)C3)C2)c1Br 2287685305 FVUJZMZQDCUCNQ-OOKHJEJASA-N 465.067 7.091 50 10 JKGE Cc1ccc(C[C@H]2SC(=C(C#N)C(=O)Nc3ccccc3)N(c3ccc(C)cc3)C2=O)cc1 2293038992 RKDWDPHLCUUFOK-XMMPIXPASA-N 453.567 5.368 50 10 JKGE Cc1ccc(-c2nnc(SCC(=O)NN=CC=Cc3ccccc3[N+](=O)[O-])n2-c2ccccc2)cc1 2293142424 ZZTZUVHRBANHKQ-UHFFFAOYSA-N 498.568 5.058 50 10 JKGE Cc1ccc(NC(=O)C(C#N)=Cc2cc(Cl)cc(Cl)c2OCCOc2ccc(C)c(C)c2)cc1 2293488598 LJUBLPXJRIUMJH-UHFFFAOYSA-N 495.406 6.922 50 10 JKGE O=C(NN=CC=Cc1ccccc1)c1cc(-c2cccc(OCc3ccc(Cl)cc3)c2)[nH]n1 2293704403 RPXPDOCJGUHQJQ-UHFFFAOYSA-N 456.933 5.738 50 10 JKGE COc1c(C)cc(C)cc1[C@H](Br)c1cc(Br)ccc1Br 2295357726 OWRLLORGGOYSMT-OAHLLOKOSA-N 463.007 6.321 50 10 JKGE CCN(CC)CCOC(=O)c1ccc(NC=C(C#N)c2nc(-c3ccc(F)cc3)cs2)cc1 2296049203 FDCPMFOEDVWYNZ-UHFFFAOYSA-N 464.566 5.424 50 10 JKGE CCOC(=O)c1ccc(NC=C(C#N)c2nc(-c3ccc(C4CCCCC4)cc3)cs2)cc1 2296798464 XDPCWZUVDRPVBT-UHFFFAOYSA-N 457.599 7.011 50 10 JKGE FC(F)(F)COC[C@H](Br)c1ccc(OCc2ccccc2)cc1Br 2299494339 IEDGVRGLOLHFMR-INIZCTEOSA-N 468.107 6.043 50 10 JKGE Brc1ccc(OCc2ccccc2)c([C@H](Br)[C@@H]2CCC[C@@H]3C[C@@H]32)c1 2299501238 MELPQNRTPVPBTN-LAVAIGHBSA-N 450.214 6.900 50 10 JKGE CC[C@@]1(C)[C@@H](Oc2cc(Br)cc(I)c2)C[C@H]1Br 2301129084 BXNAVEJGRKWYMR-FRRDWIJNSA-N 473.974 5.385 50 10 JKGE Brc1cccc(Br)c1COC1(CI)CCCC1 2302102124 SRGIKTKGYZGCPD-UHFFFAOYSA-N 473.974 5.476 50 10 JKGE CCOc1ccc(NC(=O)C(C#N)=Cc2ccc(-c3ccc(Br)c(C)c3)o2)cc1 2313548796 FZSBIZHGPZPJCW-UHFFFAOYSA-N 451.320 5.962 50 10 JKGE COC[C@@H]1CC[C@@H]([C@@H](Br)c2cc(Br)ccc2OCc2ccccc2)C1 2314441029 VLWPIIGEAJGVHP-CBGDNZLLSA-N 468.229 6.527 50 10 JKGE COC1([C@H](Br)c2ccc(OCc3ccccc3)cc2Br)CC(CF)C1 2314447191 YWUDLVJYYXPOQI-KHPNHKCMSA-N 472.192 6.229 50 10 JKGE CC[C@H]1CC[C@H]([C@H](Br)c2ccc(OCc3ccccc3)cc2Br)CC1 2314449594 RDSAJNUKFFHZBM-ZJBJCVSYSA-N 466.257 7.681 50 10 JKGE N#CC(=Cc1ccc(-c2ccc(C(=O)O)cc2)o1)c1nc(-c2cc3ccccc3oc2=O)cs1 2314490229 YONFTVAXHARZLE-UHFFFAOYSA-N 466.474 5.939 50 10 JKGE CCCCNC(=O)C(C#N)=Cc1ccc(OC(=O)c2ccc(-c3ccccc3)cc2)c(OC)c1 2314777242 USOGOECCMVPQEN-UHFFFAOYSA-N 454.526 5.405 50 10 JKGE CCCOc1ccccc1C=C(C#N)C(=O)Nc1scc(-c2ccc(CC)cc2)c1C(=O)OC 2314796012 NMHDVIJIXAVNSZ-UHFFFAOYSA-N 474.582 6.099 50 10 JKGE Fc1c(Br)cc(Cl)c([C@H](Br)C23CC(CO2)C3)c1Br 2315461430 AZMWXEJFTDBHGK-JTIOZCSCSA-N 463.366 5.619 50 10 JKGE FC(F)(F)[C@@H]1CCO[C@@H]1[C@H](Br)c1sc(Cl)cc1I 2316597066 MUFBGSHRRIVJIU-WDZBIPAOSA-N 475.495 5.410 50 10 JKGE Cc1nc(OCc2cc(I)ccc2Cl)sc1CBr 2327241424 BZQZZPIDXGSVEL-UHFFFAOYSA-N 458.546 5.183 50 10 JKGE CCOC(=O)c1c(-c2ccc(C(C)C)cc2)csc1NC(=O)C(C#N)=Cc1ccc(F)cc1 2329639415 PEWICFZPGFPOSZ-UHFFFAOYSA-N 462.546 6.400 50 10 JKGE CC(C)(C)c1csc(C(C#N)=C(O)CCCOc2ccc(Br)cc2Cl)n1 2331307144 KQPSYOLCIOBWGN-UHFFFAOYSA-N 455.805 6.508 50 10 JKGE COc1ccc(OC)c(C=CC(O)=C(C#N)c2nc(-c3cc(OC)ccc3OC)cs2)c1 2331325923 DDKMSAVELORHGW-UHFFFAOYSA-N 450.516 5.351 50 10 JKGE CCCCCCCOc1ccc(-c2csc(C(C#N)=C(O)Cc3cc(OC)ccc3OC)n2)cc1 2331344923 ZEKBNNDQSSPDKW-UHFFFAOYSA-N 492.641 7.212 50 10 JKGE COC(=O)c1ccc(C=CC(O)=C(C#N)c2nc(-c3cc(C(C)C)c(OC)cc3C)cs2)cc1 2331356140 UDVWRNMYJOFDMK-UHFFFAOYSA-N 474.582 6.543 50 10 JKGE COc1cc(OC)c(-c2csc(C(C#N)=C(O)c3ccc(-c4ccccc4)cc3)n2)cc1Cl 2331377520 HGRJXGKPGPRNCZ-UHFFFAOYSA-N 474.969 7.098 50 10 JKGE CCCCCCOc1ccc(C=C(C#N)c2nc(-c3ccc4c(c3)CCCC4)cs2)cc1OC 2331416728 NCNLVIPHNIYYNZ-UHFFFAOYSA-N 472.654 7.721 50 10 JKGE CCCCCCCOc1ccc(-c2csc(C(C#N)=Cc3cc(Cl)c(O)c(OC)c3)n2)cc1 2331460641 OMNAYJMOULJZGA-UHFFFAOYSA-N 483.033 7.591 50 10 JKGE COc1ccc(C(C)(C)C)cc1-c1csc(C(C#N)=Cc2cc(OC)c(O)c(OC)c2)n1 2331462680 DONBPVRRBOWMSB-UHFFFAOYSA-N 450.560 5.903 50 10 JKGE CCOc1c(Br)cc(C=C(C#N)c2nc(-c3cc(C)c(OC)cc3C)cs2)cc1OC 2331485606 JWSBHLFJPNIQDU-UHFFFAOYSA-N 499.430 6.670 50 10 JKGE Cc1c(Br)ccc([C@H](Br)[C@H]2CO[C@]3(C)C[C@H]2C3)c1Br 2337698544 VKLTWZSDEFCVOH-LHAJWOIZSA-N 453.012 5.771 50 10 JKGE Cc1cc(Br)c(F)c(Br)c1[C@@H](Br)[C@@H]1[C@@H]2CCCO[C@@H]21 2339685632 HXFOYLADFORAST-XICLKBMKSA-N 456.975 5.520 50 10 JKGE C[C@@H](c1ccncc1F)[C@H](Cl)c1ccc(Br)cc1I 2344710041 GYWRNZKSQOPBCL-RTHLEPHNSA-N 454.508 5.671 50 10 JKGE CCN(C[C@@](C)(CI)OC[C@@H]1C[C@H]1C1CCCCCC1)C(=O)OC(C)(C)C 2357871882 OOACREPXAZYTAM-CNNODRBYSA-N 493.470 6.060 50 10 JKGE Cc1nn(C)c(Br)c1[C@H](Cl)c1c(F)cc(Cl)c(Br)c1Cl 2360426338 KNLWPZMDVNJZAO-JTQLQIEISA-N 465.375 6.028 50 10 JKGE Cc1cc(I)c(O[C@@H]2C[C@@H](Br)[C@@H]2OCC(C)C)cc1Cl 2361689036 HIIPHYRBTKBDLD-KMUNFCNLSA-N 473.576 5.209 50 10 JKGE COc1c(Br)cc(C)c([C@@H](Br)[C@@H]2CCCC2(C)C)c1Br 2365231899 ORAUYMJMPXUEQI-GWCFXTLKSA-N 469.055 6.791 50 10 JKGE Clc1ccc(CN2CCCC23CCC(Br)CC3)c(I)c1 2366722173 BSVXXTNIVRLJIG-UHFFFAOYSA-N 468.604 5.617 50 10 JKGE Clc1cc(Br)c([C@H](Br)C[C@@H]2CC[C@H]2C2CC2)c(Cl)c1Cl 2367952244 ZMCAETQDLZPTIR-LPEHRKFASA-N 461.452 7.672 50 10 JKGE BrCC1C[C@@H]2C[C@H](C1)CN(Cc1cccc(Br)c1Br)C2 2368377325 SQUKZTNAKZMZLP-YHWZYXNKSA-N 466.055 5.455 50 10 JKGE O=C(c1csc(Br)c1Br)N1C[C@H]2CC(CBr)C[C@@H](C2)C1 2368392170 AMTQDYDHQYVBCP-UWVGGRQHSA-N 486.067 5.156 50 10 JKGE COC1(C(F)F)CC([C@H](Br)c2ccc(Br)c(C)c2Br)C1 2368973394 VCBKFXQMFPYWDT-ZAQGZADTSA-N 476.981 6.016 50 10 JKGE COc1cc(Cl)cc(CBr)c1OCc1sc(Cl)cc1Br 2372269352 CZEJOYMXIQVGPS-UHFFFAOYSA-N 461.002 6.300 50 10 JKGE O=C(Oc1ccc(/C=N/NC(=O)c2ccccc2Cl)cc1)c1ccc(Br)cc1 3658087 ZXQRMCBXQKXAAL-ZMOGYAJESA-N 457.711 5.086 50 10 JKGE N#C/C(=C\c1ccc(OCc2c(Cl)cccc2Cl)cc1)C(=O)Nc1ccc([N+](=O)[O-])cc1O 12555941 KXRBXEGPKLORHP-XNTDXEJSSA-N 484.295 5.732 50 10 JKGE N#C/C(=C/c1cn(Cc2ccccc2)nc1-c1ccccc1)C(=O)Nc1cc(Cl)ccc1Cl 35004954 IQBLWIHTVJVZLN-MOSHPQCFSA-N 473.363 6.451 50 10 JKGE CCn1c2ccccc2c2cc(NC(=O)[C@@]34CC[C@@](C)(C(=O)[C@@H]3Br)C4(C)C)ccc21 35548634 YQWWUZRVNSEASF-KSNOWIBYSA-N 467.407 5.912 50 10 JKGE CCCCCOc1ccccc1[C@H]1C(C#N)=C(N)Oc2cc(OC(=O)c3cccc(OCC)c3)ccc21 38686172 CGTJWMAKMXTMLG-MUUNZHRXSA-N 498.579 6.092 50 10 JKGE N#C/C(=C\c1cc([N+](=O)[O-])ccc1OCC(=O)Nc1nccs1)c1nc(-c2cccs2)cs1 39842888 FVVGBMJVNHRYQS-RIYZIHGNSA-N 495.567 5.318 50 10 JKGE Cc1c(C(=O)Nc2cc(Cl)cc(Cl)c2)oc2c1/C(=N/NC(=O)c1cccnc1)CCC2 40814117 BDSOTYDTLRFYNB-WPWMEQJKSA-N 457.317 5.013 50 10 JKGE Cc1occc1C(=O)N/N=C1\CCCc2oc(C(=O)Nc3ccc(Oc4ccccc4)cc3)c(C)c21 40823373 LWIPTMURBFAURK-JJKYIXSRSA-N 483.524 6.004 50 10 JKGE Cc1c(C(=O)Nc2ccccc2C(F)(F)F)oc2c1/C(=N/NC(=O)c1cccs1)CCC2 40823682 UWBCBEHADCCQKE-JFLMPSFJSA-N 461.465 5.391 50 10 JKGE CCOC(=O)/C(C#N)=C/c1ccc(OC(=O)COc2ccc(-c3ccccc3)cc2)c(OCC)c1 40867300 HOVJJHSFBOBVJM-XQNSMLJCSA-N 471.509 5.207 50 10 JKGE C=CCc1cc(/C=N\NC(=O)CC[C@H](O)c2ccc(OCC)cc2)ccc1OCc1ccc(C)cc1 58895103 NCGHMPCDFSRUTF-LEWMOKLLSA-N 486.612 5.665 50 10 JKGE CCCCCCOc1ccccc1C(=O)N/N=C/c1ccc(OS(=O)(=O)c2ccccc2)cc1 59377331 IWVZYZSDPAPWGR-NHFJDJAPSA-N 480.586 5.177 50 10 JKGE C[C@@H]1CCCC[C@H]1NC(=O)[C@@H](c1ccc(Cl)cc1)N(Cc1cccc(Cl)c1)C(=O)CCl 97914286 BZXUWBIOFLUDGQ-FQQGMQMYSA-N 481.851 5.997 50 10 JKGE CCCOc1ccc2cc(C(=O)O/N=C3\C[C@H]4CC[C@@]3(C)[C@@]4(C)CBr)c(=O)oc2c1 100948999 WHGOGAJUINOKEW-PJUJYTKKSA-N 476.367 5.316 50 10 JKGE CC1=C(C#N)C(=O)N([C@H](C)c2ccccc2)C(=O)/C1=C/c1ccc(-c2cccc(Cl)c2Cl)o1 101337812 ZOGCHBFEPNXSDJ-RBYWHNRPSA-N 477.347 6.607 50 10 JKGE CCCCCCCC(CBr)(CBr)c1ccc(Br)cc1 118878512 MSAHHGRRUGLGPI-UHFFFAOYSA-N 455.072 6.837 50 10 JKGE Fc1c([C@H](Br)c2cc(Br)sc2Br)cccc1C(F)(F)F 125545595 UZUXFCRSXCIACU-VIFPVBQESA-N 496.943 6.915 50 10 JKGE COc1c(C)cc(Br)c(C)c1[C@@H](Br)c1cc(Cl)ccc1Cl 125683480 QZFJJHFKLHRZKQ-HNNXBMFYSA-N 453.001 6.866 50 10 JKGE COc1cc(OC)cc([C@H](Br)c2cc(Br)c(Br)s2)c1 128194070 VSOCIJYLSUOYRS-LBPRGKRZSA-N 471.008 5.775 50 10 JKGE ClCC(CCl)(Cc1ccc(Br)cc1Cl)c1ccc(Br)cc1 168966650 TYQFSVOICGETTC-UHFFFAOYSA-N 471.447 6.823 50 10 JKGE CCCCCCCCCCCCCC(=O)N/N=C/c1cn(-c2ccccc2)nc1-c1cccc(C)c1 198739002 KAHWQROIEOBLAQ-FEZSWGLMSA-N 486.704 7.999 50 10 JKGE C[C@@H](CCCO)[C@H]1CC[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@@]21C 199858911 YORJZEWEGWVASD-NNJJVJDCSA-N 474.846 8.364 50 10 JKGE COc1cccc(C[C@H](Br)c2cc(Cl)ccc2I)c1 234987211 HPDQKYVGOTVIQV-AWEZNQCLSA-N 451.529 5.632 50 10 JKGE Clc1cc([C@@H](Cl)c2cc(Br)ccc2I)c(Cl)s1 236039400 RBECEXVKSPOCJO-JTQLQIEISA-N 482.395 6.750 50 10 JKGE Fc1ccc([C@H](Br)c2ccc(Br)s2)c(I)c1 236248532 JSTNQECNMOOMTN-NSHDSACASA-N 475.946 5.739 50 10 JKGE CC(=NNC(=O)c1cc(-c2ccc(OCc3ccccc3Cl)cc2)n[nH]1)c1ccc(N)cc1 254394261 KFRVHGZSBXWVMY-UHFFFAOYSA-N 459.937 5.045 50 10 JKGE Cc1ccc(-n2c(SCC(=O)NN=Cc3cccc4ccccc34)nnc2-c2ccccc2)cc1 254486349 VAZWBEHDUPMVJO-UHFFFAOYSA-N 477.593 5.638 50 10 JKGE BrCc1cc2cc(I)sc2cc1I 307051580 NOSTYCIZWJTNML-UHFFFAOYSA-N 478.918 5.005 50 10 JKGE C[C@@H](CCn1c([C@@H](C)Cl)nc2cc(Br)c(F)cc21)N(C)Cc1ccccc1 379600990 ATFWNGZAEGJTLW-LSDHHAIUSA-N 452.799 6.148 50 10 JKGE Cl[C@@H](c1ccc(I)cc1)c1cc(I)cc2c1OCC2 381650378 JDXYZTMXNKHPRH-AWEZNQCLSA-N 496.513 5.159 50 10 JKGE C[C@@H](Cl)c1nc2ccc(Br)cc2n1CCCOCCOCc1ccccc1 390673400 WEYXSODNDIDZMT-MRXNPFEDSA-N 451.792 5.722 50 10 JKGE C[C@H](Cl)c1nc2c(Br)cccc2n1CCCN(Cc1ccccc1)Cc1ccccc1 390683624 YUTYZVNBDMTMCL-FQEVSTJZSA-N 496.880 7.191 50 10 JKGE FC(F)(F)[C@H](Br)c1ccc(OCc2ccccc2)cc1OCc1ccccc1 390716553 AACKMFKTISUVSE-OAQYLSRUSA-N 451.282 6.843 50 10 JKGE Fc1cc(F)c(F)c([C@@H](Br)c2ccc(I)c(Cl)c2)c1F 395754311 HHGBEQSFYVGTGQ-NSHDSACASA-N 479.436 5.985 50 10 JKGE CC(C)(C)c1nc(-c2cc(Br)ccc2I)oc1CCl 401166662 RGGWTMMIAUUGGE-UHFFFAOYSA-N 454.533 5.745 50 10 JKGE Brc1cscc1[C@@H](Br)c1cc2c(cc1Br)OCC2 404801321 KBYIXVFYIBUCKH-ZDUSSCGKSA-N 452.993 5.692 50 10 JKGE CN(C(=O)OC(C)(C)C)c1ccc([C@H]2CCN(CCO[Si](C)(C)C(C)(C)C)c3ccccc32)cc1 616591028 VATSDIGILYABKE-XMMPIXPASA-N 496.768 7.422 50 10 JKGE CN(C(=O)OC(C)(C)C)c1cccc([C@H]2CCN(CCO[Si](C)(C)C(C)(C)C)CCO2)c1 616596238 SYPXZQYAPRRMSJ-JOCHJYFZSA-N 464.723 5.843 50 10 JKGE CC(C)(C)[Si](C)(C)OCCc1cccc([C@@H]2CCCN(CCO[Si](C)(C)C(C)(C)C)CC2)c1 616600434 FOQCLJVSOPXKEV-RUZDIDTESA-N 491.909 7.842 50 10 JKGE Cc1cc(Br)c([C@H](Br)[C@H]2CCCC3(CC3)C2)cc1Br 696529723 VEBDCXNOKMLHIF-XHDPSFHLSA-N 451.040 6.926 50 10 JKGE BrCC(CBr)(Cc1cccc(Br)c1)C1CCCCCC1 696863752 BELKZNDQDPAMDU-UHFFFAOYSA-N 467.083 6.738 50 10 JKGE C[C@]12CN(Cc3ccccc3)C[C@]1(C)CN(c1ccc(F)c(Cl)c1CBr)C2 705960855 CPUBADVGWMPJSD-FGZHOGPDSA-N 451.811 5.722 50 10 JKGE COCc1cc(Br)c([C@@H](Br)c2ccc(OCc3ccccc3)cc2)s1 710888132 FTFXQSWNCPBVBG-IBGZPJMESA-N 482.237 6.720 50 10 JKGE C[C@@H]1Cc2cc(Br)cc([C@@H](Br)c3ccoc3Br)c2O1 720029555 BIGOWRFKNJTXFY-KRTXAFLBSA-N 450.952 5.612 50 10 JKGE Cl[C@H](c1ccc(I)c(Br)c1)c1ccc2c(c1)CCCO2 721617132 VVHBWUGKIUMBFF-INIZCTEOSA-N 463.540 5.707 50 10 JKGE Fc1ccc2nc(CCl)n(CC[C@@H]3CCN(Cc4ccccc4)C3)c2c1Br 723938893 XVHBFNLENTUXMA-INIZCTEOSA-N 450.783 5.589 50 10 JKGE O=C(NN=Cc1ccc(Br)cc1)c1ccc(NC(=O)c2ccc(Cl)cc2)cc1 1084522548 HUQBAAPYRUZEEK-UHFFFAOYSA-N 456.727 5.119 50 10 JKGE COc1cc(/C=C(/C#N)C(=O)Nc2cccc3ccccc23)ccc1OCc1ccc(F)cc1 1084632410 BUOOAHCBUSDEJA-JCMHNJIXSA-N 452.485 6.112 50 10 JKGE CC(C)(C)c1ccc(OCCCC(=O)NN=Cc2ccc(Br)o2)c(Br)c1 1772755944 VPDJPCQRNMYWSD-UHFFFAOYSA-N 486.204 5.411 50 10 JKGE CCCCOc1ccc([C@@H]2C(C#N)=C(N)Oc3c2c(CCC)nn3Cc2ccc(Cl)cc2)cc1 1865692163 JRUTVBOWISOQOT-XMMPIXPASA-N 477.008 5.934 50 10 JKGE CCCCCCOc1ccc([C@@H]2C(C#N)=C(N)Oc3c2c(C(F)(F)F)nn3CC)cc1OC 1865696140 KJJSFJOJGWNRDI-GOSISDBHSA-N 464.488 5.108 50 10 JKGE CCCc1nn(Cc2ccccc2F)c2c1[C@@H](c1cc(Br)ccc1F)C(C#N)=C(N)O2 1865701650 ANFHYSUJRJDWQE-FQEVSTJZSA-N 485.332 5.143 50 10 JKGE Cc1ccc(Cn2nc(-c3ccccc3)c3c2OC(N)=C(C#N)[C@@H]3c2ccc(F)cc2F)cc1 1865701819 GFJMHGCJPBILTP-QHCPKHFHSA-N 454.480 5.403 50 10 JKGE CCCOc1ccccc1[C@@H]1C(C#N)=C(N)Oc2c1c(-c1ccccc1)nn2Cc1cccc(F)c1 1865703658 YJRZMCRXPNMPIG-RUZDIDTESA-N 480.543 5.744 50 10 JKGE Cc1ccc(C(C)(C)CCC(=O)N[C@@H](C(=O)Nc2ccc(SC#N)cc2)c2ccccc2)cc1 1866792612 SQYJLCJFAGNHMV-AREMUKBSSA-N 471.626 6.122 50 10 JKGE CC(C)c1nc(Nc2ccc(SC#N)cc2)cc(N2CCC(Oc3ccc(Cl)cc3)CC2)n1 1868231992 ZHKAPSUWGMAMHG-UHFFFAOYSA-N 480.037 6.618 50 10 JKGE CC[C@H](C)N1C(=O)c2ccc(/C(O)=C(\C#N)c3nc(-c4ccc(Cl)cc4Cl)cs3)cc2C1=O 1872745035 UJAXMIMRJPYVPA-LCDJAWGCSA-N 498.391 6.461 50 10 JKGE CCc1cccc(C)c1N1C[C@@H](/C(O)=C(\C#N)c2nc(-c3cccc4ccccc34)cs2)CC1=O 1872752321 WUECKYCZCOYTJJ-QTEAAIINSA-N 479.605 6.680 50 10 JKGE COc1c(C)cc(C)cc1-c1csc(/C(C#N)=C(\O)c2ccccc2C(=O)c2ccccc2)n1 1872754760 HLKFHVGKDDZVHE-RWEWTDSWSA-N 466.562 6.616 50 10 JKGE C=CCOc1ccccc1OC/C(O)=C(\C#N)c1nc(-c2cc(Cl)ccc2OC)cs1 1872758456 AVEABJYSCHADLV-ZPHPHTNESA-N 454.935 5.909 50 10 JKGE COc1ccc(Cl)cc1-c1csc(/C(C#N)=C(\O)c2ccc(N(C)C)c([N+](=O)[O-])c2)n1 1872758786 QLZHUNOYNHIDTK-HKWRFOASSA-N 456.911 5.396 50 10 JKGE CCCCCCCCCOc1ccc(/C=N/NC(=O)[C@H](C)NC(=O)OC(C)(C)C)cc1Cl 1873794523 MXBDSDNSWUKKMD-WYZSWBMLSA-N 468.038 5.833 50 10 JKGE COc1ccc(C)cc1-c1csc(/C(C#N)=C(\O)CCCOc2ccc3ccccc3c2)n1 1873920791 KKOSRQNWJQUOHS-BZZOAKBMSA-N 456.567 6.932 50 10 JKGE CC[C@@H]1C[C@H]1C[C@H](Br)c1c(Br)sc(Br)c1Br 1902804847 XPKXOSUXRXFOFQ-VQVTYTSYSA-N 495.900 6.908 50 10 JKGE C[C@@H](Br)CN(Cc1ccccc1)C(=O)c1ccc(Br)cc1Br 1914612543 IKBFUWUGAJGONV-GFCCVEGCSA-N 490.033 5.637 50 10 JKGE O=C(c1cc(C(F)(F)F)ccc1Br)N(Cc1ccccc1)C1(CCl)CCC1 1915749408 JXDMPMDBYSNYTL-UHFFFAOYSA-N 460.721 6.272 50 10 JKGE O=C(c1cccc(Br)c1F)N(Cc1ccccc1)C1(CBr)CCC1 1915757278 XRHFWIKHKVLWKF-UHFFFAOYSA-N 455.165 5.548 50 10 JKGE Cc1cc([C@@H](Br)c2sc(Br)cc2Br)ccc1Cl 1922934510 HMNRRWUICIRSLY-LLVKDONJSA-N 459.428 6.719 50 10 JKGE Clc1c(Br)sc(Br)c1[C@@H](Br)C1CC(C2CC2)C1 1923063053 VOTNWBBDHXQCRR-IEIXJENWSA-N 463.460 6.799 50 10 JKGE Fc1ccc(F)c([C@@H](Cl)c2c(Br)sc(Br)c2Cl)c1F 1923068363 QHWFOIIMYWIURI-SSDOTTSWSA-N 454.920 6.672 50 10 JKGE Cl[C@H](c1cccc(C2CC2)c1)c1c(Br)sc(Br)c1Br 1924568017 AMNSBAPDEIFBJY-GFCCVEGCSA-N 485.466 7.241 50 10 JKGE Fc1cccc(C[C@@H](Cl)c2c(Br)sc(Br)c2Br)c1 1924586114 UHTMJCQBVNXPOW-MRVPVSSYSA-N 477.418 6.697 50 10 JKGE BrCc1ccc(N2CCCN(Cc3ccccc3)CCC2)cc1Br 1947186269 DYZYORIUKCPJCT-UHFFFAOYSA-N 452.234 5.446 50 10 JKGE Cc1cc(Br)cc([C@H](Br)c2sc(Cl)cc2Br)c1 1948827705 CTEIVENFAKKKGI-NSHDSACASA-N 459.428 6.719 50 10 JKGE Clc1cc(Br)c([C@@H](Br)c2ccc(Cl)c(Br)c2)s1 1948829254 RQLNEHXQKTWUHA-JTQLQIEISA-N 479.846 7.064 50 10 JKGE Fc1cc([C@@H](Br)c2cscc2OCc2ccccc2)c(F)cc1Br 1950320175 LUWSNICVMLKZAI-GOSISDBHSA-N 474.164 6.852 50 10 JKGE COc1sc([C@@H](Br)c2cc(C)sc2Br)cc1Br 1951016963 WLHGGGXRYLBIQT-VIFPVBQESA-N 461.038 6.136 50 10 JKGE Clc1sc([C@H](Cl)c2sc(Br)cc2Br)cc1Br 1981401648 MDQZSXVWXSANAG-ZETCQYMHSA-N 485.875 7.079 50 10 JKGE Clc1ccc(C[C@@H](Br)c2c(Br)cccc2Br)cc1 2033090770 JJZOVHHTKIPGOA-CYBMUJFWSA-N 453.399 6.544 50 10 JKGE CC1=C(Br)CN(c2c(CBr)ccc(Br)c2Cl)CC1 2036844172 DEBJVMQKYKVKBL-UHFFFAOYSA-N 458.419 5.876 50 10 JKGE CCN(C[C@@](C)(CI)OC[C@@H]1CC12CCCCC2)C(=O)OC(C)(C)C 2077649048 LBUQVECJBICENJ-QFBILLFUSA-N 465.416 5.424 50 10 JKGE Clc1cc(Br)cc(C[C@@H](Br)c2cccc(Br)c2)c1 2081567132 YDHRACGCRACTEJ-CQSZACIVSA-N 453.399 6.544 50 10 JKGE COc1c(Cl)cc(Br)cc1[C@@H](Cl)c1cc(I)sn1 2082868675 QAOLYOCTRGTMJG-SNVBAGLBSA-N 478.964 5.500 50 10 JKGE C[C@@H]1CCO[C@@H]1CCOc1c(Br)cc(CBr)cc1Br 2101105622 VEKKLVHCAUKUOF-NOZJJQNGSA-N 457.000 5.300 50 10 JKGE Cc1sccc1CC(CBr)(CBr)c1ccc(Br)cc1 2101462243 PFSGGKJROKYBRU-UHFFFAOYSA-N 467.064 6.089 50 10 JKGE C[C@@]1(C(F)(F)F)C[C@@]1(CBr)Cc1c(Br)cccc1Br 2105517616 LSYLBBYPKOKFSU-VXGBXAGGSA-N 464.945 6.108 50 10 JKGE C[C@H]1CN(c2cc(Br)cc(F)c2CBr)[C@H](C)[C@@H](C)N1Cc1ccccc1 2114264512 OSSOGDQLVLKDBP-ARFHVFGLSA-N 484.251 5.971 50 10 JKGE Cc1cc(Br)c(CBr)c(N2CC[C@]3(CCN(Cc4ccccc4)C3)C2)c1 2116825025 XBWCXUQCVDHLBJ-QFIPXVFZSA-N 478.272 5.755 50 10 JKGE FC(F)(F)c1ccc(C[C@H](Br)c2cc(I)sn2)cc1 2120031147 GOTZNRWDXKXEOM-VIFPVBQESA-N 462.072 5.445 50 10 JKGE C[C@H](c1cc(Br)cs1)N(C)c1cc(Br)ccc1CBr 2130021238 JDNGIZVXJQYNIN-SECBINFHSA-N 468.052 6.365 50 10 JKGE Cc1cc(Br)c(C)c([C@H](Br)[C@@H]2[C@@H]3CCCO[C@H]32)c1Br 2136377087 LRGGISSSCNVKIF-MOUXYMJCSA-N 453.012 5.689 50 10 JKGE Cc1cc(Cl)c(Br)cc1[C@H](Cl)c1cccc(F)c1I 2137659297 NGJNKNSMECZUIV-CYBMUJFWSA-N 473.938 6.483 50 10 JKGE COc1c(Cl)cc(Br)cc1[C@@H](Br)c1cc(Cl)sc1Cl 2138242611 KWSDFLFSPBOMMQ-SNVBAGLBSA-N 465.421 6.964 50 10 JKGE Cc1c(Br)ccc([C@H](Cl)c2c(F)cccc2Br)c1Br 2138863871 NDYONTSRKTZYOQ-AWEZNQCLSA-N 471.389 6.750 50 10 JKGE O=C(c1ccc(Br)cc1I)[C@H](Cl)c1ccc(F)cc1 2142278669 GLIOOASVVLGUFI-CYBMUJFWSA-N 453.476 5.356 50 10 JKGE COc1cc(Br)c(C)cc1[C@@H](Cl)c1c(Br)cccc1Br 2150503595 NMGKURRKLCJANL-OAHLLOKOSA-N 483.425 6.619 50 10 JKGE COCC1(COc2c(Br)cc(CBr)cc2Br)CCCC1 2150603433 IEPGKBWDRHERCN-UHFFFAOYSA-N 471.027 5.692 50 10 JKGE CCn1ncc(Br)c1COc1c(C)cc(Br)cc1CBr 2150696229 WZTRQUZVSGFCQV-UHFFFAOYSA-N 466.999 5.210 50 10 JKGE COc1cc(Br)c([C@H](Br)c2cc(Br)sc2C)cc1OC 2152048708 YPQCHHJKKGMHEW-CQSZACIVSA-N 485.035 6.083 50 10 JKGE BrCc1cc(Br)cc(Br)c1OCc1nc(C2CC2)ns1 2158916082 XMLJPUVRVSIMDJ-UHFFFAOYSA-N 483.023 5.414 50 10 JKGE C[C@H](Cl)c1nc2cc(Br)c(Cl)cc2n1C(C)(C)CN(C)Cc1ccccc1 2160078746 LVEIXESUDQAXSF-AWEZNQCLSA-N 469.254 6.619 50 10 JKGE BrCc1ccc(Br)cc1N1CCC[C@@]2(CCCN(Cc3ccccc3)C2)C1 2163306394 KAJAWWIIZJXPHF-HSZRJFAPSA-N 492.299 6.227 50 10 JKGE Cc1c(Br)sc([C@H](Br)[C@@H]2C[C@@H]3CCCCCC[C@H]32)c1Br 2166120399 SVFLUXJLGWLYKJ-FMCLSXCISA-N 485.123 7.624 50 10 JKGE CC(F)(F)c1ccc([C@@H](Cl)c2c(Br)sc(Br)c2Cl)cc1 2184814683 OJYPDFNAPGHKRS-SECBINFHSA-N 464.984 7.366 50 10 JKGE CCCC(CBr)(CCC)CN1CCN(C(=O)OC(C)(C)C)[C@H](C(F)(F)F)C1 2186714666 JXBDJPNEFVUFIX-HNNXBMFYSA-N 459.391 5.452 50 10 JKGE CCCOc1cccc([C@H](Br)c2ccc(Br)cc2Br)c1 2203684718 HSMSNRGVUARZID-INIZCTEOSA-N 463.007 6.485 50 10 JKGE CC[C@@H](Br)CN(Cc1ccccc1)C[C@@H]1CC1(Br)Br 2208984632 YSKFOAKZEZDKSL-UONOGXRCSA-N 454.044 5.168 50 10 JKGE Cc1cc([C@H](Br)Cc2ccc(Br)cc2Cl)c(Br)s1 2221695905 UCEUHRVLIPTQMP-LLVKDONJSA-N 473.455 6.914 50 10 JKGE CC1(C)CCN(Cc2ccccc2)CCN1c1ccc(Br)cc1CBr 2223451911 DTLIZOKXBNADAN-UHFFFAOYSA-N 466.261 5.835 50 10 JKGE Fc1cc(Br)c(Br)cc1[C@@H](Br)Cc1ccccc1Cl 2225617804 RRITZWQZUYDBIK-JTQLQIEISA-N 471.389 6.683 50 10 JKGE Fc1cc(Br)c(Br)cc1[C@H](Br)[C@@H]1[C@H]2CCC(F)(F)[C@H]21 2225617881 SDANYNMSGLCOFI-DSXAJKCQSA-N 462.929 6.078 50 10 JKGE Cc1cc(Br)c([C@H](Br)[C@@H]2C[C@H]3CC[C@H]2C3)c(C)c1Br 2227350594 XNLXNAGJEJSBHH-PVTKRXDGSA-N 451.040 6.701 50 10 JKGE Cc1cc(Br)c([C@H](Br)C[C@@H]2CC[C@@H]3C[C@H]23)c(C)c1Br 2227363436 XUZAUTRTHPTUOA-OWTLIXCDSA-N 451.040 6.701 50 10 JKGE Cc1ccc(I)c([C@H](Cl)c2ccc(F)c(Br)c2F)c1 2232222678 KYPGHRTXUWCBFQ-CYBMUJFWSA-N 457.483 5.969 50 10 JKGE Cc1cc(Br)c([C@@H](Br)c2csc(Br)c2)c(C)c1F 2253509684 SFOFNFKQNSNDHV-LBPRGKRZSA-N 457.000 6.513 50 10 JKGE Cc1cc(Br)c([C@H](Br)c2cc(Br)co2)c(C)c1Cl 2258148388 POFWYOUJAMVCPN-GFCCVEGCSA-N 457.387 6.559 50 10 JKGE CCCC[C@@H](CC)[C@H](Br)c1c(F)cc(Br)c(F)c1Br 2272738625 IFKFYGLZZTWVOQ-PELKAZGASA-N 462.998 7.142 50 10 JKGE Brc1cccc(C[C@H](Br)c2cc3sc(Br)cc3s2)c1 2278098794 BCDULQAAAMMFJV-JTQLQIEISA-N 481.072 7.167 50 10 JKGE COc1ccc([C@@H](Br)c2c(F)cc(F)cc2F)cc1I 2284997971 JFYCOECJXFEYKM-CQSZACIVSA-N 457.027 5.201 50 10 JKGE COc1ccc([C@H](Cl)c2cc(Cl)c(C)c(Br)c2)cc1I 2285005327 VJIULEXUQKSIKU-HNNXBMFYSA-N 485.974 6.352 50 10 JKGE Fc1cc(Br)c(F)c(Br)c1[C@H](Br)Cc1ccc(Cl)cc1 2288350196 XOCGIAASIICOHW-SECBINFHSA-N 489.379 6.822 50 10 JKGE CC1([C@H](Br)Cc2cc(Br)cc(Br)c2)CCCCCCC1 2295330774 ZQPJJEJZCUFSCJ-MRXNPFEDSA-N 467.083 7.268 50 10 JKGE Cc1cc(Cl)c(Cl)cc1[C@@H](Br)c1cc2sc(Br)cc2s1 2295499758 CAGGTEIMGQAPEB-CQSZACIVSA-N 471.066 7.825 50 10 JKGE ClCc1cc(Cl)c(OCc2cccc(Br)c2Br)c(Cl)c1 2296308765 MOQYJJIIFGQHSN-UHFFFAOYSA-N 459.392 6.836 50 10 JKGE CCCCCCCCCCOc1ccc(C(=O)NN=Cc2ccc(OCC=CCl)cc2)cc1 2296536592 LAVDEMDRGKMXBF-UHFFFAOYSA-N 471.041 7.101 50 10 JKGE CCCSc1ccc(-c2nn(-c3ccccc3)cc2C=C(C#N)c2nc3ccccc3s2)cc1 2296731368 RPZIOBJAQFPBMC-UHFFFAOYSA-N 478.646 7.715 50 10 JKGE N#CC(=Cc1ccccc1[N+](=O)[O-])c1nc(-c2cc3c(ccc4ccccc43)oc2=O)cs1 2296802162 OUEJPOQGUWLYJM-UHFFFAOYSA-N 451.463 6.042 50 10 JKGE CCC1([C@@H](Br)c2cc(Br)ccc2OCc2ccccc2)CCCC1 2299496753 VFRKIARKAWHMJI-FQEVSTJZSA-N 452.230 7.435 50 10 JKGE FC1(F)CC[C@@H]([C@@H](Br)c2ccc(OCc3ccccc3)cc2Br)C1 2299496945 PJNGXNLUYRFAGU-RDTXWAMCSA-N 460.156 6.900 50 10 JKGE CC(C)C1CC([C@@H](Br)c2cc(Br)ccc2OCc2ccccc2)C1 2299503043 BPSJQWHIZPTJNG-MYKUNDNFSA-N 452.230 7.146 50 10 JKGE CCN(C[C@@](C)(CI)OC[C@](C)(CC)C(F)F)C(=O)OC(C)(C)C 2299749163 FXPYFOMFNNSDFS-DLBZAZTESA-N 463.347 5.135 50 10 JKGE Cn1cnc(Br)c1[C@@H](Br)c1cc(Br)ccc1Br 2300296010 GXCZOVSYLNTECE-VIFPVBQESA-N 487.815 5.192 50 10 JKGE CCOc1cc(C=C(C#N)c2ccccc2)cc(Br)c1OCc1ccc([N+](=O)[O-])cc1 2313521589 YBQGRIDUJMRCQL-UHFFFAOYSA-N 479.330 6.399 50 10 JKGE CCN(CC)c1ccc(-n2c(C)cc(C=C(C#N)C(=O)NCCc3c[nH]c4ccccc34)c2C)cc1 2313557014 QWZYWJYDBIBAEU-UHFFFAOYSA-N 479.628 5.688 50 10 JKGE Fc1cc(Cl)c(Br)c(Cl)c1[C@@H](Br)c1cc(Br)co1 2313813473 KYZWWGCEJGGOQN-JTQLQIEISA-N 481.768 6.735 50 10 JKGE FC1(F)CCOC[C@@H]1[C@H](Br)c1ccc(OCc2ccccc2)cc1Br 2314499618 DXIFHEVTHMVFJA-SJLPKXTDSA-N 476.155 6.136 50 10 JKGE CCc1ccc(C[C@@H]2SC(=C(C#N)C(=O)NCc3ccccc3)N(c3ccc(CC)cc3)C2=O)cc1 2314593779 SNJRTFYQOYOSLD-MHZLTWQESA-N 495.648 5.554 50 10 JKGE COc1cc(C=C(C#N)C(=O)NC(C)C)ccc1OC(=O)CCCOc1ccc(C(C)C)cc1 2314774009 OCOAHZKJQDXXAN-UHFFFAOYSA-N 464.562 5.015 50 10 JKGE CCCCNC(=O)C(C#N)=Cc1ccc(OC(=O)[C@@H](C)Oc2ccc(-c3ccccc3)cc2)cc1 2314785850 UJYYFRKGJAIHLF-OAQYLSRUSA-N 468.553 5.550 50 10 JKGE CC(C)(C)OC(=O)N1CCC[C@@](CBr)(OCc2cccc(Cl)c2Cl)C1 2317189818 LMQCDYOYWZKHPA-SFHVURJKSA-N 453.204 5.675 50 10 JKGE CC(C)c1ccc(-c2csc3nc(SCC(=O)NN=CC=Cc4ccccc4)nc(O)c23)cc1 2320487719 ZIXHQGDVTRUCHY-UHFFFAOYSA-N 488.638 6.095 50 10 JKGE CCCCCCCCCOc1ccc(C=C(C#N)c2nc3cc(C)c(C)cc3[nH]2)c(Cl)c1 2323839837 GJLVRZCYKDJWDF-UHFFFAOYSA-N 450.026 8.027 50 10 JKGE C[C@@]1(CBr)CCCCN1Cc1ccc(I)c(Br)c1 2325207278 OQOQACFWKQOUSF-AWEZNQCLSA-N 487.017 5.193 50 10 JKGE N#CC(=C(O)c1ccc(-c2ccccc2)cc1)c1nc(-c2ccc(Br)cc2)cs1 2331259779 ZQHSIYYSEQXFAZ-UHFFFAOYSA-N 459.368 7.189 50 10 JKGE COc1c(Cl)cc(Cl)cc1-c1csc(C(C#N)=C(O)[C@@H](C)Oc2ccc(Cl)cc2)n1 2331362874 WIBVBLPAYMWLJR-LLVKDONJSA-N 481.788 7.039 50 10 JKGE Brc1ccc(OCc2ccccc2)c([C@@H](Br)c2scc3c2CCCC3)c1 2336041855 RDAIZIFJZPMRPP-OAQYLSRUSA-N 492.276 7.453 50 10 JKGE Cn1nc(Br)c(Br)c1[C@H](Br)Cc1cc(Cl)cc(Cl)c1 2338691184 PKVPSEJESMHRKI-SECBINFHSA-N 491.836 5.931 50 10 JKGE Cc1cc(Br)c(F)c(Br)c1[C@H](Br)[C@@H]1C[C@]12CCOC2 2339681807 MANFCBOLWRUDCL-UPLXVJCVSA-N 456.975 5.522 50 10 JKGE Clc1ccc(CN2C[C@@H](Br)CCC23CCC3)c(I)c1 2341058881 GYEBSEKXWNRNLP-LBPRGKRZSA-N 454.577 5.227 50 10 JKGE CC1=C(C)C[C@@](CCl)(Cc2ccc(I)c(Br)c2)CC1 2349840066 LDCQLDIPPJXFPD-MRXNPFEDSA-N 453.589 6.342 50 10 JKGE Fc1cc([C@@H](Cl)c2cc(Br)ccc2OCc2ccccc2)c(F)c(F)c1F 2361194093 FRFKINUOUBZNFE-KRWDZBQOSA-N 459.664 6.913 50 10 JKGE COc1ccc([C@@H](Br)c2c(Cl)cc(Br)c(F)c2Br)cc1 2362229448 KACJLJFIQZAAJE-GFCCVEGCSA-N 487.388 6.497 50 10 JKGE COc1c(Br)cc(C)c([C@H](Br)[C@H](C)CC(C)(C)C)c1Br 2365192065 UHNNPTMSUUMMNB-ZWNOBZJWSA-N 471.071 7.037 50 10 JKGE CC[C@@H]([C@H](Br)c1c(C)cc(Br)c(OC)c1Br)C(C)(F)F 2365192378 BRJBRRFMVDRIJY-KWQFWETISA-N 478.997 6.646 50 10 JKGE Clc1ccc([C@H](Br)c2ccc3c(c2)OCCO3)c(I)c1 2365597759 KCPNIBNKIHPYJG-OAHLLOKOSA-N 465.512 5.200 50 10 JKGE Cc1ccc(C[C@@H](CBr)Cc2cc(I)ccc2Cl)cc1 2380466897 POTWIPJOPVSZSU-CQSZACIVSA-N 463.584 6.049 50 10 JKGE CCc1cc(Br)c(OC)c([C@@H](Br)c2cc(Br)n(C)n2)c1 2381258419 QYWVCIGFHZEXGU-CYBMUJFWSA-N 466.999 5.000 50 10 JKGE CCOC(=O)c1c(NC(=O)/C(C#N)=C/c2ccccc2)sc(C)c1-c1ccc([N+](=O)[O-])cc1 1974854 UTRJRUWUVAEYLF-QGOAFFKASA-N 461.499 5.354 50 10 JKGE CC[C@@H](C)c1ccccc1O[C@H](C)C(=O)NNC(=O)COc1ccc2ccccc2c1Br 9872308 OXEBFOKTAYHQRU-IAGOWNOFSA-N 499.405 5.110 50 10 JKGE N#C/C(C(=O)NCc1ccco1)=C1\S[C@@H](Cc2cc(Cl)ccc2Cl)C(=O)N1c1ccccc1 11666547 UOLHEUCAQYTLRO-WGHBEHPSSA-N 498.391 5.329 50 10 JKGE O=C(C=C(Sc1ccccc1)Sc1ccccc1)N/N=C/c1cc([N+](=O)[O-])ccc1O 20527430 AKNSSGKVWODRHD-HZHRSRAPSA-N 451.529 5.177 50 10 JKGE CCCCN(CCCC)Cc1ccc(C(=O)NNC(=S)Nc2ccc(C)cc2Cl)o1 20734792 FEEFPLOBECVGBD-UHFFFAOYSA-N 451.036 5.275 50 10 JKGE CCSc1ccsc1[C@H]1C(C#N)=C(N)N(c2cc([N+](=O)[O-])ccc2C)C2=C1C(=O)CC(C)(C)C2 27550604 DOYXPGHKLWYWAT-NRFANRHFSA-N 494.642 6.018 50 10 JKGE COc1cc(/C=N/NC(=O)CSc2cccc3ccccc23)ccc1OCc1ccccc1C#N 33652326 IDCOKJGPMBYLSC-OCSSWDANSA-N 481.577 5.541 50 10 JKGE Cc1ccc(Cl)cc1N(C(=O)CCl)[C@H](C(=O)N[C@H]1CCCC[C@@H]1C)c1ccc(Cl)cc1 33910372 YMCQMBMCKPKCSB-RSDPBLMXSA-N 481.851 6.310 50 10 JKGE CCOc1cc(/C=C2/C(=O)N(CCc3ccccc3)C(=O)C(C#N)=C2C)ccc1OCc1ccccc1 38607549 SXXDNDUDXXZMDW-NLRVBDNBSA-N 492.575 5.499 50 10 JKGE Cc1ccc2oc(C(=O)Oc3ccc4c(c3)OC(N)=C(C#N)[C@H]4c3ccc(Cl)cc3)c(C)c2c1 38687837 AOILSGBIMCICTA-DEOSSOPVSA-N 470.912 6.140 50 10 JKGE N#C/C(=C\c1ccc(-c2cc(C(F)(F)F)ccc2Cl)o1)C(=O)Nc1ccccc1C(F)(F)F 39884746 OPZJSMRPYCIYEH-FMIVXFBMSA-N 484.783 7.183 50 10 JKGE Cc1c(C(=O)Nc2ccc(C(C)C)cc2)oc2c1/C(=N/NC(=O)c1ccc([N+](=O)[O-])cc1)CCC2 40812193 XQCUSFGOOJTXIL-SGWCAAJKSA-N 474.517 5.342 50 10 JKGE Cc1c(C(=O)Nc2ccccc2Cl)oc2c1/C(=N/NC(=O)c1ccc(Cl)cc1Cl)CCC2 40813725 IZMJAUWYSONVAE-MTDXEUNCSA-N 490.774 6.271 50 10 JKGE Cc1ccc(NC(=O)c2oc3c(c2C)/C(=N/NC(=O)Cc2ccccc2)CCC3)c(Br)c1 40815878 AVHQXRKBLHLQDQ-VFCFBJKWSA-N 494.389 5.311 50 10 JKGE CCCCOc1ccc(NC(=O)c2oc3c(c2C)/C(=N/NC(=O)c2cccc(OC)c2)CCC3)cc1 40822312 GWPJQSDPEQLICL-JJKYIXSRSA-N 489.572 5.498 50 10 JKGE CCCCOc1ccc(/C=C(\C#N)C(=O)Nc2nc(-c3ccc(Cl)cc3Cl)cs2)cc1 40882534 CREIHEXFXUOFMZ-LFIBNONCSA-N 472.397 6.841 50 10 JKGE COc1ccc(/C=N/NC(=O)COc2ccc(C(C)(C)C)cc2Br)cc1Br 40950803 FOVNRNGDLXQRDV-FOKLQQMPSA-N 498.215 5.047 50 10 JKGE Cc1ccc(C)n1-c1ccc(Cl)c(C(=O)N/N=C/c2cccn2-c2ccc(Br)cc2)c1 59250108 PPVSBDUGPFXVGR-JFLMPSFJSA-N 495.808 6.065 50 10 JKGE O=C(CCc1ccccc1O)N/N=C/c1ccc(Sc2cccc3ncccc23)c([N+](=O)[O-])c1 59501643 YSNUBURQVZKKIT-JVWAILMASA-N 472.526 5.083 50 10 JKGE Fc1ccc([C@H](Br)c2cc(F)c(Br)cc2F)c(Br)c1 70474423 QMFQEHYJPFNHEQ-ZDUSSCGKSA-N 458.897 6.113 50 10 JKGE CCCCCCCCCCCCCC(=O)NNC(=O)COc1ccc(C)cc1Br 100443014 CBCZBRDMBPQUCX-UHFFFAOYSA-N 469.464 5.985 50 10 JKGE C[C@H]1CCC[C@@](CBr)(NC(=O)c2cc(Br)c(Br)s2)C1 124978338 MXIUVTPMBSPMJH-ISVAXAHUSA-N 474.056 5.347 50 10 JKGE O=C(N[C@@H]1c2ccccc2C[C@@H]1Br)c1cc(Br)ccc1Br 161221988 DGXRGXXHSNXVJI-LSDHHAIUSA-N 473.990 5.002 50 10 JKGE Clc1cc(Br)ccc1C[C@@H](CBr)Cc1ccc(Br)cc1 168950854 HXISQSQYQWEXDM-LBPRGKRZSA-N 481.453 6.661 50 10 JKGE Cc1ccc2nc(-c3ccc(N/C=C(/C#N)C(=O)N4CCCc5ccccc54)cc3)sc2c1 216683634 NEEIISWHUKRMNG-FXBPSFAMSA-N 450.567 6.071 50 10 JKGE CC(C)N(Cc1ccccc1)C(=O)/C(C#N)=C\N1CCN(C(c2ccccc2)c2ccccc2)CC1 217185039 OGWNUPIXSZIDGM-OLFWJLLRSA-N 478.640 5.238 50 10 JKGE Cc1cc(Br)c([C@H](Br)c2cccc(Cl)c2C)cc1Br 219950479 WHXDJXNQUVCPMU-OAHLLOKOSA-N 467.426 6.966 50 10 JKGE CCC[C@H](CCBr)CNC(=O)c1cc(Br)ccc1Br 227502718 JDJIXMFOPDYTFY-SNVBAGLBSA-N 456.016 5.143 50 10 JKGE COc1ccc(Cl)cc1[C@@H](Cl)c1cc(I)ccc1Br 234865348 FSEXOPCXQPHLBB-AWEZNQCLSA-N 471.947 6.044 50 10 JKGE COc1ccc([C@@H](Br)c2cc(Br)sc2Br)c(Cl)c1 234972189 CSQWFCKNXAECLD-LLVKDONJSA-N 475.427 6.419 50 10 JKGE Cc1cccc([C@@H](Br)Cc2ccc(Br)cc2)c1I 235926847 NOTGPDKQELWNGW-AWEZNQCLSA-N 479.981 6.041 50 10 JKGE Clc1ccc([C@@H](Br)c2cc(Br)ccc2I)s1 236062045 JGTDIPJMXFHSOE-NSHDSACASA-N 492.401 6.253 50 10 JKGE Cc1cc(Cl)ccc1OCCCC(=O)NN=Cc1ccc(OC(=O)c2ccccc2)cc1 245284909 UVQTZLLNIAQORW-UHFFFAOYSA-N 450.922 5.177 50 10 JKGE O=C(CCCC(=O)Nc1ccc(Cl)cc1)NN=Cc1ccc(OCc2ccccc2Cl)cc1 252622543 NXUMIDVZURWWKX-UHFFFAOYSA-N 484.383 5.832 50 10 JKGE CC(C)(C)c1ccc(OCc2ccc(C(=O)NN=Cc3cccc(C(F)(F)F)c3)cc2)cc1 254442792 MZRXQPTWKFNGPA-UHFFFAOYSA-N 454.492 6.346 50 10 JKGE O=C(NN=Cc1ccc(Sc2nc3ccccc3c(=O)n2-c2ccccc2)o1)c1ccc(F)cc1 254701444 MDJWYBSYFQHXQY-UHFFFAOYSA-N 484.512 5.033 50 10 JKGE C[C@H](Cl)c1nc2cc(I)c(F)cc2n1CC[C@H](C)N(C)Cc1ccccc1 379614091 YBOWCFKRYPHMCY-GJZGRUSLSA-N 499.799 5.990 50 10 JKGE COc1ccc([C@@H](Br)c2scc(Br)c2Br)cc1OC 705470146 YIYBAPWLEUTZFT-LLVKDONJSA-N 471.008 5.775 50 10 JKGE C[C@@H](Cl)c1nc2ccc(Cl)cc2n1CC1(N(Cc2ccccc2)Cc2ccccc2)COC1 705783950 UNVMWZPUJFHVCV-HXUWFJFHSA-N 480.439 6.461 50 10 JKGE Cc1ccc(-c2ccccc2)n1-c1ccc(C(=O)NN=Cc2cc(C)n(-c3ccccc3F)c2C)cc1 1083894880 AWODXXBLWXIWNS-UHFFFAOYSA-N 490.582 6.763 50 10 JKGE Cc1cc(C)cc(CSCC(=O)NN=Cc2cc(C)n(-c3cc(Cl)ccc3Cl)c2C)c1 1084138840 NDMOYNASYQWYOK-UHFFFAOYSA-N 474.457 6.401 50 10 JKGE C#CCn1cc(C=NNC(=O)c2ccc(-n3c(C)ccc3-c3ccccc3)cc2)c2ccccc21 1084150517 IZLNOGRLZQCFNZ-UHFFFAOYSA-N 456.549 5.805 50 10 JKGE Cc1c(Br)c(C=NNC(=O)CCSc2ccccc2)c(C)n1-c1ccccc1 1084632897 ZMIDPFLFGKDYEQ-UHFFFAOYSA-N 456.409 5.489 50 10 JKGE CC(C)(C)OC(=O)N1C[C@@H](CI)[C@H](c2cc3ccccc3nc2Cl)C1 1614692806 OZJGYSFPHRBYCK-UKRRQHHQSA-N 472.754 5.274 50 10 JKGE COc1ccc(/C(C#N)=C/c2ccc(OC(=O)c3ccc(Br)o3)c(OC)c2)cc1OC 1615066117 OVAJLHKOISKPMD-MHWRWJLKSA-N 484.302 5.351 50 10 JKGE COc1ccc(/C(C#N)=C/c2cccc(OC(=O)/C=C/c3ccc(Cl)cc3Cl)c2)cc1 1615066788 OUDHXVNVIPVOAC-ADFPNGHDSA-N 450.321 6.685 50 10 JKGE Cc1ccc(NC(=O)c2oc3c(c2C)C(=NNC(=O)c2ccc(O)cc2)CCC3)c(Br)c1 1772745389 XQOLMWLLHJTKRF-UHFFFAOYSA-N 496.361 5.087 50 10 JKGE Cc1ccc(COc2ccccc2C=NNC(=O)CSc2nc(-c3ccccc3)cs2)cc1 1772755159 QOVWHQWHRVOUMV-UHFFFAOYSA-N 473.623 5.940 50 10 JKGE CCOc1cc([C@@H]2C(C#N)=C(N)Oc3c2c(CC)nn3-c2ccc(Cl)c(Cl)c2)ccc1O 1865680945 AOQXLPNTMMKQDB-HXUWFJFHSA-N 471.344 5.064 50 10 JKGE COc1ccc(-c2nn(Cc3cccc(F)c3)c3c2[C@H](c2ccc(C)cc2)C(C#N)=C(N)O3)cc1 1865685584 KILWSSRRBIMHRS-XMMPIXPASA-N 466.516 5.273 50 10 JKGE CCCOc1ccc([C@@H]2C(C#N)=C(N)Oc3c2c(C)nn3-c2ccc(Cl)cc2)cc1OCC 1865688384 QURSOLFNLIQPER-HSZRJFAPSA-N 464.953 5.240 50 10 JKGE CCCc1nn(-c2cccc3ccccc23)c2c1[C@H](c1cc(OC)c(OC)c(OC)c1)C(C#N)=C(N)O2 1865693152 RYBDQNNCFXRGAH-RUZDIDTESA-N 496.567 5.222 50 10 JKGE COc1cc([C@@H]2C(C#N)=C(N)Oc3c2c(-c2ccccc2)nn3C)ccc1OCCCc1ccccc1 1865696301 DGBPCMGRBUSHKA-AREMUKBSSA-N 492.579 5.325 50 10 JKGE CCCc1nn(CC)c2c1[C@@H](c1c(OCc3ccccc3)ccc3ccccc13)C(C#N)=C(N)O2 1865704234 QYMSETJWIRRPPW-AREMUKBSSA-N 464.569 5.806 50 10 JKGE COc1ccc(-c2nn(-c3ccccn3)c3c2[C@H](c2ccc(C(F)(F)F)cc2)C(C#N)=C(N)O3)cc1 1865711273 URRZQKBUTNUJCX-OAQYLSRUSA-N 489.457 5.180 50 10 JKGE COc1ccc(-c2nn(Cc3ccc(C)cc3)c3c2[C@H](c2cccc(OC)c2)C(C#N)=C(N)O3)cc1 1865711518 ALNMIQIGXRJBOK-RUZDIDTESA-N 478.552 5.142 50 10 JKGE CCc1nc(Nc2ccc(SC#N)cc2)cc(N2CCC[C@H]2c2ccc(C(F)(F)F)cc2)n1 1868278259 XVLQUAOQVDBGDK-FQEVSTJZSA-N 469.536 6.716 50 10 JKGE N#C/C(=C(O)\C=C\c1ccc(Cl)c(Cl)c1)c1nc(-c2ccc(-c3ccccc3)cc2)cs1 1872743626 DQDKZHNVEUFYIU-WNJHINTHSA-N 475.400 8.290 50 10 JKGE CC(C)(C)N1C(=O)c2ccc(/C(O)=C(\C#N)c3nc(-c4ccc5c(c4)CCCC5)cs3)cc2C1=O 1872745426 MMVCXJZOVSUOCR-GYHWCHFESA-N 483.593 6.033 50 10 JKGE CCOc1ccc(/C=C(C(/O)=C(\C#N)c2nc(-c3ccc(OC)cc3)cs2)\c2ccccc2)cc1 1872746180 WOGDXJUTNHXJNF-JGPVJNICSA-N 480.589 7.251 50 10 JKGE COc1ccc(-c2csc(/C(C#N)=C(\O)c3cc(OC)c(OC)c(OC)c3)n2)cc1Cl 1872757405 DMBOGLAULWTKPU-ZHZULCJRSA-N 458.923 5.448 50 10 JKGE COc1ccc(-c2csc(/C(C#N)=C(\O)[C@H](C)Oc3ccc(Cl)cc3)n2)c(OC)c1OC 1872759341 KYVRUIPNOXGCGE-ITEXZYEPSA-N 472.950 5.749 50 10 JKGE CCOc1cc(/C=C(\C#N)c2nc(-c3ccc(F)cc3F)cs2)ccc1OCc1ccc(C)cc1 1872784293 IVCHQJOBDAOCAJ-CIAFOILYSA-N 488.559 7.439 50 10 JKGE COc1cccc(/C=C(\C#N)c2nc(-c3ccc4c(c3)OCO4)cs2)c1OCc1cccc(C)c1 1872792201 KYEPJSDQBYDARW-WSDLNYQXSA-N 482.561 6.499 50 10 JKGE CC(C)C[C@H](NC(=O)OC(C)(C)C)C(=O)N/N=C/c1ccc(OCc2cccc(Cl)c2)cc1 1873793173 AJIIBZBMPDOTKP-QYJQOTDOSA-N 474.001 5.309 50 10 JKGE Fc1cc(Cl)c(Br)c(Cl)c1[C@H](Br)[C@H]1C[C@@H]1Br 1899469098 HBNQWLQYGKPLBA-MSIVUJLLSA-N 455.774 6.114 50 10 JKGE CCc1nn(C)c(CN(Cc2ccccc2)[C@H](CBr)C(C)C)c1Br 1915267825 GRCJJJLHCHLBFN-QGZVFWFLSA-N 457.254 5.167 50 10 JKGE Cc1cc(C(=O)N(Cc2ccccc2)C2(CBr)CCC2)ccc1Br 1915756973 RAGBMBLHMPXSCN-UHFFFAOYSA-N 451.202 5.718 50 10 JKGE Clc1ccc(C[C@H](Cl)c2cc(Br)ccc2I)nc1 1918238658 GXDHUXZDMCYWTD-LBPRGKRZSA-N 456.936 5.625 50 10 JKGE Cn1ncc(Br)c1[C@@H](Br)c1sc(Br)cc1Br 1922896251 CTXYEYFAVUUOQJ-SSDOTTSWSA-N 493.844 5.253 50 10 JKGE Cc1c(Br)sc([C@@H](Br)[C@H]2C(F)(F)C23CC3)c1Br 1922932150 JECQVCZVBFVWEU-HTRCEHHLSA-N 450.968 6.063 50 10 JKGE Cl[C@H](c1ccc(I)cc1)c1sc(Br)cc1Br 1922933285 UWEJUEJNWAQFAQ-SNVBAGLBSA-N 492.401 6.206 50 10 JKGE Clc1c(Br)sc(Br)c1[C@@H](Br)[C@@H]1[C@H]2[C@H]3CC[C@@H](C3)[C@H]21 1923037797 FSXPPIFQSGKPDZ-JEYRGSDZSA-N 475.471 6.655 50 10 JKGE Clc1ccc([C@H](Br)c2c(Br)sc(Br)c2Cl)s1 1923073048 UIWKRZIIVOSSFR-LURJTMIESA-N 485.875 7.126 50 10 JKGE Clc1c(Br)sc(Br)c1[C@@H](Br)[C@@H]1[C@H]2COC[C@H]21 1923075215 YJOAEMRAHFLIRE-OHKRPGQBSA-N 451.405 5.255 50 10 JKGE C[C@@H]1CC[C@@H]([C@@H](Cl)c2c(Br)sc(Br)c2Br)O1 1924580343 QQJHFPJJAYAEGF-GLDDHUGJSA-N 453.421 5.883 50 10 JKGE CC(C)(C)OC(=O)NC[C@@H]1CCCC2(CCC2)[C@@]12CC[C@](C)(CI)O2 1924790810 LFEXCOPZXYBALN-QKYXUNIQSA-N 463.400 5.224 50 10 JKGE Clc1cc(Br)c([C@H](Br)c2cscc2Br)s1 1933596068 BKBJTPVJELCTBA-MRVPVSSYSA-N 451.430 6.472 50 10 JKGE CCc1sc(Br)cc1[C@@H](Br)c1ccc(Br)cc1C 2030220481 LNGQFONRHLYEIH-AWEZNQCLSA-N 453.037 6.628 50 10 JKGE O=S(=O)(c1cc(CCl)sc1Br)N(Cc1ccccc1)CC1CCCC1 2034659788 ZYDUJZQDZNCZBV-UHFFFAOYSA-N 462.862 5.631 50 10 JKGE Cc1c(Br)sc([C@H](Br)[C@@H]2CC[C@H]3[C@@H]2C3(F)F)c1Br 2040541407 KVXPCXVIFPYANX-JVZYCSMKSA-N 464.995 6.309 50 10 JKGE Cc1c([C@H](Cl)c2c(Br)sc(Br)c2Cl)nn(C)c1Br 2049256354 RUGXHYFBEUDKPA-RXMQYKEDSA-N 497.865 6.059 50 10 JKGE Cc1cc(CBr)cc(S(=O)(=O)N(Cc2ccccc2)CC(C)C)c1Br 2059291473 LHYLTOHHGJJXRW-UHFFFAOYSA-N 489.273 5.499 50 10 JKGE C[C@H]1Cc2cc(Br)cc([C@H](Br)c3sncc3Br)c2O1 2088931120 XKKYUEVPMDKOBQ-KGFZYKRKSA-N 468.008 5.476 50 10 JKGE FC(F)(F)c1sccc1[C@@H](Br)c1cc(Br)ccc1Br 2101427670 UBTQFIYVFQABDV-SNVBAGLBSA-N 478.953 6.776 50 10 JKGE Brc1cnc(N2C[C@H](Br)C3(CCCCC3)C2)c(Br)c1 2117743798 RDTFBVIJCCWGGY-LBPRGKRZSA-N 453.016 5.141 50 10 JKGE CO[C@@H]1C[C@H]([C@@H](Cl)c2c(Br)sc(Br)c2Br)C12CCC2 2133845961 NIXBJIKOADNRIR-BRDIYROLSA-N 493.486 6.521 50 10 JKGE COC1(C[C@@H](Br)c2c(C)c(Br)cc(C)c2Br)CCC1 2136380671 VVNPGYMOKILDIX-GFCCVEGCSA-N 455.028 6.224 50 10 JKGE Cl[C@H](c1ccc(-c2cccs2)s1)c1csc(Br)c1Br 2140969574 IJPXWPNBVVFINA-LBPRGKRZSA-N 454.661 7.391 50 10 JKGE Brc1ccc(Br)c([C@@H](Br)C2C[C@H]3COC[C@H](C2)C3)c1 2141799006 LHCQRGLUAOCVPL-YHAQOWFVSA-N 453.012 5.710 50 10 JKGE C[C@H]1C[C@@H](n2c(CCCl)nc3cc(Br)c(Cl)cc32)CN1Cc1ccccc1 2159885948 ONNZTLIPSKAUIZ-GOEBONIOSA-N 467.238 6.069 50 10 JKGE Cc1c(Cl)cc(CC[C@@H](Br)c2ccccc2Br)cc1Br 2169758142 NQSNQJJGBMUSKT-CQSZACIVSA-N 481.453 7.242 50 10 JKGE O=C(c1cc(Br)ccc1Br)N(CCBr)Cc1cccs1 2171091190 VRFFQBANDNPTCU-UHFFFAOYSA-N 482.035 5.310 50 10 JKGE Cl[C@@H](c1ccc2c(c1)OCCO2)c1ccc(Br)cc1I 2207271622 JGFONUDXWNUJTA-HNNXBMFYSA-N 465.512 5.153 50 10 JKGE Cc1cc(C(=O)N(Cc2ccccc2)[C@@H](C)CCBr)cc(C)c1Br 2214688754 WYFZVCHKSVFVAX-INIZCTEOSA-N 453.218 5.882 50 10 JKGE Clc1cc(Cl)cc(C[C@H](Br)c2sccc2I)c1 2217393841 CPZDVMOXNMJMDL-JTQLQIEISA-N 461.977 6.338 50 10 JKGE Cc1cc(Br)c([C@H](Cl)c2csc(I)c2)c(C)c1Cl 2217610943 NZLAZOBPGYMTGD-CYBMUJFWSA-N 476.004 6.714 50 10 JKGE Cc1sc([C@H](Br)Cc2ccc(Br)cc2)c(Br)c1C 2221843463 LXOFSKQIJXXQLP-GFCCVEGCSA-N 453.037 6.569 50 10 JKGE C[C@@H]1C[C@@H]([C@@H](Br)c2c(Br)cc(Cl)c(Cl)c2Cl)CCO1 2224308549 XMLGCYVPHKVNOD-PTZCXBDSSA-N 451.413 6.660 50 10 JKGE CCn1cc(Br)c([C@H](Cl)c2cc(Br)c(Br)cc2F)n1 2225632356 BMXXOXSQKHGASE-LLVKDONJSA-N 475.381 5.658 50 10 JKGE Cc1cc(Br)c([C@@H](Br)CC[C@@H]2CCCO2)c(C)c1Br 2227348654 ONQVPULQCRUJOE-RYUDHWBXSA-N 455.028 6.224 50 10 JKGE Cc1cc(Br)c([C@H](Br)[C@@H]2C[C@@H]3C[C@H]3CO2)c(C)c1Br 2227373468 ZXLPMOWGDKYTCH-PCVQNBPASA-N 453.012 5.689 50 10 JKGE Clc1cc(Br)c([C@@H](Br)[C@@H]2C[C@@H]3CC[C@H](C2)O3)c(Cl)c1Cl 2232508807 HGJGKVUKGLBXKQ-MEUQOTJWSA-N 463.424 6.803 50 10 JKGE COc1c(C)cc(Br)cc1[C@@H](Cl)c1ccc(C)c(I)c1 2232835804 YSRDSBQFDULAAH-HNNXBMFYSA-N 465.556 6.007 50 10 JKGE CCc1ccccc1[C@H](Br)c1c(Br)cc(C)c(Br)c1C 2235601207 VCADJNIRTWDJAV-KRWDZBQOSA-N 461.035 6.875 50 10 JKGE Cc1cc(Br)ccc1[C@@H](Cl)c1c(Br)cc(C)c(Br)c1C 2235604518 OEIUVRFQXDRIET-MRXNPFEDSA-N 481.453 7.228 50 10 JKGE O=C(Nc1ccc(Cl)cc1CCl)c1cc(Br)ccc1I 2239464880 VEDAKUYKBFXFPR-UHFFFAOYSA-N 484.946 5.698 50 10 JKGE Fc1ccc([C@H](Br)c2c(F)cccc2I)cc1Br 2255904599 CKWFCXUGEURRET-ZDUSSCGKSA-N 487.907 5.816 50 10 JKGE Cc1cc(Br)c([C@@H](Br)c2ccc(F)c(Br)c2)c(C)c1F 2279158579 UEFGNUWMUYACRZ-AWEZNQCLSA-N 468.961 6.591 50 10 JKGE Clc1cc(C[C@H](CBr)CCc2ccccc2)ccc1I 2286743312 VNYQKLNKZOIOIO-OAHLLOKOSA-N 463.584 6.131 50 10 JKGE CCC1CCC([C@H](Br)c2c(F)cc(Br)c(F)c2Br)CC1 2288492046 APKRCWRPXYFOQX-RPTIHFLNSA-N 475.009 7.142 50 10 JKGE COc1cc(C=C(C#N)C(=O)Nc2nc3ccccc3s2)ccc1OCCOc1ccc(C)cc1 2293332636 VLWLDGQQZBPZIX-UHFFFAOYSA-N 485.565 5.617 50 10 JKGE CCOc1cc(C=C(C#N)C(=O)NCc2ccco2)ccc1OCCOc1ccc(Cl)c(C)c1 2293625473 UHGRUVYGCUDCJR-UHFFFAOYSA-N 480.948 5.321 50 10 JKGE Cc1ccc(-c2nnc(SCC(=O)NN=CC=Cc3ccccc3)n2-c2ccccc2)cc1 2293692841 LSPKTXQJAAEYRL-UHFFFAOYSA-N 453.571 5.150 50 10 JKGE N#CC(=Cc1ccc(-c2ccc(Cl)c(Cl)c2)o1)C(=O)NCCc1c[nH]c2ccccc12 2294171859 DNSHKCVHIZAZRT-UHFFFAOYSA-N 450.325 6.001 50 10 JKGE C[C@](CI)(OCc1cc(Br)ccc1Cl)c1ccccc1 2295174473 AJHUCTINYXOCBZ-MRXNPFEDSA-N 465.556 5.970 50 10 JKGE CCCOc1ccc(-c2nn(-c3ccccc3)cc2C=C(C#N)c2nc3ccccc3n2C)cc1C 2296729478 PIBIHVPJFXQZKY-UHFFFAOYSA-N 473.580 6.587 50 10 JKGE CCOC(=O)c1c(NC=C(C#N)c2nc(-c3cccc(OC)c3)cs2)sc(C(=O)OC)c1C 2296790112 PGORMOCBRVBKRT-UHFFFAOYSA-N 483.571 5.129 50 10 JKGE CCOC(=O)c1c(-c2ccc(Cl)cc2)csc1NC(=O)C(C#N)=Cc1ccccc1OC 2296819140 ZSTDSLWNHHCWMA-UHFFFAOYSA-N 466.946 5.799 50 10 JKGE N#CC(=Cc1ccc(I)o1)c1nc(-c2cc3ccccc3oc2=O)cs1 2297451238 YPVGRYJPWQKVQM-UHFFFAOYSA-N 472.263 5.178 50 10 JKGE Cc1scc([C@H](Br)c2ccc(OCc3ccccc3)cc2Br)c1C 2299504653 PAEWQFBSYILKIO-HXUWFJFHSA-N 466.238 7.191 50 10 JKGE Brc1cc(OCc2ccccc2)ccc1[C@H](Br)[C@H]1C[C@@]12CCOC2 2299506559 BHQHWKMEFVVQPJ-YZGWKJHDSA-N 452.186 5.891 50 10 JKGE CC(C)NC(=O)C(C#N)=Cc1cc(Br)ccc1OCc1ccc(Cl)c(Cl)c1 2313724517 DSOZTMOUPGDUOR-UHFFFAOYSA-N 468.178 5.766 50 10 JKGE CC1(C)[C@H]2CO[C@]1([C@H](Br)c1cc(Br)ccc1OCc1ccccc1)C2 2314443966 LURUDZAXMWGMSL-VMRPVKRXSA-N 466.213 6.279 50 10 JKGE CCCCCCN1C(=O)C(=Cc2ccc(OCc3ccc(C)cc3)c(OC)c2)C(C)=C(C#N)C1=O 2314610021 CCTHRMIURIRVIZ-UHFFFAOYSA-N 472.585 5.755 50 10 JKGE COCc1ccc([C@@H](Br)c2ccc(Cl)c(I)c2)s1 2315094016 YAYUPWIUHBJQCZ-ZDUSSCGKSA-N 457.558 5.637 50 10 JKGE CCc1cc([C@H](Cl)c2c(Br)c(Br)nn2C)sc1Br 2316709137 IPCILNXXYPEOBR-QMMMGPOBSA-N 477.447 5.660 50 10 JKGE Cc1cc(Br)c(F)c(Br)c1[C@@H](Br)C(F)(F)C1CC1 2317398498 CXLMXFGWLZMCRB-LLVKDONJSA-N 450.918 6.140 50 10 JKGE COc1ccc(C(C#N)=Cc2ccc(OC(=O)COc3ccccc3Cl)c(OC)c2)cc1OC 2320506581 MPQFTPBCATUKFQ-UHFFFAOYSA-N 479.916 5.414 50 10 JKGE N#CC(=Cc1cccc(OC(=O)c2ccc(S(=O)(=O)N3CCCCC3)cc2)c1)c1ccccc1 2320507008 WSXDDPWATWOBOS-UHFFFAOYSA-N 472.566 5.145 50 10 JKGE C[C@@H](c1ccncc1F)[C@H](Br)c1csc(Br)c1Br 2321457258 AJILSKFDUOXODB-WKEGUHRASA-N 457.988 6.047 50 10 JKGE CCn1cc(C=C2Oc3cc(OC(=O)C(Cl)Cl)cc(C)c3C2=O)c2cc(OC)ccc21 2323763049 HGBUSDLGHBXRDK-UHFFFAOYSA-N 460.313 5.304 50 10 JKGE CC1(C)C[C@@H](Br)C[C@@H](Cc2ccc(I)c(Br)c2)C1 2325171849 AJHYXSQTNQEREX-NEPJUHHUSA-N 486.029 6.186 50 10 JKGE N#CC(=CNc1ccccc1N1CCOCC1)C(=O)Nc1ccccc1Sc1ccccc1 2325339267 JVMUAJJERPDJEU-UHFFFAOYSA-N 456.571 5.132 50 10 JKGE COC(=O)c1c(NC(=O)C(C#N)=Cc2cccc(Cl)c2)sc2c1CC[C@H](C(C)(C)C)C2 2329687232 PZTQSNOOZGDAAJ-INIZCTEOSA-N 456.995 5.885 50 10 JKGE CCCCc1ccc(-c2csc(C(C#N)=C(O)[C@H]3CC(=O)N(c4c(C)cccc4CC)C3)n2)cc1 2331256049 QSVXNNOMJQWZTR-QHCPKHFHSA-N 485.653 6.869 50 10 JKGE N#CC(=C(O)Cc1ccc(Br)cc1)c1nc(-c2cccc(Br)c2)cs1 2331276545 MTXURVYCSZQUDG-UHFFFAOYSA-N 476.193 6.370 50 10 JKGE CCCOc1ccc(-c2csc(C(C#N)=C(O)c3ccccc3OC)n2)cc1OCCC 2331293585 BBMKCJOJEDXSJV-UHFFFAOYSA-N 450.560 6.346 50 10 JKGE CCCOc1ccc(-c2csc(C(C#N)=C(O)c3cccc(Oc4ccccc4)c3)n2)cc1 2331318318 XYYHWLJMZVGKDN-UHFFFAOYSA-N 454.551 7.341 50 10 JKGE COc1ccc(-c2csc(C(C#N)=C(O)C(=Cc3ccccc3)c3ccccc3)n2)c(C)c1C 2331362155 CPRLKLSRZJGTKD-UHFFFAOYSA-N 464.590 7.469 50 10 JKGE COc1ccc(-c2csc(C(C#N)=C(O)[C@@H]3CC(=O)N([C@H](C)c4ccccc4)C3)n2)c(OC)c1 2331385483 HQBYIROUSBKQDD-SJLPKXTDSA-N 475.570 5.230 50 10 JKGE CCCCCCCOc1ccc(-c2csc(C(C#N)=Cc3ccc(C(=O)OC)cc3)n2)cc1 2331460667 SAUBSHMMCQZXFJ-UHFFFAOYSA-N 460.599 7.010 50 10 JKGE CCOc1ccc(OCC)c(-c2csc(C(C#N)=Cc3cccc(Br)c3)n2)c1 2331470113 ITCDZSLXSZVDRA-UHFFFAOYSA-N 455.377 6.434 50 10 JKGE Clc1cccc(Cl)c1C[C@@H](Cl)c1cc(Br)ccc1OCc1ccccc1 2336056439 ISQSSWCDYWRJDZ-HXUWFJFHSA-N 470.621 7.858 50 10 JKGE Cc1cc(Br)c(F)c(Br)c1[C@@H](Br)CCOCC(F)F 2339645057 DWCPBCDLXRRNKQ-ZETCQYMHSA-N 468.933 5.767 50 10 JKGE Clc1ccc(C[C@H]2CCCCCCC[C@H]2Br)c(I)c1 2341050036 LUINWLBMJILEEZ-IUODEOHRSA-N 455.605 6.611 50 10 JKGE BrCc1cc(Br)c(OC[C@@H]2CC[C@H]3C[C@@H]2CO3)c(Br)c1 2359099219 VASUSRLZVAUTHV-TUAOUCFPSA-N 469.011 5.300 50 10 JKGE Cc1ccc([C@@H](Br)c2c(F)cc(Cl)c(Br)c2Cl)c(Cl)c1 2360421357 CNRXZNVIHUPOKD-GFCCVEGCSA-N 461.383 7.341 50 10 JKGE CCCC(CBr)(CCC)COc1cc(Cl)c(C)cc1I 2361692149 BUTPUINMHVVCMB-UHFFFAOYSA-N 473.620 6.613 50 10 JKGE Cc1ccc(C[C@@H](Br)c2c(Cl)cc(Br)c(F)c2Br)cc1 2362228621 FDYLXGDOLCDICF-SNVBAGLBSA-N 485.416 6.991 50 10 JKGE C[C@]1(C(F)(F)F)C[C@H]1[C@H](Cl)c1c(Cl)cc(Br)c(F)c1Br 2362232198 KVWFOENMRNXQGD-GLSXQJQTSA-N 458.902 6.873 50 10 JKGE Fc1c(Br)cc(Cl)c([C@H](Br)C2(CC(F)F)CCC2)c1Br 2362253755 JQTLFONZCCSUTH-LBPRGKRZSA-N 499.390 7.266 50 10 JKGE COc1ccccc1[C@H](Br)c1c(C)cc(Br)c(F)c1Br 2365178106 HJBOLQCDDJJIHE-ZDUSSCGKSA-N 466.970 6.152 50 10 JKGE Cc1cc(Br)c(F)c(Br)c1[C@H](Br)Cc1cccc(F)c1 2365181167 VAVIJOKYAAETJS-LLVKDONJSA-N 468.961 6.477 50 10 JKGE COc1cc(Cl)c(CBr)c(N2CCN(Cc3ccccc3)CCC2(C)C)c1 2365820413 ZPIVNMUIWSOOPT-UHFFFAOYSA-N 451.836 5.734 50 10 JKGE COc1cc([C@@H](Br)c2c(Br)cc(F)c(F)c2F)sc1Cl 2365831820 WQCVGBZNRZLWSE-SECBINFHSA-N 450.501 6.074 50 10 JKGE CN(Cc1cc(I)ccc1Cl)[C@H](CBr)c1ccccc1 2380515815 UTUUTLDKIOBRNI-MRXNPFEDSA-N 464.572 5.513 50 10 JKGE C[C@H](Oc1ccc2ccccc2c1)C(=O)NNC(=O)COc1ccc(C(C)(C)C)cc1C(C)(C)C 14661797 HSIYRPHVYMBRJY-IBGZPJMESA-N 476.617 5.429 50 10 JKGE COc1ccc(/C(C)=N/NC(=O)c2ccccc2OCc2ccc(Br)cc2)cc1 27528208 XHNAQIAIZUNXEN-PCLIKHOPSA-N 453.336 5.191 50 10 JKGE COc1cc(/C=C(/C#N)c2ccccc2OC)ccc1OC(=O)COc1ccc(Cl)cc1Cl 31901959 BBXTVFVAAGTGDH-BOPFTXTBSA-N 484.335 6.059 50 10 JKGE CCOc1ccc(OCC(=O)Oc2cccc(/C=C(/C#N)c3ccc(OC)c(OC)c3)c2)cc1 31902940 WWTIPLJSVPHSQX-STZFKDTASA-N 459.498 5.151 50 10 JKGE N#C/C(=C/c1ccc(OCc2c(F)cccc2Cl)cc1)c1nn(-c2ccccc2)c(N)c1C#N 33400590 FJXGJVFCXXAMGY-AQTBWJFISA-N 469.907 5.762 50 10 JKGE CCOc1ccc(/N=C(O)/C(C#N)=C2\S[C@@H](Cc3ccccc3)C(=O)N2c2ccccc2)cc1 33784216 OZBRAQAPNFLXBG-FYAMCCBRSA-N 469.566 5.800 50 10 JKGE COc1cc(/C=C(/C#N)C(=O)Nc2sc3c(c2C#N)CCCC3)ccc1OCc1ccc(F)cc1 34856189 HAQCAKFNLPTSNL-UNOMPAQXSA-N 487.556 5.771 50 10 JKGE CCOc1ccc(C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@H]3c2ccc(C(C)C)cc2)cc1 38649477 HBNMNKNUCMHDJA-SANMLTNESA-N 454.526 5.646 50 10 JKGE CCCOc1ccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)COc4ccc(C)c(C)c4)ccc32)cc1 38650694 LFKLSCACHDJCDH-NDEPHWFRSA-N 484.552 5.295 50 10 JKGE N#CC1=C(N)Oc2cc(OC(=O)c3cccc4ccccc34)ccc2[C@@H]1c1cccc(Cl)c1 38651218 CPASNQZHQHAQKL-VWLOTQADSA-N 452.897 5.931 50 10 JKGE COc1ccccc1[C@@H]1C(C#N)=C(N)Oc2cc(OC(=O)c3sc4ccccc4c3Cl)ccc21 40530301 XDZBYNPKOZFXGP-QFIPXVFZSA-N 488.952 6.001 50 10 JKGE COc1ccccc1[C@H]1C(C#N)=C(N)Oc2cc(OC(=O)c3oc4cc(C)ccc4c3C)ccc21 40530324 DGQRKJUMFFDRTP-RUZDIDTESA-N 466.493 5.496 50 10 JKGE O=C(NNc1ncnc(Nc2ccc(/N=N/c3ccccc3)cc2)c1[N+](=O)[O-])c1ccc([N+](=O)[O-])cc1 40645899 ITFPKFVHJPAABP-BYYHNAKLSA-N 499.447 5.209 50 10 JKGE Cc1ccc(NC(=O)c2oc3c(c2C)/C(=N/NC(=O)c2ccccc2Br)CCC3)c(C)c1 40812832 VSIXMILOBREYJQ-VFCFBJKWSA-N 494.389 5.690 50 10 JKGE Brc1ccc([C@H](Br)c2ccc(I)cc2)cc1 71094520 KFBAHWBCEMRMTF-ZDUSSCGKSA-N 451.927 5.538 50 10 JKGE CC1=C(C#N)C(=O)N([C@@H](C)c2ccccc2)C(=O)/C1=C/c1ccc(-c2cccc([N+](=O)[O-])c2)o1 101337798 QLKPJJPFUXBAIS-NIZGNDASSA-N 453.454 5.208 50 10 JKGE COc1ccc(CN2C(=O)C(C#N)=C(C)/C(=C\c3ccc(-c4cccc(Cl)c4Cl)o3)C2=O)cc1 101340006 KFHYHSWCORZYBH-UDWIEESQSA-N 493.346 6.054 50 10 JKGE Clc1ccc(Br)cc1[C@@H](Br)Cc1ccc(Br)cc1 110296976 JUMTXYOSMVCLAX-ZDUSSCGKSA-N 453.399 6.544 50 10 JKGE Fc1ccc(CC(CBr)(CBr)c2ccc(Cl)cc2)c(Cl)c1 118876883 WSFFAKLXMQPIOX-UHFFFAOYSA-N 454.992 6.403 50 10 JKGE Cc1ccc([C@@H](Cl)c2cc(Br)c(Br)s2)cc1Br 130494213 KAAKJPTZIIFDNG-LLVKDONJSA-N 459.428 6.672 50 10 JKGE CCCCCCCCCOc1ccc(/C=N\NC(=O)Nc2ccc(Cl)cc2)c(Cl)c1 169939901 QQDYSUDNUKZDRX-ONUIUJJFSA-N 450.410 7.278 50 10 JKGE C[Si](C)(C)OP(=O)(O[Si](C)(C)C)OP(=O)(O[Si](C)(C)C)O[Si](C)(C)C 195811402 JDZAIGYGOBAGGF-UHFFFAOYSA-N 466.705 6.625 50 10 JKGE O=[N+]([O-])c1cc(CBr)ccc1Oc1ccc(Br)cc1Br 218321973 VZLUMUXZNNYRES-UHFFFAOYSA-N 465.923 5.807 50 10 JKGE Cc1cc([C@H](Br)c2ccc(I)c(Cl)c2)cc(C)c1F 232344331 IGKJVURCGKWPGS-CQSZACIVSA-N 453.520 6.185 50 10 JKGE COc1ccc(Br)cc1[C@@H](Br)c1cc(Cl)cc(Br)c1 234841992 LYVSAYQMDJLXIY-AWEZNQCLSA-N 469.398 6.358 50 10 JKGE Cc1cc(Br)c([C@@H](Cl)c2cc(Cl)ccc2Br)cc1Br 235814125 UDTRZXOFHXJXBA-AWEZNQCLSA-N 487.844 7.264 50 10 JKGE Cc1csc([C@@H](Br)c2cc(Br)c(Br)s2)c1Cl 235934405 MHLIZCCFKABXFF-ZETCQYMHSA-N 465.457 6.781 50 10 JKGE Clc1cc2c(c([C@H](Br)c3cc(Br)sc3Br)c1)OCC2 236084268 YFSOKUDQESNNGX-NSHDSACASA-N 487.438 6.346 50 10 JKGE CCCOc1ccc(Br)cc1C=NNC(=O)COc1ccc(Cl)cc1Cl 252604670 GCPOZGNUCDGRGC-UHFFFAOYSA-N 460.155 5.074 50 10 JKGE CCOc1cc(C=NNC(=O)c2c(-c3ccccc3)noc2C)ccc1OC(=O)c1ccc(F)cc1 252605627 GKWOEEVBJOEOST-UHFFFAOYSA-N 487.487 5.171 50 10 JKGE COc1cc(C=NNC(=O)c2ccccc2-n2cccc2)ccc1OCc1ccc(Cl)cc1 252620834 MMZODXIKZZDYOH-UHFFFAOYSA-N 459.933 5.482 50 10 JKGE CCCCOc1ccc(C(=O)NN=Cc2ccc(OC(=O)/C=C/c3ccccc3)c(OC)c2)cc1 254346198 CZZPCQBVQRELBG-DVBDYFHBSA-N 472.541 5.257 50 10 JKGE CCCCCCCCOc1ccc(-c2cc(C(=O)NN=Cc3cccc(OC)c3O)[nH]n2)cc1 254799987 NYZGUALYLUNNLL-UHFFFAOYSA-N 464.566 5.294 50 10 JKGE CCCCCCCCCCCCCC(=O)NN=Cc1ccc(OC(=O)c2ccccc2F)cc1 254842354 FUKCLHQHOPNKKT-UHFFFAOYSA-N 468.613 7.196 50 10 JKGE CCCCCCOc1ccc(C=NNC(=O)CSc2nnc(-c3ccccc3)s2)cc1 256028449 MUJFHFAPDVIQJN-UHFFFAOYSA-N 454.621 5.407 50 10 JKGE FC(F)(F)c1csc([C@H](Br)c2sccc2Br)c1Br 310691252 RPHCSMBNAAEMRI-SSDOTTSWSA-N 484.982 6.838 50 10 JKGE Br[C@H](c1ccc(-c2ccccc2)cc1)c1sccc1I 312448513 USRGYAUSSUNXKY-MRXNPFEDSA-N 455.158 6.504 50 10 JKGE COc1cc(Br)c([C@@H](Br)c2ccccc2OCc2ccccc2)cc1OC 380546837 OICPTWGKSPFINS-QFIPXVFZSA-N 492.207 6.530 50 10 JKGE C[C@H](Cl)c1nc2cc(I)ccc2n1[C@H]1C[C@@H](C)N(Cc2ccccc2)C1 397973674 BVVQTGGCQSQZMF-VKJFTORMSA-N 479.793 5.776 50 10 JKGE Brc1csnc1[C@H](Br)c1cc(Br)c(Br)s1 404707230 KBVUKSJTEJOGDS-ZCFIWIBFSA-N 496.869 5.976 50 10 JKGE CO[C@@H]1CCC[C@H](C(CBr)(CBr)c2cccc(Br)c2)C1 686321683 PHQISGMMSJPAIP-DZGCQCFKSA-N 469.055 5.682 50 10 JKGE Fc1ccc([C@H](Br)c2ccc(F)c(Cl)c2F)c(I)c1 689647924 ATTGYSOGODROEV-NSHDSACASA-N 461.446 5.846 50 10 JKGE Fc1cc(Br)c([C@@H](Br)c2ccsc2Br)c(F)c1F 705128652 DVQLWQQTVUHRHL-QMMMGPOBSA-N 464.926 6.175 50 10 JKGE Cc1ccc([C@@H](Br)c2c(F)cc(Br)cc2F)c(C)c1Br 719543377 DDIJUDSHPPKEQP-OAHLLOKOSA-N 468.961 6.591 50 10 JKGE Clc1ccc([C@@H](Br)c2ccc(I)c(Br)c2)cc1 721587377 LQHBQZPMQACLGQ-CYBMUJFWSA-N 486.372 6.191 50 10 JKGE O=C(c1cc(Br)c(Br)s1)N1CC[C@H]2CC[C@@H](Br)[C@H]1C2 721590480 VUHJISXXFCZQGO-NQMVMOMDSA-N 472.040 5.051 50 10 JKGE Cc1cc(C=NNC(=O)[C@H](C)Sc2ccc(Cl)cc2)c(C)n1-c1cc(Cl)cc(Cl)c1 1084055607 DRLWFNOFXODJAO-HNNXBMFYSA-N 480.848 6.685 50 10 JKGE Cc1cccc(-n2c(C)c(Br)c(C=NNC(=O)[C@H](C)Sc3ccccc3)c2C)c1 1084222431 RWBBTLIMUKFWSD-SFHVURJKSA-N 470.436 5.796 50 10 JKGE C=CCc1cc(/C=C(\C#N)C(=O)Nc2ccc(C)cc2)cc(OC)c1OCc1ccccc1Cl 1084280052 AIDCFOORELHIJH-HZHRSRAPSA-N 472.972 6.510 50 10 JKGE CC(=NNC(=O)COc1ccc(Br)cc1Br)c1ccc2ccccc2c1 1084299578 VATUGNIFMHRAJK-UHFFFAOYSA-N 476.168 5.284 50 10 JKGE COC(=O)c1ccc(NC(=O)c2oc3c(c2C)C(=NNC(=O)c2cccc4ccccc24)CCC3)cc1 1772747144 FITUBYYUCDSMRI-UHFFFAOYSA-N 495.535 5.251 50 10 JKGE Cc1cccc(NC(=O)c2oc3c(c2C)C(=NNC(=O)C(F)(F)C(F)(F)C(F)(F)F)CCC3)c1 1772748247 VJALWXCDDBMCSL-UHFFFAOYSA-N 493.379 5.138 50 10 JKGE COc1cc(C=NNC(=O)[C@H](C)Oc2cc(C)c(Cl)c(C)c2)ccc1OCc1ccc(C)cc1 1772755866 HLBXEFSSEMQVEW-FQEVSTJZSA-N 480.992 5.770 50 10 JKGE Cc1ccc(O)c([C@@H]2C(C#N)=C(N)Oc3c2c(-c2ccccc2)nn3-c2ccccc2Cl)c1 1865687572 VEDUOGQVWQGJON-JOCHJYFZSA-N 454.917 5.425 50 10 JKGE N#CC1=C(N)Oc2c(c(-c3ccccc3)nn2Cc2ccc(F)cc2)[C@@H]1c1cc(Cl)ccc1O 1865689080 JJDNAMFCAPPQKP-JOCHJYFZSA-N 472.907 5.315 50 10 JKGE CCCCCOc1ccc([C@H]2C(C#N)=C(N)Oc3c2c(C)nn3-c2cccc(Cl)c2)cc1OC 1865696012 WHFCYLSMVJXMRB-DEOSSOPVSA-N 478.980 5.630 50 10 JKGE Cc1ccc(C)c(Cn2nc(-c3ccccc3)c3c2OC(N)=C(C#N)[C@H]3c2ccc3c(c2)OCCO3)c1 1865698166 MEEZCULRDAJCAE-AREMUKBSSA-N 490.563 5.205 50 10 JKGE Cc1cccc([C@H]2C(C#N)=C(N)Oc3c2c(-c2ccccc2)nn3Cc2ccccc2Cl)c1 1865710871 KHSOGQWUASPYHV-QHCPKHFHSA-N 452.945 5.778 50 10 JKGE O=C(Oc1ccc([N+](=O)[O-])c(F)c1)c1ccc(-c2ccc(Cl)c(Cl)c2)nc1C(F)(F)F 1865787366 CBFHWTKZOFBBAM-UHFFFAOYSA-N 475.181 6.341 50 10 JKGE CCc1ccc(/C(C)=C/C(=O)N[C@@H](C(=O)Nc2ccc(SC#N)cc2)c2ccccc2)cc1 1866683508 GCBYGYKVGJEKOD-WFBCFIKKSA-N 455.583 5.722 50 10 JKGE CC(C)c1nc(Nc2ccc(SC#N)cc2)cc(N2CCC[C@H]2c2ccc(C(C)(C)C)cc2)n1 1868231940 XKILVAAOQZNNJE-DEOSSOPVSA-N 471.674 7.556 50 10 JKGE COc1ccc(/C=C2\Oc3cc(OCc4cccc(CCl)c4)cc(C)c3C2=O)c(OC)c1OC 1871437471 ZNDXEVRXVMZZHD-FMCGGJTJSA-N 480.944 5.955 50 10 JKGE COc1ccc(-c2csc(/C(C#N)=C(\O)CCCOc3ccccc3Cl)n2)cc1OC 1872745423 MHHSWTBAAVPDCH-MNDPQUGUSA-N 456.951 6.133 50 10 JKGE N#C/C(=C(/O)c1ccc(N2CCOCC2)c([N+](=O)[O-])c1)c1nc(-c2ccc3c(c2)CCCC3)cs1 1872745614 VVAXXLQHUMAYSD-DAFNUICNSA-N 488.569 5.384 50 10 JKGE C[C@@H](c1ccccc1)N1C[C@H](/C(O)=C(\C#N)c2nc(-c3ccc(Cl)c(Cl)c3)cs2)CC1=O 1872749018 XOTPCOYOBYHVKU-LLCFEACKSA-N 484.408 6.519 50 10 JKGE CCOc1ccc(-c2csc(/C(C#N)=C(\O)c3ccc(Cl)c(Cl)c3)n2)c(OCC)c1 1872755546 SIIPJTWTSSQAMI-PGMHBOJBSA-N 461.370 6.864 50 10 JKGE CCOc1ccc(-c2csc(/C(C#N)=C/c3cc(Br)ccc3F)n2)c(OCC)c1 1872794384 YNQPIEYUXRIRLK-OQLLNIDSSA-N 473.367 6.573 50 10 JKGE CCCOc1ccc(-c2csc(/C(C#N)=C(\O)c3ccc(N(C)C)cc3)n2)cc1OCCC 1872817977 GOKPBYZALOSHHR-DAFNUICNSA-N 463.603 6.404 50 10 JKGE CSCC[C@H](/C(O)=C(\C#N)c1nc(-c2ccc(F)cc2F)cs1)N1C(=O)c2ccccc2C1=O 1872818235 SVEINKWRMMBUOB-HTNUNKGTSA-N 497.548 5.299 50 10 JKGE CCCOc1ccc(-c2csc(/C(C#N)=C(\O)[C@@H]3CC(=O)N(C(C)C)C3)n2)cc1OCCC 1872818271 UQMQTAOTXMZVIU-LTXLMFNASA-N 469.607 5.437 50 10 JKGE CCCC1CCC([C@H](Br)c2c(Br)sc(Br)c2Cl)CC1 1878039608 RDXONILLXWKIEW-AMUVOQDHSA-N 493.530 7.969 50 10 JKGE FC1(F)C[C@@H]1CCCOc1c(Br)cc(CBr)cc1Br 1885568864 XPSCZEQRERBXIJ-VIFPVBQESA-N 462.954 5.921 50 10 JKGE Fc1c(Br)cc(Cl)c([C@H](Br)[C@@H]2C[C@@H]2Cl)c1Br 1900374178 ZHNJZITYFSTUFQ-UWBRJAPDSA-N 455.774 6.067 50 10 JKGE Fc1cc(Br)c2nc(CCCl)n(C[C@@H]3CCCN3Cc3ccccc3)c2c1 1912692798 MRPALMCTKZOYEX-KRWDZBQOSA-N 450.783 5.384 50 10 JKGE Cc1cccc(C(=O)N(Cc2ccccc2)[C@H](CCl)C(C)C)c1I 1915287694 BGUXNZDBTOLEKO-GOSISDBHSA-N 455.767 5.505 50 10 JKGE O=C(c1ccc(I)cc1)N(Cc1ccccc1)C1(CBr)CCC1 1915740548 HLLRZLNAGUWMNV-UHFFFAOYSA-N 484.175 5.251 50 10 JKGE CC(C)(CBr)N(Cc1ccccc1)C(=O)c1ccc(F)cc1I 1915754111 RDCCSCTZCZARFO-UHFFFAOYSA-N 490.154 5.246 50 10 JKGE Cc1cc(Br)c(C(=O)N(Cc2ccccc2)C(C)(C)CBr)cc1Cl 1915756952 QSJLJUAYDQNEHR-UHFFFAOYSA-N 473.636 6.227 50 10 JKGE FC(F)CC1([C@H](Br)c2sc(Br)cc2Br)CCC1 1922907424 UFCQLMYJXCJOJV-SNVBAGLBSA-N 452.984 6.535 50 10 JKGE CC[C@H](CC(C)C)[C@H](Br)c1c(Br)sc(Br)c1Cl 1923047824 DSXFYXZQIWIFNM-APPZFPTMSA-N 467.492 7.435 50 10 JKGE COc1ccc(CC[C@@H](Cl)c2c(Br)sc(Br)c2Cl)cc1 1923050124 QNIKGTVAGXGDJZ-SNVBAGLBSA-N 459.030 6.848 50 10 JKGE C[C@@H]1CO[C@@H]([C@H](Br)c2c(Br)sc(Br)c2Cl)C1 1923066536 QWNSGLBPMYEOGE-BFHQHQDPSA-N 453.421 5.788 50 10 JKGE Clc1ccsc1[C@@H](Br)c1c(Br)sc(Br)c1Cl 1923071883 LPSDJKCNWCLFJJ-YFKPBYRVSA-N 485.875 7.126 50 10 JKGE CC(C)(C[C@H](Br)c1c(Br)sc(Br)c1Cl)C(F)(F)F 1923072883 SMUPDPMYPXYOQA-BYPYZUCNSA-N 493.408 7.341 50 10 JKGE Cc1cc([C@H](Cl)c2c(Br)sc(Br)c2Br)c(C)o1 1924584199 UZGMALFKTWCWMA-VIFPVBQESA-N 463.416 6.574 50 10 JKGE Cl[C@@H](c1c(Br)sc(Br)c1Br)[C@@H]1[C@H]2[C@H]3CC[C@@H](C3)[C@H]21 1924585433 LOZZVMWDLDIFRK-PYQJRNRHSA-N 475.471 6.608 50 10 JKGE Fc1ccc(C[C@H](Cl)c2c(Br)sc(Br)c2Br)cc1 1924585870 RHTSWZOJVGWZFD-QMMMGPOBSA-N 477.418 6.697 50 10 JKGE CC[C@@H]1C[C@@H]1[C@H](Br)c1c(Br)sc(Br)c1Br 1924605159 NHDRXWPFGLFPAP-ZDLURKLDSA-N 481.873 6.518 50 10 JKGE CCC(F)(F)[C@@H](Br)c1c(Br)sc(Br)c1Br 1924609242 USDDGXIZDOLDFE-YFKPBYRVSA-N 491.815 6.517 50 10 JKGE O=C(CCCCCl)Nc1cc(Br)c(I)c(Br)c1 1946434105 GCOVDKQNTODAMH-UHFFFAOYSA-N 495.380 5.164 50 10 JKGE COC1([C@H](Br)c2c(Br)sc(Br)c2Cl)CCC1 1979935354 RUJIISULOKYCED-SSDOTTSWSA-N 453.421 5.932 50 10 JKGE Cc1c(Cl)cc(CN(C)C[C@H](Br)COCc2ccccc2)cc1Br 2002243331 ZABZOFGUIVZJJO-KRWDZBQOSA-N 475.652 5.823 50 10 JKGE Brc1csc([C@@H](Br)c2cc(I)cc3c2OCC3)c1 2052439274 ZCXYTFUTQTVAHH-LBPRGKRZSA-N 499.993 5.534 50 10 JKGE CC(C)(C)OC(=O)NCCSSCCN[C@@H]1CCCc2sc(Br)cc21 2061265070 XJIAQOABQKTNOK-CYBMUJFWSA-N 467.520 5.384 50 10 JKGE CC(C)CC(CBr)(CBr)Cc1ncc(Br)cc1Cl 2063697043 OYOPYZURQYFGHC-UHFFFAOYSA-N 462.451 5.862 50 10 JKGE Cl[C@@H](c1c(Br)sc(Br)c1Br)C1CC2(C1)CC21CC1 2064002570 NXMVAAXUIDGUSG-RIUAISMDSA-N 475.471 6.896 50 10 JKGE Cc1nc(C[C@@H](Br)c2c(Br)cccc2Br)sc1C 2085802304 JCLNGMWUQWJUEF-LLVKDONJSA-N 454.025 5.964 50 10 JKGE CC(C)(C)c1ccc([C@@H](Br)c2c(Br)cccc2Br)s1 2094091630 WCDZUYKVRYJAHD-CQSZACIVSA-N 467.064 7.055 50 10 JKGE O=S(=O)(c1ccc(CCl)c(Br)c1)N(Cc1ccccc1)C1CCCCC1 2095889856 FWQWFLXXPHAEQU-UHFFFAOYSA-N 456.833 5.712 50 10 JKGE Clc1ccccc1[C@H](CBr)Cc1cc(Br)ccc1Br 2118523911 CXBCVTNFDCUVRV-NSHDSACASA-N 467.426 6.586 50 10 JKGE C[C@@H](C1CC1)N(Cc1ccccc1)S(=O)(=O)c1cc(CBr)c(Cl)cc1Cl 2123250266 BBKXKESKRXNGNQ-ZDUSSCGKSA-N 477.251 5.878 50 10 JKGE Brc1ccc(Br)c([C@H](Br)[C@H]2C[C@H]2C2CCCCC2)c1 2135274653 XHGULHLFXWCESL-HEHGZKQESA-N 451.040 6.864 50 10 JKGE Cc1cc(Br)c(C)c([C@H](Br)[C@@H]2CCC[C@@H]3C[C@H]32)c1Br 2136365797 BEDLUSKKYBAFCB-DSZLRUIBSA-N 451.040 6.701 50 10 JKGE COc1cc(Br)c(C)cc1[C@H](Cl)c1cccc(F)c1I 2145953900 IYWTUKGSDAGZEZ-CQSZACIVSA-N 469.519 5.838 50 10 JKGE BrCc1cc(Br)c(OC[C@@]23CCC[C@@H](CO2)C3)c(Br)c1 2146245158 SLKNOROFQXDQNP-BMIGLBTASA-N 469.011 5.445 50 10 JKGE FC(F)(F)c1cc(Br)cc(Oc2nc(Cl)c(CBr)s2)c1 2155312320 AEYFJMDIJHDVIL-UHFFFAOYSA-N 451.489 6.265 50 10 JKGE CC1(C)CCC[C@](CBr)(Cc2ccc(Br)cc2Br)CC1 2157076359 RMDVSKGNDNICKR-QGZVFWFLSA-N 467.083 7.126 50 10 JKGE O=[N+]([O-])c1sc(CBr)cc1N1CC[C@@]2(CCCN(Cc3ccccc3)C2)C1 2163317848 MMTRHVFFXIGMLM-HXUWFJFHSA-N 450.402 5.044 50 10 JKGE CC1(C)C[C@@H](n2c(CCl)nc3cc(Cl)c(Br)cc32)CN1Cc1ccccc1 2169015099 IDBPWDFYNQPBQP-OAHLLOKOSA-N 467.238 6.417 50 10 JKGE Cc1ccc(C)c(C[C@@H](Br)c2ccc(Br)c(C)c2Br)c1 2203683655 FFBNTHIIYJNXLA-MRXNPFEDSA-N 461.035 6.816 50 10 JKGE Cc1sc(C(=O)N(Cc2ccccc2)[C@@H](CBr)C2CC2)cc1Br 2210614760 UFUTTWDNTGAGAS-INIZCTEOSA-N 457.231 5.635 50 10 JKGE CC1(C)C[C@@]1(Cl)[C@H](Br)c1c(Br)cc(Cl)c(Cl)c1Cl 2222049086 YVXFRQAWLQDOOL-ZYHUDNBSSA-N 455.832 7.253 50 10 JKGE Cl[C@@H](c1ccc2c(c1Br)CCO2)c1sccc1I 2222171844 GJCAHMSNQTUGJW-LBPRGKRZSA-N 455.542 5.378 50 10 JKGE CC1(C)CCN(Cc2ccccc2)CCN1c1cccc(Br)c1CBr 2223452788 QQEFNUFNVJTEIR-UHFFFAOYSA-N 466.261 5.835 50 10 JKGE Cc1cc(Br)c([C@@H](Br)c2scc(C)c2Br)c(C)c1Cl 2224313922 WLLRUCUMHZDLDD-GFCCVEGCSA-N 487.482 7.336 50 10 JKGE Cc1ccc([C@@H](Br)c2cc(Br)c(Br)cc2F)cc1C 2225616026 MNTAZQBWEPTAJB-OAHLLOKOSA-N 450.971 6.452 50 10 JKGE CN(Cc1ccccc1)CC(C)(C)n1c(CCl)nc2cc(Br)c(Br)cc21 2225700274 FBHMMJUJZFPGRC-UHFFFAOYSA-N 499.678 6.167 50 10 JKGE COc1ccc([C@@H](Cl)c2sccc2I)cc1I 2248885617 CTTQKIVIMUDJSU-LLVKDONJSA-N 490.531 5.294 50 10 JKGE CC(C)c1cc(Br)cc([C@@H](Br)c2sc(Cl)cc2Br)c1 2265950525 IBNWABGEYGXDLN-CYBMUJFWSA-N 487.482 7.534 50 10 JKGE Fc1cccc(I)c1[C@@H](Cl)c1cc(C2CC2)c(Br)s1 2267742065 YODXWXOTVUCTRS-ZDUSSCGKSA-N 471.560 6.460 50 10 JKGE COc1ccc([C@H](Cl)c2cc(Br)ccc2Cl)cc1I 2269542880 LQBCSUDOVIESEK-AWEZNQCLSA-N 471.947 6.044 50 10 JKGE COc1ccc([C@@H](Cl)c2ccc(C)c(I)c2)cc1I 2269554639 UGDIPAHVLZOWTF-HNNXBMFYSA-N 498.529 5.541 50 10 JKGE C=CC[C@@]1(CBr)CCCN1Cc1ccc(Br)cc1Br 2272125165 BTXSOSGQMQJXPM-HNNXBMFYSA-N 452.028 5.517 50 10 JKGE Fc1cc(Br)c(F)c(Br)c1[C@@H](Br)[C@@H]1CCCC12CC2 2272856478 XKEBHMHAAHMXHP-CPCISQLKSA-N 458.966 6.506 50 10 JKGE Cc1ccc([C@H](Cl)Cc2cc(Br)cc(Br)c2)cc1Br 2277962139 CXOQEXZZJMHMIT-OAHLLOKOSA-N 467.426 6.805 50 10 JKGE CCn1cc([C@@H](Cl)Cc2cc(Br)cc(Br)c2)nc1Br 2277965273 LDRVUEXLLNESFA-NSHDSACASA-N 471.418 5.713 50 10 JKGE Cc1cc(Cl)c(Cl)cc1[C@@H](Br)c1cc(Cl)c(C)c(Br)c1 2279060578 VZMCVYVTUODOSB-HNNXBMFYSA-N 457.420 7.510 50 10 JKGE Cc1cc(Cl)c(Cl)cc1[C@@H](Br)c1cc(F)c(Br)cc1Cl 2282906388 BDDURVQTFAQVQP-CQSZACIVSA-N 461.383 7.341 50 10 JKGE Cc1c(CBr)cccc1NC(=O)c1cccc(Br)c1Br 2283564540 UIIYOEYARRBOAP-UHFFFAOYSA-N 461.979 5.667 50 10 JKGE COc1cc(C)c(Br)c(C)c1[C@H](Br)c1cc(Cl)c(Cl)s1 2285065515 OGILEHKWQLIBPC-CYBMUJFWSA-N 459.030 6.927 50 10 JKGE C=CC[C@@]1(CBr)CCCCN1Cc1ccc(Br)cc1Br 2287742222 IGMYXUQPYJMSHR-INIZCTEOSA-N 466.055 5.907 50 10 JKGE CCCCCCCOc1ccc(C=C(C#N)C(=O)Nc2ncc(Cc3ccccc3Cl)s2)cc1 2293038511 IIJPXXWNGPHUNT-UHFFFAOYSA-N 494.060 7.282 50 10 JKGE Cc1ccc(NC(=O)C(C#N)=Cc2cc(Cl)cc(Cl)c2OCc2ccccc2Cl)cc1 2293618333 QWJJXCDWUGMUAO-UHFFFAOYSA-N 471.771 7.080 50 10 JKGE COc1cc(C=C(C#N)c2nc3ccc(C)cc3[nH]2)ccc1OCc1ccc(Cl)cc1Cl 2296738425 STLQGTGUJDEHMZ-UHFFFAOYSA-N 464.352 6.830 50 10 JKGE CCSC(NC(=O)c1ccccc1)=C(C#N)[C@H](CC(=O)c1ccccc1)c1ccccc1Cl 2297453868 HQCYGORNQDHOBW-JOCHJYFZSA-N 475.013 6.615 50 10 JKGE CCc1ccc(NC(=O)C(C#N)=Cc2cn(Cc3cccc(C(=O)OC)c3)c3ccccc23)cc1 2313724551 HTARNHABGLDNLY-UHFFFAOYSA-N 463.537 5.584 50 10 JKGE COc1cccc(C=C(C#N)C(=O)Nc2cccc([N+](=O)[O-])c2)c1OCc1ccc(Cl)c(Cl)c1 2313738679 OEYJRJFYKJSYBG-UHFFFAOYSA-N 498.322 6.035 50 10 JKGE COc1ccc(N2C(=O)[C@H](Cc3ccccc3)SC2=C(C#N)C(=O)Nc2ccccc2C)cc1 2314591887 GWBPMEQOUWKLSQ-DEOSSOPVSA-N 469.566 5.069 50 10 JKGE Brc1cc([C@H](Br)[C@@H]2C[C@H]3CCC[C@H]2CC3)sc1Br 2316784474 BGYATLMSYANMAG-QISWUMQESA-N 457.069 6.926 50 10 JKGE Clc1ccc([C@H](Br)Cc2ccncc2Cl)c(I)c1 2317745768 WABNQZZPVJLPPA-LLVKDONJSA-N 456.936 5.672 50 10 JKGE C[C@H](c1ccncc1F)[C@H](Br)c1cc(Br)sc1Br 2321452156 ISXLPQKIMKNZIM-KBUNVGBDSA-N 457.988 6.047 50 10 JKGE CC[C@@H](NC(=O)C(C#N)=CNc1ccc(I)cc1C)c1ccc2c(c1)CCCC2 2325081457 UWOIERBZVMBRSN-JOCHJYFZSA-N 499.396 5.565 50 10 JKGE Cc1ccc(CBr)c(OCc2cc(Br)cs2)c1Br 2327531866 QQIYORHKQGWUCQ-UHFFFAOYSA-N 455.009 6.055 50 10 JKGE Clc1ccc(I)c(CN2CC[C@@H]3CC[C@@H](Br)[C@H]2C3)c1 2330966438 IPQPKTXRGSMCRD-PSOPSSQASA-N 454.577 5.083 50 10 JKGE N#CC(=Cc1ccc(OCc2c(F)cccc2Cl)cc1)c1cc2c(cc1[N+](=O)[O-])OCCO2 2331051439 RXGVPNOLSYRMOD-UHFFFAOYSA-N 466.852 5.802 50 10 JKGE COc1ccc(-c2csc(C(C#N)=C(O)CCCOc3ccc(C(C)(C)C)cc3)n2)cc1C 2331259895 OSMGICFRGJFQCY-UHFFFAOYSA-N 462.615 7.077 50 10 JKGE CSCC[C@@H](C(O)=C(C#N)c1nc(-c2ccc(C)cc2C)cs1)N1C(=O)c2ccccc2C1=O 2331311059 KASMKYCRWZSWSM-QFIPXVFZSA-N 489.622 5.638 50 10 JKGE COc1ccc(C)cc1-c1csc(C(C#N)=C(O)c2ccc(N3C(=O)c4ccccc4C3=O)cc2)n1 2331323028 VAHDCDNDSOQQJO-UHFFFAOYSA-N 493.544 5.878 50 10 JKGE COc1cc(C=CC(O)=C(C#N)c2nc(-c3cc(C)cc(C)c3OC)cs2)ccc1OC(C)=O 2331371954 VNLOXOXVXPOZBO-UHFFFAOYSA-N 476.554 5.876 50 10 JKGE CCOc1ccc(-c2csc(C(C#N)=Cc3ccc(OCc4ccc(C)cc4)cc3)n2)cc1 2331440483 YBXHPKTZLRAMGF-UHFFFAOYSA-N 452.579 7.160 50 10 JKGE Cc1sc(Br)cc1[C@H](Cl)c1c(F)cc(Cl)c(Br)c1Cl 2335375356 XOWPVOCZCDPXFL-NSHDSACASA-N 467.412 7.356 50 10 JKGE FC1(F)C[C@H]([C@H](Br)c2ccc(OCc3ccccc3)cc2Br)C12CCC2 2336045718 YPOMJNZSDMNWAA-IEBWSBKVSA-N 486.194 7.290 50 10 JKGE Cc1c(Cl)sc(Cl)c1[C@H](Br)c1c(F)cc(Br)cc1F 2336094569 UIWSRCJKHAWSDP-JTQLQIEISA-N 450.957 6.888 50 10 JKGE C[C@H](CC(C)(C)C)[C@@H](Br)c1c(Cl)cc(Br)c(F)c1Br 2337082901 RITWJURQGLIMRU-RDDDGLTNSA-N 479.453 7.512 50 10 JKGE C[C@@H](COc1cc(Br)cc(I)c1)c1nc(CCl)cs1 2338674254 QDQFKXQHQPAICT-QMMMGPOBSA-N 472.573 5.432 50 10 JKGE Cc1cc(Br)c(F)c(Br)c1[C@H](Br)[C@@H]1C[C@H]2CC[C@H]1C2 2339645218 GFLLXHUZQKBZNP-QISWUMQESA-N 455.003 6.531 50 10 JKGE Clc1cc(Cl)cc(C[C@@H](Br)c2ccc(Cl)cc2I)c1 2340059731 XKBAUYQRIJKIDA-CYBMUJFWSA-N 490.393 6.930 50 10 JKGE COc1ccc([C@H](Br)c2ccc(Cl)cc2I)c(C)c1 2340063518 LCQAVRQVRDMHMN-HNNXBMFYSA-N 451.529 5.746 50 10 JKGE CC1=C(C)C[C@@](CBr)(Cc2ccc(Cl)cc2I)CC1 2343448437 FLNLUZVGYVWUPV-MRXNPFEDSA-N 453.589 6.389 50 10 JKGE Fc1cccc(OCc2ccc(I)c(Br)c2)c1CBr 2349805312 GOSSUNGZXCUHBC-UHFFFAOYSA-N 499.943 5.667 50 10 JKGE COc1cc(CBr)cc(OCc2cc(Br)cc(Br)c2)n1 2364730536 ALHVCSYBIFIDTM-UHFFFAOYSA-N 465.967 5.089 50 10 JKGE COc1c(Br)cc(C)c([C@H](Br)[C@@H](C)CC(F)(F)F)c1Br 2365188742 NXBUBEDLUMNAGM-OIBJUYFYSA-N 482.960 6.553 50 10 JKGE COc1c(Br)cc(C)c([C@H](Br)c2cnc(Cl)n2C)c1Br 2365235450 LVUFHKVITWRJIM-SNVBAGLBSA-N 487.417 5.400 50 10 JKGE O=C(NC[C@H]1CCCC[C@H](Br)C1)c1ccc(Cl)cc1I 2365600185 ZGDFTMWNDZWXNM-QWRGUYRKSA-N 470.576 5.018 50 10 JKGE CN(Cc1c(Br)cccc1Br)c1ccc(Br)cc1CCl 2366161871 QGNBUQKJIOCXJO-UHFFFAOYSA-N 482.441 6.349 50 10 JKGE CCOc1ccc([C@@H](Br)c2cc(Br)cc(Br)c2)c(F)c1 2367459719 NHLYSRSQQFIJCZ-HNNXBMFYSA-N 466.970 6.234 50 10 JKGE COc1ccc(Br)c(CCl)c1OCc1sc(Cl)cc1Br 2372286690 HCCURLKMFRMJBG-UHFFFAOYSA-N 461.002 6.253 50 10 JKGE Cl[C@H]1CN(Cc2ccc(I)c(Br)c2)C2(CCCCC2)C1 2377352291 AGLAMQLWPRBKQZ-CYBMUJFWSA-N 468.604 5.570 50 10 JKGE CC(C)c1cc(Br)ccc1OCC(=O)NNC(=O)c1sc2ccccc2c1Cl 9231590 OFJPRFGYLHNQSU-UHFFFAOYSA-N 481.799 5.281 50 10 JKGE COc1ccc2nc(/C(C#N)=C/c3cc(OC)c(OCc4ccccc4)cc3Br)[nH]c2c1 9263708 GPULUTWEVNPAJC-VCHYOVAHSA-N 490.357 5.986 50 10 JKGE CCSc1ccsc1[C@@H]1C(C#N)=C(N)N(c2ccc(F)cc2)C2=C1C(=O)CC(C)(C)C2 9981346 SOLHLEDATRZLLS-HXUWFJFHSA-N 453.608 5.940 50 10 JKGE CCCCOc1ccc(/C=C(/C#N)C(=O)Nc2sc3c(c2C(=O)OC)CC[C@H](C(C)(C)C)C3)cc1 33596178 NOCLUUHOJMFPKH-YKRMCXMESA-N 494.657 6.410 50 10 JKGE C=CCNC(=O)/C(C#N)=C/c1cn(-c2ccccc2)nc1-c1cccc(OCc2ccc(C)cc2)c1 35446150 KCNGZLUFYYQVGY-KOEQRZSOSA-N 474.564 5.636 50 10 JKGE CC1=C(C#N)C(=O)N(Cc2cccnc2)C(=O)/C1=C/c1cn(-c2ccccc2)nc1-c1cc(C)ccc1C 38606755 OOYPRQUIZCAUNX-JFLMPSFJSA-N 499.574 5.344 50 10 JKGE CCCOc1cccc(C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@@H]3c2ccccc2OCC)c1 38650541 JUGWCDFTZHXANT-AREMUKBSSA-N 470.525 5.311 50 10 JKGE CCc1ccc(O[C@H](C)C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@@H]3c2c(F)cccc2Cl)cc1 38680630 PRMYQUXKAMTXPJ-OYLFLEFRSA-N 492.934 5.633 50 10 JKGE CCCOc1ccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4ccccc4C)ccc32)cc1OCC 38683754 PYTKIIJXYCZCGS-HHHXNRCGSA-N 484.552 5.620 50 10 JKGE N#C/C(=C\c1ccc(-c2c(Cl)cccc2Cl)o1)C(=O)Nc1ccccc1C(F)(F)F 39884740 YWGCKBAZZOLAFQ-ZRDIBKRKSA-N 451.231 6.818 50 10 JKGE N#C/C(=C\c1ccc(-c2ccc(Br)cc2)o1)c1nc(-c2ccc([N+](=O)[O-])cc2)cs1 39885075 BQJLQVJRDGUDKH-LFIBNONCSA-N 478.327 6.805 50 10 JKGE COc1cc(/C=C(\C#N)c2ccc(Cl)cc2)ccc1OC(=O)COc1c(C)ccc(C)c1C 40864667 KBFPTURJWKTHHA-LPYMAVHISA-N 461.945 6.322 50 10 JKGE COc1c(C(=O)N/N=C/c2ccc(Oc3ccc([N+](=O)[O-])cc3[N+](=O)[O-])cc2)ccc2ccccc12 59155769 RXYKBYSSDFVAMV-CVKSISIWSA-N 486.440 5.221 50 10 JKGE COc1cc(/C=N/NC(=O)c2cc3ccccc3o2)cc(Cl)c1OCc1ccc(F)cc1 59304923 OPACJLYMULXSPW-UVHMKAGCSA-N 452.869 5.577 50 10 JKGE CCOC(=O)/C(C#N)=C\c1ccc(OC(=O)/C=C/c2ccc(OCc3ccccc3)cc2)c(OCC)c1 98027891 SEEHHVLCEPDSJD-IJAZIUTGSA-N 497.547 5.753 50 10 JKGE CC(C)c1ccc(N/C=C(/C#N)c2nc(-c3cc4cc(Br)ccc4oc3=O)cs2)cc1 100082684 RFDNKVWRRNSFFP-ATVHPVEESA-N 492.398 6.779 50 10 JKGE CCCCOC(=O)c1ccc(N/C=C(/C#N)c2nc(-c3ccc(CC(C)C)cc3)cs2)cc1 102934511 BIASBTYNYLLRRZ-QJOMJCCJSA-N 459.615 6.942 50 10 JKGE CCN1CC2=C(NC(N)=C(C#N)[C@H]2c2ccc(SC)cc2)/C(=C\c2ccc(SC)cc2)C1 103067860 ULMXWQNSCKIHAV-YSPNNUNSSA-N 460.672 5.184 50 10 JKGE COc1cccc(N/C(SCc2ccc(C)cc2C)=C(\C#N)C(=O)NCc2ccccc2)c1 105423116 NCBLJYIBNYUAQR-RFBIWTDZSA-N 457.599 5.709 50 10 JKGE Clc1cc2c(cc1[C@@H](Br)c1cccc(I)c1)OCCCO2 109866536 NLTQAULQKJSPJB-INIZCTEOSA-N 479.539 5.590 50 10 JKGE CC1(C)C[C@H](NC(=O)N2CCC(c3cc4cc(Cl)ccc4[nH]3)CC2)C[C@](C)(CN=C=O)C1 170290656 LECNATSJSUPQGF-CPJSRVTESA-N 457.018 5.631 50 10 JKGE Cc1nn(Cc2ccccc2Cl)c(C)c1/C=C(/C#N)C(=O)Nc1cccc(Cl)c1Cl 205774819 QAXHBXJEKPWUPD-YBEGLDIGSA-N 459.764 6.054 50 10 JKGE Brc1cc([C@@H](Br)[C@H]2[C@@H]3CCc4ccccc4[C@@H]23)c(Br)s1 227470791 ITXOQDMHUAKBGJ-QPKOPYBWSA-N 477.059 6.685 50 10 JKGE CCOc1ccc([C@H](Br)c2cc(Br)ccc2Cl)cc1Br 228993257 CEMONFWSPHHQBR-HNNXBMFYSA-N 483.425 6.748 50 10 JKGE COc1ccc([C@H](Br)c2ccc(I)c(Cl)c2)cc1OC 232342599 HDQIUHZPPMADNP-OAHLLOKOSA-N 467.528 5.446 50 10 JKGE Clc1cc(Br)cc([C@H](Cl)c2cc(Br)c(Br)s2)c1 236031403 FFMBNGCUQXUPBW-JTQLQIEISA-N 479.846 7.017 50 10 JKGE Clc1ccsc1[C@H](Br)c1cc(Br)ccc1I 236053092 OSXBRAJHFSFNMH-SNVBAGLBSA-N 492.401 6.253 50 10 JKGE BrCC(CBr)(C[C@@H]1C[C@H]2CC[C@H]1C2)c1ccc(Br)cc1 250257295 RHSGHTZEAZAUHZ-IHRRRGAJSA-N 465.067 6.303 50 10 JKGE O=C(NN=Cc1ccccc1OCc1ccc(Br)cc1)c1cccc2ccccc12 252585677 KGFMHPGMILUCNJ-UHFFFAOYSA-N 459.343 5.945 50 10 JKGE CC(=NNC(=O)c1c(O)ccc2ccccc12)c1ccc(NC(=O)c2ccccc2Cl)cc1 254626909 KOTYSFJGKQWCQI-UHFFFAOYSA-N 457.917 5.605 50 10 JKGE CC[C@@H]1CCC[C@@H](O[C@@]2(CI)CCCN(C(=O)OC(C)(C)C)C2)C1 303742209 XNABZRZUPWGIAB-GPMSIDNRSA-N 451.389 5.177 50 10 JKGE Clc1cc([C@@H](Cl)c2cc3c(cc2Br)OCC3)ccc1I 308436295 OLUBKXJUEHDOGE-OAHLLOKOSA-N 483.958 5.970 50 10 JKGE CCc1cc(C)sc1[C@H](Br)c1cc(Cl)ccc1I 311216722 NJNGKQVVCGZLLW-CYBMUJFWSA-N 455.586 6.361 50 10 JKGE FC(F)(F)c1csc([C@H](Br)c2cc(Cl)sc2Cl)c1Br 311880442 UKJHBOUDWUHNEF-ZCFIWIBFSA-N 474.976 7.382 50 10 JKGE BrCc1cc(Br)cc(Br)c1OCCC[C@H]1CCOC1 400519515 CGZXZGHRJFBVQP-JTQLQIEISA-N 457.000 5.302 50 10 JKGE CC(C)(C)CN(CCBr)C(=O)c1ccc(Br)cc1Br 690954192 GXXMJGUACFGZEC-UHFFFAOYSA-N 456.016 5.095 50 10 JKGE COc1ccc([C@H](Br)c2scc(Br)c2Br)cc1C 705426982 PQNZURURZDCPHY-NSHDSACASA-N 455.009 6.074 50 10 JKGE Clc1cnccc1C[C@H](Cl)c1ccc(I)c(Br)c1 721575665 AOZBPDPVOHALLX-NSHDSACASA-N 456.936 5.625 50 10 JKGE Cc1ccc(-n2c(C)c(Br)c(C=NNC(=O)[C@H](C)Sc3ccccc3)c2C)cc1C 1084178965 AQXIKFCBZLPKFM-IBGZPJMESA-N 484.463 6.104 50 10 JKGE N#C/C(=C/c1cccc(OCc2ccc(Br)cc2)c1)C(=O)Nc1cccc([N+](=O)[O-])c1 1084428072 PWQQGNYNOGUBBH-WQRHYEAKSA-N 478.302 5.482 50 10 JKGE COc1ccc(C(=O)NN(C(=O)c2cc(Cl)cc(Cl)c2)C(C)(C)C)c2c1OC(C)(C)C2 1615950894 NFQJNCFAJRJQEZ-UHFFFAOYSA-N 465.377 5.301 50 10 JKGE Cc1ccccc1C(=O)NN=C1CCCc2oc(C(=O)Nc3cccc(Cl)c3Cl)c(C)c21 1772743690 IUPYJUNEEQPDJM-UHFFFAOYSA-N 470.356 5.926 50 10 JKGE Cc1c(C(=O)Oc2cccc3ccccc23)oc2c1C(=NNC(=O)c1ccccc1Cl)CCC2 1772743960 MJDSWKWLJHWKNZ-UHFFFAOYSA-N 472.928 6.084 50 10 JKGE Cc1ccc2c(CC(=O)NN=C3CCCc4oc(C(=O)N5CCCC[C@H]5C)c(C)c43)coc2c1C 1772751990 QTMDOOXUQVJISR-QGZVFWFLSA-N 475.589 5.365 50 10 JKGE COc1cc(C=NNC(=O)[C@H](C)Oc2cc(C)c(Cl)c(C)c2)ccc1OCc1ccccc1C 1772756371 WGBFQSBWCWHKFM-FQEVSTJZSA-N 480.992 5.770 50 10 JKGE N#CC1=C(N)Oc2c(c(-c3ccccc3)nn2Cc2ccc(Cl)cc2)[C@@H]1c1cccc2ccccc12 1865682408 NRWQJCNRMDCWHY-AREMUKBSSA-N 488.978 6.623 50 10 JKGE CCCc1nn(-c2ccc(Br)cc2)c2c1[C@H](c1ccc(Cl)cc1)C(C#N)=C(N)O2 1865684309 WHAVXJKCIFZDPE-LJQANCHMSA-N 469.770 5.459 50 10 JKGE Cc1nn(-c2ccc(Cl)c(Cl)c2)c2c1[C@H](c1ccc(Cl)cc1Cl)C(C#N)=C(N)O2 1865685970 OYFYQYITSIYFMD-GOSISDBHSA-N 466.155 6.013 50 10 JKGE CCCOc1ccc([C@H]2C(C#N)=C(N)Oc3c2c(C(F)(F)F)nn3-c2ccc(C)cc2)cc1 1865694380 UJTGXNDDFYEZSA-IBGZPJMESA-N 454.452 5.207 50 10 JKGE N#CC1=C(N)Oc2c(c(-c3ccccc3)nn2Cc2cccc(F)c2)[C@@H]1c1c[nH]c2ccccc12 1865699876 FPYPRDIDLZKNRC-DEOSSOPVSA-N 461.500 5.437 50 10 JKGE COc1ccc(-c2nn(-c3cccc(Cl)c3)c3c2[C@@H](c2cccc([N+](=O)[O-])c2)C(C#N)=C(N)O3)cc1 1865706437 WRYOFLZKSYKOON-QFIPXVFZSA-N 499.914 5.328 50 10 JKGE C/C(=C\c1ccccc1Cl)C(=O)N[C@@H](C(=O)Nc1ccc(SC#N)cc1)c1ccccc1 1866820334 QBPHMDFHTHBGKL-CZTSOZTGSA-N 461.974 5.813 50 10 JKGE N#CSc1ccc(Nc2cc(N3CCN(C(=O)C4CC4)CC3)nc(-c3ccccc3Cl)n2)cc1 1868415560 YXEKJTQKRGWMDW-UHFFFAOYSA-N 491.020 5.172 50 10 JKGE CC(C)C[C@H](/C(O)=C(\C#N)c1nc(-c2ccc([N+](=O)[O-])cc2)cs1)N1C(=O)c2ccccc2C1=O 1872747033 KUVHSKYRUUFRNN-DQVIVYRFSA-N 488.525 5.222 50 10 JKGE Cc1cc(-c2csc(/C(C#N)=C(\O)Cc3ccc(OCc4ccccc4)cc3)n2)ccc1F 1872749947 PAIALMWUMCCTMN-RWEWTDSWSA-N 456.542 6.872 50 10 JKGE Cc1cc(OCCC/C(O)=C(\C#N)c2nc(-c3ccc4c(c3)OCO4)cs2)cc(C)c1Cl 1872752704 OQVPCTSQIRWZSG-ZZEZOPTASA-N 468.962 6.461 50 10 JKGE COc1c(Cl)cc(Cl)cc1-c1csc(/C(C#N)=C(O)/C(C#N)=C/c2ccccc2)n1 1872754461 UACURRBRNYRRDK-QCMJLRSOSA-N 454.338 6.525 50 10 JKGE COc1cccc(-c2csc(/C(C#N)=C/c3cccc(OC)c3OCc3cccc(C)c3)n2)c1 1872781832 UMTBBJNCKVLALN-OEAKJJBVSA-N 468.578 6.779 50 10 JKGE CCOc1cc(/C=C(\C#N)c2nc(-c3c[nH]c4ccccc34)cs2)ccc1OCc1ccc(C)cc1 1872791409 IIILECIIMGGCOZ-OEAKJJBVSA-N 491.616 7.642 50 10 JKGE COc1ccc(-c2csc(/C(C#N)=C/c3ccc(OCc4ccc(C)cc4)cc3)n2)c(OC)c1OC 1872795044 JZKBIOARKFRYFN-PXLXIMEGSA-N 498.604 6.788 50 10 JKGE COc1ccc(Cl)cc1-c1csc(/C(C#N)=C/c2ccc(OCc3ccccc3)cc2)n1 1872795242 VHZPXOFFAIRKGD-DEDYPNTBSA-N 458.970 7.115 50 10 JKGE CC(C)[C@H](NC(=O)OC(C)(C)C)C(=O)N/N=C/c1ccc(OCc2ccc(Cl)c(Cl)c2)cc1 1873795464 KTELVGFAFLRNNU-HFLRGAGPSA-N 494.419 5.572 50 10 JKGE N#C/C(=C(/O)COc1ccc(Cl)cc1Cl)c1nc(-c2ccc(-c3ccccc3)cc2)cs1 1873941171 ZMDPWXDVYFSMIX-ATJXCDBQSA-N 479.388 7.656 50 10 JKGE CC(C)(C)OC(=O)Nc1ccc2c(c1)CC[C@@H]2[C@@H](CBr)NC(=O)OC(C)(C)C 1885097027 NNCKHYJOBFCZMP-DLBZAZTESA-N 455.393 5.352 50 10 JKGE C[C@H](c1cccs1)N(Cc1ccccc1)S(=O)(=O)c1cc(CCl)oc1Br 1914877339 DAPUXPDRUKXJNW-CYBMUJFWSA-N 474.829 5.795 50 10 JKGE Cc1c(Br)sc([C@H](Br)C[C@@H]2CC(C)(C)CO2)c1Br 1922920793 KRPYDHBSVSLXAA-RKDXNWHRSA-N 461.057 6.223 50 10 JKGE Cc1cc([C@@H](Cl)c2sc(Br)c(C)c2Br)sc1Br 1922931332 BFQHXDUQEBYTGT-MRVPVSSYSA-N 479.484 7.042 50 10 JKGE CCC1CCC([C@H](Br)c2c(Br)sc(Br)c2Cl)CC1 1923038201 HTWQGTPNABWMEL-KTOWXAHTSA-N 479.503 7.579 50 10 JKGE C[C@H](c1ccncc1Br)[C@H](Br)c1csc(I)c1 1924024061 WPPJMMKLKNVWOC-KRTXAFLBSA-N 486.998 5.750 50 10 JKGE FC1(F)[C@H]([C@@H](Cl)c2c(Br)sc(Br)c2Br)C12CCC2 1924615806 GOMYZEAOHGHZEV-NKWVEPMBSA-N 485.413 6.751 50 10 JKGE Clc1ccc(I)c([C@@H](Cl)Cc2ncccc2Br)c1 1924859423 BDYHCZSNMWTKOB-NSHDSACASA-N 456.936 5.625 50 10 JKGE Fc1c(Br)cccc1[C@@H](Br)c1c(Cl)sc(Cl)c1Cl 1925587230 HVXJNZAIEJLZAM-SSDOTTSWSA-N 453.385 7.094 50 10 JKGE CCC1([C@@H](Br)c2c(Br)sc(Br)c2Br)CCC1 1940118093 TZCRKARVAHNXKK-QMMMGPOBSA-N 495.900 7.052 50 10 JKGE Cc1cc([C@H](Cl)c2c(Cl)sc(Br)c2Cl)c(Br)s1 1951015994 HNVODSJWGFFXJE-LURJTMIESA-N 455.451 7.278 50 10 JKGE BrC[C@H](OCCOCCOCc1ccccc1)c1ccccc1Br 2007814758 XKCHDBPDCZDJPC-IBGZPJMESA-N 458.190 5.135 50 10 JKGE CCOc1ccc([C@H](Br)c2cc(Br)sc2Br)s1 2026359129 BVZRMVCBIJYSLD-SNVBAGLBSA-N 461.038 6.218 50 10 JKGE CCCc1ccccc1[C@@H](Br)c1cc(Br)sc1Br 2027899952 SZTWYBWHPCFKDH-CYBMUJFWSA-N 453.037 6.710 50 10 JKGE Fc1cc(Br)c([C@H](Br)c2cscc2OCc2ccccc2)c(F)c1F 2038687577 BSKNDRSTXJJOMC-MRXNPFEDSA-N 492.154 6.991 50 10 JKGE N#CC(C(=O)CN1CCC(Cc2ccccc2)CC1)=C1NC(c2ccc(Br)cc2)=CS1 2042453508 NHXPRZXCCVUIJU-UHFFFAOYSA-N 494.458 5.343 50 10 JKGE Clc1c(Br)sc(Br)c1[C@H](Br)C12CCCC1CCC2 2063812541 ITIIZJJQUNPHRT-JRIBOLAGSA-N 477.487 7.333 50 10 JKGE Fc1ccc(Cn2nc(CCl)c(I)c2C(F)(F)F)cc1C(F)(F)F 2079210558 USSGHDRJLLTCOI-UHFFFAOYSA-N 486.556 5.452 50 10 JKGE Cc1cc(Br)c([C@H](Br)CCCC(F)(F)F)cc1Br 2080316323 PJXSJXOZIMLTNI-SECBINFHSA-N 452.934 6.689 50 10 JKGE COc1cc(F)c([C@@H](Br)c2ccc(Br)s2)cc1Br 2082783123 XBMSEBNQECUMBI-GFCCVEGCSA-N 458.972 5.905 50 10 JKGE CCN(C[C@](C)(CBr)OCc1cc(F)ccc1Br)C(=O)OC(C)(C)C 2085379247 VKPKWACIHPTDHC-SFHVURJKSA-N 483.216 5.515 50 10 JKGE Brc1cc([C@H](Br)C2C[C@H]3COC[C@H](C2)C3)sc1Br 2085743987 OPOVSRRZHGFLRW-YVZVNANGSA-N 459.041 5.772 50 10 JKGE COc1cc(Br)c(C)cc1[C@H](Br)c1cccc(I)c1 2089724724 GHUUTOFPXQBICA-OAHLLOKOSA-N 495.980 5.855 50 10 JKGE C[C@H](Cl)c1nc2cc(I)ccc2n1C1(CCOCc2ccccc2)CC1 2090323230 YTWJMYJEVNMMCF-HNNXBMFYSA-N 480.777 6.037 50 10 JKGE FC1(F)CCN(Cc2c(Br)cccc2Br)CC[C@@H]1Br 2094093774 UWNSTUHKJJPJGK-LBPRGKRZSA-N 461.970 5.206 50 10 JKGE Brc1cccc(Br)c1C[C@H](Br)CN1CCCCCC1 2099445376 XRMZMEHGLFUBLV-LBPRGKRZSA-N 454.044 5.394 50 10 JKGE Cc1cc(F)c(C[C@@H](Br)c2ccccc2Br)c(Br)c1 2116783907 ZUFDRCBEIFRUPP-CQSZACIVSA-N 450.971 6.338 50 10 JKGE Fc1c(Br)ccc(Cl)c1C[C@H](Br)c1cccc(Br)c1 2122153986 PYLXUVWSSAASFN-LBPRGKRZSA-N 471.389 6.683 50 10 JKGE Cc1csc([C@@H](Br)c2c(Br)cc(F)c(Cl)c2F)c1Cl 2136967561 VUPSRLSCRIWHCL-QMMMGPOBSA-N 450.957 6.888 50 10 JKGE COc1cccc(F)c1[C@H](Br)c1ccc(Br)cc1Br 2138849226 CYIQVQBCBRFXIY-CQSZACIVSA-N 452.943 5.844 50 10 JKGE Cc1c(Br)ccc([C@H](Br)[C@@H]2CCCCC2(F)F)c1Br 2138849602 FLUYOEMZOLXRMR-GWCFXTLKSA-N 460.982 6.782 50 10 JKGE Fc1cc([C@@H](Br)c2ccc(Br)cc2Br)cc(F)c1F 2138851129 JIFIZMPAUOSFMM-GFCCVEGCSA-N 458.897 6.113 50 10 JKGE Clc1cc(CN[C@H](CBr)C2CCCCC2)ccc1I 2142950687 UBRFETIDVHZJPO-OAHLLOKOSA-N 456.593 5.378 50 10 JKGE Clc1cc([C@H](Cl)c2cc(Br)c3c(c2)CCO3)ccc1I 2146622186 RGGJDNWNTSOPFD-AWEZNQCLSA-N 483.958 5.970 50 10 JKGE ClCCc1nc2cc(Br)c(Cl)cc2n1C1CC(COCc2ccccc2)C1 2159865229 CFSBBPAPKMLSGE-UHFFFAOYSA-N 468.222 6.401 50 10 JKGE O=C(c1cc(Br)c(Br)s1)N1CCC[C@@H]2CC[C@H](Br)C[C@@H]21 2167015505 ZZMHJXJVAHLNLE-YWVKMMECSA-N 486.067 5.441 50 10 JKGE CC(C)(C)OC(=O)NCC[C@@H](N(C[C@H](CBr)CC1CC1)C1CC1)C(F)(F)F 2169162124 LDJHYJQFVKDYBQ-GOEBONIOSA-N 457.375 5.108 50 10 JKGE Fc1c(Br)ccc(CC[C@H](Br)c2cccc(Br)c2)c1F 2169789808 RNWSDJJCVQCMAL-LBPRGKRZSA-N 468.961 6.559 50 10 JKGE Clc1sc([C@@H](Cl)c2cc3c(cc2Br)OCCO3)cc1Br 2172569385 MKNVZICTKJQDFT-LBPRGKRZSA-N 458.986 6.026 50 10 JKGE C[C@@H]1OCC[C@H]1CCC(CBr)(CBr)c1cccc(Br)c1 2196319251 YQVQSPBNMUISMA-QWHCGFSZSA-N 469.055 5.682 50 10 JKGE Cc1cc(Br)c(C)c([C@H](Br)[C@@H]2[C@H]3CCC(F)(F)[C@@H]32)c1Br 2201076611 GAOYAQJFDWHGHP-XFOOOJQKSA-N 472.993 6.556 50 10 JKGE CCO[C@@H]1CC[C@@H]([C@@H](Br)c2c(C)c(Br)cc(C)c2Br)C1 2201079118 QSBGVJJWVJFKKT-XHBSWPGZSA-N 469.055 6.470 50 10 JKGE ClCc1nc2c(Br)cccc2n1C[C@@H]1CC1(Br)Br 2217992942 UFNIECCOEMJOLP-ZETCQYMHSA-N 457.391 5.044 50 10 JKGE Cc1cccc(C)c1[C@H](Br)c1cc(Br)c(Br)cc1F 2225615372 GWLKXPMEAWNMAJ-OAHLLOKOSA-N 450.971 6.452 50 10 JKGE Fc1cc(Br)c(Br)cc1[C@H](Br)Cc1cccc(Cl)c1 2225616238 DQNWKPGAVMRIIE-LLVKDONJSA-N 471.389 6.683 50 10 JKGE CCCCCCc1ccc([C@@H](Br)c2cc(I)sn2)s1 2225760989 MBGGRAPRQNDGQB-AWEZNQCLSA-N 470.239 6.416 50 10 JKGE BrCCC[C@@H]1CCCN(Cc2cccc(Br)c2Br)C1 2225814713 MHHLOUPDMQOAJZ-GFCCVEGCSA-N 454.044 5.599 50 10 JKGE Cc1sc([C@@H](Br)c2cc3c(cc2Br)OCC3)cc1Br 2226085097 WEXPIIBAEWXXHH-AWEZNQCLSA-N 467.020 6.001 50 10 JKGE Cc1cc(Br)c([C@@H](Br)[C@]23CO[C@](C)(C2)C3)c(C)c1Br 2227360722 VWPKFMZFIHBLDM-RBSFLKMASA-N 453.012 5.834 50 10 JKGE Cc1cccc(C[C@@H](Br)c2c(Br)cc(Cl)c(Cl)c2Cl)c1 2232512157 MUPOEQGPWVMYTP-SNVBAGLBSA-N 457.420 7.396 50 10 JKGE Fc1cc(Br)c(Br)cc1[C@@H](Br)[C@@H]1CCn2ccnc2C1 2233981513 JMHSTWVEKUFKIK-CLAHSXSESA-N 466.974 5.246 50 10 JKGE COc1c(C)cc(Br)c(C)c1[C@@H](Br)c1cc(Br)c(C)s1 2234475188 PXVAOMBLJZIAJR-AWEZNQCLSA-N 483.063 6.691 50 10 JKGE Cc1cc(Br)c([C@H](Br)C2CC(C3CCC3)C2)c(C)c1Br 2235607249 YUDVLXIDLDCOIE-QWQCLYJRSA-N 465.067 7.091 50 10 JKGE Cc1cc(Br)c([C@H](Br)[C@@]23CCC[C@@H](C2)OC3)c(C)c1Br 2235609189 WZKIXJPCLNLHKI-UVBJJODRSA-N 467.039 6.224 50 10 JKGE CCn1cc(Br)c([C@@H](Cl)c2c(Br)cc(C)c(Br)c2C)n1 2235610865 SVZYKWJKSTXIAW-ZDUSSCGKSA-N 485.445 6.136 50 10 JKGE COc1c([C@H](Br)c2cc(Br)c(Br)s2)csc1C 2250105175 WODNTBGNSKAQLT-VIFPVBQESA-N 461.038 6.136 50 10 JKGE COc1ccc([C@H](Cl)c2ccccc2OCc2ccccc2)cc1I 2257374016 PYFVHYCNGLQRKO-NRFANRHFSA-N 464.730 6.207 50 10 JKGE Fc1cc(Br)c(F)c(Br)c1[C@H](Cl)c1cc(Cl)sc1Cl 2272852038 CEEJIVMGTQTRQG-SECBINFHSA-N 471.375 7.186 50 10 JKGE FC(F)(F)c1csc([C@@H](Cl)c2cccc(Cl)c2Br)c1Br 2283197030 COWMYPMVAWFSPF-JTQLQIEISA-N 468.947 7.274 50 10 JKGE COc1cc(C)c(Br)c(C)c1[C@@H](Br)c1scc(Br)c1C 2285071039 WJTDDWDJKWGUPA-CQSZACIVSA-N 483.063 6.691 50 10 JKGE CC1(C)CCC[C@]12[C@@H](Br)C[C@@H]2Oc1cc(I)ccc1Cl 2288256000 LAOQNBUJFVLYJN-OFQRWUPVSA-N 469.588 6.056 50 10 JKGE Cc1ccc([C@H](Cl)c2c(F)cc(Br)c(F)c2Br)c(Br)c1 2288352292 HDJWGQUNPAXDLS-ZDUSSCGKSA-N 489.379 6.889 50 10 JKGE N#CC(=Cc1ccc(-c2cc(C(F)(F)F)ccc2Cl)o1)C(=O)Nc1ccc(Cl)c(Cl)c1 2293038556 LFAKUWWVWYSMHG-UHFFFAOYSA-N 485.676 7.471 50 10 JKGE FC(F)(F)C1([C@H](Br)Cc2cc(Br)cc(Br)c2)CCCC1 2295332640 ZOVRUZJMCAWNIN-GFCCVEGCSA-N 478.972 6.640 50 10 JKGE CCOC(=O)c1c(NC=C(C#N)c2nc(-c3ccc4c(c3)OCO4)cs2)sc2c1CCCC2 2296024790 DBERLFYISIQBPU-UHFFFAOYSA-N 479.583 5.632 50 10 JKGE N#CC(C(=O)c1ccccc1)=C1S[C@H](Cc2ccc(Br)cc2)C(=O)N1c1ccccc1 2296506745 CHLRUSZPGBCUEZ-JOCHJYFZSA-N 489.394 5.758 50 10 JKGE COc1ccc(-c2nn(-c3ccccc3)cc2C=C(C#N)C(=O)Nc2ccccc2Cl)cc1OC 2297488334 AEPKXLUSSRZQKS-UHFFFAOYSA-N 484.943 5.756 50 10 JKGE N#CC(=Cc1ccc(-c2cc(C(=O)O)ccc2Cl)o1)C(=O)NCCc1c[nH]c2ccccc12 2297504827 MZUDRUZINQYTFM-UHFFFAOYSA-N 459.889 5.045 50 10 JKGE COc1ccc(C(=O)Oc2ccc(C=C(C#N)C(=O)Nc3ccc([N+](=O)[O-])cc3Cl)cc2)cc1 2297551659 XMVVKPNXEIIICH-UHFFFAOYSA-N 477.860 5.022 50 10 JKGE Brc1cc(OCc2ccccc2)ccc1[C@@H](Br)[C@@H]1C[C@H]2CC[C@@H]1O2 2299489302 NTGDTIRBHURDRG-WSTLGDPDSA-N 452.186 6.032 50 10 JKGE Cc1c(Br)sc([C@@H](Br)[C@H]2OC[C@@H]3CCC[C@H]23)c1Br 2312254971 ZNVDUOLCVBARTK-UUTMEEIUSA-N 459.041 5.833 50 10 JKGE CCOc1cc(C=C(C#N)C(=O)NCc2cccs2)ccc1OCc1cccc2ccccc12 2313540634 LWHYOCYZHSPXRQ-UHFFFAOYSA-N 468.578 6.102 50 10 JKGE Cc1ccc(NC(=O)C(C#N)=Cc2cc(Br)ccc2OCc2ccc(F)cc2)cc1 2313540895 ALSSIGAUADZGBU-UHFFFAOYSA-N 465.322 6.021 50 10 JKGE N#CC(=Cc1ccc(OCc2ccc3ccccc3c2)cc1)C(=O)Nc1cccc(Cl)c1Cl 2313570765 FTIVGJCGSAOUMZ-UHFFFAOYSA-N 473.359 7.271 50 10 JKGE CC(C)=CCCC(C)=CC=NNC(=O)COc1ccc(Br)cc1Br 2313574251 QNOXJCUNIMKODI-UHFFFAOYSA-N 458.194 5.385 50 10 JKGE Brc1ccc(OCc2ccccc2)c([C@H](Br)[C@H]2[C@H]3CCCCC[C@H]32)c1 2314461542 QUBFPBITECVACY-UDKICSLYSA-N 464.241 7.290 50 10 JKGE N#CC(=Cc1ccc(N2N=C(c3ccccc3)C[C@H]2c2ccccc2)cc1)C(=O)Nc1ccccc1 2314482918 ZLEXXQNVLOUFBF-PMERELPUSA-N 468.560 6.588 50 10 JKGE Cc1ccc(N2C(=O)[C@@H](Cc3ccc(Cl)cc3)SC2=C(C#N)C(=O)Nc2ccccc2)cc1C 2314592487 VJMLWRPBYKHPFH-XMMPIXPASA-N 488.012 6.022 50 10 JKGE CCOc1ccc(N2C(=O)[C@@H](Cc3ccccc3C)SC2=C(C#N)C(=O)NCc2ccccc2)cc1 2314593882 VLWJQOLLLRPPJU-AREMUKBSSA-N 497.620 5.136 50 10 JKGE CCCCCCCOc1ccc(C=C2C(=O)N(CCCOC)C(=O)C(C#N)=C2C)cc1OCC 2314618043 GFEFMWNDYDSUDP-UHFFFAOYSA-N 468.594 5.063 50 10 JKGE Cc1c(Br)sc([C@@H](Br)[C@H]2[C@@H]3[C@H]2CCCC3(F)F)c1Br 2330161323 UEBIRUNNZMFVDF-ODHVRURNSA-N 479.022 6.699 50 10 JKGE COc1cc(C=C(C#N)c2nc(O)c3ccccc3n2)ccc1OCc1ccc(Cl)c(Cl)c1 2331029991 MTHCRDFSHAXHJF-UHFFFAOYSA-N 478.335 6.294 50 10 JKGE C[C@@H](Oc1ccc(Cl)cc1Cl)C(O)=C(C#N)c1nc(-c2cccc(Br)c2)cs1 2331279213 WOHJEMGWEJYPMB-LLVKDONJSA-N 496.213 7.140 50 10 JKGE CCCOc1ccc(-c2csc(C(C#N)=C(O)c3c(OC)cccc3OC)n2)cc1OCCC 2331293233 LBEDPLYMWHCGEE-UHFFFAOYSA-N 480.586 6.355 50 10 JKGE COC(=O)c1ccccc1N1C[C@H](C(O)=C(C#N)c2nc(-c3cccc4ccccc34)cs2)CC1=O 2331339073 DVNBGDOLDTZAIE-GOSISDBHSA-N 495.560 5.596 50 10 JKGE CCOc1cc(C(O)=C(C#N)c2nc(-c3ccc(F)cc3)cs2)cc(OCC)c1OCC 2331342585 KHTQTVKBZQHTFI-UHFFFAOYSA-N 454.523 6.095 50 10 JKGE COc1ccc(-c2csc(C(C#N)=C(O)CCCCCNC(=O)c3ccccc3)n2)c2ccccc12 2331408116 AYAUTUKHRMUTLP-UHFFFAOYSA-N 497.620 6.755 50 10 JKGE N#CC(=Cc1ccc(OCc2ccc(Cl)cc2Cl)cc1)c1nc(-c2ccc(F)cc2)cs1 2331459091 KFDZRDNNDXVOIW-UHFFFAOYSA-N 481.379 7.899 50 10 JKGE COc1cc(C)c(-c2csc(C(C#N)=Cc3ccc(Cl)c([N+](=O)[O-])c3)n2)cc1C(C)C 2331464215 MGSUGVCIGOKUKQ-UHFFFAOYSA-N 453.951 6.876 50 10 JKGE Cc1cc(C)c(-c2csc(C(C#N)=Cc3ccccc3OCc3ccccc3Cl)n2)c(C)c1 2331478780 WIFVPEMVKAAZMZ-UHFFFAOYSA-N 471.025 8.032 50 10 JKGE CCCCCOc1ccc(C=C(C#N)c2nc(-c3ccc(OC)c(OC)c3OC)cs2)cc1 2331491437 GXWZSJPZPGSZDI-UHFFFAOYSA-N 464.587 6.469 50 10 JKGE COc1ccc([C@H](Cl)c2cc(Br)ccc2OCc2ccccc2)c(Cl)c1 2336039199 UOSPYPZHQAFPAU-NRFANRHFSA-N 452.175 7.018 50 10 JKGE CS(=O)(=O)c1cscc1[C@H](Cl)c1ccc(OCc2ccccc2)cc1Br 2336047683 NRULZKJGOOKQDY-LJQANCHMSA-N 471.825 5.821 50 10 JKGE Cc1cc([C@H](Br)c2c(Cl)cc(Br)c(F)c2Br)sc1C 2337091841 HSICASYQUOOIFB-NSHDSACASA-N 491.445 7.167 50 10 JKGE CC1(C)COC[C@@H]1[C@H](Br)c1c(Cl)cc(Br)c(F)c1Br 2337097932 ODVMVWPPXLLVDB-LDWIPMOCSA-N 479.409 6.113 50 10 JKGE Brc1cc(Br)cc(CO[C@H]2C[C@@H](Br)C23CCCC3)c1 2337098845 PZUWXLYHDYDLJS-KGLIPLIRSA-N 453.012 5.824 50 10 JKGE CCCc1sc(Br)cc1[C@H](Br)c1nn(CC)cc1Br 2338029843 NLILTXDAROUBDN-LBPRGKRZSA-N 471.056 5.926 50 10 JKGE Fc1cc([C@@H](Br)c2sc(Cl)cc2I)c(F)c(F)c1F 2338565906 GHDPMVOHHYAXNK-SSDOTTSWSA-N 485.465 6.047 50 10 JKGE Cc1c(F)ccc([C@H](Br)c2cc(Br)ccc2OCc2ccccc2)c1Cl 2338768163 NWQQIAAFXCUVAW-FQEVSTJZSA-N 498.617 7.613 50 10 JKGE Cc1c(F)ccc(CO[C@@]2(CBr)CCCN(C(=O)OC(C)(C)C)C2)c1Cl 2339294877 DPNWYBCEXJJLRE-LJQANCHMSA-N 450.776 5.469 50 10 JKGE COc1c(Br)cc(C)c([C@@H](Cl)c2coc(Br)c2)c1Br 2339640037 UAKSOOPDEAXAAY-LBPRGKRZSA-N 473.386 6.212 50 10 JKGE Cc1cc(Br)c(F)c(Br)c1[C@@H](Br)C12CC(C1)[C@@H](C)O2 2339683364 CEOOBSDIPVOQDQ-MJHGYKOKSA-N 456.975 5.663 50 10 JKGE Fc1cccc([C@@H](CCl)Cc2ccc(I)c(Br)c2)c1 2349857054 WQEPMVYUXQTTAT-GFCCVEGCSA-N 453.520 5.758 50 10 JKGE CC1(C)[C@H]2CO[C@]1([C@@H](Br)c1c(Br)cc(Cl)c(Cl)c1Cl)C2 2359853076 VINCFJMGDFMZHU-UHYRQXHGSA-N 463.424 6.660 50 10 JKGE CSc1ccc([C@@H](Br)c2c(F)cc(Cl)c(Br)c2Cl)cc1 2360423401 MEXXUDQTBJEFGO-GFCCVEGCSA-N 459.005 7.101 50 10 JKGE Clc1ccc(C[C@H](CBr)Cc2ccc(Cl)c(I)c2)cc1 2362376385 UIVJYXLBXJWASX-ZDUSSCGKSA-N 484.002 6.394 50 10 JKGE Cc1c([C@@H](Br)c2cc3sc(Br)cc3s2)ccc(Cl)c1Cl 2364441456 UCRJSWYMPQQRQH-CYBMUJFWSA-N 471.066 7.825 50 10 JKGE COc1c(Br)cc(C)c([C@H](Br)C2CC(C(C)C)C2)c1Br 2365193167 ZEAIWJCMCUVJRK-QIMFLAQGSA-N 469.055 6.647 50 10 JKGE Clc1ccc([C@@H](Br)Cc2nc3ccccc3s2)c(I)c1 2365559455 TUYLMNCPVMPJBR-NSHDSACASA-N 478.580 6.233 50 10 JKGE Cc1cc(Br)c([C@H](Br)C23CC(C[C@H](C)O2)C3)c(C)c1Br 2368040439 UGBHOLNGSPEUCW-HVTJSPFTSA-N 467.039 6.222 50 10 JKGE N#C/C(=C/c1ccccc1OC(=O)c1cccc2ccccc12)C(=O)Nc1ccccc1C(F)(F)F 2807602 OONVAIXCJLJHNY-SILNSSARSA-N 486.449 6.623 50 10 JKGE N#C/C(=C\c1ccc(OCc2ccccc2)c(OCc2ccccc2)c1)c1nnc2n1CCCCC2 9335181 JDVGUNBXMMVELI-NLRVBDNBSA-N 476.580 6.227 50 10 JKGE N#C/C(=C(/Nc1cccc(Cl)c1)SCc1cccc(F)c1)S(=O)(=O)c1ccccc1 20325639 CSAFKMRRNKTYTM-QURGRASLSA-N 458.967 5.991 50 10 JKGE COc1ccccc1/C(C#N)=C\c1ccc(OC(=O)COc2ccc(Cl)cc2Cl)cc1 31900534 PFQLMAJQOFHFFN-ATVHPVEESA-N 454.309 6.051 50 10 JKGE CCOc1cc(/C=C(/C#N)c2nn(-c3ccccc3)c(N)c2C#N)ccc1OCc1ccccc1F 33403627 RDRZXDXDRAMCDD-STZFKDTASA-N 479.515 5.507 50 10 JKGE Cc1cccn2c(=O)c(/C=C(\C#N)c3nc4ccccc4n3C)c(Oc3ccccc3Cl)nc12 33583992 ANOYOPHZYBJJMS-SAPNQHFASA-N 467.916 5.400 50 10 JKGE Cc1cc(/C=C(/C#N)c2nc3ccccc3s2)c(C)n1-c1ccc(I)cc1 33628797 NKQDKOPALJVGDG-ATVHPVEESA-N 481.362 6.373 50 10 JKGE N#C/C(=C/C1=C(N2CCOCC2)/C(=C\c2ccccc2)CC1)C(=O)Nc1ccc(SC(F)F)cc1 35238103 QMLDRRRBFZBFHZ-DOQLLVDGSA-N 493.579 5.853 50 10 JKGE CCCCOc1cccc(C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@@H]3c2ccc(C)cc2)c1 38649264 VFCVEAGJLUGIKX-AREMUKBSSA-N 454.526 5.611 50 10 JKGE CCCCOc1ccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)Cc4ccccc4)ccc32)cc1OC 38660207 IDVGSUSECCJDFR-NDEPHWFRSA-N 484.552 5.240 50 10 JKGE Cc1ccc(OCC(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@H]3c2cccc(OCCC(C)C)c2)cc1 38684638 VLHSIRRUETYBEW-LJAQVGFWSA-N 498.579 5.623 50 10 JKGE CCCCC1CCC(C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@@H]3c2ccc(CC)cc2)CC1 38700461 UFAVLPDJSVJHEM-YJDKGBRESA-N 458.602 6.369 50 10 JKGE Cc1c(C(=O)Nc2ccc(Cl)cc2Cl)oc2c1/C(=N/NC(=O)c1ccccc1Cl)CCC2 40812575 DGNKBCFSNGWUJG-MTDXEUNCSA-N 490.774 6.271 50 10 JKGE COc1cc(/C=N/NC(=O)COc2cccc(C)c2C)ccc1OCc1ccccc1Cl 40888507 VEQZEUVONNRMTA-MZJWZYIUSA-N 452.938 5.074 50 10 JKGE O=C(COc1cccc2ccccc12)N/N=C/c1cc(Br)ccc1OCc1ccccc1 40912359 SXKOIYGFNGHDPL-LQKURTRISA-N 489.369 5.710 50 10 JKGE COc1cc(/C=N\NC(=O)CC[C@@H](O)c2ccccc2)cc(Cl)c1OCc1cccc(C)c1 58889875 LFYIPIRXANEYAE-GXZQEHIMSA-N 466.965 5.200 50 10 JKGE CCOc1ccc([C@H](O)CCC(=O)N/N=C\c2ccc(OCc3ccc(Cl)cc3)c(OC)c2)cc1 58893982 KMDNTLDUZDFEHN-WRIMGEDOSA-N 496.991 5.290 50 10 JKGE Cc1ccc(NC(=O)/C(C#N)=C/c2ccc(-c3ccc([N+](=O)[O-])cc3Br)o2)cc1 59432891 SNMTYEMBCWTKRY-GXDHUFHOSA-N 452.264 5.471 50 10 JKGE CCc1ccc(-c2csc(/C(C#N)=C\Nc3ccc(I)cc3)n2)cc1 100159735 POTMVXGENSWGRJ-VBKFSLOCSA-N 457.340 5.954 50 10 JKGE CCOc1ccc(N2C(=O)[C@@H](Cc3ccccc3C)S/C2=C(/C#N)C(=O)NCc2ccccc2)cc1 101241180 VLWJQOLLLRPPJU-SJCFVWOQSA-N 497.620 5.136 50 10 JKGE Fc1cccc(Cl)c1[C@@H](Br)c1cc(Br)ccc1Br 109844647 XNIYBGXZGQWUFD-ZDUSSCGKSA-N 457.362 6.488 50 10 JKGE Cc1cc(Br)c([C@H](Cl)c2ccc(Br)cc2Cl)cc1Br 128616041 VQKSFSCODVMCSR-CQSZACIVSA-N 487.844 7.264 50 10 JKGE Brc1ccc([C@H](CI)OCc2cccc(Br)c2)cc1 162541873 JHPUEIGKIQEZPA-HNNXBMFYSA-N 495.980 5.905 50 10 JKGE CCCCCCCCCOc1ccc(/C=N\NC(=O)Cc2ccccc2)cc1Br 169900883 PVDITLZHHZBHNB-XHPQRKPJSA-N 459.428 6.271 50 10 JKGE Cc1ccccc1P(c1ccccc1C)[C@@H](C)C1=C(P(C(C)(C)C)C(C)(C)C)C=CC1 213269028 JLQKRPYFKBPVSY-QHCPKHFHSA-N 450.587 8.418 50 10 JKGE Clc1sc([C@H](Br)c2ccc(I)cc2)cc1Br 227849484 YNXJYXWGEDJCGA-SNVBAGLBSA-N 492.401 6.253 50 10 JKGE CCCOc1ccc([C@@H](Br)c2ccc(Br)cc2C)cc1Br 229010024 JIMBTXSSYVNNMK-QGZVFWFLSA-N 477.034 6.793 50 10 JKGE Cc1cc(F)ccc1COc1c(Br)cc(CBr)cc1Br 235754700 RFBMENSUAUNKQH-UHFFFAOYSA-N 466.970 6.133 50 10 JKGE Cc1ccc([C@@H](Br)c2cc(I)ccc2Br)cc1C 235922498 FRQIDBREWKNILY-OAHLLOKOSA-N 479.981 6.155 50 10 JKGE Clc1ccc([C@H](Cl)c2cc(Br)ccc2I)c(Cl)c1 236034313 AQPUHQAIOKIIRJ-ZDUSSCGKSA-N 476.366 6.689 50 10 JKGE Clc1ccc([C@H](Br)Cc2cccc(Br)c2)c(Br)c1 236065669 XVVACBUAXBRLJX-CYBMUJFWSA-N 453.399 6.544 50 10 JKGE O=[N+]([O-])c1ccccc1C[C@@H](Br)c1ccc(F)cc1I 236241410 MGIHETKNMLBOGQ-GFCCVEGCSA-N 450.045 5.017 50 10 JKGE CCCOc1ccc(-c2nn(-c3ccccc3)cc2C=NNC(=O)Cc2cccc3ccccc23)cc1 254475892 WLLQYXWJJNNZTR-UHFFFAOYSA-N 488.591 6.174 50 10 JKGE FC(F)(F)c1ccc(C[C@H](Br)c2sccc2I)cc1 311477596 AHTQTJONJFXYNA-JTQLQIEISA-N 461.084 6.050 50 10 JKGE CC(C)(C)[Si](C)(C)OCCc1ccc([C@@H]2CNc3ccccc3N2Cc2ccccc2)cc1 616686699 PHTBVIUMNJHCNB-NDEPHWFRSA-N 458.722 7.424 50 10 JKGE C[C@H]1[C@H](n2c(CCCl)nc3ccc(F)c(Br)c32)CCN1Cc1ccccc1 701617182 IFDHLKLYXSYXFV-KBXCAEBGSA-N 450.783 5.555 50 10 JKGE Brc1csc([C@H](Br)c2cnn(-c3ccccc3)c2)c1Br 705448055 ONSIUGLYVODHMD-GFCCVEGCSA-N 477.019 5.943 50 10 JKGE CCC(C)(C)c1ccc([C@@H](Br)c2scc(Br)c2Br)cc1 705467013 WYAGVIAIZPJLAK-CYBMUJFWSA-N 481.091 7.445 50 10 JKGE C[C@H](Cl)c1nc2cncc(Cl)c2n1CC1(N(Cc2ccccc2)Cc2ccccc2)COC1 705612842 WVMQMQBOAIXEMU-IBGZPJMESA-N 481.427 5.856 50 10 JKGE Cc1cc2nc([C@H](C)Cl)n(CC3(N(Cc4ccccc4)Cc4ccccc4)COC3)c2cc1C 705864671 KYWDZHBSTQMCQY-QHCPKHFHSA-N 474.048 6.424 50 10 JKGE C[C@H]1Cc2cc(Br)cc([C@H](Cl)c3cccc(I)c3)c2O1 720126086 SEXBOBHTMFKQSN-BJOHPYRUSA-N 463.540 5.705 50 10 JKGE COc1ccc(F)cc1[C@@H](Br)c1ccc(I)c(Br)c1 721615793 SOTSVUHSUYOULW-AWEZNQCLSA-N 499.943 5.686 50 10 JKGE NCc1ccc(NC(=O)[C@H](c2cccs2)N(C(=O)CCl)c2cccc(C(F)(F)F)c2)cc1 725238529 ULIQAZNTWIBBBY-FQEVSTJZSA-N 481.927 5.177 50 10 JKGE Cc1cccc(C=NNC(=O)COc2ccc3cc(Br)ccc3c2Br)c1 1084049849 XXLOQAQXPLIBFL-UHFFFAOYSA-N 476.168 5.202 50 10 JKGE CCOc1ccc([C@@H](O)CCC(=O)NN=Cc2ccc(OCc3ccc(F)cc3)c(OCC)c2)cc1 1084236443 LRAGGMLWAOTKFX-VWLOTQADSA-N 494.563 5.166 50 10 JKGE O=C(NN=Cc1ccc(OCc2cccc3ccccc23)cc1)c1cccc(Br)c1 1084583875 RATDJCRBVZCJOW-UHFFFAOYSA-N 459.343 5.945 50 10 JKGE FC(F)(F)c1ccc(-n2nc(-c3cccc(I)c3)cc2CCl)cc1 1614820607 DDEOQGWOTWCMQJ-UHFFFAOYSA-N 462.640 5.902 50 10 JKGE Cc1ccc2c(c1)C(=NNC(=O)c1cc(-c3ccc(Br)cc3)nc3ccccc13)C(=O)N2C 1772720021 CSJVFTRZOQJABE-UHFFFAOYSA-N 499.368 5.083 50 10 JKGE CCCOc1cccc([C@@H]2C(C#N)=C(N)Oc3c2c(C(F)(F)F)nn3-c2ccc(C)cc2)c1 1865692950 GSLXNKRXHDHKJC-LJQANCHMSA-N 454.452 5.207 50 10 JKGE CCCCCOc1ccc([C@@H]2C(C#N)=C(N)Oc3c2c(CCC)nn3-c2ccc(C)cc2)cc1OC 1865694758 AXEJHDSVWSRXIP-AREMUKBSSA-N 486.616 5.929 50 10 JKGE COc1cccc([C@@H]2C(C#N)=C(N)Oc3c2c(C(F)(F)F)nn3-c2cccc3ccccc23)c1OC 1865700653 AICFKXZZHLRENG-HXUWFJFHSA-N 492.457 5.280 50 10 JKGE CCCc1nn(Cc2ccc(F)cc2)c2c1[C@@H](c1ccc(C(F)(F)F)cc1)C(C#N)=C(N)O2 1865711216 SKPWLLCXHNSATQ-FQEVSTJZSA-N 456.443 5.260 50 10 JKGE C[C@H](NC(=O)COc1ccc(-c2ccc(C(C)(C)C)cc2)cc1)C(=O)Nc1ccc(SC#N)cc1 1867026677 MSVZZCWZUVNJDV-IBGZPJMESA-N 487.625 5.746 50 10 JKGE Cc1ccccc1-c1nc(Nc2ccc(SC#N)cc2)cc(N2CCc3nc[nH]c3[C@H]2C)n1 1868301121 LBTDPIVXZIRZJC-QGZVFWFLSA-N 453.575 5.616 50 10 JKGE C[C@H]1c2[nH]cnc2CCN1c1cc(Nc2ccc(SC#N)cc2)nc(-c2ccc(F)cc2)n1 1868455810 CJGQSXQTSLNGAJ-HNNXBMFYSA-N 457.538 5.446 50 10 JKGE CC[C@@H](C)N1C(=O)c2ccc(/C(O)=C(\C#N)c3nc(-c4cc(Cl)ccc4OC)cs3)cc2C1=O 1872758619 IQUBYVPENNZPMC-AIZVWQMJSA-N 493.972 5.816 50 10 JKGE COc1ccc(C(C)(C)C)cc1-c1csc(/C(C#N)=C/c2cc(Br)ccc2O)n1 1872793101 IHOKRDTUNGQSBW-OQLLNIDSSA-N 469.404 6.648 50 10 JKGE O=C1c2ccccc2C(=O)N1C[C@H](Cl)CCc1cccc(Br)c1Br 1905342912 MAOICFPPWJBUTF-GFCCVEGCSA-N 471.576 5.048 50 10 JKGE C[C@H]1C[C@H](n2c(CCCl)nc3c(Br)cc(F)cc32)CN1Cc1ccccc1 1912653600 MTLMZKTYVYIEEA-YOEHRIQHSA-N 450.783 5.555 50 10 JKGE Brc1ccc(C[C@H]2CCCCCCCC[C@H]2Br)c(Br)c1 1913418025 ZMIINTLEKBAUKZ-CZUORRHYSA-N 467.083 7.268 50 10 JKGE C[C@H](c1cccs1)N(Cc1ccccc1)c1cc(Br)ccc1CBr 1914895425 RDSGXOFHHDCABX-OAHLLOKOSA-N 465.254 7.173 50 10 JKGE Cc1c(Br)sc([C@@H](Cl)c2c(F)cc(Br)cc2F)c1Br 1922896602 GPUQJKRXMUHHQQ-JTQLQIEISA-N 495.408 6.950 50 10 JKGE Cc1ccc(Br)cc1[C@@H](Cl)c1sc(Br)cc1Br 1922944522 ZKNCUYCQRSTZJW-LLVKDONJSA-N 459.428 6.672 50 10 JKGE COc1ccc([C@H](Br)c2sc(Br)cc2Br)cc1OC 1922953401 CMONZBUUJKFWRU-LBPRGKRZSA-N 471.008 5.775 50 10 JKGE CC12C[C@@H]3C[C@H](C1)CC([C@H](Br)c1sc(Br)cc1Br)(C3)C2 1922953453 DECVSAZHUFXHEL-LBEWKSOZSA-N 483.107 7.316 50 10 JKGE Cc1cscc1[C@@H](Br)c1c(Br)sc(Br)c1Cl 1923070460 AVFDGNDBTLORQH-SSDOTTSWSA-N 465.457 6.781 50 10 JKGE Cc1nscc1[C@@H](Cl)c1c(Br)sc(Br)c1Br 1924572578 ZZMLWTDWXRQAKO-SSDOTTSWSA-N 466.445 6.129 50 10 JKGE Cc1cc(Cl)ccc1[C@@H](Cl)c1c(Br)sc(Br)c1Br 1924591334 PXWXAVWLXOONER-SNVBAGLBSA-N 493.873 7.326 50 10 JKGE CC(C)(C)OC(=O)NC[C@@H]1CCCC2(CCC2)[C@@]12CCC[C@@H](CI)O2 1924802263 YOMNCMBYGBWTPR-TWOQFEAHSA-N 463.400 5.224 50 10 JKGE Cc1c(Br)sc([C@@H](Br)[C@@](C)(F)C(C)(C)F)c1Br 2003235574 ZSHSWRUSFWDIGE-LDYMZIIASA-N 455.000 6.494 50 10 JKGE FC(F)(F)C1([C@@H](Br)c2cc(Br)ccc2Br)CCC1 2027669299 UYNFEMSXJACXIJ-JTQLQIEISA-N 450.918 6.380 50 10 JKGE Brc1cc(Br)c([C@H](Br)[C@H]2CC3(CCCC3)CO2)s1 2047512803 CIAPKTKCPGLQND-MWLCHTKSSA-N 459.041 6.058 50 10 JKGE CN1C(=CP(=Nc2ccc([N+](=O)[O-])cc2)(c2ccccc2)c2ccccc2)C(C)(C)c2ccccc21 2053511200 JJGRBCBYEOAYOO-UHFFFAOYSA-N 493.547 7.348 50 10 JKGE Cc1[nH]c2ccccc2c1C(=O)C(C#N)=Cc1ccc(Oc2ccc(C(C)(C)C)cc2)c([N+](=O)[O-])c1 2053513490 PXIPRDQVLOCEOQ-UHFFFAOYSA-N 479.536 7.264 50 10 JKGE Cc1cc(Br)c(C)c([C@@H](Br)c2ccc(Cl)s2)c1Br 2081070884 LKIBCLACXBVMKD-ZDUSSCGKSA-N 473.455 7.028 50 10 JKGE Cc1sc(Br)c([C@@H](Cl)c2cccc(F)c2I)c1C 2082879172 RAOFCQKBPFSCOF-NSHDSACASA-N 459.549 6.199 50 10 JKGE Cc1c(Br)cccc1[C@@H](Br)c1ccc(Br)cc1Br 2083338696 OEZVQILCNKTWNE-CQSZACIVSA-N 497.850 6.767 50 10 JKGE Clc1ccc(COc2ccc(Br)c(CBr)c2)c(Br)c1 2088512539 OYUQNJFTLSBWQF-UHFFFAOYSA-N 469.398 6.339 50 10 JKGE CC1(C)CCN(Cc2c(Br)cccc2Br)C[C@H]1CBr 2094093299 PBQIDCSFOGMHTI-LLVKDONJSA-N 454.044 5.455 50 10 JKGE C[C@@H]1CCC[C@](CBr)(Cc2c(Br)cccc2Br)CC1 2100846553 XLGZNLMOIJQNLU-MLGOLLRUSA-N 453.056 6.736 50 10 JKGE Cc1c([C@@H](Br)c2ccc(F)c(Br)c2F)nn(C)c1Br 2111931549 DFKDESNSUWFLIP-QMMMGPOBSA-N 458.926 5.016 50 10 JKGE Clc1sc([C@@H](Br)c2cc(Br)c3c(c2)CCO3)cc1Br 2115931882 USDVLTPIHZIXBR-NSHDSACASA-N 487.438 6.346 50 10 JKGE Cn1cc([C@H](Br)c2csc3c(Br)cccc23)c(Br)n1 2116555557 UDRXVFMTRNAQRS-NSHDSACASA-N 465.008 5.644 50 10 JKGE C[C@H](CCCCCI)NC(=O)c1ccc(Cl)c(Br)c1 2117895685 UMGOLXLSLOSAGM-SNVBAGLBSA-N 458.565 5.216 50 10 JKGE FC1(F)CCC(CBr)(Cc2c(Br)cccc2Br)CC1 2121104848 LDTZXYDRJMVLBG-UHFFFAOYSA-N 460.982 6.345 50 10 JKGE CC1(C)C[C@](C)(CBr)CN1Cc1cc(Cl)ccc1I 2134831110 NPMWZNZEWNUSGQ-OAHLLOKOSA-N 456.593 5.330 50 10 JKGE Cc1cc(F)c(Cl)cc1[C@H](Cl)c1cc(I)ccc1Br 2137052033 RDVLDNRNOMPBSH-AWEZNQCLSA-N 473.938 6.483 50 10 JKGE COc1cc(F)c([C@@H](Br)c2cc(Br)oc2C)cc1Br 2138157685 AMRYEYAQMHZSQF-ZDUSSCGKSA-N 456.931 5.745 50 10 JKGE CCCCc1ccc([C@H](Br)c2c(Br)cccc2Br)cc1 2150493725 MXKJUAYBZVVVJM-KRWDZBQOSA-N 461.035 7.039 50 10 JKGE COc1ccc(Br)cc1[C@H](Br)c1cc(Br)c(Cl)cc1F 2154123986 SBAFTXRHJLXVAW-CQSZACIVSA-N 487.388 6.497 50 10 JKGE Fc1c([C@@H](Br)c2sc(Cl)cc2Br)cccc1C(F)(F)F 2154474802 CSSOKOHUTSQUIH-SECBINFHSA-N 452.492 6.806 50 10 JKGE Cc1csc([C@H](Br)c2cc(Br)c3c(c2)C[C@H](C)O3)c1Br 2157027343 YFHRGYBWQBCBIL-ISVAXAHUSA-N 481.047 6.389 50 10 JKGE Cc1cc(Br)c([C@H](Br)c2cc3c(ncn3C)s2)cc1Br 2175241986 YHIUXULUHJBHIG-ZDUSSCGKSA-N 479.035 5.953 50 10 JKGE COc1ccc2cc([C@@H](Br)c3cc(I)sn3)ccc2c1 2176539720 RRFZDEMDQMHDRE-OAHLLOKOSA-N 460.134 5.394 50 10 JKGE Cc1cc(Br)c(CBr)c(N(C)[C@@H](C)c2nscc2Br)c1 2186579251 GJXRSIVWRPACQA-VIFPVBQESA-N 483.067 6.069 50 10 JKGE Cc1cc(Br)c(C)c([C@H](Br)[C@H]2C[C@@H]2C2CCCC2)c1Br 2201067804 BFZNVXBFDPWIGQ-IIYDPXPESA-N 465.067 7.091 50 10 JKGE COc1ccc([C@@H](Br)c2ccc(Br)cc2Cl)c(Cl)c1Cl 2203433469 PHCYIVYPXNRDOH-LBPRGKRZSA-N 459.392 6.902 50 10 JKGE CC(C)(C)C1CCC([C@H](Br)c2ccc(Br)cc2Br)CC1 2203684101 GDBUSAPZNGRTSX-PPUFBPAQSA-N 467.083 7.500 50 10 JKGE Cc1c(Br)ccc([C@@H](Br)[C@@H]2CC(C)(C)OC2(C)C)c1Br 2203694344 SKNZDFPWJHIBLX-SMDDNHRTSA-N 469.055 6.550 50 10 JKGE COc1cc(F)c(F)cc1[C@@H](Br)c1cc(Cl)ccc1I 2204495477 DXNOINWGFMWJTN-AWEZNQCLSA-N 473.482 5.716 50 10 JKGE Fc1cc(Br)cc(CBr)c1OC[C@H]1CC1(Br)Br 2213086425 XZCOBVWKUCCPTE-SSDOTTSWSA-N 495.806 5.368 50 10 JKGE Cc1cc(Br)c([C@@H](Cl)c2ccsc2Br)c(C)c1Br 2220151126 FKWVUVKCGIMSKF-LBPRGKRZSA-N 473.455 6.981 50 10 JKGE C[C@H]1C[C@H](n2c(CCl)nc3cc(Br)c(Br)cc32)CN1Cc1ccccc1 2225704913 QXCWUMZCOOHPGX-ZFWWWQNUSA-N 497.662 6.136 50 10 JKGE CC1(C)CCC[C@@H]([C@@H](Br)c2cc(Br)c(Br)cc2F)O1 2226862323 CVFCBWIVUDEISU-STQMWFEESA-N 458.991 6.134 50 10 JKGE CC1(C)CCC[C@@](CBr)(Cc2cc(Br)ccc2Br)O1 2226868626 XIWCOOUSIJPQEA-HNNXBMFYSA-N 455.028 5.867 50 10 JKGE CCCC[C@H](C)CC[C@H](Br)c1c(Br)cc(Cl)c(Cl)c1Cl 2232518153 ABPMLKZESCTRAO-UWVGGRQHSA-N 465.484 8.452 50 10 JKGE C[C@@]1([C@H](Br)c2cc(Br)c(Br)cc2F)CCCCC1(F)F 2233973511 ARFDHPKPUKVRRL-OLZOCXBDSA-N 478.972 7.002 50 10 JKGE Fc1cc(Br)ccc1C[C@H](Cl)c1cc(Br)c(Br)cc1F 2233988177 LKBRCCOGOPHYKG-LBPRGKRZSA-N 489.379 6.775 50 10 JKGE ClCc1nc2cc(Br)c(Br)cc2n1CCC1SCCS1 2234076158 VIURBJCGLNGKTM-UHFFFAOYSA-N 456.656 5.496 50 10 JKGE CCn1ncc(Br)c1[C@H](Cl)c1c(Br)cc(C)c(Br)c1C 2235614837 LSZYBKJXDNNTNK-CYBMUJFWSA-N 485.445 6.136 50 10 JKGE CCc1cc([C@H](Cl)c2cc(Br)c(Br)s2)sc1Br 2248052409 ARZHIFPZTDXGFG-VIFPVBQESA-N 479.484 6.988 50 10 JKGE Cc1cc([C@@H](Br)c2cccc(Cl)c2Br)sc1Br 2248095686 FQLBIVCFGNXLCT-NSHDSACASA-N 459.428 6.719 50 10 JKGE COc1sc([C@@H](Br)c2cc(Br)c(F)cc2Cl)cc1Br 2270434077 JJTLURLVGQWBOC-NSHDSACASA-N 493.417 6.559 50 10 JKGE C[C@H](Br)CN(C(=O)c1c(Br)cccc1Br)C(C)(C)C 2272459384 HDLCNPBTSDKTTG-VIFPVBQESA-N 456.016 5.236 50 10 JKGE FC1(F)[C@@H]2CC[C@H]([C@@H](Br)Cc3cc(Br)cc(Br)c3)[C@@H]21 2277954844 GQQBBZWOTNRWGH-NDBYEHHHSA-N 458.966 5.809 50 10 JKGE CC(C)(C1CCCC1)[C@@H](Br)Cc1cc(Br)cc(Br)c1 2277962431 HNYSNMOUHGOTNQ-HNNXBMFYSA-N 453.056 6.734 50 10 JKGE Cc1ccc(NC(=O)C(C#N)=C2S[C@H](Cc3ccccc3)C(=O)N2c2ccc(F)cc2)cc1 2293038915 HNVTZMXHPJUIBI-HSZRJFAPSA-N 457.530 5.199 50 10 JKGE FC(F)(F)c1ccc([C@@H](Br)c2cc3sc(Br)cc3s2)s1 2295501411 RLQPEKHTXNEQDP-LLVKDONJSA-N 462.175 7.290 50 10 JKGE CCCOc1ccc(-c2nn(-c3ccccc3)cc2C=C(C#N)C(=O)N[C@@H](C)c2ccccc2)c(C)c1 2296706101 XKGMULGJXTTXRV-QHCPKHFHSA-N 490.607 6.421 50 10 JKGE CCCCOC(=O)c1c(NC(=O)C(C#N)=Cc2ccc([N+](=O)[O-])cc2)sc2c1CCCC2 2296819133 ZHJQLHDICFUEMG-UHFFFAOYSA-N 453.520 5.038 50 10 JKGE Brc1ccc(OCc2ccccc2)c([C@H](Br)[C@H]2CC[C@@H]3C[C@@H]3C2)c1 2299504842 QNCRNSQIMYSDNW-KYFSNAEOSA-N 450.214 6.900 50 10 JKGE CC[C@]1([C@H](Br)c2ccc(OCc3ccccc3)cc2Br)CCCO1 2299508271 IYVNZDFUGCOZPU-WOJBJXKFSA-N 454.202 6.423 50 10 JKGE Brc1ccc(OCc2ccccc2)c([C@H](Br)C[C@]23CCC[C@@H]2C3)c1 2299526470 YBBZUVZONTZUKG-OZOXKJRCSA-N 450.214 7.044 50 10 JKGE FC1(F)CC[C@@H]2[C@H]([C@@H](Br)c3sc(Cl)cc3I)[C@@H]21 2300954531 ZBHWZUQJZDTTPY-CNOPELTASA-N 453.517 5.733 50 10 JKGE CC(C)(C)OC(=O)NC[C@](C)(CI)OCc1cc(F)c(Cl)cc1Cl 2306242236 VHCRWEYATXNUPB-INIZCTEOSA-N 492.156 5.368 50 10 JKGE FC1(F)[C@H]2C[C@H]([C@@H](Br)c3cc(Br)c(Br)s3)CC[C@H]21 2309100689 LYUUQMLQMPELOP-QGOVLLJGSA-N 464.995 6.391 50 10 JKGE FC(F)([C@@H]1CCOC1)[C@H](Br)c1cc(Br)ccc1OCc1ccccc1 2314439838 KLCNFLKQSJPOQU-RDTXWAMCSA-N 476.155 6.136 50 10 JKGE CCCCOc1ccc(C=C(C#N)C(=O)Nc2sc3c(c2C(=O)OCC)CCCC3)cc1 2314735643 WZRDWNQAKGAWEB-UHFFFAOYSA-N 452.576 5.528 50 10 JKGE COc1c(Br)cc(C)c([C@@H](Br)[C@H](C)C(F)F)c1Br 2317410679 MSSJBEFHZWMQTR-RCOVLWMOSA-N 450.943 5.866 50 10 JKGE Clc1c(Br)sc(Br)c1[C@H](Br)C[C@@H]1CC[C@H]1C1CC1 2319585220 CENLCRNXZBHVNM-XHNCKOQMSA-N 477.487 7.189 50 10 JKGE COc1ccc(C=C(C(=O)NNC(=O)c2ccc(-c3ccc(C)c(C)c3)nc2C)c2ccccc2)cc1 2321106664 NYLNHNWFADTQKB-UHFFFAOYSA-N 491.591 5.684 50 10 JKGE COc1c(Br)cc(Br)cc1C=C(C#N)c1nc2ccccc2s1 2323839994 XPCMDLSUGOVLRB-UHFFFAOYSA-N 450.155 5.894 50 10 JKGE CC[C@H](NC(=O)C(C#N)=CNc1ccc(I)cc1C)c1ccc2c(c1)CCCC2 2325081458 UWOIERBZVMBRSN-QFIPXVFZSA-N 499.396 5.565 50 10 JKGE COc1cc([N+](=O)[O-])ccc1NC(=O)C(C#N)=CNc1cc(C(F)(F)F)cc(C(F)(F)F)c1 2325224600 RTYFEYRBXXGCJR-UHFFFAOYSA-N 474.317 5.099 50 10 JKGE CC(C)(C)OC(=O)N1CCC(NC=C(C#N)C(=O)Nc2ccccc2Sc2ccccc2)CC1 2325339799 NOGJLCXRQARMEC-UHFFFAOYSA-N 478.618 5.173 50 10 JKGE COc1ccc(C=C(C#N)c2nc(O)c3ccccc3n2)cc1OCc1ccc(Cl)c(Cl)c1 2331030145 ZURLVIZLOWKYFD-UHFFFAOYSA-N 478.335 6.294 50 10 JKGE CCCCCCOc1ccc(C(O)=C(C#N)c2nc(-c3ccc(Br)cc3)cs2)cc1 2331259701 PNRZBMPOJNKBTM-UHFFFAOYSA-N 483.431 7.482 50 10 JKGE N#CC(=C(O)c1ccccc1Br)c1nc(-c2ccc(Br)cc2)cs1 2331259764 YLFBUZOJBRSMOT-UHFFFAOYSA-N 462.166 6.285 50 10 JKGE CC[C@H](C)[C@H](C(O)=C(C#N)c1nc(-c2ccc(OC)c(C)c2)cs1)N1C(=O)c2ccccc2C1=O 2331260234 QVJMXVQHKOLIRD-NPMXOYFQSA-N 487.581 5.631 50 10 JKGE Fc1cc(Cl)c(Br)c(Cl)c1[C@H](Br)CC(F)(F)C(F)F 2335288389 GQQRMDIEVINCNF-GSVOUGTGSA-N 450.854 6.622 50 10 JKGE CCOc1ccccc1[C@@H](Br)c1ccc(OCc2ccccc2)cc1Br 2336049638 DYLQCTWJRRTVGC-QFIPXVFZSA-N 476.208 6.911 50 10 JKGE FC1(F)CCCCC[C@@H]1[C@H](Br)c1ccc(OCc2ccccc2)cc1Br 2336079535 UTQKQKWDXAVXGE-UYAOXDASSA-N 488.210 7.680 50 10 JKGE FC(F)(F)C1([C@H](Br)c2cc(Br)ccc2OCc2ccccc2)CCCC1 2336085827 HIFRBBLYTTYLAL-GOSISDBHSA-N 492.173 7.587 50 10 JKGE Cn1nc([C@H](Cl)c2c(Cl)cc(Br)c(F)c2Br)cc1Cl 2337086379 LDFUOIJOBSYRAR-JTQLQIEISA-N 451.348 5.719 50 10 JKGE C[C@@H]1COCC[C@H]1[C@H](Br)c1c(Cl)cc(Br)c(F)c1Br 2337091789 HFFJDTPMWFEYMN-AMXGMDGSSA-N 479.409 6.113 50 10 JKGE Cc1c([C@@H](Cl)c2ccc(OCc3ccccc3)cc2Br)ccc(Cl)c1Cl 2339051962 FPOCEOFXVXQDDV-OAQYLSRUSA-N 470.621 7.972 50 10 JKGE Clc1ccc(C[C@@H]2C[C@@H]3CCCC[C@H]3[C@@H]2Br)c(I)c1 2341026887 FMTNWPUCBWWIPS-PNEXNCLXSA-N 453.589 6.077 50 10 JKGE C[C@@H](Br)C[C@H]1CCCCN1Cc1ccc(Cl)cc1I 2341059568 MFIMETLMYYKZDY-BXUZGUMPSA-N 456.593 5.473 50 10 JKGE O=C(c1csc(Br)c1Br)N1CC[C@@H](Cl)C[C@@H]1C(F)(F)F 2361444167 KDVKUKWXGUKBKN-IYSWYEEDSA-N 455.521 5.047 50 10 JKGE Fc1c(Br)cc(Cl)c([C@H](Br)[C@H]2CCCC3(CC3)C2)c1Br 2362227062 ZOJBKFAGGMUQLB-QPUJVOFHSA-N 489.448 7.411 50 10 JKGE Cc1cc([C@@H](Br)c2cc3c(cc2Br)OCCC3)sc1Br 2369615627 KTSBBFNCWOJRIW-AWEZNQCLSA-N 481.047 6.391 50 10 JKGE Cc1scc(Cn2c(CCl)nc3cc(I)ccc32)c1Br 2369843581 RZGRHLKVCYGZMV-UHFFFAOYSA-N 481.584 5.560 50 10 JKGE Clc1ccc(I)cc1CN1C[C@@H](Br)C2(CCCCC2)C1 2380527225 KKXPWQLQKFEDHP-OAHLLOKOSA-N 468.604 5.474 50 10 JKGE Cc1ccc(N2C(=O)[C@@H](Cc3cccc(C)c3)S/C2=C(\C#N)C(=O)Nc2ccccc2)cc1 16739824 SJXCSUOVXKLHCW-GUNDDFSMSA-N 453.567 5.368 50 10 JKGE CCN(CC)c1ccc(C=NNC(=O)CSc2nnc(-c3ccc(C)cc3)n2-c2ccccc2)cc1 17201300 KHABQXHNCAXAOY-UHFFFAOYSA-N 498.656 5.331 50 10 JKGE CC(C)c1ccc(/C=N/NC(=O)CSc2nc(=O)c3c(-c4ccccc4)csc3[nH]2)cc1 19646083 SXRHZSMXPYVTBP-BRJLIKDPSA-N 462.600 5.017 50 10 JKGE O=C(Nc1ccccc1C(=O)N/N=C/c1cccc2ccccc12)c1ccc([N+](=O)[O-])c(Cl)c1 20533961 PAQGJBWYHWRXJZ-JFLMPSFJSA-N 472.888 5.418 50 10 JKGE CCCCOc1ccc(/C=N/NC(=O)c2ccccc2NC(=O)c2ccc([N+](=O)[O-])cc2Cl)cc1 20583525 BCUAZCMHJAFEMB-JVWAILMASA-N 494.935 5.443 50 10 JKGE Cc1ccc(C)c(OCCn2cc(/C=C(/C#N)C(=O)N3CCc4ccccc4C3)c3ccccc32)c1 33916897 UJRJYHZVRAYICR-ITYLOYPMSA-N 475.592 5.829 50 10 JKGE Cc1ccc2c(c1)/C(=N\NC(=O)c1cc(-c3ccc(Br)cc3)nc3ccccc13)C(=O)N2C 38180190 CSJVFTRZOQJABE-RMLRFSFXSA-N 499.368 5.083 50 10 JKGE CCCCCOc1ccc(C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@@H]3c2ccc(Cl)cc2)cc1 38651361 KJBTXVGJPILREN-AREMUKBSSA-N 488.971 6.346 50 10 JKGE N#CC1=C(N)Oc2cc(OC(=O)c3ccc(Cl)cc3Cl)ccc2[C@@H]1c1ccc(F)cc1 38652620 QEHFJMUACVGONK-NRFANRHFSA-N 455.272 5.570 50 10 JKGE CCOc1ccccc1[C@@H]1C(C#N)=C(N)Oc2cc(OC(=O)c3ccc(OC)c(Cl)c3)ccc21 38687478 LVVJPGVECORNEJ-DEOSSOPVSA-N 476.916 5.185 50 10 JKGE N#C/C(=C\c1ccc2noc(-c3ccc(Cl)cc3)c2c1)C(=O)Nc1ccc(OC(F)(F)F)cc1 39884780 WLLVFHYLMRZOHK-LFIBNONCSA-N 483.833 6.592 50 10 JKGE N#C/C(=C\c1ccc(-c2cc(Cl)ccc2Cl)o1)c1nc(-c2ccc([N+](=O)[O-])cc2)cs1 39885078 RUELHKDUUDRASQ-NTEUORMPSA-N 468.321 7.349 50 10 JKGE Nc1c(NNC(=O)C(c2ccccc2)c2ccccc2)ncnc1Nc1cccc(C(F)(F)F)c1 40781950 DJKFVZFJNDISCB-UHFFFAOYSA-N 478.478 5.096 50 10 JKGE CCCCOc1ccc(NC(=O)c2oc3c(c2C)/C(=N/NC(=O)c2ccccc2OC)CCC3)cc1 40813180 FNWOZBKLWWQFDJ-JBASAIQMSA-N 489.572 5.498 50 10 JKGE COc1cc(/C=N/NC(=O)COc2ccc(C(C)(C)CC(C)(C)C)cc2)ccc1OC(C)C 40911465 HFVXNJXPGSNELU-LQKURTRISA-N 454.611 5.725 50 10 JKGE CCOc1ccc(/C=C(\C#N)C(=O)Nc2nc(-c3ccc(Cl)cc3)c(C)s2)cc1OC 40927269 CRPQXYSYRBSQRM-GZTJUZNOSA-N 453.951 5.725 50 10 JKGE N#C/C(=C/c1cc(Br)ccc1OCc1ccc(Cl)cc1)c1nc2ccccc2[nH]1 50568333 BSWMVBROKOEXJG-BOPFTXTBSA-N 464.750 6.622 50 10 JKGE Cc1ccc(-n2nc(C)c(/C=N/NC(=O)COc3ccc(C4CCCCC4)cc3)c2C)cc1C 59166233 DHXVXYNNNOXBIY-STBIYBPSSA-N 458.606 5.683 50 10 JKGE CCCN1CC2=C(OC(N)=C(C#N)[C@@H]2c2ccccc2Cl)/C(=C\c2ccccc2Cl)C1 96592672 GNLYZBQDDKUARK-ZDALTALBSA-N 452.385 5.864 50 10 JKGE Fc1ccc(Br)c(C[C@@H](CBr)Cc2cccc(Br)c2)c1 97184852 YDRODKQFYOXDFT-LBPRGKRZSA-N 464.998 6.147 50 10 JKGE Fc1ccc(C[C@@H](CBr)Cc2ccccc2Br)c(Br)c1 97185859 ORHGXFFHVPMMQO-NSHDSACASA-N 464.998 6.147 50 10 JKGE Cc1c(C(=O)NNC(=O)c2ccc(Cl)cc2Cl)oc2c1/C(=N\Nc1ccccc1)CC(C)(C)C2 101109086 MCBQKVCUEDYDBP-CEUNXORHSA-N 499.398 5.758 50 10 JKGE N#C/C(=C/c1ccc(OCCCOc2ccccc2)cc1)C(=O)Nc1nc2ccccc2s1 102443837 IDDCZKKVNFKGEZ-JZJYNLBNSA-N 455.539 5.690 50 10 JKGE CCOc1ccc(-c2csc(/C(C#N)=C\c3ccc(OCC(=O)c4ccc(F)cc4)cc3)n2)cc1 102938276 BGFMOKSRXPAXDC-JCMHNJIXSA-N 484.552 6.674 50 10 JKGE COc1ccc([C@@H](Cl)c2cc(Br)ccc2Br)cc1Br 109803287 MKKISQCURCUBIJ-CQSZACIVSA-N 469.398 6.311 50 10 JKGE COc1cc(C)c(Br)cc1[C@H](Br)c1ccc(Br)cc1C 115867034 ALKSTTCRPBRSBX-MRXNPFEDSA-N 463.007 6.321 50 10 JKGE Fc1ccc(Br)c([C@@H](Br)c2cc(Cl)c(Br)s2)c1 127578619 BASZMHGVCPINAV-SNVBAGLBSA-N 463.391 6.550 50 10 JKGE COc1cc(Cl)ccc1[C@H](Br)c1cc(Br)c(Br)s1 128205007 NPVMFJIVUPTMBU-NSHDSACASA-N 475.427 6.419 50 10 JKGE CC(C)CCC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3C/C(=N/O)[C@@]4(O)C[C@@H](Cl)CC[C@]4(C)[C@H]3CC[C@@]21C 137793790 AGHYYTBHCAPSGT-HPUXHMCYSA-N 452.123 7.270 50 10 JKGE CCC(CC)N(CCBr)C(=O)c1cc(Br)ccc1Br 161198697 KIOKLKOZDLDFAC-UHFFFAOYSA-N 456.016 5.237 50 10 JKGE CCc1ccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)/C=C\c4ccc(OC)cc4)ccc32)cc1 205652295 HXCUMTZHBFNRDL-NSVNLEFRSA-N 452.510 5.095 50 10 JKGE CCCCCCCOc1ccc(/C=C2\C(=O)N(CCCCCC)C(=O)C(C#N)=C2C)cc1OCC 214245503 OQGWJYKLGOLMJE-CLCOLTQESA-N 480.649 6.607 50 10 JKGE N#C/C(=C/N(c1ccccc1)c1ccc(N)cc1)C(=O)Nc1ccccc1Sc1ccccc1 217243692 SRWTXYDIBRUIBY-MRCUWXFGSA-N 462.578 6.604 50 10 JKGE Cc1cccc(NC(=O)/C(C#N)=C\N2CCN(C(c3ccccc3)c3ccccc3)CC2)c1C 217244224 QHXNNBIZBYLCKP-QLYXXIJNSA-N 450.586 5.057 50 10 JKGE CCCOc1ccc([C@H](Br)c2ccc(Br)c(Cl)c2)cc1Br 229006890 GJGLIVRGPWNDNU-INIZCTEOSA-N 497.452 7.138 50 10 JKGE CC(=NNC(=O)c1ccccc1[N+](=O)[O-])c1cccc(NC(=O)c2ccc(Cl)cc2Cl)c1 252598413 CZZMAJNSBMISRN-UHFFFAOYSA-N 471.300 5.308 50 10 JKGE CCc1ccc(C(C)=NNC(=O)c2cc(-c3ccc(C(C)(C)C)cc3)nc3ccccc23)s1 252627857 SCXJHMLENNCBPT-UHFFFAOYSA-N 455.627 6.977 50 10 JKGE ClCc1cc(Br)ccc1Oc1ccc(Br)cc1Br 300495051 QYLLFLOHWQIBAZ-UHFFFAOYSA-N 455.371 6.505 50 10 JKGE CCn1nc(C)cc1COc1c(Br)cc(Br)cc1CBr 312368150 AHNZMZJPNZSXGC-UHFFFAOYSA-N 466.999 5.210 50 10 JKGE COc1ccc(Br)c(COc2cccc(CBr)c2Br)c1 315737727 POSBRTCRLORTOX-UHFFFAOYSA-N 464.979 5.694 50 10 JKGE C[C@@H](CCn1c([C@@H](C)Cl)nc2cc(I)ccc21)N(C)Cc1ccccc1 379621288 UKHRKRBSQLECMF-JKSUJKDBSA-N 481.809 5.851 50 10 JKGE C[C@H](Cl)c1nc2ccccc2n1-c1ccc(I)c(Br)c1 380320951 ZBACZRBQIGMMNP-VIFPVBQESA-N 461.528 5.692 50 10 JKGE O=C(OCc1ccccc1)N1C[C@@H](CBr)[C@@H](c2c(F)cccc2Br)C1 382698413 YVGVVWPDQBFOCQ-CABCVRRESA-N 471.164 5.335 50 10 JKGE Cc1cc(Cl)ccc1[C@@H]1CN(C(=O)OCc2ccccc2)C[C@@H]1CI 382733848 VWBVWZPOCCPVGZ-QFBILLFUSA-N 469.750 5.436 50 10 JKGE CN(c1cc(Br)ccc1CBr)C1CCN(Cc2ccccc2)CC1 383734917 XGYRUAHPRKVPKC-UHFFFAOYSA-N 452.234 5.445 50 10 JKGE CCC[C@@H]1CC[C@@H](Br)[C@H](Cc2cc(Cl)ccc2I)C1 405341089 MWWUEEMNMJFZEF-TYNCELHUSA-N 455.605 6.467 50 10 JKGE CC(C)(C)[Si](C)(C)OCc1ccc([C@@H]2CCN(S(=O)(=O)c3ccccc3)c3ccccc32)cc1 616589242 XGUCPBWIJUVCKR-VWLOTQADSA-N 493.745 6.939 50 10 JKGE CC(C)[C@H](CN(C)Cc1ccccc1)n1c(CCl)nc2ccc(F)c(Br)c21 689722696 GHCBAURBJDRWLV-SFHVURJKSA-N 452.799 6.006 50 10 JKGE Fc1c(Br)ccc(C[C@@H](CBr)c2ccc(Br)cc2)c1F 701002455 ISEXRHWNDGBNQO-NSHDSACASA-N 468.961 6.211 50 10 JKGE Fc1cc(Br)cc(CBr)c1OCc1sncc1Br 719819965 WJOSTTUNRDKGLR-UHFFFAOYSA-N 459.960 5.281 50 10 JKGE Cc1ccc(C(CBr)(CBr)Cc2sncc2Br)cc1 719871476 JXECLUVNOAJSLB-UHFFFAOYSA-N 468.052 5.484 50 10 JKGE COc1ccc(OC)c([C@@H](Cl)c2ccc(I)c(Br)c2)c1 721573300 QWGGJQXGZYIROC-HNNXBMFYSA-N 467.528 5.399 50 10 JKGE Cc1ccc(C)c(-n2c(C)c(Br)c(C=NNC(=O)[C@@H](C)SCc3ccccc3)c2C)c1 1083984048 ROJSVZFTKDPQLZ-HXUWFJFHSA-N 498.490 6.245 50 10 JKGE CCOc1cc(C=NNC(=O)c2ccc(Br)cc2)ccc1OC(=O)c1ccc(C)cc1 1084082995 MRMUMYBNZMVTGB-UHFFFAOYSA-N 481.346 5.139 50 10 JKGE COc1cc(/C=C(/C#N)C(=O)Nc2ccccc2Cl)ccc1OCc1ccc(Br)cc1 1084245743 DNBMESNHAHAPPL-PDGQHHTCSA-N 497.776 6.236 50 10 JKGE COc1cc(/C=C(/C#N)C(=O)Nc2cc(C)ccc2C)ccc1OCc1ccc2c(c1)OCO2 1084255110 HWNSUSDTXMOYBH-NHDPSOOVSA-N 456.498 5.165 50 10 JKGE CCOc1ccc(C(=O)NN=Cc2ccc(OCc3ccc(Br)cc3)c(OC)c2)cc1 1084312924 XSWCRWAOOFXPTE-UHFFFAOYSA-N 483.362 5.199 50 10 JKGE Cc1ccc(C)n1-c1ccc(C(=O)NN=Cc2cc(C)n(-c3cccc([N+](=O)[O-])c3)c2C)c(Cl)c1 1084592805 RIJQYKGTAQMCEX-UHFFFAOYSA-N 489.963 5.827 50 10 JKGE Cc1cc(NS(=O)(=O)c2ccc(CBr)cc2)ccc1NC(=O)OC(C)(C)C 1260510592 MSPDGYAZFDVPOF-UHFFFAOYSA-N 455.374 5.038 50 10 JKGE O=C(COc1ccc(-c2ccccc2)cc1Br)NN=Cc1ccc(Br)cc1 1772754029 IJGBVZXTMJQQKZ-UHFFFAOYSA-N 488.179 5.408 50 10 JKGE COc1ccc(-c2nn(Cc3ccccc3Cl)c3c2[C@H](c2ccc(O)cc2)C(C#N)=C(N)O3)cc1 1865684022 LITBNFLCBWVTSW-HSZRJFAPSA-N 484.943 5.184 50 10 JKGE Cc1nn(Cc2ccc(Cl)c(Cl)c2)c2c1[C@@H](c1ccc(Cl)c(Cl)c1)C(C#N)=C(N)O2 1865685268 HJVVYOZELZIGIF-IBGZPJMESA-N 480.182 6.072 50 10 JKGE CCCCOc1ccc([C@H]2C(C#N)=C(N)Oc3c2c(C(F)(F)F)nn3CCC)cc1OCC 1865686913 DZYLTYNQIACMFE-SFHVURJKSA-N 464.488 5.108 50 10 JKGE CCc1nn(-c2ccc(Cl)c(Cl)c2)c2c1[C@@H](c1c(OC)ccc3ccccc13)C(C#N)=C(N)O2 1865688146 KWNBYIRXHDEIBZ-HSZRJFAPSA-N 491.378 6.121 50 10 JKGE CCCOc1cccc([C@H]2C(C#N)=C(N)Oc3c2c(C)nn3Cc2ccc(Cl)c(Cl)c2)c1 1865694199 VNXDFRBKAPBDAM-QFIPXVFZSA-N 469.372 5.554 50 10 JKGE CCCCCOc1ccc([C@H]2C(C#N)=C(N)Oc3c2c(CCC)nn3Cc2ccccc2)cc1OC 1865696164 XTZWMOMQYMOMGK-SANMLTNESA-N 486.616 5.680 50 10 JKGE CCc1nn(Cc2ccc(F)cc2)c2c1[C@@H](c1ccc(OCc3ccccc3C)cc1)C(C#N)=C(N)O2 1865703341 UKLADEKESXASSW-MHZLTWQESA-N 494.570 5.739 50 10 JKGE Cc1nc(-c2ccc(Cl)c(Cl)c2)ccc1C(=O)NNC(=O)c1ccccc1Br 1865759181 MHNKOBQGTGYMHR-UHFFFAOYSA-N 479.161 5.201 50 10 JKGE CC[C@@H]1Cc2cc(OC)ccc2N(c2cc(Nc3ccc(SC#N)cc3)nc(-c3ccccc3)n2)C1 1868365762 WZVHZYQHUXAQHV-HXUWFJFHSA-N 493.636 7.189 50 10 JKGE CCOc1cc(/C=C(\C#N)c2ccc(C(=O)OC)o2)ccc1OCc1ccc(Cl)cc1Cl 1872728735 QHXZVVLWWDJAKY-LICLKQGHSA-N 472.324 6.415 50 10 JKGE CCc1cccc(C)c1N1C[C@H](/C(O)=C(\C#N)c2nc(-c3ccc(F)c(C)c3)cs2)CC1=O 1872750019 SRTKICJRLPMUKO-XZSXMJNUSA-N 461.562 5.974 50 10 JKGE CC[C@@H](C)N1C(=O)c2ccc(/C(O)=C(\C#N)c3nc(-c4cc(Cl)ccc4Cl)cs3)cc2C1=O 1872757915 CBIDLVLAFBOIDX-ACHDJDMMSA-N 498.391 6.461 50 10 JKGE COc1ccc(-c2csc(/C(C#N)=C(\O)CCCOc3ccc(Cl)cc3)n2)c(OC)c1OC 1872759061 CBJNIDIOQFQJPD-ZZEZOPTASA-N 486.977 6.141 50 10 JKGE Clc1ccc(CC[C@H](Br)COCc2ccccc2)cc1I 1887438356 KJKCRZWWWKWGFU-HNNXBMFYSA-N 479.583 5.858 50 10 JKGE CC[C@H](C)c1ccc(S(=O)(=O)N(Cc2ccccc2)[C@@H](CBr)C2CC2)cc1 1915185385 AKIRLINRSSQPEC-JTSKRJEESA-N 450.442 5.565 50 10 JKGE O=C(NC[C@H]1CC[C@H](CBr)CC1)c1cc(Br)ccc1Br 1922703728 FIRMUANYISYBFM-XYPYZODXSA-N 468.027 5.143 50 10 JKGE Cc1c(Br)sc([C@H](Br)c2ccccc2OC(F)F)c1Br 1922886575 SHYLDBVTBFPJAU-SNVBAGLBSA-N 490.989 6.667 50 10 JKGE Cc1c(Br)sc([C@@H](Br)C(C2CCC2)C2CCC2)c1Br 1922899437 CDEPYUXQDMKJKA-ZDUSSCGKSA-N 471.096 7.234 50 10 JKGE Cc1ccc([C@@H](Cl)c2sc(Br)c(C)c2Br)c(Br)c1 1922942738 SGMAUKVKQDHDMI-LLVKDONJSA-N 473.455 6.981 50 10 JKGE Clc1c(Br)sc(Br)c1[C@H](Cl)c1ccc(Br)o1 1923047490 CBHGLVYFVTVMAC-ZCFIWIBFSA-N 469.807 6.610 50 10 JKGE FC(F)Oc1ccc([C@H](Cl)c2c(Br)sc(Br)c2Cl)cc1 1923049845 OLPBVBKBTDZEDO-QMMMGPOBSA-N 466.956 6.856 50 10 JKGE CCC1([C@@H](Br)c2c(Br)sc(Br)c2Br)CC1 1924577047 WHUMYZKIPWROKW-ZETCQYMHSA-N 481.873 6.662 50 10 JKGE Cl[C@H](c1c(Br)sc(Br)c1Br)[C@]12COC[C@H]1C2 1924608164 DXIRELFHYMXNNN-XMRAEQSQSA-N 451.405 5.352 50 10 JKGE Cl[C@@H](c1c(Br)sc(Br)c1Br)[C@@]12CCC[C@@H](C1)OC2 1925061469 MIERWYRNLWPEOJ-HQLZOWSPSA-N 479.459 6.275 50 10 JKGE Cc1ccc(Cl)c([C@@H](Br)c2sc(Br)c(C)c2Br)c1 1925497847 COZKANQRQNDKHK-LLVKDONJSA-N 473.455 7.028 50 10 JKGE Fc1cc([C@H](Br)c2c(Cl)sc(Cl)c2Cl)ccc1Br 1925587108 GWFKVWNIPPPEBT-QMMMGPOBSA-N 453.385 7.094 50 10 JKGE O=C(c1c(Br)c(Br)cc(Br)c1Br)[C@H]1C[C@H]1Cl 1995046861 IXIXPWCXGDSEJU-BBIVZNJYSA-N 496.218 5.547 50 10 JKGE CC1(C)C[C@@H]([C@H](Cl)c2c(Br)sc(Br)c2Br)CO1 1997141286 FEHJFTIBCDOYNX-XRGYYRRGSA-N 467.448 6.131 50 10 JKGE C[C@H]1CC[C@H]([C@@H](Br)c2c(Br)sc(Br)c2Cl)CC1 2003103056 GOMLCKUFIMAHCY-ZXFLCMHBSA-N 465.476 7.189 50 10 JKGE CCc1sc(Br)cc1[C@@H](Br)c1cc(C)ccc1Br 2030218499 GTDZZXIRVMNDAD-AWEZNQCLSA-N 453.037 6.628 50 10 JKGE Cc1sc([C@H](Br)c2c(Cl)cccc2Br)c(C)c1Br 2050317655 NZCZDRYDNNGFAB-GFCCVEGCSA-N 473.455 7.028 50 10 JKGE N#CC(=C1SC=C(c2ccc(Br)cc2)N1c1ccccc1)c1nnc2n1CCCCC2 2052963839 LCOXYUUOZAIZFQ-UHFFFAOYSA-N 490.430 6.211 50 10 JKGE COc1cc([C@@H](Br)c2sc(C)cc2Br)ccc1Br 2072061412 QCQPZQJXSYXQMJ-GFCCVEGCSA-N 455.009 6.074 50 10 JKGE COc1c(Cl)cc(Br)cc1[C@@H](Br)c1csc(Br)c1 2082859964 WJWYZLYDNFGTJF-NSHDSACASA-N 475.427 6.419 50 10 JKGE Clc1cc(Br)c(OCc2csc(Br)c2)c(CBr)c1 2084090002 OBPGTZFDDHCZMO-UHFFFAOYSA-N 475.427 6.400 50 10 JKGE Fc1ccc(C[C@H](Br)c2cccc(Br)c2Br)cc1F 2092334042 FKPBUAFZSQGUIK-NSHDSACASA-N 454.934 6.169 50 10 JKGE CN(C[C@@H](Br)C1CCCC1)C(=O)c1cc(Br)sc1Br 2111347340 AQGGTPIXBZYBSY-SNVBAGLBSA-N 474.056 5.299 50 10 JKGE ClCCc1nc2cc(Cl)c(Br)cc2n1CCCCOCc1ccccc1 2112701544 LEGVXWVHPJMNGI-UHFFFAOYSA-N 456.211 6.231 50 10 JKGE BrC[C@@H]1C[C@H]2CCC[C@@H]2N1Cc1cc(Br)ccc1Br 2118527717 GHHOOPNUUCDQQK-DGFSRKRXSA-N 452.028 5.350 50 10 JKGE C[C@@H]1OCC[C@H]1CC(CBr)(CBr)c1ccc(Br)cc1 2121123743 ORGIIGOFOCTYRG-RYUDHWBXSA-N 455.028 5.292 50 10 JKGE CC(C)(C)[C@H]1[C@H](Br)CCN1Cc1c(Br)cccc1Br 2128674035 BVXWJYCOWCRCEK-ZIAGYGMSSA-N 454.044 5.596 50 10 JKGE COc1cc(Cl)c([C@@H](Br)c2cc(Cl)c(Cl)s2)cc1Br 2137663605 VEXQSANFGSSFHL-LLVKDONJSA-N 465.421 6.964 50 10 JKGE COc1cc([C@@H](Br)c2c(Br)sc(C)c2C)ccc1Br 2138266549 FVIYCFBHDZESOB-CYBMUJFWSA-N 469.036 6.383 50 10 JKGE Cc1sc(Br)cc1[C@H](Br)c1cc2c(cc1Br)NC(=O)C2 2152047299 GGHCCLNVJSJXMU-AWEZNQCLSA-N 480.019 5.560 50 10 JKGE CC[C@@H]1CC[C@H](CC(CBr)(CBr)c2cccc(Br)c2)O1 2201407966 BHZFWWTXGMYUBA-HUUCEWRRSA-N 469.055 5.824 50 10 JKGE Cc1ccc([C@@H](Cl)c2c(Cl)sc(Cl)c2Cl)cc1I 2217864583 MCQJRMGWUCTSPS-SECBINFHSA-N 451.971 6.950 50 10 JKGE CCOCc1cc(Br)c([C@H](Br)c2sncc2Br)s1 2217988640 GRDCYGRTSTYKNZ-VIFPVBQESA-N 476.053 5.750 50 10 JKGE CC1(C)[C@H]([C@H](Br)c2cc(Br)c(Br)cc2F)C1(F)F 2218604416 VUBBOMSQTCWJIB-ZJUUUORDSA-N 450.918 6.078 50 10 JKGE Cc1sc(Br)c(C)c1[C@H](Cl)Cc1ccccc1I 2218793559 GZYXXLXKHQYKMA-LLVKDONJSA-N 455.586 6.255 50 10 JKGE CCCN[C@H](c1c(Br)cc(Cl)c(Cl)c1Cl)[C@H]1C[C@@H]1Br 2224311581 QYKINBYJWJVCHX-MREMCGJQSA-N 450.429 6.233 50 10 JKGE Cc1cccc(C(CBr)(CBr)Cc2ncsc2Br)c1 2226132590 DSUHMBJNRJCYHC-UHFFFAOYSA-N 468.052 5.484 50 10 JKGE Cc1cc(Br)c([C@H](Br)[C@@H]2C[C@H]3C[C@@H]3CO2)c(C)c1Br 2227373464 ZXLPMOWGDKYTCH-DSKWVYQCSA-N 453.012 5.689 50 10 JKGE Fc1ccc([C@H](Cl)c2c(Br)cc(Cl)c(Cl)c2Cl)c(Br)c1 2232509626 DGEJDQPPLAZCRG-NSHDSACASA-N 481.801 7.639 50 10 JKGE COc1cc([C@H](Br)c2cc(Br)c(C)s2)c(OC)cc1Br 2234475955 UXVPQTQIUVNDBL-AWEZNQCLSA-N 485.035 6.083 50 10 JKGE COc1c(C)cc(Br)cc1[C@@H](Cl)c1cc(C)ccc1I 2241001532 PIRAMEMMZDRZEZ-HNNXBMFYSA-N 465.556 6.007 50 10 JKGE CCc1nc([C@@H](Br)Cc2cc(Br)cc(Br)c2)cs1 2263511177 WESZZDWDFLRMHO-NSHDSACASA-N 454.025 5.909 50 10 JKGE COCc1cc(Br)c([C@H](Cl)c2c(F)cccc2I)s1 2267663573 PPMLQPMJMIQRLR-GFCCVEGCSA-N 475.548 5.729 50 10 JKGE Clc1ccc(C[C@@H](Br)c2ccc(Cl)c(I)c2)cc1Cl 2268318293 VQBUUJFIEVQKEV-SNVBAGLBSA-N 490.393 6.930 50 10 JKGE COc1c([C@H](Br)c2coc(Br)c2)cc(Br)c(C)c1C 2269111636 SXZBDYGDLUCQTI-CYBMUJFWSA-N 452.968 5.914 50 10 JKGE Fc1cc(Br)c(Br)cc1[C@H](Br)[C@@]12CCCC[C@@H]1CC2 2273345615 WHQRXTOMSVXVRL-TURNYIBQSA-N 455.003 6.757 50 10 JKGE COc1cc(Cl)c(Cl)cc1[C@@H](Br)c1cc(Br)ccc1Cl 2279055455 APEWPKHNTRORBH-AWEZNQCLSA-N 459.392 6.902 50 10 JKGE COc1c([C@@H](Br)c2csnc2Br)cc(Br)c2c1CCC2 2284514432 GMCKYWIPFOGMOP-GFCCVEGCSA-N 482.035 5.650 50 10 JKGE Cc1ccc([C@@H](Cl)c2c(F)cc(Br)c(F)c2Br)cc1Br 2288353813 LVYILNRCYWKGRN-CYBMUJFWSA-N 489.379 6.889 50 10 JKGE COc1ccc(C)c([C@H](Br)Cc2cc(Br)cc(Br)c2)c1 2295331922 PROXJRJGOQIBFP-MRXNPFEDSA-N 463.007 6.207 50 10 JKGE N#CC(=Cc1ccc(OC(=O)c2cccc3ccccc23)cc1)C(=O)Nc1cc(Cl)cc(Cl)c1 2295459647 JGQXWMRGSWOQQS-UHFFFAOYSA-N 487.342 6.911 50 10 JKGE N#CC(=CNc1cccc(Cl)c1Cl)c1nc(-c2cc3cc([N+](=O)[O-])ccc3oc2=O)cs1 2295902700 UWLSGTYTKJTSOB-UHFFFAOYSA-N 485.308 6.108 50 10 JKGE CCOc1ccccc1C=C(C#N)c1nc(-c2cc3c(ccc4ccccc43)oc2=O)cs1 2297213755 ZUFLXGKRKMOPFG-UHFFFAOYSA-N 450.519 6.533 50 10 JKGE C[C@@H]1C[C@@H]1[C@@H]1C[C@@H]1[C@H](Br)c1ccc(OCc2ccccc2)cc1Br 2299503209 CYAQWKCMTGEPTJ-YQGZMBCDSA-N 450.214 6.756 50 10 JKGE CC12CC([C@H](Br)c3ccc(OCc4ccccc4)cc3Br)(CO1)C2 2299530731 OVQGZLCFMHBPMO-XEVCZEQESA-N 452.186 6.033 50 10 JKGE Brc1cc(OCc2ccccc2)ccc1[C@@H](Br)[C@@H]1C[C@@H]2CCC[C@@H]2C1 2314446560 URKSQVPQQCACIU-FBAVSBLXSA-N 464.241 7.290 50 10 JKGE O=S1(=O)CCCC[C@H]1[C@H](Br)c1ccc(OCc2ccccc2)cc1Br 2314448735 KBXIQCPTRMVURY-RBUKOAKNSA-N 488.241 5.431 50 10 JKGE FCC12CC([C@H](Br)c3ccc(OCc4ccccc4)cc3Br)(CO1)C2 2314502032 DNGQNDGZKOOHQP-XEVCZEQESA-N 470.176 5.983 50 10 JKGE CCOc1ccc(N2C(=O)[C@@H](Cc3ccc(C)cc3)SC2=C(C#N)C(=O)Nc2ccccc2)cc1 2314592533 WUSUGAVWEMTEDG-RUZDIDTESA-N 483.593 5.459 50 10 JKGE CC(C)(C)OC(=O)NC[C@](C)(CI)OCc1cccc(C2CCC2)c1 2320673046 UALRCHAXKTZTHE-FQEVSTJZSA-N 459.368 5.189 50 10 JKGE C[C@H]1CC=CC[C@]1(CBr)Cc1ccc(I)c(Br)c1 2325217289 CLWDVTQLNBRAPL-XHDPSFHLSA-N 484.013 5.964 50 10 JKGE Cc1cc(I)ccc1NC(=O)C(C#N)=CNc1cc(Cl)ccc1Cl 2325405906 OWQALYHKCWNUQE-UHFFFAOYSA-N 472.113 5.365 50 10 JKGE Cc1ccc(OCC(O)=C(C#N)c2nc(-c3ccc4ccccc4c3)cs2)c(C(C)(C)C)c1 2331238664 JOISVKFEERMULZ-UHFFFAOYSA-N 454.595 7.441 50 10 JKGE C[C@@H](C(O)=C(C#N)c1nc(-c2ccc(Br)cc2)cs1)N1C(=O)c2ccccc2C1=O 2331259673 KXBNRVXOESLLKU-LBPRGKRZSA-N 480.343 5.050 50 10 JKGE COc1ccc(-c2csc(C(C#N)=C(O)C=Cc3ccc(Cl)cc3Cl)n2)c(C)c1C 2331361376 PDCOUSITRKTRHX-UHFFFAOYSA-N 457.382 7.248 50 10 JKGE CCCOc1ccc(C=C(C#N)c2nc(-c3cc(Cl)c(OC)cc3OC)cs2)cc1OCC 2331471729 BUDLORVQVJENQT-UHFFFAOYSA-N 485.005 6.732 50 10 JKGE CCOc1ccc(-c2csc(C(C#N)=Cc3cc(Cl)c(O)c(OC)c3)n2)c(OCC)c1 2331473951 QTCVRUASHVSGME-UHFFFAOYSA-N 456.951 6.039 50 10 JKGE Brc1cc(OCc2ccccc2)ccc1[C@H](Br)c1ccc2sncc2c1 2336041802 QTVQDDKZPRYQQS-OAQYLSRUSA-N 489.232 7.122 50 10 JKGE COc1cccc(OC)c1[C@H](Br)c1sc(Cl)cc1I 2338558544 LZJGLEOIISFOQZ-LBPRGKRZSA-N 473.557 5.508 50 10 JKGE Cl[C@@H](c1c(Br)sc(Br)c1Br)[C@H]1COC2(CCC2)CO1 2338782455 FYRUJSFGIFEMPH-HZGVNTEJSA-N 495.458 5.654 50 10 JKGE COc1ccc(Br)cc1[C@H](Cl)c1c(Br)c(Br)nn1C 2338861415 RHVVQTCAQIVONN-JTQLQIEISA-N 473.390 5.044 50 10 JKGE CCCC(CCC)[C@@H](Br)c1c(C)cc(Br)c(F)c1Br 2339645370 HKWSWKMCWQIONG-CYBMUJFWSA-N 459.035 7.312 50 10 JKGE CO[C@@H]1CC[C@H]1C[C@@H](Br)c1c(C)cc(Br)c(F)c1Br 2339655733 GVICORKYMJRDTO-IQJOONFLSA-N 458.991 5.910 50 10 JKGE Cc1cc([C@H](Br)c2ccc(Cl)cc2I)c(F)cc1F 2340062255 XJNHQMCONHEEPF-CQSZACIVSA-N 457.483 6.016 50 10 JKGE COc1cc([C@H](Br)c2cc3sc(Br)cc3s2)sc1Cl 2340291114 KUNUWFWWZZBSOD-NSHDSACASA-N 458.649 6.933 50 10 JKGE O=C(CCc1cc(Cl)cc(Cl)c1)N(Cc1ccccc1)[C@@H](CBr)C1CC1 2341171225 IVXASRMATOFGAF-FQEVSTJZSA-N 455.223 6.128 50 10 JKGE Brc1cc2c(cc1[C@@H](Br)c1sncc1Br)CCCO2 2343579717 DVJBNLINSNKBAF-GFCCVEGCSA-N 468.008 5.477 50 10 JKGE Cc1ccccc1[C@@H](Br)CCc1ccc(I)c(Br)c1 2349850809 GYMYHJAIPDFCRN-AWEZNQCLSA-N 494.008 6.431 50 10 JKGE CCN(C[C@](C)(CBr)OCc1cc(F)c(Cl)cc1Cl)C(=O)OC(C)(C)C 2349901289 PQWOIWRYUJBADX-SFHVURJKSA-N 473.210 6.060 50 10 JKGE Fc1cccc([C@@H](Cl)c2c(F)cc(Cl)c(Br)c2Cl)c1Br 2360429233 MYIGYOPLJIKRLY-GFCCVEGCSA-N 465.346 7.125 50 10 JKGE Clc1ccc([C@@H](Cl)c2csc3c(Br)cccc23)c(I)c1 2365598620 REEPKKHHKCRWOE-CQSZACIVSA-N 498.010 7.250 50 10 JKGE C=CC[C@@]1(CBr)CCCN(Cc2ccc(Cl)cc2I)C1 2366721196 HVIHZEIHSLVBLR-INIZCTEOSA-N 468.604 5.498 50 10 JKGE COC(C)(C)C1(COc2c(Br)cc(CBr)cc2Br)CC1 2369819309 WHVCKFGRYJKKMA-UHFFFAOYSA-N 471.027 5.691 50 10 JKGE Fc1cc(OCc2ccc(I)c(Br)c2)cc(Cl)c1CCl 2379790655 AZXLLXDFFBXUBT-UHFFFAOYSA-N 489.937 6.164 50 10 JKGE COc1cccc([C@H]2C(C#N)=C3N=C(N)c4ccccc4N3C3=C2C(=O)C[C@@H](c2ccccc2)C3)c1 3654394 HJWCBHFRONBXNG-DCFHFQCYSA-N 472.548 5.154 50 10 JKGE Cc1ccc(C)c(O[C@H](C)C(=O)NNC(=O)c2ccc(NC(=O)c3ccc(C(C)(C)C)cc3)cc2)c1 14008662 MLQVVRSYQQAXNH-HXUWFJFHSA-N 487.600 5.082 50 10 JKGE Cc1ccc(C(=O)NNC(=O)c2cc(Br)ccc2OCCC(C)C)cc1Br 14650763 QTDZFRUPMRMDJA-UHFFFAOYSA-N 498.215 5.020 50 10 JKGE COc1ccc(/C=C(/C#N)S(=O)(=O)c2ccccc2)cc1COc1cccc2cccnc12 33471631 HVGDWEGIHMJQLJ-KQWNVCNZSA-N 456.523 5.161 50 10 JKGE Cc1ccccc1NC(=O)/C(C#N)=C/c1ccc(-n2nc(-c3ccccc3)cc2-c2ccccc2)cc1 33568568 BCVVFNHXGGGLKI-NHFJDJAPSA-N 480.571 7.060 50 10 JKGE N#C/C(=C/c1ccc(-c2cccc(C(F)(F)F)c2)o1)C(=O)Nc1ccc(Cl)cc1Cl 34856608 ZRHKKIHBYIUCCO-LCYFTJDESA-N 451.231 6.818 50 10 JKGE CCCCN1C(=O)/C(=N/NC(=O)CCCOc2ccc(Cl)cc2Cl)c2cc(C)ccc21 38180224 GQJWKQYQHRSLAM-HPNDGRJYSA-N 462.377 5.128 50 10 JKGE CCCCCOc1ccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4cccc([N+](=O)[O-])c4)ccc32)cc1 38685573 HTBZQPPTWIVKFI-AREMUKBSSA-N 499.523 5.601 50 10 JKGE Cc1ccc2oc(C(=O)Oc3ccc4c(c3)OC(N)=C(C#N)[C@@H]4c3ccc(Cl)cc3)c(C)c2c1 38687834 AOILSGBIMCICTA-XMMPIXPASA-N 470.912 6.140 50 10 JKGE Cc1c(C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@H]3c2ccc([N+](=O)[O-])cc2)oc2ccccc12 38688215 BYLTVRWWSMIGSI-QHCPKHFHSA-N 467.437 5.087 50 10 JKGE Cc1cc(Oc2nc3ccccn3c(=O)c2/C=C(/C#N)C(=O)Nc2ccc(Cl)cc2)ccc1Cl 39858741 PHHHTXBFQJDMFX-SSZFMOIBSA-N 491.334 5.648 50 10 JKGE O=C(CC[C@@H](O)c1ccccc1)N/N=C\c1cc(Cl)c(OCc2ccccc2Cl)c(Cl)c1 58889391 MGTCMTZQCHSUHX-MGCJZSHXSA-N 491.802 6.190 50 10 JKGE N#Cc1ccccc1Cn1cc(/C=N/NC(=O)c2cc3cc(Br)ccc3o2)c2ccccc21 59304489 GBAFVOFXLWPXIS-IPPBACCNSA-N 497.352 5.834 50 10 JKGE C=CCc1cc(/C=C(/C#N)C(=O)Nc2ccc(C)cc2)cc(OC)c1OCc1ccc(Cl)cc1 59335092 ARTUTVLZCVHDNP-HAHDFKILSA-N 472.972 6.510 50 10 JKGE CCCCCCCCCCCCCCCCCCNC(=S)N[C@H]1CS(=O)(=O)C[C@H]1Cl 59568219 VQNRDDDMHSZYAC-YADHBBJMSA-N 481.212 6.116 50 10 JKGE CCc1ccc(N2C(=O)[C@H](Cc3ccc(F)cc3)S/C2=C(/C#N)C(=O)Nc2cccc(C)c2)cc1 101245392 DWNBDACSHCVQJM-UZEPBSNMSA-N 485.584 5.762 50 10 JKGE Clc1cc(Br)ccc1[C@@H](Cl)c1cc2c(cc1Br)OCCO2 109821750 WUAUNLZSVVLQKM-OAHLLOKOSA-N 452.957 5.964 50 10 JKGE Cc1cc([C@@H](Br)c2cc(Br)ccc2Br)ccc1Br 137894548 MDOOIMMBNJUVHK-CQSZACIVSA-N 497.850 6.767 50 10 JKGE Cc1cc(Br)c(S(=O)(=O)Nc2ccccc2CCl)cc1Br 155820595 ZHOPCQCDAZFBBG-UHFFFAOYSA-N 453.583 5.060 50 10 JKGE CCOc1cc(Cl)c([C@H](Br)c2ccc(Br)cc2Cl)cc1Cl 164552679 BBVSWQZEAOADQW-OAHLLOKOSA-N 473.419 7.292 50 10 JKGE COc1c(C)cc(P(c2cc(C)c(OC)c(C)c2)c2ccc[c-]2[C@H](c2ccccc2)N(C)C)cc1C 206535133 YKCMRCURJAIUDV-PMERELPUSA-N 498.627 6.066 50 10 JKGE CCOC(=O)c1c(NC(=O)/C(C#N)=C\c2cc(OC)c(OC)c(OC)c2)sc2c1CC[C@H](CC)C2 209398612 IADVZCFKHZKCSB-HAKPAVFJSA-N 498.601 5.011 50 10 JKGE N#CC(C#N)=C(Nc1ccccc1)S[C@H]1CC(=O)N(c2ccc(/C=C\c3ccccc3)cc2)C1=O 210098554 XIMUUFFTNKIFJJ-MQCQLYSJSA-N 476.561 5.593 50 10 JKGE Cc1sc([C@@H](Br)c2ccccc2I)cc1Br 227837517 VKKZVPUTPZWXPP-LBPRGKRZSA-N 471.983 5.908 50 10 JKGE CC1(C)[C@H]2CC[C@@]1(C)[C@@H](O[C@@H](CI)c1ccccc1Br)C2 231318683 USADWOSAKFCZDB-RPZXMPESSA-N 463.197 6.157 50 10 JKGE Cl[C@@H](c1cc(I)ccc1Br)c1cccc2ccccc12 236032462 YGNYSWGPOPDHDR-QGZVFWFLSA-N 457.536 6.535 50 10 JKGE Clc1ccc([C@@H](Cl)c2csc3c(Br)cccc23)cc1Br 236040441 SJNNIRGVBAKOEY-CQSZACIVSA-N 451.010 7.408 50 10 JKGE CC(=NNC(=O)CSCc1ccc(Cl)cc1)c1ccc(NC(=O)c2ccccc2)cc1 252622266 NRKRCKMXDFHFSZ-UHFFFAOYSA-N 451.979 5.366 50 10 JKGE CC(=NNC(=O)c1sc2cc(Cl)ccc2c1Cl)c1ccc(NC(=O)c2cc(C)on2)cc1 252624460 POIDJDPVJXCLRJ-UHFFFAOYSA-N 487.368 5.911 50 10 JKGE CN(C)c1ccc(C=NNC(=O)CSc2nnc(SCc3cccc4ccccc34)s2)cc1 254382432 BNSZIVSNEMYKPE-UHFFFAOYSA-N 493.683 5.292 50 10 JKGE CC(=NNC(=O)c1sc2ccccc2c1Cl)c1ccc(NC(=O)/C=C\c2ccccc2)cc1 254491353 IWDZBVAOARZRDJ-GYZRTNJFSA-N 473.985 6.361 50 10 JKGE COc1ccc(Br)cc1[C@@H](Br)c1cccc(OCc2ccccc2)c1 310875537 MRYGOIWYGSKOFF-NRFANRHFSA-N 462.181 6.521 50 10 JKGE Cc1cc(C)c([C@H](Br)c2cc(Cl)cc(Br)c2)c(C)c1Br 312712351 FLWWELDRQFIGRY-MRXNPFEDSA-N 481.453 7.275 50 10 JKGE CCc1cc(C)sc1[C@H](Br)c1ccc(Br)cc1Br 381192189 YEMHFPAFHOLGRZ-CYBMUJFWSA-N 453.037 6.628 50 10 JKGE O=C(OCc1ccccc1)N1C[C@@H](CI)[C@@H](c2c(Cl)cccc2Cl)C1 382691214 IKPFPXBMKGYAEE-CABCVRRESA-N 490.168 5.781 50 10 JKGE C[C@H](Br)CC(C)(C)CNC(=O)c1cc(Br)sc1Br 393565215 PVLRJSUNQYCXIO-ZETCQYMHSA-N 462.045 5.203 50 10 JKGE Brc1cc([C@H](Br)c2ccccc2OCc2ccccc2)cc2c1OCCC2 689520469 WMMSDIYXIOLZFH-QFIPXVFZSA-N 488.219 6.837 50 10 JKGE Br[C@@H](c1cc2cscc2s1)c1cc(I)cc2c1OCC2 694383987 WLCMAHHHAGCRGR-CQSZACIVSA-N 477.186 5.987 50 10 JKGE COc1c(C)cc(Br)c(C)c1[C@H](Br)c1ccsc1Br 698578360 YUPPFJUTKJOAQF-GFCCVEGCSA-N 469.036 6.383 50 10 JKGE C[C@H]1CCN(Cc2ccccc2)C[C@@H]1n1c(CCl)nc2cc(F)c(Br)cc21 716302344 TZPPDMWMIRLKPS-XOBRGWDASA-N 450.783 5.760 50 10 JKGE Cc1cccc(COc2cccc(C=NNC(=O)c3ccc(OCc4ccccc4F)cc3)c2)c1 1084105323 UDVOOVREHQYODE-UHFFFAOYSA-N 468.528 6.056 50 10 JKGE COc1cccc(/C=C(/C#N)C(=O)Nc2cc(Cl)ccc2Cl)c1OCc1cccc(Cl)c1 1084133228 NVBTUZIVYKXADA-BOPFTXTBSA-N 487.770 6.780 50 10 JKGE CCc1ccccc1NC(=O)C(=O)NN=Cc1cccc(OCc2c(Cl)cccc2Cl)c1 1084154714 CRXMQUFVCWJZIP-UHFFFAOYSA-N 470.356 5.224 50 10 JKGE O=C(NN=C(CSc1nc2ccccc2[nH]1)c1ccc2ccccc2c1)c1cccc([N+](=O)[O-])c1 1084308552 SKJDSXCTGUGCAU-UHFFFAOYSA-N 481.537 5.551 50 10 JKGE CCOc1cc(C=NNC(=O)CC[C@@H](O)c2ccccc2)ccc1OCc1ccccc1Cl 1084375655 CBQGFAKRBQMTCS-HSZRJFAPSA-N 466.965 5.282 50 10 JKGE O=C(CCCOc1ccc(Cl)cc1Cl)NN=Cc1c2ccccc2cc2ccccc12 1084495622 WFXDWZTXTIGVCB-UHFFFAOYSA-N 451.353 6.609 50 10 JKGE 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 1616183668 IOFXIXOKOAYADV-AMWQFENFSA-N 470.694 6.580 50 10 JKGE COc1cccc([C@@H]2C(C#N)=C(N)Oc3c2c(-c2ccccc2)nn3-c2cccc3ccccc23)c1O 1865683262 BSHQKJFUBHGFFI-RUZDIDTESA-N 486.531 5.625 50 10 JKGE CCOc1cccc([C@@H]2C(C#N)=C(N)Oc3c2c(C(F)(F)F)nn3-c2ccc(Cl)c(Cl)c2)c1 1865690471 SDKPKOPVDJQGLO-QGZVFWFLSA-N 495.288 5.815 50 10 JKGE CCCCOc1ccc([C@H]2C(C#N)=C(N)Oc3c2c(CC)nn3Cc2ccccc2Cl)cc1 1865690539 UHBRHFGHLFOPMZ-QHCPKHFHSA-N 462.981 5.544 50 10 JKGE Cc1ccsc1[C@@H]1C(C#N)=C(N)Oc2c1c(-c1ccccc1)nn2Cc1ccc(Cl)c(Cl)c1 1865698745 BRZLCRZTBIYXOP-HXUWFJFHSA-N 493.419 6.493 50 10 JKGE CCCC[C@H](NC(=O)c1nc(C(C)(C)C)n2ccccc12)C(=O)Nc1ccc(SC#N)cc1 1866874372 AABVULRKAPBZIR-IBGZPJMESA-N 463.607 5.132 50 10 JKGE CC(C)(C)CN1CCN(c2cc(Nc3ccc(SC#N)cc3)nc(-c3ccc(F)cc3)n2)CC1 1868456831 UNKTTYQVZZTLPN-UHFFFAOYSA-N 476.625 5.768 50 10 JKGE COc1cccc(/C=C(\C#N)c2nc(O)c3ccccc3n2)c1OCc1c(Cl)cccc1Cl 1872726974 WHFNNMPWMWOJGD-FOWTUZBSSA-N 478.335 6.294 50 10 JKGE CC[C@@H](C)N1C(=O)c2ccc(/C(O)=C(\C#N)c3nc(-c4ccc(OC)c(OC)c4)cs3)cc2C1=O 1872745579 UHBKNRYHWCHFNN-GYXJVLCKSA-N 489.553 5.172 50 10 JKGE CC(C)C[C@@H](/C(O)=C(\C#N)c1nc(-c2ccc(C(C)(C)C)cc2)cs1)N1C(=O)c2ccccc2C1=O 1872751050 RETGZDQNFGKUDD-JRURIKFDSA-N 499.636 6.611 50 10 JKGE COc1ccc(C(C)(C)C)cc1-c1csc(/C(C#N)=C(\O)CCc2ccc(Cl)cc2)n1 1872751498 KSTBCZZDNTVSJT-XDOYNYLZSA-N 453.007 7.195 50 10 JKGE CCOc1ccc(-c2csc(/C(C#N)=C(\O)[C@@H]3CC(=O)N(C(C)(C)C)C3)n2)c(OCC)c1 1872755216 DFQDPUALLNQOOE-VGLIXDPASA-N 455.580 5.047 50 10 JKGE COc1ccc(-c2csc(/C(C#N)=C(O)/C=C\c3ccc4c(c3)OCCO4)n2)cc1Cl 1872757370 CDMUSJNBWIFFCU-HZKDXSKUSA-N 452.919 5.749 50 10 JKGE CCCCCOc1ccc(/C=C(\C#N)c2nc(-c3ccc(C(C)C)cc3)cs2)cc1OCC 1872791625 OPXGGPGTXXDALN-LFVJCYFKSA-N 460.643 7.965 50 10 JKGE CCCOc1c(/C=C(\C#N)c2nc(-c3ccc(OCC)cc3OCC)cs2)cccc1OC 1872793752 QZRWVAFDPKVPAO-XMHGGMMESA-N 464.587 6.469 50 10 JKGE CCCOc1ccc(-c2csc(/C(C#N)=C(\O)[C@H](C)Oc3ccc(Cl)cc3)n2)cc1OCCC 1872818110 NILVHLHJPXXVKU-YEUWRSSNSA-N 499.032 7.301 50 10 JKGE C=CCN(C(=O)OCC1c2ccccc2-c2ccccc21)c1nc(CCl)c(C(=O)O)s1 1887616789 BJDSSTAEWQSEMK-UHFFFAOYSA-N 454.935 5.522 50 10 JKGE BrC[C@@H](Cc1ccc(I)c(Br)c1)C1CCC1 1904346798 WGGXQCKEEFSOBY-LLVKDONJSA-N 457.975 5.407 50 10 JKGE Cc1c(Br)sc([C@H](Cl)c2nscc2Br)c1Br 1922879936 APDMNMOMZWQIIL-ZCFIWIBFSA-N 466.445 6.129 50 10 JKGE Brc1cc(Br)c([C@H](Br)c2nscc2Br)s1 1922897074 KUSCBDDBFZNGFP-ZCFIWIBFSA-N 496.869 5.976 50 10 JKGE Cc1c(Br)sc([C@@H](Cl)c2ccc(F)c(Br)c2)c1Br 1922945889 LMZZUZGGTQOHBY-JTQLQIEISA-N 477.418 6.811 50 10 JKGE CC1(C)C[C@]1(C)[C@@H](Br)c1c(Br)sc(Br)c1Br 1924611872 GVMYLHFIBQNONH-WRWORJQWSA-N 495.900 6.908 50 10 JKGE CC1(C)C[C@@H]1C[C@@H](Br)c1c(Br)sc(Br)c1Br 1924616629 RCUQFYNPBAEWEC-NTSWFWBYSA-N 495.900 6.908 50 10 JKGE CC(C)([C@H]1CCCO1)[C@@H](Cl)c1c(Br)sc(Br)c1Br 1924616934 VLBGDEOPAJSZDW-MUWHJKNJSA-N 481.475 6.521 50 10 JKGE Clc1cc(Br)cc([C@H](Cl)c2c(Cl)sc(Br)c2Cl)c1 1925587170 HJMJYZQNYNPGBL-QMMMGPOBSA-N 469.840 7.562 50 10 JKGE C[C@H](Br)CN(Cc1ccccc1)C(=O)c1cc(Br)c(Cl)s1 1956957470 OFRFRLXNIOBOGW-JTQLQIEISA-N 451.611 5.590 50 10 JKGE CN(CCN(Cc1ccccc1)c1cc(Br)cc(F)c1CCl)Cc1ccccc1 1961322087 WVTRPCQBGLWRJG-UHFFFAOYSA-N 475.833 6.466 50 10 JKGE CC(C)(C)OC(=O)N[C@H](CBr)[C@@H]1CCC[C@@H]1[C@@H]1CCCCN1C(=O)OC(C)(C)C 1975072750 RYMXWBXRAHDROO-XDNAFOTISA-N 475.468 5.481 50 10 JKGE CCN(C[C@](C)(CI)OC1CCC(F)(F)CC1)C(=O)OC(C)(C)C 1995744141 INLDCGTZWOKWCJ-INIZCTEOSA-N 461.331 5.032 50 10 JKGE Cl[C@H](Cc1cccc(Br)c1)c1cccc(Br)c1Br 2031483230 BDOPVXSJBWTREC-CYBMUJFWSA-N 453.399 6.497 50 10 JKGE CC1(C)CCC[C@H]([C@@H](Br)c2sc(Br)cc2Br)CC1 2039353224 DAUDBJQIKLLJCQ-JOYOIKCWSA-N 459.085 7.316 50 10 JKGE Cc1c(C=C(C#N)c2nc3ccccc3[nH]2)c2ccccc2n1CC(=O)Nc1ccc2c(c1)OCO2 2040470113 FEFNMGHVTLWYKO-UHFFFAOYSA-N 475.508 5.258 50 10 JKGE Cc1c(Br)cc(CBr)cc1S(=O)(=O)N(Cc1ccccc1)CC(C)C 2059287309 WHOWSUDBZJMVBJ-UHFFFAOYSA-N 489.273 5.499 50 10 JKGE Cc1cc(Br)c([C@@H](Br)C(C)(C)CC(F)(F)F)cc1Br 2089031109 UEHUMOBBVKKAIS-LLVKDONJSA-N 466.961 6.935 50 10 JKGE C[C@H](Br)C[C@@H]1CCCCN1Cc1ccc(Br)cc1Br 2092261129 NBKDBEDXIPPHDV-FZMZJTMJSA-N 454.044 5.740 50 10 JKGE CC(C)(C)c1ccc([C@@H](Br)c2csc(Br)c2Br)cc1 2093942606 WHDFHMSJPJUIIR-GFCCVEGCSA-N 467.064 7.055 50 10 JKGE CC(C)(C)CN(CCBr)C(=O)c1c(Br)cccc1Br 2094095942 RSOXAWIPRMHQCX-UHFFFAOYSA-N 456.016 5.095 50 10 JKGE CC(C)[C@@H]1CN(c2c(CCl)ccc(Br)c2Cl)CCN1Cc1ccccc1 2098112247 ZWQUMFXERACBKD-IBGZPJMESA-N 456.255 6.188 50 10 JKGE ClCc1nc2cc(Cl)c(Br)cc2n1C1[C@@H]2CN(Cc3ccccc3)C[C@@H]12 2112691942 ZZSJZBUADKIJRO-ZIAGYGMSSA-N 451.195 5.494 50 10 JKGE Fc1c(Cl)cccc1C[C@@H](Br)c1c(Br)cccc1Br 2113468946 TZKVTPUNUHFDBP-LLVKDONJSA-N 471.389 6.683 50 10 JKGE ClC[C@H](Cc1cc(Br)ccc1Br)c1ccccc1Br 2118525859 YPXBUXFCNLHPHU-NSHDSACASA-N 467.426 6.539 50 10 JKGE O=C(N[C@@H](CBr)c1ccsc1)c1cc(Br)cc(Br)c1 2119038375 IPWAQROWFULFRC-LBPRGKRZSA-N 468.008 5.139 50 10 JKGE CO[C@]1(C(F)(F)F)C[C@H]([C@@H](Br)c2cc(Br)sc2Br)C1 2125552184 UCTLXGCTCSYDIS-RHFNHBFPSA-N 486.973 6.067 50 10 JKGE Cc1cc(Br)c([C@H](Br)C23CCCC2CCC3)cc1Br 2127344662 RNRATXPWMZITBY-AJQRCPHMSA-N 451.040 6.926 50 10 JKGE Cc1cc(Br)c(C)c([C@H](Br)C[C@@H](C)C(C)(C)C)c1Br 2136380134 RQCOOGDFNWOKSO-ZWNOBZJWSA-N 455.072 7.337 50 10 JKGE COc1cc(F)c([C@H](Br)c2ccccc2OCc2ccccc2)cc1Br 2138158777 FLXBHFPYDPVPEP-OAQYLSRUSA-N 480.171 6.660 50 10 JKGE FC1(F)C[C@]12CC[C@H]([C@H](Br)c1ccc(Br)cc1Br)C2 2138859182 AOSQQAPXPNFXSQ-AQUOVQTQSA-N 458.966 6.473 50 10 JKGE COc1c(Br)cc(C)cc1[C@H](Br)c1cc(Br)sc1C 2139015969 ZAQHMGBPBZCRSN-CYBMUJFWSA-N 469.036 6.383 50 10 JKGE C[C@@H]1Cc2cc([C@H](Br)c3ccccc3OCc3ccccc3)cc(Br)c2O1 2146624797 DPUKPZPGOYKFBB-QRQCRPRQSA-N 488.219 6.836 50 10 JKGE Fc1cc(Br)cc([C@@H](Br)c2cc(Br)c3c(c2)CCO3)c1 2146628495 OEVZFOJJUNZFJB-AWEZNQCLSA-N 464.954 5.770 50 10 JKGE CC(C)(C)OC(=O)N[C@@H]1CN(CC2(CBr)CCCCCC2)C[C@@H]1C(F)(F)F 2163057683 DFFLVZCLWCGUKX-LSDHHAIUSA-N 457.375 5.109 50 10 JKGE FC1(F)[C@H]2C[C@@H](COc3c(Br)cc(Br)cc3CBr)C[C@H]21 2164311948 DTPAMEQXMDIGRH-FJPPDTINSA-N 474.965 5.777 50 10 JKGE C[C@H](Cl)c1nc2cc(Cl)c(Br)cc2n1[C@@H]1C[C@@H](C)N(Cc2ccccc2)C1 2169011191 YHLZHQOJDPKSKR-IJEWVQPXSA-N 467.238 6.588 50 10 JKGE COc1ccc([C@H](Cl)c2cc(Br)c(Cl)s2)c(OC)c1Br 2172568979 IIPWHIYRTJTCDX-NSHDSACASA-N 461.002 6.272 50 10 JKGE Cc1c(Br)sc([C@@H](Cl)C23CC(C2)[C@@H](C(F)(F)F)O3)c1Br 2193094787 ROVNOASFOPMJMT-SVSDSHHISA-N 454.533 5.971 50 10 JKGE C[C@@H]1OCC[C@H]1CCC(CBr)(CBr)c1ccc(Br)cc1 2196312974 DJEZTSIAJITQEV-QWHCGFSZSA-N 469.055 5.682 50 10 JKGE Cc1cc(Br)c(C)c([C@H](Br)[C@@H]2C[C@]2(C)C(F)(F)F)c1Br 2201078560 PCNMWLBWCRGOQK-CKLFPEKLSA-N 478.972 6.853 50 10 JKGE COc1cc(F)c([C@@H](Cl)c2c(Br)cccc2Br)cc1Br 2202902182 MWXZEXNZRXFWBC-CQSZACIVSA-N 487.388 6.450 50 10 JKGE Cc1c(Br)ccc([C@@H](Br)C23CC(C)(C2)OC3(C)C)c1Br 2203683967 FWCIOVMCCUQQTR-IUDNXUCKSA-N 467.039 6.304 50 10 JKGE Cc1c(Br)ccc([C@H](Br)[C@@H]2C[C@@H]2c2ccccc2)c1Br 2203689894 ZVMOZIDWYOHKMI-CPUCHLNUSA-N 459.019 6.760 50 10 JKGE Cc1sc(Br)c(C)c1[C@H](Br)c1ccc(F)c(Br)c1 2218801893 ZNDMBUIZDBUTAF-GFCCVEGCSA-N 457.000 6.513 50 10 JKGE CCn1ncc(Br)c1[C@H](Br)c1c(C)sc(Br)c1C 2218810367 MZLMAPIKCHNPKU-SNVBAGLBSA-N 457.029 5.591 50 10 JKGE Cc1cc(C(=O)N(C)C[C@@H](Br)COCc2ccccc2)cc(C)c1Br 2220195437 LHBOFCLIKRQBGL-GOSISDBHSA-N 469.217 5.118 50 10 JKGE Cc1ccc(I)c([C@@H](Br)Cc2cccc(Br)c2)c1 2224056690 AQYAHFFBQZDZHW-AWEZNQCLSA-N 479.981 6.041 50 10 JKGE ClCc1ccc(Br)c(Cl)c1N1C[C@@H]2CCC[C@H](C1)N2Cc1ccccc1 2226342109 TYYKIGMUSRBAKI-HDICACEKSA-N 454.239 6.085 50 10 JKGE FC1(F)[C@H]2CCC[C@@H]1C[C@H]([C@H](Br)c1cc(Br)sc1Br)C2 2233638491 KSVQYWJUJYWMDM-NHRVJRKFSA-N 493.049 7.171 50 10 JKGE COc1ccc([C@@H](Br)c2cc3cscc3s2)cc1I 2269553542 CQCYALDPPGEOFU-CQSZACIVSA-N 465.175 6.060 50 10 JKGE Fc1cc(Br)c(F)c(Br)c1[C@H](Br)C1(CC2CC2)CC1 2272729119 NRJZMPYJFPPYAF-ZDUSSCGKSA-N 458.966 6.506 50 10 JKGE CC1(C)C[C@H]1CC[C@H](Br)c1c(F)cc(Br)c(F)c1Br 2272855268 LEVAPGFGOQDQOG-SFYZADRCSA-N 460.982 6.752 50 10 JKGE COc1cc(Cl)c([C@@H](Br)c2c(F)cccc2I)cc1Cl 2282888590 PAFBMZRLMYKHDR-CQSZACIVSA-N 489.937 6.230 50 10 JKGE N#CC(=Cc1cccc2ccccc12)C(=O)Nc1ncc(Cc2ccc(Cl)c(Cl)c2)s1 2293038727 WOGHRKJDNRERTN-UHFFFAOYSA-N 464.377 6.740 50 10 JKGE N#CC(=Cc1c(OCc2ccccc2)ccc2ccccc12)S(=O)(=O)c1ccc(Cl)cc1 2293190894 SSMBGZSVBUCXST-UHFFFAOYSA-N 459.954 6.411 50 10 JKGE N#CC(=Cc1ccc(OCc2c(F)cccc2Cl)cc1)C(=O)Nc1ccc(C(=O)O)cc1 2293779433 GAPHSBAACJVZIH-UHFFFAOYSA-N 450.853 5.302 50 10 JKGE CCOc1ccc([C@H](Br)Cc2cc(Br)cc(Br)c2)cc1 2295275617 WRSKIJRZZZOPRX-MRXNPFEDSA-N 463.007 6.289 50 10 JKGE COc1c(Br)cc(Cl)c(C)c1[C@@H](Br)c1cc(Br)oc1C 2295361263 YWUXQDMUVFRSSE-ZDUSSCGKSA-N 487.413 6.568 50 10 JKGE COC(=O)c1c(NC(=O)C(C#N)=Cc2ccc(-c3cccc([N+](=O)[O-])c3)o2)sc2c1CCCC2 2296818092 JJTVNYFZMDKJDW-UHFFFAOYSA-N 477.498 5.127 50 10 JKGE N#CC(=Cc1ccc(-c2cccc(C(F)(F)F)c2)o1)c1nc(-c2cccc([N+](=O)[O-])c2)cs1 2297369472 NYCYKDWCIYCTGG-UHFFFAOYSA-N 467.428 7.061 50 10 JKGE COc1cc(C=C(C#N)c2nc3ccccc3[nH]2)cc(Br)c1OCc1ccccc1 2297709208 LIHMZRUCRNJIPH-UHFFFAOYSA-N 460.331 5.977 50 10 JKGE CCC[C@@H](CBr)COCc1cc(I)ccc1Br 2302645988 FTBUOMWNILJTGD-JTQLQIEISA-N 475.990 5.382 50 10 JKGE COc1cc(C=C(C#N)C(=O)Nc2cccc(Cl)c2Cl)cc(Br)c1OC(C)=O 2313630687 DUCMKBALTAEJCJ-UHFFFAOYSA-N 484.133 5.235 50 10 JKGE N#CC(=Cc1ccc(-c2cc(Cl)ccc2Cl)o1)C(=O)Nc1cc(Cl)cc(Cl)c1 2314487216 FQBZWKICIRRRBR-UHFFFAOYSA-N 452.124 7.106 50 10 JKGE CC(C)C[C@H](C(C)C)[C@H](Br)c1ccc(OCc2ccccc2)cc1Br 2314503982 YBVKZJUZZZBYAF-IFMALSPDSA-N 468.273 7.782 50 10 JKGE CC1(C)CC[C@H]1[C@@H](Br)c1c(Cl)cc(Br)c(F)c1Br 2315447090 JVSYBOPUXYAVSU-QUBYGPBYSA-N 463.410 6.876 50 10 JKGE Cc1cc(Cl)c(Cl)cc1[C@@H](Br)c1sc(Cl)cc1I 2316768636 AXAAPNYHDSOGQH-LLVKDONJSA-N 496.422 7.106 50 10 JKGE Brc1cc([C@H](Br)[C@@H]2COC3(CCC3)CO2)sc1Br 2316805655 WXMJZLKWASLNOX-WCBMZHEXSA-N 461.013 5.047 50 10 JKGE Cc1c(Br)sc([C@H](Br)[C@@H]2CC[C@H]2C(C)(C)C)c1Br 2320101152 MLSLVCZDMKUPTG-FXPVBKGRSA-N 459.085 7.090 50 10 JKGE CCN(C[C@](C)(CI)OC[C@@H]1CC[C@H]1C(C)(C)C)C(=O)OC(C)(C)C 2320182338 OMOKRZDENVMCRG-YRNRMSPPSA-N 467.432 5.526 50 10 JKGE CC(C)N(C=C(C#N)C(=O)N1CCN(C(c2ccccc2)c2ccccc2)CC1)Cc1ccccc1 2324598982 XUGNIYNAQFPLJU-UHFFFAOYSA-N 478.640 5.238 50 10 JKGE Cc1cc(Cl)ccc1NC=C(C#N)C(=O)N1CCN(C(c2ccccc2)c2ccccc2)CC1 2324605348 MNTDQCUFUNBPTD-UHFFFAOYSA-N 471.004 5.402 50 10 JKGE ClCCCCCCCC#Cc1sc(Br)c(Br)c1Br 2327874943 LCYRDVNKFVHEBF-UHFFFAOYSA-N 477.487 6.967 50 10 JKGE Clc1ccc(I)c(CN2[C@H]3CCC[C@H]3C[C@@H]2CBr)c1 2329613353 WPMBTRUYIQMNMB-ZBINZKHDSA-N 454.577 5.083 50 10 JKGE N#CC(=Cc1cc(Br)ccc1OCc1ccc(Cl)c(Cl)c1)c1ccccn1 2331070816 NDQIUSMUSTYMIY-UHFFFAOYSA-N 460.158 6.794 50 10 JKGE N#CC(=C(O)c1ccc(N2C(=O)c3ccccc3C2=O)cc1)c1nc(-c2cccc([N+](=O)[O-])c2)cs1 2331232268 GJLHZGHYZVTUMJ-UHFFFAOYSA-N 494.488 5.469 50 10 JKGE CCOc1ccc(CCC(O)=C(C#N)c2nc(-c3cccc(Br)c3)cs2)cc1OC 2331279196 UZMXGLPHZJLDEI-UHFFFAOYSA-N 485.403 6.405 50 10 JKGE COc1cc(C=CC(O)=C(C#N)c2nc(-c3ccc([N+](=O)[O-])cc3)cs2)ccc1OC(C)=O 2331281192 RMTFFDWPWHQXJM-UHFFFAOYSA-N 463.471 5.158 50 10 JKGE N#CC(=C(O)[C@H]1CC(=O)N(Cc2ccccc2)C1)c1nc(-c2ccc(Cl)c(Cl)c2)cs1 2331311758 VEXLGECXIZGGOI-INIZCTEOSA-N 470.381 5.958 50 10 JKGE COc1ccc(-c2csc(C(C#N)=C(O)[C@@H]3CC(=O)N([C@@H](C)c4ccccc4)C3)n2)c(C)c1C 2331362270 QJMNXPIVZSMEEK-AZUAARDMSA-N 473.598 5.838 50 10 JKGE COc1cc(-c2csc(C(C#N)=C(O)C=Cc3ccc(C(C)C)cc3)n2)c(OC)cc1Cl 2331376965 QBNCIAAIWUMEGO-UHFFFAOYSA-N 466.990 7.110 50 10 JKGE COc1ccc(-c2csc(C(C#N)=C(O)[C@H]3CC(=O)N([C@H](C)c4ccccc4)C3)n2)c(OC)c1 2331385481 HQBYIROUSBKQDD-AEFFLSMTSA-N 475.570 5.230 50 10 JKGE Cc1ccc(C(C)(C)C)cc1-c1csc(C(C#N)=C(O)[C@@H](C)Oc2ccccc2C(C)C)n1 2331397122 KEJWSRDXAXGPLY-LJQANCHMSA-N 460.643 7.800 50 10 JKGE COc1ccc(-c2csc(C(C#N)=C(O)c3ccc4c(c3)C(=O)N(C(C)C)C4=O)n2)c2ccccc12 2331405170 YZHBOWXAWLAFDR-UHFFFAOYSA-N 495.560 5.926 50 10 JKGE CCOc1ccc(C=C(C(=O)Nc2sc(C(C)=CC#N)c(C)c2C(=O)OC)c2ccccc2)cc1 2331560165 DBDKEDOPOVXDMV-UHFFFAOYSA-N 486.593 6.348 50 10 JKGE BrCc1cc(Br)cc(Br)c1OC[C@@H]1C[C@H]2CC[C@@H]1C2 2334638696 YTFXSUXFDSEHQC-UMNHJUIQSA-N 453.012 5.922 50 10 JKGE Brc1cc(Br)cc(C[C@@H](Br)C[C@H]2CCC[C@@H]3C[C@H]23)c1 2335066653 PQHAERDHOGMVSI-BRXULGCHSA-N 451.040 6.344 50 10 JKGE Cc1cc([C@H](Cl)c2c(F)cc(Cl)c(Br)c2Cl)sc1Br 2335293030 CRAYNXFBDXZCFS-JTQLQIEISA-N 467.412 7.356 50 10 JKGE Cc1c(Br)ccc([C@H](Br)[C@H]2COC3(C)CC2C3)c1Br 2337686924 VKLTWZSDEFCVOH-PQVGHKBNSA-N 453.012 5.771 50 10 JKGE Cc1cccc([C@@H](Br)c2c(C)cc(Br)c(F)c2Br)c1 2339645602 JOCKDVKCHHXVFI-CYBMUJFWSA-N 450.971 6.452 50 10 JKGE Cc1cc(Br)c(F)c(Br)c1[C@@H](Br)C1CC2(COC2)C1 2339656566 PBFOKQBJQDWYPL-NSHDSACASA-N 456.975 5.522 50 10 JKGE Cc1cc(Br)c(F)c(Br)c1[C@@H](Br)[C@H]1CCC(F)(F)C1 2339657991 DIMRXEDDODEOMI-XVKPBYJWSA-N 464.945 6.531 50 10 JKGE Fc1c(Br)cc(Cl)c([C@H](Br)[C@@H]2CC3CCC2CC3)c1Br 2362229634 LAFHMWIFYWFKOH-KCPFVSANSA-N 489.448 7.266 50 10 JKGE CCCc1sc(Br)cc1[C@H](Br)c1ccc(OC)cc1Br 2363274188 YVKHCVJUIULTQU-OAHLLOKOSA-N 483.063 6.719 50 10 JKGE CC[C@H]([C@H](Br)c1c(C)cc(Br)c(OC)c1Br)C(C)(F)F 2365192377 BRJBRRFMVDRIJY-KCJUWKMLSA-N 478.997 6.646 50 10 JKGE Cc1cc(N(C)Cc2c(Br)cccc2Br)ncc1CBr 2366184807 NOWLAKAHFJMQRV-UHFFFAOYSA-N 463.011 5.446 50 10 JKGE Clc1ccc(CN2C[C@H](CBr)C3(CCCC3)C2)c(I)c1 2366702780 VMPZYMRUYQMUAV-ZDUSSCGKSA-N 468.604 5.332 50 10 JKGE FC1(F)CC2(C1)CC(CBr)(Cc1ccc(Cl)cc1I)C2 2366730221 SQMIULPBEGSKQH-UHFFFAOYSA-N 475.542 6.078 50 10 JKGE CCOc1ccc(-c2c(C)sc(NC(=O)/C(C#N)=C/c3ccc(C(C)C)cc3)c2C(=O)OC)cc1 1974870 MJORABUEZIAHTI-PXLXIMEGSA-N 488.609 6.578 50 10 JKGE CCCCCCOc1ccc(C(=O)NNC(=O)Cc2ccc(Cl)cc2)cc1Br 14640799 ZWGXIEWYPIVOOU-UHFFFAOYSA-N 467.791 5.065 50 10 JKGE COc1cc(/C=C(/C#N)c2ccccc2F)ccc1OC(=O)c1ccccc1Br 31901716 SCSHUEQEFVLPTQ-VBKFSLOCSA-N 452.279 5.880 50 10 JKGE N#C/C(=C\c1cn(-c2ccccc2)nc1-c1ccc(OCc2ccccc2)cc1)C(=O)N1CCCCC1 33383304 SHOZKYIBGPDQCB-LHLOQNFPSA-N 488.591 6.038 50 10 JKGE CCOc1cc(/C=C(/C#N)C(=O)NCc2ccco2)ccc1OCCOc1ccc(Cl)c(C)c1 33722540 UHGRUVYGCUDCJR-ZHZULCJRSA-N 480.948 5.321 50 10 JKGE CCCCCN1C(=O)C(C#N)=C(C)/C(=C\c2ccc(OCc3ccccc3)c(OCC)c2)C1=O 38603925 XAGNUQDIRDBLRN-XQNSMLJCSA-N 458.558 5.447 50 10 JKGE CCSc1ccc(-c2nn(-c3ccccc3)cc2/C=C2/C(=O)N(C(C)C)C(=O)C(C#N)=C2C)cc1 38604372 OHICFGWJODLDRA-BUVRLJJBSA-N 482.609 5.652 50 10 JKGE COc1ccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)COc4ccc(C(C)(C)C)cc4)ccc32)cc1 38650372 OEMNWUHNQYIQEE-MHZLTWQESA-N 484.552 5.195 50 10 JKGE Cc1cc2oc(C(=O)Oc3ccc4c(c3)OC(N)=C(C#N)[C@@H]4c3cccc(Cl)c3)c(C)c2cc1C 38687698 ODOSQHRHOHQIEG-RUZDIDTESA-N 484.939 6.449 50 10 JKGE COc1cc(/C=N/NC(=O)COc2cc(C)ccc2C(C)C)ccc1OCc1ccccc1Cl 40846824 LIQKSRZMOZUQJN-WKULSOCRSA-N 480.992 5.889 50 10 JKGE COc1cc(/C=N/NC(=O)COc2cc(C)ccc2C)ccc1OCc1ccc(Cl)cc1 40911124 IHNUHDNPUZGRFC-MZJWZYIUSA-N 452.938 5.074 50 10 JKGE COc1cc(/C=C\C#N)ccc1OC(=O)COc1c(Cl)c(Cl)c(Cl)c(Cl)c1Cl 41016764 KTLVKNWIADOVQR-IHWYPQMZSA-N 481.546 6.483 50 10 JKGE O=C(COc1ccc(C2CCCCC2)cc1)N/N=C1/C(=O)N(Cc2ccccc2)c2ccccc21 59148567 PVMBJLYBEBNFPU-CCFHIKDMSA-N 467.569 5.180 50 10 JKGE Cc1ccc(-c2ccccc2)n1-c1ccc(C(=O)N/N=C/c2ccc(-c3ccc(Cl)cc3)o2)cc1 59303679 KVZJJQUOKAUMJX-ZCTHSVRISA-N 479.967 7.130 50 10 JKGE Cc1ccc(NC(=O)/C(C#N)=C\c2cc(Cl)c(OCc3ccc(Cl)cc3)c(Cl)c2)cc1 59335262 CMRNGOIAMHFQRU-ZDLGFXPLSA-N 471.771 7.080 50 10 JKGE CCOc1cc(/C=C(\C#N)C(=O)Nc2cccc(C)c2C)cc(I)c1OCC 59474949 NKOHXQFYAWPAPJ-LICLKQGHSA-N 490.341 5.251 50 10 JKGE COc1ccc([C@@H](C(=O)NC2CCCCC2)N(CCC2=CCCCC2)C(=O)CCl)cc1OC 97914572 IQVBETXRFGRBBN-VWLOTQADSA-N 477.045 5.152 50 10 JKGE Cc1ccc(CS/C(Nc2ccc(C(C)C)cc2)=C(/C#N)S(=O)(=O)c2ccccc2)cc1 104689274 WLJDWHIEONFFBL-QPLCGJKRSA-N 462.640 6.630 50 10 JKGE CC(C)(c1ccccc1)[C@@H](Br)c1cc(Br)sc1Br 109869916 IWVRQHQRTWUCQN-LBPRGKRZSA-N 453.037 6.687 50 10 JKGE COc1cc(C)c(Br)cc1[C@@H](Br)c1ccc(Br)cc1F 115867258 WEBPFWKPQMGJAY-HNNXBMFYSA-N 466.970 6.152 50 10 JKGE COc1ccc(Br)cc1[C@@H](Br)c1ccc(Br)c(Cl)c1 148957033 IYCQPYRYPIERAB-AWEZNQCLSA-N 469.398 6.358 50 10 JKGE C[C@](CI)(OCc1ccc(Cl)cc1)c1ccccc1Br 162443576 KOJYRFTUXJGIRO-MRXNPFEDSA-N 465.556 5.970 50 10 JKGE O=C(N/N=C\c1ccc(OCc2ccccc2)c(Cl)c1)c1ccc2[nH]c3c(c2c1)CCCC3 169890132 JIWRXEBNSJWLEZ-MWLSYYOVSA-N 457.961 6.043 50 10 JKGE CCCCCCCCCOc1ccc(/C=N\NC(=O)Nc2cccc(Cl)c2)cc1Cl 169939891 XSQJOBZZKHJJNV-ONUIUJJFSA-N 450.410 7.278 50 10 JKGE CCOc1ccc(C)cc1[C@@H](Br)c1cc(Br)sc1Br 233775517 ALKXUDSQYCHJMZ-CYBMUJFWSA-N 469.036 6.465 50 10 JKGE Cc1cc(Cl)ccc1[C@@H](Br)c1cc(Br)c(Br)s1 235826301 HXJNNSJJRWACDQ-LLVKDONJSA-N 459.428 6.719 50 10 JKGE Fc1ccc([C@@H](Cl)c2cc(Br)sc2Br)cc1Br 236209196 MTAKGXPRBAWFPI-SNVBAGLBSA-N 463.391 6.503 50 10 JKGE CC(=NNC(=O)c1ccoc1C)c1ccc(NC(=O)[C@@H](C)Oc2ccc(Cl)cc2C)cc1 254354879 XSKXOQBMPNTEPZ-QGZVFWFLSA-N 453.926 5.110 50 10 JKGE C/C(C=NNC(=O)c1cc(C(=O)NN=C/C(C)=C/c2ccccc2)c(C)nc1C)=C/c1ccccc1 254745557 KMKWLTQUAQNINI-AMBCNJNRSA-N 479.584 5.337 50 10 JKGE Cc1ccc(-c2nnc(SCC(=O)NN=Cc3ccc(C)s3)n2C2CCCCC2)cc1 254813579 UJPZMPQEENADNW-UHFFFAOYSA-N 453.637 5.371 50 10 JKGE COc1ccccc1/C=C\C=NNC(=O)c1cc(-c2ccccc2OCc2ccccc2)n[nH]1 254851312 KKMSNJGOAMWJCI-IRTYSVGLSA-N 452.514 5.093 50 10 JKGE CC(C)CCOCCOc1c(Br)cc(Br)cc1CBr 311646950 SRALHGGSVRWLNL-UHFFFAOYSA-N 459.016 5.548 50 10 JKGE Fc1cc(F)c(F)c([C@H](Cl)c2cc(I)ccc2Br)c1F 396025915 LXJKFZVHVLWZKA-LLVKDONJSA-N 479.436 5.938 50 10 JKGE Cc1c(Br)cccc1[C@@H](Br)c1c(Br)cc(F)c(F)c1F 398647790 APRKKMKSTMIZJG-GFCCVEGCSA-N 472.924 6.422 50 10 JKGE C[C@H](COc1c(Br)cc(CBr)cc1Br)CC(F)(F)F 402920707 IICLLVPNHKTWLD-ZETCQYMHSA-N 468.933 6.074 50 10 JKGE Cc1cc(C)c([C@H](Br)c2nscc2Br)c(C)c1Br 404756532 BPXYZZNAESUSBA-LBPRGKRZSA-N 454.025 6.078 50 10 JKGE CCCOc1ccc([C@H](Br)c2cscc2Br)cc1Br 404786507 YQEZQLZHJHVQBD-AWEZNQCLSA-N 469.036 6.546 50 10 JKGE CC(=O)O[C@H]1CC[C@@]2(C)C(=CC[C@H]3[C@@H]4CC(C=O)=C(n5ncc6ccccc65)[C@@]4(C)CC[C@@H]32)C1 685945321 BXULLBPXEVZEHH-UMALJDHNSA-N 458.602 5.951 50 10 JKGE ClCc1nc2cc(I)ccc2n1CCc1sccc1Br 713036054 QUCGHGWTJINHGF-UHFFFAOYSA-N 481.584 5.446 50 10 JKGE CN(C[C@H]1CCCN(Cc2ccccc2)C1)c1cc(Br)ccc1CBr 720015600 BFJXUPWXUQXCLR-GOSISDBHSA-N 466.261 5.692 50 10 JKGE Cl[C@H](c1ccc(I)c(Br)c1)c1ccc2c(c1)OCCO2 721570706 ATTOIVCAJBIWQJ-OAHLLOKOSA-N 465.512 5.153 50 10 JKGE CCc1ccc([C@H](Cl)c2ccc(I)c(Br)c2)cc1CC 721574263 XITBLCOZQQCVLR-KRWDZBQOSA-N 463.584 6.507 50 10 JKGE N#C/C(=C/c1cc(Br)ccc1OCc1cccc(Cl)c1)C(=O)Nc1ccccc1 1084077549 BWVZQAUVPITJGM-PDGQHHTCSA-N 467.750 6.227 50 10 JKGE COc1cc(OC)c(OC)cc1C=NNC(=O)c1ccc(-n2c(C)ccc2-c2ccccc2)cc1 1084312198 ZZBUGWNINUHHOC-UHFFFAOYSA-N 469.541 5.242 50 10 JKGE Cc1ccc(C(=O)O)cc1-n1c(C)cc(/C=C(\C#N)C(=O)Nc2cccc(Cl)c2Cl)c1C 1084432457 RZMLZJWQHQEPPN-VCHYOVAHSA-N 468.340 5.953 50 10 JKGE COc1ccccc1C(=O)NN=C1CCCc2oc(C(=O)Nc3ccccc3C(F)(F)F)c(C)c21 1772745904 KEOHZAIDDUFIAN-UHFFFAOYSA-N 485.462 5.338 50 10 JKGE CCCn1nc(-c2ccccc2)c2c1OC(N)=C(C#N)[C@H]2c1ccc(OCc2ccccc2)c(OC)c1 1865687714 YOYCTTVNDHJYGZ-AREMUKBSSA-N 492.579 5.766 50 10 JKGE CCc1nn(C)c2c1[C@H](c1ccc(OCc3c(Cl)cccc3Cl)c(OC)c1)C(C#N)=C(N)O2 1865689239 NCCYIIJSTRJQFJ-OAQYLSRUSA-N 485.371 5.095 50 10 JKGE CCCCOc1ccc([C@H]2C(C#N)=C(N)Oc3c2c(-c2ccc(OC)cc2)nn3CC(C)C)cc1 1865689686 CKWBTIPZCJPJGG-DEOSSOPVSA-N 472.589 5.612 50 10 JKGE CCCc1nn(CC(C)C)c2c1[C@H](c1ccc(OCc3ccccc3)c(OCC)c1)C(C#N)=C(N)O2 1865694384 UMFMBGODEPWWMC-AREMUKBSSA-N 486.616 5.687 50 10 JKGE CCCOc1cccc([C@H]2C(C#N)=C(N)Oc3c2c(CC)nn3-c2ccc(Cl)c(Cl)c2)c1 1865694497 WNZDPQUALBPCEF-NRFANRHFSA-N 469.372 5.748 50 10 JKGE CCCn1nc(-c2ccccc2)c2c1OC(N)=C(C#N)[C@H]2c1ccc(OC(=O)c2ccccc2)cc1 1865705027 KHPRLOFJVULCOD-XMMPIXPASA-N 476.536 5.397 50 10 JKGE COc1ccc(-c2nn(-c3ccccc3Cl)c3c2[C@H](c2ccc([N+](=O)[O-])cc2)C(C#N)=C(N)O3)cc1 1865713034 PAPYQRAVRSYHRS-JOCHJYFZSA-N 499.914 5.328 50 10 JKGE Cc1ccc(Cn2nc(C(F)(F)F)c3c2OC(N)=C(C#N)[C@H]3c2ccc(Br)cc2)cc1 1865714975 SBFPBQOZVLGZOY-QGZVFWFLSA-N 489.295 5.239 50 10 JKGE CCc1ccc(-c2ccc(C(=O)NNC(=O)CCCOc3ccc(Cl)cc3Cl)c(C)n2)cc1 1865758901 XCIBKLJSJNARTG-UHFFFAOYSA-N 486.399 5.546 50 10 JKGE N#CSc1ccc(NC(=O)[C@H](NC(=O)C[C@@H](c2ccccc2)C2CC2)c2ccccc2)cc1 1866720563 OENOFXXDUVFFEQ-AZGAKELHSA-N 455.583 5.640 50 10 JKGE Cc1ccccc1-c1nc(Nc2ccc(SC#N)cc2)cc(N2CCO[C@H](c3cccnc3)C2)n1 1868300851 JEOZFONTJANHRC-DEOSSOPVSA-N 480.597 5.742 50 10 JKGE CCCc1nc(Nc2ccc(SC#N)cc2)cc(N2[C@@H](Cc3ccccc3)COCC2(C)C)n1 1868389517 WYFBPCWKBIXZHP-QFIPXVFZSA-N 473.646 5.972 50 10 JKGE N#C/C(=C(/O)Cc1ccc(OCc2ccccc2)cc1)c1nc(-c2ccc3c(c2)OCO3)cs1 1872750676 KBHMPUOXRSEUBS-GYHWCHFESA-N 468.534 6.153 50 10 JKGE COc1c(Cl)cc(Cl)cc1-c1csc(/C(C#N)=C(\O)c2cc([N+](=O)[O-])cc([N+](=O)[O-])c2)n1 1872754316 NEHAJASISWOUKJ-VKAVYKQESA-N 493.284 5.892 50 10 JKGE COc1ccc(C/C(O)=C(\C#N)c2nc(-c3cc(Cl)cc(Cl)c3OC)cs2)cc1OC 1872754375 PVRYCCXNFVIUMM-SDXDJHTJSA-N 477.369 6.178 50 10 JKGE Cc1ccc(C(C)(C)C)cc1-c1csc(/C(C#N)=C(\O)c2ccc3c(c2)C(=O)N(C(C)C)C3=O)n1 1872755993 PJGZOCQYAUJXPA-GYHWCHFESA-N 485.609 6.370 50 10 JKGE COc1ccc(-c2csc(/C(C#N)=C/c3ccccc3OCc3ccc(Cl)cc3)n2)cc1C 1872781234 ZQMQQYLGTRJVIW-HYARGMPZSA-N 472.997 7.424 50 10 JKGE COc1c(C)cc(C)cc1-c1csc(/C(C#N)=C/c2ccc(OCc3ccc(Cl)cc3)cc2)n1 1872792542 FCWTWIGKPVYDKU-HYARGMPZSA-N 487.024 7.732 50 10 JKGE COc1cc(-c2csc(/C(C#N)=C/c3cc(OC)c(OC)c(OC)c3)n2)c(OC)cc1Cl 1872793448 AKFHMAUROAUUDO-MKMNVTDBSA-N 472.950 5.571 50 10 JKGE C[C@H](CCBr)N(Cc1ccccc1)Cc1sccc1I 1888203319 KPVXOQBMUNLCCX-CYBMUJFWSA-N 464.210 5.528 50 10 JKGE ClCC[C@@H](COCc1ccccc1)NCc1cc(I)ccc1Cl 1905040314 KDRDYVFQOJQOBO-KRWDZBQOSA-N 464.174 5.249 50 10 JKGE C[C@@H](CCBr)N(Cc1ccccc1)S(=O)(=O)c1ccc(Cl)c(C(F)(F)F)c1 1915108989 DCDYJBSQOLGXMS-ZDUSSCGKSA-N 484.765 5.723 50 10 JKGE Cc1c(Br)sc([C@@H](Br)C2C[C@H]3CC[C@H](C2)C3)c1Br 1922932518 MOANFUJOQHNVSF-AUTRQRHGSA-N 457.069 6.844 50 10 JKGE C[C@@H]1CC[C@@](C)([C@H](Br)c2c(Br)sc(Br)c2Cl)C1(C)C 1923037444 DDAPSYSGAJSUML-LXORQNMDSA-N 493.530 7.825 50 10 JKGE Clc1cccc([C@H](Cl)c2c(Br)sc(Br)c2Cl)c1Cl 1923041004 XYJBJGHGPCCZAY-QMMMGPOBSA-N 469.840 7.562 50 10 JKGE FC(F)c1cscc1[C@H](Br)c1c(Cl)sc(Br)c1Cl 1925562220 VYSURDLRBHWGDK-LURJTMIESA-N 456.986 7.301 50 10 JKGE Fc1c(Cl)cccc1[C@H](Br)c1c(Cl)sc(Br)c1Cl 1925586737 CMIJXOSKEYCMSP-ZETCQYMHSA-N 453.385 7.094 50 10 JKGE Clc1c(Br)cccc1CN(Cc1ccccc1)C1(CBr)CCC1 1979516713 AOJBFFAYNYGEQJ-UHFFFAOYSA-N 457.637 6.422 50 10 JKGE Cc1ccc([C@H](Br)c2ccc(Br)cc2I)s1 1995285810 KXTSNICDMPCHET-GFCCVEGCSA-N 471.983 5.908 50 10 JKGE Clc1c(Br)sc(Br)c1[C@H](Br)[C@@]12CCOC[C@H]1C2 2018506924 HCKFLOBHIUPMJK-ROXVQFJHSA-N 465.432 5.789 50 10 JKGE Cc1cc(C(F)(F)F)cc(-n2nc(CBr)c(Br)c2C(F)(F)F)n1 2078912480 PRFRLFRYZVHFJQ-UHFFFAOYSA-N 467.005 5.271 50 10 JKGE COc1c(C)cc(Br)cc1[C@H](Br)c1nscc1Br 2085627632 JLCCYSPVUQUEHI-JTQLQIEISA-N 455.997 5.469 50 10 JKGE COc1ccc(Br)c(CC(CBr)(CBr)C2CCC2)c1 2089704362 CJRJYCOPWNNDQU-UHFFFAOYSA-N 455.028 5.577 50 10 JKGE BrC[C@]1(Cc2ccc(Br)cc2Br)CCO[C@H]1C1CC1 2092259954 CCHJXRMTPJXISY-LSDHHAIUSA-N 453.012 5.334 50 10 JKGE C[C@H](N(Cc1ccccc1)S(=O)(=O)c1ccc(CCl)cc1Br)C(C)(C)C 2095913322 TVGPDOKOSBPJIM-HNNXBMFYSA-N 458.849 5.813 50 10 JKGE Fc1cc(Br)c([C@@H](Br)c2scc(Cl)c2Cl)c(F)c1F 2096224048 LFTSIEKSSGXZBE-SSDOTTSWSA-N 454.920 6.719 50 10 JKGE COc1ccc([C@H](Cl)c2c(Br)sc(Br)c2Cl)cc1Cl 2107098253 HKRUCMJVZXDWHW-VIFPVBQESA-N 465.421 6.917 50 10 JKGE COc1ccc([C@@H](Br)c2c(Cl)cccc2Br)c(Br)c1 2113159807 XQTXPAAFZLRKEP-CQSZACIVSA-N 469.398 6.358 50 10 JKGE Cl[C@@H](CCc1c(Br)cccc1Br)c1cccc(Br)c1 2113441732 KRDVYAAFRVGPRT-HNNXBMFYSA-N 467.426 6.887 50 10 JKGE Fc1ccc(CC[C@H](Br)c2ccc(Br)cc2)cc1Br 2113490275 AKJLBKKMDSMYAT-ZDUSSCGKSA-N 450.971 6.420 50 10 JKGE CC(C)[C@@H](C)N(Cc1ccccc1)S(=O)(=O)c1cc(Cl)cc(CBr)c1Cl 2123267060 CEWJWOGXLVXKSO-CQSZACIVSA-N 479.267 6.124 50 10 JKGE Cc1cc(Br)c(C)c([C@@H](Br)[C@H]2CC3(CC3)CO2)c1Br 2136376145 CBHOVHOXUNJGOO-RISCZKNCSA-N 453.012 5.834 50 10 JKGE ClC[C@H](Cc1ccc(I)c(Cl)c1)c1cccc(Br)c1 2142940746 PTQJVVQEDXTIHA-LBPRGKRZSA-N 469.975 6.272 50 10 JKGE Cc1cc2sc([C@@H](Cl)c3cc(Br)c(C)cc3Br)cc2s1 2156565391 SDQNQYIYMCBTBI-HNNXBMFYSA-N 450.648 7.433 50 10 JKGE ClCc1nc2cc(Br)c(Cl)cc2n1-c1ccc(OCc2ccccc2)cc1 2159871654 LPTLTXYQPAXTFJ-UHFFFAOYSA-N 462.174 6.759 50 10 JKGE Cc1cc(Br)c([C@@H](Br)Cc2c(Cl)cccc2Cl)cc1Cl 2161069502 VIKVCCYQPMZFHQ-LBPRGKRZSA-N 457.420 7.396 50 10 JKGE C[C@H](Cl)c1nc2cc(Cl)c(Br)cc2n1[C@H]1CCN(Cc2ccccc2)[C@H]1C 2168999293 QREYCPWSKIKEMC-NJSLBKSFSA-N 467.238 6.588 50 10 JKGE Br[C@H](c1ccc(C2CCCCC2)cc1)c1cc(I)sn1 2176535457 AJGRXMAJHPALLZ-MRXNPFEDSA-N 462.194 6.280 50 10 JKGE CC(C)(C)CN(Cc1ccccc1)S(=O)(=O)c1ccc(OCCCBr)cc1 2179828405 PPNGZMMOZIXLAR-UHFFFAOYSA-N 454.430 5.087 50 10 JKGE Fc1cc(Br)cc(N2CCN(Cc3ccccc3)C[C@H]2C(F)(F)F)c1CCl 2186709850 HPMLKTJYJZXEDP-SFHVURJKSA-N 465.716 5.580 50 10 JKGE COc1cc(C)c([C@@H](Br)Cc2ccc(Br)cc2)cc1Br 2198736810 IQESOSANHTVOAS-AWEZNQCLSA-N 463.007 6.207 50 10 JKGE O=C(c1csc(Br)c1Br)N1C[C@H]2CCC[C@@](CBr)(C2)C1 2199674911 MHWDOYZQNZEXTL-XPTSAGLGSA-N 486.067 5.300 50 10 JKGE CCCN[C@H](c1c(C)c(Br)cc(C)c1Br)[C@H]1C[C@H](Br)C1 2201058554 CRSAUGYBVMVJMF-MKBNYLNASA-N 468.071 6.043 50 10 JKGE Cc1cc(Br)c(C)c([C@H](Br)[C@@]23CCC[C@H]2OCC3)c1Br 2201064362 XSYNKDIWVUJMBG-UHOFOFEASA-N 467.039 6.224 50 10 JKGE Cc1cc(Br)c(C)c([C@H](Br)c2c(C)cccc2C)c1Br 2201070384 BHPHTYUGSVFJEG-QGZVFWFLSA-N 461.035 6.930 50 10 JKGE Cc1cc(Cl)c(Br)cc1[C@@H](Cl)c1cc(Cl)c(C)c(Br)c1 2202357013 QYHFFFNWKKCIMP-HNNXBMFYSA-N 457.420 7.463 50 10 JKGE CCCCc1ccc([C@H](Cl)c2ccc(Br)cc2I)cc1 2207271872 KVKDEWSFTWLMQV-KRWDZBQOSA-N 463.584 6.725 50 10 JKGE O=C(NC1(CCCl)CCCCC1)c1ccc(Br)cc1I 2207276063 SCNPKDFMOAQZEI-UHFFFAOYSA-N 470.576 5.115 50 10 JKGE Cc1cc(Br)c([C@@H](Cl)c2ccccc2OCc2ccccc2)c(C)c1Cl 2224319653 GGVZTCKBBALPEJ-QFIPXVFZSA-N 450.203 7.627 50 10 JKGE CCOc1cc(CCl)cc(Br)c1OC[C@H]1CC1(Br)Br 2224802033 SXGVKXYXEVFBAW-SECBINFHSA-N 477.418 5.471 50 10 JKGE Fc1cc(Br)cc([C@H](Br)Cc2ccc(Br)cc2Cl)c1 2229149909 IGEBWHIPZRWLPM-CYBMUJFWSA-N 471.389 6.683 50 10 JKGE Fc1cc(F)c([C@@H](Cl)c2cc(Cl)ccc2I)c(F)c1Br 2236102591 LLCMTFVYYVBBTN-LBPRGKRZSA-N 495.891 6.453 50 10 JKGE Fc1cccc(Br)c1[C@@H](Br)c1ccc2c(c1Br)CCO2 2238082765 RLZNXMQCZOJUAW-HNNXBMFYSA-N 464.954 5.770 50 10 JKGE Cc1cc([C@@H](Br)c2ccc([C@@H]3CCOC3)s2)ccc1I 2240437726 WIAMKTUMDAWLAA-MLGOLLRUSA-N 463.178 5.649 50 10 JKGE Cc1c(Br)ccc([C@H](Br)[C@@H]2OCC[C@H]2C(F)(F)F)c1Br 2240512682 CLDWEVJYOUAOBL-JFUSQASVSA-N 480.944 5.923 50 10 JKGE CC1(C)[C@H]2CO[C@@]1([C@H](Br)c1c(Br)sc(Br)c1Cl)C2 2260739418 FXWKFKZLDCFNHC-XIGBOZDYSA-N 479.459 6.178 50 10 JKGE Cc1cc(Cl)c(Cl)cc1[C@@H](Br)c1cccc(C)c1I 2264368732 MZMBTYYSVUOPTH-AWEZNQCLSA-N 469.975 6.699 50 10 JKGE COc1cc(OC)c([C@H](Br)c2csc(I)c2)cc1Cl 2264470242 DAMVHYRRECVSKA-CYBMUJFWSA-N 473.557 5.508 50 10 JKGE C[C@H]1C[C@@H]1CCCCOc1c(Br)cc(Br)cc1CBr 2265725897 RXIHYSRXJAQLPX-QWRGUYRKSA-N 455.028 6.312 50 10 JKGE CCc1cc([C@@H](Br)c2cc(Br)c(F)cc2Cl)sc1Br 2270435062 SXWBYWGCBVWDGV-LBPRGKRZSA-N 491.445 7.112 50 10 JKGE Fc1cc(Br)c(F)c(Br)c1[C@H](Br)[C@H]1CC2(CC2)CO1 2272730089 BDHURRHKBQVWQG-PSASIEDQSA-N 460.938 5.495 50 10 JKGE Fc1cc(Br)c(F)c(Br)c1[C@@H](Br)[C@H]1CC2(CC2)CO1 2272730091 BDHURRHKBQVWQG-SCZZXKLOSA-N 460.938 5.495 50 10 JKGE COc1c(Br)cc(Cl)c(C)c1[C@@H](Br)c1sccc1Br 2277902464 YNOAGNOVMLELKW-LLVKDONJSA-N 489.454 6.728 50 10 JKGE CC1(C)C[C@@H](C[C@H](Br)Cc2cc(Br)cc(Br)c2)CO1 2277955109 IFNDNSYWAZWLGW-VXGBXAGGSA-N 455.028 5.723 50 10 JKGE Fc1cc(F)c([C@H](Cl)c2ccc(Cl)c(I)c2)c(F)c1Br 2283582655 KRQGSWKIZMYYNE-GFCCVEGCSA-N 495.891 6.453 50 10 JKGE COc1c([C@@H](Br)c2cc(Cl)sc2Cl)cc(Br)c(C)c1C 2284589971 LPMSZWBRNKDZIC-GFCCVEGCSA-N 459.030 6.927 50 10 JKGE Fc1cc(Br)c(F)c(Br)c1[C@@H](Br)[C@@H]1[C@H]2[C@H]3CC[C@@H](C3)[C@H]21 2288374097 PILIQNCIDSZLJZ-XDWHSOLQSA-N 470.977 6.218 50 10 JKGE COc1cc(C=C(C#N)C(=O)Nc2ccc(Cl)cc2)ccc1Oc1nc(Cl)ncc1F 2296374248 HPKSXDNBGSQVCZ-UHFFFAOYSA-N 459.264 5.269 50 10 JKGE N#CC(=CNc1cc(C(F)(F)F)cc(C(F)(F)F)n1)C(=O)c1cccc(C(F)(F)F)c1 2297564241 KPOSZQDLDSJCHC-UHFFFAOYSA-N 453.264 5.840 50 10 JKGE Brc1ccc(OCc2ccccc2)c([C@@H](Br)CC2CCCCC2)c1 2299491223 DANPVGLJTXRENP-FQEVSTJZSA-N 452.230 7.435 50 10 JKGE CCCC[C@@H](CC)[C@@H](Br)c1ccc(OCc2ccccc2)cc1Br 2299497748 RZMLZJQKAXFXNP-DYESRHJHSA-N 454.246 7.681 50 10 JKGE Brc1ccc(OCc2ccccc2)c([C@H](Br)C2CCCCCC2)c1 2299498485 ZSBULRXPEQVCAG-OAQYLSRUSA-N 452.230 7.435 50 10 JKGE N#CC(=Cc1cn(Cc2ccccc2Cl)c2ccccc12)C(=O)Nc1cccc(Cl)c1Cl 2313571264 RBBOLJMKSDRYLR-UHFFFAOYSA-N 480.782 7.195 50 10 JKGE COc1cc(C=C(C#N)c2nc(O)c3ccccc3n2)ccc1OCC(=O)Nc1cccc(Cl)c1 2314433149 KOJWLWKYZSOPEF-UHFFFAOYSA-N 486.915 5.079 50 10 JKGE COc1ccc(N2C(=O)[C@H](Cc3ccccc3F)SC2=C(C#N)C(=O)Nc2cccc(C)c2)cc1 2314591686 BGNVMYFAIBZEEH-DEOSSOPVSA-N 487.556 5.208 50 10 JKGE CCOc1cc(C=C2C(=O)N(C3CCCC3)C(=O)C(C#N)=C2C)ccc1OCc1ccc(F)cc1 2314617205 STTJJWSYYZGIIW-UHFFFAOYSA-N 474.532 5.338 50 10 JKGE CCCOc1ccccc1[C@@H]1C(C#N)=C(N)Oc2cc(OC(=O)C=Cc3ccc(C)cc3)ccc21 2314634428 RSKWWLNENVVIFQ-NDEPHWFRSA-N 466.537 5.621 50 10 JKGE CCc1ccc(-c2csc(NC(=O)C(C#N)=Cc3ccc(C(C)C)cc3)c2C(=O)OC)cc1 2314792800 FHJCJCRZZWROBM-UHFFFAOYSA-N 458.583 6.433 50 10 JKGE CCCOc1ccccc1C=CC(=O)NNC(=O)c1ccc(-c2ccc(Cl)c(Cl)c2)nc1C 2321178237 ODAMLEYIUDOKDE-UHFFFAOYSA-N 484.383 5.627 50 10 JKGE CC(=NNC(=O)c1ccc(-c2ccc(Cl)cc2Cl)nc1C)c1ccc(Br)cc1 2321276053 LRNZBLGWXAWNLN-UHFFFAOYSA-N 477.189 6.280 50 10 JKGE Cc1ccc(C(=O)NN=Cc2cc(Br)c(OC(C)C)c(Br)c2)cc1 2323076145 ZOHQPGASDYKZTB-UHFFFAOYSA-N 454.162 5.071 50 10 JKGE Brc1cc(CC[C@@H](Br)C[C@H]2CCCO2)ccc1I 2325224506 XVJPJDCNSVUJNH-VXGBXAGGSA-N 488.001 5.319 50 10 JKGE COc1ccc(C=C2Oc3c(ccc(OCc4ccc(CCl)cc4)c3C)C2=O)c(OC)c1OC 2325339771 IFWDOOZSKQEEDJ-UHFFFAOYSA-N 480.944 5.955 50 10 JKGE CCOc1ccc(C=C(C(O)=C(C#N)c2nc(-c3ccc(F)cc3F)cs2)c2ccccc2)cc1 2331286526 DYDKQJWFIPIIKE-UHFFFAOYSA-N 486.543 7.520 50 10 JKGE CCCCc1ccc(N2C[C@@H](C(O)=C(C#N)c3nc(-c4ccc(C(C)(C)C)cc4)cs3)CC2=O)cc1 2331331919 IRPNEZSVMQPDRZ-QFIPXVFZSA-N 499.680 7.296 50 10 JKGE Cc1cc(C)c(-c2csc(C(C#N)=Cc3c(OCc4ccccc4)ccc4ccccc34)n2)c(C)c1 2331478821 YZQGSSDQGIHNGS-UHFFFAOYSA-N 486.640 8.532 50 10 JKGE CS(=O)(=O)C1([C@@H](Br)c2c(Cl)cc(Br)c(F)c2Br)CC1 2337098137 PFPBFQGRZFHMQH-JTQLQIEISA-N 499.421 5.017 50 10 JKGE Cc1cc(Br)c(F)c(Br)c1[C@@H](Br)C1(C(C)(F)F)CC1 2339651634 QZJOTNPDBYAZJC-LLVKDONJSA-N 464.945 6.531 50 10 JKGE CC[C@@H]1CC[C@H]([C@H](Br)c2c(C)cc(Br)c(F)c2Br)O1 2339660000 YHLVIHNYKKBTML-UISBYWKRSA-N 458.991 6.053 50 10 JKGE Clc1cc(Br)c(CC(CBr)(CBr)C2CCOCC2)s1 2345965932 NMVJXBMEUUGAQC-UHFFFAOYSA-N 495.502 5.909 50 10 JKGE CC(C)(C)CCN(CCCl)Cc1ccc(I)c(Br)c1 2349857077 WSCDRFQPXYVQOO-UHFFFAOYSA-N 458.609 5.531 50 10 JKGE BrC1CCC([C@H]2CCN(Cc3sccc3I)C2)CC1 2353247901 CHBMMUNPGWTHAL-CPCZMJQVSA-N 454.215 5.128 50 10 JKGE Clc1cc(CN2[C@H]3CCCC[C@H]3C[C@@H]2CBr)ccc1I 2358955443 VZYRBRRMUWCAGG-ZENOOKHLSA-N 468.604 5.473 50 10 JKGE Cc1cc(Br)c(F)c(Br)c1[C@@H](Br)c1cc2sccc2s1 2365186035 MWDVVCFEGLRNMO-LBPRGKRZSA-N 499.062 7.420 50 10 JKGE Cc1ccc(OCc2ccc(Cl)cc2I)c(CBr)c1Cl 2365647751 MVENPEGMRYYHBD-UHFFFAOYSA-N 485.974 6.380 50 10 JKGE Brc1cccc(Br)c1CO[C@H]1C[C@@H](Br)C12CCCCC2 2366184324 HFSXFGHSYZYWGL-CABCVRRESA-N 467.039 6.215 50 10 JKGE Cc1scc([C@H](Br)c2ccc(Br)c3ccccc23)c1Br 2369587468 PVULTTNYKKYVSM-MRXNPFEDSA-N 475.043 7.219 50 10 JKGE N#C/C(=C/c1ccc(-c2ccc(Br)cc2)o1)C(=O)Nc1cc(C(F)(F)F)ccc1Cl 2671156 YRZXKBKJRXJCMS-LCYFTJDESA-N 495.682 6.927 50 10 JKGE CCCSc1ccc(-c2nn(-c3ccccc3)cc2/C=C(\C#N)c2nc3ccccc3s2)cc1 33709811 RPZIOBJAQFPBMC-HEHNFIMWSA-N 478.646 7.715 50 10 JKGE C=CCc1ccccc1OCCOc1ccc(/C=C(/C#N)C(=O)Nc2ccccc2)cc1OC 34871907 WCSLPMBTCWSZIL-NKFKGCMQSA-N 454.526 5.427 50 10 JKGE CCOc1c(Cl)cc(C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@@H]3c2ccc(C)cc2)cc1Cl 38649246 JQHANZAEBXGKMB-HSZRJFAPSA-N 495.362 6.138 50 10 JKGE CCCOc1cccc(C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@@H]3c2ccc(C(C)C)cc2)c1 38649605 KTZSPKUREGUPGM-HHHXNRCGSA-N 468.553 6.036 50 10 JKGE CC(C)c1ccc(O[C@@H](C)C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@H]3c2cccc(Cl)c2)cc1 38651253 GOCHTLBPNCCDFU-QLXKLKPCSA-N 488.971 6.054 50 10 JKGE C[C@H](Oc1ccc(F)cc1)C(=O)Oc1ccc2c(c1)OC(N)=C(C#N)[C@H]2c1c(Cl)cccc1Cl 38679827 DKIIAJRZCFOVNS-XMHCIUCPSA-N 499.325 5.724 50 10 JKGE CCCCCOc1cccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)COc4ccc(C)cc4)ccc32)c1 38684781 NHJULAXJEFHJNQ-LJAQVGFWSA-N 498.579 5.767 50 10 JKGE Cc1ccc(COc2ccc([C@H]3C(C#N)=C(N)Oc4cc(OC(=O)c5ccco5)ccc43)cc2)cc1 38686294 KTPNVFVWXGBXBX-HHHXNRCGSA-N 478.504 5.604 50 10 JKGE CS(=O)(=O)c1ccc([C@@H](Br)c2cc(Br)ccc2Br)cc1 40280659 JZZOZSZIADOTCY-CQSZACIVSA-N 483.019 5.099 50 10 JKGE COc1cc(/C=N/NC(=O)[C@@H](C)c2ccc(CC(C)C)cc2)ccc1OCc1ccc(C(=O)O)cc1 59166746 SPIILWKYFOQCCT-SOTNGODCSA-N 488.584 5.425 50 10 JKGE Cc1cc(/C=N/NC(=O)c2cc3cc(Br)ccc3o2)c(C)n1-c1ccccc1F 59305393 MAHBQYCWPIXZRY-BRJLIKDPSA-N 454.299 5.506 50 10 JKGE CCOc1ccc2nc(Sc3ccc(/C=N/NC(=O)COc4ccccc4C)o3)sc2c1 59506491 BHEXEJGCGUGBRP-ZMOGYAJESA-N 467.572 5.277 50 10 JKGE ClCc1nc2cc(I)ccc2n1Cc1ccc(Br)cc1 97353924 DJGMDPWNHHBPDY-UHFFFAOYSA-N 461.528 5.191 50 10 JKGE O=C(Cl)/C=C/c1ccc(OC(=O)CCCCC(=O)Oc2ccc(/C=C/C(=O)Cl)cc2)cc1 100484061 ZWPIQBZAPIEMFH-KAVGSWPWSA-N 475.324 5.315 50 10 JKGE CCCCCCCOc1ccc(/C=C2/C(=O)N(CCCOC)C(=O)C(C#N)=C2C)cc1OCC 101335755 GFEFMWNDYDSUDP-OQKWZONESA-N 468.594 5.063 50 10 JKGE COc1cc(/C=C(/C#N)C(=O)Nc2ncc(Cc3ccc(Cl)cc3Cl)s2)ccc1O 102651850 IOODVNGOZRLKHW-NSIKDUERSA-N 460.342 5.301 50 10 JKGE Clc1cccc(C(CBr)(CBr)Cc2ccc(Cl)cc2Cl)c1 118878065 FKKXHTGJVWAASK-UHFFFAOYSA-N 471.447 6.917 50 10 JKGE Fc1cc(Br)ccc1[C@H](Cl)c1cc(Br)c(Br)s1 128155319 SYEKNDFCZKTKSY-JTQLQIEISA-N 463.391 6.503 50 10 JKGE CCCCCCCOc1ccccc1/C=N/NC(=O)c1ccc2[nH]c(-c3ccccc3)nc2c1 169926943 UNEZJKWMJOMEHL-ZTKZIYFRSA-N 454.574 6.343 50 10 JKGE CCCCCCOc1ccc(/C=C2\C(=O)N(CCCCCC)C(=O)C(C#N)=C2C)cc1OC 214245202 OXJQJRUDNANWTH-XLNRJJMWSA-N 452.595 5.827 50 10 JKGE CC1=C(C#N)C(=O)N(Cc2ccccc2)C(=O)/C1=C\c1cn(-c2ccccc2)nc1-c1cc(C)ccc1C 214276841 CQEJMYOXWUDZKB-QRQIAZFYSA-N 498.586 5.949 50 10 JKGE CCOc1ccc(Br)cc1[C@@H](Br)c1ccc(F)c(Br)c1 233779085 KZELIXSLJDIUBH-HNNXBMFYSA-N 466.970 6.234 50 10 JKGE COc1c(C)cc(Br)c(C)c1[C@H](Br)c1cc(Cl)sc1Cl 235028595 HBXOZXXTONZRCF-GFCCVEGCSA-N 459.030 6.927 50 10 JKGE Cc1cc(Br)c([C@H](Br)c2cc(Cl)cc(Br)c2)s1 235821558 LWTFGAVOEXKOOU-LLVKDONJSA-N 459.428 6.719 50 10 JKGE CC[C@@H](C)c1ccc(OCC(=O)NN=Cc2cc(N=Nc3ccc(C)c(C)c3)ccc2O)cc1 254448076 CGQBSKDUEIFXKD-GOSISDBHSA-N 458.562 6.467 50 10 JKGE CC(C)(C)c1cc(C=NNC(=O)Cn2c3ccccc3c(=O)c3ccccc32)cc(C(C)(C)C)c1O 254714095 KLTLROVGXSTLRA-UHFFFAOYSA-N 483.612 5.606 50 10 JKGE CC(CCc1ccc2c(c1)OCO2)=NNC(=O)c1ccc(CN2C(=O)c3cccc4cccc2c34)cc1 254739131 UWQYJDNWCVVGSS-UHFFFAOYSA-N 491.547 5.467 50 10 JKGE Cl[C@@H](c1cc(Br)cc(Br)c1)c1cc2c(cc1Br)OCC2 308440112 WQZLEAWRNWEKFH-HNNXBMFYSA-N 481.409 6.237 50 10 JKGE Cl[C@H](c1cc(I)cc2c1OCC2)c1sccc1Br 311007721 QEZCYDNHGSOBIS-LLVKDONJSA-N 455.542 5.378 50 10 JKGE FC(F)(F)c1csc([C@H](Cl)c2ccc(OCc3ccccc3)cc2)c1Br 311780533 XFCSBMBRQGTYDH-QGZVFWFLSA-N 461.730 7.437 50 10 JKGE O=C(OCc1ccccc1)N1C[C@@H](CCl)[C@H](c2cc(Br)cc(Br)c2)C1 382730589 UHMYWEIJTZJJJB-QAPCUYQASA-N 487.619 5.803 50 10 JKGE Fc1ccc(Br)c([C@@H](Br)c2scc(C(F)(F)F)c2Br)c1 383833642 SNRQMONNLWIXAQ-SECBINFHSA-N 496.943 6.915 50 10 JKGE Clc1cc([C@H](Br)c2cccc(Br)c2)c(Cl)c(Cl)c1Cl 404888313 VHJGKCDAANQHMO-SNVBAGLBSA-N 463.811 7.547 50 10 JKGE CC(C)(C)[Si](C)(C)OCCc1cccc([C@@H]2CCCN(S(=O)(=O)c3ccccc3)CC2)c1 616600967 IDNAOBPPIQKUAG-HSZRJFAPSA-N 473.755 6.209 50 10 JKGE CC(C)(C)[Si](C)(C)OCCc1ccccc1[C@H]1CCCCCN1CCO[Si](C)(C)C(C)(C)C 616624332 MGTFVBOVRFHKFS-AREMUKBSSA-N 491.909 8.190 50 10 JKGE CC(C)(C)[Si](C)(C)OCCN1CCCCC[C@H]1c1ccc(CO[Si](C)(C)C(C)(C)C)cc1 616624564 AQFFFHXDRYGQGZ-VWLOTQADSA-N 477.882 8.147 50 10 JKGE CC(C)(C)c1cccc([C@H](Br)c2cc(Br)sc2Br)c1 691736529 DBZLVDUFOXOAGL-ZDUSSCGKSA-N 467.064 7.055 50 10 JKGE C[C@@H](Cl)c1nc2cc(Br)c(F)cc2n1CC(C)(C)N(C)Cc1ccccc1 714232806 GBSWBOJLICSVRL-CQSZACIVSA-N 452.799 6.148 50 10 JKGE C[C@@H](Cl)c1nc2cc(I)c(F)cc2n1C[C@@H]1CCN1Cc1ccccc1 716226662 GJGOVOQHLLNPOC-HIFRSBDPSA-N 483.756 5.354 50 10 JKGE Cc1sc(C)c([C@H](Br)c2cc(Cl)ccc2I)c1C 722486492 JPOMHOATONKZEQ-CQSZACIVSA-N 455.586 6.416 50 10 JKGE O=C(Nc1cccc(Cl)c1)[C@@H](c1cccs1)N(C(=O)CCl)c1cccc(C(F)(F)F)c1 725238254 RCGCKWUITYXLKC-LJQANCHMSA-N 487.330 6.372 50 10 JKGE CC(=NNC(=O)CN(c1ccccc1F)S(=O)(=O)c1ccc(C)cc1)c1ccc(C(C)(C)C)cc1 1084125080 KBQWLXKYYHOPLE-UHFFFAOYSA-N 495.620 5.167 50 10 JKGE CCCCCCCCOc1ccc(C=NNC(=O)[C@@H](C)Oc2ccc(Cl)cc2Cl)cc1 1084180372 BFXBMQNJMNBMJV-GOSISDBHSA-N 465.421 6.650 50 10 JKGE CC(/C=C/c1ccccc1)=NNC(=O)COc1c(C)cc(Br)cc1Br 1084336619 RIFDFDMGJIFHPK-MLHIXWRISA-N 466.173 5.104 50 10 JKGE O=C(NN=Cc1ccc(OCc2ccc3ccccc3c2)cc1)c1cc2cc(Br)ccc2o1 1084430754 VQOHEFKVIQGXIS-UHFFFAOYSA-N 499.364 6.691 50 10 JKGE Cc1ccc(NC(=O)/C(C#N)=C\c2cc(Br)ccc2OCc2ccccc2F)cc1 1084499369 VPCSRQKRQQOWBD-UNOMPAQXSA-N 465.322 6.021 50 10 JKGE Cc1ccc(NC(=O)C(=O)NN=Cc2ccc(OCc3c(Cl)cccc3Cl)cc2)cc1C 1084521296 GACTUHUGBIPTDP-UHFFFAOYSA-N 470.356 5.278 50 10 JKGE COc1ccc(-c2c(C(=O)Nc3ccc(SC#N)cc3)oc3cc(OC)ccc3c2=O)cc1 1859765810 IXLUERZOAYGXRZ-UHFFFAOYSA-N 458.495 5.303 50 10 JKGE CCOc1cc([C@@H]2C(C#N)=C(N)Oc3c2c(-c2ccccc2)nn3-c2cccc(Cl)c2)ccc1O 1865681544 QFOCJCLORAVLSH-HSZRJFAPSA-N 484.943 5.515 50 10 JKGE N#CC1=C(N)Oc2c(c(C(F)(F)F)nn2-c2ccc(Cl)c(Cl)c2)[C@H]1c1ccc(O)cc1 1865684612 TYXLGRSNJXECMY-HNNXBMFYSA-N 467.234 5.122 50 10 JKGE CCCCCOc1ccc([C@H]2C(C#N)=C(N)Oc3c2c(CC)nn3-c2cccc3ccccc23)cc1 1865692196 CEISFNSGXPDCGT-MHZLTWQESA-N 478.596 6.375 50 10 JKGE CCc1nn(Cc2cc(C)ccc2C)c2c1[C@@H](c1ccc(OC(C)C)c(OC)c1)C(C#N)=C(N)O2 1865695871 ABEQNFKMGGWZGF-VWLOTQADSA-N 472.589 5.125 50 10 JKGE CCCOc1ccccc1[C@@H]1C(C#N)=C(N)Oc2c1c(-c1ccc(OC)cc1)nn2CC(C)C 1865702804 FONXFPKZBYZIJO-HSZRJFAPSA-N 458.562 5.222 50 10 JKGE CCCOc1ccccc1[C@@H]1C(C#N)=C(N)Oc2c1c(C(F)(F)F)nn2Cc1cccc(Cl)c1 1865703207 PUAPTFNUSRJHNH-LJQANCHMSA-N 488.897 5.611 50 10 JKGE CCc1nn(Cc2cccc(Cl)c2)c2c1[C@@H](c1cccc(OCc3ccccc3)c1)C(C#N)=C(N)O2 1865711767 HPRNEXQAHUQEFT-SANMLTNESA-N 496.998 5.944 50 10 JKGE CC[C@H](NC(=O)c1ccc(-c2cc3ccccc3[nH]2)cc1)C(=O)Nc1ccc(SC#N)cc1 1867064783 XJJHTWZAUJAJFG-QFIPXVFZSA-N 454.555 5.555 50 10 JKGE CCCc1nc(Nc2ccc(SC#N)cc2)cc(N2CCN(CCc3cccc(Cl)c3)CC2)n1 1868388191 GLUHWGCRQZRMRV-UHFFFAOYSA-N 493.080 5.764 50 10 JKGE COc1ccc(-c2csc(/C(C#N)=C(\O)Cc3ccc(Br)cc3)n2)cc1OC 1872745619 VZQPRWNLQWLTLH-VLGSPTGOSA-N 457.349 5.625 50 10 JKGE CC(C)N1C(=O)c2ccc(/C(O)=C(\C#N)c3nc(-c4ccc(F)c(F)c4)cs3)cc2C1=O 1872751468 JLVWFYICMLNKFW-SILNSSARSA-N 451.454 5.043 50 10 JKGE COc1c(Cl)cc(-c2csc(/C(C#N)=C(\O)[C@@H](C)Oc3ccc(C(C)C)cc3)n2)cc1Cl 1872756148 SHWHUOQPBYBNFR-FSXJBPCSSA-N 489.424 7.509 50 10 JKGE COc1cc(/C=C(\C#N)c2nc(-c3ccc(OC)c(C)c3C)cs2)ccc1OC(=O)c1ccccc1 1872792846 ULIMGSLGXRYFQE-HYARGMPZSA-N 496.588 6.728 50 10 JKGE COc1cc(OC)c(-c2csc(/C(C#N)=C/c3cc(OC)c(O)c(OC)c3)n2)cc1Cl 1872793892 ZKAPYFHCSHLKHG-WLRTZDKTSA-N 458.923 5.268 50 10 JKGE Cc1cc(-c2csc(/C(C#N)=C(\O)CCCOc3ccc(Cl)cc3Cl)n2)ccc1F 1873920245 AVICESIHRUXBBL-SILNSSARSA-N 463.361 7.216 50 10 JKGE COC(=O)c1ccc(/C=C/C(O)=C(\C#N)c2nc(-c3ccc(-c4ccccc4)cc3)cs2)cc1 1873940649 BGASWUWGVIZBSE-WOSXIMIYSA-N 464.546 6.770 50 10 JKGE ClCC[C@H](COCc1ccccc1)NCc1ccc(I)c(Cl)c1 1902902250 OEVABHLSWQLAFF-MRXNPFEDSA-N 464.174 5.249 50 10 JKGE Clc1ccc(I)c(CC2(CBr)CC3(CCCCC3)C2)c1 1912578440 HXNSEYGXIZLEQF-UHFFFAOYSA-N 467.616 6.613 50 10 JKGE CC(C)[C@H](CCl)N(Cc1ccccc1)S(=O)(=O)c1ccc(Cl)c(Br)c1 1915272604 XRWUOWGMMXFUGK-SFHVURJKSA-N 465.240 5.557 50 10 JKGE Cc1cc(Br)ccc1C(=O)N(Cc1ccccc1)[C@@H](CBr)C(C)C 1915297929 MUWJEPKWPHEEGV-IBGZPJMESA-N 453.218 5.819 50 10 JKGE CN(Cc1cccc(Br)c1Br)C[C@@H](Cl)COCc1ccccc1 1916334793 KSCYOCLEHMWJID-MRXNPFEDSA-N 461.625 5.468 50 10 JKGE Brc1cc(Br)c([C@H](Br)[C@@H]2CCC[C@H]3CCCC[C@H]32)s1 1922882239 LHYXPSWBEIDRSV-ZHSDAYTOSA-N 471.096 7.316 50 10 JKGE CC(C)(CC(F)(F)F)[C@@H](Br)c1sc(Br)cc1Br 1922883633 KOWOSTPMGSSYKO-QMMMGPOBSA-N 458.963 6.688 50 10 JKGE Cc1c(Br)sc([C@H](Br)[C@H]2C[C@H]2c2ccccc2)c1Br 1922889976 ZUPOLNJRCFLFTF-GMXVVIOVSA-N 465.048 6.821 50 10 JKGE COc1ccc(C[C@@H](Br)c2sc(Br)cc2Br)cc1 1922945275 DWZXPXPWFUBRCK-SNVBAGLBSA-N 455.009 5.960 50 10 JKGE CCCC[C@@H](C)[C@@H](Br)c1c(Br)sc(Br)c1Br 1924580667 UGTTUQVOHPKIMF-HTRCEHHLSA-N 497.916 7.298 50 10 JKGE C[C@@H](C1CCC1)[C@H](Cl)c1c(Br)sc(Br)c1Br 1924609543 ZKHPGCVDBOJHAM-CDUCUWFYSA-N 451.449 6.752 50 10 JKGE CCc1sc(Br)cc1[C@H](Br)c1ccccc1OCc1ccccc1 1943031926 ZKNSGYWEQDSYOP-HXUWFJFHSA-N 466.238 7.136 50 10 JKGE CCC[C@@H]1C[C@@H]1[C@H](Cl)c1c(Br)sc(Br)c1Br 1992935980 HJILGEYOSJSKNL-JHEQGTHGSA-N 451.449 6.752 50 10 JKGE CC[C@H](C)[C@@H](Cl)c1c(Br)c(Br)cc(Br)c1Br 1995049090 WJROLJCVWICAQA-ULHQUTTKSA-N 498.278 7.063 50 10 JKGE C[C@]1(C(F)(F)F)C[C@H]1[C@@H](Br)c1sc(Br)cc1Br 1998670056 RWIQLYAKGNHXRR-QTLDAMRXSA-N 456.947 6.298 50 10 JKGE COC1CC2(C1)CC([C@@H](Br)c1cc(Br)c(Br)s1)C2 2038903560 MUXHUGCTDJRMSD-FGCOCLGUSA-N 459.041 5.914 50 10 JKGE Cc1ccc([C@@H](Br)c2cc(Br)c(Cl)s2)c(C)c1Br 2052446699 VPCFCDKTBFWNCT-GFCCVEGCSA-N 473.455 7.028 50 10 JKGE Cc1c([C@@H](Cl)c2c(Br)sc(Br)c2Cl)c(Br)nn1C 2067854411 FHTJCILNVRUXQK-ZCFIWIBFSA-N 497.865 6.059 50 10 JKGE CC(C)(C)OC(=O)N1CCC[C@@]2(CC[C@@](C)(CI)O2)C12CCCCC2 2083790380 HUFOQBWMOMMTNY-AZUAARDMSA-N 463.400 5.463 50 10 JKGE C[C@H]1Cc2cc([C@@H](Br)c3ccc(Br)o3)cc(Br)c2O1 2090467482 OAXJGZWGEXELNA-WPPNPWJKSA-N 450.952 5.612 50 10 JKGE ClC[C@H](Cc1ccc(Br)cc1Br)c1cccc(Br)c1 2092261054 MRMXRPARVYFAKL-LBPRGKRZSA-N 467.426 6.539 50 10 JKGE Cn1nc(COc2ccc(CBr)cc2Br)c(Br)c1Cl 2096688144 HUFKEUPZVXEGDQ-UHFFFAOYSA-N 473.390 5.072 50 10 JKGE Cc1c(Br)sc([C@H](Br)c2cc3c(s2)CCOC3)c1Br 2103246545 MFVHZLDLTRCWKJ-LLVKDONJSA-N 487.076 6.200 50 10 JKGE CN(CCN(Cc1ccccc1)CC1(c2nc(CCl)cs2)CCOCC1)Cc1ccccc1 2110039067 XXQBKCDONTVIFD-UHFFFAOYSA-N 484.109 5.564 50 10 JKGE Clc1ccc(Br)cc1C[C@H](CBr)c1ccc(Br)cc1 2110523621 JXTLRSJWSQPGOQ-GFCCVEGCSA-N 467.426 6.586 50 10 JKGE Cc1cc(Br)c([C@@H](Br)[C@@H]2[C@H]3CCCCC[C@H]32)cc1Br 2110919312 LSHGSKDQYCWCFD-LZJQFABFSA-N 451.040 6.782 50 10 JKGE Clc1nsc(CC(CBr)(CBr)C2CCCCC2)c1Cl 2110935068 POAXLFXSSWKOEM-UHFFFAOYSA-N 450.067 6.349 50 10 JKGE CCOc1ccc([C@@H](Br)c2nc(C)sc2Br)cc1Br 2113185006 LJSJKNZINXFCNJ-LLVKDONJSA-N 470.024 5.860 50 10 JKGE Cc1cc(Br)c(CBr)c(N2CCCC[C@H](N(C)Cc3ccccc3)C2)c1 2116825992 MBZOTWSXOXUDGB-IBGZPJMESA-N 480.288 6.143 50 10 JKGE BrC[C@@]1(Cc2c(Br)cccc2Br)CCCC12CCC2 2117004940 SDESIUORJJHBOV-INIZCTEOSA-N 451.040 6.490 50 10 JKGE CC1(C)CCCC[C@]1(CBr)Cc1cc(Cl)ccc1I 2117025754 SKHJJGPEKLVJHG-MRXNPFEDSA-N 455.605 6.469 50 10 JKGE C[C@H]1Cc2cc(Br)cc([C@H](Br)c3cc(Br)sn3)c2O1 2120034826 ZWVBOBWXMMNDFY-QTTZVWFDSA-N 468.008 5.476 50 10 JKGE CCn1cc(Br)c([C@H](Br)[C@@H](C)c2ccncc2Br)n1 2124763978 HANZKYMRQVVJRY-QPUJVOFHSA-N 451.988 5.063 50 10 JKGE CC(F)(F)CCCCOc1c(Br)cc(CBr)cc1Br 2136859329 MJTLXJWZNNFUDU-UHFFFAOYSA-N 464.970 6.311 50 10 JKGE Fc1cc([C@@H](Br)c2ccc(Br)cc2Br)c(F)cc1Cl 2138848943 CGKTWGOAEILTEZ-ZDUSSCGKSA-N 475.352 6.628 50 10 JKGE ClC[C@@H](Cc1ccc(I)c(Cl)c1)c1ccc(Br)cc1 2142940030 KYIZUVRTGBTRKT-GFCCVEGCSA-N 469.975 6.272 50 10 JKGE CCOc1cc(Cl)c([C@H](Br)c2scc(C)c2Br)cc1Cl 2157036300 WUZSJCLTJRBELQ-ZDUSSCGKSA-N 459.030 7.009 50 10 JKGE CCOc1ccc([C@@H](Br)c2c(Br)sc(C)c2C)c(Br)c1 2157253013 WVCJCBDXIBIWDZ-CQSZACIVSA-N 483.063 6.773 50 10 JKGE ClCCc1nc2cc(Br)c(Cl)cc2n1[C@H]1[C@@H]2CN(Cc3ccccc3)C[C@@H]21 2159885637 LPPYXNUFZGBEKO-PBFBIOBFSA-N 465.222 5.536 50 10 JKGE CN(C(=O)c1cc(Br)cc(Br)c1)C1CCC(CBr)CC1 2171112000 RDFHDTPYMZDIBT-UHFFFAOYSA-N 468.027 5.237 50 10 JKGE Cc1cc(Br)c(C)c([C@H](Cl)Cc2ccc(Br)cc2)c1Br 2201075026 BPBMOGDRYLBANA-CQSZACIVSA-N 481.453 7.114 50 10 JKGE FC(F)(F)c1ccccc1[C@@H](Br)c1ccc(Br)cc1Br 2203688951 WSDHVQKLAYNQJH-CYBMUJFWSA-N 472.924 6.715 50 10 JKGE Cc1cc([C@@H](Br)c2sc(Br)c(C)c2C)sc1Br 2213618768 JGSQLDIKCQGDNA-SECBINFHSA-N 459.066 6.744 50 10 JKGE Cc1ccc([C@@H](Br)c2ccc(F)c(Br)c2)cc1I 2217861112 OJKXNQTYHNTRGN-AWEZNQCLSA-N 483.944 5.986 50 10 JKGE BrC[C@@H](Cc1ccc(Br)cc1)Cc1cscc1Br 2219912671 GPTXJARWQNOFCP-NSHDSACASA-N 453.037 6.069 50 10 JKGE Cn1cc([C@H](Br)Cc2ccc(Br)cc2Cl)nc1Br 2221702136 BQTAGSDMDMKJED-SECBINFHSA-N 457.391 5.277 50 10 JKGE C[C@@H](CC(F)(F)F)[C@H](Br)c1c(Br)cc(Cl)c(Cl)c1Cl 2224311524 MIJSDAYLADSFAM-NVNXEXLPSA-N 463.346 7.434 50 10 JKGE Clc1c(Br)sc(Br)c1[C@@H](Br)[C@@H]1C[C@H]2CCC[C@H](C2)C1 2225322072 PZDFIUQEJMAKED-SJQPAMGKSA-N 491.514 7.579 50 10 JKGE C[C@H](Cl)c1nc2cc(Br)c(Br)cc2n1[C@H]1CC[C@@H]1OCc1ccccc1 2225697641 SERAXMDFVQNFSE-KHDYIWLOSA-N 498.646 6.781 50 10 JKGE Cc1ccc(I)c([C@H](Cl)Cc2ccc(Br)cc2Cl)c1 2232182998 HKBKPSMGZZODNV-CQSZACIVSA-N 469.975 6.538 50 10 JKGE Fc1cc(Br)c(Br)cc1[C@@H](Br)[C@H]1C[C@H]2CCC[C@H](C2)C1 2233981241 FYCIBIRXPWRNOY-BBKSZCTCSA-N 469.030 7.003 50 10 JKGE BrC[C@]12CCCC[C@H]1CN(Cc1cc(Br)ccc1Br)C2 2239186997 ADZIHOUZJAKKQJ-BBRMVZONSA-N 466.055 5.599 50 10 JKGE C[C@@]1(c2cc(Br)c(Br)s2)CCC[C@@H](CI)O1 2243277395 TWALHLCCDFEVFJ-CPCISQLKSA-N 480.003 5.492 50 10 JKGE Clc1ccc([C@H](Br)c2ccc(Br)s2)cc1I 2243570705 UCPAEDLAFRUYCQ-NSHDSACASA-N 492.401 6.253 50 10 JKGE Clc1cccc([C@@H](CI)OC2CCN(Cc3ccccc3)CC2)c1 2250385308 FUIVRLTVEKSSIZ-HXUWFJFHSA-N 455.767 5.497 50 10 JKGE CN(Cc1ccc(I)cc1)c1cccc(Br)c1CBr 2265606089 XJXBABCHAKUGET-UHFFFAOYSA-N 494.996 5.585 50 10 JKGE FC(F)(F)c1ccc([C@@H](Cl)c2c(Br)sc(Br)c2Cl)s1 2277708879 SKFKEOGLMOSTBY-ZCFIWIBFSA-N 474.976 7.335 50 10 JKGE COc1c([C@H](Br)Cc2cc(Br)cc(Br)c2)csc1Cl 2277953725 ARIYBHXRJWCQNZ-LLVKDONJSA-N 489.454 6.614 50 10 JKGE Brc1cc(Br)cc(C[C@@H](Br)[C@H]2COC3(CCC3)C2)c1 2277961159 PRSRTRPSKLMHFC-BXUZGUMPSA-N 453.012 5.477 50 10 JKGE CSc1ccc([C@@H](Br)Cc2cc(Br)cc(Br)c2)cc1 2277961360 SEUXSRNLFXHMLS-HNNXBMFYSA-N 465.048 6.612 50 10 JKGE COc1ccc([C@H](Br)c2csc3c2CCCC3)cc1I 2285007148 JSPRKIJNYLYLNO-INIZCTEOSA-N 463.178 5.724 50 10 JKGE Fc1ccc(I)c(-n2c(CCl)nc3ccc(Br)cc32)c1 2287304736 DORIFGFPPSMKSC-UHFFFAOYSA-N 465.491 5.271 50 10 JKGE CCOc1cc(C=C(C#N)c2nc3ccccc3s2)c(Br)c(Br)c1O 2294492936 XRFZRNAIKYHFLP-UHFFFAOYSA-N 480.181 5.990 50 10 JKGE Brc1cc(Br)cc(C[C@H](Br)C2CC3(C2)CC32CCC2)c1 2295329106 DLFVMZDLTUYQTK-VXKCQOAXSA-N 463.051 6.488 50 10 JKGE Brc1cc(Br)cc(C[C@@H](Br)[C@H]2C[C@H]3COC[C@H](C3)C2)c1 2295332169 SPUDIUXZZRDKBP-OQMKEHIESA-N 467.039 5.580 50 10 JKGE COc1ccccc1C=C(C#N)c1nc(-c2cc3cc(Br)ccc3oc2=O)cs1 2297213677 AKFWTBSJOPYNBG-UHFFFAOYSA-N 465.328 5.752 50 10 JKGE Brc1ccc(OCc2ccccc2)c([C@@H](Br)[C@H]2[C@@H]3CCCO[C@@H]32)c1 2299490493 ZBSJQMNJTKBSOF-OBZTUIKSSA-N 452.186 5.889 50 10 JKGE C[C@@H]1OC2([C@H](Br)c3cc(Br)ccc3OCc3ccccc3)CC1C2 2299498996 VYZCPWOHYALKIC-JKRPJCKLSA-N 452.186 6.032 50 10 JKGE Fc1cc(Br)c(Br)cc1[C@@H](Br)[C@@H]1C[C@@H]1C(F)(F)F 2312326829 AXWPNCCKUYZFFH-LXFXRRTQSA-N 454.881 5.985 50 10 JKGE Cc1ccc(NC(=O)C(C#N)=Cc2ccc(OCc3cccc(F)c3)c(Br)c2)cc1 2313567623 JCDHLOGYNHDCRG-UHFFFAOYSA-N 465.322 6.021 50 10 JKGE Cc1ccc(NC(=O)C(C#N)=Cc2cn(CC(=O)Nc3ccc(F)cc3)c3ccccc23)cc1 2313571490 XLGMOTGIIQDUIB-UHFFFAOYSA-N 452.489 5.273 50 10 JKGE Cc1cc(Oc2nc3ccccn3c(=O)c2C=C(C#N)c2nc3ccccc3n2C)ccc1Cl 2314437008 ZBUFPORMVOLRJL-UHFFFAOYSA-N 467.916 5.400 50 10 JKGE CC1(C)CCC[C@H]([C@@H](Br)c2ccc(OCc3ccccc3)cc2Br)O1 2314443558 KICXSEWWAHQCID-UXHICEINSA-N 468.229 6.812 50 10 JKGE Brc1ccc(OCc2ccccc2)c([C@H](Br)[C@@]23CCCC[C@@H]2CC3)c1 2314455808 RROHPUZAQKEVDI-VOQZNFBZSA-N 464.241 7.435 50 10 JKGE COc1cc(C=C(C#N)c2ccc(Cl)cc2)ccc1OC(=O)COc1cccc(Br)c1 2314737380 DWJBBUDPSBJYAC-UHFFFAOYSA-N 498.760 6.160 50 10 JKGE CCOC(=O)C(C#N)=Cc1ccc(OC(=O)CCCOc2cc(C)c(Cl)c(C)c2)c(OC)c1 2314772728 QRLUOURLURJPGK-UHFFFAOYSA-N 471.937 5.200 50 10 JKGE Clc1cc(I)c([C@H](Br)[C@@H]2C[C@@H]2c2ccccc2)s1 2316599855 XFGGWATYWPCEMD-GIPNMCIBSA-N 453.570 6.246 50 10 JKGE Brc1cccc(Br)c1COC1(CI)CCCCC1 2318202148 HRZFVRDQQLUFMV-UHFFFAOYSA-N 488.001 5.866 50 10 JKGE CC(C)C[C@@H](CBr)COCc1ccc(I)c(Br)c1 2328549119 QTEPOXIVRWUNOX-LBPRGKRZSA-N 490.017 5.628 50 10 JKGE CC(C)c1ccccc1O[C@@H](C)C(O)=C(C#N)c1nc(-c2ccc(-c3ccccc3)cc2)cs1 2331231781 BWSPYOZISRDKOK-FQEVSTJZSA-N 466.606 7.861 50 10 JKGE N#CC(=C(O)CCN1C(=O)c2ccccc2C1=O)c1nc(-c2cccc(Br)c2)cs1 2331279244 AKAZHMOLQOVBPF-UHFFFAOYSA-N 480.343 5.052 50 10 JKGE CC(C)(C)N1C(=O)c2ccc(C(O)=C(C#N)c3nc(-c4ccc([N+](=O)[O-])cc4)cs3)cc2C1=O 2331279459 BROVPFWVMQJDLC-UHFFFAOYSA-N 474.498 5.063 50 10 JKGE CC(C)(C)c1csc(C(C#N)=C(O)[C@@H](Cc2ccccc2)N2C(=O)c3ccccc3C2=O)n1 2331308125 NHNQPJFMUPYPAW-HXUWFJFHSA-N 457.555 5.141 50 10 JKGE COc1c(Cl)cc(Cl)cc1-c1csc(C(C#N)=C(O)Cc2cc(Cl)ccc2Cl)n1 2331362481 PRKSGUUQKKTMHH-UHFFFAOYSA-N 486.207 7.468 50 10 JKGE C[C@H](c1ccccc1)N1C[C@H](C(O)=C(C#N)c2nc(-c3ccc(Cl)s3)cs2)CC1=O 2331402200 YZUWEPRSCJZNLF-UKRRQHHQSA-N 455.992 5.927 50 10 JKGE Cc1cc(-c2csc(C(C#N)=Cc3ccccc3OCc3ccc(Cl)cc3)n2)ccc1F 2331449117 NRKCWSJUHMNOIH-UHFFFAOYSA-N 460.961 7.554 50 10 JKGE CCCN[C@@H](c1c(Br)cc(Cl)c(Cl)c1Cl)[C@@H]1C[C@@H]1Br 2333444825 QYKINBYJWJVCHX-DDZXGWPLSA-N 450.429 6.233 50 10 JKGE FC1(F)CC[C@H]1C[C@@H](Br)c1c(Br)cc(Cl)c(Cl)c1Cl 2335422016 NYDBCMZLSVAYMR-NTSWFWBYSA-N 457.367 7.281 50 10 JKGE Clc1ccc(C[C@]2(CBr)CCCC23CCC3)cc1I 2337224422 ZDZVPHIWJHQKOR-INIZCTEOSA-N 453.589 6.223 50 10 JKGE CCCc1sc(Br)cc1[C@H](Br)c1cccc(Br)c1F 2338020382 KEKRQASZHGPUHN-CYBMUJFWSA-N 471.027 6.849 50 10 JKGE Clc1cc(I)c([C@@H](Br)[C@@H]2CCc3ccccc3C2)s1 2338773986 SUOGXASXQOWYLE-RISCZKNCSA-N 467.597 6.247 50 10 JKGE COc1c(Br)cc(C)c([C@H](Br)[C@@H]2CC[C@@H]3C[C@H]32)c1Br 2339675390 QRUSMTJMMYECHQ-VWMGYNLJSA-N 453.012 6.011 50 10 JKGE BrCc1cc(Br)cc(Br)c1OC[C@@H]1O[C@H]2CC[C@H]1C2 2352561587 HVUHFZCNCKOMHG-QWRKXWFKSA-N 454.984 5.053 50 10 JKGE Fc1cc(Cl)c(Br)c(Cl)c1[C@@H](Br)C1CC(C(F)(F)F)C1 2360418070 NWJDOZYWNYALEW-UDSLYJHRSA-N 458.902 6.920 50 10 JKGE COc1cc(C[C@@H](CBr)c2ccccc2Br)c(Br)cn1 2362184191 LSLNKSQXIBKEAO-NSHDSACASA-N 463.995 5.336 50 10 JKGE Fc1c(Br)cc(Cl)c([C@@H](Cl)[C@@H]2COCCC2(F)F)c1Br 2362239191 LCGKIGLAHXSTFA-RRAGMBSWSA-N 456.911 5.956 50 10 JKGE COc1cc([C@H](Br)c2scc(C(F)(F)F)c2Br)sc1Cl 2365828454 HLOHVCGASUBWQC-QMMMGPOBSA-N 470.557 6.737 50 10 JKGE Clc1ccc(CN2CC[C@@H]3[C@@H](Br)CCC[C@H]3C2)c(I)c1 2366704974 SIERTRSRAXPHRN-CQDKDKBSSA-N 468.604 5.330 50 10 JKGE CO[C@]1(C(F)F)C[C@H]([C@H](Br)c2cc(Br)c(C)cc2Br)C1 2368963515 HEAIAXKJCVBZGD-ORUWWINDSA-N 476.981 6.016 50 10 JKGE CC1(C)CC(CBr)(CN2CCN(C(=O)OC(C)(C)C)[C@@H](CC(F)(F)F)C2)C1 2371134495 VUGHWNUYUXOVIZ-AWEZNQCLSA-N 457.375 5.061 50 10 JKGE CC(C)(C)OC(=O)N1CCC[C@@](CBr)(OCc2cccc(C(F)(F)F)c2)C1 2381380587 PUERGRXAJYHLKI-SFHVURJKSA-N 452.311 5.387 50 10 JKGE COc1cccc(/C=C(\C#N)C(=O)Nc2ccccc2F)c1OCc1ccc(Br)cc1 12555996 MZLBHUWXWSHCTL-QGOAFFKASA-N 481.321 5.721 50 10 JKGE N#C/C(=C\c1ccc(-c2ccc(Cl)c(Cl)c2)o1)C(=O)Nc1ccc(Cl)c(C(F)(F)F)c1 35518915 UGLLNKWROYFKPG-KPKJPENVSA-N 485.676 7.471 50 10 JKGE CCc1ccc(OCC(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@@H]3c2ccc(C(C)(C)C)cc2)cc1 38649851 DTEJIYRJPOVWMB-MUUNZHRXSA-N 482.580 5.749 50 10 JKGE N#CC1=C(N)Oc2cc(OC(=O)Cc3ccc(Cl)cc3)ccc2[C@H]1c1ccc(Cl)cc1 38651425 HFZIPYUVVQCRKU-HSZRJFAPSA-N 451.309 5.360 50 10 JKGE CCCOc1cccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4ccccc4Cl)ccc32)c1 38684371 LBXPFYUDQIXLLS-DEOSSOPVSA-N 460.917 5.566 50 10 JKGE N#C/C(=C\c1ccccc1OCC(=O)Nc1ccccc1)c1nc(-c2cccc([N+](=O)[O-])c2)cs1 39842931 VHDRHTASQNMNNC-DEDYPNTBSA-N 482.521 5.800 50 10 JKGE COc1ccc(C(=O)N/N=C2\CCCc3oc(C(=O)Oc4ccc5ccccc5c4)c(C)c32)cc1 40813812 AKMGLEUNPTVGLK-BYNJWEBRSA-N 468.509 5.439 50 10 JKGE Cc1c(C(=O)N2CCCC[C@H]2C)oc2c1/C(=N/NC(=O)COc1ccc(Cl)cc1Cl)CCC2 40816258 SCHUQTGKWLHKSO-DFCFRIHASA-N 492.403 5.145 50 10 JKGE CCCCOc1ccc(/C=N/NC(=O)COc2cc(C)c(Br)cc2C(C)C)cc1OC 40910978 XGTPGEGNEUYKKK-VULFUBBASA-N 491.426 5.598 50 10 JKGE O=C(CC[C@H](O)c1ccccc1)N/N=C\c1cn(Cc2ccc(Cl)cc2Cl)c2ccccc12 58891065 CRPBYGJQPPFVNY-GBTJHXGGSA-N 480.395 5.960 50 10 JKGE O=C(COc1ccc(C2CCCCC2)cc1)N/N=C/c1ccccc1OCc1ccc(C(=O)O)cc1 59159466 BVGQASXRAYWMCE-UXHLAJHPSA-N 486.568 5.541 50 10 JKGE COc1ccc([C@H](Br)c2cc(Cl)c(Br)cc2F)cc1Br 97896113 ZRBBWFOUOHTARA-AWEZNQCLSA-N 487.388 6.497 50 10 JKGE C[C@@H]1CCCC[C@H]1NC(=O)[C@@H](c1ccc(Cl)cc1)N(Cc1ccc2c(c1)OCO2)C(=O)CCl 97914250 MCFMXVKIDOYGIC-SRDOKRBCSA-N 491.415 5.072 50 10 JKGE CCc1ccc(N2C(=O)[C@H](Cc3ccc(F)cc3)S/C2=C(/C#N)C(=O)NCc2ccccc2)cc1 101240827 MTEMEYCWMXTZAI-UZEPBSNMSA-N 485.584 5.131 50 10 JKGE COc1c(Br)cc(Cl)cc1[C@@H](Br)c1ccc(Br)o1 109836049 PUHUCCCWWOQSDO-LLVKDONJSA-N 459.359 5.951 50 10 JKGE COc1ccc([C@@H](Br)c2ccccc2I)c2ccccc12 109838770 KBHKXNRZHMYWGZ-GOSISDBHSA-N 453.117 5.937 50 10 JKGE COc1c(C)cc(Br)c(C)c1[C@H](Br)c1ccc(C)c(Br)c1 125711963 KQFIFCVKRQEBMI-MRXNPFEDSA-N 477.034 6.630 50 10 JKGE Cc1cc([C@H](Br)c2c(F)cc(Br)cc2F)c(C)cc1Br 127659572 DPSTUWZLWDDENQ-HNNXBMFYSA-N 468.961 6.591 50 10 JKGE COc1cc([C@H](Br)c2ccc(Br)c(Cl)c2)c(OC)cc1Br 134297802 NRBBIGNWFPVTOG-OAHLLOKOSA-N 499.424 6.367 50 10 JKGE COC(=O)/C(C#N)=C\c1cccc(OC(=O)/C=C\c2ccc(OCc3ccccc3C)c(OC)c2)c1 206691927 CAAQFVBOEJMJRJ-GOSBAALSSA-N 483.520 5.281 50 10 JKGE CC[C@H](C)N1C(=O)C(C#N)=C(C)/C(=C/c2cn(-c3ccccc3)nc2-c2ccc(OC)cc2C)C1=O 214259024 RBFSWNLQHMDUDH-QETRNLNESA-N 480.568 5.247 50 10 JKGE CC[C@H](N/C=C(/C#N)C(=O)N[C@@H](CC)c1ccc2c(c1)CCCC2)c1ccc2c(c1)CCCC2 217189495 HDNBQYVFMLDCJF-VFUWTLSPSA-N 455.646 6.160 50 10 JKGE COCCOc1ccc([C@@H](Br)c2ccc(Br)cc2)cc1Br 229016911 UYMFAXOMEYBAHP-INIZCTEOSA-N 479.006 5.721 50 10 JKGE Cc1cc(F)cc(C)c1[C@H](Br)c1cc(Br)c(Br)s1 235785970 UGBMCYRSGWVFQU-GFCCVEGCSA-N 457.000 6.513 50 10 JKGE ClCc1cc(Br)c(OCc2ccc(Br)cn2)c(Br)c1 236020519 YQFOBFMXHRCATI-UHFFFAOYSA-N 470.386 5.687 50 10 JKGE Fc1ccc(Cl)c(COc2c(Br)cc(CBr)cc2Br)c1 236206859 MWOLJDVXSJQJKI-UHFFFAOYSA-N 487.388 6.478 50 10 JKGE C[C@@]1(CI)CC[C@@H](c2cc(Br)cc(Br)c2)O1 394574713 RFBDPAAIAOPJHE-RYUDHWBXSA-N 459.947 5.257 50 10 JKGE Cc1cc(F)c([C@H](Br)c2cc(Cl)ccc2I)cc1Cl 395581654 UFYWQCYMACXQSA-AWEZNQCLSA-N 473.938 6.530 50 10 JKGE CC(C)(C)[Si](C)(C)OCc1ccccc1[C@@H]1CCCN(S(=O)(=O)c2ccccc2)CC1 616602716 SFRBNCFVOALUOY-OAQYLSRUSA-N 459.728 6.167 50 10 JKGE CC(F)(F)C(C)(C)CC(CBr)(CBr)c1ccc(Br)cc1 697098251 CEFHQHSJKVYTED-UHFFFAOYSA-N 477.025 6.548 50 10 JKGE Fc1ccc([C@@H](Br)c2ccc(Cl)cc2Br)c(F)c1Br 701100638 YKBHJWOYGAVWJP-NSHDSACASA-N 475.352 6.628 50 10 JKGE O=C(c1scc(Br)c1Br)N(CCBr)C1CCCC1 705407974 DQVIOYFZHSDWCZ-UHFFFAOYSA-N 460.029 5.053 50 10 JKGE CCOc1cc(Cl)c([C@@H](Cl)c2scc(Br)c2Br)cc1Cl 705463523 JTFKVINGXHHQKA-GFCCVEGCSA-N 479.448 7.307 50 10 JKGE BrCc1c(Br)cccc1OCCOc1ccc(Br)cc1 706855633 IQQHRQMTBXZMFL-UHFFFAOYSA-N 464.979 5.564 50 10 JKGE Clc1ccc([C@H](Br)c2ccc(I)c(Br)c2)s1 721585952 HVTRSIBNMCBTQO-LLVKDONJSA-N 492.401 6.253 50 10 JKGE Cc1sc([C@@H](Br)c2cccc(Br)c2F)c(C)c1Br 724927719 HEEJUHXTSOFMOP-NSHDSACASA-N 457.000 6.513 50 10 JKGE COc1ccccc1OCC(=O)NN=C(C)c1ccc2c(c1)[C@@H]1C=CC[C@@H]1[C@H](c1ccccc1)N2 1084200092 RCNYUXWZQIOGNR-AFKLWXAFSA-N 467.569 5.441 50 10 JKGE C=CCc1cc(C=NNC(=O)c2cc3ccccc3o2)ccc1OCc1ccc2c(c1)OCO2 1084381662 MYLTUMPBXCXQPO-UHFFFAOYSA-N 454.482 5.233 50 10 JKGE O=C(NN=C(CSc1nc2ccccc2[nH]1)c1ccc(Br)cc1)c1ccccc1Cl 1084556621 BMHITCMFNLUBNK-UHFFFAOYSA-N 499.821 5.905 50 10 JKGE CCc1cccc(C)c1NC(=O)[C@H](C)Oc1cccnc1NC(=O)Nc1ccc(SC#N)cc1 1858846238 GTBYOFJUEFZTOW-KRWDZBQOSA-N 475.574 5.576 50 10 JKGE N#CC1=C(N)Oc2c(c(-c3ccccc3)nn2Cc2ccccc2Cl)[C@H]1c1ccccc1F 1865681235 IHCAWXACVVXHEP-QFIPXVFZSA-N 456.908 5.609 50 10 JKGE CCCc1nn(Cc2ccccc2F)c2c1[C@@H](c1ccc(OCC)c(OCC)c1)C(C#N)=C(N)O2 1865689064 JEWRLDSGSWAERL-DEOSSOPVSA-N 476.552 5.039 50 10 JKGE CCCc1nn(-c2ccc(Cl)c(Cl)c2)c2c1[C@H](c1ccc(OCC)cc1)C(C#N)=C(N)O2 1865694412 UUYYQBUSDMNSLN-OAQYLSRUSA-N 469.372 5.748 50 10 JKGE COc1cc([C@@H]2C(C#N)=C(N)Oc3c2c(C)nn3-c2ccc(Cl)c(Cl)c2)ccc1OC(C)C 1865696038 JUZPZLJDLVROAX-JOCHJYFZSA-N 485.371 5.502 50 10 JKGE N#CC1=C(N)Oc2c(c(C(F)(F)F)nn2Cc2cccc(Cl)c2)[C@H]1c1c[nH]c2ccccc12 1865700616 ZBKZAFPAYOSWQN-GOSISDBHSA-N 469.854 5.303 50 10 JKGE N#CC1=C(N)Oc2c(c(C(F)(F)F)nn2Cc2cccc(Cl)c2)[C@H]1c1ccc(F)cc1F 1865702138 NQFYVESIGZGQPN-INIZCTEOSA-N 466.797 5.100 50 10 JKGE CCCSc1ccccc1C(=O)NNC(=O)c1ccc(-c2ccc(Cl)c(Cl)c2)nc1C 1865759211 NZLXYKPHUGRVKK-UHFFFAOYSA-N 474.413 5.941 50 10 JKGE Cc1nc(-c2ccc(F)cc2F)ccc1C(=O)N/N=C\c1cccc(OCc2ccccc2)c1 1865760720 LUMDZCDYSUSYES-UHBFCERESA-N 457.480 5.678 50 10 JKGE C[C@H](Cl)CNC(=O)CCCOc1c(Br)cc(C(C)(C)C)cc1Br 1865938415 WCXFNJZAUZWNED-NSHDSACASA-N 469.645 5.412 50 10 JKGE CC[C@](C)(NC(=O)C[C@H](c1ccc(C(C)C)cc1)C(C)C)C(=O)Nc1ccc(SC#N)cc1 1866744185 FZXKELWBFQHWRG-IGKIAQTJSA-N 465.663 6.436 50 10 JKGE CCC[C@@H](NC(=O)C[C@@H](c1ccc(F)cc1)c1cccc(F)c1)C(=O)Nc1ccc(SC#N)cc1 1866777834 BIVIVNDADVHAFI-LOSJGSFVSA-N 493.579 5.984 50 10 JKGE CC[C@@H](NC(=O)[C@@H](c1ccc(Cl)cc1)C1CCCC1)C(=O)Nc1ccc(SC#N)cc1 1867006320 TUDXBNWZSPUMKZ-FGZHOGPDSA-N 456.011 5.720 50 10 JKGE Cc1nc(Nc2ccc(SC#N)cc2)cc(N2CCN(c3ccc(Oc4ccccc4)cc3)CC2)n1 1868480057 DWPIYXZQQXQLLU-UHFFFAOYSA-N 494.624 6.221 50 10 JKGE CC[C@@H](C)[C@@H](/C(O)=C(\C#N)c1nc(-c2ccc(OC)c(C)c2)cs1)N1C(=O)c2ccccc2C1=O 1872746641 QVJMXVQHKOLIRD-SSQDWCNBSA-N 487.581 5.631 50 10 JKGE CCc1cccc(C)c1N1C[C@H](/C(O)=C(\C#N)c2nc(-c3ccc(Cl)c(Cl)c3)cs2)CC1=O 1872748649 HEMSXBIVLSVCAD-KJCFGCQTSA-N 498.435 6.834 50 10 JKGE Cc1ccc(-c2csc(/C(C#N)=C(\O)c3ccc4c(c3)C(=O)N(CC(C)C)C4=O)n2)c(C)c1 1872748903 SCFIVFSRLIBTDJ-LNVKXUELSA-N 457.555 5.629 50 10 JKGE COc1ccc(C(C)(C)C)cc1-c1csc(/C(C#N)=C(\O)CCc2nc3ccccc3[nH]c2=O)n1 1872751339 CKXOJJGDQQLIAQ-NKFKGCMQSA-N 486.597 5.778 50 10 JKGE C[C@@H](Oc1ccc(Cl)cc1Cl)/C(O)=C(\C#N)c1nc(-c2ccc(F)c(F)c2)cs1 1872751878 XZGUOJOJOPOJGC-ICHPLGEASA-N 453.297 6.655 50 10 JKGE CCCCCCOc1ccc(/C=C(\C#N)c2nc(-c3ccc(Cl)s3)cs2)cc1OC 1872794643 NVFXCCYEYDEBMN-SFQUDFHCSA-N 459.036 7.557 50 10 JKGE CCCCOc1ccc(/C=C(\C#N)c2nc(-c3cc(Cl)ccc3Cl)cs2)cc1OCC 1872795138 PFNPNXLEUYRARV-GZTJUZNOSA-N 473.425 7.759 50 10 JKGE COc1ccccc1OCC(=O)N/N=C/c1ccc(OCc2ccc(Cl)cc2Cl)cc1 1873496912 CNMIIBXKTQHZAG-LGJNPRDNSA-N 459.329 5.110 50 10 JKGE COc1ccc(/C=C(C(/O)=C(\C#N)c2nc(-c3cccc([N+](=O)[O-])c3)cs2)\c2ccccc2)cc1 1873940998 QYBWNDGDHSBDKW-YKGZCTIFSA-N 481.533 6.760 50 10 JKGE C[C@H](c1ccccc1)N1C[C@H](/C(O)=C(\C#N)c2nc(-c3cccc([N+](=O)[O-])c3)cs2)CC1=O 1873941106 WSDNGXLMYUEDNL-AXHJZAJQSA-N 460.515 5.121 50 10 JKGE CN(NCc1ccc(OCc2ccccc2)c(OCc2ccccc2)c1)C(=O)OCc1ccccc1 1881180013 YVCDFLTVEKMPPB-UHFFFAOYSA-N 482.580 6.118 50 10 JKGE Cc1cc(Br)c([C@H](Br)C2CC3(CCCCC3)C2)cc1Br 1912564464 FXNGFERVMIONAE-MRXNPFEDSA-N 465.067 7.317 50 10 JKGE C[C@@H]([C@@H]1CCN(Cc2ccccc2)C1)n1c(CCl)nc2c(Br)cc(F)cc21 1912668791 IGROMTDNFQKVEC-GOEBONIOSA-N 450.783 5.760 50 10 JKGE C[C@@H](CBr)N(Cc1ccccc1)C(=O)c1cc(Cl)ccc1I 1914228602 NXBVNWABJSJDAX-LBPRGKRZSA-N 492.582 5.370 50 10 JKGE FC1(F)[C@H]2C[C@@H]([C@H](Cl)c3c(Br)sc(Br)c3Cl)CC[C@H]21 1923040616 VUMZDCBROIQFFS-GCJQMDKQSA-N 454.989 6.888 50 10 JKGE Clc1c(Br)sc(Br)c1[C@@H](Cl)c1ccc(Br)cc1 1923054615 HUIRITKOVWSGMJ-QMMMGPOBSA-N 479.846 7.017 50 10 JKGE Cc1cc([C@@H](Br)c2c(Br)sc(Br)c2Br)co1 1924576792 SGLIMGPQUCASSC-SSDOTTSWSA-N 493.840 6.421 50 10 JKGE COc1ccc(C)cc1[C@H](Cl)c1c(Br)sc(Br)c1Br 1924596580 QINHBYZYXNQZPC-NSHDSACASA-N 489.454 6.681 50 10 JKGE CCC[C@@H](C(C)C)[C@H](Cl)c1c(Br)sc(Br)c1Br 1924615026 VKTLKXFEPUJZGH-XVKPBYJWSA-N 467.492 7.388 50 10 JKGE FC1(F)C[C@H]1[C@H](Br)c1c(Br)sc(Br)c1Br 1924617139 YFXFBNMDZHYFQG-OKKQSCSOSA-N 489.799 6.127 50 10 JKGE Cc1cc(Br)c([C@@H](Cl)c2c(Cl)sc(Br)c2Cl)cc1Cl 1925590168 NMRVKWXBHBFVBW-SECBINFHSA-N 483.867 7.870 50 10 JKGE Cc1cc([C@@H](Br)c2cscc2OCc2ccccc2)c(C)cc1Br 1950321948 WBKNCZBHSLNDKP-HXUWFJFHSA-N 466.238 7.191 50 10 JKGE COC1([C@@H](Br)c2c(Br)sc(Br)c2Cl)CCC1 1979935355 RUJIISULOKYCED-ZETCQYMHSA-N 453.421 5.932 50 10 JKGE CC(C)(C)OC(=O)NCCSSCCNCc1cccc(NC(=O)OC(C)(C)C)c1 1985351059 ZNELXSIAHXHGEN-UHFFFAOYSA-N 457.662 5.029 50 10 JKGE Cc1cc([C@@H](Br)c2cc(I)ccc2Br)sc1C 2017981403 DHTGDLQQCQZPRF-ZDUSSCGKSA-N 486.010 6.216 50 10 JKGE Cc1cc(C)c([C@@H](Br)c2ccc(Br)cc2I)s1 2026220434 DSFDBNAJPMNRHM-LBPRGKRZSA-N 486.010 6.216 50 10 JKGE COc1ccc([C@@H](Br)c2csc(Br)c2Br)cc1F 2032959249 YBWNZPGSFKUVDM-SNVBAGLBSA-N 458.972 5.905 50 10 JKGE Fc1cnccc1C[C@@H](Br)c1ccc(I)c(Br)c1 2033939459 FQZVEOUAJHGIKQ-SNVBAGLBSA-N 484.932 5.267 50 10 JKGE Cl[C@H](c1c(Br)sc(Br)c1Br)[C@@H]1CC12CCCCC2 2039005977 MEECQGKDXONFRO-XVKPBYJWSA-N 477.487 7.286 50 10 JKGE Cc1cc(C=C(C#N)C(=O)c2cc(C)n(-c3ccc(OC(F)F)cc3)c2C)c(C)n1-c1ccccc1 2040448522 YIWHPHKSHGZTLI-UHFFFAOYSA-N 485.534 6.893 50 10 JKGE Brc1ccc([C@@H](Br)CCc2ccc(I)cc2)cc1 2050565756 BLDCUOBPBJHRQB-HNNXBMFYSA-N 479.981 6.123 50 10 JKGE CCOc1ccc([C@@H](Br)c2cc(Br)cc(Br)c2)s1 2086381253 LYVYNKAOJPOXLV-ZDUSSCGKSA-N 455.009 6.156 50 10 JKGE CS(=O)(=O)c1sccc1[C@H](Br)c1cc(Br)ccc1Br 2094150095 ZOTSVRIGHJGTJW-NSHDSACASA-N 489.048 5.161 50 10 JKGE Clc1cc(Br)cc(COc2ccc(CBr)cc2Br)c1 2110528864 PGNCSUYSDWKCIK-UHFFFAOYSA-N 469.398 6.339 50 10 JKGE CC[C@H]1CN(Cc2ccc(CBr)cc2)[C@H](CC)CN1C(=O)OCc1ccccc1 2126471515 LHWZOIIUPLXUKV-PKTZIBPZSA-N 459.428 5.593 50 10 JKGE COC1CC(C[C@H](Br)c2c(C)c(Br)cc(C)c2Br)C1 2136376269 DKDPMYLSLMHDOZ-XIVSLSHWSA-N 455.028 6.080 50 10 JKGE COc1cc(Cl)c([C@@H](Br)c2c(Br)cnn2C)cc1Br 2137646353 QTOGXJJMYVJODR-LLVKDONJSA-N 473.390 5.091 50 10 JKGE COc1cc(F)c(Br)cc1[C@@H](Cl)c1cccc(Br)c1Br 2148753373 WQFAAZTTXCQRNE-AWEZNQCLSA-N 487.388 6.450 50 10 JKGE Clc1cc2c(cc1[C@H](Br)c1cscc1OCc1ccccc1)OCCCO2 2156307579 ZDZFQVJYJDEJPT-NRFANRHFSA-N 465.796 6.626 50 10 JKGE C[C@]1(C(F)(F)F)C[C@H]1[C@H](Br)c1cc(I)cc2c1OCC2 2161821787 JZZRFJMLQUXVBO-LOWVWBTDSA-N 461.059 5.251 50 10 JKGE Clc1ccc(I)c(CN2CCC[C@]3(CBr)CCC[C@H]23)c1 2165253100 WQQGFRZKMUPXOE-HOTGVXAUSA-N 468.604 5.474 50 10 JKGE Clc1cc(Br)cc(C[C@H](CBr)Cc2ccc(Br)cc2)c1 2166831924 MDMSVMQXDOIBDF-CYBMUJFWSA-N 481.453 6.661 50 10 JKGE Cc1cc(C)c([C@H](Br)c2c(Cl)cccc2Br)c(C)c1Br 2169466473 WDDQEENNSOLKNX-INIZCTEOSA-N 481.453 7.275 50 10 JKGE Cc1c(F)cc(CBr)cc1S(=O)(=O)N(Cc1ccccc1)CC1CCCC1 2179863795 RNGIBSITZSBXOK-UHFFFAOYSA-N 454.405 5.410 50 10 JKGE FC1(F)C2(CC2)C12CC([C@@H](Br)c1cc(Br)ccc1Br)C2 2183930419 PVNGTBWJKCPGPY-YEMQSEFVSA-N 470.977 6.473 50 10 JKGE COc1c(Br)cc(C)cc1[C@@H](Br)c1cc(F)cc(Br)c1 2203830856 XQQHHACOEBBODA-AWEZNQCLSA-N 466.970 6.152 50 10 JKGE COc1cc(F)c(Cl)cc1[C@H](Cl)c1cc(I)ccc1Br 2207368588 NIZKIKNIMKMOAM-CQSZACIVSA-N 489.937 6.183 50 10 JKGE Cc1ccc(C(=O)N(Cc2ccccc2)[C@@H](C)CCBr)cc1I 2210202203 UNVLSPFRSYAHHG-HNNXBMFYSA-N 486.191 5.416 50 10 JKGE Cc1nn(C)c([C@H](Br)c2cc(Br)c(Br)s2)c1Cl 2217406654 RENYIINHPRBNSY-SSDOTTSWSA-N 463.420 5.453 50 10 JKGE CC(C)(C)OC(=O)N1CC(N(CCCCCI)CC2CCCCC2)C1 2220217091 PAHTVVRRHBSPHX-UHFFFAOYSA-N 464.432 5.093 50 10 JKGE Clc1cc(Br)ccc1C[C@H](Cl)c1cc(Br)c(Br)s1 2221700499 SQZXXTCAEXNUFP-JTQLQIEISA-N 493.873 7.212 50 10 JKGE CC1(C)[C@H]2C[C@H]([C@H](Br)c3cc(Br)c(Br)cc3F)C[C@H]21 2225618360 YMPOYFRUDDVRGH-VHNNBMRFSA-N 455.003 6.469 50 10 JKGE Cc1sc([C@H](Br)c2cc(Cl)c(Cl)c(Cl)c2Cl)cc1Br 2226085221 XWEKYDAUNUPDCR-SECBINFHSA-N 483.867 7.917 50 10 JKGE Cc1cc(Br)c([C@@H](Br)C2(C)CCCCC2)c(C)c1Br 2227348225 MTDOTGPBGFRJKG-OAHLLOKOSA-N 453.056 7.235 50 10 JKGE Cc1sc([C@@H](Br)c2cc(Br)c(Br)cc2F)c(C)c1C 2228579761 NFEMQIFYLLOUFV-ZDUSSCGKSA-N 471.027 6.822 50 10 JKGE Cc1cc(Br)c([C@H](Br)c2c(Br)cc(F)c(Cl)c2F)s1 2229302117 UXVJCEIJGZOAGR-SECBINFHSA-N 495.408 6.997 50 10 JKGE COc1ccc([C@@H](Br)c2sc(C)c(C)c2Br)c(Br)c1 2229319353 GRQHLXJNCZRFIV-CYBMUJFWSA-N 469.036 6.383 50 10 JKGE CCC[C@H]1CC[C@H]([C@@H](Br)c2cc(Br)c(Br)cc2F)CC1 2233977001 RXVPHNXUXGTIQV-GLKRBJQHSA-N 471.046 7.393 50 10 JKGE Cc1cc(Br)c([C@@H](Br)C2(CC(F)(F)F)CC2)c(C)c1Br 2235604018 LZVKXTYINSKOCJ-GFCCVEGCSA-N 478.972 6.997 50 10 JKGE CCc1cc([C@H](Br)c2cc(Br)sc2C)sc1Br 2248065104 DHECPHUOAVLQBK-LLVKDONJSA-N 459.066 6.690 50 10 JKGE Fc1cc(Cl)c([C@@H](Br)c2cc(Br)c(Cl)s2)cc1Br 2258112752 KXRMGMSZRDTYPG-SNVBAGLBSA-N 497.836 7.203 50 10 JKGE Fc1c(Cl)cccc1C[C@@H](Br)c1ccc(Cl)c(I)c1 2268324265 ZUWSFRVKTPJFBY-SNVBAGLBSA-N 473.938 6.416 50 10 JKGE CCc1sc(Br)cc1[C@@H](Br)c1cc(Br)c(F)cc1C 2270453583 QGZOKCONRCKIGX-AWEZNQCLSA-N 471.027 6.767 50 10 JKGE FC(F)(F)c1ccc([C@H](Cl)c2c(Br)sc(Br)c2Cl)s1 2277708878 SKFKEOGLMOSTBY-LURJTMIESA-N 474.976 7.335 50 10 JKGE COc1c([C@@H](Br)c2cc(Cl)c(Cl)c(Cl)c2Cl)csc1Cl 2284305625 SFJAOGHCHUQGHC-ZETCQYMHSA-N 455.415 7.508 50 10 JKGE COc1ccc([C@@H](Br)[C@@]2(C)CCCC(F)(F)C2)cc1I 2285005073 VFXBYCCTZFVHJZ-KGLIPLIRSA-N 459.112 5.951 50 10 JKGE CO[C@@H](COc1c(Br)cc(Br)cc1CBr)CC(C)(C)C 2287298098 POFDGRKFEVXDOB-GFCCVEGCSA-N 473.043 5.937 50 10 JKGE CC1(C)CCC(C)(C)[C@H](Br)[C@H]1Cc1ccc(I)c(Cl)c1 2290318839 VOAUBSYIWYXJLM-IUODEOHRSA-N 469.632 6.713 50 10 JKGE N#CC(=Cc1c[nH]c2ccc(OCc3ccccc3)cc12)C(=O)Nc1cc(Cl)ccc1Cl 2293379601 PKGXGSMMALDNKW-UHFFFAOYSA-N 462.336 6.599 50 10 JKGE CCCCOc1ccc(-c2nn(-c3ccccc3)cc2C=C(C#N)C(=O)NCCCOC)c(C)c1 2296706825 XMFWCUMCIHAYJX-UHFFFAOYSA-N 472.589 5.086 50 10 JKGE COc1cc(C=C(C#N)c2ccccc2)cc(Br)c1OCc1ccc([N+](=O)[O-])cc1 2297532916 HQFDVSPFOXRTQP-UHFFFAOYSA-N 465.303 6.009 50 10 JKGE CCC(=NNC(=O)Cc1ccc(Br)c2ccccc12)c1ccc(-c2ccccc2)cc1 2297672280 ZRZNSCUKAHKQES-UHFFFAOYSA-N 471.398 6.742 50 10 JKGE Cc1coc(C)c1[C@H](Br)c1ccc(OCc2ccccc2)cc1Br 2299524540 FGCFXTNSBJUKSQ-HXUWFJFHSA-N 450.170 6.722 50 10 JKGE Fc1ccccc1[C@@H](Br)c1cc(Br)ccc1OCc1ccccc1 2299535319 NPNPZADRUJWYMP-HXUWFJFHSA-N 450.145 6.652 50 10 JKGE Fc1c(Br)cc(Cl)c([C@H](Br)[C@@H]2CCCO2)c1Br 2300168967 RKWVAZDCCJTXJW-IONNQARKSA-N 451.355 5.619 50 10 JKGE CCOC(O)=C(C#N)[C@H](c1ccccc1)[C@H](C(=O)Nc1ccc(Br)cc1)[n+]1ccccc1 2313501717 RJVXZOZSUZGBPQ-XZOQPEGZSA-O 493.381 5.030 50 10 JKGE O=C(CCCNc1ccc(Cl)cc1)NN=C(C=Cc1ccc([N+](=O)[O-])cc1)c1ccccc1 2313532918 DTSFQGSAJBUGGS-UHFFFAOYSA-N 462.937 5.674 50 10 JKGE CCOc1ccc(NC(=O)C(C#N)=Cc2ccc(OCc3ccccc3Cl)c(OCC)c2)cc1 2313676541 AISKSICVEPGPSB-UHFFFAOYSA-N 476.960 6.262 50 10 JKGE CCC[C@H](CC(C)C)[C@@H](Br)c1ccc(OCc2ccccc2)cc1Br 2314451931 ITILMDACZZIXAL-XMSQKQJNSA-N 468.273 7.927 50 10 JKGE Cc1ccc([C@H](Br)c2c(Cl)sc(Cl)c2C)cc1I 2314505313 IDAGOHBMBXRBKB-NSHDSACASA-N 476.004 6.761 50 10 JKGE Cc1c(Cl)sc(Cl)c1[C@H](Br)c1cc(Br)cc(Br)c1 2314509953 AGXAPRFJEZBQFM-SNVBAGLBSA-N 493.873 7.373 50 10 JKGE CCCCOc1cccc(-c2nn(-c3ccccc3)cc2C=C2C(=O)N(CC)C(=O)C(C#N)=C2C)c1 2314617598 IZSQPSIWPDDMDG-UHFFFAOYSA-N 480.568 5.330 50 10 JKGE CCCCOc1ccc(C=C(C#N)C(=O)Nc2ccc(C(C)(C)C)cc2Br)cc1 2314951467 YUWRVZVYYSSUME-UHFFFAOYSA-N 455.396 6.471 50 10 JKGE Cc1ccc(CBr)c(OCc2ncsc2Br)c1Br 2327547272 MQAPWGRGNQGLGN-UHFFFAOYSA-N 455.997 5.450 50 10 JKGE N#CC(=C(O)CCCOc1ccc2ccccc2c1)c1nc(-c2ccc(-c3ccccc3)cc2)cs1 2331231937 CPHWLUIRVOBECI-UHFFFAOYSA-N 488.612 8.282 50 10 JKGE CCCOc1ccc(-c2csc(C(C#N)=C(O)c3c(Cl)ccc(Cl)c3Cl)n2)cc1 2331318224 IOGBWTHZWVMPFN-UHFFFAOYSA-N 465.789 7.509 50 10 JKGE CCc1cccc(CC)c1N1C[C@H](C(O)=C(C#N)c2nc(-c3ccc(F)cc3)cs2)CC1=O 2331343717 NCVWSOFPYMGCIJ-LJQANCHMSA-N 461.562 5.920 50 10 JKGE N#CC(=C(O)C=Cc1cccc(Cl)c1)c1nc(-c2ccc(Oc3ccccc3)cc2)cs1 2331358795 PPSQEUXLLMXCHF-UHFFFAOYSA-N 456.954 7.762 50 10 JKGE COc1cc(Cl)c(C)cc1-c1csc(C(C#N)=C(O)c2ccc(Cl)c([N+](=O)[O-])c2)n1 2331390333 YRNQEFIVTOUKDG-UHFFFAOYSA-N 462.314 6.292 50 10 JKGE COc1ccc(C)cc1-c1csc(C(C#N)=Cc2c(OCc3ccccc3)ccc3ccccc23)n1 2331449240 CYCPZNPNSKTYGJ-UHFFFAOYSA-N 488.612 7.924 50 10 JKGE COc1c(C)cc(C)cc1-c1csc(C(C#N)=Cc2ccccc2OCc2ccc(Cl)cc2)n1 2331469878 GHOHWHBCYUGYOW-UHFFFAOYSA-N 487.024 7.732 50 10 JKGE Cc1cc(Br)c([C@@H](Br)[C@@H]2C[C@@H]3CC[C@H]2C3)c(C)c1Br 2334328140 XNLXNAGJEJSBHH-JBBSTSQOSA-N 451.040 6.701 50 10 JKGE Brc1ccc(OCc2ccccc2)c([C@H](Br)c2cc3ncccc3s2)c1 2336055894 DOMHJSWFKHTDHD-NRFANRHFSA-N 489.232 7.122 50 10 JKGE Cn1cnc(Br)c1[C@H](Cl)c1c(F)cc(Cl)c(Br)c1Cl 2337276378 GJGHWPCIBZSHQW-SECBINFHSA-N 451.348 5.719 50 10 JKGE Clc1sc(Br)c(Cl)c1[C@H](Br)[C@@H]1COC2(CCC2)CO1 2338784851 RMZLDGVFOKZZON-POYBYMJQSA-N 451.007 5.592 50 10 JKGE Cc1cc([C@@H](Cl)c2c(Br)c(Br)nn2C)c(C)cc1Br 2338859829 IKBYIKYCYAIDFX-LLVKDONJSA-N 471.418 5.653 50 10 JKGE Cc1cc(Br)c(F)c(Br)c1[C@H](Br)[C@@H]1C[C@]1(C)C(F)F 2339657295 WWBVCMNNNLGXJE-APIRENEASA-N 464.945 6.386 50 10 JKGE COc1c(Br)cc(C)c([C@@H](Br)C[C@H]2CC23CC3)c1Br 2339658877 MSOPGWWETFGYDR-UWVGGRQHSA-N 453.012 6.155 50 10 JKGE CC1(C)CC[C@H](Br)[C@H](Cc2ccc(Cl)cc2I)CC1 2341028909 ZVJJZGMLUXFDRW-FZMZJTMJSA-N 455.605 6.467 50 10 JKGE ClCc1c(OCc2ccc(I)c(Br)c2)ccnc1Cl 2350057355 DIIYQRWWPRTLMF-UHFFFAOYSA-N 472.935 5.420 50 10 JKGE Clc1cc(Br)c([C@@H](Br)[C@@H]2OC[C@@H]3CCC[C@@H]32)c(Cl)c1Cl 2358458966 HUNSTURSWXEQMN-PUDGGNRWSA-N 463.424 6.660 50 10 JKGE COc1ccc([C@H](Br)[C@@H]2[C@@H]3[C@H]2CCCC3(F)F)cc1I 2359457636 UWIGWGUUGUNVNV-HBEIAFGSSA-N 457.096 5.417 50 10 JKGE Fc1cc(Cl)c(Br)c(Cl)c1[C@H](Br)[C@@H]1[C@@H]2[C@H]1CCC2(F)F 2360482560 ZJCZAHOJEKTTBK-MLYCQKTASA-N 452.923 6.622 50 10 JKGE Fc1cc(Cl)c(Br)c(Cl)c1[C@@H](Cl)c1cc(Cl)cc(Br)c1 2360491706 HPTSMSQBGXFMQY-LBPRGKRZSA-N 481.801 7.639 50 10 JKGE Fc1c(Br)cc(Cl)c([C@@H](Br)C2CCC3(CC2)CC3)c1Br 2362234999 JVGGIBGKMKHEGU-LBPRGKRZSA-N 489.448 7.411 50 10 JKGE Fc1c(Br)cc(Cl)c([C@@H](Br)CC23CCC(CC2)C3)c1Br 2362236953 QTHCWKZMQUARCO-VGWYGZTPSA-N 489.448 7.411 50 10 JKGE CCOc1ccc([C@H](Cl)c2ccc(Cl)cc2I)cc1Br 2365596600 AFDNGJXACSDKNR-HNNXBMFYSA-N 485.974 6.434 50 10 JKGE COCc1ccc(COc2c(Br)cc(CBr)cc2Br)s1 2367966989 JMVQXRUKVMDPCU-UHFFFAOYSA-N 485.035 5.893 50 10 JKGE N#C/C(=C\c1ccc(-c2cccc(Cl)c2Cl)o1)c1nc(-c2ccc(Cl)cc2)cs1 33568132 HHUQZZNJJFDUEO-GXDHUFHOSA-N 457.769 8.094 50 10 JKGE CCCCN(CC(=O)N1c2ccccc2-n2cccc2[C@H]1c1cccc(Cl)c1)C(=O)[C@@H](C)Cl 35708128 LPIPGXXKZQCQHM-IQGLISFBSA-N 484.427 5.823 50 10 JKGE CCCCCOc1cccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)COc4ccccc4C)ccc32)c1 38684784 DWMABKJIDBMRNF-GDLZYMKVSA-N 498.579 5.767 50 10 JKGE N#CC1=C(N)Oc2cc(OC(=O)c3ccco3)ccc2[C@@H]1c1cccc(OCc2ccccc2F)c1 38686813 OKTCCZSUHAOSBQ-SANMLTNESA-N 482.467 5.435 50 10 JKGE Cc1c(C(=O)Nc2cc(Cl)cc(Cl)c2)oc2c1/C(=N/NC(=O)c1ccccn1)CCC2 40814268 YPYLVSVAMDMQDK-JVWAILMASA-N 457.317 5.013 50 10 JKGE Cc1cc([C@H](Br)c2cc(F)cc(Br)c2)c(C)cc1Br 70472234 PJVYKBLVYXMNHF-OAHLLOKOSA-N 450.971 6.452 50 10 JKGE C/C(=N/NC(=O)c1ccccc1NS(=O)(=O)c1cccs1)c1cc(Cl)ccc1Cl 95949780 CDBODNYMHHXFJP-UUYOSTAYSA-N 468.387 5.010 50 10 JKGE CCn1c2ccccc2c2cc(N/C=C(/C#N)c3nc(-c4ccc(Cl)cc4)cs3)ccc21 102419360 AIKIVKOPOKNDME-SDXDJHTJSA-N 454.986 7.568 50 10 JKGE C[C@@H](Cl)c1nc2cc(Cl)c(Cl)cc2n1-c1ccc(I)cc1 125169378 MOCFGHCUJAXZTP-MRVPVSSYSA-N 451.522 6.237 50 10 JKGE Fc1c(Cl)cccc1[C@@H](Br)c1cc(Br)ccc1Br 131149041 NREQUFDWUSGXSU-GFCCVEGCSA-N 457.362 6.488 50 10 JKGE Clc1ccc([C@@H](CI)OCc2ccccc2Br)cc1 162557237 LZUJIUYUFZKAJL-OAHLLOKOSA-N 451.529 5.795 50 10 JKGE Cc1cc(Br)c([C@@H](Br)CCOCC(F)(F)F)cc1Br 232344927 HPMRVMRFHOELED-VIFPVBQESA-N 468.933 5.925 50 10 JKGE COc1cc(Cl)c([C@H](Cl)c2cc(Br)sc2Br)cc1OC 234901997 AEMUKTQPUIRXGV-LBPRGKRZSA-N 461.002 6.272 50 10 JKGE COc1ccc([C@@H](Cl)c2cc(Br)ccc2I)c(F)c1 234975290 UABZNAUCZAPNOS-CQSZACIVSA-N 455.492 5.530 50 10 JKGE COc1ccc([C@@H](Br)c2cc(I)ccc2Br)cc1F 234976004 FDNFWNMHVBYCAH-CQSZACIVSA-N 499.943 5.686 50 10 JKGE COc1cc(Cl)c([C@@H](Cl)c2cc(Br)sc2Br)cc1OC 235020888 AEMUKTQPUIRXGV-GFCCVEGCSA-N 461.002 6.272 50 10 JKGE Clc1ccc([C@@H](Br)c2cc(Br)cc(Br)c2)c(Cl)c1 236061871 XBRYHYWKGJDALG-ZDUSSCGKSA-N 473.817 7.003 50 10 JKGE Fc1cccc(COc2c(Br)cc(CBr)cc2Br)c1 236197326 NYYONEUXPYMSKB-UHFFFAOYSA-N 452.943 5.825 50 10 JKGE COc1ccc(C=NNC(=O)c2cc(-c3ccc(Cl)cc3Cl)nc3ccccc23)c(OC)c1C 252591189 AYTGWLWQPWJOTE-UHFFFAOYSA-N 494.378 6.298 50 10 JKGE CCOc1ccc(-c2cc(C(=O)NN=C(C)c3ccc(CC)cc3)c3cc(C)ccc3n2)cc1 254678752 SHYDLVJMYRGEBP-UHFFFAOYSA-N 451.570 6.325 50 10 JKGE C[C@@H](Cl)c1nc2cc(I)ccc2n1[C@H]1CCN(Cc2ccccc2)C1 310624260 CICQWYQAJHNUNN-PBHICJAKSA-N 465.766 5.388 50 10 JKGE Cc1cc(C)c([C@H](Br)c2cc(F)cc(Br)c2)c(C)c1Br 380442011 OAJURQQQJZBYJN-MRXNPFEDSA-N 464.998 6.760 50 10 JKGE ClCc1nc2cc(I)ccc2n1[C@@H]1CC[C@H]2CN(Cc3ccccc3)C[C@@H]21 380747323 MYLKBGYREZYDPV-XKGZKEIXSA-N 491.804 5.463 50 10 JKGE CC(C)(C)OC(=O)N1C[C@H](c2cccc(Cl)c2Cl)[C@@H](CI)C1 394758030 SPQSUJHORVHTEX-JQWIXIFHSA-N 456.151 5.379 50 10 JKGE Fc1cc(Br)c([C@H](Cl)c2cc(Br)cc(Br)c2)c(F)c1F 398456143 JDDPLDPBLDRULK-LLVKDONJSA-N 493.342 6.720 50 10 JKGE CC(C)Cc1nc(-c2cc(Br)ccc2I)oc1CCl 401236531 NPLOZTJAAXBTIM-UHFFFAOYSA-N 454.533 5.646 50 10 JKGE Cc1cc(C)c([P@](=O)(O[C@@H]2C[C@H](C)CC[C@H]2C(C)C)c2cc(C(F)(F)F)ccc2O)c(C)c1 585662296 FDWKHAUOWDQTPL-MYCGILSVSA-N 482.523 7.043 50 10 JKGE C=C1CC=CC(NC(=O)c2ccccc2)=C1SSC1=C(NC(=O)c2ccccc2)C=CCC1=C 585668169 TVWCFXKPBPSBQI-UHFFFAOYSA-N 484.646 6.683 50 10 JKGE CN(C(=O)OC(C)(C)C)c1cccc([C@H]2CCN(CCO[Si](C)(C)C(C)(C)C)c3ccccc32)c1 616591052 WGKWXMHXOFRHSY-XMMPIXPASA-N 496.768 7.422 50 10 JKGE CC(C)(C)[Si](C)(C)OCCc1cccc([C@@H]2CCCN(CCO[Si](C)(C)C(C)(C)C)C2)c1 616619840 BDXZISZBQQMOHE-RUZDIDTESA-N 477.882 7.452 50 10 JKGE CC(C)(C)[Si](C)(C)OCCc1cccc([C@H]2CN(S(=O)(=O)c3ccccc3)CCCO2)c1 616657675 GODOHCWMEIHJKA-XMMPIXPASA-N 475.727 5.403 50 10 JKGE Brc1cc2c(c([C@@H](Br)c3ccc(Br)o3)c1)OCCC2 688373199 ZRJBMKQCQOVXFM-CYBMUJFWSA-N 450.952 5.614 50 10 JKGE C[C@H](CBr)[C@@H]1CCCCN1C(=O)c1cc(Br)c(Br)s1 699961716 STGBIPRWDSJCLL-SCZZXKLOSA-N 474.056 5.299 50 10 JKGE Cc1cc(C)c(C)c([C@@H](Br)c2scc(Br)c2Br)c1C 705465244 LTBZWAUIEYUNIQ-CQSZACIVSA-N 467.064 6.991 50 10 JKGE Brc1csc([C@@H](Br)Cc2ccc3ccccc3c2)c1Br 705493087 RPDVEYKDHVNVJB-ZDUSSCGKSA-N 475.043 7.105 50 10 JKGE BrCC(CBr)(Cc1sncc1Br)C1CCCCCC1 719881147 XWBFIAMTQBALNV-UHFFFAOYSA-N 474.100 6.195 50 10 JKGE Clc1ccc([C@@H](Br)c2ccc(I)c(Br)c2)s1 721585974 HVTRSIBNMCBTQO-NSHDSACASA-N 492.401 6.253 50 10 JKGE C=CCc1cc(C=NNC(=O)CC[C@@H](O)c2ccccc2)cc(OCC)c1OCc1ccccc1F 725398244 LBCOAZDEPIMNGI-AREMUKBSSA-N 490.575 5.496 50 10 JKGE CCOc1cc(/C=C(\C#N)C(=O)N2CCN(c3ccccc3)CC2)ccc1OCc1cccc(F)c1 1083888573 ZIXUTHLAXBPIHP-JJIBRWJFSA-N 485.559 5.059 50 10 JKGE Cn1c(SCCCC(=O)NN=Cc2ccccc2OCc2ccccc2Cl)nc2ccccc21 1083941323 VZGAHINKUHRKII-UHFFFAOYSA-N 493.032 5.828 50 10 JKGE N#C/C(=C/c1ccc(OCc2c(Cl)cccc2Cl)cc1)C(=O)Nc1cccc(Cl)c1Cl 1084280133 DSCWMMCWTYHKJM-PTNGSMBKSA-N 492.189 7.425 50 10 JKGE O=C(Cc1cccc2ccccc12)NN=C1C(=O)N(C(c2ccccc2)c2ccccc2)c2ccccc21 1084464963 CFTTXMRLJBJDEF-UHFFFAOYSA-N 495.582 6.039 50 10 JKGE 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 1616183572 YLQIANWVVVMWMO-IMORTKSTSA-N 482.661 6.123 50 10 JKGE COc1ccccc1NC(=O)c1oc2c(c1C)C(=NNC(=O)c1cccc3ccccc13)CCC2 1772749141 XFQQZZFFFIKXNO-UHFFFAOYSA-N 467.525 5.473 50 10 JKGE O=C(CSc1nc2ccccc2[nH]1)NN=Cc1ccc(OCc2c(Cl)cccc2Cl)cc1 1772760581 WSXBJFQKYKIWMQ-UHFFFAOYSA-N 485.396 5.691 50 10 JKGE N#CSc1ccc(NC(=O)Oc2cccc3c(NC(=O)Cc4ccccc4F)cccc23)cc1 1858780332 VTZNTHLVMXYXAG-UHFFFAOYSA-N 471.513 6.344 50 10 JKGE N#CC1=C(N)Oc2c(c(-c3ccccc3)nn2Cc2ccccc2)[C@@H]1c1cccc2ccccc12 1865682632 UCAGAMKJPBESNY-AREMUKBSSA-N 454.533 5.970 50 10 JKGE N#CC1=C(N)Oc2c(c(-c3ccccc3)nn2Cc2ccc(F)cc2)[C@H]1c1ccccc1Cl 1865685045 CSRATHJGVWFWRM-QFIPXVFZSA-N 456.908 5.609 50 10 JKGE CCc1nn(-c2ccc(Cl)c(Cl)c2)c2c1[C@@H](c1cc(Cl)ccc1O)C(C#N)=C(N)O2 1865689277 OIZRVCYJQPDOLI-SFHVURJKSA-N 461.736 5.319 50 10 JKGE CCOc1ccc([C@@H]2C(C#N)=C(N)Oc3c2c(-c2ccccc2)nn3Cc2cccc(Cl)c2)cc1 1865693908 MPNFSWAYUSYOSK-XMMPIXPASA-N 482.971 5.869 50 10 JKGE CCn1nc(-c2ccccc2)c2c1OC(N)=C(C#N)[C@@H]2c1ccc(OCc2ccc(C)cc2)cc1 1865694259 WGGSOYZFKMQNBF-VWLOTQADSA-N 462.553 5.676 50 10 JKGE CCCc1nn(Cc2ccc(Cl)c(Cl)c2)c2c1[C@@H](c1ccc(F)cc1F)C(C#N)=C(N)O2 1865701952 JGIMZSXNIIBSFQ-FQEVSTJZSA-N 475.326 5.687 50 10 JKGE CCCn1nc(CC)c2c1OC(N)=C(C#N)[C@@H]2c1c(OCc2ccccc2)ccc2ccccc12 1865704446 WBIKPMOGRFFONS-AREMUKBSSA-N 464.569 5.806 50 10 JKGE COc1ccc(-c2nn(-c3ccc(C)cc3)c3c2[C@@H](c2ccc(OC)c(OC)c2)C(C#N)=C(N)O3)cc1 1865707247 RSVHLHUYGSHKIU-VWLOTQADSA-N 494.551 5.092 50 10 JKGE CCCc1nn(Cc2ccccc2Cl)c2c1[C@@H](c1ccc(C(F)(F)F)cc1)C(C#N)=C(N)O2 1865710936 MACDDBSURQLECR-FQEVSTJZSA-N 472.898 5.774 50 10 JKGE COc1cc(/C=C/C(O)=C(\C#N)c2nc(-c3cccc(Br)c3)cs2)cc(OC)c1OC 1872745799 CWYGDRKESJTASL-YLDZBIJKSA-N 499.386 6.104 50 10 JKGE COc1c(C)cc(C)cc1-c1csc(/C(C#N)=C(O)/C=C/c2ccc(Cl)c(Cl)c2)n1 1872754750 HAGBLAPMNGLCST-BUJUPJCASA-N 457.382 7.248 50 10 JKGE COc1cc(OC)c(-c2csc(/C(C#N)=C(\O)[C@H](C)Oc3ccccc3C(C)C)n2)cc1Cl 1872756008 ACZWEXUKGXTFDY-BHQWEUPHSA-N 485.005 6.864 50 10 JKGE COc1ccc(-c2csc(/C(C#N)=C(\O)c3ccccc3I)n2)cc1Cl 1872757501 JCGTVAWWIPZROY-AQTBWJFISA-N 494.741 6.027 50 10 JKGE COc1ccc(-c2csc(/C(C#N)=C/c3ccc(OCc4ccccc4)c(OC)c3)n2)cc1Cl 1872794645 NWAUKGCTOPVLIZ-CIAFOILYSA-N 488.996 7.124 50 10 JKGE C[C@H](c1ccccc1)N1C[C@@H](/C(O)=C(\C#N)c2nc(-c3ccc(F)cc3F)cs2)CC1=O 1872818135 OEYZNUWJMBKBFN-GDJRBPOVSA-N 451.498 5.491 50 10 JKGE O=S(=O)(c1cc(Cl)cc(CBr)c1Cl)N(Cc1ccccc1)Cc1ccccc1 1885382496 HFNLRCRHPYXTSA-UHFFFAOYSA-N 499.257 6.279 50 10 JKGE CN(C[C@H]1C[C@@H](Br)C1)C(=O)c1cc(Cl)c(NC(=O)OC(C)(C)C)c(Cl)c1 1887823382 MWLRCJMKKAVPQI-KLPPZKSPSA-N 466.203 5.586 50 10 JKGE Cc1scc(C(=O)N(Cc2ccccc2)[C@@H](CBr)C(C)C)c1Br 1902871522 LAQYGUNHMNNCSF-INIZCTEOSA-N 459.247 5.881 50 10 JKGE Cc1cc(F)cc([C@H](Br)c2c(Br)sc(Br)c2Cl)c1 1923038970 MBSKDCZOOVYYIN-VIFPVBQESA-N 477.418 6.858 50 10 JKGE C[C@H]1CN(c2c(CBr)ccc(Br)c2Cl)[C@H](C)CN1Cc1ccccc1 2036841578 CZAWZAILQQJGQC-LSDHHAIUSA-N 486.679 6.097 50 10 JKGE Cc1c(Br)sc([C@H](Br)[C@@]23COC[C@H]2C3(F)F)c1Br 2043521473 RANFAUGPVZUMDY-CPBLVBHUSA-N 466.967 5.299 50 10 JKGE COC1(C[C@@H](Cl)c2c(Br)sc(Br)c2Br)CCCC1 2049788511 LQJDVXHUUZFTKZ-SSDOTTSWSA-N 481.475 6.665 50 10 JKGE CC(C)(C)[Si](OCCCCCCCCCCCN=[N+]=[N-])(c1ccccc1)c1ccccc1 2060439199 NQNVHISAVXCOKR-UHFFFAOYSA-N 451.731 7.384 50 10 JKGE CCCC1CCC([C@H](Br)c2cc(Br)c(Br)s2)CC1 2072695742 ITPUVBBOSLAJOF-ZPPKWKGLSA-N 459.085 7.316 50 10 JKGE CCCCCc1ccc([C@@H](Br)c2csc(I)c2)s1 2076628049 MOHXYLIMGDASTJ-AWEZNQCLSA-N 455.224 6.631 50 10 JKGE Cc1ccc(-n2nc(CBr)c(I)c2C(F)(F)F)c(C)c1 2079260968 SQABLJGSLKAVNN-UHFFFAOYSA-N 459.047 5.007 50 10 JKGE O=C(N[C@H]1CCCCC[C@@H]1Br)c1c(Br)cccc1Br 2094088253 IZWGMQGHDNJORW-CABZTGNLSA-N 454.000 5.038 50 10 JKGE O=C(c1cc(Br)sc1Br)N1[C@H](CBr)C[C@@H]2CCC[C@H]21 2108390430 AASZXAFGABKJNI-OYNCUSHFSA-N 472.040 5.051 50 10 JKGE CC[C@H]1CN(C(=O)OCc2ccccc2)[C@@H](CC)CN1Cc1ccc(CBr)cc1 2126471514 LHWZOIIUPLXUKV-GOTSBHOMSA-N 459.428 5.593 50 10 JKGE Clc1cc(Br)cnc1C[C@H](CBr)c1ccccc1Br 2127194386 CJNMLZQLNUXBLO-SECBINFHSA-N 468.414 5.981 50 10 JKGE O=C(NC12CCC(CBr)(CC1)C2)c1cc(Br)c(Br)s1 2132805337 VQMRTPIHYAHWQP-UHFFFAOYSA-N 472.040 5.101 50 10 JKGE Cc1cc(Cl)ccc1[C@H](Br)c1ccc(Br)c(C)c1Br 2138856236 ZLRNMKIYBKIKMX-HNNXBMFYSA-N 467.426 6.966 50 10 JKGE COc1c(C)cc(Br)cc1[C@@H](Br)c1ccc(OCc2ccccc2)cc1 2141617606 TTYMOCZXZZAMLS-NRFANRHFSA-N 476.208 6.829 50 10 JKGE COc1ccc(Br)cc1[C@@H](Cl)c1ccc(I)c(C)c1 2142141400 UUZKOJJTXBAXEJ-HNNXBMFYSA-N 451.529 5.699 50 10 JKGE CC1(C)CC[C@H](Br)[C@@H](Cc2ccc(I)c(Cl)c2)CC1 2142953107 MVXLVMSPAIKNCN-OLZOCXBDSA-N 455.605 6.467 50 10 JKGE Fc1ccc([C@H](Br)c2csc(Br)c2Br)c2ccccc12 2150342276 UHMKAJROQLLEAT-ZDUSSCGKSA-N 479.006 7.050 50 10 JKGE C[C@@H]1C[C@H](n2c(CCl)nc3cc(Br)c(Cl)cc32)CCN1Cc1ccccc1 2159871946 OQVVTUVTOPVXOQ-GDBMZVCRSA-N 467.238 6.417 50 10 JKGE FC(F)(F)c1cc(Br)cc([C@@H](Br)c2ccc(Br)cc2)c1 2172413186 VCGPTUZGGLBEOF-ZDUSSCGKSA-N 472.924 6.715 50 10 JKGE CC1(C)[C@H]2CC[C@@H](C2)[C@@]1(CBr)Cc1cc(Br)ccc1Br 2175147485 OQIMAUXBKMPZIZ-DCGLDWPTSA-N 465.067 6.592 50 10 JKGE F[C@]12CCC[C@@]1(CBr)CN(Cc1cc(Cl)ccc1I)C2 2176641775 VTAFNSSBPKNSJU-CABCVRRESA-N 472.567 5.034 50 10 JKGE BrCc1cc(Br)c(OCc2ccn(C3CC3)n2)c(Br)c1 2186827301 ZLIXXFHCAJJWGZ-UHFFFAOYSA-N 464.983 5.217 50 10 JKGE Cc1cc(Br)c(C)c([C@@H](Br)C2(CC3CC3)CCC2)c1Br 2201072070 HUBBLDIAOAWXRU-MRXNPFEDSA-N 465.067 7.235 50 10 JKGE Cc1cc([C@H](Br)c2cc(Cl)c(Br)s2)cc(C)c1Br 2220200521 TYOBVUOPLQGWIY-LBPRGKRZSA-N 473.455 7.028 50 10 JKGE COCc1cc(Br)c([C@H](Cl)c2ccc(C)c(I)c2)s1 2224625757 HDVGOMVCORQXTN-CYBMUJFWSA-N 471.585 5.898 50 10 JKGE Cc1ccc([C@H](Br)c2cc(Br)c(Br)cc2F)c(C)c1 2225615206 DWDILZMSCDCPBZ-HNNXBMFYSA-N 450.971 6.452 50 10 JKGE CCCC(CCC)[C@@H](Br)c1c(Br)cc(C)c(Br)c1C 2227350707 YCCAWTHJPYVJKU-MRXNPFEDSA-N 455.072 7.481 50 10 JKGE COc1cc(Br)c([C@H](Br)c2scc(Br)c2C)cc1C 2227723407 JHDOFLFJJRPJSR-ZDUSSCGKSA-N 469.036 6.383 50 10 JKGE Cc1ccc(I)c([C@@H](Br)c2ccc(F)c(Cl)c2F)c1 2232224544 XZTSMFHSKBYWNT-LBPRGKRZSA-N 457.483 6.016 50 10 JKGE Cc1cc(Br)c([C@@H](Br)C2CC(CC3CC3)C2)c(C)c1Br 2235602648 DSNROUXYBVBIQF-FVKWTLKZSA-N 465.067 7.091 50 10 JKGE Cc1cc(Br)c([C@H](Br)C[C@@H]2CCC[C@@H]3C[C@@H]23)c(C)c1Br 2235607240 YTRXINZENVTWBR-QVHKTLOISA-N 465.067 7.091 50 10 JKGE CCc1cc([C@@H](Br)c2ccc(OC)cc2Br)sc1Br 2267755828 GHGXOWGZQSJEAT-ZDUSSCGKSA-N 469.036 6.328 50 10 JKGE COc1ccc([C@H](Br)c2cscc2C(F)F)cc1I 2269557302 UEYCFKDSVHPLAW-LBPRGKRZSA-N 459.093 5.783 50 10 JKGE C=CC[C@@]1(CBr)CCCN1C(=O)c1csc(Br)c1Br 2272141483 QOGVAQWWKUGTAF-ZDUSSCGKSA-N 472.040 5.219 50 10 JKGE Cc1c(Br)sc([C@H](Br)c2ccc(C(F)(F)F)s2)c1Br 2277879764 SQEGPINOSDXTIA-MRVPVSSYSA-N 499.009 7.146 50 10 JKGE C=CC[C@@]1(CBr)CCCCN1Cc1cc(Br)ccc1Br 2287724598 LHWXQAHTMORBPI-INIZCTEOSA-N 466.055 5.907 50 10 JKGE Cc1cc(Br)ccc1[C@@H](Cl)c1c(F)cc(Br)c(F)c1Br 2288355226 ORFBWNZOCGWUTB-CYBMUJFWSA-N 489.379 6.889 50 10 JKGE O=[N+]([O-])c1ccc([C@H](Br)c2c(F)cc(Br)c(F)c2Br)o1 2288493458 SPFKYKNXBLHZPO-VIFPVBQESA-N 475.865 5.475 50 10 JKGE Cc1cc(C=C(C#N)C(=O)N2CCN(c3ccccc3)CC2)c(C)n1-c1ccc(F)c(Cl)c1 2294175293 UYPNBFPVSVFROR-UHFFFAOYSA-N 462.956 5.142 50 10 JKGE COc1c(Br)cc(Cl)cc1[C@H](Cl)c1sc(C)c(Br)c1C 2295358465 WUFGEXIEWQDQJP-LBPRGKRZSA-N 459.030 6.880 50 10 JKGE COC(=O)c1ccccc1NC(=O)C(C#N)=Cc1ccc(OC)c(OCc2ccc(Cl)cc2)c1 2295459772 WFEONLROIBZITC-UHFFFAOYSA-N 476.916 5.260 50 10 JKGE CCOC(=O)c1c(-c2ccc(OC)cc2)csc1NC(=O)C(C#N)=Cc1ccc(N(C)C)cc1 2296500383 NHGWZMKCBUQKMH-UHFFFAOYSA-N 475.570 5.212 50 10 JKGE N#CC(=Cc1c(Cl)cccc1Cl)c1nc(-c2cccs2)c(NC(=O)c2ccco2)s1 2296717946 VCEJYGPRVNPLSI-UHFFFAOYSA-N 472.378 7.088 50 10 JKGE C[C@@H](C1CCCC1)[C@@H](Br)c1cc(Br)ccc1OCc1ccccc1 2299531680 YENISXAGQLLFQC-YCRPNKLZSA-N 452.230 7.290 50 10 JKGE CC1(C)CCC[C@H]1[C@@H](Br)c1cc(Br)ccc1OCc1ccccc1 2299535315 NOFHTOUNUQMPAH-ICSRJNTNSA-N 452.230 7.290 50 10 JKGE CC(C)(CC(F)(F)F)[C@H](Br)c1sc(Cl)cc1I 2300953766 NXLZBMWPNNWVSU-MRVPVSSYSA-N 461.512 6.421 50 10 JKGE Cl[C@@H](c1c(Br)sc(Br)c1Br)[C@H]1O[C@H]2CC[C@H]1C2 2307418672 WCSUSFFMQKPNFZ-FVTXQLJISA-N 465.432 5.883 50 10 JKGE CCOc1cc(C=C(C#N)C(=O)Nc2c(C)cccc2C)ccc1OCc1c(Cl)cccc1Cl 2313667321 KSRGRVLKXLAIFX-UHFFFAOYSA-N 495.406 7.134 50 10 JKGE Brc1ccc(OCc2ccccc2)c([C@H](Br)[C@H]2CCCC23CCC3)c1 2314502333 HWSIIMQSUVFNMO-CTNGQTDRSA-N 464.241 7.435 50 10 JKGE CCc1ccc(N2C(=O)[C@H](Cc3ccc(C)cc3)SC2=C(C#N)C(=O)Nc2ccccc2C)cc1 2314592080 LMRKJCBRZOZPMS-SANMLTNESA-N 481.621 5.931 50 10 JKGE CCCCOc1ccc(C=C(C#N)C(=O)Oc2ccc(C(=O)Nc3cc(C)ccc3C)cc2)cc1 2314737724 NHOJZTXGBBJNLH-UHFFFAOYSA-N 468.553 6.247 50 10 JKGE CC(C)(C)OC(=O)N1CCC(CI)(OCCCCCC(F)(F)F)CC1 2315797897 AICPDJWHMDYWGE-UHFFFAOYSA-N 479.321 5.330 50 10 JKGE Cc1cc(Br)ccc1NC=C(C#N)C(=O)Nc1ccc(Cl)c(C(F)(F)F)c1 2318462655 MZDNRHMEHYTISD-UHFFFAOYSA-N 458.665 5.888 50 10 JKGE Clc1cc(Br)c(C[C@H](CBr)c2cccc(Br)c2)s1 2322540535 KOQROIPBJMVILC-SECBINFHSA-N 473.455 6.648 50 10 JKGE Cc1ccc(C(=CC(=O)N[C@@H](Cc2ccccc2)C(=O)Nc2ccc(SC#N)cc2)C2CC2)cc1C 2329618124 LBFVQILDZDTPNO-NDEPHWFRSA-N 495.648 6.036 50 10 JKGE CC(C)C[C@@H](C(O)=C(C#N)c1nc(-c2ccc3c(c2)CCCC3)cs1)N1C(=O)c2ccccc2C1=O 2331240010 FTSKBNZMVIREQZ-VWLOTQADSA-N 497.620 6.192 50 10 JKGE CC(C)c1ccc(O[C@@H](C)C(O)=C(C#N)c2nc(-c3ccc(Cl)c(Cl)c3)cs2)cc1 2331311749 UMNRERUVFPTMFD-AWEZNQCLSA-N 459.398 7.500 50 10 JKGE CCCCCCOc1ccc(C(O)=C(C#N)c2nc(-c3cc(Cl)cc(C)c3OC)cs2)cc1 2331391849 OAIACFBGUTVXME-UHFFFAOYSA-N 483.033 7.690 50 10 JKGE COc1c(Cl)cc(-c2csc(C(C#N)=C(O)c3cc(Cl)ccc3Cl)n2)cc1Cl 2331397709 WYKFKUYLUNUWLK-UHFFFAOYSA-N 472.180 7.382 50 10 JKGE COc1ccc(Cl)cc1-c1csc(C(C#N)=C(O)Cc2ccc(OCc3ccccc3)cc2)n1 2331409072 QRXBLHINMLXLGX-UHFFFAOYSA-N 488.996 7.086 50 10 JKGE COc1ccc([C@@H](Br)c2cc(Br)ccc2OCc2ccccc2)cc1F 2336076520 ZOXVRSNGIUNHPS-OAQYLSRUSA-N 480.171 6.660 50 10 JKGE Fc1c(Br)cc(Cl)c([C@H](Br)C[C@@H]2C[C@H]3C[C@H]3C2)c1Br 2337085300 WQXQESJBEASKGZ-BZNPZCIMSA-N 475.421 6.876 50 10 JKGE COc1ccc([C@@H](Cl)c2c(Br)c(Br)nn2C)c(Br)c1 2338722177 KIVHIBLWCQYLBN-SNVBAGLBSA-N 473.390 5.044 50 10 JKGE Cc1cc(Br)c(F)c(Br)c1[C@H](Br)[C@@H]1CCCC12CC2 2339650867 JYGPVBTXTCEOEL-JOYOIKCWSA-N 455.003 6.675 50 10 JKGE Clc1ccc([C@H](Cl)c2cc(C3CC3)c(Br)s2)c(I)c1 2340065848 XFQMGKAEKUZLIX-ZDUSSCGKSA-N 488.015 6.974 50 10 JKGE Brc1ccc([C@@H](Br)[C@@H]2C[C@H]2C2CCCCCC2)c(Br)c1 2358114059 CSTJJTJQKQYYAO-ZMSDIMECSA-N 465.067 7.254 50 10 JKGE Fc1cc(Cl)c(Br)c(Cl)c1[C@@H](Br)C1(CC(F)F)CCC1 2360407588 PFKKQOBTPRLORX-GFCCVEGCSA-N 454.939 7.157 50 10 JKGE Fc1cccc([C@@H](CBr)OCc2cc(Br)cc(Br)c2)c1 2362240901 RRXQQPPIBLARRQ-OAHLLOKOSA-N 466.970 6.004 50 10 JKGE Cc1cc(Br)c(F)c(Br)c1[C@@H](Br)c1cc(F)cc(F)c1 2365177832 DTJUZHHCMHBFMG-LBPRGKRZSA-N 472.924 6.422 50 10 JKGE Cc1cc(Br)c(F)c(Br)c1[C@H](Br)C[C@@H]1CCC[C@@H]2C[C@H]12 2365190301 DBJAKWPKDDMPMZ-NOOOWODRSA-N 469.030 6.921 50 10 JKGE CCOc1cc(/C=C(\C#N)c2ccc(C(=O)O)cc2)cc(Cl)c1OCc1ccccc1C#N 2884474 GAIKRZURJOOANY-SSDVNMTOSA-N 458.901 5.952 50 10 JKGE COc1ccc([C@H](C(=O)NC2CCCCC2)N(C(=O)CCl)c2ccc(Cl)cc2C)cc1 3035326 AZGCGCALTNSYRP-HSZRJFAPSA-N 463.405 5.419 50 10 JKGE Cc1ccc([C@H](C(=O)NC2CCCCC2)N(C(=O)CCl)[C@H]2CCCc3ccccc32)cc1 3036100 BNQJRISAGVIZCC-AZGAKELHSA-N 453.026 5.630 50 10 JKGE O=C(CCCSc1nc2ccc([N+](=O)[O-])cc2s1)N/N=C/c1cccc2ccccc12 20805557 QWEKRCHZLMCBFC-OEAKJJBVSA-N 450.545 5.380 50 10 JKGE Cc1ccccc1NC(=O)/C(C#N)=C\c1cn(CCOc2ccc(C(C)(C)C)cc2)c2ccccc12 33932125 ARYALTPKBHHLNQ-NMWGTECJSA-N 477.608 6.872 50 10 JKGE CC(C)Oc1ccc(-c2nn(-c3ccccc3)cc2/C=C(/C#N)c2nc(O)c3ccccc3n2)cc1 34983901 RUADPVSMIUVZNL-PGMHBOJBSA-N 473.536 6.039 50 10 JKGE CCCCOc1ccc(/C=C(/C#N)C(=O)Nc2sc(C(C)=O)c(C)c2C(=O)OCC)cc1 35253610 CZTRQYBVIPIJFS-AQTBWJFISA-N 454.548 5.160 50 10 JKGE N#CC1=C(N)Oc2cc(OC(=O)c3cccc4ccccc34)ccc2[C@@H]1c1cccc([N+](=O)[O-])c1 38653957 SYKZOWWIWQOILW-VWLOTQADSA-N 463.449 5.185 50 10 JKGE CCCCOc1cccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)COc4ccc(C)cc4)ccc32)c1 38685093 OUNLSHQLCRZHQT-MUUNZHRXSA-N 484.552 5.377 50 10 JKGE CCCCOc1cccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)Cc4ccc(Cl)cc4)ccc32)c1 38685249 JPJJITWZAUZSLY-HHHXNRCGSA-N 488.971 5.885 50 10 JKGE CCOC(=O)c1ccc(NC(=O)/C(C#N)=C/c2cn(-c3ccccc3)nc2-c2ccc(C)cc2)cc1 39983480 MQQLYYMMTZIFIE-HAVVHWLPSA-N 476.536 5.570 50 10 JKGE CCOc1ccc(NC(=O)/C(C#N)=C/c2ccc(OCc3ccc(Cl)cc3Cl)c(OC)c2)cc1 40006647 RZRTUSFJFAZRSQ-XDHOZWIPSA-N 497.378 6.525 50 10 JKGE Cc1c(C(=O)Nc2ccccc2Cl)oc2c1/C(=N/NC(=O)c1ccc(-c3ccccc3)cc1)CCC2 40822732 YHOUYURQUUQQBQ-FEZSWGLMSA-N 497.982 6.631 50 10 JKGE Cc1c(C(=O)Oc2cccc3cccnc23)oc2c1/C(=N/NC(=O)c1ccc3ccccc3n1)CCC2 40825916 DKJCGVSGFNGZIC-RUMWWMSVSA-N 490.519 5.374 50 10 JKGE CCOc1ccc([C@H](O)CCC(=O)N/N=C/c2cc(C(C)(C)C)c(O)c(C(C)(C)C)c2)cc1 58894609 UQFBRJKMFHUKOS-ZVMZLPNLSA-N 454.611 5.350 50 10 JKGE Cc1ccc(C)c(NC(=O)/C(C#N)=C/c2c(OC(=O)c3ccc([N+](=O)[O-])cc3)ccc3ccccc23)c1 59198850 AKPZQRWFLHAUAC-CJLVFECKSA-N 491.503 6.130 50 10 JKGE CCn1c2ccccc2c2cc(N/C=C(/C#N)c3nc(-c4ccc([N+](=O)[O-])cc4)cs3)ccc21 102421099 VCDBWYYHRFYHIC-SDXDJHTJSA-N 465.538 6.823 50 10 JKGE Cc1cc(Br)c([C@@H](Br)C[C@@H](C)CC(C)(C)C)cc1Br 128793343 MDLRCFVIPBYQRL-YGRLFVJLSA-N 455.072 7.418 50 10 JKGE COc1cc(CBr)cc(Br)c1OCc1ccc(Br)cc1Cl 168182299 HRNJQCKZIWSUTB-UHFFFAOYSA-N 499.424 6.348 50 10 JKGE CCOc1cc(/C=C2\C(=O)N([C@H](C)CC)C(=O)C(C#N)=C2C)ccc1OCc1ccccc1F 214270331 WFJHBSMQFOADQK-OJSPLJLUSA-N 462.521 5.194 50 10 JKGE COc1ccc([C@H](Br)c2ccc(Br)cc2C)c(OC)c1Br 224859276 BKTMIPZQNZMVQN-CQSZACIVSA-N 479.006 6.022 50 10 JKGE CC1(C)C[C@H](Oc2c(Br)cc(CBr)cc2Br)C(C)(C)O1 232823351 CKTUURZOZODAOS-LBPRGKRZSA-N 471.027 5.831 50 10 JKGE C[C@@H]1CCC[C@](CBr)(NC(=O)c2cc(Br)sc2Br)C1 235337322 FIFFRWJIKNPCEM-OQPBUACISA-N 474.056 5.347 50 10 JKGE Fc1ccc(F)c([C@H](Br)c2cc(Br)ccc2I)c1 236171751 WMVRYLIXJDRIEE-ZDUSSCGKSA-N 487.907 5.816 50 10 JKGE BrCc1cc(Br)cc(Br)c1OCCC1CCOCC1 312111511 ZGGATYGZAHTBDH-UHFFFAOYSA-N 457.000 5.302 50 10 JKGE Cc1cc(Br)ccc1[C@@H]1CN(C(=O)OCc2ccccc2)C[C@@H]1CBr 382694301 JXEGCMHXJNANOS-QFBILLFUSA-N 467.201 5.505 50 10 JKGE CC(C)SCCC(CBr)(CBr)c1cccc(Br)c1 385425773 JDIIERNDJVDQGN-UHFFFAOYSA-N 459.085 6.008 50 10 JKGE ClCCc1nc2c(Br)cccc2n1CCCN(Cc1ccccc1)Cc1ccccc1 390626842 HLAQZKBERJDUKM-UHFFFAOYSA-N 496.880 6.673 50 10 JKGE Fc1cc(Br)c([C@H](Br)Cc2ccc(Br)cc2)c(F)c1F 398743457 SABODHMYKQUKKR-SECBINFHSA-N 472.924 6.308 50 10 JKGE Clc1cc([C@H](Br)c2ccccc2Br)c(Cl)c(Cl)c1Cl 404877289 PQGQYZIACMISBM-SNVBAGLBSA-N 463.811 7.547 50 10 JKGE Cc1cc(Br)c([C@@H](Br)C[C@H]2CCCC2(F)F)cc1Br 713958365 OSWDUXWWBDAIIM-RNCFNFMXSA-N 460.982 6.782 50 10 JKGE C[C@@H]1Cc2cc(Br)cc([C@H](Br)c3cc(Cl)sc3Cl)c2O1 720049701 GMKHDJYPYZUBSW-INWYIAFRSA-N 457.014 6.625 50 10 JKGE C[C@H](Cl)c1nc2cc(I)ccc2n1Cc1sncc1Br 722791319 GLNWCXCTILHQSU-ZETCQYMHSA-N 482.572 5.208 50 10 JKGE O=C(CCCC(=O)Nc1ccc(Br)cc1)NN=Cc1c(Cl)cccc1Cl 1084413577 UPBZLPRFJKKULV-UHFFFAOYSA-N 457.155 5.015 50 10 JKGE CCCc1nn(-c2ccc(Cl)c(Cl)c2)c2c1[C@@H](c1ccc(Cl)cc1)C(C#N)=C(N)O2 1865683044 DSOKAYPDYBXZMZ-IBGZPJMESA-N 459.764 6.003 50 10 JKGE CCCOc1ccc([C@H]2C(C#N)=C(N)Oc3c2c(-c2ccccc2)nn3Cc2ccc(F)cc2)cc1 1865692277 AKMSJCTYSJBYQF-VWLOTQADSA-N 480.543 5.744 50 10 JKGE CCCc1nn(CC(C)C)c2c1[C@H](c1ccc(OCc3ccc(C)cc3)cc1)C(C#N)=C(N)O2 1865693349 NFJVEJWBAUUKJB-RUZDIDTESA-N 456.590 5.597 50 10 JKGE CCCc1nn(-c2ccccn2)c2c1[C@@H](c1ccc(OCc3ccc(C)cc3)cc1)C(C#N)=C(N)O2 1865693735 QQSKNLZSEXOMKU-SANMLTNESA-N 477.568 5.325 50 10 JKGE COc1ccc(-c2nn(CC(C)C)c3c2[C@H](c2ccc(OC(C)C)c(OC)c2)C(C#N)=C(N)O3)cc1 1865697205 PMPKVXGBDQRDQU-XMMPIXPASA-N 488.588 5.229 50 10 JKGE CCCCOc1ccc([C@H]2C(C#N)=C(N)Oc3c2c(-c2ccccc2)nn3-c2ccccc2)cc1OC 1865697405 RMROAHWMHIDUHD-SANMLTNESA-N 492.579 5.945 50 10 JKGE Cc1ccccc1COc1ccc([C@H]2C(C#N)=C(N)Oc3c2c(C)nn3-c2cccc(Cl)c2)cc1 1865702899 HVEPYIJQMILOMW-SANMLTNESA-N 482.971 5.940 50 10 JKGE CCCc1nn(-c2ccc(Cl)c(Cl)c2)c2c1[C@@H](c1ccc(O)c(OC)c1)C(C#N)=C(N)O2 1865706550 ZDEDYLGQLSBKGS-FQEVSTJZSA-N 471.344 5.064 50 10 JKGE COc1ccc(-c2nn(-c3cccc(Cl)c3)c3c2[C@@H](c2cccc(OC)c2)C(C#N)=C(N)O3)cc1 1865712333 VWWKKIZLVFPMIB-QHCPKHFHSA-N 484.943 5.428 50 10 JKGE Cc1ccc(C(C)(C)CCC(=O)N[C@H](C(=O)Nc2ccc(SC#N)cc2)c2ccccc2)cc1 1866792613 SQYJLCJFAGNHMV-SANMLTNESA-N 471.626 6.122 50 10 JKGE CCCc1nc(Nc2ccc(SC#N)cc2)cc(N2CCC(Oc3cccc(CC)c3)CC2)n1 1868388259 HEMBOUIITAKHQR-UHFFFAOYSA-N 473.646 6.356 50 10 JKGE CCCc1nc(Nc2ccc(SC#N)cc2)cc(N2CCC(Oc3cccc(Cl)c3)CC2)n1 1868388884 NSLZEQWJMDWQOT-UHFFFAOYSA-N 480.037 6.447 50 10 JKGE COc1ccc(/C=C(\C#N)S(=O)(=O)c2ccc(Cl)cc2)cc1OCc1ccc(Cl)cc1 1872727214 GWQCRSKKSHHRAD-CIAFOILYSA-N 474.365 5.919 50 10 JKGE CC[C@H](C)[C@H](/C(O)=C(\C#N)c1nc(-c2ccccc2OC)cs1)N1C(=O)c2ccccc2C1=O 1872746835 ARMXHAQSXOGWEQ-BQLKNQQHSA-N 473.554 5.322 50 10 JKGE COc1cc(/C(O)=C(\C#N)c2nc(-c3ccc(C)cc3)cs2)c(Br)c(OC)c1OC 1872749452 RVZNNTKWLFUILH-CYVLTUHYSA-N 487.375 5.857 50 10 JKGE COc1c(Cl)cc(Cl)cc1-c1csc(/C(C#N)=C(\O)c2ccc(N(C)C)c([N+](=O)[O-])c2)n1 1872754216 IOOJSCYEUWTRRI-RGEXLXHISA-N 491.356 6.050 50 10 JKGE COc1cc(OC)c(-c2csc(/C(C#N)=C(\O)CCc3nc4ccccc4[nH]c3=O)n2)cc1Cl 1872756554 POOLFAXITOPXQJ-ZHZULCJRSA-N 494.960 5.143 50 10 JKGE N#C/C(=C\c1cc(Br)cc(Br)c1O)c1nc(-c2ccc(F)c(F)c2)cs1 1872793164 LHSQASSOHHCAJR-QDEBKDIKSA-N 498.146 6.383 50 10 JKGE CCOc1cc(/C(O)=C(\C#N)c2nc(-c3cc(OC)ccc3OC)cs2)cc(OCC)c1OCC 1873920225 AMENLQJDQZEGLG-CLCOLTQESA-N 496.585 5.973 50 10 JKGE CCc1nn(C)c([C@H](Br)c2ccc(F)c(Br)c2)c1Br 1877184867 XIXAQQLFUSKNBD-LLVKDONJSA-N 454.963 5.131 50 10 JKGE COc1cc(C)c([C@@H](Br)c2cc(Br)sc2C)cc1Br 1901560167 VVVAEPOLFMFCLT-CQSZACIVSA-N 469.036 6.383 50 10 JKGE CC(C)[C@H](CBr)N(Cc1ccccc1)C(=O)c1ccccc1OCc1ccccc1 1915259567 MRQFBSFOIPUFLS-DEOSSOPVSA-N 466.419 6.328 50 10 JKGE Cc1c(Br)sc([C@H](Cl)c2ccc(Br)cc2)c1Br 1922932944 QLASIZBMAFYVKV-SNVBAGLBSA-N 459.428 6.672 50 10 JKGE Fc1cc([C@H](Br)c2sc(Br)cc2Br)cc(F)c1F 1922946382 QNLYOPCRSJIIFA-VIFPVBQESA-N 464.926 6.175 50 10 JKGE Clc1ccc([C@@H](Br)Cc2ccncc2Br)c(Br)c1 1924054351 ZIZBKUYOESKTQO-NSHDSACASA-N 454.387 5.939 50 10 JKGE Cl[C@H](c1c(Br)sc(Br)c1Br)[C@@H]1C[C@H]2C[C@H]1[C@H]1C[C@H]12 1924569737 ZMWKCHMHVYLIMJ-FHPVCIAGSA-N 475.471 6.608 50 10 JKGE Cl[C@@H](c1c(Br)sc(Br)c1Br)[C@@H]1Cc2ccccc21 1924586525 YUWNJKYVYIZRGW-LDYMZIIASA-N 471.439 6.655 50 10 JKGE Cc1sc([C@@H](Br)Cc2ccccc2I)cc1Br 1940446221 XZYBEKMIOBOVGD-NSHDSACASA-N 486.010 6.102 50 10 JKGE CC[C@@H](Br)CN(Cc1ccccc1)C(=O)c1cc(Br)c(Cl)s1 1961679970 SEDZBSWBQQPKCJ-GFCCVEGCSA-N 465.638 5.980 50 10 JKGE Fc1cc(Br)cc(N2CCCN(Cc3ccccc3)CC2)c1CBr 2004045174 DJPGULUCESOYHW-UHFFFAOYSA-N 456.197 5.195 50 10 JKGE CC1(C)CN(Cc2ccccc2)CCN(c2ccc(CBr)cc2Br)C1 2033063159 FQTIDHSDKLMMGN-UHFFFAOYSA-N 466.261 5.692 50 10 JKGE Cc1cc(Br)c(CBr)c(N2CCCN(Cc3ccccc3)C[C@@H]2C)c1 2053202487 KGXCWSXUPQWIBP-KRWDZBQOSA-N 466.261 5.753 50 10 JKGE CCN(CC)c1ccc(/N=N/c2ccc(/C=C/C3=CC(=C(C#N)C#N)c4ccccc4O3)cc2)cc1 2060439955 HTRXMLHGYYUJHZ-ILLJBCBYSA-N 471.564 7.739 50 10 JKGE COc1c(Cl)cc(Br)cc1[C@@H](Cl)c1sccc1I 2082866197 OFHIRQWGVJSRAU-SNVBAGLBSA-N 477.976 6.105 50 10 JKGE CCN(C[C@](C)(CI)OCc1ccc(C)c(C)c1)C(=O)OC(C)(C)C 2083842908 GNPGETLFJRTLER-FQEVSTJZSA-N 461.384 5.271 50 10 JKGE CCc1cc(C)sc1[C@@H](Cl)c1ccc(Br)cc1I 2086150033 VYVBXLOGKFFBKF-ZDUSSCGKSA-N 455.586 6.314 50 10 JKGE COc1ccc(Cl)cc1[C@H](Br)c1cccc(Br)c1Br 2092329162 SPNWXEWACUOJDM-CYBMUJFWSA-N 469.398 6.358 50 10 JKGE CCc1nn(-c2ccc(CBr)cc2Cl)c(CC)c1I 2093916937 PWSSSCSKIAERAE-UHFFFAOYSA-N 453.549 5.150 50 10 JKGE C[C@H](N(Cc1ccccc1)S(=O)(=O)c1ccc(Br)c(CCl)c1)C(C)(C)C 2095909264 RJQAVOUFKGZRIE-HNNXBMFYSA-N 458.849 5.813 50 10 JKGE O=C(c1csc(Br)c1Br)N1[C@H]2CCC[C@H](Br)[C@H]1CC2 2097810341 AGQVFLSGTIRZEW-UJNFCWOMSA-N 472.040 5.194 50 10 JKGE Cc1cc(Br)c(C)c([C@@H](Br)C(C)(C)S(C)(=O)=O)c1Br 2136380924 XHRXAKVVBRPKGR-GFCCVEGCSA-N 477.056 5.088 50 10 JKGE Cc1cc([C@H](Cl)c2ccc(Br)cc2I)c(C)cc1Cl 2142287559 NPTQSQKOPDPRBF-OAHLLOKOSA-N 469.975 6.652 50 10 JKGE Cc1cccc([C@@H](Br)c2cc(Br)c3c(c2)CCO3)c1Br 2146630800 ZUVSGXRPWCFNGH-HNNXBMFYSA-N 460.991 5.939 50 10 JKGE O=C1Cc2cc([C@@H](Br)c3scc(Cl)c3Cl)c(Br)cc2N1 2152524880 YAMXKRXGPLXBJG-LLVKDONJSA-N 455.986 5.796 50 10 JKGE Cc1cc(Br)sc1[C@@H](Br)c1ccc2cc(Br)ccc2c1 2156076924 WMWSYWCEKJEZEV-HNNXBMFYSA-N 475.043 7.219 50 10 JKGE CCN(CCCOCc1ccccc1)S(=O)(=O)c1cc(CBr)c(Cl)cc1Cl 2179831465 XHEZSZQWHMWILU-UHFFFAOYSA-N 495.266 5.506 50 10 JKGE ClC[C@@H](Cc1cc(-c2ccc(OCc3ccccc3)c(OCc3ccccc3)c2)no1)C1CC1 2196789376 LLRINGLCPGBKLM-RUZDIDTESA-N 474.000 7.307 50 10 JKGE ClC[C@H](Cc1cc(-c2ccc(OCc3ccccc3)c(OCc3ccccc3)c2)no1)C1CC1 2196789377 LLRINGLCPGBKLM-VWLOTQADSA-N 474.000 7.307 50 10 JKGE Cc1sc(Br)c(C)c1[C@H](Br)c1cc(Cl)ccc1Br 2218801310 TVDUCMFFFHDZSD-GFCCVEGCSA-N 473.455 7.028 50 10 JKGE Cl[C@@H](c1csc(I)c1)c1ccc2c(c1Br)CCO2 2222172256 IJPKGDYLIWCVRL-ZDUSSCGKSA-N 455.542 5.378 50 10 JKGE CCCN[C@H](c1cc(Br)c(Br)cc1F)[C@H]1C[C@H](Br)C1 2225628399 GVVIODCVKWVRDU-FZNYLWTLSA-N 458.007 5.565 50 10 JKGE Cc1ccc([C@@H](Br)c2sc(C)c(Br)c2C)c(C)c1Br 2226074876 BCBYYQFRGMCRMJ-CQSZACIVSA-N 467.064 6.991 50 10 JKGE Cc1c(Br)sc([C@@H](Cl)c2c(F)ccc(Cl)c2F)c1Br 2226585439 HXFCKEMQGPMELP-VIFPVBQESA-N 450.957 6.841 50 10 JKGE O=S1(=O)CCCC[C@@H]1[C@@H](Br)c1c(Br)cc(Cl)c(Cl)c1Cl 2232514288 UNYUYBLJPLDCBC-PSASIEDQSA-N 485.452 5.813 50 10 JKGE CC[C@@H](CC(F)(F)F)[C@@H](Br)c1c(Br)cc(Cl)c(Cl)c1Cl 2232517858 XAVYDIRNRIKUFP-SSDLBLMSSA-N 477.373 7.824 50 10 JKGE FC(F)(F)[C@@H]1CC[C@@H]1[C@H](Br)c1c(Br)cc(Cl)c(Cl)c1Cl 2232580840 KKPBIBMDZKRIOZ-ZDEZVYLVSA-N 475.357 7.434 50 10 JKGE COc1ccccc1[C@H](Br)c1c(Br)cc(C)c(Br)c1C 2235607550 ZPZMIXYTGGIXAD-INIZCTEOSA-N 463.007 6.321 50 10 JKGE O=[N+]([O-])c1ccc(C[C@@H](Br)c2cc(Br)c(Br)s2)c(F)c1 2237446398 PKAUUELCMICERY-MRVPVSSYSA-N 487.970 5.999 50 10 JKGE Cc1ccc([C@H](Br)c2ccc3c(c2Br)CCO3)c(Br)c1 2238076612 MJOSDPOYDLVBOL-HNNXBMFYSA-N 460.991 5.939 50 10 JKGE FC(F)(F)Oc1cc(Br)cc(C[C@@H](Br)COCc2ccccc2)c1 2250872582 LXHVOBBJTQJVTQ-OAHLLOKOSA-N 468.107 5.871 50 10 JKGE Cl[C@H](c1c(Br)sc(Br)c1Br)[C@]12CCC[C@@H]1CC2 2251126300 LXKQBZYJNPXWEZ-JSTDYGSISA-N 463.460 6.896 50 10 JKGE Cc1cc(F)c(Br)cc1[C@@H](Br)c1cc(C)c(Br)s1 2258096288 SFMYITZCKHCOSM-GFCCVEGCSA-N 457.000 6.513 50 10 JKGE COc1ccc([C@H](Cl)c2ccc(Cl)cc2Br)cc1I 2269544852 PSEZFDGVMUCIDW-AWEZNQCLSA-N 471.947 6.044 50 10 JKGE Clc1cc([C@H](Br)c2ccc(C3CCC3)s2)ccc1I 2271973639 VVFVNTDZADJQPI-HNNXBMFYSA-N 467.597 6.758 50 10 JKGE C[C@@H](Br)CN(CC(C)(C)C)C(=O)c1cc(Br)c(Br)s1 2272436372 BGMLHEIISZTITR-MRVPVSSYSA-N 476.072 5.545 50 10 JKGE COc1cc(Cl)c([C@H](Br)c2csc(I)c2)c(OC)c1 2277612408 OELQEDQJXZAAMY-CYBMUJFWSA-N 473.557 5.508 50 10 JKGE Clc1cc(Br)cc([C@@H](Cl)c2cc3sc(Br)cc3s2)c1 2278097611 XECKJWMOIMIKTA-CYBMUJFWSA-N 457.039 7.469 50 10 JKGE COc1cc(Cl)c(Cl)cc1[C@H](Br)c1nn(C)c(Cl)c1Br 2279052074 JUTIJQYMPILQSL-VIFPVBQESA-N 463.384 5.636 50 10 JKGE CCCc1ccc([C@@H](Br)c2ccc(Br)c(C)c2Br)cc1 2283390715 WRPRKAPOCGSTBS-QGZVFWFLSA-N 461.035 6.957 50 10 JKGE COc1ccc([C@@H](Br)c2ccc(F)cc2Br)c(Br)c1Cl 2283563944 PRRCSAUPVIDAHJ-LBPRGKRZSA-N 487.388 6.497 50 10 JKGE CC(C)(C)C[C@@H](CBr)CNC(=O)c1ccc(Cl)c(I)c1 2283659572 JPINDMQBWFEYCQ-JTQLQIEISA-N 472.592 5.122 50 10 JKGE Cc1cc(Br)c([C@H](Br)[C@@H]2CCC[C@@H]2C(F)F)c(C)c1Br 2285685839 XOMOIBPWVIEAOG-ISTVAULSSA-N 475.009 6.946 50 10 JKGE CC(C)(CC(F)(F)F)[C@H](Br)c1c(F)cc(Br)c(F)c1Br 2288498206 DDNPUEPJGQQVEV-SNVBAGLBSA-N 488.914 6.904 50 10 JKGE CCOc1cccc(NC(=O)C(C#N)=Cc2ccc(OCc3ccc(Cl)cc3Cl)cc2)c1 2294193337 GBUUKMPHSMGWHZ-UHFFFAOYSA-N 467.352 6.517 50 10 JKGE COc1cc(C=C(C#N)C(=O)Nc2ccccc2)c(Br)cc1OCc1ccccc1 2294619980 WOYHDUYNTIRAEZ-UHFFFAOYSA-N 463.331 5.582 50 10 JKGE C[C@H]1CCCC[C@H]1NC(=O)C(C#N)=Cc1ccc(OCc2ccccc2)c(Br)c1 2295196111 VQPNGUTWDSRJRT-HTAPYJJXSA-N 453.380 5.630 50 10 JKGE COc1ccc(Cl)cc1NC(=O)C(C#N)=Cc1cn(-c2ccccc2)nc1-c1ccc(Cl)cc1 2295326986 WUGHRQDNFBLFCB-UHFFFAOYSA-N 489.362 6.400 50 10 JKGE COc1c(Br)cc(Cl)c(C)c1[C@H](Br)c1cnn(C)c1Br 2295361283 ZCLHOQUOAXPHKP-LLVKDONJSA-N 487.417 5.400 50 10 JKGE COc1cc(OC)c([C@@H](Cl)c2cccc(I)c2)cc1Br 2295425881 LUWKRWGSJLJILF-HNNXBMFYSA-N 467.528 5.399 50 10 JKGE COc1cc(C=C(C#N)c2nc(-c3cccc([N+](=O)[O-])c3)cs2)ccc1OCC(=O)c1ccccc1 2296038079 LZHBTYVTQUNRDT-UHFFFAOYSA-N 497.532 6.053 50 10 JKGE N#CC(C(=O)Nc1ccc(F)cc1)=C1S[C@@H](Cc2ccccc2Cl)C(=O)N1c1ccc(F)cc1 2296506752 CQAFRFACGSHYDG-QFIPXVFZSA-N 495.938 5.683 50 10 JKGE N#CC(=Cc1cccc(Br)c1)c1nc(-c2ccccc2)c(NC(=O)c2ccccc2)s1 2296729371 FGWRYEQKDKVJHI-UHFFFAOYSA-N 486.394 6.889 50 10 JKGE N#CC(=Cc1cccc(I)c1)c1nc(-c2ccc(Cl)cc2Cl)cs1 2296751900 MTWIJINVSLJOBZ-UHFFFAOYSA-N 483.161 6.786 50 10 JKGE N#CC(=Cc1cn(-c2ccccc2)nc1C(=O)c1ccccc1)C(=O)Nc1ccccc1Cl 2297388125 SJIVTIHXZXIYSA-UHFFFAOYSA-N 452.901 5.302 50 10 JKGE C=CCOc1cc(Cl)c(C=C2SC(=Nc3ccc(SC#N)cc3)NC2=O)cc1OC 2297505141 MPSCWZPUVXWLAP-UHFFFAOYSA-N 457.964 5.378 50 10 JKGE CC(C)(C)c1cc(C=C(C#N)C(=O)Nc2ccc(Br)cc2F)cc(C(C)(C)C)c1O 2297551688 ZFJRNCXQYHBSCJ-UHFFFAOYSA-N 473.386 6.434 50 10 JKGE C[C@H](CC(F)(F)F)[C@H](Br)c1ccc(OCc2ccccc2)cc1Br 2299504789 QDJWOQMZMHNTCK-PXAZEXFGSA-N 466.135 7.053 50 10 JKGE Brc1cc(OCc2ccccc2)ccc1[C@H](Br)[C@@H]1CC[C@@H]2C[C@H]2C1 2299505452 WZPIXJDMMSXCQK-PZTGFMGMSA-N 450.214 6.900 50 10 JKGE Cc1sc([C@@H](Cl)c2ccc(OCc3ccccc3)cc2Br)cc1Br 2299531415 WBCDUCUOMVGHCL-IBGZPJMESA-N 486.656 7.489 50 10 JKGE N#CC(=Cc1cc(Br)c(N2CCCC2)o1)C(=O)Nc1ccc(Cl)cc1Cl 2313562118 GADJXOIWHGDSBW-UHFFFAOYSA-N 455.139 5.495 50 10 JKGE N#CC(=Cc1ccc(-c2ccc(F)cc2)o1)C(=O)Nc1cc(C(F)(F)F)cc(C(F)(F)F)c1 2314571674 JYTJYHLDCGZXBE-UHFFFAOYSA-N 468.328 6.669 50 10 JKGE CC1=C(C#N)C(=O)N([C@@H](C)c2ccccc2)C(=O)C1=CNc1ccccc1C(=O)c1ccccc1 2314585517 BGOOJUSXDMUKEY-FQEVSTJZSA-N 461.521 5.183 50 10 JKGE Cc1ccc(N2C(=O)[C@@H](Cc3ccccc3)SC2=C(C#N)C(=O)Nc2ccccc2)cc1C 2314591877 GRHRKXNUXKZPKQ-XMMPIXPASA-N 453.567 5.368 50 10 JKGE CCCOc1ccccc1[C@@H]1C(C#N)=C(N)Oc2cc(OC(=O)C=Cc3ccc(Cl)cc3)ccc21 2314634328 DIJNNOPXBPOPNL-MHZLTWQESA-N 486.955 5.966 50 10 JKGE Fc1c(Br)cc(Cl)c([C@@H](Cl)c2sncc2Br)c1Br 2315453121 JQXAXIZTLJVUFY-MRVPVSSYSA-N 498.824 6.551 50 10 JKGE BrCCC[C@@H]1CCCN1Cc1ccc(I)c(Br)c1 2325214144 XUCNFLWWTVZVHC-GFCCVEGCSA-N 487.017 5.193 50 10 JKGE CCn1c(C(C#N)=Cc2ccc(N3N=C(c4ccccc4)C[C@@H]3c3ccccc3)cc2)nc2ccccc21 2331071702 DUXINBGPTDHIJD-JGCGQSQUSA-N 493.614 7.476 50 10 JKGE COCCCN1C(=O)c2ccc(C(O)=C(C#N)c3nc(-c4ccc5ccccc5c4)cs3)cc2C1=O 2331237783 DHNWPBMJNFVQPD-UHFFFAOYSA-N 495.560 5.546 50 10 JKGE CCCCOc1ccc(C(O)=C(C#N)c2nc(-c3c[nH]c4ccccc34)cs2)cc1OCC 2331348713 OQPWDILSJHVGSU-UHFFFAOYSA-N 459.571 6.819 50 10 JKGE Cc1cc(C)c(C)c(-c2csc(C(C#N)=C(O)CCCCCNC(=O)c3ccccc3)n2)c1C 2331366257 GCXVUSGAPLEYEY-UHFFFAOYSA-N 473.642 6.827 50 10 JKGE CCOc1cc(C=C(C#N)c2nc(-c3ccc(C)c(C)c3)cs2)ccc1OCc1ccccc1 2331472586 GGNHWKUCISOIMS-UHFFFAOYSA-N 466.606 7.469 50 10 JKGE Cc1cc(Br)c([C@@H](Br)[C@@H]2C[C@H]3CC[C@@H]2O3)c(C)c1Br 2333708231 FAGKEUUPFMLRGS-FCIGDQIPSA-N 453.012 5.832 50 10 JKGE COc1ccc(Cl)cc1[C@H](Cl)c1ccc(OCc2ccccc2)cc1Br 2336050755 MPTCPRDAHYOLIL-OAQYLSRUSA-N 452.175 7.018 50 10 JKGE Fc1cc(CBr)ccc1OCc1cc(Br)cc(Br)c1 2337071358 QUBPVTSCUPXIKS-UHFFFAOYSA-N 452.943 5.825 50 10 JKGE FC1(F)C2(CC2)C12CC(CBr)(Cc1sccc1I)C2 2338734963 HDTLBNHLLWSSFK-UHFFFAOYSA-N 459.137 5.486 50 10 JKGE Cc1cc(Br)c(F)c(Br)c1[C@H](Br)C[C@@H]1CC[C@H]2C[C@@H]12 2339646039 NMIRAOASAHYJPJ-UKKRHICBSA-N 455.003 6.531 50 10 JKGE COc1c(Br)cc(C)c([C@H](Br)c2csc(C)c2)c1Br 2339653956 OASSZAOAADYAKG-GFCCVEGCSA-N 469.036 6.383 50 10 JKGE CC(C)[C@H](Br)C(C)(C)CN(C)c1ncc(Br)cc1Br 2340335898 AVJSSOPWLWSROR-LBPRGKRZSA-N 457.048 5.489 50 10 JKGE Brc1cc(OCc2ccccc2)ccc1[C@H](Br)Cc1ccc2c(c1)CCO2 2361179817 YJSZUPMYFMHGRV-OAQYLSRUSA-N 488.219 6.642 50 10 JKGE CC(C)(C)c1ccccc1[C@H](Br)c1ccc(OCc2ccccc2)cc1Br 2361196399 XMAJJYDJVNICNC-QHCPKHFHSA-N 488.263 7.810 50 10 JKGE O=C(c1scc(Br)c1Cl)N1CC[C@@H](Br)C[C@H]1C(F)(F)F 2361464940 SLRBMNQOYHOJLA-VDTYLAMSSA-N 455.521 5.094 50 10 JKGE Fc1ccc(C(F)F)c([C@@H](Br)c2cc(Br)ccc2Br)c1 2363672194 AJTIILNNZFNKNU-CYBMUJFWSA-N 472.924 6.773 50 10 JKGE Cc1cc(Br)c(F)c(Br)c1[C@@H](Cl)c1cccc(F)c1Br 2365189536 VZVVCRJFMAFTDW-ZDUSSCGKSA-N 489.379 6.889 50 10 JKGE CC1(C)CCC[C@]1(CBr)NC(=O)c1ccc(Cl)cc1I 2365598189 OOJJMCNEGBMLSS-OAHLLOKOSA-N 470.576 5.018 50 10 JKGE Cc1sc([C@@H](Br)c2cc3c(cc2Br)OCCC3)cc1Br 2369629860 PXOXFMSLFVEQDQ-HNNXBMFYSA-N 481.047 6.391 50 10 JKGE CC(C)CO[C@@H]1[C@@H](Br)C[C@@H]1OCc1cc(I)ccc1Cl 2380346653 QHZWUNRUGDZMDF-AEGPPILISA-N 473.576 5.038 50 10 JKGE Clc1ccc(I)cc1CN1Cc2ccc(CBr)cc2C1 2380523304 SINYTTHAKFLJIL-UHFFFAOYSA-N 462.556 5.355 50 10 JKGE C/C(=N\NC(=O)COc1ccc(C(C)C)cc1Br)c1ccc(Br)cc1 12580124 NKLHJUBHPJHUEG-LPYMAVHISA-N 468.189 5.254 50 10 JKGE C[C@H](Oc1ccc(Cl)cc1Cl)C(=O)NNC(=O)[C@@H](C)Oc1ccc(-c2ccccc2)cc1 14038649 VXMDMAJXJDSRBT-CVEARBPZSA-N 473.356 5.043 50 10 JKGE CCNC(=O)/C(C#N)=C\c1cn(-c2ccccc2)nc1-c1ccc(OCc2ccccc2F)cc1 33378966 MDIZRBIXBWCRLE-JWGURIENSA-N 466.516 5.300 50 10 JKGE COc1ccc(-c2nn(-c3ccccc3)cc2/C=C(/C#N)c2nc(O)c3ccccc3n2)c(C)c1 34988518 OLXCSPSELIMWJH-CYVLTUHYSA-N 459.509 5.569 50 10 JKGE CCCCOc1ccc(-c2nn(-c3ccccc3)cc2/C=C(\C#N)C(=O)NCCCOC)c(C)c1 35376085 XMFWCUMCIHAYJX-RELWKKBWSA-N 472.589 5.086 50 10 JKGE COc1ccccc1[C@H]1C(C#N)=C(N)Oc2cc(OC(=O)COc3ccc(C(C)C)cc3)ccc21 38650075 IAYCLCONJLJWLA-HHHXNRCGSA-N 470.525 5.021 50 10 JKGE CCCOc1cccc(C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@H]3c2c(F)cccc2Cl)c1 38680562 ZYIPTKDJWMQAAF-QHCPKHFHSA-N 478.907 5.705 50 10 JKGE Cc1c(C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@H]3c2ccc(C(C)(C)C)cc2)oc2ccccc12 38687152 UCHKJDITIJQCEC-SANMLTNESA-N 478.548 6.476 50 10 JKGE CCc1ccc(Oc2nc3c(C)cccn3c(=O)c2/C=C(/C#N)C(=O)Nc2ccc(F)cc2)cc1 39858656 MWLAULFXSOADTE-CYVLTUHYSA-N 468.488 5.042 50 10 JKGE Cc1ccc(Oc2nc3c(C)cccn3c(=O)c2/C=C(\C#N)C(=O)Nc2ccc(F)cc2)c(C)c1 39993141 NHOBHBBGTUNXCX-XMHGGMMESA-N 468.488 5.097 50 10 JKGE COc1ccc(/C=N/NC(=O)c2ccc(-n3c(C)ccc3-c3ccccc3)cc2)cc1[N+](=O)[O-] 59305476 XIIJTVACQKENSH-WPWMEQJKSA-N 454.486 5.133 50 10 JKGE Cc1cc([C@H](Br)c2ccc(I)cc2)c(C)cc1Br 70472192 ODXLFTDYANZFIL-OAHLLOKOSA-N 479.981 6.155 50 10 JKGE CCCCC1CCC(C(=O)N2CCCc3cc(C[C@@H](Br)CC(C)C)ccc32)CC1 71436806 KVMWOZWZEQDHKE-JVPYDEADSA-N 462.516 7.315 50 10 JKGE Fc1ccc(Br)cc1C[C@@H](CBr)Cc1cccc(Br)c1 97184695 DBMGPIFYOWNTJG-LBPRGKRZSA-N 464.998 6.147 50 10 JKGE C[C@@H]1CCCC[C@@H]1NC(=O)[C@@H](c1ccc(Cl)cc1)N(C(=O)CCl)c1ccc(F)cc1 97914276 ISPMUNQAXYZMHV-UPKQVVFYSA-N 451.369 5.487 50 10 JKGE Cc1cccc(C(CBr)(CBr)Cc2sccc2Br)c1 118671218 JAMJBKMLMPZLEN-UHFFFAOYSA-N 467.064 6.089 50 10 JKGE CC(C)CCC[C@@H](C)[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@@]21C 118920941 XOLVVFSHDULKRS-NSDFNNNCSA-N 477.173 8.567 50 10 JKGE Fc1ccc(C[C@H](Br)c2cc(Br)sc2Br)cc1F 122884009 RZYGCGNEJKIDFC-QMMMGPOBSA-N 460.963 6.230 50 10 JKGE C[C@@H]1COc2ccc([C@H](Br)c3csc(I)c3)cc2OC1 124440480 XBTCVCSPNWWKFA-PSLIRLAXSA-N 465.150 5.244 50 10 JKGE CCc1ccc(CC)c([C@H](Br)c2cc(Br)c(Br)s2)c1 128872329 BYTNPTMWHNGBQQ-AWEZNQCLSA-N 467.064 6.882 50 10 JKGE CCOc1ccc(C)cc1[C@@H](C)N/C=C(/C#N)C(=O)Nc1ccccc1Sc1ccccc1 217243455 AHDUWPWSUOJDEG-HWCXCKHPSA-N 457.599 6.242 50 10 JKGE C[C@@H]1CC[C@H](CC(CBr)(CBr)c2cccc(Br)c2)O1 232063455 IIOOUXJYTXGAIC-BXUZGUMPSA-N 455.028 5.434 50 10 JKGE COc1ccc(Br)cc1[C@@H](Br)c1cc(Cl)ccc1Br 234842031 LOVTVHHSGJJZJC-AWEZNQCLSA-N 469.398 6.358 50 10 JKGE C[C@@](CBr)(NC(=O)c1cc(Br)sc1Br)c1ccccc1 235387560 FSNDCPZMQAGOHG-AWEZNQCLSA-N 482.035 5.313 50 10 JKGE O=C(NN=Cc1ccc(Cl)cc1Cl)c1ccc2c(c1)CN(c1ccc(Br)cc1)C2 252629033 TXISVFDJCQSZEZ-UHFFFAOYSA-N 489.200 6.040 50 10 JKGE Cc1ccc(C)n1-c1ccc(C(=O)NN=Cc2cn(-c3ccccc3)nc2-c2ccc(F)cc2)cc1 254491154 MFVISFBTZFEGSQ-UHFFFAOYSA-N 477.543 5.850 50 10 JKGE COc1ccc(CCNC(=O)NN=c2cc(C)c3cc4c(cc3o2)OC2(CCCCC2)CC4)cc1 254707423 ZUNWEMZBTLXFJO-UHFFFAOYSA-N 475.589 5.135 50 10 JKGE Cc1ccc(C(C)C)cc1OCC(=O)NN=Cc1ccc(OC(=O)c2cccc3ccccc23)cc1 254765491 YGTUAUFJLYIQBD-UHFFFAOYSA-N 480.564 6.020 50 10 JKGE Cc1cc(C)c([C@@H](Br)c2ccc(I)cc2)c(C)c1Br 302290210 CSGFVKNGUKSSJR-INIZCTEOSA-N 494.008 6.463 50 10 JKGE C[C@@H]1CC[C@H](O[C@@]2(CI)CCCN(C(=O)OC(C)(C)C)C2)C[C@H]1C 303741331 KEBQBOYKKWWQDE-OAFZBRQQSA-N 451.389 5.032 50 10 JKGE CN(c1ccc(CBr)c(Br)c1)[C@@H]1CCCN(Cc2ccccc2)C1 388395791 KOPQTZUZIUXNMY-LJQANCHMSA-N 452.234 5.445 50 10 JKGE Cc1cc(Br)cc([C@@H](Br)c2scc(C(F)(F)F)c2Br)c1 394486684 YHKQGLOWTFOECF-SNVBAGLBSA-N 492.980 7.085 50 10 JKGE Cc1c(Cl)cccc1[C@@H]1CN(C(=O)OCc2ccccc2)C[C@H]1CI 394692397 PJRLDQGFVPZCDE-SJLPKXTDSA-N 469.750 5.436 50 10 JKGE Cc1cc(Br)c([C@H](Br)c2csc3c2CCCC3)cc1Br 399866248 RPJURGNZHBPRKY-INIZCTEOSA-N 479.075 6.945 50 10 JKGE Clc1cc([C@H](Cl)c2cc(Br)ccc2Br)c(Cl)c(Cl)c1Cl 404873706 NZRKIFOFSJVUQJ-SNVBAGLBSA-N 498.256 8.153 50 10 JKGE Cc1ccc(C[C@H](CBr)Cc2cc(Cl)ccc2I)cc1 405545438 VYAKCBLLSHKKLT-AWEZNQCLSA-N 463.584 6.049 50 10 JKGE C[C@H](c1ccccc1)N1CCCO[P@]1(=O)N(CCCl)CCO[Si](C)(C)C(C)(C)C 504627065 NHGIEBZSYGSGFI-WHLCRQNOSA-N 461.059 6.141 50 10 JKGE in-vitro Cn1ncc(Br)c1[C@H](Br)c1ccc(Br)c2ccccc12 693083796 LIDDDXWJCDLBJH-CQSZACIVSA-N 458.979 5.583 50 10 JKGE Clc1cc(Br)cc(Oc2ccc(Br)cc2CBr)c1 697952349 WLYLVUKYSVPOIM-UHFFFAOYSA-N 455.371 6.552 50 10 JKGE Fc1ccc(F)c([C@H](Br)c2cc(Br)c(Br)s2)c1F 716406590 NNIHZGONNXHZSX-SECBINFHSA-N 464.926 6.175 50 10 JKGE O=C(NCCc1cccs1)[C@H](c1cccs1)N(C(=O)CCl)c1cccc(C(F)(F)F)c1 725237156 AIAHWRGYTJNJDG-IBGZPJMESA-N 486.968 5.500 50 10 JKGE CC(=NNC(=O)c1ccc(CSc2nc3ccccc3s2)cc1)c1ccc([S@](=N)(=O)O)cc1 916287255 DFXRNTYSQUCOIJ-UHFFFAOYSA-N 496.639 5.621 50 10 JKGE Cc1cccc(NC(=O)/C(C#N)=C\c2cc(Br)ccc2OCc2cccc(F)c2)c1C 1083987862 NRMSFDYIZPCNNS-NDENLUEZSA-N 479.349 6.330 50 10 JKGE O=C(NN=Cc1ccc(OCc2ccccc2Cl)cc1)c1cc2cc(Br)ccc2o1 1084002733 PZXPUZSXSPKDJP-UHFFFAOYSA-N 483.749 6.192 50 10 JKGE Cc1cccc(-n2c(C)c(Br)c(C=NNC(=O)[C@@H](C)SCc3ccccc3)c2C)c1 1084467372 MBEDAUURONMGQU-LJQANCHMSA-N 484.463 5.937 50 10 JKGE CC(=NNC(=O)c1cc2ccccc2cc1O)c1cccc(NC(=O)c2cccc(Cl)c2)c1 1084614545 KLBOLEWBSWSRHI-UHFFFAOYSA-N 457.917 5.605 50 10 JKGE N#CC1=C(N)Oc2c(c(-c3ccccc3)nn2Cc2c(F)cccc2Cl)[C@@H]1c1cccc(Cl)c1 1865682910 ALDVTFQFQAMXHE-JOCHJYFZSA-N 491.353 6.262 50 10 JKGE COc1ccc(-c2nn(-c3ccccc3Cl)c3c2[C@H](c2ccccc2F)C(C#N)=C(N)O3)cc1 1865683954 RFJZAFMAHHJPJS-JOCHJYFZSA-N 472.907 5.559 50 10 JKGE CCCOc1ccccc1[C@@H]1C(C#N)=C(N)Oc2c1c(-c1ccccc1)nn2Cc1ccccc1Cl 1865703320 SYTJSPNEVYESDV-RUZDIDTESA-N 496.998 6.259 50 10 JKGE CCOC(=O)c1c(NC(=O)/C(C#N)=C/c2ccc(Cl)cc2)sc(C(=O)Nc2ccccc2)c1C 1866128572 ZGGWKUVQUNDDFO-GHRIWEEISA-N 493.972 5.685 50 10 JKGE N#CSc1ccc(Nc2cc(N3CCO[C@H](c4ccncc4)C3)nc(-c3ccccc3)n2)cc1 1868364930 IKQSEGZTXQGCTM-QHCPKHFHSA-N 466.570 5.433 50 10 JKGE C[C@H](c1cccs1)N1CCN(c2cc(Nc3ccc(SC#N)cc3)nc(-c3cccnc3)n2)CC1 1868565903 PMQXTLZKPTVWSE-LJQANCHMSA-N 499.669 5.800 50 10 JKGE CC(C)(C)N1C(=O)c2ccc(/C(O)=C(\C#N)c3nc(-c4ccc(Cl)c(Cl)c4)cs3)cc2C1=O 1872748566 CQLSBWSYWSWLAJ-SILNSSARSA-N 498.391 6.461 50 10 JKGE CC(C)(C)c1ccc(OCCC/C(O)=C(\C#N)c2nc(-c3c[nH]c4ccccc34)cs2)cc1 1872753155 JKEZWQJPAJFDIR-DAFNUICNSA-N 457.599 7.241 50 10 JKGE CCOC(=O)c1ccc(N2C[C@@H](/C(O)=C(\C#N)c3nc(-c4c[nH]c5ccccc45)cs3)CC2=O)cc1 1872753496 ZQLAVSZZEWULJU-MQPOEVEDSA-N 498.564 5.314 50 10 JKGE CC[C@@H](C)N1C(=O)c2ccc(/C(O)=C(\C#N)c3nc(-c4cc(C)cc(C)c4OC)cs3)cc2C1=O 1872755104 YPUQYRHIALQGEX-DLTPIXJPSA-N 487.581 5.780 50 10 JKGE COC(=O)c1ccc(/C=C/C(O)=C(\C#N)c2nc(-c3cc(C)c(Cl)cc3OC)cs2)cc1 1872756859 DVQYRXWTOCRYQM-FFZTXCBISA-N 466.946 6.073 50 10 JKGE N#C/C(=C\c1ccccc1OCc1ccc(Cl)cc1)c1nc(-c2ccc3c(c2)OCCO3)cs1 1872792233 MJIORKNFLDJIFF-FYJGNVAPSA-N 486.980 6.878 50 10 JKGE CCOc1ccc(-c2csc(/C(C#N)=C/c3cccc(OC)c3OCC)n2)c(OCC)c1 1872793622 KIVWRIITJQUEMC-QGOAFFKASA-N 450.560 6.079 50 10 JKGE COc1cc(Br)cc(/C=C(\C#N)c2nc(-c3ccc(OC)c4ccccc34)cs2)c1O 1872795024 IWRDSQXNHBPOEX-OQLLNIDSSA-N 493.382 6.513 50 10 JKGE CCCCCCCCCOc1ccc(/C=N/NC(=O)[C@H](C)NC(=O)OC(C)(C)C)c(Cl)c1 1873794669 UEZVTZZMFQSDQG-WYZSWBMLSA-N 468.038 5.833 50 10 JKGE COc1ccc(/C=C/C(O)=C(\C#N)c2nc(-c3cc(OC)ccc3OC)cs2)c(OC)c1 1873920460 GEEVWFQZBYLMIC-YVNTYLKSSA-N 450.516 5.351 50 10 JKGE COc1cc([C@H](Cl)c2sc(Br)c(C)c2Br)ccc1Br 1876919119 OTMPJEWSPPKSAJ-NSHDSACASA-N 489.454 6.681 50 10 JKGE CC(C)(C)OC(=O)N[C@@H](CBr)[C@@H]1CCC2(CCN(C(=O)OC(C)(C)C)CC2)C1 1885098369 YAGIHKHDOURCQT-CVEARBPZSA-N 461.441 5.092 50 10 JKGE COCCOc1ccc([C@@H](Br)[C@H]2C[C@H](Br)C2)cc1Br 1887748030 AVFDCOCLUFMJCK-JTNHKYCSSA-N 457.000 5.084 50 10 JKGE Brc1cc([C@@H](Br)[C@H]2C[C@@H](Br)C2)sc1Br 1893106078 CTMQPYLDWWHBTR-UUEMRFSQSA-N 467.846 5.883 50 10 JKGE Cc1cc(Br)sc1[C@H](Br)c1cc(I)sn1 1909863293 HOZRISTTYASPHA-MRVPVSSYSA-N 479.000 5.364 50 10 JKGE Brc1cccc(C[C@@H]2CCCCCCCC[C@@H]2Br)c1Br 1913417056 RIBZBVNEDJMCLQ-ZFWWWQNUSA-N 467.083 7.268 50 10 JKGE CC(C)[C@@H](CBr)N(Cc1ccccc1)S(=O)(=O)c1cscc1Br 1915306916 BNEHZIHVPCFUQI-OAHLLOKOSA-N 481.275 5.121 50 10 JKGE Brc1cc(Br)c([C@@H](Br)[C@H]2CCc3ccccc3C2)s1 1922953305 BQEQUBAFZUQNCQ-FZMZJTMJSA-N 465.048 6.514 50 10 JKGE CCCCCCCC[C@@H](Br)c1c(Br)sc(Br)c1Cl 1923055514 UVFIGBRCIJHKCO-SECBINFHSA-N 481.519 8.113 50 10 JKGE COCc1csc([C@@H](Cl)c2c(Br)sc(Br)c2Cl)c1 1923066923 WRFYZYSKHBLGRB-MRVPVSSYSA-N 451.032 6.463 50 10 JKGE Cl[C@H](c1c(Br)sc(Br)c1Br)[C@@]12COC[C@H]1C2 1924608165 DXIRELFHYMXNNN-XNSGURDHSA-N 451.405 5.352 50 10 JKGE CC(C)(C[C@@H](Br)c1cc(Br)sc1Br)C(F)(F)F 1945244470 NATKZUYTJDYIPL-ZCFIWIBFSA-N 458.963 6.688 50 10 JKGE CC(C)(C)OC(=O)NCCSSCCNCc1ccc(Cl)c(Br)c1 2010824897 BSEPILSPMXPBFS-UHFFFAOYSA-N 455.871 5.098 50 10 JKGE Brc1cccc([C@H](Br)c2ccc(Br)cc2Br)c1 2024296036 XPGBHRAYSYHEIA-ZDUSSCGKSA-N 483.823 6.458 50 10 JKGE CCCCC[C@@H](CC)O[C@@]1(CI)CCCN(C(=O)OC(C)(C)C)C1 2026329623 TTWGPQXOFYFQLX-VQIMIIECSA-N 453.405 5.567 50 10 JKGE Cc1c(Br)sc([C@@H](Br)[C@]2(C)CCCC2(F)F)c1Br 2048971927 VZZFVHTWVNVCGU-KOLCDFICSA-N 467.011 6.843 50 10 JKGE O=S(=O)(c1ccc(Br)c(CBr)c1)N(Cc1ccccc1)CC1CCC1 2059391061 XHDFJINXIIUIHR-UHFFFAOYSA-N 487.257 5.335 50 10 JKGE COC[C@@H]1CC[C@H]([C@@H](Cl)c2c(Br)sc(Br)c2Br)C1 2061293793 UDFVDFBANZPTPD-MATHAZKKSA-N 481.475 6.378 50 10 JKGE Cc1c(Br)sc([C@@H](Br)C2(F)CC3(CCC3)C2)c1Br 2064541154 SHROIZZDYMTRCA-SNVBAGLBSA-N 461.032 6.690 50 10 JKGE Cc1cc(Cl)c(Br)cc1[C@H](Br)c1cn(C)nc1Br 2082378305 YSUPNWXBYFYAHN-NSHDSACASA-N 457.391 5.391 50 10 JKGE FC1(F)C[C@]12CC[C@@H]([C@@H](Cl)c1c(Br)sc(Br)c1Cl)C2 2099913781 AOXUGRWVCSLXBC-DEHACQHWSA-N 454.989 7.032 50 10 JKGE Cc1cc([C@@H](Br)c2c(Br)cc(F)c(F)c2F)c(Br)s1 2101000669 GZBXHQUVGXSGTE-SECBINFHSA-N 478.953 6.483 50 10 JKGE Brc1cc(Br)c([C@H](Br)[C@@H]2CC3(CCCCC3)CO2)s1 2109966393 YRJMZQDZKFNGHG-CMPLNLGQSA-N 473.068 6.449 50 10 JKGE Fc1ccc(I)cc1[C@@H](Br)Cc1cccc(Cl)c1F 2113473870 VYUFCALBUKLSSS-NSHDSACASA-N 457.483 5.902 50 10 JKGE Cc1cc(Br)c(CBr)c(Oc2ccc(Br)c(Cl)c2)c1 2116825325 BQPLFFIOYLGFNS-UHFFFAOYSA-N 469.398 6.861 50 10 JKGE CO[C@@H]1CC([C@H](Br)c2cc(Br)ccc2Br)C[C@H]1OC 2118278115 CVZZBNDHGLCGGB-MCIONIFRSA-N 457.000 5.088 50 10 JKGE O=C(N[C@H](CBr)c1cccs1)c1cc(Br)cc(Br)c1 2119041553 ZQAQNNZRKWEORG-LLVKDONJSA-N 468.008 5.139 50 10 JKGE Cc1nc([C@@H](Cl)c2c(C)c(Br)cc(C)c2Br)c(Br)s1 2136369438 JSLSPQTZMUVPHE-NSHDSACASA-N 488.470 6.684 50 10 JKGE Cc1cc(Br)c(C)c([C@H](Br)[C@H]2C[C@]2(C)C(F)F)c1Br 2136380502 VBNHDRHOEHKVRX-RGZBUGHASA-N 460.982 6.556 50 10 JKGE Cc1c(Br)ccc([C@@H](Br)C[C@H]2CC(C)(C)CO2)c1Br 2138861095 GBJKAOFXRZVSOO-GWCFXTLKSA-N 455.028 6.161 50 10 JKGE Fc1cc(Cl)c([C@@H](Cl)c2cc(I)ccc2Br)cc1Cl 2139422941 AJHRUAFPXXSRBC-ZDUSSCGKSA-N 494.356 6.828 50 10 JKGE Brc1scc([C@@H](Br)Cc2ccc3ccccc3n2)c1Br 2150341626 HPFWHNIJBOTWLX-LBPRGKRZSA-N 476.031 6.500 50 10 JKGE Fc1ccc(I)cc1[C@@H](Cl)c1csc2c(Br)cccc12 2169668020 LRTIEVIOQQBGMK-CQSZACIVSA-N 481.555 6.736 50 10 JKGE CCc1cccc(CBr)c1OCc1cc(Br)ccc1Br 2175143049 XDRJHIOHPGYYRO-UHFFFAOYSA-N 463.007 6.248 50 10 JKGE C[C@@H](c1cccs1)N(Cc1ccccc1)S(=O)(=O)N1CCC[C@H](CCBr)C1 2179953592 BZQJEJKYUWFYPH-PKOBYXMFSA-N 471.486 5.053 50 10 JKGE COc1ccc([C@@H](Br)c2ccc(Br)c(OC)c2)c(Br)c1 2192151047 KTQVDIYPJCGHMP-HNNXBMFYSA-N 464.979 5.713 50 10 JKGE COc1cc(Cl)c([C@@H](Br)c2nn(C)c(Cl)c2Cl)cc1Br 2202363345 GKCYSBKTBBHGHQ-SECBINFHSA-N 463.384 5.636 50 10 JKGE COc1cc(F)c([C@H](Br)c2ccc(C)cc2Br)cc1Br 2202904963 YZAIWLBANCYUQL-OAHLLOKOSA-N 466.970 6.152 50 10 JKGE Cc1c(Br)ccc([C@H](Br)[C@@H]2CC[C@@H]3[C@H](C2)C3(F)F)c1Br 2203690352 DCZBSMMJCVSPOO-GCDPNZCJSA-N 472.993 6.637 50 10 JKGE Cc1c(Br)ccc([C@@H](Cl)c2ccsc2S(C)(=O)=O)c1Br 2203701146 FIIOECHSEQHPSZ-GFCCVEGCSA-N 458.624 5.313 50 10 JKGE CCn1cc(Br)c([C@@H](Br)c2cc(C)cc(Br)c2OC)n1 2203814871 NPNXCKNPKQVPDM-LBPRGKRZSA-N 466.999 5.229 50 10 JKGE Brc1sc([C@H]2[C@H]3CC[C@@H](C3)[C@H]2Br)c(Br)c1Br 2212188969 GRYJCDPGIDCHDC-ZTYPAOSTSA-N 493.884 6.313 50 10 JKGE Clc1cc(Br)c([C@H](Br)C2(Br)CCC2)c(Cl)c1Cl 2212840615 YRIBXQDNHCBFGP-JTQLQIEISA-N 486.256 7.163 50 10 JKGE COc1sc([C@H](Cl)c2cc(C)ccc2I)cc1Br 2224056369 WNBYESMUZANZLR-GFCCVEGCSA-N 457.558 5.760 50 10 JKGE Fc1cc(Br)c(Br)cc1[C@H](Br)CC[C@@H]1CCCCO1 2225615902 AUVYWWFGGDVDDD-GXSJLCMTSA-N 458.991 6.136 50 10 JKGE Fc1cc(Br)c(Br)cc1[C@@H](Br)c1cc(Cl)cc(Cl)c1 2225634700 QKDVDFPRHUKWIH-ZDUSSCGKSA-N 491.807 7.142 50 10 JKGE COc1ccc([C@H](Br)c2sc(C)c(Br)c2C)c(Br)c1 2226086971 WTFBQOJGEKNOJT-ZDUSSCGKSA-N 469.036 6.383 50 10 JKGE CC[C@@H]1OCC[C@H]1[C@H](Br)c1c(Br)cc(C)c(Br)c1C 2227349359 RJSLZQUSJJJQKJ-GMXABZIVSA-N 455.028 6.080 50 10 JKGE Cc1cc(Br)c([C@H](Br)[C@H]2Cc3ccccc32)c(C)c1Br 2235597934 FPDMHPZOOGCCEP-SUMWQHHRSA-N 459.019 6.604 50 10 JKGE Cc1cc(Br)c([C@H](Br)[C@@H]2C[C@@H]2C2CCCC2)c(C)c1Br 2235611593 KWQOFUABVCMONL-PBFPGSCMSA-N 465.067 7.091 50 10 JKGE COc1cc(Br)c([C@H](Br)c2cccc(F)c2Br)cc1C 2236013209 VSQQHRYIJAIMPG-CQSZACIVSA-N 466.970 6.152 50 10 JKGE COc1ncc(CC(CBr)(CBr)c2ccccc2Br)s1 2239974143 DKDCARMXJBCWTN-UHFFFAOYSA-N 484.051 5.185 50 10 JKGE Clc1c(Br)ccc(CBr)c1O[C@H]1CCN(Cc2ccccc2)C1 2244769513 MAQWSWLXOHVQPF-HNNXBMFYSA-N 459.609 5.651 50 10 JKGE COc1c(Br)cc(Cl)cc1[C@@H](Br)c1ccsc1Br 2253401668 DYAIADLAENLPBO-JTQLQIEISA-N 475.427 6.419 50 10 JKGE Cc1sc([C@@H](Br)c2nn(C)c(Cl)c2Br)c(Br)c1C 2253494988 HAQZJPMIOBXMTE-ZETCQYMHSA-N 477.447 5.761 50 10 JKGE CCc1cc([C@H](Br)c2c(F)cccc2Br)sc1Br 2255988032 GZALSYOLLYNXCZ-LBPRGKRZSA-N 457.000 6.459 50 10 JKGE C[C@@H](Cl)c1nc2cc(CF)ccc2n1CCCN(Cc1ccccc1)Cc1ccccc1 2256333345 MMCQQRNFZBWWFK-OAQYLSRUSA-N 450.001 6.898 50 10 JKGE Cc1cc(Br)c(C)c([C@@H](Br)[C@H]2CCC(F)(F)C2)c1Br 2277726366 AHXZUJIJNHZQEB-ZANVPECISA-N 460.982 6.700 50 10 JKGE COc1ccc([C@H](Br)c2cc(Cl)c(Br)s2)c(Cl)c1OC 2283449040 MIXQTWYYRMJOPK-JTQLQIEISA-N 461.002 6.319 50 10 JKGE COc1c([C@@H](Br)c2cc(Br)n(C)n2)cc(Br)c(C)c1C 2284522869 JNWMTISHQMZGKB-CYBMUJFWSA-N 466.999 5.055 50 10 JKGE Fc1ccc(C[C@H](Br)c2c(F)cc(Br)c(F)c2Br)cc1 2288373715 LWIBAIUQCZLYSG-VIFPVBQESA-N 472.924 6.308 50 10 JKGE FC(F)(F)c1ncc([C@H](Br)Cc2cc(Br)cc(Br)c2)s1 2295336132 RUBULKKNJNRMNZ-SECBINFHSA-N 493.968 6.366 50 10 JKGE Cc1cccn2c(=O)c(C=C(C#N)C(=O)N3CCCCC3)c(Oc3ccc(C(C)(C)C)cc3)nc12 2296719332 DPKPQMHMHNEWSP-UHFFFAOYSA-N 470.573 5.012 50 10 JKGE CCCOc1ccc(-c2nn(-c3ccccc3)cc2C=C(C#N)S(=O)(=O)c2ccccc2)cc1 2296728720 JFXALAQOBBDTJS-UHFFFAOYSA-N 469.566 5.666 50 10 JKGE CCOc1ccc(-c2nn(-c3ccccc3)cc2C=C(C#N)C(=O)NCc2ccccc2)cc1C 2296729373 FHRTUZBXFYRAGE-UHFFFAOYSA-N 462.553 5.470 50 10 JKGE Cc1ccc2nc(C(C#N)=Cc3cn(Cc4ccc(Cl)cc4Cl)c4ccccc34)[nH]c2c1 2296737789 SOFXOPONZNVUGV-UHFFFAOYSA-N 457.364 7.245 50 10 JKGE CCOC(=O)c1c(NC=C(C#N)c2nc(-c3ccc(Cl)cc3Cl)cs2)sc(C)c1C 2296790015 JMXFGQVOIVNTBP-UHFFFAOYSA-N 478.426 6.949 50 10 JKGE CCOc1cc(C=C(C#N)C(=O)Nc2cc(Cl)ccc2OC)ccc1OC(=O)c1cccs1 2297616702 BRFOXUIOHVKTLI-UHFFFAOYSA-N 482.945 5.574 50 10 JKGE COc1ccc(C=C(C#N)C(=O)Nc2c(C)cc(C)cc2C)cc1CSc1ccc(C)cc1 2297616736 LMWYRAILUMNMDC-UHFFFAOYSA-N 456.611 6.767 50 10 JKGE Cc1coc(C)c1[C@@H](Br)c1cc(Br)ccc1OCc1ccccc1 2299503274 DKBOLOHAKAAKFL-FQEVSTJZSA-N 450.170 6.722 50 10 JKGE Clc1c(Br)sc(Br)c1[C@H](Br)[C@H]1CC[C@@H]2C[C@H]1CO2 2312748346 PMLSUYQBQGNNEY-VOQBNFLRSA-N 479.459 6.178 50 10 JKGE CCc1ccc(NC(=O)C(C#N)=Cc2cc(Br)c(O)c(Br)c2)cc1 2313511323 AVGBLLXAHNCBLI-UHFFFAOYSA-N 450.130 5.025 50 10 JKGE CCOc1cc(C=C(C#N)C(=O)Nc2ccc(F)cc2)ccc1OCc1c(Cl)cccc1Cl 2313630418 LNRQZARGZNMMJM-UHFFFAOYSA-N 485.342 6.656 50 10 JKGE N#CC(=Cc1ccc(-c2cccc(C(F)(F)F)c2)o1)C(=O)Nc1ccc(Cl)c(Cl)c1 2314571656 JPHYYLYDRCTACE-UHFFFAOYSA-N 451.231 6.818 50 10 JKGE COc1ccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)C=Cc4ccccc4Cl)ccc32)cc1 2314634302 ZQHFDUHKRDGYNY-VWLOTQADSA-N 458.901 5.186 50 10 JKGE CC1(C)[C@H]2CC[C@@H](C2)[C@H]1[C@@H](Br)c1sc(Cl)cc1I 2316773808 BPBPEIUHSIWTNT-RJVLYZLMSA-N 459.618 6.514 50 10 JKGE FC1CC(CBr)(COCc2cc(I)ccc2Br)C1 2318982394 MIPCUBUNIPVWAI-UHFFFAOYSA-N 491.964 5.084 50 10 JKGE C[C@H]1CC2CC([C@@H](Br)c3cc(Br)ccc3OCc3ccccc3)(C2)O1 2319568836 HGHMXGMKFKGGHI-PUVDAXMCSA-N 466.213 6.422 50 10 JKGE COc1ccc([C@H](Cl)c2csc(C)c2Br)cc1I 2320419693 JTUCNYUSMUGPAY-ZDUSSCGKSA-N 457.558 5.760 50 10 JKGE CC[C@@H]1CN(C(=O)OCc2ccccc2)[C@H](CC)CN1C[C@H](CBr)CC(C)C 2328522375 HRWPTTHFYIMRMP-BHDDXSALSA-N 453.465 5.555 50 10 JKGE CCOc1cc(C=NNC(=O)CCCCCNC(=O)OC(C)(C)C)ccc1OCc1ccc(C)cc1 2328801164 MUWNPSXOJXOKQD-UHFFFAOYSA-N 497.636 5.508 50 10 JKGE C[C@@H](c1ccccc1)N1C[C@H](C(O)=C(C#N)c2nc(-c3ccc4ccccc4c3)cs2)CC1=O 2331237966 XQXCVIUODPNULK-FDDCHVKYSA-N 465.578 6.366 50 10 JKGE CCCOc1ccc(-c2csc(C(C#N)=C(O)c3ccc(Cl)c(Cl)c3)n2)cc1OCCC 2331293198 FXUWYYGJVQSESV-UHFFFAOYSA-N 489.424 7.644 50 10 JKGE CCOC(=O)Oc1ccc(C(O)=C(C#N)c2nc(-c3cc(Cl)c(OC)cc3OC)cs2)cc1 2331377616 SXFMRSBGSXYCHW-UHFFFAOYSA-N 486.933 5.966 50 10 JKGE COc1cc(C=C(C#N)c2nc(-c3cccc(Cl)c3)cs2)ccc1OCc1ccc(C)cc1 2331439875 YPWSIUPFHXIFHE-UHFFFAOYSA-N 472.997 7.424 50 10 JKGE CCCCCOc1ccc(C=C(C#N)c2nc(-c3ccc(OCCC)cc3)cs2)cc1OCC 2331445083 CXDUTCQGRCZSRR-UHFFFAOYSA-N 476.642 7.631 50 10 JKGE COc1cc(C=C(C#N)c2nc(-c3ccc4c(c3)OCO4)cs2)ccc1OCc1ccc(C)cc1 2331453716 AAOYNYMANRNWOW-UHFFFAOYSA-N 482.561 6.499 50 10 JKGE COc1ccc(C(C)(C)C)cc1-c1csc(C(C#N)=Cc2ccc(Br)cc2)n1 2331462682 DRPZWFHPNCZSNZ-UHFFFAOYSA-N 453.405 6.943 50 10 JKGE CO[C@H]1C[C@@H]([C@H](Br)c2ccc(OCc3ccccc3)cc2Br)C[C@H]1OC 2336078170 ONNQTCNGCSFVGS-ZFCZOSEKSA-N 484.228 5.904 50 10 JKGE Fc1c(Br)cc(Cl)c([C@@H](Br)[C@@H]2C3C[C@@H]4C2[C@@H]4C3)c1Br 2337085876 FFBCCWCTJAHZCO-CZILZZGJSA-N 473.405 6.342 50 10 JKGE Cc1coc(C)c1[C@@H](Br)c1c(Cl)cc(Br)c(F)c1Br 2337113237 WUPQRQUSNGYOHF-LLVKDONJSA-N 475.377 6.698 50 10 JKGE Cc1cc(Br)c(F)c(Br)c1[C@H](Br)[C@@H]1CCC[C@H]2C[C@@H]21 2339679970 QYQSBAPUVKCLRV-MPXOCVNLSA-N 455.003 6.531 50 10 JKGE CC(C)[C@H](Br)C(C)(C)CNC(=O)c1cc(Br)c(Br)s1 2340448807 JNHAUVGQPWTRGB-JTQLQIEISA-N 476.072 5.449 50 10 JKGE CC[C@@H](Cl)[C@@H]1CCCCN1Cc1ccc(I)c(Br)c1 2349829431 NZRBMEPDZHDPHN-HIFRSBDPSA-N 456.593 5.426 50 10 JKGE Cc1cc(OCc2ccc(I)c(Br)c2)cc(CBr)n1 2350057279 CNNADVUHMVHNLX-UHFFFAOYSA-N 496.968 5.231 50 10 JKGE Cc1c(Br)ccc([C@@H](Br)[C@@H]2C[C@H]2C2CCOCC2)c1Br 2358115466 YZFUJKQVONXACX-WOSRLPQWSA-N 467.039 6.019 50 10 JKGE Fc1cc(F)c(CBr)c(OCc2cc(Br)cc(Br)c2)c1 2362209074 FVCRMXCMHIXWJL-UHFFFAOYSA-N 470.933 5.964 50 10 JKGE Cc1ccc(C[C@H](CBr)Cc2ccc(Cl)cc2I)cc1 2366714441 IRJMAMMXBCOYEQ-AWEZNQCLSA-N 463.584 6.049 50 10 JKGE O=C(Nc1cc(F)c(CBr)cc1F)c1cc(Br)c(Br)s1 2368907562 FRXRFBKOIMJJTO-UHFFFAOYSA-N 489.961 5.699 50 10 JKGE Fc1cc([C@@H](Cl)c2cc(Br)c(Br)cc2F)c(Cl)cc1Cl 2379735027 OQSPIFMWJIYAGZ-CYBMUJFWSA-N 465.346 7.125 50 10 JKGE Cc1cc(Br)c(C(C)C)cc1[C@H](Br)c1cnn(C)c1Br 2380948224 ZPDDJLADHFPECF-AWEZNQCLSA-N 465.027 5.861 50 10 JKGE COc1cc(/C=C(/C#N)c2nn(-c3ccccc3)c(N)c2C#N)ccc1OCc1ccc(Cl)cc1 6906928 UZUGCKHKBUZJQE-MOSHPQCFSA-N 481.943 5.631 50 10 JKGE CCSc1ccsc1[C@H]1C(C#N)=C(N)N(c2ccccc2Cl)C2=C1C(=O)CC(C)(C)C2 9981919 LMBAQRSNPKPVCW-FQEVSTJZSA-N 470.063 6.454 50 10 JKGE COc1ccc(/C(C#N)=C\c2ccc(OC(=O)C(Cl)(Cl)Cl)c(OC)c2)cc1OC 31902090 VRTYXERYFSSSBK-ZSOIEALJSA-N 456.709 5.052 50 10 JKGE CCOc1cc(C(=O)Oc2cccc(/C=C(/C#N)c3ccc(Cl)cc3)c2)cc(OCC)c1OCC 31903055 GYVPONPVMZRHJE-HMAPJEAMSA-N 491.971 6.819 50 10 JKGE CCCOc1cccc(-c2nn(-c3ccccc3)cc2/C=C(\C#N)S(=O)(=O)c2ccccc2)c1 35446652 QKLHAJRVEOLZIG-NLRVBDNBSA-N 469.566 5.666 50 10 JKGE CCCCOc1ccccc1C(=O)Oc1ccc2c(c1)OC(N)=C(C#N)[C@@H]2c1ccc(F)cc1 38653191 YGHIGZKYQKLFIP-RUZDIDTESA-N 458.489 5.442 50 10 JKGE CCc1ccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)COc4cc(C)cc(C)c4)ccc32)cc1 38677411 RNTHOWUZTNILDZ-MHZLTWQESA-N 454.526 5.068 50 10 JKGE COc1cc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4ccc(F)cc4)ccc32)ccc1OCC(C)C 38684135 IUGXYBLUGPXBMK-AREMUKBSSA-N 488.515 5.306 50 10 JKGE C=CCOc1ccc(C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@@H]3c2c(Cl)cccc2Cl)cc1 40529661 SINBBCHCMAODSL-HSZRJFAPSA-N 493.346 5.996 50 10 JKGE COc1cc(/C=N/NC(=O)COc2ccc(-c3ccccc3)cc2)ccc1OCCc1ccccc1 40911679 YCNPETIQKQEGPG-NJZRLIGZSA-N 480.564 5.513 50 10 JKGE CCOc1cc(/C=N\NC(=O)CC[C@@H](O)c2ccccc2)ccc1OCc1ccc(Cl)cc1 58890312 NSULVCZVQGXNCU-TYNJROEQSA-N 466.965 5.282 50 10 JKGE O=C(CCCc1ccccc1)N/N=C1/C(=O)N(C(c2ccccc2)c2ccccc2)c2ccccc21 59159951 SVHRLLWKDAVHFC-XPXRSFDGSA-N 473.576 5.666 50 10 JKGE COc1cc(/C=N/NC(=O)c2cc3ccccc3o2)ccc1OCc1ccc(Cl)c(Cl)c1 59303735 LIVJVZFBMKSQRG-UVHMKAGCSA-N 469.324 6.091 50 10 JKGE Cc1ccc(C(=O)Nc2cccc(C(=O)N/N=C/c3ccccc3OCc3ccccc3)c2)cc1 97729867 FOTQFTYMELQEHO-NDZAJKAJSA-N 463.537 5.590 50 10 JKGE O=Cc1cc([N+](=O)[O-])ccc1OC(=O)c1ccc(OCCc2ccccc2)c(Br)c1 100221077 RTPUXOAWVFUZBF-UHFFFAOYSA-N 470.275 5.011 50 10 JKGE COc1cc(N/C=C(\C#N)c2nc(-c3ccc(OC)c(OC)c3)cs2)c(OC)cc1Cl 100331357 FJKOVBCLBZFBMJ-SDNWHVSQSA-N 457.939 5.474 50 10 JKGE CCc1ccc(N2C(=O)[C@@H](Cc3ccccc3)S/C2=C(/C#N)C(=O)Nc2ccccc2OC)cc1 101246397 NOZYTGNJMDYJDG-KVILUOORSA-N 483.593 5.323 50 10 JKGE Cl[C@@H](c1cc(Br)ccc1Br)c1ccccc1I 109803476 TUTTWTHBLVJXHX-CYBMUJFWSA-N 486.372 6.144 50 10 JKGE Cc1ccc(Br)cc1[C@@H](Br)c1cc2c(cc1Br)OCCO2 115746927 FQHFNDGLGBZCEV-MRXNPFEDSA-N 476.990 5.776 50 10 JKGE Oc1ccc(CC(CBr)(CBr)c2cccc(Br)c2)cc1 127192908 UUVGDDVYLNNAGL-UHFFFAOYSA-N 463.007 5.425 50 10 JKGE Fc1cc([C@@H](Br)c2cc(Br)c(Br)s2)cc(F)c1F 128214696 LZWBFVQPXGAJTE-SECBINFHSA-N 464.926 6.175 50 10 JKGE Fc1c(F)c(F)c([C@@H](Cl)c2cc(Br)c(Br)s2)c(F)c1F 128286163 UGPZFFVXWUCWAI-YFKPBYRVSA-N 456.455 6.297 50 10 JKGE Cc1cc(Br)c([C@H](Br)c2ccc3c(c2)CCC3)cc1Br 128779525 BDHSHODDVGXBOU-QGZVFWFLSA-N 459.019 6.493 50 10 JKGE CC(C)(C)c1ccc(Cn2cccc(C(=O)N/N=C\c3cccc(Cl)c3Cl)c2=O)cc1 169921197 LFWYFUZJFSYYRO-VYYCAZPPSA-N 456.373 5.265 50 10 JKGE CC(C)(C)[Si](C)(C)OCCSc1ccccc1-c1nnc2ccc(Br)cn12 199987246 OLKHGMWEDYZPNW-UHFFFAOYSA-N 464.505 6.273 50 10 JKGE CCCCCCOC(=O)c1ccc(NC(=O)/C(C#N)=C\c2ccc(OCC)c(OC)c2)cc1 206243629 YJJGUALJAJEQRW-PGMHBOJBSA-N 450.535 5.377 50 10 JKGE CCCN1C(=O)C(C#N)=C(C)/C(=C/c2cn(-c3ccccc3)nc2C23CC4CC(CC(C4)C2)C3)C1=O 214218503 OHIVZUBQQNHVBJ-MXAYSNPKSA-N 480.612 5.342 50 10 JKGE CC1=C(C#N)C(=O)N([C@H](C)c2ccccc2)C(=O)/C1=C\c1cn(-c2ccccc2)nc1-c1ccc(C)cc1 214333428 VRCYMFXHYWFGQH-XYZKMYPFSA-N 498.586 6.201 50 10 JKGE Brc1ccc([C@H](Br)c2ccc(Br)cc2Br)cc1 232482475 CSDVKJXQUVOPIH-ZDUSSCGKSA-N 483.823 6.458 50 10 JKGE CC(C)(C)n1c(CBr)nnc1-c1ccc(Br)cc1Br 232522370 QWCCTGJMEUQIKO-UHFFFAOYSA-N 451.988 5.120 50 10 JKGE COc1ccc([C@@H](Br)c2ccoc2Br)c(OC)c1Br 234985081 JVPJVDHWWORMMU-SNVBAGLBSA-N 454.940 5.306 50 10 JKGE COc1cccc(C=NNC(=O)CSc2nc3ccccc3s2)c1OCc1ccccc1 252618648 LJHNRTHXGLFOKQ-UHFFFAOYSA-N 463.584 5.126 50 10 JKGE CCOc1ccc(C(=O)Oc2ccc(C=NNC(=O)c3ccccc3OCc3ccccc3)cc2)cc1 254508693 VEMIUOUHYBYUFG-UHFFFAOYSA-N 494.547 5.647 50 10 JKGE CC(C)(C)OC(=O)N1C[C@@H](CI)[C@H](c2ccc(Cl)c(Cl)c2)C1 382687145 GHKFYEJBOWYYDV-NEPJUHHUSA-N 456.151 5.379 50 10 JKGE Cc1ccc([C@H]2CN(C(=O)OCc3ccccc3)C[C@H]2CCl)cc1I 382702914 PWJRXYQQOJYTGD-QZTJIDSGSA-N 469.750 5.191 50 10 JKGE Cc1cc(F)ccc1COc1c(Br)cc(Br)cc1CBr 383726524 FILJHLJEGSUHOK-UHFFFAOYSA-N 466.970 6.133 50 10 JKGE C[C@@H](CCOCc1ccccc1)n1c([C@@H](C)Cl)nc2cc(I)c(F)cc21 389615423 UXOTUPZTLRJUOU-UONOGXRCSA-N 486.756 6.248 50 10 JKGE Cc1cc(F)c([C@H](Br)c2ccc(Br)cc2Br)cc1C 395871680 YTNRPHYDRHMORY-OAHLLOKOSA-N 450.971 6.452 50 10 JKGE BrCC(CBr)(CCC[C@@H]1CCOC1)c1ccccc1Br 400644885 LSKVDQAQXOLOEW-CYBMUJFWSA-N 469.055 5.684 50 10 JKGE CCOC(=O)NN=C1C=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 607746995 ZGBFIPQSPKDRKC-WYHANQCDSA-N 454.655 6.427 50 10 JKGE Fc1ccc([C@@H](Cl)c2cc(Br)ccc2Br)c(F)c1Br 691541722 ONPKNCIOKZZVFD-GFCCVEGCSA-N 475.352 6.581 50 10 JKGE COc1ccc(Br)cc1Oc1ccc(CBr)cc1Br 704339388 WILOCFWSHPZVSS-UHFFFAOYSA-N 450.952 5.907 50 10 JKGE Brc1ccc([C@@H](Br)c2scc(Br)c2Br)s1 705408038 FIXGRFSCXAWBOP-MRVPVSSYSA-N 495.881 6.581 50 10 JKGE BrCc1c(Br)cccc1N1C[C@H]2CC[C@H]1[C@@H]1CN(Cc3ccccc3)C[C@@H]21 705886864 UAQVHRVILXYKBE-JWRIFHQMSA-N 490.283 5.691 50 10 JKGE CC(C)Cc1ccc([C@H](Cl)c2ccc(I)c(Br)c2)cc1 721571327 GBKZZFNLJBREKT-KRWDZBQOSA-N 463.584 6.580 50 10 JKGE O=C([C@@H](c1cccs1)N(C(=O)CCl)c1cccc(C(F)(F)F)c1)N1Cc2ccccc2C1 725239812 FKTBIWPXFSNAGK-OAQYLSRUSA-N 478.923 5.622 50 10 JKGE CC(=NNC(=O)[C@H](C)SCc1ccccc1)c1ccc2c(c1)[C@@H]1C=CC[C@@H]1[C@H](c1ccc(F)cc1)N2 725384379 DRNFWIJUNWUDPS-YIPSIMJMSA-N 499.655 6.814 50 10 JKGE Cc1cccc(COc2ccc(Cl)cc2/C=C(/C#N)C(=O)Nc2ccc(Cl)c(Cl)c2)c1 1083908877 LEGZYVNZIBAZRW-ZDLGFXPLSA-N 471.771 7.080 50 10 JKGE N#C/C(=C/c1cc(Br)ccc1OCc1ccccc1F)C(=O)Nc1ccc(F)cc1 1084096137 RPNBSNCKDJHYGQ-BOPFTXTBSA-N 469.285 5.852 50 10 JKGE CCCCCCCC(=O)NN=C1C(=O)N(CCc2ccccc2)c2ccc(Br)cc21 1084172820 UNHFTVRANJTUQF-UHFFFAOYSA-N 470.411 5.219 50 10 JKGE O=C(NN=Cc1ccc(Oc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])cc1)c1cccc2ccccc12 1084183333 QDQOKBAXFSVIPD-UHFFFAOYSA-N 456.414 5.212 50 10 JKGE Cc1ccc(C(C)C)c(OCC(=O)NN=Cc2c(C)nn(Cc3ccccc3Cl)c2C)c1 1084257279 MJLJLLWXTVQDJI-UHFFFAOYSA-N 452.986 5.163 50 10 JKGE CCc1cc(Br)ccc1-c1ccc(/C=C(/C#N)C(=O)Nc2ccc(Cl)cc2)o1 1084542517 CXKICLPXBLJCIG-QINSGFPZSA-N 455.739 6.471 50 10 JKGE CCCCOc1ccc([C@@H]2CN(C(=O)OCc3ccccc3)C[C@@H]2CI)cc1 1614620372 YYIKISGXSHQELB-UNMCSNQZSA-N 493.385 5.653 50 10 JKGE Cc1cc(OC(=O)c2oc3c(c2C)C(=NNC(=O)c2ccc4ccccc4n2)CCC3)ccc1Cl 1772751370 QCFOUOSHWHBSLC-UHFFFAOYSA-N 487.943 5.788 50 10 JKGE CCCc1nn(-c2ccccc2Cl)c2c1[C@@H](c1ccc(OCc3ccccc3)cc1)C(C#N)=C(N)O2 1865690447 RRFJKUHTZVNZAC-SANMLTNESA-N 496.998 6.275 50 10 JKGE CCCCCOc1ccc([C@@H]2C(C#N)=C(N)Oc3c2c(-c2ccccc2)nn3-c2ccc(C)cc2)cc1 1865690638 XRFKAPWWTSXMTN-HHHXNRCGSA-N 490.607 6.635 50 10 JKGE CCCOc1cccc([C@H]2C(C#N)=C(N)Oc3c2c(-c2ccccc2)nn3-c2cccc(Cl)c2)c1 1865693001 HGNLNDNXRHIZTM-DEOSSOPVSA-N 482.971 6.200 50 10 JKGE CCOc1ccc([C@H]2C(C#N)=C(N)Oc3c2c(CC)nn3-c2cccc3ccccc23)cc1OC 1865695189 MGELJBYWSRXLFC-VWLOTQADSA-N 466.541 5.213 50 10 JKGE Cc1nn(-c2cccc3ccccc23)c2c1[C@H](c1ccc(OC(=O)c3ccccc3)cc1)C(C#N)=C(N)O2 1865705418 VLAWZBYNSXGDMQ-MUUNZHRXSA-N 498.542 5.771 50 10 JKGE COc1ccc(-c2nn(Cc3cccc(F)c3)c3c2[C@H](c2ccc(F)cc2)C(C#N)=C(N)O3)cc1 1865707726 DSMAPGLYCVREQR-HSZRJFAPSA-N 470.479 5.103 50 10 JKGE COc1ccc(-c2nn(Cc3cc(C)ccc3C)c3c2[C@@H](c2cccc(OC)c2)C(C#N)=C(N)O3)cc1 1865712097 PKMSXTQNIUIOPA-SANMLTNESA-N 492.579 5.451 50 10 JKGE C/C(=N/NC(=O)c1ccc(-c2ccc(Cl)cc2Cl)nc1C)c1ccc(-c2ccccc2)cc1 1865763496 OIUQTHDVHMDDOF-LJUMEUDFSA-N 474.391 7.185 50 10 JKGE COc1ccc([C@@H](C(=O)N[C@@H](C(=O)Nc2ccc(SC#N)cc2)c2ccccc2)C2CCCC2)cc1 1867012358 XQHCRMQWTITUJJ-RRPNLBNLSA-N 499.636 6.038 50 10 JKGE CCCc1nc(Nc2ccc(SC#N)cc2)cc(N2CCC(=O)c3cc(C(C)(C)C)ccc32)n1 1868387930 CSFKWRLQBQCYMJ-UHFFFAOYSA-N 471.630 6.768 50 10 JKGE COc1ccc(/C=C/C(O)=C(\C#N)c2nc(-c3ccc(Br)cc3)cs2)cc1OC 1872746520 LUCAHJCZGCEWGR-GMFXSYTESA-N 469.360 6.096 50 10 JKGE CC(C)C[C@@H](/C(O)=C(\C#N)c1nc(-c2ccccc2Cl)cs1)N1C(=O)c2ccccc2C1=O 1872746528 MDUQNMAOVHGUAP-UEBMVEOSSA-N 477.973 5.967 50 10 JKGE C[C@@H](Oc1ccc(Cl)cc1Cl)/C(O)=C(\C#N)c1nc(-c2ccc([N+](=O)[O-])cc2)cs1 1872747030 KTFVGFNGJHKKKT-QNPMFDGYSA-N 462.314 6.285 50 10 JKGE CC(C)C[C@@H](/C(O)=C(\C#N)c1nc(-c2ccc(Cl)cc2)cs1)N1C(=O)c2ccccc2C1=O 1872748136 JYOLLZBPZTXXBJ-NNWMPZTLSA-N 477.973 5.967 50 10 JKGE COc1cc(C)c(-c2csc(/C(C#N)=C(\O)COc3ccc(Cl)cc3)n2)cc1C(C)C 1872753812 OAORAVFQNRNJCJ-XDOYNYLZSA-N 454.979 6.776 50 10 JKGE Cc1ccc(C(C)(C)C)cc1-c1csc(/C(C#N)=C(\O)CNC(=O)c2ccc(C(C)(C)C)cc2)n1 1872756195 UJVIXVCUEROJJB-BZZOAKBMSA-N 487.669 6.936 50 10 JKGE CCCOc1ccc(/C=C(\C#N)c2nc(-c3ccc(OC)c(OC)c3)cs2)cc1OCC 1872781381 CFMWKTCYUBCWOV-XDHOZWIPSA-N 450.560 6.079 50 10 JKGE Clc1c(Br)sc(Br)c1[C@H](Br)[C@@H]1C[C@H]1Br 1877356166 MBVMQJKMXZZVKQ-PAKKCRSFSA-N 488.264 6.146 50 10 JKGE C[C@@H]1C[C@H]1[C@@H](Cl)c1c(Br)c(Br)cc(Br)c1Br 1898079308 ZUIMWYNZRULHSE-RDSNPXOSSA-N 496.262 6.673 50 10 JKGE CC(C)[C@@H](CBr)N(Cc1ccccc1)S(=O)(=O)c1ccc(Br)cc1 1915296091 QKXNVOBHUSODED-GOSISDBHSA-N 475.246 5.060 50 10 JKGE Fc1cc(Cl)cc([C@H](Br)c2cc(Br)sc2Br)c1 1918780570 CGJFSLZVTVJTJD-JTQLQIEISA-N 463.391 6.550 50 10 JKGE Cc1nsc(Br)c1[C@@H](Cl)c1sc(Br)cc1Br 1922907440 UHVCIKMPVZWFQK-SSDOTTSWSA-N 466.445 6.129 50 10 JKGE Fc1cc(Cl)cc([C@H](Br)c2sc(Br)cc2Br)c1 1922912751 QGVKWHQGOROVNH-JTQLQIEISA-N 463.391 6.550 50 10 JKGE Cc1c(Br)sc([C@H](Br)c2cc(Cl)sc2Cl)c1Br 1922944232 XNJJKVCXHHAWIY-SSDOTTSWSA-N 499.902 7.434 50 10 JKGE COc1cc([C@@H](Cl)c2c(Br)sc(Br)c2Br)ccc1C 1924595615 BLAYYNNNPCMZJE-LLVKDONJSA-N 489.454 6.681 50 10 JKGE Fc1ccc(Br)cc1[C@@H](Cl)c1c(Cl)sc(Br)c1Cl 1925586553 ALBAXHQFEBGVBY-MRVPVSSYSA-N 453.385 7.047 50 10 JKGE Fc1c(Br)cccc1[C@@H](Cl)c1c(Cl)sc(Br)c1Cl 1925590047 WJKOVDQREAOXAD-SSDOTTSWSA-N 453.385 7.047 50 10 JKGE Cc1cc([C@H](Br)c2sc(Cl)cc2Br)ccc1Br 1948827510 AYOOEMDAMDQJSH-NSHDSACASA-N 459.428 6.719 50 10 JKGE Cc1c(Br)sc([C@H](Br)[C@@H]2C[C@H]2C(F)(F)F)c1Br 1950756720 BEOIHXMMSJMTNG-WYDQCIBASA-N 456.947 6.216 50 10 JKGE CCc1cc(Br)c([C@@H](Cl)c2cc(Br)cc(Br)c2)s1 2029240366 VWKXKHOXJPLFSI-LBPRGKRZSA-N 473.455 6.926 50 10 JKGE C=CCC(CBr)(CBr)Cc1ccc(Cl)c(Br)c1F 2047992212 GGBOSOSBYZVZIP-UHFFFAOYSA-N 463.410 6.136 50 10 JKGE C[C@@H](CCCCCI)NCc1cccc(Br)c1Br 2054170833 OQMNJCWZATWJCL-NSHDSACASA-N 489.033 5.685 50 10 JKGE CC(C)(C)OC(=O)N1[C@H]2CC[C@H]1CC1(C2)CC2(CCC[C@H](CI)O2)C1 2065408649 FGYNPLLLYYDBHK-HRCADAONSA-N 461.384 5.071 50 10 JKGE FC(F)(F)[C@@H]1C[C@@H]1C[C@@H](Br)c1cc(Br)ccc1Br 2065500027 XQTKNRLKLFLCJT-KNBVPPQFSA-N 450.918 6.236 50 10 JKGE Cc1cc(Br)ccc1[C@@H](Br)c1c(Br)sc(C)c1C 2082884186 JSBNNOAHIJVRSV-CYBMUJFWSA-N 453.037 6.683 50 10 JKGE Cc1cc(C)c(C)c([C@@H](Br)c2cc(Br)sc2Br)c1 2082913912 HRCGWQWZZFISKR-CYBMUJFWSA-N 453.037 6.683 50 10 JKGE Fc1ccc([C@H](Br)c2ccc(Br)cc2I)cc1F 2086150256 YOBGYYNIQQATEN-ZDUSSCGKSA-N 487.907 5.816 50 10 JKGE C[C@H](Br)C[C@@H]1CCCCN1Cc1cccc(Br)c1Br 2092338952 YWLNRKHSRGJZHD-AAEUAGOBSA-N 454.044 5.740 50 10 JKGE BrC[C@@H]1C[C@H]2CCC[C@H]2N1Cc1c(Br)cccc1Br 2108394580 PEMLHYWMVPIFMF-JRPNMDOOSA-N 452.028 5.350 50 10 JKGE CCc1cc([C@@H](Br)c2cc(Br)c(Br)s2)c(F)cc1F 2118756773 ZBEMEYSNLBAICI-GFCCVEGCSA-N 474.990 6.598 50 10 JKGE CCC(CC)([C@H](Br)c1ccc(Br)cc1Br)C(F)(F)F 2138849360 JBIZLWDOAQQASF-LLVKDONJSA-N 466.961 7.016 50 10 JKGE Clc1cccc([C@@H](Br)CCc2ccc(I)c(Cl)c2)c1 2142939186 FCKSHUBPMPJZLI-ZDUSSCGKSA-N 469.975 6.667 50 10 JKGE Brc1cccc([C@H](Br)Cc2nc3ccccc3o2)c1Br 2148762105 UPEGSXUXSLKPTJ-LLVKDONJSA-N 459.963 6.032 50 10 JKGE O=C(NCc1ccc(CBr)cc1)c1c(Br)cccc1Br 2150491237 MNCXTRPRTYNIIT-UHFFFAOYSA-N 461.979 5.037 50 10 JKGE Brc1csc([C@H](Br)Cc2cc3ccccc3cn2)c1Br 2151350886 YWCBLTGGNXLZFH-GFCCVEGCSA-N 476.031 6.500 50 10 JKGE C[C@H](Cl)c1nc2cc(Cl)c(Br)cc2n1C1(CCOCc2ccccc2)CC1 2169012458 VPRSOMYZVDHNJV-AWEZNQCLSA-N 468.222 6.848 50 10 JKGE O=C(c1csc(Br)c1Br)N1C[C@H](Br)C2(CCCCC2)C1 2174362980 FELYNCDQRSWIRS-JTQLQIEISA-N 486.067 5.443 50 10 JKGE C[C@@H](Cl)c1nc2ncccc2n1-c1cc(I)ccc1Br 2175998992 XSNMBTKEMXCNQF-MRVPVSSYSA-N 462.516 5.087 50 10 JKGE CCc1ccc(CBr)cc1S(=O)(=O)N(Cc1ccccc1)Cc1cccs1 2179854483 UWRWZXGFYSMQDB-UHFFFAOYSA-N 464.450 5.597 50 10 JKGE Cc1cccc(C[C@@H](Br)c2c(C)c(Br)cc(C)c2Br)c1 2201073978 PIINBZDONKCAED-OAHLLOKOSA-N 461.035 6.816 50 10 JKGE CCC[C@H](CC(C)C)[C@H](Br)c1c(C)c(Br)cc(C)c1Br 2201081981 LSIKYTLPUNHJKU-DYVFJYSZSA-N 469.099 7.727 50 10 JKGE COc1cc(F)c([C@H](Br)c2cccc(Br)c2Cl)cc1Br 2202903814 JHGRDZZMLVPMMU-CYBMUJFWSA-N 487.388 6.497 50 10 JKGE Brc1sc([C@@H]2CCC[C@H]2Br)c(Br)c1Br 2209975933 JJJFFIIVPKCGIB-RFZPGFLSSA-N 467.846 6.067 50 10 JKGE Cc1nscc1[C@@H](Br)c1c(Br)cc(Cl)c(Cl)c1Cl 2217617770 JOFBSHHVZJLIJH-SECBINFHSA-N 450.410 6.659 50 10 JKGE Clc1cc(Br)c([C@@H](Br)CC[C@@H]2CCOC2)c(Cl)c1Cl 2224310296 GRNSFHOQTUZCPR-SFYZADRCSA-N 451.413 6.662 50 10 JKGE C[C@@H]([C@H](Br)c1c(Br)cc(Cl)c(Cl)c1Cl)[C@H]1CCCO1 2224317125 KZEJATSTCUZMHG-CGYDSVCVSA-N 451.413 6.660 50 10 JKGE COc1ccc(Br)cc1[C@@H](Cl)c1cc(Br)c(Br)cc1F 2233970473 QHYAZASLITZIII-AWEZNQCLSA-N 487.388 6.450 50 10 JKGE COc1cc(Br)c([C@H](Cl)Cc2ccccc2I)cc1C 2236019339 BYYLYUBCCNMZDF-CQSZACIVSA-N 465.556 5.893 50 10 JKGE Cc1cccc(Br)c1[C@H](Br)c1c(F)cc(F)c(Br)c1F 2236112501 ZMMSKGYLLAVOAR-ZDUSSCGKSA-N 472.924 6.422 50 10 JKGE Brc1cc2sc([C@@H](Br)c3sccc3Br)cc2s1 2252905949 VGXCDBZVTHAZBL-SNVBAGLBSA-N 473.074 7.034 50 10 JKGE Fc1cc(Br)c(F)c(Br)c1[C@H](Cl)c1ncsc1Br 2260082274 AIJLDWPITPXTIA-ZETCQYMHSA-N 482.369 6.037 50 10 JKGE Cc1cccc([C@H](Cl)Cc2cc(Br)cc(Br)c2)c1Br 2277962067 BWJMVLVDDRVLRG-CQSZACIVSA-N 467.426 6.805 50 10 JKGE COCC1([C@@H](Br)c2c(Cl)sc(Br)c2Cl)CC(F)(F)C1 2278208924 IFSBZECSUXBGSH-ZETCQYMHSA-N 458.977 6.315 50 10 JKGE Cc1cc(Br)c([C@@H](Br)Cc2ccc(Br)cc2)c(C)c1F 2279143818 HIICDQJBPNMOTC-AWEZNQCLSA-N 464.998 6.646 50 10 JKGE Cc1ccc([C@H](Br)c2cc(F)c(Br)cc2Cl)c(C)c1Br 2282900325 WKLNDIJYAXQCJF-HNNXBMFYSA-N 485.416 7.105 50 10 JKGE Cc1cc(Br)c([C@H](Cl)c2cc(Br)c(F)cc2C)cc1Br 2285940458 YWCDJWHRZSTQSK-OAHLLOKOSA-N 485.416 7.058 50 10 JKGE COc1ccc(CNC(=O)C(C#N)=Cc2c(C)n(Cc3ccccc3F)c3ccccc23)cc1 2294175270 ORZMRFFXUARAJG-UHFFFAOYSA-N 453.517 5.369 50 10 JKGE 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 2295149797 VJESLMVYXPLTHU-INZFWDIDSA-N 479.587 8.440 50 10 JKGE Cc1cc(C=C(C#N)C(=O)Nc2cc(C(F)(F)F)ccc2Cl)c(C)n1-c1ccc(Cl)cc1 2295187819 VOFABNXXYRQPIK-UHFFFAOYSA-N 478.301 6.965 50 10 JKGE COc1ccc([C@H](Br)Cc2cc(Br)cc(Br)c2)cc1Cl 2295274961 PUOMEEVEKQDHRZ-CYBMUJFWSA-N 483.425 6.552 50 10 JKGE Fc1cc(C[C@@H](Br)c2cc(Br)c(Br)cc2F)ccc1Cl 2295289835 MKKRNWGOVSQPAG-SECBINFHSA-N 489.379 6.822 50 10 JKGE C[C@@H]1CC[C@](C)([C@H](Br)Cc2cc(Br)cc(Br)c2)C1(C)C 2295344691 BZDHTXOFDNHYCO-RGYTYGDFSA-N 467.083 6.980 50 10 JKGE Cc1ccc(C)c([C@H](C)NC(=O)C(C#N)=Cc2cccn2Cc2ccc(Cl)cc2Cl)c1 2295412809 OPFWJFXXRFMWHA-SFHVURJKSA-N 452.385 6.244 50 10 JKGE CC(C)(C)c1ccc(Oc2nc3ccccn3c(=O)c2C=C(C#N)C(=O)Nc2ccccc2Cl)cc1 2296720297 LLERODCSCWBYEF-UHFFFAOYSA-N 498.970 5.983 50 10 JKGE Cc1ccc(C(C)C)c(Oc2nc3ccccn3c(=O)c2C=C(C#N)C(=O)NCc2ccccc2)c1 2297318652 YHISLHPHQMFWIM-UHFFFAOYSA-N 478.552 5.142 50 10 JKGE Clc1ccccc1[C@H](Br)c1cc(Br)ccc1OCc1ccccc1 2299492329 HXTAVVRVXVCRNP-FQEVSTJZSA-N 466.600 7.166 50 10 JKGE C[C@@]1([C@H](Br)c2cc(Br)ccc2OCc2ccccc2)COCCO1 2299498466 UAJBYCXEZVBCHE-MOPGFXCFSA-N 456.174 5.270 50 10 JKGE Cl[C@H](c1cccc(OCc2ccccc2)c1)c1cc(Br)ccc1OCc1ccccc1 2299501167 LLGUIACAPYUMOD-HHHXNRCGSA-N 493.828 7.935 50 10 JKGE CC(C)CC(CC(C)C)O[C@]1(CI)CCCN(C(=O)OC(C)(C)C)C1 2313679912 FWJWAUJXTRRHQQ-FQEVSTJZSA-N 467.432 5.669 50 10 JKGE COc1ccc(CNC(=O)C(C#N)=Cc2ccccc2OCc2ccc(Cl)cc2Cl)cc1 2313738937 ZWCMLKCBDDYKOP-UHFFFAOYSA-N 467.352 5.804 50 10 JKGE Fc1cc(Cl)c(Br)c(Cl)c1[C@@H](Cl)c1ncsc1Br 2313745921 PDWFERGGMLBNLW-MRVPVSSYSA-N 454.373 6.442 50 10 JKGE CO[C@@H]1CCC[C@H]([C@@H](Br)c2ccc(OCc3ccccc3)cc2Br)C1 2314446429 TYBSTKLPJYGOHM-CSODHUTKSA-N 468.229 6.669 50 10 JKGE N#CC(=Cc1ccc(-c2ccc([N+](=O)[O-])cc2Cl)o1)C(=O)Nc1cc(C(F)(F)F)ccc1Cl 2314572059 RORZNRKVWWBJMV-UHFFFAOYSA-N 496.228 6.726 50 10 JKGE COc1ccc(N2C(=O)[C@H](Cc3ccccc3)SC2=C(C#N)C(=O)Nc2cccc(C)c2)cc1 2314592431 TUPCGKDUCDKENY-DEOSSOPVSA-N 469.566 5.069 50 10 JKGE CC1=C(C#N)C(=O)N(CCCOC(C)C)C(=O)C1=Cc1ccc(OCc2ccccc2Cl)cc1 2314618945 XFEHEVISOCHBBR-UHFFFAOYSA-N 478.976 5.326 50 10 JKGE CCCCCOc1ccc(C=C2C(=O)N(Cc3ccc(F)cc3)C(=O)C(C#N)=C2C)cc1OCC 2314620566 QWRVARBMUYHYKC-UHFFFAOYSA-N 476.548 5.586 50 10 JKGE COC(=O)C(C#N)=Cc1cccc(OC(=O)C=Cc2ccc(OCc3ccc(C)cc3)cc2)c1 2314760718 ZJHRADLFGAXOON-UHFFFAOYSA-N 453.494 5.273 50 10 JKGE CCc1sc(NC(=O)C(C#N)=Cc2ccc(Cl)cc2)nc1-c1ccc(Br)cc1 2314793393 QUIMFQFWOHHADV-UHFFFAOYSA-N 472.795 6.334 50 10 JKGE O=C(COc1ccc(C(=O)NCc2ccccc2)cc1)NN=Cc1ccc(-c2ccccc2Cl)o1 2321698119 GMGBDBMTEQOUOX-UHFFFAOYSA-N 487.943 5.059 50 10 JKGE N#CC(=CNc1cccc2c(O)cccc12)C(=O)N1CCN(C(c2ccccc2)c2ccccc2)CC1 2324599163 HRBOOSUHCCKXED-UHFFFAOYSA-N 488.591 5.299 50 10 JKGE CCOC(=O)c1c(-c2ccc3c(c2)CCCC3)csc1NC(=O)C(C#N)=Cc1cccc(Cl)c1 2329687298 IZKYGOVUIOPAJA-UHFFFAOYSA-N 491.012 6.670 50 10 JKGE N#CC(=Cc1ccc(OCc2ccc(Br)cc2)cc1)c1cc2c(cc1[N+](=O)[O-])OCCO2 2331051554 KUKVJBCRGVUADQ-UHFFFAOYSA-N 493.313 5.772 50 10 JKGE N#CC(=C(O)Cc1cc(Cl)ccc1Cl)c1nc(-c2ccc(Br)cc2)cs1 2331259690 NSYVTZFKKYYRIN-UHFFFAOYSA-N 466.187 6.915 50 10 JKGE C[C@@H](c1ccccc1)N1C[C@@H](C(O)=C(C#N)c2nc(-c3ccc(Cl)c(Cl)c3)cs2)CC1=O 2331311781 XOTPCOYOBYHVKU-YOEHRIQHSA-N 484.408 6.519 50 10 JKGE CCOc1ccc(-c2csc(C(C#N)=C(O)C=Cc3ccc(OC)c(OC)c3)n2)c(OCC)c1 2331386648 WVOOUIGPGDIREV-UHFFFAOYSA-N 478.570 6.131 50 10 JKGE CC1(C)CCCC[C@]1(CBr)Cc1ccc(Cl)c(I)c1 2337222667 CALKYHKXEPWSHU-MRXNPFEDSA-N 455.605 6.469 50 10 JKGE Cc1cc(Br)c(F)c(Br)c1[C@H](Br)[C@H](C)[C@@H]1CCCO1 2339679719 OGEGCAQTWZLZIQ-UBHAPETDSA-N 458.991 5.910 50 10 JKGE Cc1cc(Br)c(F)c(Br)c1[C@H](Br)[C@H]1CC12CCCC2 2339682402 RVOPBAFODYLFCF-BXKDBHETSA-N 455.003 6.675 50 10 JKGE CCC[C@H]1CN(Cc2ccc(Cl)cc2I)C[C@@H]1CBr 2341012633 QMNFVDPAMIRDFH-AAEUAGOBSA-N 456.593 5.188 50 10 JKGE Fc1ccccc1[C@H](CBr)Cc1ccc(Cl)cc1I 2341027714 NHTSZKGSONOOBK-NSHDSACASA-N 453.520 5.805 50 10 JKGE Cc1cc(Br)c([C@H](Br)C[C@H]2CC[C@@H]2C2CC2)cc1Br 2342184494 FPJICYPCXNPPGC-XHBSWPGZSA-N 451.040 6.782 50 10 JKGE CCCCO[C@@H]1[C@H](Br)C[C@H]1OCc1cc(Br)cc(Br)c1 2362249010 FGFKWSMIPIMUNM-RBSFLKMASA-N 471.027 5.449 50 10 JKGE CCOc1cc(/C=C(\C#N)c2ccc([N+](=O)[O-])cc2)cc(Cl)c1OCc1ccccc1C#N 2846667 AEGLVCOPKXJULT-SRZZPIQSSA-N 459.889 6.162 50 10 JKGE Cc1ccc(P(=O)(CP(=O)(c2ccc(C)cc2)c2ccc(C)cc2)c2ccc(C)cc2)cc1 3146829 LNNZIVLCLHHDMR-UHFFFAOYSA-N 472.505 6.206 50 10 JKGE Cc1ccsc1/C=N\NC(=O)CSc1nc2ccccc2n1Cc1ccc(Cl)cc1 19849130 LKGWOQQOOYQCAN-MSXFZWOLSA-N 455.008 5.350 50 10 JKGE COc1cc(/C=C(\C#N)C(=O)NC(C)C)ccc1OC(=O)/C=C\c1ccc(OCc2ccccc2)cc1 33285794 BQZRBQQHRKULBW-XIPNIXHVSA-N 496.563 5.325 50 10 JKGE CCCOc1ccc(-c2nn(-c3ccccc3)cc2/C=C(/C#N)C(=O)NCc2ccccc2)c(C)c1 33777896 DRSBDCWULGYXGE-MOHJPFBDSA-N 476.580 5.860 50 10 JKGE CCOc1cc(/C=C(/C#N)C(=O)Nc2ccccc2C)ccc1OCCOc1cccc2ccccc12 33858807 VQMFSHUFFMOSRO-PLRJNAJWSA-N 492.575 6.550 50 10 JKGE CCCOc1ccc(-c2nn(-c3ccccc3)cc2/C=C2/C(=O)N(CC)C(=O)C(C#N)=C2C)c(C)c1 38603106 PWSKFUZJVPKRDL-PCLIKHOPSA-N 480.568 5.249 50 10 JKGE N#CC1=C(N)Oc2cc(OC(=O)c3cccc([N+](=O)[O-])c3)ccc2[C@@H]1c1ccc(Cl)c(Cl)c1 38656124 GEYUZBDPBLTJOL-NRFANRHFSA-N 482.279 5.339 50 10 JKGE N#CC1=C(N)Oc2cc(OC(=O)c3cccc([N+](=O)[O-])c3)ccc2[C@@H]1c1c(Cl)cccc1Cl 38680103 FPVBECDMHVBFHJ-FQEVSTJZSA-N 482.279 5.339 50 10 JKGE CCCCCOc1ccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4ccc(F)cc4)ccc32)cc1 38685294 BHITVCOUKPNOOK-SANMLTNESA-N 472.516 5.832 50 10 JKGE CCCCC1CCC(C(=O)N2c3ccc(C(=O)[C@@H](Br)CCC)cc3C[C@@H]2C)CC1 71432535 RDAHZXNNIDKWLD-HXTDOEILSA-N 462.472 6.707 50 10 JKGE BrC[C@@H](Cc1ccc(Br)cc1)Cc1cc(Br)cs1 97183227 ZQKQINJQXVIGHP-NSHDSACASA-N 453.037 6.069 50 10 JKGE CC[C@@H](C)N1C(=O)C(C#N)=C(C)/C(=C\c2cn(-c3ccccc3)nc2C23CC4CC(CC(C4)C2)C3)C1=O 101334290 NAUPXDAXYUPAOH-HTRYHUKXSA-N 494.639 5.731 50 10 JKGE Clc1cc(Cl)cc([C@@H](Br)c2cc(Br)sc2Br)c1 104034762 RXELPWCXUBQZDU-SNVBAGLBSA-N 479.846 7.064 50 10 JKGE CCOc1ccc(Br)cc1[C@H](Br)c1ccccc1I 109871819 PKSHKUBOVZAGNS-OAHLLOKOSA-N 495.980 5.937 50 10 JKGE C[C@H](CCBr)CCOc1c(I)cc(Cl)c2cccnc12 116049230 MKLIZTFGKIQGKM-SNVBAGLBSA-N 468.560 5.683 50 10 JKGE Fc1ccc(C(CBr)(CBr)Cc2cccc(Br)c2)cc1 118877346 TUXOQXMSOHTHBK-UHFFFAOYSA-N 464.998 5.859 50 10 JKGE COc1c(C)cc(Br)c(C)c1[C@@H](Br)c1ccc(F)cc1Br 125683951 MRQDLOFNOWKQCZ-HNNXBMFYSA-N 480.997 6.460 50 10 JKGE COc1c(Br)cc(Br)cc1/C=C(/CBr)C1CCCCC1 127516731 VLSGFXDMSAVBFA-QPEQYQDCSA-N 467.039 6.579 50 10 JKGE COc1cc(Br)ccc1[C@H](Br)c1sc(C)cc1Br 135308900 VSUVVSTVYLSGEX-LBPRGKRZSA-N 455.009 6.074 50 10 JKGE Clc1cc([C@H](Cl)c2cc(Br)ccc2Br)sc1Br 161114970 LNCJJFGKXXXEEL-SNVBAGLBSA-N 479.846 7.017 50 10 JKGE Clc1cc(Br)ccc1COc1ccc(CBr)cc1Br 168183426 KHECINROCHIBPV-UHFFFAOYSA-N 469.398 6.339 50 10 JKGE CCCCCOc1ccc(/C=C(/C(=O)Nc2nc(CCl)cs2)c2ccccc2)cc1OC 170535224 KHNBUAPNCXIAJT-KGENOOAVSA-N 471.022 6.639 50 10 JKGE Cc1cc(Br)c([C@H](Br)[C@@H]2[C@H](C)O[C@H](C)[C@H]2C)cc1Br 227271690 RZSKNRZQWWPXPM-TZDNBKRZSA-N 455.028 6.016 50 10 JKGE Brc1ccc(I)c([C@H](Br)c2ccc3c(c2)CCC3)c1 232451919 XNGKYMLRMYUKPZ-MRXNPFEDSA-N 491.992 6.027 50 10 JKGE O=C1COc2ccc([C@H](Br)c3cc(Br)sc3Br)cc2N1 232484597 FELINMMGEFPCDD-LBPRGKRZSA-N 481.991 5.088 50 10 JKGE COc1cc(F)c(Br)cc1[C@H](Br)c1c(F)cccc1Br 234912344 DAXFFLDZIKQLSQ-AWEZNQCLSA-N 470.933 5.983 50 10 JKGE Fc1cc([C@@H](Br)c2cc3c(cc2Br)OCC3)ccc1Br 308416805 OVCQPVRBVGKODQ-OAHLLOKOSA-N 464.954 5.770 50 10 JKGE C[C@@H]1CCC[C@@H](COc2c(Br)cc(CBr)cc2Br)C1 311448684 IQBXOSZQPVBPTD-GHMZBOCLSA-N 455.028 6.312 50 10 JKGE C[C@H](Cl)c1nc2cccc(Cl)c2n1CCCN(Cc1ccccc1)Cc1ccccc1 390521500 GQICZPICCNSCFI-FQEVSTJZSA-N 452.429 7.082 50 10 JKGE C[C@H](Cl)c1nc2ccc(F)c(Br)c2n1[C@H]1C[C@@H](C)N(Cc2ccccc2)C1 689798539 LWPIBDKNKIVSEL-YCPHGPKFSA-N 450.783 6.073 50 10 JKGE CCCCCCCC(=O)NN=C1C(=O)N(Cc2ccc(F)cc2)c2ccc(Br)cc21 1083923302 FEYWZRONGPGEJL-UHFFFAOYSA-N 474.374 5.316 50 10 JKGE Cc1ccc(NC(=O)/C(C#N)=C\c2cc(Br)ccc2OCc2ccc(Cl)cc2)c(C)c1 1083930867 OKOVUPRWWPEAMD-NDENLUEZSA-N 495.804 6.844 50 10 JKGE CCOc1cc(C=NNC(=O)c2cccc(Cl)c2)ccc1OCc1ccc(Cl)c(Cl)c1 1084025343 PXTBFJNQULEDSD-UHFFFAOYSA-N 477.775 6.388 50 10 JKGE CC[C@@H](Oc1ccc2ccccc2c1Br)C(=O)NN=Cc1c[nH]c2ccccc12 1084206195 BINVEVOVYHEGIH-HXUWFJFHSA-N 450.336 5.391 50 10 JKGE Cc1ccc(-n2c(C)c(Br)c(C=NNC(=O)CCSc3ccccc3)c2C)cc1 1084232482 LPXQSAKLJHLWMZ-UHFFFAOYSA-N 470.436 5.798 50 10 JKGE CCOc1ccc([C@@H](O)CCC(=O)NN=Cc2ccc(OCc3cccc(C)c3)c(OCC)c2)cc1 1084436380 PMJPGHWDZLAPOG-SANMLTNESA-N 490.600 5.335 50 10 JKGE Cc1ccc(NC(=O)c2oc3c(c2C)C(=NNC(=O)C(c2ccccc2)c2ccccc2)CCC3)nc1 1772749258 SBJPBQHJBNIHGZ-UHFFFAOYSA-N 492.579 5.532 50 10 JKGE CCCCOc1ccc(C=NNC(=O)COc2ccc(C(C)(C)C)cc2Br)cc1 1772756489 ATXKKDCNEBYFCP-UHFFFAOYSA-N 461.400 5.455 50 10 JKGE CCOc1ccc([C@H]2C(C#N)=C(N)Oc3c2c(C)nn3-c2ccc(Cl)c(Cl)c2)cc1OCC 1865687133 KEJDXJAKMSILRM-QFIPXVFZSA-N 485.371 5.503 50 10 JKGE CCc1nn(Cc2ccc(F)cc2)c2c1[C@H](c1c(OC)ccc3ccccc13)C(C#N)=C(N)O2 1865688518 UGXQNVCLRBMMSL-DEOSSOPVSA-N 454.505 5.013 50 10 JKGE Cc1nn(Cc2cccc(Cl)c2)c2c1[C@H](c1ccc(OCc3ccccc3)cc1)C(C#N)=C(N)O2 1865690652 YDKPNCANHVMXOU-AREMUKBSSA-N 482.971 5.690 50 10 JKGE CCCCCOc1ccc([C@H]2C(C#N)=C(N)Oc3c2c(CC)nn3Cc2cccc(F)c2)cc1 1865694157 VAHAXPYFSKFSFQ-DEOSSOPVSA-N 460.553 5.420 50 10 JKGE CCOc1ccc([C@H]2C(C#N)=C(N)Oc3c2c(-c2ccccc2)nn3-c2ccccc2)cc1OC 1865694764 AYBBXCOWCPQWDE-DEOSSOPVSA-N 464.525 5.165 50 10 JKGE CCCOc1ccccc1[C@H]1C(C#N)=C(N)Oc2c1c(CC)nn2Cc1ccc(Cl)c(Cl)c1 1865703081 MRXSZHFFNVOOEI-QFIPXVFZSA-N 483.399 5.808 50 10 JKGE Cc1nc(-c2ccc(Cl)cc2Cl)ccc1C(=O)NNC(=O)[C@@H](C)Oc1ccc(C(C)C)cc1 1865759740 PUPGVBNBYYFODW-MRXNPFEDSA-N 486.399 5.716 50 10 JKGE CC[C@@H]1Cc2cc(OC)ccc2N(c2cc(Nc3ccc(SC#N)cc3)nc(C(C)C)n2)C1 1868231674 NYZYVYKMJVALFF-GOSISDBHSA-N 459.619 6.646 50 10 JKGE Cc1ccc2nc(/C(C#N)=C/c3ccc(N4N=C(c5ccccc5)C[C@@H]4c4ccccc4)cc3)[nH]c2c1 1872728388 ZUQDHSZPGMZHLU-ADYBTDFTSA-N 479.587 7.291 50 10 JKGE CC(C)OC(=O)c1ccc(/C(C#N)=C/c2cccc(OCc3c(Cl)cccc3Cl)c2)o1 1872728407 AGOJFEYHXSIMPV-GZTJUZNOSA-N 456.325 6.795 50 10 JKGE COc1ccc(-c2csc(/C(C#N)=C(O)/C=C/c3ccc(Cl)cc3Cl)n2)cc1OC 1872745622 WEHVXQQYUVWTCC-NHPATHQUSA-N 459.354 6.640 50 10 JKGE N#C/C(=C(/O)c1cc(Cl)ccc1Cl)c1nc(-c2ccc(Br)cc2)cs1 1872746687 SYJBVIJJHOLDAE-VKAVYKQESA-N 452.160 6.829 50 10 JKGE Cc1cc(-c2csc(/C(C#N)=C(\O)[C@@H](C)Oc3ccc(Cl)cc3Br)n2)ccc1F 1872750102 WPUGAJRMCJDOGE-FWORZXNSSA-N 493.785 6.934 50 10 JKGE COc1cc(C)c(-c2csc(/C(C#N)=C(\O)[C@@H](C)N3C(=O)c4ccccc4C3=O)n2)cc1C(C)C 1872753566 CWMVBXTXRIKEOZ-VRYNMQIDSA-N 487.581 5.728 50 10 JKGE Cc1cc(C)c(-c2csc(/C(C#N)=C(\O)CCCCCNC(=O)c3ccccc3)n2)c(C)c1 1872755822 HWXCNOXJKCYSFZ-GYHWCHFESA-N 459.615 6.518 50 10 JKGE COc1ccc(Cl)cc1-c1csc(/C(C#N)=C(\O)CCCCCNC(=O)c2ccccc2)n1 1872758655 KBQVBLQEZRTQRP-XDOYNYLZSA-N 482.005 6.255 50 10 JKGE CCN(Cc1ccccc1)c1ccc(/C=C(\C#N)c2nc(-c3c[nH]c4ccccc34)cs2)cc1 1872791902 VZAPSOBLUQLIIB-XQNSMLJCSA-N 460.606 7.382 50 10 JKGE CCN[C@H](c1c(Br)sc(Br)c1Cl)[C@@H]1C[C@H]1Br 1897156994 WQAIPVDPEDMDPF-LRMHIPNDSA-N 452.437 5.361 50 10 JKGE CC[C@@H](Cl)CN(Cc1ccccc1)C(=O)c1cc(Br)ccc1Br 1915113286 JAFRQNOIPZGIQM-OAHLLOKOSA-N 459.609 5.871 50 10 JKGE COc1ccc(Br)cc1C(=O)N(Cc1ccccc1)[C@@H](CBr)C1CC1 1915264530 LRRAWDRYXRRXIK-SFHVURJKSA-N 467.201 5.274 50 10 JKGE Cc1cc(Br)c(C(=O)N(C)C[C@H](Br)COCc2ccccc2)cc1Cl 1916334555 HVKZVFQZYWJJIQ-HNNXBMFYSA-N 489.635 5.463 50 10 JKGE Brc1cc(Br)c([C@@H](Br)c2ccc(C3CC3)cc2)s1 1922906012 FNAIMWRGXWRLNT-ZDUSSCGKSA-N 451.021 6.635 50 10 JKGE Cc1c(Br)sc([C@H](Cl)c2scc(Cl)c2Cl)c1Br 1922921521 RJUOBDQFGXRDEM-ZETCQYMHSA-N 455.451 7.278 50 10 JKGE Cc1c(Br)sc([C@H](Br)C2CC3(CCOC3)C2)c1Br 1922933044 ROHJHDVXCFRQOA-MDGUTJNFSA-N 459.041 5.834 50 10 JKGE Cc1c(Br)sc([C@H](Br)[C@H]2C[C@@H](OC(C)(C)C)C2)c1Br 1922936796 WUDSEDBPFSGOQT-WCABBAIRSA-N 475.084 6.611 50 10 JKGE Cc1cc([C@@H](Cl)c2sc(Br)cc2Br)ccc1Br 1922938448 DVKGZNISBUUPLP-LLVKDONJSA-N 459.428 6.672 50 10 JKGE COc1cccc(C[C@H](Br)c2sc(Br)cc2Br)c1 1922946191 OVGYNXDRNPIMCV-JTQLQIEISA-N 455.009 5.960 50 10 JKGE FC1(F)[C@@H]2CC[C@H]([C@H](Cl)c3c(Br)sc(Br)c3Cl)C[C@H]21 1923040613 VUMZDCBROIQFFS-FJDLHZNMSA-N 454.989 6.888 50 10 JKGE C[C@@H]1[C@@H]([C@@H](Cl)c2c(Br)sc(Br)c2Br)C1(F)F 1924569348 UFGVTVDJYJVSER-OJIOTJFOSA-N 459.375 6.217 50 10 JKGE FC(F)(F)CC[C@@H](Cl)c1c(Br)sc(Br)c1Br 1924579284 COGMJGAWMFIYRA-GSVOUGTGSA-N 465.354 6.658 50 10 JKGE Cl[C@H](c1c(Br)sc(Br)c1Br)[C@H]1CC[C@H]2C[C@H]1CO2 1924616222 MNWPGIUECVYAKZ-QFNGTQGLSA-N 479.459 6.131 50 10 JKGE ClCc1cnc(Oc2c(I)cc(Cl)cc2I)o1 1949898718 GHFLLTWMSQZTKM-UHFFFAOYSA-N 495.869 5.068 50 10 JKGE CC(C)C(F)(F)[C@@H](Br)c1c(Br)sc(Br)c1Cl 1986773537 QZENGZLEAMTRCF-LURJTMIESA-N 461.391 6.654 50 10 JKGE CC(C)(C)OC(=O)NCCSSCCNCc1ccc(Br)c(Cl)c1 2010825639 NWTRBAJCHIGDKL-UHFFFAOYSA-N 455.871 5.098 50 10 JKGE COc1ccc(F)cc1[C@@H](Br)c1csc(Br)c1Br 2032958725 KYHZZAKHKNJEEM-SNVBAGLBSA-N 458.972 5.905 50 10 JKGE CCOc1ccc(C2=CSC(=C(C#N)c3nnc4n3CCCCC4)N2c2ccccc2)cc1 2052963834 JYFNEQKBYQQQRL-UHFFFAOYSA-N 455.587 5.847 50 10 JKGE COC(=O)C1=CO[C@H](O[Si](C)(C)C(C)(C)C)[C@H]2C(CO[Si](C)(C)C(C)(C)C)=CC[C@H]12 2053693231 HAGFWYAXZUANKA-SLYNCCJLSA-N 454.756 6.006 50 10 JKGE Cc1c(F)cc(F)cc1Cn1nc(CBr)c(I)c1C(F)(F)F 2079240634 JPZGUVLTNWAOQQ-UHFFFAOYSA-N 495.027 5.036 50 10 JKGE Cc1c(Br)ccc([C@H](Cl)c2cccc(Br)c2)c1Br 2083316996 BJSZGXVQWOMHPW-CQSZACIVSA-N 453.399 6.611 50 10 JKGE CCn1ncc(Br)c1[C@@H](Cl)c1ccc(Br)cc1Br 2083332947 DIFWXYZBGKIEIA-NSHDSACASA-N 457.391 5.519 50 10 JKGE C[C@H]1CC[C@H](CC(CBr)(CBr)c2cccc(Br)c2)C1 2101720728 COSZFOVYPUTMAJ-STQMWFEESA-N 453.056 6.303 50 10 JKGE FC1(F)CCC[C@H](Oc2c(Br)cc(Br)cc2CBr)C1 2107517793 FPTKAZGMOGHHOU-JTQLQIEISA-N 462.954 6.063 50 10 JKGE BrCc1ccc(N2[C@H]3CCC[C@H]2CN(Cc2ccccc2)CC3)c(Br)c1 2110317261 WOCUYLCMVLEPOM-PMACEKPBSA-N 478.272 5.977 50 10 JKGE C[C@@]1([C@H](Br)c2c(Cl)sc(Br)c2Cl)CCCCC1(F)F 2111644752 BUHWQPWFDWNGTA-KCJUWKMLSA-N 457.005 7.469 50 10 JKGE Brc1ccc(CN2CC[C@H](Br)CC23CCC3)c(Br)c1 2113563607 GSFZIQCJHGSBIT-ZDUSSCGKSA-N 452.028 5.494 50 10 JKGE CCn1cc(Br)c([C@@H](Br)c2sc(COC)cc2Br)n1 2124768244 FRORXMJXJQQWCT-SNVBAGLBSA-N 473.028 5.120 50 10 JKGE CO[C@]1(C(F)(F)F)C[C@H]([C@@H](Br)c2sc(Br)cc2Br)C1 2125555258 FAIIIRYKDDRRJW-RHFNHBFPSA-N 486.973 6.067 50 10 JKGE COC[C@@H]1CC[C@H](Cc2ccc(Br)cc2Br)C[C@@H]1Br 2127210119 KISDBJIDQPZCOQ-OSMZGAPFSA-N 455.028 5.580 50 10 JKGE CN(C[C@]1(Br)CC1(F)F)c1c(CBr)ccc(Br)c1Cl 2137812811 AWFRMPGMOMDBKQ-LLVKDONJSA-N 482.388 5.606 50 10 JKGE CSc1ccccc1[C@@H](Br)c1ccc(Br)c(C)c1Br 2138854615 UDSBNQZJGDXQMN-OAHLLOKOSA-N 465.048 6.726 50 10 JKGE O=C1Cc2cc([C@H](Br)c3cccc(Br)c3Br)ccc2N1 2148748378 CCPRHKVFAUXQMC-AWEZNQCLSA-N 459.963 5.191 50 10 JKGE Cl[C@@H](c1cc(Br)c2c(c1)CCO2)c1cccc(Br)c1Br 2148749871 FBUTZWZIMIHUQV-AWEZNQCLSA-N 481.409 6.237 50 10 JKGE Cn1nc(C[C@@H](CBr)Cc2cccc(Br)c2)c(Br)c1Cl 2152981194 JJLNIGMHFXNUQD-JTQLQIEISA-N 485.445 5.395 50 10 JKGE CC1(C)C[C@H](n2c(CCl)nc3cc(I)c(F)cc32)[C@H]1OCc1ccccc1 2156374048 KCFIMTNJMMOKSX-AZUAARDMSA-N 498.767 6.075 50 10 JKGE O=C(c1cc(Br)cc(C(F)(F)F)c1)N(Cc1ccccc1)C1(CCl)CCC1 2172407899 JWYAHCDRLGSGST-UHFFFAOYSA-N 460.721 6.272 50 10 JKGE Cc1nn(C)c(Br)c1C[C@H](CBr)Cc1ccc(Br)cc1 2185799845 ZQMZNIMMGFZJHU-GFCCVEGCSA-N 465.027 5.050 50 10 JKGE O=S(=O)(c1cc(CBr)c(Cl)cc1Cl)N1CCC[C@H](OCc2ccccc2)C1 2186389046 JRYZPDTZFODVSF-INIZCTEOSA-N 493.250 5.258 50 10 JKGE CCOc1cc(Br)c([C@@H](Br)C2CC(Br)C2)cc1OCC 2196892046 YDVLYFCHVQHPQH-HEEBCNDISA-N 471.027 5.856 50 10 JKGE CCn1cc(Br)c([C@H](Br)c2cc(Br)c(OC)cc2F)n1 2202914379 TZIFSBPKKXKQKE-GFCCVEGCSA-N 470.962 5.060 50 10 JKGE Cc1c(Br)ccc([C@@H](Br)C23CCC(CC2)C3(C)C)c1Br 2203688144 ZHBNSEAPQGFJQG-GMQFJONSSA-N 465.067 7.172 50 10 JKGE Cc1cc(Br)c([C@@H](Cl)c2cc(I)sn2)c(C)c1Cl 2217619307 XKVMQSQRUJOVOB-LBPRGKRZSA-N 476.992 6.109 50 10 JKGE Cc1cc(Cl)c(Br)cc1[C@H](Br)c1cc(Br)c(C)s1 2218967520 DYUAQUIHTHAMHD-ZDUSSCGKSA-N 473.455 7.028 50 10 JKGE Cc1ccc([C@H](Br)c2cc(Br)c(Br)cc2F)c(F)c1 2225615806 LPYMFTYKBPMDBX-AWEZNQCLSA-N 454.934 6.283 50 10 JKGE Fc1cc(Br)c(Br)cc1[C@H](Br)[C@@H]1C[C@]12CCCOC2 2225620331 UBKHEXCMCZDOHL-HERUPUMHSA-N 456.975 5.603 50 10 JKGE CCc1ccc([C@H](Br)c2c(Br)cc(C)c(Br)c2C)s1 2227352498 PZZWEDZDEMCODP-HNNXBMFYSA-N 467.064 6.937 50 10 JKGE Cc1cc(Br)c([C@@H](Br)[C@H]2CCCOCC2)c(C)c1Br 2227361684 GDTFZRZHGRRUFQ-NHYWBVRUSA-N 455.028 6.081 50 10 JKGE Cc1cc(F)ccc1[C@H](Br)c1c(Br)cc(Cl)c(Cl)c1Cl 2232510953 INQRPWIFHDHHKL-LBPRGKRZSA-N 461.383 7.341 50 10 JKGE Clc1cc(Br)c([C@H](Br)C[C@H]2CCCOCC2)c(Cl)c1Cl 2232520635 PPXPVHZBLQMFNR-DTWKUNHWSA-N 465.440 7.052 50 10 JKGE Cc1cc(Br)c([C@@H](Br)C2(C(C)(F)F)CCC2)c(C)c1Br 2235610261 PYTMXZQAHALKRI-CYBMUJFWSA-N 475.009 7.090 50 10 JKGE Fc1cc(Br)cc([C@@H](Br)c2ccc3c(c2Br)CCO3)c1 2238081264 DMWOJPHQPRNLNJ-CQSZACIVSA-N 464.954 5.770 50 10 JKGE Cc1cc(Cl)c(Cl)cc1[C@H](Br)Cc1ccccc1I 2264361918 UWTWKFVQANSAGS-GFCCVEGCSA-N 469.975 6.585 50 10 JKGE Cc1cc(Br)c([C@H](Br)c2ccccc2OCc2ccccc2)c(C)c1F 2264488910 CPIKIWYONPWURZ-OAQYLSRUSA-N 478.199 7.268 50 10 JKGE COc1ccc([C@H](Br)c2csc(C)c2OC)cc1I 2271694383 MXSPPHDFYGLJFK-ZDUSSCGKSA-N 453.139 5.163 50 10 JKGE Cc1ccc(COc2c(Br)cc(CBr)cc2Br)c(F)c1 2281566049 TUHWSYOCJCTSFA-UHFFFAOYSA-N 466.970 6.133 50 10 JKGE COc1c([C@H](Br)c2sncc2Br)cc(Br)c2c1CCC2 2284591341 LHCJUUBVAJIEPL-LBPRGKRZSA-N 482.035 5.650 50 10 JKGE COc1cccc(NC(=O)C(C#N)=Cc2cc(C)n(-c3sc4c(c3C#N)CCCC4)c2C)c1 2294147035 ZUOHQBRXBVCZDW-UHFFFAOYSA-N 456.571 5.460 50 10 JKGE COc1cc(C=C(C#N)c2cccc(Cl)c2)c(Br)cc1OCc1ccc(Cl)cc1 2294619997 ZNZHTQGRNYGTAO-UHFFFAOYSA-N 489.196 7.408 50 10 JKGE COc1cc(Cl)c([C@H](Br)c2ccccc2I)c(OC)c1 2294906918 HEUYFFSMUXCCCE-OAHLLOKOSA-N 467.528 5.446 50 10 JKGE Brc1cc(Br)cc(C[C@@H](Br)[C@@H]2C[C@H]2c2ccccc2)c1 2295333496 KTVRODLUSBGAHY-GVDBMIGSSA-N 459.019 6.321 50 10 JKGE Cc1ccc(NC(=O)C(C#N)=Cc2cc(C)n(-c3ccc(N4CCCCC4)c([N+](=O)[O-])c3)c2C)cc1 2296390098 LIPMTXZLNBPHBD-UHFFFAOYSA-N 483.572 5.847 50 10 JKGE CC(C)(C)OC(=O)NC[C@@](C)(CI)OC[C@@H]1C[C@H]1C1CCCCCC1 2311651146 BETOVFKWLTVDRK-ABSDTBQOSA-N 465.416 5.328 50 10 JKGE C[C@]1(C(F)(F)F)C[C@@H]1[C@H](Br)c1cc(Br)ccc1OCc1ccccc1 2314460693 OAIZQRPLOFQSTR-NXHRZFHOSA-N 478.146 7.053 50 10 JKGE COc1ccc(NC(=O)C(C#N)=CNc2cc(C(F)(F)F)cc(C(F)(F)F)c2)cc1OC 2324066483 QOZBPFGCAUPHAC-UHFFFAOYSA-N 459.346 5.199 50 10 JKGE Cc1c(Cl)cccc1NC(=O)C(C#N)=CN1CCN(C(c2ccccc2)c2ccccc2)CC1 2324325123 OUFCLDLHENRPAU-UHFFFAOYSA-N 471.004 5.402 50 10 JKGE O=C1C(=Cc2cccc(Br)c2)Oc2cc(OCc3cccc(CCl)c3)ccc21 2325358329 CDHHJKVELZNVBC-UHFFFAOYSA-N 455.735 6.383 50 10 JKGE Fc1cc([C@H](Br)c2cc(Br)c(Br)s2)c(Cl)cc1Cl 2326685066 JBZXYBDQTOKJQD-JTQLQIEISA-N 497.836 7.203 50 10 JKGE COc1ccc(-c2csc(C(C#N)=C(O)[C@H]3CC(=O)N(Cc4ccccc4)C3)n2)c(C)c1C 2331362304 UUGBWHXIJMBOFG-IBGZPJMESA-N 459.571 5.277 50 10 JKGE CN(c1ccc(CBr)c(Br)c1)[C@H]1C[C@@H]2C[C@@H](OCc3ccccc3)C[C@H]12 2332003859 ZNFQKZNTLNHZAF-UFGBVDADSA-N 479.256 6.164 50 10 JKGE Fc1c(Br)cc(Cl)c([C@@H](Br)C[C@@H]2CCC2(F)F)c1Br 2337089508 ZZNQGJWMNQPJPQ-WDSKDSINSA-N 485.363 6.876 50 10 JKGE Cc1cc(Br)c(F)c(Br)c1[C@H](Br)[C@@H]1CCOC[C@@H]1C 2339673408 ALKHYYPJGNXMKZ-YGOYTEALSA-N 458.991 5.768 50 10 JKGE ClCc1cnc(OCc2ccc(Cl)cc2I)c(Br)c1 2340100887 PUARDDYWAVEHPG-UHFFFAOYSA-N 472.935 5.420 50 10 JKGE C[C@H]1[C@H](Br)C[C@H]2CC[C@H]1N2Cc1ccc(Cl)cc1I 2341039844 BLRYLFXPQYTXNQ-XRFFLINXSA-N 454.577 5.081 50 10 JKGE Clc1ccc([C@H](CI)OCc2cccc(I)c2)cc1 2341611696 LUWOCTAHTRPNIY-HNNXBMFYSA-N 498.529 5.638 50 10 JKGE Fc1ccccc1[C@@H](Cl)CCc1ccc(I)c(Br)c1 2349833035 FHYXCRVPQJBLDD-ZDUSSCGKSA-N 453.520 6.106 50 10 JKGE Fc1ccc(F)c([C@H](Br)c2c(Cl)cc(Br)c(F)c2Br)c1 2362233564 BPGAXFFCWJXPMK-NSHDSACASA-N 493.342 6.767 50 10 JKGE C[C@H](CCBr)CCN1CC[C@@H](CCNC(=O)OC(C)(C)C)C[C@H]1C(F)(F)F 2362789422 ONFYCFFKYPWFKS-OAGGEKHMSA-N 459.391 5.355 50 10 JKGE CCCc1sc(Br)cc1[C@H](Br)c1cc(C)cc(Br)c1F 2363270072 XWDQLZOWWFRVJX-AWEZNQCLSA-N 485.054 7.157 50 10 JKGE CC[C@H](C)[C@@H](c1ccccc1)[C@@H](Br)c1sc(Cl)cc1I 2363891658 JSHYADGVCLCCQT-NZVBXONLSA-N 483.640 7.272 50 10 JKGE Cc1cc(Br)c(F)c(Br)c1[C@H](Br)C[C@@H]1C[C@@H]1C(F)(F)F 2365192480 CLGHYHGERMRIQW-BIIVOSGPSA-N 482.935 6.684 50 10 JKGE COc1c(Br)cc(C)c([C@H](Br)[C@@H]2[C@@H]3CCCO[C@@H]32)c1Br 2365194396 QMUVXRCQDYKTTO-FNYBSCSFSA-N 469.011 5.390 50 10 JKGE CC(C)[C@H](Br)C(C)(C)CNC(=O)c1cc(Cl)ccc1I 2366009308 NHYTZCWDRBXESM-ZDUSSCGKSA-N 472.592 5.120 50 10 JKGE Clc1cc(Cl)cc(CC[C@H](Br)c2cc(Cl)ccc2Br)c1 2366887824 GRKGCLXWVCGHNV-AWEZNQCLSA-N 457.420 7.478 50 10 JKGE COCc1ccc(CO[C@H](CI)c2cccc(Br)c2)s1 2368075033 MEPAYXGCPPJRKJ-OAHLLOKOSA-N 467.166 5.350 50 10 JKGE F[C@]1(CNCc2ccc(I)c(Br)c2)CC[C@@H](CCl)CC1 2377314201 KWEGFGKFEPJMSL-FUKZOUPISA-N 474.583 5.281 50 10 JKGE C[C@@H]1CCC[C@@]12[C@@H](OCc1ccc(I)c(Br)c1)C[C@H]2Cl 2377592655 BSILJKHEJSNSLJ-HGGPSHQYSA-N 469.588 5.756 50 10 JKGE CC(C)(C)OC(=O)N1CCC[C@]12CC[S@](=O)(=NC[C@@](C)(CBr)C(C)(C)C)C2 2380173234 DHYLKKXTWLCWRH-SEXOINJZSA-N 465.498 5.075 50 10 JKGE O=C(COc1ccc(Cl)cc1Cl)NNC(=O)N1c2ccccc2Sc2ccccc21 13988831 DNFKQKINQRZYSS-UHFFFAOYSA-N 460.342 5.416 50 10 JKGE O=C(CSc1nc2ccccc2o1)N/N=C\c1ccc(OCc2ccc(Br)cc2)cc1 32519973 UMMYOSXOIBAHFP-MXAYSNPKSA-N 496.386 5.412 50 10 JKGE CCCOc1ccc(C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@H]3c2ccc(OCCC)cc2)cc1 38650662 BLQRLEVQGIXCKO-MHZLTWQESA-N 484.552 5.702 50 10 JKGE COc1ccc(CC(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@@H]3c2c(Cl)cccc2Cl)cc1 38680068 HAMXIKHMMKZLGG-HSZRJFAPSA-N 481.335 5.368 50 10 JKGE CCc1ccc2oc(C(=O)Oc3ccc4c(c3)OC(N)=C(C#N)[C@H]4c3cccs3)c(C)c2c1 38688420 BFFVSWRPJXWCMK-QHCPKHFHSA-N 456.523 5.803 50 10 JKGE CSc1ccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4oc5c(C)c(C)ccc5c4C)ccc32)cc1 38700740 OBRUUFHSAPEXDB-VWLOTQADSA-N 496.588 6.517 50 10 JKGE COc1cccc(NC(=O)/C(C#N)=C\c2c(Oc3ccc(Cl)cc3)nc3c(C)cccn3c2=O)c1 39858606 VITFFPPGGQARAY-LGMDPLHJSA-N 486.915 5.003 50 10 JKGE CCOc1ccc(/C=C(\C#N)C(=O)N(c2ccc(C)cc2)S(=O)(=O)c2ccc(C)cc2)cc1OC 40977730 QIIXIPWEHPVYDG-CJLVFECKSA-N 490.581 5.040 50 10 JKGE CCOC(=O)c1ccc(-n2c(-c3ccccc3)cc(/C=N/NC(=O)CC#N)c2-c2ccccc2)cc1 59140146 GXZSGBIVBNTMNK-AJBULDERSA-N 476.536 5.352 50 10 JKGE COc1ccc(COC(=O)N/N=C2/C(=O)N(Cc3cccc4ccccc34)c3ccccc32)cc1 59157565 YDQCBYDSWSMQTH-PBBVDAKRSA-N 465.509 5.026 50 10 JKGE CCOc1cc(/C=N/NC(=O)c2cc3ccccc3o2)cc(Cl)c1OCc1cccc(F)c1 59304151 BZJIUWCBELFOIO-CCVNUDIWSA-N 466.896 5.967 50 10 JKGE Cc1cccc(CS/C(Nc2cccc(Cl)c2C)=C(/C#N)S(=O)(=O)c2ccccc2)c1 96482157 DFDZSLMURQBRHU-VHXPQNKSSA-N 469.031 6.469 50 10 JKGE CCn1nc(C)c(Br)c1C[C@@H](CBr)Cc1ccccc1Br 97185878 KWCINYBZFJVZRP-LBPRGKRZSA-N 479.054 5.533 50 10 JKGE COc1ccc(CN(C(=O)CCl)[C@@H](C(=O)NC2CCCCCC2)c2ccc(Cl)cc2)cc1 97914898 WQLTUUXUQZULKO-XMMPIXPASA-N 477.432 5.496 50 10 JKGE CCc1ccc(N2C(=O)[C@H](Cc3ccc(F)cc3)S/C2=C(/C#N)C(=O)Nc2ccccc2)cc1 101244362 CVYJQAZJJHQZOG-FYAMCCBRSA-N 471.557 5.453 50 10 JKGE CC(C)CCC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC=C4C[C@H](OC(=O)CCCl)CC[C@]4(C)[C@H]3CC[C@@]21C 118920355 NZCIAHIYIOJGGF-UOQJMCGXSA-N 477.173 8.569 50 10 JKGE Br[C@H](c1ccc(Cc2ccccc2)cc1)c1csc(I)c1 124444679 MANQGVGDMZAOCO-GOSISDBHSA-N 469.185 6.428 50 10 JKGE COc1cc([C@H](Br)c2sccc2Br)c(OC)cc1Br 134297471 TWGVPXPYXOVATN-LBPRGKRZSA-N 471.008 5.775 50 10 JKGE CCC[C@H](O[Si](C)(C)C)C(c1ccc(C)cc1)(n1nnc2ccccc21)n1nnc2ccccc21 195802946 PJFWGSNSUJFLSX-SANMLTNESA-N 484.680 5.754 50 10 JKGE Cc1ccc2nc(-c3ccc(N/C=C(/C#N)C(=O)NCCc4ccc(O)cc4)cc3)sc2c1 217180803 QPKBXMBMMNLMJD-SILNSSARSA-N 454.555 5.156 50 10 JKGE Clc1sc([C@@H](Cl)c2cc(Br)c(Br)s2)cc1Br 227842399 FBKCWVJJZHWJTD-ZETCQYMHSA-N 485.875 7.079 50 10 JKGE O=C(NC[C@H](Br)c1ccccc1)c1cc(Br)cc(Br)c1 232472185 DVOQEFWJYRIPJU-AWEZNQCLSA-N 461.979 5.078 50 10 JKGE Clc1cc2c(c([C@@H](Br)c3cc(Br)cc(Br)c3)c1)OCC2 236083959 YZFVNTZOACKDAX-AWEZNQCLSA-N 481.409 6.284 50 10 JKGE O=C(CNc1ccc(Br)cc1Br)NN=Cc1ccc(Cl)cc1Cl 252626145 QXLOLCSXGMVCKO-UHFFFAOYSA-N 479.987 5.081 50 10 JKGE CCN(CC)c1ccc(/C=C(/NC(=O)c2ccccc2)C(=O)NN=C/C(C)=C\c2ccccc2)cc1 254823825 ZKNQDTQBLAKPJQ-RORBEIKBSA-N 480.612 5.509 50 10 JKGE CC(=NNC(=O)c1cc(-c2ccc(Cl)cc2)nc2c1c(C)nn2C)c1ccc(OC(F)F)cc1 254837268 VWAJEBWXEPGYIB-UHFFFAOYSA-N 483.906 5.353 50 10 JKGE Brc1ccc([C@H]2CCC[C@H](CI)O2)cc1Br 309465673 SQUVSWXNGHWTET-BXKDBHETSA-N 459.947 5.257 50 10 JKGE Oc1nc2cc([C@@H](Br)c3cccc(OCc4ccccc4)c3)c(Br)cc2[nH]1 380549335 OZBFERJNOFBTOO-FQEVSTJZSA-N 488.179 6.094 50 10 JKGE CN(c1cc(Br)ccc1CBr)[C@@H]1CCCN(Cc2ccccc2)C1 388402945 MUHGPZPGSGJLDG-LJQANCHMSA-N 452.234 5.445 50 10 JKGE C[C@H](COCc1ccccc1)Cn1c([C@H](C)Cl)nc2cc(I)c(F)cc21 390392625 LGIKBTVHHHEBMO-KBPBESRZSA-N 486.756 5.933 50 10 JKGE Fc1cc([C@H](Cl)c2cc(Br)ccc2I)c(F)c(F)c1F 395572929 NGUBFZFXOSXQEX-SNVBAGLBSA-N 479.436 5.938 50 10 JKGE 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 504163697 JKEJJFJGGOFWEL-IEQZQAERSA-N 491.200 9.245 50 10 JKGE CC(C)(C)SCC(=O)NN=C1C(=O)N(C(c2ccccc2)c2ccccc2)c2ccccc21 1084470102 QLIUCJKQFHHFBX-UHFFFAOYSA-N 457.599 5.175 50 10 JKGE O=C(Cc1ccc([N+](=O)[O-])cc1)NN=Cc1ccccc1Oc1ccc(C(F)(F)F)cc1[N+](=O)[O-] 1084569726 XCBXYLHMOJCXND-UHFFFAOYSA-N 488.378 5.007 50 10 JKGE O=[N+]([O-])c1cccc(N=NN(CC(CCl)(CCl)CCl)c2cccc([N+](=O)[O-])c2)c1 1084607544 TZIAGDZYYQEJCB-UHFFFAOYSA-N 460.705 5.711 50 10 JKGE COc1ccccc1C(=O)NN=C1CCCc2oc(C(=O)Nc3ccc(C(C)C)cc3)c(C)c21 1772746081 OXFRGMGYUSADBW-UHFFFAOYSA-N 459.546 5.443 50 10 JKGE Cc1ccc2c(CC(=O)NN=C3CCCc4oc(C(=O)Nc5ccc(F)cc5)c(C)c43)coc2c1C 1772751587 GLLAHOSCJWWOQE-UHFFFAOYSA-N 487.531 5.742 50 10 JKGE COc1cc(C=NNC(=O)COc2ccc(Cl)cc2Cl)ccc1OCCc1ccccc1 1772754056 ODWZRMQKFPULMG-UHFFFAOYSA-N 473.356 5.153 50 10 JKGE CCc1nn(Cc2c(F)cccc2Cl)c2c1[C@H](c1ccc(Cl)c(Cl)c1)C(C#N)=C(N)O2 1865686019 QGQMEQLDHAXTJQ-LJQANCHMSA-N 477.754 5.811 50 10 JKGE CCCCOc1ccc([C@H]2C(C#N)=C(N)Oc3c2c(C(F)(F)F)nn3Cc2ccc(F)cc2)cc1 1865689538 BQEBQMMEAVPRHT-FQEVSTJZSA-N 486.469 5.486 50 10 JKGE CCCOc1cccc([C@H]2C(C#N)=C(N)Oc3c2c(-c2ccccc2)nn3Cc2ccc(Cl)cc2)c1 1865693662 LLIWFKJJWGXHMF-VWLOTQADSA-N 496.998 6.259 50 10 JKGE CCCOc1ccc([C@H]2C(C#N)=C(N)Oc3c2c(C(F)(F)F)nn3Cc2ccccc2Cl)cc1 1865693860 MFXMIXZJECOULU-IBGZPJMESA-N 488.897 5.611 50 10 JKGE COc1ccc(-c2nn(-c3ccc(Cl)cc3)c3c2[C@H](c2ccc(F)cc2F)C(C#N)=C(N)O3)cc1 1865701700 CEBHFOCJYMSZHZ-JOCHJYFZSA-N 490.897 5.698 50 10 JKGE CCCn1nc(C(F)(F)F)c2c1OC(N)=C(C#N)[C@@H]2c1ccc(OCc2ccccc2C)cc1 1865702936 IQZSUIHXIRDRKX-FQEVSTJZSA-N 468.479 5.418 50 10 JKGE CCCOc1ccccc1[C@@H]1C(C#N)=C(N)Oc2c1c(C(F)(F)F)nn2Cc1ccccc1F 1865703121 NIKOVHMUXIPPAT-LJQANCHMSA-N 472.442 5.096 50 10 JKGE COc1cc([C@H]2C(C#N)=C(N)Oc3c2c(-c2ccccc2)nn3Cc2cc(C)ccc2C)ccc1O 1865706089 NGHBQIBOKVNPIE-VWLOTQADSA-N 478.552 5.148 50 10 JKGE CC[C@@H](NC(=O)C[C@H](c1ccc(C(C)C)cc1)C(C)C)C(=O)Nc1ccc(SC#N)cc1 1866745563 ITWIYTHYXVHYOC-BJKOFHAPSA-N 451.636 6.046 50 10 JKGE CCc1nc(Nc2ccc(SC#N)cc2)cc(N2C[C@@H](c3ccccc3)Cc3ccccc32)n1 1868277851 KJWCXOSBPLTMPR-QFIPXVFZSA-N 463.610 6.834 50 10 JKGE Cc1ccccc1-c1nc(Nc2ccc(SC#N)cc2)cc(N(C)CC(C)(C)c2ccccc2)n1 1868301747 WGPTXJYWFKRZAY-UHFFFAOYSA-N 479.653 7.183 50 10 JKGE CCCc1nc(Nc2ccc(SC#N)cc2)cc(N2CCC[C@H]2C(=O)NC2CCCCC2)n1 1868388272 HMUIIWQUWIJCJY-NRFANRHFSA-N 464.639 5.164 50 10 JKGE CCCc1nc(Nc2ccc(SC#N)cc2)cc(N2CCN3CCc4c(Cl)cccc4[C@@H]3C2)n1 1868389519 WYTLBDDIZRPVJV-QHCPKHFHSA-N 491.064 5.819 50 10 JKGE CC(C)OC(=O)c1ccc(/C(C#N)=C/c2cccc(OCc3ccc(Cl)c(Cl)c3)c2)o1 1872728474 DPEWGWKTYSQVSD-VCHYOVAHSA-N 456.325 6.795 50 10 JKGE CC(C)c1ccccc1O[C@@H](C)/C(O)=C(\C#N)c1nc(-c2cccc(Br)c2)cs1 1872745818 FAYYYNWNJACFEY-RHNCAKJLSA-N 469.404 6.956 50 10 JKGE Cc1cc(OCCC/C(O)=C(\C#N)c2nc(-c3ccc([N+](=O)[O-])cc3)cs2)cc(C)c1Cl 1872747160 QATNGPSVYWGYDX-VZCXRCSSSA-N 469.950 6.640 50 10 JKGE C[C@H](Oc1ccc(Cl)cc1Cl)/C(O)=C(\C#N)c1nc(-c2ccc(F)c(F)c2)cs1 1872751879 XZGUOJOJOPOJGC-XEVDPLJKSA-N 453.297 6.655 50 10 JKGE CCOc1ccc(-c2csc(/C(C#N)=C(O)/C(=C\c3ccccc3)c3ccccc3)n2)c(OCC)c1 1872755572 UHJPXTYXBORDQL-RSFMCHORSA-N 494.616 7.641 50 10 JKGE COc1cc(/C=C(\C#N)c2nc(-c3cc(Cl)ccc3Cl)cs2)cc(Br)c1O 1872794891 BVAPQDXFIFITEH-NYYWCZLTSA-N 482.186 6.658 50 10 JKGE Cc1sccc1[C@H](Br)c1cc(Br)ccc1OCc1ccccc1 1899863724 POTOJEWBFFSDSX-IBGZPJMESA-N 452.211 6.882 50 10 JKGE Cc1cc(I)c(OCC(C)(C)CI)cc1Cl 1904657068 TWBKYMOHRZLAPU-UHFFFAOYSA-N 464.512 5.093 50 10 JKGE CC(C)(CBr)N(Cc1ccccc1)S(=O)(=O)c1ccc(Cl)c(C(F)(F)F)c1 1915749636 NCSMGQLBOLEJQZ-UHFFFAOYSA-N 484.765 5.723 50 10 JKGE Fc1ccc(C(F)(F)F)cc1[C@H](Cl)c1sc(Br)cc1Br 1922879373 ACKGRMSOYWQHTP-JTQLQIEISA-N 452.492 6.759 50 10 JKGE Cc1c(Br)sc([C@H](Br)C[C@H](C)CC(C)(C)C)c1Br 1922954237 MCAOEAFLYOHMMD-WCBMZHEXSA-N 461.101 7.480 50 10 JKGE Clc1c(Br)sc(Br)c1[C@@H](Cl)[C@H]1CCOc2ccccc21 1923065919 JAUJGBJPUCBWOB-KWQFWETISA-N 457.014 6.773 50 10 JKGE Clc1ccc(Br)c([C@@H](Br)c2sc(Cl)cc2Br)c1 1948828708 MIHRNBHBGGYYAX-SNVBAGLBSA-N 479.846 7.064 50 10 JKGE Clc1cccc(Br)c1[C@@H](Cl)c1sc(Br)cc1Br 2003559497 BSKXOOMINXOOOS-SNVBAGLBSA-N 479.846 7.017 50 10 JKGE Cc1c([C@H](Cl)c2sc(Br)cc2Br)c(Br)nn1C 2014541680 KHLNSHVOEJSRBV-QMMMGPOBSA-N 463.420 5.406 50 10 JKGE Brc1cc2c(cc1[C@@H](Br)c1cscc1OCc1ccccc1)CCO2 2038688705 PBBXPJLNLAHDPT-HXUWFJFHSA-N 480.221 6.509 50 10 JKGE Brc1cc([C@H](Br)c2cc3c(s2)CCOC3)c(Br)s1 2041518356 FVVSWAQYQYMJDY-NSHDSACASA-N 473.049 5.892 50 10 JKGE CN(C(=O)c1scc(Br)c1Br)C1(CBr)CCCC1 2050798928 URLYWGVPVNHHBD-UHFFFAOYSA-N 460.029 5.053 50 10 JKGE Fc1cc([C@@H](Br)c2cc(Br)c(Cl)s2)c(F)cc1Br 2052449133 GQWWTLDGRICMLB-SNVBAGLBSA-N 481.381 6.689 50 10 JKGE Cc1c(Br)sc([C@H](Br)[C@@H]2C[C@@H]3CC[C@H](C2)O3)c1Br 2061007307 CWLDJYNNHYCAHQ-PKIKSRDPSA-N 459.041 5.975 50 10 JKGE CS(=O)(=O)c1csc([C@@H](Br)c2cc(Br)cc(Br)c2)c1 2093073831 FXSVTXYDJDPZEO-LBPRGKRZSA-N 489.048 5.161 50 10 JKGE CC1(C)CC[C@H](CBr)N(Cc2c(Br)cccc2Br)C1 2094091664 WNMHFGJRKVPIMO-LLVKDONJSA-N 454.044 5.597 50 10 JKGE ClC[C@@H](Cc1c(Br)cccc1Br)c1ccccc1Br 2094094310 AGBJFMPUUSRWIS-SNVBAGLBSA-N 467.426 6.539 50 10 JKGE ClCc1ccc(Br)c(Cl)c1N1CCN(Cc2ccccc2)C2(CCC2)C1 2098111453 UCPUFUURBMIBIZ-UHFFFAOYSA-N 454.239 6.086 50 10 JKGE C[C@@H]1C[C@@H](CCOc2c(Br)cc(CBr)cc2Br)CO1 2103050659 OKIBLRMSNHXGMP-NXEZZACHSA-N 457.000 5.300 50 10 JKGE CC[C@H](Br)CN(Cc1ccccc1)C(=O)c1cc(Br)cc(C(F)(F)F)c1 2115771035 GSTYHWLVSMGQPH-INIZCTEOSA-N 493.161 6.284 50 10 JKGE CO[C@H]1C[C@H]([C@H](Br)c2c(Cl)sc(Br)c2Cl)C[C@H]1OC 2118285003 GEWHPUJBZIQKME-LKHWLPBLSA-N 453.023 5.693 50 10 JKGE Cc1cc(Br)c(C)c([C@H](Br)[C@@H]2C[C@@H]2[C@@H]2C[C@H]2C)c1Br 2136366989 MURGNUQVXGZFAP-MQIFMZEHSA-N 451.040 6.557 50 10 JKGE Cc1cc(Cl)c([C@@H](Br)c2ccc(F)cc2I)cc1Cl 2136695834 RCRLXLHSMDQGCI-AWEZNQCLSA-N 473.938 6.530 50 10 JKGE Cc1cc(Cl)c([C@H](Br)c2cccc(Br)c2Br)cc1Cl 2136696657 QLVICEJEBMXKCU-CYBMUJFWSA-N 487.844 7.311 50 10 JKGE Cc1cc(Cl)c(Br)cc1[C@@H](Cl)c1cccc(Br)c1Br 2137640435 PKEVQNFACGRUTF-AWEZNQCLSA-N 487.844 7.264 50 10 JKGE COc1cc(F)c([C@@H](Br)c2ccccc2I)cc1Br 2138163749 YQZGEMGMKJZKOM-AWEZNQCLSA-N 499.943 5.686 50 10 JKGE ClCc1nc2cc(I)ccc2n1[C@@H]1CCN(Cc2ccccc2)C2(CC2)C1 2155054923 VXDNCROGIWDLQG-GOSISDBHSA-N 491.804 5.749 50 10 JKGE C[C@H](c1cccs1)N(Cc1ccccc1)S(=O)(=O)c1ccc(Cl)c(CBr)c1 2179791017 LPMFTXXCJXMZTR-OAHLLOKOSA-N 484.868 6.249 50 10 JKGE Cc1c(Br)ccc([C@H](Br)[C@]23CCCC[C@@H]2OCC3)c1Br 2203691972 LEFJDFGTAROKJN-BPUTZDHNSA-N 467.039 6.305 50 10 JKGE Fc1ccc(CO[C@@H](CBr)c2cccc(Br)c2)c(Br)c1 2206264725 HTLFQVOHOBJZIE-HNNXBMFYSA-N 466.970 6.004 50 10 JKGE Fc1ccc(Br)c(CO[C@H](CI)c2ccccc2Cl)c1 2206271865 ACHIPHBPBUIFIR-OAHLLOKOSA-N 469.519 5.935 50 10 JKGE Clc1cc(Br)c([C@@H](Br)C2(Br)CC2)c(Cl)c1Cl 2210130972 CLFZSBASDLQRNM-SECBINFHSA-N 472.229 6.773 50 10 JKGE Clc1cc(Br)c([C@H](Br)[C@H]2C[C@H]2Br)c(Cl)c1Cl 2210136093 WKOUUCOXEMPANK-JJXKXHSHSA-N 472.229 6.629 50 10 JKGE Cl[C@H](Cc1sc(Br)c(Br)c1Br)CN1CCCC1 2216421877 SXVVTTKJWNPPQH-SSDOTTSWSA-N 466.464 5.281 50 10 JKGE C[C@]1(C(F)F)C[C@H]1[C@H](Br)c1c(Br)cc(Cl)c(Cl)c1Cl 2224307333 MJWDTIMRRLJQBF-SHDSVNISSA-N 457.367 7.137 50 10 JKGE Cc1cccc(Br)c1[C@@H](Cl)c1cc(Br)c(Br)cc1F 2225635528 VQGMYDLCNYUNEP-AWEZNQCLSA-N 471.389 6.750 50 10 JKGE CCN[C@H](c1c(Br)cc(C)c(Br)c1C)[C@H]1C[C@H](Br)C1 2227346395 CVBKZMTZERMUNK-PGUXBMHVSA-N 454.044 5.653 50 10 JKGE CC12CCC([C@@H](Br)c3cc(Br)c(Br)cc3F)(CC1)CO2 2233974388 FPIYFBUWGHANPD-NFOMZHRRSA-N 471.002 6.136 50 10 JKGE Cc1ccc([C@@H](Br)c2sc(C)c(C)c2Br)c(Br)c1 2253503242 DHVUIMGJNMLFRF-CYBMUJFWSA-N 453.037 6.683 50 10 JKGE CC[C@H]1CN(CC2(CBr)CC(F)C2)[C@H](CC)CN1C(=O)OCc1ccccc1 2254441840 BINBUNCQXWLHAF-FGNUKQJGSA-N 455.412 5.011 50 10 JKGE CCc1cc([C@@H](Br)c2cc(Br)ccc2F)sc1Br 2255989414 SUTMOUQALJAEMP-LBPRGKRZSA-N 457.000 6.459 50 10 JKGE COc1cc(C)c(Cl)cc1[C@@H](Br)c1sccc1I 2263460618 LFVAPLBELGQFOU-GFCCVEGCSA-N 457.558 5.807 50 10 JKGE COc1cc(Cl)c(Cl)cc1[C@H](Cl)c1cc(Br)c(Br)s1 2264371979 RVQXUGIPQWAZLQ-NSHDSACASA-N 465.421 6.917 50 10 JKGE Cc1sc([C@@H](Br)Cc2ccc(Br)cc2F)c(Br)c1C 2264462873 IIYNFGIJYZIPLQ-NSHDSACASA-N 471.027 6.708 50 10 JKGE CCCc1ccc([C@H](Br)c2sc(Br)c(C)c2Br)cc1 2268141149 BKUMKCBZXCGZAH-ZDUSSCGKSA-N 467.064 7.018 50 10 JKGE Fc1cc(Br)c(F)c(Br)c1[C@H](Br)[C@]12CCOC[C@@H]1C2 2272848105 RQZJQUXOLMIHJV-MYWNEDRFSA-N 460.938 5.352 50 10 JKGE CC[C@H](C(F)(F)F)C(CBr)(CBr)c1ccc(Br)cc1 2278446378 MWIYVQQQMCOUPS-NSHDSACASA-N 466.961 6.065 50 10 JKGE COc1cc(Cl)c(Cl)cc1[C@H](Br)c1c(Br)sc(C)c1C 2279045746 BQQKSYSTPLUMFE-ZDUSSCGKSA-N 459.030 6.927 50 10 JKGE COc1c([C@H](Br)c2cc(Br)oc2C)cc(Br)c(C)c1C 2284527123 YVFLFZPCSINERI-CQSZACIVSA-N 466.995 6.223 50 10 JKGE Fc1cc(Br)c(Br)cc1[C@@H](Cl)c1ccc(C(F)(F)F)s1 2295054075 IGXBALNQYFKPTK-LLVKDONJSA-N 452.492 6.759 50 10 JKGE CCc1ccc(C[C@@H]2SC(=C(C#N)C(=O)Nc3ccc(C)cc3)N(c3ccccc3)C2=O)cc1 2296506878 JMBLBEHRINBHRG-VWLOTQADSA-N 467.594 5.622 50 10 JKGE N#CC(=Cc1cn(Cc2ccc(Cl)cc2Cl)c2ccccc12)C(=O)NC1CCCCC1 2297551140 NSURFDIEUGYEEX-UHFFFAOYSA-N 452.385 6.352 50 10 JKGE C[C@H]1Cc2cc(-c3nn(-c4ccccc4)cc3C=C(C#N)c3nc4ccccc4n3C)ccc2O1 2297578905 PNKQLVFIOIRKSA-IBGZPJMESA-N 457.537 5.814 50 10 JKGE COc1cc(C=C(C#N)C(=O)Nc2ccccc2F)ccc1OCc1ccc(Cl)cc1Cl 2313631193 LWXZPSACQMIQKF-UHFFFAOYSA-N 471.315 6.266 50 10 JKGE CCOc1cc(C=C(C#N)C(=O)Nc2ccccc2CC)ccc1OCc1cccc(Cl)c1 2313667078 FLWNMJWHSGLAGA-UHFFFAOYSA-N 460.961 6.426 50 10 JKGE Brc1ccc(OCc2ccccc2)c([C@H](Br)[C@]23CCCC[C@H]2CC3)c1 2314455807 RROHPUZAQKEVDI-HSQYWUDLSA-N 464.241 7.435 50 10 JKGE Cc1cccn2c(=O)c(C=C(C#N)C(=O)Nc3cccc(Cl)c3Cl)c(Oc3ccccc3)nc12 2314533676 TULLUFZTUFOFFY-UHFFFAOYSA-N 491.334 5.648 50 10 JKGE COC(=O)c1c(NC(=O)C(C#N)=Cc2ccc(-c3ccccc3F)o2)sc2c1CCCC2 2314571587 IBKCVJAECRJKAZ-UHFFFAOYSA-N 450.491 5.358 50 10 JKGE COc1ccc(N2C(=O)[C@@H](Cc3ccc(C)cc3)SC2=C(C#N)C(=O)Nc2cccc(C)c2)cc1 2314592019 JWDNXQDGRZQJAS-RUZDIDTESA-N 483.593 5.377 50 10 JKGE CC1=C(C#N)C(=O)N(CCc2ccccc2)C(=O)C1=Cc1cn(-c2ccccc2)nc1-c1ccc(C)cc1 2314616537 CYWXJZNWGSCGIR-UHFFFAOYSA-N 498.586 5.683 50 10 JKGE CC1=C(C#N)C(=O)N(Cc2ccc3c(c2)OCO3)C(=O)C1=Cc1ccc(-c2cccc(Cl)c2)o1 2314616743 IVEMHNOHIAQUDB-UHFFFAOYSA-N 472.884 5.121 50 10 JKGE CC1=C(C#N)C(=O)N(Cc2ccco2)C(=O)C1=Cc1cn(-c2ccccc2)nc1-c1cc(C)ccc1C 2314618302 KZVHCXYDTJOEOB-UHFFFAOYSA-N 488.547 5.542 50 10 JKGE COc1cc(C=NNC(=O)c2ccc(-c3ccc(Cl)cc3)nc2C)ccc1OCc1ccccc1 2321213134 PWCGAAGKPUKBJF-UHFFFAOYSA-N 485.971 6.062 50 10 JKGE CC(C)c1nc2c(Cl)cc(C(F)(F)F)cn2c1C=NNC(=O)CCCSc1ccccc1 2321230215 RTSIPBUPBHTLKN-UHFFFAOYSA-N 482.959 6.153 50 10 JKGE CCOc1c(Br)cc(C=NNC(=O)Nc2ccccc2C)cc1Br 2323831805 FRKCPWUFUJNEEP-UHFFFAOYSA-N 455.150 5.074 50 10 JKGE CN(Cc1ccc(I)c(Br)c1)C1(CCBr)CCC1 2325212786 QIQKJQJCMBUBBJ-UHFFFAOYSA-N 487.017 5.193 50 10 JKGE Cc1cc(I)ccc1NC(=O)C(C#N)=CN[C@@H](C)c1ccc2c(c1)CCCC2 2325406009 IJFDRAMHJXNHBG-INIZCTEOSA-N 485.369 5.175 50 10 JKGE COc1cccc(C=C(C#N)c2nc3ccc(C)cc3[nH]2)c1OCc1ccc(Cl)c(Cl)c1 2331018222 AOMIJXUQHRZSCT-UHFFFAOYSA-N 464.352 6.830 50 10 JKGE CCOc1ccc(-c2csc(C(C#N)=C(O)[C@H]3CC(=O)N(c4c(C)cccc4CC)C3)n2)cc1 2331305481 HTVCSHZRZQMHPY-FQEVSTJZSA-N 473.598 5.925 50 10 JKGE CC(C)(C)c1ccc(-c2csc(C(C#N)=C(O)c3ccccc3I)n2)cc1 2331333015 LXGDMUWMROBVBR-UHFFFAOYSA-N 486.378 6.662 50 10 JKGE CC(C)C[C@@H](C(O)=C(C#N)c1nc(-c2ccc(F)c(F)c2)cs1)N1C(=O)c2ccccc2C1=O 2331351537 CSVSNKCREWZXCK-NRFANRHFSA-N 479.508 5.592 50 10 JKGE Cc1cccc(C)c1OCCCC(O)=C(C#N)c1nc(-c2ccc(Oc3ccccc3)cc2)cs1 2331359042 UMJLWGOOARXEMQ-UHFFFAOYSA-N 482.605 7.871 50 10 JKGE COc1c(C)cc(Cl)cc1-c1csc(C(C#N)=C(O)COc2cc(C)c(Cl)c(C)c2)n1 2331392355 VEBWRPAIPMYIEL-UHFFFAOYSA-N 475.397 6.922 50 10 JKGE COc1ccc(-c2csc(C(C#N)=Cc3ccc(OCc4ccccc4C)cc3)n2)cc1OC 2331418206 PRHOOYMLFMNMAB-UHFFFAOYSA-N 468.578 6.779 50 10 JKGE COc1cc(C=C(C#N)c2nc(-c3cccs3)cs2)ccc1OCc1ccc(Cl)cc1 2331450903 QDYVXKXOJDAEKT-UHFFFAOYSA-N 464.999 7.177 50 10 JKGE Cc1cc(I)c(Oc2ccc(CCl)cc2Br)cc1Cl 2336550130 BXMIEGRIGQDYJI-UHFFFAOYSA-N 471.947 6.547 50 10 JKGE Fc1c(Br)cc(Cl)c([C@H](Br)C[C@@H]2CCC2(F)F)c1Br 2337089505 ZZNQGJWMNQPJPQ-NTSWFWBYSA-N 485.363 6.876 50 10 JKGE CC1(C)CCC[C@H]1[C@H](Br)c1c(Cl)cc(Br)c(F)c1Br 2337091831 HPXUBHZCMOFLKO-CPCISQLKSA-N 477.437 7.266 50 10 JKGE COc1c(Br)cc(C)c([C@H](Br)c2ccc(Cl)o2)c1Br 2339651046 LPBCHZJFUZMGGW-LLVKDONJSA-N 473.386 6.259 50 10 JKGE Cc1cc(Br)c(F)c(Br)c1[C@@H](Br)[C@H](C)CC(C)(C)C 2339651429 PKZIXOYTYHWYAG-SKDRFNHKSA-N 459.035 7.167 50 10 JKGE CCc1occc1[C@H](Br)c1c(C)cc(Br)c(F)c1Br 2339674225 IWSZRPKQFVFMAX-LBPRGKRZSA-N 454.959 6.299 50 10 JKGE COc1c(Br)cc(C)c([C@@H](Br)[C@H](C)C(F)(F)F)c1Br 2339675074 PMRLJRAAIADBLT-RCOVLWMOSA-N 468.933 6.163 50 10 JKGE BrC[C@@H]1C[C@@H]2CCC[C@H]2N1Cc1ccc(I)c(Br)c1 2349839428 HMLWYWGXTNZGNM-SLEUVZQESA-N 499.028 5.192 50 10 JKGE BrCC(CBr)(C[C@H]1C[C@@H]2CC[C@H]1O2)c1cccc(Br)c1 2354998009 FBGRLMVBMGPTAG-BYCMXARLSA-N 467.039 5.434 50 10 JKGE CCC(F)(F)C(C)(C)[C@H](Br)c1c(F)cc(Cl)c(Br)c1Cl 2360495585 BHSQGWMLEAUNIG-LLVKDONJSA-N 456.955 7.403 50 10 JKGE CS(=O)(=O)c1cccc([C@H](Cl)c2ccc(OCc3ccccc3)cc2Br)c1 2361215672 VQYLCKCISCBSPO-NRFANRHFSA-N 465.796 5.760 50 10 JKGE C[C@@H]1C[C@@H]2C[C@@H]2C[C@H]1[C@H](Br)c1c(Cl)cc(Br)c(F)c1Br 2362248411 REPBHGSPNLWORV-OJMIUMIFSA-N 489.448 7.122 50 10 JKGE COc1c(C)cc(Br)cc1[C@@H](Br)c1c(Br)nc(C)n1C 2362488378 VUBILYVUBDAAJS-LLVKDONJSA-N 466.999 5.055 50 10 JKGE C[C@H](CCBr)CCN1CC[C@H](CCNC(=O)OC(C)(C)C)C[C@@H]1C(F)(F)F 2362814047 ONFYCFFKYPWFKS-OWCLPIDISA-N 459.391 5.355 50 10 JKGE Cc1cc(Br)c(F)c(Br)c1[C@H](Br)[C@@H]1C[C@@H]2C[C@H]2C[C@H]1C 2365188239 JJHUZPSXZHIFPF-HRFSLWDJSA-N 469.030 6.777 50 10 JKGE COc1c(Br)cc(C)c([C@H](Br)[C@H]2COC(C)(C)C2)c1Br 2365191015 KLIFJKLEUHHYAG-BXKDBHETSA-N 471.027 5.780 50 10 JKGE CN(C(=O)c1ccc(Cl)cc1I)[C@@H]1CCCCC[C@H]1Br 2365581446 GBAAZLQFTUNRDP-TZMCWYRMSA-N 470.576 5.113 50 10 JKGE Fc1ccc([C@@H](CBr)OCc2c(Br)cccc2Br)cc1 2366182613 JMQNCCQIJJWQSP-OAHLLOKOSA-N 466.970 6.004 50 10 JKGE Cc1cc(Br)c([C@H](Br)C[C@@H]2CC[C@H]2C2CC2)c(C)c1Br 2367953126 KTLVITHTXJESGU-KCQAQPDRSA-N 465.067 7.091 50 10 JKGE Brc1ccc([C@H](CI)OCC2CCCCCCC2)cc1 2368654992 MHROMGRLGUKZOR-KRWDZBQOSA-N 451.186 6.302 50 10 JKGE Cc1cc(Br)c(C(C)C)cc1[C@H](Br)c1scc(C)c1Br 2380946830 KQIFMRQKYAXUGM-HNNXBMFYSA-N 481.091 7.498 50 10 JKGE CC[C@@H]1CCCCN1C(=O)CS/C(Nc1ccccc1F)=C(/C#N)c1nc2ccccc2s1 5949821 BHBXRKZONOAYDG-KJCFGCQTSA-N 480.634 6.264 50 10 JKGE CCSc1sccc1[C@@H]1C(C#N)=C(N)N(c2cccnc2)C2=C1C(=O)C[C@@H](c1ccccc1)C2 9981715 MEAWDBAQWQSFGE-MHECFPHRSA-N 484.650 5.954 50 10 JKGE N#C/C(=C/c1cc(Cl)ccc1OCc1cccc(C(F)(F)F)c1)S(=O)(=O)c1ccccc1 33389095 BRVJHWFVXYAPBT-BKUYFWCQSA-N 477.891 6.276 50 10 JKGE C=CCOc1ccc(Cl)cc1/C=C(/C#N)C(=O)Nc1ncc(Cc2ccccc2Cl)s1 33915675 IGEJSODGIAEFRO-YVLHZVERSA-N 470.381 6.151 50 10 JKGE N#C/C(=C\c1ccc2noc(-c3ccccc3)c2c1)c1nc(O)c2cc(Br)ccc2n1 35518722 YYFZCSGCGXWWHS-MHWRWJLKSA-N 469.298 5.970 50 10 JKGE N#CC1=C(N)Oc2cc(OC(=O)c3ccc(Br)cc3)ccc2[C@@H]1c1ccccc1Cl 38650972 CPMUJZRXGJOZDC-NRFANRHFSA-N 481.733 5.540 50 10 JKGE N#CC1=C(N)Oc2cc(OC(=O)c3sc4ccccc4c3Cl)ccc2[C@H]1c1cccc(Cl)c1 38687669 UYPNACJLFDNMNO-OAQYLSRUSA-N 493.371 6.645 50 10 JKGE Cc1ccccc1Oc1nc2c(C)cccn2c(=O)c1/C=C(/C#N)C(=O)Nc1ccccc1Cl 39858907 XQSPVEAMBDBAPD-JXAWBTAJSA-N 470.916 5.303 50 10 JKGE Cc1c(C(=O)N2CCCCCC2)oc2c1/C(=N/NC(=O)COc1ccc(Cl)cc1Cl)CCC2 40816328 ASHWHLQYZQLIAI-OVVQPSECSA-N 492.403 5.147 50 10 JKGE Cc1c(C(=O)NNC(=O)c2ccc(Cl)cc2Cl)oc2c1/C(=N/Nc1ccc(F)cc1)CCC2 40823905 VPOLTBSUUZOCGD-MTDXEUNCSA-N 489.334 5.261 50 10 JKGE COc1cc(/C=N/NC(=O)COc2ccc(Cl)cc2Cl)ccc1OCc1ccc(C)cc1 40911144 WPAQMKYRIMZNEN-UVHMKAGCSA-N 473.356 5.419 50 10 JKGE COc1cc(/C=N/NC(=O)C(c2ccccc2)c2ccccc2)ccc1OCc1ccccc1Cl 59410795 XUKWYNRIZHCUQT-ZCTHSVRISA-N 484.983 6.210 50 10 JKGE Cc1cc(C)cc(OCC(=O)N/N=C/c2cc(/N=N/c3cccc4ccccc34)ccc2O)c1 59475766 DCXGBSZQEIJWIU-HOEVZMQCSA-N 452.514 6.107 50 10 JKGE Cc1ccccc1[C@H](C(=O)NC1CCCCC1)N(CCc1ccccc1Cl)C(=O)CCl 97914460 IERIASDERQIKCE-XMMPIXPASA-N 461.433 5.449 50 10 JKGE O=C(NC1CCCCCC1)[C@@H](c1ccccc1F)N(CCc1ccc(Cl)cc1)C(=O)CCl 97914848 OIYIWBKWEMKVKL-XMMPIXPASA-N 479.423 5.669 50 10 JKGE CC(C)c1ccc(N2C(=O)[C@H](Cc3ccc(F)cc3)S/C2=C(/C#N)C(=O)NCc2ccccc2)cc1 101240959 YHSVGJKXIGVBSW-HFVAWESISA-N 499.611 5.692 50 10 JKGE COc1ccc(-c2csc(/C(C#N)=C\Nc3ccccc3OC(F)(F)[C@@H](F)Cl)n2)cc1 102416058 ZRHUUWYVJSZNHF-ACQXMXPUSA-N 465.884 6.301 50 10 JKGE N#C/C(=C/Nc1ccc2c(C(F)(F)F)cc(=O)oc2c1)c1nc(-c2ccc3c(c2)OCO3)cs1 102417616 QWACWAGCPNGDKH-LCYFTJDESA-N 483.427 5.641 50 10 JKGE N#C/C(=C/c1cn(Cc2ccccc2Cl)c2ccccc12)C(=O)Nc1nc2ccccc2s1 102443713 XKMWBCKJDRIGCI-AQTBWJFISA-N 468.969 6.498 50 10 JKGE COc1cccc(C[C@H]2S/C(=C(\C#N)C(=O)Nc3ccc(C)cc3)N(c3ccccc3C)C2=O)c1 102473730 GGBHRDMAZDDSCR-ZDDKYUFNSA-N 483.593 5.377 50 10 JKGE Cc1cc(Br)ccc1N/C=C(/C#N)c1nc(-c2cc3ccccc3oc2=O)cs1 102937514 JMLWGPMAZOQXIR-PTNGSMBKSA-N 464.344 5.964 50 10 JKGE Cc1ccc(NC(=O)/C(C#N)=C2/S[C@H](Cc3cccc(Cl)c3)C(=O)N2c2ccccc2C)cc1 102973551 GVCLQOFOPVPMIB-VECHRTTRSA-N 488.012 6.022 50 10 JKGE COc1ccc(OCCCC(=O)Oc2ccc(/C=C(/C#N)c3ccc(Cl)cc3)cc2OC)cc1 103647585 OVFHZYOADPAGME-PGMHBOJBSA-N 477.944 6.186 50 10 JKGE CCOc1ccc(Br)cc1[C@H](Br)c1ccc(I)cc1 109871537 MBYRMWICQILFIB-OAHLLOKOSA-N 495.980 5.937 50 10 JKGE O=c1[nH]c2cc(Br)c([C@@H](Cl)c3ccc(Br)cc3Cl)cc2[nH]1 109883727 HTXKWGGYDYDYDJ-ZDUSSCGKSA-N 450.945 5.363 50 10 JKGE CCc1cc(CC(CBr)(CBr)c2cccc(Br)c2)n(C)n1 118878807 FJUQHUWYCMXISI-UHFFFAOYSA-N 479.054 5.015 50 10 JKGE CCOC(=O)c1c(NC(=O)/C(C#N)=C\c2ccc(-c3cccc(F)c3)o2)sc2c1CC[C@@H](CC)C2 209398941 CHLRXQBLBLYUTR-VVZNPABPSA-N 492.572 6.384 50 10 JKGE CC[C@H](NC(=O)/C(C#N)=C\NCc1cccc(Br)c1)c1ccc2c(c1)CCCC2 217193173 OIQRMJHYAPTJMG-ODFZLOHPSA-N 452.396 5.092 50 10 JKGE C[C@]12CC3CC([C@@H](Br)c4cc(Br)c(Br)s4)(C1)C[C@](C)(C3)C2 226745618 CYXWRUPUNDPAII-MFSVOEKMSA-N 497.134 7.706 50 10 JKGE CCCOc1ccc([C@H](Cl)c2ccccc2I)cc1Br 229002124 SPVXHZNAVURHJW-INIZCTEOSA-N 465.556 6.171 50 10 JKGE CCCOc1ccc([C@@H](Cl)c2ccc(Br)cc2Cl)cc1Br 229004008 KHWZTEGNNZGHTM-MRXNPFEDSA-N 453.001 6.982 50 10 JKGE CC(C)Cc1ccc([C@@H](Br)c2ccc(I)c(Cl)c2)cc1 232342511 HCHXLVQCDBCPKN-QGZVFWFLSA-N 463.584 6.627 50 10 JKGE Fc1cc([C@H](Cl)c2cc(Cl)ccc2I)c(F)cc1Br 236240106 VHTBOJUUCFUIPM-ZDUSSCGKSA-N 477.901 6.314 50 10 JKGE CC(=NNC(=O)c1cc(-c2cccc(Cl)c2)nc2ccccc12)c1ccc(NS(C)(=O)=O)cc1 254479106 KCUUWLHVHMDKAV-UHFFFAOYSA-N 492.988 5.081 50 10 JKGE CCOc1ccc(S(=O)(=O)Nc2ccc(C(=O)NN=C(C)c3cccc4ccccc34)cc2)cc1 254509270 BPPKCWPHNQBVKS-UHFFFAOYSA-N 487.581 5.193 50 10 JKGE CCOc1cc(C=NNC(=O)c2ccccc2C)ccc1OC(=O)c1ccc(C(C)(C)C)cc1 254819769 VZWDBGDTUUKTBI-UHFFFAOYSA-N 458.558 5.674 50 10 JKGE Cc1nn(-c2ccccc2)c(C)c1C=NNC(=O)c1cc(-c2cccc(OCc3ccccc3)c2)[nH]n1 254841220 SDVMWWGWCXDZCI-UHFFFAOYSA-N 490.567 5.222 50 10 JKGE Fc1cc2nc(CCCl)n([C@H]3CCCN(Cc4ccccc4)C3)c2cc1Br 379629682 TZPRIYGGFONTEQ-INIZCTEOSA-N 450.783 5.556 50 10 JKGE CSc1ccc([C@H]2CN(C(=O)OCc3ccccc3)C[C@H]2CI)cc1 382690243 MOXXLIZFHGNUEN-IEBWSBKVSA-N 467.372 5.196 50 10 JKGE C[C@H](COCc1ccccc1)Cn1c([C@H](C)Cl)nc2cc(I)ccc21 390410125 FTAXGDOULCFNFE-GJZGRUSLSA-N 468.766 5.794 50 10 JKGE CC1(C)C[C@@H](Br)CCN(C(=O)c2cc(Br)sc2Br)C1 395349885 DFGPKARJZKLPCO-QMMMGPOBSA-N 474.056 5.299 50 10 JKGE CN(C(=O)OC(C)(C)C)c1ccc([C@@H]2CCN(CCO[Si](C)(C)C(C)(C)C)c3ccccc32)cc1 616588323 VATSDIGILYABKE-DEOSSOPVSA-N 496.768 7.422 50 10 JKGE CC(C)(C)OC(=O)N1CCc2ccccc2[C@H]1c1cccc(CO[Si](C)(C)C(C)(C)C)c1 616680853 RLFSGQHEZBCOJA-XMMPIXPASA-N 453.699 7.091 50 10 JKGE Cc1cc(I)cc(-n2c(CCl)nc3cc(Br)ccc32)c1 690601383 WJWDWVQZBVPQFG-UHFFFAOYSA-N 461.528 5.440 50 10 JKGE CC(C)[C@@H]1CN(c2cccc(Br)c2CBr)CCN1Cc1ccccc1 704740249 OZHNTLXHOLLVPN-NRFANRHFSA-N 466.261 5.691 50 10 JKGE Fc1cc(Br)cc(CCl)c1OCc1cc(Cl)ccc1I 715745222 PCHXHWVGFXNCAW-UHFFFAOYSA-N 489.937 6.164 50 10 JKGE Cc1ccc(CSCC(=O)NN=Cc2c(Br)c(C)n(-c3ccc(C)cc3)c2C)cc1 725430793 FWCJKANLANQMPV-UHFFFAOYSA-N 484.463 5.857 50 10 JKGE CCCCCCCCCCOc1ccc(C(=O)NN=Cc2ccc(N3CCCCC3)o2)cc1 1084053225 HQPWGSKLRYPILK-UHFFFAOYSA-N 453.627 6.553 50 10 JKGE C=CCOc1c(Cl)cc(C=NNC(=O)CC[C@H](O)c2ccc(OCC)cc2)cc1Br 1084300197 BUAUJFHQNLGQLY-FQEVSTJZSA-N 495.801 5.030 50 10 JKGE Cc1c(C(=O)Nc2cccc3ncccc23)oc2c1C(=NNC(=O)c1ccc(Cl)cc1)CCC2 1772743794 KZKRIXPGWCKJLX-UHFFFAOYSA-N 472.932 5.512 50 10 JKGE Cc1c(C(=O)NN(c2ccccc2)c2ccccc2)oc2c1C(=NNC(=O)c1ccc(O)cc1)CCC2 1772744182 ATZDNVRTPWBFEN-UHFFFAOYSA-N 494.551 5.247 50 10 JKGE Cc1c(C(=O)Nc2ccc(Cl)cn2)oc2c1C(=NNC(=O)c1cccc(Cl)c1)CCC2 1772746138 QHRCZCIMBJHBQS-UHFFFAOYSA-N 457.317 5.013 50 10 JKGE Cc1cccc(NC(=O)c2oc3c(c2C)C(=NNC(=O)c2cncc(Br)c2)CCC3)c1C 1772747814 RNSZKKWLQCZXCP-UHFFFAOYSA-N 495.377 5.085 50 10 JKGE Cc1ccc(C)c(NC(=O)c2oc3c(c2C)C(=NNC(=O)c2ccc(Cl)c([N+](=O)[O-])c2)CCC3)c1 1772748234 PEEOFFCBFFEABE-UHFFFAOYSA-N 494.935 5.489 50 10 JKGE O=C(/C=C/c1ccccc1)NN=C1C(=O)N(Cc2ccc(Cl)cc2)c2ccc(Br)cc21 1772752253 FERCSECRFPZHCJ-WWYNUOHVSA-N 494.776 5.183 50 10 JKGE CCCCCOc1ccc([C@@H]2C(C#N)=C(N)Oc3c2c(-c2ccccc2)nn3CCC)cc1OCC 1865690856 CQZHWDPNZLWUFF-RUZDIDTESA-N 486.616 6.146 50 10 JKGE CCCOc1ccc([C@@H]2C(C#N)=C(N)Oc3c2c(CCC)nn3Cc2c(F)cccc2Cl)cc1 1865694682 ZEKARBQKYYXBDH-HSZRJFAPSA-N 480.971 5.683 50 10 JKGE CCc1nn(-c2ccccc2Cl)c2c1[C@H](c1ccc(OC(=O)c3ccccc3)cc1)C(C#N)=C(N)O2 1865705107 MISWLQOTTRTLHG-XMMPIXPASA-N 496.954 5.525 50 10 JKGE CCCc1nn(-c2ccc(Cl)cc2)c2c1[C@H](c1ccc(Br)cc1)C(C#N)=C(N)O2 1865714739 PBDGLSUUBOPIIX-LJQANCHMSA-N 469.770 5.459 50 10 JKGE Cc1ccc([C@H](CC(=O)N[C@@H](C(=O)Nc2ccc(SC#N)cc2)c2ccccc2)C(C)C)cc1 1866735220 GDGSTIJEKNTLSH-XNMGPUDCSA-N 471.626 6.194 50 10 JKGE CC(C)c1ccc([C@@H](CC(=O)N[C@H](C(=O)Nc2ccc(SC#N)cc2)c2ccccc2)C(C)C)cc1 1866745258 IOVGWHOTRCMMMH-YTMVLYRLSA-N 499.680 7.009 50 10 JKGE Cc1cc(OCc2cccc(CCl)c2)cc2c1C(=O)/C(=C/c1cccc(Br)c1)O2 1871437450 YLKAAVWXEZVMNY-JJFYIABZSA-N 469.762 6.692 50 10 JKGE CC[C@@H](C)[C@H](/C(O)=C(\C#N)c1nc(-c2ccc(Cl)cc2)cs1)N1C(=O)c2ccccc2C1=O 1872748452 XYUSBCAUZLEKQR-UCNANMCJSA-N 477.973 5.967 50 10 JKGE Cc1ccc(-c2csc(/C(C#N)=C(\O)CCCOc3ccc(Cl)cc3Br)n2)cc1 1872749531 VQKMAOXBJFAECF-JZJYNLBNSA-N 489.822 7.186 50 10 JKGE N#C/C(=C(/O)c1ccc2c(c1)C(=O)N(Cc1ccccn1)C2=O)c1nc(-c2cccs2)cs1 1872750707 OWWMWCNBUIVGEU-UZYVYHOESA-N 470.535 5.013 50 10 JKGE CCc1cccc(CC)c1N1C[C@@H](/C(O)=C(\C#N)c2nc(-c3ccc4c(c3)OCO4)cs2)CC1=O 1872752587 KIDHTYUXROAOBK-MHAPCUCXSA-N 487.581 5.509 50 10 JKGE COc1cc(C)c(-c2csc(/C(C#N)=C(\O)c3cc([N+](=O)[O-])cc([N+](=O)[O-])c3C)n2)cc1C(C)C 1872753930 VEPBFXUHWIGTLR-NMWGTECJSA-N 494.529 6.325 50 10 JKGE CCOc1cc(/C=C(\C#N)c2nc(-c3ccc(OC)c(C)c3)cs2)ccc1OCc1ccc(C)cc1 1872781051 SLJFSIRWBWNYII-MFKUBSTISA-N 496.632 7.477 50 10 JKGE Clc1cc(I)c([C@H](Cl)c2ccccc2OCc2ccccc2)s1 1900919984 RKXZPVPZNTWSFP-QGZVFWFLSA-N 475.178 6.913 50 10 JKGE CC[C@H](Br)CN(Cc1ccccc1)C(=O)c1cc(OC)ccc1Br 1915089726 CDPYIIPNGPJICL-HNNXBMFYSA-N 455.190 5.274 50 10 JKGE O=C(Cc1ccccc1I)N(Cc1ccccc1)[C@@H](CBr)C1CC1 1915268791 ACQXSJXSFPUIQT-IBGZPJMESA-N 498.202 5.036 50 10 JKGE Fc1cc(Cl)cc([C@H](Br)c2sc(Br)cc2Br)c1F 1922898948 YXEWHQRABKNIME-VIFPVBQESA-N 481.381 6.689 50 10 JKGE CC[C@@H]1OCC[C@@H]1[C@H](Br)c1c(Br)sc(Br)c1Cl 1923071583 JWPPVCRJWIGGFY-HAFWLYHUSA-N 467.448 6.178 50 10 JKGE Cc1cc([C@H](Br)c2c(Br)sc(Br)c2Cl)c(C)o1 1923071791 KVYQOYABQREKBO-QMMMGPOBSA-N 463.416 6.621 50 10 JKGE C[C@H](c1ccncc1Br)[C@H](Br)c1ccc(Cl)cc1Br 1924039619 LPGMQXQNXWVELW-CLAHSXSESA-N 468.414 6.500 50 10 JKGE O=C(NC[C@H]1CCC2(CCC2)[C@H]1Br)c1scc(Br)c1Br 1924858330 XUBQXZZCESUJNX-PELKAZGASA-N 486.067 5.347 50 10 JKGE Clc1sc(Br)c(Cl)c1[C@H](Br)c1cccc2c1CCCC2 1925545489 GCLOGNFVTMLSTN-GFCCVEGCSA-N 455.042 7.181 50 10 JKGE O=C(c1cscc1OCc1ccccc1)N(Cc1ccccc1)C1(CBr)CCC1 1934836150 NXHAURCAIRXYMC-UHFFFAOYSA-N 470.432 6.287 50 10 JKGE Clc1cc(Br)c([C@@H](Br)c2cc(Br)c(Cl)s2)s1 1981401336 IHZMQZJXGCSKBX-ZETCQYMHSA-N 485.875 7.126 50 10 JKGE COc1sc([C@H](Cl)Cc2ccccc2I)cc1Br 2034638471 GEMJEBYWXRMYNF-SNVBAGLBSA-N 457.558 5.646 50 10 JKGE CC(C)(C)OC(=O)N1CCC[C@@](CI)(OC2CC3(CCCCC3)C2)C1 2073138618 OVIDMPJUISJHNS-FQEVSTJZSA-N 463.400 5.321 50 10 JKGE Cc1sc(Br)c([C@@H](Br)c2ccc(Br)c(F)c2)c1C 2082884301 KPFRIRYSNWTUJB-LBPRGKRZSA-N 457.000 6.513 50 10 JKGE C[C@H]1Cc2cc([C@H](Br)c3occc3Br)cc(Br)c2O1 2090470553 OZABOLNSHNVWFY-MADCSZMMSA-N 450.952 5.612 50 10 JKGE Cc1c(Br)sc([C@H](Br)[C@@H]2CC3(CCCC3)CO2)c1Br 2109981491 XCJCUJSCDQLLEF-GXSJLCMTSA-N 473.068 6.367 50 10 JKGE CC(C)(C)[C@H](C[C@@H](Br)c1cc(Br)ccc1Br)C(F)F 2111377277 OGOYONIMDRXKPY-ZYHUDNBSSA-N 462.998 6.965 50 10 JKGE Clc1ccc([C@H](Br)CCc2cccc(Br)c2Br)cc1 2113492789 FPWKJXVVQYLHNX-CYBMUJFWSA-N 467.426 6.934 50 10 JKGE Cc1c(Br)sc([C@H](Br)C23CCC(C)(CC2)OC3)c1Br 2133547069 CBRKWJQABKUVDN-XGNXJENSSA-N 473.068 6.367 50 10 JKGE Cc1cc(Cl)c(Br)cc1[C@H](Br)Cc1ccc(Br)cc1 2137642558 KGMBCZSKHWUQSD-CYBMUJFWSA-N 467.426 6.852 50 10 JKGE COc1ccc(Br)cc1[C@@H](Br)c1ccc(I)c(C)c1 2142140090 FQKXWWYNZOIUMG-HNNXBMFYSA-N 495.980 5.855 50 10 JKGE Fc1ccccc1[C@@H](CBr)Cc1ccc(I)c(Cl)c1 2142940281 MNHQFMMCBDSYQF-LLVKDONJSA-N 453.520 5.805 50 10 JKGE C[C@]1(C2CC2)CN(c2c(CCl)ccc(Br)c2Cl)CCN1Cc1ccccc1 2154372262 BJGHQHRXDAMAOQ-JOCHJYFZSA-N 468.266 6.332 50 10 JKGE FC(F)(F)c1cc(Oc2nc(Cl)c(CBr)s2)ccc1Br 2155315291 YYXNYPKXOXIDOI-UHFFFAOYSA-N 451.489 6.265 50 10 JKGE Cc1nc(-c2ncc(Br)cc2Br)nc(C)c1CCCBr 2187360242 JEMLEZHBTNVMMC-UHFFFAOYSA-N 463.999 5.008 50 10 JKGE Cc1c(Br)ccc([C@@H](Br)c2ccc3nsnc3c2)c1Br 2203687947 RVCYCDJJVAKVNI-AWEZNQCLSA-N 477.019 6.009 50 10 JKGE COc1c(Br)cc(C)cc1[C@@H](Br)c1ccc(Br)cc1Cl 2203829241 IXZHTDFRAZZRGY-AWEZNQCLSA-N 483.425 6.666 50 10 JKGE Cc1nc([C@@H](Br)c2sc(Br)c(C)c2C)c(Br)s1 2213623505 CIGGJQCWOYITGA-SSDOTTSWSA-N 460.054 6.139 50 10 JKGE CCCN1C[C@H](Cl)[C@@H](c2sc(Br)c(Br)c2Br)C1 2216390811 CYWZOYRSWFLMFI-BQBZGAKWSA-N 466.464 5.452 50 10 JKGE Clc1cc(Br)c([C@H](Br)Cc2ccc(Br)cc2Cl)s1 2221704657 SBHPPFSGOUHDAH-MRVPVSSYSA-N 493.873 7.259 50 10 JKGE Cc1cc(Br)c([C@@H](Br)c2cc(Br)c(Cl)cc2F)s1 2221843896 RKPRGPGJULRDFC-NSHDSACASA-N 477.418 6.858 50 10 JKGE COc1ccc([C@@H](Cl)c2ccc(C)c(I)c2)c(Br)c1 2224621647 HCKWNPFXLIHPAN-HNNXBMFYSA-N 451.529 5.699 50 10 JKGE Fc1cc(Br)c(Br)cc1[C@H](Cl)c1c(F)cccc1Br 2225632207 AIDOIGWWQOFHLH-ZDUSSCGKSA-N 475.352 6.581 50 10 JKGE C[C@H](Cl)c1nc2cc(Br)c(Br)cc2n1[C@@H](C)CN(C)Cc1ccccc1 2225684144 ATPIKYWAFSFZCU-KBPBESRZSA-N 499.678 6.554 50 10 JKGE Cc1cc(Br)c([C@H](Br)C[C@H]2CO[C@@H](C)C2)c(C)c1Br 2227347747 KAHVJLLGINFNPN-XHVZSJERSA-N 455.028 6.080 50 10 JKGE CCCCCCc1ccc([C@@H](Cl)c2cc(Br)c(Br)s2)s1 2234123512 IICIHVLUWAKIFR-CQSZACIVSA-N 456.696 7.786 50 10 JKGE Cc1cc(Br)c([C@H](Br)[C@H]2CC[C@@H]2C(F)(F)F)c(C)c1Br 2235615817 VPNVXOATGOJUQB-MWODSPESSA-N 478.972 6.853 50 10 JKGE Cc1cc(Br)c([C@@H](Br)[C@@H]2C[C@H](C)O[C@H](C)C2)c(C)c1Br 2235616113 YMXXRUOPRKVJGW-WFLGSWMJSA-N 469.055 6.468 50 10 JKGE Fc1cc(F)c([C@H](Br)c2ccc(Br)cc2Cl)c(F)c1Br 2236107136 GBGLPUHUAHIGKN-LLVKDONJSA-N 493.342 6.767 50 10 JKGE C[C@@H](c1cc(Br)c(Br)s1)[C@H](CBr)NC(=O)OC(C)(C)C 2241450978 YZBYOPZYUYMUQZ-APPZFPTMSA-N 492.071 5.665 50 10 JKGE COc1ccc([C@H](Br)c2csnc2Br)cc1I 2248882680 LDCQCAQHUYOGCM-JTQLQIEISA-N 488.970 5.003 50 10 JKGE Cc1cc(Br)c([C@H](Cl)c2scc(Br)c2Br)c(C)c1F 2264497236 YHLIIUPYNIIMJJ-NSHDSACASA-N 491.445 7.120 50 10 JKGE COc1ccc([C@H](Br)c2ccc(Cl)c(I)c2)cc1C 2268278693 ICUMASWYRPKJDV-HNNXBMFYSA-N 451.529 5.746 50 10 JKGE CCCCc1ccc([C@@H](Br)c2ccc(Cl)c(I)c2)s1 2268283427 DIHHVUFCCYRBKG-HNNXBMFYSA-N 469.613 6.833 50 10 JKGE COc1c([C@H](Br)c2cc3sc(Br)cc3s2)csc1Cl 2278096486 LMOQJTRXOOUTNC-JTQLQIEISA-N 458.649 6.933 50 10 JKGE COc1ccc([C@H](Br)c2c(Br)c(C)nn2C)c(Br)c1Cl 2283547788 UWFCLNUAQKYLOM-NSHDSACASA-N 487.417 5.400 50 10 JKGE COc1c([C@@H](Cl)c2ccccc2I)cc(Br)c(C)c1C 2284586936 YQRALFLCGVIWJX-HNNXBMFYSA-N 465.556 6.007 50 10 JKGE Fc1cc(Cl)cc([C@@H](Br)c2c(F)cc(Br)c(F)c2Br)c1 2288350025 WCKFFFMRYZKMIA-LLVKDONJSA-N 493.342 6.767 50 10 JKGE CC(C)C[C@H](C(C)C)[C@@H](Br)c1c(F)cc(Br)c(F)c1Br 2288373860 NGEZCDVIAQQDBL-NOZJJQNGSA-N 477.025 7.244 50 10 JKGE O=C(CSc1nc2ccccc2n1Cc1ccccc1)NN=CC(Cl)=Cc1ccccc1 2293556293 MZFNCUILFPQNBD-UHFFFAOYSA-N 460.990 5.559 50 10 JKGE CCOc1cc(C=C(C#N)C(=O)Nc2cccc(Cl)c2Cl)ccc1OCc1ccccc1F 2294146922 CMHFALJDBWLYAD-UHFFFAOYSA-N 485.342 6.656 50 10 JKGE N#CC(C(=O)Nc1ccc(F)cc1)=C1S[C@@H](Cc2ccc(F)cc2)C(=O)N1c1ccccc1 2296507117 UFRNXXFOKVJCJV-QFIPXVFZSA-N 461.493 5.030 50 10 JKGE C=CCc1cc(C=C(C#N)c2ccc(C(=O)O)cc2)cc(OC)c1OCc1cccc([N+](=O)[O-])c1 2297379851 UGQMKKMXJLGOBH-UHFFFAOYSA-N 470.481 5.673 50 10 JKGE CC(C)N1CC(=Cc2ccc(Cl)cc2)C2=C(C1)[C@@H](c1ccc(Cl)cc1)C(C#N)=C(N)O2 2297504912 SDVIFSNPLNJRHI-QHCPKHFHSA-N 452.385 5.863 50 10 JKGE CC(C=Cc1ccccc1F)=NNC(=O)c1ccc(OCc2ccc(Br)cc2)cc1 2297577986 RQXZIMWLGLZOER-UHFFFAOYSA-N 467.338 5.986 50 10 JKGE Brc1ccc(OCc2ccccc2)c([C@H](Br)[C@H]2C[C@@H]3CC[C@H]2O3)c1 2299530025 HZWDGXBFVMWZMB-UUXHPUJUSA-N 452.186 6.032 50 10 JKGE Brc1cc2sc([C@H](Br)c3cnsc3Br)cc2s1 2300284711 JWHZHSDXFGLPPN-SECBINFHSA-N 474.062 6.429 50 10 JKGE Cc1cc(C=C(C#N)C(=O)N2CCN(c3ccccc3)CC2)c(C)n1-c1ccc(Br)cc1 2313545886 MHNXTRYJSVYKNU-UHFFFAOYSA-N 489.417 5.112 50 10 JKGE COc1cccc(C=C(C#N)C(=O)Nc2ccc(Cl)cc2)c1OCc1ccc(Cl)c(Cl)c1 2313630549 BOICUIQRGXBPFA-UHFFFAOYSA-N 487.770 6.780 50 10 JKGE C=CCN1C(=O)C(=Cc2cn(-c3ccccc3)nc2-c2ccc(OCC)c(Cl)c2)C(C)=C(C#N)C1=O 2314616545 DENNEIMFPNKTAG-UHFFFAOYSA-N 498.970 5.370 50 10 JKGE CCCOc1ccccc1[C@H]1C(C#N)=C(N)Oc2cc(OC(=O)C=Cc3ccc(OC)cc3)ccc21 2314634479 WYKRRWPWPJLQFG-MUUNZHRXSA-N 482.536 5.321 50 10 JKGE CC(C)(CCF)[C@H](Br)c1c(Cl)cc(Br)c(F)c1Br 2315445993 BRIMWSPWEINGAI-LLVKDONJSA-N 469.389 6.826 50 10 JKGE COc1cc(C=C(C#N)c2cccc(Cl)c2)ccc1OC(=O)c1ccc(Br)o1 2320506559 MICPJPOKMUGUNL-UHFFFAOYSA-N 458.695 5.987 50 10 JKGE N#CC(=Cc1ccc(OC(=O)CC(c2ccccc2)c2ccccc2)cc1)c1cccc(Cl)c1 2320506928 UUNCZJCFTSTNTF-UHFFFAOYSA-N 463.964 7.532 50 10 JKGE CCOc1ccc(C=CC(=O)NNC(=O)c2ccc(-c3ccc4ccccc4c3)s2)cc1OC 2328785141 GIBWOCRHFRTXLF-UHFFFAOYSA-N 472.566 5.450 50 10 JKGE COc1ccc(OC)c(-c2csc(C(C#N)=C(O)[C@@H](C)Oc3ccc(C(C)C)cc3)n2)c1 2331326005 OJIKPUWLNXHZGN-MRXNPFEDSA-N 450.560 6.211 50 10 JKGE N#CC(=Cc1ccc(OCc2ccc(Cl)cc2)cc1)c1nc(-c2cccc3ccccc23)cs1 2331456456 OWIJPICFMXOHNB-UHFFFAOYSA-N 479.004 8.260 50 10 JKGE COc1ccc(C(C)(C)C)cc1-c1csc(C(C#N)=Cc2cc(OC)c(OC)c(OC)c2)n1 2331461120 NABLOEGNMUKYJF-UHFFFAOYSA-N 464.587 6.206 50 10 JKGE COCC1([C@@H](Br)c2cc(Br)ccc2OCc2ccccc2)CCCCC1 2336077751 KPUGFIDJCMPPCO-NRFANRHFSA-N 482.256 7.061 50 10 JKGE Fc1c(Br)cc(Cl)c([C@@H](Br)[C@@H]2[C@H]3CCCC[C@H]32)c1Br 2337084249 JFWSDDFXXSYHIR-MYVOQBSASA-N 475.421 6.876 50 10 JKGE C[C@@H]1C[C@H](C[C@@H](Br)c2c(Cl)cc(Br)c(F)c2Br)CO1 2337094336 NZVIYFQMZQBACL-BWZBUEFSSA-N 479.409 6.255 50 10 JKGE COc1cccc(Oc2cc(Br)cc(I)c2)c1CBr 2338885079 MSAYFIXRFGGMQO-UHFFFAOYSA-N 497.952 5.750 50 10 JKGE COc1c(Br)cc(C)c([C@@H](Cl)c2ncsc2Br)c1Br 2339638419 ANHPXYBYCAEDCB-SECBINFHSA-N 490.442 6.076 50 10 JKGE C[C@]1([C@@H](Br)c2c(F)cc(Cl)c(Br)c2Cl)CCCC1(F)F 2360419478 AAWIAAMLNZVIIL-NWDGAFQWSA-N 454.939 7.157 50 10 JKGE Fc1ccc(Br)c([C@H](Cl)c2c(F)cc(Cl)c(Br)c2Cl)c1 2360491663 CUGWRFCEFOCPFR-LBPRGKRZSA-N 465.346 7.125 50 10 JKGE Cc1ccc([C@H](Cl)c2c(Cl)cc(Br)c(F)c2Br)cc1Cl 2362226476 VRGKDECDSCYPEJ-ZDUSSCGKSA-N 461.383 7.294 50 10 JKGE Fc1ccc([C@@H](Br)c2c(Cl)cc(Br)c(F)c2Br)cc1F 2362256693 ZWFYCORRHCUIPU-LLVKDONJSA-N 493.342 6.767 50 10 JKGE Cc1ccccc1C[C@H](CBr)Cc1ccc(Cl)c(I)c1 2362380280 QXPKGTTWWRPWSN-CQSZACIVSA-N 463.584 6.049 50 10 JKGE COc1c(C)cc([C@@H](Br)c2cc(Br)ccc2Br)cc1Cl 2362868460 FAIADTBYJMMZBD-CQSZACIVSA-N 483.425 6.666 50 10 JKGE O=[N+]([O-])c1ccc(Oc2cc(Br)cc(I)c2)cc1CCl 2364106494 KCHPYWBTBDIRKJ-UHFFFAOYSA-N 468.472 5.493 50 10 JKGE Cc1cc(Br)c(F)c(Br)c1[C@H](Br)C1(CC2CCC2)CC1 2365195126 YULUONYGWPXVBE-HNNXBMFYSA-N 469.030 7.066 50 10 JKGE COc1c(Br)cc(C)c([C@H](Br)c2cc(C)c(C)o2)c1Br 2365214406 ABRKRRPOBWHBHI-CYBMUJFWSA-N 466.995 6.223 50 10 JKGE N#C/C(=C/c1cn(-c2ccccc2)nc1-c1cc2ccccc2o1)C(=O)Nc1ccc(Cl)cc1Cl 2630102 YURXCHDZCGECAM-PDGQHHTCSA-N 499.357 7.138 50 10 JKGE O=C(NC1CCCC1)[C@@H](c1ccc(Cl)cc1)N(Cc1ccccc1Cl)C(=O)CCl 3039483 JTHASXFWJMKQDQ-OAQYLSRUSA-N 453.797 5.361 50 10 JKGE Cn1/c(=N/NC(=O)c2cc(-c3ccc(-c4ccccc4)cc3)nc3ccccc23)sc2ccccc21 12570415 HNJHWTRGLIKRLF-MEIHLTSWSA-N 486.600 6.368 50 10 JKGE COc1ccc(C(=O)N/N=C(\C)c2ccc(-c3ccccc3)cc2)cc1I 12574007 XOIILHCHPUOIOB-BUVRLJJBSA-N 470.310 5.121 50 10 JKGE N#C/C(=C\c1ccc(-c2ccc(Br)cc2)o1)c1nc(O)c2c3c(sc2n1)CCCC3 28357482 ZWGASRVXMVXCCN-SDNWHVSQSA-N 478.371 6.362 50 10 JKGE Cc1ccc2c(C)c(C(=O)Oc3ccc4c(c3)OC(N)=C(C#N)[C@@H]4c3cccc(Cl)c3)oc2c1 38687693 ZFVIYDXSQAIYLB-XMMPIXPASA-N 470.912 6.140 50 10 JKGE CCOc1cccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4oc5ccc(CC)cc5c4C)ccc32)c1 38701214 WTGJYJUILIKKCW-HHHXNRCGSA-N 494.547 6.140 50 10 JKGE CCCOc1ccccc1[C@H]1C(C#N)=C(N)Oc2cc(OC(=O)c3ccc(Cl)cc3)ccc21 40529703 OYUIRGLWILIIKK-XMMPIXPASA-N 460.917 5.566 50 10 JKGE COc1cc(C=C2C(=O)c3ccccc3C2=O)ccc1OC(=O)/C(C#N)=C/c1ccc(Cl)cc1 40844468 HYGBIYYXPNKMFU-LDADJPATSA-N 469.880 5.324 50 10 JKGE COc1ccc2ccccc2c1/C=N/NC(=O)COc1ccc(Br)cc1C(C)(C)C 40912140 WOEGHQVAYJYLDM-VULFUBBASA-N 469.379 5.438 50 10 JKGE CCOc1ccc([C@H](O)CCC(=O)N/N=C\c2ccccc2OCc2ccc3ccccc3c2)cc1 58895529 FFTRXNCCRLRZNW-JGFAXXQYSA-N 482.580 5.781 50 10 JKGE COc1ccc(/C=N/NC(=O)CCCSc2nnc(CCc3ccccc3)n2-c2ccccc2)cc1 58987739 GZBWDRJMCZOFQW-XHLNEMQHSA-N 499.640 5.084 50 10 JKGE CCCCCOc1ccccc1C(=O)N/N=C/c1ccccc1OCc1ccc(C(=O)O)cc1 59147485 ZXPMCBNFZJZUKH-MTDXEUNCSA-N 460.530 5.297 50 10 JKGE CN1C(=O)/C(=N\NC(=O)CSc2c(Cl)c(Cl)c(Cl)c(Cl)c2Cl)c2ccccc21 59147745 NYXOYFHOLRZRGB-IWIPYMOSSA-N 497.618 5.543 50 10 JKGE Cc1ccc(Cl)cc1NC(=O)/C(C#N)=C\c1cc(Br)ccc1OCc1cccc(F)c1 59224663 YRGPVOFILLFAGI-ZDLGFXPLSA-N 499.767 6.675 50 10 JKGE Clc1cc(I)c(OCC2(CBr)CCCC2)c2ncccc12 96870103 BCIAUPLGWCLFPI-UHFFFAOYSA-N 480.571 5.827 50 10 JKGE N#C/C(=C/Nc1cccc(Br)c1)c1nc(-c2cc3cc([N+](=O)[O-])ccc3oc2=O)cs1 100480635 OIWMRDIEEJDIOD-RAXLEYEMSA-N 495.314 5.564 50 10 JKGE C=CCN1C(=O)C(C#N)=C(C)/C(=C\c2cn(-c3ccccc3)nc2-c2ccc(OCC(C)C)cc2)C1=O 101231021 GIWPSQIFTLKRMR-WGOQTCKBSA-N 492.579 5.352 50 10 JKGE C=CCc1ccc(OCCOc2c(Cl)cc(/C=C(/C#N)C(=O)OCC)cc2OCC)c(OC)c1 102585730 WCGWVYOJHBKRJK-MOSHPQCFSA-N 485.964 5.404 50 10 JKGE Cc1ccc(C(=O)N/C(S)=C(/C#N)[P+](c2ccccc2)(c2ccccc2)c2ccccc2)cc1 102775818 HWDMJKTYUWACFL-ORIPQNMZSA-O 479.565 5.341 50 10 JKGE CCOc1ccc(Br)cc1[C@@H](Br)c1ccc(I)cc1 109871540 MBYRMWICQILFIB-HNNXBMFYSA-N 495.980 5.937 50 10 JKGE Cc1cc(Br)c([C@H](Br)c2ccc(F)cc2C)cc1Br 127570532 AIIBUOVCIKWCBR-OAHLLOKOSA-N 450.971 6.452 50 10 JKGE CCCCC1CCC([C@@H](Br)c2cc(Br)c(Br)s2)CC1 128247097 SSSSXXRWLHMBLM-QIMFLAQGSA-N 473.112 7.706 50 10 JKGE Cc1cc(Br)c([C@@H](Br)c2ccc3c(c2)CCC3)cc1Br 128779779 BDHSHODDVGXBOU-KRWDZBQOSA-N 459.019 6.493 50 10 JKGE COc1cc(/C=C(/C#N)C(=O)NCc2ccccc2)ccc1OC(=O)COc1ccc(C(C)(C)C)cc1 206398866 BQHLMHYPONYLMQ-KQWNVCNZSA-N 498.579 5.200 50 10 JKGE CCCOc1ccccc1/C=C(/C#N)C(=O)Nc1nc(-c2ccc(-c3ccccc3)cc2)cs1 206986060 TZHKTTSCEXAWIM-ULJHMMPZSA-N 465.578 6.812 50 10 JKGE N#C/C(=C/NCCc1cccc(Br)c1)C(=O)Nc1ccc(Oc2ccccc2)cc1 217212368 WZMNBYJIPUUINR-ZPHPHTNESA-N 462.347 5.420 50 10 JKGE CCCOc1ccc([C@H](Cl)c2cccc(I)c2)cc1Br 229001767 KDHIHXHOJKBPDU-MRXNPFEDSA-N 465.556 6.171 50 10 JKGE Cc1cc([C@H](Br)c2cc(Cl)ccc2Br)c(C)cc1Br 235858419 NSEWIYSMPSRCMP-HNNXBMFYSA-N 467.426 6.966 50 10 JKGE Clc1ccc(I)c([C@@H](Cl)Cc2cccc(Br)c2)c1 236019815 TZTDEIWCNWUBNT-ZDUSSCGKSA-N 455.948 6.230 50 10 JKGE Clc1ccc(C[C@@H](Br)c2ccc(Br)cc2Br)cc1 236045952 BOIHVQKRBRKAPS-CYBMUJFWSA-N 453.399 6.544 50 10 JKGE Fc1cccc(C[C@H](Cl)c2cc(I)ccc2Br)c1F 236221837 DUIRLGAAXNMFPM-LBPRGKRZSA-N 457.483 5.855 50 10 JKGE N#CC1=C(N)Oc2cc(O)c(C=Nc3cc(C(F)(F)F)ccc3Cl)cc2[C@@H]1c1ccco1 252625097 QDFIVRFZLZFSNC-FQEVSTJZSA-N 459.811 5.626 50 10 JKGE CCOc1cc(CBr)cc(Br)c1OCCCOCc1ccccc1 310319454 YGWPQNPFVRCXRY-UHFFFAOYSA-N 458.190 5.728 50 10 JKGE O=C1Cc2cc([C@@H](Br)c3cccc(OCc4ccccc4)c3)c(Br)cc2N1 312752209 WENXHLYNBFLHEV-QFIPXVFZSA-N 487.191 6.007 50 10 JKGE Fc1cc2c(cc1Br)nc(CCCl)n2C[C@@H]1CCCN1Cc1ccccc1 390672538 WAEUVWYEUWVYMK-INIZCTEOSA-N 450.783 5.384 50 10 JKGE CC(C)(C)[C@@H]1CC[C@@H](Br)[C@H](Cc2cc(Cl)ccc2I)C1 405355105 XJBNJMOVOAHWSZ-UXIGCNINSA-N 469.632 6.713 50 10 JKGE Brc1ccc([C@H](Br)c2cc(Br)cc3c2OCCC3)cc1 688378226 INVMLEHLGVCWKK-HNNXBMFYSA-N 460.991 6.021 50 10 JKGE Fc1ccc([C@H](Cl)c2cc(Br)ccc2I)c(F)c1Cl 689688124 CMHKSUQCHZZHDJ-NSHDSACASA-N 477.901 6.314 50 10 JKGE Cc1cc([C@H](Br)Cc2ccc(Br)cc2F)c(C)cc1Br 692793506 VMWIKBPNHBHMGA-OAHLLOKOSA-N 464.998 6.646 50 10 JKGE BrC[C@@H](Cc1ccccc1Br)Cc1sncc1Br 719830570 QABXUUDFEVPVGI-VIFPVBQESA-N 454.025 5.464 50 10 JKGE COc1ccc(Br)cc1[C@H](Br)c1sc(C)c(Br)c1C 724913907 IBGWIKJGRWPUEO-ZDUSSCGKSA-N 469.036 6.383 50 10 JKGE COc1cc(/C=C(\C#N)C(=O)Nc2cccc(Cl)c2Cl)cc(Br)c1OCC#N 1083905551 XQPYKMMGTXKUOQ-KPKJPENVSA-N 481.133 5.213 50 10 JKGE CCOc1cc(/C=C(/C#N)C(=O)Nc2cccc3ccccc23)ccc1OCc1ccc(C)cc1 1084004752 HDAMXCYGHRMBAY-UQQQWYQISA-N 462.549 6.672 50 10 JKGE N#C/C(=C/c1cc(Br)ccc1OCc1cccc(F)c1)C(=O)Nc1ccccc1 1084279964 FVOKUSRSVFKXOR-PDGQHHTCSA-N 451.295 5.713 50 10 JKGE Cc1ccc(Cl)cc1NC(=O)COc1cccnc1NC(=O)Nc1ccc(SC#N)cc1 1858833677 WYSNKOWPOSUCJQ-UHFFFAOYSA-N 467.938 5.278 50 10 JKGE N#CC1=C(N)Oc2c(c(C(F)(F)F)nn2Cc2ccc(Cl)c(Cl)c2)[C@H]1c1ccccc1Cl 1865685878 OBKKEMUFEKGTOU-INIZCTEOSA-N 499.707 6.129 50 10 JKGE CCCc1nn(Cc2cccc(Cl)c2)c2c1[C@H](c1c(OC)ccc3ccccc13)C(C#N)=C(N)O2 1865687855 BXGMWMVITJYFOK-VWLOTQADSA-N 484.987 5.917 50 10 JKGE COc1ccc(-c2nn(Cc3cccc(Cl)c3)c3c2[C@@H](c2cccs2)C(C#N)=C(N)O3)cc1 1865697783 BOXYKWPPHCJVCC-OAQYLSRUSA-N 474.973 5.540 50 10 JKGE CCCc1nn(C)c2c1[C@@H](c1ccc(OCc3ccc(Cl)cc3Cl)cc1)C(C#N)=C(N)O2 1865701390 UNRWPGRFIVUBEG-NRFANRHFSA-N 469.372 5.477 50 10 JKGE CCCc1nn(-c2ccc(Cl)c(Cl)c2)c2c1[C@H](c1ccccc1C(=O)O)C(C#N)=C(N)O2 1865704573 YXHIOSWHXFDEIS-LJQANCHMSA-N 469.328 5.048 50 10 JKGE COc1ccc(-c2nn(-c3ccccc3Cl)c3c2[C@@H](c2ccc(F)cc2)C(C#N)=C(N)O3)cc1 1865708003 LPQOCZCICTWNDS-QFIPXVFZSA-N 472.907 5.559 50 10 JKGE Cc1nc(-c2ccc(F)c(F)c2)ccc1C(=O)NNC(=O)/C=C/c1ccc(Cl)cc1Cl 1865757215 RRUJLQOJMKSBRM-RUDMXATFSA-N 462.283 5.116 50 10 JKGE CC[C@@H](NC(=O)Cc1nc(-c2ccc(C(C)C)cc2)oc1C)C(=O)Nc1ccc(SC#N)cc1 1867183362 LPCJKDMPZRKPHA-JOCHJYFZSA-N 476.602 5.423 50 10 JKGE CC(C)c1nc(Nc2ccc(SC#N)cc2)cc(N2CCO[C@@H](c3cccc(Cl)c3)C2)n1 1868231345 DIAJPOAXCYIEKN-OAQYLSRUSA-N 466.010 6.148 50 10 JKGE N#C/C(=C(/O)CCCOc1ccccc1Cl)c1nc(-c2ccc(Br)cc2)cs1 1872746620 QAXCUROAAONJIC-MNDPQUGUSA-N 475.795 6.878 50 10 JKGE COc1cc(/C=C/C(O)=C(\C#N)c2nc(-c3cccs3)cs2)cc(Br)c1OC 1872750555 LIVYIUCYFCKAPE-CWJIQUONSA-N 475.389 6.157 50 10 JKGE COc1c(Cl)cc(-c2csc(/C(C#N)=C(\O)CCCOc3ccccc3)n2)cc1Cl 1872756388 YICUAAWUFOPRGN-SILNSSARSA-N 461.370 6.777 50 10 JKGE COc1ccc(-c2csc(/C(C#N)=C(\O)Cc3ccc(OC(C)C)cc3)n2)c(OC)c1OC 1872759523 REHWGBWDYRDREB-VZCXRCSSSA-N 466.559 5.658 50 10 JKGE CCOc1ccc(-c2csc(/C(C#N)=C/c3ccc(OCc4ccc(C)cc4)cc3)n2)c(OCC)c1 1872793471 BJGQXSHBVVRTEX-LFVJCYFKSA-N 496.632 7.559 50 10 JKGE CC(C)(C)OC(=O)N[C@H](CBr)[C@@H]1CCCC[C@]12CCN(C(=O)OC(C)(C)C)C2 1885093025 JZVBOOUPLDBKOB-GCKMJXCFSA-N 461.441 5.092 50 10 JKGE ClCCN(Cc1ccccc1)Cc1ccc(I)c(Br)c1 1893241639 NDCCELPYWWNDPF-UHFFFAOYSA-N 464.572 5.295 50 10 JKGE O=S(=O)(c1ccc(Cl)c(Br)c1)N(Cc1ccccc1)[C@H](CCl)C1CC1 1915143265 MDKFFNKWAGSMAX-GOSISDBHSA-N 463.224 5.311 50 10 JKGE CC[C@H](c1ccccc1)[C@@H](Br)c1sc(Br)cc1Br 1922945914 LSQJYQUVLPDINC-ZWNOBZJWSA-N 453.037 6.903 50 10 JKGE Clc1c(Br)sc(Br)c1[C@H](Br)c1ccc2c(c1)CCO2 1923067980 LFDUHRNEPQHINN-SNVBAGLBSA-N 487.438 6.346 50 10 JKGE Clc1c(Br)sc(Br)c1[C@H](Br)CCC1CCCC1 1923072574 PUARKMVLGWPSPY-MRVPVSSYSA-N 465.476 7.333 50 10 JKGE Clc1c(Br)sc(Br)c1[C@H](Br)c1cccc(C2CC2)c1 1923074517 NRTIZNLAMNUJNJ-LLVKDONJSA-N 485.466 7.288 50 10 JKGE Cl[C@@H](c1c(Br)sc(Br)c1Br)[C@@H]1CC12CCCC2 1924568651 JTVBJBJWEGJWAL-IMTBSYHQSA-N 463.460 6.896 50 10 JKGE Fc1ccc(Cl)cc1[C@@H](Cl)c1c(Br)sc(Br)c1Br 1924595498 ZUGXQKYVCFRENE-SECBINFHSA-N 497.836 7.156 50 10 JKGE FC1CC([C@@H](Br)c2c(Br)sc(Br)c2Br)C1 1924615669 DZLRTGOUBYHSGU-BBZZFXJRSA-N 485.836 6.220 50 10 JKGE Brc1sc(Br)c([C@@H](Br)C23CC(CO2)C3)c1Br 1989835178 WKMWQAMEJDRBGG-POUYQYJTSA-N 495.856 5.651 50 10 JKGE Brc1ccc([C@H](Br)c2occc2Br)c(Br)c1 1994122441 MGCLEUTTYHKQEQ-JTQLQIEISA-N 473.784 6.051 50 10 JKGE CC1(C)CN(Cc2ccccc2)CCN1c1ccc(CBr)c(Br)c1 1997373613 KIIWGVPPFHNBFU-UHFFFAOYSA-N 452.234 5.445 50 10 JKGE Cl[C@H](c1ccc(OCc2ccccc2)cc1)c1ccc(Br)cc1Br 2024295913 WEVWBWBZRYMLMT-HXUWFJFHSA-N 466.600 7.119 50 10 JKGE COc1sc([C@H](Br)c2cc(Br)ccc2F)cc1Br 2034627901 AHPCWGGLEAEKJW-LLVKDONJSA-N 458.972 5.905 50 10 JKGE CCN(Cc1ccccc1)c1ccc(C=C(C#N)C(=O)c2cc(C)n(-c3ccccc3F)c2C)cc1 2042446415 QOXJRCPEISDJMN-UHFFFAOYSA-N 477.583 7.050 50 10 JKGE N#CC(=Cc1cc(OC(=O)c2ccccc2Cl)cc2ccccc12)c1nnc2n1CCCCC2 2042453651 VZQUORNTMOVBPK-UHFFFAOYSA-N 468.944 6.094 50 10 JKGE Brc1cc([C@H](Br)c2ccc3nsnc3c2)c(Br)s1 2057042528 QJALZDUUMJAOGL-SNVBAGLBSA-N 469.021 5.762 50 10 JKGE Brc1cc([C@H](Br)[C@H]2C[C@H]2C2CCCCC2)sc1Br 2079383236 BWCLRBJEDFAZSV-OUJBWJOFSA-N 457.069 6.926 50 10 JKGE Cc1nn(C)c([C@@H](Cl)c2ccc(Br)cc2Br)c1Br 2083330811 SOGDYHSUMZJXON-NSHDSACASA-N 457.391 5.344 50 10 JKGE COc1cscc1[C@@H](Br)c1ccc(Br)c(C)c1Br 2083334345 RKKGWBZHTOUQRW-ZDUSSCGKSA-N 455.009 6.074 50 10 JKGE Cc1cc(F)cc(C)c1[C@H](Br)c1c(Br)cccc1Br 2094090800 LFUGGMXNXKEVMP-HNNXBMFYSA-N 450.971 6.452 50 10 JKGE FC1(F)[C@H]2C[C@](CBr)(Cc3cc(Cl)ccc3I)C[C@H]21 2107642783 JJMXVBXWDGRFBM-PJXYFTJBSA-N 461.515 5.544 50 10 JKGE CC(C)(C)[C@@H]1[C@@H](Br)CCN1Cc1cc(Br)ccc1Br 2128686531 JFXMKULAGFQRNX-KBPBESRZSA-N 454.044 5.596 50 10 JKGE Cc1c(Br)ccc([C@H](Br)[C@H]2OCCOC2(C)C)c1Br 2138853373 QCTXLPSBCRRSMJ-QWHCGFSZSA-N 457.000 5.150 50 10 JKGE Cc1c(Br)ccc([C@H](Br)[C@@H]2C[C@@H]3C[C@H]3C[C@H]2C)c1Br 2138863560 MIIPKSPVNBTJRO-ZTAACELJSA-N 451.040 6.638 50 10 JKGE O=C(c1cc(Br)sc1Br)N1CCCC[C@H]1CCCBr 2141716155 KPWXAKDTIGSKDP-VIFPVBQESA-N 474.056 5.443 50 10 JKGE O=S(=O)(c1ccc(CCl)c(Br)c1)N(Cc1ccccc1)CC1CCCCC1 2152154221 IQILIEVVIINOAY-UHFFFAOYSA-N 470.860 5.959 50 10 JKGE C[C@H]1[C@H](n2c(CCCl)nc3cc(Cl)c(Br)cc32)CCN1Cc1ccccc1 2169015385 LOPLAYJGZRNBHY-IFXJQAMLSA-N 467.238 6.069 50 10 JKGE Cn1ncc(CC(CBr)(CBr)c2cccc(Cl)c2)c1Br 2173258064 OSNKCPQXSVTNSJ-UHFFFAOYSA-N 485.445 5.106 50 10 JKGE BrCc1cc(Br)c(OC[C@H]2C[C@@H]3CC[C@H](C2)O3)c(Br)c1 2181273522 AQOJOUFCZYKNKE-CNDDSTCGSA-N 469.011 5.443 50 10 JKGE CN(CC[C@H](Cl)c1ccccc1)c1ncc(I)cc1Br 2189900349 JTYSTHQYBDJHPG-AWEZNQCLSA-N 465.560 5.255 50 10 JKGE Brc1ccc([C@H](Br)[C@@H]2C[C@H]3CCCCCC[C@@H]32)c(Br)c1 2203681902 FDSLPCXADPGBGB-GKKDWNQVSA-N 465.067 7.254 50 10 JKGE FC(F)Oc1ccccc1[C@H](Br)c1ccc(Br)cc1Br 2203688945 WQGDHHCGRIOYLU-CYBMUJFWSA-N 470.933 6.297 50 10 JKGE FCCOc1ccc([C@@H](Br)c2ccc(Br)cc2Br)cc1 2203707851 XSVUXKIBQRKYDK-OAHLLOKOSA-N 466.970 6.044 50 10 JKGE CCOCc1cc(Br)c([C@@H](Br)c2ncsc2Br)s1 2217988257 QOCXIDKRLIECQU-QMMMGPOBSA-N 476.053 5.750 50 10 JKGE Cc1c(Br)sc([C@H](Br)c2c(F)cccc2Br)c1C 2218788380 CONUPFXNKFUVLI-LLVKDONJSA-N 457.000 6.513 50 10 JKGE Clc1cccc([C@H](Cl)Cc2sc(Br)c(Br)c2Br)c1 2222473927 UVDHAUWMFSUIKI-MRVPVSSYSA-N 493.873 7.212 50 10 JKGE Cc1cc([C@@H](Cl)c2c(Br)cc(Cl)c(Cl)c2Cl)ccc1Br 2232513874 SOBTZAYHDUGLSK-GFCCVEGCSA-N 477.838 7.808 50 10 JKGE CCOCc1cc(Br)c([C@H](Br)c2ccc(C)cc2Br)s1 2233017374 BYJOVGCRZXKFDM-CQSZACIVSA-N 483.063 6.602 50 10 JKGE Fc1cc([C@@H](Br)c2cc(Br)c(Br)cc2F)c(F)cc1Cl 2233974918 HQBYYTSSGHKEOS-ZDUSSCGKSA-N 493.342 6.767 50 10 JKGE Cc1cc(Br)c([C@H](Br)[C@H]2COCCC2(F)F)c(C)c1Br 2235596894 ABAVBXGAUQDLRS-NOZJJQNGSA-N 476.981 5.936 50 10 JKGE Cc1cc(Cl)ccc1[C@H](Br)c1c(Br)cc(C)c(Br)c1C 2235604650 ORWLVOYGPGWOAI-INIZCTEOSA-N 481.453 7.275 50 10 JKGE Brc1ccc(Br)c(CN2C[C@H](Br)CC23CCCCC3)c1 2241046691 MFFXOHDGOGBRRV-CQSZACIVSA-N 466.055 5.884 50 10 JKGE Clc1c(Br)csc1[C@H](Cl)c1sc(Br)cc1Br 2242671954 ZHLYQAKXNNJXCK-SSDOTTSWSA-N 485.875 7.079 50 10 JKGE CS(=O)(=O)c1cscc1[C@H](Br)c1cc(Cl)c(Br)s1 2260097112 XDNMUWKLLYMPBI-VIFPVBQESA-N 450.626 5.113 50 10 JKGE Cl[C@@H](Cc1cc(Br)cc(Br)c1)c1ccc(OCc2ccccc2)cc1 2263514028 VYBRCNCSNVOUAQ-NRFANRHFSA-N 480.627 7.313 50 10 JKGE Clc1cc([C@@H](Br)c2cc3sc(Br)cc3s2)sc1Cl 2263570274 ZBQQBPZMIXJGDR-SNVBAGLBSA-N 463.068 7.578 50 10 JKGE COc1cc(Cl)c(Cl)cc1[C@@H](Cl)c1scc(Br)c1Br 2264368644 MGHCWJOKBCUVRI-LLVKDONJSA-N 465.421 6.917 50 10 JKGE Cn1nc([C@H](Cl)c2c(F)cc(Br)c(F)c2Br)cc1Br 2272730977 CMDPVFLFJJTXQA-JTQLQIEISA-N 479.344 5.314 50 10 JKGE Fc1cccc(I)c1[C@H](Cl)c1cc(Br)cc2c1OCC2 2282783968 KZTIRHGMVZRSNY-CQSZACIVSA-N 467.503 5.456 50 10 JKGE Fc1cccc(I)c1[C@@H](Cl)c1csc2c(Br)cccc12 2282785932 ZEVIFBJQGRGSAV-AWEZNQCLSA-N 481.555 6.736 50 10 JKGE Fc1cc(Br)c(F)c(Br)c1[C@H](Br)C1CC(C2CCC2)C1 2288485347 XRZMZBWTZMIQRQ-KJHLLKJSSA-N 472.993 6.752 50 10 JKGE N#CC(=Cc1ccc(OCc2ccccc2Cl)c(Br)c1)C(=O)NC1CCCCC1 2293233211 ONYSNYSFAJCHAA-UHFFFAOYSA-N 473.798 6.037 50 10 JKGE C=CCc1cc(C=C(C#N)C(=O)OCC)cc(OC)c1OCc1ccc(Br)cc1 2293858467 FIDWBJLUDPVRHH-UHFFFAOYSA-N 456.336 5.235 50 10 JKGE Cc1ccccc1NC(=O)C(C#N)=C1S[C@H](Cc2ccccc2)C(=O)N1c1ccccc1C 2296507248 ZSKZEYKQULAVGD-XMMPIXPASA-N 453.567 5.368 50 10 JKGE Cc1cc([N+](=O)[O-])ccc1NC(=O)C(C#N)=Cc1ccc(Oc2ccc([N+](=O)[O-])cc2C#N)cc1 2297551335 BDQJEJQWPOJVEL-UHFFFAOYSA-N 469.413 5.021 50 10 JKGE Brc1cc(OCc2ccccc2)ccc1[C@@H](Br)C1CC2(COC2)C1 2299491852 AUXZOYUAFSJOIQ-IBGZPJMESA-N 452.186 5.891 50 10 JKGE Cc1cccc(Br)c1[C@@H](Cl)c1sc(Cl)cc1I 2300955226 IVWMWHMDWPLDJK-LLVKDONJSA-N 461.977 6.405 50 10 JKGE CCc1ccc(NC(=O)C(C#N)=Cc2cc(Br)ccc2OCc2ccc(C)cc2)cc1 2313676829 MNXGANKCJLHCHD-UHFFFAOYSA-N 475.386 6.445 50 10 JKGE COc1cc(C=C(C#N)C(=O)Nc2cc(Cl)ccc2C)ccc1OCc1ccccc1Cl 2313681167 PPYVDWUGLNZXFM-UHFFFAOYSA-N 467.352 6.435 50 10 JKGE Fc1cc(Cl)c(Br)c(Cl)c1[C@@H](Br)c1ncsc1Br 2313745164 MJWLKORNVMOEDH-SSDOTTSWSA-N 498.824 6.598 50 10 JKGE CC(C)(CC(F)(F)F)[C@@H](Br)c1cc(Br)ccc1OCc1ccccc1 2314455043 LHJRGUOKZXWMFU-KRWDZBQOSA-N 480.162 7.443 50 10 JKGE CCc1ccc(C[C@H]2SC(=C(C#N)C(=O)Nc3ccc(C)cc3)N(c3ccc(OC)cc3)C2=O)cc1 2314592260 PDRIDRHHUJHTSU-AREMUKBSSA-N 497.620 5.631 50 10 JKGE Cc1cccc(NC(=O)C(C#N)=C2S[C@@H](Cc3ccccc3)C(=O)N2c2ccc(C)c(C)c2)c1 2314592336 RENQJFYYGCIUNN-VWLOTQADSA-N 467.594 5.677 50 10 JKGE Fc1c(Br)cc(Cl)c([C@H](Cl)c2cocc2Br)c1Br 2315452606 DPTMMNGGJGZRBV-SNVBAGLBSA-N 481.768 6.688 50 10 JKGE COC(C)(C)C1([C@H](Br)c2ccc(OCc3ccccc3)cc2Br)CC1 2320467762 VLPPPZLWVFQOCE-LJQANCHMSA-N 468.229 6.669 50 10 JKGE CC[C@H](C)[C@H](NC(=O)OC(C)(C)C)C(=O)NN=Cc1cccc(OCc2cccc(Cl)c2)c1 2328796326 BUYYZZOUBNEDDD-JTSKRJEESA-N 474.001 5.309 50 10 JKGE CCCCCCCCCOc1ccc(C=NNC(=O)[C@H](C)NC(=O)OC(C)(C)C)c(Cl)c1 2328818716 UEZVTZZMFQSDQG-SFHVURJKSA-N 468.038 5.833 50 10 JKGE CC(C)c1ccc(C=CC(=O)NCc2ccc(OC(=O)Nc3ccc(SC#N)cc3)cc2)cc1 2329313598 DIKYRMBNUUGZRT-UHFFFAOYSA-N 471.582 6.324 50 10 JKGE Cc1ccc2c(c1)nc(C(C#N)=Cc1ccccc1OCc1ccc(Br)cc1)n2C 2331018576 QSPPCXQMBIPCPI-UHFFFAOYSA-N 458.359 6.287 50 10 JKGE N#CC(=C(O)[C@H]1CC(=O)N(Cc2ccccc2)C1)c1nc(-c2ccc3c(c2)CCCC3)cs1 2331239885 OBGODYFQMPWMMW-QFIPXVFZSA-N 455.583 5.530 50 10 JKGE CC(C)Oc1ccc(C=C(C(O)=C(C#N)c2nc(-c3ccccc3Cl)cs2)c2ccccc2)cc1 2331266092 XOXDUOYJTLYJSU-UHFFFAOYSA-N 499.035 8.284 50 10 JKGE COc1cc(C)c(-c2csc(C(C#N)=C(O)CN3C(=O)c4ccccc4C3=O)n2)cc1C(C)C 2331353916 MLHKCLOGJUAEHY-UHFFFAOYSA-N 473.554 5.339 50 10 JKGE CCOc1ccc(-c2csc(C(C#N)=C(O)CNC(=O)c3ccc(Cl)cc3)n2)c(OCC)c1 2331386593 QHHDOPYQGPNACV-UHFFFAOYSA-N 483.977 5.484 50 10 JKGE CCOc1ccc(C=CC(O)=C(C#N)c2nc(-c3cc(Cl)ccc3OC)cs2)cc1OC 2331410785 DAWBGZNHHZTXFF-UHFFFAOYSA-N 468.962 6.385 50 10 JKGE CCCCc1ccc(-c2csc(C(C#N)=Cc3cc(Br)c(O)c(OCC)c3)n2)cc1 2331429369 RTGJJIREMVKPAH-UHFFFAOYSA-N 483.431 7.084 50 10 JKGE CC(C)CC1([C@H](Br)c2cc(Br)ccc2OCc2ccccc2)CCCC1 2336045999 AKZPRBVDGVHMOG-JOCHJYFZSA-N 480.284 8.071 50 10 JKGE CC1(C)C2CCC1([C@@H](Br)c1ccc(OCc3ccccc3)cc1Br)CC2 2336086495 NXDAXGGJUMCSEZ-QKTWPWEVSA-N 478.268 7.681 50 10 JKGE Fc1c(Br)cc(Cl)c([C@H](Br)[C@@H]2CC[C@@H]3C[C@H]3C2)c1Br 2337081286 UQKWYWGIPDLMST-HZLHGAJGSA-N 475.421 6.876 50 10 JKGE COc1c(Br)cc(C)c([C@@H](Br)C[C@@H](C)C2CC2)c1Br 2339639886 RMXYAGDDXVXIJT-KCJUWKMLSA-N 455.028 6.401 50 10 JKGE Cc1cc(Br)c(F)c(Br)c1[C@H](Br)[C@]12CCC[C@@H]1CC2 2339659758 WILOVTGTWTVUDF-NKZPBKNFSA-N 455.003 6.675 50 10 JKGE COc1cc(F)c([C@H](Br)c2csc(C)c2Br)cc1Br 2343566040 FHJPHUOEYFKYAV-ZDUSSCGKSA-N 472.999 6.214 50 10 JKGE Fc1cc(Br)c(F)c(Br)c1[C@H](Br)[C@H]1OC[C@@H]2CCC[C@H]12 2359722409 XKPFNYBGAVSFRL-JVSAYRRNSA-N 474.965 5.741 50 10 JKGE Fc1cccc(Br)c1[C@H](Cl)c1c(F)cc(Cl)c(Br)c1Cl 2360427865 CMMHJMBPABLPPH-LBPRGKRZSA-N 465.346 7.125 50 10 JKGE Fc1c(Br)cc(Cl)c([C@H](Cl)c2cc3sccc3s2)c1Br 2362241540 XTCKSUSJXBOFRO-GFCCVEGCSA-N 475.029 7.609 50 10 JKGE COCc1cc(Br)cc(C[C@@H](Br)c2cccc(Br)c2)c1 2362282323 SDCFPRFDRLZDNR-MRXNPFEDSA-N 463.007 6.037 50 10 JKGE Fc1cc(CBr)c(N2CCC[C@@]3(CCN(Cc4ccccc4)C3)C2)cc1Cl 2362412147 LWTBIHGZYUYMKB-QFIPXVFZSA-N 451.811 5.867 50 10 JKGE COc1cc(Cl)c(Cl)cc1[C@H](Cl)c1ccc(Cl)cc1I 2365596020 QDUJMHYFDBBAIL-CQSZACIVSA-N 461.941 6.588 50 10 JKGE O=C(c1scc(Br)c1Br)N1CCC[C@@H](Cl)[C@H]1C(F)(F)F 2370265125 AQEOZBYKTSJVIH-MUWHJKNJSA-N 455.521 5.047 50 10 JKGE CCC(C)(C)c1ccc(OCCCC(=O)N/N=C(/C)c2ccccc2O)c(C(C)(C)CC)c1 12312150 GYDUFRIWLVKBKT-BRPDVVIDSA-N 452.639 6.467 50 10 JKGE CCOc1cc(C(=O)Oc2cccc(/C=C(/C#N)c3ccccc3)c2)cc(OCC)c1OCC 31902614 ZTMNKAUJZXLISV-HAHDFKILSA-N 457.526 6.166 50 10 JKGE O=C(CSc1nc2ccccc2[nH]1)N/N=C\c1ccccc1OCc1ccc(Cl)cc1 32519930 VKNZYBSUPKZWIW-MXAYSNPKSA-N 450.951 5.038 50 10 JKGE C/C(=N/NC(=O)Cn1c(C(F)(F)F)nc2ccccc21)c1ccc2c(c1)Nc1ccccc1S2 33499338 IBOVHLZNMUMLHE-CPDSRJINSA-N 481.503 5.804 50 10 JKGE COc1cc(/C=C(/C#N)C(=O)Nc2ccc([N+](=O)[O-])cc2C)ccc1OCc1cccc2ccccc12 33929967 VBPOQDZPFVMKEV-HAHDFKILSA-N 493.519 6.190 50 10 JKGE CCOc1ccc(NC(=O)/C(C#N)=C\c2c(Oc3ccc(CC)cc3)nc3c(C)cccn3c2=O)cc1 34259809 NIIKRMVXBFHXID-FXBPSFAMSA-N 494.551 5.302 50 10 JKGE C/C(=N\NC(=O)[C@H](C)Oc1ccc(Cl)cc1C)c1cccc(NC(=O)C2CCCCC2)c1 35045952 JPELOIFKEVNONL-ADXYVXIDSA-N 455.986 5.475 50 10 JKGE CCOc1ccccc1[C@H]1C(C#N)=C(N)Oc2cc(OC(=O)Cc3cccc4ccccc34)ccc21 38650523 RDZRHYPAEBKCJB-GDLZYMKVSA-N 476.532 5.605 50 10 JKGE CCCCOc1ccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4ccccc4[N+](=O)[O-])ccc32)cc1 38650804 HPEIMCPYULIILV-VWLOTQADSA-N 485.496 5.211 50 10 JKGE CCCOc1ccccc1C(=O)Oc1ccc2c(c1)OC(N)=C(C#N)[C@@H]2c1ccccc1OCCC 38681837 VBIVSMUNALDOGF-HHHXNRCGSA-N 484.552 5.702 50 10 JKGE CCCCOc1ccccc1C(=O)Oc1ccc2c(c1)OC(N)=C(C#N)[C@H]2c1ccc(SC)cc1 38682591 NLNLIFQMRSSWQM-SANMLTNESA-N 486.593 6.025 50 10 JKGE CCCOc1ccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4ccc(F)cc4)ccc32)cc1OCC 38683792 KSQDLCDVSJVQOE-SANMLTNESA-N 488.515 5.451 50 10 JKGE COc1cccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4oc5cc(C)ccc5c4C)ccc32)c1OC 38688638 RDMXRNWNDZSBOB-RUZDIDTESA-N 496.519 5.504 50 10 JKGE Cc1c(C(=O)Nc2cc(Cl)ccc2Cl)oc2c1/C(=N/NC(=O)c1cccc(Cl)c1)CCC2 40813337 SQFBZHNVSWDIMM-OGLMXYFKSA-N 490.774 6.271 50 10 JKGE Cc1c(C(=O)Nc2ccc(F)cc2)oc2c1/C(=N/NC(=O)c1ccc(-c3ccccc3)cc1)CCC2 40822753 PXPFYGSLMQPDCL-FEZSWGLMSA-N 481.527 6.117 50 10 JKGE CC(C)(C)c1ccc(OCCCC(=O)Oc2ccc(C=C(C#N)C#N)cc2)c(Br)c1 40992646 XIKZOEBVYJVJEC-UHFFFAOYSA-N 467.363 5.942 50 10 JKGE CCCOc1ccc(-c2nn(-c3ccccc3)cc2/C=C(/C#N)C(=O)N[C@H](C)c2ccccc2)c(C)c1 96401971 XKGMULGJXTTXRV-VPQXQWKXSA-N 490.607 6.421 50 10 JKGE ClCc1nc2cc(I)ccc2n1-c1cc(Cl)c(Cl)cc1Cl 97353987 XUFCLUBIPNJJLH-UHFFFAOYSA-N 471.940 6.329 50 10 JKGE N#C/C(=C(/O)c1cc(Br)cnc1Cl)c1nc2cc(C(F)(F)F)ccc2s1 101018170 IOOPHDAGKHCZSJ-RAXLEYEMSA-N 460.662 6.076 50 10 JKGE CCc1ccc(N2C(=O)[C@H](Cc3ccc(C(C)C)cc3)S/C2=C(/C#N)C(=O)Nc2ccccc2)cc1 101244348 OFLFIVCCSIWGCQ-DBJYNHDPSA-N 495.648 6.437 50 10 JKGE Brc1ccc(Br)c([C@@H](Br)c2csc3ccccc23)c1 104036458 HSUIGBZNAKVOFV-OAHLLOKOSA-N 461.016 6.911 50 10 JKGE COc1ccc([C@H](Br)c2cc(F)cc(Br)c2)c(Br)c1 104036912 BQDDYDUOHXDXGO-CQSZACIVSA-N 452.943 5.844 50 10 JKGE CC(C)c1ccc([C@H](Br)c2ccccc2I)c(C(C)C)c1 109857160 HDPFWGQLSOSPOG-IBGZPJMESA-N 457.193 7.022 50 10 JKGE COc1cc(C)c(Br)cc1[C@@H](Br)Cc1cccc(Br)c1 115867212 ZHHNMOILMAGPTL-HNNXBMFYSA-N 463.007 6.207 50 10 JKGE Fc1ccc([C@H](Cl)c2cc(Br)c(Br)s2)c(Br)c1 128130996 LYUFFSMYZLGXQR-JTQLQIEISA-N 463.391 6.503 50 10 JKGE N#Cc1cc(Br)ccc1-n1c(CCl)nc2cc(I)ccc21 132705864 WNMNRHASCOFRQF-UHFFFAOYSA-N 472.511 5.003 50 10 JKGE Cl[C@H](CCCCCCC[C@@H](Cl)CC(Cl)(Cl)Cl)CC(Cl)(Cl)Cl 200054576 RJDHDMJENXNJDM-GHMZBOCLSA-N 459.927 8.453 50 10 JKGE in-vitro CCOc1cc(/C=C2\C(=O)N(Cc3ccccc3)C(=O)C(C#N)=C2C)ccc1OCc1ccc(C)cc1 214282972 OTCDPXCRMPOXFO-QQXSKIMKSA-N 492.575 5.765 50 10 JKGE N#C/C(=C/NC1CCN(Cc2ccccc2)CC1)C(=O)Nc1ccc(Oc2ccccc2)cc1 217212085 RDZCXFOQOCEPFG-ATJXCDBQSA-N 452.558 5.079 50 10 JKGE COCCOc1ccc([C@H](Cl)c2ccc(I)cc2)cc1Br 229013822 IQKIRDTXLGCJJT-MRXNPFEDSA-N 481.555 5.407 50 10 JKGE Fc1ccc([C@H](Br)c2cc(Cl)c(Br)cc2F)cc1Br 236245250 KPIMBJRHPHNCTH-ZDUSSCGKSA-N 475.352 6.628 50 10 JKGE O=C(NN=Cc1ccc(Cl)cc1Cl)/C(=C\c1cccs1)NC(=O)c1ccccc1Cl 252593993 BOFZRIYDVPCKCS-POZASQTKSA-N 478.788 5.630 50 10 JKGE COc1cc(C=NNC(=O)c2cc3c(s2)CC[C@@H](C)C3)ccc1OCc1ccccc1Cl 254700175 GVTHVILFGUIYIF-MRXNPFEDSA-N 469.006 5.878 50 10 JKGE Fc1cc([C@@H](Br)c2ccc(OCc3ccccc3)cc2)c(F)cc1Br 310906588 PYSHWPWRQNSHAC-FQEVSTJZSA-N 468.135 6.791 50 10 JKGE Cl[C@@H](c1cc(Br)cc2c1OCC2)c1sccc1I 311205492 JFWLCJNXHIXIRF-NSHDSACASA-N 455.542 5.378 50 10 JKGE Cn1ncc([C@H](Br)c2cc(Cl)c(Br)cc2F)c1Br 379203580 JCXWWQSSMQUQBX-SNVBAGLBSA-N 461.354 5.222 50 10 JKGE O=C(OCc1ccccc1)N1C[C@H](CCl)[C@H](c2cc(Cl)ccc2I)C1 382727757 RQBNHOBVQXTICA-WMLDXEAASA-N 490.168 5.536 50 10 JKGE CC1(C)C[C@H](Br)CCN(C(=O)c2ccc(Br)cc2Br)C1 395320546 ADPALNNXVIXDSJ-LLVKDONJSA-N 468.027 5.237 50 10 JKGE CC(C)(C)[Si](C)(C)OCCc1ccccc1[C@H]1CCCCN1S(=O)(=O)c1ccccc1 616615048 DMAAXAYJDOEJBL-XMMPIXPASA-N 459.728 6.167 50 10 JKGE Fc1ccc(N2CC[C@H]3[C@H](CCCN3Cc3ccccc3)C2)c(CBr)c1Cl 715015073 OQVWUBYIFGJDRQ-XLIONFOSSA-N 451.811 5.865 50 10 JKGE BrCC(CBr)(C[C@H]1CCCS1)c1cccc(Br)c1 715880876 MXECKTGNQQNHQJ-CYBMUJFWSA-N 457.069 5.762 50 10 JKGE O=C(Nc1cccc(CBr)c1)c1ccc(I)c(Br)c1 721508946 JIKFKOARPWBESZ-UHFFFAOYSA-N 494.952 5.201 50 10 JKGE Cc1cc(C=NNC(=O)CSCc2cccc(Br)c2)c(C)n1-c1cccc(Cl)c1 725380124 KCKQXWYKCAHTKY-UHFFFAOYSA-N 490.854 5.894 50 10 JKGE Cc1cc(C=NNC(=O)C(=O)Nc2cccc(C(F)(F)F)c2)c(C)n1-c1cccc(Cl)c1Cl 725440999 XOCLNUQLRHFTMP-UHFFFAOYSA-N 497.304 5.509 50 10 JKGE Cc1cc(C=NNC(=O)c2ccc(Cl)c(Cl)c2)c(C)n1-c1ccc(C(=O)O)c(Cl)c1 1084019552 ZNFFHDRCRBLQIU-UHFFFAOYSA-N 464.736 5.516 50 10 JKGE COc1cc(C=NNC(=O)[C@@H]2[C@H]3CCCC[C@@]32C)ccc1OCc1ccc(Cl)cc1Cl 1084089210 FCIIGKDETAEHNI-OUOWLKGYSA-N 461.389 5.857 50 10 JKGE CCOc1ccc([C@H](O)CCC(=O)NN=Cc2ccc(OCc3cccc4ccccc34)cc2)cc1 1084181695 NDARDSZSHPTXFO-GDLZYMKVSA-N 482.580 5.781 50 10 JKGE Cc1cc(C=NNC(=O)c2cc3ccccc3cc2O)c(C)n1-c1cc(Cl)ccc1Cl 1084598600 BBTQAFQWVPXNEZ-UHFFFAOYSA-N 452.341 6.024 50 10 JKGE COc1ccc(/C(C#N)=C/c2cccc(OC(=O)c3ccc(Br)o3)c2)cc1OC 1615066973 YLLJFECDZHVRIG-MHWRWJLKSA-N 454.276 5.343 50 10 JKGE CCc1ccc(OC(=O)c2oc3c(c2C)C(=NNC(=O)c2ccccc2Br)CCC3)cc1 1772745788 HHPZNWCRUURYFT-UHFFFAOYSA-N 495.373 5.603 50 10 JKGE Cc1cc(C)c2c(CC(=O)NN=C3CCCc4oc(C(=O)Nc5nccs5)c(C)c43)coc2c1 1772752006 RCPGMBGLSKQQJK-UHFFFAOYSA-N 476.558 5.059 50 10 JKGE N#CSc1ccc(NC(=O)Oc2cccc3c(NC(=O)COc4ccccc4)cccc23)cc1 1858772580 QBYXBQAFCPSHNB-UHFFFAOYSA-N 469.522 6.041 50 10 JKGE COc1ccc(-c2nn(-c3ccc(OC)cc3)c3c2[C@@H](c2cccc(Cl)c2)C(C#N)=C(N)O3)cc1 1865683907 QDAYZUAEXZMBCZ-QHCPKHFHSA-N 484.943 5.428 50 10 JKGE CCCc1nn(Cc2c(F)cccc2Cl)c2c1[C@@H](c1ccc(Cl)c(Cl)c1)C(C#N)=C(N)O2 1865686064 QMTFHNAHQORMPL-FQEVSTJZSA-N 491.781 6.201 50 10 JKGE COc1ccc(-c2nn(CC(C)C)c3c2[C@H](c2c(F)cccc2Cl)C(C#N)=C(N)O3)cc1 1865686487 WWGYNFMERLQWHD-IBGZPJMESA-N 452.917 5.225 50 10 JKGE CCCc1nn(Cc2ccc(Cl)c(Cl)c2)c2c1[C@H](c1cc(OC)ccc1OC)C(C#N)=C(N)O2 1865693480 WGMGXAQITAAIPO-JOCHJYFZSA-N 499.398 5.426 50 10 JKGE CCCCCOc1ccc([C@H]2C(C#N)=C(N)Oc3c2c(CC)nn3Cc2ccccc2F)cc1OC 1865695601 FCDYOLCNXYEQLQ-VWLOTQADSA-N 490.579 5.429 50 10 JKGE Cn1nc(C(F)(F)F)c2c1OC(N)=C(C#N)[C@@H]2c1c(OCc2ccccc2)ccc2ccccc12 1865704547 YJVHBCDIWYPHKN-OAQYLSRUSA-N 476.458 5.389 50 10 JKGE CCc1ccc(CCC(=O)NNC(=O)c2ccc(-c3ccc(Cl)c(Cl)c3)nc2C)cc1 1865759273 QYYNSTLHNCCQSN-UHFFFAOYSA-N 456.373 5.320 50 10 JKGE CC[C@@](C)(NC(=O)C[C@H](c1ccc(F)c(C)c1)C(C)C)C(=O)Nc1ccc(SC#N)cc1 1866766281 MBZGIWCBQJOISB-SQJMNOBHSA-N 455.599 5.761 50 10 JKGE COc1cc2c(cc1OC)C(C)(C)CN(c1cc(Nc3ccc(SC#N)cc3)nc(C(C)C)n1)C2 1868231860 UQIOCGHVDVFDHX-UHFFFAOYSA-N 489.645 6.232 50 10 JKGE Cc1ccccc1-c1nc(Nc2ccc(SC#N)cc2)cc(N2CCC(c3ncncn3)CC2)n1 1868301513 QVFNSAFJVBWJQV-UHFFFAOYSA-N 480.601 5.338 50 10 JKGE Cc1c(OCc2cccc(CCl)c2)ccc2c1O/C(=C\c1cc(Cl)cc3c1OCOC3)C2=O 1871437329 SBGZWXWRYUTMRB-RMORIDSASA-N 483.347 6.449 50 10 JKGE COc1cc(/C=C(\C#N)c2nc3ccccc3n2C)ccc1OCC(=O)Nc1ccc(C)cc1C 1872726741 DSASZAHOFBFSJH-KGENOOAVSA-N 466.541 5.280 50 10 JKGE CCCCCCCCCOc1ccc(/C=C(\C#N)c2cc3c(cc2[N+](=O)[O-])OCCO3)cc1OCC 1872728600 KWRNJCRNSFXMQI-CJLVFECKSA-N 494.588 6.958 50 10 JKGE CCOc1cc(/C(O)=C(\C#N)c2nc(-c3ccc4c(c3)OCO4)cs2)cc(OCC)c1OCC 1872752754 QQTJKTGTLVDKOS-QJOMJCCJSA-N 480.542 5.685 50 10 JKGE CC[C@@H](C)[C@@H](/C(O)=C(\C#N)c1nc(-c2ccc(Cl)s2)cs1)N1C(=O)c2ccccc2C1=O 1872758237 QUBXNBPWCNSUEV-YZIOPHNTSA-N 484.002 6.029 50 10 JKGE COc1ccc(-c2csc(/C(C#N)=C/c3ccc(OCc4ccccc4)cc3)n2)c(C)c1C 1872793276 RKRMOAKVRZUSNE-HZHRSRAPSA-N 452.579 7.079 50 10 JKGE Cc1ccccc1COc1ccc(/C=C(\C#N)c2nc(-c3cc(C(C)(C)C)ccc3C)cs2)cc1 1872794173 NEMMCXMBBGDHSB-PCLIKHOPSA-N 478.661 8.368 50 10 JKGE N#C/C(=C(/O)c1ccc2c(c1)C(=O)N(C1CCCCC1)C2=O)c1nc(-c2cccc(Cl)c2)cs1 1872818074 LRBNHNUTYUCBTA-LNVKXUELSA-N 489.984 6.342 50 10 JKGE CN(C)c1ccc(/C(O)=C(\C#N)c2nc(-c3ccc(-c4ccccc4)cc3)cs2)cc1[N+](=O)[O-] 1873941138 YBVLIUAYNXUIGQ-DAFNUICNSA-N 468.538 6.401 50 10 JKGE BrC[C@H](C1CC1)N(Cc1ccccc1)c1nc2cc(Br)ccc2o1 1915192267 CVTBGYDOEINCCJ-QGZVFWFLSA-N 450.174 5.770 50 10 JKGE Cc1c(Br)sc([C@H](Br)CCOCC(F)F)c1Br 1922939367 HOEJPJSDUMZYNG-ZCFIWIBFSA-N 456.972 5.689 50 10 JKGE C[C@]1(CCOCc2ccccc2)CCN1c1cccc(Br)c1CBr 2020890315 GXVPAESVTNBAHF-HXUWFJFHSA-N 453.218 5.920 50 10 JKGE C[C@@H](NCCSSCCNC(=O)OC(C)(C)C)c1cc(Br)ccc1F 2061264496 QDZHSMLBIQOFHT-GFCCVEGCSA-N 453.443 5.145 50 10 JKGE C[C@]1(C(F)(F)F)C[C@@H]1[C@@H](Br)c1ccc(Br)cc1Br 2083331449 ZGZUGDNPPHVYDV-MIMYLULJSA-N 450.918 6.236 50 10 JKGE C[C@@H](CCCCCI)NCc1ccc(I)c(Cl)c1 2086661592 NVAZBOIRCFUODT-NSHDSACASA-N 491.582 5.418 50 10 JKGE BrCc1cc(Br)c(OC[C@@H]2CCCCCO2)c(Br)c1 2096332772 JJLNIHPBJRUINO-NSHDSACASA-N 457.000 5.445 50 10 JKGE BrC[C@@]12CCC[C@H]1CN(Cc1ccc(Br)cc1Br)C2 2103172734 PBGDDKVVKNQOSE-SWLSCSKDSA-N 452.028 5.209 50 10 JKGE C[C@H](Cl)c1nc2cc(Br)c(Cl)cc2n1-c1cnn(Cc2ccccc2)c1 2103814673 GHMALPLLQPHHBP-LBPRGKRZSA-N 450.167 5.986 50 10 JKGE CC[C@H](NCCSSCCNC(=O)OC(C)(C)C)c1cc(Br)ccc1O 2125293497 NOXBTZSAPHDUKV-HNNXBMFYSA-N 465.479 5.102 50 10 JKGE COc1cc(F)c([C@H](Br)c2cc(Br)sc2C)cc1Br 2138160034 KQEPICPJHRFUQV-CYBMUJFWSA-N 472.999 6.214 50 10 JKGE Cc1c(Br)ccc([C@@H](Br)C2(CC3CC3)CCC2)c1Br 2138850413 MBUCKBAOKCQNBM-OAHLLOKOSA-N 451.040 6.926 50 10 JKGE Cc1cc(Br)cc([C@@H](Cl)c2ccc(Br)c(C)c2Br)c1 2138861524 HAZJRBIZSIPJFI-OAHLLOKOSA-N 467.426 6.919 50 10 JKGE O=C(N[C@H]1CCCC[C@H]1CCBr)c1ccc(Br)cc1Br 2146720031 QUJBHRSOVSDLBD-HZMBPMFUSA-N 468.027 5.285 50 10 JKGE ClCc1nc2cc(I)ccc2n1[C@H]1C[C@@H]2CC[C@H](C1)N2Cc1ccccc1 2151250009 PGJVSZJFZCLZGG-REPLKXPHSA-N 491.804 5.748 50 10 JKGE ClCCc1nc2cc(I)ccc2n1[C@H]1CCCCN(Cc2ccccc2)C1 2158571823 KBPHQBRWZVUOSO-IBGZPJMESA-N 493.820 5.649 50 10 JKGE CC(C)(C)OC(=O)N[C@H]1CN(CC2(CBr)CCCCC2)CC[C@H]1C(F)(F)F 2163058849 ODVFMDFNVBIRNW-CABCVRRESA-N 457.375 5.109 50 10 JKGE O=C(c1csc(Br)c1Br)N1CCC[C@@H]2CC[C@@H](Br)C[C@@H]21 2167006216 VCMPHLCIJFJYRQ-KKZNHRDASA-N 486.067 5.441 50 10 JKGE COc1ccc(Br)c(CC[C@H](Br)c2cccc(Br)c2)c1 2169798360 CQXOEMNSOGHAGI-HNNXBMFYSA-N 463.007 6.289 50 10 JKGE Cc1cc(Br)c(CBr)c(N2CCc3cccc(Br)c32)c1 2173443507 DIMKDJUUKMSOCL-UHFFFAOYSA-N 460.007 6.109 50 10 JKGE O=C(NCC[C@@H]1CCCC[C@@H]1Br)c1cc(Br)ccc1Br 2179637099 RTVWEJIBDLDXRR-GWCFXTLKSA-N 468.027 5.285 50 10 JKGE CCc1ccccc1[C@H](Br)c1c(C)c(Br)cc(C)c1Br 2201075919 WVAOFLFVFXSMHE-KRWDZBQOSA-N 461.035 6.875 50 10 JKGE CCn1cc(Br)c([C@H](Br)c2cc(Br)cc(Cl)c2OC)n1 2203001130 PGYCCSZWBAPQSP-LLVKDONJSA-N 487.417 5.574 50 10 JKGE Cc1c(Br)ccc([C@@H](Br)[C@H]2CCCC(C)(C)CC2)c1Br 2203681307 AHEUZCYYDLYLLH-LRDDRELGSA-N 467.083 7.563 50 10 JKGE Cc1sc(C(=O)N(Cc2ccccc2)C(C)(C)CBr)c(Br)c1C 2211913076 SUWMEINIXYHWIV-UHFFFAOYSA-N 459.247 5.943 50 10 JKGE Cc1sc([C@H](Cl)c2c(Br)sc(Br)c2Cl)cc1Br 2213746654 NAAANSYKVGZJKV-ZETCQYMHSA-N 499.902 7.387 50 10 JKGE CCC(CBr)(CBr)Cc1c(Br)sc2ccccc12 2217923699 KAFGWEVZYXCGDQ-UHFFFAOYSA-N 455.053 6.393 50 10 JKGE CCOCc1cc(Br)c([C@@H](Br)c2nscc2Br)s1 2217987606 LDVNQSKSWKUHRM-VIFPVBQESA-N 476.053 5.750 50 10 JKGE COc1sc([C@@H](Br)c2sc(C)c(C)c2Br)cc1Br 2221828859 YTWLKSQKOCVKKF-SNVBAGLBSA-N 475.065 6.444 50 10 JKGE CC(C)(F)[C@@](C)(F)[C@@H](Br)c1c(Br)cc(Cl)c(Cl)c1Cl 2224304598 KXIRJYCCBDPIMF-JQWIXIFHSA-N 459.383 7.322 50 10 JKGE COCC1([C@@H](Br)c2c(Br)cc(Cl)c(Cl)c2Cl)CCC1 2224321821 MWKXBBGUCBRXGE-LBPRGKRZSA-N 451.413 6.662 50 10 JKGE CCOCc1cc(Br)c([C@H](Br)c2c(C)nsc2Br)s1 2224774932 RKCRHMKFNYTXQS-SNVBAGLBSA-N 490.080 6.059 50 10 JKGE CCOCc1cc(Br)c([C@H](Br)c2cc(Br)oc2C)s1 2224791398 CGEAYMZQEPTMDN-GFCCVEGCSA-N 473.024 6.195 50 10 JKGE Fc1cc(Br)c(Br)cc1[C@@H](Br)c1cccc(Cl)c1F 2225617378 OJMZJISDCBAJAD-LBPRGKRZSA-N 475.352 6.628 50 10 JKGE Fc1cc(Br)c(Br)cc1[C@@H](Br)[C@@H]1C[C@@H]2CC[C@H](C1)O2 2225620133 QZKGOKUUNHEVFM-KSCJFIISSA-N 456.975 5.744 50 10 JKGE Cc1cc(Br)c([C@H](Br)C2C(C)(C)C2(C)C)c(C)c1Br 2227347706 JSLBNIDXSLVMNQ-ZDUSSCGKSA-N 453.056 6.947 50 10 JKGE CC[C@@H]1OCC[C@H]1[C@@H](Br)c1c(Br)cc(C)c(Br)c1C 2227349360 RJSLZQUSJJJQKJ-IFUGULHKSA-N 455.028 6.080 50 10 JKGE Fc1cc(Br)cc2c1nc(CCCl)n2C[C@@H]1CCN(Cc2ccccc2)C1 2232920467 POKSTFUCXYQSOC-MRXNPFEDSA-N 450.783 5.241 50 10 JKGE Cc1cc(Br)c([C@@H](Br)C2CC3(CCCO3)C2)c(C)c1Br 2235604004 DHYLTZXDPDSQIA-AJQRCPHMSA-N 467.039 6.224 50 10 JKGE Cc1cc(Br)c([C@H](Br)C[C@H]2CCCOCC2)c(C)c1Br 2235613755 ARERTOKICLJQED-GXTWGEPZSA-N 469.055 6.471 50 10 JKGE Cc1cc(Br)c([C@H](Br)C2CC[C@H]3C[C@@H]3CC2)c(C)c1Br 2235613842 BLNMYRTVYOGBIH-GDZNZVCISA-N 465.067 7.091 50 10 JKGE Clc1cc([C@H](Br)c2ccc3c(c2Br)CCO3)ccc1Br 2238081344 FDRDIUDRGGFJDE-AWEZNQCLSA-N 481.409 6.284 50 10 JKGE Cc1cc(Br)c([C@H](Br)c2scc(Br)c2C)c(C)c1F 2264473672 MBKYJDUMTLUOPX-LBPRGKRZSA-N 471.027 6.822 50 10 JKGE Cc1cc(Cl)c(Br)cc1[C@H](Cl)c1c(F)cccc1I 2267745370 WMIYIGJRDPNGAW-AWEZNQCLSA-N 473.938 6.483 50 10 JKGE Cc1cc(F)c(Br)cc1[C@H](Br)Cc1cccc(Br)c1 2270350990 WRDQGJWQOUTTRE-CYBMUJFWSA-N 450.971 6.338 50 10 JKGE C[C@H](Br)CN(Cc1cc(Br)ccc1Br)CC(C)(C)C 2272517876 JVCRSEVYMXUBAW-NSHDSACASA-N 456.060 5.843 50 10 JKGE COc1ccc([C@@H](Cl)c2cc(C)cc(Br)c2F)cc1I 2284995453 ARIOMGRUADLNPK-CQSZACIVSA-N 469.519 5.838 50 10 JKGE CS(=O)(=O)[C@H]1C[C@H]([C@H](Br)c2c(Br)cc(Cl)c(Cl)c2Cl)C1 2285276752 YEQPWJSWIZHUJS-VGIXGZPDSA-N 485.452 5.669 50 10 JKGE N#CC(=Cc1c(OCc2ccc(Br)cc2)ccc2ccccc12)C(=O)NC1CCCCC1 2293370052 IFTFMGIPOXRITQ-UHFFFAOYSA-N 489.413 6.537 50 10 JKGE Cn1cc(Br)c([C@H](Cl)c2ccc(OCc3ccccc3)cc2Br)n1 2299532474 HHLWLUWNZRSMSL-QGZVFWFLSA-N 470.592 5.852 50 10 JKGE CCOc1cc(C=C(C#N)C(=O)Nc2ccccc2C)cc(Cl)c1OCc1ccc(F)cc1 2313541005 JJCGAJHMHJBIPN-UHFFFAOYSA-N 464.924 6.311 50 10 JKGE Cc1cc(Oc2nc3c(C)cccn3c(=O)c2C=C(C#N)c2nc3ccccc3s2)ccc1Cl 2314436958 RUJPLFIDJQJMIJ-UHFFFAOYSA-N 484.968 6.431 50 10 JKGE Brc1ccc(OCc2ccccc2)c([C@@H](Br)[C@@H]2CC[C@H]3C[C@H]3CC2)c1 2314454715 ILMWTCFVIYAZGQ-SUWCGCSTSA-N 464.241 7.290 50 10 JKGE CC(C)C[C@@H](C(C)C)[C@@H](Br)c1ccc(OCc2ccccc2)cc1Br 2314503985 YBVKZJUZZZBYAF-UNMCSNQZSA-N 468.273 7.782 50 10 JKGE CCCOc1ccc(-c2nn(-c3ccccc3)cc2C=C2C(=O)N(CC(C)C)C(=O)C(C#N)=C2C)cc1 2314611320 TVCAPYCQWDGUOY-UHFFFAOYSA-N 494.595 5.576 50 10 JKGE CCOC(=O)c1c(NC(=O)C(C#N)=Cc2ccc(Cl)cc2)sc(C)c1-c1ccc(Cl)cc1 2314753763 DUCNYHRBFJIQRG-UHFFFAOYSA-N 485.392 6.753 50 10 JKGE COC(=O)c1c(-c2ccc3c(c2)CCCC3)csc1NC(=O)C(C#N)=Cc1ccccc1OC 2314792691 CTDMPBCZCRYXRH-UHFFFAOYSA-N 472.566 5.635 50 10 JKGE C[C@]1([C@H](Br)c2sc(Cl)cc2I)CCCC(F)(F)C1 2316597462 RXLBCBRMJNZOBS-MNOVXSKESA-N 469.560 6.658 50 10 JKGE Clc1cc(I)c([C@H](Br)[C@@H]2OC[C@@H]3CCCC[C@H]32)s1 2316597871 XAYDFHCBNXHJSR-JTRYMVSWSA-N 461.590 5.647 50 10 JKGE Cc1cc(Br)c(F)c(Br)c1[C@@H](Cl)c1occc1Br 2317403406 OBCHGKPEKGATQG-SNVBAGLBSA-N 461.350 6.343 50 10 JKGE CC(C)[C@H](Br)C(C)(C)NC(=O)c1scc(Br)c1Br 2318059710 PCOUMHLASCMIRM-JTQLQIEISA-N 462.045 5.201 50 10 JKGE COc1cc(C=C(C#N)c2ccccc2OC)ccc1OC(=O)c1ccc(Br)cc1 2320506176 DFBFUOQSBDIXFO-UHFFFAOYSA-N 464.315 5.750 50 10 JKGE COc1ccc([C@@H](C)NC(=O)C(C#N)=CNc2cc(C(F)(F)F)cc(C(F)(F)F)c2)cc1 2325063173 KZWAATQCUPBFLT-GFCCVEGCSA-N 457.374 5.430 50 10 JKGE CCc1cccc(CC)c1NC(=O)C(C#N)=CNc1cc(C(F)(F)F)cc(C(F)(F)F)c1 2325126749 WEYKQDGVESPDHG-UHFFFAOYSA-N 455.402 6.307 50 10 JKGE BrCCC[C@@H]1CCCN1Cc1ccc(I)c(Br)c1 2325208741 XUCNFLWWTVZVHC-GFCCVEGCSA-N 487.017 5.193 50 10 JKGE CC[C@H](C)N1C(=O)c2ccc(C(O)=C(C#N)c3nc(-c4ccc(OC)c(OC)c4)cs3)cc2C1=O 2331242367 UHBKNRYHWCHFNN-AWEZNQCLSA-N 489.553 5.172 50 10 JKGE CCCCCCCOc1ccc(-c2csc(C(C#N)=C(O)c3ccc4cc[nH]c4c3)n2)cc1 2331345301 CNAQZAWZSOKUPA-UHFFFAOYSA-N 457.599 7.590 50 10 JKGE COc1ccc(C(C)(C)C)cc1-c1csc(C(C#N)=C(O)COc2ccc(Cl)cc2)n1 2331350642 IZLITQBLUOJMKR-UHFFFAOYSA-N 454.979 6.641 50 10 JKGE CCCOc1ccc(CC(O)=C(C#N)c2nc(-c3cc(OC)c(Cl)cc3OC)cs2)cc1 2331377167 SCIPOAOWYVUANQ-UHFFFAOYSA-N 470.978 6.305 50 10 JKGE Cc1ccc(-c2csc(C(C#N)=C(O)Cc3ccc(OCc4ccccc4)cc3)n2)cc1C 2331382181 GNPRRAAZTYGRCE-UHFFFAOYSA-N 452.579 7.041 50 10 JKGE COc1ccc(-c2csc(C(C#N)=C(O)c3ccc4c(c3)C(=O)N(C(C)C)C4=O)n2)cc1Cl 2331398261 ZIPKLFCVRRBODX-UHFFFAOYSA-N 479.945 5.426 50 10 JKGE COc1ccc(OCCCC(O)=C(C#N)c2nc(-c3ccc(OC)c(Cl)c3)cs2)cc1 2331398327 HVHORKKSUNUAGK-UHFFFAOYSA-N 456.951 6.133 50 10 JKGE COc1ccc(OCCCC(O)=C(C#N)c2nc(-c3cc(Cl)ccc3OC)cs2)cc1 2331411112 PGAJXYLYVNGTTB-UHFFFAOYSA-N 456.951 6.133 50 10 JKGE Cn1nc(Br)c([C@@H](Cl)c2c(F)cc(Cl)c(Br)c2Cl)n1 2335362350 ZFBPDJJWXFEEHH-QMMMGPOBSA-N 452.336 5.114 50 10 JKGE Cc1cc(F)c(Br)cc1[C@H](Cl)c1ccc(OCc2ccccc2)cc1Br 2336047496 MJASOUVKQYOSTK-OAQYLSRUSA-N 498.617 7.566 50 10 JKGE Brc1cc([C@H](Br)c2cnsc2Br)cc2c1OCCC2 2337305515 HYNBTUVWYQZPEE-NSHDSACASA-N 468.008 5.477 50 10 JKGE CC(C)(C)[C@@H]1C[C@H](CBr)CN(Cc2sccc2I)C1 2338753403 WKWLPHUSQANOKT-VXGBXAGGSA-N 456.231 5.232 50 10 JKGE Cc1cc(Br)c(F)c(Br)c1[C@@H](Cl)c1cccc(Br)c1 2339681520 JCADHWBQFWDBNH-ZDUSSCGKSA-N 471.389 6.750 50 10 JKGE Cc1cc(Br)c(F)c(Br)c1[C@@H](Br)[C@H]1[C@H]2CCCC[C@H]21 2339686885 PDBJQITUZXQWGQ-OTMMVIPVSA-N 455.003 6.531 50 10 JKGE COc1c(Br)cc(C)c([C@@H](Br)c2csc(Cl)c2)c1Br 2339690865 LIDSUOGZLDHDLE-NSHDSACASA-N 489.454 6.728 50 10 JKGE Cc1cc(F)cc(C)c1[C@@H](Br)c1ccc(Cl)cc1I 2340061434 NWTAMOFLOFOTKQ-HNNXBMFYSA-N 453.520 6.185 50 10 JKGE Cc1cc(Br)c(F)c(Br)c1[C@H](Cl)c1csc(C)c1Br 2343461994 YLVCLJUXQNJMSK-GFCCVEGCSA-N 491.445 7.120 50 10 JKGE Brc1cc(OCc2ccccc2)ccc1[C@H](Br)[C@@H]1CCC[C@H]2CCCC[C@H]21 2361196112 VASUXIRFRBUQJL-UMCMBGNQSA-N 492.295 8.071 50 10 JKGE Cc1cc(Br)c([C@H](Br)[C@@H]2C[C@H]3CCC[C@H]2CC3)cc1Br 2364132083 FOSVCQKGQXUCPL-APNQJHFZSA-N 465.067 7.172 50 10 JKGE COc1ccc(C[C@H](Cl)c2ccc(Br)cc2Br)c(Br)c1 2364261798 UGPCQEGOPYSPCA-HNNXBMFYSA-N 483.425 6.505 50 10 JKGE COc1c(Br)cc(C)c([C@@H](Br)C[C@H]2CC[C@@H]3C[C@H]23)c1Br 2365192741 XCPRQIAJHNYOQV-WYUUTHIRSA-N 467.039 6.401 50 10 JKGE CC(C)n1ncc(Br)c1C[C@H](CBr)c1ccccc1Br 2368178239 ZIDQCSZXPXOYAV-LLVKDONJSA-N 465.027 5.710 50 10 JKGE COc1ccc(/C(C#N)=C\c2ccc(OC(=O)COc3cccc(C)c3C)c(OC)c2)cc1OC 31902079 YYEJWHPDRUATRE-XKZIYDEJSA-N 473.525 5.378 50 10 JKGE CCCOc1ccc(/C=C(\C#N)C(=O)Nc2sc(-c3ccccc3)cc2C(=O)OCC)cc1 33346574 XREPXYLCGOACLE-HMMYKYKNSA-N 460.555 5.926 50 10 JKGE CCCOc1ccccc1/C=C(/C#N)C(=O)Nc1ncc(Cc2ccc(C)c(Cl)c2)s1 33579860 MQJSGSYJLBCUKS-UYRXBGFRSA-N 451.979 6.030 50 10 JKGE Cc1ccc(C(C)C)c(Oc2nc3ccccn3c(=O)c2/C=C(/C#N)S(=O)(=O)c2ccccc2)c1 34808473 MTYVBPQGYSAZHE-PGMHBOJBSA-N 485.565 5.257 50 10 JKGE COc1cc(/C=C(/C#N)c2nc(-c3ccccc3)cs2)ccc1OCC(=O)Nc1nccs1 35520004 ITYZVAJNWBPIOD-WQRHYEAKSA-N 474.567 5.357 50 10 JKGE CCOc1ccccc1[C@H]1C(C#N)=C(N)Oc2cc(OC(=O)c3oc4ccc(CC)cc4c3C)ccc21 40530377 AJVPNBZTXONXLK-HHHXNRCGSA-N 494.547 6.140 50 10 JKGE COc1cc(/C=N/NC(=O)c2ccc(C(C)(C)C)cc2)ccc1OC(=O)c1ccc(Cl)c(Cl)c1 48572571 RNMCXZCFEYNBRU-WKULSOCRSA-N 499.394 6.283 50 10 JKGE C=CCOc1ccc(/C=N/NC(=O)c2ccc(OCc3ccc(Cl)cc3Cl)cc2)cc1 48572864 XIGVVDSEECJZNM-JFLMPSFJSA-N 455.341 5.901 50 10 JKGE CCOc1ccccc1NC(=O)N/N=C/c1cc(C)n(-c2ccc(C(=O)O)c(Cl)c2)c1C 59248409 BLIFCRISFARGAI-DHRITJCHSA-N 454.914 5.000 50 10 JKGE CC1=C(C#N)C(=O)N(CCc2ccccc2)C(=O)/C1=C/c1ccc(OCc2ccccc2F)cc1 101338280 WTZIPNHIIRHURX-KOEQRZSOSA-N 466.512 5.240 50 10 JKGE N#C/C(=C(\S)NC(=O)c1ccccc1)[P+](c1ccccc1)(c1ccccc1)c1ccccc1 102109125 MVGDJVLLDNECLR-BYCLXTJYSA-O 465.538 5.033 50 10 JKGE CCOC(=O)c1c(N/C=C(\C#N)c2nc(-c3ccc([N+](=O)[O-])cc3)cs2)sc2c1CCCC2 102455397 BPBURMLTFFNIJY-NTCAYCPXSA-N 480.571 5.812 50 10 JKGE O=C1CCCc2cc([C@@H](Br)c3ccc(I)cc3)ccc2N1 109870287 GPVNABKGUFDSTM-KRWDZBQOSA-N 456.121 5.050 50 10 JKGE COc1c(Br)cc(Cl)cc1[C@H](Cl)c1csc(I)c1 124380785 LZASIOUBZJCQKC-LLVKDONJSA-N 477.976 6.105 50 10 JKGE Brc1cc([C@@H](Br)c2cc3c(s2)CCC3)sc1Br 128286572 ZXZTXVTWIFZTBW-NSHDSACASA-N 457.050 6.308 50 10 JKGE COc1ccc(Br)cc1[C@H](Br)c1ccc(Br)c(Cl)c1 148956826 IYCQPYRYPIERAB-CQSZACIVSA-N 469.398 6.358 50 10 JKGE C[C@H]1CCC[C@@](CBr)(NC(=O)c2cc(Br)ccc2Br)C1 161224545 CTPIKBZHEBAMKY-ZUZCIYMTSA-N 468.027 5.285 50 10 JKGE CC(C)(C)[Si](C)(C)Oc1ccc(SSc2ccc(O[Si](C)(C)C(C)(C)C)cc2)cc1 195813694 YUVRIDHLNJNRJE-UHFFFAOYSA-N 478.872 9.254 50 10 JKGE Nc1ccc(Oc2ccc(P(c3ccccc3)c3ccc(Oc4ccc(N)cc4)cc3)cc2)cc1 199519467 SEZHCYXOUUNQJH-UHFFFAOYSA-N 476.516 6.194 50 10 JKGE CCCOc1ccccc1/C=C(/C#N)C(=O)Nc1sc(C)c(-c2ccccc2)c1C(=O)OCC 206986770 KIDAVJSHYWVLBF-PGMHBOJBSA-N 474.582 6.235 50 10 JKGE CN(c1cc(Cl)c(C(F)(F)F)cc1[N+](=O)[O-])N(C(N)=O)C(=O)c1c(Cl)cccc1Cl 211790808 GHTMBPIWUSCNTI-UHFFFAOYSA-N 485.633 5.146 50 10 JKGE N#C/C(=C/Nc1cc(C(F)(F)F)cc(C(F)(F)F)c1)C(=O)Nc1ccccc1C(F)(F)F 217062571 FXGSAFJKORODOP-KTKRTIGZSA-N 467.291 6.201 50 10 JKGE Cc1ccc2nc(-c3ccc(N/C=C(/C#N)C(=O)Nc4ccc(N)c(Cl)c4)cc3)sc2c1 217253054 WFRSNMFWRDMXEI-SSZFMOIBSA-N 459.962 5.965 50 10 JKGE CC12C[C@@H]3C[C@H](C1)CC([C@@H](Br)c1cc(Br)sc1Br)(C3)C2 228384362 HPQGGVWENSJBAL-GFXGFFCFSA-N 483.107 7.316 50 10 JKGE Brc1ccc(I)cc1[C@@H](Br)c1cccs1 232483386 ZAWRPWGOUIKFNT-LLVKDONJSA-N 457.956 5.600 50 10 JKGE Cc1cc(C)c(C)c([C@@H](Br)c2cc(Cl)ccc2I)c1C 235818710 CHSTVVMXUOSJBR-KRWDZBQOSA-N 463.584 6.663 50 10 JKGE Fc1cc(Br)c(Cl)cc1[C@@H](Br)c1ccc(Cl)cc1Br 236226651 TUVFHNIXUISYHL-ZDUSSCGKSA-N 491.807 7.142 50 10 JKGE Brc1cc([C@H](Br)[C@@H]2C[C@H]2c2ccccc2)sc1Br 250797875 CDVKPLVVYWAMGP-OPQQBVKSSA-N 451.021 6.513 50 10 JKGE COc1cc(C=NNC(=O)c2cc3c(ccc4ccccc43)o2)c([N+](=O)[O-])cc1OCc1ccccc1 252589364 AJTBGQXVMANOHW-UHFFFAOYSA-N 495.491 5.846 50 10 JKGE COc1cc(C=NNC(=O)c2ccccc2-n2cccc2)ccc1OCc1ccccc1Cl 252617350 KQYFFTOKPJEUAO-UHFFFAOYSA-N 459.933 5.482 50 10 JKGE CCCCCCCc1ccc(C(=O)Oc2ccc(C=NNC(=O)c3ccc(F)cc3)c(O)c2)cc1 254297343 QGOIVGPZIZGOHI-UHFFFAOYSA-N 476.548 6.027 50 10 JKGE CCCOc1ccc(/C=C(/NC(=O)c2ccccc2)C(=O)NN=Cc2c(O)ccc3ccccc23)cc1 254544583 YYNLOBNDKLBVJP-PQGZKPSZSA-N 493.563 5.255 50 10 JKGE 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@]12C)C(C)C 254622688 FOQAJGFTDYXPDS-UDOBLITPSA-N 475.157 9.184 50 10 JKGE COc1cccc(C=NNC(=O)CSc2nc3ccccc3o2)c1OCc1cccc2ccccc12 254658095 LVZQTUCAPXZPJB-UHFFFAOYSA-N 497.576 5.811 50 10 JKGE Brc1cc2c(cc1[C@H](Br)c1cccc(I)c1)CCO2 308411680 GERCCYFSLGHRCV-OAHLLOKOSA-N 493.964 5.473 50 10 JKGE Cc1cc(Br)c([C@@H](Cl)c2ccc(OCc3ccccc3)cc2)cc1Br 311129099 IVYLKDZWPUECOQ-NRFANRHFSA-N 480.627 7.427 50 10 JKGE FC(F)(F)c1csc([C@H](Br)c2cc(Cl)cc(Cl)c2)c1Br 312354126 IYOHKIRGCWDGNE-SECBINFHSA-N 468.947 7.321 50 10 JKGE CC(C)(C)CCOCOc1c(Br)cc(CBr)cc1Br 328079848 GLYAIAFBRLLOPK-UHFFFAOYSA-N 459.016 5.896 50 10 JKGE Fc1ccc([C@H](Cl)c2scc(C(F)(F)F)c2Br)cc1Br 380478964 KNOAAZUJPNBMFQ-JTQLQIEISA-N 452.492 6.759 50 10 JKGE CC(C)(C)OC(=O)N1C[C@H](c2ccc(Br)cc2Cl)[C@@H](CBr)C1 382704236 DUTAEHYUJIKUOH-GWCFXTLKSA-N 453.602 5.448 50 10 JKGE CC(C)(C)OC(=O)N1C[C@@H](CI)[C@H](c2cc(Cl)ccc2Cl)C1 382720305 MZSGXWJYKRCHDJ-ZWNOBZJWSA-N 456.151 5.379 50 10 JKGE C[C@@H](Cl)c1nc2cc(I)c(F)cc2n1Cc1cnn(Cc2ccccc2)c1 390449895 WATHNJVVVLBZOV-CYBMUJFWSA-N 494.739 5.373 50 10 JKGE CC(C)(C)OC(=O)NCCN1c2ccccc2CC[C@H]1c1cccc(CO[Si](C)(C)C(C)(C)C)c1 616596440 UXBCBGKBQNRSFS-SANMLTNESA-N 496.768 7.227 50 10 JKGE C[C@@]12CN(Cc3ccccc3)C[C@@H]1CN(c1cccc(Br)c1CBr)C2 702109284 PYSNJMWZNIUWQW-UTKZUKDTSA-N 464.245 5.302 50 10 JKGE Fc1ccc(COc2cccc(Br)c2CBr)cc1Br 706818779 XULMLTPDFWGTDF-UHFFFAOYSA-N 452.943 5.825 50 10 JKGE Cc1ccc([C@H](Br)c2ccc(I)cc2)c(C)c1Br 719584631 TUGOBASPASWUKG-OAHLLOKOSA-N 479.981 6.155 50 10 JKGE Cc1cc([C@@H](Cl)c2ccc(I)c(Br)c2)sc1Cl 721587783 MGNKRTXRRAQARV-NSHDSACASA-N 461.977 6.405 50 10 JKGE Fc1ccc([C@H](Br)c2cccc(F)c2I)cc1Br 721677807 HYFYGDVKGSCZMX-LBPRGKRZSA-N 487.907 5.816 50 10 JKGE CC(C)(C)[Si](C)(C)OCC(CO[Si](C)(C)C(C)(C)C)NC(=O)c1cnccc1Cl 725275379 ANFIWHIMXUEOQI-UHFFFAOYSA-N 459.179 5.877 50 10 JKGE Cc1cccc(C(=O)Nc2ccc(C(=O)NN=Cc3cc(Cl)cc(Br)c3O)cc2)c1 1081168719 TXJBEJUKWMXLDB-UHFFFAOYSA-N 486.753 5.133 50 10 JKGE N#C/C(=C\c1cc(Cl)c(OCc2ccccc2)c(Cl)c1)C(=O)N1CCN(c2ccccc2)CC1 1084059894 ONDMRUAAPFRBLK-PXLXIMEGSA-N 492.406 5.828 50 10 JKGE CC(C)COc1ccc(C=NNC(=O)c2ccc(CSc3ccc(Cl)cc3)cc2)cc1 1084237126 JQANJZFHHSIMLR-UHFFFAOYSA-N 453.007 6.431 50 10 JKGE COc1cc(/C=C(\C#N)C(=O)Nc2cccc(Cl)c2Cl)c(Br)cc1OC(C)=O 1084398592 BFGCGYYTNYYLCO-WUXMJOGZSA-N 484.133 5.235 50 10 JKGE C=CCOc1ccc(/C=C(\C#N)C(=O)Nc2cccc(Cl)c2Cl)cc1Br 1084423231 RGENBAYZMWINFY-UKTHLTGXSA-N 452.135 5.866 50 10 JKGE Cc1nn(Cc2ccccc2Cl)c(C)c1C=NNC(=O)CSCc1ccc(Cl)cc1 1084509577 AQYFZHLOLDDFBF-UHFFFAOYSA-N 461.418 5.239 50 10 JKGE CC(C)OP(=O)(COC1(CO[Si](c2ccccc2)(c2ccccc2)C(C)C)CC1)OC(C)C 1307209412 UJISUBFCTULKAZ-UHFFFAOYSA-N 490.653 5.723 50 10 JKGE CCCCCCOc1ccc([C@@H]2CN(C(=O)OCc3ccccc3)C[C@@H]2CBr)cc1 1614613849 BLZXAOPXGCXKRJ-UPVQGACJSA-N 474.439 6.393 50 10 JKGE N#CC1=C(N)Oc2c(c(C(F)(F)F)nn2-c2cccc3ccccc23)[C@H]1c1c(F)cccc1Cl 1865685060 DHACXALGIVJDOW-GOSISDBHSA-N 484.840 6.055 50 10 JKGE CCCCOc1ccc([C@H]2C(C#N)=C(N)Oc3c2c(CCC)nn3Cc2cc(C)ccc2C)cc1 1865692088 IVSVESVFUDXPCD-SANMLTNESA-N 470.617 5.898 50 10 JKGE CCCc1nn(-c2ccccc2)c2c1[C@H](c1ccc(OCc3ccc(Cl)cc3)cc1)C(C#N)=C(N)O2 1865695905 VMFLZFUFHSLSPV-AREMUKBSSA-N 496.998 6.275 50 10 JKGE CCn1nc(C)c2c1OC(N)=C(C#N)[C@H]2c1ccc(OCc2ccc(Cl)cc2Cl)cc1 1865701115 MIATUGYTNUOUIL-OAQYLSRUSA-N 455.345 5.315 50 10 JKGE C[C@@H](CC(=O)N[C@H](Cc1ccc(O)cc1)C(=O)Nc1ccc(SC#N)cc1)c1cccc(Cl)c1 1867173308 BVVBFSAZXCPERF-BXKMTCNYSA-N 494.016 5.479 50 10 JKGE CC(C)C[C@H](C(=O)NC(C)(C)C(=O)Nc1ccc(SC#N)cc1)c1cccc(Br)c1 1867201713 HSJMIKAENUTLCD-FQEVSTJZSA-N 488.451 5.685 50 10 JKGE CC(C)(C)c1ccc(-c2ccc(OCC(=O)NCC(=O)Nc3ccc(SC#N)cc3)cc2)cc1 1868154501 YKIFCHXETTYDGI-UHFFFAOYSA-N 473.598 5.358 50 10 JKGE N#C/C(=C\c1cc(Br)ccc1OCc1ccc(Cl)c(Cl)c1)c1cccs1 1872729430 JOUIGZPYQAMGLW-OQLLNIDSSA-N 465.199 7.461 50 10 JKGE N#C/C(=C(/O)c1ccc(N2C(=O)c3ccccc3C2=O)cc1)c1nc(-c2ccc(F)c(F)c2)cs1 1872751567 NLEPXCLSSAXACG-NMWGTECJSA-N 485.471 5.839 50 10 JKGE C[C@H]1C[C@@H]1[C@H](Br)c1c(Br)sc(Br)c1Br 1897840002 DYYHSGDMMNENJJ-FKZODXBYSA-N 467.846 6.128 50 10 JKGE CCC[C@@H](CBr)COc1cc(Br)cc(I)c1 1900985186 IRDDMPLJGPDRFM-VIFPVBQESA-N 461.963 5.244 50 10 JKGE C[C@@H](CCBr)N(Cc1ccccc1)C(=O)c1c(F)cc(Br)cc1F 1915082941 SSIDVIJDCROZJJ-LBPRGKRZSA-N 461.144 5.543 50 10 JKGE CC[C@@H](Br)CN(Cc1ccccc1)c1ncc(Br)cc1Br 1915099396 SPWZZEXYDWUYPV-CYBMUJFWSA-N 477.038 5.787 50 10 JKGE CC(C)[C@H](CBr)N(Cc1ccccc1)S(=O)(=O)c1ccccc1Br 1915291824 SHAKNGJADVAVGT-KRWDZBQOSA-N 475.246 5.060 50 10 JKGE CC(C)[C@H](CBr)N(Cc1ccccc1)C(=O)COc1ccc(Cl)cc1Cl 1915297670 JSRVQDZFKCDVJW-SFHVURJKSA-N 459.211 5.821 50 10 JKGE COCC1([C@@H](Cl)c2c(Br)sc(Br)c2Cl)CCCCC1 1923038942 LXGHLBVFOANRMG-JTQLQIEISA-N 451.051 6.803 50 10 JKGE Clc1c(Br)sc(Br)c1[C@H](Cl)c1cc2sccc2s1 1923041096 YQUPCQWYIFIHLE-MRVPVSSYSA-N 463.068 7.531 50 10 JKGE FC(F)CC1([C@H](Cl)c2c(Br)sc(Br)c2Br)CCC1 1924571121 OVAOSZOKUFFBDL-MRVPVSSYSA-N 487.429 7.141 50 10 JKGE CCC[C@H](C(C)C)[C@@H](Cl)c1c(Br)sc(Br)c1Br 1924615023 VKTLKXFEPUJZGH-GMSGAONNSA-N 467.492 7.388 50 10 JKGE FC1CC([C@H](Br)c2c(Br)sc(Br)c2Br)C1 1924615670 DZLRTGOUBYHSGU-DGZDMUDUSA-N 485.836 6.220 50 10 JKGE Brc1cc([C@H](Br)c2csnc2Br)c(Br)s1 1925226254 RPRLOXHGVLNBCB-LURJTMIESA-N 496.869 5.976 50 10 JKGE Clc1cc(Br)cc([C@@H](Br)c2c(Cl)sc(Cl)c2Cl)c1 1925590661 YYOYEKHLIFNBLJ-MRVPVSSYSA-N 469.840 7.609 50 10 JKGE Clc1sc(Br)c(Cl)c1[C@H](Br)c1nscc1Br 1925617650 JHARZEHGHDHENZ-BYPYZUCNSA-N 486.863 6.521 50 10 JKGE COc1sc([C@@H](Br)c2ccc(I)cc2)cc1Br 1946721767 QQZUXGGWMWBKRN-NSHDSACASA-N 487.982 5.608 50 10 JKGE BrCc1ccc(N2C[C@H]3C[C@H]2CN(Cc2ccccc2)C3)cc1Br 1997909856 JLTFIOXUDCYOGB-LPHOPBHVSA-N 450.218 5.055 50 10 JKGE Cc1c(Cl)cc(CN(Cc2ccccc2)[C@H](CBr)C2CC2)cc1Br 2002242380 NFKZBWASTXBIEX-HXUWFJFHSA-N 471.664 6.587 50 10 JKGE CCc1cc(Br)c([C@@H](Br)c2cccc(F)c2Br)s1 2029233307 RJXJBJLPBWXAOO-LBPRGKRZSA-N 457.000 6.459 50 10 JKGE Cc1sc(Br)c([C@H](Br)Cc2ccncc2Br)c1C 2039499232 QNRXTLCPIFXQDP-SNVBAGLBSA-N 454.025 5.964 50 10 JKGE CC1(C)OB(C2=CN([C@H]3CC[C@H](O[Si](C)(C)C(C)(C)C)CC3)[C@@H](Cl)NC2=N)OC1(C)C 2059083061 JUAZIDCEPADOQH-BXWFABGCSA-N 469.939 5.240 50 10 JKGE Cl[C@@H](c1c(Br)sc(Br)c1Br)[C@@H]1C[C@@H]2CCC[C@@H]2C1 2063506770 BLAXPQVKJWVJEX-OFHVYEONSA-N 477.487 7.142 50 10 JKGE Clc1ccc(Br)cc1[C@H](Cl)c1ccc(Br)cc1Br 2083331441 ZGKOWLJDBRFQLX-CYBMUJFWSA-N 473.817 6.956 50 10 JKGE FC1(F)C[C@]12CC[C@@H]([C@H](Br)c1c(Br)sc(Br)c1Cl)C2 2099915931 PKTHQFRVTGNXSR-RFXQIHQISA-N 499.440 7.188 50 10 JKGE FC1(F)CCC[C@@H]2[C@H]([C@@H](Br)c3c(Br)sc(Br)c3Cl)[C@H]21 2114391290 FSMRDGZWWJCEQU-HETMPLHPSA-N 499.440 7.044 50 10 JKGE Cc1cc(Br)c(CBr)c(N2C[C@@H]3CN(Cc4ccccc4)C[C@@]3(C)C2)c1 2116803571 HGRBVZGKSIVOFQ-AVRDEDQJSA-N 478.272 5.611 50 10 JKGE Cn1ncc2cc([C@H](Br)c3c(Cl)sc(Br)c3Cl)sc21 2118610185 DSWALNMYBZCLSC-ZETCQYMHSA-N 461.031 6.250 50 10 JKGE O=C(N[C@H](CBr)c1cccs1)c1ccc(Br)cc1Br 2119039675 PQHBONRFEMUCKC-LLVKDONJSA-N 468.008 5.139 50 10 JKGE O=C(c1cc(Br)sc1Br)N1[C@H]2CC[C@@H]1C[C@H](CBr)C2 2128154371 LWJRCWHCFATUEZ-AYMMMOKOSA-N 472.040 5.051 50 10 JKGE CCC12COC([C@@H](Br)c3ccc(Br)c(C)c3Br)(C1)C2 2140283215 CFBPBEKCYOREPI-NFOMZHRRSA-N 453.012 5.915 50 10 JKGE O=[N+]([O-])c1ccccc1C[C@@H](Br)c1cccc(Br)c1Br 2148761791 SDLIKLQNQUHSHO-GFCCVEGCSA-N 463.951 5.799 50 10 JKGE FC(F)(F)[C@@H]1CN(c2c(CBr)ccc(Br)c2Cl)CCS1 2154374952 BEBFPAGIKWKRSP-VIFPVBQESA-N 453.549 5.482 50 10 JKGE FC1(F)CCC2(CC1)C[C@H]2[C@H](Cl)c1c(Br)sc(Br)c1Cl 2163395863 JYHQIFSPEYBHOH-XPUUQOCRSA-N 469.016 7.422 50 10 JKGE FC1(F)[C@H]2CC(COc3c(Br)cc(CBr)cc3Br)C[C@@H]21 2164326588 HOLJXQOEDQCSAQ-UWVGGRQHSA-N 474.965 5.777 50 10 JKGE Cc1cc(Br)c(CBr)c(N2CCC[C@@]3(CCN(Cc4ccccc4)C3)C2)c1 2173451767 YZSJYTFFGCDCDR-QHCPKHFHSA-N 492.299 6.145 50 10 JKGE COC[C@H]1CC[C@H](COc2c(Br)cc(CBr)cc2Br)C1 2181928137 XQPASDUFLBTUPL-QWRGUYRKSA-N 471.027 5.548 50 10 JKGE CCCC1CCC([C@@H](Br)c2cc(Br)c(C)cc2Br)CC1 2192869262 KNFWNGPMWSRDOV-QWQCLYJRSA-N 467.083 7.563 50 10 JKGE BrCc1cc(Br)c(OC[C@H]2C[C@H]2C2CCCC2)c(Br)c1 2200391226 PSBBUDMQFGNYHR-OLZOCXBDSA-N 467.039 6.312 50 10 JKGE C[C@@](CI)(OCc1cc(Cl)ccc1Br)c1ccccc1 2200752338 NGGPINMXEVQOPH-INIZCTEOSA-N 465.556 5.970 50 10 JKGE Cc1cc(Br)c(C)c([C@@H](Br)[C@@]23CCC[C@@H](C2)OC3)c1Br 2201068325 QDQVIKBFTGCOOI-XZJROXQQSA-N 467.039 6.224 50 10 JKGE Cc1cc([C@@H](Br)c2ccc(Br)c(C)c2Br)cc(C)c1F 2203688776 VSDXZENXFFYNCQ-OAHLLOKOSA-N 464.998 6.760 50 10 JKGE CN(Cc1ccc(I)c(Cl)c1)C[C@@H](Br)C1CCCCC1 2208035366 DNFFOVMTBRCJIX-CQSZACIVSA-N 470.620 5.720 50 10 JKGE Cc1sc(Br)c(C)c1[C@@H](Br)c1csc(I)c1 2210562940 XURXXCPXVCPRGW-JTQLQIEISA-N 492.039 6.278 50 10 JKGE Cc1nn(C)c([C@H](Br)c2c(C)sc(Br)c2C)c1Br 2218804202 XXSRWPOZSBSYNF-SNVBAGLBSA-N 457.029 5.416 50 10 JKGE Cc1cc(Br)c([C@H](Cl)c2ccc(Br)o2)c(C)c1Br 2220156261 OHGALZRHQYNOEJ-CYBMUJFWSA-N 457.387 6.512 50 10 JKGE Cc1ccc([C@@H](Br)Cc2cccc(Cl)c2F)cc1I 2224631668 TZRQIRZIMVADBJ-LBPRGKRZSA-N 453.520 6.071 50 10 JKGE Fc1cc(Br)c(Br)cc1[C@H](Br)C[C@H]1C[C@H]1C(F)(F)F 2225616423 FWSYQLCZLOQLTK-LPBLVHEISA-N 468.908 6.375 50 10 JKGE Fc1ccc([C@H](Br)c2c(Br)cccc2Br)c(F)c1F 2225918097 CNMNBXSSNMWHFA-NSHDSACASA-N 458.897 6.113 50 10 JKGE Cc1cc(Br)c([C@H](Br)CCC2CCCCC2)c(C)c1Br 2235604867 PNNOZDKPJRCJIL-CQSZACIVSA-N 467.083 7.625 50 10 JKGE Cc1sc([C@H](Br)c2cscc2OCc2ccccc2)c(Br)c1C 2242633113 YZXJPKUSYOZTQL-QGZVFWFLSA-N 472.267 7.252 50 10 JKGE CCc1sc(Br)cc1[C@H](Br)c1cc(F)c(Br)cc1Cl 2267749848 PNLXZCXLLNJOPK-CYBMUJFWSA-N 491.445 7.112 50 10 JKGE Fc1cc(F)c([C@H](Br)c2ccc(Cl)c(I)c2)cc1F 2268281770 XYXRLUPFANPMQE-CYBMUJFWSA-N 461.446 5.846 50 10 JKGE Fc1ccc([C@H](Br)c2ccc(C3CCC3)s2)c(I)c1 2271973943 YECVKQCGKJVUGW-HNNXBMFYSA-N 451.142 6.244 50 10 JKGE Cn1nc([C@H](Cl)Cc2cc(Br)cc(Br)c2)c(Br)c1Cl 2277960657 KHGUTBPOACZLHJ-SECBINFHSA-N 491.836 5.884 50 10 JKGE CN(C(=O)c1ccc(Cl)c(I)c1)C1(CBr)CCCCC1 2283654047 ACKRVWRYXFVYJO-UHFFFAOYSA-N 470.576 5.114 50 10 JKGE BrC[C@H](CCc1ccccc1)Cc1cccc(Br)c1Br 2286738460 WCBPOQGKSNBIEO-CQSZACIVSA-N 461.035 6.398 50 10 JKGE Fc1cc(Br)c(F)c(Br)c1[C@H](Br)[C@H]1CC2CCC1CC2 2288374586 VBWOHJYYPKQTAM-UATKWWGBSA-N 472.993 6.752 50 10 JKGE Fc1cc(Br)c(F)c(Br)c1[C@@H](Br)C1(CC(F)F)CCC1 2288498072 BTJXMLCTGLLMFW-GFCCVEGCSA-N 482.935 6.751 50 10 JKGE Cc1cc(Br)c(CBr)c(OCc2cc(Br)ccc2Cl)c1 2295171798 OIQDSQZTXSLZNA-UHFFFAOYSA-N 483.425 6.647 50 10 JKGE Cc1cc([C@H](Br)Cc2cc(Br)cc(Br)c2)c(C)cc1Cl 2295275855 ZEGWGTWOCXRNDM-OAHLLOKOSA-N 481.453 7.161 50 10 JKGE COCc1ccc([C@@H](Br)Cc2cc(Br)cc(Br)c2)cc1 2295333016 DWBAILTVZGGXHU-INIZCTEOSA-N 463.007 6.037 50 10 JKGE C[C@H](NC(=O)C(C#N)=Cc1cn(Cc2cccc(C(F)(F)F)c2)c2ccccc12)c1ccccc1 2295672296 KJCKRSUBGNLGDM-IBGZPJMESA-N 473.498 6.493 50 10 JKGE N#CC(C(=O)NCc1ccco1)=C1S[C@@H](Cc2cc(Cl)ccc2Cl)C(=O)N1c1ccccc1 2296834864 UOLHEUCAQYTLRO-NRFANRHFSA-N 498.391 5.329 50 10 JKGE Cn1ncc(Br)c1[C@H](Cl)c1ccc(OCc2ccccc2)cc1Br 2299503024 BKAPGKVUNKAMGT-QGZVFWFLSA-N 470.592 5.852 50 10 JKGE CC1(C)C([C@@H](Br)c2ccc(OCc3ccccc3)cc2Br)C1(C)C 2299529916 HDNUPNANBRQAJT-SFHVURJKSA-N 452.230 7.146 50 10 JKGE Cc1c(C(=O)O)cccc1-n1c(C)cc(C=C(C#N)C(=O)Nc2cccc(Cl)c2Cl)c1C 2313570773 FXWXPBMPZYXZBA-UHFFFAOYSA-N 468.340 5.953 50 10 JKGE C=CCOc1ccc(-n2c(C)cc(C=C(C#N)C(=O)Nc3cccc(Cl)c3Cl)c2C)cc1 2313571468 XBYLDXOWQFENLP-UHFFFAOYSA-N 466.368 6.511 50 10 JKGE CCOc1cc(Br)c(C=C(C#N)C(=O)Nc2ccc(Cl)c(Cl)c2)cc1OC 2313631199 LYLJTLXFYPWLTL-UHFFFAOYSA-N 470.150 5.709 50 10 JKGE Brc1cc(OCc2ccccc2)ccc1[C@@H](Br)[C@@H]1OC[C@@H]2CCC[C@@H]21 2314444292 MZJGFFYMYLWURQ-YHEJVBIMSA-N 466.213 6.279 50 10 JKGE Cc1cccc(C[C@H](Br)c2ccc(OCc3ccccc3)cc2Br)c1 2314448133 FHQJKPPVADHMTE-NRFANRHFSA-N 460.209 7.015 50 10 JKGE CS(=O)(=O)C1([C@@H](Br)c2cc(Br)ccc2OCc2ccccc2)CCC1 2314460425 NNYMYNDLWHABJE-SFHVURJKSA-N 488.241 5.431 50 10 JKGE COc1ccc(C(C#N)=Cc2ccc(N3N=C(c4ccccc4)C[C@@H]3c3ccccc3)cc2)cc1OC 2314482537 NKZJKVJOPZDUKM-SSEXGKCCSA-N 485.587 7.124 50 10 JKGE CCc1ccc(N2C(=O)[C@@H](Cc3ccccc3)SC2=C(C#N)C(=O)N[C@@H](C)c2ccccc2)cc1 2314593064 GUKKGPPGKPXGAG-RXFWQSSRSA-N 481.621 5.553 50 10 JKGE CN[C@@H](c1c(Cl)cc(Br)c(F)c1Br)[C@H]1C[C@H](Br)C1 2315458275 LAOLSABRQCNCSA-IJESPZCISA-N 464.398 5.438 50 10 JKGE Clc1cc(I)c([C@H](Br)C2C[C@H]3CCC[C@H](C2)C3)s1 2316596920 LIOLNHNJPNETHZ-MWODSPESSA-N 459.618 6.659 50 10 JKGE Brc1cc(I)cc(O[C@@H]2C[C@H](Br)C23CCCC3)c1 2316757906 NWPPEVGOKHMZAT-QWHCGFSZSA-N 485.985 5.529 50 10 JKGE Cc1cc(Br)c(F)c(Br)c1[C@H](Br)[C@H](F)C(F)(F)F 2317404584 UOUORLHMPHJLIS-CBAPKCEASA-N 460.860 5.996 50 10 JKGE Cc1nc(C[C@H](Br)c2ccc(Cl)cc2I)sc1C 2317745347 UOAPLWDZNCBRSW-NSHDSACASA-N 456.574 5.697 50 10 JKGE Cc1sc(Br)c([C@H](Cl)c2ccc(Cl)cc2I)c1C 2317778978 REKIWCHRTBAXGY-GFCCVEGCSA-N 476.004 6.714 50 10 JKGE C[C@@H](Oc1ccc(Cl)cc1Cl)C(=O)Oc1ccc(C=C(C#N)c2ccc(Cl)cc2)cc1 2320506334 HLGKWZALDZDGAT-OAHLLOKOSA-N 472.755 7.084 50 10 JKGE COc1ccc(-c2csc(C(C#N)=C(O)CCCOc3ccc4ccccc4c3)n2)cc1C 2331259960 ZKXKQVGCLYUHGJ-UHFFFAOYSA-N 456.567 6.932 50 10 JKGE Cc1cc(C)c(C)c(-c2csc(C(C#N)=C(O)[C@@H]3CC(=O)N(Cc4ccccc4)C3)n2)c1C 2331364385 ATUTYHYPEOOJCB-OAQYLSRUSA-N 457.599 5.885 50 10 JKGE C[C@H](c1ccccc1)N1C[C@H](C(O)=C(C#N)c2nc(-c3cc(Cl)ccc3Cl)cs2)CC1=O 2331404607 UWWJFJSVNZPTNN-GDBMZVCRSA-N 484.408 6.519 50 10 JKGE COc1cc(C=C(C#N)c2nc(-c3cc(C)ccc3C)cs2)ccc1OCCc1ccccc1 2331445501 FMMOTJXYQCXZNE-UHFFFAOYSA-N 466.606 7.121 50 10 JKGE Cn1cc([C@H](Cl)c2c(F)cc(Cl)c(Br)c2Cl)c(Br)n1 2335293083 DNTMMBMXDKHOPX-VIFPVBQESA-N 451.348 5.719 50 10 JKGE Brc1cc(OCc2ccccc2)ccc1[C@H](Br)[C@H]1C[C@H]2COC[C@H](C2)C1 2336043413 FEFUDWBFKDLTOX-WYADAEROSA-N 480.240 6.527 50 10 JKGE Fc1c(Br)cc(Cl)c([C@H](Br)[C@H]2CCC[C@@H](F)C2)c1Br 2337084665 NXCKXCFUTGJROS-MVKOHCKWSA-N 481.400 6.968 50 10 JKGE Fc1c(Br)cc(Cl)c([C@H](Br)[C@@]23CCC[C@H]2CC3)c1Br 2337097898 NOGRMZVEWBMEHN-HNWMMTHTSA-N 475.421 7.020 50 10 JKGE Clc1ccc(CN2CC[C@]3(CCC[C@@H]3Br)C2)cc1I 2337226301 WTHNWXHEMOQBFM-LSDHHAIUSA-N 454.577 5.084 50 10 JKGE Clc1ccc(CBr)c(OCc2ccc(Cl)c(I)c2)c1 2337277131 PGQOAPWTLZKKCQ-UHFFFAOYSA-N 471.947 6.072 50 10 JKGE COc1c(Br)cc(C)c([C@@H](Br)[C@@H]2CC[C@@H]3C[C@@H]32)c1Br 2339656757 QRUSMTJMMYECHQ-DNJQJEMRSA-N 453.012 6.011 50 10 JKGE Cc1cc(Br)c(F)c(Br)c1[C@H](Br)[C@]12COC[C@H](C1)C2 2339659080 OSDLGKXYJOKODZ-YZMDESFKSA-N 456.975 5.522 50 10 JKGE FC1(F)[C@H]2CC(CCl)(Cc3ccc(I)c(Br)c3)C[C@@H]21 2349842175 WJZJPTRTOIJJFH-UWVGGRQHSA-N 461.515 5.497 50 10 JKGE Cc1cc(CBr)cnc1OCc1ccc(I)c(Br)c1 2350076592 IAWFTVKOYJCFNL-UHFFFAOYSA-N 496.968 5.231 50 10 JKGE O=C(c1csc(Br)c1Br)N1CC[C@@H](Br)C[C@H]1C(F)(F)F 2361458188 XRSULTOLUFIHBG-VDTYLAMSSA-N 499.972 5.204 50 10 JKGE Cc1cccc(C)c1[C@@H](Br)c1c(Cl)cc(Br)c(F)c1Br 2362259089 WWQRKBWYSDKGPM-CYBMUJFWSA-N 485.416 7.105 50 10 JKGE Cc1cc(Br)c(F)c(Br)c1[C@@H](Br)C(C)(C)[C@H]1CCCO1 2365189616 WNFJDWBIIUTTRE-QMTHXVAHSA-N 473.018 6.300 50 10 JKGE C[C@@H]1C[C@H]2C[C@](COc3c(Br)cc(Br)cc3CBr)(C2)O1 2368519407 ADRWZWIDBNJQCT-FCHSOHFDSA-N 469.011 5.443 50 10 JKGE COC1(C(F)F)CC([C@@H](Br)Cc2cc(Br)cc(Br)c2)C1 2369092502 KICMNFZDMVIZQN-PEUVISTOSA-N 476.981 5.578 50 10 JKGE CN(Cc1c(Br)cccc1Br)C[C@](C)(CBr)C(C)(C)C 2380198109 YDJRFLNRCKVLFH-INIZCTEOSA-N 470.087 6.091 50 10 JKGE O=C(N/N=C1\C[C@@H](c2ccccc2)Oc2ccccc21)c1cc(-c2ccc(F)cc2)nc2ccccc12 25337853 BUVVSCXNHCHUAD-BLXWURFBSA-N 487.534 6.699 50 10 JKGE Cc1cccc(C)c1OCC(=O)Oc1ccc2c(c1)OC(N)=C(C#N)[C@H]2c1ccc(Cl)cc1 38651356 VUZRCDRYHLMEMT-DEOSSOPVSA-N 460.917 5.159 50 10 JKGE CCc1ccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4oc5ccc(F)cc5c4C)ccc32)cc1 38700455 IYTXOKLMGWAFCF-RUZDIDTESA-N 468.484 5.880 50 10 JKGE N#CSc1ccc(NC(=O)c2ccc3noc(-c4ccc(Br)cc4)c3c2)cc1 40179977 LMQUXFXZOOMELK-UHFFFAOYSA-N 450.317 6.083 50 10 JKGE CCOC(=O)c1c(NC(=O)N/N=C/c2c(Cl)cccc2Cl)sc2c1CC[C@@H](C)C2 40851475 OAWCOHQSRICGFW-QQUGTJAQSA-N 454.379 5.512 50 10 JKGE CCc1cc(Br)ccc1OCC(=O)N/N=C/c1ccc(OCc2ccc(C)cc2)cc1 40959922 AZVDJIGWBURQJX-JFLMPSFJSA-N 481.390 5.428 50 10 JKGE O=C(CSc1nc2ccc([N+](=O)[O-])cc2s1)N/N=C/c1ccc(-c2ccc(Cl)cc2)o1 59517416 NPHMPVXGJLFBGB-LSHDLFTRSA-N 472.935 5.360 50 10 JKGE Fc1cc2c(cc1Br)nc(CCl)n2-c1cccc(I)c1 97398505 MPZFHHZIUVBHAD-UHFFFAOYSA-N 465.491 5.271 50 10 JKGE C=CCNC(=O)/C(C#N)=C1\S[C@H](Cc2ccc(C(C)C)cc2)C(=O)N1c1ccc(CC)cc1 101241444 NNWTYPCQSWNPQJ-NLTRVXJZSA-N 459.615 5.101 50 10 JKGE COc1ccc(-c2csc(/C(C#N)=C/Nc3ccc(Br)cc3F)n2)cc1OC 102902752 KHMROCFEKWBSDH-JLHYYAGUSA-N 460.328 5.705 50 10 JKGE COc1ccc([C@H](Br)c2ccc(I)cc2)cc1Br 109833734 GPJPMBMNROWJKN-CQSZACIVSA-N 481.953 5.547 50 10 JKGE CCc1nn(C)c(C[C@H](CBr)c2ccc(Br)cc2)c1Br 118851581 FEPRIEJRSZLVPN-LLVKDONJSA-N 465.027 5.229 50 10 JKGE Cc1ccccc1C(CBr)(CBr)Cc1cccc(Br)c1 118877115 KXROCZNAJRZTKO-UHFFFAOYSA-N 461.035 6.028 50 10 JKGE Clc1ccc(Cl)c(CC(CBr)(CBr)c2ccccc2Cl)c1 118877929 VEDYYYQCYXUQEI-UHFFFAOYSA-N 471.447 6.917 50 10 JKGE C[C@H](Cl)c1nc2cc(Cl)c(Cl)cc2n1-c1cccc(I)c1 125167389 VFVFEJAYWCLMPS-QMMMGPOBSA-N 451.522 6.237 50 10 JKGE Cc1cc(Br)c([C@@H](Cl)c2ccc(F)cc2Br)cc1Br 128618058 GBRVWGQEPYBQCI-AWEZNQCLSA-N 471.389 6.750 50 10 JKGE N#C/C(=C/c1ccc(-c2cccc(F)c2)o1)C(=O)Nc1cc(C(F)(F)F)cc(C(F)(F)F)c1 209395743 XGLSQFKTSUFZIF-QPEQYQDCSA-N 468.328 6.669 50 10 JKGE CCOc1ccc([C@H](Br)Cc2ccc(Br)cc2)cc1Br 228996904 DXXXRZJBJLQZSO-CQSZACIVSA-N 463.007 6.289 50 10 JKGE COc1ccc(/C=C(/C#N)C(=O)N2N=C3/C(=C/c4ccccc4)CCC[C@@H]3[C@@H]2c2ccccc2)cc1 229285964 WBSOGOCKXCLARZ-DOSCGZFQSA-N 473.576 6.425 50 10 JKGE COc1ccc([C@H](Br)c2cc(Br)ccc2I)cc1 234992537 NMOBUTJXGJHPRJ-AWEZNQCLSA-N 481.953 5.547 50 10 JKGE Cl[C@H](Cc1cccc(Br)c1)c1cc(Br)cc(Br)c1 236029516 ZUHYTQOAEMZCNV-CQSZACIVSA-N 453.399 6.497 50 10 JKGE BrCC(CBr)(C[C@H]1C[C@H]2CC[C@H]1C2)c1ccccc1Br 250185115 FPJVELRBJFNDBO-MELADBBJSA-N 465.067 6.303 50 10 JKGE CC(C)CCC[C@@H](C)[C@@H]1CC[C@@H]2[C@H]3CC([N+](=O)[O-])=C4C[C@@H](Cl)CC[C@]4(C)[C@@H]3CC[C@]12C 253531978 AARKHEFUGCKAGW-ACJUTZSVSA-N 450.107 8.240 50 10 JKGE O=C(NN=Cc1cccc(OCc2ccccc2)c1)c1cc(-c2ccc3c4c(cccc24)CC3)n[nH]1 254667664 CLUBLWXXTIZLSP-UHFFFAOYSA-N 472.548 5.671 50 10 JKGE Cc1onc(-c2c(Cl)cccc2Cl)c1NC(=O)N(C)N=Cc1c(Cl)cccc1Cl 254763231 XEJPUJCPGJTLGM-UHFFFAOYSA-N 472.159 6.761 50 10 JKGE Clc1cc([C@H](Br)c2ccccc2OCc2ccccc2)c(Cl)c(Cl)c1Cl 404869921 XSZHZWJLOIQPLU-QGZVFWFLSA-N 491.039 8.364 50 10 JKGE CC(C)(CCOc1c(Br)cc(CBr)cc1Br)C1CC1 406097776 GRLTYNGMTDTFIG-UHFFFAOYSA-N 455.028 6.312 50 10 JKGE Br[C@H](c1cc2cscc2s1)c1cc(I)cc2c1OCC2 694383954 WLCMAHHHAGCRGR-AWEZNQCLSA-N 477.186 5.987 50 10 JKGE Fc1cccc2c1nc(CCCl)n2CC1(N(Cc2ccccc2)Cc2ccccc2)COC1 705781301 CRZJGWHKJCGZPL-UHFFFAOYSA-N 463.984 5.428 50 10 JKGE C[C@H]1Cc2cc(Br)cc([C@H](Br)c3ncsc3Br)c2O1 720037513 ALUJMGCNLQYTSL-WKEGUHRASA-N 468.008 5.476 50 10 JKGE CCc1cc(C)sc1[C@@H](Cl)c1ccc(I)c(Br)c1 721594599 PTLDYRKBBMYGRD-ZDUSSCGKSA-N 455.586 6.314 50 10 JKGE CC(C)(C)OC(=O)N1C[C@H](c2ccccc2C(F)(F)F)[C@@H](CI)C1 725411492 SMNHWIUTVMZKLW-AAEUAGOBSA-N 455.258 5.091 50 10 JKGE CC(=O)[C@@]1(O)CC[C@H]2[C@@H]3C[C@@H](C)C4=CC(=O)C=C(O[Si](C)(C)C(C)(C)C)[C@]4(C)[C@H]3[C@@H](O)C[C@@]21C 888085757 LFEZZFSKYNHYMM-ANRIDYAYSA-N 488.741 5.181 50 10 JKGE COc1cc(/C=C(\C#N)C(=O)Nc2cccc(Cl)c2Cl)cc(Cl)c1OCc1ccccc1 1083940669 PEDKSMMMANTNKM-LICLKQGHSA-N 487.770 6.780 50 10 JKGE Cc1cc(C)cc(-n2c(C)c(Br)c(C=NNC(=O)CSCc3ccccc3)c2C)c1 1084131221 XXVGBVHUTZCJCK-UHFFFAOYSA-N 484.463 5.857 50 10 JKGE C=CCc1cc(/C=C(\C#N)C(=O)Nc2ccc(C)cc2)cc(OC)c1OCc1ccc(C)cc1 1084270176 BYYWRRHDJZMYKW-PCLIKHOPSA-N 452.554 6.165 50 10 JKGE COc1cc(C=NNC(=O)C=C(Sc2ccccc2)Sc2ccccc2)cc(OC)c1OC 1084411538 CIKHTHBYUCTVSZ-UHFFFAOYSA-N 480.611 5.589 50 10 JKGE Cc1cccc(-n2c(C)c(Br)c(C=NNC(=O)c3cc4ccccc4cc3O)c2C)c1 1084529781 PDXDMGULMPMHDK-UHFFFAOYSA-N 476.374 5.788 50 10 JKGE O=C(NN=C(c1ccc(Cl)cc1)c1ccc2c(c1)OC(F)(F)O2)Nc1ccc([N+](=O)[O-])cc1 1088719181 HPVQBAIWWQJUKP-UHFFFAOYSA-N 474.807 5.144 50 10 JKGE O=C(OCc1ccccc1)N1C[C@@H](CBr)[C@@H](c2ccccc2OC(F)(F)F)C1 1614620697 BYRCGSFXCATYLB-WBVHZDCISA-N 458.274 5.332 50 10 JKGE Cc1cc(OC(=O)c2oc3c(c2C)C(=NNC(=O)c2cccc(Cl)c2)CCC3)ccc1Cl 1772747001 CBXUAIGVSLGFJB-UHFFFAOYSA-N 471.340 5.893 50 10 JKGE Cc1c(C(=O)NC2CCCCC2)oc2c1C(=NNC(=O)COc1ccc(Cl)cc1Cl)CCC2 1772749805 OZWLSVCDABKJJA-UHFFFAOYSA-N 492.403 5.193 50 10 JKGE COc1ccc(-n2nc(-c3ccccc3)c3c2OC(N)=C(C#N)[C@@H]3c2ccc(Cl)cc2Cl)cc1 1865686705 YSKIAFKQEWOQTA-QFIPXVFZSA-N 489.362 6.073 50 10 JKGE CCc1nn(-c2ccc(C)cc2)c2c1[C@@H](c1ccc(N(CC)Cc3ccccc3)cc1)C(C#N)=C(N)O2 1865706747 DTTSKBLVEUILFP-NDEPHWFRSA-N 489.623 5.988 50 10 JKGE COc1ccccc1[C@@H]1C(C#N)=C(N)Oc2c1c(-c1ccccc1)nn2-c1ccccc1Cl 1865709866 IVWGAELWTLPYAR-JOCHJYFZSA-N 454.917 5.419 50 10 JKGE CCCc1nn(Cc2ccc(Cl)c(Cl)c2)c2c1[C@H](c1ccccc1C)C(C#N)=C(N)O2 1865713363 XFDLHFDNDOYCLR-OAQYLSRUSA-N 453.373 5.717 50 10 JKGE Cc1nc(-c2ccc(Cl)c(Cl)c2)ccc1C(=O)NNC(=O)c1ccc(C(C)(C)C)cc1 1865759037 FMBUXQPSSAFNSY-UHFFFAOYSA-N 456.373 5.736 50 10 JKGE C[C@@H](Oc1ccc(Cl)cc1Cl)/C(O)=C(\C#N)c1nc(-c2ccc3c(c2)CCCC3)cs1 1872745435 MXRGRJWHCQYCBA-GYXJVLCKSA-N 471.409 7.256 50 10 JKGE COc1ccc(/C=C(C(/O)=C(\C#N)c2nc(-c3ccc(C)c(C)c3)cs2)\c2ccccc2)cc1OC 1872756158 FEEOMKPXPRRHTD-FRNXXMHGSA-N 494.616 7.478 50 10 JKGE COc1c(Cl)cc(-c2csc(/C(C#N)=C(\O)c3cc(Cl)ccc3Cl)n2)cc1Cl 1872756307 WYKFKUYLUNUWLK-ATVHPVEESA-N 472.180 7.382 50 10 JKGE COc1cc(-c2csc(/C(C#N)=C(\O)c3ccc(OC(C)=O)cc3)n2)c(OC)cc1Cl 1872756522 NSBZQEQEAKOKLL-PGMHBOJBSA-N 456.907 5.356 50 10 JKGE COc1c(C)cc(Cl)cc1-c1csc(/C(C#N)=C(O)/C=C\c2ccc3c(c2)OCCO3)n1 1872756936 IOGCFAWSVPLRAR-OWSBAJLKSA-N 466.946 6.058 50 10 JKGE N#C/C(=C\c1c(OCc2ccccc2)ccc2ccccc12)c1nc(-c2ccc(F)cc2)cs1 1872791403 HSOYDXLUOBIMCE-XQNSMLJCSA-N 462.549 7.746 50 10 JKGE CCCCOc1ccc(/C=C(\C#N)c2nc(-c3cc(Cl)cc(Cl)c3OC)cs2)cc1OC 1872792714 NDSZSDLJAZXGDG-CXUHLZMHSA-N 489.424 7.377 50 10 JKGE CCCCCOc1ccc(/C=C(\C#N)c2nc(-c3ccc(Cl)s3)cs2)cc1OCC 1872794496 FMTPCLDGUZOCGY-SFQUDFHCSA-N 459.036 7.557 50 10 JKGE O=S(=O)(c1ccc(F)c(CBr)c1F)N(Cc1ccccc1)Cc1ccccc1 1885383534 WVHPQFJFMQWKSW-UHFFFAOYSA-N 466.347 5.251 50 10 JKGE BrC[C@@H](C1CC1)N(Cc1ccccc1)Cc1sccc1I 1888202807 BNJUEZVUXSGHIF-INIZCTEOSA-N 476.221 5.528 50 10 JKGE COc1cc(C)c([C@H](Br)c2cc(Br)oc2C)cc1Br 1901673960 JCAJKEJCWKIJTI-AWEZNQCLSA-N 452.968 5.914 50 10 JKGE Clc1cc(Br)c([C@H](Br)c2cc(I)sn2)s1 1909862498 BICNETWDSVQNPQ-SSDOTTSWSA-N 499.418 5.709 50 10 JKGE COC1(C(F)(F)[C@H](Br)c2cc(Br)sc2Br)CCC1 1912499464 DPTNNSRKTKXIPG-MRVPVSSYSA-N 468.983 5.914 50 10 JKGE Fc1cc(Br)c2nc(CCl)n([C@@H]3CCOC[C@@H]3OCc3ccccc3)c2c1 1912679484 DYKRYBHRXZVROM-AEFFLSMTSA-N 453.739 5.224 50 10 JKGE CC(C)(C)O[C@H]1C[C@@H]([C@@H](Br)c2cc(Br)c(Br)s2)C1 1913998917 MHEZFFWRJSHECQ-VHSKPIJISA-N 461.057 6.303 50 10 JKGE CC(C)[C@@H](CBr)N(Cc1ccccc1)S(=O)(=O)c1cccc(Br)c1 1915291693 QZSKZOZTTAMXJN-GOSISDBHSA-N 475.246 5.060 50 10 JKGE CC(C)(CBr)N(Cc1ccccc1)C(=O)c1ccc(Br)c(Cl)c1 1915738566 QOMRXVDNFGWTJL-UHFFFAOYSA-N 459.609 5.918 50 10 JKGE CC(C)(CBr)N(Cc1ccccc1)C(=O)c1cc(Cl)ccc1Br 1915753937 ODWQBOCOBITMIG-UHFFFAOYSA-N 459.609 5.918 50 10 JKGE CCC(C)(C)C[C@H](Br)c1c(Br)sc(Br)c1Cl 1923040540 VIPLLPDXYQPLDV-LURJTMIESA-N 453.465 7.189 50 10 JKGE Cn1cc([C@@H](Cl)c2c(Br)sc(Br)c2Cl)nc1Br 1923054199 BLDNLMLXQAWKDJ-RXMQYKEDSA-N 483.838 5.751 50 10 JKGE C[C@@H]1OCCO[C@@H]1[C@H](Br)c1c(Br)sc(Br)c1Cl 1923067124 YSQBSUBMWPQYER-SJIRYBADSA-N 469.420 5.166 50 10 JKGE Cc1ccc(F)c([C@@H](Cl)c2c(Br)sc(Br)c2Br)c1 1924586405 XLMAYLFNCVNTGI-SNVBAGLBSA-N 477.418 6.811 50 10 JKGE CC1(C)C[C@H]1CC[C@@H](Cl)c1c(Br)sc(Br)c1Br 1924615034 VNIXYADHQNJSMK-RNFRBKRXSA-N 465.476 7.142 50 10 JKGE C[C@@H]1OCCO[C@@H]1[C@@H](Cl)c1c(Br)sc(Br)c1Br 1924615364 ZSQQAXHPZVWMLO-YRKVQTBBSA-N 469.420 5.119 50 10 JKGE CN(CCN(Cc1ccccc1)C[C@H](CBr)c1ccccc1)Cc1ccccc1 1931961257 IKTBQWKXLMEQFC-SANMLTNESA-N 451.452 5.799 50 10 JKGE FC(F)(F)[C@@H]1C[C@H]1[C@H](Br)c1c(Br)sc(Br)c1Cl 1950755220 RLZBHKBSRYVVQL-KUCRYNDESA-N 477.365 6.561 50 10 JKGE CCc1sc(Br)cc1[C@H](Br)c1cc(I)sn1 1983292033 CWQUGLJXSKLRBL-JTQLQIEISA-N 493.027 5.618 50 10 JKGE CN(C[C@@H](Br)COCc1ccccc1)C(=O)c1c(Cl)cccc1Br 2003558656 YAPULBPCVHSRTD-CQSZACIVSA-N 475.608 5.155 50 10 JKGE Cn1ncc([C@H](Br)c2ccc(Br)cc2Br)c1Br 2024279783 RJCCBMARHBVGQI-SNVBAGLBSA-N 487.815 5.192 50 10 JKGE Cc1cc(Br)ccc1S(=O)(=O)N(Cc1ccccc1)C(C)(C)CBr 2025940650 ZBLISSPYUQDTOC-UHFFFAOYSA-N 475.246 5.122 50 10 JKGE Brc1cccc([C@@H](Br)c2cc(C3CC3)c(Br)s2)c1 2033643688 ULDOOVFWAHQHDG-CYBMUJFWSA-N 451.021 6.635 50 10 JKGE C[C@]1([C@H](Br)c2c(Br)sc(Br)c2Cl)C[C@@H]1C(F)(F)F 2039184032 BEFMKQGJWRMDJW-KCPCGSIISA-N 491.392 6.951 50 10 JKGE BrCc1ccc(N2CC[C@]3(CCN(Cc4ccccc4)C3)C2)cc1Br 2044884584 JRGVDTCUSDUMRG-NRFANRHFSA-N 464.245 5.446 50 10 JKGE Clc1c(Br)sc(Br)c1[C@@H](Br)[C@@H]1CCCC12CCC2 2053378678 SKABSIRMNYMERZ-CBAPKCEASA-N 477.487 7.333 50 10 JKGE Cc1c(Br)sc([C@H](Br)C(F)(F)[C@@H]2CCOC2)c1Br 2065535806 KBXKHFZDZPKETI-MUWHJKNJSA-N 468.983 5.689 50 10 JKGE Fc1cc(Br)cc(N2C[C@@H]3CCN(Cc4ccccc4)[C@@H]3C2)c1CBr 2068563940 YGJZUQSIFZEXDR-MGPUTAFESA-N 468.208 5.194 50 10 JKGE C[C@H](Br)[C@@H](NCc1c(Br)cccc1Br)C(F)(F)F 2074719458 HFPKQCGRGMAJQY-QUBYGPBYSA-N 453.922 5.016 50 10 JKGE C[C@H]1O[C@H](Sc2ccccc2)[C@H](O[Si](C)(C)C(C)(C)C)[C@@H]1O[Si](C)(C)C(C)(C)C 2080608402 OFGJJVPXPJJODQ-CWJKEVGVSA-N 454.825 7.304 50 10 JKGE O=C(NC1(CCCBr)CCC1)c1scc(Br)c1Br 2084982265 UOIQCVFTPPUPDN-UHFFFAOYSA-N 460.029 5.101 50 10 JKGE Fc1cc(Br)c([C@@H](Br)c2cc(Cl)c(Cl)s2)c(F)c1F 2099843457 POFPPASZZGXKRI-QMMMGPOBSA-N 454.920 6.719 50 10 JKGE Cc1cc2sc([C@@H](Br)c3c(Cl)sc(Br)c3Cl)cc2s1 2100322691 KKGRIJIKAXNORR-SECBINFHSA-N 477.095 7.886 50 10 JKGE FC1(F)CCCCC[C@H]1[C@@H](Br)c1cc(Br)ccc1Br 2108659470 VARWHICKHIVCSQ-AAEUAGOBSA-N 460.982 6.863 50 10 JKGE Cc1cc(Br)c(C)c([C@H](Br)C(C)(C)S(C)(=O)=O)c1Br 2136380925 XHRXAKVVBRPKGR-LBPRGKRZSA-N 477.056 5.088 50 10 JKGE Cc1c(Br)ccc([C@H](Br)[C@@H]2CCCC3(CC3)C2)c1Br 2138860584 BNFFBDDEIMSLNS-IAQYHMDHSA-N 451.040 6.926 50 10 JKGE Fc1cc(Br)cc(F)c1[C@@H](Br)c1cc(C2CC2)c(Br)s1 2151031806 HSFVAAFHDRQBSI-ZDUSSCGKSA-N 487.001 6.913 50 10 JKGE COCc1cc(Br)c([C@H](Cl)c2cc(Cl)c(C)c(Br)c2)s1 2167384906 RHLOVLQUAPZENH-CYBMUJFWSA-N 459.030 6.710 50 10 JKGE C[C@@H]1[C@@H](n2c(CCCl)nc3cc(Cl)c(Br)cc32)CCN1Cc1ccccc1 2169015386 LOPLAYJGZRNBHY-KUHUBIRLSA-N 467.238 6.069 50 10 JKGE ClCc1nc2cc(Cl)c(Br)cc2n1C[C@H]1CN(Cc2ccccc2)CCO1 2169016042 VITMPKYYQPHWNW-OAHLLOKOSA-N 469.210 5.092 50 10 JKGE CCOc1ccc([C@H](Cl)c2cc(I)ccc2F)cc1Br 2169668119 MLXIUKFBIJGPAM-HNNXBMFYSA-N 469.519 5.920 50 10 JKGE CCc1nn(C)c([C@H](Br)c2ccc(F)c(Br)c2F)c1Br 2192384764 KQFASNIBHXNMHC-SECBINFHSA-N 472.953 5.270 50 10 JKGE Cc1cc(Br)c(C)c([C@H](Br)C2CC[C@H]3C[C@@H]3CC2)c1Br 2201065896 VECQRNUPBMOSKT-GDZNZVCISA-N 465.067 7.091 50 10 JKGE Brc1cc([C@H](Br)C2C[C@H]3CCC[C@H](C2)C3)sc1Br 2218349927 OKAQSPDAOTZCGC-MWODSPESSA-N 457.069 6.926 50 10 JKGE Fc1cc(Br)c(Br)c2c1CC[C@H](C(F)F)C[C@H]2Br 2218604825 ZYKAEWNYEQMDKY-CAHLUQPWSA-N 450.918 6.004 50 10 JKGE COC1(C[C@H](Br)c2c(Br)cc(Cl)c(Cl)c2Cl)CCC1 2224302877 PTYDEZAQWLYLGP-QMMMGPOBSA-N 451.413 6.805 50 10 JKGE C[C@@H](Cl)c1nc2cc(Br)c(Br)cc2n1C1CC(Br)C1 2225697708 SQMHWAXZYGBSPM-JECWYVHBSA-N 471.418 5.960 50 10 JKGE Cc1cc(Br)c([C@@H](Br)c2c(C)sc(Br)c2C)cc1Cl 2225862527 BEMOYPVPSAQBPH-CYBMUJFWSA-N 487.482 7.336 50 10 JKGE CC[C@H](C[C@H](Br)c1c(Br)cc(Cl)c(Cl)c1Cl)C(C)(C)C 2232518388 BVAMVMVIUQWBTP-BDAKNGLRSA-N 465.484 8.308 50 10 JKGE COc1cc(Br)c([C@@H](Cl)c2cc(I)ccc2F)cc1C 2236003026 PFSCQGVLGVBVLJ-OAHLLOKOSA-N 469.519 5.838 50 10 JKGE BrC[C@]12CCCC[C@@H]1CN(Cc1ccc(Br)cc1Br)C2 2238822168 BHKGWEOUZCPDMH-CJNGLKHVSA-N 466.055 5.599 50 10 JKGE Brc1cc(CNC2CCC2)cc(Br)c1OC[C@H]1C[C@H]1Br 2240050742 ZYEDUYFYVXJSOZ-ZYHUDNBSSA-N 468.027 5.016 50 10 JKGE COc1ccc([C@H](Br)c2cc(Br)c(Cl)cc2C)c(Br)c1 2240818324 NWXBNMGBALBNOD-HNNXBMFYSA-N 483.425 6.666 50 10 JKGE Cc1cccc([C@@H](Cl)c2sc(C)c(C)c2Br)c1I 2253511075 CDSZWMHAEIYYTK-GFCCVEGCSA-N 455.586 6.369 50 10 JKGE CCc1cc([C@@H](Br)Cc2ccccc2Br)sc1Br 2255975980 CVPKBMCQMWKXBI-LBPRGKRZSA-N 453.037 6.514 50 10 JKGE COc1ccc([C@@H](Br)c2cccc(C)c2Br)cc1I 2269542437 KAGBXBRFUDRLCW-OAHLLOKOSA-N 495.980 5.855 50 10 JKGE CCc1cc([C@H](Br)c2cc(Br)cc(C(C)C)c2)sc1Br 2282918883 KVECCAXBKOCXJB-OAHLLOKOSA-N 481.091 7.443 50 10 JKGE COc1c([C@H](Br)c2scc(Cl)c2Cl)cc(Br)c(C)c1C 2284590343 WPWCVTZBCFJEAU-NSHDSACASA-N 459.030 6.927 50 10 JKGE Fc1cc(Br)c(F)c(Br)c1[C@H](Br)[C@]12CCC[C@H]1OCC2 2288358149 MUCOTXPUEFTUQF-IIMNLJJBSA-N 474.965 5.885 50 10 JKGE Cc1ccc([C@@H](Br)c2c(F)cc(Br)c(F)c2Br)c(Cl)c1 2288492344 FGXKQUKIAGKAON-GFCCVEGCSA-N 489.379 6.936 50 10 JKGE N#CC(=Cc1ccc(-c2cc(C(F)(F)F)ccc2Cl)o1)C(=O)Nc1ccc(Cl)cc1 2293038520 IRUVLWPZXKGXQW-UHFFFAOYSA-N 451.231 6.818 50 10 JKGE Cc1ccc(C[C@H]2SC(=C(C#N)C(=O)Nc3ccccc3)N(c3ccc(F)cc3)C2=O)cc1 2293039019 UMPOPSUABSYACQ-HSZRJFAPSA-N 457.530 5.199 50 10 JKGE N#CC(=Cc1cc(Cl)cc(Cl)c1OCCOc1ccc(Cl)cc1)C(=O)NCc1ccco1 2293689710 WHIUPCAJWMXUIW-UHFFFAOYSA-N 491.758 5.921 50 10 JKGE COc1cc(C=C(C#N)c2ccc(Br)cc2)ccc1OCc1ccc(C(=O)O)cc1 2294229495 ZXDYXDZSICBQOA-UHFFFAOYSA-N 464.315 5.799 50 10 JKGE CCCCN1C(=O)C(=Cc2cn(-c3ccccc3)nc2-c2ccc(OCC)cc2C)C(C)=C(C#N)C1=O 2295838591 DHHIJOXAHGLUKL-UHFFFAOYSA-N 494.595 5.639 50 10 JKGE CC(C)(C)c1ccc(Oc2nc3ccccn3c(=O)c2C=C(C#N)C(=O)Nc2ccc(Cl)cc2)cc1 2296719369 IZYWIYCXOBMXLY-UHFFFAOYSA-N 498.970 5.983 50 10 JKGE CCOC(=O)c1c(NC=C(C#N)c2nc(-c3ccc4c(c3)OCO4)cs2)sc(C(C)=O)c1C 2297466740 ZCHMIXXIVRIPPC-UHFFFAOYSA-N 481.555 5.265 50 10 JKGE COc1cc(C=C(C#N)C(=O)Nc2nc3ccccc3s2)ccc1OCCCOc1cccc(C)c1 2297500396 SFPKUXLIFGUDQP-UHFFFAOYSA-N 499.592 6.007 50 10 JKGE N#CC(=Cc1ccc(-c2ccc(Br)cc2)o1)C(=O)Nc1ccc([N+](=O)[O-])cc1Cl 2297551654 XFPBGTCJXKYIRU-UHFFFAOYSA-N 472.682 5.816 50 10 JKGE C[C@@H]1C[C@@H]2C(=CCCC2(C)C)C[C@H]1C=NNC(=O)CNC(=O)C(c1ccccc1)c1ccccc1 2297672243 VBYMCZWEOZFNSW-QGUKFAFCSA-N 471.645 5.445 50 10 JKGE CC1(C)COC[C@@H]1[C@@H](Br)c1c(Br)sc(Br)c1Cl 2299623657 FPNGBCCRPIZXJC-IYSWYEEDSA-N 467.448 6.035 50 10 JKGE Cc1ccc(C[C@H]2SC(=C(C#N)C(=O)Nc3cccc(C)c3)N(c3ccc(C)c(C)c3)C2=O)cc1 2314592623 YVCZADIRKYNJFY-AREMUKBSSA-N 481.621 5.985 50 10 JKGE CC1=C(C#N)C(=O)N([C@@H](C)c2ccccc2)C(=O)C1=Cc1ccc(OCc2ccc(F)cc2)cc1 2314618147 IDZIMUUHLMYLBC-FQEVSTJZSA-N 466.512 5.758 50 10 JKGE COc1cc(C=C(C#N)C(=O)NCc2ccccc2)ccc1OC(=O)COc1ccc(C(C)C)cc1 2314737278 VQKHFLVVXAFKKT-UHFFFAOYSA-N 484.552 5.026 50 10 JKGE CCCCOc1ccc(C=C(C#N)C(=O)Nc2sc3c(c2C(=O)OCC)[C@H](C)CCC3)cc1 2314754718 ZEJOIPQXMCHZLD-QGZVFWFLSA-N 466.603 6.089 50 10 JKGE CCOc1c(Br)cc(C=CC(=O)Oc2ccc(C=CC#N)cc2OC)cc1OC 2314795812 SUILERNPAJPLND-UHFFFAOYSA-N 458.308 5.021 50 10 JKGE CN[C@@H](c1c(Cl)cc(Br)c(F)c1Br)[C@H]1C[C@@H](Br)C1 2315458280 LAOLSABRQCNCSA-ZWBHMBAVSA-N 464.398 5.438 50 10 JKGE FC1(F)C[C@H]([C@@H](Br)c2sc(Cl)cc2I)C12CCC2 2316600128 AZSZBNQZPZAGEI-HZGVNTEJSA-N 467.544 6.268 50 10 JKGE Cc1c(Br)sc([C@H](Br)[C@H]2CC[C@H]2C(C)(C)C)c1Br 2320101153 MLSLVCZDMKUPTG-IQJOONFLSA-N 459.085 7.090 50 10 JKGE COc1ccc(C(C#N)=Cc2cccc(OC(=O)[C@@H](C)Oc3ccc(Cl)cc3Cl)c2)cc1OC 2320511395 SLHRCVTWRYQLSM-MRXNPFEDSA-N 498.362 6.448 50 10 JKGE CC(C)(C)Oc1ccc(C=NNC(=O)c2cc(-c3ccccc3)nc(N3CCCCC3)n2)cc1 2323756273 DPEPSPXOOUMRKU-UHFFFAOYSA-N 457.578 5.075 50 10 JKGE CCCCCCCCCOc1ccc(C=C(C#N)c2nc3ccc(C)cc3[nH]2)cc1Br 2331018420 PPMGODGYEVGGFO-UHFFFAOYSA-N 480.450 7.827 50 10 JKGE N#CC(=C(O)c1ccc(N2CCCC2)c([N+](=O)[O-])c1)c1nc(-c2ccc(-c3ccccc3)cc2)cs1 2331232394 GSZDXCDRYVJIGD-UHFFFAOYSA-N 494.576 6.935 50 10 JKGE CSCC[C@H](C(O)=C(C#N)c1nc(-c2ccccc2)cs1)N1C(=O)c2ccccc2C1=O 2331304887 QNAOKWHAASPLSL-HXUWFJFHSA-N 461.568 5.021 50 10 JKGE CCOc1ccc(CCC(O)=C(C#N)c2nc(-c3ccc4c(c3)OCO4)cs2)cc1OC 2331334715 DSQGZUBNVWGSEK-UHFFFAOYSA-N 450.516 5.372 50 10 JKGE CCOc1ccc(OCC)c(-c2csc(C(C#N)=C(O)Cc3cccc4ccccc34)n2)c1 2331376156 KDXRWUAXKLOMTP-UHFFFAOYSA-N 456.567 6.796 50 10 JKGE C=CCOc1ccccc1OCC(O)=C(C#N)c1nc(-c2ccc(OCC)cc2OCC)cs1 2331386523 IPTPULJKHLBRON-UHFFFAOYSA-N 478.570 6.044 50 10 JKGE Cc1ccc(C(C)(C)C)cc1-c1csc(C(C#N)=C(O)[C@H](C)Oc2ccccc2C(C)C)n1 2331397121 KEJWSRDXAXGPLY-IBGZPJMESA-N 460.643 7.800 50 10 JKGE COc1ccc(-c2csc(C(C#N)=C(O)[C@H](C)Oc3ccccc3C(C)C)n2)c2ccccc12 2331406413 JVYISXVYTFTWQI-SFHVURJKSA-N 470.594 7.355 50 10 JKGE COc1ccc(-c2csc(C(C#N)=C(O)c3cc([N+](=O)[O-])ccc3Cl)n2)c(OC)c1OC 2331413587 CLIKLKRUJPBESC-UHFFFAOYSA-N 473.894 5.347 50 10 JKGE Cc1cc(Br)c(F)c(Br)c1[C@@H](Br)C[C@@H](C)C(C)(C)C 2339646510 ROIZYPRAILUCMR-ZJUUUORDSA-N 459.035 7.167 50 10 JKGE Cc1cc(Br)c([C@H](Br)[C@]23C[C@H](C[C@H](C)O2)C3)cc1Br 2342805337 LXXJORYOPAMPIP-FCIDVOKBSA-N 453.012 5.914 50 10 JKGE Cc1cc(Cl)c([C@H](Cl)c2sc(Br)c(C)c2Br)c(Cl)c1 2353088104 YOKQQOCVZRNBKT-NSHDSACASA-N 463.449 7.525 50 10 JKGE BrCc1cc(Br)cc(Br)c1OC[C@H]1OC[C@@H]2CCC[C@H]12 2358512579 DLWDAMLZSSJHMW-DUFXMDAXSA-N 469.011 5.300 50 10 JKGE Fc1ccc([C@H](Cl)c2c(F)cc(Cl)c(Br)c2Cl)cc1Br 2360402065 ONHLGBOETCAYFK-LBPRGKRZSA-N 465.346 7.125 50 10 JKGE Brc1cc(OCc2ccccc2)ccc1[C@H](Br)[C@@H]1CC2(CCCCC2)CO1 2361168673 NVTXUXWVWQGSGZ-VXKWHMMOSA-N 494.267 7.204 50 10 JKGE Fc1c(Br)cc(Cl)c([C@H](Cl)[C@@H]2CC[C@H]2C(F)(F)F)c1Br 2362225257 SHXYNWLMKOFGMV-FJNYAOGASA-N 458.902 6.873 50 10 JKGE Fc1c(Br)cc(Cl)c([C@H](Cl)[C@@H]2CC[C@H]3[C@H]2C3(F)F)c1Br 2362231882 HYGMSVMBXAMPBX-NVVFWEOYSA-N 452.923 6.575 50 10 JKGE Fc1c(Br)cc(Cl)c([C@H](Br)[C@H]2CC3(CCC3)CO2)c1Br 2362236988 QYDLTAZTKPTCMY-MWLCHTKSSA-N 491.420 6.399 50 10 JKGE Clc1ccc(CN2C[C@H](Br)C[C@@H]3CCCC[C@@H]32)cc1I 2362367924 HYMZLHDOPKQEMR-ZENOOKHLSA-N 468.604 5.473 50 10 JKGE C[C@]1(NC(=O)c2cc(Br)sc2Br)C[C@H]2CC[C@H]1C[C@H]2Br 2380907703 BFRCXTMDFAYTKT-FTIDKWBHSA-N 486.067 5.345 50 10 JKGE FC(F)(F)[C@H]1C[C@@H](COc2c(Br)cc(Br)cc2CBr)C1 2380943122 BPYNARATWKWKBP-OTSSQURYSA-N 480.944 6.074 50 10 JKGE Cc1cccc(C[C@@H]2S/C(=C(/C#N)C(=O)Nc3cccc(C)c3C)N(c3ccccc3)C2=O)c1 2213050 GVTGAHPAJOWFBX-IDJUBOEBSA-N 467.594 5.677 50 10 JKGE COc1ccc(/C(C)=N\NC(=O)CSc2nnc(-c3ccccc3)n2-c2ccc(Cl)cc2)cc1 19849570 LXVFELOYHOSXKJ-PKAZHMFMSA-N 492.004 5.229 50 10 JKGE N#C/C(C(=O)c1ccccc1)=C1\S[C@H](Cc2cccc(Cl)c2Cl)C(=O)N1c1ccccc1 33652738 WQJMRKBCMDSXEB-MDVMQCDRSA-N 479.388 6.303 50 10 JKGE COc1cc(/C=C(/C#N)c2ccc(Cl)cc2)c(Br)cc1OCc1ccccc1 35303418 PARSYRVTVHGHEF-ODLFYWEKSA-N 454.751 6.754 50 10 JKGE CCOc1ccc(NC(=O)/C(C#N)=C/c2cn(-c3ccccc3)nc2-c2ccc(OC)cc2)cc1 35516323 QQHMVFWSIGPRHK-HEHNFIMWSA-N 464.525 5.492 50 10 JKGE CCCCCCOc1ccc(/C=C2/C(=O)N(C3CCCCC3)C(=O)C(C#N)=C2C)cc1OC 38608110 XPIVLSRNXCXUTG-CJLVFECKSA-N 450.579 5.579 50 10 JKGE Cc1cc(C)cc(OCC(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@@H]3c2ccc(C(C)C)cc2)c1 38649583 DDNCQEIEKXKCAS-MUUNZHRXSA-N 468.553 5.629 50 10 JKGE CC(C)Oc1ccc(C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@H]3c2ccc(Cl)cc2Cl)cc1 38655407 JHHHAZOPCDXADZ-DEOSSOPVSA-N 495.362 6.218 50 10 JKGE C=CCOc1ccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4ccccc4OCC)ccc32)cc1 38658257 WDNWCBHEROVWNT-AREMUKBSSA-N 468.509 5.087 50 10 JKGE CCCCOc1ccccc1[C@@H]1C(C#N)=C(N)Oc2cc(OC(=O)c3ccc(Cl)cc3)ccc21 38682685 ZFEYRWSPBAOWSU-VWLOTQADSA-N 474.944 5.956 50 10 JKGE CCCCOc1cccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)COc4ccccc4)ccc32)c1 38685087 BLXWFVGALGOVBU-MHZLTWQESA-N 470.525 5.068 50 10 JKGE CCCOc1ccccc1/C=C(\C#N)C(=O)Oc1ccc(C(=O)Nc2ccc(OC)cc2)cc1 40949059 JFIZKLUNHYICOK-HEHNFIMWSA-N 456.498 5.249 50 10 JKGE CC(C)(C)c1ccc(OCCCC(=O)N/N=C/c2ccc(Br)o2)c(Br)c1 40959257 VPDJPCQRNMYWSD-WSDLNYQXSA-N 486.204 5.411 50 10 JKGE COc1cc(/C=C(/C#N)c2nc3ccccc3[nH]2)ccc1OCc1c(Cl)ccc(Cl)c1Cl 51092845 QBMFQRFZZQPKLF-GDNBJRDFSA-N 484.770 7.175 50 10 JKGE CCOc1cc(/C=C(\C#N)C(=O)Nc2c(C)cccc2C)ccc1OCc1ccc(Cl)cc1 59201363 YGJJQGLOLOAJDH-HYARGMPZSA-N 460.961 6.480 50 10 JKGE N#C/C(=C/c1cc(Cl)ccc1OCc1cccc(C(F)(F)F)c1)C(=O)NC1CCCCC1 96438691 XJZQPXIADXDNEL-PDGQHHTCSA-N 462.899 6.294 50 10 JKGE CCCCN(C(=O)CCl)[C@H](C(=O)NC1CCCCCC1)c1ccc(OC(C)C)c(OC)c1 97914869 GPOJFMNZBYDGFF-DEOSSOPVSA-N 467.050 5.230 50 10 JKGE CCCCCCCCCCCCCCCCNC(=O)[C@@]12CC[C@@](C)([C@@H]1Br)C2(C)C 100935640 PPWOHYCWXKVPIB-UCGXPXSYSA-N 470.580 8.174 50 10 JKGE CC(C)(C)C1CCC([C@H](Br)c2cc(Br)sc2Br)CC1 109870160 RZIGCDSUOGRSLT-ZPPKWKGLSA-N 473.112 7.562 50 10 JKGE FC(F)(F)c1cc([C@H](Br)Cc2ccc(Br)cc2)ccc1Br 124673750 QGASJYLFYAZONF-CQSZACIVSA-N 486.951 6.909 50 10 JKGE CCCCc1ccc(N(C(=O)/C(C#N)=C\c2ccccc2OC)S(=O)(=O)c2ccc(C)cc2)cc1 207133177 SZDRFABZXUUMNS-CLCOLTQESA-N 488.609 5.675 50 10 JKGE Cc1cccc(C[C@@H](Br)c2cc(I)ccc2Br)c1 235890263 HCQJHXQZUKBZRY-OAHLLOKOSA-N 479.981 6.041 50 10 JKGE Clc1ccc([C@@H](Br)c2csc3c(Br)cccc23)c(Br)c1 236075465 ZFRBAWMEZKNOCK-CQSZACIVSA-N 495.461 7.564 50 10 JKGE CC(C)(C)OC(=O)N1C[C@@H](CBr)[C@@H](c2cc(Cl)ccc2Br)C1 382716753 KYGVMEMUPVBNCB-MFKMUULPSA-N 453.602 5.448 50 10 JKGE C[C@@H](Cl)c1nc2cc(I)c(F)cc2n1CCCOCc1ccccc1 389962206 OUMOGFIKIGGNGK-CYBMUJFWSA-N 472.729 5.687 50 10 JKGE Cc1cc(Br)c([C@@H](Br)c2csc(Cl)c2)cc1Br 393587195 TZQNQRKEVSGMPA-LBPRGKRZSA-N 459.428 6.719 50 10 JKGE Fc1cc([C@@H](Cl)c2cc(Br)ccc2I)c(F)c(F)c1F 395572922 NGUBFZFXOSXQEX-JTQLQIEISA-N 479.436 5.938 50 10 JKGE Clc1cc([C@H](Br)c2sccc2Br)c(Cl)c(Cl)c1Cl 405008653 NVRCQIOBVZTFOA-ZETCQYMHSA-N 469.840 7.609 50 10 JKGE COCc1cc(Br)c([C@H](Br)c2c(C)cccc2Br)s1 688146332 OSXJPCGCIDKSDZ-CYBMUJFWSA-N 469.036 6.212 50 10 JKGE C[C@H](Cl)c1nc2ccc(F)c(Br)c2n1CC[C@@H](C)N(C)Cc1ccccc1 689774438 MFCMWHABXNXZAM-CABCVRRESA-N 452.799 6.148 50 10 JKGE O=C(c1scc(Br)c1Br)N1CCC(CCCBr)CC1 705440910 FCTYWHNHUPRPNW-UHFFFAOYSA-N 474.056 5.300 50 10 JKGE Oc1nc2ccc([C@H](Br)c3scc(Br)c3Br)cc2o1 707833342 CKEMWIPUDUTRAD-VIFPVBQESA-N 467.964 5.604 50 10 JKGE BrCc1ccc(N2CC[C@H]3[C@@H](CCCN3Cc3ccccc3)C2)cc1Br 715016598 WGGVRVMPNRQKPQ-UGKGYDQZSA-N 478.272 5.835 50 10 JKGE O=C(NN=Cc1ccc(OCc2ccccc2F)cc1)c1cc2cc(Br)ccc2o1 1084028520 UBXNCIVUWZZSBR-UHFFFAOYSA-N 467.294 5.677 50 10 JKGE N#C/C(=C\c1cccn1-c1ccc(Br)cc1)C(=O)Nc1ccc(Cl)c(Cl)c1 1084360347 GXHCQCDAEOICEZ-JLHYYAGUSA-N 461.146 6.092 50 10 JKGE N#C/C(=C/c1ccc(OCc2ccc(Cl)cc2Cl)cc1)C(=O)Nc1ccccc1Cl 1084622098 JRMMVDSGJRVTKE-BOPFTXTBSA-N 457.744 6.771 50 10 JKGE COc1ccc([C@H]2C(C#N)=C3Sc4ccccc4N3C(N)=C2C(=O)c2ccccc2)cc1OC 1088719674 TXYVAEPBKGXWKK-QHCPKHFHSA-N 467.550 5.202 50 10 JKGE Cc1ccc2c(CC(=O)NN=C3CCCc4oc(C(=O)NCCC(C)C)c(C)c43)coc2c1C 1772751531 FIJOQMWGWUTVKI-UHFFFAOYSA-N 463.578 5.126 50 10 JKGE COc1ccc(-n2nc(-c3ccccc3)c3c2OC(N)=C(C#N)[C@H]3c2cccc3ccccc23)cc1 1865682342 MMDVWIVJXOMDFB-AREMUKBSSA-N 470.532 5.919 50 10 JKGE CCCCCOc1ccc([C@H]2C(C#N)=C(N)Oc3c2c(-c2ccccc2)nn3-c2ccc(C)cc2)cc1 1865690639 XRFKAPWWTSXMTN-MHZLTWQESA-N 490.607 6.635 50 10 JKGE Cn1nc(-c2ccccc2)c2c1OC(N)=C(C#N)[C@@H]2c1c(OCc2ccccc2)ccc2ccccc12 1865704604 ZTAYKGHGGUZLJO-HHHXNRCGSA-N 484.559 6.037 50 10 JKGE CCCn1nc(C(F)(F)F)c2c1OC(N)=C(C#N)[C@H]2c1ccc(N(CC)Cc2ccccc2)cc1 1865707013 LQDDWIKJMBXNBG-OAQYLSRUSA-N 481.522 5.557 50 10 JKGE COc1ccc([C@H]2C(C#N)=C(N)Oc3c2c(-c2ccccc2)nn3-c2ccc(Cl)cc2)c(OC)c1 1865707717 DKNFVSMHILGZEI-QHCPKHFHSA-N 484.943 5.428 50 10 JKGE COc1ccc(-c2nn(Cc3ccc(Cl)c(Cl)c3)c3c2[C@H](c2ccc[nH]2)C(C#N)=C(N)O3)cc1 1865710322 VHKCTORGSAOXLA-NRFANRHFSA-N 492.366 5.460 50 10 JKGE CCCC[C@H](NC(=O)C[C@H](c1ccc(Cl)cc1)C(C)C)C(=O)Nc1ccc(SC#N)cc1 1866761711 LRZFTCPHDKNPAN-GOTSBHOMSA-N 472.054 6.357 50 10 JKGE CC1(C)CN(c2cc(Nc3ccc(SC#N)cc3)nc(-c3ccc(Cl)cc3)n2)c2ccccc21 1868433568 NUZRJJIULXRYBQ-UHFFFAOYSA-N 484.028 7.543 50 10 JKGE CCc1cccc(C)c1N1C[C@@H](/C(O)=C(\C#N)c2nc(-c3cc(C)ccc3C)cs2)CC1=O 1872750074 VMEFOJRLRYYAQW-QXUWJFDOSA-N 457.599 6.144 50 10 JKGE N#C/C(=C(/O)c1ccc2c(c1)C(=O)N(Cc1ccco1)C2=O)c1nc(-c2cccs2)cs1 1872750461 JKDQWZXLPQHNTQ-JZJYNLBNSA-N 459.508 5.211 50 10 JKGE CCOc1cc(/C(O)=C(\C#N)c2nc(-c3ccc(F)c(F)c3)cs2)cc(OCC)c1OCC 1872751360 DKRCYUUBUKQUTO-JWGURIENSA-N 472.513 6.234 50 10 JKGE Cc1cc(C)c(C)c(-c2csc(/C(C#N)=C(O)/C=C/c3ccc(Cl)c(Cl)c3)n2)c1C 1872754112 CKIDIGJEDOHTMS-XUDNJAKISA-N 455.410 7.857 50 10 JKGE CC[C@@H](C)[C@@H](/C(O)=C(\C#N)c1nc(-c2c(C)cc(C)cc2C)cs1)N1C(=O)c2ccccc2C1=O 1872755928 MAGLMDXQMNZBKT-LGOOEFBYSA-N 485.609 6.239 50 10 JKGE COc1cc(Cl)c(C)cc1-c1csc(/C(C#N)=C(\O)[C@H]2CC(=O)N(Cc3ccccc3)C2)n1 1872756999 LTIPILZYUSHWIV-AOVJEQHFSA-N 479.989 5.622 50 10 JKGE CC(C)(CCl)N(Cc1ccccc1)c1ncc(I)cc1Br 1888098832 KMEVTVLCACSOPK-UHFFFAOYSA-N 479.587 5.473 50 10 JKGE O=C(c1ccc(Br)c(F)c1)N(Cc1ccccc1)[C@H](CBr)C1CC1 1915311839 HLRWQSGBCMCCKV-GOSISDBHSA-N 455.165 5.404 50 10 JKGE COc1csc([C@@H](Br)c2sc(Br)c(C)c2Br)c1 1922944284 YGNFHGQIMGIILV-SECBINFHSA-N 461.038 6.136 50 10 JKGE CCCCC1CCC([C@@H](Cl)c2c(Br)sc(Br)c2Cl)CC1 1923050326 SVJVMDXPICJSRV-RTYFJBAXSA-N 463.106 8.203 50 10 JKGE Clc1csc([C@@H](Cl)c2c(Br)sc(Br)c2Cl)c1Cl 1923054455 FVXLVGKPIGSXSH-YFKPBYRVSA-N 475.869 7.623 50 10 JKGE Cl[C@@H](c1c(Br)sc(Br)c1Br)C1Cc2ccccc2C1 1924597120 XSFTXRQLHJCFQY-GFCCVEGCSA-N 485.466 6.731 50 10 JKGE Brc1cccc(CC[C@@H](Br)COCc2ccccc2)c1Br 1934522470 GTQCLGDIQFMSNR-OAHLLOKOSA-N 477.034 6.125 50 10 JKGE FC(F)(F)[C@@H]1C[C@H]1[C@H](Br)c1c(Br)sc(Br)c1Cl 1950758127 RLZBHKBSRYVVQL-KUCRYNDESA-N 477.365 6.561 50 10 JKGE FCC1([C@H](Cl)c2c(Br)sc(Br)c2Br)CCC1 1979397571 WOMIDLUWMWHFMS-SSDOTTSWSA-N 455.412 6.455 50 10 JKGE CC1(C[C@@H](Br)c2c(Br)sc(Br)c2Cl)CCCC1 2003174201 BXLMADOMNFDOJK-SSDOTTSWSA-N 465.476 7.333 50 10 JKGE CCc1cc(Br)c([C@@H](Br)c2ccc(C)c(Br)c2)s1 2029232051 CTVLKJXQULPDAR-ZDUSSCGKSA-N 453.037 6.628 50 10 JKGE COc1ccc([C@@H](Br)c2csc(Br)c2Br)c(Cl)c1 2032958665 JJVRBONVTQGEJP-SNVBAGLBSA-N 475.427 6.419 50 10 JKGE O=C(NC[C@H]1CCCN(CCCCCCCCCBr)C1)OCc1ccccc1 2044695549 DUNWFOCTIODQGB-JOCHJYFZSA-N 453.465 5.750 50 10 JKGE FC(F)(F)[C@@H]1C[C@H]1C[C@H](Cl)c1c(Br)sc(Br)c1Br 2065504451 FHCRNGMJEXTYFY-LMVFSUKVSA-N 491.392 6.904 50 10 JKGE Fc1ccc(Cl)c([C@H](Br)c2ccc(Br)cc2Br)c1 2083337411 IRHMQNIVSYTCGW-CYBMUJFWSA-N 457.362 6.488 50 10 JKGE CCc1cc(Br)c([C@H](Cl)c2ccc(I)c(C)c2)s1 2086019295 JIDRKNFWMRZHDU-CYBMUJFWSA-N 455.586 6.314 50 10 JKGE CCn1ncc(Br)c1[C@H](Br)c1ccc(C)c(Br)c1C 2094274652 MVORIUDOHNZKRD-CYBMUJFWSA-N 451.000 5.529 50 10 JKGE CC12CC([C@H](Br)c3sc(Br)cc3Br)(C1)C1(CCC1)O2 2101241912 DDSBFJKUUUDLFH-PNESKVBLSA-N 471.052 6.201 50 10 JKGE CC1(C)CCC[C@H](Oc2c(Br)cc(CBr)cc2Br)C1 2107526012 YQARPVTZHAGPAP-NSHDSACASA-N 455.028 6.454 50 10 JKGE Cc1nn(C)c2sc([C@@H](Br)c3sc(Br)cc3Br)cc12 2118616998 WTDPBTSFDIETHA-SNVBAGLBSA-N 485.064 6.014 50 10 JKGE CCN(C[C@](C)(CI)OC[C@H]1C[C@H]1c1ccccc1)C(=O)OC(C)(C)C 2135979136 GQPMORXWWIWVJX-LQWHRVPQSA-N 473.395 5.257 50 10 JKGE Cc1cc(Br)c(C)c([C@@H](Br)CC2CC(C)(C)C2)c1Br 2136373364 BCZLCGJLQGFTLV-ZDUSSCGKSA-N 453.056 7.091 50 10 JKGE COc1cc(Br)ccc1[C@@H](Br)c1c(Br)sc(C)c1C 2138265571 AADALIPGMLGHPA-CYBMUJFWSA-N 469.036 6.383 50 10 JKGE Cc1ccc(Br)c([C@H](Cl)c2ccc(Br)c(C)c2Br)c1 2138862779 KPHQIMMJEFCITL-OAHLLOKOSA-N 467.426 6.919 50 10 JKGE Brc1ccc([C@H](Br)c2ccc3c(c2)CCO3)c(I)c1 2142287527 NHCFSRZSXAZKIK-OAHLLOKOSA-N 493.964 5.473 50 10 JKGE CC1(C)CC[C@@H](CBr)N(Cc2ccc(I)c(Cl)c2)C1 2142949961 NSJDELWUKUOLKB-LBPRGKRZSA-N 456.593 5.330 50 10 JKGE CC(C)(C)OC(=O)N[C@@H](C[S@](C)(=O)=NCC1(CBr)CCCCC1)C(C)(C)C 2163061917 IYFDILYBZYTSHH-OQRWROFFSA-N 467.514 5.369 50 10 JKGE COc1ccc(C[C@H](Br)c2ccc(F)cc2I)cc1F 2168403086 LFVJIYMOQOMZLN-LBPRGKRZSA-N 453.064 5.257 50 10 JKGE O=S(=O)(c1ccc(CCBr)cc1)N(Cc1ccccc1)CC1CCCCC1 2179789010 KLEPLHSYSJWIHK-UHFFFAOYSA-N 450.442 5.395 50 10 JKGE Cc1cc(Br)c(C)c([C@@H](Br)[C@@H]2CC23CCCCC3)c1Br 2201069482 CXQNQSVKAFNYOR-LRDDRELGSA-N 465.067 7.235 50 10 JKGE Cc1cc(Br)c(C)c([C@H](Br)C[C@@H](C)CC(C)(C)C)c1Br 2201070612 NURJFLSGQJXLAV-QMTHXVAHSA-N 469.099 7.727 50 10 JKGE C[C@]1(CC(CBr)(CBr)c2ccccc2Br)CSCCO1 2201226713 IYQRFGWAEVLVMX-AWEZNQCLSA-N 487.095 5.389 50 10 JKGE COc1ccc([C@@H](Br)c2ccc(F)cc2I)c(Cl)c1Cl 2203433951 UMGJSOLUOSWMHQ-LBPRGKRZSA-N 489.937 6.230 50 10 JKGE COc1cc(Cl)ccc1[C@H](Br)c1ccc(Br)c(C)c1Br 2203681591 AIIMCGOSHJUYKM-HNNXBMFYSA-N 483.425 6.666 50 10 JKGE Cc1ccc(I)c([C@@H](Cl)c2cc(Br)c(Cl)s2)c1 2217422301 GADQUGQNWZAFPO-LLVKDONJSA-N 461.977 6.405 50 10 JKGE C[C@@H](CN(C)Cc1ccccc1)n1c(CCl)nc2cc(Br)c(Br)cc21 2218659785 NZWPUCZKZAKOLD-ZDUSSCGKSA-N 485.651 5.993 50 10 JKGE Cc1c(Br)csc1[C@@H](Br)[C@@H](C)c1ccncc1Br 2219005193 KTMCPNNEFCJZMX-MADCSZMMSA-N 454.025 6.216 50 10 JKGE CCOCc1cc(Br)c([C@H](Br)c2cc(C)c(Br)s2)s1 2224785077 ZUGOITKAEBQQFN-LLVKDONJSA-N 489.092 6.664 50 10 JKGE Cc1cc(Br)c([C@H](Br)[C@@H]2C[C@@]2(C)C(F)F)c(C)c1Br 2227350653 ILHHMAYYRHMPRC-REAQECSSSA-N 460.982 6.556 50 10 JKGE CCCC[C@@H](C)CC[C@@H](Br)c1c(Br)cc(Cl)c(Cl)c1Cl 2232518152 ABPMLKZESCTRAO-NXEZZACHSA-N 465.484 8.452 50 10 JKGE Cc1cc(Br)c([C@H](Br)c2ccc(Br)c(F)c2)c(C)c1Cl 2232526139 GOLRZZBUWYTFMI-CQSZACIVSA-N 485.416 7.105 50 10 JKGE Cc1cc(Br)ccc1[C@H](Br)c1ccc2c(c1Br)CCO2 2238077220 RFRACZALAUTIEY-HNNXBMFYSA-N 460.991 5.939 50 10 JKGE Cc1cc([C@@H](Cl)c2ccc(Cl)c(I)c2)sc1Br 2248213567 FSMPZCZOUVRDHM-NSHDSACASA-N 461.977 6.405 50 10 JKGE Cc1cc([C@@H](Br)c2cc(Cl)c(Cl)cc2C)ccc1I 2264364093 CEOZUDRKSQRUSL-OAHLLOKOSA-N 469.975 6.699 50 10 JKGE COc1cc([C@H](Br)c2cc(Br)co2)c(OC)cc1Br 2270465012 SPHPFXIZRCZTNZ-ZDUSSCGKSA-N 454.940 5.306 50 10 JKGE C[C@@H]1Cc2cc(Br)cc([C@@H](Br)c3cc(Br)co3)c2O1 2270493149 ZWIVURVLILYKLD-FUXBKTLASA-N 450.952 5.612 50 10 JKGE COc1cc(OC)c([C@@H](Br)c2cc(Br)co2)cc1Br 2278032338 QXSFWRRWNWKWJU-CYBMUJFWSA-N 454.940 5.306 50 10 JKGE CC[C@H](Br)[C@@H]1CCCCN1C(=O)c1ccc(Cl)c(I)c1 2283664737 RYXZTQRKVPDWNL-FZMZJTMJSA-N 470.576 5.113 50 10 JKGE CC[C@H](C)c1ccc(OCCOc2ccc(Cl)cc2C=C(C#N)C(=O)Nc2ccc(C)cc2)cc1 2294593196 DRASBRCUUJDBGY-NRFANRHFSA-N 489.015 7.165 50 10 JKGE COc1ccc(C)cc1[C@H](Br)Cc1cc(Br)cc(Br)c1 2295275302 TUAASMCIUMXGBS-OAHLLOKOSA-N 463.007 6.207 50 10 JKGE CCOc1cc(C=C(C#N)C(=O)Nc2sc(C(C)C)cc2C(=O)OC)cc(Br)c1O 2295669966 RHEKSQLHNKTCPF-UHFFFAOYSA-N 493.379 5.071 50 10 JKGE CCOc1cc(C=C(C#N)C(=O)Nc2cccc(C(F)(F)F)c2)ccc1OC(=O)c1ccc(C)cc1 2295672370 RHUBOPDAWGQYAP-UHFFFAOYSA-N 494.469 6.177 50 10 JKGE COc1ccc(-c2csc(C(C#N)=CNc3ccc(Oc4ccccc4)cc3)n2)cc1OC 2296800814 XMZVGFBIAYRKAM-UHFFFAOYSA-N 455.539 6.596 50 10 JKGE CCOC(=O)c1c(NC=C(C#N)c2nc(-c3cccc4ccccc34)cs2)sc(C(C)=O)c1C 2297466765 VGOIGWXKWCNEFF-UHFFFAOYSA-N 487.606 6.689 50 10 JKGE COc1cc(C=C(C#N)C(=O)Nc2nc3ccccc3s2)cc(Cl)c1OCc1ccc(C)cc1 2297500337 GFFWCLMQFKBTOB-UHFFFAOYSA-N 489.984 6.391 50 10 JKGE Brc1cc(Br)cc(CO[C@H]2CCCC[C@H]2I)c1 2300174272 ORYIVKUIRMEZEY-OLZOCXBDSA-N 473.974 5.474 50 10 JKGE Brc1ccc(I)cc1CO[C@H]1CCCC[C@@H]1Br 2302814079 MQCYPTUPLWFGBF-STQMWFEESA-N 473.974 5.276 50 10 JKGE Clc1ccc(I)cc1CC(CBr)(CBr)C1CC1 2307329682 DFIWFQCHRXKXLR-UHFFFAOYSA-N 492.420 5.673 50 10 JKGE FC(F)(F)[C@H]1C[C@@H]([C@H](Br)c2sc(Br)cc2Br)C1 2307507364 CNQXLGFWRGNUBU-UUEMRFSQSA-N 456.947 6.298 50 10 JKGE Clc1c(Br)sc(Br)c1[C@@H](Br)[C@@H]1CC[C@@H]2C[C@H]1CO2 2312748345 PMLSUYQBQGNNEY-SZACMFPPSA-N 479.459 6.178 50 10 JKGE FC1(F)[C@@H]2CC[C@@H]([C@H](Br)c3ccc(OCc4ccccc4)cc3Br)[C@@H]21 2314439343 GSPSZTOLPIFURF-ZAWLATJESA-N 472.167 6.755 50 10 JKGE Cc1cc([C@@H](Br)c2ccc(OCc3ccccc3)cc2Br)ccc1Cl 2314448788 KNYBSMPYWSXFQF-OAQYLSRUSA-N 480.627 7.474 50 10 JKGE Cc1ccc(NC(=O)C(C#N)=C2S[C@@H](Cc3ccccc3)C(=O)N2c2ccc(C(C)C)cc2)cc1 2314591951 ILNGDGCGVOFVNC-SANMLTNESA-N 481.621 6.183 50 10 JKGE C=CCNC(=O)C(C#N)=C1S[C@@H](Cc2cccc(C(F)(F)F)c2)C(=O)N1c1ccc(C)c(C)c1 2314593625 QBHAISPWSVENBW-NRFANRHFSA-N 485.531 5.051 50 10 JKGE CCc1ccc(N2C(=O)[C@H](Cc3cccc(C)c3)SC2=C(C#N)C(=O)N[C@H](C)c2ccccc2)cc1 2314593741 SEARXAHBGBJZDZ-ZBLYBZFDSA-N 495.648 5.861 50 10 JKGE CCOc1ccc(CCC(=O)Oc2ccc(C=C(C#N)c3ccc(Cl)cc3)cc2OC)cc1OC 2314790218 MDMQGCAMCMQTCO-UHFFFAOYSA-N 491.971 6.358 50 10 JKGE Clc1cc(I)c([C@H](Br)C2CC3(C2)CC32CCC2)s1 2316769838 CSRWTONVRDICMM-IYXOAMITSA-N 457.602 6.413 50 10 JKGE CC(C)[C@@H](Br)C(C)(C)NC(=O)c1scc(Br)c1Br 2318059711 PCOUMHLASCMIRM-SNVBAGLBSA-N 462.045 5.201 50 10 JKGE Ic1cccc(CO[C@H]2CCCCCC[C@@H]2I)c1 2319029842 KODKSSWYVASANN-GJZGRUSLSA-N 470.132 5.334 50 10 JKGE COc1cc(C=NNC(=O)c2c(C)ccc3ccccc23)ccc1OCc1cc(C)ccc1C 2323674799 BMIFMBPTGULPQF-UHFFFAOYSA-N 452.554 6.117 50 10 JKGE CC(C)(CI)CN1C[C@H](NC(=O)OC(C)(C)C)CC12CCCCCC2 2326665712 BQLBRYGFABHWER-MRXNPFEDSA-N 464.432 5.140 50 10 JKGE CSCC[C@H](NC(=O)OC(C)(C)C)C(=O)NN=Cc1ccccc1OCc1ccc(Cl)cc1 2328826154 LKVVJEVEGCKBCO-FQEVSTJZSA-N 492.041 5.016 50 10 JKGE COc1cc(C=C(C#N)c2nc(O)c3ccccc3n2)ccc1OCc1ccc(C(C)(C)C)cc1 2331030121 VGBYAZHAIQHATR-UHFFFAOYSA-N 465.553 6.285 50 10 JKGE COc1ccc(Cl)cc1-c1csc(C(C#N)=C(O)CN2C(=O)COc3ccc(Cl)cc32)n1 2331411741 IGUDCQOFMOQQOH-UHFFFAOYSA-N 488.352 5.344 50 10 JKGE CCN(Cc1ccccc1)c1ccc(C=C(C#N)c2nc(-c3cc(C)ccc3OC)cs2)cc1 2331449399 WDZDYNVUIGRXBK-UHFFFAOYSA-N 465.622 7.218 50 10 JKGE Cn1cc(Br)c([C@@H](Cl)c2c(F)cc(Cl)c(Br)c2Cl)n1 2335371668 OLQPCTOVCNXVSZ-JTQLQIEISA-N 451.348 5.719 50 10 JKGE COc1ccc([C@@H](Br)c2sc(Cl)cc2I)c(OC)c1 2338631510 XQJNKYWJDLWODJ-GFCCVEGCSA-N 473.557 5.508 50 10 JKGE COc1c(Br)cc(C)c([C@H](Cl)c2occc2Br)c1Br 2339638567 CDIIQNMEXWMCOO-NSHDSACASA-N 473.386 6.212 50 10 JKGE COc1c(Br)cc(C)c([C@H](Br)[C@@H](F)C(F)(F)F)c1Br 2339655110 CODCFCVGRMOBMO-WCBMZHEXSA-N 472.896 5.865 50 10 JKGE CC[C@H](C(C)C)[C@H](Br)c1c(C)cc(Br)c(OC)c1Br 2339657570 ZFGPZJFTYMAGTC-MFKMUULPSA-N 457.044 6.647 50 10 JKGE Brc1cccc(Br)c1CO[C@H]1C[C@@H](Br)C12CCCC2 2340607326 TZWKXVLXNRNMRU-KGLIPLIRSA-N 453.012 5.824 50 10 JKGE CCN(C[C@](C)(CI)OCc1cccnc1C(C)C)C(=O)OC(C)(C)C 2342160190 HYHRPEKKOVFZRL-FQEVSTJZSA-N 476.399 5.172 50 10 JKGE CC1CCC([C@@H](CCl)Nc2ncc(I)cc2Br)CC1 2351581020 FLLZZOCOGNOMAV-SRHKJQAYSA-N 457.581 5.294 50 10 JKGE CC1(C)CCC[C@@](CBr)(Cc2cc(I)ccc2Cl)O1 2352346913 NKZKZQFZBOXUFA-HNNXBMFYSA-N 457.577 5.600 50 10 JKGE Clc1ccc(I)cc1CN1CC[C@@H]2CC[C@@H](Br)[C@H]1C2 2352428646 XLPLIXSIKPHQNS-PSOPSSQASA-N 454.577 5.083 50 10 JKGE CCCc1sc(Br)cc1[C@@H](Cl)Cc1ccc(Br)cc1Cl 2363253230 CIQIDGBIKZUEMP-ZDUSSCGKSA-N 457.058 7.402 50 10 JKGE COc1c(Br)cc(C)c([C@H](Br)c2ccc(Cl)cc2)c1Br 2365229955 GBPMUKVVVYFSNP-CYBMUJFWSA-N 483.425 6.666 50 10 JKGE O=C(N[C@@H](CCBr)COCc1ccccc1)c1cc(C(F)(F)F)ccc1Cl 2369432533 DSAIEOSPZUYNPJ-HNNXBMFYSA-N 464.709 5.459 50 10 JKGE FC(F)(F)[C@H]1[C@H](Br)CCCN1Cc1ccc(I)c(Cl)c1 2370297201 MMMRXMUBOWDGEW-BXKDBHETSA-N 482.509 5.235 50 10 JKGE Brc1cnc(N2CC[C@@H](C3CCC(Br)CC3)C2)c(Br)c1 2381252392 ALOPULPCUCERJH-MOENNCHZSA-N 467.043 5.387 50 10 JKGE COc1ccc(/C=N/NC(=O)C(CC(=O)c2ccccc2)=C(C)C)cc1CN1CCCc2ccccc21 3064555 KUWDDRLHBFKYCV-UZWMFBFFSA-N 495.623 5.708 50 10 JKGE CCCCCOc1ccc(/C=N/NC(=O)COc2ccc3ccccc3c2Br)cc1 3657503 JHKCHPLJFHSBAF-WGOQTCKBSA-N 469.379 5.700 50 10 JKGE Cc1ccc2nc(N(/N=C/c3cccs3)C(=O)c3ccc(N4C(=O)CCC4=O)cc3)sc2c1 9149362 SWRQCBBJLQBJFJ-AFUMVMLFSA-N 474.567 5.001 50 10 JKGE Cc1ccc(-c2ccc(/C=N/NC(=O)Cc3cccc(C(F)(F)F)c3)o2)c(Br)c1 33624112 WGTMYAOKEJXTAY-RPPGKUMJSA-N 465.269 5.729 50 10 JKGE CCCCOc1cccc(-c2nn(-c3ccccc3)cc2/C=C(\C#N)S(=O)(=O)c2ccccc2)c1 35446838 RPIUEWKZSPGWAL-ZXVVBBHZSA-N 483.593 6.057 50 10 JKGE CCCCCN1C(=O)/C(=N/NC(=O)c2cc(-c3ccccc3)nc3ccccc23)c2cc(OC)ccc21 38180360 XJSQJUSGBMKHDU-VEWQFJOQSA-N 492.579 5.581 50 10 JKGE CCc1ccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)COc4cccc(C)c4C)ccc32)cc1 38677430 WLMJRPUZPSMHBN-HHHXNRCGSA-N 454.526 5.068 50 10 JKGE COc1c(Cl)cc(C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@@H]3c2ccccc2F)cc1Cl 38687963 FPWLZQYWESROHL-OAQYLSRUSA-N 485.298 5.578 50 10 JKGE CCCOc1ccccc1[C@@H]1C(C#N)=C(N)Oc2cc(OC(=O)c3oc4ccccc4c3C)ccc21 38700637 YCZUHBKSALZXAS-SANMLTNESA-N 480.520 5.967 50 10 JKGE N#C/C(=C\c1ccc(-c2c(Cl)cccc2Cl)o1)C(=O)Nc1ccc(OC(F)(F)F)cc1 39884768 XBXIZNBJQDSVLM-ZRDIBKRKSA-N 467.230 6.698 50 10 JKGE N#CC1=C(N)OC2=C(C(=O)C[C@H](c3ccc(Cl)cc3)C2)[C@@H]1c1cccc(Br)c1 58929639 PXQIMCPSIATVKY-VBKZILBWSA-N 455.739 5.311 50 10 JKGE C=CCOc1cc(Cl)c(/C=C2/S/C(=N\c3ccc(SC#N)cc3)NC2=O)cc1OC 96577033 MPSCWZPUVXWLAP-VXLYETTFSA-N 457.964 5.378 50 10 JKGE CC(C)(C)c1ccc(Oc2nc3ccccn3c(=O)c2/C=C(/C#N)C(=O)NCCc2ccccc2)cc1 102682526 GJKCEYSXFIIFLC-QOCHGBHMSA-N 492.579 5.050 50 10 JKGE CCOc1ccc(NC(=O)/C(C#N)=C\c2c(Oc3cccc(C)c3C)nc3ccccn3c2=O)cc1 102683966 NVVDDNZMGWBDRQ-SILNSSARSA-N 480.524 5.048 50 10 JKGE CCOc1ccc(Br)cc1[C@@H](Br)c1ccc(Br)s1 109871585 LWBZVSKAGSNBRL-CYBMUJFWSA-N 455.009 6.156 50 10 JKGE Cc1c(Br)cccc1[C@@H](Cl)c1cc(Br)ccc1Br 115161272 GTMZYKSNHVYZBI-CQSZACIVSA-N 453.399 6.611 50 10 JKGE BrC[C@H](CCOc1ccc(Br)cc1)c1ccccc1Br 118867505 NOUWIFLPCYFSKH-LBPRGKRZSA-N 463.007 6.159 50 10 JKGE Fc1ccc([C@@H](Br)c2ccc(Br)c(Cl)c2)cc1Br 148986679 AYMVRIOXHBLZLP-CYBMUJFWSA-N 457.362 6.488 50 10 JKGE CCOc1ccc(C)cc1[C@@H](Br)c1cc(Br)ccc1Br 161099041 ZYLVACDXFUGDRI-INIZCTEOSA-N 463.007 6.403 50 10 JKGE Fc1ccc([C@@H](Br)c2csc3c(Br)cccc23)c(Br)c1 163513420 XJTCAXRUXHTRIO-CQSZACIVSA-N 479.006 7.050 50 10 JKGE CCCCCCOc1ccc(/C=C(/C#N)C(=O)Nc2ccc(C(=O)OCCOCC)cc2)cc1OC 206237362 WPIQSULDZAGCGV-NKFKGCMQSA-N 494.588 5.393 50 10 JKGE Clc1sc([C@H](Br)c2cccc(I)c2)cc1Br 227845466 FIBSBCZMKFHFSM-SNVBAGLBSA-N 492.401 6.253 50 10 JKGE Cc1cc([C@@H](Br)c2ccc(Br)cc2C(F)(F)F)sc1Br 229518738 SCWRAKXGTMMCJX-NSHDSACASA-N 492.980 7.085 50 10 JKGE CCOc1ccc(Br)cc1[C@@H](Cl)c1ccc(Br)cc1Br 233780267 JUPGEXHVQVFFPY-HNNXBMFYSA-N 483.425 6.701 50 10 JKGE C[C@@H](c1ccccn1)[C@@H](Br)c1cc(Br)ccc1I 235549267 WDVPUCLMBMMLOR-LKFCYVNXSA-N 480.969 5.688 50 10 JKGE Cc1cccc(C[C@@H](Br)c2cc(Br)ccc2I)c1 235889549 QUQZAFLOPDQOHE-CQSZACIVSA-N 479.981 6.041 50 10 JKGE CC(CC(=O)Nc1ccccc1-c1ccccc1)=NNC(=O)c1ccc([N+](=O)[O-])c(Cl)c1 252622711 OAZYKEDHJANUPL-UHFFFAOYSA-N 450.882 5.050 50 10 JKGE FC(F)(F)c1csc([C@@H](Cl)c2cc(Br)ccc2Cl)c1Br 312358574 JRYYMYPAULOOFN-JTQLQIEISA-N 468.947 7.274 50 10 JKGE C[C@H](Cl)c1nc2cc(I)ccc2n1[C@H](C)[C@@H]1CCN(Cc2ccccc2)C1 312489219 JVHCXOHSYRQLHH-LZLYRXPVSA-N 493.820 6.024 50 10 JKGE BrCC(CBr)(CCC1CCOCC1)c1ccc(Br)cc1 313567990 QXYQGLQJVIVUPZ-UHFFFAOYSA-N 469.055 5.684 50 10 JKGE C[C@H](Cl)c1nc2cc(I)ccc2n1CC[C@H](C)N(C)Cc1ccccc1 379621284 UKHRKRBSQLECMF-HOTGVXAUSA-N 481.809 5.851 50 10 JKGE Cc1nc(C)c(CC(CBr)(CBr)c2cccc(Br)c2)s1 692029464 SQXDOACLEVETKL-UHFFFAOYSA-N 482.079 5.793 50 10 JKGE Fc1ccc([C@@H](Cl)c2scc(Br)c2Br)cc1Br 705421015 VUXQFINJZFZUPM-SNVBAGLBSA-N 463.391 6.503 50 10 JKGE C[C@H]1CN(Cc2ccccc2)C[C@H]1Cn1c(CCCl)nc2cc(I)ccc21 708576072 VHCOPMZQABAWJN-WMZOPIPTSA-N 493.820 5.190 50 10 JKGE Cc1ccc([C@@H](Br)c2ccc(I)c(Br)c2)c(C)c1 721594224 OAQRUIJWJOQQLY-HNNXBMFYSA-N 479.981 6.155 50 10 JKGE Cc1ccc(Cl)cc1NC(=O)/C(C#N)=C\c1cc(Cl)ccc1OCc1cccc(F)c1 1083998474 PJDGOCIKOGIRAG-ZDLGFXPLSA-N 455.316 6.566 50 10 JKGE C=CCc1cc(/C=C(\C#N)C(=O)N2CCN(c3ccccc3)CC2)ccc1OCc1ccc(F)cc1 1084112286 PNVHXYKCWKPMOC-LHLOQNFPSA-N 481.571 5.389 50 10 JKGE CCOc1cc(/C=C(\C#N)C(=O)NCCc2c[nH]c3ccccc23)ccc1OCc1ccc(C)cc1 1084120396 KIIVAWXPNIXCLO-PCLIKHOPSA-N 479.580 5.720 50 10 JKGE CCc1ccc(OCC(=O)NN=Cc2cccc(OCc3ccccc3)c2)c(Br)c1 1084346119 SHZJUSBDIGUEGK-UHFFFAOYSA-N 467.363 5.120 50 10 JKGE O=C(NN=Cc1cccc(OCc2c(Cl)cccc2Cl)c1)C(=O)Nc1cccc(Cl)c1 1084432702 PZPUQVODEGJRME-UHFFFAOYSA-N 476.747 5.315 50 10 JKGE O=C(OCc1ccccc1)N1C[C@@H](CCl)[C@@H](c2cc(C(F)(F)F)cc(C(F)(F)F)c2)C1 1614613651 FYEUYEROESPXHA-CRAIPNDOSA-N 465.821 6.315 50 10 JKGE COc1ccccc1C(=O)NN=C1CCCc2oc(C(=O)Nc3ccccc3Br)c(C)c21 1772745917 KRGBEVFJUZKIBP-UHFFFAOYSA-N 496.361 5.082 50 10 JKGE COc1ccc(-c2nn(Cc3ccc(F)cc3)c3c2[C@H](c2cccc(Cl)c2)C(C#N)=C(N)O3)cc1 1865683472 FHQMTOPDTACOFK-HSZRJFAPSA-N 486.934 5.618 50 10 JKGE COc1ccc(-c2nn(-c3ccc(C)cc3)c3c2[C@@H](c2cccc(Cl)c2)C(C#N)=C(N)O3)cc1 1865683713 NNFBJRQJHZVTCO-QHCPKHFHSA-N 468.944 5.728 50 10 JKGE CCc1nn(Cc2cc(C)ccc2C)c2c1[C@H](c1ccc(Cl)cc1Cl)C(C#N)=C(N)O2 1865686215 SEMZDJWLVSZYTE-OAQYLSRUSA-N 453.373 5.636 50 10 JKGE CCOc1ccc([C@@H]2C(C#N)=C(N)Oc3c2c(-c2ccccc2)nn3-c2ccc(OC)cc2)cc1 1865693195 IDFQIKLIOUEECJ-XMMPIXPASA-N 464.525 5.165 50 10 JKGE CCCc1nn(Cc2ccccc2Cl)c2c1[C@H](c1cc(Br)ccc1O)C(C#N)=C(N)O2 1865696833 RDZFENWJKRGLDN-HXUWFJFHSA-N 499.796 5.224 50 10 JKGE N#C/C(=C\c1ccc(Br)cc1)C(=O)Nc1cc(Cl)ccc1Oc1ccccc1 1866129005 XVQNZHDKZHABGZ-FOWTUZBSSA-N 453.723 6.440 50 10 JKGE COc1ccc([C@@H](C(=O)N[C@@H](CCSC)C(=O)Nc2ccc(SC#N)cc2)C2CCCC2)cc1 1867014872 ZUVQSPVXDFVFOT-ZEQRLZLVSA-N 497.686 5.419 50 10 JKGE CCc1nc(Nc2ccc(SC#N)cc2)cc(N2CCC[C@@H]2c2ccc(C(C)(C)C)cc2)n1 1868277992 OLSKJPVCUOGBTC-HSZRJFAPSA-N 457.647 6.995 50 10 JKGE CC(C)(C)c1ccc(-c2csc(/C(C#N)=C(\O)CNC(=O)c3ccc(Cl)cc3Cl)n2)cc1 1872751172 UUCGFMZZPSLAED-UZYVYHOESA-N 486.424 6.637 50 10 JKGE COc1ccc(-c2csc(/C(C#N)=C(\O)c3ccccc3I)n2)c(OC)c1 1872755238 DVWBCMCIECLSQQ-CYVLTUHYSA-N 490.322 5.382 50 10 JKGE COc1ccc(-c2csc(/C(C#N)=C(\O)c3ccc(N4CCCC4)c([N+](=O)[O-])c3)n2)cc1Cl 1872757772 VWAGKOHGFAQIRB-JWGURIENSA-N 482.949 5.930 50 10 JKGE N#C/C(=C\c1ccc(OCc2ccc(Cl)cc2)cc1)c1nc(-c2ccc(Cl)cc2)cs1 1872789955 ANQDZQPQIQZQLZ-DEDYPNTBSA-N 463.389 7.760 50 10 JKGE CCOc1cc(/C=C(\C#N)c2nc(-c3ccc(C)cc3)cs2)ccc1OCc1ccccc1 1872790701 ZYSXOTSKOIQJLT-BUVRLJJBSA-N 452.579 7.160 50 10 JKGE CCCOc1ccc(-c2csc(/C(C#N)=C/c3ccc(OCc4ccccc4)c(OC)c3)n2)cc1 1872790739 BYTQOMYOUMEASA-LFVJCYFKSA-N 482.605 7.251 50 10 JKGE COc1cc(/C=C(\C#N)c2nc(-c3ccc(F)c(C)c3)cs2)ccc1OCc1ccccc1 1872791049 SZSPVCQYCDZMJS-LPYMAVHISA-N 456.542 6.909 50 10 JKGE CC[C@@H](Cl)CN(Cc1ccccc1)c1ncc(I)cc1Br 1888099297 RJADKGRDRRKGAE-CYBMUJFWSA-N 479.587 5.473 50 10 JKGE Cc1scc(C(=O)N(Cc2ccccc2)[C@H](CBr)C(C)C)c1Br 1902871525 LAQYGUNHMNNCSF-MRXNPFEDSA-N 459.247 5.881 50 10 JKGE CCOc1ccc([C@@H](Br)c2c(C)nsc2Br)c(Br)c1 1912974690 KPAXMJHAMPTIDF-GFCCVEGCSA-N 470.024 5.860 50 10 JKGE Cc1cc(Br)c(F)c(C(=O)N(Cc2ccccc2)C(C)(C)CBr)c1 1915738964 HRSPFKYJHZMBSY-UHFFFAOYSA-N 457.181 5.713 50 10 JKGE CC(C)(C)c1ccccc1[C@H](Br)c1sc(Br)cc1Br 1922954264 MHJXYPXHWIJFLB-ZDUSSCGKSA-N 467.064 7.055 50 10 JKGE Clc1cccc(Cl)c1[C@H](Cl)c1c(Br)sc(Br)c1Cl 1923041094 YPSXQXPUMKPYHY-QMMMGPOBSA-N 469.840 7.562 50 10 JKGE Clc1c(Br)sc(Br)c1[C@H](Br)C[C@@H]1CCOC1 1923050445 VJBCCLNWNHRPHF-NTSWFWBYSA-N 453.421 5.789 50 10 JKGE Fc1ccccc1C[C@H](Cl)c1c(Br)sc(Br)c1Br 1924586560 ZFOUKKCEXFYMSB-ZETCQYMHSA-N 477.418 6.697 50 10 JKGE Fc1cc([C@H](Cl)c2c(Br)sc(Br)c2Br)cc(F)c1F 1924600492 QQNHCMQWBQROHC-QMMMGPOBSA-N 499.371 6.781 50 10 JKGE FC(F)Oc1cccc([C@@H](Br)c2c(Cl)sc(Br)c2Cl)c1 1925597265 CJLAMCIDYNHECY-MRVPVSSYSA-N 466.956 6.903 50 10 JKGE Cn1cc(Br)c([C@@H](Br)c2c(Cl)sc(Br)c2Cl)n1 1925615852 CDKXSXCFQJXFCU-YFKPBYRVSA-N 483.838 5.798 50 10 JKGE Cc1ccnc(C(=O)N(Cc2ccccc2)C2(CBr)CCC2)c1Br 1927092817 VJOLHBDMYXLEOY-UHFFFAOYSA-N 452.190 5.113 50 10 JKGE Fc1cc(Cl)c(Br)cc1[C@H](Cl)c1cc(Br)c(Br)s1 2036574790 BKJVQDQDSBFGGD-JTQLQIEISA-N 497.836 7.156 50 10 JKGE Fc1cc(Br)ccc1C[C@H](Br)c1sc(Cl)cc1Br 2036942909 ZWZQYBYGXZZKJM-QMMMGPOBSA-N 477.418 6.744 50 10 JKGE CC1(C)CCC2(CC1)CC(O[C@H]1CN(C(=O)OC(C)(C)C)C[C@@H]1I)C2 2073144728 RVDQUUBZPBXMJO-HOTGVXAUSA-N 463.400 5.175 50 10 JKGE CCOc1ccc([C@H](Br)c2ccc(Br)cc2Br)s1 2086382204 SMPSDQFDDNIAEQ-CYBMUJFWSA-N 455.009 6.156 50 10 JKGE Fc1cc(Cl)c(Br)cc1[C@H](Br)Cc1cccc(Br)c1 2097833552 DGCUUNUJBUFHEK-LLVKDONJSA-N 471.389 6.683 50 10 JKGE Fc1cc(Cl)c(Br)cc1[C@H](Br)c1ccc(Cl)cc1Br 2097834225 JOYRUVSLZOISMI-CYBMUJFWSA-N 491.807 7.142 50 10 JKGE Cc1cc([C@H](Br)c2cc(Cl)c(Cl)c(Cl)c2Cl)c(Br)s1 2101000299 BCKYWQUMLLHIJR-MRVPVSSYSA-N 483.867 7.917 50 10 JKGE Cc1c(Br)ccc([C@H](Br)[C@@H]2[C@H](C)O[C@H](C)[C@@H]2C)c1Br 2138853992 RNSGQTPSXURTSC-XDRQVNEASA-N 455.028 6.016 50 10 JKGE FC(F)(F)c1sccc1[C@H](Br)c1ccc(Br)cc1Br 2138865874 RWECKYQAIPAQSG-SNVBAGLBSA-N 478.953 6.776 50 10 JKGE C[C@H](Cl)c1nc2cc(I)ccc2n1[C@@H]1CCOC[C@H]1OCc1ccccc1 2146523636 PPOVZIPHUIBOJC-VHKYSDTDSA-N 496.776 5.488 50 10 JKGE O=C(NC[C@H](Br)c1ccccc1)c1c(Br)cccc1Br 2150491827 UHEXCRNCKKASCG-ZDUSSCGKSA-N 461.979 5.078 50 10 JKGE CC(C)Cc1ccc([C@@H](Br)c2c(Br)cccc2Br)cc1 2150494685 SEPAVLNHHZZKRC-QGZVFWFLSA-N 461.035 6.894 50 10 JKGE CC(C)(C)OC(=O)NC[C@]1(C(F)(F)F)CCCN1CC1(CBr)CCCCC1 2163063618 QODVKZLTMDEMCI-SFHVURJKSA-N 457.375 5.253 50 10 JKGE O=C(NC[C@@H]1CCCC[C@H](Br)C1)c1cc(Br)ccc1Br 2163746354 RDJCZNJXRXXDGG-MNOVXSKESA-N 468.027 5.285 50 10 JKGE CCOc1cc(Br)c([C@@H](Br)C2(Br)CCC2)cc1OCC 2168169328 OSUGZDWKCRAAEH-CQSZACIVSA-N 471.027 6.000 50 10 JKGE Clc1cccc(Br)c1[C@H](Br)c1cc(Br)cc2c1OCC2 2169461072 HGGXANMPJHDIMS-CQSZACIVSA-N 481.409 6.284 50 10 JKGE CCOc1ccc(Br)cc1[C@H](Cl)c1cc(I)ccc1F 2169667727 IPWBYSAHNGZUBI-OAHLLOKOSA-N 469.519 5.920 50 10 JKGE CCc1ccc(S(=O)(=O)N(Cc2ccccc2)Cc2cccs2)cc1CBr 2179861412 HABGVJKGLQISFM-UHFFFAOYSA-N 464.450 5.597 50 10 JKGE Cc1cc(Br)c(C)c([C@@H](Cl)c2c(F)cccc2Br)c1Br 2201080049 WBYWEESLCTVLRD-OAHLLOKOSA-N 485.416 7.058 50 10 JKGE COc1cc(F)c([C@@H](Br)c2c(C)cccc2Br)cc1Br 2202904820 XIIDLRTWPHGJKR-OAHLLOKOSA-N 466.970 6.152 50 10 JKGE Clc1ccc(Oc2nc3sccn3c2CBr)c(Br)c1Cl 2206352504 CLNWVLQKQTVFLL-UHFFFAOYSA-N 456.974 6.152 50 10 JKGE ClC[C@H](Cc1ccc(I)c(Cl)c1)Cc1ccccc1Br 2208044477 MLDKMUNUXMQRRH-GFCCVEGCSA-N 484.002 6.347 50 10 JKGE Cc1c(Br)sc([C@H](Cl)c2cc(Br)c(Br)s2)c1C 2213623840 GKFXYKCATSOXEL-MRVPVSSYSA-N 479.484 7.042 50 10 JKGE Cl[C@H](Cc1sc(Br)c(Br)c1Br)C[C@@H]1CCCO1 2216421636 RXCNBZFHBSRWPP-BQBZGAKWSA-N 467.448 5.755 50 10 JKGE CC1(C)C[C@@H](C[C@@H](Br)c2cc(Br)c(Br)cc2F)CO1 2225617244 NDJGBOLUKPMIRZ-PSASIEDQSA-N 458.991 5.992 50 10 JKGE CCOc1ccc([C@H](Br)c2cc(Br)c(C)s2)cc1Br 2226082706 SLMPVJRGANXFPO-AWEZNQCLSA-N 469.036 6.465 50 10 JKGE Cc1cc(Br)c([C@H](Br)[C@@H](C)C2CCCC2)c(C)c1Br 2227348167 MCGCVFMUZJUHBE-MGPLVRAMSA-N 453.056 7.091 50 10 JKGE Cc1cc(Br)c([C@@H](Br)c2c(C)cc(C)c(Br)c2C)s1 2229326180 SMTYIQDGMQVQOZ-AWEZNQCLSA-N 467.064 6.991 50 10 JKGE CC(C)(C)OC(=O)N1CCC[C@@](CBr)(OCc2ccccc2C(F)(F)F)C1 2236066814 ZRMHAISJIVDWCH-SFHVURJKSA-N 452.311 5.387 50 10 JKGE CCc1cc(Br)c([C@H](Br)c2scc(Br)c2Cl)s1 2246467225 VQASNFDUZXKBRR-QMMMGPOBSA-N 479.484 7.035 50 10 JKGE Fc1cc([C@@H](Br)c2ccc(Br)cc2)c(Cl)cc1Br 2255968882 AZBQWGFSEBQVPE-ZDUSSCGKSA-N 457.362 6.488 50 10 JKGE COc1ccc([C@H](Cl)c2cc(Br)c(C)s2)cc1I 2257369175 UFPBKVQVSKMOHY-ZDUSSCGKSA-N 457.558 5.760 50 10 JKGE FC[C@@]12CC[C@@]([C@H](Br)c3sc(Br)cc3Br)(CO1)C2 2261547342 SWFOZIWSTWDNQB-WOPDTQHZSA-N 463.004 5.618 50 10 JKGE Fc1cc([C@@H](Br)Cc2cccc(Br)c2)c(Cl)cc1Br 2267800990 YGFVHKKEAHEDOX-NSHDSACASA-N 471.389 6.683 50 10 JKGE COc1ccc([C@H](Br)c2cccc(C)c2Br)c(Br)c1Cl 2283564156 RHBZGFZNURVPGT-CYBMUJFWSA-N 483.425 6.666 50 10 JKGE COc1ccc([C@H](Br)c2csc3ccccc23)cc1I 2284996597 BHWINXFEXNCRFL-INIZCTEOSA-N 459.146 5.999 50 10 JKGE Fc1ccc(Cl)cc1[C@@H](Br)c1c(F)cc(Br)c(F)c1Br 2288349116 MMCRBGVINGMGBG-LLVKDONJSA-N 493.342 6.767 50 10 JKGE COC[C@]1([C@H](Br)c2c(F)cc(Br)c(F)c2Br)CCCO1 2288498606 IRAQYUGWAJPFFW-OLZOCXBDSA-N 478.953 5.121 50 10 JKGE BrCc1cc(Br)c(OC[C@]23CCCC[C@H]2CC3)c(Br)c1 2289158693 SFTXCLWZZARABR-BLLLJJGKSA-N 467.039 6.456 50 10 JKGE Cc1cc2sc([C@H](Cl)Cc3cc(Br)cc(Br)c3)cc2s1 2295335474 KWAJHRPLCIEHJA-GFCCVEGCSA-N 450.648 7.319 50 10 JKGE CCN(CC)c1ccc(C=C(C#N)c2nc3ccccc3[nH]2)c(OCc2ccc(Cl)cc2)c1 2296737737 GXXORQFWZNYHII-UHFFFAOYSA-N 456.977 6.706 50 10 JKGE CCOc1cc(C=C(C#N)C(N)=S)cc(Br)c1OCc1cccc2ccccc12 2297560751 IKKDWOUUKRHPCI-UHFFFAOYSA-N 467.388 5.773 50 10 JKGE C=CCc1cc(C=C(C#N)C(=O)Nc2ccc(C)cc2)ccc1OCc1ccc(C(=O)O)cc1 2313567023 BGHLTHJHAZVAAJ-UHFFFAOYSA-N 452.510 5.546 50 10 JKGE N#CC(=Cc1ccc(-c2cccc([N+](=O)[O-])c2)o1)c1nc(-c2ccc(Br)cc2)cs1 2314488229 MQNSYIZBSYYNGE-UHFFFAOYSA-N 478.327 6.805 50 10 JKGE O=S1(=O)CCC([C@@H](Br)c2ccc(OCc3ccccc3)cc2Br)CC1 2314502566 KCULXPIKVUVOCQ-LJQANCHMSA-N 488.241 5.289 50 10 JKGE FC(F)(F)C1([C@@H](Br)c2ccc(OCc3ccccc3)cc2Br)CCC1 2314503153 PLDPGSJVOFKTGZ-KRWDZBQOSA-N 478.146 7.197 50 10 JKGE Cc1ccc(NC(=O)C(C#N)=C2S[C@H](Cc3ccccc3C)C(=O)N2c2ccc(C(C)C)cc2)cc1 2314592164 MVJURUIQNVBIIL-HHHXNRCGSA-N 495.648 6.492 50 10 JKGE Cc1c(Cl)cc([C@@H](Cl)c2sc(Cl)cc2I)cc1Br 2316766177 DSIOHSZLNKJRIV-LLVKDONJSA-N 496.422 7.059 50 10 JKGE Cc1c(F)ccc([C@@H](Br)c2cc(Br)c(Br)s2)c1Cl 2316779813 KTBNZOICRBGTLF-SNVBAGLBSA-N 477.418 6.858 50 10 JKGE O=C(NN=Cc1ccc(OC(=O)c2ccc(F)cc2)cc1)c1ccc2[nH]c3c(c2c1)CCCC3 2323153290 USVYXKIVRAADFW-UHFFFAOYSA-N 455.489 5.169 50 10 JKGE CCCOc1ccc(-c2csc(C(C#N)=C(O)C=Cc3ccc(OCC)cc3)n2)cc1OCCC 2331293482 PYGRJGOEUMOPDK-UHFFFAOYSA-N 490.625 7.292 50 10 JKGE Cc1ccc(C)c(N2C(=O)c3ccc(C(O)=C(C#N)c4nc(C(C)(C)C)cs4)cc3C2=O)c1 2331306092 JCQXIAMTERKGBP-UHFFFAOYSA-N 457.555 5.808 50 10 JKGE CCCOc1ccc(-c2csc(C(C#N)=C(O)CCCOc3ccc(Cl)cc3)n2)cc1 2331318312 WWJKGOSSVQZZDV-UHFFFAOYSA-N 454.979 6.904 50 10 JKGE N#CC(=C(O)c1ccc2c(c1)C(=O)N(Cc1ccccn1)C2=O)c1nc(-c2cccs2)cs1 2331326248 OWWMWCNBUIVGEU-UHFFFAOYSA-N 470.535 5.013 50 10 JKGE COc1cc(C)c(-c2csc(C(C#N)=C(O)CCc3ccc(Cl)cc3)n2)cc1C(C)C 2331358624 WJWYNGYHEWHMED-UHFFFAOYSA-N 453.007 7.329 50 10 JKGE COc1c(Cl)cc(Cl)cc1-c1csc(C(C#N)=C(O)C=Cc2ccccc2Cl)n1 2331362868 WEPZZJUXUVHLEM-UHFFFAOYSA-N 463.773 7.285 50 10 JKGE N#CC(=C(O)CCCCCNC(=O)c1ccccc1)c1nc(-c2cc(Cl)ccc2Cl)cs1 2331405482 LVYOXTVFSUXLPF-UHFFFAOYSA-N 486.424 6.900 50 10 JKGE CCOc1cc(C=C(C#N)c2nc(-c3c[nH]c4ccccc34)cs2)ccc1OCc1ccccc1C 2331461846 NGGLVJCGKFULQT-UHFFFAOYSA-N 491.616 7.642 50 10 JKGE FC(F)(C1CCOCC1)[C@@H](Br)c1cc(Br)ccc1OCc1ccccc1 2336042393 WGFPROOXESGTKV-IBGZPJMESA-N 490.182 6.526 50 10 JKGE Cc1ccc(C)c(C[C@H](Br)c2cc(Br)ccc2OCc2ccccc2)c1 2336076490 ZIHYUKOFKOBMIR-QFIPXVFZSA-N 474.236 7.324 50 10 JKGE Brc1cc(OCc2ccccc2)ccc1[C@H](Br)c1ccc2nsnc2c1 2336077229 GNJBUPCWAGHXDW-HXUWFJFHSA-N 490.220 6.517 50 10 JKGE Cc1cc(Br)c(F)c(Br)c1[C@@H](Cl)c1c(Br)cnn1C 2339652626 BAIFTDOZSDCLTI-SNVBAGLBSA-N 475.381 5.483 50 10 JKGE Cc1cc(Br)c(F)c(Br)c1[C@@H](Br)CC1CC(C)(C)C1 2339682252 QIDUYUYXFKQIFE-JTQLQIEISA-N 457.019 6.921 50 10 JKGE Cc1sc([C@H](Br)c2c(F)cc(Cl)c(Br)c2Cl)c(C)c1C 2360435771 MUDHYYAJKBNPMM-GFCCVEGCSA-N 461.021 7.366 50 10 JKGE CC(C)(C)c1cccc([C@@H](Br)c2cc(Br)ccc2OCc2ccccc2)c1 2361179914 ZFDLYUHGKKWGCR-HSZRJFAPSA-N 488.263 7.810 50 10 JKGE Fc1c(Br)cc(Cl)c([C@H](Cl)C(F)(F)C2CCCC2)c1Br 2362226180 XZOVTEQJLZHHIH-LBPRGKRZSA-N 454.939 7.110 50 10 JKGE Fc1c(Br)cc(Cl)c([C@@H](Br)[C@@H]2CCCCC2(F)F)c1Br 2362231294 VTUPTRCTTCIJPU-WKEGUHRASA-N 499.390 7.266 50 10 JKGE CC12CC(C1)[C@H](COc1c(Br)cc(CBr)cc1Br)CO2 2363017292 YUEVCFPXMKUEHH-LOIXOFCESA-N 469.011 5.300 50 10 JKGE O=[N+]([O-])c1ccc(CBr)c(Oc2cc(Br)cc(Br)c2)c1 2364107529 STCJZVSUHYSYQY-UHFFFAOYSA-N 465.923 5.807 50 10 JKGE Clc1cccc(CO[C@@H](CI)c2ccc(Br)cc2)c1Cl 2364802061 LJCYEAWQWDJSGR-AWEZNQCLSA-N 485.974 6.449 50 10 JKGE COc1c(Br)cc(C)c([C@H](Br)[C@H]2C[C@@H]2CC(C)C)c1Br 2365232933 DHQSHRYHGJMZEN-COPLHBTASA-N 469.055 6.647 50 10 JKGE O=C(NC[C@@H]1CCCC[C@H](Br)C1)c1ccc(Cl)cc1I 2365600184 ZGDFTMWNDZWXNM-MNOVXSKESA-N 470.576 5.018 50 10 JKGE ClCC(CCl)(Cc1sc(Cl)cc1Br)c1ccc(Br)cc1 2372267022 JNAQRYSEMAQFLB-UHFFFAOYSA-N 477.476 6.885 50 10 JKGE CN(C)C(=O)c1ccc(NC(=O)/C(C#N)=C/c2ccc(-c3cccc(Cl)c3Cl)o2)cc1 16392768 XZSQDIPXTOGSHI-NTCAYCPXSA-N 454.313 5.501 50 10 JKGE COc1ccc(/C(C#N)=C\c2cccc(OC(=O)/C=C/c3ccc(Cl)cc3Cl)c2)cc1OC 31902961 BREXBSWFFIUFGA-HGZPKWKRSA-N 480.347 6.694 50 10 JKGE O=C(CSc1nc2ccccc2[nH]1)N/N=C\c1ccc(OCc2ccc(Br)cc2)cc1 32519908 BEJJLQIPWHGNGL-MXAYSNPKSA-N 495.402 5.147 50 10 JKGE COc1cc(/C=C(/C#N)c2ccc(Cl)cc2)ccc1OC(=O)COc1ccccc1Br 33378437 RBFAVZJPGNWUOL-PDGQHHTCSA-N 498.760 6.160 50 10 JKGE COc1cc(/C=C(/C#N)C(=O)Nc2ccc([N+](=O)[O-])cc2O)ccc1OCc1cccc(Cl)c1 33873927 JBMQKTQYBXMVEA-MFOYZWKCSA-N 479.876 5.087 50 10 JKGE CCCCCCOc1ccc(/C=C(/C#N)C(=O)Nc2ncc(Cc3ccc(F)cc3)s2)cc1 35362503 IASICLHHOCMFAK-QNGOZBTKSA-N 463.578 6.378 50 10 JKGE CC(C)(C)c1ccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)COc4ccc(F)cc4)ccc32)cc1 38649716 OIUYWUAXTATTRY-SANMLTNESA-N 472.516 5.326 50 10 JKGE CCCCOc1ccccc1C(=O)Oc1ccc2c(c1)OC(N)=C(C#N)[C@H]2c1cccc(OC)c1 38650244 JLBURIZSUBYFIH-SANMLTNESA-N 470.525 5.311 50 10 JKGE O=C(N/N=C/c1cc(Cl)c(OCc2ccc(F)cc2)c(Cl)c1)c1cc2ccccc2o1 59305026 KZTIFVAVCFHAMA-KKMKTNMSSA-N 457.288 6.222 50 10 JKGE CCOc1cc(/C=C(/C#N)c2ccc([N+](=O)[O-])cc2)ccc1OS(=O)(=O)c1ccc(C)cc1 59536287 CARCOSKIUDPQSW-ZHZULCJRSA-N 464.499 5.134 50 10 JKGE Cc1cc(C)c(/C=C(/C#N)S(=O)(=O)c2cc(Br)ccc2Br)c(C)c1 96792482 DPQFYHNYBDIVLA-DHDCSXOGSA-N 469.198 5.475 50 10 JKGE COc1cc([C@H](C(=O)NC2CCCCC2)N(Cc2ccccc2)C(=O)CCl)ccc1OC(C)C 97914690 ARRHBUIHKDVMGY-AREMUKBSSA-N 487.040 5.240 50 10 JKGE CCCCCCOc1ccc([C@@H](C(=O)NC2CCCCC2)N(Cc2ccco2)C(=O)CCl)cc1 97915155 WAYIDIBNRLWQHS-SANMLTNESA-N 489.056 5.996 50 10 JKGE COc1cc(/C=C(/C#N)c2nc(-c3ccc(Br)cc3)cs2)cc([N+](=O)[O-])c1O 102924219 YQORPJZLRSLFHK-MLPAPPSSSA-N 458.293 5.259 50 10 JKGE Cc1cccc(-n2c(CCl)nc3cc(I)c(F)cc32)c1Br 131976924 IICJSOBJFICJLY-UHFFFAOYSA-N 479.518 5.579 50 10 JKGE COc1cc([C@@H](Br)c2cc(C)cc(Br)c2)c(OC)cc1Br 134293502 QDZIUZKUNBBMNW-INIZCTEOSA-N 479.006 6.022 50 10 JKGE CCCCCOc1ccc(/C=C\C(=O)Oc2ccc(/C=C(/C#N)C(=O)OCC)cc2OC)cc1OC 206177912 NKNFQMGFLBUARC-WIWSQCTFSA-N 493.556 5.362 50 10 JKGE COc1ccc([C@H](Br)c2ccc(Br)cc2Cl)c(OC)c1Br 224863775 ZAFQRUWPVBNCSF-CYBMUJFWSA-N 499.424 6.367 50 10 JKGE FC(F)(F)Oc1ccc([C@@H](Br)c2cc(Br)c(Cl)s2)cc1 227844667 YBEIVDPFFKQUDD-SNVBAGLBSA-N 450.501 6.547 50 10 JKGE Clc1cnccc1C[C@@H](Br)c1ccc(Br)cc1Br 236036189 PLLWPTMOIMFFIQ-LLVKDONJSA-N 454.387 5.939 50 10 JKGE O=C(NN=Cc1c2ccccc2cc2ccccc12)c1cc(I)ccc1Cl 252596050 CGFQSENOYLAKOY-UHFFFAOYSA-N 484.724 6.015 50 10 JKGE O=C(NN=Cc1ccc(-c2ccc(Br)cc2)o1)c1cc2c(ccc3ccccc32)o1 252619871 LTJWJYGZKIFGDN-UHFFFAOYSA-N 459.299 6.372 50 10 JKGE CCCOc1ccc(-c2nn(-c3ccccc3)cc2C=NNC(=O)c2ccc(OC)c(OC)c2)cc1 254555027 QNYDZCNZLUECRA-UHFFFAOYSA-N 484.556 5.109 50 10 JKGE BrCc1cc(Br)ccc1N1C[C@@H]2CCN(Cc3ccccc3)C[C@@H]2C1 311182684 ZLGHXFKTFQNHSQ-PKOBYXMFSA-N 464.245 5.302 50 10 JKGE Cc1ccc(Br)cc1[C@@H](Br)c1c(C)cc(C)c(Br)c1C 312325454 AMQXHDWDWAGDPP-QGZVFWFLSA-N 461.035 6.930 50 10 JKGE CN(C(=O)OC(C)(C)C)c1cccc([C@@H]2COCCCN2CCO[Si](C)(C)C(C)(C)C)c1 616596617 DVNYMYMIWNUFKV-QFIPXVFZSA-N 464.723 5.843 50 10 JKGE CC(C)(C)[Si](C)(C)OCc1ccccc1[C@@H]1CCCCN(S(=O)(=O)c2ccccc2)C1 616628417 GVTLDIVHQOCVAN-OAQYLSRUSA-N 459.728 6.167 50 10 JKGE Fc1ccc([C@@H](Cl)c2ccc(Br)cc2Br)c(F)c1Br 691542952 RXQLUBDMGYBKFN-LBPRGKRZSA-N 475.352 6.581 50 10 JKGE ClCCc1nc2cc(Cl)cnc2n1CC1(N(Cc2ccccc2)Cc2ccccc2)COC1 705608821 HFRIGDZDOUVQMC-UHFFFAOYSA-N 481.427 5.337 50 10 JKGE CC1(C)[C@@H](OCc2ccccc2)C[C@H]1n1c(CCCl)nc2cc(I)ccc21 718079052 NQNKEOYTKBMJLG-UXHICEINSA-N 494.804 5.979 50 10 JKGE COc1ccccc1C=NNC(=O)CSc1c(Cl)c(Cl)c(Cl)c(Cl)c1Cl 1083896544 DQIXRHXFJZXDTB-UHFFFAOYSA-N 472.608 6.205 50 10 JKGE CC(=NNC(=O)COc1ccc(C(C)(C)C)cc1Br)C(c1ccccc1)c1ccccc1 1084306551 IGCFDSTYLUYTOV-UHFFFAOYSA-N 493.445 6.450 50 10 JKGE O=C(NN=C(CSc1nc2ccccc2s1)c1ccc(F)cc1)c1cccc([N+](=O)[O-])c1 1084351141 WVHFPPNHRBXEBR-UHFFFAOYSA-N 466.519 5.270 50 10 JKGE O=C(NN=C1C(=O)N(Cc2cccc3ccccc23)c2ccccc21)c1nc2ccccc2s1 1084447743 UTZSSSHXLUXLFC-UHFFFAOYSA-N 462.534 5.130 50 10 JKGE COc1cc(/C=C(/C#N)C(=O)Nc2ccc(Cl)c(Cl)c2)ccc1OCc1cccc(F)c1 1084553157 WRRYMIWNGPGGKV-MFOYZWKCSA-N 471.315 6.266 50 10 JKGE Cc1ccc(NC(=O)/C(C#N)=C\c2ccc(-c3ccc(Br)c(C)c3C)o2)cc1Cl 1084568140 BHVOKOWAZIEMDR-YBEGLDIGSA-N 469.766 6.833 50 10 JKGE Cc1cccc(C(=O)NN=C2CCCc3oc(C(=O)Oc4cc(C)ccc4C(C)C)c(C)c32)c1 1772744750 HVALJIBXWIDOOI-UHFFFAOYSA-N 458.558 6.018 50 10 JKGE N#CC1=C(N)Oc2c(c(C(F)(F)F)nn2Cc2cccc(F)c2)[C@H]1c1cccc(Br)c1 1865683452 DZCUPIXCHMWUIQ-INIZCTEOSA-N 493.258 5.070 50 10 JKGE CCCc1nn(Cc2ccccc2Cl)c2c1[C@@H](c1cccc(Br)c1)C(C#N)=C(N)O2 1865683794 IIVJTZFYAXQKNI-FQEVSTJZSA-N 483.797 5.518 50 10 JKGE N#CC1=C(N)Oc2c(c(-c3ccccc3)nn2Cc2ccccc2)[C@@H]1c1c(Cl)cccc1Cl 1865685779 NEONULDPTDAICZ-NRFANRHFSA-N 473.363 6.123 50 10 JKGE CCOc1ccc([C@H]2C(C#N)=C(N)Oc3c2c(-c2ccc(OC)cc2)nn3-c2ccccc2)cc1OC 1865695411 OJWCZMHRDNPBBD-VWLOTQADSA-N 494.551 5.173 50 10 JKGE CCCCOc1ccc([C@H]2C(C#N)=C(N)Oc3c2c(CC)nn3Cc2ccc(Cl)cc2)cc1OC 1865697325 QCDTWDSXBSIYNI-DEOSSOPVSA-N 493.007 5.553 50 10 JKGE N#CC1=C(N)Oc2c(c(-c3ccccc3)nn2Cc2ccccc2Cl)[C@H]1c1ccccc1[N+](=O)[O-] 1865710409 XJFNJGCAWLTQFM-QFIPXVFZSA-N 483.915 5.378 50 10 JKGE N#CSc1ccc(NC(=O)[C@H](CSCc2ccccc2)NC(=O)[C@@H]2C[C@@H]2c2ccccc2)cc1 1867053773 PSBDXDZBYGTTGG-SDHSZQHLSA-N 487.650 5.420 50 10 JKGE CCCCCCCCCOc1ccc(/C=C(\C#N)c2ncccc2[N+](=O)[O-])cc1Br 1872729017 IYNRKZZCMBOMNG-XDJHFCHBSA-N 472.383 6.946 50 10 JKGE C[C@@H](Oc1ccc(Cl)cc1Cl)/C(O)=C(\C#N)c1nc(-c2ccc(Br)cc2)cs1 1872746325 CGDXZWDMPDKPEA-QNPMFDGYSA-N 496.213 7.140 50 10 JKGE Cc1ccc(-c2csc(/C(C#N)=C(\O)CCCOc3ccc(Cl)cc3Cl)n2)c(C)c1 1872748504 AMANOWLWCYEPFR-UZYVYHOESA-N 459.398 7.386 50 10 JKGE CCCOc1ccc(-c2csc(/C(C#N)=C(\O)[C@@H]3CC(=O)N([C@@H](C)c4ccccc4)C3)n2)cc1 1872749264 IWTQISBZRQEETD-UREYJMEMSA-N 473.598 6.001 50 10 JKGE CCCOc1ccc(-c2csc(/C(C#N)=C(\O)CCCOc3ccc(Cl)cc3)n2)cc1 1872749555 WWJKGOSSVQZZDV-LNVKXUELSA-N 454.979 6.904 50 10 JKGE COc1cc(/C(O)=C(\C#N)c2nc(-c3cc(C(C)(C)C)ccc3OC)cs2)c([N+](=O)[O-])cc1OC 1872751472 JQUDVAUDRTUMHW-QJOMJCCJSA-N 495.557 5.991 50 10 JKGE N#C/C(=C(O)\C=C\c1ccc(OCc2ccccc2)cc1)c1nc(-c2c[nH]c3ccccc23)cs1 1872753049 FSIMLRIXCVDFQT-GKWGQGTFSA-N 475.573 7.376 50 10 JKGE CC(C)c1ccc(-c2csc(/C(C#N)=C/c3c(OCc4ccccc4)ccc4ccccc34)n2)cc1 1872791680 QGSZWNRJRGQKJF-OVVQPSECSA-N 486.640 8.730 50 10 JKGE CCCOc1ccc(-c2csc(/C(C#N)=C(\O)c3ccccc3Cl)n2)cc1OCCC 1872817864 ARJWMYOFOPYTLA-NKFKGCMQSA-N 454.979 6.991 50 10 JKGE COc1ccc([C@@H](Br)c2cc(C)c(Br)o2)c(OC)c1Br 1917612503 MSEARBFYPAIDBR-LLVKDONJSA-N 468.967 5.615 50 10 JKGE Cc1c(Br)sc([C@@H](Br)c2cscc2C(F)F)c1Br 1922920597 IXVRBRCPYUPHQI-QMMMGPOBSA-N 481.019 7.065 50 10 JKGE Cc1c(Cl)cccc1[C@@H](Br)c1sc(Br)cc1Br 1922934826 KCLDDALUCCEMEH-LLVKDONJSA-N 459.428 6.719 50 10 JKGE Brc1cc(Br)c([C@@H](Br)c2cc3sccc3s2)s1 1922937484 YQJCHNBZEWQPER-JTQLQIEISA-N 473.074 7.034 50 10 JKGE Cc1c(Br)sc([C@@H](Cl)c2cccc(Br)c2F)c1Br 1922946111 NVDDOZIQPWUBHC-VIFPVBQESA-N 477.418 6.811 50 10 JKGE Clc1c(Br)sc(Br)c1[C@H](Cl)[C@@H]1CC[C@@H]2CCCC[C@@H]2C1 1923050188 RCMHUGLJNKWPGL-BTQIBKBOSA-N 461.090 7.813 50 10 JKGE CC(C)(C[C@@H](Br)c1c(Br)sc(Br)c1Cl)C(F)(F)F 1923072885 SMUPDPMYPXYOQA-SCSAIBSYSA-N 493.408 7.341 50 10 JKGE Clc1ccc([C@@H](Br)c2c(Br)sc(Br)c2Cl)s1 1923073049 UIWKRZIIVOSSFR-ZCFIWIBFSA-N 485.875 7.126 50 10 JKGE COc1sc([C@@H](Br)c2ccccc2I)cc1Br 1946721890 RTLWKTXDVWRYSE-NSHDSACASA-N 487.982 5.608 50 10 JKGE Cc1cc([C@@H](Cl)c2c(Cl)sc(Br)c2Cl)c(Br)s1 1951015995 HNVODSJWGFFXJE-ZCFIWIBFSA-N 455.451 7.278 50 10 JKGE O=C(OCC1c2ccccc2-c2ccccc21)N1CC[C@@](CCCC[C@@H]2CCSS2)(C(=O)O)C1 1951709725 UIAZQGWUEYPIJZ-XHCCPWGMSA-N 497.682 6.426 50 10 JKGE Cl[C@@H](c1c(Br)sc(Br)c1Br)C12CC(CCO1)C2 2019894722 LDTBVKHMIGGTSS-QHCBANEHSA-N 465.432 5.885 50 10 JKGE Cl[C@H](c1cscc1OCc1ccccc1)c1cc(I)cc2c1OCC2 2038685564 DRBMCQFAIJMARY-IBGZPJMESA-N 482.770 6.195 50 10 JKGE FC1(F)CCC[C@@H]2[C@H]([C@@H](Br)c3cc(Br)c(Br)s3)[C@H]21 2051240143 FCOXZWNRENTCAA-VITNAHMWSA-N 464.995 6.391 50 10 JKGE COc1cc(C)c(Br)cc1[C@@H](Br)c1cc(Br)sn1 2056492190 WVVMCOXOERZGCC-GFCCVEGCSA-N 455.997 5.469 50 10 JKGE Brc1cc([C@@H](Br)c2ccc3nsnc3c2)sc1Br 2057041049 GZKRYHQYHQANMM-JTQLQIEISA-N 469.021 5.762 50 10 JKGE BrCC(CBr)(Cc1cc(Br)cc2c1OCC2)C1CC1 2089699895 BSSJFCWQBQMIIF-UHFFFAOYSA-N 453.012 5.113 50 10 JKGE CCCCCCCCCC[C@@H](Br)c1cc(Br)sc1Br 2108243206 JEMKVNAEVCMKJG-CYBMUJFWSA-N 475.128 8.240 50 10 JKGE C[C@H](c1cscc1Br)N(C)c1ccc(CBr)c(Br)c1 2130027476 WCTIZPWCPZMLAH-SECBINFHSA-N 468.052 6.365 50 10 JKGE Cc1c(Br)sc([C@H](Br)[C@H]2C[C@@H]2C2CCOCC2)c1Br 2135276156 GUIGMJICNUGAQB-JFGNBEQYSA-N 473.068 6.080 50 10 JKGE Cc1csc([C@H](Br)c2c(C)c(Br)cc(C)c2Br)c1Cl 2136380736 WLELBWHYBFZDHZ-GFCCVEGCSA-N 487.482 7.336 50 10 JKGE BrCc1c(Br)cccc1N1CCc2cccc(Br)c2C1 2149905449 HFTSDQBVEBKIQE-UHFFFAOYSA-N 460.007 5.669 50 10 JKGE COc1ccc(C[C@@H](Br)c2csc(Br)c2Br)cc1OC 2150342903 ZWFPUGBNRIIJPD-SNVBAGLBSA-N 485.035 5.969 50 10 JKGE C[C@H](Br)C12CCC(CC1)N2C(=O)c1cccc(Br)c1Br 2153390419 BANRPKDDLHITCC-YLTRJXTNSA-N 466.011 5.132 50 10 JKGE CC(C)(C)OC(=O)N1CCCCN(CC2(CBr)CCCCC2)CC(F)(F)C1 2164874680 CZEJEPXDIWMQFJ-UHFFFAOYSA-N 453.412 5.300 50 10 JKGE COc1cc(Cl)c([C@H](Br)c2c(Cl)cccc2Br)cc1Cl 2169467086 YYVVGGNMKFLUJB-AWEZNQCLSA-N 459.392 6.902 50 10 JKGE CC(C)(C)CC1CC(O[C@H](CI)c2cccc(Br)c2)C1 2188310211 ZGVMHHDTFVTSHT-VDSRIPIWSA-N 451.186 6.157 50 10 JKGE CCOC1CC(C[C@H](Br)c2c(C)c(Br)cc(C)c2Br)C1 2201069561 KWVCGEYCKLXGIJ-YIZWMMSDSA-N 469.055 6.470 50 10 JKGE Cc1cc(Br)c(C)c([C@H](Br)[C@@]2(C)C[C@H]2C(F)(F)F)c1Br 2201070104 DZGZFXBZERUJDR-ICCXJUOJSA-N 478.972 6.853 50 10 JKGE Fc1cc(Br)c([C@@H](Cl)Cc2ccccc2I)c(F)c1Cl 2201617424 VHFRMQYRHOFLLS-VIFPVBQESA-N 491.928 6.508 50 10 JKGE FC(F)(F)c1ccc([C@@H](Br)c2ccc(Br)cc2Br)cc1 2203689576 YSAUBTSMSDRITA-CYBMUJFWSA-N 472.924 6.715 50 10 JKGE COc1c(Br)cc(C)cc1[C@@H](Br)c1cccc(Br)c1C 2203823033 HXZBAPBOWVOXBU-HNNXBMFYSA-N 463.007 6.321 50 10 JKGE C[C@H](Br)C[C@@H]1CCCCCN1Cc1ccc(I)c(Cl)c1 2208036290 MDFDTBCKOAMWPO-JSGCOSHPSA-N 470.620 5.863 50 10 JKGE FC(F)(F)[C@@H]1CC[C@H]1[C@@H](Br)c1cc(Br)c(Br)s1 2212875979 BYBSSSHLCVKADE-OKMMGKLZSA-N 456.947 6.298 50 10 JKGE Cc1sc(C(=O)N(Cc2ccccc2)[C@H](CBr)C(C)C)c(C)c1Br 2213743913 GPUWRYNEHIGALZ-MRXNPFEDSA-N 473.274 6.189 50 10 JKGE Cc1ccc(I)c([C@H](Br)c2cc(Cl)sc2Cl)c1 2217420653 HGCZYURZQLBWPE-NSHDSACASA-N 461.977 6.452 50 10 JKGE Fc1cc(Br)c(Br)cc1[C@@H](Br)CC12CCC(CC1)C2 2225615236 FDOKADALDBEXQW-MEXZMNCTSA-N 455.003 6.757 50 10 JKGE CCc1occ(C)c1[C@H](Br)c1cc(Br)c(Br)cc1F 2225616969 KVFSZGMZCSISKD-CQSZACIVSA-N 454.959 6.299 50 10 JKGE Fc1cc(Br)c(Br)cc1[C@H](Br)[C@@H]1CC[C@@H]1C(F)(F)F 2225619630 LKJAOVVXOMFXBY-RFXQIHQISA-N 468.908 6.375 50 10 JKGE Cc1cc([C@@H](Br)c2c(F)cc(F)c(Br)c2F)oc1Br 2227809442 PFGBJBCWIPUIHV-SNVBAGLBSA-N 462.885 6.015 50 10 JKGE Cc1ccc([C@@H](Br)Cc2cc(Cl)cc(Cl)c2)cc1I 2232134481 WAGKCXSOXTYAOK-AWEZNQCLSA-N 469.975 6.585 50 10 JKGE Cc1cc(C)cc([C@H](Br)c2c(Br)cc(Cl)c(Cl)c2Cl)c1 2232509854 FLJMXPGZXIITCW-ZDUSSCGKSA-N 457.420 7.510 50 10 JKGE O=C(c1csc(Br)c1Br)N1CC[C@@H]2[C@@H](Br)CCC[C@H]2C1 2233741817 CMXHQFWSOBRJLG-QXEWZRGKSA-N 486.067 5.299 50 10 JKGE COc1ccc(C[C@H](Br)c2cc(Br)c(Br)cc2F)cc1 2233977297 UAIYRBQVATWKTG-LBPRGKRZSA-N 466.970 6.038 50 10 JKGE COc1cc(C)ccc1[C@@H](Br)c1cc(Br)c(C)cc1Br 2233982686 YUWBCWNDJXJPFF-MRXNPFEDSA-N 463.007 6.321 50 10 JKGE Cc1cc(Br)c([C@H](Br)[C@H]2[C@@H]3[C@H]2CCC3(F)F)c(C)c1Br 2235602458 DLLMFTAOTAQTGU-PRAYIBQGSA-N 472.993 6.556 50 10 JKGE CCC[C@H](CC(C)C)[C@@H](Br)c1c(Br)cc(C)c(Br)c1C 2235607086 FKJPVROQJADTKJ-CXAGYDPISA-N 469.099 7.727 50 10 JKGE Cc1cc(Br)c([C@@H](Br)C23CCC(CC2)OC3)c(C)c1Br 2235610596 GGTHNFVKAVANPH-YWCUFVOSSA-N 467.039 6.224 50 10 JKGE Fc1ccc(Br)c([C@@H](Br)c2ccc3c(c2Br)CCO3)c1 2238080884 BCUMGZBUPDGBST-HNNXBMFYSA-N 464.954 5.770 50 10 JKGE BrC[C@@H]1C[C@@H]2CCCC[C@H]2N1Cc1c(Br)cccc1Br 2240672611 GKCYXWIWYCYECM-MQIPJXDCSA-N 466.055 5.740 50 10 JKGE Cc1cc(Cl)c(Cl)cc1[C@H](Br)c1sccc1I 2246342475 XPORIRMNYUQBDJ-NSHDSACASA-N 461.977 6.452 50 10 JKGE Cc1sc([C@@H](Cl)Cc2cc(Br)cc(Br)c2)cc1Br 2263445931 HHOUVGOTRXBFSI-LBPRGKRZSA-N 473.455 6.867 50 10 JKGE FC1(F)C[C@@H]([C@H](Br)c2c(Cl)sc(Br)c2Cl)C12CCC2 2266146869 MYYMNUOXGJZBAC-FSPLSTOPSA-N 454.989 7.079 50 10 JKGE CC(C)C1([C@@H](Br)c2c(F)cc(Br)c(F)c2Br)CCC1 2272848486 WNKJGLWIRMAGSA-ZDUSSCGKSA-N 460.982 6.752 50 10 JKGE COC[C@@H]1CC[C@H]([C@H](Br)Cc2cc(Br)cc(Br)c2)C1 2277954900 GHYGGRFANNOJRT-IFUGULHKSA-N 455.028 5.580 50 10 JKGE COc1ccc([C@H](Br)c2ccc(F)c(Br)c2)c(Br)c1Cl 2283564829 WAKKGAVNLAGXHK-GFCCVEGCSA-N 487.388 6.497 50 10 JKGE Cc1c(Br)cccc1COc1cc(Br)cc(F)c1CBr 2283662740 KJPXGIHDGJZGPU-UHFFFAOYSA-N 466.970 6.133 50 10 JKGE COc1cc(C)c(Br)c(C)c1[C@@H](Br)c1cc(Br)c(C)s1 2285070819 UDCUSLIGHWCLSG-HNNXBMFYSA-N 483.063 6.691 50 10 JKGE CCC[C@@H](CC(C)C)[C@H](Br)c1c(F)cc(Br)c(F)c1Br 2288358275 VPYMUXANVSOMRE-ZANVPECISA-N 477.025 7.388 50 10 JKGE Fc1cc(Br)c(F)c(Br)c1[C@@H](Br)[C@@H]1CCCCC12CC2 2288484315 REBQYKPNSAWSBT-UFBFGSQYSA-N 472.993 6.896 50 10 JKGE Cc1cc(-n2c(C)cc(C=C(C#N)C(=O)Nc3ccc(F)cc3)c2C)ccc1I 2294168507 OPERDBZUUPQJOV-UHFFFAOYSA-N 499.327 5.692 50 10 JKGE N#CC(=Cc1cc(Cl)c(OCc2cccc([N+](=O)[O-])c2)c(Cl)c1)C(=O)Nc1ccc(O)cc1 2294171830 BTPJMBHLBSFQCN-UHFFFAOYSA-N 484.295 5.732 50 10 JKGE CCOc1ccc(NC(=O)C(C#N)=Cc2c(Oc3ccc(C)cc3C)nc3c(C)cccn3c2=O)cc1 2296723149 HBCOATTVSNMQPB-UHFFFAOYSA-N 494.551 5.356 50 10 JKGE N#CC(=Cc1ccc(OCc2cccc3ccccc23)cc1)C(=O)Nc1ccc([N+](=O)[O-])cc1Cl 2297551675 YNPKGAYDQZETPH-UHFFFAOYSA-N 483.911 6.526 50 10 JKGE COc1ccc(C=CC(=O)Oc2ccc(C=C(C#N)c3nc(-c4ccc(F)cc4)cs3)cc2)cc1 2314548776 WOKFXSCSQGDHFH-UHFFFAOYSA-N 482.536 6.641 50 10 JKGE CC1=C(C#N)C(=O)N(CCc2ccccc2)C(=O)C1=Cc1ccc(OCc2ccc(F)cc2)cc1 2314616907 MPYWCJRHHLWGJD-UHFFFAOYSA-N 466.512 5.240 50 10 JKGE N#CC(=Cc1ccc(OC(=O)CCCOc2ccc(Cl)cc2Cl)cc1)C(=O)NCc1ccco1 2314760312 KOPQQSHGVICNDF-UHFFFAOYSA-N 499.350 5.574 50 10 JKGE CCO[C@@H]1C[C@H]1[C@H](Br)c1c(Cl)cc(Br)c(F)c1Br 2315436006 IVLQYSXKBXEZJH-RHFNHBFPSA-N 465.382 5.865 50 10 JKGE Cc1c([C@H](Br)c2cc(Br)c(Br)s2)ccc(Cl)c1Cl 2316996980 VTEDPEJCNNFMKP-JTQLQIEISA-N 493.873 7.373 50 10 JKGE Cc1cc(Br)c(F)c(Br)c1[C@@H](Br)[C@H](C)C(C)(F)F 2317429349 QSJHXOFZOVXDRS-RCOVLWMOSA-N 452.934 6.386 50 10 JKGE COC(C)(C)C1([C@@H](Br)c2ccc(OCc3ccccc3)cc2Br)CC1 2320467761 VLPPPZLWVFQOCE-IBGZPJMESA-N 468.229 6.669 50 10 JKGE Cc1ccc(-c2csc3nc(SCC(=O)NN=Cc4ccc(Cl)cc4)nc(O)c23)cc1 2320488262 VVPSZPRWXIKMMW-UHFFFAOYSA-N 468.991 5.268 50 10 JKGE Cc1cc(OCc2cccc(CCl)c2)cc2c1C(=O)C(=Cc1ccc(Cl)c(Cl)c1)O2 2325363368 IJKKUOOJZVVYFO-UHFFFAOYSA-N 459.756 7.236 50 10 JKGE COc1cc(C=C(C#N)c2nc3ccccc3n2C)cc(Br)c1OCc1ccccc1 2331019674 KSQFGUDCNCEDOE-UHFFFAOYSA-N 474.358 5.988 50 10 JKGE CC(=O)Nc1ccc(CC(O)=C(C#N)c2nc(-c3cccc(Br)c3)cs2)cc1 2331276463 AHGYEYDNALDVOQ-UHFFFAOYSA-N 454.349 5.566 50 10 JKGE N#CC(=C(O)c1ccc(N2CCCC2)c([N+](=O)[O-])c1)c1nc(-c2cccc(Br)c2)cs1 2331279122 LQYZCPNSEOKBIV-UHFFFAOYSA-N 497.374 6.031 50 10 JKGE CCOc1ccc(CCC(O)=C(C#N)c2nc(-c3ccc(Cl)c(Cl)c3)cs2)cc1OC 2331311816 AZKLCLCBGXDUCH-UHFFFAOYSA-N 475.397 6.950 50 10 JKGE CC(C)(C)c1ccc(OCCCC(O)=C(C#N)c2nc(-c3ccc(C(C)(C)C)cc3)cs2)cc1 2331332015 WAGHVNPBZMRLPZ-UHFFFAOYSA-N 474.670 8.057 50 10 JKGE COc1cc(C)c(-c2csc(C(C#N)=Cc3cc(Br)ccc3O)n2)cc1C(C)C 2331463642 WWPCTCSPCKBMFI-UHFFFAOYSA-N 469.404 6.783 50 10 JKGE CCCCCOc1ccc(C=C(C#N)c2nc(-c3cc(Cl)c(OC)cc3OC)cs2)cc1OC 2331472248 CWWSMSFDHUXJFN-UHFFFAOYSA-N 499.032 7.122 50 10 JKGE COc1c(Br)cc(C)c([C@H](Br)[C@H]2OCC[C@H]2C)c1Br 2339651795 SJRIBKUAPRKXKQ-RESLBDFXSA-N 457.000 5.390 50 10 JKGE Cc1cc(Br)c(F)c(Br)c1[C@H](Br)C1(C)CCCCC1 2339676000 UKUGIOSYEUPKKY-AWEZNQCLSA-N 457.019 7.066 50 10 JKGE COC[C@@H]1CC[C@@H](Cc2ccc(Cl)cc2I)C[C@@H]1Br 2341047087 QOKDBXSVKLCXJW-JKOKRWQUSA-N 457.577 5.313 50 10 JKGE O=C(c1csc(Br)c1Br)N1CC[C@H](Cl)C[C@H]1C(F)(F)F 2361444166 KDVKUKWXGUKBKN-FSPLSTOPSA-N 455.521 5.047 50 10 JKGE Fc1c(Br)cc(Cl)c([C@H](Br)[C@H]2CC23CC(F)(F)C3)c1Br 2362232424 OESGWJJXOZVKEV-MLUIRONXSA-N 497.374 6.876 50 10 JKGE COc1c(Br)cc(C)c([C@@H](Br)[C@H]2CCC[C@@H]3C[C@H]23)c1Br 2365190150 BTXUVIWJCJIBPH-ZHPDPMBESA-N 467.039 6.401 50 10 JKGE COc1c(Br)cc(C)c([C@H](Br)[C@@H]2[C@H]3CCCO[C@H]32)c1Br 2365194395 QMUVXRCQDYKTTO-BHGAFXIHSA-N 469.011 5.390 50 10 JKGE Clc1ccc(C[C@H]2CCc3ccccc3[C@@H]2Br)c(I)c1 2366715244 PDBOBRPXNDHVQB-CXAGYDPISA-N 461.568 6.186 50 10 JKGE O=C(N[C@H](CCBr)COCc1ccccc1)c1ccc(C(F)(F)F)c(Cl)c1 2369433420 NOYPNSGHSHYWJC-OAHLLOKOSA-N 464.709 5.459 50 10 JKGE COc1ccc([C@@H](Br)c2csc(C)c2Br)c(OC)c1Br 2369588886 WRRZDTQJXKTNNH-GFCCVEGCSA-N 485.035 6.083 50 10 JKGE CC(C)(C)OC(=O)NCC(F)(F)[C@@H]1CCCCN1C[C@](C)(CBr)C(C)(C)C 2380206192 NYMFZZOSZIBQFD-KXBFYZLASA-N 455.428 5.448 50 10 JKGE CC(C)(C)Oc1ccc([C@H](Br)c2cc(Br)cs2)cc1Br 2381320675 YPQSDQGDMALZBZ-AWEZNQCLSA-N 483.063 6.935 50 10 JKGE N#C/C(=C/c1ccc(-c2cccc(Cl)c2Cl)o1)C(=O)Nc1ccc(Br)cc1F 867469 SFTLIBBYXSHHAS-FLIBITNWSA-N 480.120 6.701 50 10 JKGE CC(C)(C)c1ccc(OCC(=O)N/N=C/c2cccc(Oc3ccccc3)c2)c(Br)c1 14014955 YSOSSOIXIXAPIF-JVWAILMASA-N 481.390 6.068 50 10 JKGE COc1ccc(/C(C#N)=C\c2ccc(OC(=O)c3cc(OC)c(OC)c(OC)c3)cc2)cc1OC 31900956 FOYRUWYNGPBNAF-NDENLUEZSA-N 475.497 5.013 50 10 JKGE Cc1ccc2cc(/C=C(/C#N)c3nc(-c4ccc(Br)cc4)cs3)c(Cl)nc2c1 33391392 ZZXZJLNWPJIMTM-YVLHZVERSA-N 466.791 7.147 50 10 JKGE COc1cccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4ccc(OCC(C)C)cc4)ccc32)c1 38650196 OWEGXQREBINIAB-SANMLTNESA-N 470.525 5.167 50 10 JKGE CCCCCOc1ccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4cccc(OC)c4)ccc32)cc1 38685283 AXIUCHPXUHJIMD-HHHXNRCGSA-N 484.552 5.702 50 10 JKGE Cc1ccc2c(C)c(C(=O)Oc3ccc4c(c3)OC(N)=C(C#N)[C@@H]4c3ccc(F)cc3)oc2c1C 38688095 LSZDDWRBESHZRJ-XMMPIXPASA-N 468.484 5.935 50 10 JKGE O=C(CCCc1c(-c2ccc3ccccc3n2)[nH]c2ccc(F)cc12)NNC(=O)c1ccccc1F 39867630 YZHZYXICIJDSHI-UHFFFAOYSA-N 484.506 5.445 50 10 JKGE Cc1c(C(=O)Nc2cc(Cl)cc(Cl)c2)oc2c1/C(=N/NC(=O)c1ccccc1Cl)CCC2 40812621 BHZVGLJOQWDLSK-MTDXEUNCSA-N 490.774 6.271 50 10 JKGE Cc1occc1C(=O)N/N=C1\CCCc2oc(C(=O)N3c4ccc(F)cc4CC[C@H]3C)c(C)c21 40823415 TWCWJDLDTUJYQO-YFJSACFQSA-N 463.509 5.080 50 10 JKGE Cc1ccc(OC(=O)c2oc3c(c2C)/C(=N/NC(=O)Cc2coc4c(C)c(C)ccc24)CCC3)cc1 40826765 WAHFAHRTODYEDW-JJKYIXSRSA-N 484.552 5.878 50 10 JKGE CC(C)(C)c1ccc(OCC(=O)N/N=C2\C(=O)N(Cc3cccc4ccccc34)c3ccccc32)cc1 59421080 RDDZBMDPTQFFSB-IYOYZZHUSA-N 491.591 5.583 50 10 JKGE O=C(N/N=C(/CSc1nc2ccccc2s1)c1ccc([N+](=O)[O-])cc1)c1cccc(Cl)c1 59460701 VTTXNAIKHFXTPE-PLRJNAJWSA-N 482.974 5.784 50 10 JKGE N#C/C(=C\c1ccccc1OCc1ccc(Cl)cc1Cl)C(=O)N1CCN(c2ccccc2)CC1 59676575 APXXUOAMYOMBRI-CJLVFECKSA-N 492.406 5.828 50 10 JKGE CCCCCCCCCCCCCCCCNc1ncnc(NNC(=O)c2ccc(F)cc2)c1N 101531810 QMASIDBDLAHIBD-UHFFFAOYSA-N 486.680 6.848 50 10 JKGE CCCCCCCCCCCCCCCCNc1ncnc(NNC(=O)Cc2ccccc2)c1N 101531898 QNPSFXMTPCOWIB-UHFFFAOYSA-N 482.717 6.638 50 10 JKGE Cc1ccc(Cl)cc1NC(=O)/C(C#N)=C\c1cc(C)n(-c2sc3ccccc3c2C#N)c1C 104981324 BUQVQMXKTZZDKT-ODLFYWEKSA-N 470.985 6.688 50 10 JKGE CCCCCCCCCCC[C@H](Br)c1cc(Br)ccc1Br 115860844 FOFPGHHBWCQHOO-KRWDZBQOSA-N 483.126 8.569 50 10 JKGE Cc1cc(Br)c(NS(=O)(=O)c2ccc(CBr)cc2)c(Br)c1 115917491 HEHIGCYOAQBURE-UHFFFAOYSA-N 498.034 5.216 50 10 JKGE C[C@H](O[Si](C)(C)C)[C@H]1CC[C@H]2[C@@H]3CC=C4C[C@@H](O[Si](C)(C)C)CC[C@]4(C)[C@H]3CC[C@]12C 195753269 PXQKWIROLXRMAD-PAMFVNDTSA-N 462.867 8.026 50 10 JKGE C=CCOc1ccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)/C=C\c4ccccc4)ccc32)cc1 205648068 XBTCGHHEBUVOGN-KZIZLACBSA-N 450.494 5.088 50 10 JKGE N#C/C(=C/N1CCN(C(c2ccccc2)c2ccccc2)CC1)C(=O)Nc1ccc(Cl)c(Cl)c1 217001623 BLMXUJBGKMSZKM-QOCHGBHMSA-N 491.422 5.747 50 10 JKGE N#C/C(=C/N1CCN(c2cccc(Cl)c2)CC1)C(=O)Nc1ccccc1Sc1ccccc1 217243882 FAKNTSDYDPXXGG-VXPUYCOJSA-N 475.017 5.659 50 10 JKGE COc1cc(Br)c(Oc2ccc(CBr)cc2Cl)cc1Br 218337039 MUKIDBJBSDIXTA-UHFFFAOYSA-N 485.397 6.561 50 10 JKGE FC(F)(F)C(O[C@@H](CI)c1ccccc1Br)C(F)(F)F 226034046 QABOEJGRUCPUEW-QMMMGPOBSA-N 476.980 5.435 50 10 JKGE Cl[C@@H](Cc1cccc(Br)c1)c1cc(Br)cc(Br)c1 236019744 ZUHYTQOAEMZCNV-AWEZNQCLSA-N 453.399 6.497 50 10 JKGE O=C(NN=Cc1cccc2ccccc12)c1ccc(C(=O)NN=Cc2cccc3ccccc23)o1 252589666 AMGLBHLWMCYDBH-UHFFFAOYSA-N 460.493 5.114 50 10 JKGE O=C(NN=Cc1c[nH]c2ccc(OCc3ccccc3)cc12)C(O)(c1ccccc1)c1ccccc1 254292394 WUXBWJQJFQWCMU-UHFFFAOYSA-N 475.548 5.133 50 10 JKGE Cc1nn(-c2ccccc2)c(C)c1C=NNC(=O)[C@]1(C)CC[C@@H](c2nc3ccccc3[nH]2)C1(C)C 254555635 CBYGKVKPYJMJIG-DWACAAAGSA-N 468.605 5.426 50 10 JKGE C=CCc1ccccc1OCC(=O)NN=Cc1ccc(OC(=O)c2ccc(OCCCC)cc2)cc1 254792573 UGBIXRKTNOUMIB-UHFFFAOYSA-N 486.568 5.342 50 10 JKGE C[C@H]([C@@H]1CCN(Cc2ccccc2)C1)n1c(CCl)nc2cc(F)c(Br)cc21 380777065 SXGHXCYPTNAPCG-GDBMZVCRSA-N 450.783 5.760 50 10 JKGE Clc1ccc(I)c([C@@H]2CN(Cc3ccccc3)C[C@@H]2CBr)c1 382708401 GDBIYOIXEJAGMR-WMLDXEAASA-N 490.610 5.555 50 10 JKGE C[C@@H](Cl)c1nc2cc(Br)c(F)cc2n1[C@@]1(C)CCN(Cc2ccccc2)C1 405962369 PJBLLRTZVCOWKA-SZNDQCEHSA-N 450.783 5.859 50 10 JKGE N#CSc1ccc(NC(=O)Nc2cccc(C(=O)NC3CCCCCCCCCCC3)c2)cc1 586700748 SCIFZRNPNJDABT-UHFFFAOYSA-N 478.662 7.307 50 10 JKGE C[C@H](Cl)c1nc2cccc(Br)c2n1-c1ccc(I)cc1 697743719 FOOWALYCSPPVME-VIFPVBQESA-N 461.528 5.692 50 10 JKGE ClCCc1nc2cccc(Br)c2n1CCCOCCOCc1ccccc1 700138661 ZRKGMPBOMJSDIF-UHFFFAOYSA-N 451.792 5.204 50 10 JKGE Fc1ccc([C@H](Br)c2cc(Cl)ccc2I)c(F)c1Cl 701690623 BGMKOFLZWCYUSX-NSHDSACASA-N 477.901 6.361 50 10 JKGE N#C/C(=C/c1ccc(OC(=O)c2cccc3ccccc23)cc1)C(=O)Nc1cc(Cl)ccc1Cl 1083890377 XUTOWPFIRSUZAF-RGEXLXHISA-N 487.342 6.911 50 10 JKGE COc1cc(C=NNC(=O)c2cccs2)c(Br)cc1OCc1cccc2ccccc12 1084496973 HPXIHOHYEKPZGZ-UHFFFAOYSA-N 495.398 6.015 50 10 JKGE Cc1c(C(=O)NN(c2ccccc2)c2ccccc2)oc2c1C(=NNC(=O)c1ccc(F)cc1)CCC2 1772744806 JYLONWUVMRHKQE-UHFFFAOYSA-N 496.542 5.681 50 10 JKGE N#CC1=C(N)Oc2c(c(-c3ccccc3)nn2Cc2ccccc2F)[C@@H]1c1ccc(Cl)cc1 1865683582 MYDVWEZGMGJADP-JOCHJYFZSA-N 456.908 5.609 50 10 JKGE Cc1ccc(C)c(Cn2nc(C(F)(F)F)c3c2OC(N)=C(C#N)[C@H]3c2ccc(Cl)cc2Cl)c1 1865684913 AVDQEOUTZSNMKA-GOSISDBHSA-N 493.316 6.092 50 10 JKGE CCCCOc1ccc([C@@H]2C(C#N)=C(N)Oc3c2c(CC)nn3-c2ccccc2Cl)cc1OC 1865697642 YNSZRASMMHFKFX-HSZRJFAPSA-N 478.980 5.494 50 10 JKGE COc1cc([C@H]2C(C#N)=C(N)Oc3c2c(C)nn3-c2ccccc2)ccc1OCc1ccc(Cl)cc1 1865700715 BSISAGWHOHXKQW-SANMLTNESA-N 498.970 5.640 50 10 JKGE Cc1nc(-c2ccc(Cl)cc2)ccc1C(=O)NNC(=O)[C@@H](C)Oc1ccc(C(C)C)cc1 1865755596 HJGUCFODNQECQO-QGZVFWFLSA-N 451.954 5.062 50 10 JKGE CC/C(=C\C(=O)N[C@@H](C(=O)Nc1ccc(SC#N)cc1)c1ccccc1)c1ccc(OC)cc1 1866687736 MQEADCOJIBSXRE-WFBCFIKKSA-N 471.582 5.558 50 10 JKGE CC[C@](C)(NC(=O)C[C@H](c1ccc(F)c(C)c1)C(C)C)C(=O)Nc1ccc(SC#N)cc1 1866766279 MBZGIWCBQJOISB-OFVILXPXSA-N 455.599 5.761 50 10 JKGE CCc1nc(Nc2ccc(SC#N)cc2)cc(N2CCC[C@H]2Cc2ccc(Cl)cc2)n1 1868278045 QOBAAYBLNBMSFQ-FQEVSTJZSA-N 450.011 6.221 50 10 JKGE COCCN1[C@@H](C)CN(c2cc(Nc3ccc(SC#N)cc3)nc(-c3ccc(C)cc3)n2)C[C@H]1C 1868320103 BJPNAZYSNKWQSW-OYRHEFFESA-N 488.661 5.314 50 10 JKGE Cc1cc(-c2csc(/C(C#N)=C(\O)c3ccc4c(c3)C(=O)N(Cc3ccccc3)C4=O)n2)ccc1F 1872749814 JOUCPMNONZNZIW-LVWGJNHUSA-N 495.535 6.004 50 10 JKGE N#C/C(=C(/O)CCc1nc2ccccc2[nH]c1=O)c1nc(-c2cccc3ccccc23)cs1 1872752311 WDBNCFLFABOZQU-CLCOLTQESA-N 450.523 5.625 50 10 JKGE Cc1cc(OCCC/C(O)=C(\C#N)c2nc(-c3c[nH]c4ccccc34)cs2)cc(C)c1Cl 1872753455 XWAMEAWLHMCKLO-NMWGTECJSA-N 463.990 7.214 50 10 JKGE Cc1cc(C)c(C)c(-c2csc(/C(C#N)=C(\O)CCCOc3ccc(C(C)(C)C)cc3)n2)c1C 1872754587 ZVDZPKGLBCBMHW-LCUIJRPUSA-N 474.670 7.993 50 10 JKGE COc1cc(Cl)c(C)cc1-c1csc(/C(C#N)=C(\O)c2ccc(N3CCCC3)c([N+](=O)[O-])c2)n1 1872757193 UGNCGAYIRUKXJL-QJOMJCCJSA-N 496.976 6.239 50 10 JKGE N#C/C(=C(/O)CCN1C(=O)c2ccccc2C1=O)c1nc(-c2cc(Cl)ccc2Cl)cs1 1872758181 OOIPCYGZJONTCK-MNDPQUGUSA-N 470.337 5.596 50 10 JKGE N#C/C(=C\c1ccc(OCc2ccc(Cl)cc2Cl)cc1)c1nc(-c2ccc(Cl)cc2)cs1 1872790156 OCOSEUCJAWPNAJ-YBFXNURJSA-N 497.834 8.413 50 10 JKGE Brc1ccc([C@H](Br)c2cc(I)sn2)s1 1884459976 QLYBPQXDCDYWAS-MRVPVSSYSA-N 464.973 5.056 50 10 JKGE Clc1sccc1[C@H](Br)c1cc(Br)ccc1OCc1ccccc1 1899850126 UECOILXZERNQBA-KRWDZBQOSA-N 472.629 7.227 50 10 JKGE Brc1cc(Br)c([C@@H](Br)[C@@H]2COc3ccccc3O2)s1 1922953494 DNUTZZDEKWFBEJ-JQWIXIFHSA-N 468.992 5.549 50 10 JKGE Clc1c(Br)sc(Br)c1[C@H](Cl)c1csc2c1CCCC2 1923038735 KLCNVWRQRJVWJO-SNVBAGLBSA-N 461.071 7.195 50 10 JKGE Fc1ccc([C@H](Br)c2c(Br)sc(Br)c2Cl)cc1F 1923040697 WAPABMBPHSFGFD-QMMMGPOBSA-N 481.381 6.689 50 10 JKGE C[C@@]1([C@@H](Br)c2c(Br)sc(Br)c2Br)CCOC1 1924614185 WZHSKMZDOXFUDK-OIBJUYFYSA-N 497.872 5.898 50 10 JKGE Cc1ccnc(C[C@@H](CBr)Cc2cccc(Br)c2)c1Br 1926834530 VRHPBZXJDQLNLY-ZDUSSCGKSA-N 462.023 5.711 50 10 JKGE CC(C)(C)OC(=O)NCCCN(Cc1ccccc1)C[C@@H](CBr)c1ccccc1 1959563774 AXZXODGSPBNMIV-JOCHJYFZSA-N 461.444 5.582 50 10 JKGE Clc1ccccc1C[C@@H](Br)c1cccc(Br)c1Br 2031482746 WIWUQJAKTTXPPT-GFCCVEGCSA-N 453.399 6.544 50 10 JKGE Brc1cc([C@H](Br)[C@@]23CCCC[C@H]2CCC3)sc1Br 2031752125 LDPHRKLFFDRYHL-DUFXMDAXSA-N 457.069 7.070 50 10 JKGE COc1ccc([C@H](Br)c2sc(Br)cc2C)cc1Br 2038506481 OVWFDIYFAQGCEL-LBPRGKRZSA-N 455.009 6.074 50 10 JKGE Fc1c(CC(CBr)(CBr)C2CC2)ccc(Cl)c1Br 2047992174 FVKGZISBOCXPQQ-UHFFFAOYSA-N 463.410 5.970 50 10 JKGE CC(C)(C)OC(=O)N1C[C@](C)(CO[Si](C)(C)C(C)(C)C)c2cc(Br)cc(C#N)c21 2069450502 QEKZXZJSHYHPBT-JOCHJYFZSA-N 481.507 6.355 50 10 JKGE Fc1ccc(-n2nc(CCl)c(I)c2C(F)(F)F)cc1C(F)(F)F 2079212371 RAEWPNVPAWLVEH-UHFFFAOYSA-N 472.529 5.392 50 10 JKGE Cc1ccc(-n2nc(CBr)c(Br)c2C(F)(F)F)cc1C(F)(F)F 2079229857 LDQPYTKUUFHYSN-UHFFFAOYSA-N 466.017 5.876 50 10 JKGE FC(F)(F)c1ccc(Cn2nc(CBr)c3c2C[C@H]2C[C@@H]32)c(Br)c1 2080759784 CMWBVGWPQJJHQJ-MWLCHTKSSA-N 450.096 5.267 50 10 JKGE Clc1ccc(CBr)c(OCc2ccc(Br)cc2Br)c1 2092259682 ACLHDUOZSNZWRV-UHFFFAOYSA-N 469.398 6.339 50 10 JKGE CCCCc1ccc([C@H](Br)c2csc(Br)c2Br)cc1 2093942264 ONBOFPWPBGIOOK-ZDUSSCGKSA-N 467.064 7.100 50 10 JKGE C[C@@H]1CCC[C@@](CBr)(Cc2cc(Cl)ccc2I)CC1 2100839648 USASJTKDULXVRM-WBMJQRKESA-N 455.605 6.469 50 10 JKGE C[C@H]1C[C@@H](CCOc2c(Br)cc(CBr)cc2Br)CO1 2103050661 OKIBLRMSNHXGMP-VHSXEESVSA-N 457.000 5.300 50 10 JKGE CC(C)(C)OC(=O)NC[C@H]1CC[S@@](=O)(=NCCCCCCCCCBr)C1 2106782326 PNZGAOLLEUBAEE-QUGAMOGWSA-N 453.487 5.125 50 10 JKGE Cc1cc(Br)c(F)c(C[C@@H](Br)c2ccc(Br)cc2)c1 2113492974 HXTMCIRSXRWVKC-CYBMUJFWSA-N 450.971 6.338 50 10 JKGE C[C@H]1CN(C(=O)c2csc(Br)c2Br)CC[C@H]1CCBr 2115846150 ZFQXAKPHOZCBOP-DTWKUNHWSA-N 474.056 5.156 50 10 JKGE Cc1cc(Br)c(CBr)c(Oc2cccc(Br)c2Cl)c1 2116826544 TUSJVJSNZVWGSB-UHFFFAOYSA-N 469.398 6.861 50 10 JKGE COC[C@@H]1CC[C@H](Cc2cc(Br)ccc2Br)C[C@H]1Br 2127214198 QGHKLTNFRKQHBN-JRPNMDOOSA-N 455.028 5.580 50 10 JKGE CC1(C)CCCN(Cc2c(Br)cccc2Br)[C@H]1CBr 2129320787 SRSICSCDDHFWKK-AWEZNQCLSA-N 454.044 5.597 50 10 JKGE Cc1cc([C@H](Br)c2c(Br)cc(F)c(Cl)c2F)oc1Br 2136962814 ZLNYHJAODUUGKC-VIFPVBQESA-N 479.340 6.529 50 10 JKGE FC(F)(F)CC1([C@@H](Br)c2ccc(Br)cc2Br)CCC1 2138869056 XXZNBLVJSQODDW-NSHDSACASA-N 464.945 6.770 50 10 JKGE COc1cc(Br)c(C)cc1[C@@H](Br)c1cc(Br)ccc1Cl 2145954235 CGJKTQXTSXSHHN-HNNXBMFYSA-N 483.425 6.666 50 10 JKGE Fc1cc2nc(CCl)n([C@@H]3CCOC[C@H]3OCc3ccccc3)c2cc1Br 2146520763 JNRYKYQDHLJXCJ-IEBWSBKVSA-N 453.739 5.224 50 10 JKGE C[C@@H](CBr)[C@@H]1CCCCN1C(=O)c1cccc(Br)c1Br 2148748206 AJDWHEWNTKOTIZ-GWCFXTLKSA-N 468.027 5.237 50 10 JKGE ClCc1nc2c(Br)cccc2n1Cc1scc(Br)c1Br 2150561909 KMCOYSNDZVVBBS-UHFFFAOYSA-N 499.453 6.172 50 10 JKGE Cc1cc(Br)c([C@H](Br)c2ccc(C3CC3)cc2)cc1Br 2153903493 UYQCVOXKTXKAFN-QGZVFWFLSA-N 459.019 6.882 50 10 JKGE CC1CCC2(CC1)[C@@H](Oc1c(Br)cccc1Br)C[C@H]2Br 2157076053 PDQHCTFEBAXHGK-BNTIEQFTSA-N 467.039 6.323 50 10 JKGE C[C@@H](Cl)c1nc2cc(I)ccc2n1[C@@H]1CCCN(Cc2ccccc2)CC1 2160560598 RKWXQPSXDPOOHM-VQIMIIECSA-N 493.820 6.168 50 10 JKGE BrC[C@]12CCC[C@H]1N(Cc1c(Br)cccc1Br)CCC2 2165245563 UXOJSEQNGFCDBP-HZPDHXFCSA-N 466.055 5.741 50 10 JKGE COc1ccc(C[C@@H](Br)c2ccc(I)c(Cl)c2)cc1F 2168399515 CDNKCZQYSFMGOV-LLVKDONJSA-N 469.519 5.771 50 10 JKGE CO[C@@](C)(COCc1ccccc1)Cn1c(CCl)nc2cc(Cl)c(Br)cc21 2169009900 SYLIJOHQYBHOFV-HXUWFJFHSA-N 472.210 5.813 50 10 JKGE O=C(c1ccc(Br)cc1Br)N(CCBr)Cc1ccsc1 2171085753 SOWDDLKTOYQFTL-UHFFFAOYSA-N 482.035 5.310 50 10 JKGE O=S(=O)(c1cc(Cl)cc(CBr)c1F)N(Cc1ccccc1)Cc1cccs1 2179862152 RXYZQDCNUGOJGU-UHFFFAOYSA-N 488.831 5.827 50 10 JKGE CN(c1cc(Br)cc(F)c1CBr)[C@@H]1C[C@@H]2C[C@H](OCc3ccccc3)C[C@@H]21 2190537161 LURSPPNXVJAWLR-QUJKESNLSA-N 497.246 6.303 50 10 JKGE CCn1cc(Br)c([C@@H](Br)c2cc(Br)c(OC)cc2F)n1 2202914380 TZIFSBPKKXKQKE-LBPRGKRZSA-N 470.962 5.060 50 10 JKGE CC1(C)OCCC[C@@H]1[C@@H](Br)c1c(Br)cc(Cl)c(Cl)c1Cl 2232510394 MRLOKIYTJCMLLV-RDDDGLTNSA-N 465.440 7.051 50 10 JKGE Cc1cc(Br)c([C@H](Br)[C@@]23CC[C@@H](C2)[C@@H](C)O3)c(C)c1Br 2235612224 NAFKORIXUJUOJU-LZJQFABFSA-N 467.039 6.222 50 10 JKGE COCc1cc(Br)c([C@H](Br)c2cc(C)c(Br)c(C)c2)s1 2235680294 WKUSFPMKHIKYQH-CQSZACIVSA-N 483.063 6.521 50 10 JKGE Cl[C@@H](c1c(Br)sc(Br)c1Br)[C@@H]1CCC12CCC2 2247326282 JNPUUKYRJVKDOA-IMTBSYHQSA-N 463.460 6.896 50 10 JKGE Cc1sc([C@H](Br)c2cccc(Br)c2Cl)c(Br)c1C 2253473089 KNMRRHSDLCOYQC-LLVKDONJSA-N 473.455 7.028 50 10 JKGE Cc1cc(Br)c([C@H](Br)c2cocc2Br)c(C)c1Cl 2258148652 OOWQOLATAKVFST-GFCCVEGCSA-N 457.387 6.559 50 10 JKGE COc1ccc([C@H](Br)c2ccc(Cl)c(I)c2)cc1Cl 2268278707 OWAHGHJOLPHISK-AWEZNQCLSA-N 471.947 6.091 50 10 JKGE Brc1cccc(CN2C[C@H](Br)C[C@H]3CCCC[C@H]32)c1Br 2279529209 LVWUTDJSUMKJMO-UXIGCNINSA-N 466.055 5.740 50 10 JKGE COc1ccc([C@@H](Br)c2c(C)cccc2Br)c(Br)c1Cl 2283562920 LQFXQRNXNVTQCP-CYBMUJFWSA-N 483.425 6.666 50 10 JKGE COCc1cc(Br)c([C@H](Br)c2cc(Br)c(F)cc2C)s1 2285940334 XLEJSMFFCKCJCT-CYBMUJFWSA-N 487.026 6.351 50 10 JKGE COc1ccc([C@@H](Br)c2c(F)cc(Br)c(F)c2Br)cc1 2288373256 HCBMJCXQJMNNBR-GFCCVEGCSA-N 470.933 5.983 50 10 JKGE CCOc1cc(C=C(C#N)C(=O)Nc2ccccc2)ccc1OCCOc1ccc(Cl)c(C)c1 2293476905 SMQISOIDSUCHEA-UHFFFAOYSA-N 476.960 6.051 50 10 JKGE COc1c(Br)cc(Cl)c(C)c1[C@@H](Cl)c1cc(Br)c(Cl)s1 2295271951 JUWSXNPYUIOKTL-NSHDSACASA-N 479.448 7.225 50 10 JKGE CC(C)c1ccc([C@@H](Br)Cc2cc(Br)cc(Br)c2)cc1 2295275557 WCTJBZDJSNDJNK-KRWDZBQOSA-N 461.035 7.014 50 10 JKGE CC(C)Cc1ccc([C@@H](Br)Cc2cc(Br)cc(Br)c2)s1 2295277527 RUDCWSHLODEVSA-HNNXBMFYSA-N 481.091 7.150 50 10 JKGE CCc1nn(C)c([C@@H](Cl)Cc2cc(Br)cc(Br)c2)c1Br 2295332814 BKVXTABHOWNXSR-NSHDSACASA-N 485.445 5.793 50 10 JKGE COc1cc(C)c(Cl)cc1[C@@H](Cl)c1cc(Br)ccc1I 2295361338 ZQTIIVKFWPPKCF-HNNXBMFYSA-N 485.974 6.352 50 10 JKGE N#CC(=Cc1cn(Cc2cccc(Cl)c2)c2ccccc12)C(=O)Nc1ccccc1[N+](=O)[O-] 2295422639 UYYWWUUGAKLJOK-UHFFFAOYSA-N 456.889 5.797 50 10 JKGE Cc1ccc(Cc2cnc(NC(=O)C(C#N)=Cc3ccc(-c4cccc(Cl)c4)o3)s2)cc1 2296832307 QTKFFNIGHRWHPW-UHFFFAOYSA-N 459.958 6.501 50 10 JKGE FC(F)(F)[C@@H]1C[C@H]1[C@@H](Br)c1cc(Br)ccc1OCc1ccccc1 2299504165 LJATZRUCMKFYDY-FRFSOERESA-N 464.119 6.663 50 10 JKGE FC1(F)CC[C@H]([C@H](Br)c2cc(Br)ccc2OCc2ccccc2)C1 2299531558 WZWSRSAFWSYOPP-KSSFIOAISA-N 460.156 6.900 50 10 JKGE CC(C)N(Cc1ccc(I)c(Br)c1)C[C@@H](C)Br 2306219330 KWKXUBVQTWAALE-SNVBAGLBSA-N 475.006 5.048 50 10 JKGE C[C@@H](C1CCCCC1)[C@@H](Br)c1ccc(OCc2ccccc2)cc1Br 2314458200 CCXHMUUMLIWDBI-KSFYIVLOSA-N 466.257 7.681 50 10 JKGE Cc1ccc(-c2csc(C(C#N)=Cc3ccccc3OCC(=O)Nc3nccs3)n2)cc1 2314490211 WBKVFCBDTMXNIZ-UHFFFAOYSA-N 458.568 5.657 50 10 JKGE Cc1ccc(N2C(=O)[C@@H](Cc3ccc(F)cc3)SC2=C(C#N)C(=O)Nc2ccccc2)cc1C 2314592461 UKYKFSHVISSTNU-XMMPIXPASA-N 471.557 5.508 50 10 JKGE Cc1ccc(N2C(=O)[C@H](Cc3ccccc3F)SC2=C(C#N)C(=O)NCc2ccccc2)cc1C 2314592842 CTBOCPJGYIJABN-VWLOTQADSA-N 485.584 5.185 50 10 JKGE COc1ccc(N2C(=O)[C@@H](Cc3ccccc3C)SC2=C(C#N)C(=O)N[C@H](C)c2ccccc2)cc1 2314593790 SWOAEVLIVNZHFZ-FQRUVTKNSA-N 497.620 5.307 50 10 JKGE CCc1ccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)C=Cc4ccccc4Cl)ccc32)cc1 2314634358 HTFLUZLBSKWIJY-SANMLTNESA-N 456.929 5.739 50 10 JKGE CN(Cc1ccc(I)c(Br)c1)[C@H]1CCCC[C@H]1Br 2325211357 HVZFSXBQKRJIBR-RISCZKNCSA-N 487.017 5.192 50 10 JKGE CC(C)(C)OC(=O)N1CCC[C@H]1C(=O)NN=Cc1ccccc1OCc1ccc(Cl)cc1Cl 2328829452 DEUIAKZXVXYVEV-FQEVSTJZSA-N 492.403 5.422 50 10 JKGE CC(C)(C)c1ccc(-c2csc(C(C#N)=C(O)CCc3nc4ccccc4[nH]c3=O)n2)cc1 2331332721 BTIBPGWGYPANRZ-UHFFFAOYSA-N 456.571 5.770 50 10 JKGE CCOc1ccc(OCC)c(-c2csc(C(C#N)=C(O)C=Cc3cccc([N+](=O)[O-])c3)n2)c1 2331376483 IVFHOPDUMONGAW-UHFFFAOYSA-N 463.515 6.022 50 10 JKGE COc1ccc(-c2csc(C(C#N)=C(O)C=Cc3cc(OC)c(OC)c(OC)c3)n2)c(OC)c1 2331385728 ZAGUJCFVGUOSCX-UHFFFAOYSA-N 480.542 5.359 50 10 JKGE Cc1ccc(C(C)(C)C)cc1-c1csc(C(C#N)=C(O)CCCOc2ccc(C(C)(C)C)cc2)n1 2331397152 NEPLBKVGVUGBBV-UHFFFAOYSA-N 488.697 8.365 50 10 JKGE COc1ccc(OC)c(C=CC(O)=C(C#N)c2nc(-c3cc(Cl)c(OC)c(Cl)c3)cs2)c1 2331397705 WPSSDAYQLRGKTL-UHFFFAOYSA-N 489.380 6.649 50 10 JKGE COc1ccc(Cl)cc1-c1csc(C(C#N)=C(O)CCCOc2ccc3ccccc3c2)n1 2331411007 CZTQASLNTBTMRK-UHFFFAOYSA-N 476.985 7.277 50 10 JKGE COc1ccc(Cl)cc1-c1csc(C(C#N)=C(O)[C@@H](C)Oc2ccc(C(C)C)cc2)n1 2331411046 HMJOHZXQHDZXJI-OAHLLOKOSA-N 454.979 6.856 50 10 JKGE CCCc1sc(Br)cc1[C@H](Br)c1cc(Br)ccc1C 2338024488 UZUGXZRRJRKJNG-OAHLLOKOSA-N 467.064 7.018 50 10 JKGE COc1c(Br)cc(C)c([C@@H](Cl)c2occc2Br)c1Br 2339638566 CDIIQNMEXWMCOO-LLVKDONJSA-N 473.386 6.212 50 10 JKGE COc1c(Br)cc(C)c([C@H](Br)[C@@H]2C[C@H]2C(C)C)c1Br 2339639809 QUPOYXKSZCKIQJ-OPQQBVKSSA-N 455.028 6.257 50 10 JKGE Cc1cc(Br)c(F)c(Br)c1[C@@H](Br)[C@H]1CCCOCC1 2339680906 BWPWHGJJZNULEW-CABZTGNLSA-N 458.991 5.912 50 10 JKGE CC1(C)CN(Cc2ccc(Cl)cc2I)C[C@H]1CCBr 2341024170 DSKUVWCACQOEQV-GFCCVEGCSA-N 456.593 5.188 50 10 JKGE ClC[C@H](Cc1ccc(Cl)cc1I)c1ccccc1Br 2341053383 XUYVBKPEWKYANU-NSHDSACASA-N 469.975 6.272 50 10 JKGE Clc1ccc(I)cc1CN[C@@H](CBr)C1CCCCC1 2352418304 TWRVEDCVZYUNCL-HNNXBMFYSA-N 456.593 5.378 50 10 JKGE Cc1nc(Br)c([C@@H](Br)c2scc(C(F)(F)F)c2Br)n1C 2362443424 ZSEQWQKMIVRILM-SSDOTTSWSA-N 496.972 5.818 50 10 JKGE Brc1cccc(Br)c1CO[C@@H]1C[C@@H](Br)C12CCCCC2 2366184326 HFSXFGHSYZYWGL-HUUCEWRRSA-N 467.039 6.215 50 10 JKGE CC1CCC([C@@H](CBr)NC(=O)c2csc(Br)c2Br)CC1 2379736839 LXBQLXHQHGRIDK-NWGYLPEXSA-N 488.083 5.593 50 10 JKGE CCc1cc(Br)c(OC)c([C@H](Br)c2cc(Br)sc2C)c1 2381258542 SJHGREFJKNVOTB-CQSZACIVSA-N 483.063 6.637 50 10 JKGE N#C/C(=C(\Nc1cccc(Cl)c1)SCc1ccc(F)cc1)S(=O)(=O)c1ccccc1 12437644 IOWKENUSFSPHAU-DQRAZIAOSA-N 458.967 5.991 50 10 JKGE N#C/C(=C\c1ccc(OCc2ccccc2)c(OCc2ccccc2)c1)c1nc2ccccc2s1 15912886 PZYAISJUGNSUQF-KOEQRZSOSA-N 474.585 7.518 50 10 JKGE Cc1cc([N+](=O)[O-])ccc1NC(=O)/C(C#N)=C\c1ccc(-c2ccc([N+](=O)[O-])cc2Cl)o1 33929994 ZRGQDMXNYACCHR-LCYFTJDESA-N 452.810 5.271 50 10 JKGE CCOc1cc(/C=C(/C#N)c2nc(O)c3ccccc3n2)ccc1OCC(=O)Nc1cccc(C)c1 34988311 KDSYSVLVCWNQAL-ZHZULCJRSA-N 480.524 5.124 50 10 JKGE CCCOc1ccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)COc4cccc(C)c4C)ccc32)cc1 38650695 SFPONWBSDKFDDH-MUUNZHRXSA-N 484.552 5.295 50 10 JKGE CCCCNC(=O)/C(C#N)=C/c1ccc(OC(=O)CCCOc2cc(C)c(Cl)c(C)c2)cc1 40991472 BOYZBYMBNLWEES-LTGZKZEYSA-N 468.981 5.545 50 10 JKGE CNC(=O)/C(C#N)=C/c1cc(C)n(-c2sc3c(c2C(=O)Nc2ccc(C)cc2)CCCC3)c1C 59303472 SYZJHWUOWXCDFT-XSFVSMFZSA-N 472.614 5.248 50 10 JKGE Cc1ccc(-n2c(C)cc(/C=N/NC(=O)c3cc4cc(Br)ccc4o3)c2C)c(C)c1 59304267 VOXZLFKGAIEWCS-LGJNPRDNSA-N 464.363 5.984 50 10 JKGE O=C(COc1ccc(Cl)cc1Cl)N/N=C/c1cccn1-c1ccc(Br)cc1 59678948 FCECWALYKCYLGB-FOKLQQMPSA-N 467.150 5.076 50 10 JKGE COC(=O)c1cc(C(C)C)sc1NC(=O)/C(C#N)=C\c1c[nH]nc1-c1ccc(Br)cc1 96438537 RHDGURMZHQNMHU-ZSOIEALJSA-N 499.390 5.356 50 10 JKGE COc1cc(/C=C(/C#N)C(=O)Nc2nc3ccccc3s2)ccc1OCCOc1ccccc1 102444111 LUOFQYQVZXXYHQ-CYVLTUHYSA-N 471.538 5.308 50 10 JKGE Brc1cc([C@H](Br)[C@H]2Cc3ccccc3O2)c(Br)s1 109869930 MLCPMVHKEOWBRB-PWSUYJOCSA-N 452.993 5.713 50 10 JKGE CCOc1ccc(Br)cc1[C@@H](Cl)c1cc(Br)ccc1Br 161072860 PGBJCFYXTQMYGH-HNNXBMFYSA-N 483.425 6.701 50 10 JKGE CCCCCCOc1ccc(/C=C(/C#N)C(=O)NC(c2ccccc2)c2ccccc2)cc1OC 206234468 NEAZGKSCVBLNBH-QOMWVZHYSA-N 468.597 6.467 50 10 JKGE N#C/C(=C/c1ccc(OC(=O)/C=C\c2ccccc2)cc1)c1nc(-c2ccc3ccccc3c2)cs1 210604503 DXIFLRJHZQCULS-ZPCDQOAHSA-N 484.580 7.646 50 10 JKGE COc1c(C)cc([C@@H](Br)c2ccc(I)c(Cl)c2)cc1C 232345150 USBAGVMXFHJALG-HNNXBMFYSA-N 465.556 6.054 50 10 JKGE COc1cc(C)c(Br)cc1[C@H](Br)c1cc(Cl)cc(Br)c1 234805206 AYWHZDFHDYCJAW-OAHLLOKOSA-N 483.425 6.666 50 10 JKGE COc1ccc([C@H](Br)c2csc(Br)c2)c(OC)c1Br 235002583 NOICUXAFUSIOGD-LLVKDONJSA-N 471.008 5.775 50 10 JKGE O=C(NN=Cc1cc(Br)ccc1OCc1ccc(Cl)cc1Cl)c1ccncc1 252621350 MWHMSHUIVDIWBO-UHFFFAOYSA-N 479.161 5.494 50 10 JKGE CC(C)(C)c1cc(C=NNC(=O)C2=NNC(c3ccccc3)(c3ccccc3)C2)cc(C(C)(C)C)c1O 252636731 XLQMXKTYYILIBY-UHFFFAOYSA-N 496.655 5.730 50 10 JKGE CC(=NNC(=O)CSCc1ccc(F)cc1Cl)c1cccc(NC(=O)c2sccc2C)c1 254631180 QKKBZKXHHIJRLY-UHFFFAOYSA-N 490.025 5.875 50 10 JKGE Cc1cccc(-n2c(C)cc(C=NNC(=O)c3ccccc3NS(=O)(=O)c3cccs3)c2C)c1 254699557 HBEVOMLMHMNQSF-UHFFFAOYSA-N 492.626 5.029 50 10 JKGE BrCc1cc2c(I)c(I)ccc2s1 307304482 QLCHXRHFNSFHTI-UHFFFAOYSA-N 478.918 5.005 50 10 JKGE BrCc1ccc(Br)cc1N1C[C@H]2CCN(Cc3ccccc3)C[C@H]2C1 310795886 ACWLLXBQEGHGMH-MOPGFXCFSA-N 464.245 5.302 50 10 JKGE C[C@H](Cl)c1nc2cc(I)ccc2n1C[C@]1(C)CCN(Cc2ccccc2)C1 312570826 ZHXWXBKVDAWCJV-KSFYIVLOSA-N 493.820 5.853 50 10 JKGE C[C@H](Cl)c1nc2cc(Br)c(F)cc2n1C[C@@H]1CCN(Cc2ccccc2)C1 380170050 BAHOGHJCPFLYDX-GOEBONIOSA-N 450.783 5.760 50 10 JKGE Cc1cc(Br)c([C@@H](Br)c2cc(C)c(Br)cc2C)cc1Cl 380611002 PTNCSLPAVPTECD-INIZCTEOSA-N 481.453 7.275 50 10 JKGE Cc1cccc(C(CBr)(CBr)Cc2ccc(Br)o2)c1 380829058 SARDKUVUBQWTPG-UHFFFAOYSA-N 450.996 5.621 50 10 JKGE CC(C)[Si](OC[C@@H](C)[C@H]1CC[C@H]2[C@H]3CC=C4CC(=O)CC[C@]4(C)[C@@H]3CC[C@@]21C)(C(C)C)C(C)C 605696413 YGIHNOOJRCPWAC-NXEBGESXSA-N 486.857 8.963 50 10 JKGE in-vitro Cl[C@H](c1ccc(I)cc1)c1cc(Br)cc2c1OCCC2 688411699 MKEMUUZYSBUNJF-OAHLLOKOSA-N 463.540 5.707 50 10 JKGE COCc1csc([C@@H](Br)c2cc(Br)ccc2Br)c1 689988599 RJYCLCDDPRBRAG-ZDUSSCGKSA-N 455.009 5.904 50 10 JKGE Clc1ccc(Br)c(CC(CBr)(CBr)C2CCCCC2)c1 696838317 QHIKSYNGPTZHNH-UHFFFAOYSA-N 487.501 7.002 50 10 JKGE BrCc1cc(Br)c(OCC[C@@H]2C[C@H]2C2CC2)c(Br)c1 714877902 JXVKPSRETZHITD-NEPJUHHUSA-N 453.012 5.922 50 10 JKGE O=C(Nc1ccc(Cl)cc1)[C@@H](c1cccs1)N(C(=O)CCl)c1cccc(C(F)(F)F)c1 725237194 BBNJLAOVNUZSCN-LJQANCHMSA-N 487.330 6.372 50 10 JKGE Cc1cc(C=NNC(=O)c2cc3cc(Br)ccc3o2)c(C)n1-c1cccc(Cl)c1 1084442061 TUHRXMZQGIAGFJ-UHFFFAOYSA-N 470.754 6.020 50 10 JKGE CCCc1nn(-c2cccc3ccccc23)c2c1[C@H](c1ccc(C(C)(C)C)cc1)C(C#N)=C(N)O2 1865682472 PIWGSHZYGQTSGF-AREMUKBSSA-N 462.597 6.494 50 10 JKGE N#CC1=C(N)Oc2c(c(C(F)(F)F)nn2Cc2cccc(Cl)c2)[C@H]1c1c(Cl)cccc1Cl 1865685454 IXILCQISEMVWGN-OAHLLOKOSA-N 499.707 6.129 50 10 JKGE COc1ccc(-c2nn(-c3ccc(Cl)c(Cl)c3)c3c2[C@H](c2cccnc2)C(C#N)=C(N)O3)cc1 1865700457 UJHJAOLGIRGFHQ-OAQYLSRUSA-N 490.350 5.468 50 10 JKGE CCCn1nc(C)c2c1OC(N)=C(C#N)[C@H]2c1ccc(OCc2ccccc2C)c(OCC)c1 1865703388 UZMPBIHQEQKWIT-RUZDIDTESA-N 458.562 5.106 50 10 JKGE COc1ccc(-c2nn(C)c3c2[C@@H](c2ccc(OCc4ccccc4Cl)cc2)C(C#N)=C(N)O3)cc1 1865703526 AJGAOWAQVAFZER-DEOSSOPVSA-N 498.970 5.546 50 10 JKGE COc1ccc(-c2nn(Cc3ccc(Cl)cc3)c3c2[C@@H](c2ccccc2O)C(C#N)=C(N)O3)cc1 1865708629 ZQNMMCLUDHYFSC-QHCPKHFHSA-N 484.943 5.184 50 10 JKGE COC(=O)c1ccc([C@@H]2C(C#N)=C(N)Oc3c2c(-c2ccccc2)nn3-c2ccccc2Cl)cc1 1865709648 ZDZGUMOWLHPTIS-JOCHJYFZSA-N 482.927 5.197 50 10 JKGE C/C(=N/NC(=O)c1ccc(-c2ccc(Cl)cc2Cl)nc1C)c1ccc(Br)cc1 1865763431 LRNZBLGWXAWNLN-ZRGSRPPYSA-N 477.189 6.280 50 10 JKGE C[C@H](/C(O)=C(\C#N)c1nc(-c2ccc(Br)cc2)cs1)N1C(=O)c2ccccc2C1=O 1872746498 KXBNRVXOESLLKU-JFLJVCDGSA-N 480.343 5.050 50 10 JKGE COc1c(C)cc(Cl)cc1-c1csc(/C(C#N)=C(\O)Cc2ccc(NC(C)=O)cc2)n1 1872756842 CYMHVEANCRTRDG-VZCXRCSSSA-N 453.951 5.774 50 10 JKGE FC(F)(F)[C@@H](Br)CSc1cc(I)ccc1Br 1900779691 JBAQQHSMOVNQKI-QMMMGPOBSA-N 489.920 5.472 50 10 JKGE Fc1cccc(C[C@@H](Cl)c2c(Br)sc(Br)c2Cl)c1F 1923066331 OKPLIGMCRLQFHB-ZCFIWIBFSA-N 450.957 6.727 50 10 JKGE Brc1sc(Br)c([C@@H](Br)[C@@H]2CCCO2)c1Br 1924575967 IBQJBMVAPZDOBU-NJGYIYPDSA-N 483.845 5.651 50 10 JKGE CCc1sc(Br)cc1[C@@H](Br)c1sccc1I 1937442119 DURHIXFJSVKYTK-SNVBAGLBSA-N 492.039 6.223 50 10 JKGE Cl[C@H](c1csc(I)c1)c1cc(C2CC2)c(Br)s1 1945803564 LIZYVAFXVCNRAG-LLVKDONJSA-N 459.599 6.382 50 10 JKGE Cc1cc(Br)c([C@@H](Br)C2(Br)CCC2)cc1Br 1980141905 GNCDXDCKYRJHEV-LLVKDONJSA-N 475.844 6.274 50 10 JKGE CC(C)(C)N(Cc1ccccc1)S(=O)(=O)c1ccc(Br)c(CBr)c1 2009711160 TYKQRMJFKZXYQQ-UHFFFAOYSA-N 475.246 5.333 50 10 JKGE Cc1c(Br)ccc([C@@H](Cl)c2ccc(Br)s2)c1Br 2024279472 NZYYRXZPXCKIMM-GFCCVEGCSA-N 459.428 6.672 50 10 JKGE Brc1scc([C@@H](Br)c2ccc3c(c2)CCO3)c1Br 2032958850 NJKUCLKANJYUKS-NSHDSACASA-N 452.993 5.692 50 10 JKGE CCN(c1cc(Br)cc(F)c1CBr)[C@@H]1CCN(Cc2ccccc2)C1 2051132739 GAAGVOICAQTQET-QGZVFWFLSA-N 470.224 5.584 50 10 JKGE CC(F)(F)C1([C@H](Cl)c2c(Br)sc(Br)c2Br)CCC1 2069945800 SEEUXVKBQBZUSK-SSDOTTSWSA-N 487.429 7.141 50 10 JKGE Cc1ccc(Br)c([C@@H](Cl)c2ccc(Br)cc2Br)c1 2083319866 CVUZJNBWJYZCAT-AWEZNQCLSA-N 453.399 6.611 50 10 JKGE C[C@@H](Br)C12CCC(CC1)N2Cc1cc(Cl)ccc1I 2097064835 LXKRUTFLZSWYBZ-ZZJLNTIPSA-N 454.577 5.225 50 10 JKGE CC(C)(CBr)[C@@H]1CCCN1Cc1cc(Cl)ccc1I 2099631987 YFXXKZIGXJAHDV-AWEZNQCLSA-N 456.593 5.330 50 10 JKGE CC1(C)C[C@@H](CBr)CN(C(=O)c2scc(Br)c2Br)C1 2115954075 NISPHHUSRCVSIC-QMMMGPOBSA-N 474.056 5.156 50 10 JKGE O=C(N[C@H](CBr)c1ccsc1)c1cc(Br)cc(Br)c1 2119038373 IPWAQROWFULFRC-GFCCVEGCSA-N 468.008 5.139 50 10 JKGE CC12CC([C@@H](Cl)c3c(Br)sc(Br)c3Br)(C1)C(C)(C)O2 2121886029 QCLGQACLVRYQIM-LHKGTJRUSA-N 493.486 6.663 50 10 JKGE O=S(=O)(c1ccc(CBr)cc1F)N(Cc1ccccc1)Cc1cccs1 2123201555 YKQKLLODMUSRAP-UHFFFAOYSA-N 454.386 5.173 50 10 JKGE CC(C)(C)OC(=O)N1CCC[C@](CI)(O[C@@H]2CCC[C@H]3CCCC[C@H]32)C1 2136423419 MVVKSGCYPPLKEO-NEYJZJCJSA-N 477.427 5.567 50 10 JKGE COc1c(Cl)cc(Br)cc1[C@H](Br)c1ccc(Br)cc1 2138240143 AWNIGOWIAKQKHS-CYBMUJFWSA-N 469.398 6.358 50 10 JKGE BrCc1cc(Br)cc(Br)c1OC[C@@H]1CC[C@H]2C[C@H]1CO2 2144240343 OWMINWNLEUEGBR-GAFUQQFSSA-N 469.011 5.300 50 10 JKGE BrCc1ccc(N2CCCc3ccc(Br)cc32)cc1Br 2145162874 YEFZUDHEWDXJTO-UHFFFAOYSA-N 460.007 6.191 50 10 JKGE COc1cc(Br)c(C)cc1[C@@H](Cl)c1ccc(F)cc1I 2145955190 GFZWASFMVPEVOY-HNNXBMFYSA-N 469.519 5.838 50 10 JKGE CC(C)(C)[C@@H]1C[C@H](CBr)CN(Cc2ccc(I)cc2)C1 2165008925 PUEMXDPPMJUYPM-HUUCEWRRSA-N 450.202 5.170 50 10 JKGE Fc1cc(Br)cc(N2CC[C@H]3[C@@H](CCCN3Cc3ccccc3)C2)c1CBr 2170697191 PJJHGEKWWOTUTR-UWJYYQICSA-N 496.262 5.974 50 10 JKGE COc1cc(C)c([C@@H](Br)c2c(C)cccc2Br)cc1Br 2198737615 QYBAHMLQOTWTRL-MRXNPFEDSA-N 463.007 6.321 50 10 JKGE COc1cc(Cl)c([C@H](Br)c2cc(F)cc(Br)c2)cc1Br 2202350561 FOIJDCJOCRAMFF-CQSZACIVSA-N 487.388 6.497 50 10 JKGE Fc1ccc([C@@H](Br)c2ccc(I)c(Cl)c2)c(F)c1F 2225926969 CPFSORNMRPBXHB-NSHDSACASA-N 461.446 5.846 50 10 JKGE CCc1occc1[C@H](Br)c1c(Br)cc(C)c(Br)c1C 2227349520 RYKPIOSIICEUQR-HNNXBMFYSA-N 450.996 6.468 50 10 JKGE Fc1ccc([C@H](Br)Cc2ccc(Br)cc2Cl)cc1Br 2229153790 OYADZABKUPFYPZ-LLVKDONJSA-N 471.389 6.683 50 10 JKGE Cc1cc(Br)c([C@H](Cl)c2c(Br)cc(C)c(Br)c2C)s1 2229317517 JHAOUFZPQZFFOJ-CYBMUJFWSA-N 487.482 7.289 50 10 JKGE Cc1cc(Br)c(C)c([C@H](Br)[C@@H]2OC[C@@H]3CCC[C@@H]32)c1Br 2233180584 BURZAWNAYRMBAW-KUDNYVPYSA-N 467.039 6.080 50 10 JKGE Fc1cc(Br)c(Br)cc1[C@H](Br)C1CC2(C1)CC21CCC1 2233977316 UFQMSHGMBVZFPO-WWHNBRCNSA-N 467.014 6.757 50 10 JKGE Cc1cc(Br)c([C@H](Br)C2C[C@H]3CCC[C@@H]3C2)c(C)c1Br 2235608273 IWBSIDNIMKRTOJ-PSTGCABASA-N 465.067 7.091 50 10 JKGE Cc1cc(Br)c([C@H](Br)c2cscc2C(F)F)c(C)c1Br 2235614944 MWZLRWRHCFRPLZ-CYBMUJFWSA-N 489.017 7.312 50 10 JKGE Cl[C@H](c1c(Br)sc(Br)c1Br)[C@H]1CCC12CCC2 2247326283 JNPUUKYRJVKDOA-MUWHJKNJSA-N 463.460 6.896 50 10 JKGE CCc1cc([C@H](Br)c2c(Br)c(C)nn2C)sc1Br 2255979045 JSRGEOFWIVVBBF-JTQLQIEISA-N 457.029 5.362 50 10 JKGE COc1cc(OC)c([C@H](Br)c2ccc(Br)s2)cc1Br 2278039910 MFCXVPSTKTZBCS-ZDUSSCGKSA-N 471.008 5.775 50 10 JKGE COc1ccc([C@@H](Br)c2cc3cscc3s2)c(Br)c1Cl 2283559495 GWNNYATWISOCFW-GFCCVEGCSA-N 452.620 6.872 50 10 JKGE CCCC1CCC([C@@H](Br)Cc2cc(Br)cc(Br)c2)CC1 2295333214 HRBJYVPEVIOEJF-AJUCZRQESA-N 467.083 7.124 50 10 JKGE CCOC(=O)c1sc(NC=C(C#N)c2nc(-c3ccc(OC)cc3)cs2)c(C(=O)OCC)c1C 2297510305 VJHRURFBNPRWSF-UHFFFAOYSA-N 497.598 5.519 50 10 JKGE O[C@H](c1c(Cl)cc(Br)c(F)c1Br)C1CC(Br)C1 2300207273 XUCFQZUSENSZOV-UTNXVAPVSA-N 451.355 5.211 50 10 JKGE FC(F)[C@@H]1CCC[C@H]1[C@H](Br)c1sc(Cl)cc1I 2300955779 QFTKUGUWRMHSON-KCRUCZTKSA-N 455.533 6.124 50 10 JKGE CCOc1cc(C=C(C#N)C(=O)N(C)C)c(Br)cc1OCc1ccc(Cl)cc1 2313567790 KVKJWOHTFMIWDH-UHFFFAOYSA-N 463.759 5.075 50 10 JKGE C=CCc1cc(C=C(C#N)C(=O)Nc2ccc(C)cc2)cc(Br)c1OCc1ccccc1 2313567986 NBSNQYLYIYGXKW-UHFFFAOYSA-N 487.397 6.611 50 10 JKGE COc1cccc(C=C(C#N)C(=O)Nc2ccc(Cl)cc2)c1OCc1ccc(Cl)cc1Cl 2313631350 OMDBFQZCDOGMGJ-UHFFFAOYSA-N 487.770 6.780 50 10 JKGE COc1cc(C=C(C#N)C(=O)Nc2c(C)cccc2C)ccc1OCc1ccc(Br)cc1 2313667553 PEWCGUASNDVYGJ-UHFFFAOYSA-N 491.385 6.199 50 10 JKGE N#CC(=Cc1ccc(OC(=O)c2ccc(Cl)cc2Cl)cc1)C(=O)Nc1cccc2ccccc12 2313675859 XHJKGHXVYWNZKE-UHFFFAOYSA-N 487.342 6.911 50 10 JKGE Fc1cc([C@H](Br)c2cc(Br)ccc2OCc2ccccc2)ccc1Cl 2314448303 GSRNXRLNVWLVFK-FQEVSTJZSA-N 484.590 7.305 50 10 JKGE N#CC(=C(O)c1cc(Br)cnc1Cl)c1nc2cc(C(F)(F)F)ccc2s1 2314482974 IOOPHDAGKHCZSJ-UHFFFAOYSA-N 460.662 6.076 50 10 JKGE N#CC(=Cc1ccc(-c2ccc(Cl)cc2Cl)o1)C(=O)Nc1ccccc1C(F)(F)F 2314572218 WFBSZZLJZMAYSX-UHFFFAOYSA-N 451.231 6.818 50 10 JKGE COC(C)(C)C1([C@@H](Br)c2c(Br)sc(Br)c2Cl)CC1 2320464418 YXYROSIZCONQGN-QMMMGPOBSA-N 481.475 6.568 50 10 JKGE CCN(CC)c1ccc(C=NNC(=O)c2ccc(-c3ccc(Cl)c(Cl)c3)nc2C)cc1 2321248700 VHTFGALDIVHKQG-UHFFFAOYSA-N 455.389 5.974 50 10 JKGE CCc1cccc(CC)c1NC(=O)C(C#N)=CNc1ccc(I)cc1C 2325125736 YHGSAOIJFTTZRO-UHFFFAOYSA-N 459.331 5.183 50 10 JKGE C[C@@H](NC=C(C#N)C(=O)Nc1ccccc1Sc1ccccc1)C12CC3CC(CC(C3)C1)C2 2325336251 WVKAQCKIHMRHIW-AOXVDABRSA-N 457.643 6.378 50 10 JKGE Cc1ccc2c(c1)nc(C(C#N)=Cc1ccc(N3N=C(c4ccccc4)C[C@H]3c3ccccc3)cc1)n2C 2331019258 DLJPVUYIISJEQK-YTTGMZPUSA-N 493.614 7.302 50 10 JKGE COc1ccc(OC)c(-c2csc(C(C#N)=C(O)[C@H]3CC(=O)N([C@H](C)c4ccccc4)C3)n2)c1 2331325075 GTZLGSHUZNMJBD-AEFFLSMTSA-N 475.570 5.230 50 10 JKGE CC[C@@H](C)N1C(=O)c2ccc(C(O)=C(C#N)c3nc(-c4c[nH]c5ccccc45)cs3)cc2C1=O 2331346717 FSKRSWXEKXWXAJ-CQSZACIVSA-N 468.538 5.636 50 10 JKGE COc1cc(C)c(-c2csc(C(C#N)=C(O)[C@@H]3CC(=O)N(C(C)(C)C)C3)n2)cc1C(C)C 2331354015 YMBJFCHZBZCPSC-MRXNPFEDSA-N 453.608 5.690 50 10 JKGE COc1ccc(-c2csc(C(C#N)=C(O)c3cc(OC)c(OC)c(OC)c3)n2)c(C)c1C 2331361328 JLZPCBJZNZZTEA-UHFFFAOYSA-N 452.532 5.411 50 10 JKGE CCOc1ccc(-c2csc(C(C#N)=C(O)c3ccc([N+](=O)[O-])c(C)c3)n2)c(OCC)c1 2331389248 IQAJDNSFKSDKOT-UHFFFAOYSA-N 451.504 5.774 50 10 JKGE COc1ccc(-c2csc(C(C#N)=C(O)[C@@H]3CC(=O)N(Cc4ccccc4)C3)n2)cc1Cl 2331398292 DJEJZHBFWVPJRC-QGZVFWFLSA-N 465.962 5.313 50 10 JKGE COc1cc(C=C(C#N)c2nc(-c3ccc(F)c(C)c3)cs2)ccc1OC(=O)c1ccccc1 2331449069 IORRAXZEOIVDFY-UHFFFAOYSA-N 470.525 6.550 50 10 JKGE CO[C@@H]1C[C@@]2([C@H](Br)c3c(C)c(Br)cc(C)c3Br)C[C@@H]12 2332925773 PXZYFMWLZZQVEQ-PVRXDPTQSA-N 453.012 5.689 50 10 JKGE Brc1ccc(OCc2ccccc2)c([C@H](Br)C2CC3(C2)CC32CCC2)c1 2336041548 OVDFYHTUYSDIRN-VSZUSUSQSA-N 476.252 7.435 50 10 JKGE CC(C)(C)[C@H]1C[C@H](CBr)CN(Cc2sccc2I)C1 2338763970 WKWLPHUSQANOKT-NEPJUHHUSA-N 456.231 5.232 50 10 JKGE COc1c(Br)cc(C)c([C@H](Br)[C@@H]2CCCOC2)c1Br 2339639015 HUEFMXYDMBAISS-BXKDBHETSA-N 457.000 5.391 50 10 JKGE Cc1cc(Br)c(F)c(Br)c1[C@H](Br)c1ccc(F)cc1 2339645963 MSPFHVXVLXLUNL-GFCCVEGCSA-N 454.934 6.283 50 10 JKGE Clc1ccc(C[C@@]2(CBr)CCCCC23CC3)c(I)c1 2341049508 LRROARCKNFRRNZ-MRXNPFEDSA-N 453.589 6.223 50 10 JKGE Cl[C@@H]1CCC[C@H]2CC[C@H]1N2Cc1ccc(I)c(Br)c1 2349851616 FEUOLZUILZYYAO-NJZAAPMLSA-N 454.577 5.178 50 10 JKGE Fc1cccc([C@H](Br)CCc2cc(I)ccc2Cl)c1 2352432112 OXVNKHGNYIJGFK-CQSZACIVSA-N 453.520 6.153 50 10 JKGE Fc1c(Br)cc(Cl)c([C@@H](Br)C2CC(CC3CC3)C2)c1Br 2362234921 JKDYONNPCSIBTC-RPTIHFLNSA-N 489.448 7.266 50 10 JKGE Fc1c(Br)cc(Cl)c([C@H](Cl)[C@H]2CCCCC2(F)F)c1Br 2362241310 VXKYMPMQBBLURK-KSBSHMNSSA-N 454.939 7.110 50 10 JKGE Cc1cc(Br)c(F)c(Br)c1[C@H](Br)C1CC(C(C)(C)C)C1 2365190373 DQUZJIGSPWTOPY-SRHKJQAYSA-N 471.046 7.167 50 10 JKGE Cc1cc(Br)c(F)c(Br)c1[C@H](Br)[C@@]12COC[C@H]1C2(F)F 2365223958 SOGMDQHGSOEKII-VSYUYLJXSA-N 478.928 5.377 50 10 JKGE CN(Cc1c(Br)cccc1Br)c1cncc(F)c1CBr 2366160039 FSYDPMXQAVPSSQ-UHFFFAOYSA-N 466.974 5.277 50 10 JKGE CN(CC[C@H](Cl)c1cccs1)C(=O)c1scc(Br)c1Br 2366234835 BDCKVYJQQBNIEP-VIFPVBQESA-N 457.640 5.777 50 10 JKGE Brc1ccccc1[C@H](Br)c1cc2c(cc1Br)OCCC2 2369617193 YSUUWRXKOOHSCZ-INIZCTEOSA-N 460.991 6.021 50 10 JKGE Clc1ccc(I)cc1CN1CCC[C@@]2(CBr)CCC[C@H]12 2380508368 GJEQDHVPUWTYTG-JKSUJKDBSA-N 468.604 5.474 50 10 JKGE N#C/C(C(=O)Nc1cccc(Cl)c1)=C1\S[C@@H](Cc2ccc(F)cc2)C(=O)N1c1ccccc1 13562898 ADQZLMNLUYGBHE-SCIJIFGBSA-N 477.948 5.544 50 10 JKGE Br[C@@H]1CCCC[C@H]1[n+]1c(-c2ccccc2)cc(-c2ccccc2)cc1-c1ccccc1 15770121 AJFJBOTYRURHMT-KAYWLYCHSA-N 469.446 7.854 50 10 JKGE C/C(=N\NC(=O)[C@H]1C[C@H]1c1ccc(C(C)(C)C)cc1)c1cccc(NC(=O)c2ccccc2F)c1 20157922 FWPPNHQXHLKRAG-WOYYFDSJSA-N 471.576 6.019 50 10 JKGE Cc1cccc(CS/C(Nc2cccc(Cl)c2)=C(\C#N)S(=O)(=O)c2ccccc2)c1 20325653 FRNQXESSQOFXPZ-GHVJWSGMSA-N 455.004 6.160 50 10 JKGE N#C/C(=C\c1cn(-c2ccccc2)nc1-c1ccc2c(c1)CCC2)S(=O)(=O)c1ccccc1 33919671 IHFQDAOCCZNPSR-YZSQISJMSA-N 451.551 5.366 50 10 JKGE Cc1cc([N+](=O)[O-])ccc1-c1ccc(/C=C(/C#N)C(=O)Nc2ccc([N+](=O)[O-])cc2Cl)o1 33930168 NRQGBFQPHZPKPP-LCYFTJDESA-N 452.810 5.271 50 10 JKGE O=C(CCCCCCCCC(=O)N/N=C/C=C/c1ccccc1)N/N=C/C=C/c1ccccc1 33958291 IBOICUQGFBVZEM-SFYBWLBKSA-N 458.606 5.738 50 10 JKGE COc1ccc(/C(C#N)=C\c2cn(-c3ccccc3)nc2-c2ccc(C3CCCCC3)cc2)cc1OC 34377792 HISXCSLIGRMNHN-DIBXZPPDSA-N 489.619 7.668 50 10 JKGE N#C/C(=C/c1ccc(Oc2ccccc2)cc1)C(=O)Nc1cccc(I)c1 34982931 IOQYIJBBSZIJAG-LGMDPLHJSA-N 466.278 5.629 50 10 JKGE N#C/C(=C/c1cc(Cl)cc(Cl)c1OCCOc1ccc(Cl)cc1)C(=O)NCc1ccco1 35177218 WHIUPCAJWMXUIW-YBEGLDIGSA-N 491.758 5.921 50 10 JKGE CSc1ccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4ccc(C(C)(C)C)cc4)ccc32)cc1 38682049 SFKTYPKTBMDGEE-VWLOTQADSA-N 470.594 6.143 50 10 JKGE CCCCC1CCC(C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@@H]3c2ccc(OCC)cc2)CC1 38701415 UJIQRRBKLMFJIU-IOAASBHNSA-N 474.601 6.205 50 10 JKGE Cc1c(C(=O)N(C)c2ccccc2)oc2c1/C(=N/NC(=O)c1cccc3ccccc13)CCC2 40813583 ZJVCXEBJHKJABC-BYNJWEBRSA-N 451.526 5.488 50 10 JKGE COc1cc(/C=C(\C#N)c2ccccc2)ccc1OC(=O)COc1ccc(C)cc1Br 40851113 YOZXTLRZXVMCOU-DEDYPNTBSA-N 478.342 5.815 50 10 JKGE COc1cc(/C=N/NC(=O)COc2cccc(C(C)C)c2)ccc1OCc1ccc(Cl)cc1 40888525 BXELAKLTAGFCAF-RWPZCVJISA-N 466.965 5.580 50 10 JKGE CCOc1ccc(/C=N/NC(=O)COc2ccc(C(C)(C)c3ccccc3)cc2)cc1OCC 40911407 SCZYADPUUJMWGY-VUTHCHCSSA-N 460.574 5.339 50 10 JKGE O=C(N/N=C1\C(=O)N(Cc2cccc3ccccc23)c2ccccc21)c1cccc2ccccc12 59147497 IWKZHUCMZATYCD-PNOGMODKSA-N 455.517 5.674 50 10 JKGE COc1cc(/C=C(/C#N)C(=O)Nc2ccc(C)cc2)cc(Cl)c1OCc1ccccc1C#N 59335354 UAWJIEUFNONYEQ-NHDPSOOVSA-N 457.917 5.653 50 10 JKGE CC(=O)[C@H](Br)[C@@H](C)c1c(Br)cc(Br)cc1Br 84398445 NNJGNZCWQCGPMD-ULHQUTTKSA-N 477.816 5.430 50 10 JKGE O=C(N/N=C/c1cccc(Oc2ccccc2)c1)c1cc(Br)cc(Br)c1O 96095890 ORJNPHYKZBMUQI-FSJBWODESA-N 490.151 5.473 50 10 JKGE COc1ccc(CN(C(=O)CCl)[C@H](C(=O)NC2CCCCCC2)c2ccc(Cl)cc2)cc1 97914897 WQLTUUXUQZULKO-DEOSSOPVSA-N 477.432 5.496 50 10 JKGE CC[C@]1(P(c2ccccc2)c2ccccc2)CCCC[C@@H]1P(c1ccccc1)c1ccccc1 100251066 NTBORSGWCCAHMY-ACHIHNKUSA-N 480.572 7.344 50 10 JKGE CCCN1C(=O)C(C#N)=C(C)/C(=C\c2cn(-c3ccccc3)nc2-c2ccc3ccccc3c2)C1=O 101332728 WTHHTBIULXPDHD-YZSQISJMSA-N 472.548 5.695 50 10 JKGE COc1cc(/C=C2/C(=O)N(C3CCCCC3)C(=O)C(C#N)=C2C)ccc1OCc1ccc(F)cc1 101339123 SSDOQVUFVHPJQD-OEAKJJBVSA-N 474.532 5.338 50 10 JKGE Cc1ccc(NC(=O)/C(C#N)=C2/S[C@H](Cc3ccc(C)c(Cl)c3)C(=O)N2c2ccccc2)cc1 102666430 ANEVWJGZELZNRA-VECHRTTRSA-N 488.012 6.022 50 10 JKGE Fc1cc(Cl)ccc1CC(CBr)(CBr)c1cccc(Cl)c1 164854563 OZTQNMHZBSUPNB-UHFFFAOYSA-N 454.992 6.403 50 10 JKGE CCCCOc1ccc(/C=C2\C(=O)N(Cc3ccc(C)cc3)C(=O)C(C#N)=C2C)cc1OCC 214381709 SHFFILKPWMXMNG-HAHDFKILSA-N 458.558 5.365 50 10 JKGE Cc1cc([C@@H](Br)c2cc(Br)c(Cl)s2)sc1Br 227846958 PYGZGQKWXSHHRF-MRVPVSSYSA-N 465.457 6.781 50 10 JKGE Cc1cc([C@H](Br)c2cccc(Br)c2Cl)sc1Br 228453833 YFRDDCLELMEOSE-SNVBAGLBSA-N 459.428 6.719 50 10 JKGE O=C(N[C@@H]1CCCCC[C@@H]1Br)c1cc(Br)sc1Br 232457224 IZTOJHOFCAISIQ-DTWKUNHWSA-N 460.029 5.099 50 10 JKGE CCOc1ccc([C@@H](Br)c2cc(Cl)ccc2I)cc1 233818843 YQUUQRBIEXOLDP-OAHLLOKOSA-N 451.529 5.828 50 10 JKGE Cc1cc(Cl)c([C@@H](Br)c2ccc(Br)cc2Br)cc1C 235839458 GHFYCXQGLFFOQQ-HNNXBMFYSA-N 467.426 6.966 50 10 JKGE Cc1cccc([C@@H](Br)c2cc(Br)cc3c2OCC3)c1Br 235993711 ZWEZWUNHVKHKIS-OAHLLOKOSA-N 460.991 5.939 50 10 JKGE CC(=Nc1cc2c(cc1[N+](=O)[O-])OCO2)SSC(C)=Nc1cc2c(cc1[N+](=O)[O-])OCO2 254310125 RKIZAAKZDWSTNG-UHFFFAOYSA-N 478.464 5.142 50 10 JKGE CC(=NNC(=O)c1ccc(COc2cc(C)ccc2C(C)C)cc1)c1ccc2c(c1)OCCCO2 254398086 JYJRGAZIUDJCPV-UHFFFAOYSA-N 472.585 6.013 50 10 JKGE C[C@@H]1CC[C@H](O[C@]2(CI)CCCN(C(=O)OC(C)(C)C)C2)C[C@H]1C 303741330 KEBQBOYKKWWQDE-JEWRLFTDSA-N 451.389 5.032 50 10 JKGE FC(F)(F)c1csc([C@H](Br)Cc2ccc(Br)cc2)c1Br 380092382 DPEXFNPMEANJHZ-SNVBAGLBSA-N 492.980 6.971 50 10 JKGE CC(C)(C)[Si](C)(C)OCc1ccccc1[C@H]1CCCN(S(=O)(=O)c2ccccc2)CC1 616601649 SFRBNCFVOALUOY-NRFANRHFSA-N 459.728 6.167 50 10 JKGE CN(C(=O)OC(C)(C)C)c1ccccc1[C@@H]1CN(CCO[Si](C)(C)C(C)(C)C)CCO1 616648685 RQEWVOWIHRMNIT-NRFANRHFSA-N 450.696 5.453 50 10 JKGE COCc1cc(Br)c([C@H](Br)c2cc(C)cc(Br)c2)s1 688138861 OMMJTSLWOSLCFG-CYBMUJFWSA-N 469.036 6.212 50 10 JKGE Fc1cc(Br)ccc1C[C@H](Cl)c1cc(Br)ccc1Br 692785017 VBPCHMDIWVIRIE-ZDUSSCGKSA-N 471.389 6.636 50 10 JKGE CCn1cc([C@H](Cl)c2scc(C(F)(F)F)c2Br)nc1Br 698389093 FQRVQIZYRDGDTR-QMMMGPOBSA-N 452.521 5.837 50 10 JKGE CN(C)c1nc(COc2c(Br)cc(CBr)cc2Br)cs1 699203941 HVSBKNPFKBOUJO-UHFFFAOYSA-N 485.039 5.208 50 10 JKGE CC(C)(C)[C@H]1C[C@@H]1CO[C@](C)(CI)c1ccccc1Br 703464475 RGHNUYLJVTWVME-HACGYAERSA-N 451.186 5.798 50 10 JKGE BrCC(CBr)(CC12CC(CO1)C2)c1cccc(Br)c1 716060062 FZFYQYBMJLNUFQ-UHFFFAOYSA-N 453.012 5.046 50 10 JKGE C[C@H]1Cc2cc(Br)cc([C@@H](Br)c3ccccc3Br)c2O1 720055498 XOIDWJRRILICGR-VFZGTOFNSA-N 460.991 6.019 50 10 JKGE C[C@@H]1Cc2cc(Br)cc([C@@H](Cl)c3ccccc3I)c2O1 720123283 HMGMUFBNYUDLKI-PSLIRLAXSA-N 463.540 5.705 50 10 JKGE COc1ccc(NC(=O)/C(C#N)=C\c2cc(Br)ccc2OCc2ccccc2F)cc1 725430849 ALXVSAKUUOYQOF-PDGQHHTCSA-N 481.321 5.721 50 10 JKGE CCOc1cc(C=NNC(=O)COc2ccc(Cl)cc2Cl)ccc1OCc1ccccc1 1083925374 BRAHAJUXHWDGJL-UHFFFAOYSA-N 473.356 5.500 50 10 JKGE COC(=O)c1ccc(-c2ccc(C=NNC(=O)c3cc4cc(Br)ccc4o3)o2)cc1 1083931660 FYTLZBQYCHHAGC-UHFFFAOYSA-N 467.275 5.006 50 10 JKGE O=C(Nc1ccccc1C(=O)NN=Cc1ccc(Br)cc1)c1ccccc1Cl 1084009788 SCLPTEFSOFHOHS-UHFFFAOYSA-N 456.727 5.119 50 10 JKGE O=C(NN=C(/C=C\c1ccccc1)/C=C\c1ccccc1)C(O)(c1ccccc1)c1ccccc1 1084451574 OZKHMFBSDDNFGV-SXAUZNKPSA-N 458.561 5.822 50 10 JKGE Cc1c(C(=O)N(Cc2ccccc2)Cc2ccccc2)oc2c1C(=NNC(=O)c1ccccc1)CCC2 1772744857 LOWVBNHWAIYPFW-UHFFFAOYSA-N 491.591 5.901 50 10 JKGE Cc1ccc(C(=O)NNC(=O)c2oc3c(c2C)C(=NNc2cccc(C(F)(F)F)c2)CCC3)cc1 1772750715 IGJVZERAJFWZDY-UHFFFAOYSA-N 484.478 5.143 50 10 JKGE CCCc1nn(Cc2ccc(Cl)cc2)c2c1[C@@H](c1cccc3ccccc13)C(C#N)=C(N)O2 1865682064 DXPVTZHRSMRJEU-DEOSSOPVSA-N 454.961 5.909 50 10 JKGE CC(C)(C)c1ccc([C@@H]2C(C#N)=C(N)Oc3c2c(C(F)(F)F)nn3Cc2ccc(F)cc2)cc1 1865682101 GDCRMWQTQQSWTG-LJQANCHMSA-N 470.470 5.605 50 10 JKGE COc1ccc(-c2nn(-c3ccccc3Cl)c3c2[C@@H](c2ccc(O)cc2)C(C#N)=C(N)O3)cc1 1865684643 USGGUWAKXRHVFO-QFIPXVFZSA-N 470.916 5.125 50 10 JKGE N#CC1=C(N)Oc2c(c(-c3ccccc3)nn2Cc2ccc(Cl)cc2)[C@H]1c1ccccc1Cl 1865686539 XKISCLCYSBYLBP-QFIPXVFZSA-N 473.363 6.123 50 10 JKGE COc1ccc(-c2nn(Cc3cccc(Cl)c3)c3c2[C@@H](c2cccc(F)c2)C(C#N)=C(N)O3)cc1 1865711185 RSWUZIHQAVGZMT-QHCPKHFHSA-N 486.934 5.618 50 10 JKGE CCCc1nn(-c2cccc3ccccc23)c2c1[C@H](c1ccc([N+](=O)[O-])cc1)C(C#N)=C(N)O2 1865713248 UUOJURNZIWLIOB-HSZRJFAPSA-N 451.486 5.104 50 10 JKGE CCCc1nn(Cc2ccc(Cl)c(Cl)c2)c2c1[C@@H](c1ccc(OC)cc1)C(C#N)=C(N)O2 1865714480 LQUUTELCBZQZGN-NRFANRHFSA-N 469.372 5.417 50 10 JKGE COc1cccc(/C=C(\C#N)c2ccc(C(=O)OC(C)C)o2)c1OCc1cccc(Cl)c1 1872728515 GRZLEAMJTJPISS-CPNJWEJPSA-N 451.906 6.150 50 10 JKGE N#C/C(=C(O)\C=C\c1ccc([N+](=O)[O-])cc1)c1nc(-c2ccc(Br)cc2)cs1 1872746513 LKURVTAOFIANSH-RGXXWCCYSA-N 454.305 5.987 50 10 JKGE Cc1cc(-c2csc(/C(C#N)=C(\O)[C@H](CC(C)C)N3C(=O)c4ccccc4C3=O)n2)ccc1F 1872749626 AINSWLDAPKYTMG-PJJVEECESA-N 475.545 5.761 50 10 JKGE CC(C)(C)c1ccc(-c2csc(/C(C#N)=C(\O)c3ccc4c(c3)C(=O)N(C(C)(C)C)C4=O)n2)cc1 1872751022 QEHKBWRTRITSLK-LNVKXUELSA-N 485.609 6.452 50 10 JKGE COc1ccc(C(C)(C)C)cc1-c1csc(/C(C#N)=C(\O)c2cc([N+](=O)[O-])c(C)c([N+](=O)[O-])c2)n1 1872751635 QMSDWSWEGPWOAI-XLNRJJMWSA-N 494.529 6.191 50 10 JKGE COc1cc(C)c(-c2csc(/C(C#N)=C(\O)[C@H]3CC(=O)N([C@H](C)c4ccccc4)C3)n2)cc1C 1872758315 UXLIGRFEVZQHJD-HKTKLAJTSA-N 473.598 5.838 50 10 JKGE COc1ccc(OC)c(-c2csc(/C(C#N)=C/c3ccc(OCc4ccccc4)c(OC)c3)n2)c1 1872791719 POYHTAXOGWIOFD-FYJGNVAPSA-N 484.577 6.479 50 10 JKGE Cc1ccc(C(C)(C)C)cc1-c1csc(/C(C#N)=C/c2cc3c(cc2[N+](=O)[O-])OCCO3)n1 1872794185 NUYWNNVKRJAKOI-RQZCQDPDSA-N 461.543 6.160 50 10 JKGE CCc1nn(C)c([C@@H](Br)c2c(Cl)sc(Cl)c2Cl)c1Br 1877188415 PVXFKECFVCPRMX-ZETCQYMHSA-N 467.441 6.251 50 10 JKGE Fc1cc(C[C@@H](Br)c2cccc(Br)c2)c(F)cc1Br 1894896504 YVONPMRQGCZYOQ-LLVKDONJSA-N 454.934 6.169 50 10 JKGE Cc1c(C)c(C[C@@H](Br)CN2C(=O)c3ccccc3C2=O)c(C)c(C)c1Br 1903998923 OFHSMSDASTWHKE-OAHLLOKOSA-N 479.212 5.285 50 10 JKGE O=C(c1csc(Br)c1Br)N1CC2(CCCC2)C[C@H]1CBr 1912768365 JFVZABNQAMDSAB-VIFPVBQESA-N 486.067 5.443 50 10 JKGE Cc1nsc(Br)c1[C@H](Br)c1cc(Br)c2c(c1)C[C@@H](C)O2 1912941748 INAZLWXFBBZWQA-SREIQFSDSA-N 482.035 5.784 50 10 JKGE CC(C)[C@@H](CBr)N(Cc1ccccc1)C(=O)c1ccc2cc(Br)ccc2c1 1915259066 HBZGPAJJCOFGDV-JOCHJYFZSA-N 489.251 6.664 50 10 JKGE Cc1c(Br)sc([C@@H](Cl)c2scc(Cl)c2Cl)c1Br 1922921520 RJUOBDQFGXRDEM-SSDOTTSWSA-N 455.451 7.278 50 10 JKGE Cc1ccc(C)c(C[C@@H](Br)c2c(Br)sc(Br)c2Cl)c1 1923067273 ALONIFFAPSVCPC-SNVBAGLBSA-N 487.482 7.222 50 10 JKGE CC(C)(CC(F)(F)F)[C@@H](Br)c1c(Br)sc(Br)c1Cl 1923068506 SKCRUNGDVQYFGL-LURJTMIESA-N 493.408 7.341 50 10 JKGE CCCCCCCC[C@@H](Cl)c1c(Br)sc(Br)c1Br 1924591629 SPGCOBQELMUYEQ-SECBINFHSA-N 481.519 8.066 50 10 JKGE Cl[C@H](C[C@@H]1CC[C@H]2C[C@@H]21)c1c(Br)sc(Br)c1Br 1924613122 GLHYIPXXFRQENF-DKXJUACHSA-N 463.460 6.752 50 10 JKGE Clc1cc([C@H](Br)c2csnc2Br)c(Cl)c(Cl)c1Cl 1925264165 RYVVYYCQASLKSJ-LURJTMIESA-N 470.828 7.004 50 10 JKGE FC1(F)[C@H]2C[C@@H]([C@@H](Br)c3c(Cl)sc(Br)c3Cl)CC[C@H]21 1925547756 WJABYZUHEUMXPP-SKHQTKALSA-N 454.989 6.935 50 10 JKGE O=C(O)C[C@@H](CCCC[C@H]1CCSS1)NC(=O)OCC1c2ccccc2-c2ccccc21 1951369459 VEINJLDSHFRMBT-MSOLQXFVSA-N 471.644 6.083 50 10 JKGE C[C@H]1[C@@H](C)[C@@H]1[C@H](Br)c1c(Br)sc(Br)c1Br 1959037572 KRTUVOLRWKQCFV-OHKRPGQBSA-N 481.873 6.374 50 10 JKGE Brc1ccc([C@H](Br)c2cc(Br)sn2)c(Br)c1 1994134352 CAOOGGLNOKVCJG-JTQLQIEISA-N 490.840 5.915 50 10 JKGE C[C@H](N(Cc1ccccc1)c1cc(Br)cc(F)c1CBr)C(C)(C)C 2004047956 WZDVTWGLFYKORL-AWEZNQCLSA-N 457.225 6.924 50 10 JKGE Cc1cc(Br)c(CBr)c(N2CC[C@H](COCc3ccccc3)C2)c1 2005453387 XMIXQRFYFYRYEA-KRWDZBQOSA-N 453.218 5.696 50 10 JKGE CS(=O)(=O)c1sccc1[C@@H](Br)c1cc(Br)c(Br)s1 2033136059 OUFGKVKCQAAJHX-MRVPVSSYSA-N 495.077 5.222 50 10 JKGE Cn1ncc2cc([C@H](Br)c3sc(Br)cc3Br)sc21 2054799842 IMNZZFMCRPREII-VIFPVBQESA-N 471.037 5.706 50 10 JKGE Cc1scnc1CC(CBr)(CBr)c1ccccc1Br 2096498670 FCCBGQQOWZWMNV-UHFFFAOYSA-N 468.052 5.484 50 10 JKGE ClCCc1nc2cc(Br)c(Cl)cc2n1C[C@@H]1CCN1Cc1ccccc1 2103621009 AVTDIYXQVQCKIL-HNNXBMFYSA-N 453.211 5.508 50 10 JKGE Fc1cc(Br)cc(CC[C@H](Br)c2ccccc2Br)c1 2113444952 RIUAPNIUIZVVAI-HNNXBMFYSA-N 450.971 6.420 50 10 JKGE COc1cc(Cl)c([C@@H](Cl)c2ccccc2I)cc1Br 2137662745 PBHBNLIQNUBMAC-AWEZNQCLSA-N 471.947 6.044 50 10 JKGE COc1cccc(F)c1[C@@H](Br)c1ccc(Br)cc1Br 2138849224 CYIQVQBCBRFXIY-AWEZNQCLSA-N 452.943 5.844 50 10 JKGE Cc1c(Br)ccc([C@H](Br)[C@H]2C[C@H]2C2CCCC2)c1Br 2138852219 RLJOEEQQLHUZRP-XEZPLFJOSA-N 451.040 6.782 50 10 JKGE BrCCC[C@H]1CCCCN1Cc1c(Br)cccc1Br 2141712877 BVZJAFFFJIXITQ-GFCCVEGCSA-N 454.044 5.741 50 10 JKGE COc1cc(Br)c(C)cc1[C@H](Br)c1ccc(Br)cc1Cl 2145955134 FZVBTMRQUSUQGX-OAHLLOKOSA-N 483.425 6.666 50 10 JKGE ClCc1cc(Cl)cc(Cl)c1OCc1cccc(Br)c1Br 2148753433 WWTHWAIVZQAUHH-UHFFFAOYSA-N 459.392 6.836 50 10 JKGE CCCOc1ccc([C@@H](Br)c2cc(Br)sc2C)cc1Br 2152047077 CWVRQUVGIJCGRC-OAHLLOKOSA-N 483.063 6.855 50 10 JKGE CN(Cc1ccccc1)[C@@H](Cn1c(CCl)nc2cc(Cl)c(Br)cc21)C1CC1 2169016256 XZOCDBMZWHXEOT-FQEVSTJZSA-N 467.238 6.102 50 10 JKGE CN(c1cc(CBr)sc1[N+](=O)[O-])[C@@H]1C[C@@H]2C[C@H](OCc3ccccc3)C[C@@H]21 2190557182 UMJUVSRYAITQOC-UOVPBQLFSA-N 451.386 5.371 50 10 JKGE C[C@]12CCO[C@](COc3c(Br)cc(CBr)cc3Br)(C1)C2 2193672406 HCWZXOUCTARBRW-GASCZTMLSA-N 469.011 5.445 50 10 JKGE Cc1cc(Br)c(C)c([C@H](Br)C2CC3(C2)CC3(F)F)c1Br 2201068126 PDTMXFYYAHYJGA-JRZRUSQNSA-N 472.993 6.700 50 10 JKGE Brc1cccc([C@@H](Br)Cc2ccc(Br)c3nsnc23)c1 2202029696 SAOFRDZHIXEGMB-LBPRGKRZSA-N 477.019 5.895 50 10 JKGE Cc1c(Br)sc([C@@H](Br)c2cccc(OCc3ccccc3)c2)c1C 2213626087 ARKPJRBMSNHQND-SFHVURJKSA-N 466.238 7.191 50 10 JKGE Cc1sc([C@@H](Cl)c2sc(Br)c(C)c2Br)c(C)c1Br 2218966495 XXMMWCQTVCPHPX-SECBINFHSA-N 493.511 7.351 50 10 JKGE Cc1ccc([C@@H](Cl)c2cc(Br)c(Cl)cc2C)cc1I 2224624358 AIUQVXLGHHEJFJ-OAHLLOKOSA-N 469.975 6.652 50 10 JKGE Cc1cc([C@H](Br)c2ccc3c(c2Br)CCO3)oc1Br 2229733531 JVUDANYYVKAMMN-CYBMUJFWSA-N 450.952 5.532 50 10 JKGE Brc1scc([C@H](Br)c2ccc([C@@H]3CCOC3)s2)c1Br 2231740157 BIDRYIRIIIOXRM-HQJQHLMTSA-N 487.076 6.323 50 10 JKGE Clc1cc(Cl)cc(C[C@H](Cl)c2ccc(Br)cc2I)c1 2232134660 XDAPLXPMGABDHR-ZDUSSCGKSA-N 490.393 6.883 50 10 JKGE Clc1cc(Br)c([C@@H](Cl)c2cccc(Br)c2Cl)c(Cl)c1Cl 2232510578 HVXWHVBFZBMEIU-NSHDSACASA-N 498.256 8.153 50 10 JKGE Cc1cc(Br)c([C@@H](Br)c2cccc(Br)c2F)c(C)c1Cl 2232525783 FBQCGOSODMIPGI-ZDUSSCGKSA-N 485.416 7.105 50 10 JKGE CN(Cc1ccccc1)C1(Cn2c(CCl)nc3c(F)cc(Br)cc32)CCC1 2232931180 YUENHASPHQPUBD-UHFFFAOYSA-N 450.783 5.731 50 10 JKGE O=C(c1cc(Br)cc(Br)c1)N1CCC[C@@H](CCCBr)C1 2234182754 UKKPDQFQGZTSDD-LLVKDONJSA-N 468.027 5.239 50 10 JKGE Cc1cc(Br)c([C@@H](Cl)c2ccc(Br)cc2F)c(C)c1Br 2235603761 KPDKNUDLUAGWIC-HNNXBMFYSA-N 485.416 7.058 50 10 JKGE Cc1cc(Br)c([C@H](Br)C2C[C@H]3CC[C@H](C2)C3)c(C)c1Br 2235616004 XHCSGBXEYVBLNA-NVGCLXPQSA-N 465.067 7.091 50 10 JKGE ClCc1nc2cc(Cl)ccc2n1-c1ccc(Br)cc1I 2240289071 KJTPNTRRIVYLAS-UHFFFAOYSA-N 481.946 5.785 50 10 JKGE C[C@H](CBr)N(Cc1ccccc1)C(=O)c1cc(F)c(Br)cc1Cl 2243477202 DTGOJPNOMXLUOB-LLVKDONJSA-N 463.572 5.667 50 10 JKGE Brc1cc2sc([C@H](Br)c3nscc3Br)cc2s1 2252911357 RLEORWPEJWRYCU-VIFPVBQESA-N 474.062 6.429 50 10 JKGE Cc1cc(Cl)c(Cl)cc1[C@@H](Br)c1cnn(C)c1I 2253423104 XLJVBKJMKJJRPK-LLVKDONJSA-N 459.940 5.124 50 10 JKGE Clc1ccc(C[C@@H](Br)c2ccc(Cl)c(I)c2)nc1 2256337725 FLWACSSYYPYYCM-LLVKDONJSA-N 456.936 5.672 50 10 JKGE COc1ccc([C@H](Cl)c2ccc(Cl)c(Br)c2)cc1I 2269545606 MKMXZCJZFYRYKV-CQSZACIVSA-N 471.947 6.044 50 10 JKGE Brc1ccc([C@H](Br)c2ccc(C3CCC3)s2)c(Br)c1 2271972810 LOGLMDMJTDKZQQ-HNNXBMFYSA-N 465.048 7.025 50 10 JKGE COc1cc(Cl)c(Cl)cc1[C@@H](Br)c1sc(C)c(Br)c1C 2279049261 ZVTSFPJGDFQGOY-CYBMUJFWSA-N 459.030 6.927 50 10 JKGE Cc1cc(Br)c([C@@H](Br)C2(C)CC(C(F)(F)F)C2)cc1Br 2279189071 LTENBCVMAPEZMU-ATVVMRJVSA-N 478.972 6.935 50 10 JKGE COc1cc([C@H](Cl)c2scc(Br)c2Cl)c(OC)cc1Br 2279291819 HSNONNIOGMRFJQ-NSHDSACASA-N 461.002 6.272 50 10 JKGE CCc1ncc2nc([C@H](C)Cl)n(CC3(N(Cc4ccccc4)Cc4ccccc4)COC3)c2n1 2286685732 QXVWKFITJWMDEH-FQEVSTJZSA-N 476.024 5.160 50 10 JKGE N#CC(C(=O)NCc1ccccc1)=C1S[C@H](Cc2ccccc2Cl)C(=O)N1c1ccccc1 2296506901 KMJGMIXMDRBGIR-HSZRJFAPSA-N 473.985 5.083 50 10 JKGE COc1ccc(Oc2ccc(C=C(C#N)C(=O)Nc3c(C)cc(C)cc3C)cc2[N+](=O)[O-])cc1 2297382047 RVZRHVROVLBSCX-UHFFFAOYSA-N 457.486 5.867 50 10 JKGE COc1cc(C=C(C#N)c2ccc([N+](=O)[O-])cc2)cc(Cl)c1OCc1cccc2ccccc12 2313541171 YORPGINXPXCZNL-UHFFFAOYSA-N 470.912 7.053 50 10 JKGE Cc1ccc(Cl)cc1NC(=O)C(C#N)=Cc1cc(Br)ccc1OCc1ccccc1 2313670763 UTTGYLSBIZIOPR-UHFFFAOYSA-N 481.777 6.536 50 10 JKGE Fc1cc(Cl)c(Br)c(Cl)c1[C@H](Cl)c1ccc(Br)s1 2313748495 JINVSKNEYOSPLK-SNVBAGLBSA-N 453.385 7.047 50 10 JKGE Brc1cc(OCc2ccccc2)ccc1[C@H](Br)CC12CCC(CC1)C2 2314439168 FMZFHKZJQWACGI-VUQFPLBCSA-N 464.241 7.435 50 10 JKGE FC1(F)CC12CC([C@@H](Br)c1cc(Br)ccc1OCc1ccccc1)C2 2314455343 OCSXUJGKRDRZKY-PJOPYLDSSA-N 472.167 6.900 50 10 JKGE Brc1ccc(OCc2ccccc2)c([C@H](Br)[C@H]2CC23CCCCC3)c1 2314499227 AHGSHYLSDLFVBF-CTNGQTDRSA-N 464.241 7.435 50 10 JKGE COc1ccccc1NC(=O)C(C#N)=C1S[C@H](Cc2ccc(C)cc2)C(=O)N1c1ccc(C)c(C)c1 2314591846 GCJVPHQMAPLSBX-AREMUKBSSA-N 497.620 5.685 50 10 JKGE CCOc1cc(C=C2C(=O)N(CC(C)C)C(=O)C(C#N)=C2C)ccc1OCc1ccccc1Cl 2314611110 QTQJVJUYSSZHET-UHFFFAOYSA-N 478.976 5.566 50 10 JKGE CCOc1cc(C=C2C(=O)N(C3CCCC3)C(=O)C(C#N)=C2C)ccc1OCc1ccccc1 2314616481 BUWCMXFPAPYBMF-UHFFFAOYSA-N 456.542 5.199 50 10 JKGE Fc1c(Br)cc(Cl)c([C@H](Br)C[C@@H]2CCCO2)c1Br 2315449949 WPWOONHHUFXNCB-NKWVEPMBSA-N 465.382 6.009 50 10 JKGE CCCc1ccc([C@H](Br)c2sc(Cl)cc2I)cc1 2316601311 RASQLNONDWJDPE-ZDUSSCGKSA-N 455.586 6.443 50 10 JKGE BrCc1ccc(COc2cc(Br)cc(I)c2)cc1 2316719774 ILHYSGNDESUJOC-UHFFFAOYSA-N 481.953 5.528 50 10 JKGE CC(C)N(C)C[C@H](Br)CCc1ccc(I)c(Br)c1 2325207226 AMXJZKGEEVCFMV-GFCCVEGCSA-N 489.033 5.090 50 10 JKGE CC[C@H]1CN(C[C@@H](CBr)CC(C)C)[C@H](CC)CN1C(=O)OCc1ccccc1 2328522376 HRWPTTHFYIMRMP-VSKRKVRLSA-N 453.465 5.555 50 10 JKGE CCCOc1ccc(-c2csc(C(C#N)=C(O)Cc3ccc(OCc4ccccc4)cc3)n2)cc1 2331315948 KAFYWUUVAZRKMD-UHFFFAOYSA-N 482.605 7.213 50 10 JKGE COc1ccc(C)cc1-c1csc(C(C#N)=C(O)c2ccc3c(c2)C(=O)N(C2CCCCC2)C3=O)n1 2331323042 XHPAXMHBSCGAOW-UHFFFAOYSA-N 499.592 6.006 50 10 JKGE N#CC(=C(O)C(=Cc1ccccc1)c1ccccc1)c1nc(-c2cccc3ccccc23)cs1 2331339186 NUAJSCKLBZMJNP-UHFFFAOYSA-N 456.570 7.997 50 10 JKGE COc1ccc(C(C)(C)C)cc1-c1csc(C(C#N)=C(O)CCc2nc3ccccc3[nH]c2=O)n1 2331350900 CKXOJJGDQQLIAQ-UHFFFAOYSA-N 486.597 5.778 50 10 JKGE COc1ccc(C(C)(C)C)cc1-c1csc(C(C#N)=C(O)c2cccc(Oc3ccccc3)c2)n1 2331351192 YEOKVAGMFLSCTR-UHFFFAOYSA-N 482.605 7.858 50 10 JKGE CCOc1ccc(OCC)c(-c2csc(C(C#N)=C(O)c3cccc(Br)c3)n2)c1 2331376168 LATODFOESCKIPH-UHFFFAOYSA-N 471.376 6.320 50 10 JKGE C=CCOc1ccccc1OCC(O)=C(C#N)c1nc(-c2ccc(OC)cc2OC)cs1 2331385491 IEMJEEZOUXAGIZ-UHFFFAOYSA-N 450.516 5.264 50 10 JKGE COc1c(Cl)cc(-c2csc(C(C#N)=C(O)Cc3ccc(Cl)cc3)n2)cc1Cl 2331396767 AYPCSPXTTUBCDM-UHFFFAOYSA-N 451.762 6.814 50 10 JKGE N#CC(=C(O)CCCOc1ccc(Cl)cc1Cl)c1nc(-c2ccc(Cl)s2)cs1 2331402281 JYEKNALRDDZYJY-UHFFFAOYSA-N 471.818 7.484 50 10 JKGE CCCCCOc1ccc(C=C(C#N)c2nc(-c3ccc(Br)cc3)cs2)cc1OC 2331429772 BBQRFQCGOVOUJG-UHFFFAOYSA-N 483.431 7.214 50 10 JKGE FC(F)(C1CCCCC1)[C@@H](Br)c1cc(Br)ccc1OCc1ccccc1 2336052576 BLZMFBRWYUPFGZ-FQEVSTJZSA-N 488.210 7.680 50 10 JKGE CC[C@@]1([C@@H](Br)c2c(Cl)cc(Br)c(F)c2Br)CCCO1 2337089744 DAUUZTXXOIZPRD-STQMWFEESA-N 479.409 6.399 50 10 JKGE Cc1cc(Br)c([C@@H](Cl)c2c(Br)ncn2C)c(C)c1Br 2337274930 ONIKGOVCYUJEEI-LLVKDONJSA-N 471.418 5.653 50 10 JKGE COc1c(Br)cc(C)c([C@H](Br)c2cscc2Cl)c1Br 2339656383 NFBQYWGIPHPBHW-LLVKDONJSA-N 489.454 6.728 50 10 JKGE Cc1cnc(OCc2ccc(I)c(Br)c2)c(CCl)c1 2350073678 SGCSWAFLUSENEC-UHFFFAOYSA-N 452.517 5.075 50 10 JKGE CC(C)(C)[C@@](C)(CBr)COCc1c(Br)cccc1Br 2352103286 FUMMXOSRVNFFMP-HNNXBMFYSA-N 457.044 6.176 50 10 JKGE FC1(F)[C@H]2C[C@](CBr)(Cc3cc(I)ccc3Cl)C[C@H]21 2352424016 NOFSGOHSJRXEDR-PJXYFTJBSA-N 461.515 5.544 50 10 JKGE Cc1cc(OCc2cc(I)ccc2Cl)ccc1CBr 2352425594 INCOBASTPDZPGI-UHFFFAOYSA-N 451.529 5.727 50 10 JKGE Clc1ccc(I)cc1C[C@@H]1C[C@@H]2CCCC[C@@H]2[C@H]1Br 2352427598 JQHOJFZOFAVIJI-ZAJUMQRFSA-N 453.589 6.077 50 10 JKGE O=C(c1cc(Br)c(Cl)s1)N1CC[C@@H](Br)C[C@@H]1C(F)(F)F 2361461183 RHGDGNWFUFOGOX-SVGQVSJJSA-N 455.521 5.094 50 10 JKGE Cc1cc(I)c(O[C@@H]2C[C@@H](Br)C23CCCCC3)cc1Cl 2361701659 GEKCDQVDVPFUQZ-HUUCEWRRSA-N 469.588 6.118 50 10 JKGE Fc1cc(CBr)c(N2CC[C@@H]3CCN(Cc4ccccc4)C[C@@H]3C2)cc1Cl 2362393707 FQOLBCZCQXTFDC-PKOBYXMFSA-N 451.811 5.722 50 10 JKGE CCCOc1ccc([C@@H](Br)c2csc(C)c2Br)cc1Br 2369587272 PAEYYIGFBMKOPD-OAHLLOKOSA-N 483.063 6.855 50 10 JKGE CC1(C)CCC(C)(C)[C@@H](Cc2ccc(I)c(Br)c2)[C@@H]1Cl 2377293831 ILWMIXYUXOHCIW-WFASDCNBSA-N 469.632 6.666 50 10 JKGE Cc1cccc(C[C@H]2S/C(=C(/C#N)C(=O)Nc3ccc(F)cc3)N(c3ccc(Cl)cc3)C2=O)c1 2410081 BPSCNQMYGTTWJJ-YMGIJWJESA-N 491.975 5.853 50 10 JKGE CCCOc1ccc(/C=C(\NC(=O)c2ccccc2)C(=O)N/N=C/c2ccc(Cl)cc2Cl)cc1 20072589 PMSCXYMBSZEWMS-FXQXRKMASA-N 496.394 5.703 50 10 JKGE N#C/C(=C/c1ccc(OC(=O)/C=C/c2ccc(OCc3ccccc3)cc2)cc1)c1ccccc1 31900218 XLEPGNDMNPDFEA-CSYGIDCESA-N 457.529 6.949 50 10 JKGE Cc1ccc(Sc2oc(/C=C(/C#N)C(=O)Nc3ccc(C)cc3C)cc2Br)cc1 33898131 IVUUIUCESNLCEU-BOPFTXTBSA-N 467.388 6.664 50 10 JKGE CCOc1ccccc1C(=O)Oc1ccc2c(c1)OC(N)=C(C#N)[C@@H]2c1ccc(C(C)C)cc1 38649654 XFAXHICKACRGEU-AREMUKBSSA-N 454.526 5.646 50 10 JKGE C=CCOc1cccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4ccc(Cl)cc4)ccc32)c1 38684513 VJWVIBMXXHWINR-XMMPIXPASA-N 458.901 5.342 50 10 JKGE CCCOc1ccc(/C=N\NC(=O)Nc2sc3c(c2C(=O)OCC)CC[C@@H](C)C3)cc1OC 40851508 FMPTYHSJLXKYOW-MLGZCZAZSA-N 473.595 5.003 50 10 JKGE Cc1ccc(COc2ccc(/C=N\NC(=O)CC[C@@H](O)c3ccccc3)cc2Br)cc1 58889039 GKEZKERUPYDMQG-MAAPNWIXSA-N 481.390 5.300 50 10 JKGE C=CCc1cc(/C=N\NC(=O)CC[C@@H](O)c2ccccc2)ccc1OCc1cccc2ccccc12 58891854 GJWAKXLCHVUUPP-XKLDMDDMSA-N 478.592 6.111 50 10 JKGE CCOc1ccc([C@@H](O)CCC(=O)N/N=C\c2cc(C)n(-c3cccc(Br)c3)c2C)cc1 58894377 IQWAFLJTNKMFLF-GJVLPJBHSA-N 498.421 5.219 50 10 JKGE O=C(N/N=C1/C(=O)N(Cc2c(Cl)cccc2Cl)c2ccccc21)c1cc(F)c(F)cc1Cl 59154822 GBFMLNMAMNQEEM-VFCFBJKWSA-N 494.712 5.606 50 10 JKGE Cc1cccc(C(=O)Oc2ccccc2/C=N\NC(=O)c2ccc(NC(=O)c3ccccc3)cc2)c1 59500503 VOWSGMZWUASCGV-FSGOGVSDSA-N 477.520 5.230 50 10 JKGE BrC[C@H](Cc1cccc(Br)c1)Cc1ccc(Br)s1 97184723 SMMMBBDLDGIQPO-LLVKDONJSA-N 453.037 6.069 50 10 JKGE CC1=C(C#N)C(=O)N(CC(C)C)C(=O)/C1=C/c1cn(-c2ccccc2)nc1-c1ccc(Cl)cc1 101334671 KPEWGTBEXCRYEN-YDZHTSKRSA-N 470.960 5.441 50 10 JKGE Fc1ccc(C[C@H](Br)c2cc(Br)sc2Br)c(F)c1 123127673 CQWVKVMXLDMCOT-VIFPVBQESA-N 460.963 6.230 50 10 JKGE Brc1ccc(CO[C@H](CI)c2ccccc2Br)cc1 162534024 HLQPVJHQDODXQM-OAHLLOKOSA-N 495.980 5.905 50 10 JKGE Clc1cc(Br)ccc1C[C@@H](CBr)Cc1ccccc1Br 168952881 NXFSKDPNAPASPM-NSHDSACASA-N 481.453 6.661 50 10 JKGE CCOc1cc(/C=N\NC(=O)c2ccccc2O)ccc1OCc1ccc(Cl)c(Cl)c1 169886670 IJGUBWLULZESDB-ZMFRSBBQSA-N 459.329 5.441 50 10 JKGE CCCCCCOc1ccc(/C=C2\C(=O)N(CCCOC(C)C)C(=O)C(C#N)=C2C)cc1OC 214308397 RVZIQWIWIHRGFD-JWGURIENSA-N 468.594 5.062 50 10 JKGE Brc1cc(Br)cc([C@H](Br)c2ccc3c(c2)CCCC3)c1 232451481 VHFGNOUTUKVOGD-QGZVFWFLSA-N 459.019 6.575 50 10 JKGE Clc1cccc(C[C@@H](Br)c2ccc(Br)cc2Br)c1 236065402 QEMRSJWZKXEAQR-CYBMUJFWSA-N 453.399 6.544 50 10 JKGE FC(F)(F)c1csc([C@@H](Br)c2cc(Cl)cc(Cl)c2)c1Br 312354128 IYOHKIRGCWDGNE-VIFPVBQESA-N 468.947 7.321 50 10 JKGE C[C@H](Cl)c1nc2cc(I)ccc2n1-c1cccc(OCc2ccccc2)c1 313446489 BJTBHKKVDPJFJM-HNNXBMFYSA-N 488.756 6.509 50 10 JKGE C[C@H](Cl)c1nc2cc(F)c(Br)cc2n1C1CCN(Cc2ccccc2)CC1 379627105 DGTYFZCEDRLUMZ-AWEZNQCLSA-N 450.783 6.075 50 10 JKGE Cc1cc(Br)c([C@H](Cl)c2ccccc2OCc2ccccc2)cc1Br 381414288 ZHSAHAJTOIATLG-OAQYLSRUSA-N 480.627 7.427 50 10 JKGE O=C(OCc1ccccc1)N1C[C@H](c2cccc(Br)c2F)[C@@H](CBr)C1 382680229 BNXQZRGLYBWNFQ-HOCLYGCPSA-N 471.164 5.335 50 10 JKGE Fc1cc(Br)c([C@H](Br)c2ccccc2OCc2ccccc2)c(F)c1F 398516701 KIAWFFFLHXFXJG-GOSISDBHSA-N 486.125 6.930 50 10 JKGE Clc1ccc(I)c(C[C@@]2(CBr)CCO[C@@H]2C2CC2)c1 405539380 QUTXWDILCKSGEH-HUUCEWRRSA-N 455.561 5.067 50 10 JKGE CC(=O)O[C@H]1CC[C@@]2(C)C(=CC[C@H]3[C@@H]4CC[C@H]([C@H](C)CI)[C@@]4(C)CC[C@@H]32)C1 605694683 GCVGFBQQFKCPGT-BSVQJXIHSA-N 484.462 6.568 50 10 JKGE CC(C)(C)[Si](C)(C)OCc1cccc([C@H]2CCCCCN2S(=O)(=O)c2ccccc2)c1 616605071 GUNQAXNTSHZCIZ-XMMPIXPASA-N 459.728 6.514 50 10 JKGE CC(C)(C)OC(=O)NCCN1CCCOC[C@@H]1c1ccccc1CO[Si](C)(C)C(C)(C)C 616647275 XAEUZJFNRFJQHM-JOCHJYFZSA-N 464.723 5.497 50 10 JKGE COCc1csc([C@H](Br)c2cc(Br)sc2Br)c1 689982803 BUGAXDDAVKASIR-SNVBAGLBSA-N 461.038 5.965 50 10 JKGE COc1ccc(NC(=O)[C@@H](c2cccs2)N(C(=O)CCl)c2cccc(C(F)(F)F)c2)cc1 725237808 NEMSFMRVOCAALV-HXUWFJFHSA-N 482.911 5.727 50 10 JKGE Cc1cc(C=NNC(=O)[C@H](C)Sc2ccccc2)c(C)n1-c1cccc(Br)c1 725410051 JGTNGKDZHAZXKJ-KRWDZBQOSA-N 456.409 5.488 50 10 JKGE CCOc1cc(/C=C(/C#N)C(=O)Nc2cccc(Cl)c2C)ccc1OCc1ccc(C)cc1 1084320970 OSVMBSOYHFDXAI-HMAPJEAMSA-N 460.961 6.480 50 10 JKGE CCOc1cc(C=NNC(=O)c2ccc3ccccc3c2)ccc1OCc1ccc(Cl)cc1 1084505999 MAJLECAKJWSHEY-UHFFFAOYSA-N 458.945 6.235 50 10 JKGE Cc1ccc(S(=O)(=O)Oc2ccccc2C=NNC(=O)[C@@H](C)c2ccc(CC(C)C)cc2)cc1 1084650570 KFWSVJGZPSYHJQ-NRFANRHFSA-N 478.614 5.215 50 10 JKGE COc1ccccc1/C(C#N)=C/c1cccc(OC(=O)c2cc(C(F)(F)F)cc(C(F)(F)F)c2)c1 1615179600 HBLZGYDLXJKONC-RQZCQDPDSA-N 491.387 7.016 50 10 JKGE Cc1ccc(NC(=O)c2oc3c(c2C)C(=NNC(=O)Cc2ccc([N+](=O)[O-])cc2)CCC3)cc1Cl 1772748117 YMARGIPOBPNRIG-UHFFFAOYSA-N 494.935 5.110 50 10 JKGE CCCc1nn(-c2ccc(Cl)c(Cl)c2)c2c1[C@@H](c1cccc(OC)c1O)C(C#N)=C(N)O2 1865683798 IKXRFEDVKLRXCR-IBGZPJMESA-N 471.344 5.064 50 10 JKGE COc1ccc(-c2nn(-c3ccccc3Cl)c3c2[C@H](c2ccc(O)cc2)C(C#N)=C(N)O3)cc1 1865684642 USGGUWAKXRHVFO-JOCHJYFZSA-N 470.916 5.125 50 10 JKGE CCCCOc1ccc([C@H]2C(C#N)=C(N)Oc3c2c(CCC)nn3Cc2ccccc2)cc1OCC 1865686983 GRYLMAGCKAPQHR-SANMLTNESA-N 486.616 5.680 50 10 JKGE CCCCOc1ccc([C@H]2C(C#N)=C(N)Oc3c2c(-c2ccccc2)nn3CC)cc1OCC 1865687293 NVWRAUGOXOPPSF-QHCPKHFHSA-N 458.562 5.366 50 10 JKGE N#CC1=C(N)Oc2c(c(-c3ccccc3)nn2-c2ccc(Cl)cc2)[C@@H]1c1cc(Cl)ccc1O 1865689059 JBISSUKGCKGORT-OAQYLSRUSA-N 475.335 5.770 50 10 JKGE CCOc1cccc([C@@H]2C(C#N)=C(N)Oc3c2c(-c2ccccc2)nn3Cc2cccc(Cl)c2)c1 1865690067 HYIWKBOEEZEDTL-XMMPIXPASA-N 482.971 5.869 50 10 JKGE CCc1nn(Cc2cccc(Cl)c2)c2c1[C@H](c1ccc(OC(C)C)c(OC)c1)C(C#N)=C(N)O2 1865696576 IAFULNMUNGHXCN-HSZRJFAPSA-N 478.980 5.161 50 10 JKGE COc1ccc([C@@H]2C(C#N)=C(N)Oc3c2c(-c2ccccc2)nn3Cc2ccc(Cl)cc2)cc1 1865712802 ILEBBAALUNQOPA-HSZRJFAPSA-N 468.944 5.479 50 10 JKGE CCc1nn(-c2cccc(Cl)c2)c2c1[C@H](c1ccc(Br)cc1)C(C#N)=C(N)O2 1865714720 OITBAVUBGMRAIK-GOSISDBHSA-N 455.743 5.069 50 10 JKGE CCc1nn(-c2ccc(Cl)cc2)c2c1[C@@H](c1ccc(Br)cc1)C(C#N)=C(N)O2 1865715163 YHOICYNBEOYWBS-SFHVURJKSA-N 455.743 5.069 50 10 JKGE COCCc1nc(Nc2ccc(SC#N)cc2)cc(N2CCC[C@H]2c2nc3ccccc3s2)n1 1868253486 IZQBNXVEDVORCC-FQEVSTJZSA-N 488.642 5.933 50 10 JKGE N#CSc1ccc(Nc2cc(N3CCC[C@@H](Oc4ccccc4)C3)nc(-c3ccc(F)cc3)n2)cc1 1868456079 JEEYBGAFQMOEIA-XMMPIXPASA-N 497.599 6.647 50 10 JKGE COc1ccc(OC/C(O)=C(\C#N)c2nc(-c3ccc(OC)c(OC)c3)cs2)c(C(C)(C)C)c1 1872745323 HPXUQPPQDSHRKD-UZYVYHOESA-N 480.586 6.005 50 10 JKGE COc1c(C)cc(Cl)cc1-c1csc(/C(C#N)=C(\O)CCCOc2ccc(C(C)(C)C)cc2)n1 1872757001 LUUBRORMOBCOQE-GYHWCHFESA-N 497.060 7.730 50 10 JKGE COc1ccc(Cl)cc1-c1csc(/C(C#N)=C(\O)c2ccc3c(c2)C(=O)N(C(C)(C)C)C3=O)n1 1872758672 KUANPXMWUFZKKB-UZYVYHOESA-N 493.972 5.816 50 10 JKGE CCCOc1ccc(-c2csc(/C(C#N)=C(\O)COc3c(C)ccc(C)c3C)n2)cc1OCCC 1872818189 QNMPKRGWZFXWRS-GYHWCHFESA-N 492.641 7.185 50 10 JKGE O=C1c2ccccc2C(=O)N1C[C@H](Br)CCc1cccc(Br)c1Cl 1905439913 VMFQWASLPPQZHL-GFCCVEGCSA-N 471.576 5.095 50 10 JKGE CN(C[C@@H](Cl)COCc1ccccc1)C(=O)c1cc(C(F)(F)F)ccc1Br 1916368700 HOJCQHVUGIZHLC-OAHLLOKOSA-N 464.709 5.364 50 10 JKGE Cc1c(Br)sc([C@H](Br)[C@H]2[C@H]3CC[C@@H](C3)C2(C)C)c1Br 1922930541 SXWQGCZYGJHDNR-UXCLJVHYSA-N 471.096 7.090 50 10 JKGE CCC(C)(C)C[C@@H](Br)c1c(Br)sc(Br)c1Cl 1923040543 VIPLLPDXYQPLDV-ZCFIWIBFSA-N 453.465 7.189 50 10 JKGE Fc1cccc(Cl)c1[C@@H](Cl)c1c(Br)sc(Br)c1Cl 1923041154 ZBWJFKIZNCWROX-MRVPVSSYSA-N 453.385 7.047 50 10 JKGE Cc1cc([C@@H](Br)c2c(Cl)sc(Br)c2Cl)ccc1Br 1925589313 TVDCTAPRXHJGJB-SECBINFHSA-N 493.873 7.373 50 10 JKGE Cc1sc([C@@H](Cl)c2csc(Br)c2Br)c(C)c1Br 1945190530 OQRZHUBHZFYQBB-VIFPVBQESA-N 479.484 7.042 50 10 JKGE C=CCC(CBr)(CBr)Cc1c(Br)cccc1Br 1945327645 RSUMNKQIYZTUGA-UHFFFAOYSA-N 489.871 6.106 50 10 JKGE Cc1sc(Br)cc1[C@H](Br)c1sc(C)c(Br)c1C 1946648475 TYBHTIOIPRTATJ-NSHDSACASA-N 459.066 6.744 50 10 JKGE C[C@H]1C[C@H](C)CC[C@@H]1OC1(CI)CCN(C(=O)OC(C)(C)C)CC1 1947112794 PHOWOQLNDNVEPT-PMPSAXMXSA-N 451.389 5.032 50 10 JKGE CCc1cc(Br)c([C@@H](Br)c2cc(C)cc(Br)c2)s1 2029236944 ZDGSXGSZPHXMLX-ZDUSSCGKSA-N 453.037 6.628 50 10 JKGE N#CC(=Cc1cn(-c2ccccc2)nc1-c1ccc(C2CCCCC2)cc1)c1ccc(Cl)cc1Cl 2040744313 FYXYLIYWQXEVPX-UHFFFAOYSA-N 498.457 8.958 50 10 JKGE CCc1sc(Br)cc1[C@@H](Br)c1nn(C)c(Cl)c1Br 2048156135 OBWARHGQTRQBEQ-MRVPVSSYSA-N 477.447 5.707 50 10 JKGE Cc1sc(Br)c([C@@H](Cl)c2ccc(Br)cc2Br)c1C 2082873169 HXYXKELAUHOLET-LBPRGKRZSA-N 473.455 6.981 50 10 JKGE Fc1ccc([C@@H](Br)c2cc(Br)c(Cl)cc2F)cc1Br 2097833875 GWNYTPKBZMVWTN-CYBMUJFWSA-N 475.352 6.628 50 10 JKGE COc1ccc([C@@H](Cl)c2c(Br)sc(Br)c2Cl)c(Cl)c1 2109669304 HOMHGPXYKFGZGR-SECBINFHSA-N 465.421 6.917 50 10 JKGE Clc1c(Br)sc(Br)c1[C@H](Br)[C@@H]1C[C@H]1C1CCCCC1 2135274812 YQUOUIUAKHTDGH-IQJOONFLSA-N 491.514 7.579 50 10 JKGE COc1c(Cl)cc(Br)cc1[C@@H](Br)c1nc(C)sc1Br 2138239383 PZMFWRQIUUNTBT-SECBINFHSA-N 490.442 6.123 50 10 JKGE CCC(CC)([C@@H](Br)c1ccc(Br)cc1Br)C(F)(F)F 2138849365 JBIZLWDOAQQASF-NSHDSACASA-N 466.961 7.016 50 10 JKGE COCCOc1ccc([C@@H](Br)c2sncc2Br)cc1Br 2145178179 LMRUDABJRHDLGN-GFCCVEGCSA-N 486.023 5.178 50 10 JKGE CC(C)Oc1ccc([C@@H](Br)c2c(Br)cccc2Br)cc1 2150493871 NMVGHEFPOFHCNY-MRXNPFEDSA-N 463.007 6.483 50 10 JKGE Fc1ccc(C(F)(F)F)cc1[C@@H](Br)c1sc(Cl)cc1Br 2154475008 FXUBNZZRVWVWSM-SNVBAGLBSA-N 452.492 6.806 50 10 JKGE Fc1ccc(N2CC[C@]3(CCCN(Cc4ccccc4)C3)C2)c(CBr)c1Cl 2163318847 QUZHEEUALJNNQC-QFIPXVFZSA-N 451.811 5.867 50 10 JKGE FC1(F)CCC2(CC1)C[C@@H]2[C@@H](Br)c1cc(Br)ccc1Br 2163385111 AHFBILKKPYDMDG-YPMHNXCESA-N 472.993 6.863 50 10 JKGE CC(C)(C)[C@H]1C[C@H](CBr)CN(C(=O)c2cscc2OCc2ccccc2)C1 2165003423 VZWMUTZNCIQDMN-MSOLQXFVSA-N 450.442 5.846 50 10 JKGE CC(C)(C)[C@@H]1[C@@H](Br)CCN1C(=O)c1c(Br)cccc1Br 2185113900 MWLDPEBTCWMEAI-AAEUAGOBSA-N 468.027 5.236 50 10 JKGE CC[C@H](C[C@H](Br)c1c(C)c(Br)cc(C)c1Br)C(C)(C)C 2201062895 QLFQIJKBRXBOHJ-OCCSQVGLSA-N 469.099 7.727 50 10 JKGE Cc1cc(Br)c(C)c([C@@H](Br)CC2CCCCCC2)c1Br 2201073850 ORZUWLYEPGWSSY-HNNXBMFYSA-N 467.083 7.625 50 10 JKGE COc1c(C)cc(Br)cc1[C@@H](Br)c1ccc(C)c(Br)c1 2206598129 JIXLJYHKFACPTD-HNNXBMFYSA-N 463.007 6.321 50 10 JKGE CC1(C)[C@H]([C@@H](Br)c2cc(Br)c(Br)cc2F)C1(F)F 2218604414 VUBBOMSQTCWJIB-UWVGGRQHSA-N 450.918 6.078 50 10 JKGE Cc1sc(Br)c(C)c1[C@@H](Cl)c1ccc(I)c(Cl)c1 2218806757 XXOVTGNYFTTWHT-LBPRGKRZSA-N 476.004 6.714 50 10 JKGE CCn1ncc(Br)c1[C@@H](Br)c1c(C)sc(Br)c1C 2218810366 MZLMAPIKCHNPKU-JTQLQIEISA-N 457.029 5.591 50 10 JKGE Cc1nc([C@H](Br)Cc2ccc(Br)cc2Cl)c(Br)s1 2221695054 KBHPUTSWSVZAPH-SECBINFHSA-N 474.443 6.309 50 10 JKGE O=C(c1cc(Br)sc1Br)N1CCC[C@@H](CCCBr)C1 2225815611 WTZRNSBKRFORMG-SECBINFHSA-N 474.056 5.300 50 10 JKGE Clc1cc(Br)c([C@H](Br)[C@@H]2C[C@H]3C[C@H]2[C@@H]2C[C@@H]32)c(Cl)c1Cl 2232530184 PPAPXJHTILFUEA-ZLPBOKGHSA-N 459.436 7.137 50 10 JKGE Fc1cc(Br)c(Br)cc1[C@@H](Br)C1Cc2ccccc2C1 2233974251 DFCFJIZDLLOZDY-INIZCTEOSA-N 462.982 6.202 50 10 JKGE Cc1cc(Br)c([C@H](Br)[C@@H]2[C@H](C)O[C@@H](C)[C@H]2C)c(C)c1Br 2235604259 NCADRVQZFIVICN-WXJWDZGZSA-N 469.055 6.324 50 10 JKGE Cc1cc(Br)c([C@@H](Br)C2CC3(CCCC3)C2)c(C)c1Br 2235605154 JBKSOFGKWLNUGD-INIZCTEOSA-N 465.067 7.235 50 10 JKGE CCCCCCCCCCCO[C@](C)(CBr)CN(CC)C(=O)OC(C)(C)C 2239503233 QEFARABLAIYHQY-JOCHJYFZSA-N 450.502 6.944 50 10 JKGE CCN(C[C@@](C)(CBr)OCc1ccc(C(F)(F)F)cc1)C(=O)OC(C)(C)C 2239611983 UATAMHFNPLMVMA-GOSISDBHSA-N 454.327 5.633 50 10 JKGE Clc1ccc(I)c(CN2[C@H](CBr)C[C@@H]3CCCC[C@@H]32)c1 2240676086 WCEGNDZURGWSOC-PJODQICGSA-N 468.604 5.473 50 10 JKGE COc1cc(F)c(Cl)cc1[C@@H](Br)c1cc(C)ccc1I 2241000333 HDBCQGBLLZKRRC-HNNXBMFYSA-N 469.519 5.885 50 10 JKGE Clc1c(Br)csc1[C@@H](Cl)c1sc(Br)cc1Br 2242671955 ZHLYQAKXNNJXCK-ZETCQYMHSA-N 485.875 7.079 50 10 JKGE Clc1c(Br)csc1[C@@H](Br)Cc1cccc(Br)c1 2246495759 MPKOREYRZUDHAO-VIFPVBQESA-N 459.428 6.605 50 10 JKGE Cc1cc(Br)c([C@@H](Cl)c2scc(Br)c2Cl)cc1Br 2253600249 OBABVOLWAXWHDR-SNVBAGLBSA-N 493.873 7.326 50 10 JKGE Cn1ncc([C@@H](Br)c2cc3sc(Br)cc3s2)c1Br 2263558718 JUUNPPHXLFMSRN-SNVBAGLBSA-N 471.037 5.706 50 10 JKGE Fc1cc(Br)c(F)c(Br)c1[C@H](Br)[C@@]12CCC[C@@H]1CC2 2273331887 RDGKJDSXLRGMSS-IYCUSSIYSA-N 458.966 6.506 50 10 JKGE C[C@]1(C(F)(F)F)C[C@H]1[C@H](Br)Cc1cc(Br)cc(Br)c1 2277966143 QNFQCRUQPNPBHU-TUAOUCFPSA-N 464.945 6.106 50 10 JKGE COc1c([C@H](Br)c2nscc2Br)cc(Br)c2c1CCC2 2284515760 LLIYOVDZISNFCT-LBPRGKRZSA-N 482.035 5.650 50 10 JKGE Cc1ccc(CBr)cc1NC(=O)c1ccc(I)c(Cl)c1 2296119186 SOXAVRAAHJLZDP-UHFFFAOYSA-N 464.528 5.400 50 10 JKGE CCOC(=O)c1c(NC=C(C#N)c2nc(-c3ccc4c(c3)OCO4)cs2)sc(C)c1C 2296790054 LCLBXFDCWCQUOM-UHFFFAOYSA-N 453.545 5.370 50 10 JKGE CC1(C)C[C@@H]1CC[C@@H](Br)c1cc(Br)ccc1OCc1ccccc1 2299530506 MONDPTJSWNQNCC-QFBILLFUSA-N 452.230 7.290 50 10 JKGE CC(C)(C)[C@@H]1C[C@@H]1[C@@H](Br)c1ccc(OCc2ccccc2)cc1Br 2299535520 PRAIDXNQPRMVKM-NSHGMRRFSA-N 452.230 7.146 50 10 JKGE CCCc1sc(Br)cc1[C@H](Br)c1csc(Br)c1 2300646708 RSJAEHSBKUYJNK-GFCCVEGCSA-N 459.066 6.771 50 10 JKGE C[C@@H]1CCC[C@H](Cc2ccc(I)c(Br)c2)[C@@H]1Br 2306200494 YHTOJHLMWHLKBD-GLXFQSAKSA-N 472.002 5.796 50 10 JKGE COc1ccc(-c2nn(-c3ccccc3)cc2C=C(C#N)c2nc(O)c3cc(Cl)ccc3n2)cc1 2314488885 PNXVOGRXDKSWST-UHFFFAOYSA-N 479.927 5.914 50 10 JKGE N#CC(=Cc1c[nH]nc1-c1ccccc1)c1nc(-c2cc3cc(Cl)ccc3oc2=O)cs1 2314489982 UUXFMGMRXBLNCR-UHFFFAOYSA-N 456.914 6.024 50 10 JKGE Cc1ccc(Br)cc1[C@H](Cl)c1ccc(OCc2ccccc2)cc1Br 2314495400 QLGBHYKOUWNYFA-OAQYLSRUSA-N 480.627 7.427 50 10 JKGE Brc1cc(OCc2ccccc2)ccc1[C@@H](Br)[C@@H]1CC2CCC1CC2 2314500448 NLNOMAASJOOZCO-MTSKUMAMSA-N 464.241 7.290 50 10 JKGE CCOCCCN1C(=O)C(=Cc2ccc(-c3cc(Cl)ccc3Cl)o2)C(C)=C(C#N)C1=O 2314618100 HIDUONUDGZZBTR-UHFFFAOYSA-N 459.329 5.272 50 10 JKGE CCCOc1ccccc1C=C(C#N)C(=O)Nc1nc(-c2ccc(-c3ccccc3)cc2)cs1 2314774115 TZHKTTSCEXAWIM-UHFFFAOYSA-N 465.578 6.812 50 10 JKGE CCc1ccccc1CO[C@@](C)(CI)CN(CC)C(=O)OC(C)(C)C 2316043970 NJBQSMPLBDXIFT-FQEVSTJZSA-N 461.384 5.216 50 10 JKGE COc1cc([C@@H](Cl)c2ccc(OCc3ccccc3)cc2Br)sc1Cl 2317956968 GJRDRNUEGVYGDV-SFHVURJKSA-N 458.204 7.080 50 10 JKGE COc1cccc(C=C(C#N)c2nc3ccc(C)cc3[nH]2)c1OCc1ccc(Br)cc1 2331018219 AJEPUABDYOVMSX-UHFFFAOYSA-N 474.358 6.286 50 10 JKGE CCCCc1ccc(-c2csc(C(C#N)=C(O)CNC(=O)c3ccc(Cl)cc3Cl)n2)cc1 2331256130 VFVNIKVEIXCEJB-UHFFFAOYSA-N 486.424 6.682 50 10 JKGE CCCCc1ccc(-c2csc(C(C#N)=C(O)c3cc(OC)c(OC)c(OC)c3)n2)cc1 2331256185 ZMDCVVADKBWQJF-UHFFFAOYSA-N 450.560 6.128 50 10 JKGE N#CC(=C(O)CN1C(=O)COc2ccc(Cl)cc21)c1nc(-c2ccccc2Cl)cs1 2331271506 RNEQUTROWKHPAQ-UHFFFAOYSA-N 458.326 5.335 50 10 JKGE CC(C)(C)c1ccc(OCCCC(O)=C(C#N)c2nc(-c3cccc(Br)c3)cs2)cc1 2331278769 GUXBKNKJPONXKF-UHFFFAOYSA-N 497.458 7.522 50 10 JKGE N#CC(=C(O)c1ccc2c(c1)C(=O)N(Cc1ccccc1)C2=O)c1nc(-c2ccc(F)cc2F)cs1 2331286567 KWZIOZMLVFMWPT-UHFFFAOYSA-N 499.498 5.834 50 10 JKGE CCCOc1ccc(-c2csc(C(C#N)=C(O)C=Cc3ccc(F)cc3)n2)cc1OCCC 2331293381 DALARBYAUFKTID-UHFFFAOYSA-N 464.562 7.033 50 10 JKGE N#CC(=C(O)CCCCCNC(=O)c1ccccc1)c1nc(-c2cccc(Cl)c2)cs1 2331294469 VKULECOHNXNZAE-UHFFFAOYSA-N 451.979 6.247 50 10 JKGE N#CC(=Cc1ccccc1OCc1ccc(Cl)cc1)c1nc(-c2ccc(Cl)c(Cl)c2)cs1 2331443936 PUSBDSKJEGZXAY-UHFFFAOYSA-N 497.834 8.413 50 10 JKGE COc1cc(OC)c(-c2csc(C(C#N)=Cc3cc(Br)ccc3F)n2)cc1Cl 2331472327 KBUQBDBRRIRSEH-UHFFFAOYSA-N 479.758 6.446 50 10 JKGE Brc1cc(OCc2ccccc2)ccc1[C@H](Br)C1(c2ccccc2)CC1 2336050390 KGKUOSRJNNUODO-QFIPXVFZSA-N 472.220 7.196 50 10 JKGE COc1ccc([C@H](Br)c2cc(Br)ccc2OCc2ccccc2)c(Cl)c1 2336055760 CLHOTMPGBRSHGF-NRFANRHFSA-N 496.626 7.174 50 10 JKGE CC(C)(C)[C@@H](C[C@@H](Br)c1cc(Br)ccc1OCc1ccccc1)C(F)F 2336055905 DQADOLBODNPILN-ZWKOTPCHSA-N 490.226 7.782 50 10 JKGE CC(C)(F)[C@@](C)(F)[C@H](Br)c1c(Cl)cc(Br)c(F)c1Br 2337098692 RPDALURHDYTWTR-PWSUYJOCSA-N 487.379 6.916 50 10 JKGE CCCc1sc(Br)cc1[C@H](Cl)c1ccc(C)c(I)c1 2338016397 AGPXNOGKDOKLHZ-OAHLLOKOSA-N 469.613 6.704 50 10 JKGE Cc1cc(Br)c(F)c(Br)c1[C@H](Br)C1(C)CC(F)(F)C1 2339651870 SYVLYQMYYQIWFE-NSHDSACASA-N 464.945 6.531 50 10 JKGE Cc1cc(Br)c(F)c(Br)c1[C@H](Br)C1(C(C)C)CCC1 2339686035 WLZXOLBSUWJEGS-AWEZNQCLSA-N 457.019 6.921 50 10 JKGE C[C@H](c1ccncc1Br)[C@@H](Cl)c1ccc(Cl)cc1I 2340050147 NNDSBVLQLAKKLW-XLKFXECMSA-N 470.963 6.186 50 10 JKGE Cl[C@H](c1csc(I)c1)c1cc2c(cc1Br)OCCC2 2343597449 WFHHVIZNAMUCGI-CQSZACIVSA-N 469.569 5.768 50 10 JKGE Brc1cc(OCc2ccccc2)ccc1[C@@H](Br)[C@H]1C[C@@H]2CCCCCC[C@@H]21 2361168114 JJJHYAAFOUCHMI-UYLMIGBBSA-N 492.295 8.071 50 10 JKGE CC(F)(F)c1ccc([C@@H](Cl)c2cc(Br)ccc2OCc2ccccc2)cc1 2361170013 AEYUQNRGDDTFJL-OAQYLSRUSA-N 451.738 7.468 50 10 JKGE O=C(CSc1nc2ccccc2n1Cc1ccc(Cl)cc1)N/N=C/C=C\c1ccco1 19849169 NZZNTOCWBSIZBU-INVWXUCESA-N 450.951 5.239 50 10 JKGE N#C/C(=C/c1cn(Cc2ccc(F)cc2Cl)c2ccccc12)S(=O)(=O)c1ccccc1 20530059 KRQLMFJWBCRBNQ-MTJSOVHGSA-N 450.922 5.820 50 10 JKGE C/C(=N\NC(=O)C=C(Sc1ccccc1)Sc1ccccc1)c1ccc2ccccc2c1 21323885 YONCHUZKROYJDY-VFCFBJKWSA-N 454.620 7.106 50 10 JKGE CCN(CC)c1ccc(/C=N/NC(=O)c2ccccc2OCc2cccc(Br)c2)cc1 27528154 ZFWNEPDYMCNYMV-WPWMEQJKSA-N 480.406 5.638 50 10 JKGE C=CCNC(=O)/C(C#N)=C/c1cn(-c2ccccc2)nc1-c1ccc(OCc2ccc(C)cc2)cc1 33378984 KBIZHYOZVYUQDD-XIEYBQDHSA-N 474.564 5.636 50 10 JKGE CCCOc1ccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)COc4cc(C)cc(C)c4)ccc32)cc1 38650691 IRSOJEXLMPWWHK-MUUNZHRXSA-N 484.552 5.295 50 10 JKGE CC(C)c1ccc(OCC(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@H]3c2ccc(Cl)cc2)cc1 38651410 QISFSUCNGUIXFB-SANMLTNESA-N 474.944 5.666 50 10 JKGE CCOc1ccc(C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@@H]3c2cccc3ccccc23)cc1 38657750 KLCPQVRVIKMPGK-HHHXNRCGSA-N 462.505 5.676 50 10 JKGE CCCCOc1ccccc1[C@H]1C(C#N)=C(N)Oc2cc(OC(=O)c3ccc(C(C)(C)C)cc3)ccc21 38682650 CXPIDPLVQCZJFO-MUUNZHRXSA-N 496.607 6.600 50 10 JKGE COc1cc(/C=N\NC(=O)CC[C@H](O)c2ccccc2)cc(Cl)c1OCc1ccccc1F 58889833 JTXWDSYPJNQUKY-WHXCVRPHSA-N 470.928 5.031 50 10 JKGE O=C(N/N=C/c1ccc(OCc2ccccc2)cc1)c1cccc(NC(=O)c2ccc(F)cc2)c1 59260870 ROXVATJIDAYXCX-UXHLAJHPSA-N 467.500 5.421 50 10 JKGE COc1cc(/C=N\NC(=O)c2ccc(C)cc2)cc(Br)c1OCc1ccccc1 83314777 MAUCXQMIIYPSLW-QFEZKATASA-N 453.336 5.109 50 10 JKGE COc1ccc(-c2nn(Cc3ccccc3)cc2/C=C(/C#N)C(=O)Nc2cccc(C(C)=O)c2)cc1 96438839 CHGUTIAVEQZMNY-IWIPYMOSSA-N 476.536 5.355 50 10 JKGE COC(=O)c1ccc(C(=O)OC)c(N/C=C(/C#N)c2nc(-c3ccc(CC(C)C)cc3)cs2)c1 102417550 GILGUWBBLQEFKY-ZHZULCJRSA-N 475.570 5.558 50 10 JKGE Brc1cc([C@@H](Br)c2cc3c(s2)CCCC3)c(Br)s1 104027144 IQOPTNNVTSHNKE-GFCCVEGCSA-N 471.077 6.698 50 10 JKGE N#CC(/C=C1/C(=O)N(c2c(Cl)cccc2Cl)c2ccccc21)=C(\N)NCc1ccccc1 104246274 YSGPDSCBKMWRKF-OSHREUJTSA-N 461.352 5.539 50 10 JKGE COc1ccc(/C=C\C(=O)Oc2ccc(/C=C(\C#N)c3nc(-c4ccccc4)cs3)cc2)cc1 210606879 PTBSZUAORNIJAW-FNBMSSDVSA-N 464.546 6.502 50 10 JKGE CCCCCN1C(=O)C(C#N)=C(C)/C(=C/c2cn(-c3ccccc3)nc2-c2ccc([N+](=O)[O-])cc2)C1=O 214232283 OUKINBKYBCFORO-JLPGSUDCSA-N 495.539 5.230 50 10 JKGE COc1ccc(Br)cc1[C@@H](Cl)c1cccc(C)c1I 234845223 NOPOJJQWIOLMKI-AWEZNQCLSA-N 451.529 5.699 50 10 JKGE Fc1cccc(F)c1C[C@H](Br)c1cc(Cl)ccc1I 236188839 UGDXCVWZNIIYBP-NSHDSACASA-N 457.483 5.902 50 10 JKGE Fc1cc(F)c([C@H](Cl)c2cc(I)ccc2Br)cc1F 236263968 DJKQBQRBPIVYDX-CYBMUJFWSA-N 461.446 5.799 50 10 JKGE CCCCCCCCCC(=O)NCC(=O)NN=Cc1ccc(OCc2ccc(C)cc2)cc1 254525610 VCMCXTUQWLWKFZ-UHFFFAOYSA-N 451.611 5.281 50 10 JKGE Cc1cc(C=NNC(=O)CNc2ccc(Br)cc2)c(C)n1-c1cc(Cl)ccc1Cl 254607899 QVEJFYLRSHRFIN-UHFFFAOYSA-N 494.220 5.726 50 10 JKGE C=CCOc1ccc(C(=O)NN=Cc2ccc(OC(=O)c3ccc(OCCC)cc3)c(OC)c2)cc1 263627104 NQONHXNJUSQONZ-UHFFFAOYSA-N 488.540 5.032 50 10 JKGE C[C@H](Br)C[C@@H]1CCCN1C(=O)c1cc(Br)c(Br)s1 310658882 CSRFABIWWMTVAK-YUMQZZPRSA-N 460.029 5.051 50 10 JKGE O=C(Nc1cccc(CCBr)c1)c1cc(Br)c(Br)s1 313179054 FCQMFFRIEBYJMH-UHFFFAOYSA-N 468.008 5.463 50 10 JKGE Brc1cc([C@@H](Br)c2ccc3sccc3c2)c(Br)s1 386259894 VDZJJIDPAZFTEZ-LBPRGKRZSA-N 467.045 6.972 50 10 JKGE Cl[C@H](c1ccc(OCc2ccccc2)cc1)c1cc(I)cc2c1OCC2 388317743 IDYJZEGEBSWQQB-OAQYLSRUSA-N 476.741 6.133 50 10 JKGE C[C@@H]1CN(Cc2ccccc2)CC[C@H]1n1c(CCl)nc2cc(I)c(F)cc21 397985204 YPSIGEBNJQYWBA-AUUYWEPGSA-N 497.783 5.602 50 10 JKGE CC[C@H](CC(F)(F)F)[C@@H](Br)c1cc(Br)c(Br)s1 402630775 MJZGZXDLDMRXSL-SVGQVSJJSA-N 458.963 6.688 50 10 JKGE Clc1ccc(I)c(CN[C@H](CBr)C2CCCCC2)c1 405295411 KLVVHUIJXAWEAO-OAHLLOKOSA-N 456.593 5.378 50 10 JKGE CN(C(=O)OC(C)(C)C)c1ccccc1[C@H]1CCOCCN1CCO[Si](C)(C)C(C)(C)C 616597621 DWJGIAWWEKCMCS-JOCHJYFZSA-N 464.723 5.843 50 10 JKGE O=[N+]([O-])c1ccc(Br)cc1Oc1ccc(CBr)cc1Br 703803133 IUNRTFWRKGERKH-UHFFFAOYSA-N 465.923 5.807 50 10 JKGE ClCc1nc2cc(Cl)cnc2n1CC1(N(Cc2ccccc2)Cc2ccccc2)COC1 705870516 WZWOCZJFAWCRSE-UHFFFAOYSA-N 467.400 5.295 50 10 JKGE Clc1cc(Br)c(OCc2ccsc2Br)c(CBr)c1 708137882 GFYMZQLIZRGBHG-UHFFFAOYSA-N 475.427 6.400 50 10 JKGE C[C@@H](CC(C)(C)C)CC(CBr)(CBr)c1ccc(Br)cc1 709071998 VTVDFCABLISGAD-ZDUSSCGKSA-N 469.099 6.939 50 10 JKGE O=C(NC1(CBr)CCCCCC1)c1cc(Cl)ccc1I 713490048 LYRLGSOSFOKSDB-UHFFFAOYSA-N 470.576 5.162 50 10 JKGE COc1cc(/C=C\C(=O)Cl)cc(I)c1OCc1ccc(F)cc1Cl 1081475951 WAKUPWNWTSJXHV-DJWKRKHSSA-N 481.088 5.450 50 10 JKGE COc1cc(C=NNC(=O)c2ccccc2-n2cccc2)ccc1OC(=O)c1ccc(Cl)cc1 1084121987 MYWJDLTYBGBZKG-UHFFFAOYSA-N 473.916 5.122 50 10 JKGE COc1cccc(/C=C(/C#N)C(=O)Nc2ccc(C)cc2)c1OCc1ccc(Cl)cc1Cl 1084394961 LREHYVJASHBWHC-UNOMPAQXSA-N 467.352 6.435 50 10 JKGE CCCCCCCCCCOc1ccc(C(=O)NN=Cc2ccc(Sc3ccccn3)o2)cc1 1084589246 OVLGBTDNHCPGRG-UHFFFAOYSA-N 479.646 7.109 50 10 JKGE COc1ccc(CSCC(=O)NN=Cc2cc(C)n(-c3cccc(Cl)c3Cl)c2C)cc1 1084642581 VCIIHZBCJVPCOO-UHFFFAOYSA-N 476.429 5.793 50 10 JKGE O=C(OCc1ccccc1)N1C[C@@H](CBr)[C@@H](c2cc(Br)cc([N+](=O)[O-])c2)C1 1614643191 SAHUIHABZUVSOK-CRAIPNDOSA-N 498.171 5.104 50 10 JKGE Cc1ccc(NC(=O)c2oc3c(c2C)C(=NNC(=O)c2cccc4ccccc24)CCC3)nc1 1772748074 NGYJEKVXBBRZGG-UHFFFAOYSA-N 452.514 5.167 50 10 JKGE CCc1ccc(NC(=O)c2oc3c(c2C)C(=NNC(=O)c2cncc(Br)c2)CCC3)cc1 1772748465 YHEIXPPEEYMZNB-UHFFFAOYSA-N 495.377 5.031 50 10 JKGE C[C@H](Oc1ccc(-c2ccccc2)cc1)C(=O)NN=Cc1ccc(OCc2ccccc2Cl)cc1 1772755327 BCDNGRBIGXAWAH-NRFANRHFSA-N 484.983 6.504 50 10 JKGE O=C(CSc1nc2ccccc2[nH]1)NN=Cc1cccc(OCc2c(F)cccc2Cl)c1 1772760408 JTNLMBOAYVPNPR-UHFFFAOYSA-N 468.941 5.177 50 10 JKGE CCCc1nn(-c2cccc3ccccc23)c2c1[C@H](c1ccc(OCC)c(OCC)c1)C(C#N)=C(N)O2 1865689172 LMJHLHCBZDEUDC-HHHXNRCGSA-N 494.595 5.994 50 10 JKGE COc1ccc(-c2nn(-c3ccc(OC)cc3)c3c2[C@@H](c2ccccc2C)C(C#N)=C(N)O3)cc1 1865713278 VONDZLJBHMMJQB-DEOSSOPVSA-N 464.525 5.083 50 10 JKGE CCc1nn(-c2ccc(Cl)cc2)c2c1[C@H](c1ccc(Br)cc1)C(C#N)=C(N)O2 1865715162 YHOICYNBEOYWBS-GOSISDBHSA-N 455.743 5.069 50 10 JKGE COCCc1nc(Nc2ccc(SC#N)cc2)cc(N2[C@@H](Cc3ccccc3)COCC2(C)C)n1 1868253210 CJJWFTNJHHPCJD-QFIPXVFZSA-N 489.645 5.209 50 10 JKGE COc1cccc(-c2nc(Nc3ccc(SC#N)cc3)cc(N(C)c3ccc(OC)c(OC)c3)n2)c1 1868505982 OVLAUEAXANACEK-UHFFFAOYSA-N 499.596 6.254 50 10 JKGE CC(C)OC(=O)c1ccc(/C(C#N)=C/c2ccccc2OCc2ccc(Cl)c(Cl)c2)o1 1872728607 LDVQMIHPIPNUFM-LDADJPATSA-N 456.325 6.795 50 10 JKGE CCc1ccc(-c2csc(/C(C#N)=C(\O)[C@H]3CC(=O)N(c4ccccc4C(=O)OC)C3)n2)cc1 1872744166 ILLUQDYUQKCBMI-FCFMXISVSA-N 473.554 5.005 50 10 JKGE Cc1c(/C(O)=C(\C#N)c2nc(-c3ccc(Cl)cc3Cl)cs2)cc([N+](=O)[O-])cc1[N+](=O)[O-] 1872744851 LHDQUAVUOOMAEU-JXAWBTAJSA-N 477.285 6.192 50 10 JKGE COc1ccc(-c2csc(/C(C#N)=C(\O)COc3cc(Cl)ccc3Cl)n2)c(OC)c1 1872755496 QLWSQDGCRWDRPU-SDXDJHTJSA-N 463.342 6.006 50 10 JKGE Cc1ccc(-c2csc(/C(C#N)=C/c3ccccc3OCc3ccccc3Cl)n2)cc1C 1872793716 PMLBUOKVYOKSNJ-OEAKJJBVSA-N 456.998 7.724 50 10 JKGE N#C/C(=C\c1c(OCc2ccccc2)ccc2ccccc12)c1nc(-c2ccc(Cl)s2)cs1 1872794542 IGTJPUVQTOMAAI-XSFVSMFZSA-N 485.033 8.321 50 10 JKGE Cc1cc(Br)c(F)c(C(=O)N(Cc2ccccc2)[C@@H](C)CCBr)c1 1915116092 QEZUTVPSVGQLBW-AWEZNQCLSA-N 457.181 5.713 50 10 JKGE CC(C)(CCl)N(Cc1ccccc1)C(=O)c1cc(Br)cc(Br)c1 1915787665 HURUYMHEQCBCNH-UHFFFAOYSA-N 459.609 5.871 50 10 JKGE C[C@]1([C@H](Br)c2c(Br)sc(Br)c2Cl)CCOC1 1923061280 IXLSZPGEZOSWBO-XCBNKYQSSA-N 453.421 5.789 50 10 JKGE Fc1cccc([C@@H](Cl)c2c(Br)sc(Br)c2Br)c1 1924584104 TXMIUQLGRRFLEO-SECBINFHSA-N 463.391 6.503 50 10 JKGE Cl[C@@H](c1c(Br)sc(Br)c1Br)C(C1CCC1)C1CCC1 1924596301 MQRWDQDQTRAZPM-GFCCVEGCSA-N 491.514 7.532 50 10 JKGE Clc1sc(Br)c(Cl)c1[C@H](Cl)c1cccc(Br)c1Cl 1925587701 LMTRJSZYJMUGFJ-MRVPVSSYSA-N 469.840 7.562 50 10 JKGE BrCc1ccc(N(Cc2ccccc2)CC2CCOCC2)c(Br)c1 1946743918 GPNIENHJEQATEA-UHFFFAOYSA-N 453.218 5.777 50 10 JKGE Cc1cccc(Br)c1[C@@H](Br)c1sc(Cl)cc1Br 1948827987 GIEWZODJYMKFPB-LLVKDONJSA-N 459.428 6.719 50 10 JKGE FC(F)(F)[C@@H]1C[C@H]1[C@@H](Cl)c1c(Br)sc(Br)c1Br 1950753491 DEAHHGSHRWFRED-ULKCASBJSA-N 477.365 6.514 50 10 JKGE Cl[C@@H](c1cc(Br)cs1)c1cc(Br)sc1Br 1961677056 HOSSZUJSYZHWIS-MRVPVSSYSA-N 451.430 6.425 50 10 JKGE Br[C@H]1C[C@@H](CNCc2ccc(OCc3ccccc3)c(OCc3ccccc3)c2)C1 1991510162 IBRHEVCJVDIABY-PSWAGMNNSA-N 466.419 6.108 50 10 JKGE COc1sc([C@H](Br)c2cc(Br)c(Cl)s2)cc1Br 2004903147 UZUNQBOEYXRSGB-MRVPVSSYSA-N 481.456 6.481 50 10 JKGE CN(Cc1ccccc1)[C@H]1CCCCN(c2cc(Br)ccc2CBr)C1 2050045417 AGSSQGCCRRTZDR-FQEVSTJZSA-N 466.261 5.835 50 10 JKGE FC1(F)CCC[C@@H]2[C@H]([C@H](Br)c3cc(Br)sc3Br)[C@@H]21 2051244505 TWTCPYRPMCEPSZ-KNPZVZKISA-N 464.995 6.391 50 10 JKGE Cc1cc(Br)c(C)c([C@H](Cl)c2cc(Br)sn2)c1Br 2081059559 JDUFVUGGYKYLGV-GFCCVEGCSA-N 474.443 6.376 50 10 JKGE C[C@H]1Cc2cc([C@H](Br)c3cscc3Br)cc(Br)c2O1 2090469751 IBAAFTTUIPIVAD-CPFSXVBKSA-N 467.020 6.081 50 10 JKGE CCn1ncc(Br)c1[C@@H](Br)c1ccc(F)c(Br)c1F 2094274423 LGQXAGMSPBUYBX-VIFPVBQESA-N 458.926 5.191 50 10 JKGE Fc1cc(Br)ccc1[C@@H](Br)c1cc(C2CC2)c(Br)s1 2094674708 YKOVXWQBMYQRNB-CYBMUJFWSA-N 469.011 6.774 50 10 JKGE COc1cc(C)c(Br)cc1[C@H](Br)c1cc(C)sc1Br 2101013865 HLHCMWAKZKDRFK-ZDUSSCGKSA-N 469.036 6.383 50 10 JKGE Clc1cccc(Cl)c1C[C@@H](Br)c1ccc(Br)cc1Br 2104785040 WKEGOKFVYJMHAC-GFCCVEGCSA-N 487.844 7.197 50 10 JKGE O=C(NC[C@@H]1CCCC[C@H](Br)C1)c1scc(Br)c1Br 2107496791 GEZGAKFIMSKROR-BDAKNGLRSA-N 474.056 5.347 50 10 JKGE C[C@@](CBr)(Cc1cc(Br)ccc1Br)C1CCCCC1 2118532345 OLVQJPAYDZKUCS-INIZCTEOSA-N 453.056 6.736 50 10 JKGE CC(C)CC1([C@@H](Br)c2ccc(Br)cc2Br)CCCC1 2138851188 JKYVJNSSYFMOIX-HNNXBMFYSA-N 453.056 7.254 50 10 JKGE ClCc1nc2ccncc2n1-c1cc(Br)c(Br)c(Br)c1 2151780949 WAPOVOCHHOKWIT-UHFFFAOYSA-N 480.385 5.447 50 10 JKGE O=C(NC[C@H]1CCCC[C@H](Br)C1)c1cccc(Br)c1Br 2163752643 AWMKPNIPDZYXTB-QWRGUYRKSA-N 468.027 5.285 50 10 JKGE Fc1cc(Br)cc(CBr)c1OCc1ccc(Cl)c(Br)c1 2166825140 BVEBWCHSLDDWAX-UHFFFAOYSA-N 487.388 6.478 50 10 JKGE Brc1cccc(CN2CCC[C@@H]3CC[C@H](Br)C[C@H]32)c1Br 2167009210 LEMLTERVYVQGQT-OSAQELSMSA-N 466.055 5.740 50 10 JKGE Clc1ccccc1C[C@@H](CBr)Cc1cc(Br)ccc1Br 2175147280 MNVFPTBGBFHRCU-LLVKDONJSA-N 481.453 6.661 50 10 JKGE Cc1cc(Br)c(C)c([C@H](Br)C[C@H]2CCC23CCC3)c1Br 2201080571 YQEPRQRZZJHCLI-TZMCWYRMSA-N 465.067 7.235 50 10 JKGE Fc1cc(Br)c([C@H](Br)Cc2cccc(Br)c2)c(F)c1Cl 2201618873 LQCNVRGRICWPNT-SECBINFHSA-N 489.379 6.822 50 10 JKGE Cc1c(Br)csc1[C@H](Br)[C@@H](C)c1ccncc1Br 2219005191 KTMCPNNEFCJZMX-JVXZTZIISA-N 454.025 6.216 50 10 JKGE C[C@@H]1COCC[C@@H]1[C@H](Br)c1c(Br)cc(Cl)c(Cl)c1Cl 2224301928 GCSKYZGQNZSBRA-BUYFANAVSA-N 451.413 6.518 50 10 JKGE Cc1cc(Br)c([C@H](Br)[C@@H]2CC[C@@H]2C(F)(F)F)cc1Br 2224375519 MWUZVGMTEAGYHU-VFWDIBGWSA-N 464.945 6.545 50 10 JKGE COc1c(C(C)C)cc(Br)cc1[C@@H](Br)[C@H]1C[C@@H](Br)C1 2224919035 WKGWUAMFVDIFAQ-RBZYPMLTSA-N 455.028 6.191 50 10 JKGE Cc1nn(C)c([C@H](Cl)c2cc(Br)c(Br)cc2F)c1Br 2225616795 QEGLQDFHBXMIPC-LLVKDONJSA-N 475.381 5.483 50 10 JKGE CC[C@@](C)(CCCC(C)C)OC1(CI)CCN(C(=O)OC(C)(C)C)CC1 2226056940 KPRKQPNXEZBROR-FQEVSTJZSA-N 481.459 6.203 50 10 JKGE COc1c(C)cc(Br)cc1[C@H](Br)c1sc(C)cc1Br 2229317376 ICVJBWMFNINRIM-LBPRGKRZSA-N 469.036 6.383 50 10 JKGE CC1(C)CN(Cc2cccc(Br)c2Br)C[C@@H]1CCBr 2230142965 ILTNEBOLRPIYIH-LBPRGKRZSA-N 454.044 5.455 50 10 JKGE Clc1cccc(C[C@H](Br)c2c(Br)cc(Cl)c(Cl)c2Cl)c1 2232509355 CJVJFZDURGALHR-VIFPVBQESA-N 477.838 7.741 50 10 JKGE CCOc1ccc([C@@H](Cl)c2ccc(C)c(I)c2)c(Br)c1 2232832732 GIGAWKBJFJQYET-INIZCTEOSA-N 465.556 6.089 50 10 JKGE CC(C)(C)OC1CC(C[C@H](Br)c2ccc(Br)cc2Br)C1 2232948722 KGEVPVYQDLEBEC-OVGLSYRBSA-N 469.055 6.631 50 10 JKGE Fc1cc(Br)c(Br)cc1[C@H](Br)[C@H]1C[C@H]2COC[C@H](C2)C1 2233981595 KPYSBBVHWZCWTB-DRNSDYETSA-N 471.002 5.849 50 10 JKGE O=C(c1ccc(Br)cc1Br)N1CCC[C@H](CCCBr)C1 2234182389 ROWQGSYIZTZRFD-NSHDSACASA-N 468.027 5.239 50 10 JKGE CCOc1ccc([C@@H](Br)c2sc(C)c(C)c2Br)cc1Br 2237630386 VDDQPXUDKNAAOP-CQSZACIVSA-N 483.063 6.773 50 10 JKGE FC(F)(F)Oc1ccc(Cl)cc1[C@H](Br)c1sccc1Br 2239617888 KIHGUONSQHHWGZ-JTQLQIEISA-N 450.501 6.547 50 10 JKGE CCc1cc([C@@H](Br)c2nc(C)sc2Br)sc1Br 2248053965 XYEZCFIYAVAZLH-MRVPVSSYSA-N 460.054 6.085 50 10 JKGE FC1(F)CC[C@@H]([C@H](Cl)c2c(Br)sc(Br)c2Br)C1 2252721267 LJXOYTJMEQKYMY-FBCQKBJTSA-N 473.402 6.751 50 10 JKGE Cl[C@H](c1cc(I)sn1)c1cc2sc(Br)cc2s1 2252911021 PXNHXWIGOJBENV-SNVBAGLBSA-N 476.611 6.115 50 10 JKGE Cc1cc(Br)c([C@H](Br)c2cc(Br)sn2)c(C)c1F 2253508109 FDQOOSBTHXQJMI-LLVKDONJSA-N 457.988 5.908 50 10 JKGE Clc1cccc(C[C@@H](Br)c2cccc(Br)c2)c1Br 2259399743 GPMPIYACFRMVOF-GFCCVEGCSA-N 453.399 6.544 50 10 JKGE FCCC1([C@H](Br)c2c(F)cc(Br)c(F)c2Br)CC1 2260005024 DAUJTMONZPSPHI-LLVKDONJSA-N 450.918 6.066 50 10 JKGE Cc1cc(Cl)c(Cl)cc1[C@H](Br)c1cc(Cl)ccc1I 2264360030 MLHWGFDXCUIJCE-AWEZNQCLSA-N 490.393 7.044 50 10 JKGE COc1cc(C)c([C@H](Br)c2scc(Br)c2Cl)cc1Br 2264609877 PHAPFRROQBVDOG-NSHDSACASA-N 489.454 6.728 50 10 JKGE Fc1cc(Cl)c([C@H](Br)c2cc(Br)c(F)cc2Cl)cc1Cl 2285986003 OTIYGWDACSNOJI-CYBMUJFWSA-N 465.346 7.172 50 10 JKGE COc1c(Br)cc(Cl)c(C)c1[C@@H](Br)c1cc(C)c(Br)o1 2295264930 LIKKTKODAUMWKA-LBPRGKRZSA-N 487.413 6.568 50 10 JKGE CC12CCC([C@@H](Br)Cc3cc(Br)cc(Br)c3)(CC1)CO2 2295330736 ZIDANZGATNWFHS-FHERZECASA-N 467.039 5.867 50 10 JKGE N#CC(=C(Nc1ccccc1Cl)SCc1ccc(F)cc1)S(=O)(=O)c1ccccc1 2297350066 RMLHKLZYJFLIKM-UHFFFAOYSA-N 458.967 5.991 50 10 JKGE Cc1cccc(NC(SCc2ccccc2Cl)=C(C#N)S(=O)(=O)c2ccccc2)c1C 2297350173 QGMXDPSEVOVIFL-UHFFFAOYSA-N 469.031 6.469 50 10 JKGE CC(C)(C)[C@H]1CC(=Cc2cccc(Cl)c2)C2=C(C1)[C@H](c1cccc(Cl)c1)C(C#N)=C(N)O2 2297710743 NVXPHPHALPJSSC-CYFREDJKSA-N 465.424 7.595 50 10 JKGE FC1(F)[C@@H]([C@@H](Br)c2cc(Br)ccc2OCc2ccccc2)C12CC2 2299503384 FGJBRSPVYLSCLC-IRXDYDNUSA-N 458.140 6.509 50 10 JKGE C[C@@]1([C@H](Br)c2cc(Br)ccc2OCc2ccccc2)CCCCO1 2299520801 CHXHNNQVYHLHNH-UXHICEINSA-N 454.202 6.423 50 10 JKGE CC(C)C[C@H](CBr)CSc1cc(I)ccc1Br 2308052490 AKQWHAFFQNSAET-SNVBAGLBSA-N 492.058 6.203 50 10 JKGE CCOc1ccc(NC(=O)C(C#N)=Cc2ccc(-c3ccc(Br)c(C)c3C)o2)cc1 2313548627 AGZDXHAUYDVWQF-UHFFFAOYSA-N 465.347 6.270 50 10 JKGE CCOc1cc(C=C(C#N)C(=O)Nc2cccc3ccccc23)ccc1OC(=O)c1ccccc1 2313675776 QRPKZOKRLUOOEU-UHFFFAOYSA-N 462.505 6.003 50 10 JKGE N#CC(=Cc1ccc(-c2ccc(Cl)c(Cl)c2)o1)c1nc(O)c2c3c(sc2n1)CCCC3 2314457039 ULJFOFYBBUSWMB-UHFFFAOYSA-N 468.365 6.907 50 10 JKGE Brc1cc(OCc2ccccc2)ccc1[C@@H](Br)[C@@H]1CC12CCOCC2 2314503967 XYDVDTGJJBONKH-AZUAARDMSA-N 466.213 6.281 50 10 JKGE CCCCCCN1C(=O)C(=Cc2ccc(OCc3ccccc3)c(OCC)c2)C(C)=C(C#N)C1=O 2314610226 FSOURBLRWLDQFS-UHFFFAOYSA-N 472.585 5.837 50 10 JKGE C=CCN1C(=O)C(=Cc2cn(-c3ccccc3)nc2-c2ccc(OCCC)c(F)c2)C(C)=C(C#N)C1=O 2314617476 YXBOXSHSOSZHIE-UHFFFAOYSA-N 496.542 5.245 50 10 JKGE CCCOc1ccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)C=Cc4ccccc4)ccc32)cc1 2314634079 KLQMTGLUFDTWKU-HHHXNRCGSA-N 452.510 5.312 50 10 JKGE COc1cc(C=C(C#N)c2ccc(Cl)cc2)ccc1OC(=O)[C@@H](C)N1C(=O)c2ccccc2C1=O 2314717290 YYONWZPXXAGEFN-MRXNPFEDSA-N 486.911 5.003 50 10 JKGE CCCCNC(=O)C(C#N)=Cc1ccc(OC(=O)COc2ccccc2-c2ccccc2)cc1 2314785883 WGVGQUOXXASMMP-UHFFFAOYSA-N 454.526 5.161 50 10 JKGE COc1ccc(Br)cc1[C@@H](Cl)c1sc(Cl)cc1I 2316601964 AKHZZYPBHFJZMD-LLVKDONJSA-N 477.976 6.105 50 10 JKGE CCCCOC(=O)c1ccccc1NC(=O)C(C#N)=CNC1CCCCCCCCCCC1 2325307012 CJTYXFQPWCRGTC-UHFFFAOYSA-N 453.627 6.252 50 10 JKGE CCCCCCOc1ccc(C=NNC(=O)[C@H](CC(C)C)NC(=O)OC(C)(C)C)cc1OC 2328822776 WUFAUDBGWUXAJL-FQEVSTJZSA-N 463.619 5.044 50 10 JKGE CCCOc1ccc(-c2csc(C(C#N)=C(O)C=Cc3cc(OC)c(OC)c(OC)c3)n2)cc1 2331318546 XIWPDTCDHQQQFQ-UHFFFAOYSA-N 478.570 6.131 50 10 JKGE CCc1cccc(CC)c1N1C[C@@H](C(O)=C(C#N)c2nc(-c3cccc4ccccc34)cs2)CC1=O 2331339164 LUOACMJRWZTXMY-QFIPXVFZSA-N 493.632 6.934 50 10 JKGE COc1ccc(-c2csc(C(C#N)=Cc3ccc(OCc4ccc(Cl)cc4)cc3)n2)cc1OC 2331417434 OYWOCBFTEMOPQB-UHFFFAOYSA-N 488.996 7.124 50 10 JKGE CCCCCCOc1ccc(C=C(C#N)c2nc(-c3ccc(OC)c(C)c3C)cs2)cc1OC 2331468340 ZRSKXFCRQBVFMW-UHFFFAOYSA-N 476.642 7.467 50 10 JKGE CCOc1ccc(-c2csc(C(C#N)=Cc3cccc(OC)c3OCC)n2)c(OCC)c1 2331473580 KIVWRIITJQUEMC-UHFFFAOYSA-N 450.560 6.079 50 10 JKGE COc1cc(OC)c(OC)cc1C=C(C#N)c1nc(-c2cc(Cl)c(OC)c(Cl)c2)cs1 2331480647 BPGLZGPBRRGVRS-UHFFFAOYSA-N 477.369 6.215 50 10 JKGE COc1cc(Br)cc(C=C(C#N)c2nc(-c3ccc(Cl)s3)cs2)c1O 2331484914 BMOUQFIYVJWZMZ-UHFFFAOYSA-N 453.770 6.066 50 10 JKGE FC1(F)[C@H]2C[C@@H]([C@@H](Br)c3ccc(OCc4ccccc4)cc3Br)CC[C@H]21 2336041075 KYZRGVNXKKBFQG-XBQLCILLSA-N 486.194 7.146 50 10 JKGE Cc1c([C@@H](Cl)c2sc(Br)c(C)c2Br)ccc(Cl)c1Cl 2339130445 CCNVEZDBHGTATH-LLVKDONJSA-N 463.449 7.525 50 10 JKGE COc1c(Br)cc(C)c([C@H](Br)C[C@H]2CC2(C)C)c1Br 2339640484 ZBECKKLIPMAMJJ-VHSXEESVSA-N 455.028 6.401 50 10 JKGE CO[C@@H]1C[C@]2([C@@H](Br)c3c(C)cc(Br)c(F)c3Br)C[C@H]12 2339681540 JIPQGZJPHZRZBM-FFXZEABUSA-N 456.975 5.520 50 10 JKGE COc1ccc([C@@H](Br)c2ccc(Cl)cc2I)c(F)c1 2340061983 UHFZEFWGNNXQIE-CQSZACIVSA-N 455.492 5.577 50 10 JKGE ClCc1c(Br)cccc1OCc1ccc(Cl)cc1I 2340111674 DIVLCESYQWTFHJ-UHFFFAOYSA-N 471.947 6.025 50 10 JKGE CN(Cc1ccc(Cl)cc1I)C1(CBr)CC(C)(C)C1 2341003287 GTCUOTQBSWXTAK-UHFFFAOYSA-N 456.593 5.330 50 10 JKGE C[C@@H](Br)CC1C[C@@H]2CC[C@H](C1)N2Cc1sccc1I 2341250002 OLHVEIWDYPLJDZ-ODWCKFRGSA-N 454.215 5.269 50 10 JKGE Clc1ccc([C@H](CBr)OCc2cccc(I)c2)cc1 2341611542 KGBXQQPNDSPEHZ-HNNXBMFYSA-N 451.529 5.597 50 10 JKGE CC1=C(C)C[C@@](CBr)(Cc2ccc(I)c(Cl)c2)CC1 2343453416 YADKTWOKNMTGBP-MRXNPFEDSA-N 453.589 6.389 50 10 JKGE CCC1(CC)[C@H](Br)C[C@H]1OCc1cc(I)ccc1Cl 2352246162 HVTVDKFOKQNQLT-ZIAGYGMSSA-N 457.577 5.803 50 10 JKGE FC(F)(F)[C@@H]1C[C@H](Br)CCN1Cc1ccc(Cl)c(I)c1 2362368123 KDAZHYYTAAZHLG-SKDRFNHKSA-N 482.509 5.235 50 10 JKGE CN(CC[C@H](Cl)c1cccs1)C(=O)c1cc(Br)c(Br)s1 2366240979 YVYUWCXFGPRHNT-VIFPVBQESA-N 457.640 5.777 50 10 JKGE Fc1cccc(C[C@@H](CBr)Cc2ccc(Cl)cc2I)c1 2366715593 QYPZXRZJWDCSLW-GFCCVEGCSA-N 467.547 5.880 50 10 JKGE CCOc1ccc(OCC(=O)Oc2ccc(/C=C(/C#N)c3ccc(OC)c(OC)c3)cc2OC)cc1 31902080 NURXPMUNBPCJDU-STZFKDTASA-N 489.524 5.160 50 10 JKGE CCN(CC)S(=O)(=O)c1ccc(C(=O)Oc2cccc(/C=C(/C#N)c3ccc(Cl)cc3)c2)cc1 31903031 SJZOBHDGOVMJPP-JWGURIENSA-N 495.000 5.654 50 10 JKGE Cc1ccc(-c2nnc(SCC(=O)N/N=C\c3ccc(C(C)(C)C)cc3)n2-c2ccccc2)cc1 33089361 ONHRMLFEAXYSFI-MIXAMLLLSA-N 483.641 5.783 50 10 JKGE CCOc1cc(/C=C2/C(=O)N(Cc3ccco3)C(=O)C(C#N)=C2C)ccc1OCc1ccccc1F 38606989 IOFJKJVXYBJNMY-LPYMAVHISA-N 486.499 5.189 50 10 JKGE N#CC1=C(N)Oc2cc(OC(=O)c3ccccc3[N+](=O)[O-])ccc2[C@@H]1c1cccc2ccccc12 38657770 HXCWRLLSGCJSMK-VWLOTQADSA-N 463.449 5.185 50 10 JKGE CCCCCOc1ccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)COc4cccc(C)c4)ccc32)cc1 38685409 MPJTWNWITXXRCU-GDLZYMKVSA-N 498.579 5.767 50 10 JKGE Cc1cc(C)cc(Oc2nc3c(C)cccn3c(=O)c2/C=C(/C#N)C(=O)Nc2ccc(C)c(C)c2)c1 39858786 CCUSPUXCBSDNTP-JCMHNJIXSA-N 478.552 5.575 50 10 JKGE Cc1ccc(C(=O)N/N=C2\CCCc3oc(C(=O)Nc4nc5ccccc5s4)c(C)c32)cc1 40804657 GETPSLVOTWYDIE-MTDXEUNCSA-N 458.543 5.229 50 10 JKGE COc1ccc(/C=N/NC(=O)COc2ccc(Br)cc2C(C)(C)C)cc1Br 40902917 IOAICSYJTQGQHA-FOKLQQMPSA-N 498.215 5.047 50 10 JKGE CCCCNC(=O)/C(C#N)=C/c1ccc(OC(=O)CCCOc2ccc(Cl)cc2Cl)cc1 40989655 MEQQSLHDMANQHT-NBVRZTHBSA-N 475.372 5.581 50 10 JKGE O=C(Cn1cc(/C=N/NC(=O)c2cc3ccccc3o2)c2ccccc21)Nc1ccc(Cl)cc1 59303660 OWMINONAMIBCJK-CCVNUDIWSA-N 470.916 5.444 50 10 JKGE Cc1ccc(NC(=O)/C(C#N)=C\c2cc(Br)ccc2OCc2ccc(C(=O)O)cc2)cc1 59335800 OLFILIZOQFBCIO-NDENLUEZSA-N 491.341 5.580 50 10 JKGE O=C(N/N=C/c1ccc(OCc2ccc(Cl)cc2Cl)cc1)C(c1ccccc1)c1ccccc1 59410651 CTBPMNVAZXIXJJ-FDAWAROLSA-N 489.402 6.855 50 10 JKGE ClCc1nc2cc(I)ccc2n1Cc1cc(Br)cs1 97355201 JKGIUTJQUSYCAG-UHFFFAOYSA-N 467.557 5.252 50 10 JKGE CCCOc1ccc(-c2nn(-c3ccccc3)cc2/C=C(/C#N)C(=O)NCc2ccco2)c(C)c1 102834167 VYBMCYFQGJAUCJ-PGMHBOJBSA-N 466.541 5.453 50 10 JKGE COc1ccc(N/C=C(/C#N)c2nc(-c3ccc(-c4ccccc4)cc3)cs2)c([N+](=O)[O-])c1 102937637 HVUQPOXNTFCQPI-HKWRFOASSA-N 454.511 6.370 50 10 JKGE Fc1cc([C@@H](Br)c2cc3c(cc2Br)OCCO3)ccc1Br 109865359 IORYKUWIMYYLCX-OAHLLOKOSA-N 480.953 5.606 50 10 JKGE Cc1cc(Br)c([C@@H](Br)c2ccc(Br)cc2Cl)s1 114962097 ILMCVPRFLJEBGD-NSHDSACASA-N 459.428 6.719 50 10 JKGE Clc1cc(Br)ccc1[C@@H](Br)c1cc(Cl)c(Br)s1 127512012 UWOMOJSIFQRVSU-SNVBAGLBSA-N 479.846 7.064 50 10 JKGE CC1(C)C[C@@H](N=C=O)C[C@](C)(CNC(=O)N2CCC(c3cc4cc(Cl)ccc4[nH]3)CC2)C1 170290662 POYAGCHNGFNGJU-NLFFAJNJSA-N 457.018 5.631 50 10 JKGE O=[P@](c1ccccc1)(c1ccc(Br)cc1)[C@@H]1OB(c2ccccc2)Oc2ccccc21 195832454 POJGFQSULLRNFK-VVFBEHOQSA-N 489.114 5.266 50 10 JKGE C[C@H]([c-]1[cH-][cH-][cH-][c-]1P(c1ccccc1)c1ccccc1)P(C1CCCCC1)C1CCCCC1 221616263 PRDAXSXVRYBRCH-RUZDIDTESA-N 473.601 8.372 50 10 JKGE COc1ccccc1C[C@@H](Cl)c1cc(Br)ccc1I 234882425 RRHRAGDYTWTKRR-CYBMUJFWSA-N 451.529 5.585 50 10 JKGE COc1c(C)cc([C@@H](Br)c2cc(Br)cc(Br)c2)cc1C 234919277 TZPPQZWFMAKTMD-OAHLLOKOSA-N 463.007 6.321 50 10 JKGE Cc1cc([C@H](Cl)c2cc(Br)ccc2I)c(C)cc1Cl 235879145 IQYUYVKTZDAQDQ-HNNXBMFYSA-N 469.975 6.652 50 10 JKGE Fc1ccccc1C[C@H](Br)c1cc(I)ccc1Br 236181201 BDZVKMYUSTUBAC-ZDUSSCGKSA-N 483.944 5.872 50 10 JKGE Cc1ccc([C@H]2C(C=NNC(=O)c3ccc([N+](=O)[O-])o3)=C(c3ccccc3)Oc3ccccc32)cc1 254711264 LAPDQDCLTYTLDY-AREMUKBSSA-N 479.492 5.848 50 10 JKGE CCOC(=O)c1c(NC(=O)/C(C#N)=C\c2ccc([C@@H]3C[C@H]3c3ccccc3)o2)sc2c1CCCC2 254799739 JRDZYPFABDSMFB-DLMHQBDPSA-N 486.593 6.213 50 10 JKGE CC(=NNC(=O)CSc1nnc(-c2ccc(C)cc2)n1-c1ccccc1)c1ccc2ccccc2c1 254809094 VMVKKTZGZXXQDL-UHFFFAOYSA-N 491.620 6.028 50 10 JKGE Cc1ccc(O[C@H](C)C(=O)NN=Cc2cccc(OCc3ccccc3)c2)c(Br)c1 256017651 YGGVRWNAHCXKAX-GOSISDBHSA-N 467.363 5.254 50 10 JKGE CC(C)(C)OC(=O)N1CCC(CI)(OCC2CCCCCC2)CC1 304215989 QLJRZFVAVYUWKW-UHFFFAOYSA-N 451.389 5.178 50 10 JKGE C[C@H](Cl)c1nc2cc(I)c(F)cc2n1-c1cnn(Cc2ccccc2)c1 389698131 FUEVBVSTMWKFJW-LBPRGKRZSA-N 480.712 5.314 50 10 JKGE Cn1ncc([C@@H](Cl)c2scc(C(F)(F)F)c2Br)c1I 394362501 QASGAVAJUGBAKF-SSDOTTSWSA-N 485.494 5.196 50 10 JKGE Brc1sccc1[C@@H](Br)c1cc(I)cc2c1OCC2 698549041 CVVHWSGHVSLLTA-LLVKDONJSA-N 499.993 5.534 50 10 JKGE CN(Cc1ccccc1)[C@H](Cn1c(CCl)nc2cc(I)c(F)cc21)C1CC1 717998503 SDTUYWLFYNVMDV-HXUWFJFHSA-N 497.783 5.429 50 10 JKGE CCOc1ccc(C=NNC(=O)c2ccc(-n3c(C)ccc3-c3ccccc3)cc2)cc1OC 1083984079 BEFFTWKWOHNDNR-UHFFFAOYSA-N 453.542 5.624 50 10 JKGE N#C/C(=C\c1ccc(OCc2ccc(Cl)cc2)cc1)C(=O)Nc1cccc(Cl)c1Cl 1084198028 WWLPFCYLTQQTFV-SFQUDFHCSA-N 457.744 6.771 50 10 JKGE COc1cc(C=NNC(=O)CC[C@H](O)c2ccccc2)cc(Cl)c1OCc1ccc(Cl)cc1 1084562021 ZTBOZXRERYRFOI-QFIPXVFZSA-N 487.383 5.545 50 10 JKGE Cc1ccc(COc2ccc(Br)cc2C=NNC(=O)CC[C@@H](O)c2ccccc2)cc1 1084632390 XJXQSFOSYUWHHH-HSZRJFAPSA-N 481.390 5.300 50 10 JKGE COc1ccc(/C(C#N)=C/c2ccc(OC(=O)/C=C/c3ccc(F)cc3)c(OC)c2)cc1OC 1615066012 FZKGAKYLJHSKQE-CKPCLRFGSA-N 459.473 5.534 50 10 JKGE CCc1nn(Cc2ccccc2)c2c1[C@@H](c1ccc(OCc3ccc(Cl)cc3)cc1)C(C#N)=C(N)O2 1865694767 AZMSJXNSNDUWSX-SANMLTNESA-N 496.998 5.944 50 10 JKGE CCCc1nn(Cc2ccc(F)cc2)c2c1[C@H](c1cc(Br)ccc1F)C(C#N)=C(N)O2 1865702171 ORQYBYYJVXDZPN-HXUWFJFHSA-N 485.332 5.143 50 10 JKGE CCc1nn(Cc2ccccc2F)c2c1[C@H](c1ccc(OCc3ccccc3C)cc1)C(C#N)=C(N)O2 1865703152 OEYYMGOGFLBSSD-HHHXNRCGSA-N 494.570 5.739 50 10 JKGE CCCc1nn(Cc2ccc(F)cc2)c2c1[C@H](c1ccc(C(F)(F)F)cc1)C(C#N)=C(N)O2 1865711217 SKPWLLCXHNSATQ-HXUWFJFHSA-N 456.443 5.260 50 10 JKGE Cc1ccc([C@@H](CC(=O)N[C@@H](Cc2ccccc2)C(=O)Nc2ccc(SC#N)cc2)C(C)C)cc1 1866732843 IFKVGICICYLFMY-SVBPBHIXSA-N 485.653 6.064 50 10 JKGE Cc1ccc(-c2nc3cc(C(=O)N[C@H](C)C(=O)Nc4ccc(SC#N)cc4)ccc3o2)cc1 1866871540 CDIAPASJCUTXOS-MRXNPFEDSA-N 456.527 5.133 50 10 JKGE CCCC[C@@H](NC(=O)[C@H](c1ccc(Cl)cc1)C1CC1)C(=O)Nc1ccc(SC#N)cc1 1867002492 SKHSJBHFYCWLNQ-YADHBBJMSA-N 456.011 5.720 50 10 JKGE CN(CC(C)(C)c1ccccc1)c1cc(Nc2ccc(SC#N)cc2)nc(-c2ccc(F)cc2)n1 1868456604 RWUXERFKXRFHAK-UHFFFAOYSA-N 483.616 7.013 50 10 JKGE CCCOc1ccc(-c2csc(/C(C#N)=C(\O)c3ccc4c(c3)C(=O)N([C@H](C)CC)C4=O)n2)cc1 1872749377 OONDINPQEBTCCZ-RNKPHZFSSA-N 487.581 5.943 50 10 JKGE Cc1c([N+](=O)[O-])cc(/C(O)=C(\C#N)c2nc(-c3ccc(C(C)(C)C)cc3)cs2)cc1[N+](=O)[O-] 1872750871 NQZBNMAHYUHTIT-FXBPSFAMSA-N 464.503 6.182 50 10 JKGE CCOc1ccc(-c2csc(/C(C#N)=C(\O)Cc3ccc(OC)c(OC)c3)n2)c(OCC)c1 1872755541 SEGYCKHABAMDSD-VZCXRCSSSA-N 466.559 5.660 50 10 JKGE COc1cc(OC)c(-c2csc(/C(C#N)=C(\O)c3ccc(OCC(C)C)cc3)n2)cc1Cl 1872756381 JMWQOFDVRNXJSS-NKFKGCMQSA-N 470.978 6.465 50 10 JKGE COc1cc(/C=C(\C#N)c2nc(-c3ccccc3)cs2)cc(Br)c1OC(C)C 1872789985 CNXFNBVIUVAULW-RQZCQDPDSA-N 455.377 6.433 50 10 JKGE COc1cc(/C=C(\C#N)c2nc(-c3ccc(C)cc3C)cs2)ccc1OCc1ccc(C)cc1 1872790483 LNIJGXIRVZFNKM-ZVHZXABRSA-N 466.606 7.387 50 10 JKGE Cc1c(Br)sc([C@@H](Br)C2C3CC4CC(C3)CC2C4)c1Br 1922882742 NDKVFESLOKUGTC-UFZLCZLGSA-N 483.107 7.090 50 10 JKGE Cc1c(Br)sc([C@H](Br)[C@@H]2C[C@@H]3C[C@@H]3C[C@@H]2C)c1Br 1922931147 ZPTNKEZQDXGWTD-SKECAWGUSA-N 457.069 6.700 50 10 JKGE C[C@@H]1CCC[C@H]([C@H](Br)c2c(Br)sc(Br)c2Cl)C1 1923074268 JHOHOTRYNDWRDO-FJXKBIBVSA-N 465.476 7.189 50 10 JKGE C[C@]1([C@H](Cl)c2c(Br)sc(Br)c2Br)CCCO1 1924579327 DBBWSMBBSZQLTP-GMSGAONNSA-N 453.421 5.885 50 10 JKGE CCc1occc1[C@@H](Cl)c1c(Br)sc(Br)c1Br 1924583388 JHIIMIOVIQTIMT-SECBINFHSA-N 463.416 6.519 50 10 JKGE Clc1ccc(Br)cc1[C@H](Br)Cc1ncccc1Br 1924860173 DGSDWMZZDGFPBD-LLVKDONJSA-N 454.387 5.939 50 10 JKGE Cc1sc(Br)c([C@@H](Cl)c2cc(Br)c(Br)s2)c1C 1951014755 OLZBPJWHXNUHQM-VIFPVBQESA-N 479.484 7.042 50 10 JKGE CC[C@@H](Br)CN(Cc1ccccc1)Cc1cc(Cl)c(C)c(Br)c1 1979764700 WJITYDFQUWDZRF-QGZVFWFLSA-N 459.653 6.587 50 10 JKGE Clc1cc([C@@H](Br)c2sncc2Br)c(Cl)c(Cl)c1Cl 2028534084 YGBQDXQFGSYPGR-ZCFIWIBFSA-N 470.828 7.004 50 10 JKGE COCc1ccccc1[C@@H](Br)c1sc(Br)cc1Br 2071270084 JGORRKVHBVWUHS-GFCCVEGCSA-N 455.009 5.904 50 10 JKGE Cc1c(Br)ccc([C@H](Cl)c2cn(C)nc2Br)c1Br 2083322254 SYQLUJMJFMNNON-NSHDSACASA-N 457.391 5.344 50 10 JKGE Cc1c(Br)ccc([C@@H](Br)COCC(F)(F)F)c1Br 2083337178 HIGNHQAHRLTNJD-VIFPVBQESA-N 454.906 5.535 50 10 JKGE CC1(C)C[C@@H]1CCCOc1c(Br)cc(Br)cc1CBr 2088158873 UXPMSPUDGVGPSK-NSHDSACASA-N 455.028 6.312 50 10 JKGE CC1(C)CN(Cc2ccccc2)CCN(c2cc(Br)cc(F)c2CBr)C1 2114263698 CCYQXYIWEUKIRA-UHFFFAOYSA-N 484.251 5.832 50 10 JKGE FC1(F)CCC[C@@H]2[C@H]([C@@H](Br)c3c(Cl)sc(Br)c3Cl)[C@H]21 2114390838 CDTSJXOUTOKJHK-HETMPLHPSA-N 454.989 6.935 50 10 JKGE Cl[C@H](CCc1cc(Br)ccc1Br)c1cccc(Br)c1 2118529622 DEWUABDWJHFCPC-OAHLLOKOSA-N 467.426 6.887 50 10 JKGE Clc1nc(Cl)n([C@@H]2CN(Cc3ccccc3)[C@@]3(CCCOC3)C2)c1CBr 2118820830 NQNWHHDBOZPEPP-KXBFYZLASA-N 459.215 5.081 50 10 JKGE CN(c1ccc(CBr)cc1Br)[C@@H]1C[C@@H]2C[C@@H](OCc3ccccc3)C[C@H]21 2134012586 CQXXITDOJQNBMR-JZJXAQOMSA-N 479.256 6.164 50 10 JKGE Cc1c(Br)ccc([C@@H](Br)c2cc(F)cc(F)c2)c1Br 2138851276 JXIDSAPSCRUVRC-AWEZNQCLSA-N 454.934 6.283 50 10 JKGE Cc1c(Br)ccc([C@@H](Br)[C@H]2CC[C@H]3C[C@H]2CO3)c1Br 2138861497 GYBIHXCRVVGWAC-VEABSNGSSA-N 453.012 5.771 50 10 JKGE Fc1cc(F)c([C@@H](Br)c2ccc(Br)cc2Br)cc1Cl 2138869659 BVXITNUDNPMLDT-ZDUSSCGKSA-N 475.352 6.628 50 10 JKGE COc1cc(Br)c(C)cc1[C@@H](Br)Cc1cccc(Br)c1 2145962730 NHRCHDDUPCBOKY-HNNXBMFYSA-N 463.007 6.207 50 10 JKGE CC1(C)C[C@H](CCOc2c(Br)cc(CBr)cc2Br)CO1 2159291528 QODUYLQQKHOSNQ-JTQLQIEISA-N 471.027 5.691 50 10 JKGE O=C(NC[C@@H]1CCCC[C@H](Br)C1)c1c(Br)cccc1Br 2163738038 SADGSMNWAUBBNP-MNOVXSKESA-N 468.027 5.285 50 10 JKGE O=C(c1csc(Br)c1Br)N1CCC[C@@H]2CC[C@@H](Br)C[C@H]21 2167006215 VCMPHLCIJFJYRQ-FXPVBKGRSA-N 486.067 5.441 50 10 JKGE O=C(NCC[C@@H]1CCCC[C@@H]1Br)c1cccc(Br)c1Br 2179628713 FXZUDAQZYXYRES-JQWIXIFHSA-N 468.027 5.285 50 10 JKGE Cc1c(CBr)cc(Cl)cc1S(=O)(=O)N(Cc1ccccc1)[C@H](C)C(C)(C)C 2179861222 DTKPYAQDCQKYJS-MRXNPFEDSA-N 472.876 6.169 50 10 JKGE C[C@H]1C[C@H](n2c(CCl)nc3cc(Cl)c(Br)cc32)CN(Cc2ccccc2)C1 2184260215 IKVOSYSGTIVRMR-HOCLYGCPSA-N 467.238 6.274 50 10 JKGE CC(C)(C)CC1CC(O[C@H](CI)c2ccccc2Br)C1 2188310308 ZYAWPNDEUIYIFJ-SEEARECTSA-N 451.186 6.157 50 10 JKGE COc1cc(Br)c(C(=O)N(Cc2ccccc2)C2(CBr)CCC2)cc1OC 2189042034 DYFYHHYGMZNZIP-UHFFFAOYSA-N 497.227 5.426 50 10 JKGE COc1cccc([C@H](Br)CCc2ccc(I)c(Cl)c2)c1 2208034757 ZGDYQSKHPDXJBY-CQSZACIVSA-N 465.556 6.022 50 10 JKGE Clc1cc(Br)c([C@@H](Cl)c2csc(Br)c2)c(Cl)c1Cl 2217613231 MHJMVFSREWWSRX-VIFPVBQESA-N 469.840 7.562 50 10 JKGE COc1sc([C@H](Br)c2sc(C)c(Br)c2C)cc1Br 2218965063 MTMHTEDRLHILCT-JTQLQIEISA-N 475.065 6.444 50 10 JKGE Cc1ccc(I)c([C@H](Br)c2c(Cl)sc(Cl)c2Cl)c1 2224055635 RGUNEKRPPHKAKQ-VIFPVBQESA-N 496.422 7.106 50 10 JKGE Cc1ccc(I)c([C@H](Br)Cc2ccc(Cl)c(Cl)c2)c1 2232184661 VNHZNDIBIXSNKQ-GFCCVEGCSA-N 469.975 6.585 50 10 JKGE Fc1cc(Br)c(Br)cc1[C@H](Br)c1cc2ccccc2s1 2233977035 SIFXTOKADNPDQJ-HNNXBMFYSA-N 479.006 7.050 50 10 JKGE Cc1cc(Br)c([C@@H](Cl)c2c(Br)nn(C)c2C)c(C)c1Br 2235607837 HFZRAVYVNBXHTK-CYBMUJFWSA-N 485.445 5.961 50 10 JKGE Cc1cc(Br)c([C@@H](Br)[C@H]2C[C@@H]3CCC[C@@H]3C2)c(C)c1Br 2235608271 IWBSIDNIMKRTOJ-LKQDWFRTSA-N 465.067 7.091 50 10 JKGE Cc1cc(Br)c([C@@H](Br)C[C@@H]2CC(C)(C)CO2)c(C)c1Br 2235614748 LBOZXGMBDXOQBL-YPMHNXCESA-N 469.055 6.470 50 10 JKGE O=C(Nc1ccccc1CCBr)c1ccc(I)c(Cl)c1 2238841325 HZWSZPLXOAYSGB-UHFFFAOYSA-N 464.528 5.134 50 10 JKGE CCc1cc([C@H](Br)c2cccc(Br)c2Cl)sc1Br 2256049992 AGCXZRWVBWFTLB-LLVKDONJSA-N 473.455 6.973 50 10 JKGE C[C@H]1C[C@H]1CCCCOc1c(Br)cc(CBr)cc1Br 2265722427 DMXWWCLNGGGPMO-CMPLNLGQSA-N 455.028 6.312 50 10 JKGE BrCc1cc(Br)cc(Br)c1OC[C@@]12CCC[C@H]1CC2 2273400713 LQPFEPIGBLDVML-NHYWBVRUSA-N 453.012 6.066 50 10 JKGE Cc1cc(Br)ccc1[C@@H](Br)c1cc2sc(Br)cc2s1 2278024967 UQLQYXMUTNIMKM-CQSZACIVSA-N 481.072 7.281 50 10 JKGE Fc1cccc(I)c1[C@H](Cl)c1cc2c(cc1Br)OCC2 2282892197 BBUBRXOCCFAFHX-OAHLLOKOSA-N 467.503 5.456 50 10 JKGE COc1ccc([C@H](Br)c2cc3sccc3s2)c(Br)c1Cl 2283564941 XHSRRJFJTOVTMH-LBPRGKRZSA-N 452.620 6.872 50 10 JKGE COc1ccc([C@@H](Br)C2(C)CC(C(F)(F)F)C2)cc1I 2284995402 AGUWOSKQIVUGEL-BKDHPRRPSA-N 463.075 5.714 50 10 JKGE N#CC(=Cc1ccc(-c2ccc(Cl)c([N+](=O)[O-])c2)o1)C(=O)NCCc1c[nH]c2ccccc12 2294175249 LHAOIUZWGKCMJD-UHFFFAOYSA-N 460.877 5.255 50 10 JKGE FC(F)(F)[C@@H]1CCC[C@@H]1[C@H](Br)Cc1cc(Br)cc(Br)c1 2295330243 SQSOLWWKMUXLCM-YNEHKIRRSA-N 478.972 6.496 50 10 JKGE CCCCOc1ccc(C=C(C#N)C(=O)Nc2sc(C)c(C)c2C(=O)OCC)cc1OC 2296818192 XTSLVRTYCJBEMF-UHFFFAOYSA-N 456.564 5.275 50 10 JKGE CO[C@@H]1C[C@H]1[C@H](Br)c1c(Cl)cc(Br)c(F)c1Br 2300174346 PFTQULKONKRVET-MSVFPHSYSA-N 451.355 5.475 50 10 JKGE CC(C)C[C@@H](CBr)CSc1cc(I)ccc1Br 2308052489 AKQWHAFFQNSAET-JTQLQIEISA-N 492.058 6.203 50 10 JKGE CCOc1cc(C=C(C#N)C(=O)N2CCN(c3ccccc3)CC2)ccc1OCc1ccccc1F 2313568755 YGIJMLJVODZRAA-UHFFFAOYSA-N 485.559 5.059 50 10 JKGE N#CC(=Cc1ccc(OCc2ccc(Cl)cc2)cc1)C(=O)Nc1cc(Cl)ccc1Cl 2313631323 NXHGZVZSABJQEY-UHFFFAOYSA-N 457.744 6.771 50 10 JKGE Cc1ccc(C)c(NC(=O)C(C#N)=Cc2cc(Br)ccc2OCc2ccc(F)cc2)c1 2313666989 AFLLWHPBUYTPMB-UHFFFAOYSA-N 479.349 6.330 50 10 JKGE COc1cc(C=C(C#N)C(=O)Nc2cccc(Cl)c2C)cc(Br)c1OC(C)C 2313681098 HMWATHNTNXXHSU-UHFFFAOYSA-N 463.759 5.752 50 10 JKGE CCc1ccccc1NC(=O)C(C#N)=Cc1ccccc1OCc1ccc(Cl)c(Cl)c1 2313738584 IEYYUQDAOAJOCN-UHFFFAOYSA-N 451.353 6.680 50 10 JKGE Brc1cc(OCc2ccccc2)ccc1[C@H](Br)[C@H]1COC2(CCC2)C1 2314442376 FPBXPYUNMQWLBT-OXQOHEQNSA-N 466.213 6.423 50 10 JKGE CCOC(=O)C(C#N)=Cc1cn(-c2ccccc2)nc1-c1cccc(OCc2ccc(F)cc2)c1 2314478736 TZYCIVJGIPCOOL-UHFFFAOYSA-N 467.500 5.727 50 10 JKGE Brc1cc(OCc2ccccc2)ccc1[C@H](Br)[C@@H]1OC[C@H]2CCC[C@H]21 2314502892 MZJGFFYMYLWURQ-XCBAANBCSA-N 466.213 6.279 50 10 JKGE Cc1ccc(N2C(=O)[C@@H](Cc3ccccc3Cl)SC2=C(C#N)C(=O)NCc2ccco2)cc1C 2314593697 RHQBRWXZZJENAW-HSZRJFAPSA-N 492.000 5.293 50 10 JKGE CC1=C(C#N)C(=O)N(C)C(=O)C1=Cc1cn(-c2ccccc2)nc1-c1ccc(OCC(C)C)cc1C 2314617711 VRIOEUGIVYQPPW-UHFFFAOYSA-N 480.568 5.105 50 10 JKGE CCCCCCCCOc1ccc(C=C2C(=O)N(C[C@@H]3CCCO3)C(=O)C(C#N)=C2C)cc1OC 2314618494 ONCCDLLRZAWUKL-QFIPXVFZSA-N 480.605 5.206 50 10 JKGE N#CC1=C(N)Oc2cc(OC(=O)C=Cc3ccc(Cl)cc3)ccc2[C@H]1c1ccc(Cl)cc1 2314634096 LOMAMSRZUQSCBZ-XMMPIXPASA-N 463.320 5.830 50 10 JKGE CCCOc1cccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)C=Cc4ccc(C)cc4)ccc32)c1 2314634827 RKWSKYQVLUHUFS-MUUNZHRXSA-N 466.537 5.621 50 10 JKGE Brc1cc(Br)c([C@H](Br)[C@H]2C[C@H]3CCC[C@H]2CC3)s1 2316789646 FBIKUEOQYSOTHE-AVWBDOJWSA-N 457.069 6.926 50 10 JKGE Clc1ccc([C@@H](Br)Cc2ccncc2Cl)c(I)c1 2317745769 WABNQZZPVJLPPA-NSHDSACASA-N 456.936 5.672 50 10 JKGE CCOC(=O)c1c(-c2ccc(OC)cc2)csc1NC(=O)C(C#N)=Cc1ccc(Cl)cc1 2329655754 RFEJXUIBHFABBK-UHFFFAOYSA-N 466.946 5.799 50 10 JKGE CCCCCCCCCOc1ccc(C=C(C#N)S(=O)(=O)c2ccc(Cl)cc2)cc1Cl 2331030539 FDXRCCBVKJWGGR-UHFFFAOYSA-N 480.457 7.461 50 10 JKGE COc1cc2nc(C(C#N)=Cc3cccc(OC)c3OCc3ccccc3F)nc(O)c2cc1OC 2331042560 MZDYLFZKNALBCR-UHFFFAOYSA-N 487.487 5.143 50 10 JKGE CC(C)N1C(=O)c2ccc(C(O)=C(C#N)c3nc(-c4ccc(F)cc4F)cs3)cc2C1=O 2331286874 TZANAZBZVIIVFQ-UHFFFAOYSA-N 451.454 5.043 50 10 JKGE CCc1cccc(C)c1N1C[C@@H](C(O)=C(C#N)c2nc(-c3cccc(Cl)c3)cs2)CC1=O 2331294057 LCAREJRPUBGMMZ-SFHVURJKSA-N 463.990 6.180 50 10 JKGE CCCCOc1ccc(C(O)=C(C#N)c2nc(-c3ccc(OC)c(F)c3)cs2)cc1OCC 2331336209 UBXGCOPWRWMYCK-UHFFFAOYSA-N 468.550 6.485 50 10 JKGE CCOc1ccc(C=CC(O)=C(C#N)c2nc(-c3cc(OC)c(Cl)cc3OC)cs2)cc1OC 2331376826 AKNTVIUTTNHGGS-UHFFFAOYSA-N 498.988 6.394 50 10 JKGE Cc1ccc(C(C)(C)C)cc1-c1csc(C(C#N)=C(O)[C@@H]2CC(=O)N([C@H](C)c3ccccc3)C2)n1 2331396322 LPROOTFOEZQQEM-TZIWHRDSSA-N 485.653 6.818 50 10 JKGE CCCc1ccc(OCC(O)=C(C#N)c2nc(-c3ccc(OC)c(OC)c3OC)cs2)cc1 2331412793 ICVQMLKNMIEJAQ-UHFFFAOYSA-N 466.559 5.660 50 10 JKGE COc1ccc(-c2csc(C(C#N)=C(O)CCc3ccc(Cl)cc3)n2)c(OC)c1OC 2331414030 ZUCXWKULWSYVND-UHFFFAOYSA-N 456.951 5.915 50 10 JKGE CCOc1cc(C=C(C#N)c2nc(-c3ccc4c(c3)OCO4)cs2)ccc1OCc1ccccc1 2331453791 KLLLYSJXAIKARX-UHFFFAOYSA-N 482.561 6.581 50 10 JKGE N#CC(=Cc1c(OCc2ccccc2)ccc2ccccc12)c1nc(-c2ccc(Cl)s2)cs1 2331484992 IGTJPUVQTOMAAI-UHFFFAOYSA-N 485.033 8.321 50 10 JKGE Fc1cc(Br)c(Br)cc1[C@@H](Br)[C@@H]1CCC[C@H]1C(F)F 2334500723 KSVQUAGLOCVIPI-QHMRUWFYSA-N 464.945 6.468 50 10 JKGE Cl[C@H](c1cc2c(s1)CCSC2)c1cc(Br)ccc1OCc1ccccc1 2336050617 LWTHNYZPRKNHKT-NRFANRHFSA-N 465.865 7.207 50 10 JKGE COc1cccc(F)c1[C@H](Br)c1ccc(OCc2ccccc2)cc1Br 2336051427 RQGVICLIQVMFAV-OAQYLSRUSA-N 480.171 6.660 50 10 JKGE CCC1(CC)[C@@H](Oc2cc(Cl)c(C)cc2I)C[C@H]1Br 2336544098 RBIPPAYZLLPZMK-KGLIPLIRSA-N 457.577 5.974 50 10 JKGE Cc1cc(Br)c(F)c(Br)c1[C@H](Br)CC[C@@H]1CCCO1 2339647272 ZHHYDROFWVQZRG-VHSXEESVSA-N 458.991 6.054 50 10 JKGE COc1c(Br)cc(C)c([C@@H](Br)CC[C@@H]2C[C@H]2C)c1Br 2339680234 UUZDCXSFVXWTJY-IEBDPFPHSA-N 455.028 6.401 50 10 JKGE FC1(F)C2(CC2)C12CC([C@@H](Cl)c1cc(Br)ccc1OCc1ccccc1)C2 2361170593 FDLICNSTGTWBGE-QOSBUDKSSA-N 453.754 7.134 50 10 JKGE Fc1c(Br)cc(Cl)c([C@H](Cl)[C@@H]2CC[C@@H]2C(F)(F)F)c1Br 2362237568 SHXYNWLMKOFGMV-MIBFAWTQSA-N 458.902 6.873 50 10 JKGE CC[C@]1([C@@H](Br)c2c(C)cc(Br)c(OC)c2Br)CCCO1 2365183118 GNMGKMCUVKUCRG-LSDHHAIUSA-N 471.027 5.924 50 10 JKGE COc1c(Br)cc(C)c([C@H](Br)CCC2CCCC2)c1Br 2365233702 VEQCDEGHINNSIT-GFCCVEGCSA-N 469.055 6.935 50 10 JKGE COCc1ccc(COc2c(Br)cc(Br)cc2CBr)s1 2368260879 DEKLQKFDRMUIKV-UHFFFAOYSA-N 485.035 5.893 50 10 JKGE CC(C)(C)[C@@H]1CC[C@H]1CO[C@H](CI)c1ccc(Br)cc1 2369176017 PHAIQMXTAMWDTL-NUEKZKHPSA-N 451.186 6.014 50 10 JKGE Clc1cc([C@H](Br)c2cc3c(cc2Br)OCCC3)sc1Cl 2369617898 FJEJDYXNKFWOBX-CYBMUJFWSA-N 457.014 6.627 50 10 JKGE ClCc1nc2cncc(Br)c2n1Cc1sc(Cl)cc1Br 2369942265 SZVGIODUVWNXRJ-UHFFFAOYSA-N 455.990 5.458 50 10 JKGE FC(F)(F)[C@@H]1[C@@H](Br)CCCN1Cc1cccc(Br)c1Br 2370292134 NSBZDAMTIKJPJV-JQWIXIFHSA-N 479.960 5.502 50 10 JKGE O=C(NC1CCCCC1)[C@@H](c1cccc(Br)c1)N(Cc1ccccc1)C(=O)CCl 3040216 XNUFFQSUPPZIPQ-JOCHJYFZSA-N 477.830 5.207 50 10 JKGE CCCCCCOc1ccc(C(=O)NNC(=O)[C@@H](C)Oc2ccc(Cl)cc2Cl)cc1 14025433 ZRRXMYXRFGEOBN-OAHLLOKOSA-N 453.366 5.181 50 10 JKGE COc1ccc(/C=N/NC(=O)[C@H]2[C@H](C=C(Cl)Cl)C2(C)C)cc1CN1CCCc2ccccc21 20615925 WHQVLYOUPIKJII-OKYIYNPZSA-N 486.443 5.689 50 10 JKGE COc1cccc2cc(-c3nn(-c4ccccc4)cc3/C=C(\C#N)C(=O)NC3CCCC3)oc12 33515877 QHFXUTJIOQAGQF-XMHGGMMESA-N 452.514 5.260 50 10 JKGE CCOc1cc(/C=C(\C#N)c2nc(O)c3ccccc3n2)ccc1OCC(=O)Nc1cccc(C)c1 34988310 KDSYSVLVCWNQAL-XSFVSMFZSA-N 480.524 5.124 50 10 JKGE C=CCOc1ccc(C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@@H]3c2ccccc2OCCCC)cc1 38682899 FUYKGEIEBAQUEO-MUUNZHRXSA-N 496.563 5.868 50 10 JKGE N#CC1=C(N)Oc2cc(OC(=O)c3sc4ccccc4c3Cl)ccc2[C@H]1c1cccs1 38688354 GGWLDIGZCQIDDD-LJQANCHMSA-N 464.955 6.054 50 10 JKGE Cc1c(C(=O)Nc2ccccc2C(F)(F)F)oc2c1/C(=N/NC(=O)c1ccc(O)cc1)CCC2 40812040 YBDHWVBONCSUGF-RDRPBHBLSA-N 471.435 5.035 50 10 JKGE Cc1c(C(=O)Nc2cccc(Cl)c2Cl)oc2c1/C(=N/NC(=O)Cc1ccccc1)CCC2 40815808 SUWGBWQGZNBJEA-OGLMXYFKSA-N 470.356 5.546 50 10 JKGE COc1cc(/C=C(\C#N)c2ccccc2)ccc1OC(=O)[C@@H](CC(C)C)N1C(=O)c2ccccc2C1=O 40851140 MAFUBNZNYBIMSE-UQTDQPHJSA-N 494.547 5.376 50 10 JKGE O=C(CC[C@@H](O)c1ccccc1)N/N=C\c1cn(Cc2ccc3ccccc3c2)c2ccccc12 58891316 JRZIHYQKRKVMTO-FGZKMHPOSA-N 461.565 5.807 50 10 JKGE Cc1ccccc1SCC(=O)N/N=C1\C(=O)N(Cc2cccc3ccccc23)c2ccccc21 59166513 HQMLHSMUOYBIQX-IKPAITLHSA-N 465.578 5.308 50 10 JKGE COc1cccc(C[C@H](Br)c2cc(Br)sc2Br)c1 109870101 CZAUOERXSCJJOK-NSHDSACASA-N 455.009 5.960 50 10 JKGE COc1cc([C@@H](Br)c2ccc(Br)c(C)c2)c(OC)cc1Br 134298098 XPPQTAOWIZMBJN-INIZCTEOSA-N 479.006 6.022 50 10 JKGE COc1cc(Cl)c([C@@H](Br)c2cc(Br)ccc2Br)cc1OC 161090385 SKFJGRKTZGSJEX-HNNXBMFYSA-N 499.424 6.367 50 10 JKGE COc1cccc(CN(C(=O)CCl)[C@H](C(=O)N[C@@H]2CCCC[C@@H]2C)c2ccccc2Cl)c1 169691520 PHUKFUBRFYSRPA-YJGRUCBDSA-N 477.432 5.352 50 10 JKGE CCOc1cc(/C=N\NC(=O)c2c(C)ccc3ccccc23)cc(Br)c1OCC 169921684 DQLUJTPZRBIDML-QFEZKATASA-N 455.352 5.472 50 10 JKGE Clc1sc([C@H](Br)c2sccc2Br)cc1Br 227844929 KFSQWNVHPUBYJB-ZETCQYMHSA-N 451.430 6.472 50 10 JKGE Fc1c([C@@H](Br)c2cc(Br)c(Cl)s2)cccc1C(F)(F)F 227847998 JRMJZYZKMXTWIP-SECBINFHSA-N 452.492 6.806 50 10 JKGE CCO[C@H]1[C@@H](Oc2c(Br)cc(Br)cc2Br)C[C@H]1Cl 229346930 FGJKAQBOHULEMO-JFGNBEQYSA-N 463.391 5.138 50 10 JKGE CCOc1ccc([C@H](Br)c2cc(Cl)ccc2Br)c(Br)c1 233790605 NUNNMJXCJDYCIM-HNNXBMFYSA-N 483.425 6.748 50 10 JKGE COc1ccc(Br)cc1[C@H](Cl)c1cc(Br)cc(Br)c1 234817054 ARFSKCVBTROZKN-CQSZACIVSA-N 469.398 6.311 50 10 JKGE COc1ccc([C@@H](Br)c2cc(Br)cc(Br)c2)c(F)c1 234970918 LOZSIDQBWDGQNE-AWEZNQCLSA-N 452.943 5.844 50 10 JKGE Cc1nc(COc2c(Br)cc(CBr)cc2Br)cs1 235953792 MVYYKCNEKPBRJC-UHFFFAOYSA-N 455.997 5.450 50 10 JKGE CC(C)CCC[C@H](C)[C@@H]1CC[C@H]2[C@H]1[C@@H](C)C[C@@H]1[C@H]2CC=C2C[C@H](SC(=O)Cl)CC[C@@]21C 253534605 RVIFINDCMXZRRC-XOHYPQEVSA-N 465.187 9.344 50 10 JKGE CCCCCCCCCCCC(=O)NN=Cc1ccc(OC(=O)c2ccc(OCCC)cc2)cc1 254294401 YPJLBXYGGJQZQJ-UHFFFAOYSA-N 480.649 7.066 50 10 JKGE CC(=NNC(=O)c1ccoc1C)c1cccc(NC(=O)[C@@H](C)Oc2ccc(C)cc2Cl)c1 254815774 DULFPJZDMCTTQX-QGZVFWFLSA-N 453.926 5.110 50 10 JKGE CC1(CC(CBr)(CBr)c2ccccc2Br)CCCC1 311984747 PAGSSIDYWDQHGU-UHFFFAOYSA-N 453.056 6.447 50 10 JKGE O=C(CCCN(Cc1ccccc1)Cc1ccccc1)Nc1cccc(-c2nc(CCl)cs2)c1 312107405 YNISARPNENNJGP-UHFFFAOYSA-N 490.072 6.970 50 10 JKGE C[C@@H](Cl)c1nc2ccccc2n1-c1cc(I)ccc1Br 312656940 VTYDKTUTJXXAJU-SECBINFHSA-N 461.528 5.692 50 10 JKGE FC(F)(F)c1csc([C@@H](Br)c2c(Cl)cccc2Cl)c1Br 380086846 CEBMOOWMEIHHQX-JTQLQIEISA-N 468.947 7.321 50 10 JKGE Fc1cc2c(cc1I)nc(CCl)n2CC[C@H]1CCN(Cc2ccccc2)C1 723941658 XBXGZVQIUQDYFS-MRXNPFEDSA-N 497.783 5.431 50 10 JKGE O=C(NN=Cc1ccc(OCc2ccc(F)cc2)o1)c1cccc(NC(=O)c2ccc(F)cc2)c1 1083971951 VWLABQUOOMUSPZ-UHFFFAOYSA-N 475.451 5.153 50 10 JKGE N#C/C(=C\c1cc(Br)c(Sc2ccc(Cl)cc2)o1)C(=O)Nc1ccc(Cl)cc1 1083990615 WTTRNHMSUBXARS-FMIVXFBMSA-N 494.197 7.046 50 10 JKGE CCOc1cc(C=NNC(=O)c2cccc(Cl)c2)ccc1OCc1ccc(Cl)cc1Cl 1084120447 DCORMXFZGAHTBF-UHFFFAOYSA-N 477.775 6.388 50 10 JKGE COc1cccc(/C=C(/C#N)C(=O)Nc2ccc(Cl)c(Cl)c2)c1OCc1ccccc1 1084419705 CCHIRIXRNPQHCS-PDGQHHTCSA-N 453.325 6.127 50 10 JKGE N#CC1=NN(c2ccc(Cl)cc2)[C@@H](c2ccccc2)C2=C1OC(N)=C(C#N)[C@@H]2c1ccccc1 1088670229 QBWALGKCKNWJBH-ZCYQVOJMSA-N 463.928 5.543 50 10 JKGE Cc1ccc(NC(=O)[C@H](C)Oc2cccnc2NC(=O)Nc2ccc(SC#N)cc2)cc1Cl 1858841579 LVLBQLVCXVTIDE-HNNXBMFYSA-N 481.965 5.667 50 10 JKGE CCc1nn(Cc2c(F)cccc2Cl)c2c1[C@@H](c1cccc3ccccc13)C(C#N)=C(N)O2 1865682419 NYWUJTAGKRDYQE-QHCPKHFHSA-N 458.924 5.658 50 10 JKGE COc1ccc(-c2nn(Cc3cccc(F)c3)c3c2[C@H](c2ccccc2F)C(C#N)=C(N)O3)cc1 1865684166 VIXLXRGCEDACPS-HSZRJFAPSA-N 470.479 5.103 50 10 JKGE CCCc1nn(Cc2ccc(C)cc2)c2c1[C@@H](c1ccc(Cl)c(Cl)c1)C(C#N)=C(N)O2 1865685919 PBNJIEKZMNFNIA-NRFANRHFSA-N 453.373 5.717 50 10 JKGE CCc1nn(Cc2ccccc2)c2c1[C@@H](c1ccc(OCc3ccccc3)c(OC)c1)C(C#N)=C(N)O2 1865687621 WCAIJOXVNWHOSG-MHZLTWQESA-N 492.579 5.300 50 10 JKGE CCCCCOc1ccc([C@@H]2C(C#N)=C(N)Oc3c2c(-c2ccccc2)nn3-c2ccccc2)cc1 1865690632 XPPMXXYRBZBTKP-AREMUKBSSA-N 476.580 6.326 50 10 JKGE C=CCOc1ccccc1[C@@H]1C(C#N)=C(N)Oc2c1c(CCC)nn2Cc1ccc(Cl)c(Cl)c1 1865690846 CNHMVJLMUSCWRT-HSZRJFAPSA-N 495.410 5.974 50 10 JKGE CCOc1ccc([C@H]2C(C#N)=C(N)Oc3c2c(-c2ccccc2)nn3Cc2cc(C)ccc2C)cc1 1865692494 BVIRJJXVBMLNPO-SANMLTNESA-N 476.580 5.832 50 10 JKGE CCCc1nn(-c2ccccc2)c2c1[C@H](c1ccc(OCc3ccccc3Cl)cc1)C(C#N)=C(N)O2 1865703866 HOJADBUTYBRWMB-AREMUKBSSA-N 496.998 6.275 50 10 JKGE CCc1ccc([C@H]2C(C#N)=C(N)Oc3c2c(-c2ccccc2)nn3Cc2cc(C)ccc2C)cc1 1865708903 ITSDNDLGJRZWNJ-SANMLTNESA-N 460.581 5.996 50 10 JKGE Cc1ccccc1[C@H]1C(C#N)=C(N)Oc2c1c(C(F)(F)F)nn2-c1ccc(Cl)c(Cl)c1 1865712872 KCJYEYUVYRRACN-INIZCTEOSA-N 465.262 5.725 50 10 JKGE Cc1ccc(-c2nc(Nc3ccc(C(=O)Oc4cccc5c4C(=O)OC5=O)cc3)sc2C)cc1C 1865789109 SYTQMMRCEABXAH-UHFFFAOYSA-N 484.533 6.009 50 10 JKGE N#C/C(=C\c1cccc(Br)c1)C(=O)Nc1cc(Cl)ccc1Oc1ccccc1 1866131799 OHMKTCWIJJMEMH-LFIBNONCSA-N 453.723 6.440 50 10 JKGE CCCOC(=O)c1ccc(Oc2coc3cc(OCc4cccc(CCl)c4)ccc3c2=O)cc1 1871437216 MNASDWQHMYFFSV-UHFFFAOYSA-N 478.928 6.470 50 10 JKGE Cc1cccc(N2C(=O)c3ccc(/C(O)=C(\C#N)c4nc(-c5ccccc5)cs4)cc3C2=O)c1C 1872748115 JAMRTKQXNWLREQ-LVWGJNHUSA-N 477.545 6.177 50 10 JKGE Cc1cc(C)c(C)c(-c2csc(/C(C#N)=C(\O)c3cc([N+](=O)[O-])cc([N+](=O)[O-])c3C)n2)c1C 1872754089 BVYAAFLBSMCFAL-PYCFMQQDSA-N 464.503 6.118 50 10 JKGE COc1cc(-c2csc(/C(C#N)=C(\O)c3c(F)cccc3Cl)n2)c(OC)cc1Cl 1872756632 SYTJHLADIMUFGL-ODLFYWEKSA-N 451.306 6.223 50 10 JKGE CCCCc1ccc(-c2csc(/C(C#N)=C/c3ccc(OC(=O)c4ccccc4)c(OC)c3)n2)cc1 1872781076 UGLQFDZQSCUGBE-KOEQRZSOSA-N 494.616 7.445 50 10 JKGE COc1cc(/C=C(\C#N)c2nc(-c3ccc(C(C)(C)C)cc3)cs2)ccc1OCc1ccc(C)cc1 1872792331 SCXDKKINZHIADC-PCLIKHOPSA-N 494.660 8.068 50 10 JKGE CCCOc1ccc(-c2csc(/C(C#N)=C(\O)Cc3ccc(C)c(C)c3)n2)cc1OCCC 1872818104 NDEKRISHZUVJRH-GYHWCHFESA-N 462.615 7.040 50 10 JKGE C[C@@H](Br)CN(Cc1ccccc1)Cc1ccc(Cl)c(I)c1 1887439266 WASOOHLVVJWYDO-CYBMUJFWSA-N 478.599 5.730 50 10 JKGE BrCC1(CSc2cc(I)ccc2Br)CCC1 1900779747 JGFAWVXNNITRTF-UHFFFAOYSA-N 476.015 5.711 50 10 JKGE C[C@@H](Cl)CN(Cc1ccccc1)S(=O)(=O)c1cc(Br)ccc1Br 1914663992 ODAGZOPTMCDYFC-GFCCVEGCSA-N 481.637 5.030 50 10 JKGE Cc1c(Br)sc([C@@H](Cl)c2ccccc2Br)c1Br 1922932824 PJKTXCBHKALAAE-JTQLQIEISA-N 459.428 6.672 50 10 JKGE COc1ccsc1[C@@H](Br)c1sc(Br)c(C)c1Br 1922943357 VHYFYUCZSQDJRM-MRVPVSSYSA-N 461.038 6.136 50 10 JKGE CCCCCCCC[C@H](Cl)c1c(Br)sc(Br)c1Br 1924591631 SPGCOBQELMUYEQ-VIFPVBQESA-N 481.519 8.066 50 10 JKGE C[C@@H]1COC[C@@H]1[C@H](Br)c1c(Br)sc(Br)c1Br 1924612678 NHAIEJJZPVNCRR-ZDLURKLDSA-N 497.872 5.754 50 10 JKGE CC1(C)C[C@H]([C@H](Br)c2c(Cl)sc(Br)c2Cl)C(C)(C)O1 1925560350 GFZZORFKHGGQAU-SVRRBLITSA-N 451.051 6.847 50 10 JKGE Clc1sc(Br)c(Cl)c1[C@H](Br)c1csc2ccccc12 1925590412 OYQGWVGUHBTPMK-SNVBAGLBSA-N 457.039 7.516 50 10 JKGE Clc1cc([C@@H](Br)Cc2ccccc2I)c(Cl)s1 1940446207 XVIRIKUGJDGEKI-VIFPVBQESA-N 461.977 6.338 50 10 JKGE CN(Cc1cc(Cl)cc(Br)c1)C[C@H](Br)COCc1ccccc1 1979520003 LYOWCKGZMKMQSU-KRWDZBQOSA-N 461.625 5.515 50 10 JKGE CCN[C@H](c1c(Br)sc(Br)c1Br)[C@H]1C[C@H]1Br 1991466290 UJBUXRLVEFRTLK-UUEMRFSQSA-N 496.888 5.470 50 10 JKGE Brc1ccc([C@@H](Br)c2csc(Br)c2)c(Br)c1 1994136263 XTJLGLOJRKGCAY-NSHDSACASA-N 489.852 6.520 50 10 JKGE FC(F)(C1CCCC1)[C@H](Br)c1cc(Br)c(Br)s1 2012978149 UPDQKHNNJKAIQX-SECBINFHSA-N 452.984 6.535 50 10 JKGE Cl[C@H](c1c(Br)sc(Br)c1Br)[C@]12CCOC[C@@H]1C2 2018506882 GQLWQEMVIMAERO-GRBNSJTCSA-N 465.432 5.742 50 10 JKGE Clc1cccc(Cl)c1C[C@H](Br)c1cc(Br)c(Br)s1 2042856116 DAOJJYFPBBHZTA-ZETCQYMHSA-N 493.873 7.259 50 10 JKGE Cc1c(Cl)cc([C@@H](Cl)c2sc(Br)cc2Br)cc1Br 2048497007 LDGKXWUBKRSPBE-LLVKDONJSA-N 493.873 7.326 50 10 JKGE Cc1cc(Br)c(C)c([C@@H](Br)[C@@H](F)C(F)(F)F)c1Br 2081072713 XIQWRBLSTGPRCA-NXEZZACHSA-N 456.897 6.165 50 10 JKGE Cc1c(Br)ccc([C@H](Cl)c2cc(Br)c(Cl)s2)c1Br 2083319291 XQUDBRRKYLPVDO-NSHDSACASA-N 493.873 7.326 50 10 JKGE Cc1cc(Br)c([C@H](Br)[C@]23COC[C@H]2C3(F)F)cc1Br 2105468770 JTBUHFJQADUTPX-WOPDTQHZSA-N 460.938 5.238 50 10 JKGE COC[C@@]1([C@H](Br)c2ccc(Br)c(C)c2Br)CCCO1 2138867646 XXDJCUSZVLWHLT-ZIAGYGMSSA-N 457.000 5.152 50 10 JKGE CC(C)(C)[C@@H](C[C@H](Br)c1ccc(Br)cc1Br)C(F)F 2138871417 FTHLBIJVDOSAQD-JQWIXIFHSA-N 462.998 6.965 50 10 JKGE C[C@]1(C(F)(F)F)C[C@]1(CBr)Cc1ccc(I)c(Cl)c1 2142940615 OTEBCRJCVUPOFX-RYUDHWBXSA-N 467.494 5.841 50 10 JKGE Clc1ccc(Br)c([C@H](Br)c2cc(Br)c3c(c2)CCO3)c1 2146627259 JDMOOJNPPILDNP-CQSZACIVSA-N 481.409 6.284 50 10 JKGE O=C1NCCc2ccc([C@H](Br)c3csc(Br)c3Br)cc21 2150342181 RPXPPIYYBKAVEL-NSHDSACASA-N 480.019 5.043 50 10 JKGE FC1(F)CCC2(CC1)C[C@H]2[C@@H](Br)c1cc(Br)ccc1Br 2163385108 AHFBILKKPYDMDG-AAEUAGOBSA-N 472.993 6.863 50 10 JKGE CC1(C)C[C@@H](n2c(CCl)nc3cc(Cl)c(Br)cc32)[C@H]1OCc1ccccc1 2169014863 DODGJYNEIKFACW-UYAOXDASSA-N 468.222 6.747 50 10 JKGE Fc1cc(Br)cc(Oc2cc(Cl)c(Cl)cc2Cl)c1CBr 2170690892 GDUGTDIVAKGPOT-UHFFFAOYSA-N 463.355 7.236 50 10 JKGE CCn1cc(Br)c(C[C@H](CBr)Cc2ccc(Br)cc2)n1 2181156289 XITQDLHTNZTNNT-GFCCVEGCSA-N 465.027 5.224 50 10 JKGE CCn1ncc(Br)c1[C@@H](Br)c1cc(Br)c(OC)cc1C 2198726955 PGENOVYGVXAKSK-ZDUSSCGKSA-N 466.999 5.229 50 10 JKGE COc1c(C)cc(Br)cc1[C@@H](Br)c1ccc(Br)cc1F 2206564686 FEIOXULNFJSMOI-AWEZNQCLSA-N 466.970 6.152 50 10 JKGE CC1(C)C[C@]1(Cl)[C@@H](Cl)c1c(Br)sc(Br)c1Br 2211991335 WQLKIRKOAXZZJM-WKEGUHRASA-N 471.867 6.723 50 10 JKGE Fc1ccc([C@@H](Br)Cc2ccc(Br)cc2Cl)c(Br)c1 2229154931 YKEYZGJSGHRRDA-LBPRGKRZSA-N 471.389 6.683 50 10 JKGE COc1ccc([C@@H](Cl)c2c(Cl)sc(Br)c2Cl)c(Br)c1 2232076179 JSRJOGWTOQNANE-SECBINFHSA-N 465.421 6.917 50 10 JKGE Cc1ccc(I)c([C@@H](Br)Cc2c(F)cccc2Cl)c1 2232184486 URSHRNDEXUQRGP-LBPRGKRZSA-N 453.520 6.071 50 10 JKGE Cc1ccc(I)c([C@H](Cl)c2cc(Cl)c(Br)cc2F)c1 2232222483 JEUHDKFZDQDXEG-CQSZACIVSA-N 473.938 6.483 50 10 JKGE Fc1cc2c(cc1Br)nc(CCCl)n2C[C@H]1CC1(Br)Br 2233040194 OESMCMMFWQIWRH-SSDOTTSWSA-N 489.408 5.225 50 10 JKGE Fc1cc(Br)c(Br)cc1[C@@H](Br)C1C[C@H]2COC[C@H](C1)C2 2233981600 KPYSBBVHWZCWTB-UTEYVOQOSA-N 471.002 5.849 50 10 JKGE O=[N+]([O-])c1ccc(C[C@@H](Br)c2cc(Br)sc2Br)c(F)c1 2237446670 RWZXMFUETAKEOC-SECBINFHSA-N 487.970 5.999 50 10 JKGE C[C@](CI)(O[C@@H]1CC[C@H]2[C@H]1C2(F)F)c1ccccc1Br 2238675252 JULYOXXQHFJABL-IGHBBLSQSA-N 457.096 5.160 50 10 JKGE O=C(c1c(F)cccc1I)N(Cc1ccccc1)[C@@H](CCl)C1CC1 2247979709 PIPJXCCUMZWRBF-KRWDZBQOSA-N 457.714 5.090 50 10 JKGE CCc1cc([C@@H](Br)c2ccccc2OCc2ccccc2)sc1Br 2248003700 OWQRIFPBYGSGPP-IBGZPJMESA-N 466.238 7.136 50 10 JKGE Clc1ccc([C@@H](Cl)c2cc(Cl)c(Br)s2)cc1I 2248214780 LGXUJGBQQFNEQO-SNVBAGLBSA-N 482.395 6.750 50 10 JKGE CC(C)(CC(F)(F)F)[C@H](Br)Cc1cc(Br)cc(Br)c1 2277954500 FRBDKEPRRVDONW-LLVKDONJSA-N 466.961 6.496 50 10 JKGE Cn1nc([C@H](Cl)c2cc3sc(Br)cc3s2)c(Br)c1Cl 2278011112 JLMGPGMDEOBWEF-SECBINFHSA-N 461.031 6.203 50 10 JKGE Cc1ccc(Br)c([C@H](Br)c2cc3sc(Br)cc3s2)c1 2278022065 OBYBVMFQRGVSIA-AWEZNQCLSA-N 481.072 7.281 50 10 JKGE Cc1cc(Br)cc([C@@H](Br)c2cc3sc(Br)cc3s2)c1 2278101667 ORRYXLPBTAQWMB-CQSZACIVSA-N 481.072 7.281 50 10 JKGE CC(C)(C)OC(=O)N[C@@H]1CCN(Cc2ccc(CBr)cc2)[C@H](C(F)(F)F)C1 2281005006 RZDHNBVJSHXBSB-CVEARBPZSA-N 451.327 5.002 50 10 JKGE Clc1ccc([C@H](Br)c2ccc([C@@H]3CCOC3)s2)cc1I 2283580151 DAWIZWRSDGQXIG-BMIGLBTASA-N 483.596 5.994 50 10 JKGE C=CC[C@]1(CBr)CCCN(Cc2cc(Br)ccc2Br)C1 2287735344 MDVHFKYSINUJJA-MRXNPFEDSA-N 466.055 5.765 50 10 JKGE Fc1cc(Br)c(F)c(Br)c1[C@H](Br)CC(F)(F)C(F)(F)F 2288354013 AGHHKWYMDXYFGO-SCSAIBSYSA-N 496.840 6.514 50 10 JKGE Fc1ccc([C@@H](Cl)c2c(F)cc(Br)c(F)c2Br)c(Br)c1 2288496532 IGJIZWOEDMAUSN-GFCCVEGCSA-N 493.342 6.720 50 10 JKGE Cc1ccc(NC(=O)C(C#N)=C2S[C@@H](Cc3ccccc3)C(=O)N2c2ccc(Cl)cc2)cc1 2293038982 QBOUUKUTLYJESZ-QHCPKHFHSA-N 473.985 5.713 50 10 JKGE CC(C=NNC(=O)CSc1nnc(-c2ccccc2)n1-c1ccccc1)=Cc1ccccc1 2293347057 DXYRRPFOBBRUKD-UHFFFAOYSA-N 453.571 5.232 50 10 JKGE N#CC(=Cc1ccccc1OCc1ccc(C(=O)O)cc1)C(=O)Nc1ccc(Cl)cc1Cl 2293366959 FSCPPZGKYIERMD-UHFFFAOYSA-N 467.308 5.816 50 10 JKGE Brc1cc(Br)cc(C[C@H](Br)C2CC3(CCCCC3)C2)c1 2295336487 WSVWWCZMDYQGMX-INIZCTEOSA-N 465.067 6.878 50 10 JKGE CC(=O)c1cc2c(cc1NC=C(C#N)c1nc(-c3ccc(Br)cc3)cs1)OCO2 2295937258 FIKSLTUERLUIGB-UHFFFAOYSA-N 468.332 5.480 50 10 JKGE N#CC(=Cc1cn(Cc2ccc(F)cc2)c2ccccc12)C(=O)Nc1ccc(N2CCOCC2)cc1 2297535078 NMCZJAVORPMNIZ-UHFFFAOYSA-N 480.543 5.211 50 10 JKGE Cc1c(Br)sc([C@@H](Br)C[C@@H]2CCC2(F)F)c1Br 2299032001 DPWIDUJKUGCCGE-BQBZGAKWSA-N 452.984 6.453 50 10 JKGE Clc1cccc(C[C@@H](Br)c2sc(Cl)cc2I)c1 2301084357 RYKHETZRRNEOAI-SECBINFHSA-N 461.977 6.338 50 10 JKGE COc1cc(C=C(C#N)C(=O)N(C)C)cc(Br)c1OCc1ccc(Cl)c(Cl)c1 2313567065 CHNWHMPDZNFIHL-UHFFFAOYSA-N 484.177 5.339 50 10 JKGE COc1ccc(NC(=O)C(C#N)=Cc2cn(Cc3ccc(Cl)c(Cl)c3)c3ccccc23)cc1 2313667513 OGZZRFAPFLEPGD-UHFFFAOYSA-N 476.363 6.551 50 10 JKGE CCCN[C@H](c1cc(Br)ccc1OCc1ccccc1)[C@H]1C[C@@H](Br)C1 2314443953 LTQDQQRBCXXEMR-CDXJDZJCSA-N 467.245 6.242 50 10 JKGE CC(C)c1ccc(NC(=O)C(C#N)=Cc2cn(-c3ccccc3)nc2-c2cccc3ccccc23)cc1 2314486650 ANGJQTWLVZMJEV-UHFFFAOYSA-N 482.587 7.362 50 10 JKGE C[C@]1([C@@H](Br)c2c(Cl)cc(Br)c(F)c2Br)CCOC1 2315440427 SNXYSUZOMIIDKZ-RYUDHWBXSA-N 465.382 5.867 50 10 JKGE Cc1ccc(CBr)c(Oc2cc(Br)cc(I)c2)c1 2316760567 VWLNCRQNCTYUEB-UHFFFAOYSA-N 481.953 6.049 50 10 JKGE Fc1cc(F)c([C@@H](Br)c2sc(Cl)cc2I)c(F)c1 2316768604 AMXPKZKJPXSVQB-SNVBAGLBSA-N 467.475 5.908 50 10 JKGE FC1(F)CCC[C@H](Cc2ccc(I)c(Br)c2)[C@@H]1Br 2325209057 KYOQUNNBZSCGKS-SKDRFNHKSA-N 493.955 5.795 50 10 JKGE CC(C)c1ccc(C=CC(O)=C(C#N)c2nc(-c3cccc(Br)c3)cs2)cc1 2331279263 CVJYQSRGTZKRSZ-UHFFFAOYSA-N 451.389 7.202 50 10 JKGE CCCOc1ccc(-c2csc(C(C#N)=C(O)[C@@H]3CC(=O)N(C(C)C)C3)n2)cc1OCCC 2331293520 UQMQTAOTXMZVIU-GOSISDBHSA-N 469.607 5.437 50 10 JKGE COc1cc(-c2csc(C(C#N)=C(O)Cc3ccc(NC(C)=O)cc3)n2)c(OC)cc1Cl 2331377198 WHTFXLIXGOPCGO-UHFFFAOYSA-N 469.950 5.474 50 10 JKGE COc1cc(Cl)c(C)cc1-c1csc(C(C#N)=C(O)COc2ccc(Cl)cc2Cl)n1 2331390189 QDNSWKDDRIQOAF-UHFFFAOYSA-N 481.788 6.959 50 10 JKGE CCCCCOc1ccc(C=C(C#N)c2nc(-c3ccc4ccccc4c3)cs2)cc1OCC 2331416280 ACYDWFMGYLSHAY-UHFFFAOYSA-N 468.622 7.995 50 10 JKGE Cc1cc(-c2csc(C(C#N)=Cc3cc(Br)cc(Br)c3O)n2)ccc1F 2331449009 ASLVDMKMGSSHTG-UHFFFAOYSA-N 494.183 6.552 50 10 JKGE COc1cc(Br)cc(C=C(C#N)c2nc(-c3ccc(C(C)C)cc3)cs2)c1O 2331456584 GBVCYBZUOWRZRM-UHFFFAOYSA-N 455.377 6.474 50 10 JKGE N#CC(=Cc1ccc(OCc2ccccc2)cc1)c1nc(-c2cc(Cl)ccc2Cl)cs1 2331488549 DUPWETYZTXMDNV-UHFFFAOYSA-N 463.389 7.760 50 10 JKGE Fc1ccc(Cl)c(F)c1[C@H](Cl)c1cc(Br)ccc1OCc1ccccc1 2336080741 MNXWTHKPNDFYHP-LJQANCHMSA-N 458.129 7.288 50 10 JKGE CCCc1sc(Br)cc1[C@@H](Br)c1cc(Cl)cc(Br)c1 2338020132 IWLMUPSVOGCQTE-AWEZNQCLSA-N 487.482 7.363 50 10 JKGE Brc1ccc(OCc2ccccc2)c([C@@H](Br)[C@H]2COC3(CCC3)CO2)c1 2338791168 UPGUOTLMTGINPI-WOJBJXKFSA-N 482.212 5.802 50 10 JKGE Cc1cc(Br)c(F)c(Br)c1[C@H](Br)C(C)(C)CC(F)F 2339657163 VMZXHBBEPDLFHI-LBPRGKRZSA-N 466.961 6.777 50 10 JKGE CCOC1([C@@H](Br)c2c(C)cc(Br)c(OC)c2Br)CC1 2339673462 AZJASMGEJOXHPV-ZDUSSCGKSA-N 457.000 5.534 50 10 JKGE Cc1ccc(OCc2ccc(I)c(Br)c2)c(CCl)c1 2349804013 CSBGRCGTSOAVEZ-UHFFFAOYSA-N 451.529 5.680 50 10 JKGE ClCc1cnc(OCc2ccc(I)c(Br)c2)c(Cl)c1 2350076075 ATWAGSWFMMNEQM-UHFFFAOYSA-N 472.935 5.420 50 10 JKGE CO[C@]1(C(F)(F)F)C[C@H]([C@@H](Cl)c2ccc(OCc3ccccc3)cc2Br)C1 2361173695 VCTUZFTUMNAJTM-ZMYBRWDISA-N 463.721 6.666 50 10 JKGE Clc1ccc(C[C@@H]2CCc3ccccc3[C@@H]2Br)cc1I 2362434273 ZHWSKJQAVRCQBH-SUMWQHHRSA-N 461.568 6.186 50 10 JKGE Fc1ccc([C@H](Cl)c2sc(Cl)cc2I)cc1C(F)(F)F 2363890964 FCCCPTBTUZTGID-JTQLQIEISA-N 455.041 6.492 50 10 JKGE COc1c(Br)cc(C)c([C@H](Br)[C@H]2C[C@@]2(C)C(F)F)c1Br 2365194125 OJNUBOSRQXNIHK-KZJPANMKSA-N 476.981 6.256 50 10 JKGE O=C(N[C@H](CCBr)COCc1ccccc1)c1c(Cl)cccc1C(F)(F)F 2369432334 CDXGRXNWDCGBLR-CQSZACIVSA-N 464.709 5.459 50 10 JKGE CC1(C)CC(CBr)(CN=[S@@](C)(=O)c2ccc(NC(=O)OC(C)(C)C)cc2)C1 2371130876 FHCGCPKGRCIZFL-MHZLTWQESA-N 459.450 5.692 50 10 JKGE CC(C)CO[C@@H]1[C@H](Br)C[C@H]1OCc1cc(I)ccc1Cl 2380346654 QHZWUNRUGDZMDF-BPLDGKMQSA-N 473.576 5.038 50 10 JKGE Clc1ccc(I)cc1CN1[C@@H](CBr)C[C@H]2CCCC[C@H]21 2380513119 RIRFWYUZEAARKE-DJSGYFEHSA-N 468.604 5.473 50 10 JKGE O=C(CCCC(=O)N/N=C/c1cccc(Cl)c1Cl)N/N=C/c1cccc(Cl)c1Cl 13967177 HXLWEBWSGKQETP-JTZQCBLNSA-N 474.175 5.071 50 10 JKGE Br[C@H]1CCCC[C@@H]1[n+]1c(-c2ccccc2)cc(-c2ccccc2)cc1-c1ccccc1 15770119 AJFJBOTYRURHMT-SVBPBHIXSA-N 469.446 7.854 50 10 JKGE Cc1ccc(N2C(=O)[C@H](Cc3cccc(Cl)c3)S/C2=C(\C#N)C(=O)NCc2ccccc2)cc1 16739746 GBRMGPJFCNTXRK-BSSRNLCFSA-N 488.012 5.391 50 10 JKGE CCc1cccc(CC)c1N/C(SCc1ccccc1C)=C(/C#N)S(=O)(=O)c1ccccc1 20325428 QMOJVIONZQJQPR-IMVLJIQESA-N 476.667 6.632 50 10 JKGE CCOC(=O)c1c(-c2ccc(Cl)cc2)csc1NC(=O)/C(C#N)=C\c1ccc(Cl)cc1 33628166 NQGAHUZGIJWIQP-WJDWOHSUSA-N 471.365 6.444 50 10 JKGE COc1cccc(OCCOc2c(Cl)cc(Cl)cc2/C=C(/C#N)C(=O)Nc2cccc(C)c2)c1 33717102 FGMXENBABKDMOA-UNOMPAQXSA-N 497.378 6.314 50 10 JKGE CCCCOc1ccccc1C(=O)Oc1ccc2c(c1)OC(N)=C(C#N)[C@H]2c1ccccc1Cl 38651098 FEGWTZZWAMMYGV-VWLOTQADSA-N 474.944 5.956 50 10 JKGE CCOc1ccccc1C(=O)Oc1ccc2c(c1)OC(N)=C(C#N)[C@@H]2c1ccc(Cl)c(Cl)c1 38656074 UVGJGMBWKFLMKI-HSZRJFAPSA-N 481.335 5.829 50 10 JKGE CSc1ccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)COc4ccc(Cl)cc4)ccc32)cc1 38682128 NZQMPQJFWUGCHQ-XMMPIXPASA-N 478.957 5.264 50 10 JKGE COc1cccc(C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@H]3c2cccc(OCCC(C)C)c2)c1 38684624 QDUZHRGZZZEYSA-MHZLTWQESA-N 484.552 5.557 50 10 JKGE Cc1c(C(=O)NC2CCCCC2)oc2c1/C(=N/NC(=O)c1ccc(-c3ccccc3)cc1)CCC2 40822659 LXMRWCQTELZDJI-QFMPWRQOSA-N 469.585 5.788 50 10 JKGE CCOc1ccccc1NC(=O)N/N=C/c1cc(Br)c(Sc2ccc(Cl)cc2)o1 59302712 ISYIMBUMIPVBOA-FSJBWODESA-N 494.798 6.401 50 10 JKGE O=C(N/N=C/c1ccc(OCc2ccccc2Cl)c(Br)c1)c1cc2ccccc2o1 59304095 GDYYHDAEGDRHBW-LGJNPRDNSA-N 483.749 6.192 50 10 JKGE CCc1c(C)sc(NC(=O)/C(C#N)=C\c2ccccc2OCc2cccc(C(F)(F)F)c2)c1C#N 96504311 JSGPYBBCDZPZJC-UNOMPAQXSA-N 495.526 6.634 50 10 JKGE CCCCCCCCCCCCCCC(=O)OC(=O)CCCCCCCCCCCCCC 100305063 FDFNBCUNAKLACI-UHFFFAOYSA-N 466.791 10.239 50 10 JKGE COc1c(Br)cc(Cl)cc1[C@H](Br)c1ccc(Br)c(F)c1 109835960 AIIPWFYRQDXAIG-CYBMUJFWSA-N 487.388 6.497 50 10 JKGE Cc1ccc(Br)cc1[C@@H](Br)c1cc(Cl)c(Br)s1 127580009 ZQLOEKRVNVLVSP-LLVKDONJSA-N 459.428 6.719 50 10 JKGE COc1cc(Br)c([C@H](Br)c2cc(C)cc(Br)c2)cc1OC 131984650 KMOMKJQBPZRBBN-MRXNPFEDSA-N 479.006 6.022 50 10 JKGE Fc1ccc(-n2c(CCl)nc3cc(F)c(Br)cc32)c(I)c1 158663645 UOCRIFXKMDTWGP-UHFFFAOYSA-N 483.481 5.410 50 10 JKGE CCCCOc1ccc(/C=C\C(=O)Oc2ccc(/C=C(\C#N)C(=O)NCc3ccco3)cc2)cc1 206690030 IQFIWOFVBROKLB-ZSRIUZQFSA-N 470.525 5.301 50 10 JKGE CC(C)C(CBr)(CBr)Cc1cc(Br)cc2c1OCC2 228557053 WAUQKDHUHVJVAV-UHFFFAOYSA-N 455.028 5.359 50 10 JKGE Brc1cc([C@@H](Br)c2csc3c(Br)cccc23)cs1 232484101 ITDVSYUHXLBNHZ-GFCCVEGCSA-N 467.045 6.972 50 10 JKGE Brc1ccc([C@@H](Br)c2ccc3c(c2)OCCO3)c(Br)c1 232484776 IGNOPKLNOXPMGI-HNNXBMFYSA-N 462.963 5.467 50 10 JKGE Cc1csc([C@@H](Br)c2cc(Br)ccc2Br)c1Cl 235934458 CRSDOKXSCVWTLV-JTQLQIEISA-N 459.428 6.719 50 10 JKGE CCn1cc(C=NNC(=O)c2cc(-c3ccc(Cl)c(Cl)c3)nc3ccccc23)c(C)n1 252628327 SNVUXEAFZWFFBX-UHFFFAOYSA-N 452.345 5.497 50 10 JKGE CCc1ccc(-c2cc(C(=O)NN=C(C)c3ccc(OC(C)C)cc3)c3cccc(Cl)c3n2)cc1 254341437 QBWCCMFBYJNTEP-UHFFFAOYSA-N 486.015 7.059 50 10 JKGE CCn1c(SCC(=O)NN=Cc2c3ccccc3cc3ccccc23)nnc1-c1ccc(OC)cc1 254402359 AYIWNVRXZMNICV-UHFFFAOYSA-N 495.608 5.522 50 10 JKGE CCOc1ccc(-c2cc(C(=O)NN=C[C@@H](C)c3ccc(OCC(C)C)cc3)c3ccccc3n2)cc1 254820697 XRCSMEZIVCGOSF-JOCHJYFZSA-N 495.623 6.855 50 10 JKGE CCOC(=O)c1ccc(-n2c(C)cc(C=NNC(=O)c3cc4c(s3)CC[C@@H](C)C4)c2C)cc1 254823846 RTEMNJSTVPUUKQ-MRXNPFEDSA-N 463.603 5.221 50 10 JKGE CCOc1ccc(C(=O)Oc2ccc3ccccc3c2C=NNC(=O)COc2ccc(CC)cc2)cc1 254839582 BFJIJFBTRNUBGO-UHFFFAOYSA-N 496.563 5.549 50 10 JKGE CCCCCc1cc2c(c(O[Si](C)(C)C(C)(C)C)c1)[C@@H]1C=C(COC(C)=O)CC[C@@H]1C(C)(C)O2 256321511 SCKLQDZODWBYFB-RPWUZVMVSA-N 486.769 7.957 50 10 JKGE Brc1cc2c(cc1[C@@H](Br)c1sccc1Br)CCO2 308413808 JTPGNEALKXTLEC-GFCCVEGCSA-N 452.993 5.692 50 10 JKGE COc1cc(Br)c(Oc2ncc(CCl)cc2Br)cc1Br 312628376 QJKDGSOMXHHPDN-UHFFFAOYSA-N 486.385 5.909 50 10 JKGE Clc1ccc(Br)c(C[C@@H](CBr)Cc2cccc(Br)c2)c1 312855177 QZJBDFLZGNUAPT-LBPRGKRZSA-N 481.453 6.661 50 10 JKGE N#Cc1cc(Br)ccc1COc1ccc(Br)c(CBr)c1 380182705 BLVWFXBJWPNPST-UHFFFAOYSA-N 459.963 5.557 50 10 JKGE Fc1ccc(I)cc1[C@H]1CN(Cc2ccccc2)C[C@H]1CBr 382732594 VGRQYJYJOFKHIB-PBHICJAKSA-N 474.155 5.041 50 10 JKGE Fc1cc(Oc2cccc(Br)c2CBr)c(Cl)cc1Br 394825724 ZHUANBVZDLJDOT-UHFFFAOYSA-N 473.361 6.691 50 10 JKGE CC(C)(C)OC(=O)N1CCc2ccccc2[C@H]1c1ccc(CCO[Si](C)(C)C(C)(C)C)cc1 616680266 LKJGGLCUGVWXMX-RUZDIDTESA-N 467.726 7.134 50 10 JKGE BrCc1ccc(Br)cc1N1C[C@@H]2CC[C@H](C1)N2Cc1ccccc1 687237354 XDFAHRBGSMHQCV-KDURUIRLSA-N 450.218 5.197 50 10 JKGE COCc1cc(Br)c([C@@H](Cl)c2ccc(I)c(Cl)c2)s1 710873845 HTRVLIQAYVZBQW-LBPRGKRZSA-N 492.003 6.243 50 10 JKGE FC(F)(F)Sc1cccc2sc(I)c(CBr)c12 725283630 HESVXHZQJNHZMS-UHFFFAOYSA-N 453.086 6.013 50 10 JKGE C=CCc1cc(/C=C(\C#N)C(=O)N(C)C)cc(Br)c1OCc1ccc(Cl)cc1Cl 1083931866 SQMAFFIXPKITTL-RQZCQDPDSA-N 494.216 6.059 50 10 JKGE COc1ccc(C(=O)NN=Cc2cc(Br)c(Sc3ccc(Cl)cc3)o2)cc1 1083998015 WVYDKOSBTFQKMH-UHFFFAOYSA-N 465.756 5.619 50 10 JKGE Cc1ccc(NC(=O)/C(C#N)=C2/C(=O)N(Cc3ccccc3)c3ccc(Br)cc32)cc1 1084335897 YDUKTVYNJROMES-XTQSDGFTSA-N 472.342 5.220 50 10 JKGE O=C(NN=Cc1cccc(OCc2ccc(Cl)c(Cl)c2)c1)c1ccccc1Br 1084402136 QCJYDQZZLQCSIV-UHFFFAOYSA-N 478.173 6.099 50 10 JKGE COc1ccc(/C(C#N)=C/c2ccc(OC(=O)c3ccc(Cl)c(Cl)c3)c(OC)c2)cc1 1615065997 CRZYJNOFJLDWBQ-WOJGMQOQSA-N 454.309 6.294 50 10 JKGE O=C(CSc1nc2ccccc2s1)NN=Cc1ccc(-c2nc3ccccc3s2)o1 1772724730 DSBACFCGSLNGSX-UHFFFAOYSA-N 450.570 5.408 50 10 JKGE CC(C)CCC[C@H](C)[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 1848665509 RJYDKYCTOASENH-DNKNIDSMSA-N 491.200 8.957 50 10 JKGE Cc1ccc([C@@H]2C(C#N)=C(N)Oc3c2c(-c2ccccc2)nn3-c2ccc(Br)cc2)cc1 1865685428 IMAXFUIBMXPGQM-JOCHJYFZSA-N 483.369 5.828 50 10 JKGE CCCCCOc1ccc([C@H]2C(C#N)=C(N)Oc3c2c(C)nn3-c2ccc(C)cc2)cc1OCC 1865691053 ICNCEOWNVVGEOD-SANMLTNESA-N 472.589 5.675 50 10 JKGE CCc1ccc([C@@H]2C(C#N)=C(N)Oc3c2c(-c2ccc(OC)cc2)nn3Cc2cccc(F)c2)cc1 1865709068 MVHXWKKMCYHMQT-RUZDIDTESA-N 480.543 5.527 50 10 JKGE CCOc1ccc(/C=N\NC(=O)c2ccc(-c3ccc(Cl)c(Cl)c3)nc2C)cc1OC 1865762334 ABCNDJLPAFCWFP-ZMFRSBBQSA-N 458.345 5.535 50 10 JKGE Cc1nc(-c2ccc(Cl)c(Cl)c2)ccc1C(=O)N/N=C\c1ccc(Br)cc1F 1865762690 XDRHBBUHPFDHNO-MRUKODCESA-N 481.152 6.029 50 10 JKGE N#CSc1ccc(NC(=O)[C@@H](NC(=O)[C@H](c2ccc(Cl)cc2)C2CC2)c2ccccc2)cc1 1866999760 BGJJRIVUTDRNGJ-ZEQRLZLVSA-N 476.001 5.903 50 10 JKGE Cc1ccc(C)c2c1C[C@@H](C)CN2c1cc(Nc2ccc(SC#N)cc2)nc(Cc2ccccc2)n1 1868208177 UVCJWEYLTZUJCA-HXUWFJFHSA-N 491.664 7.331 50 10 JKGE Cc1ccc(-c2nc(Nc3ccc(SC#N)cc3)cc(N3C[C@H](C)Cc4c(C)ccc(C)c43)n2)cc1 1868320078 ALAICKDVBOGMAE-HXUWFJFHSA-N 491.664 7.716 50 10 JKGE CCOc1ccc(/C=C/C(O)=C(\C#N)c2nc(-c3cccc(Br)c3)cs2)cc1OC 1872746042 OTFVTBOLOVWQQG-BLZZZOFZSA-N 483.387 6.486 50 10 JKGE COc1ccc(-c2csc(/C(C#N)=C(\O)[C@@H]3CC(=O)N(c4cc(Cl)ccc4OC)C3)n2)cc1C 1872746483 KBGCICDJFFLRPD-MANHQWRXSA-N 495.988 5.635 50 10 JKGE CCCCCCCOc1ccc(-c2csc([C@H](C#N)C(=O)/C(C#N)=C/c3ccccc3)n2)cc1 1872776463 QISCZCBNWKSWCD-LBKCIFGTSA-N 469.610 6.943 50 10 JKGE CCN(Cc1ccccc1)c1ccc(/C=C(\C#N)c2nc(-c3ccc(OC)c(C)c3C)cs2)cc1 1872792884 WCTYKINXWBZUDM-KOEQRZSOSA-N 479.649 7.526 50 10 JKGE Cc1cc([C@@H](Br)c2c(Br)c(C)nn2C)c(C)cc1Br 1877176492 SDNZDQACJYFNNQ-CYBMUJFWSA-N 451.000 5.355 50 10 JKGE Cl[C@@H](c1ccc(Br)o1)c1cc(Br)ccc1OCc1ccccc1 1899880763 BEHGNHLLQGFNPX-GOSISDBHSA-N 456.561 6.712 50 10 JKGE O=S(=O)(c1cc(Cl)sc1Cl)N(Cc1ccccc1)C1(CBr)CCC1 1915751565 VCQYXCHKBHYVCH-UHFFFAOYSA-N 469.253 5.563 50 10 JKGE COc1cc([C@H](Br)c2c(Br)sc(Br)c2Cl)ccc1F 1923068627 UOXJOJSKRMGAIK-VIFPVBQESA-N 493.417 6.559 50 10 JKGE C[C@@](CBr)(Cc1c(Br)cccc1Br)C1CCCCC1 1923895558 QFEJWRRIAXZTFJ-INIZCTEOSA-N 453.056 6.736 50 10 JKGE CCc1occc1[C@H](Cl)c1c(Br)sc(Br)c1Br 1924583389 JHIIMIOVIQTIMT-VIFPVBQESA-N 463.416 6.519 50 10 JKGE C[C@@H]1COC[C@@H]1[C@H](Cl)c1c(Br)sc(Br)c1Br 1924612246 KRQBUKLLZIKVGU-FOHZUACHSA-N 453.421 5.598 50 10 JKGE CO[C@@H]1C[C@]2([C@@H](Br)c3c(Br)sc(Br)c3Cl)C[C@@H]12 1951245772 JWTAUHFPIHSMTJ-QLPOTSPLSA-N 465.432 5.788 50 10 JKGE CC(C)(C(=O)O)[C@H](CCCC[C@@H]1CCSS1)NC(=O)OCC1c2ccccc2-c2ccccc21 1951853235 DPMMTCJKNRHSIH-KOSHJBKYSA-N 499.698 6.719 50 10 JKGE C[C@H]1[C@@H](C)[C@@H]1[C@@H](Br)c1c(Br)sc(Br)c1Br 1959037574 KRTUVOLRWKQCFV-UELCQGJWSA-N 481.873 6.374 50 10 JKGE Brc1cc(Br)c([C@H](Br)[C@H]2CCn3ccnc3C2)s1 2046627624 PVUCAKPTPKHTKV-WRWORJQWSA-N 455.013 5.168 50 10 JKGE Cc1c(Br)sc([C@H](Br)C2C[C@@H]3CC[C@H](C2)O3)c1Br 2060982138 CWLDJYNNHYCAHQ-DGPDRUAKSA-N 459.041 5.975 50 10 JKGE CCCOc1ccc(Cn2nc(CBr)c(Br)c2C(F)(F)F)cc1 2079233342 SQVNNVSRRXRENC-UHFFFAOYSA-N 456.100 5.396 50 10 JKGE CC[C@]12CO[C@]([C@H](Br)c3sc(Br)c(C)c3Br)(C1)C2 2084489610 DWMMCFLIQJJWNX-RTXFEEFZSA-N 459.041 5.977 50 10 JKGE CN(c1c(CCl)ccc(Br)c1Cl)[C@@H]1CC(C)(C)[C@H]1OCc1ccccc1 2100212345 YZBNYHJENZOQJM-XLIONFOSSA-N 457.239 6.661 50 10 JKGE CCC[C@@H](CBr)CN(CCCNC(=O)OC(C)(C)C)c1cccc(Br)c1 2106787189 HQTVKBGLKPGGRT-INIZCTEOSA-N 492.296 5.982 50 10 JKGE O=C(NC[C@@H]1CCCC[C@@H](Br)C1)c1csc(Br)c1Br 2107482193 XFYWLDGYLVJABX-RKDXNWHRSA-N 474.056 5.347 50 10 JKGE Cc1cc(Br)c(CCl)c(Oc2ccc(Br)cc2Br)c1 2116825998 MEHHWMLOSIYBAR-UHFFFAOYSA-N 469.398 6.814 50 10 JKGE BrCc1cc(Br)c(OCCCOCC2CC2)c(Br)c1 2128292733 QKTTWFMAVZSLBQ-UHFFFAOYSA-N 457.000 5.302 50 10 JKGE Cc1cc2nc(CCl)n(CC3(N(Cc4ccccc4)Cc4ccccc4)COC3)c2cc1Cl 2141617172 OQRVCKYOACMLAU-UHFFFAOYSA-N 480.439 6.208 50 10 JKGE Clc1cc([C@H](Br)c2cc(Br)c3c(c2)CCCO3)sc1Cl 2156053117 YQTUHOMHPXQCFK-GFCCVEGCSA-N 457.014 6.627 50 10 JKGE C[C@H]1CCO[C@H]1CCC(CBr)(CBr)c1ccccc1Br 2157326962 QUQLYPBUIIWIOL-WFASDCNBSA-N 469.055 5.682 50 10 JKGE CC1(C)CCC[C@H](CO[C@H](CI)c2ccc(Br)cc2)O1 2185551259 NMERPTZPOBWBAR-HUUCEWRRSA-N 453.158 5.290 50 10 JKGE COc1cc(C)c([C@H](Cl)c2ccc(Br)cc2Br)cc1Br 2198732775 NHGDIJIMYHZNRD-OAHLLOKOSA-N 483.425 6.619 50 10 JKGE CC(C)(C)OC(=O)N1CCC(CI)(OC[C@@H]2C[C@@H]2C2CCCCCC2)CC1 2200761016 QCXJGMCVBCYFGN-RBUKOAKNSA-N 491.454 5.814 50 10 JKGE Cc1cc(Br)c(C)c([C@H](Br)C2C[C@@H](C)O[C@H](C)C2)c1Br 2201066370 ZRRSLLZHBHJQJH-XIZWVBILSA-N 469.055 6.468 50 10 JKGE Cc1ccc(Br)cc1[C@H](Br)c1c(Br)cc(F)c(Cl)c1F 2201616273 AHVQEOIIRIHPQC-LBPRGKRZSA-N 489.379 6.936 50 10 JKGE O=C(c1ccc(Br)cc1Br)N1CCCC[C@@H]1CCCBr 2206674610 KAGSMGDBZBJPAO-GFCCVEGCSA-N 468.027 5.381 50 10 JKGE C[P@]1(=O)C[C@@H](Cl)[C@H](c2sc(Br)c(Br)c2Br)C1 2212199834 GWDXOSHUSRKLIT-LYYLLCSYSA-N 471.376 5.733 50 10 JKGE CC(C)N(CCCCCI)C[C@H]1CCCCN1C(=O)OC(C)(C)C 2214704253 BAHIWEQGICMJOM-QGZVFWFLSA-N 452.421 5.092 50 10 JKGE Clc1cc(Br)c([C@H](Cl)c2nscc2Br)c(Cl)c1Cl 2217611071 PMKFNJYAVPFEKX-VIFPVBQESA-N 470.828 6.957 50 10 JKGE Fc1cc(F)c([C@H](Br)c2cc(Br)sn2)c(F)c1Br 2220510562 OZAFNKMGUVHRSH-SECBINFHSA-N 465.914 5.570 50 10 JKGE Cc1cc(Br)c([C@H](Br)[C@@H]2C[C@H]2CC(C)C)c(C)c1Br 2227356519 RJVLWYJAPBEWPG-XHBSWPGZSA-N 453.056 6.947 50 10 JKGE O=C(Nc1ccccc1CBr)c1ccc(I)c(Br)c1 2230679946 VLXCNVNUPAQDLT-UHFFFAOYSA-N 494.952 5.201 50 10 JKGE O=S1(=O)CCC[C@@H]([C@@H](Br)c2c(Br)cc(Cl)c(Cl)c2Cl)C1 2232519774 LSJLGMZTUMKTIF-LHLIQPBNSA-N 485.452 5.670 50 10 JKGE Cc1cc(Br)c([C@H](Br)c2ccc(F)c(Br)c2)c(C)c1Cl 2232527375 CUMSCVFLGCIMIZ-CQSZACIVSA-N 485.416 7.105 50 10 JKGE Fc1cc(F)c([C@@H](Cl)c2ccc(I)c(Cl)c2)c(F)c1Br 2236101461 AJECYKYMSVMSKG-LBPRGKRZSA-N 495.891 6.453 50 10 JKGE FC(F)(F)c1cc2c(cn1)nc(CCCl)n2CCCN(Cc1ccccc1)Cc1ccccc1 2237597687 RKHBAJYWTZOVHJ-UHFFFAOYSA-N 486.969 6.324 50 10 JKGE Clc1cc([C@H](Cl)c2ccc3c(c2Br)CCO3)ccc1I 2238071161 LQBZHBHUZADLPD-HNNXBMFYSA-N 483.958 5.970 50 10 JKGE Fc1cc(Br)c(F)c(Br)c1[C@@H](Cl)c1coc(Br)c1 2260070966 NDXKTDOTYKOSFQ-JTQLQIEISA-N 465.313 6.174 50 10 JKGE COc1ccc([C@H](Cl)c2cccc(I)c2)c(Br)c1Cl 2268259898 OHZMLANCDQRMRJ-CYBMUJFWSA-N 471.947 6.044 50 10 JKGE Cc1cc(Br)c([C@@H](Br)c2cccc(Br)c2C)c(C)c1F 2279144201 LGCVGIHHZHECIH-HNNXBMFYSA-N 464.998 6.760 50 10 JKGE Cc1cc(Br)c([C@H](Br)c2nn(C)c(Cl)c2Br)c(C)c1F 2279160531 SAVQAOUSBNJYTA-VIFPVBQESA-N 489.408 5.839 50 10 JKGE COc1ccc([C@@H](Cl)c2ccc(Cl)c(Br)c2)c(Br)c1Cl 2283554958 RGBCJOWRGCNQEU-ZDUSSCGKSA-N 459.392 6.855 50 10 JKGE Fc1cc(F)c(F)c([C@H](Br)c2ccc(Cl)c(I)c2)c1F 2283577766 CUJFIFLRIVSTDA-LLVKDONJSA-N 479.436 5.985 50 10 JKGE Cc1cc(F)c(Br)cc1[C@H](Br)c1cc(Cl)c(Br)cc1F 2285938499 CURZEWUAJILNJN-AWEZNQCLSA-N 489.379 6.936 50 10 JKGE N#CC(=Cc1cn(Cc2cccc3ccccc23)c2ccccc12)C(=O)Nc1ccccc1C(=O)O 2293656534 XDFRZTOFMWVIAO-UHFFFAOYSA-N 471.516 6.087 50 10 JKGE CCCCCCCCC[C@H](Br)Cc1cc(Br)cc(Br)c1 2295337886 PGFLHNOAUAMYNM-HNNXBMFYSA-N 469.099 7.658 50 10 JKGE COc1ccc(CNC(=O)C(C#N)=Cc2ccc(COc3ccc(Cl)c(Cl)c3)o2)cc1 2295672269 HUIVWPMMHIFEBM-UHFFFAOYSA-N 457.313 5.397 50 10 JKGE COc1cc(C=C(C#N)c2nn(-c3ccccc3)c(N)c2C#N)ccc1OCc1c(F)cccc1Cl 2296739314 UUNORKXLYNUXEE-UHFFFAOYSA-N 499.933 5.770 50 10 JKGE CCOc1cc(C=C(C#N)C(=O)Nc2ccc([N+](=O)[O-])cc2O)ccc1OCc1ccc(C)cc1 2297491157 ICWQZPUIJGZARM-UHFFFAOYSA-N 473.485 5.132 50 10 JKGE CC(C)(C)[C@@H]1CC(=Cc2ccccc2Cl)C2=C(C1)[C@@H](c1ccccc1Cl)C(C#N)=C(N)O2 2297504863 DCDCHBSBVCLMAN-HOYKHHGWSA-N 465.424 7.595 50 10 JKGE N#CC(=Cc1ccc(-c2cccc(Cl)c2)o1)C(=O)Nc1ccc([N+](=O)[O-])cc1C(F)(F)F 2297551437 KKTRNFFUAMMQDN-UHFFFAOYSA-N 461.783 6.073 50 10 JKGE N#CC(=C1SC=C(c2ccc(Br)cc2)N1c1ccccc1)c1nc2ccccc2[nH]1 2297565098 OLTLYUCQNANLDP-UHFFFAOYSA-N 471.383 6.770 50 10 JKGE CC(F)(F)CCC[C@@H](Br)c1cc(Br)ccc1OCc1ccccc1 2299499583 YROYGIWQPZNTIV-QGZVFWFLSA-N 462.172 7.290 50 10 JKGE COc1cc(C=C(C#N)C(=O)Nc2sc3c(c2C#N)CCCC3)ccc1OCc1cccc(F)c1 2313630777 SOBDNVVBLPDEGK-UHFFFAOYSA-N 487.556 5.771 50 10 JKGE Cc1cccc(NC(=O)C(C#N)=Cc2ccccc2OCc2ccc(Cl)cc2Cl)c1C 2313667551 PEDFSTXDVGITAZ-UHFFFAOYSA-N 451.353 6.735 50 10 JKGE Brc1cc(OCc2ccccc2)ccc1[C@@H](Br)C[C@H]1CCCC12CC2 2314442711 GPGCKJHRCSEQTP-XLIONFOSSA-N 464.241 7.435 50 10 JKGE CCCc1sc(Br)cc1[C@@H](Br)c1cc(Br)oc1C 2316179101 XCHIQYPTBZRSGG-ZDUSSCGKSA-N 457.025 6.611 50 10 JKGE COc1cc(C=C(C#N)c2cccc(Cl)c2)ccc1OC(=O)c1cccc(Br)c1 2320506410 IXSGGTZIFNZTBS-UHFFFAOYSA-N 468.734 6.394 50 10 JKGE CC[C@H](NC(=O)C(C#N)=CNc1ccc(Oc2ccccc2)cc1)c1ccc2c(c1)CCCC2 2325079331 BGQYQQSVUNPVIZ-NDEPHWFRSA-N 451.570 6.445 50 10 JKGE CCCOc1ccccc1C=CC(=O)NCc1ccc(OC(=O)Nc2ccc(SC#N)cc2)cc1 2329386024 REGZILFJKWQQOW-UHFFFAOYSA-N 487.581 5.989 50 10 JKGE COc1ccc(-c2csc(C(C#N)=C(O)c3cc(C(F)(F)F)cc(C(F)(F)F)c3)n2)cc1C 2331259880 NOHCXCTUPGSCAC-UHFFFAOYSA-N 484.421 7.115 50 10 JKGE Cc1cc(C)c(C)c(-c2csc(C(C#N)=C(O)CCCOc3ccccc3Cl)n2)c1C 2331366233 CCIUSKAUHRGGCJ-UHFFFAOYSA-N 453.007 7.349 50 10 JKGE COc1cc(C=CC(O)=C(C#N)c2nc(-c3cc(Cl)cc(C)c3OC)cs2)cc(OC)c1OC 2331391811 IIKWOIYVMJZMOC-UHFFFAOYSA-N 498.988 6.312 50 10 JKGE CCOc1ccc(CCC(O)=C(C#N)c2nc(-c3ccc(OC)c(Cl)c3)cs2)cc1OC 2331399452 NACXNZXLQSIJSN-UHFFFAOYSA-N 470.978 6.305 50 10 JKGE CCc1ccc(-c2csc(C(C#N)=Cc3ccc(OCc4ccc(Cl)cc4)cc3)n2)cc1 2331417606 CMDZHCFTVNXGTO-UHFFFAOYSA-N 456.998 7.669 50 10 JKGE COc1cccc([C@H](Cl)c2ccc(OCc3ccccc3)cc2Br)c1Cl 2336048055 QRMLEBLIXHINQE-HXUWFJFHSA-N 452.175 7.018 50 10 JKGE COc1cc([C@H](Cl)c2ccc(OCc3ccccc3)cc2Br)ccc1Br 2336079644 HCBCEOZSWIGAFT-NRFANRHFSA-N 496.626 7.127 50 10 JKGE COC[C@]12C[C@]([C@H](Br)c3ccc(OCc4ccccc4)cc3Br)(CO1)C2 2336083203 IIDUMAYLICTAHH-NJDAHSKKSA-N 482.212 5.660 50 10 JKGE COc1cccc([C@@H](Br)c2ccc(OCc3ccccc3)cc2Br)c1C 2336083416 JYNMVKSQDASTKQ-JOCHJYFZSA-N 476.208 6.829 50 10 JKGE C[C@@H]1CCC[C@@H]([C@@H](Br)c2c(Cl)cc(Br)c(F)c2Br)O1 2337087675 BPWMKIDFRRUIRR-OUAIYISWSA-N 479.409 6.398 50 10 JKGE Fc1c(Br)cc(Cl)c([C@@H](Br)C23CC(CCO2)C3)c1Br 2337106538 IZEYUSAKBLYYEY-SKPUXYCPSA-N 477.393 6.009 50 10 JKGE Clc1cc(I)c([C@H](Br)[C@H]2C[C@@H]2C2CCCCCC2)s1 2338557103 RZVJVEGGOSXLBY-UHIISALHSA-N 473.645 7.049 50 10 JKGE Clc1ccc(CO[C@@H]2CCCCCC[C@H]2Br)c(I)c1 2340109319 DHRRIQZZJQQRIM-UKRRQHHQSA-N 457.577 5.948 50 10 JKGE Clc1cc(Br)c(CC(CBr)(CBr)c2ccccc2)s1 2345966624 XKFBFGAHIIURKY-UHFFFAOYSA-N 487.482 6.434 50 10 JKGE CCc1cc(Br)c(OC)c([C@@H](Cl)c2cscc2OCc2ccccc2)c1 2353038259 QMXVTVDFOSQQSK-HXUWFJFHSA-N 451.813 6.989 50 10 JKGE Fc1c(Br)cc(Cl)c([C@H](Br)[C@H]2COC3(CCC3)C2)c1Br 2362232438 OFXNIAXGUIYVHK-RDDDGLTNSA-N 491.420 6.399 50 10 JKGE CC(C)([C@@H]1CCCO1)[C@@H](Br)c1c(Cl)cc(Br)c(F)c1Br 2362253180 HWULKARJOCESHR-ZANVPECISA-N 493.436 6.645 50 10 JKGE Cc1cc(Br)c(F)c(Br)c1[C@H](Br)C1CC2(C1)CC2(F)F 2365224484 YUHOUDZMJIANIJ-OILJVLCYSA-N 476.956 6.531 50 10 JKGE Cc1cc(Br)c([C@@H](Cl)c2ccc(Cl)cc2I)c(C)c1F 2365594589 ABUASDHUOSBKMC-AWEZNQCLSA-N 487.965 6.791 50 10 JKGE F[C@@]12CCC[C@]1(CBr)CN(Cc1ccc(Cl)cc1I)C2 2366701488 JBVXWBLBSYOZNM-LSDHHAIUSA-N 472.567 5.034 50 10 JKGE ClCC1(Cc2ccc(I)c(Br)c2)CC2(C1)CC21CCC1 2377336072 YEVSSXLBCLZXNW-UHFFFAOYSA-N 465.600 6.176 50 10 JKGE CCc1cc(Br)c(OC)c([C@H](Br)c2scc(Br)c2C)c1 2381258240 OVOBNYGCDVKQET-ZDUSSCGKSA-N 483.063 6.637 50 10 JKGE CCSc1sccc1[C@H]1C(C#N)=C(N)N(c2ccc(CC)cc2)C2=C1C(=O)CC(C)(C)C2 9982353 KLNYHTWZZSVKOO-QFIPXVFZSA-N 463.672 6.363 50 10 JKGE CC[C@H](Oc1ccccc1[C@H](C)CC)C(=O)NNC(=O)c1ccccc1OCc1ccccc1 10683865 BCFVQPAMQMMZQZ-YKSBVNFPSA-N 460.574 5.398 50 10 JKGE C[C@@H](NC(=O)/C(C#N)=C\c1cn(-c2ccccc2)nc1-c1ccc(Cl)cc1)c1ccccc1 33407932 YAEOXZNALZZRAW-OSEFQUDUSA-N 452.945 5.977 50 10 JKGE N#C/C(=C\c1ccc(N2N=C(c3ccccc3)C[C@@H]2c2ccccc2)cc1)c1ccc(Cl)cc1Cl 33568767 LLVPCUOAGHELAA-NBLTXYOTSA-N 494.425 8.413 50 10 JKGE CC[C@@H]1[C@H](C)[C@@H](Nc2ccc(SC#N)cc2)c2ccccc2N1C(=O)c1ccc(C(C)C)cc1 33575779 HCLBIUVDGKKIDF-TUDQOENJSA-N 469.654 7.611 50 10 JKGE CCOC(=O)COc1ccc(/C=C(\C#N)c2nc(-c3ccc(Br)cc3)cs2)cc1OC 35519877 HWKFTKKIKOCZGV-LICLKQGHSA-N 499.386 5.587 50 10 JKGE COc1cc(/C=C(\C#N)c2nc(O)c3cc(Cl)ccc3n2)ccc1OCC(=O)Nc1ccccc1 35519951 PCZSBJXHHXTCLP-GZTJUZNOSA-N 486.915 5.079 50 10 JKGE CCc1ccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)COc4ccc(C(C)(C)C)cc4)ccc32)cc1 38677391 GECLKRMVGBQHRU-NDEPHWFRSA-N 482.580 5.749 50 10 JKGE O=C(NNc1ncnc(Nc2cccc(C(F)(F)F)c2)c1[N+](=O)[O-])c1cccc2ccccc12 40648744 CPKBNHATQQOOCC-UHFFFAOYSA-N 468.395 5.057 50 10 JKGE O=C(CC[C@@H](O)c1ccccc1)N/N=C\c1ccc(OCc2ccc(F)cc2)c(Br)c1 58887635 YKBYJLSWGDAPRL-RJNBOEKGSA-N 485.353 5.131 50 10 JKGE N#C/C(=C/c1ccccc1OCc1ccc(Cl)cc1Cl)C(=O)Nc1cccc(Cl)c1 59117120 WZOBRCCGMZTHKR-YVLHZVERSA-N 457.744 6.771 50 10 JKGE CCCCCOc1ccccc1C(=O)N/N=C1\C(=O)N(Cc2cccc3ccccc23)c2ccccc21 59159563 KYTLROCGCYJCRM-OVXWJCGASA-N 491.591 6.090 50 10 JKGE CCOC(=O)/C(C#N)=C\c1ccc(OC(=O)CCCOc2ccc(C(C)(C)C)cc2)c(OCC)c1 98027893 XOJHIGXYINHDQT-FXBPSFAMSA-N 479.573 5.617 50 10 JKGE CCOc1ccc(N2C(=O)[C@@H](Cc3ccccc3)S/C2=C(/C#N)C(=O)Nc2ccccc2)cc1 101244656 NWZPHIJJJMELBA-NLTRVXJZSA-N 469.566 5.150 50 10 JKGE Fc1cccc(Cl)c1C[C@@H](Br)c1cc(Br)sc1Br 109870076 ZDSAKLPOHXUACN-MRVPVSSYSA-N 477.418 6.744 50 10 JKGE CC1=C(C#N)C(=O)N(Cc2ccc3c(c2)OCO3)C(=O)/C1=C\c1ccc(OCc2ccc(C)cc2)cc1 214390145 XPEZRUDTCGPLTQ-MXAYSNPKSA-N 492.531 5.095 50 10 JKGE Brc1ccc(Br)c([C@@H](Br)[C@H]2CCc3ccccc3C2)c1 223603547 IUAMPYXZBYDQML-GUYCJALGSA-N 459.019 6.453 50 10 JKGE CCCOc1ccc([C@@H](Cl)c2csc(I)c2)cc1Br 229002191 PSLVVRSGJNXDIM-CQSZACIVSA-N 471.585 6.232 50 10 JKGE Cc1cc(Br)c([C@H](Br)c2cc(Cl)ccc2Br)s1 235821621 JSXHYVUGGDAYJI-LLVKDONJSA-N 459.428 6.719 50 10 JKGE O=C(NN=Cc1ccc(Sc2ncccn2)c([N+](=O)[O-])c1)c1cc(-c2ccco2)nc2ccccc12 254475148 KTLAIKVOXQRSFW-UHFFFAOYSA-N 496.508 5.108 50 10 JKGE CCCCCCCCOc1ccc(C=NNC(=O)c2ccccc2NC(=O)c2ccccc2C)cc1 254559264 TXTRLSWXSXGREB-UHFFFAOYSA-N 485.628 6.751 50 10 JKGE CC(=NNC(=O)c1ccc(OCC(=O)N2[C@H](C)CCC[C@H]2C)cc1)c1cccc(C(F)(F)F)c1 254817387 SYOADWSMKUOOLG-IAGOWNOFSA-N 475.511 5.028 50 10 JKGE Cl[C@H](c1ccccc1I)c1cc(I)cc2c1OCC2 302500624 LENUQYIKSIETTN-CQSZACIVSA-N 496.513 5.159 50 10 JKGE Fc1ccc(Br)c([C@H](Br)c2cc3c(cc2Br)OCC3)c1 308422006 YPDGOAXBUZNALD-OAHLLOKOSA-N 464.954 5.770 50 10 JKGE COc1ccc([C@@H](Br)c2cc(Br)ccc2OC)c(Br)c1 312309951 ZCOGZXBEWYCLKR-OAHLLOKOSA-N 464.979 5.713 50 10 JKGE C[C@@H](Br)C[C@@H]1CCCCN1C(=O)c1cc(Br)cc(Br)c1 312938880 HETMQWZMPFETLQ-YGRLFVJLSA-N 468.027 5.380 50 10 JKGE O=C(OCc1ccccc1)N1C[C@@H](CBr)[C@@H](c2ccc(Cl)cc2Br)C1 382687582 GSVZKVFDCFJZSA-PBHICJAKSA-N 487.619 5.850 50 10 JKGE Cc1cc([C@@H]2CN(C(=O)OC(C)(C)C)C[C@H]2CI)ccc1Br 382725742 QDVDRVFBTBYBLH-KGLIPLIRSA-N 480.184 5.143 50 10 JKGE CC(C)[C@H](CN(C)Cc1ccccc1)n1c(CCl)nc2cc(Br)c(F)cc21 397958861 CXXJKCHCBCGZTP-FQEVSTJZSA-N 452.799 6.006 50 10 JKGE CC(C)[C@@H](CN(C)Cc1ccccc1)n1c(CCl)nc2cc(I)c(F)cc21 397996540 STWHDYIXHAKMNB-HXUWFJFHSA-N 499.799 5.848 50 10 JKGE COc1cc(CC(CBr)(CBr)c2ccccc2Br)sn1 400594933 ZKILZMPJLSSSTG-UHFFFAOYSA-N 484.051 5.185 50 10 JKGE C=C1CC[C@H](O[Si](C)(C)C(C)(C)C)C/C1=C/C=C1/CCC[C@]2(C)[C@@H]1CC[C@@H]2[C@H](C)CCCC(C)C 504233580 DWIUSINKAVTSCC-POJTYOOPSA-N 498.912 10.649 50 10 JKGE CC(C)(C)OC(=O)Nc1ccccc1[C@H]1CCN(CCO[Si](C)(C)C(C)(C)C)CCO1 616595685 ORLMIJVDUUBBKT-OAQYLSRUSA-N 450.696 5.819 50 10 JKGE Cc1cc([C@@H](Br)c2scc(Br)c2Br)cc(C)c1F 705422212 AIBLLFQXAIZRJT-SNVBAGLBSA-N 457.000 6.513 50 10 JKGE Clc1ccc(Br)c(Oc2ccc(Br)cc2CBr)c1 708122962 YDUZLODKOMLLDZ-UHFFFAOYSA-N 455.371 6.552 50 10 JKGE C[C@@H](COCc1ccccc1)CC(CBr)(CBr)Cc1ccccc1 719446305 ZHMBBFZXTQFCHM-GOSISDBHSA-N 454.246 6.248 50 10 JKGE Cc1cccc(C[C@@H](Br)c2ccc(I)c(Br)c2)c1 721574231 XASRWPNTWWHTEO-CYBMUJFWSA-N 479.981 6.041 50 10 JKGE Cc1cc(Br)c([C@H](Br)C2C[C@@H](C)O[C@H](C)C2)cc1Br 724375320 DRIZUIKLVSICBB-IQMDTDKHSA-N 455.028 6.160 50 10 JKGE Cc1ccccc1CSCC(=O)NN=Cc1cc(C)n(-c2cccc(Cl)c2Cl)c1C 1083977285 CKWYVLNZDUZLOY-UHFFFAOYSA-N 460.430 6.093 50 10 JKGE COc1cc(/C=C(\C#N)c2ccc([N+](=O)[O-])cc2)cc(Br)c1OCc1ccccc1F 1084175222 DJEWKTDAOKWFLS-VCHYOVAHSA-N 483.293 6.148 50 10 JKGE Cc1cccc(NC(=O)/C(C#N)=C\c2cc(Br)ccc2OCc2ccccc2F)c1C 1084459963 PFCLSZJRRJABKT-NDENLUEZSA-N 479.349 6.330 50 10 JKGE O=C(NN=C(CSc1nc2ccccc2[nH]1)c1ccc(Br)cc1)c1cccc(Cl)c1 1084601400 MHXSJQSYOBDFEH-UHFFFAOYSA-N 499.821 5.905 50 10 JKGE CC(=O)Nc1ccc(C=NNC(=O)CSc2c(Cl)c(Cl)c(Cl)c(Cl)c2Cl)cc1 1084609206 AGQSCCATPHBTFG-UHFFFAOYSA-N 499.634 6.154 50 10 JKGE Cc1c(C(=O)N2c3ccc(F)cc3CC[C@H]2C)oc2c1C(=NNC(=O)c1cccs1)CCC2 1772748947 HNMLJSXGDVZQTQ-CQSZACIVSA-N 465.550 5.241 50 10 JKGE CCCOc1ccc(/C=N\NC(=O)c2ccc(-c3ccc4ccccc4c3)s2)cc1OCC 1860773880 ISOCNZPGUZEGAY-VEILYXNESA-N 458.583 6.520 50 10 JKGE N#CC1=C(N)Oc2c(c(-c3ccccc3)nn2Cc2c(F)cccc2Cl)[C@@H]1c1ccccc1Cl 1865686442 VSZIZIKTLPJSPD-JOCHJYFZSA-N 491.353 6.262 50 10 JKGE CCc1nn(-c2ccccc2)c2c1[C@H](c1ccc(OCCc3ccccc3)c(OC)c1)C(C#N)=C(N)O2 1865688168 LXDQMQOSBFJARN-HHHXNRCGSA-N 492.579 5.283 50 10 JKGE COc1ccc2ccccc2c1[C@@H]1C(C#N)=C(N)Oc2c1c(C(F)(F)F)nn2Cc1ccc(F)cc1 1865688266 OCJKTPJSHNFKMW-NRFANRHFSA-N 494.448 5.469 50 10 JKGE CCOc1cccc([C@@H]2C(C#N)=C(N)Oc3c2c(-c2ccc(OC)cc2)nn3Cc2cccc(F)c2)c1 1865690732 ZTUYLFRBFCVHSJ-RUZDIDTESA-N 496.542 5.363 50 10 JKGE CCCCCOc1ccc([C@H]2C(C#N)=C(N)Oc3c2c(-c2ccccc2)nn3CC)cc1OCC 1865691060 IGXZIQSHIMBBJS-DEOSSOPVSA-N 472.589 5.756 50 10 JKGE C=CCOc1ccccc1[C@H]1C(C#N)=C(N)Oc2c1c(C(F)(F)F)nn2Cc1ccc(Cl)cc1 1865691156 KSHURDYNIOBMSK-IBGZPJMESA-N 486.881 5.387 50 10 JKGE CCCn1nc(-c2ccccc2)c2c1OC(N)=C(C#N)[C@H]2c1ccc(OCc2ccc(C)cc2)cc1 1865694214 VWXLEIBUXNNYIU-AREMUKBSSA-N 476.580 6.066 50 10 JKGE CCCOc1cccc([C@@H]2C(C#N)=C(N)Oc3c2c(-c2ccccc2)nn3Cc2ccc(F)cc2)c1 1865694696 ZJUXKPRJIMCXAE-RUZDIDTESA-N 480.543 5.744 50 10 JKGE Cc1nn(-c2ccc(Cl)c(Cl)c2)c2c1[C@@H](c1ccccc1OC(C)C)C(C#N)=C(N)O2 1865704922 IAIGRWHGKOJPBU-NRFANRHFSA-N 455.345 5.493 50 10 JKGE COc1cc(NC(=O)c2ccccc2)c(OC)cc1NC(=O)/C(C#N)=C/c1cccc(Cl)c1 1866129695 GWIZTMXJEKOIFS-WOJGMQOQSA-N 461.905 5.155 50 10 JKGE CCCC[C@@H](NC(=O)C[C@@H](c1ccc(C)cc1)C(C)C)C(=O)Nc1ccc(SC#N)cc1 1866737026 QAYFEAMCLLKXEO-DNQXCXABSA-N 451.636 6.012 50 10 JKGE Cc1ccc([C@H](C(=O)N[C@H](C(=O)Nc2ccc(SC#N)cc2)c2ccccc2)C(C)C)cc1 1866961376 VAUSDASLQLLCAQ-RPBOFIJWSA-N 457.599 5.804 50 10 JKGE COc1ccc(C(=O)[C@H]2CCCN2c2cc(Nc3ccc(SC#N)cc3)nc(C(C)C)n2)cc1C 1868231241 ADMSRHMKRCSHQR-JOCHJYFZSA-N 487.629 6.086 50 10 JKGE COc1ccc(Cl)cc1N1C[C@@H](/C(O)=C(\C#N)c2nc(-c3ccc([N+](=O)[O-])cc3)cs2)CC1=O 1872747005 KAAAORGROCXYPZ-AEWZPABSSA-N 496.932 5.226 50 10 JKGE CCOc1ccc(-c2csc(/C(C#N)=C(\O)CNC(=O)c3ccc(Cl)cc3Cl)n2)cc1 1872747441 CXFYCQUHKQLAQN-JZJYNLBNSA-N 474.369 5.738 50 10 JKGE COc1ccc(C/C(O)=C(\C#N)c2nc(-c3cc(C(C)(C)C)ccc3OC)cs2)c(OC)c1 1872751419 HCTJMXYTIXBUCD-XDOYNYLZSA-N 464.587 6.169 50 10 JKGE COc1ccc(-c2csc(/C(C#N)=C(\O)[C@@H]3CC(=O)N([C@H](C)c4ccccc4)C3)n2)cc1Cl 1872757460 HJHJOQARDAHSFF-MJLSSAHJSA-N 479.989 5.874 50 10 JKGE COc1ccc(-c2csc(/C(C#N)=C(O)/C(=C\c3ccccc3)c3ccccc3)n2)c2ccccc12 1872758978 ZINCOJVRHIZPCI-IILLHPGHSA-N 486.596 8.005 50 10 JKGE COc1ccc(-c2csc(/C(C#N)=C(\O)C34CC5CC(CC(C5)C3)C4)n2)c(OC)c1OC 1872759788 ZTCFKZSZBVSRJH-NKFKGCMQSA-N 452.576 5.845 50 10 JKGE CCCCOc1c(Br)cc(/C=C(\C#N)c2nc(-c3ccc(OC)cc3)cs2)cc1OC 1872780755 KEAXFBNENHYAON-WOJGMQOQSA-N 499.430 6.833 50 10 JKGE BrCC1(Cc2c(Br)cccc2Br)CC2(CCCCC2)C1 1912552042 HABHFBFMZNHOIS-UHFFFAOYSA-N 465.067 6.880 50 10 JKGE CC(C)[C@@H](CBr)N(Cc1ccccc1)S(=O)(=O)c1cccc(C(F)(F)F)c1 1915302647 YWPIYFNSPCPHHY-GOSISDBHSA-N 464.347 5.316 50 10 JKGE CN(Cc1cc(Cl)ccc1Br)C[C@@H](Br)COCc1ccccc1 1916364564 NCOMUOKNYOJKOB-MRXNPFEDSA-N 461.625 5.515 50 10 JKGE Cl[C@H](c1sccc1Br)c1sc(Br)cc1Br 1922920534 IGFVVUDNWQCJHA-SSDOTTSWSA-N 451.430 6.425 50 10 JKGE Brc1cc(Br)c([C@H](Br)[C@@H]2C[C@@H]2c2ccccc2)s1 1922943031 UCCAUYTVJXZUED-GIPNMCIBSA-N 451.021 6.513 50 10 JKGE COc1cccc([C@H](Cl)c2c(Br)sc(Br)c2Br)c1C 1924609329 VZUVEAVGZXKGIT-NSHDSACASA-N 489.454 6.681 50 10 JKGE CCOc1ccc([C@@H](Br)c2csnc2Br)cc1Br 1925247836 MUEMXMOCLKMUAL-LLVKDONJSA-N 455.997 5.551 50 10 JKGE CON=C[C@@H](O[Si](C)(C)C)C(CO[Si](C)(C)C)(CO[Si](C)(C)C)O[Si](C)(C)C 1933278090 OKWPSPPSKQXZNS-QGZVFWFLSA-N 467.904 5.132 50 10 JKGE FC(F)(F)C1CC([C@@H](Br)c2cc(Br)c(Br)s2)C1 1948914064 ODZDLNGFGOFFEU-MPKXYMLHSA-N 456.947 6.298 50 10 JKGE COc1ccc(Br)cc1[C@H](Br)c1nc(C)sc1Br 2050330615 FLBSREZIHZAIJB-JTQLQIEISA-N 455.997 5.469 50 10 JKGE Brc1ccc([C@@H](Br)Cc2c(Br)cccc2Br)cc1 2050572352 WMTIJPQFGJTEOU-AWEZNQCLSA-N 497.850 6.653 50 10 JKGE Cc1cc(Br)c(CBr)c(N2C[C@@H]3CC[C@H](C2)N3Cc2ccccc2)c1 2053204195 XKXCMNBUASLRSP-HDICACEKSA-N 464.245 5.506 50 10 JKGE Brc1cc([C@H](Br)c2ccc3sncc3c2)sc1Br 2057032629 VXBILRKOYZYKBX-LLVKDONJSA-N 468.033 6.367 50 10 JKGE FC1(F)CCC([C@H](Cl)c2c(Br)sc(Br)c2Br)CC1 2057462025 WFTVCWQNAYHDOG-QMMMGPOBSA-N 487.429 7.141 50 10 JKGE Clc1cc([C@@H](Cl)c2ccc(Br)cc2Br)ccc1Br 2083331060 VTJPFFOETNQQMD-CYBMUJFWSA-N 473.817 6.956 50 10 JKGE Clc1ccc(I)c(CN2CC[C@@H]3C[C@@H](Br)CC[C@H]32)c1 2087663005 GORKKCBZIAUPOF-IFUGULHKSA-N 454.577 5.083 50 10 JKGE Fc1cc(CBr)cc(OCc2c(Br)cccc2Br)c1 2094090597 IXNZUTUEVTZQOR-UHFFFAOYSA-N 452.943 5.825 50 10 JKGE ClCc1ccc(Br)c(Cl)c1N1CC[C@H]2CC[C@@H](C1)N2Cc1ccccc1 2098116963 LODIXHUICOCGDP-MSOLQXFVSA-N 454.239 6.085 50 10 JKGE C[C@@]1(CBr)CC(F)(F)CN1Cc1ccc(Br)cc1Br 2102794959 NBIOJGJPYLTMFA-LBPRGKRZSA-N 461.970 5.206 50 10 JKGE C[C@@H](CCCCCI)NCc1ccc(Cl)c(Br)c1F 2117884135 WROCJBMDMROKJG-JTQLQIEISA-N 462.572 5.715 50 10 JKGE CN(Cc1cc(Br)ccc1Br)C[C@@H](Br)C1CCCC1 2118520016 PZIKUTOJESCPQF-OAHLLOKOSA-N 454.044 5.597 50 10 JKGE COc1c(C)cc(Br)cc1[C@@H](Cl)c1ccccc1I 2141640580 UVZOVZNWXHSLLV-AWEZNQCLSA-N 451.529 5.699 50 10 JKGE C[C@@H]1CCO[C@H]1CCC(CBr)(CBr)c1ccc(Br)cc1 2157325221 CDEZBOXBPDFQQH-DOMZBBRYSA-N 469.055 5.682 50 10 JKGE Fc1ccc2nc(CCl)n([C@H]3CCCN(Cc4ccccc4)CC3)c2c1Br 2160558040 GMALLEAPTMEENJ-INIZCTEOSA-N 450.783 5.904 50 10 JKGE CC[C@@H]1CN(C(=O)c2ccc(CBr)cc2)[C@H](CC)CN1C(=O)OCc1ccccc1 2162916152 PXPOFMJYRDARLT-FGZHOGPDSA-N 473.411 5.233 50 10 JKGE Fc1c(COc2ccc(Br)cc2CBr)ccc(Cl)c1Br 2166831900 MACSQEULILFPMX-UHFFFAOYSA-N 487.388 6.478 50 10 JKGE COc1c(Cl)cc(Br)cc1[C@H](Br)c1ccc(Br)c(F)c1 2203003108 QOFPOLLUCDCLGL-CYBMUJFWSA-N 487.388 6.497 50 10 JKGE Cc1c(Br)ccc([C@@H](Br)C2(C(F)(F)F)CCCC2)c1Br 2203703784 KPPPRALCDLUXEM-GFCCVEGCSA-N 478.972 7.079 50 10 JKGE C[C@]1([C@H](Br)c2cc(Br)c(Br)cc2F)C[C@@H]1C(F)(F)F 2225615657 KEEUCBNEHAGFCW-AXFHLTTASA-N 468.908 6.375 50 10 JKGE CCO[C@@H]1CC[C@H]([C@H](Br)c2cc(Br)c(Br)cc2F)C1 2225617294 NVHHZKWQYAKWAO-QIBSRJKCSA-N 458.991 5.992 50 10 JKGE Cc1cc(Br)c([C@H](Br)[C@@H]2CCC[C@@H]3C[C@@H]32)c(C)c1Br 2227359472 ILBVSUFSSDLFPS-LSSIXWDNSA-N 451.040 6.701 50 10 JKGE Cc1sc([C@H](Br)c2cc(Br)c(Br)cc2F)c(C)c1C 2228579759 NFEMQIFYLLOUFV-CYBMUJFWSA-N 471.027 6.822 50 10 JKGE CC1(C)CCCC[C@H]1[C@@H](Br)c1c(Br)cc(Cl)c(Cl)c1Cl 2232514364 UUPKYXUEUJAHAF-QPUJVOFHSA-N 463.468 8.062 50 10 JKGE Cc1cccc([C@H](Br)c2c(Br)cc(Cl)c(Cl)c2Cl)c1F 2232514510 VKSIUPJVDLOUMU-NSHDSACASA-N 461.383 7.341 50 10 JKGE C[C@H](Cl)c1nc2c(F)cc(Br)cc2n1[C@H]1CN(Cc2ccccc2)C[C@H]1C 2232915838 ISUYLDRNZSOEMM-TYILLQQXSA-N 450.783 5.931 50 10 JKGE COc1cc(C)c(Br)cc1[C@@H](Br)c1sc(C)c(Br)c1C 2234468246 FREZRMVCKFTMPX-CQSZACIVSA-N 483.063 6.691 50 10 JKGE Cc1cc([C@@H](Br)c2c(Br)cc(C)c(Br)c2C)ccc1F 2235605048 QCUIKCBBOPSFHE-MRXNPFEDSA-N 464.998 6.760 50 10 JKGE COc1cc(Br)c([C@H](Br)Cc2ccccc2Br)cc1C 2236013002 DIQYECFTUDGSQV-CQSZACIVSA-N 463.007 6.207 50 10 JKGE Fc1cc(F)c([C@H](Br)c2c(F)cccc2Br)c(F)c1Br 2236106387 CUTUHYQTXJVJPJ-GFCCVEGCSA-N 476.887 6.252 50 10 JKGE CCN(C[C@@](C)(CBr)OCC1(C)CC2(CC(F)(F)C2)C1)C(=O)OC(C)(C)C 2238840548 WVCXSKVGCRSOKA-GOSISDBHSA-N 454.396 5.629 50 10 JKGE Cc1sc([C@H](Br)Cc2ccccc2Br)c(Br)c1C 2253475426 YILXSNSUFJHXLN-GFCCVEGCSA-N 453.037 6.569 50 10 JKGE CCc1nc([C@H](Br)c2sc(C)c(C)c2Br)c(Br)s1 2253495988 KQYMNJMQKRWJFI-VIFPVBQESA-N 474.081 6.393 50 10 JKGE COc1ccc([C@H](Cl)c2ccc(OCc3ccccc3)cc2)cc1I 2257367890 DMJALBFEYGECFZ-OAQYLSRUSA-N 464.730 6.207 50 10 JKGE Fc1cc([C@@H](Br)Cc2ccncc2Br)c(Cl)cc1Br 2267763202 KFXAKBKMYXQBFC-VIFPVBQESA-N 472.377 6.078 50 10 JKGE Fc1cccc([C@@H](Br)c2ccc(C3CCC3)s2)c1I 2271973887 ORWCPAYZGYBZEK-CQSZACIVSA-N 451.142 6.244 50 10 JKGE CC[C@H]([C@@H](Br)c1c(F)cc(Br)c(F)c1Br)C(C)(F)F 2272726517 OXKDYFZDZFUEMJ-MLUIRONXSA-N 470.924 6.607 50 10 JKGE CCCN[C@H](c1c(F)cc(Br)c(F)c1Br)[C@@H]1C[C@H]1Br 2272746928 DIIWCPBWCCFZFZ-FWXDICJISA-N 461.970 5.314 50 10 JKGE Fc1cc(Br)c(F)c(Br)c1[C@H](Br)C1(C(F)(F)F)CC1 2272855868 PCXRAZPLTWBUTR-VIFPVBQESA-N 472.871 6.268 50 10 JKGE C[C@@H]1CCC[C@H](CCOc2c(Br)cc(Br)cc2CBr)C1 2279845052 KYMGSXPKSQOPIK-VXGBXAGGSA-N 469.055 6.702 50 10 JKGE Clc1ccc([C@H](Br)Cc2ccc3c(c2)CCO3)cc1I 2283618713 IMORZZJUBLJVEN-CYBMUJFWSA-N 463.540 5.558 50 10 JKGE C=CC[C@]1(CBr)CCCN1C(=O)c1ccc(Br)cc1Br 2287756794 ZFIUYTYRKTXJMP-OAHLLOKOSA-N 466.011 5.157 50 10 JKGE N#CC(=CNc1cccc(Cl)c1Cl)c1nc(-c2ccc(Br)cc2)cs1 2295891559 MBLPOGDUEARJPO-UHFFFAOYSA-N 451.176 6.856 50 10 JKGE CCOc1ccc(-n2c(SCC(=O)NN=CC(C)=Cc3ccco3)nnc2-c2ccccc2)cc1 2296012241 PNJJULXZRJGQRA-UHFFFAOYSA-N 487.585 5.224 50 10 JKGE C[C@H](CC(C)(C)C)[C@H](Br)c1ccc(OCc2ccccc2)cc1Br 2299502967 AXKNSWTZBYEIME-QRWLVFNGSA-N 454.246 7.536 50 10 JKGE COc1cc(C=C(C#N)C(=O)N[C@@H](C)c2ccccc2)ccc1OCc1ccc(Cl)cc1Cl 2313724566 JHDXIGUZXWCVLQ-KRWDZBQOSA-N 481.379 6.365 50 10 JKGE CCOc1ccc(N2C(=O)[C@@H](Cc3ccc(C)cc3)SC2=C(C#N)C(=O)Nc2cccc(C)c2)cc1 2314592256 PAFBMJCIVDYWPY-AREMUKBSSA-N 497.620 5.767 50 10 JKGE CCc1ccc(N2C(=O)[C@@H](Cc3ccccc3F)SC2=C(C#N)C(=O)N[C@H](C)c2ccccc2)cc1 2314593152 IHNIYADEBSZMPF-NIYFSFCBSA-N 499.611 5.692 50 10 JKGE COc1ccc(CCN2C(=O)C(=Cc3ccc(OCc4ccc(F)cc4)cc3)C(C)=C(C#N)C2=O)cc1 2314620159 KYQNIIHNEJNKHM-UHFFFAOYSA-N 496.538 5.248 50 10 JKGE CCO[C@@H]1C[C@@H]1[C@H](Br)c1c(Cl)cc(Br)c(F)c1Br 2315436005 IVLQYSXKBXEZJH-LWELHUNNSA-N 465.382 5.865 50 10 JKGE COc1cc([C@@H](Br)c2cc(Br)ccc2Br)sc1Cl 2317955473 OFZFJGBILWSXFV-NSHDSACASA-N 475.427 6.419 50 10 JKGE CCOc1cc(C(=O)Oc2ccc(C=C(C#N)c3ccccc3)cc2OC)cc(OCC)c1OCC 2320506118 CAEQNEBWWUPHCX-UHFFFAOYSA-N 487.552 6.175 50 10 JKGE Cc1ccc(NC(=O)C(C#N)=Cc2ccc(Br)cc2)c(-c2cc(F)ccc2O)c1 2329662950 VTDUKDVKFAGPRP-UHFFFAOYSA-N 451.295 5.815 50 10 JKGE CCOc1ccc(CCC(O)=C(C#N)c2nc(-c3ccc(-c4ccccc4)cc3)cs2)cc1OC 2331232745 VYFQYLOMDYDLQV-UHFFFAOYSA-N 482.605 7.310 50 10 JKGE Cc1nc2ccc(C(O)=C(C#N)c3nc(-c4ccc(Cl)cc4Cl)cs3)cc2nc1C 2331254750 WXMOBOCHQOWLMF-UHFFFAOYSA-N 453.354 6.627 50 10 JKGE COc1ccc(C=C(C(O)=C(C#N)c2nc(-c3ccc(OC)c(C)c3)cs2)c2ccccc2)cc1 2331259338 RBAPNFGIATYLNP-UHFFFAOYSA-N 480.589 7.169 50 10 JKGE CC(C)c1ccc(C=CC(O)=C(C#N)c2nc(-c3ccc(Br)cc3)cs2)cc1 2331260661 XDZXGHLITKOSBH-UHFFFAOYSA-N 451.389 7.202 50 10 JKGE COc1ccc(-c2csc(C(C#N)=C(O)c3cc([N+](=O)[O-])c(C)c([N+](=O)[O-])c3)n2)cc1F 2331337615 NBXJYEGZOKFIPA-UHFFFAOYSA-N 456.411 5.033 50 10 JKGE COc1cc(C)c(-c2csc(C(C#N)=C(O)c3ccc(Cl)c(Cl)c3)n2)cc1C(C)C 2331352093 CLTJPKYSGYORHG-UHFFFAOYSA-N 459.398 7.507 50 10 JKGE CCOC(=O)Oc1ccc(C(O)=C(C#N)c2nc(-c3cc(C(C)C)c(OC)cc3C)cs2)cc1 2331352118 HKHFPQXJCAFQET-UHFFFAOYSA-N 478.570 6.736 50 10 JKGE COc1ccc(-c2csc(C(C#N)=C(O)c3ccccc3I)n2)c(C)c1C 2331362619 AXBLGUABFBSMSN-UHFFFAOYSA-N 488.350 5.990 50 10 JKGE COc1cc(-c2csc(C(C#N)=C(O)C=Cc3ccc4c(c3)OCCO4)n2)c(OC)cc1Cl 2331376952 OMPYDTNGAWPLCE-UHFFFAOYSA-N 482.945 5.758 50 10 JKGE COc1ccc(-c2csc(C(C#N)=C(O)c3cccc(Oc4ccccc4)c3)n2)cc1Cl 2331398356 LUMXWTKLLNDNCH-UHFFFAOYSA-N 460.942 7.214 50 10 JKGE CCc1ccccc1OCC(O)=C(C#N)c1nc(-c2ccc(OC)c(OC)c2OC)cs1 2331413876 RWSBEHLXCHRTER-UHFFFAOYSA-N 452.532 5.270 50 10 JKGE COc1ccc(-c2csc(C(C#N)=Cc3ccc(OCCc4ccccc4)c(OC)c3)n2)cc1OC 2331417286 CKXWHEQEHMIGQG-UHFFFAOYSA-N 498.604 6.522 50 10 JKGE CCOc1ccc(OCC)c(-c2csc(C(C#N)=Cc3cc(Br)ccc3F)n2)c1 2331470761 IFNOHVHIRVUPMN-UHFFFAOYSA-N 473.367 6.573 50 10 JKGE Fc1ccccc1[C@H](Br)c1c(Cl)cc(Br)c(F)c1Br 2337087646 BIAADZWYGXYRKU-NSHDSACASA-N 475.352 6.628 50 10 JKGE CCC1(CC)[C@@H](Br)C[C@@H]1OCc1cc(Br)cc(Br)c1 2337109266 NZYWNUSVZWRIIZ-KBPBESRZSA-N 455.028 6.070 50 10 JKGE COc1c(Br)cc(C)c([C@@H](Br)CC2(F)CCC2)c1Br 2339659537 TZJHHASJIRNJAA-JTQLQIEISA-N 458.991 6.247 50 10 JKGE CCc1occc1[C@@H](Br)c1c(C)cc(Br)c(F)c1Br 2339674224 IWSZRPKQFVFMAX-GFCCVEGCSA-N 454.959 6.299 50 10 JKGE Clc1cc(Cl)cc(CC[C@@H](Cl)c2sc(Cl)cc2I)c1 2341115990 FEKAGDZSZXUEJN-SNVBAGLBSA-N 465.998 7.226 50 10 JKGE Brc1cc(OCc2ccccc2)ccc1[C@@H](Br)[C@@H]1COc2ccccc2O1 2361200821 MZXNIMXKZNWRBY-FCHUYYIVSA-N 490.191 6.304 50 10 JKGE CC(C)(C)OC(=O)NCC[C@@H]1CCN(CC2(CBr)CCC2)[C@@H](C(F)(F)F)C1 2362812518 BTMSFXJAKQYELA-HUUCEWRRSA-N 457.375 5.109 50 10 JKGE Cc1cc(Br)c(C)c([C@H](Br)[C@@H]2CC[C@H]2C(C)(C)C)c1Br 2369230250 OEAIXXLIQQKVPG-XHBSWPGZSA-N 467.083 7.337 50 10 JKGE O=C(/C=C\c1ccccc1[N+](=O)[O-])NNC(=O)c1ccc(CSc2ccc(Cl)cc2)cc1 4489440 SYVDENBJKMBMRP-ZROIWOOFSA-N 467.934 5.015 50 10 JKGE N#C/C(=C\c1cn(-c2ccccc2)nc1-c1ccc(OCc2ccccc2)cc1)c1nc2ccccc2[nH]1 33385780 FNNLMZJWJSGQGZ-NCELDCMTSA-N 493.570 7.059 50 10 JKGE COc1cccc(/C=C(\C#N)c2nc3ccccc3s2)c1OCc1c(F)cccc1Cl 33472974 GPUIKWWTRYMJDW-FOWTUZBSSA-N 450.922 6.741 50 10 JKGE COc1ccccc1NC(=O)/C(C#N)=C\c1ccc(N2N=C(c3ccccc3)C[C@H]2c2ccccc2)cc1 33568748 ODTFTOQCMNGDSR-GDZDTEGPSA-N 498.586 6.597 50 10 JKGE COc1ccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)COc4ccc(C(C)(C)C)cc4)ccc32)cc1 38650371 OEMNWUHNQYIQEE-HHHXNRCGSA-N 484.552 5.195 50 10 JKGE O=C(NNc1ncnc(Oc2ccc3ccccc3c2)c1[N+](=O)[O-])c1ccc(Cl)cc1Cl 40586662 HBVBPDLAZHHOKN-UHFFFAOYSA-N 470.272 5.394 50 10 JKGE Cc1cccc(C(=O)N/N=C2\CCCc3oc(C(=O)Nc4ccc(C)cc4Br)c(C)c32)c1 40811410 GHCMIEVKLPQIPK-VFCFBJKWSA-N 494.389 5.690 50 10 JKGE Cc1c(C(=O)Oc2ccc(F)cc2)oc2c1/C(=N/NC(=O)c1ccc(Br)cc1)CCC2 40811837 JDOWSZCGBPPHOT-NLRVBDNBSA-N 485.309 5.179 50 10 JKGE COc1ccccc1C(=O)N/N=C1\CCCc2oc(C(=O)Nc3cccc(C(F)(F)F)c3)c(C)c21 40813204 YVRKTASSTUCZHM-UXHLAJHPSA-N 485.462 5.338 50 10 JKGE COc1ccc(/C=C(\C#N)C(=O)Oc2ccc(/C=C(\C#N)c3ccc(Cl)cc3)cc2OC)cc1 40864685 XLVCNSKVRPIGNI-ZEXDNOMMSA-N 470.912 5.934 50 10 JKGE COc1cc(/C=N/NC(=O)COc2cc(C)cc(C)c2)ccc1OCc1c(Cl)cccc1Cl 40911600 KZYSHUNCKRQAAC-XODNFHPESA-N 487.383 5.727 50 10 JKGE C#CCOc1c(Cl)cc(/C=N/NC(=O)c2cc3cc(Br)ccc3o2)cc1Cl 59304073 BEFDNRVNOUTXQH-AUEPDCJTSA-N 466.118 5.278 50 10 JKGE Fc1cc(Br)c(Cl)cc1[C@@H](Br)c1ccccc1Br 97895911 SAOZKGGUXDEKTD-ZDUSSCGKSA-N 457.362 6.488 50 10 JKGE CCOC(=O)c1ccc(-c2ccc(/C=C(/C#N)c3nc(O)c4c5c(sc4n3)C[C@@H](C)CC5)o2)cc1 97990711 GJUIBNFBNNIMKF-LUJRCDHRSA-N 485.565 6.023 50 10 JKGE CC1=C(C#N)C(=O)N(C2CCCCC2)C(=O)/C1=C/c1cn(-c2ccccc2)nc1-c1ccc(F)cc1 101338851 IEZCOPGPUHXBEJ-PCLIKHOPSA-N 480.543 5.603 50 10 JKGE CC[C@H](C)[C@@H](c1ccccc1)[C@H](Br)c1cc(Br)sc1Br 109869888 GNVAUDFLRIMIRY-NZVBXONLSA-N 481.091 7.539 50 10 JKGE CCOCCCN1C(=O)C(C#N)=C(C)/C(=C/c2cn(-c3ccccc3)nc2-c2cc(C)ccc2C)C1=O 214296141 UWVCHYZQFGRVQI-ONUIUJJFSA-N 494.595 5.175 50 10 JKGE CCCOc1ccc([C@@H](Cl)c2ccc(I)cc2)cc1Br 229003203 OQNTWJFWJOGBDC-INIZCTEOSA-N 465.556 6.171 50 10 JKGE CCc1ccc([C@@H](Br)c2cc(Br)sc2Br)cc1CC 234195228 AJXBSSJNAGYXPT-CQSZACIVSA-N 467.064 6.882 50 10 JKGE Cc1cc([C@H](Br)c2ccc(Cl)cc2Br)c(C)cc1Br 235861961 BDCTYVPJQMGVJV-OAHLLOKOSA-N 467.426 6.966 50 10 JKGE Cc1ccc(-c2nn(-c3ccccc3)cc2C=NNC(=O)COc2ccc(Cl)cc2Cl)cc1 252630644 VBYRTUCACOIXCF-UHFFFAOYSA-N 479.367 5.684 50 10 JKGE COc1cc(C=NNC(=O)COc2ccc(-c3ccccc3)cc2)ccc1OC(=O)c1ccc(C)cc1 254382184 QQFNTJOTPHHMHI-UHFFFAOYSA-N 494.547 5.419 50 10 JKGE O=C(NN=Cc1cn(-c2ccccc2)nc1-c1cc2ccccc2oc1=O)c1ccccc1Cl 254391743 ULOXDOBTIIHYRQ-UHFFFAOYSA-N 468.900 5.063 50 10 JKGE CCN(CC)c1ccc(/C=C(/NC(=O)c2ccccc2)C(=O)NN=C(C)/C=C\c2ccccc2)cc1 254445195 WRMYWRFCBHNNIB-KMAAZOSPSA-N 480.612 5.509 50 10 JKGE COc1ccccc1/C=C\C=NNC(=O)c1cc(-c2ccc(OCc3ccccc3)cc2)n[nH]1 254741949 GWGVJSQNTXMJST-HQHXBPHZSA-N 452.514 5.093 50 10 JKGE Brc1ccc(Br)c([C@@H](Br)C(C2CCC2)C2CCC2)c1 312033692 YZHAWASVSAYWGS-MRXNPFEDSA-N 451.040 6.864 50 10 JKGE CN(C[C@@H]1CCN(Cc2ccccc2)C1)c1ccc(CBr)cc1Br 383119355 FHEANQVSBUYFLM-SFHVURJKSA-N 452.234 5.302 50 10 JKGE Cc1cccc(CBr)c1OCc1cc(Cl)ccc1I 405303518 OXPWKQCDTPTCTD-UHFFFAOYSA-N 451.529 5.727 50 10 JKGE Clc1ccc(I)c(CN(CCBr)C2CCCCC2)c1 405313504 VPBLNYPOTYFICT-UHFFFAOYSA-N 456.593 5.474 50 10 JKGE CC(C)(C)[Si](C)(C)OCCN1CCCOC[C@H]1c1ccccc1CO[Si](C)(C)C(C)(C)C 616596572 AUHHORDFSZEYTQ-DEOSSOPVSA-N 479.854 6.994 50 10 JKGE CC(C)(C)OC(=O)N1C[C@@H](c2cccc(CO[Si](C)(C)C(C)(C)C)c2)Nc2ccccc21 616691294 ZSRMCFZZJKIRIM-QFIPXVFZSA-N 454.687 7.117 50 10 JKGE CCc1nnc(CC(CBr)(CBr)c2ccccc2Br)s1 702676638 IGZLVDQXCJSZLZ-UHFFFAOYSA-N 483.067 5.133 50 10 JKGE CO[C@](C)(COCc1ccccc1)Cn1c(CCl)nc2ccc(F)c(Br)c21 702790902 QPZMBQDKSAJBBV-FQEVSTJZSA-N 455.755 5.299 50 10 JKGE COCc1cc(Br)c([C@H](Cl)c2ccc(I)c(Cl)c2)s1 710873844 HTRVLIQAYVZBQW-GFCCVEGCSA-N 492.003 6.243 50 10 JKGE Fc1cc(Br)cc(CBr)c1OCc1ccsc1Br 715719844 VFCMZINIIMHPNC-UHFFFAOYSA-N 458.972 5.886 50 10 JKGE FC(F)(F)c1cc([C@H](Br)c2cc(Br)ccc2Br)cs1 718849601 ZIMLUDNKRLGCPV-NSHDSACASA-N 478.953 6.776 50 10 JKGE Fc1cc(C[C@@H](CBr)Cc2cccc(Br)c2)ccc1Br 722016818 RTDZPGPTIRQNIF-ZDUSSCGKSA-N 464.998 6.147 50 10 JKGE COc1ccc(CC(=O)NN=Cc2cc(C)n(-c3cc(Cl)ccc3Cl)c2C)cc1OC 1083852005 KTMWOKNAQVTTKW-UHFFFAOYSA-N 460.361 5.111 50 10 JKGE N#C/C(=C/c1cccc(OCc2ccccc2Cl)c1)C(=O)Nc1cccc(Cl)c1Cl 1083918911 AWAZTOGXNAHKNV-BOPFTXTBSA-N 457.744 6.771 50 10 JKGE N#C/C(=C/c1cn(Cc2ccccc2F)c2ccc(Br)cc12)C(=O)NCc1cccs1 1083927805 BBXPWINRRHMIMB-YVLHZVERSA-N 494.389 5.876 50 10 JKGE CC(=O)NN=Cc1cc(-c2ccccc2)n(-c2ccc(Br)cc2)c1-c1ccccc1 1083966876 KDYQXWUREDRPEB-UHFFFAOYSA-N 458.359 6.044 50 10 JKGE Cc1cccc(C=NNC(=O)c2ccc(CN(c3cccc(Cl)c3Cl)S(C)(=O)=O)cc2)c1 1084499893 SZXYFGGEFMXANB-UHFFFAOYSA-N 490.412 5.032 50 10 JKGE COc1ccc(NC(=O)/C(C#N)=C\c2cc(Cl)ccc2OCc2ccc(Br)cc2)cc1 1084506109 AYRVPLLKHBVICA-PDGQHHTCSA-N 497.776 6.236 50 10 JKGE O=C(NN=Cc1c(OC(=O)c2sc3ccccc3c2Cl)ccc2ccccc12)c1ccccc1 1084620333 GUOBCLPQKLKLKM-UHFFFAOYSA-N 484.964 6.691 50 10 JKGE COc1ccc(C(=O)NN=Cc2c(Br)c(C)n(-c3c(C)cccc3C)c2C)cc1 1084631010 IUYGWVAIGLUJDX-UHFFFAOYSA-N 454.368 5.246 50 10 JKGE Cc1ccc(NC(=O)c2oc3c(c2C)C(=NNC(=O)c2ccc(-c4ccccc4)cc2)CCC3)cc1C 1772747391 OBXXVINVLZXUEG-UHFFFAOYSA-N 491.591 6.595 50 10 JKGE O=C(CSc1nc(-c2ccc(Cl)cc2)cs1)NN=Cc1cc(Br)ccc1O 1772754979 DQFNKJQMWVGMIU-UHFFFAOYSA-N 482.812 5.174 50 10 JKGE COc1ccc2ccccc2c1C=NNC(=O)CSc1nc(-c2ccc(Cl)cc2)cs1 1772755010 GNUCRSBLAYYEQO-UHFFFAOYSA-N 468.003 5.868 50 10 JKGE N#CSc1ccc(NC(=O)Oc2ccc(CNC(=O)Cc3ccc(Br)cc3)cc2)cc1 1858909657 VAOWZYIYBHVXKD-UHFFFAOYSA-N 496.386 5.492 50 10 JKGE CCCCCCc1ccc(S(=O)(=O)NNC(=O)c2ccc(-c3ccc4ccccc4c3)s2)cc1 1860405507 NNELNPZXWCULSL-UHFFFAOYSA-N 492.666 6.314 50 10 JKGE COc1ccc(-n2nc(-c3ccccc3)c3c2OC(N)=C(C#N)[C@H]3c2ccc(C(C)(C)C)cc2)cc1 1865682662 UYEAQEPTJVLGGL-RUZDIDTESA-N 476.580 6.064 50 10 JKGE CCc1nn(-c2ccc(Br)cc2)c2c1[C@@H](c1ccc(Cl)cc1)C(C#N)=C(N)O2 1865683743 OEVQZMKCBORCIG-SFHVURJKSA-N 455.743 5.069 50 10 JKGE COc1ccc(-c2nn(-c3cccc(Cl)c3)c3c2[C@@H](c2ccccc2Cl)C(C#N)=C(N)O3)cc1 1865685546 KFAHPUTUKVCSKC-QFIPXVFZSA-N 489.362 6.073 50 10 JKGE CCCc1nn(-c2ccccc2Cl)c2c1[C@H](c1ccc(Cl)cc1Cl)C(C#N)=C(N)O2 1865686613 XRESBRDMRMAIFK-LJQANCHMSA-N 459.764 6.003 50 10 JKGE N#CC1=C(N)Oc2c(c(-c3ccccc3)nn2Cc2ccccc2Cl)[C@H]1c1ccc2c(c1)OCCO2 1865697936 GJOVDUYDMYBSAT-DEOSSOPVSA-N 496.954 5.241 50 10 JKGE Cn1cc([C@@H]2C(C#N)=C(N)Oc3c2c(C(F)(F)F)nn3-c2cccc(Cl)c2)c2ccccc21 1865699107 KQDHMGDBOFOMFH-SFHVURJKSA-N 469.854 5.254 50 10 JKGE CCN(CC)c1ccc([C@@H]2C(C#N)=C(N)Oc3c2c(-c2ccc(OC)cc2)nn3-c2ccccn2)cc1 1865701732 CZPWLWGXRDFKOO-RUZDIDTESA-N 492.583 5.007 50 10 JKGE CCCOc1ccccc1[C@H]1C(C#N)=C(N)Oc2c1c(CC)nn2Cc1c(F)cccc1Cl 1865703625 XHFZWRDQNBGWGV-QFIPXVFZSA-N 466.944 5.293 50 10 JKGE CCCc1nn(CC)c2c1[C@H](c1c(OCc3ccccc3)ccc3ccccc13)C(C#N)=C(N)O2 1865704235 QYMSETJWIRRPPW-SANMLTNESA-N 464.569 5.806 50 10 JKGE CCn1nc(-c2ccc(OC)cc2)c2c1OC(N)=C(C#N)[C@H]2c1ccc(OC(=O)c2ccccc2)cc1 1865705453 WEFGICBOBBMHQK-XMMPIXPASA-N 492.535 5.016 50 10 JKGE Cc1ccc(-c2nc(Nc3ccc(C(=O)Oc4ccc([N+](=O)[O-])c(F)c4)cc3)sc2C)cc1C 1865789184 XLGWVGUFUCGLIC-UHFFFAOYSA-N 477.517 6.745 50 10 JKGE COc1cccc([C@H](C)CC(=O)N[C@@H](Cc2ccc(F)cc2)C(=O)Nc2ccc(SC#N)cc2)c1 1867107481 NZQNSAQCWXJSJF-CJAUYULYSA-N 491.588 5.267 50 10 JKGE CCCc1nc(Nc2ccc(SC#N)cc2)cc(N2CC(=O)N3CC(C)(C)c4ccccc4[C@H]3C2)n1 1868388917 OXBUBVKZGIMFNB-HSZRJFAPSA-N 498.656 5.427 50 10 JKGE N#C/C(=C\c1ccccc1OCc1ccc(Br)cc1)c1nc(O)c2ccccc2n1 1872726801 LWZOIELKEWFYJF-QGOAFFKASA-N 458.315 5.741 50 10 JKGE CCOc1cc(/C=C(\C#N)c2cc3c(cc2[N+](=O)[O-])OCCO3)ccc1OCc1ccccc1Cl 1872728786 TZPRVWLUXVUGDC-YBFXNURJSA-N 492.915 6.061 50 10 JKGE CCOc1cc(/C(O)=C(\C#N)c2nc(-c3ccc4c(c3)CCCC4)cs2)cc(OCC)c1OCC 1872745660 XKMPOTBGHDVZIT-ROMGYVFFSA-N 490.625 6.835 50 10 JKGE N#C/C(=C(/O)c1ccc(N2COc3ccc4ccccc4c3C2)cc1)c1nc(-c2ccccc2)cs1 1872748260 PUADMJFSZXIXQG-GNVQSUKOSA-N 487.584 7.270 50 10 JKGE Cc1ccc(C)c(N2C(=O)c3ccc(/C(O)=C(\C#N)c4nc(-c5cccs5)cs4)cc3C2=O)c1 1872750343 GNQRKGXNSSPZAE-NMWGTECJSA-N 483.574 6.239 50 10 JKGE COc1cc(C)c(-c2csc(/C(C#N)=C(\O)c3ccc4nc(C)c(C)nc4c3)n2)cc1C(C)C 1872754030 ZBJRAWJVLAAHLK-QLYXXIJNSA-N 470.598 6.760 50 10 JKGE CCOc1ccc(OCC)c(-c2csc(/C(C#N)=C(\O)c3ccc(N(C)C)c([N+](=O)[O-])c3)n2)c1 1872754903 OMAYWYCKCLZOJZ-NKFKGCMQSA-N 480.546 5.532 50 10 JKGE Cc1ccc(C(C)(C)C)cc1-c1csc(/C(C#N)=C(\O)CN2C(=O)c3ccccc3C2=O)n1 1872756346 XZDJJDGRYHHRPH-XDOYNYLZSA-N 457.555 5.505 50 10 JKGE COc1cc(/C=C(\C#N)c2nc(-c3ccc4c(c3)OCCO4)cs2)ccc1OCCc1ccccc1 1872791899 XHDIGJIOZRUSJQ-HZHRSRAPSA-N 496.588 6.276 50 10 JKGE CCCOc1c(/C=C(\C#N)c2nc(-c3cc(Cl)c(OC)c(Cl)c3)cs2)cccc1OC 1872794446 BVFIRWQYRIIZFJ-CXUHLZMHSA-N 475.397 6.987 50 10 JKGE N#CCC(=O)N/N=C/c1cn(-c2ccccc2)nc1-c1ccc(OCc2ccc(Cl)cc2)cc1 1873498755 HKRLUOBCWLDTDI-MUFRIFMGSA-N 469.932 5.135 50 10 JKGE CCc1nn(C)c([C@@H](Br)c2cc(Br)c(OC)s2)c1Br 1877185874 KMOVOJHPDVYPGZ-JTQLQIEISA-N 473.028 5.062 50 10 JKGE C[C@H]1CC[C@H](COc2c(Br)cc(Br)cc2CBr)CC1 1878255037 PTMAGRMZWDWYGG-XYPYZODXSA-N 455.028 6.312 50 10 JKGE COC1(C(F)(F)[C@@H](Br)c2cc(Br)sc2Br)CCC1 1912499465 DPTNNSRKTKXIPG-QMMMGPOBSA-N 468.983 5.914 50 10 JKGE C[C@H](CCCl)N(Cc1ccccc1)C(=O)c1ccc(Br)cc1Br 1915091788 BVKUJNVSINYAPR-CYBMUJFWSA-N 459.609 5.871 50 10 JKGE CC[C@H](Br)CN(Cc1ccccc1)C(=O)c1csc(I)c1 1915116088 QELYJWLHMDBFIQ-AWEZNQCLSA-N 478.193 5.169 50 10 JKGE CC(C)[C@@H](CBr)N(Cc1ccccc1)C(=O)c1ccc(Br)c(F)c1 1915297871 MCMIGFFQDGDONG-GOSISDBHSA-N 457.181 5.650 50 10 JKGE Fc1c(Cl)cccc1[C@@H](Cl)c1c(Br)sc(Br)c1Cl 1923041232 ZXPPLNWIDHEFSS-SSDOTTSWSA-N 453.385 7.047 50 10 JKGE CC(C)C[C@@H]1C[C@H]1[C@@H](Cl)c1c(Br)sc(Br)c1Br 1924604677 GQFROIKTRBOECY-BRDIYROLSA-N 465.476 6.998 50 10 JKGE COc1cc(Br)ccc1[C@H](Br)c1c(Cl)sc(Cl)c1Cl 1925585283 NZUSMPZLDMSDSD-VIFPVBQESA-N 465.421 6.964 50 10 JKGE Clc1cc([C@@H](Cl)c2c(Cl)sc(Br)c2Cl)ccc1Br 1925588901 QRRNVZAXNJIOCS-MRVPVSSYSA-N 469.840 7.562 50 10 JKGE FC1(F)CN(Cc2ccccc2)CCN(c2ccc(Br)cc2CBr)C1 2032240780 QGQZSFSUAPXTFK-UHFFFAOYSA-N 474.187 5.302 50 10 JKGE COc1sc([C@@H](Br)c2ccc(Br)cc2F)cc1Br 2034630660 XVMWBALIEKEAHN-NSHDSACASA-N 458.972 5.905 50 10 JKGE COc1cc(Br)c(C)cc1[C@@H](Br)c1cc(Br)cs1 2052452500 ZBPDTBNWLAALAG-CYBMUJFWSA-N 455.009 6.074 50 10 JKGE CCOc1ccc(Br)cc1[C@@H](Cl)c1cc(I)sn1 2056486957 GSDYWYMNASTUNV-GFCCVEGCSA-N 458.546 5.237 50 10 JKGE Cc1cc(Br)c(C)c([C@H](Br)c2cscc2F)c1Br 2081064730 YQEUHGKIVCYFOT-CYBMUJFWSA-N 457.000 6.513 50 10 JKGE CCc1cc(Br)c([C@H](Br)c2cc(Cl)c(C)cc2Br)s1 2089708847 FMRKKECJLJWBDH-CYBMUJFWSA-N 487.482 7.282 50 10 JKGE C[C@@H]1Cc2cc([C@@H](Br)c3sccc3Br)cc(Br)c2O1 2090467848 RGKGMCWJEQFJDE-JMCQJSRRSA-N 467.020 6.081 50 10 JKGE Cn1nc([C@@H](Br)c2ccc(F)c(Br)c2F)c(Br)c1Cl 2110731186 QPGSAKTYUNYWIC-LURJTMIESA-N 479.344 5.361 50 10 JKGE Clc1sc([C@H](Br)c2cc3c(cc2Br)OCC3)cc1Br 2115930501 NTDBKLSHEGBPGE-GFCCVEGCSA-N 487.438 6.346 50 10 JKGE C[C@@H]1CC[C@H](COc2c(Br)cc(CBr)cc2Br)OC1 2116416586 ATLBYTDOEOCFCE-MWLCHTKSSA-N 457.000 5.300 50 10 JKGE FC(F)(C1CCCCC1)[C@H](Br)c1c(Cl)sc(Br)c1Cl 2128814326 ASFPKRMDHVPSHM-SECBINFHSA-N 457.005 7.469 50 10 JKGE Cc1cc(Br)c(C)c([C@H](Br)[C@@H]2[C@@H]3CCCO[C@@H]32)c1Br 2136377085 LRGGISSSCNVKIF-HLHNXRDNSA-N 453.012 5.689 50 10 JKGE Cc1c(Br)ccc([C@H](Br)[C@@H]2CC23CCCCC3)c1Br 2138874933 ZZXPHIOTOHIBMA-WFASDCNBSA-N 451.040 6.926 50 10 JKGE CCC[C@H]1CN(Cc2cc(Br)ccc2Br)C[C@H]1CBr 2140782756 CVUCVAQRDOIYMN-WCQYABFASA-N 454.044 5.455 50 10 JKGE Brc1cccc([C@@H](Br)c2ccc3c(c2)CCCO3)c1Br 2148753381 WQFDYLSHGYAOCO-HNNXBMFYSA-N 460.991 6.021 50 10 JKGE CC(C)(CC(CBr)(CBr)c1cccc(Br)c1)C(F)(F)F 2150590253 BQPIEBMWSDWNPG-UHFFFAOYSA-N 480.988 6.455 50 10 JKGE O=C(c1scc(Br)c1Br)N1CCC2(CCC2)[C@@H](CBr)C1 2151654371 KSYBUMHREZBGES-VIFPVBQESA-N 486.067 5.300 50 10 JKGE CN(Cc1c(Br)cnn1C)c1c(CBr)ccc(Br)c1Cl 2156477130 BEUIMSDIOSDKBR-UHFFFAOYSA-N 486.433 5.130 50 10 JKGE CN(C(=O)c1c(Br)cccc1Br)C1(CBr)CC(C)(C)C1 2164567716 HUZFJODCEZAJML-UHFFFAOYSA-N 468.027 5.237 50 10 JKGE O=S(=O)(c1cc(CBr)n(C2CC2)c1)N(Cc1ccccc1)Cc1cccs1 2179858086 JRLWOVLLQBRSNQ-UHFFFAOYSA-N 465.438 5.171 50 10 JKGE C[C@@H](N(Cc1ccccc1)S(=O)(=O)c1ccc(OCCBr)cc1)C(C)(C)C 2179860544 TXTAGROXCULCBH-QGZVFWFLSA-N 454.430 5.086 50 10 JKGE COc1cc(C)c([C@H](Br)Cc2cccc(Br)c2)cc1Br 2198737625 RCFIZAQCXZELPK-CQSZACIVSA-N 463.007 6.207 50 10 JKGE Brc1sc([C@@H]2CCC[C@@H]2Br)c(Br)c1Br 2209975934 JJJFFIIVPKCGIB-UHNVWZDZSA-N 467.846 6.067 50 10 JKGE COc1cc(F)cc([C@H](Br)c2cc(Br)sc2Br)c1 2218937287 PLTKFDIUCRIIDV-NSHDSACASA-N 458.972 5.905 50 10 JKGE Clc1cc(Br)c(OCc2nscc2Br)c(CBr)c1 2219912918 JTGGNNSVQVNEHJ-UHFFFAOYSA-N 476.415 5.795 50 10 JKGE Cc1cc(Br)c([C@H](Br)c2scc(C)c2Br)c(C)c1Cl 2224313924 WLLRUCUMHZDLDD-LBPRGKRZSA-N 487.482 7.336 50 10 JKGE Cc1cc([C@@H](Cl)c2c(Br)cc(Cl)c(Cl)c2Cl)oc1Br 2224325905 ZASFEFYBHZSGLL-SNVBAGLBSA-N 467.799 7.401 50 10 JKGE C[C@H](Cl)c1nc2c(Br)cccc2n1C[C@H]1CC1(Br)Br 2224804968 LVWGJDZAVYPGBM-JGVFFNPUSA-N 471.418 5.605 50 10 JKGE Cc1cc(Br)c([C@H](Br)C2CCCCCC2)c(C)c1Br 2227348229 MUPGMRCBNFJMFZ-MRXNPFEDSA-N 453.056 7.235 50 10 JKGE COC12CCC([C@H](Cl)c3c(Br)sc(Br)c3Br)(CC1)C2 2231610425 YMUMTRNIAWDDHU-UHEGKEBESA-N 493.486 6.665 50 10 JKGE Cc1ccc(I)c([C@H](Cl)c2cc(Br)c(Cl)cc2C)c1 2232222207 HATLENQIMDTSMB-OAHLLOKOSA-N 469.975 6.652 50 10 JKGE FC(F)(F)[C@@H]1C[C@@H]1C[C@@H](Br)c1c(Br)cc(Cl)c(Cl)c1Cl 2232512219 SLKZBSADYVFOTF-HSUXUTPPSA-N 475.357 7.434 50 10 JKGE COc1ccc([C@@H](Br)c2cc(Br)c(Br)cc2F)cc1Cl 2233981060 CVHKBNLCPMIPMN-CQSZACIVSA-N 487.388 6.497 50 10 JKGE Cc1cc(Br)c([C@@H](Br)CC2CCCCCC2)c(C)c1Br 2235601887 BPJGIQNWIOHPEI-HNNXBMFYSA-N 467.083 7.625 50 10 JKGE COC[C@@H]1CC[C@H]([C@@H](Br)c2c(Br)cc(C)c(Br)c2C)C1 2235608255 IUKIXSYNVBIWBD-BFQNTYOBSA-N 469.055 6.327 50 10 JKGE Brc1cc2sc([C@@H](Br)c3csnc3Br)cc2s1 2252909395 KRYAZVGJJBYWRQ-VIFPVBQESA-N 474.062 6.429 50 10 JKGE COc1c(Cl)cc(Br)cc1[C@H](Br)c1cocc1Br 2258118115 NLIQUFCEAVZHQV-NSHDSACASA-N 459.359 5.951 50 10 JKGE C[C@@H](Br)CN(C(=O)c1cc(Br)c(Br)s1)C1CCC1 2259769462 LECNDIKRYSXSDT-SSDOTTSWSA-N 460.029 5.051 50 10 JKGE Cc1cc([C@H](Br)c2cc3sc(Br)cc3s2)c(Br)s1 2263632630 LPLPUMZXIZBKSB-NSHDSACASA-N 487.101 7.342 50 10 JKGE Cc1cc(Br)c([C@@H](Cl)c2csc(Br)c2Br)c(C)c1F 2264496447 WBKJBPVKFMMUQP-NSHDSACASA-N 491.445 7.120 50 10 JKGE CCOc1ccc([C@@H](Cl)c2ccc(Cl)c(I)c2)cc1Br 2283575834 YWHLMMXBGDCVED-OAHLLOKOSA-N 485.974 6.434 50 10 JKGE CCn1ncc(Br)c1[C@H](Br)c1cc(Cl)cc(Br)c1OC 2295359741 JGMCDDOWMSPFED-LLVKDONJSA-N 487.417 5.574 50 10 JKGE COc1cc(C=C(C#N)C(=O)Nc2c(C)cc(C)cc2C)ccc1OCc1cccc(C(F)(F)F)c1 2295669947 PWUSYNBIHNGQFY-UHFFFAOYSA-N 494.513 6.764 50 10 JKGE N#CC(=Cc1ccc(COc2c(Cl)cc(Cl)cc2Cl)o1)C(=O)Nc1nccs1 2295672335 NNPLPOQMBCUDOJ-UHFFFAOYSA-N 454.722 5.821 50 10 JKGE Cc1ccc(NC(=O)c2c(-n3c(C)cc(C=C(C#N)c4ccccc4)c3C)sc3c2CCCC3)cc1 2313562090 CTUWOGREQAVZRT-UHFFFAOYSA-N 491.660 7.659 50 10 JKGE Cc1ccc(Cn2cc(C=C(C#N)C(=O)Nc3cccc(Cl)c3Cl)c3ccccc32)cc1 2313570917 IZWFYJXHTDZNLV-UHFFFAOYSA-N 460.364 6.851 50 10 JKGE COc1cc(C=C(C#N)C(=O)Nc2cccc([N+](=O)[O-])c2)ccc1OCc1cccc(Cl)c1 2313738909 YAJDVGSNVASRML-UHFFFAOYSA-N 463.877 5.381 50 10 JKGE Brc1ccc(OCc2ccccc2)c([C@@H](Br)[C@H]2CC3(CCC3)CO2)c1 2314458038 APIHPNWAKWFJSH-WOJBJXKFSA-N 466.213 6.423 50 10 JKGE FC(F)(F)COCC[C@H](Br)c1cc(Br)ccc1OCc1ccccc1 2314485484 ANWBZVXTJGPGJV-INIZCTEOSA-N 482.134 6.433 50 10 JKGE Cc1ccc(NC(=O)C(C#N)=Cc2ccc(-c3cc(C(F)(F)F)ccc3Cl)o2)c([N+](=O)[O-])c1 2314572233 WLOWDYLPKCCUGX-UHFFFAOYSA-N 475.810 6.381 50 10 JKGE CC1=C(C#N)C(=O)N(C2CCCC2)C(=O)C1=Cc1ccc(OCc2ccc(Cl)cc2Cl)cc1 2314617079 QIYOHUPLQATOMJ-UHFFFAOYSA-N 481.379 6.107 50 10 JKGE N#CC1=C(N)Oc2cc(OC(=O)C=Cc3ccc(Cl)cc3)ccc2[C@H]1c1ccc(Cl)cc1Cl 2314634042 FLUNYDZXUYDXEC-XMMPIXPASA-N 497.765 6.484 50 10 JKGE CCC1([C@H](Br)c2c(Cl)cc(Br)c(F)c2Br)CCC1 2315441987 NWDYIXUQLFSWTM-GFCCVEGCSA-N 463.410 7.020 50 10 JKGE Fc1c(Br)cc(Cl)c([C@@H](Br)[C@@H]2[C@@H]3CCO[C@@H]32)c1Br 2315448099 WJXZWEOLTZBCPK-JCNKXVEKSA-N 463.366 5.475 50 10 JKGE CCCc1sc(Br)cc1[C@@H](Br)c1sc(C)cc1Br 2316187897 SMWOOKOEBQIZSD-GFCCVEGCSA-N 473.093 7.080 50 10 JKGE CCCCCCCCC[C@@H](Br)c1sc(Cl)cc1I 2316598410 CDLWBXYQBQDKEW-LLVKDONJSA-N 463.650 7.583 50 10 JKGE Clc1cccc(C[C@@H](CBr)Cc2sccc2I)c1 2316663814 DOGDLBFBLMRLAH-LLVKDONJSA-N 455.586 5.802 50 10 JKGE CC(C)(C)OC(=O)N1CCC[C@](CI)(OCC[C@@H]2CC[C@H]2C2CC2)C1 2319609066 LWXGBVKDTVNFSH-ABSDTBQOSA-N 463.400 5.034 50 10 JKGE CCCCCOc1ccc(C=C(C(=O)NCCCBr)c2ccccc2)cc1OC 2325238611 PKXAPVPTQKRXDL-UHFFFAOYSA-N 460.412 5.706 50 10 JKGE COCCOc1ccc(C=C(C#N)C(=O)Nc2cc(C(F)(F)F)ccc2N2CCCCC2)cc1 2331122783 JLUMJUANEJXONA-UHFFFAOYSA-N 473.495 5.267 50 10 JKGE CC[C@H](C)[C@H](C(O)=C(C#N)c1nc(-c2ccc(C)cc2C)cs1)N1C(=O)c2ccccc2C1=O 2331311003 CQWMIBFMSWFMDN-QMHKHESXSA-N 471.582 5.931 50 10 JKGE COc1c(Cl)cc(Cl)cc1-c1csc(C(C#N)=C(O)CCc2nc3ccccc3[nH]c2=O)n1 2331364143 MAKKNBBIHVZGDX-UHFFFAOYSA-N 499.379 5.787 50 10 JKGE COc1ccc(C=C(C(O)=C(C#N)c2nc(-c3ccc(C)c(C)c3)cs2)c2ccccc2)cc1OC 2331382547 FEEOMKPXPRRHTD-UHFFFAOYSA-N 494.616 7.478 50 10 JKGE COc1cc(Cl)c(C)cc1-c1csc(C(C#N)=C(O)[C@H](C)Oc2ccc(Cl)cc2Cl)n1 2331390057 DIELPAFTKXXAHT-LBPRGKRZSA-N 495.815 7.348 50 10 JKGE COc1c(Cl)cc(-c2csc(C(C#N)=C(O)COc3cccc(C)c3C)n2)cc1Cl 2331397513 KIMCUQIAUZXWOT-UHFFFAOYSA-N 461.370 6.614 50 10 JKGE COc1c(Cl)cc(-c2csc(C(C#N)=C(O)c3ccc(C(C)(C)C)cc3)n2)cc1Cl 2331397986 QJIDKEUFFMLBOS-UHFFFAOYSA-N 459.398 7.373 50 10 JKGE CC(C)c1ccc(O[C@H](C)C(O)=C(C#N)c2nc(-c3cc(Cl)ccc3Cl)cs2)cc1 2331404566 QGCXNRWTLUMSEM-CQSZACIVSA-N 459.398 7.500 50 10 JKGE C=CCOc1ccccc1OCC(O)=C(C#N)c1nc(-c2cc(Cl)ccc2Cl)cs1 2331404606 UVCUHIFZTYGDES-UHFFFAOYSA-N 459.354 6.553 50 10 JKGE CCCCCOc1ccc(C=C(C#N)c2nc(-c3ccc(OC)c(Cl)c3)cs2)cc1OC 2331484685 LJOINNPKUDPSIB-UHFFFAOYSA-N 469.006 7.114 50 10 JKGE CC(C)([C@@H](Br)c1c(F)cc(Cl)c(Br)c1Cl)S(C)(=O)=O 2335292681 ZOTSXUQVYSPRKI-JTQLQIEISA-N 456.986 5.154 50 10 JKGE Brc1ccc(OCc2ccccc2)c([C@@H](Br)[C@@H]2C[C@H]3CCC[C@H](C3)C2)c1 2336044435 OBOLNEKMYVBXAB-LVBDUCALSA-N 478.268 7.681 50 10 JKGE CC(C)(CC(F)F)[C@@H](Br)c1c(Cl)cc(Br)c(F)c1Br 2337087415 YKYLZFJWGSWDPH-NSHDSACASA-N 487.379 7.122 50 10 JKGE CC1(C)OCCC[C@@]1(CBr)Cc1ccc(Cl)c(I)c1 2337226601 AYKAKAUTSYHIOW-HNNXBMFYSA-N 457.577 5.457 50 10 JKGE Cc1cc(Br)c(C)c([C@@H](Cl)c2c(Br)ncn2C)c1Br 2337274922 OKTCEDJHAHLBEA-LLVKDONJSA-N 471.418 5.653 50 10 JKGE CCN[C@H](c1c(C)cc(Br)c(F)c1Br)[C@H]1C[C@H](Br)C1 2339655070 CKCWDYZDEQVTPO-FZNYLWTLSA-N 458.007 5.483 50 10 JKGE COc1c(Br)cc(C)c([C@H](Br)[C@H]2[C@H](C)C2(F)F)c1Br 2339656081 KHMYBTOWGUTJBL-QUNWWBBNSA-N 462.954 5.866 50 10 JKGE Clc1ccc(CN2CC[C@@H]3C[C@H](Br)CC[C@@H]32)c(I)c1 2341029990 LNNHAVWIAPUKJK-HCKVZZMMSA-N 454.577 5.083 50 10 JKGE Clc1ccc(CC[C@@H](Cl)c2ccccc2Br)c(I)c1 2341060295 TWUOAZUJAQCOEA-CQSZACIVSA-N 469.975 6.620 50 10 JKGE C[C@H](c1ccncc1F)[C@H](Cl)c1cc(I)ccc1Br 2344698651 MAZMIXABHNQROK-CLAHSXSESA-N 454.508 5.671 50 10 JKGE Brc1ccc(OCc2ccccc2)c([C@H](Br)[C@H]2CC3(CCCCC3)CO2)c1 2361195618 QPWQLMHTOFOFJA-YADHBBJMSA-N 494.267 7.204 50 10 JKGE CC[C@@H]1CC[C@@H]([C@H](Br)c2c(C)cc(Br)c(OC)c2Br)O1 2365196555 NJSHIMDXCNCIBO-CDMKHQONSA-N 471.027 5.922 50 10 JKGE CCCCOc1ccc(Br)cc1C(=O)NNC(=O)COc1ccc(-c2ccccc2)cc1 14649857 LKQBEQSBMKAVCB-UHFFFAOYSA-N 497.389 5.135 50 10 JKGE CCCCc1ccc(NC(=O)c2oc3c(c2C)/C(=N/NC(=O)c2cccc(C)c2)CCC3)cc1 40811315 YEALAGUKWPXNTK-JJKYIXSRSA-N 457.574 5.962 50 10 JKGE Cc1ccccc1C(=O)N/N=C1\CCCc2oc(C(=O)NN(c3ccccc3)c3ccccc3)c(C)c21 40811522 NEVJCTDVRKUERJ-QCKNELIISA-N 492.579 5.850 50 10 JKGE Cc1c(C(=O)N(C)c2ccccc2)oc2c1/C(=N/NC(=O)C(c1ccccc1)c1ccccc1)CCC2 40815522 AATRPMXQXXOPFQ-WGPBWIAQSA-N 491.591 5.853 50 10 JKGE Cc1cccc(-c2nn(-c3ccccc3)cc2/C=N/NC(=O)COc2cccc(Cl)c2Cl)c1 48572962 NCLQXVWXPYAROJ-CCVNUDIWSA-N 479.367 5.684 50 10 JKGE COc1cccc(/C=C(/C#N)C(=O)Nc2ccc(C(C)=O)cc2)c1OC/C=C\c1ccccc1 96438608 BRQAWQKGJREOJZ-CJAJZUSASA-N 452.510 5.536 50 10 JKGE COc1cc(/C=C2/C(=O)N(C3CCCC3)C(=O)C(C#N)=C2C)ccc1OCc1ccccc1Cl 101338813 RRRROEAWNDDKTH-FYJGNVAPSA-N 476.960 5.462 50 10 JKGE COc1cc(/C=C(\C#N)C(=O)NCc2ccccc2)ccc1OC(=O)/C(C#N)=C\c1ccc(Cl)cc1 103762267 ROKBJSYQKCNHMS-WAJXZNKBSA-N 497.938 5.085 50 10 JKGE COc1ccc(-c2csc(/C(C#N)=C/Nc3ccccc3I)n2)cc1 103932219 AHHMZJVIPPBMEL-SDNWHVSQSA-N 459.312 5.400 50 10 JKGE Fc1cc([C@H](Br)c2cc(Cl)c(Br)s2)ccc1Br 127587666 ZALGLALABKXIJZ-JTQLQIEISA-N 463.391 6.550 50 10 JKGE Cc1cc(Br)c([C@H](Br)c2cccc(OC(F)F)c2)cc1Br 128769851 XEONPDDFAYOTKW-CQSZACIVSA-N 484.960 6.606 50 10 JKGE CCCOc1cccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)/C=C\c4ccc(OC)cc4)ccc32)c1 205658658 XKTAMCGJFKYXMW-MWZVXJTDSA-N 482.536 5.321 50 10 JKGE CCOC(=O)/C(C#N)=C\c1cccc(OC(=O)/C=C\c2ccc(OCCC(C)C)c(OC)c2)c1 206953696 WJNGCQGQFXQRJY-SQZWWKPCSA-N 463.530 5.209 50 10 JKGE CCOc1ccc(Br)cc1[C@H](Br)c1cccc(C)c1Br 233784669 OWDMKBAJYVTFSJ-MRXNPFEDSA-N 463.007 6.403 50 10 JKGE CC[C@@H]1CCCC[C@@H]1Oc1c(Br)cc(CBr)cc1Br 233914363 XCJYOTQNXIQJCC-RISCZKNCSA-N 455.028 6.454 50 10 JKGE C[C@@H]1Cc2cc([C@H](Br)c3ccc(Br)cc3Br)ccc2O1 235413448 PRMFYUAJQQXIES-ABKXIKBNSA-N 460.991 6.019 50 10 JKGE CC(=NNC(=O)c1ccc(-c2ccccc2)cc1)c1cccc(NC(=O)COc2ccccc2)c1 252625369 QINBFUPYCPNUII-UHFFFAOYSA-N 463.537 5.525 50 10 JKGE CCCOc1ccc(C(=O)Oc2ccc(C=NNC(=O)COc3cc(C(C)C)ccc3C)cc2)cc1 254444363 HJLWQGWDFIWQPE-UHFFFAOYSA-N 488.584 5.656 50 10 JKGE O=C(COc1ccc2ccccc2c1)NN=Cc1cccc(OCc2c(F)cccc2Cl)c1 254601657 RYNZMIQMQZLMCT-UHFFFAOYSA-N 462.908 5.740 50 10 JKGE O=C(NN=Cc1c2ccccc2cc2ccccc12)c1nc(-c2ccccc2)n(-c2ccccc2)n1 254912345 VDDFHQWRKUQDBJ-UHFFFAOYSA-N 467.532 6.005 50 10 JKGE Cc1ccc(-c2nnc(SCC(=O)NN=Cc3ccc(C(C)C)cc3)n2-c2ccccc2)cc1 263627565 LZFNIQGKCBYOPP-UHFFFAOYSA-N 469.614 5.609 50 10 JKGE BrCc1ccc(N2C[C@@H]3CN(Cc4ccccc4)CC[C@H]3C2)cc1Br 385991169 RYGGSPOKLZHKGF-OALUTQOASA-N 464.245 5.302 50 10 JKGE CC(C)(C)OC(=O)Nc1cccc([C@H]2c3ccccc3CCN2CCO[Si](C)(C)C(C)(C)C)c1 616587655 ZTONWKWUHITEMG-VWLOTQADSA-N 482.741 7.003 50 10 JKGE BrCc1cc(Br)cc(Br)c1OCC[C@H]1CCCCO1 699667980 BMFMCSIRHRVBOC-GFCCVEGCSA-N 457.000 5.445 50 10 JKGE Cl[C@@H](c1ccc(Br)s1)c1scc(Br)c1Br 705410580 SIOPDFAESQTYMF-QMMMGPOBSA-N 451.430 6.425 50 10 JKGE Cc1cc(Cl)c([C@@H](Br)c2scc(Br)c2Br)cc1C 705437053 FBPLZDIZNYTEHQ-LLVKDONJSA-N 473.455 7.028 50 10 JKGE C[C@@H]1Cc2cc(Br)cc([C@@H](Cl)c3ccc(I)cc3)c2O1 720124610 NCSMUMFMZWHNAV-PSLIRLAXSA-N 463.540 5.705 50 10 JKGE Cc1sc([C@H](Br)c2ccc(Br)cc2F)c(C)c1Br 724926733 BSFOQGDGEDRIEC-GFCCVEGCSA-N 457.000 6.513 50 10 JKGE CC(=NNC(=O)COc1ccc(Cl)cc1Cl)c1ccc(NC(=O)c2ccccc2)cc1 1084560706 IEKUVATUWZVOGG-UHFFFAOYSA-N 456.329 5.165 50 10 JKGE COc1cc(C=NNC(=O)COc2ccccc2C(C)(C)C)ccc1OCc1ccc(Cl)cc1 1772752824 HVQJPIUELGMUJX-UHFFFAOYSA-N 480.992 5.754 50 10 JKGE N#CC1=C(N)Oc2c(c(-c3ccccc3)nn2-c2ccc(Cl)c(Cl)c2)[C@H]1c1cccc(O)c1 1865681166 GRLRMYMCFBODIL-NRFANRHFSA-N 475.335 5.770 50 10 JKGE COc1ccc([C@@H]2C(C#N)=C(N)Oc3c2c(-c2ccccc2)nn3Cc2cccc(Cl)c2)cc1O 1865682770 XGXXAPZFCZGORW-HSZRJFAPSA-N 484.943 5.184 50 10 JKGE CCCOc1c(OC)cccc1[C@@H]1C(C#N)=C(N)Oc2c1c(CCC)nn2Cc1ccc(Cl)cc1 1865692959 KHSZOTMFXBGTAQ-HSZRJFAPSA-N 493.007 5.553 50 10 JKGE CCc1nn(Cc2ccccc2)c2c1[C@H](c1ccc(OCc3ccc(C)cc3)cc1)C(C#N)=C(N)O2 1865694624 ZXJZSTGNNMEXQS-HHHXNRCGSA-N 476.580 5.599 50 10 JKGE Cn1cc([C@H]2C(C#N)=C(N)Oc3c2c(-c2ccccc2)nn3Cc2ccccc2)c2ccccc21 1865699218 NRKVKDWXWCVMNU-RUZDIDTESA-N 457.537 5.308 50 10 JKGE COc1ccc(-c2nn(Cc3cc(C)ccc3C)c3c2[C@H](c2cccc(C)c2)C(C#N)=C(N)O3)cc1 1865710880 KOQVSQNGGYSXDA-AREMUKBSSA-N 476.580 5.750 50 10 JKGE Cc1nc(-c2ccc(Cl)c(Cl)c2)ccc1C(=O)NNC(=O)c1ccc(Br)cc1 1865759099 IDMILTFWWRAYLC-UHFFFAOYSA-N 479.161 5.201 50 10 JKGE CCOc1ccc(-c2nc(Nc3ccc(SC#N)cc3)cc(N3C[C@@H](C)Cc4ccccc43)n2)cc1 1868528602 WLRKMVVRDITKBG-FQEVSTJZSA-N 493.636 7.189 50 10 JKGE N#C/C(=C(/O)C(c1ccccc1)c1ccccc1)c1nc(-c2cc(Cl)ccc2Cl)cs1 1872757880 AIVSBJOTRNUFHE-GFMRDNFCSA-N 463.389 7.742 50 10 JKGE COc1cc(C)c(-c2csc(/C(C#N)=C(\O)CCCOc3ccc(Cl)cc3Cl)n2)cc1C 1872758107 LTMGIFKYIBZUFD-UZYVYHOESA-N 489.424 7.394 50 10 JKGE CCOc1cc(/C=C(\C#N)c2nc(-c3ccc(F)cc3)cs2)ccc1OCc1ccc(C)cc1 1872791433 JFAOGVVXMHBYIR-OEAKJJBVSA-N 470.569 7.300 50 10 JKGE CC(C)(C)OC(=O)NN(C(=O)OC(C)(C)C)c1sc(Br)cc1Br 1879973403 JNJANWJJLPLPBS-UHFFFAOYSA-N 472.199 5.454 50 10 JKGE CC(C)(C)OC(=O)N[C@@H](CBr)[C@H]1CN(Cc2ccccc2)C2(CCCCC2)C1 1885095289 AGHOFGVRERUDDF-UXHICEINSA-N 451.449 5.500 50 10 JKGE Cl[C@@H]1C[C@H]1[C@@H](Br)c1c(Br)sc(Br)c1Br 1893445907 HRBBTAJZDBFGTD-PAKKCRSFSA-N 488.264 6.099 50 10 JKGE CC[C@@H](Br)CN(Cc1ccccc1)c1ncc(Br)cc1C(F)(F)F 1915080621 CJVIDNQWVMRQTL-CYBMUJFWSA-N 466.139 6.043 50 10 JKGE CC(C)[C@H](CBr)N(Cc1ccccc1)S(=O)(=O)c1ccc(F)cc1Br 1915324274 LWTDMNQFFCMOSE-KRWDZBQOSA-N 493.236 5.199 50 10 JKGE CN(C[C@H](Cl)COCc1ccccc1)C(=O)c1ccc(Br)cc1Br 1916353103 DGZDSXYBEHUMOE-HNNXBMFYSA-N 475.608 5.108 50 10 JKGE Clc1ccc(C[C@@H](Br)c2c(Br)cccc2Br)nc1 1918224558 KHPNHWMNJOFRAD-GFCCVEGCSA-N 454.387 5.939 50 10 JKGE FC(F)(F)c1cc(Cl)ccc1[C@@H](Cl)c1sc(Br)cc1Br 1922882982 BMKHYHLCKLTJST-SNVBAGLBSA-N 468.947 7.274 50 10 JKGE Cc1c(Br)sc([C@H](Cl)c2ccc(Br)cc2F)c1Br 1922945465 GQZGTAKTWSYHHR-SNVBAGLBSA-N 477.418 6.811 50 10 JKGE Cc1cc([C@H](Br)c2sc(Br)c(C)c2Br)ccc1F 1922945982 MIVLXMIHIFMXGE-NSHDSACASA-N 457.000 6.513 50 10 JKGE Fc1cc(Cl)cc([C@H](Br)c2c(Cl)sc(Br)c2Cl)c1 1925565426 CIMCBDLOWLMMGY-QMMMGPOBSA-N 453.385 7.094 50 10 JKGE Clc1ccc([C@H](Br)c2c(Cl)sc(Cl)c2Cl)cc1Br 1925589462 UCGMDEBVODINLP-QMMMGPOBSA-N 469.840 7.609 50 10 JKGE Fc1cc(Cl)c(Br)cc1[C@@H](Br)c1nscc1Br 1948511848 WAIHCDUSTLRQQS-SECBINFHSA-N 464.379 5.945 50 10 JKGE Clc1csc(COc2c(Br)cc(Br)cc2CBr)n1 2076455608 FIADBDYIJZHANU-UHFFFAOYSA-N 476.415 5.795 50 10 JKGE FC(F)(F)c1cccc(Cn2nc(CBr)c(Br)c2C(F)(F)F)c1 2079229342 HXJGBHBEHQPBHY-UHFFFAOYSA-N 466.017 5.626 50 10 JKGE C[C@]1([C@H](Br)c2ccc(Br)cc2Br)C[C@@H]1C(F)(F)F 2083330802 SMPJPAHVNLGIMH-AXFHLTTASA-N 450.918 6.236 50 10 JKGE CC1(C)[C@H]2CC[C@@H](C2)[C@@H]1[C@H](Br)c1cc(Br)ccc1Br 2090089335 WNRRHXFNMNTJJH-NBLIUIFLSA-N 451.040 6.720 50 10 JKGE C[C@@H]1Cc2cc([C@H](Br)c3csc(Br)c3Br)ccc2O1 2093942471 SSFDJSRBEWJAIR-KRTXAFLBSA-N 467.020 6.081 50 10 JKGE BrC[C@@H]1CC2(CCC2)CN1Cc1ccc(Br)cc1Br 2095173291 NRBRQTOFYIOEIZ-ZDUSSCGKSA-N 452.028 5.351 50 10 JKGE CN(CCN(Cc1ccccc1)CC1(c2nc(CCl)cs2)CCCCC1)Cc1ccccc1 2109995838 OOMPRGDCROPKCG-UHFFFAOYSA-N 482.137 6.718 50 10 JKGE C[C@H](CCCCCBr)NC(=O)c1c(Br)cccc1Br 2117893625 VTLZRVQQTNPSKG-SNVBAGLBSA-N 456.016 5.285 50 10 JKGE Cl[C@@H]1[C@H](CNc2ncc(I)cc2Br)CCC12CCC2 2133382481 VZXSBOBBEMNXOU-JOYOIKCWSA-N 455.565 5.048 50 10 JKGE Cc1c(Br)ccc([C@H](Br)[C@@H]2OCCOC2(C)C)c1Br 2138853374 QCTXLPSBCRRSMJ-STQMWFEESA-N 457.000 5.150 50 10 JKGE Cc1cc([C@@H](Br)c2ccc(Br)c(C)c2Br)ccc1F 2138876182 MUWFTDJFWZDJDN-OAHLLOKOSA-N 450.971 6.452 50 10 JKGE CC1(C)CC[C@H](CBr)N(C(=O)c2c(Br)cccc2Br)C1 2150497221 ZCDGICLIPSILRV-SNVBAGLBSA-N 468.027 5.237 50 10 JKGE BrC[C@H]1CCC2(CCC2)CN1Cc1c(Br)cccc1Br 2152060530 ISOXCSKHDYXJNG-GFCCVEGCSA-N 466.055 5.741 50 10 JKGE CC1(C)C[C@H](n2c(CCl)nc3cc(Br)c(F)cc32)[C@@H]1OCc1ccccc1 2156379365 YAPYKXZPLJHPOB-ICSRJNTNSA-N 451.767 6.233 50 10 JKGE C[C@@H](N(Cc1ccccc1)S(=O)(=O)c1cc(CBr)n(C2CC2)c1)C(C)(C)C 2179859036 XHHUTKYSPVULAL-MRXNPFEDSA-N 453.446 5.343 50 10 JKGE COc1cc(Cl)c([C@H](Br)c2c(C)cccc2Br)cc1Br 2202352813 PGRXURIIHYDMTO-HNNXBMFYSA-N 483.425 6.666 50 10 JKGE COc1c(Br)cc(C)cc1[C@H](Cl)c1cc(Cl)ccc1I 2203814044 DBWMFFYNIUEROX-CQSZACIVSA-N 485.974 6.352 50 10 JKGE COc1c(Br)cc(C)cc1[C@@H](Br)c1c(C)cccc1Br 2203830430 QCHPDKBTONCCSX-OAHLLOKOSA-N 463.007 6.321 50 10 JKGE FC1(F)CCC[C@H](O[C@H](CI)c2ccccc2Br)CC1 2207040125 RUSIYJMISJKYAX-SMDDNHRTSA-N 459.112 5.910 50 10 JKGE Fc1cc(Br)c(Br)cc1[C@H](Br)c1csc(Cl)c1 2213491018 ZRQGVEQKBHBMRS-LLVKDONJSA-N 463.391 6.550 50 10 JKGE ClCCc1nc2cc(Br)c(Br)cc2n1[C@H]1CC[C@@H]1OCc1ccccc1 2225695915 CRZYUAAQOJZQLI-HKUYNNGSSA-N 498.646 6.263 50 10 JKGE ClCCc1nc2cc(Br)c(Br)cc2n1C[C@@H]1C[C@@H]1Br 2225700638 GPCCDGJSEWNSSN-YUMQZZPRSA-N 471.418 5.126 50 10 JKGE Fc1cccc(F)c1[C@@H](Br)c1c(Br)cc(Cl)c(Cl)c1Cl 2232509584 DAMAKHOZACYOGP-NSHDSACASA-N 465.346 7.172 50 10 JKGE Cc1ccc([C@@H](Br)c2cc(Cl)cc3c2OCC3)cc1I 2232832442 BKMVBGCQUSIBJL-OAHLLOKOSA-N 463.540 5.672 50 10 JKGE C[C@]1(Cn2c(CCl)nc3c(F)cc(Br)cc32)CCCN1Cc1ccccc1 2232927526 GTBRATGWAINVJN-OAQYLSRUSA-N 450.783 5.731 50 10 JKGE CC1(C)C[C@H]([C@@H](Br)c2cc(Br)c(Br)cc2F)C(C)(C)O1 2233974338 FAYYWJMURSASIU-RNCFNFMXSA-N 473.018 6.380 50 10 JKGE ClCc1nc2cc(Br)c(Br)cc2n1Cc1ccc(Cl)s1 2234062202 ALAMAYXDAKVQHN-UHFFFAOYSA-N 455.002 6.063 50 10 JKGE Cc1cc(Br)c([C@H](Cl)c2c(C)cccc2Br)c(C)c1Br 2235603162 HWJMBATWLQDBFJ-MRXNPFEDSA-N 481.453 7.228 50 10 JKGE Cc1cc(Br)c([C@H](Br)C[C@@H](C)CC(C)(C)C)c(C)c1Br 2235605774 ULCSJWMGFCQOTL-ZWNOBZJWSA-N 469.099 7.727 50 10 JKGE Cc1cccc(C(=O)Nc2ccc(Cl)cc2CBr)c1I 2239464267 RLGWCANCUXDPJD-UHFFFAOYSA-N 464.528 5.400 50 10 JKGE C[C@H](CBr)N(Cc1ccccc1)C(=O)c1cc(Br)c(F)cc1Cl 2244182661 OXYSNUPLFPTJBE-LLVKDONJSA-N 463.572 5.667 50 10 JKGE Brc1cc2sc([C@H](Br)c3ncsc3Br)cc2s1 2252869522 WAHUNRBSFGGDNN-QMMMGPOBSA-N 474.062 6.429 50 10 JKGE Fc1cc(Cl)c(Br)cc1[C@@H](Cl)c1scc(Br)c1Cl 2253604829 ZPMSHWHKIPLJHF-SECBINFHSA-N 453.385 7.047 50 10 JKGE Cc1nc([C@@H](Br)c2c(Br)cc(C)c(F)c2C)c(Br)s1 2264469280 RTSZTCQPDLFJHE-JTQLQIEISA-N 472.015 6.217 50 10 JKGE Cc1cc(Br)c([C@@H](Br)[C@H]2COC3(CCC3)C2)cc1Br 2269308107 QHVGEJXAKXPHPT-YGRLFVJLSA-N 453.012 5.915 50 10 JKGE Fc1cc(Br)c(F)c(C[C@@H](Br)c2ccccc2Br)c1 2272898111 QFDBNMSAEQMMEI-GFCCVEGCSA-N 454.934 6.169 50 10 JKGE COc1cc(OC)c([C@H](Br)c2sncc2Br)cc1Br 2278016910 JMOMMTFRUYIKJG-NSHDSACASA-N 471.996 5.170 50 10 JKGE COc1ccc([C@@H](Br)c2cc(F)c(F)cc2Cl)cc1I 2285003655 RFPWYTBJRJSJTJ-CQSZACIVSA-N 473.482 5.716 50 10 JKGE N#CC(=Cc1cn(Cc2cccc([N+](=O)[O-])c2)c2ccccc12)C(=O)Nc1cccc(Cl)c1Cl 2294146919 CDDJUHPGIQPBKD-UHFFFAOYSA-N 491.334 6.450 50 10 JKGE COc1c(Br)cc([C@H](Br)c2cscc2Br)c(OC)c1C 2295427658 HDYHLTYNSMXIFN-LBPRGKRZSA-N 485.035 6.083 50 10 JKGE Cc1c(Cl)cccc1NC=C(C#N)c1nc(-c2cc3c(ccc4ccccc43)oc2=O)cs1 2296790029 KDPVEONXIVPYDY-UHFFFAOYSA-N 469.953 7.008 50 10 JKGE N#CC(=Cc1ccc(Cl)cc1)C(=O)Nc1ncc(Cc2ccc(Br)cc2)s1 2296833319 WUZMGEMVUPBPTL-UHFFFAOYSA-N 458.768 5.695 50 10 JKGE N#CC(=Cc1c(-c2ccccc2)n(-c2ccccc2)c2ccccc12)C(=O)Nc1ccccc1F 2297387995 SECOERWWFWTCEP-UHFFFAOYSA-N 457.508 6.982 50 10 JKGE COCc1csc([C@@H](Br)c2sc(Cl)cc2I)c1 2300956904 HAFSILCEPUCSMA-SNVBAGLBSA-N 463.587 5.698 50 10 JKGE COc1cc(C=C(C#N)c2ccccc2)cc(Br)c1OCc1ccc(Cl)cc1 2313521574 XHXBYAILQGQNRW-UHFFFAOYSA-N 454.751 6.754 50 10 JKGE COc1cc(C=C(C#N)C(=O)Nc2ccc(C)cc2)c(Br)cc1OCc1cccc(F)c1 2313567196 CTZOAMNTZDDRNJ-UHFFFAOYSA-N 495.348 6.030 50 10 JKGE Cc1ccc(NC(=O)C(C#N)=Cc2ccccc2OCc2ccc(Cl)cc2Cl)cc1C 2313683464 JOLGXFVQHBUWMS-UHFFFAOYSA-N 451.353 6.735 50 10 JKGE C[C@H](c1ccccc1)[C@@H](Br)c1cc(Br)ccc1OCc1ccccc1 2314449074 MYMYNNWDBNJOCL-OPAMFIHVSA-N 460.209 7.268 50 10 JKGE CCOC(=O)c1c(NC(=O)C(C#N)=Cc2ccc(-c3nc4ccccc4s3)o2)sc(C)c1C 2314488296 WAPXILPECNGUAZ-UHFFFAOYSA-N 477.567 5.957 50 10 JKGE CCOC(=O)c1c(NC(=O)C(C#N)=Cc2ccc(-c3ccc(Cl)cc3)o2)sc(C)c1C 2314572005 QKUACJCAOITIJD-UHFFFAOYSA-N 454.935 6.001 50 10 JKGE CC1=C(C#N)C(=O)N(C(C)C)C(=O)C1=Cc1cn(-c2ccccc2)nc1C12CC3CC(CC(C3)C1)C2 2314611262 RTSQERBBSYTBNI-UHFFFAOYSA-N 480.612 5.341 50 10 JKGE CCCCNC(=O)C(C#N)=Cc1ccc(OC(=O)C(=Cc2ccccc2)c2ccccc2)cc1 2314777584 LFOYVVQNSYDWOB-UHFFFAOYSA-N 450.538 5.656 50 10 JKGE CCCCNC(=O)C(C#N)=Cc1ccc(OC(=O)[C@H](C)Oc2cc(C)c(Cl)c(C)c2)cc1 2314789616 OOFCZGPTTQUCNM-SFHVURJKSA-N 454.954 5.153 50 10 JKGE CCCCCCOc1ccc(C=C(C#N)C(=O)Nc2nc(-c3ccccc3OC)cs2)cc1OC 2314793604 VCIBQJLIYOBEBK-UHFFFAOYSA-N 491.613 6.332 50 10 JKGE CC(C)(C(F)F)[C@H](Br)c1c(Cl)cc(Br)c(F)c1Br 2315459162 UQHOTHAUHKGETA-SECBINFHSA-N 473.352 6.731 50 10 JKGE CC(C)c1ccc(-c2csc3nc(SCC(=O)NN=Cc4ccccc4)nc(O)c23)cc1 2320486416 KZSLHFSFGLMWHW-UHFFFAOYSA-N 462.600 5.430 50 10 JKGE CC(C)[C@H]1[C@H](Br)CCN1Cc1ccc(I)c(Br)c1 2325209589 PJCKTLKSQYBVJY-RISCZKNCSA-N 487.017 5.048 50 10 JKGE Cc1cc(OCc2cccc(CCl)c2)cc2c1C(=O)C(=Cc1cccc(Br)c1)O2 2325361176 YLKAAVWXEZVMNY-UHFFFAOYSA-N 469.762 6.692 50 10 JKGE CCCCc1ccc(-c2csc(C(C#N)=C(O)COc3ccc(Cl)cc3Cl)n2)cc1 2331256146 ZERRRULOGRQJAQ-UHFFFAOYSA-N 459.398 7.331 50 10 JKGE N#CC(=C(O)CCCOc1ccccc1)c1nc(-c2ccc(Oc3ccccc3)cc2)cs1 2331358928 FYYFXLVIUIEUAS-UHFFFAOYSA-N 454.551 7.254 50 10 JKGE Fc1cc(Cl)c(Br)c(Cl)c1[C@H](Br)C(F)(F)C(F)(F)F 2335290159 NXKWZHPMYBPBNG-ZETCQYMHSA-N 454.817 6.529 50 10 JKGE Cc1cc(Br)c(F)c(Br)c1[C@H](Br)C1(CC(C)C)CC1 2339657371 XMRQTXIANLKDDJ-AWEZNQCLSA-N 457.019 6.921 50 10 JKGE Clc1ccc(I)cc1C[C@]1(CBr)CCO[C@@H]1C1CC1 2352371272 YCCQIKPXVZIHRK-CABCVRRESA-N 455.561 5.067 50 10 JKGE Brc1ccc(Br)c([C@H](Br)[C@H]2C[C@@H]3CCCCCC[C@@H]32)c1 2354878337 UFMIVIZERMUWME-PLNCSYRRSA-N 465.067 7.254 50 10 JKGE C[C@]1(C(F)(F)F)C[C@H]1[C@@H](Cl)c1c(Cl)cc(Br)c(F)c1Br 2362232199 KVWFOENMRNXQGD-LIFQFUSDSA-N 458.902 6.873 50 10 JKGE Cc1cc(Br)c(F)c(Br)c1[C@@H](Cl)c1cc2cscc2s1 2365191893 SEWXXGBACHLFSX-ZDUSSCGKSA-N 454.611 7.264 50 10 JKGE CCCC(CBr)(CCC)CN1CC(F)(F)[C@](C)(CNC(=O)OC(C)(C)C)C1 2379683088 PRDHCTVCLXOWLS-GOSISDBHSA-N 455.428 5.450 50 10 JKGE Fc1cc(Br)cc(OCc2cc(I)ccc2Cl)c1CCl 2380346055 IXDDVBCQPWJEHP-UHFFFAOYSA-N 489.937 6.164 50 10 JKGE O=C(NC1CCCCC1)[C@@H](c1ccc(Cl)cc1)N(CCC1=CCCCC1)C(=O)CCl 3035256 NWZCTYWNBZWADT-HSZRJFAPSA-N 451.438 5.788 50 10 JKGE C=CCOc1c(Br)cc(/C=C(\C#N)c2ccc(Cl)cc2)cc1Br 3217510 MCHGXYCZTNKNIR-RIYZIHGNSA-N 453.561 6.494 50 10 JKGE COc1ccccc1NC(=O)/C(C#N)=C/c1c(C)nn(Cc2c(Cl)cccc2Cl)c1Cl 28911919 SFKUPYYQVFMOFJ-GXDHUFHOSA-N 475.763 5.754 50 10 JKGE CC(C)=CCC/C(C)=C/C[C@]12OC(C)(C)[C@@H](Cl)C[C@]1(Cl)C(=O)c1c(cc(O)c(C)c1O)C2=O 33984414 ZLFOHASQVSADOU-FWAAWVPBSA-N 495.443 6.391 50 10 JKGE in-vitro C[C@H](Oc1ccc(F)cc1)C(=O)Oc1ccc2c(c1)OC(N)=C(C#N)[C@H]2c1ccc(Cl)cc1 38651373 XRRQBKMQPYLFBQ-PSLXWICFSA-N 464.880 5.070 50 10 JKGE CCCOc1cccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4ccc(OC(C)C)cc4)ccc32)c1 38684438 BXXDJZXWKMQAAI-HHHXNRCGSA-N 484.552 5.700 50 10 JKGE COc1ccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4oc5cc(C)c(C)cc5c4C)ccc32)cc1 38687386 BWOSEIPLWRZVOQ-SANMLTNESA-N 480.520 5.804 50 10 JKGE Cc1cc2oc(C(=O)Oc3ccc4c(c3)OC(N)=C(C#N)[C@H]4c3ccc(F)cc3)c(C)c2cc1Cl 38688083 SZRZPZSJQCMOSE-DEOSSOPVSA-N 488.902 6.280 50 10 JKGE O=C(CSc1c(Cl)c(Cl)c(Cl)c(Cl)c1Cl)N/N=C/c1c(O)cc(O)cc1O 59167290 HEYLVAWGIRMJOS-WSVFEZOKSA-N 490.579 5.313 50 10 JKGE CCC[C@H](CBr)COc1c(Br)cc(Br)cc1Br 96871031 UAJCYGRXAUTXGO-MRVPVSSYSA-N 493.859 6.164 50 10 JKGE Fc1ccc([C@H](Br)c2cc(Cl)c(Br)cc2F)c(Br)c1 97895823 HQOPRDYPSLUZGL-ZDUSSCGKSA-N 475.352 6.628 50 10 JKGE COc1ccc([C@H](C(=O)NC2CCCCC2)N(Cc2ccc(Cl)cc2)C(=O)CCl)cc1 97914319 DYDCSROFIYFSEW-HSZRJFAPSA-N 463.405 5.106 50 10 JKGE COc1ccc(OC)c([C@@H](C(=O)NC2CCC(C)CC2)N(Cc2ccc(C)cc2)C(=O)CCl)c1 97914771 TUPOQHNSHXKMKY-WGJJQBRPSA-N 487.040 5.016 50 10 JKGE Cc1ccc(S(=O)(=O)/C(C#N)=C\c2c(Oc3ccccc3Cl)nc3c(C)cccn3c2=O)cc1 102683026 GORANMZSEAXXOU-RGEXLXHISA-N 491.956 5.095 50 10 JKGE N#C/C(=C/Nc1ccc(Br)cc1F)c1nc(-c2ccc(Cl)cc2Cl)cs1 102937463 FKJXIWYDUAVFTE-NTMALXAHSA-N 469.166 6.995 50 10 JKGE Brc1cc([C@H](Br)c2cc3c(s2)CCCCC3)c(Br)s1 109869752 MWWFWMRERABBDA-ZDUSSCGKSA-N 485.104 7.088 50 10 JKGE CCCCOCCC(CBr)(CBr)c1ccc(Br)cc1 118671767 QHBJHXAQIFWKCL-UHFFFAOYSA-N 457.044 5.684 50 10 JKGE O=S(=O)(NC1(CBr)CCCCC1)c1c(Cl)cc(Br)cc1Cl 136564789 LMEFVJBBBGSRPV-UHFFFAOYSA-N 480.049 5.132 50 10 JKGE Cc1cc(Br)cc(CBr)c1OCc1ccc(I)cc1 160883464 RDXSXDZMCOJNDG-UHFFFAOYSA-N 495.980 5.836 50 10 JKGE Brc1ccc(Br)c([C@@H](Br)c2ccc3c(c2)OCCCO3)c1 161078773 PSCQEFKHQKURPR-INIZCTEOSA-N 476.990 5.857 50 10 JKGE CCOc1cc(/C=N\NC(=O)c2ccc3[nH]c(Cc4ccccc4)nc3c2)ccc1OC(C)C 169925730 SEVLQWMEMGRMNY-QRQIAZFYSA-N 456.546 5.104 50 10 JKGE COc1cc(/C=C(/C#N)c2nc3ccccc3s2)cc([N+](=O)[O-])c1OCc1ccc(C)cc1 169939399 BAZZMNWOLKQPDQ-ODLFYWEKSA-N 457.511 6.165 50 10 JKGE CCCn1c(C)cc(/C=C(\C#N)C(=O)Nc2nc(-c3ccc([C@H](C)NC(C)=O)cc3)cs2)c1C 213856482 AZGHRDNBDLIQIE-WQGFDPGOSA-N 475.618 5.381 50 10 JKGE CCCCCN1C(=O)C(C#N)=C(C)/C(=C/c2cn(-c3ccccc3)nc2-c2cccc(OC)c2)C1=O 214235198 GVYFOEMSEYWCDX-UQQQWYQISA-N 480.568 5.330 50 10 JKGE C[C@@]12CC3CC([C@@H](Br)c4cc(Cl)c(Br)s4)(C1)C[C@@](C)(C3)C2 226737309 QCVGBCHMXLECMB-UNQNOCORSA-N 452.683 7.597 50 10 JKGE Clc1cnccc1C[C@H](Br)c1cc(Br)cc(Br)c1 236036602 JUDKCYJEMUFGFB-LBPRGKRZSA-N 454.387 5.939 50 10 JKGE Clc1cccc(COc2c(Br)cc(CBr)cc2Br)c1 236064439 SHDQRGIJIQZSPQ-UHFFFAOYSA-N 469.398 6.339 50 10 JKGE COc1cccc(C=NNC(=O)CSc2cccc3ccccc23)c1OCc1ccc(C#N)cc1 254401642 WNTOPDPHGAAXCU-UHFFFAOYSA-N 481.577 5.541 50 10 JKGE O=C(COc1ccc(-c2ccccc2)cc1)NN=Cc1ccc(OC(=O)c2ccccc2)cc1 254869299 HNEUPRSHTRZVBQ-UHFFFAOYSA-N 450.494 5.102 50 10 JKGE COc1cc(C=NNC(=O)[C@H](C)Oc2cc(C)c(Cl)c(C)c2)ccc1OCc1ccccc1 256017535 RCLZTBGZBLHEGM-IBGZPJMESA-N 466.965 5.462 50 10 JKGE CCc1cc(C)sc1[C@@H](Br)c1cc(Br)sc1Br 379864249 RHCQXSKDNQZFDN-JTQLQIEISA-N 459.066 6.690 50 10 JKGE Clc1cccc(C(CBr)(CBr)Cc2ccc(Br)o2)c1 380831397 SZGCAYODESIRKP-UHFFFAOYSA-N 471.414 5.966 50 10 JKGE COc1ccc([C@H](Br)c2ccccc2OCc2ccccc2)c(Br)c1 394101974 WBUGRBXMDZMIIV-NRFANRHFSA-N 462.181 6.521 50 10 JKGE Cc1cc(F)c([C@@H](Br)c2cc(Br)cc(Br)c2)cc1Cl 395571650 NJUKILKFUVFZDZ-AWEZNQCLSA-N 471.389 6.797 50 10 JKGE COCc1cc(Br)c([C@H](Cl)c2cc(Br)sc2Br)s1 688112426 HNAABFHWYHEYQB-SECBINFHSA-N 495.483 6.572 50 10 JKGE CC(C)(C)c1ccc([C@H](Br)c2scc(Br)c2Br)s1 705436575 AKGICRAYGYLPGM-NSHDSACASA-N 473.093 7.116 50 10 JKGE Cn1cc(COc2c(Br)cc(Br)cc2CCl)c(Br)n1 714080291 HTMOWIGNHBLYKD-UHFFFAOYSA-N 473.390 5.025 50 10 JKGE Cc1cccc(C(CBr)(CBr)C[C@H](C)COCc2ccccc2)c1 719446340 ZLYJBDODIGGGHZ-SFHVURJKSA-N 454.246 6.266 50 10 JKGE Cc1cc(Br)cc(Br)c1OCC(=O)NN=C(c1ccccc1)C(C)C 1084003232 KLHKJHNHKLNNIX-UHFFFAOYSA-N 468.189 5.075 50 10 JKGE CCOc1cc(/C=C(/C#N)C(=O)Nc2ccc(C)cc2)cc(Cl)c1OCc1ccccc1F 1084318561 IOIVSXSEHGLEMQ-NDENLUEZSA-N 464.924 6.311 50 10 JKGE O=C(NN=Cc1ccc(Br)cc1)c1ccc(CSc2ccc(Cl)cc2)cc1 1084341926 VKKUMDBGNRHAIP-UHFFFAOYSA-N 459.796 6.159 50 10 JKGE CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(C)cc2C)cc(I)c1OCC 1084638535 OPYYFXGNSSITGT-LICLKQGHSA-N 490.341 5.251 50 10 JKGE CCCOc1ccc2cc(C(=O)ON=C3C[C@H]4CC[C@@]3(C)[C@]4(C)CBr)c(=O)oc2c1 1772721816 WHGOGAJUINOKEW-DURYTUKUSA-N 476.367 5.316 50 10 JKGE Cc1ccccc1C(=O)NN=C1CCCc2oc(C(=O)Nc3cc(Cl)cc(Cl)c3)c(C)c21 1772744468 XZHLATFRTORMCI-UHFFFAOYSA-N 470.356 5.926 50 10 JKGE N#CC1=C(N)Oc2c(c(-c3ccccc3)nn2Cc2ccccc2Cl)[C@H]1c1ccc(Cl)cc1 1865683299 IKKNFTSLJSEZKJ-QFIPXVFZSA-N 473.363 6.123 50 10 JKGE N#CC1=C(N)Oc2c(c(C(F)(F)F)nn2-c2ccc(Cl)cc2)[C@@H]1c1cc(Cl)ccc1O 1865689121 KJUXMRULAGLASQ-OAHLLOKOSA-N 467.234 5.122 50 10 JKGE CCCc1nn(CC)c2c1[C@@H](c1ccc(OCc3ccc(Cl)cc3Cl)cc1)C(C#N)=C(N)O2 1865700997 JIYXGBVTZAGEAF-QFIPXVFZSA-N 483.399 5.959 50 10 JKGE COc1cc([C@H]2C(C#N)=C(N)Oc3c2c(C(F)(F)F)nn3-c2cccc(Cl)c2)cc(Cl)c1O 1865707102 NOLYKRQXCYALCI-HNNXBMFYSA-N 497.260 5.130 50 10 JKGE COc1ccc(-c2nn(-c3cccc(Cl)c3)c3c2[C@H](c2ccccc2[N+](=O)[O-])C(C#N)=C(N)O3)cc1 1865709912 JXXNEHRALRWYOC-JOCHJYFZSA-N 499.914 5.328 50 10 JKGE CCCOc1ccc(/C=N\NC(=O)c2ccc(-c3ccc(Cl)cc3Cl)nc2C)cc1OCC 1865760625 HHMWBUABQRETDC-MBTHVWNTSA-N 486.399 6.315 50 10 JKGE N#C/C(=C\c1ccc(Br)cc1)C(=O)Nc1ccc(OCc2ccc(Cl)cc2)cc1 1866128674 FOJXVPGHJLAIPG-QGOAFFKASA-N 467.750 6.227 50 10 JKGE CSCC[C@H](NC(=O)C[C@H](c1ccccc1)C1CC1)C(=O)Nc1ccc(SC#N)cc1 1866731820 WPVMIONNRZUHLF-YADHBBJMSA-N 453.633 5.020 50 10 JKGE CCCC[C@H](NC(=O)C[C@@H](c1ccccc1)c1cccc(F)c1)C(=O)Nc1ccc(SC#N)cc1 1866774767 CXZYCNOJMVPIFD-UIOOFZCWSA-N 489.616 6.235 50 10 JKGE CC[C@@H]1CCCN1c1cc(Nc2ccc(SC#N)cc2)nc(-c2ccc(C(C)(C)C)cc2)n1 1868545558 ZUFNQAIUZFOOIU-JOCHJYFZSA-N 457.647 7.137 50 10 JKGE N#C/C(=C(/O)c1ccccc1I)c1nc(-c2ccc3ccccc3c2)cs1 1872745576 UFMFRPKZLLPGPV-UZYVYHOESA-N 480.330 6.518 50 10 JKGE CCCCOc1ccc(/C(O)=C(\C#N)c2nc(-c3ccc([N+](=O)[O-])cc3)cs2)cc1OCC 1872747154 PUFHHFKSMAFGMC-NMWGTECJSA-N 465.531 6.246 50 10 JKGE N#C/C(=C(/O)c1ccc2c(c1)C(=O)N(Cc1ccco1)C2=O)c1nc(-c2ccc(Cl)cc2)cs1 1872748242 OTFHLWXAKJESAI-XDOYNYLZSA-N 487.924 5.803 50 10 JKGE CCOc1ccc(CC/C(O)=C(\C#N)c2nc(-c3ccc4c(c3)OCCO4)cs2)cc1OC 1872750306 BBVDBUZSYPWPTF-ZZEZOPTASA-N 464.543 5.414 50 10 JKGE COc1ccc(C(C)(C)C)cc1-c1csc(/C(C#N)=C(\O)c2cc([N+](=O)[O-])ccc2Cl)n1 1872751812 VFKXSYSNRYHGRM-FXBPSFAMSA-N 469.950 6.628 50 10 JKGE COc1ccc(-c2csc(/C(C#N)=C(\O)COc3ccc(Cl)cc3Cl)n2)c(C)c1C 1872753710 JNGZUEAKHQCPGY-MNDPQUGUSA-N 461.370 6.614 50 10 JKGE COc1cc(Cl)c(C)cc1-c1csc(/C(C#N)=C(\O)CCCOc2ccc(Cl)cc2)n1 1872756932 IIKCVJVEWVSJRR-UZYVYHOESA-N 475.397 7.086 50 10 JKGE C[C@@H](c1ccccc1)N1C[C@@H](/C(O)=C(\C#N)c2nc(-c3ccc4ccccc4c3)cs2)CC1=O 1873941126 XQXCVIUODPNULK-YRGJOJKVSA-N 465.578 6.366 50 10 JKGE CCc1nn(C)c(C[C@@H](Br)c2ccc(Br)cc2)c1Br 1877158675 CJPPFVQNEPCVCH-LLVKDONJSA-N 451.000 5.186 50 10 JKGE CC[C@@H](Br)CN(Cc1ccccc1)c1ccc(C(F)(F)F)cc1Br 1915085079 WSYBOLVDJIXVNS-OAHLLOKOSA-N 465.151 6.648 50 10 JKGE C[C@@H](CCBr)N(Cc1ccccc1)C(=O)c1cc(Cl)cc(Br)c1 1915130665 NVJSAFRSTBKLHJ-ZDUSSCGKSA-N 459.609 5.918 50 10 JKGE Brc1cc(Br)c([C@H](Br)[C@@H]2CCC[C@H]3CCCC[C@@H]32)s1 1922882232 LHYXPSWBEIDRSV-FBKDDSFISA-N 471.096 7.316 50 10 JKGE FC1(F)[C@@H]([C@H](Br)c2sc(Br)cc2Br)C12CCCC2 1922905970 FDWMXYVPQJMVGV-SCZZXKLOSA-N 464.995 6.535 50 10 JKGE Cl[C@@H](Cc1ncccc1Br)c1cccc(Br)c1Br 1924884711 HAHWATSSLDPEBK-NSHDSACASA-N 454.387 5.892 50 10 JKGE Clc1sc(Br)c(Cl)c1[C@H](Br)Cc1cccc(Br)c1 1925590474 YEGKOTRLVOJGLM-MRVPVSSYSA-N 493.873 7.259 50 10 JKGE Cc1sc(C)c([C@H](Br)c2csc(Br)c2Br)c1C 1945189554 SZMMKSAPTXYKIR-SNVBAGLBSA-N 459.066 6.744 50 10 JKGE CC1(C)CC(C[C@H](Cl)c2c(Br)sc(Br)c2Br)C1 1949733814 LPYZIFHVEAQNCH-ZETCQYMHSA-N 465.476 7.142 50 10 JKGE CC(C)(C)OC(=O)N1CC(N(Cc2ccccc2)C[C@@H](CBr)c2ccccc2)C1 1959575344 MKYJVRMHSPTIDY-OAQYLSRUSA-N 459.428 5.287 50 10 JKGE C[C@@H](C[C@H](Br)c1c(Br)sc(Br)c1Br)C1CC1 1983717861 ZFKBSBFLFJFLIG-FSPLSTOPSA-N 495.900 6.908 50 10 JKGE CC[C@@H](C)N(Cc1ccccc1)S(=O)(=O)c1ccc(CBr)c(Br)c1 2009709881 BOXZEPSNIJIPIJ-CQSZACIVSA-N 475.246 5.333 50 10 JKGE Cc1cc(Cl)c(Br)cc1[C@@H](Br)c1cc(Br)cs1 2023699812 HRBFYZMBNCDAON-GFCCVEGCSA-N 459.428 6.719 50 10 JKGE Cc1ncsc1COc1c(Br)cc(CBr)cc1Br 2034983497 FXOGIFMPAJLRGJ-UHFFFAOYSA-N 455.997 5.450 50 10 JKGE Cc1csc([C@H](Br)c2cc(Cl)c(Br)cc2F)c1Br 2039335362 BMCHYRWYVIPIRQ-LLVKDONJSA-N 477.418 6.858 50 10 JKGE CC(C)CN1CCCc2cc(C=C(C#N)c3nc(CCN4C(=O)c5ccccc5C4=O)cs3)ccc21 2040744331 MWDMHTFDCHQUCO-UHFFFAOYSA-N 496.636 5.455 50 10 JKGE Brc1cc([C@H](Br)[C@@H]2CCn3ccnc3C2)c(Br)s1 2046633765 MPUKZLRRSAIDBX-RDDDGLTNSA-N 455.013 5.168 50 10 JKGE COC1(C[C@@H](Br)c2c(Br)sc(Br)c2Cl)CCCC1 2049788918 QGMXHMUPKSWAJK-SSDOTTSWSA-N 481.475 6.712 50 10 JKGE Cc1nc([C@H](Br)c2cc(Br)c(Cl)cc2C)c(Br)s1 2082377604 SDNGYNNYWYHAFE-SNVBAGLBSA-N 474.443 6.423 50 10 JKGE COc1c(Cl)cc(Br)cc1[C@@H](Br)c1ccsc1Br 2082860781 GMYRQBPUUYXTCM-JTQLQIEISA-N 475.427 6.419 50 10 JKGE Cc1cccc(Br)c1[C@H](Br)c1c(Br)sc(C)c1C 2082886355 WMFOGKUFGUVUIH-ZDUSSCGKSA-N 453.037 6.683 50 10 JKGE Cc1ccccc1C[C@@H](Br)c1ccc(Br)cc1I 2086146045 UUAQRRVQEHYFMP-CQSZACIVSA-N 479.981 6.041 50 10 JKGE Brc1cccc(CN2C[C@@H]3CC[C@@H](Br)C[C@H]3C2)c1Br 2092328400 LDACIJTVJFHOPO-WCFLWFBJSA-N 452.028 5.207 50 10 JKGE ClC[C@H](Cc1cccc(Br)c1Br)c1cccc(Br)c1 2092335717 PVCCCRZGCQYDIM-LBPRGKRZSA-N 467.426 6.539 50 10 JKGE Fc1cccc(Br)c1[C@H](Br)c1cc(C2CC2)c(Br)s1 2094674662 XTTUZUWKLUAJDW-CYBMUJFWSA-N 469.011 6.774 50 10 JKGE C[C@@H](CCn1c(CCl)nc2cc(Br)c(Cl)cc21)N(C)Cc1ccccc1 2103623292 JXGUVZDQOFBOMF-AWEZNQCLSA-N 455.227 6.102 50 10 JKGE BrCc1ccc(N2CC[C@@]3(CCCN(Cc4ccccc4)C3)C2)c(Br)c1 2107018729 ZCEWNAAVDQHCBM-JOCHJYFZSA-N 478.272 5.837 50 10 JKGE Fc1c(Br)ccc(C[C@H](Br)c2cccc(Br)c2)c1F 2113495982 TUDCBHLKTYTUOY-LBPRGKRZSA-N 454.934 6.169 50 10 JKGE Cc1cc(Br)c(CBr)c(N2C[C@H](C)N(Cc3ccccc3)[C@H](C)[C@@H]2C)c1 2116826725 WHMDIIUFPKPJKF-KSZLIROESA-N 480.288 6.140 50 10 JKGE C[C@H](c1cscc1Br)N(C)c1ccc(Br)cc1CBr 2130024305 KAERZQVVSFOUPG-SECBINFHSA-N 468.052 6.365 50 10 JKGE Fc1cc(C[C@@H](Br)c2ccccc2Br)cc(F)c1Br 2142263670 LAEGFNYBAGFAQH-LLVKDONJSA-N 454.934 6.169 50 10 JKGE C[C@@H]1CCC[C@]12[C@@H](Cl)C[C@@H]2Oc1c(Br)cc(Br)cc1Br 2173617956 FXBJNSXGFIDIAA-UMXXFWPTSA-N 487.457 6.539 50 10 JKGE COc1cc(C)c([C@@H](Br)c2ccc(Br)cc2F)cc1Br 2198738282 YUOMTOFLZSJDEA-HNNXBMFYSA-N 466.970 6.152 50 10 JKGE CCC[C@H](CC(C)C)[C@@H](Br)c1c(C)c(Br)cc(C)c1Br 2201081980 LSIKYTLPUNHJKU-CXAGYDPISA-N 469.099 7.727 50 10 JKGE Cc1sc(C(=O)N(Cc2ccccc2)[C@H](C)CCBr)c(Br)c1C 2211911922 IEFMKTKOLQAHBD-GFCCVEGCSA-N 459.247 5.943 50 10 JKGE Clc1cc(Cl)cc(C[C@@H](Br)c2cc(I)sn2)c1 2217392925 AJYLQNBYCCOXFM-SECBINFHSA-N 462.965 5.733 50 10 JKGE Cc1c(Br)sc([C@@H](Br)Cc2cccc(Br)c2)c1C 2218791776 UKSANTZAGMWXAV-LBPRGKRZSA-N 453.037 6.569 50 10 JKGE Cc1ccc([C@@H](Br)c2cc(Br)c(Br)cc2F)c(Cl)c1 2225616624 HKKQKCJRARDTFS-CQSZACIVSA-N 471.389 6.797 50 10 JKGE Fc1ccc(C(CBr)(CBr)Cc2ncsc2Br)cc1 2226132972 HIXPARYIOXLGLF-UHFFFAOYSA-N 472.015 5.315 50 10 JKGE Clc1cc(Br)c([C@@H](Cl)Cc2cccc(Br)c2)c(Cl)c1Cl 2232512971 PLQANTADOQRPJY-JTQLQIEISA-N 477.838 7.694 50 10 JKGE Clc1cc(Br)c([C@H](Br)[C@@H]2CC23CCCCC3)c(Cl)c1Cl 2232529871 ZFEXGSPLNJUKGL-QPUJVOFHSA-N 461.452 7.816 50 10 JKGE Fc1cc2c(cc1Br)nc(CCCl)n2C[C@@H]1CC1(Br)Br 2233040195 OESMCMMFWQIWRH-ZETCQYMHSA-N 489.408 5.225 50 10 JKGE CC(C)(C)OC(=O)N1CCC(CI)(OCC23CC4CC(CC(C4)C2)C3)CC1 2240697210 YRPKLZQOUKMFGW-UHFFFAOYSA-N 489.438 5.424 50 10 JKGE Cc1cc(Cl)c(Cl)cc1[C@@H](Cl)c1ccc(I)c(Br)c1 2264376807 JLSXLTXAPFKCLP-AWEZNQCLSA-N 490.393 6.997 50 10 JKGE Fc1cc(Cl)c(Br)cc1[C@H](Cl)c1c(F)cccc1I 2267742034 YDLYEJQURIJBIE-ZDUSSCGKSA-N 477.901 6.314 50 10 JKGE COc1cc(Br)c([C@@H](Cl)c2c(F)cccc2I)cc1C 2282888008 JJVFOVGKIYKXRS-OAHLLOKOSA-N 469.519 5.838 50 10 JKGE COc1ccc([C@H](Br)[C@H]2CC[C@@]3(C2)CC3(F)F)cc1I 2284998763 MRCWVNWEDGTCNN-LEWSCRJBSA-N 457.096 5.561 50 10 JKGE Cc1ccccc1C[C@H](Br)c1c(F)cc(Br)c(F)c1Br 2288362861 KRUMXAIBAREVKQ-JTQLQIEISA-N 468.961 6.477 50 10 JKGE Fc1cc(Br)c(F)c(Br)c1[C@H](Br)C[C@H]1CCCOCC1 2288373278 HJRWPJGJPKFDRC-DTWKUNHWSA-N 476.981 6.133 50 10 JKGE CC(C)(C[C@@H](Br)c1c(F)cc(Br)c(F)c1Br)C(F)(F)F 2288375789 HFGLPTUKDVAMPJ-ZCFIWIBFSA-N 488.914 6.904 50 10 JKGE O=C(CSc1nnc(SCc2ccccc2)s1)NN=CC(Cl)=Cc1ccccc1 2293559195 MUVZOXGFVHCPFR-UHFFFAOYSA-N 461.037 5.304 50 10 JKGE COc1cc(C)c(Cl)cc1[C@H](Br)c1cccc(F)c1I 2295292657 UTZLTWXZWCOCLV-CQSZACIVSA-N 469.519 5.885 50 10 JKGE Brc1cc(Br)cc(C[C@H](Br)[C@@H]2C[C@@H]2C2CCCCC2)c1 2295334132 SBANQPHOOWWMJN-ZACQAIPSSA-N 465.067 6.734 50 10 JKGE Brc1cc(Br)cc(C[C@H](Br)[C@]23CCCC[C@@H]2CCC3)c1 2295343085 RRTRQOXOEAGQEY-COXVUDFISA-N 465.067 6.878 50 10 JKGE CCc1ccc(-c2csc(C(C#N)=CNc3ccccc3OC(F)(F)[C@H](F)Cl)n2)cc1 2295945873 MJAIXSOSBBNFCP-NRFANRHFSA-N 463.912 6.855 50 10 JKGE N#CC1=C(N)OC2=C(CCCC2=Cc2cccc(Br)c2)[C@@H]1c1cccc(Br)c1 2296736692 GFXFWHBCSPOBRV-NRFANRHFSA-N 498.218 6.541 50 10 JKGE Cc1nc(Br)c([C@H](Cl)c2cc(Br)sc2Br)n1C 2300267509 KYVKGFVKYBOIHS-SSDOTTSWSA-N 463.420 5.406 50 10 JKGE Cc1ccc(NC(=O)C(C#N)=Cc2cc(Br)ccc2OCc2ccccc2F)c(C)c1 2313667040 DIDPFPKZFWTESW-UHFFFAOYSA-N 479.349 6.330 50 10 JKGE COc1cccc2cc(-c3nn(-c4ccccc4)cc3C=C(C#N)C(=O)N[C@@H](C)c3ccccc3)oc12 2314450820 VMHKMWWFQYUCTR-FQEVSTJZSA-N 488.547 6.078 50 10 JKGE N#CC(=Cc1ccc(N2N=C(c3ccccc3)C[C@H]2c2ccccc2)cc1)c1ccc(Cl)cc1Cl 2314482458 LLVPCUOAGHELAA-PMERELPUSA-N 494.425 8.413 50 10 JKGE CCOc1ccc(N2C(=O)[C@H](Cc3ccc(F)cc3)SC2=C(C#N)C(=O)Nc2ccccc2)cc1 2314592476 UXYBFPKCEMTKHB-DEOSSOPVSA-N 487.556 5.289 50 10 JKGE CCOC(=O)C(C#N)=Cc1ccc(OC(=O)CCCOc2ccc(C(C)C)c(C)c2)c(OC)c1 2314808189 VOLHMTJYNXHWAF-UHFFFAOYSA-N 465.546 5.362 50 10 JKGE CCCc1sc(Br)cc1[C@H](Br)c1cc(C)sc1Br 2316169374 CKMBHLCLWDVCJC-LBPRGKRZSA-N 473.093 7.080 50 10 JKGE Clc1cc(I)c([C@H](Br)c2cc3c(s2)CCOC3)s1 2316777669 PFECELSSNRYDJN-LLVKDONJSA-N 475.598 5.625 50 10 JKGE COc1cc(C=NNC(=O)c2c(C)ccc3ccccc23)cc(OC)c1OCc1ccccc1 2318417850 HXNVOEWAMKQTQV-UHFFFAOYSA-N 454.526 5.508 50 10 JKGE COc1ccc(C(C#N)=Cc2ccc(OC(=O)c3ccc(Br)cc3)c(OC)c2)cc1OC 2320506193 DNBQWBRVGJJFBD-UHFFFAOYSA-N 494.341 5.758 50 10 JKGE CC(C)[C@@H]1[C@H](Br)CCN1Cc1ccc(I)c(Br)c1 2325209587 PJCKTLKSQYBVJY-BXUZGUMPSA-N 487.017 5.048 50 10 JKGE FC(F)(F)[C@H]1C[C@@H]([C@@H](Br)c2ccc(OCc3ccccc3)cc2Br)C1 2327681638 RAWZXCWRADGJCL-QWQRMKEZSA-N 478.146 7.053 50 10 JKGE N#CC(=C(O)Cc1cc(Cl)ccc1Cl)c1nc(-c2ccc(-c3ccccc3)cc2)cs1 2331231571 CWBPSQHPJGOJKZ-UHFFFAOYSA-N 463.389 7.819 50 10 JKGE N#CC(=C(O)CCc1nc2ccccc2[nH]c1=O)c1nc(-c2ccc(Cl)cc2Cl)cs1 2331254685 OQAOILWZEDWBEM-UHFFFAOYSA-N 469.353 5.779 50 10 JKGE COc1ccc(C(C)(C)C)cc1-c1csc(C(C#N)=C(O)c2ccc(OCC(C)C)cc2)n1 2331351138 UJOSUMKCSSNOQV-UHFFFAOYSA-N 462.615 7.101 50 10 JKGE COc1cc(-c2csc(C(C#N)=C(O)c3cc(Cl)ccc3Cl)n2)c(OC)cc1Cl 2331377397 SYXVNLKQNIYGES-UHFFFAOYSA-N 467.761 6.737 50 10 JKGE Cc1cc(OCCCC(O)=C(C#N)c2nc(-c3cc(Cl)ccc3Cl)cs2)cc(C)c1Cl 2331404680 XAZWEEQWVUDQLK-UHFFFAOYSA-N 493.843 8.039 50 10 JKGE COc1ccc(-c2csc(C(C#N)=C(O)c3ccc(OCC(C)C)cc3)n2)c(OC)c1OC 2331412750 DGHYVNUYPSAYPX-UHFFFAOYSA-N 466.559 5.821 50 10 JKGE COc1cc(C=C(C#N)c2nc(-c3ccc(F)c(C)c3)cs2)ccc1OCCN1CCOCC1 2331447465 XVXGYZHZVQLROO-UHFFFAOYSA-N 479.577 5.041 50 10 JKGE N#CC(=Cc1c(OCc2ccccc2)ccc2ccccc12)c1nc(-c2cccc3ccccc23)cs1 2331456807 ITXNCMHODYIPHR-UHFFFAOYSA-N 494.619 8.760 50 10 JKGE Fc1cc(F)c([C@@H](Cl)c2c(Br)sc(Br)c2Br)cc1F 2336117101 UOHDJLYFZAUBOQ-SECBINFHSA-N 499.371 6.781 50 10 JKGE CC1(C)C[C@H]([C@@H](Br)c2c(Cl)cc(Br)c(F)c2Br)CO1 2337084567 MQTMFTLTKKHJMM-QUBYGPBYSA-N 479.409 6.255 50 10 JKGE Cc1cc(Cl)c([C@H](Br)c2c(Br)c(Br)nn2C)cc1C 2338721008 BCHSIMNEFKLQFZ-JTQLQIEISA-N 471.418 5.700 50 10 JKGE COc1c(Br)cc(C)c([C@H](Br)[C@@H]2OCC[C@@H]2C)c1Br 2339656926 SJRIBKUAPRKXKQ-LCHGKGQCSA-N 457.000 5.390 50 10 JKGE ClCC1C[C@@H]2CC[C@H](C1)N2Cc1ccc(I)c(Br)c1 2349830594 QVIXBYWNJKATSV-YHWZYXNKSA-N 454.577 5.036 50 10 JKGE FC(F)Oc1cccc([C@@H](Cl)c2ccc(OCc3ccccc3)cc2Br)c1 2361196229 VYTLISIAMWKOCU-HXUWFJFHSA-N 453.710 6.958 50 10 JKGE Fc1c(Br)cc(Cl)c([C@@H](Cl)C2CC3(C2)CC3(F)F)c1Br 2362230223 YGTCLCHYBPAHCX-CHANSOAMSA-N 452.923 6.719 50 10 JKGE FC1(F)C2(CCC2)C12CC(CBr)(Cc1sccc1I)C2 2364075834 KFQLINLRFCWLFM-UHFFFAOYSA-N 473.164 5.876 50 10 JKGE Cc1cc(Br)c(F)c(Br)c1[C@H](Br)[C@H]1Cc2ccccc21 2365182107 YTLWAFBWMSHHSO-SMDDNHRTSA-N 462.982 6.435 50 10 JKGE CC(C)[C@H](Br)C(C)(C)CNC(=O)c1c(Br)cccc1Br 2365848568 QHXADCYDHXQVJO-ZDUSSCGKSA-N 470.043 5.387 50 10 JKGE Cc1ccc(C[C@H]2S/C(=C(\C#N)C(=O)NCc3ccccc3)N(c3ccc(Cl)cc3)C2=O)cc1 935215 KFPCPYPHHLONNI-GUNDDFSMSA-N 488.012 5.391 50 10 JKGE Cc1ccc(C[C@H]2S/C(=C(\C#N)C(=O)Nc3ccc(F)cc3)N(c3ccccc3)C2=O)cc1 2329331 WSGBLUHFRIPAQA-QPQMVVSWSA-N 457.530 5.199 50 10 JKGE O=C(NNC(=O)c1sc2ccccc2c1Cl)c1ccccc1OCCOc1ccccc1 14040560 UYEOCEPHQIAXQJ-UHFFFAOYSA-N 466.946 5.087 50 10 JKGE COc1ccc(/C(C#N)=C\c2cccc(OC(=O)CCCOc3ccc(Cl)cc3Cl)c2)cc1 31903179 GJKLGAIKZCHSPC-ZHZULCJRSA-N 482.363 6.831 50 10 JKGE COc1cccc2cc(-c3nn(-c4ccccc4)cc3/C=C(\C#N)C(=O)NCc3ccccc3)oc12 33515848 KJWXJVYGLCCKNE-PXLXIMEGSA-N 474.520 5.517 50 10 JKGE Cc1cc([N+](=O)[O-])ccc1-c1ccc(/C=C(/C#N)C(=O)Nc2cc(C(F)(F)F)ccc2Cl)o1 33925653 DLXHLLWMXKDMDC-LCYFTJDESA-N 475.810 6.381 50 10 JKGE N#C/C(=C\c1cc([N+](=O)[O-])ccc1OCC(=O)Nc1ccccc1)c1nc2ccccc2s1 35519572 KIGOJXGPJHSAIS-SFQUDFHCSA-N 456.483 5.286 50 10 JKGE COc1ccccc1C(=O)Oc1ccc2c(c1)OC(N)=C(C#N)[C@H]2c1ccc(C(C)(C)C)cc1 38649698 PMIQHRFZGVLMTM-VWLOTQADSA-N 454.526 5.430 50 10 JKGE Cc1cc(OC(=O)c2oc3c(c2C)/C(=N/NC(=O)c2ccccc2C)CCC3)ccc1Cl 40811571 ZHEMJTPNKLDHBQ-NHFJDJAPSA-N 450.922 5.548 50 10 JKGE COc1cc(C)c(/C=N/NC(=O)c2ccc(-n3c(C)ccc3-c3ccccc3)cc2)cc1C(C)C 59679808 ZWFFVPRZBFVHLK-ZCTHSVRISA-N 465.597 6.657 50 10 JKGE CC(=O)[C@@H](Br)[C@H](C)c1c(Br)cc(Br)cc1Br 84398443 NNJGNZCWQCGPMD-GCXOYZPQSA-N 477.816 5.430 50 10 JKGE CCOC(=O)c1c(N/C=C(\C#N)c2nc(-c3ccc(C)cc3C)cs2)sc(C(C)=O)c1C 102924451 OOYJBMBJJCWJMZ-GZTJUZNOSA-N 465.600 6.153 50 10 JKGE Clc1cc2c(cc1[C@H](Br)c1ccc(I)cc1)OCCCO2 109866261 TUCVBORHUYXWMQ-MRXNPFEDSA-N 479.539 5.590 50 10 JKGE Brc1cc([C@H](Br)[C@@H]2CCCc3ccccc32)sc1Br 128200712 HNMFREVHKQDYGL-BXUZGUMPSA-N 465.048 6.829 50 10 JKGE CCOc1cc(Cl)c([C@H](Br)c2ccc(Br)cc2F)cc1Cl 164569939 CTFPGEAIYRKURA-OAHLLOKOSA-N 456.964 6.778 50 10 JKGE Clc1cc([C@@H](Br)c2ccc(Br)cc2)ccc1I 232342585 CVAXMWRKHLQDAG-ZDUSSCGKSA-N 486.372 6.191 50 10 JKGE COc1ccc(C)cc1[C@H](Br)c1ccc(I)c(Cl)c1 232343643 WXQWODKPMUPWNK-OAHLLOKOSA-N 451.529 5.746 50 10 JKGE CCOc1ccc(C)cc1[C@H](Br)c1ccc(Br)cc1Br 233781933 RAURXRRWGPGZQU-MRXNPFEDSA-N 463.007 6.403 50 10 JKGE Fc1ccc(C[C@H](Br)c2ccc(Br)cc2Br)cc1F 236170886 QFVRDZGVXNTAEY-NSHDSACASA-N 454.934 6.169 50 10 JKGE CC(C)CCC[C@@H](C)[C@@H]1CC[C@@H]2[C@H]3CC=C4C[C@@H](OC(=O)CCCCl)CC[C@]4(C)[C@@H]3CC[C@@]12C 253534575 FWOCLQPBUVEXDS-UQGZVAHQSA-N 491.200 8.959 50 10 JKGE 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 254352917 QICKSUTUHBCJRE-RDLXBQQTSA-N 470.694 6.716 50 10 JKGE CC(=NNC(=O)c1ccc2ccccc2c1O)c1cccc(NC(=O)c2csc3ccccc23)c1 254485203 JOFWJOSYTBDSRH-UHFFFAOYSA-N 479.561 6.166 50 10 JKGE CCCCCCCCCC(=O)NCC(=O)NN=Cc1ccc(OC(=O)c2ccc(OCC)cc2)cc1 254819555 UZTMSLRPLKZWAI-UHFFFAOYSA-N 495.620 5.012 50 10 JKGE CCn1c(SCC(=O)NN=C/C=C/c2ccccc2OC)nnc1-c1ccc(C(C)(C)C)cc1 254866884 WIBSESWUTKAPHS-PMZRFPHVSA-N 477.634 5.179 50 10 JKGE C[C@H](C(=O)Nc1cccc(-c2nc(CCl)cs2)c1)N(Cc1ccccc1)Cc1ccccc1 310713685 CWFIACYHFMYEPB-HXUWFJFHSA-N 476.045 6.578 50 10 JKGE COc1c(Br)cc(Cl)cc1[C@H](Cl)c1cccc(OCc2ccccc2)c1 312052139 BXKHGDRJOGKTMV-HXUWFJFHSA-N 452.175 7.018 50 10 JKGE Cc1ccc(C(CBr)(CBr)Cc2ncccc2Br)cc1 380791969 IQHRQNMYEGOCKW-UHFFFAOYSA-N 462.023 5.423 50 10 JKGE Fc1cc(Br)c([C@@H](Br)c2cccc(Br)c2Cl)c(F)c1F 398745196 UAXOWKQFPJONEN-JTQLQIEISA-N 493.342 6.767 50 10 JKGE CC(C)(C)OC(=O)NCCN1CCCOC[C@@H]1c1cccc(CCO[Si](C)(C)C(C)(C)C)c1 616597798 SPLXDEUHIOHSMR-HSZRJFAPSA-N 478.750 5.539 50 10 JKGE CO[C@@H]1CCC[C@H](C(CBr)(CBr)c2ccc(Br)cc2)C1 686321926 SKOPILDHWYPAPN-DZGCQCFKSA-N 469.055 5.682 50 10 JKGE BrCC(CBr)(Cc1cccc(Br)c1)C1CCCCC1 696827747 FBTHJJRXSVPANE-UHFFFAOYSA-N 453.056 6.348 50 10 JKGE BrCc1ccc(N2C[C@H]3CC[C@H]2[C@H]2CN(Cc4ccccc4)C[C@H]32)c(Br)c1 705886846 SVTIJROZRLQGKH-JBPLPALLSA-N 490.283 5.691 50 10 JKGE Fc1cccc([C@H](Br)c2cc(Cl)ccc2Cl)c1I 721680183 PQYVWXDHFLRTGP-LBPRGKRZSA-N 459.911 6.221 50 10 JKGE Fc1cc(COc2cccc(CBr)c2Br)ccc1Br 722001598 WEJRPLHCVSOBMA-UHFFFAOYSA-N 452.943 5.825 50 10 JKGE O=C1C(=NNC(=O)C(F)(F)C(F)(F)C(F)(F)F)c2ccccc2N1Cc1cccc2ccccc12 1083948469 AKHUXUYOMNJLAC-UHFFFAOYSA-N 497.370 5.040 50 10 JKGE Cc1c(Br)c(C=NNC(=O)[C@H](C)Sc2ccc(Cl)cc2)c(C)n1-c1ccccc1 1084337958 BWDZSYCUSFMJHY-INIZCTEOSA-N 490.854 6.141 50 10 JKGE CCOc1ccc([C@H]2C(C#N)=C(N)Oc3c2c(C(F)(F)F)nn3Cc2ccc(Cl)cc2)cc1 1865692610 DGJWQPFNQNLPII-SFHVURJKSA-N 474.870 5.220 50 10 JKGE COc1ccc(-c2nn(Cc3cccc(F)c3)c3c2[C@@H](c2ccc(F)cc2F)C(C#N)=C(N)O3)cc1 1865701801 FVFXYBWNTIDXCS-QHCPKHFHSA-N 488.469 5.242 50 10 JKGE CCc1ccc([C@H]2C(C#N)=C(N)Oc3c2c(-c2ccccc2)nn3-c2ccc(Cl)c(Cl)c2)cc1 1865709125 OISCJLQAGXVHFR-QHCPKHFHSA-N 487.390 6.627 50 10 JKGE N#CC1=C(N)Oc2c(c(-c3ccccc3)nn2-c2ccccc2Cl)[C@@H]1c1ccc(C(F)(F)F)cc1 1865711387 XAMKNYDDPKHMTF-OAQYLSRUSA-N 492.888 6.430 50 10 JKGE O=C(CCCSc1ccccc1)NNC(=O)c1cc(C(F)(F)F)cc(C(F)(F)F)c1 1865756273 PHKXIGPDPYNYFN-UHFFFAOYSA-N 450.404 5.058 50 10 JKGE COc1cc(/C=N\NC(=O)c2ccc(-c3ccc(F)cc3F)nc2C)ccc1OCc1ccccc1 1865760901 VMGXDOMMTRVPRM-ACXHZZMFSA-N 487.506 5.687 50 10 JKGE CCOC(=O)c1c(-c2ccc([N+](=O)[O-])cc2)csc1NC(=O)/C(C#N)=C/c1cccc(Cl)c1 1866130054 YDRXBLAUIJLYOV-MHWRWJLKSA-N 481.917 5.699 50 10 JKGE CCCC[C@H](NC(=O)C[C@H](c1ccc(F)cc1)C(C)C)C(=O)Nc1ccc(SC#N)cc1 1866749016 OODFKPCICMFLGA-GOTSBHOMSA-N 455.599 5.842 50 10 JKGE CC(C)[C@@H](CC(=O)N[C@H](Cc1ccccc1)C(=O)Nc1ccc(SC#N)cc1)c1ccc(F)cc1 1866753481 YOQSMXWVSYFNJC-CLJLJLNGSA-N 489.616 5.895 50 10 JKGE CCC[C@H](NC(=O)C[C@@H](c1ccc(F)cc1)c1cccc(F)c1)C(=O)Nc1ccc(SC#N)cc1 1866777832 BIVIVNDADVHAFI-DQEYMECFSA-N 493.579 5.984 50 10 JKGE Cc1ccc2nc3c(cc2c1)CCN3c1cc(Nc2ccc(SC#N)cc2)nc(-c2cccnc2)n1 1868565542 XNJPSOMVHJYXPG-UHFFFAOYSA-N 487.592 6.406 50 10 JKGE CCCCOc1ccc(/C(O)=C(\C#N)c2nc(-c3ccc4c(c3)OCO4)cs2)cc1OCC 1872752785 RXFYHQKHVSJZMX-MOHJPFBDSA-N 464.543 6.066 50 10 JKGE COc1cc(-c2csc(/C(C#N)=C(\O)c3ccc(Cl)c([N+](=O)[O-])c3)n2)c(OC)cc1Cl 1872756434 JYIOVNXSOGYMSD-UNOMPAQXSA-N 478.313 5.992 50 10 JKGE COc1c(C)cc(Cl)cc1-c1csc(/C(C#N)=C(\O)[C@@H](C)N2C(=O)c3ccccc3C2=O)n1 1872757233 VYAQPHGYIRUJNT-MYXCPXAOSA-N 479.945 5.258 50 10 JKGE CS(=O)(=O)Nc1ccc(/C(O)=C(\C#N)c2nc(-c3cc(Cl)ccc3Cl)cs2)cc1 1872758118 MGTPXYTYJPDSEJ-SDXDJHTJSA-N 466.371 5.438 50 10 JKGE CCCCCOc1ccc(/C=C(\C#N)c2nc(-c3ccc(Br)cc3)cs2)cc1 1872780855 NZHXQVXHJHOWNN-XMHGGMMESA-N 453.405 7.206 50 10 JKGE CCN(Cc1ccccc1)c1ccc(/C=C(\C#N)c2nc(-c3cccc(OC)c3)cs2)cc1 1872781954 YRXBXSJVMVXBFT-LFVJCYFKSA-N 451.595 6.909 50 10 JKGE CCCCOc1ccc(/C=C(\C#N)c2nc(-c3ccc(Oc4ccccc4)cc3)cs2)cc1OCC 1872793021 DFAFLTDWEFNZAW-HKOYGPOVSA-N 496.632 8.244 50 10 JKGE Cc1ccc(-c2csc(/C(C#N)=C/c3ccc(OCc4ccccc4Cl)cc3)n2)cc1C 1872793760 RJYLTGPQCLKGNW-OEAKJJBVSA-N 456.998 7.724 50 10 JKGE CCCOc1ccc(-c2csc(/C(C#N)=C(\O)Cc3ccc(NC(C)=O)cc3)n2)cc1OCCC 1872818388 ZYFRIHSYZAWYTR-GYHWCHFESA-N 491.613 6.381 50 10 JKGE COc1ccc(C)cc1-c1csc(/C(C#N)=C(\O)c2ccc3c(c2)C(=O)N(CC(C)C)C3=O)n1 1873921247 ZCCQAKQOQXJGCU-ATJXCDBQSA-N 473.554 5.329 50 10 JKGE FC(F)[C@@H]1C[C@H]1[C@@H](Br)c1c(Br)sc(Br)c1Cl 1894335845 BOEGHFAKORRVJB-PAKKCRSFSA-N 459.375 6.264 50 10 JKGE O=C(c1c(F)cccc1Br)N(Cc1ccccc1)[C@H](CBr)C1CC1 1915311347 DZWZYFAZQGCMRZ-QGZVFWFLSA-N 455.165 5.404 50 10 JKGE Cc1ccc([C@@H](Br)c2sc(Br)c(C)c2Br)cc1F 1922944865 AHVWUDNFMPWASX-LLVKDONJSA-N 457.000 6.513 50 10 JKGE COc1cccc(F)c1[C@H](Br)c1sc(Br)cc1Br 1922946625 TUPKVGXAVDSDNB-NSHDSACASA-N 458.972 5.905 50 10 JKGE Cc1ccc(Cl)cc1[C@@H](Br)c1sc(Br)c(C)c1Br 1922954923 UKXLUVBQFMCIQG-LLVKDONJSA-N 473.455 7.028 50 10 JKGE CC(F)(F)C(C)(C)[C@H](Br)c1c(Br)sc(Br)c1Cl 1923047140 AFHQJEYXTJVVLD-ZCFIWIBFSA-N 475.418 7.044 50 10 JKGE CC1(C)C[C@@H]([C@@H](Cl)c2c(Br)sc(Br)c2Cl)C(C)(C)O1 1923068607 UMBQDNQHXZGOCD-POYBYMJQSA-N 451.051 6.800 50 10 JKGE CC(C)c1ccc([C@H](Br)c2c(Br)sc(Br)c2Cl)cc1 1923068614 UMXIITZFVCPJPQ-NSHDSACASA-N 487.482 7.534 50 10 JKGE CCCCCCCCC[C@@H](Cl)c1c(Br)sc(Br)c1Br 1924600929 UOOCYIDXWZQAGY-SNVBAGLBSA-N 495.546 8.456 50 10 JKGE O=C(N[C@@H](CCCCCC[C@H]1CCSS1)C(=O)O)OCC1c2ccccc2-c2ccccc21 1951392519 GRUIXWSUZQOQBS-UUOWRZLLSA-N 485.671 6.473 50 10 JKGE F[C@@H]([C@@H](Br)c1c(Br)sc(Br)c1Cl)C(F)(F)F 1984583732 GLLXLCKIDKDSJE-OKKQSCSOSA-N 469.317 6.263 50 10 JKGE Cc1c(Br)ccc([C@H](Br)c2ccc(Cl)s2)c1Br 2024296246 ZJZYHPXYOPRKQD-LBPRGKRZSA-N 459.428 6.719 50 10 JKGE Fc1cc(Cl)c(Br)cc1[C@H](Br)c1cccc(Br)c1 2036571887 MNYPSZRSSZCOQN-CYBMUJFWSA-N 457.362 6.488 50 10 JKGE CC(C)COc1ccc(-c2nn(-c3ccccc3)cc2C=C(C#N)c2nc3ccccc3s2)cc1 2040469480 YOOHSTLLVFLMGJ-UHFFFAOYSA-N 476.605 7.248 50 10 JKGE COc1cc(Cl)c([C@H](Br)c2cc(I)sn2)cc1Cl 2056486905 GHILPKAPNHUMIK-NSHDSACASA-N 478.964 5.547 50 10 JKGE Fc1ccc(Br)c([C@@H](Cl)c2ccc(Br)cc2Br)c1 2083329176 ANNMMFMLRKHNGY-ZDUSSCGKSA-N 457.362 6.441 50 10 JKGE Fc1cc(Cl)c([C@@H](Cl)c2csc(Br)c2Br)cc1Cl 2083776737 YVKDCZKWRSJLQE-SNVBAGLBSA-N 453.385 7.047 50 10 JKGE Fc1ccc([C@H](Br)Cc2ccccc2I)c(F)c1Cl 2087569659 IXVXPJLGVRHCIR-SNVBAGLBSA-N 457.483 5.902 50 10 JKGE O=C(c1scc(Br)c1Br)N1CC[C@@H]2C[C@@H](Br)CC[C@H]21 2087668652 PRCBKNXDZBEIDA-KHQFGBGNSA-N 472.040 5.051 50 10 JKGE BrC[C@@]12CCC[C@@H]1CN(Cc1ccc(Br)cc1Br)C2 2103172733 PBGDDKVVKNQOSE-IUODEOHRSA-N 452.028 5.209 50 10 JKGE Fc1ccc(Br)cc1CC[C@@H](Br)c1ccccc1Br 2113441628 JMYCCJDBBCJGAG-CQSZACIVSA-N 450.971 6.420 50 10 JKGE Fc1c(C[C@H](Br)c2ccc(Br)cc2)ccc(Cl)c1Br 2113490243 ACNLJXJQPRSUPB-NSHDSACASA-N 471.389 6.683 50 10 JKGE CCC[C@@H](Cl)c1cn(-c2cc(Br)c(Br)c(Br)c2)nn1 2121069164 XOUCPDDVUYCTOF-SNVBAGLBSA-N 472.406 5.635 50 10 JKGE CO[C@@H]1CCC[C@H]([C@H](Br)c2cc(Br)c(C)cc2Br)C1 2126395172 OZYNGRCXLDWIFN-RWSFTLGLSA-N 455.028 6.161 50 10 JKGE C[C@H](Cl)c1nc2cc(I)c(F)cc2n1C1CC(Br)C1 2126745147 OZNUAZFVKHREGL-KKMMWDRVSA-N 457.512 5.178 50 10 JKGE BrCc1cc(Br)c(OCC2C[C@@H]3CC[C@H]3C2)c(Br)c1 2132515773 CKWYZCQVDDUVIL-RYUDHWBXSA-N 453.012 5.922 50 10 JKGE Cc1cc(Br)c(C)c([C@H](Br)[C@@H]2CC[C@H]3C[C@H]3C2)c1Br 2136365879 BXEKTWHFCQFLSI-MEQWQQMJSA-N 451.040 6.701 50 10 JKGE Cc1cc(Br)c(C)c([C@@H](Br)[C@H]2CCCOCC2)c1Br 2136370799 PWWSZZIERYSJPS-NHYWBVRUSA-N 455.028 6.081 50 10 JKGE Cc1ccc([C@@H](Cl)c2ccc(Br)c(C)c2Br)c(Br)c1 2138861613 HLJXOBXCSXSFLP-OAHLLOKOSA-N 467.426 6.919 50 10 JKGE Cn1nc([C@H](Br)c2cc(Cl)c(F)cc2Cl)c(Br)c1Cl 2139428725 KTUXTICALCTBAB-MRVPVSSYSA-N 451.348 5.766 50 10 JKGE COc1c(C)cc(Br)cc1[C@H](Cl)c1cc(Br)c(Br)s1 2141639852 OKZQIXRPAMRGIA-NSHDSACASA-N 489.454 6.681 50 10 JKGE Clc1cc(Br)cc([C@H](Br)c2cc(Br)c3c(c2)CCO3)c1 2146627179 IUYJFNOMEUKXTN-CQSZACIVSA-N 481.409 6.284 50 10 JKGE O=C(c1ccc(Br)cc1Br)N1[C@H]2CCC[C@H](Br)[C@H]1CC2 2154106746 SNCFDMDVACELNT-VHRBIJSZSA-N 466.011 5.132 50 10 JKGE CS(=O)(=O)c1sccc1[C@H](Br)c1cc(Br)c(Cl)cc1F 2154108974 NSIOQKDJODBTNH-NSHDSACASA-N 462.587 5.191 50 10 JKGE C[C@H]1C[C@H](n2c(CCl)nc3cc(Br)c(Cl)cc32)CCN1Cc1ccccc1 2159871947 OQVVTUVTOPVXOQ-GOEBONIOSA-N 467.238 6.417 50 10 JKGE CCCC(CBr)(CCC)CN1C[C@H](C(F)(F)F)[C@@H](NC(=O)OC(C)(C)C)C1 2163058759 NPNVALJTINEFMW-GJZGRUSLSA-N 459.391 5.355 50 10 JKGE FC1(F)CN(Cc2ccccc2)CCCCN(c2ncc(Br)cc2CCl)C1 2164877505 YQKXXFCFFHQMAY-UHFFFAOYSA-N 458.778 5.321 50 10 JKGE Fc1c(COc2ccc(CBr)cc2Br)ccc(Cl)c1Br 2166830847 ILTVUILAOQKLJT-UHFFFAOYSA-N 487.388 6.478 50 10 JKGE CN(C[C@@H](Br)C1CCCC1)C(=O)c1ccc(Br)cc1Br 2167646553 KZVHMTMANBWVOD-CQSZACIVSA-N 468.027 5.237 50 10 JKGE COc1ccc(C[C@H](Cl)c2c(Br)sc(Br)c2Cl)cc1F 2168413454 RQABETFNHWWCSG-ZETCQYMHSA-N 462.993 6.597 50 10 JKGE O=C(NCC[C@H]1CCCC[C@H]1Br)c1cc(Br)cc(Br)c1 2179634290 FGPBBKLTDNQYHY-QMTHXVAHSA-N 468.027 5.285 50 10 JKGE CC(C)n1cc(S(=O)(=O)N(Cc2ccccc2)C2CCCCC2)cc1CBr 2179859098 YKZWCRYBLOFAGJ-UHFFFAOYSA-N 453.446 5.488 50 10 JKGE BrCc1cc(Br)cc(Br)c1OCC1C[C@@H]2CCC[C@H]2C1 2183361554 YZHDXNSHMJFTSU-RYUDHWBXSA-N 467.039 6.312 50 10 JKGE CN(c1ccc(F)c(Cl)c1CBr)[C@@H]1C[C@@H]2C[C@H](OCc3ccccc3)C[C@H]21 2190552416 AQWTYHCLTZLOFH-ZGPJWRFFSA-N 452.795 6.194 50 10 JKGE CCCCCc1ccc([C@H](Br)c2ccc(Br)cc2Br)s1 2197256454 CVAACUDJTVYJPQ-MRXNPFEDSA-N 481.091 7.490 50 10 JKGE Cc1sc(Br)c([C@@H](Cl)c2c(Br)cc(F)c(Cl)c2F)c1C 2201621443 KYRGFROOCUPSSJ-LLVKDONJSA-N 464.984 7.150 50 10 JKGE COc1c(Cl)cc(Br)cc1[C@@H](Br)c1nn(C)c(Br)c1C 2202995328 ANYYTLPWWBKDKW-SNVBAGLBSA-N 487.417 5.400 50 10 JKGE Cc1c(Br)ccc([C@H](Br)[C@@H]2C[C@H]2c2ccccc2)c1Br 2203689896 ZVMOZIDWYOHKMI-VBQJREDUSA-N 459.019 6.760 50 10 JKGE Clc1cc(Cl)c(OC[C@H]2CC2(Br)Br)c(CBr)c1 2213081375 CQQSSOIXCHBDJN-SSDOTTSWSA-N 467.810 5.773 50 10 JKGE Clc1c(Br)sc(Br)c1[C@H](Br)[C@@H]1OC[C@H]2CCC[C@H]21 2218093435 WRLVLMBWSAOLFV-OTKUIEDOSA-N 479.459 6.178 50 10 JKGE Fc1ccc2nc(CCl)n(C[C@@H]3CC3(Br)Br)c2c1Br 2224802109 UFSFJESPHMTWJD-LURJTMIESA-N 475.381 5.183 50 10 JKGE Fc1ccccc1C[C@H](Br)c1cc(Br)c(Br)cc1F 2225616256 NKUAJQMYDABDQX-JTQLQIEISA-N 454.934 6.169 50 10 JKGE Fc1cc(Br)c(Br)cc1[C@@H](Br)c1cc2cscc2s1 2225618368 YQFBTNSWNKKUIU-CYBMUJFWSA-N 485.035 7.111 50 10 JKGE Cc1sc([C@@H](Br)c2scc(C(F)(F)F)c2Br)cc1Br 2226082029 KBTVUPZHZPTQHK-SECBINFHSA-N 499.009 7.146 50 10 JKGE Brc1cc([C@@H](Br)c2ccc([C@H]3CCOC3)s2)c(Br)s1 2231738160 KBWOCWMDWSNHLW-JVXZTZIISA-N 487.076 6.323 50 10 JKGE Brc1cc([C@@H](Br)c2ccc([C@H]3CCOC3)s2)sc1Br 2231754096 HIZHKNMDAMOANJ-MADCSZMMSA-N 487.076 6.323 50 10 JKGE Clc1ccc(C[C@@H](Br)c2c(Br)cc(Cl)c(Cl)c2Cl)cc1 2232511114 JBPZFCDMQUGQIS-SECBINFHSA-N 477.838 7.741 50 10 JKGE COC1(C[C@H](Br)c2c(Br)cc(Cl)c(Cl)c2Cl)CCCC1 2232514588 VTVYXHOTGGOKGS-VIFPVBQESA-N 465.440 7.195 50 10 JKGE FC1(F)CC2(C[C@H]2[C@@H](Br)c2c(Br)cc(Cl)c(Cl)c2Cl)C1 2232517581 UMRCVWLYRDSPQA-SSDLBLMSSA-N 469.378 7.281 50 10 JKGE Fc1cc(Br)cc2c1nc(CCCl)n2C[C@H]1CCCN1Cc1ccccc1 2232923716 PQSIIHFXYLCUOD-QGZVFWFLSA-N 450.783 5.384 50 10 JKGE FC1(F)[C@H]2CCC[C@@H]1C[C@@H]([C@H](Br)c1sc(Br)cc1Br)C2 2233639699 NVTRHOXRGUZPPE-UOKLYIGXSA-N 493.049 7.171 50 10 JKGE Cc1cc(Br)c([C@H](Br)[C@@]23CC[C@@](C)(C2)OC3)c(C)c1Br 2235608132 ISGXKULBQZZYHA-JYJNAYRXSA-N 467.039 6.224 50 10 JKGE C[C@](CBr)(O[C@H]1CCN(Cc2ccccc2)C1)c1ccccc1Br 2250363655 HCBRSOXAIXGMBB-FXAWDEMLSA-N 453.218 5.350 50 10 JKGE Fc1cc(Br)c(F)c(Br)c1[C@H](Cl)C1CC(Br)C1 2250747733 PRSKWMQSLJBEFO-HADCPYMZSA-N 453.346 5.943 50 10 JKGE C[C@@H](Br)CN(C(=O)c1cccc(Br)c1Br)C(C)(C)C 2272460637 SMIUJLABRQDXOU-SECBINFHSA-N 456.016 5.236 50 10 JKGE Fc1cc(Br)c(F)c(Br)c1[C@@H](Br)[C@H]1CCCOCC1 2272727182 DQRXDPDONVTUIU-CPCISQLKSA-N 462.954 5.743 50 10 JKGE Cc1ccc(CBr)cc1NC(=O)c1cc(Br)sc1Br 2278645450 IZHXBQRBPIGIAP-UHFFFAOYSA-N 468.008 5.729 50 10 JKGE CC1(C)COc2c([C@@H](Br)c3cocc3Br)cc(Br)cc21 2285994342 WXNLKIBJZQJJDJ-CYBMUJFWSA-N 464.979 5.959 50 10 JKGE COC[C@@H]1CC[C@H]([C@H](Br)c2c(F)cc(Br)c(F)c2Br)C1 2288483621 MQIXQHDCGRUELK-LWINAJNOSA-N 476.981 5.989 50 10 JKGE CCCCOc1ccc(C=C(C#N)C(=O)Nc2ncc(Cc3ccc(Cl)c(Cl)c3)s2)cc1 2293038600 NOUBHGGFGGZHHA-UHFFFAOYSA-N 486.424 6.765 50 10 JKGE CCOC(=O)C(C#N)=C1S[C@H](Cc2ccc(Cl)c(Cl)c2)C(=O)N1c1ccc(C)cc1 2293039221 QGQUJNCKRJHLAB-LJQANCHMSA-N 461.370 5.291 50 10 JKGE Cc1c(C=C(C#N)C(=O)Nc2cccc(Cl)c2)c2ccccc2n1Cc1ccc(Cl)cc1 2294146970 NFWXJMZJKOIGDX-UHFFFAOYSA-N 460.364 6.851 50 10 JKGE ClCc1ccc(Br)c(Cl)c1OCc1cc(Br)ccc1Cl 2295171719 NJSDITPRWQOUIH-UHFFFAOYSA-N 459.392 6.836 50 10 JKGE Fc1cc([C@@H](Cl)c2cc3sc(Br)cc3s2)c(F)cc1Br 2295399840 ZFYWNDYXLLHMIH-CYBMUJFWSA-N 458.574 7.094 50 10 JKGE CCCCCCCCOc1ccc(C=C(C#N)c2nc(-c3ccc(Cl)c(Cl)c3)cs2)cc1 2297315901 LXNYKQDZCTWKCM-UHFFFAOYSA-N 485.480 8.920 50 10 JKGE N#CC(N=Cc1ccc(Cl)cc1)=C(C#N)NCc1ccccc1Sc1ccc(Cl)cc1 2297564436 DLCAZSXVZKPAMG-UHFFFAOYSA-N 463.393 6.612 50 10 JKGE CC(C)(C)[C@H]1CC(=Cc2cccc(Cl)c2)C2=C(C1)[C@@H](c1cccc(Cl)c1)C(C#N)=C(N)O2 2297710745 NVXPHPHALPJSSC-YADARESESA-N 465.424 7.595 50 10 JKGE COc1ccc(CCN(Cc2ccccc2)[C@@H](C)CCBr)c(Br)c1 2301374128 TVIBPOKSGSTWLS-INIZCTEOSA-N 455.234 5.676 50 10 JKGE N#CC(=Cc1cc(Br)c(Sc2ccc(Cl)cc2)o1)c1cccc(Br)c1 2313565143 VBEPGTHHZCWZRG-UHFFFAOYSA-N 495.623 7.673 50 10 JKGE N#CCOc1ccc(C=C(C#N)C(=O)Nc2cccc(Cl)c2Cl)cc1I 2313570609 BCHYIOANPIZAMP-UHFFFAOYSA-N 498.107 5.046 50 10 JKGE CCOC(=O)c1ccc(-n2c(C)cc(C=C(C#N)C(=O)Nc3cccc(Cl)c3Cl)c2C)cc1 2313570708 DMBDLEOXVGKPSW-UHFFFAOYSA-N 482.367 6.123 50 10 JKGE Cc1ccc(NC(=O)C(C#N)=Cc2cc(Br)ccc2OCc2cccc([N+](=O)[O-])c2)cc1 2313571342 TUWXAZFMIJSSQJ-UHFFFAOYSA-N 492.329 5.790 50 10 JKGE Brc1ccc(OCc2ccccc2)c([C@H](Br)C2(CC3CC3)CCC2)c1 2314447138 XDOJAEJOMPXPEW-NRFANRHFSA-N 464.241 7.435 50 10 JKGE Brc1cc(OCc2ccccc2)ccc1[C@H](Br)[C@@]12CCC[C@@H]1OCC2 2314504021 YLOAUSACOGPEQE-PCCBWWKXSA-N 466.213 6.423 50 10 JKGE CCc1ccc(C[C@@H]2SC(=C(C#N)C(=O)Nc3ccccc3)N(c3ccc(C(C)C)cc3)C2=O)cc1 2314593916 VXPLWHZFXOAUGK-MHZLTWQESA-N 495.648 6.437 50 10 JKGE CC(C)c1ccc(C=C(C#N)C(=O)Oc2ccc3cc(C(=O)NCc4ccccc4)c(=O)oc3c2)cc1 2314748164 GRXNAXKTTWXUIK-UHFFFAOYSA-N 492.531 5.359 50 10 JKGE ClCc1cc(Oc2cc(Br)cc(I)c2)ncc1Cl 2316721219 SJVARXDFILBOBI-UHFFFAOYSA-N 458.908 5.633 50 10 JKGE C[C@H](c1ccncc1F)[C@H](Br)c1csc(Br)c1Br 2321457255 AJILSKFDUOXODB-LDWIPMOCSA-N 457.988 6.047 50 10 JKGE CC(C)(C)c1ccc(NC=C(C#N)C(=O)N2CCN(C(c3ccccc3)c3ccccc3)CC2)cc1 2324607183 NWGJCWJGZZDGKO-UHFFFAOYSA-N 478.640 5.737 50 10 JKGE Cc1c(OCc2ccc(CCl)cc2)ccc2c1OC(=Cc1c(Cl)cccc1Cl)C2=O 2325339787 LZHHDXWLLFTCKV-UHFFFAOYSA-N 459.756 7.236 50 10 JKGE CCOc1cc(C=C(C#N)c2nc3ccccc3n2C)ccc1OCc1ccc(Br)cc1 2331019731 QZXZENJLZDUIGK-UHFFFAOYSA-N 488.385 6.378 50 10 JKGE Cc1cc(OCCCC(O)=C(C#N)c2nc(-c3ccc4c(c3)CCCC4)cs2)cc(C)c1Cl 2331239809 CBIPSIMVXKSPAH-UHFFFAOYSA-N 479.045 7.611 50 10 JKGE N#CC(=C(O)C=Cc1ccc(Cl)cc1Cl)c1nc(-c2cccc(Br)c2)cs1 2331279422 XDCOWTHYXHKVQH-UHFFFAOYSA-N 478.198 7.385 50 10 JKGE COc1ccc(C(C)(C)C)cc1-c1csc(C(C#N)=C(O)C=Cc2ccc([N+](=O)[O-])cc2)n1 2331351031 KUHJSLMNUFQRER-UHFFFAOYSA-N 461.543 6.530 50 10 JKGE Cc1cc(C)c(C)c(-c2csc(C(C#N)=C(O)[C@@H]3CC(=O)N([C@@H](C)c4ccccc4)C3)n2)c1C 2331364551 KNIWOTOJHQHMSN-RBBKRZOGSA-N 471.626 6.446 50 10 JKGE COc1ccc(OCCCC(O)=C(C#N)c2nc(-c3cc(OC)c(Cl)cc3OC)cs2)cc1 2331376878 FVFPLGPIGJOSDJ-UHFFFAOYSA-N 486.977 6.141 50 10 JKGE COc1c(C)cc(Cl)cc1-c1csc(C(C#N)=C(O)[C@H]2CC(=O)N(Cc3ccccc3)C2)n1 2331391753 APNGDARQMYJFDK-KRWDZBQOSA-N 479.989 5.622 50 10 JKGE COc1cc(C)c(-c2csc(C(C#N)=C(O)c3cc([N+](=O)[O-])c(C)c([N+](=O)[O-])c3)n2)cc1C 2331403869 NWCMLHXVDITIPL-UHFFFAOYSA-N 466.475 5.510 50 10 JKGE COc1cccc([C@@H](Br)c2cc(Br)ccc2OCc2ccccc2)c1F 2336049446 CRWKKJCCGLBCDU-HXUWFJFHSA-N 480.171 6.660 50 10 JKGE Cc1cc(Br)c(C)c([C@@H](Br)[C@H]2COCC2(C)C)c1Br 2336199413 CCEJIXYVGGHEEZ-YGRLFVJLSA-N 455.028 5.937 50 10 JKGE Cc1cccc(OCc2ccc(Cl)cc2I)c1CBr 2340112523 MGLJCKPUMDCBON-UHFFFAOYSA-N 451.529 5.727 50 10 JKGE Cc1c(Br)ccc([C@@H](Br)[C@@H]2C[C@H]3CCC[C@H]2CC3)c1Br 2364129768 KDZLBUZXCCSQGV-NOSGZIGASA-N 465.067 7.172 50 10 JKGE COc1cc(Cl)c(CBr)c(N2CCN(Cc3ccccc3)[C@H](C(C)C)C2)c1 2365813097 WJGMYTPJXJDRRR-QFIPXVFZSA-N 451.836 5.590 50 10 JKGE BrCc1c(OCc2c(Br)cccc2Br)nc2sccn12 2366216407 OBIUMJVXBOBRAQ-UHFFFAOYSA-N 481.007 5.395 50 10 JKGE O=C(Nc1ccc(CBr)c(F)c1)c1cc(Br)cc(Br)c1 2367689889 SDZCCSWPFMHKHV-UHFFFAOYSA-N 465.942 5.498 50 10 JKGE COC1(C(F)F)CC([C@@H](Br)c2cc(Br)c(Br)cc2F)C1 2368973054 PTIBXQUWNPPTDX-BUVHBNEDSA-N 480.944 5.847 50 10 JKGE ClCC(CCl)(Cc1sc(Cl)cc1Br)c1cccc(Br)c1 2372286345 ADWLHXSCLQLVDA-UHFFFAOYSA-N 477.476 6.885 50 10 JKGE CC(C)C[C@H](CBr)CN1CCN(C(=O)OC(C)(C)C)[C@H](C)C[C@@H]1C(F)(F)F 2382180260 BVKVDAUZWYMYSS-BZUAXINKSA-N 459.391 5.306 50 10 JKGE CCCCCCOc1ccc(C(=O)NNC(=S)NC(=O)C(c2ccccc2)c2ccccc2)cc1 14025588 GTRZYAIGSCTHPV-UHFFFAOYSA-N 489.641 5.113 50 10 JKGE CCCCCOc1ccc(C(=O)NNC(=O)CCCOc2ccc(Cl)cc2Cl)cc1 14029484 MYFBNPUCIKCPIB-UHFFFAOYSA-N 453.366 5.183 50 10 JKGE N#C/C(=C\c1ccc(-c2c(Cl)cccc2Cl)o1)c1nc(-c2cccc3ccccc23)cs1 28357141 OEYDCBGNXPCEQL-GHRIWEEISA-N 473.384 8.594 50 10 JKGE COc1cc(/C=C(/C#N)S(=O)(=O)c2ccccc2)ccc1OCc1ccc(Br)cc1 33283700 OKRIFDMPOPMCSE-BKUYFWCQSA-N 484.371 5.375 50 10 JKGE CC[C@@H](C)c1ccc(OCCOc2ccc(Cl)cc2/C=C(/C#N)C(=O)Nc2ccc(C)cc2)cc1 34705725 DRASBRCUUJDBGY-ZALQFNEYSA-N 489.015 7.165 50 10 JKGE Cc1ccc(-c2ccc(/C=C(/C#N)c3nc(-c4ccc5ccccc5c4)cs3)o2)c([N+](=O)[O-])c1 35568738 UTUWMPCPHIBKNG-STZFKDTASA-N 463.518 7.504 50 10 JKGE CCCOc1ccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)Cc4cccc5ccccc45)ccc32)cc1 38650681 SWRGGYKFWSVHGU-SSEXGKCCSA-N 490.559 5.995 50 10 JKGE COc1cccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4cccc5ccccc45)ccc32)c1OC 38658910 JOAVGCJMKHMWML-SANMLTNESA-N 478.504 5.294 50 10 JKGE CCCCCOc1cccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4ccccc4C)ccc32)c1 38684759 SIWYQWQICLJFEJ-MHZLTWQESA-N 468.553 6.001 50 10 JKGE C=CCOc1ccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4oc5cc(C)ccc5c4C)ccc32)cc1 38688577 GDDVUSZZQIZSGF-HHHXNRCGSA-N 492.531 6.052 50 10 JKGE CCCCOc1ccc(/C=N/NC(=O)COc2ccc(CCC)cc2Br)cc1OC 40960090 JJGXVSYXAVTYNJ-MFKUBSTISA-N 477.399 5.118 50 10 JKGE O=C(N/N=C1\C(=O)N(Cc2c(Cl)cccc2Cl)c2ccccc21)c1nc2ccccc2s1 59153051 RYQVKFCYNASYMD-OOAXWGSJSA-N 481.364 5.284 50 10 JKGE COc1ccc(C[C@H]2S/C(=C(C#N)\C(O)=N\c3ccc(C)cc3)N(c3ccc(C)cc3)C2=O)cc1 97497882 XMHQDTLUGVZDET-IEQIIXMPSA-N 483.593 6.027 50 10 JKGE CCCCOc1ccc(/C=C(/C#N)C(=O)Nc2sc3c(c2C(=O)OCC)CCCC3)cc1OCC 102848504 VVUYIPYAQGOMTP-CYVLTUHYSA-N 496.629 5.927 50 10 JKGE Brc1ccc(C[C@H](Br)c2cc(Br)ccc2Br)cc1 109844917 FEMMWTLJTPLART-AWEZNQCLSA-N 497.850 6.653 50 10 JKGE Fc1ccc(Br)c(CC(CBr)(CBr)c2ccccc2)c1 118876443 JCSOGFXXJLAVLY-UHFFFAOYSA-N 464.998 5.859 50 10 JKGE CC1(C)Cc2cc([C@@H](Br)c3cc(Br)c(Br)s3)ccc2O1 128561397 QDSLMDCEJNQGGQ-CYBMUJFWSA-N 481.047 6.471 50 10 JKGE Cc1cc(Br)c([C@H](Br)Cc2ccc(F)c(F)c2)cc1Br 128757154 YUKXKEHNKIZAFG-CYBMUJFWSA-N 468.961 6.477 50 10 JKGE CC(C)COc1c(Cl)cc(/C=N\NC(=O)CSc2nc3ccccc3[nH]2)cc1Cl 169886303 QUXCXRFBDLMCBO-AQHIEDMUSA-N 451.379 5.147 50 10 JKGE COC(=O)c1c(-c2ccccc2)csc1NC(=O)/C(C#N)=C\c1ccc(OCc2ccccc2)cc1 206250561 KAPVWZCITZEUMY-KQWNVCNZSA-N 494.572 6.326 50 10 JKGE COc1ccc([C@H](Br)c2cc(Br)cc3c2OCC3)cc1Br 228445042 JCILDFOCRUYTHS-HNNXBMFYSA-N 476.990 5.639 50 10 JKGE COCCOc1ccc([C@@H](Br)c2ccccc2Br)cc1Br 229016653 JFXMXTQTCBWBTO-MRXNPFEDSA-N 479.006 5.721 50 10 JKGE CCc1ccc(C(C)=NNC(=O)c2cc(-c3ccc(OC)cc3OC)nc3ccccc23)s1 252623640 OVVUQTZSEPBCAI-UHFFFAOYSA-N 459.571 5.697 50 10 JKGE CC(=NNC(=O)CSc1nnc(-c2ccc(C(C)(C)C)cc2)n1-c1ccccc1)c1ccccc1 254761900 LIDTYGQEMYHDIH-UHFFFAOYSA-N 483.641 5.864 50 10 JKGE CC(=NNC(=O)CSc1nnc(-c2ccc(C)cc2)n1-c1ccccc1)c1ccc(F)cc1 254814760 LUTQFDWCLGEOSA-UHFFFAOYSA-N 459.550 5.014 50 10 JKGE C[C@@H]1CC[C@@H](OC2(CI)CCN(C(=O)OC(C)(C)C)CC2)C[C@H]1C 303741152 HKTRCNMMYLNXBX-BZUAXINKSA-N 451.389 5.032 50 10 JKGE O=C(OCc1ccccc1)N1C[C@@H](CI)[C@@H](c2ccc(Cl)cc2F)C1 382681705 AWKBLNCLHVEKFH-PBHICJAKSA-N 473.713 5.266 50 10 JKGE C[C@H]1C[C@@H](n2c(CCCl)nc3cc(Br)c(F)cc32)CN1Cc1ccccc1 398227844 VPICAKYZOWAWAX-GOEBONIOSA-N 450.783 5.555 50 10 JKGE CN(C(=O)c1scc(Br)c1Br)[C@@H](CBr)C(C)(C)C 689249179 YLYSVRKADPFYFB-QMMMGPOBSA-N 462.045 5.155 50 10 JKGE Brc1csc([C@@H](Br)Cc2nc3ccccc3o2)c1Br 705463632 LMRHBWXNIBIJGL-ZETCQYMHSA-N 465.992 6.093 50 10 JKGE Clc1ccc(C(CBr)(CBr)Cc2ncc(Br)s2)cc1 713639452 PBTJDKFKVQNBRR-UHFFFAOYSA-N 488.470 5.829 50 10 JKGE BrCc1c(Br)cccc1N1C[C@H]2C[C@@H](CN(Cc3ccccc3)C2)C1 719372862 IZWFRHYDNYDRBB-ROUUACIJSA-N 464.245 5.302 50 10 JKGE O=C(NN=Cc1cc2c(cc1Br)OCO2)c1ccc(CSc2ccccc2)cc1 1084154732 WYEDDZKZHJXSEN-UHFFFAOYSA-N 469.360 5.234 50 10 JKGE CCOc1cc(C=NNC(=O)CNc2ccc3c(c2)OCO3)ccc1OCc1cccc2ccccc12 1084166969 LZGFBMMMICPTNT-UHFFFAOYSA-N 497.551 5.108 50 10 JKGE Cc1ccc(-n2c(C)cc(C=NNC(=O)c3ccc(CSc4ccccc4)cc3)c2C)cc1 1084596094 WNCJJWDYMNHDPH-UHFFFAOYSA-N 453.611 6.459 50 10 JKGE Cc1c(C(=O)Nc2ccccc2Cl)oc2c1C(=NNC(=O)c1ccc(Cl)cc1Cl)CCC2 1772747541 IZMJAUWYSONVAE-UHFFFAOYSA-N 490.774 6.271 50 10 JKGE Cc1cccc(NC(=O)c2oc3c(c2C)C(=NNC(=O)Cc2coc4cc(C)cc(C)c24)CCC3)c1 1772751928 ISOYGHGNAJOCJC-UHFFFAOYSA-N 483.568 5.911 50 10 JKGE CC(C)(C)c1cc(Br)ccc1OCC(=O)NN=Cc1cccc(Br)c1 1772753881 BSMGMAFKAIWOAP-UHFFFAOYSA-N 468.189 5.038 50 10 JKGE N#CC1=C(N)Oc2c(c(C(F)(F)F)nn2-c2cccc3ccccc23)[C@@H]1c1cccc2ccccc12 1865682642 UIWDLEOLEAJOOW-HSZRJFAPSA-N 482.465 6.416 50 10 JKGE CN(C)c1ccc([C@@H]2C(C#N)=C(N)Oc3c2c(-c2ccccc2)nn3Cc2cccc(Cl)c2)cc1 1865683781 PJLRWMADEUHZCF-XMMPIXPASA-N 481.987 5.536 50 10 JKGE CCCc1nn(-c2cccc(Cl)c2)c2c1[C@@H](c1ccc(OCC)c(OCC)c1)C(C#N)=C(N)O2 1865689357 QHADAGFBBBXBLQ-QHCPKHFHSA-N 478.980 5.494 50 10 JKGE CCCOc1cccc([C@@H]2C(C#N)=C(N)Oc3c2c(C(F)(F)F)nn3-c2cccc(Cl)c2)c1 1865693267 IQLIYAVPSNBOIJ-GOSISDBHSA-N 474.870 5.551 50 10 JKGE CCCc1nn(Cc2ccc(Cl)cc2)c2c1[C@H](c1ccc(OCC)c(OC)c1)C(C#N)=C(N)O2 1865694992 HJRDFEJSOXDONO-HSZRJFAPSA-N 478.980 5.163 50 10 JKGE COc1ccc(-c2nn(-c3cccc4ccccc34)c3c2[C@H](c2cccn2C)C(C#N)=C(N)O3)cc1 1865699593 XVCALRQDJLFMRW-VWLOTQADSA-N 473.536 5.258 50 10 JKGE N#CC1=C(N)Oc2c(c(-c3ccccc3)nn2Cc2cccc(Cl)c2)[C@H]1c1ccccc1O 1865707619 BFAAUJLJTHVUHW-QFIPXVFZSA-N 454.917 5.176 50 10 JKGE COc1cc(OC)c([C@@H]2C(C#N)=C(N)Oc3c2c(-c2ccccc2)nn3-c2ccc(C)cc2)cc1OC 1865711498 ZYOKPBXURPTTPZ-RUZDIDTESA-N 494.551 5.092 50 10 JKGE CCN(CC)c1ccc(/C=N\NC(=O)c2ccc(-c3ccc(Cl)cc3Cl)nc2C)cc1 1865760780 OKTYXMNYWCXZJL-DICXZTSXSA-N 455.389 5.974 50 10 JKGE CC[C@H](NC(=O)c1ccc2oc(-c3ccc(C)cc3)nc2c1)C(=O)Nc1ccc(SC#N)cc1 1866880042 BWDXZENLYHVICP-NRFANRHFSA-N 470.554 5.524 50 10 JKGE CCCC[C@H](NC(=O)CCc1csc(-c2ccncc2)n1)C(=O)Nc1ccc(SC#N)cc1 1867064670 ZMWUEYZOPPVZHL-NRFANRHFSA-N 479.631 5.025 50 10 JKGE Cc1ccccc1-c1nc(Nc2ccc(SC#N)cc2)cc(N2CCN(C(C)C)c3ccccc32)n1 1868301132 LMBDTQNYPUQJRP-UHFFFAOYSA-N 492.652 7.135 50 10 JKGE COc1ccc(/C=C2\Oc3c(ccc(OCc4ccc(CCl)cc4)c3C)C2=O)c(OC)c1OC 1871436628 IFWDOOZSKQEEDJ-QRVIBDJDSA-N 480.944 5.955 50 10 JKGE COc1cc(Cl)c(C)cc1-c1csc(/C(C#N)=C(\O)C(c2ccccc2)c2ccccc2)n1 1872755233 DRXHJOVUBAVJMO-QLYXXIJNSA-N 472.997 7.405 50 10 JKGE COc1ccc(-c2csc(/C(C#N)=C(\O)CN3C(=O)c4ccccc4C3=O)n2)c2ccccc12 1872758820 RRAUJUPCQANSRG-XDOYNYLZSA-N 467.506 5.061 50 10 JKGE CCOc1cc(/C=C(\C#N)c2nc(-c3ccc(OC)c(C)c3C)cs2)ccc1OCc1ccccc1 1872792958 AASPBYLMEQEBST-BUVRLJJBSA-N 496.632 7.477 50 10 JKGE CCCOc1ccc(-c2csc(/C(C#N)=C(\O)c3ccnc(Cl)c3)n2)cc1OCCC 1872818333 XOVHBAWDNCMATG-XLNRJJMWSA-N 455.967 6.386 50 10 JKGE CC(F)(F)[C@@H]1C[C@H]1[C@@H](Br)c1c(Br)sc(Br)c1Cl 1906223125 IRTZQNKGZKSIRQ-ZMIZWQJLSA-N 473.402 6.654 50 10 JKGE Cc1cccc(C(=O)N(Cc2ccccc2)[C@H](CBr)C2CC2)c1Br 1915276990 WZPTUBVOEOGKLP-GOSISDBHSA-N 451.202 5.573 50 10 JKGE Cc1ccc(C(=O)N(Cc2ccccc2)[C@@H](CBr)C(C)C)cc1Br 1915298415 SQUUAAUGTQRJFM-IBGZPJMESA-N 453.218 5.819 50 10 JKGE Clc1c(Br)sc(Br)c1[C@H](Br)[C@@H]1CCCC12CC2 1923061690 MHYOHXRVIKEKDD-POYBYMJQSA-N 463.460 6.943 50 10 JKGE C[C@H](CC(C)(C)C)[C@@H](Br)c1c(Br)sc(Br)c1Cl 1923063504 ZQDDHYWRWVKOBE-HTRCEHHLSA-N 467.492 7.435 50 10 JKGE COC[C@@]1([C@H](Cl)c2c(Br)sc(Br)c2Br)CCCO1 1924615884 HSRBDGPJANIFEJ-LDYMZIIASA-N 483.447 5.511 50 10 JKGE Cl[C@H](c1c(Br)sc(Br)c1Br)[C@H]1CCCOCC1 1924615892 IALHIQXQZPVSOO-RCOVLWMOSA-N 467.448 6.132 50 10 JKGE Fc1ccc(Br)c([C@@H](Cl)c2c(Cl)sc(Br)c2Cl)c1 1925587478 JWXMOIBHTNXDGO-MRVPVSSYSA-N 453.385 7.047 50 10 JKGE Fc1cc(Br)ccc1C[C@H](Cl)c1c(Cl)sc(Br)c1Cl 1925616744 FNNZXRLFEAIAQW-ZETCQYMHSA-N 467.412 7.242 50 10 JKGE Cc1cc(Br)sc1[C@@H](Br)Cc1ccccc1I 1950213806 AADZIBVIGTXYIY-JTQLQIEISA-N 486.010 6.102 50 10 JKGE C[C@]1(CI)CC[C@]2(CN(Cc3ccccc3)C3(CCCCCC3)C2)O1 2038914469 SVYOFVICBOLVPF-IRLDBZIGSA-N 453.408 5.728 50 10 JKGE CC1(C)C[C@H](Br)CCN1C(=O)c1cc(Br)sc1Br 2050648833 HVWDUYNYSILJDK-SSDOTTSWSA-N 460.029 5.051 50 10 JKGE CC1(C)C[C@@H](Br)CCN1C(=O)c1cc(Br)c(Br)s1 2050650310 UAEAHWXUKBYSEJ-ZETCQYMHSA-N 460.029 5.051 50 10 JKGE O=S(=O)(c1cc(Cl)cc(CBr)c1Cl)N(Cc1ccccc1)C1CCC1 2059314906 RQXAAPUQAYSONF-UHFFFAOYSA-N 463.224 5.632 50 10 JKGE CC(C)(C)C1([C@@H](Cl)c2c(Br)sc(Br)c2Br)CCC1 2071923342 CNBUSSOYNJXZSF-VIFPVBQESA-N 479.503 7.532 50 10 JKGE COc1cc(C(=O)N(Cc2ccccc2)[C@@H](CBr)C2CC2)ccc1Br 2072060571 FNOGGLQHGUXWIC-SFHVURJKSA-N 467.201 5.274 50 10 JKGE FC(F)(F)c1ccc(-n2nc(CBr)c(I)c2C(F)(F)F)cc1 2079257584 QQJDPCGNAFSENX-UHFFFAOYSA-N 498.990 5.409 50 10 JKGE Cc1cc(Br)c(C)c([C@H](Cl)c2ccc(Br)o2)c1Br 2081059460 IQLZOEMRVDMUDJ-CYBMUJFWSA-N 457.387 6.512 50 10 JKGE F[C@H]1CC[C@@H](CC(CBr)(CBr)c2ccc(Br)cc2)C1 2093926530 GCQFFOANYZFSLC-RISCZKNCSA-N 457.019 6.005 50 10 JKGE Cn1nc([C@@H](Br)c2cc(Cl)c(Cl)c(Cl)c2Cl)cc1Br 2094081107 YXGJKCPJBNECFN-QMMMGPOBSA-N 467.803 6.281 50 10 JKGE BrCc1ccc(Br)cc1N1CCC[C@]2(CCN(Cc3ccccc3)C2)C1 2107014850 LFJRDVOCUIBVFW-JOCHJYFZSA-N 478.272 5.837 50 10 JKGE Cc1cc([C@@H](Br)c2nn(C)c(Br)c2C)c(C)cc1Br 2111925964 FDYXFGRNXJWFSP-GFCCVEGCSA-N 451.000 5.355 50 10 JKGE CC(C)[C@@H](C)N(Cc1ccccc1)S(=O)(=O)c1ccc(Cl)c(CBr)c1Cl 2123252824 UYTSWCDOAQQCFG-CQSZACIVSA-N 479.267 6.124 50 10 JKGE FC1(F)CC2(C1)C[C@@]2(CBr)Cc1c(Br)cccc1Br 2132873045 SHMVSFIPXDEIFL-GFCCVEGCSA-N 458.966 5.955 50 10 JKGE FC(F)(F)c1ccc([C@@H](Br)c2ccc(Br)cc2Br)o1 2138861033 CVCULHYIEIVFCY-NSHDSACASA-N 462.885 6.308 50 10 JKGE Cc1c(Br)ccc([C@H](Br)[C@@H]2[C@H]3CCCCC[C@H]32)c1Br 2138870513 JJVNNWNZCWMVLG-CIGZNWKYSA-N 451.040 6.782 50 10 JKGE Fc1cc(Br)ccc1C[C@@H](Cl)c1ccc(Br)cc1Br 2138873360 OZDHFWJAHVFZSL-CYBMUJFWSA-N 471.389 6.636 50 10 JKGE CC1(C)CCN(Cc2ccc(I)c(Cl)c2)C[C@@H]1CBr 2142942504 DPLYUKUXQYUUNB-LBPRGKRZSA-N 456.593 5.188 50 10 JKGE C[C@H](Cl)c1nc2cc(Br)c(Cl)cc2n1[C@@]1(C)CCN(Cc2ccccc2)C1 2160059353 XRMXUGUISAWAGI-QKKBWIMNSA-N 467.238 6.373 50 10 JKGE Cn1nc(CC(CBr)(CBr)c2cccc(Cl)c2)cc1Br 2168211057 KCJKJRRSFPBOBK-UHFFFAOYSA-N 485.445 5.106 50 10 JKGE Cc1cc(Br)c([C@@H](Br)c2cc(F)c(F)cc2Cl)cc1Br 2168659014 GTYKVEFVNMIOLW-CQSZACIVSA-N 489.379 6.936 50 10 JKGE COc1cc(Cl)c([C@H](Br)c2cc(I)ccc2F)cc1Cl 2169667624 HTYFAASBTPBEQP-AWEZNQCLSA-N 489.937 6.230 50 10 JKGE FC(F)(F)C1([C@H](Br)c2cc(Br)ccc2Br)CCOCC1 2173214752 NLFDVBPFCJOOAI-LLVKDONJSA-N 480.944 6.007 50 10 JKGE CC(C)c1ccc([C@H](Br)c2cc(I)sn2)c(C(C)C)c1 2176540310 URQKUTCCITZDPE-INIZCTEOSA-N 464.210 6.479 50 10 JKGE CN([C@H]1CC[C@H]1OCc1ccccc1)S(=O)(=O)c1cc(Cl)cc(CBr)c1Cl 2179858469 OXCPBBPIMBFWSO-DLBZAZTESA-N 493.250 5.257 50 10 JKGE COCCCCN(Cc1ccccc1)S(=O)(=O)c1cc(Cl)cc(CBr)c1Cl 2179862967 FJBJBADZZIRIFK-UHFFFAOYSA-N 495.266 5.506 50 10 JKGE COc1c(Cl)cc(Br)cc1[C@@H](Cl)c1cc(Cl)ccc1Br 2202997502 KHGGDGHPTVFERT-ZDUSSCGKSA-N 459.392 6.855 50 10 JKGE Cl[C@H](c1ccc(-c2cccs2)s1)c1ccc(Br)cc1I 2207259734 CCFVDYLXNUYIPH-HNNXBMFYSA-N 495.632 7.172 50 10 JKGE ClC[C@@H](Cc1ccc(I)c(Cl)c1)Cc1ccccc1Br 2208044478 MLDKMUNUXMQRRH-LBPRGKRZSA-N 484.002 6.347 50 10 JKGE Cc1c(Br)csc1[C@H](Cl)c1sc(Br)cc1Br 2210635101 DVPSTFSLJTUPQI-QMMMGPOBSA-N 465.457 6.734 50 10 JKGE Fc1cc(Br)c(Br)cc1[C@H](Br)c1ccc(Cl)s1 2213492672 RAIOQPKGTZFJRR-NSHDSACASA-N 463.391 6.550 50 10 JKGE CCc1sc(Br)cc1[C@@H](Cl)c1ccc(C)c(I)c1 2217866180 KNUPXHVGLZLNQJ-AWEZNQCLSA-N 455.586 6.314 50 10 JKGE Cc1cc(Br)c([C@H](Cl)c2coc(Br)c2)c(C)c1Br 2220145886 JXTHZJVIVWRUBA-CYBMUJFWSA-N 457.387 6.512 50 10 JKGE COc1cc(Br)c([C@H](Br)c2csnc2Br)cc1C 2220452893 XNURIRTYLSPVGP-NSHDSACASA-N 455.997 5.469 50 10 JKGE COc1ccc(Br)cc1[C@@H](Br)c1sc(C)c(C)c1Br 2229320263 RERTZTURSXXZIA-CYBMUJFWSA-N 469.036 6.383 50 10 JKGE CC1([C@@H](Br)c2sc(Br)cc2Br)CC2(CC(F)(F)C2)C1 2230657087 XVWCEEJNYSRSDM-JTQLQIEISA-N 479.022 6.925 50 10 JKGE O=S1(=O)CCC([C@@H](Br)c2c(Br)cc(Cl)c(Cl)c2Cl)CC1 2232520893 QXBHXZUPPLMVOO-SNVBAGLBSA-N 485.452 5.670 50 10 JKGE CCOCc1cc(Br)c([C@@H](Br)c2cc(C)cc(Br)c2)s1 2233020570 LCBMEQPLTFFQEV-AWEZNQCLSA-N 483.063 6.602 50 10 JKGE CC[C@H](C)NCc1cc(Br)cc(Br)c1OC[C@H]1C[C@@H]1Br 2240244680 OFTUCPRYPLZXNB-NDMJEZRESA-N 470.043 5.262 50 10 JKGE Fc1cc(Br)c(F)c(Br)c1[C@@H](Cl)[C@H]1C[C@@H](Br)C1 2250747735 PRSKWMQSLJBEFO-LYAQYDMKSA-N 453.346 5.943 50 10 JKGE COc1cc(NC(=O)OCC2c3ccccc3-c3ccccc32)c(C(=O)O)cc1OC[C@@H]1C[C@H]1Cl 2256396401 XFUAKSCCWAXJDU-OYHNWAKOSA-N 493.943 5.761 50 10 JKGE COc1c([C@@H](Cl)c2c(Br)sc(Br)c2Cl)csc1C 2259132698 QSOAPSZBZUVSKR-SSDOTTSWSA-N 451.032 6.633 50 10 JKGE Fc1ccc([C@@H](Br)c2c(F)cccc2I)c(F)c1Cl 2267663806 SDWUZQYZFXZQLJ-LLVKDONJSA-N 461.446 5.846 50 10 JKGE CCc1cc([C@@H](Br)c2cc(C)cc(Br)c2F)sc1Br 2267892948 KAPYCXDNTASHDA-LBPRGKRZSA-N 471.027 6.767 50 10 JKGE C[C@@H]1COCC[C@H]1[C@@H](Br)c1c(F)cc(Br)c(F)c1Br 2272741409 UYDBYCDQENZFNP-OPVBNTEQSA-N 462.954 5.598 50 10 JKGE Fc1cc(Br)c(F)c(Br)c1[C@@H](Br)[C@@H]1[C@H]2CCCC[C@H]21 2272849858 NMLLHZZRARQZOB-MYVOQBSASA-N 458.966 6.362 50 10 JKGE Cc1cc([C@@H](Br)Cc2cc(Br)cc(Br)c2)ccc1F 2277898613 XOJKDNATLFTAFJ-AWEZNQCLSA-N 450.971 6.338 50 10 JKGE CC1(C)C[C@@H](C[C@@H](Br)c2c(F)cc(Br)c(F)c2Br)CO1 2288358948 ZPDBUMWWNOPFBT-HTQZYQBOSA-N 476.981 6.131 50 10 JKGE Fc1cccc(F)c1[C@H](Br)c1c(F)cc(Br)c(F)c1Br 2288372961 DBZDIBXIIFSRRO-NSHDSACASA-N 476.887 6.252 50 10 JKGE CC(C)(C)C1CC(CBr)(NC(=O)c2cc(Br)c(Br)s2)C1 2289835576 BFDMTNDJLAOORL-UHFFFAOYSA-N 488.083 5.593 50 10 JKGE CCOc1cc(C=C(C#N)C(=O)NCc2ccco2)ccc1OCCOc1ccc([C@@H](C)CC)cc1 2293273344 NGICOQBISPYQOT-NRFANRHFSA-N 488.584 5.873 50 10 JKGE Cc1cc(C(F)(F)F)sc1[C@H](Cl)c1sc(Br)c(C)c1Br 2295056783 KKOGWSCNTMJURF-QMMMGPOBSA-N 468.585 7.298 50 10 JKGE Brc1cc(Br)cc(C[C@@H](Br)[C@H]2C[C@@H]2c2ccccc2)c1 2295331550 KTVRODLUSBGAHY-IXDOHACOSA-N 459.019 6.321 50 10 JKGE CCCCCCOC(=O)c1ccccc1NC=C(C#N)c1nc(-c2ccc(Cl)cc2)cs1 2295948539 GTKLIYUNXLOLCV-UHFFFAOYSA-N 466.006 7.177 50 10 JKGE Cc1cccc(C)c1NC=C(C#N)c1nc(-c2cc3cc(Br)ccc3oc2=O)cs1 2296033194 IMANQUMENADWAW-UHFFFAOYSA-N 478.371 6.272 50 10 JKGE COc1ccc(-c2nn(-c3ccccc3)cc2C=C(C#N)S(=O)(=O)c2ccccc2)cc1Cl 2296715360 TZAPBJQTHUMFEN-UHFFFAOYSA-N 475.957 5.540 50 10 JKGE N#CC(=Cc1ccc(OC(=O)c2ccccc2)cc1)C(=O)Nc1ccc([N+](=O)[O-])cc1C(F)(F)F 2297551566 RVADCHKJKZAKOK-UHFFFAOYSA-N 481.386 5.378 50 10 JKGE Cc1cc(C)c([C@@H](Br)c2cc(Br)ccc2OCc2ccccc2)s1 2299491584 FYHZXIKNOIRICN-IBGZPJMESA-N 466.238 7.191 50 10 JKGE Brc1ccc(OCc2ccccc2)c([C@H](Br)[C@]23CCC[C@@H]2CC3)c1 2299492639 IQSBMGVCDHYTLN-CZAAIQMYSA-N 450.214 7.044 50 10 JKGE Brc1cc(OCc2ccccc2)ccc1[C@H](Br)[C@@H]1C[C@H]2CC[C@H]1C2 2299496434 NRXNFNYNFMIBER-DGCVBNHASA-N 450.214 6.900 50 10 JKGE Cn1ncc([C@H](Cl)c2cc(Br)ccc2OCc2ccccc2)c1Br 2299536103 WHSIXPJNRQTOIL-QGZVFWFLSA-N 470.592 5.852 50 10 JKGE Cn1nc(Br)c(Br)c1[C@@H](Cl)c1cc(Br)c(Cl)s1 2301043537 FHJYKTJQPRCMFU-LURJTMIESA-N 483.838 5.751 50 10 JKGE CC(F)(F)C1([C@@H](Br)c2sc(Cl)cc2I)CCC1 2301081855 SXNOJZPQOCDCPP-VIFPVBQESA-N 455.533 6.268 50 10 JKGE CCCC(CBr)(CBr)Cc1cc(I)ccc1Cl 2307331501 XDIDUZBIKVNFDG-UHFFFAOYSA-N 494.436 6.063 50 10 JKGE CCOc1cc(C=C(C#N)C(=O)Nc2ccccc2)cc(Cl)c1OCc1ccccc1F 2313541049 NSNFBKFVXOMOTI-UHFFFAOYSA-N 450.897 6.002 50 10 JKGE COc1ccc(NC(=O)C(C#N)=Cc2cc(Br)ccc2OCc2ccccc2Cl)cc1 2313676588 HBQOHYATNCERGJ-UHFFFAOYSA-N 497.776 6.236 50 10 JKGE COC[C@@]1([C@H](Br)c2ccc(OCc3ccccc3)cc2Br)CCCO1 2314454074 CIMDHFPRMCHJNR-WOJBJXKFSA-N 470.201 5.660 50 10 JKGE Brc1cc(OCc2ccccc2)ccc1[C@H](Br)[C@@H]1C[C@H]2O[C@H]1[C@@H]1C[C@H]21 2314456280 VVQDKKVONHBDMF-MRUFQTNVSA-N 464.197 5.888 50 10 JKGE Fc1cc(Cl)ccc1[C@H](Br)c1cc(Br)ccc1OCc1ccccc1 2314492600 XDLOKUMCMDHCBP-FQEVSTJZSA-N 484.590 7.305 50 10 JKGE Cc1c([C@@H](Cl)c2ccc(OCc3ccccc3)cc2Br)c(Br)nn1C 2314496719 DMUUZUOTWDTLQQ-SFHVURJKSA-N 484.619 6.161 50 10 JKGE Cc1ccccc1NC(=O)C(C#N)=Cc1c(Oc2ccccc2Cl)nc2c(C)cccn2c1=O 2314534130 ZFBSKDQCRBIGID-UHFFFAOYSA-N 470.916 5.303 50 10 JKGE C[C@@H]1C[C@]2([C@@H](Br)c3c(Cl)cc(Br)c(F)c3Br)C[C@H]12 2315442092 PEGAIAPZRXPIGK-FCNWNZSISA-N 461.394 6.486 50 10 JKGE COC(C)(C)C1([C@@H](Br)c2cc(Br)ccc2OCc2ccccc2)CC1 2320578204 OWXWTDCAAOBVKF-IBGZPJMESA-N 468.229 6.669 50 10 JKGE C[C@@H]1CCCN(Cc2ccc(I)c(Br)c2)[C@H]1CBr 2325206169 BUQPCJKMZOEOOD-YGRLFVJLSA-N 487.017 5.049 50 10 JKGE Cc1cc(Cl)ccc1NC=C(C#N)C(=O)Nc1ccc(I)cc1C 2325406314 PMSPPMMAOIAIQK-UHFFFAOYSA-N 451.695 5.020 50 10 JKGE CCOC(=O)c1c(-c2ccc(Cl)cc2)csc1NC(=O)C(C#N)=Cc1ccc(F)cc1 2329641031 CNORYMHNTMPAMA-UHFFFAOYSA-N 454.910 5.930 50 10 JKGE CCCCOc1ccc(C(O)=C(C#N)c2nc(-c3ccc4ccccc4c3)cs2)cc1OCC 2331238751 SJHAXIOUFUDKGP-UHFFFAOYSA-N 470.594 7.491 50 10 JKGE CCCCc1ccc(-c2csc(C(C#N)=C(O)C(=Cc3ccc(OC)cc3)c3ccccc3)n2)cc1 2331256007 NJEPTXWQMHWQEM-UHFFFAOYSA-N 492.644 8.195 50 10 JKGE CCCCc1ccc(N2C[C@@H](C(O)=C(C#N)c3nc(-c4ccc(C(C)C)cc4)cs3)CC2=O)cc1 2331340456 FHNYASJLVDIKDD-QHCPKHFHSA-N 485.653 7.122 50 10 JKGE COc1c(Cl)cc(Cl)cc1-c1csc(C(C#N)=C(O)C=Cc2ccc(C(C)C)cc2)n1 2331362579 DFOYIHFJDCGMDV-UHFFFAOYSA-N 471.409 7.755 50 10 JKGE COc1c(Cl)cc(-c2csc(C(C#N)=C(O)C=Cc3cccc(Cl)c3)n2)cc1Cl 2331396638 YFGJJOCLWYZFFF-UHFFFAOYSA-N 463.773 7.285 50 10 JKGE N#CC(=Cc1ccc(OCc2ccccc2Cl)cc1)c1nc(-c2ccc3c(c2)CCCC3)cs1 2331417144 WLDOFLVDKMQCHP-UHFFFAOYSA-N 483.036 7.985 50 10 JKGE C=CCOc1ccccc1C=C(C#N)c1nc(-c2ccc(OCCC)c(OCCC)c2)cs1 2331438056 WRQCSEWBURSYNX-UHFFFAOYSA-N 460.599 7.017 50 10 JKGE Fc1c(Cl)cccc1C[C@H](Br)c1ccc(OCc2ccccc2)cc1Br 2336047757 OKEUNZZJFDEAAI-SFHVURJKSA-N 498.617 7.499 50 10 JKGE Fc1cc(Cl)cc([C@H](Cl)c2ccc(OCc3ccccc3)cc2Br)c1F 2336077513 IQTPKUQNSGTGLA-LJQANCHMSA-N 458.129 7.288 50 10 JKGE C[C@@]1([C@@H](Br)c2c(Cl)cc(Br)c(F)c2Br)CCCOC1 2337086596 NTCVFNUQMATVNX-QWHCGFSZSA-N 479.409 6.257 50 10 JKGE C[C@@H](CC(F)(F)F)[C@@H](Br)c1c(Cl)cc(Br)c(F)c1Br 2337093096 AMTONXXIQSNLKL-RNHFCUEFSA-N 491.342 7.029 50 10 JKGE CCC[C@H](C(C)C)[C@H](Br)c1c(C)cc(Br)c(F)c1Br 2339653110 GDDOBBUMMXKQFT-MFKMUULPSA-N 459.035 7.167 50 10 JKGE BrCC(CBr)(C[C@@H]1C[C@H]2CC[C@@H]1O2)c1ccc(Br)cc1 2355000200 NVEZRFNLNVPPJZ-GLQYFDAESA-N 467.039 5.434 50 10 JKGE CCCCCCCCCC[C@@H](Br)c1cc(Br)ccc1OCc1ccccc1 2361190247 NDSDCJPEXAQCTJ-HSZRJFAPSA-N 496.327 8.995 50 10 JKGE FC(F)(F)[C@@H]1C[C@H](Br)CCN1Cc1c(Br)cccc1Br 2361419830 CJGVKHBAWHTWHP-PELKAZGASA-N 479.960 5.502 50 10 JKGE FC1(F)[C@H]2CCC[C@H]1CC([C@H](Cl)c1sc(Cl)cc1I)C2 2363960717 ZKNSXMRNLOXDPV-AUTRQRHGSA-N 451.147 6.748 50 10 JKGE COc1ccc(C[C@H](Br)c2c(Cl)sc(Cl)c2C)c(Br)c1 2364264622 ZPJYCZFKVYVMKP-NSHDSACASA-N 459.030 6.813 50 10 JKGE CC[C@H](C[C@H](Br)c1c(C)cc(Br)c(F)c1Br)C(C)(C)C 2365188073 HTADKKJVEKLZLW-MNOVXSKESA-N 473.062 7.558 50 10 JKGE O=C(Nc1cc(F)c(CBr)cc1F)c1cc(Br)sc1Br 2368835730 OOCNITJBWSSNBM-UHFFFAOYSA-N 489.961 5.699 50 10 JKGE FC1(F)C[C@](CCl)(Cc2ccc(I)c(Br)c2)C12CCC2 2377334149 GYZBQBKNIVCLOL-ZDUSSCGKSA-N 475.542 6.031 50 10 JKGE N#C/C(C(=O)NCc1ccccc1)=C1\S[C@H](Cc2ccc(F)cc2)C(=O)N1c1ccc(Cl)cc1 935217 HOMPCDJDJODJME-QPQMVVSWSA-N 491.975 5.222 50 10 JKGE CC(C)(C)OC(=O)NN(Cc1ccccc1)[C@@H](Cc1ccc(OCc2ccccc2)cc1)C(=O)O 4262354 IGHHIVXPMOIGMP-VWLOTQADSA-N 476.573 5.203 50 10 JKGE CCCC/C(=N\NC(=O)COc1c(C)cc(Br)cc1Br)c1ccccc1 12483366 LAWLAHAPHYADNX-PTGBLXJZSA-N 482.216 5.610 50 10 JKGE CC[C@H]1CCc2sc(C(=O)N/N=C(\C)c3ccc(NS(=O)(=O)c4ccc(C)cc4)cc3)cc2C1 13133685 QPLFGLNHTBSFPB-WRGIWNTCSA-N 495.670 5.526 50 10 JKGE CCCCCCOc1ccc(C(=O)NNC(=O)c2ccc(OCCc3ccccc3)cc2)cc1 14041627 JVIVRPBFPDLGLX-UHFFFAOYSA-N 460.574 5.342 50 10 JKGE CCCCCCOc1ccc(C(=O)NNC(=O)COc2ccc(Cl)cc2C)cc1Br 14640726 FWTNBVJBAXFNBD-UHFFFAOYSA-N 497.817 5.210 50 10 JKGE N#C/C(=C/c1cn(CC(=O)NCc2ccco2)c2ccccc12)C(=O)Nc1ccc2ccccc2c1 33932889 WUTHGDPTQANZCV-HMAPJEAMSA-N 474.520 5.250 50 10 JKGE N#C/C(=C/c1ccc(OC(=O)c2cc3ccccc3nc2Cl)cc1)c1nc2ccccc2[nH]1 35263345 VCMLAAWERTUAGE-AQTBWJFISA-N 450.885 6.048 50 10 JKGE CCCOc1ccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4ccc(Cl)cc4Cl)ccc32)cc1 38650636 ONYNBFAEICAJKX-DEOSSOPVSA-N 495.362 6.220 50 10 JKGE CC(C)(C)c1ccc(OCC(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@H]3c2ccccc2Cl)cc1 38651062 SKVPDELTYMKWSB-SANMLTNESA-N 488.971 5.840 50 10 JKGE COc1ccccc1[C@@H]1C(C#N)=C(N)Oc2cc(OC(=O)c3oc4ccc(F)cc4c3C)ccc21 38687271 SGLRAYQYRZDLAE-DEOSSOPVSA-N 470.456 5.326 50 10 JKGE C=CCOc1cccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4oc5ccccc5c4C)ccc32)c1 38701070 TZBQNWRSDJKSAG-SANMLTNESA-N 478.504 5.743 50 10 JKGE COc1cc(/C=N/NC(=O)COc2ccc(C(C)(C)c3ccccc3)cc2)ccc1OC(C)C 40911489 QGZIAKGHGHEFKA-RDRPBHBLSA-N 460.574 5.337 50 10 JKGE Cc1ccc(COc2cccc(/C=N/NC(=O)CSc3nnc(-c4ccccc4)s3)c2)cc1 40947826 QTWJBFUQJFTYHC-CVKSISIWSA-N 474.611 5.335 50 10 JKGE O=C(CSCc1ccccc1Cl)N/N=C/c1ccccc1OCc1ccc(C(=O)O)cc1 59154814 MASKFUZCQHQPFF-LGJNPRDNSA-N 468.962 5.001 50 10 JKGE CCCCCCCCCCCCCCCCCCOC(=S)N[C@@H]1CS(=O)(=O)C[C@@H]1Cl 59568241 HWKNHUMEPADBTI-FCHUYYIVSA-N 482.196 6.543 50 10 JKGE CCOc1cc(/C=C(/C#N)C(=O)Nc2cccc3ccccc23)c(Br)cc1OC(C)C 96438575 VRTQMRNRESNESN-UNOMPAQXSA-N 479.374 6.334 50 10 JKGE CC1=C(C#N)C(=O)N(C[C@@H]2CCCO2)C(=O)/C1=C/c1ccc(-c2cc(Cl)ccc2Cl)o1 101337224 QGGMTILMSZLIQH-KFXAOSDLSA-N 457.313 5.025 50 10 JKGE COc1ccc(/C(O)=N\C(=C\Cl)[P+](c2ccccc2)(c2ccccc2)c2ccccc2)cc1 102579625 FKDZDOJJASBGMN-MEFGMAGPSA-O 472.932 6.032 50 10 JKGE CCOC(=O)/C(C#N)=C/C=C(\c1ccc(Cl)cc1)N1CCN(c2ccc(Cl)cc2)CC1 108790996 FNKFPSSRWMGZTK-QMFGBYSBSA-N 456.373 5.170 50 10 JKGE COc1cc([C@H](Cl)c2cc(Br)sc2Br)cc(OC)c1OC 109825565 CONRTFSCUNTREH-LBPRGKRZSA-N 456.583 5.627 50 10 JKGE Brc1cc([C@H](Br)C2(c3ccccc3)CC2)sc1Br 128221315 YPVBFLLQOLVGLX-LBPRGKRZSA-N 451.021 6.441 50 10 JKGE Cc1ccc(C[C@@H](Br)c2cc(Br)c(C)cc2Br)cc1C 128823454 KLKPQLOTELPYAI-QGZVFWFLSA-N 461.035 6.816 50 10 JKGE CCCc1ccc([C@H](Br)c2cc(Br)c(Br)s2)cc1 128863677 XVRHNAOPOFJTKA-ZDUSSCGKSA-N 453.037 6.710 50 10 JKGE COc1cc(Cl)c([C@H](Br)c2ccc(I)cc2)cc1Cl 167000002 QZIVNZROFFNOQP-CQSZACIVSA-N 471.947 6.091 50 10 JKGE CCCCCOc1c(OC)cc(/C=C(/C#N)c2nc(-c3cccs3)cs2)cc1[N+](=O)[O-] 169939507 GWVQKLZQDAEVNJ-YBEGLDIGSA-N 455.561 6.422 50 10 JKGE COc1ccc(-c2nn(-c3ccccc3)cc2/C=C(\C#N)c2nnc(-c3ccccc3)n2C)cc1 210706981 JAKMWGPAYLXZAQ-OQKWZONESA-N 458.525 5.408 50 10 JKGE CCCCOc1ccc(/C=C2\C(=O)N(CCc3ccc(OC)cc3)C(=O)C(C#N)=C2C)cc1OCC 214403999 PZRDMLJRDYRWKD-ULJHMMPZSA-N 488.584 5.108 50 10 JKGE Brc1cc(Br)cc([C@H](Br)c2ccc3c(c2)OCCO3)c1 232453966 RANSSKQQLKSEDC-OAHLLOKOSA-N 462.963 5.467 50 10 JKGE Cc1cc(F)c([C@@H](Br)c2cc(Cl)ccc2I)cc1F 235920504 ZIAFGFIVEGVYLP-CQSZACIVSA-N 457.483 6.016 50 10 JKGE Cn1c(SCC(=O)N/N=C(\Cc2ccccc2)c2ccc(-c3ccccc3)cc2)nc2ccccc21 253565211 HKYIEURWVVAVDF-QVAGMWBUSA-N 490.632 6.096 50 10 JKGE O=C(Nc1scc(-c2ccccc2)c1C(=O)NN=Cc1ccc([N+](=O)[O-])cc1)c1ccccc1 254306955 CLUWDBHUQVVNQU-UHFFFAOYSA-N 470.510 5.340 50 10 JKGE C=CCOc1ccc(C(=O)NN=Cc2c(OC(=O)c3cccc(C)c3)ccc3ccccc23)cc1 254412046 HLLQZWUELHLFRU-UHFFFAOYSA-N 464.521 5.696 50 10 JKGE Cc1cccc(-n2c(C)cc(C=NNC(=O)CSC3c4ccccc4-c4ccccc43)c2C)c1 254615291 FLBITMDLLKGNCD-UHFFFAOYSA-N 465.622 6.356 50 10 JKGE CCCCCCCCCCOc1ccc(C(=O)NN=Cc2ccc(-c3cccc([N+](=O)[O-])c3)o2)cc1 254789857 AWWXQSSJOCQKOK-UHFFFAOYSA-N 491.588 7.138 50 10 JKGE COc1ccc(C(C)=NNC(=O)CCn2cnc(-c3ccccc3)c2-c2ccccc2)cc1OC 254876231 RWLIXZBDESPQFI-UHFFFAOYSA-N 468.557 5.165 50 10 JKGE Cc1c(C(=O)Nc2ccc(N=Nc3ccccc3)cc2)oc2c1/C(=N/NC(=O)c1ccccn1)CCC2 256018217 SJAXICCNWQRJDN-LROUCZEGSA-N 492.539 6.121 50 10 JKGE Fc1cc2c(cc1I)nc(CCCl)n2C[C@H]1CCCN1Cc1ccccc1 390595625 AICSZLSWDJGIIU-MRXNPFEDSA-N 497.783 5.226 50 10 JKGE COc1ccc(C=NNC(=O)CN2CCn3c4c(c5cc(C6CCCCC6)ccc53)CCC[C@@H]42)cc1 607737394 VAMSSRSUXVXOMV-NDEPHWFRSA-N 484.644 5.541 50 10 JKGE biogenic CCCCCCCCCCOc1ccc(C(=O)NN=Cc2c(C)nn(-c3ccc(C)cc3)c2C)cc1 1083899238 BQGUNQVDOVFLPH-UHFFFAOYSA-N 488.676 7.081 50 10 JKGE N#C/C(=C\c1cccc(OCc2ccc(Br)cc2)c1)C(=O)Nc1ccccc1F 1083997841 PBYMFJJAGOEXED-LDADJPATSA-N 451.295 5.713 50 10 JKGE COc1ccc(CSCC(=O)NN=Cc2ccc(OCc3ccc(Cl)cc3)cc2)cc1 1084180559 RQYFKBZTQOSNNN-UHFFFAOYSA-N 454.979 5.311 50 10 JKGE Cc1cc(C=NNC(=O)CSc2ccc(Cl)cc2)c(C)n1-c1cc(Cl)ccc1Cl 1084301116 GMFGYQFIMJNXMX-UHFFFAOYSA-N 466.821 6.297 50 10 JKGE COc1ccc(CNC(=O)/C(C#N)=C/c2ccccc2OCc2ccc(Br)cc2)cc1 1084367475 FYEHRTYGOQJSTC-KGENOOAVSA-N 477.358 5.260 50 10 JKGE N#C/C(=C/c1ccc(OCc2ccc(Cl)cc2Cl)cc1)C(=O)Nc1cc(Cl)ccc1Cl 1084394849 WYSZNAHPUKPUSH-SXGWCWSVSA-N 492.189 7.425 50 10 JKGE CCOc1ccc([C@@H](O)CCC(=O)NN=Cc2ccccc2OCc2ccc(Cl)cc2)cc1 1084653976 RURXUDGENSYVET-DEOSSOPVSA-N 466.965 5.282 50 10 JKGE O=C(NN=Cc1ccc(-c2cccc(C(F)(F)F)c2)o1)C(F)(F)C(F)(F)C(F)(F)F 1565518944 SLVLGQKMPGOVMA-UHFFFAOYSA-N 450.232 5.248 50 10 JKGE Cc1ccc(NC(=O)c2oc3c(c2C)C(=NNC(=O)c2cccc4ccccc24)CCC3)cc1Cl 1772747367 GXNITGOFIYFSGU-UHFFFAOYSA-N 485.971 6.426 50 10 JKGE Cc1c(C(=O)N(C)c2ccccc2)oc2c1C(=NNC(=O)c1cccc3ccccc13)CCC2 1772749286 ZJVCXEBJHKJABC-UHFFFAOYSA-N 451.526 5.488 50 10 JKGE COc1cc(C=NNC(=O)COc2cc(C)c(Cl)c(C)c2)ccc1OCCc1ccccc1 1772753752 HDQANZDCQNRVRR-UHFFFAOYSA-N 466.965 5.116 50 10 JKGE CCCCOc1ccc(C=NNC(=O)COc2cc(C)c(Cl)c(C)c2Br)cc1OC 1772756552 QYXLJEJVJKAVSE-UHFFFAOYSA-N 497.817 5.436 50 10 JKGE O=C(Nc1ncccc1OCCCOc1ccc(Cl)cc1)Oc1ccc([N+](=O)[O-])cc1F 1858692353 IMFCRROUQQFMMX-UHFFFAOYSA-N 461.833 5.241 50 10 JKGE Cc1ccc(C)c(Cn2nc(C(F)(F)F)c3c2OC(N)=C(C#N)[C@@H]3c2ccccc2Cl)c1 1865685954 PKKHXQFESBWJHS-SFHVURJKSA-N 458.871 5.439 50 10 JKGE COc1ccc(-c2nn(Cc3cc(C)ccc3C)c3c2[C@@H](c2ccccc2Cl)C(C#N)=C(N)O3)cc1 1865686162 RZTGKGRHIPNQNJ-VWLOTQADSA-N 496.998 6.095 50 10 JKGE CCCOc1ccc([C@H]2C(C#N)=C(N)Oc3c2c(CC)nn3-c2ccc(Cl)c(Cl)c2)cc1 1865694069 PEABVQWMBADNNJ-NRFANRHFSA-N 469.372 5.748 50 10 JKGE N#CC1=C(N)Oc2c(c(-c3ccccc3)nn2Cc2cccc(F)c2)[C@H]1c1c[nH]c2ccccc12 1865699877 FPYPRDIDLZKNRC-XMMPIXPASA-N 461.500 5.437 50 10 JKGE CC[C@@H](NC(=O)CC(c1ccc(F)cc1)c1ccc(F)cc1)C(=O)Nc1ccc(SC#N)cc1 1866759259 YWSBTNMEGICOOQ-XMMPIXPASA-N 479.552 5.593 50 10 JKGE CCCCCCCCCOc1ccc(/C=C(\C#N)c2ccc(C(=O)OC(C)C)o2)cc1OCC 1872728411 AKKGRMXAELVPAS-PTGBLXJZSA-N 467.606 7.437 50 10 JKGE COc1ccc(/C=C(\C#N)c2ccc(C(=O)OC(C)C)o2)cc1OCc1ccc(Cl)cc1 1872728680 NSVMNCOASSHEMG-XDHOZWIPSA-N 451.906 6.150 50 10 JKGE C[C@@H](Oc1ccc(Cl)cc1)/C(O)=C(\C#N)c1nc(-c2ccc(Br)cc2)cs1 1872746469 JLDXOQLTIIBZSX-JFLJVCDGSA-N 461.768 6.486 50 10 JKGE N#C/C(=C(/O)C12CC3CC(CC(C3)C1)C2)c1nc(-c2ccc(Oc3ccccc3)cc2)cs1 1872753759 LQSXDLIDNVKCQT-LCUIJRPUSA-N 454.595 7.611 50 10 JKGE Cc1cccc(OC/C(O)=C(\C#N)c2nc(-c3ccc(Oc4ccccc4)cc3)cs2)c1C 1872753814 OEFVWJVDNLBSLF-BZZOAKBMSA-N 454.551 7.091 50 10 JKGE CCOc1ccc(-c2csc(/C(C#N)=C/c3cccc(OC)c3OCc3cccc(C)c3)n2)cc1 1872790685 YUCDRDSTPSCKQK-LFVJCYFKSA-N 482.605 7.169 50 10 JKGE CCOc1cc(/C=C(\C#N)c2nc(-c3c(C)cc(C)cc3C)cs2)cc(Br)c1O 1872794308 VBAPEAVAQHOBFD-CAOOACKPSA-N 469.404 6.666 50 10 JKGE CCCOc1ccc(-c2csc(/C(C#N)=C(\O)c3ccc4cc[nH]c4c3)n2)cc1OCCC 1872818368 ZCZDWNZXSJUGFC-QQTULTPQSA-N 459.571 6.819 50 10 JKGE CSCC[C@H](NC(=O)OC(C)(C)C)C(=O)N/N=C/c1ccccc1OCc1ccccc1Cl 1873795057 PPWFXLQYJVMPLG-WNFNFYEPSA-N 492.041 5.016 50 10 JKGE O=S(=O)(c1cc(CBr)c(Cl)cc1Cl)N(Cc1ccccc1)Cc1ccccc1 1885378084 JUAKJCBVVPWFBR-UHFFFAOYSA-N 499.257 6.279 50 10 JKGE C[C@H](CCBr)N(Cc1ccccc1)Cc1sc(Cl)cc1Br 1892990435 YTFHCOJREYVWOT-GFCCVEGCSA-N 451.655 6.340 50 10 JKGE CCC[C@@H]1C[C@H]1[C@H](Cl)c1c(Br)sc(Br)c1Br 1897487802 HJILGEYOSJSKNL-KCRUCZTKSA-N 451.449 6.752 50 10 JKGE O=S(=O)(c1ccccc1C(F)(F)F)N(Cc1ccccc1)[C@H](CBr)C1CC1 1915170673 AHKSMJDBVJWHMX-QGZVFWFLSA-N 462.331 5.070 50 10 JKGE O=C(Cc1ccccc1I)N(Cc1ccccc1)[C@H](CBr)C1CC1 1915268794 ACQXSJXSFPUIQT-LJQANCHMSA-N 498.202 5.036 50 10 JKGE CC(C)[C@@H](CBr)N(Cc1ccccc1)C(=O)c1ccc(Br)c(O)c1 1915298688 WJIURSWPUZIVFR-QGZVFWFLSA-N 455.190 5.217 50 10 JKGE CC(C)[C@H](CBr)N(Cc1ccccc1)c1ncc(Br)cc1C(F)(F)F 1915323201 QOIXFPAWWSLGQW-INIZCTEOSA-N 480.166 6.289 50 10 JKGE CC(C)(CBr)N(Cc1ccccc1)c1ncc(Br)cc1Br 1915750885 MJCIPUNUKZEGOJ-UHFFFAOYSA-N 477.038 5.787 50 10 JKGE Brc1cc([C@H](Br)c2sc(Br)cc2Br)co1 1922893307 VRTUPXLXJZLVHD-QMMMGPOBSA-N 479.813 6.113 50 10 JKGE FC(F)CC1([C@@H](Br)c2c(Br)sc(Br)c2Cl)CCC1 1923073733 ZZQLFTYFRZHCKL-QMMMGPOBSA-N 487.429 7.188 50 10 JKGE FC1(F)CC([C@H](Br)c2c(Br)sc(Br)c2Cl)C1 1923074363 LFBGGQHVUQDROS-YFKPBYRVSA-N 459.375 6.408 50 10 JKGE C[C@@H](Br)C(=O)c1c(Br)sc(Br)c1Br 1924569339 UEBQTXMZYYVBFW-UWTATZPHSA-N 455.791 5.002 50 10 JKGE Cc1cc([C@@H](Br)c2sc(C)c(Br)c2C)c(Br)s1 1951016793 UBDQRIOCFLRVRB-SNVBAGLBSA-N 459.066 6.744 50 10 JKGE Cc1cc(Br)c([C@H](Br)c2cc(Br)c(Cl)s2)s1 1981406429 DJTBGBPVZRFLMF-MRVPVSSYSA-N 465.457 6.781 50 10 JKGE C[C@@H](c1cccs1)N(Cc1ccccc1)c1c(CBr)ccc(Br)c1Cl 2036849268 PZMHYJUCXQFKTQ-AWEZNQCLSA-N 499.699 7.827 50 10 JKGE C[C@@H]1C[C@H](N(C)c2c(CBr)ccc(Br)c2Cl)CN1Cc1ccccc1 2037329411 SOFGUYGMCLFTBL-PBHICJAKSA-N 486.679 6.097 50 10 JKGE Clc1c(Br)sc(Br)c1[C@H](Br)[C@H]1CCCCC12CC2 2053372874 ZEGUXLICOLVVNG-VXNVDRBHSA-N 477.487 7.333 50 10 JKGE Cc1c(Br)sc([C@H](Br)[C@H]2CCCOC2(C)C)c1Br 2066882976 HJBFANLFCVUQOB-PSASIEDQSA-N 461.057 6.223 50 10 JKGE CN(C[C@H]1C[C@@H](Br)C1)c1c(CBr)ccc(Br)c1Cl 2076244581 JKHDGWJAYYYMBZ-WAAGHKOSSA-N 460.435 5.607 50 10 JKGE Cc1ccc([C@H](Cl)c2cccc(Br)c2Br)c(C)c1Br 2092334254 GUEHJTKPPAGEJX-HNNXBMFYSA-N 467.426 6.919 50 10 JKGE F[C@H](CBr)C1CCN(Cc2cccc(Br)c2Br)CC1 2106953437 YHSGPPMLTVYUHE-CYBMUJFWSA-N 458.007 5.157 50 10 JKGE Cc1cccc([C@@H](Br)Cc2cccc(Cl)c2F)c1I 2113464591 XVQNQGYEOGHYHF-LBPRGKRZSA-N 453.520 6.071 50 10 JKGE COC[C@@H]1CC[C@@H](Cc2cc(Cl)ccc2I)C[C@@H]1Br 2127232136 VXZQYPAIPHHUEN-MJVIPROJSA-N 457.577 5.313 50 10 JKGE Cc1cc(Br)c([C@H](Br)C[C@H]2C[C@H]2C(F)(F)F)cc1Br 2128765885 IZQFNAUAUKRZMJ-JWKOBGCHSA-N 464.945 6.545 50 10 JKGE COc1cc(Cl)c([C@@H](Br)c2scc(C)c2Br)cc1Br 2137661909 HKEDARYYXXUPHL-GFCCVEGCSA-N 489.454 6.728 50 10 JKGE Cc1c(Br)ccc([C@H](Br)[C@@H](C)C2CCCCC2)c1Br 2138873581 PZXKOEVHCVFGCI-ZUZCIYMTSA-N 453.056 7.172 50 10 JKGE Fc1cc(Cl)c([C@H](Br)Cc2ccccc2I)cc1Cl 2139425255 BVSVPVHFMWCWFX-SNVBAGLBSA-N 473.938 6.416 50 10 JKGE Cl[C@H](c1c(Br)sc(Br)c1Br)[C@@H]1C[C@H]2COC[C@H](C2)C1 2141794590 UWLVCABSWUEREX-RFOGZPIASA-N 493.486 6.378 50 10 JKGE COc1ccc([C@H](Br)c2ccc(I)c(C)c2)c(Cl)c1 2142141708 YAGREWUUOHMDOZ-OAHLLOKOSA-N 451.529 5.746 50 10 JKGE C[C@@H](CBr)[C@H]1CCCCN1C(=O)c1c(Br)cccc1Br 2150495793 YYHZMDVFUFQQPJ-GXFFZTMASA-N 468.027 5.237 50 10 JKGE O=C(c1cccc(Br)c1Br)N1[C@H]2CCC[C@H](Br)[C@H]1CC2 2154099397 TZBOBEMQSUNYBV-XHVZSJERSA-N 466.011 5.132 50 10 JKGE COc1cccc([C@H](Br)CCc2cccc(Br)c2Br)c1 2155652540 CBQCOBSPGWJTTP-CQSZACIVSA-N 463.007 6.289 50 10 JKGE C[C@H](Cl)c1nc2cc(I)ccc2n1[C@@H]1CCCN(Cc2ccccc2)CC1 2160560593 RKWXQPSXDPOOHM-QFBILLFUSA-N 493.820 6.168 50 10 JKGE CCC(CC)(CBr)CN1CC[C@@H](C(F)(F)F)[C@@H](CNC(=O)OC(C)(C)C)C1 2163058922 OWMUXFPMFWTHDU-LSDHHAIUSA-N 459.391 5.213 50 10 JKGE CC[C@H](Br)[C@@H]1CCCCN1C(=O)c1cc(Br)cc(Br)c1 2170615697 SBLBEIXRHAKBHE-KBPBESRZSA-N 468.027 5.380 50 10 JKGE O=C(c1ccc(C(F)(F)F)cc1Cl)N(Cc1ccccc1)C1(CBr)CCC1 2179258827 IIIKLZICKREHSV-UHFFFAOYSA-N 460.721 6.319 50 10 JKGE Cc1nn(C)c([C@H](Br)c2scc(C(F)(F)F)c2Br)c1Br 2192371873 BLUNHTRVGJETJD-QMMMGPOBSA-N 496.972 5.818 50 10 JKGE O=C(c1cc(Cl)cc(C(F)(F)F)c1)N(Cc1ccccc1)[C@@H](CBr)C1CC1 2200838185 YCJHWBAOIGRCCI-SFHVURJKSA-N 460.721 6.175 50 10 JKGE Cc1cc(Br)c(C)c([C@H](Br)CC2CCCCCC2)c1Br 2201073852 ORZUWLYEPGWSSY-OAHLLOKOSA-N 467.083 7.625 50 10 JKGE COc1ccc([C@H](Br)c2ccc(Cl)cc2Br)c(Cl)c1Cl 2203433546 QECFCZNNBAVHEV-GFCCVEGCSA-N 459.392 6.902 50 10 JKGE CCCC1CCC([C@@H](Br)c2ccc(Br)c(C)c2Br)CC1 2203685193 JEKDAVXOAZKYMW-QWQCLYJRSA-N 467.083 7.563 50 10 JKGE Cc1cc(Br)c([C@H](Br)[C@H]2C[C@@H](Br)C2)c(C)c1Br 2214651821 DCTWIGXGKMYOJO-VYUIOLGVSA-N 489.871 6.438 50 10 JKGE Cc1ccc([C@@H](Br)c2sc(Br)c(C)c2C)c(Br)c1 2218792243 WQKXVOPEMFFYCZ-GFCCVEGCSA-N 453.037 6.683 50 10 JKGE CC1(C)CCN(Cc2ccccc2)CCN1c1cc(Br)ccc1CBr 2223453999 JMASCZJDWLCNKS-UHFFFAOYSA-N 466.261 5.835 50 10 JKGE Cl[C@H](c1c(Br)sc(Br)c1Br)[C@@H]1OC[C@H]2CCCC[C@H]21 2224945423 NFFCADULSDYORV-JJHYMCDRSA-N 493.486 6.521 50 10 JKGE Cc1cc(Br)c([C@H](Br)[C@@H]2CCCC2(C)C)c(C)c1Br 2227346413 CVOINIQMCDLZER-XHDPSFHLSA-N 453.056 7.091 50 10 JKGE Cl[C@H](Cc1sc(Br)c(Br)c1Br)CN1CCCCCC1 2230054938 IXQPNUIQVJUGGV-SECBINFHSA-N 494.518 6.062 50 10 JKGE Cc1ccc(I)c([C@@H](Cl)c2cc(C3CC3)c(Br)s2)c1 2232224065 VFRRDIIJSQHBMZ-CQSZACIVSA-N 467.597 6.629 50 10 JKGE FC(F)([C@H]1CCOC1)[C@@H](Br)c1c(Br)cc(Cl)c(Cl)c1Cl 2232508341 DPHBAKXTQKSLKS-DYEAUMGKSA-N 473.366 6.517 50 10 JKGE C[C@H](Cl)c1nc2c(F)cc(Br)cc2n1[C@@H]1C[C@@H](C)N(Cc2ccccc2)C1 2232921241 WLFVEGPTGDTZRB-JKIFEVAISA-N 450.783 6.073 50 10 JKGE Cc1nscc1C[C@H](Br)c1cc(I)ccc1Br 2246958749 DGQUMROIAGFADC-LBPRGKRZSA-N 486.998 5.497 50 10 JKGE Cc1sc([C@@H](Cl)c2cc(Br)cc(Br)c2)c(Br)c1C 2253509127 MUKOHICRMMTZIE-LBPRGKRZSA-N 473.455 6.981 50 10 JKGE CN(Cc1ccccc1I)c1cc(Cl)ccc1CBr 2265546405 OHOXFIXVHKVLNU-UHFFFAOYSA-N 450.545 5.476 50 10 JKGE COC1([C@@H](Br)c2cc(Br)c(Br)cc2F)CC(CF)C1 2266351413 XKVXJJNNFIPSEL-QEIRPPLWSA-N 462.954 5.551 50 10 JKGE Cc1c(Br)ccc([C@H](Br)[C@H]2COC3(CCC3)C2)c1Br 2269383108 RBBRQUZDYLITBR-QMTHXVAHSA-N 453.012 5.915 50 10 JKGE CC(C)CN(C[C@@H](C)Br)C(=O)c1cc(Br)ccc1Br 2272427716 DMELDKLEWBSYPC-SNVBAGLBSA-N 456.016 5.093 50 10 JKGE COC1([C@@H](Br)c2c(F)cc(Br)c(F)c2Br)CC(C)C1 2272842214 IYOZXTOSVHWKSH-BZCBFNEHSA-N 462.954 5.741 50 10 JKGE Brc1cc(Br)cc(C[C@H](Br)[C@@]23CCCC[C@H]2CC3)c1 2277956896 RHTSFGGZFIUWTN-VBNZEHGJSA-N 451.040 6.488 50 10 JKGE CCC1CCC(CI)(OCc2cccc(Br)c2C)CC1 2283669477 OVAAPJQWOVXOMY-UHFFFAOYSA-N 451.186 6.048 50 10 JKGE CCOC(=O)c1c(-n2c(C)cc(C=C(C#N)C(=O)Nc3ccccc3)c2C)sc2c1CCCC2 2294193410 MRUVHIFJOZBTJZ-UHFFFAOYSA-N 473.598 5.757 50 10 JKGE Fc1cc(Br)c(Br)cc1[C@@H](Br)c1ccc(C(F)(F)F)s1 2295256850 QSJXUBWQRLXVPZ-LLVKDONJSA-N 496.943 6.915 50 10 JKGE Brc1cc(Br)cc(C[C@H](Br)[C@H]2CCCCC23CCC3)c1 2295331022 CYBIBFCZOLQBQV-CVEARBPZSA-N 465.067 6.878 50 10 JKGE COc1c(Br)cc(Cl)c(C)c1[C@@H](Cl)c1cc(C)c(Br)s1 2295373618 VBCSHAAVWUUMHH-LBPRGKRZSA-N 459.030 6.880 50 10 JKGE N#CC(C(=O)Nc1ccccc1F)=C1S[C@H](Cc2ccc(Cl)cc2)C(=O)N1c1ccccc1 2296507150 VQJHFDFBOORJGU-JOCHJYFZSA-N 477.948 5.544 50 10 JKGE COc1ccc(NC(=O)C(C#N)=Cc2c(Oc3cc(C)ccc3C(C)C)nc3ccccn3c2=O)cc1 2296721720 GBCCSLNLIKPBEU-UHFFFAOYSA-N 494.551 5.473 50 10 JKGE Cc1nsc(Br)c1[C@H](Cl)c1ccc(OCc2ccccc2)cc1Br 2299489834 SWBBHUJHIJCGNL-QGZVFWFLSA-N 487.644 6.884 50 10 JKGE CC(C)(C1CCC1)[C@H](Br)c1cc(Br)ccc1OCc1ccccc1 2299528212 PPKFKQKMICYTEN-HXUWFJFHSA-N 452.230 7.290 50 10 JKGE Cc1c(CO[C@@H]2CN(C(=O)OC(C)(C)C)C[C@@H]2I)ccc(Cl)c1Cl 2301380588 YRUPWTLRZXLWEM-UONOGXRCSA-N 486.177 5.241 50 10 JKGE CCOc1cc(C=C(C#N)C(=O)Nc2ccc(Cl)c(Cl)c2)cc(Br)c1OC 2313631843 WXMDFZLLWXELBM-UHFFFAOYSA-N 470.150 5.709 50 10 JKGE C[C@@H](NC(=O)C(C#N)=Cc1ccc(OCc2ccc(Cl)cc2Cl)cc1)c1ccccc1 2313671170 MYVYWVXJXYVNJY-QGZVFWFLSA-N 451.353 6.357 50 10 JKGE N#CC(=Cc1cc(Cl)ccc1OCc1cccc(Cl)c1)C(=O)Nc1cccc(C(F)(F)F)c1 2313676609 JEHIYRYHMZIROC-UHFFFAOYSA-N 491.296 7.137 50 10 JKGE N#CC(=Cc1ccc(-c2cccc(C(F)(F)F)c2)o1)c1nc(-c2ccc(Cl)cc2)cs1 2314456925 JKGOUOHBXVXONO-UHFFFAOYSA-N 456.876 7.806 50 10 JKGE N#CC(=Cc1cn(-c2ccccc2)nc1-c1cccc2ccccc12)c1nc2ccccc2s1 2314489566 RNVOBHQUNZBEOH-UHFFFAOYSA-N 454.558 7.366 50 10 JKGE N#CC(=Cc1ccc(-c2cccc(F)c2)o1)C(=O)Nc1cc(C(F)(F)F)cc(C(F)(F)F)c1 2314572262 XGLSQFKTSUFZIF-UHFFFAOYSA-N 468.328 6.669 50 10 JKGE CC1=C(C#N)C(=O)N(CCCOC(C)C)C(=O)C1=Cc1ccc(OCc2ccc(Cl)cc2)cc1 2314618425 NIHXPLOSZVXCRO-UHFFFAOYSA-N 478.976 5.326 50 10 JKGE CCCc1sc(Br)cc1[C@H](Br)c1cc(Br)oc1C 2316179100 XCHIQYPTBZRSGG-CYBMUJFWSA-N 457.025 6.611 50 10 JKGE COCC1([C@H](Br)c2sc(Cl)cc2I)CC(F)(F)C1 2316600806 KWQSKMOAERRJIA-SECBINFHSA-N 471.532 5.504 50 10 JKGE Clc1ccc([C@@H](Br)c2ncn3ccsc23)c(I)c1 2317772961 IMRWFEOKZSJIKX-SNVBAGLBSA-N 453.530 5.138 50 10 JKGE COCc1ccc([C@@H](Br)c2ccc(Cl)cc2I)s1 2317774145 OUWIVUXBAXAPOO-ZDUSSCGKSA-N 457.558 5.637 50 10 JKGE CCCOc1c(OCC)cc(C=NNC(=O)C23CC4C[C@](C)(C2)C[C@@](C)(C4)C3)cc1[N+](=O)[O-] 2323138599 SLELXGFPZWDLRT-VJMWJIOOSA-N 457.571 5.229 50 10 JKGE N#CC(=C(O)CNC(=O)c1ccc(Cl)cc1Cl)c1nc(-c2cccc(Cl)c2)cs1 2331293850 KQCLXYSFBIQEOE-UHFFFAOYSA-N 464.761 5.993 50 10 JKGE COc1ccc(OCCCC(O)=C(C#N)c2nc(-c3ccc(OC)cc3OC)cs2)cc1 2331385550 NSALGVQPNNJNGP-UHFFFAOYSA-N 452.532 5.488 50 10 JKGE CCOc1ccc(-c2csc(C(C#N)=C(O)CCCOc3ccc(OC)cc3)n2)c(OCC)c1 2331389096 RFUQUAPZRFCYOU-UHFFFAOYSA-N 480.586 6.268 50 10 JKGE CC(C)(C)c1ccc(OCCCC(O)=C(C#N)c2nc(-c3cc(Cl)ccc3Cl)cs2)cc1 2331404594 SWDMOTKGBNOPOQ-UHFFFAOYSA-N 487.452 8.066 50 10 JKGE CCCOc1ccc(-c2csc(C(C#N)=Cc3cccc(OCc4ccccc4)c3)n2)cc1 2331445652 WNEKTHMPKHKWTC-UHFFFAOYSA-N 452.579 7.242 50 10 JKGE ClCc1ccc(Br)c(OCc2cc(Br)cc(Br)c2)n1 2337103056 TVRSTAGRPXLISL-UHFFFAOYSA-N 470.386 5.687 50 10 JKGE Cn1nc(Br)c(Br)c1[C@H](Cl)c1cc(C2CC2)c(Br)s1 2338720285 POJKJKFMYXGJMU-SECBINFHSA-N 489.458 5.975 50 10 JKGE Cc1cc(Br)c(F)c(Br)c1[C@H](Br)[C@@H]1CC2(CC2)CO1 2339655004 WREFFEIGNPEDPJ-GXSJLCMTSA-N 456.975 5.664 50 10 JKGE COc1c(Br)cc(C)c([C@@H](Br)C[C@@H]2CC23CC3)c1Br 2339658879 MSOPGWWETFGYDR-ZJUUUORDSA-N 453.012 6.155 50 10 JKGE Fc1cc([C@H](Br)c2c(Cl)sc(Br)c2Cl)c(Cl)cc1Cl 2351642662 PIEDMUJHKKMWRH-QMMMGPOBSA-N 487.830 7.748 50 10 JKGE Cn1nc([C@H](Cl)c2c(Cl)cc(Br)c(F)c2Br)c(Cl)c1Cl 2362228198 MWNGSXULSDECEM-SSDOTTSWSA-N 485.793 6.373 50 10 JKGE COc1cc([C@@H](Cl)c2cc(Br)sc2Br)c(OC)cc1Cl 2363535570 VQZYTWBSZOVWTN-GFCCVEGCSA-N 461.002 6.272 50 10 JKGE Cn1nc(Br)c(Br)c1[C@H](Br)c1ccc2c(c1)CCCC2 2364064916 XATUQAVUYIODOJ-GFCCVEGCSA-N 463.011 5.308 50 10 JKGE Cc1cc(Br)c(F)c(Br)c1[C@@H](Br)[C@@H]1OC[C@@H]2CCC[C@@H]21 2365180908 UEYNMDHJABZEOM-SEWBUJKGSA-N 471.002 5.910 50 10 JKGE Cc1cc(Br)c(F)c(Br)c1[C@@H](Br)c1ccc(Cl)c(F)c1 2365215756 NGCPHKJEWAIUCF-LBPRGKRZSA-N 489.379 6.936 50 10 JKGE O=C(c1cc(Br)c(Br)s1)N1CCC[C@@H](Br)[C@H]1C(F)(F)F 2370245804 YYKCUAOTLDNARN-XRGYYRRGSA-N 499.972 5.204 50 10 JKGE N#C/C(=C/C=C(\Cl)c1ccc(Br)cc1)c1nc(-c2ccc(Cl)cc2Cl)cs1 2906159 DTHCXABGGLIZDZ-LZDQXKKKSA-N 496.644 8.066 50 10 JKGE COc1cccc(N/C(SCc2ccccc2Cl)=C(/C#N)C(=O)NCc2ccccc2)c1 3052508 SCEDSOWZJQUWHC-YYDJUVGSSA-N 463.990 5.745 50 10 JKGE COC(=O)c1ccccc1NC(=O)/C(C#N)=C/c1ccc(-c2ccc(Br)cc2)o1 27473863 JKKPYILZLKHLQA-NTCAYCPXSA-N 451.276 5.041 50 10 JKGE Cc1ccc(NNC(=O)C2CCN(c3nc(-c4ccccc4)c4cc(C)ccc4n3)CC2)cc1 35549509 CQJVMANVAXHWAP-UHFFFAOYSA-N 451.574 5.273 50 10 JKGE Cc1cc2oc(C(=O)Oc3ccc4c(c3)OC(N)=C(C#N)[C@H]4c3ccco3)c(C)c2cc1Cl 38688514 PYRSWKRLMUSRGR-QFIPXVFZSA-N 460.873 5.733 50 10 JKGE N#C/C(=C\c1ccc(-c2cccc([N+](=O)[O-])c2)o1)C(=O)Nc1ccc(C(F)(F)F)c(Cl)c1 39884878 ADQORUNGBFZNFP-UKTHLTGXSA-N 461.783 6.073 50 10 JKGE Cc1ccccc1C(=O)N/N=C1\CCCc2oc(C(=O)Nc3cc(Cl)cc(Cl)c3)c(C)c21 40811483 XZHLATFRTORMCI-TURZUDJPSA-N 470.356 5.926 50 10 JKGE Cc1c(C(=O)Nc2cccc3ncccc23)oc2c1/C(=N/NC(=O)c1cccc3ccccc13)CCC2 40813635 GJJFNMIWUMIYPV-INKHBPHZSA-N 488.547 6.012 50 10 JKGE COc1cc(/C=N/NC(=O)COc2ccc(C(C)C)c(C)c2)ccc1OCc1ccccc1Cl 40911106 DJYYFLYLKMOIOP-WKULSOCRSA-N 480.992 5.889 50 10 JKGE Cc1ccc(COc2ccc(/C=N/NC(=O)COc3ccc(C)cc3Br)cc2)cc1 40911753 QIVRIVAVRNPPKI-VULFUBBASA-N 467.363 5.174 50 10 JKGE COc1cc(OC)c(OC)cc1/C=N/NC(=O)c1ccc(-n2c(C)ccc2-c2ccccc2)cc1 59305381 ZZBUGWNINUHHOC-RDRPBHBLSA-N 469.541 5.242 50 10 JKGE CCOc1cc(/C=C(\C#N)C(=O)Nc2ccccc2)cc(Br)c1OCc1ccc(C)cc1 59484111 LBJREHFUTPDVOZ-FYJGNVAPSA-N 491.385 6.281 50 10 JKGE CCOc1cc(/C=N\NC(=O)c2ccc(Cl)cc2Cl)ccc1OC(=O)/C=C\c1ccccc1 59500474 YYUFIQBGDGOKMY-HIZVMSJDSA-N 483.351 5.775 50 10 JKGE Cc1cccc(OCCCOc2ccc(/C=C(/C#N)C(=O)NCc3ccco3)cc2Cl)c1 96473348 IKMCPZOLOZAAPB-ZHZULCJRSA-N 450.922 5.313 50 10 JKGE CC1=C(C#N)C(=O)N(Cc2ccc(F)cc2)C(=O)/C1=C/c1ccc(OCc2ccccc2)cc1 101340598 IBUCTNLHCXNDKR-MFKUBSTISA-N 452.485 5.197 50 10 JKGE C[C@@H]1CC(C)(C)N2CCC(C)(C)c3cc(/C=C\C4=CC(=C(C#N)C#N)C=C(C(C)(C)C)O4)cc1c32 101710739 DIWDPVMOQKJXBB-GDCKJWNLSA-N 467.657 7.661 50 10 JKGE COc1ccc(Cl)cc1N/C=C(\C#N)c1nc(-c2cc3c(ccc4ccccc43)oc2=O)cs1 102402892 PWYSXYKFDUOUFG-DTQAZKPQSA-N 485.952 6.708 50 10 JKGE CCCCCCCCOc1ccc(/C=N/NC(=O)c2ccc(N(CCC)CCC)cc2)cc1 103735761 CBDWCPDOYCHWLH-BYNJWEBRSA-N 451.655 6.816 50 10 JKGE CCOc1ccc([C@@H](Br)c2ccccc2I)cc1OCC 109852332 MFVRRLJQYVHTKA-QGZVFWFLSA-N 461.137 5.573 50 10 JKGE CC[C@]1(C)[C@@H](Br)C[C@@H]1Oc1cc(Br)c(OC)cc1Br 118643597 HFQYJQIOTGLLGN-MELADBBJSA-N 457.000 5.551 50 10 JKGE Cc1ccccc1C(CBr)(CBr)Cc1ccc(Br)s1 118671079 PJGYYJXDBZHLAQ-UHFFFAOYSA-N 467.064 6.089 50 10 JKGE Brc1cccc([C@@H](Br)c2ccc(Br)c3ccccc23)c1 127468530 QRESCFCNLZLLGV-QGZVFWFLSA-N 454.987 6.849 50 10 JKGE CCOc1ccc(C)cc1[C@@H](Br)c1cc(Br)c(Br)s1 128871581 XTXPAULZSFWRBO-CYBMUJFWSA-N 469.036 6.465 50 10 JKGE Cc1ccc([C@H](Br)c2cc3c(cc2Br)OCCO3)cc1Br 130458239 UJWOSRUBSBAUTK-INIZCTEOSA-N 476.990 5.776 50 10 JKGE CCOc1ccc([C@@H](Br)c2cc(C)cc(Br)c2)c(Br)c1 132020157 MVBZYQWRKATZIN-INIZCTEOSA-N 463.007 6.403 50 10 JKGE C[C@@H](Cl)c1nc2cc(F)c(Br)cc2n1-c1ccccc1I 158512501 HBVADOOLMGVCMJ-MRVPVSSYSA-N 479.518 5.832 50 10 JKGE Cc1ccc([C@H](Br)c2cc(Br)ccc2Br)c2ccccc12 161107308 BUWCOUHCWPGCKN-SFHVURJKSA-N 469.014 7.158 50 10 JKGE CCOc1cc(Cl)c([C@@H](Br)c2cc(F)cc(Br)c2)cc1Cl 164555819 ZHZPVASVOPUKSC-HNNXBMFYSA-N 456.964 6.778 50 10 JKGE CCCCCOc1ccccc1[C@@H]1C(C#N)=C(N)Oc2cc(OC(=O)/C=C\c3ccc(C)cc3)ccc21 205661518 FWFPAJKWIXFZDD-GVDXOYGXSA-N 494.591 6.401 50 10 JKGE Cc1ccc(-c2ccc(/C=C(/C#N)C(=O)Nc3ccc(OC(F)(F)F)cc3)o2)c([N+](=O)[O-])c1 209391329 DWBQTTOFEQBQON-KAMYIIQDSA-N 457.364 5.608 50 10 JKGE CCCCCCCCCCCCCCCCCCCC(=O)OCI 218559189 HLSWOCADXXNKOD-UHFFFAOYSA-N 452.461 7.964 50 10 JKGE COc1ccc([C@H](Br)c2ccc(Br)c(Cl)c2)c(OC)c1Br 224854771 GFYBMUIMHKZVNG-CYBMUJFWSA-N 499.424 6.367 50 10 JKGE Cc1cc(Br)c([C@@H](Br)c2ccc(F)cc2I)s1 235812901 OISNOIIFVBNEMT-NSHDSACASA-N 489.973 6.047 50 10 JKGE CC(C)CCC[C@H](C)[C@@H]1CC[C@@H]2[C@H]3CC=C4CC[C@@H](OC(=O)CCCl)C[C@]4(C)[C@@H]3CC[C@@]12C 253534609 YALMZSOWQWEZFX-PRAHVWKNSA-N 477.173 8.569 50 10 JKGE O=C(NN=Cc1ccc(N(c2ccccc2)c2ccccc2)cc1)c1ccccc1-n1cccc1 263629000 MXSHLLLJNJCHMR-UHFFFAOYSA-N 456.549 6.711 50 10 JKGE O=C(Nc1cccc(CCBr)c1)c1scc(Br)c1Br 705437411 GPOFRZFRFSADCK-UHFFFAOYSA-N 468.008 5.463 50 10 JKGE Cc1cc(Br)c([C@@H](Br)c2cscc2C(F)(F)F)cc1Br 717186657 PRCOESFTKRLCAQ-GFCCVEGCSA-N 492.980 7.085 50 10 JKGE O=C(NN=Cc1ccccc1Oc1ccc(C(F)(F)F)cc1[N+](=O)[O-])c1cccc([N+](=O)[O-])c1 1083980760 WZPUUHLTIZOMGB-UHFFFAOYSA-N 474.351 5.078 50 10 JKGE C=CCOc1c(Cl)cc(C=NNC(=O)c2ccc(-n3c(C)ccc3-c3ccccc3)cc2)cc1OC 1084046483 OTQCYOIUUYQPSH-UHFFFAOYSA-N 499.998 6.443 50 10 JKGE Cc1cc(C=NNC(=O)c2ccc(CSCc3ccccc3)cc2)c(C)n1-c1ccccc1 1084263278 FPLVINULVWGTRD-UHFFFAOYSA-N 453.611 6.291 50 10 JKGE Fc1cc(C(F)(F)F)ccc1[C@H]1CN(Cc2ccccc2)C[C@@H]1CI 1614627324 JYZXAMCJXNNCRX-YOEHRIQHSA-N 463.256 5.495 50 10 JKGE Cc1c(C(=O)Nc2ccc(Cl)cn2)oc2c1C(=NNC(=O)c1ccccc1Cl)CCC2 1772743792 ISQSLVBIGBJJHB-UHFFFAOYSA-N 457.317 5.013 50 10 JKGE Cc1cc(OC(=O)c2oc3c(c2C)C(=NNC(=O)Cc2ccc([N+](=O)[O-])cc2)CCC3)ccc1Cl 1772746540 CJHYTAVKEKMLKH-UHFFFAOYSA-N 495.919 5.077 50 10 JKGE Cc1c(C(=O)Oc2ccc(Cl)cc2Cl)oc2c1C(=NNC(=O)Cc1ccccc1)CCC2 1772748647 BWJWPUKBRUEIMF-UHFFFAOYSA-N 471.340 5.513 50 10 JKGE CC[C@@H](Cl)C(=O)O[C@H]1CC[C@@]2(C)C(=CC[C@@H]3[C@@H]2CC[C@]2(C)[C@H]([C@@H](C)CCCC(C)C)CC[C@@H]32)C1 1848665338 AYVNXDFYJLGZKZ-ZMRDLJTHSA-N 491.200 8.957 50 10 JKGE CCCc1nn(Cc2ccc(Cl)cc2)c2c1[C@@H](c1ccc(Cl)cc1Cl)C(C#N)=C(N)O2 1865686210 SCJDFCCTBNEMBO-FQEVSTJZSA-N 473.791 6.062 50 10 JKGE CCCCCCOc1ccc([C@@H]2C(C#N)=C(N)Oc3c2c(-c2ccccc2)nn3CC)cc1OC 1865695918 JACLZUXZIYVSPF-XMMPIXPASA-N 472.589 5.756 50 10 JKGE CCCc1nn(-c2ccccc2)c2c1[C@H](c1ccccc1OCc1ccc(Cl)cc1)C(C#N)=C(N)O2 1865701210 OZICUCOGBLFCCU-AREMUKBSSA-N 496.998 6.275 50 10 JKGE COc1cccc([C@@H]2C(C#N)=C(N)Oc3c2c(-c2ccccc2)nn3Cc2ccc(Cl)cc2)c1 1865711608 CJFDCWPQLGQIET-HSZRJFAPSA-N 468.944 5.479 50 10 JKGE Cc1ccc([C@@H](CC(=O)N[C@H](C(=O)Nc2ccc(SC#N)cc2)c2ccccc2)C(C)C)cc1 1866735218 GDGSTIJEKNTLSH-BDYUSTAISA-N 471.626 6.194 50 10 JKGE COc1ccc2c(c1)c(/C=C1\Oc3cc(OCc4ccc(CCl)cc4)ccc3C1=O)cn2C 1871436515 BWMTWENBFADBFQ-RAWMCFOBSA-N 459.929 6.121 50 10 JKGE COc1cc(/C(O)=C(\C#N)c2nc(-c3ccc(Cl)cc3Cl)cs2)c([N+](=O)[O-])cc1OC 1872744764 HDFKBBOOAKEMCY-UYRXBGFRSA-N 478.313 5.992 50 10 JKGE CC[C@H](C)[C@H](/C(O)=C(\C#N)c1nc(-c2ccc(OC)c(C)c2)cs1)N1C(=O)c2ccccc2C1=O 1872746640 QVJMXVQHKOLIRD-PDQXICHASA-N 487.581 5.631 50 10 JKGE F[C@H]([C@@H](Br)c1cc(Br)ccc1OCc1ccccc1)C(F)(F)F 1899853841 XQHNDOXEZMHEIB-LSDHHAIUSA-N 456.071 6.365 50 10 JKGE C[C@H]([C@H](Br)c1ccc(OCc2ccccc2)cc1Br)C(F)(F)F 1899880998 CTEHVXXVLYOECW-BZNIZROVSA-N 452.108 6.663 50 10 JKGE Fc1cc(Br)c2nc(CCl)n(CC[C@H]3CCN(Cc4ccccc4)C3)c2c1 1912667732 BYGMQUZGLDOBOS-MRXNPFEDSA-N 450.783 5.589 50 10 JKGE C[C@H](Cl)c1nc2c(Br)cc(F)cc2n1CC[C@H](C)N(C)Cc1ccccc1 1912669124 JYDNXGMFJUOJNZ-GJZGRUSLSA-N 452.799 6.148 50 10 JKGE CC(C)[C@H](CBr)N(Cc1ccccc1)C(=O)c1c(F)cccc1Br 1915298002 NVVMJIGGURYBQW-KRWDZBQOSA-N 457.181 5.650 50 10 JKGE CC(C)(C)c1cccc([C@@H](Br)c2sc(Br)cc2Br)c1 1922898327 URFVTZCUSNHXCM-CYBMUJFWSA-N 467.064 7.055 50 10 JKGE Clc1c(Br)sc(Br)c1[C@H](Cl)c1cscc1Br 1923055793 YXNIOOMGMXXUBA-ZCFIWIBFSA-N 485.875 7.079 50 10 JKGE C[C@@H](C[C@H](Cl)c1c(Br)sc(Br)c1Br)C(F)F 1924569257 SDKODIXIMOASJN-IMJSIDKUSA-N 461.391 6.607 50 10 JKGE COCC1([C@@H](Cl)c2c(Br)sc(Br)c2Br)CCCCC1 1924570745 MLCIBMXNOTYNRI-JTQLQIEISA-N 495.502 6.912 50 10 JKGE CN(CCN(Cc1ccccc1)C[C@@H](CBr)c1ccccc1)Cc1ccccc1 1931961256 IKTBQWKXLMEQFC-AREMUKBSSA-N 451.452 5.799 50 10 JKGE Clc1cc(Br)c([C@H](Br)c2csc(I)c2)s1 1933590149 VYGXMYOQYXMVCY-MRVPVSSYSA-N 498.430 6.314 50 10 JKGE Clc1sc([C@@H](Cl)c2csc(Br)c2Br)cc1Br 1937734903 RTIPBACGCNSECO-ZETCQYMHSA-N 485.875 7.079 50 10 JKGE Cc1sc([C@@H](Cl)c2csc(Br)c2Br)cc1Br 1937735187 XBORZAMDYDFRBF-VIFPVBQESA-N 465.457 6.734 50 10 JKGE Clc1cc(Br)c([C@@H](Br)c2ccc(Br)c(Cl)c2)s1 1948823940 SMKXPJRWNCZINS-JTQLQIEISA-N 479.846 7.064 50 10 JKGE Brc1cc([C@@H](Br)C2(Br)CC2)c(Br)s1 1953929956 XYNWEOPXNYAVJO-ZCFIWIBFSA-N 453.819 5.637 50 10 JKGE C[C@@H]1C[C@@H]1CC[C@@H](Cl)c1c(Br)sc(Br)c1Br 1989526166 BBUSFYBYKHMMOP-DSYKOEDSSA-N 451.449 6.752 50 10 JKGE Cl[C@@H](c1c(Br)c(Br)cc(Br)c1Br)C1CCC1 1995047032 CRRKJYWDGXORNF-LLVKDONJSA-N 496.262 6.817 50 10 JKGE C[C@@]1([C@@H](Br)c2c(Br)sc(Br)c2Cl)COCCO1 2021896517 OCTIOYMGZJMLIM-XVKPBYJWSA-N 469.420 5.168 50 10 JKGE COC(=O)C1=CO[C@H](O[Si](C)(C)C(C)(C)C)[C@@H]2C(CO[Si](C)(C)C(C)(C)C)=CC[C@H]12 2053693232 HAGFWYAXZUANKA-YFVAEKQCSA-N 454.756 6.006 50 10 JKGE Clc1cc([C@@H](Cl)c2cc(I)sn2)c(Cl)c(Cl)c1Cl 2056495062 ACIMIKCASAQAPV-SSDOTTSWSA-N 473.377 6.690 50 10 JKGE CCOc1ccc([C@@H](Br)c2cc(Br)sn2)cc1Br 2056497251 RKGXWJKGGDLPOK-GFCCVEGCSA-N 455.997 5.551 50 10 JKGE Fc1ccc(I)c(Cn2nc(-c3ccccc3)cc2CBr)c1 2070080739 KZPURGHZPCFQKW-UHFFFAOYSA-N 471.111 5.237 50 10 JKGE COC[C@@]1([C@H](Br)c2cc(Br)c(C)cc2Br)CCCO1 2090694156 WEIZNGVGBOPTBR-ZIAGYGMSSA-N 457.000 5.152 50 10 JKGE O=C(NC1(CBr)CCCCC1)c1c(Br)cccc1Br 2094089672 YWQPBXBXRQDXFJ-UHFFFAOYSA-N 454.000 5.039 50 10 JKGE Cc1cc(Oc2c(CBr)ccc(Br)c2Cl)ccc1Br 2098117889 RCSJRGVTTPIONO-UHFFFAOYSA-N 469.398 6.861 50 10 JKGE CC1(C)CCCN(C(=O)c2cc(Br)c(Br)s2)[C@H]1CBr 2129324624 KZTGENVGSWASCZ-JTQLQIEISA-N 474.056 5.299 50 10 JKGE CC1(C)OCCC[C@@]1(CBr)Cc1ccc(Br)cc1Br 2130451314 DQLJXTMVAPBQFC-HNNXBMFYSA-N 455.028 5.724 50 10 JKGE Cc1cc(Br)c(C)c([C@H](Br)[C@H]2OCCO[C@@H]2C)c1Br 2136370622 OZVCFUKUSIPFCB-IIMNLJJBSA-N 457.000 5.068 50 10 JKGE Cc1cc(Br)c(C)c([C@@H](Br)C(C)(C)C2CCC2)c1Br 2136384656 SECZBFXCTHTDKJ-OAHLLOKOSA-N 453.056 7.091 50 10 JKGE Cc1cc(Cl)c(Br)cc1[C@@H](Br)c1cc(F)cc(Br)c1 2137644870 ZZZGCSLKDQXHFN-AWEZNQCLSA-N 471.389 6.797 50 10 JKGE Cc1ccccc1C[C@H](CBr)Cc1cccc(Br)c1Br 2148750175 GGTGHKYBYQISBV-ZDUSSCGKSA-N 461.035 6.316 50 10 JKGE FC(F)(F)c1cc(CC[C@@H](Br)COCc2ccccc2)cc(C(F)(F)F)c1 2155651700 OQNDLCUGWQHWRT-QGZVFWFLSA-N 455.236 6.637 50 10 JKGE Cc1cc(Br)c(CBr)c(N2CCN(Cc3ccccc3)[C@@](C)(C3CC3)C2)c1 2173448900 FJCHAYZNMBCRIR-HSZRJFAPSA-N 492.299 6.143 50 10 JKGE CO[C@]1(C(F)(F)F)C[C@H]([C@@H](Cl)c2sc(Br)c(C)c2Br)C1 2182021429 IDCNSKCYCKPSSB-HLEGCSNESA-N 456.549 6.219 50 10 JKGE FCC12CC(COc3c(Br)cc(CBr)cc3Br)(CO1)C2 2202754167 LHACNWDMPJMSAQ-UHFFFAOYSA-N 472.974 5.004 50 10 JKGE COc1ccc([C@@H](Br)c2ccc(Cl)cc2Br)c(Cl)c1Cl 2203433547 QECFCZNNBAVHEV-LBPRGKRZSA-N 459.392 6.902 50 10 JKGE CC(C)(C)[C@]1(CBr)CCN(Cc2ccc(I)c(Cl)c2)C1 2208030336 RNSWYASAYUUDTJ-INIZCTEOSA-N 470.620 5.578 50 10 JKGE Fc1cc(Br)c(Br)cc1[C@@H](Br)CC(F)(F)C(F)(F)F 2225616223 DNBVGBQKPLQQQK-ZETCQYMHSA-N 478.850 6.374 50 10 JKGE CC1(C)C[C@@H](C[C@H](Br)c2cc(Br)c(Br)cc2F)CO1 2225617245 NDJGBOLUKPMIRZ-SCZZXKLOSA-N 458.991 5.992 50 10 JKGE Fc1cc(Br)c(Br)cc1[C@H](Br)[C@H]1C[C@@H]2CC[C@H](C1)O2 2225620134 QZKGOKUUNHEVFM-RBTHTUONSA-N 456.975 5.744 50 10 JKGE COc1c(C(C)C)cc(Br)cc1[C@@H](Br)c1nscc1Br 2233158880 FSYOXGYIAYUMGE-GFCCVEGCSA-N 484.051 6.284 50 10 JKGE Cc1cc(Br)c([C@@H](Br)C2CCC(C)(C)CC2)c(C)c1Br 2235601419 WASCMZQFEPHTQG-INIZCTEOSA-N 467.083 7.481 50 10 JKGE COc1cc(Br)c([C@H](Br)c2ccc(F)c(Br)c2)cc1C 2236010712 QZPWSUGHADELBV-OAHLLOKOSA-N 466.970 6.152 50 10 JKGE Fc1cc(F)c([C@@H](Br)Cc2ccccc2Br)c(F)c1Br 2236114444 LDEFFZZTUCGTMC-VIFPVBQESA-N 472.924 6.308 50 10 JKGE Cc1c(Br)sc([C@H](Br)C2(C)CC3(CC(F)(F)C3)C2)c1Br 2239249708 YNMOQLBUCLRVON-JTQLQIEISA-N 493.049 7.233 50 10 JKGE O=C(c1cc(Br)c(Br)s1)N1[C@H](CBr)C[C@@H]2CCCC[C@H]21 2240764584 WRFOLBABFYYLDO-ATZCPNFKSA-N 486.067 5.441 50 10 JKGE Brc1cc2sc([C@H](Br)c3ccccc3Br)cc2s1 2263564525 WKJJCEOHUKZCNN-CYBMUJFWSA-N 467.045 6.972 50 10 JKGE Cc1cc(Br)c([C@@H](Br)c2cc(Br)oc2C)c(C)c1F 2264492108 LSFFTYXOOMOUKV-ZDUSSCGKSA-N 454.959 6.353 50 10 JKGE COc1ccc([C@H](Br)c2cccc(Cl)c2Br)c(Br)c1 2267978961 CHWVVAJXYNVPFV-ZDUSSCGKSA-N 469.398 6.358 50 10 JKGE COc1ccc([C@H](Cl)c2c(C)cccc2Br)cc1I 2269555245 VZWCLQBCGMOANH-HNNXBMFYSA-N 451.529 5.699 50 10 JKGE COc1cc(OC)c([C@@H](Cl)c2csc(I)c2)cc1Br 2278031690 LTDUOGMTJVIGDH-ZDUSSCGKSA-N 473.557 5.461 50 10 JKGE N#CC(=Cc1cc(Br)ccc1OCc1cccc2ccccc12)C(=O)NCc1ccco1 2293420468 BTNUUBMFLHWRNL-UHFFFAOYSA-N 487.353 5.998 50 10 JKGE O=C(CSc1nnc(SCc2ccc(Cl)cc2)s1)NN=CC(Cl)=Cc1ccccc1 2293735613 YGLWVYKFGKFKHJ-UHFFFAOYSA-N 495.482 5.958 50 10 JKGE CCc1ccccc1NC(SCc1ccccc1F)=C(C#N)S(=O)(=O)c1ccccc1 2297350018 MJNRAURKTIENIT-UHFFFAOYSA-N 452.576 5.900 50 10 JKGE Cc1cccc(NC(=O)C(C#N)=Cc2ccc(Nc3c(C)n(C)n(-c4ccccc4)c3=O)cc2)c1 2297388072 NQOWQVKFIXWEQP-UHFFFAOYSA-N 463.541 5.082 50 10 JKGE N#CC(=Cc1ccc(-c2cccc(Cl)c2)o1)C(=O)Nc1ccc([N+](=O)[O-])cc1Br 2297551577 SIKFPWNNEFZDJT-UHFFFAOYSA-N 472.682 5.816 50 10 JKGE CC[C@@H]([C@H](Br)c1ccc(OCc2ccccc2)cc1Br)C(C)(F)F 2299529679 FDSCTOLOBKYCQL-FUHWJXTLSA-N 462.172 7.146 50 10 JKGE CCOC(=O)C(C#N)=Cc1cc(Br)c(OCc2ccc(Cl)cc2)c(OCC)c1 2313521286 CSKOWQXJQOTKRA-UHFFFAOYSA-N 464.743 5.550 50 10 JKGE N#CC(=Cc1cn(Cc2ccc(F)cc2)c2ccccc12)C(=O)Nc1cccc(Cl)c1Cl 2313571330 SOTOESDHODQROG-UHFFFAOYSA-N 464.327 6.681 50 10 JKGE Clc1ccc([C@@H](Cl)c2ccc(OCc3ccccc3)cc2Br)cc1Cl 2314494334 IBTPJSVWZLKPDT-HXUWFJFHSA-N 456.594 7.663 50 10 JKGE COc1ccc(C=CC(=O)Oc2ccc(C=C(C#N)c3nc(-c4cccs4)cs3)cc2)cc1 2314548617 FHOSZTWVDVIZRW-UHFFFAOYSA-N 470.575 6.563 50 10 JKGE CCc1ccc(C[C@H]2SC(=C(C#N)C(=O)Nc3ccc(C)cc3)N(c3ccc(CC)cc3)C2=O)cc1 2314592216 OCLSSXQCFCXMCO-HHHXNRCGSA-N 495.648 6.185 50 10 JKGE C=CCNC(=O)C(C#N)=C1S[C@H](Cc2cccc(Cl)c2)C(=O)N1c1ccc(C(C)C)cc1 2314593876 VJSSOKRNRGLIPN-JOCHJYFZSA-N 466.006 5.192 50 10 JKGE CC1=C(C#N)C(=O)N(C2CCCC2)C(=O)C1=Cc1cn(-c2ccccc2)nc1-c1ccc(C)c(F)c1 2314617024 PEJUBEIWTFMYOI-UHFFFAOYSA-N 480.543 5.522 50 10 JKGE CCCCCOc1ccc(C=C2C(=O)N(CCCOC(C)C)C(=O)C(C#N)=C2C)cc1OCC 2314619017 YFLVQVLBYJVYAS-UHFFFAOYSA-N 468.594 5.062 50 10 JKGE CC(C)c1ccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)C=Cc4ccc(Cl)cc4)ccc32)cc1 2314634293 YRWZPQKJHBYBJE-HHHXNRCGSA-N 470.956 6.300 50 10 JKGE Fc1c(Br)cc(Cl)c([C@H](Br)C[C@H]2CC23CC3)c1Br 2315445389 LXXWJUABYALYEW-NKWVEPMBSA-N 461.394 6.630 50 10 JKGE Cc1c(Br)sc([C@@H](Br)[C@@H]2CC[C@H]2C(C)(C)C)c1Br 2320154970 MLSLVCZDMKUPTG-KKZNHRDASA-N 459.085 7.090 50 10 JKGE CCCOc1ccc(C=CC(=O)NNC(=O)c2ccc(-c3ccc(Cl)cc3Cl)nc2C)cc1 2321143326 XBVCVEPKPXMCAP-UHFFFAOYSA-N 484.383 5.627 50 10 JKGE COc1cc(C=NNC(=O)c2ccc3[nH]c4c(c3c2)CCCC4)ccc1OCc1cccc(Cl)c1 2321672362 XRHZGDLQLZXPBW-UHFFFAOYSA-N 487.987 6.052 50 10 JKGE Cc1cc(NC=C(C#N)C(=O)Nc2ccccc2Sc2ccccc2)ccc1Br 2325339561 FJARQVBVOIJCOJ-UHFFFAOYSA-N 464.388 6.367 50 10 JKGE CCCCc1ccc(-c2csc(C(C#N)=C(O)C=Cc3ccc(OCC)c(OC)c3)n2)cc1 2331255817 DMILFEICJNLOFQ-UHFFFAOYSA-N 460.599 7.066 50 10 JKGE COc1ccc(OCC(O)=C(C#N)c2nc(-c3cc(C)cc(C)c3OC)cs2)c(C(C)(C)C)c1 2331373169 HQCSLUUYXVPHSN-UHFFFAOYSA-N 478.614 6.613 50 10 JKGE COc1cc(-c2csc(C(C#N)=C(O)c3cc(Cl)ccc3OC)n2)c(OC)cc1Cl 2331376857 DBFBJSWIPZAFMU-UHFFFAOYSA-N 463.342 6.093 50 10 JKGE CCOc1cc(C=C(C#N)c2nc(-c3ccccc3OC)cs2)ccc1OCc1ccc(C)cc1 2331434757 WNCKEWXBXYUNMO-UHFFFAOYSA-N 482.605 7.169 50 10 JKGE CCCN(CCC)C(=O)COc1ccc(C=C(C#N)c2nc(C(C)(C)C)cs2)cc1OC 2331443389 ISDHRWVITKSBAW-UHFFFAOYSA-N 455.624 5.541 50 10 JKGE Fc1c(Cl)cccc1C[C@@H](Br)c1cc(Br)ccc1OCc1ccccc1 2336038216 LJUIOSGTFCXFPO-GOSISDBHSA-N 498.617 7.499 50 10 JKGE CC[C@](C)(C(F)F)[C@@H](Br)c1c(Br)cc(Cl)c(Cl)c1Cl 2336598358 ZYKQAWBLJPNDTN-JQWIXIFHSA-N 459.383 7.527 50 10 JKGE CC(C)([C@@H](Cl)c1c(Cl)cc(Br)c(F)c1Br)S(C)(=O)=O 2337083463 ZWPDWQANPDRKGC-JTQLQIEISA-N 456.986 5.107 50 10 JKGE CC1(C)C[C@@H]([C@@H](Br)c2c(Cl)cc(Br)c(F)c2Br)CO1 2337084566 MQTMFTLTKKHJMM-LHLIQPBNSA-N 479.409 6.255 50 10 JKGE Fc1c(Br)cc(Cl)c([C@H](Br)C23CCC(CC2)O3)c1Br 2337106756 LVKBJRUCHADLBS-BZCBFNEHSA-N 477.393 6.152 50 10 JKGE Cc1cccc(CBr)c1OCc1ccc(Cl)c(I)c1 2337277109 OZBPFDFBLPIPPU-UHFFFAOYSA-N 451.529 5.727 50 10 JKGE C=CCC(CBr)(CBr)CCc1ccc(OC)cc1Br 2339444331 STNDUISAGLZCIT-UHFFFAOYSA-N 455.028 5.743 50 10 JKGE COc1c(Br)cc(C)c([C@@H](Br)[C@@H]2CCCOC2)c1Br 2339639018 HUEFMXYDMBAISS-SKDRFNHKSA-N 457.000 5.391 50 10 JKGE CC(C)(C)c1ccc([C@H](Br)c2ccc(Cl)cc2I)s1 2340065833 XCCQDJNYEHHZLM-CQSZACIVSA-N 469.613 6.788 50 10 JKGE Clc1cc(Br)c([C@H](Br)[C@H]2OC[C@@H]3CCC[C@H]23)c(Cl)c1Cl 2358468438 HUNSTURSWXEQMN-LSVXKCHBSA-N 463.424 6.660 50 10 JKGE Cc1cccc(C[C@@H](Br)c2c(Cl)cc(Br)c(F)c2Br)c1 2362221642 DGVWDJXLIKVMHY-SNVBAGLBSA-N 485.416 6.991 50 10 JKGE Cc1cc(Br)c(F)c(Br)c1[C@H](Br)[C@@H]1COC2(C)CC1C2 2365195494 BTMQAALSZOLYBN-ITQSFQTNSA-N 471.002 5.910 50 10 JKGE CN(CC[C@@H](Br)c1cccs1)Cc1cc(Cl)ccc1I 2366194658 OQKPGQBGSIGTIY-CYBMUJFWSA-N 484.628 5.964 50 10 JKGE CC1(C)CCC(C)(C)[C@@H](Cc2ccc(Cl)cc2I)[C@H]1Br 2366729282 JZBBGCYLXUEWMX-DZGCQCFKSA-N 469.632 6.713 50 10 JKGE C[C@@](CBr)(OCc1cc(I)ccc1Cl)c1ccccc1 2380354138 UYTDFFNWELHDQD-INIZCTEOSA-N 465.556 5.772 50 10 JKGE O=C(c1ccc(Br)s1)N(/N=C/c1ccc([N+](=O)[O-])o1)c1nc2ccc(F)cc2s1 9149105 CWIBUFGTLZYRPS-DNTJNYDQSA-N 495.311 5.442 50 10 JKGE CC[C@H](C)c1ccccc1O[C@H](CC)C(=O)NNC(=O)[C@@H](C)Oc1ccc(Cl)cc1Cl 10683330 DTQUOEGBYQJTRF-QMTMVMCOSA-N 467.393 5.279 50 10 JKGE CC(C)(C)c1ccc(C(=O)NNC(=O)C(c2ccccc2)c2ccccc2)cc1Br 12492681 SYXLIWNDQWEZGR-UHFFFAOYSA-N 465.391 5.340 50 10 JKGE COc1cc(/C=C(/C#N)c2ccc(Cl)cc2)ccc1OC(=O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1 31902190 HOMUQRRZDNBJHE-IUXPMGMMSA-N 479.832 5.448 50 10 JKGE N#C/C(C(=O)Nc1cccc2ccccc12)=C1\S[C@H](Cc2ccccc2)C(=O)N1c1ccccc1 33517853 ANACNVMZHFQITH-AHCSBEPMSA-N 475.573 5.905 50 10 JKGE Cc1cccc(N2C(=O)CS[C@H]2c2ccc(NC(=O)[C@H](Cl)c3ccccc3)cc2)c1C 35927173 CCIMRFDAEUYZSW-NOZRDPDXSA-N 450.991 6.001 50 10 JKGE CCCCOc1cccc(C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@H]3c2ccc(OCCC)cc2)c1 38650702 HCTRHBQIZURQNC-NDEPHWFRSA-N 498.579 6.092 50 10 JKGE CC(C)COc1ccc(C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@@H]3c2ccccc2F)cc1 38652099 VESMGTKULLPILL-RUZDIDTESA-N 458.489 5.298 50 10 JKGE Cc1ccc2c(Cl)c(C(=O)Oc3ccc4c(c3)OC(N)=C(C#N)[C@H]4c3ccc(C)o3)sc2c1 38688660 HIRNSQVFVSZUMU-NRFANRHFSA-N 476.941 6.202 50 10 JKGE COc1ccc(Oc2nc3c(C)cccn3c(=O)c2/C=C(/C#N)C(=O)Nc2cccc(Cl)c2)cc1 39858577 OPLKMEKQJCXYGF-LGMDPLHJSA-N 486.915 5.003 50 10 JKGE CCOc1ccc(/C=N/NC(=O)COc2ccc(-c3ccccc3)cc2Br)cc1OCC 40911393 WBQFYJLTJFYAJV-JVWAILMASA-N 497.389 5.443 50 10 JKGE CC(C)(C)c1ccc(OCCCC(=O)N/N=C/c2cccc3ccccc23)c(Br)c1 40951462 DZPUZMSHCRCUFO-WPWMEQJKSA-N 467.407 6.209 50 10 JKGE COc1cc(/C=C2/C(=O)N(C(C)C)C(=O)C(C#N)=C2C)ccc1OCc1ccc(Cl)cc1Cl 101334058 GNRJXIDVYYKFAB-DJKKODMXSA-N 485.367 5.582 50 10 JKGE CCOc1ccc(-c2csc(/C(C#N)=C\Nc3ccc(I)cc3)n2)cc1 102937666 YXUYACWIIQODPI-QINSGFPZSA-N 473.339 5.790 50 10 JKGE CCCCCCOc1ccc(/C=C(/C#N)C(=O)Nc2ncc(Cc3ccc(C)cc3)s2)cc1 102974018 ZYCWRQNOMHHEPV-KQWNVCNZSA-N 459.615 6.547 50 10 JKGE Cc1ccc(C(C)C)c(Oc2nc3ccccn3c(=O)c2/C=C(/C#N)C(=O)NCc2ccccc2)c1 103873670 YHISLHPHQMFWIM-JWGURIENSA-N 478.552 5.142 50 10 JKGE Cc1ccccc1C(CBr)(CBr)Cc1ccc(F)cc1Br 118877213 ZAEZKKVEXPCBMQ-UHFFFAOYSA-N 479.025 6.167 50 10 JKGE COc1cc(F)c(Br)cc1[C@@H](Br)c1ccc(F)cc1Br 234866137 QVYYNBIHQRTPQZ-AWEZNQCLSA-N 470.933 5.983 50 10 JKGE COc1ccc([C@@H](Br)c2cc(Br)ccc2I)cc1C 234971892 GHAXDOWLARQBNU-OAHLLOKOSA-N 495.980 5.855 50 10 JKGE COc1ccc([C@H](Cl)c2cc(I)ccc2Br)c(Cl)c1 234994421 WQBVFSLEHDKUHR-AWEZNQCLSA-N 471.947 6.044 50 10 JKGE Cc1ccc(S(=O)(=O)Nc2ccc(C(=O)NN=Cc3ccc(OCc4ccccc4)cc3)cc2)cc1 254290727 DCRSMLBHKIBJJO-UHFFFAOYSA-N 499.592 5.139 50 10 JKGE O=C(NN=Cc1c2ccccc2cc2ccccc12)C(=O)Nc1ccccc1C(=O)NC1CCCCC1 254451234 RWZJYLHWFYMBKF-UHFFFAOYSA-N 492.579 5.144 50 10 JKGE C=CCc1cccc(C=NNC(=O)CSc2nnc(-c3ccc(C)cc3)n2C2CCCCC2)c1O 254699998 WGXFDXIDVDYCTG-UHFFFAOYSA-N 489.645 5.435 50 10 JKGE Cc1ccc([C@@H]2CN(C(=O)OCc3ccccc3)C[C@@H]2CBr)c(Br)c1 382689936 LMCSPNFGGQKIPV-FUHWJXTLSA-N 467.201 5.505 50 10 JKGE O=C(OCc1ccccc1)N1C[C@H](c2ccc(F)c(Cl)c2)[C@@H](CI)C1 382691116 IGJSNTBEDFXDBK-JKSUJKDBSA-N 473.713 5.266 50 10 JKGE C[C@H](Cl)c1nc2ccc(F)c(Br)c2n1[C@@H]1C[C@@H](C)N(Cc2ccccc2)C1 689798533 LWPIBDKNKIVSEL-IJEWVQPXSA-N 450.783 6.073 50 10 JKGE Fc1cccc2nc(CCCl)n(CC3(N(Cc4ccccc4)Cc4ccccc4)COC3)c12 705782824 KJAQCXMYKZXLOY-UHFFFAOYSA-N 463.984 5.428 50 10 JKGE C[C@]12CN(Cc3ccccc3)C[C@]1(C)CN(c1ccc(CBr)cc1Br)C2 705953096 FMRFLBVKNUZSNR-FGZHOGPDSA-N 478.272 5.692 50 10 JKGE Brc1cc([C@@H](Br)c2ccc(C3CC3)s2)c(Br)s1 707976442 PXESZCTYPKMZIY-LLVKDONJSA-N 457.050 6.696 50 10 JKGE CCOc1cc(/C=C(/C#N)C(=O)Nc2ccccc2Cl)ccc1OCc1ccccc1F 1083955975 IZDMUYKATCTTGF-UYRXBGFRSA-N 450.897 6.002 50 10 JKGE O=C(NN=Cc1cccc(OCc2ccccc2Cl)c1)c1ccc(OCc2ccccc2)cc1 1084071491 FCUQWPNTPMNOHY-UHFFFAOYSA-N 470.956 6.262 50 10 JKGE Cc1ccc(Cl)cc1NC(=O)/C(C#N)=C\c1ccc(OCc2ccc(Br)cc2)cc1 1084090508 YTJPJIPLCYLCHY-UNOMPAQXSA-N 481.777 6.536 50 10 JKGE CCn1c2ccccc2c2cc(C=NNC(=O)COc3ccc(C)cc3Br)ccc21 1084138219 XJNFDNJBIHIABD-UHFFFAOYSA-N 464.363 5.414 50 10 JKGE COc1ccc(NC(=O)CCCCCCCC[C@H](Br)CC(F)(F)Cl)cc1 1615949086 KCVFSPCIDRWQKU-HNNXBMFYSA-N 454.783 6.740 50 10 JKGE CCOC(=O)C1=C(N=P(c2ccccc2)(c2ccccc2)c2ccccc2)OC(C)(C)CC(C#N)=C1 1616045867 JZUNTPMUQJTYDW-UHFFFAOYSA-N 496.547 5.588 50 10 JKGE Cc1c(C(=O)Nc2ccc(Cl)c(Cl)c2)oc2c1C(=NNC(=O)c1ccccc1F)CCC2 1772743664 FUWSRKVAFSFLQW-UHFFFAOYSA-N 474.319 5.757 50 10 JKGE CCOc1cc(C=NNC(=O)CSc2nc3ccccc3[nH]2)ccc1OCc1ccccc1C 1772760361 GDWXDYPMIAUWTM-UHFFFAOYSA-N 474.586 5.091 50 10 JKGE N#CSc1ccc(NC(=O)Oc2ccc(CNC(=O)C34CC5CC(CC(C5)C3)C4)cc2)cc1 1858906315 QJSPCRSOIWKJFL-UHFFFAOYSA-N 461.587 5.703 50 10 JKGE COc1ccc(-c2nn(-c3ccc(OC)cc3)c3c2[C@@H](c2ccc(Cl)cc2)C(C#N)=C(N)O3)cc1 1865684085 SKVDAERNEVDPFO-QHCPKHFHSA-N 484.943 5.428 50 10 JKGE CCCc1nn(-c2ccc(OC)cc2)c2c1[C@@H](c1c(Cl)cccc1Cl)C(C#N)=C(N)O2 1865686631 YFPCLOLPFBLZKK-LJQANCHMSA-N 455.345 5.358 50 10 JKGE CCCCCOc1ccc([C@@H]2C(C#N)=C(N)Oc3c2c(C(F)(F)F)nn3CC(C)C)cc1OCC 1865691631 XABIKLIQKWUBFY-HXUWFJFHSA-N 492.542 5.744 50 10 JKGE CCOc1ccc([C@H]2C(C#N)=C(N)Oc3c2c(C(F)(F)F)nn3-c2ccccc2Cl)cc1OC 1865695885 VBNRBAODYKRTEC-SFHVURJKSA-N 490.869 5.170 50 10 JKGE CCCn1nc(-c2ccc(OC)cc2)c2c1OC(N)=C(C#N)[C@@H]2c1ccc(N(CC)CC)cc1 1865701777 FCQYUUNKIBPJTJ-QHCPKHFHSA-N 457.578 5.033 50 10 JKGE N#CC1=C(N)Oc2c(c(-c3ccccc3)nn2-c2cccc3ccccc23)[C@H]1c1cccc([N+](=O)[O-])c1 1865706377 VGEHVWGMCGKSGR-VWLOTQADSA-N 485.503 5.819 50 10 JKGE COc1ccc(OC)c(/C(C)=N/NC(=O)c2ccc(-c3ccc(Cl)c(Cl)c3)nc2C)c1 1865763586 SKUQJGLZVSIZCJ-MZJWZYIUSA-N 458.345 5.535 50 10 JKGE C[C@H](c1ccccc1)N1C[C@H](/C(O)=C(\C#N)c2nc(-c3ccc(Br)cc3)cs2)CC1=O 1872746354 DFCCVNWHMIOIAP-AXHJZAJQSA-N 494.414 5.975 50 10 JKGE COc1cc(/C=C/C(O)=C(\C#N)c2nc(-c3ccc(C(C)C)cc3)cs2)cc(OC)c1OC 1872752382 ZXDMDUFTRRIZNT-MHFPYWRNSA-N 462.571 6.465 50 10 JKGE CCOc1cc(/C=C(\C#N)c2nc(-c3ccc([N+](=O)[O-])cc3)cs2)ccc1OCc1ccc(C)cc1 1872784704 WXIMODNTNQUKLW-OEAKJJBVSA-N 497.576 7.069 50 10 JKGE CCCOc1ccc(-c2csc(/C(C#N)=C/c3cn(C)c4ccccc34)n2)cc1OCCC 1872790034 GFAPSTGKIMBZBR-XSFVSMFZSA-N 457.599 6.944 50 10 JKGE N#C/C(=C(O)\C=C\c1ccc(OCc2ccccc2)cc1)c1nc(-c2cccc([N+](=O)[O-])c2)cs1 1873940840 KAPXFHSRXLDRMG-LMPIXIHPSA-N 481.533 6.803 50 10 JKGE Cl[C@@H](CCc1ccc(I)c(Br)c1)COCc1ccccc1 1893241251 GVWNBPHEAXWSGU-HNNXBMFYSA-N 479.583 5.811 50 10 JKGE Clc1cc([C@H](Cl)c2cc(I)sn2)sc1Br 1909889450 QKSATALGBOHKDG-SSDOTTSWSA-N 454.967 5.553 50 10 JKGE CCC[C@@H](CC(C)C)[C@H](Br)c1sc(Br)c(C)c1Br 1922893023 CWEXNGVRSVGFKM-JQWIXIFHSA-N 461.101 7.480 50 10 JKGE Clc1ccc(Br)c([C@@H](Cl)c2sc(Br)cc2Br)c1 1922941161 NGCPCBYRSWSADW-SNVBAGLBSA-N 479.846 7.017 50 10 JKGE C[C@H](c1ccncc1Br)[C@H](Cl)c1cc(Br)cc(Br)c1 1924042991 HAKLAKUEZGCNMH-CLAHSXSESA-N 468.414 6.453 50 10 JKGE Cl[C@@H](c1ccsc1)c1c(Br)sc(Br)c1Br 1924576139 KJJLZPGXLCAJNZ-ZETCQYMHSA-N 451.430 6.425 50 10 JKGE C[C@H]1C[C@H](N(C)c2cccc(Br)c2CBr)CN1Cc1ccccc1 1949206328 ZVHQWFZOTHGZFE-RDJZCZTQSA-N 452.234 5.443 50 10 JKGE C[C@@H]1C[C@@H]1CC[C@@H](Br)c1c(Br)sc(Br)c1Cl 1989526056 AABLHMOHTNJKLF-DSYKOEDSSA-N 451.449 6.799 50 10 JKGE Cn1cc([C@@H](Br)c2cc(Br)ccc2Br)c(Br)n1 2005275427 ZTCYZHXWSXLWOF-JTQLQIEISA-N 487.815 5.192 50 10 JKGE COc1sc([C@@H](Br)c2ccc(C)c(Br)c2)cc1Br 2034628032 BFBWNPJNGKOGNS-LBPRGKRZSA-N 455.009 6.074 50 10 JKGE N#CC(C(=O)CSC1=NC(=Cc2ccccc2)C(=O)N1c1ccc(F)cc1)=C1Nc2ccccc2N1 2040429137 QOUSDQVEISZZGW-UHFFFAOYSA-N 495.539 5.144 50 10 JKGE Cc1c(Br)sc([C@@H](Br)[C@@H]2[C@H]3CCCCC[C@H]32)c1Br 2048336297 DWBGHWQGZBIOFY-XNDJQWLSSA-N 457.069 6.844 50 10 JKGE Clc1c(Br)sc(Br)c1[C@H](Br)[C@@H]1[C@H]2CCCCC[C@H]21 2048339826 KJXGWASPFITZML-CHIQAWFVSA-N 477.487 7.189 50 10 JKGE Cc1c([C@@H](Cl)c2cc(Br)ccc2Br)nn(C)c1Br 2049258188 LMWYUUVXKVMKHI-JTQLQIEISA-N 457.391 5.344 50 10 JKGE C[C@@]12CC[C@@]([C@H](Br)c3c(Br)sc(Br)c3Cl)(CO1)C2 2058138378 DBHXXMXICHQGKW-ZHAHWJHGSA-N 479.459 6.322 50 10 JKGE CCOc1ccc(C(F)(F)F)cc1-n1nc(CBr)c(Br)c1C(F)(F)F 2079230439 QAPBFXFEPTWVSQ-UHFFFAOYSA-N 496.043 5.966 50 10 JKGE Cc1cc(Cl)c(Br)cc1[C@@H](Br)c1ccc(Br)cc1 2082376611 JMFOOFQMXDWECN-AWEZNQCLSA-N 453.399 6.658 50 10 JKGE COc1c(Br)cc(C)cc1[C@H](Cl)c1sccc1I 2083460522 VFMSXHGEBRVQRE-NSHDSACASA-N 457.558 5.760 50 10 JKGE COc1c(Br)cc(C)cc1[C@@H](Br)c1csnc1Br 2083463823 GTJLJTGAYFCOSV-SNVBAGLBSA-N 455.997 5.469 50 10 JKGE CC(C)(C)OC(=O)N1CCC[C@@](CBr)(OCc2cc(F)ccc2Br)C1 2085377797 GZLKJZCFUBVNJJ-SFHVURJKSA-N 481.200 5.269 50 10 JKGE CC(C)CN1C[C@H](Cc2cccc(Br)c2Br)[C@@H](Br)C1 2100720794 FKIUUEQXLJKVLO-JSGCOSHPSA-N 454.044 5.105 50 10 JKGE Clc1cccc(Cl)c1C[C@H](Cl)c1cc(I)ccc1Br 2104782411 MJMLFJHXJZSMAA-AWEZNQCLSA-N 490.393 6.883 50 10 JKGE CN(C(=O)c1cc(Br)c(Br)s1)C1(CBr)CC(C)(C)C1 2108309048 PVBMFUWWGDSWOU-UHFFFAOYSA-N 474.056 5.299 50 10 JKGE Brc1cc(Br)c([C@H](Br)[C@@H]2C[C@@H]3CCCCCC[C@@H]32)s1 2109834221 NVTPGBABSJCNHU-KZWBYHQPSA-N 471.096 7.316 50 10 JKGE COc1cc(Br)c(C)cc1[C@@H](Br)c1nc(C)sc1Br 2113189419 KNHZSJYZAHUEMN-LLVKDONJSA-N 470.024 5.778 50 10 JKGE CO[C@H]1C[C@@H]([C@H](Cl)c2c(Br)sc(Br)c2Br)C[C@H]1OC 2118284683 CSBKHDOZLWIBPG-XIVUIJJLSA-N 497.474 5.756 50 10 JKGE COC[C@@H]1CC[C@H]([C@H](Br)c2ccc(Br)c(C)c2Br)C1 2138852768 OPNDCVMKXYIKLD-ZETOZRRWSA-N 455.028 6.019 50 10 JKGE CCC[C@@H]1CN(Cc2c(Br)cccc2Br)C[C@@H]1CBr 2140787972 PAXRRCBZCFRZMY-NEPJUHHUSA-N 454.044 5.455 50 10 JKGE Clc1cc(CN2CCC[C@@H](CCBr)CC2)ccc1I 2142950093 OSISLZXLBLUQNT-LBPRGKRZSA-N 456.593 5.332 50 10 JKGE Cn1cc(CC(CBr)(CBr)c2cccc(Br)c2)c(Cl)n1 2168231153 HIQRDXWIUUSMJE-UHFFFAOYSA-N 485.445 5.106 50 10 JKGE Cc1cc([C@@H](Br)c2cc(Br)cc(C(F)(F)F)c2)sc1Br 2172413227 VJKMWKCTQKFEDW-NSHDSACASA-N 492.980 7.085 50 10 JKGE CC(C)(C)NCc1cc(Br)cc(Br)c1OC[C@@H]1C[C@H]1Br 2196908712 ZISOUDXZZAZKBH-CMPLNLGQSA-N 470.043 5.262 50 10 JKGE Cc1cc(Br)c(C)c([C@@H](Br)[C@H]2CCCCC23CC3)c1Br 2201075767 DEXQMGDWPUBXTK-WBMJQRKESA-N 465.067 7.235 50 10 JKGE COc1c(Cl)cc(Br)cc1[C@H](Br)c1ccc(F)cc1Br 2203004901 WQEYMNRDEAUFSK-CYBMUJFWSA-N 487.388 6.497 50 10 JKGE Clc1cc(Br)c([C@H](Br)C2CC(Br)C2)c(Cl)c1Cl 2212845291 ZJUOAFRLJWSDAK-PACJAATDSA-N 486.256 7.019 50 10 JKGE Fc1cc(Br)c(Br)cc1[C@H](Br)c1cscc1Cl 2213490407 RHNOTGTZEWGEEU-NSHDSACASA-N 463.391 6.550 50 10 JKGE CC(F)(F)CCC[C@@H](Br)c1c(Br)cc(Cl)c(Cl)c1Cl 2224317581 PCSPIFOCEYGTHB-ZCFIWIBFSA-N 459.383 7.671 50 10 JKGE Fc1cc(Br)ccc1[C@H](Cl)c1cc(Br)c(Br)cc1F 2225634425 ORQTVJYABXISPU-ZDUSSCGKSA-N 475.352 6.581 50 10 JKGE Cc1cc(Br)c([C@@H](Br)[C@@H]2C[C@H]3CC[C@H]2C3)c(C)c1Br 2227350591 XNLXNAGJEJSBHH-OVZMXSCWSA-N 451.040 6.701 50 10 JKGE COc1ccsc1[C@@H](Br)c1c(Br)cc(C)c(Br)c1C 2227351103 JTJULPWPTXQPNW-ZDUSSCGKSA-N 469.036 6.383 50 10 JKGE Cc1cc(Br)c([C@H](Br)[C@@H]2CC[C@H]3C[C@H]2CO3)c(C)c1Br 2235615501 RYQRKHWWAJFUJX-PVTKRXDGSA-N 467.039 6.080 50 10 JKGE C[C@@H](Cl)c1nc2ccccc2n1-c1ccc(Br)cc1I 2240289975 XTVRMHCTPUCZLE-SECBINFHSA-N 461.528 5.692 50 10 JKGE COc1ccc([C@@H](Br)c2cc(Br)c(Cl)cc2F)c(Br)c1 2240811240 YVNAHSGFOYKXES-CQSZACIVSA-N 487.388 6.497 50 10 JKGE Cc1sc([C@H](Br)c2ccccc2I)c(Br)c1C 2246414907 YVTTVBNLOXDSRD-GFCCVEGCSA-N 486.010 6.216 50 10 JKGE Cl[C@@H](c1c(Br)sc(Br)c1Br)C12COCC(C1)C2 2250925959 JPJRMVQYQHIYHS-QHCBANEHSA-N 465.432 5.742 50 10 JKGE COC1([C@@H](Br)c2sc(Br)c(C)c2Br)CC(CF)C1 2255037153 GRSHTZUZEXCNSH-HLIOBJQSSA-N 465.020 5.782 50 10 JKGE COc1ccc([C@@H](Br)c2ccsc2Br)c(Br)c1Cl 2256328916 GKOCOPPBYNULLM-SECBINFHSA-N 475.427 6.419 50 10 JKGE Cc1cc([C@@H](Br)Cc2cc(Br)cc(Br)c2)sc1C 2263448232 KJECSJZUHSALEU-ZDUSSCGKSA-N 453.037 6.569 50 10 JKGE Cn1ncc(Br)c1[C@@H](Cl)Cc1cc(Br)cc(Br)c1 2263527245 VBHUJQVXQOJOLB-NSHDSACASA-N 457.391 5.230 50 10 JKGE Clc1cc(-n2c(Cl)nc(Cl)c2CBr)c(Cl)cc1Br 2263537278 IGDYWETWRXAHJX-UHFFFAOYSA-N 453.776 6.143 50 10 JKGE Cn1nc([C@H](Br)c2cc3sc(Br)cc3s2)cc1Br 2263634495 QBIOPMSGKGGLBL-NSHDSACASA-N 471.037 5.706 50 10 JKGE CCN(C[C@](C)(CI)OCC[C@H](C)CCCC(C)C)C(=O)OC(C)(C)C 2269406744 QBMHAHMCMIINQA-NQIIRXRSSA-N 483.475 6.306 50 10 JKGE COc1ccc([C@H](Br)c2cccc(C)c2Cl)cc1I 2269538907 CHNCCUHXXURCAU-AWEZNQCLSA-N 451.529 5.746 50 10 JKGE C=CC[C@]1(CBr)CCCN1Cc1cc(Br)ccc1Br 2272129200 SFGNHGRVQPXISW-OAHLLOKOSA-N 452.028 5.517 50 10 JKGE Brc1cc(Br)cc(C[C@H](Br)[C@H]2CC[C@H]3C[C@H]2CO3)c1 2277948313 LOEKTMMKDQRQTK-HJPIBITLSA-N 453.012 5.333 50 10 JKGE Cc1ccc([C@@H](Cl)c2cc3sc(Br)cc3s2)cc1I 2278008110 OFRKDQNSHWQRHX-CQSZACIVSA-N 483.621 6.967 50 10 JKGE Cc1cccc([C@H](Br)c2c(F)cc(Br)c(F)c2Br)c1Cl 2288348164 CCKGBTNQAIWNQZ-NSHDSACASA-N 489.379 6.936 50 10 JKGE Cc1cc(C)cc([C@H](Br)c2c(F)cc(Br)c(F)c2Br)c1 2288373480 JJIGUCRUVGXSFO-ZDUSSCGKSA-N 468.961 6.591 50 10 JKGE N#CC(=Cc1ccccc1Cl)C(=O)Nc1ncc(Cc2ccc(Br)cc2)s1 2293039215 PYCBKRBIISYLLU-UHFFFAOYSA-N 458.768 5.695 50 10 JKGE Cc1cc(F)c([C@H](Br)Cc2cc(Br)cc(Br)c2)cc1F 2295273844 COOQQZYFCIHSHA-CYBMUJFWSA-N 468.961 6.477 50 10 JKGE CCCOc1ccc(-c2nn(-c3ccccc3)cc2C=C(C#N)C(=O)NCc2ccccc2)c(C)c1 2296705973 DRSBDCWULGYXGE-UHFFFAOYSA-N 476.580 5.860 50 10 JKGE N#CC1=C(N)OC2=C(CCCC2=Cc2c(Cl)cccc2Cl)[C@H]1c1c(Cl)cccc1Cl 2297109891 VADFOVBANLKNIZ-HXUWFJFHSA-N 478.206 7.629 50 10 JKGE CCCCCCCCOc1ccc(C=C(C#N)c2nc(-c3ccc(Cl)cc3)cs2)cc1 2297213676 ABVVQSUDLXDOAW-UHFFFAOYSA-N 451.035 8.267 50 10 JKGE FC(F)(CC1CC1)[C@@H](Br)c1cc(Br)ccc1OCc1ccccc1 2299505788 ZSGCEPGQLSPCFJ-SFHVURJKSA-N 460.156 6.900 50 10 JKGE Brc1cc(OCc2ccccc2)ccc1[C@H](Br)[C@H]1[C@H]2OCCC[C@@H]21 2299532326 FYAFMWGLUOVBOT-GTAWCEEGSA-N 452.186 5.889 50 10 JKGE N#CC(=Cc1cc(Br)c(O)c(Br)c1)C(=O)Nc1cccc(Cl)c1Cl 2313570931 JKBNMUVDMSPYPS-UHFFFAOYSA-N 490.966 5.770 50 10 JKGE CCOC(=O)COc1c(Cl)cc(C=C(C#N)C(=O)Nc2cccc(Cl)c2Cl)cc1OCC 2313571578 ZNMPDJPVPYDISA-UHFFFAOYSA-N 497.762 5.533 50 10 JKGE CCOC(=O)c1c(NC(=O)C(C#N)=Cc2cn(-c3ccccc3)nc2-c2ccccc2)sc(C)c1C 2314480894 TUJQQTNVTRDDKO-UHFFFAOYSA-N 496.592 5.940 50 10 JKGE N#CC(=Cc1ccc(-c2cccc([N+](=O)[O-])c2)o1)c1nc(O)c2cc(Br)ccc2n1 2314489685 VKEFKFNUDWBOFR-UHFFFAOYSA-N 463.247 5.330 50 10 JKGE CC1(C)[C@@H]2CC([C@@H](Br)c3cc(Br)ccc3OCc3ccccc3)C[C@H]21 2314497844 ODZKZOWFMFWJQE-SFHLNBCPSA-N 464.241 7.146 50 10 JKGE CCc1ccc(N2C(=O)[C@@H](Cc3ccccc3)SC2=C(C#N)C(=O)Nc2ccccc2)cc1 2314593801 TYMQDCIMMJKTKP-XMMPIXPASA-N 453.567 5.314 50 10 JKGE COc1ccc(C=CC(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@@H]3c2ccc(SC)cc2)cc1 2314634379 KDWAQFHPNALZEA-AREMUKBSSA-N 470.550 5.254 50 10 JKGE FCC1([C@@H](Br)c2c(Cl)cc(Br)c(F)c2Br)CCC1 2315441243 FDPFCDKWCRPQKE-NSHDSACASA-N 467.373 6.580 50 10 JKGE COc1c(Br)cc(C)cc1[C@@H](Br)c1cnsc1Br 2315620106 QZSFADSBXIAYOL-SNVBAGLBSA-N 455.997 5.469 50 10 JKGE Cc1nc(-c2ccc(Cl)c(Cl)c2)ccc1C(=O)NN=Cc1cccc(OCc2ccccc2)c1 2321250738 JQMOLSZJJUZUCH-UHFFFAOYSA-N 490.390 6.707 50 10 JKGE CC1(C)CN(Cc2ccc(I)c(Br)c2)CC[C@H]1Br 2325211610 KINXLQZQRFHFKI-CYBMUJFWSA-N 487.017 5.049 50 10 JKGE CSCC[C@H](NC(=O)OC(C)(C)C)C(=O)NN=Cc1ccc(OCc2cccc(Cl)c2)cc1 2328796731 CFHUILISTCMVNC-NRFANRHFSA-N 492.041 5.016 50 10 JKGE C[C@@H](Oc1ccc(Cl)cc1Cl)C(O)=C(C#N)c1nc(-c2ccccc2Cl)cs1 2331271689 ZTRFJHGWMVHBJL-LLVKDONJSA-N 451.762 7.030 50 10 JKGE CCOc1ccc(-c2csc(C(C#N)=C(O)c3ccc(N4CCCC4)c([N+](=O)[O-])c3)n2)cc1 2331305748 PNVYCQSDBLILRC-UHFFFAOYSA-N 462.531 5.667 50 10 JKGE CCOc1ccc(-c2csc(C(C#N)=C(O)[C@H](C)Oc3ccc(Cl)cc3Cl)n2)cc1 2331305762 RHDRZZTVBQZZTC-ZDUSSCGKSA-N 461.370 6.776 50 10 JKGE COc1ccc(OCC(O)=C(C#N)c2nc(-c3ccc4c(c3)OCCO4)cs2)c(C(C)(C)C)c1 2331330683 ABFAUTSYPXEVQZ-UHFFFAOYSA-N 478.570 5.759 50 10 JKGE N#CC(=C(O)CCCOc1ccccc1Cl)c1nc(-c2ccc(Oc3ccccc3)cc2)cs1 2331359028 SHIKSFWHRWCBOC-UHFFFAOYSA-N 488.996 7.908 50 10 JKGE COc1c(C)cc(Cl)cc1-c1csc(C(C#N)=C(O)C=Cc2ccc(C(C)(C)C)cc2)n1 2331391961 ZOWZBFRRHBFMFF-UHFFFAOYSA-N 465.018 7.584 50 10 JKGE COc1c(Cl)cc(-c2csc(C(C#N)=C(O)c3ccc(F)c(F)c3F)n2)cc1Cl 2331397968 NTEUKWGDSRADRU-UHFFFAOYSA-N 457.260 6.493 50 10 JKGE COc1ccc(C=C(C(O)=C(C#N)c2nc(-c3cc(C)c(OC)cc3C)cs2)c2ccccc2)cc1 2331402863 ZSJLMTDAFVDQOX-UHFFFAOYSA-N 494.616 7.478 50 10 JKGE COc1ccccc1-c1csc(C(C#N)=Cc2ccccc2OCc2ccccc2Cl)n1 2331436063 HWFLVFSBAAVEPT-UHFFFAOYSA-N 458.970 7.115 50 10 JKGE Cc1c(Cl)sc(Cl)c1[C@H](Br)c1cc(F)c(Br)cc1F 2336085911 IJCAYLCGDHIIIC-SNVBAGLBSA-N 450.957 6.888 50 10 JKGE COc1c(Br)cc(C)c([C@@H](Cl)c2sccc2Br)c1Br 2339639691 PFAYSXMSBWRXCU-LLVKDONJSA-N 489.454 6.681 50 10 JKGE COc1c(Br)cc(C)c([C@H](Br)c2csnc2C)c1Br 2339657519 YUEGRTBPEPEJSM-LLVKDONJSA-N 470.024 5.778 50 10 JKGE CC1(C)C[C@H](CBr)CN(Cc2ccc(Cl)cc2I)C1 2341010730 INKDRSUAZUTOHW-LLVKDONJSA-N 456.593 5.188 50 10 JKGE Clc1cc(Cl)cc(CC[C@@H](Br)c2scc(Br)c2Cl)c1 2341190622 RCKQGDNVDVZDKF-SNVBAGLBSA-N 463.449 7.540 50 10 JKGE CCC[C@@H]1CC[C@@H](Br)[C@@H](Cc2cc(I)ccc2Cl)C1 2352426405 UAXSDZOCMBSWJY-LALPHHSUSA-N 455.605 6.467 50 10 JKGE Fc1c(Br)cc(Cl)c([C@@H](Br)C2CCC(F)(F)CC2)c1Br 2362228749 PEXKCIKAJCPAAK-JTQLQIEISA-N 499.390 7.266 50 10 JKGE FC(F)C1(CBr)CCN(Cc2ccc(Cl)c(I)c2)CC1 2362375733 MRCHQHGOAJXGOF-UHFFFAOYSA-N 478.546 5.187 50 10 JKGE Cc1cc(Br)c([C@@H](Br)[C@H]2CO[C@]3(C)C[C@H]2C3)c(C)c1Br 2362915968 KERJEXXNVYHGFY-KUDNYVPYSA-N 467.039 6.080 50 10 JKGE Cc1cc(Br)c(F)c(Br)c1[C@H](Br)[C@@H]1[C@H]2[C@H]3CC[C@@H](C3)[C@H]21 2365214890 FICPDNVJRYEANT-XVDPWJSNSA-N 467.014 6.387 50 10 JKGE Fc1cc(Cl)c([C@H](Br)c2cc3sc(Br)cc3s2)c(Cl)c1 2366406289 BSUBOPATWWZMAU-CYBMUJFWSA-N 475.029 7.656 50 10 JKGE F[C@]12CCC[C@@]1(CBr)CN(Cc1ccc(Cl)cc1I)C2 2366701485 JBVXWBLBSYOZNM-CABCVRRESA-N 472.567 5.034 50 10 JKGE Cl[C@@H]1CCCCCCCC[C@H]1Cc1ccc(I)c(Br)c1 2377255581 RACNXVLSHSSZIX-GOEBONIOSA-N 469.632 6.954 50 10 JKGE ClC[C@@H]1CCC2(CCC2)CN1Cc1ccc(I)c(Br)c1 2377343598 MRYPZNHXRBIULS-ZDUSSCGKSA-N 468.604 5.427 50 10 JKGE FC(F)(F)[C@H]1[C@H](Br)CCCN1Cc1cc(I)ccc1Cl 2380514607 FJGQWDDLTMRAFN-ZYHUDNBSSA-N 482.509 5.235 50 10 JKGE O=C(NC1CCCCC1)[C@H](c1ccc(Cl)cc1)N(Cc1ccc(Cl)cc1)C(=O)CCl 3035251 XCXWZTDYKNDBPN-QFIPXVFZSA-N 467.824 5.751 50 10 JKGE CCc1ccc([C@H]2C(C#N)=C(N)N(c3ccccc3Cl)C3=C2C(=O)C[C@@H](c2ccccc2)C3)s1 9981989 FDUSWSMLSIIDSM-HFJWLAOPSA-N 486.040 6.662 50 10 JKGE CC[C@H](Oc1ccc(-c2ccccc2)cc1)C(=O)NNC(=O)c1ccc(-c2ccccc2)cc1 14768351 JHNLLWOLJPDDHT-MHZLTWQESA-N 450.538 5.639 50 10 JKGE O=C(Cc1c[nH]c2ccccc12)N/N=C/c1cc(OCc2ccc(F)cc2)ccc1Br 20533800 VWFXIXKATPPTIF-CCVNUDIWSA-N 480.337 5.341 50 10 JKGE CCOc1cc(/C=N/NC(=O)[C@H]2C[C@@H]2c2ccc(C(C)(C)C)cc2)ccc1OC(=O)c1ccco1 33386234 YFUPGVWZDDSBPC-PJFZHMBRSA-N 474.557 5.449 50 10 JKGE COc1cc(/C=C(/C#N)c2nc(-c3ccc(Oc4ccccc4)cc3)cs2)cc(OC)c1OC 33762056 BHZIRDBITFSHGU-MOSHPQCFSA-N 470.550 6.692 50 10 JKGE CSc1ccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)COc4cc(C)cc(C)c4)ccc32)cc1 38682493 LNQJAGSPTBGURI-AREMUKBSSA-N 472.566 5.228 50 10 JKGE CC(C)CCOc1cccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4cccc(Cl)c4)ccc32)c1 38684709 YYRHXYLHIRBQPL-AREMUKBSSA-N 488.971 6.202 50 10 JKGE CCCCC1CCC(C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@@H]3c2cccc(OC)c2)CC1 38687346 NHJXKDFJZADPDH-LJLLCPEMSA-N 460.574 5.815 50 10 JKGE Cc1cc(Oc2nc3c(C)cccn3c(=O)c2/C=C(/C#N)C(=O)Nc2ccccc2C)ccc1Cl 39858753 IYDXILNMQDSVIE-RGEXLXHISA-N 484.943 5.611 50 10 JKGE Cc1ccc2[nH]c(-c3ccc4ccccc4n3)c(CCCC(=O)NNC(=O)COc3ccccc3)c2c1 39867320 IVCHNOVWBPDJGY-UHFFFAOYSA-N 492.579 5.241 50 10 JKGE COc1ccccc1C(=O)N/N=C1\CCCc2oc(C(=O)Nc3ccc(Br)cc3)c(C)c21 40813208 GYRPKTIOTQZVRL-OVVQPSECSA-N 496.361 5.082 50 10 JKGE COC(=O)c1cccc(Cn2cc(/C=C(\C#N)C(=O)Nc3ccc(C)c(C)c3)c3ccccc32)c1 59255426 QKHKDWDSGVKDNZ-HZHRSRAPSA-N 463.537 5.639 50 10 JKGE O=C(O)c1ccc(COc2ccc(/C=N/NC(=O)c3cc4cc(Br)ccc4o3)cc2)cc1 59303876 HWTREJSVHYJEOI-LGJNPRDNSA-N 493.313 5.236 50 10 JKGE CCOc1cc(/C=N/NC(=O)c2cc3ccccc3o2)ccc1OCc1ccc(Br)cc1 59680175 DUZIEFVMGJZLRI-JFLMPSFJSA-N 493.357 5.937 50 10 JKGE COc1cc(Br)c([C@H](Br)c2ccc(Br)o2)cc1OC 109860128 YSQCTQUYPXJYEF-ZDUSSCGKSA-N 454.940 5.306 50 10 JKGE Brc1cc([C@H](Br)C2(c3ccccc3)CC2)c(Br)s1 109870179 SLMBDSHIAZFYIE-LBPRGKRZSA-N 451.021 6.441 50 10 JKGE COc1ccc([C@H](Br)c2cc(Br)sc2Br)cc1OC 109870207 ABKNAUQPNDRHLD-LBPRGKRZSA-N 471.008 5.775 50 10 JKGE Brc1cc([C@H](Br)Cc2ccc3ccccc3c2)sc1Br 128585727 XNHMRSJGJHZLDA-CYBMUJFWSA-N 475.043 7.105 50 10 JKGE CCOc1ccc([C@@H](Br)c2c(F)cccc2Br)c(Br)c1 161220844 KWDZIOSIANGCOW-OAHLLOKOSA-N 466.970 6.234 50 10 JKGE Cc1ccccc1P(c1ccccc1C)[C@@H](C)[C@@H]1CCC[C@H]1P(C(C)(C)C)C(C)(C)C 199828995 KJLGULUIPNNIDJ-NLJOTIRTSA-N 454.619 8.372 50 10 JKGE CCOc1cc(/C=C(/C#N)C(=O)NC2CCCCC2)ccc1OCc1ccc(Cl)cc1Cl 208531238 FMSOAVRAGMZVLS-UNOMPAQXSA-N 473.400 6.327 50 10 JKGE CC[C@H](N/C=C(/C#N)C(=O)N[C@H](CC)c1ccc2c(c1)CCCC2)c1ccc2c(c1)CCCC2 217189509 HDNBQYVFMLDCJF-IYCNNAGZSA-N 455.646 6.160 50 10 JKGE CCc1ccc([C@H](Br)c2ccc(I)c(Cl)c2)cc1CC 232344998 KDSVMDMNFRMWAC-KRWDZBQOSA-N 463.584 6.554 50 10 JKGE O=C(N[C@@H]1CCCCC[C@@H]1Br)c1cc(Br)cc(Br)c1 232457184 QYMNHAGWGYRRHB-QWHCGFSZSA-N 454.000 5.038 50 10 JKGE COCCc1ccc([C@H](Br)c2ccc(Br)cc2Br)cc1 234701970 FYKPOHIHEQOHPI-INIZCTEOSA-N 463.007 5.885 50 10 JKGE Cc1sc([C@H](Cl)c2cc(Cl)ccc2I)cc1Br 235974800 QORBRFFVEPNYDP-GFCCVEGCSA-N 461.977 6.405 50 10 JKGE COc1ccc(C=NNC(=O)c2ccc(-n3c(C)ccc3C)cc2)cc1CSc1ccccn1 254369209 SQIHKQXQPXJGMH-UHFFFAOYSA-N 470.598 5.554 50 10 JKGE C[C@]12CCCC[C@@H]1[C@@H]2C(=O)NN=Cc1ccc(OCc2ccc([N+](=O)[O-])cc2)c(Br)c1 254714703 BMNIGCHLCRTFRF-AAIMPIBUSA-N 486.366 5.213 50 10 JKGE CCCOc1ccc(-c2nn(-c3ccccc3)cc2C=NNC(=O)c2cc3ccccc3o2)cc1 254740185 MZTXCRMRVYCSPM-UHFFFAOYSA-N 464.525 5.838 50 10 JKGE Cc1cc(Br)c([C@@H](Br)c2cc(F)ccc2Cl)cc1Br 311687588 RUEGKGZXWHSFEJ-CQSZACIVSA-N 471.389 6.797 50 10 JKGE Fc1ccc(F)c(COc2c(Br)cc(Br)cc2CBr)c1 312523802 UPEAEXQERKMHQM-UHFFFAOYSA-N 470.933 5.964 50 10 JKGE COc1ccc([C@H](Br)c2ccccc2OCc2ccccc2)c(OC)c1Br 312652957 JNPKIZKURPYRIT-HXUWFJFHSA-N 492.207 6.530 50 10 JKGE Fc1cccc(Br)c1[C@H](Cl)c1scc(C(F)(F)F)c1Br 380353564 LQHCKKKKNONVCH-JTQLQIEISA-N 452.492 6.759 50 10 JKGE Fc1cc(F)c(F)c([C@H](Br)c2cc(Br)ccc2Br)c1F 396115726 XBFUDDLLNLOMRT-LLVKDONJSA-N 476.887 6.252 50 10 JKGE CCOc1ccc([C@H](Br)c2cc(Br)oc2C)cc1Br 396499276 QDQYDDPOWYHICI-AWEZNQCLSA-N 452.968 5.996 50 10 JKGE C[C@H](Cl)c1nc2cc(Br)c(F)cc2n1[C@@H]1C[C@H](C)N(Cc2ccccc2)C1 398212249 PVXFDAZBRRULNC-OFQRWUPVSA-N 450.783 6.073 50 10 JKGE C[C@@H]1C[C@@H](n2c(CCCl)nc3cc(I)c(F)cc32)CN1Cc1ccccc1 398227784 VMQALFFFVFARLQ-GDBMZVCRSA-N 497.783 5.397 50 10 JKGE CC[C@@H](CC(F)F)CC(CBr)(CBr)c1ccccc1Br 687835811 SJQQNQUWNNEODO-NSHDSACASA-N 477.025 6.548 50 10 JKGE Fc1ccc2nc(CCCl)n(C[C@@H]3CCCN3Cc3ccccc3)c2c1Br 689740227 CLTXMWHRNGQJFS-INIZCTEOSA-N 450.783 5.384 50 10 JKGE Cc1cccc([C@H](Br)c2sc(C)c(Br)c2C)c1Br 724928870 SKGJMIYNNWMIBN-ZDUSSCGKSA-N 453.037 6.683 50 10 JKGE O=C(NN=Cc1ccc(OCc2c(Cl)cccc2Cl)cc1)C(=O)Nc1cccc(Cl)c1 1084000380 AODTWOAEMZMWSH-UHFFFAOYSA-N 476.747 5.315 50 10 JKGE CCCCOc1ccc([C@H]2CN(C(=O)OCc3ccccc3)C[C@H]2CI)cc1 1614620357 YYIKISGXSHQELB-IFMALSPDSA-N 493.385 5.653 50 10 JKGE COc1cccc(C(=O)NN=C2CCCc3oc(C(=O)Oc4ccc(Cl)c(C)c4)c(C)c32)c1 1772746158 CNDCLFPRPGAMIR-UHFFFAOYSA-N 466.921 5.248 50 10 JKGE CC(C)CCOc1ccc(C=NNC(=O)CSc2nc(-c3ccc(Cl)cc3)cs2)cc1 1772754906 OZGAOSYPACRCHO-UHFFFAOYSA-N 474.051 6.131 50 10 JKGE CCCc1ccc(OCC(=O)NN=Cc2ccc(OCc3ccc(C)cc3)cc2)c(Br)c1 1772756258 QLEHUOOQTIALQY-UHFFFAOYSA-N 495.417 5.818 50 10 JKGE CCCc1nn(Cc2c(F)cccc2Cl)c2c1[C@H](c1cccc(OCC)c1)C(C#N)=C(N)O2 1865689732 DGKDFKSXHPPCIL-JOCHJYFZSA-N 466.944 5.293 50 10 JKGE CCCOc1ccccc1[C@H]1C(C#N)=C(N)Oc2c1c(C(F)(F)F)nn2Cc1ccccc1F 1865703120 NIKOVHMUXIPPAT-IBGZPJMESA-N 472.442 5.096 50 10 JKGE N#CC1=C(N)Oc2c(c(-c3ccccc3)nn2-c2cccc(Cl)c2)[C@@H]1c1ccc([N+](=O)[O-])cc1 1865712937 MJGNAMLWWUFJGF-OAQYLSRUSA-N 469.888 5.319 50 10 JKGE Cc1nc(-c2ccc(F)c(F)c2)ccc1C(=O)NNC(=O)CCCOc1ccc(Cl)cc1Cl 1865757082 MCQIOQRLAGPWSO-UHFFFAOYSA-N 494.325 5.262 50 10 JKGE CSCC[C@@H](NC(=O)C[C@H](c1ccccc1)C1CC1)C(=O)Nc1ccc(SC#N)cc1 1866731817 WPVMIONNRZUHLF-FGZHOGPDSA-N 453.633 5.020 50 10 JKGE CC(C)C[C@@H](C(=O)NC(C)(C)C(=O)Nc1ccc(SC#N)cc1)c1cccc(Br)c1 1867201714 HSJMIKAENUTLCD-HXUWFJFHSA-N 488.451 5.685 50 10 JKGE Cc1nc(Nc2ccc(SC#N)cc2)cc(N2CCc3c([nH]c4ccccc34)[C@@H]2C2CCCCC2)n1 1868480084 FZMYBDIGBIDLNO-LJAQVGFWSA-N 494.668 7.267 50 10 JKGE Cc1c(/C(O)=C(\C#N)c2nc(-c3ccc(C(C)C)cc3)cs2)cc([N+](=O)[O-])cc1[N+](=O)[O-] 1872752090 MZNVTAGTARSYPT-UZYVYHOESA-N 450.476 6.008 50 10 JKGE N#C/C(=C(/O)CCCCCNC(=O)c1ccccc1)c1nc(-c2c[nH]c3ccccc23)cs1 1872753422 WISQCECPHNXFIE-GFMRDNFCSA-N 456.571 6.074 50 10 JKGE CCOc1ccc(CC/C(O)=C(\C#N)c2nc(-c3cc(C)c(OC)cc3C)cs2)cc1OC 1872758023 IFUGQJWANFYDPF-XDOYNYLZSA-N 464.587 6.268 50 10 JKGE CN(C[C@H](Br)COCc1ccccc1)C(=O)c1ccccc1OCc1ccccc1 1916354933 NRVXALAPCXYVKK-QFIPXVFZSA-N 468.391 5.318 50 10 JKGE Cn1ncc([C@@H](Cl)c2c(Br)sc(Br)c2Cl)c1Br 1923038203 HUVGUTVWTTXDRB-RXMQYKEDSA-N 483.838 5.751 50 10 JKGE CC[C@@H](C)C[C@H](Br)c1c(Br)sc(Br)c1Br 1924576168 KPXHZPTVPZWEDT-RITPCOANSA-N 483.889 6.908 50 10 JKGE Brc1sc(Br)c([C@@H](Br)CC2CCCC2)c1Br 1924580568 STTGKSGJYYASNG-ZETCQYMHSA-N 495.900 7.052 50 10 JKGE Clc1sc(Br)c(Cl)c1[C@@H](Br)c1ccc2c(c1)COCC2 1925556174 SJMQQMZWMRFWTM-NSHDSACASA-N 457.014 6.374 50 10 JKGE Fc1cccc([C@@H](Cl)c2c(Cl)sc(Br)c2Cl)c1Br 1925588723 PUZIQGHZQYADRJ-MRVPVSSYSA-N 453.385 7.047 50 10 JKGE COc1ccc(OC)c([C@@H](Br)c2c(Cl)sc(Br)c2Cl)c1 1925598384 IWVCPJXZGFWYJH-SNVBAGLBSA-N 461.002 6.319 50 10 JKGE Clc1sc(Br)c(Cl)c1[C@H](Br)[C@@H]1CC[C@H]2CCCC[C@H]2C1 1925599073 LWCVWDZNJJJYRG-DTHBNOIPSA-N 461.090 7.860 50 10 JKGE Cc1csc([C@@H](Br)c2cc(Cl)c(Br)s2)c1Br 1939883913 QFYOVCKIRBLDTE-QMMMGPOBSA-N 465.457 6.781 50 10 JKGE Fc1cscc1[C@@H](Cl)c1c(Br)sc(Br)c1Br 1982837888 PTIYYAANACFCGF-SSDOTTSWSA-N 469.420 6.564 50 10 JKGE Cc1c([C@@H](Cl)c2cc(Br)sc2Br)c(Br)nn1C 2014560112 KAWLHKWHCITGRE-QMMMGPOBSA-N 463.420 5.406 50 10 JKGE CC(C)Cc1ccc([C@@H](Br)c2cc(Br)sc2Br)s1 2027128577 PFYUJSIVQXTVFG-LBPRGKRZSA-N 473.093 7.017 50 10 JKGE COc1ccc([C@@H](Br)c2csc(Br)c2Br)c(F)c1 2032958619 ICVSOHAVNKJCAP-SNVBAGLBSA-N 458.972 5.905 50 10 JKGE CCn1c2ccccc2c2cc(C=C(C#N)S(=O)(=O)c3ccc(Br)cc3)ccc21 2040837683 GEOSNYNYBPJSDG-UHFFFAOYSA-N 465.372 5.915 50 10 JKGE Cl[C@H](c1c(Br)sc(Br)c1Br)[C@@H]1CC2(CCC2)CO1 2047664266 MHZOZFFAMYKUTN-RCOVLWMOSA-N 479.459 6.275 50 10 JKGE Fc1cc(Br)c(Cl)cc1[C@H](Cl)c1cc(Br)c(Cl)s1 2052447584 AQPYDIJHQGHAIP-JTQLQIEISA-N 453.385 7.047 50 10 JKGE Cl[C@@H](c1cc(I)sn1)c1csc2c(Br)cccc12 2056488644 XMOKLWKNFHZTER-LLVKDONJSA-N 470.582 6.053 50 10 JKGE CC(C)C[C@@H](CBr)CNC(=O)c1cc(Br)sc1Br 2057120834 VCVJOXNXINNEDC-QMMMGPOBSA-N 462.045 5.060 50 10 JKGE Cc1cc(Cl)c(Br)cc1[C@H](Br)c1ccccc1OCc1ccccc1 2082378799 DDSHUHKFYLCTRL-OAQYLSRUSA-N 480.627 7.474 50 10 JKGE CC[C@H](CC(F)(F)F)[C@@H](Br)c1ccc(Br)cc1Br 2083311833 MSIKXVDDJDZHGJ-RDDDGLTNSA-N 452.934 6.626 50 10 JKGE CC(C)Cc1ccc([C@@H](Br)c2cc(Br)cc(Br)c2)s1 2087332373 KDNVNTXWMRUFLC-HNNXBMFYSA-N 467.064 6.956 50 10 JKGE CN(CCN(Cc1ccccc1)S(=O)(=O)c1ccc(OCCCCl)cc1)Cc1ccccc1 2095886111 XHWXPWJMYHQWBS-UHFFFAOYSA-N 487.065 5.017 50 10 JKGE C[C@@H]1CO[C@@H](CC(CBr)(CBr)c2ccc(Br)cc2)C1 2110066866 NZHXIFOZZYCVSR-SMDDNHRTSA-N 455.028 5.292 50 10 JKGE Cc1cc(Br)c([C@@H](Br)[C@@H]2COCCC2(F)F)cc1Br 2110385896 AKCOPEBRQXKPHV-JOYOIKCWSA-N 462.954 5.628 50 10 JKGE C[C@H](CCCCCBr)NC(=O)c1cc(Br)ccc1Br 2117892880 GCVCALVXZBZXGX-SNVBAGLBSA-N 456.016 5.285 50 10 JKGE BrC[C@@]1(Cc2cc(Br)ccc2Br)CC12CCCCC2 2118530508 FVVMUAREUYQFBM-MRXNPFEDSA-N 451.040 6.490 50 10 JKGE Cc1c(Br)sc([C@H](Br)[C@@H]2C[C@H]2C2CCCCC2)c1Br 2135274241 TZKQDBPLFIARHY-DMDPSCGWSA-N 471.096 7.234 50 10 JKGE Cc1cc(Br)c(C)c([C@@H](Br)c2nn(C)cc2Cl)c1Br 2136375699 YAQNEFWFZMPHRU-GFCCVEGCSA-N 471.418 5.700 50 10 JKGE Cc1cc(Br)c(C)c([C@@H](Br)[C@@]2(C)CCCCO2)c1Br 2136383557 ZBIRAAWGMUXDAB-HUUCEWRRSA-N 455.028 6.224 50 10 JKGE COc1cc(Cl)c([C@@H](Br)c2cc(Br)oc2C)cc1Br 2137648447 NMQBFXJJHUWKLB-ZDUSSCGKSA-N 473.386 6.259 50 10 JKGE Cn1ncc(Br)c1CC(CBr)(CBr)C1CCCCCC1 2143635278 SCLTYGBWPARJFZ-UHFFFAOYSA-N 471.075 5.472 50 10 JKGE Cc1cc(Br)c(F)c([C@@H](Br)c2cc(C)c(Br)cc2C)c1 2145599196 BGKGEMICANIYPG-HNNXBMFYSA-N 464.998 6.760 50 10 JKGE COc1cc(Br)c(C)cc1[C@H](Br)Cc1ccccc1Br 2145952912 FEOIRIVXWREDTK-OAHLLOKOSA-N 463.007 6.207 50 10 JKGE Clc1ccccc1C[C@H](CBr)Cc1ccc(Br)cc1Br 2148681970 LIFOTPNQYZQRMD-LLVKDONJSA-N 481.453 6.661 50 10 JKGE CCOc1ccc(Br)cc1[C@@H](Cl)c1c(Br)cccc1Br 2150494222 PBKQZQFNYGILFZ-OAHLLOKOSA-N 483.425 6.701 50 10 JKGE CC(C)(C)C[C@H](CBr)CNC(=O)c1ccc(I)c(Cl)c1 2156326711 QOMJFLKFNWFTGT-SNVBAGLBSA-N 472.592 5.122 50 10 JKGE CCc1nsc(CC(CBr)(CBr)c2ccccc2Br)n1 2158913856 LMOAWUMPUOSAFP-UHFFFAOYSA-N 483.067 5.133 50 10 JKGE CN(Cc1c(Br)cccc1Br)C[C@H](Br)C1CCCCC1 2167654514 XZUZRAFLLKSJKG-INIZCTEOSA-N 468.071 5.987 50 10 JKGE C[C@@H](c1cccs1)N(Cc1ccccc1)S(=O)(=O)c1cc(F)ccc1CBr 2179787800 UHOWHDHNBJVSDS-HNNXBMFYSA-N 468.413 5.734 50 10 JKGE Cc1cc(Br)c(C)c([C@@H](Br)[C@H]2COCCC2(F)F)c1Br 2201080424 YDCOIZOMPOWEAU-RNCFNFMXSA-N 476.981 5.936 50 10 JKGE COc1c(Cl)cc(Br)cc1[C@@H](Br)c1cc(Cl)ccc1Cl 2203004855 SXDYCUAYMXEHON-ZDUSSCGKSA-N 459.392 6.902 50 10 JKGE COc1c(Br)cc(C)cc1[C@@H](Br)c1ccc(Br)c(Cl)c1 2203830261 OAKSLFLWUKJMAI-AWEZNQCLSA-N 483.425 6.666 50 10 JKGE Clc1ccc(I)c([C@@H](Br)c2ccc(-c3cccs3)s2)c1 2205859970 MTUDXWVGCCGWOC-OAHLLOKOSA-N 495.632 7.219 50 10 JKGE COc1c(C)cc(Br)cc1[C@H](Br)c1c(Br)sc(C)c1C 2206579214 QAZGVBZWEYJKBE-ZDUSSCGKSA-N 483.063 6.691 50 10 JKGE COc1c(C)cc(Br)cc1[C@@H](Br)c1cc(C)ccc1Br 2206601126 ZTLNYWBLMGOHEB-HNNXBMFYSA-N 463.007 6.321 50 10 JKGE BrCC(CBr)(C[C@H]1CCCOCC1)c1cccc(Br)c1 2206821395 DEPRRXCVTZONGJ-ZDUSSCGKSA-N 469.055 5.684 50 10 JKGE CCc1cc([C@H](Br)c2ccc(I)c(C)c2)c(F)cc1F 2207112452 YSVYXTDPDNIPAZ-MRXNPFEDSA-N 451.092 5.925 50 10 JKGE Cc1nn(C)c([C@@H](Br)c2sc(Br)c(C)c2C)c1Br 2218788878 RLGJUQLMVPQIOY-SECBINFHSA-N 457.029 5.416 50 10 JKGE Cc1cc(Br)c([C@H](Br)c2cc(C)c(Br)cc2C)s1 2221838822 UIGDGKHFGCBAMW-CYBMUJFWSA-N 453.037 6.683 50 10 JKGE CCc1ccc([C@@H](Br)c2c(Br)cc(C)c(Br)c2C)o1 2227348247 MYFGERGIJAAIRG-OAHLLOKOSA-N 450.996 6.468 50 10 JKGE Fc1cc(Cl)ccc1[C@H](Br)c1c(Br)cc(Cl)c(Cl)c1Cl 2232514956 XWFKSVIZSZEJSS-NSHDSACASA-N 481.801 7.686 50 10 JKGE FC1(F)CC2(C[C@@H]2[C@@H](Br)c2c(Br)cc(Cl)c(Cl)c2Cl)C1 2232517580 UMRCVWLYRDSPQA-MLUIRONXSA-N 469.378 7.281 50 10 JKGE Cc1cc(Br)c([C@H](Br)c2cc3nc(O)[nH]c3cc2Br)s1 2237634085 UARJWCORINVKTJ-LLVKDONJSA-N 481.007 5.648 50 10 JKGE Cc1ccc(I)c([C@H](Cl)c2c(F)cc(F)c(Br)c2F)c1 2240996735 LTIZXRHAKQAVFT-ZDUSSCGKSA-N 475.473 6.108 50 10 JKGE COc1ccc([C@H](Br)c2ccc(Br)o2)c(Br)c1Cl 2256326007 VLVZMECNTCBIOI-JTQLQIEISA-N 459.359 5.951 50 10 JKGE COc1cc(C)c([C@@H](Br)c2scc(Br)c2Cl)cc1Br 2264609876 PHAPFRROQBVDOG-LLVKDONJSA-N 489.454 6.728 50 10 JKGE COc1ccc([C@H](Cl)c2cccc(Br)c2Cl)cc1I 2269543460 IQNVENIJYRVJNU-ZDUSSCGKSA-N 471.947 6.044 50 10 JKGE Brc1ccc([C@@H](Br)c2ccc(C3CCC3)s2)c(Br)c1 2271972811 LOGLMDMJTDKZQQ-OAHLLOKOSA-N 465.048 7.025 50 10 JKGE Cc1cc(C(F)(F)F)sc1[C@@H](Br)c1cc(Br)c(Cl)s1 2277706577 RHKZIUNNGMIJAA-QMMMGPOBSA-N 454.558 7.037 50 10 JKGE Fc1ccc([C@H](Cl)c2cc3sc(Br)cc3s2)c(I)c1 2278095290 ADVSDGWFAROASH-ZDUSSCGKSA-N 487.584 6.797 50 10 JKGE COCc1cc(Br)c([C@H](Cl)c2cc(F)c(Br)cc2Cl)s1 2282899161 OHZQXTNRLARZMX-GFCCVEGCSA-N 462.993 6.540 50 10 JKGE COc1c([C@H](Br)c2cn(C)c(Br)n2)cc(Br)c(C)c1C 2284525546 RWEHTPLRUNPVFQ-LBPRGKRZSA-N 466.999 5.055 50 10 JKGE Cc1cc(Br)c(C)c([C@@H](Br)[C@H]2C[C@H](S(C)(=O)=O)C2)c1Br 2285276700 XWOIQNUWLREOHS-BHDSKKPTSA-N 489.067 5.088 50 10 JKGE Cc1cc(Cl)c(Cl)cc1[C@@H](Br)c1cc(Br)c(F)cc1Cl 2285987402 JCVJHQRJLBLKCO-CQSZACIVSA-N 461.383 7.341 50 10 JKGE CCn1ncc(Br)c1[C@@H](Cl)c1c(F)cc(Br)c(F)c1Br 2288350014 VZARAGJKARSZEL-JTQLQIEISA-N 493.371 5.797 50 10 JKGE Cc1ccccc1CC[C@H](Br)Cc1cc(Br)cc(Br)c1 2295345372 LHYRICLKBYTZLQ-HNNXBMFYSA-N 461.035 6.459 50 10 JKGE Brc1cc(Br)cc(C[C@@H](Br)c2coc3ccccc23)c1 2295345887 RYDBXMVBXUMKNX-OAHLLOKOSA-N 458.975 6.637 50 10 JKGE COc1cc(OC)c([C@@H](Br)c2ccccc2OCc2ccccc2)cc1Br 2295430091 ICOPXSQABJGTLZ-QFIPXVFZSA-N 492.207 6.530 50 10 JKGE N#CC(=Cc1ccc(OCc2ccccc2Cl)c(Br)c1)C(=O)Nc1ccc(O)cc1 2297506252 LEZDEAVAZZZTEI-UHFFFAOYSA-N 483.749 5.933 50 10 JKGE O=C(N[C@@H](CCBr)COCc1ccccc1)c1c(Cl)cccc1Br 2303541384 WWXVQROPAMAOPD-AWEZNQCLSA-N 475.608 5.203 50 10 JKGE O=C(N[C@@H](CCBr)COCc1ccccc1)c1cc(Br)ccc1Cl 2303547778 ZZOCQEWQKYRNPH-HNNXBMFYSA-N 475.608 5.203 50 10 JKGE Fc1c(Br)cc(Cl)c([C@@H](Br)[C@H]2C[C@@H](F)C2)c1Br 2307187480 DYUKVTKOHKGZHP-ZDEZVYLVSA-N 453.346 6.188 50 10 JKGE N#CC(=Cc1ccccc1OCc1cccc(Cl)c1)C(=O)Nc1ccc(Cl)c(Cl)c1 2313630506 BAMBXCJERFJWAQ-UHFFFAOYSA-N 457.744 6.771 50 10 JKGE CCOc1cc(C=C(C#N)C(=O)Nc2cccc(Cl)c2)ccc1OC(=O)c1ccc(OC)cc1 2313631726 UTNBZHHUXSKQIM-UHFFFAOYSA-N 476.916 5.512 50 10 JKGE COc1cc(C=C(C#N)C(=O)NCc2ccccc2)ccc1OCc1ccc(Cl)c(Cl)c1 2313724481 AZJBUKLJKADTNS-UHFFFAOYSA-N 467.352 5.804 50 10 JKGE Cc1cccc([C@H](Br)c2cc(Br)ccc2OCc2ccccc2)c1C 2314449987 VGXWHHDLAMHUQE-QFIPXVFZSA-N 460.209 7.129 50 10 JKGE COC[C@@]1([C@@H](Br)c2cc(Br)ccc2OCc2ccccc2)CCCO1 2314451329 DMQKVCPSEHPQNJ-VQTJNVASSA-N 470.201 5.660 50 10 JKGE FC1(F)[C@@H]2CC[C@H]([C@@H](Br)c3cc(Br)ccc3OCc3ccccc3)[C@@H]21 2314454596 HMTMXXWTKNQXBM-QNDJGXFYSA-N 472.167 6.755 50 10 JKGE N#CC(=Cc1ccc(-n2nc(-c3ccccc3)cc2-c2ccccc2)cc1)c1ccc(Cl)cc1 2314482194 ASXIEKPIKHTIRY-UHFFFAOYSA-N 457.964 7.924 50 10 JKGE N#CC(=Cc1cccn1-c1ccc([N+](=O)[O-])cc1)c1nc(-c2cc3ccccc3oc2=O)cs1 2314488277 NDAVHGOVJXJXRU-UHFFFAOYSA-N 466.478 5.680 50 10 JKGE CS(=O)(=O)C1CC([C@@H](Br)c2ccc(OCc3ccccc3)cc2Br)C1 2314491036 PULKUJONYHARGN-GSQSYGFSSA-N 488.241 5.287 50 10 JKGE Cc1cccc(C[C@H]2SC(=C(C#N)C(=O)NCc3ccco3)N(c3ccc(C(C)C)cc3)C2=O)c1 2314593890 VOFDLCBLGIGBBT-RUZDIDTESA-N 485.609 5.454 50 10 JKGE CC1=C(C#N)C(=O)N(CC(C)C)C(=O)C1=Cc1cn(-c2ccccc2)nc1-c1ccc(Cl)cc1 2314610656 KPEWGTBEXCRYEN-UHFFFAOYSA-N 470.960 5.441 50 10 JKGE Clc1cc(I)c([C@@H](Br)c2ccc(C3CC3)cc2)s1 2316605003 DQDUTCIFEJVTOO-ZDUSSCGKSA-N 453.570 6.368 50 10 JKGE CCCOc1ccc(C=NNC(=O)c2ccc(-c3ccc(F)cc3F)nc2C)cc1OCC 2321244546 RKIWNAFTAYFHGD-UHFFFAOYSA-N 453.489 5.287 50 10 JKGE BrCCC1(NCc2ccc(I)c(Br)c2)CCCC1 2325226021 LDJHCMNARPOTGN-UHFFFAOYSA-N 487.017 5.241 50 10 JKGE O=C(c1cc(Br)sc1Br)N1[C@H]2CCC[C@H]2C[C@@H]1CBr 2329611867 AASZXAFGABKJNI-XKSSXDPKSA-N 472.040 5.051 50 10 JKGE COc1ccc(C=C(C(O)=C(C#N)c2nc(-c3ccc(OC)cc3)cs2)c2ccccc2)cc1 2331273288 GMYXXQRCXIDKQH-UHFFFAOYSA-N 466.562 6.861 50 10 JKGE CC[C@H](C)N1C(=O)c2ccc(C(O)=C(C#N)c3nc(-c4c(C)c(C)cc(C)c4C)cs3)cc2C1=O 2331364601 OZAHISXEDZSRBI-INIZCTEOSA-N 485.609 6.388 50 10 JKGE COc1cc(OC)c(-c2csc(C(C#N)=C(O)COc3ccc(C)c(C)c3)n2)cc1Cl 2331378722 VAQALIQVTXJBIB-UHFFFAOYSA-N 456.951 5.969 50 10 JKGE Fc1cc(Br)c(Br)cc1[C@@H](Br)[C@@H]1C[C@@H]2O[C@H]1[C@H]1C[C@@H]21 2333605637 SSWZHDVUCDIUNG-UFFDGLQRSA-N 454.959 5.210 50 10 JKGE Fc1c(Br)cc(Cl)c([C@@H](Br)CC2CC(F)(F)C2)c1Br 2337090801 RPZFXJUPGJULNY-LURJTMIESA-N 485.363 6.876 50 10 JKGE CCCCC1CCC(CBr)(Cc2sccc2I)CC1 2338638047 NQNYFLOHRFIXNO-UHFFFAOYSA-N 455.243 6.657 50 10 JKGE Cc1c(OCc2cc(I)ccc2Br)ccnc1CCl 2341778943 KRCAMOWDVUHXDK-UHFFFAOYSA-N 452.517 5.075 50 10 JKGE CN(Cc1cc(I)ccc1Cl)[C@@H]1CCCCC[C@H]1Br 2352413159 DIJBAMUGFBJMFC-UKRRQHHQSA-N 456.593 5.473 50 10 JKGE Cc1cc(Br)c([C@@H](Br)[C@H]2[C@@H]3[C@H]2CCCC3(F)F)cc1Br 2355159155 PZSAGVGZIZTGKS-ZLCVWYCYSA-N 472.993 6.637 50 10 JKGE FCCOc1cccc([C@@H](Br)c2cc(Br)ccc2OCc2ccccc2)c1 2361174754 YZFXOKBTLVOUCK-JOCHJYFZSA-N 494.198 6.861 50 10 JKGE Fc1c(Br)cc(Cl)c([C@H](Cl)[C@@H]2[C@@H]3[C@H]2CCC3(F)F)c1Br 2362239889 WNVHXXWIERJQSH-MLYCQKTASA-N 452.923 6.575 50 10 JKGE Fc1cc(CBr)c(N2CC[C@@]3(CCCN(Cc4ccccc4)C3)C2)cc1Cl 2362392530 VIJLNHUHCOQWPP-JOCHJYFZSA-N 451.811 5.867 50 10 JKGE CC(C)(C)OC(=O)N1CCC(CI)(OCc2ccc(F)cc2C2CC2)CC1 2364636931 BQNTWVRUIXJUGY-UHFFFAOYSA-N 489.369 5.424 50 10 JKGE Cc1cc(Br)c(F)c(Br)c1[C@H](Br)C1CCC(F)(F)CC1 2365224744 BMCQOFZGLQKSDR-LLVKDONJSA-N 478.972 6.921 50 10 JKGE Fc1cc(CCl)c(OCc2ccc(I)c(Br)c2)cc1Cl 2377624840 NHDVSPOHMHBQKN-UHFFFAOYSA-N 489.937 6.164 50 10 JKGE Cc1ccc(C[C@H]2S/C(=C(\C#N)C(=O)Nc3ccccc3)N(c3ccccc3)C2=O)cc1Cl 2377473 OFPNWAGYOLPOBI-QPSWJSTDSA-N 473.985 5.713 50 10 JKGE N#CC1=C(S)N(c2ccccc2)[C@@H](/C=C/c2ccc(-c3ccc(Br)cc3)o2)NC1=O 2670598 LVPJBMTYVUAHGM-KONDSOJQSA-N 478.371 5.350 50 10 JKGE COc1ccc([C@@H](C(=O)NCCc2ccccc2)N(Cc2ccc(Cl)cc2)C(=O)CCl)cc1 3039728 JRPLGOZGLPNPCS-VWLOTQADSA-N 485.411 5.016 50 10 JKGE CCOc1cc(/C=N/NC(=O)C=C(Sc2ccccc2)Sc2ccccc2)ccc1O 21326707 MGMBTYOMTBOWQY-KOEQRZSOSA-N 450.585 5.667 50 10 JKGE COc1cc(/C=N/NC(=O)CSc2nc3ccccc3s2)ccc1OCc1cc(C)cc(C)c1 32519988 FHRBSJNFVKZFKV-MZJWZYIUSA-N 491.638 5.743 50 10 JKGE CCOC(=O)c1c(NC(=O)/C(C#N)=C\c2cn(C(=O)c3ccccc3)c3ccccc23)sc(C)c1C 33339715 UMPDNBOBPUYGLJ-ZHZULCJRSA-N 497.576 5.731 50 10 JKGE CCCOc1ccc(/C=C(/C#N)C(=O)Nc2scc(-c3ccccc3)c2C(=O)OCC)cc1 33346501 SANVGFULXMMOEP-HKWRFOASSA-N 460.555 5.926 50 10 JKGE N#C/C(=C/c1ccc(-n2nc(-c3ccccc3)cc2-c2ccccc2)cc1)c1[nH]nc(N)c1C#N 33568620 ONXUTFZOWPNKRK-JCMHNJIXSA-N 453.509 5.447 50 10 JKGE N#CC1=C(N)Oc2cc(OC(=O)c3ccccc3Cl)ccc2[C@@H]1c1c(F)cccc1Cl 38680180 IICOGTSIWPVXMW-FQEVSTJZSA-N 455.272 5.570 50 10 JKGE CC(C)CCOc1cccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4cccc([N+](=O)[O-])c4)ccc32)c1 38684750 AHCRRCYIAKNVHR-SANMLTNESA-N 499.523 5.457 50 10 JKGE CCCCCOc1cccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4ccc([N+](=O)[O-])cc4)ccc32)c1 38684794 KSCIOHBPYJBBFT-AREMUKBSSA-N 499.523 5.601 50 10 JKGE CCCOc1cccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4oc5ccc(F)cc5c4C)ccc32)c1 38701019 NYAIEZMSQFXOTN-AREMUKBSSA-N 498.510 6.107 50 10 JKGE Cc1cc(OCC(=O)N/N=C/c2ccc(Br)cc2)c(C(C)C)cc1Br 40902715 RVWFCBBVHHVCCB-LSHDLFTRSA-N 468.189 5.173 50 10 JKGE COc1cc(C)c(/C=N/NC(=O)COc2ccc(C(C)(C)c3ccccc3)cc2)cc1C(C)C 59146366 NATLKQIIJBCAJT-UXHLAJHPSA-N 458.602 5.982 50 10 JKGE CCOc1cc(/C=C(/C#N)C(=O)Nc2ccc(C)cc2)cc(Cl)c1OCc1ccc([N+](=O)[O-])cc1 59335579 WMSLCRPJJZZMRR-NDENLUEZSA-N 491.931 6.080 50 10 JKGE C=CCn1c(CNc2ccc(Cl)cc2)nnc1S[C@H](C)C(=O)N/N=C(/C)c1ccc(C)cc1 59475349 DQJJWAKKIQNSKH-LSWALSBFSA-N 483.041 5.059 50 10 JKGE N#C/C(=C/c1cn(Cc2ccc(Br)cc2)c2ccccc12)C(=O)NCc1cccs1 59534472 AGZPOHIQNGAGAN-PDGQHHTCSA-N 476.399 5.737 50 10 JKGE N#C/C(=C/Nc1ccc(Cl)cc1C(F)(F)F)c1nc(-c2cccc3ccccc23)cs1 102924161 BOADOTCRFNGKCY-QINSGFPZSA-N 455.892 7.612 50 10 JKGE Br[C@@H]1CCCC[C@@H]1[n+]1c(-c2ccccc2)cc(-c2ccccc2)cc1-c1ccccc1 106869816 AJFJBOTYRURHMT-SXOMAYOGSA-N 469.446 7.854 50 10 JKGE Cl[C@H](c1ccc(Br)s1)c1cc(Br)c(Br)s1 130936812 HPXNKVUZEDVMBX-MRVPVSSYSA-N 451.430 6.425 50 10 JKGE Cc1ccc(Br)c(-n2c([C@@H](C)Cl)nc3cc(I)ccc32)c1 164098845 DXIFITAGVQZCAN-SNVBAGLBSA-N 475.555 6.001 50 10 JKGE Fc1ccc(-n2c(CCl)nc3cc(I)ccc32)cc1Br 164242776 IFZHHROPHJSVIJ-UHFFFAOYSA-N 465.491 5.271 50 10 JKGE Cc1nn(C)c(Cl)c1CC(CBr)(CBr)c1ccc(Cl)cc1 167849351 WRNMWUXKASKFLU-UHFFFAOYSA-N 455.021 5.306 50 10 JKGE COc1cc(/C=C(/C#N)c2nc(-c3ccc(Cl)cc3)cs2)cc([N+](=O)[O-])c1OC(C)C 169939478 UOAHEOQYIAPXDI-PXNMLYILSA-N 455.923 6.232 50 10 JKGE CCOc1ccc([C@H](Br)c2ccc(Br)cc2Cl)cc1Br 228997892 AMBPCPIUOMFTNX-HNNXBMFYSA-N 483.425 6.748 50 10 JKGE CCCOc1ccc([C@@H](Br)c2ccccc2Br)cc1Br 229008789 DGHSKUZKEYBRKI-MRXNPFEDSA-N 463.007 6.485 50 10 JKGE O=[N+]([O-])c1ccccc1C[C@@H](Br)c1ccc(I)c(Cl)c1 232386324 ARPOLWSCIOOHJJ-LLVKDONJSA-N 466.500 5.532 50 10 JKGE CC(C)c1ccc([C@H](Br)c2cc(I)ccc2Br)cc1 232741610 AKXJKTFYXYLLIC-INIZCTEOSA-N 494.008 6.661 50 10 JKGE COc1ccc(Br)cc1[C@H](Br)c1cccc(Br)c1F 234814779 ZCJHUNBZEIJSIO-CYBMUJFWSA-N 452.943 5.844 50 10 JKGE Cc1cc([C@H](Br)c2cccc(C)c2I)sc1Br 235865949 QXCAAHIFZMBZKY-LLVKDONJSA-N 486.010 6.216 50 10 JKGE 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@]12C 254341193 IZWHBFBYKQEQAB-XDOIUYBPSA-N 467.576 7.842 50 10 JKGE CCCCCCCCCCCCCC(=O)NN=Cc1ccc(OCc2ccc(C)cc2)cc1 254628302 BLMWUJCSAHPWMM-UHFFFAOYSA-N 450.667 7.725 50 10 JKGE COc1cc(C)c(Br)cc1[C@H](Br)c1cccc(OCc2ccccc2)c1 312092391 CMGIRTHPRZKCEP-JOCHJYFZSA-N 476.208 6.829 50 10 JKGE Fc1cc(F)c(F)c([C@@H](Br)c2cc(Br)c(Br)s2)c1F 395951952 GGBQUSCMDRFELP-QMMMGPOBSA-N 482.916 6.314 50 10 JKGE CC(C)Cc1nc(-c2cc(I)ccc2Br)oc1CCl 401168323 STIJNORIYJFHAE-UHFFFAOYSA-N 454.533 5.646 50 10 JKGE CO[C@@](C)(COCc1ccccc1)Cn1c([C@@H](C)Cl)nc2cc(Br)cnc21 702787111 ZHLMBRYJSFTLLX-JLTOFOAXSA-N 452.780 5.116 50 10 JKGE Cc1cccc([C@H](Cl)c2sc(C)c(Br)c2C)c1I 724985786 VCYVUTTXPJYUJL-LBPRGKRZSA-N 455.586 6.369 50 10 JKGE C=CCc1cc(C=NNC(=O)CC[C@@H](O)c2ccccc2)cc(OC)c1OCc1ccccc1F 725412173 PINSTDQPUFJQKV-RUZDIDTESA-N 476.548 5.106 50 10 JKGE CCOc1cc(/C=C(/C#N)C(=O)Nc2ccc(Cl)c(Cl)c2)c(Br)cc1OC 1083885641 DKKGEFWHYFTTMC-SDQBBNPISA-N 470.150 5.709 50 10 JKGE O=C(NN=Cc1ccc(OCc2cccc(F)c2)cc1)c1cc2cc(Br)ccc2o1 1084038223 FUGMBDPXNKXZTR-UHFFFAOYSA-N 467.294 5.677 50 10 JKGE O=C(NN=Cc1ccc(OCC(=O)N2CCCCC2)cc1)c1ccc(CSc2ccccc2)cc1 1084043254 QCZGREZLHBYWNW-UHFFFAOYSA-N 487.625 5.134 50 10 JKGE Cc1cccc(C)c1NC(=O)CSc1ccc(C=NNC(=O)c2ccc(Cl)cc2Cl)o1 1084222044 MCEDWUKCKNPFKV-UHFFFAOYSA-N 476.385 5.698 50 10 JKGE Cc1ccc(C(=O)NN=C2CCCc3oc(C(=O)N4c5ccc(F)cc5CC[C@@H]4C)c(C)c32)cc1 1772744235 AKXHTCQDDIPEHX-KRWDZBQOSA-N 473.548 5.487 50 10 JKGE CCCCOc1ccc(NC(=O)c2oc3c(c2C)C(=NNC(=O)c2ccccc2OC)CCC3)cc1 1772745713 FNWOZBKLWWQFDJ-UHFFFAOYSA-N 489.572 5.498 50 10 JKGE Cc1ccnc(NC(=O)c2oc3c(c2C)C(=NNC(=O)c2ccc(-c4ccccc4)cc2)CCC3)c1 1772746790 HFNCWJWVFUPLLT-UHFFFAOYSA-N 478.552 5.681 50 10 JKGE Cc1ccc(C)c(NC(=O)c2oc3c(c2C)C(=NNC(=O)c2ccc(Cl)cc2Cl)CCC3)c1 1772748409 PWCRKMMGXZJDCC-UHFFFAOYSA-N 484.383 6.234 50 10 JKGE Cc1cc(C)c2c(CC(=O)NN=C3CCCc4oc(C(=O)Oc5ccccc5)c(C)c43)coc2c1 1772751880 COAKMXFMADSAFI-UHFFFAOYSA-N 470.525 5.570 50 10 JKGE COc1ccc(-c2nn(-c3cccc4ccccc34)c3c2[C@@H](c2ccccc2)C(C#N)=C(N)O3)cc1 1865680479 MBVYZKKKEDBIDK-SANMLTNESA-N 470.532 5.919 50 10 JKGE N#CC1=C(N)Oc2c(c(C(F)(F)F)nn2-c2ccccc2Cl)[C@H]1c1cccc2ccccc12 1865682286 LGCWQBIDAUXOKT-IBGZPJMESA-N 466.850 5.916 50 10 JKGE CCOc1cccc([C@H]2C(C#N)=C(N)Oc3c2c(-c2ccccc2)nn3-c2ccc(Cl)cc2)c1 1865689661 CBUADLAXYRHZTK-QHCPKHFHSA-N 468.944 5.810 50 10 JKGE CCCCCOc1ccc([C@@H]2C(C#N)=C(N)Oc3c2c(C(F)(F)F)nn3Cc2ccccc2)cc1 1865690167 KJRZUWGEGOFSHI-OAQYLSRUSA-N 482.506 5.737 50 10 JKGE CCCOc1ccc([C@H]2C(C#N)=C(N)Oc3c2c(CC)nn3-c2ccccc2Cl)cc1OCC 1865690777 AXTQKUIOWGWAKL-QHCPKHFHSA-N 478.980 5.494 50 10 JKGE C=CCOc1ccccc1[C@H]1C(C#N)=C(N)Oc2c1c(-c1ccccc1)nn2-c1ccc(Cl)cc1 1865690844 CNGCHUVMCNBXHY-DEOSSOPVSA-N 480.955 5.976 50 10 JKGE COc1ccc(-c2nn(-c3ccc(C)cc3)c3c2[C@H](c2cn(C)c4ccccc24)C(C#N)=C(N)O3)cc1 1865698717 AZQOXLXBYKFPHF-SANMLTNESA-N 487.563 5.566 50 10 JKGE Cc1ccc(-n2nc(C(F)(F)F)c3c2OC(N)=C(C#N)[C@@H]3c2cc(Br)ccc2F)cc1 1865702555 WSXRSAJFQSEKEP-INIZCTEOSA-N 493.258 5.319 50 10 JKGE C/C(=N/NC(=O)c1ccc(-c2ccc(Cl)cc2Cl)nc1C)c1ccc(C(C)(C)C)cc1 1865763450 MMDBGUOKSGRPGW-FDVSRXAVSA-N 454.401 6.815 50 10 JKGE CCCC[C@H](NC(=O)[C@@H](c1ccc(Cl)c(Cl)c1)C(C)C)C(=O)Nc1ccc(SC#N)cc1 1866990869 KQBZIOJUAHQCOV-FCHUYYIVSA-N 492.472 6.620 50 10 JKGE CC[C@](C)(NC(=O)[C@H](c1ccc(OC)cc1)C1CCCC1)C(=O)Nc1ccc(SC#N)cc1 1867014839 ZKEUUOOMZLQNSH-OZXSUGGESA-N 465.619 5.466 50 10 JKGE CCCCc1ccc(N2C[C@@H](/C(O)=C(\C#N)c3nc(-c4ccc(OC)cc4)cs3)CC2=O)cc1 1872746132 UBWXEVJFXDPXBJ-UOODYVSWSA-N 473.598 6.007 50 10 JKGE COCCCN1C(=O)c2ccc(/C(O)=C(\C#N)c3nc(-c4cc(C)ccc4C)cs3)cc2C1=O 1872749901 MPVLTFYGJSQAAS-LNVKXUELSA-N 473.554 5.009 50 10 JKGE COc1c(C)cc(C)cc1-c1csc(/C(C#N)=C(\O)Cc2ccc(OCc3ccccc3)cc2)n1 1872754828 KXJQUADPJUORKN-RFBIWTDZSA-N 482.605 7.050 50 10 JKGE COc1cc(-c2csc(/C(C#N)=C(\O)c3cccc(NC(C)=O)c3)n2)c(OC)cc1Cl 1872756306 HFRDITFYFUVRJG-PGMHBOJBSA-N 455.923 5.389 50 10 JKGE CCOc1cc(/C=C(\C#N)c2nc(-c3ccc(Cl)s3)cs2)ccc1OCc1ccccc1 1872794524 HCHBPRYNHVQLLH-XDHOZWIPSA-N 479.026 7.567 50 10 JKGE COc1c(Cl)cc(-c2csc(/C(C#N)=C/c3cc4c(cc3[N+](=O)[O-])OCCO4)n2)cc1Cl 1872794626 MXILUCPBRFCNET-YIXHJXPBSA-N 490.324 5.869 50 10 JKGE Brc1cc([C@H](Br)[C@@H]2C[C@H]2Br)c(Br)s1 1877360034 RAMZJTNSSURKQP-HGWBJXFBSA-N 453.819 5.493 50 10 JKGE Clc1sc(Br)c(Cl)c1[C@@H](Br)c1cnsc1Br 1900418142 HETKUPZRFXVWOX-BYPYZUCNSA-N 486.863 6.521 50 10 JKGE COc1cc(C)c([C@H](Cl)c2cc(Br)sc2Br)cc1Br 1901585287 ALQHGRZGSQJFGZ-LBPRGKRZSA-N 489.454 6.681 50 10 JKGE Cc1nsc(Br)c1[C@H](Br)c1c(Br)cc(F)c(F)c1F 1912931689 KJVVPBULKSZOSO-QMMMGPOBSA-N 479.941 5.878 50 10 JKGE CCN(c1ccc(Br)cc1CBr)[C@H]1CCN(Cc2ccccc2)C1 1915068113 SSNVNRQKGVDPFH-IBGZPJMESA-N 452.234 5.445 50 10 JKGE O=C(c1cc(Cl)ccc1Br)N(Cc1ccccc1)C1(CBr)CCC1 1915760403 OFZATVSDAZKSOA-UHFFFAOYSA-N 471.620 6.063 50 10 JKGE CC(C)Cc1ccccc1[C@@H](Br)c1sc(Br)cc1Br 1922881959 GAUBHOTYQOIVQF-CQSZACIVSA-N 467.064 6.956 50 10 JKGE Cc1cc(Br)c(F)c([C@@H](Cl)c2sc(Br)cc2Br)c1 1922886315 RXDJBBSNDNAGRP-SNVBAGLBSA-N 477.418 6.811 50 10 JKGE Cc1c(Br)sc([C@@H](Br)[C@@H]2Cc3ccccc32)c1Br 1922944892 ANXRLQFJXHNGGY-PWSUYJOCSA-N 451.021 6.357 50 10 JKGE C[C@@H](C[C@@H](Br)c1c(Br)sc(Br)c1Cl)CC(C)(C)C 1923054418 FHVCVTHSVQSZEJ-JGVFFNPUSA-N 481.519 7.825 50 10 JKGE C[C@@H]1CC([C@@H](Br)c2c(Br)sc(Br)c2Cl)C[C@@H](C)O1 1923065907 IYKOKQMHJXIUOP-HCVRKRLWSA-N 481.475 6.566 50 10 JKGE CC[C@@]1([C@H](Br)c2c(Br)sc(Br)c2Cl)CC1(F)F 1923075097 WREPFHLGZOMPLA-MUWHJKNJSA-N 473.402 6.798 50 10 JKGE CCCC1CC([C@H](Br)c2c(Br)sc(Br)c2Cl)C1 1923075300 ZQQFEHBMOBNDSW-IEIXJENWSA-N 465.476 7.189 50 10 JKGE COc1ccc(Br)c([C@H](Br)[C@@H](C)c2ccncc2Br)c1 1924040743 PRTREZBHYJTZAF-BJOHPYRUSA-N 463.995 5.855 50 10 JKGE Cl[C@@H](CC[C@@H]1CCCCO1)c1c(Br)sc(Br)c1Br 1924589611 CYNCEGRTFHXPCY-YUMQZZPRSA-N 481.475 6.665 50 10 JKGE O=C(N[C@@H](CBr)CC1CCCC1)c1cc(Br)c(Br)s1 1926747329 YFJQKSQCMQCMCI-SECBINFHSA-N 474.056 5.347 50 10 JKGE COCCOCCN(Cc1ccccc1)c1ccc(CBr)c(Br)c1 1946827137 QHYCHYDHKHDXIM-UHFFFAOYSA-N 457.206 5.014 50 10 JKGE FC(F)(F)[C@@H]1C[C@H]1[C@H](Cl)c1c(Br)sc(Br)c1Br 1950753490 DEAHHGSHRWFRED-SAMGZKJBSA-N 477.365 6.514 50 10 JKGE C[C@@H]1CC[C@H](C[C@H](Cl)c2c(Br)sc(Br)c2Br)O1 1998141150 PLZKVJYGLMBGHD-QYNIQEEDSA-N 467.448 6.273 50 10 JKGE COCCCCN(Cc1ccccc1)c1cc(C)cc(Br)c1CBr 2005453153 SPSZKCZDNVEMQL-UHFFFAOYSA-N 455.234 6.086 50 10 JKGE CC(C)(C)N(Cc1ccccc1)S(=O)(=O)c1ccc(CBr)cc1Br 2009657853 GPGOSUVYJLEJKO-UHFFFAOYSA-N 475.246 5.333 50 10 JKGE CC(C)(C)OC(=O)NCCSSCCN[C@@H]1CCCC[C@]12CCN(C(=O)OC(C)(C)C)C2 2061261977 IBKGWKPDHITLBD-WZONZLPQSA-N 489.748 5.052 50 10 JKGE CC(C)(C)[Si](C)(C)OC[C@@]1(CO[Si](c2ccccc2)(c2ccccc2)C(C)(C)C)CCC(=O)O1 2069589450 BJLMBRFKRYYLRI-MUUNZHRXSA-N 498.812 5.661 50 10 JKGE CO[C@@H]1C[C@H]([C@@H](Br)c2cc(Br)c(Br)s2)C12CCC2 2070184939 PMXGQWAIIGFYKF-AVPPRXQKSA-N 459.041 5.914 50 10 JKGE COc1ccc([C@H](Br)c2sccc2I)c(Cl)c1Cl 2083147690 XMETYLNVXAIPOS-VIFPVBQESA-N 477.976 6.152 50 10 JKGE Cc1c(Br)ccc([C@@H](Br)c2ccccc2Cl)c1Br 2083339183 PVLLEUSMRJSGBO-AWEZNQCLSA-N 453.399 6.658 50 10 JKGE Cc1c(F)ccc([C@H](Br)c2csc(Br)c2Br)c1C 2083351586 KJRGKDBLRUDWRR-NSHDSACASA-N 457.000 6.513 50 10 JKGE COc1c(C)cc(Br)cc1[C@H](Cl)c1sccc1I 2085637689 VODMEMSVPZBQEM-NSHDSACASA-N 457.558 5.760 50 10 JKGE BrCC1C[C@@H]2CC[C@H](C1)N2Cc1cccc(Br)c1Br 2092327575 CJAQAIBAXFNHCL-VGPLMAKISA-N 452.028 5.350 50 10 JKGE Cc1cc(Br)c([C@H](Br)[C@@H]2C(F)(F)C23CCC3)cc1Br 2093466045 QJHGZDKRWXLYGA-RYUDHWBXSA-N 458.966 6.391 50 10 JKGE CC1(C)CC2(CC([C@H](Br)c3cc(Br)ccc3Br)C2)C1 2100922109 JKRMQNXGQCBNLT-AWEZNQCLSA-N 451.040 6.864 50 10 JKGE Cc1cc(Br)c([C@@H](Br)C2CC(C(C)(C)C)C2)cc1Br 2104972333 MHPXPTMZBORDQZ-NWHVRFAMSA-N 453.056 7.028 50 10 JKGE CC(C)(C)CN(Cc1ccccc1)S(=O)(=O)c1cc(CBr)c(Cl)cc1Cl 2123252806 UTAIBMZDAYDAQJ-UHFFFAOYSA-N 479.267 6.125 50 10 JKGE Cc1cc(Br)c(C)c([C@@H](Br)C2CC3(COC3)C2)c1Br 2136377661 QYINPKDDPXTLIS-AWEZNQCLSA-N 453.012 5.691 50 10 JKGE COc1cc(F)c([C@@H](Cl)c2cc(Br)c(Br)s2)cc1Br 2138146910 UDDGXRSJVYTUPG-LLVKDONJSA-N 493.417 6.512 50 10 JKGE Clc1cc(Br)cc(Cl)c1Oc1cccc(Br)c1CBr 2138252065 ONEOIXFKQHLEHN-UHFFFAOYSA-N 489.816 7.206 50 10 JKGE Cc1c(Br)ccc([C@@H](Cl)c2cc(Br)ccc2F)c1Br 2138868121 ZURHFZWUTPLKIV-CQSZACIVSA-N 471.389 6.750 50 10 JKGE COCC12CC([C@H](Br)c3c(Cl)sc(Br)c3Cl)(CO1)C2 2141168466 ZGAZHZFQVOEWRP-HUUUCTMMSA-N 451.007 5.449 50 10 JKGE CO[C@H](COc1c(Br)cc(CBr)cc1Br)C1CCCC1 2150298751 PLYDFKWGFMVTLA-CQSZACIVSA-N 471.027 5.691 50 10 JKGE COc1ccc(Oc2c(CCl)ccc(Br)c2Cl)cc1I 2154365012 MAPYBUZTMZRCGK-UHFFFAOYSA-N 487.946 6.247 50 10 JKGE Cc1c(Br)sc([C@@H](Br)C2CC3(C2)CC2(CCC2)C3)c1Br 2157155800 DBZVNACFGRLXML-LBPRGKRZSA-N 483.107 7.378 50 10 JKGE C[C@H]1CCO[C@H]1CCC(CBr)(CBr)c1ccc(Br)cc1 2157325224 CDEZBOXBPDFQQH-WFASDCNBSA-N 469.055 5.682 50 10 JKGE FC1(F)CC2(C1)CC(CBr)(Cc1c(Br)cccc1Br)C2 2158838153 ADFASARVGJPZCW-UHFFFAOYSA-N 472.993 6.345 50 10 JKGE O=S(=O)(c1cc(CBr)c(Cl)cc1Cl)N(Cc1ccccc1)CC1CCCC1 2179828563 RHOLPEKMXJUSKA-UHFFFAOYSA-N 491.278 6.269 50 10 JKGE CC(C)[S@](=O)(=NCC1(CBr)CCCCC1)[C@H]1CCN(C(=O)OC(C)(C)C)C1 2183213953 ABXMYXFFKZBAFN-CBZJRKILSA-N 465.498 5.218 50 10 JKGE COc1cc(F)c([C@@H](Br)c2ccc(Br)cc2Cl)cc1Br 2202903868 KBKNVVGZQXAVJZ-AWEZNQCLSA-N 487.388 6.497 50 10 JKGE Cc1c(Br)ccc([C@H](Br)c2cc3cnn(C)c3s2)c1Br 2203707149 VXLCYLYDLPXJIC-ZDUSSCGKSA-N 479.035 5.953 50 10 JKGE Cc1sc(Br)cc1[C@@H](Cl)c1cc(Br)c(Br)cc1F 2218606848 WHIFXKMDOIWRMT-GFCCVEGCSA-N 477.418 6.811 50 10 JKGE CCc1cscc1[C@@H](Br)c1c(Br)cc(Cl)c(Cl)c1Cl 2224324011 ULJOVVFVEFGVIN-LLVKDONJSA-N 463.449 7.518 50 10 JKGE Cc1cc(Br)c(C)c([C@@H](Cl)c2cc(Br)c(C)s2)c1Br 2226087438 CVYHPBMXYSYMQF-AWEZNQCLSA-N 487.482 7.289 50 10 JKGE Cc1cc(Br)c([C@@H](Br)C2CC3(COC3)C2)c(C)c1Br 2227352858 RIICGSYGAZFRDC-AWEZNQCLSA-N 453.012 5.691 50 10 JKGE COc1cc([C@@H](Br)c2sccc2I)c(OC)cc1C 2228536950 CWTFLGZEYMDUBU-CYBMUJFWSA-N 453.139 5.163 50 10 JKGE Cc1ccc([C@H](C)[C@H](Br)c2c(Br)sc(Br)c2Cl)cc1 2232088206 PWCKEWLSONSWGB-KWQFWETISA-N 487.482 7.475 50 10 JKGE Clc1cc(Br)ccc1[C@@H](Cl)c1c(Br)cc(Cl)c(Cl)c1Cl 2232511774 LZAIKEGAFBFXBB-LLVKDONJSA-N 498.256 8.153 50 10 JKGE Clc1cc(Br)c([C@H](Br)[C@@H]2C[C@H]3C[C@H]2[C@@H]2C[C@H]32)c(Cl)c1Cl 2232530182 PPAPXJHTILFUEA-NHUJRCOKSA-N 459.436 7.137 50 10 JKGE Fc1cc(Br)c(Br)cc1[C@@H](Br)c1ccccc1C1CC1 2233978253 ZPWRBRVAAHZPNG-INIZCTEOSA-N 462.982 6.712 50 10 JKGE BrC[C@@H]1C[C@@H]2CCCC[C@@H]2N1Cc1cc(Br)ccc1Br 2240678827 DJDLSZLHJUYRLF-PJODQICGSA-N 466.055 5.740 50 10 JKGE CCN(C[C@@](C)(CI)OC[C@H]1CC[C@H](C)CC1)C(=O)OC(C)(C)C 2250265416 HCOVOIFZTTXRLA-GPMSIDNRSA-N 453.405 5.280 50 10 JKGE Cc1c(Br)sc([C@@H](Br)[C@H]2COC3(CCC3)C2)c1Br 2257144305 NIBOKPXFTRYXMB-SCZZXKLOSA-N 459.041 5.977 50 10 JKGE Fc1cc(Cl)c([C@H](Br)c2c(F)cccc2I)cc1Cl 2267664241 WWPHAYRZTOORCX-ZDUSSCGKSA-N 477.901 6.361 50 10 JKGE Clc1cccc([C@H](Br)c2cc(C3CC3)c(Br)s2)c1Br 2267985119 VILUJHBHOSZJMJ-ZDUSSCGKSA-N 485.466 7.288 50 10 JKGE Cl[C@@H](c1ccc(C2CCC2)s1)c1cc(I)ccc1Br 2271972235 YHZXTNPPHRMRQA-OAHLLOKOSA-N 467.597 6.711 50 10 JKGE CCCc1nc([C@H](Br)Cc2cc(Br)cc(Br)c2)cs1 2277953321 PZQFUXPFKYCOAK-GFCCVEGCSA-N 468.052 6.299 50 10 JKGE Cc1cc(Br)c(CCl)c(N(C)Cc2ccccc2I)c1 2280269972 GHRSIDKXYPVDBL-UHFFFAOYSA-N 464.572 5.737 50 10 JKGE COc1c(C)cc([C@H](Br)c2ccc(Cl)c(I)c2)cc1C 2283575910 ZTICVNOFXPMWCX-OAHLLOKOSA-N 465.556 6.054 50 10 JKGE C[C@@H](Br)C[C@@H]1CCCCN1C(=O)c1ccc(Cl)c(I)c1 2283656860 PTKOMNDXWAINGI-PWSUYJOCSA-N 470.576 5.113 50 10 JKGE COc1ccc(Br)c2c1nc([C@H](C)Cl)n2C[C@H](C)N(C)Cc1ccccc1 2286086070 XEIJEXYQRPILEX-GJZGRUSLSA-N 450.808 5.628 50 10 JKGE C[C@@H]1CCC[C@@H]([C@@H](Br)c2c(F)cc(Br)c(F)c2Br)CC1 2288343708 AUMVMPGCVQRUQS-JRKPZEMJSA-N 475.009 7.142 50 10 JKGE CC1(C)C(C)(C)C1(C)[C@H](Br)c1c(F)cc(Br)c(F)c1Br 2288361993 FYQPJHXPDIVFBK-GFCCVEGCSA-N 475.009 6.998 50 10 JKGE N#CC(C(=O)NCc1ccccc1)=C1S[C@@H](Cc2ccccc2)C(=O)N1c1ccc(Cl)cc1 2293039167 KJQCBCHYCFPONY-QHCPKHFHSA-N 473.985 5.083 50 10 JKGE COc1ccccc1OCCOc1c(Cl)cc(Cl)cc1C=C(C#N)C(=O)Nc1cccc(C)c1 2293582604 LCJUSVGYVDGSAS-UHFFFAOYSA-N 497.378 6.314 50 10 JKGE N#CC(=Cc1ccc(OCc2ccccc2F)cc1)C(=O)Nc1nc(-c2ccccc2)cs1 2295672273 IDFNTGMFMVAKRO-UHFFFAOYSA-N 455.514 6.074 50 10 JKGE N#CC(=Cc1ccc(-c2ccc([N+](=O)[O-])cc2Cl)o1)C(=O)Nc1ccc(Cl)cc1[N+](=O)[O-] 2297551472 MRLBRHWLKRIQMY-UHFFFAOYSA-N 473.228 5.615 50 10 JKGE CCC[C@H](C(C)C)[C@@H](Br)c1ccc(OCc2ccccc2)cc1Br 2299505018 SDXAELFPXSIEPF-WIYYLYMNSA-N 454.246 7.536 50 10 JKGE CCOc1ccc(NC(=O)C(C#N)=Cc2ccc(OCc3cccc(Cl)c3)c(OC)c2)cc1 2313676620 LFWOWJVJNMFPAG-UHFFFAOYSA-N 462.933 5.872 50 10 JKGE Cc1ccc(N2C(=O)[C@@H](Cc3ccccc3F)SC2=C(C#N)C(=O)Nc2ccccc2)cc1C 2314591828 FRPFDBAOQKSUDR-XMMPIXPASA-N 471.557 5.508 50 10 JKGE COc1cc(C=C2C(=O)N(C3CCCC3)C(=O)C(C#N)=C2C)ccc1OCc1ccc(Cl)cc1 2314616558 DNAYMLTYXIMEJM-UHFFFAOYSA-N 476.960 5.462 50 10 JKGE CCOc1cc(C=NNC(=O)c2ccccc2O)ccc1OCc1ccc(Cl)c(Cl)c1 2323094350 IJGUBWLULZESDB-UHFFFAOYSA-N 459.329 5.441 50 10 JKGE O=C(NN=Cc1cccc(Cl)c1Cl)c1ccc(Nc2nc(O)c3ccccc3n2)cc1 2323766082 JDWVEVRKRVQNML-UHFFFAOYSA-N 452.301 5.150 50 10 JKGE O=C(c1cc(Br)sc1Br)N1CC[C@H]2C[C@H](Br)CC[C@H]21 2328611172 FZZVCCVMRUZKBL-QXFUBDJGSA-N 472.040 5.051 50 10 JKGE Cc1ccc(C)c(N2C(=O)c3ccc(C(O)=C(C#N)c4nc(-c5ccccc5)cs4)cc3C2=O)c1 2331300945 COVODNQZAMRXLB-UHFFFAOYSA-N 477.545 6.177 50 10 JKGE COc1ccc(C(C)(C)C)cc1-c1csc(C(C#N)=C(O)CCCOc2c(C)cccc2C)n1 2331350727 OXTRCGMJTCIVRU-UHFFFAOYSA-N 476.642 7.385 50 10 JKGE COc1cc(C)c(-c2csc(C(C#N)=C(O)Cc3ccc(Br)cc3)n2)cc1C(C)C 2331352095 CTVPHDIHPPDHAF-UHFFFAOYSA-N 483.431 7.048 50 10 JKGE COc1cc(C)c(-c2csc(C(C#N)=C(O)c3ccc(Cl)c([N+](=O)[O-])c3)n2)cc1C(C)C 2331356049 IQGKOAZJBMOETE-UHFFFAOYSA-N 469.950 6.762 50 10 JKGE CCCOc1ccc(CC(O)=C(C#N)c2nc(-c3ccc(Oc4ccccc4)cc3)cs2)cc1 2331358559 MHADSMYWPWMCAS-UHFFFAOYSA-N 468.578 7.427 50 10 JKGE COc1cc(OC)c(-c2csc(C(C#N)=C(O)Cc3cc(Cl)ccc3Cl)n2)cc1Cl 2331377592 PWBOPOFHXAIWDR-UHFFFAOYSA-N 481.788 6.823 50 10 JKGE CCOc1ccc(-c2csc(C(C#N)=C(O)COc3ccc(C)cc3C)n2)c(OCC)c1 2331386489 FJLVSHCQKNMSSU-UHFFFAOYSA-N 450.560 6.096 50 10 JKGE COc1cc(Cl)c(C)cc1-c1csc(C(C#N)=C(O)C=Cc2ccc(Cl)c(Cl)c2)n1 2331390641 WYABYZITRXEKHG-UHFFFAOYSA-N 477.800 7.593 50 10 JKGE COc1ccc(-c2csc(C(C#N)=C(O)[C@H]3CC(=O)N([C@H](C)c4ccccc4)C3)n2)cc1Cl 2331398318 HJHJOQARDAHSFF-QAPCUYQASA-N 479.989 5.874 50 10 JKGE COc1cc(C=C(C#N)c2nc(-c3ccc(Cl)s3)cs2)ccc1OCCN1CCOCC1 2331483989 AMTXMCCGLRJCEQ-UHFFFAOYSA-N 488.034 5.309 50 10 JKGE COc1cc(F)ccc1[C@@H](Br)c1cc(Br)ccc1OCc1ccccc1 2336043838 IQWQFNPDFXOSKW-OAQYLSRUSA-N 480.171 6.660 50 10 JKGE CSc1ccccc1[C@H](Br)c1c(F)cc(Cl)c(Br)c1Cl 2360492339 KUDMSNQVBZGBRN-LBPRGKRZSA-N 459.005 7.101 50 10 JKGE Fc1c(Br)cc(Cl)c([C@H](Cl)C[C@@H]2CCCC2(F)F)c1Br 2362229363 SJGFIFNIZPGXJF-POYBYMJQSA-N 454.939 7.110 50 10 JKGE Fc1ccc([C@@H](Br)c2c(Cl)cc(Br)c(F)c2Br)c(F)c1 2362231760 YYUQNKMBAFEEDS-LLVKDONJSA-N 493.342 6.767 50 10 JKGE Cc1cc(CBr)cc(C)c1OCc1ccc(Cl)c(I)c1 2362427132 GCHPDZVPAGORCF-UHFFFAOYSA-N 465.556 6.035 50 10 JKGE CC[C@H](CC(F)(F)F)[C@@H](Br)c1c(C)cc(Br)c(F)c1Br 2365187162 XRUZFIBYNJUTFB-GMSGAONNSA-N 484.951 7.074 50 10 JKGE CC[C@@H](CC(C)C)[C@H](Br)c1c(C)cc(Br)c(OC)c1Br 2365189834 YXMGPMSPDPIBTL-FZMZJTMJSA-N 471.071 7.037 50 10 JKGE COc1c(Br)cc(C)c([C@@H](Br)[C@H](C)C2CCCC2)c1Br 2365191751 QWJMAJULQBNGGQ-YGRLFVJLSA-N 469.055 6.791 50 10 JKGE Fc1ccc([C@@H](CBr)OCc2ccc(Cl)cc2I)cc1 2365646389 YRZQZWOQITULDZ-OAHLLOKOSA-N 469.519 5.737 50 10 JKGE N#C/C(=C/c1ccc(-c2ccc(Br)cc2)o1)C(=O)Nc1ccc(Br)cc1F 867477 JPZMKCSUPSUKKQ-LCYFTJDESA-N 490.126 6.156 50 10 JKGE C/C(=N/NC(=O)CSc1nc2ccccc2n1Cc1ccc(Cl)cc1)c1ccc(Cl)cc1 19833223 NEZKTXIYCDMAKA-NTFVMDSBSA-N 483.424 6.024 50 10 JKGE N#C/C(=C(/Nc1ccccc1)SCc1c(F)cccc1Cl)S(=O)(=O)c1ccccc1 20325106 KQLKLOIPWDJTCO-QURGRASLSA-N 458.967 5.991 50 10 JKGE CCc1cccc(C)c1N/C(SCc1ccc(F)cc1)=C(/C#N)S(=O)(=O)c1ccccc1 20325595 DAYCJCPSQGNDLK-WJTDDFOZSA-N 466.603 6.208 50 10 JKGE C/C(=N\NC(=O)COc1c(C)cc(Br)cc1Br)c1ccc2ccccc2c1 33488912 ZIKDUPAIHKCAMO-ZVHZXABRSA-N 490.195 5.592 50 10 JKGE COc1ccc(/C(C#N)=C/c2ccc(-n3nc(-c4ccccc4)cc3-c3ccccc3)cc2)cc1OC 33568607 ZAFUFNWOOGJULT-ZXVVBBHZSA-N 483.571 7.288 50 10 JKGE CCOC(=O)c1c(NC(=O)/C(C#N)=C/c2ccc(-c3nc4ccccc4s3)o2)sc(C)c1C 34688729 WAPXILPECNGUAZ-RVDMUPIBSA-N 477.567 5.957 50 10 JKGE CC(C)(C)c1ccc(N2C(=O)CS[C@H]2c2ccc(NC(=O)[C@@H](Cl)c3ccccc3)cc2)cc1 35928130 HIHVVLTUJOWNLQ-AHWVRZQESA-N 479.045 6.681 50 10 JKGE COc1ccccc1OCC(=O)Oc1ccc2c(c1)OC(N)=C(C#N)[C@@H]2c1ccc(Cl)cc1Cl 38655222 SQZXBWRBHNIPOD-XMMPIXPASA-N 497.334 5.205 50 10 JKGE Cc1c(C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@H]3c2ccco2)oc2cc(Br)ccc12 38688530 NCXLZLKMDUNRLT-NRFANRHFSA-N 491.297 5.534 50 10 JKGE CCCCCCOc1ccc(/C=C(\C#N)C(=O)Nc2sc3c(c2C(=O)OC)CCCC3)cc1OC 39991857 OTQZSUIBKAAUDT-XDJHFCHBSA-N 496.629 5.927 50 10 JKGE O=C(NNc1ncnc(NC23CC4CC(CC(C4)C2)C3)c1[N+](=O)[O-])C(c1ccccc1)c1ccccc1 40621694 VXDBGCXGUWSEDX-UHFFFAOYSA-N 498.587 5.041 50 10 JKGE O=C(N/N=C(/CSc1nc2ccccc2s1)c1ccc2ccccc2c1)c1ccccc1Cl 59460718 CXLWJNQQDDXKNJ-FAJYDZGRSA-N 488.037 7.029 50 10 JKGE Cc1cc([C@@H](Br)c2cc(Cl)c(Br)cc2F)sc1Br 97895785 XNHQKUPZPHAXST-NSHDSACASA-N 477.418 6.858 50 10 JKGE COc1ccc([C@@H](Br)c2cc(Cl)c(Br)cc2F)cc1Br 97896114 ZRBBWFOUOHTARA-CQSZACIVSA-N 487.388 6.497 50 10 JKGE COc1ccc([C@@H](C(=O)NC2CCC(C)CC2)N(CCC2=CCCCC2)C(=O)CCl)cc1OC 97914828 CPDLZNNAMNRQAZ-ZWNWOPDOSA-N 491.072 5.398 50 10 JKGE CCCCCCCC(O)(CCCCCCC)C(=O)NN(C(=O)c1ccccc1)c1cccc(C)c1C 97997073 HYJQZKQDOZEZMS-UHFFFAOYSA-N 494.720 7.434 50 10 JKGE CCOc1ccc(N2C(=O)[C@H](Cc3ccccc3C)S/C2=C(/C#N)C(=O)NCc2ccccc2)cc1 101241178 VLWJQOLLLRPPJU-HFVAWESISA-N 497.620 5.136 50 10 JKGE CC[C@@H](C)N1C(=O)C(C#N)=C(C)/C(=C\c2cn(-c3ccccc3)nc2-c2ccc3c(c2)C[C@@H](C)O3)C1=O 101334240 SUGPQLCFTFYWJZ-SJBUVWAJSA-N 492.579 5.253 50 10 JKGE O=C(/C=C\c1ccc(C[P+](c2ccccc2)(c2ccccc2)c2ccccc2)o1)c1ccco1 102939855 WPTTVPWUEXPYFI-MRCUWXFGSA-N 463.493 6.263 50 10 JKGE COc1cccc(F)c1[C@@H](Br)c1cc(Br)ccc1Br 115071163 CRALNWFFCBBWKB-AWEZNQCLSA-N 452.943 5.844 50 10 JKGE Brc1ccc(C[C@@H](Br)c2csc(I)c2)cc1 118884391 SWIGFXRXDRWXRH-LLVKDONJSA-N 471.983 5.794 50 10 JKGE CCCCCCCCC[C@@H](Br)c1cc(Br)c(C)cc1Br 128792912 SYRUVSQIXZASOC-OAHLLOKOSA-N 469.099 8.097 50 10 JKGE Cc1cc([C@H](Br)c2cc(Br)c(Br)s2)cc(C)c1F 128876719 HZTDFFOLJFQCHL-NSHDSACASA-N 457.000 6.513 50 10 JKGE COc1cc(Br)ccc1[C@H](Br)c1ccc(F)c(Br)c1 135309161 HGYCXFTZDMTBOS-CQSZACIVSA-N 452.943 5.844 50 10 JKGE N#C/C(=C/Nc1cc(C(F)(F)F)cc(C(F)(F)F)c1)C(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1 217229392 KNJMUWNDYZQUJC-HJWRWDBZSA-N 478.736 5.744 50 10 JKGE C[C@@H]1CCC[C@H](NC(=O)[C@H](c2ccc(F)cc2)N(Cc2cccs2)C(=O)CCl)[C@@H]1C 230275797 QMKGVXLWWQBNPZ-ZDRLFVKYSA-N 451.007 5.137 50 10 JKGE O=c1[nH]c2ccc([C@@H](Br)c3ccc(Br)cc3Br)cc2o1 232454779 GVZNNKHVTBMUNF-CYBMUJFWSA-N 461.935 5.130 50 10 JKGE COc1cccc(C[C@H](Cl)c2cc(I)ccc2Br)c1 234993051 VRPOSPNNDFNYQU-HNNXBMFYSA-N 451.529 5.585 50 10 JKGE O=[N+]([O-])c1ccc(C[C@H](Cl)c2cc(I)ccc2Br)cc1 236019475 QNQWVYVOFSUHHU-AWEZNQCLSA-N 466.500 5.485 50 10 JKGE CCOC(=O)c1c(N=Cc2cc([N+](=O)[O-])ccc2OC(=O)c2ccccc2)sc2c1CCCC2 252591366 BANSFMZXNXQVER-UHFFFAOYSA-N 478.526 5.682 50 10 JKGE CCOC(=O)NN=C1C=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 254294357 ZGBFIPQSPKDRKC-LBCYFNOUSA-N 454.655 6.427 50 10 JKGE O=C(NN=Cc1c(O)c(Br)cc2oc3c(c12)CCCC3)c1sc2ccccc2c1O 254858924 XZDVUTKIGIXGAN-UHFFFAOYSA-N 485.359 5.464 50 10 JKGE FC(F)(F)c1csc([C@@H](Br)c2cscc2Br)c1Br 404703016 GWZZAXYTLBDZIG-ZETCQYMHSA-N 484.982 6.838 50 10 JKGE CCCCCCCCCCCCCCCCCCC(=O)OC[C@H](CO[Si](C)(C)C)OC(C)=O 504633376 RAQFOCAJSYMLET-AREMUKBSSA-N 486.810 7.964 50 10 JKGE CN(C(=O)OC(C)(C)C)c1cccc([C@@H]2CN(CCO[Si](C)(C)C(C)(C)C)c3ccccc3N2)c1 616584177 OOSVSJYTDDGOCD-DEOSSOPVSA-N 497.756 7.053 50 10 JKGE CC(C)(C)[Si](C)(C)OCCc1cccc([C@H]2CCCN(S(=O)(=O)c3ccccc3)C2)c1 616610647 KYKFEFQLWKXYOG-QHCPKHFHSA-N 459.728 5.819 50 10 JKGE FC(F)(F)c1csc([C@H](Br)CC(F)(F)C(F)(F)F)c1Br 713187807 MKVGYZPAWAKDBL-SCSAIBSYSA-N 455.990 6.553 50 10 JKGE Clc1cccc(COc2cccc(Br)c2CBr)c1Br 719394622 NIYPKRGWIISWPG-UHFFFAOYSA-N 469.398 6.339 50 10 JKGE O=C(c1ccc(I)c(Br)c1)[C@H](Cl)c1ccc(F)cc1 721305088 WEDSUGWUEHXSIV-CYBMUJFWSA-N 453.476 5.356 50 10 JKGE Cc1ccc(-n2c(C)c(Br)c(C=NNC(=O)CSCc3cc(C)cc(C)c3)c2C)cc1 1084274175 ZQBMMFRQLLGCEB-UHFFFAOYSA-N 498.490 6.165 50 10 JKGE COc1cc(C=NNC(=O)COc2ccc(C(C)(C)C)cc2Br)ccc1OC(C)C 1772755708 PQTASIAYDUBSGL-UHFFFAOYSA-N 477.399 5.072 50 10 JKGE CC(C)(C)c1ccc(NC(=O)COc2cccnc2NC(=O)Nc2ccc(SC#N)cc2)cc1 1858835799 PJNXJUOOIOOXLL-UHFFFAOYSA-N 475.574 5.614 50 10 JKGE COc1ccc(-c2nn(-c3ccc(Cl)cc3)c3c2[C@H](c2ccc(N(C)C)cc2)C(C#N)=C(N)O3)cc1 1865683763 OWWYCLXIWDAKOY-XMMPIXPASA-N 497.986 5.485 50 10 JKGE C=CCOc1ccccc1[C@H]1C(C#N)=C(N)Oc2c1c(-c1ccccc1)nn2-c1ccccc1Cl 1865691378 QMOHQHBSYUSPLK-DEOSSOPVSA-N 480.955 5.976 50 10 JKGE CCCc1nn(Cc2ccccc2F)c2c1[C@@H](c1ccc(OC(C)C)c(OC)c1)C(C#N)=C(N)O2 1865697390 RBMYQQWUUJPEJQ-DEOSSOPVSA-N 476.552 5.037 50 10 JKGE COc1ccc(-c2nn(Cc3ccc(Cl)cc3)c3c2[C@H](c2cccs2)C(C#N)=C(N)O3)cc1 1865698506 VSIPAOKRVRXGAD-NRFANRHFSA-N 474.973 5.540 50 10 JKGE N#C/C(=C\c1ccc(Br)cc1)C(=O)NC1(c2ccc(Br)cc2)CCC1 1866128652 DISYCDCFMSLMDG-NTCAYCPXSA-N 460.169 5.314 50 10 JKGE CC[C@@H](NC(=O)[C@H](c1ccc(Cl)cc1)C1CCCC1)C(=O)Nc1ccc(SC#N)cc1 1867006322 TUDXBNWZSPUMKZ-YADHBBJMSA-N 456.011 5.720 50 10 JKGE CCCCCCCOc1ccc(-c2csc(/C(C#N)=C(\O)c3ccccc3Cl)n2)cc1 1872753481 ZENBPGNXOLWNRY-FLFQWRMESA-N 453.007 7.763 50 10 JKGE CCCCOc1ccc(/C(O)=C(\C#N)c2nc(-c3ccc(OC)c(C)c3C)cs2)cc1OCC 1872754268 KOSQORFQIMMBGZ-QLYXXIJNSA-N 478.614 6.963 50 10 JKGE N#C/C(=C(/O)CNC(=O)c1ccc(Cl)cc1)c1nc(-c2cc(Cl)ccc2Cl)cs1 1872758205 PPRHRCATSWHNFH-SDXDJHTJSA-N 464.761 5.993 50 10 JKGE N#C/C(=C\c1ccc(OCc2ccc(Cl)cc2)cc1)c1nc(-c2ccc3c(c2)OCCO3)cs1 1872791375 HPMOGDABTCKFCC-FYJGNVAPSA-N 486.980 6.878 50 10 JKGE CCCOc1ccc(/C=C(\C#N)c2nc(-c3cc(C(C)(C)C)ccc3C)cs2)cc1OCC 1872794317 VGWPLWWXODFJJE-KGENOOAVSA-N 460.643 7.668 50 10 JKGE CCCOc1ccc(-c2csc(/C(C#N)=C(\O)Cc3ccc(F)cc3F)n2)cc1OCCC 1872818171 PYNQBOIJHNHVNA-QOCHGBHMSA-N 470.541 6.701 50 10 JKGE O=C(c1scc(Br)c1Br)N1CC2(CCCC2)C[C@H]1CBr 1912776414 JTYARWOBGHQODL-VIFPVBQESA-N 486.067 5.443 50 10 JKGE C[C@@H](CBr)N(Cc1ccccc1)C(=O)c1cc(Br)c(Br)s1 1914211594 FDLBGAVLQFZMNU-JTQLQIEISA-N 496.062 5.699 50 10 JKGE C[C@@H](CCBr)N(Cc1ccccc1)C(=O)c1ccc(I)cc1 1915114827 JHAOCMAVNVFFEK-AWEZNQCLSA-N 472.164 5.107 50 10 JKGE CCCOc1cccc([C@@H](Br)c2sc(Br)c(C)c2Br)c1 1922880544 FDIDALYMHIIDRB-CYBMUJFWSA-N 483.063 6.855 50 10 JKGE COc1ccc(C[C@@H](Br)c2sc(Br)c(C)c2Br)cc1 1922899274 BCAKQORVZKRFPC-LLVKDONJSA-N 469.036 6.269 50 10 JKGE Cc1c(Br)sc([C@@H](Br)Cc2cccc(F)c2)c1Br 1922945601 HZGHYPWJXZSWOH-JTQLQIEISA-N 457.000 6.399 50 10 JKGE Cn1nc([C@H](Cl)c2c(Br)sc(Br)c2Cl)cc1Br 1923038194 HQZIOSUJYNXDOL-LURJTMIESA-N 483.838 5.751 50 10 JKGE Clc1c(Br)sc(Br)c1[C@H](Cl)c1ccoc1Br 1923048119 FQZJWDVKHVJAEL-RXMQYKEDSA-N 469.807 6.610 50 10 JKGE Clc1ccccc1C[C@@H](Br)c1c(Br)sc(Br)c1Cl 1923055372 SIPGMLGGVDNVNT-SSDOTTSWSA-N 493.873 7.259 50 10 JKGE Cc1cc([C@H](Br)c2c(Br)sc(Br)c2Cl)c(F)cc1F 1923068246 OXEYJUOPHMSWJE-VIFPVBQESA-N 495.408 6.997 50 10 JKGE CC(C)(C)OC(=O)NC[C@@H]1CCCC2(CCC2)[C@]12CC[C@@](C)(CI)O2 1924790811 LFEXCOPZXYBALN-QSFXBCCZSA-N 463.400 5.224 50 10 JKGE Cc1cccc([C@H](Cl)c2c(Cl)sc(Cl)c2Cl)c1I 1925587301 IIMSDSZVRWWHCG-QMMMGPOBSA-N 451.971 6.950 50 10 JKGE Fc1cccc([C@H](Cl)c2c(Cl)sc(Br)c2Cl)c1Br 1925588725 PUZIQGHZQYADRJ-QMMMGPOBSA-N 453.385 7.047 50 10 JKGE Clc1sc(Cl)c([C@@H](Br)c2cccc(OCc3ccccc3)c2)c1Cl 1925599717 OMOJYPCXPXJHLE-HNNXBMFYSA-N 462.623 7.772 50 10 JKGE C[C@@H]1CCN(Cc2ccccc2)CCN1c1cc(Br)ccc1CBr 1947756049 SCZIEMUGHSBIKK-MRXNPFEDSA-N 452.234 5.445 50 10 JKGE CC1(C)CC(C[C@@H](Cl)c2c(Br)sc(Br)c2Br)C1 1949733813 LPYZIFHVEAQNCH-SSDOTTSWSA-N 465.476 7.142 50 10 JKGE Clc1cc(Br)c([C@H](Br)c2cc(Br)c(Cl)s2)s1 1981401335 IHZMQZJXGCSKBX-SSDOTTSWSA-N 485.875 7.126 50 10 JKGE CC1(C)CC2(CC([C@H](Br)c3cc(Br)c(Br)s3)C2)C1 2039421191 KDMPTCRRZYMASZ-NSHDSACASA-N 457.069 6.926 50 10 JKGE N#CC(=Cc1c(-c2ccc(Cl)cc2)nc2sc3c(n12)CCCC3)c1cccc(Cl)c1 2040742156 HJICOQFLCPAXCT-UHFFFAOYSA-N 450.394 7.313 50 10 JKGE Cc1c(Br)sc([C@@H](Br)C[C@H]2COC(C)(C)C2)c1Br 2041482484 LLWWECTWFNLUEE-BDAKNGLRSA-N 461.057 6.223 50 10 JKGE COc1cccc(N2C(c3ccc4c(c3)OCCO4)=CSC2=C(C#N)c2nc3ccccc3s2)c1 2053623106 FONMQQAJFHSRNK-UHFFFAOYSA-N 497.601 6.520 50 10 JKGE Cc1c(Br)sc([C@H](Br)C[C@@H]2CCC[C@H]3C[C@@H]23)c1Br 2057347870 YJXSWYAPEMCTTM-UKKRHICBSA-N 457.069 6.844 50 10 JKGE COc1ccc([C@@H](Cl)c2c(Br)sc(Br)c2Cl)cc1Cl 2107098252 HKRUCMJVZXDWHW-SECBINFHSA-N 465.421 6.917 50 10 JKGE Cc1cc(Br)c(C)c([C@@H](Br)C(F)(F)C(F)(F)F)c1Br 2136380497 VAIMKBJMJYRGSK-SECBINFHSA-N 474.887 6.462 50 10 JKGE COc1cc(Cl)c([C@@H](Br)c2cc(C)c(Br)o2)cc1Br 2137664407 YXHAWDZSNZQLEO-GFCCVEGCSA-N 473.386 6.259 50 10 JKGE CC1(C)CCCC[C@@]1(CBr)Cc1ccc(I)c(Cl)c1 2142957750 OERJKOBFFMUEAP-INIZCTEOSA-N 455.605 6.469 50 10 JKGE C[C@H](Cl)c1nc2cc(I)c(F)cc2n1C1(CCOCc2ccccc2)CC1 2146504524 BXCYFMWZYCMGRY-AWEZNQCLSA-N 498.767 6.176 50 10 JKGE COc1ccc([C@@H](Br)c2cc(C3CC3)c(Br)s2)cc1Br 2151032069 JQRFWOWQCOOWOP-CQSZACIVSA-N 481.047 6.643 50 10 JKGE Fc1cc(Cl)c(Br)cc1[C@H](Br)c1csc(C(F)(F)F)c1 2154108526 JZJDGPLHOKBUEV-LLVKDONJSA-N 452.492 6.806 50 10 JKGE C[C@H](c1cccs1)N(Cc1ccccc1)S(=O)(=O)c1cc(F)ccc1CBr 2179787801 UHOWHDHNBJVSDS-OAHLLOKOSA-N 468.413 5.734 50 10 JKGE Cc1cc(Br)c(CBr)c(N2CC[C@@H]3OCCN(Cc4ccccc4)[C@H]3C2)c1 2185517717 YMNCKJLLEGIGIC-VXKWHMMOSA-N 494.271 5.132 50 10 JKGE CN(c1cc(Br)cc(F)c1CCl)[C@@H]1C[C@@H]2C[C@@H](OCc3ccccc3)C[C@H]21 2190537640 QHSZQUWMFPKAIL-NWUWZPLHSA-N 452.795 6.147 50 10 JKGE COc1c(C)cc(Br)cc1[C@H](Cl)c1cccc(C)c1I 2206586589 LDUVZOTUYGEFLK-CQSZACIVSA-N 465.556 6.007 50 10 JKGE COc1ccc(C[C@H](Cl)c2ccc(Br)cc2I)cc1F 2207265546 SIRBNFFWQJTOEK-LBPRGKRZSA-N 469.519 5.724 50 10 JKGE C[C@H](Cn1c(CCl)nc2cc(Br)c(Br)cc21)N(C)Cc1ccccc1 2218661364 HWFWCEJWZFTCEK-CYBMUJFWSA-N 485.651 5.821 50 10 JKGE Cc1sc([C@@H](Cl)c2c(Br)sc(Br)c2Br)c(C)c1C 2221244310 BPMAJJQQFLBWHQ-VIFPVBQESA-N 493.511 7.351 50 10 JKGE Clc1cc(Br)c([C@H](Br)C[C@@H]2CCC[C@@H]3C[C@@H]23)c(Cl)c1Cl 2232512643 OFJCRQKUVKYVMQ-UTINFBMNSA-N 461.452 7.672 50 10 JKGE Cc1cc2sc([C@H](Cl)c3cc(Br)c(Br)cc3F)cc2s1 2233976970 RNPNGVQLYFCOKC-CQSZACIVSA-N 454.611 7.264 50 10 JKGE Cc1cc([C@@H](Br)c2scc(Br)c2Cl)sc1Br 2242671645 VPNUEKMWYDHCQD-SSDOTTSWSA-N 465.457 6.781 50 10 JKGE Cc1cc(Cl)c(Cl)cc1[C@H](Br)c1cc(Br)c(Br)s1 2253408825 KUZDZLFQXBVPGJ-NSHDSACASA-N 493.873 7.373 50 10 JKGE Cc1nn(C)c(Br)c1[C@@H](Br)c1sc(C)c(C)c1Br 2253470396 WLKRTZKKFIBDLK-SNVBAGLBSA-N 457.029 5.416 50 10 JKGE COc1cc(Cl)c([C@H](Br)c2cc(Br)co2)cc1Br 2258147376 LOSVKLQEEBQBSI-LBPRGKRZSA-N 459.359 5.951 50 10 JKGE CS(=O)(=O)c1cscc1[C@@H](Br)c1cc(Cl)c(Br)s1 2260097111 XDNMUWKLLYMPBI-SECBINFHSA-N 450.626 5.113 50 10 JKGE COc1c(Br)cc(Cl)cc1[C@H](Br)c1cncc(Br)c1 2264353020 YXJIQIDGLLFDRI-GFCCVEGCSA-N 470.386 5.753 50 10 JKGE CCc1cc([C@@H](Br)c2cc(C)c(Br)c(C)c2)sc1Br 2267759780 SHXMGGKTLYWCPM-AWEZNQCLSA-N 467.064 6.937 50 10 JKGE Clc1cc(Br)ccc1C[C@H](Br)c1cccc(Cl)c1Br 2267969592 QGCQHZZNDVWIEC-NSHDSACASA-N 487.844 7.197 50 10 JKGE COc1c([C@@H](Cl)c2cscc2OCc2ccccc2)cc(Br)c(C)c1C 2269110285 MHQUVFMZCKPIDT-HXUWFJFHSA-N 451.813 7.043 50 10 JKGE Cc1c(Br)ccc([C@H](Br)[C@@]23CCCC[C@@H]2CC3)c1Br 2273343770 OYWGDVCKRWBSNP-XFBWCDHKSA-N 451.040 6.926 50 10 JKGE Cc1cc(Br)c([C@@H](Cl)c2cccc(F)c2I)c(C)c1F 2279157334 QETCZIWRTLPTQS-ZDUSSCGKSA-N 471.510 6.277 50 10 JKGE COc1ccc([C@H](Br)c2cc(Cl)cc(F)c2F)cc1I 2285004557 CFFFCTZQZHUOQR-ZDUSSCGKSA-N 473.482 5.716 50 10 JKGE CC[C@]12CO[C@]([C@H](Br)c3c(F)cc(Br)c(F)c3Br)(C1)C2 2288487917 BTXRPGDKAZRISU-MCIONIFRSA-N 474.965 5.885 50 10 JKGE COc1c(Br)cc([C@H](Br)c2csnc2Br)c(OC)c1C 2295436327 BDPTWGQKDCKOLP-JTQLQIEISA-N 486.023 5.478 50 10 JKGE CCCCCCCCCCOC(=O)C(C#N)=Cc1ccc(-c2ccc(Br)cc2)o1 2295891355 DITWUSVWQUROML-UHFFFAOYSA-N 458.396 7.300 50 10 JKGE N#CC(=CNc1ccc(Cl)cc1C(F)(F)F)c1nc(-c2ccc([N+](=O)[O-])cc2)cs1 2296790168 UFHXFQRNUIHJMW-UHFFFAOYSA-N 450.829 6.367 50 10 JKGE N#CC(C(=O)NCc1ccco1)=C1S[C@H](Cc2ccc(Cl)c(Cl)c2)C(=O)N1c1ccccc1 2296834793 BJXIWIZOIBIGIK-OAQYLSRUSA-N 498.391 5.329 50 10 JKGE N#CC(=Cc1ccc(OC(=O)c2ccc(Cl)cc2)cc1)C(=O)Nc1ccc([N+](=O)[O-])cc1Cl 2297551491 NTSLMPNTYSYYOC-UHFFFAOYSA-N 482.279 5.666 50 10 JKGE FC1(F)C[C@]12C[C@@H]2[C@H](Br)c1ccc(OCc2ccccc2)cc1Br 2299487925 BBAWGOPAKNKWLD-NXHRZFHOSA-N 458.140 6.509 50 10 JKGE CCN(C[C@](C)(CI)O[C@@H]1CCCC[C@@H]2C[C@H]21)C(=O)OC(C)(C)C 2302674136 YTOMMIJJTWSQLD-NNFUDEMPSA-N 451.389 5.032 50 10 JKGE Brc1cc([C@@H](Br)[C@@H]2C[C@H]2C2CCCCC2)sc1Br 2311501914 BWCLRBJEDFAZSV-CWSCBRNRSA-N 457.069 6.926 50 10 JKGE COc1cc(C=C(C#N)C(=O)Nc2ccc(Cl)c(Cl)c2)ccc1OCc1ccc(F)cc1 2313631900 YMGJNTGESQZJGX-UHFFFAOYSA-N 471.315 6.266 50 10 JKGE CC[C@H](C[C@H](Br)c1cc(Br)ccc1OCc1ccccc1)C(C)(C)C 2314497915 OWAOEUUKBFSQJX-XLIONFOSSA-N 468.273 7.927 50 10 JKGE CCOC(=O)c1c(NC(=O)C(C#N)=Cc2ccc(-c3ccccc3)o2)sc2c1CC[C@@H](CC)C2 2314572126 TWTNALLRISJBHJ-QGZVFWFLSA-N 474.582 6.245 50 10 JKGE CNC(=O)C(C#N)=C1S[C@@H](Cc2cccc(Cl)c2Cl)C(=O)N1c1ccc(C(C)C)cc1 2314593053 GMFULBFTUGUREW-IBGZPJMESA-N 474.413 5.289 50 10 JKGE COc1c(Cl)cc(CO[C@@](C)(CBr)CNC(=O)OC(C)(C)C)cc1Cl 2317771612 SIBVBQWRHPQNJS-KRWDZBQOSA-N 457.192 5.197 50 10 JKGE Brc1cccc(Br)c1CO[C@H]1CCCCC[C@@H]1I 2318172587 LGCPPWQZFMJQQI-KBPBESRZSA-N 488.001 5.865 50 10 JKGE N#CC(=CNc1ccc(I)cc1)C(=O)Nc1ccc(Oc2ccccc2)cc1 2318463108 WVGHGXKYNKGZQX-UHFFFAOYSA-N 481.293 5.542 50 10 JKGE C[C@@H]1CCCC[C@@]1(CBr)Cc1ccc(I)c(Br)c1 2325222467 SAOPHYVPQSCTBI-ABAIWWIYSA-N 486.029 6.188 50 10 JKGE FC1(F)[C@H]2C[C@H]([C@H](Cl)c3c(Br)sc(Br)c3Br)CC[C@H]21 2329710302 QUAZRMIGKQJHIO-SPPFEBNGSA-N 499.440 6.997 50 10 JKGE C[C@H](c1ccccc1)N1C[C@@H](C(O)=C(C#N)c2nc(-c3cccc(Br)c3)cs2)CC1=O 2331278835 LKRSHEORUYBXJV-QAPCUYQASA-N 494.414 5.975 50 10 JKGE CCOc1ccccc1OCC(O)=C(C#N)c1nc(-c2cccc(Br)c2)cs1 2331278913 SBEACLJAMMBDAK-UHFFFAOYSA-N 457.349 5.843 50 10 JKGE CCCOc1ccc(-c2csc(C(C#N)=C(O)c3ccc(OC(C)=O)cc3)n2)cc1OCCC 2331293564 ZIIUBLJVZBEXBD-UHFFFAOYSA-N 478.570 6.263 50 10 JKGE CCOc1ccc(C=CC(O)=C(C#N)c2nc(-c3ccc(OC)c4ccccc34)cs2)cc1 2331406501 SMNGRQLNKVUIBX-UHFFFAOYSA-N 454.551 6.877 50 10 JKGE COc1ccc(-c2csc(C(C#N)=C(O)C=Cc3cccc(Cl)c3)n2)c(OC)c1OC 2331412639 RSAXQTUCZLVGPS-UHFFFAOYSA-N 454.935 5.995 50 10 JKGE COc1ccccc1-c1csc(C(C#N)=Cc2cc(Br)c(OC(C)C)c(OC)c2)n1 2331434694 OAMMMYBHKUNCHY-UHFFFAOYSA-N 485.403 6.441 50 10 JKGE N#CC(=Cc1c(OCc2ccccc2)ccc2ccccc12)c1nc(-c2ccc(Cl)cc2)cs1 2331439992 NIXGGQCZCWLGPI-UHFFFAOYSA-N 479.004 8.260 50 10 JKGE Fc1c(Br)cc(Cl)c([C@@H](Br)[C@@H]2C(F)(F)C23CC3)c1Br 2337083681 COUSNKMHIYZCRM-SCZZXKLOSA-N 483.347 6.485 50 10 JKGE Clc1cc(I)c([C@@H](Br)[C@H]2CCCc3ccccc32)s1 2338558903 QEGGRGCXVODHRZ-FZMZJTMJSA-N 467.597 6.562 50 10 JKGE COc1ccc(CC(=O)N(Cc2ccccc2)C2(CBr)CCC2)c(Br)c1 2338817464 PXPAQAVKWPTZRA-UHFFFAOYSA-N 481.228 5.347 50 10 JKGE C=CC[C@]1(CBr)CCCN1Cc1cc(I)ccc1Cl 2352429023 BTWOKTJCJCOLJQ-OAHLLOKOSA-N 454.577 5.250 50 10 JKGE CCc1cc(Br)c(OC)c([C@@H](Br)c2sccc2Br)c1 2353038085 ODBPKORINGZJSW-GFCCVEGCSA-N 469.036 6.328 50 10 JKGE C[C@]1([C@H](Cl)c2c(Cl)cc(Br)c(F)c2Br)C[C@@H]1C(F)(F)F 2362231805 HFQWBZWDNYUCPP-FZYJTZEISA-N 458.902 6.873 50 10 JKGE Fc1c(Br)cc(Cl)c([C@H](Br)[C@@H]2C[C@H]2C2CCCC2)c1Br 2362233106 WNFWSABRSDIWFG-IGJMFERPSA-N 489.448 7.266 50 10 JKGE Clc1ccc(C[C@H](CBr)Cc2ccccc2Cl)cc1I 2362378105 GGKWAPQFLIPHOG-LBPRGKRZSA-N 484.002 6.394 50 10 JKGE Cc1c(Br)sc([C@@H](Br)CCc2cc(Cl)cc(Cl)c2)c1C 2366791733 CHSIMPJPBVDKKX-ZDUSSCGKSA-N 457.058 7.503 50 10 JKGE Cc1cccc(Oc2nc3c(C)cccn3c(=O)c2/C=C(/C#N)c2nc3ccccc3n2C)c1C 33588004 XVWBICABSCDOJO-HKWRFOASSA-N 461.525 5.363 50 10 JKGE C=CCOc1ccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)Cc4cccc5ccccc45)ccc32)cc1 38658175 ITRGSSBHSVBXPZ-SSEXGKCCSA-N 488.543 5.771 50 10 JKGE O=C(NNc1ncnc(Nc2cccc(Cl)c2Cl)c1[N+](=O)[O-])c1cccc2ccccc12 40646717 PNLMKGDGDNFOKW-UHFFFAOYSA-N 469.288 5.345 50 10 JKGE COC(=O)c1ccc(OC(=O)c2oc3c(c2C)/C(=N/NC(=O)c2cccc4ccccc24)CCC3)cc1 40813552 JJWJGEMOENTFRE-JJKYIXSRSA-N 496.519 5.217 50 10 JKGE COc1ccc(C(=O)N/N=C2\CCCc3oc(C(=O)Oc4cc(C)ccc4C(C)C)c(C)c32)cc1 40813889 WIWVGAGLNJOFEG-QUPMIFSKSA-N 474.557 5.718 50 10 JKGE CC(C)Cc1ccc([C@@H](C)C(=O)N/N=C2\C(=O)N(Cc3cccc4ccccc34)c3ccccc32)cc1 59157166 AXASQEUPSWQOLH-YKQNCJJESA-N 489.619 6.209 50 10 JKGE O=C(NCc1c2ccccc2cc2ccccc12)c1ccc(P(c2ccccc2)c2ccccc2)cc1 100475951 LRMFSFUQBDXKNY-UHFFFAOYSA-N 495.562 6.681 50 10 JKGE N#C/C(=C(/O)[C@H]1Cc2ccccc2C(=O)O1)c1nc(-c2ccc(Br)cc2)cs1 100990037 XCOTWPLIOCCRHP-UGDGIKRESA-N 453.317 5.147 50 10 JKGE CC1=C(C#N)C(=O)N(Cc2ccc(F)cc2)C(=O)/C1=C/c1ccc(-c2cc(Cl)ccc2Cl)o1 101340593 CJCTULNUBCKNKT-YBFXNURJSA-N 481.310 6.185 50 10 JKGE O=C(N/N=C/c1cn(-c2ccccc2)nc1-c1cccc([N+](=O)[O-])c1)c1cc2ccccc2cc1O 102621937 IFYMTXDMIYZQQD-LQKURTRISA-N 477.480 5.070 50 10 JKGE COc1ccc([C@H](Br)c2cccc(I)c2)c(Br)c1 109877283 PORDHWSSQWLNQX-CQSZACIVSA-N 481.953 5.547 50 10 JKGE CCOc1ccc(Br)cc1[C@@H](Br)c1cccc(Br)c1C 115983658 KTUASONSDSHIJV-INIZCTEOSA-N 463.007 6.403 50 10 JKGE COc1ccc([C@@H](Br)c2ccc(Br)cc2OC)c(Br)c1 160780735 CXSDWOFJSZCFKC-OAHLLOKOSA-N 464.979 5.713 50 10 JKGE CSc1ccc(Cl)cc1CC(=O)N/N=C\c1cccc(OCc2ccc(Cl)cc2)c1 169922666 NRMCLZRMJKXJAL-WGARJPEWSA-N 459.398 5.987 50 10 JKGE COc1cc(/C=C(/C#N)c2nc3ccccc3s2)cc([N+](=O)[O-])c1OCc1ccccc1C 169939395 KPZUKDKUUBQHKM-ODLFYWEKSA-N 457.511 6.165 50 10 JKGE C=C1C(=O)C[C@@H](O[Si](C)(C)C(C)(C)C)[C@@H]1/C=C/[C@H](CCCCC)O[Si](C)(C)C(C)(C)C 196020611 IGKHFOHAYMJIQY-XOIHXQNASA-N 466.855 8.049 50 10 JKGE CCCOc1ccc(/C=C(/C#N)C(=O)Nc2sc(C)c(-c3ccc(F)cc3)c2C(=O)OC)cc1 206882573 XXLHMAJEICKTRK-RGEXLXHISA-N 478.545 5.984 50 10 JKGE Cc1sc([C@@H](Br)c2ccc(Br)cc2Cl)cc1Br 227837372 ZHFUMKZQLFWERJ-LBPRGKRZSA-N 459.428 6.719 50 10 JKGE BrCc1cc(Br)c(OCOCc2ccccc2)c(Br)c1 232484665 DGKCCZVSADSLQO-UHFFFAOYSA-N 464.979 5.660 50 10 JKGE COc1cc(F)c(Br)cc1[C@@H](Br)c1sccc1Br 234868595 VNRSFQFEFBMKBN-LLVKDONJSA-N 458.972 5.905 50 10 JKGE Clc1ccc(C[C@@H](Br)c2cc(Cl)ccc2I)cc1 236045885 JHCZSMDYXQOPHI-CYBMUJFWSA-N 455.948 6.277 50 10 JKGE O=C(CCC(=O)Nc1ccc(Cl)cc1Cl)NN=Cc1c2ccccc2cc2ccccc12 252463214 ZRHFEJLTSLLUPA-UHFFFAOYSA-N 464.352 6.169 50 10 JKGE CN(C)C=NC1=C(C#N)[C@@H](c2ccc(F)cc2)c2c(-c3ccccc3)nn(-c3ccccc3)c2O1 252620188 LYZXHZFKXIOYDD-XMMPIXPASA-N 463.516 5.528 50 10 JKGE CN(C)c1ccc(C(=O)NN=Cc2c(OCc3ccccc3Cl)ccc3ccccc23)cc1 252633844 WHCWLHDXQNFGII-UHFFFAOYSA-N 457.961 5.902 50 10 JKGE COc1cc(OC)c(OC)cc1C=NNC(=O)c1ccc(CSc2cccc3cccnc23)cc1 254795948 UCZVMDWWMVNYFJ-UHFFFAOYSA-N 487.581 5.317 50 10 JKGE COc1cc(C(C)=O)ccc1OCC(=O)N(N=Cc1ccccc1)c1cccc(C(F)(F)F)c1 255472822 TZSSNLHIOYEXSY-UHFFFAOYSA-N 470.447 5.363 50 10 JKGE CCCCCC[C@H](C)O[C@]1(CI)CCCN(C(=O)OC(C)(C)C)C1 303741206 JRAWKJRLZYODDW-LPHOPBHVSA-N 453.405 5.567 50 10 JKGE CCN(C[C@](C)(CI)O[C@@H]1CC[C@H](C)[C@H](C)C1)C(=O)OC(C)(C)C 303742171 WXYNQUGHLMGTOU-MKSNKDDYSA-N 453.405 5.278 50 10 JKGE Clc1cc([C@@H](Br)c2ccccc2OCc2ccccc2)sc1Br 309886167 ZHGKGRHQKURUGU-KRWDZBQOSA-N 472.629 7.227 50 10 JKGE BrCc1cc(Br)c(OCCCOCc2ccccc2)c(Br)c1 310004490 GXZKBAXXFYSEJN-UHFFFAOYSA-N 493.033 6.092 50 10 JKGE Cc1ccc([C@H](Br)c2cc(I)cc3c2OCC3)c(Cl)c1 380342842 YWNMFZNGHHLGGM-HNNXBMFYSA-N 463.540 5.672 50 10 JKGE Fc1ccc(Br)c([C@H]2CN(Cc3ccccc3)C[C@@H]2CI)c1 382693109 PXJGRNQFJIBENM-YOEHRIQHSA-N 474.155 5.239 50 10 JKGE COc1cc([C@H](Br)c2ccccc2OCc2ccccc2)c(OC)cc1Br 383728302 HXTCZPTXERYNGK-JOCHJYFZSA-N 492.207 6.530 50 10 JKGE Brc1cscc1[C@H](Br)c1cc2c(cc1Br)OCCO2 404781513 WIRUMHRCTZESKY-CYBMUJFWSA-N 468.992 5.529 50 10 JKGE CC(C)(C)OC(=O)NCCN1CCCC[C@H](c2ccc(CCO[Si](C)(C)C(C)(C)C)cc2)C1 616628599 PGNGAOANRBIDOY-DEOSSOPVSA-N 476.778 6.345 50 10 JKGE Cc1ccc([C@@H](Br)c2ccc(F)c(Br)c2F)c(Br)c1 701058161 AVAJPNSITQJARU-GFCCVEGCSA-N 454.934 6.283 50 10 JKGE COc1ccc(C)cc1[C@H](Br)c1scc(Br)c1Br 705425647 LSLNMGRWZWUZRS-NSHDSACASA-N 455.009 6.074 50 10 JKGE Cc1cc(F)c([C@H](Br)c2scc(Br)c2Br)cc1Cl 705475905 NCUDNXHBISVADT-JTQLQIEISA-N 477.418 6.858 50 10 JKGE C[C@@H]1Cc2cc(Br)cc([C@H](Br)c3coc(Br)c3)c2O1 720055013 WJXJAABFYJDYFB-FUXBKTLASA-N 450.952 5.612 50 10 JKGE C[C@](CI)(OC1CCCCCCC1)c1ccccc1Br 721096675 AETPFPHQTKHRAZ-QGZVFWFLSA-N 451.186 6.229 50 10 JKGE COc1cccc(C=NNC(=O)c2cccc(Cl)c2)c1OCc1ccc(Br)cc1 1084074340 JHJWZXVEKMXHQQ-UHFFFAOYSA-N 473.754 5.454 50 10 JKGE O=C(CC[C@H](O)c1ccccc1)NN=Cc1cn(Cc2ccc3ccccc3c2)c2ccccc12 1084131343 JRZIHYQKRKVMTO-LJAQVGFWSA-N 461.565 5.807 50 10 JKGE COc1cc(/C=C(\C#N)C(=O)Nc2ccc(Cl)cc2Cl)ccc1OCc1cccc(C(=O)O)c1 1084278463 GVYCCABNJRAEBC-GIJQJNRQSA-N 497.334 5.825 50 10 JKGE COc1cc(/C=C(/C#N)C(=O)Nc2cccc(C(F)(F)F)c2)cc(Br)c1OC 1084309816 SQPJGRBTAIHBMW-SDQBBNPISA-N 455.230 5.031 50 10 JKGE Cc1cc(C=NNC(=O)COc2ccc(Cl)cc2Cl)c(C)n1-c1cc(Cl)ccc1Cl 1084400597 UHHSNWNLDRHEQR-UHFFFAOYSA-N 485.198 6.237 50 10 JKGE Cc1ccccc1C(=O)NN=C1CCCc2oc(C(=O)N3c4ccc(F)cc4CC[C@@H]3C)c(C)c21 1772743937 ONGLZJCEEGTFQU-KRWDZBQOSA-N 473.548 5.487 50 10 JKGE CCc1cccc(OCC(=O)NN=Cc2ccc(OCc3ccc(Cl)cc3)c(OC)c2)c1 1772753239 GZJNCGOFZKTRIY-UHFFFAOYSA-N 452.938 5.019 50 10 JKGE COc1ccc(-c2nn(Cc3cccc(Cl)c3)c3c2[C@@H](c2ccccc2)C(C#N)=C(N)O3)cc1 1865680299 GLOVIAQNASUZEL-QHCPKHFHSA-N 468.944 5.479 50 10 JKGE CCOc1cc([C@H]2C(C#N)=C(N)Oc3c2c(-c2ccc(OC)cc2)nn3-c2ccc(C)cc2)ccc1O 1865681869 YUHIYOZQLPXTQX-VWLOTQADSA-N 494.551 5.179 50 10 JKGE CCCc1nn(Cc2ccc(F)cc2)c2c1[C@@H](c1cccc(Br)c1)C(C#N)=C(N)O2 1865683246 BJDUJTXCCQEHLR-FQEVSTJZSA-N 467.342 5.004 50 10 JKGE CCc1nn(-c2ccc(Br)cc2)c2c1[C@H](c1c(F)cccc1Cl)C(C#N)=C(N)O2 1865685597 KQVOSFHWLCXABW-KRWDZBQOSA-N 473.733 5.208 50 10 JKGE COc1ccc(-c2nn(-c3ccc(Cl)cc3)c3c2[C@H](c2ccccc2Cl)C(C#N)=C(N)O3)cc1 1865685797 MZWYZKGKTCEZLB-JOCHJYFZSA-N 489.362 6.073 50 10 JKGE CCCCOc1ccc([C@H]2C(C#N)=C(N)Oc3c2c(-c2ccccc2)nn3-c2cccc(Cl)c2)cc1 1865690535 UEWMXKROFIFEQZ-VWLOTQADSA-N 496.998 6.590 50 10 JKGE CCCOc1c(OC)cccc1[C@H]1C(C#N)=C(N)Oc2c1c(CCC)nn2Cc1cccc(Cl)c1 1865693690 PYKSNAPRXONLRV-QHCPKHFHSA-N 493.007 5.553 50 10 JKGE CCOc1ccc([C@H]2C(C#N)=C(N)Oc3c2c(CC)nn3Cc2ccc(Cl)c(Cl)c2)cc1OC 1865695179 MAGLUXPHLJHEBT-QFIPXVFZSA-N 499.398 5.426 50 10 JKGE CCCc1nn(Cc2c(F)cccc2Cl)c2c1[C@@H](c1cn(C)c3ccccc13)C(C#N)=C(N)O2 1865698776 CLDGKBKABMEQBO-HSZRJFAPSA-N 475.955 5.386 50 10 JKGE N#CC1=C(N)Oc2c(c(-c3ccccc3)nn2Cc2ccc(F)cc2)[C@H]1c1ccc(F)cc1F 1865702073 MCJWNHCVSDWUTC-QFIPXVFZSA-N 458.443 5.234 50 10 JKGE CCCn1nc(C)c2c1OC(N)=C(C#N)[C@@H]2c1c(OCc2ccccc2)ccc2ccccc12 1865704515 XRTUWAKGKMIXTQ-SANMLTNESA-N 450.542 5.552 50 10 JKGE N#CC1=C(N)Oc2c(c(-c3ccccc3)nn2-c2cccc3ccccc23)[C@@H]1c1ccccc1O 1865708414 WMNVRCGLAAYARQ-RUZDIDTESA-N 456.505 5.616 50 10 JKGE N#CSc1ccc(NC(=O)[C@H](NC(=O)[C@H](Cc2ccccn2)c2ccccc2)c2ccccc2)cc1 1866696287 NZJRLQNFXYPGCG-KAYWLYCHSA-N 492.604 5.477 50 10 JKGE CC[C@](C)(NC(=O)C[C@@H](CC(C)C)c1ccc(F)cc1)C(=O)Nc1ccc(SC#N)cc1 1867105449 VVBIOZKOTCUXSP-CLOONOSVSA-N 455.599 5.842 50 10 JKGE C[C@H]1COC[C@H](C)N1c1cc(Nc2ccc(SC#N)cc2)nc(-c2ccc(C(C)(C)C)cc2)n1 1868544687 JBKHAVPXGGRCBZ-OALUTQOASA-N 473.646 6.371 50 10 JKGE COc1cc(/C=C/C(O)=C(\C#N)c2nc(-c3ccc4c(c3)OCCO4)cs2)ccc1OC(C)=O 1872750489 FJTGTKLCTKBOQX-MDPIBLAISA-N 476.510 5.021 50 10 JKGE COc1c(Cl)cc(Cl)cc1-c1csc(/C(C#N)=C(\O)c2ccc(NS(C)(=O)=O)cc2)n1 1872754109 CIHKMMGXMHWPMA-SDXDJHTJSA-N 496.397 5.447 50 10 JKGE COc1ccc(Cl)cc1-c1csc(/C(C#N)=C(\O)CNC(=O)c2ccc(Cl)cc2)n1 1872758759 PHPSCMYYOFLBFT-VLGSPTGOSA-N 460.342 5.348 50 10 JKGE CCOc1ccc(OCC)c(-c2csc(/C(C#N)=C/c3ccc(OC(=O)c4ccccc4)cc3)n2)c1 1872792720 NPLBXCLLOVIDDX-CJLVFECKSA-N 496.588 6.891 50 10 JKGE CCCOc1ccc(-c2csc(/C(C#N)=C(\O)C34CC5CC(CC(C5)C3)C4)n2)cc1OCCC 1872818107 NFQLWZPDTUNKTO-ROMGYVFFSA-N 478.658 7.397 50 10 JKGE COC(=O)c1c(NC(=O)[C@@H](C)Oc2ccc(Cl)cc2Br)sc(/C(C)=C/C#N)c1C 1873428952 YPJVJVZZCYPIRM-OFFHKIPUSA-N 497.798 5.592 50 10 JKGE Clc1ccc([C@@H](Br)c2ccc(OCc3ccccc3)cc2Br)o1 1899849638 OSQYCDAZVFCTLP-SFHVURJKSA-N 456.561 6.759 50 10 JKGE CC(C)[C@H](CBr)COc1cc(Br)cc(I)c1 1901053121 JCZKJAMADLSRNR-SECBINFHSA-N 461.963 5.100 50 10 JKGE ClCC[C@H](COCc1ccccc1)NCc1cc(I)ccc1Cl 1905034990 KDRDYVFQOJQOBO-QGZVFWFLSA-N 464.174 5.249 50 10 JKGE C[C@@H](c1ccncc1Br)[C@H](Cl)c1cc(Br)ccc1Br 1924042480 AFDBHMUPUAHNOX-RTHLEPHNSA-N 468.414 6.453 50 10 JKGE C[C@@H](c1ccncc1Br)[C@@H](Cl)c1ccc(I)c(Cl)c1 1924043523 MPDVVLFLOZKXCC-RMLUDKJBSA-N 470.963 6.186 50 10 JKGE COc1sc([C@@H](Cl)c2cc(Br)sc2Br)cc1Br 1946711154 JISPBYIJPJNJHD-QMMMGPOBSA-N 481.456 6.434 50 10 JKGE CCc1cc(Br)c([C@@H](Br)c2ccc(F)cc2Br)s1 2029232627 KKOXIMLUHDVKCQ-LBPRGKRZSA-N 457.000 6.459 50 10 JKGE Cc1ccc(C[C@H](Br)c2csc(Br)c2Br)cc1C 2032953146 CVVXMEWTTIYFNM-LBPRGKRZSA-N 453.037 6.569 50 10 JKGE Cc1cc([C@@H](Cl)c2csc(Br)c2Br)c(C)cc1Br 2032959121 URZWJFWNUNLYSR-GFCCVEGCSA-N 473.455 6.981 50 10 JKGE Cc1c(Cl)cc([C@H](Cl)c2sc(Br)cc2Br)cc1Br 2048497008 LDGKXWUBKRSPBE-NSHDSACASA-N 493.873 7.326 50 10 JKGE BrCc1ccc(N2CC[C@H]3CN(Cc4ccccc4)C[C@@H]3C2)cc1Br 2049664067 DTBVVBVKOLXFBM-RBUKOAKNSA-N 464.245 5.302 50 10 JKGE CC(C)[C@H](C)N(Cc1ccccc1)S(=O)(=O)c1ccc(CBr)c(Br)c1 2059390624 QXUUXVXRTBNVKA-HNNXBMFYSA-N 489.273 5.579 50 10 JKGE Cl[C@H](c1c(Br)sc(Br)c1Br)C12CCC(CC1)OC2 2072708199 NBZKCGUDNKQNQI-ATZMEGNHSA-N 479.459 6.275 50 10 JKGE C[C@H]1Cc2cc([C@H](Br)c3coc(Br)c3)cc(Br)c2O1 2090471581 YIAVWHZPGUIPKE-CPFSXVBKSA-N 450.952 5.612 50 10 JKGE C[C@H]1Cc2cc(Br)cc([C@H](Br)c3cscc3OCc3ccccc3)c2O1 2100093572 NXKVQMHPLFLPOT-RBZFPXEDSA-N 494.248 6.897 50 10 JKGE BrCc1cc(Br)cc(Br)c1OC[C@@H]1CC2(CC2)CO1 2110103284 MNVNQQPFWXMUOO-NSHDSACASA-N 454.984 5.054 50 10 JKGE CC1(C)C[C@H](CBr)CN(C(=O)c2csc(Br)c2Br)C1 2115962866 WQLKTYHJRZONQL-MRVPVSSYSA-N 474.056 5.156 50 10 JKGE C[C@@H](c1nscc1Br)N(C)c1ccc(CBr)c(Br)c1 2130029575 FCFJQUCODFHZMQ-QMMMGPOBSA-N 469.040 5.760 50 10 JKGE Cc1cc(Br)c(C)c([C@H](Br)c2c(C)coc2C)c1Br 2136374038 IJDDBAPHHPUFOF-OAHLLOKOSA-N 450.996 6.523 50 10 JKGE Cc1c(Br)ccc([C@H](Br)[C@@H]2C[C@H]3O[C@H]2[C@@H]2C[C@@H]32)c1Br 2138867801 YQQDJHCRMNHKPQ-DOXXECKESA-N 450.996 5.379 50 10 JKGE CC(C)OC(C)(C)CC(CBr)(CBr)c1ccccc1Br 2143499818 YBVJSGXACASYNY-UHFFFAOYSA-N 471.071 6.070 50 10 JKGE Cc1ccc(C[C@H](CBr)Cc2cccc(Br)c2Br)cc1 2148751845 LROJYLBOJAMVED-AWEZNQCLSA-N 461.035 6.316 50 10 JKGE Brc1cccc(Br)c1C[C@H]1CCc2ccccc2[C@H]1Br 2150493667 MINCYGUGENGFNJ-PXAZEXFGSA-N 459.019 6.453 50 10 JKGE C[C@H](Cl)c1nc2cc(Br)c(Cl)cc2n1C[C@H]1CCN(Cc2ccccc2)C1 2160079535 CJJYUDMGQCIBTJ-HOCLYGCPSA-N 467.238 6.274 50 10 JKGE CCOc1ccc([C@H](Br)c2nn(C)c(Br)c2C)cc1Br 2168214669 BQEJYEZMDCCEGG-LBPRGKRZSA-N 466.999 5.137 50 10 JKGE CC1(C)CCC[C@]12[C@@H](Br)C[C@@H]2Oc1c(Br)cccc1Br 2173667683 XXPHZVCSYWIKQU-HEHGZKQESA-N 467.039 6.323 50 10 JKGE COCCCN(Cc1ccccc1)S(=O)(=O)c1c(CBr)sc2ccccc12 2179825368 GJOVGMYUGATEGG-UHFFFAOYSA-N 468.438 5.024 50 10 JKGE Cc1c(CBr)cc(Cl)cc1S(=O)(=O)N(Cc1ccccc1)C1CCCCC1 2179862473 WXWFOUZUILCFQU-UHFFFAOYSA-N 470.860 6.067 50 10 JKGE Cc1ccc([C@H](Br)c2sc(Br)cc2C)cc1I 2213001095 OYTDNYGTMHWSJB-LBPRGKRZSA-N 486.010 6.216 50 10 JKGE CC[C@](C)(CCCC(C)C)O[C@H]1CN(C(=O)OC(C)(C)C)C[C@@H]1I 2213740666 MAWREEYZYUIMNW-TXPKVOOTSA-N 453.405 5.421 50 10 JKGE Cc1ccc([C@H](Cl)c2c(Cl)sc(Cl)c2Cl)cc1I 2217864584 MCQJRMGWUCTSPS-VIFPVBQESA-N 451.971 6.950 50 10 JKGE CCOCc1cc(Br)c([C@@H](Cl)c2cccc(OCc3ccccc3)c2)s1 2224769566 BICARNPOXTTYMV-FQEVSTJZSA-N 451.813 6.954 50 10 JKGE C[C@@H](Cl)c1nc2cc(Br)c(Br)cc2n1C[C@@H]1CCN1Cc1ccccc1 2225694089 QDZYKZFCDRLVMA-HIFRSBDPSA-N 497.662 6.136 50 10 JKGE Fc1ccc(I)cc1[C@@H](Cl)Cc1ccc(Br)cc1Cl 2229154619 VLPBOEPFAVXVBV-ZDUSSCGKSA-N 473.938 6.369 50 10 JKGE Clc1cc(Br)c([C@H](Br)C2(CC3CC3)CCC2)c(Cl)c1Cl 2232518144 ZZXNITAZOYTBQP-AWEZNQCLSA-N 461.452 7.816 50 10 JKGE CC(C)C[C@H](C(C)C)[C@H](Br)c1c(Br)cc(Cl)c(Cl)c1Cl 2232519419 KOWZKHUWDDCCDU-RNCFNFMXSA-N 465.484 8.164 50 10 JKGE Cc1cc(Br)c([C@@H](Cl)c2cc(Cl)cc(Br)c2)c(C)c1Cl 2232527836 FRRGABWTOIQVCV-HNNXBMFYSA-N 457.420 7.463 50 10 JKGE C[C@@](CI)(OCCCCCC1CC1)c1ccccc1Br 2238734698 GVPBDCJYYSVMLY-KRWDZBQOSA-N 451.186 6.086 50 10 JKGE Cl[C@@H](Cc1cc(Br)cc(Br)c1)c1ccc(Br)s1 2252777712 DPLZQNTZFZVJMB-JTQLQIEISA-N 459.428 6.558 50 10 JKGE COc1ccc([C@H](Br)c2cc(Br)cs2)c(Br)c1Cl 2256331013 HELLXDCYEZZTLY-JTQLQIEISA-N 475.427 6.419 50 10 JKGE Cl[C@H](c1cccc(I)c1)c1cc2sc(Br)cc2s1 2263617408 FXSUVFNOSFOIDY-CYBMUJFWSA-N 469.594 6.658 50 10 JKGE CC(C)(C)OC(=O)N1CCC[C@](CI)(OC[C@@H]2CC(F)(F)C23CCC3)C1 2266111971 LDTACFPCVQOAJP-WMLDXEAASA-N 485.353 5.033 50 10 JKGE CCC1(C)CC([C@H](Br)c2c(F)cc(Br)c(F)c2Br)C1 2272734364 MEXQLADRGHKJAX-XXCWSLKQSA-N 460.982 6.752 50 10 JKGE CC(C)(CC(F)(F)F)[C@@H](Br)Cc1cc(Br)cc(Br)c1 2277954502 FRBDKEPRRVDONW-NSHDSACASA-N 466.961 6.496 50 10 JKGE Brc1cc(Br)cc(C[C@@H](Br)[C@@H]2C[C@@H]3CCC[C@@H]3C2)c1 2277954562 YAOVUNUOAFQRNE-LMOYCYGVSA-N 451.040 6.344 50 10 JKGE Brc1cc(Br)cc(C[C@H](Br)C[C@@H]2CCC[C@H]3C[C@@H]23)c1 2277956182 PQHAERDHOGMVSI-QCQGSNGOSA-N 451.040 6.344 50 10 JKGE COc1ccc([C@H](Cl)c2sc(C)c(Br)c2C)c(Br)c1Cl 2283561887 NLABLNUGLJCLRG-LBPRGKRZSA-N 459.030 6.880 50 10 JKGE COc1ccc([C@@H](Br)c2csc3c2CCCC3)cc1I 2285007152 JSPRKIJNYLYLNO-MRXNPFEDSA-N 463.178 5.724 50 10 JKGE C[C@@H](Br)CN(CC(C)(C)C)C(=O)c1ccc(Br)cc1Br 2288079795 YVXGUBKRXNAWOP-SNVBAGLBSA-N 470.043 5.483 50 10 JKGE C=CCc1ccc(OCCOc2ccc(C=C(C#N)C(=O)Nc3cccc(C)c3)cc2OC)c(OC)c1 2293394419 VFZBUAWJDNCHQC-UHFFFAOYSA-N 498.579 5.744 50 10 JKGE Brc1cc(Br)cc(C[C@H](Br)[C@H]2C[C@H]3CCC[C@H](C3)C2)c1 2295331829 OPIMSEPXGDKPCF-IFOZYUSPSA-N 465.067 6.734 50 10 JKGE N#CC(=CNc1ccc(F)cc1)c1nc(-c2cc3cc(Br)ccc3oc2=O)cs1 2296751260 FIDGGLMRFUOYRJ-UHFFFAOYSA-N 468.307 5.795 50 10 JKGE Cc1cc(NC(=O)C(C#N)=Cc2ccc(-c3cccc(C(F)(F)F)c3)o2)n(-c2ccccc2)n1 2296832273 IEDCAQRPGLWDLS-UHFFFAOYSA-N 462.431 6.005 50 10 JKGE CCOc1cc(C=C(C#N)C(=O)Nc2nc3ccccc3s2)ccc1OCCOc1ccccc1C 2297500210 SGAASYVZBWSGDW-UHFFFAOYSA-N 499.592 6.007 50 10 JKGE Brc1cc(OCc2ccccc2)ccc1[C@H](Br)[C@]12CCCC[C@H]1C2 2299505277 VNOTUPLPLGJDTG-NDXORKPFSA-N 450.214 7.044 50 10 JKGE Cc1scc([C@@H](Br)c2cc(Br)ccc2OCc2ccccc2)c1C 2299527403 HRCPVMKNBRGZRU-FQEVSTJZSA-N 466.238 7.191 50 10 JKGE Cc1c(Cl)sc(Cl)c1[C@H](Br)c1scc(Br)c1Br 2299543293 SCDUQBITOZPUKQ-ZETCQYMHSA-N 499.902 7.434 50 10 JKGE Clc1cc(I)c([C@@H](Br)c2c(Cl)cccc2Cl)s1 2300954098 SFRTYYZXBIEZKJ-JTQLQIEISA-N 482.395 6.797 50 10 JKGE BrCCCCCCOCc1cc(I)ccc1Br 2302645941 FHBSKCIOZIJBJQ-UHFFFAOYSA-N 475.990 5.526 50 10 JKGE Cc1ccc(NC(=O)C(C#N)=Cc2cc(Cl)ccc2OCc2ccccc2Cl)c(C)c1 2313638093 ZSHCTCREFDCPEE-UHFFFAOYSA-N 451.353 6.735 50 10 JKGE CCOC(=O)c1c(NC(=O)C(C#N)=Cc2ccc(-c3c(Cl)cccc3Cl)o2)sc(C)c1C 2314482280 FNJCEFMBLGTBHC-UHFFFAOYSA-N 489.380 6.654 50 10 JKGE CCc1ccc(N2C(=O)[C@H](Cc3ccccc3F)SC2=C(C#N)C(=O)Nc2ccccc2C)cc1 2314591832 FVSOOHUEJLAATO-VWLOTQADSA-N 485.584 5.762 50 10 JKGE Cc1ccc(NC(=O)C(C#N)=C2S[C@H](Cc3ccccc3)C(=O)N2c2ccc(C(C)C)cc2)cc1 2314591950 ILNGDGCGVOFVNC-AREMUKBSSA-N 481.621 6.183 50 10 JKGE CCc1ccc(N2C(=O)[C@H](Cc3cc(C(F)(F)F)ccc3Cl)SC2=C(C#N)C(=O)NC)cc1 2314593538 OTGKPJPZADAXRY-IBGZPJMESA-N 493.938 5.093 50 10 JKGE COc1ccc(C=CC(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@H]3c2ccc(C(C)(C)C)cc2)cc1 2314634204 ANPWKCFSNSPETH-NDEPHWFRSA-N 480.564 5.830 50 10 JKGE Fc1c(Br)cc(Cl)c([C@H](Cl)c2ccsc2Cl)c1Br 2315445456 MSNMULPYKXVVLM-SECBINFHSA-N 453.385 7.047 50 10 JKGE CCCc1sc(Br)cc1[C@H](Cl)c1ccc(I)cc1 2316173901 WAGYEKZZGNKEND-CQSZACIVSA-N 455.586 6.396 50 10 JKGE COc1ccc(C(C#N)=Cc2ccc(OC(=O)c3ccc(Br)o3)c(OC)c2)cc1OC 2320506664 OVAJLHKOISKPMD-UHFFFAOYSA-N 484.302 5.351 50 10 JKGE COC(=O)c1ccc2c(O)nc(C(C#N)=Cc3cccc(OCc4ccc(Cl)cc4)c3)nc2c1 2331046406 RBOOPOKBDOLZPQ-UHFFFAOYSA-N 471.900 5.419 50 10 JKGE CCc1ccc(-c2csc(C(C#N)=C(O)CCCOc3ccc(CC)cc3Br)n2)cc1 2331245798 VQIOTQOWAHPJPI-UHFFFAOYSA-N 497.458 7.349 50 10 JKGE N#CC(=C(O)c1ccccc1Br)c1nc(-c2cccc(Br)c2)cs1 2331279305 HEZJVPMDCMPWBD-UHFFFAOYSA-N 462.166 6.285 50 10 JKGE CC(C)c1ccc(-c2csc(C(C#N)=C(O)c3ccc4c(c3)C(=O)N(C(C)C)C4=O)n2)cc1 2331340341 VFRPIMPYSZPBLO-UHFFFAOYSA-N 457.555 5.888 50 10 JKGE COc1cc(Cl)c(C)cc1-c1csc(C(C#N)=C(O)[C@H](C)Oc2ccc(C(C)C)cc2)n1 2331390117 KMLOWYBBXDLPSF-INIZCTEOSA-N 469.006 7.164 50 10 JKGE Cc1ccc(C(C)(C)C)cc1-c1csc(C(C#N)=C(O)[C@H]2CC(=O)N(Cc3ccccc3)C2)n1 2331396362 QKYYNYZJLZUOLO-FQEVSTJZSA-N 471.626 6.257 50 10 JKGE N#CC(=Cc1cc(Br)ccc1O)c1nc(-c2ccc(Cl)c(Cl)c2)cs1 2331443940 QCNJJPJVMBOREX-UHFFFAOYSA-N 452.160 6.649 50 10 JKGE Cn1cnc2sc([C@@H](Br)c3ccc(OCc4ccccc4)cc3Br)cc21 2336041578 PCDXHWJTWQLROC-IBGZPJMESA-N 492.236 6.461 50 10 JKGE Fc1c(Br)cc(Cl)c([C@H](Br)[C@@H]2CC[C@H]3C[C@H]3C2)c1Br 2337081284 UQKWYWGIPDLMST-FLNNQWSLSA-N 475.421 6.876 50 10 JKGE Cc1c(Br)ccc([C@@H](Br)[C@@H]2CC[C@H]2C(C)(C)C)c1Br 2343232022 SYFRSWQTUDEDED-HCKVZZMMSA-N 453.056 7.028 50 10 JKGE Cc1cc(Br)cc(CBr)c1OCc1sc(Cl)cc1Br 2345963783 MYLSASMNDUPCNJ-UHFFFAOYSA-N 489.454 6.709 50 10 JKGE O=C(c1cc(Br)c(Br)s1)N1CC[C@H](Br)C[C@H]1C(F)(F)F 2361452209 IMXGJANHYYDCCS-XNCJUZBTSA-N 499.972 5.204 50 10 JKGE COC[C@@H]1CC[C@H]([C@H](Br)c2c(Cl)cc(Br)c(F)c2Br)C1 2362229594 URVDTZARXABPAA-LWINAJNOSA-N 493.436 6.503 50 10 JKGE CC1(C)[C@H]2C[C@H]([C@@H](Br)c3c(Cl)cc(Br)c(F)c3Br)C[C@H]21 2362251562 BGNPCVWUBKXLNO-HZLHGAJGSA-N 489.448 7.122 50 10 JKGE CC12CC(C1)[C@@H]([C@H](Br)c1c(Br)cc(Cl)c(Cl)c1Cl)CO2 2362899811 GCUXBBSXSCQENO-RTUBUFATSA-N 463.424 6.660 50 10 JKGE Cc1cc(Br)c(F)c(Br)c1[C@H](Cl)c1cc2sccc2s1 2365175393 GQXCKWPIXDMWDJ-CYBMUJFWSA-N 454.611 7.264 50 10 JKGE COc1c(Br)cc(C)c([C@H](Br)Cc2ccccc2)c1Br 2365189469 VLYFNDGQOBJEMN-GFCCVEGCSA-N 463.007 6.207 50 10 JKGE Cc1cc(Br)c(F)c(Br)c1[C@H](Br)[C@]12CO[C@](CF)(C1)C2 2365227591 HKZUUQLROZUDEQ-IHRRRGAJSA-N 474.965 5.614 50 10 JKGE CN(CC[C@@H](Cl)c1cccs1)C(=O)c1scc(Br)c1Br 2366234834 BDCKVYJQQBNIEP-SECBINFHSA-N 457.640 5.777 50 10 JKGE ClCc1cc(Cl)cc(Cl)c1OCc1ccc(Cl)cc1I 2366706929 LTYHZTQWLMZIQM-UHFFFAOYSA-N 461.941 6.569 50 10 JKGE O=C(N[C@H](CCBr)COCc1ccccc1)c1ccc(Cl)cc1C(F)(F)F 2369432096 ZQVICDNIKJPSSJ-OAHLLOKOSA-N 464.709 5.459 50 10 JKGE Clc1ccc(I)cc1C[C@@H]1CCc2ccccc2[C@H]1Br 2380540901 CULHCMIXGNTCEF-SJCJKPOMSA-N 461.568 6.186 50 10 JKGE FC12COC(CC(CBr)(CBr)c3ccccc3Br)(C1)C2 2381167076 ZFZYWESRQHXGBQ-UHFFFAOYSA-N 471.002 5.138 50 10 JKGE CCc1cc(Br)c(OC)c([C@@H](Cl)c2cccc(I)c2)c1 2381236337 HWJMMWVHAQNDDE-HNNXBMFYSA-N 465.556 5.953 50 10 JKGE CC(C)(C)Oc1ccc([C@H](Br)c2nscc2Br)cc1Br 2381315654 QDSUHDGVYMHXIN-LBPRGKRZSA-N 484.051 6.330 50 10 JKGE N#C/C(=C/c1cccc(Oc2ccccc2)c1)c1nc(-c2ccc(C3CCCCC3)cc2)cs1 8990002 FOYUOBSNBCSVTA-ITYLOYPMSA-N 462.618 8.714 50 10 JKGE N#C/C(=C\c1ccc(OCc2ccc(F)cc2)c(Br)c1)C(=O)Nc1ccccc1 33738634 JMJCZUDNHIWZTF-LDADJPATSA-N 451.295 5.713 50 10 JKGE CCOc1ccccc1[C@@H]1C(C#N)=C(N)Oc2cc(OC(=O)COc3ccc(C(C)C)cc3)ccc21 38650554 MLQKUCATTYGHMJ-NDEPHWFRSA-N 484.552 5.411 50 10 JKGE N#CC1=C(N)Oc2cc(OC(=O)Cc3cccc4ccccc34)ccc2[C@@H]1c1ccccc1Cl 38651052 YEUNAGJXIJQWDK-MHZLTWQESA-N 466.924 5.859 50 10 JKGE CCCOc1ccccc1[C@@H]1C(C#N)=C(N)Oc2cc(OC(=O)c3ccc(OC)c(Cl)c3)ccc21 38700664 BPFLAKOFULWDPV-VWLOTQADSA-N 490.943 5.575 50 10 JKGE CCOc1cc(/C=C(/C#N)c2nc3ccccc3[nH]2)ccc1OCC(=O)Nc1ccc(Cl)c(C)c1 50568358 QWMBEHQGKVSMNU-UYRXBGFRSA-N 486.959 6.005 50 10 JKGE Cc1ccc(NC(=O)/C(C#N)=C/c2ccc(-c3ccc(Br)c(C)c3C)o2)cc1Cl 58832559 BHVOKOWAZIEMDR-MHWRWJLKSA-N 469.766 6.833 50 10 JKGE O=C(N/N=C1\C(=O)N(Cc2c(Cl)cccc2Cl)c2ccccc21)c1cccc2ccccc12 59147621 WZIMYVSKVPSGBI-OLFWJLLRSA-N 474.347 5.828 50 10 JKGE N#C/C(=C\c1cc(Br)c(Sc2ccc(Cl)cc2)o1)c1cccc(Br)c1 59249778 VBEPGTHHZCWZRG-UKTHLTGXSA-N 495.623 7.673 50 10 JKGE CCc1ccccc1NC(=O)/C(C#N)=C\c1cc(Br)ccc1OCc1cccc(Cl)c1 59296884 YNEJJYVNUSPZDT-MOSHPQCFSA-N 495.804 6.790 50 10 JKGE C=CCc1cc(/C=C(\C#N)C(=O)N2CCN(c3ccccc3)CC2)ccc1OCc1ccccc1Cl 59333247 UBHJJGBYZJMZHX-LHLOQNFPSA-N 498.026 5.903 50 10 JKGE BrCCCCCCCCCOc1ccc(Br)cc1Br 97798233 SBZOOZBUGXKCSC-UHFFFAOYSA-N 457.044 6.716 50 10 JKGE N#C/C(=C/Nc1cccc(F)c1)c1nc(-c2cc3cc(Br)ccc3oc2=O)cs1 100418539 CHFWMTJQSDYXOF-RAXLEYEMSA-N 468.307 5.795 50 10 JKGE CCc1ccc(N2C(=O)[C@@H](Cc3ccc(C)c(C)c3)S/C2=C(/C#N)C(=O)NCc2ccccc2)cc1 101240858 OFMHUALCDQKMAW-VOEFLUBFSA-N 495.648 5.609 50 10 JKGE Cc1ccc(N2C(=O)[C@H](Cc3ccccc3)S/C2=C(/C#N)C(=O)N[C@@H](C)c2ccccc2)cc1C 101244060 RZFUGSDTMPLLSM-BZKWZFKZSA-N 481.621 5.607 50 10 JKGE CCOC(=O)c1c(N/C=C(\C#N)c2nc(-c3ccc(Cl)cc3)cs2)sc(C(=O)OC)c1C 102924463 ITYOCNOLGUTCQK-GXDHUFHOSA-N 487.990 5.773 50 10 JKGE Cl[C@H](c1ccc(I)cc1)c1cc2c(cc1Br)OCCO2 109821652 DUQMTQOSPBIXSY-OAHLLOKOSA-N 465.512 5.153 50 10 JKGE COc1c(Br)cc(Cl)cc1[C@@H](Br)c1cc(Cl)cc(Cl)c1 109836397 JWOABYNMWDERHR-ZDUSSCGKSA-N 459.392 6.902 50 10 JKGE Fc1cc(Br)cc(C[C@@H](CBr)c2ccccc2Br)c1 125115856 GGYCOIXFXURYHD-NSHDSACASA-N 450.971 6.072 50 10 JKGE Cc1cc([C@@H](Cl)c2cc(Br)ccc2Br)sc1Br 126030144 YYVAUTPSJBRDPR-NSHDSACASA-N 459.428 6.672 50 10 JKGE CCOc1ccc(CN(CCC(c2ccccc2)c2ccccc2)C(=O)C(Cl)Cl)cc1 138369616 RNADGBWLOYCLQX-UHFFFAOYSA-N 456.413 6.440 50 10 JKGE COc1ccc([C@H](Br)c2ccc(Br)cc2OC)cc1Br 160770464 YCECKEDCCLBBCE-HNNXBMFYSA-N 464.979 5.713 50 10 JKGE COc1cccc(CN(C(=O)CCl)[C@H](C(=O)N[C@@H]2CCC[C@@H](C)[C@@H]2C)c2ccc(C)cc2)c1 169692672 FMUYGYARFDDZNR-WNBHKESASA-N 471.041 5.253 50 10 JKGE COc1cc(/C=C(/C#N)C(=O)NC(C)C)ccc1OC(=O)CCCOc1ccc(C(C)C)cc1 206992691 OCOAHZKJQDXXAN-JCMHNJIXSA-N 464.562 5.015 50 10 JKGE CCOc1ccc(/C=C(/C#N)C(=O)Nc2sc(=S)c3c(c2C#N)CC[C@H](C)C3)cc1OC 207206620 YNNMOAAEFUDCSU-FBKCMUNRSA-N 465.600 5.427 50 10 JKGE CCCCCCCOc1ccc(/C=C2\C(=O)N(C[C@H]3CCCO3)C(=O)C(C#N)=C2C)cc1OCC 214329440 HOCDEKNQOQDFNV-LEYFIJQKSA-N 480.605 5.206 50 10 JKGE N#C/C(=C/Nc1ccc(Cl)c(Cl)c1)C(=O)N1CCN(C(c2ccccc2)c2ccccc2)CC1 216486561 PFUFYSCQRZCHQE-QOCHGBHMSA-N 491.422 5.747 50 10 JKGE Cc1c(Br)cccc1-n1c(CCl)nc2cc(I)ccc21 232252294 ZINUXHNHNRNZOM-UHFFFAOYSA-N 461.528 5.440 50 10 JKGE COc1c(C)cc([C@H](Br)c2cc(Br)cc(Br)c2)cc1C 234926104 TZPPQZWFMAKTMD-HNNXBMFYSA-N 463.007 6.321 50 10 JKGE Cl[C@H](c1cc(Br)sc1Br)c1cc(Br)cc2c1OCC2 236038706 YXTPMOHNEYFAMH-NSHDSACASA-N 487.438 6.299 50 10 JKGE Clc1cccc(C[C@H](Br)c2cc(Br)cc(Br)c2)c1 236065920 CECAUVVTCJMSMA-AWEZNQCLSA-N 453.399 6.544 50 10 JKGE Clc1cc([C@@H](Br)c2csc(Br)c2)sc1Br 236069939 KVXGPLNLSHKNPO-QMMMGPOBSA-N 451.430 6.472 50 10 JKGE C[C@@H]1O[C@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@@H]1O[Si](C)(C)C 252008932 QQOFWFOBJUGLLJ-YYWYGQEZSA-N 452.889 5.243 50 10 JKGE CC(C)c1ccc(-c2cc(C(=O)NN=Cc3ccc(Cl)cc3Cl)c3ccccc3n2)cc1 252591394 BAZPTYPCSIPEKH-UHFFFAOYSA-N 462.380 7.096 50 10 JKGE CCCCCCCC(C)=NNC(=O)CN(c1ccc(C)c(C)c1)S(=O)(=O)c1ccccc1 252619619 LRHJFOLKPWOCRF-UHFFFAOYSA-N 457.640 5.351 50 10 JKGE O=C(NN=Cc1ccc(Cl)cc1Cl)c1ccc(N2C(=O)CS[C@@H]2c2ccccc2)cc1 252630145 UVPSXQBCBDUQBT-HSZRJFAPSA-N 470.381 5.536 50 10 JKGE O=C(NN=C(CCc1ccccc1)CCc1ccccc1)c1ccc(NC(=O)c2ccccc2)cc1 253561223 BWIUUORDUIIKDP-UHFFFAOYSA-N 475.592 6.290 50 10 JKGE O=C(NN=Cc1ccc(OC(F)F)cc1OC(F)F)c1ccccc1OCCOc1ccccc1 254702511 PXZFDBBJRRVAJE-UHFFFAOYSA-N 492.425 5.111 50 10 JKGE O=C(NN=Cc1cc2c(cc1Cl)OCO2)c1cc(C2CC2)nc2ccc(Br)cc12 254734746 URZYOEMMIIXOIQ-UHFFFAOYSA-N 472.726 5.021 50 10 JKGE COc1ccc(C(C)=NNC(=O)CSc2nnc(-c3ccc(C)cc3)n2-c2ccc(C)cc2)cc1 254836108 MHQPPEVRHUBMGN-UHFFFAOYSA-N 485.613 5.192 50 10 JKGE Cc1cc(C)cc(OCc2ccc(C=NNC(=O)CCn3nc(C(F)(F)F)cc3C3CC3)o2)c1 254904852 GXLUBGAKBQDOSO-UHFFFAOYSA-N 474.483 5.109 50 10 JKGE Cc1cc([C@@H](Cl)c2cc(Br)cc(Br)c2)c(C)cc1Br 300468393 RQQIUSGQPHRUHR-HNNXBMFYSA-N 467.426 6.919 50 10 JKGE C[C@@H]1CCC[C@@](CBr)(NC(=O)c2cc(Br)cc(Br)c2)C1 300468631 VWDDGEYANRUMFP-MEBBXXQBSA-N 468.027 5.285 50 10 JKGE Brc1cc([C@H]2CCC[C@@H](CI)O2)sc1Br 307331952 ZWQZTXLQBPSGOD-POYBYMJQSA-N 465.976 5.318 50 10 JKGE Clc1ccc(C[C@@H](Br)c2sccc2I)cc1Cl 310340777 MOBHWHWFGJTNRG-MRVPVSSYSA-N 461.977 6.338 50 10 JKGE Fc1ccc(Br)cc1COc1c(Br)cc(Br)cc1CCl 312413442 GFSXIVRFEPGDDT-UHFFFAOYSA-N 487.388 6.431 50 10 JKGE Cc1ccc([C@@H](Br)c2cc(I)cc3c2OCC3)c(Cl)c1 380342845 YWNMFZNGHHLGGM-OAHLLOKOSA-N 463.540 5.672 50 10 JKGE Cc1cc(F)c([C@@H](Br)c2ccc(Br)cc2Br)cc1C 395871679 YTNRPHYDRHMORY-HNNXBMFYSA-N 450.971 6.452 50 10 JKGE CCC(C)(C)CCC(CBr)(CBr)c1cccc(Br)c1 696699974 CHWJYYIGFWKQRH-UHFFFAOYSA-N 455.072 6.693 50 10 JKGE Cc1cc(Br)c([C@@H](Br)c2cc(Cl)cc(F)c2F)cc1Br 709208844 AFFIBEUOMPKHHS-CYBMUJFWSA-N 489.379 6.936 50 10 JKGE Cc1ccc([C@H](Br)c2c(F)cc(Br)cc2F)c(C)c1Br 719543376 DDIJUDSHPPKEQP-HNNXBMFYSA-N 468.961 6.591 50 10 JKGE ClCc1nc2cc(I)ccc2n1CC[C@@H]1CCN(Cc2ccccc2)C1 723978225 ZJXXPIUMYFAKQE-KRWDZBQOSA-N 479.793 5.292 50 10 JKGE CCOC(=O)c1ccc(-n2c(C)cc(C=NNC(=O)c3ccc(Cl)c(Cl)c3)c2C)cc1 725382133 DFDZXDDBBXRCTO-UHFFFAOYSA-N 458.345 5.342 50 10 JKGE C=CCc1cc(/C=C(\C#N)C(=O)Nc2ccc(C)cc2)ccc1OCc1ccc(Cl)c(Cl)c1 1083924720 DAKFSRGHCCDQNX-HYARGMPZSA-N 477.391 7.155 50 10 JKGE N#C/C(=C\c1cc(Br)ccc1OCc1ccccc1F)C(=O)Nc1ccccc1F 1084057889 LKFUAWUVHFUFBN-GZTJUZNOSA-N 469.285 5.852 50 10 JKGE N#C/C(=C/c1cccc(OCc2ccc(Cl)cc2)c1)C(=O)Nc1cc(Cl)ccc1Cl 1084183647 WLVXDLVHSAUZRR-YVLHZVERSA-N 457.744 6.771 50 10 JKGE CCOc1ccccc1NC(=O)C(=O)NN=Cc1ccc(OCc2ccc(Cl)cc2Cl)cc1 1084322244 DUCJMINZPJRPRF-UHFFFAOYSA-N 486.355 5.060 50 10 JKGE O=C(NN=Cc1ccc2c3c(cccc13)CC2)c1ccc(CSc2ccc(Cl)cc2)cc1 1084611751 WTDNJOVMVYTUJL-UHFFFAOYSA-N 456.998 6.648 50 10 JKGE CC1(C)[C@@H](C(=O)NN=C(c2ccc(Cl)cc2)c2ccc(Cl)cc2)[C@@H]1C=C(Cl)Cl 1088668445 OVUQNGKEDDOPAT-FUHWJXTLSA-N 456.200 6.453 50 10 JKGE C=CCOc1ccccc1C=NNC(=O)[C@@H](CC)Oc1ccc2ccccc2c1Br 1565517819 MYLCOJINPGREFW-HXUWFJFHSA-N 467.363 5.475 50 10 JKGE Brc1ccc([C@@H](SS[C@@H](c2ccc(Br)cc2)C2CC2)C2CC2)cc1 1614015180 BVGANFKAKICGPD-BGYRXZFFSA-N 484.322 8.195 50 10 JKGE O=C(OCc1ccccc1)N1C[C@H](c2ccc([N+](=O)[O-])cc2Br)[C@@H](CBr)C1 1614641903 IRQNFHNGVCBTRT-YOEHRIQHSA-N 498.171 5.104 50 10 JKGE Cc1c(C(=O)Nc2ccc(Br)cc2)oc2c1C(=NNC(=O)c1ccccc1)CCC2 1772744878 MPJLDYVJZQUVKA-UHFFFAOYSA-N 466.335 5.073 50 10 JKGE CCOC(=O)c1ccccc1NC(=O)c1oc2c(c1C)C(=NNC(=O)c1cccc(Cl)c1)CCC2 1772748085 NHYBWQZYGLXGNZ-UHFFFAOYSA-N 493.947 5.141 50 10 JKGE N#CC1=C(N)Oc2c(c(C(F)(F)F)nn2Cc2ccc(Cl)c(Cl)c2)[C@H]1c1ccc(Cl)cc1 1865682962 BUDYVIGKRLZOTF-INIZCTEOSA-N 499.707 6.129 50 10 JKGE CCOc1cc([C@@H]2C(C#N)=C(N)Oc3c2c(CC)nn3CC(C)C)ccc1OCc1ccccc1 1865692868 GKFSLVJTRMOCEU-RUZDIDTESA-N 472.589 5.297 50 10 JKGE COc1ccc(-c2nn(C)c3c2[C@@H](c2ccccc2OCc2ccc(Cl)cc2)C(C#N)=C(N)O3)cc1 1865703822 GKMWWGIDCSFEBS-DEOSSOPVSA-N 498.970 5.546 50 10 JKGE CCc1nn(Cc2ccc(C)cc2)c2c1[C@@H](c1ccc(OC(=O)c3ccccc3)cc1)C(C#N)=C(N)O2 1865704915 HUYISWRFJJWOLF-SANMLTNESA-N 490.563 5.240 50 10 JKGE Cc1ccc(/C(=C/C(=O)N[C@H](C(=O)Nc2ccc(SC#N)cc2)c2ccccc2)C2CC2)cc1C 1866690822 BVZRUGOKRKYANR-RGFRMHDHSA-N 481.621 6.166 50 10 JKGE C[C@@H]1CN(c2cc(Nc3ccc(SC#N)cc3)nc(-c3cccnc3)n2)C[C@@H](c2ccc(F)cc2)O1 1868565061 GXDKMUIGAMXPAQ-KOSHJBKYSA-N 498.587 5.961 50 10 JKGE CCOc1cc(/C=C(\C#N)c2cc3c(cc2[N+](=O)[O-])OCCO3)ccc1OCc1ccc(C)cc1 1872728466 DCMSPZYNEXIMMZ-CIAFOILYSA-N 472.497 5.716 50 10 JKGE CCOc1cc(/C(O)=C(\C#N)c2nc(-c3ccc(OC)c(OC)c3)cs2)cc(OCC)c1OCC 1872745332 HVRWDGWZTWPKJH-MOHJPFBDSA-N 496.585 5.973 50 10 JKGE COc1cc(C)c(-c2csc(/C(C#N)=C(\O)c3cc(OC)c(OC)c(OC)c3)n2)cc1C(C)C 1872753966 WLMXZOMDMVQNCZ-CLCOLTQESA-N 480.586 6.226 50 10 JKGE CCOc1ccc(OCC)c(-c2csc(/C(C#N)=C(\O)CCCOc3ccccc3Cl)n2)c1 1872754724 GEZIOTHMYAQMAC-QOCHGBHMSA-N 485.005 6.913 50 10 JKGE Cc1ccc(C(C)(C)C)cc1-c1csc(/C(C#N)=C(\O)COc2cc(Cl)ccc2Cl)n1 1872755982 OZBMZNQPWSZKRJ-UZYVYHOESA-N 473.425 7.595 50 10 JKGE COc1c(C)cc(Cl)cc1-c1csc(/C(C#N)=C(\O)C(c2ccccc2)c2ccccc2)n1 1872757012 MGUZPAJJBZGADH-LVWGJNHUSA-N 472.997 7.405 50 10 JKGE CCCN(CCC)C(=O)COc1ccc(/C=C(\C#N)c2nc(-c3ccc(F)cc3)cs2)cc1OC 1872791299 FVIXGQIDAXFULX-KGENOOAVSA-N 493.604 6.049 50 10 JKGE COc1ccc(-c2csc(/C(C#N)=C/c3ccc(OC(=O)c4ccccc4)c(OC)c3)n2)c(OC)c1 1872793687 NQULGKCNTJQJDC-DEDYPNTBSA-N 498.560 6.119 50 10 JKGE COc1cc(OC)c(-c2csc(/C(C#N)=C/c3ccc(OCc4ccccc4)cc3)n2)cc1Cl 1872793747 QUTGLSVPDWBBIL-UDWIEESQSA-N 488.996 7.124 50 10 JKGE Cc1nsc(Br)c1[C@H](Cl)c1cc(Br)c(Br)s1 1912972101 ULPJSXSOYQZTER-SSDOTTSWSA-N 466.445 6.129 50 10 JKGE C[C@@H](Br)CN(Cc1ccccc1)C(=O)c1cc(Br)c(Br)s1 1914661109 IPFGAPJUTYEGEH-SNVBAGLBSA-N 496.062 5.699 50 10 JKGE FC(F)(F)c1ccc(C[C@H](Br)c2sc(Br)cc2Br)cc1 1922891669 MWLFUWLVTXEBCL-VIFPVBQESA-N 492.980 6.971 50 10 JKGE FC(F)(F)Oc1cccc([C@H](Br)c2sc(Br)cc2Br)c1 1922892306 RFEHVPQVJASQLB-JTQLQIEISA-N 494.952 6.656 50 10 JKGE CC(C)(C)O[C@H]1C[C@@H]([C@@H](Cl)c2c(Br)sc(Br)c2Cl)C1 1923065832 HWQXJGFBMYCVKT-BKPPORCPSA-N 451.051 6.800 50 10 JKGE CC1(C)C[C@H]1C[C@H](Br)c1c(Br)sc(Br)c1Cl 1923067382 BSPDPGLYHPPHAH-RITPCOANSA-N 451.449 6.799 50 10 JKGE Brc1sc(Br)c([C@H](Br)c2ccoc2)c1Br 1924576213 LIHXPSYVYGFWMC-ZCFIWIBFSA-N 479.813 6.113 50 10 JKGE COc1cc(OC)cc([C@@H](Br)c2c(Cl)sc(Br)c2Cl)c1 1925599002 LRARPBSBFKARHL-SNVBAGLBSA-N 461.002 6.319 50 10 JKGE CCc1cc(Br)c([C@@H](Br)c2ccc(I)cc2)s1 1942101523 KLIHGZIFPKDNEE-LBPRGKRZSA-N 486.010 6.162 50 10 JKGE Clc1cc([C@H](Br)c2cc(Br)ccc2Br)sc1Cl 1950191731 ORERWCJQYNQLKH-SNVBAGLBSA-N 479.846 7.064 50 10 JKGE Cl[C@@H](c1ccc(Br)s1)c1ccc(Br)cc1I 1995285465 HVVURJMJVDFZBT-LLVKDONJSA-N 492.401 6.206 50 10 JKGE CO[C@@H]1CC[C@@H]1C[C@H](Cl)c1c(Br)sc(Br)c1Br 2013839920 TYTHMXCYTBGYOT-DSYKOEDSSA-N 467.448 6.131 50 10 JKGE Fc1cc(Br)cc(Oc2ccccc2I)c1CBr 2051132271 XQBWSRMMYHGSEE-UHFFFAOYSA-N 485.916 5.880 50 10 JKGE CCO[C@@H]1CC[C@H]([C@H](Cl)c2c(Br)sc(Br)c2Br)C1 2054501556 YWTMCORYJLUKMT-PJKMHFRUSA-N 481.475 6.521 50 10 JKGE FC(F)(F)c1ccc(Cn2nc(C3CCCCC3)cc2CBr)cc1Br 2070040715 OBKZAWHILADPNY-UHFFFAOYSA-N 480.166 6.655 50 10 JKGE Cc1sc(Br)c([C@H](Br)c2ccc(Br)c(F)c2)c1C 2082884299 KPFRIRYSNWTUJB-GFCCVEGCSA-N 457.000 6.513 50 10 JKGE Cc1cccc([C@H](Cl)c2ccc(Br)cc2Br)c1Br 2083322241 SUOSCYSZIFQKSM-CQSZACIVSA-N 453.399 6.611 50 10 JKGE CCc1nn(-c2c(Cl)cccc2CBr)c(CC)c1I 2093915022 GZFVJNLPXJFDCR-UHFFFAOYSA-N 453.549 5.150 50 10 JKGE Cc1cc(Br)ccc1[C@@H](Br)c1cc(C2CC2)c(Br)s1 2094673746 OGJLRCSRJHPKCB-CQSZACIVSA-N 465.048 6.943 50 10 JKGE CC12CC([C@H](Br)c3cc(Br)c(Br)s3)(C1)C1(CCC1)O2 2101241144 UDDONWLDEJNFMK-QFWMXSHPSA-N 471.052 6.201 50 10 JKGE Clc1c(Br)cccc1COc1cccc(Br)c1CBr 2110518803 BCOQJIGAIHDCFT-UHFFFAOYSA-N 469.398 6.339 50 10 JKGE BrCc1cc(Br)c(OC[C@@H]2C[C@H]3CC[C@H]2O3)c(Br)c1 2111774728 SJTXUPLUTCFYFD-OPQQBVKSSA-N 454.984 5.053 50 10 JKGE Clc1ccc(CBr)c(OCc2cc(Br)ccc2Br)c1 2118521118 BFJSXOUCTONQNY-UHFFFAOYSA-N 469.398 6.339 50 10 JKGE CC[C@@H]1CN(C(=O)OCc2ccccc2)[C@H](CC)CN1Cc1ccc(CBr)cc1 2126471513 LHWZOIIUPLXUKV-DHIUTWEWSA-N 459.428 5.593 50 10 JKGE Cc1c(Br)ccc([C@@H](Cl)c2cccc(F)c2Br)c1Br 2138863914 NKIFGYJKIAONEM-AWEZNQCLSA-N 471.389 6.750 50 10 JKGE CO[C@@H]1C[C@H]([C@@H](Br)c2ccc(Br)cc2Br)C12CCC2 2138876463 PQJAPLWBYARGFD-BNOWGMLFSA-N 453.012 5.853 50 10 JKGE CCC[C@H]1CN(Cc2cc(Cl)ccc2I)C[C@H]1CBr 2140788062 PEXZUIJFIFETPO-WCQYABFASA-N 456.593 5.188 50 10 JKGE Cc1cc([C@@H](Cl)c2ccc(Br)cc2I)c(F)cc1F 2142286486 DCOSTYVAKAMFFS-AWEZNQCLSA-N 457.483 5.969 50 10 JKGE C[C@](CI)(OCCOC1CCCC1)c1ccccc1Br 2143652410 YDAWSQNDPBIRDR-MRXNPFEDSA-N 453.158 5.075 50 10 JKGE CCOc1ccc([C@H](Cl)c2cccc(Br)c2Br)cc1Br 2148749787 JRWHBYIMRKYRNF-HNNXBMFYSA-N 483.425 6.701 50 10 JKGE Cc1cc(C)c([C@@H](Cl)c2cccc(Br)c2Br)c(C)c1Br 2148750334 LGIFDVNRFUXYOR-INIZCTEOSA-N 481.453 7.228 50 10 JKGE CN(C)c1ncc(COc2c(Br)cc(CBr)cc2Br)s1 2149534096 OSDMQSCILKFODP-UHFFFAOYSA-N 485.039 5.208 50 10 JKGE ClCc1nc2ccc(Cl)cc2n1Cc1scc(Br)c1Br 2150561080 FFTNZRRGPOYIKR-UHFFFAOYSA-N 455.002 6.063 50 10 JKGE CC(C)(C)C[C@@H](CBr)CNC(=O)c1ccc(Br)cc1Br 2156325775 HEJLOJAEPPJOFM-JTQLQIEISA-N 470.043 5.389 50 10 JKGE Cc1c(Br)sc([C@H](Br)C2CC3(C2)CC2(CCC2)C3)c1Br 2157155799 DBZVNACFGRLXML-GFCCVEGCSA-N 483.107 7.378 50 10 JKGE ClCc1nc2cc(Cl)c(Br)cc2n1C1[C@H]2C[C@H]1CN(Cc1ccccc1)C2 2169011030 ODQCYWKSFJYGCT-GJZGRUSLSA-N 465.222 5.884 50 10 JKGE ClCc1nc2cc(Cl)c(Br)cc2n1-c1ccccc1OCc1ccccc1 2169014669 AVDNZQVAIBKUIN-UHFFFAOYSA-N 462.174 6.759 50 10 JKGE Cc1c(Br)ccc([C@@H](Br)c2ccc3sncc3c2)c1Br 2203688124 SCIKUPNUIPYPBU-HNNXBMFYSA-N 476.031 6.614 50 10 JKGE Clc1cc(CN2CCC3(CCC(Br)CC3)C2)ccc1I 2208034946 AKKSTQFFXZKZTJ-UHFFFAOYSA-N 468.604 5.474 50 10 JKGE ClCc1nc2cc(Br)c(Br)cc2n1CCCOCc1ccccc1 2213525528 CJFXLAPAJLVSAA-UHFFFAOYSA-N 472.608 5.907 50 10 JKGE COc1ccc([C@H](Br)c2scc(Br)c2C)c(Br)c1 2218994037 IKCZKYFIWNJXIK-LBPRGKRZSA-N 455.009 6.074 50 10 JKGE Fc1cc(Br)c(Br)cc1[C@@H](Br)c1cc2sccc2s1 2225633324 IKHNHOGWDYUZSO-CYBMUJFWSA-N 485.035 7.111 50 10 JKGE ClCc1nc2cc(Br)c(Br)cc2n1C[C@@H]1CCCN1Cc1ccccc1 2225702068 OEWFYPLDXYJOSY-HNNXBMFYSA-N 497.662 5.965 50 10 JKGE Clc1cc(Br)c([C@@H](Br)[C@@H]2CCCCC23CC3)c(Cl)c1Cl 2232510815 IBNHATIQHXRFRA-UFBFGSQYSA-N 461.452 7.816 50 10 JKGE COc1ccc([C@@H](Br)c2cc(Br)c(Br)cc2F)cc1C 2233973837 BWAWOTXKMFIVLG-OAHLLOKOSA-N 466.970 6.152 50 10 JKGE Fc1cc(Br)c(Br)cc1[C@H](Br)[C@H]1OCC[C@H]1C(F)(F)F 2240516898 VOKICCNRIQIVAX-DADVEIPYSA-N 484.907 5.754 50 10 JKGE Fc1cc(Cl)c([C@H](Cl)c2cc(Br)c(Br)s2)cc1Br 2258114508 XDCFQGZTPHGZKC-JTQLQIEISA-N 497.836 7.156 50 10 JKGE CN(C[C@H](Cl)COCc1ccccc1)C(=O)Cc1cc(Br)cc(Br)c1 2263481955 BNCAASWIAOLGGI-SFHVURJKSA-N 489.635 5.037 50 10 JKGE Fc1ccc(I)cc1[C@H](Br)c1ccc(C2CCC2)s1 2271979199 PFRSZYPFXQTFEI-HNNXBMFYSA-N 451.142 6.244 50 10 JKGE C=CC[C@@]1(CBr)CCCN1C(=O)c1cc(Br)sc1Br 2272153984 OTVMQSGJGONMOK-ZDUSSCGKSA-N 472.040 5.219 50 10 JKGE COc1cscc1[C@@H](Br)c1c(F)cc(Br)c(F)c1Br 2272843209 RYSHVMHVJUSFBG-SNVBAGLBSA-N 476.962 6.044 50 10 JKGE Cc1cc(Br)c([C@H](Br)C23COCC(C2)C3)c(C)c1Br 2273068956 DYIHTYHDZAHYGB-CUMGRINNSA-N 453.012 5.691 50 10 JKGE Fc1ccc(Br)cc1[C@H](Cl)Cc1cc(Br)cc(Br)c1 2277962828 MHJXQOGDXGITBN-CYBMUJFWSA-N 471.389 6.636 50 10 JKGE Brc1cc(Br)cc(C[C@H](Br)C2CC3(CCCC3)C2)c1 2277963300 SDTUBTXJIKLYDP-HNNXBMFYSA-N 451.040 6.488 50 10 JKGE COc1ccc([C@H](Br)c2ccc(OC)c(I)c2)c(Cl)c1 2284997070 DQADFIIRLIKCOV-OAHLLOKOSA-N 467.528 5.446 50 10 JKGE Cc1cc(Cl)c(Cl)cc1[C@@H](Br)c1cc(C2CC2)c(Br)s1 2286457671 HIXNTVMTFHEINV-CQSZACIVSA-N 455.042 7.488 50 10 JKGE O=C(c1cc(Br)sc1Br)N1CCC2(CC[C@@H](Br)C2)CC1 2287950011 PUZRRMVDBBXQNR-SECBINFHSA-N 486.067 5.443 50 10 JKGE C[C@H](Br)CN(CCC(C)(C)C)C(=O)c1cc(Br)sc1Br 2288073461 FMBAABDPKOAEGR-VIFPVBQESA-N 490.099 5.935 50 10 JKGE Fc1cc(Br)c(F)c(Br)c1[C@@H](Br)[C@@H]1CC12CCCCC2 2288343806 BWEGXTIEIDCAMH-UFBFGSQYSA-N 472.993 6.896 50 10 JKGE C[C@]1([C@@H](Br)c2c(F)cc(Br)c(F)c2Br)C[C@H]1C(F)(F)F 2288346180 WPKKTYSJDYPFFG-DADVEIPYSA-N 486.898 6.514 50 10 JKGE C[C@]1(C(F)(F)F)C[C@@H]1[C@H](Br)c1c(F)cc(Br)c(F)c1Br 2288353911 LANBTFIZUPKKFE-OOWWRKSUSA-N 486.898 6.514 50 10 JKGE Fc1cc(Br)c(F)c(Br)c1[C@@H](Cl)c1cc(Cl)cc(Cl)c1 2288358921 ZKLAKRSCWOULES-LBPRGKRZSA-N 465.346 7.125 50 10 JKGE C=CCOc1ccc(Cl)cc1C=C(C#N)C(=O)Nc1ncc(Cc2ccccc2Cl)s1 2293038510 IGEJSODGIAEFRO-UHFFFAOYSA-N 470.381 6.151 50 10 JKGE CCCCOc1ccccc1C=C(C#N)C(=O)Nc1ncc(Cc2ccc(C)c(Cl)c2)s1 2293038718 WEFYIEYZNMZDKD-UHFFFAOYSA-N 466.006 6.420 50 10 JKGE COc1ccc(-c2nnc(SCC(=O)NN=CC=Cc3ccco3)n2-c2ccc(Cl)cc2)cc1 2293707228 CSHXMOIUCHZDAP-UHFFFAOYSA-N 493.976 5.097 50 10 JKGE COc1ccc(Br)cc1[C@@H](Cl)Cc1cc(Br)cc(Br)c1 2295265660 UCYUSQMASYDOEN-AWEZNQCLSA-N 483.425 6.505 50 10 JKGE COc1ccc(C(C=Cc2ccc3c(c2)OCO3)=NNC(=O)c2sc3ccccc3c2Cl)cc1 2295284398 MKWHACMNMYFWQY-UHFFFAOYSA-N 490.968 6.140 50 10 JKGE COc1ccc(NC(=O)C(C#N)=C2S[C@@H](Cc3ccc(C)cc3)C(=O)N2c2ccccc2)cc1 2295982169 VEVDPZUVYFCVIQ-DEOSSOPVSA-N 469.566 5.069 50 10 JKGE C[C@H](C=C(C#N)c1nc(-c2cccs2)c(NC(=O)c2ccc(Cl)cc2)s1)c1ccccc1 2297497979 SODJDTCBBZWDDH-MRXNPFEDSA-N 476.026 7.488 50 10 JKGE N#CC(=Cc1ccccc1OCc1ccc(Br)cc1)C(=O)Nc1ccc(Cl)cc1 2313631860 XJBQBUGDQSYVGT-UHFFFAOYSA-N 467.750 6.227 50 10 JKGE COc1ccc(CNC(=O)C(C#N)=Cc2cn(Cc3ccccc3Cl)c3ccccc23)cc1 2313670769 VGCCWNQGCVBOIN-UHFFFAOYSA-N 455.945 5.575 50 10 JKGE N#CC(=Cc1cn(Cc2ccccc2Cl)c2ccccc12)C(=O)Nc1cccc(C(F)(F)F)c1 2313681067 CZNSIRGGEWZPBN-UHFFFAOYSA-N 479.889 6.907 50 10 JKGE Fc1ccc(Br)c([C@H](Cl)c2ccc(OCc3ccccc3)cc2Br)c1 2314451000 AUTZBGLMIUQYJX-HXUWFJFHSA-N 484.590 7.258 50 10 JKGE Brc1cc(OCc2ccccc2)ccc1[C@H](Br)[C@@H]1CC[C@H]2C[C@H]2CC1 2314454805 JGBZZVCXNYRXRU-WYADAEROSA-N 464.241 7.290 50 10 JKGE CC1=C(C#N)C(=O)N([C@H](C)c2ccccc2)C(=O)C1=Cc1ccc(-c2ccc([N+](=O)[O-])cc2)o1 2314619089 ZONIRQTUTJTMKT-QGZVFWFLSA-N 453.454 5.208 50 10 JKGE FCCC1([C@@H](Br)c2c(Cl)cc(Br)c(F)c2Br)CC1 2315446307 FBEQYGUPVHYXSW-NSHDSACASA-N 467.373 6.580 50 10 JKGE Cc1c(Br)sc([C@@H](Br)[C@H]2CO[C@]3(C)C[C@H]2C3)c1Br 2315922614 DSJNGRLRUXCLML-FVCQVCJYSA-N 459.041 5.833 50 10 JKGE Clc1ccc([C@@H](Br)c2cc3sccc3s2)c(I)c1 2317773325 KLVFQBVSWBAEJK-CYBMUJFWSA-N 469.594 6.705 50 10 JKGE COc1cc(C=NNC(=O)c2ccc(-c3ccc(F)cc3)nc2C)ccc1OCc1ccccc1 2321246430 BQACIJHIYWLRDS-UHFFFAOYSA-N 469.516 5.548 50 10 JKGE CCC(CC)N(CCBr)Cc1ccc(I)c(Br)c1 2325213924 WOIVYVNMLOIXQA-UHFFFAOYSA-N 489.033 5.439 50 10 JKGE CCn1cc(C=C2Oc3cc(OCc4ccc(CCl)cc4)cc(C)c3C2=O)c2cc(OC)ccc21 2325342661 AVIYSKGUZXCPSG-UHFFFAOYSA-N 487.983 6.912 50 10 JKGE Brc1cc([C@@H](Br)[C@@H]2C[C@@H]3CCCCCC[C@@H]32)sc1Br 2329820966 CSICXFJVEWKVHB-DYNIEEOBSA-N 471.096 7.316 50 10 JKGE CC[C@@H](C)N1C(=O)c2ccc(C(O)=C(C#N)c3nc(-c4ccc5ccccc5c4)cs3)cc2C1=O 2331237980 ZGJAKUYYYZVIOY-MRXNPFEDSA-N 479.561 6.308 50 10 JKGE CCOC(=O)c1ccc(N2C[C@H](C(O)=C(C#N)c3nc(-c4ccc(F)cc4F)cs3)CC2=O)cc1 2331286689 ZELXVYKGRNCPRX-OAHLLOKOSA-N 495.507 5.111 50 10 JKGE CCCCCCCOc1ccc(-c2csc(C(C#N)=C(O)COc3ccccc3OC)n2)cc1 2331345826 BSEORHUUYJFGEO-UHFFFAOYSA-N 478.614 7.040 50 10 JKGE COc1cc(-c2csc(C(C#N)=C(O)Cc3ccc(Br)cc3)n2)c(OC)cc1Cl 2331377196 WGPJYBXNWFRQEA-UHFFFAOYSA-N 491.794 6.279 50 10 JKGE COc1cc(Cl)c(C)cc1-c1csc(C(C#N)=C(O)Cc2ccc(Br)cc2)n1 2331389256 JELWMWSZIKQHMS-UHFFFAOYSA-N 475.795 6.578 50 10 JKGE COc1c(Cl)cc(-c2csc(C(C#N)=C(O)C=Cc3ccc(Cl)cc3)n2)cc1Cl 2331396591 SWLZNNJJNWSWHZ-UHFFFAOYSA-N 463.773 7.285 50 10 JKGE CCCCCCCOc1ccc(-c2csc(C(C#N)=Cc3cc(OC)c(OC)cc3OC)n2)cc1 2331460424 ASDURQQEUGAXIB-UHFFFAOYSA-N 492.641 7.249 50 10 JKGE Brc1cc(OCc2ccccc2)ccc1[C@H](Br)c1scc2c1CCCC2 2336040500 GGKLOGLDKVUIJH-NRFANRHFSA-N 492.276 7.453 50 10 JKGE CCCc1sc(Br)cc1[C@@H](Br)c1c(Br)nn(C)c1C 2338030447 AMWLJRNSXBUEHP-GFCCVEGCSA-N 471.056 5.752 50 10 JKGE Cc1cc(Br)c(F)c(Br)c1[C@@H](Cl)c1ccc(OCc2ccccc2)cc1 2339653357 IPOATZLLWPBBJN-FQEVSTJZSA-N 498.617 7.566 50 10 JKGE Fc1cc([C@H](Cl)c2cc(Br)ccc2OCc2ccccc2)c(Cl)cc1Cl 2351640335 LARGQCANIJXSOA-FQEVSTJZSA-N 474.584 7.802 50 10 JKGE CN(Cc1cc(I)ccc1Cl)[C@H]1CCCCC[C@@H]1Br 2352413160 DIJBAMUGFBJMFC-ZFWWWQNUSA-N 456.593 5.473 50 10 JKGE Cc1cc(Br)c(C(C)C)cc1[C@@H](Br)c1cocc1Br 2352804409 FIMWNJQCFIYKJH-OAHLLOKOSA-N 450.996 6.721 50 10 JKGE Cc1cc(Br)c(C)c([C@@H](Br)[C@@H]2CC[C@@H]3[C@H]2C3(F)F)c1Br 2357917192 WVLULHMJRJHATI-KZOHCQCBSA-N 472.993 6.556 50 10 JKGE O=C(c1cc(Br)c(Br)s1)N1CC[C@@H](Cl)C[C@@H]1C(F)(F)F 2361449059 JOQHWCCDIZAXJE-SVGQVSJJSA-N 455.521 5.047 50 10 JKGE COc1c([C@H](Cl)c2c(Cl)cc(Br)c(F)c2Br)csc1C 2362223409 IVSFKOHNNAMGNS-NSHDSACASA-N 462.993 6.711 50 10 JKGE Cc1ccc([C@H](Br)c2c(C)cc(Br)c(F)c2Br)cc1Cl 2365184199 CVPFVUDAVMQJIT-ZDUSSCGKSA-N 485.416 7.105 50 10 JKGE COc1c(Br)cc(C)c([C@H](Br)[C@@H]2CC23CCCC3)c1Br 2365190513 FYCZTKJUOFJEDP-GXFFZTMASA-N 467.039 6.545 50 10 JKGE CCOC1CC([C@@H](Br)c2c(C)cc(Br)c(OC)c2Br)C1 2365192481 WDWHIOOFNCDGPD-SRHKJQAYSA-N 471.027 5.780 50 10 JKGE COc1cc([C@@H](Cl)c2c(Br)cc(Cl)c(Cl)c2Cl)sc1Cl 2365835120 CCIIFACOMMIKBF-SNVBAGLBSA-N 455.415 7.461 50 10 JKGE FC1(F)[C@H]2C[C@H](CO[C@@H](CI)c3ccccc3Br)C[C@H]21 2369978539 UBYBOCWUUTYEKW-ZKCLLBTKSA-N 457.096 5.233 50 10 JKGE CN(CC[C@@H](Cl)c1cccs1)Cc1ccc(I)c(Br)c1 2377354432 WCNMLXGEHCWFGF-CYBMUJFWSA-N 484.628 5.917 50 10 JKGE N#CC1=C(N)N2C(=C(C#N)[C@H]1c1ccc(-c3cc(Cl)ccc3Cl)o1)Sc1ccccc12 2367158 DJAKMWMXGKFHAU-NRFANRHFSA-N 463.349 6.392 50 10 JKGE CCSc1ccsc1[C@@H]1C(C#N)=C(N)N(c2cccc([N+](=O)[O-])c2)C2=C1C(=O)CCC2 2501765 OHCYAZUZHLMUKF-LJQANCHMSA-N 452.561 5.073 50 10 JKGE CCOc1cc(/C=N/NC(=O)c2cc3ccccc3cc2O)ccc1OC(=O)c1ccc(F)cc1 20175849 IISPFXCGOARWOS-MUFRIFMGSA-N 472.472 5.066 50 10 JKGE CSc1cccc(N/C(SCc2ccccc2F)=C(/C#N)S(=O)(=O)c2ccccc2)c1 20325521 XHLUZBUGUJCWNQ-GHVJWSGMSA-N 470.616 6.059 50 10 JKGE CCOc1cc(C(=O)Oc2ccc(/C=C(/C#N)c3ccccc3)cc2OC)cc(OCC)c1OCC 31901877 CAEQNEBWWUPHCX-HAHDFKILSA-N 487.552 6.175 50 10 JKGE CCCCC1CCC(C(=O)Oc2ccc(/C=C(/C#N)c3cccc(Cl)c3)cc2OC)CC1 31902397 LYINTSRMBRVKDM-HAHDFKILSA-N 451.994 7.315 50 10 JKGE CCOC(=O)c1c(NC(=O)/C(C#N)=C\c2ccc(-c3nc4ccccc4s3)o2)sc(C)c1C 34688728 WAPXILPECNGUAZ-PTNGSMBKSA-N 477.567 5.957 50 10 JKGE N#C/C(=C/c1ccc(-c2ccc(Cl)cc2)o1)c1nc(-c2cc3ccccc3oc2=O)cs1 34847341 FJRBOLPJUHQFHB-BOPFTXTBSA-N 456.910 6.894 50 10 JKGE N#C/C(=C\c1ccc(-c2ccccc2)o1)c1nc(-c2ccc(I)cc2)cs1 35518073 LBMHIQXCAOZEFB-SFQUDFHCSA-N 480.330 6.739 50 10 JKGE Cc1ccc(-c2csc(/C(C#N)=C\c3ccccc3OCC(=O)Nc3nccs3)n2)cc1 35519699 WBKVFCBDTMXNIZ-UNOMPAQXSA-N 458.568 5.657 50 10 JKGE CC(C)(C)c1ccc(N2C(=O)CS[C@H]2c2cccc(NC(=O)[C@@H](Cl)c3ccccc3)c2)cc1 35928196 HSXGKDKBXAODGD-AHWVRZQESA-N 479.045 6.681 50 10 JKGE Cc1ccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)COc4ccc(Cl)cc4Cl)ccc32)cc1 38649180 DNSQXNCOZXYMRS-XMMPIXPASA-N 481.335 5.504 50 10 JKGE CCCCOc1ccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4ccccc4OCCC)ccc32)cc1 38650876 MUEFKUMPMMSLRW-NDEPHWFRSA-N 498.579 6.092 50 10 JKGE Cc1cc(C)c2c(C)c(C(=O)Oc3ccc4c(c3)OC(N)=C(C#N)[C@H]4c3cccs3)oc2c1 38688427 IZGRASPRZZNFKV-QHCPKHFHSA-N 456.523 5.857 50 10 JKGE CCOc1cc(/C=C2/C(=O)N(C3CCCC3)C(=O)C(C#N)=C2C)ccc1OCc1ccc(C)cc1 40514567 SDCXPHWARBBYLO-BUVRLJJBSA-N 470.569 5.508 50 10 JKGE Cc1c(C(=O)NN(c2ccccc2)c2ccccc2)oc2c1/C(=N/Nc1ccc(F)cc1)CCC2 40823867 OLKBKIQAOIZNOJ-QFMPWRQOSA-N 468.532 6.363 50 10 JKGE CCCCNC(=O)/C(C#N)=C/c1ccc(OC(=O)c2ccccc2CCc2ccccc2)c(OC)c1 40965950 OLGCENJGLKGGAJ-NCELDCMTSA-N 482.580 5.523 50 10 JKGE CCc1cc(Br)ccc1-c1ccc(/C=C(\C#N)C(=O)Nc2ccc(Cl)c(OC)c2)o1 58833335 MIVQMBNJFOWDIQ-RVDMUPIBSA-N 485.765 6.479 50 10 JKGE CCc1cccc(C)c1N/C(SCc1cccc(C)c1)=C(\C#N)S(=O)(=O)c1ccccc1 104689362 QFPQHACYTFYOQU-LCUIJRPUSA-N 462.640 6.378 50 10 JKGE Fc1ccc([C@H](Br)c2cc(Br)sc2Br)c(F)c1F 127329531 WERNUKMINHYYSI-QMMMGPOBSA-N 464.926 6.175 50 10 JKGE COc1cc(Cl)c([C@H](Br)c2ccccc2I)cc1Cl 166989747 KOMNXBUQDJSXPH-CQSZACIVSA-N 471.947 6.091 50 10 JKGE CC1=C(C#N)C(=O)N(CC(C)C)C(=O)/C1=C\c1cn(-c2ccccc2)nc1-c1ccc2c(c1)C[C@H](C)O2 214271928 MWPAUWBUCRMVJE-ILRHRSLTSA-N 492.579 5.111 50 10 JKGE Fc1cccc([C@H](Br)c2cc(Br)cc3c2OCC3)c1Br 228443859 KNMLOEYFYJEOEA-ZDUSSCGKSA-N 464.954 5.770 50 10 JKGE Brc1cc([C@H](Br)c2ccc(Br)c3ccccc23)cs1 232483718 RJATVAGXTMYHLM-HNNXBMFYSA-N 461.016 6.911 50 10 JKGE COc1cc(F)c(Br)cc1[C@H](Br)c1cccc(F)c1Br 234915980 WFZATSFEZJQXLS-CYBMUJFWSA-N 470.933 5.983 50 10 JKGE Brc1cc([C@H](Br)[C@@H]2CC[C@H]3CCCC[C@@H]3C2)c(Br)s1 250746143 MKPNOCUQRWMYKX-ZHSDAYTOSA-N 471.096 7.316 50 10 JKGE COc1cccc(C=NNC(=O)COc2ccc(Cl)cc2)c1OCc1ccccc1Cl 252597691 CTORUIFHJCOGJN-UHFFFAOYSA-N 459.329 5.110 50 10 JKGE Cc1ccc(C)c(-c2cc(C(=O)NN=Cc3cc4c(cc3Cl)OCO4)c3ccccc3n2)c1 252634063 WJZDRMJCZDCIKT-UHFFFAOYSA-N 457.917 5.665 50 10 JKGE CCCCOc1ccc(C(=O)NN=Cc2c(OC(=O)c3ccc(C)cc3)ccc3ccccc23)cc1 254475135 KHCFUHCPKCIQHV-UHFFFAOYSA-N 480.564 6.310 50 10 JKGE Cc1ccc(Cn2c(SCC(=O)NN=C/C(Cl)=C\c3ccccc3)nc3ccccc32)cc1 254508988 FMKHOTPQCWILIO-VGHMLTDISA-N 475.017 5.867 50 10 JKGE CCCCCCCCCC(=O)NN=Cc1ccc(OC(=O)c2ccc(OCCC)cc2)cc1 254670236 PZQISOFLSVGVHI-UHFFFAOYSA-N 452.595 6.285 50 10 JKGE BrCc1cc(I)cc2c(I)csc12 307073586 ABHDKTXNOPDKIT-UHFFFAOYSA-N 478.918 5.005 50 10 JKGE Clc1cc2c(cc1[C@H](Br)c1sccc1I)OCCCO2 381031561 XLAIXMHWVKJTDX-ZDUSSCGKSA-N 485.568 5.652 50 10 JKGE Clc1cncc(CC(CBr)(CBr)c2ccc(Br)cc2)c1 703624681 KBZUAGUASSSZSI-UHFFFAOYSA-N 482.441 5.768 50 10 JKGE Cc1cc([C@@H](Br)c2ccc(I)c(Br)c2)c(C)cc1F 721613846 MRPPPIXGUWWLPP-HNNXBMFYSA-N 497.971 6.294 50 10 JKGE COc1ccc(C=NNC(=O)[C@H](C)Oc2cccc3ccccc23)cc1CSc1ccccn1 1084039969 LSAKBMNUORTXLW-IBGZPJMESA-N 471.582 5.453 50 10 JKGE COc1c(Br)cc(/C=C(/C#N)C(=O)Nc2cc(C)ccc2C)cc1Br 1084553209 WSRYJTJAWXTHNX-AUWJEWJLSA-N 464.157 5.383 50 10 JKGE Cc1c(C(=O)Oc2ccccc2)oc2c1C(=NNC(=O)c1ccccc1Br)CCC2 1772746453 UVWLUXPNSGZVFU-UHFFFAOYSA-N 467.319 5.040 50 10 JKGE CCCCOc1ccc([C@H]2C(C#N)=C(N)Oc3c2c(C(F)(F)F)nn3Cc2ccc(C)cc2)cc1 1865689914 GJDGLWAJDHNAAF-NRFANRHFSA-N 482.506 5.656 50 10 JKGE CCCCCOc1ccc([C@H]2C(C#N)=C(N)Oc3c2c(CCC)nn3Cc2ccccc2F)cc1 1865689937 GZNMQZYGWPYUHG-VWLOTQADSA-N 474.580 5.810 50 10 JKGE CCc1nn(-c2ccc(C)cc2)c2c1[C@H](c1ccc(OCc3ccc(Cl)cc3)cc1)C(C#N)=C(N)O2 1865695541 POWVMSPMQBRTHW-AREMUKBSSA-N 496.998 6.194 50 10 JKGE N#CC1=C(N)Oc2c(c(-c3ccccc3)nn2Cc2c(F)cccc2Cl)[C@@H]1c1ccc(F)cc1 1865708294 SSLMTXODWDCXCV-JOCHJYFZSA-N 474.898 5.748 50 10 JKGE CCc1nc(Nc2ccc(SC#N)cc2)cc(N2CCC[C@@H]2c2ccc(C(F)(F)F)cc2)n1 1868278260 XVLQUAOQVDBGDK-HXUWFJFHSA-N 469.536 6.716 50 10 JKGE COc1cccc(-c2csc(/C(C#N)=C(\O)c3ccc(N4C(=O)c5ccccc5C4=O)cc3)n2)c1 1872744595 ZKGHOQNCQYOCED-GYHWCHFESA-N 479.517 5.569 50 10 JKGE C[C@@H](Oc1ccc(Cl)cc1Br)/C(O)=C(\C#N)c1nc(-c2ccc(Cl)cc2)cs1 1872748439 XKWRHZSHKNPUCB-QNPMFDGYSA-N 496.213 7.140 50 10 JKGE CCOc1cc(/C(O)=C(\C#N)c2nc(-c3ccc(C)cc3)cs2)cc(OCC)c1OCC 1872749533 VSIWIZYQGYHZCJ-NMWGTECJSA-N 450.560 6.265 50 10 JKGE COc1cc(/C=C/C(O)=C(\C#N)c2nc(-c3ccc4c(c3)OCO4)cs2)cc(OC)c1OC 1872752780 RTQROILXIKMPJT-ICDLCMOZSA-N 464.499 5.071 50 10 JKGE CCCCCCCOc1ccc(-c2csc(/C(C#N)=C(O)/C=C/c3ccc(OCC)cc3)n2)cc1 1872753268 ORRHHYWICVCJTP-SODUKCOSSA-N 488.653 8.064 50 10 JKGE COc1c(Cl)cc(-c2csc(/C(C#N)=C(\O)[C@@H](C)Oc3ccc(Cl)cc3)n2)cc1Cl 1872755817 HRJANIXTVSXIDR-QNPMFDGYSA-N 481.788 7.039 50 10 JKGE N#C/C(=C\c1ccc(OC(=O)c2ccccc2)cc1)c1nc(-c2ccc([N+](=O)[O-])cc2)cs1 1872784103 CMEKVYSCQCIASC-XSFVSMFZSA-N 453.479 6.002 50 10 JKGE COc1cc(-c2csc(/C(C#N)=C/c3cccc(Br)c3)n2)c(OC)cc1Cl 1872792641 JOQFGLQPTXDMFK-AWNIVKPZSA-N 461.768 6.307 50 10 JKGE COc1ccc(OC)c(-c2csc(/C(C#N)=C(\O)CCCOc3ccc(Cl)cc3Cl)n2)c1 1873920439 FPPABCLQHUCHQK-JZJYNLBNSA-N 491.396 6.786 50 10 JKGE CCC(CBr)(CBr)Cc1sccc1I 1888203024 GCZPWOKJAXXBFC-UHFFFAOYSA-N 451.993 5.081 50 10 JKGE Brc1cc(Br)c([C@@H](Br)c2ccc3c(c2)COCC3)s1 1922907329 SIFXFHVSQFXUEE-ZDUSSCGKSA-N 467.020 5.830 50 10 JKGE Cc1c(Br)sc([C@H](Br)[C@@]23CCC[C@@H]2OCC3)c1Br 1922913095 UGSLXEJEKTXKBQ-LJUAHTATSA-N 459.041 5.977 50 10 JKGE Cc1ccc([C@H](Cl)c2sc(Br)cc2Br)cc1Br 1922942120 QIJPYOKRBASOJT-NSHDSACASA-N 459.428 6.672 50 10 JKGE Clc1c(Br)sc(Br)c1[C@@H](Cl)c1sncc1Br 1923047166 APIOYVFLUSJEOO-SCSAIBSYSA-N 486.863 6.474 50 10 JKGE CC(C)C[C@@H](Br)c1c(Br)sc(Br)c1Br 1924575469 ATXVJRYMPIAMAG-RXMQYKEDSA-N 469.862 6.518 50 10 JKGE Fc1ccc([C@H](Cl)c2c(Br)sc(Br)c2Br)cc1F 1924589836 FYPFQWUBJVSFOT-VIFPVBQESA-N 481.381 6.642 50 10 JKGE Clc1cc(Br)c([C@@H](Br)c2csnc2Br)s1 1933588356 QJIRCOCJXADTMX-LURJTMIESA-N 452.418 5.867 50 10 JKGE CCc1cc(Br)c([C@H](Cl)c2scc(Br)c2Br)s1 1942097007 FOGLULWWOMIHDI-VIFPVBQESA-N 479.484 6.988 50 10 JKGE COc1sc([C@@H](Br)c2ccccc2OCc2ccccc2)cc1Br 1946718845 ATAQUYOCMPRFBX-SFHVURJKSA-N 468.210 6.583 50 10 JKGE CC[C@H]1CN(c2cccc(Br)c2CBr)CCN1Cc1ccccc1 1946745680 ZEMCIKFVVUUOIZ-KRWDZBQOSA-N 452.234 5.445 50 10 JKGE Fc1cc(Br)c([C@H](Br)C2(Br)CCC2)c(F)c1Cl 2023372490 JRUIUCSDWIWQQA-JTQLQIEISA-N 453.346 6.134 50 10 JKGE Fc1cc(Cl)c(Br)cc1[C@H](Cl)c1cccc(I)c1 2036571919 MTAMOUFKMYLZAR-CYBMUJFWSA-N 459.911 6.174 50 10 JKGE COc1cc(-c2cc(C(=O)NN=CC=Cc3ccccc3)n[nH]2)ccc1OCc1ccc(C)cc1 2040470100 DOJXZWIXEGGOQF-UHFFFAOYSA-N 466.541 5.402 50 10 JKGE CC(C)(C)OC(=O)NCCSSCCN[C@@H]1CCC[C@@H]1[C@@H]1CCCN1C(=O)OC(C)(C)C 2061265752 LKPDFNVVLDJKTN-OTWHNJEPSA-N 489.748 5.050 50 10 JKGE CC(C)Cc1ccc([C@@H](Br)c2cccc(Br)c2Br)s1 2092336613 ZQSXSBYLHDEPRW-HNNXBMFYSA-N 467.064 6.956 50 10 JKGE Cc1c(Br)sc([C@@H](Br)c2ccsc2C(F)(F)F)c1Br 2101414509 VHQUHNOSMTXYAS-ZETCQYMHSA-N 499.009 7.146 50 10 JKGE COCc1cc(Br)c([C@H](Br)c2nn(C)c(Cl)c2Br)s1 2110730620 LQSIXONNJNLBHZ-SSDOTTSWSA-N 493.446 5.291 50 10 JKGE Brc1csc([C@H](Br)c2ccc(Br)c3ccccc23)c1 2115923901 JEPUJIMZEQGMPK-OAHLLOKOSA-N 461.016 6.911 50 10 JKGE CC(C)(C)OC(=O)N1CCC(CI)(OC[C@@H]2C[C@H]2C2CCCCC2)CC1 2135787743 DFKSZTOWUFPQBB-ROUUACIJSA-N 477.427 5.424 50 10 JKGE Cc1ccc(Br)c([C@H](Br)c2cc(Br)c(Cl)cc2C)c1 2137641412 CZBLXKYLPJQTJG-OAHLLOKOSA-N 467.426 6.966 50 10 JKGE C[C@]1([C@@H](Br)c2cc(I)cc3c2OCC3)C[C@@H]1C(F)(F)F 2156889274 JJNALDPBZHUEHO-DRZSPHRISA-N 461.059 5.251 50 10 JKGE C[C@]1(C(F)(F)F)C[C@H]1[C@@H](Br)c1cc(I)cc2c1OCC2 2161821786 JZZRFJMLQUXVBO-GVXVVHGQSA-N 461.059 5.251 50 10 JKGE CC(C)(C)OC(=O)NCC[S@](=O)(=NC[C@@H](CBr)C(C)(C)C)c1ccccc1 2163662059 SBMSMNYYWDKQKH-CHAGWJKLSA-N 461.466 5.095 50 10 JKGE COc1ccc(Br)c(CC[C@@H](Br)c2ccc(Br)cc2)c1 2169798245 BGNSVWNXRGJAHI-OAHLLOKOSA-N 463.007 6.289 50 10 JKGE Cc1cc(Br)c(C)c([C@@H](Br)c2c(C)cccc2C)c1Br 2201070381 BHPHTYUGSVFJEG-KRWDZBQOSA-N 461.035 6.930 50 10 JKGE COc1c(Br)cc(C)cc1[C@H](Cl)c1ccc(F)cc1I 2203815478 VRLXUWJCRXHSMO-CQSZACIVSA-N 469.519 5.838 50 10 JKGE Fc1cc(Br)c(Br)cc1[C@@H](Cl)c1ncsc1Br 2213491072 AFSOCDHEFJIJOV-MRVPVSSYSA-N 464.379 5.898 50 10 JKGE CC1([C@@H](Br)c2cc(Br)c(Br)cc2F)CC(F)(F)C1 2218596643 HFNPKOGZPBMNRB-JTQLQIEISA-N 450.918 6.222 50 10 JKGE Fc1cc(Br)c(Br)cc1[C@@H](Br)[C@@H]1CC12CCCCC2 2225615251 FHLCTOPWBSDLPQ-IINYFYTJSA-N 455.003 6.757 50 10 JKGE C[C@H]1OC2(C)CC1([C@H](Br)c1cc(Br)c(Br)cc1F)C2 2225617560 UQPIYTWUKPKGBF-HOTJBBEQSA-N 456.975 5.744 50 10 JKGE Cc1sc([C@H](Cl)c2c(Br)cc(F)c(Cl)c2F)cc1Br 2226089390 PLJAKKOVKXJPLF-NSHDSACASA-N 450.957 6.841 50 10 JKGE COc1ccc([C@H](Br)c2c(C)sc(Br)c2C)c(Br)c1 2232078841 DSCNYESDSHRHEC-ZDUSSCGKSA-N 469.036 6.383 50 10 JKGE CC(C)C[C@@H](C(C)C)[C@H](Br)c1c(Br)cc(Cl)c(Cl)c1Cl 2232519421 KOWZKHUWDDCCDU-ZANVPECISA-N 465.484 8.164 50 10 JKGE O=C(c1c(Br)cccc1Br)N1CCC[C@H](CCCBr)C1 2234197122 VKNJELRWMGKNSS-NSHDSACASA-N 468.027 5.239 50 10 JKGE Cc1ccc([C@H](C)[C@H](Br)c2ccc(Br)c(C)c2Br)cc1 2240825962 ZHXOLVKNENXFMQ-ZBEGNZNMSA-N 461.035 7.068 50 10 JKGE Brc1ccc(Br)c([C@@H](Br)c2cocc2Br)c1 2244216069 IKGSYFRXYSAHKC-LLVKDONJSA-N 473.784 6.051 50 10 JKGE COc1ccc([C@H](Br)c2sncc2Br)cc1I 2248896792 VGOWVRJVOOHLDQ-JTQLQIEISA-N 488.970 5.003 50 10 JKGE COc1c(Br)cc(Cl)cc1[C@H](Br)c1cc(Br)cs1 2263453533 ZIMLIHCPYBFYGK-NSHDSACASA-N 475.427 6.419 50 10 JKGE Cc1cc(Cl)c(Cl)cc1[C@H](Cl)c1ccc(Br)cc1I 2264375339 QXKPTQPTGYQCMM-CQSZACIVSA-N 490.393 6.997 50 10 JKGE CC(C)(C)OC(=O)N1CCC[C@@](CI)(OCC[C@H]2CCCCC23CC3)C1 2264858737 DRVDPZSUISLVCQ-UTKZUKDTSA-N 477.427 5.568 50 10 JKGE CC(C)(C)CCN(CCBr)Cc1c(Br)cccc1Br 2274230072 NJQNAOGDHFNCKX-UHFFFAOYSA-N 456.060 5.845 50 10 JKGE Cc1cc(C(F)(F)F)sc1[C@@H](Cl)c1sc(Br)cc1Br 2277703753 HLUOFWLAODGCTD-MRVPVSSYSA-N 454.558 6.990 50 10 JKGE Brc1cc(Br)cc(C[C@H](Br)C2(CC3CCC3)CC2)c1 2277957941 YUGQVFPRUJNQRB-HNNXBMFYSA-N 451.040 6.488 50 10 JKGE COc1cc(OC)c([C@H](Br)c2cc(Br)sn2)cc1Br 2278015256 KHIXFPWOKLHRNO-LBPRGKRZSA-N 471.996 5.170 50 10 JKGE COc1cccc([C@H](Br)c2cc(Br)c(Br)cc2F)c1Cl 2283567291 AIKSYPRSTJOROS-ZDUSSCGKSA-N 487.388 6.497 50 10 JKGE COc1c([C@H](Br)c2cc(Cl)c(Cl)s2)cc(Br)c(C)c1C 2284582472 GAVVSQFCDRHIDF-LBPRGKRZSA-N 459.030 6.927 50 10 JKGE COc1ccc([C@@H](Br)c2c(F)ccc(Cl)c2F)cc1I 2285011209 QHISEJFIQASYDA-CYBMUJFWSA-N 473.482 5.716 50 10 JKGE CCOc1cc(C=C(C#N)C(=O)Nc2cccc(Cl)c2)ccc1OCc1ccccc1F 2294146987 PRRYERPZNPGUOS-UHFFFAOYSA-N 450.897 6.002 50 10 JKGE CC1(C)C[C@H]([C@@H](Br)Cc2cc(Br)cc(Br)c2)C(C)(C)O1 2295340415 WKLHKMQFOVAYCQ-KGLIPLIRSA-N 469.055 6.111 50 10 JKGE COc1ccc(Br)cc1C=C(C#N)c1nc(-c2cccs2)c(NC(C)=O)s1 2296846445 NDIBNERWNPTZNU-UHFFFAOYSA-N 460.378 5.665 50 10 JKGE CSC(NC(=O)c1ccccc1)=C(C#N)[C@H](CC(=O)c1ccccc1)c1ccccc1Cl 2297551147 ROLSTKBUVWCZAT-OAQYLSRUSA-N 460.986 6.225 50 10 JKGE COc1cc(C=C(C#N)c2nc3cc(C)c(C)cc3[nH]2)ccc1OCc1ccc(C(=O)O)cc1 2297560211 ZHEXFBYYHTUNDU-UHFFFAOYSA-N 453.498 5.530 50 10 JKGE N#CC(=Cc1ccc(OCC(=O)Nc2ccc(OC(F)F)cc2)cc1)c1nc2ccccc2[nH]1 2297560732 FQPCVMQIYAAULC-UHFFFAOYSA-N 460.440 5.246 50 10 JKGE Brc1ccc(OCc2ccccc2)c([C@H](Br)C[C@H]2C[C@H]2C2CC2)c1 2299529480 BZXYGTGQQDFCRI-IMFGXOCKSA-N 450.214 6.900 50 10 JKGE Cc1cc([C@H](Br)c2ccc(Cl)cc2I)sc1Cl 2301795161 SHCIFANXCLONCV-LLVKDONJSA-N 461.977 6.452 50 10 JKGE FC1(F)[C@@H]2CC[C@@H]([C@H](Br)c3c(Br)sc(Br)c3Cl)[C@@H]21 2308643259 RZGXPVKWAYYWMN-SOWDYBQPSA-N 485.413 6.654 50 10 JKGE CCc1ccccc1NC(=O)C(C#N)=Cc1ccc(OCc2cccc(C(=O)O)c2)c(OC)c1 2313545715 AHVCQSNEERSQCV-UHFFFAOYSA-N 456.498 5.080 50 10 JKGE Cc1cc(C=C(C#N)C(=O)NCCc2c[nH]c3ccccc23)c(C)n1-c1ccc(C(C)C)cc1 2313556328 VVOGIZCAWCSQQG-UHFFFAOYSA-N 450.586 5.965 50 10 JKGE COc1cc(C=C(C#N)C(=O)Nc2ccc(Cl)cc2)ccc1OCc1cccc(C(=O)O)c1 2313562604 YWAOBJNRWKXEDS-UHFFFAOYSA-N 462.889 5.171 50 10 JKGE Brc1cc(OCc2ccccc2)ccc1[C@H](Br)C12CCC(CC1)OC2 2314447527 ZFNLBFHCPZYRND-WJAMPBCPSA-N 466.213 6.423 50 10 JKGE CC1(C)CO[C@H](C[C@@H](Br)c2ccc(OCc3ccccc3)cc2Br)C1 2314503206 PXXYDPMAESBHPZ-YLJYHZDGSA-N 468.229 6.669 50 10 JKGE Cc1c(Cl)sc(Cl)c1[C@H](Br)Cc1ccccc1I 2314516753 ADVYFPUPHQKNRW-SECBINFHSA-N 476.004 6.647 50 10 JKGE CCc1ccc(N2C(=O)[C@@H](Cc3ccccc3)SC2=C(C#N)C(=O)Nc2cccc(C)c2)cc1 2314591771 DQQJCBDAUGGHIO-RUZDIDTESA-N 467.594 5.622 50 10 JKGE CCCOc1ccc(C=C(C#N)C(=O)Nc2scc(-c3ccc(C)c(C)c3)c2C(=O)OCC)cc1 2314737680 JLASHZRXWQEHAM-UHFFFAOYSA-N 488.609 6.543 50 10 JKGE COc1ccc(C(C#N)=Cc2cccc(OC(=O)C=Cc3ccc([N+](=O)[O-])cc3)c2)cc1OC 2320511426 VKXCEWUNRNKTBN-UHFFFAOYSA-N 456.454 5.295 50 10 JKGE CCOC(=O)c1c(-c2ccc3c(c2)CCCC3)csc1NC(=O)C(C#N)=Cc1ccccc1 2325311277 WSXXMIPCLSMKKY-UHFFFAOYSA-N 456.567 6.016 50 10 JKGE Cc1ccc(COc2ccccc2C=NNC(=O)[C@H](Cc2ccccc2)NC(=O)OC(C)(C)C)cc1 2328827664 WBXSRFLKAFPAMY-VWLOTQADSA-N 487.600 5.160 50 10 JKGE C[C@@H](C(O)=C(C#N)c1nc(-c2ccc(-c3ccccc3)cc2)cs1)N1C(=O)c2ccccc2C1=O 2331231564 CHUCMSMVZJYUCV-KRWDZBQOSA-N 477.545 5.954 50 10 JKGE COc1ccc(-c2csc(C(C#N)=C(O)[C@H]3CC(=O)N(c4cc(Cl)ccc4OC)C3)n2)cc1F 2331336801 AGWDIDAUQWPEAX-AWEZNQCLSA-N 499.951 5.466 50 10 JKGE COc1c(Cl)cc(Cl)cc1-c1csc(C(C#N)=C(O)COc2c(C)ccc(C)c2C)n1 2331362583 DPJYYZDBQCHVTK-UHFFFAOYSA-N 475.397 6.922 50 10 JKGE COc1ccc(-c2csc(C(C#N)=C(O)[C@@H]3CC(=O)N([C@H](C)c4ccccc4)C3)n2)cc1Cl 2331398316 HJHJOQARDAHSFF-CRAIPNDOSA-N 479.989 5.874 50 10 JKGE COc1cc(C=C(C#N)c2nc(-c3ccc(-c4ccccc4)cc3)cs2)ccc1OC(C)C 2331414252 QOSXCFZJZSTRMD-UHFFFAOYSA-N 452.579 7.337 50 10 JKGE Cc1cc(Br)c(C)c([C@H](Br)[C@@H]2C[C@H]3CC[C@@H]2O3)c1Br 2332925872 SPFBUWXGXWFFGJ-DSKWVYQCSA-N 453.012 5.832 50 10 JKGE Cc1cc(Br)c([C@@H](Br)[C@@H]2C[C@H]2CC(C)C)c(C)c1Br 2333708900 RJVLWYJAPBEWPG-HSMVNMDESA-N 453.056 6.947 50 10 JKGE Fc1cc(Br)c(F)c(Br)c1[C@@H](Br)[C@@H]1CCC[C@@H]2C[C@@H]21 2334739804 QKSDZDCCKAJSCG-GYAIJENASA-N 458.966 6.362 50 10 JKGE COc1c(Br)cc(C)c([C@H](Br)C2CC(OC)C2)c1Br 2339655388 YIIOTEHKQZBJGJ-SHVIVCPWSA-N 457.000 5.390 50 10 JKGE Clc1ccc(COCc2ccc(CBr)cc2)c(I)c1 2340095887 PCMSRYJTKHDNCJ-UHFFFAOYSA-N 451.529 5.556 50 10 JKGE Clc1ccc(CO[C@H]2CCCCCC[C@@H]2Br)c(I)c1 2340109320 DHRRIQZZJQQRIM-ZFWWWQNUSA-N 457.577 5.948 50 10 JKGE CC(C)c1cccc([C@@H](Br)c2c(Br)sc(Br)c2Cl)c1 2343660299 FIRAATIHAMZPEX-LLVKDONJSA-N 487.482 7.534 50 10 JKGE CCc1nc([C@@H](Cl)c2c(F)cc(Cl)c(Br)c2Cl)c(Br)s1 2360424459 SRAUYFTVIFNJTP-JTQLQIEISA-N 482.427 7.005 50 10 JKGE Cc1c(Br)ccc([C@H](Br)c2cc(F)c(F)cc2F)c1Br 2361241892 IVSRPZPNKDMYDS-AWEZNQCLSA-N 472.924 6.422 50 10 JKGE Cc1cc(Br)c(F)c(Br)c1[C@H](Br)[C@@H]1C[C@H]2O[C@H]1[C@H]1C[C@H]12 2365189777 YLCRNZLSSFWZDG-COJGBKCKSA-N 468.986 5.519 50 10 JKGE Cc1cc(Br)c(F)c(Br)c1[C@H](Br)C[C@H]1CCCC12CC2 2365197275 UQXJVJMKFHWMAA-GHMZBOCLSA-N 469.030 7.066 50 10 JKGE Cc1nsc(Br)c1[C@@H](Br)c1cc2c(cc1Br)OCCC2 2369615285 ICQVNRDBCBYJSP-ZDUSSCGKSA-N 482.035 5.786 50 10 JKGE N#CC1=C(N)N2C(=C(C#N)[C@H]1c1ccc(-c3ccc(Cl)cc3Cl)o1)Sc1ccccc12 2422631 QRPUNVUYQLDGCG-NRFANRHFSA-N 463.349 6.392 50 10 JKGE Cc1ccc(/N=N/c2cc(C)ccc2N(NS(=O)(=O)c2ccccc2)C(=O)c2ccccc2)cc1 15770027 LUNCIYUJEFNOFE-ZQHSETAFSA-N 484.581 6.259 50 10 JKGE CCOc1ccc(/C=C/C(=O)Oc2ccc(/C=C(/C#N)c3ccc(OC)c(OC)c3)cc2)cc1OC 31901114 ZHAUAGQQOUSCIL-CKWWZSKKSA-N 485.536 5.794 50 10 JKGE COc1cc(/C=C(/C#N)c2ccc(Cl)cc2)ccc1OC(=O)c1cccc(Br)c1 31902129 PIVATEFRHOVFOR-WQRHYEAKSA-N 468.734 6.394 50 10 JKGE CCCCCCOc1ccc(/C=C(/C#N)C(=O)Nc2sc3c(c2C#N)CC[C@H](C)C3)cc1OC 33677408 RJHXFAQLRYMXCZ-HJHGFDQJSA-N 477.630 6.258 50 10 JKGE CCCOc1ccccc1[C@@H]1C(C#N)=C(N)Oc2cc(OC(=O)COc3cc(C)cc(C)c3)ccc21 38681699 RILHSTXIBAKFDY-NDEPHWFRSA-N 484.552 5.295 50 10 JKGE CCCCOc1cccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4ccccc4F)ccc32)c1 38685218 MXGRPKNKTJZHDZ-RUZDIDTESA-N 458.489 5.442 50 10 JKGE CCCCCOc1ccccc1[C@@H]1C(C#N)=C(N)Oc2cc(OC(=O)c3ccccc3Cl)ccc21 38686017 VHVMMGDTXQMHGO-SANMLTNESA-N 488.971 6.346 50 10 JKGE C=CCOc1cccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4ccc(Cl)cc4Cl)ccc32)c1 40529830 ZZQYIQJITPHDGH-XMMPIXPASA-N 493.346 5.996 50 10 JKGE Cc1ccc(OC(=O)c2oc3c(c2C)/C(=N/NC(=O)Cc2coc4cc(C)cc(C)c24)CCC3)cc1 40827010 WYMZFTIBEWWRRG-JBASAIQMSA-N 484.552 5.878 50 10 JKGE CCCOc1ccccc1/C=C(\C#N)C(=O)Nc1sc(-c2ccccc2)cc1C(=O)OCC 40948926 GFUAHLOWQGEIKE-HMMYKYKNSA-N 460.555 5.926 50 10 JKGE C[C@@H](NC(=O)/C(C#N)=C/c1cc(Br)ccc1OCc1ccc(F)cc1)c1ccccc1 59297263 GBTQZORBNKSAIA-VYVDHXHBSA-N 479.349 5.952 50 10 JKGE O=C(N/N=C(/CSc1nc2ccccc2s1)c1ccc2ccccc2c1)c1ccccc1O 59460783 BWKYJMWRNNLEBF-SLMZUGIISA-N 469.591 6.082 50 10 JKGE COc1ccc(/C=C(/C#N)C(=O)N2N=C3/C(=C\c4ccccc4)CCC[C@@H]3[C@@H]2c2ccccc2)cc1 89438465 WBSOGOCKXCLARZ-DTJGRLRBSA-N 473.576 6.425 50 10 JKGE COc1ccc([C@@H](C(=O)NC2CCCCCC2)N(Cc2ccc(C)cc2)C(=O)CCl)cc1 97915002 NMKDSUGQVBKTKU-VWLOTQADSA-N 457.014 5.151 50 10 JKGE Cc1cc(OCc2ccc(C(=O)N/N=c3\c(=O)c4cccc5cccc3c54)cc2)ccc1Cl 105495656 GLSFBIXDCHSFCA-GNVQSUKOSA-N 454.913 5.015 50 10 JKGE CCOc1ccc([C@H](Br)c2cccc(I)c2)cc1OCC 109852403 AHICMFLEIDDHNE-QGZVFWFLSA-N 461.137 5.573 50 10 JKGE O=C(NC1=CCCCC1)[C@@H](c1cccs1)N(C(=O)CCl)c1cccc(C(F)(F)F)c1 117416149 SFICQQGPLJYJRO-LJQANCHMSA-N 456.917 5.654 50 10 JKGE COc1cc(Br)c(OC[C@@H](CBr)C(C)(C)C)cc1Br 118642134 GNPHMDPOLRNOEE-SECBINFHSA-N 459.016 5.656 50 10 JKGE ClCC(CCl)(Cc1ccc(I)cc1)c1ccc(Br)cc1 118874575 BJJBSZCBIOLBNN-UHFFFAOYSA-N 484.002 6.012 50 10 JKGE Brc1cc([C@@H](Br)Cc2nc3ccccc3s2)sc1Br 128993663 PBAJABHQVWFKCH-ZETCQYMHSA-N 482.060 6.562 50 10 JKGE COc1cc(Br)ccc1[C@@H](Cl)c1cc(Br)ccc1Br 135306924 ILKDWTOWSGQYGC-CQSZACIVSA-N 469.398 6.311 50 10 JKGE Cc1ccc([C@H](Br)c2cc(Br)ccc2Br)c(Br)c1 163909783 WRVWOFVRKVXGSS-AWEZNQCLSA-N 497.850 6.767 50 10 JKGE Clc1sc([C@H](Br)Cc2ccc(Br)cc2)cc1Br 227847453 XFTPPNDWCQFXGC-SECBINFHSA-N 459.428 6.605 50 10 JKGE Brc1cc([C@@H](Br)c2cc(Br)sc2Br)cs1 232484058 YVGZHHZCMPOSTH-MRVPVSSYSA-N 495.881 6.581 50 10 JKGE CC(C)(C)C[C@@H](Br)CNC(=O)c1cc(Br)cc(Br)c1 232494633 LYPDGGIOXIJZGH-GFCCVEGCSA-N 456.016 5.141 50 10 JKGE Cc1cc(Br)c([C@@H](Cl)c2csc(Br)c2)cc1Br 235815415 RRKUQHSCIRDJKT-LBPRGKRZSA-N 459.428 6.672 50 10 JKGE CCCCN(CCCC)CN1C(=O)C(=NNC(=O)c2ccc(C)cc2)c2cc(Br)ccc21 254557031 BYRNCKCHTNPYKA-UHFFFAOYSA-N 499.453 5.098 50 10 JKGE CCOc1ccc(-c2cc(C(=O)NN=C[C@H](C)c3ccc(OC)cc3)c3ccccc3n2)cc1 254701745 SSWOEIMWCLOJGO-IBGZPJMESA-N 453.542 5.828 50 10 JKGE COC1(CCOc2c(Br)cc(Br)cc2CBr)CCC1 311943068 WOIKXQJTNSZVLX-UHFFFAOYSA-N 457.000 5.445 50 10 JKGE Cc1c(Br)cccc1[C@@H]1CN(C(=O)OCc2ccccc2)C[C@H]1CBr 382687788 IFGVPXNHCYFAOL-SJLPKXTDSA-N 467.201 5.505 50 10 JKGE CCc1ccc(COc2c(Br)cc(Br)cc2CBr)cc1 383552334 HNOQUJSBJHLVMQ-UHFFFAOYSA-N 463.007 6.248 50 10 JKGE C[C@@H](Cl)c1nc2cc(Cl)cnc2n1CCCN(Cc1ccccc1)Cc1ccccc1 390592054 SNQJYWSHZCEPEM-LJQANCHMSA-N 453.417 6.477 50 10 JKGE CC(C)(C)[Si](C)(C)OCCN1CCN[C@@H](c2ccc(CO[Si](C)(C)C(C)(C)C)cc2)C1 616656984 WQKGQECJHMMPDH-HSZRJFAPSA-N 464.843 6.177 50 10 JKGE CCOC(C)(C)CC(CBr)(CBr)c1ccccc1Br 702661721 SCYKBBQQTNNRMT-UHFFFAOYSA-N 457.044 5.682 50 10 JKGE Clc1ccc(C(CBr)(CBr)Cc2ccncc2Br)cc1 702865071 YMGCTDUJMOUPGD-UHFFFAOYSA-N 482.441 5.768 50 10 JKGE BrCc1cc(Br)c(OC[C@@H]2CC[C@H](C3CC3)O2)c(Br)c1 715464591 BIOIUXMTYXQUAC-SMDDNHRTSA-N 469.011 5.443 50 10 JKGE CCCCCCOc1ccc([C@H]2CN(C(=O)OC(C)(C)C)C[C@H]2CI)cc1 725431392 VWVAWKLPFLTZFS-UYAOXDASSA-N 487.422 6.031 50 10 JKGE CCCOc1c(I)cc(/C=C(\C#N)C(=O)Nc2ccc(C)cc2)cc1OCC 1084113236 WNFBSJIGBYDINC-GZTJUZNOSA-N 490.341 5.333 50 10 JKGE O=C(NN=C(CSc1nc2ccccc2[nH]1)c1ccc([N+](=O)[O-])cc1)c1ccccc1Cl 1084381708 CUHNTSZKHXBODP-UHFFFAOYSA-N 465.922 5.051 50 10 JKGE Cc1c(C(=O)Nc2cccc3ccccc23)oc2c1C(=NNC(=O)Cc1ccc([N+](=O)[O-])cc1)CCC2 1772747630 RINVVTRLODNXFP-UHFFFAOYSA-N 496.523 5.301 50 10 JKGE CCCCCCOc1ccc(C=NNC(=O)COc2ccc(Br)cc2CC)cc1 1772755579 MUNZJRNENQALLC-UHFFFAOYSA-N 461.400 5.500 50 10 JKGE CCOc1c(Br)cc(C=NNC(=O)[C@H](C)Oc2cc(C)c(Cl)c(C)c2)cc1OC 1772755685 CTGYKBDFVJSUEP-AWEZNQCLSA-N 483.790 5.044 50 10 JKGE C=CCOc1ccccc1[C@@H]1C(C#N)=C(N)Oc2c1c(-c1ccccc1)nn2Cc1ccccc1Cl 1865691044 HVUPUVOJGWNJJC-RUZDIDTESA-N 494.982 6.035 50 10 JKGE COc1cc([C@H]2C(C#N)=C(N)Oc3c2c(-c2ccccc2)nn3-c2ccc(C)cc2)cc(OC)c1OC 1865693848 ZTQQQCUIHGHPIG-DEOSSOPVSA-N 494.551 5.092 50 10 JKGE CCc1nn(-c2cccc(Cl)c2)c2c1[C@H](c1cc(Br)ccc1F)C(C#N)=C(N)O2 1865701730 CYUXDLZPORQBPA-GOSISDBHSA-N 473.733 5.208 50 10 JKGE COC(=O)c1c(NC(=O)/C(C#N)=C/c2ccc(Cl)cc2)sc(C)c1-c1ccc(C)c(C)c1 1866128450 SFBOJZQDBXLNKQ-XDHOZWIPSA-N 464.974 6.326 50 10 JKGE Cc1cc(C(=O)N[C@@H](C(=O)Nc2ccc(SC#N)cc2)c2ccccc2)nn1-c1ccccc1F 1867172423 QOQMTUBCNIGRMR-XMMPIXPASA-N 485.544 5.003 50 10 JKGE N#CSc1ccc(Nc2cc(N3CCC[C@@H](Oc4ccccc4)C3)nc(-c3ccccc3)n2)cc1 1868365532 RTKPCHVJOFBUGI-XMMPIXPASA-N 479.609 6.508 50 10 JKGE CCOc1ccc(-c2csc(/C(C#N)=C(O)/C=C/c3cc(OC)ccc3OC)n2)c(OCC)c1 1872755229 DMGGQFWNILZCKY-DBOIZRAYSA-N 478.570 6.131 50 10 JKGE COc1cc(Br)cc(/C=C(\C#N)c2nc(-c3cc(C(C)(C)C)ccc3C)cs2)c1O 1872794025 GGYGKBSLAGCXSD-LZYBPNLTSA-N 483.431 6.957 50 10 JKGE CC1(C)CC([C@H](Br)c2cc(Br)sc2Br)CC(C)(C)C1 1878993355 GPUAUEYPZBFBQU-LBPRGKRZSA-N 473.112 7.562 50 10 JKGE O=C(Cc1ccc(Br)cc1F)N(Cc1ccccc1)[C@@H](CBr)C1CC1 1915263283 FJWWFLAXDGVIJO-IBGZPJMESA-N 469.192 5.333 50 10 JKGE Cn1cc(Br)c([C@@H](Br)c2sc(Br)cc2Br)n1 1922897061 KQSWOGHCJCGQBT-SSDOTTSWSA-N 493.844 5.253 50 10 JKGE Cc1ccc(Br)cc1[C@H](Cl)c1c(Br)sc(Br)c1Cl 1923039741 QOJCJGMKJHYGDB-VIFPVBQESA-N 493.873 7.326 50 10 JKGE CC(C)(C[C@@H](Br)c1c(Br)sc(Br)c1Cl)C1CC1 1923050146 QTYWBJRKMPSMMU-SSDOTTSWSA-N 465.476 7.189 50 10 JKGE Clc1c(Br)sc(Br)c1[C@H](Br)[C@@]12CCCC[C@H]1OCC2 1923067804 IWZYPJYDQTZIKK-LIEFSGRHSA-N 493.486 6.712 50 10 JKGE Clc1c(Br)sc(Br)c1[C@H](Br)C[C@@H]1CCCOCC1 1923068922 YUVBIITXFHGCFF-HTQZYQBOSA-N 481.475 6.569 50 10 JKGE Cc1occc1[C@@H](Br)c1c(Br)sc(Br)c1Br 1924577126 XNGFBXDQWKILLV-SSDOTTSWSA-N 493.840 6.421 50 10 JKGE COC1CC([C@H](Cl)c2c(Br)sc(Br)c2Br)C1 1924614334 XSSSRETXSJQCBC-YXFGPURMSA-N 453.421 5.741 50 10 JKGE Clc1sc(Br)c(Cl)c1[C@@H](Br)c1cccc(Br)c1 1925571895 WRKOYXMBBBVRIB-QMMMGPOBSA-N 479.846 7.064 50 10 JKGE C[C@@H](Cl)c1nc2cncc(Br)c2n1CCCN(Cc1ccccc1)Cc1ccccc1 1946434770 NTOZLNVDWJGVLV-LJQANCHMSA-N 497.868 6.586 50 10 JKGE Cc1cc(Br)c([C@@H](Br)c2cc(Br)c(Cl)s2)s1 1981406430 DJTBGBPVZRFLMF-QMMMGPOBSA-N 465.457 6.781 50 10 JKGE Brc1ccc([C@@H](Br)c2occc2Br)c(Br)c1 1994122442 MGCLEUTTYHKQEQ-SNVBAGLBSA-N 473.784 6.051 50 10 JKGE Cc1c(Br)ccc([C@H](Cl)c2csc(Br)c2)c1Br 2024278891 IBSIHVJSHYEUFD-GFCCVEGCSA-N 459.428 6.672 50 10 JKGE C[C@H](Cl)c1nc2cc(I)ccc2n1[C@H]1CC[C@H]1OCc1ccccc1 2038729445 OXNIMXWMWRVROH-FASAQXTFSA-N 466.750 5.861 50 10 JKGE N#CC(C(=O)CSc1nc(-c2ccccc2)c(-c2ccccc2)o1)=C1NC(c2cccs2)=CS1 2040500289 YSJVFRRXNUXGRC-UHFFFAOYSA-N 499.642 6.801 50 10 JKGE COc1c(Br)cc(C)cc1[C@H](Br)c1cc(Br)sn1 2083445773 MCCNNPMCOQNQGI-NSHDSACASA-N 455.997 5.469 50 10 JKGE Cc1sc(Br)c([C@H](Br)c2cc(Cl)c(Br)cc2F)c1C 2101002761 FTRCWGUVKJDSCS-GFCCVEGCSA-N 491.445 7.167 50 10 JKGE CO[C@@H]1C[C@]2([C@H](Br)c3c(C)c(Br)cc(C)c3Br)C[C@@H]12 2136371723 PXZYFMWLZZQVEQ-FOOGCRFISA-N 453.012 5.689 50 10 JKGE Fc1cc(Br)c([C@H](Cl)c2ccccc2I)c(F)c1Cl 2136966105 GSBSVPVBQQQRAI-LLVKDONJSA-N 477.901 6.314 50 10 JKGE Cc1cc(Cl)c(Br)cc1[C@H](Br)c1cccc(C)c1Br 2137643975 WNJXOQXQMNCIRH-OAHLLOKOSA-N 467.426 6.966 50 10 JKGE Cc1c(Br)ccc([C@@H](Br)[C@]2(C)CCCC2(F)F)c1Br 2138870507 JHNGJQXBSWMNGB-OLZOCXBDSA-N 460.982 6.782 50 10 JKGE Cc1cc([C@H](Br)c2cc(Cl)c(F)cc2C)ccc1I 2142102874 CBTUOGGPFYOCJA-HNNXBMFYSA-N 453.520 6.185 50 10 JKGE C[C@H](Br)C[C@@H]1CCCCCN1Cc1cccc(Br)c1Br 2148760272 KVTKHRVNZLXVHY-JSGCOSHPSA-N 468.071 6.130 50 10 JKGE Fc1ccc(Br)c(F)c1CC[C@H](Br)c1ccccc1Br 2169748316 MIQXKXMEJJRUTA-LBPRGKRZSA-N 468.961 6.559 50 10 JKGE Cn1cc([C@@H](Br)c2ccc(Br)c3ccccc23)c(Br)n1 2173183086 OHZAXVOVRJMNME-AWEZNQCLSA-N 458.979 5.583 50 10 JKGE Brc1ccc(O[C@@H]2C[C@H](Br)[C@]23CCCC32CC2)c(Br)c1 2173659631 PNLRPZRLQADNLT-SQWLQELKSA-N 465.023 6.077 50 10 JKGE COCC1(COC)C[C@@H](c2c(Br)cccc2Br)[C@H](Br)C1 2190808952 BWTZISYXXICGIK-ZWNOBZJWSA-N 471.027 5.132 50 10 JKGE Cc1cc(Br)c(C)c([C@@H](Br)[C@@H]2CCCCC2(C)C)c1Br 2201073407 ZZIIBWJAZDKVGE-LRDDRELGSA-N 467.083 7.481 50 10 JKGE Clc1cc(CN2CCC[C@@H]3CC[C@H](Br)C[C@@H]32)ccc1I 2208027418 ABPJAQSSRKWKBD-WWGRRREGSA-N 468.604 5.473 50 10 JKGE Cc1cc(Br)c([C@@H](Cl)c2ccc(I)cc2)c(C)c1Cl 2224313607 UTKGDOOZLMOLCI-HNNXBMFYSA-N 469.975 6.652 50 10 JKGE COc1ccsc1[C@H](Br)c1c(Br)cc(C)c(Br)c1C 2227351101 JTJULPWPTXQPNW-CYBMUJFWSA-N 469.036 6.383 50 10 JKGE Fc1cc(Br)c(Br)cc1[C@H](Br)[C@]12CCCC[C@@H]1CCC2 2233973815 BPQOHFHELJUDOA-VFVAKGGASA-N 469.030 7.147 50 10 JKGE CCOc1ccc(Br)cc1[C@H](Cl)c1cc(C)ccc1I 2240994597 ADGWAWGQCLWIHA-MRXNPFEDSA-N 465.556 6.089 50 10 JKGE CN(C[C@H](Br)COCc1ccccc1)C(=O)c1scc(Br)c1Cl 2242665711 GZDNKUDHFCAOAW-LBPRGKRZSA-N 481.637 5.216 50 10 JKGE Cc1sc([C@@H](Br)c2cc(Br)ccc2Cl)c(Br)c1C 2253505565 RTJLEVLSYTZPCQ-LBPRGKRZSA-N 473.455 7.028 50 10 JKGE Clc1cccc(C[C@H](Br)c2ccc(Cl)c(I)c2)c1 2256361595 YFZNASRRLPSIQT-LBPRGKRZSA-N 455.948 6.277 50 10 JKGE COc1ccc([C@H](Br)c2ccc(Br)cc2)c(Br)c1Cl 2268265966 MHZKGVUTCSHLLZ-GFCCVEGCSA-N 469.398 6.358 50 10 JKGE CCCCCCCC[C@H](Br)Cc1cc(Br)cc(Br)c1 2277963935 ANAYLLGTVFNEFG-AWEZNQCLSA-N 455.072 7.268 50 10 JKGE Brc1cc(Br)cc(C[C@H](Br)CC2CC3(CCC3)C2)c1 2277967262 ZOOYYGBMPHWFPJ-ZDUSSCGKSA-N 451.040 6.488 50 10 JKGE C[C@@H]1C[C@@H]1CCCCO[C@](C)(CI)c1ccccc1Br 2284094808 HOERVBRLALIFSQ-JKIFEVAISA-N 451.186 5.942 50 10 JKGE Fc1cc(Br)c(F)c(Br)c1[C@@H](Br)[C@@H]1COCCC1(F)F 2288353479 JNMAYQLKTFUOGB-CDUCUWFYSA-N 484.907 5.598 50 10 JKGE COc1cc(C=C(C#N)C(=O)NCCc2c[nH]c3ccccc23)ccc1OCc1ccccc1F 2294172063 YZHUUWXJCMXZCW-UHFFFAOYSA-N 469.516 5.160 50 10 JKGE COc1ccc2nc(C(C#N)=Cc3ccc(OCC(=O)Nc4ccc(C)cc4)c(Cl)c3)[nH]c2c1 2294284557 DFMSPRIZXVFFFR-UHFFFAOYSA-N 472.932 5.615 50 10 JKGE COc1cc(OC)c([C@@H](Br)c2scc(Cl)c2Cl)cc1Br 2295432714 LBSBNAVFUCAYQQ-LLVKDONJSA-N 461.002 6.319 50 10 JKGE CCCCOC(=O)c1ccc(NC(=O)C(C#N)=Cc2ccc(-c3cc(Cl)ccc3Cl)o2)cc1 2296818159 RPHJVQLCXOTRTP-UHFFFAOYSA-N 483.351 6.756 50 10 JKGE Cc1ccc(C)c(CSC(Nc2cc(C)ccc2C)=C(C#N)S(=O)(=O)c2ccccc2)c1 2297350165 KECXETGXKWYUBW-UHFFFAOYSA-N 462.640 6.432 50 10 JKGE CO[C@@H]1CC[C@@H]1C[C@@H](Br)c1ccc(OCc2ccccc2)cc1Br 2299499394 XRSNYCGKRQLXJH-XFQXTVEOSA-N 454.202 6.279 50 10 JKGE CC[C@]1([C@@H](Br)c2cc(Br)ccc2OCc2ccccc2)CCCO1 2299503783 INKHFZDXDQFAAE-VQTJNVASSA-N 454.202 6.423 50 10 JKGE Cc1nn(C)c([C@@H](Br)c2sc(Cl)cc2I)c1Cl 2301082718 BQWHUXOHJVVFBR-SSDOTTSWSA-N 465.969 5.186 50 10 JKGE C=CCOc1c(Br)cc(C=C(C#N)C(=O)Nc2ccc(C)c(C)c2)cc1Br 2313511196 TWQWKUNOVHMXMW-UHFFFAOYSA-N 490.195 5.939 50 10 JKGE O=C(NN=C(C=Cc1ccccc1)C=Cc1ccccc1)c1ccc(NC(=O)c2ccccc2)cc1 2313623818 FQEVVHKGXVEHPV-UHFFFAOYSA-N 471.560 6.452 50 10 JKGE Cc1ccc(COc2ccc(Br)cc2C=C(C#N)C(=O)Nc2ccccc2C)cc1 2313667909 XMZZVNIPGMFGBB-UHFFFAOYSA-N 461.359 6.191 50 10 JKGE CCOc1cc(C=C(C#N)C(=O)Nc2cccc(C(F)(F)F)c2)c(Br)cc1O 2313675560 BHLFIDNVYVVGHH-UHFFFAOYSA-N 455.230 5.118 50 10 JKGE Cc1ccccc1NC(=O)C(C#N)=C1S[C@@H](Cc2ccccc2)C(=O)N1c1ccc(C(C)C)cc1 2314591996 JCNNRODELINBGX-SANMLTNESA-N 481.621 6.183 50 10 JKGE COc1ccc(CN2C(=O)C(=Cc3ccc(OCc4ccc(Cl)cc4)cc3)C(C)=C(C#N)C2=O)cc1 2314617293 VMFNIXOKUXIJCS-UHFFFAOYSA-N 498.966 5.720 50 10 JKGE Brc1cc(OCc2ccccc2)ccc1[C@H](Br)C[C@H]1CC[C@H]1C1CC1 2319482481 IFOWXGDTADEGIS-SLYNCCJLSA-N 464.241 7.290 50 10 JKGE CC(C)(C)OC(=O)N1CCC[C@H](C(=O)NN=Cc2ccc(OCc3ccc(Cl)cc3)cc2)C1 2321721431 FRGMKZXCRUBRHR-FQEVSTJZSA-N 471.985 5.016 50 10 JKGE CCc1cccc(CC)c1NC(=O)C(C#N)=CN1CCN(C(c2ccccc2)c2ccccc2)CC1 2325119167 MMJDUMCZVSIVHA-UHFFFAOYSA-N 478.640 5.565 50 10 JKGE C[C@@H](Br)CN(Cc1ccc(I)c(Br)c1)C1CCC1 2325215015 VJFMPUTYLZJCAQ-SNVBAGLBSA-N 487.017 5.192 50 10 JKGE Brc1cccc(Br)c1CN1CC[C@H]2CC[C@@H](Br)[C@@H]1C2 2330961942 BSAHGFYZKAOZII-KMUNFCNLSA-N 452.028 5.350 50 10 JKGE COc1cc(C=CC(O)=C(C#N)c2nc(-c3ccc(Br)cc3)cs2)cc(OC)c1OC 2331260556 NPWMVXYOHMYDOZ-UHFFFAOYSA-N 499.386 6.104 50 10 JKGE CCCOc1ccc(-c2csc(C(C#N)=C(O)COc3ccc(C)cc3C)n2)cc1OCCC 2331293313 VPNUYYBJLFAEGR-UHFFFAOYSA-N 478.614 6.876 50 10 JKGE CCCOc1ccc(-c2csc(C(C#N)=C(O)[C@H]3CC(=O)N(C(C)C)C3)n2)cc1OCCC 2331293521 UQMQTAOTXMZVIU-SFHVURJKSA-N 469.607 5.437 50 10 JKGE CC(C)Oc1ccc(C=C(C(O)=C(C#N)c2nc(-c3cccc(Cl)c3)cs2)c2ccccc2)cc1 2331294059 LKPAUQDIJJWZPU-UHFFFAOYSA-N 499.035 8.284 50 10 JKGE CCCOc1ccc(-c2csc(C(C#N)=C(O)C=Cc3ccc(OCC)c(OC)c3)n2)cc1 2331318519 UPFWZXHGWKUWPP-UHFFFAOYSA-N 462.571 6.512 50 10 JKGE COc1cc(C(O)=C(C#N)c2nc(-c3cc(Cl)c(OC)c(Cl)c3)cs2)cc(OC)c1OC 2331396593 SXLXJUKEBPHRSL-UHFFFAOYSA-N 493.368 6.101 50 10 JKGE Fc1c(Br)cc(Cl)c([C@H](Br)[C@@H]2C[C@@]23CCOC3)c1Br 2337084466 LSEWFSHYHKPRJF-BCYKBWKHSA-N 477.393 5.867 50 10 JKGE CCC[C@@H]1CN(Cc2ccc(Cl)c(I)c2)C[C@@H]1CBr 2337217982 CZUKRDXARZJCBO-OLZOCXBDSA-N 456.593 5.188 50 10 JKGE C[C@]1(C(F)(F)F)C[C@@]1(CBr)Cc1ccc(Cl)c(I)c1 2337223833 RLYLPKSSNNCMCT-NWDGAFQWSA-N 467.494 5.841 50 10 JKGE Cc1cc(Br)c(F)c(Br)c1[C@H](Br)[C@@H]1CCOC[C@H]1C 2339673406 ALKHYYPJGNXMKZ-KBVBSXBZSA-N 458.991 5.768 50 10 JKGE CCC[C@@H]1CC[C@H](Cl)[C@@H](Cc2ccc(I)c(Br)c2)C1 2349778371 KNYKHVFAFJBOSM-KYOSRNDESA-N 455.605 6.420 50 10 JKGE Fc1cc(CBr)ccc1OCc1cc(I)ccc1Cl 2352418819 ASTBUBLOJJNWET-UHFFFAOYSA-N 455.492 5.558 50 10 JKGE FC1(F)CCC2(CC1)C[C@H]2[C@H](Cl)c1ccc(OCc2ccccc2)cc1Br 2361168255 KBTSXYVFAPNTNC-AZUAARDMSA-N 455.770 7.524 50 10 JKGE COc1ccc([C@@H](Br)c2ccc(OCc3ccccc3)cc2Br)cc1OC 2361194792 KQAXBUOACHBFMN-JOCHJYFZSA-N 492.207 6.530 50 10 JKGE Fc1c(Br)cc(Cl)c([C@H](Br)[C@@H]2C[C@@H]3CCCC[C@H]32)c1Br 2362227020 ZFOOVFMRRUKARU-XHGVETGHSA-N 489.448 7.266 50 10 JKGE CC1(C)[C@H]2CO[C@@]1([C@H](Br)c1c(Cl)cc(Br)c(F)c1Br)C2 2362236723 QFICGSUVMUZOJM-BHKQTNGVSA-N 491.420 6.255 50 10 JKGE CCOc1ccc(NC(=O)/C(C#N)=C/c2cc(C)n(-c3ccc(Cl)c(C(=O)O)c3)c2C)cc1 2807760 LDNLSCAYMQHDFU-LDADJPATSA-N 463.921 5.390 50 10 JKGE N#C/C(=C\c1ccc(Cl)cc1)c1cn(-c2ncc(C(F)(F)F)cc2Cl)c2ccccc12 3050175 GJPHEGYZRACSIZ-OQLLNIDSSA-N 458.270 7.415 50 10 JKGE COc1cc(/C=C(/C#N)c2nc3ncc(Br)cc3[nH]2)ccc1OC(=O)c1ccccc1 6289275 VVTOOOPPCWJJEU-SXGWCWSVSA-N 475.302 5.012 50 10 JKGE CCCCCCOc1ccc(Br)cc1C(=O)NNC(=O)c1ccccc1Br 14648363 QLQJEWKZSNIEIW-UHFFFAOYSA-N 498.215 5.246 50 10 JKGE CC(C)COc1ccc(C(=O)NNC(=O)c2ccc(OCc3ccccc3)cc2)cc1Br 14653129 DCPIQQWWJDLEPK-UHFFFAOYSA-N 497.389 5.138 50 10 JKGE N#C/C(=C/c1ccccc1OCCOc1ccc(Br)cc1)c1ccc([N+](=O)[O-])cc1 20494430 OYYRIOPBNXPGSW-CYVLTUHYSA-N 465.303 5.879 50 10 JKGE COc1cccc(/C=N/NC(=O)CSc2nc3ccccc3s2)c1OCCc1ccccc1 32522822 UQPLIGWCLXHTEV-WGOQTCKBSA-N 477.611 5.169 50 10 JKGE COC(=O)c1c(NC(=O)/C(C#N)=C\c2ccc(-c3cccc(C(F)(F)F)c3)o2)sc(C)c1C 33632005 PLJIOAXYXPEHOQ-GDNBJRDFSA-N 474.460 5.976 50 10 JKGE COc1cc(/C=C(/C#N)c2nc3ccccc3s2)ccc1OC(=O)c1cccc2ccccc12 33674133 WCYZQRZZAALKQN-HKWRFOASSA-N 462.530 6.741 50 10 JKGE N#C/C(=C/c1cccc(Oc2ccccc2)c1)C(=O)Nc1ccc([N+](=O)[O-])cc1C(F)(F)F 33930404 QOLUPOLFMGARKZ-WJDWOHSUSA-N 453.376 5.952 50 10 JKGE COC(=O)/C(=C(\F)S/C(C#N)=C1/NC2(CCCCC2)Cc2cc(C)c(C)cc21)C(F)(F)F 34829300 KJEFTFOQOHTHAO-NADBREJJSA-N 468.516 5.994 50 10 JKGE N#C/C(C(=O)Nc1ccc(Cl)cc1)=C1\S[C@@H](Cc2ccccc2)C(=O)N1c1ccc(Cl)cc1 34896509 FVDFSJBWUVLYMJ-SCIJIFGBSA-N 494.403 6.058 50 10 JKGE COc1cc(CBr)cc(Br)c1OCc1ccc(Cl)cc1Cl 36815546 QMAVWOCXBJNJQN-UHFFFAOYSA-N 454.973 6.238 50 10 JKGE CCOc1cccc(C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@H]3c2ccc(Br)cc2)c1 38651754 NVIHRTFQZGEFAE-QHCPKHFHSA-N 491.341 5.285 50 10 JKGE CCCOc1ccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4ccc(OC)c(Cl)c4)ccc32)cc1 38687535 ACIIRDQMMMFLKY-VWLOTQADSA-N 490.943 5.575 50 10 JKGE CCOc1cccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4oc5ccccc5c4C)ccc32)c1 38701198 BQHPNKJAICVPCU-VWLOTQADSA-N 466.493 5.577 50 10 JKGE Nc1c(NNC(=O)c2ccc(Cl)cc2Cl)ncnc1NC(c1ccccc1)c1ccccc1 40783668 WSGACWMIPLTPPA-UHFFFAOYSA-N 479.371 5.324 50 10 JKGE Cc1c(C(=O)NC2CCCCC2)oc2c1/C(=N/NC(=O)COc1ccc(Cl)cc1Cl)CCC2 40816312 OZWLSVCDABKJJA-MTDXEUNCSA-N 492.403 5.193 50 10 JKGE COc1ccc(COC(=O)N/N=C2\C(=O)N(Cc3c(Cl)cccc3Cl)c3ccccc32)cc1 59165563 XMSZUNACJNULAV-QYQHSDTDSA-N 484.339 5.179 50 10 JKGE CCCCCCOC(=O)c1ccccc1N/C=C(/C#N)c1nc(-c2ccc(OC)cc2)cs1 102419593 XOODNIGOIYWAHT-JZJYNLBNSA-N 461.587 6.532 50 10 JKGE C[C@H](Cl)c1nc2ccc(Br)cc2n1-c1cccc(I)c1 115769902 SNKQBEOGVVFZLO-VIFPVBQESA-N 461.528 5.692 50 10 JKGE COc1ccc(C[C@@H](CBr)c2cccc(Br)c2)cc1Br 118859500 FFVLMVVNDUCCKS-ZDUSSCGKSA-N 463.007 5.941 50 10 JKGE COc1c(C)cc(Br)c(C)c1[C@@H](Br)c1ccccc1Br 125700423 BQPDIPDGIWSVBV-HNNXBMFYSA-N 463.007 6.321 50 10 JKGE Cl[C@@H](Cc1cccc(Br)c1)c1cc(Br)c(Br)s1 128098722 OOODJBRIODSGND-JTQLQIEISA-N 459.428 6.558 50 10 JKGE FC(F)Oc1ccccc1[C@H](Br)c1cc(Br)c(Br)s1 128264984 MPSIGORIQVGFNI-JTQLQIEISA-N 476.962 6.359 50 10 JKGE Cc1cc(C)c(C)c([C@H](Br)c2cc(Br)ccc2Br)c1C 161083911 OZRSWMQAKJDTTM-QGZVFWFLSA-N 461.035 6.930 50 10 JKGE COc1cc(F)c(Br)cc1[C@H](Br)c1ccc(Br)cc1 234913616 ABNVYYUDEUSVIZ-CQSZACIVSA-N 452.943 5.844 50 10 JKGE C[C@H]1CCC[C@](CBr)(NC(=O)c2cc(Cl)ccc2I)C1 235628548 CDXHANVERJCEMM-BONVTDFDSA-N 470.576 5.018 50 10 JKGE COc1ccc([C@@H](C)CC(=O)NN=Cc2ccc(-c3ccc(Br)cc3)o2)c(O)c1 252617527 KUWLWGVTCWIFHN-AWEZNQCLSA-N 457.324 5.067 50 10 JKGE O=C(NN=Cc1ccc2c(c1)OCO2)c1cc(-c2ccc(-c3ccccc3)cc2)nc2ccccc12 254494305 ZFDOAKZKFRQJSV-UHFFFAOYSA-N 471.516 6.061 50 10 JKGE O=C(NN=Cc1c(OCc2ccc(F)cc2)ccc2ccccc12)c1cc2ccccc2cc1O 254556733 MDLXSBAGUHKHNH-UHFFFAOYSA-N 464.496 6.181 50 10 JKGE CCN(CC)c1ccc(C=NNC(=O)c2cc(-c3ccc(OCc4ccccc4)cc3)n[nH]2)cc1 254819363 WCLIKUIZSUKNRS-UHFFFAOYSA-N 467.573 5.266 50 10 JKGE CCN(CC)c1ccc(C=NNC(=O)CSc2nnc(-c3ccc(C(C)(C)C)cc3)n2CC)cc1 254823005 DBXCBLKIFLBKOS-UHFFFAOYSA-N 492.693 5.351 50 10 JKGE C[C@H](Cl)c1nc2cc(Br)c(F)cc2n1[C@H]1CCN(Cc2ccccc2)[C@@H]1C 380531158 UAGMBQYGZFFVTG-KSMMKXTCSA-N 450.783 6.073 50 10 JKGE C[C@@H](Br)c1cnnn1-c1c(Br)cc(Br)cc1Br 382450705 KWGRNUTUZOCPOW-RXMQYKEDSA-N 488.803 5.011 50 10 JKGE O=C(OCc1ccccc1)N1C[C@H](c2ccccc2Br)[C@@H](CBr)C1 382679486 AUOKUEJREXUWGC-RDJZCZTQSA-N 453.174 5.196 50 10 JKGE C[C@@H](C[C@@H](Br)c1cc(I)cc2c1OCC2)CC(C)(C)C 383265819 CGCQLGQRJWYJJN-XHDPSFHLSA-N 451.186 6.125 50 10 JKGE Cc1cc([C@H](Br)c2scc(C(F)(F)F)c2Br)sc1Br 388766949 HELHFURDGHZSMR-QMMMGPOBSA-N 499.009 7.146 50 10 JKGE Brc1cc([C@H](Br)c2ccc3sccc3c2)sc1Br 395427329 OUJYYHDMNSGSMQ-GFCCVEGCSA-N 467.045 6.972 50 10 JKGE Brc1cc([C@H](Br)Cc2ccsc2)ccc1I 721615764 SOLRPUJTYQSXGI-SNVBAGLBSA-N 471.983 5.794 50 10 JKGE Cc1cc([C@@H](Br)c2cccc(F)c2I)c(Cl)cc1F 721689987 BOVCEQMHKUKBGT-ZDUSSCGKSA-N 457.483 6.016 50 10 JKGE O=C(N[C@@H](CCBr)C1CCCC1)c1scc(Br)c1Br 725095105 ROOABJMASDSCMX-JTQLQIEISA-N 474.056 5.347 50 10 JKGE CCOc1cc(C=NNC(=O)c2cc3ccccc3o2)ccc1OCc1ccc(Cl)cc1Cl 1083924647 YSPYUIBLVJJFFH-UHFFFAOYSA-N 483.351 6.481 50 10 JKGE O=C(CSc1nc(-c2ccccc2)cs1)NN=Cc1c(Cl)ccc(Cl)c1Cl 1772755266 YBRGLWOWZYHBPI-UHFFFAOYSA-N 456.807 6.013 50 10 JKGE CCCCCOc1ccc(C=NNC(=O)CCCOc2ccc(C)cc2Br)cc1OC 1772755404 FQLGICKNVNJZFV-UHFFFAOYSA-N 491.426 5.644 50 10 JKGE N#CC1=C(N)Oc2c(c(-c3ccccc3)nn2Cc2ccc(Cl)cc2)[C@@H]1c1c(F)cccc1Cl 1865682712 WGLGCALWIZIZDY-NRFANRHFSA-N 491.353 6.262 50 10 JKGE CCCc1nn(Cc2ccc(C)cc2)c2c1[C@@H](c1ccc(Cl)cc1Cl)C(C#N)=C(N)O2 1865686020 QHUJYXFPJQJBBQ-NRFANRHFSA-N 453.373 5.717 50 10 JKGE Cc1ccc(Cn2nc(C)c3c2OC(N)=C(C#N)[C@H]3c2ccc(OCc3ccccc3)cc2)cc1 1865690180 KVUYWNNBHHOPHB-HHHXNRCGSA-N 462.553 5.345 50 10 JKGE COc1ccc(N(C)c2cc(Nc3ccc(SC#N)cc3)nc(-c3ccc(F)cc3)n2)cc1OC 1868456523 QVVOJMJCWNGKDV-UHFFFAOYSA-N 487.560 6.385 50 10 JKGE COc1cc(/C=C(\C#N)c2nc3ccccc3n2C)ccc1OCc1ccc(C(C)(C)C)cc1 1872726792 KZDFATWBWVWWGN-CJLVFECKSA-N 451.570 6.523 50 10 JKGE CCc1cccc(CC)c1N1C[C@@H](/C(O)=C(\C#N)c2nc(-c3ccc([N+](=O)[O-])cc3)cs2)CC1=O 1872747018 KIQQHTLLMSWHER-GYGWLHPRSA-N 488.569 5.689 50 10 JKGE CSCC[C@@H](/C(O)=C(\C#N)c1nc(-c2ccc(F)c(F)c2)cs1)N1C(=O)c2ccccc2C1=O 1872751864 XPQVEASOBIGYIZ-CVVHJZTLSA-N 497.548 5.299 50 10 JKGE CCCCCCCOc1ccc(-c2csc(/C(C#N)=C(\O)c3ccc(Cl)c(Cl)c3)n2)cc1 1872753150 JCSCLXWFWJGJJB-GFMRDNFCSA-N 487.452 8.416 50 10 JKGE COc1c(C)cc(Cl)cc1-c1csc(/C(C#N)=C(\O)[C@@H](C)Oc2ccc(Cl)cc2Cl)n1 1872757141 SCBHSVGKKNHJRZ-XSBGSACPSA-N 495.815 7.348 50 10 JKGE CCc1ccc(OCCC/C(O)=C(\C#N)c2nc(-c3ccc(OC)c(Cl)c3)cs2)cc1 1872757505 JFIWPCUWSKPSLK-QOCHGBHMSA-N 454.979 6.686 50 10 JKGE COC(=O)c1ccc(/C=C/C(O)=C(\C#N)c2nc(-c3ccc(OC)c(Cl)c3)cs2)cc1 1872757594 MZKUQYFCQQCNRI-XUCSOJMCSA-N 452.919 5.765 50 10 JKGE CCCCCOc1ccc(/C=C(\C#N)c2nc(-c3cc(Cl)c(OC)cc3OC)cs2)cc1OC 1872793507 CWWSMSFDHUXJFN-WOJGMQOQSA-N 499.032 7.122 50 10 JKGE BrCC1(Cc2c(Br)cccc2Br)CC2(CCCC2)C1 1912586181 ILCDJMPCINGSEN-UHFFFAOYSA-N 451.040 6.490 50 10 JKGE CC[C@H](Br)CN(Cc1ccccc1)S(=O)(=O)c1cc(Cl)sc1Cl 1915073767 JKZIXNUUGADXIP-LBPRGKRZSA-N 457.242 5.419 50 10 JKGE Cc1c(Br)sc([C@@H](Br)c2cccc(F)c2Cl)c1Br 1922954839 SOFRWPVKWPTWHG-VIFPVBQESA-N 477.418 6.858 50 10 JKGE Cc1c(Br)sc([C@H](Br)CC[C@@H]2CCCCO2)c1Br 1922955504 ZTLAWZGDVUALOD-VHSXEESVSA-N 461.057 6.367 50 10 JKGE Clc1c(Br)sc(Br)c1[C@@H](Br)[C@@H]1Cc2ccccc21 1923050201 RELDAFVLIGUROM-SCZZXKLOSA-N 471.439 6.702 50 10 JKGE COc1cc(C)c(Br)cc1[C@H](Br)c1cscc1OCc1ccccc1 2038687258 ZCXJOBKWCHLKDZ-FQEVSTJZSA-N 482.237 6.891 50 10 JKGE FC1(F)CC2(CC([C@@H](Br)c3cc(Br)c(Br)s3)C2)C1 2040958537 WSLLYLPWCAZPEL-SECBINFHSA-N 464.995 6.535 50 10 JKGE CS(=O)(=O)C1([C@H](Br)c2c(Cl)sc(Br)c2Cl)CCC1 2047876929 XRGKYQQEVXMKCL-SSDOTTSWSA-N 457.036 5.221 50 10 JKGE CC12CC([C@@H](Br)c3sc(Br)cc3Br)(C1)C(C)(C)O2 2058142207 WXGDUONOUBBGEH-PKSQDBQZSA-N 459.041 6.057 50 10 JKGE CC[C@@H](C)N(Cc1ccccc1)S(=O)(=O)c1ccc(Cl)c(CBr)c1Cl 2059292038 SCDILVURGQZSLR-CYBMUJFWSA-N 465.240 5.878 50 10 JKGE Fc1cc([C@H](Cl)c2ccc(Br)cc2Br)ccc1Br 2083329686 GNBUBRUHXKITOZ-ZDUSSCGKSA-N 457.362 6.441 50 10 JKGE COc1ccc(F)cc1[C@H](Br)c1c(Br)cccc1Br 2094091234 QQQNQWAYXIQFMK-AWEZNQCLSA-N 452.943 5.844 50 10 JKGE CCn1ncc(Br)c1CC(CBr)(CBr)C1CCCC1 2094301554 PHMLSCWJQJTPRG-UHFFFAOYSA-N 457.048 5.174 50 10 JKGE Brc1ccc(CC[C@@H](Br)CN2CCCCC2)c(Br)c1 2099487060 VDKPIJGWTSECMC-CQSZACIVSA-N 454.044 5.394 50 10 JKGE Brc1cc([C@H](Br)c2cscc2OCc2ccccc2)cc2c1OCCC2 2100095035 XMOOKZITHCEJMA-FQEVSTJZSA-N 494.248 6.899 50 10 JKGE O=C(NC[C@@H]1CCCC[C@@H](Br)C1)c1cc(Br)sc1Br 2107481245 PASDIWWWGRVBIV-RKDXNWHRSA-N 474.056 5.347 50 10 JKGE Clc1c(Br)sc(Br)c1[C@@H](Br)[C@H]1CC2(CCCC2)CO1 2109979555 KRFCDDZYKKQGIU-APPZFPTMSA-N 493.486 6.712 50 10 JKGE Cl[C@H](CCc1c(Br)cccc1Br)c1ccccc1Br 2113440910 BRNUELXBNWWULR-OAHLLOKOSA-N 467.426 6.887 50 10 JKGE CN(Cc1c(Br)cccc1Br)C1(CBr)CCCCC1 2113917414 KFVIYBHWPAHZBJ-UHFFFAOYSA-N 454.044 5.741 50 10 JKGE C[C@H]([C@@H]1CCN(Cc2ccccc2)C1)n1c(CCl)nc2cc(Cl)c(Br)cc21 2169015774 REZWXRUJVBEFMN-GDBMZVCRSA-N 467.238 6.274 50 10 JKGE Cc1cc(Br)cc([C@H](Cl)c2c(C)c(Br)cc(C)c2Br)c1 2201077676 LCMVTYBXTHUDDF-INIZCTEOSA-N 481.453 7.228 50 10 JKGE O=S1(=O)C[C@@H]2CCC[C@]2([C@H](Br)c2c(Cl)sc(Br)c2Cl)C1 2201881161 PFIPWDQQKDBUTI-RMUHFYJVSA-N 483.074 5.468 50 10 JKGE COc1ccc(C[C@H](Br)c2ccc(Br)c(C)c2Br)cc1 2203688856 WAUHDIYFJOGROS-HNNXBMFYSA-N 463.007 6.207 50 10 JKGE CC(C)(C)OC(=O)N1CCC(CI)(OCc2cccc3ccccc23)CC1 2205291871 JAZLPOWJEWFVCR-UHFFFAOYSA-N 481.374 5.561 50 10 JKGE CC(C)(C)OC(=O)Nc1cccc([S@@](C)(=O)=NCCCCCI)c1 2214704879 KXJPYKADTZODRC-XMMPIXPASA-N 466.385 5.096 50 10 JKGE CC1(C)CCC[C@@H]([C@@H](Br)c2c(Br)sc(Br)c2Cl)O1 2219698190 CNFQWPQEXMRFJB-POYBYMJQSA-N 481.475 6.710 50 10 JKGE Clc1cc(Br)ccc1C[C@H](Br)c1ccc(Br)cc1 2221699178 FGDWZNMCAKAICE-ZDUSSCGKSA-N 453.399 6.544 50 10 JKGE Cc1ccc(I)c([C@H](Br)c2cc(Cl)ccc2Cl)c1 2224055822 SDKFYAUZIZKMLI-CQSZACIVSA-N 455.948 6.391 50 10 JKGE COC1CC(C[C@H](Br)c2c(Br)cc(Cl)c(Cl)c2Cl)C1 2224304059 FCJCJSBBPDMRBJ-RRQHEKLDSA-N 451.413 6.660 50 10 JKGE Cc1ccc([C@H](Br)c2cc(Br)c(Br)cc2F)cc1C 2225616024 MNTAZQBWEPTAJB-HNNXBMFYSA-N 450.971 6.452 50 10 JKGE C[C@H]1[C@H](n2c(CCl)nc3cc(Br)c(Br)cc32)CCN1Cc1ccccc1 2225702043 NUQATRJZVFYGDR-SCLBCKFNSA-N 497.662 6.136 50 10 JKGE CCc1cc(Br)c([C@H](Br)c2cc(C)c(Br)c(C)c2)s1 2227419898 ARFBXLIRPFQXTJ-CQSZACIVSA-N 467.064 6.937 50 10 JKGE CC(C)(C)OC(=O)N1CCC[C@](CI)(O[C@@H]2CCC[C@@H](C(F)(F)F)C2)C1 2231383408 IDWMCOUSBYKEMR-CKEIUWERSA-N 491.332 5.329 50 10 JKGE Cc1cc(Br)c([C@@H](Br)c2ccc(Br)cc2F)c(C)c1Cl 2232527663 DYKCKSIPFBDEIT-AWEZNQCLSA-N 485.416 7.105 50 10 JKGE Cc1ccc([C@H](Cl)c2cc(Br)cc3c2OCC3)cc1I 2232834861 WXOYUNGJIJIRCV-HNNXBMFYSA-N 463.540 5.625 50 10 JKGE Cc1cc(Br)c([C@@H](Br)Cc2ccc(F)cc2)c(C)c1Br 2235603114 HKZNKHOKXCMUIB-AWEZNQCLSA-N 464.998 6.646 50 10 JKGE COc1cc([C@@H](Br)c2csc(Br)c2Br)c(OC)cc1C 2236794655 JWQICPTVUIDMHT-GFCCVEGCSA-N 485.035 6.083 50 10 JKGE Cc1cc(Br)c([C@@H](Br)c2cc(Br)c3c(c2)C[C@H](C)O3)s1 2237635612 QECADLPBPVHECV-CPFSXVBKSA-N 481.047 6.389 50 10 JKGE ClCc1nc2cccc(Cl)c2n1-c1ccc(Br)cc1I 2240006215 IEYLHGCOUYNSQC-UHFFFAOYSA-N 481.946 5.785 50 10 JKGE Cc1sc(Br)cc1[C@H](Br)c1cc(Br)c(F)cc1Cl 2258114954 TUNXJEGONAZZFY-LBPRGKRZSA-N 477.418 6.858 50 10 JKGE Cc1cc(Cl)c(Cl)cc1[C@@H](Br)c1ccc(I)c(Cl)c1 2264368638 MGAPDUMCAPLFDB-AWEZNQCLSA-N 490.393 7.044 50 10 JKGE CCN(C[C@@](C)(CI)OC[C@@H]1CC(F)(F)C12CCC2)C(=O)OC(C)(C)C 2266112532 NCMLJDVSGWDUEV-WMLDXEAASA-N 487.369 5.279 50 10 JKGE Cc1nsc(Br)c1[C@H](Cl)c1c(F)cc(Br)c(F)c1Br 2272722605 UCPRAOZBQDBJAD-VIFPVBQESA-N 496.396 6.345 50 10 JKGE Fc1cc(Br)c(F)c(Br)c1[C@H](Br)C[C@H]1C[C@H]2C[C@H]2C1 2272723615 ZXYLIQBQHLUBPK-LURQLKTLSA-N 458.966 6.362 50 10 JKGE FCC12CC([C@H](Br)Cc3cc(Br)cc(Br)c3)(CO1)C2 2277956396 QYDGFGSMJMRQTR-IYXRBSQSSA-N 456.975 5.036 50 10 JKGE Cc1cc(Br)ccc1[C@H](Br)c1cc2sc(Br)cc2s1 2278024965 UQLQYXMUTNIMKM-AWEZNQCLSA-N 481.072 7.281 50 10 JKGE O=C(c1scc(Br)c1Br)N1C[C@H](Br)C[C@@H]2CCCC[C@@H]21 2279534083 PEZHUPCBRVOGQU-NGZCFLSTSA-N 486.067 5.441 50 10 JKGE CCOc1ccc([C@@H](Br)c2cccc(Cl)c2Br)c(Br)c1 2283197128 DLDYKTSZPKYRNR-CQSZACIVSA-N 483.425 6.748 50 10 JKGE C=CC[C@@]1(CBr)CCCCN1Cc1ccc(I)c(Cl)c1 2287713884 KHUIASUIWNKDFA-INIZCTEOSA-N 468.604 5.640 50 10 JKGE COc1c([C@@H](Br)c2c(F)cc(Br)c(F)c2Br)csc1C 2288489269 RMIFDALHERNSPX-SNVBAGLBSA-N 490.989 6.353 50 10 JKGE CCCCCCOc1ccc(C=C(C#N)C(=O)Nc2ncc(Cc3ccc(C)cc3)s2)cc1 2293039056 ZYCWRQNOMHHEPV-UHFFFAOYSA-N 459.615 6.547 50 10 JKGE Cc1c(C=C(C#N)C(=O)Nc2ccc3ccccc3c2)c2ccccc2n1Cc1ccc(Cl)cc1 2294168462 MAZWBKFHTYZEAQ-UHFFFAOYSA-N 475.979 7.350 50 10 JKGE COc1cc(C=C(C#N)c2ccc(Cl)cc2)c(Br)cc1OCc1ccccc1Cl 2294619944 PXERWXFXKDELIR-UHFFFAOYSA-N 489.196 7.408 50 10 JKGE COc1c([C@@H](Br)[C@H]2C[C@@H](Br)C2)cc(Br)c2ccccc12 2294629358 ZKHJSEGNFKKALL-WMFXKJRFSA-N 463.007 6.220 50 10 JKGE COc1ccc([C@H](Br)c2ccc(C(F)(F)F)s2)cc1I 2295256080 ICVWRTMPTDBJLQ-LBPRGKRZSA-N 477.083 5.864 50 10 JKGE FC1(F)[C@@H]([C@@H](Br)Cc2cc(Br)cc(Br)c2)C12CCCC2 2295341591 HIYMFNGKZBHOOG-STQMWFEESA-N 472.993 6.343 50 10 JKGE COc1cc(NC=C(C#N)c2nc(-c3ccc(Br)cc3)cs2)cc(OC)c1OC 2295945705 VRDXPPWNGKPVCI-UHFFFAOYSA-N 472.364 5.575 50 10 JKGE CCN(CC)CCOC(=O)c1ccc(NC=C(C#N)c2nc(-c3ccc(C)cc3C)cs2)cc1 2296038187 JGYVAYFCXWLSHW-UHFFFAOYSA-N 474.630 5.902 50 10 JKGE CCCOc1ccc(-c2nn(-c3ccccc3)cc2C=C(C#N)C(=O)N[C@@H](C)c2ccccc2)cc1 2296729395 GOSBPXAJLPPVAZ-QFIPXVFZSA-N 476.580 6.112 50 10 JKGE N#CC(=CNc1ccccc1C(F)(F)F)c1nc(-c2cccc(Br)c2)cs1 2296763995 VHQZSNOUWGKPLY-UHFFFAOYSA-N 450.283 6.568 50 10 JKGE CC(C=NNC(=O)CSc1nc2ccccc2n1Cc1ccc(Cl)cc1)=Cc1ccco1 2297304152 AACMEOZFZMCUNK-UHFFFAOYSA-N 464.978 5.629 50 10 JKGE CCOc1ccc(NC(SCc2ccc(Cl)cc2)=C(C#N)C(=O)NCc2ccco2)cc1 2297414603 WONOMBZAZKVCDS-UHFFFAOYSA-N 467.978 5.729 50 10 JKGE CCOc1cc(C=C(C#N)C(=O)Nc2c(C)cc(C)cc2C)ccc1OCc1ccc(F)cc1 2297491177 OKDKJGNRTRYENN-UHFFFAOYSA-N 458.533 6.274 50 10 JKGE C[C@]12CO[C@]([C@@H](Br)c3cc(Br)ccc3OCc3ccccc3)(C1)C2 2299502907 AODWTUMSMHHCOR-SLFFLAALSA-N 452.186 6.033 50 10 JKGE COc1ncc(Br)c(C)c1CN(Cc1ccccc1)C(C)(C)CBr 2303053492 YGHJYZQPPDJARB-UHFFFAOYSA-N 456.222 5.337 50 10 JKGE Brc1ccc(OCc2ccccc2)c([C@@H](Br)[C@H]2O[C@H]3CC[C@H]2C3)c1 2307420202 JPHCEDFMYOJCFP-UQOODKLHSA-N 452.186 6.032 50 10 JKGE C=CCc1cc(C=C(C#N)C(=O)N2CCN(c3ccccc3)CC2)ccc1OCc1ccc(Cl)cc1 2313567530 LBHRZLXATATYQB-UHFFFAOYSA-N 498.026 5.903 50 10 JKGE COc1ccc(C=C(C#N)C(=O)Nc2ccc(Cl)c(Cl)c2)cc1OCc1ccc(Cl)cc1 2313631224 MJFHQGXDAHIPPB-UHFFFAOYSA-N 487.770 6.780 50 10 JKGE Cc1ccc(NC(=O)C(C#N)=Cc2cc(Cl)ccc2OCc2ccc(Br)cc2)c(C)c1 2313667565 PUWZBRDDRODLMK-UHFFFAOYSA-N 495.804 6.844 50 10 JKGE C[C@@H](C1CCCCC1)[C@H](Br)c1ccc(OCc2ccccc2)cc1Br 2314458199 CCXHMUUMLIWDBI-AOMKIAJQSA-N 466.257 7.681 50 10 JKGE Fc1cccc([C@@H](Br)c2ccc(OCc3ccccc3)cc2Br)c1F 2314500335 MMYYJHQXLAFXCP-IBGZPJMESA-N 468.135 6.791 50 10 JKGE Cc1cccc(Oc2nc3c(C)cccn3c(=O)c2C=C(C#N)C(=O)Nc2cccc(Cl)c2)c1 2314533549 RNYPVPIADWPHQA-UHFFFAOYSA-N 470.916 5.303 50 10 JKGE CCCCN1C(=O)C(=Cc2ccc(OCc3ccc(Cl)cc3)c(OC)c2)C(C)=C(C#N)C1=O 2314611109 QTIPAYBAJGFLCF-UHFFFAOYSA-N 464.949 5.320 50 10 JKGE CCCCCCOc1ccc(C=C2C(=O)N(CCCOC(C)C)C(=O)C(C#N)=C2C)cc1OC 2314618688 RVZIQWIWIHRGFD-UHFFFAOYSA-N 468.594 5.062 50 10 JKGE COc1cc(C=NNC(=O)c2ccccc2OC)ccc1OCc1ccc(Cl)cc1Cl 2322948351 GZBLLIZLJFUNLM-UHFFFAOYSA-N 459.329 5.354 50 10 JKGE CC(C)(C)N(CCCBr)Cc1ccc(I)c(Br)c1 2325214466 ONAUYFSXYMAAKJ-UHFFFAOYSA-N 489.033 5.439 50 10 JKGE C[C@H](Br)C[C@H]1CCCN1Cc1ccc(I)c(Br)c1 2325221078 DMNXYPMPVLJSCC-CMPLNLGQSA-N 487.017 5.192 50 10 JKGE COc1cccc(C=C(C#N)c2ccc(Cl)cc2F)c1OCc1ccc(Br)cc1 2331063898 ODAPPWBZWJXYQX-UHFFFAOYSA-N 472.741 6.893 50 10 JKGE N#CC(=C(O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1)c1nc(-c2ccc(Cl)cc2Cl)cs1 2331254357 BQFAANGNQITIFO-UHFFFAOYSA-N 463.258 5.883 50 10 JKGE COc1ccc(-c2csc(C(C#N)=C(O)CNC(=O)c3ccc(C(C)(C)C)cc3)n2)cc1F 2331336892 HKAAEICWKGFORY-UHFFFAOYSA-N 465.550 5.478 50 10 JKGE CCOc1ccc(OCC)c(-c2csc(C(C#N)=C(O)CCCOc3ccccc3)n2)c1 2331376522 MWBJTWUXSHWPQG-UHFFFAOYSA-N 450.560 6.259 50 10 JKGE CCc1ccc(OCCCC(O)=C(C#N)c2nc(-c3cc(Cl)ccc3Cl)cs2)cc1 2331404677 WZCQYNSCSFJLFO-UHFFFAOYSA-N 459.398 7.331 50 10 JKGE Cc1cc(Br)c([C@@H](Br)C[C@H]2CCC2(F)F)c(C)c1Br 2335421107 CPWOUXWOFFRNCV-KOLCDFICSA-N 460.982 6.700 50 10 JKGE Brc1cc(OCc2ccccc2)ccc1[C@H](Br)C1C[C@H]2COC[C@H](C1)C2 2336043411 FEFUDWBFKDLTOX-PNLZDCPESA-N 480.240 6.527 50 10 JKGE Cc1cc(I)c(Oc2cc(Cl)ccc2CBr)cc1Cl 2336557941 DEURHYMIQJDUJP-UHFFFAOYSA-N 471.947 6.594 50 10 JKGE Cc1cc(Cl)c(Br)cc1[C@@H](Cl)c1c(Br)c(Br)nn1C 2338859845 ILPFGYARPUAVEA-SNVBAGLBSA-N 491.836 5.998 50 10 JKGE Fc1cc(Cl)c(Br)c(Cl)c1[C@@H](Br)[C@@H]1[C@@H]2[C@H]1CCC2(F)F 2360482559 ZJCZAHOJEKTTBK-JVAOAGLWSA-N 452.923 6.622 50 10 JKGE Cc1cc(F)c(CBr)c(Oc2cc(Cl)c(C)cc2I)c1 2361710430 QYGFLZGLWWDTKX-UHFFFAOYSA-N 469.519 6.388 50 10 JKGE CCc1ccccc1[C@@H](Br)c1c(Cl)cc(Br)c(F)c1Br 2362231371 WOMBKGNHHKKAMF-CYBMUJFWSA-N 485.416 7.051 50 10 JKGE Fc1c(Br)cc(Cl)c([C@@H](Br)C23CCC(CC2)OC3)c1Br 2362232340 MXKNKYLQOWUDPE-MBWFCSIISA-N 491.420 6.399 50 10 JKGE Clc1ccc([C@H](CBr)OCc2cc(Br)cc(Br)c2)cc1 2362246479 AEPMHYNKQFJUQK-HNNXBMFYSA-N 483.425 6.518 50 10 JKGE Clc1ccc(CN2C[C@H](Br)C[C@H]3CCCC[C@H]32)cc1I 2362367923 HYMZLHDOPKQEMR-XJKCOSOUSA-N 468.604 5.473 50 10 JKGE Cc1ccc([C@@H](Br)c2sc(Cl)cc2I)cc1C(F)(F)F 2363894214 QEOMKQKRLVYMAZ-LLVKDONJSA-N 495.529 6.818 50 10 JKGE CC1CCC2(CC1)[C@H](Cl)C[C@H]2Oc1cc(Br)cc(I)c1 2364105969 GGBWXRAJJHDTBA-AFXUSDCHSA-N 469.588 6.009 50 10 JKGE COc1c(Br)cc(C)c([C@@H](Br)[C@@]23CC[C@@H](CO2)C3)c1Br 2365217587 GEZMCXZKSFXKDY-ZWZTZDBGSA-N 469.011 5.534 50 10 JKGE Cc1ccc(CBr)c(OCc2cc(Br)ccc2F)c1Br 2380660460 YXAQNGYVPJLIDC-UHFFFAOYSA-N 466.970 6.133 50 10 JKGE N#C/C(=C\c1ccc(OCc2ccc(F)cc2)c(Br)c1)c1ccc(C(=O)O)cc1 2888628 DNBJCUWLSQPWNP-YBFXNURJSA-N 452.279 5.930 50 10 JKGE COc1ccc([C@@H](C(=O)NC2CCCCC2)N(C(=O)CCl)c2ccc(Cl)cc2C)cc1 3035323 AZGCGCALTNSYRP-QHCPKHFHSA-N 463.405 5.419 50 10 JKGE O=C(COc1ccc(Br)cc1Cl)N/N=C/c1ccc(OCc2ccccc2)cc1 13977856 ALQFDJZWAWCCMV-DHRITJCHSA-N 473.754 5.211 50 10 JKGE Cc1ccc(CS/C(Nc2ccc(C)c(Cl)c2)=C(\C#N)S(=O)(=O)c2ccccc2)cc1 20325259 TTZGSAMMNTWCIL-WCWDXBQESA-N 469.031 6.469 50 10 JKGE CC[C@@H](Oc1ccc2ccccc2c1Br)C(=O)N/N=C/c1c[nH]c2ccccc12 20572859 BINVEVOVYHEGIH-RAQUAXEKSA-N 450.336 5.391 50 10 JKGE Cc1cc([C@@H]2C(C#N)=C(N)N(c3ccc([N+](=O)[O-])cc3)C3=C2C(=O)C[C@H](c2ccccc2)C3)c(C)s1 27550724 PXPBCEADYHOYNE-NIYFSFCBSA-N 496.592 5.972 50 10 JKGE COc1cccc2cc(-c3nn(-c4ccccc4)cc3/C=C(/C#N)C(=O)NCCCOC(C)C)oc12 33515882 YDQZAONDILFWKW-QNGOZBTKSA-N 484.556 5.132 50 10 JKGE O=C(NN(c1ccccc1)c1ccccc1)c1ccc2nc(-c3ccccc3)c(-c3ccccc3)nc2c1 33809115 LFKMOPLPQMOFLG-UHFFFAOYSA-N 492.582 7.447 50 10 JKGE Cc1cc([N+](=O)[O-])ccc1-c1ccc(/C=C(/C#N)C(=O)Nc2ccc([N+](=O)[O-])cc2C(F)(F)F)o1 33930451 YERWLMKIQNWHIH-LCYFTJDESA-N 486.362 5.636 50 10 JKGE N#C/C(=C\c1cn(-c2ccccc2)nc1C12CC3CC(CC(C3)C1)C2)C(=O)NC1CCCCC1 35447034 GOVCYKCTKALNHM-OEAKJJBVSA-N 454.618 5.696 50 10 JKGE Cc1ccc(N2C(=O)CS[C@@H]2c2ccc(NC(=O)[C@H](Cl)c3ccccc3)cc2)cc1F 35928585 CUYHDVGWEYGQGE-ISKFKSNPSA-N 454.954 5.831 50 10 JKGE N#CC1=C(N)Oc2cc(OC(=O)COc3ccc(F)cc3)ccc2[C@H]1c1ccc(Cl)cc1Cl 38655197 WHZLMFGSANNZCW-HSZRJFAPSA-N 485.298 5.335 50 10 JKGE CCCOc1cccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)COc4ccc(C(C)C)cc4)ccc32)c1 38684485 DOTUACKSDZNUDN-GDLZYMKVSA-N 498.579 5.801 50 10 JKGE Cc1ccc(Cl)cc1NC(=O)c1oc2c(c1C)/C(=N/NC(=O)Cc1ccc([N+](=O)[O-])cc1)CCC2 40814576 MGVNBNSTQMAQGJ-TURZUDJPSA-N 494.935 5.110 50 10 JKGE CCCCCCOc1ccc(/C=C(\C#N)C(=O)Nc2ccc(OC)cc2[N+](=O)[O-])cc1OC 40853667 RHYDHWLRGKRYEF-QGOAFFKASA-N 453.495 5.117 50 10 JKGE CCCCCCOc1ccc(/C=C(\C#N)C(=O)Nc2ccc(Br)cc2C)cc1OC 41013047 GSKDJQYQKKGUDR-XMHGGMMESA-N 471.395 6.271 50 10 JKGE O=C(CCCSc1nc2ccccc2s1)N/N=C/c1ccccc1OCc1ccccc1Cl 58991741 ZJZDCUXKHGTEAN-JVWAILMASA-N 496.057 6.551 50 10 JKGE O=C(CSc1c(Cl)c(Cl)c(Cl)c(Cl)c1Cl)N/N=C/c1ccccc1C(=O)O 59158785 QFDYRDSKXCONBL-RREIPUBJSA-N 486.591 5.894 50 10 JKGE Cc1ccc(NC(=O)/C(C#N)=C\c2cc(Cl)c(OCc3ccc(F)cc3)c(Cl)c2)cc1 59335270 CRODKIAOQXWSFR-ZDLGFXPLSA-N 455.316 6.566 50 10 JKGE COc1cc(/C=C(/C#N)C(=O)Nc2ccc(C)cc2)cc(Cl)c1OCc1ccc([N+](=O)[O-])cc1 59335358 QXEDQNZWVHZPAK-ODLFYWEKSA-N 477.904 5.690 50 10 JKGE COC(=O)c1ccc(Cl)c(-c2ccc(/C=C(\C#N)C(=O)Nc3cccc(Cl)c3Cl)o2)c1 59336377 KDNXAKUCZQPRII-UKTHLTGXSA-N 475.715 6.239 50 10 JKGE CCCCN1C(=O)C(C#N)=C(C)/C(=C\c2cn(-c3ccccc3)nc2-c2ccc(Cl)cc2)C1=O 101332981 DNLKKRARBCUZAC-HZHRSRAPSA-N 470.960 5.585 50 10 JKGE CCOC(=O)c1c(NC(=O)/C(C#N)=C\c2c(C)nn(-c3ccccc3)c2Cl)sc2c1CCCC2 102972368 UWFCEOZUKLGICP-SSZFMOIBSA-N 495.004 5.497 50 10 JKGE BrCC(CBr)(CC[C@@H]1CCCO1)c1cccc(Br)c1 118671857 SDCIEMHPVDCXPW-AWEZNQCLSA-N 455.028 5.436 50 10 JKGE Cc1cc(C)cc(CC(CBr)(CBr)c2ccc(Br)cc2)c1 118878637 HIUNQJYOMGLOJE-UHFFFAOYSA-N 475.062 6.336 50 10 JKGE COc1cc(CBr)cc(Br)c1OCc1cccc(F)c1Br 156895820 MTCLBOOXNAYNPS-UHFFFAOYSA-N 482.969 5.833 50 10 JKGE CCc1ccc([C@H](Br)c2cc(Br)ccc2Br)cc1CC 161119214 ROSFBIZKLIJZHQ-KRWDZBQOSA-N 461.035 6.821 50 10 JKGE COc1ccc([C@@H](C)NC(=O)/C(C#N)=C\Nc2ccc(Cl)cc2C(F)(F)F)cc1OC 217174710 DRWWDVIUSZDNRL-POKNLVKOSA-N 453.848 5.073 50 10 JKGE COc1ccc([C@H](Br)c2cc(C)ccc2Br)c(OC)c1Br 224862448 IBLPSCOIXSLJDX-AWEZNQCLSA-N 479.006 6.022 50 10 JKGE Brc1cc([C@H](Br)[C@H]2C[C@H]2c2ccccc2)sc1Br 250797880 CDVKPLVVYWAMGP-OUJBWJOFSA-N 451.021 6.513 50 10 JKGE CCN(CC)c1ccc(/C=C(/NC(=O)c2ccccc2)C(=O)NN=Cc2ccc3ccccc3c2)cc1 254444344 ZLFVIOOBLMGABJ-OKVYYYEQSA-N 490.607 5.607 50 10 JKGE CCOc1ccc(C(=O)Oc2ccc3ccccc3c2C=NNC(=O)c2ccccc2F)cc1 254751980 PMCHBCZDFAEUCH-UHFFFAOYSA-N 456.473 5.361 50 10 JKGE CC(C)(C)c1ccc([C@@H]2c3sc(=S)[nH]c3S[C@@H]3[C@H]4C[C@@H]([C@@H]5C(=O)OC(=O)[C@H]54)[C@H]23)cc1 256026134 NEELJKMUQOINLO-CVIBYCABSA-N 457.642 5.291 50 10 JKGE Cc1cccc(Br)c1[C@H](Cl)c1cc(I)cc2c1OCC2 313510989 KCTMVVYURQEEGG-OAHLLOKOSA-N 463.540 5.625 50 10 JKGE Cc1cc(C)c([C@H](Br)c2cccc(F)c2Br)c(C)c1Br 380246233 OHHDPKYUJWFMTK-MRXNPFEDSA-N 464.998 6.760 50 10 JKGE O=C(OCc1ccccc1)N1C[C@@H](CBr)[C@H](c2cc(F)ccc2Br)C1 382694883 SZZFLUMDLPZSGO-RHSMWYFYSA-N 471.164 5.335 50 10 JKGE Brc1ccc(Br)c([C@H](Br)c2cccc3ccsc23)c1 386397002 HCICZJKKFYATOR-CQSZACIVSA-N 461.016 6.911 50 10 JKGE C[C@@H](Cl)c1nc2cc(Br)c(F)cc2n1[C@]1(C)CCN(Cc2ccccc2)C1 405962366 PJBLLRTZVCOWKA-SPLOXXLWSA-N 450.783 5.859 50 10 JKGE C[C@H](Cl)c1nc2cc(I)c(F)cc2n1[C@@]1(C)CCN(Cc2ccccc2)C1 405974921 XBJSYOLUOIRVRO-QKKBWIMNSA-N 497.783 5.701 50 10 JKGE CN(C(=O)OC(C)(C)C)c1ccc([C@@H]2c3ccccc3CCN2CCO[Si](C)(C)C(C)(C)C)cc1 616679467 UJXFTMDAHZCFMY-AREMUKBSSA-N 496.768 7.027 50 10 JKGE Clc1cc(I)c(OC[C@@H](CBr)C2CC2)c2ncccc12 701861667 CZQHICMAWJLRSF-SNVBAGLBSA-N 466.544 5.293 50 10 JKGE FC(F)c1cscc1[C@H](Br)c1cc(I)cc2c1OCC2 717186703 PSYUGAXZMHGJDE-GFCCVEGCSA-N 471.104 5.710 50 10 JKGE COc1cc(/C=C(\C#N)C(=O)Nc2ccc(Cl)cc2)cc(Br)c1OCc1ccccc1 725428403 HOQKBSCWOBYVKN-WOJGMQOQSA-N 497.776 6.236 50 10 JKGE N#C/C(=C/c1cc(Cl)ccc1OCc1ccc(Br)cc1)C(=O)Nc1ccccc1F 1083885866 WQORORHDBHOMBN-BOPFTXTBSA-N 485.740 6.366 50 10 JKGE CCN(CC)c1ccc(C=NNC(=O)C=C(Sc2ccccc2)Sc2ccccc2)cc1 1084347458 DQGOTDROYKPYAH-UHFFFAOYSA-N 461.656 6.409 50 10 JKGE C=CCc1cc(C=NNC(=O)c2ccc(-n3c(C)ccc3-c3ccccc3)cc2)cc(OC)c1OCC 1084438328 SHGXYHAZHOJYLI-UHFFFAOYSA-N 493.607 6.352 50 10 JKGE CCOc1ccc([C@@H](O)CCC(=O)NN=Cc2cn(Cc3cccc(C)c3)c3ccccc23)cc1 1084597169 VMLFQTZGVDFFJN-NDEPHWFRSA-N 469.585 5.361 50 10 JKGE O=C(NN=Cc1cc(Cl)cc(Cl)c1)C(O)(c1ccc(Cl)cc1)c1ccc(Cl)cc1 1088674990 OETJIJHXASPYQG-UHFFFAOYSA-N 468.167 5.686 50 10 JKGE Cc1c(C(=O)Nc2cc(Cl)cc(Cl)c2)oc2c1C(=NNC(=O)c1ccccc1Cl)CCC2 1772743540 BHZVGLJOQWDLSK-UHFFFAOYSA-N 490.774 6.271 50 10 JKGE Cc1cc(Cl)ccc1NC(=O)c1oc2c(c1C)C(=NNC(=O)c1ccccc1F)CCC2 1772743736 GSRDCWYUBMMGNV-UHFFFAOYSA-N 453.901 5.412 50 10 JKGE CN(C)c1ccc([C@@H]2C(C#N)=C(N)Oc3c2c(-c2ccccc2)nn3Cc2ccc(Cl)cc2)cc1 1865683003 CQRNTOCMEICDQL-XMMPIXPASA-N 481.987 5.536 50 10 JKGE N#CC1=C(N)Oc2c(c(-c3ccccc3)nn2-c2cccc(Cl)c2)[C@H]1c1ccc(Cl)c(Cl)c1 1865685850 NIECSJIGQYYEKF-NRFANRHFSA-N 493.781 6.718 50 10 JKGE N#CC1=C(N)Oc2c(c(C(F)(F)F)nn2-c2ccc(Cl)c(Cl)c2)[C@H]1c1cccc([N+](=O)[O-])c1 1865706016 LUCIEAAPYQJGOL-HNNXBMFYSA-N 496.232 5.324 50 10 JKGE CCc1ccc([C@@H]2C(C#N)=C(N)Oc3c2c(-c2ccccc2)nn3-c2ccccc2Cl)cc1 1865708670 CDTUALKXKSBHFV-HSZRJFAPSA-N 452.945 5.973 50 10 JKGE CSCC[C@H](NC(=O)C[C@H](c1ccc(F)cc1)C(C)C)C(=O)Nc1ccc(SC#N)cc1 1866751751 BQASWDXKCBBTEH-VXKWHMMOSA-N 473.639 5.405 50 10 JKGE CCN(Cc1ccccc1)c1ccc(/C=C(\C#N)c2nc(-c3ccc(-c4ccccc4)cc3)cs2)cc1 1872782290 BISXBGMVFJCZCF-MWAVMZGNSA-N 497.667 8.568 50 10 JKGE CCOc1ccc(/C=C(C(/O)=C(\C#N)c2nc(-c3cc(C)ccc3OC)cs2)\c2ccccc2)cc1 1873921010 PWQNXDLIYMYQQJ-BJVQSHRUSA-N 494.616 7.559 50 10 JKGE Fc1c(Br)cc(Cl)c([C@H](Br)[C@H]2C[C@@H]2Cl)c1Br 1900374175 ZHNJZITYFSTUFQ-JIXHXVHPSA-N 455.774 6.067 50 10 JKGE FC(F)(F)[C@@H]1C[C@H]1C[C@H](Br)c1sc(Br)cc1Br 1908749377 YDTLUJBSLJLGFZ-JKUQZMGJSA-N 456.947 6.298 50 10 JKGE Cc1cc(S(=O)(=O)N(Cc2ccccc2)[C@H](CBr)C(C)C)sc1Br 1915295336 IZWBFPDHTMBIFB-OAHLLOKOSA-N 495.302 5.429 50 10 JKGE CC(C)(CCl)N(Cc1ccccc1)S(=O)(=O)c1c(Cl)cccc1Br 1915750515 WDDBMZZTBDPFQH-UHFFFAOYSA-N 451.213 5.311 50 10 JKGE FC1CC(C[C@@H](Br)c2c(Br)sc(Br)c2Cl)C1 1923071003 GJQHBTCBTIUNSE-JMMWHDCWSA-N 455.412 6.501 50 10 JKGE C[C@@H](c1ccncc1Br)[C@H](Br)c1cccc(Br)c1Cl 1924040966 SDSSZUVRQRHHNX-SDBXPKJASA-N 468.414 6.500 50 10 JKGE Cc1nsc(Br)c1[C@@H](Br)[C@@H](C)c1ccncc1Br 1924065605 WFUIXTRJQIGWLB-KGFZYKRKSA-N 455.013 5.611 50 10 JKGE CC1([C@H](Cl)c2c(Br)sc(Br)c2Br)CC(F)C1 1924569386 UOTFFOCQDJEXES-POUYQYJTSA-N 455.412 6.454 50 10 JKGE Fc1cc(Br)ccc1C[C@@H](Cl)c1c(Cl)sc(Br)c1Cl 1925616742 FNNZXRLFEAIAQW-SSDOTTSWSA-N 467.412 7.242 50 10 JKGE CC12CC([C@H](Br)c3c(Br)sc(Br)c3Cl)(CO1)C2 1950598319 FGRJGOAFLLMPMY-CAZGOSDBSA-N 465.432 5.932 50 10 JKGE BrC[C@@H]1CCC[C@H](c2ccc(OCc3ccccc3)c(OCc3ccccc3)c2)O1 1989166071 GWBPWSRZTSSMEC-BJKOFHAPSA-N 467.403 6.850 50 10 JKGE C[C@@]1([C@H](Cl)c2c(Br)sc(Br)c2Br)COCCO1 2021894709 BCDURBFTUVRNJP-XCBNKYQSSA-N 469.420 5.121 50 10 JKGE CCc1sc(Br)cc1[C@H](Br)c1cc(Br)ccc1Cl 2030222621 RBFBMUTZZZUNET-CYBMUJFWSA-N 473.455 6.973 50 10 JKGE CC1(C)C[C@H](Br)CCN1C(=O)c1cc(Br)c(Br)s1 2050650309 UAEAHWXUKBYSEJ-SSDOTTSWSA-N 460.029 5.051 50 10 JKGE Cc1c(Br)sc([C@@H](Br)C2(C)CCCCCC2)c1Br 2052513520 UJJFGGPQPOLIDA-GFCCVEGCSA-N 459.085 7.378 50 10 JKGE Cc1cc(Br)c(CBr)c(N2CCCN(Cc3ccccc3)CCC2)c1 2053212434 LCUBZKKJYYAQTM-UHFFFAOYSA-N 466.261 5.755 50 10 JKGE C[C@H](c1cccs1)N(Cc1ccccc1)S(=O)(=O)c1csc(CBr)c1 2059284284 JAPCUHXEXBYMQX-CQSZACIVSA-N 456.452 5.657 50 10 JKGE FC(F)(F)c1ccc(-n2nc(CCl)c(I)c2C(F)(F)F)cc1 2079211446 RTYHFZXHHYXPLO-UHFFFAOYSA-N 454.539 5.253 50 10 JKGE Cc1c(Br)ccc([C@H](Br)[C@H]2C[C@@H]2C(F)(F)F)c1Br 2083331532 ADVKDQGSCUGKRA-LAEOZQHASA-N 450.918 6.154 50 10 JKGE Clc1cccc(CBr)c1OCc1ccc(Br)cc1Br 2092267115 OCTCAKUXEHVCHK-UHFFFAOYSA-N 469.398 6.339 50 10 JKGE C[C@H]1CCO[C@@H]1CC(CBr)(CBr)c1ccccc1Br 2096124052 DMXWPAKUEMGKDS-SMDDNHRTSA-N 455.028 5.292 50 10 JKGE C[C@@H](Br)C12CCC(CC1)N2Cc1c(Br)cccc1Br 2097057679 SEVTZYOYFJPNPS-RWWNRMGGSA-N 452.028 5.492 50 10 JKGE Fc1cc(Cl)c(Br)cc1[C@@H](Cl)c1cccc(F)c1I 2097823642 IKZGYEBJZYUULP-LBPRGKRZSA-N 477.901 6.314 50 10 JKGE O=C(NC[C@H]1CCCC[C@@H](Br)C1)c1csc(Br)c1Br 2107482191 XFYWLDGYLVJABX-DTWKUNHWSA-N 474.056 5.347 50 10 JKGE CC(C)(CBr)c1cn(-c2c(Br)cc(Cl)cc2Br)nn1 2108759503 DLLQVNOJTIYXAM-UHFFFAOYSA-N 472.406 5.118 50 10 JKGE Fc1cc(F)c([C@@H](Cl)c2c(Br)sc(Br)c2Cl)cc1Cl 2122798104 BTYYNTVDOWGKBS-MRVPVSSYSA-N 471.375 7.186 50 10 JKGE Cc1cc(Cl)c(Br)cc1[C@@H](Br)c1c(Br)c(C)nn1C 2137649204 UXSZAMAAFWEIBN-GFCCVEGCSA-N 471.418 5.700 50 10 JKGE Clc1cc(CNC2(CCBr)CCCCC2)ccc1I 2142944369 SLWXDBDSEGNSKB-UHFFFAOYSA-N 456.593 5.522 50 10 JKGE CC1(CC(CBr)(CBr)c2ccc(Br)cc2)CCOCC1 2143857152 NEIRSKSOJIWSNN-UHFFFAOYSA-N 469.055 5.684 50 10 JKGE COc1c(C)cc(Br)c(C)c1[C@H](Br)c1cc(Br)n(C)n1 2150479300 VDCZDCLVKZFFGO-CYBMUJFWSA-N 466.999 5.055 50 10 JKGE Brc1cccc(Br)c1[C@H](Br)c1cccc2ccccc12 2150495554 XRWISAFMZVBORY-QGZVFWFLSA-N 454.987 6.849 50 10 JKGE CC(C)(C)OC(=O)N1CCC[C@H]([S@](C)(=O)=NCCCCCCCCCBr)C1 2163058340 JVDPAZRIPXCUNG-MYUZEXMDSA-N 467.514 5.609 50 10 JKGE ClCc1nc2cc(Cl)c(Br)cc2n1CC1(CCOCc2ccccc2)CC1 2169009877 SUZDBRGUEYNHQP-UHFFFAOYSA-N 468.222 6.578 50 10 JKGE ClCc1nc2c(Br)cccc2n1-c1ccc(Br)c(Br)c1 2185906868 GMWGJHCFLJTAIO-UHFFFAOYSA-N 479.397 6.052 50 10 JKGE CC(C)C(CC(CBr)(CBr)c1cccc(Br)c1)C(C)C 2189103733 AQPOUFFOZKEXBV-UHFFFAOYSA-N 469.099 6.795 50 10 JKGE Cc1cc(Br)c(C)c([C@@H](Br)[C@H]2CCCC3(CC3)C2)c1Br 2201061423 FBBJWNQXLUBYJC-LRDDRELGSA-N 465.067 7.235 50 10 JKGE COc1cc(F)c([C@@H](Cl)c2ccc(Br)cc2Br)cc1Br 2202902307 OSMRWFLDVBBYPA-AWEZNQCLSA-N 487.388 6.450 50 10 JKGE COc1c(C)cc(Br)cc1[C@@H](Br)Cc1ccc(Br)cc1 2206598941 RLPPFPNZSTTWDY-HNNXBMFYSA-N 463.007 6.207 50 10 JKGE Cc1ccc(C[C@@H](CBr)Cc2ccc(I)c(Cl)c2)cc1 2208042006 BAEGMWOMMJSBFQ-OAHLLOKOSA-N 463.584 6.049 50 10 JKGE FC(F)(F)[C@@H]1CC[C@H]1[C@@H](Cl)c1c(Br)sc(Br)c1Br 2217669790 CVPXBAVMDRARKW-XAQAVTJOSA-N 491.392 6.904 50 10 JKGE Cc1sc(Br)c(C)c1[C@@H](Br)c1cc(Cl)c(C)c(Br)c1 2225856463 CRKVAOAECDVDDB-ZDUSSCGKSA-N 487.482 7.336 50 10 JKGE Cc1cc(Br)c([C@H](Br)[C@@H]2C[C@H](C)O[C@@H]2C)c(C)c1Br 2227359541 JAZZMGASDMSAGK-HEVDRARRSA-N 455.028 6.078 50 10 JKGE Cc1cc(Br)c([C@@H](Br)C23CC(C2)[C@H](C)O3)c(C)c1Br 2227360237 QJOXMKPZLJWIRN-AYFMIFPQSA-N 453.012 5.832 50 10 JKGE FC(F)(F)Oc1ccc(OCCCCCI)cc1Br 2227430592 FWDDKKBWXQYCQK-UHFFFAOYSA-N 453.036 5.332 50 10 JKGE COc1c(C(C)C)cc(Br)cc1[C@H](Br)c1ccsc1Br 2233161128 BCICPWIMVHUEHG-CYBMUJFWSA-N 483.063 6.889 50 10 JKGE Cc1cc(Br)c([C@@H](Br)[C@H](C)c2ccccc2)c(C)c1Br 2235602316 YYGLCWUJNIDMFB-DIFFPNOSSA-N 461.035 7.068 50 10 JKGE Cc1cc(Br)c([C@H](Br)[C@H]2C[C@H](C)O[C@H](C)C2)c(C)c1Br 2235616111 YMXXRUOPRKVJGW-DXCMXYRUSA-N 469.055 6.468 50 10 JKGE Fc1cc(F)c([C@@H](Br)c2ccc(Br)cc2Cl)c(F)c1Br 2236107139 GBGLPUHUAHIGKN-NSHDSACASA-N 493.342 6.767 50 10 JKGE Cc1sc([C@@H](Cl)c2csc3c(Br)cccc23)c(Br)c1C 2237629270 HECVFMDEPAXJDF-ZDUSSCGKSA-N 450.648 7.433 50 10 JKGE CC(C)(CCF)[C@H](Br)c1c(F)cc(Br)c(F)c1Br 2260005970 NMKRFFASCLBDFZ-LLVKDONJSA-N 452.934 6.312 50 10 JKGE CC1CC2(C1)CC(CBr)(Cc1c(Br)cccc1Br)C2 2272079156 BIGNMYJSFBMGIT-UHFFFAOYSA-N 451.040 6.346 50 10 JKGE BrCC(CBr)(CCc1ccccc1)Cc1ncc(Br)s1 2286713093 FURNELYKVFOCHF-UHFFFAOYSA-N 482.079 5.857 50 10 JKGE COc1c([C@H](Br)c2scc(C(F)(F)F)c2Br)csc1C 2287220914 SLGPZQIWXICEDI-QMMMGPOBSA-N 450.139 6.392 50 10 JKGE C=CCC1(CBr)CCN(Cc2c(Br)cccc2Br)CC1 2287715466 CVJIERLVZMIXMR-UHFFFAOYSA-N 466.055 5.765 50 10 JKGE FC1CC2(C1)CC(CO[C@H](CI)c1cccc(Br)c1)C2 2288342155 FPABKCYGPXFURF-HGQARUDJSA-N 453.133 5.470 50 10 JKGE Fc1cc(Br)c(Br)cc1[C@H](Br)c1ccc(C(F)(F)F)s1 2295256851 QSJXUBWQRLXVPZ-NSHDSACASA-N 496.943 6.915 50 10 JKGE Cc1cc(Cl)c([C@@H](Cl)Cc2cc(Br)cc(Br)c2)cc1Cl 2295276842 KEIAFCDANPKBMY-HNNXBMFYSA-N 457.420 7.349 50 10 JKGE CCOc1cc(C=C(C#N)c2ccc(C(=O)O)cc2)cc(Cl)c1OCc1ccccc1C#N 2297379222 GAIKRZURJOOANY-UHFFFAOYSA-N 458.901 5.952 50 10 JKGE Cc1ccc2nc(C(C#N)=Cc3cc([N+](=O)[O-])c(N4CCCCC4)cc3N3CCCCC3)[nH]c2c1 2297617161 CMILYSXWKWNERJ-UHFFFAOYSA-N 470.577 5.824 50 10 JKGE Brc1ccc(OCc2ccccc2)c([C@@H](Br)[C@H]2C[C@H]3CC[C@H]2O3)c1 2299500688 HZWDGXBFVMWZMB-MCYKXBRJSA-N 452.186 6.032 50 10 JKGE CC[C@@H]1CC[C@@H]([C@@H](Br)c2ccc(OCc3ccccc3)cc2Br)O1 2299535029 KOAAQBLLIGEUOM-XPGWFJOJSA-N 454.202 6.422 50 10 JKGE C[C@@]1([C@H](Br)c2sc(Cl)cc2I)CCCC1(F)F 2300953970 QPBBBJHHMQJRAM-ZJUUUORDSA-N 455.533 6.268 50 10 JKGE Cc1ccc(NC(=O)C(C#N)=Cc2cc(Cl)c(OCc3cccc(C)c3)c(Br)c2)cc1 2313568053 OJIWVLBXRXAQMZ-UHFFFAOYSA-N 495.804 6.844 50 10 JKGE Cc1cccc(COc2ccc(C=C(C#N)C(=O)Nc3sc4c(c3C#N)CCCC4)cc2)c1 2313630813 UZBDXFWNCBFRAN-UHFFFAOYSA-N 453.567 5.932 50 10 JKGE COc1ccc(N2C(=O)[C@@H](Cc3ccccc3C)SC2=C(C#N)C(=O)Nc2ccccc2OC)cc1 2314591671 AWXMDRNDCUPFCP-RUZDIDTESA-N 499.592 5.077 50 10 JKGE Cc1ccccc1C[C@@H]1SC(=C(C#N)C(=O)Nc2ccccc2C)N(c2ccc(C(C)C)cc2)C1=O 2314592157 MQPQMEJGYLDHIK-MHZLTWQESA-N 495.648 6.492 50 10 JKGE CCc1ccc(N2C(=O)[C@@H](Cc3cc(C(F)(F)F)ccc3Cl)SC2=C(C#N)C(=O)NC)cc1 2314593539 OTGKPJPZADAXRY-LJQANCHMSA-N 493.938 5.093 50 10 JKGE CCCCCCCOc1ccc(C=C2C(=O)N(CCCOC(C)C)C(=O)C(C#N)=C2C)cc1 2314618754 SWSVHCYRMJKVDP-UHFFFAOYSA-N 452.595 5.443 50 10 JKGE Cc1occc1[C@H](Br)c1c(Cl)cc(Br)c(F)c1Br 2315448837 HDGQDVNEYMACQL-JTQLQIEISA-N 461.350 6.390 50 10 JKGE Cc1ccsc1[C@@H](Br)c1c(Cl)cc(Br)c(F)c1Br 2315449463 PHIDEPJASCRCII-JTQLQIEISA-N 477.418 6.858 50 10 JKGE COc1ccc(C(C#N)=Cc2cccc(OC(=O)CCCOc3ccc(Cl)cc3Cl)c2)cc1 2320510944 GJKLGAIKZCHSPC-UHFFFAOYSA-N 482.363 6.831 50 10 JKGE CC1(C)[C@@H](Br)CCCN1Cc1ccc(I)c(Br)c1 2325210675 ANVADWBTYRKPML-ZDUSSCGKSA-N 487.017 5.192 50 10 JKGE N#CC(=C(O)CCCN1C(=O)c2cccc([N+](=O)[O-])c2C1=O)c1nc(-c2ccccc2Cl)cs1 2331271484 PSUMEXAKUPPFTP-UHFFFAOYSA-N 494.916 5.241 50 10 JKGE COc1cc(C=CC(O)=C(C#N)c2nc(-c3c(C)cc(C)cc3C)cs2)ccc1OC(C)=O 2331394024 USKOGWUGIWHZNH-UHFFFAOYSA-N 460.555 6.175 50 10 JKGE CCCCOc1c(Br)cc(C=C(C#N)c2nc(-c3ccc(CC)cc3)cs2)cc1OC 2331417781 PDPPANWOFPMVKC-UHFFFAOYSA-N 497.458 7.387 50 10 JKGE CCCOc1c(C=C(C#N)c2nc(-c3ccc(OCC)cc3OCC)cs2)cccc1OC 2331473651 QZRWVAFDPKVPAO-UHFFFAOYSA-N 464.587 6.469 50 10 JKGE Brc1ccc(OCc2ccccc2)c([C@H](Br)C[C@@H]2CCCCC23CC3)c1 2336044833 QXULISWKYSNLHA-GHTZIAJQSA-N 478.268 7.825 50 10 JKGE CC[C@@]12CC[C@@]([C@H](Br)c3cc(Br)ccc3OCc3ccccc3)(CO1)C2 2336074444 GHQHELVAKBOHHH-FSSWDIPSSA-N 480.240 6.813 50 10 JKGE C[C@H]([C@@H]1CCCO1)[C@@H](Br)c1c(Cl)cc(Br)c(F)c1Br 2337105399 XIUHOWGXJCQEBM-OUAIYISWSA-N 479.409 6.255 50 10 JKGE Cc1cc(Br)c(F)c(Br)c1[C@H](Br)[C@@H](C)C1CCCC1 2339654889 VKRZTIWWKDFXIS-TVQRCGJNSA-N 457.019 6.921 50 10 JKGE Cc1cc(Br)c(F)c(Br)c1[C@H](Br)[C@H]1[C@H]2COCC[C@H]21 2339656547 OWZUTCTULKALSY-FCMYFTRRSA-N 456.975 5.378 50 10 JKGE Fc1cc(F)c([C@H](Br)c2ccc(Cl)cc2I)cc1F 2340062135 WFSVKZDSFZSPNI-CYBMUJFWSA-N 461.446 5.846 50 10 JKGE Fc1cc(Cl)c([C@@H](Cl)c2cc(Br)ccc2OCc2ccccc2)c(Cl)c1 2340797312 BXPBCZRXDGTNDY-FQEVSTJZSA-N 474.584 7.802 50 10 JKGE Cc1ccc(Oc2c(Cl)cc(Br)cc2Cl)c(CBr)c1Cl 2360528436 UODNHWLZGHXEIA-UHFFFAOYSA-N 459.392 7.405 50 10 JKGE Brc1cc(OCc2ccccc2)ccc1[C@@H](Br)[C@H]1CC2(CCCCC2)CO1 2361168672 NVTXUXWVWQGSGZ-FGZHOGPDSA-N 494.267 7.204 50 10 JKGE Cc1cc([C@@H](Cl)c2c(C)cc(Br)c(F)c2Br)ccc1Br 2365188582 MQRXMUQOLUNYEN-CQSZACIVSA-N 485.416 7.058 50 10 JKGE COc1c(Br)cc(C)c([C@@H](Br)C[C@@H](C)C(F)(F)F)c1Br 2365188893 PIBLRMAZEFFSJM-SFYZADRCSA-N 482.960 6.553 50 10 JKGE COc1c(Br)cc(C)c([C@@H](Br)CC2CC(OC)C2)c1Br 2365216553 VNQZKOBGTNKQBA-ILDUYXDCSA-N 471.027 5.780 50 10 JKGE COc1c(Br)cc(C)c([C@H](Br)C2[C@H]3CCCC[C@H]23)c1Br 2365230852 KGWQGGPKJBQSCU-BHDSKKPTSA-N 467.039 6.401 50 10 JKGE Clc1cc(Cl)cc(CC[C@H](Cl)c2ccc(I)c(Cl)c2)c1 2366874178 BAZISPZQEDFGRY-ZDUSSCGKSA-N 459.969 7.164 50 10 JKGE N#C/C(C(=O)Nc1ccccc1)=C1\S[C@H](Cc2cc(Cl)ccc2Cl)C(=O)N1c1ccccc1 2356240 JKFCNINQRRNUCM-IQQNDYETSA-N 494.403 6.058 50 10 JKGE CCOc1ccc(/C=C/C(=O)Oc2cccc(/C=C(/C#N)c3ccc(OC)c(OC)c3)c2)cc1OC 31902963 UKRCYPPRYISWEQ-NHGLXRKWSA-N 485.536 5.794 50 10 JKGE CCCCCOc1ccc(/C=C2/C(=O)N(CCc3ccc(OC)cc3)C(=O)C(C#N)=C2C)cc1 38608636 RSKJHLPTCJIPPX-XIEYBQDHSA-N 458.558 5.099 50 10 JKGE COc1ccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)COc4ccc(C(C)C)cc4)ccc32)cc1 38650393 DFSWSZNXDYNNSC-HHHXNRCGSA-N 470.525 5.021 50 10 JKGE Cc1cccc(OCC(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@@H]3c2cccc3ccccc23)c1 38657777 ANOWUCWIUOFOHF-MUUNZHRXSA-N 462.505 5.351 50 10 JKGE Cc1cc(OC(=O)c2oc3c(c2C)/C(=N/NC(=O)c2cccs2)CCC3)cc(C)c1Cl 40823768 YFTYGHGKVDNFOS-PCLIKHOPSA-N 456.951 5.609 50 10 JKGE C=CCc1cc(/C=N\NC(=O)CC[C@@H](O)c2ccccc2)cc(OC)c1OCc1cccc(F)c1 58892057 BXJBZULCENAYCU-TZMKENEKSA-N 476.548 5.106 50 10 JKGE Cc1cccc(NC(=O)/C(C#N)=C/c2cc(C)n(-c3ccc(N4CCOCC4)cc3)c2C)c1C 59087110 YYSBCRZNQGPBGP-JJIBRWJFSA-N 454.574 5.093 50 10 JKGE COc1cc(/C=C(\C#N)C(=O)Nc2ccccc2)ccc1OCc1c(Cl)cccc1Cl 59116706 BIGRTIFEGONBOH-SFQUDFHCSA-N 453.325 6.127 50 10 JKGE O=C(N/N=C\c1cc(Br)ccc1OC(=O)c1ccc(Cl)cc1)c1ccc(Cl)cc1 59500447 ZZZZLCBHIQJMIH-ROTLSHHCSA-N 492.156 5.739 50 10 JKGE CCOc1ccc2nc(Sc3ccc(/C=N/NC(=O)CCc4ccccc4O)o3)sc2c1 59506467 LZHJRPTVYQQDSR-ZVHZXABRSA-N 467.572 5.228 50 10 JKGE N#C/C(=C/c1cn(Cc2ccc(Cl)c(Cl)c2)c2ccccc12)C(=O)NCc1cccs1 59534460 NDRCXAGTJPAPPX-BOPFTXTBSA-N 466.393 6.281 50 10 JKGE CC(C)Cc1ccc([C@@H](C)C(=O)NNC(=O)c2ccc(NC(=O)c3ccc(C(C)(C)C)cc3)cc2)cc1 66199323 ZMNKHOWBAHWWOO-OAQYLSRUSA-N 499.655 6.000 50 10 JKGE ClCCc1nc2cc(I)ccc2n1-c1ccc(Br)cc1 97353893 JZUIJVBNVZQUMY-UHFFFAOYSA-N 461.528 5.174 50 10 JKGE O=C(N/N=C/c1c2ccccc2cc2ccccc12)c1cccc(NC(=O)c2ccccc2Cl)c1 97729829 NHHYWPCXQKVIAQ-FDAWAROLSA-N 477.951 6.663 50 10 JKGE COc1cccc([C@H](C(=O)NC2CCCCC2)N(Cc2ccccc2Cl)C(=O)CCl)c1 97915126 XIFKIHRGMVOYME-HSZRJFAPSA-N 463.405 5.106 50 10 JKGE Cc1ccc(-c2csc(/C(C#N)=C\Nc3ccccc3I)n2)c(C)c1 102937658 HCPRMDOBJYHDCY-PTNGSMBKSA-N 457.340 6.008 50 10 JKGE Brc1cc([C@H](Br)[C@H]2CCOc3ccccc32)c(Br)s1 104194006 GQRYZZCNULRFMZ-TVQRCGJNSA-N 467.020 6.275 50 10 JKGE COc1cc(Br)c([C@H](Cl)c2cccc(I)c2)cc1OC 109817428 QSZNIZCDSAASRA-OAHLLOKOSA-N 467.528 5.399 50 10 JKGE BrCC(CBr)(CC1CCOCC1)c1ccc(Br)cc1 118671753 WNSNRLMUMDKAPG-UHFFFAOYSA-N 455.028 5.293 50 10 JKGE Fc1cc(Cl)ccc1[C@@H](Br)c1cc(Br)c(Br)s1 128233799 BZTHSXDJVVIUGJ-SNVBAGLBSA-N 463.391 6.550 50 10 JKGE CC1(C)C(=O)Nc2ccc([C@H](Br)c3cc(Br)c(Br)s3)cc21 128571952 QYFAYNJGPGWDRX-LBPRGKRZSA-N 494.046 5.987 50 10 JKGE Cc1cc(Br)c([C@H](Br)c2cccc(Cl)c2)cc1Br 128741555 NLBKHVBEYGKDQG-CQSZACIVSA-N 453.399 6.658 50 10 JKGE Cc1cc(Br)c([C@H](Br)c2ccc(C(C)C)cc2)cc1Br 128764908 NLISRFUYRADJHH-QGZVFWFLSA-N 461.035 7.128 50 10 JKGE C[C@@](CBr)(OCc1ccc(Br)cc1)c1ccccc1Br 162536821 XKWQDHCIZBCHES-INIZCTEOSA-N 463.007 6.039 50 10 JKGE C/C(=C\C[P+](c1ccccc1)(c1ccccc1)c1ccccc1)c1ccc2c(c1)C(C)(C)CCS2 169647872 NXSBRKNTKZDCTM-YYADALCUSA-N 493.676 7.857 50 10 JKGE COc1ccc(CN(Cc2ccc(OC)cc2)C(=O)NC[C@@]2(C)C[C@@H](N=C=O)CC(C)(C)C2)cc1 170289292 QGXXQUMGVGBPSG-FIPFOOKPSA-N 479.621 5.336 50 10 JKGE CC(C)(C)c1ccc(/C=C\C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@H]3c2cccc(F)c2)cc1 205652670 MPNKHTBDYCUUQP-FEMMLKEQSA-N 468.528 5.960 50 10 JKGE CCN1C(=O)C(C#N)=C(C)/C(=C/c2cn(-c3ccccc3)nc2-c2ccc(OCC(C)C)cc2)C1=O 214209183 PPAGBUXOLULQLY-MYYYXRDXSA-N 480.568 5.186 50 10 JKGE C[C@H](NC(=O)/C(C#N)=C\Nc1ccc(Cl)cc1C(F)(F)F)C12CC3CC(CC(C3)C1)C2 217054502 AJVPNLMMDWZYFA-UORUSPLLSA-N 451.920 5.899 50 10 JKGE COc1ccc([C@@H](Br)c2cc(Cl)cc(Cl)c2)c(OC)c1Br 224846387 KPLUNDHVUVJPEL-ZDUSSCGKSA-N 454.973 6.257 50 10 JKGE O=[N+]([O-])c1ccc(C[C@@H](Br)c2ccc(Br)cc2Br)cc1 232476671 CKADRDNRZJUZJN-CYBMUJFWSA-N 463.951 5.799 50 10 JKGE Cc1cc(F)cc(C)c1[C@H](Br)c1cc(Br)ccc1I 235786011 SNTPBCGQCDRLMG-OAHLLOKOSA-N 497.971 6.294 50 10 JKGE Clc1ccc(Cl)c([C@H](Br)c2ccc(Br)cc2Br)c1 236060937 ARFSMKKOLMSGQC-CYBMUJFWSA-N 473.817 7.003 50 10 JKGE Clc1ccc([C@H](Br)c2cc(Br)cc(Br)c2)cc1Cl 236066114 OLVSQFLHYLWMQV-ZDUSSCGKSA-N 473.817 7.003 50 10 JKGE Clc1ccc(I)c([C@@H](Br)c2ccc3c(c2)OCCO3)c1 236084173 ZVABNKPFLNWYSB-HNNXBMFYSA-N 465.512 5.200 50 10 JKGE CCCCCCCCCCCCCC(=O)NCC(=O)NN=Cc1ccccc1C(F)(F)F 254397053 PCRHTCNFMIPNKZ-UHFFFAOYSA-N 455.565 5.973 50 10 JKGE O=C(NN=Cc1cccc(Oc2ccccc2)c1)NN=Cc1cccc(Oc2ccccc2)c1 254797608 IFYRTEGTSXJSCQ-UHFFFAOYSA-N 450.498 5.938 50 10 JKGE COc1cccc(C=NNC(=O)CSc2nnc(SCc3cccc4ccccc34)s2)c1 254798823 RAFQQFSCUAZEJB-UHFFFAOYSA-N 480.640 5.235 50 10 JKGE Cc1cccc([C@H](Br)c2cc(Cl)ccc2Cl)c1I 300473950 ZHZDXQZBFLSKJB-ZDUSSCGKSA-N 455.948 6.391 50 10 JKGE CSc1ccccc1[C@@H](Br)c1cc(I)cc2c1OCC2 312392240 TUMJMJTZVHJNBA-OAHLLOKOSA-N 461.162 5.432 50 10 JKGE Fc1cc2c(cc1Br)nc(CCCl)n2C[C@H]1CCN(Cc2ccccc2)C1 312608101 GKUVASXKMBKLBG-INIZCTEOSA-N 450.783 5.241 50 10 JKGE CCOc1ccc([C@H](Br)c2ccsc2Br)c(Br)c1 698554879 ZLVOBWKBDCURHK-LBPRGKRZSA-N 455.009 6.156 50 10 JKGE O=[N+]([O-])c1sc(CBr)cc1N1CC[C@@H]2[C@@H](CCCN2Cc2ccccc2)C1 715015761 UJBXVULHXJDCLJ-FUHWJXTLSA-N 450.402 5.042 50 10 JKGE COc1cc(F)c([C@@H](Cl)c2ccc(I)c(Br)c2)c(F)c1 721573324 QWYCGYGVGABYAD-AWEZNQCLSA-N 473.482 5.669 50 10 JKGE Cc1cc([C@@H](Cl)c2ccc(I)c(Br)c2)c(C)cc1F 721606653 AISHWOXHUCVUQB-HNNXBMFYSA-N 453.520 6.138 50 10 JKGE O=C(N[C@@H]1CCc2ccccc21)[C@@H](c1cccs1)N(C(=O)CCl)c1cccc(C(F)(F)F)c1 725238686 WJALURBIZZAUQT-DENIHFKCSA-N 492.950 5.884 50 10 JKGE Cc1cc(C=NNC(=O)C(=O)Nc2ccc(Cl)c(Cl)c2)c(C)n1-c1ccc(Cl)c(Cl)c1 1084060421 DGVSMVCVKCPJAJ-UHFFFAOYSA-N 498.197 5.797 50 10 JKGE COc1cccc(C(=O)NN=Cc2cc(OC)ccc2Oc2ccc(C(F)(F)F)cc2[N+](=O)[O-])c1 1084196171 PQIACQFXTOCEEG-UHFFFAOYSA-N 489.406 5.187 50 10 JKGE O=C(NN=Cc1ccc(-c2ccccc2[N+](=O)[O-])o1)c1cc2cc(Br)ccc2o1 1084533116 URBCEWZLAWXTTK-UHFFFAOYSA-N 454.236 5.127 50 10 JKGE FC(F)(F)c1ccc(Br)c([C@H]2CN(Cc3ccccc3)C[C@@H]2CBr)c1 1614689984 CLQUWVABKHCEDB-YOEHRIQHSA-N 477.162 6.078 50 10 JKGE CCOc1cc(OCC)cc(C(=O)NCc2ccc(OC(=O)Nc3ccc(SC#N)cc3)cc2)c1 1858910593 MAQIKASHKDCYJU-UHFFFAOYSA-N 491.569 5.598 50 10 JKGE N#CC1=C(N)Oc2c(c(-c3ccccc3)nn2Cc2ccccc2Cl)[C@H]1c1cccc(O)c1 1865681833 YDHQSYOPPVDSHM-QFIPXVFZSA-N 454.917 5.176 50 10 JKGE Cc1ccc(C)c(Cn2nc(C(F)(F)F)c3c2OC(N)=C(C#N)[C@H]3c2ccc(C(C)(C)C)cc2)c1 1865682275 KWDSVHAUKNUOPA-OAQYLSRUSA-N 480.534 6.083 50 10 JKGE N#CC1=C(N)Oc2c(c(-c3ccccc3)nn2-c2cccc3ccccc23)[C@H]1c1ccccc1F 1865683039 DQMXLIBDLJRBBX-VWLOTQADSA-N 458.496 6.050 50 10 JKGE COc1ccc2ccccc2c1[C@@H]1C(C#N)=C(N)Oc2c1c(C(F)(F)F)nn2Cc1ccc(C)cc1 1865688105 JNGXWKKPYAGUJH-QFIPXVFZSA-N 490.485 5.639 50 10 JKGE CCOc1ccc([C@H]2C(C#N)=C(N)Oc3c2c(-c2ccccc2)nn3-c2ccc(Cl)cc2)cc1OC 1865694998 HODJEOCTWSRWFC-DEOSSOPVSA-N 498.970 5.818 50 10 JKGE CCCN(CCCN(C)C)c1cc(Nc2ccc(SC#N)cc2)nc(-c2cccc(OC)c2)n1 1868505552 HZRCIBGEWVRWLR-UHFFFAOYSA-N 476.650 5.637 50 10 JKGE COc1cc(-c2csc(/C(C#N)=C(\O)c3cc(OC)c(OC)c(OC)c3)n2)c(OC)cc1Cl 1872754973 RXAVLBWUITXORC-STZFKDTASA-N 488.949 5.456 50 10 JKGE CSCC[C@H](NC(=O)OC(C)(C)C)C(=O)N/N=C/c1ccc(OCc2ccccc2Cl)cc1 1873793284 HCJWVMAZRHNWQF-YYHBXHNPSA-N 492.041 5.016 50 10 JKGE COC1(C(F)(F)[C@@H](Br)c2cc(Br)c(Br)s2)CCC1 1912500142 JWPYZSPQWNXSDO-QMMMGPOBSA-N 468.983 5.914 50 10 JKGE C[C@@H](Cl)c1nc2c(Br)cc(F)cc2n1C[C@@H]1CCCN1Cc1ccccc1 1912668374 FYFFEOWNCHSAFH-PBHICJAKSA-N 450.783 5.902 50 10 JKGE CC[C@@H](Br)CN(Cc1ccccc1)Cc1ccc(I)cc1 1915108656 AZXHCFTZTVNNTM-QGZVFWFLSA-N 458.181 5.467 50 10 JKGE Clc1c(Br)sc(Br)c1[C@@H](Br)[C@H]1C[C@H]2CC[C@H]1O2 1923047182 AXUQMHGENIDLEO-FUYZFFOTSA-N 465.432 5.930 50 10 JKGE Clc1c(Br)sc(Br)c1[C@@H](Br)CC[C@@H]1CCCO1 1923070918 FLFCJKGHZOFPJK-BQBZGAKWSA-N 467.448 6.322 50 10 JKGE FC(F)(F)C[C@@H](Cl)c1c(Br)sc(Br)c1Br 1924575842 GSPBNZOVFGCSEW-UWTATZPHSA-N 451.327 6.268 50 10 JKGE Fc1cc(Br)ccc1[C@H](Cl)c1c(Cl)sc(Br)c1Cl 1925589046 RLTJHFSTJRQOLL-QMMMGPOBSA-N 453.385 7.047 50 10 JKGE CCOC1([C@H](Cl)c2c(Br)sc(Br)c2Br)CC1 1979427529 RLXWIESOFKEYOX-SSDOTTSWSA-N 453.421 5.885 50 10 JKGE C[C@@H](C[C@@H](Cl)c1c(Br)sc(Br)c1Br)C1CC1 1983715143 FORRBWPMHRQYJP-CAHLUQPWSA-N 451.449 6.752 50 10 JKGE C[C@]1([C@@H](Cl)c2c(Br)sc(Br)c2Br)COCCO1 2021894704 BCDURBFTUVRNJP-OIBJUYFYSA-N 469.420 5.121 50 10 JKGE Brc1cscc1[C@@H](Br)c1cc(Br)c2c(c1)CCO2 2030023783 YJNIVDIVJHDODY-LBPRGKRZSA-N 452.993 5.692 50 10 JKGE BrCc1ccc(N2CC[C@H]3CN(Cc4ccccc4)C[C@@H]3C2)c(Br)c1 2049666171 ZFIWTQBRIUUFFQ-RBUKOAKNSA-N 464.245 5.302 50 10 JKGE Cc1cc(C)c(C)c([C@H](Br)c2cc(Br)c(Br)s2)c1 2082914022 IWPSJWWKSDFFDV-ZDUSSCGKSA-N 453.037 6.683 50 10 JKGE Cc1scc([C@H](Br)c2ccc(Br)c(C)c2Br)c1C 2083318071 MLPYZHOWRONXNW-CQSZACIVSA-N 453.037 6.683 50 10 JKGE CCOc1ccc(CC/C(O)=C(\C#N)c2nc(-c3cc(OC)ccc3OC)cs2)cc1OC 2084289632 TWHZXFSYQMAWRR-VZCXRCSSSA-N 466.559 5.660 50 10 JKGE Cn1nc([C@H](Br)c2scc(C(F)(F)F)c2Br)cc1Br 2094081025 XTAXQLDGHAMXKW-QMMMGPOBSA-N 482.945 5.510 50 10 JKGE Fc1cc2c(cc1I)nc(CCCl)n2[C@@H]1CC[C@H]1OCc1ccccc1 2100138392 NUGYCZWQUCTNCJ-IEBWSBKVSA-N 484.740 5.482 50 10 JKGE CC(C)(C)CN(Cc1ccccc1)S(=O)(=O)c1cc(Cl)cc(CBr)c1Cl 2123269154 PSAYHAJKOLVCGT-UHFFFAOYSA-N 479.267 6.125 50 10 JKGE BrCc1cc(Br)cc(Br)c1OC[C@@H]1C[C@@H]1C1CCC1 2135249835 XRAMUJNRJVBIPG-WCQYABFASA-N 453.012 5.922 50 10 JKGE COc1ccc([C@H](Cl)c2csc(Br)c2Br)c(Cl)c1Cl 2138627809 MIXYLINFADWQCT-VIFPVBQESA-N 465.421 6.917 50 10 JKGE COCC12CC([C@@H](Cl)c3c(Br)sc(Br)c3Br)(CO1)C2 2141164586 MRYSRGYRZZFJCN-RKWZHAFESA-N 495.458 5.511 50 10 JKGE Clc1ccc([C@H](Br)c2cc(Br)c3c(c2)CCO3)c(Br)c1 2146627379 JQODDEXXGMDNCB-CQSZACIVSA-N 481.409 6.284 50 10 JKGE Clc1cccc(Br)c1[C@H](Br)c1csc2c(Br)cccc12 2169464300 PSUTXWQDQOHYOV-CQSZACIVSA-N 495.461 7.564 50 10 JKGE Cc1cc(Br)c(CCl)c(N2CCCN(Cc3ccccc3)CC(F)(F)C2)c1 2173441676 QZUIWANJXKUCOM-UHFFFAOYSA-N 457.790 5.844 50 10 JKGE CC(C)(C)OC(=O)NCC(F)(F)[C@H]1CCCCN1CC1(CBr)CCCCC1 2185161548 IPUXYXPXOWXVMQ-MRXNPFEDSA-N 453.412 5.346 50 10 JKGE CCc1nn(C)c([C@H](Br)c2cc(Br)c(Cl)cc2F)c1Br 2192383880 CDUPYSYAJHCEKZ-LLVKDONJSA-N 489.408 5.784 50 10 JKGE FC(F)(F)c1ccccc1[C@H](Br)c1ccc(Br)cc1Br 2203688952 WSDHVQKLAYNQJH-ZDUSSCGKSA-N 472.924 6.715 50 10 JKGE COc1cc(F)c(F)cc1[C@@H](Br)c1cc(Br)cc(Br)c1 2204493281 CJOFGACVLHJEDZ-AWEZNQCLSA-N 470.933 5.983 50 10 JKGE CC1(C)OC[C@H](c2sc(Br)c(Br)c2Br)[C@H]1Cl 2212288495 FQPDVZPEEHFRBS-SPGJFGJESA-N 453.421 5.535 50 10 JKGE Fc1cc(Br)c(Br)cc1[C@H](Cl)c1nscc1Br 2213491361 DHCXOSGPTRGBNU-VIFPVBQESA-N 464.379 5.898 50 10 JKGE Cc1sc(Br)c(C)c1[C@H](Cl)c1scc(Br)c1Br 2213645332 PPOWSCFKZVOUHE-VIFPVBQESA-N 479.484 7.042 50 10 JKGE Brc1cc([C@H](Br)[C@@H]2C[C@H]3CCC[C@H](C3)C2)sc1Br 2218351300 OKAQSPDAOTZCGC-KEPMVKOISA-N 457.069 6.926 50 10 JKGE Cc1c(Br)sc([C@@H](Br)c2cc(Br)ccc2Cl)c1C 2218789205 GWULEDNEBAWYAJ-NSHDSACASA-N 473.455 7.028 50 10 JKGE Cc1cc(Br)c([C@H](Br)c2cnn(C)c2Br)c(C)c1Cl 2224324442 VJDMJJULYZDFLK-LLVKDONJSA-N 471.418 5.700 50 10 JKGE CCc1ccccc1[C@@H](Br)c1cc(Br)c(Br)cc1F 2225617893 WHTBDAGYXKQTDT-OAHLLOKOSA-N 450.971 6.397 50 10 JKGE CCn1ncc(Br)c1[C@H](Cl)c1cc(Br)c(Br)cc1F 2225636023 ZAGSVXKXRNFJQO-LLVKDONJSA-N 475.381 5.658 50 10 JKGE COc1cc(C)c(Br)cc1[C@@H](Br)c1cc(Br)c(C)s1 2226082198 MGCXMZAFLIKPNO-CQSZACIVSA-N 469.036 6.383 50 10 JKGE Cc1cc(Br)c([C@@H](Cl)c2ccc(OCc3ccccc3)cc2)c(C)c1Br 2227350513 HYZUWZOSCJNBSA-QFIPXVFZSA-N 494.654 7.736 50 10 JKGE Cc1cc(Br)c([C@H](Br)[C@@H]2CCCC2(F)F)c(C)c1Br 2227354225 WJABVCWIOPWFNF-TVQRCGJNSA-N 460.982 6.700 50 10 JKGE Fc1ccc([C@@H](Br)Cc2ccc(Br)cc2Cl)cc1Br 2229153793 OYADZABKUPFYPZ-NSHDSACASA-N 471.389 6.683 50 10 JKGE Fc1cccc(Br)c1[C@H](Cl)c1c(Br)cc(Cl)c(Cl)c1Cl 2232513522 RBPSGVZXQXZOTD-LBPRGKRZSA-N 481.801 7.639 50 10 JKGE Fc1cc(Br)c(Br)cc1[C@@H](Br)c1ccc2nsnc2c1 2233981304 GWJNJDVOTANSMG-ZDUSSCGKSA-N 480.982 5.840 50 10 JKGE Cc1c(Br)sc([C@@H](Br)c2cocc2Br)c1Br 2244215342 CEMXHVFZBCYENS-QMMMGPOBSA-N 493.840 6.421 50 10 JKGE Clc1ccc([C@H](Cl)c2c(Cl)sc(Cl)c2Cl)cc1I 2256339445 SKZYKBSGWNQMAL-QMMMGPOBSA-N 472.389 7.295 50 10 JKGE Fc1cc(Cl)c([C@@H](Br)c2cc(Cl)c(Br)s2)cc1Br 2258105582 IUSUFDGELKALMC-SNVBAGLBSA-N 497.836 7.203 50 10 JKGE CC1([C@@H](Br)c2cc(Br)ccc2Br)CC(C(F)(F)F)C1 2264516498 ASLXVCVXDCOBPP-ABKVURRNSA-N 464.945 6.626 50 10 JKGE CO[C@@H]1CC[C@H]1C[C@@H](Br)c1c(F)cc(Br)c(F)c1Br 2272730063 UFWOWKNQASVAAW-NYNCVSEMSA-N 462.954 5.741 50 10 JKGE CC1(C)CC[C@H]([C@@H](Br)c2c(F)cc(Br)c(F)c2Br)C1 2272856046 RDCOLDPBUPZCFR-WRWORJQWSA-N 460.982 6.752 50 10 JKGE COc1cc(Cl)c(Cl)cc1[C@H](Cl)c1ccc(Cl)c(I)c1 2283585136 TYNCVNWTYYNZFT-CQSZACIVSA-N 461.941 6.588 50 10 JKGE CC(C=NNC(=O)CSc1nnc(SCc2cccc3ccccc23)s1)=Cc1ccco1 2293749573 NZANXQRLMNRKSL-UHFFFAOYSA-N 480.640 5.874 50 10 JKGE Cc1ccc(C[C@H]2SC(=C(C#N)C(=O)Nc3ccc(F)cc3)N(c3ccccc3)C2=O)cc1 2296507168 WSGBLUHFRIPAQA-HSZRJFAPSA-N 457.530 5.199 50 10 JKGE CCOc1ccc(C=C(C#N)c2nc(-c3cc4cc(Br)ccc4oc3=O)cs2)cc1 2297213684 CKBXYGHQOAQQHH-UHFFFAOYSA-N 479.355 6.142 50 10 JKGE N#CC(=Cc1cn(CC(=O)NCc2ccco2)c2ccccc12)C(=O)Nc1ccc2ccccc2c1 2297552081 WUTHGDPTQANZCV-UHFFFAOYSA-N 474.520 5.250 50 10 JKGE O=[N+]([O-])c1ccc(NN=Cc2ccccc2OP(=O)(c2ccccc2)c2ccccc2)cc1 2297672447 NHGGHPXCPAMTJK-UHFFFAOYSA-N 457.426 5.349 50 10 JKGE CO[C@@H]1CC[C@H]1C[C@@H](Br)c1ccc(OCc2ccccc2)cc1Br 2299499392 XRSNYCGKRQLXJH-QKYXUNIQSA-N 454.202 6.279 50 10 JKGE CC(C)(C)[C@@H]1C[C@@H]1[C@@H](Br)c1cc(Br)ccc1OCc1ccccc1 2299502003 SQXYQDQTGWIVCE-ILZDJORESA-N 452.230 7.146 50 10 JKGE Brc1ccc(OCc2ccccc2)c([C@@H](Br)[C@H]2[C@H]3CCCC[C@H]32)c1 2299535611 RATHXYRKGINITF-HRQSHJORSA-N 450.214 6.900 50 10 JKGE N#CC(=Cc1ccccc1OCc1ccccc1Cl)C(=O)Nc1ccc(Cl)c(Cl)c1 2313631394 PONGCFLOSIRSBG-UHFFFAOYSA-N 457.744 6.771 50 10 JKGE CCOc1cc(C=C(C#N)C(=O)NCc2ccccc2)ccc1OCc1ccc(Cl)c(Cl)c1 2313681239 WZLYIMXZDZBDJO-UHFFFAOYSA-N 481.379 6.194 50 10 JKGE C[C@@H]1O[C@H](C)[C@H]([C@@H](Br)c2ccc(OCc3ccccc3)cc2Br)[C@H]1C 2314447871 CHWNUJMGLIYRMQ-SPYXRDKXSA-N 468.229 6.524 50 10 JKGE Cc1ccc(-c2ccc(C=C(C#N)C(=O)Nc3ccc(Cl)c(C(F)(F)F)c3)o2)c([N+](=O)[O-])c1 2314488248 MTBAZDSDECMXJD-UHFFFAOYSA-N 475.810 6.381 50 10 JKGE Cc1cccn2c(=O)c(C=C(C#N)C(=O)Nc3ccccc3Cl)c(Oc3ccccc3F)nc12 2314534111 YTFMVJVLMNBLGM-UHFFFAOYSA-N 474.879 5.133 50 10 JKGE Fc1c(Br)cc(Cl)c([C@@H](Cl)c2ccsc2Cl)c1Br 2315445457 MSNMULPYKXVVLM-VIFPVBQESA-N 453.385 7.047 50 10 JKGE CCOc1cc(C=NNC(=O)Cc2cc(Cl)ccc2SCC)cc(Cl)c1OCC 2318417943 KYIAKISXCPGMJH-UHFFFAOYSA-N 455.407 5.596 50 10 JKGE C[C@@H](c1ccncc1F)[C@H](Br)c1scc(Br)c1Br 2321455953 OVMRRZJZSOGRKS-WKEGUHRASA-N 457.988 6.047 50 10 JKGE CCCC1CC(CBr)(Cc2ccc(I)c(Br)c2)C1 2325220199 GIXDECFCFVTQBG-UHFFFAOYSA-N 486.029 6.188 50 10 JKGE CC[C@H](C)N1C(=O)c2ccc(C(O)=C(C#N)c3nc(-c4ccc(Cl)cc4Cl)cs3)cc2C1=O 2331251454 UJAXMIMRJPYVPA-LBPRGKRZSA-N 498.391 6.461 50 10 JKGE N#CC(=C(O)C=Cc1cccc([N+](=O)[O-])c1)c1nc(-c2cccc(Br)c2)cs1 2331279418 WYRQOYBHHDOCOG-UHFFFAOYSA-N 454.305 5.987 50 10 JKGE CC[C@@H](C)[C@H](C(O)=C(C#N)c1nc(-c2ccc3c(c2)OCO3)cs1)N1C(=O)c2ccccc2C1=O 2331334864 QJOKYFZJCBZVGG-JLCFBVMHSA-N 487.537 5.042 50 10 JKGE COc1cc(C=C(C#N)c2nc(-c3ccc(Cl)cc3)cs2)ccc1OCCCc1ccccc1 2331439967 JYOMBYKSDNGELZ-UHFFFAOYSA-N 487.024 7.548 50 10 JKGE CCc1nn(C)c([C@H](Cl)c2cc(Br)ccc2OCc2ccccc2)c1Cl 2336044193 LURUPLVNOVTNFV-GOSISDBHSA-N 454.195 6.306 50 10 JKGE Cc1cc2sc([C@H](Cl)c3cc(Br)ccc3OCc3ccccc3)cc2s1 2336058076 XSPFSVZVAWIJOG-OAQYLSRUSA-N 463.849 7.941 50 10 JKGE CCc1ccc([C@@H](Br)c2c(Cl)cc(Br)c(F)c2Br)s1 2337092693 UWMKVNOVNFPYTL-LLVKDONJSA-N 491.445 7.112 50 10 JKGE CC12CC([C@H](Br)c3c(Cl)cc(Br)c(F)c3Br)(CO1)C2 2337093423 DXTDNSGSMAUEMB-PNESKVBLSA-N 477.393 6.009 50 10 JKGE CO[C@]1(C(F)(F)F)C[C@H]([C@@H](Br)c2sc(Cl)cc2I)C1 2338768092 MXWWVVMXDZUNNJ-RHFNHBFPSA-N 489.522 5.800 50 10 JKGE Cc1cc(Br)c(F)c(Br)c1[C@H](Br)[C@@H]1C[C@@H]1[C@H]1C[C@@H]1C 2339651609 QWHAXMLQKWWBFY-LHNHDZCFSA-N 455.003 6.387 50 10 JKGE C[C@H](Cl)CN(Cc1ccc(I)c(Br)c1)C1CCCC1 2349830573 QQUAUFGMDFASJK-NSHDSACASA-N 456.593 5.426 50 10 JKGE Brc1cc(CN2CC[C@H]3CC[C@@H](Br)[C@H]2C3)ccc1I 2349833158 WFPGNMUGAYWAQF-IXPVHAAZSA-N 499.028 5.192 50 10 JKGE CCC[C@@H]1CN(Cc2cc(I)ccc2Cl)C[C@@H]1CBr 2352432900 ZGCQQSHMYQSLSV-YPMHNXCESA-N 456.593 5.188 50 10 JKGE FC(F)(F)[C@H]1OC2([C@@H](Cl)c3ccc(OCc4ccccc4)cc3Br)CC1C2 2361171454 AQHGIYPUWPYDDR-BHJVWRQASA-N 461.705 6.418 50 10 JKGE C[C@@H]1CCC[C@]12[C@H](Br)C[C@H]2OCc1cc(Br)cc(Br)c1 2362239196 LCTYYZICFDQCGI-HMTTWLPMSA-N 467.039 6.070 50 10 JKGE Fc1cccc(C[C@H](CBr)Cc2ccc(Cl)c(I)c2)c1 2362374585 AICFUOKOIQBJCJ-ZDUSSCGKSA-N 467.547 5.880 50 10 JKGE COc1c(Br)cc(C)c([C@H](Br)[C@@H]2C[C@@H]3C[C@@H]3CO2)c1Br 2365190960 JYJVIRXAPGAMEW-IZWKTGJZSA-N 469.011 5.390 50 10 JKGE Clc1cc(Cl)cc(CC[C@H](Br)c2cc(Br)ccc2Cl)c1 2366887871 GWMVOYDADHDRPO-AWEZNQCLSA-N 457.420 7.478 50 10 JKGE COc1ccc(NS(=O)(=O)c2ccc(C)cc2)cc1CP(=O)(c1ccccc1)c1ccccc1 2797271 KMPIMVHMHUASGO-UHFFFAOYSA-N 491.549 5.319 50 10 JKGE Cc1ccc(NC(=O)/C(C#N)=C\c2ccc(OCc3ccccc3F)c(Br)c2)c(C)c1 6796033 MZEMCCCCSDFROM-NDENLUEZSA-N 479.349 6.330 50 10 JKGE CCCCCCOc1ccc(C(=O)NNC(=O)c2cc(Br)ccc2OCCC)cc1 14652829 PXTVJFGOPIPJIX-UHFFFAOYSA-N 477.399 5.272 50 10 JKGE Cc1cccc(COc2ccccc2/C=C(C#N)/C(O)=N/c2nc(-c3ccccc3)cs2)c1 20408107 KSHWUAMDMRVDOX-HZHRSRAPSA-N 451.551 6.893 50 10 JKGE CC(C)(C)c1ccc(C(=O)N/N=C/c2cc(Cl)ccc2OCc2c(F)cccc2Cl)cc1 20468046 WAZZWGGGNPOJDF-IPPBACCNSA-N 473.375 6.773 50 10 JKGE CCCC/C(=N/NC(=O)c1ccc(NC(=O)c2ccc(C(C)(C)C)cc2)cc1)c1ccccc1 33489326 UOKNDXCKIRJMJY-ZXPTYKNPSA-N 455.602 6.561 50 10 JKGE CN(C)c1ccc(N2C(=O)CS[C@@H]2c2ccc(NC(=O)[C@H](Cl)c3ccccc3)cc2)cc1 35928459 SPYLDYILZJGUQQ-ILBGXUMGSA-N 466.006 5.450 50 10 JKGE N#CC1=C(N)Oc2cc(OC(=O)Cc3ccc(Cl)cc3)ccc2[C@@H]1c1cccc(Cl)c1 38651262 AIAIPSKEEQUVIG-QHCPKHFHSA-N 451.309 5.360 50 10 JKGE C=CCOc1cccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)COc4c(C)cccc4C)ccc32)c1 38684557 SHPKMCMCUYHIJP-MHZLTWQESA-N 482.536 5.071 50 10 JKGE COc1ccc(NC(=O)c2oc3c(c2C)/C(=N/NC(=O)c2ccc(Cl)cc2Cl)CCC3)cc1 40813733 HAQQQWJGYBMPRQ-TURZUDJPSA-N 486.355 5.626 50 10 JKGE CCOc1ccc([C@@H](O)CCC(=O)N/N=C\c2ccccc2OCc2ccc(Cl)cc2)cc1 58895434 RURXUDGENSYVET-VNIQIGACSA-N 466.965 5.282 50 10 JKGE COc1c(C)cccc1C(=O)N/N=C1/C(=O)N(C(c2ccccc2)c2ccccc2)c2ccccc21 59159034 FMWTTYQSWPZVBI-GKPLWNPISA-N 475.548 5.274 50 10 JKGE CCOc1c(Cl)cc(/C=N/NC(=O)c2ccc(-n3c(C)ccc3-c3ccccc3)cc2)cc1OC 59304182 MUWLWAGYAVNQEI-UXHLAJHPSA-N 487.987 6.277 50 10 JKGE Fc1cc(Br)ccc1[C@@H](Br)c1cc(Cl)c(Br)cc1F 97895890 FCQSURVKMFNLMZ-CYBMUJFWSA-N 475.352 6.628 50 10 JKGE CC(C)OC(=O)c1ccc(NC(=O)[C@@H](Br)[C@@H](Br)c2ccccc2)cc1 101051520 JUZNUSOWWHFHPJ-IRXDYDNUSA-N 469.173 5.090 50 10 JKGE C=CCN1C(=O)C(C#N)=C(C)/C(=C\c2cn(-c3ccccc3)nc2C23CC4CC(CC(C4)C2)C3)C1=O 101230966 UDHZVUBVISVJKL-DHRITJCHSA-N 478.596 5.118 50 10 JKGE CCCCCCCCOc1ccc(/C=C2/C(=O)N([C@@H](C)CC)C(=O)C(C#N)=C2C)cc1OC 101334546 GINMTCLIUQVUJZ-QZMYASAMSA-N 452.595 5.825 50 10 JKGE N#C/C(=C(\O)c1ccccc1C(=O)c1ccccc1)c1nc2cc(C(F)(F)F)ccc2s1 110562577 VAPQTVSMIHNUOR-RELWKKBWSA-N 450.441 6.496 50 10 JKGE COC(=O)CC[C@H](C)[C@H]1CC[C@H]2[C@@H]3CC=C4C[C@H]5CC[C@]4(C)[C@@]3(O5)C(=O)[C@H](Br)[C@@]21C 118919474 ZOLSFJBCIQJBLX-GLXFMLJRSA-N 479.455 5.229 50 10 JKGE Cc1cc(Br)c([C@H](Br)c2ccc(C(F)(F)F)cc2)cc1Br 128729415 CCIFDZVZVVIGSL-CQSZACIVSA-N 486.951 7.023 50 10 JKGE Cc1ccc([C@H](Cl)c2cc(Br)c(C)cc2Br)cc1Br 130499382 ONLODYBKQXVPKB-HNNXBMFYSA-N 467.426 6.919 50 10 JKGE Fc1cccc(Br)c1[C@H](Br)c1cc(Br)cc2c1OCC2 161228269 AUGOPAFOUPETHO-CQSZACIVSA-N 464.954 5.770 50 10 JKGE Cc1cccc([C@@H](Br)c2cc(Br)sc2Br)c1Cl 163005327 SEQINVWKFSSLLQ-SNVBAGLBSA-N 459.428 6.719 50 10 JKGE COc1ccc(/C=C\C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@H]3c2ccc(SC)cc2)cc1 205655447 KDWAQFHPNALZEA-YYOFQBFWSA-N 470.550 5.254 50 10 JKGE CCCCNC(=O)/C(C#N)=C/c1ccc(OC(=O)/C=C\c2ccccc2OCCCC)c(OC)c1 207150413 VTBNUJBWGYTEPR-CUDXPIBDSA-N 476.573 5.316 50 10 JKGE CC[C@@H](C)N1C(=O)C(C#N)=C(C)/C(=C/c2cn(-c3ccccc3)nc2-c2cc(C)ccc2C)C1=O 214256008 LMFUUZCTWFAWKC-UQEONJGVSA-N 464.569 5.547 50 10 JKGE Cc1cc([C@@H](Br)c2cc(Br)c(Br)s2)sc1Cl 226693648 VFDLGRSKYZUPSK-MRVPVSSYSA-N 465.457 6.781 50 10 JKGE COc1cc(Cl)c([C@@H](Br)c2cc(Cl)cc(Br)c2)cc1Cl 235018605 YEHNQEIRBLQVCI-AWEZNQCLSA-N 459.392 6.902 50 10 JKGE O=C(Cc1c[nH]c2ccccc12)NN=Cc1cc(Br)ccc1OCc1ccc(F)cc1 252632041 VOYDRFOYNLIOBQ-UHFFFAOYSA-N 480.337 5.341 50 10 JKGE COC(=O)c1ccc([C@@H]2Nc3ccc(C(C)=NNC(=O)c4ccccc4O)cc3[C@H]3C=CC[C@H]32)cc1 254448554 IKEZOTBPZRETAX-XXAUWVGASA-N 481.552 5.159 50 10 JKGE Cc1ccc(S(=O)(=O)Nc2ccc(C(=O)NN=Cc3cccc(Oc4ccccc4)c3)cc2)cc1 254529330 YIINHBKKCJXAPS-UHFFFAOYSA-N 485.565 5.352 50 10 JKGE 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 257418115 FPFAZZFTBDKRJL-JCZKGKJASA-N 496.688 6.212 50 10 JKGE biogenic N#C/C(=C1/CCCN(C(=O)OCc2ccccc2)C1)c1ccc(I)cc1 309731941 SGTLDBRERYYJFE-CZIZESTLSA-N 458.299 5.001 50 10 JKGE CCOc1cc(Cl)c([C@H](Br)c2cnn(C)c2I)cc1Cl 381734718 AGVAENVDWIWGFC-LBPRGKRZSA-N 489.966 5.215 50 10 JKGE C[C@H]1CC(COc2c(Br)cc(Br)cc2CBr)C[C@H](C)O1 724410856 LFWTVYYDGREROK-UWVGGRQHSA-N 471.027 5.689 50 10 JKGE O=C(Cc1cccc2ccccc12)NN=Cc1ccccc1OCc1ccc(Br)cc1 1083997865 ZNIZOODWHWDZEI-UHFFFAOYSA-N 473.370 5.874 50 10 JKGE C=CCc1cc(/C=C(\C#N)C(=O)Nc2ccc(C)cc2)ccc1OCc1cccc([N+](=O)[O-])c1 1084122073 ZLUQFEYAGMZVDY-HZHRSRAPSA-N 453.498 5.756 50 10 JKGE CCOc1cc(/C=C(/C#N)C(=O)Nc2ccc(Cl)c(Cl)c2)ccc1OCc1cccc(C)c1 1084165589 HCQGLQFQAOFVDL-NDENLUEZSA-N 481.379 6.825 50 10 JKGE COc1ccc(C(=O)NN=C(C)C(c2ccccc2)c2ccccc2)cc1I 1084322919 OPLOBRBPIYMTNE-UHFFFAOYSA-N 484.337 5.238 50 10 JKGE COc1cc(C=NNC(=O)CSc2ccccc2)cc(Br)c1OCc1ccccc1 1084565336 MGJUPMFTCSHABA-UHFFFAOYSA-N 485.403 5.279 50 10 JKGE Cc1cc(C)c(C=NNC(=O)CCCCCCCC(=O)NN=Cc2c(C)cc(C)cc2C)c(C)c1 1565517894 ZKLFBAFIYVFWDI-UHFFFAOYSA-N 476.665 5.868 50 10 JKGE O=C(OCc1ccccc1)N1C[C@@H](CBr)[C@H](c2ccc(Br)cc2[N+](=O)[O-])C1 1614692509 KKAMGTOPMXIFJD-RHSMWYFYSA-N 498.171 5.104 50 10 JKGE C=CCN1C(=O)/C(=C/c2ccccc2)SC1=NNC(=O)COc1cc(Cl)c(Cl)cc1Cl 1772718929 WRMDKWFLSKWFRC-MGABNQCWSA-N 496.803 5.215 50 10 JKGE CCc1cc(Br)ccc1OCC(=O)NN=Cc1ccc(OCc2ccccc2)c(OC)c1 1772756019 XPQAACOMMUNOAG-UHFFFAOYSA-N 497.389 5.128 50 10 JKGE N#CC1=C(N)Oc2c(c(C(F)(F)F)nn2Cc2cccc(F)c2)[C@@H]1c1ccc(Cl)cc1Cl 1865685335 HDPMJOYYVGTTIQ-MRXNPFEDSA-N 483.252 5.614 50 10 JKGE CCCCOc1ccc([C@@H]2C(C#N)=C(N)Oc3c2c(C)nn3-c2cccc(Cl)c2)cc1OCC 1865687067 IPJBLUYSDMAIOE-XMMPIXPASA-N 478.980 5.630 50 10 JKGE CCCc1nn(-c2ccccc2Cl)c2c1[C@@H](c1ccc(OCC)c(OCC)c1)C(C#N)=C(N)O2 1865688849 CJPGFNPMEMEWDM-QHCPKHFHSA-N 478.980 5.494 50 10 JKGE CCCc1nn(C)c2c1[C@@H](c1c(OCc3ccccc3)ccc3ccccc13)C(C#N)=C(N)O2 1865703578 BSOPUMAIJBHWNS-RUZDIDTESA-N 450.542 5.323 50 10 JKGE COc1cccc([C@H]2C(C#N)=C(N)Oc3c2c(-c2ccccc2)nn3-c2cccc3ccccc23)c1 1865711745 HFTKEDQHLVCIQZ-SANMLTNESA-N 470.532 5.919 50 10 JKGE N#CSc1ccc(NC(=O)CN2C(=O)c3c(Cl)c(Cl)c(Cl)c(Cl)c3C2=O)cc1 1865891001 OTJDWTKNGJHYLL-UHFFFAOYSA-N 475.140 5.108 50 10 JKGE CCCC[C@H](NC(=O)C[C@@H](c1ccc(F)c(C)c1)C(C)C)C(=O)Nc1ccc(SC#N)cc1 1866765655 JZOWJEFQQKLIEA-VWNXMTODSA-N 469.626 6.151 50 10 JKGE CCC[C@@H](NC(=O)[C@H](C)c1ccc(Br)cc1)C(=O)Nc1ccc(SC#N)cc1 1866946027 KHPUGZXMEAWGQP-AUUYWEPGSA-N 460.397 5.049 50 10 JKGE CC(C)(C)c1nc(Nc2ccc(SC#N)cc2)cc(N2[C@@H](Cc3ccccc3)COCC2(C)C)n1 1868342610 XTBHXJNGPGPBMG-QFIPXVFZSA-N 487.673 6.317 50 10 JKGE COc1cccc(-c2nc(Nc3ccc(SC#N)cc3)cc(N3CCO[C@@H](c4ccncc4)C3)n2)c1 1868505932 NUXLORNXSYIZOU-XMMPIXPASA-N 496.596 5.442 50 10 JKGE CC1(C)CN(c2cc(Nc3ccc(SC#N)cc3)nc(-c3cccnc3)n2)c2ccccc21 1868564499 BVFIXNGWQXUVHL-UHFFFAOYSA-N 450.571 6.285 50 10 JKGE CC(C)N1C(=O)c2ccc(/C(O)=C(\C#N)c3nc(-c4ccc(Cl)c(Cl)c4)cs3)cc2C1=O 1872748745 MDYBMDFOGICBIV-SILNSSARSA-N 484.364 6.071 50 10 JKGE CCOC(=O)c1ccc(N2C[C@@H](/C(O)=C(\C#N)c3nc(-c4cc(C)ccc4C)cs3)CC2=O)cc1 1872749769 HWFMZJBLXONSCZ-NWIBBQCFSA-N 487.581 5.449 50 10 JKGE CCc1ccc(OCCC/C(O)=C(\C#N)c2nc(-c3cc(Cl)c(OC)c(Cl)c3)cs2)cc1 1872755695 AJMFVSITWIGQPO-PYCFMQQDSA-N 489.424 7.340 50 10 JKGE COc1c(C)cc(Cl)cc1-c1csc(/C(C#N)=C(\O)c2ccc(N3CCCC3)c([N+](=O)[O-])c2)n1 1872756968 KOHHKORZRWDMIS-PYCFMQQDSA-N 496.976 6.239 50 10 JKGE CCOc1ccc(CC/C(O)=C(\C#N)c2nc(-c3ccc(OC)c(OC)c3OC)cs2)cc1OC 1872759019 AZGPSKZPIREBJP-ZZEZOPTASA-N 496.585 5.669 50 10 JKGE BrCCCCCOCc1ccc(I)c(Br)c1 1904372809 WPYAVTUQYNWAJI-UHFFFAOYSA-N 461.963 5.136 50 10 JKGE Clc1sc([C@@H](Cl)c2cc(I)sn2)cc1Br 1909888832 IFOWJEFFQHITMQ-ZETCQYMHSA-N 454.967 5.553 50 10 JKGE Fc1ccc(Br)c(F)c1CN(Cc1ccccc1)C1(CBr)CCC1 1915741269 LLZWHIFQVGTJRK-UHFFFAOYSA-N 459.172 6.047 50 10 JKGE CC(C)(CBr)N(Cc1ccccc1)C(=O)c1ccccc1OCc1ccccc1 1915765089 CFSHPAGPWCJLNC-UHFFFAOYSA-N 452.392 6.082 50 10 JKGE FC(F)(F)c1cc([C@H](Br)c2sc(Br)cc2Br)cs1 1922882474 MMMZUCAHFUCRCJ-QMMMGPOBSA-N 484.982 6.838 50 10 JKGE COc1cc(OC)cc([C@H](Br)c2sc(Br)cc2Br)c1 1922955148 WTCYGWZVJPSSFU-LBPRGKRZSA-N 471.008 5.775 50 10 JKGE Clc1c(Br)sc(Br)c1[C@H](Br)[C@H]1CCCC2(CC2)C1 1923037813 FVXVSFKPVLNZMK-IONNQARKSA-N 477.487 7.333 50 10 JKGE C[C@@H](c1ccncc1Br)[C@H](Br)c1sccc1I 1924022228 OBFYJPTZNYUDAS-CPCISQLKSA-N 486.998 5.750 50 10 JKGE CC(C)c1ccccc1[C@H](Cl)c1c(Br)sc(Br)c1Br 1924614169 MXGXXGYXGOQIRZ-LBPRGKRZSA-N 487.482 7.487 50 10 JKGE CS(=O)(=O)c1cccc([C@@H](Br)c2c(Cl)sc(Br)c2Cl)c1 1925597744 GQRILCUKUQUJJS-SECBINFHSA-N 479.042 5.705 50 10 JKGE Cn1cc([C@@H](Br)c2c(Cl)sc(Br)c2Cl)nc1Br 1925623811 VOUIYHBERPUDIW-RXMQYKEDSA-N 483.838 5.798 50 10 JKGE C[C@H]1COc2ccc([C@@H](Br)c3cc(Cl)ccc3I)cc21 1925756910 PXJDCSVTXRUIKR-XXFAHNHDSA-N 463.540 5.925 50 10 JKGE Cc1sc(Br)cc1[C@@H](Br)Cc1ccccc1I 1940446058 WBSVGZQNEPPASD-NSHDSACASA-N 486.010 6.102 50 10 JKGE CC(C)(C)OC(=O)NCCCN(Cc1ccccc1)CC1(CBr)CCCCC1 1955953253 PYWCSGBFGVKSQF-UHFFFAOYSA-N 453.465 5.749 50 10 JKGE Brc1ccc(C[C@H](Br)c2cc(I)sn2)cc1 1983286913 VTZZSTOYZBFTIT-VIFPVBQESA-N 472.971 5.189 50 10 JKGE CC(C)(CCF)[C@H](Cl)c1c(Br)sc(Br)c1Br 1989220997 WHHUUBDNVPFJFA-SSDOTTSWSA-N 457.428 6.701 50 10 JKGE FC(F)(F)CCC[C@H](Cl)c1c(Br)sc(Br)c1Br 2022696717 AAIZSTIDGGAUCX-BYPYZUCNSA-N 479.381 7.048 50 10 JKGE CC(C)(C)[C@@H](CBr)CNC(=O)c1csc(Br)c1Br 2032958686 JXDGUQTWDPDIIS-ZETCQYMHSA-N 462.045 5.060 50 10 JKGE O=C(c1cc(Br)c(Br)s1)N1CC2(CC[C@@H]1CBr)CC2 2097880040 OSUQFNRPWZELRA-MRVPVSSYSA-N 472.040 5.053 50 10 JKGE COc1ccc([C@@H](Br)c2c(Cl)sc(Br)c2Cl)c(Cl)c1 2109670771 VZKSVLWUQACKMJ-SECBINFHSA-N 465.421 6.964 50 10 JKGE C[C@H](Cl)c1nc2cc(I)c(F)cc2n1CC1(Br)CC1 2111895592 FAUNRWILMBQFCJ-ZETCQYMHSA-N 457.512 5.007 50 10 JKGE Cc1cc(Br)c(C)c([C@H](Br)C23CC(C2)[C@H](C)O3)c1Br 2136383271 XIDQNUQBALZJFH-SWNPZRGKSA-N 453.012 5.832 50 10 JKGE Cc1c(Br)ccc([C@@H](Br)C(C)(C)[C@H]2CCCO2)c1Br 2138865083 QANKZFPSIOGWQR-TZMCWYRMSA-N 455.028 6.161 50 10 JKGE Cc1ccc(C[C@@H](Br)c2ccc(Br)cc2I)cc1C 2142278509 DMXSSJGDZVUEJE-OAHLLOKOSA-N 494.008 6.349 50 10 JKGE O=C(NC[C@@H]1CCCC[C@H](Br)C1)c1ccc(Br)cc1Br 2163745257 GNJJOCIKJHPZMG-MNOVXSKESA-N 468.027 5.285 50 10 JKGE Cc1nn(C)c([C@@H](Br)c2cc(Cl)c(Cl)c(Cl)c2Cl)c1Br 2192371850 BIBHTBPMWLXKKA-QMMMGPOBSA-N 481.830 6.589 50 10 JKGE COCc1cccc([C@H](Br)c2ccc(Br)c(C)c2Br)c1 2203687475 QFXYSKCKUOFYFU-INIZCTEOSA-N 463.007 6.151 50 10 JKGE COc1cc(F)c(Cl)cc1[C@@H](Br)c1cccc(C)c1I 2207364258 RSLBLPNCDHIOQH-AWEZNQCLSA-N 469.519 5.885 50 10 JKGE C[C@H](Br)C[C@H]1CCCCCN1Cc1ccc(I)c(Cl)c1 2208036289 MDFDTBCKOAMWPO-GXTWGEPZSA-N 470.620 5.863 50 10 JKGE Brc1sc([C@@H]2CC[C@H](Br)C2)c(Br)c1Br 2209972675 BBPVRRJAKQIOBE-UHNVWZDZSA-N 467.846 6.067 50 10 JKGE CCN1C[C@@H](Br)[C@@H](c2sc(Br)c(Br)c2Br)C1 2212201400 WUTRCNKSKRXAMS-NTSWFWBYSA-N 496.888 5.218 50 10 JKGE COC12CCC([C@@H](Br)c3cc(Br)sc3Br)(CC1)C2 2223621696 KOAIQSMDQXBOCU-PKSQDBQZSA-N 459.041 6.058 50 10 JKGE Cc1cc(Br)c([C@H](Br)c2c(Cl)cnn2C)c(C)c1Br 2227359732 LCOLJJPBVLWWSG-LBPRGKRZSA-N 471.418 5.700 50 10 JKGE Cc1sc([C@@H](Br)c2cc(Cl)c(Br)cc2F)c(Br)c1C 2229319779 KYZALZCIMOFNOD-LBPRGKRZSA-N 491.445 7.167 50 10 JKGE O=S1(=O)CCCC[C@H]1[C@H](Br)c1c(Br)cc(Cl)c(Cl)c1Cl 2232514294 UNYUYBLJPLDCBC-WPRPVWTQSA-N 485.452 5.813 50 10 JKGE COc1cc(C)c([C@H](Cl)c2cc(C)ccc2I)cc1Br 2241001083 MOPBXQAUARHPNX-INIZCTEOSA-N 465.556 6.007 50 10 JKGE COc1ccc([C@@H](Cl)c2nc(C)sc2Br)cc1I 2257364268 GUNPJWLQXNBNGL-SNVBAGLBSA-N 458.546 5.155 50 10 JKGE FC(F)(F)[C@@H]1C[C@@H]1[C@@H](Br)Cc1cc(Br)cc(Br)c1 2263524479 IBGFGZSNNIORIV-AXFHLTTASA-N 450.918 5.716 50 10 JKGE C[C@@H]1OC2([C@H](Br)c3c(F)cc(Br)c(F)c3Br)CC1C2 2272848178 SKAYTWKPQYTIGB-UPDSPZSASA-N 460.938 5.493 50 10 JKGE Cc1nn(C)c(Br)c1[C@@H](Br)c1cc2sc(Br)cc2s1 2278012346 PKZMQVMMYVOMEB-NSHDSACASA-N 485.064 6.014 50 10 JKGE Clc1c(Br)csc1[C@@H](Cl)c1cc(Br)c2c(c1)CCCO2 2279294980 XJVFVINHCRNZPR-NSHDSACASA-N 457.014 6.580 50 10 JKGE CO[C@H](COc1c(Br)cc(Br)cc1CBr)CC(C)(C)C 2287298099 POFDGRKFEVXDOB-LBPRGKRZSA-N 473.043 5.937 50 10 JKGE C[C@@H](c1ccccc1)[C@H](Br)c1c(F)cc(Br)c(F)c1Br 2288364138 RKCBLPHTFLMWQO-SDBXPKJASA-N 468.961 6.730 50 10 JKGE CCOC(=O)C(C#N)=Cc1cc(Br)c(OCCOc2ccc(C)c(C)c2)c(OCC)c1 2293993148 MYVLONSKZVLCHB-UHFFFAOYSA-N 488.378 5.393 50 10 JKGE CC(C)CCN(CCBr)C(=O)Cc1cc(Br)cc(Br)c1 2295307277 HOCXWUGCORTWQG-UHFFFAOYSA-N 470.043 5.024 50 10 JKGE N#CC(=Cc1cccc(OCc2c(Cl)cccc2Cl)c1)C(=O)Nc1ccccc1[N+](=O)[O-] 2295669974 SKJZXXSQFCFVDS-UHFFFAOYSA-N 468.296 6.026 50 10 JKGE COc1ccc(C=C(C#N)C(=O)Nc2ncc(Cc3ccc(Br)cc3)s2)cc1OC 2296818949 DIFLKRNUAWDZID-UHFFFAOYSA-N 484.375 5.059 50 10 JKGE CCOc1cc(C=C(C#N)C(=O)Nc2cccc(Cl)c2Cl)cc(Cl)c1OCC(=O)OC 2313570785 GGJHZFFQNYXWKO-UHFFFAOYSA-N 483.735 5.143 50 10 JKGE COc1cc(C=C(C#N)C(=O)Nc2cccc(Cl)c2)ccc1OCc1c(Cl)cccc1Cl 2313630897 HKADPQRNUNTLMF-UHFFFAOYSA-N 487.770 6.780 50 10 JKGE FC[C@]12C[C@]([C@@H](Br)c3cc(Br)ccc3OCc3ccccc3)(CO1)C2 2314443063 FLUYZLQCXSVDRM-UFYCRDLUSA-N 470.176 5.983 50 10 JKGE Brc1cc(OCc2ccccc2)ccc1[C@@H](Br)[C@H]1CC[C@@H]2C[C@H]1CO2 2314445193 QINLIDPZAJDSIU-HPNQWNLUSA-N 466.213 6.279 50 10 JKGE COc1cc(C=C2C(=O)N(CC(C)C)C(=O)C(C#N)=C2C)ccc1OCc1ccc(Cl)cc1 2314611454 UKMYUZJPASFSME-UHFFFAOYSA-N 464.949 5.176 50 10 JKGE CCOc1cc(C=C2C(=O)N(Cc3ccccc3Cl)C(=O)C(C#N)=C2C)ccc1OCC(C)C 2314619606 CHWCSRVXOSGWQD-UHFFFAOYSA-N 478.976 5.566 50 10 JKGE N#CC1=C(N)Oc2cc(OC(=O)C=Cc3ccc(Cl)cc3)ccc2[C@H]1c1cccc2ccccc12 2314634647 SONFDRNNUDOZCZ-MUUNZHRXSA-N 478.935 6.330 50 10 JKGE CCOC(=O)C(C#N)=Cc1cccc(OC(=O)COc2ccc(C(C)(C)c3ccccc3)cc2)c1 2314760363 MZSROWPMHIGZQH-UHFFFAOYSA-N 469.537 5.467 50 10 JKGE CO[C@@H]1CC[C@H]1[C@@H](Br)c1c(Cl)cc(Br)c(F)c1Br 2315445679 PQHPBMWGBZRIOU-DPKJLXEKSA-N 465.382 5.865 50 10 JKGE Brc1cc([C@@H](Br)[C@@H]2COC3(CCC3)CO2)c(Br)s1 2316791177 MDIBYFIAZPWELW-WCBMZHEXSA-N 461.013 5.047 50 10 JKGE CC(C)(C)OC(=O)N1CCC[C@@H](C(=O)NN=Cc2ccc(OCc3ccc(Cl)cc3)cc2)C1 2321721432 FRGMKZXCRUBRHR-HXUWFJFHSA-N 471.985 5.016 50 10 JKGE CC(C)COc1cccc(C(O)=C(C#N)c2nc(-c3cccc(Br)c3)cs2)c1 2331278668 ATDAAXJWDTVNHQ-UHFFFAOYSA-N 455.377 6.557 50 10 JKGE COc1ccc(C=C(C(O)=C(C#N)c2nc(-c3ccc([N+](=O)[O-])cc3)cs2)c2ccccc2)cc1 2331281184 QJBPPGQUDWQQDF-UHFFFAOYSA-N 481.533 6.760 50 10 JKGE CCOc1ccc(-c2csc(C(C#N)=C(O)[C@@H](C(C)C)N3C(=O)c4ccccc4C3=O)n2)cc1 2331305232 GFINDLKXGSUQKQ-JOCHJYFZSA-N 473.554 5.322 50 10 JKGE CSCC[C@@H](C(O)=C(C#N)c1nc(-c2cc(C)ccc2C)cs1)N1C(=O)c2ccccc2C1=O 2331320105 INEQAUZMLZZKNE-QFIPXVFZSA-N 489.622 5.638 50 10 JKGE COc1cc(C=CC(O)=C(C#N)c2nc(-c3ccc(C(C)(C)C)cc3)cs2)cc(OC)c1OC 2331331872 CQQAGYBQYALOGY-UHFFFAOYSA-N 476.598 6.639 50 10 JKGE CC(C)c1ccc(-c2csc(C(C#N)=C(O)[C@@H]3CC(=O)N([C@H](C)c4ccccc4)C3)n2)cc1 2331340823 STXQPLPMALNOBT-XMSQKQJNSA-N 457.599 6.336 50 10 JKGE N#CC(=C(O)c1ccccc1I)c1nc(-c2cc(Cl)ccc2Cl)cs1 2331405582 ZIAIBCLEORFDEQ-UHFFFAOYSA-N 499.160 6.671 50 10 JKGE Cc1c(Br)ccc([C@@H](Br)[C@@]23CCCC[C@@H]2CC3)c1Br 2334778556 OYWGDVCKRWBSNP-HFBAOOFYSA-N 451.040 6.926 50 10 JKGE C[C@@]1([C@@H](Br)c2c(Cl)cc(Br)c(F)c2Br)CCCCO1 2337106698 LKQFEKVWEXRMLP-STQMWFEESA-N 479.409 6.399 50 10 JKGE ClCc1cc(Br)ccc1OCc1ccc(Cl)c(I)c1 2337271711 ZQASGASKXLKBFC-UHFFFAOYSA-N 471.947 6.025 50 10 JKGE Brc1ccc(OCc2ccccc2)c([C@@H](Br)[C@@H]2C[C@H]3CCC[C@H]2CC3)c1 2338744986 SKEGGFGGMSNISN-RHQHVJKBSA-N 478.268 7.681 50 10 JKGE C[C@@H]1CCC[C@@]12[C@@H](Oc1cc(Br)cc(Br)c1)C[C@H]2Br 2338758756 SUWHKGIHBVXRCK-ZAOWEBSESA-N 453.012 5.933 50 10 JKGE CCC1(CC)[C@H](Br)C[C@H]1OCc1c(Br)cccc1Br 2340567028 AAUWSZCIUURBER-ZIAGYGMSSA-N 455.028 6.070 50 10 JKGE FC1(F)[C@@H]2CC[C@@H]([C@@H](Br)c3c(Br)cc(Cl)c(Cl)c3Cl)[C@@H]21 2358399095 QJXFKLAIOCJLHD-PENBWZAVSA-N 469.378 7.137 50 10 JKGE Brc1cc(OCc2ccccc2)ccc1[C@H](Br)[C@@H]1CC[C@H]2CCCC[C@@H]2C1 2361200038 GEKQIYOUIXDMCS-DBYOASNMSA-N 492.295 8.071 50 10 JKGE COc1cc(C)c([C@@H](Br)c2c(Br)nc(C)n2C)cc1Br 2362485000 APFZNKVBGJCSQW-GFCCVEGCSA-N 466.999 5.055 50 10 JKGE Cc1cc(Br)c(F)c(Br)c1[C@H](Br)[C@@]12CC[C@@H](C1)[C@@H](C)O2 2365194222 PEHPVYUSKMDANV-UTBFZLOTSA-N 471.002 6.053 50 10 JKGE Clc1ccc(CO[C@H]2C[C@@H](Br)C23CCCCC3)c(I)c1 2365648775 YCIRKAJBUMYXBG-CABCVRRESA-N 469.588 5.948 50 10 JKGE Cl[C@@H](CCc1ccc(I)c(Br)c1)CN1CCCCCC1 2377340119 OJYWXRAYTRQBIL-AWEZNQCLSA-N 470.620 5.470 50 10 JKGE F[C@]12CCC[C@@]1(CBr)CN(Cc1cc(I)ccc1Cl)C2 2380514186 ZJOKIKXYIYHLIZ-CABCVRRESA-N 472.567 5.034 50 10 JKGE CSc1sc(C)cc1[C@H]1C(C#N)=C(N)N(c2c(F)cccc2F)C2=C1C(=O)CC(C)(C)C2 9982384 YAGCNSASNNFDBC-IBGZPJMESA-N 471.598 5.998 50 10 JKGE CC[C@H](C)c1ccc(OCC(=O)NNC(=O)C(c2ccccc2)c2ccccc2)c(Br)c1 14832241 OLNGNJPCCDFYDZ-SFHVURJKSA-N 495.417 5.321 50 10 JKGE CCCSc1ccc(-c2nn(-c3ccccc3)cc2/C=C(\C#N)C(=O)NC[C@H]2CCCO2)cc1 33698979 MQNBFILSWWYZED-MWKGPOOMSA-N 472.614 5.244 50 10 JKGE Cc1ccc(N(C(=O)CCl)[C@H](C(=O)N[C@@H]2CCCC[C@@H]2C)c2ccc(Cl)cc2)cc1C 33910363 RXHRPSUONFVIGL-YJGRUCBDSA-N 461.433 5.965 50 10 JKGE Cc1cc(C(=O)[C@@H](C)Cl)c(C)n1-c1c(Br)cc(Br)cc1Br 37327058 PIRPEKDUBDCZQH-MRVPVSSYSA-N 498.440 6.192 50 10 JKGE C=CCOc1ccc(C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@@H]3c2ccc(OCCCC)cc2)cc1 38650823 HSNQETQNBOQFJH-MUUNZHRXSA-N 496.563 5.868 50 10 JKGE CCCOc1ccccc1[C@H]1C(C#N)=C(N)Oc2cc(OC(=O)COc3ccccc3Cl)ccc21 38681545 QUTRBSRPLBRFMF-AREMUKBSSA-N 490.943 5.331 50 10 JKGE CCOc1ccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4ccc(Br)cc4)ccc32)cc1 38685654 KZUQPIVASYQTKJ-QHCPKHFHSA-N 491.341 5.285 50 10 JKGE CCOC(=O)/C(C#N)=C/c1ccc(OC(=O)/C=C/c2ccc(OCCC(C)C)c(OC)c2)c(OC)c1 40999860 LNRPNLUULPVZCA-TZLYQZOHSA-N 493.556 5.218 50 10 JKGE C=CCc1cc(/C=N\NC(=O)CC[C@@H](O)c2ccccc2)cc(OCC)c1OCc1ccc(F)cc1 58892236 BWHFXSGILYTXFU-LLLIGWKVSA-N 490.575 5.496 50 10 JKGE CCOc1cc(/C=N/NC(=O)c2cc3ccccc3o2)cc(Cl)c1OCc1ccc(Cl)cc1 59305008 PAZCKOBVRAFPKZ-CCVNUDIWSA-N 483.351 6.481 50 10 JKGE C[C@@H]1CCCC[C@H]1NC(=O)[C@@H](c1ccccc1Cl)N(Cc1ccc(Cl)cc1)C(=O)CCl 97914356 CUHNQYISIRIYKE-FQQGMQMYSA-N 481.851 5.997 50 10 JKGE CCOc1ccc([C@@H](C(=O)NC2CCCCC2)N(CCC2=CCCCC2)C(=O)CCl)cc1OC 97914655 OSKCLHKGALJJBS-SANMLTNESA-N 491.072 5.542 50 10 JKGE N#CC1=C(S)N(c2ccccc2)[C@H](/C=C\c2ccc(-c3ccc(Cl)cc3Cl)o2)NC1=O 102957743 QWHDDLHBTAHTHE-ZRKSWWEUSA-N 468.365 5.894 50 10 JKGE COc1cc(Cl)c([C@H](Br)c2ccc(Br)cc2Cl)cc1OC 109866743 CEUNMQHKVROQPZ-OAHLLOKOSA-N 454.973 6.257 50 10 JKGE Cc1sc(Br)cc1[C@H](Br)c1ccc2cc(Br)ccc2c1 159679123 KTHQTURBVHNVBL-MRXNPFEDSA-N 475.043 7.219 50 10 JKGE CCOc1ccc([C@@H](Br)c2ccc(Br)s2)cc1Br 228996418 MDSNELKAWKBEDN-CYBMUJFWSA-N 455.009 6.156 50 10 JKGE CC(C)Cc1ccc([C@H](Br)c2ccc(I)c(Cl)c2)cc1 232342513 HCHXLVQCDBCPKN-KRWDZBQOSA-N 463.584 6.627 50 10 JKGE Brc1cc([C@@H](Br)C2Cc3ccccc3C2)c(Br)s1 232467871 LQEWSKDCGAIZJW-ZDUSSCGKSA-N 451.021 6.124 50 10 JKGE Cl[C@@H](Cc1nc2ccccc2s1)c1cc(I)ccc1Br 236026195 HQAOLRGHGWJMBV-LBPRGKRZSA-N 478.580 6.186 50 10 JKGE CCC(=NNC(=O)c1cc(-c2ccc(OC)cc2OC)nc2ccccc12)c1ccc(C)s1 252643533 ZVOINHZFPONWNZ-UHFFFAOYSA-N 459.571 5.833 50 10 JKGE CCCCCCCCCCOc1ccc(C(=O)NN=Cc2ccc(OC/C=C\Cl)cc2)cc1 254832741 LAVDEMDRGKMXBF-WGQBNOOZSA-N 471.041 7.101 50 10 JKGE O=C(CSc1c(Cl)c(Cl)c(Cl)c(Cl)c1Cl)NN=Cc1ccc(Cl)cc1 254844545 DUYGHDONLLDROG-UHFFFAOYSA-N 477.027 6.849 50 10 JKGE CC1(C)[C@@]2(C(Br)Br)CC[C@@]1(C(=O)NC1CCCCC1)[C@H]2Br 256022800 CYSNTGZZZNMMAL-UVBJJODRSA-N 486.086 5.121 50 10 JKGE Clc1ccc(Br)c([C@H](Br)c2cc(Cl)c(Cl)c(Cl)c2Cl)c1 405062630 BNEPOXNXYTYPGY-JTQLQIEISA-N 498.256 8.200 50 10 JKGE CC(C)(C)[Si](C)(C)OCc1cccc([C@@H]2CNc3ccccc3N2S(=O)(=O)c2ccccc2)c1 616583382 COIKQBLNBTYHSC-SANMLTNESA-N 494.733 6.571 50 10 JKGE C[C@@H]1[C@H](Br)C[C@H]2CC[C@H]1N2C(=O)c1cc(Br)c(Br)s1 686193202 MJBBPSDOKOIMLI-FDDDBJFASA-N 472.040 5.050 50 10 JKGE COCc1cc(Br)c([C@H](Cl)c2csc(I)c2)s1 688102294 QHFKHEREZZHFEJ-SNVBAGLBSA-N 463.587 5.651 50 10 JKGE C[C@@H](Br)[C@H]1CCCCN1C(=O)c1scc(Br)c1Br 688887566 PGHYFALTUMDMHV-VXNVDRBHSA-N 460.029 5.051 50 10 JKGE C[C@H]([C@@H]1CCN(Cc2ccccc2)C1)n1c(CCl)nc2ccc(F)c(Br)c21 689795362 SFAIBJAJUOYEGL-GDBMZVCRSA-N 450.783 5.760 50 10 JKGE BrCc1ccc(N2CC[C@@H]3[C@@H](CCCN3Cc3ccccc3)C2)c(Br)c1 715014979 MLNHZIFCWXENKI-PZJWPPBQSA-N 478.272 5.835 50 10 JKGE CCc1ccc(CC)c([C@H](Cl)c2ccc(I)c(Br)c2)c1 721572470 LCUUDCBHGCNMOU-QGZVFWFLSA-N 463.584 6.507 50 10 JKGE O=C(CCl)N[C@@H](Oc1c(Cl)c(Cl)c(Cl)c(Cl)c1Cl)C(Cl)(Cl)Cl 1614375914 HCTRNENETKSYJK-VIFPVBQESA-N 489.224 6.384 50 10 JKGE COc1ccc(N2C(=O)[C@H](Cc3cccc(C)c3)S/C2=C(\C#N)C(=O)N[C@H](C)c2ccccc2)cc1 1614653197 TZGAHOWETQTCMD-JPNRISNCSA-N 497.620 5.307 50 10 JKGE CC(C)=CCC/C(C)=C\C=NNC(=O)c1cc(C(=O)NN=C/C=C(\C)CCC=C(C)C)c(C)nc1C 1772721614 GBIYZCKJMTUOKB-GFKSNACYSA-N 491.680 6.515 50 10 JKGE COc1ccccc1NC(=O)c1oc2c(c1C)C(=NNC(=O)c1ccc(Cl)cc1Cl)CCC2 1772747406 HKUPILGBJZAQJO-UHFFFAOYSA-N 486.355 5.626 50 10 JKGE CCc1ccccc1NC(=O)c1oc2c(c1C)C(=NNC(=O)c1cncc(Br)c1)CCC2 1772747543 PQYAQMISRJOINM-UHFFFAOYSA-N 495.377 5.031 50 10 JKGE O=C(CCBr)Nc1ccc(Oc2ccc(NC(=O)[C@@H]3CCCC[C@@H]3C(=O)O)cc2)cc1 1859504663 BUSPSCBLCJPIBA-UXHICEINSA-N 489.366 5.032 50 10 JKGE COc1ccc(-n2nc(-c3ccccc3)c3c2OC(N)=C(C#N)[C@@H]3c2ccc(C(C)C)cc2)cc1 1865684889 BARPWWSICNAKJT-VWLOTQADSA-N 462.553 5.889 50 10 JKGE Cc1nn(Cc2ccc(Cl)c(Cl)c2)c2c1[C@H](c1ccc(Cl)cc1Cl)C(C#N)=C(N)O2 1865684991 BUCBNONPLJSBFW-LJQANCHMSA-N 480.182 6.072 50 10 JKGE CCCCOc1ccc([C@H]2C(C#N)=C(N)Oc3c2c(-c2ccccc2)nn3-c2ccccn2)cc1OC 1865696504 GPQLMMBRFTZOCL-VWLOTQADSA-N 493.567 5.340 50 10 JKGE COc1cc([C@@H]2C(C#N)=C(N)Oc3c2c(C)nn3-c2cccc3ccccc23)ccc1OC(C)C 1865696868 SKRQVNWUJAFXQM-AREMUKBSSA-N 466.541 5.348 50 10 JKGE N#C/C(=C(/O)CN1C(=O)c2ccccc2C1=O)c1nc(-c2ccc(-c3ccccc3)cc2)cs1 1872744196 XXROHAFSQDIKAC-GYHWCHFESA-N 463.518 5.566 50 10 JKGE CC[C@H](C)[C@@H](/C(O)=C(\C#N)c1nc(-c2ccc3c(c2)CCCC3)cs1)N1C(=O)c2ccccc2C1=O 1872745360 JOHJLASJSPPJNH-OHEPZBQHSA-N 497.620 6.192 50 10 JKGE CC[C@@H](C)N1C(=O)c2ccc(/C(O)=C(\C#N)c3nc(-c4ccc5c(c4)CCCC5)cs3)cc2C1=O 1872745539 RSSVYDQLMUCQTL-IEQXMEILSA-N 483.593 6.033 50 10 JKGE COc1ccc(C/C(O)=C(\C#N)c2nc(-c3cccc(Br)c3)cs2)c(OC)c1 1872745965 LRTFNMMYGWYZBQ-ZPHPHTNESA-N 457.349 5.625 50 10 JKGE COc1cc(C)c(-c2csc(/C(C#N)=C(\O)COc3ccc(Cl)cc3Cl)n2)cc1C(C)C 1872753543 CEDREUDHUZICRR-UZYVYHOESA-N 489.424 7.429 50 10 JKGE CCOc1ccc(OCC)c(-c2csc(/C(C#N)=C(\O)c3cc(OC)cc(OC)c3)n2)c1 1872754980 SISVNMQLHREJQL-ATJXCDBQSA-N 452.532 5.575 50 10 JKGE CCCCCCCOc1ccc(-c2csc(/C(C#N)=C/c3ccc(OCCCCC)cc3)n2)cc1 1872791609 NPWAQDYBUQSTHT-YYADALCUSA-N 488.697 8.792 50 10 JKGE C[C@@H](Br)CN(Cc1ccccc1)Cc1cc(I)ccc1Cl 1893661701 ROVIKLAMZLSFRF-CYBMUJFWSA-N 478.599 5.730 50 10 JKGE Clc1cc(I)c([C@H](Br)c2ccccc2Br)s1 1901025771 JQHPAANEXMBSKD-SNVBAGLBSA-N 492.401 6.253 50 10 JKGE Cc1ccc([C@@H](Br)c2c(C)nsc2Br)c(C)c1Br 1912931995 LNZSEFYIHBQELW-GFCCVEGCSA-N 454.025 6.078 50 10 JKGE C[C@@H](CCBr)N(Cc1ccccc1)C(=O)c1cccc(F)c1I 1915107508 VUFRBDKRZPVEIN-ZDUSSCGKSA-N 490.154 5.246 50 10 JKGE Clc1c(Br)sc(Br)c1[C@H](Cl)c1ccc(Br)s1 1923048046 DYYSSEBNPBZMBY-ZCFIWIBFSA-N 485.875 7.079 50 10 JKGE CCCOc1cccc([C@@H](Cl)c2c(Br)sc(Br)c2Cl)c1 1923050719 YQUNPJFBOLHFRK-LLVKDONJSA-N 459.030 7.044 50 10 JKGE Clc1c(Br)sc(Br)c1[C@@H](Br)[C@@H]1Cc2ccccc2O1 1923068214 OHWZFYGNCVVTAN-WPRPVWTQSA-N 487.438 6.366 50 10 JKGE Cl[C@H](c1c(Br)sc(Br)c1Br)[C@H]1CC12CCCC2 1924568652 JTVBJBJWEGJWAL-MUWHJKNJSA-N 463.460 6.896 50 10 JKGE CC1(C)C[C@]1(C)[C@@H](Cl)c1c(Br)sc(Br)c1Br 1924611557 CBNSERQUZQXEIH-WRWORJQWSA-N 451.449 6.752 50 10 JKGE Cc1cc([C@@H](Cl)c2c(Cl)sc(Br)c2Cl)sc1Br 1925569693 WQDKASFMGZQCLO-ZCFIWIBFSA-N 455.451 7.278 50 10 JKGE Cl[C@@H](C[C@H]1C[C@H]2C[C@H]2C1)c1c(Br)sc(Br)c1Br 1950173988 QWKIQLLUNWCXHI-HSNKUXOKSA-N 463.460 6.752 50 10 JKGE O=C(OCC1c2ccccc2-c2ccccc21)N1CC[C@](CCCC[C@@H]2CCSS2)(C(=O)O)C1 1951709724 UIAZQGWUEYPIJZ-WINIVTDRSA-N 497.682 6.426 50 10 JKGE CCCN(Cc1ccccc1)S(=O)(=O)c1cc(CBr)cc(C)c1Br 2009644934 GTZXKRFHUJSTFP-UHFFFAOYSA-N 475.246 5.253 50 10 JKGE CCN(C[C@@](C)(CI)O[C@@H]1CC(C)(C)C1(C)C)C(=O)OC(C)(C)C 2025011139 PBDOPZJFKLPKFR-AUUYWEPGSA-N 453.405 5.278 50 10 JKGE FC1(F)[C@@H]2CC[C@H]([C@@H](Br)c3cc(Br)sc3Br)C[C@H]21 2030334697 VSXQBQLTMUZVDH-LJHRJBCISA-N 464.995 6.391 50 10 JKGE Clc1c(Br)sc(Br)c1[C@H](Br)[C@@H]1CO[C@H]2COC[C@@H]12 2040325940 OARGABZSDCMOPS-SKHQTKALSA-N 481.431 5.024 50 10 JKGE Cc1cc(Br)c([C@@H](Cl)c2cn(C)nc2Br)cc1Br 2052972126 SCCOQMQBNKYVEB-LLVKDONJSA-N 457.391 5.344 50 10 JKGE CC1(C)[C@H](Br)CCCN1C(=O)c1cc(Br)c(Br)s1 2076214944 SCHKCAMXNDJBGB-SECBINFHSA-N 460.029 5.051 50 10 JKGE COc1c(Cl)cc(Br)cc1[C@H](Br)c1sncc1Br 2082867847 GUVDZYAIZLBGNX-VIFPVBQESA-N 476.415 5.814 50 10 JKGE Br[C@H](c1cc(I)sn1)c1ccc(-c2cccs2)s1 2085084171 SYUURVMVIYNBDV-GFCCVEGCSA-N 468.204 6.022 50 10 JKGE Clc1ccc(I)c([C@@H](Cl)c2cc(C3CC3)c(Br)s2)c1 2094673911 PWZNBBDZQOXPAQ-CYBMUJFWSA-N 488.015 6.974 50 10 JKGE Clc1c(Br)ccc(CBr)c1N1C[C@H]2CCN(Cc3ccccc3)C[C@@H]2C1 2098118014 SGHPICZHLJIZCR-QZTJIDSGSA-N 498.690 5.956 50 10 JKGE FC(F)(C1CCCCC1)[C@@H](Br)c1c(Cl)sc(Br)c1Cl 2128814327 ASFPKRMDHVPSHM-VIFPVBQESA-N 457.005 7.469 50 10 JKGE Brc1cc([C@@H](Br)c2ccc(-c3cccs3)s2)sc1Br 2140981686 XRROIPPACFVOJO-LBPRGKRZSA-N 499.112 7.547 50 10 JKGE Clc1ccc(C[C@H](Cl)c2ccc(Br)cc2I)cc1Cl 2142278232 AGVCKFJASHWKQA-LBPRGKRZSA-N 490.393 6.883 50 10 JKGE C[C@@H]1Cc2cc([C@H](Cl)c3ccc(I)cc3)cc(Br)c2O1 2146616957 VCYZPFBJMJPSTL-RFAUZJTJSA-N 463.540 5.705 50 10 JKGE Brc1scc([C@@H](Br)Cc2cccc3ccccc23)c1Br 2150342000 OKWOGOBRNHYYDE-AWEZNQCLSA-N 475.043 7.105 50 10 JKGE Brc1scc([C@H](Br)Cc2cccc3ccccc23)c1Br 2150342001 OKWOGOBRNHYYDE-CQSZACIVSA-N 475.043 7.105 50 10 JKGE CCOc1cc(Cl)c([C@H](Br)c2cc(Br)sc2C)cc1Cl 2152048270 SRSWVSOKVBIHFY-CQSZACIVSA-N 459.030 7.009 50 10 JKGE C[C@H]1C[C@@H](CCC(CBr)(CBr)c2ccccc2Br)CO1 2159284194 BASVPRDJGLDBGU-QWHCGFSZSA-N 469.055 5.682 50 10 JKGE CC(C)C(CCO[C@@H](CI)c1ccc(Br)cc1)C(C)C 2189251517 IZANIVBBFCWGCR-KRWDZBQOSA-N 453.202 6.260 50 10 JKGE COc1cc([C@@H](Br)c2cc(Br)c(Cl)cc2F)ccc1Br 2192150333 GDUQRVILKFVVPP-CQSZACIVSA-N 487.388 6.497 50 10 JKGE COc1cc(C)c([C@H](Br)c2c(Cl)cccc2Br)cc1Br 2198731935 CVPUSKZETZEZPM-HNNXBMFYSA-N 483.425 6.666 50 10 JKGE Cc1cc(Br)c(C)c([C@@H](Br)[C@H]2CC3(CCC3)CO2)c1Br 2201079412 SQYRQKRQXSZTDN-DOMZBBRYSA-N 467.039 6.224 50 10 JKGE COc1cc2c(cc1Br)nc([C@@H](C)Cl)n2[C@@H](C)CCOCc1ccccc1 2202312284 RGVQBLWCMMPVFT-LSDHHAIUSA-N 451.792 6.275 50 10 JKGE Fc1cccc(C[C@H](CBr)Cc2ccc(I)c(Cl)c2)c1 2208042051 BMDXMFNUTVUJEB-ZDUSSCGKSA-N 467.547 5.880 50 10 JKGE Cc1sc([C@H](Br)c2cc(Cl)c(Br)s2)c(Br)c1C 2215945961 SOWCMDWMYNTLCC-SECBINFHSA-N 479.484 7.089 50 10 JKGE Cc1cc([C@@H](Cl)c2cc(Br)c(Br)cc2F)oc1Br 2218595670 AFXJFKQLPCKVBS-NSHDSACASA-N 461.350 6.343 50 10 JKGE CC[C@@]1([C@@H](Br)c2cc(Br)c(Br)cc2F)CC1(F)F 2218603087 IUFUFASRHLQKEQ-QWRGUYRKSA-N 450.918 6.222 50 10 JKGE CC[C@](C)(CCCC(C)C)O[C@]1(CI)CCCN(C(=O)OC(C)(C)C)C1 2226057645 QBAYAZWVWWSFGO-RTWAWAEBSA-N 481.459 6.203 50 10 JKGE Cc1cc(Br)c([C@H](Br)[C@@H]2C[C@H](C)O[C@H]2C)c(C)c1Br 2227359543 JAZZMGASDMSAGK-VATFKXGISA-N 455.028 6.078 50 10 JKGE FC(F)(F)[C@@H]1C[C@@H]1C[C@H](Br)c1c(Br)cc(Cl)c(Cl)c1Cl 2232512224 SLKZBSADYVFOTF-PBXRRBTRSA-N 475.357 7.434 50 10 JKGE CCOCc1cc(Br)c([C@@H](Br)c2nn(CC)cc2Br)s1 2233018437 MFRZMFRAGZKHQO-NSHDSACASA-N 487.055 5.510 50 10 JKGE O=[N+]([O-])c1c(Br)cccc1Oc1cccc(Br)c1CBr 2240741059 RXOMOVLXAPKRJL-UHFFFAOYSA-N 465.923 5.807 50 10 JKGE COc1c([C@@H](Br)c2cc(Br)sc2Br)csc1Cl 2248560443 VXXGFMMFJRTOMD-ZETCQYMHSA-N 481.456 6.481 50 10 JKGE Cc1cc(Cl)c(Cl)cc1[C@@H](Br)c1cc(Br)cc(Br)c1 2264359276 ICHHEYMAPIZONA-AWEZNQCLSA-N 487.844 7.311 50 10 JKGE CC1(C)CC(C[C@H](Br)c2c(F)cc(Br)c(F)c2Br)C1 2272721262 FYASDNPAUFHSHS-QMMMGPOBSA-N 460.982 6.752 50 10 JKGE C[C@@H]1OCC[C@@H]1C[C@@H](Br)c1c(F)cc(Br)c(F)c1Br 2272747745 NNSNIXUAYAAZET-XLPZGREQSA-N 462.954 5.741 50 10 JKGE C[C@@H]1CCC[C@@H]([C@@H](Br)c2c(F)cc(Br)c(F)c2Br)C1 2272853255 JFZYNYHZTAKSTI-DNSOKLHBSA-N 460.982 6.752 50 10 JKGE Brc1cc(Br)cc(C[C@@H](Br)[C@@H]2CC23CCCCC3)c1 2277952003 CEGRZYLZNRLINQ-LSDHHAIUSA-N 451.040 6.488 50 10 JKGE CC1(C)CCC([C@H](Br)Cc2cc(Br)cc(Br)c2)CC1 2277965077 JVFGINPWWGAQDO-OAHLLOKOSA-N 453.056 6.734 50 10 JKGE C[C@@H](Br)CN(CCC(C)(C)C)Cc1ccc(I)c(Cl)c1 2288142009 HWIBCFBTMOSSGG-GFCCVEGCSA-N 472.636 5.966 50 10 JKGE Fc1cc(Br)c(F)c(Br)c1[C@H](Br)[C@]12CCCC[C@H]1CC2 2288997693 KUFSXBNTJLBKEV-QXRSLXQMSA-N 472.993 6.896 50 10 JKGE COc1ccccc1C=CC=NNC(=O)CSc1nnc(SCc2ccccc2Cl)s1 2293744181 PAODBATXKCMOAQ-UHFFFAOYSA-N 491.063 5.400 50 10 JKGE CCOc1ccc(NC(=O)C(C#N)=Cc2ccc(Oc3ccc(C(F)(F)F)cc3[N+](=O)[O-])cc2)cc1 2294147008 UIAMRVWSNUKMCA-UHFFFAOYSA-N 497.429 6.350 50 10 JKGE N#CC(=Cc1ccc(OCc2ccccc2)cc1)C(=O)Nc1cc(C(F)(F)F)ccc1Cl 2295187825 XKAPUHWVCILOIV-UHFFFAOYSA-N 456.851 6.483 50 10 JKGE Cc1ccc(CC[C@@H](Br)Cc2cc(Br)cc(Br)c2)cc1 2295338331 VLLZGGSRRXUNTL-OAHLLOKOSA-N 461.035 6.459 50 10 JKGE N#CC(=Cc1ccccc1OCc1ccccc1Cl)C(=O)Nc1cc(Cl)cc(Cl)c1 2295459805 ZVPLSPGZUPGTPW-UHFFFAOYSA-N 457.744 6.771 50 10 JKGE CCCCc1ccc(C[C@@H]2SC(=C(C#N)C(=O)Nc3ccc(C)cc3)N(c3ccccc3)C2=O)cc1 2296507093 SSSLKBGSWXQEDG-MHZLTWQESA-N 495.648 6.403 50 10 JKGE N#CC(=Cc1ccc(-c2cc(Cl)ccc2Cl)o1)C(=O)Nc1cc(Cl)ccc1Cl 2296655582 BMSYAXZALZYQKQ-UHFFFAOYSA-N 452.124 7.106 50 10 JKGE Cc1ccc(S(=O)(=O)C(C#N)=Cc2c(Oc3ccc(Cl)cc3)nc3c(C)cccn3c2=O)cc1 2296719417 NWQDWFQOFDOUHJ-UHFFFAOYSA-N 491.956 5.095 50 10 JKGE Brc1ccc(OCc2ccccc2)c([C@@H](Br)[C@@H]2CC23CCCC3)c1 2299503249 DGHKLAPHFLZYQB-AZUAARDMSA-N 450.214 7.044 50 10 JKGE C[C@@H]1CCO[C@H]1C[C@@H](Br)c1cc(Br)ccc1OCc1ccccc1 2299505239 VBVMJTKPBCJNRN-DJKXOVBDSA-N 454.202 6.279 50 10 JKGE ClC[C@@H](Br)[C@H](CCl)OCc1cc(I)ccc1Cl 2307206623 MHLCKNMUIAHQNH-KOLCDFICSA-N 472.375 5.071 50 10 JKGE Brc1cc(OCc2ccccc2)ccc1[C@H](Br)[C@@H]1CCCC12CCC2 2314442269 BEIHTMINUGQKNK-FPOVZHCZSA-N 464.241 7.435 50 10 JKGE Fc1cc(F)cc([C@H](Br)c2ccc(OCc3ccccc3)cc2Br)c1 2314447802 BUFLRIAEJQTGMG-FQEVSTJZSA-N 468.135 6.791 50 10 JKGE CCc1occ(C)c1[C@H](Br)c1cc(Br)ccc1OCc1ccccc1 2314453918 AGRYNVRLJVEGJT-OAQYLSRUSA-N 464.197 6.976 50 10 JKGE CC[C@H](CC(F)(F)F)[C@@H](Br)c1ccc(OCc2ccccc2)cc1Br 2314502839 MKMHNCQFVDVZCQ-RDTXWAMCSA-N 480.162 7.443 50 10 JKGE C[C@@H]1C[C@](CBr)(Cc2ccc(I)c(Br)c2)CCO1 2325220963 KNIMALJMAAGHES-YGRLFVJLSA-N 488.001 5.176 50 10 JKGE COCCOc1ccc(C=C(C#N)C(=O)Nc2sc(C)c(-c3ccccc3)c2C(=O)OC)cc1 2331123639 ZOIWYIOUFSBRKE-UHFFFAOYSA-N 476.554 5.081 50 10 JKGE COc1ccc(OCCCC(O)=C(C#N)c2nc(-c3ccc(OC)c(OC)c3)cs2)cc1 2331242638 WRILCPFXRJAPMB-UHFFFAOYSA-N 452.532 5.488 50 10 JKGE CCCCc1ccc(-c2csc(C(C#N)=C(O)[C@H]([C@H](C)CC)N3C(=O)c4ccccc4C3=O)n2)cc1 2331256572 AQBYDDAGAZBSOR-CJAUYULYSA-N 499.636 6.656 50 10 JKGE Cc1ccc(-c2csc(C(C#N)=Cc3ccccc3OCc3ccccc3Cl)n2)c(C)c1 2331443299 JKSLBGWGQYUORH-UHFFFAOYSA-N 456.998 7.724 50 10 JKGE CCCOc1ccc(-c2csc(C(C#N)=Cc3cc(Br)c(O)c(OCC)c3)n2)cc1 2331445142 LIPQOJFZZCKLCT-UHFFFAOYSA-N 485.403 6.530 50 10 JKGE COc1ccc(C)cc1-c1csc(C(C#N)=Cc2ccccc2OCc2ccc(Cl)cc2)n1 2331449417 YQUXEZVGSOEWHD-UHFFFAOYSA-N 472.997 7.424 50 10 JKGE CCCCOc1ccc(C=C(C#N)c2nc(-c3ccc(C(C)(C)C)cc3)cs2)cc1OCC 2331453412 QWJRIKNUMSIBSV-UHFFFAOYSA-N 460.643 7.749 50 10 JKGE CCOc1c(C=C(C#N)c2nc(-c3cc(Cl)cc(Cl)c3OC)cs2)cccc1OC 2331467578 HDIXRLATWYPELE-UHFFFAOYSA-N 461.370 6.597 50 10 JKGE COc1ccc(Cl)cc1[C@@H](Br)c1ccc(OCc2ccccc2)cc1Br 2336049404 CLMGWNFNFOWKRA-NRFANRHFSA-N 496.626 7.174 50 10 JKGE CC(C)c1ccc([C@H](Br)c2cc(Br)ccc2OCc2ccccc2)cc1 2336050537 LHMZBNAEHRBHQS-QHCPKHFHSA-N 474.236 7.636 50 10 JKGE COc1cscc1[C@@H](Br)c1c(C)cc(Br)c(F)c1Br 2339652923 DNJXTWNWLGFUIS-LLVKDONJSA-N 472.999 6.214 50 10 JKGE Cc1cc(C)c([C@@H](Br)c2c(C)cc(Br)c(F)c2Br)s1 2339658570 JPZOJZADHBNYDQ-LBPRGKRZSA-N 471.027 6.822 50 10 JKGE Cc1cc(Br)c(F)c(Br)c1[C@H](Br)C(F)(F)CC1CC1 2339683110 ZRKOBTMEYVYLGU-LBPRGKRZSA-N 464.945 6.531 50 10 JKGE COc1cc(Cl)c(CBr)c(Oc2ccccc2I)c1 2340236922 FZGYXYRDSZTMKR-UHFFFAOYSA-N 453.501 5.640 50 10 JKGE ClCc1cnc(OCc2cc(I)ccc2Cl)c(Br)c1 2352274416 WVLCJNVJQJUGJT-UHFFFAOYSA-N 472.935 5.420 50 10 JKGE Clc1ccc(I)cc1CN(CCBr)Cc1ccsc1 2352413444 HSAOQWSJLGLERX-UHFFFAOYSA-N 470.601 5.403 50 10 JKGE Brc1ccc(OCc2ccccc2)c([C@H](Br)c2cccc3ccccc23)c1 2361175811 CMROWHQOAGRZET-XMMPIXPASA-N 482.215 7.666 50 10 JKGE CC(C)(C)[C@@]1(CBr)CCN(Cc2ccc(Cl)c(I)c2)C1 2362380611 SIKWQQISJYKIAL-MRXNPFEDSA-N 470.620 5.578 50 10 JKGE CC1(C)CCC(C)(C)[C@H](Cc2ccc(Cl)c(I)c2)[C@@H]1Br 2362438402 PKGXOYVKEKADCQ-DOMZBBRYSA-N 469.632 6.713 50 10 JKGE CC[C@H](C)[C@H](c1ccccc1)[C@H](Br)c1sc(Cl)cc1I 2363891659 JSHYADGVCLCCQT-VQISRLSMSA-N 483.640 7.272 50 10 JKGE COc1c(Br)cc(C)c([C@H](Cl)c2cc(C)c(Br)o2)c1Br 2365181992 YHILUAYCUZWQRA-GFCCVEGCSA-N 487.413 6.521 50 10 JKGE Cc1cc(Br)c(F)c(Br)c1[C@@H](Br)[C@H]1C[C@@H]2O[C@H]1[C@H]1C[C@@H]21 2365189784 YLCRNZLSSFWZDG-RMBCOPLJSA-N 468.986 5.519 50 10 JKGE CC(C)[C@@H](Br)C(C)(C)CNC(=O)c1c(Br)cccc1Br 2365848567 QHXADCYDHXQVJO-CYBMUJFWSA-N 470.043 5.387 50 10 JKGE CC(C)n1ncc(Br)c1COc1cccc(CBr)c1Br 2368163261 BXVWKFULOXETOJ-UHFFFAOYSA-N 466.999 5.463 50 10 JKGE CC1(C)[C@H]2CC[C@@H](C2)[C@@]1(CCl)Cc1ccc(I)c(Br)c1 2377335452 SIKBRAWLVAPGFW-DCGLDWPTSA-N 467.616 6.278 50 10 JKGE COc1cc(/C=C(\C#N)c2ccc(Cl)cc2)cc(Cl)c1OCc1cccc(C(=O)O)c1 2849398 HJOSNVSFXONRMV-VXLYETTFSA-N 454.309 6.343 50 10 JKGE CCSc1sccc1[C@H]1C(C#N)=C(N)N(c2cccnc2)C2=C1C(=O)C[C@@H](c1ccccc1)C2 9981720 MEAWDBAQWQSFGE-UUOWRZLLSA-N 484.650 5.954 50 10 JKGE N#C/C(C(=O)Nc1ccccc1Cl)=C1\S[C@@H](Cc2ccc(F)cc2)C(=O)N1c1ccccc1 13582063 URJGSHVAOBKKAK-ZUGOUDHMSA-N 477.948 5.544 50 10 JKGE CCCCCCOc1ccc(C(=O)NNC(=O)[C@@H](C)Oc2ccc(-c3ccccc3)cc2)cc1 14038809 CSMUKWCTEJNTQF-OAQYLSRUSA-N 460.574 5.541 50 10 JKGE CC[C@H](Oc1ccc(-c2ccccc2)cc1)C(=O)NNC(=O)c1ccc(OCCC(C)C)cc1 14768920 PGVNTAKMVYFHIA-SANMLTNESA-N 460.574 5.397 50 10 JKGE CC(=O)Oc1c(Br)cc(/C=C(/C#N)C(=O)Nc2c(C)cccc2C)cc1Br 33344058 QBPIXFFPTXECFY-CHHVJCJISA-N 492.167 5.299 50 10 JKGE N#C/C(=C/c1ccc(Oc2ccc(C(F)(F)F)cc2[N+](=O)[O-])cc1)c1nc2ccccc2[nH]1 33417472 HOCWIWIJKWYAID-PTNGSMBKSA-N 450.376 6.346 50 10 JKGE Cc1ccccc1Oc1nc2c(C)cccn2c(=O)c1/C=C(\C#N)c1nc2ccccc2s1 33590292 PUHBXAVJLINDCX-NBVRZTHBSA-N 450.523 5.778 50 10 JKGE N#CC1=C(N)Oc2cc(OC(=O)c3cccc(Cl)c3)ccc2[C@H]1c1ccc(Cl)c(Cl)c1 38656021 YGQYTOCNZZZDIR-OAQYLSRUSA-N 471.727 6.084 50 10 JKGE CC(C)COc1ccc(C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@H]3c2cccc(F)c2)cc1 38678134 PDWUDSSCEFHVJC-VWLOTQADSA-N 458.489 5.298 50 10 JKGE CCCCOc1ccccc1[C@@H]1C(C#N)=C(N)Oc2cc(OC(=O)c3ccccc3F)ccc21 38683043 ZQKUFZPTEIENJF-VWLOTQADSA-N 458.489 5.442 50 10 JKGE CCCCOc1ccccc1C(=O)Oc1ccc2c(c1)OC(N)=C(C#N)[C@@H]2c1ccc(C(=O)OC)cc1 38683692 ARMRQVPJHWRQTI-AREMUKBSSA-N 498.535 5.089 50 10 JKGE CCCCOc1ccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4ccc(C)cc4)ccc32)cc1OCC 38683980 GJFVKGRBRMGZEK-MUUNZHRXSA-N 498.579 6.010 50 10 JKGE COc1ccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4oc5ccc(Cl)cc5c4C)ccc32)cc1 38687392 FFBBYFTZPAENMH-XMMPIXPASA-N 486.911 5.841 50 10 JKGE Cc1c(C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@@H]3c2cccs2)oc2ccc(Cl)cc12 38688410 CBZQNWCBKSRONQ-OAQYLSRUSA-N 462.914 5.894 50 10 JKGE Cc1c(C(=O)Oc2ccc(Cl)cc2Cl)oc2c1/C(=N/NC(=O)c1ccc(F)cc1)CCC2 40811962 GNINIISLWAPKFH-WPWMEQJKSA-N 475.303 5.724 50 10 JKGE CCOc1ccc([C@@H](O)CCC(=O)N/N=C/c2cc(C)n(-c3cc(Cl)ccc3Cl)c2C)cc1 58894522 GITTYFFREITHJD-GCFUEJLLSA-N 488.415 5.764 50 10 JKGE Cc1c(/C=N/NC(=O)c2cc3cc(Br)ccc3o2)c2ccccc2n1Cc1ccccc1 59303658 GBNBGGSNAFPQQT-RWPZCVJISA-N 486.369 6.271 50 10 JKGE O=C(N/N=C/c1ccc(OCc2ccccc2Cl)cc1)c1cc2cc(Br)ccc2o1 59680183 PZXPUZSXSPKDJP-LGJNPRDNSA-N 483.749 6.192 50 10 JKGE Cc1cc(/C=C(/C#N)c2nc3c(s2)C[C@H](C)CC3)c(C)n1-c1ccc(Br)cc1 96835585 COOYYYZPIPYIJJ-IIMQCXAKSA-N 452.421 6.502 50 10 JKGE N#C/C(=C/c1ccc(-c2cc(C(F)(F)F)ccc2Cl)o1)C(=O)Nc1cc(Cl)ccc1Cl 102957605 VNRULOWZGXDUEY-XFFZJAGNSA-N 485.676 7.471 50 10 JKGE CCn1nc(C)c(Br)c1C[C@@H](CBr)c1ccc(Br)cc1 118851542 SNKPOYAUCYQLCT-LBPRGKRZSA-N 465.027 5.458 50 10 JKGE COc1c(C)cc(Br)c(C)c1[C@H](Br)c1ccc(Br)c(Cl)c1 125736576 USVRRZMWMGVKKB-OAHLLOKOSA-N 497.452 6.975 50 10 JKGE O=C1CCCc2cc([C@@H](Br)c3cc(Br)c(Br)s3)ccc2N1 128555476 IKOLTAPRPPTAQD-CQSZACIVSA-N 494.046 6.032 50 10 JKGE O=[N+]([O-])c1cc(Br)ccc1COc1ccc(CBr)cc1Br 162284842 JBUGRTNPBWODNS-UHFFFAOYSA-N 479.950 5.594 50 10 JKGE N#C/C(=C/c1ccc(-c2ccccc2)o1)C(=O)Nc1cc(C(F)(F)F)cc(C(F)(F)F)c1 209395564 RDBKOUNGXOBKIU-ZSOIEALJSA-N 450.338 6.530 50 10 JKGE COc1ccc([C@H](Br)c2ccc(I)cc2)c(OC)c1Cl 224656535 BYMCLKCZTPWTNC-CYBMUJFWSA-N 467.528 5.446 50 10 JKGE Brc1ccc(C[C@H](Br)c2cc(Br)cc(Br)c2)cc1 232473584 HKLOKSGKHABAHP-AWEZNQCLSA-N 497.850 6.653 50 10 JKGE CCOc1ccc([C@H](Br)c2ccc(F)c(Br)c2)c(Br)c1 233791487 MNULFXLXYIIFQQ-OAHLLOKOSA-N 466.970 6.234 50 10 JKGE COCCc1ccc([C@H](Br)c2cc(Cl)ccc2I)cc1 234701845 VRHDWSDIPISWDM-INIZCTEOSA-N 465.556 5.618 50 10 JKGE Cc1cc(Cl)c([C@@H](Cl)c2cc(Br)ccc2I)cc1C 235840445 XSCNGJJNNQPAAL-OAHLLOKOSA-N 469.975 6.652 50 10 JKGE Cc1cccc([C@@H](Br)c2cc(Cl)c(Br)s2)c1Br 235927998 WNIBEVWDEVGPAS-LLVKDONJSA-N 459.428 6.719 50 10 JKGE CCc1ccc(C=NNC(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)cc1 252605313 GIDNPWTXZXYTBY-UHFFFAOYSA-N 494.251 5.438 50 10 JKGE CCOc1ccc(Br)cc1C=NNC(=O)c1ccccc1OCc1ccccc1 252623768 OYRRPJIKSPIJPH-UHFFFAOYSA-N 453.336 5.191 50 10 JKGE CC(C)(C)c1ccc(-c2nnc(SCC(=O)NN=Cc3cccs3)n2-c2ccccc2)cc1 254310967 MJTMWOJENXFOOL-UHFFFAOYSA-N 475.643 5.536 50 10 JKGE CCCCCOc1ccc(O[C@@H](C)C(=O)NN=Cc2ccc(OCCC)cc2OCCC)cc1 254626637 JWBJBNSIAFRWOG-NRFANRHFSA-N 470.610 5.751 50 10 JKGE O=C(NN=Cc1ccc(OCc2ccc3ccccc3c2)cc1)c1ccc(CN2CCOCC2)cc1 254845059 LEEXEHRIITVOSE-UHFFFAOYSA-N 479.580 5.015 50 10 JKGE Cc1ccc(/C=C\C(=O)OCC(=O)N(N=Cc2ccccc2)c2cccc(C(F)(F)F)c2)o1 254870260 SENCMEAUNKIOLQ-GWTWIMOTSA-N 456.420 5.231 50 10 JKGE CC1(C)[C@]2(C)CC[C@@]1(C(=O)Oc1ccc3ccccc3c1Br)[C@H]2Br 256019948 NJOIFJGMJDCQBR-DBVUQKKJSA-N 452.186 6.098 50 10 JKGE C[C@H]1CC(Oc2c(Br)cc(Br)cc2CBr)C[C@H](C)C1 311569537 UMPADBDHSKAVMX-NXEZZACHSA-N 455.028 6.310 50 10 JKGE CO[C@H]1CCC[C@H](Oc2c(Br)cc(Br)cc2CBr)C1 381960164 DMCXBCNVOQDWNB-RYUDHWBXSA-N 457.000 5.443 50 10 JKGE C[C@H]1CCC[C@@H](COc2c(Br)cc(Br)cc2CBr)C1 388683255 FEFCGBAVJLRCAH-WDEREUQCSA-N 455.028 6.312 50 10 JKGE Cc1cccc([C@@H](Br)c2cc(Cl)c(Cl)c(Cl)c2Cl)c1Br 404642992 DRHDOUMYAHECII-LLVKDONJSA-N 477.838 7.855 50 10 JKGE COCc1cc(Br)c([C@@H](Br)c2cc(F)cc(Br)c2)s1 688146342 OTGVDYJCVNAEIB-LBPRGKRZSA-N 472.999 6.043 50 10 JKGE Clc1sc([C@H](Br)Cc2ccccc2Br)cc1Br 692424119 RHUWLXNWQHUHBC-SECBINFHSA-N 459.428 6.605 50 10 JKGE Fc1cc(Br)c(Cl)cc1[C@H](Br)c1cscc1C(F)(F)F 717178031 KCFRCUMFSBVCHW-NSHDSACASA-N 452.492 6.806 50 10 JKGE Brc1cc([C@@H](Br)c2ccc3c(c2)CCC3)ccc1I 721607456 ZEDPSLAOJZLHKB-INIZCTEOSA-N 491.992 6.027 50 10 JKGE COc1cc(C=NNC(=O)c2ccccc2Br)ccc1OCc1cccc(Cl)c1 1083923271 PLJQDJZOGOOMKZ-UHFFFAOYSA-N 473.754 5.454 50 10 JKGE CC(C)(C)c1ccc(C(=O)Nc2ccc(C(=O)NN=Cc3ccc(Cl)cc3Cl)cc2)cc1 1084073628 JZGYMOQELDJKLZ-UHFFFAOYSA-N 468.384 6.307 50 10 JKGE COc1cc(/C=C(\C#N)C(=O)Nc2cccc(Cl)c2Cl)ccc1OCc1ccc(Cl)cc1 1084433697 SBSJNCBCUAPOOK-GZTJUZNOSA-N 487.770 6.780 50 10 JKGE C[C@@H](NC(=O)COc1ccc(C=NNC(=O)C(c2ccccc2)c2ccccc2)cc1)c1ccccc1 1084497806 JIVTZQYSTSJUHB-HSZRJFAPSA-N 491.591 5.225 50 10 JKGE COc1ccc(Cl)cc1NC(=O)c1oc2c(c1C)C(=NNC(=O)c1cccc(C)c1)CCC2 1772744731 HNEKZCMPDULJLN-UHFFFAOYSA-N 465.937 5.281 50 10 JKGE Cc1c(C(=O)NNC(=O)c2ccc(Cl)cc2Cl)oc2c1C(=NNc1ccc(F)cc1)CCC2 1772751119 VPOLTBSUUZOCGD-UHFFFAOYSA-N 489.334 5.261 50 10 JKGE O=C(CSc1nc2ccccc2s1)NN=Cc1ccc(OCc2c(F)cccc2Cl)cc1 1772760335 CWSJTXIEYRYVPN-UHFFFAOYSA-N 485.993 5.910 50 10 JKGE COc1ccc(-c2nn(-c3ccccc3)c3c2[C@H](c2ccc(C(C)(C)C)cc2)C(C#N)=C(N)O3)cc1 1865682874 ZKRDGSACTZJCFL-RUZDIDTESA-N 476.580 6.064 50 10 JKGE N#CC1=C(N)Oc2c(c(-c3ccccc3)nn2Cc2ccccc2)[C@H]1c1cccc(Br)c1 1865684835 ZSTLJSIETDSGKB-QFIPXVFZSA-N 483.369 5.579 50 10 JKGE CCc1nn(-c2ccc(Br)cc2)c2c1[C@@H](c1ccc(Cl)c(Cl)c1)C(C#N)=C(N)O2 1865686623 XYLDEQBGACILTI-SFHVURJKSA-N 490.188 5.722 50 10 JKGE N#CC1=C(N)Oc2c(c(-c3ccccc3)nn2Cc2cccc(F)c2)[C@H]1c1cc(Cl)ccc1O 1865689609 UFXPRCBVQRXPFQ-QFIPXVFZSA-N 472.907 5.315 50 10 JKGE CCCCCOc1ccc([C@@H]2C(C#N)=C(N)Oc3c2c(CC)nn3-c2cccc(Cl)c2)cc1 1865694101 UJAVPSAHUHSKOV-HSZRJFAPSA-N 462.981 5.875 50 10 JKGE N#CC1=C(N)Oc2c(c(-c3ccccc3)nn2Cc2ccc(Cl)cc2)[C@H]1c1c[nH]c2ccccc12 1865700045 JQCCNMOLTLYPJM-XMMPIXPASA-N 477.955 5.951 50 10 JKGE CCCc1nn(-c2ccccn2)c2c1[C@@H](c1ccc(OCc3ccccc3Cl)cc1)C(C#N)=C(N)O2 1865703793 FVMDJUUOMJWQLY-VWLOTQADSA-N 497.986 5.670 50 10 JKGE COc1cc([C@@H]2C(C#N)=C(N)Oc3c2c(-c2ccccc2)nn3-c2ccccc2)cc(Cl)c1O 1865706597 AEVAWECBZQMOTP-OAQYLSRUSA-N 470.916 5.125 50 10 JKGE C[C@H](NC(=O)CCc1ccc2nc(O)c(-c3ccccc3)cc2c1)C(=O)Nc1ccc(SC#N)cc1 1866934932 KYMZYUVWCPRFJW-SFHVURJKSA-N 496.592 5.257 50 10 JKGE Cc1ccc2c(c1)CCN(c1cc(Nc3ccc(SC#N)cc3)nc(C(C)(C)C)n1)[C@@H]2CC(C)C 1868342761 ZDUNLVYGKIQWLJ-RUZDIDTESA-N 485.701 7.549 50 10 JKGE CCOc1ccc(-c2nc(Nc3ccc(SC#N)cc3)cc(N3CCc4nc[nH]c4[C@@H]3C)n2)cc1 1868527505 CNKYAMKAKCRGFT-KRWDZBQOSA-N 483.601 5.706 50 10 JKGE N#C/C(=C(/O)c1ccccc1I)c1nc(-c2ccc([N+](=O)[O-])cc2)cs1 1872747102 NKIUVTZCWQQDRI-VKAVYKQESA-N 475.267 5.273 50 10 JKGE CCOc1ccc(OCC)c(-c2csc(/C(C#N)=C(\O)[C@@H]3CC(=O)N(C(C)(C)C)C3)n2)c1 1872755115 YYECYGSFDOOLNW-VGLIXDPASA-N 455.580 5.047 50 10 JKGE COc1ccc(-c2csc(/C(C#N)=C(\O)CCCOc3c(C)cccc3C)n2)c(OC)c1 1872755190 CIHHDVVDLRMYQQ-XDOYNYLZSA-N 450.560 6.096 50 10 JKGE CCOc1c(Br)cc(/C=C(\C#N)c2nc(-c3cccc(Cl)c3)cs2)cc1OC 1872790205 RQZDWTLJOBECHO-VIZOYTHASA-N 475.795 6.697 50 10 JKGE COc1c(Cl)cc(-c2csc(/C(C#N)=C/c3cc(Br)ccc3F)n2)cc1Cl 1872794620 MQSSEBDGNGEELD-UUILKARUSA-N 484.177 7.091 50 10 JKGE COc1ccc(OC)c(-c2csc(/C(C#N)=C(\O)CCCOc3ccccc3Cl)n2)c1 1873920215 AIEUTLTWQCKHCJ-JZJYNLBNSA-N 456.951 6.133 50 10 JKGE C[C@@H](CCBr)N(Cc1ccccc1)S(=O)(=O)c1ccc(Br)cc1Cl 1915095205 SSGCDAQMZBVGMJ-ZDUSSCGKSA-N 495.664 5.467 50 10 JKGE CC(C)(CBr)N(Cc1ccccc1)C(=O)c1ccc(Br)cc1Cl 1915754144 RQDDFGUWFQFWNO-UHFFFAOYSA-N 459.609 5.918 50 10 JKGE Cc1c(Br)sc([C@H](Br)[C@@H]2CC[C@H]3[C@@H](C2)C3(F)F)c1Br 1922929619 KQRMUXUQZDXWDT-IBCQBUCCSA-N 479.022 6.699 50 10 JKGE Cc1cc(Cl)ccc1[C@H](Br)c1sc(Br)c(C)c1Br 1922953353 CEHNZLGNIXKVIQ-NSHDSACASA-N 473.455 7.028 50 10 JKGE Clc1c(Br)sc(Br)c1[C@@H](Br)[C@@H]1CC2CCC1CC2 1923038964 LZZVSDFJIXWWAE-VUMZSGCYSA-N 477.487 7.189 50 10 JKGE Clc1ccc([C@@H](Br)c2c(Br)sc(Br)c2Cl)cc1 1923050574 XBDXXEQOGQZDKB-MRVPVSSYSA-N 479.846 7.064 50 10 JKGE FC(F)(F)c1cscc1[C@@H](Cl)c1c(Br)sc(Br)c1Cl 1923068762 WCADWHHOWYMIHR-ZCFIWIBFSA-N 474.976 7.335 50 10 JKGE C[C@]1([C@@H](Cl)c2c(Br)sc(Br)c2Br)CC1(F)F 1924568289 DRTMLVDWKBPVJM-YLWLKBPMSA-N 459.375 6.361 50 10 JKGE CCCC[C@H](C)[C@H](Cl)c1c(Br)sc(Br)c1Br 1924581252 ZCBZCCXFBCWMTN-RCOVLWMOSA-N 453.465 7.142 50 10 JKGE C[C@@H]1CCC[C@@H]([C@H](Cl)c2c(Br)sc(Br)c2Br)C1 1924605767 WVJWIUIWQFRIJA-XSSZXYGBSA-N 465.476 7.142 50 10 JKGE CC1(C)CC(C)([C@H](Cl)c2c(Br)sc(Br)c2Br)C1 1924616733 SERZBMNNMHTRHJ-MRVPVSSYSA-N 465.476 7.142 50 10 JKGE Cl[C@H](Cc1ncccc1Br)c1cc(Br)cc(Br)c1 1924863111 XYHGTYCYZXZLEI-GFCCVEGCSA-N 454.387 5.892 50 10 JKGE C[C@]1(C(F)(F)F)C[C@H]1[C@H](Br)c1cc(Br)sc1Br 1998660005 FEEZNJCDHJDLRI-KWPFTWCOSA-N 456.947 6.298 50 10 JKGE Cc1cc(Br)c(CBr)c(N2CC[C@@H](N(C)Cc3ccccc3)C2)c1 2005453469 YYIFFPTZCFGXHJ-QGZVFWFLSA-N 452.234 5.363 50 10 JKGE Clc1ccccc1[C@H](CI)OCCOCCOCc1ccccc1 2007814591 UCVJGUHLJNPFHP-IBGZPJMESA-N 460.739 5.066 50 10 JKGE BrCc1ccc(N2C[C@H]3CCN(Cc4ccccc4)[C@H]3C2)cc1Br 2015063841 AQCSJHGTEXUTLT-XLIONFOSSA-N 450.218 5.055 50 10 JKGE FC1(F)CC2(C[C@@H]2[C@@H](Br)c2sc(Br)cc2Br)C1 2015435818 QNANLPCYMXGBSK-SVGQVSJJSA-N 450.968 6.145 50 10 JKGE COc1sc([C@H](Br)c2c(F)cccc2Br)cc1Br 2034628984 JPJIXWKUWDKQPT-NSHDSACASA-N 458.972 5.905 50 10 JKGE Cc1sc(Br)c([C@H](Cl)c2cc(Br)ccc2Br)c1C 2039501508 XYMCLQXFMDQBHE-GFCCVEGCSA-N 473.455 6.981 50 10 JKGE Cc1cc([C@@H](Br)c2cc(Br)c(Cl)s2)c(C)cc1Br 2052450180 JTDKCCDTXHRSJK-GFCCVEGCSA-N 473.455 7.028 50 10 JKGE Cc1cc(F)c(F)cc1[C@H](Br)c1scc(Br)c1Br 2083943914 BYVVIWLPTHVHCN-JTQLQIEISA-N 460.963 6.344 50 10 JKGE C[C@@H]1Cc2cc([C@H](Br)c3occc3Br)cc(Br)c2O1 2090470552 OZABOLNSHNVWFY-KRTXAFLBSA-N 450.952 5.612 50 10 JKGE Fc1cc([C@@H](Br)c2cc(C3CC3)c(Br)s2)ccc1Br 2094673723 OAXFMEFGDBYHMN-CYBMUJFWSA-N 469.011 6.774 50 10 JKGE O=C(c1cc(Br)sc1Br)N1[C@H]2CCC[C@H](Br)[C@H]1CC2 2097812373 QCKFOGQUPVIECX-UJNFCWOMSA-N 472.040 5.194 50 10 JKGE Clc1ccc(I)c(CN2CC3(CC[C@H]2CBr)CC3)c1 2097881613 HSDFXTQHNTYWIU-ZDUSSCGKSA-N 454.577 5.084 50 10 JKGE C[C@@H](CCCCCBr)NC(=O)c1cc(Br)ccc1Br 2117892879 GCVCALVXZBZXGX-JTQLQIEISA-N 456.016 5.285 50 10 JKGE CC(C)[C@H](C)N(Cc1ccccc1)S(=O)(=O)c1cc(Cl)cc(CBr)c1Cl 2123267059 CEWJWOGXLVXKSO-AWEZNQCLSA-N 479.267 6.124 50 10 JKGE FC(F)(F)[C@H]1CN(Cc2ccccc2)CCN1c1ccc(CBr)c(Br)c1 2130159658 MVJKEWGLRRIKKK-GOSISDBHSA-N 492.177 5.597 50 10 JKGE ClC[C@H](CC1CCCCC1)Nc1ncc(I)cc1Br 2133384620 MFJFIEICUDMGGX-LBPRGKRZSA-N 457.581 5.438 50 10 JKGE Cc1cc(Br)c(C)c([C@H](Br)C23COC(C)(C2)C3)c1Br 2136369686 FOGNUQFDMGXNTI-NFOMZHRRSA-N 453.012 5.834 50 10 JKGE Cc1cc(Br)c(C)c([C@H](Br)CC2CCCCC2)c1Br 2136378699 FROQVPSOKSDFKM-CQSZACIVSA-N 453.056 7.235 50 10 JKGE Cc1cc(Br)c(C)c([C@H](Br)c2ccccc2F)c1Br 2136378892 GRBWXVVLAQPEAT-OAHLLOKOSA-N 450.971 6.452 50 10 JKGE COc1cc(Cl)c([C@H](Br)c2scc(Cl)c2Cl)cc1Br 2137654368 IARZRYKXCWOAJN-JTQLQIEISA-N 465.421 6.964 50 10 JKGE FC(F)(F)C([C@H](Br)c1ccc(Br)cc1Br)C(F)(F)F 2138848955 CHEGRPKHPCYZCO-SSDOTTSWSA-N 478.850 6.388 50 10 JKGE Brc1ccc([C@@H](Br)c2cc3ncccc3s2)c(Br)c1 2138872844 MNXQMJMPVLGYIL-CQSZACIVSA-N 462.004 6.306 50 10 JKGE Cc1cccc(CBr)c1OCc1ccc(I)c(Cl)c1 2142946475 JYIUJXOHNAYDRO-UHFFFAOYSA-N 451.529 5.727 50 10 JKGE Clc1cc2c(c([C@@H](Br)Cc3ccccc3I)c1)OCC2 2143869277 XNMXFXGLWOAAGM-AWEZNQCLSA-N 463.540 5.558 50 10 JKGE Brc1ccc(Br)c([C@H](Br)c2cccc3c2CCCC3)c1 2146386445 KVCMTRHHGBDUKP-QGZVFWFLSA-N 459.019 6.575 50 10 JKGE O=C(N[C@H]1CCCC[C@H]1CCBr)c1cc(Cl)ccc1I 2146718809 KCBNUFSVRKEHPH-HZMBPMFUSA-N 470.576 5.018 50 10 JKGE O=C(c1csc(Br)c1Br)N1CC2(CCC2)CC[C@@H]1CBr 2152050327 RGDGKUDZAQNEIU-SECBINFHSA-N 486.067 5.443 50 10 JKGE C[C@H]1Cc2cc([C@H](Br)c3scc(Cl)c3Cl)cc(Br)c2O1 2152528472 VJWFPJLKSRLRMR-KGFZYKRKSA-N 457.014 6.625 50 10 JKGE Cc1c(Br)sc([C@H](Br)[C@H]2CCC[C@@]3(C2)CC3(F)F)c1Br 2156116482 LBGGFDXYYDCYAV-IYYTYJHQSA-N 493.049 7.233 50 10 JKGE FC1(F)[C@H]2CC(COc3c(Br)cc(Br)cc3CBr)C[C@@H]21 2164326191 DTPAMEQXMDIGRH-QWRGUYRKSA-N 474.965 5.777 50 10 JKGE FC1(F)CN(Cc2ccccc2)CCCCN(c2cc(Br)ccc2CCl)C1 2164875199 KUNUALWTEWRCLT-UHFFFAOYSA-N 457.790 5.926 50 10 JKGE Clc1ccc(Br)cc1C[C@H](CBr)Cc1ccccc1Br 2166830588 HNXBXLPBPGHCMQ-LLVKDONJSA-N 481.453 6.661 50 10 JKGE Fc1cc(Br)c([C@H](Br)c2c(Cl)cccc2Br)c(F)c1F 2169463180 ANEODOKMGBGCKV-LLVKDONJSA-N 493.342 6.767 50 10 JKGE Cc1cc(Br)c([C@@H](Br)c2ccc3sncc3c2)cc1Br 2177170553 VDDLRKJSHFSPSY-HNNXBMFYSA-N 476.031 6.614 50 10 JKGE COc1cc(Cl)c([C@@H](Br)c2c(C)cccc2Br)cc1Br 2202352814 PGRXURIIHYDMTO-OAHLLOKOSA-N 483.425 6.666 50 10 JKGE COc1cc(Cl)c([C@@H](Br)c2cc(Br)ccc2C)cc1Br 2202354282 WRFITXGZLMENKQ-HNNXBMFYSA-N 483.425 6.666 50 10 JKGE Brc1ccc([C@@H](Br)[C@H]2CCOc3ccccc32)c(Br)c1 2203685706 LFKCSJYKVYRARU-LRDDRELGSA-N 460.991 6.214 50 10 JKGE Cc1c(Br)ccc([C@H](Br)C2(C(F)(F)F)CCCC2)c1Br 2203703785 KPPPRALCDLUXEM-LBPRGKRZSA-N 478.972 7.079 50 10 JKGE COc1c(Br)cc(C)cc1[C@H](Br)Cc1cccc(Br)c1 2203824704 OXSSHOMEWLXARW-CQSZACIVSA-N 463.007 6.207 50 10 JKGE Clc1ccc(I)c(CN2CC[C@@H]3CC[C@H](Br)C[C@@H]3C2)c1 2204105855 NUDLRHCLLLACBF-SCRDCRAPSA-N 468.604 5.330 50 10 JKGE COc1cc(F)c(F)cc1[C@@H](Br)c1cccc(C)c1I 2204493631 DSMYXVDDBYFXCS-AWEZNQCLSA-N 453.064 5.371 50 10 JKGE FC1(F)CC[C@@H](c2sc(Br)c(Br)c2Br)[C@@H]1Cl 2212200467 MUOFCFOBMQQUGZ-NOWQDGDBSA-N 459.375 6.156 50 10 JKGE Fc1cc(F)c([C@@H](Br)c2ccsc2Br)c(F)c1Br 2220511539 XSVSCKBBDYJHSB-QMMMGPOBSA-N 464.926 6.175 50 10 JKGE Brc1csc([C@H](Br)c2ccc3c(c2Br)CCO3)c1 2222187543 IIUHZSCLUZELFR-CYBMUJFWSA-N 452.993 5.692 50 10 JKGE Cc1ccc([C@H](C)[C@@H](Br)c2cc(Br)sc2Br)cc1 2223968034 IGARTVDSEQDMBB-TVQRCGJNSA-N 453.037 6.821 50 10 JKGE Clc1cc(Br)c([C@@H](Cl)c2c(Cl)cccc2Br)c(Cl)c1Cl 2232511130 JJYAPRYLGYOENC-LBPRGKRZSA-N 498.256 8.153 50 10 JKGE Clc1cc(Br)c([C@@H](Br)[C@H]2CC[C@H]3C[C@H]2CO3)c(Cl)c1Cl 2232518413 CAKBHQMVRFBAGA-QZOVBDONSA-N 463.424 6.660 50 10 JKGE Cc1cc(Br)c([C@H](Br)c2ccc(F)c(F)c2)c(C)c1Br 2235607567 ZRLIQKUFKGJDBB-OAHLLOKOSA-N 468.961 6.591 50 10 JKGE COc1ccc([C@@H](Br)c2sncc2Br)cc1I 2248896793 VGOWVRJVOOHLDQ-SNVBAGLBSA-N 488.970 5.003 50 10 JKGE Cn1nc([C@@H](Br)Cc2cc(Br)cc(Br)c2)cc1Cl 2263515312 MZBJRHWDIDTCFS-JTQLQIEISA-N 457.391 5.277 50 10 JKGE COc1ccc([C@@H](Br)c2ccc(Cl)c(I)c2)cc1Cl 2268278710 OWAHGHJOLPHISK-CQSZACIVSA-N 471.947 6.091 50 10 JKGE C[C@H]1OC2([C@H](Br)c3c(F)cc(Br)c(F)c3Br)CC1C2 2272848177 SKAYTWKPQYTIGB-MGYHHOBMSA-N 460.938 5.493 50 10 JKGE COc1c(C)cc(C)cc1[C@H](Br)c1ccc(Br)cc1Br 2295301739 PIHFIJFFMORNAK-OAHLLOKOSA-N 463.007 6.321 50 10 JKGE Cc1ccc(NC(SCc2ccccc2Cl)=C(C#N)S(=O)(=O)c2ccccc2)c(C)c1 2297350052 QGNBKYKPMBKZJH-UHFFFAOYSA-N 469.031 6.469 50 10 JKGE CCOc1cc(C=C(C#N)c2ccc(C#N)cc2)cc(Br)c1OCc1ccccc1 2297378061 NBIDEHMHOKWXKI-UHFFFAOYSA-N 459.343 6.363 50 10 JKGE N#CC(=Cc1ccc(-c2ccc([N+](=O)[O-])cc2Cl)o1)C(=O)Nc1ccc(Br)cc1F 2297551443 KSGYEWPHCBATMR-UHFFFAOYSA-N 490.672 5.955 50 10 JKGE FC1(F)CC[C@H]1C[C@@H](Br)c1c(Br)sc(Br)c1Cl 2299036101 VAIYAYAEFGQQSQ-CRCLSJGQSA-N 473.402 6.798 50 10 JKGE BrCC1(COCc2cc(I)ccc2Br)CCC1 2302645622 BBAUOGFJOIBZRI-UHFFFAOYSA-N 473.974 5.136 50 10 JKGE Brc1cc(OCc2ccccc2)ccc1[C@H](Br)C1[C@H]2[C@H]3CC[C@@H](C3)[C@H]12 2314448296 GROLRTZIIODTPC-IXWVJFEVSA-N 462.225 6.756 50 10 JKGE C[C@@H](c1ccccc1)[C@H](Br)c1cc(Br)ccc1OCc1ccccc1 2314449072 MYMYNNWDBNJOCL-AOMKIAJQSA-N 460.209 7.268 50 10 JKGE Brc1ccc(OCc2ccccc2)c([C@@H](Br)CC[C@@H]2CCCCO2)c1 2314449214 OCWBDUMPOPKRLW-ICSRJNTNSA-N 468.229 6.813 50 10 JKGE N#CC(=Cc1ccc(-c2cc(Cl)ccc2Cl)o1)C(=O)Nc1ccccc1C(F)(F)F 2314571903 OIPFMFNYVGJCPY-UHFFFAOYSA-N 451.231 6.818 50 10 JKGE CCc1ccc(N2C(=O)[C@@H](Cc3ccc(F)cc3)SC2=C(C#N)C(=O)Nc2ccc(C)cc2)cc1 2314592668 ZWCJCOXUBQNSJA-RUZDIDTESA-N 485.584 5.762 50 10 JKGE COc1ccc(C=CC(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@@H]3c2ccc(C(C)(C)C)cc2)cc1 2314634203 ANPWKCFSNSPETH-MUUNZHRXSA-N 480.564 5.830 50 10 JKGE CCCOc1ccccc1C=C(C#N)C(=O)Nc1nc(-c2ccc(Br)cc2)c(CC)s1 2314795948 HLYQLVMCYSLQAH-UHFFFAOYSA-N 496.430 6.469 50 10 JKGE CCCc1sc(Br)cc1[C@H](Br)c1cc(Br)c(Cl)s1 2316179958 JSMXYDUVRNXFOP-NSHDSACASA-N 493.511 7.425 50 10 JKGE Fc1cc(F)c([C@@H](Br)c2sc(Cl)cc2I)cc1F 2316601650 WAQLDDNLKVHLLY-SNVBAGLBSA-N 467.475 5.908 50 10 JKGE CC(C)(C)OC(=O)N1CCC[C@H](C(=O)NN=Cc2cccc(OCc3cccc(Cl)c3)c2)C1 2321721584 OPLNTSZJGRJGOW-FQEVSTJZSA-N 471.985 5.016 50 10 JKGE N#CC(=CNCCc1ccccc1Br)C(=O)NC1CCCCCCCCCCC1 2325489085 FXHZTQRYDIGCQX-UHFFFAOYSA-N 460.460 5.778 50 10 JKGE CCOC(=O)c1c(NC(=O)C(C#N)=Cc2ccc(Br)cc2)sc2c1CCCC2 2329663781 PSDIAZVJYRVIJA-UHFFFAOYSA-N 459.365 5.112 50 10 JKGE COc1ccc(-c2csc(C(C#N)=C(O)C=Cc3cc(OC)c(OC)c(OC)c3)n2)c(C)c1C 2331362206 IWMFRVJNOGHZBL-UHFFFAOYSA-N 478.570 5.967 50 10 JKGE COc1cccc(-c2csc(C(C#N)=Cc3ccc(OCCc4ccccc4)c(OC)c3)n2)c1 2331418515 WJVKYWWCSWRISN-UHFFFAOYSA-N 468.578 6.513 50 10 JKGE COc1cc(C=C(C#N)c2nc(-c3cc(Cl)cc(Cl)c3OC)cs2)ccc1OC(C)C 2331467693 UZXKNHKBLBWATF-UHFFFAOYSA-N 475.397 6.985 50 10 JKGE Cc1cc(Br)c(C)c([C@@H](Br)C[C@@H]2CC[C@@H]3C[C@H]23)c1Br 2332925513 KEFKYGUEXBOHMX-UHXUPSOCSA-N 451.040 6.701 50 10 JKGE Cn1ncc([C@H](Br)c2c(F)cc(Cl)c(Br)c2Cl)c1Br 2335298925 JMVMVOSFCZIXHS-QMMMGPOBSA-N 495.799 5.875 50 10 JKGE Brc1ccc(OCc2ccccc2)c([C@H](Br)[C@H]2C[C@H]2c2ccccc2)c1 2336046035 ARBDETJRVRMZOX-SXWKCWPCSA-N 472.220 7.268 50 10 JKGE Brc1cc(OCc2ccccc2)ccc1[C@H](Br)c1cc2c(s1)CCCC2 2336049646 FABPHJSJOSTDPA-QFIPXVFZSA-N 492.276 7.453 50 10 JKGE CC(C)[C@@H]1CC[C@H](Br)[C@H](Cc2ccc(Cl)c(I)c2)C1 2337272073 DOENAAYPZWNJTC-MCIONIFRSA-N 455.605 6.323 50 10 JKGE Cc1c(F)ccc([C@@H](Br)c2sc(Br)c(C)c2Br)c1Cl 2338766522 WVZYFKLPKZAVFO-SNVBAGLBSA-N 491.445 7.167 50 10 JKGE COc1c(Br)cc(C)c([C@H](Br)[C@@H]2[C@H]3CCC[C@H]32)c1Br 2339656769 QUPIHYYRECGBHD-ZFWZSOMGSA-N 453.012 6.011 50 10 JKGE CC1(C)CCC[C@H]([C@@H](Br)c2c(Cl)cc(Br)c(F)c2Br)O1 2362233536 BJYHWNFLKKTBCQ-MWLCHTKSSA-N 493.436 6.788 50 10 JKGE COC1CC2(C1)CC(CBr)(Cc1ccc(Cl)c(I)c1)C2 2362372588 CPTJMYBKLBNIPO-UHFFFAOYSA-N 469.588 5.457 50 10 JKGE COc1c(Br)cc(Cl)c(C)c1[C@@H](Cl)c1csc(C)c1Br 2369483325 WYSBRTMJMJFSKZ-ZDUSSCGKSA-N 459.030 6.880 50 10 JKGE CN(CC[C@H](Cl)c1cccs1)Cc1ccc(I)c(Br)c1 2377354433 WCNMLXGEHCWFGF-ZDUSSCGKSA-N 484.628 5.917 50 10 JKGE Cc1cc(Br)c(C(C)C)cc1[C@@H](Br)c1scc(C)c1Br 2380946831 KQIFMRQKYAXUGM-OAHLLOKOSA-N 481.091 7.498 50 10 JKGE CC(C)CCN1C(=O)/C(=N/NC(=O)c2cc(-c3cccs3)nc3ccccc23)c2ccccc21 6170947 NWXWMMOLTLXUFI-XLVZBRSZSA-N 468.582 5.490 50 10 JKGE CCCCCCN1C(=O)C(C#N)=C(C)/C(=C\c2ccc(OCc3ccccc3Cl)cc2)C1=O 38604211 YSPOASQIJAHWKR-XQNSMLJCSA-N 462.977 6.092 50 10 JKGE CCCOc1ccc(C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@@H]3c2cccc(Cl)c2)cc1 38651195 MXOOWEADWRLTJG-XMMPIXPASA-N 460.917 5.566 50 10 JKGE Cc1cc(OCC(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@@H]3c2ccc(Cl)cc2)cc(C)c1Cl 38651385 HBCMGLHCTPMQCM-XMMPIXPASA-N 495.362 5.813 50 10 JKGE CCCOc1ccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4cccs4)ccc32)cc1OCC 38683854 BLDHMNIHYOHQBU-DEOSSOPVSA-N 476.554 5.373 50 10 JKGE Cc1cc2oc(C(=O)Oc3ccc4c(c3)OC(N)=C(C#N)[C@H]4c3cccc([N+](=O)[O-])c3)c(C)c2cc1C 38688142 BQUBBJRNEFBYQX-VWLOTQADSA-N 495.491 5.704 50 10 JKGE Cc1ccc(NC(=O)/C(C#N)=C\c2c(Oc3ccc(Cl)c(C)c3)nc3c(C)cccn3c2=O)cc1C 39858759 VRHHUAREDOVFEY-ZHZULCJRSA-N 498.970 5.920 50 10 JKGE Cc1cc(Cl)ccc1Nc1ncnc(NNC(=O)C(c2ccccc2)c2ccccc2)c1N 40703383 XLXFESLHWBBOOV-UHFFFAOYSA-N 458.953 5.039 50 10 JKGE CCCCCOc1ccc(/C=N/NC(=O)COc2ccc(CCC)cc2Br)cc1OC 40960093 ZNQQKGXKUBDPBD-WGOQTCKBSA-N 491.426 5.508 50 10 JKGE CCN(CC)c1ccc(/C=N/NC(=O)c2ccc(OCc3ccc(Cl)cc3Cl)cc2)cc1 48573259 NZXKBRCDDYNIOZ-LQKURTRISA-N 470.400 6.183 50 10 JKGE CCc1cc([N+](=O)[O-])ccc1-c1ccc(/C=C(\C#N)C(=O)Nc2ccc(Br)c(C)c2)o1 58833185 IOTRCWAPAIGZMJ-FOWTUZBSSA-N 480.318 6.034 50 10 JKGE N#C/C(=C/c1ccccc1OCc1ccc(Br)cc1)C(=O)Nc1cccc([N+](=O)[O-])c1 59224937 ARRPQKZMHQLRSN-PDGQHHTCSA-N 478.302 5.482 50 10 JKGE CCOC(=O)/C(C#N)=C/c1cc(Br)c(OCc2ccc(Cl)cc2Cl)c(OCC)c1 59485070 GVYZMHQOMGILIQ-VIZOYTHASA-N 499.188 6.204 50 10 JKGE C[C@H](c1ccc(Cl)s1)n1c(CCCl)nc2cc(I)ccc21 97354350 YLSMBSPCWSBRNV-SECBINFHSA-N 451.160 5.746 50 10 JKGE CNC(=O)/C(C#N)=C1\S[C@H](Cc2ccc(Cl)c(Cl)c2)C(=O)N1c1ccc(C(C)C)cc1 101240539 WOOQVHGBRXBZEM-AKWGVZKHSA-N 474.413 5.289 50 10 JKGE N#C/C(C(=O)NCc1ccccc1)=C1\S[C@@H](Cc2ccc(F)cc2)C(=O)N1c1ccc(Cl)cc1 102974529 HOMPCDJDJODJME-GPSDDGMOSA-N 491.975 5.222 50 10 JKGE Fc1cc(Cl)ccc1[C@H](Br)c1cc(Br)sc1Br 109869937 CHZJYYFEEMCXJK-JTQLQIEISA-N 463.391 6.550 50 10 JKGE Oc1cccc(CC(CBr)(CBr)c2cccc(Br)c2)c1 127193100 VIVFHTQEHRLOAW-UHFFFAOYSA-N 463.007 5.425 50 10 JKGE Cc1cc(Br)c([C@H](Br)c2ccccc2Cl)cc1Br 128729834 NKRFGPJHYMXLQG-CQSZACIVSA-N 453.399 6.658 50 10 JKGE COc1ccc([C@@H](Br)c2cc(C)c(Br)s2)cc1Br 147522781 GKANDMQXDBPWCB-GFCCVEGCSA-N 455.009 6.074 50 10 JKGE O=C(c1cc(Br)c(Br)s1)N1CCCCC[C@@H]1CBr 157711155 XCWXCMLMYFFDJW-MRVPVSSYSA-N 460.029 5.053 50 10 JKGE Cc1sc([C@@H](Br)c2cc(C(F)(F)F)ccc2Br)cc1Br 227833127 LSUWSSDLWHOALB-LBPRGKRZSA-N 492.980 7.085 50 10 JKGE Brc1ccc(Br)c([C@H](Br)c2csc(Br)c2)c1 232484054 PBTGSZGTWYYRGX-LLVKDONJSA-N 489.852 6.520 50 10 JKGE Fc1ccc([C@H](Br)c2ccc(Cl)cc2Cl)c(I)c1 236249665 KQDQYSNERGHLRJ-CYBMUJFWSA-N 459.911 6.221 50 10 JKGE Cc1ccsc1C=NNC(=O)CSc1nc2ccccc2n1Cc1ccccc1Cl 252601410 FACWRXHIMARAHI-UHFFFAOYSA-N 455.008 5.350 50 10 JKGE CCOc1cc(C=NNC(=O)CNc2ccc(C)cc2)ccc1OC(=O)c1cccc2ccccc12 254353458 XNKWJSMNBBDAOC-UHFFFAOYSA-N 481.552 5.328 50 10 JKGE CN1C(=O)C(=NNC(=O)c2ccc(COc3ccccc3-c3ccccc3)cc2)c2ccccc21 254401095 ZFZFYNZAEKNOEX-UHFFFAOYSA-N 461.521 5.043 50 10 JKGE O=C(COc1ccc(-c2ccccc2)cc1)NN=Cc1ccc(OC(=O)/C=C/c2ccccc2)cc1 254409335 PJCQROVUNVBOGA-GOPXYUCVSA-N 476.532 5.502 50 10 JKGE COc1c(Br)cc(Cl)cc1[C@H](Cl)c1sccc1I 311038141 GBZBUAJWGNKVJO-JTQLQIEISA-N 477.976 6.105 50 10 JKGE O=C(NC[C@@H]1CCC[C@H](CBr)C1)c1cc(Br)cc(Br)c1 312303281 OBGSCZXVFUOLDG-WDEREUQCSA-N 468.027 5.143 50 10 JKGE C[C@H]1CN(Cc2ccccc2)CCCN1c1ccc(CBr)c(Br)c1 382653791 FUCXXHRRSUFOFX-INIZCTEOSA-N 452.234 5.445 50 10 JKGE C[C@@H](c1ccccc1)N1CCCO[P@]1(=O)N(CCCl)CCO[Si](C)(C)C(C)(C)C 504627063 NHGIEBZSYGSGFI-HMILPKGGSA-N 461.059 6.141 50 10 JKGE in-vitro FC(F)(F)c1csc([C@H](Br)c2cc3cscc3s2)c1Br 694377115 BJXZDGPYLRUWPM-SNVBAGLBSA-N 462.175 7.290 50 10 JKGE COc1ccc(Br)cc1Oc1ccc(Br)cc1CBr 700802147 JGKHCSUATXCWJN-UHFFFAOYSA-N 450.952 5.907 50 10 JKGE C[C@@]12CN(Cc3ccccc3)C[C@@]1(C)CN(c1ccc(CBr)cc1Br)C2 705953104 FMRFLBVKNUZSNR-VXKWHMMOSA-N 478.272 5.692 50 10 JKGE CN(Cc1ccccc1)C(C)(C)Cn1c(CCCl)nc2cc(I)c(F)cc21 714232629 AIMYJTSNKBOWGG-UHFFFAOYSA-N 499.799 5.472 50 10 JKGE CCOc1ccccc1NC(=O)C(=O)NN=Cc1cccc(OCc2c(Cl)cccc2Cl)c1 1084023776 PVYHSESZBDHPON-UHFFFAOYSA-N 486.355 5.060 50 10 JKGE COc1cc(/C=C(/C#N)C(=O)NCc2cccs2)ccc1OCc1cccc2ccccc12 1084249673 ILGDGPXRFHDQKK-HMAPJEAMSA-N 454.551 5.712 50 10 JKGE Cc1ccc(C(=O)NN=Cc2cc(-c3ccccc3)n(-c3ccc(Cl)cc3)c2-c2ccccc2)cc1 1084301028 UCLCCGRVUYPLES-UHFFFAOYSA-N 490.006 7.537 50 10 JKGE C=CCc1cc(/C=C(\C#N)C(=O)Nc2cccc(Cl)c2Cl)cc(OCC)c1OCC(=O)OC 1084321618 QNHPSRPFQAFPSU-GZTJUZNOSA-N 489.355 5.218 50 10 JKGE N#CSc1ccc(NC(=O)c2cc(CCc3ccccc3)n(Cc3cccc(F)c3)n2)cc1 1862326778 KYCLAUCDAMAGQN-UHFFFAOYSA-N 456.546 5.681 50 10 JKGE N#CC1=C(N)Oc2c(c(-c3ccccc3)nn2-c2cccc(Cl)c2)[C@H]1c1cccc(Cl)c1 1865683362 JWUYMIHTQVJLTE-NRFANRHFSA-N 459.336 6.064 50 10 JKGE COc1ccc(-c2nn(Cc3ccccc3F)c3c2[C@H](c2cccc(Cl)c2)C(C#N)=C(N)O3)cc1 1865684260 OXJHUUPTZJGPPZ-HSZRJFAPSA-N 486.934 5.618 50 10 JKGE CC(C)c1ccc([C@H]2C(C#N)=C(N)Oc3c2c(-c2ccccc2)nn3-c2cccc(Cl)c2)cc1 1865686715 ZQRUJJZQOCAKNL-DEOSSOPVSA-N 466.972 6.534 50 10 JKGE CCCCOc1ccc([C@H]2C(C#N)=C(N)Oc3c2c(CCC)nn3-c2cccc3ccccc23)cc1 1865691955 GBFARMIRMZRMPJ-MHZLTWQESA-N 478.596 6.375 50 10 JKGE CCn1nc(-c2ccc(OC)cc2)c2c1OC(N)=C(C#N)[C@@H]2c1cccc(OCc2ccccc2)c1 1865712239 SSFUVLXMVNHMMQ-VWLOTQADSA-N 478.552 5.376 50 10 JKGE Cc1ccc([C@@H](CC(=O)N[C@@H](C(=O)Nc2ccc(SC#N)cc2)c2ccccc2)C(C)C)cc1 1866735217 GDGSTIJEKNTLSH-AHKZPQOWSA-N 471.626 6.194 50 10 JKGE COc1cc(/C=C(\C#N)c2ccc(Cl)cc2F)ccc1OCC(=O)Nc1ccc(C)cc1 1872729654 XECYUAWCVIZJQK-WOJGMQOQSA-N 450.897 5.878 50 10 JKGE CCc1ccc(-c2csc(/C(C#N)=C(O)/C(=C/c3ccc(OC(C)C)cc3)c3ccccc3)n2)cc1 1872744397 PZFVFHLULMQJHC-CDTUWOALSA-N 492.644 8.193 50 10 JKGE Cc1ccc(OC/C(O)=C(\C#N)c2nc(-c3ccc(Cl)cc3Cl)cs2)c(C(C)(C)C)c1 1872744939 PSOHTJQZCAPWLJ-FXBPSFAMSA-N 473.425 7.595 50 10 JKGE N#C/C(=C(/O)CCCOc1ccc(Cl)cc1Cl)c1nc(-c2ccc3c(c2)OCO3)cs1 1872752446 CGHJZBVODJXPBX-SDXDJHTJSA-N 475.353 6.497 50 10 JKGE C[C@H](Oc1ccc(Cl)cc1Br)/C(O)=C(\C#N)c1nc(-c2ccc(F)cc2)cs1 1872753391 UZKUQVFKQRJWJP-HSHIVQNRSA-N 479.758 6.625 50 10 JKGE COc1c(Cl)cc(Cl)cc1-c1csc(/C(C#N)=C(\O)c2cc(Cl)ccc2Cl)n1 1872754460 TZPMBSQFHOARAS-LGMDPLHJSA-N 472.180 7.382 50 10 JKGE CC[C@H](C)N1C(=O)c2ccc(/C(O)=C(\C#N)c3nc(-c4ccc(C)c(C)c4)cs3)cc2C1=O 1872756373 JEQIZJOWJBELBH-FRKCRFBYSA-N 457.555 5.771 50 10 JKGE Cc1ccc(-c2csc(/C(C#N)=C(O)/C(=C/c3ccc(OC(C)C)cc3)c3ccccc3)n2)cc1C 1872756689 VVKLTFACGGBJCS-OSJPICRCSA-N 492.644 8.248 50 10 JKGE N#C/C(=C\c1ccc(OCc2ccc(Cl)cc2)cc1)c1nc(-c2ccccc2Cl)cs1 1872780802 MDAWSNWWDWGCRN-CPNJWEJPSA-N 463.389 7.760 50 10 JKGE CC1(C)CC([C@H](Br)c2cc(Br)c(Br)s2)CC(C)(C)C1 1878994350 QQPPIDBVZDEJQA-LBPRGKRZSA-N 473.112 7.562 50 10 JKGE Clc1cc(I)c([C@@H](Cl)c2ccccc2I)s1 1900919747 PFKHUSGDYNTBIH-JTQLQIEISA-N 494.950 5.939 50 10 JKGE BrC[C@H](C1CC1)N(CCOc1cccc(Br)c1)Cc1ccccc1 1915218008 WDPXWJNEORDVHA-HXUWFJFHSA-N 453.218 5.504 50 10 JKGE Cl[C@H](c1ncsc1Br)c1sc(Br)cc1Br 1922896942 JNGSHQWJGMSNJZ-RXMQYKEDSA-N 452.418 5.820 50 10 JKGE COC1(C(F)(F)[C@H](Br)c2sc(Br)c(C)c2Br)CCC1 1922936841 XBALKTYIFFVSFM-SECBINFHSA-N 483.010 6.222 50 10 JKGE Cc1c(Br)sc([C@H](Br)c2ccc(F)cc2F)c1Br 1922955414 ZAXNYJFNOPGMLR-SNVBAGLBSA-N 460.963 6.344 50 10 JKGE Fc1cccc(F)c1[C@@H](Cl)c1c(Br)sc(Br)c1Br 1924590185 HWVYTVYOZDGXGR-SECBINFHSA-N 481.381 6.642 50 10 JKGE Fc1cccc([C@@H](Br)Cc2ncccc2Br)c1I 1924870106 DGSSJVSRSKYLOF-JTQLQIEISA-N 484.932 5.267 50 10 JKGE Clc1cc(Br)c([C@@H](Br)c2ccsc2Br)s1 1933598108 VMGOGVQYQJGKGQ-ZETCQYMHSA-N 451.430 6.472 50 10 JKGE Clc1ccc([C@@H](Br)c2csc(Br)c2Br)cc1Cl 1945190284 KKXAUMYBQMVPKW-SECBINFHSA-N 479.846 7.064 50 10 JKGE CCc1cc(Br)c([C@H](Br)c2cc(Br)sc2C)s1 1946647273 DFGPSMOJOMOGHE-LLVKDONJSA-N 459.066 6.690 50 10 JKGE Cl[C@H](CCC1CCC1)c1c(Br)sc(Br)c1Br 1976928438 IXFOWPLWIVCEST-SSDOTTSWSA-N 451.449 6.896 50 10 JKGE CCC(C)(CC)[C@@H](Cl)c1c(Br)sc(Br)c1Br 1985606637 YUBCRBCYVMGOHL-QMMMGPOBSA-N 453.465 7.142 50 10 JKGE CO[C@@H]1CC[C@H]1C[C@H](Cl)c1c(Br)sc(Br)c1Br 2013839922 TYTHMXCYTBGYOT-LYFYHCNISA-N 467.448 6.131 50 10 JKGE CCc1sc(Br)cc1[C@@H](Cl)c1cc(I)ccc1F 2050462041 AJSUVXGSYMNQDG-ZDUSSCGKSA-N 459.549 6.145 50 10 JKGE Fc1cc(C(F)(F)F)ccc1Cn1nc(CBr)c(Br)c1C(F)(F)F 2079231801 FSDWYNIBBAMPLW-UHFFFAOYSA-N 484.007 5.766 50 10 JKGE Fc1ccc([C@H](CBr)Cc2ccc(Br)cc2Br)cc1 2092262474 ZVRXVRVVKYZGJD-LBPRGKRZSA-N 450.971 6.072 50 10 JKGE BrCc1cc(Br)c(OCCS[C@H]2CCOC2)c(Br)c1 2092688635 GAVCFBATYHXPFT-JTQLQIEISA-N 475.040 5.007 50 10 JKGE C[C@H]1CCC[C@](CBr)(Cc2cc(Cl)ccc2I)CC1 2100839645 USASJTKDULXVRM-BLLLJJGKSA-N 455.605 6.469 50 10 JKGE CN(C[C@H](Br)C1CCCC1)C(=O)c1cc(Br)sc1Br 2111347339 AQGGTPIXBZYBSY-JTQLQIEISA-N 474.056 5.299 50 10 JKGE Brc1csc([C@H](Br)Cc2ccc3c(c2)CCO3)c1Br 2112342981 UMLXQWVOETYMQQ-SNVBAGLBSA-N 467.020 5.887 50 10 JKGE Fc1ccc(CC[C@@H](Br)c2ccccc2Br)cc1Br 2113441532 ITZXOGQZJBYAJL-CYBMUJFWSA-N 450.971 6.420 50 10 JKGE Clc1ccc(CC[C@@H](Br)c2ccc(Br)cc2)c(Br)c1 2113485342 PXFZHZCFDRUHDM-CQSZACIVSA-N 467.426 6.934 50 10 JKGE Cc1cc(Br)c([C@H](Br)[C@@H]2CCCOC2(C)C)cc1Br 2130462219 ROKTWIAKRSSCRT-FZMZJTMJSA-N 455.028 6.161 50 10 JKGE COc1c(Cl)cc(Br)cc1[C@@H](Br)c1ccccc1Br 2138241184 FASYXMJSUAPHEZ-ZDUSSCGKSA-N 469.398 6.358 50 10 JKGE C[C@@H]1[C@H](Br)C[C@H]2CC[C@H]1N2Cc1ccc(I)c(Cl)c1 2142942524 DSKPFRVJJCQNFA-SDBHATRESA-N 454.577 5.081 50 10 JKGE CC(C)(CC(CBr)(CBr)c1ccc(Br)cc1)C(F)(F)F 2150595100 YMDQWMVROVQWNY-UHFFFAOYSA-N 480.988 6.455 50 10 JKGE C[C@@H](Cl)c1nc2cc(Br)c(Cl)cc2n1Cc1nccn1Cc1ccccc1 2160078840 MJFRAMKZSQCEIH-CYBMUJFWSA-N 464.194 6.045 50 10 JKGE O=C(c1cc(Br)cc(C(F)(F)F)c1)N(Cc1ccccc1)[C@@H](CCl)C1CC1 2172408845 QQVCXDZVHPHGFU-SFHVURJKSA-N 460.721 6.128 50 10 JKGE COc1cc(Br)c([C@@H](Br)C2(Br)CCC2)c(OC)c1OC 2181951553 PNFXOTNEMTXIAQ-CYBMUJFWSA-N 472.999 5.229 50 10 JKGE FC(F)(F)[C@@H]1C[C@@H]1C[C@@H](Br)c1cc(I)cc2c1OCC2 2185214678 VNTDSLNKSQZCPF-GGZOMVNGSA-N 461.059 5.251 50 10 JKGE CCCNCc1cc(Br)c(OCC2CC(Br)C2)c(Br)c1 2196908031 VLJNXNBPMOGWAG-UHFFFAOYSA-N 470.043 5.264 50 10 JKGE COc1c(Cl)cc(Br)cc1[C@@H](Br)c1ccc(Br)c(F)c1 2203003110 QOFPOLLUCDCLGL-ZDUSSCGKSA-N 487.388 6.497 50 10 JKGE CCC[C@@H]1CN(C(=O)c2ccc(Br)cc2Br)C[C@H]1CBr 2205702958 LLHKBGQGCDHAFZ-GHMZBOCLSA-N 468.027 5.095 50 10 JKGE Cl[C@@H](c1ccc2c(c1)CCCO2)c1ccc(Br)cc1I 2207270843 DOXMEVJKFJVKBB-INIZCTEOSA-N 463.540 5.707 50 10 JKGE Cc1csc([C@H](Cl)c2cc(Br)c(Br)cc2F)c1Br 2218595800 ATNNTYGQDQTUDA-LLVKDONJSA-N 477.418 6.811 50 10 JKGE Cc1ccc([C@@H](Cl)c2c(C)sc(Br)c2C)cc1I 2218808191 OQQVCHFSMHWZJF-CYBMUJFWSA-N 455.586 6.369 50 10 JKGE C[C@@H]1C[C@@H](C[C@H](Br)c2c(Br)cc(Cl)c(Cl)c2Cl)CO1 2224301604 BYKWVNZUYHBGQB-CSMHCCOUSA-N 451.413 6.660 50 10 JKGE O=S1(=O)CCC[C@@H]1[C@H](Br)c1c(Br)cc(Cl)c(Cl)c1Cl 2224313441 TZUASLMSOOTEAY-APPZFPTMSA-N 471.425 5.423 50 10 JKGE CCOCc1cc(Br)c([C@@H](Br)c2scc(C)c2Br)s1 2224774896 RCTWAWVIZJAUKT-LLVKDONJSA-N 489.092 6.664 50 10 JKGE C[C@H]1O[C@@]2([C@@H](Br)c3cc(Br)c(Br)cc3F)CC[C@H]1C2 2225619576 KOPAMFAUXHQHJU-NENOFTIXSA-N 456.975 5.744 50 10 JKGE Cc1cc(Br)c([C@@H](Br)CC[C@H]2CCCCO2)c(C)c1Br 2235605220 QQTPWFJKCYYIEB-OLZOCXBDSA-N 469.055 6.614 50 10 JKGE COc1cc(Br)c([C@H](Br)c2ccc(Cl)c(Br)c2)cc1C 2236006022 AHJXVXSIPAJTNI-OAHLLOKOSA-N 483.425 6.666 50 10 JKGE Cc1cc([C@@H](Br)c2c(F)cccc2I)sc1Br 2247988192 RWFBSCYZCNFKHZ-LLVKDONJSA-N 489.973 6.047 50 10 JKGE Cl[C@@H](Cc1cc(Br)cc(Br)c1)c1cscc1Br 2252832008 WUUVTBZJXHHIGR-LBPRGKRZSA-N 459.428 6.558 50 10 JKGE Clc1cc(CBr)cc(Cl)c1OC[C@H]1CC1(Br)Br 2253299971 KUBHBXGQTLAJTL-SSDOTTSWSA-N 467.810 5.773 50 10 JKGE CCCc1ncc2nc(CCCl)n(CCCN(Cc3ccccc3)Cc3ccccc3)c2n1 2271115241 PGVBNFDZZFSUOP-UHFFFAOYSA-N 462.041 5.653 50 10 JKGE CCN[C@@H](c1c(F)cc(Br)c(F)c1Br)[C@H]1C[C@H](Br)C1 2272905260 YYEANLVRNNMZMP-FRSIUCEKSA-N 461.970 5.314 50 10 JKGE Cc1cc(Br)c([C@H](Br)C[C@H]2CCCC23CC3)c(C)c1Br 2281374713 ZKTMHHSBIYDPJC-TZMCWYRMSA-N 465.067 7.235 50 10 JKGE Fc1cc(Br)c(F)c(Br)c1[C@H](Br)C1(CC(F)(F)F)CC1 2288355817 GNCCUWPPNLMCRB-JTQLQIEISA-N 486.898 6.658 50 10 JKGE Fc1ccc(F)c([C@@H](Br)c2c(F)cc(Br)c(F)c2Br)c1 2288487968 CJGWYZHOOXVKHH-LLVKDONJSA-N 476.887 6.252 50 10 JKGE Cc1ccc(CNC(=O)C(C#N)=Cc2cn(-c3ccccc3)nc2-c2ccc(Cl)cc2)cc1 2295266136 APDQNEMEMLLNOM-UHFFFAOYSA-N 452.945 5.725 50 10 JKGE Fc1cc([C@H](Cl)Cc2cc(Br)cc(Br)c2)c(F)cc1Br 2295275059 QUZFQJJLMVYNSP-GFCCVEGCSA-N 489.379 6.775 50 10 JKGE COc1cccc(F)c1[C@@H](Br)Cc1cc(Br)cc(Br)c1 2295344907 FRXUKJCEHDVJTL-LBPRGKRZSA-N 466.970 6.038 50 10 JKGE CCc1nn(C)c([C@H](Br)c2cc3sc(Br)cc3s2)c1Br 2295415574 ZQCCSBZOCUHDCN-GFCCVEGCSA-N 499.091 6.268 50 10 JKGE Cc1cccc(Oc2nc3ccccn3c(=O)c2C=C(C#N)S(=O)(=O)c2ccc(Cl)cc2)c1C 2297318628 BVXQEEBQTUFLOG-UHFFFAOYSA-N 491.956 5.095 50 10 JKGE N#CC(=Cc1ccc(OCC(=O)Nc2ccc(F)cc2)c(Br)c1)c1ccc(Cl)cc1 2297368454 OAPQIAIDURZYRQ-UHFFFAOYSA-N 485.740 6.323 50 10 JKGE COc1ccc(C=C(NC(=O)c2ccccc2)C(=O)NN=Cc2c3ccccc3cc3ccccc23)cc1 2297450907 JYQAKTUQRVXMMI-UHFFFAOYSA-N 499.570 5.923 50 10 JKGE N#CC(=Cc1ccc(Oc2ccccc2)cc1)C(=O)Nc1cccc(I)c1 2297559062 IOQYIJBBSZIJAG-UHFFFAOYSA-N 466.278 5.629 50 10 JKGE CCCN[C@@H](c1cc(Br)ccc1OCc1ccccc1)[C@H]1C[C@@H](Br)C1 2314443955 LTQDQQRBCXXEMR-PLMTUMEDSA-N 467.245 6.242 50 10 JKGE CCOC(=O)c1ccc(-c2ccc(C=C(C#N)c3nc(-c4ccc5ccccc5c4)cs3)o2)cc1 2314456838 BITGINVZGXHLBD-UHFFFAOYSA-N 476.557 7.464 50 10 JKGE N#CC(=Cc1ccc(-c2ccc([N+](=O)[O-])cc2)o1)C(=O)Nc1ccc(C(F)(F)F)c(Cl)c1 2314571952 PHYGBJIVOAUSPP-UHFFFAOYSA-N 461.783 6.073 50 10 JKGE CCCOc1ccccc1C=C(C#N)C(=O)Nc1nc(-c2ccc(Br)cc2)cs1 2314774193 XDOPNOXORFGFGP-UHFFFAOYSA-N 468.376 5.907 50 10 JKGE CCc1cc([C@H](Br)c2c(Br)nc(C)n2C)sc1Br 2315632721 CZSJQMHZCTZCIB-VIFPVBQESA-N 457.029 5.362 50 10 JKGE COC1CC2(C1)CC([C@@H](Br)c1sc(Cl)cc1I)C2 2316600257 CLVANOZZOQFXSG-FGCOCLGUSA-N 461.590 5.647 50 10 JKGE COc1ccccc1C(C#N)=Cc1ccc(OC(=O)c2cc(C(F)(F)F)cc(C(F)(F)F)c2)cc1 2320507241 IBTMCTMFQOUKOT-UHFFFAOYSA-N 491.387 7.016 50 10 JKGE CC(C)(C)[C@H]1CCc2c(sc(NC(=O)C(C#N)=Cc3cccc(Br)c3)c2C(N)=O)C1 2329699966 HAJDETUYQWYTOQ-HNNXBMFYSA-N 486.435 5.306 50 10 JKGE N#CC(=C(O)[C@H]1CC(=O)N(Cc2ccccc2)C1)c1nc(-c2cccc3ccccc23)cs1 2331339129 JGEPQCOMQSNSJO-FQEVSTJZSA-N 451.551 5.805 50 10 JKGE COc1ccccc1-c1csc(C(C#N)=Cc2cccc(OC)c2OCc2cccc(C)c2)n1 2331436161 LLPWFJWWAKLOLP-UHFFFAOYSA-N 468.578 6.779 50 10 JKGE CCOc1cc(C=C(C#N)c2nc(-c3c[nH]c4ccccc34)cs2)ccc1OCc1ccccc1 2331460109 MLQXKXALSOZMHN-UHFFFAOYSA-N 477.589 7.333 50 10 JKGE CCOc1ccc(-c2csc(C(C#N)=Cc3c(OC)ccc4ccccc34)n2)c(OCC)c1 2331473632 PADXGZOALZQQHF-UHFFFAOYSA-N 456.567 6.833 50 10 JKGE CCN(Cc1ccccc1)c1ccc(C=C(C#N)c2nc(-c3cc(Cl)ccc3OC)cs2)cc1 2331491938 YKBFWQYZSYUBGG-UHFFFAOYSA-N 486.040 7.563 50 10 JKGE Brc1cc([C@@H](Br)[C@@H]2C[C@H]2C2CCCCCC2)c(Br)s1 2332687717 AWYFKJGCKLGYRW-WDMOLILDSA-N 471.096 7.316 50 10 JKGE Fc1cc(Cl)c(Br)c(Cl)c1[C@H](Cl)c1ccc(I)cc1 2335293612 JCGZHGPOFJYSTO-GFCCVEGCSA-N 494.356 6.828 50 10 JKGE CC[C@@H](CC(C)C)[C@@H](Br)c1c(C)cc(Br)c(F)c1Br 2339679124 KLRYYUMRUWSQPK-GXFFZTMASA-N 459.035 7.167 50 10 JKGE COc1c(Br)cc(C)c([C@@H](Br)C2(C)CCCC2)c1Br 2339688007 CAFYANFFAQOZPK-CQSZACIVSA-N 455.028 6.545 50 10 JKGE Clc1ccc(C[C@]2(CBr)CCO[C@H]2C2CC2)c(I)c1 2341053888 ZTKMPJWUCHFZOA-GJZGRUSLSA-N 455.561 5.067 50 10 JKGE C[C@@H](CCl)[C@@H]1CCCCN1Cc1ccc(I)c(Br)c1 2349831006 RLYAYRXIJOQTEP-NHYWBVRUSA-N 456.593 5.283 50 10 JKGE CCc1cc(Br)c(OC)c([C@@H](Cl)c2cc(I)sn2)c1 2353039081 BWMZAHFGKHBTPY-GFCCVEGCSA-N 472.573 5.409 50 10 JKGE CC1(C)CCC[C@@H]([C@H](Br)c2c(Cl)cc(Br)c(F)c2Br)O1 2362233537 BJYHWNFLKKTBCQ-ONGXEEELSA-N 493.436 6.788 50 10 JKGE Fc1c(Br)cc(Cl)c([C@H](Br)[C@@H]2[C@H]3CCC(F)(F)[C@@H]32)c1Br 2362235110 KIJFGNQCUFCPLG-VZNVGLHMSA-N 497.374 6.731 50 10 JKGE COc1ccc(C[C@H](Cl)c2cc(Br)ccc2Br)c(Br)c1 2364189098 WFLIUCYFOWWDLG-HNNXBMFYSA-N 483.425 6.505 50 10 JKGE C[C@H](Cl)CN(C(=O)c1ccc(I)c(Br)c1)C1CCCC1 2368850686 GGKNEOAVRRBQSY-JTQLQIEISA-N 470.576 5.066 50 10 JKGE FC(F)(F)[C@@H]1[C@@H](Br)CCCN1Cc1cc(Br)ccc1Br 2370294053 HGCMHIWFBAJPBS-RYUDHWBXSA-N 479.960 5.502 50 10 JKGE CN(Cc1ccc(I)c(Br)c1)[C@@H](CCl)c1ccccc1 2377351943 GQGBECYRBCAGJZ-INIZCTEOSA-N 464.572 5.466 50 10 JKGE C[C@H](COCc1ccc(I)c(Br)c1)c1nc(CCl)cs1 2377617370 USXSSGLGKLERSU-SECBINFHSA-N 486.600 5.569 50 10 JKGE Cc1cc(Br)c(C(C)C)cc1[C@H](Cl)c1scc(Br)c1Cl 2380938322 YBDDBRZBHKFUFQ-ZDUSSCGKSA-N 457.058 7.687 50 10 JKGE Cc1cc(Cl)c([C@@H](Br)Cc2ccc(Br)cc2Cl)c(Cl)c1 2381269106 KVMKVFCBGMDMIM-NSHDSACASA-N 457.420 7.396 50 10 JKGE COc1ccc(/C(C#N)=C\c2ccc(OC(=O)c3ccc(F)c(F)c3)c(OC)c2)cc1OC 31902102 ZEWUTJNJCZDMBB-ZDLGFXPLSA-N 451.425 5.274 50 10 JKGE Cc1cc([N+](=O)[O-])ccc1NC(=O)/C(C#N)=C\c1ccc(-c2ccc(Br)cc2)o1 33929996 HDOPSAYHIBQMLL-PTNGSMBKSA-N 452.264 5.471 50 10 JKGE Cc1ccc(C(=O)Nc2sc(/C(C#N)=C\C3=Cc4ccccc4O[C@@H]3C)nc2-c2ccccc2)cc1 34982862 CDJGNLDVDWTOEA-AUFPJITRSA-N 489.600 7.142 50 10 JKGE CCCn1c(-c2ccc(C(=O)NNC(=O)c3ccccc3Br)s2)nc2ccccc21 35554243 PVRYFKVHSBKGPL-UHFFFAOYSA-N 483.391 5.012 50 10 JKGE N#C/C(=C/c1ccc(-c2ccc([N+](=O)[O-])cc2Cl)o1)c1nc(-c2ccc(Cl)cc2)cs1 35568762 YEEOUURWJHQCQG-ZROIWOOFSA-N 468.321 7.349 50 10 JKGE CCc1ccc(O[C@@H](C)C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@@H]3c2ccc(Cl)cc2)cc1 38651411 ROBBGMMRJJNSNO-IVCQMTBJSA-N 474.944 5.493 50 10 JKGE CC(C)(C)c1ccc(C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@@H]3c2ccc(Cl)cc2Cl)cc1 38655123 VJMMTVVCSMVFLX-XMMPIXPASA-N 493.390 6.728 50 10 JKGE CCOc1ccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)COc4ccc(Cl)cc4C)ccc32)cc1 38685902 HNLGHQOXMZLBNM-SANMLTNESA-N 490.943 5.250 50 10 JKGE Cc1ccc(C)c(NC(=O)/C(C#N)=C/c2c(Oc3ccc(F)cc3)nc3c(C)cccn3c2=O)c1 39992977 PLOBVEGKQCLLHM-XMHGGMMESA-N 468.488 5.097 50 10 JKGE Cc1ccc(C(=O)NNc2ncnc(Nc3ccc(/N=N/c4ccccc4)cc3)c2[N+](=O)[O-])cc1 40645893 DAFPQKYYNZNEIB-ZQHSETAFSA-N 468.477 5.609 50 10 JKGE Cc1c(C(=O)N2CCCc3ccccc32)oc2c1/C(=N/NC(=O)c1ccc(Cl)cc1Cl)CCC2 40813720 WMHSRQFJWQCWID-ZTKZIYFRSA-N 496.394 5.958 50 10 JKGE CCc1ccc(OCCCC(=O)N/N=C/c2ccc(Br)cc2)c(Br)c1 40959275 KATKJPTYRTVWTI-LPYMAVHISA-N 468.189 5.083 50 10 JKGE Cc1ccc(NC(=O)/C(C#N)=C/c2ccc(-c3ccc(Br)c(C)c3)o2)cc1Cl 58832677 MVSGKEJHBMOLJU-MHWRWJLKSA-N 455.739 6.525 50 10 JKGE CCCCCCCCCCOc1ccc(C(=O)Oc2ccc(OC(=O)[C@@H](Cl)C(C)C)cc2)cc1 59734469 NNWWBJUPKARUHB-SANMLTNESA-N 489.052 7.594 50 10 JKGE Cc1cccn2c(=O)c(/C=C(/C#N)c3nc4ccccc4s3)c(Oc3ccc(C(C)(C)C)cc3)nc12 97492191 SQSYXAUVBCMNLE-MNDPQUGUSA-N 492.604 6.767 50 10 JKGE Cc1ccc(N/C(SCc2ccc(F)cc2)=C(\C#N)S(=O)(=O)c2ccccc2)c(C)c1 104688987 BUWKJEVVBYGBHQ-VHXPQNKSSA-N 452.576 5.954 50 10 JKGE CCOc1cc(Br)c([C@H](Cl)c2ccc(Br)s2)cc1OCC 109821212 PCYPYXSLOXEOER-HNNXBMFYSA-N 454.611 6.399 50 10 JKGE Brc1ccc(C[C@H](Br)c2cccc(I)c2)cc1 110296949 SUDMNSSOZVZFTP-AWEZNQCLSA-N 465.954 5.732 50 10 JKGE COC(=O)CC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC=C4C[C@H]5CC[C@]4(C)[C@@]3(O5)C(=O)[C@H](Br)[C@@]21C 118919475 ZOLSFJBCIQJBLX-XFYFONGQSA-N 479.455 5.229 50 10 JKGE Clc1cc([C@H](Br)c2cc(Br)c(Br)s2)c(Cl)s1 128866041 FBIMLVQERYUXKX-ZETCQYMHSA-N 485.875 7.126 50 10 JKGE COc1cc([C@H](Br)c2ccc(Br)cc2C)c(OC)cc1Br 134297345 WXLOLAQGRZYOHY-MRXNPFEDSA-N 479.006 6.022 50 10 JKGE Cc1cc(Br)c([C@@H](Cl)c2cccc(F)c2Br)cc1Br 156135787 CXCAJWAOBHURHI-AWEZNQCLSA-N 471.389 6.750 50 10 JKGE CCCCN1C(=O)C(C#N)=C(C)/C(=C/c2cn(-c3ccccc3)nc2-c2cc(C)ccc2C)C1=O 214224909 TYIAQGURSLEQKL-XYGWBWBKSA-N 464.569 5.549 50 10 JKGE Cc1ccc(N/C=C(/C#N)C(=O)N2CCN(C(c3ccccc3)c3ccccc3)CC2)cc1Cl 216486630 DRAUMUATOXJVNA-GFMRDNFCSA-N 471.004 5.402 50 10 JKGE COc1cc(Br)c(Oc2ccc(F)cc2CBr)cc1Br 218338008 BBDUPPPAWLSTSO-UHFFFAOYSA-N 468.942 6.047 50 10 JKGE Clc1c(Br)cccc1[C@H](Br)c1ccc(Br)c2ccccc12 228453667 YTKZPRQPUFULBO-MRXNPFEDSA-N 489.432 7.503 50 10 JKGE CC(C)[C@H]1CC[C@@H](C)C[C@@H]1O[C@@H](CI)c1cccc(Br)c1 228847226 JFYOHGQBINEJOZ-ZSGPHXLJSA-N 465.213 6.403 50 10 JKGE COc1ccc([C@H](Cl)c2cc(I)ccc2Br)c(F)c1 234994452 MGBRCTUZVLPYLX-AWEZNQCLSA-N 455.492 5.530 50 10 JKGE O=C(Nc1ccc(CCl)cc1)c1cc(Br)ccc1I 236026737 UCMFWGKCDUJNDY-UHFFFAOYSA-N 450.501 5.045 50 10 JKGE COc1ccc(C(C)=NNC(=O)c2ccccc2OCc2ccc(Br)cc2)cc1 245238636 XHNAQIAIZUNXEN-UHFFFAOYSA-N 453.336 5.191 50 10 JKGE COc1cc(C)c(Br)cc1[C@@H](Br)c1ccc(OCc2ccccc2)cc1 382332285 VARAQQKYZKEOKD-QFIPXVFZSA-N 476.208 6.829 50 10 JKGE Brc1ccc([C@@H]2CN(Cc3ccccc3)C[C@@H]2CI)cc1 382728294 SEGLTKZPKRHKMT-WMZOPIPTSA-N 456.165 5.100 50 10 JKGE Cc1cc(Cl)ccc1[C@H]1CN(C(=O)OCc2ccccc2)C[C@H]1CI 382733803 VWBVWZPOCCPVGZ-APWZRJJASA-N 469.750 5.436 50 10 JKGE Fc1ccccc1C(CBr)(CBr)Cc1ccsc1Br 388747445 MPYHYAPJPSZUKC-UHFFFAOYSA-N 471.027 5.920 50 10 JKGE Cn1ncc([C@H](Br)c2ccc(Cl)c3ccccc23)c1I 393596680 AXUFHXHYJUVHNX-CQSZACIVSA-N 461.528 5.316 50 10 JKGE CCCCCCCCCCCCCC[C@H](Br)CCCOS(=O)(=O)c1ccccc1 585667333 DVPZQLORALLCAR-QHCPKHFHSA-N 489.560 8.027 50 10 JKGE CC1(C)C[C@H](Br)CCN(C(=O)c2scc(Br)c2Br)C1 707821384 XKVXXNFFHPLCCM-MRVPVSSYSA-N 474.056 5.299 50 10 JKGE CC(F)(F)CCCC(CBr)(CBr)c1cccc(Br)c1 718677641 UWVKSMICEUZWNF-UHFFFAOYSA-N 462.998 6.302 50 10 JKGE Cc1sc([C@H](Br)c2cccc(I)c2)c(C)c1Br 724915211 OTYAAUZSUJMGLB-GFCCVEGCSA-N 486.010 6.216 50 10 JKGE O=C(NN=Cc1ccccc1OCc1ccccc1)C(=O)Nc1ccc(Oc2ccccc2)cc1 725422042 OSFPNWPEMWNHGQ-UHFFFAOYSA-N 465.509 5.147 50 10 JKGE C=CCc1cc(/C=C(\C#N)C(=O)Nc2ccc(C)cc2)cc(OCC)c1OCc1ccc(C(=O)O)cc1 1084116671 FZLZWGVOALWPOO-PCLIKHOPSA-N 496.563 5.945 50 10 JKGE Cc1ccc(-c2ccccc2)n1-c1ccc(C(=O)NN=Cc2ccc(-c3ccc(Cl)cc3)o2)cc1 1084241729 KVZJJQUOKAUMJX-UHFFFAOYSA-N 479.967 7.130 50 10 JKGE O=C(NN=Cc1ccccc1OCc1cccc2ccccc12)c1cc(Br)ccc1O 1084653206 JMDXALUIFDFMCP-UHFFFAOYSA-N 475.342 5.651 50 10 JKGE COc1cc(C=NNC(=O)COc2cc(C)c(Cl)c(C)c2)ccc1OCc1ccccc1 1772752908 XFLQXORPDDTJRF-UHFFFAOYSA-N 452.938 5.074 50 10 JKGE O=C(COc1cccnc1NC(=O)Oc1ccc([N+](=O)[O-])cc1F)Nc1ccc(Cl)cc1Cl 1858684346 JOWMZUJWXBEUSO-UHFFFAOYSA-N 495.250 5.064 50 10 JKGE CCCc1nn(Cc2ccccc2Cl)c2c1[C@H](c1cccc(Br)c1)C(C#N)=C(N)O2 1865683795 IIVJTZFYAXQKNI-HXUWFJFHSA-N 483.797 5.518 50 10 JKGE Cc1ccc(-n2nc(C(F)(F)F)c3c2OC(N)=C(C#N)[C@@H]3c2ccc(Cl)c(Cl)c2)cc1 1865685537 KBHNLEKSKNVASF-INIZCTEOSA-N 465.262 5.725 50 10 JKGE CCCCOc1ccc([C@@H]2C(C#N)=C(N)Oc3c2c(CCC)nn3-c2ccccc2)cc1OCC 1865686890 DLTMDCWDVVVXOJ-RUZDIDTESA-N 472.589 5.621 50 10 JKGE CCCOc1ccc([C@@H]2C(C#N)=C(N)Oc3c2c(C)nn3-c2ccc(Cl)c(Cl)c2)cc1OCC 1865688358 QHFDQXQLGWVXHK-HSZRJFAPSA-N 499.398 5.893 50 10 JKGE N#CC1=C(N)Oc2c(c(C(F)(F)F)nn2-c2ccccn2)[C@H]1c1ccc(OCc2ccccc2)cc1 1865690668 YODVTRMSOXATNH-NRFANRHFSA-N 489.457 5.083 50 10 JKGE CCCOc1c(OC)cccc1[C@H]1C(C#N)=C(N)Oc2c1c(CCC)nn2-c1ccc(C)cc1 1865694479 YKFBGGPESKKYDC-QHCPKHFHSA-N 458.562 5.149 50 10 JKGE CCCCCOc1ccc([C@@H]2C(C#N)=C(N)Oc3c2c(CCC)nn3-c2ccccc2)cc1OC 1865694842 CXKKCAUXOGNOOU-RUZDIDTESA-N 472.589 5.621 50 10 JKGE Cc1ccsc1[C@H]1C(C#N)=C(N)Oc2c1c(C(F)(F)F)nn2-c1ccc(Br)cc1 1865699027 IVVLBWBKRQRUIA-ZDUSSCGKSA-N 481.297 5.242 50 10 JKGE CCc1nn(-c2ccc(Cl)c(Cl)c2)c2c1[C@@H](c1ccc(N(CC)CC)cc1)C(C#N)=C(N)O2 1865701943 JAPCKFMNLODBSN-QFIPXVFZSA-N 482.415 5.806 50 10 JKGE CCc1nn(-c2ccc(C)cc2)c2c1[C@@H](c1ccccc1OCc1ccccc1Cl)C(C#N)=C(N)O2 1865702755 DPBHDXXKMISQMO-SANMLTNESA-N 496.998 6.194 50 10 JKGE CCCOc1ccccc1[C@@H]1C(C#N)=C(N)Oc2c1c(-c1ccccc1)nn2-c1ccc(Cl)cc1 1865703037 LJGXWVNRHHWRLI-XMMPIXPASA-N 482.971 6.200 50 10 JKGE CCCc1nn(CCC)c2c1[C@@H](c1ccccc1OCc1ccccc1Cl)C(C#N)=C(N)O2 1865703155 OFGKPBLSZNNGLX-QHCPKHFHSA-N 462.981 5.696 50 10 JKGE CCN(Cc1ccccc1)c1ccc([C@@H]2C(C#N)=C(N)Oc3c2c(C)nn3-c2cccc(Cl)c2)cc1 1865707542 YYYXELOVWKBOCG-HHHXNRCGSA-N 496.014 6.079 50 10 JKGE CCc1ccc([C@H]2C(C#N)=C(N)Oc3c2c(-c2ccccc2)nn3Cc2ccc(F)cc2)cc1 1865709244 RQXXZIKVRPBGDI-DEOSSOPVSA-N 450.517 5.518 50 10 JKGE N#CC1=C(N)Oc2c(c(C(F)(F)F)nn2Cc2c(F)cccc2Cl)[C@@H]1c1cccc(F)c1 1865711155 QVALRLFIDKDOLW-MRXNPFEDSA-N 466.797 5.100 50 10 JKGE N#CSc1ccc(Nc2cc(N3CCO[C@H](c4ccccc4)C3)nc(Cc3ccccc3)n2)cc1 1868207175 IQGDEKDDSRNHBK-VWLOTQADSA-N 479.609 5.962 50 10 JKGE CCOc1ccc(-c2nc(Nc3ccc(SC#N)cc3)cc(N3CCOCC3(C)C)n2)cc1 1868527885 JVBRLPXCXBORSB-UHFFFAOYSA-N 461.591 5.474 50 10 JKGE CC(C)OC(=O)c1ccc(/C(C#N)=C/c2cc(Br)cc(Br)c2O)o1 1872728673 NOEJWXGWLJDHBV-VZUCSPMQSA-N 455.102 5.140 50 10 JKGE COc1ccc(/C=C/C(O)=C(\C#N)c2nc(-c3ccc(Cl)cc3Cl)cs2)c(OC)c1 1872744707 FCJUDVBMVJMCHF-LLZXCYLFSA-N 459.354 6.640 50 10 JKGE CCCOc1ccc(-c2csc(/C(C#N)=C(\O)c3cc(OCC)c(OCC)c(OCC)c3)n2)cc1 1872749371 OKQVOKGDSZRDSN-DAFNUICNSA-N 494.613 6.745 50 10 JKGE CC[C@@H](C)[C@@H](/C(O)=C(\C#N)c1nc(-c2cccc3ccccc23)cs1)N1C(=O)c2ccccc2C1=O 1872752112 NVXLYBGGRCTQJD-KBIIDJLVSA-N 493.588 6.467 50 10 JKGE Cc1cc(C)c(-c2csc(/C(C#N)=C(\O)c3ccccc3C(=O)c3ccccc3)n2)c(C)c1 1872757268 XQAWPRFQDRJTQL-VYIQYICTSA-N 450.563 6.916 50 10 JKGE CCCCCCOc1ccc(/C(O)=C(\C#N)c2nc(-c3cc(C)c(Cl)cc3OC)cs2)cc1 1872757274 YFRMSYYDRFZAAL-DAFNUICNSA-N 483.033 7.690 50 10 JKGE COc1ccc(-c2csc(/C(C#N)=C(\O)CCCOc3ccccc3Cl)n2)c2ccccc12 1872758826 RXWQELBWVOTRNE-ATJXCDBQSA-N 476.985 7.277 50 10 JKGE COc1cc(C)c([C@@H](Br)c2scc(C)c2Br)cc1Br 1901586262 MDXVCCZTAFZYBJ-CYBMUJFWSA-N 469.036 6.383 50 10 JKGE CC(F)(F)[C@@H]1C[C@H]1[C@H](Br)c1c(Br)sc(Br)c1Cl 1906223124 IRTZQNKGZKSIRQ-KODRXGBYSA-N 473.402 6.654 50 10 JKGE BrCC1(Cc2ccc(Br)cc2Br)CC2(CCCC2)C1 1912585203 BDPHYEHJVRLVEC-UHFFFAOYSA-N 451.040 6.490 50 10 JKGE C[C@@H](CBr)N(Cc1ccccc1)S(=O)(=O)c1c(Cl)cccc1Br 1914353016 LSCOBANXAJAQFX-LBPRGKRZSA-N 481.637 5.077 50 10 JKGE CCN(c1ccc(CBr)c(Br)c1)[C@H]1CCN(Cc2ccccc2)C1 1915067648 OBECJMNVNPQCSU-IBGZPJMESA-N 452.234 5.445 50 10 JKGE Cc1c(Br)sc([C@@H](Br)C2CC(OC(C)(C)C)C2)c1Br 1922936787 WUDSEDBPFSGOQT-AMUVOQDHSA-N 475.084 6.611 50 10 JKGE Cc1c(Br)sc([C@H](Br)c2cc(F)cc(Cl)c2)c1Br 1922942476 RKHAXZGGSYDOAP-SNVBAGLBSA-N 477.418 6.858 50 10 JKGE Fc1cccc(C[C@H](Br)c2c(Br)sc(Br)c2Cl)c1F 1923067579 FKJZQOCSWPVCPW-LURJTMIESA-N 495.408 6.883 50 10 JKGE C[C@@H]1[C@@H]([C@H](Br)c2c(Br)sc(Br)c2Cl)C1(F)F 1923073897 CUGXOEFJFALOLF-UCZIYFJWSA-N 459.375 6.264 50 10 JKGE CC1(C)CCCC[C@H]1[C@@H](Cl)c1c(Br)sc(Br)c1Br 1924591739 UEZSRXRKNMSISF-OIBJUYFYSA-N 479.503 7.532 50 10 JKGE O=C(Nc1ccc(F)c(CBr)c1)c1cc(Br)ccc1Br 1924875130 GOVLWAHARIBRBY-UHFFFAOYSA-N 465.942 5.498 50 10 JKGE C[C@@H]1COc2ccc([C@@H](Br)c3cc(Br)ccc3Br)cc21 1925753350 GNMCMPYWSDKKOP-JDNHERCYSA-N 460.991 6.192 50 10 JKGE Brc1ccc(Br)c([C@@H]2CCC[C@@H](CI)O2)c1 1935889469 RTFZDYFBPVZCIB-CABZTGNLSA-N 459.947 5.257 50 10 JKGE FC1(C[C@H](Br)c2c(Br)sc(Br)c2Cl)CCC1 1994684626 AEGDNVZUVFCOBR-YFKPBYRVSA-N 455.412 6.645 50 10 JKGE Cc1cc(Br)c(CBr)c(N2CCN(Cc3ccccc3)C[C@H]2C)c1 2005452165 DTCLLBVLLPSRKQ-MRXNPFEDSA-N 452.234 5.363 50 10 JKGE Cl[C@H](c1cc(Br)c(Br)s1)c1cc(C2CC2)c(Br)s1 2033632413 ILOIVTPHJOXQLJ-JTQLQIEISA-N 491.495 7.303 50 10 JKGE COc1cc(C(=O)N(Cc2ccccc2)C2(CBr)CCC2)ccc1Br 2072061727 UGENLLMSLBJZOY-UHFFFAOYSA-N 467.201 5.418 50 10 JKGE COc1c(Cl)cc(Cl)cc1-c1csc(/C(C#N)=C(\O)C(C#N)=Cc2ccccc2)n1 2084329537 UACURRBRNYRRDK-OJBOTWANSA-N 454.338 6.525 50 10 JKGE COc1cc(Br)c(Oc2nc(C)c(CBr)s2)cc1Br 2108216330 PXTLGEZXKMESDT-UHFFFAOYSA-N 471.996 5.672 50 10 JKGE COc1ccc([C@H](Cl)c2c(Br)sc(Br)c2Cl)c(Cl)c1 2109669305 HOMHGPXYKFGZGR-VIFPVBQESA-N 465.421 6.917 50 10 JKGE Cl[C@@H](c1cc(I)sn1)c1ccc(Br)c2ccccc12 2120032786 PELDIKGKHLCUKN-CQSZACIVSA-N 464.553 5.992 50 10 JKGE CC(C)(C)OC(=O)NCCSSCCNC1CC(c2ccc(Br)cc2)C1 2125293023 KAHMGGXVKLZBDS-UHFFFAOYSA-N 461.491 5.191 50 10 JKGE Cc1c(Br)sc([C@@H](Br)c2scc3c2CCCC3)c1Br 2130575247 AWRMWHSFFIWXRE-NSHDSACASA-N 485.104 7.006 50 10 JKGE Cc1cc(Br)c(C)c([C@@H](Br)C23COC(C)(C2)C3)c1Br 2136369687 FOGNUQFDMGXNTI-WLYUNCDWSA-N 453.012 5.834 50 10 JKGE Cc1c(Br)ccc([C@H](Br)C[C@@H](C)CC(C)(C)C)c1Br 2138854662 UOFCREBXZJOZLN-QMTHXVAHSA-N 455.072 7.418 50 10 JKGE Cc1cc([C@H](Cl)c2cc(F)c(Br)cc2F)ccc1I 2142140586 KZTIVQGTAMBFGZ-AWEZNQCLSA-N 457.483 5.969 50 10 JKGE CC(C)(C)C1CC(CBr)(Cc2ccc(I)c(Cl)c2)C1 2142939299 FZYVCNVUAQVMEY-UHFFFAOYSA-N 455.605 6.325 50 10 JKGE CC1(C)C[C@@H](CBr)CN(Cc2ccc(I)c(Cl)c2)C1 2142942626 FNDAVXNVDARKOE-LBPRGKRZSA-N 456.593 5.188 50 10 JKGE CC1(C)CCO[C@H]1CC(CBr)(CBr)c1ccccc1Br 2154275072 VTAVLCNCWVCCSE-AWEZNQCLSA-N 469.055 5.682 50 10 JKGE CCOc1ccc(Nc2ncc(I)cc2Br)cc1CCl 2189902015 VMUASOJLJANYNC-UHFFFAOYSA-N 467.532 5.330 50 10 JKGE FC(F)[C@@H]1CN(Cc2ccccc2)C[C@H]1n1c(CCl)nc2ccc(Br)cc21 2193245512 QSHCIYQAXHRFBU-CRAIPNDOSA-N 454.746 5.476 50 10 JKGE Brc1ccc([C@@H](CI)O[C@H]2CCOC3(CCC3)C2)cc1 2197366096 DIDWKSARVDMROF-LSDHHAIUSA-N 451.142 5.044 50 10 JKGE Cc1cc(Br)c(C)c([C@@H](Br)[C@@H]2CC[C@H]3C[C@H]2CO3)c1Br 2201064433 JMNLAQUIYVUKAG-OVZMXSCWSA-N 467.039 6.080 50 10 JKGE COc1c(Cl)cc(Br)cc1[C@@H](Cl)c1cc(Br)ccc1Cl 2202997747 KUXUNNGXAKFLPG-ZDUSSCGKSA-N 459.392 6.855 50 10 JKGE COc1c(Cl)cc(Br)cc1[C@H](Br)c1c(Cl)cccc1Cl 2202999656 CCWDEXDZTZFARN-ZDUSSCGKSA-N 459.392 6.902 50 10 JKGE Cc1c(Br)ccc([C@H](Br)[C@@H]2CCCC(C)(C)CC2)c1Br 2203681308 AHEUZCYYDLYLLH-MLGOLLRUSA-N 467.083 7.563 50 10 JKGE COCc1ccccc1[C@H](Br)c1ccc(Br)c(C)c1Br 2203683947 FTOVVDRFXYMYJH-INIZCTEOSA-N 463.007 6.151 50 10 JKGE Fc1cc(Br)c(Br)cc1[C@@H](Br)C1(Br)CCC1 2210496667 YMMGFBAYGWZENB-SNVBAGLBSA-N 479.807 6.104 50 10 JKGE Cc1c(Br)sc([C@H](Br)C2CC(C(F)F)C2)c1Br 2217480132 IOBRKVAVVUQFNZ-NPWHJSNTSA-N 452.984 6.309 50 10 JKGE Brc1cc(Br)c([C@@H](Br)C2C[C@H]3CCC[C@H](C2)C3)s1 2218343903 ORFGEDMAOHKTGH-RVBZMBCESA-N 457.069 6.926 50 10 JKGE Cc1ccc([C@H](Br)c2scc(Br)c2C)c(C)c1Br 2219006780 VOPWLEAYQLAOEG-ZDUSSCGKSA-N 453.037 6.683 50 10 JKGE BrCC(CBr)(Cc1cscc1Br)C1CCCCC1 2219927062 FYFIDXIEIHCSKE-UHFFFAOYSA-N 459.085 6.410 50 10 JKGE Cn1ncc([C@H](Cl)c2c(Br)cc(Cl)c(Cl)c2Cl)c1Br 2224306618 FYEWCKPEGOITEC-QMMMGPOBSA-N 467.803 6.234 50 10 JKGE Fc1cc(Br)c(Br)cc1[C@H](Br)[C@H]1CC2CCC1CC2 2225615588 JFHYDHBKJNLRCM-FJKYHOBBSA-N 455.003 6.613 50 10 JKGE C[C@@H]1CCC[C@@H]([C@H](Br)c2cc(Br)c(Br)cc2F)CC1 2225615727 KUEMSCQRJDBHPF-FCHSOHFDSA-N 457.019 7.003 50 10 JKGE Fc1cc(Br)c(Br)cc1[C@H](Br)[C@]12COC[C@@H]1C2(F)F 2225619534 KHLHFJZPPZHNDP-DCAQKATOSA-N 464.901 5.068 50 10 JKGE Fc1cc(Br)c(Br)cc1[C@H](Br)C1(CC(F)(F)F)CC1 2225620855 ZUWQFEUHLMFZQP-JTQLQIEISA-N 468.908 6.519 50 10 JKGE Cc1ccc([C@H](Br)c2c(Br)cc(Cl)c(Cl)c2Cl)cc1C 2232511906 LXMUPQJAEJLXBX-ZDUSSCGKSA-N 457.420 7.510 50 10 JKGE Cc1cc(Br)c([C@H](Cl)c2ccc(F)cc2I)c(C)c1Cl 2232530601 STJUVSJMVGWBDW-OAHLLOKOSA-N 487.965 6.791 50 10 JKGE BrCc1cc(Br)cc(Br)c1OC[C@@H]1OC[C@@H]2CCC[C@H]21 2233359497 DLWDAMLZSSJHMW-BHYNMZESSA-N 469.011 5.300 50 10 JKGE C[C@H](CCBr)N(Cc1ccccc1)C(=O)c1cc(F)c(Br)cc1Cl 2248028303 IBPTWPSBNZJKDJ-GFCCVEGCSA-N 477.599 6.058 50 10 JKGE Cc1sc([C@H](Br)c2cccc(Br)c2F)c(Br)c1C 2253472896 HMAHSRRFPFXZMA-LLVKDONJSA-N 457.000 6.513 50 10 JKGE Clc1c(Br)sc(Br)c1[C@H](Br)[C@@H]1COC2(CCC2)C1 2257144207 MTDYZFPDAFLKGP-POYBYMJQSA-N 479.459 6.322 50 10 JKGE Cc1cc([C@H](Br)c2cc(Br)c(F)cc2Cl)sc1Br 2258101729 DCWMUQVOYXCRRI-LLVKDONJSA-N 477.418 6.858 50 10 JKGE Cc1sc(Br)c(C)c1[C@H](Br)c1cc(F)c(Br)cc1Cl 2267748042 DHYBBLKBPRLEDY-GFCCVEGCSA-N 491.445 7.167 50 10 JKGE Cc1cc(Br)c(CCl)c(Oc2cccc(C)c2I)c1 2277889739 QVURDDWKQDBRBH-UHFFFAOYSA-N 451.529 6.202 50 10 JKGE COC1([C@@H](Br)c2c(Br)cc(Cl)c(Cl)c2Cl)CC(CF)C1 2281170921 UUEWFDMUVPEEDA-BZCBFNEHSA-N 469.403 6.610 50 10 JKGE Clc1ccc([C@@H](Br)Cc2nc3ccccc3o2)cc1I 2283566500 RQYLQWJLVPQBBN-JTQLQIEISA-N 462.512 5.765 50 10 JKGE COc1c(Cl)cc(Br)cc1[C@@H](Br)c1csc(Cl)c1OC 2284306198 VGHBTRMDDXUHMG-SNVBAGLBSA-N 461.002 6.319 50 10 JKGE BrCc1cc(Br)c(OC[C@@H]2COC3(CCC3)C2)c(Br)c1 2284814794 WEUNTWYQOMASNE-LLVKDONJSA-N 469.011 5.445 50 10 JKGE CC[C@@]12CC[C@@]([C@@H](Br)c3ccc(OC)c(I)c3)(CO1)C2 2285009425 MKMHSWRFVQCAIF-JYJNAYRXSA-N 451.142 5.085 50 10 JKGE CCc1ccc(NC(=O)C(C#N)=Cc2c(C)n(Cc3ccccc3Cl)c3ccccc23)cc1 2294187443 PCVPIHTUIBXGFB-UHFFFAOYSA-N 453.973 6.760 50 10 JKGE N#CC(=Cc1cn(Cc2ccc(Cl)cc2)c2ccccc12)C(=O)NCc1ccc2c(c1)OCO2 2294599118 XAMHMYOQPFKDRJ-UHFFFAOYSA-N 469.928 5.295 50 10 JKGE COc1cc(OC)c([C@H](Br)c2nc(C)sc2Br)cc1Br 2295420298 BMFHOTMHCDWAKV-NSHDSACASA-N 486.023 5.478 50 10 JKGE C[C@H](NC(=O)C(C#N)=Cc1ccc(COc2c(Cl)cc(Cl)cc2Cl)o1)c1ccccc1 2295672412 VURFATIDJMHISS-AWEZNQCLSA-N 475.759 6.603 50 10 JKGE Cc1cc2nc(C(C#N)=Cc3cn(CC(=O)Nc4ccc5c(c4)OCO5)c4ccccc34)[nH]c2cc1C 2297379025 GBJFBNAZFAUGKC-UHFFFAOYSA-N 489.535 5.566 50 10 JKGE CCSC=C(NC(=O)c1ccccc1)[P+](c1ccccc1)(c1ccccc1)c1ccccc1 2297497969 REXLHHHTTKBTJK-UHFFFAOYSA-O 468.582 5.963 50 10 JKGE Cl[C@H](c1c(Br)sc(Br)c1Br)[C@@H]1C[C@@H]2CC[C@H]1C2 2298421357 JMQHOTGRXQDVRH-LGVNZDMBSA-N 463.460 6.752 50 10 JKGE CO[C@@H]1C[C@]2([C@@H](Br)c3cc(Br)ccc3OCc3ccccc3)C[C@@H]12 2299500221 DEKIADHRYNGTCP-OJAHFUOMSA-N 452.186 5.889 50 10 JKGE O=C(N[C@@H](CCCl)COCc1ccccc1)c1cc(Br)cc(Br)c1 2303768992 XISVXBOPIOPQCV-KRWDZBQOSA-N 475.608 5.156 50 10 JKGE C=CCc1cc(C=C(C#N)C(=O)N2CCN(c3ccccc3)CC2)ccc1OCc1ccccc1Cl 2313568296 UBHJJGBYZJMZHX-UHFFFAOYSA-N 498.026 5.903 50 10 JKGE C=CCc1cc(C=C(C#N)C(=O)Nc2cccc(Cl)c2Cl)ccc1OCc1ccccc1F 2313571204 PSTHVKSJFYMFNG-UHFFFAOYSA-N 481.354 6.986 50 10 JKGE Cc1ccc(NC(=O)C(C#N)=Cc2cc(Br)ccc2OCc2ccc(Cl)cc2)c(C)c1 2313667518 OKOVUPRWWPEAMD-UHFFFAOYSA-N 495.804 6.844 50 10 JKGE Brc1ccc(OCc2ccccc2)c([C@H](Br)CCC2CCCCC2)c1 2314450211 XIIRPRLMHKJZJK-OAQYLSRUSA-N 466.257 7.825 50 10 JKGE Brc1ccc(OCc2ccccc2)c([C@H](Br)[C@H]2CC3(CCC3)CO2)c1 2314458036 APIHPNWAKWFJSH-UXHICEINSA-N 466.213 6.423 50 10 JKGE N#CC(=Cc1ccc(-c2cc(Cl)ccc2Cl)o1)c1nc(-c2ccc([N+](=O)[O-])cc2)cs1 2314572064 RUELHKDUUDRASQ-UHFFFAOYSA-N 468.321 7.349 50 10 JKGE N#CC1=C(N)Oc2cc(OC(=O)C=Cc3ccc(Cl)cc3Cl)ccc2[C@H]1c1ccc(Cl)cc1 2314634026 CKKNLAHIQKSMGI-XMMPIXPASA-N 497.765 6.484 50 10 JKGE FC1(F)[C@@H]2CC[C@H]([C@@H](Br)c3sc(Cl)cc3I)C[C@H]21 2316600768 KLNYRBFRDJRWNV-MPXCPUAZSA-N 467.544 6.124 50 10 JKGE CCOc1ccc(C=CC(=O)NNC(=O)c2ccc(-c3ccc(Cl)cc3Cl)nc2C)cc1 2321143323 VRPNFFPEEYILAQ-UHFFFAOYSA-N 470.356 5.237 50 10 JKGE BrC[C@]1(Cc2ccc(I)c(Br)c2)C[C@H]2C=C[C@H]1C2 2325238057 YPMWXPQKJUVFSA-ITDIGPHOSA-N 481.997 5.574 50 10 JKGE N#CC(=Cc1cccc(F)c1)C(=O)Nc1cccc(Nc2ncnc3ccc(Br)cc23)c1 2329672293 JEWRFSLHQBRQLF-UHFFFAOYSA-N 488.320 5.821 50 10 JKGE BrC[C@H]1C[C@@H]2CCC[C@@H]2N1Cc1cc(Br)ccc1Br 2330620655 GHHOOPNUUCDQQK-ZBINZKHDSA-N 452.028 5.350 50 10 JKGE N#CC(=C(O)CCN1C(=O)c2ccccc2C1=O)c1nc(-c2ccc(Cl)cc2Cl)cs1 2331251000 GPLNBBXQDAYDLE-UHFFFAOYSA-N 470.337 5.596 50 10 JKGE N#CC(=C(O)c1ccc2c(c1)C(=O)N(C1CCCCC1)C2=O)c1nc(-c2cccs2)cs1 2331326260 QCYKQQHELVJOET-UHFFFAOYSA-N 461.568 5.750 50 10 JKGE CCOc1ccc(OCC)c(-c2csc(C(C#N)=C(O)[C@H](C)Oc3ccccc3C(C)C)n2)c1 2331376507 LMJJRHKRNZEGQA-SFHVURJKSA-N 478.614 6.991 50 10 JKGE COc1cc(-c2csc(C(C#N)=C(O)C34CC5CC(CC(C5)C3)C4)n2)c(OC)cc1Cl 2331377406 UUNKNSYPESGKNZ-UHFFFAOYSA-N 456.995 6.490 50 10 JKGE CCN(CC)c1ccc(C=C(C#N)c2nc(-c3cc(Cl)c(OC)c(Cl)c3)cs2)cc1 2331480308 GMCSJVSTMGVNEC-UHFFFAOYSA-N 458.414 7.036 50 10 JKGE Cc1c(Br)ccc([C@H](Br)[C@@H]2[C@@H]3[C@H]2CCC3(F)F)c1Br 2333145728 BMDYSFWBTBRJRR-IRDCDUOOSA-N 458.966 6.247 50 10 JKGE FC1(F)[C@@H]2CC[C@@H]([C@@H](Br)Cc3cc(Br)cc(Br)c3)[C@@H]21 2335066370 GQQBBZWOTNRWGH-RNJOBUHISA-N 458.966 5.809 50 10 JKGE CC1(C)CC2(CC([C@H](Br)c3cc(Br)ccc3OCc3ccccc3)C2)C1 2336054176 PTCDYVAPYDBBQT-NRFANRHFSA-N 478.268 7.681 50 10 JKGE Brc1ccc(OCc2ccccc2)c([C@H](Br)[C@@H]2CCn3ccnc3C2)c1 2336057904 WFBXEHRFPGYXMD-IIBYNOLFSA-N 476.212 5.923 50 10 JKGE O=[N+]([O-])c1sc(CBr)cc1Oc1cc(Br)cc(Br)c1 2338759302 XBEBTENZTXKEPE-UHFFFAOYSA-N 471.952 5.869 50 10 JKGE CCCC[C@@H](CC)[C@H](Br)c1c(C)cc(Br)c(F)c1Br 2339645584 JGQXZNPQUIYHMN-MFKMUULPSA-N 459.035 7.312 50 10 JKGE Clc1ccc(COc2cc(Cl)ccc2CBr)c(I)c1 2340110882 VKYKXEKMIOKQJQ-UHFFFAOYSA-N 471.947 6.072 50 10 JKGE ClC[C@@H]1CC2(CCC2)CN1Cc1ccc(I)c(Br)c1 2349837317 VASMPWXQZNVJJK-LBPRGKRZSA-N 454.577 5.037 50 10 JKGE CC(C)CC(CC(C)C)O[C@H](CI)c1cccc(Br)c1 2360479106 IYFKMRWWWJGFQM-QGZVFWFLSA-N 453.202 6.403 50 10 JKGE Fc1cc(Cl)c(Br)c(Cl)c1[C@@H](Br)C1CC2(C1)CC2(F)F 2360480651 CPVDVGMQVGBSKT-MFOBGVTRSA-N 452.923 6.766 50 10 JKGE CC(C)(C)c1cccc([C@H](Br)c2cc(Br)ccc2OCc2ccccc2)c1 2361179915 ZFDLYUHGKKWGCR-QHCPKHFHSA-N 488.263 7.810 50 10 JKGE COc1sccc1[C@H](Br)c1c(C)cc(Br)c(OC)c1Br 2365191162 LSKCLVYRPBYXMW-NSHDSACASA-N 485.035 6.083 50 10 JKGE CC1(C)C[C@@H](Br)C[C@H](NC(=O)c2ccc(Cl)cc2I)C1 2365590792 CKUJTISICPCYPI-ONGXEEELSA-N 470.576 5.017 50 10 JKGE Clc1ccc(C[C@@H]2CCCCCCCC[C@@H]2Br)c(I)c1 2366716911 ZIIVENIBVHYAFH-BBRMVZONSA-N 469.632 7.001 50 10 JKGE O=C(c1cc(Br)sc1Br)N1C[C@@H]2C[C@H](CBr)C[C@@H](C2)C1 2369304309 WMVWWDHMHMGRRY-ILWJIGKKSA-N 486.067 5.156 50 10 JKGE Fc1cc(F)c(OCc2ccc(I)c(Br)c2)c(CCl)c1 2377256314 SFYJKKXKINIDRE-UHFFFAOYSA-N 473.482 5.650 50 10 JKGE Cc1cc(-c2nn(-c3ccccc3)cc2/C=C(\C#N)C(=O)NCc2cccnc2)ccc1OC(C)C 1473866 ADYLLPSVQLYCKZ-BUVRLJJBSA-N 477.568 5.253 50 10 JKGE N#C/C(=C\c1ccccc1)C(=O)Oc1ccc2c(=O)c(Oc3ccc4ccccc4c3)coc2c1 1777139 XAHNMLPJCWXVPC-HYARGMPZSA-N 459.457 6.251 50 10 JKGE O=C(NC1CCCC1)[C@H](c1cccc(Br)c1)N(Cc1ccc(Cl)cc1)C(=O)CCl 3039624 MZEDGGPJMYIGAV-NRFANRHFSA-N 498.248 5.470 50 10 JKGE O=C(N/N=C/c1ccc(Br)s1)c1ccc(OCc2cccc(Br)c2)cc1 3174885 ZHEILVBQXICBMG-SSDVNMTOSA-N 494.208 5.616 50 10 JKGE O=C(CN1CCn2c3c(c4cc(C5CCCCC5)ccc42)CCC[C@H]31)NN=Cc1ccc(O)cc1 8430834 MSNZRLIJCGQZSO-HHHXNRCGSA-N 470.617 5.238 50 10 JKGE Cc1cc([C@H]2C(C#N)=C(N)N(c3cccnc3)C3=C2C(=O)C[C@@H](c2ccccc2)C3)c(C)s1 9981763 FVYWYGDELMFZBO-DFBJGRDBSA-N 452.583 5.458 50 10 JKGE Cc1ccc(CN2c3ccccc3C3=C([C@H](c4ccccc4Cl)C(C#N)=C(N)O3)S2(=O)=O)cc1 20558592 RSVXNHISTDKMAU-HSZRJFAPSA-N 489.984 5.175 50 10 JKGE CC(C)(C)c1ccc2c(c1)O[C@H](C(=O)N/N=C/c1cc(Cc3ccccc3Cl)ccc1O)CO2 26593305 NVERHGUKFYXODZ-UXPWFEKTSA-N 478.976 5.224 50 10 JKGE CCCCOC(=O)c1ccc(-c2ccc(/C=C(/C#N)C(=O)Nc3ccccc3[N+](=O)[O-])o2)cc1 33423594 CTYFXESBEYQMRM-CYVLTUHYSA-N 459.458 5.357 50 10 JKGE C[C@@H]1Oc2ccccc2C=C1/C=C(/C#N)c1nc(-c2cccs2)c(NC(=O)c2ccccc2)s1 34982838 KEEPPOLGIKTUIO-SZHLLGMXSA-N 481.602 6.895 50 10 JKGE CC(C)CCC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3C[C@@H]([N+](=O)[O-])[C@@]4(Cl)C[C@@H](Cl)CC[C@]4(C)[C@H]3CC[C@@]21C 38281532 KJNJTCUBWIYXDS-RUXQDQFYSA-N 486.568 8.332 50 10 JKGE CCOc1cc(/C=C2/C(=O)N(Cc3ccc(C)cc3)C(=O)C(C#N)=C2C)ccc1OCCC(C)C 38608460 AZIKGDRZXRBCJN-BUVRLJJBSA-N 472.585 5.611 50 10 JKGE COc1ccccc1[C@@H]1C(C#N)=C(N)Oc2cc(OC(=O)c3ccc(C(C)(C)C)cc3)ccc21 38649923 OKOJHEAZKUZMBI-VWLOTQADSA-N 454.526 5.430 50 10 JKGE N#CC1=C(N)Oc2cc(OC(=O)Cc3ccc(Cl)cc3)ccc2[C@H]1c1ccc(Br)cc1 38651814 UHPXBYGPBVWJSD-HSZRJFAPSA-N 495.760 5.469 50 10 JKGE CCCCCOc1ccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4ccco4)ccc32)cc1OC 38660279 KHWWWMRNKNWJRD-VWLOTQADSA-N 474.513 5.295 50 10 JKGE Cc1cc(C)c2c(C)c(C(=O)Oc3ccc4c(c3)OC(N)=C(C#N)[C@@H]4c3ccccc3F)oc2c1 38687991 CZWMTJVZSMGJDO-RUZDIDTESA-N 468.484 5.935 50 10 JKGE O=C(NNC(=S)Nc1cccc(Cl)c1)c1ccc(-c2ccc(Cl)c(C(F)(F)F)c2)o1 39892583 DXPKACZLTZXHNM-UHFFFAOYSA-N 474.291 5.904 50 10 JKGE CCN(c1ncnc(NNC(=O)c2ccc(Cl)cc2Cl)c1[N+](=O)[O-])c1cccc2ccccc12 40589288 AJMTTXMIMUAHSE-UHFFFAOYSA-N 497.342 5.760 50 10 JKGE Cc1ccc(Cl)cc1NC(=O)c1oc2c(c1C)/C(=N/NC(=O)c1ccccc1F)CCC2 40812382 YNJOFZHADPCCFS-MTDXEUNCSA-N 453.901 5.412 50 10 JKGE CCOc1ccc([C@H](O)CCC(=O)N/N=C\c2cn(Cc3ccc(C)cc3)c3ccccc23)cc1 58894790 WEMJFYVHXLZXPJ-ZOUCTGKASA-N 469.585 5.361 50 10 JKGE Cc1ccc(C)c(NC(=O)/C(C#N)=C/c2cccc(OCc3ccc(Cl)cc3Cl)c2)c1 59198801 ZBQFBOJZFHOXDE-RGVLZGJSSA-N 451.353 6.735 50 10 JKGE Cc1ccc(NC(=O)/C(C#N)=C/c2cc(C)n(-c3ccc(Oc4ccc([N+](=O)[O-])cn4)cc3)c2C)cc1 59335494 WDMSAAQHCOHIHY-PXLXIMEGSA-N 493.523 6.044 50 10 JKGE CCOC(=O)/C(C#N)=C/c1cc(Br)c(OCc2ccc(Cl)cc2)c(OCC)c1 59485129 CSKOWQXJQOTKRA-CXUHLZMHSA-N 464.743 5.550 50 10 JKGE C/C(=N/NC(=O)c1ccc(COc2ccccc2-c2ccccc2)cc1)c1ccc(Cl)c([N+](=O)[O-])c1 96698216 KHCHAXDQQVFVSS-FSGOGVSDSA-N 499.954 6.648 50 10 JKGE CC1=C(C#N)C(=O)N([C@H](C)c2ccccc2)C(=O)/C1=C/c1ccc(-c2ccc(Cl)c(Cl)c2)o1 101337805 LGEGJSGWVHFNPO-RBYWHNRPSA-N 477.347 6.607 50 10 JKGE COc1cc(/C=C(/C#N)C(=O)Nc2nc3ccccc3s2)ccc1OCc1ccc([N+](=O)[O-])cc1 102443961 XVIMEBIKEZSTON-PDGQHHTCSA-N 486.509 5.338 50 10 JKGE Cc1ccc(/C=C(/C#N)c2nc(-c3cccs3)c(NC(=O)c3ccc(Cl)cc3)s2)cc1 102619431 FZNJCCNVAHKCHT-AQTBWJFISA-N 461.999 7.150 50 10 JKGE Fc1cc(F)c([C@@H](Br)c2cc(Br)ccc2Br)c(F)c1 114846942 RMLNUBDADIMSJM-ZDUSSCGKSA-N 458.897 6.113 50 10 JKGE Cc1cc([C@@H](Br)c2ccc(Br)c(C(F)(F)F)c2)sc1Br 124623324 HDPSEABLVAAGOL-NSHDSACASA-N 492.980 7.085 50 10 JKGE Cl[C@H](c1csc(I)c1)c1csc2c(Br)cccc12 163371064 QOXAWGWLUNFVDQ-GFCCVEGCSA-N 469.594 6.658 50 10 JKGE CCOc1cc(Cl)c([C@H](Br)c2cc(F)ccc2Br)cc1Cl 164554226 YRPVEDKLOAKLPF-OAHLLOKOSA-N 456.964 6.778 50 10 JKGE COc1ccc(COC(=O)c2cc(CO[Si](C)(C)C(C)(C)C)ccc2COC(C)=O)cc1 169997494 KGJPAHJQROYGOJ-UHFFFAOYSA-N 458.627 5.637 50 10 JKGE CCCCCOc1ccc(/C=C\C(=O)Oc2ccc(/C=C(\C#N)c3ccccc3)cc2OC)cc1OC 206218372 FYSGFGXEPUYGKW-XJSDHDLZSA-N 497.591 6.956 50 10 JKGE COc1ccc([C@@H](Br)c2cc(F)ccc2Br)c(OC)c1Br 224850694 NYNMLSLIHWRECP-CYBMUJFWSA-N 482.969 5.852 50 10 JKGE C[C@H]1Cc2cc([C@@H](Br)c3ccc(I)c(Cl)c3)ccc2O1 232343497 UWNHXJZGOVMDOS-XXFAHNHDSA-N 463.540 5.752 50 10 JKGE CC1CCC(CBr)(NC(=O)c2cc(Br)sc2Br)CC1 232803622 YCEBJZAAPCEWPO-UHFFFAOYSA-N 474.056 5.347 50 10 JKGE C[C@](CBr)(NC(=O)c1cc(Br)sc1Br)c1ccccc1 235759556 FSNDCPZMQAGOHG-CQSZACIVSA-N 482.035 5.313 50 10 JKGE Fc1cccc(F)c1C[C@H](Br)c1ccc(Br)cc1Br 236189048 QUCHTADRADQIQR-LBPRGKRZSA-N 454.934 6.169 50 10 JKGE COc1ccc(C(/C=C\c2ccc3c(c2)OCO3)=NNC(=O)c2sc3ccccc3c2Cl)cc1 252620734 MKWHACMNMYFWQY-XSCJRJAZSA-N 490.968 6.140 50 10 JKGE Cc1ccc2c(Cl)c(C(=O)NN=Cc3cc4c(cc3Br)OCO4)sc2c1 254375898 IITFMDKWLCHWRE-UHFFFAOYSA-N 451.729 5.118 50 10 JKGE O=C(Nc1ccc(Br)c(I)c1)c1cccc(CCl)c1 305924393 ARFDBQLPSHBHHS-UHFFFAOYSA-N 450.501 5.045 50 10 JKGE Cc1ccc(Cl)cc1[C@@H]1CN(C(=O)OCc2ccccc2)C[C@H]1CI 382737137 XORWLCROTOPEBC-VQIMIIECSA-N 469.750 5.436 50 10 JKGE O=C(N[C@@H](CBr)C1CCCCC1)c1ccc(I)c(Cl)c1 395293674 CJBZVDJDTMEYLA-AWEZNQCLSA-N 470.576 5.018 50 10 JKGE CC(C)(C)OC(=O)NCCN1CCOC[C@H](c2cccc(CCO[Si](C)(C)C(C)(C)C)c2)C1 616664184 QKJRLIJLJPAHBH-HSZRJFAPSA-N 478.750 5.191 50 10 JKGE Brc1cc2c(c([C@@H](Br)c3sccc3Br)c1)OCCC2 688369246 BHQAKOQRIDMHAK-GFCCVEGCSA-N 467.020 6.082 50 10 JKGE C[C@H]1CN(Cc2ccccc2)C[C@@H]1n1c(CCCl)nc2ccc(F)c(Br)c21 689747018 WZSYZEPTBVAGIG-KSSFIOAISA-N 450.783 5.412 50 10 JKGE Cc1sc([C@@H](Cl)c2cccc(F)c2I)c(C)c1Br 724920676 BPFDLIJJVPAAFJ-NSHDSACASA-N 459.549 6.199 50 10 JKGE FC(F)(F)Sc1ccc2c(CBr)c(I)sc2c1 725283735 NXCQZWKWPMGCCD-UHFFFAOYSA-N 453.086 6.013 50 10 JKGE C#CCOc1c(Cl)cc(C=NNC(=O)c2ccc(-n3c(C)ccc3-c3ccccc3)cc2)cc1OC 1083887252 ODEYSBVJDLNCDV-UHFFFAOYSA-N 497.982 5.891 50 10 JKGE CC(C)(C)c1ccc(C(=O)Nc2ccc(C(=O)NN=Cc3cccc(Cl)c3Cl)cc2)cc1 1084144066 TVYQLMQZRWUIDB-UHFFFAOYSA-N 468.384 6.307 50 10 JKGE CCOc1cc(/C=C(/C#N)C(=O)Nc2cccc([N+](=O)[O-])c2)ccc1OC(=O)c1ccc(Cl)cc1 1084459712 YBYNPLURAYWXAQ-PDGQHHTCSA-N 491.887 5.412 50 10 JKGE COC[C@@H](C)n1c(C)cc(/C=C(/C#N)C(=O)N2CCC(c3nc4cc(Cl)ccc4s3)CC2)c1C 1087446405 FTCYEGOOQRAMMY-CTPANLQCSA-N 497.064 5.889 50 10 JKGE Cc1cc(C)cc(NC(=O)c2oc3c(c2C)C(=NNC(=O)c2ccc(Br)cc2)CCC3)c1 1772744085 SCLMLYVNPHKKGR-UHFFFAOYSA-N 494.389 5.690 50 10 JKGE CCc1ccc(NC(=O)[C@H](C)Oc2cccnc2NC(=O)Nc2ccc(SC#N)cc2)cc1 1858839690 GKFJSFJRLNDXGL-INIZCTEOSA-N 461.547 5.267 50 10 JKGE N#CC1=C(N)Oc2c(c(C(F)(F)F)nn2Cc2ccc(Cl)c(Cl)c2)[C@H]1c1ccccc1O 1865707740 FAJSSFPXXGGJDV-INIZCTEOSA-N 481.261 5.181 50 10 JKGE CCCC[C@H](NC(=O)[C@H](c1ccc(OC)cc1)C1CCCC1)C(=O)Nc1ccc(SC#N)cc1 1867011273 JIRJLGYKBFIQAR-DQEYMECFSA-N 479.646 5.856 50 10 JKGE Cc1nc(Nc2ccc(SC#N)cc2)cc(N2CCC[C@H]2c2ccc(C(F)(F)F)cc2)n1 1868480624 QSLDJRUJYCMFHK-FQEVSTJZSA-N 455.509 6.462 50 10 JKGE COc1ccc(-c2csc(/C(C#N)=C(\O)[C@H]3CC(=O)N([C@@H](C)c4ccccc4)C3)n2)cc1C 1872746612 PTYWFEIYAORJSR-MUPLNYLPSA-N 459.571 5.530 50 10 JKGE Cc1cc(C)c(C)c(-c2csc(/C(C#N)=C(\O)CN3C(=O)c4ccc([N+](=O)[O-])cc4C3=O)n2)c1C 1872754219 IPSHCBFNDMOTTI-VZCXRCSSSA-N 488.525 5.041 50 10 JKGE CCOc1c(Br)cc(/C=C(\C#N)c2nc(-c3ccc(C)cc3C)cs2)cc1OC 1872790564 RAZUPUCQAFIIDX-RQZCQDPDSA-N 469.404 6.661 50 10 JKGE COc1cc(Cl)c(C)cc1-c1csc(/C(C#N)=C/c2ccc(OCc3ccccc3C)cc2)n1 1872793993 DVRIGEYSQBHWNM-LPYMAVHISA-N 487.024 7.732 50 10 JKGE CCCOc1ccc(-c2csc(/C(C#N)=C(\O)c3c(F)cccc3Cl)n2)cc1OCCC 1872818320 WZQGYJXHPIWOHI-KQWNVCNZSA-N 472.969 7.130 50 10 JKGE ClC1([C@@H](Br)c2c(Br)sc(Br)c2Br)CC1 1893454174 ULRCSUBUCDFLQA-YFKPBYRVSA-N 488.264 6.243 50 10 JKGE COc1cc(C)c([C@@H](Br)c2cc(Br)c(Cl)s2)cc1Br 1901630448 NJSFPEHGVWRUGM-GFCCVEGCSA-N 489.454 6.728 50 10 JKGE O=C1c2ccccc2C(=O)N1C[C@@H](Br)CCc1cccc(Br)c1Cl 1905439916 VMFQWASLPPQZHL-LBPRGKRZSA-N 471.576 5.095 50 10 JKGE C[C@H](Cl)c1nc2c(Br)cc(F)cc2n1CC(C)(C)N(C)Cc1ccccc1 1912691958 BIPUZOUWANFEDE-AWEZNQCLSA-N 452.799 6.148 50 10 JKGE Cc1c(Br)sc([C@H](Br)[C@@H]2C[C@H]2c2ccccc2)c1Br 1922889975 ZUPOLNJRCFLFTF-DMDPSCGWSA-N 465.048 6.821 50 10 JKGE Fc1ccc(C[C@H](Br)c2sc(Br)cc2Br)cc1F 1922946611 SYQIURLIOHFRPT-ZETCQYMHSA-N 460.963 6.230 50 10 JKGE COc1ccc(Br)cc1[C@H](Br)[C@@H](C)c1ccncc1Br 1924039527 JPQFSUSBGKXUCS-BJOHPYRUSA-N 463.995 5.855 50 10 JKGE CCn1cc([C@H](Br)[C@H](C)c2ccncc2Br)nc1Br 1924056776 NMGLFVVXFPXYAG-PRHODGIISA-N 451.988 5.063 50 10 JKGE CC[C@]1([C@H](Cl)c2c(Br)sc(Br)c2Br)CC1(F)F 1924568172 CJRJHHTUGMTTTH-HZGVNTEJSA-N 473.402 6.751 50 10 JKGE Cc1oc(C)c([C@H](Cl)c2c(Br)sc(Br)c2Br)c1C 1924585215 IZOAXQWDQMCCQQ-JTQLQIEISA-N 477.443 6.882 50 10 JKGE CC(C)CC1([C@@H](Cl)c2c(Br)sc(Br)c2Br)CCCC1 1924596270 LXBHSAQLWVFTOT-NSHDSACASA-N 493.530 7.922 50 10 JKGE Clc1sc(Cl)c([C@@H](Cl)c2cc(Br)cc(Br)c2)c1Cl 1925590696 ZDYQXUVKOKCGDZ-QMMMGPOBSA-N 469.840 7.562 50 10 JKGE Clc1cccc(Cl)c1C[C@H](Br)c1cc(I)sn1 2007642496 CECRXLCFJDPLJU-ZETCQYMHSA-N 462.965 5.733 50 10 JKGE CC(C)Cc1ccc([C@@H](Br)c2cc(Br)c(Br)s2)s1 2027127746 IMYDGGXYQWLRRV-GFCCVEGCSA-N 473.093 7.017 50 10 JKGE CC1(C)CC[C@H](Br)CN1C(=O)c1csc(Br)c1Br 2038511616 OHSMBYWLDBBFKK-ZETCQYMHSA-N 460.029 5.051 50 10 JKGE C[C@@H]1Cc2cc([C@@H](Br)c3occc3Br)cc(Br)c2O1 2090470550 OZABOLNSHNVWFY-JMCQJSRRSA-N 450.952 5.612 50 10 JKGE Brc1cc([C@@H](Br)c2ccc3c(c2)COCC3)sc1Br 2096423784 VEIGGPMPEBCKOS-ZDUSSCGKSA-N 467.020 5.830 50 10 JKGE CC(C)(C)N1C[C@H](Br)[C@H](Cc2ccc(Br)cc2Br)C1 2100732658 ZSGXYDWYEVAPCF-RISCZKNCSA-N 454.044 5.248 50 10 JKGE BrCc1c(Br)cccc1N1[C@H]2CCC[C@H]1CN(Cc1ccccc1)CC2 2110315234 GEWBVESXQCWAPZ-OALUTQOASA-N 478.272 5.977 50 10 JKGE O=C(c1scc(Br)c1Br)N1[C@H]2CC[C@@H]1C[C@H](CBr)C2 2128150431 UTNVIIFGKSHIJZ-AYMMMOKOSA-N 472.040 5.051 50 10 JKGE Cc1c(Br)ccc([C@H](Br)c2ccc(Cl)c(F)c2)c1Br 2138848336 ANYFCKQZANCZQN-CQSZACIVSA-N 471.389 6.797 50 10 JKGE CCCC1CCC([C@@H](Br)c2ccc(Br)cc2Br)CC1 2138875887 KGKGRONRUAGUOG-ZEPSKSRBSA-N 453.056 7.254 50 10 JKGE FC1(F)CC[C@H](COc2c(Br)cc(CBr)cc2Br)OC1 2145048494 ADEOTYXAVNWCCL-SECBINFHSA-N 478.953 5.300 50 10 JKGE COc1cc(Br)c(C)cc1[C@@H](Br)c1cc(Cl)cc(Br)c1 2145954146 BPVLFPONLYJFQH-HNNXBMFYSA-N 483.425 6.666 50 10 JKGE ClCCc1nc2cc(Br)c(Cl)cc2n1Cc1ccn(Cc2ccccc2)n1 2159886496 UWLRULLLMWTTFG-UHFFFAOYSA-N 464.194 5.527 50 10 JKGE COc1ccc(C[C@@H](Cl)c2ccc(I)c(Br)c2)cc1F 2168408963 XEERIUBYCKMNJZ-GFCCVEGCSA-N 469.519 5.724 50 10 JKGE Cc1cc(Br)c(C)c([C@@H](Br)[C@H]2CC23CCCCC3)c1Br 2201069484 CXQNQSVKAFNYOR-WBMJQRKESA-N 465.067 7.235 50 10 JKGE Cc1cc(Br)c(C)c([C@H](Br)c2cccc(Cl)c2C)c1Br 2201072750 VZESICZAWNPMCS-MRXNPFEDSA-N 481.453 7.275 50 10 JKGE COc1cc([C@@H](Br)c2ccc(Br)c(C)c2Br)ccc1C 2203685204 JKLKBJWOBKNHJN-MRXNPFEDSA-N 463.007 6.321 50 10 JKGE COc1c(C)cc(Br)cc1[C@H](Br)c1nn(C)c(Br)c1C 2206587101 OYNLWSXOPBHMBU-NSHDSACASA-N 466.999 5.055 50 10 JKGE Cc1cccc([C@@H](Cl)c2c(C)sc(Br)c2C)c1I 2218806174 RPRMCABWUPHVRT-GFCCVEGCSA-N 455.586 6.369 50 10 JKGE CCCCCCCCCCCO[C@H]1CN(C(=O)OC(C)(C)C)C[C@H]1I 2223236102 YCIORPXSHBQXSF-MSOLQXFVSA-N 467.432 5.957 50 10 JKGE FC1(F)C[C@]12C[C@H]2[C@H](Br)c1c(Br)cc(Cl)c(Cl)c1Cl 2224304392 IZDXYOYYCZZLLS-FCBCCEKLSA-N 455.351 6.891 50 10 JKGE Clc1cc(Br)c([C@@H](Br)[C@H]2CCCOCC2)c(Cl)c1Cl 2224317195 LMELMWPZDBHQTA-CPCISQLKSA-N 451.413 6.662 50 10 JKGE C[C@]1([C@@H](Br)c2cc(Br)c(Br)cc2F)C[C@H]1C(F)(F)F 2225615660 KEEUCBNEHAGFCW-VWYCJHECSA-N 468.908 6.375 50 10 JKGE COc1cc([C@H](Br)c2c(C)sc(Br)c2C)ccc1Br 2225867274 PUPZAEFNTUXIND-ZDUSSCGKSA-N 469.036 6.383 50 10 JKGE Cc1cc(Br)c([C@H](Br)[C@@H]2C[C@H]3CCC[C@H]32)c(C)c1Br 2227361272 BCUVRAYQRMERMV-DSZLRUIBSA-N 451.040 6.701 50 10 JKGE Clc1cc(Cl)cc(C[C@H](Br)c2cccc(Br)c2Br)c1 2232132812 BOHSKFWPPGRKAB-ZDUSSCGKSA-N 487.844 7.197 50 10 JKGE Cc1ccc([C@@H](Cl)c2cc(Br)c3c(c2)CCO3)cc1I 2232838020 ZXKMEQSJTTXCKT-OAHLLOKOSA-N 463.540 5.625 50 10 JKGE Clc1cc(CN2CC[C@@H]3[C@@H](Br)CCC[C@H]3C2)ccc1I 2233836442 KZUZTPVPUOCCLM-IHRRRGAJSA-N 468.604 5.330 50 10 JKGE Cc1sc([C@@H](Br)c2cc(Br)cc3c2O[C@H](C)C3)cc1Br 2234480154 PGTIRONTEHVSBA-UOWDBTKRSA-N 481.047 6.389 50 10 JKGE Cc1cc(Br)c([C@H](Br)C2CC(CC3CC3)C2)c(C)c1Br 2235602649 DSNROUXYBVBIQF-QWQCLYJRSA-N 465.067 7.091 50 10 JKGE Cc1cc(C(=O)N[C@@H](C)CCCCCI)cc(C)c1Br 2235683214 IOGBCWRONDTDIS-ZDUSSCGKSA-N 452.174 5.180 50 10 JKGE COc1cc(Br)c([C@H](Br)c2sc(C)cc2Br)cc1OC 2237632775 CFGUCXICGPSCSN-ZDUSSCGKSA-N 485.035 6.083 50 10 JKGE COc1ccc([C@@H](Cl)c2cc(Br)c(C)cc2Br)c(Br)c1 2240821360 CODYCQNWBZPAFS-OAHLLOKOSA-N 483.425 6.619 50 10 JKGE Cc1ccc(I)c([C@H](Br)c2ccc([C@H]3CCOC3)s2)c1 2240998617 XRBGZVRRBHEHCD-ZBEGNZNMSA-N 463.178 5.649 50 10 JKGE CCN(C[C@](C)(CI)OC[C@@H]1CCC12CCC2)C(=O)OC(C)(C)C 2247315989 GULCODXSJRNDBO-YJBOKZPZSA-N 451.389 5.034 50 10 JKGE Fc1cc(Cl)c([C@@H](Br)c2c(F)cccc2I)cc1Cl 2267664240 WWPHAYRZTOORCX-CYBMUJFWSA-N 477.901 6.361 50 10 JKGE COc1ccc([C@H](Br)c2c(C)cccc2Br)cc1I 2269540478 GTCWMHIWAACYDZ-HNNXBMFYSA-N 495.980 5.855 50 10 JKGE CC1CC2(C1)CC([C@H](Br)c1cc(Br)c(Br)cc1F)C2 2272231407 DPCZERJTPMEVSM-UUHZRANKSA-N 455.003 6.613 50 10 JKGE Brc1cc(Br)cc(C[C@@H](Br)c2ncn3ccsc23)c1 2277892666 VTFJHNXSGURMCJ-LLVKDONJSA-N 465.008 5.600 50 10 JKGE Brc1cc(Br)cc(C[C@H](Br)C[C@@H]2CCC[C@H]3C[C@@H]32)c1 2277956184 PQHAERDHOGMVSI-WFGGJUAMSA-N 451.040 6.344 50 10 JKGE COc1cc(OCc2ccc(I)c(Cl)c2)ccc1CBr 2282825072 KSGSSNOJAXQGNP-UHFFFAOYSA-N 467.528 5.427 50 10 JKGE Fc1cc([C@@H](Br)c2ccc(F)c(Br)c2F)c(Cl)cc1Br 2282898902 KVNKYVWVYQIZCS-NSHDSACASA-N 493.342 6.767 50 10 JKGE COc1ccc([C@H](Br)c2cc(F)c(F)cc2Cl)cc1I 2285003653 RFPWYTBJRJSJTJ-AWEZNQCLSA-N 473.482 5.716 50 10 JKGE Cc1cc(Cl)c(Cl)cc1[C@@H](Cl)c1cc(Br)c(Br)cc1F 2286514394 LDDCQEQGRAPGIW-CQSZACIVSA-N 461.383 7.294 50 10 JKGE C[C@@H]1O[C@H](C)[C@H]([C@@H](Br)c2c(F)cc(Br)c(F)c2Br)[C@@H]1C 2288375197 BDJUWUVLKLAWOF-GJZAECLPSA-N 476.981 5.985 50 10 JKGE Cc1cccc(Oc2c(C(F)(F)F)oc3cc(OC(=O)C(C#N)=Cc4ccccc4)ccc3c2=O)c1 2293189777 GLUSWBUCGITHLP-UHFFFAOYSA-N 491.421 6.425 50 10 JKGE COCC1([C@H](Br)c2ccc(Br)c(C)c2Br)CC(F)(F)C1 2295607912 WLSVJFSRZDMNJI-GFCCVEGCSA-N 476.981 6.018 50 10 JKGE COc1ccc(OC)c(C=C(C#N)c2nc(-c3cc4c(ccc5ccccc54)oc3=O)cs2)c1 2296795990 CCLHJBSRJBZUFX-UHFFFAOYSA-N 466.518 6.151 50 10 JKGE COc1ccc2cc(C=C(C#N)c3nc(-c4ccc(Br)cc4)cs3)c(Cl)nc2c1 2297315472 RNBWVRFCCNGREH-UHFFFAOYSA-N 482.790 6.847 50 10 JKGE Cc1ccc(C)c(NC(=O)C(C#N)=Cc2ccc(OCc3ccccc3)c(Br)c2)c1 2313511236 VOKSTBVQRMZBOT-UHFFFAOYSA-N 461.359 6.191 50 10 JKGE CCOc1cc(C=C(C#N)C(=O)NCc2cccs2)ccc1OCc1ccc(Br)cc1 2313540551 HJZNOYZVXQQYMB-UHFFFAOYSA-N 497.414 5.712 50 10 JKGE Cc1cc(C=C(C#N)C(=O)NCCc2c[nH]c3ccccc23)c(C)n1-c1ccc(Cl)c(C(=O)O)c1 2313556416 ZNMPJJJBSSLTCS-UHFFFAOYSA-N 486.959 5.193 50 10 JKGE N#CC(=Cc1ccc(OCc2ccc(Cl)cc2Cl)cc1)C(=O)Nc1cccc(Cl)c1Cl 2313570759 FQFKAXKRTXTBQP-UHFFFAOYSA-N 492.189 7.425 50 10 JKGE N#CC(=Cc1cn(Cc2ccc(Cl)cc2)c2ccc(Br)cc12)C(=O)NC1CC1 2313624083 LTOBEMAZCVJGMI-UHFFFAOYSA-N 454.755 5.291 50 10 JKGE N#CC(=Cc1cn(Cc2ccccc2Cl)c2ccc(Br)cc12)C(=O)NC[C@@H]1CCCO1 2313624158 NZRQLNJBJWPXPJ-FQEVSTJZSA-N 498.808 5.308 50 10 JKGE N#CC(=C(O)c1ccc(S(=O)(=O)N2CCCC2)cc1)c1nc2cc(C(F)(F)F)ccc2s1 2314482983 LEBYBFAVLKBSBP-UHFFFAOYSA-N 479.505 5.049 50 10 JKGE Cc1cccc(NC(=O)C(C#N)=Cc2c(Oc3ccc(Cl)c(C)c3)nc3c(C)cccn3c2=O)c1 2314534145 ZJXIFMVJDHXRDC-UHFFFAOYSA-N 484.943 5.611 50 10 JKGE CCCCOc1cc(C=C(C#N)C(=O)Nc2sc3c(c2C(=O)OCC)CCCC3)ccc1OC 2314571135 BPJVBCZVCITWAA-UHFFFAOYSA-N 482.602 5.537 50 10 JKGE Cc1ccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)C=Cc4ccc(C(C)(C)C)cc4)ccc32)o1 2314634519 DHYFOJVEQLLRDI-AREMUKBSSA-N 454.526 5.723 50 10 JKGE Clc1cc(Oc2cc(Br)cc(Br)c2)ccc1CBr 2316758159 PPOMEZROKZQLOX-UHFFFAOYSA-N 455.371 6.552 50 10 JKGE COc1cc(C)ccc1[C@H](Br)c1sc(Cl)cc1I 2316769659 BSRKRMAXFDPPDE-LBPRGKRZSA-N 457.558 5.807 50 10 JKGE BrCc1ccccc1OCc1cc(I)ccc1Br 2319167553 SVTVDACFMQPZPU-UHFFFAOYSA-N 481.953 5.528 50 10 JKGE CC(C)(C)c1ccc(C=CC(O)=C(C#N)c2nc(-c3ccc(Br)cc3)cs2)cc1 2331260429 HLQHKXCUCKQGAK-UHFFFAOYSA-N 465.416 7.376 50 10 JKGE COc1cc(-c2csc(C(C#N)=C(O)COc3ccc(C)cc3C(C)(C)C)n2)c(OC)cc1Cl 2331376959 PJDVGULFPQSCLF-UHFFFAOYSA-N 499.032 6.958 50 10 JKGE Cc1ccc(C(C)(C)C)cc1-c1csc(C(C#N)=C(O)C=Cc2ccc(Cl)cc2Cl)n1 2331396438 YGENUZOYYJIHKP-UHFFFAOYSA-N 469.437 8.229 50 10 JKGE CCCOc1c(Br)cc(C=C(C#N)c2nc(-c3ccc(OCC)cc3)cs2)cc1OC 2331440408 PBRJXOVVPJSPDP-UHFFFAOYSA-N 499.430 6.833 50 10 JKGE COc1ccc(C)cc1-c1csc(C(C#N)=Cc2ccc(OCc3ccc(C)cc3)cc2)n1 2331448791 AHWZFSNNJXYJHR-UHFFFAOYSA-N 452.579 7.079 50 10 JKGE CCCCCOc1ccc(C=C(C#N)c2nc(-c3ccc(Cl)s3)cs2)cc1OCC 2331484957 FMTPCLDGUZOCGY-UHFFFAOYSA-N 459.036 7.557 50 10 JKGE Fc1c(Br)cc(Cl)c([C@H](Br)C(F)(F)CC2CC2)c1Br 2337111616 NRABKCZZRZJFJP-NSHDSACASA-N 485.363 6.876 50 10 JKGE COc1ccc(C[C@@H](Br)c2sc(Br)cc2C)c(Br)c1 2338888573 FGWZKEJDIICPOD-GFCCVEGCSA-N 469.036 6.269 50 10 JKGE Cc1cc([C@H](Br)c2c(C)cc(Br)c(F)c2Br)c(C)o1 2339647017 WWXALAZTCDXQDZ-LBPRGKRZSA-N 454.959 6.353 50 10 JKGE Cc1cc(Br)c(F)c(Br)c1[C@H](Br)[C@H]1[C@H]2OCCC[C@@H]21 2339655851 HXFOYLADFORAST-XVVMBKRBSA-N 456.975 5.520 50 10 JKGE Cc1cc(Br)c([C@H](Br)c2csc(C)c2Br)c(C)c1F 2343561969 BRHCDVWNEXSVOE-CYBMUJFWSA-N 471.027 6.822 50 10 JKGE Brc1cc(CN2CC[C@H]3C[C@H](Br)CC[C@H]32)ccc1I 2349824776 AIFWTAJWNUYSIE-YWPYICTPSA-N 499.028 5.192 50 10 JKGE Clc1ccc(I)cc1CN1CC[C@@H]2C[C@H](Br)CC[C@H]21 2352410058 DUZIJHYNQPISMY-IXPVHAAZSA-N 454.577 5.083 50 10 JKGE C[C@]1(C(F)(F)F)C[C@@]1(CBr)Cc1cc(I)ccc1Cl 2352416829 AEPCYPKHIMGBBQ-NWDGAFQWSA-N 467.494 5.841 50 10 JKGE C=CC[C@@]1(CBr)CCN(Cc2cc(I)ccc2Cl)C1 2352430917 AFKPPJIYQWOXPK-HNNXBMFYSA-N 454.577 5.108 50 10 JKGE Fc1c(Br)cc(Cl)c([C@H](Cl)C[C@@H]2C[C@H]2C(F)(F)F)c1Br 2362222418 IGKVUISRDUMNQT-HBPOCXIASA-N 458.902 6.873 50 10 JKGE Fc1c(Br)cc(Cl)c([C@@H](Br)[C@H]2CCCCC2(F)F)c1Br 2362231291 VTUPTRCTTCIJPU-LDWIPMOCSA-N 499.390 7.266 50 10 JKGE CCC12COC([C@H](Br)c3c(Cl)cc(Br)c(F)c3Br)(C1)C2 2362239383 YBJPXXVUDJWJLH-IYXRBSQSSA-N 491.420 6.399 50 10 JKGE Clc1ccc(CN2CC[C@@H]3CC[C@@H](Br)C[C@@H]3C2)cc1I 2362369002 TYGDXQRIYUCVND-BFHYXJOUSA-N 468.604 5.330 50 10 JKGE CCC[C@H](CBr)CN1CC[C@@H](CCNC(=O)OC(C)(C)C)C[C@H]1C(F)(F)F 2362785647 BHNYWEIOAMUPLC-OAGGEKHMSA-N 459.391 5.355 50 10 JKGE COc1c(F)cc([C@@H](Br)c2c(F)cccc2I)cc1F 2370445138 MATNEJOSGAWYNB-CYBMUJFWSA-N 457.027 5.201 50 10 JKGE COc1ccc(C[C@H]2S/C(=C(/C#N)C(=O)Nc3cccc(C)c3C)N(c3ccccc3)C2=O)cc1 2222216 BCUJIUAEEFONRN-RAMZYJDASA-N 483.593 5.377 50 10 JKGE CCCCCCOc1ccccc1C(=O)NC(=S)NNC(=O)C(c1ccccc1)c1ccccc1 14033006 GPICUVZEVRTAGH-UHFFFAOYSA-N 489.641 5.113 50 10 JKGE CCCOc1ccc(-c2nn(-c3ccccc3)cc2/C=C2/C(=O)N(CC(C)C)C(=O)C(C#N)=C2C)cc1 38605517 TVCAPYCQWDGUOY-WGOQTCKBSA-N 494.595 5.576 50 10 JKGE N#CC1=C(N)Oc2cc(OC(=O)c3ccc(Cl)cc3)ccc2[C@H]1c1ccc(Br)cc1 38651581 DYYLMDMMWHDTAP-OAQYLSRUSA-N 481.733 5.540 50 10 JKGE CCCCOc1ccccc1[C@H]1C(C#N)=C(N)Oc2cc(OC(=O)c3cccc4ccccc34)ccc21 38682957 SEDZPMBHKWUYSA-GDLZYMKVSA-N 490.559 6.456 50 10 JKGE N#C/C(=C\c1ccc(-c2ccc(Br)cc2)o1)C(=O)Nc1cc(Cl)ccc1Cl 39884594 LNWDFCOSJCCMML-UKTHLTGXSA-N 462.130 6.562 50 10 JKGE Cc1c(C(=O)N(Cc2ccccc2)Cc2ccccc2)oc2c1/C(=N/NC(=O)c1ccccn1)CCC2 40814285 RFFNNRGZSIFMMD-FEZSWGLMSA-N 492.579 5.296 50 10 JKGE Cc1cc(C)cc(NC(=O)c2oc3c(c2C)/C(=N/NC(=O)c2ccc(-c4ccccc4)cc2)CCC3)c1 40822595 SVWLTBPJNOMLCM-MHTZHOPKSA-N 491.591 6.595 50 10 JKGE CCCCOc1ccc(/C=C(\C#N)C(=O)Nc2nc(-c3ccc4c(c3)CCCC4)cs2)cc1 41013305 FXGFMRXHHIBWGY-HZHRSRAPSA-N 457.599 6.413 50 10 JKGE COc1cccc(C(=O)N/N=C\c2ccc(Oc3ccc(C(F)(F)F)cc3[N+](=O)[O-])cc2)c1 59462956 DELXAXSYAGZLEE-ZMFRSBBQSA-N 459.380 5.178 50 10 JKGE Cc1cc(NC(=O)/C(C#N)=C\c2ccc(-c3ccc(SC(F)F)cc3)o2)n(-c2ccccc2)n1 61945032 BUGBPHJTKKXXNZ-JXAWBTAJSA-N 476.508 6.301 50 10 JKGE Cc1cc(/C=C(/C#N)C(=O)N2CCn3c2nc2ccccc23)c(C)n1-c1cccc2ccccc12 95949654 SBFNTGGKBQNMQM-QJOMJCCJSA-N 457.537 5.551 50 10 JKGE BrCC1(COc2ccc(Br)cc2Br)CCCCCC1 96870628 DYGQVZMKASPKFM-UHFFFAOYSA-N 455.028 6.326 50 10 JKGE Brc1cccc(Br)c1O[C@H]1C[C@@H](Br)C12CCCCCC2 97638417 RBULJNMIHHHASP-KGLIPLIRSA-N 467.039 6.467 50 10 JKGE CCCCCCCCCCCCCCCCNc1ncnc(NNC(=O)COc2ccccc2)c1N 101531904 YVUKYBWMUSOCIK-UHFFFAOYSA-N 498.716 6.474 50 10 JKGE COc1cc(Br)c([C@@H](Br)c2cc(F)ccc2Br)cc1OC 109860170 CHYOEXBPDQZJTG-HNNXBMFYSA-N 482.969 5.852 50 10 JKGE Cc1ccc([C@H](Br)c2cc(Br)c(C)cc2Br)c(F)c1 128783467 KSGAMDOXLSHRCG-HNNXBMFYSA-N 450.971 6.452 50 10 JKGE COc1cc([C@@H](Br)Cc2ccc(Br)cc2)c(OC)cc1Br 134298987 MMLRHTFBFVQGCE-ZDUSSCGKSA-N 479.006 5.908 50 10 JKGE CCCCNC(=O)/C(C#N)=C\c1ccc(OC(=O)CCCOc2ccc(C(C)(C)C)cc2)c(OC)c1 207143645 NPAJWLFBUQGNHY-PYCFMQQDSA-N 492.616 5.581 50 10 JKGE CCOc1cc(/C=C2\C(=O)N([C@@H](C)c3ccccc3)C(=O)C(C#N)=C2C)ccc1OCC(C)C 214342660 GKNQOWABVCJKFU-FVHJOOJJSA-N 458.558 5.474 50 10 JKGE CCOc1cc(/C=C2\C(=O)N(C3CCCCC3)C(=O)C(C#N)=C2C)ccc1OCc1ccc(F)cc1 214367804 FWDXVNZFHDOQDY-IWIPYMOSSA-N 488.559 5.728 50 10 JKGE CC(C)Cc1ccc([C@@H](Br)c2cc(Br)cc(Br)c2)cc1 232655248 XJFBOTWZIOTYRH-QGZVFWFLSA-N 461.035 6.894 50 10 JKGE COc1cc(F)c(Br)cc1[C@@H](Br)c1cc(Br)ccc1F 234862316 IKSKNXHNPUMRFC-AWEZNQCLSA-N 470.933 5.983 50 10 JKGE COc1cc(F)c(Br)cc1[C@H](Br)c1cc(Cl)cc(Br)c1 234913027 GPXDJFXNHYKZIV-CQSZACIVSA-N 487.388 6.497 50 10 JKGE Cc1sc([C@@H](Cl)c2ccc(Br)cc2Br)cc1Br 235971866 VCZXEJXFPZSOOP-LBPRGKRZSA-N 459.428 6.672 50 10 JKGE COc1ccc(C(=O)Nc2ccc(C(C)=NNC(=O)CC34CC5CC(CC(C5)C3)C4)cc2)cc1OC 254302844 QDKBYEQXZRKCFD-UHFFFAOYSA-N 489.616 5.403 50 10 JKGE 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 257372762 APYOKISKLZLBOK-YFJJADQASA-N 486.741 5.110 50 10 JKGE Brc1cc([C@H]2CCC[C@H](CI)O2)sc1Br 307331951 ZWQZTXLQBPSGOD-HTRCEHHLSA-N 465.976 5.318 50 10 JKGE Cl[C@H](c1ccc(I)cc1)c1cc(I)cc2c1OCC2 381650382 JDXYZTMXNKHPRH-CQSZACIVSA-N 496.513 5.159 50 10 JKGE CC(C)(C)OC(=O)Nc1cccc([C@H]2CCc3ccccc3N2CCO[Si](C)(C)C(C)(C)C)c1 616668401 JLKDYDBQPZSCIG-RUZDIDTESA-N 482.741 7.549 50 10 JKGE Brc1ccoc1[C@@H](Br)c1csc2c(Br)cccc12 696515189 WDKIFWRBJQIFDQ-NSHDSACASA-N 450.977 6.504 50 10 JKGE C[C@@H](Br)c1ccccc1NC(=O)c1scc(Br)c1Br 705421545 YGOWQAMPKXPTHA-SSDOTTSWSA-N 468.008 5.981 50 10 JKGE Fc1ccc(C[C@H](Br)c2scc(Br)c2Br)c(F)c1 705489078 BMMHQOTUHRENQN-QMMMGPOBSA-N 460.963 6.230 50 10 JKGE Cc1sc(C)c([C@@H](Cl)c2ccc(I)c(Br)c2)c1C 722500860 LUAXSEHDXKPZEB-AWEZNQCLSA-N 455.586 6.369 50 10 JKGE O=C(N[C@H]1CCc2ccccc21)[C@@H](c1cccs1)N(C(=O)CCl)c1cccc(C(F)(F)F)c1 725238690 WJALURBIZZAUQT-SIKLNZKXSA-N 492.950 5.884 50 10 JKGE Cc1ccc(-n2c(C)c(Br)c(C=NNC(=O)COc3ccccc3C)c2C)cc1C 1084181657 HIDDUYGJQQJRBY-UHFFFAOYSA-N 468.395 5.311 50 10 JKGE O=C(CCCNc1ccc(Br)cc1)NN=Cc1ccc(OCc2ccc(F)cc2)o1 1084250215 SVRDVBQRWABJJE-UHFFFAOYSA-N 474.330 5.103 50 10 JKGE O=C(CSc1nc2ccccc2[nH]1)NN=Cc1cc(Br)ccc1OCc1ccccc1 1084533713 IGLNMBNJMTXKBG-UHFFFAOYSA-N 495.402 5.147 50 10 JKGE CCOc1ccc([C@H]2CN(C(=O)OCc3ccccc3)C[C@H]2CBr)cc1OCC 1614624367 PKHFCHGNONHGIJ-WOJBJXKFSA-N 462.384 5.231 50 10 JKGE CCCCCCOc1ccc(C=NNC(=O)COc2c(C)cc(Br)cc2C)cc1 1772753577 OYTCJWJCXRMOML-UHFFFAOYSA-N 461.400 5.554 50 10 JKGE CC(C)CCC[C@@H](C)[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@@]21C 1848665545 XOLVVFSHDULKRS-IXCHDFHXSA-N 477.173 8.567 50 10 JKGE N#CC1=C(N)Oc2c(c(C(F)(F)F)nn2-c2ccccc2Cl)[C@@H]1c1ccc(Cl)cc1Cl 1865685416 IJLJIWGSTQARGN-OAHLLOKOSA-N 485.680 6.069 50 10 JKGE CC(C)c1ccc([C@@H]2C(C#N)=C(N)Oc3c2c(C(F)(F)F)nn3Cc2ccccc2Cl)cc1 1865685570 KLXOYQMDRBVBDN-LJQANCHMSA-N 472.898 5.945 50 10 JKGE N#CC1=C(N)Oc2c(c(-c3ccccc3)nn2Cc2ccccc2Cl)[C@@H]1c1ccccc1Cl 1865686300 UJLJLOWOUWMEPC-JOCHJYFZSA-N 473.363 6.123 50 10 JKGE Cc1ccc([C@@H]2C(C#N)=C(N)Oc3c2c(-c2ccccc2)nn3Cc2ccccc2Cl)cc1 1865686579 XHNOKKCYKRGIRE-HSZRJFAPSA-N 452.945 5.778 50 10 JKGE COc1ccc(-c2nn(-c3ccc(C)cc3)c3c2[C@H](c2cc(C)ccc2O)C(C#N)=C(N)O3)cc1 1865686803 BHXHFBGLXAUFOU-XMMPIXPASA-N 464.525 5.089 50 10 JKGE COc1ccc(-c2nn(-c3ccc(Cl)c(Cl)c3)c3c2[C@@H](c2cccn2C)C(C#N)=C(N)O3)cc1 1865699295 PSEOQQBEAPUBGD-OAQYLSRUSA-N 492.366 5.411 50 10 JKGE Cc1ccc(-c2ccc(C(=O)NNC(=O)[C@H](C)Oc3ccc(Cl)cc3Cl)c(C)n2)cc1C 1865756329 RZVFIUBCLZTCAX-INIZCTEOSA-N 472.372 5.209 50 10 JKGE N#C/C(=C\c1cccc(Br)c1)C(=O)Nc1nc(-c2ccc3ccccc3c2)cs1 1866131909 SUKFSPKFZCBOGA-VXLYETTFSA-N 460.356 6.271 50 10 JKGE CCCCCCCCCOc1ccc(/C=C(\C#N)c2nc3ccc(C)cc3[nH]2)cc1Br 1872728147 PPMGODGYEVGGFO-LTGZKZEYSA-N 480.450 7.827 50 10 JKGE COc1cccc(/C=C(\C#N)c2ncccc2[N+](=O)[O-])c1OCc1ccc(Cl)c(Cl)c1 1872729133 OWCGYALFZKCCEF-LFIBNONCSA-N 456.285 5.948 50 10 JKGE CCc1cccc(C)c1N1C[C@H](/C(O)=C(\C#N)c2nc(-c3ccc(OC)c(OC)c3)cs2)CC1=O 1872745585 UPSQCRPMTAIPEO-LMRHOSECSA-N 489.597 5.544 50 10 JKGE CCOc1ccccc1OC/C(O)=C(\C#N)c1nc(-c2ccc(Br)cc2)cs1 1872746328 CIIYUMDBKCXLRE-VLGSPTGOSA-N 457.349 5.843 50 10 JKGE CC[C@@H](C)[C@H](/C(O)=C(\C#N)c1nc(-c2ccc([N+](=O)[O-])cc2)cs1)N1C(=O)c2ccccc2C1=O 1872747282 VYFGMLCFLCHZDO-UCNANMCJSA-N 488.525 5.222 50 10 JKGE Cc1cc(C)c(C)c(-c2csc(/C(C#N)=C(\O)COc3cc(Cl)ccc3Cl)n2)c1C 1872754427 SBMACFFTMMEAKI-JZJYNLBNSA-N 459.398 7.222 50 10 JKGE COc1cc(/C=C/C(O)=C(\C#N)c2nc(-c3cc(C)cc(C)c3OC)cs2)cc(OC)c1OC 1872755109 YVWOIZUMXDITFM-BQTOGIIBSA-N 478.570 5.967 50 10 JKGE O=C(NC[C@H]1CC[C@H](CBr)CC1)c1cc(Br)cc(Br)c1 1922704417 PVECEAUKDRROAB-XYPYZODXSA-N 468.027 5.143 50 10 JKGE Cc1c(Br)sc([C@@H](Cl)c2cc(Br)ccc2F)c1Br 1922945480 GYIZISLUVOMSCI-JTQLQIEISA-N 477.418 6.811 50 10 JKGE Cc1c(F)cccc1[C@@H](Br)c1c(Br)sc(Br)c1Cl 1923049661 NGDGVEOEFWXHCR-SECBINFHSA-N 477.418 6.858 50 10 JKGE C[C@H](c1ccncc1Br)[C@@H](Cl)c1cc(Cl)ccc1I 1924042813 DTATWEUXUGLJJW-XLKFXECMSA-N 470.963 6.186 50 10 JKGE CCc1sc(Br)cc1[C@@H](Br)c1cscc1OCc1ccccc1 1939530187 ZSXANSHUDHJSRG-GOSISDBHSA-N 472.267 7.198 50 10 JKGE Cc1cc([C@H](Br)c2sc(Cl)cc2Br)c(Br)s1 1939963196 YTAMNIYVAOOUDY-QMMMGPOBSA-N 465.457 6.781 50 10 JKGE Cc1cc([C@H](Br)c2cc(Br)c(Cl)cc2F)sc1Br 2036573362 WUMFTUMNCGOGOU-LLVKDONJSA-N 477.418 6.858 50 10 JKGE CCc1nn(C)c([C@H](Br)c2cc(Br)c(Cl)s2)c1Br 2072303353 WYIHISRGSKANSL-SECBINFHSA-N 477.447 5.707 50 10 JKGE Fc1c(-n2nc(CBr)c(Br)c2C(F)(F)F)cccc1C(F)(F)F 2079233394 UPGKAGDBXRPWDY-UHFFFAOYSA-N 469.980 5.706 50 10 JKGE COc1c(C)cc(Br)cc1[C@@H](Br)c1nscc1Br 2085627633 JLCCYSPVUQUEHI-SNVBAGLBSA-N 455.997 5.469 50 10 JKGE COCc1cc(Br)c([C@@H](Cl)Cc2ccccc2I)s1 2087570996 YAZVWGJRRHYTHB-LBPRGKRZSA-N 471.585 5.784 50 10 JKGE C[C@@]1(CC(CBr)(CBr)c2ccccc2Br)CCCO1 2096624760 MZVHPONVOXZBLN-AWEZNQCLSA-N 455.028 5.436 50 10 JKGE C[C@H](Cl)c1nc2cc(Cl)c(Br)cc2n1-c1cnn(Cc2ccccc2)c1 2112697912 XRDLCKCUFCSIPW-LBPRGKRZSA-N 450.167 5.986 50 10 JKGE CN(C(=O)c1csc(Br)c1Br)C1CCC(CBr)CC1 2114663934 AWSCBIPAOVAEAR-UHFFFAOYSA-N 474.056 5.299 50 10 JKGE CN(CCCOCc1ccccc1)S(=O)(=O)c1ccc(Cl)c(CBr)c1Cl 2123253945 GYGICZQJFQVZMV-UHFFFAOYSA-N 481.239 5.116 50 10 JKGE FC1(F)[C@@H]([C@@H](Br)c2ccc(Br)cc2Br)C12CCCC2 2138864219 NYJMKYFKRJNAKE-RYUDHWBXSA-N 458.966 6.473 50 10 JKGE Cc1c(Br)sc([C@@H](Br)[C@@H]2C[C@H]3COC[C@H](C3)C2)c1Br 2141800461 RLOFGKIMOWYWMM-XNDJQWLSSA-N 473.068 6.080 50 10 JKGE CCOc1ccc(Br)cc1[C@H](Cl)c1cccc(Br)c1Br 2148751284 PSDARNVTAJJGLW-OAHLLOKOSA-N 483.425 6.701 50 10 JKGE Cc1cc(Br)c([C@@H](Br)c2ccc(C3CC3)cc2)cc1Br 2153903492 UYQCVOXKTXKAFN-KRWDZBQOSA-N 459.019 6.882 50 10 JKGE FC1(F)[C@H]2C[C@H](COc3c(Br)cc(CBr)cc3Br)C[C@H]21 2164326587 HOLJXQOEDQCSAQ-OWUUHHOZSA-N 474.965 5.777 50 10 JKGE Cc1cc(Br)c(CBr)c(N(C)Cc2sc(Br)cc2C)c1 2173444667 NGYBNDUUCLSYCU-UHFFFAOYSA-N 482.079 6.421 50 10 JKGE FC(F)(F)[C@@]1(CBr)CCN(Cc2cc(Br)ccc2Br)C1 2175140282 SPMHINHYCBOZEH-GFCCVEGCSA-N 479.960 5.361 50 10 JKGE CCCC(CBr)(CCC)CN1CCN(C(=O)OC(C)(C)C)[C@@H](CC(F)F)C1 2177312423 PPWWJIMAJNRYAE-INIZCTEOSA-N 455.428 5.544 50 10 JKGE COc1cc2c(cc1Br)nc(CCCl)n2[C@@H](C)CN(C)Cc1ccccc1 2202307395 ACYGWDUHKVAEHW-HNNXBMFYSA-N 450.808 5.282 50 10 JKGE Cc1cc([C@H](Br)c2ccc(-c3cccs3)s2)ccc1I 2207097228 OVPRBKFNRWKBGO-INIZCTEOSA-N 475.214 6.874 50 10 JKGE Cc1cc(Br)cc(CCl)c1OCc1ccc(I)c(Cl)c1 2208038516 DXKCSYGKMMTWQO-UHFFFAOYSA-N 485.974 6.333 50 10 JKGE CCOCc1cc(Br)c([C@H](Br)c2cccc(Br)c2)s1 2224783541 TUGHOTONKOYGMX-CYBMUJFWSA-N 469.036 6.294 50 10 JKGE Fc1cc(Br)c(Br)cc1[C@H](Br)C(F)(F)[C@@H]1CCOC1 2225617176 MGZGMVUAGPKUAL-KBUNVGBDSA-N 466.917 5.459 50 10 JKGE Cc1sc([C@H](Br)c2cc(F)c(Br)cc2F)c(Br)c1C 2229320314 RZMCAQZRISWRGP-GFCCVEGCSA-N 474.990 6.652 50 10 JKGE Clc1cc(Cl)cc(C[C@H](Cl)c2cc(I)ccc2Br)c1 2232135474 HJLMDBRHSAUMEJ-AWEZNQCLSA-N 490.393 6.883 50 10 JKGE CCOCc1cc(Br)c([C@H](Br)c2c(Br)nn(C)c2C)s1 2233023587 YZKYAFKGHHCZJS-LLVKDONJSA-N 487.055 5.336 50 10 JKGE Brc1ccc(CN2CC[C@H]3[C@H](CCC[C@H]3Br)C2)c(Br)c1 2233856339 XOYOQHLGLYDGKT-BYCMXARLSA-N 466.055 5.597 50 10 JKGE Cc1cc(Br)c([C@@H](Br)[C@]2(C)CCCC2(F)F)c(C)c1Br 2235602087 CHJYNYYOAFBLIX-KGLIPLIRSA-N 475.009 7.090 50 10 JKGE Cc1cc(Br)c([C@H](Br)[C@@H]2C[C@H]3C[C@H]2[C@H]2C[C@@H]23)c(C)c1Br 2235605640 KTPCRQKSXQMDJV-KABUYRKWSA-N 463.051 6.557 50 10 JKGE Cc1cc(Br)c([C@@H](Cl)Cc2cccc(Br)c2)c(C)c1Br 2235606618 WPZYQYAKWJZNPD-AWEZNQCLSA-N 481.453 7.114 50 10 JKGE Cc1cc(Br)c([C@@H](Br)C[C@H]2CC(C)(C)CO2)c(C)c1Br 2235614745 LBOZXGMBDXOQBL-AAEUAGOBSA-N 469.055 6.470 50 10 JKGE O=C(c1csc(Br)c1Br)N1C[C@@H](Br)CC12CCCCC2 2241027073 QVCJSRNHRRGTOC-VIFPVBQESA-N 486.067 5.585 50 10 JKGE C[C@H](CCBr)N(Cc1ccccc1)c1nc2ccc(Br)cc2s1 2246318392 IOSZSDVBUJJQEH-CYBMUJFWSA-N 454.231 6.239 50 10 JKGE BrCC1(N(Cc2ccccc2)c2ccnc3ccc(Br)cc23)CCC1 2257467304 UFEVHOKEMVJMLE-UHFFFAOYSA-N 460.213 6.322 50 10 JKGE COc1cc(C[C@H](Br)c2ccccc2Br)sc1Br 2263739124 FJAXJKIURXZDBX-NSHDSACASA-N 455.009 5.960 50 10 JKGE Fc1ccc([C@@H](Br)Cc2cc(Br)cc(Br)c2)cc1F 2277887217 ZCFNBYCVMKMMOF-LBPRGKRZSA-N 454.934 6.169 50 10 JKGE FC(F)[C@@H]1CCC[C@@H]1[C@@H](Br)Cc1cc(Br)cc(Br)c1 2277954747 GGDQYSISVKSUNO-XQQFMLRXSA-N 460.982 6.199 50 10 JKGE CC[C@H]1CC[C@H]([C@H](Br)Cc2cc(Br)cc(Br)c2)CC1 2277963179 QPEIZRSPRQLCAZ-AXAPSJFSSA-N 453.056 6.734 50 10 JKGE Brc1cccc(Br)c1CN1C[C@H](Br)C[C@@H]2CCCC[C@@H]21 2279527989 FIKCTXHCBFNMJE-OZVIIMIRSA-N 466.055 5.740 50 10 JKGE CCCCCCCCC[C@@H](Br)c1ccc(OC)c(I)c1 2285009926 NETDBUYYBJHRDR-OAHLLOKOSA-N 453.202 6.877 50 10 JKGE Cc1ccc(OCCOc2ccc(Br)cc2C=C(C#N)C(=O)NCc2ccco2)cc1C 2293394486 IPIZVTNYQOVKIJ-UHFFFAOYSA-N 495.373 5.340 50 10 JKGE N#CC(=Cc1ccc(-c2c(Cl)cccc2Cl)o1)c1nc(-c2cc3ccccc3oc2=O)cs1 2297369427 VZWBCVLGJHTMDD-UHFFFAOYSA-N 491.355 7.547 50 10 JKGE CCOc1ccc(-c2nn(-c3ccccc3)cc2C=C(C#N)c2nc3ccccc3n2C)c(C)c1 2297453718 PRCIKZQFJQCDBW-UHFFFAOYSA-N 459.553 6.197 50 10 JKGE CCc1nc([C@@H](Cl)c2sc(Cl)cc2I)c(Br)s1 2300954797 CDKRXMKFZRXYJY-SSDOTTSWSA-N 483.021 6.116 50 10 JKGE Brc1ccc(OCc2ccccc2)c([C@H](Br)[C@@H]2C[C@H]3C[C@H]2[C@H]2C[C@H]23)c1 2314500982 SKGQJTPJDCCICY-JMYIUXCVSA-N 462.225 6.756 50 10 JKGE CCc1ccc(C[C@H]2SC(=C(C#N)C(=O)Nc3ccc(C)cc3)N(c3ccc(C)c(C)c3)C2=O)cc1 2314591690 BJFMFRJJUOJYQW-HHHXNRCGSA-N 495.648 6.239 50 10 JKGE Cc1ccc(N2C(=O)[C@@H](Cc3ccccc3F)SC2=C(C#N)C(=O)Nc2ccccc2C)cc1C 2314591825 FQVDGTNKCINPFB-RUZDIDTESA-N 485.584 5.816 50 10 JKGE CCOc1cc(C=C2C(=O)N(Cc3ccccc3)C(=O)C(C#N)=C2C)ccc1OCc1ccccc1F 2314618414 NEDQHPPCHAXOSC-UHFFFAOYSA-N 496.538 5.596 50 10 JKGE CCC1(CC)[C@@H](Br)C[C@@H]1Oc1cc(Br)cc(I)c1 2316851100 JXRDKNDXGDXXMO-STQMWFEESA-N 488.001 5.775 50 10 JKGE CC[C@]1(C)[C@H](Br)C[C@H]1OCc1cc(I)ccc1Br 2319213260 KSJLFVLXBSNDLB-MGPQQGTHSA-N 488.001 5.522 50 10 JKGE N#CC(=Cc1cccc(OC(=O)CCCN2C(=O)c3ccccc3C2=O)c1)c1ccc(Cl)cc1 2320511412 UCKITIFCFMGQQQ-UHFFFAOYSA-N 470.912 5.386 50 10 JKGE CC(C)CCN(CCBr)Cc1ccc(I)c(Br)c1 2325217359 DHOZGBFKORIJPT-UHFFFAOYSA-N 489.033 5.297 50 10 JKGE CCCC[C@@H](NC(=O)C=C(c1ccc(C)c(C)c1)C1CC1)C(=O)Nc1ccc(SC#N)cc1 2329599736 QCFJLIIYYWIXBB-RUZDIDTESA-N 461.631 5.984 50 10 JKGE COc1cccc(C=C(C#N)n2cnc3ccccc32)c1OCc1ccc(Cl)c(Cl)c1 2331032872 SMVXDGQFAKEVQR-UHFFFAOYSA-N 450.325 6.452 50 10 JKGE Cc1c([N+](=O)[O-])cc(C(O)=C(C#N)c2nc(-c3ccc4c(c3)CCCC4)cs2)cc1[N+](=O)[O-] 2331241528 USKKKBVNDHZLSP-UHFFFAOYSA-N 462.487 5.764 50 10 JKGE COc1ccc(-c2csc(C(C#N)=C(O)c3ccc(N(C)C)c([N+](=O)[O-])c3)n2)c(C)c1C 2331362654 CDOJVZKUWAXZMC-UHFFFAOYSA-N 450.520 5.360 50 10 JKGE CC[C@@H](C)[C@H](C(O)=C(C#N)c1nc(-c2c(C)cc(C)cc2C)cs1)N1C(=O)c2ccccc2C1=O 2331394483 MAGLMDXQMNZBKT-VOIUYBSRSA-N 485.609 6.239 50 10 JKGE Cc1ccc(C(C)(C)C)cc1-c1csc(C(C#N)=C(O)c2ccc(N3CCCC3)c([N+](=O)[O-])c2)n1 2331396974 TYHZPMAJQKWZDW-UHFFFAOYSA-N 488.613 6.874 50 10 JKGE COc1ccc(-c2csc(C(C#N)=C(O)CCCOc3ccc(C(C)(C)C)cc3)n2)cc1Cl 2331398399 PSCSAEBTSUKDCW-UHFFFAOYSA-N 483.033 7.421 50 10 JKGE Fc1c(Br)cc(Cl)c([C@@H](Br)[C@@]23CCC[C@@H]2CC3)c1Br 2337088589 NOGRMZVEWBMEHN-HGDANNRKSA-N 475.421 7.020 50 10 JKGE Cc1c([C@H](Cl)c2sc(Br)c(C)c2Br)ccc(Cl)c1Cl 2339130446 CCNVEZDBHGTATH-NSHDSACASA-N 463.449 7.525 50 10 JKGE COc1c(Br)cc(C)c([C@@H](Br)[C@H]2CC[C@@H]3C[C@H]23)c1Br 2339675389 QRUSMTJMMYECHQ-QYTUQVAYSA-N 453.012 6.011 50 10 JKGE CC(C)[C@H](Br)C(C)(C)CNC(=O)c1cc(Br)sc1Br 2340322177 SBWWVDMBDPATHL-JTQLQIEISA-N 476.072 5.449 50 10 JKGE Cc1scc(CN(C)c2cccc(Br)c2CBr)c1Br 2343704597 QSWGOAWWBRJURA-UHFFFAOYSA-N 468.052 6.113 50 10 JKGE C[C@@H](C[C@H]1CCOC1)Oc1c(Br)cc(CBr)cc1Br 2353222484 NDQWZWLNFSNOKD-VHSXEESVSA-N 457.000 5.300 50 10 JKGE C[C@@H](Cl)c1nc2cnc3cccnc3c2n1CCCN(Cc1ccccc1)Cc1ccccc1 2362056597 WCNLTULTVCVWDG-OAQYLSRUSA-N 470.020 6.372 50 10 JKGE O=S1(=O)CCCC[C@@H]1[C@H](Cl)c1c(Cl)cc(Br)c(F)c1Br 2362223464 HYAIPOKSUOUDGV-KCJUWKMLSA-N 468.997 5.251 50 10 JKGE Fc1c(Br)cc(Cl)c([C@H](Br)CC[C@@H]2CCCCO2)c1Br 2362253784 JZTGUHUNBAINOZ-DTWKUNHWSA-N 493.436 6.789 50 10 JKGE COc1ccc(C[C@H](Br)c2c(C)sc(Br)c2C)c(Br)c1 2364193100 QVEKEIKPVTUJGZ-ZDUSSCGKSA-N 483.063 6.577 50 10 JKGE CCc1ccsc1[C@@H](Br)c1c(C)cc(Br)c(OC)c1Br 2365229850 DUUXDNLRFPUAOO-ZDUSSCGKSA-N 483.063 6.637 50 10 JKGE FC(F)(F)[C@@]1(CBr)CCN(Cc2ccc(Cl)cc2I)C1 2366698599 FQZAJRFXWHQCGA-GFCCVEGCSA-N 482.509 5.094 50 10 JKGE Cc1ccc(CCl)c(OCc2ccc(I)c(Cl)c2)c1Br 2381127274 GFFKVNMKOBGEAI-UHFFFAOYSA-N 485.974 6.333 50 10 JKGE N#C/C(C(=O)NCc1ccco1)=C1\S[C@H](Cc2ccc(Cl)c(Cl)c2)C(=O)N1c1ccccc1 11666550 BJXIWIZOIBIGIK-DABWLCNRSA-N 498.391 5.329 50 10 JKGE Cc1ccccc1C(=O)Nc1ccc(C(=O)NNC(=O)[C@@H](C)Oc2ccc(-c3ccccc3)cc2)cc1 14038664 LMSCHCWVLDMKCW-OAQYLSRUSA-N 493.563 5.143 50 10 JKGE Cc1ccc(CS/C(Nc2cccc(Cl)c2C)=C(\C#N)S(=O)(=O)c2ccccc2)c(C)c1 20325480 JPXBWEHMDWEBAU-OCOZRVBESA-N 483.058 6.777 50 10 JKGE COc1cc(/C=C(/C#N)C(=O)Nc2ccc(C)cc2C)ccc1OCc1ccc(C(=O)O)cc1 33304604 WOZYBUKHXOPTNY-XKZIYDEJSA-N 456.498 5.135 50 10 JKGE C=CCOc1c(I)cc(/C=C(/C#N)c2ccc(Cl)cc2)cc1OC 33387921 RZYJLOAJTCCYPU-DHDCSXOGSA-N 451.691 5.582 50 10 JKGE CCN(CC)CCOC(=O)c1ccc(N/C=C(\C#N)c2nc(-c3cccc([N+](=O)[O-])c3)cs2)cc1 33511603 GSNSZNCQKWAQEO-CAPFRKAQSA-N 491.573 5.193 50 10 JKGE Cc1ccc(N2C(=O)[C@@H](Cc3ccccc3C)S/C2=C(/C#N)C(=O)Nc2ccc(F)cc2)cc1 33803395 INLUVTYIVDHHOL-NLTRVXJZSA-N 471.557 5.508 50 10 JKGE CCOC(=O)c1c(-c2ccc(C)cc2)csc1NC(=O)/C(C#N)=C\c1ccc(Cl)cc1 33931318 HBZXSRGCMHEAGO-PDGQHHTCSA-N 450.947 6.099 50 10 JKGE Cc1cccc(NC(=O)Cn2cc(/C=C(/C#N)c3nc(O)c4ccccc4n3)c(-c3ccccc3)n2)c1 34988205 ZCFALBZSYDRDNS-QNGOZBTKSA-N 486.535 5.210 50 10 JKGE CCCCOc1ccccc1C(=O)Oc1ccc2c(c1)OC(N)=C(C#N)[C@@H]2c1ccc(OCCC)cc1 38650725 DLGARGGQSLQEAJ-MUUNZHRXSA-N 498.579 6.092 50 10 JKGE CCCCCOc1ccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4ccco4)ccc32)cc1OC 38660277 KHWWWMRNKNWJRD-RUZDIDTESA-N 474.513 5.295 50 10 JKGE CCCCOc1cccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)COc4c(C)cccc4C)ccc32)c1 38685153 HRJZYJNOMMZOJE-NDEPHWFRSA-N 498.579 5.685 50 10 JKGE CCCCCOc1ccccc1[C@H]1C(C#N)=C(N)Oc2cc(OC(=O)c3cccc(OC)c3)ccc21 38686011 AFUAYRKYHSZMJY-HHHXNRCGSA-N 484.552 5.702 50 10 JKGE CC[C@H](C)NC(=O)c1oc2c(c1C)/C(=N/NC(=O)C(c1ccccc1)c1ccccc1)CCC2 40815402 CBAALMFDWZOVBU-HSPZSSDGSA-N 457.574 5.105 50 10 JKGE O=C(CSc1nnc(-c2ccccc2)s1)N/N=C/c1cn(Cc2ccccc2)c2ccccc12 40947870 UAGPJJHNKAHELQ-JFLMPSFJSA-N 483.622 5.451 50 10 JKGE CCc1cc(Br)ccc1-c1ccc(/C=C(\C#N)C(=O)Nc2ccccc2OC)o1 58833273 FIKLMNNCEVDLPT-DTQAZKPQSA-N 451.320 5.826 50 10 JKGE CCOc1ccc(NC(=O)/C(C#N)=C\c2cc(Cl)ccc2OCc2cccc(F)c2)cc1 59281695 UVDXRZSUMVFROM-UYRXBGFRSA-N 450.897 6.002 50 10 JKGE Fc1cc(Br)ccc1C[C@H](CBr)Cc1ccccc1Br 97186007 TZIMICXDEFACFR-LLVKDONJSA-N 464.998 6.147 50 10 JKGE CCc1ccc(N2C(=O)[C@@H](Cc3cccc(C)c3)S/C2=C(/C#N)C(=O)NCc2ccccc2)cc1 101240799 JBFHZCYMAVJWCI-SJCFVWOQSA-N 481.621 5.300 50 10 JKGE CCOc1ccc(N2C(=O)[C@@H](Cc3ccccc3C)S/C2=C(/C#N)C(=O)Nc2ccc(C)cc2)cc1 101246200 CJRWPPGPUFZQFR-SJCFVWOQSA-N 497.620 5.767 50 10 JKGE COC(=O)c1c(N/C=C(\C#N)c2nc(-c3ccc(OC)cc3)cs2)sc(C(C)=O)c1C 102571706 VCIYFIMPQZUETL-XNTDXEJSSA-N 453.545 5.154 50 10 JKGE CC[C@H](c1ccccc1)[C@@H](Br)c1cc(Br)sc1Br 104034750 IOUJEFPPFROINH-ZWNOBZJWSA-N 453.037 6.903 50 10 JKGE CC[C@H](C)[C@H](c1ccccc1)[C@H](Br)c1cc(Br)sc1Br 109869894 GNVAUDFLRIMIRY-COLVAYQJSA-N 481.091 7.539 50 10 JKGE O=C1NCCc2ccc([C@@H](Br)c3cc(Br)c(Br)s3)cc21 128567763 ZEJMMWVOTVKUTC-GFCCVEGCSA-N 480.019 5.043 50 10 JKGE COc1cc(Cl)c([C@H](Br)c2csc(I)c2)cc1Cl 166992430 NTDKYXNATVFDCM-GFCCVEGCSA-N 477.976 6.152 50 10 JKGE CCCOc1ccccc1[C@@H]1C(C#N)=C(N)Oc2cc(OC(=O)/C=C\c3ccc(OC)cc3)ccc21 205654695 WYKRRWPWPJLQFG-HBZAZXRSSA-N 482.536 5.321 50 10 JKGE CCCCCN1C(=O)C(C#N)=C(C)/C(=C/c2ccc(OCc3ccc(F)cc3)c(OC)c2)C1=O 214238608 ZLWZWLRJIDXFEZ-HMAPJEAMSA-N 462.521 5.196 50 10 JKGE CCCCCCN1C(=O)C(C#N)=C(C)/C(=C/c2ccc(OCc3ccc(F)cc3)c(OC)c2)C1=O 214247045 DGODVQAANOSPTN-HAHDFKILSA-N 476.548 5.586 50 10 JKGE COc1ccc(-c2nn(-c3ccccc3)cc2/C=C2\C(=O)N(C3CCCC3)C(=O)C(C#N)=C2C)c(C)c1 214358663 ARXFCKLGGOIZEV-QQXSKIMKSA-N 492.579 5.391 50 10 JKGE COc1cc(/C=C2\C(=O)N(Cc3ccc(C)cc3)C(=O)C(C#N)=C2C)ccc1OCc1ccc(F)cc1 214383506 YKSAMWQNYKXSRG-QFEZKATASA-N 496.538 5.514 50 10 JKGE Cc1ccc(F)c([C@@H](Br)c2cc(Br)ccc2Br)c1F 214828968 SERPUGMLXUWURJ-ZDUSSCGKSA-N 454.934 6.283 50 10 JKGE Cc1ccc2nc(-c3ccc(N/C=C(/C#N)C(=O)Nc4cccc(Cl)c4Cl)cc3)sc2c1 217128909 INYBKHTUCWWSHZ-SSZFMOIBSA-N 479.392 7.037 50 10 JKGE Brc1ccc(I)cc1[C@@H](Br)Cc1ccsc1 232476599 JUDSTOJUSJPZQL-LBPRGKRZSA-N 471.983 5.794 50 10 JKGE COc1cc(C)c(Br)cc1[C@@H](Br)c1ccc(Cl)c(Br)c1 234796335 NGACKTJGASMOPA-HNNXBMFYSA-N 483.425 6.666 50 10 JKGE CCCCc1ccc(OCC(=O)NN=Cc2ccc(OC)c(CSc3ccccn3)c2)cc1 252597050 COKKPYAUTYMSCQ-UHFFFAOYSA-N 463.603 5.254 50 10 JKGE CCCCCCCCCCCCCCCCCC(=O)NN=C[C@](C=C=C(C)C)(CC)CCCC 254492222 GPSJXJPDOXTYTG-WJOKGBTCSA-N 474.818 10.058 50 10 JKGE O=C(Oc1ccc2ccccc2c1C=NNC(=O)c1cc2ccccc2cc1O)c1ccccc1 254792511 WNRQVXQHENYSAD-UHFFFAOYSA-N 460.489 5.682 50 10 JKGE CCCCCC(=NNC(=O)CCC(=O)NN=C(CCCCC)c1ccccc1)c1ccccc1 257353596 SAGBTHYYSACCPK-UHFFFAOYSA-N 462.638 5.968 50 10 JKGE 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 257683071 YLQIANWVVVMWMO-ZZCSDCMDSA-N 482.661 6.123 50 10 JKGE biogenic BrCc1cc(I)c2sccc2c1I 306669156 ASKYEWKBZDUNML-UHFFFAOYSA-N 478.918 5.005 50 10 JKGE O=C(N[C@H]1c2ccccc2C[C@H]1Br)c1cc(Br)sc1Br 312185494 CSRULWODNUXVKZ-PWSUYJOCSA-N 480.019 5.064 50 10 JKGE C[C@@H](Cl)c1nc2cc(I)ccc2n1CCCOCCOCc1ccccc1 390633876 LMKIDTCNCPWOQS-MRXNPFEDSA-N 498.792 5.564 50 10 JKGE Fc1cc(Br)c([C@@H](Cl)c2ccc(I)c(Cl)c2)c(F)c1F 398495456 ZSKHKICKWPIFLU-NSHDSACASA-N 495.891 6.453 50 10 JKGE N#CC1(COc2c(Br)cc(Br)cc2CBr)CCCC1 405136922 BQVURJHLYLHWHB-UHFFFAOYSA-N 451.984 5.569 50 10 JKGE Cc1cccc(N2CCN(C(=O)Nc3ccc(C(=O)Nc4ccc(SC#N)cc4)cc3)CC2)c1 586658254 YZQKKISAJLVDHH-UHFFFAOYSA-N 471.586 5.175 50 10 JKGE COCc1cc(Br)c([C@@H](Br)c2ccc(OC)c(Br)c2)s1 688060858 MCOBWBHVIYIVMO-ZDUSSCGKSA-N 485.035 5.912 50 10 JKGE C[C@@H](Br)[C@@H]1CCCCN1C(=O)c1cc(Br)c(Br)s1 688853178 UBDZZZPUSYCMLN-APPZFPTMSA-N 460.029 5.051 50 10 JKGE Brc1cc2c(c([C@H](Br)c3ncsc3Br)c1)OCC2 698641650 PRRKMPNRTJIREW-VIFPVBQESA-N 453.981 5.087 50 10 JKGE Fc1cccc(C(CBr)(CBr)Cc2ccncc2Br)c1 702864866 LFJDMVDRYOUHDE-UHFFFAOYSA-N 465.986 5.254 50 10 JKGE Cc1ccc2nc([C@@H](C)Cl)n(CC3(N(Cc4ccccc4)Cc4ccccc4)COC3)c2n1 705868931 FVNWQDJLVRJCPD-OAQYLSRUSA-N 461.009 5.511 50 10 JKGE CCOC(=O)c1ccc(-c2ccc(C=NNC(=O)CSCc3cccc(Cl)c3)o2)cc1 725395689 FHUGIPIFSONULB-UHFFFAOYSA-N 456.951 5.160 50 10 JKGE Cc1cc(C)cc(-n2c(C)cc(C=NNC(=O)CSCc3ccc([N+](=O)[O-])cc3)c2C)c1 1083957078 SCGWOXZTKWOFGM-UHFFFAOYSA-N 450.564 5.003 50 10 JKGE COc1ccc(-c2nn(-c3ccc(Br)cc3)c3c2[C@H](c2ccccc2)C(C#N)=C(N)O3)cc1 1865680581 OXBQHHLKCWEEDR-JOCHJYFZSA-N 499.368 5.529 50 10 JKGE N#CC1=C(N)Oc2c(c(-c3ccccc3)nn2-c2ccc(Cl)cc2)[C@H]1c1ccc(Cl)cc1Cl 1865685809 NHUFDXXWSSNTNL-NRFANRHFSA-N 493.781 6.718 50 10 JKGE CCc1nn(-c2ccc(Cl)c(Cl)c2)c2c1[C@H](c1ccc(Cl)cc1Cl)C(C#N)=C(N)O2 1865685964 OVFMHNOPFPJJAX-GOSISDBHSA-N 480.182 6.266 50 10 JKGE COc1ccc(-n2nc(C(F)(F)F)c3c2OC(N)=C(C#N)[C@H]3c2ccc(Cl)c(Cl)c2)cc1 1865685983 PQVUKXLEOMHXEV-MRXNPFEDSA-N 481.261 5.425 50 10 JKGE CCCCCCOc1ccc([C@H]2C(C#N)=C(N)Oc3c2c(C)nn3-c2ccc(C)cc2)cc1OC 1865695516 DLSDTSNHTHEHFP-SANMLTNESA-N 472.589 5.675 50 10 JKGE N#CC1=C(N)Oc2c(c(-c3ccccc3)nn2-c2ccccc2Cl)[C@H]1c1cccc([N+](=O)[O-])c1 1865705724 DDGZXPZDGJUEEV-NRFANRHFSA-N 469.888 5.319 50 10 JKGE COc1ccc(-c2nn(Cc3ccc(F)cc3)c3c2[C@@H](c2ccc(F)cc2)C(C#N)=C(N)O3)cc1 1865708001 LPIAXPPKZDMEER-QHCPKHFHSA-N 470.479 5.103 50 10 JKGE COc1cccc2c3c([nH]c12)CCN(c1cc(Nc2ccc(SC#N)cc2)nc(C(C)(C)C)n1)C3 1868342288 QGAPDSICSBXOIZ-UHFFFAOYSA-N 484.629 6.143 50 10 JKGE CCCOc1ccc(-c2csc(/C(C#N)=C(\O)[C@H]3CC(=O)N([C@@H](C)c4ccccc4)C3)n2)cc1 1872749263 IWTQISBZRQEETD-SQOKTJSVSA-N 473.598 6.001 50 10 JKGE COC(=O)c1ccccc1N1C[C@@H](/C(O)=C(\C#N)c2nc(-c3cccc4ccccc34)cs2)CC1=O 1872751754 DVNBGDOLDTZAIE-ZZNYDNHMSA-N 495.560 5.596 50 10 JKGE CCc1ccc(OCCC/C(O)=C(\C#N)c2nc(-c3ccc(OC)cc3OC)cs2)cc1 1872755153 AOZMIHNQJLBJLR-LNVKXUELSA-N 450.560 6.042 50 10 JKGE COc1ccc(-c2csc(/C(C#N)=C/c3ccc(OCc4ccccc4)c(OC)c3)n2)cc1F 1872792355 UHBWZXJVOQPYDL-CIAFOILYSA-N 472.541 6.610 50 10 JKGE Clc1sccc1[C@H](Br)c1ccc(OCc2ccccc2)cc1Br 1899853724 WMKZJPCYFFNSEX-QGZVFWFLSA-N 472.629 7.227 50 10 JKGE BrCc1cc(Br)ccc1N1C[C@@H]2CCN(Cc3ccccc3)[C@@H]2C1 1909106654 BKLGVJDAHOBBTI-OXJNMPFZSA-N 450.218 5.055 50 10 JKGE CN(C[C@@H](Br)COCc1ccccc1)C(=O)c1ccc(OCc2ccccc2)cc1 1916355477 VCOOEVBABXCUPC-HSZRJFAPSA-N 468.391 5.318 50 10 JKGE Cc1cc([C@H](Br)c2csc3c(Br)cccc23)oc1Br 1917606285 OAIMNBYJBGNZPB-GFCCVEGCSA-N 465.004 6.812 50 10 JKGE Cc1ccc(F)cc1[C@@H](Br)c1c(Br)sc(Br)c1Cl 1923037933 HAFYWVDQHDYPIU-SECBINFHSA-N 477.418 6.858 50 10 JKGE Clc1c(Br)sc(Br)c1[C@H](Br)C[C@H]1C[C@H]1C1CC1 1923063533 ZTLRSIYHHVLULX-GJMOJQLCSA-N 463.460 6.799 50 10 JKGE Clc1c(Br)sc(Br)c1[C@H](Br)CC1CCCCC1 1923071334 IHNDNQMFXUMPMZ-MRVPVSSYSA-N 465.476 7.333 50 10 JKGE Cl[C@H](c1c(Br)sc(Br)c1Br)[C@@H]1[C@@H]2CCOC[C@H]21 1924572314 YDWXYZHGGUONHZ-JEMLMZEFSA-N 465.432 5.598 50 10 JKGE Fc1cc(Br)cc([C@H](Cl)c2c(Cl)sc(Br)c2Cl)c1 1925590678 ZBFNONOPEYTCRB-QMMMGPOBSA-N 453.385 7.047 50 10 JKGE Brc1sc(Br)c([C@H](Br)[C@]23CC[C@@H]2C3)c1Br 1935461452 CKPWBIMOBGDRJW-GXEGGYKASA-N 479.857 6.272 50 10 JKGE BrCc1cc(Br)c(OCC2(Br)CC2)c(Br)c1 1980117828 ORJVZSLSURHKDJ-UHFFFAOYSA-N 477.816 5.413 50 10 JKGE Clc1sc([C@@H](Br)Cc2ncccc2Br)cc1Br 2004901862 DXHGVQHNNBXVEF-ZETCQYMHSA-N 460.416 6.000 50 10 JKGE Clc1ccc([C@H](CI)OCCOCCOCc2ccccc2)cc1 2007814377 OUANTIRKCJWWBG-IBGZPJMESA-N 460.739 5.066 50 10 JKGE COc1sc([C@H](Br)Cc2ccccc2Br)cc1Br 2034631656 HBCAKKASBBJLCR-SNVBAGLBSA-N 455.009 5.960 50 10 JKGE Cc1ccc(C)c(C=C(C#N)S(=O)(=O)c2cc(Br)ccc2Br)c1 2040461167 BVRXCRQNVLIHBI-UHFFFAOYSA-N 455.171 5.167 50 10 JKGE Brc1cc(Br)c([C@H](Br)[C@@H]2CCn3nccc3C2)s1 2046632019 ZBZCIOGHZWORMW-RDDDGLTNSA-N 455.013 5.168 50 10 JKGE CC(C)(C)OC(=O)NCCSSCCN[C@@H]1CC[C@@H]2CCCN(C(=O)OC(C)(C)C)[C@H]2C1 2061264802 UCHCKZKEWINXSE-OTWHNJEPSA-N 489.748 5.050 50 10 JKGE COc1cc(C)c([C@H](Br)c2ncsc2Br)cc1Br 2078009594 LLNIWGVHPWUBRY-JTQLQIEISA-N 455.997 5.469 50 10 JKGE CC(C)Oc1ccc(-n2nc(CBr)c(I)c2C(F)(F)F)cc1 2079260610 IYBRLFDZSOPSEU-UHFFFAOYSA-N 489.073 5.178 50 10 JKGE CC(C)Cc1ccc([C@@H](Cl)c2cc(I)ccc2Br)s1 2087337775 GIMYJWXRZAGEKG-HNNXBMFYSA-N 469.613 6.642 50 10 JKGE Brc1cnsc1[C@@H](Br)c1ccc(Br)c2ccccc12 2088927195 JAVPYXAYVVJURT-ZDUSSCGKSA-N 462.004 6.306 50 10 JKGE C[C@H]1CCC[C@@H]1CC(CBr)(CBr)c1cccc(Br)c1 2093455484 WHWVMUHFNLEQSN-QWHCGFSZSA-N 453.056 6.303 50 10 JKGE C[C@@H](CBr)[C@H]1CCCCN1Cc1c(Br)cccc1Br 2094088181 IHEICNKQWIRGFZ-XHDPSFHLSA-N 454.044 5.597 50 10 JKGE COc1ccc([C@H](Br)c2c(Br)cccc2Br)c(F)c1 2094091829 YMRKIQGIRXJOLA-AWEZNQCLSA-N 452.943 5.844 50 10 JKGE Fc1cccc(F)c1C[C@H](Br)c1c(Br)cccc1Br 2094099018 JKJWEQKUNSLVPY-NSHDSACASA-N 454.934 6.169 50 10 JKGE Cc1ccc([C@@H](Br)c2cc(C3CC3)c(Br)s2)c(Br)c1 2094674447 VZSLJOGQGGBWKQ-CQSZACIVSA-N 465.048 6.943 50 10 JKGE Cc1csc([C@H](Cl)c2scc(C(F)(F)F)c2Br)c1Br 2100814324 HBMINXRCMPZLDU-QMMMGPOBSA-N 454.558 6.990 50 10 JKGE Clc1ccc(I)c(CN2[C@H](CBr)C[C@H]3CCC[C@H]32)c1 2108400424 WPMBTRUYIQMNMB-RIEGTJTDSA-N 454.577 5.083 50 10 JKGE Brc1csc([C@H](Br)c2cc3c(cc2Br)OCCO3)c1 2115928050 YZDUCTRUDIMESM-CYBMUJFWSA-N 468.992 5.529 50 10 JKGE CCOc1ccc([C@@H](Br)c2cc(Br)c(Cl)s2)c(Br)c1 2115942018 HBHFRRNFMZLPGT-GFCCVEGCSA-N 489.454 6.810 50 10 JKGE BrCc1cc(Br)c(OCC[C@@]23CCC[C@@H]2C3)c(Br)c1 2125598326 NGFWBCKKJNYHID-IAQYHMDHSA-N 453.012 6.066 50 10 JKGE Cc1c(Br)ccc([C@H](Br)c2ccc(Cl)c(Cl)c2)c1Br 2138852046 MHUSVPYEFKJBMT-CQSZACIVSA-N 487.844 7.311 50 10 JKGE Cc1cc(F)c(F)cc1[C@H](Br)c1cc(Br)ccc1Br 2139643832 SRSWVGBWGQJHSI-AWEZNQCLSA-N 454.934 6.283 50 10 JKGE O=C(N[C@@H]1CCCC[C@H]1CCBr)c1cccc(Br)c1Br 2148749069 BAFDXQLDWSDSAF-GXFFZTMASA-N 468.027 5.285 50 10 JKGE CS(=O)(=O)c1sccc1[C@@H](Br)c1cc(Cl)c(Br)cc1F 2150547805 ZSPSIYWMAIAHKG-LLVKDONJSA-N 462.587 5.191 50 10 JKGE CC12CC([C@@H](Br)c3c(Cl)sc(Br)c3Cl)(C1)C1(CCC1)O2 2157464997 KKRRLQJUVQSGDT-ALXWSUNGSA-N 461.046 6.745 50 10 JKGE ClCCc1nc2cc(Br)c(Cl)cc2n1-c1cscc1Br 2160061852 VWOANHXMJCTEOY-UHFFFAOYSA-N 455.002 6.047 50 10 JKGE Cn1cc(CC(CBr)(CBr)c2ccccc2Br)c(Cl)n1 2168231168 HNFNSUIMSBZCAK-UHFFFAOYSA-N 485.445 5.106 50 10 JKGE C[C@H](Cl)c1nc2cc(Cl)c(Br)cc2n1[C@@H]1CCCN(Cc2ccccc2)C1 2168999710 WRGYOFAHJFENLM-GOEBONIOSA-N 467.238 6.589 50 10 JKGE COc1cc(Br)c(C(=O)N(Cc2ccccc2)[C@H](CCl)C2CC2)cc1OC 2189043984 OBDSTOZOTPTJQT-GOSISDBHSA-N 452.776 5.126 50 10 JKGE Cc1ccccc1C[C@@H](Br)c1c(C)c(Br)cc(C)c1Br 2201072087 IABAITOZHQFWIY-OAHLLOKOSA-N 461.035 6.816 50 10 JKGE COc1cc(Br)c([C@H](Br)c2sccc2Br)cc1C 2220439272 SOADMIWYCZQJLR-LBPRGKRZSA-N 455.009 6.074 50 10 JKGE C[C@@H]1OCC[C@@H]1C[C@H](Br)c1c(Br)cc(Cl)c(Cl)c1Cl 2224309804 CVRSIXWSZTZVFH-RNJXMRFFSA-N 451.413 6.660 50 10 JKGE Cc1c(F)ccc([C@@H](Br)c2cccc(Br)c2Br)c1F 2231076639 QDDOMUQPWAOKFR-LBPRGKRZSA-N 454.934 6.283 50 10 JKGE Cc1ccc([C@@H](Br)c2c(Br)sc(Br)c2Cl)c(F)c1F 2231140581 OSLBLERBBADKHK-SSDOTTSWSA-N 495.408 6.997 50 10 JKGE Clc1cc(Cl)cc(C[C@H](Cl)c2cc(Br)ccc2I)c1 2232146133 LMUXQFLCBQHVAW-ZDUSSCGKSA-N 490.393 6.883 50 10 JKGE FC1(F)CC[C@@H]2[C@H]([C@@H](Br)c3c(Br)cc(Cl)c(Cl)c3Cl)[C@H]21 2232510268 GXLILTKYBWXKPB-MVJCHYFLSA-N 469.378 7.137 50 10 JKGE Clc1ccc([C@H](Br)c2c(Br)cc(Cl)c(Cl)c2Cl)c(Cl)c1 2232514898 XOAJIYGAFXMSKS-NSHDSACASA-N 498.256 8.200 50 10 JKGE Fc1cc(Br)c(Br)cc1[C@@H](Br)Cc1cccc(F)c1F 2233975772 LPGRQWGWUQGCGM-VIFPVBQESA-N 472.924 6.308 50 10 JKGE CCOCc1cc(Br)c([C@@H](Cl)c2sc(C)c(C)c2Br)s1 2237634143 UNWYEDCBRYVZEQ-GFCCVEGCSA-N 458.668 6.816 50 10 JKGE Fc1ccc([C@@H](Br)c2scc(Br)c2Cl)c(F)c1Br 2253600224 NXALAHPHGWYDKW-SSDOTTSWSA-N 481.381 6.689 50 10 JKGE Fc1cc(Br)c(F)c(Br)c1[C@@H](Cl)c1ccc(Br)o1 2260006518 TTWQAZNUJOFKLA-JTQLQIEISA-N 465.313 6.174 50 10 JKGE Cn1c([C@@H](Br)c2c(F)cc(Br)c(F)c2Br)cnc1Cl 2272852122 DFVBOEHZDHHCFA-MRVPVSSYSA-N 479.344 5.361 50 10 JKGE Cc1cc(Br)c([C@H](Br)[C@@]23CCC[C@@H]2CC3)c(C)c1Br 2273374255 ZVZRWOUYYPAMMU-XFBWCDHKSA-N 451.040 6.845 50 10 JKGE COc1cc(Cl)c(Cl)cc1[C@H](Br)Cc1ccccc1I 2279049182 YSIFLLWKXAYCFW-LLVKDONJSA-N 485.974 6.285 50 10 JKGE CC1CC(CBr)(CN2CCN(C(=O)OC(C)(C)C)[C@@H](C)C[C@H]2C(F)(F)F)C1 2280060070 NDNIGSSNEGIOPH-DIODGJHASA-N 457.375 5.060 50 10 JKGE FC1(F)C[C@](CBr)(Cc2ccc(I)c(Cl)c2)C12CCC2 2280849543 QQCQOTOHWMSJPD-ZDUSSCGKSA-N 475.542 6.078 50 10 JKGE COc1ccc([C@H](Br)[C@H]2CC3(CCCC3)CO2)cc1I 2284998472 RIXWUOOLMQEDQI-CABCVRRESA-N 451.142 5.085 50 10 JKGE COc1ccc([C@H](Br)[C@@H]2[C@H]3CCCC(F)(F)[C@H]32)cc1I 2285004884 UWIGWGUUGUNVNV-JXJLXUTGSA-N 457.096 5.417 50 10 JKGE N#CC(=Cc1cn(Cc2cccc3ccccc23)c2ccccc12)C(=O)Nc1nc2ccccc2s1 2294593342 JVIVOXNHNCVCRC-UHFFFAOYSA-N 484.584 6.998 50 10 JKGE Cc1c(Br)ccc([C@@H](Br)c2ccc(C(F)(F)F)s2)c1Br 2295255851 FJERTKFCKHEOCL-GFCCVEGCSA-N 492.980 7.085 50 10 JKGE CC1(C)CCC[C@@H]([C@@H](Br)Cc2cc(Br)cc(Br)c2)CC1 2295335549 LTMAQSRACDJOLZ-CJNGLKHVSA-N 467.083 7.124 50 10 JKGE N#CC(=Cc1ccccc1OCc1cccc(C(F)(F)F)c1)C(=O)Nc1sccc1C#N 2295650066 QRZMTANXXQICGB-UHFFFAOYSA-N 453.445 5.763 50 10 JKGE ClCc1cc(Cl)c(OCc2ccc(I)c(Cl)c2)c(Cl)c1 2296302527 KHLUFUCQPOGYFZ-UHFFFAOYSA-N 461.941 6.569 50 10 JKGE Cc1ccc(N2C(=O)[C@@H](Cc3ccccc3)SC2=C(C#N)C(=O)Nc2ccc(F)cc2)cc1 2296634294 NQVYBMQDCWAUIF-HSZRJFAPSA-N 457.530 5.199 50 10 JKGE N#CC(=Cc1cc(Br)ccc1OCc1ccc([N+](=O)[O-])cc1)c1nc2ccccc2[nH]1 2297368190 XOKJNSKUYMLFSA-UHFFFAOYSA-N 475.302 5.877 50 10 JKGE N#CC(=CNc1cc(C(F)(F)F)cc(C(F)(F)F)c1)S(=O)(=O)c1ccccc1Cl 2297564413 QIOSIKFRRAOTCM-UHFFFAOYSA-N 454.779 5.628 50 10 JKGE C[C@@H]1CCO[C@@H]1C[C@H](Br)c1cc(Br)ccc1OCc1ccccc1 2299505240 VBVMJTKPBCJNRN-HEFCMCLBSA-N 454.202 6.279 50 10 JKGE CC[C@](C)(C(F)F)[C@H](Cl)c1c(Br)sc(Br)c1Br 2299825509 MRFRSBVEFHWOMK-LDWIPMOCSA-N 475.418 6.997 50 10 JKGE CCCCC[C@@H](Br)c1c(Cl)cc(Br)c(F)c1Br 2300171962 KDLKXLGDBLPYSE-SSDOTTSWSA-N 451.399 7.020 50 10 JKGE CCN(C[C@](C)(CI)O[C@@H]1CCCC[C@@H]2C[C@@H]21)C(=O)OC(C)(C)C 2302674137 YTOMMIJJTWSQLD-OLMMMNRUSA-N 451.389 5.032 50 10 JKGE CCc1cc([C@@H](Br)c2csc(C)c2Br)sc1Br 2303643330 CWXPZBWCDOMJJK-NSHDSACASA-N 459.066 6.690 50 10 JKGE N#CC(=Cc1ccc(-c2ccc(Br)c(Cl)c2)o1)C(=O)N1CCN(c2ccccc2)CC1 2313567078 FRUFXWYULPMVDI-UHFFFAOYSA-N 496.792 5.618 50 10 JKGE FC1(F)CCC([C@@H](Br)c2ccc(OCc3ccccc3)cc2Br)CC1 2314443074 FPBYPQUCQAGVGD-LJQANCHMSA-N 474.183 7.290 50 10 JKGE N#CC(=Cc1ccccc1OCC(=O)Nc1nccs1)c1nc(-c2ccc(F)cc2)cs1 2314489757 SNHGLOGOVNXSFO-UHFFFAOYSA-N 462.531 5.487 50 10 JKGE FC1(F)CCC[C@@H]1C[C@@H](Br)c1ccc(OCc2ccccc2)cc1Br 2314504130 ZSXMBUXFJILGFQ-CRAIPNDOSA-N 474.183 7.290 50 10 JKGE Cn1nc(Br)c(Br)c1[C@H](Br)c1ccc(Cl)c(Cl)c1 2316833350 ZKSXBNBGNBPVAK-MRVPVSSYSA-N 477.809 5.736 50 10 JKGE CCc1ccc([C@H](C)NC=C(C#N)C(=O)N2CCN(C(c3ccccc3)c3ccccc3)CC2)cc1 2324599306 SDFIERCLJRBSBU-DEOSSOPVSA-N 478.640 5.241 50 10 JKGE CCCCOC(=O)c1ccccc1NC(=O)C(C#N)=CN[C@@H](CC)c1ccc2c(c1)CCCC2 2325306937 PUMZNUUHWWOWDD-VWLOTQADSA-N 459.590 5.609 50 10 JKGE COc1c(Cl)ccc(Cl)c1C(O)=C(C#N)c1nc(-c2ccc3c(c2)CCCC3)cs1 2331240343 ZRSRITBDMLHFAN-UHFFFAOYSA-N 457.382 6.954 50 10 JKGE CCCCc1ccc(-c2csc(C(C#N)=C(O)CNC(=O)c3ccc(C(C)(C)C)cc3)n2)cc1 2331255988 NGUPOJDCGAZCPO-UHFFFAOYSA-N 473.642 6.673 50 10 JKGE COc1ccc(OC)c(C=CC(O)=C(C#N)c2nc(-c3cc(C(C)C)c(OC)cc3C)cs2)c1 2331356029 GUJVPYBKYLXZCO-UHFFFAOYSA-N 476.598 6.774 50 10 JKGE C=CCOc1ccccc1OCC(O)=C(C#N)c1nc(-c2cc(OCC)ccc2OCC)cs1 2331376623 ZXAZQSNEEKRLTA-UHFFFAOYSA-N 478.570 6.044 50 10 JKGE Brc1cc(OCc2ccccc2)ccc1[C@H](Br)[C@H]1OC[C@@H]2CCCC[C@H]12 2336084055 PSNUQTXPEXKEEB-DBXVSBKESA-N 480.240 6.669 50 10 JKGE Clc1cccc(OCc2cc(Br)cc(Br)c2)c1CBr 2337069497 PTDXFHDDZJPGJR-UHFFFAOYSA-N 469.398 6.339 50 10 JKGE Clc1ccc(CN2C[C@@H](Br)CC23CCCC3)cc1I 2337221743 SKCGEJFLZVQZIW-LBPRGKRZSA-N 454.577 5.227 50 10 JKGE CCCc1sc(Br)cc1[C@H](Br)c1cc(Br)ccc1Cl 2338021983 SQHQFLFKZJEAIG-CQSZACIVSA-N 487.482 7.363 50 10 JKGE Cc1ccc(OCc2ccc(I)c(Br)c2)c(CCl)n1 2349811348 WAOSWXGZQQXUNM-UHFFFAOYSA-N 452.517 5.075 50 10 JKGE C[C@@]12CC[C@@](CBr)(C1)N(Cc1ccc(I)c(Br)c1)C2 2349828666 FXXWXYYOTLKIIG-CABCVRRESA-N 499.028 5.193 50 10 JKGE Clc1ccc(I)cc1CN1[C@H]2CC[C@@H]1C[C@H](CBr)C2 2352414097 PRKJKHKHQMIZBI-ZOZIMZAQSA-N 454.577 5.083 50 10 JKGE Fc1c(Br)cc(Cl)c([C@H](Br)[C@H]2C[C@@H]3O[C@H]2[C@H]2C[C@@H]32)c1Br 2362226863 XIRSGOMNPFKAMC-LTJHVZACSA-N 489.404 5.864 50 10 JKGE Brc1cc2c(cc1[C@H](Br)c1cnsc1Br)OCCCO2 2362496244 HINNXQSXLDNOPI-LBPRGKRZSA-N 484.007 5.314 50 10 JKGE Cc1c([C@@H](Br)Cc2ccc(Br)cc2Cl)ccc(Cl)c1Cl 2364403224 PPRHEOLJBCGORE-LBPRGKRZSA-N 457.420 7.396 50 10 JKGE Cc1cc(Br)c(F)c(Br)c1[C@H](Br)C1CC(C2CCC2)C1 2365191622 PRAAVILACKSKMS-QIMFLAQGSA-N 469.030 6.921 50 10 JKGE COc1c(Br)cc(C)c([C@@H](Br)[C@H]2CCCC2(C)C)c1Br 2365231901 ORAUYMJMPXUEQI-MFKMUULPSA-N 469.055 6.791 50 10 JKGE COc1ccc([C@H](Br)c2ccc(Cl)cc2I)c(OC)c1 2365591742 IIIPUOBUHBAIHX-OAHLLOKOSA-N 467.528 5.446 50 10 JKGE CC1(C)CCC(C)(C)[C@H](Cc2cc(I)ccc2Cl)[C@@H]1Br 2380541669 JOZXSDYHSSVMLN-HIFRSBDPSA-N 469.632 6.713 50 10 JKGE O=C(NC1CCCCC1)[C@@H](c1ccc(Cl)cc1)N(CCc1c[nH]c2ccccc12)C(=O)CCl 3035218 DUXQERZBUKIRCB-RUZDIDTESA-N 486.443 5.621 50 10 JKGE COc1cc(/C=N/NC(=O)[C@@H]2C[C@H]2c2ccccc2)ccc1OCc1cccc2ccccc12 16007647 ULSQCQJGIHXWRR-MOPSLOJCSA-N 450.538 5.681 50 10 JKGE COc1cc(/C=C(/C#N)c2cccc(Cl)c2)ccc1OC(=O)/C=C/c1ccc([N+](=O)[O-])cc1 31902413 DMDFPECAIMWOEW-IPOOWYNDSA-N 460.873 5.940 50 10 JKGE COc1ccc(/C(C#N)=C\c2cc(Cl)c(OCCOc3ccc(C)cc3)c(OC)c2)cc1OC 33546733 SPTFVFHUNRAXBU-BKUYFWCQSA-N 479.960 6.196 50 10 JKGE C=CCOc1ccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4cccc(OCCCC)c4)ccc32)cc1 38658218 HLPPXYJTBOCCAR-MUUNZHRXSA-N 496.563 5.868 50 10 JKGE CCCCCOc1cccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4ccc(C)cc4)ccc32)c1 38684754 LPYWRPGMACVMAL-HHHXNRCGSA-N 468.553 6.001 50 10 JKGE CCCOc1ccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4oc5ccc(C)cc5c4C)ccc32)cc1 38687536 SRNUCBXFGDFNEU-HHHXNRCGSA-N 494.547 6.276 50 10 JKGE CCCCc1ccc(Nc2ncnc(NNC(=O)c3cccc4ccccc34)c2[N+](=O)[O-])cc1 40581298 YHQWVUFIADFGFI-UHFFFAOYSA-N 456.506 5.381 50 10 JKGE COc1ccccc1C(=O)N/N=C1\CCCc2oc(C(=O)Nc3cccc(Cl)c3Cl)c(C)c21 40813192 BAQWFKJZGHVNKL-LQKURTRISA-N 486.355 5.626 50 10 JKGE COc1ccccc1NC(=O)c1oc2c(c1C)/C(=N/NC(=O)c1ccc(Cl)cc1Cl)CCC2 40813726 HKUPILGBJZAQJO-MTDXEUNCSA-N 486.355 5.626 50 10 JKGE Cc1c(C(=O)Nc2ccc(Oc3ccccc3)cc2)oc2c1/C(=N/NC(=O)c1ccccn1)CCC2 40814240 NZFFDYPTRZPPAB-DFKUXCBWSA-N 480.524 5.498 50 10 JKGE O=C(N/N=C/c1c(Cl)cccc1Cl)c1ccc([C@@H]2Nc3ccccc3[C@@H]3C=CC[C@@H]32)cc1 59471616 ZBOGLGXFOCHCQI-MYKXWKEBSA-N 462.380 6.584 50 10 JKGE CCCCC1CCC(C(=O)Nc2ccc(C[C@@H](Br)C(C)C)cc2OCC)CC1 71436684 PWUPMBWVRZWGRX-DQVLVPHSSA-N 452.477 6.982 50 10 JKGE CC1(C)[C@@H](Br)C[C@@H]1Oc1c(Br)cc(Br)cc1Br 97646542 YHRKVHBPNLYKRR-UWVGGRQHSA-N 491.843 5.915 50 10 JKGE CC1=C(C#N)C(=O)N(C(C)C)C(=O)/C1=C/c1cn(-c2ccccc2)nc1-c1ccc(OC(C)C)cc1 101333815 DILLRMBSIHQGDR-MFKUBSTISA-N 480.568 5.327 50 10 JKGE Cc1ccc(CN(CCc2c[nH]c3ccccc23)C(=O)CN(CC(C)C)C(=O)C(Cl)Cl)cc1 102089852 JZXCMCGQQYREMR-UHFFFAOYSA-N 488.459 5.336 50 10 JKGE COc1cc(Br)c([C@H](Br)c2ccccc2Br)cc1OC 109860413 QGEKHBPOOJGMSR-OAHLLOKOSA-N 464.979 5.713 50 10 JKGE CCCCCOc1ccc(/C=N\NC(=O)CSc2nc3ccccc3s2)cc1OCC 137783273 INOQCEQWNXXSJT-IWIPYMOSSA-N 457.621 5.506 50 10 JKGE CC1(C)C(=O)Nc2ccc([C@@H](Br)c3cccc(I)c3)cc21 157609886 YBCIZAKBPMWQDC-HNNXBMFYSA-N 456.121 5.005 50 10 JKGE C[C@@H]1CC[C@H](CC(CBr)(CBr)c2ccccc2Br)O1 232063471 UOMCNUMGINUONG-VXGBXAGGSA-N 455.028 5.434 50 10 JKGE C[C@H]1Cc2cc([C@@H](Br)c3cc(Br)sc3Br)ccc2O1 235766671 XBZILZASZTYONE-WPPNPWJKSA-N 467.020 6.081 50 10 JKGE CC[C@]1(C)[C@H](Cl)C[C@H]1Oc1c(Br)cc(Br)cc1Br 251202113 GLGYJASZJDJBHI-NQBHXWOUSA-N 461.419 6.149 50 10 JKGE CCC(=NNC(=O)c1sc2cc(Cl)ccc2c1Cl)c1ccc(Br)s1 252611288 IIPNFQCFFVYNGA-UHFFFAOYSA-N 462.221 6.576 50 10 JKGE COc1ccccc1/C=C/C=NNC(=O)c1cc(-c2cccc(OCc3ccccc3)c2)n[nH]1 254488157 GAZJVMNGBFKMBL-YGXBZLBZSA-N 452.514 5.093 50 10 JKGE COc1ccccc1/C=C/C=NNC(=O)CSc1nnc(-c2ccc(C)cc2)n1-c1ccccc1 254759990 OPZJFZATTYBYAA-BIGBDEDESA-N 483.597 5.159 50 10 JKGE CC(C)(C)c1ccc(-c2nnc(SCC(=O)NN=C/C=C/c3ccco3)n2-c2ccccc2)cc1 254797340 LKQMEKAAQKIWPY-TZCIOPCRSA-N 485.613 5.732 50 10 JKGE Cc1ccc(-n2c(SCC(=O)NN=C/C(Cl)=C/c3ccccc3)nnc2-c2ccccc2)cc1 254832856 REDKXFWXKZQCFW-HQYUYLDOSA-N 488.016 5.717 50 10 JKGE CC(C)(C)OC(=O)N1CCC[C@](CI)(OCc2ccccc2Cl)C1 303741893 SGGXQUIOCSSTRN-GOSISDBHSA-N 465.759 5.061 50 10 JKGE O=[N+]([O-])c1sc(CBr)cc1Oc1cc(Cl)c(Br)cc1Cl 404297846 YDFKELZLTMBQJA-UHFFFAOYSA-N 461.946 6.413 50 10 JKGE Cc1ccc([C@@H](Br)c2cc(Br)c(Br)s2)cc1C(F)(F)F 692738462 BZJRRXLUCJIODB-LLVKDONJSA-N 492.980 7.085 50 10 JKGE Brc1cc2c(cc1[C@H](Br)c1ccsc1Br)OCCCO2 698583038 DBGIANDKPRBCJC-CYBMUJFWSA-N 483.019 5.919 50 10 JKGE CO[C@](C)(COCc1ccccc1)Cn1c([C@H](C)Cl)nc2ccc(Br)cc21 702782811 FRYBCGYFEGYKEK-BTYIYWSLSA-N 451.792 5.721 50 10 JKGE Brc1cc([C@@H](Br)c2ccc(C3CC3)s2)sc1Br 707974806 BFBAGWOAWJESRP-NSHDSACASA-N 457.050 6.696 50 10 JKGE FC(F)(F)C(F)(F)C[C@H](Br)c1cc(Br)ccc1Br 713277819 PITFFAISMIZNDK-QMMMGPOBSA-N 460.860 6.235 50 10 JKGE BrCc1cc(Br)c(OCC[C@H]2C[C@@H]2C2CC2)c(Br)c1 714877905 JXVKPSRETZHITD-NWDGAFQWSA-N 453.012 5.922 50 10 JKGE COCc1cc(Br)c([C@H](Cl)c2cccc(F)c2I)s1 721718419 KAXRSFWRHJBQBV-LLVKDONJSA-N 475.548 5.729 50 10 JKGE COc1cccc(/C=C(/C#N)C(=O)Nc2cc([N+](=O)[O-])ccc2Cl)c1OCc1ccccc1Cl 1083863562 VKXFQIUMZVSJSH-BOPFTXTBSA-N 498.322 6.035 50 10 JKGE COc1ccc(C(=O)NN=Cc2ccc(OCc3ccc(Cl)cc3Cl)cc2)cc1OC 1083896344 NCBYPWHWBXRXEC-UHFFFAOYSA-N 459.329 5.354 50 10 JKGE CCOC(=O)c1ccccc1NC(=O)c1oc2c(c1C)C(=NNC(=O)c1ccccc1Cl)CCC2 1772743884 KXHKRNWUTAPGHB-UHFFFAOYSA-N 493.947 5.141 50 10 JKGE CCc1cc(Br)ccc1OCC(=O)NN=Cc1ccc(OCc2ccc(C)cc2)cc1 1772755324 AZVDJIGWBURQJX-UHFFFAOYSA-N 481.390 5.428 50 10 JKGE CCCCc1nc(CC(=O)N/N=C/c2c(C(C)C)nc3c(Cl)cc(C(F)(F)F)cn23)cs1 1860774123 NMAPHSHNPLNYJX-JQAMDZJQSA-N 485.963 5.622 50 10 JKGE CCCCCOc1ccc([C@@H]2C(C#N)=C(N)Oc3c2c(CCC)nn3-c2ccc(OC)cc2)cc1 1865690362 PHRSOBMXOKOWFK-RUZDIDTESA-N 472.589 5.621 50 10 JKGE CCCCCOc1ccc([C@@H]2C(C#N)=C(N)Oc3c2c(-c2ccccc2)nn3CCC)cc1OC 1865695678 RFRQRAHZHKJOBK-XMMPIXPASA-N 472.589 5.756 50 10 JKGE Cn1cc([C@H]2C(C#N)=C(N)Oc3c2c(-c2ccccc2)nn3-c2cccc3ccccc23)c2ccccc21 1865699060 JYAIHKDMCITAKJ-MUUNZHRXSA-N 493.570 6.402 50 10 JKGE COc1cccc([C@H]2C(C#N)=C(N)Oc3c2c(-c2ccccc2)nn3Cc2ccccc2Cl)c1OC 1865700709 BNXOYNHKBBTDFK-QHCPKHFHSA-N 498.970 5.487 50 10 JKGE CCc1nn(-c2cccc(Cl)c2)c2c1[C@@H](c1cc(Br)ccc1F)C(C#N)=C(N)O2 1865701731 CYUXDLZPORQBPA-SFHVURJKSA-N 473.733 5.208 50 10 JKGE CCn1nc(C(F)(F)F)c2c1OC(N)=C(C#N)[C@@H]2c1ccccc1OCc1ccc(Cl)cc1 1865703969 JRKWHCKUGGLFOS-SFHVURJKSA-N 474.870 5.372 50 10 JKGE Cc1cccc(C(=O)c2cc(C#N)ccc2NC(=O)/C(C#N)=C/c2cccc(Br)c2)c1 1866130807 NTGLIQPAGZELPO-RGVLZGJSSA-N 470.326 5.406 50 10 JKGE COc1ccc([C@H](C(=O)NC(C)(C)C(=O)Nc2ccc(SC#N)cc2)C2CCCC2)cc1 1867009115 DRWHCROGNAJIFT-JOCHJYFZSA-N 451.592 5.076 50 10 JKGE CCOc1cc(/C=C(\C#N)c2nc3ccc(C)cc3[nH]2)ccc1OCc1c(Cl)cccc1Cl 1872727979 JEFHESVSOOAFBV-LDADJPATSA-N 478.379 7.220 50 10 JKGE COc1cccc(/C=C(\C#N)c2ncccc2[N+](=O)[O-])c1OCc1c(Cl)cccc1Cl 1872729011 IFHNGQDUNFORBR-RVDMUPIBSA-N 456.285 5.948 50 10 JKGE CCCOc1ccc(-c2csc(/C(C#N)=C(\O)c3ccc4c(c3)C(=O)N(CC(C)C)C4=O)n2)cc1 1872749299 KEZBGYMPLLQSRC-GYHWCHFESA-N 487.581 5.801 50 10 JKGE COc1ccc(/C=C(C(/O)=C(\C#N)c2nc(-c3ccc(C(C)C)cc3)cs2)\c2ccccc2)cc1 1872752266 UIRHAKOIJZPNID-YLOUKKIVSA-N 478.617 7.976 50 10 JKGE N#C/C(=C(O)\C=C\c1ccccc1Cl)c1nc(-c2ccc(Oc3ccccc3)cc2)cs1 1872753943 VOKVVQDLGRQXSG-PIXZGXNHSA-N 456.954 7.762 50 10 JKGE CCOC(=O)Oc1ccc(/C(O)=C(\C#N)c2nc(-c3cc(C)c(OC)cc3C)cs2)cc1 1872758192 PDBHMMNYNSIKCQ-QOCHGBHMSA-N 450.516 5.921 50 10 JKGE CCCCCOc1ccc(/C=C(\C#N)c2nc(-c3ccc(-c4ccccc4)cc3)cs2)cc1OC 1872782939 XWKWKDSGTMFZSS-NLRVBDNBSA-N 480.633 8.119 50 10 JKGE CCOc1ccc(-c2csc(/C(C#N)=C/c3ccc(OCc4ccccc4C)c(OCC)c3)n2)cc1 1872790485 LSIBONJZXBNAMX-PCLIKHOPSA-N 496.632 7.559 50 10 JKGE BrCC(CBr)Cc1ccc(I)c(Br)c1 1893242308 YNRVQQBYTMGEEI-UHFFFAOYSA-N 496.806 5.002 50 10 JKGE O=C(N[C@@H](CCCl)COCc1ccccc1)c1csc(Br)c1Br 1902924685 SLMYKEYWSHGHBS-LBPRGKRZSA-N 481.637 5.217 50 10 JKGE C[C@@H](CCBr)N(Cc1ccccc1)C(=O)c1cc(Cl)ccc1Br 1915129927 FCFSXHOCEANBOB-ZDUSSCGKSA-N 459.609 5.918 50 10 JKGE CC(C)[C@@H](CBr)N(Cc1ccccc1)C(=O)Cc1ccccc1Br 1915258526 ZEEHDRTYMCNHLE-LJQANCHMSA-N 453.218 5.440 50 10 JKGE Cc1c(Br)sc([C@H](Br)[C@H](C)c2ccccc2)c1Br 1922945189 DFIDWUQDUYRCIQ-LDYMZIIASA-N 453.037 6.821 50 10 JKGE Clc1c(Br)sc(Br)c1[C@H](Cl)[C@@H]1CCC[C@@H]2CCCC[C@@H]21 1923067436 CJQUGQHPGYWPNV-UXCLJVHYSA-N 461.090 7.813 50 10 JKGE CC1(C)CC[C@]2(CC[C@@](C)(CI)O2)[C@H](CNC(=O)OC(C)(C)C)C1 1927122010 MKHDESDUDWZSEI-JVPBZIDWSA-N 451.389 5.080 50 10 JKGE CCc1cc(Br)c([C@@H](Br)c2c(C)cccc2Br)s1 2029232801 MCISFVGHNSUZOD-ZDUSSCGKSA-N 453.037 6.628 50 10 JKGE COc1sc([C@H](Br)c2ccc(F)c(Br)c2)cc1Br 2034628170 CIOAETXHMJIMRP-LLVKDONJSA-N 458.972 5.905 50 10 JKGE COc1ccc(C)c([C@@H](Br)c2cc(Br)c(Br)s2)c1 2047193621 OHOYJKUNQBFHHQ-GFCCVEGCSA-N 455.009 6.074 50 10 JKGE Cc1c(Br)sc([C@H](Br)[C@H]2C[C@]23CCCOC3)c1Br 2077422491 IABGZYSHQBPMMG-JQEORGNBSA-N 459.041 5.834 50 10 JKGE Clc1csc([C@H](Br)c2cc(Cl)c(Cl)c(Cl)c2Cl)c1Cl 2096223292 AEKFLPRUFGUOCP-ZCFIWIBFSA-N 459.834 8.153 50 10 JKGE O=C(NC[C@@H]1CCCC[C@H](Br)C1)c1csc(Br)c1Br 2107482190 XFYWLDGYLVJABX-BDAKNGLRSA-N 474.056 5.347 50 10 JKGE Clc1cc(CC(CBr)(CBr)c2ccccc2Br)sn1 2110933805 BIANYJDVQGHMNE-UHFFFAOYSA-N 488.470 5.829 50 10 JKGE Cc1c([C@@H](Br)c2cc(C3CC3)c(Br)s2)nn(C)c1Br 2111932560 KYTPIXFNWBBYCT-JTQLQIEISA-N 469.040 5.677 50 10 JKGE C[C@H]1OCC[C@@H]1CC(CBr)(CBr)c1ccccc1Br 2121127553 ZORQJUPZERFZPB-VXGBXAGGSA-N 455.028 5.292 50 10 JKGE FC(F)c1ccc([C@@H](Br)c2ccc(Br)cc2Br)cc1 2138874310 VDBTZFWZWYRMQX-CYBMUJFWSA-N 454.934 6.634 50 10 JKGE Cc1ccc(C(CBr)(CBr)Cc2csc(Br)c2)cc1 2139781277 UYCWYSDIPNDMEQ-UHFFFAOYSA-N 467.064 6.089 50 10 JKGE Brc1scc([C@H](Br)c2ccc(-c3cccs3)s2)c1Br 2140972532 CDKCYFCJMMBVDM-NSHDSACASA-N 499.112 7.547 50 10 JKGE Cc1c(Cl)cc(C[C@H](CBr)c2ccc(Br)cc2)cc1Br 2167384786 KRYHDNBNKAOANY-CYBMUJFWSA-N 481.453 6.895 50 10 JKGE CCc1nn(-c2cc(Br)cc(F)c2CBr)c(CC)c1Br 2170684475 KEBHWJGZZIMYOL-UHFFFAOYSA-N 468.990 5.556 50 10 JKGE CC(C)C(CCO[C@@H](CI)c1ccccc1Br)C(C)C 2189251714 JVDHCEMCUJTYOZ-KRWDZBQOSA-N 453.202 6.260 50 10 JKGE CCn1cc([C@H](Br)c2c(Br)cc(F)c(Cl)c2F)nc1Br 2201609233 VUQGEAPEQJPGSJ-VIFPVBQESA-N 493.371 5.844 50 10 JKGE Cc1c(Br)sc([C@@H](Br)c2cscc2OCc2ccccc2)c1C 2210551949 BBDRGLFACJBXQH-INIZCTEOSA-N 472.267 7.252 50 10 JKGE CC1(C)C[C@@]1(Cl)[C@H](Cl)c1c(Br)sc(Br)c1Br 2211991333 WQLKIRKOAXZZJM-LHLIQPBNSA-N 471.867 6.723 50 10 JKGE COc1sc([C@H](Br)c2cc(Br)c(C)s2)cc1Br 2213746950 QSQQNHSGBJNWCS-SNVBAGLBSA-N 461.038 6.136 50 10 JKGE Cc1cc(Br)c([C@@H](Br)c2ccc(C)c(Br)c2C)s1 2221844021 TUMDIDMVACRZMB-ZDUSSCGKSA-N 453.037 6.683 50 10 JKGE Cc1cc(Br)c([C@@H](Br)[C@H]2CC[C@H](C)CC2)c(C)c1Br 2227351956 OQFMEECTVPRMJP-HCYDYPBKSA-N 453.056 7.091 50 10 JKGE Cc1cc(Br)c([C@@H](Br)[C@@H]2CCCC23CC3)c(C)c1Br 2227359055 DXPONJHHKWPQSQ-NHYWBVRUSA-N 451.040 6.845 50 10 JKGE Cl[C@@H](Cc1sc(Br)c(Br)c1Br)CN1CCCCCC1 2230054939 IXQPNUIQVJUGGV-VIFPVBQESA-N 494.518 6.062 50 10 JKGE Cc1ccccc1C[C@@H](Br)c1c(Br)cc(Cl)c(Cl)c1Cl 2232512540 NSEDMFRFRJMURQ-SNVBAGLBSA-N 457.420 7.396 50 10 JKGE Cc1cc(Br)c(C)c([C@H](Br)[C@@H]2CC[C@H]2C(F)(F)F)c1Br 2232581514 OMQIROZUJGKRMH-JRKPZEMJSA-N 478.972 6.853 50 10 JKGE Fc1cc(Br)c(Br)cc1[C@H](Br)[C@@H]1OC[C@H]2CCCC[C@H]21 2233982296 SUUYXHYTDVVBJE-NRYLCXMISA-N 471.002 5.992 50 10 JKGE FC1(F)C[C@@]1(Br)Cn1c(CCl)nc2cc(Br)c(Br)cc21 2234068775 HVBMMEIDGAGCEZ-LLVKDONJSA-N 493.371 5.473 50 10 JKGE COc1cc(Br)c([C@H](Br)c2cc(F)cc(Br)c2)cc1C 2236006144 BJBXBJGQGXBVIU-OAHLLOKOSA-N 466.970 6.152 50 10 JKGE CC[C@H](Cl)CN(Cc1ccccc1)C(=O)c1ccc(Cl)c(I)c1 2243592583 DVFNUMZRHMTFAX-HNNXBMFYSA-N 462.158 5.604 50 10 JKGE CC1CCC(COC2(CI)CCN(C(=O)OC(C)(C)C)CC2)CC1 2250267756 KPBVDSUFLGGQFZ-UHFFFAOYSA-N 451.389 5.034 50 10 JKGE C[C@H](C(F)(F)F)C(CBr)(CBr)c1ccccc1Br 2263896722 PQUAKNFGEMCNPX-QMMMGPOBSA-N 452.934 5.675 50 10 JKGE COCc1cc(Br)c([C@H](Br)c2cccc(Cl)c2Br)s1 2267983108 HDELNLVDONYVMA-GFCCVEGCSA-N 489.454 6.557 50 10 JKGE C[C@@H]1C[C@@H]1[C@@H]1C[C@H]1[C@@H](Br)c1c(F)cc(Br)c(F)c1Br 2272856552 YCVBUJXCHRWMNM-MJNATDKSSA-N 458.966 6.218 50 10 JKGE Fc1cc(Br)c(F)c(Br)c1[C@@H](Br)[C@]12COC[C@H](C1)C2 2273087561 XCWMNVGUVCEYBW-AJJMPYILSA-N 460.938 5.352 50 10 JKGE CCn1cc([C@H](Cl)Cc2cc(Br)cc(Br)c2)nc1Br 2277965272 LDRVUEXLLNESFA-LLVKDONJSA-N 471.418 5.713 50 10 JKGE FC1(F)C[C@](CBr)(Cc2cc(Cl)ccc2I)C12CCC2 2280845361 IWRFPEYLTPWNSY-ZDUSSCGKSA-N 475.542 6.078 50 10 JKGE COc1cc(F)c(F)cc1[C@H](Br)c1c(F)cccc1I 2282897480 UBLHUNWWJHEWIC-AWEZNQCLSA-N 457.027 5.201 50 10 JKGE Cc1cc(C=C(C#N)C(=O)NCc2cccs2)c(C)n1-c1ccc(Br)c2ccccc12 2293722845 LMRFNYCZARPPEV-UHFFFAOYSA-N 490.426 6.295 50 10 JKGE COc1c(Br)cc([C@@H](Cl)c2csc(I)c2)c(OC)c1C 2295435083 OMMGBHGDYJDXOG-LBPRGKRZSA-N 487.584 5.769 50 10 JKGE Brc1cc(Br)cc(C[C@@H](Br)c2ccc3scnc3c2)c1 2296140861 MHHMAYBLBKTANJ-CYBMUJFWSA-N 476.031 6.500 50 10 JKGE Cc1ccc(NC(=O)C(C#N)=C2S[C@H](Cc3ccccc3)C(=O)N2c2ccc(C)cc2)cc1 2296835054 SMEQWGHPQWTGQW-XMMPIXPASA-N 453.567 5.368 50 10 JKGE COc1cc(NC=C(C#N)c2nc(-c3ccc(OC)c(OC)c3)cs2)c(OC)cc1Cl 2297299498 FJKOVBCLBZFBMJ-UHFFFAOYSA-N 457.939 5.474 50 10 JKGE Brc1cc(OCc2ccccc2)ccc1[C@H](Br)[C@@H]1C[C@@H]2C[C@@H]2CO1 2299493364 GBKYKWAYQHOUHH-VZJWBNGJSA-N 452.186 5.889 50 10 JKGE CC1(C)[C@H]([C@@H](Br)c2ccc(OCc3ccccc3)cc2Br)C1(F)F 2299508883 LLDVCWYUWZTWDU-IRXDYDNUSA-N 460.156 6.755 50 10 JKGE N#CC(=Cc1ccccc1OCc1ccc([N+](=O)[O-])cc1)C(=O)Nc1cccc(Cl)c1Cl 2313571473 XFRLGDMAZBZIBM-UHFFFAOYSA-N 468.296 6.026 50 10 JKGE N#CC(=Cc1ccccc1OCc1ccc(Cl)cc1Cl)C(=O)Nc1ccc(Cl)cc1 2313630920 HXJGRMZDAJOXCT-UHFFFAOYSA-N 457.744 6.771 50 10 JKGE Cc1cccc(NC(=O)C(C#N)=Cc2cc(Cl)ccc2OCc2ccccc2Cl)c1C 2313667002 AYPXMDFNLWEEOP-UHFFFAOYSA-N 451.353 6.735 50 10 JKGE Cc1cccc(COc2ccc(Br)cc2C=C(C#N)C(=O)Nc2cc(C)ccc2C)c1 2313667033 CYBSOAKKNNWONR-UHFFFAOYSA-N 475.386 6.499 50 10 JKGE Fc1cc(Cl)c(Br)c(Cl)c1[C@H](Br)c1nscc1Br 2313752974 AQRCZWMEDMXRFR-QMMMGPOBSA-N 498.824 6.598 50 10 JKGE Brc1cc(OCc2ccccc2)ccc1[C@@H](Br)[C@@H]1CCCCC12CC2 2314501347 WMPOEAQDIAPLFI-PZJWPPBQSA-N 464.241 7.435 50 10 JKGE Cc1ccc(N2C(=O)[C@@H](Cc3ccccc3)SC2=C(C#N)C(=O)NCc2ccccc2)cc1C 2314593462 NDLKDFDOOZUKFT-RUZDIDTESA-N 467.594 5.046 50 10 JKGE CC1(C)C[C@@]1(C)[C@H](Br)c1c(Cl)cc(Br)c(F)c1Br 2315457197 AJSGISHPHFBMQJ-YPMHNXCESA-N 463.410 6.876 50 10 JKGE COCc1ccc([C@@H](Br)c2sc(Cl)cc2I)cc1 2316772358 RHKKTATXBRHDIT-GFCCVEGCSA-N 457.558 5.637 50 10 JKGE Cc1cc(F)c(Br)cc1[C@@H](Cl)c1sc(Cl)cc1I 2316773582 ZRFIYFWDLWRTEJ-LLVKDONJSA-N 479.967 6.544 50 10 JKGE Cc1cc(Br)c(F)c(Br)c1[C@@H](Br)[C@@H]1[C@@H](C)C1(F)F 2317423214 NJQLRPWXWPAFSH-HFHMMWAZSA-N 450.918 5.996 50 10 JKGE C[C@H]1CCC[C@](CI)(OCc2cccc(I)c2)C1 2319032517 XXJJWPCXBQEEOZ-WFASDCNBSA-N 470.132 5.192 50 10 JKGE C=CCn1c(SCC(=O)NN=CC=Cc2ccccc2)nc2scc(-c3ccccc3)c2c1=O 2320486457 XUGUFGCFRKZBKA-UHFFFAOYSA-N 486.622 5.219 50 10 JKGE CC(C)N(Cc1ccccc1)C(=O)C(C#N)=CNc1cc(C(F)(F)F)cc(C(F)(F)F)c1 2324522632 VPQNPMQUCOBOSH-UHFFFAOYSA-N 455.402 5.981 50 10 JKGE N#CSc1ccc(NC(=O)Oc2cccc3c(NC(=O)C=Cc4ccccc4)cccc23)cc1 2327379516 QTMXHNVCXVHRFB-UHFFFAOYSA-N 465.534 6.676 50 10 JKGE CCCCOc1ccc(C(O)=C(C#N)c2nc(-c3ccc(C(C)(C)C)cc3)cs2)cc1OCC 2331332710 AMUPKBVNTILUPK-UHFFFAOYSA-N 476.642 7.635 50 10 JKGE COCCCN1C(=O)c2ccc(C(O)=C(C#N)c3nc(-c4ccc(C(C)C)cc4)cs3)cc2C1=O 2331339801 ACBMSSKXOTWPGK-UHFFFAOYSA-N 487.581 5.516 50 10 JKGE CC(C)c1ccc(-c2csc(C(C#N)=C(O)CNC(=O)c3ccc(Cl)cc3Cl)n2)cc1 2331340373 XOLOZXZYAHVJEF-UHFFFAOYSA-N 472.397 6.463 50 10 JKGE CCOc1ccc(CCC(O)=C(C#N)c2nc(-c3cc(C)cc(C)c3OC)cs2)cc1OC 2331376386 ZDEIZDPKDUSEDB-UHFFFAOYSA-N 464.587 6.268 50 10 JKGE Cc1cc(OCCCC(O)=C(C#N)c2nc(-c3ccc(Cl)s3)cs2)cc(C)c1Cl 2331402034 IIRDKSIAYIHZIC-UHFFFAOYSA-N 465.427 7.447 50 10 JKGE Cc1c(Br)sc([C@@H](Br)[C@H]2OC[C@@H]3CCCC[C@H]23)c1Br 2333519672 AJSJUZZJKRIBBV-QSFUFRPTSA-N 473.068 6.223 50 10 JKGE Brc1cc(OCc2ccccc2)ccc1[C@@H](Br)c1ccccc1C1CC1 2336039645 YTYZZWUSTGNKKK-QHCPKHFHSA-N 472.220 7.390 50 10 JKGE Cc1cc(Br)c(F)c(Br)c1[C@@H](Br)[C@@H]1C[C@@H]2CC[C@H]1O2 2339647102 XYQVRKXNFIXOHC-PUJIEXKFSA-N 456.975 5.663 50 10 JKGE Cc1cc(Br)c(F)c(Br)c1[C@@H](Br)C[C@@]12CCC[C@@H]1C2 2339684779 CLVHRUAZGSDDDS-VPJDZLOFSA-N 455.003 6.675 50 10 JKGE COc1ccc(Br)cc1[C@@H](Cl)c1ccc(Cl)cc1I 2340063165 HUHAHDOYJPJUBA-AWEZNQCLSA-N 471.947 6.044 50 10 JKGE Fc1cc(CCl)ccc1OCc1cc(I)ccc1Br 2341781911 ZNAYMPMMCUHEFX-UHFFFAOYSA-N 455.492 5.511 50 10 JKGE ClCCN(Cc1ccsc1)Cc1ccc(I)c(Br)c1 2349824324 KZOFSVNAYQCMFE-UHFFFAOYSA-N 470.601 5.356 50 10 JKGE Clc1sc(Br)c(Cl)c1[C@@H](Br)[C@@H]1C[C@@H]2CCCCCC[C@@H]21 2354874758 GPVTVZQAZXBTNB-GUDRVLHUSA-N 461.090 7.860 50 10 JKGE Brc1ccc(OCc2ccccc2)c([C@@H](Br)[C@@H]2CC3(CCCCC3)CO2)c1 2361195615 QPWQLMHTOFOFJA-FCHUYYIVSA-N 494.267 7.204 50 10 JKGE FC(F)Oc1ccc([C@@H](Br)c2ccc(OCc3ccccc3)cc2Br)cc1 2361200509 JYMGJWCSVXYUBP-HXUWFJFHSA-N 498.161 7.114 50 10 JKGE COc1c(Br)cc(C)c([C@H](Br)[C@@H]2C[C@H]2C2CCC2)c1Br 2365194650 TTXNJOIWBLJZPF-MISXGVKJSA-N 467.039 6.401 50 10 JKGE Cc1cc(Br)c(F)c(Br)c1[C@@H](Br)[C@@]12CCCC[C@@H]1CC2 2365227240 CVXHQRDILYXKCD-UHNFBRDESA-N 469.030 7.066 50 10 JKGE Cc1cc(Br)c([C@H](Br)C23CC(C[C@@H](C)O2)C3)c(C)c1Br 2368040441 UGBHOLNGSPEUCW-RZOJGRSVSA-N 467.039 6.222 50 10 JKGE Cc1cc(Br)c(C(C)C)cc1[C@@H](Br)c1ccc(OCc2ccccc2)cc1 2380941762 JWWIDOLBQNOZBE-DEOSSOPVSA-N 488.263 7.944 50 10 JKGE CCc1cc(Br)c(OC)c([C@H](Br)c2c(Br)cnn2C)c1 2381249001 CHWWFTMSXOXQQO-LBPRGKRZSA-N 466.999 5.000 50 10 JKGE CC(C)C[C@H](CBr)CN1CC[C@H](C(F)(F)F)[C@@H](CNC(=O)OC(C)(C)C)C1 2382183695 BPSMEKWFLSITBZ-PMPSAXMXSA-N 459.391 5.069 50 10 JKGE Cc1ccc(CN(C(=O)CCl)[C@@H](C(=O)NC2CCCCC2)c2cccc(Br)c2)cc1 3040224 RTZDVBBRNGEDOM-HSZRJFAPSA-N 491.857 5.515 50 10 JKGE CCn1c2ccccc2c2cc(/C=N/NC(=O)COc3ccc(Br)c(C)c3)ccc21 12484907 ATJYKGKZVJBSIA-VULFUBBASA-N 464.363 5.414 50 10 JKGE COc1ccc(/C=N/NC(=O)COc2ccc(C(C)C)cc2Br)c2ccccc12 12580011 BANXAFCVXQJPBJ-DHRITJCHSA-N 455.352 5.263 50 10 JKGE Cc1ccc(NC(=O)/C(C#N)=C2/S[C@H](Cc3ccccc3)C(=O)N2c2ccc(C)cc2)cc1 33498871 SMEQWGHPQWTGQW-GUNDDFSMSA-N 453.567 5.368 50 10 JKGE N#C[C@H](Cl)Cc1ccccc1C(=O)Nc1ccc(Br)cc1C(=O)c1ccccc1 33809933 XVRMBAGOLKOHMU-GOSISDBHSA-N 467.750 5.606 50 10 JKGE N#C/C(=C/c1ccc(-c2cccc(Cl)c2)o1)C(=O)Nc1ccc([N+](=O)[O-])cc1C(F)(F)F 33930447 KKTRNFFUAMMQDN-LCYFTJDESA-N 461.783 6.073 50 10 JKGE COc1ccc(NC(=O)/C(C#N)=C/c2cc(C)n(-c3cccc(I)c3)c2C)cc1 34721928 LRICHLZWNMUDQB-LDADJPATSA-N 497.336 5.253 50 10 JKGE Cc1ccccc1OCC(=O)Oc1ccc2c(c1)OC(N)=C(C#N)[C@H]2c1ccc(C(C)(C)C)cc1 38649726 GZWNZUGSSNVIRQ-MHZLTWQESA-N 468.553 5.495 50 10 JKGE CCCCCOc1ccc(C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@@H]3c2ccccc2Cl)cc1 38651035 PVKDJIMNVXZNDG-AREMUKBSSA-N 488.971 6.346 50 10 JKGE Cc1cc(OCC(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@H]3c2ccccc2Cl)ccc1Cl 38651058 WDKGXSRZMIKSGG-DEOSSOPVSA-N 481.335 5.504 50 10 JKGE N#CC1=C(N)Oc2cc(OC(=O)C(c3ccccc3)c3ccccc3)ccc2[C@H]1c1ccc(Cl)cc1 38651429 OHABMHZOHTUHBQ-MUUNZHRXSA-N 492.962 6.296 50 10 JKGE N#CC1=C(N)Oc2cc(OC(=O)c3ccccc3F)ccc2[C@@H]1c1cccc(Br)c1 38651536 RMNDUSJBBYKOSQ-NRFANRHFSA-N 465.278 5.026 50 10 JKGE CCCCCOc1cccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4ccccc4F)ccc32)c1 38684819 BVXAPHQWBGEAST-SANMLTNESA-N 472.516 5.832 50 10 JKGE CCCCCOc1ccccc1[C@H]1C(C#N)=C(N)Oc2cc(OC(=O)c3ccccc3OCC)ccc21 38686202 HDWMNXZNECOLTC-MUUNZHRXSA-N 498.579 6.092 50 10 JKGE N#C/C(=C\c1ccc(-c2cccc(Cl)c2)o1)C(=O)Nc1sc2c(c1C(N)=O)CCCC2 39884975 OLIXORWIDZMIKF-SDNWHVSQSA-N 451.935 5.185 50 10 JKGE Cc1ccc(NC(=O)/C(C#N)=C/c2c(Oc3ccc(F)cc3)nc3c(C)cccn3c2=O)cc1C 39992981 ZTKYMQBUWCCTLG-XMHGGMMESA-N 468.488 5.097 50 10 JKGE Cc1c(C(=O)Nc2ccccc2)oc2c1/C(=N/NC(=O)c1ccc(-c3ccccc3)cc1)CCC2 40822726 NVDCPVQYLCTBRR-QFMPWRQOSA-N 463.537 5.978 50 10 JKGE Brc1ccc([C@@H](Br)c2cc(Br)sc2Br)cc1 71101499 LMOJDTROKWKDIN-SNVBAGLBSA-N 489.852 6.520 50 10 JKGE Cc1ccc(C)c([C@@H](C)NC(=O)/C(C#N)=C\c2cccn2Cc2ccc(Cl)cc2Cl)c1 96437823 OPFWJFXXRFMWHA-BDBXIWDTSA-N 452.385 6.244 50 10 JKGE Fc1cc2c(cc1Br)nc(CCl)n2-c1ccc(I)cc1 97398514 CSZQCXDYULPBRE-UHFFFAOYSA-N 465.491 5.271 50 10 JKGE CC1=C(C#N)C(=O)N(C2CCCCC2)C(=O)/C1=C/c1cn(-c2ccccc2)nc1-c1ccccc1 101338824 CCFFRXLLGRXTSX-KOEQRZSOSA-N 462.553 5.464 50 10 JKGE Fc1ccc([C@@H](Cl)c2cc(Br)ccc2Br)c(Br)c1 109803574 IGYDKZCYAXVWMX-CYBMUJFWSA-N 457.362 6.441 50 10 JKGE Brc1ccc(Br)c([C@H](Br)c2cc3c(s2)CCCCC3)c1 109844380 RFHZUPYSQPQTMI-INIZCTEOSA-N 479.075 7.026 50 10 JKGE C=CCOc1ccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)/C=C\c4ccc(C)cc4)ccc32)cc1 205647922 UKQSCAUDCDPOKM-LFZXTJFISA-N 464.521 5.397 50 10 JKGE Brc1ccc(Br)c([C@H](Br)[C@H]2CCc3ccccc3C2)c1 223603592 IUAMPYXZBYDQML-SUMWQHHRSA-N 459.019 6.453 50 10 JKGE COc1ccc([C@@H](Cl)c2ccc(I)cc2)c(OC)c1Br 224844350 IDDRIASOOVKAKF-AWEZNQCLSA-N 467.528 5.399 50 10 JKGE Clc1cc([C@H](Cl)c2cc(Br)cc(Br)c2)sc1Br 236038334 LGXLPXFPPLWDKT-SNVBAGLBSA-N 479.846 7.017 50 10 JKGE Clc1cc(Br)cc([C@@H](Br)c2cc(Cl)c(Br)s2)c1 236067831 OFPRZKCIPOHHJF-SNVBAGLBSA-N 479.846 7.064 50 10 JKGE CCOc1ccc(C(=O)Oc2ccc3ccccc3c2C=NNC(=O)c2ccc(F)cc2)cc1 263631906 CQCNHPDLIBDKBW-UHFFFAOYSA-N 456.473 5.361 50 10 JKGE N#C/C(=C1\CCCN(C(=O)OCc2ccccc2)C1)c1ccccc1I 309990097 ZJOCMQVDFCQEPY-ZPHPHTNESA-N 458.299 5.001 50 10 JKGE C[C@H]([C@H]1CCN(Cc2ccccc2)C1)n1c(CCl)nc2cc(I)ccc21 311659826 NQIQISRKWGKYPS-WBVHZDCISA-N 479.793 5.463 50 10 JKGE Clc1cc([C@H](Cl)c2cc(I)cc3c2OCC3)ccc1Br 312431666 ASKYUYIBZYINPP-AWEZNQCLSA-N 483.958 5.970 50 10 JKGE CC[C@@H](O[Si](C)(C)C(C)(C)C)[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)O 384344058 YJNCBEAMILHGCH-PKTZIBPZSA-N 469.654 5.779 50 10 JKGE Cc1ccc(Br)cc1[C@@H](Br)c1cc(Cl)c(Cl)c(Cl)c1Cl 404657639 OPJFRTMLOPSNIN-LLVKDONJSA-N 477.838 7.855 50 10 JKGE CC(C)(C)[Si](C)(C)OCCN1CCO[C@H](c2cccc(CO[Si](C)(C)C(C)(C)C)c2)C1 616647080 AGUSZOVEJKEVPY-QHCPKHFHSA-N 465.827 6.604 50 10 JKGE Fc1ccc([C@H](Br)c2c(F)cccc2Br)c(F)c1Br 691637357 VARWAWRENIWPKS-NSHDSACASA-N 458.897 6.113 50 10 JKGE Fc1c(Br)ccc(C[C@H](CBr)c2ccc(Br)cc2)c1F 701002454 ISEXRHWNDGBNQO-LLVKDONJSA-N 468.961 6.211 50 10 JKGE O=[N+]([O-])c1ccc(C[C@H](Cl)c2ccc(I)c(Br)c2)cc1 721571339 GFBPPEAYHQQCAK-ZDUSSCGKSA-N 466.500 5.485 50 10 JKGE FC(F)(F)c1cc([C@H]2CN(Cc3ccccc3)C[C@@H]2CBr)cc(C(F)(F)F)c1 725385318 TUJXBAFTPMHFOL-MAUKXSAKSA-N 466.263 6.335 50 10 JKGE COc1ccc(C=NNC(=O)c2cc3cc(Br)ccc3o2)cc1OCc1ccccc1 1084203213 IRBVRBLDJGLSDC-UHFFFAOYSA-N 479.330 5.547 50 10 JKGE C=CCc1cc(/C=C(\C#N)C(=O)N2CCN(c3ccccc3)CC2)ccc1OCc1ccccc1F 1084432752 MKIOHWJMABWPTG-LHLOQNFPSA-N 481.571 5.389 50 10 JKGE CCCCc1ccc(-n2c(C)cc(C=NNC(=O)c3cc4cc(Br)ccc4o3)c2C)cc1 1084549536 LTLPKSDJXKPRRM-UHFFFAOYSA-N 492.417 6.709 50 10 JKGE N#Cc1ccccc1COc1ccccc1C=NNC(=O)c1cc2cc(Br)ccc2o1 1084561987 OGEQDPPBQFUWOG-UHFFFAOYSA-N 474.314 5.410 50 10 JKGE CCCCCCOc1ccc([C@H]2CN(Cc3ccccc3)C[C@@H]2CI)cc1 1614620757 VUFMDEYNMMOPNK-LADGPHEKSA-N 477.430 6.296 50 10 JKGE CCOP(=O)(OCC)/C(C#N)=C\[C@@H]1[C@H](C(=O)OCc2cccc(Oc3ccccc3)c2)C1(C)C 1614949782 NTKWPTWFPNTXBE-RYEVUSRASA-N 483.501 6.468 50 10 JKGE COc1ccc(/C(C#N)=C/c2ccc(OC(=O)/C=C/c3ccc(Cl)cc3Cl)cc2)cc1OC 1615099340 HEVLOOCMNYGJTO-BDPZUMOYSA-N 480.347 6.694 50 10 JKGE CCc1nn(Cc2cccc(Cl)c2)c2c1[C@H](c1ccc(Cl)cc1Cl)C(C#N)=C(N)O2 1865685095 CZLQEONJLFWORB-LJQANCHMSA-N 459.764 5.672 50 10 JKGE N#CC1=C(N)Oc2c(c(C(F)(F)F)nn2Cc2ccccc2Cl)[C@H]1c1ccccc1Cl 1865686109 RJBTYWAPZGUFFU-INIZCTEOSA-N 465.262 5.475 50 10 JKGE CCOc1cccc([C@H]2C(C#N)=C(N)Oc3c2c(-c2ccccc2)nn3Cc2cc(C)ccc2C)c1 1865690093 IPCXELDTHVVTLL-SANMLTNESA-N 476.580 5.832 50 10 JKGE CCCCCCOc1ccc([C@H]2C(C#N)=C(N)Oc3c2c(-c2ccccc2)nn3CCC)cc1OC 1865696895 TUSNXOIFYGFPHT-VWLOTQADSA-N 486.616 6.146 50 10 JKGE N#CC1=C(N)Oc2c(c(-c3ccccc3)nn2Cc2c(F)cccc2Cl)[C@H]1c1ccc(F)cc1F 1865702511 WJISZNJMDUJSGQ-QFIPXVFZSA-N 492.888 5.887 50 10 JKGE COc1cc([C@@H]2C(C#N)=C(N)Oc3c2c(-c2ccccc2)nn3-c2ccccc2Cl)ccc1O 1865706122 OBONCCHMVQAWBX-JOCHJYFZSA-N 470.916 5.125 50 10 JKGE Cc1nc(-c2ccc(Cl)c(Cl)c2)ccc1C(=O)N/N=C\c1ccc(Cl)c(Cl)c1 1865762348 AMFWYBIZSNMFAC-MRUKODCESA-N 453.156 6.435 50 10 JKGE CCCCc1ccc(-c2csc(/C(C#N)=C(\O)c3ccccc3I)n2)cc1 1872745037 UKWZANMOEKWSOP-UZYVYHOESA-N 486.378 6.707 50 10 JKGE N#C/C(=C(/O)COc1cc(Cl)ccc1Cl)c1nc(-c2ccc3c(c2)CCCC3)cs1 1872745700 ZDXWBFMKSWOAID-UZYVYHOESA-N 457.382 6.867 50 10 JKGE C[C@@H](Oc1ccc(Cl)cc1)/C(O)=C(\C#N)c1nc(-c2ccc(Oc3ccccc3)cc2)cs1 1872754048 ZXEXWDJTRQGURD-NPPSCJOGSA-N 474.969 7.516 50 10 JKGE COc1c(Cl)cc(Cl)cc1-c1csc(/C(C#N)=C(\O)c2ccc(Cl)cc2[N+](=O)[O-])n1 1872754405 RBUKAHLYILIKSH-LGMDPLHJSA-N 482.732 6.637 50 10 JKGE COc1cc(/C=C(\C#N)c2nc(-c3cccc4ccccc34)cs2)ccc1OC(=O)c1ccccc1 1872792268 OWQGQMXGFQQNMF-XQNSMLJCSA-N 488.568 7.255 50 10 JKGE O=S(=O)(c1ccccc1C(F)(F)F)N(Cc1ccccc1)[C@@H](CBr)C1CC1 1915170672 AHKSMJDBVJWHMX-KRWDZBQOSA-N 462.331 5.070 50 10 JKGE Fc1ccc(F)c([C@H](Br)c2c(Br)sc(Br)c2Cl)c1F 1923061495 LFABKVQAAPFBIL-ZETCQYMHSA-N 499.371 6.828 50 10 JKGE Cl[C@H](C[C@H]1CC[C@@H]2C[C@@H]21)c1c(Br)sc(Br)c1Br 1924613125 GLHYIPXXFRQENF-OOJXKGFFSA-N 463.460 6.752 50 10 JKGE Clc1cc(Br)c([C@H](Br)c2csnc2Br)s1 1933588357 QJIRCOCJXADTMX-ZCFIWIBFSA-N 452.418 5.867 50 10 JKGE CCCC(CBr)(CBr)Cc1cccc(Br)c1Br 1943884599 ARBKIPZCVZLSMV-UHFFFAOYSA-N 491.887 6.330 50 10 JKGE Cn1nc([C@H](Br)c2cc(Br)ccc2Br)cc1Br 1945319800 LJQZSCZYZPIAPS-LLVKDONJSA-N 487.815 5.192 50 10 JKGE Clc1c(Br)sc(Br)c1[C@@H](Br)C[C@H]1C[C@H]2C[C@H]2C1 1950172876 ALSURCWKDSTUEA-HSNKUXOKSA-N 463.460 6.799 50 10 JKGE CN[C@H](c1c(Br)sc(Br)c1Cl)[C@H]1C[C@H](Br)C1 1991429491 KEGXLLZZINAONJ-YQJDLUKNSA-N 452.437 5.361 50 10 JKGE FC1(C[C@@H](Cl)c2c(Br)sc(Br)c2Br)CCC1 1994684729 BTHZRWHRTWKGBZ-RXMQYKEDSA-N 455.412 6.598 50 10 JKGE N#CC(C(=O)CN1CCC(Cc2ccccc2)CC1)=C1NC(c2ccc(Cl)cc2)=CS1 2042453439 JMOQGTSUDPDHMH-UHFFFAOYSA-N 450.007 5.234 50 10 JKGE CC(C)[C@H](CBr)N(Cc1ccccc1)C(=O)Cc1ccc(O)c(Br)c1 2050363355 ZKULHXZUXNAPRW-SFHVURJKSA-N 469.217 5.146 50 10 JKGE Fc1cc(Cl)c(Br)cc1[C@@H](Cl)c1cc(Br)c(Cl)s1 2052446680 VKWUOCWNOCDRIB-SNVBAGLBSA-N 453.385 7.047 50 10 JKGE Cc1cc(C)c([C@H](Br)c2cc(Br)sn2)c(C)c1Br 2056495640 GKPWJSYVEODXJV-CYBMUJFWSA-N 454.025 6.078 50 10 JKGE Brc1ccc(Br)c([C@H](Br)c2ncn3ccsc23)c1 2083983244 XWISUXMHWIJSKA-JTQLQIEISA-N 450.981 5.405 50 10 JKGE Fc1ccc([C@@H](Br)c2ccc(Br)cc2I)c(F)c1 2086149593 PQTHBXGEYOGFQZ-CYBMUJFWSA-N 487.907 5.816 50 10 JKGE Cc1sc(Br)cc1[C@H](Br)c1csc2c(Br)cccc12 2095699794 RWUBIPIXWKPTFB-ZDUSSCGKSA-N 481.072 7.281 50 10 JKGE COc1ccc([C@H](Br)c2cc(Br)cs2)c(OC)c1Br 2115926101 RWYHUZLISJLYED-NSHDSACASA-N 471.008 5.775 50 10 JKGE CO[C@H]1CC[C@@H]1CCOc1c(Br)cc(CBr)cc1Br 2130344046 FFAVCJIYNKTOKK-MFKMUULPSA-N 457.000 5.300 50 10 JKGE O=C(NC[C@@H](Br)c1ccccc1)c1c(Br)cccc1Br 2150491826 UHEXCRNCKKASCG-CYBMUJFWSA-N 461.979 5.078 50 10 JKGE COc1c(C)cc(Br)c(C)c1[C@H](Br)c1cc(C)sc1Br 2157249464 SCPCNFJZOQVDAM-CYBMUJFWSA-N 483.063 6.691 50 10 JKGE CCOc1ccc([C@H](Br)c2c(C)nn(C)c2Br)cc1Br 2185750573 OWRFIQYLSAUJOS-ZDUSSCGKSA-N 466.999 5.137 50 10 JKGE COc1cc(Br)c(C(=O)N(Cc2ccccc2)[C@@H](CCl)C2CC2)cc1OC 2189043985 OBDSTOZOTPTJQT-SFHVURJKSA-N 452.776 5.126 50 10 JKGE CCOc1ccc([C@H](Cl)c2ccc(I)c(C)c2)cc1Br 2207105059 TUZTTYGMBGRMCP-MRXNPFEDSA-N 465.556 6.089 50 10 JKGE COc1sccc1[C@@H](Br)c1cc(Br)c(Br)cc1F 2218595804 ATOBRMOKVVZXJH-LLVKDONJSA-N 458.972 5.905 50 10 JKGE Cn1cc(Br)c([C@@H](Cl)c2cc(Br)c(Br)cc2F)n1 2218605151 DITLCTLCOIDLGP-JTQLQIEISA-N 461.354 5.175 50 10 JKGE Cc1scc([C@@H](Br)c2cc(Br)c(Br)cc2F)c1C 2218605615 IWIGLVUEAZPLNV-ZDUSSCGKSA-N 457.000 6.513 50 10 JKGE Clc1ccc(C(CBr)(CBr)Cc2ncsc2Br)cc1 2226134273 PDJVRZLYCHOCRG-UHFFFAOYSA-N 488.470 5.829 50 10 JKGE Cc1cc([C@H](Cl)c2c(Br)cc(C)c(Br)c2C)c(Br)s1 2227349364 RJSSHOYALOSKAE-ZDUSSCGKSA-N 487.482 7.289 50 10 JKGE Cc1cc(Br)c([C@H](Br)C2(C(F)(F)F)CC2)c(C)c1Br 2227361515 DKLYHCXSLLIGAS-NSHDSACASA-N 464.945 6.607 50 10 JKGE Cc1cccc([C@H](Cl)Cc2ccc(Br)cc2Cl)c1I 2229145858 ZONYEQDXYNFFBT-CQSZACIVSA-N 469.975 6.538 50 10 JKGE CC1(C)CN(C(=O)c2csc(Br)c2Br)C[C@@H]1CCBr 2230134603 VDMAWELJXCKBAE-QMMMGPOBSA-N 474.056 5.156 50 10 JKGE COC12CCC([C@H](Br)c3ccc(Br)cc3Br)(CC1)C2 2231608774 QRBUHXVZHGQICH-WLYUNCDWSA-N 453.012 5.997 50 10 JKGE Fc1cccc([C@H](Cl)c2c(Br)cc(Cl)c(Cl)c2Cl)c1Br 2232511402 JWXNJKCXBSXMLB-NSHDSACASA-N 481.801 7.639 50 10 JKGE FC1(F)[C@@H]2COC[C@]21[C@H](Br)c1c(Br)cc(Cl)c(Cl)c1Cl 2232514017 SRKHRZXAUGCTFY-DIMCTHFVSA-N 471.350 6.127 50 10 JKGE Cc1cc(Br)c([C@H](Cl)c2cccc(F)c2I)c(C)c1Cl 2232514156 TYWHHADSHWKTGZ-CQSZACIVSA-N 487.965 6.791 50 10 JKGE O=S1(=O)CCCC[C@@H]1[C@H](Br)c1c(Br)cc(Cl)c(Cl)c1Cl 2232514291 UNYUYBLJPLDCBC-SCZZXKLOSA-N 485.452 5.813 50 10 JKGE COCC12CCC([C@@H](Br)c3sc(Br)cc3Br)(CC1)CO2 2237696769 YZBRRDSFBHILSP-HSBZDZAISA-N 489.067 5.685 50 10 JKGE FC1(F)CC[C@H]([C@@H](Cl)c2c(Br)sc(Br)c2Br)C1 2252721272 LJXOYTJMEQKYMY-MHTLYPKNSA-N 473.402 6.751 50 10 JKGE Cc1sc([C@H](Br)c2cc(F)cc(Br)c2)c(Br)c1C 2253506744 ZLSBIGVWBSZMSK-GFCCVEGCSA-N 457.000 6.513 50 10 JKGE COc1c(Br)cc(Cl)c(C)c1[C@@H](Br)[C@H]1C[C@H](Br)C1 2263447996 HSBYDPZASGBRDR-UBJUHAIHSA-N 461.419 6.029 50 10 JKGE FC(F)(F)c1csc([C@H](Cl)c2scc(Br)c2Cl)c1Br 2264590587 ITXWWMUNXPNJDI-ZETCQYMHSA-N 474.976 7.335 50 10 JKGE C[C@H]1C[C@@H]1CCCCOc1c(Br)cc(CBr)cc1Br 2265722428 DMXWWCLNGGGPMO-JQWIXIFHSA-N 455.028 6.312 50 10 JKGE CCN[C@@H](c1c(F)cc(Br)c(F)c1Br)[C@H]1C[C@@H](Br)C1 2272748755 YYEANLVRNNMZMP-DDZXGWPLSA-N 461.970 5.314 50 10 JKGE Clc1ccc([C@H](Cl)c2cc3c(cc2Br)OCC3)cc1I 2283584373 YEYGQYADVAONIH-HNNXBMFYSA-N 483.958 5.970 50 10 JKGE FC1CC2(C1)CC(CO[C@H](CI)c1ccccc1Br)C2 2288340379 MWMDUCBHBZWARN-XATBXUDESA-N 453.133 5.470 50 10 JKGE CC1(C)[C@H]2C[C@H]([C@H](Br)c3c(F)cc(Br)c(F)c3Br)C[C@H]21 2288373090 FJFKXPOKTJZIPA-ZNWBZCOPSA-N 472.993 6.608 50 10 JKGE CCOC(=O)c1c(-c2ccc(Cl)cc2)csc1NC(=O)C(C#N)=Cc1ccccc1O 2293031316 KGYMQMMNQRGIDP-UHFFFAOYSA-N 452.919 5.496 50 10 JKGE N#CC(=Cc1ccc(-c2ccc(Cl)cc2Cl)o1)C(=O)Nc1ncc(Cc2ccc(F)cc2)s1 2293039034 WGHSKSOJKPQSDN-UHFFFAOYSA-N 498.366 6.985 50 10 JKGE Cc1cc([C@H](Cl)c2cc3sc(Br)cc3s2)cc(C)c1Br 2295492450 JXRBKWUKBOYNKQ-HNNXBMFYSA-N 450.648 7.433 50 10 JKGE CCc1c(C)sc(NC(=O)C(C#N)=Cc2cn(Cc3ccccc3)c3ccccc23)c1C#N 2295670014 YXMZOOUGJGUKIE-UHFFFAOYSA-N 450.567 6.039 50 10 JKGE Cc1ccc(CSC(Nc2ccccc2Cl)=C(C#N)S(=O)(=O)c2ccccc2)cc1 2297350007 LJYWERKCPXQECX-UHFFFAOYSA-N 455.004 6.160 50 10 JKGE COc1cc(C=C(C#N)C(=O)Nc2nc3ccccc3s2)ccc1OCc1cccc(C)c1 2297500359 LILQNPVUKUDGIV-UHFFFAOYSA-N 455.539 5.738 50 10 JKGE ClC[C@H](Br)[C@@H](CCl)OCc1cc(Br)cc(Br)c1 2300178747 LRVQBZPPRAKFKR-WDEREUQCSA-N 469.826 5.338 50 10 JKGE N#CC(=Cc1ccc(OCc2ccc(Cl)c(Cl)c2)cc1)C(=O)NCCc1c[nH]c2ccccc12 2313556946 PAJMCQGUYRHUCX-UHFFFAOYSA-N 490.390 6.320 50 10 JKGE Cc1ccc(Cl)cc1NC(=O)C(C#N)=Cc1ccccc1OCc1ccc(Br)cc1 2313738520 GFOJCOMRVWCFET-UHFFFAOYSA-N 481.777 6.536 50 10 JKGE Cc1ccc([C@@H](Br)c2cc(Br)ccc2OCc2ccccc2)c(C)c1 2314450354 YMCALOGJCYAADZ-JOCHJYFZSA-N 460.209 7.129 50 10 JKGE Cc1ccc(NC(=O)C(C#N)=Cc2c(Oc3ccccc3Cl)nc3c(C)cccn3c2=O)cc1C 2314534152 ZOAPRLDETFKBIZ-UHFFFAOYSA-N 484.943 5.611 50 10 JKGE CCc1ccc(N2C(=O)[C@@H](Cc3ccccc3F)SC2=C(C#N)C(=O)NCc2ccccc2)cc1 2314593113 HSUDRAOKAHEGQI-RUZDIDTESA-N 485.584 5.131 50 10 JKGE CCCCCCCCOc1ccc(C=C2C(=O)N(CCCCCC)C(=O)C(C#N)=C2C)cc1OC 2314610430 IISVGONXNXBZKM-UHFFFAOYSA-N 480.649 6.607 50 10 JKGE CCOc1cc(C=C2C(=O)N(C(C)C)C(=O)C(C#N)=C2C)ccc1OCc1ccc(Cl)cc1Cl 2314611746 ZSJFLQWEOAMEHI-UHFFFAOYSA-N 499.394 5.972 50 10 JKGE CC1=C(C#N)C(=O)N(Cc2ccc(F)cc2)C(=O)C1=Cc1ccc(-c2ccc(Br)cc2)o1 2314619932 HGUISRPGIWJSAC-UHFFFAOYSA-N 491.316 5.641 50 10 JKGE Cc1cc(Cl)c([C@@H](Br)c2cc(Br)c(Br)s2)c(Cl)c1 2327903022 LQCMBOBGYOGRQS-NSHDSACASA-N 493.873 7.373 50 10 JKGE N#CC(=C(O)c1ccc2c(c1)C(=O)N(c1ccc(F)cc1)C2=O)c1nc(-c2ccccc2)cs1 2331304775 AAKFLCJVRFRNQG-UHFFFAOYSA-N 467.481 5.700 50 10 JKGE CCCCCCCOc1ccc(-c2csc(C(C#N)=C(O)c3ccc(Cl)s3)n2)cc1 2331345778 XKWWQMQKMDCXRW-UHFFFAOYSA-N 459.036 7.824 50 10 JKGE COc1ccc(Cl)cc1-c1csc(C(C#N)=C(O)C(=Cc2ccccc2)c2ccccc2)n1 2331410778 CGODISDWKKCDAK-UHFFFAOYSA-N 470.981 7.506 50 10 JKGE CC1(C)C[C@H](CBr)CN(Cc2ccc(Cl)c(I)c2)C1 2337229724 LCOXRGXKQIHMIL-GFCCVEGCSA-N 456.593 5.188 50 10 JKGE Clc1ccc(CN2C[C@H](Br)CCC23CCC3)cc1I 2337230662 VVDIJKYHSLHMSF-GFCCVEGCSA-N 454.577 5.227 50 10 JKGE FC(F)(F)C12CC([C@@H](Br)c3sc(Cl)cc3I)(CO1)C2 2338564846 WBKGIOYRGKDVLF-IDKOKCKLSA-N 487.506 5.554 50 10 JKGE Cn1nc(Br)c(Br)c1[C@H](Br)c1cc(F)c(F)cc1Cl 2338860277 KIKDHEZLEORBKA-MRVPVSSYSA-N 479.344 5.361 50 10 JKGE COc1c(Br)cc(C)c([C@H](Br)[C@@H]2CCO[C@@H]2C)c1Br 2339651837 SRFKYYSXLLDRDX-KBVBSXBZSA-N 457.000 5.390 50 10 JKGE CCC1([C@H](Br)c2c(C)cc(Br)c(F)c2Br)CCCC1 2339675456 RILSZMKOVAHQAE-CQSZACIVSA-N 457.019 7.066 50 10 JKGE COc1c(Br)cc(C)c([C@H](Br)[C@@H]2C[C@@H]3C[C@@H]3C2)c1Br 2339689501 DMFQVCYRMBCJPY-KEPMVKOISA-N 453.012 6.011 50 10 JKGE CC(C)[C@@H]1CC[C@H](Br)[C@@H](Cc2cc(I)ccc2Cl)C1 2352440590 GENJKOKTOBTUIA-JMSVASOKSA-N 455.605 6.323 50 10 JKGE Cc1ccc([C@@H](Cl)c2c(Cl)cc(Br)c(F)c2Br)c(Cl)c1 2362223487 JQDYNQFUCRYODG-CYBMUJFWSA-N 461.383 7.294 50 10 JKGE Fc1c(Br)cc(Cl)c([C@H](Cl)[C@@]23COC[C@@H]2C3(F)F)c1Br 2362232649 QILORDZLFGVMRZ-NRZXQICZSA-N 454.895 5.566 50 10 JKGE Brc1cc(Br)cc(CO[C@@H]2C[C@H](Br)C23CCCCC3)c1 2362239330 LIWFHUDWYSGHBF-LSDHHAIUSA-N 467.039 6.215 50 10 JKGE CCCCC[C@H]1CC[C@H]([C@H](Br)c2sc(Cl)cc2I)CC1 2363887748 MIJWUZDSTCWBTH-HUBLWGQQSA-N 489.688 7.829 50 10 JKGE BrC[C@@]1(Cc2c(Br)cccc2Br)C[C@H]2C=C[C@H]1CCC2 2363971288 LMUVWJQCTASZHD-XNJGSVPQSA-N 463.051 6.512 50 10 JKGE Fc1cc(Br)c(Br)cc1[C@H](Br)[C@H]1COC2(CCC2)CO1 2364134572 KIKAYEUGLCBYKE-OLZOCXBDSA-N 472.974 5.125 50 10 JKGE Cc1cc(Br)c(F)c(Br)c1[C@H](Br)[C@H]1CCCCC1(F)F 2365214543 BHAGCEDEAKXHGL-LDYMZIIASA-N 478.972 6.921 50 10 JKGE Cc1cc(Br)c(F)c(Br)c1[C@H](Br)C[C@H]1CC(C)(C)CO1 2365218050 JGZULOHWAJHSKC-VHSXEESVSA-N 473.018 6.300 50 10 JKGE COc1c(Br)cc(C)c([C@H](Br)[C@@H]2C[C@@H]2CC(C)C)c1Br 2365232934 DHQSHRYHGJMZEN-MISXGVKJSA-N 469.055 6.647 50 10 JKGE COc1cc(F)c(Cl)cc1[C@@H](Br)c1ccc(Cl)cc1I 2365596977 YWSVZCSLWPNJKX-AWEZNQCLSA-N 489.937 6.230 50 10 JKGE COc1cc(CBr)cc(OCc2c(Br)cccc2Br)n1 2366218046 VZWLDQAWDHKJFZ-UHFFFAOYSA-N 465.967 5.089 50 10 JKGE Cc1ccc(CBr)c(OCc2cc(Cl)ccc2Br)c1Br 2381134744 HKSPARTUCXMNRP-UHFFFAOYSA-N 483.425 6.647 50 10 JKGE N#C/C(=C/c1cn(Cc2ccc(Br)cc2)c2ccccc12)C(=O)Nc1ccc(O)cc1 797802 WZLPOMFYRCJYAO-AQTBWJFISA-N 472.342 5.703 50 10 JKGE CC[C@H](C)c1ccccc1O[C@H](C)C(=O)NNC(=O)COc1ccc(C(C)C)cc1Br 9873746 QFXVNJWXIWGDRR-DLBZAZTESA-N 491.426 5.080 50 10 JKGE CC[C@H](Oc1ccccc1[C@@H](C)CC)C(=O)NNC(=O)CCC(=O)Nc1ccc(Cl)cc1Cl 10683436 LXPKZWSBZFIXND-YWZLYKJASA-N 494.419 5.231 50 10 JKGE COc1ccc(/C(C)=N/NC(=O)C=C(Sc2ccccc2)Sc2ccccc2)cc1OC 21317329 LOCOXDWHBNMPKR-NLRVBDNBSA-N 464.612 5.970 50 10 JKGE COc1ccc(/C(C#N)=C\c2ccc(OC(=O)/C=C/c3ccc(C)cc3)c(OC)c2)cc1OC 31902095 YADZFRNOTGCNTH-NHGLXRKWSA-N 455.510 5.704 50 10 JKGE N#C/C(=C/c1cc([N+](=O)[O-])ccc1Sc1ccc(Cl)cc1)S(=O)(=O)c1ccccc1 33413120 KYIAYJQDLGJOIE-MOSHPQCFSA-N 456.932 5.738 50 10 JKGE Cc1cc(/C=C(\C#N)C(=O)Nc2ccc(Br)cc2)c(C)n1-c1cccc(C(F)(F)F)c1 33626036 OTYCMOSITOYVNE-GZTJUZNOSA-N 488.307 6.421 50 10 JKGE N#CC1=C(N)Oc2cc(OC(=O)c3cccs3)ccc2[C@@H]1c1ccc(OCc2ccccc2)cc1 38650926 WDOXGBZTPWKEGU-SANMLTNESA-N 480.545 5.764 50 10 JKGE CCCCOc1ccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4ccc(C)cc4)ccc32)cc1OCC 38683984 GJFVKGRBRMGZEK-NDEPHWFRSA-N 498.579 6.010 50 10 JKGE CCCCCOc1cccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4cccs4)ccc32)c1 38684798 XGTROXOXMVLMHT-XMMPIXPASA-N 460.555 5.754 50 10 JKGE COc1cccc(C(=O)N/N=C2\CCCc3oc(C(=O)Nc4cc(Cl)ccc4Cl)c(C)c32)c1 40822351 YWXANBCDUNOCTG-MTDXEUNCSA-N 486.355 5.626 50 10 JKGE Cc1ccc(C)c(CS/C(Nc2ccccc2F)=C(\C#N)S(=O)(=O)c2ccccc2)c1 58058227 UYLMVUOXPRHGLD-WCWDXBQESA-N 452.576 5.954 50 10 JKGE C[C@H]1COc2ccc([C@@H](Br)c3cccc(I)c3)cc2OC1 70511251 PTLDCYXZPITBFQ-GTNSWQLSSA-N 459.121 5.183 50 10 JKGE CC(C)(C)c1ccc(CS/C(Nc2ccccc2Cl)=C(/C#N)S(=O)(=O)c2ccccc2)cc1 96482135 RAWQKOVOWRFYPN-IZHYLOQSSA-N 497.085 7.149 50 10 JKGE O=C(N/N=C/c1cccc(Oc2ccccc2)c1)c1ccc(NC(=O)c2ccc(F)cc2)cc1 97729833 OSEOYLYLFCKSGW-RDRPBHBLSA-N 453.473 5.634 50 10 JKGE N#CC(/C=C1/C(=O)N(c2c(Cl)cccc2Cl)c2ccccc21)=C(/N)NCc1ccccc1 100429741 YSGPDSCBKMWRKF-PDECRVGFSA-N 461.352 5.539 50 10 JKGE CCCCCCCOc1ccc(/C=C(/C#N)C(=O)Nc2ncc(Cc3cccc(C)c3)s2)cc1 102973989 MCALZSHUXCJYAD-ULJHMMPZSA-N 473.642 6.937 50 10 JKGE COc1ccc([C@H](Br)c2ccc(Br)cc2Cl)c(Br)c1 109876912 KRUXJSSRBKMSJX-AWEZNQCLSA-N 469.398 6.358 50 10 JKGE BrC[C@@H](CCOc1ccc(Br)cc1)c1ccccc1Br 118867506 NOUWIFLPCYFSKH-GFCCVEGCSA-N 463.007 6.159 50 10 JKGE CCCC[C@H](CC)CC(CBr)(CBr)c1cccc(Br)c1 118878693 HYHNHUMCIOWJDQ-AWEZNQCLSA-N 469.099 7.083 50 10 JKGE CCOc1ccc(Br)cc1[C@@H](Cl)c1csc(I)c1 124401362 WXVBBCRNXXGXIR-ZDUSSCGKSA-N 457.558 5.842 50 10 JKGE Fc1cc(Br)cc([C@H](Br)c2ccc(Br)c3ccccc23)c1 127470178 FVUOEMIXTJYPNJ-KRWDZBQOSA-N 472.977 6.988 50 10 JKGE Cc1cc(Br)c([C@@H](Br)C2(CC(C)C)CCCC2)cc1Br 128784623 GQBOHLJZBAJGNR-MRXNPFEDSA-N 467.083 7.563 50 10 JKGE CCSc1ccc(-c2nn(-c3ccccc3)cc2/C=C2\C(=O)N(CC(C)C)C(=O)C(C#N)=C2C)cc1 214272387 CVXLNBXIHVTSBJ-MYYYXRDXSA-N 496.636 5.900 50 10 JKGE CC1=C(C#N)C(=O)N(C2CCCC2)C(=O)/C1=C\c1cn(-c2ccccc2)nc1-c1cc(C)ccc1C 214357322 MFPUVIIXMKIXOE-QQXSKIMKSA-N 476.580 5.691 50 10 JKGE COc1ccc([C@@H](Cl)c2cccc(Br)c2Cl)c(OC)c1Br 224833492 XBBDTNREJPHULD-ZDUSSCGKSA-N 454.973 6.210 50 10 JKGE COc1ccc([C@H](Br)c2c(Cl)cccc2Cl)c(OC)c1Br 224850032 IDCBRXLEFDPGSF-ZDUSSCGKSA-N 454.973 6.257 50 10 JKGE Cc1cc([C@H](Br)c2cc(Cl)cc(Br)c2)c(C)cc1Br 235857995 GOXKETQQMRUTQJ-OAHLLOKOSA-N 467.426 6.966 50 10 JKGE FC(F)(F)c1csc([C@H](Br)c2csc(Br)c2)c1Br 302578569 BZCSVIUFHYHTDD-SSDOTTSWSA-N 484.982 6.838 50 10 JKGE COc1ccc([C@H](Br)c2cc(Cl)c(C)cc2Br)c(Br)c1 380611375 PWCGNTKDUVXTSV-HNNXBMFYSA-N 483.425 6.666 50 10 JKGE C[C@H](Cl)C[C@H]1CCCCN1C(=O)c1cc(Br)ccc1I 383614381 SUQXEDYVFXCNDR-CMPLNLGQSA-N 470.576 5.066 50 10 JKGE Fc1cc2c(cc1I)nc(CCCl)n2C[C@H]1CCN(Cc2ccccc2)C1 383860726 XXSFWHSNVVNOGQ-INIZCTEOSA-N 497.783 5.083 50 10 JKGE CCO/C(O)=C(\C#N)[C@H](c1ccccc1)[C@H](C(=O)Nc1ccc(Br)cc1)[n+]1ccccc1 585145734 RJVXZOZSUZGBPQ-HUMKFQICSA-O 493.381 5.030 50 10 JKGE CC(C)(C)[Si](C)(C)OCCc1cccc([C@@H]2COCCCN2CCO[Si](C)(C)C(C)(C)C)c1 616644968 KUNBPUOOLKMXSI-VWLOTQADSA-N 493.881 7.036 50 10 JKGE CC(C)(C)OC(=O)N1C[C@H](c2ccccc2CCO[Si](C)(C)C(C)(C)C)Nc2ccccc21 616680211 LEVMCPQTXRSCRV-HSZRJFAPSA-N 468.714 7.159 50 10 JKGE Brc1ccc(Br)c([C@H](Br)[C@@H]2CCC[C@H]3CCCC[C@@H]32)c1 714468209 PMTZGUPXVYWRQS-ABYLEIOUSA-N 465.067 7.254 50 10 JKGE COc1ccc([C@@H](Cl)c2ccc(I)c(Br)c2)c(F)c1 721601873 IFOWUYGTLQCQFX-AWEZNQCLSA-N 455.492 5.530 50 10 JKGE COc1cc(F)c([C@@H](Br)c2cccc(F)c2I)c(F)c1 721695765 BVBWALIJROJZMK-ZDUSSCGKSA-N 457.027 5.201 50 10 JKGE N#C/C(=C\c1ccc(OCc2ccc(Cl)c(Cl)c2)cc1)C(=O)Nc1ccc(Cl)cc1 1084014689 TVNGPHMNZFSXMX-GZTJUZNOSA-N 457.744 6.771 50 10 JKGE CN(C)C(=O)/C(C#N)=C/c1cc(Cl)c(OCc2ccc(Cl)cc2)c(Br)c1 1084061213 KNVCMWPNPJSZCR-VGOFMYFVSA-N 454.151 5.330 50 10 JKGE CCOc1ccc(C=NNC(=O)CSc2nc(-c3ccc(Cl)cc3)cs2)cc1OCC 1772754984 DZSXJJGRVYGKEE-UHFFFAOYSA-N 476.023 5.503 50 10 JKGE COc1c(Cl)cc(-c2nc3ccc(C(=O)Nc4ccc(SC#N)cc4)cc3[nH]2)cc1Cl 1861860506 HBQCVPYDICBBJO-UHFFFAOYSA-N 469.353 6.371 50 10 JKGE Cc1ccc(-n2nc(-c3ccccc3)c3c2OC(N)=C(C#N)[C@@H]3c2c(Cl)cccc2Cl)cc1 1865685649 LJYDAIIIBNKMJA-OAQYLSRUSA-N 473.363 6.373 50 10 JKGE CCc1nn(-c2ccc(Br)cc2)c2c1[C@H](c1ccc(C(C)C)cc1)C(C#N)=C(N)O2 1865686362 VLKATZPVLBKFOB-OAQYLSRUSA-N 463.379 5.539 50 10 JKGE N#CC1=C(N)Oc2c(c(C(F)(F)F)nn2Cc2ccccc2F)[C@H]1c1c(Cl)cccc1Cl 1865686488 WHXXFDRAKISXPP-OAHLLOKOSA-N 483.252 5.614 50 10 JKGE CCCc1nn(C)c2c1[C@@H](c1ccc(OCc3c(Cl)cccc3Cl)c(OC)c1)C(C#N)=C(N)O2 1865689325 PPFLHLCZNOLGEC-QFIPXVFZSA-N 499.398 5.485 50 10 JKGE CCOc1ccc([C@@H]2C(C#N)=C(N)Oc3c2c(C)nn3-c2cccc3ccccc23)cc1OCC 1865689392 RDJHMHFPCLARTE-AREMUKBSSA-N 466.541 5.350 50 10 JKGE CCCOc1cccc([C@H]2C(C#N)=C(N)Oc3c2c(CC)nn3-c2ccc(Br)cc2)c1 1865693951 NDEQPLRLIQAERX-NRFANRHFSA-N 479.378 5.204 50 10 JKGE CCCOc1cccc([C@@H]2C(C#N)=C(N)Oc3c2c(C(F)(F)F)nn3-c2ccc(Cl)cc2)c1 1865693971 NKIJXSHGXLHVKG-GOSISDBHSA-N 474.870 5.551 50 10 JKGE Cc1ccsc1[C@@H]1C(C#N)=C(N)Oc2c1c(C(F)(F)F)nn2-c1ccc(Br)cc1 1865699026 IVVLBWBKRQRUIA-CYBMUJFWSA-N 481.297 5.242 50 10 JKGE Cc1nn(Cc2cccc(Cl)c2)c2c1[C@@H](c1cc(Br)ccc1F)C(C#N)=C(N)O2 1865701740 DFUHEFRQDMSWAF-IBGZPJMESA-N 473.733 5.013 50 10 JKGE COc1ccc(-c2nn(Cc3ccccc3)c3c2[C@H](c2ccc(F)cc2F)C(C#N)=C(N)O3)cc1 1865702026 KWXQIHNRQGPNFQ-HSZRJFAPSA-N 470.479 5.103 50 10 JKGE CCOc1cc([C@@H]2C(C#N)=C(N)Oc3c2c(CC)nn3C)ccc1OCc1c(Cl)cccc1Cl 1865703616 XFFHFCVCTHBODR-JOCHJYFZSA-N 499.398 5.485 50 10 JKGE CCCOc1ccccc1[C@@H]1C(C#N)=C(N)Oc2c1c(C)nn2Cc1ccc(Cl)c(Cl)c1 1865704366 UJSBXEGAHYCORA-JOCHJYFZSA-N 469.372 5.554 50 10 JKGE COc1ccccc1[C@H]1C(C#N)=C(N)Oc2c1c(-c1ccccc1)nn2-c1ccc(Cl)c(Cl)c1 1865710501 ZOCGEVBEFDQMHS-QFIPXVFZSA-N 489.362 6.073 50 10 JKGE CCCc1nn(Cc2ccccc2Cl)c2c1[C@H](c1ccc(C(F)(F)F)cc1)C(C#N)=C(N)O2 1865710937 MACDDBSURQLECR-HXUWFJFHSA-N 472.898 5.774 50 10 JKGE Cc1cc([C@@H](CC(=O)N[C@H](C(=O)Nc2ccc(SC#N)cc2)c2ccccc2)C(C)C)ccc1F 1866767622 RQRYJFHDVNHMOZ-IGKIAQTJSA-N 489.616 6.333 50 10 JKGE COc1cc(/C=C(\C#N)c2ncccc2[N+](=O)[O-])cc(Br)c1OCc1ccccc1 1872729105 NYATVDDDEJHDRE-LICLKQGHSA-N 466.291 5.404 50 10 JKGE COc1cccc(-c2csc(/C(C#N)=C(\O)Cc3ccc(OCc4ccccc4)cc3)n2)c1 1872744516 WCVLPNCSUSPIDO-LCUIJRPUSA-N 454.551 6.433 50 10 JKGE COc1c(Cl)ccc(Cl)c1/C(O)=C(\C#N)c1nc(-c2cccc(Br)c2)cs1 1872745989 MOEGTCZHTRWZCF-ATVHPVEESA-N 482.186 6.838 50 10 JKGE N#C/C(=C(/O)[C@H]1CC(=O)N(Cc2ccccc2)C1)c1nc(-c2ccc(Oc3ccccc3)cc2)cs1 1872753689 IYGBLGBDNYFTLU-XOFWUJAUSA-N 493.588 6.444 50 10 JKGE CCOc1ccc(-c2csc(/C(C#N)=C(\O)c3cc([N+](=O)[O-])cc([N+](=O)[O-])c3)n2)c(OCC)c1 1872755152 AKAOZFDNXAYSCK-UZYVYHOESA-N 482.474 5.374 50 10 JKGE CCOc1ccc(-c2csc(/C(C#N)=C(\O)COc3ccc(Cl)c(C)c3)n2)c(OCC)c1 1872755179 BVDGYCIRLBAPRD-QOCHGBHMSA-N 470.978 6.441 50 10 JKGE COc1c(C)cc(Cl)cc1-c1csc(/C(C#N)=C(\O)c2c(Cl)ccc(Cl)c2Cl)n1 1872756865 FAGMGMJZYHKUHY-PDGQHHTCSA-N 486.207 7.691 50 10 JKGE N#C/C(=C(/O)c1ccccc1I)c1nc(-c2ccc(Cl)s2)cs1 1872757981 FPXUAEACRXWXAI-GDNBJRDFSA-N 470.744 6.079 50 10 JKGE CCOc1ccc(OCC)c(-c2csc(/C(C#N)=C/c3cc(Br)ccc3O)n2)c1 1872792639 JNJSVQJBBNZEGW-OQLLNIDSSA-N 471.376 6.140 50 10 JKGE CCOc1cc(/C=C(\C#N)c2nc(-c3ccc(C)c(C)c3)cs2)ccc1OCC(=O)N(CC)CC 1872793488 CKFSRVKJTCFLQS-OEAKJJBVSA-N 489.641 6.137 50 10 JKGE CCCCCCCCCOc1ccc(/C=N/NC(=O)Cn2c(O)nc3ccccc3c2=O)c(Cl)c1 1873792541 JEWXSCAVRHJBAT-OGLMXYFKSA-N 499.011 5.035 50 10 JKGE COc1ccc(C)cc1-c1csc(/C(C#N)=C(\O)[C@H]2CC(=O)N([C@H](C)c3ccccc3)C2)n1 1873920949 NEPBSPWVVLHFBJ-JINKVKSISA-N 459.571 5.530 50 10 JKGE Cc1sc(Br)cc1C(=O)N(Cc1ccccc1)C1(CBr)CCC1 1915760923 UZJWHYPKQPLDGA-UHFFFAOYSA-N 457.231 5.779 50 10 JKGE COc1ccc([C@@H](Br)c2sc(Br)c(C)c2Br)s1 1922932239 JUCJRESTMRIYBV-SECBINFHSA-N 461.038 6.136 50 10 JKGE Clc1c(Br)sc(Br)c1[C@@H](Cl)c1cc2sccc2s1 1923041099 YQUPCQWYIFIHLE-QMMMGPOBSA-N 463.068 7.531 50 10 JKGE C[C@@H](CC(F)(F)F)[C@H](Cl)c1c(Br)sc(Br)c1Br 1924605962 ZFAAUFABHRBUCO-DZSWIPIPSA-N 479.381 6.904 50 10 JKGE Fc1cc([C@@H](Br)c2c(Cl)sc(Br)c2Cl)c(F)c(F)c1F 1925554075 LAOHWUBEWNPUAF-RXMQYKEDSA-N 472.910 6.858 50 10 JKGE CCCOc1cccc([C@H](Br)c2c(Cl)sc(Br)c2Cl)c1 1925597339 CYYAAQZQNDEAGZ-NSHDSACASA-N 459.030 7.091 50 10 JKGE FC(F)(F)CC1([C@H](Br)c2sc(Br)cc2Br)CC1 2007728342 BITYTDPRNJVHTA-MRVPVSSYSA-N 456.947 6.442 50 10 JKGE FC(F)(F)[C@@H]1C[C@@H]1C[C@@H](Br)c1sc(Br)cc1Br 2012966237 YDTLUJBSLJLGFZ-HSUXUTPPSA-N 456.947 6.298 50 10 JKGE CCOc1cc(C=CC(=O)c2ccc(O)c(CCCl)c2)cc(Br)c1OCC 2040503210 NPIHLVSLUHSNOE-UHFFFAOYSA-N 453.760 5.630 50 10 JKGE Fc1cc(Br)cc(Oc2ccc(OCc3ccccc3)cc2)c1CBr 2051130864 BAUJTSVHYMPCTQ-UHFFFAOYSA-N 466.144 6.854 50 10 JKGE Fc1cc(Br)c([C@@H](Cl)c2cc(I)sn2)c(F)c1F 2056495871 ILUNUHUESFADLL-QMMMGPOBSA-N 468.463 5.256 50 10 JKGE Cc1sc(Br)c([C@H](Br)c2cc(Br)ccc2F)c1C 2082885639 RQCAKXBWCBUGSM-GFCCVEGCSA-N 457.000 6.513 50 10 JKGE Brc1cccc(CN2CC[C@@H]3C[C@H](Br)CC[C@@H]32)c1Br 2092330019 DGKMLJRTNYPOGU-QKCSRTOESA-N 452.028 5.350 50 10 JKGE FC(F)(F)c1sccc1[C@H](Cl)c1c(Br)sc(Br)c1Cl 2101412490 BOYYPWLZWZENDX-YFKPBYRVSA-N 474.976 7.335 50 10 JKGE ClCc1ccc(Br)c(Cl)c1N1CC[C@@]2(CCN(Cc3ccccc3)C2)C1 2107029540 IKHMUURKGIVZHQ-OAQYLSRUSA-N 454.239 5.944 50 10 JKGE CN(Cc1c(Br)cccc1Br)[C@H]1CCCCC[C@H]1Br 2115915200 PYSHJOIMQCPKIF-CABCVRRESA-N 454.044 5.740 50 10 JKGE FC(F)(F)[C@@H]1CN(Cc2ccccc2)CCN1c1ccc(CBr)cc1Br 2130159551 LSFADLTYXCINIS-SFHVURJKSA-N 492.177 5.597 50 10 JKGE CC[C@@]12CC[C@@]([C@@H](Br)c3c(Br)sc(Br)c3Cl)(CO1)C2 2137168067 AQMXEZVFZHJWQK-XDTLVQLUSA-N 493.486 6.712 50 10 JKGE COc1c(C)cc(Br)cc1[C@H](Cl)c1ccccc1I 2141640581 UVZOVZNWXHSLLV-CQSZACIVSA-N 451.529 5.699 50 10 JKGE Cc1cc([C@H](Cl)c2ccc(Br)cc2I)c(C)cc1F 2142292042 QMUSLXAFKGAUQF-OAHLLOKOSA-N 453.520 6.138 50 10 JKGE Clc1cc(C[C@H]2C[C@@H](Br)CC3(CCC3)C2)ccc1I 2142938954 CMKJFLHKBWBXHY-QWHCGFSZSA-N 453.589 6.221 50 10 JKGE Cc1cc(Br)c([C@H](Br)[C@H]2CCCC(C)(C)CC2)cc1Br 2157079251 NTDSFYHBARKVLE-BLLLJJGKSA-N 467.083 7.563 50 10 JKGE CCc1ccc(S(=O)(=O)N(Cc2ccccc2)CC2CCCC2)cc1CBr 2179860652 VOKDCPANVDLXIJ-UHFFFAOYSA-N 450.442 5.525 50 10 JKGE COc1cc(C)c([C@H](Br)c2cccc(Br)c2F)cc1Br 2198736407 DKNIPPMNDKWQNY-CQSZACIVSA-N 466.970 6.152 50 10 JKGE FC(F)(F)c1ccc(-n2c(Cl)nc(Cl)c2CBr)c(I)c1 2204127172 JCECQFVQCWLIST-UHFFFAOYSA-N 499.883 5.697 50 10 JKGE Clc1cc(C[C@H](CBr)Cc2ccccc2Cl)ccc1I 2208045089 OUUWZPCZXNAWRS-LBPRGKRZSA-N 484.002 6.394 50 10 JKGE Cc1cc(Br)cc(CBr)c1OC[C@H]1CC1(Br)Br 2213083641 LIKWKAYMRROVHF-SECBINFHSA-N 491.843 5.537 50 10 JKGE Cc1sc([C@@H](Cl)c2sc(Br)c(C)c2Br)cc1Br 2213746158 GMMFREZQOWPODA-SECBINFHSA-N 479.484 7.042 50 10 JKGE Clc1cc(Br)ccc1C[C@H](Cl)c1ccc(I)cc1 2221693037 KUSRJTPCWYPUBA-ZDUSSCGKSA-N 455.948 6.230 50 10 JKGE CC(C)([C@@H](Br)c1c(Br)cc(Cl)c(Cl)c1Cl)C(F)(F)F 2224314444 YKVCYILSFAVGIM-VIFPVBQESA-N 463.346 7.434 50 10 JKGE C=CCC(CBr)(CBr)Cc1c(Br)sc2ccccc12 2224707890 GEXPTNFDWUWKQP-UHFFFAOYSA-N 467.064 6.559 50 10 JKGE Cc1cc(Cl)cc([C@H](Br)c2cc(Br)c(Br)cc2F)c1 2225616190 DCTRAOSVPVBBAH-AWEZNQCLSA-N 471.389 6.797 50 10 JKGE Fc1cc(Br)c(Br)cc1[C@H](Br)c1cscc1C(F)F 2225634735 QWGHFPWSEYXUHE-NSHDSACASA-N 478.953 6.834 50 10 JKGE Cc1cc(Br)c([C@H](Br)c2c(C)coc2C)c(C)c1Br 2227366803 GJCFZRUZQDPJKQ-OAHLLOKOSA-N 450.996 6.523 50 10 JKGE CCCCCCCCCCCCO[C@](C)(CI)CNC(=O)OC(C)(C)C 2231007583 ATMCUXMXDMTWEL-OAQYLSRUSA-N 483.475 6.642 50 10 JKGE Fc1cc(Br)c(Br)cc1[C@H](Br)c1cc(F)c(F)c(F)c1 2233976984 RVKNFLAQWLWWHJ-GFCCVEGCSA-N 476.887 6.252 50 10 JKGE COC1CC2(C1)CC([C@H](Br)c1cc(Br)c(Br)cc1F)C2 2233977531 VWJVNOCBLPDTMI-UUHZRANKSA-N 471.002 5.992 50 10 JKGE Cc1sc([C@@H](Br)c2ccc(Br)c3ccccc23)cc1Br 2234476610 ZGHZJEYARAPKSP-INIZCTEOSA-N 475.043 7.219 50 10 JKGE Fc1c(F)c(C[C@H](Br)COCc2ccccc2)c(F)c(F)c1Br 2243481022 OWMJBFNEXUGWIL-JTQLQIEISA-N 456.071 5.528 50 10 JKGE Cc1sc([C@H](Br)c2ccc(Br)cc2F)c(Br)c1C 2253472580 BUHIXOOYTOYZFY-GFCCVEGCSA-N 457.000 6.513 50 10 JKGE CCc1cc([C@H](Br)Cc2ccc(Br)cc2Cl)sc1Br 2267866643 QBQQEXCJKWPPBW-LLVKDONJSA-N 487.482 7.168 50 10 JKGE Fc1ccc([C@@H](Br)c2ccc(Cl)c(I)c2)c(F)c1F 2268284039 MNTCDQGRNVTQGI-NSHDSACASA-N 461.446 5.846 50 10 JKGE Cc1cc(Cl)c(Cl)cc1[C@H](Cl)c1sc(Br)c(C)c1Br 2270986168 CIUVMYBMBGZNMI-NSHDSACASA-N 463.449 7.525 50 10 JKGE Fc1cc(Br)c(F)c(Br)c1[C@H](Br)[C@@H]1C[C@@H]2CCC[C@H]21 2272853996 CKBLEHCAOTZDCM-HIHLCYOISA-N 458.966 6.362 50 10 JKGE Clc1ccc(Br)cc1CO[C@@H](CI)c1ccccc1 2277807525 WZUOLSWJBCWNDN-HNNXBMFYSA-N 451.529 5.795 50 10 JKGE Cc1ccc(Cl)c([C@@H](Br)Cc2cc(Br)cc(Br)c2)c1 2277966094 PYHQGORCKWGMJS-AWEZNQCLSA-N 467.426 6.852 50 10 JKGE COc1cc(C)c(Br)cc1[C@@H](Cl)c1ccc(Cl)c(I)c1 2283575732 XPLQDIJGJPPAEX-HNNXBMFYSA-N 485.974 6.352 50 10 JKGE C[C@H](Br)C[C@@H]1CCCCN1C(=O)c1ccc(Cl)c(I)c1 2283656859 PTKOMNDXWAINGI-JQWIXIFHSA-N 470.576 5.113 50 10 JKGE Fc1cc(Br)c(F)c(Br)c1[C@H](Br)[C@]12COC[C@H]1C2(F)F 2288480180 GLJCORIEMDACCV-DADVEIPYSA-N 482.891 5.208 50 10 JKGE Fc1cc(Br)c(F)c(Br)c1[C@H](Br)C1CC(CC2CC2)C1 2288482024 CMEQIEMHGSRMLP-KJHLLKJSSA-N 472.993 6.752 50 10 JKGE Fc1cc(Br)c(F)c(Br)c1[C@H](Br)[C@H]1[C@@H]2[C@H]1CCC2(F)F 2288484279 QZIDBFPFIUNXIB-YJPQIIHGSA-N 480.919 6.217 50 10 JKGE Cc1nn(C)c([C@H](Br)c2c(F)cc(Br)c(F)c2Br)c1Cl 2288488713 LMTQGOLYYYJLCW-SECBINFHSA-N 493.371 5.669 50 10 JKGE COc1c(C)cc(C)cc1[C@H](Br)c1c(Br)cccc1Br 2295359877 KMFSBWJXAKNFGU-HNNXBMFYSA-N 463.007 6.321 50 10 JKGE CS(=O)(=O)c1cscc1[C@H](Br)c1cc2sc(Br)cc2s1 2295500534 JZOWLWKHGBDKAI-LBPRGKRZSA-N 472.270 5.675 50 10 JKGE CCCCCCOC(=O)c1ccccc1NC=C(C#N)c1nc(-c2ccc([N+](=O)[O-])cc2)cs1 2295956263 QGLSJERJMGXCDX-UHFFFAOYSA-N 476.558 6.432 50 10 JKGE CN(Cc1cc(Br)ccc1Br)[C@@H](CBr)c1ccccc1 2296481009 XTODKJFRLAOCEE-INIZCTEOSA-N 462.023 5.780 50 10 JKGE CCCCOC(=O)c1c(NC(=O)C(C#N)=Cc2cn(C)c3ccccc23)sc2c1CCCC2 2296833127 DWXCSIHDVNAYNO-UHFFFAOYSA-N 461.587 5.621 50 10 JKGE Cc1ccc2nc(C(C#N)=Cc3cn(Cc4ccc(Cl)c(Cl)c4)c4ccccc34)[nH]c2c1 2297326860 PDPCJLSJZWMAQD-UHFFFAOYSA-N 457.364 7.245 50 10 JKGE CCOc1ccccc1NC(SCc1cccc([N+](=O)[O-])c1)=C(C#N)C(=O)NCc1cccs1 2297414555 JACFSBFOZCMREI-UHFFFAOYSA-N 494.598 5.452 50 10 JKGE Brc1ccc(OCc2ccccc2)c([C@H](Br)[C@H]2CC23CCCC3)c1 2299503251 DGHKLAPHFLZYQB-QUCCMNQESA-N 450.214 7.044 50 10 JKGE C[C@@H]1OCC[C@@H]1C[C@@H](Br)c1cc(Br)ccc1OCc1ccccc1 2299505552 XTKAALBDUGBOLY-ZSZQSSIHSA-N 454.202 6.279 50 10 JKGE FC(F)C(F)(F)C[C@@H](Br)c1cc(Br)ccc1OCc1ccccc1 2299535781 SJKAWTIUHWIQSV-CQSZACIVSA-N 470.098 6.755 50 10 JKGE CC(C)(C)OC(=O)NC[C@](C)(CI)OCCC1CCCCCCC1 2303071068 KFLGICXUVIILTA-IBGZPJMESA-N 453.405 5.472 50 10 JKGE Brc1cc(C[C@H]2CCCCC[C@H]2Br)ccc1I 2306215980 AHLYQUMYEIJKEN-VXGBXAGGSA-N 472.002 5.940 50 10 JKGE COc1cc(C=C(C#N)C(=O)Nc2cccc(C)c2C)ccc1OCc1cccc(C(=O)O)c1 2313543484 BLGUWJJKJPNRES-UHFFFAOYSA-N 456.498 5.135 50 10 JKGE Fc1cc(Cl)c(Br)c(Cl)c1[C@H](Br)c1cc(Br)sn1 2313813213 IBXZGWDVPTVSKB-SECBINFHSA-N 498.824 6.598 50 10 JKGE COC[C@@H]1CC[C@@H]([C@H](Br)c2cc(Br)ccc2OCc2ccccc2)C1 2314441031 VLWPIIGEAJGVHP-LZJOCLMNSA-N 468.229 6.527 50 10 JKGE Cc1ccc(Cl)cc1[C@H](Br)c1ccc(OCc2ccccc2)cc1Br 2314450256 XQFFFBHDJGPVLM-OAQYLSRUSA-N 480.627 7.474 50 10 JKGE CC[C@@H](CC(F)(F)F)[C@@H](Br)c1cc(Br)ccc1OCc1ccccc1 2314452847 QYIAXKFVYDVSNE-KBXCAEBGSA-N 480.162 7.443 50 10 JKGE Brc1ccc(OCc2ccccc2)c([C@H](Br)[C@@H]2C[C@H]3O[C@H]2[C@H]2C[C@H]23)c1 2314454599 HMUGMSWDPLPRHC-FEVDEQQUSA-N 464.197 5.888 50 10 JKGE Cc1cc([C@H](Cl)c2cc(Br)ccc2OCc2ccccc2)ccc1Br 2314503127 PGVDVVZNEAWREA-NRFANRHFSA-N 480.627 7.427 50 10 JKGE C=CCN1C(=O)C(=Cc2cn(-c3ccccc3)nc2-c2ccc(OC(C)C)cc2)C(C)=C(C#N)C1=O 2314616810 KFEARCYXVFDSLF-UHFFFAOYSA-N 478.552 5.105 50 10 JKGE CCCCCOc1ccc(C=C2C(=O)N(Cc3ccc(F)cc3)C(=O)C(C#N)=C2C)cc1OC 2314619972 IGKBMKKSBHUHGH-UHFFFAOYSA-N 462.521 5.196 50 10 JKGE Fc1cc(Br)cc(CCl)c1OCc1sccc1I 2316757855 NPIJKJQJMWLDIR-UHFFFAOYSA-N 461.521 5.572 50 10 JKGE Cc1sc(Br)c(C)c1[C@@H](Cl)c1ccc(Cl)cc1I 2317772674 FXFFDJWFBBHTHO-LBPRGKRZSA-N 476.004 6.714 50 10 JKGE CCCCCCCOc1ccccc1C=NNC(=O)c1ccc2nc(-c3ccccc3)[nH]c2c1 2323744984 UNEZJKWMJOMEHL-UHFFFAOYSA-N 454.574 6.343 50 10 JKGE CCCCCCCCCOc1ccc(C=NNC(=O)[C@@H]2CCCN2C(=O)OC(C)(C)C)cc1OC 2328829479 MJVIFXFDJTYIOH-QFIPXVFZSA-N 489.657 5.674 50 10 JKGE COc1ccc(OCC(O)=C(C#N)c2nc(-c3cccc([N+](=O)[O-])c3)cs2)c(C(C)(C)C)c1 2331232787 OBSPKOHWGISHOL-UHFFFAOYSA-N 465.531 5.896 50 10 JKGE COc1ccc(-c2csc(C(C#N)=C(O)c3cc([N+](=O)[O-])c(C)c([N+](=O)[O-])c3)n2)cc1C 2331260133 IHTOVJKTIBKXPP-UHFFFAOYSA-N 452.448 5.202 50 10 JKGE CCOc1ccc(OCC)c(-c2csc(C(C#N)=C(O)c3c(Cl)ccc(Cl)c3OC)n2)c1 2331376715 LKAGTPFWHBWHHL-UHFFFAOYSA-N 491.396 6.873 50 10 JKGE COc1cc(OC)c(-c2csc(C(C#N)=C(O)c3ccc(Cl)c([N+](=O)[O-])c3)n2)cc1Cl 2331381208 WQCQDHMLNHCNKU-UHFFFAOYSA-N 478.313 5.992 50 10 JKGE COc1cc(C=C(C#N)c2nc(-c3ccc([N+](=O)[O-])cc3)cs2)ccc1OCCc1ccccc1 2331432574 KJSBVLHNTLDNCW-UHFFFAOYSA-N 483.549 6.413 50 10 JKGE CCCOc1ccc(-c2csc(C(C#N)=Cc3ccc(OCc4ccccc4)c(OCC)c3)n2)cc1 2331445266 BOGVOVPFMOVWBE-UHFFFAOYSA-N 496.632 7.641 50 10 JKGE COc1c(Br)cc(C)c([C@@H](Br)[C@@H]2[C@H]3CCC[C@H]32)c1Br 2339656768 QUPIHYYRECGBHD-FIDNZITISA-N 453.012 6.011 50 10 JKGE COc1c(Br)cc(C)c([C@@H](Br)[C@@H]2C[C@@H]2C(F)F)c1Br 2339656908 SEGJMESDQHOYFZ-FWWHASMVSA-N 462.954 5.866 50 10 JKGE Cc1ccc(OCc2cc(I)ccc2Br)c(CCl)n1 2341780579 UGXUBLPMFGUVFM-UHFFFAOYSA-N 452.517 5.075 50 10 JKGE CCC1(CC)[C@@H](OCc2cc(I)ccc2Cl)C[C@H]1Br 2352246160 HVTVDKFOKQNQLT-KGLIPLIRSA-N 457.577 5.803 50 10 JKGE CCC1CCC(CBr)(OCc2c(Br)cccc2Br)CC1 2366144816 JTTRFWXKJNLKNE-UHFFFAOYSA-N 469.055 6.462 50 10 JKGE Cc1cc(CBr)cc(C)c1OCc1ccc(Cl)cc1I 2366729161 IZFFKJAWDJVHSI-UHFFFAOYSA-N 465.556 6.035 50 10 JKGE O=C(c1scc(Br)c1Br)N1CCC[C@H](Cl)[C@@H]1C(F)(F)F 2370265124 AQEOZBYKTSJVIH-IMTBSYHQSA-N 455.521 5.047 50 10 JKGE CC(C)(C)OC(=O)N[C@@H]1CN(C[C@]2(CBr)CC2(F)F)C2(CCCCCC2)C1 2379983269 CTHVDLAVDGZHMW-MAUKXSAKSA-N 451.396 5.099 50 10 JKGE Cc1cc(OCC(=O)NNC(=O)c2sc3ccccc3c2Cl)c(C(C)C)cc1Br 12490285 NLXYCBYDFQRAAS-UHFFFAOYSA-N 495.826 5.589 50 10 JKGE Cc1ccc2nc(/C(C#N)=C\c3cccc(Oc4ccc(C(F)(F)F)cc4[N+](=O)[O-])c3)[nH]c2c1 33400731 NDQGOGICSBXTBV-YBEGLDIGSA-N 464.403 6.655 50 10 JKGE CCCCOc1cccc(-c2nn(-c3ccccc3)cc2/C=C(\C#N)C(=O)NC2CCCCC2)c1 35446785 JSNQLXGWDPZKPD-PTGBLXJZSA-N 468.601 6.074 50 10 JKGE CCOc1ccccc1[C@H]1C(C#N)=C(N)Oc2cc(OC(=O)COc3ccc(Cl)c(C)c3)ccc21 38650527 PCCKGKOHCHUXHN-AREMUKBSSA-N 490.943 5.250 50 10 JKGE N#CC1=C(N)Oc2cc(OC(=O)c3ccccc3Br)ccc2[C@@H]1c1cccc(F)c1 38677777 XNSGFJMKRSPHIP-NRFANRHFSA-N 465.278 5.026 50 10 JKGE CCCCCOc1cccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4ccccc4C)ccc32)c1 38684758 SIWYQWQICLJFEJ-HHHXNRCGSA-N 468.553 6.001 50 10 JKGE COc1ccc(/C=C/C(=O)Oc2ccc(/C=C(\C#N)c3nc(-c4ccc(F)cc4)cs3)cc2)cc1 39868066 WOKFXSCSQGDHFH-XYRWWDFDSA-N 482.536 6.641 50 10 JKGE Cc1ccc(Oc2nc3ccccn3c(=O)c2/C=C(\C#N)C(=O)Nc2ccc(C)c(C)c2)c(C)c1 39993134 BACPTFHJDYJIPU-RCCKNPSSSA-N 464.525 5.266 50 10 JKGE Cc1cccc(C(=O)N/N=C2\CCCc3oc(C(=O)Nc4cccc(Cl)c4Cl)c(C)c32)c1 40811375 PENPNEJJNUHMSX-OGLMXYFKSA-N 470.356 5.926 50 10 JKGE Cc1c(C(=O)Nc2ccc(F)cc2F)oc2c1/C(=N/NC(=O)c1cccc3ccccc13)CCC2 40813628 OBMDIHHBAUYHEZ-DFKUXCBWSA-N 473.479 5.742 50 10 JKGE Cc1c(C(=O)NC2CCCCC2)oc2c1/C(=N/NC(=O)C(c1ccccc1)c1ccccc1)CCC2 40815491 BITBDTCCIRYNDT-FEZSWGLMSA-N 483.612 5.639 50 10 JKGE CCOc1ccc([C@H](O)CCC(=O)N/N=C\c2cc(Cl)c(OCc3ccccc3)c(OC)c2)cc1 58894063 BJCCMJVFPAAIFZ-WRIMGEDOSA-N 496.991 5.290 50 10 JKGE O=C(N/N=C(/CSc1nc2ccccc2s1)c1ccc(Br)cc1)c1ccccc1O 59460773 AJWMMMFPBSCLKL-BWAHOGKJSA-N 498.427 5.691 50 10 JKGE N#C/C(=C/c1cc(Cl)ccc1OCc1cccc(C(F)(F)F)c1)C(=O)NCc1cccnc1 96438682 GGXBFRDPSRPBCZ-GRSHGNNSSA-N 471.866 5.556 50 10 JKGE C[C@@H]1CCC[C@H](NC(=O)[C@@H](c2ccc(F)cc2)N(Cc2cccs2)C(=O)CCl)[C@@H]1C 97914551 QMKGVXLWWQBNPZ-QLQCFAGPSA-N 451.007 5.137 50 10 JKGE C(#Cc1ccccc1N=P(c1ccccc1)(c1ccccc1)c1ccccc1)c1ccccc1 100212174 GPEJIXUHIJLIMN-UHFFFAOYSA-N 453.525 6.896 50 10 JKGE Cc1ccc(N2C(=O)[C@@H](Cc3ccccc3F)S/C2=C(/C#N)C(=O)NCc2ccccc2)cc1C 101241328 CTBOCPJGYIJABN-RAMZYJDASA-N 485.584 5.185 50 10 JKGE CNC(=O)c1c(NC(=O)/C(C#N)=C\c2c(-c3ccccc3)nc3c(C)cccn23)sc2c1CCCC2 102998674 PLLKNCSEHLIBJR-CYVLTUHYSA-N 495.608 5.155 50 10 JKGE Cc1ccc(N/C(SCc2c(F)cccc2Cl)=C(\C#N)S(=O)(=O)c2ccccc2)c(C)c1 104689012 QXGGTZJSNAXUBO-VHXPQNKSSA-N 487.021 6.608 50 10 JKGE COc1cc(Br)c([C@@H](Br)c2ccc(F)cc2Br)cc1OC 109860368 ABVYTNFOMZOVBM-HNNXBMFYSA-N 482.969 5.852 50 10 JKGE CCOc1ccc([C@@H](Br)Cc2cccc(Br)c2)c(Br)c1 123758063 IZQYMHPMHRXDBG-HNNXBMFYSA-N 463.007 6.289 50 10 JKGE COc1cc(Br)ccc1[C@H](Cl)c1cc(Br)ccc1Br 135306903 ILKDWTOWSGQYGC-AWEZNQCLSA-N 469.398 6.311 50 10 JKGE Cl[C@H](c1ccc2cc(Br)ccc2c1)c1cc(Br)sc1Br 159672597 RUQKMHSWOMDCPV-CQSZACIVSA-N 495.461 7.517 50 10 JKGE COc1cc(Br)ccc1[C@H](Br)c1cc(F)c(Br)cc1F 160783551 NCYVIOUPQATERT-AWEZNQCLSA-N 470.933 5.983 50 10 JKGE CCOC(=O)c1c(NC(=O)/C(C#N)=C\c2cccc3ccccc23)sc2c1CC[C@H](CC)C2 209407807 YQGDUMLWVJPVNP-SWEXZPIWSA-N 458.583 6.139 50 10 JKGE CCOc1ccc(-c2nn(-c3ccccc3)cc2/C=C2\C(=O)N(CC(C)C)C(=O)C(C#N)=C2C)cc1F 214271319 ZOBSORHEOKQPFJ-QRVIBDJDSA-N 498.558 5.325 50 10 JKGE CCCCCCCOc1ccc(/C=C2\C(=O)N(CC(C)C)C(=O)C(C#N)=C2C)cc1OCC 214274902 ABNVZYFGXPKALT-JCMHNJIXSA-N 452.595 5.683 50 10 JKGE CCCOc1ccc(C(c2ccc(OCCC)cc2)C(Br)Br)cc1 221247978 WDAJGRYPHUPBPW-UHFFFAOYSA-N 456.218 6.512 50 10 JKGE Clc1ccc(C[C@H](Br)c2ccc(Br)cc2Br)cc1Cl 236047331 FBWYAFAWRJZDSU-NSHDSACASA-N 487.844 7.197 50 10 JKGE CC(=NNC(=O)c1sc2cc([N+](=O)[O-])ccc2c1Cl)c1ccc(NC(=O)c2ccoc2C)cc1 252607365 HBKUPGGVZWTOLU-UHFFFAOYSA-N 496.932 5.771 50 10 JKGE COc1ccc(C=NNC(=O)c2csc3ccccc23)cc1COc1ccc(Cl)cc1 252634265 WMDMLUXWGNHDNQ-UHFFFAOYSA-N 450.947 5.906 50 10 JKGE COc1ccc(C=NNC(=O)c2cc3ccc4ccccc4c3[nH]2)cc1COc1ccccc1F 254309308 QYYGZJYHUWSIBK-UHFFFAOYSA-N 467.500 5.812 50 10 JKGE Cn1ncc([C@@H](Br)c2ccc(Br)c3ccccc23)c1Br 379140936 ARPNDVPFCCDOBO-AWEZNQCLSA-N 458.979 5.583 50 10 JKGE C[C@H](CCn1c(CCl)nc2cc(I)ccc21)N(C)Cc1ccccc1 379612814 VMWOHHKLVPXHMR-OAHLLOKOSA-N 467.782 5.290 50 10 JKGE O=C(OCc1ccccc1)N1C[C@@H](CI)[C@@H](c2ccc(F)cc2Cl)C1 382686163 FVXPEDWPTAPFQC-PBHICJAKSA-N 473.713 5.266 50 10 JKGE Fc1ccc([C@H]2CN(Cc3ccccc3)C[C@H]2CI)c(Br)c1 382697591 BJYBCFZEAVPIGS-PBHICJAKSA-N 474.155 5.239 50 10 JKGE CN(C(=O)OC(C)(C)C)c1ccc([C@@H]2CCN(CCO[Si](C)(C)C(C)(C)C)CCO2)cc1 616665775 WRQLWVIEIZOKKK-QFIPXVFZSA-N 464.723 5.843 50 10 JKGE CC(C)(C)OC(=O)N1c2ccccc2CC[C@H]1c1cccc(CCO[Si](C)(C)C(C)(C)C)c1 616668483 WBGRCQCVZZKHSJ-VWLOTQADSA-N 467.726 7.680 50 10 JKGE Clc1cc([C@H](Br)c2occc2Br)c(Cl)c(Cl)c1Cl 696536049 FNOVJZJWJZTQMT-ZETCQYMHSA-N 453.772 7.140 50 10 JKGE FC(F)c1cscc1[C@@H](Br)c1cc(Br)c(Br)s1 717191856 GOHHHCSOEZEAGL-MRVPVSSYSA-N 466.992 6.757 50 10 JKGE COCc1cc(Br)c([C@H](Br)c2csc(C(F)(F)F)c2)s1 718784420 CHVPUAYRBZZSPF-SNVBAGLBSA-N 450.139 6.222 50 10 JKGE O=C(NCc1ccccc1)[C@H](c1cccs1)N(C(=O)CCl)c1cccc(C(F)(F)F)c1 725237335 DMDBZMAIQGNBBB-FQEVSTJZSA-N 466.912 5.396 50 10 JKGE O=C(N[C@H]1CCc2ccccc21)[C@H](c1cccs1)N(C(=O)CCl)c1cccc(C(F)(F)F)c1 725238691 WJALURBIZZAUQT-UGKGYDQZSA-N 492.950 5.884 50 10 JKGE COc1cc(/C=C(\C#N)C(=O)Nc2ccc(Cl)cc2)ccc1OCc1ccc(Cl)cc1Cl 1083967885 YGIJCYTZNJTTEF-LICLKQGHSA-N 487.770 6.780 50 10 JKGE COc1cc(C=NNC(=O)c2cc3ccccc3o2)cc(Br)c1OCc1cccc(F)c1 1084544355 SHZYWNKHIYSQAN-UHFFFAOYSA-N 497.320 5.686 50 10 JKGE CCN(CC)c1ccc([C@@H]2CN(C(=O)OCc3ccccc3)C[C@H]2CI)cc1 1614704799 XDCMJHXIPCNOMJ-IRLDBZIGSA-N 492.401 5.320 50 10 JKGE Cc1c(C(=O)Nc2cc(Cl)cc(Cl)c2)oc2c1C(=NNC(=O)c1cccc(Cl)c1)CCC2 1772745744 FZJNKQUSMJPDMM-UHFFFAOYSA-N 490.774 6.271 50 10 JKGE CCOc1cc([C@@H]2C(C#N)=C(N)Oc3c2c(C(F)(F)F)nn3-c2cccc3ccccc23)ccc1O 1865681241 IMSLTTRPDTXSCE-OAQYLSRUSA-N 492.457 5.367 50 10 JKGE N#CC1=C(N)Oc2c(c(-c3ccccc3)nn2-c2ccccc2Cl)[C@H]1c1cccc(Cl)c1 1865684356 XISQWMHXLPZQCG-NRFANRHFSA-N 459.336 6.064 50 10 JKGE COc1ccc(-c2nn(-c3ccccc3)c3c2[C@H](c2cccc(Br)c2)C(C#N)=C(N)O3)cc1 1865684686 VVHJOZWUWFFQHX-JOCHJYFZSA-N 499.368 5.529 50 10 JKGE COc1ccc(-c2nn(Cc3cccc(Cl)c3)c3c2[C@@H](c2ccc(C)cc2)C(C#N)=C(N)O3)cc1 1865686740 ZGWNZDXEYRCYKO-DEOSSOPVSA-N 482.971 5.787 50 10 JKGE CCCCCOc1ccc([C@H]2C(C#N)=C(N)Oc3c2c(CCC)nn3Cc2ccc(F)cc2)cc1 1865689481 ALTPEYIRMWEXMN-VWLOTQADSA-N 474.580 5.810 50 10 JKGE CCOc1ccc([C@H]2C(C#N)=C(N)Oc3c2c(-c2ccccc2)nn3Cc2ccc(F)cc2)cc1OC 1865695270 NBDGMBQUJNAWSC-VWLOTQADSA-N 496.542 5.363 50 10 JKGE CCOc1ccc([C@@H]2C(C#N)=C(N)Oc3c2c(C)nn3Cc2ccc(Cl)c(Cl)c2)cc1OC 1865695797 UAIGOFCCVKCVBC-JOCHJYFZSA-N 485.371 5.172 50 10 JKGE CCn1nc(C(F)(F)F)c2c1OC(N)=C(C#N)[C@@H]2c1ccc(OCc2ccccc2C)cc1 1865702838 GJUWQFCILXJROC-IBGZPJMESA-N 454.452 5.027 50 10 JKGE C[C@@H](CC(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)Nc1ccc(SC#N)cc1)c1cccc(Cl)c1 1867173311 BVVBFSAZXCPERF-XDHUDOTRSA-N 494.016 5.479 50 10 JKGE COc1ccc([C@@H]2CN(c3cc(Nc4ccc(SC#N)cc4)nc(C(C)C)n3)CCS2)cc1 1868231708 PGKSDMSQRDLGNI-QFIPXVFZSA-N 477.659 6.220 50 10 JKGE CCOc1cc(/C=C(\C#N)c2cc3c(cc2[N+](=O)[O-])OCCO3)ccc1OCc1ccccc1C 1872728576 KCCSYQFZNQKSDR-CIAFOILYSA-N 472.497 5.716 50 10 JKGE CC[C@@H](C)[C@@H](/C(O)=C(\C#N)c1nc(-c2ccc(C)cc2)cs1)N1C(=O)c2ccccc2C1=O 1872749207 HBHFFEWINYRNCN-HKVWVMEWSA-N 457.555 5.622 50 10 JKGE CCCOc1ccc(-c2csc(/C(C#N)=C(\O)CCCOc3ccc(Cl)cc3Cl)n2)cc1 1872750141 YPNAIDDSCWQHTM-QOCHGBHMSA-N 489.424 7.558 50 10 JKGE Cc1ccc(C(C)(C)C)cc1-c1csc(/C(C#N)=C(\O)[C@H](C)Oc2ccc(Cl)cc2Cl)n1 1872755829 IGLGUCIUBAEGIM-BXPXOOBPSA-N 487.452 7.983 50 10 JKGE COc1cc(C)c(-c2csc(/C(C#N)=C(\O)[C@@H]3CC(=O)N([C@H](C)c4ccccc4)C3)n2)cc1C 1872758317 UXLIGRFEVZQHJD-WCIAPHRUSA-N 473.598 5.838 50 10 JKGE COc1cc(/C(O)=C(\C#N)c2nc(-c3cc(Cl)ccc3Cl)cs2)c([N+](=O)[O-])cc1OC 1872758479 BYKSVUSBSGEJOY-UYRXBGFRSA-N 478.313 5.992 50 10 JKGE CCCCCCOc1ccc(/C=C(\C#N)c2nc(-c3ccc(OC)c(F)c3)cs2)cc1OC 1872792353 UFKCSUSBKNITDI-DEDYPNTBSA-N 466.578 6.990 50 10 JKGE CCCCCc1ccc([C@H](Br)c2cc(Br)c(Br)s2)s1 1889032705 GNSYNROBZQXUFC-ZDUSSCGKSA-N 487.120 7.552 50 10 JKGE C[C@@H](Br)CN(Cc1ccccc1)Cc1ccc(I)c(Cl)c1 1907284920 IENAMJUMNUZRDF-CYBMUJFWSA-N 478.599 5.730 50 10 JKGE O=S(=O)(c1c(Cl)cccc1Br)N(Cc1ccccc1)C1(CCl)CCC1 1915762945 TXXVWBMCEBNHQM-UHFFFAOYSA-N 463.224 5.455 50 10 JKGE Cc1c(Br)sc([C@H](Cl)c2cc3c(s2)CCCCC3)c1Br 1922896479 FSOWGRWWSQXYGD-CYBMUJFWSA-N 454.680 7.240 50 10 JKGE COc1cc(Br)ccc1[C@@H](Cl)c1sc(Br)c(C)c1Br 1922896971 JTSXCBWWPXBMPB-LLVKDONJSA-N 489.454 6.681 50 10 JKGE Clc1cccc(C[C@@H](Br)c2sc(Br)cc2Br)c1 1922934171 CWGHGICKRZXIJE-SECBINFHSA-N 459.428 6.605 50 10 JKGE Fc1ccc([C@H](Cl)c2c(Br)sc(Br)c2Cl)cc1Br 1923037904 GLUVCEUVRDOKTQ-QMMMGPOBSA-N 497.836 7.156 50 10 JKGE C[C@@H](C1CCC1)[C@@H](Br)c1c(Br)sc(Br)c1Cl 1923038714 KDEFXLAKRWPPHU-YLWLKBPMSA-N 451.449 6.799 50 10 JKGE CC1(C)CCCO[C@H]1COc1c(Br)cc(CBr)cc1Br 1923820820 IFEMWDZRCKCSMX-ZDUSSCGKSA-N 471.027 5.691 50 10 JKGE C[C@@H](c1ccncc1Br)[C@@H](Br)c1cc(F)ccc1Br 1924040165 NZMYJOVSGWMRSD-RMLUDKJBSA-N 451.959 5.985 50 10 JKGE FC(F)(F)C1([C@H](Cl)c2c(Br)sc(Br)c2Br)CCC1 1924615045 VOZNYZKGFBCWGM-ZCFIWIBFSA-N 491.392 7.048 50 10 JKGE FC1(F)C[C@@H]1[C@H](Br)c1c(Br)sc(Br)c1Br 1924617138 YFXFBNMDZHYFQG-FONMRSAGSA-N 489.799 6.127 50 10 JKGE Cc1cc([C@H](Cl)c2sc(Br)cc2Br)c(Br)s1 1939961934 CXFAWOBKGQQRRY-QMMMGPOBSA-N 465.457 6.734 50 10 JKGE Clc1cc(Br)c([C@@H](Br)c2cc(Br)cs2)s1 1961677955 KNVBXOOYSIMMEL-QMMMGPOBSA-N 451.430 6.472 50 10 JKGE C[C@@]1(CCOCc2ccccc2)CCN1c1cc(Br)ccc1CBr 2020890140 DWBIXPIHNUKYSZ-FQEVSTJZSA-N 453.218 5.920 50 10 JKGE CCCc1ccc([C@@H](Cl)c2cc(Br)ccc2I)s1 2027134805 CFBUPNYLEIHLHT-AWEZNQCLSA-N 455.586 6.396 50 10 JKGE CC(C)(COc1c(Br)cc(CBr)cc1Br)C(F)F 2028650576 DNXYUBJNGWJKLN-UHFFFAOYSA-N 450.943 5.777 50 10 JKGE COc1cc(C=C(C#N)c2nc3ccccc3n2C)ccc1OCc1ccc(Cl)cc1Cl 2040446437 HHFLLEIQCQXXRX-UHFFFAOYSA-N 464.352 6.532 50 10 JKGE CCCC(CBr)(CCC)CN1CC2(CC(NC(=O)OCc3ccccc3)C2)C1 2044706153 RBKPURUNRBUBFM-UHFFFAOYSA-N 451.449 5.359 50 10 JKGE COc1cc(F)c([C@@H](Br)c2cscc2OCc2ccccc2)cc1Br 2082783626 UHIROGVZKAJHLJ-LJQANCHMSA-N 486.200 6.722 50 10 JKGE Cl[C@@H](c1cc(Br)ccc1I)c1ncn2ccsc12 2083989708 GIMGIBVINXBNMN-JTQLQIEISA-N 453.530 5.091 50 10 JKGE BrCc1ccc(N2CC[C@H]3CCN(Cc4ccccc4)C[C@H]3C2)c(Br)c1 2092523597 JEGWOIMSPUBGIE-UXHICEINSA-N 478.272 5.692 50 10 JKGE CC(C)Cc1ccc([C@@H](Br)c2csc(Br)c2Br)cc1 2093941883 DZWWEEZVRVICGB-CYBMUJFWSA-N 467.064 6.956 50 10 JKGE Brc1scc([C@@H](Br)c2ccc3c(c2)OCCO3)c1Br 2093942232 NLBCZCMDYLQXKX-NSHDSACASA-N 468.992 5.529 50 10 JKGE C[C@@H]1Cc2cc([C@@H](Br)c3csc(Br)c3Br)ccc2O1 2093942469 SSFDJSRBEWJAIR-JMCQJSRRSA-N 467.020 6.081 50 10 JKGE Clc1c(Br)cccc1CC[C@H](Br)c1ccccc1Br 2113449805 ODYKLPMUWRMPEG-ZDUSSCGKSA-N 467.426 6.934 50 10 JKGE Brc1ccc(C[C@H]2C[C@@H](Br)CC3(CCC3)C2)c(Br)c1 2127178022 OPXPOFZUTKBXRT-SMDDNHRTSA-N 451.040 6.488 50 10 JKGE Clc1cc(CN2CCCC[C@H]2CCCBr)ccc1I 2142943610 NLGPJBGAROEPTL-ZDUSSCGKSA-N 456.593 5.474 50 10 JKGE O=C(Nc1cccc(CCBr)c1)c1c(Br)cccc1Br 2150493530 LZOZBRISEYTLIK-UHFFFAOYSA-N 461.979 5.401 50 10 JKGE CC(C)(F)[C@](C)(F)CC(CBr)(CBr)c1ccccc1Br 2168968725 GQARVRBRDYAERS-CQSZACIVSA-N 477.025 6.343 50 10 JKGE C[C@H](Cl)c1nc2cc(Cl)c(Br)cc2n1CC[C@H](C)N(C)Cc1ccccc1 2169011018 ODERKUXHYQRHOS-GJZGRUSLSA-N 469.254 6.663 50 10 JKGE CN([C@@H]1CC[C@@H]1OCc1ccccc1)S(=O)(=O)c1ccc(Cl)c(CBr)c1Cl 2179834275 ZFUVOICADJAEHD-SJORKVTESA-N 493.250 5.257 50 10 JKGE COc1ccc(S(=O)(=O)N(Cc2ccccc2)Cc2cccs2)cc1CBr 2179860716 WKWTXMZIRIRMCE-UHFFFAOYSA-N 466.422 5.043 50 10 JKGE Clc1cc(Br)cnc1C[C@H](CBr)Cc1ccccc1Br 2183591122 UCUQGMVIEWWMMK-SNVBAGLBSA-N 482.441 6.056 50 10 JKGE CC1(C)CCCN(C(=O)c2cc(Br)ccc2Br)[C@@H]1CBr 2185809300 ZBCFTTBKDMLNIO-CYBMUJFWSA-N 468.027 5.237 50 10 JKGE Cc1cc(Br)c(C)c([C@@H](Br)C23CC(C)(C2)O[C@@H]3C)c1Br 2201071370 IDGHADKUHONXDJ-SFWZDCPZSA-N 467.039 6.222 50 10 JKGE COc1cc(F)c([C@H](Cl)c2cc(Cl)ccc2I)cc1Br 2202902644 SYPNUOSEBISINS-AWEZNQCLSA-N 489.937 6.183 50 10 JKGE COc1c(Br)cc(C)cc1[C@H](Br)c1c(Br)sc(C)c1C 2203840344 ADLRGISBKVOBCL-ZDUSSCGKSA-N 483.063 6.691 50 10 JKGE CCC[C@H]1CN(C(=O)c2c(Br)cccc2Br)C[C@@H]1CBr 2205683357 NJLDUGJHAKUGSN-QWRGUYRKSA-N 468.027 5.095 50 10 JKGE COc1c(C)cc(Br)cc1[C@H](Cl)c1cc(Br)ccc1Br 2206586601 LJNVIDXZAZBHOQ-CQSZACIVSA-N 483.425 6.619 50 10 JKGE CC(C)(C)OC1CC(C[C@@H](Br)c2cc(Br)sc2Br)C1 2224727701 SCSHGLYLWOWQQU-NWGYLPEXSA-N 475.084 6.693 50 10 JKGE Fc1cc(Br)c(Br)cc1[C@H](Br)C[C@@H]1CCC[C@@H]2C[C@H]12 2225619992 PMBUCYILNOOUPM-FYLLDIAZSA-N 455.003 6.613 50 10 JKGE Cc1nc([C@@H](Cl)c2c(Br)cc(C)c(Br)c2C)c(Br)s1 2227352203 OZRTUBXTSDMZCM-NSHDSACASA-N 488.470 6.684 50 10 JKGE CC[C@@H](CC(C)C)[C@@H](Br)c1c(Br)cc(C)c(Br)c1C 2227356815 SQTILSHOFHIGOG-BLLLJJGKSA-N 455.072 7.337 50 10 JKGE C[C@H](Cl)c1nc2c(F)cc(Br)cc2n1C[C@@H]1CCCN1Cc1ccccc1 2232917191 YPBQZUUUGMZVHG-YOEHRIQHSA-N 450.783 5.902 50 10 JKGE CCCCCCc1ccc([C@H](Cl)c2csc(Br)c2Br)s1 2234126411 LLHLGSASRJJLRI-CQSZACIVSA-N 456.696 7.786 50 10 JKGE Cc1sc([C@@H](Cl)c2cc(Cl)c(Cl)c(Cl)c2Cl)c(C)c1Br 2234462882 BMGCDHDWWRYVTE-JTQLQIEISA-N 453.443 8.069 50 10 JKGE Cc1cc(Br)c([C@@H](Br)[C@@]23CCC[C@@H](C2)OC3)c(C)c1Br 2235609191 WZKIXJPCLNLHKI-XZJROXQQSA-N 467.039 6.224 50 10 JKGE CCn1cc(Br)c([C@H](Br)c2cc(C)c(OC)cc2Br)n1 2236020456 LXPWMTYLAJQMBC-CYBMUJFWSA-N 466.999 5.229 50 10 JKGE Fc1ccc([C@@H](Br)c2scc(Br)c2Cl)cc1Br 2246467984 ZERNJNCRRHBXOP-SECBINFHSA-N 463.391 6.550 50 10 JKGE FC(F)(F)c1ccc([C@@H](Br)c2cc(Br)c(Br)s2)s1 2263327954 KDGXVOYESKAZEG-MRVPVSSYSA-N 484.982 6.838 50 10 JKGE CC1([C@H](Cl)c2c(Br)sc(Br)c2Cl)CC(C(F)(F)F)C1 2264522448 ACGGNUNEXVSXEI-POUYQYJTSA-N 460.968 7.185 50 10 JKGE Fc1cc([C@H](Br)Cc2ncccc2Br)c(Cl)cc1Br 2267763245 LAWNDLRLOBGYTB-SECBINFHSA-N 472.377 6.078 50 10 JKGE COC[C@]1(C)C[C@@H]1[C@H](Br)c1c(Br)cc(C)c(Br)c1C 2269279987 LZDHXGVJXBDJEX-ONERCXAPSA-N 455.028 5.937 50 10 JKGE Clc1ccc(I)cc1O[C@@H]1C[C@@H](Br)C12CCCCC2 2272639371 OZZLSCSIOKNCHI-ZIAGYGMSSA-N 455.561 5.810 50 10 JKGE Fc1cc(Br)c(F)c(Br)c1[C@H](Cl)c1cccc(Br)c1 2272853985 MXIWLZYHJIFGLY-GFCCVEGCSA-N 475.352 6.581 50 10 JKGE FC(F)(F)c1ccc([C@@H](Br)c2cc(Br)ccc2Br)s1 2277875917 OJLZPMYDYWVCGT-NSHDSACASA-N 478.953 6.776 50 10 JKGE Cc1cc(Br)c([C@H](Br)c2sc(C)c(C)c2Br)c(C)c1F 2279148774 IYQSZOPHLFTQHR-ZDUSSCGKSA-N 485.054 7.130 50 10 JKGE COc1ccc([C@H](Cl)c2cc(F)c(Br)cc2Cl)cc1I 2285007102 HQEADQFGXPQTMA-AWEZNQCLSA-N 489.937 6.183 50 10 JKGE BrCC(CBr)(CCc1ccccc1)Cc1cscc1Br 2286719909 WENQCULWBJPNLW-UHFFFAOYSA-N 481.091 6.462 50 10 JKGE Fc1cc(Br)c(F)c(Br)c1[C@H](Br)[C@@H]1C[C@H]1C1CCCC1 2288349964 VQWLMMWMLLIAPZ-IGJMFERPSA-N 472.993 6.752 50 10 JKGE N#CC(=Cc1ccc(OCc2ccccc2)cc1)C(=O)Nc1ncc(Cc2ccccc2)s1 2293039012 SYPRDCSFVDNCIS-UHFFFAOYSA-N 451.551 5.859 50 10 JKGE N#CC(=Cc1ccc(-c2ccccc2Cl)o1)C(=O)Nc1ncc(Cc2ccc(Cl)cc2)s1 2293039047 YHCUCOJYVPOSLO-UHFFFAOYSA-N 480.376 6.846 50 10 JKGE Cc1ccc(NC(=O)C(C#N)=Cc2cc(Cl)ccc2OCc2ccc(C(=O)O)cc2)c(C)c1 2293531966 HKGLAOFLWYXKIA-UHFFFAOYSA-N 460.917 5.780 50 10 JKGE CCOc1cc(C=C(C#N)C(=O)Nc2cc(Cl)ccc2Cl)cc(Br)c1OC 2293665224 GSXVHTFVEOYSKJ-UHFFFAOYSA-N 470.150 5.709 50 10 JKGE COc1ccc(C(=O)Oc2cc(C=C(C#N)C(=O)Nc3ccccc3C(F)(F)F)ccc2OC)cc1 2295459665 LGZRUCOYLJJFBO-UHFFFAOYSA-N 496.441 5.487 50 10 JKGE COc1ccc(-c2csc(C(C#N)=CNc3ccccc3OC(F)(F)[C@H](F)Cl)n2)cc1 2295934447 ZRHUUWYVJSZNHF-FQEVSTJZSA-N 465.884 6.301 50 10 JKGE CCOc1ccc(C=C2CCC[C@@H]3C2=NN(C(=O)CCl)[C@H]3c2ccc(OCC)cc2)cc1 2296809639 KOZISSCPCOFRQW-BVAGGSTKSA-N 452.982 5.846 50 10 JKGE COc1csc([C@H](Br)c2cc(Br)ccc2OCc2ccccc2)c1 2299500411 FNESSTHXZYIGCW-LJQANCHMSA-N 468.210 6.583 50 10 JKGE Brc1cc(OCc2ccccc2)ccc1[C@H](Br)C[C@@H]1CC[C@@H]2C[C@H]12 2299505115 TWTQZOFXOCEWGN-GIYDNNGJSA-N 450.214 6.900 50 10 JKGE Cc1sc(Br)cc1[C@@H](Cl)c1ccc(OCc2ccccc2)cc1Br 2299508092 IDSONUCKLDMUQP-IBGZPJMESA-N 486.656 7.489 50 10 JKGE Cc1sc([C@@H](Br)c2csc(C)c2Br)c(Br)c1C 2303644068 NISJNYDSDWEMPK-NSHDSACASA-N 459.066 6.744 50 10 JKGE CC(C)=CCCC(C)=CC=NNC(=O)c1cc(C(=O)NN=CC=C(C)CCC=C(C)C)c(C)nc1C 2314436794 GBIYZCKJMTUOKB-UHFFFAOYSA-N 491.680 6.515 50 10 JKGE Cc1ccc(Oc2nc3ccccn3c(=O)c2C=C(C#N)C(=O)Nc2cccc(Cl)c2)c(C)c1 2314533349 QJLONPLXDCSPAL-UHFFFAOYSA-N 470.916 5.303 50 10 JKGE N#CC1=C(N)Oc2cc(OC(=O)C=Cc3ccccc3Cl)ccc2[C@H]1c1ccc(Cl)cc1Cl 2314634160 UOPXTUXCRLNCLH-XMMPIXPASA-N 497.765 6.484 50 10 JKGE CCOc1ccc(OCC(=O)Oc2ccc(C=C(C#N)c3ccc(OC)cc3)cc2OC)cc1 2320506379 IHCPLUQVDPYJSK-UHFFFAOYSA-N 459.498 5.151 50 10 JKGE COc1ccc(-c2csc(C(C#N)=C(O)CNC(=O)c3ccc(Cl)cc3Cl)n2)cc1C 2331259180 WAMNLGCZBUOTCZ-UHFFFAOYSA-N 474.369 5.657 50 10 JKGE COc1ccc(-c2csc(C(C#N)=C(O)C=Cc3ccc(OCc4ccccc4)cc3)n2)c(C)c1C 2331362156 CSKQJPLZQGPYJY-UHFFFAOYSA-N 494.616 7.521 50 10 JKGE COc1ccc(-c2csc(C(C#N)=C(O)[C@@H]3CC(=O)N([C@@H](C)c4ccccc4)C3)n2)c(OC)c1 2331385482 HQBYIROUSBKQDD-FUHWJXTLSA-N 475.570 5.230 50 10 JKGE Cc1cc(C)c(-c2csc(C(C#N)=C(O)[C@H]3CC(=O)N([C@H](C)c4ccccc4)C3)n2)c(C)c1 2331393871 CIVQHXGATFAPFS-CTNGQTDRSA-N 457.599 6.138 50 10 JKGE COc1cc(C=C(C#N)c2nc(-c3ccc(C)cc3)cs2)ccc1OCc1ccc(Cl)cc1 2331444069 IBIAFBYYBGLTFD-UHFFFAOYSA-N 472.997 7.424 50 10 JKGE Brc1cc(OCc2ccccc2)ccc1[C@H](Br)[C@H]1Cc2ccccc2O1 2336052289 ZQMIOERTTJWBEJ-YADHBBJMSA-N 474.192 6.468 50 10 JKGE CC1(C)C[C@H]([C@H](Br)c2ccc(OCc3ccccc3)cc2Br)C(C)(C)O1 2336053466 JSVDLKRESKPWQL-UYAOXDASSA-N 482.256 7.058 50 10 JKGE Brc1ccc(OCc2ccccc2)c([C@H](Br)[C@@]23CCCC[C@@H]2OCC3)c1 2336080514 ZOSJBUHDXBPVDL-FDFHNCONSA-N 480.240 6.813 50 10 JKGE C[C@@H]1CCC[C@H]([C@H](Br)c2c(Cl)cc(Br)c(F)c2Br)O1 2337087673 BPWMKIDFRRUIRR-CGYDSVCVSA-N 479.409 6.398 50 10 JKGE CC1(C)C[C@](C)(CBr)CN1Cc1ccc(Cl)c(I)c1 2337217724 AKMQSVHPFJCWDH-OAHLLOKOSA-N 456.593 5.330 50 10 JKGE Cc1cc(Br)c(C)c([C@H](Cl)c2c(Br)ncn2C)c1Br 2337274923 OKTCEDJHAHLBEA-NSHDSACASA-N 471.418 5.653 50 10 JKGE FC(F)(F)[C@H]1OC2([C@@H](Br)c3sc(Cl)cc3I)CC1C2 2338768639 SELKJANHKWQKFZ-WRQNXOQJSA-N 487.506 5.552 50 10 JKGE C=CCC(CBr)(CBr)Cc1c(OC)ncc(Br)c1C 2342381361 FQGLAQKDEQABAH-UHFFFAOYSA-N 456.016 5.056 50 10 JKGE C[C@@](CBr)(Cc1cc(I)ccc1Cl)C1CCCCC1 2352418528 XBSLDTWBCQCBPT-INIZCTEOSA-N 455.605 6.469 50 10 JKGE COCc1csc([C@@H](Br)c2c(F)cc(Cl)c(Br)c2Cl)c1 2360497013 LWIYKBMNWWBFSQ-GFCCVEGCSA-N 462.993 6.587 50 10 JKGE CO[C@]1(C(F)(F)F)C[C@H]([C@H](Cl)c2ccc(OCc3ccccc3)cc2Br)C1 2361173697 VCTUZFTUMNAJTM-ZOCIIQOWSA-N 463.721 6.666 50 10 JKGE BrC[C@]1(Cc2c(Br)cccc2Br)C[C@H]2C=C[C@H]1CCC2 2363971285 LMUVWJQCTASZHD-PBFPGSCMSA-N 463.051 6.512 50 10 JKGE Cc1cc(Br)c(F)c(Br)c1[C@H](Br)[C@H]1CC[C@@H]2C[C@H]1CO2 2365198459 ZURMQUKFYNYGSB-MPXOCVNLSA-N 471.002 5.910 50 10 JKGE CCN[C@@H](c1c(C)cc(Br)c(OC)c1Br)[C@H]1C[C@@H](Br)C1 2365215658 MJNRJBKVNKDHPG-ISTVAULSSA-N 470.043 5.353 50 10 JKGE Cc1cc(Br)c(F)c(Br)c1[C@@H](Br)[C@@H]1C[C@@H]2CC[C@H](C1)O2 2365226255 SFDYJYYZTAGCEA-WJZNIJOASA-N 471.002 6.053 50 10 JKGE BrCc1cc(Br)c(OCC[C@@H]2CC[C@@H]2C2CC2)c(Br)c1 2368450555 BYEWAGXEBVQQIX-QWHCGFSZSA-N 467.039 6.312 50 10 JKGE Cc1ccc(C[C@H]2S/C(=C(\C#N)C(=O)Nc3ccc(C)c(Cl)c3)N(c3ccccc3)C2=O)cc1 2284251 NMTFZGXZBINXSQ-VECHRTTRSA-N 488.012 6.022 50 10 JKGE CC(C)CCOc1ccc(C(=O)NNC(=O)c2ccc(Cl)cc2Cl)cc1Br 14645606 FWHYNCWUSMKDRZ-UHFFFAOYSA-N 474.182 5.256 50 10 JKGE O=C(CCCSc1nc2ccccc2s1)N/N=C/c1ccc(OCc2ccc(F)cc2)o1 20291504 NXQDDHNTRHZXEW-AFUMVMLFSA-N 469.563 5.630 50 10 JKGE Cc1ccccc1NC(=O)/C(C#N)=C\c1ccc(N2N=C(c3ccccc3)C[C@@H]2c2ccccc2)cc1 29492306 HPGFCBUJMNKRFB-MJCJZRFWSA-N 482.587 6.896 50 10 JKGE CCOc1ccc(/C=C/C(=O)Oc2ccc(/C=C(/C#N)c3ccccc3OC)cc2OC)cc1OC 31902003 YBMCVJDGVSQKTQ-GATDWBHXSA-N 485.536 5.794 50 10 JKGE COc1cc(/C=C(\C#N)c2nc3cc(C)ccc3[nH]2)c(Br)cc1OCc1ccccc1 33472745 XWCRIBLBVPVPQF-YBFXNURJSA-N 474.358 6.286 50 10 JKGE CCN(CC)c1ccc(/C=C2/CCC(/C=C(\C#N)c3nc4ccccc4[nH]3)=C2N2CCOCC2)cc1 34849216 BCBWLIFFWGSDQY-SFDFQISYSA-N 479.628 5.780 50 10 JKGE C[C@@]12CC[C@@H](C/C1=N\OC(=O)Cc1coc3ccc4ccccc4c13)[C@@]2(C)CBr 38297304 WNDKBCXFLGDUGC-RYFUBXQNSA-N 454.364 6.249 50 10 JKGE CCCCN1C(=O)C(C#N)=C(C)/C(=C\c2ccc(OCc3ccc(Cl)cc3Cl)cc2)C1=O 38603718 JZHXXSBUFDZMIC-CIAFOILYSA-N 469.368 5.965 50 10 JKGE CC(C)c1ccc(O[C@@H](C)C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@@H]3c2ccc(C(C)C)cc2)cc1 38649649 NCKGVZCXTSYYCB-AFJIDDCJSA-N 496.607 6.524 50 10 JKGE CC(C)(C)c1ccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)COc4ccccc4[N+](=O)[O-])ccc32)cc1 38649719 HDPDABALMMVYJI-AREMUKBSSA-N 499.523 5.095 50 10 JKGE N#CC1=C(N)Oc2cc(OC(=O)Cc3ccc(Cl)cc3)ccc2[C@H]1c1cccc2ccccc12 38657950 XDIANPKMBJYEMY-HHHXNRCGSA-N 466.924 5.859 50 10 JKGE CCCOc1cccc(C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@@H]3c2ccccc2OCCC)c1 38681731 WVXPBYRLQLRUQB-HHHXNRCGSA-N 484.552 5.702 50 10 JKGE CCCCCOc1ccccc1[C@@H]1C(C#N)=C(N)Oc2cc(OC(=O)Cc3ccc(OC)cc3)ccc21 38686222 NFQMAFWPBQFWRE-LJAQVGFWSA-N 498.579 5.630 50 10 JKGE Cc1cccc(NC(=O)/C(C#N)=C\c2c(Oc3ccc(C)cc3C)nc3c(C)cccn3c2=O)c1 39858875 CRCZLLGZBJLTMR-QNGOZBTKSA-N 464.525 5.266 50 10 JKGE CCCOc1ccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4oc5cc(C)ccc5c4C)ccc32)cc1 40530392 IHDYGYFSUFOYKE-MHZLTWQESA-N 494.547 6.276 50 10 JKGE COc1cccc(NC(=O)c2oc3c(c2C)/C(=N/NC(=O)Cc2coc4c(C)c(C)ccc24)CCC3)c1 40826638 UBTXFLJAEXFMCV-UQRQXUALSA-N 499.567 5.611 50 10 JKGE COc1cc(/C=N/NC(=O)COc2cc(C)c(Cl)c(C)c2)ccc1OCc1ccccc1C 40911527 QFAADSJDJBDDJW-CCVNUDIWSA-N 466.965 5.382 50 10 JKGE CCOc1ccc(/C=C(\C#N)C(=O)Nc2nc(-c3ccc(Br)cc3)c(CC)s2)cc1 41013245 UVIXJMDMKDMFDE-GHRIWEEISA-N 482.403 6.079 50 10 JKGE CCCOc1ccccc1/C=C(\C#N)C(=O)Nc1sc(C)c(-c2ccc(F)cc2)c1C(=O)OC 41018287 XRKWPHGEANMZSH-XMHGGMMESA-N 478.545 5.984 50 10 JKGE COc1cc(/C=N\NC(=O)CC[C@@H](O)c2ccccc2)cc(Cl)c1OCc1ccccc1Cl 58889800 UDZKMRSYAKPKTR-HSMHNTNPSA-N 487.383 5.545 50 10 JKGE CC(C)Cc1ccc([C@@H](C)C(=O)N/N=C/c2ccccc2OCc2ccc(C(=O)O)cc2)cc1 59148641 JRORSYXUUQRGDZ-IIELIFRRSA-N 458.558 5.416 50 10 JKGE C=CCn1c(CNc2ccccc2)nnc1S[C@@H](C)C(=O)N/N=C(\C)C12CC3CC(CC(C3)C1)C2 59261222 XSXBOIQQKFHFTP-JJZXDIGMSA-N 492.693 5.265 50 10 JKGE CCn1nc(C)c(Br)c1COc1ccc(Br)cc1CBr 91326532 WJUWTMNUTTWOPU-UHFFFAOYSA-N 466.999 5.210 50 10 JKGE N#C/C(=C/c1ccccc1OCc1c(Cl)cccc1Cl)C(=O)Nc1sccc1C#N 96438550 VYWIJVLDHIMMED-YBEGLDIGSA-N 454.338 6.051 50 10 JKGE CC(C)c1ccc(N2C(=O)[C@H](Cc3ccccc3)S/C2=C(/C#N)C(=O)N[C@@H](C)c2ccccc2)cc1 101243177 QPFGDLISSQBZKP-IIXITYHRSA-N 495.648 6.114 50 10 JKGE CC(C)c1ccc(/C=C(/C#N)C(=O)Nc2nc(-c3cccc(Br)c3)cs2)cc1 103740669 PIMKGXNJSYETSG-ZDLGFXPLSA-N 452.377 6.242 50 10 JKGE Fc1ccc(Br)cc1[C@@H](Cl)c1cc(Br)ccc1Br 109803603 QKXFMPGGBHUDAF-ZDUSSCGKSA-N 457.362 6.441 50 10 JKGE COc1ccc2cc([C@H](Br)c3ccccc3I)ccc2c1 109880066 LLXBDZCWCKWGOT-SFHVURJKSA-N 453.117 5.937 50 10 JKGE C[C@H](Cl)c1nc2ccc(Br)cc2n1-c1ccccc1I 115769909 SCQAVDTWQNDTMH-VIFPVBQESA-N 461.528 5.692 50 10 JKGE COc1c(C)cc(Br)c(C)c1[C@@H](Br)c1ccc(Br)cc1Cl 125721222 BROOAERJYWSTPH-HNNXBMFYSA-N 497.452 6.975 50 10 JKGE COc1ccc([C@H](Br)c2cc(C)c(Br)s2)cc1Br 147522946 GKANDMQXDBPWCB-LBPRGKRZSA-N 455.009 6.074 50 10 JKGE Fc1cccc([C@H](Br)c2csc3c(Br)cccc23)c1Br 156134100 VYKBCLXIEQQCIC-ZDUSSCGKSA-N 479.006 7.050 50 10 JKGE COc1ccc([C@H](Br)c2ccc(Br)c(F)c2)c(OC)c1Br 224853412 FUWVFQXTVPBPHB-CYBMUJFWSA-N 482.969 5.852 50 10 JKGE Cc1cc([C@@H](Br)c2cccc(Br)c2Cl)c(C)cc1Br 228453275 IPGJCUASILUELH-AWEZNQCLSA-N 467.426 6.966 50 10 JKGE CC(=NNC(=O)c1ccc(CSc2nc3ccccc3s2)cc1)c1ccc([N+](=O)[O-])cc1 254305626 LHAXNHAQUSXWMJ-UHFFFAOYSA-N 462.556 5.651 50 10 JKGE Cc1cc(OCC(=O)NN=C2C=C(c3ccccc3)[C@@](O)(c3ccccc3)C2)ccc1C(C)C 254625768 CCJYMXCPTXOEHQ-LJAQVGFWSA-N 454.570 5.345 50 10 JKGE CC(C)(C)c1ccc(-c2nnc(SCC(=O)NN=Cc3ccco3)n2-c2ccccc2)cc1 254821157 RZWIZYIRUSPRPS-UHFFFAOYSA-N 459.575 5.067 50 10 JKGE Clc1ccc(C(CBr)(CBr)Cc2ncccc2Br)cc1 312679057 MWUNYRZVPAFGFT-UHFFFAOYSA-N 482.441 5.768 50 10 JKGE CN(C(=O)OC(C)(C)C)c1ccc([C@@H]2COCCN(CCO[Si](C)(C)C(C)(C)C)C2)cc1 616659935 HBUBXSITJSTXFV-NRFANRHFSA-N 464.723 5.496 50 10 JKGE Cc1cc(C)c([C@@H](Br)c2ccsc2Br)c(C)c1Br 698550045 GQQHDFMJUAQQNR-ZDUSSCGKSA-N 453.037 6.683 50 10 JKGE Clc1sc([C@H](Br)c2ccsc2Br)cc1Br 705141480 ZRRNSRANWBZHNK-SSDOTTSWSA-N 451.430 6.472 50 10 JKGE Fc1cc(Br)c(Cl)cc1[C@H](Cl)c1scc(Br)c1Br 705438211 KMIPYEXPOIFPDM-JTQLQIEISA-N 497.836 7.156 50 10 JKGE Cc1cc(Br)c([C@@H](Br)C[C@H]2CC(C)(C)CO2)cc1Br 717120665 GBTVHNMUCXKQGR-HZMBPMFUSA-N 455.028 6.161 50 10 JKGE C[C@@H](Cl)c1nc2cc(I)ccc2n1CC[C@@H]1CCN(Cc2ccccc2)C1 723936240 BHRMWZSXNJUGIE-AEFFLSMTSA-N 493.820 5.853 50 10 JKGE O=C(Nc1ccccc1Cl)[C@@H](c1cccs1)N(C(=O)CCl)c1cccc(C(F)(F)F)c1 725238812 XHTLYXQMTWBUCW-LJQANCHMSA-N 487.330 6.372 50 10 JKGE O=C(NN=Cc1cc(Br)ccc1OCc1cccc2ccccc12)c1ccccc1 725403594 XIZUNKBMMWYDDX-UHFFFAOYSA-N 459.343 5.945 50 10 JKGE COc1ccc2cc(C(=O)N/N=C/c3c(O)c(C(C)(C)C)cc4oc5c(c34)CCCC5)ccc2c1 1084026497 VFXTYEPHFXDLDM-OKCVXOCRSA-N 470.569 6.240 50 10 JKGE Cc1cc(/C=C(\C#N)C(=O)Nc2cccc(Cl)c2Cl)c(C)n1-c1cc(Cl)ccc1Cl 1084082540 IQHNIQMFHOAYEW-OQLLNIDSSA-N 479.194 7.253 50 10 JKGE N#CC1=C(N)Oc2c(c(-c3ccccc3)nn2Cc2cccc(Cl)c2)[C@@H]1c1ccccc1F 1865681884 ZEHDBENBHALIPV-JOCHJYFZSA-N 456.908 5.609 50 10 JKGE CCc1nn(-c2ccc(Cl)c(Cl)c2)c2c1[C@@H](c1cccc3ccccc13)C(C#N)=C(N)O2 1865682427 OBKUMYKZZATAPG-QFIPXVFZSA-N 461.352 6.113 50 10 JKGE N#CC1=C(N)Oc2c(c(-c3ccccc3)nn2Cc2cccc(Cl)c2)[C@H]1c1ccccc1Cl 1865685328 HZFZUTNDEZLNQD-QFIPXVFZSA-N 473.363 6.123 50 10 JKGE N#CC1=C(N)Oc2c(c(C(F)(F)F)nn2-c2ccccc2Cl)[C@@H]1c1ccccc1Cl 1865685945 PIWKCKGSIWKAFY-OAHLLOKOSA-N 451.235 5.416 50 10 JKGE CCCc1nn(Cc2ccccc2)c2c1[C@H](c1c(OC)ccc3ccccc13)C(C#N)=C(N)O2 1865687915 CYVWWVVHQMDHMU-VWLOTQADSA-N 450.542 5.264 50 10 JKGE CCCOc1ccc([C@H]2C(C#N)=C(N)Oc3c2c(CC)nn3Cc2cc(C)ccc2C)cc1OCC 1865691171 LJDVNPPYDYRUJH-SANMLTNESA-N 486.616 5.516 50 10 JKGE Cc1ccsc1[C@@H]1C(C#N)=C(N)Oc2c1c(C(F)(F)F)nn2Cc1ccc(Cl)cc1 1865699375 SEMOGKCGYIXNKN-CQSZACIVSA-N 450.873 5.192 50 10 JKGE COc1cc([C@@H]2C(C#N)=C(N)Oc3c2c(-c2ccccc2)nn3Cc2cccc(Cl)c2)ccc1O 1865705772 FOMCFKKTTDFYKV-HSZRJFAPSA-N 484.943 5.184 50 10 JKGE CCc1ccc([C@H]2C(C#N)=C(N)Oc3c2c(C(F)(F)F)nn3Cc2cc(C)ccc2C)cc1 1865708650 BWVFZJWQYGMXDB-FQEVSTJZSA-N 452.480 5.348 50 10 JKGE COc1ccc(F)cc1-c1cc(C)ccc1NC(=O)/C(C#N)=C/c1cccc(Br)c1 1866131911 SWMZENAIXTUIED-GZTJUZNOSA-N 465.322 6.118 50 10 JKGE CN1CCN(c2cc(Nc3ccc(SC#N)cc3)nc(C(C)(C)C)n2)C[C@H]1c1ccc(F)cc1 1868342103 KIZGOXYLEYESJD-QFIPXVFZSA-N 476.625 5.723 50 10 JKGE CCCc1nc(Nc2ccc(SC#N)cc2)cc(N2CCN3CCc4c(Cl)cccc4[C@H]3C2)n1 1868389518 WYTLBDDIZRPVJV-HSZRJFAPSA-N 491.064 5.819 50 10 JKGE C[C@H](c1ccccc1)N1C[C@H](/C(O)=C(\C#N)c2nc(-c3ccc(F)c(F)c3)cs2)CC1=O 1872751559 NDFQZIUEIQWBCE-JTSVPAFMSA-N 451.498 5.491 50 10 JKGE CCCCCOc1ccc(/C=C(\C#N)c2nc(-c3cc(Cl)cc(Cl)c3OC)cs2)cc1 1872792836 TXJIHZNPYOYRML-GZTJUZNOSA-N 473.425 7.759 50 10 JKGE CC(C)(C)OC(=O)N1CCC[C@H](C(=O)N/N=C/c2ccc(OCc3cccc(Cl)c3)cc2)C1 1873499356 QZPMVVRTMYVVPH-IYAOEYEUSA-N 471.985 5.016 50 10 JKGE C[C@@H](CCOc1c(Br)cc(Br)cc1CBr)C(F)(F)F 1876111679 BZLSDARXTPMZIY-ZETCQYMHSA-N 468.933 6.074 50 10 JKGE Brc1ccc([C@@H](Br)c2cc(I)sn2)s1 1884459978 QLYBPQXDCDYWAS-QMMMGPOBSA-N 464.973 5.056 50 10 JKGE C[C@@H](CCBr)N(Cc1ccccc1)S(=O)(=O)c1cc(Cl)ccc1Cl 1915095207 SSJHHZFQFUUZCZ-ZDUSSCGKSA-N 451.213 5.358 50 10 JKGE COc1cccc(Br)c1C(=O)N(Cc1ccccc1)[C@@H](CBr)C1CC1 1915261906 FVYFLJPMBBZDOL-KRWDZBQOSA-N 467.201 5.274 50 10 JKGE Cc1c(Br)sc([C@H](Br)c2cc3ccccc3s2)c1Br 1922884665 SNVMKJBPCULGQQ-GFCCVEGCSA-N 481.072 7.281 50 10 JKGE Cc1c(Br)sc([C@H](Br)C23CCC(CC2)CC3)c1Br 1922911269 AVHAYLWROMTZLO-PEUVISTOSA-N 457.069 6.988 50 10 JKGE Cc1c(Br)sc([C@H](Cl)c2ccc(Br)c(F)c2)c1Br 1922944976 BIWHZTQKFYWOMX-SNVBAGLBSA-N 477.418 6.811 50 10 JKGE COc1ccc([C@@H](Br)c2csnc2Br)c(OC)c1Br 1925256678 MQCJKZJKYLEHRA-SECBINFHSA-N 471.996 5.170 50 10 JKGE Fc1c(Br)cccc1[C@H](Br)c1c(Cl)sc(Cl)c1Cl 1925587231 HVXJNZAIEJLZAM-ZETCQYMHSA-N 453.385 7.094 50 10 JKGE Cc1cc(Br)c([C@H](Br)c2cscc2OCc2ccccc2)s1 1934837782 DACZBNSVBGAGAT-MRXNPFEDSA-N 458.240 6.944 50 10 JKGE Cc1csc([C@H](Br)c2c(Cl)sc(Cl)c2Cl)c1Br 1950881715 JIVAGZDNWXOSIP-ZCFIWIBFSA-N 455.451 7.325 50 10 JKGE C[C@@H]([C@H](Cl)c1c(Br)sc(Br)c1Br)C(F)(F)F 1984582802 DNGOHPTVNRRPDI-VHUNDSFISA-N 465.354 6.514 50 10 JKGE FC(F)([C@H]1CCOC1)[C@@H](Br)c1cc(Br)sc1Br 2012977835 QSOJIZJCOMCYPC-XNCJUZBTSA-N 454.956 5.381 50 10 JKGE CS(=O)(=O)c1sccc1[C@@H](Br)c1sc(Cl)cc1Br 2036939546 ROIXRJRCTAUDEC-MRVPVSSYSA-N 450.626 5.113 50 10 JKGE Clc1cccc(Cl)c1C[C@@H](Br)c1scc(Br)c1Br 2042860254 VRASVGJZKLVBPR-SSDOTTSWSA-N 493.873 7.259 50 10 JKGE Cc1nc([C@H](Br)c2cc(Br)c(Cl)cc2F)c(Br)s1 2050335095 PAZFHSHVZDZJMV-SECBINFHSA-N 478.406 6.253 50 10 JKGE Cc1ccc([C@H](Br)c2cc(Br)c(Cl)s2)c(C)c1Br 2052446700 VPCFCDKTBFWNCT-LBPRGKRZSA-N 473.455 7.028 50 10 JKGE CCCOc1cccc(-n2nc(CBr)c(I)c2C(F)(F)F)c1 2079257383 NXBQDGABKFPZLT-UHFFFAOYSA-N 489.073 5.179 50 10 JKGE COc1c(Cl)cc(Br)cc1[C@@H](Cl)c1cscc1OCc1ccccc1 2082860972 IHZBTOVGVXPQGO-GOSISDBHSA-N 458.204 7.080 50 10 JKGE CCCN(c1ccc(CBr)c(Br)c1)C1CCN(Cc2ccccc2)CC1 2087293397 AAZSAWYVHJNEOH-UHFFFAOYSA-N 480.288 6.225 50 10 JKGE BrCc1cc(Br)cc(Br)c1OCCCOC1CCC1 2088889318 DPAYXZNCRNFYCK-UHFFFAOYSA-N 457.000 5.445 50 10 JKGE Brc1cccc(CN2C[C@H]3[C@@H](Br)CCC[C@H]3C2)c1Br 2094583929 YCFVGFOHDKGLAG-UHTWSYAYSA-N 452.028 5.207 50 10 JKGE Cc1cc(C)c([C@@H](Br)c2cc(Br)sc2C)c(C)c1Br 2095698812 KBPKWJBJOUDQAC-HNNXBMFYSA-N 467.064 6.991 50 10 JKGE Fc1cccc(OCc2cccc(Br)c2Br)c1CBr 2104510800 MWNVEHKRGDEYIO-UHFFFAOYSA-N 452.943 5.825 50 10 JKGE COCc1cc(Br)c([C@@H](Br)c2nn(C)c(Cl)c2Br)s1 2110730621 LQSIXONNJNLBHZ-ZETCQYMHSA-N 493.446 5.291 50 10 JKGE Fc1c(Cl)ccc(Br)c1C[C@H](Br)c1ccc(Br)cc1 2113493008 IHTXLHQXNXLLSR-LBPRGKRZSA-N 471.389 6.683 50 10 JKGE Fc1cc(Br)cc(N2CC[C@@]3(CCN(Cc4ccccc4)C3)C2)c1CBr 2114263867 FSMTZMBVLYQXKY-OAQYLSRUSA-N 482.235 5.586 50 10 JKGE FC1(F)CN(Cc2cc(Br)ccc2Br)CC[C@@H]1CBr 2118525040 PONQADWIWWBMPE-SNVBAGLBSA-N 461.970 5.064 50 10 JKGE C[C@@H](c1cccs1)N(Cc1ccccc1)S(=O)(=O)c1ccc(CCBr)s1 2123243996 QLXDPXRVAFLOBX-HNNXBMFYSA-N 470.479 5.699 50 10 JKGE CCC1(C)CC([C@@H](Br)c2c(C)c(Br)cc(C)c2Br)C1 2136374691 ODXOIYWVXWJRPU-YWCUFVOSSA-N 453.056 7.091 50 10 JKGE Cc1c(Br)ccc([C@@H](Br)[C@H]2CC23CC(F)(F)C3)c1Br 2138850710 IAVOWDXOSWCKMT-BXKDBHETSA-N 458.966 6.391 50 10 JKGE Cc1c(F)ccc([C@@H](Cl)c2cc(I)ccc2Br)c1C 2138907743 AGPFWLHHZNCQMW-OAHLLOKOSA-N 453.520 6.138 50 10 JKGE C[C@H](Cl)c1nc2cc(I)ccc2n1[C@H](C)c1cnn(Cc2ccccc2)c1 2146217459 MNAAWIFCGFCXSU-LSDHHAIUSA-N 490.776 5.795 50 10 JKGE CC(C)(C)[C@@H]1CC[C@H](Br)[C@H](Cc2cccc(Br)c2Br)C1 2148754598 VPMJSMJQMKCTCD-MCIONIFRSA-N 467.083 6.980 50 10 JKGE FC(F)CC1([C@H](Br)c2cc(I)cc3c2OCC3)CCC1 2151978813 FKHWXTQEDXZOAN-CQSZACIVSA-N 457.096 5.488 50 10 JKGE Cc1cc(CN(CCN(C)Cc2ccccc2)Cc2ccccc2)ccc1-c1nc(CCl)cs1 2153537399 SCEHSMFBUPTAJD-UHFFFAOYSA-N 490.116 6.992 50 10 JKGE CCCC(CBr)(CCC)CN1C[C@@H](NC(=O)OC(C)(C)C)[C@H](C(F)(F)F)C1 2163058760 NPNVALJTINEFMW-HUUCEWRRSA-N 459.391 5.355 50 10 JKGE C[C@H](Cl)c1nc2cc(Cl)c(Br)cc2n1C[C@@H]1CCCN1Cc1ccccc1 2169007397 AQMVWLDJPZYTFZ-HOCLYGCPSA-N 467.238 6.417 50 10 JKGE Fc1ccc(I)cc1[C@@H](Br)c1cc(F)c(F)c(F)c1F 2169664977 WDAAGCZSIZIGDX-SNVBAGLBSA-N 462.981 5.471 50 10 JKGE O=C(NCC[C@@H]1CCCC[C@H]1Br)c1cc(Cl)ccc1I 2179638562 XPCWTCSXTCRZSV-GXFFZTMASA-N 470.576 5.018 50 10 JKGE COc1cc(C)c([C@@H](Br)c2cccc(Br)c2Cl)cc1Br 2198737742 SFWMQDIUYGYEQV-AWEZNQCLSA-N 483.425 6.666 50 10 JKGE Cc1c(Br)ccc([C@H](Br)c2cc3ccccc3s2)c1Br 2203682395 DPRHCLVMXJJCMH-INIZCTEOSA-N 475.043 7.219 50 10 JKGE COc1c(Br)cc(C)cc1[C@H](Br)c1cc(Br)ccc1C 2203826994 WNYABXSKGZUZNI-OAHLLOKOSA-N 463.007 6.321 50 10 JKGE FC1(F)CCC[C@@H](O[C@@H](CI)c2ccc(Br)cc2)CC1 2207037005 GOVMPOAURUIHTH-KGLIPLIRSA-N 459.112 5.910 50 10 JKGE Clc1cc(CN2CC[C@@H]3CC[C@H](Br)C[C@@H]3C2)ccc1I 2208044828 OELLNMZYNYSLFZ-MJBXVCDLSA-N 468.604 5.330 50 10 JKGE Cc1sc(C[C@@H](Br)c2ccccc2Br)c(Br)c1C 2221822732 KWFKYWHISIHGAA-GFCCVEGCSA-N 453.037 6.569 50 10 JKGE Cc1ccc([C@@H](C)[C@H](Cl)c2c(Br)sc(Br)c2Br)cc1 2232081526 JUTLRINQJYLOMX-PELKAZGASA-N 487.482 7.428 50 10 JKGE CCc1ccc([C@H](Br)c2c(Br)cc(C)c(Br)c2C)cc1 2235597456 CJKYFIYDRRLVJO-KRWDZBQOSA-N 461.035 6.875 50 10 JKGE CCOc1ncc(COc2c(Br)cc(Br)cc2CBr)s1 2239973354 ORIUHUVUJAQKPP-UHFFFAOYSA-N 486.023 5.541 50 10 JKGE BrC[C@@H]1C[C@H]2CCCC[C@@H]2N1Cc1cccc(Br)c1Br 2240672364 BLHACMWPCKSCCF-ZLDLUXBVSA-N 466.055 5.740 50 10 JKGE CCc1cc([C@H](Br)c2c(Cl)cccc2Br)sc1Br 2255971936 JPGYWTIYDBDPFH-LBPRGKRZSA-N 473.455 6.973 50 10 JKGE CCc1cc([C@H](Br)c2nn(C)c(Br)c2C)sc1Br 2255982166 HQBUCNLYADXTTR-VIFPVBQESA-N 457.029 5.362 50 10 JKGE Cc1cc([C@H](Br)c2cc(Br)cc(C(C)C)c2)sc1Br 2265966869 IHEZTWIFYHXTFA-CQSZACIVSA-N 467.064 7.189 50 10 JKGE Cc1cc(Br)c([C@H](Br)C[C@H]2CCCC23CC3)cc1Br 2266625365 ADDFXALKURYVGO-IAQYHMDHSA-N 451.040 6.926 50 10 JKGE Fc1cc(Br)c(F)c(Br)c1[C@H](Br)CC[C@@H]1CCCO1 2272848841 AFKFZICUAMLPJX-JGVFFNPUSA-N 462.954 5.885 50 10 JKGE COc1c([C@H](Br)c2cc(Br)c(C)s2)cc(Br)c(C)c1C 2284585193 CSYHHDRIFLEMQT-AWEZNQCLSA-N 483.063 6.691 50 10 JKGE COc1ccc(C)cc1[C@@H](Br)Cc1cc(Br)cc(Br)c1 2295275301 TUAASMCIUMXGBS-HNNXBMFYSA-N 463.007 6.207 50 10 JKGE FC(F)(F)[C@@H]1CC[C@@H]([C@@H](Br)Cc2cc(Br)cc(Br)c2)C1 2295336215 STZNUJHDEHNFFL-BREBYQMCSA-N 478.972 6.496 50 10 JKGE Fc1cc([C@@H](Br)Cc2cc(Br)cc(Br)c2)c(F)cc1Cl 2295337641 MNQSMXAEFQJNTL-NSHDSACASA-N 489.379 6.822 50 10 JKGE FC1(F)CC2(CC([C@H](Br)Cc3cc(Br)cc(Br)c3)C2)C1 2295345379 LLMALLKRNBNCPW-CYBMUJFWSA-N 472.993 6.343 50 10 JKGE N#CC(C(=O)c1c[nH]c2ccccc12)=C1S[C@@H](Cc2ccc(F)cc2)C(=O)N1c1ccccc1 2296837811 ZKCBSZUYPQOPOY-DEOSSOPVSA-N 467.525 5.616 50 10 JKGE COc1ccc(-c2nn(-c3ccccc3)cc2C=C(C#N)S(=O)(=O)c2ccc(C)c(C)c2)cc1OC 2297369788 IKJJECWXKOHUTM-UHFFFAOYSA-N 499.592 5.512 50 10 JKGE CC(C=Cc1ccccc1)=NNC(=O)COc1c(Br)cc(C)cc1Br 2297450919 RZFWFOOAYFPLFD-UHFFFAOYSA-N 466.173 5.104 50 10 JKGE Cc1cccc(OCCOc2ccc(C=C(C#N)C(=O)Nc3nc4ccccc4s3)cc2)c1 2297499964 AZPMWLRNNOUQCE-UHFFFAOYSA-N 455.539 5.608 50 10 JKGE C[C@@H]1CCC[C@@H]([C@@H](Br)c2cc(Br)ccc2OCc2ccccc2)C1 2299522428 KYMOSWAJKCODBI-QLVMHMETSA-N 452.230 7.290 50 10 JKGE CC(C)C(CBr)(CBr)Cc1ccc(Cl)c(I)c1 2300267168 GODZEHYTSTUPOD-UHFFFAOYSA-N 494.436 5.919 50 10 JKGE FC1(F)C[C@H](Br)[C@H](Cc2ccc(I)c(Br)c2)C1 2306217964 VQEQIMCSUNAGCQ-SCZZXKLOSA-N 479.928 5.405 50 10 JKGE N#CC(=Cc1cc(Br)ccc1OCc1cccc(Cl)c1)C(=O)Nc1ccccc1 2313630259 BWVZQAUVPITJGM-UHFFFAOYSA-N 467.750 6.227 50 10 JKGE COC(=O)c1cccc(Cn2cc(C=C(C#N)C(=O)Nc3ccc(C)cc3C)c3ccccc32)c1 2313667775 WCQBGZZTNOQKDN-UHFFFAOYSA-N 463.537 5.639 50 10 JKGE CC1=C(C#N)C(=O)N(Cc2ccccc2)C(=O)C1=Cc1ccc(-c2cccc(Cl)c2Cl)o1 2314611128 RBVMFXRNRYHMMU-UHFFFAOYSA-N 463.320 6.046 50 10 JKGE CCCCOc1ccccc1[C@@H]1C(C#N)=C(N)Oc2cc(OC(=O)C=Cc3ccc(C)cc3)ccc21 2314634826 QZZYBNJDCRRIBH-LJAQVGFWSA-N 480.564 6.011 50 10 JKGE C[C@@H](Oc1ccc(C(C)(C)C)cc1)C(=O)Oc1ccc(C=C(C#N)C(=O)NCc2ccco2)cc1 2314771082 SHUFYMREDUWJLU-LJQANCHMSA-N 472.541 5.173 50 10 JKGE CCN(CCC1(c2ccccc2)CCCC1)C(=O)C(C#N)=Cc1ccc(Br)cc1 2324505840 XGRGZQDTOIQIFC-UHFFFAOYSA-N 451.408 6.107 50 10 JKGE C[C@@H]1CCC[C@](CBr)(Cc2ccc(I)c(Br)c2)O1 2325219687 AFOGBMNKSMPRAY-QMTHXVAHSA-N 488.001 5.319 50 10 JKGE Cc1ccc2nc(-c3ccc(NC=C(C#N)C(=O)Nc4cccc([N+](=O)[O-])c4)cc3)sc2c1 2325245991 JQUZXWQQMJKAAZ-UHFFFAOYSA-N 455.499 5.638 50 10 JKGE O=C(c1csc(Br)c1Br)N1CC[C@H]2C[C@@H](Br)CC[C@H]21 2328781097 PDBCOHOVRQJCBW-OYNCUSHFSA-N 472.040 5.051 50 10 JKGE N#CC(=C(O)COc1cc(Cl)ccc1Cl)c1nc(-c2ccc(Oc3ccccc3)cc2)cs1 2331359050 VRHGASAHDCHRSG-UHFFFAOYSA-N 495.387 7.781 50 10 JKGE COc1c(C)cc(C)cc1-c1csc(C(C#N)=C(O)c2cc([N+](=O)[O-])cc([N+](=O)[O-])c2)n1 2331376149 ITLBEMOLYPKDMW-UHFFFAOYSA-N 452.448 5.202 50 10 JKGE Cc1ccc(C(C)(C)C)cc1-c1csc(C(C#N)=C(O)[C@H](C)N2C(=O)c3ccccc3C2=O)n1 2331396400 UPEABEWFNQHEPR-INIZCTEOSA-N 471.582 5.893 50 10 JKGE COc1ccc(-c2csc(C(C#N)=C(O)C=Cc3ccc4c(c3)OCCO4)n2)cc1Cl 2331398072 CDMUSJNBWIFFCU-UHFFFAOYSA-N 452.919 5.749 50 10 JKGE N#CC(=Cc1ccc(OC(=O)c2ccccc2)cc1)c1nc(-c2ccc3ccccc3c2)cs1 2331417139 UXPURQXHCZECNC-UHFFFAOYSA-N 458.542 7.247 50 10 JKGE CCCCCCOc1ccc(C=C(C#N)c2nc(-c3ccc(F)cc3F)cs2)cc1OC 2331436058 CYJMFYJOHQVVMW-UHFFFAOYSA-N 454.542 7.120 50 10 JKGE CCCN(CCC)C(=O)COc1ccc(C=C(C#N)c2nc(-c3ccc(C)cc3)cs2)cc1OC 2331445076 CDVLBEBCXJKJSA-UHFFFAOYSA-N 489.641 6.219 50 10 JKGE N#CC(=Cc1c(OCc2ccccc2)ccc2ccccc12)c1nc(-c2c[nH]c3ccccc23)cs1 2331461943 ZCSUPQNIWINWFE-UHFFFAOYSA-N 483.596 8.088 50 10 JKGE COc1c(Cl)cc(Cl)cc1-c1csc(C(C#N)=Cc2cccc(OCc3ccccc3)c2)n1 2331467233 QMTGRRFZPWHYLJ-UHFFFAOYSA-N 493.415 7.769 50 10 JKGE COc1cc(C=C(C#N)c2nc(-c3cc(Cl)c(OC)c(Cl)c3)cs2)cc(OC)c1OC 2331480488 XCVVVNRDMFSWDT-UHFFFAOYSA-N 477.369 6.215 50 10 JKGE COc1ccc([C@@H](Br)c2ccc(OCc3ccccc3)cc2Br)c(F)c1 2336039238 VDGORURROQHXAI-NRFANRHFSA-N 480.171 6.660 50 10 JKGE FC1(F)[C@H]2C[C@H]([C@@H](Br)c3cc(Br)ccc3OCc3ccccc3)CC[C@H]21 2336082575 BBDONBQTPIAMCS-XUMLPFHTSA-N 486.194 7.146 50 10 JKGE CC[C@@](C)(C(F)F)[C@H](Br)c1c(Br)cc(Cl)c(Cl)c1Cl 2336598360 ZYKQAWBLJPNDTN-ZYHUDNBSSA-N 459.383 7.527 50 10 JKGE Fc1ccccc1[C@@H](Br)CCc1ccc(Cl)c(I)c1 2337218558 JWUKVCFDFUNVOX-LBPRGKRZSA-N 453.520 6.153 50 10 JKGE COc1ccc(C[C@H](Br)c2ccc(Cl)cc2I)cc1 2340058356 QRORCSQWRAEWBT-AWEZNQCLSA-N 451.529 5.632 50 10 JKGE CC(C)Cc1ccc([C@@H](Br)c2ccc(Cl)cc2I)s1 2340065522 LJDVERIEJKCUIE-HNNXBMFYSA-N 469.613 6.689 50 10 JKGE Cc1nn(C)c2sc([C@H](Cl)c3ccc(OCc4ccccc4)cc3Br)cc12 2361170296 CGXCXWXSRQXKSM-HXUWFJFHSA-N 461.812 6.613 50 10 JKGE CCc1occ(C)c1[C@@H](Br)c1c(C)cc(Br)c(F)c1Br 2365177778 DBXXIKNVTFZADT-CYBMUJFWSA-N 468.986 6.607 50 10 JKGE Cc1cc(Br)c(F)c(Br)c1[C@H](Br)[C@@H]1CCCOC1(C)C 2365194374 QFBZHQBTYLZDIL-JOYOIKCWSA-N 473.018 6.300 50 10 JKGE Cc1cccc(C)c1NC(=O)/C(C#N)=C1\S[C@@H](Cc2cccc(Cl)c2)C(=O)N1c1ccccc1 2211032 ZVIFZAKZKQVENH-QPQZTTLASA-N 488.012 6.022 50 10 JKGE Cc1ccc(N2CCN(C(=O)/C(C#N)=C/c3ccc(-c4ccc(Br)cc4)o3)CC2)cc1 2800871 AHHAFUYEAQTQNN-CAPFRKAQSA-N 476.374 5.273 50 10 JKGE CC(C)CCOc1ccc(Br)cc1C(=O)NNC(=O)c1sc2ccccc2c1Cl 14650704 WXGLZACTXNVSQI-UHFFFAOYSA-N 495.826 5.817 50 10 JKGE COc1ccc(Br)cc1/C=N/NC(=O)C=C(Sc1ccccc1)Sc1ccccc1 21320701 NKCRLBXJYMHKNR-PCLIKHOPSA-N 499.455 6.334 50 10 JKGE O=C(N/N=C1\C[C@H](c2ccccc2)Oc2ccccc21)c1cc(-c2ccc(F)cc2)nc2ccccc12 25337857 BUVVSCXNHCHUAD-PYDAHQHTSA-N 487.534 6.699 50 10 JKGE CCOc1ccc(OCC(=O)Oc2ccc(/C=C(/C#N)c3ccc(Cl)cc3)cc2OC)cc1 31902167 VOIGXUYKXSFPSX-ZHZULCJRSA-N 463.917 5.796 50 10 JKGE N#C/C(=C/c1cc([N+](=O)[O-])ccc1OCC(=O)Nc1ccccc1)C(=O)Nc1ccc2ccccc2c1 35519596 LPQHSFDLZCDUNC-HMAPJEAMSA-N 492.491 5.311 50 10 JKGE Cc1ccc(Cn2c(C(=O)N3CCN(C(=O)[C@H](Cl)c4ccccc4)[C@H](C)C3)cc3ccoc32)cc1 35843950 LUCNCLCCOPHDKM-CJFMBICVSA-N 490.003 5.244 50 10 JKGE CCCN1C(=O)C(C#N)=C(C)/C(=C\c2cn(-c3ccccc3)nc2-c2cc3ccccc3o2)C1=O 38603437 PEVXRXHWMVUXIY-HYARGMPZSA-N 462.509 5.288 50 10 JKGE CCCCCCN1C(=O)C(C#N)=C(C)/C(=C\c2ccc(-c3cccc(Cl)c3Cl)o2)C1=O 38604124 NPMMTEMVOXIOQG-QGOAFFKASA-N 457.357 6.426 50 10 JKGE CCCCOc1cccc(C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@@H]3c2ccccc2F)c1 38652196 YOZYQAQQTWRMIS-RUZDIDTESA-N 458.489 5.442 50 10 JKGE CCOc1ccc(C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@@H]3c2cccc(OCCC(C)C)c2)cc1 38684659 VBQJJRHEACXABA-MUUNZHRXSA-N 498.579 5.948 50 10 JKGE Cc1ccc2c(CC(=O)N/N=C3\CCCc4oc(C(=O)Nc5ccccc5)c(C)c43)coc2c1C 40826718 DSPWSAYANMNQRU-JBASAIQMSA-N 469.541 5.603 50 10 JKGE CCCCCOc1ccc(/C=C(\C#N)C(=O)Nc2scc(-c3ccccc3)c2C(=O)OC)cc1 40858876 HEFGODVBSGFKFC-LTGZKZEYSA-N 474.582 6.316 50 10 JKGE COc1cc(/C=N/NC(=O)COc2cc(C)ccc2C)ccc1OCc1ccccc1Cl 40911104 MIDJCMQYFATUBT-MZJWZYIUSA-N 452.938 5.074 50 10 JKGE Cc1cc(-n2c(CCl)nc3cc(I)c(F)cc32)ccc1Br 97408549 URIBDDNSFLFYQP-UHFFFAOYSA-N 479.518 5.579 50 10 JKGE CC1=C(C#N)C(=O)N(Cc2ccco2)C(=O)/C1=C/c1cn(-c2ccccc2)nc1-c1ccc(Cl)cc1 101336619 VQHFAEBHPVUDRA-ZVHZXABRSA-N 494.938 5.578 50 10 JKGE COc1cc(/C=C(/C#N)C(=O)Nc2nc3ccccc3s2)ccc1OCc1cccc(C)c1 102443945 LILQNPVUKUDGIV-MOSHPQCFSA-N 455.539 5.738 50 10 JKGE Cc1ccc(C[C@H]2S/C(=C(\C#N)C(=O)Nc3ccccc3)N(c3ccc(F)cc3)C2=O)cc1 102973857 UMPOPSUABSYACQ-QPQMVVSWSA-N 457.530 5.199 50 10 JKGE N#C/C(C(=O)Nc1ccccc1)=C1\S[C@H](Cc2ccc(Cl)cc2)C(=O)N1c1ccc(F)cc1 102973884 IMMVMQAZWAOHQD-FNBPXTNNSA-N 477.948 5.544 50 10 JKGE CCOc1ccc(N/C(SCc2ccc(C)cc2C)=C(\C#N)C(=O)NCc2ccco2)cc1 105422652 APNUGUDHYZDDPU-LCUIJRPUSA-N 461.587 5.692 50 10 JKGE COc1ccc2cc([C@@H](Br)c3ccc(I)cc3)ccc2c1 109879958 IEGDQKFCOVRQFM-SFHVURJKSA-N 453.117 5.937 50 10 JKGE Clc1ccc(C(CBr)(CBr)Cc2cc(Br)cs2)cc1 118670935 CTJJFNSENWAQSB-UHFFFAOYSA-N 487.482 6.434 50 10 JKGE O=C(c1cc(Br)c(Br)s1)N(CCBr)C1CCCC1 122641947 VRHKJCFJGIWKCK-UHFFFAOYSA-N 460.029 5.053 50 10 JKGE CC1(C)C[C@H](N=C=O)C[C@@](C)(CNC(=O)NCCc2c[nH]c3cc(OCc4ccccc4)ccc23)C1 170291095 JBKBSZLPZIHZRI-MUAVYFROSA-N 488.632 5.509 50 10 JKGE CCCCCCCCCC[C@H](O)CN(C[C@H](O)CCCCCCCCCC)C(=O)CCl 205786579 YMEJFFNSYLSUJP-PLQXJYEYSA-N 462.159 6.837 50 10 JKGE COc1cc(/C=C(/C#N)C(=O)NCc2ccco2)ccc1OC(=O)/C=C\c1ccc(C(C)C)cc1 206432226 GYSUMIDHRSYOCF-VAOWULRYSA-N 470.525 5.254 50 10 JKGE CCCCN1C(=O)C(C#N)=C(C)/C(=C/c2cn(-c3ccccc3)nc2-c2ccc(C)cc2)C1=O 214224653 JGPDVYINGCTSGE-JLPGSUDCSA-N 450.542 5.240 50 10 JKGE Cc1cc(F)cc(C)c1[C@H](Br)c1ccc(Br)cc1Br 235786169 FOYLKXPNCKXTGD-OAHLLOKOSA-N 450.971 6.452 50 10 JKGE COC(=O)c1ccc(COc2ccccc2C=NNC(=O)c2ccc(COc3ccccc3)cc2)cc1 254397117 BAGOBDCIUFAYIK-UHFFFAOYSA-N 494.547 5.395 50 10 JKGE O=C(NN=Cc1ccc(N2N=C(/C=C/c3ccccc3)C[C@@H]2c2ccccc2)cc1)c1ccncc1 254420785 WLZZNVJPWDXDQS-HLCGQJGNSA-N 471.564 5.866 50 10 JKGE Cc1c(C(=O)Nc2ccc(N=Nc3ccccc3)cc2)oc2c1/C(=N/NC(=O)c1cccnc1)CCC2 256018222 YDPODWNDYPBDFC-JEMYOPGDSA-N 492.539 6.121 50 10 JKGE Fc1ccc([C@@H](Cl)c2cc3c(cc2Br)OCC3)c(I)c1 308436273 OFOZOBMDMPCARC-OAHLLOKOSA-N 467.503 5.456 50 10 JKGE Cc1ccc(CC(CBr)(CBr)c2ccccc2)cc1Br 313697663 WCSIOAUZYPSAHK-UHFFFAOYSA-N 461.035 6.028 50 10 JKGE C[C@H]1CN(Cc2ccccc2)CCN(c2ccc(CBr)cc2Br)C1 323499327 VBJQWIMWBJAEEN-INIZCTEOSA-N 452.234 5.302 50 10 JKGE C[C@H](Cl)c1nc2cc(F)c(Br)cc2n1[C@H]1CN(Cc2ccccc2)C[C@@H]1C 389872102 QIZCYVLXFVRIMX-YRVVQQKDSA-N 450.783 5.931 50 10 JKGE Fc1cc2nc(CCCl)n(C[C@@H]3CCCN3Cc3ccccc3)c2cc1Br 390542435 RYVJWAAZUSWTQY-INIZCTEOSA-N 450.783 5.384 50 10 JKGE Fc1c(Br)cccc1[C@@H](Br)c1cc(Cl)c(Cl)c(Cl)c1Cl 404662471 RVJCLJOSSIXWEB-SECBINFHSA-N 481.801 7.686 50 10 JKGE Clc1ccc(I)c(CN(CCBr)Cc2ccccc2)c1 405210178 KWHIVRICGGOODZ-UHFFFAOYSA-N 464.572 5.342 50 10 JKGE CN(C(=O)OC(C)(C)C)c1cccc([C@@H]2COCCN2CCO[Si](C)(C)C(C)(C)C)c1 616641307 YBFFTACHUSLVIW-NRFANRHFSA-N 450.696 5.453 50 10 JKGE Brc1cc2c(c([C@@H](Br)c3occc3Br)c1)OCCC2 688383489 WTZWNDDFRSOCLV-GFCCVEGCSA-N 450.952 5.614 50 10 JKGE C[C@@H]1CCCN(C(=O)c2scc(Br)c2Br)[C@H]1CCBr 707837767 GHZUXWLJRRWJPC-SCZZXKLOSA-N 474.056 5.299 50 10 JKGE Cc1cc(C=NNC(=O)C(=O)Nc2ccc(Cl)c(Cl)c2)c(C)n1-c1ccccc1Cl 725387538 XEBYIXZNQYTEGT-UHFFFAOYSA-N 463.752 5.143 50 10 JKGE CC(C)(C)OC(=O)N1C[C@H](CI)[C@H](c2ccc(F)c(C(F)(F)F)c2)C1 725418064 DVIIBQBTFALKBP-RYUDHWBXSA-N 473.248 5.230 50 10 JKGE C[C@@H](SCc1ccccc1)C(=O)NN=C1C(=O)N(Cc2cccc3ccccc23)c2ccccc21 1083944088 XYORGCOYLUPYIY-HXUWFJFHSA-N 479.605 5.529 50 10 JKGE CCOc1cc(C=NNC(=O)CSc2ccc(Cl)cc2)ccc1OCc1ccccc1Cl 1084018838 CGOFVNSSDOUVOG-UHFFFAOYSA-N 489.424 6.214 50 10 JKGE CC(=NNC(=O)COc1c(C)cc(Br)cc1Br)c1ccc2ccccc2c1 1084377154 ZIKDUPAIHKCAMO-UHFFFAOYSA-N 490.195 5.592 50 10 JKGE Cc1ccc(C)c(NC(=O)/C(C#N)=C\c2cc(-c3ccccc3)n(-c3ccccc3)c2-c2ccccc2)c1 1084384397 ZUUUFMCJKNUCFO-ANYBSYGZSA-N 493.610 7.974 50 10 JKGE O=C(CSc1ccc(Cl)cc1)NN=Cc1ccccc1OCc1ccc(Br)cc1 1084478558 RPFVZAUJWKWRRL-UHFFFAOYSA-N 489.822 5.924 50 10 JKGE CCOC(=O)c1ccc(-n2c(C)cc(C=NNC(=O)c3ccc(Cl)cc3Cl)c2C)cc1 1084557331 HWRLISMVEAAYEC-UHFFFAOYSA-N 458.345 5.342 50 10 JKGE COc1cc2ccccc2cc1C(=O)NN=C1C(=O)N(Cc2cccc3ccccc23)c2ccccc21 1084594935 UFTSJQQKWOQKEE-UHFFFAOYSA-N 485.543 5.683 50 10 JKGE O=C(CC[C@H](O)c1ccccc1)NN=Cc1cn(Cc2cccc3ccccc23)c2ccccc12 1084614555 LYDIVUUWOFCFEB-LJAQVGFWSA-N 461.565 5.807 50 10 JKGE CCOc1cc(C=NNC(=O)C(c2ccccc2)c2ccccc2)ccc1OCc1ccccc1 1084623948 MOCWVYGPAIEXSE-UHFFFAOYSA-N 464.565 5.947 50 10 JKGE Cc1c(C(=O)NC2CCCCC2)oc2c1C(=NNC(=O)c1ccc(Cl)cc1Cl)CCC2 1772747353 GPZGKQHWQJRIBQ-UHFFFAOYSA-N 462.377 5.428 50 10 JKGE Cc1nn(Cc2ccc(Cl)cc2)c2c1[C@@H](c1ccc(OCc3ccccc3)cc1)C(C#N)=C(N)O2 1865689473 AFKZMIKERSWHTO-SANMLTNESA-N 482.971 5.690 50 10 JKGE CCCOc1ccc([C@@H]2C(C#N)=C(N)Oc3c2c(CC)nn3Cc2cccc(F)c2)cc1OCC 1865690829 CAWSNJXRQYDPJY-XMMPIXPASA-N 476.552 5.039 50 10 JKGE Cn1nc(-c2ccccc2)c2c1OC(N)=C(C#N)[C@@H]2c1ccccc1OCc1ccccc1Cl 1865702959 JLBCCNAZIFWYHT-QHCPKHFHSA-N 468.944 5.538 50 10 JKGE N#CC1=C(N)Oc2c(c(-c3ccccc3)nn2-c2ccccc2Cl)[C@H]1c1ccc(O)c([N+](=O)[O-])c1 1865714038 BDUYDUDTCJMOLF-NRFANRHFSA-N 485.887 5.025 50 10 JKGE COCCc1nc(Nc2ccc(SC#N)cc2)cc(N2CCO[C@H](c3cccc(Cl)c3)C2)n1 1868253012 AEAHYYGSWZQNCC-NRFANRHFSA-N 482.009 5.214 50 10 JKGE CCc1nc(Nc2ccc(SC#N)cc2)cc(N2CCN3CCc4c(Cl)cccc4[C@H]3C2)n1 1868277565 BCFQWWBLTPISQI-JOCHJYFZSA-N 477.037 5.429 50 10 JKGE CCCc1nc(Nc2ccc(SC#N)cc2)cc(N2CCC[C@H]2c2ccc(C(F)(F)F)cc2)n1 1868388345 JAWBYFJDZYPMOX-NRFANRHFSA-N 483.563 7.106 50 10 JKGE CCCCc1ccc(-c2csc(/C(C#N)=C(O)/C(=C\c3ccccc3)c3ccccc3)n2)cc1 1872744670 CJUJWJXDEJQMNA-SUJXTMRWSA-N 462.618 8.186 50 10 JKGE N#C/C(=C(/O)COc1cc(Cl)ccc1Cl)c1nc(-c2cccc(Br)c2)cs1 1872746027 OEQGICUUEMLIAZ-VKAVYKQESA-N 482.186 6.751 50 10 JKGE N#C/C(=C(/O)Cc1ccc(Br)cc1)c1nc(-c2ccc(Br)cc2)cs1 1872746424 HEEWCRCVVNORHY-VLGSPTGOSA-N 476.193 6.370 50 10 JKGE COc1ccc(CCN2C(=O)c3ccc(/C(O)=C(\C#N)c4nc(C(C)(C)C)cs4)cc3C2=O)cc1 1872747753 SGSSVUUAWMBZRW-LNVKXUELSA-N 487.581 5.238 50 10 JKGE N#C/C(=C(/O)c1ccc(N2CCCC2)c([N+](=O)[O-])c1)c1nc(-c2ccc3c(c2)OCCO3)cs1 1872750827 LVBCCPQJNBQSSM-QJOMJCCJSA-N 476.514 5.040 50 10 JKGE CCOc1ccc(OCC)c(-c2csc(/C(C#N)=C(\O)Cc3ccc(Cl)c(Cl)c3)n2)c1 1872754688 DRABWXVFGNOGML-FXBPSFAMSA-N 475.397 6.950 50 10 JKGE CCOC(=O)Oc1ccc(/C(O)=C(\C#N)c2nc(-c3cc(Cl)cc(C)c3OC)cs2)cc1 1872756954 JJUJCWBQNMCHCP-ZZEZOPTASA-N 470.934 6.266 50 10 JKGE Brc1cc([C@@H](Br)[C@H]2C[C@H](Br)C2)c(Br)s1 1893087767 FFKMHWPEBQIRIN-YQJDLUKNSA-N 467.846 5.883 50 10 JKGE O=S(=O)(c1cc(CCl)oc1Br)N(Cc1ccccc1)Cc1cccs1 1914881125 VYYAWGRSQXHZLK-UHFFFAOYSA-N 460.802 5.234 50 10 JKGE COc1ccc(CC[C@H](Br)c2sc(Br)c(C)c2Br)cc1 1922880156 CENPBTKMRGEHFY-LBPRGKRZSA-N 483.063 6.659 50 10 JKGE CC(C)(C)OC(=O)NCCSSCCNCc1cc(Br)c(Cl)s1 1985350937 XVWMTCSKRAMTGA-UHFFFAOYSA-N 461.900 5.160 50 10 JKGE COc1sc([C@H](Br)c2cc(Cl)ccc2Br)cc1Br 2034629120 KPBJNWACPIGHKG-LLVKDONJSA-N 475.427 6.419 50 10 JKGE BrCC(CBr)(Cc1csc(Br)c1)c1ccccc1 2084080573 RDNAIDDBRQZYER-UHFFFAOYSA-N 453.037 5.781 50 10 JKGE Clc1cc([C@H](Br)c2cc3sccc3s2)ccc1I 2084760800 WRPJVSHRHHMXHA-ZDUSSCGKSA-N 469.594 6.705 50 10 JKGE C[C@@H]1CCCN(Cc2ccc(Br)cc2Br)[C@H]1CCBr 2092264990 GAQJUJCCVGKCNN-ABAIWWIYSA-N 454.044 5.597 50 10 JKGE CCc1occ(C)c1[C@@H](Br)c1cc(Br)c(C)cc1Br 2096746073 XOIIRDWKBGFHNA-HNNXBMFYSA-N 450.996 6.468 50 10 JKGE Cl[C@@H](c1cc2c(cc1Br)OCCO2)c1cscc1OCc1ccccc1 2100088443 BHJHLRCJOQQHCV-FQEVSTJZSA-N 451.769 6.189 50 10 JKGE C[C@@H]1C[C@H](CCOc2c(Br)cc(Br)cc2CBr)CO1 2103051768 UEPHLBVIJYVLKY-ZJUUUORDSA-N 457.000 5.300 50 10 JKGE Cc1cc(Br)c(CBr)c(N(C)[C@@H]2CN(Cc3ccccc3)C(C)(C)C2)c1 2116804319 QKBVAXYUYFDCAW-SFHVURJKSA-N 480.288 6.142 50 10 JKGE Cc1cc(Br)c([C@H](Br)[C@@H]2CCC[C@@H]2C(C)C)cc1Br 2119979505 IQZPCGXYTIPGSQ-XHBSWPGZSA-N 453.056 7.028 50 10 JKGE Cc1cc(Br)c(C)c([C@H](Br)C2CC3(COC3)C2)c1Br 2136377662 QYINPKDDPXTLIS-CQSZACIVSA-N 453.012 5.691 50 10 JKGE Cc1cc(Br)c(C)c([C@@H](Br)[C@@H]2[C@H]3CCCC[C@H]32)c1Br 2136378889 GQWSAWSUGARCKM-PSHZPRKYSA-N 451.040 6.701 50 10 JKGE Cc1c(Br)ccc([C@H](Br)C2CC[C@H]3C[C@@H]3CC2)c1Br 2138859117 AGXPCHBMFWHIMY-MQIPJXDCSA-N 451.040 6.782 50 10 JKGE Brc1ccc([C@H](CI)OCCOC2CCCCC2)cc1 2143650842 RHYUUDTWRRRIFG-INIZCTEOSA-N 453.158 5.291 50 10 JKGE O=C(NC[C@H]1CCC[C@@H](CBr)C1)c1cccc(Br)c1Br 2148772516 YSXPKUIYZYHKMJ-MNOVXSKESA-N 468.027 5.143 50 10 JKGE O=[N+]([O-])c1cc(Br)c(OC[C@H](CBr)CC2CC2)c(Br)c1 2169174213 YACBYLXOODNELA-VIFPVBQESA-N 471.971 5.310 50 10 JKGE CCCC(CBr)(CCC)CN1CCN(C(=O)OC(C)(C)C)C[C@H]1C(F)(F)F 2186686008 YNQCDUGGNLDXME-HNNXBMFYSA-N 459.391 5.452 50 10 JKGE Cc1cc(Br)c(C)c([C@H](Br)c2ccc(F)c(F)c2)c1Br 2201070250 MXGIYLPVYCJMIA-OAHLLOKOSA-N 468.961 6.591 50 10 JKGE Cc1cc(Br)c([C@@H](Br)c2csnc2Br)c(C)c1Cl 2217612713 HOCHRPUAWCAQEG-JTQLQIEISA-N 474.443 6.423 50 10 JKGE Cc1cc(Br)c([C@@H](Br)c2cc(Br)c(Cl)cc2C)s1 2221820452 OSFYCXAQXQNPHI-LBPRGKRZSA-N 473.455 7.028 50 10 JKGE Cn1nc([C@H](Br)c2c(Br)cc(Cl)c(Cl)c2Cl)cc1Cl 2224324006 UKZIEKCTURJCLP-VIFPVBQESA-N 467.803 6.281 50 10 JKGE Cc1c(Br)sc([C@@H](Br)C2C[C@H]3CCC[C@H](C2)C3)c1Br 2225306979 YBKGJOLQPMZDOI-KWBADKCTSA-N 471.096 7.234 50 10 JKGE Fc1cc(Br)c(Br)cc1[C@H](Br)c1cccc(F)c1Cl 2225634980 SBOOSEYHIYLAGR-GFCCVEGCSA-N 475.352 6.628 50 10 JKGE COCc1cccc2c1nc([C@@H](C)Cl)n2CCCN(Cc1ccccc1)Cc1ccccc1 2228611346 BYUXTASZFMNAOG-JOCHJYFZSA-N 462.037 6.575 50 10 JKGE C[C@H]([C@H]1CCN(Cc2ccccc2)C1)n1c(CCl)nc2c(F)cc(Br)cc21 2232923306 LYUSQORPZBEULG-ZBFHGGJFSA-N 450.783 5.760 50 10 JKGE O=C(c1cc(Br)c(Br)s1)N1CC[C@@H]2[C@@H](Br)CCC[C@@H]2C1 2233739839 IGGLNXRMRIEHKR-UTLUCORTSA-N 486.067 5.299 50 10 JKGE Cc1sc([C@H](Br)c2c(Br)cc(Cl)c(Cl)c2Cl)c(C)c1C 2236841043 DPNPCFOYLZGHRV-LLVKDONJSA-N 477.476 7.880 50 10 JKGE COc1cc(F)c(CBr)c(N(CCN(C)Cc2ccccc2)Cc2ccccc2)c1 2243551129 ZCDJGDJBKANXKK-UHFFFAOYSA-N 471.414 5.868 50 10 JKGE Cc1nscc1C[C@@H](Br)c1ccc(Br)cc1I 2246948487 LQANIDMFTPSXQT-LLVKDONJSA-N 486.998 5.497 50 10 JKGE Fc1ccc([C@H](Cl)c2ccc(Cl)c(I)c2)cc1Br 2256338023 HAKPAOGFQVVGNR-ZDUSSCGKSA-N 459.911 6.174 50 10 JKGE O=C(NCC[C@@H]1CCCC[C@H]1Br)c1ccc(Cl)c(I)c1 2283660928 FDNXIVNMBKYBMO-CMPLNLGQSA-N 470.576 5.018 50 10 JKGE Fc1cc(Br)cc(F)c1CO[C@H](CI)c1ccccc1 2287182138 XPNMUPBEKBGYCC-OAHLLOKOSA-N 453.064 5.420 50 10 JKGE COc1cc(F)ccc1[C@H](Br)Cc1cc(Br)cc(Br)c1 2295333365 JKFSMWMLGGMHCM-CQSZACIVSA-N 466.970 6.038 50 10 JKGE COc1cccc(-c2csc(C(C#N)=CNc3cc4oc5ccccc5c4cc3OC)n2)c1 2295945663 LXZHFNZSVCDMQN-UHFFFAOYSA-N 453.523 6.703 50 10 JKGE COc1ccc(C[C@@H]2SC(=C(C#N)C(=O)Nc3cccc(C)c3C)N(c3ccccc3)C2=O)cc1 2296038042 BCUJIUAEEFONRN-VWLOTQADSA-N 483.593 5.377 50 10 JKGE CCOc1cc(C=C(C#N)c2nc3ccc(C)cc3[nH]2)cc(Cl)c1OCc1cccc([N+](=O)[O-])c1 2297369657 JXPRTVRFYMLEQL-UHFFFAOYSA-N 488.931 6.475 50 10 JKGE COc1ccccc1C=CC=NNC(=O)CSc1nc2ccccc2n1Cc1ccccc1Cl 2297459113 KCLOUHPONPBGQP-UHFFFAOYSA-N 491.016 5.654 50 10 JKGE Cc1ccc(Cl)cc1N1CCN(C(=O)C(C#N)=Cc2ccc(-c3ccccc3Cl)o2)CC1 2297631176 PSPIZTNFNZRJBQ-UHFFFAOYSA-N 466.368 5.818 50 10 JKGE COCc1ccc([C@H](Br)c2scc(Br)c2Br)s1 2299902480 UTMCIVMMEGBYIO-JTQLQIEISA-N 461.038 5.965 50 10 JKGE CCCc1sc(Br)cc1[C@@H](Br)c1csc(Br)c1 2300646709 RSJAEHSBKUYJNK-LBPRGKRZSA-N 459.066 6.771 50 10 JKGE CCOc1cc(C=C(C#N)c2ccccc2)cc(Br)c1OCc1ccccc1Cl 2313521491 RTQLSOWMHFFSTP-UHFFFAOYSA-N 468.778 7.144 50 10 JKGE Cc1ccc(NC(=O)C(C#N)=Cc2cc(Br)ccc2OCc2ccc(Cl)cc2)cc1C 2313730182 AUJAXCFTVHFWJA-UHFFFAOYSA-N 495.804 6.844 50 10 JKGE Brc1cc(OCc2ccccc2)ccc1[C@H](Br)C[C@@H]1CCC[C@H]2C[C@@H]12 2314442487 BWMYOZPAFCNXST-ZCLUNYJNSA-N 464.241 7.290 50 10 JKGE Cc1oc(C)c([C@H](Br)c2ccc(OCc3ccccc3)cc2Br)c1C 2314448401 HIYQTANZRPCHCI-OAQYLSRUSA-N 464.197 7.031 50 10 JKGE CCOC1CC(C[C@@H](Br)c2cc(Br)ccc2OCc2ccccc2)C1 2314449007 MJWGZVAQFXXMMZ-OUNSHVDWSA-N 468.229 6.669 50 10 JKGE Brc1ccc(OCc2ccccc2)c([C@H](Br)[C@@H]2C[C@@H]3CC[C@H](C2)O3)c1 2314487889 HRCODKDMSXIQGB-LNNXQNCSSA-N 466.213 6.422 50 10 JKGE Cc1ccc(Cl)c([C@@H](Br)c2cc(Br)ccc2OCc2ccccc2)c1 2314499609 DVSZWHYDQYOECE-OAQYLSRUSA-N 480.627 7.474 50 10 JKGE COC(=O)c1ccccc1NC(=O)C(C#N)=Cc1ccc(-c2cc(C(F)(F)F)ccc2Cl)o1 2314571238 CGXWUBVIFCTKND-UHFFFAOYSA-N 474.822 5.951 50 10 JKGE Cc1cccc(C[C@H]2SC(=C(C#N)C(=O)Nc3cccc(C)c3)N(c3ccc(C(C)C)cc3)C2=O)c1 2314592051 KTEUPQPQDDXNLK-HHHXNRCGSA-N 495.648 6.492 50 10 JKGE COc1ccccc1NC(=O)C(C#N)=C1S[C@H](Cc2ccccc2)C(=O)N1c1ccc(C(C)C)cc1 2314592319 QSBKQKVGWJVPDI-AREMUKBSSA-N 497.620 5.884 50 10 JKGE Fc1c(Br)cc(Cl)c([C@@H](Br)[C@@]23COC[C@@H]2C3)c1Br 2315453888 QZKISIAIFTXRPG-ZTWXUTTESA-N 463.366 5.477 50 10 JKGE Cc1c(Br)sc([C@@H](Br)[C@@H]2CO[C@]3(C)C[C@H]2C3)c1Br 2315922617 DSJNGRLRUXCLML-QKBQYUARSA-N 459.041 5.833 50 10 JKGE Cc1sc(C)c([C@@H](Br)c2c(Br)c(Br)nn2C)c1C 2316726351 NRIQKQDUDPCPLQ-SECBINFHSA-N 457.029 5.416 50 10 JKGE O=C(NN=Cc1cc(Cl)cc(Br)c1O)c1ccc(-c2ccc3ccccc3c2)s1 2325902034 RTRNENVUPFANOS-UHFFFAOYSA-N 485.790 6.454 50 10 JKGE COc1cc2nc(C(C#N)=Cc3cccc(OCc4ccc(F)cc4)c3)nc(O)c2cc1OC 2331039550 OYTVNXPVJIRUIK-UHFFFAOYSA-N 457.461 5.135 50 10 JKGE COc1ccc(-c2csc(C(C#N)=C(O)c3ccc4c(c3)C(=O)N(C(C)(C)C)C4=O)n2)cc1OC 2331242383 VSWLGZRIXXPVLE-UHFFFAOYSA-N 489.553 5.172 50 10 JKGE COc1ccc(-c2csc(C(C#N)=C(O)[C@@H](CC(C)C)N3C(=O)c4ccccc4C3=O)n2)cc1C 2331259066 GSVIQNNSXPFMQB-JOCHJYFZSA-N 487.581 5.631 50 10 JKGE CCCc1ccc(OCC(O)=C(C#N)c2nc(-c3ccc(Br)cc3)cs2)cc1 2331260454 KCVMXKHYTIETCI-UHFFFAOYSA-N 455.377 6.397 50 10 JKGE CCCCc1ccc(N2C[C@@H](C(O)=C(C#N)c3nc(-c4ccccc4Cl)cs3)CC2=O)cc1 2331267029 YUHDKEQHBZPBBZ-SFHVURJKSA-N 478.017 6.652 50 10 JKGE CCOc1ccc(-c2csc(C(C#N)=C(O)c3ccc(N4C(=O)c5ccccc5C4=O)cc3)n2)cc1 2331305381 WQTIZUAVMPWRFU-UHFFFAOYSA-N 493.544 5.959 50 10 JKGE COc1ccc(C(C)(C)C)cc1-c1csc(C(C#N)=C(O)c2cc([N+](=O)[O-])c(C)c([N+](=O)[O-])c2)n1 2331351099 QMSDWSWEGPWOAI-UHFFFAOYSA-N 494.529 6.191 50 10 JKGE N#CC(=C(O)C=Cc1ccc2c(c1)OCCO2)c1nc(-c2ccc(Oc3ccccc3)cc2)cs1 2331358759 KXQMDNKNEOENSD-UHFFFAOYSA-N 480.545 6.880 50 10 JKGE COc1cc(OC)c(-c2csc(C(C#N)=Cc3cc(Cl)c(O)c(OC)c3)n2)cc1Cl 2331472453 VGIMSBSCLOVJAS-UHFFFAOYSA-N 463.342 5.912 50 10 JKGE COCc1cccc([C@@H](Br)c2ccc(OCc3ccccc3)cc2Br)c1 2336042677 XOMQNHXIALPBNO-JOCHJYFZSA-N 476.208 6.659 50 10 JKGE Cc1cc([C@@H](Br)c2ccc(OCc3ccccc3)cc2Br)c(F)cc1F 2336082707 CLLNUXNRHCFZRQ-NRFANRHFSA-N 482.162 7.099 50 10 JKGE Cc1cc(Br)c([C@H](Br)c2c(Cl)sc(Cl)c2C)cc1Cl 2336093765 KVYGTITVBCXMPS-NSHDSACASA-N 463.449 7.572 50 10 JKGE Fc1ccccc1[C@@H](Br)c1c(Cl)cc(Br)c(F)c1Br 2337087645 BIAADZWYGXYRKU-LLVKDONJSA-N 475.352 6.628 50 10 JKGE COc1ccc(CBr)c(Oc2cc(Br)cc(I)c2)n1 2338884447 FLWSLWXQYJOJEX-UHFFFAOYSA-N 498.940 5.145 50 10 JKGE Cc1cc(OCc2ccc(Cl)cc2I)ncc1CBr 2340113380 VPVKTEPWALKTTO-UHFFFAOYSA-N 452.517 5.122 50 10 JKGE C[C@H]1CCCN(Cc2ccc(I)c(Br)c2)[C@H]1CCCl 2349830630 RBOHROXFEVXERY-NHYWBVRUSA-N 456.593 5.283 50 10 JKGE Clc1ccc(I)cc1CN(CCBr)c1ccccc1 2352423591 IWFIMJXVNGYNOW-UHFFFAOYSA-N 450.545 5.346 50 10 JKGE Cc1cc(Cl)c([C@H](Br)c2c(Cl)sc(Br)c2Cl)c(Cl)c1 2353075474 BDFBXCPBBHQSBQ-VIFPVBQESA-N 483.867 7.917 50 10 JKGE O=S1(=O)CCCC[C@H]1[C@@H](Cl)c1c(Cl)cc(Br)c(F)c1Br 2362223461 HYAIPOKSUOUDGV-GZMMTYOYSA-N 468.997 5.251 50 10 JKGE Cc1cc(Br)c(F)c(Br)c1[C@H](Br)CC1CCCCCC1 2365216246 SBPJNRINLJUAFN-GFCCVEGCSA-N 471.046 7.456 50 10 JKGE C[C@@H]1C[C@H]2C[C@]([C@H](Br)c3c(Br)cc(Cl)c(Cl)c3Cl)(C2)O1 2368713392 OICHCIKHOOYNPY-CHFCKMNRSA-N 463.424 6.803 50 10 JKGE C[C@@]1(NCc2ccc(I)c(Br)c2)C[C@H]2CC[C@H]1C[C@H]2Cl 2381108493 FVNOCIQMLNZSBR-FAXLKDOZSA-N 468.604 5.329 50 10 JKGE Cc1ccccc1C[C@@H]1S/C(=C(\C#N)C(=O)NCc2ccccc2)N(c2ccc(Cl)cc2)C1=O 935205 FFONBSFQDNWJHT-BSSRNLCFSA-N 488.012 5.391 50 10 JKGE CCOC(=O)/C(C#N)=C\c1ccc(OC(=O)/C(=C/c2ccccc2)c2ccccc2)c(OCC)c1 1911694 WDUPRWWBTSXOHB-KGOJTIBSSA-N 467.521 5.702 50 10 JKGE CCOC(=O)c1c(NC(=O)/C(C#N)=C/c2ccccc2OCc2ccccc2)sc2c1CCCC2 1925091 ODOFYPRQCBIROA-LTGZKZEYSA-N 486.593 5.928 50 10 JKGE COc1c(Cl)cc(Cl)cc1/C=N/NC(=O)c1cccc(NC(=O)c2ccc(C)cc2)c1 3112154 LTLNDQUPMXAYOU-LGJNPRDNSA-N 456.329 5.327 50 10 JKGE CC(C)CCOc1ccc(C(=O)NNC(=O)CCCOc2ccc(Cl)cc2Cl)cc1 14021791 IQLQPKDRWWGFAC-UHFFFAOYSA-N 453.366 5.039 50 10 JKGE Cc1cccc(NC(=O)/C(C#N)=C\c2cc(Cl)ccc2OCc2ccc(C(=O)O)cc2)c1C 33562454 LCCRBAFLZQWKLA-MTJSOVHGSA-N 460.917 5.780 50 10 JKGE COc1cc(/C=C(/C#N)c2nc3ccccc3[nH]2)cc(Cl)c1OCc1ccccc1Cl 33567081 DPVKIRJHWIXGEC-YVLHZVERSA-N 450.325 6.521 50 10 JKGE N#C/C(=C\c1cn(-c2ccccc2)nc1-c1ccccc1)c1nc(-c2ccc(Cl)cc2)cs1 35484950 LYIUUBJTUYRGLA-RCCKNPSSSA-N 464.981 7.380 50 10 JKGE CC(C)(C)c1ccc(OCC(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@@H]3c2cccc(Cl)c2)cc1 38651225 HIAQMLIEQYJWRJ-AREMUKBSSA-N 488.971 5.840 50 10 JKGE CCCCCOc1cccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4cccs4)ccc32)c1 38684799 XGTROXOXMVLMHT-DEOSSOPVSA-N 460.555 5.754 50 10 JKGE Cc1ccc([C@H]2C(C#N)=C3Sc4ccccc4N3C(N)=C2c2nc3ccccc3s2)cc1 39310740 NWAKCKYFEZYITH-QFIPXVFZSA-N 450.592 6.377 50 10 JKGE Cc1cccn2c(=O)c(/C=C(/C#N)C(=O)Nc3ccc(F)cc3)c(Oc3ccc(Cl)cc3)nc12 39858602 MRKOTKVPHLTXCH-SSZFMOIBSA-N 474.879 5.133 50 10 JKGE Cc1cc(C)cc(Oc2ncnc(NNC(=O)C(c3ccccc3)c3ccccc3)c2[N+](=O)[O-])c1 40582798 WWDXZFUILRDQJF-UHFFFAOYSA-N 469.501 5.069 50 10 JKGE COc1cc(/C=C(\C#N)C(=O)NCc2ccccc2)ccc1OC(=O)COc1ccc(C(C)(C)C)cc1 40870074 BQHLMHYPONYLMQ-XQNSMLJCSA-N 498.579 5.200 50 10 JKGE CCCNC(=O)/C(C#N)=C/c1ccc(OC(=O)CCCOc2ccc(C(C)C)cc2)c(OC)c1 40950105 OIEFEDRTLCBNBE-CJLVFECKSA-N 464.562 5.016 50 10 JKGE CCCCNC(=O)/C(C#N)=C/c1ccc(OC(=O)c2ccc(-c3ccccc3)cc2)c(OC)c1 40968641 USOGOECCMVPQEN-JJIBRWJFSA-N 454.526 5.405 50 10 JKGE CCCCCCCCCCCCCC(=O)NNC(=O)CCC(=O)Nc1ccc(Cl)cc1Cl 100443008 GNWGMKYLTAJWKL-UHFFFAOYSA-N 486.484 6.561 50 10 JKGE CCc1ccc(N2C(=O)[C@H](Cc3ccccc3F)S/C2=C(/C#N)C(=O)Nc2cccc(C)c2)cc1 101245388 ACINSERXQYULNB-IDJUBOEBSA-N 485.584 5.762 50 10 JKGE COc1cccc(N/C(SCc2ccccc2F)=C(\C#N)C(=O)NCc2cccs2)c1 105416034 YEYUBMSKTSBEEC-ATJXCDBQSA-N 453.564 5.293 50 10 JKGE CCO[C@H]1Oc2ccc([N+](=O)[O-])cc2C(=O)/C1=C/Nc1nc2cc(C)c(SC#N)cc2s1 109882080 HLVZLORZLIHCGB-VHNWJRSRSA-N 468.516 5.020 50 10 JKGE Cc1ccc([C@@H](Br)c2cc(Br)c(Br)s2)cc1Cl 128212266 IPENKAKMNYBAQI-LLVKDONJSA-N 459.428 6.719 50 10 JKGE Fc1cccc(Br)c1[C@@H](Cl)c1cc(Br)c(Br)s1 161221585 NEGIUDSPZLPFIE-JTQLQIEISA-N 463.391 6.503 50 10 JKGE COc1ccc([C@H](Br)c2csc3c(Br)cccc23)cc1Br 163506520 CUKJWWNWBARMNZ-HNNXBMFYSA-N 491.042 6.919 50 10 JKGE O=C(c1cc(Br)sc1Br)N(CCBr)C1CCCC1 232486985 OVFACTRWALCLLK-UHFFFAOYSA-N 460.029 5.053 50 10 JKGE COc1cc(F)c(Br)cc1[C@@H](Br)c1ccc(Cl)c(Br)c1 234865177 FPSHSNXABTYZDT-AWEZNQCLSA-N 487.388 6.497 50 10 JKGE O=C(N/N=C/c1ccccc1OCc1cccc(Br)c1)c1ccc2ccccc2c1 253563525 FNELPCLZEBQUSN-JVWAILMASA-N 459.343 5.945 50 10 JKGE O=C(CSc1nnc(-c2ccc3ccccc3c2)n1-c1ccccc1)NNc1ccc(F)cc1 253575305 ULLMEFLKRZHWIB-UHFFFAOYSA-N 469.545 5.462 50 10 JKGE O=C(NN=C(c1ccccc1)c1ccc([N+](=O)[O-])cc1)c1cc(-c2ccccc2)nc2ccccc12 254843367 OFBDHROAXLMTRR-UHFFFAOYSA-N 472.504 5.992 50 10 JKGE CC(=NNC(=O)CCC(=O)NN=C(C)c1ccc2ccccc2c1)c1ccc2ccccc2c1 257353781 TWLYCZPONZGVDO-UHFFFAOYSA-N 450.542 5.154 50 10 JKGE O=C(OCc1ccccc1)N1C[C@H](CBr)[C@H](c2ccc(Br)c(Cl)c2)C1 382695835 YVXDTLCLCZIYPW-HOTGVXAUSA-N 487.619 5.850 50 10 JKGE Cc1cc(Br)c([C@@H](Br)[C@H]2CC3CCC2CC3)cc1Br 388943956 AEEWWDTUEPYSTK-MDWCYXOMSA-N 451.040 6.782 50 10 JKGE C[C@H](Cl)c1nc2cc(I)ccc2n1CCCOCCOCc1ccccc1 390633872 LMKIDTCNCPWOQS-INIZCTEOSA-N 498.792 5.564 50 10 JKGE Fc1cc2c(cc1Br)nc(CCCl)n2C[C@H]1CCCN1Cc1ccccc1 390672541 WAEUVWYEUWVYMK-MRXNPFEDSA-N 450.783 5.384 50 10 JKGE Clc1cc([C@@H](Br)c2ccccc2OCc2ccccc2)c(Cl)c(Cl)c1Cl 404869915 XSZHZWJLOIQPLU-KRWDZBQOSA-N 491.039 8.364 50 10 JKGE CC(C)(C)OC(=O)NCCN1c2ccccc2CC[C@@H]1c1cccc(CO[Si](C)(C)C(C)(C)C)c1 616669698 UXBCBGKBQNRSFS-AREMUKBSSA-N 496.768 7.227 50 10 JKGE C[C@@H](Br)[C@@H]1CCCCN1C(=O)c1scc(Br)c1Br 688887559 PGHYFALTUMDMHV-APPZFPTMSA-N 460.029 5.051 50 10 JKGE Cl[C@@H](Cc1ccccc1Br)c1cc(Br)ccc1Br 692426597 PZPOVMIATZYUMH-AWEZNQCLSA-N 453.399 6.497 50 10 JKGE CC1(C)[C@@H](OCc2ccccc2)C[C@H]1n1c(CCl)nc2cc(I)c(F)cc21 718077588 KUVIHFOMIHVUFX-MOPGFXCFSA-N 498.767 6.075 50 10 JKGE O=C(NN=Cc1c2ccccc2cc2ccccc12)c1ccc(NC(=O)c2ccc([N+](=O)[O-])cc2)cc1 1083928599 IJXMGFYIQNOWJQ-UHFFFAOYSA-N 488.503 5.917 50 10 JKGE CC(=NNC(=O)CN(c1ccc(C)cc1C)S(=O)(=O)c1ccccc1)c1ccc(C(C)(C)C)cc1 1083965827 VUAXYRAZSVYYOE-UHFFFAOYSA-N 491.657 5.337 50 10 JKGE CCOc1ccc(C(=O)NN=Cc2c(OCc3ccc([N+](=O)[O-])cc3)ccc3ccccc23)cc1 1084048919 MEPMUZKNVBHXFG-UHFFFAOYSA-N 469.497 5.490 50 10 JKGE CCCCCCCCOc1ccc(C=NNC(=O)[C@H](C)Oc2ccc(Cl)cc2Cl)cc1 1084180373 BFXBMQNJMNBMJV-SFHVURJKSA-N 465.421 6.650 50 10 JKGE CCOc1ccc([C@@H](O)CCC(=O)NN=Cc2cc(C)n(-c3ccc4ccccc4c3)c2C)cc1 1084529794 VKPIUZXNDRURQQ-NDEPHWFRSA-N 469.585 5.610 50 10 JKGE CC(C)c1ccccc1OCC(=O)NN=Cc1cc(Br)ccc1OCc1ccccc1 1772753875 CZHJIRWDZQQEMD-UHFFFAOYSA-N 481.390 5.681 50 10 JKGE O=C(CSc1nc(-c2ccc(Cl)cc2)cs1)NN=Cc1ccc(OCc2ccccc2)cc1 1772755122 OICIOTOGXDCWRG-UHFFFAOYSA-N 494.041 6.285 50 10 JKGE COc1ccc(-c2nn(-c3ccccc3Cl)c3c2[C@H](c2ccc(Cl)cc2)C(C#N)=C(N)O3)cc1 1865682984 CIKFXXKTEIVPIF-JOCHJYFZSA-N 489.362 6.073 50 10 JKGE Cc1ccc(Cn2nc(-c3ccccc3)c3c2OC(N)=C(C#N)[C@@H]3c2ccc(Cl)c(Cl)c2)cc1 1865685059 DGZOJKMPLCTOBL-QHCPKHFHSA-N 487.390 6.432 50 10 JKGE CCc1nn(-c2cccc(Cl)c2)c2c1[C@H](c1c(OC)ccc3ccccc13)C(C#N)=C(N)O2 1865688081 IPKOJXWUBZHFNQ-QHCPKHFHSA-N 456.933 5.468 50 10 JKGE CCCCOc1ccc([C@H]2C(C#N)=C(N)Oc3c2c(C(F)(F)F)nn3-c2cccc(Cl)c2)cc1 1865690660 YGZDMHPKYDAJGJ-IBGZPJMESA-N 488.897 5.942 50 10 JKGE CCCOc1ccc([C@H]2C(C#N)=C(N)Oc3c2c(CC)nn3-c2cccc3ccccc23)cc1OCC 1865691371 QEWSQLRTTRBZTM-MHZLTWQESA-N 494.595 5.994 50 10 JKGE CCCOc1c(OC)cccc1[C@H]1C(C#N)=C(N)Oc2c1c(CC)nn2Cc1cccc(Cl)c1 1865693420 OEFWEJDCGZOMDM-QFIPXVFZSA-N 478.980 5.163 50 10 JKGE CCCOc1ccc([C@H]2C(C#N)=C(N)Oc3c2c(-c2ccccc2)nn3Cc2ccc(C)cc2)cc1 1865693511 KGBILSURFUFMTM-SANMLTNESA-N 476.580 5.914 50 10 JKGE Cn1cc([C@H]2C(C#N)=C(N)Oc3c2c(-c2ccccc2)nn3-c2cccc(Cl)c2)c2ccccc21 1865699537 WLFFYTNAYPYVGM-XMMPIXPASA-N 477.955 5.903 50 10 JKGE COc1cccc([C@@H]2C(C#N)=C(N)Oc3c2c(-c2ccccc2)nn3Cc2ccccc2Cl)c1OC 1865700708 BNXOYNHKBBTDFK-HSZRJFAPSA-N 498.970 5.487 50 10 JKGE N#CC1=C(N)Oc2c(c(-c3ccccc3)nn2-c2ccccc2Cl)[C@H]1c1ccc(C(F)(F)F)cc1 1865711386 XAMKNYDDPKHMTF-NRFANRHFSA-N 492.888 6.430 50 10 JKGE CCCc1nn(-c2ccccc2)c2c1[C@H](c1cccc(OCc3ccccc3)c1)C(C#N)=C(N)O2 1865712062 OVUBMOQPNPJFDN-AREMUKBSSA-N 462.553 5.622 50 10 JKGE CCc1nn(Cc2c(F)cccc2Cl)c2c1[C@@H](c1ccc(Br)cc1)C(C#N)=C(N)O2 1865714996 SKKZDNAKFCMOIF-IBGZPJMESA-N 487.760 5.267 50 10 JKGE CCOC(=O)c1c(-c2ccc(F)cc2)csc1NC(=O)/C(C#N)=C/c1ccc(OC)cc1 1866126318 KEIIEOSLOAVHEH-SFQUDFHCSA-N 450.491 5.285 50 10 JKGE COc1ccc([C@@H](C(=O)N[C@@H](C(=O)Nc2ccc(SC#N)cc2)c2ccccc2)C(C)C)cc1 1866981963 YTEZJYFKSWPJLS-LOSJGSFVSA-N 473.598 5.504 50 10 JKGE CCc1nc(Nc2ccc(SC#N)cc2)cc(N2CCc3ccccc3[C@H]2c2ccc(OC)cc2)n1 1868278238 XEJPZDOXUOGSCY-GDLZYMKVSA-N 493.636 6.516 50 10 JKGE N#C/C(=C\c1c(OCc2ccc(F)cc2)ccc2ccccc12)S(=O)(=O)c1ccc(Cl)cc1 1872727304 OALPCQYKDGYVOC-HZHRSRAPSA-N 477.944 6.550 50 10 JKGE COc1cc(C)c(-c2csc(/C(C#N)=C(\O)COc3c(C)ccc(C)c3C)n2)cc1C(C)C 1872753931 VETXRENVSOGEES-GYHWCHFESA-N 462.615 7.047 50 10 JKGE N#C/C(=C(/O)CCCOc1ccc2ccccc2c1)c1nc(-c2cc(Cl)ccc2Cl)cs1 1872758720 NBVGGTITGFNCLD-FLFQWRMESA-N 481.404 7.922 50 10 JKGE CCOc1cc(/C=C(\C#N)c2nc(-c3cc(C)ccc3C)cs2)ccc1OCC(=O)N(CC)CC 1872790734 BQLWOUJDROTLPI-HYARGMPZSA-N 489.641 6.137 50 10 JKGE CCCOc1ccc(-c2csc(/C(C#N)=C(O)/C=C/c3ccc(OCC)cc3)n2)cc1OCCC 1872818170 PYGRJGOEUMOPDK-JPZPWVHPSA-N 490.625 7.292 50 10 JKGE CCc1cccc(CC)c1N1C[C@@H](/C(O)=C(\C#N)c2nc(-c3cccc([N+](=O)[O-])c3)cs2)CC1=O 1873940872 LKIIDFXAFVTVEH-GYGWLHPRSA-N 488.569 5.689 50 10 JKGE Brc1ccc(I)cc1SCCCCI 1887827432 FULOFAHJSXHRMD-UHFFFAOYSA-N 496.977 5.361 50 10 JKGE Cc1scc(C(=O)N(Cc2ccccc2)C2(CBr)CCC2)c1Br 1902872462 QTICINLCMWMLFD-UHFFFAOYSA-N 457.231 5.779 50 10 JKGE CC(C)[C@@H](Cc1ccc(I)c(Br)c1)[C@H](C)Br 1904322575 QSGDDVSXVDJOBA-GXSJLCMTSA-N 459.991 5.652 50 10 JKGE CC[C@@H](Br)CN(Cc1ccccc1)C(=O)c1cccc(F)c1I 1915114447 HJDNIKAOUUIFMQ-CQSZACIVSA-N 490.154 5.246 50 10 JKGE Cc1c(Br)cccc1C(=O)N(Cc1ccccc1)[C@@H](CBr)C1CC1 1915276282 NBHPIQSKKCVXER-IBGZPJMESA-N 451.202 5.573 50 10 JKGE O=C(c1cc(Br)c(Br)s1)N1CC[C@]2(CCC[C@@H]2Br)C1 1918917267 RVGMKIRDYKQCDM-GXFFZTMASA-N 472.040 5.053 50 10 JKGE Cc1c(Br)sc([C@H](Br)c2cc(Cl)cc(F)c2F)c1Br 1922907190 RBAGRBZLPWQLDS-SECBINFHSA-N 495.408 6.997 50 10 JKGE COc1ccccc1C[C@@H](Br)c1c(Br)sc(Br)c1Cl 1923068508 SKHHLWYVTVILIT-MRVPVSSYSA-N 489.454 6.614 50 10 JKGE CC[C@@H]1OCC[C@@H]1[C@H](Cl)c1c(Br)sc(Br)c1Br 1924583237 HOYWVBKAZCOTSA-WATHFIQWSA-N 467.448 6.131 50 10 JKGE C[C@H](CC(C)(C)C)[C@@H](Cl)c1c(Br)sc(Br)c1Br 1924613044 PUOIFMMLOXOVGA-HZGVNTEJSA-N 467.492 7.388 50 10 JKGE Cl[C@H](c1c(Br)sc(Br)c1Br)[C@@]12CCCC[C@H]1OCC2 1924616819 TXYPIRSFVLDVCV-XBURVNOZSA-N 493.486 6.665 50 10 JKGE Fc1cc(Br)cc(N(Cc2ccccc2)Cc2cccs2)c1CBr 2004047473 OPUNFEHAZZZLAC-UHFFFAOYSA-N 469.217 6.751 50 10 JKGE C[C@]12C[C@]([C@@H](Cl)c3c(Br)sc(Br)c3Br)(CO1)C2 2023847721 VVDQBAKVZVZOFF-SWPVVBRQSA-N 465.432 5.885 50 10 JKGE Cc1c(CCl)cc(Cl)cc1S(=O)(=O)N(CCN(C)Cc1ccccc1)Cc1ccccc1 2034752842 SXXVCEHTQDSQSA-UHFFFAOYSA-N 491.484 5.710 50 10 JKGE CN(c1cc(Br)ccc1CBr)[C@H]1CC(C)(C)[C@@H]1OCc1ccccc1 2038795200 RPLFAISSFLEAHA-VQTJNVASSA-N 467.245 6.164 50 10 JKGE Cc1c(Br)cccc1[C@H](Cl)c1ccc(Br)cc1Br 2083322184 SBAVSGPDNNBOBP-AWEZNQCLSA-N 453.399 6.611 50 10 JKGE Clc1cc([C@@H](Br)c2ncn3ccsc23)ccc1I 2083981501 AZHMDBHBEHRHOF-SNVBAGLBSA-N 453.530 5.138 50 10 JKGE Cc1ccccc1C[C@H](Br)c1ccc(Br)cc1I 2086146044 UUAQRRVQEHYFMP-AWEZNQCLSA-N 479.981 6.041 50 10 JKGE BrCc1c(Br)cccc1N1CCC[C@H]1[C@H]1CCN(Cc2ccccc2)C1 2089000711 ORYIHVPWBUWBSE-RXVVDRJESA-N 478.272 5.835 50 10 JKGE Brc1ccc(CN2CC[C@@H]3C[C@H](Br)CC[C@@H]32)c(Br)c1 2092262066 WHHJJNQLDZBQDG-HCKVZZMMSA-N 452.028 5.350 50 10 JKGE Cl[C@H](c1c(Br)sc(Br)c1Br)[C@@H]1CCn2nccc2C1 2108966950 WHXZJPGYVLYBRP-LDWIPMOCSA-N 489.458 5.775 50 10 JKGE Clc1c(Br)sc(Br)c1[C@@H](Br)[C@H]1CCn2ncnc2C1 2108969866 REQKTTLEQDIKRZ-XNCJUZBTSA-N 490.446 5.217 50 10 JKGE C[C@@H](Cl)c1nc2cc(Cl)c(Br)cc2n1C(C)(C)COCc1ccccc1 2112695801 JZAZKEHYIVZHGR-CYBMUJFWSA-N 456.211 6.704 50 10 JKGE Fc1ccccc1[C@H](Br)CCc1ccc(Br)cc1Br 2113381139 GWCZAJOOBNWNDG-CYBMUJFWSA-N 450.971 6.420 50 10 JKGE Fc1c(Cl)ccc(Br)c1C[C@@H](Br)c1ccccc1Br 2113445261 UMENAKRBRQMVKK-GFCCVEGCSA-N 471.389 6.683 50 10 JKGE Fc1cc(OCc2cc(Br)ccc2Br)ccc1CBr 2118520300 SNBVSMAWLGTQKP-UHFFFAOYSA-N 452.943 5.825 50 10 JKGE Brc1cc2c(c([C@@H](Br)c3cc(Br)sn3)c1)OCCC2 2120033407 SRJPMBVKKIMTPD-GFCCVEGCSA-N 468.008 5.477 50 10 JKGE C[C@H](Br)C[C@H]1CCCCCN1Cc1c(Br)cccc1Br 2150495592 NJEAFJHANRLUPJ-QWHCGFSZSA-N 468.071 6.130 50 10 JKGE COCC1(COC)C[C@H](Br)[C@H](c2c(Br)cccc2Br)C1 2190808949 BWTZISYXXICGIK-MFKMUULPSA-N 471.027 5.132 50 10 JKGE CC(C)(C)OC(=O)NC[C@H]1C[C@H]([S@](C)(=O)=NCC2(CBr)CCCCCC2)C1 2192623433 FZXSOUWBNWMJFI-FXUCQVAHSA-N 465.498 5.123 50 10 JKGE CC[C@H](N)Cc1cc(Br)cc(Br)c1OC[C@H]1C[C@@H](Br)C1 2196936263 BZRLCABZLYQYPX-NDMJEZRESA-N 470.043 5.044 50 10 JKGE CCCCCc1ccc([C@@H](Cl)c2cc(Br)ccc2I)s1 2197256560 OUWILENPIINYMZ-INIZCTEOSA-N 483.640 7.176 50 10 JKGE Cc1cc(Br)c(C)c([C@H](Br)C[C@H]2CC(C)(C)CO2)c1Br 2201066130 XDIVNMKBLKBIBS-WCQYABFASA-N 469.055 6.470 50 10 JKGE Cc1cc(Br)c(C)c([C@@H](Br)C(F)(F)[C@H]2CCOC2)c1Br 2201074306 QZZDJPFPOZUMKK-TVQRCGJNSA-N 476.981 5.936 50 10 JKGE COc1ccc(Br)cc1[C@H](Br)c1cc(Br)c(Cl)cc1C 2202351884 KVBOEELVQHMLBV-OAHLLOKOSA-N 483.425 6.666 50 10 JKGE C[C@H](c1ccccc1)[C@@H](Br)c1cc(Br)c(Br)cc1F 2225615046 BYHTUXBCSDPMEG-RFAUZJTJSA-N 450.971 6.590 50 10 JKGE Clc1cc([C@@H](Br)Cc2ccc(Br)cc2Cl)ccc1Br 2229149908 IFAUFVLYGJOSLF-LBPRGKRZSA-N 487.844 7.197 50 10 JKGE Clc1cc(Br)c([C@H](Br)[C@@H]2CC3CCC2CC3)c(Cl)c1Cl 2232514349 UTLUTVNAVBLWSI-KCPFVSANSA-N 461.452 7.672 50 10 JKGE Fc1ccc([C@@H](Br)c2c(Br)cc(Cl)c(Cl)c2Cl)c(Cl)c1 2232515117 ZAFSALHSXPIRPK-LLVKDONJSA-N 481.801 7.686 50 10 JKGE Clc1cc(Br)c([C@H](Br)[C@@H]2CC[C@H]3C[C@H]3CC2)c(Cl)c1Cl 2232521459 TWVYAJQBNUMCQA-LOKDSWTASA-N 461.452 7.672 50 10 JKGE Cc1c(Br)ccc([C@H](Br)[C@@H]2OC[C@@H]3CCCC[C@@H]32)c1Br 2233185195 DSVFLUIJPMNLKN-KUDNYVPYSA-N 467.039 6.161 50 10 JKGE Brc1ccc(Br)c(CN2CC[C@@H]3[C@@H](Br)CCC[C@H]3C2)c1 2233818962 CMDLETYHDJGKGF-PJODQICGSA-N 466.055 5.597 50 10 JKGE COCC1([C@@H](Br)c2cc(Br)c(Br)cc2F)CCCCC1 2233978054 YMEAPJJDUZJFLO-AWEZNQCLSA-N 473.018 6.384 50 10 JKGE CCn1cc([C@H](Br)c2c(F)cc(F)c(Br)c2F)nc1Br 2236114595 MCXGUHDTIZHTLR-JTQLQIEISA-N 476.916 5.330 50 10 JKGE Fc1ccc(I)cc1[C@H](Cl)c1ccc2c(c1Br)CCO2 2238059846 JZLBFPJDQOZFHQ-OAHLLOKOSA-N 467.503 5.456 50 10 JKGE BrC[C@@H]1C[C@H]2CCCC[C@@H]2N1Cc1c(Br)cccc1Br 2240672612 GKCYXWIWYCYECM-WQGACYEGSA-N 466.055 5.740 50 10 JKGE CC(C)(C)OC(=O)N1CCC[C@](CBr)(OCc2cc(Br)ccc2Cl)C1 2263389894 VGIUBGPJYZTPRD-GOSISDBHSA-N 497.655 5.784 50 10 JKGE COC1([C@H](Br)c2ccc(Br)c(C)c2Br)CC(CF)C1 2266350359 RNSRISAZNQJZBM-JRZRUSQNSA-N 458.991 5.721 50 10 JKGE Cc1ccc(I)c([C@H](Br)Cc2ccc(Cl)c(F)c2)c1 2277787902 UWGXHBBSVVQLGV-GFCCVEGCSA-N 453.520 6.071 50 10 JKGE CCc1nc([C@@H](Br)c2cc(Cl)c(Cl)cc2OC)c(Br)s1 2279052090 KCYPNUARAIWEFJ-NSHDSACASA-N 460.018 6.268 50 10 JKGE CC1=C(C=C[C@@H](C)C=NNC(=O)c2[nH]c3ccc(Cl)cc3c2-c2ccccc2)C(C)(C)CCC1 2294953858 CVFWIKZCLRWJCE-LJQANCHMSA-N 474.048 7.923 50 10 JKGE CC(C)OC(=O)Oc1ccc(C=C(C#N)C(C#N)=Cc2ccc(OC(=O)OC(C)C)cc2)cc1 2295182057 VWZUTFNCBGWYMX-UHFFFAOYSA-N 460.486 6.048 50 10 JKGE COc1c(Br)cc(Cl)cc1[C@H](Cl)c1cc(C)ccc1I 2295279964 UZUUWPJNSGIKIK-CQSZACIVSA-N 485.974 6.352 50 10 JKGE Brc1cc(Br)cc(C[C@H](Br)[C@@H]2C[C@H]2C2CCCCC2)c1 2295334129 SBANQPHOOWWMJN-BBWFWOEESA-N 465.067 6.734 50 10 JKGE CC(C)N1CC(=Cc2ccc(Cl)cc2)C2=C(C1)[C@H](c1ccc(Cl)cc1)C(C#N)=C(N)O2 2297504911 SDVIFSNPLNJRHI-HSZRJFAPSA-N 452.385 5.863 50 10 JKGE Cc1cc(C)c([C@H](Br)c2ccc(OCc3ccccc3)cc2Br)s1 2299491937 GYSDMCIFNUVEHW-LJQANCHMSA-N 466.238 7.191 50 10 JKGE CC[C@@H](CC(C)C)[C@@H](Br)c1cc(Br)ccc1OCc1ccccc1 2299501664 QDKRKPCWIRUHOC-LAUBAEHRSA-N 454.246 7.536 50 10 JKGE CC1(C)[C@H]([C@@H](Br)c2cc(Br)ccc2OCc2ccccc2)C1(F)F 2299529866 GSHAQQOMIHMOOV-IRXDYDNUSA-N 460.156 6.755 50 10 JKGE Cc1ccccc1NC(=O)C(C#N)=Cc1cc(Cl)ccc1OCc1cccc2ccccc12 2313540917 CHCPIOYMBJHKQZ-UHFFFAOYSA-N 452.941 6.926 50 10 JKGE Cc1ccc(NC(=O)C(C#N)=Cc2cc(Br)ccc2OCc2ccc([N+](=O)[O-])cc2)cc1 2313570724 DWBUJXAFLUWDII-UHFFFAOYSA-N 492.329 5.790 50 10 JKGE Cc1ccc(NC(=O)C(C#N)=C2S[C@@H](Cc3ccccc3C)C(=O)N2c2ccc(C)c(C)c2)cc1 2314591930 HXJFJONXCDQZRA-SANMLTNESA-N 481.621 5.985 50 10 JKGE COCc1ccccc1[C@@H](Br)c1sc(Cl)cc1I 2316597897 XNUKWURNLGYFNB-GFCCVEGCSA-N 457.558 5.637 50 10 JKGE FC1(F)[C@@H]([C@H](Br)c2sc(Cl)cc2I)C12CCCC2 2316604745 CAGPFYOMMMUFEE-SCZZXKLOSA-N 467.544 6.268 50 10 JKGE Cc1ccc2nc(-c3ccc(NC=C(C#N)C(=O)Nc4ccc(Cl)c([N+](=O)[O-])c4)cc3)sc2c1 2325216107 FKIIZDRDMMALHA-UHFFFAOYSA-N 489.944 6.291 50 10 JKGE FC1(F)[C@H]2C[C@H]([C@@H](Br)c3cc(Br)ccc3Br)CC[C@H]21 2329711293 FBCLDUUGYMYHJG-DRYIUFOISA-N 458.966 6.329 50 10 JKGE C[C@H](Oc1ccc(Cl)cc1Br)C(O)=C(C#N)c1nc(-c2ccc(F)c(F)c2)cs1 2331351850 GVGRZNYSBQLZCC-JTQLQIEISA-N 497.748 6.764 50 10 JKGE COc1cc(OC)c(-c2csc(C(C#N)=C(O)COc3cc(Cl)ccc3Cl)n2)cc1Cl 2331378597 FXEIZUNYNRQTKT-UHFFFAOYSA-N 497.787 6.659 50 10 JKGE Cc1ccc(C(C)(C)C)cc1-c1csc(C(C#N)=C(O)C=Cc2ccc(Cl)c(Cl)c2)n1 2331396313 KUALQUXEAODVOV-UHFFFAOYSA-N 469.437 8.229 50 10 JKGE COc1ccccc1OCC(O)=C(C#N)c1nc(-c2cc(Cl)c(OC)c(Cl)c2)cs1 2331398029 WGZDUNSBDVNGAT-UHFFFAOYSA-N 463.342 6.006 50 10 JKGE CCN(Cc1ccccc1)c1ccc(C=C(C#N)c2nc(-c3ccc(C(C)(C)C)cc3)cs2)cc1 2331453541 DGAZQYBXOQSJTA-UHFFFAOYSA-N 477.677 8.198 50 10 JKGE N#CC(=Cc1ccccc1OCc1ccccc1Cl)c1nc(-c2ccc3c(c2)OCO3)cs1 2331453916 YWWDMAVTRFOVPS-UHFFFAOYSA-N 472.953 6.835 50 10 JKGE COc1cc(C=C(C#N)c2nc(-c3c(C)cc(C)cc3C)cs2)cc(Br)c1O 2331477274 DMGCOIGZDTVWAL-UHFFFAOYSA-N 455.377 6.276 50 10 JKGE Fc1cc(Br)c(Br)cc1[C@H](Br)[C@H]1CC[C@@H]2C[C@H]1CO2 2334115175 GIGNQAKEORNZII-RSVXVWGFSA-N 456.975 5.602 50 10 JKGE Fc1cc(Br)c(F)c(Br)c1[C@@H](Br)[C@H]1C[C@@H]2CC[C@H]1C2 2334739494 GQFDDRAZVVEDKA-VXDIOVFMSA-N 458.966 6.362 50 10 JKGE Fc1cc(Br)c(F)c(Br)c1[C@@H](Br)[C@@]12CCC[C@@H]1CC2 2334776549 RDGKJDSXLRGMSS-HGDANNRKSA-N 458.966 6.506 50 10 JKGE COc1ccc([C@H](Br)c2cnsc2Br)c(OC)c1Br 2337303554 JECVYXUTZRVQEQ-VIFPVBQESA-N 471.996 5.170 50 10 JKGE Cc1cc(Br)c(F)c(Br)c1[C@H](Br)C1C(C)(C)C1(C)C 2339645207 GDYFBRAEMIITGY-NSHDSACASA-N 457.019 6.777 50 10 JKGE CCO[C@@H]1C[C@H]1[C@@H](Br)c1c(C)cc(Br)c(OC)c1Br 2339652791 CGUIHLFRYFXHEB-HLUHBDAQSA-N 457.000 5.390 50 10 JKGE CC(C)n1ncc(Br)c1CC(CBr)(CBr)C1CCC1 2342233763 ZXNCWHLRZIIBRE-UHFFFAOYSA-N 457.048 5.345 50 10 JKGE C[C@H](Br)C12CCC(CC1)N2Cc1cc(I)ccc1Cl 2352409043 CKFQOQBLPGOFTN-KKJMOOEGSA-N 454.577 5.225 50 10 JKGE COC[C@@H]1CC[C@@H](Cc2cc(I)ccc2Cl)C[C@@H]1Br 2352444040 NBCMAQBUNMLOJH-MJVIPROJSA-N 457.577 5.313 50 10 JKGE Cc1ccc(CBr)c(OCc2sc(Cl)cc2Br)c1Br 2352945201 SDSCUXKUEHQWSV-UHFFFAOYSA-N 489.454 6.709 50 10 JKGE Fc1cc(CBr)c(Oc2c(Cl)cc(Br)cc2Cl)cc1Cl 2362463156 ZPNGIZUZRZXGRC-UHFFFAOYSA-N 463.355 7.236 50 10 JKGE CC(C)(CO[C@@]1(CI)CCCN(C(=O)OC(C)(C)C)C1)Cc1ccccc1 2364249415 RWWMMROAYKRQLX-JOCHJYFZSA-N 487.422 5.477 50 10 JKGE C=CC[C@@]1(CBr)CCCCN1Cc1cc(I)ccc1Cl 2380514507 CWAFCTXXIHHLEA-INIZCTEOSA-N 468.604 5.640 50 10 JKGE O=C(NC1CCCCC1)[C@@H](c1ccc(F)cc1)N(CCc1ccc(Cl)cc1)C(=O)CCl 3038342 YRXZLBJYGLQBDN-HSZRJFAPSA-N 465.396 5.279 50 10 JKGE N#C/C(=C/C1=C(N2CCOCC2)/C(=C\c2ccc(Cl)cc2)CC1)C(=O)Nc1ccccc1F 33688531 WYIWEKXQKQANMX-FZBYNPQBSA-N 463.940 5.331 50 10 JKGE N#C/C(=C/c1ccccc1OCc1cccc2ccccc12)C(=O)Nc1cc([N+](=O)[O-])ccc1F 33930427 QQCKNTLSFPIRJJ-STZFKDTASA-N 467.456 6.012 50 10 JKGE Cc1cccc(OCC(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@@H]3c2ccc(C(C)C)cc2)c1C 38649596 LFPZZRNSYNDBHI-MUUNZHRXSA-N 468.553 5.629 50 10 JKGE CCCOc1ccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)COc4c(C)cccc4C)ccc32)cc1 38650659 SVHXWXXCVTVJEZ-HHHXNRCGSA-N 484.552 5.295 50 10 JKGE CCCOc1ccc(C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@@H]3c2ccc(OCCC)cc2)cc1 38650661 BLQRLEVQGIXCKO-HHHXNRCGSA-N 484.552 5.702 50 10 JKGE CCCCCOc1ccc(C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@H]3c2ccccc2Cl)cc1 38651036 PVKDJIMNVXZNDG-SANMLTNESA-N 488.971 6.346 50 10 JKGE CC(C)(C)c1ccc(OCC(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@H]3c2ccc(Cl)cc2)cc1 38651388 QDHPNPCXWWZBKZ-SANMLTNESA-N 488.971 5.840 50 10 JKGE CCc1ccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4ccccc4Br)ccc32)cc1 38676847 BLCKKNUPGVZYFK-QHCPKHFHSA-N 475.342 5.449 50 10 JKGE Cc1c(C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@H]3c2ccccc2Cl)oc2ccc(F)cc12 38687645 BQAYICUMRJJSNA-QHCPKHFHSA-N 474.875 5.971 50 10 JKGE Cc1ccccc1NC(=O)/C(C#N)=C\c1c(Oc2ccc(C(C)(C)C)cc2)nc2c(C)cccn2c1=O 39858521 DXMQRNCNAMQWEW-FXBPSFAMSA-N 492.579 5.947 50 10 JKGE O=C(NNc1ncnc(Nc2ccc(Cl)c(C(F)(F)F)c2)c1[N+](=O)[O-])c1ccccc1Cl 40658296 OEMACXXEVDVXOA-UHFFFAOYSA-N 487.225 5.211 50 10 JKGE Cc1c(C(=O)Nc2ccc(Cl)c(Cl)c2)oc2c1/C(=N/NC(=O)c1ccc(F)cc1)CCC2 40811896 NBCNJFRPEMWRIW-MTDXEUNCSA-N 474.319 5.757 50 10 JKGE COc1cccc(C(=O)N/N=C2\CCCc3oc(C(=O)Nc4cccc5ccccc45)c(C)c32)c1 40822322 GLKBYVYCZGHRJS-JJKYIXSRSA-N 467.525 5.473 50 10 JKGE CCOc1cc(/C=C(\C#N)C(=O)NCc2ccco2)ccc1OC(=O)COc1ccc(C(C)C)cc1 40929668 PVZBMXVZUVKRGL-HYARGMPZSA-N 488.540 5.009 50 10 JKGE CC(C)(C)c1ccc(OCCCC(=O)N/N=C/c2ccc(Cl)cc2Cl)c(Br)c1 40951354 SCURCOBGTNWCIZ-DHRITJCHSA-N 486.237 6.363 50 10 JKGE CCOc1ccc([C@H](O)CCC(=O)N/N=C/c2cc(C)n(-c3ccc(Cl)cc3)c2C)cc1 58892723 HZOLXBSTCFBEBQ-UJBXUPAJSA-N 453.970 5.110 50 10 JKGE COc1cc(/C=C(\C#N)C(=O)Nc2cccc([N+](=O)[O-])c2)ccc1OCc1ccc(Cl)cc1 59254963 ZRTTXQKOYWQRMW-WOJGMQOQSA-N 463.877 5.381 50 10 JKGE CCOc1ccc2ccccc2c1/C=C(\C#N)C(=O)Nc1c(C)nn(Cc2ccccc2)c1C 59858043 OLKGYGDOYIXFPF-XQNSMLJCSA-N 450.542 5.646 50 10 JKGE FC(F)Oc1ccc([C@@H](Br)c2cc(Br)sc2Br)cc1 104025445 ZMSITOPQSHDCML-SNVBAGLBSA-N 476.962 6.359 50 10 JKGE Brc1cc([C@@H](Br)c2ccc3c(c2)COC3)c(Br)s1 111306763 DCIVJRFNZRTBML-LBPRGKRZSA-N 452.993 5.788 50 10 JKGE COc1c(Br)cc(Cl)cc1[C@H](Br)c1cc(Br)ccc1C 115746753 GXSMKCWRYBRPJT-CQSZACIVSA-N 483.425 6.666 50 10 JKGE Brc1ccc(Br)c([C@@H](Br)CC23CC4CC(CC(C4)C2)C3)c1 124377900 MQBNBRLFNXYEOP-OKDIFOJXSA-N 477.078 7.254 50 10 JKGE Brc1cc([C@H](Br)[C@@H]2COc3ccccc32)sc1Br 128204528 KCDLDUWNFFKMSI-PRHODGIISA-N 452.993 5.885 50 10 JKGE CC[C@@H](c1ccccc1)[C@H](Br)c1cc(Br)c(Br)s1 128294371 YZKICVAOEHHUAY-GWCFXTLKSA-N 453.037 6.903 50 10 JKGE Cc1cc(Br)cc([C@H](Br)c2cc(Br)cc3c2OCC3)c1 132032641 VMZXWWRSIOQURV-HNNXBMFYSA-N 460.991 5.939 50 10 JKGE CCCCCCCCCCCCCCCC(=O)Nc1ccc(C(=O)CBr)cc1 147812878 IAZAOYJQCZJALJ-UHFFFAOYSA-N 452.477 7.684 50 10 JKGE CCCC[C@@H](CC)CO[C@](C)(CI)c1ccccc1Br 162154873 OLDVEWAHNGUPDD-RHSMWYFYSA-N 453.202 6.332 50 10 JKGE CCCCNC(=O)/C(C#N)=C/c1ccc(OC(=O)/C=C\c2ccc(OCCCC)cc2)c(OC)c1 207122066 UAHLAOFLWXLUIB-ADZFSCMVSA-N 476.573 5.316 50 10 JKGE COc1ccc([C@@H](Cl)c2cc(Br)c(Br)s2)c(OC)c1Cl 224632330 NEZXAAQVEPKSRC-SNVBAGLBSA-N 461.002 6.272 50 10 JKGE Fc1cc(Br)cc([C@@H](Br)c2cc(Br)c(Cl)s2)c1 227848458 HBJLDEDVTISPER-SNVBAGLBSA-N 463.391 6.550 50 10 JKGE Clc1c(Br)cccc1[C@@H](Br)Cc1ccc(Br)cc1 228457493 JBAZNXKGCRTWDY-ZDUSSCGKSA-N 453.399 6.544 50 10 JKGE Clc1c(Br)cccc1[C@@H](Br)Cc1cccc(Br)c1 228457719 WKALGFDPPYVERE-ZDUSSCGKSA-N 453.399 6.544 50 10 JKGE CCOc1ccc([C@H](Cl)c2csc(I)c2)cc1Br 228989688 AVUQDVCNTMDMOL-ZDUSSCGKSA-N 457.558 5.842 50 10 JKGE CCOc1ccc([C@@H](Br)c2cc(I)ccc2Br)cc1 233818950 VYXJBRYFGXJZAN-OAHLLOKOSA-N 495.980 5.937 50 10 JKGE COc1ccc([C@@H](Br)c2cc(I)ccc2Br)c(F)c1 234975647 FXJYXOSXUUOAIL-CQSZACIVSA-N 499.943 5.686 50 10 JKGE FC(F)(F)CCCOc1c(Br)cc(CBr)cc1Br 236103966 BYSFQSAIYLMQDV-UHFFFAOYSA-N 454.906 5.828 50 10 JKGE O=[N+]([O-])c1ccccc1S[C@@H]1C[C@H]2[C@@H](c3cccc(F)c3N[C@H]2c2ccccc2)[C@H]1Cl 250812486 LZXBOXFPMAFGKF-OWBSIYFLSA-N 454.954 6.773 50 10 JKGE COc1cccc(CN(C(=O)CCl)[C@H](C(=O)N[C@@H]2CCC[C@H](C)[C@H]2C)c2ccc(C)cc2)c1 252585008 FMUYGYARFDDZNR-MTVZRYLYSA-N 471.041 5.253 50 10 JKGE CC(CC(=O)Nc1ccc(OCc2ccccc2)cc1)=NNC(=O)C(c1ccccc1)c1ccccc1 252623070 OJLSDRNXIDUDMV-UHFFFAOYSA-N 491.591 5.918 50 10 JKGE N#Cc1cc(Br)ccc1COc1ccc(Br)cc1CBr 380442022 CGFBHHYCSARDCZ-UHFFFAOYSA-N 459.963 5.557 50 10 JKGE Cc1cccc(Br)c1[C@@H](Br)c1scc(C(F)(F)F)c1Br 394204837 FCEFOFKPEYRFOP-LLVKDONJSA-N 492.980 7.085 50 10 JKGE Clc1cc([C@@H](Cl)c2sccc2I)c(Cl)c(Cl)c1Cl 404609406 DXBBCOYFCCXTLB-MRVPVSSYSA-N 472.389 7.295 50 10 JKGE CC[C@@H](COc1c(Br)cc(CBr)cc1Br)CC(F)F 687919715 BNOZNQDTCYPCCJ-MRVPVSSYSA-N 464.970 6.167 50 10 JKGE CC1(C)C[C@H](Br)C[C@H](NC(=O)c2cc(Cl)ccc2I)C1 693900051 XXEIDBPXJMCEBS-KOLCDFICSA-N 470.576 5.017 50 10 JKGE C[C@@H](Cl)c1nc2ccc(F)c(C#N)c2n1CCCN(Cc1ccccc1)Cc1ccccc1 702930532 YUCLELZHQWCNAW-HXUWFJFHSA-N 460.984 6.439 50 10 JKGE Cc1sc([C@H](Cl)c2cc(Br)ccc2Br)c(C)c1Br 724985138 RDVLKQOEDIKHQB-GFCCVEGCSA-N 473.455 6.981 50 10 JKGE O=C(COc1ccc2ccccc2c1Br)NN=C(/C=C\c1ccccc1)c1ccccc1 725432585 PMTGAEUPTAVWOG-WJHBXAGASA-N 485.381 6.215 50 10 JKGE CCOc1ccc(C(=O)NN=Cc2cc(Cl)c(OCc3ccccc3Cl)c(OC)c2)cc1 1083995628 JUGRXOXUKLYJKW-UHFFFAOYSA-N 473.356 5.744 50 10 JKGE COc1cc(C=NNC(=O)[C@H](C)Sc2ccc(Cl)cc2)ccc1OCc1ccccc1 1084533744 WZYUTUVPFSXADP-KRWDZBQOSA-N 454.979 5.559 50 10 JKGE Cc1ccc(NC(=O)c2oc3c(c2C)C(=NNC(=O)c2ccccc2Br)CCC3)cc1 1772743920 LJYJTIYFMQNLIY-UHFFFAOYSA-N 480.362 5.382 50 10 JKGE Cc1cccc(C(=O)NN=C2CCCc3oc(C(=O)N4c5ccc(F)cc5CC[C@H]4C)c(C)c32)c1 1772745088 RTBVRJOUSGUNAK-QGZVFWFLSA-N 473.548 5.487 50 10 JKGE Cc1ccc(C(C)C)c(OC(=O)c2oc3c(c2C)C(=NNC(=O)Cc2ccccc2)CCC3)c1 1772750158 VSIKHELALOERRO-UHFFFAOYSA-N 458.558 5.638 50 10 JKGE COc1cc(C=NNC(=O)COc2ccccc2)ccc1OCc1c(Cl)cccc1Cl 1772754001 NGWMJNCFEQCNGR-UHFFFAOYSA-N 459.329 5.110 50 10 JKGE CC(C)(C)c1ccc(OCCCC(=O)NN=Cc2ccc(Cl)c(Cl)c2)c(Br)c1 1772755966 WFRKPYDLAVCYIB-UHFFFAOYSA-N 486.237 6.363 50 10 JKGE CC(=O)O[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)C1=O 1857787886 RCRNHNQUADUPMA-NABHCVDBSA-N 460.731 6.450 50 10 JKGE O=C(NNS(=O)(=O)c1ccc(Cl)c(Cl)c1)c1ccc(-c2ccc3ccccc3c2)s1 1860405379 LNWJYMOHHHKOHJ-UHFFFAOYSA-N 477.394 5.498 50 10 JKGE Cc1ccc([C@@H]2C(C#N)=C(N)Oc3c2c(C(F)(F)F)nn3-c2ccc(Br)cc2)cc1 1865685955 OPDYDMRQQIYTLW-MRXNPFEDSA-N 475.268 5.180 50 10 JKGE CCCOc1ccc([C@@H]2C(C#N)=C(N)Oc3c2c(CC)nn3-c2cccc3ccccc23)cc1 1865694440 VJAFRBYURKHENN-RUZDIDTESA-N 450.542 5.595 50 10 JKGE CCCc1nn(Cc2ccc(Cl)c(Cl)c2)c2c1[C@@H](c1cccc([N+](=O)[O-])c1)C(C#N)=C(N)O2 1865705802 GGEWSHBSDCHTBM-FQEVSTJZSA-N 484.343 5.317 50 10 JKGE COCCc1nc(Nc2ccc(SC#N)cc2)cc(N2CCC(Oc3ccc(Cl)cc3)CC2)n1 1868253297 FPHOLLWDUOWIRA-UHFFFAOYSA-N 496.036 5.683 50 10 JKGE COCCc1nc(Nc2ccc(SC#N)cc2)cc(N2CCc3[nH]c4c(OC)cccc4c3C2)n1 1868253837 VUEOKHIDIQHABU-UHFFFAOYSA-N 486.601 5.035 50 10 JKGE COc1cccc(-c2csc(/C(C#N)=C(\O)[C@@H]3CC(=O)N(c4cc(Cl)ccc4OC)C3)n2)c1 1872744033 FBLNAKAPOOFHQP-VKWHMPGMSA-N 481.961 5.326 50 10 JKGE CCOc1ccc(CC/C(O)=C(\C#N)c2nc(-c3ccc(OC)c(OC)c3)cs2)cc1OC 1872745101 BHSFSQCEEJTQQY-ZZEZOPTASA-N 466.559 5.660 50 10 JKGE CCCCC1CCC(/C(O)=C(\C#N)c2nc(-c3cc(C(C)(C)C)ccc3OC)cs2)CC1 1872751358 DHWXICZPFQDENJ-LVWGJNHUSA-N 452.664 7.905 50 10 JKGE C[C@@H](c1ccccc1)N1C[C@@H](/C(O)=C(\C#N)c2nc(-c3c[nH]c4ccccc34)cs2)CC1=O 1872753492 ZOWRUBBFRXIPGP-AQHIAPAPSA-N 454.555 5.694 50 10 JKGE COc1cc(C)c(-c2csc(/C(C#N)=C(\O)[C@@H](C)Oc3ccc(C(C)C)cc3)n2)cc1C(C)C 1872753646 HPBZZKHLJNYWAI-FCSFWHPOSA-N 476.642 7.634 50 10 JKGE CC[C@H](C)N1C(=O)c2ccc(/C(O)=C(\C#N)c3nc(-c4cc(C)cc(C)c4OC)cs3)cc2C1=O 1872755105 YPUQYRHIALQGEX-FRKCRFBYSA-N 487.581 5.780 50 10 JKGE COc1c(C)cc(Cl)cc1-c1csc(/C(C#N)=C(\O)c2ccc3c(c2)C(=O)N(C(C)C)C3=O)n1 1872756961 JTIPLJHUWCROFE-VZCXRCSSSA-N 493.972 5.735 50 10 JKGE CCOc1cc(/C=C(\C#N)c2nc(-c3ccc(OC)cc3)cs2)ccc1OCc1ccccc1C 1872784541 SOGSUFAFNPBFNF-BUVRLJJBSA-N 482.605 7.169 50 10 JKGE CCOc1ccc(-c2csc(/C(C#N)=C/c3ccc(OCc4ccccc4)c(OCC)c3)n2)cc1 1872790518 OFNOCEIBOILRIZ-LFVJCYFKSA-N 482.605 7.251 50 10 JKGE CCOc1cc(/C=C(\C#N)c2nc(-c3cc(C)ccc3C)cs2)ccc1OCc1ccccc1 1872790710 AJPRMOOQOSSYGX-BUVRLJJBSA-N 466.606 7.469 50 10 JKGE N#C/C(=C\c1cccc(Br)c1)c1nc(-c2ccc(Oc3ccccc3)cc2)cs1 1872793091 HWUOVXCWKBMSHG-CPNJWEJPSA-N 459.368 7.429 50 10 JKGE COc1ccc2ccccc2c1/C=C(\C#N)c1nc(-c2ccc(Oc3ccccc3)cc2)cs1 1872793154 KYVKKSKNISFRAE-OQKWZONESA-N 460.558 7.828 50 10 JKGE CCCCCOc1ccc(/C=C(\C#N)c2nc(-c3cc(OC)c(Cl)cc3OC)cs2)cc1OC 1872793876 YVJFNRVUSAVHOS-WOJGMQOQSA-N 499.032 7.122 50 10 JKGE COc1ccc(C)cc1-c1csc(/C(C#N)=C(\O)c2ccc3c(c2)C(=O)N(C2CCCCC2)C3=O)n1 1873921142 XHPAXMHBSCGAOW-LVWGJNHUSA-N 499.592 6.006 50 10 JKGE FC(F)(F)c1cc(Br)cnc1N(Cc1ccccc1)[C@H](CBr)C1CC1 1915189325 OPFXGCGOORWQCB-MRXNPFEDSA-N 478.150 6.043 50 10 JKGE O=C(c1ccc(Br)c(F)c1)N(Cc1ccccc1)[C@@H](CBr)C1CC1 1915311840 HLRWQSGBCMCCKV-SFHVURJKSA-N 455.165 5.404 50 10 JKGE Cc1c(Br)sc([C@H](Cl)c2cc(Br)n(C)n2)c1Br 1922920862 LIDPUTFSXMXTDG-MRVPVSSYSA-N 463.420 5.406 50 10 JKGE O=S1(=O)CCC([C@H](Cl)c2c(Br)sc(Br)c2Cl)CC1 1923050133 QQNXIZIEMJOZNT-ZETCQYMHSA-N 457.036 5.031 50 10 JKGE C[C@H](c1ccncc1Br)[C@H](Br)c1ccc(F)c(Br)c1 1924038447 FZSNSUNETYQHFO-CLAHSXSESA-N 451.959 5.985 50 10 JKGE Cl[C@H](c1c(Br)sc(Br)c1Br)[C@@H]1CCCOC1 1924579155 ARXFDDRBZVHVMO-XRGYYRRGSA-N 453.421 5.742 50 10 JKGE Cc1cc(Br)c(F)c([C@H](Br)c2c(Cl)sc(Cl)c2Cl)c1 1925561327 NHYAUGYSOAXYOL-QMMMGPOBSA-N 467.412 7.403 50 10 JKGE Cc1c(Br)sc([C@@H](Br)CC2CC(C(F)F)C2)c1Br 1926949437 DTBHKXOKKMPQAV-RRQHEKLDSA-N 467.011 6.699 50 10 JKGE Cn1nc([C@@H](Br)c2cc(Br)sc2Br)c(Cl)c1Cl 1945496851 BFLFJDAAUWNECG-YFKPBYRVSA-N 483.838 5.798 50 10 JKGE Cn1nc([C@H](Cl)c2cc(Br)c(Br)s2)c(Br)c1Cl 2001990271 CDFUAAPNUVQAMI-ZCFIWIBFSA-N 483.838 5.751 50 10 JKGE Cc1c([C@@H](Cl)c2cc(Br)sc2Br)nn(C)c1Br 2002828311 HWPATTMNYHQTNZ-ZETCQYMHSA-N 463.420 5.406 50 10 JKGE Cc1nc([C@@H](Cl)c2c(Cl)sc(Br)c2Cl)c(Br)s1 2003569134 MWXRKBHSGJLDLB-BYPYZUCNSA-N 456.439 6.673 50 10 JKGE CC(C)(C)OC(=O)NC[C@](C)(CI)O[C@@H]1CCC[C@@H]2CCCC[C@@H]21 2022999589 VILJBTNZVIGODJ-GGXPGOJBSA-N 451.389 5.080 50 10 JKGE COc1sc([C@@H](Br)c2cc(C)cc(Br)c2)cc1Br 2034627939 AQJJWNQJVVXUDY-LBPRGKRZSA-N 455.009 6.074 50 10 JKGE Cc1sc(Br)c([C@@H](Br)Cc2cccc(Br)c2)c1C 2039498237 IDCUNTVCDLNGSE-LBPRGKRZSA-N 453.037 6.569 50 10 JKGE CCOC(=O)c1c(C)[nH]c(C(=O)C(C#N)=Cc2cc(C)n(-c3cccc(C(F)(F)F)c3)c2C)c1C 2040447151 OXBFFTAFZGJIJV-UHFFFAOYSA-N 483.490 6.024 50 10 JKGE CCc1cc(Br)c([C@@H](Br)c2nn(C)c(Cl)c2Br)s1 2048155806 MHSIOXMLVZILIE-ZETCQYMHSA-N 477.447 5.707 50 10 JKGE BrC[C@@H](Cc1cccc(Br)c1)Cc1csc(Br)c1 2084076465 COQSUJBAHHZCMF-NSHDSACASA-N 453.037 6.069 50 10 JKGE Cc1nc(C[C@@H](Br)c2ccc(I)c(Cl)c2)sc1C 2085798010 LRQGBMATYQLLJU-SNVBAGLBSA-N 456.574 5.697 50 10 JKGE FC1(F)[C@@H]2CC[C@H]([C@@H](Br)c3cc(Br)ccc3Br)C[C@H]21 2090801697 FBCLDUUGYMYHJG-CTLRHGHPSA-N 458.966 6.329 50 10 JKGE FC1(F)C[C@]12CC[C@@H]([C@@H](Br)c1cc(Br)ccc1Br)C2 2099907971 LPLBBZSDUPEWOU-BZHVJNSISA-N 458.966 6.473 50 10 JKGE CC1(C)CC2(CC([C@@H](Br)c3cc(Br)ccc3Br)C2)C1 2100922110 JKRMQNXGQCBNLT-CQSZACIVSA-N 451.040 6.864 50 10 JKGE CC(C)(C)OC(=O)N1CC(C[S@](C)(=O)=NCCCCCCCCCBr)C1 2109490866 KCTAMKOORFMBOE-SANMLTNESA-N 453.487 5.077 50 10 JKGE CC(C)C1CC(COc2c(Br)cc(CBr)cc2Br)C1 2120284398 DHRDBNQVQNXJGZ-UHFFFAOYSA-N 455.028 6.168 50 10 JKGE CCC[C@@H]1CN(C(=O)c2scc(Br)c2Br)C[C@H]1CBr 2140768354 SRINHMGIMWNIHA-RKDXNWHRSA-N 474.056 5.156 50 10 JKGE O=C(N[C@H](CBr)c1ccccc1)c1cccc(Br)c1Br 2148770647 PSIIKDVIQYAEDK-CYBMUJFWSA-N 461.979 5.078 50 10 JKGE Cc1c(Cl)cc(COc2c(Br)cccc2CBr)cc1Br 2167394376 DUDKZLISKWAILX-UHFFFAOYSA-N 483.425 6.647 50 10 JKGE CC(C)(F)[C@@](C)(F)CC(CBr)(CBr)c1ccccc1Br 2168968722 GQARVRBRDYAERS-AWEZNQCLSA-N 477.025 6.343 50 10 JKGE BrC[C@H]1CN(Cc2cccc(Br)c2Br)CC12CCCC2 2175222905 YXUJGSBANHSUEK-ZDUSSCGKSA-N 466.055 5.599 50 10 JKGE C[C@@](CI)(OC[C@@](C)(F)C(F)(F)F)c1ccccc1Br 2191876060 UDGBDNNFPOLANT-NWDGAFQWSA-N 469.054 5.406 50 10 JKGE COc1c(Br)cc(C)cc1[C@@H](Cl)c1cc(I)ccc1F 2203838975 HHIQEYRONXVCIT-AWEZNQCLSA-N 469.519 5.838 50 10 JKGE Cc1c(Br)sc([C@@H](Br)c2ccc(I)cc2)c1C 2213621836 ZELSSDMFKNRFLW-NSHDSACASA-N 486.010 6.216 50 10 JKGE CCOCc1cc(Br)c([C@H](Br)c2sccc2Br)s1 2217983997 SXVXYJXIIAVBSA-SNVBAGLBSA-N 475.065 6.355 50 10 JKGE Brc1cc(Br)c([C@H](Br)C2C[C@H]3CCC[C@H](C2)C3)s1 2218343902 ORFGEDMAOHKTGH-MWODSPESSA-N 457.069 6.926 50 10 JKGE Cc1cc([C@H](Cl)c2cc(Br)c(Br)cc2F)oc1Br 2218595669 AFXJFKQLPCKVBS-LLVKDONJSA-N 461.350 6.343 50 10 JKGE Fc1cc(Br)c(Br)cc1[C@H](Br)[C@@H]1C[C@H]1C(F)(F)F 2218595823 AXWPNCCKUYZFFH-FAWMWEEZSA-N 454.881 5.985 50 10 JKGE C[C@@H]1CCO[C@@H]1C[C@@H](Br)c1c(Br)cc(Cl)c(Cl)c1Cl 2224321701 MSMVQXIJMVLHCH-GTNGPMTGSA-N 451.413 6.660 50 10 JKGE Cc1c(Br)csc1[C@H](Br)c1c(Br)cc(F)c(F)c1F 2226120063 BERDLCOSHKTSBY-SECBINFHSA-N 478.953 6.483 50 10 JKGE COc1cc(Br)c([C@@H](Br)c2cc(Br)sc2C)cc1C 2227735430 AFOHVAUSAYQVBY-AWEZNQCLSA-N 469.036 6.383 50 10 JKGE O=[N+]([O-])c1ccc(C[C@@H](Br)c2sccc2I)c(F)c1 2229140106 HYWCVFBPKVIRSD-SECBINFHSA-N 456.074 5.079 50 10 JKGE Fc1cc(Br)c(Br)cc1[C@@H](Br)[C@H]1C[C@@H]1c1ccccc1 2233976012 NBTVAEDZOHJYKV-GDLVEWKHSA-N 462.982 6.590 50 10 JKGE Cc1sc([C@H](Br)c2cc(Br)cc3c2O[C@H](C)C3)cc1Br 2234480153 PGTIRONTEHVSBA-NXSYQRQQSA-N 481.047 6.389 50 10 JKGE CC(C)[C@H](CBr)N(Cc1ccccc1)C(=O)c1scc(Br)c1Cl 2242667519 XVTLTYOTJULJIZ-AWEZNQCLSA-N 479.665 6.226 50 10 JKGE Clc1c(Br)csc1[C@H](Cl)Cc1cc(Br)cc(Br)c1 2263515565 PXSPETAEZUJDJC-SNVBAGLBSA-N 493.873 7.212 50 10 JKGE Fc1cc(Br)c(F)c(Br)c1[C@H](Br)[C@]12CCCC[C@@H]1C2 2272727761 VJGMTGAESSGQHQ-ISEFBEROSA-N 458.966 6.506 50 10 JKGE Fc1ccc([C@H](Br)c2c(F)cc(Br)c(F)c2Br)cc1 2272850409 UXCYXCVFXBNZPQ-NSHDSACASA-N 458.897 6.113 50 10 JKGE CC(C)(C)CCN(CCBr)C(=O)c1cc(Br)c(Br)s1 2274151760 BNQOTQFGQMKTNU-UHFFFAOYSA-N 476.072 5.546 50 10 JKGE FC(F)(F)[C@@H]1CC[C@@H]1[C@H](Br)Cc1cc(Br)cc(Br)c1 2277957900 YGIAWTBJTBASGD-QJPTWQEYSA-N 464.945 6.106 50 10 JKGE Fc1cc(Cl)c([C@H](Br)c2cc(F)c(Br)cc2Cl)cc1Cl 2282906633 DSBSGNJUNNYIIR-ZDUSSCGKSA-N 465.346 7.172 50 10 JKGE COc1ccc([C@H](Br)c2ccc(C)c(F)c2F)cc1I 2285001770 ZAXVARLRWDXQOV-ZDUSSCGKSA-N 453.064 5.371 50 10 JKGE Fc1cc(Br)cc(F)c1CO[C@@H](CI)c1ccccc1 2287182137 XPNMUPBEKBGYCC-HNNXBMFYSA-N 453.064 5.420 50 10 JKGE CCCCCCOc1ccc(C=C(C#N)C(=O)Nc2ncc(Cc3ccccc3Cl)s2)cc1 2293038406 AHCASFABJRBFLZ-UHFFFAOYSA-N 480.033 6.892 50 10 JKGE N#CC(=Cc1ccc(OCc2ccc(F)cc2)c(Br)c1)C(=O)NCc1ccccc1 2294741879 ZCQBLOLJWTUOLT-UHFFFAOYSA-N 465.322 5.391 50 10 JKGE Cc1cccc(NC(=O)C(C#N)=C2S[C@H](Cc3ccccc3Cl)C(=O)N2c2ccccc2)c1C 2296506826 GYUCKAIWGLUKEF-XMMPIXPASA-N 488.012 6.022 50 10 JKGE Cc1cccn2c(=O)c(C=C(C#N)C(=O)NC3CCCCC3)c(Oc3ccc(C(C)(C)C)cc3)nc12 2296719466 XPLNEZIPOUXUNQ-UHFFFAOYSA-N 484.600 5.449 50 10 JKGE N#CC(=Cc1ccc(-c2ccc(F)cc2)o1)C(=O)Nc1ncc(Cc2ccc(Cl)cc2)s1 2296819093 TWCZUCGFHWGKJW-UHFFFAOYSA-N 463.921 6.332 50 10 JKGE COc1ccc(Cl)cc1-n1c(C)cc(C=C(C#N)C(=O)N2CCN(c3ccccc3)CC2)c1C 2313567161 HPKWFCHYXBRLPW-UHFFFAOYSA-N 474.992 5.012 50 10 JKGE C[C@@H](NC(=O)C(C#N)=Cc1cc(Br)ccc1OCc1ccccc1Cl)c1ccccc1 2313670840 ZUEGEYXNURXESC-QGZVFWFLSA-N 495.804 6.466 50 10 JKGE O=C(C=Cc1ccc(-c2cccc([N+](=O)[O-])c2)o1)NNC(=O)c1ccc(-c2ccc(Cl)cc2)o1 2314477374 GCSCRJATHYEKDK-UHFFFAOYSA-N 477.860 5.243 50 10 JKGE FC1(F)CC12CC([C@H](Br)c1ccc(OCc3ccccc3)cc1Br)C2 2314493220 ZFSJFGWHGZIJJY-WHDUELSGSA-N 472.167 6.900 50 10 JKGE CCN(C[C@@](C)(CI)OCC1CCCCCCC1)C(=O)OC(C)(C)C 2319889185 PAYSCXATRZMNMO-HXUWFJFHSA-N 467.432 5.814 50 10 JKGE Cc1ccc2nc(C(C#N)=Cc3ccc(-n4nc(-c5ccccc5)cc4-c4ccccc4)cc3)[nH]c2c1 2331018439 STOCOUCOBNBDPC-UHFFFAOYSA-N 477.571 7.455 50 10 JKGE COc1cc(C=C(C#N)c2cc3c(cc2[N+](=O)[O-])OCCO3)ccc1OCc1ccc(Cl)cc1 2331051461 WUDHDGCBIXUKHW-UHFFFAOYSA-N 478.888 5.671 50 10 JKGE CCCOc1ccc(-c2csc(C(C#N)=C(O)COc3c(C)ccc(C)c3C)n2)cc1OCCC 2331293486 QNMPKRGWZFXWRS-UHFFFAOYSA-N 492.641 7.185 50 10 JKGE COc1ccc(Cl)cc1N1C[C@@H](C(O)=C(C#N)c2nc(-c3ccccc3)cs2)CC1=O 2331304290 YZGHCTVCIOSVAN-HNNXBMFYSA-N 451.935 5.318 50 10 JKGE COc1ccc(Cl)cc1-c1csc(C(C#N)=C(O)[C@@H](C(C)C)N2C(=O)c3ccccc3C2=O)n1 2331410969 YDOAGURSTIOHOI-OAQYLSRUSA-N 493.972 5.586 50 10 JKGE N#CC(=Cc1ccccc1OCc1ccc(Cl)cc1)c1nc(-c2cccc([N+](=O)[O-])c2)cs1 2331416195 UBMWOSCOLSVJTN-UHFFFAOYSA-N 473.941 7.015 50 10 JKGE CC(C)=CCCC(C)=CC[C@H](O)C(C)=CCC[C@]1(C)[C@H](CCCO)C(=C(C)C=O)CC[C@]1(C)O 2333253931 KVTCHSWVSFQOTP-ATIZSFMBSA-N 474.726 6.612 50 10 JKGE Brc1cc(OCc2ccccc2)ccc1[C@@H](Br)[C@@H]1C[C@H]1C1CCOCC1 2336043032 CHGJPURUOSNHIU-TUNNFDKTSA-N 480.240 6.527 50 10 JKGE COc1cc(F)ccc1[C@H](Br)c1ccc(OCc2ccccc2)cc1Br 2336083660 LUASUZIZQWOUJS-OAQYLSRUSA-N 480.171 6.660 50 10 JKGE Clc1ccc(CN2CC3(CCC(Br)CC3)C2)cc1I 2337217181 YVUFREJXKDAYTF-UHFFFAOYSA-N 454.577 5.084 50 10 JKGE Cc1cc(Br)c(F)c(Br)c1[C@H](Br)[C@@H]1CC[C@@H]2C[C@@H]2C1 2339650778 JDELXUATKDSLHR-VWMGYNLJSA-N 455.003 6.531 50 10 JKGE Cc1cc(Br)c(F)c(Br)c1[C@H](Br)[C@@H]1C[C@H]1CC(C)C 2339650835 JRQBLWOJGDGTKN-GIPNMCIBSA-N 457.019 6.777 50 10 JKGE Brc1cc2c(cc1[C@H](Br)c1nscc1Br)CCCO2 2343600808 JUEZJCPXWREXRR-LBPRGKRZSA-N 468.008 5.477 50 10 JKGE Fc1cc(OCc2ccc(I)c(Br)c2)ccc1CCl 2349807092 LUNQHKYHYYERHY-UHFFFAOYSA-N 455.492 5.511 50 10 JKGE ClCc1ccc(Br)c(Cl)c1N1CCc2scc(Br)c2C1 2361587501 AEMMLDYODJTDIN-UHFFFAOYSA-N 456.030 6.228 50 10 JKGE Cc1cc(Br)cc(CCl)c1OCc1ccc(Cl)cc1I 2366706630 JCVPCYAGKQCCAG-UHFFFAOYSA-N 485.974 6.333 50 10 JKGE COc1ccc(C(=O)N/N=C(/C=C/c2ccccc2)c2ccccc2)cc1I 12574016 YSGQQRGYRWRMIC-FGMKUNLZSA-N 482.321 5.147 50 10 JKGE CCCCOc1ccc(Br)cc1C(=O)NNC(=O)C(c1ccccc1)c1ccccc1 14649770 NIJRQSYUFNLYBY-UHFFFAOYSA-N 481.390 5.221 50 10 JKGE CCCCCN1C(=O)/C(=N/NC(=O)CCCOc2ccc(Cl)cc2Cl)c2cc(OC)ccc21 38180357 BBIVYGVEQBUBDW-WEMUOSSPSA-N 492.403 5.218 50 10 JKGE CC(C)COc1ccc(C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@H]3c2ccc(Cl)cc2)cc1 38651376 QPYHGKHBEAKOGQ-VWLOTQADSA-N 474.944 5.812 50 10 JKGE CCc1ccc(OCC(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@H]3c2ccc(Cl)cc2)cc1 38651408 OACJASYNTNJMIB-VWLOTQADSA-N 460.917 5.105 50 10 JKGE CCCOc1ccc(C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@H]3c2ccc(Cl)c(Cl)c2)cc1 38655874 KFICDUPKHJPYSX-DEOSSOPVSA-N 495.362 6.220 50 10 JKGE CCCCCOc1cccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4ccc(Cl)cc4)ccc32)c1 38684770 BWHWZNJQVMLEGI-AREMUKBSSA-N 488.971 6.346 50 10 JKGE COc1cccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4oc5c(C)c(C)ccc5c4C)ccc32)c1 38687344 GNKALBITVPTAMR-VWLOTQADSA-N 480.520 5.804 50 10 JKGE CCc1ccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4ccc(OC)c(Cl)c4)ccc32)cc1 38700463 ZYYZCJXIMBNQCL-XMMPIXPASA-N 460.917 5.348 50 10 JKGE CCCOc1cccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4oc5ccc(C)cc5c4C)ccc32)c1 38701046 VBRMARWIHNWTAI-MHZLTWQESA-N 494.547 6.276 50 10 JKGE Cc1cc(O[C@@H](C)C(=O)N/N=C/c2cn(Cc3ccccc3)c3ccccc23)cc(C)c1Cl 40960462 KFZKWWDGUIGOSI-SNDUKXJISA-N 459.977 5.877 50 10 JKGE C[C@@H](Oc1ccc(C(C)(C)C)cc1)C(=O)N/N=C/c1ccc(OCc2ccccc2Cl)cc1 40961336 ZCGKPMFGZAXBOK-HRJIBFCWSA-N 464.993 6.134 50 10 JKGE COC(=O)c1ccc(-c2ccc(/C=C(\C#N)C(=O)Nc3cccc(Cl)c3Cl)o2)cc1Cl 59336380 GVFNRTIYGRGJBY-UKTHLTGXSA-N 475.715 6.239 50 10 JKGE Cc1cccc(NC(=O)C(=O)N/N=C/c2c(OCc3ccccc3)ccc3ccccc23)c1C 59378928 QDTBKJYKLKOILT-STBIYBPSSA-N 451.526 5.124 50 10 JKGE CCc1ccc(N2C(=O)[C@@H](Cc3ccc(Cl)cc3)S/C2=C(/C#N)C(=O)NCc2ccco2)cc1 101242056 BESSMRDNXNKGMN-YMGIJWJESA-N 492.000 5.238 50 10 JKGE COc1ccc([C@@H](Br)c2cc(Cl)c(Br)s2)cc1Br 127512994 DWEWZGQRKCCYKV-LLVKDONJSA-N 475.427 6.419 50 10 JKGE Cc1cc(Br)c([C@H](Br)c2ccc(Br)o2)cc1Br 128810511 PHFKQYLMJGDGTG-LBPRGKRZSA-N 487.811 6.360 50 10 JKGE COc1cc([C@@H](Br)c2cc(F)ccc2Br)c(OC)cc1Br 134296566 CHZQDTUFTRHUJY-HNNXBMFYSA-N 482.969 5.852 50 10 JKGE Cc1cc(Br)cc(CBr)c1OCc1c(Br)c(C)nn1C 167018940 TYZYPCUSZHNTAF-UHFFFAOYSA-N 466.999 5.036 50 10 JKGE CCCCOc1ccc(/C=C(/C#N)C(=O)Nc2sc(C)c(-c3ccc(F)cc3)c2C(=O)OC)cc1 207208410 ASSJEIFHILARJI-HKWRFOASSA-N 492.572 6.374 50 10 JKGE Brc1ccc(I)c([C@H](Br)Cc2cccs2)c1 232478706 RIARBMLMMFZLKS-LLVKDONJSA-N 471.983 5.794 50 10 JKGE CCOc1ccc([C@H](Br)c2ccc(Cl)c(Br)c2)c(Br)c1 233791200 CZQZMTZQPAESOF-OAHLLOKOSA-N 483.425 6.748 50 10 JKGE COCCc1ccc([C@@H](Cl)c2cc(I)ccc2Br)cc1 234696796 PNSGOMGUWCUAHR-MRXNPFEDSA-N 465.556 5.571 50 10 JKGE Cc1ccc([C@H](Br)c2cc(Br)ccc2I)s1 235909205 PBLSWSVQWBWJNL-GFCCVEGCSA-N 471.983 5.908 50 10 JKGE Fc1cc([C@@H](Br)c2cc(Cl)cc(Br)c2)c(F)cc1Br 236220882 PLWKUWUSWXKLKX-ZDUSSCGKSA-N 475.352 6.628 50 10 JKGE CC(=NNC(=O)c1sc2cc(Cl)ccc2c1Cl)c1cccc(NC(=O)C(F)(F)F)c1 254486232 XQHFNPGTJWBIJW-UHFFFAOYSA-N 474.291 5.863 50 10 JKGE CCCOc1ccc(/C=C(/NC(=O)c2ccccc2)C(=O)NN=C(C)c2ccc(OCC)cc2)cc1 254491914 BXQMLCZIGDFDSF-UWKSDJNHSA-N 485.584 5.185 50 10 JKGE CCCCCCCCCCCCCC(=O)NN=Cc1ccc(OC(=O)/C=C/c2ccccc2)cc1 254817152 RFNSLKSHGFJKSB-UTADDNPFSA-N 476.661 7.457 50 10 JKGE CC(=O)O[C@@H]1CC[C@]2(C)C3=CC(=O)[C@]4(C)[C@H]([C@H](C)CC[C@H](C)C(C)C)CC[C@H]4[C@@]34CC[C@@]2(C1)OO4 254839228 FNOFNCIBAJVYBM-ZSTGMLPMSA-N 486.693 6.592 50 10 JKGE Clc1ccc(Br)c(COc2ccc(CBr)cc2Br)c1 311667853 GWYMLWGTGHRFSJ-UHFFFAOYSA-N 469.398 6.339 50 10 JKGE Clc1c(Br)cccc1[C@@H](Cl)c1cc(I)cc2c1OCC2 312412584 XEUFIRDFUVTJGQ-CYBMUJFWSA-N 483.958 5.970 50 10 JKGE C[C@H](Cl)c1nc2cc(Br)c(F)cc2n1C[C@H]1CCN(Cc2ccccc2)C1 380170052 BAHOGHJCPFLYDX-HOCLYGCPSA-N 450.783 5.760 50 10 JKGE Fc1cc(Br)c(Cl)cc1[C@H](Br)c1nscc1Br 404756726 GAAUYMGRIRJEMR-VIFPVBQESA-N 464.379 5.945 50 10 JKGE Fc1cc(Br)c(Cl)cc1[C@H](Br)c1cscc1Br 404814342 BHRGOXDLKBQRSX-NSHDSACASA-N 463.391 6.550 50 10 JKGE CC(C)(C)OC(=O)NCCN1CCCOC[C@H]1c1ccc(CCO[Si](C)(C)C(C)(C)C)cc1 616649745 XLIOUQVKSXBAHQ-QHCPKHFHSA-N 478.750 5.539 50 10 JKGE CC(C)(C)OC(=O)N1CCCC[C@@H]1[C@@H]1CCC[C@@]12CCC[C@H](CI)O2 686242395 OKFXYCMHHAAMDW-YZLZLFLDSA-N 463.400 5.319 50 10 JKGE Brc1cc([C@@H](Br)Cc2ccsc2)ccc1I 721615761 SOLRPUJTYQSXGI-JTQLQIEISA-N 471.983 5.794 50 10 JKGE O=C(CSc1nc2ccccc2[nH]1)NN=Cc1ccc(OCc2ccccc2Cl)cc1 1083910141 FNFVMUNOQXDINX-UHFFFAOYSA-N 450.951 5.038 50 10 JKGE Cc1ccc(NCC(=O)NN=Cc2cc(Br)c(Sc3ccc(Cl)cc3)o2)cc1C 1084241848 NCHQSJXVEUTGDZ-UHFFFAOYSA-N 492.826 6.026 50 10 JKGE COc1cc(C=NNC(=O)Cc2ccc(Cl)cc2)ccc1OCc1ccc(Cl)cc1Cl 1084373641 DQMSLBIZYLRNLF-UHFFFAOYSA-N 477.775 5.927 50 10 JKGE FC(F)(F)c1cccc(NC2=NCCN=C(Nc3cccc(C(F)(F)F)c3)SS2)c1 1615950510 WWSJLYYKIUDPHP-UHFFFAOYSA-N 464.460 6.355 50 10 JKGE COc1ccc(C=NNC(=O)c2cc(-c3ccc(Br)cc3)nc3ccccc23)cc1OC 1772719602 CSOSYKGUEUDHAA-UHFFFAOYSA-N 490.357 5.445 50 10 JKGE COc1ccc(-c2nn(-c3cccc4ccccc34)c3c2[C@H](c2ccccc2)C(C#N)=C(N)O3)cc1 1865680478 MBVYZKKKEDBIDK-AREMUKBSSA-N 470.532 5.919 50 10 JKGE COc1ccc(-c2nn(-c3ccccn3)c3c2[C@H](c2ccc(C(C)(C)C)cc2)C(C#N)=C(N)O3)cc1 1865682765 XFNBTFRUGMLYLH-XMMPIXPASA-N 477.568 5.459 50 10 JKGE Cc1nn(-c2ccc(Cl)c(Cl)c2)c2c1[C@@H](c1ccc(Cl)c(Cl)c1)C(C#N)=C(N)O2 1865685354 IIAOUYRRAIRVHW-SFHVURJKSA-N 466.155 6.013 50 10 JKGE COc1ccc(OC)c([C@H]2C(C#N)=C(N)Oc3c2c(-c2ccccc2)nn3-c2ccccc2Cl)c1 1865693463 VYFCSUDSWNNHTM-QHCPKHFHSA-N 484.943 5.428 50 10 JKGE CCc1nn(-c2ccc(Cl)c(Cl)c2)c2c1[C@H](c1cn(C)c3ccccc13)C(C#N)=C(N)O2 1865699506 VVRXNMGZGXMSOO-NRFANRHFSA-N 464.356 5.451 50 10 JKGE CCc1nn(Cc2cccc(Cl)c2)c2c1[C@H](c1cc(Br)ccc1F)C(C#N)=C(N)O2 1865701987 JYKNVXGUWSBBMG-LJQANCHMSA-N 487.760 5.267 50 10 JKGE CCCOc1ccccc1[C@H]1C(C#N)=C(N)Oc2c1c(-c1ccccc1)nn2Cc1ccc(C)cc1 1865702568 BNVHDDUWBLONGA-SANMLTNESA-N 476.580 5.914 50 10 JKGE N#CC1=C(N)Oc2c(c(-c3ccccc3)nn2-c2cccc(Cl)c2)[C@H]1c1ccccc1C(=O)O 1865703598 CHBKPESURMBKBB-NRFANRHFSA-N 468.900 5.109 50 10 JKGE COc1cc([C@@H]2C(C#N)=C(N)Oc3c2c(-c2ccccc2)nn3Cc2ccccc2Cl)ccc1O 1865706050 MKWAFRHKHFAYPL-HSZRJFAPSA-N 484.943 5.184 50 10 JKGE CCn1nc(C)c2c1OC(N)=C(C#N)[C@@H]2c1ccc(OCc2ccccc2)c(OCc2ccccc2)c1 1865712335 VXQLQQGJYPOUJZ-NDEPHWFRSA-N 492.579 5.588 50 10 JKGE COc1ccc([C@H]2C(C#N)=C(N)Oc3c2c(-c2ccccc2)nn3Cc2ccccc2Cl)cc1 1865713293 VTJZXHJDIMFMIV-QHCPKHFHSA-N 468.944 5.479 50 10 JKGE Cc1ccc(CCCC(=O)NNC(=O)c2ccc(-c3ccc(Cl)cc3Cl)nc2C)cc1 1865759502 DGXQSRURGAIHSY-UHFFFAOYSA-N 456.373 5.456 50 10 JKGE N#CSc1ccc(NC(=O)[C@H](NC(=O)C[C@H](c2ccccc2)C2CC2)c2ccccc2)cc1 1866720562 OENOFXXDUVFFEQ-AOYPEHQESA-N 455.583 5.640 50 10 JKGE CC(C)C[C@@H](C(=O)N[C@@H](C)C(=O)Nc1ccc(SC#N)cc1)c1cccc(Br)c1 1867198051 OILBBQQQSUKOJE-MGPUTAFESA-N 474.424 5.295 50 10 JKGE N#C/C(=C\c1ccc(-n2nc(-c3ccccc3)cc2-c2ccccc2)cc1)c1ncccc1[N+](=O)[O-] 1872729248 XHWGPFQSCOCPRB-HKOYGPOVSA-N 469.504 6.574 50 10 JKGE CCOc1ccc(-c2csc(/C(C#N)=C(\O)[C@@H]3CC(=O)N(c4c(CC)cccc4CC)C3)n2)cc1 1872747919 ZBCAEELSIMBEHH-LULRDMADSA-N 487.625 6.179 50 10 JKGE CCOc1ccc(CC/C(O)=C(\C#N)c2nc(-c3ccc(C(C)(C)C)cc3)cs2)cc1OC 1872750997 PKHKBOFGJPBHJT-LNVKXUELSA-N 462.615 6.940 50 10 JKGE COc1cc(/C=C/C(O)=C(\C#N)c2nc(-c3cc(C(C)(C)C)ccc3C)cs2)cc(OC)c1OC 1872755883 KPQSDQHIFVAQMV-GAZMVHPRSA-N 490.625 6.948 50 10 JKGE COc1c(C)cc(C)cc1-c1csc(/C(C#N)=C/c2ccccc2OCc2ccc(Cl)cc2)n1 1872792573 GHOHWHBCYUGYOW-HYARGMPZSA-N 487.024 7.732 50 10 JKGE COc1cc(OC)c(OC)cc1/C=C(\C#N)c1nc(-c2ccc(Oc3ccccc3)cc2)cs1 1872793368 WOMOUDJCYHDKDI-DEDYPNTBSA-N 470.550 6.692 50 10 JKGE Brc1cc([C@H](Br)[C@@H]2C[C@H]2Br)sc1Br 1877359663 MNRCNVPTAZKUKX-XAQAVTJOSA-N 453.819 5.493 50 10 JKGE CCCC[Sn](CCCC)(CCCC)c1cc(CBr)ccc1OC 1882339935 NVEVMJLOJQODGT-UHFFFAOYSA-N 490.114 6.646 50 10 JKGE CC(C)(SC[C@H]1C[C@H]1Cl)[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)O 1893108438 SHKJYOZSEOWWHY-XMDBHEJHSA-N 459.995 5.117 50 10 JKGE C[C@@H](Br)CC(C)(C)Cc1ccc(I)c(Br)c1 1904329889 OWSDHWFEFLAQLK-SECBINFHSA-N 459.991 5.796 50 10 JKGE Clc1ccc(Br)c(CN(Cc2ccccc2)[C@H](CBr)C2CC2)c1 1915210058 RJUIHUFFMXHVPC-LJQANCHMSA-N 457.637 6.278 50 10 JKGE CC(C)[C@@H](CBr)N(Cc1ccccc1)C(=O)c1cccc(I)c1 1915289266 RHOMBOXZONYXNJ-GOSISDBHSA-N 486.191 5.353 50 10 JKGE Cc1c(Br)sc([C@@H](Br)c2cc(Cl)ccc2Cl)c1Br 1922898301 UNODQLJVPDLTGA-JTQLQIEISA-N 493.873 7.373 50 10 JKGE Cc1c(Br)sc([C@@H](Br)c2c(F)ccc(F)c2F)c1Br 1922920545 IIZZSJGOWHIYHT-VIFPVBQESA-N 478.953 6.483 50 10 JKGE Cc1c(Br)sc([C@@H](Br)[C@@H]2C[C@H]3[C@@H](C2)C3(C)C)c1Br 1922932018 HYJIAYZGJZBUON-DKIAZLNASA-N 457.069 6.700 50 10 JKGE Cc1c(Br)sc([C@H](Br)[C@@H]2CCCC2(F)F)c1Br 1922939652 ISCBLVHJBZWFEY-POYBYMJQSA-N 452.984 6.453 50 10 JKGE CC1([C@@H](Br)c2c(Br)sc(Br)c2Cl)CCCC1 1923068851 XLXALSSVQWKJQR-QMMMGPOBSA-N 451.449 6.943 50 10 JKGE F[C@@H]1CC[C@@H]([C@H](Br)c2c(Br)sc(Br)c2Cl)C1 1923070558 CFRZAZMSDIZLNN-XAHCXIQSSA-N 455.412 6.501 50 10 JKGE Clc1c(Br)sc(Br)c1[C@H](Br)c1ccc(C2CC2)cc1 1923075187 YBKZFIMLABUFBA-LLVKDONJSA-N 485.466 7.288 50 10 JKGE CC(F)(F)[C@H](Br)c1c(Br)sc(Br)c1Br 1924576378 NGNLVUPBVACGFN-SCSAIBSYSA-N 477.788 6.127 50 10 JKGE CCC(F)(F)C(C)(C)[C@@H](Cl)c1c(Br)sc(Br)c1Br 1924609491 YLHSMBWVQBGKAC-ZETCQYMHSA-N 489.445 7.387 50 10 JKGE CC(C)(C)OC(=O)NC[C@@H]1CCCC2(CCC2)[C@]12CC[C@](C)(CI)O2 1924790809 LFEXCOPZXYBALN-CVAIRZPRSA-N 463.400 5.224 50 10 JKGE C[C@H](N(Cc1ccccc1)c1c(CBr)ccc(Br)c1Cl)C(C)(C)C 1948742267 YKZOMZGFPWZJHG-AWEZNQCLSA-N 473.680 7.439 50 10 JKGE C[C@@H](c1ccncc1Br)[C@H](Br)c1cscc1OCc1ccccc1 1950316282 GWTFORIRDPDLCP-DJJJIMSYSA-N 467.226 6.724 50 10 JKGE O=S1(=O)CC[C@@H]([C@H](Cl)c2ccc(OCc3ccccc3)c(OCc3ccccc3)c2)C1 2016681611 DJSLRQLOXZPRNE-RCZVLFRGSA-N 456.991 5.559 50 10 JKGE Cc1cc(Cl)c(Br)cc1[C@@H](Br)c1ncsc1Br 2023706144 UOAHNMULWUNNLT-SECBINFHSA-N 460.416 6.114 50 10 JKGE Clc1cnccc1C[C@H](Br)c1cccc(Br)c1Br 2031484241 KWSSHFLIAGXHCL-NSHDSACASA-N 454.387 5.939 50 10 JKGE Fc1cc(-n2nc(CCl)c(I)c2C(F)(F)F)ccc1C(F)(F)F 2079213969 SXDNQGXSPAPYRX-UHFFFAOYSA-N 472.529 5.392 50 10 JKGE CC[C@]12CO[C@]([C@@H](Cl)c3c(Br)sc(Br)c3Br)(C1)C2 2084491562 UUTZBBMSCFJGHP-KPXOXKRLSA-N 479.459 6.275 50 10 JKGE Brc1cc(Br)c([C@H](Br)[C@H]2CC3(CCCCC3)CO2)s1 2109966396 YRJMZQDZKFNGHG-ZYHUDNBSSA-N 473.068 6.449 50 10 JKGE Cc1c([C@H](Br)c2cc(F)c(Br)cc2F)c(Br)nn1C 2131589822 ISBLROUWNXMDQM-LLVKDONJSA-N 458.926 5.016 50 10 JKGE Cc1c(Br)ccc([C@@H](Br)[C@H]2C[C@@H]3CCC[C@@H]3C2)c1Br 2138853182 PWDSXUFQCPLSMX-BUWBCJGYSA-N 451.040 6.782 50 10 JKGE BrCCC[C@H]1CCCCN1Cc1cccc(Br)c1Br 2141714753 HQZQECXSMOPMOX-CYBMUJFWSA-N 454.044 5.741 50 10 JKGE COc1cc(C)c(Br)cc1[C@@H](Cl)c1cccc(Br)c1Br 2148754126 YOYOBSDTCANROV-HNNXBMFYSA-N 483.425 6.619 50 10 JKGE COc1cc(Br)c([C@H](Br)c2nc(C)sc2Br)cc1OC 2169496915 VJBQUCUCEOYXSD-NSHDSACASA-N 486.023 5.478 50 10 JKGE O=C(c1c(Br)cccc1Br)N1C[C@@H](Br)CCC12CCC2 2174538693 WSJOIGYFHHTHJC-JTQLQIEISA-N 466.011 5.134 50 10 JKGE C[C@H](c1cccs1)N(Cc1ccccc1)S(=O)(=O)N1CCC[C@@H](CCBr)C1 2179953591 BZQJEJKYUWFYPH-MJGOQNOKSA-N 471.486 5.053 50 10 JKGE CCc1nn(C)c([C@H](Br)c2cc(C)c(Br)cc2C)c1Br 2192385758 XGSLULDPQLUDSJ-CYBMUJFWSA-N 465.027 5.609 50 10 JKGE Cc1cc(Br)c(C)c([C@H](Br)[C@@H]2CC3(CCC3)CO2)c1Br 2201079414 SQYRQKRQXSZTDN-SWLSCSKDSA-N 467.039 6.224 50 10 JKGE Cc1cc(Br)c([C@@H](Cl)c2cnn(C)c2Br)c(C)c1Br 2227351923 OJEBUEBDWJPMRK-LBPRGKRZSA-N 471.418 5.653 50 10 JKGE CCOCc1cc(Br)c([C@H](Br)c2ccc(Br)cc2C)s1 2233018724 FQSANTULKBYLFO-CQSZACIVSA-N 483.063 6.602 50 10 JKGE COc1cc(Cl)ccc1[C@@H](Br)c1cc(Br)c(Br)cc1F 2233975576 KGJZXFTXBJICMR-CQSZACIVSA-N 487.388 6.497 50 10 JKGE Fc1cc(Br)c(Br)cc1[C@H](Br)[C@H]1CCn2nccc2C1 2233982541 WTJLICVAEUZJFI-RMLUDKJBSA-N 466.974 5.246 50 10 JKGE O=[N+]([O-])c1ccc(C[C@@H](Br)c2cccc(I)c2)c(F)c1 2237445558 GSCGWAMKDCMMRY-CYBMUJFWSA-N 450.045 5.017 50 10 JKGE Clc1cc(CN2C[C@@H]3CCCC[C@@]3(CBr)C2)ccc1I 2239170847 DGEJRDYNUYOGFD-XJKSGUPXSA-N 468.604 5.332 50 10 JKGE CCCCCCCCCCCO[C@@](C)(CBr)CN(CC)C(=O)OC(C)(C)C 2239503235 QEFARABLAIYHQY-QFIPXVFZSA-N 450.502 6.944 50 10 JKGE Cl[C@H](c1ccc(I)c(Br)c1)c1ccc([C@H]2CCOC2)s1 2240439097 OJZIOTPHKVQSDD-ZUZCIYMTSA-N 483.596 5.947 50 10 JKGE FC(F)[C@@H]1CCC[C@@H]1[C@H](Br)c1cc(Br)sc1Br 2249237674 LSWNCLDSUIKYPY-MYINAIGISA-N 452.984 6.391 50 10 JKGE COc1cc(Cl)c(Cl)cc1[C@@H](Br)c1ccccc1OCc1ccccc1 2264363414 UTVAXFPIYKMWID-NRFANRHFSA-N 452.175 7.065 50 10 JKGE COc1c([C@H](Br)c2ccc(Br)c(C)c2Br)csc1Cl 2268952023 FQBUDMXTRCJKKI-LLVKDONJSA-N 489.454 6.728 50 10 JKGE COc1sc([C@@H](Br)c2cc(Br)c(F)cc2C)cc1Br 2270453178 NOMGNRCLWDZRNT-LBPRGKRZSA-N 472.999 6.214 50 10 JKGE COc1c([C@@H](Br)c2cocc2Br)cc(Br)c(C)c1C 2270460884 JSPWJJJVZAUOJC-CYBMUJFWSA-N 452.968 5.914 50 10 JKGE FC[C@@]12CC[C@@]([C@@H](Br)c3ccc(Br)cc3Br)(CO1)C2 2274670278 BDVSKTAOXUKOOR-IHRRRGAJSA-N 456.975 5.556 50 10 JKGE COc1c(Br)cc(Cl)c(C)c1[C@@H](Br)c1ccsc1Br 2277883928 ONHUEUSHUBXPCC-NSHDSACASA-N 489.454 6.728 50 10 JKGE COc1ccc([C@H](Cl)c2c(F)cccc2I)c(Br)c1Cl 2283562187 OENFWKCKMIOJLO-ZDUSSCGKSA-N 489.937 6.183 50 10 JKGE COc1c([C@H](Cl)c2cc(I)sn2)cc(Br)c2c1CCC2 2284515906 LTFPCZUVPXJBFV-ZDUSSCGKSA-N 484.584 5.336 50 10 JKGE COc1ccc(Br)cc1[C@H](Br)c1cc(Br)c(F)cc1C 2285938349 ASCXDRAPJDNANE-OAHLLOKOSA-N 466.970 6.152 50 10 JKGE C=CC[C@]1(CBr)CCCN(C(=O)c2scc(Br)c2Br)C1 2287764879 MUPDWGYNTIMTKD-CQSZACIVSA-N 486.067 5.467 50 10 JKGE Cc1cc(C=C(C#N)C(=O)Nc2cccc(Cl)c2Cl)c(C)n1-c1ccc2c(c1)OCO2 2294155969 UAWDXCLJANFPEF-UHFFFAOYSA-N 454.313 5.675 50 10 JKGE COc1cc(C=C(C#N)c2nc3ccccc3[nH]2)ccc1OC(=O)C12CC3CC(CC(C3)C1)C2 2297630504 RZFUICVQTGLGLX-UHFFFAOYSA-N 453.542 5.757 50 10 JKGE CC[C@@H]1[C@H](Br)CC[C@@H]1Cc1ccc(I)c(Br)c1 2306199053 IJQDKDYCDAVTRJ-GRYCIOLGSA-N 472.002 5.796 50 10 JKGE Brc1ccc(OCc2ccccc2)c([C@@H](Br)[C@@H]2O[C@H]3CC[C@H]2C3)c1 2307420201 JPHCEDFMYOJCFP-QTLCSOKXSA-N 452.186 6.032 50 10 JKGE COc1cc(C=C(C#N)C(=O)N2CCN(c3ccccc3)CC2)cc(Cl)c1OCc1ccccc1 2313566896 CXJYIAYXLMHQFI-UHFFFAOYSA-N 487.987 5.183 50 10 JKGE N#CC(=Cc1c(Oc2ccccc2Cl)nc2ccccn2c1=O)c1nc2ccccc2s1 2314436863 RCTZJPWZSLJISV-UHFFFAOYSA-N 456.914 5.814 50 10 JKGE Cc1ccc(-c2ccc(C=C(C#N)C(=O)Nc3ccc(C(F)(F)F)c(Cl)c3)o2)c([N+](=O)[O-])c1 2314571645 JGXWZIQFOOMICK-UHFFFAOYSA-N 475.810 6.381 50 10 JKGE CC1=C(C#N)C(=O)N([C@H](C)c2ccccc2)C(=O)C1=Cc1ccc(-c2ccc(Br)cc2)o1 2314618159 IHRWWCOSLGWPBI-QGZVFWFLSA-N 487.353 6.063 50 10 JKGE Fc1c(Br)cc(Cl)c([C@H](Br)c2ccc(Cl)s2)c1Br 2315458200 KIKXNZNGKIVQGM-SECBINFHSA-N 497.836 7.203 50 10 JKGE Cc1c(Br)sc([C@@H](Br)[C@@H]2COC3(C)CC2C3)c1Br 2315927141 DSJNGRLRUXCLML-JNRJEUTISA-N 459.041 5.833 50 10 JKGE Cc1cc(Br)c(F)c(Br)c1[C@@H](Cl)c1nscc1Br 2317400685 OOIXYIZXFFZBPN-SECBINFHSA-N 478.406 6.206 50 10 JKGE Cc1ccc(-c2ccc(C(=O)NN=Cc3cc(Cl)cc(Br)c3O)c(C)n2)cc1 2321239252 JRNOXHLHUOUECP-UHFFFAOYSA-N 458.743 5.251 50 10 JKGE FC1(F)CCC[C@@H]2[C@@H]([C@@H](Br)c3cc(Br)ccc3Br)[C@@H]21 2330157706 LJGBAUGTHIGDLI-STRQVWJDSA-N 458.966 6.329 50 10 JKGE COc1ccc(C=C(C#N)c2ccc(C(=O)OC(C)C)o2)cc1OCc1ccc(Cl)cc1 2331049736 NSVMNCOASSHEMG-UHFFFAOYSA-N 451.906 6.150 50 10 JKGE COc1ccc(OCCCC(O)=C(C#N)c2nc(-c3cc(Cl)c(OC)cc3OC)cs2)cc1 2331378627 JIDXQTFUCAFXEA-UHFFFAOYSA-N 486.977 6.141 50 10 JKGE COc1cc(C=C(C#N)c2nc(-c3ccc(Cl)cc3)cs2)ccc1OC(=O)c1ccccc1 2331440038 TYJFSWPPSMDJIN-UHFFFAOYSA-N 472.953 6.755 50 10 JKGE COc1cc(Cl)c(C)cc1-c1csc(C(C#N)=Cc2ccc(OCc3ccccc3C)cc2)n1 2331474704 DVRIGEYSQBHWNM-UHFFFAOYSA-N 487.024 7.732 50 10 JKGE Cc1ccc([C@@H](Br)c2c(Cl)cc(Br)c(F)c2Br)cc1 2337092599 SNMIZYGSDRPQOT-GFCCVEGCSA-N 471.389 6.797 50 10 JKGE Clc1ccc(CN2CC3(CC[C@@H]2CBr)CC3)cc1I 2337224770 DIYZBIAHEYRUGW-GFCCVEGCSA-N 454.577 5.084 50 10 JKGE Cc1nn(C)c2sc([C@@H](Br)c3sc(Cl)cc3I)cc12 2338565801 DVKWBSUSMRLCMX-SNVBAGLBSA-N 487.613 5.747 50 10 JKGE Cc1cc(CCl)nc(OCc2cc(I)ccc2Br)c1 2341552240 MCLVAWFNPDQKHA-UHFFFAOYSA-N 452.517 5.075 50 10 JKGE Fc1cccc([C@H](CCl)Cc2ccc(I)c(Br)c2)c1 2349857055 WQEPMVYUXQTTAT-LBPRGKRZSA-N 453.520 5.758 50 10 JKGE CC(C)(C)[C@@H]1[C@@H](Br)CCN1Cc1cc(I)ccc1Cl 2352414590 VUZSQCCIOWSWQU-JSGCOSHPSA-N 456.593 5.329 50 10 JKGE Fc1cc(Cl)c(Br)c(Cl)c1[C@@H](Br)[C@@H]1CC[C@H]1C(F)(F)F 2360483954 NURXPPTVNJBCGX-OJFKHTATSA-N 458.902 6.920 50 10 JKGE Fc1cc(Cl)c(Br)c(Cl)c1[C@@H](Cl)Cc1cccc(Br)c1 2360494794 STDOUUPSDPGESI-VIFPVBQESA-N 461.383 7.180 50 10 JKGE COc1c(Br)cc(C)c([C@H](Br)[C@@H]2COCC2(C)C)c1Br 2365195368 AYXFFXIXBROGHI-JOYOIKCWSA-N 471.027 5.637 50 10 JKGE COc1c(Br)cc(C)c([C@H](Br)[C@H]2[C@H]3COCC[C@H]32)c1Br 2365215625 MBSYANYZEAXCIH-DTVLGXAZSA-N 469.011 5.247 50 10 JKGE Fc1cc(Br)cc(OCc2ccc(Cl)cc2I)c1CCl 2365647234 HYNLKNGGJBUILC-UHFFFAOYSA-N 489.937 6.164 50 10 JKGE Fc1ccc(C[C@@H](CBr)Cc2ccc(Cl)cc2I)cc1 2366715062 NOZWWXXTDJZUHJ-GFCCVEGCSA-N 467.547 5.880 50 10 JKGE Clc1cc(Cl)cc(CC[C@@H](Cl)c2ccc(OCc3ccccc3)cc2Br)c1 2366799249 WNOUKPAOHJERJE-JOCHJYFZSA-N 484.648 8.248 50 10 JKGE Cc1nsc(Br)c1[C@H](Br)c1cc2c(cc1Br)OCCC2 2369615284 ICQVNRDBCBYJSP-CYBMUJFWSA-N 482.035 5.786 50 10 JKGE Cl[C@@H](c1ccc(I)cc1)c1cc2c(cc1Br)OCCC2 2369627936 BOFKAGHAOJELHS-INIZCTEOSA-N 463.540 5.707 50 10 JKGE O=C(COc1ccc(Cl)cc1Cl)N/N=C/c1cc([N+](=O)[O-])ccc1Sc1ccccc1 2049322 KJZFNCCVWLCDHI-WYMPLXKRSA-N 476.341 5.582 50 10 JKGE O=C(NCCc1ccccc1)[C@H](c1ccccc1F)N(C(=O)CCl)c1ccccc1Cl 3034995 GOMQBVVDHUERDB-QHCPKHFHSA-N 459.348 5.151 50 10 JKGE CCSc1ccsc1[C@H]1C(C#N)=C(N)N(c2cccc(Cl)c2C)C2=C1C(=O)CC(C)(C)C2 9982256 FNHKBVWXVYQCAH-NRFANRHFSA-N 484.090 6.763 50 10 JKGE COc1ccc2ccccc2c1/C=N/NC(=O)COc1ccc(C(C)C)cc1Br 12580057 KBNCEEVHRYKNOG-DHRITJCHSA-N 455.352 5.263 50 10 JKGE CCCCOc1ccc(C(=O)NNC(=O)c2ccccc2OCc2ccccc2)cc1Br 14041313 UUIFJNWYCMJZPU-UHFFFAOYSA-N 497.389 5.282 50 10 JKGE O=C(N/N=C/c1ccccc1Cl)c1cccc(NC(=O)c2cccc(Br)c2)c1 27520013 CMMLKEYKRNEXFS-ZMOGYAJESA-N 456.727 5.119 50 10 JKGE N#C/C(=C/c1ccc(-c2ccccc2Cl)o1)C(=O)Nc1ncc(Cc2ccccc2Cl)s1 33339791 CIDFJOUDZGNIGO-WJDWOHSUSA-N 480.376 6.846 50 10 JKGE C/C(=N/NC(=O)c1ccc(COc2ccc(Cl)c(C)c2)cc1)c1ccc(N2CCOCC2)cc1 33481477 GYBQEYDJBKCPDF-BRPDVVIDSA-N 477.992 5.218 50 10 JKGE Cc1ccccc1NC(=O)N/N=C/c1cc(Br)c(Sc2ccc(Cl)cc2)o1 33703878 AUDLZJMKKFDECX-SSDVNMTOSA-N 464.772 6.311 50 10 JKGE C/C(=N\NC(=O)c1ccccc1NC(=O)c1ccc(Cl)cc1)c1ccc(Cl)c(Cl)c1 33958726 NZKDORYKFVNNAY-UVHMKAGCSA-N 460.748 6.053 50 10 JKGE Cc1ccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4ccc(OCC(C)C)cc4)ccc32)cc1 38649240 UIBUUXNPHLREQX-AREMUKBSSA-N 454.526 5.467 50 10 JKGE CCc1ccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4ccc(Cl)cc4Cl)ccc32)cc1 38677035 BJVUJVKUHDIQLB-QHCPKHFHSA-N 465.336 5.993 50 10 JKGE N#CC1=C(N)Oc2cc(OC(=O)COc3ccccc3)ccc2[C@H]1c1c(Cl)cccc1Cl 38679544 QYVBQDWWUAYFPY-JOCHJYFZSA-N 467.308 5.196 50 10 JKGE COc1ccc(OCC(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@@H]3c2c(Cl)cccc2Cl)cc1 38679668 OVOUWJALITYDCL-HSZRJFAPSA-N 497.334 5.205 50 10 JKGE CCOc1ccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4oc5cc(C)c(C)cc5c4C)ccc32)cc1 38701373 VNRHXLCCTHWJQM-HHHXNRCGSA-N 494.547 6.194 50 10 JKGE Cc1ccc(C(=O)NNC(=O)CCCc2c(-c3ccc4ccccc4n3)[nH]c3ccc(C)cc23)cc1 39867307 DZXMBCVMNJMQFK-UHFFFAOYSA-N 476.580 5.784 50 10 JKGE C=CCc1cc(/C=N\NC(=O)CC[C@@H](O)c2ccccc2)cc(OC)c1OCc1ccc(Cl)cc1 58887976 WBVMHUZKGACPBH-TZMKENEKSA-N 493.003 5.620 50 10 JKGE COc1ccc(/C=N/NC(=O)C2CC2)cc1COc1c(Cl)c(Cl)c(Cl)c(Cl)c1Cl 59120128 NUGQHVBDNVPQDW-JRXWSOMVSA-N 496.605 6.401 50 10 JKGE O=C(N/N=C1\C(=O)N(CCc2ccccc2)c2ccc(Br)cc21)c1cccc2ccccc12 59166584 OIJBHPWFWXRRNP-GNVQSUKOSA-N 498.380 5.326 50 10 JKGE CCOc1cc(/C=C(\C#N)C(=O)NCc2ccc(OC)cc2)ccc1OCc1cccc(F)c1 59224834 XHCUHYHQYIFENS-LPYMAVHISA-N 460.505 5.035 50 10 JKGE CCOc1ccc(NC(=O)N/N=C/c2cc(C)n(-c3ccc(C(=O)O)c(Cl)c3)c2C)cc1 59249824 GZHFKJJBNLMTSO-DHRITJCHSA-N 454.914 5.000 50 10 JKGE O=C(N/N=C/c1cc(Cl)cc(Cl)c1O)c1ccc(OCc2ccc(Br)cc2)cc1 59372172 OGNDHDSMJCUHTA-OPEKNORGSA-N 494.172 5.804 50 10 JKGE CSC1=C(SC)SC(=C(C#N)C(C#N)=C2SC(SC)=C(SC)S2)S1 90556879 FESVCMKIJUWCPG-UHFFFAOYSA-N 464.800 7.122 50 10 JKGE Cc1ccc(NC(=O)/C(C#N)=C\c2cn(Cc3ccc(Cl)cc3Cl)c3ccccc23)cc1C 96472463 UTCJORFSWVNLHK-NDENLUEZSA-N 474.391 7.159 50 10 JKGE CCSc1ccc(-c2nn(-c3ccccc3)cc2/C=C(\C#N)C(=O)c2nc3ccccc3s2)cc1 102863810 YSGWITHEWNRTSW-CAPFRKAQSA-N 492.629 7.051 50 10 JKGE Fc1ccc(Br)cc1[C@@H](Br)c1cc2c(cc1Br)OCCO2 109865749 BMOQFMVOOMVLJI-HNNXBMFYSA-N 480.953 5.606 50 10 JKGE Fc1cc(Br)ccc1[C@@H](Br)c1cc2c(cc1Br)OCCO2 109865760 RVJNXMGMSAZXMJ-OAHLLOKOSA-N 480.953 5.606 50 10 JKGE Clc1ccc([C@H](Br)c2cc3c(cc2Br)OCCO3)cc1Cl 109865927 HRQARJVKXNRORS-HNNXBMFYSA-N 452.957 6.011 50 10 JKGE Clc1ccc(Br)cc1[C@H](Br)c1cc(Cl)c(Br)s1 127607610 MCBVUSUHSLSIPK-JTQLQIEISA-N 479.846 7.064 50 10 JKGE Cc1cc(Br)c([C@@H](Br)c2cc3c(s2)CCC3)cc1Br 128814903 GAAYBXZYWDCODT-OAHLLOKOSA-N 465.048 6.555 50 10 JKGE Clc1cc([C@H](Br)c2cc(Cl)c(Br)s2)ccc1Br 148989431 PMHUVXRKULAVLP-JTQLQIEISA-N 479.846 7.064 50 10 JKGE Cl[C@@H](c1ccc2cc(Br)ccc2c1)c1cc(Br)sc1Br 159672451 RUQKMHSWOMDCPV-AWEZNQCLSA-N 495.461 7.517 50 10 JKGE O=C(c1cc(Br)sc1Br)N1CCC[C@@H]1CCCBr 232485153 CVWFSHXRPPZXJY-QMMMGPOBSA-N 460.029 5.053 50 10 JKGE Cl[C@H](c1ccc(Br)cc1)c1cc(Br)ccc1I 236039755 BXCMXJDOXCUBOD-CYBMUJFWSA-N 486.372 6.144 50 10 JKGE Cc1cc(C)nc(SCC(=O)NN=Cc2ccc(OCc3cccc4ccccc34)cc2)n1 254444254 YESBIXSTSICRBY-UHFFFAOYSA-N 456.571 5.068 50 10 JKGE CC(=NNC(=O)CSc1nnc(SCc2cccc3ccccc23)s1)c1ccccc1O 254872520 ZLXYMPZHUNRETN-UHFFFAOYSA-N 480.640 5.322 50 10 JKGE C[C@@H](COCc1ccccc1)n1c(CCl)nc2cc(I)c(F)cc21 390598573 AUZGBWKRLLTTLT-LBPRGKRZSA-N 458.702 5.297 50 10 JKGE O=C(N[C@H](CBr)C1CCCCC1)c1cc(Br)sc1Br 395189932 HUUUCRVJNMFERT-SNVBAGLBSA-N 474.056 5.347 50 10 JKGE CC[C@H](CC(F)(F)F)[C@@H](Br)c1cc(Br)c(C)cc1Br 402782654 NPBOOJUEPNRRGH-PRHODGIISA-N 466.961 6.935 50 10 JKGE C[C@H](COc1c(Br)cc(Br)cc1CBr)CC(F)(F)F 402941658 NZOAOZMGHUPJQJ-ZETCQYMHSA-N 468.933 6.074 50 10 JKGE C[C@]1(n2c(CCCl)nc3cc(I)ccc32)CCN(Cc2ccccc2)C1 405964698 OTNOLFMTDAQKDW-NRFANRHFSA-N 479.793 5.043 50 10 JKGE CC(C)(C)OC(=O)N1c2ccccc2NC[C@@H]1c1cccc(CO[Si](C)(C)C(C)(C)C)c1 616584413 FGJJBCDSMNNVON-HSZRJFAPSA-N 454.687 7.117 50 10 JKGE CC(C)(C)OC(=O)Nc1ccccc1[C@@H]1CCN(CCO[Si](C)(C)C(C)(C)C)c2ccccc21 616676060 WPJZBHAKIWNMTL-NRFANRHFSA-N 482.741 7.397 50 10 JKGE C[C@H]1CCCN(Cc2cc(Cl)ccc2I)[C@H]1CCBr 697260780 ZWKMQANAXLNUFZ-NHYWBVRUSA-N 456.593 5.330 50 10 JKGE CC[C@H](C)c1ccc([C@H](Cl)c2ccc(I)c(Br)c2)cc1 721573780 SCQUUALZCIMXIE-GTNSWQLSSA-N 463.584 6.895 50 10 JKGE CCCOc1c(Br)cc(/C=C(\C#N)C(=O)Nc2ccc(C)cc2C)cc1OCC 1084012787 LTOCXQHDJMMLGA-WOJGMQOQSA-N 457.368 5.799 50 10 JKGE CCOc1cc(/C=C(/C#N)C(=O)Nc2cccc(Cl)c2)ccc1OC(=O)c1ccc(C)cc1 1084143340 XXRIKNMMUHTEKB-MOSHPQCFSA-N 460.917 5.812 50 10 JKGE COc1ccc(NC(=O)C(=O)NN=Cc2ccc(-c3ccc(Cl)c(Cl)c3)o2)cc1Cl 1084249778 YXKUBEGSDCQBQW-UHFFFAOYSA-N 466.708 5.004 50 10 JKGE N#Cc1ccc(COc2ccc(Cl)cc2C=NNC(=O)c2ccccc2Br)cc1 1084275528 LNVYRHASPYNKIJ-UHFFFAOYSA-N 468.738 5.317 50 10 JKGE COc1cc(/C=C(/C#N)C(=O)Nc2cc(Cl)ccc2Cl)ccc1OCc1cccc(Cl)c1 1084312673 KIFFFIOXPAIQFP-MFOYZWKCSA-N 487.770 6.780 50 10 JKGE C=CCc1cc(C=NNC(=O)CC[C@H](O)c2ccccc2)cc(OC)c1OCc1ccc(Cl)cc1 1084435936 WBVMHUZKGACPBH-VWLOTQADSA-N 493.003 5.620 50 10 JKGE C[C@H](Sc1nnc(-c2ccccc2)n1-c1ccc(F)cc1)C(=O)C(C#N)=C1Nc2ccccc2N1 1087641283 BNYUSTOQQROQDI-INIZCTEOSA-N 482.544 5.396 50 10 JKGE Cc1nn(-c2ccccc2)c2c1C(=NNC(=O)c1ccccc1Br)CC(C)(C)C2 1772728434 MUFHBAHKWSRDIQ-UHFFFAOYSA-N 451.368 5.050 50 10 JKGE CCOc1ccc2c(=O)c(-c3ccc(Cl)cc3)c(C(=O)Nc3ccc(SC#N)cc3)oc2c1 1859765871 MMLUBYNXENFFFX-UHFFFAOYSA-N 476.941 6.338 50 10 JKGE CCCc1nn(CC)c2c1[C@@H](c1ccc(OCc3ccc(C)cc3)c(OCC)c1)C(C#N)=C(N)O2 1865688287 ONIOIVHXWLITKD-VWLOTQADSA-N 472.589 5.360 50 10 JKGE COc1ccc(-c2nn(-c3cccc4ccccc34)c3c2[C@H](c2ccc[nH]2)C(C#N)=C(N)O3)cc1 1865709681 DWXUARVTXMIHAN-DEOSSOPVSA-N 459.509 5.247 50 10 JKGE Cc1nc(-c2ccc(F)c(F)c2)ccc1C(=O)NNC(=O)[C@@H](Cc1ccccc1)c1ccccc1 1865757011 JIKYIVIARNUFTF-QHCPKHFHSA-N 471.507 5.123 50 10 JKGE CCOC(=O)c1c(-c2ccc3c(c2)CCCC3)csc1NC(=O)/C(C#N)=C/c1ccc(F)cc1 1866127713 BRXRSNDGZFDCHZ-FYJGNVAPSA-N 474.557 6.155 50 10 JKGE CCCC[C@H](NC(=O)Cc1nc(-c2cccc(F)c2)oc1C)C(=O)Nc1ccc(SC#N)cc1 1866658145 LRFRLIQUZNGMHZ-NRFANRHFSA-N 480.565 5.219 50 10 JKGE CC(C)c1ccc([C@@H](C(=O)N[C@H](Cc2ccccc2)C(=O)Nc2ccc(SC#N)cc2)C(C)C)cc1 1866965295 IGBZGHCVRWBARV-IZLXSDGUSA-N 499.680 6.489 50 10 JKGE CC(C)[C@@H](C(=O)N[C@H](C(=O)Nc1ccc(SC#N)cc1)c1ccccc1)c1ccc(F)cc1 1866970691 DAOVFMVYPMHURT-RPWUZVMVSA-N 461.562 5.635 50 10 JKGE Cc1cc(OCc2cccc(CCl)c2)cc2c1C(=O)/C(=C/c1c(Cl)cccc1Cl)O2 1871436974 GAGVPDSYRIGDTC-JJFYIABZSA-N 459.756 7.236 50 10 JKGE COC(=O)c1ccc(/C(C#N)=C/c2ccc(N3N=C(c4ccccc4)C[C@H]3c3ccccc3)cc2)o1 1872728751 RKZLFSPOTIJMHO-OLIAQGHGSA-N 473.532 6.486 50 10 JKGE COc1ccc(-c2csc(/C(C#N)=C(\O)c3ccc4c(c3)C(=O)N(C(C)(C)C)C4=O)n2)cc1C 1872744751 GWNFXEHYPLIBDZ-QOCHGBHMSA-N 473.554 5.472 50 10 JKGE N#C/C(=C(/O)[C@H]1CC(=O)N(Cc2ccccc2)C1)c1nc(-c2ccc3c(c2)CCCC3)cs1 1872745466 OBGODYFQMPWMMW-NFLAHJKKSA-N 455.583 5.530 50 10 JKGE COc1ccc(/C=C(C(/O)=C(\C#N)c2nc(-c3ccccc3Cl)cs2)\c2ccccc2)cc1 1872746565 NSFXZECWNIDOKB-SKSDSGLOSA-N 470.981 7.506 50 10 JKGE CC[C@H](C)[C@@H](/C(O)=C(\C#N)c1nc(-c2ccccc2OC)cs1)N1C(=O)c2ccccc2C1=O 1872746836 ARMXHAQSXOGWEQ-HNKRJOPDSA-N 473.554 5.322 50 10 JKGE Cc1cc(C)c(C)c(-c2csc(/C(C#N)=C(\O)c3cc([N+](=O)[O-])c(C)c([N+](=O)[O-])c3)n2)c1C 1872754500 VZDNBGFJRFQYJJ-XLNRJJMWSA-N 464.503 6.118 50 10 JKGE COc1cc(C)c(-c2csc(/C(C#N)=C(\O)[C@@H](C(C)C)N3C(=O)c4ccccc4C3=O)n2)cc1C 1872757994 GMEVFXNZRJBSDV-ULRLVEHFSA-N 487.581 5.549 50 10 JKGE COc1cc(C)c(-c2csc(/C(C#N)=C/c3ccc(OCc4ccccc4)c(OC)c3)n2)cc1C 1872794581 KEXKHYASUQDDQH-OEAKJJBVSA-N 482.605 7.087 50 10 JKGE COc1cc(C)c([C@@H](Cl)c2csc(Br)c2Br)cc1Br 1901673820 INYPNNPYMJBVFL-GFCCVEGCSA-N 489.454 6.681 50 10 JKGE O=C(c1csc(Br)c1Br)N1CC2(CCCC2)C[C@@H]1CBr 1912768364 JFVZABNQAMDSAB-SECBINFHSA-N 486.067 5.443 50 10 JKGE C[C@H](CCCl)N(Cc1ccccc1)C(=O)c1cc(Cl)ccc1I 1915091782 BSSUERIHXSCEPJ-CYBMUJFWSA-N 462.158 5.604 50 10 JKGE CC(C)(CBr)N(Cc1ccccc1)S(=O)(=O)c1ccccc1C(F)(F)F 1915770565 CXBVEBKLWLHDOZ-UHFFFAOYSA-N 450.320 5.070 50 10 JKGE Cc1cc([C@@H](Cl)c2sc(Br)cc2Br)sc1Br 1922932366 LCOGFLSKJPDGPT-MRVPVSSYSA-N 465.457 6.734 50 10 JKGE Brc1cc(Br)c([C@H](Br)c2cc3c(s2)CCCCC3)s1 1922954351 NGZPWNPYFUTDDJ-CYBMUJFWSA-N 485.104 7.088 50 10 JKGE Cc1ccc([C@H](Br)c2c(Br)sc(Br)c2Cl)c(Cl)c1 1923054425 FJFKSVZHABJDIA-VIFPVBQESA-N 493.873 7.373 50 10 JKGE CCCCCCCC[C@H](Br)c1c(Br)sc(Br)c1Cl 1923055515 UVFIGBRCIJHKCO-VIFPVBQESA-N 481.519 8.113 50 10 JKGE C[C@@H](c1ccncc1Br)[C@H](Br)c1cc(F)cc(Br)c1 1924040382 PGKWCZWQXXKDRA-RTHLEPHNSA-N 451.959 5.985 50 10 JKGE Fc1cc(Cl)c(Br)cc1[C@H](Br)c1nscc1Br 1948511849 WAIHCDUSTLRQQS-VIFPVBQESA-N 464.379 5.945 50 10 JKGE Cc1c(Br)sc([C@H](Br)CC2CC(F)(F)C2)c1Br 2014278037 DXYAIQITKZRGAK-SSDOTTSWSA-N 452.984 6.453 50 10 JKGE C[C@@H]1[C@@H](O[C@]2(CI)CCCN(C(=O)OC(C)(C)C)C2)CCC[C@H]1C 2022946855 DOTHOVMYXNFUMV-DRMAHVMPSA-N 451.389 5.032 50 10 JKGE Fc1ccc(I)cc1[C@@H](Br)Cc1ncccc1Br 2050464270 MHDLNGBHMSZGOR-NSHDSACASA-N 484.932 5.267 50 10 JKGE Clc1nc(Cl)n(-c2ccc(Br)c(Cl)c2Cl)c1CBr 2055099013 YINMYRKWFUQQNC-UHFFFAOYSA-N 453.776 6.143 50 10 JKGE Brc1cccc(CN2CC[C@H]3CC[C@@H](Br)[C@H]2C3)c1Br 2092328252 JPRMDNNSGGWZGJ-MPKXVKKWSA-N 452.028 5.350 50 10 JKGE CC(C)(C)c1ccc([C@H](Br)c2cccc(Br)c2Br)s1 2092329635 YQSJXYWBBWEMOG-CQSZACIVSA-N 467.064 7.055 50 10 JKGE Cc1cc(Br)c([C@H](Br)C2CC(C(F)(F)F)C2)cc1Br 2098324463 JCEXZPOLBKGOGM-WZQIAMPNSA-N 464.945 6.545 50 10 JKGE C[C@@]1([C@@H](Br)c2cc(Br)ccc2Br)CCCC(F)(F)C1 2132139784 CLONDEDAZLYBLP-QWHCGFSZSA-N 460.982 6.863 50 10 JKGE BrC[C@@H]1CCN(Cc2cccc(Br)c2Br)C12CCC2 2133811734 RDXGOFABBLZRLF-LBPRGKRZSA-N 452.028 5.351 50 10 JKGE COc1c(Br)cc(C)cc1[C@H](Br)c1cc(Br)oc1C 2139012238 ZWDJYKWUIHVNSA-CYBMUJFWSA-N 452.968 5.914 50 10 JKGE Cc1cc(Cl)ccc1COc1c(Br)cc(CBr)cc1Br 2144180571 KCIYDZMRANNTMO-UHFFFAOYSA-N 483.425 6.647 50 10 JKGE BrCc1cc(Br)cc(Br)c1OC[C@@]12CCC[C@@H](CO1)C2 2146244587 KCBHHMWPSPYJRT-BMIGLBTASA-N 469.011 5.445 50 10 JKGE FC(F)(F)c1ccc(CBr)c(Oc2ccccc2I)c1 2155764743 YKMUVYMAZFHGRJ-UHFFFAOYSA-N 457.027 5.997 50 10 JKGE FC12CCC([C@H](Br)c3cc(I)cc4c3OCC4)(CC1)C2 2157493256 VHMPSEYUNIBUKW-QQFBHYJXSA-N 451.117 5.335 50 10 JKGE ClCCc1nc2cc(Br)c(Cl)cc2n1C1(CCOCc2ccccc2)CC1 2159868048 NMWYMIQPBWIIJZ-UHFFFAOYSA-N 468.222 6.330 50 10 JKGE C[C@@H](N(Cc1ccccc1)S(=O)(=O)c1cc(Cl)cc(CBr)c1Cl)C(C)(C)C 2179864165 XKUSLRPMRYCVSA-CQSZACIVSA-N 493.294 6.514 50 10 JKGE C[C@@](CI)(O[C@@H]1CCCCC1(F)F)c1ccccc1Br 2197046866 OJTYXOJTYGMAMM-KGLIPLIRSA-N 459.112 5.694 50 10 JKGE BrCc1cccc(OC[C@@H]2CC2(Br)Br)c1Br 2210246547 UPWGWOPMCVOFHT-QMMMGPOBSA-N 477.816 5.229 50 10 JKGE CC(C)(CBr)N(Cc1ccccc1)S(=O)(=O)Cc1ccsc1Br 2210632604 DRJCIQWRSLYBNL-UHFFFAOYSA-N 481.275 5.016 50 10 JKGE FC1(F)CC[C@H](c2sc(Br)c(Br)c2Br)[C@H]1Cl 2212200468 MUOFCFOBMQQUGZ-WVBDSBKLSA-N 459.375 6.156 50 10 JKGE Clc1cc(Br)c([C@@H](Cl)c2cccc(OCc3ccccc3)c2)c(Cl)c1Cl 2224306211 ALLVFHMQRNMDGE-SFHVURJKSA-N 491.039 8.317 50 10 JKGE Cc1ccc(F)cc1[C@@H](Br)c1cc(Br)c(Br)cc1F 2225614932 AVJMHQIPDRYCQF-CQSZACIVSA-N 454.934 6.283 50 10 JKGE BrCCC[C@H]1CCCN(Cc2cc(Br)ccc2Br)C1 2225820309 ZNRVWPUQAXMHQK-LBPRGKRZSA-N 454.044 5.599 50 10 JKGE COc1ccc([C@@H](Br)c2c(C)sc(Br)c2C)cc1Br 2225869159 WRUSVYDGIRVGMW-CYBMUJFWSA-N 469.036 6.383 50 10 JKGE CCC1(C)CC([C@@H](Br)c2c(Br)cc(C)c(Br)c2C)C1 2227373419 ZQVQSOLHDONCIX-YWCUFVOSSA-N 453.056 7.091 50 10 JKGE Cc1cc2c(cc1Cl)nc(CCl)n2CC1(N(Cc2ccccc2)Cc2ccccc2)COC1 2228602240 RMINIVWOOKOLRM-UHFFFAOYSA-N 480.439 6.208 50 10 JKGE CC1(C)CN(Cc2ccc(Br)cc2Br)C[C@@H]1CCBr 2230116690 PFFPMHAKLYEURN-LBPRGKRZSA-N 454.044 5.455 50 10 JKGE Clc1cc(Br)c([C@@H](Br)CC(C2CC2)C2CC2)c(Cl)c1Cl 2232515531 ADTKIOZXWSQOPN-JTQLQIEISA-N 461.452 7.672 50 10 JKGE C[C@H](Cl)c1nc2cc(Br)c(Br)cc2n1-c1ccsc1Cl 2234058624 QODWUFRGMFMFGK-LURJTMIESA-N 455.002 6.565 50 10 JKGE CCCCc1ccc([C@H](Br)c2cc(Br)sc2Br)s1 2253413003 RKWBNFNVRHJRPQ-GFCCVEGCSA-N 473.093 7.162 50 10 JKGE COc1ccc([C@@H](Br)c2cccc(F)c2Br)cc1I 2269550388 ZJFXQUGBGQPZRL-CYBMUJFWSA-N 499.943 5.686 50 10 JKGE Cn1cc([C@@H](Cl)c2c(F)cc(Br)c(F)c2Br)c(Br)n1 2272728073 WKNQPYUFZXFJDA-SECBINFHSA-N 479.344 5.314 50 10 JKGE Clc1ccc([C@H](Br)Cc2cc(Br)cc(Br)c2)cc1Cl 2277898902 ZKJOEUZOKYGHGM-GFCCVEGCSA-N 487.844 7.197 50 10 JKGE Brc1cc(Br)cc(C[C@H](Br)[C@@H]2CC23CCOCC3)c1 2277958914 MIDPALLWXKMGDA-KBPBESRZSA-N 453.012 5.334 50 10 JKGE C[C@@H](c1ccncc1Br)[C@H](Br)c1cc(F)c(Br)cc1F 2282138685 PQIXUCTWVABOHO-WJWGPLDTSA-N 469.949 6.125 50 10 JKGE COc1cc(C)c([C@H](Cl)c2c(F)cccc2I)cc1Br 2282787376 POWGTWBIXUFYBA-HNNXBMFYSA-N 469.519 5.838 50 10 JKGE Fc1cc(Br)c(F)c(Br)c1[C@H](Br)CC[C@H]1CCCCO1 2288493228 PVSFLNPMVOTGDV-RKDXNWHRSA-N 476.981 6.275 50 10 JKGE Cc1cc(Br)c([C@H](Cl)c2cscc2S(C)(=O)=O)cc1Br 2288512327 IADJMDCFYOMVFB-ZDUSSCGKSA-N 458.624 5.313 50 10 JKGE CC(C=NNC(=O)CSc1nnc(SCc2ccc(Cl)cc2)s1)=Cc1ccccc1 2293749572 NVHPPUDORORFSI-UHFFFAOYSA-N 475.064 5.781 50 10 JKGE COc1ccc([C@H](Br)c2csc(Br)c2Br)c(OC)c1C 2295423439 JNRIFMSTIIOXBL-NSHDSACASA-N 485.035 6.083 50 10 JKGE CCS(=O)(=O)c1ccc(-c2nn(-c3ccccc3)cc2C=C(C#N)c2nc3ccccc3[nH]2)cc1 2295852229 RVLASLVIFNBWOR-UHFFFAOYSA-N 479.565 5.273 50 10 JKGE Cc1ccc(C[C@@H]2SC(=C(C#N)C(=O)Nc3ccc(C)c(Cl)c3)N(c3ccccc3)C2=O)cc1 2296506966 NMTFZGXZBINXSQ-DEOSSOPVSA-N 488.012 6.022 50 10 JKGE Cc1ccc(C[C@H]2SC(=C(C#N)C(=O)Nc3cccc(C)c3)N(c3ccccc3)C2=O)cc1 2296559577 STIFKEYWQFARPY-XMMPIXPASA-N 453.567 5.368 50 10 JKGE COc1cc(C=C(C#N)c2nc(-c3ccc(C)cc3C)cs2)ccc1OCc1ccccc1 2296789932 CEJMATLYMIJXMC-UHFFFAOYSA-N 452.579 7.079 50 10 JKGE Cc1cc(C=C(C#N)C(=O)N2CCn3c2nc2ccccc23)c(C)n1-c1cccc(C(F)(F)F)c1 2297382462 XQCVOSBSHLXPPL-UHFFFAOYSA-N 475.474 5.416 50 10 JKGE CCOC(=O)Nc1sc(C(C#N)=Cc2ccc([N+](=O)[O-])cc2)nc1-c1ccc(Cl)cc1 2297497784 JSQQZHPYFXROGX-UHFFFAOYSA-N 454.895 6.004 50 10 JKGE CO[C@@H]1C[C@]2([C@@H](Br)c3ccc(OCc4ccccc4)cc3Br)C[C@H]12 2299488492 HEOCAWTVDROYIB-RSPOEFSDSA-N 452.186 5.889 50 10 JKGE Brc1ccc(OCc2ccccc2)c([C@H](Br)C[C@@H]2C[C@H]2C2CC2)c1 2299500066 BZXYGTGQQDFCRI-XKGZKEIXSA-N 450.214 6.900 50 10 JKGE Brc1ccc(OCc2ccccc2)c([C@H](Br)[C@]23C[C@H](CCO2)C3)c1 2299522659 MHMLBIPTNCAKLR-RYGJVYDSSA-N 452.186 6.033 50 10 JKGE FC(F)COCC[C@H](Br)c1ccc(OCc2ccccc2)cc1Br 2299531000 RNVDPSZWNMIJTP-INIZCTEOSA-N 464.144 6.136 50 10 JKGE COc1cc(C=C(C#N)C(=O)Nc2cccc(Cl)c2Cl)ccc1OCc1ccc(C(=O)O)cc1 2313571563 ZCNDCJLRVUZSSI-UHFFFAOYSA-N 497.334 5.825 50 10 JKGE N#CC(=Cc1cn(Cc2ccc(F)cc2)c2ccccc12)C(=O)Nc1ccc(Cl)c(Cl)c1 2313630693 DWWJHPBTVXBECO-UHFFFAOYSA-N 464.327 6.681 50 10 JKGE N#CC(=Cc1ccc(OCc2cccc(Cl)c2)cc1)C(=O)Nc1ccc(Cl)c(Cl)c1 2313631685 UKSHFVSEMUTBNO-UHFFFAOYSA-N 457.744 6.771 50 10 JKGE Cc1cccc(C[C@H]2SC(=C(C#N)C(=O)N[C@@H](C)c3ccccc3)N(c3ccc(C)c(C)c3)C2=O)c1 2314593398 MISWIATZKHXNDG-WXVAWEFUSA-N 495.648 5.916 50 10 JKGE CCOc1cc(C=C2C(=O)N(Cc3ccco3)C(=O)C(C#N)=C2C)ccc1OCc1ccc(F)cc1 2314619020 YGSOCLRNIGKCJH-UHFFFAOYSA-N 486.499 5.189 50 10 JKGE COc1ccccc1[C@H]1C(C#N)=C(N)Oc2cc(OC(=O)C=Cc3ccc(C(C)(C)C)cc3)ccc21 2314634273 VCJLGNVZLVEXSO-MUUNZHRXSA-N 480.564 5.830 50 10 JKGE Fc1cc(Cl)c(Br)c(Cl)c1[C@@H](Br)c1cnsc1Br 2315641181 HVYDWWMPHGTXJH-ZETCQYMHSA-N 498.824 6.598 50 10 JKGE COc1sc([C@H](Cl)c2c(Br)c(Br)nn2C)cc1Br 2316834882 VRNLVEREPMPYDY-ZETCQYMHSA-N 479.419 5.106 50 10 JKGE CCOc1ccc(C=CC(=O)Oc2cccc(C=C(C#N)c3ccc(OC)cc3)c2)cc1OC 2320510753 BDWGRLOZJUKWJB-UHFFFAOYSA-N 455.510 5.785 50 10 JKGE CC(C)Oc1cccc(C=CC(=O)Nc2cccc(C(=O)Nc3ccc(SC#N)cc3)n2)c1 2321103624 KNVONQDZYNDNNO-UHFFFAOYSA-N 458.543 5.346 50 10 JKGE O=C(NN=Cc1ccc(OCc2ccc(Cl)cc2)cc1)c1ccc2[nH]c3c(c2c1)CCCC3 2321672275 ZSGHEARTBPJQTE-UHFFFAOYSA-N 457.961 6.043 50 10 JKGE CC(C)(C)OC(=O)N1CC[C@H](C2CCC3(CCC[C@H](CI)O3)CC2)C1 2327994472 YCMGNLUXCMQWSK-ZEVUXNIQSA-N 463.400 5.177 50 10 JKGE COC(=O)c1ccc(C(C#N)=Cc2cccc(OC)c2OCc2ccc(Cl)c(Cl)c2)o1 2331048503 QHODPSZYEVCNNY-UHFFFAOYSA-N 458.297 6.025 50 10 JKGE N#CC(=C(O)c1ccc2c(c1)C(=O)N(Cc1ccccc1)C2=O)c1nc(-c2ccc(F)cc2)cs1 2331343674 JOFMFRSKYBBDIO-UHFFFAOYSA-N 481.508 5.695 50 10 JKGE COc1cccc(C=C(C#N)c2nc(-c3cccc([N+](=O)[O-])c3)cs2)c1OCc1cccc(C)c1 2331416207 UYVVGWRQCGAALE-UHFFFAOYSA-N 483.549 6.679 50 10 JKGE CCOc1cc(C=C(C#N)c2nc(-c3ccc(OC)c(C)c3)cs2)cc(Br)c1O 2331430034 FWFXVFLGKIHZKY-UHFFFAOYSA-N 471.376 6.058 50 10 JKGE COc1cc(C=C(C#N)c2nc(-c3ccc(C(C)C)cc3)cs2)ccc1OC(=O)c1ccccc1 2331457875 RDIDEVJLDUGANY-UHFFFAOYSA-N 480.589 7.225 50 10 JKGE Cc1ccc(Oc2cc(I)ccc2Cl)c(CBr)c1Cl 2335418578 ZGEDFBYNURDYMX-UHFFFAOYSA-N 471.947 6.594 50 10 JKGE CC[C@H](Br)[C@H]1CCCCN1Cc1ccc(Cl)c(I)c1 2337230732 WNYIYHFERCTWND-SWLSCSKDSA-N 456.593 5.473 50 10 JKGE Cc1cc(Br)c(F)c(Br)c1[C@H](Br)C[C@H]1CCC1(F)F 2339690173 SPOXCSJZOUDENK-HTQZYQBOSA-N 464.945 6.531 50 10 JKGE FC1CC2(C1)CC(CCl)(Cc1ccc(I)c(Br)c1)C2 2349845416 OPNIFYZWXZHACR-UHFFFAOYSA-N 457.552 5.734 50 10 JKGE ClC[C@@H]1CCN(Cc2ccc(I)c(Br)c2)C12CCC2 2349851152 CLSATXMKJPMVGZ-LBPRGKRZSA-N 454.577 5.037 50 10 JKGE Brc1cc(OCc2ccccc2)ccc1[C@@H](Br)[C@@H]1CCOc2ccccc21 2361196636 ZMIVKZADFKBLOB-XXBNENTESA-N 488.219 7.030 50 10 JKGE FC(F)(F)[C@@H]1C[C@H](Br)CCN1Cc1ccc(Br)cc1Br 2361419877 CVALYRYCNAMWBG-PWSUYJOCSA-N 479.960 5.502 50 10 JKGE C[C@]1([C@H](Cl)c2c(Cl)cc(Br)c(F)c2Br)C[C@H]1C(F)(F)F 2362231807 HFQWBZWDNYUCPP-PFZYVWIYSA-N 458.902 6.873 50 10 JKGE COc1c(Br)cc(C)c([C@H](Br)C[C@H]2CCO[C@@H]2C)c1Br 2365217483 FIOLWLDPFUPYMY-GMTAPVOTSA-N 471.027 5.780 50 10 JKGE Clc1ccc([C@@H](Br)Cc2nc3ccccc3o2)c(I)c1 2365594942 DTIKBZGFMUNEGG-NSHDSACASA-N 462.512 5.765 50 10 JKGE COc1c(Br)cc(C)cc1[C@@H](Cl)c1ccc(Cl)cc1I 2365595660 MGRNRIXLJRXYBM-AWEZNQCLSA-N 485.974 6.352 50 10 JKGE CN(Cc1ccc(Cl)cc1I)C[C@@H](Br)C1CCCCC1 2366698211 ANSHHSITBFDTTC-OAHLLOKOSA-N 470.620 5.720 50 10 JKGE O=C(N[C@H](CCCl)COCc1ccccc1)c1cc(Br)cc(C(F)(F)F)c1 2369674983 ABONYIXBGHWCPV-QGZVFWFLSA-N 464.709 5.412 50 10 JKGE COc1ccc(/C=N/NC(=O)c2ccc([N+](=O)[O-])cc2)cc1COc1cc(C)c(Cl)c(C)c1 1949597 WXJJTHOTUALDJA-LGJNPRDNSA-N 467.909 5.217 50 10 JKGE CCSc1ccsc1[C@H]1C(C#N)=C(N)N(c2cccc(Cl)c2)C2=C1C(=O)CC(C)(C)C2 9981573 OSPMGMXAZKSSPS-FQEVSTJZSA-N 470.063 6.454 50 10 JKGE CCCOc1ccc(/C=C(/C#N)C(=O)Nc2ncc(Cc3ccc(Br)cc3)s2)cc1 15357205 BTFABNPKRVFUFL-PDGQHHTCSA-N 482.403 5.831 50 10 JKGE Cc1ccc(-c2ccc(/C=C(\C#N)c3nc(-c4ccc5ccccc5c4)cs3)o2)c([N+](=O)[O-])c1 28356041 UTUWMPCPHIBKNG-KGENOOAVSA-N 463.518 7.504 50 10 JKGE COc1cc(/C=C(/C#N)c2nc3ccccc3[nH]2)cc(Br)c1OCc1ccc(C#N)cc1 33467100 SHTULFILUYXISW-GRSHGNNSSA-N 485.341 5.849 50 10 JKGE CCCCC1CCC(C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@@H]3c2cccc(OCC)c2)CC1 38701235 BWQTXRCKAXQNIJ-HRYTWTRCSA-N 474.601 6.205 50 10 JKGE COc1ccccc1NC(=S)NNC(=O)c1ccc(-c2ccc(Cl)c(C(F)(F)F)c2)o1 39892605 GOMULOIREWHSIQ-UHFFFAOYSA-N 469.872 5.259 50 10 JKGE CCCCOc1ccccc1[C@H]1C(C#N)=C(N)Oc2cc(OC(=O)c3ccccc3[N+](=O)[O-])ccc21 40529734 DSNMAHKJVNVMOU-RUZDIDTESA-N 485.496 5.211 50 10 JKGE COc1ccc(C(=O)NNc2ncnc(Nc3ccc(/N=N/c4ccccc4)cc3)c2[N+](=O)[O-])cc1 40645906 IPQUXCPXTMEPMV-ZQHSETAFSA-N 484.476 5.309 50 10 JKGE COc1ccc(C)cc1NC(=O)c1oc2c(c1C)/C(=N/NC(=O)c1cccc(Cl)c1)CCC2 40813286 ZDXVHOBCNHAOAT-MTDXEUNCSA-N 465.937 5.281 50 10 JKGE Cc1c(C(=O)Nc2ccc(Oc3ccccc3)cc2)oc2c1/C(=N/NC(=O)c1cccs1)CCC2 40823650 CNRKURRCGIHCJW-XHLNEMQHSA-N 485.565 6.165 50 10 JKGE C/C(=N/NC(=O)c1ccc(CSc2nc3ccccc3s2)cc1)c1ccccc1Br 89262702 MKRYYGHPMPYWMZ-YSMPRRRNSA-N 496.455 6.505 50 10 JKGE Brc1cccc(Br)c1O[C@@H]1C[C@H](Br)C12CCCCCC2 97638414 RBULJNMIHHHASP-UONOGXRCSA-N 467.039 6.467 50 10 JKGE COc1cc([C@H](C(=O)NC2CCC(C)CC2)N(Cc2ccco2)C(=O)CCl)ccc1OC(C)C 97914793 CPXYTCBTSUMDFA-NOKYJCPASA-N 491.028 5.079 50 10 JKGE COc1ccc(-c2nn(-c3ccccc3)cc2/C=C2/C(=O)N(C(C)C)C(=O)C(C#N)=C2C)cc1Cl 101333725 VNBFXKBDTDKTOE-CIAFOILYSA-N 486.959 5.202 50 10 JKGE CC[C@H](C)N1C(=O)C(C#N)=C(C)/C(=C\c2cn(-c3ccccc3)nc2-c2ccc(OC)c(F)c2)C1=O 101334188 ABTJFCITNQLMDY-KOWBDXASSA-N 484.531 5.078 50 10 JKGE CC(C)(C)c1ccc(/C=C(/C#N)C(=O)Nc2ncc(Cc3ccc(Br)cc3)s2)cc1 102958374 ZHMMYVOICCJOHN-PDGQHHTCSA-N 480.431 6.340 50 10 JKGE Brc1ccc(Br)c([C@@H](Br)c2sccc2Br)c1 111222902 LXCFLMDVXGJMCP-SNVBAGLBSA-N 489.852 6.520 50 10 JKGE Fc1ccc([C@H](Br)c2cc(Br)ccc2Cl)cc1Br 126593905 NKRMTGOQUHVZJX-ZDUSSCGKSA-N 457.362 6.488 50 10 JKGE CC(C)Oc1cccc([C@@H](Br)c2cc(Br)c(Br)s2)c1 128239291 ZRQNLFQMMYXKDO-CYBMUJFWSA-N 469.036 6.545 50 10 JKGE Cc1cc([C@@H](Br)c2cc3[nH]c(=O)[nH]c3cc2Br)ccc1Br 137907050 KQOUFQZPTVPERT-CQSZACIVSA-N 474.978 5.174 50 10 JKGE Fc1cccc(C[C@@H](CBr)Cc2ccc(Br)cc2)c1Br 157902970 WRGLWJNQSIZTIA-LBPRGKRZSA-N 464.998 6.147 50 10 JKGE N#C/C(=C/c1cc([N+](=O)[O-])ccc1OCC(=O)Nc1ccccc1)c1nc(-c2ccco2)cs1 214015410 CVFCIOBFVBSUSO-BOPFTXTBSA-N 472.482 5.393 50 10 JKGE CCCCCCCCOc1ccc(/C=C2\C(=O)N(C3CCCC3)C(=O)C(C#N)=C2C)cc1OC 214361656 WVDNNYRIYOOMRX-QJOMJCCJSA-N 464.606 5.969 50 10 JKGE CCCCOC(=O)c1ccccc1NC(=O)/C(C#N)=C\N(Cc1ccccc1)c1ccccc1 217240819 JJSKQPZISFTQGN-LNVKXUELSA-N 453.542 5.696 50 10 JKGE Fc1cc([C@@H](Br)c2cc(Br)c(Cl)s2)ccc1Br 227848506 CBGCBUSFDSYXAE-SNVBAGLBSA-N 463.391 6.550 50 10 JKGE CCCOc1ccc([C@H](Cl)c2csc(I)c2)cc1Br 229002202 PSLVVRSGJNXDIM-AWEZNQCLSA-N 471.585 6.232 50 10 JKGE Cc1cc(Br)c([C@@H](Br)c2cccc(C)c2I)s1 235813081 AKZOWSCXYHNXMM-NSHDSACASA-N 486.010 6.216 50 10 JKGE Brc1ccc(Br)c([C@H](Br)[C@@H]2CC[C@@H]3CCCC[C@H]3C2)c1 250897375 QGVRRSWHUGIREG-APNQJHFZSA-N 465.067 7.254 50 10 JKGE CCCCc1ccc(OCC(=O)NN=Cc2ccc(OC(=O)c3cccc4ccccc34)cc2)cc1 254384711 DWSVWWMKIITOLO-UHFFFAOYSA-N 480.564 5.931 50 10 JKGE Fc1cc([C@H](Br)c2scc(C(F)(F)F)c2Br)ccc1Cl 380132315 NOSFAOAZPHLPIF-VIFPVBQESA-N 452.492 6.806 50 10 JKGE O=C(OCc1ccccc1)N1C[C@H](c2cc(Br)ccc2Cl)[C@@H](CBr)C1 382687575 KHWTVLDYFUCWRQ-YOEHRIQHSA-N 487.619 5.850 50 10 JKGE COc1c(Br)cc(Cl)cc1[C@@H](Br)c1coc(Br)c1 394121949 GOWKGVIBTDYJKZ-NSHDSACASA-N 459.359 5.951 50 10 JKGE Clc1cc([C@H](Cl)c2cc(Br)cc(Br)c2)c(Cl)c(Cl)c1Cl 404873166 NWMPNWLGUKRLQR-SNVBAGLBSA-N 498.256 8.153 50 10 JKGE Clc1ccc(I)c(CNCCCCCCI)c1 405299150 MJWZKSPGXYPSSW-UHFFFAOYSA-N 477.555 5.030 50 10 JKGE CN(C(=O)OC(C)(C)C)c1ccc([C@@H]2CCOCCN2CCO[Si](C)(C)C(C)(C)C)cc1 616597273 GSUWANWPBVRTMJ-QFIPXVFZSA-N 464.723 5.843 50 10 JKGE CC(C)(C)[Si](C)(C)OCCN1CCCC[C@H]1c1ccc(CO[Si](C)(C)C(C)(C)C)cc1 616616428 OEDJUTCFUYPJSB-DEOSSOPVSA-N 463.855 7.757 50 10 JKGE COCc1cc(Br)c([C@H](Br)c2cccc(Br)c2Cl)s1 688143297 FHGXRUAGXRKWDP-LLVKDONJSA-N 489.454 6.557 50 10 JKGE C[C@H]1CN(Cc2ccccc2)C[C@H]1n1c(CCCl)nc2ccc(F)c(Br)c21 689747011 WZSYZEPTBVAGIG-KBXCAEBGSA-N 450.783 5.412 50 10 JKGE Fc1cc(Br)cc(CCl)c1OCc1ccc(I)cc1 715826832 JTABDDRMOKXMDE-UHFFFAOYSA-N 455.492 5.511 50 10 JKGE C[C@H]1Cc2cc(Br)cc([C@@H](Br)c3cccc(OCc4ccccc4)c3)c2O1 720046366 XBTJEOZJOLQQLQ-NYHFZMIOSA-N 488.219 6.836 50 10 JKGE Fc1cccc([C@H](Br)Cc2cccc(Br)c2)c1I 721732378 SVCYBBPNAVXSBY-GFCCVEGCSA-N 483.944 5.872 50 10 JKGE N#C/C(=C\c1ccc(-c2ccc(-n3cnnn3)cc2)o1)c1nc(-c2ccc(Cl)cc2)cs1 1081127845 FGBQKWCLIYEFIS-GZTJUZNOSA-N 456.918 5.763 50 10 JKGE O=C(CSc1c(Cl)c(Cl)c(Cl)c(Cl)c1Cl)NN=Cc1ccccc1C(=O)O 1083948440 QFDYRDSKXCONBL-UHFFFAOYSA-N 486.591 5.894 50 10 JKGE COc1ccccc1C(=O)NN=Cc1ccc(Oc2ccc(C(F)(F)F)cc2[N+](=O)[O-])cc1 1083974503 RZNHDMCRRWBIDV-UHFFFAOYSA-N 459.380 5.178 50 10 JKGE Cc1ccc(NC(=O)NN=Cc2cc(Br)c(Sc3ccc(Cl)cc3)o2)c(C)c1 1084083966 SFBAZVJUDSYLRZ-UHFFFAOYSA-N 478.799 6.619 50 10 JKGE O=C(NN=Cc1ccccc1OCc1ccc(F)cc1)c1cc2cc(Br)ccc2o1 1084291167 DGOKLCKVCLCWRP-UHFFFAOYSA-N 467.294 5.677 50 10 JKGE COc1cc(C=NNC(=O)c2ccccc2-n2cccc2)ccc1OCc1cccc2ccccc12 1084590110 VAOFCPZZMMZACP-UHFFFAOYSA-N 475.548 5.982 50 10 JKGE Cc1c(C(=O)N2CCCCCC2)oc2c1C(=NNC(=O)C(c1ccccc1)c1ccccc1)CCC2 1772747962 HFIMNBVAUUSRLC-UHFFFAOYSA-N 483.612 5.593 50 10 JKGE Cc1c(C(=O)Nc2ccc(Cl)c(Cl)c2)oc2c1C(=NNC(=O)c1cccs1)CCC2 1772748316 BUUKOSOGOXRRQY-UHFFFAOYSA-N 462.358 5.679 50 10 JKGE Cc1ccc(C)c(NC(=O)c2oc3c(c2C)C(=NNC(=O)Cc2coc4c(C)c(C)ccc24)CCC3)c1 1772752165 WPOXTYUGNDHNGG-UHFFFAOYSA-N 497.595 6.220 50 10 JKGE O=C(CSc1nc2ccccc2[nH]1)NN=Cc1cccc(OCc2c(Cl)cccc2Cl)c1 1772760546 UINXQGZENBZCQV-UHFFFAOYSA-N 485.396 5.691 50 10 JKGE Cc1nn(Cc2ccccc2Cl)c2c1[C@@H](c1ccc(OCc3ccccc3)cc1)C(C#N)=C(N)O2 1865690413 QPWFLONPDNZKHY-SANMLTNESA-N 482.971 5.690 50 10 JKGE C=CCOc1ccccc1[C@H]1C(C#N)=C(N)Oc2c1c(CC)nn2Cc1c(F)cccc1Cl 1865691231 NKHDSWSWSSLMFZ-QFIPXVFZSA-N 464.928 5.069 50 10 JKGE CCCc1nn(-c2ccc(Cl)c(Cl)c2)c2c1[C@@H](c1cc(OC)ccc1OC)C(C#N)=C(N)O2 1865691838 CGTRFTADMSCDNA-NRFANRHFSA-N 485.371 5.367 50 10 JKGE CCOc1c(OC)cccc1[C@H]1C(C#N)=C(N)Oc2c1c(-c1ccccc1)nn2Cc1ccc(C)cc1 1865693127 LSTXIBZOVRRXQB-VWLOTQADSA-N 492.579 5.532 50 10 JKGE N#CC1=C(N)Oc2c(c(C(F)(F)F)nn2-c2cccc3ccccc23)[C@H]1c1ccc2c(c1)OCCO2 1865698044 ISRFMQWXBYSYQW-NRFANRHFSA-N 490.441 5.034 50 10 JKGE Cc1ccsc1[C@H]1C(C#N)=C(N)Oc2c1c(C(F)(F)F)nn2-c1ccc(Cl)c(Cl)c1 1865699665 ZKOUJVUDUJGTMI-ZDUSSCGKSA-N 471.291 5.786 50 10 JKGE Cc1ccccc1COc1ccc([C@@H]2C(C#N)=C(N)Oc3c2c(C)nn3-c2cccc3ccccc23)cc1 1865703693 ZJESLFXSQRWMDM-SSEXGKCCSA-N 498.586 6.440 50 10 JKGE CCn1nc(-c2ccc(OC)cc2)c2c1OC(N)=C(C#N)[C@@H]2c1ccc(OCc2ccccc2C)cc1 1865703699 ZNZOKPSMKDMMMA-SANMLTNESA-N 492.579 5.684 50 10 JKGE N#CC1=C(N)Oc2c(c(-c3ccccc3)nn2Cc2c(F)cccc2Cl)[C@H]1c1cccc(F)c1 1865711123 QASXZNFIMFFIAY-QFIPXVFZSA-N 474.898 5.748 50 10 JKGE CCCC[C@@H](NC(=O)[C@H](c1ccc(OC)cc1)C1CCCC1)C(=O)Nc1ccc(SC#N)cc1 1867011276 JIRJLGYKBFIQAR-RPBOFIJWSA-N 479.646 5.856 50 10 JKGE COCCc1nc(Nc2ccc(SC#N)cc2)cc(N2CCC[C@@H]2c2nc3ccccc3s2)n1 1868253487 IZQBNXVEDVORCC-HXUWFJFHSA-N 488.642 5.933 50 10 JKGE Cc1ccc2c(c1)CCN(c1cc(Nc3ccc(SC#N)cc3)nc(C(C)(C)C)n1)[C@H]2CC(C)C 1868342762 ZDUNLVYGKIQWLJ-VWLOTQADSA-N 485.701 7.549 50 10 JKGE N#C/C(=C(/O)c1ccccc1C(=O)c1ccccc1)c1nc(-c2ccc(Cl)cc2Cl)cs1 1872744654 BPEJYAOJOROMIO-GFMRDNFCSA-N 477.372 7.298 50 10 JKGE N#C/C(=C(/O)CCc1nc2ccccc2[nH]c1=O)c1nc(-c2ccc3c(c2)CCCC3)cs1 1872745344 ISEBIKMHQWWDIZ-CLCOLTQESA-N 454.555 5.351 50 10 JKGE CCOc1ccc(-c2csc(/C(C#N)=C(\O)c3ccc4c(c3)C(=O)N(C(C)C)C4=O)n2)cc1 1872747443 CYKCADWVRGKNFF-XDOYNYLZSA-N 459.527 5.163 50 10 JKGE Cc1ccc(-c2csc(/C(C#N)=C(\O)[C@@H](C)Oc3ccc(Cl)cc3Br)n2)cc1C 1872756745 YTTPLYJKHCWXKL-GICLCMKGSA-N 489.822 7.103 50 10 JKGE N#C/C(=C(/O)CCCOc1ccc2ccccc2c1)c1nc(-c2ccc(Cl)s2)cs1 1872758204 PPPXUDNLVVZRMY-ZZEZOPTASA-N 452.988 7.330 50 10 JKGE N#C/C(=C(/O)c1ccc(N2C(=O)c3ccccc3C2=O)cc1)c1nc(-c2ccc(Cl)s2)cs1 1872758429 ZOGDDBIGWXKXSE-FXBPSFAMSA-N 489.965 6.275 50 10 JKGE CCCCOc1ccc(/C(O)=C(\C#N)c2nc(-c3cc(Cl)ccc3OC)cs2)cc1OCC 1872758768 PQCKLHOVZZMXLW-CLCOLTQESA-N 485.005 7.000 50 10 JKGE CCOc1ccc(OCC)c(-c2csc(/C(C#N)=C/c3cc4c(cc3[N+](=O)[O-])OCCO4)n2)c1 1872792730 OQEREXBSNBJPBZ-CXUHLZMHSA-N 479.514 5.351 50 10 JKGE COc1ccc(OC)c(-c2csc(/C(C#N)=C(\O)c3ccccc3C(=O)c3ccccc3)n2)c1 1873921143 XIJGUPQRVSQLJE-ROMGYVFFSA-N 468.534 6.008 50 10 JKGE N#C/C(=C(/O)c1ccc(Cl)c([N+](=O)[O-])c1)c1nc(-c2ccc(-c3ccccc3)cc2)cs1 1873940676 CFFJDURIQJNTOE-NMWGTECJSA-N 459.914 6.989 50 10 JKGE Clc1csc(CC(CBr)(CBr)c2cccc(Br)c2)n1 1888442218 JHWFBDSWXQDOHQ-UHFFFAOYSA-N 488.470 5.829 50 10 JKGE C[C@H](Br)CN(Cc1ccccc1)S(=O)(=O)c1ccc(Cl)c(C(F)(F)F)c1 1914655030 MXJSUVARRANINH-LBPRGKRZSA-N 470.738 5.333 50 10 JKGE CN(C[C@H](Br)COCc1ccccc1)c1ncc(Br)cc1Br 1916347237 HKAVQUWEULJTFM-AWEZNQCLSA-N 493.037 5.023 50 10 JKGE Cc1c(Br)sc([C@H](Br)[C@@H]2CC[C@H]3CCCC[C@@H]3C2)c1Br 1922882220 GOCAKYIHCYUXOX-HKUMRIAESA-N 485.123 7.624 50 10 JKGE Cc1ccc(Cl)cc1[C@H](Br)c1sc(Br)c(C)c1Br 1922954924 UKXLUVBQFMCIQG-NSHDSACASA-N 473.455 7.028 50 10 JKGE Cc1ccc([C@@H](Br)c2c(Br)sc(Br)c2Cl)cc1C 1923038733 KKYQDNATRQJWTI-SNVBAGLBSA-N 473.455 7.028 50 10 JKGE CC(F)(F)C(C)(C)[C@@H](Br)c1c(Br)sc(Br)c1Cl 1923047139 AFHQJEYXTJVVLD-LURJTMIESA-N 475.418 7.044 50 10 JKGE CC(C)([C@@H]1CCCO1)[C@@H](Br)c1c(Br)sc(Br)c1Cl 1923067949 KQNAWPHOGZHROR-RCOVLWMOSA-N 481.475 6.568 50 10 JKGE CCn1cc([C@H](Br)[C@@H](C)c2ccncc2Br)nc1Br 1924056777 NMGLFVVXFPXYAG-QPUJVOFHSA-N 451.988 5.063 50 10 JKGE C[C@@H](c1ccncc1Br)[C@H](Cl)c1cccc(Br)c1Br 1924066252 FKGYTOKIIBGHLU-RTHLEPHNSA-N 468.414 6.453 50 10 JKGE Brc1sc(Br)c([C@H](Br)c2ccsc2)c1Br 1924576687 RFPOSLHJACEIAX-ZCFIWIBFSA-N 495.881 6.581 50 10 JKGE COCc1csc([C@@H](Cl)c2c(Br)sc(Br)c2Br)c1 1924608211 FMKROOUAZLAEBY-SECBINFHSA-N 495.483 6.572 50 10 JKGE FC(F)(F)c1cc([C@@H](Br)c2c(Cl)sc(Br)c2Cl)cs1 1925561670 QPLFCIJTTUIPES-ZCFIWIBFSA-N 474.976 7.382 50 10 JKGE Clc1ccc([C@@H](Br)c2c(Cl)sc(Br)c2Cl)cc1Cl 1925589890 VYTHYLKSGSVFQI-MRVPVSSYSA-N 469.840 7.609 50 10 JKGE Clc1ccc([C@H](Br)c2c(Cl)sc(Br)c2Cl)cc1Cl 1925589892 VYTHYLKSGSVFQI-QMMMGPOBSA-N 469.840 7.609 50 10 JKGE CCCc1ccc([C@H](Br)c2csc(Br)c2Br)s1 1945189158 KFHIHIFYUQUNRH-SNVBAGLBSA-N 459.066 6.771 50 10 JKGE COCCCCN(Cc1ccccc1)c1c(CBr)ccc(Br)c1Cl 1948742130 XHHUVUUUUZNLSR-UHFFFAOYSA-N 475.652 6.431 50 10 JKGE C[C@@H]1CCO[C@H]1C[C@H](Cl)c1c(Br)sc(Br)c1Br 1951106320 XHBNNPMVYPQWDK-VQVTYTSYSA-N 467.448 6.131 50 10 JKGE Cc1c(Br)sc([C@@H](Cl)c2cc(Br)sn2)c1Br 1983288407 BGHNGUZXFILTSN-ZETCQYMHSA-N 466.445 6.129 50 10 JKGE CC(C)(F)[C@@](C)(F)[C@@H](Br)c1c(Br)sc(Br)c1Cl 2003231969 MIQYRJCDWPMFPH-WKEGUHRASA-N 475.418 6.839 50 10 JKGE BrCc1ccc(Br)cc1N1C[C@H]2CCN(Cc3ccccc3)[C@H]2C1 2015070550 YSMBJDIFJMQKGU-XLIONFOSSA-N 450.218 5.055 50 10 JKGE Cc1cc([C@H](Br)c2ccc(Br)cc2I)sc1C 2026211854 QCGQFXJIPXPTRQ-CYBMUJFWSA-N 486.010 6.216 50 10 JKGE Cc1cc(C)c(S(=O)(=O)N(CCN(C)Cc2ccccc2)Cc2ccccc2)cc1CCl 2034748398 FWPIGLQUQUUMIZ-UHFFFAOYSA-N 471.066 5.365 50 10 JKGE CN(c1ccc(CBr)cc1Br)[C@H]1CC(C)(C)[C@H]1OCc1ccccc1 2038794372 KPPQQSMUGBLAFR-PMACEKPBSA-N 467.245 6.164 50 10 JKGE BrCc1ccc(N2CC[C@@H]3CN(Cc4ccccc4)C[C@@H]3C2)cc1Br 2049664068 DTBVVBVKOLXFBM-RTBURBONSA-N 464.245 5.302 50 10 JKGE Cc1c(Br)sc([C@H](Br)[C@@H]2OCCOC2(C)C)c1Br 2066673985 IPQAFAAJWCZIFJ-WPRPVWTQSA-N 463.029 5.212 50 10 JKGE Cc1c(Br)sc([C@@H](Br)[C@@]23CC[C@@H](C2)[C@@H](C)O3)c1Br 2078504555 DQCLBKHXYXUUIV-LVNATWPUSA-N 459.041 5.975 50 10 JKGE Brc1ccc([C@H](Br)c2cc3cscc3s2)c(Br)c1 2083319410 YTRSKVSCZMJDLI-ZDUSSCGKSA-N 467.045 6.972 50 10 JKGE Fc1cc(Br)cc([C@H](Cl)c2ccc(Br)cc2Br)c1 2083330144 LMNGRDYFNNRBCA-ZDUSSCGKSA-N 457.362 6.441 50 10 JKGE BrCc1ccc(N2CC[C@@H]3CCN(Cc4ccccc4)C[C@@H]3C2)c(Br)c1 2092523598 JEGWOIMSPUBGIE-VQTJNVASSA-N 478.272 5.692 50 10 JKGE Cc1cc(F)c([C@@H](Br)c2c(Br)cccc2Br)cc1Cl 2094094532 CTSNRTWICPFWPC-CQSZACIVSA-N 471.389 6.797 50 10 JKGE Clc1ccc(Br)c([C@H](Br)c2cc(C3CC3)c(Br)s2)c1 2094673524 MBGUQMKABMTHPY-ZDUSSCGKSA-N 485.466 7.288 50 10 JKGE BrCc1c(Br)cccc1N1CCC[C@@]2(CCN(Cc3ccccc3)C2)C1 2107015034 MWCKBEXAULJILY-QFIPXVFZSA-N 478.272 5.837 50 10 JKGE Clc1ccc(COc2cccc(Br)c2CBr)cc1Br 2110517286 ALSXMGRHJAPNJU-UHFFFAOYSA-N 469.398 6.339 50 10 JKGE CC(C)Cc1ccc([C@@H](Br)c2cc(I)ccc2F)s1 2113350084 AELJFBNBKIXKFS-HNNXBMFYSA-N 453.158 6.175 50 10 JKGE CC(C)Cc1ccc([C@H](Br)c2cc(I)ccc2F)s1 2113350085 AELJFBNBKIXKFS-OAHLLOKOSA-N 453.158 6.175 50 10 JKGE Clc1ccc(Br)cc1CC[C@H](Br)c1ccccc1Br 2113450542 VEYBUEOSHKEIHC-AWEZNQCLSA-N 467.426 6.934 50 10 JKGE CN(c1ccc(Br)cc1)c1cc(Br)cc(F)c1CBr 2114274313 LJPBWXJPVMZKMM-UHFFFAOYSA-N 451.959 6.014 50 10 JKGE Cc1cc(F)c(C[C@H](Br)c2ccc(Br)cc2)c(Br)c1 2116782281 NLZAYXSQLRKXEZ-ZDUSSCGKSA-N 450.971 6.338 50 10 JKGE CO[C@@H]1CC([C@@H](Cl)c2c(Br)sc(Br)c2Br)C[C@H]1OC 2118265875 CSBKHDOZLWIBPG-BRDIYROLSA-N 497.474 5.756 50 10 JKGE COc1cc(Cl)c([C@@H](Br)c2ccc(OCc3ccccc3)cc2)cc1Br 2137649039 SSJNDJRZPUTRFC-NRFANRHFSA-N 496.626 7.174 50 10 JKGE C[C@@](CBr)(Cc1ccc(I)c(Cl)c1)C1CCCCC1 2142939471 HFVKRONIYQZCAW-INIZCTEOSA-N 455.605 6.469 50 10 JKGE Clc1ccc(I)c(CN2CC3(CCC3)CC[C@H]2CBr)c1 2152055005 AIQPLRYWJZDPAH-AWEZNQCLSA-N 468.604 5.474 50 10 JKGE Fc1ccc([C@@H](Br)c2sc(Cl)cc2Br)cc1C(F)(F)F 2154474983 FPMQOGGUNSTMRQ-SNVBAGLBSA-N 452.492 6.806 50 10 JKGE CCc1nsc(CC(CBr)(CBr)c2cccc(Br)c2)n1 2158912799 GQYXTZHMZKCATH-UHFFFAOYSA-N 483.067 5.133 50 10 JKGE CCCCCCCCCC[C@H](Br)c1c(Cl)sc(Br)c1Cl 2164488354 WCOKJHLKDIQZIP-NSHDSACASA-N 465.122 8.784 50 10 JKGE O=S(=O)(Cc1cccc(CBr)c1)N(Cc1ccccc1)CC1CCCCC1 2179789308 OVBQYIPWRZNQEG-UHFFFAOYSA-N 450.442 5.494 50 10 JKGE Cc1cc(Br)c(C)c([C@H](Br)[C@@H]2C[C@@H]3C[C@H]3C[C@@H]2C)c1Br 2201065121 NISMIKWGTIOWHM-MOEUKSPASA-N 465.067 6.947 50 10 JKGE COc1c(C)cc(Br)cc1[C@@H](Br)c1ccc(Br)cc1Cl 2206572634 XLQGQMIVEHBUHI-AWEZNQCLSA-N 483.425 6.666 50 10 JKGE COc1c(C)cc(Br)cc1[C@@H](Br)c1c(C)cccc1Br 2206599026 SCMGEVSCLJSEPR-OAHLLOKOSA-N 463.007 6.321 50 10 JKGE O=[N+]([O-])c1ccccc1C[C@@H](Cl)c1ccc(Br)cc1I 2207264681 INKUKLRVUKOSRQ-GFCCVEGCSA-N 466.500 5.485 50 10 JKGE C[C@H](Cl)C[C@H]1CCCCN1C(=O)c1ccc(Br)cc1I 2207267496 GEKFLWMSXAOWMT-CMPLNLGQSA-N 470.576 5.066 50 10 JKGE CN(CCn1c(CCCl)nc2cc(Br)c(Br)cc21)Cc1ccccc1 2218656785 GJZIBEZIZDHXOU-UHFFFAOYSA-N 485.651 5.475 50 10 JKGE Cl[C@H]1C[C@H](c2sc(Br)c(Br)c2Br)CC2(CCC2)C1 2222451306 YZLPEPVQIGKRRY-YUMQZZPRSA-N 477.487 7.081 50 10 JKGE Clc1cc(Cl)cc(C[C@@H](Br)c2cccc(I)c2)c1 2224004360 OHBYZMPHJNMXQN-CQSZACIVSA-N 455.948 6.277 50 10 JKGE C[C@@H](Cl)c1nc2ccc(Br)cc2n1C[C@H]1CC1(Br)Br 2224806625 QSYKQAOCYOWXJV-HTQZYQBOSA-N 471.418 5.605 50 10 JKGE Fc1cc(Br)c(Br)cc1[C@@H](Cl)c1ccc(Cl)cc1Br 2225635039 SLHJZBAMTNUQDT-ZDUSSCGKSA-N 491.807 7.095 50 10 JKGE Cc1sc([C@@H](Br)Cc2ccc(Br)cc2Cl)c(C)c1Br 2229147934 PONJZVUVUSRGEX-NSHDSACASA-N 487.482 7.222 50 10 JKGE O=C(Nc1ccc(Cl)cc1CBr)c1ccc(F)cc1I 2239645327 FBZSMBJRORGLOS-UHFFFAOYSA-N 468.491 5.231 50 10 JKGE Cc1ccc(I)c([C@H](Cl)c2cc3c(cc2Br)OCC3)c1 2240996245 MGAGUBURKBVVPC-MRXNPFEDSA-N 463.540 5.625 50 10 JKGE FC(F)[C@@H]1CCC[C@H]1[C@H](Br)c1c(Br)sc(Br)c1Cl 2257870276 UKGUFRWXMQYTOA-XAHCXIQSSA-N 487.429 7.044 50 10 JKGE BrCC(CBr)(CCc1ccccc1)Cc1nscc1Br 2286721616 TVWICGDEIYDLRR-UHFFFAOYSA-N 482.079 5.857 50 10 JKGE COc1ccccc1OCCCC(=O)Oc1ccc(C=C(C#N)c2ccc(Cl)cc2)cc1OC 2293198063 CNGSMJVECLVBES-UHFFFAOYSA-N 477.944 6.186 50 10 JKGE CCOC(=O)C(C#N)=Cc1cc(Br)ccc1OCCOc1ccc([C@@H](C)CC)cc1 2293328978 UGRGUZMJRYUGJK-KRWDZBQOSA-N 472.379 5.890 50 10 JKGE CC(C)(C)O[C@H]1C[C@@H]([C@@H](Br)Cc2cc(Br)cc(Br)c2)C1 2295344969 GNEOWDNTVDNCRF-GLQYFDAESA-N 469.055 6.111 50 10 JKGE N#CC(=Cc1cc(Br)c(Br)s1)C(=O)Nc1cccc(Cl)c1Cl 2295561179 YPUZMUXQCHAJOU-UHFFFAOYSA-N 480.996 6.126 50 10 JKGE Cn1cc(C=C(C#N)C(=O)Nc2ncc(Cc3cc(Cl)ccc3Cl)s2)c2ccccc21 2296819044 ODIOMDUTOZAYCH-UHFFFAOYSA-N 467.381 6.078 50 10 JKGE N#CC(=Cc1ccc(-c2cccc(C(F)(F)F)c2)o1)c1nc(-c2cc3ccccc3oc2=O)cs1 2297369450 YVIAHGCPYQAPOT-UHFFFAOYSA-N 490.462 7.259 50 10 JKGE C=CCOC(=O)c1sc(NC=C(C#N)c2nc(-c3cccs3)cs2)c(C(=O)OCC)c1C 2297467537 XPJXCJDDGZVLBN-UHFFFAOYSA-N 485.612 5.738 50 10 JKGE FC(F)(F)C1([C@H](Br)c2cc(Br)ccc2OCc2ccccc2)CC1 2299505171 UMEDXRXTWJONTN-MRXNPFEDSA-N 464.119 6.807 50 10 JKGE CCC1CC(C[C@H](Br)c2cc(Br)ccc2OCc2ccccc2)C1 2299505385 WMMWEKLAOAJGLV-LAGYLCCXSA-N 452.230 7.290 50 10 JKGE CCOc1cc(C=C(C#N)C(=O)NCc2ccccc2)cc(Br)c1OCc1ccccc1 2313518863 XALUMWSTJQAZCX-UHFFFAOYSA-N 491.385 5.650 50 10 JKGE COc1cc(C=C(C#N)C(=O)Nc2cc(Cl)ccc2Cl)ccc1OCc1ccc(F)cc1 2313631950 ZQAKTJFYGZJLMW-UHFFFAOYSA-N 471.315 6.266 50 10 JKGE FC1(F)CCCC[C@@H]1[C@H](Br)c1cc(Br)ccc1OCc1ccccc1 2314447743 BKDVWTYFEPCNCZ-IEBWSBKVSA-N 474.183 7.290 50 10 JKGE O=S1(=O)CCC([C@@H](Br)c2cc(Br)ccc2OCc2ccccc2)CC1 2314452324 MAIYVXFMTCNSHI-LJQANCHMSA-N 488.241 5.289 50 10 JKGE N#CC(=C(O)c1ccc(-c2ccc(Cl)cc2Cl)o1)c1nc(-c2ccc3ccccc3c2)cs1 2314457680 UZAUEQTVSXCWMJ-UHFFFAOYSA-N 489.383 8.480 50 10 JKGE Cc1sc([C@@H](Br)c2ccc(OCc3ccccc3)cc2Br)c(C)c1C 2314502794 LYMHRORPTYKNCX-FQEVSTJZSA-N 480.265 7.499 50 10 JKGE COc1cc(C=C(C#N)C(=O)NC2CCCCC2)ccc1OCc1c(Cl)cccc1Cl 2314739778 NQXYXHWXCLWLJD-UHFFFAOYSA-N 459.373 5.937 50 10 JKGE Cc1cc(I)ccc1NC=C(C#N)C(=O)Nc1cccc(Cl)c1C 2324326105 VJLNXIFZHZZDLO-UHFFFAOYSA-N 451.695 5.020 50 10 JKGE COC[C@]1(C)C[C@@]1(CBr)Cc1ccc(I)c(Br)c1 2325223510 YFAOVKIWKZCNTG-UONOGXRCSA-N 488.001 5.034 50 10 JKGE C[C@H](C(O)=C(C#N)c1nc(-c2ccc(Br)cc2)cs1)N1C(=O)c2ccccc2C1=O 2331259672 KXBNRVXOESLLKU-GFCCVEGCSA-N 480.343 5.050 50 10 JKGE Cc1ccc(-c2csc(C(C#N)=C(O)C(=Cc3ccc(OC(C)C)cc3)c3ccccc3)n2)c(C)c1 2331310962 ZPCAJIMXDGPOPY-UHFFFAOYSA-N 492.644 8.248 50 10 JKGE COc1ccc(C)cc1-c1csc(C(C#N)=C(O)CCCOc2cc(C)c(Cl)c(C)c2)n1 2331323666 RKMDIFDBEWBMHX-UHFFFAOYSA-N 469.006 7.049 50 10 JKGE COc1cc(C)c(-c2csc(C(C#N)=C(O)Cc3cc(Cl)ccc3Cl)n2)cc1C(C)C 2331352186 PRAXCJUKYJDIJC-UHFFFAOYSA-N 473.425 7.593 50 10 JKGE COc1c(C)cc(C)cc1-c1csc(C(C#N)=C(O)c2ccc(N3CCOCC3)c([N+](=O)[O-])c2)n1 2331376121 GCVNBQLWFAAWHI-UHFFFAOYSA-N 492.557 5.130 50 10 JKGE COc1cc(C=C(C#N)c2nc(-c3ccc(F)c(F)c3)cs2)ccc1OCCCc1ccccc1 2331463963 JHSXYERTOBESNY-UHFFFAOYSA-N 488.559 7.173 50 10 JKGE CCCCCOc1ccc(C=C(C#N)c2nc(-c3ccc(Oc4ccccc4)cc3)cs2)cc1 2331464596 WCMDOKWFUFJQKV-UHFFFAOYSA-N 466.606 8.236 50 10 JKGE Brc1ccc(OCc2ccccc2)c([C@H](Br)[C@@H]2COc3ccccc32)c1 2336046124 BJSSYDZFAICHDF-KNQAVFIVSA-N 474.192 6.640 50 10 JKGE CC1(C)C[C@H](Br)CCN(Cc2ccc(Cl)c(I)c2)C1 2337222659 BZZGMBOBFGVCJB-GFCCVEGCSA-N 456.593 5.330 50 10 JKGE Cc1cc(Br)c(F)c(Br)c1[C@@H](Br)CC1CCOCC1 2339685997 JRUBKHLQAHJADP-JTQLQIEISA-N 458.991 5.912 50 10 JKGE COC[C@]1(C)C[C@@H]1[C@H](Br)c1c(C)cc(Br)c(F)c1Br 2339689312 NOJRGWUYVJQGJZ-YKHWKNEFSA-N 458.991 5.768 50 10 JKGE Fc1ccccc1[C@H](CBr)Cc1ccc(I)c(Br)c1 2349840008 BVKDABCEBSRABH-NSHDSACASA-N 497.971 5.914 50 10 JKGE Cl[C@@H]1CC[C@H]2CCN(Cc3ccc(I)c(Br)c3)[C@H]1C2 2349857649 UUUWTBNDWRONLU-ZBINZKHDSA-N 454.577 5.036 50 10 JKGE Fc1cccc([C@@H](Br)CCc2cc(I)ccc2Cl)c1 2352432111 OXVNKHGNYIJGFK-AWEZNQCLSA-N 453.520 6.153 50 10 JKGE Fc1cc(Cl)c(Br)c(Cl)c1[C@H](Cl)c1cc(Br)ccc1Cl 2360491512 GWGWRBQMFPGHOA-GFCCVEGCSA-N 481.801 7.639 50 10 JKGE CCC[C@@H](CC(C)C)[C@@H](Br)c1c(Cl)cc(Br)c(F)c1Br 2362220096 FAQLHZOFZXDDOZ-TVQRCGJNSA-N 493.480 7.903 50 10 JKGE CC1(C)OCCC[C@H]1[C@@H](Br)c1c(Cl)cc(Br)c(F)c1Br 2362232789 RXFSSTOVKWUPMA-WRWORJQWSA-N 493.436 6.645 50 10 JKGE Cl[C@@H]1C[C@H](Oc2cc(Br)cc(I)c2)[C@@]12CCCC21CC1 2364268199 RZKAYPDQSSGADX-IJEWVQPXSA-N 467.572 5.763 50 10 JKGE Cc1cc(Br)c(F)c(Br)c1[C@@H](Br)c1cc(Cl)ccc1F 2365186238 OHVJKHCAKSGYHC-LBPRGKRZSA-N 489.379 6.936 50 10 JKGE O=C(NCC[C@H]1CCCC[C@H]1Br)c1ccc(Cl)cc1I 2365595974 PNFYMRWPWWXERF-ZWNOBZJWSA-N 470.576 5.018 50 10 JKGE BrCC1C[C@@H]2C[C@H](C1)CN(Cc1ccc(Br)cc1Br)C2 2368380996 JNPMOJDSGSEUQT-YHWZYXNKSA-N 466.055 5.455 50 10 JKGE CCc1cc(Br)c(OC)c([C@@H](Br)c2scc(C)c2Br)c1 2381254756 UEDTZCUTRNDRSX-CYBMUJFWSA-N 483.063 6.637 50 10 JKGE O=C(NC1CCCCCC1)[C@@H](c1ccc(F)cc1Cl)N(Cc1ccccc1Cl)C(=O)CCl 3039232 FHPUAJRKXABRHD-HSZRJFAPSA-N 499.841 6.280 50 10 JKGE N#C/C(=C\c1ccc(-n2nc(-c3ccccc3)cc2-c2ccccc2)cc1)C(=O)NCc1ccccc1 33568560 AEJASFPIPCTHJM-VFCFBJKWSA-N 480.571 6.430 50 10 JKGE CCOC(=O)/C(C#N)=C/C=C(\c1ccc(Cl)cc1)N1CCN(c2ccc(Cl)c(Cl)c2)CC1 33686198 XCUUEOKEHJCWQG-WVEULZSRSA-N 490.818 5.823 50 10 JKGE CCOc1ccccc1[C@@H]1C(C#N)=C(N)Oc2cc(OC(=O)c3oc4cc(C)ccc4c3C)ccc21 38687442 ACFNHTYOCYJPLB-SANMLTNESA-N 480.520 5.886 50 10 JKGE Cc1cc(C)c2c(C)c(C(=O)Oc3ccc4c(c3)OC(N)=C(C#N)[C@@H]4c3ccccc3Cl)oc2c1 38687647 RRCPDRUIBBXSMR-RUZDIDTESA-N 484.939 6.449 50 10 JKGE Cc1c(C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@@H]3c2ccc([N+](=O)[O-])cc2)oc2ccccc12 38688213 BYLTVRWWSMIGSI-HSZRJFAPSA-N 467.437 5.087 50 10 JKGE Cc1c(C(=O)Nc2cc(Cl)cc(Cl)c2)oc2c1/C(=N/NC(=O)c1ccc(Cl)cc1)CCC2 40811630 VOKGMZUIKWYCOI-MTDXEUNCSA-N 490.774 6.271 50 10 JKGE COc1cc(/C=N/NC(=O)COc2ccc(C(C)C)c(C)c2)ccc1OCCc1ccccc1 40911697 ISXLBVXYKSAZBA-RDRPBHBLSA-N 460.574 5.278 50 10 JKGE Cc1ccc(NC(=O)/C(C#N)=C/c2cc(C)n(-c3ccc(N4CCOCC4)cc3)c2C)c(C)c1 59087111 IYCMOXMZPINUHI-JJIBRWJFSA-N 454.574 5.093 50 10 JKGE N#C/C(=C/c1cn(Cc2cccc(Cl)c2)c2ccccc12)C(=O)Nc1ccc(Cl)c(Cl)c1 59117597 ZBKGWFNPQIVRGI-BOPFTXTBSA-N 480.782 7.195 50 10 JKGE Cc1cc(C)c(OCC(=O)N/N=C/c2ccc(-c3ccc(Cl)cc3)o2)c(Br)c1 97136672 CNQHRGAPTKZSJZ-BHGWPJFGSA-N 461.743 5.508 50 10 JKGE COc1cc(N/C=C(/C#N)c2nc(-c3ccc(Cl)c(Cl)c3)cs2)c(C(C)=O)cc1OC 102420330 CHQMKBWTMYLRLJ-UVTDQMKNSA-N 474.369 6.313 50 10 JKGE COc1cc(/C=C(/C#N)c2nnc(-c3ccccc3)n2C)ccc1OC(=O)c1ccccc1Cl 109087939 CPROLIGLMNOYEZ-RGEXLXHISA-N 470.916 5.427 50 10 JKGE COc1cc(Br)c([C@@H](Br)Cc2cccc(Br)c2)cc1OC 109860236 QCIVJVFGWXQPDR-ZDUSSCGKSA-N 479.006 5.908 50 10 JKGE Clc1cc(Br)ccc1[C@@H](Br)Cc1cccc(Br)c1 110303498 KTHWKXNMACWBRF-ZDUSSCGKSA-N 453.399 6.544 50 10 JKGE COc1cc(Cl)ccc1[C@@H](Br)c1cc(Br)c(C)cc1Br 128788792 PFVXSIZKJWQBSJ-OAHLLOKOSA-N 483.425 6.666 50 10 JKGE CCOc1cc(Cl)c([C@@H](Br)c2c(F)cccc2Br)cc1Cl 161226939 VAAZNNRDXSQXFX-OAHLLOKOSA-N 456.964 6.778 50 10 JKGE COc1ccc(COc2c(C)cc(Br)cc2CBr)cc1Br 167016678 DPFYFMMRZJPBIP-UHFFFAOYSA-N 479.006 6.003 50 10 JKGE COc1ccc([C@H](Br)c2cc(Br)sc2Br)cc1C 234992937 DUHASSOJPQWGCP-LBPRGKRZSA-N 455.009 6.074 50 10 JKGE Cc1cccc([C@@H](Br)Cc2cccc(Br)c2)c1I 235927069 GFCLWPNYTWEPHS-AWEZNQCLSA-N 479.981 6.041 50 10 JKGE Fc1ccc([C@@H](Br)Cc2ccc(Cl)c(Cl)c2)c(I)c1 236163910 OAOHQNNQLKUUMF-NSHDSACASA-N 473.938 6.416 50 10 JKGE CC[C@H](Oc1cccc(Br)c1)C(=O)NN=Cc1c2ccccc2cc2ccccc12 254348497 FTDAVKSUAQDTFW-DEOSSOPVSA-N 461.359 6.063 50 10 JKGE CC(=NNC(=O)CSc1nnc(SCc2cccc3ccccc23)s1)c1ccc(O)cc1 254697964 FKBDOUBLLMVAAY-UHFFFAOYSA-N 480.640 5.322 50 10 JKGE CCOc1ccc(C=NNC(=O)CSc2nnc(SCc3cccc4ccccc34)s2)cc1 254823243 AJEHYZXVKPZJPZ-UHFFFAOYSA-N 494.667 5.625 50 10 JKGE CO[C@H](CC(CBr)(CBr)c1cccc(Br)c1)C(C)C 311592645 AAKBVSFQAOJSFA-CQSZACIVSA-N 457.044 5.538 50 10 JKGE Fc1cc([C@H]2CN(Cc3ccccc3)C[C@@H]2CI)ccc1Br 382692910 JKNKASAKWNWVKP-JKSUJKDBSA-N 474.155 5.239 50 10 JKGE CC(C)(C)OC(=O)N1C[C@@H](CBr)[C@H](c2cc(Cl)ccc2Br)C1 382716754 KYGVMEMUPVBNCB-ZWNOBZJWSA-N 453.602 5.448 50 10 JKGE Clc1ccc(C(CBr)(CBr)Cc2ccsc2Br)cc1 388767056 YYIYDDDOVXFFQR-UHFFFAOYSA-N 487.482 6.434 50 10 JKGE Clc1cc(Oc2cccc(Br)c2CBr)c(Cl)cc1Br 394776754 CCDIGJHZOXIFAL-UHFFFAOYSA-N 489.816 7.206 50 10 JKGE CC(C)(C)OC(=O)N1c2ccccc2CC[C@@H]1c1cccc(CO[Si](C)(C)C(C)(C)C)c1 616595552 MFBSMYNGHNKVMC-XMMPIXPASA-N 453.699 7.637 50 10 JKGE Cc1ccc(P(c2ccccc2)c2ccccc2P(C2=C[CH-][CH-]C=C2)c2ccccc2)cc1 642880658 IABLSILKWJCMIO-UHFFFAOYSA-N 460.497 6.048 50 10 JKGE C[C@@H]1CC[C@@](C)([C@H](Br)c2cc(Br)sc2Br)C1(C)C 699124529 YDSPAEMSVXTZMZ-UGQGEIBHSA-N 459.085 7.172 50 10 JKGE COc1cccc([C@@H](Br)c2cc(Br)sc2Br)c1C 701144754 MAPUPRWVNHCLSL-GFCCVEGCSA-N 455.009 6.074 50 10 JKGE Cc1sc(C)c([C@@H](Br)c2cc(Cl)ccc2I)c1C 722486491 JPOMHOATONKZEQ-AWEZNQCLSA-N 455.586 6.416 50 10 JKGE COc1ccc(C(CSc2nc3ccccc3o2)=NNC(=O)c2cccc(Cl)c2)cc1 1083898674 GQBKYYODFAPSSZ-UHFFFAOYSA-N 451.935 5.416 50 10 JKGE CC(C)[C@H]1CC[C@@H](C)C[C@H]1OC(=O)[C@H](C)Oc1cccnc1NC(=O)Oc1ccc([N+](=O)[O-])cc1 1858695113 MFYQUDMGWDVCJX-IMLKGASGSA-N 485.537 5.372 50 10 JKGE CCc1nn(-c2ccc(Cl)c(Cl)c2)c2c1[C@H](c1cccc3ccccc13)C(C#N)=C(N)O2 1865682426 OBKUMYKZZATAPG-JOCHJYFZSA-N 461.352 6.113 50 10 JKGE N#CC1=C(N)Oc2c(c(C(F)(F)F)nn2-c2ccc(Br)cc2)[C@@H]1c1ccccc1Cl 1865685411 IVMXEZYHTWWVRL-OAHLLOKOSA-N 495.686 5.525 50 10 JKGE N#CC1=C(N)Oc2c(c(-c3ccccc3)nn2-c2ccccc2Cl)[C@@H]1c1ccccc1Cl 1865685703 LSSIBTPTJFCRON-OAQYLSRUSA-N 459.336 6.064 50 10 JKGE CCCCOc1ccc([C@H]2C(C#N)=C(N)Oc3c2c(CCC)nn3Cc2ccc(Cl)cc2)cc1 1865692161 JRUTVBOWISOQOT-DEOSSOPVSA-N 477.008 5.934 50 10 JKGE CCCOc1ccccc1[C@@H]1C(C#N)=C(N)Oc2c1c(CCC)nn2Cc1cccc(Cl)c1 1865703180 PFAQWXPRQBXSAO-HSZRJFAPSA-N 462.981 5.544 50 10 JKGE CCOC(=O)c1c(NC(=O)/C(C#N)=C/c2cccc(Br)c2)sc2c1CC[C@H](C)C2 1866131680 IEMFHNGXQHETDU-LERPTODRSA-N 473.392 5.358 50 10 JKGE COc1ccc(/C=C/C(O)=C(\C#N)c2nc(-c3ccc(OC)c(OC)c3)cs2)c(OC)c1 1872745299 GOZAVFATTUEMQK-CRZNAYNCSA-N 450.516 5.351 50 10 JKGE CCOc1cc(/C(O)=C(\C#N)c2nc(-c3ccc(Cl)cc3)cs2)cc(OCC)c1OCC 1872748463 YJSAKPBWXRGYQN-PYCFMQQDSA-N 470.978 6.609 50 10 JKGE CCCOc1ccc(-c2csc(/C(C#N)=C(\O)[C@@H](C(C)C)N3C(=O)c4ccccc4C3=O)n2)cc1 1872749451 RUHZXZRCRQVQPD-KXNAUXDSSA-N 487.581 5.712 50 10 JKGE COc1ccc(-c2csc(/C(C#N)=C(\O)[C@H]3CC(=O)N(c4cc(Cl)ccc4OC)C3)n2)cc1F 1872752396 AGWDIDAUQWPEAX-AAUPIPAWSA-N 499.951 5.466 50 10 JKGE COc1cc(-c2csc(/C(C#N)=C(\O)COc3cc(Cl)ccc3Cl)n2)c(OC)cc1Cl 1872756341 IASOJHIDHJXQFK-LGMDPLHJSA-N 497.787 6.659 50 10 JKGE COc1c(Cl)cc(-c2csc(/C(C#N)=C(\O)C(c3ccccc3)c3ccccc3)n2)cc1Cl 1872756410 ZIHCYTXIIDMNOR-CLCOLTQESA-N 493.415 7.750 50 10 JKGE COc1ccc(Cl)cc1-c1csc(/C(C#N)=C(\O)CCCOc2ccc(Cl)cc2Cl)n1 1872758806 QYEUJSPSZGEGBF-MNDPQUGUSA-N 495.815 7.431 50 10 JKGE COc1ccc(-c2csc(/C(C#N)=C/c3ccc(OCc4ccccc4)cc3)n2)cc1OC 1872781613 MCOLMDDOWFIRGR-HYARGMPZSA-N 454.551 6.470 50 10 JKGE CC(C)(C)OC(=O)NCCCN(Cc1ccccc1)C[C@@](C)(CBr)C(C)(C)C 1893560715 FKIPPVGMSNEJEM-HSZRJFAPSA-N 455.481 5.851 50 10 JKGE FC(F)(F)[C@H](Br)CCc1ccc(I)c(Br)c1 1904325538 AXVDXGFWMDSEJG-SECBINFHSA-N 471.880 5.312 50 10 JKGE CCn1nc(C)c(Br)c1CN(Cc1ccccc1)[C@@H](CBr)C1CC1 1915217206 NEXQQFSEYMIKJI-KRWDZBQOSA-N 455.238 5.150 50 10 JKGE CC(C)[C@@H](CBr)N(Cc1ccccc1)S(=O)(=O)c1cc(Cl)sc1Cl 1915292133 WBMFFYIWXZNZJP-CYBMUJFWSA-N 471.269 5.665 50 10 JKGE CN(C[C@@H](Br)COCc1ccccc1)C(=O)c1cc(C(F)(F)F)ccc1Cl 1916370422 MMEQCYMNYWOZHG-OAHLLOKOSA-N 464.709 5.411 50 10 JKGE Clc1ccc(C[C@@H](Br)c2csc(Br)c2Br)nc1 1918225229 QTBNNQJDIWTYBO-SECBINFHSA-N 460.416 6.000 50 10 JKGE Cc1ccc(F)c([C@@H](Br)c2sc(Br)c(C)c2Br)c1 1922947089 YMSJKZBSSCENGY-LLVKDONJSA-N 457.000 6.513 50 10 JKGE C[C@@H]1CC[C@H]([C@H](Br)c2c(Br)sc(Br)c2Br)C1 1924570726 MHNMXJKLDYVSRC-CHKWXVPMSA-N 495.900 6.908 50 10 JKGE CC[C@H](C)[C@@H](Br)c1c(Br)sc(Br)c1Br 1924575654 DCVWNWIMSSXMDZ-UJURSFKZSA-N 469.862 6.518 50 10 JKGE Fc1ccc(Br)cc1[C@@H](Br)c1c(Cl)sc(Br)c1Cl 1925586192 WKVLHSLVXMBKLY-MRVPVSSYSA-N 497.836 7.203 50 10 JKGE Fc1ccc(Cl)cc1[C@@H](Br)c1c(Cl)sc(Br)c1Cl 1925586803 DCMNMMBPWXTKGJ-MRVPVSSYSA-N 453.385 7.094 50 10 JKGE Fc1cccc(Cl)c1[C@@H](Br)c1c(Cl)sc(Br)c1Cl 1925586861 DOWCIKUJKOJMKB-MRVPVSSYSA-N 453.385 7.094 50 10 JKGE Cc1cc([C@@H](Br)c2c(Cl)sc(Br)c2Cl)c(F)cc1F 1925591157 VEPMGLBGYJKCBA-SECBINFHSA-N 450.957 6.888 50 10 JKGE C[C@@H]1COc2ccc([C@H](Br)c3cc(Br)c(Br)s3)cc21 1925718035 BKUYOLKXLRHAEV-UHLUBPPHSA-N 467.020 6.253 50 10 JKGE CN(CCN(Cc1ccccc1)CC1(CBr)CCCCCC1)Cc1ccccc1 1931962558 TVCQYTKNYOTLAJ-UHFFFAOYSA-N 457.500 6.356 50 10 JKGE Clc1ccc([C@H](Br)c2csc(Br)c2Br)cc1Cl 1945190285 KKXAUMYBQMVPKW-VIFPVBQESA-N 479.846 7.064 50 10 JKGE COCCOCCN(Cc1ccccc1)c1ccc(Br)cc1CBr 1946828469 YXOIRQYAGCIBKP-UHFFFAOYSA-N 457.206 5.014 50 10 JKGE FC1(F)CCOC[C@H]1[C@H](Br)c1cc(Br)c(Br)s1 2001816647 DSOCJIMRLLVGFI-XNCJUZBTSA-N 454.956 5.381 50 10 JKGE Cc1c(Br)sc([C@@H](Br)CC2CC(F)(F)C2)c1Br 2014278038 DXYAIQITKZRGAK-ZETCQYMHSA-N 452.984 6.453 50 10 JKGE CCc1cc(Br)c([C@@H](Br)c2cc(Br)ccc2Cl)s1 2029231887 APFZIXKBCDHYQS-LBPRGKRZSA-N 473.455 6.973 50 10 JKGE Oc1ccc2ccccc2c1C=NCCSSCCN=Cc1c(O)ccc2ccccc12 2040464918 MTAGTEICODASJG-UHFFFAOYSA-N 460.624 6.324 50 10 JKGE N#CC1=C(N)OC2=C(COCC2=Cc2ccccc2C(F)(F)F)[C@@H]1c1ccccc1C(F)(F)F 2040592051 VHXTZPWSCWJXBK-HXUWFJFHSA-N 478.392 5.900 50 10 JKGE CCOC(=O)c1c(C)[nH]c(C)c1C(=O)C(C#N)=Cc1ccc(OC)c(OCc2ccccc2)c1 2042446363 JMTFSSRYFMZEQR-UHFFFAOYSA-N 458.514 5.186 50 10 JKGE Brc1cc([C@H](Br)[C@H]2CCn3nccc3C2)c(Br)s1 2046627549 PDTUJVHJQOFSSV-WRWORJQWSA-N 455.013 5.168 50 10 JKGE Cc1c(Cn2nc(CBr)c(Br)c2C(F)(F)F)cccc1C(F)(F)F 2079231369 YKXJAVMYQCRARO-UHFFFAOYSA-N 480.044 5.935 50 10 JKGE Cc1cc(Br)c([C@@H](Br)C2C[C@H]3CC[C@H](C2)C3)cc1Br 2094112709 ARHCKDMLGCWFDV-MMPTUQATSA-N 451.040 6.782 50 10 JKGE Fc1ccc(Br)c(CC[C@@H](Br)c2ccc(Br)cc2)c1 2113490875 IOKPSMOVABNVAR-CQSZACIVSA-N 450.971 6.420 50 10 JKGE C[C@@H]1OCC[C@H]1CC(CBr)(CBr)c1ccccc1Br 2121127552 ZORQJUPZERFZPB-RYUDHWBXSA-N 455.028 5.292 50 10 JKGE Cc1nn(C)c(Br)c1[C@@H](Br)c1cc(Br)c(Cl)cc1F 2129270612 YXGDKFCUHCJWQQ-NSHDSACASA-N 475.381 5.530 50 10 JKGE Cc1c(Br)ccc([C@@H](Br)[C@]23CO[C@](CF)(C2)C3)c1Br 2138848381 FYXZMPCUOCMMRG-MGPQQGTHSA-N 456.975 5.475 50 10 JKGE Cc1c(Br)ccc([C@@H](Br)C2CC(C(C)(C)C)C2)c1Br 2138870015 FTHKGDRJBRGMNW-NWHVRFAMSA-N 453.056 7.028 50 10 JKGE COc1cccc(C[C@@H](Br)c2ccc(Br)cc2I)c1 2142279657 SQNQRRLPASTIKP-CQSZACIVSA-N 495.980 5.741 50 10 JKGE CC1(C)COc2ccc([C@@H](Br)c3csc(Br)c3Br)cc21 2150341771 KMSXPIIJNSVROI-GFCCVEGCSA-N 481.047 6.427 50 10 JKGE CC(C)(C)OC(=O)N[C@@H]1CCN(CC2(CBr)CCCCCC2)CCC1(F)F 2163059943 XSQVYQJIJFFUNQ-MRXNPFEDSA-N 453.412 5.346 50 10 JKGE FC1(F)CN(Cc2ccccc2)CCCCN(c2ccc(CCl)cc2Br)C1 2164875307 MNAOYSKYZDYOHL-UHFFFAOYSA-N 457.790 5.926 50 10 JKGE FC(F)(F)c1cc(Br)cc([C@H](Cl)c2cc(Br)c(Cl)s2)c1 2172411827 HVCBJZCYSWWZLU-JTQLQIEISA-N 468.947 7.274 50 10 JKGE Clc1nc(Cl)n([C@@H]2CN(Cc3ccccc3)C3(CCCCCC3)C2)c1CBr 2175461668 FIIJHVXZKCXORV-KRWDZBQOSA-N 471.270 6.625 50 10 JKGE F[C@]12CCC[C@]1(CBr)CN(Cc1cc(Br)ccc1Br)C2 2176641956 WRZTUVXBZDCSEF-GJZGRUSLSA-N 470.018 5.301 50 10 JKGE C[C@H](C1CC1)N(Cc1ccccc1)S(=O)(=O)c1c(CBr)sc2ccccc12 2179825010 BUQUTOXQIVVGDV-OAHLLOKOSA-N 464.450 5.786 50 10 JKGE O=S(=O)(c1ccc(CCCBr)cc1)N(CCC(F)(F)F)Cc1ccccc1 2179864263 ZHXZRWKDYOPCBY-UHFFFAOYSA-N 464.347 5.157 50 10 JKGE ClCc1ccc(Br)c(Cl)c1N1CC[C@@H]2OCCN(Cc3ccccc3)[C@@H]2C1 2185516819 SSWAHZIMNXMHBQ-MOPGFXCFSA-N 470.238 5.321 50 10 JKGE BrCc1cc(Br)c(OCC2CC3(C2)CC32CC2)c(Br)c1 2192317792 TWSHDBZLSFDWAO-UHFFFAOYSA-N 465.023 6.066 50 10 JKGE C[C@@H](Cl)c1nc2cc(I)c(F)cc2n1CC1CC(Br)C1 2196940052 IZVVQAGJYNUGHB-AFPNSQJFSA-N 471.539 5.253 50 10 JKGE Cc1cc(Br)c(C)c([C@H](Br)[C@@H]2CC[C@H]3[C@H]2C3(F)F)c1Br 2201080173 WVLULHMJRJHATI-VILIVFPASA-N 472.993 6.556 50 10 JKGE O=[N+]([O-])c1ccc(C[C@H](Cl)c2ccc(Br)cc2I)cc1 2207265583 SUNHVGZFQBTKLC-ZDUSSCGKSA-N 466.500 5.485 50 10 JKGE C[C@@H]1[C@@H](Cl)CCC[C@@H]1c1sc(Br)c(Br)c1Br 2212198106 MJKHPAOWZODWDN-ACZMJKKPSA-N 451.449 6.547 50 10 JKGE Cc1cc(Br)c([C@@H](Br)[C@@H](F)C(F)(F)F)c(C)c1Br 2220143675 FGKQYWRYZGIFKB-NXEZZACHSA-N 456.897 6.165 50 10 JKGE COc1cc(Br)c([C@H](Cl)c2cc(I)sn2)cc1C 2220437643 LGSYMAIGNZZJBL-LBPRGKRZSA-N 458.546 5.155 50 10 JKGE Fc1cc(F)c([C@@H](Br)c2ncsc2Br)c(F)c1Br 2220508881 FDJXTKLMYLJNRF-SSDOTTSWSA-N 465.914 5.570 50 10 JKGE COC1(C[C@H](Br)c2cc(Br)c(Br)cc2F)CCCC1 2225614894 AMJGYWQXDUFSIY-LBPRGKRZSA-N 458.991 6.136 50 10 JKGE Cc1c(Cl)cc([C@@H](Br)c2sc(Br)c(C)c2C)cc1Br 2225839908 BLQPCJHJJJCTRE-GFCCVEGCSA-N 487.482 7.336 50 10 JKGE Cc1sc([C@H](Cl)c2cc(Br)c(Br)cc2F)c(C)c1Br 2226077934 KCNAXVGPPXSYHE-GFCCVEGCSA-N 491.445 7.120 50 10 JKGE Cc1cc(Br)c([C@@H](Br)[C@H]2C[C@H]3CC[C@H]2C3)c(C)c1Br 2227350596 XNLXNAGJEJSBHH-YWDSYVAPSA-N 451.040 6.701 50 10 JKGE Clc1cc(Br)ccc1C[C@@H](Br)c1ccc(Br)cc1Cl 2229154364 WRJKYDYEPMWLEM-GFCCVEGCSA-N 487.844 7.197 50 10 JKGE Clc1cc(Cl)cc(C[C@H](Br)c2c(Br)cccc2Br)c1 2232134420 VKHUREXVYPTAKC-ZDUSSCGKSA-N 487.844 7.197 50 10 JKGE Fc1cc(Br)c(Br)cc1[C@@H](Cl)Cc1c(Cl)cccc1Cl 2233992933 UGJJQHZLAMHZSC-ZDUSSCGKSA-N 461.383 7.180 50 10 JKGE Cc1cccc([C@H](Br)c2c(Br)cc(C)c(Br)c2C)c1Cl 2235604417 NLSDVIGHYDDIAQ-HNNXBMFYSA-N 481.453 7.275 50 10 JKGE Cc1ccc([C@@H](Br)c2c(F)cc(F)c(Br)c2F)cc1Br 2236112090 XZHYSHUWWSCGKT-GFCCVEGCSA-N 472.924 6.422 50 10 JKGE FC(F)(F)Oc1ccc(Cl)cc1[C@@H](Br)c1ccsc1Br 2239619104 VURQRGDUIFOSQB-JTQLQIEISA-N 450.501 6.547 50 10 JKGE Fc1cc([C@H](Cl)c2cc(Cl)c(Br)s2)c(Cl)cc1Br 2255969741 MPEDWPBCSLKCCI-JTQLQIEISA-N 453.385 7.047 50 10 JKGE COc1c([C@@H](Br)c2ccc(Br)o2)cc(Br)c(C)c1C 2269112152 VNHPHOCQPOZRAY-CYBMUJFWSA-N 452.968 5.914 50 10 JKGE C[C@@H](Br)CN(C(=O)c1ccc(Br)cc1Br)C(C)(C)C 2272452750 NQPWGCQCSIIJFF-SECBINFHSA-N 456.016 5.236 50 10 JKGE Fc1cccc(Br)c1COc1ccc(CBr)cc1Br 2273852068 ZNTXGVWSRCBZEO-UHFFFAOYSA-N 452.943 5.825 50 10 JKGE CC(C)(C)OC(=O)NC[C@@H]1CC[S@](=O)(=NCCCCCCCBr)C1(C)C 2277447572 ISGFDTCHZQFBOO-YHAMSUFESA-N 453.487 5.123 50 10 JKGE CSc1ccccc1[C@@H](Br)Cc1cc(Br)cc(Br)c1 2277964503 FSJATXIVZDQQIQ-AWEZNQCLSA-N 465.048 6.612 50 10 JKGE COc1cc(Cl)c(Cl)cc1[C@@H](Br)c1ccc(Cl)cc1Br 2279056913 SYIGCZAFAFGKCT-AWEZNQCLSA-N 459.392 6.902 50 10 JKGE O=[N+]([O-])c1ccccc1C[C@@H](Br)c1c(F)cccc1I 2282774893 MXPXZDXRNLSPDV-SNVBAGLBSA-N 450.045 5.017 50 10 JKGE COc1ccc([C@H](Br)c2cc(F)c(F)c(F)c2)cc1I 2285007037 HNIGQKLTRGNDLU-ZDUSSCGKSA-N 457.027 5.201 50 10 JKGE COC[C@@H]1CC[C@@H]([C@H](Br)c2c(F)cc(Br)c(F)c2Br)C1 2288483625 MQIXQHDCGRUELK-RWYTXXIDSA-N 476.981 5.989 50 10 JKGE Cc1ccc(-c2csc(C(C#N)=CNc3ccc(S(=O)(=O)Nc4cc(C)on4)cc3)n2)c(C)c1 2297482035 UYBASLRNZQQCKP-UHFFFAOYSA-N 491.598 5.501 50 10 JKGE Brc1ccc(OCc2ccccc2)c([C@H](Br)[C@@]23CCC[C@H]2CC3)c1 2299492643 IQSBMGVCDHYTLN-ORYQWCPZSA-N 450.214 7.044 50 10 JKGE C=CCc1cc(C=C(C#N)C(=O)Nc2ccc(C)cc2)cc(OCC)c1OCc1ccccc1Cl 2313568467 SXCYNTUTEJKFJU-UHFFFAOYSA-N 486.999 6.900 50 10 JKGE Cc1ccc(Cl)cc1NC(=O)C(C#N)=Cc1cc(Cl)ccc1OCc1cccc(F)c1 2313724642 PJDGOCIKOGIRAG-UHFFFAOYSA-N 455.316 6.566 50 10 JKGE FC(F)([C@@H](Br)c1cc(Br)ccc1OCc1ccccc1)[C@@H]1CCOC1 2314439836 KLCNFLKQSJPOQU-KDOFPFPSSA-N 476.155 6.136 50 10 JKGE C[C@H](C1CCCCC1)[C@@H](Br)c1ccc(OCc2ccccc2)cc1Br 2314458201 CCXHMUUMLIWDBI-OPAMFIHVSA-N 466.257 7.681 50 10 JKGE N#CC1=C(N)Oc2cc(OC(=O)C=Cc3ccc(Cl)cc3)ccc2[C@H]1c1ccccc1Cl 2314634124 OIJRNOJMWKWQJU-XMMPIXPASA-N 463.320 5.830 50 10 JKGE Cc1c(F)ccc([C@H](Br)c2cc(Br)sc2Br)c1Cl 2316602346 FTQRRCIXYSZPDU-JTQLQIEISA-N 477.418 6.858 50 10 JKGE COc1ccc(C=C(C(=O)NNC(=O)c2ccc(-c3ccc(F)cc3)nc2C)c2ccccc2)cc1 2321160634 TWDHYIANFKODMI-UHFFFAOYSA-N 481.527 5.207 50 10 JKGE CC(C)(C)CC(C)(C)NC=C(C#N)C(=O)N1CCN(C(c2ccccc2)c2ccccc2)CC1 2324605980 FPYRCJJWZDHSBI-UHFFFAOYSA-N 458.650 5.132 50 10 JKGE CCOC(=O)c1c(-c2ccc3c(c2)CCCC3)csc1NC(=O)C(C#N)=Cc1ccc(OC)cc1 2329622331 OSIYOSXXAXWQQQ-UHFFFAOYSA-N 486.593 6.025 50 10 JKGE CCOc1cc(C(O)=C(C#N)c2nc(-c3ccc([N+](=O)[O-])cc3)cs2)cc(OCC)c1OCC 2331279646 ZSDOTWCKYNWPRI-UHFFFAOYSA-N 481.530 5.864 50 10 JKGE CC(C)(C)c1ccc(-c2csc(C(C#N)=C(O)C(c3ccccc3)c3ccccc3)n2)cc1 2331331558 OABTXZRUYUEDLE-UHFFFAOYSA-N 450.607 7.732 50 10 JKGE CCCCCCCOc1ccc(-c2csc(C(C#N)=C(O)Cc3ccc(OC)cc3)n2)cc1 2331344916 YPGANVSZXLQDCR-UHFFFAOYSA-N 462.615 7.203 50 10 JKGE CCOc1ccc(CCC(O)=C(C#N)c2nc(-c3cc(C(C)C)c(OC)cc3C)cs2)cc1OC 2331358538 JUTNMBVEYJIZBA-UHFFFAOYSA-N 492.641 7.083 50 10 JKGE Cc1ccc(C(C)(C)C)cc1-c1csc(C(C#N)=C(O)CCN2C(=O)c3ccccc3C2=O)n1 2331396431 XQBOFGIMWNVGBF-UHFFFAOYSA-N 471.582 5.895 50 10 JKGE Cc1cccc(C)c1OCCCC(O)=C(C#N)c1nc(-c2cc(Cl)ccc2Cl)cs1 2331404588 SOQTUKUHINBFIL-UHFFFAOYSA-N 459.398 7.386 50 10 JKGE COc1cc(C=C(C#N)c2nc(-c3ccc(F)cc3F)cs2)cc(Br)c1OC(C)C 2331436149 LUKFTFWFRMIIAJ-UHFFFAOYSA-N 491.357 6.711 50 10 JKGE CCCOc1c(Br)cc(C=C(C#N)c2nc(-c3c(C)cc(C)cc3C)cs2)cc1OC 2331477261 BWHZHGSZOMCXQE-UHFFFAOYSA-N 497.458 7.359 50 10 JKGE CCCOc1ccc(C=C(C#N)c2nc(-c3ccc(OC)c(OC)c3OC)cs2)cc1OCC 2331491654 ZWMFRVQTLWXOLH-UHFFFAOYSA-N 480.586 6.088 50 10 JKGE Clc1ccc(C[C@@H](Cl)c2cc(Br)ccc2OCc2ccccc2)cc1Cl 2336083444 KFXNFIOYQIEHGZ-LJQANCHMSA-N 470.621 7.858 50 10 JKGE C[C@@H](C[C@H](Br)c1c(Cl)cc(Br)c(F)c1Br)C(F)(F)F 2337105260 WBAAACSBOPNRAY-WHFBIAKZSA-N 491.342 7.029 50 10 JKGE Fc1c(Br)cc(Cl)cc1C[C@@H](Br)c1ccc(Br)cc1 2337143796 BHKBYWVJGIZUTO-GFCCVEGCSA-N 471.389 6.683 50 10 JKGE CCCc1sc(Br)cc1[C@H](Br)c1ccc(C)cc1Br 2338020569 LCONGECZPPQHDD-OAHLLOKOSA-N 467.064 7.018 50 10 JKGE COC1(C(F)F)CC([C@@H](Br)c2ccc(OCc3ccccc3)cc2Br)C1 2343016692 DDUDXRJCHNDZOV-RPLTXICNSA-N 490.182 6.524 50 10 JKGE Fc1ccc([C@H](CCl)Cc2ccc(I)c(Br)c2)cc1 2349841634 JWZPNDZQHCTIHF-LBPRGKRZSA-N 453.520 5.758 50 10 JKGE CCc1cc(Br)c(OC)c([C@@H](Br)c2cc(Br)sn2)c1 2353030926 YPIKSZAHDWJRRA-GFCCVEGCSA-N 470.024 5.723 50 10 JKGE Cc1c(Br)sc([C@@H](Br)[C@H]2C[C@@H]3CCCCCC[C@@H]32)c1Br 2354883349 SVFLUXJLGWLYKJ-MNXVOIDGSA-N 485.123 7.624 50 10 JKGE Cc1cccc([C@H](Cl)c2c(F)cc(Cl)c(Br)c2Cl)c1Br 2360495778 XKWCYRVEADNRLB-ZDUSSCGKSA-N 461.383 7.294 50 10 JKGE Fc1cc([C@H](Cl)c2cc(Br)ccc2OCc2ccccc2)c(F)c(F)c1F 2361194094 FRFKINUOUBZNFE-QGZVFWFLSA-N 459.664 6.913 50 10 JKGE C[C@H](Br)CN(Cc1ccccc1)Cc1cc(C(F)(F)F)ccc1C(F)(F)F 2362128125 VIMWJJAMWHHGDU-ZDUSSCGKSA-N 454.252 6.510 50 10 JKGE CCCC(CBr)(CCC)COCc1cc(Br)cc(Br)c1 2362234991 GDOVNPYCQYOOKJ-UHFFFAOYSA-N 471.071 6.710 50 10 JKGE CC(C)[C@@H]1CCC[C@@H]1[C@H](Br)c1c(Cl)cc(Br)c(F)c1Br 2362239739 MRIOZROWXWJADN-RVBZMBCESA-N 491.464 7.512 50 10 JKGE COc1cc(OCc2ccc(Cl)c(I)c2)ccc1CBr 2362436136 NIMGMLLDMGCSJZ-UHFFFAOYSA-N 467.528 5.427 50 10 JKGE Cc1cc(Br)c([C@H](Cl)c2ccc(Cl)c(Cl)c2C)cc1Br 2364437206 JZAGXPOLLUNCOH-OAHLLOKOSA-N 457.420 7.463 50 10 JKGE Cc1cccc([C@H](Br)c2c(C)cc(Br)c(F)c2Br)c1C 2365179550 OZVBNAPKAXOXNS-AWEZNQCLSA-N 464.998 6.760 50 10 JKGE O=C(N[C@@H](CBr)C1CCCCC1)c1ccc(Cl)cc1I 2365588152 GAYKHGRWIGHJTQ-AWEZNQCLSA-N 470.576 5.018 50 10 JKGE CC(C)C[C@H](CBr)CN1CC[C@@H](C(F)(F)F)[C@@H](CNC(=O)OC(C)(C)C)C1 2382183694 BPSMEKWFLSITBZ-OWCLPIDISA-N 459.391 5.069 50 10 JKGE COc1cccc(N/C(SCc2ccc(C)cc2C)=C(/C#N)C(=O)NCc2ccccc2)c1 3052522 NCBLJYIBNYUAQR-IMVLJIQESA-N 457.599 5.709 50 10 JKGE CCCCc1ccc(N2CSC3=C(C#N)[C@@H](c4cc(OC)c(OC)cc4OC)CC(=O)N3C2)cc1 9693605 XOSPNDDFTWFTKV-HXUWFJFHSA-N 493.629 5.274 50 10 JKGE CCCCCCOc1ccc(C(=O)NNC(=O)[C@@H](CC)Oc2ccc(-c3ccccc3)cc2)cc1 14768938 NVVOXNNYHVDTIU-HHHXNRCGSA-N 474.601 5.931 50 10 JKGE COc1cc(/C=C(/C#N)c2ccccc2F)ccc1OC(=O)[C@H](C)Oc1ccc(Cl)cc1Cl 31901777 VWEXJVCWKJYUCQ-ZCQLHAAUSA-N 486.326 6.578 50 10 JKGE N#C/C(=C\c1cn(-c2ccccc2)nc1-c1cccc2ccccc12)c1nc(O)c2cc(Cl)ccc2n1 35519275 TYHKWGBWCKHWHT-HMMYKYKNSA-N 499.961 7.059 50 10 JKGE CC(C)c1ccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4ccc([N+](=O)[O-])cc4)ccc32)cc1 38649457 TYOCNJOMHHVROK-XMMPIXPASA-N 455.470 5.156 50 10 JKGE CC(C)(C)c1ccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4ccc(Cl)cc4Cl)ccc32)cc1 38649739 WXMZQLLLUOBNKG-XMMPIXPASA-N 493.390 6.728 50 10 JKGE COc1ccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)[C@@H](C)Oc4ccc(C(C)C)cc4)ccc32)cc1 38650402 NDMWHQKZVPVVIC-CLYVBNDRSA-N 484.552 5.410 50 10 JKGE N#CC1=C(N)Oc2cc(OC(=O)c3ccc(Br)cc3)ccc2[C@H]1c1cccc(Cl)c1 38651135 BYXRMOINYMDDLM-OAQYLSRUSA-N 481.733 5.540 50 10 JKGE CCCCCOc1ccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4ccc(C)cc4)ccc32)cc1 38685268 XXLPFFFBERFUGR-MHZLTWQESA-N 468.553 6.001 50 10 JKGE Cc1c(C(=O)Nc2cccc(Cl)c2)oc2c1/C(=N/NC(=O)c1ccc3ccccc3n1)CCC2 40825884 OXJQEWGFBXBDQX-TWKHWXDSSA-N 472.932 5.512 50 10 JKGE CCOc1cc(/C=C(\C#N)C(=O)Nc2c(C)cccc2C)ccc1OCc1c(Cl)cccc1Cl 59201362 KSRGRVLKXLAIFX-DEDYPNTBSA-N 495.406 7.134 50 10 JKGE Cc1ccc(-c2ccccc2)n1-c1ccc(C(=O)N/N=C/c2ccccc2Br)cc1 59304918 FVHSHDZRIAXMSZ-WPWMEQJKSA-N 458.359 5.979 50 10 JKGE COc1cccc(/C(CSc2nc3ccccc3s2)=N\NC(=O)c2ccccc2Cl)c1 59460721 YUFZUZTWFHTKJD-QOMWVZHYSA-N 468.003 5.885 50 10 JKGE Cc1cc(/C=N/NC(=O)c2cc3cc(Br)ccc3o2)c(C)n1-c1ccc2ccccc2c1 59680033 GJNPKDCLOAIFQY-RWPZCVJISA-N 486.369 6.520 50 10 JKGE CCCC[C@H](CC)CN(C(=O)CCl)[C@H](C(=O)NC1CCCCC1)c1ccc(Cl)cc1 97914297 YZBAHIQECUWVMB-MBSDFSHPSA-N 455.470 6.114 50 10 JKGE CCOc1ccc(N2C(=O)[C@H](Cc3ccccc3)S/C2=C(/C#N)C(=O)N[C@H](C)c2ccccc2)cc1 101243796 QLESHEFLPOKSLV-ZFKOOEFLSA-N 497.620 5.389 50 10 JKGE C=CCOc1ccc(-c2nn(-c3ccccc3)cc2/C=C(/C#N)C(=O)NCc2ccccc2)cc1 102859171 QOSZVTTXGHNBQW-MOHJPFBDSA-N 460.537 5.327 50 10 JKGE Cl[C@H](c1ccc(I)cc1)c1cc2c(cc1Br)OCCCO2 109821370 WZECLWBIYHODNE-MRXNPFEDSA-N 479.539 5.543 50 10 JKGE FC(F)(F)c1ccc(C[C@@H](Br)c2cc(Br)sc2Br)cc1 109870116 DGDSROPPKZQPJC-SNVBAGLBSA-N 492.980 6.971 50 10 JKGE Fc1ccc(Br)cc1C[C@H](CBr)c1ccccc1Br 118665161 MAXYBNFHCFGKEO-LLVKDONJSA-N 450.971 6.072 50 10 JKGE CC1=C(C#N)C(=O)N(C)C(=O)/C1=C\c1cn(-c2ccccc2)nc1-c1ccc(OCCC(C)C)c(C)c1 214204965 PZPDBJAPVKECAN-XYGWBWBKSA-N 494.595 5.495 50 10 JKGE Clc1cc([C@@H](Br)c2cccc3ccccc23)ccc1I 232344238 IASRYDBVFZCKKG-QGZVFWFLSA-N 457.536 6.582 50 10 JKGE Fc1ccc([C@@H](Cl)c2ccc(I)c(Cl)c2)cc1Br 232344539 WMCFVOMIQYBBCA-CYBMUJFWSA-N 459.911 6.174 50 10 JKGE Fc1cccc(Cl)c1C[C@@H](Br)c1cc(Br)cc(Br)c1 236142240 XTJZYNDRUWLXQN-GFCCVEGCSA-N 471.389 6.683 50 10 JKGE CCN(CC)c1ccc(C=NNC(=O)c2cc(-c3ccc(C(C)C)cc3)nc3ccccc23)cc1 252629642 UKSCKKPLLYWRFL-UHFFFAOYSA-N 464.613 6.635 50 10 JKGE O=C(N/N=C/c1ccccc1OCc1cccc(Br)c1)C12CC3CC(CC(C3)C1)C2 253577889 XPZGROZVDLIQKW-JFLMPSFJSA-N 467.407 5.695 50 10 JKGE Br[C@H]1CC2[C@@H]3C[C@@H](Br)[C@H](Br)C[C@@H]2C3C[C@H]1Br 309551727 LSPRBBUUWUVAOF-WWGNLVSJSA-N 479.876 5.106 50 10 JKGE COc1ccc([C@H](Br)c2sccc2I)c(OC)c1Cl 311445597 QSRHEANEUYHHQQ-JTQLQIEISA-N 473.557 5.508 50 10 JKGE Clc1ccc(Br)c(C[C@H](CBr)c2cccc(Br)c2)c1 311739902 SKSYZHNPBKTROH-GFCCVEGCSA-N 467.426 6.586 50 10 JKGE Cc1cc(C)c([C@H](Cl)c2ccc(I)c(Cl)c2)c(C)c1Br 312389733 KUCFKGVGQSUHAP-MRXNPFEDSA-N 484.002 6.961 50 10 JKGE C[C@H](Cl)c1nc2ccncc2n1-c1ccc(Br)c(I)c1 383379118 MEKYANMMICSFDG-QMMMGPOBSA-N 462.516 5.087 50 10 JKGE ClC[C@@H](Cc1ccc(Br)cc1)Cc1cc(Cl)ccc1I 405542423 SZFJRJRGGXDTFP-LBPRGKRZSA-N 484.002 6.347 50 10 JKGE COc1ccc(Br)cc1[C@H](Br)Cc1ccc(Br)cc1F 692792250 GYAGDWXRCJERDJ-CYBMUJFWSA-N 466.970 6.038 50 10 JKGE C[C@@H](CBr)[C@H]1CCCCN1Cc1cc(Cl)ccc1I 696740287 VQLGNRXXUSVZNQ-XHDPSFHLSA-N 456.593 5.330 50 10 JKGE Cc1cc2c(cc1F)nc(CCl)n2CC1(N(Cc2ccccc2)Cc2ccccc2)COC1 705782625 IHSUNYRWCFMSNK-UHFFFAOYSA-N 463.984 5.694 50 10 JKGE BrCC(CBr)(C[C@H]1CCCS1)c1ccccc1Br 715881503 DHKAWQCKAHRBLZ-LLVKDONJSA-N 457.069 5.762 50 10 JKGE C[C@H]1Cc2cc(Br)cc([C@H](Br)c3ccccc3Br)c2O1 720055491 XOIDWJRRILICGR-BJOHPYRUSA-N 460.991 6.019 50 10 JKGE CC1(C)CN(Cc2ccccc2)C[C@H]1n1c(CCl)nc2cc(I)c(F)cc21 720702981 MTHNEZDYXUNOMW-LJQANCHMSA-N 497.783 5.602 50 10 JKGE Cc1ccc(COc2ccc(Cl)cc2C=NNC(=O)c2ccccc2Br)cc1 1084047237 NMSKXLGBMLAZJT-UHFFFAOYSA-N 457.755 5.754 50 10 JKGE COc1ccc(CSCC(=O)NN=C(C)c2cccc(NC(=O)c3cccc(Cl)c3)c2)cc1 1084285239 MKIWESGEDFLKNS-UHFFFAOYSA-N 482.005 5.375 50 10 JKGE C=CCc1cc(/C=C(\C#N)C(=O)Nc2ccc(C)cc2)cc(OC)c1OCc1ccc2c(c1)OCO2 1084527230 XAPBLQMNGOHYJP-YDZHTSKRSA-N 482.536 5.586 50 10 JKGE COc1ccc2ccccc2c1[C@H]1C(C#N)=C(N)Oc2c1c(C(F)(F)F)nn2Cc1cccc(F)c1 1865688029 GWJIJYNVIYNHKR-OAQYLSRUSA-N 494.448 5.469 50 10 JKGE CCCCOc1ccc([C@@H]2C(C#N)=C(N)Oc3c2c(-c2ccccc2)nn3Cc2ccccc2)cc1 1865690468 RYVMWHPOBFGZEH-AREMUKBSSA-N 476.580 5.995 50 10 JKGE CCCc1nn(CCC)c2c1[C@@H](c1ccc(OCc3ccc(C)cc3)c(OC)c1)C(C#N)=C(N)O2 1865695517 PETKRVYLNCZABQ-VWLOTQADSA-N 472.589 5.360 50 10 JKGE CCc1nn(Cc2c(F)cccc2Cl)c2c1[C@@H](c1ccccc1OC(C)C)C(C#N)=C(N)O2 1865705415 VFJYTGVQWUWSTL-QFIPXVFZSA-N 466.944 5.292 50 10 JKGE COc1ccc(-n2nc(C(F)(F)F)c3c2OC(N)=C(C#N)[C@H]3c2ccc(C(F)(F)F)cc2)cc1 1865710751 HEYFYQFPYMBZIB-MRXNPFEDSA-N 480.368 5.137 50 10 JKGE N#CC1=C(N)Oc2c(c(-c3ccccc3)nn2-c2cccc(Cl)c2)[C@H]1c1ccc(O)c([N+](=O)[O-])c1 1865714984 SFRMZLZLXJZPKJ-NRFANRHFSA-N 485.887 5.025 50 10 JKGE N#CC1=C(N)Oc2c(c(-c3ccccc3)nn2Cc2cccc(Cl)c2)[C@H]1c1ccc(O)c([N+](=O)[O-])c1 1865715141 XATUIKNREDFKRZ-QFIPXVFZSA-N 499.914 5.084 50 10 JKGE COc1ccc(/C=C(\C(=O)NNC(=O)c2ccc(-c3ccccc3OC)nc2C)c2ccccc2)cc1 1865760047 DMIXEWQNTKLSNM-XHPQRKPJSA-N 493.563 5.076 50 10 JKGE CCC[C@@H](NC(=O)[C@H](c1ccc(Cl)cc1)C1CCCC1)C(=O)Nc1ccc(SC#N)cc1 1867004427 DZBQBIFSDLWOHN-PKTZIBPZSA-N 470.038 6.111 50 10 JKGE CC[C@H](NC(=O)[C@@H](CC(C)C)c1cccc(Br)c1)C(=O)Nc1ccc(SC#N)cc1 1867213515 QQSKUARDLKBNEV-SFTDATJTSA-N 488.451 5.685 50 10 JKGE COc1ccc(-c2csc(/C(C#N)=C(\O)CNC(=O)c3ccc(Cl)cc3Cl)n2)c(OC)c1 1872755289 HCRWCTLURKWEOR-MNDPQUGUSA-N 490.368 5.357 50 10 JKGE COc1ccc(-c2csc(/C(C#N)=C/c3ccc(OC(=O)c4ccccc4)c(OC)c3)n2)cc1OC 1872781755 OTXUOTPVRUUKFA-FYJGNVAPSA-N 498.560 6.119 50 10 JKGE CCOc1ccc(-c2csc(/C(C#N)=C/c3cc(Br)c(O)c(OCC)c3)n2)cc1 1872790030 GAJSOIDGQUXAOA-CXUHLZMHSA-N 471.376 6.140 50 10 JKGE COc1cc(/C=C(\C#N)c2nc(-c3cccs3)cs2)ccc1OCc1c(Cl)cccc1Cl 1872791707 PIBHRWLOQSOPSQ-MHWRWJLKSA-N 499.444 7.830 50 10 JKGE CCOc1cc(/C=C(\C#N)c2nc(-c3c(C)cc(C)cc3C)cs2)ccc1OCc1ccccc1 1872794359 XCMBNDFBVHTQMT-MFKUBSTISA-N 480.633 7.777 50 10 JKGE C[C@H](CBr)N(Cc1ccccc1)Cc1ccc(I)c(Cl)c1 1907288020 WBMQNFQVNVMJFV-CYBMUJFWSA-N 478.599 5.730 50 10 JKGE CC[C@H](Br)CN(Cc1ccccc1)c1ncc(Br)cc1C(F)(F)F 1915080622 CJVIDNQWVMRQTL-ZDUSSCGKSA-N 466.139 6.043 50 10 JKGE CC(C)[C@H](CBr)N(Cc1ccccc1)Cc1ccc(I)cc1 1915274764 UMBGOXRKYHBAKS-IBGZPJMESA-N 472.208 5.713 50 10 JKGE Cc1c(Br)sc([C@@H](Br)[C@H](CC(C)C)C(C)C)c1Br 1922929003 FBWLOUYQIQRXAY-PWSUYJOCSA-N 461.101 7.336 50 10 JKGE FC1(F)CC12CC([C@@H](Br)c1cc(Br)sc1Br)C2 1948681808 WTDUTILSTZHIGC-FDRLMODASA-N 450.968 6.145 50 10 JKGE O=C(c1ncc(Br)cc1Cl)N(Cc1ccccc1)[C@@H](CBr)C1CC1 2007993405 YJCXQVWHLDKWML-INIZCTEOSA-N 472.608 5.313 50 10 JKGE Clc1c(Br)sc(Br)c1[C@H](Br)[C@H]1[C@H]2C[C@@H]3[C@H]1[C@@H]3C2 2016566509 RCRKZVNJFWGRKM-XYDSDRPRSA-N 461.444 6.265 50 10 JKGE CCN(C[C@@](C)(CI)OC1CC2(CCCC2)C1)C(=O)OC(C)(C)C 2017964926 DNVFZXGQLBAAJN-GOSISDBHSA-N 451.389 5.177 50 10 JKGE BrCc1cc(Br)c(OC[C@H]2C[C@@H](Br)C2)c(Br)c1 2020238999 JBNCJZGTJPOCQC-DTORHVGOSA-N 491.843 5.659 50 10 JKGE COc1cc(C)c(Br)cc1[C@H](Br)c1sncc1Br 2028524307 KJMPJNBGNNRCFD-NSHDSACASA-N 455.997 5.469 50 10 JKGE CC1(C)[C@H]2CC[C@@H](C2)[C@H]1[C@@H](Br)c1cc(Br)c(Br)s1 2029601156 SSWTYSZAVFEBNO-OSTYVCCYSA-N 457.069 6.781 50 10 JKGE C[C@]1([C@H](Cl)c2c(Br)sc(Br)c2Br)C[C@H]1C(F)(F)F 2039188670 UAJMQVJBUMGHBT-FROZIPMSSA-N 491.392 6.904 50 10 JKGE C[C@H](Br)CN(Cc1ccccc1)C(=O)c1cc(Br)cc(C(F)(F)F)c1 2052305543 WZVZDVOTRKUEGZ-LBPRGKRZSA-N 479.134 5.894 50 10 JKGE COc1cc(Br)c(C)cc1[C@H](Cl)c1cc(I)sn1 2056493709 MFGCQJNLXULDDH-LBPRGKRZSA-N 458.546 5.155 50 10 JKGE Fc1cc(F)c([C@@H](Br)c2cc(Br)c(Br)s2)cc1Cl 2058878490 GEIJXVDIGQFIDW-SNVBAGLBSA-N 481.381 6.689 50 10 JKGE COc1cc([C@@H](Br)c2sc(Br)cc2C)ccc1Br 2072063558 RMLONVYRXMQKMW-GFCCVEGCSA-N 455.009 6.074 50 10 JKGE CCC[C@@H]1CC[C@@H](Br)[C@H](Cc2c(Br)cccc2Br)C1 2094093055 MHUBOAHAAGNRIO-MBNYWOFBSA-N 453.056 6.734 50 10 JKGE BrC[C@H](NCc1c(Br)cccc1Br)C1CCCCC1 2094102669 RTMMHIGUGQIILJ-HNNXBMFYSA-N 454.044 5.645 50 10 JKGE Brc1cccc(Br)c1CN1[C@H]2CCC[C@H](Br)[C@H]1CC2 2097810551 CHJZNLVCYGSVQB-NZVBXONLSA-N 452.028 5.492 50 10 JKGE Cn1nc([C@H](Cl)c2cc(Cl)c(Br)cc2F)c(Br)c1Cl 2110729364 YYFJKBKEKQWFGW-SECBINFHSA-N 451.348 5.719 50 10 JKGE CN(C[C@@H]1CCCN(Cc2ccccc2)C1)c1cc(Br)cc(F)c1CBr 2114268169 UJMLIDDLIVSXKC-KRWDZBQOSA-N 484.251 5.832 50 10 JKGE Cc1c(Br)ccc([C@H](Br)[C@@H]2CC[C@H]3[C@@H]2C3(F)F)c1Br 2138869619 BMAWVRWMJQWGQR-DKRZYWPISA-N 458.966 6.247 50 10 JKGE Brc1cc(CNC2CC2)cc(Br)c1OC[C@H]1C[C@H](Br)C1 2196904656 CVGSADJOWTZTGE-XYPYZODXSA-N 468.027 5.016 50 10 JKGE Cc1cc(Br)c(C)c([C@@H](Br)[C@@H]2C[C@H](C)O[C@H](C)C2)c1Br 2201066369 ZRRSLLZHBHJQJH-WFLGSWMJSA-N 469.055 6.468 50 10 JKGE FC(F)(F)C1([C@@H](Br)c2ccc(Br)cc2Br)CCCCC1 2203686120 SKQVCAGLWITFNR-LBPRGKRZSA-N 478.972 7.160 50 10 JKGE O=C(c1cc(Br)sc1Br)N1CC[C@@H]2CC[C@@H](Br)C[C@@H]2C1 2204092065 BVNKUPSQYKNTFJ-IVZWLZJFSA-N 486.067 5.299 50 10 JKGE Cc1cc(Br)c([C@@H](Br)c2cc(Br)cs2)c(C)c1Cl 2217619143 VWNHVIARDMVTSF-LBPRGKRZSA-N 473.455 7.028 50 10 JKGE CCOCc1cc(Br)c([C@H](Br)c2ccsc2Br)s1 2217988255 QOBCHTDNMBYSDM-SNVBAGLBSA-N 475.065 6.355 50 10 JKGE Fc1cc(Br)c(Br)cc1[C@H](Br)CCOCC(F)F 2218596299 DQKNCFZXJOOXCB-SSDOTTSWSA-N 454.906 5.459 50 10 JKGE Cc1cc([C@@H](Br)Cc2ccc(Br)cc2Cl)sc1Br 2221700415 RYESKGPDYYCEQF-JTQLQIEISA-N 473.455 6.914 50 10 JKGE Cc1cc(Cl)c([C@H](Br)c2ccc(C)c(I)c2)cc1Cl 2224626642 KBKGKAZRUJQXTB-OAHLLOKOSA-N 469.975 6.699 50 10 JKGE Fc1ccc([C@H](Cl)c2cc(Br)c(Br)cc2F)c(Br)c1 2225633431 JUTAJJZOSVLGGV-ZDUSSCGKSA-N 475.352 6.581 50 10 JKGE C[C@@H]1[C@H](n2c(CCl)nc3cc(Br)c(Br)cc32)CCN1Cc1ccccc1 2225702042 NUQATRJZVFYGDR-FZKQIMNGSA-N 497.662 6.136 50 10 JKGE Cc1sc([C@H](Cl)c2ccc(Br)c(C)c2Br)c(C)c1Br 2226078669 SGDQSUGZZQWNRW-CYBMUJFWSA-N 487.482 7.289 50 10 JKGE Cn1nc(Br)c([C@@H](Br)c2cc(Cl)c(Cl)c(Cl)c2Cl)n1 2226987072 NYZDMASTEFVFTD-YFKPBYRVSA-N 468.791 5.676 50 10 JKGE FC(F)(F)CC1([C@@H](Br)c2c(Br)cc(Cl)c(Cl)c2Cl)CC1 2232512377 NSWYGXNFLAQBRM-JTQLQIEISA-N 475.357 7.578 50 10 JKGE CCn1cc([C@H](Br)c2cc(C)c(OC)cc2Br)nc1Br 2236020936 PQHUFKGZELXYCN-CYBMUJFWSA-N 466.999 5.229 50 10 JKGE O=C(c1scc(Br)c1Br)N1C[C@@H]2CCCC[C@@]2(CBr)C1 2238793551 FFJLFUCLCFAAFO-LKFCYVNXSA-N 486.067 5.300 50 10 JKGE CC1(C)C[C@H](C[C@@H](Br)c2c(F)cc(Br)c(F)c2Br)CO1 2288358953 ZPDBUMWWNOPFBT-JGVFFNPUSA-N 476.981 6.131 50 10 JKGE CCOc1cc(C=C(C#N)C(=O)NCc2ccccc2)ccc1OCc1ccc2ccccc2c1 2294193474 SNSLXNSJKOTWSJ-UHFFFAOYSA-N 462.549 6.041 50 10 JKGE FC1(F)[C@@H]2CC[C@H]([C@H](Br)Cc3cc(Br)cc(Br)c3)C[C@H]21 2295343208 SPDALLVMNQZGQZ-KQURDKLPSA-N 472.993 6.199 50 10 JKGE COc1ccc(-c2csc(C(C#N)=CNc3ccc(Cl)c(C(F)(F)F)c3)n2)cc1OC 2296800523 CIPUEYGQUPIRCJ-UHFFFAOYSA-N 465.884 6.476 50 10 JKGE CCc1cccc(CC)c1NC(=O)C(C#N)=Cc1c(C)nn(-c2ccccc2)c1N1CCCC1 2297388060 DLVOHZLZXUIOBT-UHFFFAOYSA-N 453.590 5.451 50 10 JKGE N#CC1=C(N)OC2=C(CN(Cc3ccccc3)CC2=Cc2cccc(F)c2)[C@@H]1c1cccc(F)c1 2297455247 XGLGJCHXVFCTJP-HHHXNRCGSA-N 467.519 5.626 50 10 JKGE COCCCNC(=O)C(C#N)=C(Nc1ccc(F)cc1)SCc1c(C)c(C)c(C)c(C)c1C 2297563724 WRLVUVUPDBVWBF-UHFFFAOYSA-N 469.626 5.601 50 10 JKGE Brc1ccc(OCc2ccccc2)c([C@H](Br)[C@@H]2CC23CCCC3)c1 2299503250 DGHKLAPHFLZYQB-ICSRJNTNSA-N 450.214 7.044 50 10 JKGE COc1cc(C=C(C#N)C(=O)Nc2ccc(Cl)cc2Cl)ccc1OCc1cccc(C(=O)O)c1 2313564933 GVYCCABNJRAEBC-UHFFFAOYSA-N 497.334 5.825 50 10 JKGE Cc1cccc(NC(=O)C(C#N)=Cc2cc(Cl)ccc2OCc2ccc(Br)cc2)c1C 2313667316 KOXWILPORHDOFI-UHFFFAOYSA-N 495.804 6.844 50 10 JKGE N#CC(=Cc1ccc(-c2cccc(C(F)(F)F)c2)o1)C(=O)Nc1ccc(OC(F)(F)F)cc1 2314572178 VJFNFTXZOOZKOV-UHFFFAOYSA-N 466.337 6.410 50 10 JKGE CCOc1ccc(N2C(=O)[C@H](Cc3ccccc3C)SC2=C(C#N)C(=O)Nc2cccc(C)c2)cc1 2314592066 LDJGULRANDGVRN-SANMLTNESA-N 497.620 5.767 50 10 JKGE C=CCNC(=O)C(C#N)=C1S[C@@H](Cc2ccccc2Cl)C(=O)N1c1ccc(C(C)C)cc1 2314594151 ZTMWXHQUYZJNAB-QFIPXVFZSA-N 466.006 5.192 50 10 JKGE N#CC(=Cc1ccc(OC(=O)C=Cc2ccc(Cl)c(Cl)c2)cc1)C(=O)NCc1ccco1 2314754700 YUGBATNUWAPQEN-UHFFFAOYSA-N 467.308 5.429 50 10 JKGE COCc1ccc([C@@H](Cl)c2cc(Br)ccc2I)s1 2315094778 GWGXBZXYVXHVFH-ZDUSSCGKSA-N 457.558 5.590 50 10 JKGE CC[C@@]12CC[C@@]([C@H](Br)c3sc(Cl)cc3I)(CO1)C2 2316771906 OVYSYXCVWNTDPI-AGIUHOORSA-N 461.590 5.791 50 10 JKGE Brc1ccc(OCc2ccccc2)c([C@H](Br)C[C@@H]2CC[C@H]2C2CC2)c1 2319482684 JGPLOAIJFHPEMO-HFSMHLIXSA-N 464.241 7.290 50 10 JKGE COc1ccc(C=CC(=O)Oc2ccc(C=C(C#N)c3ccccc3OC)cc2OC)cc1OC 2320506158 CTSHVSRCMNVIDG-UHFFFAOYSA-N 471.509 5.404 50 10 JKGE CC(C)(C)OC(=O)NCCCCCC(=O)NN=Cc1cccc(OCc2cccc(Cl)c2)c1 2328799964 JVHYNCPZLFRSNQ-UHFFFAOYSA-N 474.001 5.454 50 10 JKGE CCc1ccc(C(C)=CC(=O)N[C@H](Cc2ccc(F)cc2)C(=O)Nc2ccc(SC#N)cc2)cc1 2329500220 NFKBIEIQEYTFGQ-AREMUKBSSA-N 487.600 5.731 50 10 JKGE N#CC(=C(O)C(c1ccccc1)c1ccccc1)c1nc(-c2ccc(Cl)c(Cl)c2)cs1 2331311508 ORMCGQZDBXGDKW-UHFFFAOYSA-N 463.389 7.742 50 10 JKGE COc1ccc(C(C)(C)C)cc1-c1csc(C(C#N)=C(O)C=Cc2ccc(Cl)cc2)n1 2331350847 YCPHOJLUMVTGSF-UHFFFAOYSA-N 450.991 7.276 50 10 JKGE COc1cc(C)c(-c2csc(C(C#N)=C(O)c3ccc(-n4cccc4)cc3)n2)cc1C(C)C 2331356205 ZYHPJNXHIRUNPG-UHFFFAOYSA-N 455.583 6.991 50 10 JKGE COc1ccc(-c2csc(C(C#N)=C(O)[C@@H](C(C)C)N3C(=O)c4ccccc4C3=O)n2)cc1Cl 2331398251 YECVTOVJMZJWDK-OAQYLSRUSA-N 493.972 5.586 50 10 JKGE COc1ccc(-c2csc(C(C#N)=C(O)CCCOc3c(C)cccc3C)n2)c(OC)c1OC 2331412975 YFAPITYVRKYYAT-UHFFFAOYSA-N 480.586 6.105 50 10 JKGE CCCOc1ccc(-c2csc(C(C#N)=Cc3cc(Br)cc(OC)c3O)n2)cc1 2331445382 PXFKFCLAJRPFSW-UHFFFAOYSA-N 471.376 6.140 50 10 JKGE CCCCCCOc1ccc(C=C(C#N)c2nc(-c3c(C)c(C)cc(C)c3C)cs2)cc1OC 2331468365 CHXKVBDOPMNHQD-UHFFFAOYSA-N 474.670 8.076 50 10 JKGE Fc1cc(Cl)c(Br)c(Cl)c1[C@@H](Br)c1ccccc1Br 2335287578 BLLCZEVSNLLWAM-NSHDSACASA-N 491.807 7.142 50 10 JKGE BrCc1ccc(Br)cc1N1CCc2scc(Br)c2C1 2336452547 YGDKBFWHGSBHHK-UHFFFAOYSA-N 466.036 5.731 50 10 JKGE Fc1c(Br)cc(Cl)c([C@H](Br)[C@@H]2C[C@H]3CC[C@H]2O3)c1Br 2337081296 UTKRFRJDYFTBRY-LIUHEQGWSA-N 477.393 6.008 50 10 JKGE Fc1c(Br)cc(Cl)c([C@H](Br)[C@H]2C[C@@H]2C2CCC2)c1Br 2337085784 DCCSGCOZNIPWKC-RGNHYFCHSA-N 475.421 6.876 50 10 JKGE FCCOc1ccc([C@@H](Br)c2sc(Cl)cc2I)cc1 2338556507 KNAZNDWWIKYERS-GFCCVEGCSA-N 475.548 5.839 50 10 JKGE Cc1cc(Br)c(F)c(Br)c1[C@@H](Br)C[C@H]1C[C@H]2C[C@H]2C1 2339653981 OHGMRRMZWVTXIY-MMWGEVLESA-N 455.003 6.531 50 10 JKGE O=C(c1cc(Br)sc1Br)N1C[C@H]2CCC[C@](CBr)(C2)C1 2357623211 WDEPRSCZEZZGHD-LKFCYVNXSA-N 486.067 5.300 50 10 JKGE C[C@@H](Br)C[C@@H]1CCCCCN1Cc1ccc(Cl)c(I)c1 2362376736 XZHWOMZLYAMLJB-OCCSQVGLSA-N 470.620 5.863 50 10 JKGE Cc1cc(Br)c(F)c(Br)c1[C@H](Br)[C@@]12CCC[C@@H]1OCC2 2365221010 ZAVYWLDQFKLLFL-NZVBXONLSA-N 471.002 6.054 50 10 JKGE C[C@@]1(NC(=O)c2scc(Br)c2Br)C[C@H]2CC[C@H]1C[C@H]2Br 2380896736 LAIFWFCOVBTODT-FJBRNLEUSA-N 486.067 5.345 50 10 JKGE CC(C)c1ccc(/C=N/NC(=O)CSc2nnc([C@H](C)Nc3cccc(Cl)c3)n2C)cc1 2762627 YKANXRPZKGGWMS-WJNWYLSZSA-N 471.030 5.007 50 10 JKGE O=C(N/N=C/c1ccc(OCc2ccccc2)cc1)N/N=C/c1ccc(OCc2ccccc2)cc1 20522792 SCEOZXTYLCEPTB-LVXWCJCWSA-N 478.552 5.512 50 10 JKGE Cc1ccc(N[C@@H](C)C(=O)NN=Cc2ccccc2OCc2ccc(Br)cc2)cc1 27528087 CKAQJKIPBYANPW-SFHVURJKSA-N 466.379 5.287 50 10 JKGE COc1ccc(NC(=O)/C(C#N)=C2/S[C@H](Cc3ccc(Cl)cc3)C(=O)N2c2ccccc2)cc1 34258944 KXHNNCGBUBEXGJ-QPQMVVSWSA-N 489.984 5.414 50 10 JKGE Cc1ccc(OCC(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@@H]3c2ccc(C(C)C)cc2)cc1C 38649590 IQMGFRIAJIWNJX-MUUNZHRXSA-N 468.553 5.629 50 10 JKGE N#CC1=C(N)Oc2cc(OC(=O)c3cc4ccccc4oc3=O)ccc2[C@@H]1c1c(F)cccc1Cl 38700587 ITYRLPISAPJUEO-QFIPXVFZSA-N 488.858 5.023 50 10 JKGE Cc1ccccc1C(=O)Oc1ccc(Br)cc1/C=N/NC(=O)c1ccc(C(C)(C)C)cc1 48573763 RPSQDVDHBMQIPB-LQKURTRISA-N 493.401 6.038 50 10 JKGE CCOc1cc(/C=N\NC(=O)CC[C@@H](O)c2ccccc2)cc(Cl)c1OCc1ccccc1C#N 58891419 HGMAJQXIRNMTRR-GMOKZYNCSA-N 491.975 5.153 50 10 JKGE O=C(N/N=C/c1ccc(Br)cc1)c1ccc([C@@H]2Nc3ccccc3[C@H]3C=CC[C@H]32)cc1 59471572 KVDXIYHAWLBVSG-BZWBJKSTSA-N 472.386 6.040 50 10 JKGE CC(=O)Nc1ccc(-n2c(C)cc(/C=C(/C#N)C(=O)Nc3ccc(Cl)cc3Cl)c2C)cc1 96663305 XLSYRSDTJIYXFQ-WQRHYEAKSA-N 467.356 5.905 50 10 JKGE O=C(Nc1ccccc1Oc1ccc2c(c1)C(=O)OC2=O)c1ccc(Oc2ccc([N+](=O)[O-])cc2)cc1 105684919 GFESEWXIPHUSFJ-UHFFFAOYSA-N 496.431 5.742 50 10 JKGE COc1ccc(CC[C@@H](Br)c2cc(Br)sc2Br)cc1 109869882 ZHBUBCGHJDYPOV-GFCCVEGCSA-N 469.036 6.351 50 10 JKGE Brc1cccc(C[C@H](Br)c2ccccc2I)c1 110303598 MODKPCDYIWVYKX-ZDUSSCGKSA-N 465.954 5.732 50 10 JKGE CCOc1cc(/C=C2\C(=O)N(Cc3ccc(C)cc3)C(=O)C(C#N)=C2C)ccc1OCCC(C)C 214382354 AZIKGDRZXRBCJN-IWIPYMOSSA-N 472.585 5.611 50 10 JKGE CCCOc1ccc([C@@H](Br)c2cc(F)cc(Br)c2)cc1Br 229008465 NMPXQHPFTCIVGR-MRXNPFEDSA-N 480.997 6.624 50 10 JKGE C[C@@H]1CCCC[C@H]1NC(=O)[C@H](c1ccc(Cl)cc1)N(Cc1ccc2c(c1)OCO2)C(=O)CCl 230274869 MCFMXVKIDOYGIC-MYRUOYEDSA-N 491.415 5.072 50 10 JKGE C[C@@H]1CCCC[C@H]1NC(=O)[C@H](c1ccccc1Cl)N(C(=O)CCl)c1ccc(Cl)cc1 230275329 FSIWTYUJPYINQH-QPJICYPMSA-N 467.824 6.001 50 10 JKGE CC[C@@H](C)c1ccc([C@H](Br)c2cc(Cl)ccc2I)cc1 233868153 ZMCHPRBOZDQTSU-DIFFPNOSSA-N 463.584 6.942 50 10 JKGE COc1cccc(C=NNC(=O)CSc2nc3ccccc3o2)c1OCc1ccccc1Cl 252629335 UDULKFVXCPKXSA-UHFFFAOYSA-N 481.961 5.311 50 10 JKGE COc1cc(C(=O)NN=Cc2c(OC(=O)c3cccc(C)c3)ccc3ccccc23)cc(OC)c1OC 254383994 QKJCWHDBGQBUGF-UHFFFAOYSA-N 498.535 5.157 50 10 JKGE O=C(NN=Cc1ccc(Sc2nc3ccccc3s2)c([N+](=O)[O-])c1)c1ccc(F)cc1 254834325 CZJIRZBAGNAKDG-UHFFFAOYSA-N 452.492 5.259 50 10 JKGE BrCc1c(I)ccc2c(I)csc12 307096922 DWODSZAUMOAEGA-UHFFFAOYSA-N 478.918 5.005 50 10 JKGE Brc1ccc([C@@H](Br)c2cc(I)cc3c2OCC3)s1 310691037 QNWUGCLCWPMKAL-LBPRGKRZSA-N 499.993 5.534 50 10 JKGE CCOc1ccc(Br)cc1[C@@H](Br)c1ccc(OCc2ccccc2)cc1 311748266 SUSXFBAVJJVGLY-QFIPXVFZSA-N 476.208 6.911 50 10 JKGE CC(C)(C)OC(=O)N1C[C@H](c2cc(Cl)ccc2I)[C@@H](CCl)C1 382720388 NDSCGICXGQHWMH-GWCFXTLKSA-N 456.151 5.134 50 10 JKGE CC1(C)CN(Cc2ccccc2)CC[C@H]1n1c(CCl)nc2cc(I)ccc21 390528831 YFVZHSOGYGQXFR-HXUWFJFHSA-N 493.820 5.853 50 10 JKGE C[C@H](Cl)c1nc2c(F)cc(F)cc2n1CCCN(Cc1ccccc1)Cc1ccccc1 390649347 OSYHLDMMSUBYKI-IBGZPJMESA-N 453.964 6.707 50 10 JKGE Fc1ccc([C@@H](CBr)Cc2cc(Cl)ccc2I)cc1 405530034 MKZCUVHQXMJDDY-GFCCVEGCSA-N 453.520 5.805 50 10 JKGE Fc1ccc([C@H](Br)c2scc(Br)c2Br)c2ccccc12 705462062 CXBJERFRLJZAJQ-ZDUSSCGKSA-N 479.006 7.050 50 10 JKGE Cn1nc(CC(CBr)(CBr)c2ccc(Br)cc2)cc1Cl 706185302 ZKFPQSRVIMZZGK-UHFFFAOYSA-N 485.445 5.106 50 10 JKGE CN(C[C@H]1CCCN(Cc2ccccc2)C1)c1cccc(Br)c1CBr 720017656 ZGDNILSFEJUYSB-GOSISDBHSA-N 466.261 5.692 50 10 JKGE CO[C@@H]1C[C@H]2[C@@H]3CC[C@H]([C@H](C)CI)[C@@]3(C)CC[C@@H]2[C@@]2(C)CC[C@@H]3C[C@@]312 725237734 PIDUBCKMZBAFGU-AMTFWXMSSA-N 456.452 6.341 50 10 JKGE CCOc1cc(C=NNC(=O)c2cccc(OC)c2)ccc1OCc1cccc2ccccc12 1084397061 PXUPILMLRATQKY-UHFFFAOYSA-N 454.526 5.590 50 10 JKGE CCOc1cc(C(=O)Oc2ccc(/C=C(\C#N)c3ccccc3OC)cc2)cc(OCC)c1OCC 1615099381 PYFVRUJNKYJSAY-CJLVFECKSA-N 487.552 6.175 50 10 JKGE COc1ccc(C(=O)NN=C2CCCc3oc(C(=O)Nc4ccc(C)c(Cl)c4)c(C)c32)cc1 1772745536 DKJIYVDREYPEAB-UHFFFAOYSA-N 465.937 5.281 50 10 JKGE CC(C)c1ccc([C@@H]2C(C#N)=C(N)Oc3c2c(C(F)(F)F)nn3Cc2ccc(Cl)cc2)cc1 1865686591 YBGXERPDPXYTMT-LJQANCHMSA-N 472.898 5.945 50 10 JKGE CCn1nc(-c2ccccc2)c2c1OC(N)=C(C#N)[C@@H]2c1ccc(OCCc2ccccc2)c(OC)c1 1865688375 QPIBGBOCXVYEJA-SANMLTNESA-N 492.579 5.418 50 10 JKGE CCc1nn(Cc2ccc(F)cc2)c2c1[C@@H](c1c(OC)ccc3ccccc13)C(C#N)=C(N)O2 1865688519 UGXQNVCLRBMMSL-XMMPIXPASA-N 454.505 5.013 50 10 JKGE CCOc1cccc([C@H]2C(C#N)=C(N)Oc3c2c(-c2ccccc2)nn3-c2ccc(OC)cc2)c1 1865689672 CGGKHXGDKCPABR-DEOSSOPVSA-N 464.525 5.165 50 10 JKGE CCCn1nc(-c2ccc(OC)cc2)c2c1OC(N)=C(C#N)[C@@H]2c1ccc(OCc2ccccc2)cc1 1865690291 NKTOPFICKVKIMY-SANMLTNESA-N 492.579 5.766 50 10 JKGE Cc1nn(Cc2ccc(Cl)c(Cl)c2)c2c1[C@@H](c1cn(C)c3ccccc13)C(C#N)=C(N)O2 1865699074 KFQVWLXPWZNGFS-JOCHJYFZSA-N 464.356 5.257 50 10 JKGE CCCc1nn(-c2ccc(Cl)cc2)c2c1[C@@H](c1ccc(C(F)(F)F)cc1)C(C#N)=C(N)O2 1865710658 DMWVMROMJIOZRF-IBGZPJMESA-N 458.871 5.715 50 10 JKGE COc1ccc(-c2nn(Cc3ccccc3F)c3c2[C@@H](c2cccc(C)c2)C(C#N)=C(N)O3)cc1 1865711072 OZNGMMUYIUFXTL-DEOSSOPVSA-N 466.516 5.273 50 10 JKGE CC[C@](C)(NC(=O)C[C@H](c1ccc(F)cc1)c1cccc(F)c1)C(=O)Nc1ccc(SC#N)cc1 1866784091 YMYYPVUGOMHLKA-SQHAQQRYSA-N 493.579 5.984 50 10 JKGE Cc1cccc(-n2nc(C(=O)N[C@@H](Cc3ccccc3)C(=O)Nc3ccc(SC#N)cc3)cc2C)c1 1866847987 XCADYHFICPKUSY-VWLOTQADSA-N 495.608 5.042 50 10 JKGE COCCc1nc(Nc2ccc(SC#N)cc2)cc(N2C[C@H](C)N(c3ccccc3)[C@H](C)C2)n1 1868253975 ZUSOWEITLFAGFY-BGYRXZFFSA-N 474.634 5.086 50 10 JKGE CC(C)c1ccc(O[C@H](C)/C(O)=C(\C#N)c2nc(-c3ccc(Cl)cc3Cl)cs2)cc1 1872745011 STTKUUIEUNVAQH-CINSFREOSA-N 459.398 7.500 50 10 JKGE COC(=O)c1ccccc1N1C[C@@H](/C(O)=C(\C#N)c2nc(-c3cccc(Cl)c3)cs2)CC1=O 1872748207 NDYYNNGHJOSPJO-YUCJCZDXSA-N 479.945 5.096 50 10 JKGE CC[C@@H](C)N1C(=O)c2ccc(/C(O)=C(\C#N)c3nc(-c4ccc(Cl)c(Cl)c4)cs3)cc2C1=O 1872748886 QZWGCVPHQFKHFY-ZZNSHVFXSA-N 498.391 6.461 50 10 JKGE CCCOc1ccc(-c2csc(/C(C#N)=C(\O)c3cc(OC)c(OC)c(OC)c3)n2)cc1 1872749283 JTDCFFQNPKOOPD-PYCFMQQDSA-N 452.532 5.575 50 10 JKGE COc1ccc(-c2csc(/C(C#N)=C(\O)[C@H]3CC(=O)N([C@@H](C)c4ccccc4)C3)n2)cc1F 1872752455 CYXZNJWUXONCKG-GWSZXWTRSA-N 463.534 5.360 50 10 JKGE COc1ccc(OCCC/C(O)=C(\C#N)c2nc(-c3cc(Cl)cc(Cl)c3OC)cs2)cc1 1872754062 ASIOWBPBBGORBX-UZYVYHOESA-N 491.396 6.786 50 10 JKGE COc1c(Cl)cc(-c2csc(/C(C#N)=C(\O)c3ccc([N+](=O)[O-])c(C)c3)n2)cc1Cl 1872756191 UBUPNURHDKNDJS-AQTBWJFISA-N 462.314 6.292 50 10 JKGE COc1cc(Cl)c(C)cc1-c1csc(/C(C#N)=C(\O)COc2cc(Cl)ccc2Cl)n1 1872757314 ZVWDXJXAKMYLNG-JXAWBTAJSA-N 481.788 6.959 50 10 JKGE CCCCCCOc1ccc(/C(O)=C(\C#N)c2nc(-c3ccc(OC)c4ccccc34)cs2)cc1 1872758628 IWXCGNKLJBRNAG-FVDSYPCUSA-N 484.621 7.881 50 10 JKGE N#C/C(=C\c1ccc(OCc2ccc(Cl)cc2Cl)cc1)c1nc(-c2ccc(F)c(F)c2)cs1 1872793132 JROTWLXUPWZKNC-GIJQJNRQSA-N 499.369 8.038 50 10 JKGE C[C@H](c1ccccc1)N1C[C@H](/C(O)=C(\C#N)c2nc(-c3ccc4ccccc4c3)cs2)CC1=O 1873941127 XQXCVIUODPNULK-ZURNSRTFSA-N 465.578 6.366 50 10 JKGE C[C@H](Br)CN(Cc1ccccc1)Cc1ccc(Cl)cc1I 1889652394 RFDSENZEODYSSU-ZDUSSCGKSA-N 478.599 5.730 50 10 JKGE BrCC1(Cc2c(Br)cccc2Br)CC2(CCCO2)C1 1912578198 FLFQDNBPTGNBOC-UHFFFAOYSA-N 453.012 5.478 50 10 JKGE Cc1cc(Br)c(C(=O)N(Cc2ccccc2)[C@@H](C)CBr)cc1Cl 1914216288 SCFDQNBPCUTGQD-ZDUSSCGKSA-N 459.609 5.837 50 10 JKGE O=C(c1ccc(Br)cc1C(F)(F)F)N(CCCBr)Cc1ccccc1 1914648125 PTRHYWWPQSABEZ-UHFFFAOYSA-N 479.134 5.895 50 10 JKGE Brc1ccc(CN2CC[C@@]3(CCC[C@@H]3Br)C2)c(Br)c1 1918933833 JBTWXFWRHRIBJL-GJZGRUSLSA-N 452.028 5.351 50 10 JKGE Cc1ccc(C[C@@H](Br)c2sc(Br)cc2Br)cc1C 1922943636 VZORABKIKIELRN-LLVKDONJSA-N 453.037 6.569 50 10 JKGE Cc1csc([C@H](Br)c2c(Br)sc(Br)c2Cl)c1Cl 1923048777 IZKQOFSJRBPYCF-RXMQYKEDSA-N 499.902 7.434 50 10 JKGE C[C@@H](C[C@H](Cl)c1c(Br)sc(Br)c1Br)C(C)(C)C 1924583628 MSUMRODSBQACRK-BQBZGAKWSA-N 467.492 7.388 50 10 JKGE Cl[C@H](C[C@@H]1C[C@H]2CC[C@H]1C2)c1c(Br)sc(Br)c1Br 1924592532 ZVLXZKJAIULGFI-XSPKLOCKSA-N 477.487 7.142 50 10 JKGE O=C(Nc1ccc(F)c(CBr)c1)c1c(Br)cccc1Br 1924855824 OUUHRRJFZJFLSF-UHFFFAOYSA-N 465.942 5.498 50 10 JKGE Clc1sc(Br)c(Cl)c1[C@@H](Br)c1ncsc1Br 1925621727 NZTOCISAEDPZAM-GSVOUGTGSA-N 486.863 6.521 50 10 JKGE Brc1cnsc1[C@@H](Br)c1cc(C2CC2)c(Br)s1 1945802008 SJSKZERBPDJRSJ-VIFPVBQESA-N 458.038 6.091 50 10 JKGE Cc1cc(Br)c([C@H](Br)c2nn(C)c(Cl)c2Br)s1 2001994248 MMVGSKBOJBSBAO-ZCFIWIBFSA-N 463.420 5.453 50 10 JKGE CN(Cc1ccccc1)[C@@H]1CCCN(c2cc(Br)ccc2CBr)C1 2003361123 SANQFAAFAQANIJ-LJQANCHMSA-N 452.234 5.445 50 10 JKGE ClCc1c(Cl)nc(Cl)n1-c1ccc(I)cc1Br 2006640296 ZITXOOLYKUEGJU-UHFFFAOYSA-N 466.331 5.285 50 10 JKGE CCc1sc(Br)cc1[C@@H](Br)c1cccc(Br)c1C 2030219006 IBDLJRCAMLFKCQ-AWEZNQCLSA-N 453.037 6.628 50 10 JKGE Brc1cc2c(cc1[C@H](Br)c1cscc1OCc1ccccc1)CCO2 2038688704 PBBXPJLNLAHDPT-FQEVSTJZSA-N 480.221 6.509 50 10 JKGE FC(F)(F)c1ccc(Cn2nc(CBr)c3c2C[C@H]2C[C@@H]32)cc1Br 2080758475 BRMDKKNGDJSOBQ-NXEZZACHSA-N 450.096 5.267 50 10 JKGE Cc1cc([C@@H](Br)c2cc(Br)c3c(c2)CCO3)sc1Br 2090462373 YTRNGRRDBNDYQB-LBPRGKRZSA-N 467.020 6.001 50 10 JKGE CCOc1ccc(Br)cc1[C@H](Br)c1scc(C)c1Br 2100814886 OTHBUBFBWMYWEY-ZDUSSCGKSA-N 469.036 6.465 50 10 JKGE Clc1cccc(Cl)c1C[C@H](Br)c1c(Cl)sc(Br)c1Cl 2104786172 BZQOIJRAUABWQP-LURJTMIESA-N 483.867 7.803 50 10 JKGE O=C(NC[C@@H]1CCCC[C@@H](Br)C1)c1scc(Br)c1Br 2107496794 GEZGAKFIMSKROR-RKDXNWHRSA-N 474.056 5.347 50 10 JKGE Cc1c(CBr)cc(Cl)cc1S(=O)(=O)N(Cc1ccccc1)CC1CCC1 2123269691 SLQWFKSMMIBAFC-UHFFFAOYSA-N 456.833 5.534 50 10 JKGE Cl[C@H](c1c(Br)sc(Br)c1Br)C1CC2(C1)CC21CCC1 2127505855 TTWZMYCIRVMTSX-YGVRBULQSA-N 489.498 7.286 50 10 JKGE Cc1cc(Br)c(C)c([C@@H](Br)C23CCC(CC2)C3)c1Br 2136368026 CVZVLNRXXSWZDN-YWCUFVOSSA-N 451.040 6.845 50 10 JKGE Cc1cc(F)c(Cl)cc1[C@@H](Br)c1cc(Br)ccc1Br 2137069802 GTSRTBXROIREPR-CQSZACIVSA-N 471.389 6.797 50 10 JKGE Brc1ccc([C@H](Br)[C@@H]2C[C@H]3COC[C@H](C3)C2)c(Br)c1 2141795352 WJNPKEHCXNHMQG-DZHLUBAWSA-N 453.012 5.710 50 10 JKGE C[C@H](Cl)c1nc2cc(Br)c(Cl)cc2n1[C@@H]1C[C@H](C)N(Cc2ccccc2)C1 2160082258 GWJNKBDNHVHDEV-OFQRWUPVSA-N 467.238 6.588 50 10 JKGE CC(C)(C)OC(=O)Nc1ccc([S@](C)(=O)=NCC2(CBr)CCCCC2)cc1 2163061272 FTMWMUXAYRGLEJ-MHZLTWQESA-N 459.450 5.836 50 10 JKGE Cc1ccc([C@@H](Br)c2cc(Cl)c(C)c(Br)c2)c(C)c1Br 2167384460 OCHNMLWAFQUXEC-INIZCTEOSA-N 481.453 7.275 50 10 JKGE COc1ccc(Br)cc1[C@@H](Br)c1cc(Cl)c(C)c(Br)c1 2167387012 BQGKLTKOZDZPAV-HNNXBMFYSA-N 483.425 6.666 50 10 JKGE CC(C)[C@@H](CN(C)Cc1ccccc1)n1c(CCl)nc2cc(Cl)c(Br)cc21 2169008352 FIPUKLZXXVCLOI-HXUWFJFHSA-N 469.254 6.520 50 10 JKGE Fc1cc(Br)cc(N2CC[C@@H]3[C@H](CCCN3Cc3ccccc3)C2)c1CBr 2170697188 PJJHGEKWWOTUTR-DYESRHJHSA-N 496.262 5.974 50 10 JKGE CN(C(=O)c1cccc(Br)c1Br)[C@@H]1CCCCC[C@H]1Br 2172543340 KGFNTKWLMWRJCM-DGCLKSJQSA-N 468.027 5.380 50 10 JKGE CC1(C)C[C@@](C)(CBr)CN1C(=O)c1cc(Br)cc(Br)c1 2199540482 QGYPQVKHMOVOAU-HNNXBMFYSA-N 468.027 5.237 50 10 JKGE COc1cc(Cl)c([C@@H](Cl)c2c(Br)sc(C)c2C)cc1Br 2202356611 MZWAHQIAUUTBSM-CYBMUJFWSA-N 459.030 6.880 50 10 JKGE Cc1c(Br)ccc([C@@H](Br)C2C3(CCC3)C23CCC3)c1Br 2203990879 MJYTWXLODJVAPW-CQSZACIVSA-N 463.051 6.926 50 10 JKGE C[C@H](CCBr)N(Cc1ccccc1)S(=O)(=O)Cc1ccsc1Br 2210632920 MOWAZWCFVQJKLB-CYBMUJFWSA-N 481.275 5.016 50 10 JKGE Brc1cc([C@H](Br)[C@@H]2OC[C@@H]3CCCC[C@H]32)sc1Br 2218097357 FHXHRQOKKAOMPT-IZLWQMGWSA-N 459.041 5.914 50 10 JKGE Brc1cc([C@@H](Br)[C@@H]2C[C@H]3CCC[C@H](C3)C2)sc1Br 2218351302 OKAQSPDAOTZCGC-WTBMIXGQSA-N 457.069 6.926 50 10 JKGE Fc1ccccc1[C@@H](Cl)Cc1sc(Br)c(Br)c1Br 2222469146 AIEVVYWCTGSCTI-ZETCQYMHSA-N 477.418 6.697 50 10 JKGE Cc1nsc(Br)c1[C@H](Br)c1ccc2c(c1Br)CCO2 2229732719 BMAYTMMQPFZQCV-GFCCVEGCSA-N 468.008 5.396 50 10 JKGE Cc1cc(F)cc([C@@H](Br)c2c(Br)cc(Cl)c(Cl)c2Cl)c1 2232510236 GNNXMRTUZYLMJY-GFCCVEGCSA-N 461.383 7.341 50 10 JKGE FC(F)(F)COCC[C@@H](Br)c1c(Br)cc(Cl)c(Cl)c1Cl 2232510493 HCQKETBTTWUMTD-RXMQYKEDSA-N 479.345 6.814 50 10 JKGE Cc1c(Br)sc([C@@H](Br)CC2CC(OC(C)(C)C)C2)c1Br 2232951547 SFOQRXZUCBSBCI-ILDUYXDCSA-N 489.111 7.001 50 10 JKGE COc1cc([C@H](Br)c2scc(Br)c2C)c(OC)cc1Br 2234514145 CLRFXHDLFUJHJP-ZDUSSCGKSA-N 485.035 6.083 50 10 JKGE Cc1cc(Br)c([C@@H](Br)[C@H]2CC[C@H]3C[C@H]2CO3)c(C)c1Br 2235615502 RYQRKHWWAJFUJX-YWDSYVAPSA-N 467.039 6.080 50 10 JKGE Cc1cc(Br)c([C@H](Br)[C@@H]2C[C@H]3[C@@H](C2)C3(C)C)c(C)c1Br 2235615783 VKQOIUSKWVZQJH-AZKPJATDSA-N 465.067 6.947 50 10 JKGE CC1(C)CN(C(=O)c2cc(Br)cc(Br)c2)C[C@H]1CCBr 2238461803 WGVHYCASZRZRRY-LLVKDONJSA-N 468.027 5.095 50 10 JKGE COc1ccc([C@@H](Br)c2occc2Br)c(Br)c1Cl 2256327912 UBCKNPHYRKYZCT-SNVBAGLBSA-N 459.359 5.951 50 10 JKGE Fc1cc(Br)c(F)c(Br)c1[C@@H](Br)c1cscc1Cl 2259994280 FFAIFROEJMPNGU-VIFPVBQESA-N 481.381 6.689 50 10 JKGE CCc1cc(Br)c([C@@H](Br)c2cc(F)c(Br)cc2F)s1 2267243508 XFNJQBPLZCLEKT-LBPRGKRZSA-N 474.990 6.598 50 10 JKGE Cc1c(CBr)cccc1NC(=O)c1scc(Br)c1Br 2268261769 MKLLLKHKJVXFJX-UHFFFAOYSA-N 468.008 5.729 50 10 JKGE COC[C@]1(C)C[C@@H]1[C@@H](Br)c1c(C)c(Br)cc(C)c1Br 2269277286 BXKATWILBGNCRE-KMUNFCNLSA-N 455.028 5.937 50 10 JKGE C[C@@H]1OCC[C@H]1C[C@@H](Br)c1c(F)cc(Br)c(F)c1Br 2272747742 NNSNIXUAYAAZET-BIIVOSGPSA-N 462.954 5.741 50 10 JKGE COc1cc(OC)c([C@@H](Br)c2ccsc2Br)cc1Br 2278017781 MCZVNEXJBXTHIJ-LBPRGKRZSA-N 471.008 5.775 50 10 JKGE CN(C(=O)c1ccc(Cl)c(I)c1)[C@H]1CCCCC[C@@H]1Br 2283666203 QACMOGAZVNUAAH-FZMZJTMJSA-N 470.576 5.113 50 10 JKGE COc1cc(C)c(Br)c(C)c1[C@@H](Br)c1cccc(OCc2ccccc2)c1 2285074601 KTGFQEFHRINETI-QHCPKHFHSA-N 490.235 7.138 50 10 JKGE CCCCc1ccc([C@H](Br)Cc2cc(Br)cc(Br)c2)s1 2295267743 PYYNADXXSHERFJ-OAHLLOKOSA-N 481.091 7.294 50 10 JKGE N#CC(=Cc1ccc(-c2ccc(F)cc2)o1)C(=O)Nc1ncc(Cc2cc(Cl)ccc2Cl)s1 2296818973 HBZQFTRHQSSLBE-UHFFFAOYSA-N 498.366 6.985 50 10 JKGE C=CCOc1c(I)cc(C=C(C#N)c2ccc(Cl)cc2)cc1OC 2297368488 RZYJLOAJTCCYPU-UHFFFAOYSA-N 451.691 5.582 50 10 JKGE CC[C@@H]([C@@H](Br)c1cc(Br)ccc1OCc1ccccc1)C(C)(F)F 2299489137 MTUFHJKFRMVRDT-WMZOPIPTSA-N 462.172 7.146 50 10 JKGE BrC[C@]1(Cc2ccc(I)c(Br)c2)CC=CCC1 2306227427 MYIYJTKPZLJOMD-CQSZACIVSA-N 469.986 5.718 50 10 JKGE Clc1c(Br)sc(Br)c1[C@H](Br)[C@H]1O[C@H]2CC[C@H]1C2 2307421863 YNFNZXAPOGLYMM-VUEDAWARSA-N 465.432 5.930 50 10 JKGE COc1cc(C=C(C#N)C(=O)Nc2cccc(C)c2C)ccc1OCc1ccc(C(=O)O)cc1 2313555866 BLEUFWJZNQOTLQ-UHFFFAOYSA-N 456.498 5.135 50 10 JKGE Cc1ccc(NC(=O)C(C#N)=Cc2ccccc2OCc2ccc(I)cc2)cc1 2313571269 RCTUGQOBCNNQHE-UHFFFAOYSA-N 494.332 5.724 50 10 JKGE Fc1cc(Cl)c(Br)c(Cl)c1[C@@H](Br)c1csc(Cl)c1 2313825780 ARNITLBXPPBREI-VIFPVBQESA-N 453.385 7.094 50 10 JKGE CCOc1cc(C=C2C(=O)N([C@@H](C)CC)C(=O)C(C#N)=C2C)ccc1OCc1ccc(C)cc1 2314611736 ZMIFXCAOTUPYSE-IBGZPJMESA-N 458.558 5.364 50 10 JKGE CCOc1ccc(-c2nn(-c3ccccc3)cc2C=C2C(=O)N(CC(C)C)C(=O)C(C#N)=C2C)cc1F 2314611740 ZOBSORHEOKQPFJ-UHFFFAOYSA-N 498.558 5.325 50 10 JKGE CC1=C(C#N)C(=O)N(Cc2ccccc2Cl)C(=O)C1=Cc1ccc(-c2ccc(Cl)cc2Cl)o1 2314619528 AHBGWYCPXYWMRG-UHFFFAOYSA-N 497.765 6.699 50 10 JKGE Cc1ccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)C=Cc4ccc(Cl)cc4Cl)ccc32)o1 2314634678 WXLFTFIZFBCLQX-QHCPKHFHSA-N 467.308 5.732 50 10 JKGE COc1cc(C=C(C#N)C(=O)NCc2ccco2)ccc1OCc1c(Cl)cccc1Cl 2314739595 GWIRLIDCQPDKIU-UHFFFAOYSA-N 457.313 5.397 50 10 JKGE C[C@@H]1CO[C@H]([C@H](Br)c2c(Cl)cc(Br)c(F)c2Br)C1 2315440647 VWPKQOYEKFPNLF-MAHGNNSGSA-N 465.382 5.865 50 10 JKGE CCN(C=C(C#N)C(=O)N1CCN(C(c2ccccc2)c2ccccc2)CC1)c1cccc(C)c1 2324609694 KXPCLXZKWWTEES-UHFFFAOYSA-N 464.613 5.163 50 10 JKGE CCc1sc(NC(=O)C(C#N)=Cc2ccccc2)c(C(=O)OC)c1-c1ccc(Br)cc1 2325311268 UGNMKYMHPXVDBY-UHFFFAOYSA-N 495.398 6.072 50 10 JKGE C[C@H](CCCCCI)NCc1cc(I)ccc1Cl 2327395189 OBMMQJRWZHPKSB-LLVKDONJSA-N 491.582 5.418 50 10 JKGE COCCOc1ccc(C=C(C#N)C(=O)Nc2ccc(-c3nc4ccc(C)cc4s3)cc2)cc1 2331123369 MOPAZJWNKGQKOH-UHFFFAOYSA-N 469.566 5.843 50 10 JKGE N#CC(=C(O)C=Cc1cccc([N+](=O)[O-])c1)c1nc(-c2ccc(-c3ccccc3)cc2)cs1 2331232015 ZSUOVDSCEDQSLP-UHFFFAOYSA-N 451.507 6.891 50 10 JKGE N#CC(=C(O)CCCCCNC(=O)c1ccccc1)c1nc(-c2ccccc2Cl)cs1 2331271685 ZGCVLVUGDVYAKI-UHFFFAOYSA-N 451.979 6.247 50 10 JKGE COc1c(Cl)cc(Cl)cc1-c1csc(C(C#N)=C(O)COc2cccc(C)c2C)n1 2331362841 UOCSRWSVJLCKLT-UHFFFAOYSA-N 461.370 6.614 50 10 JKGE COc1cc(OC)c(-c2csc(C(C#N)=C(O)[C@H](C)Oc3ccccc3C(C)C)n2)cc1Cl 2331378555 ACZWEXUKGXTFDY-HNNXBMFYSA-N 485.005 6.864 50 10 JKGE N#CC(=Cc1cc(Br)cc(Br)c1O)c1nc(-c2ccc(F)cc2)cs1 2331459045 GOATYYDBKIRYKG-UHFFFAOYSA-N 480.156 6.244 50 10 JKGE CCCCOc1ccc(C=C(C#N)c2nc(-c3cc(C(C)(C)C)ccc3C)cs2)cc1OCC 2331478452 KZFVSGWPAMCKHH-UHFFFAOYSA-N 474.670 8.058 50 10 JKGE CC(C)(c1ccccc1)[C@@H](Br)c1cc(Br)ccc1OCc1ccccc1 2336048515 UZGIJSAPOJVTID-QFIPXVFZSA-N 474.236 7.442 50 10 JKGE Fc1c(Br)cc(Cl)c([C@H](Br)C2CC3(CCC3)C2)c1Br 2337095415 AEUKQTONGHKWJK-LLVKDONJSA-N 475.421 7.020 50 10 JKGE Fc1c(Br)cc(Cl)c([C@H](Br)[C@@H]2CC23CCCC3)c1Br 2337110393 AFBJGCIORQJIRE-WRWORJQWSA-N 475.421 7.020 50 10 JKGE Cc1c(COC2(CBr)CCN(C(=O)OC(C)(C)C)CC2)ccc(Cl)c1Cl 2339517367 OIPQYLCEUYHIBN-UHFFFAOYSA-N 467.231 5.983 50 10 JKGE Fc1cc(Cl)c([C@@H](Br)c2ccc(Cl)cc2I)cc1Cl 2340064580 GKCUFNKYBDABSY-ZDUSSCGKSA-N 494.356 6.875 50 10 JKGE Cc1cc(Br)c(C(C)C)cc1[C@@H](Br)c1occc1Br 2352799160 HPLUTSZBMAPRHG-CQSZACIVSA-N 450.996 6.721 50 10 JKGE Fc1c(Br)cc(Cl)c([C@H](Br)C(F)(F)C2CCCC2)c1Br 2362231968 IFAKHERBXSKOQW-LBPRGKRZSA-N 499.390 7.266 50 10 JKGE Fc1c(Br)cc(Cl)c([C@H](Br)[C@@H]2OC[C@H]3CCC[C@@H]32)c1Br 2362233455 ALVYVFVSGPHKHL-HOSYDTLASA-N 491.420 6.255 50 10 JKGE COCC1([C@@H](Br)c2c(Cl)cc(Br)c(F)c2Br)CCCC1 2362255844 RNNYURSGFDGIPZ-ZDUSSCGKSA-N 493.436 6.647 50 10 JKGE FC(F)(F)c1cccc(Cl)c1[C@@H](Cl)c1sc(Cl)cc1I 2363877249 NHISCAMVIDUSRZ-SNVBAGLBSA-N 471.496 7.007 50 10 JKGE C[C@](CI)(OC[C@H]1C[C@@]12CC2(F)F)c1ccccc1Br 2380603367 VHIQUDZQFKZKTJ-LERXQTSPSA-N 457.096 5.161 50 10 JKGE CCOC(=O)c1c(-c2ccc(CC)cc2)csc1NC(=O)/C(C#N)=C/c1ccc(Cl)cc1 1974822 NUESNFFYIUFOBD-CPNJWEJPSA-N 464.974 6.353 50 10 JKGE N#C/C(=C/c1ccccc1OC(=O)c1cccc2ccccc12)C(=O)Nc1cc(Cl)cc(Cl)c1 2800880 FABMLIDLVNKUER-UNOMPAQXSA-N 487.342 6.911 50 10 JKGE Cc1cc([C@H]2C(C#N)=C(N)N(c3ccccc3Cl)C3=C2C(=O)C[C@@H](c2ccccc2)C3)c(C)s1 9981964 RQHDIHDEIMWWRF-SIBVEZHUSA-N 486.040 6.717 50 10 JKGE C/C(=N\NC(=O)[C@@H]1C[C@H]1c1ccc(C(C)(C)C)cc1)c1cccc(NC(=O)c2ccccc2F)c1 20157919 FWPPNHQXHLKRAG-PHCKCDHCSA-N 471.576 6.019 50 10 JKGE COc1ccc(/C=N/NC(=O)c2ccc(Cl)cc2)cc1CSc1nc2ccccc2o1 27499404 SFJLFNJWTFQUQI-DHRITJCHSA-N 451.935 5.546 50 10 JKGE N#C/C(=C/Oc1ccc2c(C(F)(F)F)cc(C(F)(F)F)nc2n1)c1ccc(Cl)cc1Cl 33451924 BSBCFSSKXMBAOP-HJWRWDBZSA-N 478.179 6.918 50 10 JKGE CCOc1ccc(/C=C2/CN(C(C)C)CC3=C2OC(N)=C(C#N)[C@@H]3c2ccc(OCC)cc2)cc1 33903917 DMEIACXFOZBZLH-PJCRJCBDSA-N 471.601 5.353 50 10 JKGE CCNC(=O)/C(C#N)=C/c1cn(-c2ccccc2)nc1-c1cccc(OCc2ccc(C)cc2)c1 35446145 WQDBFKZOIKRZRJ-LFVJCYFKSA-N 462.553 5.470 50 10 JKGE CCCCN1C(=O)C(C#N)=C(C)/C(=C\c2cn(-c3ccccc3)nc2-c2c(C)cc(C)cc2C)C1=O 38603560 GEUSKXRQWZNWSA-PCLIKHOPSA-N 478.596 5.857 50 10 JKGE CCCCCN1C(=O)C(C#N)=C(C)/C(=C\c2cn(-c3ccccc3)nc2-c2c(C)cc(C)cc2C)C1=O 38603752 NXWAROVJAPQTQE-YZSQISJMSA-N 492.623 6.247 50 10 JKGE O=C(NNc1ncnc(Oc2cccc3cccnc23)c1[N+](=O)[O-])C(c1ccccc1)c1ccccc1 40618503 KKUCFWQIVUINHV-UHFFFAOYSA-N 492.495 5.001 50 10 JKGE N#C/C(=C1\C(=O)N(C(c2ccccc2)c2ccccc2)c2ccccc21)c1nc2ccccc2[nH]1 50685814 SKVMFENZKBGGFR-SLEBQGDGSA-N 452.517 6.133 50 10 JKGE Cc1ccc(COc2ccccc2/C=N/NC(=O)c2ccc(-n3c(C)ccc3-c3ccccc3)cc2)cc1 59680071 VCWLNDDJEUKKIG-PPOKSSTKSA-N 499.614 7.104 50 10 JKGE COc1ccc([C@H](Br)c2cc(C)c(Br)cc2C)cc1Br 70472201 KSNBLMWFYCBGSE-INIZCTEOSA-N 463.007 6.321 50 10 JKGE CCc1ccccc1NC(=O)/C(C#N)=C\c1ccc(OC)c(COc2ccc(C(C)(C)C)cc2)c1 96438616 BVFQZLZSCXTVBD-QJOMJCCJSA-N 468.597 6.680 50 10 JKGE CCc1ccc(N2C(=O)[C@H](Cc3cccc(Cl)c3)S/C2=C(/C#N)C(=O)NCc2ccco2)cc1 101242049 HJJPJSQGAROEOB-YDYXIROLSA-N 492.000 5.238 50 10 JKGE Cc1ccc(N2C(=O)[C@@H](Cc3ccccc3Cl)S/C2=C(/C#N)C(=O)Nc2ccccc2)cc1C 101244823 DCTPUTGVHOJDJS-OGCOBRASSA-N 488.012 6.022 50 10 JKGE CCOc1ccc(N2C(=O)[C@H](Cc3ccccc3)S/C2=C(/C#N)C(=O)Nc2ccccc2C)cc1 101245149 YWSINNIACLZAJA-IDJUBOEBSA-N 483.593 5.459 50 10 JKGE CCc1ccc(N2C(=O)[C@H](Cc3ccccc3)S/C2=C(/C#N)C(=O)Nc2ccccc2OC)cc1 101246395 NOZYTGNJMDYJDG-NNHPPCHPSA-N 483.593 5.323 50 10 JKGE C=CCOc1ccc(-c2nn(-c3ccccc3)cc2/C=C2/C(=O)N(C(C)C)C(=O)C(C#N)=C2C)cc1 101303332 ARZMUGBATXDSDF-PCLIKHOPSA-N 478.552 5.105 50 10 JKGE CCOc1cc(/C=C(/C#N)c2ccc([N+](=O)[O-])cc2)ccc1OCCOc1ccc(C(C)(C)C)cc1 101399950 DOYNLSMJBLCOLN-NKFKGCMQSA-N 486.568 6.813 50 10 JKGE CCCCCCOc1ccc(OCCOc2ccc(/C=C(/C#N)C(=O)NCc3ccco3)cc2)cc1 102465981 SJCASUZMZMSRHH-GFMRDNFCSA-N 488.584 5.920 50 10 JKGE Fc1ccc(F)c(CC(CBr)(CBr)c2cccc(Br)c2)c1 118878792 OSZBZKMFSGSQFM-UHFFFAOYSA-N 482.988 5.998 50 10 JKGE Fc1cc(Cl)c(-n2c(CCl)nc3cc(I)ccc32)c(Cl)c1 123546133 DQRGEGKEMHLDDT-UHFFFAOYSA-N 455.485 5.815 50 10 JKGE Cc1cc([C@@H](Br)c2cc(Br)ccc2Br)ccc1Cl 138382820 RGOMRGIYGNPVEP-CQSZACIVSA-N 453.399 6.658 50 10 JKGE Fc1cccc(Br)c1[C@@H](Br)c1cc(Br)cc2c1OCC2 161228389 AUGOPAFOUPETHO-AWEZNQCLSA-N 464.954 5.770 50 10 JKGE CCCCCCCCOc1ccc(/C=C2\C(=O)N(CCCOCC)C(=O)C(C#N)=C2C)cc1OC 214302356 QRXFTIJZHBAFDM-NKFKGCMQSA-N 482.621 5.453 50 10 JKGE CCCCCCOc1ccc(/C=C2\C(=O)N(Cc3ccc(OC)cc3)C(=O)C(C#N)=C2C)cc1OC 214396958 YIIAMNXMAXBVMA-JLPGSUDCSA-N 488.584 5.455 50 10 JKGE CCOc1cc(/C=C2\C(=O)N(Cc3ccc(OC)cc3)C(=O)C(C#N)=C2C)ccc1OCCC(C)C 214397587 NLIPBBHTHLGWLU-IWIPYMOSSA-N 488.584 5.311 50 10 JKGE COc1cccc(C[C@H](Cl)c2cc(Br)ccc2I)c1 234992740 OMXUSWJVMCLTOE-AWEZNQCLSA-N 451.529 5.585 50 10 JKGE Cc1csc(COc2c(Br)cc(CBr)cc2Br)n1 235930843 DWSNVTUVGPODLS-UHFFFAOYSA-N 455.997 5.450 50 10 JKGE O=[N+]([O-])c1ccc(C[C@@H](Cl)c2cc(Br)ccc2I)cc1 236029133 HGBCBDGXQXSLKY-CYBMUJFWSA-N 466.500 5.485 50 10 JKGE COc1ccc(CCC(=O)OCC(=O)N(N=Cc2ccccc2)c2cccc(C(F)(F)F)c2)cc1 254315615 BENOYIQVZYXHMZ-UHFFFAOYSA-N 484.474 5.257 50 10 JKGE CCOC(=O)c1ccc(-c2ccc(C=NNC(=O)CSC3c4ccccc4-c4ccccc43)o2)cc1 254736927 IWDTUIFHNCRJSF-UHFFFAOYSA-N 496.588 6.077 50 10 JKGE CC(=NNC(=O)/C(=C/c1ccc(N(C)C)cc1)NC(=O)c1ccccc1)c1ccc2ccccc2c1 254758707 GZMRGFXQJOCAMO-NWIROFIJSA-N 476.580 5.217 50 10 JKGE Fc1cc2nc(CCl)n(C[C@@H]3CCCN(Cc4ccccc4)C3)c2cc1Br 380123850 RKKHSTLUFHEHGE-MRXNPFEDSA-N 450.783 5.589 50 10 JKGE Fc1cc2c(cc1I)nc(CCl)n2-c1ccccc1OCc1ccccc1 380983019 ADFJEHGWUNXDGU-UHFFFAOYSA-N 492.719 6.087 50 10 JKGE CC(C)(C)OC(=O)N1C[C@H](c2cc(Cl)cc(Cl)c2)[C@@H](CI)C1 382684463 BCOGMWAAZABMND-SMDDNHRTSA-N 456.151 5.379 50 10 JKGE Cc1cc([C@H](Br)c2c(Br)cc(F)c(F)c2F)ccc1Br 398743024 RTTAXIBMFLOYIM-LBPRGKRZSA-N 472.924 6.422 50 10 JKGE BrCc1cc(Br)c(OC[C@@H]2CC[C@@H]3C[C@H]3C2)c(Br)c1 403703909 DCTLHLOTYMFHTJ-YUSALJHKSA-N 453.012 5.922 50 10 JKGE FC(F)(F)c1csc([C@@H](Br)c2ccsc2Br)c1Br 698548660 BVLWQMHHBUKUPV-LURJTMIESA-N 484.982 6.838 50 10 JKGE C[C@H](Cl)c1nc2cc(I)ccc2n1[C@H]1C[C@@H](OCc2ccccc2)C1(C)C 718083061 ZSCPFBROBPJBBS-PNHOKKKMSA-N 494.804 6.497 50 10 JKGE O=C(NN=Cc1ccccc1OCc1ccccc1)C(=O)Nc1ccc(Cl)c(C(F)(F)F)c1 1083908914 ZAPRVDTYACYDNB-UHFFFAOYSA-N 475.854 5.027 50 10 JKGE C=CCOc1c(Br)cc(/C=C(\C#N)C(=O)Nc2cccc(Cl)c2Cl)cc1OCC 1083956018 ZQHDNIOXNRXSGY-NTEUORMPSA-N 496.188 6.265 50 10 JKGE O=C(COc1ccc(C=NNC(=O)c2ccc(CSc3ccccc3)cc2)cc1)Nc1ccccc1 1084056306 BRJKXLXNETWMNC-UHFFFAOYSA-N 495.604 5.760 50 10 JKGE COC(=O)c1cccc(-n2c(C)cc(/C=C(\C#N)C(=O)Nc3cccc(Cl)c3Cl)c2C)c1 1084362699 XEAIMJUGVKQRPM-WOJGMQOQSA-N 468.340 5.733 50 10 JKGE CCc1cccc(C)c1-n1c(C)cc(C=NNC(=O)c2cccc(-n3c(C)ccc3C)c2)c1C 1084620995 IHQMYKRKJFWTHB-UHFFFAOYSA-N 452.602 6.136 50 10 JKGE Cc1ccccc1C(=O)NN=C1CCCc2oc(C(=O)Nc3ccc(Br)cc3)c(C)c21 1772743481 CJZDFVLYFVLPGI-UHFFFAOYSA-N 480.362 5.382 50 10 JKGE CCCOc1ccc(C=NNC(=O)COc2cc(C)c(Cl)c(C)c2Br)cc1OC 1772756547 QJJYALQCGWWZNR-UHFFFAOYSA-N 483.790 5.046 50 10 JKGE C[C@H](Oc1cccnc1NC(=O)Oc1ccc([N+](=O)[O-])cc1)C(=O)Nc1cc(Cl)ccc1Cl 1858687118 HOMIFRKYJNSPRT-LBPRGKRZSA-N 491.287 5.314 50 10 JKGE CCc1nn(-c2ccc(Br)cc2)c2c1[C@@H](c1ccc(C(C)(C)C)cc1)C(C#N)=C(N)O2 1865682594 SAYFDONTZYQEMP-NRFANRHFSA-N 477.406 5.713 50 10 JKGE CCOc1ccc([C@@H]2C(C#N)=C(N)Oc3c2c(CC)nn3-c2cccc3ccccc23)cc1OCC 1865689854 XQTRDCZOQIVQIE-AREMUKBSSA-N 480.568 5.603 50 10 JKGE CCOc1cccc([C@@H]2C(C#N)=C(N)Oc3c2c(-c2ccccc2)nn3Cc2ccccc2F)c1 1865690703 ZCUINSXYWYRUPL-XMMPIXPASA-N 466.516 5.354 50 10 JKGE CCCOc1ccc([C@@H]2C(C#N)=C(N)Oc3c2c(CC)nn3-c2ccc(C)cc2)cc1OCC 1865691273 OEOLNAFNYGCUGK-XMMPIXPASA-N 458.562 5.149 50 10 JKGE CCCc1nn(-c2ccccn2)c2c1[C@H](c1ccc(OCc3ccc(Cl)cc3)cc1)C(C#N)=C(N)O2 1865694782 BIKCYBIURJDKHH-RUZDIDTESA-N 497.986 5.670 50 10 JKGE CCN(Cc1ccccc1)c1ccc([C@H]2C(C#N)=C(N)Oc3c2c(-c2ccccc2)nn3CC)cc1 1865707161 PKCQUIILZUACFW-SANMLTNESA-N 475.596 5.815 50 10 JKGE CCc1ccc([C@@H]2C(C#N)=C(N)Oc3c2c(-c2ccccc2)nn3Cc2ccccc2Cl)cc1 1865709664 ZHLYTBSQIMKJSH-XMMPIXPASA-N 466.972 6.032 50 10 JKGE Cc1cccc([C@H]2C(C#N)=C(N)Oc3c2c(C(F)(F)F)nn3Cc2c(F)cccc2Cl)c1 1865711194 RVVZGACZVXJWMY-KRWDZBQOSA-N 462.834 5.269 50 10 JKGE CC(C)(C)c1nc(Nc2ccc(SC#N)cc2)cc(N2CC[C@@H](c3ccc4c(c3)OCO4)C2)n1 1868342728 YIFJFHZYIIANFZ-GOSISDBHSA-N 473.602 5.813 50 10 JKGE COc1cc2nc(/C(C#N)=C/c3cc(C(C)(C)C)c(O)c(C(C)(C)C)c3)nc(O)c2cc1OC 1872727696 UGSSUIAHNFOSJZ-CXUHLZMHSA-N 461.562 5.717 50 10 JKGE COc1ccc(/C=C(\C#N)c2cc3c(cc2[N+](=O)[O-])OCCO3)cc1OCc1ccc(Cl)cc1 1872728668 NKOBWLGSLRJQBW-VCHYOVAHSA-N 478.888 5.671 50 10 JKGE CCCCc1ccc(-c2csc(/C(C#N)=C(\O)c3cc(OC)c(OC)cc3[N+](=O)[O-])n2)cc1 1872744777 HVZRIRMCZJCSJL-NKFKGCMQSA-N 465.531 6.028 50 10 JKGE CCCCc1ccc(-c2csc(/C(C#N)=C(\O)CCCCCNC(=O)c3ccccc3)n2)cc1 1872744897 NOHXCDNKLZIKJU-LCUIJRPUSA-N 473.642 6.936 50 10 JKGE CC(C)(C)c1ccc(-c2csc(/C(C#N)=C(\O)COc3cc(Cl)ccc3Cl)n2)cc1 1872751187 VTDKXOPBIAYJEN-JZJYNLBNSA-N 459.398 7.286 50 10 JKGE COc1cc(/C=C/C(O)=C(\C#N)c2nc(-c3ccc(F)c(F)c3)cs2)cc(OC)c1OC 1872751598 OWOLNUBSRVJAHS-KYBBCCOLSA-N 456.470 5.620 50 10 JKGE COc1ccc(OC)c(C/C(O)=C(\C#N)c2nc(-c3cc(C(C)(C)C)ccc3OC)cs2)c1 1872751831 VXYQKEQULXVLAR-XDOYNYLZSA-N 464.587 6.169 50 10 JKGE CCOc1ccc(-c2csc(/C(C#N)=C(\O)CCCOc3ccccc3C)n2)c(OCC)c1 1872755388 LARNICHXQNABEF-LNVKXUELSA-N 464.587 6.568 50 10 JKGE CCOc1ccc(-c2csc(/C(C#N)=C/c3cc4c(cc3[N+](=O)[O-])OCCO4)n2)c(OCC)c1 1872793980 DFYJSEIFPNYKIW-CXUHLZMHSA-N 479.514 5.351 50 10 JKGE CSCC[C@H](NC(=O)OC(C)(C)C)C(=O)N/N=C/c1cccc(OCc2cccc(Cl)c2)c1 1873793283 GYDYAWOJFZHQEB-YYHBXHNPSA-N 492.041 5.016 50 10 JKGE C[C@](F)(COc1c(Br)cc(CBr)cc1Br)C(F)(F)F 1876596859 HFTSLMLWTSLYIE-JTQLQIEISA-N 472.896 5.776 50 10 JKGE O=C(N[C@@H](CBr)[C@@H]1CC=CCC1)c1csc(Br)c1Br 1885064690 OKMHSODPPGWUHB-SCZZXKLOSA-N 472.040 5.123 50 10 JKGE O=C(c1cccc(I)c1)N(Cc1ccccc1)C1(CBr)CCC1 1915740781 ICEUPXLQWZEDNP-UHFFFAOYSA-N 484.175 5.251 50 10 JKGE Brc1cc(Br)c([C@H](Br)c2ccc3c(c2)OCCO3)s1 1922954001 JPJBAGHZDOGVOU-GFCCVEGCSA-N 468.992 5.529 50 10 JKGE CC(C)(C)O[C@H]1C[C@@H]([C@H](Cl)c2c(Br)sc(Br)c2Cl)C1 1923065834 HWQXJGFBMYCVKT-OOZYFLPDSA-N 451.051 6.800 50 10 JKGE COc1ccc([C@@H](Br)c2c(Br)sc(Br)c2Cl)c(F)c1 1923068300 PKWKRYDYACAKLG-SECBINFHSA-N 493.417 6.559 50 10 JKGE CCCC1CC([C@H](Cl)c2c(Br)sc(Br)c2Br)C1 1924568217 CZYYOGFEICFILN-QIMWKCOFSA-N 465.476 7.142 50 10 JKGE Cl[C@@H](c1c(Br)sc(Br)c1Br)[C@@H]1[C@H]2COC[C@H]21 1924605032 LLIFLAWZLMWJHL-ORKRIWSOSA-N 451.405 5.208 50 10 JKGE CCO[C@@H]1C[C@H]1[C@H](Cl)c1c(Br)sc(Br)c1Br 1924607477 VJGOFXFEBNEFEV-LRMHIPNDSA-N 453.421 5.741 50 10 JKGE C[C@]1([C@H](Br)c2c(Br)sc(Br)c2Br)CCOC1 1924614186 WZHSKMZDOXFUDK-XCBNKYQSSA-N 497.872 5.898 50 10 JKGE C[C@H]1Cc2cc(Br)cc([C@@H](Br)c3csnc3Br)c2O1 1925265108 VTNDZVICXIOFCY-UPONEAKYSA-N 468.008 5.476 50 10 JKGE CC(C)(C)OC1CC([C@@H](Br)c2c(Cl)sc(Br)c2Cl)C1 1925565831 HRQXKVKFITYVOI-QXUHLLMWSA-N 451.051 6.847 50 10 JKGE Cc1cc(C(=O)N(Cc2ccccc2)[C@H](CBr)C2CC2)c(Br)s1 1939962929 UROYSNODBDEUOV-MRXNPFEDSA-N 457.231 5.635 50 10 JKGE CC(C)(C)OC(=O)N[C@H](CBr)[C@@H]1CCC[C@H]1[C@H]1CCCCN1C(=O)OC(C)(C)C 1975072748 RYMXWBXRAHDROO-BRSBDYLESA-N 475.468 5.481 50 10 JKGE Clc1sc([C@@H](Cl)c2sc(Br)cc2Br)cc1Br 1981401647 MDQZSXVWXSANAG-SSDOTTSWSA-N 485.875 7.079 50 10 JKGE CCc1sc(Br)cc1[C@H](Cl)c1cccc(F)c1I 2030214103 VJUMJBQELGNCOT-GFCCVEGCSA-N 459.549 6.145 50 10 JKGE Cc1cc([C@H](Br)c2cc(Br)c(Cl)cc2F)c(Br)s1 2039500749 NBHSRPXISHTROP-LLVKDONJSA-N 477.418 6.858 50 10 JKGE CCc1nc([C@H](Cl)c2cc(Br)ccc2Br)c(Br)s1 2050333475 DWZUKDDJUQQLQK-SNVBAGLBSA-N 474.443 6.321 50 10 JKGE CC(C)(C)OC(=O)NCCSSCCNCc1ccc(Br)c(Cl)c1F 2061271251 WWYIOGSBBLDLMC-UHFFFAOYSA-N 473.861 5.237 50 10 JKGE CCC[C@H]1CC[C@H]([C@H](Br)c2cc(Br)sc2Br)CC1 2072705280 ZGTKJJJIYMJHQC-KWBADKCTSA-N 459.085 7.316 50 10 JKGE Fc1ccc([C@@H](Br)c2ccc(Br)cc2Br)c(Cl)c1 2083338673 NYWGAIXBMVBXQB-ZDUSSCGKSA-N 457.362 6.488 50 10 JKGE Cc1cc(Br)c([C@H](Br)[C@@H]2C[C@H]3O[C@H]2[C@H]2C[C@@H]23)cc1Br 2087775317 ARJCADOVIKTHOO-WBIXEGPCSA-N 450.996 5.379 50 10 JKGE CC(C)(COc1c(Br)cc(Br)cc1CBr)C(F)(F)F 2094193941 LUMSCGCUFQMOAJ-UHFFFAOYSA-N 468.933 6.074 50 10 JKGE Clc1ccc(I)c(CC[C@H](Br)CN2CCCCC2)c1 2099490765 RYOXRSHDUIQQCX-ZDUSSCGKSA-N 456.593 5.127 50 10 JKGE COc1ccc(Br)cc1[C@@H](Br)c1c(Br)sc(C)c1C 2101002768 FWSRIOWHXWCVCV-CYBMUJFWSA-N 469.036 6.383 50 10 JKGE COc1ccc(C)c([C@@H](Cl)c2c(Br)sc(Br)c2Br)c1 2109591087 RPIVDEVCDBIAPO-LLVKDONJSA-N 489.454 6.681 50 10 JKGE CC(C)(C)OC(=O)NCCCC[S@](C)(=O)=NCC1(CBr)CCCCCC1 2110302726 JNXHLCAFBPBNIH-SANMLTNESA-N 453.487 5.125 50 10 JKGE Brc1ccc(Br)c(CN2C[C@@H]3CCC[C@@H](Br)[C@H]3C2)c1 2118525557 VNTQLDTYUCVKTL-VZJVUDMVSA-N 452.028 5.207 50 10 JKGE Cn1ncc2cc([C@H](Br)c3cc(Br)ccc3Br)sc21 2118609253 NVPCARVFTXVYLK-GFCCVEGCSA-N 465.008 5.644 50 10 JKGE CC1(C)CC[C@H](Br)[C@@H](Cc2ccc(Br)cc2Br)CC1 2122926875 GKGWWVRKZQKSIW-OCCSQVGLSA-N 453.056 6.734 50 10 JKGE Cc1c(Br)sc([C@@H](Br)[C@@]2(C)CCCC(F)(F)C2)c1Br 2132121743 BQZHBDAJYAKNAU-PWSUYJOCSA-N 481.038 7.233 50 10 JKGE Cc1c(Br)ccc([C@@H](Br)C[C@@H]2CCCC2(F)F)c1Br 2138862545 GKMFCBYYFQHGRX-CABZTGNLSA-N 460.982 6.782 50 10 JKGE Cc1c(Br)ccc([C@H](Br)[C@@H]2CCCC(C)(C)C2)c1Br 2138869573 BBWUTFFWNKYDGZ-IAQYHMDHSA-N 453.056 7.172 50 10 JKGE COc1c(C)cc(Br)cc1[C@H](Br)c1cccc(OCc2ccccc2)c1 2141618659 ZUZNEKXCCAEMGU-OAQYLSRUSA-N 476.208 6.829 50 10 JKGE ClCc1ccc(Br)c(Cl)c1N1CCCN(Cc2ccccc2)CCOCC1 2154375053 CLIIAVUTLNOAGC-UHFFFAOYSA-N 472.254 5.570 50 10 JKGE Clc1sc(Br)c(Cl)c1[C@@H](Br)C1CC2(C1)CC1(CCC1)C2 2157161947 WRJAICRCFBADAF-JTQLQIEISA-N 459.074 7.614 50 10 JKGE O=C(NC[C@H]1CCCC[C@@H](Br)C1)c1cccc(Br)c1Br 2163752644 AWMKPNIPDZYXTB-WDEREUQCSA-N 468.027 5.285 50 10 JKGE ClCc1nc2cc(Cl)c(Br)cc2n1[C@@H]1CCCCN(Cc2ccccc2)C1 2169017521 OJDQXIAGWXIQEN-MRXNPFEDSA-N 467.238 6.418 50 10 JKGE Fc1cc(Br)cc(N2CCC3(CCN(Cc4ccccc4)C3)CC2)c1CCl 2170695254 MBJPPBGDUYBWNN-UHFFFAOYSA-N 451.811 5.820 50 10 JKGE Clc1sc([C@H](Cl)c2cc(Br)cc3c2OCCC3)cc1Br 2172560197 NWUDEZKPGKJIRQ-GFCCVEGCSA-N 457.014 6.580 50 10 JKGE COCCCCN(Cc1ccccc1)S(=O)(=O)c1cc(Cl)cc(CBr)c1C 2179862331 UXCWXLHNYQDKPD-UHFFFAOYSA-N 474.848 5.161 50 10 JKGE C[C@]1(CC(CBr)(CBr)c2cccc(Br)c2)CCCOC1 2192686823 KHEWVBQYVPSMBV-OAHLLOKOSA-N 469.055 5.684 50 10 JKGE CC1(C)CC([C@H](Br)c2c(Cl)sc(Br)c2Cl)CC(C)(C)C1 2193420225 LBUGDDGWMOWYAP-JTQLQIEISA-N 463.106 8.106 50 10 JKGE COc1cc(Cl)c([C@@H](Cl)c2ccc(Br)cc2Cl)cc1Br 2202342616 BAILGKJULVXDHH-AWEZNQCLSA-N 459.392 6.855 50 10 JKGE COc1c(C)cc(Br)cc1[C@@H](Br)c1cc(Br)ccc1C 2206599829 WIJUHOQRWOHPLU-HNNXBMFYSA-N 463.007 6.321 50 10 JKGE CO[C@@H]1CC[C@@H]1[C@@H](Cl)c1c(Br)sc(Br)c1Br 2211340293 QKQXTWIPRHBQOI-CPDSJTNBSA-N 453.421 5.741 50 10 JKGE Cl[C@@H]1CCCCC[C@@H]1c1sc(Br)c(Br)c1Br 2212200433 MPMUOHDZYSSFSD-NKWVEPMBSA-N 451.449 6.691 50 10 JKGE Cc1sc(C[C@H](Br)c2ccc(Br)cc2)c(C)c1Br 2218930788 GQYFRELAMNQEFJ-LBPRGKRZSA-N 453.037 6.569 50 10 JKGE CCCn1nc(Br)cc1C[C@H](Br)c1cccc(Br)c1 2224286688 GJAMKRFMIVDPMX-ZDUSSCGKSA-N 451.000 5.497 50 10 JKGE C[C@@H]1COCC[C@@H]1[C@@H](Br)c1c(Br)cc(Cl)c(Cl)c1Cl 2224301930 GCSKYZGQNZSBRA-PTZCXBDSSA-N 451.413 6.518 50 10 JKGE CCC(CC)(CC)[C@@H](Br)c1c(Br)cc(Cl)c(Cl)c1Cl 2224307870 QTVWQZUMWACICI-ZDUSSCGKSA-N 451.457 8.062 50 10 JKGE Cc1c(Br)csc1[C@@H](Cl)c1c(Br)cc(F)c(Cl)c1F 2226127679 YOTVTUVEJOMXSP-JTQLQIEISA-N 450.957 6.841 50 10 JKGE CCOCc1cc(Br)c([C@H](Br)c2c(C)cccc2Br)s1 2233023560 RRVNOTCSWYDZBS-CQSZACIVSA-N 483.063 6.602 50 10 JKGE Cc1cccc(C[C@H](Br)c2c(Br)cc(C)c(Br)c2C)c1 2235598989 JZLCLHGUCVPLKE-HNNXBMFYSA-N 461.035 6.816 50 10 JKGE Cc1cc(Br)c([C@@H](Cl)c2ccc(Cl)c(Cl)c2)c(C)c1Br 2235603541 JTGGOCXRMPTHDY-HNNXBMFYSA-N 457.420 7.463 50 10 JKGE CCCCc1ccc([C@H](Br)c2ccc(Br)cc2Br)s1 2264365375 UGXXGROIKVFAPW-OAHLLOKOSA-N 467.064 7.100 50 10 JKGE Cc1sc([C@H](Br)c2cc(Cl)c(C)c(Br)c2)c(Br)c1C 2264464250 UDJBYTGMMBYGBW-CYBMUJFWSA-N 487.482 7.336 50 10 JKGE CC1([C@@H](Cl)c2c(Br)sc(Br)c2Cl)CC(C(F)(F)F)C1 2264522445 ACGGNUNEXVSXEI-JGPKUNILSA-N 460.968 7.185 50 10 JKGE COc1c([C@@H](Br)c2ccsc2Br)cc(Br)c(C)c1C 2269112591 XXQRSBJAGHXJCG-LBPRGKRZSA-N 469.036 6.383 50 10 JKGE Cn1cc([C@@H](Cl)c2c(F)cc(Br)c(F)c2Br)nc1Br 2272856279 UZTCUPJXGVPMBY-SECBINFHSA-N 479.344 5.314 50 10 JKGE CC1(C)CCC[C@@]12[C@@H](Oc1cc(I)ccc1Cl)C[C@H]2Br 2288255997 LAOQNBUJFVLYJN-IJEWVQPXSA-N 469.588 6.056 50 10 JKGE Fc1cc(Br)c(F)c(Br)c1[C@@H](Cl)Cc1ccccc1Br 2288360618 YDCORQPFONXPOO-JTQLQIEISA-N 489.379 6.775 50 10 JKGE FC(F)(F)c1cscc1[C@H](Br)c1cc2sc(Br)cc2s1 2295511258 FSVJZWDZOTWFBV-NSHDSACASA-N 462.175 7.290 50 10 JKGE COc1cc(C=C(C#N)c2nc(-c3cccc(Br)c3)cs2)cc([N+](=O)[O-])c1O 2296223417 NVAKTOAPNOESSG-UHFFFAOYSA-N 458.293 5.259 50 10 JKGE COc1ccc(C[C@@H]2SC(=C(C#N)C(=O)Nc3ccc(C)cc3)N(c3ccccc3)C2=O)cc1 2296507174 XDTJMVHKVLZRLS-DEOSSOPVSA-N 469.566 5.069 50 10 JKGE O=C(NC(=CS)[P+](c1ccccc1)(c1ccccc1)c1ccccc1)c1ccc(Cl)cc1 2297497894 CUKHDFMDSIABME-UHFFFAOYSA-O 474.973 5.793 50 10 JKGE Cc1cc(C=C(C#N)C(=O)N2CCN(c3ccccc3)CC2)c(C)n1-c1ccc(Cl)c(Cl)c1 2313546055 ZLTIHNZMELUXIK-UHFFFAOYSA-N 479.411 5.657 50 10 JKGE N#CC(=Cc1cn(Cc2ccccc2Cl)c2ccccc12)C(=O)Nc1sc2c(c1C#N)CCCC2 2313630518 MTZOPWLAJXPUGN-UHFFFAOYSA-N 497.023 6.701 50 10 JKGE N#CC(=Cc1ccc(OCc2c(Cl)cccc2Cl)cc1)C(=O)Nc1cccc(Cl)c1 2313631913 YXDWEKMFIKHKET-UHFFFAOYSA-N 457.744 6.771 50 10 JKGE CC(C)[C@@H]1CCC[C@H]1[C@H](Br)c1ccc(OCc2ccccc2)cc1Br 2314444842 NCGSKNRCRVRNGL-JQVVWYNYSA-N 466.257 7.536 50 10 JKGE CC1(C)CCC([C@@H](Br)c2cc(Br)ccc2OCc2ccccc2)CC1 2314456626 YHYBNPKWQYWNOB-OAQYLSRUSA-N 466.257 7.681 50 10 JKGE CC[C@@H](C[C@@H](Br)c1cc(Br)ccc1OCc1ccccc1)C(C)(C)C 2314497913 OWAOEUUKBFSQJX-FXAWDEMLSA-N 468.273 7.927 50 10 JKGE Cc1cccc(NC(=O)C(C#N)=Cc2c(Oc3ccc(C)cc3C)nc3c(C)cccn3c2=O)c1 2314531688 CRCZLLGZBJLTMR-UHFFFAOYSA-N 464.525 5.266 50 10 JKGE CCOC(=O)c1c(NC(=O)C(C#N)=Cc2ccc(-c3cccc(Cl)c3)o2)sc2c1CC[C@@H](C)C2 2314572066 RULFWIPRIWFUJL-OAHLLOKOSA-N 495.000 6.509 50 10 JKGE CCCOc1ccccc1C=C(C#N)C(=O)Oc1ccc(C(=O)Nc2ccc(Cl)cc2)cc1 2314773891 IFZWVQSDRMUFLS-UHFFFAOYSA-N 460.917 5.894 50 10 JKGE COc1c(C)cc(Br)cc1[C@H](Br)c1cnsc1Br 2315644070 LSETUWHNKNFTBC-JTQLQIEISA-N 455.997 5.469 50 10 JKGE Fc1cc(Br)ccc1C[C@H](Cl)c1sc(Cl)cc1I 2316603364 URVAZUGQGRXHRB-QMMMGPOBSA-N 479.967 6.430 50 10 JKGE Cc1cc(Br)c(F)c(Br)c1[C@H](Br)C(F)(F)C1CC1 2317398499 CXLMXFGWLZMCRB-NSHDSACASA-N 450.918 6.140 50 10 JKGE C[C@]1(CBr)CCCCN1Cc1ccc(I)c(Br)c1 2325207279 OQOQACFWKQOUSF-CQSZACIVSA-N 487.017 5.193 50 10 JKGE COc1ccc(OC)c(-c2csc(C(C#N)=C(O)C=Cc3cc(OC)c(OC)c(OC)c3)n2)c1 2331325109 KLPVAOSLVSOYJC-UHFFFAOYSA-N 480.542 5.359 50 10 JKGE CC(C)(C)c1ccc(-c2csc(C(C#N)=C(O)C=Cc3ccc(Cl)c(Cl)c3)n2)cc1 2331331916 IIKFDUKAVGXSTM-UHFFFAOYSA-N 455.410 7.920 50 10 JKGE CCOc1ccc(CCC(O)=C(C#N)c2nc(-c3cccc4ccccc34)cs2)cc1OC 2331340068 QRHANSXUOYPLFT-UHFFFAOYSA-N 456.567 6.796 50 10 JKGE CCCCCCCOc1ccc(-c2csc(C(C#N)=C(O)c3ccc(Cl)cc3)n2)cc1 2331344646 CBVZPUMQBZWMHG-UHFFFAOYSA-N 453.007 7.763 50 10 JKGE COc1c(Cl)cc(Cl)cc1-c1csc(C(C#N)=C(O)Cc2cccc3ccccc23)n1 2331362360 AGOYCWPZIBWHTN-UHFFFAOYSA-N 467.377 7.314 50 10 JKGE COc1cc(Cl)c(C)cc1-c1csc(C(C#N)=C(O)COc2ccc(Cl)c(C)c2)n1 2331390634 VNKXNUSLJURAFY-UHFFFAOYSA-N 461.370 6.614 50 10 JKGE COc1ccc(-c2csc(C(C#N)=C(O)COc3c(C)ccc(C)c3C)n2)c(OC)c1OC 2331412788 HTZYAHLFEXJVRV-UHFFFAOYSA-N 466.559 5.633 50 10 JKGE COc1cc(C=C(C#N)c2nc(-c3cccc([N+](=O)[O-])c3)cs2)ccc1OC(=O)c1ccccc1 2331415990 DWLAICMFPNKFGV-UHFFFAOYSA-N 483.505 6.010 50 10 JKGE CCOc1cc(C=C(C#N)c2nc(-c3ccc(Cl)cc3)cs2)ccc1OCC(=O)N(CC)CC 2331440076 XRJOHGSROAJUMT-UHFFFAOYSA-N 496.032 6.174 50 10 JKGE CCCCCOc1ccc(C=C(C#N)c2nc(-c3cc(C)cc(C)c3OC)cs2)cc1OCC 2331468760 WLQKAFSSAUCGHO-UHFFFAOYSA-N 476.642 7.467 50 10 JKGE Brc1cc(OCc2ccccc2)ccc1[C@@H](Br)c1cc2c(s1)CCCC2 2336049645 FABPHJSJOSTDPA-JOCHJYFZSA-N 492.276 7.453 50 10 JKGE CC1([C@H](Br)c2c(Cl)cc(Br)c(F)c2Br)CCOCC1 2337085469 YPYTVRKMGPGPAR-GFCCVEGCSA-N 479.409 6.257 50 10 JKGE C[C@H]1CCCN(Cc2ccc(Cl)c(I)c2)[C@@H]1CCBr 2337224222 WMHRXMGPXRUIEU-XHDPSFHLSA-N 456.593 5.330 50 10 JKGE CC(C)(C)OC1CC(C[C@@H](Br)c2sc(Cl)cc2I)C1 2338557144 SJKDFKFFEJDCME-UDNWOFFPSA-N 477.633 6.426 50 10 JKGE COc1c(Br)cc(C)c([C@H](Br)[C@H]2COC[C@@H]2C)c1Br 2339653232 HKBBCPDPCMBSKX-HOTUBEGUSA-N 457.000 5.247 50 10 JKGE Cc1cc(Br)c(F)c(Br)c1[C@H](Br)[C@@H](C)[C@@H]1CCCO1 2339679718 OGEGCAQTWZLZIQ-PTOFAABTSA-N 458.991 5.910 50 10 JKGE COc1ccc(Br)c(CBr)c1OCc1nc(Br)cs1 2342918213 PBVDERVLNAULJL-UHFFFAOYSA-N 471.996 5.151 50 10 JKGE Clc1cc(Br)c(CC(CBr)(CBr)C2CCCCC2)s1 2345965952 NTBBDYCVMHDPDO-UHFFFAOYSA-N 493.530 7.063 50 10 JKGE C=CC[C@@]1(CBr)CCN(Cc2ccc(I)c(Br)c2)C1 2349828481 LKOADJJUSKWQEE-HNNXBMFYSA-N 499.028 5.217 50 10 JKGE Fc1cccc([C@@H](CBr)Cc2cc(I)ccc2Cl)c1 2352369287 CEHRQWYOLDNTEV-GFCCVEGCSA-N 453.520 5.805 50 10 JKGE Cc1cc(Br)c(F)c(Br)c1[C@H](Br)[C@H]1C[C@@H]1C1CCCC1 2365195030 XUXQPCQGBJWAJN-UHIISALHSA-N 469.030 6.921 50 10 JKGE CCCC1([C@@H](Br)c2c(C)cc(Br)c(OC)c2Br)CCC1 2365216021 QDBRMPFBAMOPKG-HNNXBMFYSA-N 469.055 6.935 50 10 JKGE F[C@@]12CCC[C@@]1(CBr)CN(Cc1cc(I)ccc1Cl)C2 2380514188 ZJOKIKXYIYHLIZ-HUUCEWRRSA-N 472.567 5.034 50 10 JKGE Cc1ccc(C[C@@H]2S/C(=C(C#N)\C(O)=N\c3ccc(F)cc3)N(c3ccc(C)cc3)C2=O)cc1 2408040 RBYJHADLRRXOCC-FYAMCCBRSA-N 471.557 6.157 50 10 JKGE O=C(NNc1nc(-c2ccccc2)c2cc(Br)ccc2n1)c1cc(Cl)cc(Cl)c1 11617178 JRVGOEGYCOWCJR-UHFFFAOYSA-N 488.172 6.123 50 10 JKGE CCOC(=O)c1c(C)[nH]c(C(=O)/C(C#N)=C/c2cn(-c3ccccc3)nc2-c2cccs2)c1C 14359124 XEQNBSGSHRAVAF-QGOAFFKASA-N 470.554 5.512 50 10 JKGE CCCOc1ccc(Br)cc1/C=C(/C#N)S(=O)(=O)c1ccc(Br)cc1 16050977 WZHZCONSHIOFTA-BOPFTXTBSA-N 485.197 5.339 50 10 JKGE CCOc1ccc(OCC(=O)Oc2ccc(/C=C(/C#N)c3ccccc3OC)cc2OC)cc1 31901978 FKONJMXLRURJNE-HKWRFOASSA-N 459.498 5.151 50 10 JKGE CCCCOc1ccc(/C=C\C(=O)Oc2ccc(/C=C(/C#N)C(=O)OCC)cc2OCC)cc1 33378285 RJQOBZKDNFHTOL-ALNLXFQPSA-N 463.530 5.353 50 10 JKGE COc1cccc2cc(-c3nn(-c4ccccc4)cc3/C=C(\C#N)C(=O)N[C@@H](C)c3ccccc3)oc12 33515897 VMHKMWWFQYUCTR-NGIIGVMLSA-N 488.547 6.078 50 10 JKGE CCCCCOc1ccccc1[C@@H]1C(C#N)=C(N)Oc2cc(OC(=O)c3ccc([N+](=O)[O-])cc3)ccc21 38686073 HOLIWAOPASZYAY-SANMLTNESA-N 499.523 5.601 50 10 JKGE COc1ccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4sc5ccccc5c4Cl)ccc32)cc1 38687360 SBTAHLYFVOPZCA-QFIPXVFZSA-N 488.952 6.001 50 10 JKGE Cc1ccc(C(=O)N/N=C2\CCCc3oc(C(=O)Oc4cccc5cccnc45)c(C)c32)cc1 40804766 LMELPXVCYZCTMP-ZTKZIYFRSA-N 453.498 5.134 50 10 JKGE C=C(C)c1cccc(C(C)(C)NC(=O)N/N=C/c2ccc(OCCCCCC)c(OC)c2)c1 40859186 IHOHLNWEUNTFGF-TURZUDJPSA-N 451.611 6.256 50 10 JKGE Cc1ccc(COc2ccc(C(=O)N/N=C/c3ccccc3OCc3ccc(Cl)cc3)cc2)cc1 48572094 SRUXIOWIRQPANV-FDAWAROLSA-N 484.983 6.570 50 10 JKGE N#C/C(=C/c1cc(Cl)ccc1OCc1ccc(Cl)cc1)C(=O)Nc1ccc(Cl)cc1 59116886 BOSDEERWCDPYDZ-BOPFTXTBSA-N 457.744 6.771 50 10 JKGE Cc1nn(Cc2ccccc2Cl)c(C)c1/C=N/NC(=O)[C@H](C)Oc1ccc(Cl)cc1Cl 59151394 VEMBAZSHIRIWGM-JYXARGHSSA-N 479.795 5.426 50 10 JKGE O=C(N/N=C/c1ccc(Sc2nc3ccccc3c(=O)n2-c2ccccc2)o1)c1cccc(F)c1 59386296 UZAPARHIMPJELQ-LQKURTRISA-N 484.512 5.033 50 10 JKGE Fc1cc([C@H](Br)Cc2ccc(Br)cc2)c(F)cc1Br 70474366 VFBSASLQAXIHGK-LLVKDONJSA-N 454.934 6.169 50 10 JKGE Fc1ccc([C@@H](Br)c2cc(F)c(Br)cc2F)c(Br)c1 70474424 QMFQEHYJPFNHEQ-CYBMUJFWSA-N 458.897 6.113 50 10 JKGE N#C/C(=C/Nc1ccccc1OC(F)(F)[C@@H](F)Cl)c1nc(-c2ccc(Cl)cc2)cs1 102421795 VUKLCTDMLNYOAW-QTJNJRLBSA-N 470.303 6.946 50 10 JKGE COC(=O)c1c(N/C=C(\C#N)c2nc(-c3cccc(OC)c3)cs2)sc(C(C)=O)c1C 102571787 QDJVBBMVRMADGI-XNTDXEJSSA-N 453.545 5.154 50 10 JKGE COc1c(Br)cc(Cl)cc1[C@H](Br)c1ccc(Cl)cc1Cl 109835984 HXWLALWNEQVDNI-CYBMUJFWSA-N 459.392 6.902 50 10 JKGE COc1cc(C)c(Br)cc1[C@@H](Br)c1ccccc1I 115070218 QTJOQOIAWXEJHJ-HNNXBMFYSA-N 495.980 5.855 50 10 JKGE COc1c(C)cc(Br)c(C)c1[C@@H](Br)c1ccc(C)cc1Br 125678355 KYVNWUFZCCOEIN-INIZCTEOSA-N 477.034 6.630 50 10 JKGE Clc1cc([C@H](Br)Cc2ccc(Br)cc2)sc1Br 127504991 PHLKGMBWGZEXJB-SECBINFHSA-N 459.428 6.605 50 10 JKGE Cl[C@@H](c1ccccc1)c1nnc(-c2cc(Br)c(Br)s2)s1 128604252 NMGSGOHDBGQFSH-JTQLQIEISA-N 450.608 6.120 50 10 JKGE Cc1cc(Br)c([C@@H](Br)C(C)(C)c2ccccc2)cc1Br 128736661 MHNLQEBQFIODIV-MRXNPFEDSA-N 461.035 6.934 50 10 JKGE Clc1cc([C@@H](Br)Cc2ccc(Br)cc2)ccc1Br 149048798 BARUTAPGLCTWIN-ZDUSSCGKSA-N 453.399 6.544 50 10 JKGE Cc1cc([C@H](Cl)c2ccc(I)c(Cl)c2)sc1Br 232344571 FOCKEZJYOGJBIU-LLVKDONJSA-N 461.977 6.405 50 10 JKGE O=[N+]([O-])c1ccc(C[C@H](Br)c2ccc(I)c(Cl)c2)cc1 232386340 WEGIHIJNRLBFMC-LBPRGKRZSA-N 466.500 5.532 50 10 JKGE 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 238736287 FPFAZZFTBDKRJL-CJEYNRMISA-N 496.688 6.212 50 10 JKGE COc1ccc(CC(=O)NN=C(C)c2cccc(NC(=O)c3ccc(Cl)cc3Cl)c2)cc1 254656150 FLLQGIHFTFVNFS-UHFFFAOYSA-N 470.356 5.337 50 10 JKGE COc1cccc([C@@H](Br)c2cc(Br)c(Br)s2)c1F 397455729 JVWKDVHGDLQJCU-SNVBAGLBSA-N 458.972 5.905 50 10 JKGE C[C@H]1C[C@H](n2c(CCCl)nc3cc(F)c(Br)cc32)CN1Cc1ccccc1 398233113 XQYMFZSZCUYYHE-HOCLYGCPSA-N 450.783 5.555 50 10 JKGE CO[C@@](C)(COCc1ccccc1)Cn1c(CCCl)nc2cccc(Br)c21 702791514 SEKJEQBDHILLEZ-OAQYLSRUSA-N 451.792 5.202 50 10 JKGE Clc1cscc1[C@@H](Br)c1cc(Br)c(Br)s1 711552502 RXHSVLNEVRSQMV-MRVPVSSYSA-N 451.430 6.472 50 10 JKGE FC(F)(F)c1cscc1[C@@H](Br)c1cc(Br)sc1Br 717211058 HXWDQYYOXTXMDZ-QMMMGPOBSA-N 484.982 6.838 50 10 JKGE C=CCc1cc(C=NNC(=O)CC[C@H](O)c2ccc(OCC)cc2)ccc1OCc1ccccc1F 1084333723 PUZFBMGEFKPHJM-MHZLTWQESA-N 490.575 5.496 50 10 JKGE O=C(COc1ccc(Br)cc1Cl)NN=Cc1cccc(OCc2ccccc2)c1 1084545177 IFPKBMYGSNNKEF-UHFFFAOYSA-N 473.754 5.211 50 10 JKGE COc1ccc(/C=C\C(=NNC(=O)C(O)(c2ccccc2)c2ccccc2)c2ccc(OC)cc2)cc1 1084549544 QLPSPVBRMMCKIP-SOFXCRNCSA-N 492.575 5.174 50 10 JKGE COc1cc(/C=C(/C#N)C(=O)Nc2cc([N+](=O)[O-])ccc2Cl)ccc1OCc1ccc(Cl)cc1 1084551651 YETYHVNJMCRNOT-YVLHZVERSA-N 498.322 6.035 50 10 JKGE O=C(Nc1ccc(OC(F)(F)F)cc1)N(CCc1ccccc1[N+](=O)[O-])/N=C/c1cccc(F)c1 1615950222 SXBIKTFBCVKBSF-RWPZCVJISA-N 490.413 5.743 50 10 JKGE Cc1c(C(=O)N(C)c2ccccc2)oc2c1C(=NNC(=O)c1ccc(Br)cc1)CCC2 1772744475 YBLNLGLLACZQBO-UHFFFAOYSA-N 480.362 5.098 50 10 JKGE CCOc1ccccc1NC(=O)c1oc2c(c1C)C(=NNC(=O)c1cccc(Cl)c1)CCC2 1772745757 GNQSAOKSNOGSPK-UHFFFAOYSA-N 465.937 5.363 50 10 JKGE CCCCCCOc1ccc(C=NNC(=O)COc2ccc(-c3ccccc3)cc2)cc1OC 1772754015 BBHRHVSZELIUIJ-UHFFFAOYSA-N 460.574 5.850 50 10 JKGE CCCc1nn(Cc2ccc(Cl)c(Cl)c2)c2c1[C@@H](c1ccc(O)c(OCC)c1)C(C#N)=C(N)O2 1865681693 UCLJDBNPIDCMFT-QFIPXVFZSA-N 499.398 5.513 50 10 JKGE CCc1nn(Cc2ccc(F)cc2)c2c1[C@H](c1ccc(OCc3ccccc3)cc1)C(C#N)=C(N)O2 1865689476 AIDXIXWRNXPIQI-AREMUKBSSA-N 480.543 5.430 50 10 JKGE COc1ccc(-c2nn(Cc3ccccc3Cl)c3c2[C@H](c2sccc2C)C(C#N)=C(N)O3)cc1 1865698923 GGBOCUZINPSGJO-OAQYLSRUSA-N 489.000 5.849 50 10 JKGE Cc1ccc(C)c(Cn2nc(C(F)(F)F)c3c2OC(N)=C(C#N)[C@@H]3c2cn(C)c3ccccc23)c1 1865699345 RFFNQYXUNMQAQI-OAQYLSRUSA-N 477.490 5.277 50 10 JKGE COc1ccccc1[C@H]1C(C#N)=C(N)Oc2c1c(-c1ccccc1)nn2-c1ccc(Br)cc1 1865710181 QEYHFPMUEMEBLL-QFIPXVFZSA-N 499.368 5.529 50 10 JKGE COc1ccc(-c2nn(Cc3ccc(Cl)c(Cl)c3)c3c2[C@@H](c2ccc[nH]2)C(C#N)=C(N)O3)cc1 1865710323 VHKCTORGSAOXLA-OAQYLSRUSA-N 492.366 5.460 50 10 JKGE COc1ccc2c(c1)C[C@H](C)CN2c1cc(Nc2ccc(SC#N)cc2)nc(C(C)(C)C)n1 1868342281 QAAWHTVBEVWUCS-KRWDZBQOSA-N 459.619 6.430 50 10 JKGE Cc1ccc(-c2csc(/C(C#N)=C(\O)CCCN3C(=O)c4ccc([N+](=O)[O-])cc4C3=O)n2)c(C)c1 1872748636 GPZXQWIKLAICIA-XDOYNYLZSA-N 488.525 5.204 50 10 JKGE COc1ccc(C(C)(C)C)cc1-c1csc(/C(C#N)=C(\O)c2cccc(Oc3ccccc3)c2)n1 1872751893 YEOKVAGMFLSCTR-PNHLSOANSA-N 482.605 7.858 50 10 JKGE Cc1cc(C)c(C)c(-c2csc(/C(C#N)=C(\O)[C@@H](C)Oc3ccc(Cl)cc3Cl)n2)c1C 1872754209 IJDAOPVEZKEENN-PDNPPFGYSA-N 473.425 7.611 50 10 JKGE COc1cc(OC)c(-c2csc(/C(C#N)=C(\O)[C@H]3CC(=O)N(Cc4ccccc4)C3)n2)cc1Cl 1872756763 ZUHJEZXZFXNWQN-YKTMHCBJSA-N 495.988 5.322 50 10 JKGE Cc1ccc(COc2ccc(/C=C(\C#N)c3nc(-c4ccc(C(C)C)cc4)cs3)cc2)cc1 1872791222 CGPLLDYNLYJLBC-WGOQTCKBSA-N 450.607 7.885 50 10 JKGE CCCC1CCC([C@@H](Cl)c2c(Br)sc(Br)c2Br)CC1 1878039057 KVQUDTQDTPYUIQ-SHVIVCPWSA-N 493.530 7.922 50 10 JKGE CC1(C)[C@H](OCc2ccccc2)C[C@H]1n1c(CCl)nc2c(Br)cc(F)cc21 1912665071 RUCZPWNIYPNARO-QZTJIDSGSA-N 451.767 6.233 50 10 JKGE CC[C@@H](Br)CN(Cc1ccccc1)S(=O)(=O)c1cc(C)c(Br)s1 1915073163 CCPISQYXXHKJOZ-CQSZACIVSA-N 481.275 5.183 50 10 JKGE Cc1cc(S(=O)(=O)N(Cc2ccccc2)[C@@H](CBr)C(C)C)sc1Cl 1915291697 RCOUBQFVRPRLRT-HNNXBMFYSA-N 450.851 5.320 50 10 JKGE O=S(=O)(c1ccc(F)cc1Br)N(Cc1ccccc1)C1(CBr)CCC1 1915756555 KJFKWZCEUBWEMJ-UHFFFAOYSA-N 491.220 5.097 50 10 JKGE C[C@H](C1CCC1)[C@@H](Br)c1c(Br)sc(Br)c1Cl 1923038711 KDEFXLAKRWPPHU-SVGQVSJJSA-N 451.449 6.799 50 10 JKGE Brc1sc(Br)c([C@H](Br)C2CCOCC2)c1Br 1924579846 KYVLFAKCUGAJSA-SSDOTTSWSA-N 497.872 5.898 50 10 JKGE C[C@@H]1OCC[C@H]1[C@@H](Cl)c1c(Br)sc(Br)c1Br 1924579941 MAYNOZROLISDML-CPDSJTNBSA-N 453.421 5.741 50 10 JKGE Fc1ccccc1C[C@@H](Cl)c1c(Br)sc(Br)c1Br 1924586559 ZFOUKKCEXFYMSB-SSDOTTSWSA-N 477.418 6.697 50 10 JKGE FC(F)(F)c1csc([C@H](Br)c2csnc2Br)c1Br 1925249011 VLHHYAURWLYCHC-RXMQYKEDSA-N 485.970 6.233 50 10 JKGE Clc1sc(Br)c(Cl)c1[C@H](Br)C12CC3CC(CC(C3)C1)C2 1925598322 IQHRFGZVYAKDHB-KRCHHAKFSA-N 459.074 7.470 50 10 JKGE O=C(N[C@@H](CBr)CC1CCCCC1)c1cc(Br)c(Br)s1 1926774521 CVFZEZIEEIBHQW-SNVBAGLBSA-N 488.083 5.737 50 10 JKGE Clc1c(Br)ccc(CBr)c1N1CC[C@H](COCc2ccccc2)C1 1948735002 JXFXHUPYFTULMA-HNNXBMFYSA-N 473.636 6.041 50 10 JKGE Cc1c(Br)sc([C@H](Cl)c2cc(Br)sn2)c1Br 1983288406 BGHNGUZXFILTSN-SSDOTTSWSA-N 466.445 6.129 50 10 JKGE FCCC1([C@@H](Br)c2c(Br)sc(Br)c2Cl)CC1 1990544638 DEJVAZPGMWHBQG-ZETCQYMHSA-N 455.412 6.502 50 10 JKGE Clc1c(Br)ccc(CBr)c1N1CCC[C@H](OCc2ccccc2)C1 2013490136 DETFKNPJGHWTMV-INIZCTEOSA-N 473.636 6.183 50 10 JKGE Cc1cc([C@@H](Cl)c2sc(Cl)cc2Br)ccc1I 2026130895 NFZTVJDKGDRYPW-LLVKDONJSA-N 461.977 6.405 50 10 JKGE COCC1([C@H](Br)c2cc(Br)c(Br)s2)CCCCC1 2033179041 HRDOFUQFHPAQFT-LLVKDONJSA-N 461.057 6.306 50 10 JKGE CC[C@H]1CN(C[C@@H](CBr)CC2CC2)[C@H](CC)CN1C(=O)OCc1ccccc1 2050057435 PDJZUPXDSCKDAD-VSKRKVRLSA-N 451.449 5.309 50 10 JKGE Fc1cc(Br)cc(N2C[C@H]3CN(Cc4ccccc4)C[C@@H]3C2)c1CBr 2051133062 KZILPRVHUOOGJK-HZPDHXFCSA-N 468.208 5.051 50 10 JKGE CC1(C)C[C@@H](n2c(CCl)nc3cc(I)ccc32)[C@@H]1OCc1ccccc1 2100142493 OHSQMYPFSYTFDK-QUCCMNQESA-N 480.777 5.936 50 10 JKGE Cc1ccc(Br)c(F)c1C[C@@H](Br)c1cccc(Br)c1 2113487783 VCHJIUXLWWNVGN-CQSZACIVSA-N 450.971 6.338 50 10 JKGE Cn1cc([C@H](Br)c2cc(Cl)c(Cl)c(Cl)c2Cl)c(Br)n1 2116551095 CHZDSKIRUIADGF-SSDOTTSWSA-N 467.803 6.281 50 10 JKGE Clc1cc(C[C@@]2(CBr)CCO[C@H]2C2CC2)ccc1I 2142941601 WUVVZKNKKGXGMG-LSDHHAIUSA-N 455.561 5.067 50 10 JKGE FC1(F)CO[C@H](CC(CBr)(CBr)c2cccc(Br)c2)C1 2144786814 CDLUSIUPKSUUJV-GFCCVEGCSA-N 476.981 5.291 50 10 JKGE Cc1cc([C@@H](Br)c2cc(Br)c3c(c2)C[C@H](C)O3)sc1Br 2146630362 WJTDRCNCXUYTPD-SDBXPKJASA-N 481.047 6.389 50 10 JKGE Cc1cc(Br)c([C@@H](Br)c2cc3c(s2)CCOC3)cc1Br 2159483666 QMMRCOZZBOBMDQ-OAHLLOKOSA-N 481.047 6.139 50 10 JKGE COc1ccc(C[C@@H](Cl)c2c(Br)sc(Br)c2Cl)cc1F 2168413453 RQABETFNHWWCSG-SSDOTTSWSA-N 462.993 6.597 50 10 JKGE C[C@H]1CN(C(=O)c2cc(Br)ccc2Br)CC[C@@H]1CCBr 2172479334 ZMDKUGXXPIZWGM-QWRGUYRKSA-N 468.027 5.095 50 10 JKGE F[C@]12CCC[C@]1(CBr)CN(Cc1ccc(Br)cc1Br)C2 2176636630 PSDDQXLSNJYQOG-GJZGRUSLSA-N 470.018 5.301 50 10 JKGE O=S(=O)(c1ccc(F)c(CBr)c1F)N(Cc1ccccc1)Cc1cccs1 2179859270 AYDSMGBMTMUQPY-UHFFFAOYSA-N 472.376 5.312 50 10 JKGE COc1cc(C)c([C@@H](Cl)c2ccc(Br)cc2Br)cc1Br 2198732774 NHGDIJIMYHZNRD-HNNXBMFYSA-N 483.425 6.619 50 10 JKGE Cc1cc(Br)c([C@@H](Br)C2(Br)CCC2)c(C)c1Br 2214650735 DYEUWLNFJZDCNI-GFCCVEGCSA-N 489.871 6.582 50 10 JKGE Fc1ccc([C@H](Br)c2csc(Br)c2Br)c(F)c1F 2218852653 YTCZPOXBCKJNNB-ZETCQYMHSA-N 464.926 6.175 50 10 JKGE Cn1ncc([C@@H](Br)Cc2ccc(Br)cc2Cl)c1Br 2221699639 KKCQVFWMMIBILX-JTQLQIEISA-N 457.391 5.277 50 10 JKGE Fc1cc(Br)c(Br)cc1[C@H](Br)[C@@H]1CC12CC(F)(F)C2 2225616216 DKYDODPNYPUYTF-CPCISQLKSA-N 462.929 6.222 50 10 JKGE COc1ccc(Br)c(CBr)c1OCc1coc(Br)c1 2227744244 GKAHEVDDQGSIRY-UHFFFAOYSA-N 454.940 5.287 50 10 JKGE C[C@H](c1ccccc1)[C@H](Br)c1c(Br)cc(Cl)c(Cl)c1Cl 2232513673 RQBOIRWDHXUQCW-OQPBUACISA-N 457.420 7.649 50 10 JKGE Clc1ccc([C@H](Cl)c2c(Br)cc(Cl)c(Cl)c2Cl)c(Cl)c1 2232514676 WHUFMKGGBMEMNT-NSHDSACASA-N 453.805 8.044 50 10 JKGE Cc1cc(Br)ccc1[C@@H](Br)c1c(Br)cc(C)c(Cl)c1C 2232529277 LJPOJPKLYQKFIF-OAHLLOKOSA-N 481.453 7.275 50 10 JKGE Cc1cc(Br)c([C@H](Br)[C@@H]2C(F)(F)C23CCC3)c(C)c1Br 2235614107 FDPOJIVEUJUESR-STQMWFEESA-N 472.993 6.700 50 10 JKGE Cc1cc(Cl)c(Cl)cc1[C@H](Br)c1cc(I)sn1 2246345529 MLJPIAIJRUDNBG-NSHDSACASA-N 462.965 5.847 50 10 JKGE Clc1sccc1[C@H](Br)Cc1cc(Br)cc(Br)c1 2252829628 KYSNSUQMIJESAL-LLVKDONJSA-N 459.428 6.605 50 10 JKGE Cl[C@@H](Cc1cc(Br)cc(Br)c1)c1ncsc1Br 2252838053 YNARNFXXDMMTDT-VIFPVBQESA-N 460.416 5.953 50 10 JKGE Brc1cocc1[C@@H](Br)c1csc2c(Br)cccc12 2258146719 UIYKGNPNLIXNTN-GFCCVEGCSA-N 450.977 6.504 50 10 JKGE COc1cc(C[C@H](Br)c2ccc(Br)cc2)sc1Br 2263740767 LFAOUMQMNUBQNO-NSHDSACASA-N 455.009 5.960 50 10 JKGE COc1ccc([C@H](Br)c2ccc(Br)cc2F)cc1I 2269549854 YQEJQTCIYRJILR-AWEZNQCLSA-N 499.943 5.686 50 10 JKGE Cc1sc([C@H](Br)c2cc(Br)c(F)cc2Cl)c(Br)c1C 2270460618 GLLXLSUBAHPMOB-GFCCVEGCSA-N 491.445 7.167 50 10 JKGE Brc1cc(Br)cc(C[C@H](Br)[C@@H]2CCCC3(CC3)C2)c1 2277958895 MEOUOIJZVZWSNQ-DOMZBBRYSA-N 451.040 6.488 50 10 JKGE Cc1cc(OCc2ccc(Br)cc2Br)cc(C)c1CBr 2282778314 PGXUFOOWHHJEOJ-UHFFFAOYSA-N 463.007 6.302 50 10 JKGE COc1ccc([C@H](Br)c2sc(Cl)cc2Br)c(Cl)c1OC 2283450033 AEWIHKWVEHIMEC-JTQLQIEISA-N 461.002 6.319 50 10 JKGE Cc1cc(F)cc([C@H](Br)c2c(F)cc(Br)c(F)c2Br)c1 2288493292 QOFUJYBQSPQDEH-LBPRGKRZSA-N 472.924 6.422 50 10 JKGE COc1cc(Cl)c([C@@H](Cl)c2csc(Br)c2Br)c(OC)c1 2294894623 JHEWUYZIXSSJFR-LBPRGKRZSA-N 461.002 6.272 50 10 JKGE COc1ccc(-c2nn(Cc3ccccc3)cc2C=C(C#N)C(=O)Nc2ccc(OC)cc2OC)cc1 2295353412 STVHDDDFPJFVDL-UHFFFAOYSA-N 494.551 5.170 50 10 JKGE Cc1cc(Br)ccc1NC=C(C#N)c1nc(-c2ccc(Cl)c(Cl)c2)cs1 2296800703 OXKFAQKOJOYMIH-UHFFFAOYSA-N 465.203 7.164 50 10 JKGE COc1cc(C=C(C#N)c2ccc(Cl)cc2)ccc1OC(=O)c1cc2ccccc2oc1=O 2297300799 DHVDFWCWCWIGJF-UHFFFAOYSA-N 457.869 5.738 50 10 JKGE COc1cc(C=C(C#N)c2ccc(C#N)cc2)cc(I)c1OCc1ccccc1 2297371643 VKVOBLUOPJOZOD-UHFFFAOYSA-N 492.316 5.815 50 10 JKGE CCOc1ccc(NC(=O)C(C#N)=Cc2c(C)n(Cc3ccccc3Cl)c3ccccc23)cc1 2297455689 KYWJPSIPEOPOSS-UHFFFAOYSA-N 469.972 6.596 50 10 JKGE Brc1ccc(OCc2ccccc2)c([C@H](Br)[C@H]2[C@H]3COCC[C@H]32)c1 2299489695 RNMSNLQXHRHQLT-VUBSUSDNSA-N 452.186 5.747 50 10 JKGE CCc1occc1[C@@H](Br)c1ccc(OCc2ccccc2)cc1Br 2299492049 BPWXBIMHLYNKPT-FQEVSTJZSA-N 450.170 6.668 50 10 JKGE C[C@@H]1OCC[C@H]1C[C@@H](Br)c1cc(Br)ccc1OCc1ccccc1 2299505551 XTKAALBDUGBOLY-URLQWDBASA-N 454.202 6.279 50 10 JKGE Cc1scc([C@@H](Cl)c2ccc(Br)cc2Br)c1Br 2303644764 VAIOLOZOESHEJM-LBPRGKRZSA-N 459.428 6.672 50 10 JKGE N#CC(=Cc1cn(Cc2ccc(Cl)cc2)c2ccccc12)C(=O)Nc1sc2c(c1C#N)CCCC2 2313630231 ASAVVKWEGOYIFM-UHFFFAOYSA-N 497.023 6.701 50 10 JKGE N#CC(=Cc1cc(Br)ccc1OCc1cccc(F)c1)C(=O)Nc1ccccc1 2313630317 FVOKUSRSVFKXOR-UHFFFAOYSA-N 451.295 5.713 50 10 JKGE N#CC(=Cc1ccc(-c2cccc(Cl)c2Cl)o1)C(=O)Nc1cccc(C(F)(F)F)c1 2314482834 XHKCEHRGEFIYGQ-UHFFFAOYSA-N 451.231 6.818 50 10 JKGE Fc1cccc([C@H](Br)c2cc(Br)ccc2OCc2ccccc2)c1F 2314490264 MZJFLCMTXFGULN-IBGZPJMESA-N 468.135 6.791 50 10 JKGE Cn1nc(Br)c(Br)c1[C@@H](Br)Cc1ccc(Cl)cc1 2316702027 UVHKSSIGJUSPNV-VIFPVBQESA-N 457.391 5.277 50 10 JKGE C[C@H](NC(=O)C(C#N)=CNc1cc(C(F)(F)F)cc(C(F)(F)F)c1)c1ccc2c(c1)CCCC2 2318462615 MAXHBZYSQHGQOA-AWEZNQCLSA-N 481.440 6.300 50 10 JKGE Cc1cc(Br)c([C@@H](Br)[C@]23COC[C@H]2C3(F)F)cc1Br 2329451679 JTBUHFJQADUTPX-UTUOFQBUSA-N 460.938 5.238 50 10 JKGE CCOc1ccc(-c2csc(C(C#N)=C(O)[C@H](C(C)C)N3C(=O)c4ccccc4C3=O)n2)cc1 2331305233 GFINDLKXGSUQKQ-QFIPXVFZSA-N 473.554 5.322 50 10 JKGE C[C@@H](Oc1ccc(Cl)cc1Cl)C(O)=C(C#N)c1nc(-c2ccc(Cl)c(Cl)c2)cs1 2331311872 HSNRFOZXZJSTEH-SNVBAGLBSA-N 486.207 7.684 50 10 JKGE COc1ccc(C(C)(C)C)cc1-c1csc(C(C#N)=C(O)C=Cc2ccc(C(C)C)cc2)n1 2331350761 RHVNMCRLXGTGOV-UHFFFAOYSA-N 458.627 7.746 50 10 JKGE CCc1cccc(C)c1N1C[C@H](C(O)=C(C#N)c2nc(-c3ccc(Cl)s3)cs2)CC1=O 2331401996 CHSJFXMKGCKFIL-OAHLLOKOSA-N 470.019 6.242 50 10 JKGE N#CC(=C(O)c1ccccc1I)c1nc(-c2ccc(Cl)s2)cs1 2331402252 FPXUAEACRXWXAI-UHFFFAOYSA-N 470.744 6.079 50 10 JKGE COc1ccc(Cl)cc1-c1csc(C(C#N)=C(O)[C@@H]2CC(=O)N([C@H](C)c3ccccc3)C2)n1 2331410848 KSSMUMMATGIJLR-NVXWUHKLSA-N 479.989 5.874 50 10 JKGE CCOc1ccc(CCC(O)=C(C#N)c2nc(-c3ccc(OC)c(OC)c3OC)cs2)cc1OC 2331413570 AZGPSKZPIREBJP-UHFFFAOYSA-N 496.585 5.669 50 10 JKGE CCCCc1ccc(-c2csc(C(C#N)=Cc3cccc(OC)c3OCc3cccc(C)c3)n2)cc1 2331430183 ROIIEKNZYRQHDY-UHFFFAOYSA-N 494.660 8.113 50 10 JKGE CCCCCCCOc1ccc(-c2csc(C(C#N)=Cc3ccc4c(c3)OCCO4)n2)cc1 2331460661 QXTRZIIAGMEEGL-UHFFFAOYSA-N 460.599 6.995 50 10 JKGE Brc1ccc(OCc2ccccc2)c([C@@H](Br)[C@H]2COc3ccccc32)c1 2336046125 BJSSYDZFAICHDF-SIKLNZKXSA-N 474.192 6.640 50 10 JKGE Fc1cc(Br)ccc1C[C@H](Cl)c1ccc(OCc2ccccc2)cc1Br 2336053255 IDRHBYAPGSVQOS-FQEVSTJZSA-N 498.617 7.452 50 10 JKGE CCCc1sc(Br)cc1[C@H](Br)c1cc(Cl)cc(Br)c1 2338020134 IWLMUPSVOGCQTE-CQSZACIVSA-N 487.482 7.363 50 10 JKGE CCC(CC)CCC(CBr)(CBr)c1ccccc1Br 2338164848 RBAGUQLCQAYZQJ-UHFFFAOYSA-N 455.072 6.693 50 10 JKGE Cc1cc(Br)c(F)c(Br)c1[C@H](Br)C[C@@H](C)C(F)(F)F 2339651229 NOVHUYYMFFEYQI-RNFRBKRXSA-N 470.924 6.684 50 10 JKGE Cc1cc(Br)c(F)c(Br)c1[C@H](Br)[C@@H]1C(C)(C)C1(F)F 2339653359 IPOVRVDFIYRRID-GXSJLCMTSA-N 464.945 6.386 50 10 JKGE CC1(C)CCCN(Cc2ccc(I)c(Br)c2)[C@H]1CCl 2349838277 VRADPNBENNEGNA-AWEZNQCLSA-N 456.593 5.283 50 10 JKGE Clc1ccc(I)cc1C[C@]1(CBr)CC12CCCCC2 2352417167 GAKVHAUJSNWUGM-MRXNPFEDSA-N 453.589 6.223 50 10 JKGE C[C@@H](Br)C[C@H]1CCCCN1Cc1cc(I)ccc1Cl 2352417671 MFHDYPXUWQVCQS-BXUZGUMPSA-N 456.593 5.473 50 10 JKGE C[C@H]1[C@H](Br)C[C@H]2CC[C@H]1N2Cc1cc(I)ccc1Cl 2352423732 KHSJFSNXTLIUMI-XRFFLINXSA-N 454.577 5.081 50 10 JKGE Brc1ccc(OCc2ccccc2)c([C@@H](Br)C23CC4CC(CC(C4)C2)C3)c1 2361179159 UDISFYIATBVZPB-HGJSICKSSA-N 490.279 7.681 50 10 JKGE CSc1ccccc1[C@@H](Cl)c1c(Cl)cc(Br)c(F)c1Br 2362224573 MDYCGQHXCUBHDL-CYBMUJFWSA-N 459.005 7.054 50 10 JKGE C[C@]1([C@H](Cl)c2c(Cl)cc(Br)c(F)c2Br)CCCC1(F)F 2362231426 FNYZCORZGOADPB-VXGBXAGGSA-N 454.939 7.110 50 10 JKGE FC(F)(F)Oc1cccc([C@@H](Cl)c2sc(Cl)cc2I)c1 2363890372 AGEIALUURBABLY-SNVBAGLBSA-N 453.050 6.233 50 10 JKGE Cc1cccc(C[C@H](Br)c2c(C)cc(Br)c(F)c2Br)c1 2365214951 FTWAUCMIBHAJSY-LBPRGKRZSA-N 464.998 6.646 50 10 JKGE Clc1ccc([C@H](Br)c2ccc([C@@H]3CCOC3)s2)c(I)c1 2365594847 CLVRXONWDCAVOX-PSLIRLAXSA-N 483.596 5.994 50 10 JKGE COc1cc([C@@H](Br)c2csc3c(Br)cccc23)sc1Cl 2365828873 JRPYYRLJNLZJTO-LBPRGKRZSA-N 452.620 6.872 50 10 JKGE COc1cc([C@@H](Br)c2c(Br)cc(Cl)c(Cl)c2Cl)sc1Cl 2365841127 TYJAVHUVTKUWFX-SECBINFHSA-N 499.866 7.617 50 10 JKGE Fc1cc(Cl)c([C@H](Br)c2cc(Cl)c(Br)cc2F)c(Cl)c1 2366404102 YGTTYYLUEJAWSB-CYBMUJFWSA-N 465.346 7.172 50 10 JKGE CC(C)(C)OC(=O)N1CCC[C@](CI)(OCc2cccc(C3CCC3)c2)C1 2369868921 CHBBZBVGQAFPAD-JOCHJYFZSA-N 485.406 5.675 50 10 JKGE Cc1ccc(C[C@@H]2S/C(=C(\C#N)C(=O)Nc3ccccc3)N(c3ccc(C)cc3)C2=O)cc1 1887965 RKDWDPHLCUUFOK-BSSRNLCFSA-N 453.567 5.368 50 10 JKGE O=C(COc1ccc(OCc2ccccc2)cc1)N/N=C/c1c[nH]c2ccc(Br)cc12 3079830 OBEPJXOOTRMPGB-MZJWZYIUSA-N 478.346 5.039 50 10 JKGE CCCCCCOc1ccc(C(=O)NNC(=O)COc2ccc3ccccc3c2)cc1Br 14640696 MWPWQGGEFXRWIF-UHFFFAOYSA-N 499.405 5.401 50 10 JKGE CCCCCCOc1ccc(C(=O)NNC(=O)c2cc(Br)ccc2OCCCC)cc1 14649886 DXVGNAVFDVXORK-UHFFFAOYSA-N 491.426 5.662 50 10 JKGE Cc1cc([C@@H]2C(C#N)=C(N)N(c3ccc([N+](=O)[O-])cc3)C3=C2C(=O)C[C@@H](c2ccccc2)C3)c(C)s1 27550717 PXPBCEADYHOYNE-AFMDSPMNSA-N 496.592 5.972 50 10 JKGE COc1cccc2cc(-c3nn(-c4ccccc4)cc3/C=C(\C#N)c3nc4ccccc4n3C)oc12 33515862 CPWCKSUCYDTXSX-HMMYKYKNSA-N 471.520 6.245 50 10 JKGE CCOC(=O)c1c(-c2ccccc2)nc(CBr)c(C(=O)OC)c1-c1ccc([N+](=O)[O-])cc1 35576556 OBWVQSOJVYEIDN-UHFFFAOYSA-N 499.317 5.182 50 10 JKGE Cc1cccc(-c2nc(C)c(Cc3ccccc3)c(N3CCN(C(=O)C(C)(C)CCl)CC3)n2)c1 35889839 LURFFUWMXUGVAI-UHFFFAOYSA-N 477.052 5.265 50 10 JKGE COc1cc(CBr)cc(Br)c1OCc1c(Cl)cccc1Cl 36815529 PEXURTGOUNZTDV-UHFFFAOYSA-N 454.973 6.238 50 10 JKGE Cc1ccc(C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@@H]3c2cccc(Br)c2)cc1 38651441 NQZJXMPJHUBYFM-JOCHJYFZSA-N 461.315 5.195 50 10 JKGE Cc1cccc(C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@@H]3c2ccc(Cl)cc2Cl)c1 38655107 YCIRWTZYBNPFDE-JOCHJYFZSA-N 451.309 5.739 50 10 JKGE CCCCOc1cccc(C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@@H]3c2ccc(C(=O)OC)cc2)c1 38683611 FKACQFSSZUFOQQ-AREMUKBSSA-N 498.535 5.089 50 10 JKGE CCOc1cc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4ccco4)ccc32)ccc1OCCC(C)C 38684349 PGGGQQUYGAQTOA-SANMLTNESA-N 488.540 5.541 50 10 JKGE CCCOc1cccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4cccc5ccccc45)ccc32)c1 38684454 XVKQPHHVJCXLNR-MUUNZHRXSA-N 476.532 6.066 50 10 JKGE C=CCOc1cccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)COc4ccc(CC)cc4)ccc32)c1 38684593 OXLRMRDJAOWHDN-MUUNZHRXSA-N 482.536 5.016 50 10 JKGE C=CCOc1cccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4ccc(OCC)cc4)ccc32)c1 40529848 NBUMOJHZXWYCSA-AREMUKBSSA-N 468.509 5.087 50 10 JKGE Cc1c(C(=O)Oc2cccc3ccccc23)oc2c1/C(=N/NC(=O)c1cccc([N+](=O)[O-])c1)CCC2 40813072 YMRVPRMDLGZTOM-SGWCAAJKSA-N 483.480 5.339 50 10 JKGE COc1cc(/C=C(\C#N)C(=O)NCc2ccccc2)ccc1OC(=O)COc1ccccc1C(C)C 40870091 DWZVDVLFJYMZBK-HZHRSRAPSA-N 484.552 5.026 50 10 JKGE COc1ccc(/C(CSc2nc3ccccc3s2)=N\NC(=O)c2cccc(Cl)c2)cc1 59460679 AHOYYPWNUTYOEI-QOMWVZHYSA-N 468.003 5.885 50 10 JKGE CCCn1c(C)cc(/C=C(/C#N)C(=O)N(Cc2ccccc2)c2nc3ccc(OC)cc3s2)c1C 96544685 AJNPNVJSQIHEHN-HAHDFKILSA-N 484.625 6.274 50 10 JKGE COc1ccc(Br)c(C[C@H](CBr)Cc2cccc(Br)c2)c1 97184701 LUXKGURJICEEGF-CYBMUJFWSA-N 477.034 6.017 50 10 JKGE ClC1=C(Cl)[C@@]2(Cl)[C@@H]3[C@H](Br)[C@H](Br)C[C@@H]3[C@@]1(Cl)C2(Cl)Cl 100182605 RVVRZNVGDRBUJH-PXURERNISA-N 498.684 5.995 50 10 JKGE COc1cc(Cl)c([C@@H](Br)c2ccccc2I)cc1OC 109866923 XICHNRJYVQDVBD-HNNXBMFYSA-N 467.528 5.446 50 10 JKGE Clc1ccc(CC(CBr)(CBr)c2ccccc2Br)s1 118672033 MWEZSBJQQQWBJY-UHFFFAOYSA-N 487.482 6.434 50 10 JKGE COc1ccc(Br)cc1[C@@H](Cl)c1cc(Br)c(Br)s1 128842420 WRENIDOLZXOMAN-LLVKDONJSA-N 475.427 6.372 50 10 JKGE CCCCCCCCCOc1ccc(/C=C(/C#N)c2nc3cc(C)c(C)cc3[nH]2)c(Cl)c1 169939944 GJLVRZCYKDJWDF-JWGURIENSA-N 450.026 8.027 50 10 JKGE CCCOc1ccc(-c2nn(-c3ccccc3)cc2/C=C2\C(=O)N([C@H](C)CC)C(=O)C(C#N)=C2C)cc1 214257342 BQUVCYGWBPHZPY-OVZSPSEASA-N 494.595 5.719 50 10 JKGE N#C/C(=C/Nc1ccccc1Sc1ccccc1)C(=O)NC(c1ccccc1)c1ccccc1 216974901 SXIYXSYRQODESI-FLFQWRMESA-N 461.590 6.563 50 10 JKGE Cc1cc([C@@H](Br)c2ccc(I)c(Cl)c2)sc1Cl 232345542 OVHFWJDHXFAMHH-NSHDSACASA-N 461.977 6.452 50 10 JKGE CC(C)CCOCCOc1c(Br)cc(CBr)cc1Br 232595735 DKVOTAVYTKQNKD-UHFFFAOYSA-N 459.016 5.548 50 10 JKGE CN(C)c1ccc(C=NNC(=O)CCn2c(-c3ccccc3)c(-c3ccccc3)c3ccccc32)cc1 254380354 ASGKGIBMCMYQQW-UHFFFAOYSA-N 486.619 6.582 50 10 JKGE Cn1cc(C(=O)NN=Cc2cn(Cc3ccc(Cl)cc3)nc2-c2ccccc2)c2ccccc21 254498303 BOEOJLASNFQDRI-UHFFFAOYSA-N 467.960 5.507 50 10 JKGE CC(C)c1ccc(C=NNC(=O)CSc2nnc(SCc3cccc4ccccc34)s2)cc1 254505774 SEFOOJPFOOTCFE-UHFFFAOYSA-N 492.695 6.349 50 10 JKGE CCN1C(=O)C(=NNC(=O)c2ccc(CSc3nc4ccccc4s3)cc2)c2ccccc21 254856829 VBIMPEQBHDJNCQ-UHFFFAOYSA-N 472.595 5.089 50 10 JKGE C[C@H](CN(C)Cc1ccccc1)n1c(CCCl)nc2cc(I)ccc21 310970402 DEAFIXZYNCFBTO-OAHLLOKOSA-N 467.782 5.115 50 10 JKGE Brc1cc2c(c([C@H](Br)c3ccc(OCc4ccccc4)cc3)c1)OCC2 311887699 OGMXDSYWVBVHMR-OAQYLSRUSA-N 474.192 6.447 50 10 JKGE Fc1ccc([C@H](Br)c2scc(C(F)(F)F)c2Br)c(Cl)c1 312336315 FOPWXQFURVPMHU-VIFPVBQESA-N 452.492 6.806 50 10 JKGE CCOC(OCC)(c1ccc(Sc2ccccc2)c(CC(=O)OC)c1)[C@@H](C)Br 352067569 BIPRBXPDWHNEOT-MRXNPFEDSA-N 467.425 5.563 50 10 JKGE C[C@H](Cl)c1nc2cccnc2n1-c1ccc(I)cc1Br 383569342 ZEFFIFONVRUWLD-QMMMGPOBSA-N 462.516 5.087 50 10 JKGE Cc1cc(Br)c([C@@H](Cl)c2cc(Br)sc2Br)cc1Cl 384968980 KOZNTJYUSKENGF-LLVKDONJSA-N 493.873 7.326 50 10 JKGE COc1ccc([C@H](Cl)c2sccc2I)c(OC)c1Br 394439877 QGIOSLVDSBRNRD-NSHDSACASA-N 473.557 5.461 50 10 JKGE COc1cc([C@H]2CN(C(=O)OCc3ccccc3)C[C@H]2CI)ccc1Cl 394797951 RGWVGOGXSAQROY-IAGOWNOFSA-N 485.749 5.136 50 10 JKGE CC(C)(C)[Si](C)(C)OCCc1cccc([C@@H]2CCCCN2S(=O)(=O)c2ccccc2)c1 616615529 AFOTYYYKOCLSAC-DEOSSOPVSA-N 459.728 6.167 50 10 JKGE COCc1cc(Br)c([C@H](Br)Cc2ccc(Cl)c(Cl)c2)s1 688061686 PMVPZXICZSPOEC-SNVBAGLBSA-N 459.030 6.643 50 10 JKGE C[C@@H]1CCN(Cc2ccccc2)C[C@@H]1n1c(CCl)nc2cc(I)ccc21 716284623 WYPYUWDOYVAZHJ-QRWLVFNGSA-N 479.793 5.463 50 10 JKGE Cc1ccc([C@H](Br)c2cccc(OCc3ccccc3)c2)c(C)c1Br 719559805 GUCIRTUCYXXYOV-JOCHJYFZSA-N 460.209 7.129 50 10 JKGE C[C@H]1Cc2cc(Br)cc([C@H](Br)c3ccc(Br)s3)c2O1 720031281 HBLPMCRGQLPSOG-CPFSXVBKSA-N 467.020 6.081 50 10 JKGE COc1ccc(Oc2ccc(C(F)(F)F)cc2[N+](=O)[O-])c(C=NNC(=O)c2ccccc2OC)c1 1084300365 UQXXTNLCKLJMKQ-UHFFFAOYSA-N 489.406 5.187 50 10 JKGE COc1cc(C=NNC(=O)c2ccccc2Br)ccc1OCc1ccc(C)cc1 1084339573 IUNDUPCBDXLQJF-UHFFFAOYSA-N 453.336 5.109 50 10 JKGE CCOc1ccc([C@H](O)CCC(=O)NN=Cc2cn(Cc3ccc(C)cc3)c3ccccc23)cc1 1084381741 WEMJFYVHXLZXPJ-MUUNZHRXSA-N 469.585 5.361 50 10 JKGE CCCCCC(=NNC(=O)c1ccc(NC(=O)c2ccc(C(C)(C)C)cc2)cc1)c1ccccc1 1084390734 MNZBPXHZQAHOME-UHFFFAOYSA-N 469.629 6.951 50 10 JKGE CCOc1ccc(C(=O)NN=Cc2ccc(OCc3ccccc3)c(Br)c2)cc1 1084462798 NKJUWNQSYKFTGC-UHFFFAOYSA-N 453.336 5.191 50 10 JKGE N#C/C(=C/c1cn(Cc2ccc(F)cc2)c2ccc(Br)cc12)C(=O)NCc1cccs1 1084572259 DOFNJNDLUBCALD-YVLHZVERSA-N 494.389 5.876 50 10 JKGE N#C/C(=C/c1ccc(OCc2ccccc2F)cc1)C(=O)Nc1cc([N+](=O)[O-])ccc1Cl 1084574379 DKRNDZDHMBURJW-BOPFTXTBSA-N 451.841 5.512 50 10 JKGE CCCCc1ccc(NC(=O)c2oc3c(c2C)C(=NNC(=O)COc2ccccc2)CCC3)cc1 1772749276 KAGHIRKICDGXAE-UHFFFAOYSA-N 473.573 5.419 50 10 JKGE CCCc1nn(-c2ccc(Cl)c(Cl)c2)c2c1[C@H](c1cccc3ccccc13)C(C#N)=C(N)O2 1865681972 CFGJLEUSWQMVBW-HSZRJFAPSA-N 475.379 6.503 50 10 JKGE COc1ccc(OC)c([C@@H]2C(C#N)=C(N)Oc3c2c(-c2ccccc2)nn3Cc2ccc(C)cc2)c1 1865691842 CHVAIDIQMOQXFP-RUZDIDTESA-N 478.552 5.142 50 10 JKGE CCCOc1c(OC)cccc1[C@@H]1C(C#N)=C(N)Oc2c1c(C)nn2Cc1c(F)cccc1Cl 1865692783 IDZAGSVYPQCEJP-JOCHJYFZSA-N 482.943 5.048 50 10 JKGE CCCc1nn(-c2cccc3ccccc23)c2c1[C@H](c1cccc(OC)c1OCC)C(C#N)=C(N)O2 1865694527 YTZAYUAVHKJTKN-RUZDIDTESA-N 480.568 5.603 50 10 JKGE CCCc1nn(Cc2cc(C)ccc2C)c2c1[C@@H](c1ccc(OC(C)C)c(OC)c1)C(C#N)=C(N)O2 1865695896 AIGNYJGBZFYNCU-SANMLTNESA-N 486.616 5.515 50 10 JKGE CCCc1nn(-c2ccccc2)c2c1[C@@H](c1ccc(OC(=O)c3ccccc3)cc1)C(C#N)=C(N)O2 1865705595 ZTXYWZPZZDWUAI-VWLOTQADSA-N 476.536 5.262 50 10 JKGE N#CC1=C(N)Oc2c(c(-c3ccccc3)nn2-c2cccc3ccccc23)[C@@H]1c1cccc([N+](=O)[O-])c1 1865706376 VGEHVWGMCGKSGR-RUZDIDTESA-N 485.503 5.819 50 10 JKGE COc1ccc(-c2nn(-c3ccc(Cl)cc3)c3c2[C@H](c2ccc([N+](=O)[O-])cc2)C(C#N)=C(N)O3)cc1 1865712666 DZTWDNOIUSEYSN-JOCHJYFZSA-N 499.914 5.328 50 10 JKGE COc1ccc(/C=C(\C(=O)NNC(=O)c2ccc(-c3cccc(OC)c3)nc2C)c2ccccc2)cc1 1865758627 KBUWMNVMPFSJDU-IMRQLAEWSA-N 493.563 5.076 50 10 JKGE Cc1nc(-c2ccc(Cl)c(Cl)c2)ccc1C(=O)NNC(=O)/C=C/c1ccc(Cl)cc1Cl 1865759167 LPMGMWLFGHDMHP-RUDMXATFSA-N 495.193 6.145 50 10 JKGE CCCOc1ccc(/C=N\NC(=O)c2ccc(-c3ccc(OC)c(OC)c3)nc2C)cc1OCC 1865760718 LSGVBBIFOGMZRS-QRQIAZFYSA-N 477.561 5.026 50 10 JKGE CC(C)[C@H](C(=O)N[C@H](Cc1ccccc1)C(=O)Nc1ccc(SC#N)cc1)c1ccc(F)cc1 1866970112 WAFWYPHODRASSJ-RPBOFIJWSA-N 475.589 5.505 50 10 JKGE N#C/C(=C\c1ccc(N2N=C(c3ccccc3)C[C@@H]2c2ccccc2)cc1)c1ccccc1[N+](=O)[O-] 1872729340 DUVNGEXYVLSMJI-CVFWLPFASA-N 470.532 7.015 50 10 JKGE COc1ccc(-c2csc(/C(C#N)=C(\O)c3ccc4c(c3)C(=O)N(C(C)(C)C)C4=O)n2)cc1OC 1872745611 VSWLGZRIXXPVLE-PYCFMQQDSA-N 489.553 5.172 50 10 JKGE CCOc1ccc(-c2csc(/C(C#N)=C(\O)c3ccc4c(c3)C(=O)N(C3CCCCC3)C4=O)n2)cc1 1872747415 BMGSONLVECQKMR-BZZOAKBMSA-N 499.592 6.087 50 10 JKGE N#C/C(=C(/O)Cc1ccc(OCc2ccccc2)cc1)c1nc(-c2ccc(Cl)cc2)cs1 1872747982 BIMWDYWRDJNUQG-BZZOAKBMSA-N 458.970 7.078 50 10 JKGE COc1ccc(Cl)cc1N1C[C@@H](/C(O)=C(\C#N)c2nc(-c3cc(C)ccc3C)cs2)CC1=O 1872750001 RUKYSABPYPCFBS-WGCOJADFSA-N 479.989 5.935 50 10 JKGE CC(C)c1ccc(-c2csc(/C(C#N)=C(\O)CNC(=O)c3ccc(Cl)cc3Cl)n2)cc1 1872752334 XOLOZXZYAHVJEF-UZYVYHOESA-N 472.397 6.463 50 10 JKGE CC[C@H](C)[C@@H](/C(O)=C(\C#N)c1nc(-c2ccc(F)cc2)cs1)N1C(=O)c2ccccc2C1=O 1872753189 LFBBLLMJLNCFND-VVYGKFLPSA-N 461.518 5.453 50 10 JKGE CCOc1cc(/C=C(\C#N)c2nc(C(C)C)cs2)ccc1OCc1c(Cl)cccc1Cl 1872791308 CPLPZPZBLSVLPC-LICLKQGHSA-N 473.425 7.615 50 10 JKGE C[C@@]1(COc2c(Br)cc(Br)cc2CBr)CCCOC1 1877696979 NZJKASORBAIUHY-CQSZACIVSA-N 457.000 5.302 50 10 JKGE O=C(O)c1sc(N(C(=O)OCC2c3ccccc3-c3ccccc32)C2CC2)nc1CCl 1887616856 DOIRBQUJAPZMSZ-UHFFFAOYSA-N 454.935 5.498 50 10 JKGE COc1cc(C)c([C@@H](Br)c2cc(C)c(Br)o2)cc1Br 1901585398 BKLHPLYDYUPTPL-CYBMUJFWSA-N 452.968 5.914 50 10 JKGE CN(Cc1cc(I)ccc1Cl)C[C@@H](Cl)COCc1ccccc1 1905039798 GNDZWCJAVZGVDA-MRXNPFEDSA-N 464.174 5.201 50 10 JKGE Clc1sc([C@@H](Br)c2cc(I)sn2)cc1Br 1909890202 ZUJIRJBBKBXTDZ-ZETCQYMHSA-N 499.418 5.709 50 10 JKGE C[C@@H](Br)CN(Cc1ccccc1)C(=O)c1ccc(Br)c(C(F)(F)F)c1 1914631210 BKUCUGUVNRKGBU-GFCCVEGCSA-N 479.134 5.894 50 10 JKGE O=C(c1scc(Br)c1Br)N1[C@H]2CCC[C@H]1CC(Br)C2 1922782429 NIHYSMIBVOXTQO-IUCAKERBSA-N 472.040 5.194 50 10 JKGE Cc1cc([C@H](Cl)c2c(Br)sc(Br)c2Cl)oc1Br 1923067052 YBJQGSHFNKPYIX-LURJTMIESA-N 483.834 6.919 50 10 JKGE CC(C)CCN(CCBr)C(=O)c1cc(Br)c(Br)s1 1924441217 HKSITMNMASSUQD-UHFFFAOYSA-N 462.045 5.156 50 10 JKGE CC(C)c1ccc([C@@H](Cl)c2c(Br)sc(Br)c2Br)cc1 1924597012 WLOAFBFVCJIVII-GFCCVEGCSA-N 487.482 7.487 50 10 JKGE CC[C@@H](C(C)C)[C@H](Cl)c1c(Br)sc(Br)c1Br 1924613905 LURQKDHKXWEWDC-RCOVLWMOSA-N 453.465 6.998 50 10 JKGE Brc1ccc([C@H](Br)Cc2ccccc2I)cc1 1940444834 DQTWHQHDRNEETD-CYBMUJFWSA-N 465.954 5.732 50 10 JKGE Cc1c(Br)ccc([C@@H](Br)[C@H]2C[C@H](Br)C2)c1Br 1994122105 IMTIGCOSWARJJQ-UBJUHAIHSA-N 475.844 6.130 50 10 JKGE CC1(C)CN(Cc2ccccc2)CCN1c1ccc(Br)cc1CBr 1997374039 NSHGBJPCBDBWFE-UHFFFAOYSA-N 452.234 5.445 50 10 JKGE Cc1cc(Cl)c(Br)cc1[C@H](Cl)c1csc(I)c1 2023706080 TVSSNUNNHJFZEG-GFCCVEGCSA-N 461.977 6.405 50 10 JKGE CCc1sc(Br)cc1[C@@H](Br)c1cc(F)ccc1Br 2030221431 OFSRZFBZMMVUPU-ZDUSSCGKSA-N 457.000 6.459 50 10 JKGE Clc1cccc(Br)c1[C@H](Br)Cc1ncccc1Br 2050316263 GNDPJCDUILXSMA-SNVBAGLBSA-N 454.387 5.939 50 10 JKGE C[C@H](CCCCCI)NCc1cc(Br)ccc1Br 2054714565 UTFHDZONBRRPHG-LLVKDONJSA-N 489.033 5.685 50 10 JKGE Cc1c(Br)ccc([C@@H](Cl)c2ccccc2Br)c1Br 2083319004 USAXBWIWKXOQOA-AWEZNQCLSA-N 453.399 6.611 50 10 JKGE O=C(c1cc(Br)sc1Br)N1CC[C@@H]2C[C@@H](Br)CC[C@@H]21 2087662884 FZZVCCVMRUZKBL-WEDXCCLWSA-N 472.040 5.051 50 10 JKGE BrCc1ccc(N2CCC[C@H]2[C@H]2CCN(Cc3ccccc3)C2)c(Br)c1 2089000829 PRRLKKSWMRCLQL-FPOVZHCZSA-N 478.272 5.835 50 10 JKGE CC(C)(C)C[C@H](Br)CNC(=O)c1c(Br)cccc1Br 2094088630 NDHJSDMTWJQRNN-VIFPVBQESA-N 456.016 5.141 50 10 JKGE Fc1cc(F)c([C@@H](Br)c2c(Br)cccc2Br)c(F)c1 2094090160 DZOOYDIZSFEJCH-ZDUSSCGKSA-N 458.897 6.113 50 10 JKGE Cc1cc(Br)c([C@@H](Cl)c2c(Br)sc(C)c2C)cc1Br 2101002494 COCWRPPRBKHUMS-CYBMUJFWSA-N 487.482 7.289 50 10 JKGE ClCc1nc2cc(Cl)c(Br)cc2n1C1[C@H]2CN(Cc3ccccc3)C[C@H]12 2112691941 ZZSJZBUADKIJRO-KBPBESRZSA-N 451.195 5.494 50 10 JKGE Fc1cc(F)c([C@@H](Br)c2c(Cl)sc(Br)c2Cl)cc1Cl 2122802546 QLIIDLWKNNPPED-MRVPVSSYSA-N 471.375 7.233 50 10 JKGE Cc1cc(CN(C)c2cccc(Br)c2CBr)sc1Br 2137587499 SWPQYKGJCRJDLS-UHFFFAOYSA-N 468.052 6.113 50 10 JKGE Cc1ccccc1C(CBr)(CBr)Cc1csc(Br)c1 2139781153 UDHZXVDVELFVGS-UHFFFAOYSA-N 467.064 6.089 50 10 JKGE Brc1ccc([C@@H](Br)c2ccc3c(c2)COC3)c(I)c1 2142289355 YRBDSDRMPHLNSV-HNNXBMFYSA-N 493.964 5.568 50 10 JKGE Fc1c(F)c(F)c([C@@H](Br)c2sc(Cl)cc2Br)c(F)c1F 2154476463 XCYDLYNGHQHHOD-RXMQYKEDSA-N 456.455 6.344 50 10 JKGE FC(F)(F)[C@@H]1CN(Cc2ccc(Br)cc2Br)C[C@@H]1CBr 2163286048 KDCAVKFTWQVQNO-GXSJLCMTSA-N 479.960 5.217 50 10 JKGE Clc1sc(Br)c(Cl)c1[C@H](Br)Cc1ccc2c(c1)CCO2 2168660457 IKHLZQKGYLIWCB-SECBINFHSA-N 457.014 6.431 50 10 JKGE FC1(F)CCC2(CC1)[C@H](Br)C[C@H]2Oc1cccc(I)c1 2177597075 YENWOZCMIXXQFW-CHWSQXEVSA-N 457.096 5.402 50 10 JKGE Cc1cc(Br)cc([C@@H](Br)c2c(Br)cc(F)c(Cl)c2F)c1 2201619498 RCAYSPIGNXXQTP-GFCCVEGCSA-N 489.379 6.936 50 10 JKGE CCOc1cc(CBr)cc(Br)c1OCc1csc(Br)c1 2204650558 KDXUBRXPQGXYJL-UHFFFAOYSA-N 485.035 6.146 50 10 JKGE COc1csc([C@H](Br)c2cc(Br)c(Br)cc2F)c1 2218595916 BVFBCBWXWYEHLC-GFCCVEGCSA-N 458.972 5.905 50 10 JKGE C[C@@H]1COCC[C@H]1[C@H](Br)c1c(Br)cc(Cl)c(Cl)c1Cl 2224301927 GCSKYZGQNZSBRA-AMXGMDGSSA-N 451.413 6.518 50 10 JKGE Clc1csc([C@H](Cl)c2c(Br)cc(Cl)c(Cl)c2Cl)c1Cl 2224320155 HSEDEZUZOGKRTJ-SNVBAGLBSA-N 459.834 8.106 50 10 JKGE Cc1cc(Cl)ccc1[C@@H](Br)c1cc(Br)c(Br)cc1F 2225617513 PAABLRWGLPXVEQ-CQSZACIVSA-N 471.389 6.797 50 10 JKGE CCCCCCCCCCCCO[C@H]1CN(C(=O)OC(C)(C)C)C[C@H]1I 2231019841 PKDLXGFIDRTTAK-MOPGFXCFSA-N 481.459 6.347 50 10 JKGE CC(C)(C)OC(=O)N1CCC(CI)(O[C@H]2CC[C@@H](C(F)(F)F)CC2)CC1 2231386953 CIGIRTNXOJAKCM-OKILXGFUSA-N 491.332 5.329 50 10 JKGE Clc1cc(Br)c([C@H](Br)[C@@H]2C[C@@H]3CCCC[C@H]32)c(Cl)c1Cl 2232522532 ZBIZAYBOGUWAAT-XHGVETGHSA-N 461.452 7.672 50 10 JKGE Cc1cc(Br)c([C@@H](Br)c2ccc(Cl)cc2Cl)c(C)c1Cl 2232531054 XOPHUKISNOGDIM-AWEZNQCLSA-N 457.420 7.510 50 10 JKGE C[C@H](Cl)c1nc2c(F)cc(Br)cc2n1C[C@H]1CC1(Br)Br 2233039825 MOHGVXOKMKLUTF-NKWVEPMBSA-N 489.408 5.744 50 10 JKGE Brc1cccc(Br)c1[C@H](Br)c1ccc([C@H]2CCOC2)s1 2240431688 LJPSMFQZNXUSEL-BJOHPYRUSA-N 481.047 6.261 50 10 JKGE COc1ccc([C@H](Cl)c2ccc(Br)c(C)c2Br)c(Br)c1 2240820270 XUWUXYXXZAXWLF-HNNXBMFYSA-N 483.425 6.619 50 10 JKGE ClC[C@H](OCc1cc(Br)ccc1Cl)[C@@H](I)CCl 2252738192 XMIFKPPZHRFZLV-QWRGUYRKSA-N 472.375 5.269 50 10 JKGE CCCCc1ccc([C@@H](Br)c2c(Br)cccc2Br)s1 2264375861 XWLSPNZZPSGCCS-OAHLLOKOSA-N 467.064 7.100 50 10 JKGE Brc1cnc(N2C[C@H](Br)C[C@H]3CCCC[C@H]32)c(Br)c1 2264948765 RUYFDUHGLQIJKI-IRUJWGPZSA-N 453.016 5.139 50 10 JKGE CCC(CC)(CC)[C@@H](Br)c1c(F)cc(Br)c(F)c1Br 2272742657 YMVJBACTPWOWKY-ZDUSSCGKSA-N 462.998 7.142 50 10 JKGE Cc1cc([C@@H](Cl)c2c(F)cc(Br)c(F)c2Br)oc1Br 2272841308 MCARSULUSMCSRM-SNVBAGLBSA-N 479.340 6.482 50 10 JKGE FC1([C@H](Br)Cc2cc(Br)cc(Br)c2)CC2(CCC2)C1 2277956958 RSRQIKFNGFRKBX-CYBMUJFWSA-N 455.003 6.190 50 10 JKGE Cc1cc(Br)c([C@@H](Br)[C@@]23C[C@@H](CO2)C3(C)C)c(C)c1Br 2289115205 DKXYSGKSGFBZIV-DRZCJDIDSA-N 467.039 6.080 50 10 JKGE N#CC(=CNc1ccc(Oc2ccccc2)cc1)c1nc(-c2ccc(Cl)c(Cl)c2)cs1 2296800680 NUIRTGNYGDVNET-UHFFFAOYSA-N 464.377 7.886 50 10 JKGE CCCCOc1ccc(C=C(C#N)c2nc(-c3cc4c(ccc5ccccc54)oc3=O)cs2)cc1 2297213701 GLSJWWHXUXKOAD-UHFFFAOYSA-N 478.573 7.313 50 10 JKGE Cn1cc([C@@H](Cl)c2ccc(OCc3ccccc3)cc2Br)nc1Br 2299504104 KTFQAZCUEGZKKP-KRWDZBQOSA-N 470.592 5.852 50 10 JKGE ClC[C@@H](Br)[C@H](CCl)OCc1c(Br)cccc1Br 2302101104 IMPIRPZNCMUHOR-MNOVXSKESA-N 469.826 5.338 50 10 JKGE Brc1cc(C[C@H]2[C@H]3CC[C@@H](C3)[C@H]2Br)ccc1I 2306218144 XFGVCANRHREBKF-AYGWYOGXSA-N 469.986 5.406 50 10 JKGE Brc1cc(Br)c([C@@H](Br)[C@@H]2C[C@H]2C2CCOCC2)s1 2311500240 YLXJJEOQMPOEMH-SBMIAAHKSA-N 459.041 5.772 50 10 JKGE Cc1ccc(NC(=O)C(C#N)=Cc2cc(Br)ccc2OCc2cccc(Cl)c2)cc1 2313630613 CSWBHKDZSCSNNZ-UHFFFAOYSA-N 481.777 6.536 50 10 JKGE Fc1cc(Cl)ccc1[C@H](Br)c1ccc(OCc2ccccc2)cc1Br 2314448204 FYWDQYPCXYAQIK-HXUWFJFHSA-N 484.590 7.305 50 10 JKGE C[C@@H]1O[C@H](C)[C@H]([C@@H](Br)c2cc(Br)ccc2OCc2ccccc2)[C@@H]1C 2314491576 RKIXOEGNENQYQH-NLBCRMTASA-N 468.229 6.524 50 10 JKGE N#CC(=Cc1ccc(-c2ccccc2Cl)o1)C(=O)Nc1cc(C(F)(F)F)cc(C(F)(F)F)c1 2314571483 FTBSHNUUANOUBR-UHFFFAOYSA-N 484.783 7.183 50 10 JKGE CCOc1ccc(N2C(=O)[C@H](Cc3cccc(C)c3)SC2=C(C#N)C(=O)NCc2ccccc2)cc1 2314594123 ZJKFDVSWJATLBZ-SANMLTNESA-N 497.620 5.136 50 10 JKGE C[C@@H]1COC[C@H]1[C@@H](Br)c1c(Cl)cc(Br)c(F)c1Br 2315445882 QNEBFMABQGPALE-OXOINMOOSA-N 465.382 5.723 50 10 JKGE FC(F)(F)[C@@H]1CCO[C@H]1[C@H](Br)c1sc(Cl)cc1I 2316597063 MUFBGSHRRIVJIU-BTZDVCGTSA-N 475.495 5.410 50 10 JKGE Fc1cccc(C[C@H](Br)c2sc(Cl)cc2I)c1F 2316599935 YJGQCOKSUORVDI-ZETCQYMHSA-N 463.512 5.963 50 10 JKGE Cc1sc(C)c([C@@H](Br)c2ccc(Cl)cc2I)c1C 2317778319 MORLGYFIXPUYSE-AWEZNQCLSA-N 455.586 6.416 50 10 JKGE COc1ccc(C(C#N)=Cc2cccc(OC(=O)[C@H](C)Oc3ccc(Cl)cc3Cl)c2)cc1 2320511217 PHMOVTZSAVTUBK-INIZCTEOSA-N 468.336 6.439 50 10 JKGE CCN1C(=O)COc2ccc(C(C)=NNC(=O)c3ccc(-c4ccc(Cl)cc4Cl)nc3C)cc21 2321275999 ZGYIPYUGFDDIEI-UHFFFAOYSA-N 497.382 5.263 50 10 JKGE COc1ccc(CC(O)=C(C#N)c2nc(-c3ccc(Br)cc3)cs2)c(OC)c1 2331259621 DHKSVNQCNKWPJZ-UHFFFAOYSA-N 457.349 5.625 50 10 JKGE N#CC(=C(O)CCCOc1ccc(Cl)cc1Cl)c1nc(-c2ccc([N+](=O)[O-])cc2)cs1 2331281583 QLSZRNJIMIKFMZ-UHFFFAOYSA-N 476.341 6.677 50 10 JKGE COc1ccc(-c2csc(C(C#N)=C(O)C=Cc3ccc(Cl)c(Cl)c3)n2)c(OC)c1 2331385485 HSYQNNQBQIPZCQ-UHFFFAOYSA-N 459.354 6.640 50 10 JKGE CCCCOc1ccc(C=C(C#N)c2nc(-c3ccc(OC)c(F)c3)cs2)cc1OCC 2331454007 KYDOHPGYGQVVLC-UHFFFAOYSA-N 452.551 6.600 50 10 JKGE C[C@@H]1CC[C@](C)([C@H](Br)c2ccc(OCc3ccccc3)cc2Br)C1(C)C 2336052558 BIFVCIACYBRFRI-FQQGMQMYSA-N 480.284 7.927 50 10 JKGE Cn1nc(Br)c(Br)c1[C@@H](Br)Cc1ccc(Cl)c(Cl)c1 2338691104 ONTZOBKTTGNLNQ-ZETCQYMHSA-N 491.836 5.931 50 10 JKGE CCCC[C@@H](C)[C@@H](Br)c1c(C)cc(Br)c(OC)c1Br 2339650144 CDBWCHKDSACJGY-NOZJJQNGSA-N 457.044 6.791 50 10 JKGE CCC1([C@@H](Br)c2c(C)cc(Br)c(F)c2Br)CCCC1 2339675455 RILSZMKOVAHQAE-AWEZNQCLSA-N 457.019 7.066 50 10 JKGE CCOCc1cc(Br)c([C@H](Br)c2csc(C)c2Br)s1 2343565216 UZRUGYKBEFBMEX-GFCCVEGCSA-N 489.092 6.664 50 10 JKGE Fc1cc(CCl)cc(OCc2ccc(I)c(Br)c2)c1 2349808753 PGDRKINYOVYRFX-UHFFFAOYSA-N 455.492 5.511 50 10 JKGE BrC[C@]12CCC[C@H](CN(Cc3cc(Br)ccc3Br)C1)C2 2357625869 UVGQNOXZCMIQHG-BLLLJJGKSA-N 466.055 5.599 50 10 JKGE O=C(c1scc(Br)c1Br)N1CC[C@H](Cl)C[C@@H]1C(F)(F)F 2361462955 QUQWCNMZHWPDHH-CAHLUQPWSA-N 455.521 5.047 50 10 JKGE Fc1c(Br)cc(Cl)c([C@@H](Br)C2CC3(CCCO3)C2)c1Br 2362227035 ZKEPVAVVQUVTRP-XXCWSLKQSA-N 491.420 6.399 50 10 JKGE Fc1c(Br)cc(Cl)c([C@H](Br)C2[C@@H]3CCCCC[C@@H]23)c1Br 2362228927 PUKYZBASKDLLEL-OTPXZMOZSA-N 489.448 7.266 50 10 JKGE CS(=O)(=O)C1([C@H](Cl)c2c(Cl)cc(Br)c(F)c2Br)CCC1 2362239198 LEKKQRRUZYELBM-LLVKDONJSA-N 468.997 5.251 50 10 JKGE Cc1nc(Br)c([C@@H](Cl)c2c(Br)cc(Cl)c(Cl)c2Cl)n1C 2362443117 VZFNSBVSKFPYCV-JTQLQIEISA-N 481.830 6.542 50 10 JKGE Cc1cc(Br)c(F)c(Br)c1[C@H](Br)c1ccc(F)c(Cl)c1 2365186997 WJPRDYXMEBATGV-GFCCVEGCSA-N 489.379 6.936 50 10 JKGE CN(Cc1ccc(I)c(Br)c1)C[C@@H](Cl)C1CCCCC1 2377344270 RADHFXSQGMYEIF-OAHLLOKOSA-N 470.620 5.673 50 10 JKGE Cc1ccc(C[C@H]2S/C(=C(C#N)\C(O)=N\c3cccc(C)c3C)N(c3ccccc3)C2=O)cc1 2225021 NIKPCJDOOPWJIM-RAMZYJDASA-N 467.594 6.326 50 10 JKGE N#C/C(=C/c1cccc2ccccc12)C(=O)Nc1ncc(Cc2cc(C(F)(F)F)ccc2Cl)s1 2553637 HSCSPEBTCZCVPO-ZDLGFXPLSA-N 497.929 7.105 50 10 JKGE Cc1ccc(NC(=O)/C(C#N)=C\c2cn(CC(=O)NCc3ccco3)c3ccccc23)cc1Cl 33344871 BXYZDKLLZQQQDH-WQRHYEAKSA-N 472.932 5.058 50 10 JKGE Cc1ccc(OCCOc2ccc(/C=C(/C#N)C(=O)NCc3ccco3)cc2Br)cc1 33795717 ISVXWSZJLQYVQD-UYRXBGFRSA-N 481.346 5.032 50 10 JKGE CC(C)c1ccc(NC(=O)/C(C#N)=C\c2cn(-c3ccccc3)nc2-c2cccc3ccccc23)cc1 35519301 ANGJQTWLVZMJEV-PLRJNAJWSA-N 482.587 7.362 50 10 JKGE COc1cccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)C(c4ccccc4)c4ccccc4)ccc32)c1 38650250 ZBHFVCMLBMVNFF-LJAQVGFWSA-N 488.543 5.651 50 10 JKGE COc1cc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4ccccc4F)ccc32)ccc1OCC(C)C 38684245 LYVJKGAQVYGUJW-SANMLTNESA-N 488.515 5.306 50 10 JKGE CCOc1cccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4ccc(Cl)cc4Cl)ccc32)c1 38684881 MKVAITNYETWUSU-HSZRJFAPSA-N 481.335 5.829 50 10 JKGE CCCCCOc1ccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4cccc(C)c4)ccc32)cc1 38685269 HFYKDIAZODLBCN-HHHXNRCGSA-N 468.553 6.001 50 10 JKGE Cc1c(C(=O)N2CCc3ccccc3C2)oc2c1/C(=N/NC(=O)c1ccc(Cl)cc1Cl)CCC2 40813721 AUEKLFZOSYJGRY-XHLNEMQHSA-N 496.394 5.564 50 10 JKGE CCc1ccc(OCCCC(=O)N/N=C/c2ccc(OCc3ccccc3)cc2)c(Br)c1 40959336 AUOVZNSSNSORJG-MTDXEUNCSA-N 495.417 5.900 50 10 JKGE O=C(N/N=C/c1ccc(-c2cc(Cl)ccc2Cl)o1)c1cc2cc(Br)ccc2o1 59303634 NNOYWXKWEMIJKH-YSURURNPSA-N 478.129 6.526 50 10 JKGE CCOc1cc(Br)c(/C=C(\C#N)C(=O)Nc2cccc(Cl)c2Cl)cc1OC 59336270 WJOUUWMWAZCHPL-KPKJPENVSA-N 470.150 5.709 50 10 JKGE Cc1cccc(C(=O)Nc2ccc(C(=O)NNC(=O)[C@H](C)c3ccc(CC(C)C)cc3)cc2)c1 66199272 KIXWWADVPJVTCC-HXUWFJFHSA-N 457.574 5.011 50 10 JKGE COc1cc(/C=C(/C#N)S(=O)(=O)c2ccccc2)ccc1OC(=O)c1ccc(Cl)cc1Cl 96504296 QPKXUMFMXFCAIA-WQRHYEAKSA-N 488.348 5.560 50 10 JKGE COc1cccc(N/C(SCc2ccccc2Cl)=C(\C#N)C(=O)NCc2ccccc2)c1 105423132 SCEDSOWZJQUWHC-LVWGJNHUSA-N 463.990 5.745 50 10 JKGE O=C/C(=C\Nc1ccc(S(=O)(=O)Nc2ccc(Br)cc2)cc1)c1nc2ccccc2o1 109326010 OYLIIBCXXJVQSZ-FYWRMAATSA-N 498.358 5.043 50 10 JKGE CCCOc1ccc(CBr)c(OCc2ccc(I)cc2)c1 115901824 YKSOTLMQXBWPDQ-UHFFFAOYSA-N 461.137 5.554 50 10 JKGE O=C(N[C@H]1c2ccccc2C[C@@H]1Br)c1cc(Br)ccc1Br 161222220 DGXRGXXHSNXVJI-GJZGRUSLSA-N 473.990 5.002 50 10 JKGE C[C@@H]1C[C@H](O[C@@H](CI)c2ccccc2Br)CC(C)(C)C1 162142755 HSSVUOQWGQDUEC-WWGRRREGSA-N 451.186 6.157 50 10 JKGE CCOc1cc(Cl)c([C@H](Br)c2cc(Br)ccc2C)cc1Cl 164557717 DHBVJHKZRPJWMA-MRXNPFEDSA-N 453.001 6.947 50 10 JKGE CCCC[Si]1(CCCC)O[Si](CCCC)(CCCC)O[Si](CCCC)(CCCC)O1 197363651 MBMIFMJNNVFCPF-UHFFFAOYSA-N 474.951 9.177 50 10 JKGE CCOc1ccccc1[C@H]1C(C#N)=C(N)Oc2cc(OC(=O)/C=C\c3ccc(C)cc3)ccc21 205642048 PXAKVGCJERJDOC-SLXWYTGMSA-N 452.510 5.231 50 10 JKGE CCOC(=O)/C(C#N)=C/c1cccc(OC(=O)/C=C\c2ccc(OCCC(C)C)c(OC)c2)c1 206953737 WJNGCQGQFXQRJY-YGPHFNNGSA-N 463.530 5.209 50 10 JKGE C=CCN1C(=O)C(C#N)=C(C)/C(=C/c2cn(-c3ccccc3)nc2-c2ccc(OC(C)C)cc2C)C1=O 214354980 OGNCUATYTZEZGL-QQXSKIMKSA-N 492.579 5.413 50 10 JKGE Cc1ccc(F)c([C@H](Br)c2cc(Br)ccc2Br)c1F 214828914 SERPUGMLXUWURJ-CYBMUJFWSA-N 454.934 6.283 50 10 JKGE O=C(c1cc(Br)cc(Br)c1)N(CCBr)Cc1ccccc1 232487536 KWLCXELIZAHDML-UHFFFAOYSA-N 476.006 5.249 50 10 JKGE CCOc1ccc([C@@H](Cl)c2cc(Br)ccc2I)cc1 233796295 QMNLHLOHLCJELW-OAHLLOKOSA-N 451.529 5.781 50 10 JKGE COc1ccc(F)cc1[C@H](Cl)c1cc(I)ccc1Br 234857927 OQBUVWGWLUVOLD-CQSZACIVSA-N 455.492 5.530 50 10 JKGE Clc1ccc([C@H](Br)c2cc(Br)sc2Br)c2ccccc12 236066207 PGOAULDRIIJEPO-AWEZNQCLSA-N 495.461 7.564 50 10 JKGE Fc1cccc(Cl)c1C[C@H](Br)c1cc(Cl)ccc1I 236143876 ZOOIYMHQXDBSJF-NSHDSACASA-N 473.938 6.416 50 10 JKGE Fc1cc(Br)c(Cl)cc1[C@H](Br)C(C(F)(F)F)C(F)(F)F 236229572 YWXOVCAHRPSGHT-ZETCQYMHSA-N 452.389 6.418 50 10 JKGE CCn1c(SCC(=O)NN=C/C=C\c2ccccc2OC)nnc1-c1ccc(C(C)(C)C)cc1 254866887 WIBSESWUTKAPHS-UOAFMGIVSA-N 477.634 5.179 50 10 JKGE CCCN(CCC)C(=O)[C@@]12CC[C@@](C(Br)Br)([C@H]1Br)C2(C)C 256020139 BPOOGYUQZALNBW-XFBWCDHKSA-N 488.102 5.321 50 10 JKGE CC(C)(C)c1ccc([C@@H]2c3sc(=S)[nH]c3S[C@@H]3[C@H]4C[C@@H]([C@@H]5C(=O)OC(=O)[C@@H]54)[C@H]23)cc1 256026136 NEELJKMUQOINLO-FCWSEJIYSA-N 457.642 5.291 50 10 JKGE Brc1cc([C@@H]2CCC[C@H](CI)O2)sc1Br 307331953 ZWQZTXLQBPSGOD-SVRRBLITSA-N 465.976 5.318 50 10 JKGE Cc1sc(Br)cc1[C@@H](Br)c1ccccc1OCc1ccccc1 310021946 SCEOAXXIBYMJOD-IBGZPJMESA-N 452.211 6.882 50 10 JKGE Fc1cccc(C(CBr)(CBr)Cc2coc(Br)c2)c1 378947772 NGWDJPXBPXMTKH-UHFFFAOYSA-N 454.959 5.452 50 10 JKGE Fc1cc(Cl)ccc1[C@H](Br)c1scc(C(F)(F)F)c1Br 380225766 KEYSWWZUUVXSQQ-VIFPVBQESA-N 452.492 6.806 50 10 JKGE O=C(OCc1ccccc1)N1C[C@@H](CBr)[C@H](c2cc(Br)ccc2F)C1 382685889 FLSAERHRGPRAEP-RHSMWYFYSA-N 471.164 5.335 50 10 JKGE O=C(OCc1ccccc1)N1C[C@H](c2cc(Br)ccc2Br)[C@@H](CCl)C1 382690141 MIHRYLSFNDKTBP-YOEHRIQHSA-N 487.619 5.803 50 10 JKGE C[C@H](Cl)c1nc2cc(F)c(Br)cc2n1[C@@H]1CN(Cc2ccccc2)C[C@@H]1C 389872101 QIZCYVLXFVRIMX-PJSUUKDQSA-N 450.783 5.931 50 10 JKGE COc1ccc(Br)cc1[C@H]1CN(Cc2ccccc2)C[C@H]1CI 394767144 CMLWGVRNORUWTE-QAPCUYQASA-N 486.191 5.108 50 10 JKGE CC(C)(C)[Si](C)(C)OCc1cccc([C@H]2CN(S(=O)(=O)c3ccccc3)c3ccccc3N2)c1 616587098 ZWVGPUGDGKYGOZ-RUZDIDTESA-N 494.733 6.571 50 10 JKGE BrCc1c(Br)cccc1OCCOc1cccc(Br)c1 706855742 NUVLVZHDXKHIPM-UHFFFAOYSA-N 464.979 5.564 50 10 JKGE C[C@H](Cl)c1nc2cc(I)ccc2n1C[C@@H]1CN(Cc2ccccc2)C[C@@H]1C 708572807 GJBYQDBAZPCMHU-BQFCYCMXSA-N 493.820 5.709 50 10 JKGE CN(C[C@@H]1CCCCN1Cc1ccccc1)c1cccc(Br)c1CBr 720016923 NXHWRFORSOSAPP-SFHVURJKSA-N 466.261 5.835 50 10 JKGE O=C(NN=Cc1cc(Br)ccc1OCc1ccccc1F)c1ccc(Cl)cc1 1083967950 AQZHIBIYPZMOND-UHFFFAOYSA-N 461.718 5.585 50 10 JKGE Cc1ccc(-n2c(C)c(Br)c(C=NNC(=O)c3cc4ccccc4cc3O)c2C)c(C)c1 1084574315 BLZGVAZITYKEJB-UHFFFAOYSA-N 490.401 6.096 50 10 JKGE Cc1cccc(C[C@H]2S/C(=C(\C#N)C(=O)N[C@H](C)c3ccccc3)N(c3ccc(C)c(C)c3)C2=O)c1 1614653281 MISWIATZKHXNDG-NZBROUCASA-N 495.648 5.916 50 10 JKGE O=C(NN=C(c1ccc(OC(F)F)cc1)c1ccc(OC(F)F)cc1)Nc1ccc(Cl)cc1 1616045778 HBNOHFJVJUOFMD-UHFFFAOYSA-N 481.833 6.117 50 10 JKGE Cc1cc(C)cc(NC(=O)c2oc3c(c2C)C(=NNC(=O)c2cncc(Br)c2)CCC3)c1 1772747924 SUVQCWVAXOBZJX-UHFFFAOYSA-N 495.377 5.085 50 10 JKGE COc1ccccc1NC(=O)c1oc2c(c1C)C(=NNC(=O)Cc1coc3c(C)c(C)ccc13)CCC2 1772751857 OGNVQGOHEMCSDP-UHFFFAOYSA-N 499.567 5.611 50 10 JKGE CCc1nn(-c2cccc3ccccc23)c2c1[C@H](c1cccc(Br)c1)C(C#N)=C(N)O2 1865684820 ZJBFJQHFWAINPZ-JOCHJYFZSA-N 471.358 5.569 50 10 JKGE CCCOc1cccc([C@H]2C(C#N)=C(N)Oc3c2c(CCC)nn3Cc2ccc(Cl)c(Cl)c2)c1 1865692411 BHYZXRLIBRSFDV-QHCPKHFHSA-N 497.426 6.198 50 10 JKGE CCCCCOc1ccc([C@@H]2C(C#N)=C(N)Oc3c2c(C(F)(F)F)nn3CC(C)C)cc1OC 1865697059 VWANUOFZKXURKD-LJQANCHMSA-N 478.515 5.354 50 10 JKGE COc1ccc(-c2nn(Cc3ccccc3)c3c2[C@@H](c2ccc(F)cc2F)C(C#N)=C(N)O3)cc1 1865702027 KWXQIHNRQGPNFQ-QHCPKHFHSA-N 470.479 5.103 50 10 JKGE CCC[C@H](NC(=O)C[C@H](c1ccc(Cl)cc1)C(C)C)C(=O)Nc1ccc(SC#N)cc1 1866761429 KXILALHXONEWDR-VXKWHMMOSA-N 458.027 5.966 50 10 JKGE CCCOc1ccc(-c2csc(/C(C#N)=C(\O)CNC(=O)c3ccc(Cl)cc3Cl)n2)cc1 1872749577 XWICHWIKYJBJSI-UZYVYHOESA-N 488.396 6.128 50 10 JKGE CCCCCCCOc1ccc(-c2csc(/C(C#N)=C(\O)c3ccc(-c4ccccc4)cc3)n2)cc1 1872753355 SZIZJLSELSXIDF-HYOGKJQXSA-N 494.660 8.776 50 10 JKGE COc1c(Cl)cc(Cl)cc1-c1csc(/C(C#N)=C(\O)CCCOc2ccc(C)cc2)n1 1872754370 PMIRTCSIEFLBCP-UZYVYHOESA-N 475.397 7.086 50 10 JKGE COc1cc(/C=C(\C#N)c2nc(-c3ccc(Br)cc3)cs2)ccc1OC(C)C 1872781228 ZKNBCFXGRLNZRC-LICLKQGHSA-N 455.377 6.433 50 10 JKGE COc1ccc(-c2csc(/C(C#N)=C/c3ccc(OCc4ccccc4C)cc3)n2)cc1F 1872792381 VSVXGKZDHGMPBV-LPYMAVHISA-N 456.542 6.909 50 10 JKGE CCOc1c(Br)cc(/C=C(\C#N)c2nc(-c3ccc(F)c(F)c3)cs2)cc1OC 1872793404 YECDOHYCBRBSRO-MKMNVTDBSA-N 477.330 6.322 50 10 JKGE CC(C)[C@H](/C(O)=C(\C#N)c1nc(-c2ccc(F)cc2F)cs1)N1C(=O)c2ccccc2C1=O 1872818058 LBFLBAYPVWNDKA-HTNUNKGTSA-N 465.481 5.202 50 10 JKGE Cc1cc(Br)c([C@H](Br)C23CCC(CC2)OC3)cc1Br 1878057734 AUBCSLXJYPSCKT-CUMGRINNSA-N 453.012 5.915 50 10 JKGE Cl[C@H](c1ccc(OCc2ccccc2)cc1Br)c1cscc1OCc1ccccc1 1899849116 JDDWUPPYYHNAMJ-RUZDIDTESA-N 499.857 7.997 50 10 JKGE C[C@]1(C(F)(F)F)C[C@H]1Oc1c(Br)cc(CBr)cc1Br 1909555558 GNLXXGKZNCCKAN-KOLCDFICSA-N 466.917 5.826 50 10 JKGE O=C(c1scc(Br)c1Br)N(Cc1ccccc1)[C@H](CCl)C1CC1 1915199246 VMPGQAAVSMBVKX-CQSZACIVSA-N 477.649 5.933 50 10 JKGE O=C(NC[C@H]1CC[C@H](CBr)CC1)c1csc(Br)c1Br 1922697634 GSNXFROIBWEFEU-KYZUINATSA-N 474.056 5.204 50 10 JKGE Cc1c(Br)sc([C@@H](Br)[C@@H](CC(C)C)C(C)C)c1Br 1922929002 FBWLOUYQIQRXAY-JQWIXIFHSA-N 461.101 7.336 50 10 JKGE Cc1c(Br)sc([C@H](Br)C[C@@H](C)CC(C)(C)C)c1Br 1922954235 MCAOEAFLYOHMMD-PSASIEDQSA-N 461.101 7.480 50 10 JKGE FC1(F)CCCC[C@@H]1[C@H](Br)c1c(Br)sc(Br)c1Cl 1923055723 XYYCPXPQYYGKIZ-VDTYLAMSSA-N 487.429 7.188 50 10 JKGE Cl[C@@H](c1ccc2c(c1)CCCC2)c1c(Br)sc(Br)c1Br 1924570687 LTAWSOXNKKNZFD-ZDUSSCGKSA-N 499.493 7.243 50 10 JKGE Cl[C@H](c1c(Br)sc(Br)c1Br)[C@@H]1C[C@H]2CCCC[C@H]21 1924616175 LZMNXCMRVRTSAT-NKIIXMILSA-N 477.487 7.142 50 10 JKGE O=C(NC[C@H]1CCC2(CCC2)[C@@H]1Br)c1scc(Br)c1Br 1924858331 XUBQXZZCESUJNX-PRHODGIISA-N 486.067 5.347 50 10 JKGE CC1(C)CC[C@]2(CCC[C@@H](CI)O2)[C@@H](CNC(=O)OC(C)(C)C)C1 1927123663 YHAWPFFCFCHMKE-ZRGWGRIASA-N 451.389 5.080 50 10 JKGE CCc1cc(Br)c([C@H](Cl)c2cc(Br)c(Br)s2)s1 1942098711 PIHLPRLWHFKOLP-SECBINFHSA-N 479.484 6.988 50 10 JKGE CN1CCC(N(Cc2ccccc2)c2ccc(CBr)c(Br)c2)CC1 1946826924 KRCTYLIAAHRCKF-UHFFFAOYSA-N 452.234 5.445 50 10 JKGE C[C@@]1([C@H](Cl)c2c(Br)sc(Br)c2Br)CCCOC1 2015962627 DXHCLQUBTPCLTG-LDYMZIIASA-N 467.448 6.132 50 10 JKGE Cc1sc([C@@H](Br)c2nn(C)c(Cl)c2Br)c(C)c1Br 2048155129 RMAJQLBAULRHLI-ZETCQYMHSA-N 477.447 5.761 50 10 JKGE Brc1ccccc1[C@@H](Br)CCc1ccc(I)cc1 2050532116 COJSQEXFYTWLDK-HNNXBMFYSA-N 479.981 6.123 50 10 JKGE O=C(N[C@H](CBr)c1cccs1)c1cc(Br)c(Br)s1 2055479304 LBAZBRIAONAEMD-SSDOTTSWSA-N 474.037 5.201 50 10 JKGE Clc1cc([C@H](Cl)c2cc(I)sn2)c(Cl)c(Cl)c1Cl 2056495063 ACIMIKCASAQAPV-ZETCQYMHSA-N 473.377 6.690 50 10 JKGE CC(C)C[C@@H](CBr)CNC(=O)c1scc(Br)c1Br 2057130176 FBPWELFIGLNZTB-QMMMGPOBSA-N 462.045 5.060 50 10 JKGE Cc1cc(Cl)c(Br)cc1[C@H](Br)c1nn(C)cc1Br 2082382776 RFOPHQPSWXTHKT-NSHDSACASA-N 457.391 5.391 50 10 JKGE CCOc1ccc(C)cc1[C@@H](Br)c1csc(Br)c1Br 2093942023 IQJSPWKJBSDEHE-GFCCVEGCSA-N 469.036 6.465 50 10 JKGE C[C@@H](N(Cc1ccccc1)S(=O)(=O)c1ccc(Br)c(CCl)c1)C(C)(C)C 2095909265 RJQAVOUFKGZRIE-OAHLLOKOSA-N 458.849 5.813 50 10 JKGE Fc1c(Br)ccc(Oc2ccc(CBr)cc2Br)c1F 2096331722 ZSRHWYFKPWGEDH-UHFFFAOYSA-N 456.906 6.177 50 10 JKGE C[C@@H]1Cc2cc([C@H](Cl)c3cc(I)sn3)cc(Br)c2O1 2120030636 XOOWWBZGBOBAMP-INWYIAFRSA-N 470.557 5.162 50 10 JKGE Cc1cc(Br)c([C@@H](Br)[C@@H]2CC23CC(F)(F)C3)cc1Br 2132886767 BBHWHOZKDVDSEW-JOYOIKCWSA-N 458.966 6.391 50 10 JKGE CN(c1cc(Br)ccc1CBr)[C@@H]1C[C@@H]2C[C@H](OCc3ccccc3)C[C@@H]21 2134012924 DJZBSMUDPRPPKY-WCCBULMPSA-N 479.256 6.164 50 10 JKGE CCN(C[C@](C)(CI)OC[C@H]1C[C@H]1C1CCCCC1)C(=O)OC(C)(C)C 2135790376 QNMZSRIJVKPPNT-LQWHRVPQSA-N 479.443 5.670 50 10 JKGE Cc1nsc(Br)c1[C@@H](Cl)c1c(Br)cc(F)c(Cl)c1F 2136966960 OYMUYVWEWZJTMZ-SECBINFHSA-N 451.945 6.236 50 10 JKGE Cl[C@H](c1cc(Br)c2c(c1)CCO2)c1ccc(Br)cc1Br 2146617854 AHNLLANRYFECSU-CQSZACIVSA-N 481.409 6.237 50 10 JKGE C[C@@H]1Cc2cc([C@H](Br)c3cccc(Br)c3Br)ccc2O1 2148751834 RNKMCESJBGFZDT-PSLIRLAXSA-N 460.991 6.019 50 10 JKGE ClCc1ccc(Br)c(Cl)c1N1CC[C@@H]2[C@@H](CCCN2Cc2ccccc2)C1 2154366625 YWZVYCBTGFNXCA-AZUAARDMSA-N 468.266 6.332 50 10 JKGE Cc1cc(S(=O)(=O)N(Cc2ccccc2)[C@H](C)c2cccs2)ccc1CBr 2179788653 FVZSLJGTRKYGOP-QGZVFWFLSA-N 464.450 5.904 50 10 JKGE CN(c1cc(CBr)sc1[N+](=O)[O-])[C@@H]1C[C@@H]2C[C@@H](OCc3ccccc3)C[C@H]21 2190557179 UMJUVSRYAITQOC-BURFUSLBSA-N 451.386 5.371 50 10 JKGE C[C@@]1(CC(CBr)(CBr)c2ccccc2Br)CCCOC1 2192689556 WDTVBACTKZIZCR-HNNXBMFYSA-N 469.055 5.684 50 10 JKGE COc1cc(C)c([C@@H](Cl)c2cc(Br)cc(Br)c2)cc1Br 2198733340 VDECEHVSNKWBGB-HNNXBMFYSA-N 483.425 6.619 50 10 JKGE COc1cc(C)c([C@@H](Br)c2ccc(F)c(Br)c2)cc1Br 2198736417 DQDUAGSWFNLUMC-HNNXBMFYSA-N 466.970 6.152 50 10 JKGE Cc1c(Br)ccc([C@H](Br)Cc2ccc(F)c(F)c2)c1Br 2203683261 GWOGBJLWLRGHLO-GFCCVEGCSA-N 468.961 6.477 50 10 JKGE CC[C@@H](Br)CN(Cc1ccccc1)Cc1c(Br)sc2ccccc12 2213028806 KGZFPJPQBHYGHR-MRXNPFEDSA-N 467.270 6.840 50 10 JKGE CCN(C(=O)c1csc(Br)c1Br)[C@H]1CCC[C@@H]1Br 2217698629 XHTWEURQOGXMLT-IUCAKERBSA-N 460.029 5.051 50 10 JKGE Cc1cc([C@H](Br)c2c(Br)cc(C)c(Br)c2C)cs1 2220151138 FNBHKINBFXGMPK-AWEZNQCLSA-N 453.037 6.683 50 10 JKGE Fc1cc(F)c([C@H](Cl)c2sccc2I)c(F)c1Br 2220507019 LBSYDGMBMDZHLC-VIFPVBQESA-N 467.475 5.861 50 10 JKGE FC(F)(F)[C@@H]1CCO[C@H]1[C@@H](Br)c1cc(Br)c(Br)s1 2223756859 IUMXDPMWXXEIDL-BTZDVCGTSA-N 472.946 5.677 50 10 JKGE Cc1ccc([C@@H](Cl)c2cc(Cl)c(Br)cc2F)cc1I 2224622395 QNFNOFHSKNSKKV-CQSZACIVSA-N 473.938 6.483 50 10 JKGE Fc1cc(Br)c(Br)cc1[C@@H](Cl)c1ccc(Br)c(Cl)c1 2225633840 LRWPOZNOIXDPEL-ZDUSSCGKSA-N 491.807 7.095 50 10 JKGE Brc1ccc(CN2C[C@@H](Br)CC23CCCC3)c(Br)c1 2232263896 VVRQLXCOENZLLV-ZDUSSCGKSA-N 452.028 5.494 50 10 JKGE Cc1cc(Br)c([C@H](Cl)c2ccc(Br)cc2F)c(C)c1Br 2235603762 KPDKNUDLUAGWIC-OAHLLOKOSA-N 485.416 7.058 50 10 JKGE COc1ccc([C@@H](Cl)c2cccc(Br)c2F)cc1I 2269551712 KLBTYHGYRJYIHR-CYBMUJFWSA-N 455.492 5.530 50 10 JKGE CC(C)(C)c1ccc(Oc2coc3cc(OC(=O)C(C#N)=Cc4ccccc4)ccc3c2=O)cc1 2293189759 CFONYBBRBFGQAS-UHFFFAOYSA-N 465.505 6.395 50 10 JKGE Cc1cccc(NC(=O)C(C#N)=Cc2cn(Cc3ccc(Cl)cc3)nc2-c2ccccc2)c1 2295366455 PXFCXWSVPIYAOA-UHFFFAOYSA-N 452.945 6.106 50 10 JKGE ClCc1cc(Cl)c(OCc2cc(Cl)ccc2I)c(Cl)c1 2296306412 GXFDNTGINYUNHI-UHFFFAOYSA-N 461.941 6.569 50 10 JKGE N#CC(=C(Nc1cccc(Cl)c1)SCc1ccccc1F)S(=O)(=O)c1ccccc1 2297350101 VTHSVXCKHGOBFB-UHFFFAOYSA-N 458.967 5.991 50 10 JKGE Brc1ccc(OCc2ccccc2)c([C@H](Br)[C@@H]2CCC23CCC3)c1 2299492063 HFCOFGGHKYTZCX-ICSRJNTNSA-N 450.214 7.044 50 10 JKGE Brc1cc(OCc2ccccc2)ccc1[C@@H](Br)[C@@H]1[C@@H]2CCCO[C@@H]21 2299493172 FYAFMWGLUOVBOT-FFGOWVMKSA-N 452.186 5.889 50 10 JKGE FC1(F)[C@H]2C[C@H]([C@H](Br)c3sc(Br)cc3Br)CC[C@H]21 2309100304 FRECNLQXQUJUJZ-JQCUSGDOSA-N 464.995 6.391 50 10 JKGE COc1ccc(NC(=O)C(C#N)=Cc2ccc(OCc3ccc(Br)cc3)cc2)cc1 2313510908 CPSHJQIMDFJFSY-UHFFFAOYSA-N 463.331 5.582 50 10 JKGE CCN(C[C@@](C)(CI)OC(CC1CC1)CC1CC1)C(=O)OC(C)(C)C 2313525759 ZYIXVZRLSSBNMT-HXUWFJFHSA-N 465.416 5.423 50 10 JKGE COc1cc(C=C(C#N)C(=O)Nc2ccc(C)cc2C)ccc1OCc1cccc(C(=O)O)c1 2313564869 CNZLOVPNUGBUAP-UHFFFAOYSA-N 456.498 5.135 50 10 JKGE N#CC(=Cc1cc(Cl)ccc1OCc1ccc(Cl)cc1)C(=O)Nc1cccc(Cl)c1 2313630503 AYFNUGYGFMMTKY-UHFFFAOYSA-N 457.744 6.771 50 10 JKGE N#CC(=Cc1ccc(OC(=O)c2ccc(Cl)cc2)cc1)C(=O)Nc1cccc(Cl)c1Cl 2313631220 MIQQHPPAVMINEG-UHFFFAOYSA-N 471.727 6.412 50 10 JKGE CCOc1ccc(NC(=O)C(C#N)=Cc2ccc(OCc3ccc(Cl)c(Cl)c3)cc2)cc1 2313724576 KEDBZZJIZFJSMI-UHFFFAOYSA-N 467.352 6.517 50 10 JKGE FC1(F)CC[C@@H]2[C@H]([C@H](Br)c3ccc(OCc4ccccc4)cc3Br)[C@@H]21 2314439265 GJIIBBCRNDFAGT-QXCFHYIPSA-N 472.167 6.755 50 10 JKGE CO[C@@H]1CCC[C@H]([C@H](Br)c2ccc(OCc3ccccc3)cc2Br)C1 2314446431 TYBSTKLPJYGOHM-FVJLSDCUSA-N 468.229 6.669 50 10 JKGE CCC[C@H](CC(C)C)[C@@H](Br)c1cc(Br)ccc1OCc1ccccc1 2314451150 CCMMUKMHCFCDSM-XMSQKQJNSA-N 468.273 7.927 50 10 JKGE Brc1cc(OCc2ccccc2)ccc1[C@@H](Br)[C@@H]1CC[C@H]2C[C@@H]1CO2 2314455653 QINLIDPZAJDSIU-AWQBJMPUSA-N 466.213 6.279 50 10 JKGE CCOc1cc(C=C2C(=O)N(Cc3ccccc3)C(=O)C(C#N)=C2C)ccc1OCc1ccccc1 2314618572 PVRPVERDNQDLGG-UHFFFAOYSA-N 478.548 5.457 50 10 JKGE CC1=C(C#N)C(=O)N(Cc2ccc(F)cc2)C(=O)C1=Cc1cn(-c2ccccc2)nc1-c1ccccc1 2314619545 AYBJSFAJMMMNBI-UHFFFAOYSA-N 488.522 5.471 50 10 JKGE Cc1cc(Cl)c(Br)cc1[C@@H](Br)c1csc(C)c1Br 2320488209 BKCCYSWQSNFDCO-CYBMUJFWSA-N 473.455 7.028 50 10 JKGE C[C@@H]1O[C@H](C)C[C@@]1(CBr)Cc1ccc(I)c(Br)c1 2325218786 RYYQQICBMNAPJH-BFVZDQMLSA-N 488.001 5.175 50 10 JKGE CCN(CC)C(=O)COc1ccc(C=NNC(=O)c2ccc(-c3ccc4ccccc4c3)s2)cc1 2325901846 GUJJNBSSNXDYIC-UHFFFAOYSA-N 485.609 5.579 50 10 JKGE CC(C)(C)OC(=O)N[C@@H](Cc1ccccc1)C(=O)NN=Cc1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1 2328827839 XAHNOARNZAIUCF-QHCPKHFHSA-N 495.664 5.573 50 10 JKGE CCOc1cc(C=C(C#N)c2nc(O)c3ccccc3n2)ccc1OCc1cccc(Cl)c1 2331029111 BBBHAVNYHQDEKE-UHFFFAOYSA-N 457.917 6.031 50 10 JKGE COc1ccc(C)cc1-c1csc(C(C#N)=C(O)C(=Cc2ccccc2)c2ccccc2)n1 2331322899 FWPHMVJMGJLPTC-UHFFFAOYSA-N 450.563 7.161 50 10 JKGE Cc1ccc(C(C)(C)C)cc1-c1csc(C(C#N)=C(O)c2ccc(Cl)c([N+](=O)[O-])c2)n1 2331397240 YZNMGQBBDGRRQE-UHFFFAOYSA-N 453.951 6.928 50 10 JKGE CCN[C@H](c1c(Cl)cc(Br)c(F)c1Br)[C@H]1C[C@H](Br)C1 2337108890 KJDRQDFWPXJUIR-MREMCGJQSA-N 478.425 5.828 50 10 JKGE Fc1c(Br)cc(Cl)c([C@@H](Br)[C@@H]2CC23CCCC3)c1Br 2337110390 AFBJGCIORQJIRE-CPCISQLKSA-N 475.421 7.020 50 10 JKGE Cc1ccc(C(CBr)(CBr)Cc2nc(Br)cs2)cc1 2342915945 ROHJKMZRLMZWOC-UHFFFAOYSA-N 468.052 5.484 50 10 JKGE CC(C)(C)OC(=O)N1CCC(CBr)(OCc2cc(F)c(Cl)cc2Cl)CC1 2349887384 QEMHIXGSDJTUFA-UHFFFAOYSA-N 471.194 5.814 50 10 JKGE COc1ccc(OCc2cc(Br)cc(Br)c2)c(CBr)c1 2362208772 DYTMOCRBVNLARD-UHFFFAOYSA-N 464.979 5.694 50 10 JKGE FC1(F)CC[C@@]2(C1)[C@@H](Oc1cc(Br)cc(Br)c1)C[C@H]2Br 2364222412 HQABSVZAKLNKJU-AGIUHOORSA-N 474.965 5.932 50 10 JKGE COCC1(C[C@@H](Br)c2c(C)cc(Br)c(OC)c2Br)CC1 2365189160 RWRBWMUMSZAUEK-LLVKDONJSA-N 471.027 5.781 50 10 JKGE Cc1cc(Br)c(F)c(Br)c1[C@@H](Br)C1CC(CC2CC2)C1 2365222433 CYZDGSYBOBIZBM-MGULZYLOSA-N 469.030 6.921 50 10 JKGE O=[N+]([O-])c1ccccc1C[C@@H](Br)c1ccc(Cl)cc1I 2365588986 PUHWCVHPOWVLON-GFCCVEGCSA-N 466.500 5.532 50 10 JKGE Cc1ccc(C[C@@H](CBr)Cc2ccc(Cl)cc2I)cc1 2366714442 IRJMAMMXBCOYEQ-CQSZACIVSA-N 463.584 6.049 50 10 JKGE CC(C)(C)OC(=O)N1C[C@H](I)[C@@H](OC[C@H](c2ccccc2)C2CCCC2)C1 2368354200 LFSQTTNCMDDIGM-AABGKKOBSA-N 485.406 5.400 50 10 JKGE CC(C)(C)Oc1ccc([C@@H](Br)c2ncsc2Br)cc1Br 2381298774 FHLHBYOUUSAXLI-LLVKDONJSA-N 484.051 6.330 50 10 JKGE COc1ccc([C@@H](C(=O)NC2CCCCC2)N(C(=O)CCl)c2cccc(Cl)c2C)cc1 3035307 AKEUEYXWWOVNLM-QHCPKHFHSA-N 463.405 5.419 50 10 JKGE CC[C@@H](Oc1ccc(-c2ccccc2)cc1)C(=O)NNC(=O)COc1ccccc1-c1ccccc1 14768298 HIFSAQYFMYHCQC-HHHXNRCGSA-N 480.564 5.404 50 10 JKGE COc1ccc(/C(C#N)=C\c2ccc(OC(=O)COc3ccc(Cl)cc3Cl)c(OC)c2)cc1 31902249 NVBDKYURVHNONW-WQRHYEAKSA-N 484.335 6.059 50 10 JKGE CC(/C=N\NC(=O)CSc1nc2ccccc2n1Cc1ccc(Cl)cc1)=C\c1ccccc1 33096977 MOWYVQVZQGKRBU-POPDPWEWSA-N 475.017 6.036 50 10 JKGE COc1ccc2nc(Cl)c(/C=C(/C#N)c3nc(-c4cc5ccccc5oc4=O)cs3)cc2c1 33391452 NHEQJJVYTDZJDR-MFOYZWKCSA-N 471.925 6.191 50 10 JKGE N#C/C(=C/c1cc([N+](=O)[O-])c(N2CCCCC2)cc1N1CCCCC1)c1nc2ccccc2[nH]1 33921317 LXDVBVJYZBELPX-HKWRFOASSA-N 456.550 5.516 50 10 JKGE C/C(=N/NC(=O)c1ccc(COc2ccccc2-c2ccccc2)cc1)c1ccc([N+](=O)[O-])cc1 34865436 JWBCHAFHEPXTNQ-BRPDVVIDSA-N 465.509 5.995 50 10 JKGE Cc1ccc(/C=C\C(=O)NNC(=O)c2ccc(NC(=O)c3ccc(C(C)(C)C)cc3)cc2)cc1 34933763 DNGIXLTYEKYBJQ-NVMNQCDNSA-N 455.558 5.019 50 10 JKGE CC(C)c1nc(N2CCN(C(=O)[C@H](Cl)c3ccccc3)CC2)c2c3c(sc2n1)C[C@@H](C)CC3 35865852 YYSHESIIZQTMRF-HTAPYJJXSA-N 483.081 5.568 50 10 JKGE CCCCC1CCC(C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@@H]3c2ccccc2OCCC)CC1 38700658 AVRIQCAORYGWKG-JQPIXXOSSA-N 488.628 6.596 50 10 JKGE CCCCC1CCC(C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@H]3c2ccc(OC)cc2)CC1 40530347 FBJYVZYFGGUTKC-OWRPTYIMSA-N 460.574 5.815 50 10 JKGE CCOC(=O)N/N=C1\CCCc2oc(C(=O)Nc3cc(Cl)ccc3Oc3ccccc3)c(C)c21 40825626 IOGAGBHISWHZEC-MTDXEUNCSA-N 481.936 6.073 50 10 JKGE COc1cc(/C=N\NC(=O)CC[C@H](O)c2ccccc2)cc(Cl)c1OCc1ccc(Cl)cc1 58889805 ZTBOZXRERYRFOI-WHXCVRPHSA-N 487.383 5.545 50 10 JKGE O=C(N/N=C/c1cn(Cc2ccccc2)c2ccccc12)c1cc2cc(Br)ccc2o1 59304046 BXQBURYVVZHYCF-MZJWZYIUSA-N 472.342 5.962 50 10 JKGE N#C/C(=C/c1ccccc1OCc1cccc(C(F)(F)F)c1)S(=O)(=O)c1ccc(Cl)cc1 96438446 GMNDSGDEZICGAQ-BKUYFWCQSA-N 477.891 6.276 50 10 JKGE O=C(NC1CCCCCC1)[C@@H](c1ccc(F)cc1Cl)N(CCC1=CCCCC1)C(=O)CCl 97915027 ZWIFDXFRFJOLBX-XMMPIXPASA-N 483.455 6.317 50 10 JKGE Cl[C@@H](c1ccc(I)cc1)c1cc(Br)ccc1Br 104029640 UYIMIFLXCVUVBY-ZDUSSCGKSA-N 486.372 6.144 50 10 JKGE CCOc1ccc(Br)cc1[C@H](Br)c1ccc(OC)c(Br)c1 109871647 MLECPTBNSOARKH-MRXNPFEDSA-N 479.006 6.103 50 10 JKGE Brc1ccc(Br)c([C@H](Br)CC23CC4CC(CC(C4)C2)C3)c1 124377627 MQBNBRLFNXYEOP-FQWGAIOXSA-N 477.078 7.254 50 10 JKGE Brc1cc([C@H](Br)[C@@H]2COc3ccccc3O2)sc1Br 128273420 DROWLGATEBGJOK-CMPLNLGQSA-N 468.992 5.549 50 10 JKGE CCCC1CCC(CI)(OCc2ccc(Br)cc2)CC1 162527305 PHBUWFMOSJNJCJ-UHFFFAOYSA-N 451.186 6.130 50 10 JKGE Cc1cc(Br)c([C@@H](Br)[C@H]2C[C@@H]2c2ccccc2)cc1Br 164447036 LGOOZKKIIXQIIQ-IGCXYCKISA-N 459.019 6.760 50 10 JKGE CCCCOc1ccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)/C=C\c4ccccc4)ccc32)cc1 205642841 IUZKZBMPLFQWBJ-PPGHNPIWSA-N 466.537 5.702 50 10 JKGE C[C@@H](NC(=O)/C(C#N)=C\Nc1cc(C(F)(F)F)cc(C(F)(F)F)c1)C12CC3CC(CC(C3)C1)C2 217050463 OAAPZITUTXCCPL-LSXFSIBFSA-N 485.472 6.265 50 10 JKGE BrCc1ccc(Oc2cccc(I)c2)cc1Br 232487068 FUIWWLYMYMJRML-UHFFFAOYSA-N 467.926 5.741 50 10 JKGE CC(=O)O[C@H]1CC[C@]2(C)[C@@H]3CC[C@]4(C)[C@H]([C@H](C)[C@@H]5O[C@H]5[C@@H](C)C(C)C)CC[C@@H]4[C@@]34CC[C@@]2(C1)OO4 254396614 TUUMXOVLVDUNHM-RUIXYEGYSA-N 488.709 6.480 50 10 JKGE O=C(NN=Cc1ccc(N2N=C(/C=C\c3ccccc3)C[C@H]2c2ccccc2)cc1)c1ccncc1 254420789 WLZZNVJPWDXDQS-QTTVIKKFSA-N 471.564 5.866 50 10 JKGE COc1cc2c(cc1NC(=O)CC(C)=NNC(=O)c1cccc3ccccc13)oc1ccccc12 254491656 DGLLBYRBNAMWPX-UHFFFAOYSA-N 465.509 5.882 50 10 JKGE Cc1ccccc1C[C@@H](C(=O)NN=Cc1cccc(OCc2cccc3ccccc23)c1)c1ccccc1 254735232 UFSKKMFCSQZXMD-MGBGTMOVSA-N 498.626 7.204 50 10 JKGE Cc1nn(-c2ccccc2)c(C)c1-c1cc(C(=O)NN=C/C(Br)=C\c2ccccc2)[nH]n1 263630647 SXYOWFZVBWAIFW-KUXZBIACSA-N 489.377 5.031 50 10 JKGE C[C@@H](CCn1c(CCl)nc2cc(I)ccc21)N(C)Cc1ccccc1 379612810 VMWOHHKLVPXHMR-HNNXBMFYSA-N 467.782 5.290 50 10 JKGE Fc1ccc(Br)c([C@H]2CN(Cc3ccccc3)C[C@H]2CI)c1 382693104 PXJGRNQFJIBENM-PBHICJAKSA-N 474.155 5.239 50 10 JKGE COc1cc(Br)ccc1Oc1ccc(CBr)c(Br)c1 388354208 GCZZKLKYGQPOHK-UHFFFAOYSA-N 450.952 5.907 50 10 JKGE C[C@H](Br)CC(C)(C)CNC(=O)c1ccc(Br)cc1Br 393549309 AAHWHBXYPLGUJK-VIFPVBQESA-N 456.016 5.141 50 10 JKGE O=P(C/C=C\CP(=O)(c1ccccc1)c1ccccc1)(c1ccccc1)c1ccccc1 575328878 UPYDBNXBHCXBPS-YPKPFQOOSA-N 456.462 5.571 50 10 JKGE ClCc1nc2cccc(Br)c2n1-c1cc(Cl)ccc1I 697677392 ALDUBVCSFDJFSR-UHFFFAOYSA-N 481.946 5.785 50 10 JKGE CCn1cc([C@@H](Br)c2cc(Br)c(Cl)s2)nc1Br 698496813 KCNVXVWZGRDPAY-MRVPVSSYSA-N 463.420 5.627 50 10 JKGE BrCc1ccc(Br)cc1OCCOc1cccc(Br)c1 700991739 KXFHLONZMBLUPN-UHFFFAOYSA-N 464.979 5.564 50 10 JKGE Clc1cccc(COc2cc(Br)ccc2CBr)c1Br 719393831 KEKZWQISTYWCCE-UHFFFAOYSA-N 469.398 6.339 50 10 JKGE C=CCc1cc(C=NNC(=O)CC[C@H](O)c2ccccc2)cc(OC)c1OCc1cccc(F)c1 1084016771 BXJBZULCENAYCU-VWLOTQADSA-N 476.548 5.106 50 10 JKGE CC(=NNC(=O)COc1ccc(Br)c(C)c1)C(c1ccccc1)c1ccccc1 1084111893 JSDQMMARWJCFID-UHFFFAOYSA-N 451.364 5.461 50 10 JKGE Cc1cc(C)c2[nH]c(-c3ccccc3)c(/C=C(/C#N)C(=O)Nc3cccc(Br)c3)c2c1 1084146947 AYEGRMVZKUQHIM-UYRXBGFRSA-N 470.370 6.760 50 10 JKGE CCCCCOc1ccccc1C(=O)NN=C1C(=O)N(C/C=C\c2ccccc2)c2ccccc21 1084164252 AYSABEBNVNKYBX-HQBLJXFJSA-N 467.569 5.450 50 10 JKGE O=C(NN=Cc1cc(Cl)c(OCc2ccc([N+](=O)[O-])cc2)c(Cl)c1)c1cc2ccccc2o1 1084318871 GXTOXFJOJYLOBW-UHFFFAOYSA-N 484.295 5.991 50 10 JKGE COc1ccc(-c2nn(Cc3ccccc3)c3c2[C@@H](c2cccc4ccccc24)C(C#N)=C(N)O3)cc1 1865682455 OQCHCXXJAHYAKG-MHZLTWQESA-N 484.559 5.978 50 10 JKGE CCCCCOc1c(Br)cc([C@@H]2C(C#N)=C(N)Oc3c2c(CC)nn3CC)cc1OC 1865691957 GCZRROVKKVJUQX-LJQANCHMSA-N 489.414 5.024 50 10 JKGE CCOc1cc([C@@H]2C(C#N)=C(N)Oc3c2c(CC)nn3-c2ccccn2)ccc1OCc1ccccc1 1865694615 XVXMZWXMRGFXEO-AREMUKBSSA-N 493.567 5.026 50 10 JKGE COc1cccc([C@H]2C(C#N)=C(N)Oc3c2c(C)nn3-c2ccccc2)c1OCc1cccc(C)c1 1865705449 WBMRQUHIYXUWHF-SANMLTNESA-N 478.552 5.295 50 10 JKGE Cc1ccc(C(C)(C)CCC(=O)N[C@@H](Cc2ccccc2)C(=O)Nc2ccc(SC#N)cc2)cc1 1866790526 BGGFCROTYHUPSV-SANMLTNESA-N 485.653 5.992 50 10 JKGE CC(C)c1nc(Nc2ccc(SC#N)cc2)cc(N2CCC[C@@H]2c2nc3ccccc3s2)n1 1868231891 VWVYDLJSFCBXMA-HXUWFJFHSA-N 472.643 6.868 50 10 JKGE COc1cc2nc(/C(C#N)=C/c3ccc(OCc4ccccc4C)cc3)nc(O)c2cc1OC 1872727536 IJQQWZWKFYIAPV-UDWIEESQSA-N 453.498 5.304 50 10 JKGE CC[C@@H](C)[C@@H](/C(O)=C(\C#N)c1nc(-c2cccc(Cl)c2)cs1)N1C(=O)c2ccccc2C1=O 1872748458 YAQRHXZJDJPWEM-UDGWVDNDSA-N 477.973 5.967 50 10 JKGE CCCOc1ccc(-c2csc(/C(C#N)=C(O)/C=C/c3ccc(Cl)cc3Cl)n2)cc1 1872749257 ITRPBFXFSPIMFL-XXAHJDPLSA-N 457.382 7.412 50 10 JKGE CCCCOc1ccc(/C(O)=C(\C#N)c2nc(-c3ccc(OC)c(F)c3)cs2)cc1OCC 1872752816 UBXGCOPWRWMYCK-MOHJPFBDSA-N 468.550 6.485 50 10 JKGE COc1c(Cl)cc(Cl)cc1-c1csc(/C(C#N)=C(O)/C=C/c2ccc([N+](=O)[O-])cc2)n1 1872754422 RPWSBPRRZLQXKZ-NHPATHQUSA-N 474.325 6.540 50 10 JKGE CCOc1ccc(OCC)c(-c2csc(/C(C#N)=C(\O)COc3c(C)ccc(C)c3C)n2)c1 1872754738 GQSNKNAWHHZQLJ-LNVKXUELSA-N 464.587 6.404 50 10 JKGE COc1cc(Br)cc(/C=C(\C#N)c2nc(-c3ccc(Cl)c(Cl)c3)cs2)c1O 1872790481 LLGHOUIWHRTWGX-UUILKARUSA-N 482.186 6.658 50 10 JKGE CC(C)C[C@H](NC(=O)OC(C)(C)C)C(=O)N/N=C/c1cccc(OCc2ccccc2Cl)c1 1873793314 IMWPYDPBRKMWFY-QYJQOTDOSA-N 474.001 5.309 50 10 JKGE COCCCN1C(=O)c2ccc(/C(O)=C(\C#N)c3nc(-c4ccc5ccccc5c4)cs3)cc2C1=O 1873940709 DHNWPBMJNFVQPD-BZZOAKBMSA-N 495.560 5.546 50 10 JKGE Cc1nsc(Br)c1[C@H](Br)c1cc(Br)cc2c1OCCC2 1912932185 MHILQUHXTZLCFV-GFCCVEGCSA-N 482.035 5.786 50 10 JKGE CN(C[C@H](Br)COCc1ccccc1)C(=O)c1ccc(OCc2ccccc2)cc1 1916355478 VCOOEVBABXCUPC-QHCPKHFHSA-N 468.391 5.318 50 10 JKGE COc1cc(Br)ccc1[C@H](Cl)c1sc(Br)c(C)c1Br 1922896972 JTSXCBWWPXBMPB-NSHDSACASA-N 489.454 6.681 50 10 JKGE Cc1ccc([C@@H](Br)c2sc(Br)cc2Br)cc1Cl 1922934601 IFXSXPNBNSRNAQ-LLVKDONJSA-N 459.428 6.719 50 10 JKGE CCn1cc([C@@H](Br)[C@@H](C)c2ccncc2Br)nc1Br 1924056778 NMGLFVVXFPXYAG-UFBFGSQYSA-N 451.988 5.063 50 10 JKGE C[C@](CCCC[C@H]1CCSS1)(NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)O 1951708202 IASGEBOFROMRMR-SSOJOUAXSA-N 471.644 6.083 50 10 JKGE CC(C)[C@H](CBr)N(Cc1ccccc1)Cc1ccc(Cl)c(Br)c1 1979518306 SVGWGXOCJSEWAF-IBGZPJMESA-N 459.653 6.524 50 10 JKGE CN[C@@H](c1c(Br)sc(Br)c1Br)[C@H]1C[C@H](Br)C1 1991429701 MJNULYAAKPPPBV-OKMMGKLZSA-N 496.888 5.470 50 10 JKGE CCCN[C@H](c1c(Br)sc(Br)c1Br)[C@H]1C[C@H]1Cl 2020444621 APPFMVGAUAHAMC-MYINAIGISA-N 466.464 5.704 50 10 JKGE Cc1cc(C(=O)N(Cc2ccccc2)[C@H](CCl)C(C)C)ccc1I 2026130421 GRYWMPWIKHGKJE-LJQANCHMSA-N 455.767 5.505 50 10 JKGE CCc1cc(Br)c([C@@H](Br)Cc2cccc(Br)c2)s1 2029233032 OGYHUHDZNNWFTG-LBPRGKRZSA-N 453.037 6.514 50 10 JKGE ClCCc1nc2cc(I)ccc2n1[C@H]1CC[C@H]1OCc1ccccc1 2038730917 YCKGLWRTVFXXPK-RBUKOAKNSA-N 466.750 5.343 50 10 JKGE Cc1cc2sc([C@H](Br)c3cc(Br)sc3Br)cc2s1 2038894356 ASDUWHKBUFHCGI-LLVKDONJSA-N 487.101 7.342 50 10 JKGE COc1cc(C=C(C#N)c2nnc3n2CCCCC3)ccc1OCc1c(C)cc(C(C)(C)C)cc1C 2040446446 HPCKRHGABCLPKA-UHFFFAOYSA-N 484.644 6.571 50 10 JKGE CCN(C[C@@](C)(CBr)OCc1cc(Cl)cc(Cl)c1)C(=O)OC(C)(C)C 2077242279 DZUYLGDNVXEUDJ-GOSISDBHSA-N 455.220 5.921 50 10 JKGE COCC1([C@@H](Br)c2cc(Br)ccc2Br)CCCCC1 2094187328 JUOAKNRQHIFKIJ-AWEZNQCLSA-N 455.028 6.245 50 10 JKGE CCC(F)(F)CCC(CBr)(CBr)c1cccc(Br)c1 2097129095 QXLFZDKBIZHEGX-UHFFFAOYSA-N 462.998 6.302 50 10 JKGE Cc1cc(Br)c(F)c(C[C@H](Br)c2cccc(Br)c2)c1 2113492585 CHCHFCBIAGRJJL-ZDUSSCGKSA-N 450.971 6.338 50 10 JKGE CO[C@@H]1CC([C@@H](Br)c2cc(Br)ccc2Br)C[C@H]1OC 2118278116 CVZZBNDHGLCGGB-MGPQQGTHSA-N 457.000 5.088 50 10 JKGE Cc1cc(Br)c([C@H](Br)[C@H]2C[C@H]2C2CCCC2)cc1Br 2135274796 YNRJAKVQFCFIJF-MQIPJXDCSA-N 451.040 6.782 50 10 JKGE Clc1cc(CN2[C@H]3CC[C@H]2CC(CBr)C3)ccc1I 2142950295 QFJLZJSGMZEIIT-STQMWFEESA-N 454.577 5.083 50 10 JKGE COc1ccc(OCc2c(Br)cccc2Br)c(CBr)c1 2150487831 KFOKZWKMGFIZQB-UHFFFAOYSA-N 464.979 5.694 50 10 JKGE CC(C)(C)OC(=O)N1CCN(CC2(CBr)CCCCCC2)C[C@@H]1C(F)(F)F 2186714526 IELGWXBGYNIYPA-OAHLLOKOSA-N 457.375 5.206 50 10 JKGE CC(C)(C)CC1CC(O[C@@H](CI)c2ccccc2Br)C1 2188310309 ZYAWPNDEUIYIFJ-ZUEPYMLJSA-N 451.186 6.157 50 10 JKGE CC(C)C(CC(CBr)(CBr)c1ccc(Br)cc1)C(C)C 2189104181 GMHREYCQOYKHBP-UHFFFAOYSA-N 469.099 6.795 50 10 JKGE FC1(F)CCC[C@H](O[C@@H](CI)c2ccc(Br)cc2)CC1 2207037004 GOVMPOAURUIHTH-KBPBESRZSA-N 459.112 5.910 50 10 JKGE Cc1ccc(I)c([C@@H](Br)c2cc(Br)sc2C)c1 2217420822 KYVQKIQFTMAKCS-ZDUSSCGKSA-N 486.010 6.216 50 10 JKGE Cc1ccc([C@@H](Br)c2cc(Cl)ccc2Cl)cc1I 2217861358 REACQKSFLWUEER-CQSZACIVSA-N 455.948 6.391 50 10 JKGE Cc1sc(Br)c(C)c1[C@@H](Br)c1cccc(Br)c1F 2218800130 IQGOVLUQXDOQPB-NSHDSACASA-N 457.000 6.513 50 10 JKGE Clc1cc(Cl)cc(C[C@H](Br)c2sc(Br)cc2Br)c1 2224021228 ZUMQLCHJNKNPTP-VIFPVBQESA-N 493.873 7.259 50 10 JKGE CCc1nn(C)c([C@@H](Br)c2sc(Br)c(C)c2C)c1Br 2225848350 OYOMVBIKYWKYGO-SNVBAGLBSA-N 471.056 5.670 50 10 JKGE CCCCCc1ccc([C@@H](Br)c2ccc(C)c(I)c2)s1 2232837569 VGYGAMNFVKAXSV-KRWDZBQOSA-N 463.222 6.878 50 10 JKGE CCOCc1cc(Br)c([C@@H](Br)c2ccc(Br)c(F)c2)s1 2233018934 GJEZUGXLYRCJMS-ZDUSSCGKSA-N 487.026 6.433 50 10 JKGE COc1cc(Br)c([C@@H](Br)c2sc(C)c(Br)c2C)cc1C 2236007492 JIFHBJMGLPNJEY-CQSZACIVSA-N 483.063 6.691 50 10 JKGE Cc1cc(Br)c(CCl)c(OCCOCCOCCOCc2ccccc2)c1 2236086648 YWELEHJIMJMHLN-UHFFFAOYSA-N 457.792 5.125 50 10 JKGE Cc1cccc(Oc2cc(Br)ccc2CBr)c1I 2263450094 ICBQTNWQLCUGIR-UHFFFAOYSA-N 481.953 6.049 50 10 JKGE CCc1cc(Br)c([C@H](Br)c2cc(F)c(Br)cc2F)s1 2267243507 XFNJQBPLZCLEKT-GFCCVEGCSA-N 474.990 6.598 50 10 JKGE COc1ccc([C@H](Br)c2cc(Cl)sc2Cl)c(Br)c1Cl 2268265097 BDPAFLFNRAFPGF-VIFPVBQESA-N 465.421 6.964 50 10 JKGE Cc1cc(Cl)c([C@H](Br)c2ccc(Cl)c(I)c2)cc1C 2268276663 IVGVMMOYLOYYJB-OAHLLOKOSA-N 469.975 6.699 50 10 JKGE C=CC[C@]1(CBr)CCCN1C(=O)c1scc(Br)c1Br 2272173315 MOKRYRBBXXHILK-CYBMUJFWSA-N 472.040 5.219 50 10 JKGE COc1ccc([C@H](Br)[C@@H]2CC[C@]3(C2)CC3(F)F)cc1I 2284998764 MRCWVNWEDGTCNN-SWHYSGLUSA-N 457.096 5.561 50 10 JKGE Cc1cc(Cl)c(Cl)cc1[C@H](Br)c1cc(Cl)c(Br)cc1F 2286505044 RALHQIUFLUHIHI-AWEZNQCLSA-N 461.383 7.341 50 10 JKGE Cc1cc(Br)c(C)c([C@@H](Br)C2CC3(CC(F)C3)C2)c1Br 2287693618 AILMVPZWVSBLKL-SQGCJCFSSA-N 469.030 6.793 50 10 JKGE CC(C)(C)CCN(CCBr)C(=O)c1cc(Br)cc(Br)c1 2289865856 DITLUYDFFOBYTA-UHFFFAOYSA-N 470.043 5.485 50 10 JKGE COc1ccc(C=CC(=O)Oc2cccc(C=NNC(=O)c3ccc(C(C)(C)C)cc3)c2)cc1 2295148785 YQVVFALVCXYOAE-UHFFFAOYSA-N 456.542 5.375 50 10 JKGE COc1ccc([C@@H](Br)c2cc3sc(Br)cc3s2)cc1Cl 2295494026 SFLMGNQVIMGGOI-CQSZACIVSA-N 452.620 6.872 50 10 JKGE N#CC(C1=N[C@H](c2ccccc2)[C@H](c2ccccc2)O1)=C1N[C@@H](c2ccccc2)[C@H](c2ccccc2)O1 2296602453 MMDOSCUBNVZLAW-XJYHXZFBSA-N 483.571 6.735 50 10 JKGE Cc1cc(C=C(C#N)C(=O)Nc2cccc(C(F)(F)F)c2)c(C)n1-c1ccc(Br)cc1 2297368467 KPFRSDKNCLZCSE-UHFFFAOYSA-N 488.307 6.421 50 10 JKGE COC1CC(C[C@H](Br)c2ccc(OCc3ccccc3)cc2Br)C1 2299487901 AUFSYRJXQPOLMP-KVWWFHCMSA-N 454.202 6.279 50 10 JKGE Cn1ncc(Cl)c1[C@@H](Br)c1ccc(OCc2ccccc2)cc1Br 2299534550 FEXCHBKUULOMET-KRWDZBQOSA-N 470.592 5.899 50 10 JKGE Fc1c(Br)cc(Cl)c([C@@H](Br)C2(Cl)CCC2)c1Br 2300169482 YWUCBLNGZQVZDQ-SNVBAGLBSA-N 469.801 6.602 50 10 JKGE CCOc1cc(C=C(C#N)C(=O)Nc2ccc(C)c(C)c2)ccc1OCc1ccccc1Cl 2313511225 UZPRMNLZOIUGEJ-UHFFFAOYSA-N 460.961 6.480 50 10 JKGE CCOc1cc(C=C(C#N)C(=O)Nc2ccccc2C)cc(Cl)c1OCc1ccccc1Cl 2313541083 QJYUKBBZYAYPLE-UHFFFAOYSA-N 481.379 6.825 50 10 JKGE CCOc1ccc(-n2c(C)cc(C=C(C#N)C(=O)Nc3cccc(Cl)c3Cl)c2C)cc1 2313571373 USHXALDSZFWYSP-UHFFFAOYSA-N 454.357 6.345 50 10 JKGE CCOc1cc(C=C(C#N)C(=O)Nc2ccc(CC)cc2)ccc1OCc1cccc(Cl)c1 2313676824 LYDUMMZYUXZZQP-UHFFFAOYSA-N 460.961 6.426 50 10 JKGE CC1([C@H](Br)c2ccc(OCc3ccccc3)cc2Br)CCCCCC1 2314439769 JZONXNQZWFMRFJ-OAQYLSRUSA-N 466.257 7.825 50 10 JKGE CCc1ccc(N2C(=O)[C@@H](Cc3ccccc3F)SC2=C(C#N)C(=O)Nc2ccc(C)cc2)cc1 2314592220 OCXJHHHOQYSUQI-RUZDIDTESA-N 485.584 5.762 50 10 JKGE CC(C)c1ccc(N2C(=O)[C@@H](Cc3ccccc3)SC2=C(C#N)C(=O)N[C@H](C)c2ccccc2)cc1 2314593660 QPFGDLISSQBZKP-JIPXPUAJSA-N 495.648 6.114 50 10 JKGE CCCOc1ccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)C=Cc4ccc(OC)cc4)ccc32)cc1 2314634006 ANYOMCVZMMXRIL-NDEPHWFRSA-N 482.536 5.321 50 10 JKGE CCOc1ccc(C=C(C#N)C(=O)Nc2nc(-c3ccc(Br)cc3)c(C)s2)cc1OC 2314777732 RVAAJZKFHBYMAW-UHFFFAOYSA-N 498.402 5.834 50 10 JKGE CCc1sc(Br)cc1[C@H](Cl)c1ccc(Cl)cc1I 2317778095 KQSMQIATSAOUIB-CYBMUJFWSA-N 476.004 6.659 50 10 JKGE CCCCc1ccc(NC(=O)C(C#N)=CN2CCN(C(c3ccccc3)c3ccccc3)CC2)cc1 2318455176 NZNQNIZBIUYMAB-UHFFFAOYSA-N 478.640 5.782 50 10 JKGE COc1ccc(C(C#N)=Cc2cccc(OC(=O)C=Cc3ccc(Cl)cc3Cl)c2)cc1OC 2320510763 BREXBSWFFIUFGA-UHFFFAOYSA-N 480.347 6.694 50 10 JKGE CC(C)C1CC(CBr)(Cc2ccc(I)c(Br)c2)C1 2325236024 CRGJHKJBUZLRIX-UHFFFAOYSA-N 486.029 6.044 50 10 JKGE Cc1c(C(O)=C(C#N)c2nc(-c3ccc(-c4ccccc4)cc3)cs2)cc([N+](=O)[O-])cc1[N+](=O)[O-] 2331232354 DZVVUIMGMJKOGJ-UHFFFAOYSA-N 484.493 6.552 50 10 JKGE CC(C)COc1cccc(C(O)=C(C#N)c2nc(-c3ccc(Br)cc3)cs2)c1 2331260205 OKPCYAXXOHNCKH-UHFFFAOYSA-N 455.377 6.557 50 10 JKGE COc1ccc(C=C(C(O)=C(C#N)c2nc(-c3ccc(F)cc3F)cs2)c2ccccc2)cc1 2331286653 UONCNHLHGMTCOJ-UHFFFAOYSA-N 472.516 7.130 50 10 JKGE CCCCOc1ccc(C(O)=C(C#N)c2nc(-c3ccc4c(c3)OCO4)cs2)cc1OCC 2331334886 RXFYHQKHVSJZMX-UHFFFAOYSA-N 464.543 6.066 50 10 JKGE COc1c(Cl)cc(-c2csc(C(C#N)=C(O)[C@@H](C)Oc3ccc(C(C)C)cc3)n2)cc1Cl 2331397637 SHWHUOQPBYBNFR-CQSZACIVSA-N 489.424 7.509 50 10 JKGE Fc1c(Br)cc(Cl)c([C@H](Br)[C@@H]2C[C@H]3CC[C@H]2C3)c1Br 2337092647 UCTGCTHOXATDKF-OUDXYJABSA-N 475.421 6.876 50 10 JKGE C[C@H](C1CCCC1)[C@H](Br)c1c(Cl)cc(Br)c(F)c1Br 2337113590 YPSPEPIHVUKGSF-KRTXAFLBSA-N 477.437 7.266 50 10 JKGE C[C@H]1CCC[C@@](CBr)(Cc2ccc(Cl)c(I)c2)CC1 2337227470 LGXPHLNJGQWBHP-LRDDRELGSA-N 455.605 6.469 50 10 JKGE Brc1coc([C@H](Br)c2cc3c(cc2Br)OCCC3)c1 2343579612 CWYFTGDULHAHFS-CQSZACIVSA-N 450.952 5.614 50 10 JKGE Cl[C@@H](c1cc(I)sn1)c1cc2c(cc1Br)OCCC2 2343594700 LGZJKNNMRQDRAT-CYBMUJFWSA-N 470.557 5.163 50 10 JKGE ClC[C@@H](NCc1ccc(I)c(Br)c1)C1CCCCC1 2349833070 QOMIJLUDPWMJMZ-OAHLLOKOSA-N 456.593 5.331 50 10 JKGE C[C@H]1CCC[C@](CBr)(OCc2cc(I)ccc2Cl)C1 2352253671 NJJDCXXBHYNCOI-NHYWBVRUSA-N 457.577 5.805 50 10 JKGE CCOc1ccc([C@@H](Br)c2c(Br)nc(C)n2C)cc1Br 2362482852 JPHOKQSMZLFYED-GFCCVEGCSA-N 466.999 5.137 50 10 JKGE COc1c(Br)cc(C)c([C@@H](Br)CC2CC(F)(F)C2)c1Br 2365216057 QKFHNRSVQHUDMN-VIFPVBQESA-N 476.981 6.400 50 10 JKGE BrCc1cc(Br)cc(Br)c1OCC[C@@H]1CC[C@H]1C1CC1 2368464225 JYXOEXDYEUGBGR-FZMZJTMJSA-N 467.039 6.312 50 10 JKGE O=C(OCc1ccccc1)N1CC(Nc2cccc(S(F)(F)(F)(F)F)c2)(C(=O)O)C1 2371287872 ODTMNKXSYZFPSI-UHFFFAOYSA-N 452.401 5.232 50 10 JKGE Fc1ccc(OCc2cc(I)ccc2Cl)c(CBr)c1Cl 2380354408 YTRQHICQFYNXRF-UHFFFAOYSA-N 489.937 6.211 50 10 JKGE Cc1nsc(Br)c1-n1c(CCl)nc2cc(Br)c(Cl)cc21 2380355395 ODRBZNMHTFZLSB-UHFFFAOYSA-N 455.990 5.708 50 10 JKGE Cc1ccc(CCl)c(OCc2ccc(Cl)c(I)c2)c1Br 2380677672 ATHQXINKCJCGJL-UHFFFAOYSA-N 485.974 6.333 50 10 JKGE O=C(NC1CCCCC1)[C@H](c1ccc(F)cc1)N(CCc1ccc(Cl)cc1)C(=O)CCl 3038341 YRXZLBJYGLQBDN-QHCPKHFHSA-N 465.396 5.279 50 10 JKGE COc1cc(/C=N/NC(=O)N2c3ccccc3Sc3ccccc32)cc(Br)c1O 3637779 KEVMSJGXQPYIPI-FSJBWODESA-N 470.348 5.510 50 10 JKGE N#C/C(=C\c1ccc(OCC(=O)Nc2ccccc2F)c(Cl)c1)c1ccc(Br)cc1 9324443 OGAZXFRNTXKYQE-GZTJUZNOSA-N 485.740 6.323 50 10 JKGE C[C@@H](Oc1ccc(-c2ccccc2)cc1)C(=O)NNC(=O)c1sc2ccccc2c1Cl 14038597 BRSICKHQVHCZJO-OAHLLOKOSA-N 450.947 5.450 50 10 JKGE Cc1ccc(N/C(SCc2c(F)cccc2Cl)=C(/C#N)S(=O)(=O)c2ccccc2)c(C)c1 20325209 QXGGTZJSNAXUBO-WCWDXBQESA-N 487.021 6.608 50 10 JKGE O=C(c1ccc(Oc2ccccc2)cc1)[C@@H](Br)[C@H](Br)c1ccccc1 33353957 YPFAMAILJHNSEM-UXHICEINSA-N 460.165 6.561 50 10 JKGE COc1ccc(/C=C(/C#N)C(=O)Nc2ccc(Cl)cc2[N+](=O)[O-])cc1OCc1ccccc1 33930160 GXSQKZINPSMVKM-WQRHYEAKSA-N 463.877 5.381 50 10 JKGE CCCCOc1cccc(-c2nn(-c3ccccc3)cc2/C=C(/C#N)S(=O)(=O)c2ccccc2)c1 35446841 RPIUEWKZSPGWAL-DIBXZPPDSA-N 483.593 6.057 50 10 JKGE N#C/C(=C/c1cc([N+](=O)[O-])ccc1OCC(=O)Nc1ccccc1)c1nc(-c2ccccc2)cs1 35519556 WJTMFUOFHVTNEG-MOSHPQCFSA-N 482.521 5.800 50 10 JKGE CCCCOc1ccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)COc4ccccc4)ccc32)cc1 38650769 UOFKAULAIPUSTI-HHHXNRCGSA-N 470.525 5.068 50 10 JKGE CCCCCOc1ccc(C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@H]3c2cccc(Cl)c2)cc1 38651200 FUEOERKAHYRDLI-SANMLTNESA-N 488.971 6.346 50 10 JKGE C=CCOc1ccc(C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@@H]3c2cccc(Cl)c2)cc1 38651203 QLXCPBDVGOEJPI-XMMPIXPASA-N 458.901 5.342 50 10 JKGE CCOc1ccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4cccc(Cl)c4)ccc32)cc1OC 38659640 FBSJHQURWPXJCE-XMMPIXPASA-N 476.916 5.185 50 10 JKGE COc1ccccc1NC(=O)c1oc2c(c1C)/C(=N/NC(=O)c1ccccc1Br)CCC2 40812921 JVDQLMKLHCVJLY-OVVQPSECSA-N 496.361 5.082 50 10 JKGE CCCCOc1ccc(/C=C(\C#N)C(=O)Nc2sc(C(=O)OCC)c(C)c2C(=O)OCC)cc1 40864778 MSSOXPCDTLSWOM-NBVRZTHBSA-N 484.574 5.135 50 10 JKGE COc1cc(/C=C(\C#N)C(=O)NCc2ccco2)ccc1OC(=O)c1ccc(-c2ccccc2)cc1 40884630 VXWBOEJQIHHUON-LFVJCYFKSA-N 478.504 5.398 50 10 JKGE N#C/C(=C/c1cn(Cc2ccc(Cl)cc2Cl)c2ccccc12)C(=O)NCc1ccco1 58826047 SJGWUWVZAVLHEU-YVLHZVERSA-N 450.325 5.813 50 10 JKGE COc1cc(/C=C(/C#N)C(=O)Nc2cccc(C(F)(F)F)c2)ccc1OC(=O)c1ccc(C)cc1 96504350 BELKHIMGTZMJLA-UNOMPAQXSA-N 480.442 5.787 50 10 JKGE Fc1cc(Br)c(Cl)cc1[C@H](Cl)c1ccccc1I 97894997 OOVXMAXNLKPLFO-CYBMUJFWSA-N 459.911 6.174 50 10 JKGE CCOc1ccc(N2C(=O)[C@H](Cc3ccccc3)S/C2=C(/C#N)C(=O)N[C@@H](C)c2ccccc2)cc1 101243789 QLESHEFLPOKSLV-OSNVHYDOSA-N 497.620 5.389 50 10 JKGE COc1ccc(OCCn2cc(/C=C(/C#N)C(=O)Nc3nc4ccccc4s3)c3ccccc32)cc1 102443737 GHNMCVXMRZBWGG-MNDPQUGUSA-N 494.576 5.884 50 10 JKGE COc1cc(C)c(Br)cc1[C@H](Br)c1cc(Br)ccc1C 115866759 PHVMNEHUQFTYTH-MRXNPFEDSA-N 463.007 6.321 50 10 JKGE BrC[C@@H](Cc1ccc(I)cc1)c1cccc(Br)c1 118661316 CJPXTRWMZPEJNH-CYBMUJFWSA-N 479.981 5.775 50 10 JKGE Cl[C@@H](c1ccccc1I)c1ccc(Br)c2ccccc12 127525054 CIKXJOWHXXEUSV-QGZVFWFLSA-N 457.536 6.535 50 10 JKGE CCc1nn(CC)c(COc2ccc(Br)c(CBr)c2)c1Br 129067722 ZHPXKINJEZYPSD-UHFFFAOYSA-N 481.026 5.464 50 10 JKGE CCCNC(=O)/C(C#N)=C\c1ccc(OC(=O)c2ccccc2CCc2ccccc2)c(OC)c1 206430437 CIDQTLDQMAGFNH-MOHJPFBDSA-N 468.553 5.133 50 10 JKGE COC(=O)/C(C#N)=C\c1cccc(OC(=O)COc2ccc(C(C)(C)c3ccccc3)cc2)c1 206737382 QBXSZCWGDSJVJP-PGMHBOJBSA-N 455.510 5.077 50 10 JKGE CCOc1cc(/C=C2\C(=O)N(CCCOC(C)C)C(=O)C(C#N)=C2C)ccc1OCc1ccccc1 214308884 QAHAQPKRXAGBMT-JLPGSUDCSA-N 488.584 5.072 50 10 JKGE N#C/C(=C/Nc1cccc2ccccc12)C(=O)N1CCN(C(c2ccccc2)c2ccccc2)CC1 216501347 DKZXVZODBUAUMW-VYIQYICTSA-N 472.592 5.593 50 10 JKGE Cc1ccc2nc(-c3ccc(N/C=C(/C#N)C(=O)Nc4cccc([N+](=O)[O-])c4)cc3)sc2c1 217233667 JQUZXWQQMJKAAZ-VKAVYKQESA-N 455.499 5.638 50 10 JKGE COc1cc([C@@H](Br)c2ccoc2Br)c(OC)cc1Br 234978633 WMHAYDDDDJFQJY-LBPRGKRZSA-N 454.940 5.306 50 10 JKGE O=C(CCCNc1ccc(Cl)cc1)N/N=C(\Cc1ccccc1)c1ccc(-c2ccccc2)cc1 253577075 WPQJZWGMDINBSL-XPXRSFDGSA-N 482.027 6.962 50 10 JKGE O=C(NN=Cc1ccc(Sc2nnc(-c3ccccc3)n2-c2ccccc2)o1)c1ccccc1O 254498010 LYJCOJYRXHSNPB-UHFFFAOYSA-N 481.537 5.148 50 10 JKGE O=C(CSc1nnc(-c2ccccc2)s1)NN=Cc1cccc(OCc2ccccc2Cl)c1 256028289 CYJNHTUHAARSFZ-UHFFFAOYSA-N 495.029 5.680 50 10 JKGE CCCCCCCCOC1(CI)CCN(C(=O)OC(C)(C)C)CC1 303741202 JNOAMACNKIJIHV-UHFFFAOYSA-N 453.405 5.568 50 10 JKGE BrCc1cc(I)c2scc(I)c2c1 306621331 VRIFCEPMIUALHG-UHFFFAOYSA-N 478.918 5.005 50 10 JKGE COc1cc(F)c(Br)cc1[C@@H](Cl)c1sccc1I 311211292 LCZLNFNOQCTZIV-LLVKDONJSA-N 461.521 5.591 50 10 JKGE C[C@H](Cl)c1nc2cc(I)c(F)cc2n1CCCN(C)Cc1ccccc1 386984379 LAYCBONXIHMXRW-AWEZNQCLSA-N 485.772 5.602 50 10 JKGE COCCOc1ccc([C@H](Br)c2cscc2Br)cc1Br 404741306 PEGJBZYCINNMHR-AWEZNQCLSA-N 485.035 5.783 50 10 JKGE Clc1cc([C@@H](Br)c2cccc(Br)c2)c(Cl)c(Cl)c1Cl 404888308 VHJGKCDAANQHMO-JTQLQIEISA-N 463.811 7.547 50 10 JKGE CC(C)(C)OC(=O)NCCN1CCCC[C@@H](c2ccccc2CCO[Si](C)(C)C(C)(C)C)C1 616605671 UJOBXNBBDFCTNI-HSZRJFAPSA-N 476.778 6.345 50 10 JKGE CC(C)(C)OC(=O)N1C[C@H](c2cccc(CO[Si](C)(C)C(C)(C)C)c2)Cc2ccccc21 616670329 NLORXJFXEGHSNU-HSZRJFAPSA-N 453.699 7.290 50 10 JKGE BrCC(CBr)(CCOC1CCCC1)c1cccc(Br)c1 701346703 DRIMREAHOVXORI-UHFFFAOYSA-N 469.055 5.826 50 10 JKGE CCC[C@@H](CCBr)CNC(=O)c1scc(Br)c1Br 705408914 JTPSBIWQGPEBEF-QMMMGPOBSA-N 462.045 5.204 50 10 JKGE BrCc1cc(Br)cc(Br)c1OCC[C@H]1C[C@H]1C1CC1 714880484 SLZNRDNLFGILIA-GWCFXTLKSA-N 453.012 5.922 50 10 JKGE O=C(NN=Cc1c[nH]c2ccc(Br)cc12)c1cc2cc(Br)ccc2o1 725416282 BDPMCKZDBRNUGR-UHFFFAOYSA-N 461.113 5.203 50 10 JKGE Cc1cc(/C=C(/C#N)C(=O)Nc2cccc(Cl)c2Cl)c(C)n1-c1ccc(Cl)c(Cl)c1 1084097594 PGQGIXQYCVUVLP-DHDCSXOGSA-N 479.194 7.253 50 10 JKGE Cc1c(C(=O)NN(C(=O)c2cc(Cl)cc(Cl)c2)C(C)(C)C)cccc1-c1ccccc1 1088698782 ZQIQQNWJNHKBHW-UHFFFAOYSA-N 455.385 6.555 50 10 JKGE CCN(C(=O)c1oc2c(c1C)C(=NNC(=O)c1ccc(Cl)cc1)CCC2)c1cccc(C)c1 1772744371 WIOHXWHRCAWADO-UHFFFAOYSA-N 463.965 5.687 50 10 JKGE Cc1ccc(C(=O)NN=C2CCCc3oc(C(=O)Oc4cc(C)c(Cl)c(C)c4)c(C)c32)cc1 1772744764 IBEZQHQQFYNBGH-UHFFFAOYSA-N 464.949 5.856 50 10 JKGE CCc1nn(-c2ccc(Cl)cc2)c2c1[C@H](c1cccc(Br)c1)C(C#N)=C(N)O2 1865684548 RUZHRFASCDDGIR-GOSISDBHSA-N 455.743 5.069 50 10 JKGE CCCOc1ccc([C@@H]2C(C#N)=C(N)Oc3c2c(CCC)nn3Cc2cccc(F)c2)cc1OCC 1865687882 CLDYMPSWMKERSH-RUZDIDTESA-N 490.579 5.429 50 10 JKGE CCCCCOc1ccc([C@@H]2C(C#N)=C(N)Oc3c2c(-c2ccc(OC)cc2)nn3C)cc1OCC 1865691059 IGFAPXAQPBKQIR-XMMPIXPASA-N 488.588 5.282 50 10 JKGE CCC[C@H](NC(=O)C[C@H](c1ccc(F)cc1)c1cccc(F)c1)C(=O)Nc1ccc(SC#N)cc1 1866777835 BIVIVNDADVHAFI-RPBOFIJWSA-N 493.579 5.984 50 10 JKGE COC(=O)c1ccc2c(O)nc(/C(C#N)=C/c3ccc(OC)c(OCc4ccc(C)cc4)c3)nc2c1 1872728847 XQIGGMLGSXWUFS-CIAFOILYSA-N 481.508 5.082 50 10 JKGE COc1cc(/C=C/C(O)=C(\C#N)c2nc(-c3ccc(F)cc3)cs2)cc(Br)c1OC 1872753234 NLFLCLCMYVAGHR-JAHJUUQCSA-N 487.350 6.235 50 10 JKGE COc1ccc(-c2csc(/C(C#N)=C(\O)CNC(=O)c3ccc(Cl)cc3Cl)n2)cc1Cl 1872757469 HVBMOMZXOVTFHF-JXAWBTAJSA-N 494.787 6.002 50 10 JKGE N#C/C(=C\c1cccc(OCc2ccccc2)c1)c1nc(-c2cccc(Br)c2)cs1 1872784343 LUABCQIFDWYAHB-CIAFOILYSA-N 473.395 7.216 50 10 JKGE CCOc1c(Br)cc(/C=C(\C#N)c2nc(-c3ccc([N+](=O)[O-])cc3)cs2)cc1OC 1872784551 TZIRDANTJPRMFW-OVCLIPMQSA-N 486.347 5.952 50 10 JKGE COc1cc(/C=C(\C#N)c2nc(-c3cccc(Cl)c3)cs2)ccc1OCc1ccc(Cl)cc1 1872790124 MLMLNPZGAIMRBR-RGVLZGJSSA-N 493.415 7.769 50 10 JKGE COc1ccc(-c2csc(/C(C#N)=C/c3ccccc3OCc3ccccc3Cl)n2)cc1F 1872792085 DJMFUAVHRZYJLT-UDWIEESQSA-N 476.960 7.254 50 10 JKGE COc1cc(-c2csc(/C(C#N)=C/c3ccc(C(F)(F)F)cc3)n2)c(OC)cc1Cl 1872793445 AEEXCTGCASMYPP-NTUHNPAUSA-N 450.869 6.564 50 10 JKGE Brc1ccc(Br)c([C@H](Br)C2CC3(CCCCC3)C2)c1 1912552785 ZMTVXPHTGJQPOY-OAHLLOKOSA-N 451.040 7.008 50 10 JKGE C[C@@H](CCl)N(Cc1ccccc1)C(=O)c1cc(Br)sc1Br 1914225655 XHHAOTAPJVUTGK-JTQLQIEISA-N 451.611 5.543 50 10 JKGE C[C@@H](Br)CN(Cc1ccccc1)S(=O)(=O)c1cc(Cl)c(Br)s1 1914633534 NGWDMYPIIFWXNH-SNVBAGLBSA-N 487.666 5.138 50 10 JKGE COc1ccc(Cl)cc1[C@H](Br)c1sc(Br)c(C)c1Br 1922881507 INBKXWVNWOXTLA-NSHDSACASA-N 489.454 6.728 50 10 JKGE C[C@@H]1C[C@@H]1[C@@H](Br)c1c(Br)sc(Br)c1Br 1924575721 DYYHSGDMMNENJJ-ALEPSDHESA-N 467.846 6.128 50 10 JKGE Cl[C@@H](CCC1CCCCC1)c1c(Br)sc(Br)c1Br 1924591372 QKZDAHISWYSFSL-VIFPVBQESA-N 479.503 7.676 50 10 JKGE Clc1cc(Br)ccc1[C@@H](Br)Cc1ncccc1Br 1924860799 JMNYDPYMSDCJSF-NSHDSACASA-N 454.387 5.939 50 10 JKGE Clc1ccc(Br)c([C@@H](Br)Cc2ncccc2Br)c1 1924861622 QHAXGNNTEVZUDB-LBPRGKRZSA-N 454.387 5.939 50 10 JKGE Cc1cc(Br)c(C)c([C@H](Br)[C@H]2C[C@H]2Br)c1Br 1993348373 VSVFEGLYXIHJLC-LPBBDHJYSA-N 475.844 6.048 50 10 JKGE CCn1cc(Br)c([C@H](Cl)c2cc(Br)sc2Br)n1 2010560560 CIGWGWOHTAJUGO-MRVPVSSYSA-N 463.420 5.580 50 10 JKGE CC(C)(C)OC(=O)N1CCC[C@](CI)(OC2CC(C(C)(C)C)C2)C1 2011637975 AUCOWNOXGZOLKE-JFIBYHEFSA-N 451.389 5.032 50 10 JKGE Fc1ccc(C[C@H](Br)c2csc(Br)c2Br)cc1F 2032954152 XPUMDACSBFRQNF-QMMMGPOBSA-N 460.963 6.230 50 10 JKGE Cc1[nH]c2ccccc2c1C(=O)C(C#N)=Cc1cc(Br)c(O)c(Br)c1 2040446472 IEAYBLGECSCOHR-UHFFFAOYSA-N 460.125 5.497 50 10 JKGE Cc1cc(C(=O)C(C#N)=C2C(=O)Nc3ccc(Br)cc32)c(C)n1-c1ccccc1F 2040465263 FUZLDBWHPZHKSD-UHFFFAOYSA-N 464.294 5.108 50 10 JKGE C[C@@]1([C@H](Br)c2cc(Br)c(Br)s2)CCCCC1(F)F 2048987792 OZRFQJMLRJZRJZ-KOLCDFICSA-N 467.011 6.925 50 10 JKGE Cl[C@@H](Cc1c(Br)cccc1Br)c1ccccc1Br 2050533601 SJTSOQHZTSPKSM-AWEZNQCLSA-N 453.399 6.497 50 10 JKGE Cc1c(Br)ccc([C@H](Cl)c2cc(Br)n(C)n2)c1Br 2083336187 XWIDYGWJRQZBDV-LBPRGKRZSA-N 457.391 5.344 50 10 JKGE Cl[C@H](c1ccc(C2CC2)s1)c1ccc(Br)cc1I 2086153793 NUYAQPWQPXCCRW-AWEZNQCLSA-N 453.570 6.321 50 10 JKGE Clc1c(Br)sc(Br)c1[C@@H](Br)c1ccccc1C1CC1 2104107481 GBUQUESXZJVELI-NSHDSACASA-N 485.466 7.288 50 10 JKGE Cl[C@H](c1c(Br)sc(Br)c1Br)[C@H]1CCn2nccc2C1 2108966953 WHXZJPGYVLYBRP-WKEGUHRASA-N 489.458 5.775 50 10 JKGE COc1cc(F)c(Br)cc1[C@H](Br)c1nc(C)sc1Br 2113184555 GMVSLIPVHCURKK-JTQLQIEISA-N 473.987 5.609 50 10 JKGE CN(c1cc(Br)cc(F)c1CBr)[C@H]1CC(C)(C)[C@H]1OCc1ccccc1 2114267218 DRTYWGHGJZQUIX-PMACEKPBSA-N 485.235 6.303 50 10 JKGE O=S(=O)(c1cc(CBr)c(Cl)cc1Cl)N(Cc1ccccc1)CC(F)(F)F 2123247207 PWJORGUAKQQJFO-UHFFFAOYSA-N 491.156 5.642 50 10 JKGE Cc1cc(Br)c(C)c([C@H](Br)[C@@H]2CCCC2(C)C)c1Br 2136381110 YDTHOZSEVJNCJN-XHDPSFHLSA-N 453.056 7.091 50 10 JKGE Cc1c(Br)ccc([C@@H](Br)C2(C)CCCCCC2)c1Br 2138875969 LCNHHJNSCCODMY-OAHLLOKOSA-N 453.056 7.317 50 10 JKGE FC1(F)CO[C@H](CC(CBr)(CBr)c2ccc(Br)cc2)C1 2144792070 ZMZYPPYNMJSCBK-GFCCVEGCSA-N 476.981 5.291 50 10 JKGE COc1cc(Br)c(C)cc1[C@@H](Br)Cc1ccccc1Br 2145952909 FEOIRIVXWREDTK-HNNXBMFYSA-N 463.007 6.207 50 10 JKGE CC1(C)CCN(C(=O)c2cc(Br)ccc2Br)C[C@@H]1CBr 2148652690 KSWUCDTXCCSICO-JTQLQIEISA-N 468.027 5.095 50 10 JKGE C[C@@H](CBr)[C@H]1CCCCN1C(=O)c1cccc(Br)c1Br 2148748207 AJDWHEWNTKOTIZ-GXFFZTMASA-N 468.027 5.237 50 10 JKGE FC(F)(F)c1ccc(Cl)c([C@H](Br)c2sc(Cl)cc2Br)c1 2154480527 WMFIZBJFJKBHRB-JTQLQIEISA-N 468.947 7.321 50 10 JKGE C[C@H](N(Cc1ccccc1)S(=O)(=O)c1ccc(CCCBr)cc1)C(C)(C)C 2179853515 IUHMPLODJNFQBY-SFHVURJKSA-N 452.458 5.640 50 10 JKGE O=S(=O)(c1ccc(F)c(CBr)c1F)N(Cc1ccccc1)CC1CCCC1 2179859421 DJZDFYICUFMTHU-UHFFFAOYSA-N 458.368 5.241 50 10 JKGE Cc1cc(Br)c([C@H](Br)C(F)(F)C2CCOCC2)cc1Br 2185352360 ORKVPWDPXQOYPU-ZDUSSCGKSA-N 476.981 6.018 50 10 JKGE FC(F)[C@H]1CN(Cc2ccccc2)C[C@H]1n1c(CCl)nc2c(Br)cccc21 2193245636 QYGCCQMRFGSLQY-WMLDXEAASA-N 454.746 5.476 50 10 JKGE COc1cc(C)c([C@@H](Br)c2c(Br)nn(C)c2C)cc1Br 2198735401 RXZBXCRLPAZDFS-CYBMUJFWSA-N 466.999 5.055 50 10 JKGE Cc1cc(Br)c(C)c([C@H](Br)Cc2cccc(F)c2)c1Br 2201074284 QVDIEABINCAJFO-CQSZACIVSA-N 464.998 6.646 50 10 JKGE Fc1ccc(Br)c([C@H](Br)c2c(Br)cc(F)c(Cl)c2F)c1 2201617472 FAQYJFLAQQPDBM-NSHDSACASA-N 493.342 6.767 50 10 JKGE O=C(c1cc(Br)sc1Br)N1CC[C@@H]2CC[C@H](Br)C[C@@H]2C1 2204092063 BVNKUPSQYKNTFJ-AEJSXWLSSA-N 486.067 5.299 50 10 JKGE COCC12CC([C@@H](Br)c3cc(Br)c(C)cc3Br)(CO1)C2 2206083810 RGHRPVKOJCGDIX-NFOMZHRRSA-N 469.011 5.152 50 10 JKGE Cc1sc(C(=O)N(C)C[C@@H](Br)COCc2ccccc2)c(C)c1Br 2213745182 RSVWOOIWSAPWHN-OAHLLOKOSA-N 475.246 5.180 50 10 JKGE Cc1c(Br)sc([C@@H](Br)c2ccc(Br)c(Cl)c2)c1C 2218790181 KTGSJEDCCAPURX-NSHDSACASA-N 473.455 7.028 50 10 JKGE Cc1nc([C@H](Cl)c2c(Br)cc(Cl)c(Cl)c2Cl)c(Br)s1 2224307668 PAIHSUUPFAOPGM-SECBINFHSA-N 484.855 7.265 50 10 JKGE FC(F)(F)c1cc2c(cn1)nc(CCl)n2CCCN(Cc1ccccc1)Cc1ccccc1 2229290161 QSTDSQMGXBJZAX-UHFFFAOYSA-N 472.942 6.281 50 10 JKGE Cc1cc(Br)c([C@@H](Br)c2c(F)cc(F)c(Br)c2F)s1 2229317676 LAKDRKBYHAJUAU-JTQLQIEISA-N 478.953 6.483 50 10 JKGE Clc1cc(Br)c([C@@H](Br)CC[C@H]2CCCCO2)c(Cl)c1Cl 2232509968 FVNRFZBJTPXUIF-BDAKNGLRSA-N 465.440 7.195 50 10 JKGE Clc1cc(Br)c([C@H](Br)C2CC3(CCOC3)C2)c(Cl)c1Cl 2232528723 IVSRJIMQIQJHAD-MIJJTYSQSA-N 463.424 6.662 50 10 JKGE Cc1cc(Br)c([C@H](Br)C2(C)CCCCCC2)c(C)c1Br 2235603906 LIYLIWGSNYJVBA-INIZCTEOSA-N 467.083 7.625 50 10 JKGE Cc1cc(Br)c([C@@H](Br)c2cccc(F)c2C)c(C)c1Br 2235608887 MCKQMPZPZJCTKX-INIZCTEOSA-N 464.998 6.760 50 10 JKGE O=C(c1cc(Br)c(Br)s1)N1C[C@H](Br)CC12CCCCC2 2241040054 OHZSMYOWWIHKJI-SECBINFHSA-N 486.067 5.585 50 10 JKGE CC(C)[C@@H](CBr)N(Cc1ccccc1)C(=O)c1cc(F)c(Br)cc1Cl 2256017306 QYMRCQAFQASZJG-GOSISDBHSA-N 491.626 6.304 50 10 JKGE CCOCc1cc(Br)c([C@H](Br)c2cc(Br)co2)s1 2258118309 OJCKJWMBXBHYPY-LLVKDONJSA-N 458.997 5.887 50 10 JKGE Clc1cccc(C[C@H](Br)c2ccc(Br)cc2)c1Br 2259399312 ZLXWAPUBYZNNFK-LBPRGKRZSA-N 453.399 6.544 50 10 JKGE FC1(F)C[C@@H]([C@H](Br)c2c(Br)sc(Br)c2Cl)C12CCC2 2266150141 ZWPDJNRHDIXDMQ-FSPLSTOPSA-N 499.440 7.188 50 10 JKGE COc1cc(C)c(Cl)cc1[C@H](Br)c1ccccc1I 2277904908 KTUXPLVUYPKJRK-OAHLLOKOSA-N 451.529 5.746 50 10 JKGE CCc1sc(Br)cc1[C@H](Br)c1cc(Br)cc(C(C)C)c1 2280677305 PMXIONCWHPYAES-MRXNPFEDSA-N 481.091 7.443 50 10 JKGE O=[N+]([O-])c1ccc(C[C@@H](Br)c2c(F)cccc2I)cc1 2282776777 ZEPIKDSQPRAEBM-LLVKDONJSA-N 450.045 5.017 50 10 JKGE COc1ccc([C@@H](Cl)c2cc(Cl)cc(Br)c2)c(Br)c1Cl 2283552785 IVOVSTLMMMJHNY-ZDUSSCGKSA-N 459.392 6.855 50 10 JKGE O=C(N[C@@H]1CCCC[C@@H]1CCBr)c1ccc(Cl)c(I)c1 2283653057 BWSXWYFDVBWZFN-QMTHXVAHSA-N 470.576 5.018 50 10 JKGE Cc1ccc([N+](=O)[O-])cc1-c1ccc(C=C(C#N)C(=O)Nc2cccc(Br)c2)o1 2294171848 CVORMQIDQNVCEW-UHFFFAOYSA-N 452.264 5.471 50 10 JKGE Brc1cc(Br)cc(C[C@@H](Br)[C@H]2C[C@H]3CCC[C@H](C3)C2)c1 2295331828 OPIMSEPXGDKPCF-DMVWFOPNSA-N 465.067 6.734 50 10 JKGE Fc1c(Cl)cccc1C[C@@H](Br)c1cc2sc(Br)cc2s1 2295492853 MOEOOCBIEQLDNA-MRVPVSSYSA-N 454.611 7.197 50 10 JKGE CC(C=Cc1ccccc1)=NNC(=O)CSc1nnc(-c2cccc([N+](=O)[O-])c2)n1-c1ccccc1 2296055607 DESNOGRPZUKFEY-UHFFFAOYSA-N 498.568 5.140 50 10 JKGE CO[C@@H]1C[C@]2([C@H](Br)c3cc(Br)ccc3OCc3ccccc3)C[C@H]12 2299500223 DEKIADHRYNGTCP-VBSBHUPXSA-N 452.186 5.889 50 10 JKGE CC1(C)CC[C@H](Cc2ccc(I)c(Br)c2)[C@@H]1Br 2306200307 WJUPJFJTPMTIJK-MFKMUULPSA-N 472.002 5.796 50 10 JKGE CC(=O)Nc1ccc(-n2c(C)cc(C=C(C#N)C(=O)Nc3cccc(Cl)c3Cl)c2C)cc1 2313570969 KLGKXIWGDMCRAG-UHFFFAOYSA-N 467.356 5.905 50 10 JKGE CCOc1cc(C=C(C#N)C(=O)Nc2ccc(Cl)c(Cl)c2)ccc1OC(=O)c1ccccc1 2313631385 PIRBGLJUQBICGY-UHFFFAOYSA-N 481.335 6.157 50 10 JKGE CC(C)(C)C1CC([C@@H](Br)c2ccc(OCc3ccccc3)cc2Br)C1 2314441586 ZZUZDGJZZOYUTK-MYKUNDNFSA-N 466.257 7.536 50 10 JKGE Cc1ccc([C@@H](Br)c2cc(Br)ccc2OCc2ccccc2)cc1C 2314490216 MUATXRFZAYWHRX-JOCHJYFZSA-N 460.209 7.129 50 10 JKGE N#CC(=Cc1ccc(-c2cccc(C(F)(F)F)c2)o1)c1nc(-c2ccc([N+](=O)[O-])cc2)cs1 2314572058 ROMDGBOJNPOHST-UHFFFAOYSA-N 467.428 7.061 50 10 JKGE CCOc1cc(C=C2C(=O)N([C@@H](C)CC)C(=O)C(C#N)=C2C)ccc1OCc1ccc(Cl)cc1 2314611549 WYCXEEDTMUZNKR-KRWDZBQOSA-N 478.976 5.708 50 10 JKGE Fc1c(Br)cc(Cl)c([C@@H](Cl)c2csnc2Br)c1Br 2315446707 HSJWHFBQIAPIDO-QMMMGPOBSA-N 498.824 6.551 50 10 JKGE C[C@@H](CCCCCI)NCc1ccc(Cl)cc1I 2318558359 UHFFZJZIEYUTAX-NSHDSACASA-N 491.582 5.418 50 10 JKGE CC(=O)Nc1ccc(C(C)=NNC(=O)c2ccc(-c3ccc(Cl)c(Cl)c3)nc2C)cc1 2321281262 ZGWQYGMFUKTYQS-UHFFFAOYSA-N 455.345 5.476 50 10 JKGE Cc1ccc(CBr)c(OCc2cscc2Br)c1Br 2327547700 QMBLCBKKYXXXPA-UHFFFAOYSA-N 455.009 6.055 50 10 JKGE CC(C)(C)c1ccc(OCCCC(O)=C(C#N)c2nc(-c3ccc4c(c3)CCCC4)cs2)cc1 2331239833 GJOIXZLAQBFGEB-UHFFFAOYSA-N 472.654 7.638 50 10 JKGE CCCCc1ccc(-c2csc(C(C#N)=C(O)c3cccc(Oc4ccccc4)c3)n2)cc1 2331256716 SUWFNUVOFOBTTP-UHFFFAOYSA-N 452.579 7.895 50 10 JKGE CCOc1ccc(C=CC(O)=C(C#N)c2nc(-c3cc(C)c(Cl)cc3OC)cs2)cc1OC 2331390375 DFWYYSAWJPIVOA-UHFFFAOYSA-N 482.989 6.694 50 10 JKGE COc1cc(C=C(C#N)c2nc(-c3ccc(F)c(C)c3)cs2)ccc1OCc1ccc(C)cc1 2331449187 VSEQTNRFSCEUQH-UHFFFAOYSA-N 470.569 7.218 50 10 JKGE Cc1cc(Br)c([C@@H](Br)C[C@@H]2CCC2(F)F)c(C)c1Br 2335421109 CPWOUXWOFFRNCV-ONGXEEELSA-N 460.982 6.700 50 10 JKGE CCCN[C@@H](c1c(C)cc(Br)c(F)c1Br)[C@@H]1C[C@@H]1Br 2339656915 SERZABNVSVEKQK-TVLCNXBWSA-N 458.007 5.483 50 10 JKGE COC1([C@H](Br)c2c(C)cc(Br)c(F)c2Br)CC(C)C1 2339658835 MHXSPILYLGZSES-MBWFCSIISA-N 458.991 5.910 50 10 JKGE Cc1cc([C@H](Cl)c2c(C)cc(Br)c(F)c2Br)oc1Br 2339685282 RTVKYHOEYNDJQM-NSHDSACASA-N 475.377 6.651 50 10 JKGE Cc1cc(Br)c(F)c(Br)c1[C@H](Cl)c1c(Br)ncn1C 2339691939 SHZFWLBCRXPVQZ-VIFPVBQESA-N 475.381 5.483 50 10 JKGE CC(C)Oc1cccc([C@H](Br)c2cc(Br)ccc2OCc2ccccc2)c1 2361178312 NEUPNYGMKFAYGY-QHCPKHFHSA-N 490.235 7.300 50 10 JKGE CC(C)(C[C@H](Cl)c1c(Cl)cc(Br)c(F)c1Br)C(F)(F)F 2362233779 CVDFJSNFRNAXAF-ZETCQYMHSA-N 460.918 7.263 50 10 JKGE COc1cc([C@@H](Br)c2cc(Br)c(Cl)s2)c(OC)cc1Cl 2363519410 RHDBCFZRDLPSJV-GFCCVEGCSA-N 461.002 6.319 50 10 JKGE Clc1ccc(CN2C[C@H](Br)C[C@@H]3CCCC[C@H]32)c(I)c1 2366728745 YEQRETMOGKZDLH-NORZTCDRSA-N 468.604 5.473 50 10 JKGE Cc1cc(Br)c(C)c([C@@H](Br)[C@]23C[C@H](C[C@H](C)O2)C3)c1Br 2368714835 WMZDTIXMRHZYIT-PLVUELBSSA-N 467.039 6.222 50 10 JKGE COc1cc(CCl)cc(Br)c1OCc1sc(Cl)cc1Br 2372286252 DTSXBCLRAGJGGD-UHFFFAOYSA-N 461.002 6.253 50 10 JKGE CC(C)(C)OC(=O)N1CCC[C@]12CC[S@@](=O)(=NC[C@@](C)(CBr)C(C)(C)C)C2 2380173233 DHYLKKXTWLCWRH-DVHCVUMVSA-N 465.498 5.075 50 10 JKGE COc1ccc(C(=O)NN=C(C)c2ccc(NC(=O)COc3ccc(Cl)cc3Cl)cc2)cc1 668695 GYFBUJTYAZHBBE-UHFFFAOYSA-N 486.355 5.174 50 10 JKGE COc1ccc([C@H](C(=O)NCCc2ccccc2)N(Cc2ccc(Cl)cc2)C(=O)CCl)cc1 3039731 JRPLGOZGLPNPCS-RUZDIDTESA-N 485.411 5.016 50 10 JKGE CCOc1ccc([C@@H]2CC(c3ccccc3)=NN2c2ccc(C=NNC(=O)c3ccncc3)cc2)cc1 8424561 VJLGECCEYYZFGA-LJAQVGFWSA-N 489.579 5.600 50 10 JKGE O=C(Cc1ccc(Cl)cc1)Nc1ccccc1C(=O)N/N=C/c1ccc(F)c(Br)c1 20494650 KXQURCJMKYNURB-LGJNPRDNSA-N 488.744 5.187 50 10 JKGE O=C(C=C(Sc1ccccc1)Sc1ccccc1)N/N=C/c1cc(Br)ccc1O 21319475 BUAOPEHYUWVLIG-BUVRLJJBSA-N 485.428 6.031 50 10 JKGE COc1ccc(-c2csc(/C(C#N)=C\c3cc4cc(Br)ccc4nc3Cl)n2)cc1 33391344 JTPDYALUJWQVQP-SXGWCWSVSA-N 482.790 6.847 50 10 JKGE CC(C)c1ccc(OCC(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@@H]3c2ccc(Cl)cc2)cc1 38651409 QISFSUCNGUIXFB-AREMUKBSSA-N 474.944 5.666 50 10 JKGE Cc1cccc(OCC(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@H]3c2ccc(Cl)cc2Cl)c1C 38655517 SHVHAPJNFXDVCN-VWLOTQADSA-N 495.362 5.813 50 10 JKGE CCc1ccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4ccc(OC(C)C)cc4)ccc32)cc1 38677222 FEKHBZJYSJVDTO-AREMUKBSSA-N 454.526 5.474 50 10 JKGE N#CC1=C(N)Oc2cc(OC(=O)c3cccc(Cl)c3)ccc2[C@@H]1c1c(Cl)cccc1Cl 38679962 UWJQXQQEDUZXIZ-FQEVSTJZSA-N 471.727 6.084 50 10 JKGE N#CC1=C(N)Oc2cc(OC(=O)c3ccccc3)ccc2[C@@H]1c1ccc(OCc2ccccc2F)cc1 38686371 GCYUWNWWGFLISW-NDEPHWFRSA-N 492.506 5.842 50 10 JKGE COc1cccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4oc5cc(C)c(C)cc5c4C)ccc32)c1 38687318 LFAKWEIYRSGZLM-AREMUKBSSA-N 480.520 5.804 50 10 JKGE CCc1ccc2oc(C(=O)Oc3ccc4c(c3)OC(N)=C(C#N)[C@@H]4c3ccc([N+](=O)[O-])cc3)c(C)c2c1 38688233 QDKQLMJLYXCHAN-RUZDIDTESA-N 495.491 5.649 50 10 JKGE CC(C)(C)c1ccc(OCCCC(=O)N/N=C/c2ccccc2Cl)c(Br)c1 40951339 UYFTYISYAUYCKA-ZVHZXABRSA-N 451.792 5.709 50 10 JKGE CCCCNC(=O)/C(C#N)=C/c1ccc(OC(=O)/C=C/c2ccc(OCCC(C)C)c(OC)c2)cc1 40992563 XMKUUSSGBNXERV-WAGUKLGWSA-N 490.600 5.562 50 10 JKGE O=C(CC[C@@H](O)c1ccccc1)N/N=C\c1ccc(-c2cc([N+](=O)[O-])c(Cl)cc2Cl)o1 58888695 YYMLIZGROZZDEX-HRGKPLJHSA-N 462.289 5.126 50 10 JKGE CCOc1cc(/C=C(/C#N)C(=O)Nc2ccc(OC)cc2)ccc1OCc1cccc(Cl)c1 59245255 VIIGVBHXQVGGOG-MOSHPQCFSA-N 462.933 5.872 50 10 JKGE Cc1ccc(NCCCC(=O)N/N=C/c2ccccc2OCc2ccc(Br)cc2)cc1 59507939 CZJREYXNWIUEFD-OGLMXYFKSA-N 480.406 5.679 50 10 JKGE CCCCCCCOc1ccc(C(=O)NC(=S)NNC(=O)c2ccc(C(C)(C)C)cc2)cc1 100154507 UZYHNKBNZYFAIG-UHFFFAOYSA-N 469.651 5.283 50 10 JKGE CC(=O)Oc1ccc(/C=C(\C#N)c2nc(C3=Cc4cc(Br)ccc4CC3=O)cs2)cc1 102923911 LUGCPZOIZZRHSZ-QGMBQPNBSA-N 491.366 5.561 50 10 JKGE CCCC(CBr)(CBr)Cc1c(Br)c(CC)nn1CC 118670125 MFJZXZOUULDSAN-UHFFFAOYSA-N 459.064 5.347 50 10 JKGE Cc1ccc(C(CBr)(CBr)Cc2ccc(F)c(Br)c2)cc1 118876647 ZBPAZJFKXBLTBK-UHFFFAOYSA-N 479.025 6.167 50 10 JKGE COc1ccc([C@H](Br)c2cc(C)c(Br)s2)c(Br)c1 126056566 INBCOXCVTGOQPU-LBPRGKRZSA-N 455.009 6.074 50 10 JKGE Fc1ccc([C@H](Br)c2cc(Br)c(Br)s2)c(Cl)c1 128283469 BMWXESJIZQIAEK-JTQLQIEISA-N 463.391 6.550 50 10 JKGE Cc1ccc2[nH]c(C3CCN(C(=O)NC[C@@]4(C)C[C@@H](N=C=O)CC(C)(C)C4)CC3)c(C)c2c1 170290688 FVPTYAOXPBGGBH-IDISGSTGSA-N 450.627 5.595 50 10 JKGE COc1ccc([C@H](Br)c2ccc(Br)s2)c(OC)c1Br 224863511 DWFGVDIBANVZIF-NSHDSACASA-N 471.008 5.775 50 10 JKGE CC(C)(C)C[C@@H](Br)CNC(=O)c1cc(Br)c(Br)s1 226231304 VCTAFTUUMVKWQR-SSDOTTSWSA-N 462.045 5.203 50 10 JKGE Cc1ccc([C@@H](Br)c2cc(Br)cc3c2OCC3)c(Br)c1 228442800 OIARLSQJGJKXHQ-OAHLLOKOSA-N 460.991 5.939 50 10 JKGE Brc1ccc([C@H](Br)c2ccc3c(c2)CCCO3)c(Br)c1 232453739 UCCHVCWEPRDJKK-MRXNPFEDSA-N 460.991 6.021 50 10 JKGE Brc1ccc(I)cc1[C@@H](Br)Cc1ccccn1 232475522 RNKSVZUZCWUUDQ-ZDUSSCGKSA-N 466.942 5.127 50 10 JKGE COc1cc(C=NNC(=O)c2cc3c(ccc4ccccc43)o2)ccc1OCc1ccccc1 252590871 AWIBSCFYKNWJAJ-UHFFFAOYSA-N 450.494 5.938 50 10 JKGE CCOC(=O)COc1ccc(Br)cc1C=NNC(=O)c1cc2c(ccc3ccccc32)o1 252621444 MYSDWOLZKHVVMV-UHFFFAOYSA-N 495.329 5.054 50 10 JKGE CC(=NNC(=O)c1cc(-c2cccc(OCc3ccccc3)c2)n[nH]1)c1ccc2ccccc2c1 254708787 XEYBIXPMJQJDOT-UHFFFAOYSA-N 460.537 5.963 50 10 JKGE O=C1OC(=O)[C@@H]2[C@H]3C[C@@H]([C@@H]4Sc5[nH]c(=S)sc5[C@H](c5cccc(Oc6ccccc6)c5)[C@H]43)[C@H]12 256027158 UKYMDXXFOWNVFX-JXUVHZKSSA-N 493.631 5.786 50 10 JKGE Clc1cc([C@H](Br)c2cscc2Br)sc1Br 404783838 DNAZHUFECJJINV-MRVPVSSYSA-N 451.430 6.472 50 10 JKGE Cl[C@@H]1[C@H](Cl)[C@H](C(c2ccccc2)(c2ccccc2)c2ccccc2)[C@H]1Cc1ccccc1 575629645 BQLRFGJJPAVZGS-OVHUPFAXSA-N 457.444 7.725 50 10 JKGE Cc1cc([C@@H](Br)c2scc(Br)c2Br)sc1Cl 705411442 XWTDOECJYOUSEH-MRVPVSSYSA-N 465.457 6.781 50 10 JKGE FC(F)(F)c1cc([C@@H](Br)c2cc(Br)c(Br)s2)cs1 718832255 QGWHFCJGADNJBF-MRVPVSSYSA-N 484.982 6.838 50 10 JKGE O=[N+]([O-])c1ccccc1C[C@@H](Br)c1cccc(F)c1I 721738324 WSVSNWFEIIGYKO-LLVKDONJSA-N 450.045 5.017 50 10 JKGE COc1ccccc1OCC(=O)NN=Cc1c(Br)c(C)n(-c2cc(C)cc(C)c2)c1C 1083887582 XHZHOYKHZSLPCT-UHFFFAOYSA-N 484.394 5.011 50 10 JKGE Cc1cc(C=NNC(=O)CSCc2ccccc2Br)c(C)n1-c1ccccc1F 1084001216 NDFVTBXVFAUXPK-UHFFFAOYSA-N 474.399 5.379 50 10 JKGE COc1cc(C=NNC(=O)CC[C@H](O)c2ccccc2)cc(Cl)c1OCc1ccc(F)cc1 1084115158 WQBQOEWBAZYZQB-QFIPXVFZSA-N 470.928 5.031 50 10 JKGE Cc1ccc(-c2ccccc2)n1-c1ccc(C(=O)NN=Cc2ccccc2OCc2ccccc2)cc1 1084471135 DAASKJWRVCAOBR-UHFFFAOYSA-N 485.587 6.796 50 10 JKGE Cc1cc(C=NNC(=O)CSCc2ccccc2)c(C)n1-c1cccc(Br)c1 1084591128 LFJNMGOJVNZDDR-UHFFFAOYSA-N 456.409 5.240 50 10 JKGE N#CC1=NN(c2ccc(Cl)cc2)[C@@H](c2ccccc2)C2=C1OC(N)=C(C#N)[C@H]2c1ccc(Cl)cc1 1088681101 MQLXYWGLAQYKTG-NOZRDPDXSA-N 498.373 6.196 50 10 JKGE CC1=C(C#N)C(=O)N([C@H](C)c2ccccc2)C(=O)/C1=C/Nc1ccc(N=Nc2ccccc2)cc1 1772742783 WLTUGLLINNVMEC-TVTQODCASA-N 461.525 6.368 50 10 JKGE Cc1ccccc1C(=O)NN=C1CCCc2oc(C(=O)Nc3cccc4cccnc34)c(C)c21 1772743921 OCOSOBDHXFKCMD-UHFFFAOYSA-N 452.514 5.167 50 10 JKGE CCCCOc1ccc(NC(=O)c2oc3c(c2C)C(=NNC(=O)c2cccc(OC)c2)CCC3)cc1 1772749070 GWPJQSDPEQLICL-UHFFFAOYSA-N 489.572 5.498 50 10 JKGE Cc1c(C(=O)Nc2ccccc2C(F)(F)F)oc2c1C(=NNC(=O)Cc1ccccc1)CCC2 1772749598 WJUSTHLJWGUJHB-UHFFFAOYSA-N 469.463 5.258 50 10 JKGE CCCc1nn(Cc2ccccc2Cl)c2c1[C@H](c1ccc(Cl)c(Cl)c1)C(C#N)=C(N)O2 1865685853 NJQSXRSUQQGMGP-HXUWFJFHSA-N 473.791 6.062 50 10 JKGE Cc1nn(Cc2ccccc2Cl)c2c1[C@H](c1ccc(OCc3ccccc3)cc1)C(C#N)=C(N)O2 1865690412 QPWFLONPDNZKHY-AREMUKBSSA-N 482.971 5.690 50 10 JKGE CCc1nn(-c2ccccc2)c2c1[C@@H](c1ccccc1OCc1ccccc1Cl)C(C#N)=C(N)O2 1865702781 FEUKYBMKCSSKPY-VWLOTQADSA-N 482.971 5.885 50 10 JKGE COc1ccc(-c2nn(-c3cccc(Cl)c3)c3c2[C@@H](c2ccccc2[N+](=O)[O-])C(C#N)=C(N)O3)cc1 1865709913 JXXNEHRALRWYOC-QFIPXVFZSA-N 499.914 5.328 50 10 JKGE COc1ccc(-c2nn(CC(C)C)c3c2[C@@H](c2ccc(C(F)(F)F)cc2)C(C#N)=C(N)O3)cc1 1865710680 FBHNYHBTILIJLK-FQEVSTJZSA-N 468.479 5.452 50 10 JKGE COc1ccc(/C=C(\C(=O)NNC(=O)c2ccc(-c3ccc(F)cc3F)nc2C)c2ccccc2)cc1 1865759768 REDADMDPFYWEHZ-XYGWBWBKSA-N 499.517 5.346 50 10 JKGE CCN(CC)c1ccc(/C=C2\Oc3c(ccc(OCc4ccc(CCl)cc4)c3C)C2=O)cc1 1871436748 NQUKDPZYWIFNAB-QQXSKIMKSA-N 461.989 6.775 50 10 JKGE COc1cccc(/C=C(\C#N)c2nc3ccc(C)cc3[nH]2)c1OCc1c(Cl)cccc1Cl 1872728144 PJWZIKKCPGOSPV-SFQUDFHCSA-N 464.352 6.830 50 10 JKGE CCOc1ccc(-c2csc(/C(C#N)=C(\O)c3cc([N+](=O)[O-])c(C)c([N+](=O)[O-])c3)n2)cc1 1872747446 DGHDDXHRECPEMJ-SILNSSARSA-N 452.448 5.284 50 10 JKGE N#C/C(=C(/O)CCCN1C(=O)c2cccc([N+](=O)[O-])c2C1=O)c1nc(-c2cccc(Cl)c2)cs1 1872748163 LIJMICRSBBBIIK-MNDPQUGUSA-N 494.916 5.241 50 10 JKGE COc1c(Cl)cc(-c2csc(/C(C#N)=C(\O)c3cccc(NC(C)=O)c3)n2)cc1Cl 1872756320 XDWGEYRZWUFEPO-CYVLTUHYSA-N 460.342 6.034 50 10 JKGE CCCc1ccc(OC/C(O)=C(\C#N)c2nc(-c3cc(C)c(Cl)cc3OC)cs2)cc1 1872756909 HDXJGUJZGGGPDT-QOCHGBHMSA-N 454.979 6.605 50 10 JKGE CCOc1c(Br)cc(/C=C(\C#N)c2nc(-c3c(C)c(C)cc(C)c3C)cs2)cc1OC 1872792790 QUOQCJKAUZSZQR-DJKKODMXSA-N 497.458 7.278 50 10 JKGE COc1cc(C)c(-c2csc(/C(C#N)=C/c3c(OC)ccc4ccccc34)n2)cc1C(C)C 1872792961 AEXBZRRRLWUOQG-DEDYPNTBSA-N 454.595 7.477 50 10 JKGE COc1cc(/C=C(\C#N)c2nc(-c3ccc(C)c(C)c3)cs2)ccc1OCCCc1ccccc1 1872793621 KIVCEYWMDGLIKG-YZSQISJMSA-N 480.633 7.511 50 10 JKGE CCCOc1ccc(/C=C(\C#N)c2nc(-c3ccc(OC)c(OC)c3OC)cs2)cc1OCC 1872795340 ZWMFRVQTLWXOLH-QGOAFFKASA-N 480.586 6.088 50 10 JKGE N#C/C(=C(/O)c1ccc(N2C(=O)c3ccccc3C2=O)cc1)c1nc(-c2ccc(F)cc2F)cs1 1872818036 KEFQCDQOFYHAPS-ATJXCDBQSA-N 485.471 5.839 50 10 JKGE CC(C)C[C@H](NC(=O)OC(C)(C)C)C(=O)N/N=C/c1c(OCc2ccccc2)ccc2ccccc12 1873795131 SSXPPZWDYNYOGK-AKLYFZKISA-N 489.616 5.808 50 10 JKGE O=S(=O)(c1ccc(CCCBr)cc1)N(Cc1ccccc1)Cc1ccccc1 1885383036 OVCQSEPZAOKVMK-UHFFFAOYSA-N 458.421 5.405 50 10 JKGE Clc1cc(I)c([C@H](Br)c2cccc(Br)c2)s1 1900918502 GEDMLRQLRTYRFN-SNVBAGLBSA-N 492.401 6.253 50 10 JKGE O=C(N[C@H](CCBr)COCc1ccccc1)c1cccc(OCc2ccccc2)c1 1902794809 QFKGSFNGKIAFFN-HSZRJFAPSA-N 468.391 5.366 50 10 JKGE O=S(=O)(c1ccc(Br)cc1Cl)N(CCCBr)Cc1ccccc1 1914647709 IBWSSOSYCVLPOR-UHFFFAOYSA-N 481.637 5.078 50 10 JKGE CCn1nc(C)c(Br)c1CN(Cc1ccccc1)[C@H](CBr)C1CC1 1915217207 NEXQQFSEYMIKJI-QGZVFWFLSA-N 455.238 5.150 50 10 JKGE COc1ccc(Br)c(C(=O)N(Cc2ccccc2)[C@H](CBr)C2CC2)c1 1915265096 NWSXLHNBEQHOER-LJQANCHMSA-N 467.201 5.274 50 10 JKGE Fc1cc([C@H](Br)c2sc(Br)cc2Br)c(F)cc1Cl 1922944992 BNMLTZKZVKXTLZ-JTQLQIEISA-N 481.381 6.689 50 10 JKGE Cl[C@H](c1cc2c(s1)CCC2)c1c(Br)sc(Br)c1Br 1924590244 ILMIOZXACDQMOV-SNVBAGLBSA-N 491.495 6.914 50 10 JKGE Cl[C@@H](c1c(Br)sc(Br)c1Br)[C@@H]1C[C@H]2CC[C@@H]1O2 1924615267 YMAVQCGEGDNFNE-NDDNGWRZSA-N 465.432 5.883 50 10 JKGE CC1(NC(=O)c2cc(Br)sc2Br)CCC(Br)CC1 1924709565 GANIVZCKHKXZFU-UHFFFAOYSA-N 460.029 5.099 50 10 JKGE C[C@H]1COc2ccc([C@@H](Br)c3scc(Br)c3Br)cc21 1925670422 NBHXMGKXTKPSCL-JVXZTZIISA-N 467.020 6.253 50 10 JKGE C[C@@H]1COc2ccc([C@H](Cl)c3cc(I)ccc3Br)cc21 1925733538 DDAXCTYNFKVWRL-ABKXIKBNSA-N 463.540 5.878 50 10 JKGE C[C@@H]1COc2ccc([C@@H](Br)c3cc(Cl)ccc3I)cc21 1925756909 PXJDCSVTXRUIKR-JDNHERCYSA-N 463.540 5.925 50 10 JKGE Cc1sc(Br)cc1[C@H](Br)Cc1ccccc1I 1940446057 WBSVGZQNEPPASD-LLVKDONJSA-N 486.010 6.102 50 10 JKGE Brc1cc([C@@H](Br)C2(Br)CCC2)sc1Br 1956593561 NMTVGUBTYLOEAM-SSDOTTSWSA-N 467.846 6.027 50 10 JKGE F[C@H]([C@H](Br)c1c(Br)sc(Br)c1Cl)C(F)(F)F 1984583733 GLLXLCKIDKDSJE-VVJJHMBFSA-N 469.317 6.263 50 10 JKGE CCc1cc(Br)c([C@@H](Br)c2cc(Br)ccc2F)s1 2029232945 NIBXTBYIWICIDZ-LBPRGKRZSA-N 457.000 6.459 50 10 JKGE C[C@@H]1CN(Cc2ccccc2)CCCN1c1cc(Br)cc(F)c1CBr 2051130839 APHWNECFRQZRFJ-OAHLLOKOSA-N 470.224 5.584 50 10 JKGE Cc1cc(C)cc(Cn2nc(CBr)c(I)c2C(F)(F)F)c1 2079243212 PMVOIOUDHILXBE-UHFFFAOYSA-N 473.074 5.067 50 10 JKGE Cc1ccc([C@@H](Br)c2c(C)c(Br)cc(C)c2Br)s1 2081071902 QHQKJMMXRNAFJP-CQSZACIVSA-N 453.037 6.683 50 10 JKGE COc1c(Cl)cc(Br)cc1[C@@H](Br)c1ccc(Br)o1 2082857855 AQLXAWWXSMYOAJ-LLVKDONJSA-N 459.359 5.951 50 10 JKGE Clc1ccc(Cl)c([C@@H](Cl)c2ccc(Br)cc2I)c1 2086149826 SMMUZVMASXDOEA-ZDUSSCGKSA-N 476.366 6.689 50 10 JKGE O=[N+]([O-])c1ccc(C[C@@H](Br)c2csc(Br)c2Br)cc1 2093941967 HFDRPPSBNCQLEE-SNVBAGLBSA-N 469.980 5.860 50 10 JKGE Cn1nc([C@@H](Br)c2cc(Br)c(Cl)cc2F)c(Cl)c1Cl 2097828143 PLWNGNVBALZFCV-QMMMGPOBSA-N 451.348 5.766 50 10 JKGE Cc1ccc(Br)c(F)c1C[C@@H](Br)c1ccccc1Br 2113436166 HMZQUSBEBNTFOF-CQSZACIVSA-N 450.971 6.338 50 10 JKGE Fc1cccc([C@@H](Br)CCc2cc(Br)ccc2Br)c1 2118532466 QAXNAUAZBRUZAK-AWEZNQCLSA-N 450.971 6.420 50 10 JKGE CC(C)CN1C[C@@H](Br)[C@@H](Cc2cc(Br)ccc2Br)C1 2118532653 RJTNAZORRJHPTR-SWLSCSKDSA-N 454.044 5.105 50 10 JKGE CC1(C)C[C@](C)(CBr)CN1C(=O)c1csc(Br)c1Br 2134824307 WEZSJVGRBAXTOU-CYBMUJFWSA-N 474.056 5.299 50 10 JKGE Cc1cc(Br)c(C)c([C@H](Br)[C@@H]2C[C@@H]2C(F)(F)F)c1Br 2136372657 VAXMWSRQAWEOOR-RGNHYFCHSA-N 464.945 6.463 50 10 JKGE C[C@@H](CC(CBr)(CBr)c1ccccc1Br)P(C)(C)=O 2139865715 HDPYLZAUBSJHIE-NSHDSACASA-N 474.999 5.878 50 10 JKGE Cl[C@@H](Cc1ccccc1I)c1cc(Br)cc2c1OCC2 2143868972 UQXIWEZCQUIGBQ-AWEZNQCLSA-N 463.540 5.511 50 10 JKGE COc1cc(Br)c(C)cc1[C@H](Cl)c1cc(Br)ccc1Br 2145958224 UBRKEPBCWVMOEC-OAHLLOKOSA-N 483.425 6.619 50 10 JKGE Brc1cccc(Br)c1CC[C@H](Br)CN1CCCCCC1 2155645116 WDAKRCXLDUGKOF-ZDUSSCGKSA-N 468.071 5.784 50 10 JKGE CC1(C)C[C@@H](n2c(CCl)nc3cc(Br)c(F)cc32)[C@H]1OCc1ccccc1 2156379367 YAPYKXZPLJHPOB-UYAOXDASSA-N 451.767 6.233 50 10 JKGE CC[C@H](Br)[C@@H]1CCCCN1C(=O)c1ccc(Br)cc1Br 2170612381 ICKMKMSROHLPKF-JSGCOSHPSA-N 468.027 5.380 50 10 JKGE COc1ccc([C@@H](Br)c2cc(Br)c(Cl)s2)c(OC)c1Cl 2172569353 MBHJDBSTHNAJAE-SNVBAGLBSA-N 461.002 6.319 50 10 JKGE BrC[C@H]1CCC2(CCC2)CN1Cc1cc(Br)ccc1Br 2175146499 FGXNGTOMUHNHBT-CQSZACIVSA-N 466.055 5.741 50 10 JKGE COc1c(Cl)cc(Br)cc1[C@H](Cl)c1cc(Br)ccc1Cl 2202997556 KUXUNNGXAKFLPG-CYBMUJFWSA-N 459.392 6.855 50 10 JKGE Cc1c(Br)ccc([C@H](Br)[C@@H]2C[C@H]2C2CCOCC2)c1Br 2203689947 YZFUJKQVONXACX-ZENOOKHLSA-N 467.039 6.019 50 10 JKGE CCCCCCCCCCCO[C@](C)(CI)CNC(=O)OC(C)(C)C 2223235507 UGPVNVDTHGQWFB-HXUWFJFHSA-N 469.448 6.252 50 10 JKGE Cc1cc(Br)c([C@H](Cl)c2ccc(Br)cc2)c(C)c1Br 2227348584 OFLJDBWUPNTGAF-OAHLLOKOSA-N 467.426 6.919 50 10 JKGE Cc1ccc([C@@H](C)[C@@H](Cl)c2c(Br)sc(Br)c2Br)cc1 2232081527 JUTLRINQJYLOMX-PRHODGIISA-N 487.482 7.428 50 10 JKGE Fc1ccc([C@H](Br)c2c(Br)cc(Cl)c(Cl)c2Cl)cc1Cl 2232511084 ITFHQICVGUEOQN-NSHDSACASA-N 481.801 7.686 50 10 JKGE Cc1c(Br)ccc([C@H](Br)[C@@H]2C[C@H]3CCC[C@H](C3)C2)c1Br 2233649179 KFMZENFHPJUOAS-ZOPJHEKZSA-N 465.067 7.172 50 10 JKGE Fc1cc(Br)c(Br)cc1[C@@H](Br)[C@@H]1C[C@H]2CCC[C@H](C2)C1 2233981242 FYCIBIRXPWRNOY-GFOPWETNSA-N 469.030 7.003 50 10 JKGE Cc1cc(Br)c(C)c([C@H](Br)[C@H]2CCCC(C)(C)O2)c1Br 2235157634 ALTONNMHVAXDEX-IUODEOHRSA-N 469.055 6.612 50 10 JKGE COc1c([C@@H](Br)c2cc(Br)c(Br)s2)csc1C 2250105174 WODNTBGNSKAQLT-SECBINFHSA-N 461.038 6.136 50 10 JKGE Cc1sc([C@@H](Br)c2cc(Cl)ccc2Br)c(Br)c1C 2253472688 DNSVKTKXHQGDEP-LBPRGKRZSA-N 473.455 7.028 50 10 JKGE ClCc1nc(Oc2cc(I)ccc2Cl)ncc1Br 2259957967 JVIVYQXHTJITRN-UHFFFAOYSA-N 459.896 5.028 50 10 JKGE Clc1c(Br)csc1[C@H](Br)c1cc(Br)c2c(c1)CCO2 2264609492 LWDPFDDXOJKLNQ-SNVBAGLBSA-N 487.438 6.346 50 10 JKGE FC1(F)C[C@H]([C@@H](Br)c2cc(Br)ccc2Br)C12CCC2 2266147957 PVIYIFOYRJYQHA-PWSUYJOCSA-N 458.966 6.473 50 10 JKGE Fc1cc(Cl)c([C@@H](Br)Cc2ccc(Br)cc2)cc1Br 2270351542 ZYKAWIUBQWQKJS-NSHDSACASA-N 471.389 6.683 50 10 JKGE Clc1ccc(Br)cc1CO[C@H]1CCCCCC[C@H]1I 2277807049 PZVVXUQSHGCTPS-CABCVRRESA-N 457.577 6.146 50 10 JKGE COc1ccc(C[C@H]2SC(=C(C#N)C(=O)Nc3ccccc3Cl)N(c3ccccc3)C2=O)cc1 2295987697 SYRMFWINOJYXLC-HSZRJFAPSA-N 489.984 5.414 50 10 JKGE N#CC(C(=O)Nc1ccccc1F)=C1S[C@@H](Cc2ccccc2Cl)C(=O)N1c1ccccc1 2296500315 FKUNMRPUOYWNRX-QFIPXVFZSA-N 477.948 5.544 50 10 JKGE N#CC(=Cc1ccc(-c2cccc([N+](=O)[O-])c2)o1)C(=O)Nc1ncc(Cc2ccccc2Cl)s1 2296818951 DJZZQEAOGPAACY-UHFFFAOYSA-N 490.928 6.101 50 10 JKGE Fc1ccc([C@@H](Br)c2sc(Cl)cc2I)c(Cl)c1 2300952977 CXBRYOJDWDJLMS-SNVBAGLBSA-N 465.940 6.283 50 10 JKGE CCc1ccc(NC(=O)C(C#N)=Cc2cn(Cc3ccc(Br)cc3)c3ccccc23)cc1 2313670620 LBBGQTRSNHTCIF-UHFFFAOYSA-N 484.397 6.560 50 10 JKGE C[C@H](NC(=O)C(C#N)=Cc1cn(Cc2ccc(Cl)cc2Cl)c2ccccc12)c1ccccc1 2313676775 FDDFZTFCAMIGGR-SFHVURJKSA-N 474.391 6.781 50 10 JKGE CSC1CC(COc2c(Br)cc(Br)cc2CBr)C1 2314156816 JSDZMVLHOBVWLD-UHFFFAOYSA-N 459.041 5.627 50 10 JKGE C=CCNC(=O)C(C#N)=Cc1cn(-c2ccccc2)nc1-c1ccc(OCc2ccc(C)cc2)cc1 2314414722 KBIZHYOZVYUQDD-UHFFFAOYSA-N 474.564 5.636 50 10 JKGE Brc1cc(OCc2ccccc2)ccc1[C@H](Br)[C@@H]1[C@H]2CCCCC[C@H]21 2314438987 DEXJZOXCZBBYLW-KKXYHZGYSA-N 464.241 7.290 50 10 JKGE C[C@H]1O[C@@]2([C@@H](Br)c3ccc(OCc4ccccc4)cc3Br)CC[C@H]1C2 2314442804 DACMYPOILHBLRR-CLUDHOEWSA-N 466.213 6.422 50 10 JKGE CCCCCCOc1ccc(C=C(C#N)C(=O)Nc2ccc(C)cc2Br)cc1OC 2314729195 YPLYDHAZOLBYMG-UHFFFAOYSA-N 471.395 6.271 50 10 JKGE BrCC1(OCc2cc(I)ccc2Br)CCCCC1 2319213599 MIOROSBRYQPFAS-UHFFFAOYSA-N 488.001 5.668 50 10 JKGE Cc1cc(Br)c(C(=O)N[C@H](CCBr)COCc2ccccc2)cc1Cl 2320360318 FQUFWAVLAQKSCQ-OAHLLOKOSA-N 489.635 5.511 50 10 JKGE CC[C@H](NC(=O)C(C#N)=CNc1ccc(C)cc1Br)c1ccc2c(c1)CCCC2 2325092990 RGUYXARAQKKEOG-QFIPXVFZSA-N 452.396 5.723 50 10 JKGE O=C(C=Cc1ccc(Cl)cc1)NN=C1C(=O)N(Cc2ccccc2Cl)c2ccccc21 2326840129 UNXPALNQCFGQBX-UHFFFAOYSA-N 450.325 5.074 50 10 JKGE CCOc1cc(C=C(C#N)c2nc3ccccc3n2CC)ccc1OCc1ccc(Cl)cc1 2331071902 ZAVPWSOBDDRDFI-UHFFFAOYSA-N 457.961 6.751 50 10 JKGE CC[C@@H](C)[C@H](C(O)=C(C#N)c1nc(-c2cccc(OC)c2)cs1)N1C(=O)c2ccccc2C1=O 2331248956 JXSCWXKQPOZLEA-IVZQSRNASA-N 473.554 5.322 50 10 JKGE CCc1cccc(CC)c1N1C(=O)c2ccc(C(O)=C(C#N)c3nc(C(C)(C)C)cs3)cc2C1=O 2331306341 YNTKEYYVRSIVJA-UHFFFAOYSA-N 485.609 6.316 50 10 JKGE CC[C@H](C)[C@@H](C(O)=C(C#N)c1nc(-c2ccc(OC)c(F)c2)cs1)N1C(=O)c2ccccc2C1=O 2331337733 WGLNAOGSFWGGIC-FPTDNZKUSA-N 491.544 5.461 50 10 JKGE CCCCc1ccc(N2C[C@H](C(O)=C(C#N)c3nc(-c4ccc(F)cc4)cs3)CC2=O)cc1 2331343614 GLFVVWQBMPRFPM-LJQANCHMSA-N 461.562 6.138 50 10 JKGE C[C@@H](Oc1ccc(Cl)cc1Br)C(O)=C(C#N)c1nc(-c2ccc(F)cc2)cs1 2331344170 UZKUQVFKQRJWJP-LLVKDONJSA-N 479.758 6.625 50 10 JKGE CCCCC1CCC(C(O)=C(C#N)c2nc(-c3cc(Cl)cc(Cl)c3OC)cs2)CC1 2331364235 VTKWCETWDQTKLH-UHFFFAOYSA-N 465.446 7.915 50 10 JKGE COc1cc(OC)c(-c2csc(C(C#N)=C(O)c3cc4ccccc4oc3=O)n2)cc1Cl 2331381145 OQEFYUSJNKSWTM-UHFFFAOYSA-N 466.902 5.537 50 10 JKGE Brc1ccc(OCc2ccccc2)c([C@@H](Br)C[C@@H]2CCCCC23CC3)c1 2336044835 QXULISWKYSNLHA-RXVVDRJESA-N 478.268 7.825 50 10 JKGE CC(C)(C)[C@@H]1[C@H](Br)CCN1Cc1ccc(Cl)c(I)c1 2337216609 VSLXYEIWHQHIFK-RISCZKNCSA-N 456.593 5.329 50 10 JKGE Fc1cccc([C@@H](Br)CCc2ccc(Cl)c(I)c2)c1 2337219384 SALAOZWDMNEHAI-ZDUSSCGKSA-N 453.520 6.153 50 10 JKGE CC1([C@H](Cl)c2ccc(OCc3ccccc3)cc2Br)CC2(CC(F)(F)C2)C1 2361202117 YQYRWGQLZDVWMO-LJQANCHMSA-N 455.770 7.524 50 10 JKGE Fc1c(Br)cc(Cl)c([C@@H](Br)[C@@H]2C[C@@H]3O[C@H]2[C@H]2C[C@@H]32)c1Br 2362226862 XIRSGOMNPFKAMC-INUHIWTGSA-N 489.404 5.864 50 10 JKGE Cc1cc(Br)cc(CCl)c1OCc1ccc(Cl)c(I)c1 2362436185 NSGZUZCXCIREGQ-UHFFFAOYSA-N 485.974 6.333 50 10 JKGE CC1CCC2(CC1)[C@@H](Br)C[C@H]2Oc1cc(Br)cc(Br)c1 2364103232 HTOQNJAAMXRNOO-HUJAQRGZSA-N 467.039 6.323 50 10 JKGE Cc1ccc(F)c([C@H](Br)c2c(C)cc(Br)c(F)c2Br)c1 2365178450 JNAOTAXZYZUQKQ-ZDUSSCGKSA-N 468.961 6.591 50 10 JKGE O=[N+]([O-])c1ccc(C[C@@H](Br)c2ccc(Cl)cc2I)cc1 2365589012 QCDHUBNIUMFXRV-CYBMUJFWSA-N 466.500 5.532 50 10 JKGE CC(C)(C)OC(=O)N[C@]12CCC(F)(F)C[C@H]1CN(C[C@H](CBr)C(C)(C)C)C2 2370149095 LZOOHJNKTWCYBQ-DOXZYTNZSA-N 453.412 5.058 50 10 JKGE COc1c(F)cc([C@@H](Br)c2ccc(Cl)c(I)c2)cc1F 2370450631 IECRISKNVRXWGL-ZDUSSCGKSA-N 473.482 5.716 50 10 JKGE CC1CCC([C@H](CCl)NCc2ccc(I)c(Br)c2)CC1 2379755837 RLWRXLPWKXTVCD-TZDAIYRESA-N 470.620 5.577 50 10 JKGE Clc1ccc(I)cc1CN1[C@H](CBr)C[C@@H]2CCCC[C@@H]21 2380513128 RIRFWYUZEAARKE-PJODQICGSA-N 468.604 5.473 50 10 JKGE CCOc1ccc(N/C(SCc2ccc(Cl)cc2)=C(/C#N)C(=O)NCc2ccco2)cc1 3058781 WONOMBZAZKVCDS-ZNTNEXAZSA-N 467.978 5.729 50 10 JKGE CC(=NNC(=O)COc1cc(Cl)c(Cl)cc1Cl)c1cccc(Br)c1 4156112 IRAKLSDBVKFJEF-UHFFFAOYSA-N 450.547 5.329 50 10 JKGE Cc1cc([C@@H]2C(C#N)=C(N)N(c3ccc(C)c(Cl)c3)C3=C2C(=O)CC(C)(C)C3)c(C)s1 9982138 ARXBCDNVGVIBOM-JOCHJYFZSA-N 452.023 6.268 50 10 JKGE CC[C@H](C)c1ccc(OCC(=O)NNC(=O)COc2ccccc2[C@H](C)CC)c(Br)c1 14832193 FJIMDAQKMIBLJE-DLBZAZTESA-N 491.426 5.081 50 10 JKGE CCCCCN1C(=O)C(C#N)=C(C)/C(=C\c2ccc(OCc3ccc(F)cc3)c(OC)c2)C1=O 38603985 ZLWZWLRJIDXFEZ-HYARGMPZSA-N 462.521 5.196 50 10 JKGE Cc1ccc2c(Cl)c(C(=O)Oc3ccc4c(c3)OC(N)=C(C#N)[C@H]4c3ccccc3F)sc2c1 38687924 KUOUTUFRDNYKEB-QFIPXVFZSA-N 490.943 6.440 50 10 JKGE Cc1ccc(Oc2nc3c(C)cccn3c(=O)c2/C=C(/C#N)C(=O)Nc2cccc(Cl)c2)cc1 39858551 AHZFUDHTNMAZOF-AQTBWJFISA-N 470.916 5.303 50 10 JKGE COc1cc(/C=N/NC(=O)COc2ccc(Cl)cc2Cl)ccc1OCc1ccccc1C 40911521 NXRRVGSNXFNFHY-UVHMKAGCSA-N 473.356 5.419 50 10 JKGE CCc1cc(Br)ccc1-c1ccc(/C=C(\C#N)C(=O)Nc2ccc(Cl)cc2)o1 58833322 CXKICLPXBLJCIG-NTCAYCPXSA-N 455.739 6.471 50 10 JKGE CCOc1cc(/C=C(\C#N)C(=O)Nc2cccc(C(F)(F)F)c2)c(Br)cc1O 59254485 BHLFIDNVYVVGHH-WUXMJOGZSA-N 455.230 5.118 50 10 JKGE COc1ccc(OCCOc2c(Cl)cc(Cl)cc2/C=C(/C#N)C(=O)NCc2ccccc2)cc1 96544503 GLPREXZUHMBXCI-MOSHPQCFSA-N 497.378 5.683 50 10 JKGE Fc1cc([C@H](Br)c2cc(Cl)c(Br)cc2F)ccc1Br 97895943 GPBBZWHJUFENSU-ZDUSSCGKSA-N 475.352 6.628 50 10 JKGE CCCCCCCOc1ccc(C(=O)NC(=S)NNC(=O)COc2cc(C)ccc2C(C)C)cc1 100154478 RXFJQIDJYGEOSG-UHFFFAOYSA-N 499.677 5.182 50 10 JKGE COc1cc(/C=C(/C#N)C(=O)N2CCc3ccccc32)ccc1OCc1ccc(Br)cc1 102471030 MQGVNPYOPSCMMO-STZFKDTASA-N 489.369 5.533 50 10 JKGE N#C/C(C(=O)NCc1ccccc1)=C1\S[C@@H](Cc2ccc(Cl)cc2)C(=O)N1c1ccccc1 102666503 DNTAOGUSSXZDSR-GPSDDGMOSA-N 473.985 5.083 50 10 JKGE N#C/C(=C/Nc1ccc2c(c1)OCO2)c1nc(-c2cc3cc(Br)ccc3oc2=O)cs1 102897051 QCDYZWIAMJSDAC-LCYFTJDESA-N 494.326 5.384 50 10 JKGE CCCOc1ccc(/C=C(/C#N)C(=O)Nc2sc3c(c2C(=O)OCC)CC[C@H](C)C3)cc1 108861712 JFALBQJVGVHJCK-IYWFSZBXSA-N 452.576 5.384 50 10 JKGE Cc1ccc(Br)cc1[C@@H](Cl)c1cc(Br)ccc1Br 114980358 COJNNIUXSGCVRD-CQSZACIVSA-N 453.399 6.611 50 10 JKGE CCc1nn(C)c(C[C@H](CBr)c2cccc(Br)c2)c1Br 118859382 OYGQFGMHCBPLMA-LLVKDONJSA-N 465.027 5.229 50 10 JKGE Fc1cc(Br)cc(F)c1[C@@H](Br)Cc1ccc(Br)cc1 122351049 WQCQFJSGPBWXHR-NSHDSACASA-N 454.934 6.169 50 10 JKGE COc1ccc(Br)cc1[C@H](Br)c1cc(C)c(Br)s1 126035088 ZKKNSHMSRHDOJD-LBPRGKRZSA-N 455.009 6.074 50 10 JKGE Cc1ccc(S(=O)(=O)OC[C@@H](C)[C@H]2CC[C@@H]3[C@@H](O[Si](C)(C)C(C)(C)C)CCC[C@@]32C)cc1 169878781 YPZVZHFTOWMQHV-GXWRLENGSA-N 480.787 6.943 50 10 JKGE CCCSc1ccc(-c2nn(-c3ccccc3)cc2/C=C2\C(=O)N(CCC)C(=O)C(C#N)=C2C)cc1 214219115 XMRQRTCTPIWGAV-UQQQWYQISA-N 496.636 6.044 50 10 JKGE COc1ccc([C@@H](C)NC(=O)/C(C#N)=C\Nc2cc(C(F)(F)F)cc(C(F)(F)F)c2)cc1OC 217173990 ODEITOIIZCUFNL-POKNLVKOSA-N 487.400 5.438 50 10 JKGE C[C@H](N/C=C(/C#N)C(=O)Nc1ccccc1Sc1ccccc1)c1ccc2c(c1)CCCC2 217243464 NKHKVOFLKDKBMM-MOWYTJSFSA-N 453.611 6.413 50 10 JKGE Cc1c(Cl)cccc1[C@@H](Br)c1cc(Br)sc1Br 219937324 OEKHZUUOYSFMQD-LLVKDONJSA-N 459.428 6.719 50 10 JKGE C[C@@]12CC3CC([C@@H](Br)c4cc(Br)c(Br)s4)(C1)C[C@@](C)(C3)C2 226745611 CYXWRUPUNDPAII-UNQNOCORSA-N 497.134 7.706 50 10 JKGE FC(F)(F)c1cc(Br)ccc1[C@@H](Cl)c1cc(Br)c(Cl)s1 229519117 FUWQMXDWALQPHA-SNVBAGLBSA-N 468.947 7.274 50 10 JKGE Cc1cc([C@@H](Br)c2cc(Cl)ccc2Br)sc1Br 235863099 XXQOWYBMFTUGOR-NSHDSACASA-N 459.428 6.719 50 10 JKGE Cl[C@H](c1ccc(Br)s1)c1cc(I)ccc1Br 236040255 PFWXBQIGJYUKSI-NSHDSACASA-N 492.401 6.206 50 10 JKGE COc1cccc(CN(C(=O)CCl)[C@H](C(=O)N[C@@H]2CCC[C@@H](C)[C@H]2C)c2ccc(F)cc2)c1 252586461 QEBWVOUNMHLUBH-MEROFXMNSA-N 475.004 5.084 50 10 JKGE CC(C)(C)c1ccc(OCc2ccc(C(=O)NN=Cc3c(F)c(F)c(F)c(F)c3F)cc2)cc1 254510514 CBIBLGWPFFICHY-UHFFFAOYSA-N 476.445 6.023 50 10 JKGE O=C(NN=CC1=C(c2ccccc2)Oc2ccccc2[C@H]1c1ccccc1)c1ccc([N+](=O)[O-])o1 254846511 MHOYKVUBLKYOGY-RUZDIDTESA-N 465.465 5.539 50 10 JKGE CC(C)(C)OC(=O)N1CCC[C@@](CI)(OCc2ccccc2Cl)C1 303741894 SGGXQUIOCSSTRN-SFHVURJKSA-N 465.759 5.061 50 10 JKGE COc1cc(Cl)c([C@H](Br)c2ccc(OCc3ccccc3)cc2)cc1Cl 388880703 SAIBIBFIQZMQPY-OAQYLSRUSA-N 452.175 7.065 50 10 JKGE CC(C)(C)OC(=O)N1CC[C@@H](c2ccccc2CO[Si](C)(C)C(C)(C)C)c2ccccc21 616590130 WOGZHZNPKXONSS-QFIPXVFZSA-N 453.699 7.486 50 10 JKGE CC(C)(C)[Si](C)(C)OCCc1ccccc1C1CCN(CCO[Si](C)(C)C(C)(C)C)CC1 616609272 ONZPCVBGYNOBQZ-UHFFFAOYSA-N 477.882 7.452 50 10 JKGE C[C@H](COCc1ccccc1)COc1c(Br)cc(Br)cc1CCl 719524433 RMHHGWNLWPAIPL-CYBMUJFWSA-N 462.609 6.182 50 10 JKGE CCOc1ccc([C@H](O)CCC(=O)NN=Cc2cn(Cc3ccccc3F)c3ccccc23)cc1 725429067 NTIUMTRCKCERQE-HHHXNRCGSA-N 473.548 5.191 50 10 JKGE CO[C@H](C(=O)NN=Cc1c(Br)c(C)n(-c2cccc(C)c2)c1C)c1ccccc1 1084134742 HXTRQVFJELWHGD-QFIPXVFZSA-N 454.368 5.003 50 10 JKGE O=C(NN=Cc1cc(Br)ccc1OCc1ccc2c(c1)OCO2)c1cc2ccccc2o1 1084545953 SQNNRDGWGMQGKQ-UHFFFAOYSA-N 493.313 5.267 50 10 JKGE Cc1c(C(=O)Nc2cc(Cl)cc(Cl)c2)oc2c1C(=NNC(=O)c1ccccc1O)CCC2 1772751976 QHTSWKSNOUFEBP-UHFFFAOYSA-N 472.328 5.323 50 10 JKGE O=C(CSc1nc(-c2ccccc2)cs1)NN=Cc1ccc(OCc2ccccc2Cl)cc1 1772754923 ABONAFGAXIBEIO-UHFFFAOYSA-N 494.041 6.285 50 10 JKGE N#CC1=C(N)Oc2c(c(C(F)(F)F)nn2-c2ccc(Cl)c(Cl)c2)[C@H]1c1ccccc1 1865680756 VCOWMMIFXJAMIQ-HNNXBMFYSA-N 451.235 5.416 50 10 JKGE N#CC1=C(N)Oc2c(c(C(F)(F)F)nn2-c2ccc(Cl)c(Cl)c2)[C@H]1c1cccs1 1865697756 AYGRRCFFLFRAKE-CYBMUJFWSA-N 457.264 5.478 50 10 JKGE CCc1nn(Cc2ccc(C)cc2)c2c1[C@H](c1ccc(OC(=O)c3ccccc3)cc1)C(C#N)=C(N)O2 1865704914 HUYISWRFJJWOLF-AREMUKBSSA-N 490.563 5.240 50 10 JKGE COc1ccc(-c2nn(Cc3cccc(Cl)c3)c3c2[C@@H](c2ccccc2OC)C(C#N)=C(N)O3)cc1 1865709412 BSNXOQVXGQCZDG-DEOSSOPVSA-N 498.970 5.487 50 10 JKGE COc1ccc(Oc2c(C(F)(F)F)oc3cc(OC(=O)C(Cl)Cl)ccc3c2=O)cc1 1871385013 AALWNULCGPBTPS-UHFFFAOYSA-N 463.191 5.322 50 10 JKGE CC(C)(C)c1ccc(OCCC/C(O)=C(\C#N)c2nc(-c3ccc(F)c(F)c3)cs2)cc1 1872751565 NJCCZVHLIWVKKC-NMWGTECJSA-N 454.542 7.038 50 10 JKGE N#C/C(=C(/O)c1cc(Cl)ccc1Cl)c1nc(-c2ccc(Oc3ccccc3)cc2)cs1 1872753789 MYOOBOJOUWKNJO-ATJXCDBQSA-N 465.361 7.859 50 10 JKGE CCOc1ccc(OCC)c(-c2csc(/C(C#N)=C(\O)C34CC5CC(CC(C5)C3)C4)n2)c1 1872754671 DCOMINXEVYJRRU-FLFQWRMESA-N 450.604 6.617 50 10 JKGE COc1ccc(Cl)cc1-c1csc(/C(C#N)=C(\O)[C@H](C)Oc2ccc(Cl)cc2Cl)n1 1872758781 QHMSSEBLCFVEKE-RENDPVAQSA-N 481.788 7.039 50 10 JKGE COc1ccc(-c2csc(/C(C#N)=C(\O)COc3ccc(C)c(C)c3)n2)c(OC)c1OC 1872759728 XVIDGSQMJLHKRV-ZZEZOPTASA-N 452.532 5.324 50 10 JKGE CCOc1ccc(-c2csc(/C(C#N)=C/c3ccc(OCc4ccc(C)cc4)cc3)n2)cc1 1872790676 YBXHPKTZLRAMGF-LFVJCYFKSA-N 452.579 7.160 50 10 JKGE CCCCOc1ccc(/C=C(\C#N)c2nc(-c3ccc(OCC)cc3OCC)cs2)cc1OC 1872793844 WXWUKXLRIPJOOP-XSFVSMFZSA-N 478.614 6.859 50 10 JKGE COc1cccc(/C=C(\C#N)c2nc(-c3c(C)cc(C)cc3C)cs2)c1OCc1cccc(C)c1 1872794160 MSLSJJPQWIQWJT-MFKUBSTISA-N 480.633 7.696 50 10 JKGE C[C@H](CCBr)N(Cc1ccccc1)C(=O)c1ccc(Br)c(Cl)c1 1915131171 UBWHHEFMMWTPGZ-CYBMUJFWSA-N 459.609 5.918 50 10 JKGE O=S(=O)(c1cc(Cl)ccc1Cl)N(Cc1ccccc1)[C@@H](CBr)C1CC1 1915170582 SUIBASKYFWYCSP-KRWDZBQOSA-N 463.224 5.358 50 10 JKGE Cc1ccc(Br)c(C(=O)N(Cc2ccccc2)[C@@H](CBr)C(C)C)c1 1915298512 UNRBEYVDUAZTPH-IBGZPJMESA-N 453.218 5.819 50 10 JKGE CC[C@@H](CC(F)(F)F)[C@@H](Br)c1sc(Br)cc1Br 1922896917 JIWMUURBEILNMT-YLWLKBPMSA-N 458.963 6.688 50 10 JKGE Cc1c(Br)sc([C@@H](Br)c2ccc3c(c2)COC3)c1Br 1922903414 XKXXAZYSHZHCOL-LBPRGKRZSA-N 467.020 6.096 50 10 JKGE Cc1c(Br)sc([C@@H](Br)C2(C(F)(F)F)CC2)c1Br 1922920149 DABBQTZJJNXRMA-SSDOTTSWSA-N 456.947 6.360 50 10 JKGE Fc1ccc([C@@H](Br)c2sc(Br)cc2Br)c(Cl)c1 1922937091 XQDVNWXOWTZFPA-SNVBAGLBSA-N 463.391 6.550 50 10 JKGE COc1csc([C@H](Br)c2sc(Br)c(C)c2Br)c1 1922944285 YGNFHGQIMGIILV-VIFPVBQESA-N 461.038 6.136 50 10 JKGE COc1ccccc1C[C@@H](Br)c1sc(Br)cc1Br 1922946751 VCDRMYKLGJZTGV-SECBINFHSA-N 455.009 5.960 50 10 JKGE COc1ccc(OC)c([C@H](Cl)c2c(Br)sc(Br)c2Cl)c1 1923048757 IRHLECAPESBZKS-JTQLQIEISA-N 461.002 6.272 50 10 JKGE Fc1ccc2cc([C@H](Cl)c3c(Br)sc(Br)c3Cl)sc2c1 1923050393 UQAKZCBPQAJOEU-JTQLQIEISA-N 475.029 7.609 50 10 JKGE FC1(F)CCC[C@@H]1C[C@@H](Br)c1c(Br)sc(Br)c1Cl 1923063272 XJKULEKVGDTSQI-PHDIDXHHSA-N 487.429 7.188 50 10 JKGE Cl[C@@H](CC1CCCCCC1)c1c(Br)sc(Br)c1Br 1924592267 XKEDNJGJHAKDJS-VIFPVBQESA-N 479.503 7.676 50 10 JKGE C[C@@H]1C[C@@H]1CC[C@H](Br)c1c(Br)sc(Br)c1Cl 1989526057 AABLHMOHTNJKLF-VQVTYTSYSA-N 451.449 6.799 50 10 JKGE Cc1cc(Br)c([C@H](Cl)c2cc(Br)cs2)cc1Br 2004901622 BEZQSGJGETYUQE-LBPRGKRZSA-N 459.428 6.672 50 10 JKGE FC(F)c1ccc([C@H](Br)c2sc(Br)cc2Br)cc1 2052511853 ZXFVQOFUXBIULE-JTQLQIEISA-N 460.963 6.695 50 10 JKGE Cc1c(Br)sc([C@H](Br)[C@@H]2CCC[C@H]2C(C)C)c1Br 2056447818 KSEGRPIBWWPQMX-HOSYDEDBSA-N 459.085 7.090 50 10 JKGE C[C@@]12CC[C@@]([C@H](Cl)c3c(Br)sc(Br)c3Br)(CO1)C2 2058138887 JWXZFYAPRVRGEE-ZHAHWJHGSA-N 479.459 6.275 50 10 JKGE FC(F)(F)[C@@H]1CN(Cc2ccccc2)C[C@H]1n1c(Cl)nc(Cl)c1CBr 2072950795 HXQVOTAYCDIXIF-DGCLKSJQSA-N 457.121 5.320 50 10 JKGE BrCc1c(Br)cccc1N1CC[C@H]2CCN(Cc3ccccc3)C[C@@H]2C1 2092524681 SGTIXZJUVPCCHF-RTBURBONSA-N 478.272 5.692 50 10 JKGE FC1(F)CN(Cc2ccccc2)CCCN(c2ccc(CBr)cc2Br)C1 2096466546 ABZFFCLOEWYYEF-UHFFFAOYSA-N 488.214 5.692 50 10 JKGE BrCc1cc(Br)ccc1N1CCC[C@@]2(CCN(Cc3ccccc3)C2)C1 2107014115 CRNGYGNZIXORHG-QFIPXVFZSA-N 478.272 5.837 50 10 JKGE Fc1ccc(Br)c(CC[C@@H](Br)c2cccc(Br)c2)c1 2113488504 DVHMXZAEONCEMZ-CQSZACIVSA-N 450.971 6.420 50 10 JKGE CC(C)[C@H]1CN(c2cc(Br)cc(F)c2CBr)CCN1Cc1ccccc1 2114266021 MFBCGXBQBADKQG-OAQYLSRUSA-N 484.251 5.830 50 10 JKGE CC(C)[C@@H](C)N(Cc1ccccc1)S(=O)(=O)c1cc(Cl)cc(CBr)c1F 2123269421 IQQBWEVWYBJZSQ-CQSZACIVSA-N 462.812 5.609 50 10 JKGE Cc1cc(Br)c(C)c([C@H](Br)C[C@H]2OCC[C@H]2C)c1Br 2136370056 HFNGMVFNLBOHBM-BZHVJNSISA-N 455.028 6.080 50 10 JKGE CCN(C[C@](C)(CI)O[C@@H]1CCC[C@H]2CCCC[C@H]21)C(=O)OC(C)(C)C 2136423304 LZUHBLCFRFMAPN-IKVWTGGYSA-N 479.443 5.813 50 10 JKGE Cc1c(F)ccc([C@@H](Br)c2ccc(I)c(Br)c2)c1C 2138893005 YJQMRBYRIYZLRK-HNNXBMFYSA-N 497.971 6.294 50 10 JKGE Cc1cccc(CC(CBr)(CBr)c2ccccc2)c1Br 2144190947 WFYRNTKEGDXXCE-UHFFFAOYSA-N 461.035 6.028 50 10 JKGE COc1cc(Br)c(C)cc1[C@H](Br)c1ccc(C)c(Br)c1 2145961836 KDGOEHYMXFHYKI-MRXNPFEDSA-N 463.007 6.321 50 10 JKGE Brc1cccc(Br)c1[C@H](Br)c1ccc2c(c1)CCCO2 2150492747 DHZPCFHNZZPLBE-MRXNPFEDSA-N 460.991 6.021 50 10 JKGE CC(C)(C)OC(=O)NC[C@H]1CC[S@@](=O)(=NCC2(CBr)CCCCC2)C1(C)C 2163062420 LFYQPRHSPLWGDW-JWIGPWBQSA-N 465.498 5.123 50 10 JKGE BrCc1cc(Br)cc(Br)c1OC[C@H]1CCCC2(CC2)C1 2168927188 BGWPZXDSIXCFSV-NSHDSACASA-N 467.039 6.456 50 10 JKGE Clc1cc(Br)cnc1C[C@@H](CBr)Cc1cccc(Br)c1 2183589554 DIHDFAPKGYIGJV-NSHDSACASA-N 482.441 6.056 50 10 JKGE Cc1ccc([C@H](Br)c2c(C)c(Br)cc(C)c2Br)cc1Cl 2201069822 LWOOIJKOSZFKJY-INIZCTEOSA-N 481.453 7.275 50 10 JKGE COc1cc(F)c(Cl)cc1[C@@H](Cl)c1ccc(Br)cc1I 2207368882 PWUHJAGUIJYPMO-AWEZNQCLSA-N 489.937 6.183 50 10 JKGE Cc1sc(Br)c(C)c1[C@@H](Br)c1ccc(I)cc1 2213634753 GDMBIIYBEJLOGT-LBPRGKRZSA-N 486.010 6.216 50 10 JKGE ClCc1cc(Cl)ccc1Nc1ncc(I)cc1Br 2223318242 JWZSFOZBBZNPJW-UHFFFAOYSA-N 457.924 5.585 50 10 JKGE Cc1ccc([C@H](Cl)[C@@H](C)c2ccncc2Br)cc1I 2224618305 HPTNEBLSLYSBAS-ZUZCIYMTSA-N 450.545 5.841 50 10 JKGE Fc1cc(Br)c(Br)cc1[C@@H](Br)[C@H]1CC2CCC1CC2 2225615587 JFHYDHBKJNLRCM-CRHYVPGXSA-N 455.003 6.613 50 10 JKGE Fc1cc(Br)c(Br)cc1[C@H](Br)[C@@H]1C[C@@H]2CCCC[C@@H]21 2225615735 KWDFGCXAXFAAOQ-SPTRTOBYSA-N 455.003 6.613 50 10 JKGE Cc1cc(Br)c([C@H](Br)[C@@H]2CCCC[C@@H]2C)c(C)c1Br 2227360847 XHVJBXBKOIWOOS-PXTQAZKISA-N 453.056 7.091 50 10 JKGE Clc1cc([C@@H](Cl)Cc2ccc(Br)cc2Cl)ccc1I 2229141828 HFXJAOLMVATKDQ-NSHDSACASA-N 490.393 6.883 50 10 JKGE CCN(C[C@](C)(CI)O[C@H]1CCC[C@H](C(F)(F)F)C1)C(=O)OC(C)(C)C 2231384779 OZYSLEYWRHDLMR-ZQIUZPCESA-N 493.348 5.575 50 10 JKGE Cc1ccc([C@@H](Br)Cc2nc3ccccc3s2)cc1I 2232826065 JUNYSILSXKGFSZ-LBPRGKRZSA-N 458.162 5.888 50 10 JKGE Fc1cc(Br)c(Br)cc1[C@@H](Br)c1cc2ncccc2s1 2233980909 ATZBCDPDNWZIHO-CQSZACIVSA-N 479.994 6.445 50 10 JKGE Cc1sc([C@@H](Br)c2cc3nc(O)[nH]c3cc2Br)cc1Br 2234476369 XRAASJMAOOFAHA-LBPRGKRZSA-N 481.007 5.648 50 10 JKGE Fc1cc(Br)c(F)c(Br)c1[C@@H](Cl)[C@H]1C[C@H](Br)C1 2250747734 PRSKWMQSLJBEFO-HGRQIUPRSA-N 453.346 5.943 50 10 JKGE COc1c(Br)cc(Cl)c(C)c1[C@H](Br)c1ncsc1Br 2277888131 KIFZEEJNTKVGRS-VIFPVBQESA-N 490.442 6.123 50 10 JKGE COc1ccc([C@@H](Br)c2cccc(OC)c2Cl)cc1I 2284998674 RZRLNMBGISGYSY-CQSZACIVSA-N 467.528 5.446 50 10 JKGE Fc1cc(Br)c(F)c(Br)c1[C@H](Br)[C@H]1CC[C@@H]1C(F)(F)F 2288345185 PUPDABWDAWBSBR-DQSPEZDDSA-N 486.898 6.514 50 10 JKGE COc1cc(C=C(C#N)C(=O)Nc2ccccc2)c(Br)cc1OCc1ccc(C)cc1 2294619991 YLWCAIMQYDREBV-UHFFFAOYSA-N 477.358 5.891 50 10 JKGE FC1(F)C[C@]12CC[C@@H]([C@@H](Br)Cc1cc(Br)cc(Br)c1)C2 2295329461 IUDTZAZHAADALR-DDTOSNHZSA-N 472.993 6.343 50 10 JKGE COc1ccc([C@H](Br)c2cc(Br)sc2Br)c(OC)c1C 2295418067 BSXBYOIBYURLBI-LBPRGKRZSA-N 485.035 6.083 50 10 JKGE N#CC1=C(N)OC2=C(CCCC2=Cc2ccccc2Br)[C@H]1c1ccccc1Br 2297504919 SYQZYJOPPGHJHC-OAQYLSRUSA-N 498.218 6.541 50 10 JKGE C[C@]12CO[C@]([C@H](Br)c3ccc(OCc4ccccc4)cc3Br)(C1)C2 2299491229 DASLNPBLHSGRSH-AQNXPRMDSA-N 452.186 6.033 50 10 JKGE Clc1ccc([C@H](Cl)c2cc(Br)c(Cl)s2)c(I)c1 2301793491 CGAWONMTWZNJHK-JTQLQIEISA-N 482.395 6.750 50 10 JKGE Cc1scc([C@@H](Br)c2c(C)sc(Br)c2C)c1Br 2303599985 BJSPYLGRAHWBKI-LLVKDONJSA-N 459.066 6.744 50 10 JKGE Cc1c(C=C(C#N)C(=O)N2CCN(c3ccccc3)CC2)c2ccccc2n1Cc1ccccc1F 2313567320 IVVOYJJHUYZAJB-UHFFFAOYSA-N 478.571 5.393 50 10 JKGE COc1cc(C=C(C#N)C(=O)Nc2cccc(Cl)c2Cl)ccc1OC(=O)c1ccc(C)cc1 2313631724 USPFTHBBAYEEPP-UHFFFAOYSA-N 481.335 6.075 50 10 JKGE CCOc1ccc(NC(=O)C(C#N)=Cc2cc(Br)ccc2OCc2ccccc2F)cc1 2313671285 YOIRUNOBHQVTSG-UHFFFAOYSA-N 495.348 6.112 50 10 JKGE N#CC(=Cc1ccc(OCc2ccc(Br)cc2)cc1)C(=O)Nc1cccc2ccccc12 2313681055 BXMOYARHFWPKSW-UHFFFAOYSA-N 483.365 6.727 50 10 JKGE FC1(F)CCOC[C@@H]1[C@@H](Br)c1cc(Br)ccc1OCc1ccccc1 2314462931 WKUFGMOVZVBQHH-AEFFLSMTSA-N 476.155 6.136 50 10 JKGE FC1(F)CCOC[C@@H]1[C@H](Br)c1cc(Br)ccc1OCc1ccccc1 2314462933 WKUFGMOVZVBQHH-SJLPKXTDSA-N 476.155 6.136 50 10 JKGE N#CC(=Cc1cn(-c2ccccc2)nc1C12CC3CC(CC(C3)C1)C2)S(=O)(=O)c1ccccc1 2314476674 SXOBERNRSOZPRO-UHFFFAOYSA-N 469.610 5.678 50 10 JKGE CCc1ccc(N2C(=O)[C@H](Cc3ccc(F)cc3)SC2=C(C#N)C(=O)Nc2cccc(C)c2)cc1 2314591786 DWNBDACSHCVQJM-VWLOTQADSA-N 485.584 5.762 50 10 JKGE CCCCNC(=O)C(C#N)=Cc1ccc(OC(=O)C(=Cc2ccccc2)c2ccccc2)c(OC)c1 2314777679 PNOMHEIUJNLAIY-UHFFFAOYSA-N 480.564 5.665 50 10 JKGE CCCCCCOc1ccc(C=C(C#N)C(=O)Nc2nc3c(C)cc(C)cc3s2)cc1OC 2314792597 APYVBLHTTMHMQU-UHFFFAOYSA-N 463.603 6.427 50 10 JKGE COCc1ccc([C@H](Cl)c2ccc(Br)cc2I)s1 2315093402 QJZUOABRKXRSDF-CYBMUJFWSA-N 457.558 5.590 50 10 JKGE CC(C)C(F)(F)[C@H](Br)c1c(Cl)cc(Br)c(F)c1Br 2315453805 QDGAQEDESZQXDY-SNVBAGLBSA-N 473.352 6.731 50 10 JKGE CCCc1sc(Br)cc1[C@@H](Cl)c1ccc(I)cc1 2316173900 WAGYEKZZGNKEND-AWEZNQCLSA-N 455.586 6.396 50 10 JKGE CC(C)[C@H](Br)C(C)(C)NC(=O)c1csc(Br)c1Br 2318062412 RCEOWFMVWPZZDT-VIFPVBQESA-N 462.045 5.201 50 10 JKGE CCN(CC)S(=O)(=O)c1ccc(C(=O)Oc2ccc(C=C(C#N)c3ccccc3OC)cc2)cc1 2318356337 TZHZPAJBPKHGEZ-UHFFFAOYSA-N 490.581 5.009 50 10 JKGE CCOc1cc(C=NNC(=O)c2ccc(-c3ccc(Cl)cc3Cl)nc2C)ccc1OC 2321242190 MCELAMJLVFCYSN-UHFFFAOYSA-N 458.345 5.535 50 10 JKGE N#CC(=CNc1cccc(Cl)c1)C(=O)N1CCN(C(c2ccccc2)c2ccccc2)CC1 2324602960 GJFRLVRNMQTEFB-UHFFFAOYSA-N 456.977 5.093 50 10 JKGE CCOc1ccc(C)cc1[C@H](C)NC(=O)C(C#N)=CNc1ccc(Cl)c(C(F)(F)F)c1 2325072420 XTRRIIJRACWSHV-AWEZNQCLSA-N 451.876 5.763 50 10 JKGE CC(C)[C@@H]1[C@@H](Br)CCN1Cc1ccc(I)c(Br)c1 2325209590 PJCKTLKSQYBVJY-SMDDNHRTSA-N 487.017 5.048 50 10 JKGE CCOc1cc(NC(=O)c2ccccc2)c(OCC)cc1NC(=O)C(C#N)=Cc1ccc(F)cc1 2329638802 TUEBDYHKKVCOBY-UHFFFAOYSA-N 473.504 5.421 50 10 JKGE COc1ccc(C)cc1-c1csc(C(C#N)=C(O)c2ccccc2C(=O)c2ccccc2)n1 2331323035 WCOHTRYDVCMPPG-UHFFFAOYSA-N 452.535 6.308 50 10 JKGE COc1ccc(C)cc1-c1csc(C(C#N)=C(O)[C@@H](CC(C)C)N2C(=O)c3ccccc3C2=O)n1 2331323057 ZDYMHDBAEPGFBK-JOCHJYFZSA-N 487.581 5.631 50 10 JKGE CCOc1ccc(OCC)c(-c2csc(C(C#N)=C(O)Cc3ccc(Cl)c(Cl)c3)n2)c1 2331376004 DRABWXVFGNOGML-UHFFFAOYSA-N 475.397 6.950 50 10 JKGE CCOc1ccc(-c2csc(C(C#N)=C(O)COc3c(C)ccc(C)c3C)n2)c(OCC)c1 2331386599 RCOFMGIBQCLEAF-UHFFFAOYSA-N 464.587 6.404 50 10 JKGE COc1ccc(-c2csc(C(C#N)=C(O)c3ccccc3C(=O)c3ccccc3)n2)cc1Cl 2331398086 DRTRRACHDZLJNO-UHFFFAOYSA-N 472.953 6.653 50 10 JKGE COc1ccc(Cl)cc1-c1csc(C(C#N)=C(O)CCCOc2ccc(Cl)cc2)n1 2331411060 JHLDFIIOKBBGRJ-UHFFFAOYSA-N 461.370 6.777 50 10 JKGE COc1cc(C=C(C#N)c2nc(-c3ccc(F)cc3F)cs2)ccc1OCc1ccccc1 2331436066 DGTQYPWGSWCWFP-UHFFFAOYSA-N 460.505 6.740 50 10 JKGE C[C@@]1([C@@H](Br)c2ccc(OCc3ccccc3)cc2Br)CCCC(F)(F)C1 2336047966 QBPYLYYVRUONQQ-VQTJNVASSA-N 488.210 7.680 50 10 JKGE Brc1ccc(OCc2ccccc2)c([C@H](Br)[C@@H]2CCn3ncnc3C2)c1 2336083192 IFZJIPFJGGIALZ-FOIQADDNSA-N 477.200 5.318 50 10 JKGE O=S1(=O)CCC[C@H]1[C@H](Br)c1c(Cl)cc(Br)c(F)c1Br 2337096436 HHEYENXTDXLLIG-CBAPKCEASA-N 499.421 5.017 50 10 JKGE COc1c(Br)cc(C)c([C@H](Br)C(C)(C)CCF)c1Br 2339659715 VVQBFVPGVCIQHH-ZDUSSCGKSA-N 461.007 6.350 50 10 JKGE ClCc1cc(Br)ccc1OCc1ccc(Cl)cc1I 2340109751 IMHZALQIJIHXJO-UHFFFAOYSA-N 471.947 6.025 50 10 JKGE CCC[C@@H]1CC[C@@H](Br)[C@H](Cc2ccc(Cl)cc2I)C1 2341046898 GFGIJDYVMCLVNL-OSAQELSMSA-N 455.605 6.467 50 10 JKGE Brc1cc2c(cc1[C@H](Br)c1cscc1OCc1ccccc1)CCCO2 2343580448 LIPOWZKSWWHXNT-NRFANRHFSA-N 494.248 6.899 50 10 JKGE Cc1cc(Br)c(F)c(Br)c1[C@@H](Br)[C@@H]1O[C@H]2CC[C@H]1C2 2352553891 OKXANCQQCHQPRK-QRMKLMNHSA-N 456.975 5.663 50 10 JKGE COc1ccc(CBr)c(Oc2cc(Cl)c(C)cc2I)n1 2361704728 VDKZXAMGNAIGRC-UHFFFAOYSA-N 468.516 5.344 50 10 JKGE COc1c(C(C)C)cc(Br)cc1[C@H](Br)c1cnsc1Br 2362500700 KFPZMDIAVAAOIL-LBPRGKRZSA-N 484.051 6.284 50 10 JKGE Cl[C@@H]1C[C@H](Oc2cc(Br)cc(I)c2)[C@]12CCCC21CC1 2364268200 RZKAYPDQSSGADX-YCPHGPKFSA-N 467.572 5.763 50 10 JKGE Cc1cc(Br)c(F)c(Br)c1[C@@H](Br)[C@@H]1CC12CCCCC2 2365188834 ORORQGSSDHDRCX-GWCFXTLKSA-N 469.030 7.066 50 10 JKGE COc1c(Br)cc(C)c([C@H](Br)C[C@H]2CC[C@@H](C)O2)c1Br 2365216548 VMMIZRIBOSGCMX-GMTAPVOTSA-N 471.027 5.922 50 10 JKGE CN(C(=O)c1ccc(Cl)cc1I)C1(CBr)CCCCC1 2365582077 MLHIZQSUXGTBEH-UHFFFAOYSA-N 470.576 5.114 50 10 JKGE COc1cc([C@H](Cl)c2c(Br)cc(C)c(Br)c2C)sc1Cl 2365836759 VSNSWNZGEBBEMK-ZDUSSCGKSA-N 459.030 6.880 50 10 JKGE Fc1cccc(C[C@H](CBr)Cc2ccc(Cl)cc2I)c1 2366715594 QYPZXRZJWDCSLW-LBPRGKRZSA-N 467.547 5.880 50 10 JKGE COc1c(C)cc(Br)c(C)c1[C@@H](Br)c1csc(C)c1Br 2369594796 UWAMBRWEVKFJHF-AWEZNQCLSA-N 483.063 6.691 50 10 JKGE CC(C)(C)OC(=O)N[C@@]12CCC(F)(F)C[C@@H]1CN(C[C@@H](CBr)C(C)(C)C)C2 2370219688 LZOOHJNKTWCYBQ-SPYBWZPUSA-N 453.412 5.058 50 10 JKGE C[C@](CCl)(NCc1ccc(I)c(Br)c1)c1ccccc1 2377316013 KWNUUAQMBISCQO-MRXNPFEDSA-N 464.572 5.298 50 10 JKGE FC(F)(F)[C@H]1C[C@@H](CO[C@H](CI)c2ccc(Br)cc2)C1 2381171270 UCGAPJSZDPJPTD-SUZMYJTESA-N 463.075 5.530 50 10 JKGE FC(F)(F)CC1CCC([C@@H](Br)c2cc(Br)c(Br)s2)CC1 2381979437 JJFIDHPZOPLLSM-OIAXGBPSSA-N 499.028 7.468 50 10 JKGE CC(C)(C)[C@H]1CCc2c(C(=O)N/N=C/c3cn(Cc4ccccc4)c4ccccc34)csc2C1 2113203 GNKJTAIDPKPGPC-DVCVSJLKSA-N 469.654 6.666 50 10 JKGE Cc1cccc(C[C@H]2S/C(=C(\C#N)C(=O)Nc3cccc4ccccc34)N(c3ccccc3)C2=O)c1 2344286 FZLRXLQPRYFMOR-OHQITXMPSA-N 489.600 6.213 50 10 JKGE COc1cc(Br)ccc1OCC(=O)N/N=C/c1ccc(-c2ccc(Cl)cc2Cl)o1 3087117 MEXWSHWXDJMACM-YSURURNPSA-N 498.160 5.554 50 10 JKGE O=C(CCCOc1ccc(Cl)cc1Cl)NNC(=O)COc1ccc(-c2ccccc2)cc1 13981592 MWWIDOYMSHLHFR-UHFFFAOYSA-N 473.356 5.046 50 10 JKGE CC(C)(C)c1ccc2c(c1)O[C@@H](C(=O)N/N=C/c1cc(Cc3ccccc3Cl)ccc1O)CO2 26593308 NVERHGUKFYXODZ-MYQKJCMASA-N 478.976 5.224 50 10 JKGE N#C/C(C(=O)Nc1cccc2ccccc12)=C1\S[C@@H](Cc2ccccc2)C(=O)N1c1ccccc1 33517851 ANACNVMZHFQITH-KFRXSKPZSA-N 475.573 5.905 50 10 JKGE CCCSc1ccc(-c2nn(-c3ccccc3)cc2/C=C(\C#N)C(=O)NCc2ccccc2)cc1 35445882 UNLUJPXNSFLFGU-HKOYGPOVSA-N 478.621 6.265 50 10 JKGE Cc1cc(OCC(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@H]3c2ccc(C(C)C)cc2)ccc1Cl 38649567 ZIGGYBPBTOAGBT-MHZLTWQESA-N 488.971 5.974 50 10 JKGE C=CCOc1ccc(C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@H]3c2ccc(Cl)cc2)cc1 38651366 JOHVJUCLYOIEON-DEOSSOPVSA-N 458.901 5.342 50 10 JKGE Cc1ccc(OCC(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@@H]3c2ccc(Cl)c(Cl)c2)cc1C 38655970 WYRYQHYHNUCNKO-RUZDIDTESA-N 495.362 5.813 50 10 JKGE Cc1ccccc1OCC(=O)Oc1ccc2c(c1)OC(N)=C(C#N)[C@@H]2c1cccc2ccccc12 38657705 BBRKACUMHGGAON-MUUNZHRXSA-N 462.505 5.351 50 10 JKGE N#C/C(=C\c1ccc(-c2cc(Cl)cc(Cl)c2)o1)C(=O)Nc1ccc(C(F)(F)F)c(Cl)c1 39884871 DAUKUAFKEZWBLD-KPKJPENVSA-N 485.676 7.471 50 10 JKGE Cc1cc(C)c2c(CC(=O)N/N=C3\CCCc4oc(C(=O)NCc5ccccc5)c(C)c43)coc2c1 40826918 QBYNDFHEZWUJBL-DFKUXCBWSA-N 483.568 5.280 50 10 JKGE COc1cc(/C=N/NC(=O)COc2ccc(Cl)c(C)c2)ccc1OCc1ccc(Cl)cc1 40846879 IMRIHQPESSATCX-UVHMKAGCSA-N 473.356 5.419 50 10 JKGE BrC[C@@H](Cc1cc(Br)cs1)Cc1ccccc1Br 97185934 HIUODQJVZGGXEU-SNVBAGLBSA-N 453.037 6.069 50 10 JKGE O=C(N/N=C/c1ccccc1OCc1ccc(Br)cc1)c1cccc2ccccc12 97729849 KGFMHPGMILUCNJ-JVWAILMASA-N 459.343 5.945 50 10 JKGE O=c1c(Br)cc(Br)cn1CCCCCCCCCBr 97798002 UQJQWODUJHVTCQ-UHFFFAOYSA-N 458.032 5.499 50 10 JKGE C[C@@H]1CCCCN1C(=O)[C@@]12CC[C@@](C(Br)Br)([C@@H]1Br)C2(C)C 100935283 PIUSTXQHXAPGON-LZJQFABFSA-N 486.086 5.073 50 10 JKGE CCCCCCCCOc1ccc(/C=N/NC(=O)CSCC(=O)Nc2ccccc2)cc1 103733306 YXMQOQJFZNXTKL-NLRVBDNBSA-N 455.624 5.248 50 10 JKGE Brc1ccc([C@@H](CI)O[C@@H]2CCCc3ccccc32)cc1 162077671 VGHBPDPCLAAZTO-QZTJIDSGSA-N 457.149 6.019 50 10 JKGE Clc1ccccc1[C@H](CI)OCc1cccc(Br)c1 162548043 VMCOZDGXHHECEW-HNNXBMFYSA-N 451.529 5.795 50 10 JKGE CCN1CCN(c2ccc(NC(=O)/C(C#N)=C/c3cc(C)n(-c4ccc(OC)cc4)c3C)c(C)c2)CC1 212472078 BEINUTTWRJLESM-NCELDCMTSA-N 497.643 5.099 50 10 JKGE Cc1ccc(Cl)cc1[C@@H](Br)c1cc(Br)sc1Br 213925366 LKAVSFIRUNVOJA-LLVKDONJSA-N 459.428 6.719 50 10 JKGE CCCCCN1C(=O)C(C#N)=C(C)/C(=C/c2cn(-c3ccccc3)nc2-c2ccc(OCC)cc2)C1=O 214231393 IMTRUHNEGYXMRH-ITYLOYPMSA-N 494.595 5.720 50 10 JKGE Cc1cc(Br)c([C@@H](Br)[C@H]2CCCCC2(C)C)cc1Br 226684397 JRGKSPDEKJQTJN-IUODEOHRSA-N 453.056 7.172 50 10 JKGE CC(C)(C)c1ccc([C@H](Cl)c2cc(I)ccc2Br)s1 232513171 ZZUMCHAFWFZJTB-CQSZACIVSA-N 469.613 6.741 50 10 JKGE COc1cc(F)c([C@@H](Br)c2ccc(Br)cc2Br)c(F)c1 234989192 BQULWGDZXPGEFY-AWEZNQCLSA-N 470.933 5.983 50 10 JKGE C[C@@H](Cl)c1nnc(Nc2c(Br)cc(Br)cc2Br)o1 235164005 ROBLTRMWSMSAJF-SCSAIBSYSA-N 460.351 5.401 50 10 JKGE CC(=NNC(=O)c1ccc(CN(Cc2ccccc2)S(=O)(=O)c2ccccc2)cc1)c1ccccc1 254759790 RCVDBZWFVGAHBO-UHFFFAOYSA-N 497.620 5.232 50 10 JKGE O=C(CSc1nnc(-c2ccccc2)n1-c1ccccc1)NN=Cc1c(O)ccc2ccccc12 254806429 RIEPJFPWJAZQJK-UHFFFAOYSA-N 479.565 5.036 50 10 JKGE CC1(C)[C@@]2(C(Br)Br)CC[C@@]1(C(=O)Nc1ccc(F)cc1)[C@H]2Br 261366815 XLTTVWGMIJSEPK-UVBJJODRSA-N 498.028 5.450 50 10 JKGE C[C@H](COCc1ccccc1)Cn1c(CCCl)nc2cc(I)ccc21 390406869 BTZXTMTZTSTVQH-HNNXBMFYSA-N 468.766 5.275 50 10 JKGE CC(C)(C)[Si](C)(C)OCc1cccc([C@@H]2COCCCN2S(=O)(=O)c2ccccc2)c1 616598659 OWKUHRUKWGAMOW-QHCPKHFHSA-N 461.700 5.361 50 10 JKGE CC(C)(C)[Si](C)(C)OCc1ccccc1[C@@H]1CN(S(=O)(=O)c2ccccc2)c2ccccc2N1 616681268 UIBKVTUDEAWRLX-VWLOTQADSA-N 494.733 6.571 50 10 JKGE C[C@H]1[C@H](Br)C[C@H]2CC[C@H]1N2C(=O)c1cc(Br)sc1Br 686196027 WTSHYAIKLBEVJH-MVHNUAHISA-N 472.040 5.050 50 10 JKGE Brc1cc2c(c([C@@H](Br)c3cscc3Br)c1)OCCC2 688383320 WGEKYAKEMJYMKL-CYBMUJFWSA-N 467.020 6.082 50 10 JKGE C[C@@H]1CN(Cc2ccccc2)C[C@H]1Cn1c(CCl)nc2ccc(F)c(Br)c21 708580925 CSNAIMYLKCQQJY-ZBFHGGJFSA-N 450.783 5.445 50 10 JKGE CC(C)(C)OC(=O)N1CCC(CI)(OC2CCCCCCC2)CC1 721097769 FCQJZTHSZQBQON-UHFFFAOYSA-N 451.389 5.321 50 10 JKGE CC(C)c1ccc(OCC(=O)NN=Cc2ccc(OCc3ccccc3)cc2)c(Br)c1 1083887573 SVCLSLKLKGSYPQ-UHFFFAOYSA-N 481.390 5.681 50 10 JKGE CC(CC(=O)Nc1ccccc1-c1ccccc1)=NNC(=O)COc1ccc(Br)cc1 1083945521 RWTFASPRUJXZSX-UHFFFAOYSA-N 480.362 5.016 50 10 JKGE N#C/C(=C/c1ccc(OC(=O)c2ccc(Cl)cc2Cl)cc1)C(=O)Nc1cccc(Cl)c1 1084140454 UNSWFBNMDCYHKV-GDNBJRDFSA-N 471.727 6.412 50 10 JKGE COc1cccc(/C=C(/C#N)C(=O)Nc2cccc(Cl)c2)c1OCc1ccc(Cl)cc1Cl 1084208066 RBPIWLPUAITBCX-YVLHZVERSA-N 487.770 6.780 50 10 JKGE CCOc1ccc(C(=O)NN=Cc2cc(Cl)c(OCc3cccc(C#N)c3)c(OCC)c2)cc1 1084229906 LRXXJYXRCZTRDE-UHFFFAOYSA-N 477.948 5.352 50 10 JKGE N#C/C(=C/c1cc(Br)ccc1OCc1ccc(F)cc1)C(=O)Nc1cccc(Cl)c1 1084396542 SECWCEQQTBFHQJ-YVLHZVERSA-N 485.740 6.366 50 10 JKGE O=C(NN=C(CSc1nc2ccccc2[nH]1)c1cccc(Br)c1)c1ccccc1 1084481272 QAESQYLADLREMI-UHFFFAOYSA-N 465.376 5.252 50 10 JKGE CCCOc1ccc(C=NNC(=O)CSc2nc(-c3ccccc3)cs2)cc1OCC 1772755174 SASAXFRODUCMNN-UHFFFAOYSA-N 455.605 5.240 50 10 JKGE Cc1ccc(C)c(Cn2nc(C(F)(F)F)c3c2OC(N)=C(C#N)[C@@H]3c2cccc3ccccc23)c1 1865682033 DMPJKMFOVOPIAE-QFIPXVFZSA-N 474.486 5.938 50 10 JKGE N#CC1=C(N)Oc2c(c(-c3ccccc3)nn2-c2ccccc2)[C@@H]1c1ccc(Cl)c(Cl)c1 1865685699 LRALTEOXYIRFMC-OAQYLSRUSA-N 459.336 6.064 50 10 JKGE CCc1nn(-c2ccc(Cl)c(Cl)c2)c2c1[C@H](c1c(OC)ccc3ccccc13)C(C#N)=C(N)O2 1865688147 KWNBYIRXHDEIBZ-QHCPKHFHSA-N 491.378 6.121 50 10 JKGE CCCOc1cccc([C@@H]2C(C#N)=C(N)Oc3c2c(CCC)nn3Cc2c(F)cccc2Cl)c1 1865692546 CBLWJVRPAGAXRD-HSZRJFAPSA-N 480.971 5.683 50 10 JKGE CCCOc1c(OC)cccc1[C@@H]1C(C#N)=C(N)Oc2c1c(CCC)nn2Cc1cc(C)ccc1C 1865694430 YESGJTYIYCUMDQ-RUZDIDTESA-N 486.616 5.516 50 10 JKGE CCOc1cc([C@@H]2C(C#N)=C(N)Oc3c2c(-c2ccccc2)nn3C)ccc1OCc1ccccc1C 1865702798 FMBLTLMTKNMVRY-AREMUKBSSA-N 492.579 5.591 50 10 JKGE CCCc1nn(-c2ccc(C)cc2)c2c1[C@@H](c1ccc(OCc3ccccc3C)cc1)C(C#N)=C(N)O2 1865703379 UXFATWKQYJXKOP-NDEPHWFRSA-N 490.607 6.239 50 10 JKGE COc1ccc(-c2nn(-c3cccc(Cl)c3)c3c2[C@@H](c2ccc([N+](=O)[O-])cc2)C(C#N)=C(N)O3)cc1 1865713003 NZIVMARJPLFRLH-QFIPXVFZSA-N 499.914 5.328 50 10 JKGE CCCOc1ccc(-c2csc(NC(=O)/C(C#N)=C/c3cccc(Cl)c3)c2C(=O)OCC)cc1 1866129967 VARRWILJRUYZMI-CPNJWEJPSA-N 495.000 6.580 50 10 JKGE CCCC[C@@H](NC(=O)CCC(C)(C)c1ccc(C)cc1)C(=O)Nc1ccc(SC#N)cc1 1866792854 XHQJGZPRSCKJLL-HSZRJFAPSA-N 451.636 5.940 50 10 JKGE CCc1ccc(-c2csc(/C(C#N)=C(\O)c3ccc4c(c3)C(=O)N(C(C)(C)C)C4=O)n2)cc1 1872744515 WBMVGJAQZCHWBV-XDOYNYLZSA-N 457.555 5.717 50 10 JKGE N#C/C(=C(/O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1)c1nc(-c2ccc(Cl)cc2Cl)cs1 1872744655 BQFAANGNQITIFO-VKAVYKQESA-N 463.258 5.883 50 10 JKGE COc1c(C)cc(Cl)cc1-c1csc(/C(C#N)=C(\O)c2cccc(Oc3ccccc3)c2)n1 1872756819 CEEJMOYRBBFXAV-GYHWCHFESA-N 474.969 7.523 50 10 JKGE COc1cc(Cl)c(C)cc1-c1csc(/C(C#N)=C(O)/C=C/c2cccc([N+](=O)[O-])c2)n1 1872757056 OUFMGJUZKLQUPC-WWEZVLTNSA-N 453.907 6.195 50 10 JKGE CCOc1c(Br)cc(/C=C(\C#N)c2nc(-c3ccc(F)c(C)c3)cs2)cc1OC 1872791002 PXTKPGBBEMEMEB-LZYBPNLTSA-N 473.367 6.492 50 10 JKGE COc1cccc(/C=C(\C#N)c2nc(-c3ccc(F)cc3)cs2)c1OCc1cccc(C)c1 1872791786 RVQVYQXXTFJRSH-HYARGMPZSA-N 456.542 6.909 50 10 JKGE COc1cc(Cl)c(C)cc1-c1csc(/C(C#N)=C/c2cc3c(cc2[N+](=O)[O-])OCCO3)n1 1872794016 FYIUANNVFIJDLC-MKMNVTDBSA-N 469.906 5.524 50 10 JKGE CC[C@H](Br)CN(Cc1ccccc1)C(=O)c1ccc(F)cc1I 1915075345 CUKCQNCDJMUJEH-AWEZNQCLSA-N 490.154 5.246 50 10 JKGE Cc1nsc(Br)c1C(=O)N(Cc1ccccc1)[C@H](CBr)C1CC1 1915264433 RTJDIYUDZQXCPU-CQSZACIVSA-N 458.219 5.030 50 10 JKGE CC(C)[C@@H](CBr)N(Cc1ccccc1)c1nc2cc(Br)ccc2o1 1915328926 LHVXSEMOLIXRSK-QGZVFWFLSA-N 452.190 6.016 50 10 JKGE Cc1c(Br)sc([C@@H](Br)c2ccc([N+](=O)[O-])o2)c1Br 1922953639 GEJQTEFXUDBSMC-QMMMGPOBSA-N 459.941 5.567 50 10 JKGE FC(F)Oc1cccc([C@@H](Cl)c2c(Br)sc(Br)c2Cl)c1 1923050174 QYSKCZMEAAGGMI-MRVPVSSYSA-N 466.956 6.856 50 10 JKGE COc1ccc(Br)c([C@@H](Br)[C@H](C)c2ccncc2Br)c1 1924040744 PRTREZBHYJTZAF-PSLIRLAXSA-N 463.995 5.855 50 10 JKGE COCC1([C@H](Cl)c2c(Br)sc(Br)c2Br)CCCC1 1924570496 KIIHWSZJAUKBDH-SECBINFHSA-N 481.475 6.522 50 10 JKGE CCOC1CC(C[C@H](Cl)c2c(Br)sc(Br)c2Br)C1 1924591416 RAPZFCGFVSJWEO-RRQHEKLDSA-N 481.475 6.521 50 10 JKGE Cl[C@H](c1c(Br)sc(Br)c1Br)C(C1CCC1)C1CCC1 1924596302 MQRWDQDQTRAZPM-LBPRGKRZSA-N 491.514 7.532 50 10 JKGE Fc1cccc(Cl)c1C[C@@H](Br)c1c(Cl)sc(Br)c1Cl 1925591045 UIPBAEZETXWMKD-ZCFIWIBFSA-N 467.412 7.289 50 10 JKGE Clc1sc(Br)c(Cl)c1[C@H](Br)[C@@H]1CC[C@@H]2CCCC[C@@H]2C1 1925599071 LWCVWDZNJJJYRG-BTQIBKBOSA-N 461.090 7.860 50 10 JKGE CCC(CC)C[C@@H](Br)c1c(Br)sc(Br)c1Cl 1926356639 UXMZUSAYGCPGEX-SSDOTTSWSA-N 453.465 7.189 50 10 JKGE Cc1sc([C@@H](Br)c2c(Cl)cccc2Br)cc1Br 2003558708 ZBALIGNFWPXBHX-GFCCVEGCSA-N 459.428 6.719 50 10 JKGE CC1(C)[C@H]2CC[C@@H](C2)[C@@H]1[C@@H](Br)c1cc(Br)sc1Br 2029601247 UNOUTBFULGUVRW-MMSPYSMKSA-N 457.069 6.781 50 10 JKGE Cc1cc(Br)c([C@@H](Cl)c2cc(Br)sc2C)cc1Br 2034561634 KXDLLDANPJKFII-ZDUSSCGKSA-N 473.455 6.981 50 10 JKGE C[C@@]1([C@@H](Br)c2sc(Br)cc2Br)CCCCC1(F)F 2048973272 GBPUMSPQKVYAFO-QWRGUYRKSA-N 467.011 6.925 50 10 JKGE Cc1c(Br)sc([C@H](Br)C2(C(C)(F)F)CCC2)c1Br 2069944808 MHFXNFWNICXZHC-VIFPVBQESA-N 467.011 6.843 50 10 JKGE Fc1cc(Br)c([C@H](Br)c2ccc(Br)o2)c(F)c1Cl 2081842727 FDZJVQUEOOUZMV-SECBINFHSA-N 465.313 6.221 50 10 JKGE Cc1ccc(Br)c([C@@H](Br)c2c(Br)sc(C)c2C)c1 2082885843 STPWKZUWTJBBBS-CYBMUJFWSA-N 453.037 6.683 50 10 JKGE CC(C)(C)[Si](C)(C)OC[C@]1(C)COc2c1cc(I)nc2Br 2086868890 WRQGQTCLUFRCSX-HNNXBMFYSA-N 484.248 5.121 50 10 JKGE BrCc1cc(Br)c(OCCSC2CCCC2)c(Br)c1 2092710542 VXNWPTOKHRHQTP-UHFFFAOYSA-N 473.068 6.161 50 10 JKGE Fc1cc(CBr)ccc1OCc1c(Br)cccc1Br 2094091609 VXCZRLBCZZXXFI-UHFFFAOYSA-N 452.943 5.825 50 10 JKGE BrC[C@@H](Cc1c(Br)cccc1Br)C1CCCCCC1 2094100563 SRVCLYHNXOKVQI-CYBMUJFWSA-N 453.056 6.736 50 10 JKGE Cc1sccc1CC(CBr)(CBr)c1ccccc1Br 2101462588 VDGQUTWOPZBYKX-UHFFFAOYSA-N 467.064 6.089 50 10 JKGE Fc1ccccc1[C@@H](Br)CCc1c(Br)cccc1Br 2113381669 MHZMMDYWWCTELV-AWEZNQCLSA-N 450.971 6.420 50 10 JKGE Cl[C@H](CCc1ccc(Br)cc1Br)c1ccccc1Br 2113441283 GJMYSBLPYCAVEC-OAHLLOKOSA-N 467.426 6.887 50 10 JKGE ClC[C@H](Cc1cc(Br)ccc1Br)c1ccc(Br)cc1 2118524029 DYQZRICTVXXJAS-LBPRGKRZSA-N 467.426 6.539 50 10 JKGE BrCC(CBr)(Cc1cnsc1Br)C1CCCCCC1 2119234240 OCXPEPBFARARDD-UHFFFAOYSA-N 474.100 6.195 50 10 JKGE Clc1cscc1CC(CBr)(CBr)c1ccccc1Br 2120344499 UWGMYGVVVCEMIU-UHFFFAOYSA-N 487.482 6.434 50 10 JKGE CC(C)[C@@H](CBr)N(Cc1ccccc1)S(=O)(=O)c1cc(Cl)c(F)cc1F 2121055349 RAKCQMYJZADZAL-QGZVFWFLSA-N 466.775 5.229 50 10 JKGE CCCCCCC[C@@H](Br)c1c(C)c(Br)cc(C)c1Br 2136378824 GCYYGMJZUZQIRH-CYBMUJFWSA-N 455.072 7.625 50 10 JKGE Cc1cc(Br)c(C)c([C@H](Br)[C@H]2C[C@H]3CC[C@H]2C3)c1Br 2136379799 OGHBHWDDLUOYRG-CENBSLRLSA-N 451.040 6.701 50 10 JKGE Cc1cc(Cl)c(Br)cc1[C@H](Br)c1ccc(Br)c(F)c1 2137644850 ZYWYGRJZIODTNS-CQSZACIVSA-N 471.389 6.797 50 10 JKGE Cc1c(Br)ccc([C@H](Br)c2cc3sccc3s2)c1Br 2138854582 TXKFNXWSKGAXSE-AWEZNQCLSA-N 481.072 7.281 50 10 JKGE ClCc1cccc(OCc2ccc(I)c(Cl)c2)c1Br 2142949682 LRRCRHIDRBBADX-UHFFFAOYSA-N 471.947 6.025 50 10 JKGE C[C@@H]1CCC[C@@](CBr)(NC(=O)c2c(Br)cccc2Br)C1 2150491357 NVHVENBKOGOQIN-MEBBXXQBSA-N 468.027 5.285 50 10 JKGE N#Cc1ccc(Br)cc1Oc1c(CBr)ccc(Br)c1Cl 2154373651 OTQFGEHVTQSJTF-UHFFFAOYSA-N 480.381 6.424 50 10 JKGE COCc1cc(Br)c([C@@H](Br)Cc2c(Cl)cccc2Cl)s1 2161087291 WFHWXVKCMVKUCH-NSHDSACASA-N 459.030 6.643 50 10 JKGE Cn1ncc(Cl)c1CC(CBr)(CBr)c1ccccc1Br 2168231775 OEPQMKFXWZVFFK-UHFFFAOYSA-N 485.445 5.106 50 10 JKGE COc1cc([C@@H](Cl)c2cc(Br)c(Cl)s2)c(OC)cc1Br 2172568892 HLMRITQYOUUTII-GFCCVEGCSA-N 461.002 6.272 50 10 JKGE BrCc1cc(Br)cc(Br)c1OC[C@@H]1C[C@@H]2CC[C@H](C1)O2 2181276905 PUVAFAKJSKAFMK-YSCVYTRNSA-N 469.011 5.443 50 10 JKGE Cc1cccc([C@@H](Br)c2c(C)c(Br)cc(C)c2Br)c1F 2201075186 UBRTZDKAGXTBGJ-OAHLLOKOSA-N 464.998 6.760 50 10 JKGE COc1cc2c(cc1Br)nc([C@H](C)Cl)n2[C@H](C)CCOCc1ccccc1 2202312281 RGVQBLWCMMPVFT-CABCVRRESA-N 451.792 6.275 50 10 JKGE Cc1c(Br)ccc([C@H](Br)[C@]23CCCC[C@@H]2CCC3)c1Br 2203690548 DXMPSUNMYHHPEJ-DQYPLSBCSA-N 465.067 7.317 50 10 JKGE Cc1sc(Br)c(C)c1[C@@H](Br)c1cccc(Br)c1C 2218800329 JGCJCELYFQKECZ-ZDUSSCGKSA-N 453.037 6.683 50 10 JKGE CC[C@]1([C@H](Br)c2c(Br)cc(C)c(Br)c2C)CCCO1 2227361322 BQNNFNCYWFTAKB-HUUCEWRRSA-N 455.028 6.224 50 10 JKGE Clc1sc([C@H](Br)c2ccc3c(c2Br)CCO3)cc1Br 2229739100 MHICDAFTTMEANY-GFCCVEGCSA-N 487.438 6.346 50 10 JKGE Clc1cc(Br)c([C@@H](Br)C2CC3(CCCO3)C2)c(Cl)c1Cl 2232530572 SNBSFKXXUBWYHM-XXCWSLKQSA-N 463.424 6.805 50 10 JKGE Cc1sc([C@H](Br)c2c(F)cc(F)c(Br)c2F)c(C)c1Br 2236108894 LIMJJARAYMATGM-LLVKDONJSA-N 492.980 6.792 50 10 JKGE Cc1cc(F)c(Br)cc1[C@H](Br)c1cc(Br)c(Cl)s1 2258090874 LGERBNQAQIGYLE-NSHDSACASA-N 477.418 6.858 50 10 JKGE Cc1cc(F)c(Br)cc1[C@@H](Br)c1sc(Br)cc1C 2258106272 JKAJTPPGUFKQFE-GFCCVEGCSA-N 457.000 6.513 50 10 JKGE CCN(C[C@@](C)(CI)OCCc1ccccc1C)C(=O)OC(C)(C)C 2263387890 QIGYZNIQZBFNET-HXUWFJFHSA-N 461.384 5.005 50 10 JKGE C[C@@H]1CCO[C@H]1C[C@@H](Br)c1c(F)cc(Br)c(F)c1Br 2272838593 AHLQPOYIMIZTPV-XSSZXYGBSA-N 462.954 5.741 50 10 JKGE Cc1cc(Br)c([C@H](Br)[C@@]23CCC[C@H]2CC3)c(C)c1Br 2273374250 ZVZRWOUYYPAMMU-KNXALSJPSA-N 451.040 6.845 50 10 JKGE Clc1cc(Br)cc([C@@H](Cl)Cc2cc(Br)cc(Br)c2)c1 2277963471 VBNWEVYHXPHVJT-AWEZNQCLSA-N 487.844 7.150 50 10 JKGE CO[C@@H]1CCC[C@H]([C@H](Br)c2c(F)cc(Br)c(F)c2Br)C1 2288355310 FFLCQAXCYAGJPD-SXMVTHIZSA-N 476.981 6.131 50 10 JKGE Fc1ccc([C@H](Br)c2c(F)cc(Br)c(F)c2Br)cc1F 2288376007 JMDYTJKCWVCRGL-NSHDSACASA-N 476.887 6.252 50 10 JKGE Cc1cc(C(F)(F)F)sc1[C@H](Br)c1cc(Br)ccc1Br 2295057140 OFGOTYIQMWQFNK-LLVKDONJSA-N 492.980 7.085 50 10 JKGE Fc1cc(Cl)cc([C@H](Br)c2cc3sc(Br)cc3s2)c1F 2295508095 AOEZEKKZIYMAMA-LBPRGKRZSA-N 458.574 7.141 50 10 JKGE CCCOc1ccc(Br)cc1C=C(C#N)C(=O)Nc1sccc1C(=O)OC(C)C 2295669976 SQRSDZLTYZQMFY-UHFFFAOYSA-N 477.380 5.410 50 10 JKGE CCOC(=O)c1c(NC(=O)C(C#N)=Cc2ccc(OC(=O)c3ccccc3)cc2)sc(C)c1C 2296818198 YMBYDHQMXBEZHO-UHFFFAOYSA-N 474.538 5.307 50 10 JKGE N#CC(=C(Nc1ccccc1)SCc1c(F)cccc1Cl)S(=O)(=O)c1ccccc1 2297349997 KQLKLOIPWDJTCO-UHFFFAOYSA-N 458.967 5.991 50 10 JKGE Cc1ccc(CSC(Nc2ccc(C(C)C)cc2)=C(C#N)S(=O)(=O)c2ccccc2)cc1 2297350111 WLJDWHIEONFFBL-UHFFFAOYSA-N 462.640 6.630 50 10 JKGE Cc1ccc(C)c(CSC(Nc2ccc(Cl)cc2)=C(C#N)S(=O)(=O)c2ccccc2)c1 2297350138 YVIDTHIMMKBYIX-UHFFFAOYSA-N 469.031 6.469 50 10 JKGE Cn1nc([C@H](Br)c2ccc(OCc3ccccc3)cc2Br)cc1Cl 2299510348 QOBYJMJHDUGRDY-GOSISDBHSA-N 470.592 5.899 50 10 JKGE C[C@@H](CC(C)(C)C)[C@@H](Br)c1cc(Br)ccc1OCc1ccccc1 2299526686 AFEQUKAZOHASKV-MGPUTAFESA-N 454.246 7.536 50 10 JKGE Cc1cc([C@@H](Br)c2cc(Br)ccc2OCc2ccccc2)sc1C 2299535582 QPHOWAJULFQIMC-FQEVSTJZSA-N 466.238 7.191 50 10 JKGE CC[C@]1(C)[C@@H](Br)C[C@H]1Oc1cc(Br)cc(I)c1 2301129087 BXNAVEJGRKWYMR-YNEHKIRRSA-N 473.974 5.385 50 10 JKGE N#CC(=Cc1ccc(OCc2cccc(F)c2)c(Br)c1)C(=O)NCc1ccccc1 2313565287 GOWJGOFAKYAPEV-UHFFFAOYSA-N 465.322 5.391 50 10 JKGE N#CC(=Cc1c(Oc2ccccc2Cl)nc2ccccn2c1=O)C(=O)Nc1cccc(Cl)c1 2314532069 GDOUHHPGXAWKES-UHFFFAOYSA-N 477.307 5.339 50 10 JKGE CCc1ccc(C[C@@H]2SC(=C(C#N)C(=O)Nc3ccccc3C)N(c3ccc(C)c(C)c3)C2=O)cc1 2314592503 VUCKOVOJBQXADW-MHZLTWQESA-N 495.648 6.239 50 10 JKGE CCCCCCCOc1ccc(C=C2C(=O)N(Cc3ccco3)C(=O)C(C#N)=C2C)cc1OCC 2314618397 MUTFSSHSTVSZNR-UHFFFAOYSA-N 476.573 5.820 50 10 JKGE COc1cc(C=C2C(=O)N([C@H](C)c3ccccc3)C(=O)C(C#N)=C2C)ccc1OCc1ccccc1F 2314618711 SFFGMRPFSPWWLN-HXUWFJFHSA-N 496.538 5.767 50 10 JKGE C=CCOc1ccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)C=Cc4ccc(Cl)cc4)ccc32)cc1 2314634507 BVQAQRIPJMUEFN-HHHXNRCGSA-N 484.939 5.742 50 10 JKGE Fc1c(Br)cc(Cl)c([C@H](Cl)c2sccc2Br)c1Br 2315439417 DZAYMXUGICISFP-VIFPVBQESA-N 497.836 7.156 50 10 JKGE COc1cc(C=C(C#N)c2cccc(Cl)c2)ccc1OC(=O)COc1ccccc1Cl 2320506444 JSOLJJWBQMPHEK-UHFFFAOYSA-N 454.309 6.051 50 10 JKGE C[C@H]1C[C@@](CBr)(Cc2ccc(I)c(Br)c2)CCO1 2325220959 KNIMALJMAAGHES-IINYFYTJSA-N 488.001 5.176 50 10 JKGE COC(=O)c1ccc(C(C#N)=Cc2cccc(OC)c2OCc2ccc(Br)cc2)o1 2331048511 ROLARQDPVXSRSQ-UHFFFAOYSA-N 468.303 5.480 50 10 JKGE CCCOc1ccc(-c2csc(C(C#N)=C(O)Cc3ccc(Cl)cc3)n2)cc1OCCC 2331292965 BTIPGKBQBDTMFH-UHFFFAOYSA-N 469.006 7.076 50 10 JKGE COc1cc(C=CC(O)=C(C#N)c2nc(-c3ccc4c(c3)OCCO4)cs2)ccc1OC(C)=O 2331330758 FJTGTKLCTKBOQX-UHFFFAOYSA-N 476.510 5.021 50 10 JKGE COc1ccc(C(C)(C)C)cc1-c1csc(C(C#N)=C(O)COc2cc(C)c(Cl)c(C)c2)n1 2331350689 MEPYMSPIUOARPT-UHFFFAOYSA-N 483.033 7.258 50 10 JKGE COc1cc(C)c(-c2csc(C(C#N)=C(O)c3ccc(NS(C)(=O)=O)cc3)n2)cc1C(C)C 2331353857 DUAKAWPUYDWWAN-UHFFFAOYSA-N 483.615 5.572 50 10 JKGE COc1cc(C)c(-c2csc(C(C#N)=C(O)C=Cc3ccc(Cl)cc3Cl)n2)cc1C(C)C 2331353867 FREFYPSSUMVTOH-UHFFFAOYSA-N 485.436 8.063 50 10 JKGE CCc1ccc(OCCCC(O)=C(C#N)c2nc(-c3ccc(OC)c(Cl)c3)cs2)cc1 2331398339 JFIWPCUWSKPSLK-UHFFFAOYSA-N 454.979 6.686 50 10 JKGE CC(C)[C@H](C(O)=C(C#N)c1nc(-c2ccc(Cl)s2)cs1)N1C(=O)c2ccccc2C1=O 2331400785 UYXFVOFMOVIGHY-GOSISDBHSA-N 469.975 5.638 50 10 JKGE CCOc1cc(C=C(C#N)c2nc(-c3ccccc3Cl)cs2)cc(Br)c1O 2331430396 PRLHGMCHLPINTE-UHFFFAOYSA-N 461.768 6.394 50 10 JKGE N#CC(=Cc1ccc(OCc2ccc(Cl)cc2)cc1)c1nc(-c2ccc(Cl)cc2)cs1 2331439892 ANQDZQPQIQZQLZ-UHFFFAOYSA-N 463.389 7.760 50 10 JKGE Cc1cc([C@H](Br)c2c(F)cc(Cl)c(Br)c2Cl)sc1Cl 2335291021 RORPAODRTMKXPZ-JTQLQIEISA-N 467.412 7.403 50 10 JKGE C[C@H](Br)CN(C(=O)c1csc(Br)c1Br)C1CCCC1 2342918831 XNFFJCIMMIBHPU-QMMMGPOBSA-N 474.056 5.441 50 10 JKGE CC(C)(CCl)[C@H]1CCCN1Cc1ccc(I)c(Br)c1 2349860464 ZZYNUKUZHIUGDH-CQSZACIVSA-N 456.593 5.283 50 10 JKGE Clc1ccc(I)cc1C[C@@H]1C[C@H](Br)CC2(CCC2)C1 2352427324 GOKFUEFRENVHSI-YPMHNXCESA-N 453.589 6.221 50 10 JKGE Clc1cc(I)c([C@@H](Br)CC23CC4CC(CC(C4)C2)C3)s1 2363892668 WKINLLPJXOQINO-UHUJKFBGSA-N 485.656 7.049 50 10 JKGE Cc1cc(Br)c(F)c(Br)c1[C@@H](Br)[C@@H]1CCCC2(CC2)C1 2365179123 NFLQTHDLLYUENV-MFKMUULPSA-N 469.030 7.066 50 10 JKGE C[C@H](Br)CN(C(=O)c1ccc(Cl)c(I)c1)C1CCCC1 2368839166 AMBRYOVSFHHEAS-JTQLQIEISA-N 470.576 5.113 50 10 JKGE COc1c(F)cc([C@H](Br)c2cc(Br)cc(Br)c2)cc1F 2370456009 HRRVIILPUPZZIJ-CYBMUJFWSA-N 470.933 5.983 50 10 JKGE CCc1cc(Br)c(OC)c([C@@H](Br)c2csc(C)c2Br)c1 2381247885 YCYWZDZPPRTLRX-CQSZACIVSA-N 483.063 6.637 50 10 JKGE COc1ccc([C@H]2C(C#N)=C(C)N(c3[nH]nc(C)c3-c3ccccc3)C3=C2C(=O)CCC3)cc1 2231196 YFRYHOKVNFAVCZ-SANMLTNESA-N 450.542 5.802 50 10 JKGE Cc1ccc(CN(C(=O)CCCl)[C@@H](C(=O)NC2CCCCC2)c2ccc(Cl)cc2)cc1 3035418 STOOFPXGFALVHB-XMMPIXPASA-N 461.433 5.796 50 10 JKGE CCc1ccc([C@@H]2C(C#N)=C(N)N(c3ccc(Cl)c(Cl)c3)C3=C2C(=O)CC(C)(C)C3)s1 6284038 IXGXBHRVDZWRJX-NRFANRHFSA-N 472.441 6.558 50 10 JKGE O=C(c1ccc([N+](=O)[O-])s1)N(/N=C/c1ccco1)c1nc2ccc(Br)cc2s1 9148594 RJYZAQZTWOQNCM-DJKKODMXSA-N 477.321 5.302 50 10 JKGE C/C(CC(C)C)=N\NC(=O)COc1ccc2cc(Br)ccc2c1Br 12491447 BDLIXTBEWQXFOC-CIAFOILYSA-N 456.178 5.282 50 10 JKGE Cc1cccc(C(=O)Nc2ccc(C(=O)NNC(=O)N3c4ccccc4Sc4ccccc43)cc2)c1 13988862 GULQAZCJUYOUIB-UHFFFAOYSA-N 494.576 5.905 50 10 JKGE N#C/C(=C/c1ccc(N2N=C(c3ccccc3)C[C@H]2c2ccccc2)cc1)C(=O)Nc1ccc(F)cc1 29492366 UFZGDMYOMADBJD-YOAKOGDNSA-N 486.550 6.727 50 10 JKGE O=C(N/N=C\c1ccc(Oc2ccc(C(F)(F)F)cc2[N+](=O)[O-])cc1)c1cc2ccccc2cc1O 34857525 BKSYTXBJJLETPE-NUJZUDFISA-N 495.413 6.029 50 10 JKGE N#CC1=C(N)Oc2cc(OC(=O)c3cccc4ccccc34)ccc2[C@H]1c1c(Cl)cccc1Cl 38679857 VYUIZSDSIXFWPE-XMMPIXPASA-N 487.342 6.584 50 10 JKGE N#CC1=C(N)Oc2cc(OC(=O)c3ccco3)ccc2[C@@H]1c1ccc(OCc2ccccc2Cl)cc1 38686334 OAUDSPNKLLEODR-SANMLTNESA-N 498.922 5.949 50 10 JKGE N#CC1=C(N)Oc2cc(OC(=O)c3sc4cc(Cl)ccc4c3Cl)ccc2[C@H]1c1ccco1 38688475 OAGIMQTWQSPYSS-LJQANCHMSA-N 483.332 6.238 50 10 JKGE Cc1ccc(NC(=O)c2oc3c(c2C)/C(=N/NC(=O)c2ccc4ccccc4n2)CCC3)cc1Cl 40825799 UFSMNVJSAOFDBB-NJZRLIGZSA-N 486.959 5.821 50 10 JKGE COc1cc(/C=N/NC(=O)COc2ccc(C(C)(C)C)cc2)ccc1OCc1ccc(C)cc1 40911169 HBBCWKQZCOOLPL-STBIYBPSSA-N 460.574 5.409 50 10 JKGE CCOc1cc(/C=C(/C#N)C(=O)Nc2ccc(C)cc2)cc(Cl)c1OCc1cccc2ccccc12 59335583 QSUXAUROIFXGHS-IWIPYMOSSA-N 496.994 7.325 50 10 JKGE Cc1ccc(NC(=O)/C(C#N)=C\c2c(Oc3ccc(C(C)(C)C)cc3)nc3ccccn3c2=O)cc1 102684234 LHRXWQXVMZGXCN-JZJYNLBNSA-N 478.552 5.638 50 10 JKGE CCOC(=O)c1c(N/C=C(\C#N)c2nc(-c3ccc(OC)c(OC)c3)cs2)sc2c1CCCC2 102938809 SEGGHSTUKIUPMY-DTQAZKPQSA-N 495.626 5.921 50 10 JKGE COc1ccc([C@@H](Br)c2cc(Br)c(C)cc2Br)cc1F 128826443 CZEXFXURVKAJAT-OAHLLOKOSA-N 466.970 6.152 50 10 JKGE Cc1cc([C@H](Br)c2cc3c(cc2Br)OCCO3)ccc1Br 137901342 GAUBKOYXXZWXRZ-INIZCTEOSA-N 476.990 5.776 50 10 JKGE BrCC(CBr)(CCOc1ccc(Br)cc1)C1CCCC1 160149297 ODEHKCBPOKGZKN-UHFFFAOYSA-N 469.055 6.184 50 10 JKGE CCOc1ccc(CCN/C=C(/C#N)C(=O)N[C@H](CC)c2ccc3c(c2)CCCC3)cc1OCC 217191941 JVPNQNVILPTTSW-OBWJIVDRSA-N 475.633 5.170 50 10 JKGE COc1ccc([C@H](Br)c2ccc(I)c(Cl)c2)c(C)c1 232342833 HJSNEXYLHKFFJA-OAHLLOKOSA-N 451.529 5.746 50 10 JKGE Cc1ccc(-c2nnc(NN=CC3=CN(Cc4ccccc4)C=C(C#N)C3)c3ccccc23)cc1C 254378651 WTPDQFIGJVXQAF-UHFFFAOYSA-N 470.580 6.509 50 10 JKGE O=C(CSc1nnc(SCc2cccc3ccccc23)s1)NN=Cc1ccc([N+](=O)[O-])cc1 254658241 MTDLFQJXYPBZFJ-UHFFFAOYSA-N 495.611 5.134 50 10 JKGE Brc1cc([C@@H](Br)c2cc(Br)sc2Br)co1 307110236 KTKGAAUMDBJOSF-MRVPVSSYSA-N 479.813 6.113 50 10 JKGE CCc1cc(C)sc1[C@@H](Br)c1cc(Br)ccc1Br 311194863 FGDLBQOHKZXQBW-ZDUSSCGKSA-N 453.037 6.628 50 10 JKGE COc1ccc(Br)cc1[C@@H](Br)c1cc(F)c(Br)cc1F 312264493 PCJQZJWNFPWZGC-AWEZNQCLSA-N 470.933 5.983 50 10 JKGE CCCCCCCC[C@@H](Br)c1cc(I)cc2c1OCC2 312334548 JRQXJOAULXPFLY-MRXNPFEDSA-N 451.186 6.413 50 10 JKGE C[C@H](Cl)c1nc2cc(Br)c(F)cc2n1[C@H]1CCCN(Cc2ccccc2)C1 379555124 GMJYXZOIDIJYRR-HOCLYGCPSA-N 450.783 6.075 50 10 JKGE O=C(OCc1ccccc1)N1C[C@H](CBr)[C@H](c2cccc(Br)c2)C1 382682930 FJIDJLLSVOCUQF-WMZOPIPTSA-N 453.174 5.196 50 10 JKGE CCCc1nn(C)c2c1nc([C@@H](C)Cl)n2CCCN(Cc1ccccc1)Cc1ccccc1 390470236 HALWIDHCBKGITP-OAQYLSRUSA-N 464.057 6.115 50 10 JKGE C[C@@H]1CN(Cc2ccccc2)CC[C@@H]1n1c(CCl)nc2cc(F)c(Br)cc21 397947755 JNSHFXJNYOHETJ-KUHUBIRLSA-N 450.783 5.760 50 10 JKGE Cc1cccc([C@@H](Br)c2c(Br)cc(F)c(F)c2F)c1Br 398732838 NBFZSHBJOKAYRY-GFCCVEGCSA-N 472.924 6.422 50 10 JKGE CC(C)(C)[Si](C)(C)OCCc1cccc([C@H]2COCCN2S(=O)(=O)c2ccccc2)c1 616600682 HPTSFPVTPMTDSZ-HSZRJFAPSA-N 461.700 5.013 50 10 JKGE COCc1cc(Br)c([C@H](Br)c2cc(C)c(Br)s2)s1 688081279 ALTLTYAPQVIATO-SNVBAGLBSA-N 475.065 6.274 50 10 JKGE Cc1cc(Br)c([C@H](Br)[C@]2(C)CC[C@@H](C)C2(C)C)cc1Br 698997043 OGSFUFCOLHSLRO-PJQXDXOGSA-N 467.083 7.418 50 10 JKGE O=C(c1cc(Br)c(Br)s1)N(CCBr)c1ccccc1 714553386 PPKKOYFJELMTMH-UHFFFAOYSA-N 468.008 5.315 50 10 JKGE BrCC(CBr)(C[C@H]1CCCS1)c1ccc(Br)cc1 715885612 YZGMKQQGPKJCKX-CYBMUJFWSA-N 457.069 5.762 50 10 JKGE Cc1cc(Br)c([C@@H](Br)c2cscc2C(F)F)cc1Br 717178567 BDANVFKCWQNVKW-GFCCVEGCSA-N 474.990 7.003 50 10 JKGE C[C@H](O[C@]1(CI)CCCN(C(=O)OC(C)(C)C)C1)C1CCCCC1 719736923 OCSKRIAPUGCOGE-KXBFYZLASA-N 451.389 5.177 50 10 JKGE C[C@H]1Cc2cc(Br)cc([C@H](Br)c3coc(Br)c3)c2O1 720055017 WJXJAABFYJDYFB-WPPNPWJKSA-N 450.952 5.612 50 10 JKGE Cc1cc(Br)ccc1[C@H](Br)c1sc(C)c(Br)c1C 724929262 VYMHXCBEZGDUAZ-ZDUSSCGKSA-N 453.037 6.683 50 10 JKGE Cc1c(NC(=O)/C(C#N)=C\c2cc(C)n(-c3ccc4ccccc4c3)c2C)ccc2ccccc12 1081085421 HCCAERLGQPYDJI-PKAZHMFMSA-N 455.561 7.255 50 10 JKGE Cc1ccccc1NC(=O)/C(C#N)=C\c1cc(Br)ccc1OCc1cccc(Cl)c1 1083977799 KEDMJRPAMBTKAG-UNOMPAQXSA-N 481.777 6.536 50 10 JKGE C=CCc1cc(C=NNC(=O)CC[C@@H](O)c2ccccc2)ccc1OCc1ccc(Cl)c(Cl)c1 1084428767 BFLJEPZSRDTLCN-RUZDIDTESA-N 497.422 6.265 50 10 JKGE O=C(NN=C(CSc1nc2ccccc2o1)c1ccc2ccccc2c1)c1ccccc1O 1084491687 OUKFTZZFDHNPTE-UHFFFAOYSA-N 453.523 5.613 50 10 JKGE Cc1cc(C)c2c(CC(=O)NN=C3CCCc4oc(C(=O)N5CCCCCC5)c(C)c43)coc2c1 1772752182 XCGFMEMJGVXJLK-UHFFFAOYSA-N 475.589 5.367 50 10 JKGE COc1cc(C=NNC(=O)COc2ccc3ccccc3c2)ccc1OCc1ccc(C)cc1 1772753238 GZDZHTUNHYFVJF-UHFFFAOYSA-N 454.526 5.265 50 10 JKGE CCCCOc1ccc([C@H]2C(C#N)=C(N)Oc3c2c(CCC)nn3-c2cccc(Cl)c2)cc1OC 1865696915 LJUUFUZVAMJZRO-DEOSSOPVSA-N 493.007 5.884 50 10 JKGE CCCn1nc(C)c2c1OC(N)=C(C#N)[C@@H]2c1ccc(OCc2ccc(Cl)cc2)c(OC)c1 1865700669 AQQBMWSSQGPWOX-QHCPKHFHSA-N 464.953 5.061 50 10 JKGE CCCc1nn(-c2cccc3ccccc23)c2c1[C@H](c1ccc(N(CC)CC)cc1)C(C#N)=C(N)O2 1865702302 SBKNWRNPAMTPTE-HHHXNRCGSA-N 477.612 6.042 50 10 JKGE Cc1ccc(C)c(Cn2nc(-c3ccccc3)c3c2OC(N)=C(C#N)[C@@H]3c2ccccc2OC(C)C)c1 1865705423 VODSXPJFSHSOFQ-MHZLTWQESA-N 490.607 6.221 50 10 JKGE CCc1ccc([C@H]2C(C#N)=C(N)Oc3c2c(-c2ccc(OC)cc2)nn3Cc2cc(C)ccc2C)cc1 1865709493 WHUWIAPUCZQMHW-MHZLTWQESA-N 490.607 6.004 50 10 JKGE Cc1nc(-c2ccc(Cl)c(Cl)c2)ccc1C(=O)NNC(=O)c1ccccc1C(F)(F)F 1865759131 JZUNPQVZKUWNBA-UHFFFAOYSA-N 468.262 5.457 50 10 JKGE Cc1ccc(NC(=O)/C(C#N)=C/c2cccc(Br)c2)c(-c2cc(F)ccc2O)c1 1866131639 GJGIXDZCLJALGT-MHWRWJLKSA-N 451.295 5.815 50 10 JKGE CSCC[C@H](NC(=O)C[C@H](C)c1cccc(Cl)c1)C(=O)Nc1ccc(SC#N)cc1 1867185279 SNTZXCMISKMXIJ-YWZLYKJASA-N 462.040 5.283 50 10 JKGE COc1c(Cl)cc(Cl)cc1-c1csc(/C(C#N)=C(\O)c2cccc(NC(C)=O)c2)n1 1872754525 XDHJCSGQUVKMMN-MNDPQUGUSA-N 460.342 6.034 50 10 JKGE CCCCc1ccc(N2C[C@@H](/C(O)=C(\C#N)c3nc(-c4ccc(C)c(C)c4)cs3)CC2=O)cc1 1872756655 UNBDCPXEHNJTGM-ULLSICJUSA-N 471.626 6.615 50 10 JKGE COc1ccc(-c2csc(/C(C#N)=C(\O)[C@@H]3CC(=O)N([C@@H](C)c4ccccc4)C3)n2)cc1Cl 1872757458 HJHJOQARDAHSFF-GPTVKUKTSA-N 479.989 5.874 50 10 JKGE CCOc1ccc(-c2csc(/C(C#N)=C/c3ccc(OCc4ccccc4)cc3)n2)c(OCC)c1 1872793564 HDKQDCVDAMXVTP-XQNSMLJCSA-N 482.605 7.251 50 10 JKGE Cc1nn(C)c([C@@H](Br)c2ccc(F)c(Br)c2F)c1Br 1877180569 GLAXXSVLAJQLDN-VIFPVBQESA-N 458.926 5.016 50 10 JKGE C[C@@H](CCBr)N(Cc1ccccc1)S(=O)(=O)c1cc(Cl)sc1Cl 1915089506 ZSVCMYHSZAUWNM-NSHDSACASA-N 457.242 5.419 50 10 JKGE Cc1cc([C@H](Br)c2cc(Br)cc3c2OCC3)oc1Br 1917594635 HUOHPPXZPMDZRO-GFCCVEGCSA-N 450.952 5.532 50 10 JKGE Brc1cc(Br)c([C@H](Br)c2cccc3c2CCCC3)s1 1922884750 NHZIJUNAGNOBID-CQSZACIVSA-N 465.048 6.636 50 10 JKGE Cc1cccc(C[C@@H](Br)c2sc(Br)c(C)c2Br)c1 1922945155 CVZXAAQIRDAHBA-LLVKDONJSA-N 453.037 6.569 50 10 JKGE FC(F)Oc1ccccc1[C@H](Cl)c1c(Br)sc(Br)c1Cl 1923047759 CURQZAFOHDCLNE-QMMMGPOBSA-N 466.956 6.856 50 10 JKGE O=C(NC[C@H]1CCC2(CCC2)[C@H]1Br)c1csc(Br)c1Br 1924800725 XBHGPVVWLMROOG-KCJUWKMLSA-N 486.067 5.347 50 10 JKGE C[C@]1(CI)CC[C@H](c2c(Br)cccc2Br)O1 1938361178 HGBYSBAZSHIYRQ-ZYHUDNBSSA-N 459.947 5.257 50 10 JKGE COCCOCCN(Cc1ccccc1)c1ccc(CBr)cc1Br 1946828530 ZMPSDELNMKZAFP-UHFFFAOYSA-N 457.206 5.014 50 10 JKGE Cn1cc([C@@H](Br)c2cc(Br)sc2Br)c(Br)n1 1981647252 VVJYSQCEMUTEFC-ZETCQYMHSA-N 493.844 5.253 50 10 JKGE C[C@]1(C(F)F)C[C@@H]1[C@@H](Cl)c1c(Br)sc(Br)c1Br 2008185063 AMLVMLNMEFQQMR-NDOLSLFOSA-N 473.402 6.607 50 10 JKGE CCN(c1c(CBr)ccc(Br)c1Cl)[C@@H]1CCN(Cc2ccccc2)C1 2036849850 SIHUUZKDFFUVRF-QGZVFWFLSA-N 486.679 6.098 50 10 JKGE BrCc1ccc(N2CC[C@]3(CCN(Cc4ccccc4)C3)C2)c(Br)c1 2044885426 RNJKOIIWLUPFRB-NRFANRHFSA-N 464.245 5.446 50 10 JKGE Fc1c(Cl)cccc1C[C@H](Br)c1csc(Br)c1Br 2050553307 OGSOFXXDSRJVFR-QMMMGPOBSA-N 477.418 6.744 50 10 JKGE Cl[C@@H](c1c(Br)sc(Br)c1Br)[C@@H]1CCCC12CCC2 2053379334 YRJQTHKWLDFCPV-OIBJUYFYSA-N 477.487 7.286 50 10 JKGE Clc1c(Br)sc(Br)c1[C@@H](Br)[C@H]1C[C@@H]2CC[C@H](C1)O2 2061009331 VTFLXSMSPZADIL-LKHWLPBLSA-N 479.459 6.320 50 10 JKGE Cl[C@@H](c1c(Br)sc(Br)c1Br)C12CCC(CC1)OC2 2072708200 NBZKCGUDNKQNQI-HTARLIKDSA-N 479.459 6.275 50 10 JKGE Clc1ccc(Br)cc1[C@@H](Cl)c1ccc(Br)cc1Br 2083331442 ZGKOWLJDBRFQLX-ZDUSSCGKSA-N 473.817 6.956 50 10 JKGE CN(C(=O)c1csc(Br)c1Br)C1(CCBr)CCC1 2085060696 LAVQHZZBBNTUPM-UHFFFAOYSA-N 460.029 5.053 50 10 JKGE Clc1ccccc1C[C@H](Cl)c1ccc(Br)cc1I 2086145831 RVHIQACOSFSDCD-ZDUSSCGKSA-N 455.948 6.230 50 10 JKGE C[C@H]1Cc2cc([C@@H](Br)c3csc(Br)c3)cc(Br)c2O1 2090467226 LUQDZEJLYDKTMF-WPPNPWJKSA-N 467.020 6.081 50 10 JKGE C[C@@H]1Cc2cc([C@H](Br)c3ccc(Br)o3)cc(Br)c2O1 2090467481 OAXJGZWGEXELNA-UHLUBPPHSA-N 450.952 5.612 50 10 JKGE Cl[C@@H](c1cc(Br)c2c(c1)CCO2)c1cc(Br)c(Br)s1 2090468091 SZLANIYMMHHERR-NSHDSACASA-N 487.438 6.299 50 10 JKGE CCn1ncc(Br)c1[C@@H](Br)c1sc(COC)cc1Br 2094275339 UFEXYPCMBSOACL-SNVBAGLBSA-N 473.028 5.120 50 10 JKGE Cc1c(Br)cccc1[C@@H](Br)c1cc(C2CC2)c(Br)s1 2094674084 RAFQPSBNODUDBD-CQSZACIVSA-N 465.048 6.943 50 10 JKGE Cc1sc(Br)cc1[C@@H](Cl)c1scc(C(F)(F)F)c1Br 2095700583 YKWSUQATKRHUOW-SECBINFHSA-N 454.558 6.990 50 10 JKGE Cc1nn(C)c(Br)c1[C@H](Br)c1ccc(F)c(Br)c1F 2129268068 QHWUFLZQYUADKQ-SECBINFHSA-N 458.926 5.016 50 10 JKGE Cc1c(Br)sc([C@@H](Br)[C@]2(C)CCCC(F)(F)C2)c1Br 2132121744 BQZHBDAJYAKNAU-ZYHUDNBSSA-N 481.038 7.233 50 10 JKGE CCCC1(COc2c(Br)cc(CBr)cc2Br)CCC1 2133163379 QSEKDELXYLOBIV-UHFFFAOYSA-N 455.028 6.456 50 10 JKGE COC[C@@H]1CC[C@@H]([C@@H](Br)c2ccc(Br)c(C)c2Br)C1 2138852767 OPNDCVMKXYIKLD-UEKVPHQBSA-N 455.028 6.019 50 10 JKGE CO[C@@H]1CC([C@@H](Br)c2ccc(Br)cc2Br)C[C@H]1OC 2138870320 IJFGOLUWUGMTTI-MGPQQGTHSA-N 457.000 5.088 50 10 JKGE C[C@H](Cl)c1nc2ccc(F)c(Br)c2n1C1CC(COCc2ccccc2)C1 2149050357 GHDISXQAFLLYGB-JEYLPNPQSA-N 451.767 6.406 50 10 JKGE CC(C)(C)C[C@H](CBr)CNC(=O)c1c(Br)cccc1Br 2156323053 GMIYMZGBUWWNNO-SNVBAGLBSA-N 470.043 5.389 50 10 JKGE CC(C)(C)[C@]1(CBr)CCN(C(=O)c2scc(Br)c2Br)C1 2160949308 GFMYTRZZZQNZJW-AWEZNQCLSA-N 488.083 5.546 50 10 JKGE Brc1ccc(Br)c([C@@H](Br)[C@@H]2CC3(CCCCC3)CO2)c1 2166285980 MHKXDMHPKXNBJP-LSDHHAIUSA-N 467.039 6.387 50 10 JKGE Fc1c(COc2c(Br)cccc2CBr)ccc(Cl)c1Br 2166830852 INLNGOREPDGTNQ-UHFFFAOYSA-N 487.388 6.478 50 10 JKGE FC(F)(F)[C@@]1(CBr)CCN(Cc2ccc(Br)cc2Br)C1 2167675624 NNABSVWZQGIYPI-GFCCVEGCSA-N 479.960 5.361 50 10 JKGE CN(c1cc(Br)cc(F)c1CCl)[C@H]1C[C@@H]2CC[C@H](C1)N2Cc1ccccc1 2170696680 IEYJOZQZBSKAQQ-REPLKXPHSA-N 451.811 5.959 50 10 JKGE COc1cc([C@H](Br)c2cc(Cl)c(Br)cc2F)ccc1Br 2192152468 QXZXQPOXCLWMPJ-AWEZNQCLSA-N 487.388 6.497 50 10 JKGE Cc1cc(Br)c(C)c([C@H](Br)C(C)(C)[C@H]2CCCO2)c1Br 2201065884 VAVXOTLGXZHSLW-DOMZBBRYSA-N 469.055 6.470 50 10 JKGE Cc1cc(Br)c(C)c([C@H](Br)C(F)(F)[C@H]2CCOC2)c1Br 2201074311 QZZDJPFPOZUMKK-ZANVPECISA-N 476.981 5.936 50 10 JKGE Br[C@H](Cc1ccccc1I)c1ccc(-c2cccs2)s1 2205865191 JROOQSCAMHPASB-GFCCVEGCSA-N 475.214 6.760 50 10 JKGE ClCc1ccc(Br)c(Cl)c1Oc1ccc(Cl)c(Cl)c1Br 2206354865 ROYUHPXRTWZQPD-UHFFFAOYSA-N 479.810 7.703 50 10 JKGE Clc1cc(Br)ccc1C[C@H](Cl)c1cc(I)sn1 2215864046 URYHBNTVPBQJOO-VIFPVBQESA-N 462.965 5.686 50 10 JKGE Cc1cccc([C@H](Cl)c2sc(Br)c(C)c2C)c1I 2218789709 VYKDVAAHRFONPJ-NSHDSACASA-N 455.586 6.369 50 10 JKGE Br[C@@H](c1ccc([C@@H]2CCOC2)s1)c1sccc1I 2223725797 RPPWTHKSLXQROG-PELKAZGASA-N 455.180 5.402 50 10 JKGE C[C@@H]1CC[C@@H](C[C@H](Br)c2c(Br)cc(Cl)c(Cl)c2Cl)O1 2224301987 GVKICFJQYWTTLM-CSMHCCOUSA-N 451.413 6.803 50 10 JKGE C[C@@H]1CCC[C@@H]([C@@H](Br)c2cc(Br)c(Br)cc2F)CC1 2225615730 KUEMSCQRJDBHPF-IQMDTDKHSA-N 457.019 7.003 50 10 JKGE COc1cc(F)c([C@H](Br)c2cc(Br)c(C)s2)cc1Br 2226087515 DPYFQXAINDDXAK-ZDUSSCGKSA-N 472.999 6.214 50 10 JKGE Cc1cc(Br)c([C@@H](Br)c2nn(C)cc2Cl)c(C)c1Br 2227371419 SUCWEYYOVFWFDB-GFCCVEGCSA-N 471.418 5.700 50 10 JKGE CCOCc1cc(Br)c([C@@H](Br)c2ccc(Br)c(C)c2)s1 2233017916 CVAFNOPAWNRUMB-AWEZNQCLSA-N 483.063 6.602 50 10 JKGE Cc1cc(Br)c([C@@H](Br)[C@@H]2COCCC2(F)F)c(C)c1Br 2235596901 ABAVBXGAUQDLRS-ZANVPECISA-N 476.981 5.936 50 10 JKGE Cc1cc(Br)c([C@H](Br)c2c(C)cccc2C)c(C)c1Br 2235602044 XZSSEHFPNXOPAS-QGZVFWFLSA-N 461.035 6.930 50 10 JKGE Cc1cc(Br)c([C@@H](Br)CC(C)(C)C(F)(F)F)c(C)c1Br 2235614803 LPIGIKUYSKKYTB-JTQLQIEISA-N 480.988 7.243 50 10 JKGE O=C(c1cccc(Cl)c1Br)N(Cc1ccccc1)[C@@H](CBr)C1CC1 2248085181 WAWLRDOLCFPVDG-KRWDZBQOSA-N 471.620 5.918 50 10 JKGE Cc1cc(C(F)(F)F)sc1[C@@H](Br)c1sc(Cl)cc1Br 2277706668 RTGVYRXSPFXPMC-MRVPVSSYSA-N 454.558 7.037 50 10 JKGE COCC1([C@@H](Br)Cc2cc(Br)cc(Br)c2)CCCC1 2277962214 DRFGKYGKZAQJEC-AWEZNQCLSA-N 455.028 5.724 50 10 JKGE CN(Cc1ccccc1I)CC1(CBr)CCCCCC1 2280346740 HITIKHZEWXQGIH-UHFFFAOYSA-N 450.202 5.459 50 10 JKGE CC[C@H](C)[C@@H](CI)NC(=O)c1cc(Br)cc(C(C)C)c1 2280713671 RSWXCWFESAHHDC-XHDPSFHLSA-N 452.174 5.152 50 10 JKGE Cc1c(CBr)cccc1NC(=O)c1cc(Br)ccc1Br 2283564885 WMIXTNVRHDGITP-UHFFFAOYSA-N 461.979 5.667 50 10 JKGE C[C@H](Br)CN(CCC(C)(C)C)Cc1c(Br)cccc1Br 2288152588 XUQPESDROZEBLG-LBPRGKRZSA-N 470.087 6.233 50 10 JKGE Fc1cc(Br)c(F)c(Br)c1[C@H](Br)C[C@@H]1CCC[C@H]2C[C@@H]21 2288360673 YTPLQZUJEATPOX-AATLWQCWSA-N 472.993 6.752 50 10 JKGE Cc1ccc(NC(=O)C(C#N)=C2S[C@@H](Cc3ccccc3C)C(=O)N2c2ccc(F)cc2)cc1 2293038945 KNJXXSVEJYVPOG-DEOSSOPVSA-N 471.557 5.508 50 10 JKGE CCOc1cc(C=C(C#N)c2cccc([N+](=O)[O-])c2)cc(Cl)c1OCc1ccccc1C#N 2294280032 SHIJHYGLTAIQNF-UHFFFAOYSA-N 459.889 6.162 50 10 JKGE Cc1ccc(CCl)cc1NC(=O)c1ccc(Br)cc1I 2296120700 IXOBNQKVMOTLHF-UHFFFAOYSA-N 464.528 5.353 50 10 JKGE C=CCc1cc(C=C(C#N)c2nc3ccc(C)cc3[nH]2)cc(OC)c1OCc1cccc([N+](=O)[O-])c1 2297369658 KNEAROJCYDOXPF-UHFFFAOYSA-N 480.524 6.160 50 10 JKGE CCC1(C)CC([C@@H](Br)c2cc(Br)ccc2OCc2ccccc2)C1 2299529627 DVFWLCHOOVIXMX-ZWVUXNTGSA-N 452.230 7.290 50 10 JKGE Cc1c(CO[C@](C)(CI)CNC(=O)OC(C)(C)C)ccc(Cl)c1Cl 2301412553 OHDXXVGPJXRHEO-QGZVFWFLSA-N 488.193 5.537 50 10 JKGE C#CCOc1c(Br)cc(C=C(C#N)C(=O)Nc2cccc(Cl)c2Cl)cc1OCC 2313571077 MTSWXZNXZJIZKD-UHFFFAOYSA-N 494.172 5.712 50 10 JKGE Cc1ccc(COc2ccc(Br)cc2C=C(C#N)C(=O)Nc2ccc(C)c(C)c2)cc1 2313670827 YWAAKZSSUSUDTK-UHFFFAOYSA-N 475.386 6.499 50 10 JKGE CCOc1cc(C=C(C#N)C(=O)Nc2cccc3ccccc23)ccc1OCc1cccc(Cl)c1 2313676638 MTCXDZVRDTZWIS-UHFFFAOYSA-N 482.967 7.017 50 10 JKGE Cn1c(C(C#N)=Cc2c(Oc3ccc(Cl)cc3Cl)nc3ccccn3c2=O)nc2ccccc21 2314436858 QHSMKXCXGRYREC-UHFFFAOYSA-N 488.334 5.744 50 10 JKGE C[C@H](c1ccccc1)[C@H](Br)c1cc(Br)ccc1OCc1ccccc1 2314444810 MYMYNNWDBNJOCL-ZHRRBRCNSA-N 460.209 7.268 50 10 JKGE Cc1ccc(C[C@H]2SC(=C(C#N)C(=O)Nc3ccc(C)cc3)N(c3ccc(C(C)C)cc3)C2=O)cc1 2314591646 AJGLBIWBISRDCI-HHHXNRCGSA-N 495.648 6.492 50 10 JKGE Cc1ccc(NC(=O)C(C#N)=C2S[C@H](Cc3cccc(C)c3)C(=O)N2c2ccc(C(C)C)cc2)cc1 2314592136 MLFLEEULHOCYLY-HHHXNRCGSA-N 495.648 6.492 50 10 JKGE COc1ccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)C=Cc4ccc(Cl)cc4)ccc32)cc1OC 2314634622 PNGGCHIRAOXDRY-SANMLTNESA-N 488.927 5.194 50 10 JKGE COc1ccccc1C(C#N)=Cc1ccc(OC(=O)C=Cc2ccc(OCc3ccccc3)cc2)cc1 2318356266 IHRISZNIWWCUND-UHFFFAOYSA-N 487.555 6.957 50 10 JKGE CCOC(=O)c1c(NC(=O)C(C#N)=Cc2cccc(Br)c2)sc2c1CC[C@@H](C)C2 2329699349 IEMFHNGXQHETDU-CYBMUJFWSA-N 473.392 5.358 50 10 JKGE COc1cc2nc(C(C#N)=Cc3ccc(OCc4cccc(Cl)c4)cc3)nc(O)c2cc1OC 2331042571 OCKQZUYIZKYCSQ-UHFFFAOYSA-N 473.916 5.649 50 10 JKGE COc1ccc(C=C(C(O)=C(C#N)c2nc(-c3ccc4ccccc4c3)cs2)c2ccccc2)cc1 2331237915 SHTODTHXNBCSMC-UHFFFAOYSA-N 486.596 8.005 50 10 JKGE Cc1ccc(C)c(-c2csc(C(C#N)=C(O)c3ccc4c(c3)C(=O)N(C(C)(C)C)C4=O)n2)c1 2331319304 CQZOBHOFZPZQIQ-UHFFFAOYSA-N 457.555 5.771 50 10 JKGE COc1cc(Cl)c(C)cc1-c1csc(C(C#N)=C(O)c2cc([N+](=O)[O-])cc([N+](=O)[O-])c2C)n1 2331392120 RRQRLXLEAMRXMZ-UHFFFAOYSA-N 486.893 5.855 50 10 JKGE COc1c(Cl)cc(-c2csc(C(C#N)=C(O)CN3C(=O)c4ccccc4C3=O)n2)cc1Cl 2331396490 FRHXMDWPJOJNCE-UHFFFAOYSA-N 486.336 5.214 50 10 JKGE CCOc1cc(C=C(C#N)c2nc(-c3ccccc3)cs2)ccc1OCc1ccc(C)cc1 2331439951 IRXGBDJPXFFUIA-UHFFFAOYSA-N 452.579 7.160 50 10 JKGE CCCCOc1c(Br)cc(C=C(C#N)c2nc(-c3ccc(F)cc3)cs2)cc1OC 2331459057 HSAJAMZZXMNEGS-UHFFFAOYSA-N 487.394 6.963 50 10 JKGE COc1cc([C@H](Cl)c2cc(Br)ccc2OCc2ccccc2)ccc1Br 2336041570 OZDYNRXCKTWJQB-NRFANRHFSA-N 496.626 7.127 50 10 JKGE Brc1cc(OCc2ccccc2)ccc1[C@H](Br)[C@@H]1OC[C@H]2CCCC[C@H]21 2336044655 PSNUQTXPEXKEEB-OJAWGZOXSA-N 480.240 6.669 50 10 JKGE Clc1cc(I)c([C@H](Br)[C@H]2CCOc3ccccc32)s1 2338559020 RKKWOFMRBILKFK-TVQRCGJNSA-N 469.569 6.008 50 10 JKGE Cc1cc(Br)c(F)c(Br)c1[C@H](Br)C[C@H]1C[C@H]1C1CC1 2339678835 JDWGEKGXUUWEHM-OUAUKWLOSA-N 455.003 6.531 50 10 JKGE COc1cc(Cl)c([C@H](Br)c2csc(C)c2Br)cc1Br 2343567266 VXDDZMFNAFQMNI-ZDUSSCGKSA-N 489.454 6.728 50 10 JKGE CCc1cc(Br)c(OC)c([C@H](Br)c2sncc2Br)c1 2353040839 UNKZHVDAXJSHJC-NSHDSACASA-N 470.024 5.723 50 10 JKGE Cc1cc(Br)c(C)c([C@@H](Br)C[C@@H]2C[C@H]2C(F)(F)F)c1Br 2357916551 AHVUDUUQDPEUIV-NGZCFLSTSA-N 478.972 6.853 50 10 JKGE FC(F)(F)C12CC([C@H](Cl)c3ccc(OCc4ccccc4)cc3Br)(CO1)C2 2363913376 PPRACASOLMXVLM-LMDPOFIKSA-N 461.705 6.420 50 10 JKGE COc1c(Br)cc(C)c([C@@H](Br)[C@H](C)CC(F)(F)F)c1Br 2365188743 NXBUBEDLUMNAGM-XCBNKYQSSA-N 482.960 6.553 50 10 JKGE CCCN[C@H](c1c(C)cc(Br)c(F)c1Br)[C@H]1C[C@@H](Br)C1 2365221975 YQHJGKWYIBGRMN-WMFXKJRFSA-N 472.034 5.873 50 10 JKGE COc1c(Br)cc(C)c([C@H](Br)[C@H]2C[C@H]2CC(C)C)c1Br 2365232935 DHQSHRYHGJMZEN-UHIISALHSA-N 469.055 6.647 50 10 JKGE COCc1ccc([C@H](Br)c2c(Br)cc(C)c(Br)c2C)s1 2367817517 KSGBWRHHXJDEOR-HNNXBMFYSA-N 483.063 6.521 50 10 JKGE CC(C)c1cccc([C@@H](Br)c2cc(Br)c(Br)cc2F)c1 2369694298 NHWZHQLZRCDJAF-MRXNPFEDSA-N 464.998 6.958 50 10 JKGE CCc1cc(Br)c(OC)c([C@@H](Br)c2scc(Cl)c2Cl)c1 2381257379 CYFNOGQVCMYFKG-LLVKDONJSA-N 459.030 6.873 50 10 JKGE Cc1ccc(CCN(C(=O)CCl)[C@H](C(=O)NC2CCCCC2)c2ccc(Cl)cc2)cc1 3035224 AZOUKSUTXOIYJV-DEOSSOPVSA-N 461.433 5.449 50 10 JKGE COc1cc(/C=N/NC(=O)c2cccc([N+](=O)[O-])c2C)ccc1OCc1cccc2ccccc12 20295781 CPYFLHXXKPFCAK-LQKURTRISA-N 469.497 5.408 50 10 JKGE COc1cc(/C=C(/C#N)c2ccccc2OC)ccc1OC(=O)/C=C/c1ccc(Cl)cc1Cl 31902001 AHBDKWDGGBCMOW-VIVFWABWSA-N 480.347 6.694 50 10 JKGE COc1ccc(NC(=O)/C(C#N)=C\c2cc(Br)ccc2OCc2ccccc2)cc1 33410051 YKWCBQZLHRISOV-UYRXBGFRSA-N 463.331 5.582 50 10 JKGE CCCCSc1ccc(-c2nn(-c3ccccc3)cc2/C=C(/C#N)S(=O)(=O)c2ccccc2)cc1 35445930 HLQVSMFPEKSIHY-DIBXZPPDSA-N 499.661 6.770 50 10 JKGE CCCCOc1ccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)COc4c(C)cccc4C)ccc32)cc1 38650814 TVLDZHRVSZISAB-NDEPHWFRSA-N 498.579 5.685 50 10 JKGE N#CC1=C(N)Oc2cc(OC(=O)Cc3ccc(Cl)cc3)ccc2[C@H]1c1ccc(Cl)cc1Cl 38655619 QLQQJXLCHYYTAT-HSZRJFAPSA-N 485.754 6.013 50 10 JKGE Cc1ccc(COc2cccc([C@H]3C(C#N)=C(N)Oc4cc(OC(=O)c5cccs5)ccc43)c2)cc1 38686652 KUZWWBIIUYVEIH-HHHXNRCGSA-N 494.572 6.073 50 10 JKGE Cc1cc(/C=C(\C#N)C(=O)Nc2cccc(Br)c2)c(C)n1-c1ccc(C(=O)O)c(Cl)c1 59302330 PJYRWLHUATYAEY-CXUHLZMHSA-N 498.764 5.754 50 10 JKGE Cc1ccc(-c2ccccc2)n1-c1ccc(C(=O)N/N=C/c2ccc(-c3ccc(C(=O)O)cc3)o2)cc1 59305091 SSNDWDWCTYNEQS-ZCTHSVRISA-N 489.531 6.175 50 10 JKGE Cc1cc(Br)ccc1-n1c(CCl)nc2cc(I)c(F)cc21 97408477 QQYHBSLJQGFENP-UHFFFAOYSA-N 479.518 5.579 50 10 JKGE CS/C(NC(=O)c1ccccc1)=C(/C#N)[C@@H](CC(=O)c1ccccc1)c1ccccc1Cl 100381846 ROLSTKBUVWCZAT-OUJYPELJSA-N 460.986 6.225 50 10 JKGE O=c1[nH]c2cc(Br)c([C@H](Br)c3cc(Br)ccc3Cl)cc2[nH]1 109884133 XNNJNFYCSCHARV-ZDUSSCGKSA-N 495.396 5.519 50 10 JKGE C[C@@H](Cl)c1nc2ccc(Br)cc2n1-c1cc(Br)ccc1Br 115770591 GJDUSIINANQCOM-MRVPVSSYSA-N 493.424 6.613 50 10 JKGE Cc1sc(Br)cc1[C@H](Br)c1cc(C(F)(F)F)ccc1Br 159844007 SRJRGQFRABQHJN-LBPRGKRZSA-N 492.980 7.085 50 10 JKGE CCOc1cc(Cl)c([C@H](Cl)c2cc(Br)c(Br)s2)cc1Cl 164463470 HSVOOMBKEBRDQK-LBPRGKRZSA-N 479.448 7.307 50 10 JKGE COc1cccc(/C=C(/C#N)c2nc(-c3ccc(Cl)cc3)cs2)c1OCc1ccccc1 169939246 HYULNIWIQFQGQR-STZFKDTASA-N 458.970 7.115 50 10 JKGE Brc1cc([C@H](Br)[C@H]2[C@@H]3CCc4ccccc4[C@@H]23)sc1Br 227474303 QWMKOIXUVDYMHP-RABLLNBGSA-N 477.059 6.685 50 10 JKGE Clc1ccc(Br)cc1[C@H](Br)c1cc(Br)c(Cl)s1 227845848 ZTDPYNYHMGGQES-JTQLQIEISA-N 479.846 7.064 50 10 JKGE Clc1cccc(C[C@H](Br)c2ccc(Br)cc2Br)c1 236065969 QEMRSJWZKXEAQR-ZDUSSCGKSA-N 453.399 6.544 50 10 JKGE Cc1ccc(C)c(OCC(=O)NN=Cc2cc(Br)ccc2OCc2ccccc2)c1 254287259 RVJOMELVIPBRPA-UHFFFAOYSA-N 467.363 5.174 50 10 JKGE CCCCOc1ccc(OCC(=O)NN=Cc2ccc(OC(=O)c3cccc4ccccc34)cc2)cc1 254385476 LZUQJSOOWQFAMS-UHFFFAOYSA-N 496.563 5.767 50 10 JKGE O=C(Cc1cn2ccsc2n1)NN=Cc1c(-c2ccccc2)n(-c2ccccc2)c2ccccc12 254595722 MFLDHFANZQMFMN-UHFFFAOYSA-N 475.577 5.700 50 10 JKGE CC(C)(C)OC(=O)NCCN1CC[C@@H](c2cccc(CO[Si](C)(C)C(C)(C)C)c2)c2ccccc21 616675331 QNYIGJADTWDQGU-DEOSSOPVSA-N 496.768 7.075 50 10 JKGE Cc1cc(Br)c([C@H](Br)[C@@]23CCC[C@H]2OCC3)cc1Br 687346649 WQQRTSBQEMYAQK-QLFBSQMISA-N 453.012 5.915 50 10 JKGE Cl[C@H](Cc1ccccc1Br)c1cc(Br)sc1Br 692425429 XZMQBEXTSGGSTC-SNVBAGLBSA-N 459.428 6.558 50 10 JKGE CCn1cc([C@@H](Br)c2c(Br)cc(F)c(F)c2F)nc1Br 698416812 NGMBPZGRFRDKND-SECBINFHSA-N 476.916 5.330 50 10 JKGE Brc1cc([C@H](Br)c2ncsc2Br)c(Br)s1 698607859 DITHYFMZWVHFPR-YFKPBYRVSA-N 496.869 5.976 50 10 JKGE CO[C@](C)(COCc1ccccc1)Cn1c(CCl)nc2cc(I)ccc21 702783313 YPGKZHOZPFECLR-FQEVSTJZSA-N 484.765 5.002 50 10 JKGE Cc1c(Cl)ccc2nc(CCl)n(CC3(N(Cc4ccccc4)Cc4ccccc4)COC3)c12 705612289 WMBQSMNKZWBHQX-UHFFFAOYSA-N 480.439 6.208 50 10 JKGE Cc1ccc([C@@H](Br)c2cc(F)cc(Br)c2)c(C)c1Br 719532826 CADPETVKYUMGHY-HNNXBMFYSA-N 450.971 6.452 50 10 JKGE Cl[C@H](Cc1nc2ccccc2o1)c1ccc(I)c(Br)c1 721576317 FCZUVYCLJHLEPC-LLVKDONJSA-N 462.512 5.718 50 10 JKGE O=C(CSc1nc2ccccc2s1)NN=Cc1ccc(OCc2ccc(Cl)cc2)cc1 1083986759 FNRXTSRFBSHQEQ-UHFFFAOYSA-N 468.003 5.771 50 10 JKGE O=C(NN=Cc1cc(Br)cc(Cl)c1O)c1cc2cc(Br)ccc2o1 1084021460 ZLQTVYZSVAILSW-UHFFFAOYSA-N 472.520 5.081 50 10 JKGE O=C(CSCc1ccc(Cl)cc1)NN=Cc1ccc(Sc2ccc(Cl)cc2)o1 1084051727 FYULSFMKCMHHCT-UHFFFAOYSA-N 451.400 6.121 50 10 JKGE CC(=NNC(=O)COc1ccccc1C)c1ccc2c(c1)[C@@H]1C=CC[C@@H]1[C@H](c1ccc(F)cc1)N2 1084566795 WKDKNAXGUMCVOA-UQARTHHBSA-N 469.560 5.880 50 10 JKGE C=CCOc1ccccc1C=NNC(=O)[C@H](CC)Oc1ccc2ccccc2c1Br 1565517818 MYLCOJINPGREFW-FQEVSTJZSA-N 467.363 5.475 50 10 JKGE Cc1c(C(=O)Oc2cccc3ccccc23)oc2c1C(=NNC(=O)c1cccc(Cl)c1)CCC2 1772747887 LRVQTPHCPXAXGX-UHFFFAOYSA-N 472.928 6.084 50 10 JKGE Cc1c(C(=O)Oc2cccc3ccccc23)oc2c1C(=NNC(=O)Cc1ccc([N+](=O)[O-])cc1)CCC2 1772748118 RUIBTLNKNFEBLT-UHFFFAOYSA-N 497.507 5.268 50 10 JKGE Cc1cc(C)c(NC(=O)COc2cccnc2NC(=O)Nc2ccc(SC#N)cc2)c(C)c1 1858832677 MJYHZAXEVOKNKY-UHFFFAOYSA-N 461.547 5.242 50 10 JKGE CCCc1nn(Cc2ccc(Cl)cc2)c2c1[C@H](c1ccc(Cl)cc1Cl)C(C#N)=C(N)O2 1865686211 SCJDFCCTBNEMBO-HXUWFJFHSA-N 473.791 6.062 50 10 JKGE CCOc1ccc([C@@H]2C(C#N)=C(N)Oc3c2c(-c2ccc(OC)cc2)nn3Cc2ccccc2)cc1 1865692305 AVJADVRCNJMTSZ-RUZDIDTESA-N 478.552 5.224 50 10 JKGE Cn1cc([C@@H]2C(C#N)=C(N)Oc3c2c(-c2ccccc2)nn3-c2ccccc2Cl)c2ccccc21 1865699002 IGTULUZIUHJXDE-DEOSSOPVSA-N 477.955 5.903 50 10 JKGE COc1ccc(-n2nc(-c3ccccc3)c3c2OC(N)=C(C#N)[C@@H]3c2c[nH]c3ccccc23)cc1 1865700613 YZSNJAQQLKFYPK-XMMPIXPASA-N 459.509 5.247 50 10 JKGE CCCn1nc(-c2ccccc2)c2c1OC(N)=C(C#N)[C@@H]2c1ccc(OC(=O)c2ccccc2)cc1 1865705026 KHPRLOFJVULCOD-DEOSSOPVSA-N 476.536 5.397 50 10 JKGE N#CC1=C(N)Oc2c(c(-c3ccccc3)nn2-c2ccccc2Cl)[C@@H]1c1ccc(C(=O)O)cc1 1865708907 IWDLOSPEOHDUCD-OAQYLSRUSA-N 468.900 5.109 50 10 JKGE CCCc1nn(-c2cccc3ccccc23)c2c1[C@H](c1ccccc1[N+](=O)[O-])C(C#N)=C(N)O2 1865710464 YQFOEUQFXPZQDS-HSZRJFAPSA-N 451.486 5.104 50 10 JKGE CC(C)(C)c1nc(Nc2ccc(SC#N)cc2)cc(N2CCC[C@@H]2c2ccc(C(F)(F)F)cc2)n1 1868342185 NHHHZFTYIPOHTM-OAQYLSRUSA-N 497.590 7.451 50 10 JKGE CCOc1ccc(-c2nc(Nc3ccc(SC#N)cc3)cc(N3CCc4nc[nH]c4[C@H]3C)n2)cc1 1868527506 CNKYAMKAKCRGFT-QGZVFWFLSA-N 483.601 5.706 50 10 JKGE CCc1cccc(CC)c1N1C[C@@H](/C(O)=C(\C#N)c2nc(-c3ccc(F)cc3)cs2)CC1=O 1872753227 NCVWSOFPYMGCIJ-GYGWLHPRSA-N 461.562 5.920 50 10 JKGE COc1cc(Cl)c(C)cc1-c1csc(/C(C#N)=C(O)/C(=C\c2ccccc2)c2ccccc2)n1 1872757144 SEDPNLSTRKINJQ-XYKRTHMNSA-N 485.008 7.814 50 10 JKGE CCc1ccc(-c2csc(/C(C#N)=C/c3cccc(OC)c3OCc3cccc(C)c3)n2)cc1 1872781368 BCGWHBVWGVFBLH-PCLIKHOPSA-N 466.606 7.333 50 10 JKGE CCCCCCOc1ccc(/C=N/NC(=O)CCCCCNC(=O)OC(C)(C)C)cc1OC 1873795693 XPMNSSNRAHFCIF-ZXVVBBHZSA-N 463.619 5.190 50 10 JKGE CC(C)(C)OC(=O)NCCCCCC(=O)N/N=C/c1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1 1873795746 ZWERYXFLYSXSCF-OGLMXYFKSA-N 461.647 5.522 50 10 JKGE COc1cccc([C@@H](Br)c2c(Br)sc(Br)c2Cl)c1C 1923038991 MCYNUGSDMBBPJN-SNVBAGLBSA-N 489.454 6.728 50 10 JKGE ClCCc1nc2cc(I)ccc2n1-c1cscc1Br 1925115829 PICDDVHZFYNHOJ-UHFFFAOYSA-N 467.557 5.235 50 10 JKGE Cc1c(Cl)cc(C(=O)N(Cc2ccccc2)C(C)(C)CBr)cc1Br 2002241362 AUDYASOFVLKWSW-UHFFFAOYSA-N 473.636 6.227 50 10 JKGE O=C(c1c(Cl)cccc1Br)N(Cc1ccccc1)[C@H](CBr)C1CC1 2003557881 MBYHBKZSPZPAQF-QGZVFWFLSA-N 471.620 5.918 50 10 JKGE O=C(Nc1c(Br)cc(Br)cc1Br)[C@H]1C[C@@H](Br)C1 2020158747 FKGIAIJQPSKLJD-OLQVQODUSA-N 490.815 5.086 50 10 JKGE Cc1cc2nc(CCl)n(CCCN(Cc3ccccc3)Cc3ccccc3)c2cc1Cl 2025887253 ITBBUCXRFBPDDA-UHFFFAOYSA-N 452.429 6.829 50 10 JKGE FC1(F)CCC[C@@H]2[C@H]([C@@H](Br)c3sc(Br)cc3Br)[C@@H]21 2051237153 BLDFJBTYSKUREH-KNPZVZKISA-N 464.995 6.391 50 10 JKGE COc1cc(/C=C(/C#N)c2nc3ccccc3[nH]2)ccc1OC(=O)C12C[C@H]3C[C@@H](C1)C[C@@H](C2)C3 2059061627 RZFUICVQTGLGLX-KTIAZTOVSA-N 453.542 5.757 50 10 JKGE BrCc1ccc(Br)cc1N1CC[C@@H]2CCN(Cc3ccccc3)C[C@@H]2C1 2092524910 UXLXBPXGYZCFJD-AZUAARDMSA-N 478.272 5.692 50 10 JKGE C[C@H]1CCO[C@H]1CC(CBr)(CBr)c1cccc(Br)c1 2096130945 ZIFUJNHNAJBZAC-FZMZJTMJSA-N 455.028 5.292 50 10 JKGE C[C@H]1CC[C@@H](CCOc2c(Br)cc(Br)cc2CBr)O1 2104839456 ZVUVSNOCDCIUPU-CABZTGNLSA-N 457.000 5.443 50 10 JKGE CCc1nc([C@@H](Br)[C@@H](C)c2ccncc2Br)c(Br)s1 2113187385 MDYPKBPFKOUPTL-CPCISQLKSA-N 469.040 5.865 50 10 JKGE CCc1nc([C@H](Br)[C@@H](C)c2ccncc2Br)c(Br)s1 2113187388 MDYPKBPFKOUPTL-WRWORJQWSA-N 469.040 5.865 50 10 JKGE O=C1Cc2cc([C@H](Br)c3cc(Br)cs3)c(Br)cc2N1 2115924334 LEEWSTOBWAABOV-ZDUSSCGKSA-N 465.992 5.252 50 10 JKGE CCCOc1ccc([C@H](Cl)c2cc(I)sn2)cc1Br 2120031238 HOEDFBHLSRRIMH-ZDUSSCGKSA-N 472.573 5.627 50 10 JKGE CCCC1([C@@H](Br)c2c(C)c(Br)cc(C)c2Br)CCC1 2136380920 XGTWPYSYPJDFJU-HNNXBMFYSA-N 453.056 7.235 50 10 JKGE Cc1c(Br)ccc([C@H](Br)c2ccc(Cl)cc2Cl)c1Br 2138852321 NITFSYCNLCNBCZ-CQSZACIVSA-N 487.844 7.311 50 10 JKGE ClCc1nc2cncc(Br)c2n1-c1cc(Cl)ccc1I 2151790220 NCHROSIKPBWFBW-UHFFFAOYSA-N 482.934 5.180 50 10 JKGE Clc1nsc(CC(CBr)(CBr)Cc2ccccc2)c1Cl 2167231759 OKWRIWMPUBLBAF-UHFFFAOYSA-N 458.046 6.011 50 10 JKGE Cc1cc(Br)c([C@@H](Br)[C@@]2(C)CCCCC2(F)F)cc1Br 2167934379 BAZGRRSXLKLQOS-ZIAGYGMSSA-N 475.009 7.172 50 10 JKGE C[C@H](Cl)c1nc2cc(Cl)c(Br)cc2n1Cc1nccn1Cc1ccccc1 2169011107 ORSXTUBBAVTWIN-ZDUSSCGKSA-N 464.194 6.045 50 10 JKGE C[C@H](Cl)c1nc2ncccc2n1-c1cc(Br)ccc1I 2175996260 ANXGGWVFFFFUPS-QMMMGPOBSA-N 462.516 5.087 50 10 JKGE Cc1cc(Br)c(C)c([C@H](Br)[C@@H]2C[C@H]3C[C@H]2[C@H]2C[C@@H]23)c1Br 2201070333 YRPXVQBCJZSJRY-KABUYRKWSA-N 463.051 6.557 50 10 JKGE CC[C@@H](Cl)[C@@H]1CCCCN1C(=O)c1ccc(Br)cc1I 2207270727 DFBNILMXPDHLHU-OCCSQVGLSA-N 470.576 5.066 50 10 JKGE CC(C)(CBr)N(Cc1ccccc1)C(=O)Cc1ccc(Br)cc1Cl 2215853822 KPOLNDJJHZOIAY-UHFFFAOYSA-N 473.636 5.847 50 10 JKGE Cc1ccc([C@@H](C)[C@H](Br)c2sc(Br)cc2Br)cc1 2223963534 JNUWJNDERVXXCV-RNCFNFMXSA-N 453.037 6.821 50 10 JKGE CC[C@H]([C@H](Br)c1c(Br)cc(Cl)c(Cl)c1Cl)C(C)(F)F 2224304931 OJYJNVAQQHQMBG-ANLVUFKYSA-N 459.383 7.527 50 10 JKGE Cc1ccc([C@H](Br)[C@H](C)c2ccncc2Br)cc1I 2224618662 MPGIXVJJRARWDW-MEBBXXQBSA-N 494.996 5.997 50 10 JKGE Cc1c(Br)csc1[C@@H](Br)c1ccc2c(c1Br)CCO2 2229743352 BPKZJXIVSSBQER-ZDUSSCGKSA-N 467.020 6.001 50 10 JKGE Cc1cc([C@H](Br)Cc2cc(Cl)cc(Cl)c2)ccc1I 2232132805 BLGWRQMYGLFCSV-CQSZACIVSA-N 469.975 6.585 50 10 JKGE Cc1ccc(I)c([C@H](Br)Cc2c(F)cccc2Cl)c1 2232184485 URSHRNDEXUQRGP-GFCCVEGCSA-N 453.520 6.071 50 10 JKGE COc1ccc([C@@H](Br)c2cc(Br)c(Br)s2)cc1C(C)C 2233136111 IXBOIZVYJJSJEW-CQSZACIVSA-N 483.063 6.889 50 10 JKGE Fc1cc(Br)c(Br)cc1[C@H](Br)C(F)(F)C1CCOCC1 2233974135 DCTCJQVNYXHLSP-LBPRGKRZSA-N 480.944 5.849 50 10 JKGE Cc1cc([C@@H](Br)c2cc(Br)c(Cl)cc2F)cc(C)c1Br 2235681101 GHLZGEJOYBYVPS-OAHLLOKOSA-N 485.416 7.105 50 10 JKGE COc1cc(Cl)c(Cl)cc1[C@@H](Br)c1cccc(OCc2ccccc2)c1 2264367504 WIIDHVZNRNODAY-NRFANRHFSA-N 452.175 7.065 50 10 JKGE Fc1cc(Br)c(F)c(Br)c1[C@H](Br)[C@@H]1[C@@H]2CCOC[C@H]21 2272855023 JNTUURZZKFBXAC-LIUHEQGWSA-N 460.938 5.208 50 10 JKGE Cc1cccc([C@@H](Br)Cc2ccc(Cl)c(F)c2)c1I 2277790429 GOIWAAJJHQWRSL-LBPRGKRZSA-N 453.520 6.071 50 10 JKGE Cc1cc(F)ccc1[C@@H](Br)Cc1cc(Br)cc(Br)c1 2277963358 TZWBJBMZGAQRGA-HNNXBMFYSA-N 450.971 6.338 50 10 JKGE COc1ccc([C@@H](Cl)c2ccc(Br)cc2I)c(C)c1C 2284606995 NELKYFVZLSBZTR-MRXNPFEDSA-N 465.556 6.007 50 10 JKGE COc1cc(C)c(Br)c(C)c1[C@@H](Cl)c1ccc(I)cc1 2285081084 ZEZYMVNLFOIGCM-INIZCTEOSA-N 465.556 6.007 50 10 JKGE COc1ccc(Br)c2c1nc([C@@H](C)Cl)n2[C@@H](C)CN(C)Cc1ccccc1 2286086412 YUFGMGDQMRFMIZ-LSDHHAIUSA-N 450.808 5.800 50 10 JKGE Fc1cc(Br)c(F)c(Br)c1[C@H](Br)[C@@H]1CC12CCOCC2 2288344999 BFUXHYHJVXJUIJ-WRWORJQWSA-N 474.965 5.743 50 10 JKGE Fc1cc(Br)c(F)c(Br)c1[C@@H](Br)C[C@H]1CCCC12CC2 2288488774 MGLHALHAQBRJND-BDAKNGLRSA-N 472.993 6.896 50 10 JKGE CCCOc1ccccc1C=C(C#N)C(=O)Nc1ncc(Cc2cc(Cl)ccc2Cl)s1 2293038534 JPWODQJYMPBKMW-UHFFFAOYSA-N 472.397 6.375 50 10 JKGE CCOc1cc(C=C(C#N)C(=O)Nc2cc(C)ccc2C)cc(I)c1OCC 2295196095 UHCKIBVSFBYPTM-UHFFFAOYSA-N 490.341 5.251 50 10 JKGE CCn1cc(Br)c([C@H](Br)c2cc(Cl)cc(Br)c2OC)n1 2295283511 OQHADLJZSOGREB-LLVKDONJSA-N 487.417 5.574 50 10 JKGE Cc1ccc(S(=O)(=O)C(C#N)=Cc2c(Oc3cc(C)cc(C)c3)nc3c(C)cccn3c2=O)cc1 2296720335 RUMQXNCSSXLCDT-UHFFFAOYSA-N 485.565 5.059 50 10 JKGE COc1cccc(C=C(C#N)c2nc3ccc(C)cc3[nH]2)c1OCc1ccc(Cl)cc1Cl 2297321818 PYASMJZPPVZLFL-UHFFFAOYSA-N 464.352 6.830 50 10 JKGE C[C@]12C[C@]([C@@H](Br)c3ccc(OCc4ccccc4)cc3Br)(CO1)C2 2299535450 OVQGZLCFMHBPMO-UFYCRDLUSA-N 452.186 6.033 50 10 JKGE FC[C@@H]1C[C@H]1[C@H](Br)c1c(Cl)cc(Br)c(F)c1Br 2300168404 JJWPHTIMWGDMKP-ZDEZVYLVSA-N 453.346 6.046 50 10 JKGE CC1(C)[C@H](Br)C[C@H]1OCc1ccc(I)c(Br)c1 2306299373 PSJVWYWBOTVTRB-VXGBXAGGSA-N 473.974 5.132 50 10 JKGE O=C(COc1ccc(Cl)cc1Cl)NN=C(C=Cc1ccccc1)C=Cc1ccccc1 2313512334 CQEXFFIVRJJIIO-UHFFFAOYSA-N 451.353 6.271 50 10 JKGE COc1cc(C=C(C#N)C(=O)N(C)C)cc(Br)c1OCc1cccc2ccccc12 2313568748 YFLGXOGELFOHKB-UHFFFAOYSA-N 465.347 5.185 50 10 JKGE Cc1ccc(Cl)cc1NC(=O)C(C#N)=Cc1cc(Br)ccc1OCc1ccc(F)cc1 2313676751 AETKMNJJMHIHJK-UHFFFAOYSA-N 499.767 6.675 50 10 JKGE COc1ccc(N2C(=O)[C@@H](Cc3ccccc3C)SC2=C(C#N)C(=O)Nc2cccc(C)c2)cc1 2314592545 XEDRCZIUJGLKHY-RUZDIDTESA-N 483.593 5.377 50 10 JKGE CCc1ccc(N2C(=O)[C@H](Cc3cccc(Cl)c3)SC2=C(C#N)C(=O)Nc2ccccc2)cc1 2314592809 CBFFMRZOGBOSQZ-DEOSSOPVSA-N 488.012 5.967 50 10 JKGE COc1cc(C=C(C#N)c2ccc(Cl)cc2)ccc1OC(=O)COc1cc(C)c(Cl)c(C)c1 2314720429 OIMSEHTXVFMGBL-UHFFFAOYSA-N 482.363 6.667 50 10 JKGE Cn1cnc(Br)c1[C@@H](Cl)Cc1cc(Br)cc(Br)c1 2315633196 KGCZJBWZBPUPQT-JTQLQIEISA-N 457.391 5.230 50 10 JKGE COc1cc([C@H](Br)c2sc(Cl)cc2I)ccc1C 2316599036 LLWADAGCPAYQAQ-LBPRGKRZSA-N 457.558 5.807 50 10 JKGE Clc1cc(Br)c(C[C@H](CBr)c2ccc(Br)cc2)s1 2322530386 AVYGNEWPFZMXMZ-SECBINFHSA-N 473.455 6.648 50 10 JKGE COc1cc(C=CC(=O)Nc2ccc(SC#N)cc2)ccc1OCc1ccc(Cl)cc1 2326974263 QQXYUIISQCEKNY-UHFFFAOYSA-N 450.947 6.153 50 10 JKGE CC[C@H](C)[C@H](NC(=O)OC(C)(C)C)C(=O)NN=Cc1c(OCc2ccccc2)ccc2ccccc12 2328821248 QDXZTHRSFVOPEV-FNZWTVRRSA-N 489.616 5.808 50 10 JKGE CCCOc1ccc(C=CC(=O)NCc2ccc(OC(=O)Nc3ccc(SC#N)cc3)cc2)cc1 2329388310 PXTHWVFFEUSJTL-UHFFFAOYSA-N 487.581 5.989 50 10 JKGE CCc1cccc(CC)c1N1C[C@H](C(O)=C(C#N)c2nc(-c3ccccc3Cl)cs2)CC1=O 2331266777 HGQSPGLYVAAZDK-GOSISDBHSA-N 478.017 6.434 50 10 JKGE C[C@@H](c1ccccc1)N1C[C@@H](C(O)=C(C#N)c2nc(-c3ccc(F)cc3F)cs2)CC1=O 2331286596 OEYZNUWJMBKBFN-HOCLYGCPSA-N 451.498 5.491 50 10 JKGE CCOc1ccc(CCC(O)=C(C#N)c2nc(-c3cc(C)ccc3OC)cs2)cc1OC 2331324270 CFIVOWQSASATSA-UHFFFAOYSA-N 450.560 5.960 50 10 JKGE COc1ccc(-c2csc(C(C#N)=C(O)[C@@H](C(C)C)N3C(=O)c4ccccc4C3=O)n2)c(C)c1C 2331361520 ZWZNAGKOLNBUJV-HSZRJFAPSA-N 487.581 5.549 50 10 JKGE N#CC(=C(O)c1cccc(Oc2ccccc2)c1)c1nc(-c2cc(Cl)ccc2Cl)cs1 2331404469 JHMBGAMMNQLNTB-UHFFFAOYSA-N 465.361 7.859 50 10 JKGE C[C@@H](c1ccccc1)N1C[C@@H](C(O)=C(C#N)c2nc(-c3cc(Cl)ccc3Cl)cs2)CC1=O 2331404617 UWWJFJSVNZPTNN-HOCLYGCPSA-N 484.408 6.519 50 10 JKGE COc1ccc(-c2csc(C(C#N)=Cc3ccc(OCc4ccccc4)cc3)n2)cc1OC 2331417396 MCOLMDDOWFIRGR-UHFFFAOYSA-N 454.551 6.470 50 10 JKGE N#CC(=Cc1ccc(OCc2ccccc2Cl)cc1)c1nc(-c2ccc3c(c2)OCCO3)cs1 2331452200 ROUHGDNRDUEZHP-UHFFFAOYSA-N 486.980 6.878 50 10 JKGE COc1cc(C=C(C#N)c2nc(-c3cc(Cl)ccc3OC)cs2)ccc1OCc1ccccc1 2331489842 HOEUQNBFXMAEBQ-UHFFFAOYSA-N 488.996 7.124 50 10 JKGE BrCc1cc(Br)cc(Br)c1OC[C@H]1C[C@@H]2CC[C@H]1C2 2334281006 YTFXSUXFDSEHQC-JFGNBEQYSA-N 453.012 5.922 50 10 JKGE Fc1cc(Br)c(F)c(Br)c1[C@H](Br)[C@@H]1C[C@@H]2CC[C@H]1C2 2334719401 GQFDDRAZVVEDKA-BSFVXNEUSA-N 458.966 6.362 50 10 JKGE Cc1c(OCc2cc(I)ccc2Cl)ccnc1CBr 2352249456 REAFFFVVJHKEHI-UHFFFAOYSA-N 452.517 5.122 50 10 JKGE C[C@@H]1CCC[C@](CBr)(OCc2cc(I)ccc2Cl)C1 2352253669 NJJDCXXBHYNCOI-ABAIWWIYSA-N 457.577 5.805 50 10 JKGE Fc1cc(Cl)c(Br)c(Cl)c1[C@H](Br)[C@@H]1[C@@H]2CCC(F)(F)[C@H]21 2360425107 ZJCZAHOJEKTTBK-BBYJEXDRSA-N 452.923 6.622 50 10 JKGE FC[C@]12C[C@]([C@H](Br)c3c(F)cc(Cl)c(Br)c3Cl)(CO1)C2 2360485021 XSVDGAQDENHHMC-JHJVBQTASA-N 450.932 5.850 50 10 JKGE Fc1c(Br)cc(Cl)c([C@H](Br)C2[C@H]3CCCCC[C@H]23)c1Br 2362228928 PUKYZBASKDLLEL-UVPNAGLESA-N 489.448 7.266 50 10 JKGE CS(=O)(=O)[C@H]1C[C@H]([C@@H](Cl)c2c(Cl)cc(Br)c(F)c2Br)C1 2362241683 ZDAUPLQFJUMATL-WHHMAUIRSA-N 468.997 5.107 50 10 JKGE CC(C)Oc1ccc([C@H](Br)c2ccc(Cl)cc2I)cc1 2365593101 RYTIBEGMFPEZGD-INIZCTEOSA-N 465.556 6.216 50 10 JKGE COc1ccc(OCc2ccc(Cl)cc2I)c(CBr)c1 2365647792 NIVFSEZVKPOOIU-UHFFFAOYSA-N 467.528 5.427 50 10 JKGE COc1c(CBr)cccc1OCc1ccc(Cl)c(I)c1 2367218610 RDHAUZLFKOMOSY-UHFFFAOYSA-N 467.528 5.427 50 10 JKGE Clc1ccc(I)cc1CN1CC2(CCC2)CC[C@@H]1CBr 2380512719 SPDDHHYBSZRCBA-CQSZACIVSA-N 468.604 5.474 50 10 JKGE CCOc1ccccc1N/C(SCc1ccc(C)cc1C)=C(/C#N)C(=O)NCc1cccs1 3058970 VUYMDECBUYTFPH-XTCLZLMSSA-N 477.655 6.161 50 10 JKGE CCSc1ccsc1[C@@H]1C(C#N)=C(N)N(c2ccccc2F)C2=C1C(=O)CC(C)(C)C2 9982051 FVMALBJUSDNVAY-HXUWFJFHSA-N 453.608 5.940 50 10 JKGE COc1ccc(/C(C#N)=C\c2ccc(OC(=O)c3ccc(Br)o3)c(OC)c2)cc1OC 31902074 OVAJLHKOISKPMD-YBEGLDIGSA-N 484.302 5.351 50 10 JKGE CC(/C=N\NC(=O)CSc1nc2ccccc2n1Cc1ccccc1Cl)=C\c1ccccc1 32576854 IIFQQIBJLOVQSA-POPDPWEWSA-N 475.017 6.036 50 10 JKGE CCOC(=O)/C(C#N)=C/c1ccc(OC(=O)/C(C#N)=C\c2ccc(C(C)C)cc2)c(OCC)c1 33378288 JDDMQOFKRDFMKQ-WAJXZNKBSA-N 458.514 5.191 50 10 JKGE COc1ccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4ccc(Cl)cc4Cl)ccc32)c(OC)c1 38656889 QMCJTRZHWZONLY-QHCPKHFHSA-N 497.334 5.448 50 10 JKGE CC(C)(C)c1ccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4cc5ccccc5oc4=O)ccc32)cc1 38687137 YXFBYQHNSRJDEI-SANMLTNESA-N 492.531 5.528 50 10 JKGE Cc1ccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4sc5cccc(Cl)c5c4Cl)ccc32)o1 38688664 FGGMDUFMKSMCDI-IBGZPJMESA-N 497.359 6.547 50 10 JKGE CCCCC1CCC(C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@@H]3c2ccc(OC)cc2)CC1 40530345 FBJYVZYFGGUTKC-CYBGMGPVSA-N 460.574 5.815 50 10 JKGE COc1ccccc1NC(=O)c1oc2c(c1C)/C(=N/NC(=O)c1ccc(Br)cc1)CCC2 40811799 WNCXPISKRKUYNL-OVVQPSECSA-N 496.361 5.082 50 10 JKGE Cc1cc(C)cc(NC(=O)c2oc3c(c2C)/C(=N/NC(=O)c2cccc4ccccc24)CCC3)c1 40813539 MFGGZOULQUYAHF-QFMPWRQOSA-N 465.553 6.081 50 10 JKGE COc1ccc2ccccc2c1/C=N/NC(=O)COc1ccc(C(C)(C)c2ccccc2)cc1 40912144 GOEIWFCJEKWSJS-NDZAJKAJSA-N 452.554 5.703 50 10 JKGE COc1ccc(CC(=O)N/N=C/c2ccc(OCc3ccc(Cl)cc3Cl)cc2)cc1OC 58835154 MARRVFSEQXEPBO-MZJWZYIUSA-N 473.356 5.282 50 10 JKGE Cc1ccc(NC(=O)/C(C#N)=C/c2c(C)n(Cc3ccc(Br)cc3)c3ccccc23)cc1 59335175 JNMLYPOSHCKTNA-RCCKNPSSSA-N 484.397 6.615 50 10 JKGE N#C/C(=C/c1ccc(Sc2ccc(Br)cc2)o1)c1nc(O)c2ccccc2n1 97414864 MDVXSOPRGHADHU-QBFSEMIESA-N 450.317 5.906 50 10 JKGE CCc1ccc(-c2csc(/C(C#N)=C\Nc3ccccc3I)n2)cc1 100159711 GKQRAEAJXOPKNS-VBKFSLOCSA-N 457.340 5.954 50 10 JKGE CCN1C(=O)C(C#N)=C(C)/C(=C\c2cn(-c3ccccc3)nc2-c2ccc(OCC(C)C)cc2)C1=O 101332470 PPAGBUXOLULQLY-MFKUBSTISA-N 480.568 5.186 50 10 JKGE CC1=C(C#N)C(=O)N([C@@H](C)c2ccccc2)C(=O)/C1=C/c1ccc(OCc2ccc(F)cc2)cc1 101337925 IDZIMUUHLMYLBC-NTRYICDMSA-N 466.512 5.758 50 10 JKGE CCOC(=O)c1c(NC(=O)/C(C#N)=C\c2ccc(-c3ccc([N+](=O)[O-])cc3Cl)o2)sc(C)c1C 102972272 HBHFQFKILVATPF-ZROIWOOFSA-N 499.932 5.909 50 10 JKGE COc1c(Br)cc(Cl)cc1[C@@H](Br)c1cccc(Br)c1 104041486 XYRPVJTXVUTSOU-ZDUSSCGKSA-N 469.398 6.358 50 10 JKGE BrC[C@H](Cc1ccc(I)cc1)c1ccc(Br)cc1 118657943 KYWARFIORZGSKK-ZDUSSCGKSA-N 479.981 5.775 50 10 JKGE Fc1cccc(C(CBr)(CBr)Cc2cc(F)ccc2Br)c1 118877730 UXSLIGWQTWUWDP-UHFFFAOYSA-N 482.988 5.998 50 10 JKGE Fc1cccc(F)c1C[C@@H](Br)c1cc(Br)sc1Br 122883753 RLNMQLAGKXAOOU-MRVPVSSYSA-N 460.963 6.230 50 10 JKGE FC(F)(F)c1cc([C@H](Br)c2ccc(Cl)cc2Cl)ccc1Br 124618184 FMFSISPDBBHXLS-ZDUSSCGKSA-N 462.918 7.259 50 10 JKGE Clc1cc([C@H](Br)c2ccccc2I)sc1Br 127517312 DSRGTZFRLXVTDC-SNVBAGLBSA-N 492.401 6.253 50 10 JKGE Cc1cc(Br)cc([C@@H](Cl)c2cc(Br)sc2Br)c1 131961131 JESIFCKJUZKWKX-LLVKDONJSA-N 459.428 6.672 50 10 JKGE CCCc1ccc([C@H](Br)c2cc(Br)ccc2I)cc1 233409597 DCHGWHFXDQEFCJ-INIZCTEOSA-N 494.008 6.491 50 10 JKGE COc1ccc([C@H](Br)c2cc(Cl)ccc2Br)cc1Br 234993932 XVOBCVPWRGKBKZ-AWEZNQCLSA-N 469.398 6.358 50 10 JKGE CC[C@@H](Oc1ccc2ccccc2c1Br)C(=O)NN=Cc1ccccc1Br 252642914 ZQWTYIXXNJODPX-GOSISDBHSA-N 490.195 5.673 50 10 JKGE CC(CCc1ccccc1)=NNC(=O)c1ccc([C@@H]2SCC(=O)N2Cc2ccccc2)cc1 254555652 CRXTWVQHWJOABH-MHZLTWQESA-N 457.599 5.199 50 10 JKGE COc1ccc2c(Cl)c(C(=O)NN=Cc3cc(C)n(-c4ccc(C)cc4)c3C)sc2c1 254556463 RGSOEGDHTCTKQO-UHFFFAOYSA-N 451.979 6.043 50 10 JKGE Cc1cc(SCC(=O)NN=Cc2c(OCc3ccccc3)ccc3ccccc23)c2ccccc2n1 254627207 GJBAVGHIMUPWEI-UHFFFAOYSA-N 491.616 6.518 50 10 JKGE CCCOc1ccc(C(=O)Oc2ccc(C=NNC(=O)c3ccccc3OCC)cc2OCC)cc1 254825035 WUJSCTDZXBBZIX-UHFFFAOYSA-N 490.556 5.256 50 10 JKGE Cc1cc(SCC(=O)NN=C2C[C@@H](c3ccccc3)Oc3ccccc32)c(C)cc1Br 254871867 FAYLRPLVHQHGHI-QHCPKHFHSA-N 495.442 6.202 50 10 JKGE Cc1ccc2nc(CCl)n(-c3ccc(Br)c(I)c3)c2c1 312518966 FUDCTSAYXYGVAU-UHFFFAOYSA-N 461.528 5.440 50 10 JKGE C[C@H](CCn1c(CCCl)nc2cc(I)ccc21)N(C)Cc1ccccc1 379609698 HJQUDAAUKOWCQQ-MRXNPFEDSA-N 481.809 5.333 50 10 JKGE COc1c(Br)cc(Cl)cc1[C@@H](Br)c1ccccc1OCc1ccccc1 388418035 MLGYKYWADYAHEC-FQEVSTJZSA-N 496.626 7.174 50 10 JKGE C[C@@H](CCOCc1ccccc1)n1c(CCCl)nc2cc(I)ccc21 389666684 GBXLRHAHRDTMHW-HNNXBMFYSA-N 468.766 5.590 50 10 JKGE COC(=O)c1ccc(CC2=N[C@@H]([C@H](O[Si](C)(C)C(C)(C)C)c3ccc(Cl)nc3)CC2)cc1 575629589 WEFQBNYPBBZBQB-FYYLOGMGSA-N 473.089 6.431 50 10 JKGE CN(C(=O)OC(C)(C)C)c1cccc([C@@H]2c3ccccc3CCN2CCO[Si](C)(C)C(C)(C)C)c1 616585566 QHVPHSNURARESI-AREMUKBSSA-N 496.768 7.027 50 10 JKGE COc1cc(Br)c([C@@H](Br)c2ccsc2Br)cc1OC 698577063 RLAHPCXUQHUESI-LBPRGKRZSA-N 471.008 5.775 50 10 JKGE CC1(C)CC[C@H](CBr)N(C(=O)c2cc(Br)c(Br)s2)C1 701636227 FNWKUPDWUNDWOB-MRVPVSSYSA-N 474.056 5.299 50 10 JKGE CC1(C)CC[C@H](COc2c(Br)cc(CBr)cc2Br)OC1 713592990 OYLNMHYMICEPIT-LLVKDONJSA-N 471.027 5.691 50 10 JKGE Fc1cc(Br)cc(CBr)c1OCc1cccc(Br)c1 715810772 DFOYMOCLBKCTMJ-UHFFFAOYSA-N 452.943 5.825 50 10 JKGE COc1ccc(Br)cc1C=NNC(=O)c1ccc(NC(=O)c2cccc(Cl)c2)cc1 1081168671 ALCQFJGGFLBNHU-UHFFFAOYSA-N 486.753 5.127 50 10 JKGE CCOc1cc(C=NNC(=O)Cc2ccc(OC)c(OC)c2)ccc1OCc1ccc(Cl)cc1 1083898286 KSENTXOQFFKLNN-UHFFFAOYSA-N 482.964 5.028 50 10 JKGE O=C(OCc1ccccc1)N1C[C@@H](CBr)[C@H](c2ccc([N+](=O)[O-])cc2Br)C1 1614641898 IRQNFHNGVCBTRT-RHSMWYFYSA-N 498.171 5.104 50 10 JKGE COc1ccc(/C(C#N)=C/c2ccc(OC(=O)c3ccc(C(F)(F)F)cc3)c(OC)c2)cc1OC 1615066076 KJWNBKPCUOHCRQ-XDHOZWIPSA-N 483.442 6.015 50 10 JKGE Cc1c(C(=O)Nc2cccc(Cl)c2Cl)oc2c1C(=NNC(=O)c1ccc(F)cc1)CCC2 1772744710 HZCYQSRGEYRTPL-UHFFFAOYSA-N 474.319 5.757 50 10 JKGE Cc1c(C(=O)N(C)Cc2ccccc2)oc2c1C(=NNC(=O)c1cccc3ccccc13)CCC2 1772746824 AMTFTTFDRDLUGG-UHFFFAOYSA-N 465.553 5.484 50 10 JKGE Cc1c(C(=O)Nc2ccc(Cl)cn2)oc2c1C(=NNC(=O)c1ccc(Cl)cc1Cl)CCC2 1772749218 YGOKDKHSXLADJN-UHFFFAOYSA-N 491.762 5.666 50 10 JKGE Cc1c(C(=O)Nc2cccc(Cl)c2)oc2c1C(=NNC(=O)c1ccc3ccccc3n1)CCC2 1772751347 OXJQEWGFBXBDQX-UHFFFAOYSA-N 472.932 5.512 50 10 JKGE CCc1ccc(OCCCC(=O)NN=Cc2ccccc2OCc2ccccc2)c(Br)c1 1772755597 NMLREDWEAHPHGE-UHFFFAOYSA-N 495.417 5.900 50 10 JKGE N#CC1=C(N)Oc2c(c(C(F)(F)F)nn2Cc2ccccc2F)[C@H]1c1cccc(Br)c1 1865684532 RLXQYSCDCQHYCU-INIZCTEOSA-N 493.258 5.070 50 10 JKGE CCCCCOc1ccc([C@H]2C(C#N)=C(N)Oc3c2c(C)nn3Cc2cccc(F)c2)cc1OCC 1865691411 RAUMPPSBQROUBH-SANMLTNESA-N 490.579 5.565 50 10 JKGE COc1cc([C@@H]2C(C#N)=C(N)Oc3c2c(C)nn3-c2ccccc2)ccc1OCc1ccc(C)cc1 1865696051 WROQTZAGQAQVIR-HHHXNRCGSA-N 478.552 5.295 50 10 JKGE COc1ccc(-n2nc(C(F)(F)F)c3c2OC(N)=C(C#N)[C@@H]3c2ccc(C(F)(F)F)cc2)cc1 1865710750 HEYFYQFPYMBZIB-INIZCTEOSA-N 480.368 5.137 50 10 JKGE Cc1c(OCc2ccc(CCl)cc2)ccc2c1O/C(=C\c1ccc(Cl)cc1Cl)C2=O 1871436671 KECCSKISZFCQFI-YVNNLAQVSA-N 459.756 7.236 50 10 JKGE CCc1cccc(C)c1N1C[C@H](/C(O)=C(\C#N)c2nc(-c3ccc(C(C)(C)C)cc3)cs2)CC1=O 1872750674 JUSRFEQEFFGXOR-LULRDMADSA-N 485.653 6.824 50 10 JKGE COc1cc(Cl)c(C)cc1-c1csc(/C(C#N)=C(\O)COc2c(C)ccc(C)c2C)n1 1872756929 HZIAPXUIQBSYLD-UZYVYHOESA-N 454.979 6.577 50 10 JKGE COc1cc(OC)c(OC)cc1/C=C(\C#N)c1nc(-c2cc(C(C)C)c(OC)cc2C)cs1 1872793064 GMVHPIXZZFJBFQ-GIJQJNRQSA-N 464.587 6.341 50 10 JKGE CC(C)(C)OC(=O)N1CCC[C@H]1C(=O)N/N=C/c1ccccc1OCc1ccc(Cl)c(Cl)c1 1873795104 ROUVLXALTDATEC-SODVTCOWSA-N 492.403 5.422 50 10 JKGE N#C/C(=C(/O)CCCOc1ccc(Cl)cc1)c1nc(-c2ccc(-c3ccccc3)cc2)cs1 1873940947 ONUWIGWXNBTTTF-LCUIJRPUSA-N 472.997 7.782 50 10 JKGE Cc1oc2nc(CCl)nc(NC(=O)OCC3c4ccccc4-c4ccccc43)c2c1C(=O)O 1887591939 RXBHMHMWSJYKIX-UHFFFAOYSA-N 463.877 5.329 50 10 JKGE Clc1c(Br)sc(Br)c1[C@H](Br)[C@@]12COC[C@@H]1C2 1894474876 QTMGZOLBGHMLSS-AYPRXHQESA-N 451.405 5.399 50 10 JKGE ClCC[C@@H](COCc1ccccc1)NCc1cc(Br)ccc1Br 1902924876 XNSSCMPTZPGUPI-KRWDZBQOSA-N 461.625 5.516 50 10 JKGE CC(C)(C)c1ccc([C@H](Br)c2sc(Br)cc2Br)cc1 1922953489 DNRMMJFJRHZSTQ-ZDUSSCGKSA-N 467.064 7.055 50 10 JKGE CC(C)(C)C1CCC([C@H](Br)c2sc(Br)cc2Br)CC1 1922954316 MVZOVZQPCONJQD-ZPPKWKGLSA-N 473.112 7.562 50 10 JKGE C[C@@H](c1ccncc1Br)[C@H](Br)c1ccc(F)cc1Br 1924041645 WEGMJLXZBFIAFG-RTHLEPHNSA-N 451.959 5.985 50 10 JKGE Brc1sc(Br)c([C@@H](Br)[C@H]2CCCOC2)c1Br 1924580362 QZIIAAYHCCUVKE-FSPLSTOPSA-N 497.872 5.898 50 10 JKGE Cl[C@H](c1c(Br)sc(Br)c1Br)[C@H]1CC[C@@H]2C[C@@H]2C1 1924614672 PZPUOCMOBXXHGB-LGVNZDMBSA-N 463.460 6.752 50 10 JKGE CC[C@@H]1CN(c2ccc(CBr)c(Br)c2)CCN1Cc1ccccc1 1946744016 HTFFJEOBVBYAMO-GOSISDBHSA-N 452.234 5.445 50 10 JKGE Fc1ccc([C@H](Br)c2sc(Cl)cc2Br)c(Br)c1 1948828316 JJHWTPICAZSIMY-JTQLQIEISA-N 463.391 6.550 50 10 JKGE CCC(CC)(CC)COC1(CI)CCN(C(=O)OC(C)(C)C)CC1 2011172798 LTGBGULLSRCQJP-UHFFFAOYSA-N 453.405 5.424 50 10 JKGE Cc1cc(Br)c(C)c([C@H](Cl)c2cc(Br)cs2)c1Br 2081063425 ZKICEEYFDOUPJM-CYBMUJFWSA-N 473.455 6.981 50 10 JKGE Cc1ccc([C@@H](Br)c2c(Br)sc(C)c2C)c(Br)c1 2082886790 YTOAGVHDTHKDOY-CYBMUJFWSA-N 453.037 6.683 50 10 JKGE Cc1c(Br)ccc([C@H](Br)c2c(Cl)cnn2C)c1Br 2083317736 JBTGLERBCJXCNF-NSHDSACASA-N 457.391 5.391 50 10 JKGE Cc1c(Br)ccc([C@H](Cl)c2ccccc2Br)c1Br 2083319005 USAXBWIWKXOQOA-CQSZACIVSA-N 453.399 6.611 50 10 JKGE Cc1cc(Br)c([C@@H](Br)[C@@H](CC(C)C)C(C)C)cc1Br 2088586252 AMUQSAQUJAYTBU-LRDDRELGSA-N 455.072 7.274 50 10 JKGE CC1(C)C[C@@H](Br)CCN(Cc2ccc(Br)cc2Br)C1 2092266531 LWELQVLCWGJGKS-ZDUSSCGKSA-N 454.044 5.597 50 10 JKGE Fc1cc(CBr)cc(OCc2cccc(Br)c2Br)c1 2092331742 XJTXKYSVEXUVDF-UHFFFAOYSA-N 452.943 5.825 50 10 JKGE COCC1([C@H](Br)c2cc(Br)c(C)cc2Br)CCCC1 2094190643 SPXRPTOJPWIHLZ-CQSZACIVSA-N 455.028 6.163 50 10 JKGE BrCc1ccc(N2CCC3(CCN(Cc4ccccc4)C3)CC2)c(Br)c1 2107030045 NHTAFHDLAFOLDK-UHFFFAOYSA-N 478.272 5.837 50 10 JKGE Cc1c(Cl)cc([C@H](Br)c2ccc(F)c(Br)c2)cc1Br 2111098132 ZDECNPJJESTSSO-CQSZACIVSA-N 471.389 6.797 50 10 JKGE C[C@H](COCc1ccccc1)Cn1c([C@H](C)Cl)nc2cc(Cl)c(Br)cc21 2112697138 SAULHNQPKIFUQA-KBPBESRZSA-N 456.211 6.605 50 10 JKGE Cc1nc([C@H](Br)c2cc3c(cc2Br)OCC3)c(Br)s1 2113188552 AFXIZVOAKQLLFS-LLVKDONJSA-N 468.008 5.396 50 10 JKGE Clc1cc(Br)cc(CC[C@@H](Br)c2ccccc2Br)c1 2113449379 KDWYLYFDTOMMKZ-OAHLLOKOSA-N 467.426 6.934 50 10 JKGE CO[C@H]1C[C@@H]([C@H](Br)c2c(Cl)sc(Br)c2Cl)C[C@H]1OC 2118285004 GEWHPUJBZIQKME-XQXXSGGOSA-N 453.023 5.693 50 10 JKGE Cc1c(Br)sc([C@H](Br)c2cc3cnn(C)c3s2)c1Br 2118611297 LRIRUTLNPZQIFU-SECBINFHSA-N 485.064 6.014 50 10 JKGE Cc1cc(Br)c(C)c([C@@H](Br)[C@H]2C[C@H]3CC[C@H]2C3)c1Br 2136379802 OGHBHWDDLUOYRG-YWDSYVAPSA-N 451.040 6.701 50 10 JKGE Cc1cc(Br)c(C)c([C@H](Br)CCCC(C)(F)F)c1Br 2136866311 CFDMRHXXRLPMFG-SNVBAGLBSA-N 462.998 7.090 50 10 JKGE Cc1c(Br)ccc([C@H](Br)[C@]23CO[C@](CF)(C2)C3)c1Br 2138848377 FYXZMPCUOCMMRG-IHRRRGAJSA-N 456.975 5.475 50 10 JKGE Fc1cc(Cl)c([C@H](Br)c2cc(Br)cc(Br)c2)cc1Cl 2139427000 SNCQBZSPTXXVAK-CYBMUJFWSA-N 491.807 7.142 50 10 JKGE Cc1cccc([C@@H](Br)c2cc(Cl)c(F)cc2Cl)c1I 2139427636 ZMTAIRBURZGNHL-CYBMUJFWSA-N 473.938 6.530 50 10 JKGE Fc1cc(Br)cc(CBr)c1OCc1ccc(Cl)cc1Br 2144774469 RAYISPZNBYPWJN-UHFFFAOYSA-N 487.388 6.478 50 10 JKGE O=C(N[C@H]1CCCC[C@@H]1CCBr)c1cc(Cl)ccc1I 2146718812 KCBNUFSVRKEHPH-YGRLFVJLSA-N 470.576 5.018 50 10 JKGE COCCc1ccc([C@@H](Br)c2cccc(Br)c2Br)cc1 2148748340 BUJLJLSZOUBKLO-OAHLLOKOSA-N 463.007 5.885 50 10 JKGE Brc1ccc(CC[C@@H](Br)CN2CCCCCC2)c(Br)c1 2155644507 SGXNRNRTBLBQHO-OAHLLOKOSA-N 468.071 5.784 50 10 JKGE FC1(F)C[C@]12CCC[C@H]([C@@H](Br)c1c(Cl)sc(Br)c1Cl)C2 2156116507 LGNWMSZNFZHKHF-BLYIZYRKSA-N 469.016 7.469 50 10 JKGE CC(C)(C)[C@@]1(CBr)CCN(C(=O)c2cc(Br)sc2Br)C1 2160942626 SANJJOPHIFTMBQ-CQSZACIVSA-N 488.083 5.546 50 10 JKGE Cn1nc([C@@H](Cl)c2c(Br)cc(F)c(F)c2F)c(Br)c1Cl 2167043947 VIYHXEJADZDMPO-ZETCQYMHSA-N 452.883 5.344 50 10 JKGE O=C(c1cc(Br)c(Br)s1)N1CC[C@@](CBr)(C(F)(F)F)C1 2167680185 QWLVESNLSCIUOM-JTQLQIEISA-N 499.972 5.063 50 10 JKGE Fc1ccc(I)cc1[C@@H](Cl)c1c(Br)cc(F)c(F)c1F 2169661710 JXJJFDIDXYKDFH-LLVKDONJSA-N 479.436 5.938 50 10 JKGE O=C(c1cc(Br)cc(Br)c1)N(CCBr)Cc1ccsc1 2171085810 UISUFXLJGZJWDG-UHFFFAOYSA-N 482.035 5.310 50 10 JKGE O=S(=O)(c1ccc(Cl)c(CBr)c1Cl)N1CCC(OCc2ccccc2)CC1 2179834503 JMMIXWFLPNCOPJ-UHFFFAOYSA-N 493.250 5.258 50 10 JKGE COc1cc(C)c([C@H](Br)c2ccc(C)c(Br)c2)cc1Br 2198737494 PSJNFUGPDFAMPF-MRXNPFEDSA-N 463.007 6.321 50 10 JKGE Cc1cc(Br)c(C)c([C@@H](Br)[C@@H](C)C2CCCCC2)c1Br 2201067270 JLPIXCFPXOWPSX-GTNSWQLSSA-N 467.083 7.481 50 10 JKGE COc1ccc(C(C)C)cc1[C@@H](Br)c1cc(Br)sc1Br 2203871727 CRSYJUFXACCTRU-CQSZACIVSA-N 483.063 6.889 50 10 JKGE CC[C@H]1[C@@H](c2sc(Br)c(Br)c2Br)CC[C@H]1Cl 2212188977 GUQQWMUOYCLICF-LYFYHCNISA-N 451.449 6.547 50 10 JKGE Cc1cc(Br)c([C@H](Cl)c2c(Br)sc(Br)c2Cl)s1 2215944118 VSFCZACBKRKYDU-ZCFIWIBFSA-N 499.902 7.387 50 10 JKGE CC(C)[C@H](CBr)N(Cc1ccccc1)Cc1c(Br)sc2ccccc12 2217924530 UGNQGCFSXZPJRN-IBGZPJMESA-N 481.297 7.086 50 10 JKGE CCOCc1cc(Br)c([C@H](Br)c2cn(C)c(Br)n2)s1 2224797038 SPJPGFHXZXUADZ-SNVBAGLBSA-N 473.028 5.027 50 10 JKGE CCO[C@@H]1CC[C@@H]([C@H](Br)c2cc(Br)c(Br)cc2F)C1 2225617293 NVHHZKWQYAKWAO-NUPCCRGMSA-N 458.991 5.992 50 10 JKGE C[C@H](Cl)c1nc2cc(Br)c(Br)cc2n1C[C@H]1C[C@H]1Br 2225696714 IITXAPWTPRBYQA-XLPZGREQSA-N 471.418 5.645 50 10 JKGE Cc1c(Br)cccc1[C@H](Cl)c1c(Br)cc(Cl)c(Cl)c1Cl 2232514037 SRICEEYMJHKWHZ-LBPRGKRZSA-N 477.838 7.808 50 10 JKGE Cc1cc(Cl)cc([C@H](Br)c2c(Br)cc(Cl)c(Cl)c2Cl)c1 2232514438 VCAODDXHJULXOT-LBPRGKRZSA-N 477.838 7.855 50 10 JKGE Cc1cc(Br)c([C@H](Br)[C@@H]2CCCCC2(C)C)c(C)c1Br 2235605086 QIDSEIHBWXBKDX-BLLLJJGKSA-N 467.083 7.481 50 10 JKGE COc1cc(Cl)c([C@@H](Br)c2cocc2Br)cc1Br 2258118437 QPGBSBPUKVOPBP-GFCCVEGCSA-N 459.359 5.951 50 10 JKGE Fc1cc(Br)c(F)c(Br)c1[C@H](Cl)c1cc(Br)cs1 2260068418 PRFPNRIYYFVQJU-SNVBAGLBSA-N 481.381 6.642 50 10 JKGE CS(=O)(=O)c1cscc1[C@@H](Cl)c1cc(Br)sc1Br 2260095947 UERPOJCLLCZPOG-VIFPVBQESA-N 450.626 5.066 50 10 JKGE Fc1cccc(I)c1[C@@H](Cl)c1cc(Br)cc2c1OCC2 2282783967 KZTIRHGMVZRSNY-AWEZNQCLSA-N 467.503 5.456 50 10 JKGE Fc1cc(Br)c([C@@H](Br)c2cccc(Cl)c2Br)c(F)c1F 2283188769 NSKYUQWKKRFDAS-NSHDSACASA-N 493.342 6.767 50 10 JKGE COc1c([C@@H](Br)c2ccc(Br)o2)cc(Br)c2c1CCC2 2284513559 BUNIAZOIUTYNSA-CQSZACIVSA-N 464.979 5.786 50 10 JKGE COc1ccc([C@@H](Br)c2ccc(C(F)(F)F)o2)cc1I 2284996823 KPNPJONKBOYSKO-GFCCVEGCSA-N 461.015 5.396 50 10 JKGE CSc1ccc([C@@H](Br)c2c(F)cc(Br)c(F)c2Br)cc1 2288376442 NBYLFWJNAYJBCY-GFCCVEGCSA-N 487.001 6.696 50 10 JKGE FC1(F)CCC[C@H]([C@H](Br)Cc2cc(Br)cc(Br)c2)CC1 2295329965 OXNJJHAKVBTJGW-SMDDNHRTSA-N 475.009 6.733 50 10 JKGE COc1ccc(-c2csc(C(C#N)=CNc3ccc4c(C(F)(F)F)cc(=O)oc4c3)n2)cc1 2295934349 HPDPXMIBNWIKAY-UHFFFAOYSA-N 469.444 5.920 50 10 JKGE CSc1cccc(NC(SCc2cccc(F)c2)=C(C#N)S(=O)(=O)c2ccccc2)c1 2297350001 KXMOZGFPBDJQLO-UHFFFAOYSA-N 470.616 6.059 50 10 JKGE COC1(C[C@H](Br)c2cc(Br)ccc2OCc2ccccc2)CCC1 2299534389 CVUIOKPZPBIJMJ-SFHVURJKSA-N 454.202 6.423 50 10 JKGE COc1ccsc1[C@@H](Br)c1cc(Br)ccc1OCc1ccccc1 2299536058 VXXXQTVANUSQBA-SFHVURJKSA-N 468.210 6.583 50 10 JKGE C[C@@H]1C[C@H](Br)C[C@@H](Cc2ccc(I)c(Br)c2)C1 2306199910 RGPLJCRZNJGHKD-WCQGTBRESA-N 472.002 5.796 50 10 JKGE C[C@]1([C@H](Br)c2cc(Br)ccc2OCc2ccccc2)CCCC1(F)F 2314456349 WLALTISGNUKGLS-RTBURBONSA-N 474.183 7.290 50 10 JKGE Cc1cccc(Oc2nc3c(C)cccn3c(=O)c2C=C(C#N)C(=O)Nc2ccc(C)c(C)c2)c1 2314532586 LTNPAVXGEKQLBT-UHFFFAOYSA-N 464.525 5.266 50 10 JKGE CCc1ccc(N2C(=O)[C@H](Cc3ccc(C)c(C)c3)SC2=C(C#N)C(=O)Nc2cccc(C)c2)cc1 2314592479 UYCHCSHCIBTICC-MHZLTWQESA-N 495.648 6.239 50 10 JKGE N#CC1=C(N)Oc2cc(OC(=O)C=Cc3ccc(Cl)cc3Cl)ccc2[C@H]1c1ccccc1Cl 2314634098 LRVIAYDEITUCQN-XMMPIXPASA-N 497.765 6.484 50 10 JKGE COc1ccc([C@@H](Br)c2sc(Cl)cc2I)cc1F 2316598646 FTIUAMAAOMNMBM-LLVKDONJSA-N 461.521 5.638 50 10 JKGE Fc1cc(Cl)c([C@H](Br)c2sc(Cl)cc2Br)c(Cl)c1 2318357659 OAYVXZYPCIVMNN-JTQLQIEISA-N 453.385 7.094 50 10 JKGE Brc1cc(OCc2ccccc2)ccc1[C@H](Br)C[C@@H]1CC[C@@H]1C1CC1 2319482479 IFOWXGDTADEGIS-FBBABVLZSA-N 464.241 7.290 50 10 JKGE CCN(CC)S(=O)(=O)c1ccc(C(=O)Oc2ccc(C=C(C#N)c3cccc(Cl)c3)cc2)cc1 2320506589 MRPLVHPLGFCVPL-UHFFFAOYSA-N 495.000 5.654 50 10 JKGE CCN(CC)S(=O)(=O)c1ccc(C(=O)Oc2ccc(C=C(C#N)c3ccccc3)cc2)cc1 2320507393 WWWQIGAJWJWLFW-UHFFFAOYSA-N 460.555 5.000 50 10 JKGE Cc1cc(I)ccc1NC=C(C#N)C(=O)NC1CCCCCCCCCCC1 2325474576 YZTUXRCHSGMBEM-UHFFFAOYSA-N 493.433 6.209 50 10 JKGE N#CC(=C(O)COc1cc(Cl)ccc1Cl)c1nc(-c2ccc(-c3ccccc3)cc2)cs1 2331231773 APDXZYLSLKTIKO-UHFFFAOYSA-N 479.388 7.656 50 10 JKGE COc1ccccc1-c1csc(C(C#N)=C(O)[C@@H](CCSC)N2C(=O)c3ccccc3C2=O)n1 2331282362 KNAXWNPWNADQNM-HXUWFJFHSA-N 491.594 5.029 50 10 JKGE CCOc1cc(C(O)=C(C#N)c2nc(-c3cccc(Cl)c3)cs2)cc(OCC)c1OCC 2331293859 LKONXWIPSVAQNG-UHFFFAOYSA-N 470.978 6.609 50 10 JKGE N#CC(=C(O)c1cccc(Oc2ccccc2)c1)c1nc(-c2ccc3c(c2)OCCO3)cs1 2331330980 NOGWMRQLYSLSQX-UHFFFAOYSA-N 454.507 6.323 50 10 JKGE COc1ccc(C(C)(C)C)cc1-c1csc(C(C#N)=C(O)c2c(OC)cccc2OC)n1 2331349445 SVCXIVIAKBYLSV-UHFFFAOYSA-N 450.560 6.083 50 10 JKGE CCOc1ccc(OCC)c(-c2csc(C(C#N)=C(O)c3c(OC)cccc3OC)n2)c1 2331376011 DWRNZPGOMCYDOF-UHFFFAOYSA-N 452.532 5.575 50 10 JKGE Cc1ccc(C(C)(C)C)cc1-c1csc(C(C#N)=C(O)CCCOc2cc(C)c(Cl)c(C)c2)n1 2331397068 FBULJVDCQDLPOV-UHFFFAOYSA-N 495.088 8.338 50 10 JKGE COc1c(Cl)cc(-c2csc(C(C#N)=C(O)c3ccc(Cl)c([N+](=O)[O-])c3)n2)cc1Cl 2331397466 GENCHFRRCNXIEO-UHFFFAOYSA-N 482.732 6.637 50 10 JKGE Cc1cc(C)c(C)c([C@@H](Br)c2cc(Br)ccc2OCc2ccccc2)c1 2336041560 OXDNIIAYMNPTNP-HSZRJFAPSA-N 474.236 7.438 50 10 JKGE Brc1ccc(OCc2ccccc2)c([C@H](Br)c2ccc3sccc3c2)c1 2336050695 MHWSGAVLLITQCP-JOCHJYFZSA-N 488.244 7.727 50 10 JKGE Brc1cc(OCc2ccccc2)ccc1[C@@H](Br)[C@@H]1CC2(CCCC2)CO1 2336078507 POOXBIGCFZEJLH-LEWJYISDSA-N 480.240 6.813 50 10 JKGE C[C@@H]1[C@@H](Br)C[C@H]2CC[C@H]1N2Cc1ccc(Cl)c(I)c1 2337222861 DUADLKAWOSLALG-ADGXKJENSA-N 454.577 5.081 50 10 JKGE Clc1cc(I)c([C@H](Br)[C@@H]2C[C@H]2C2CCCCCC2)s1 2338557102 RZVJVEGGOSXLBY-MISXGVKJSA-N 473.645 7.049 50 10 JKGE C[C@@H](c1ccncc1F)[C@H](Br)c1cc(Cl)ccc1I 2344692699 OBLHYMLKHYYKBC-RTHLEPHNSA-N 454.508 5.718 50 10 JKGE CC1=C(C)C[C@@](CBr)(Cc2ccc(I)c(Br)c2)CC1 2349844858 JRSHERFAPWBCOJ-MRXNPFEDSA-N 498.040 6.498 50 10 JKGE BrCc1ccc(COCc2ccc(I)c(Br)c2)cc1 2350073566 RBPAPGMHOYICEE-UHFFFAOYSA-N 495.980 5.665 50 10 JKGE Clc1ccc(I)cc1CN1[C@H](CBr)C[C@H]2CCC[C@@H]21 2352409111 DCDYQUAPRUOUFT-DGFSRKRXSA-N 454.577 5.083 50 10 JKGE Cc1cc(Br)c(C(C)C)cc1[C@@H](Br)c1csc(Br)c1 2352801696 JGVFPWGADGKVSC-HNNXBMFYSA-N 467.064 7.189 50 10 JKGE O=C(c1scc(Br)c1Br)N1CC[C@@H](Br)C[C@@H]1C(F)(F)F 2361454398 ILZBGXPVFVQWPK-IYSWYEEDSA-N 499.972 5.204 50 10 JKGE CC1(C)OCCC[C@@H]1[C@H](Br)c1c(Cl)cc(Br)c(F)c1Br 2362232787 RXFSSTOVKWUPMA-HQJQHLMTSA-N 493.436 6.645 50 10 JKGE C[C@]12C[C@H](C1)[C@H](COc1c(Br)cc(Br)cc1CBr)CO2 2363005367 PCCVBBKGYAIYOG-HFAKWTLXSA-N 469.011 5.300 50 10 JKGE CCc1cc([C@@H](Br)c2c(Br)c(Br)nn2C)c(F)cc1F 2364064594 TXQLCBFEPDCDSG-SNVBAGLBSA-N 472.953 5.270 50 10 JKGE CCCC[C@H](C)CC[C@H](Br)c1c(C)cc(Br)c(F)c1Br 2365194835 VRDMDKMCEUTULD-JQWIXIFHSA-N 473.062 7.702 50 10 JKGE Cc1cc(C)cc([C@@H](Br)c2c(C)cc(Br)c(F)c2Br)c1 2365214700 CTXDXTXMLSXDES-CQSZACIVSA-N 464.998 6.760 50 10 JKGE Cc1cc(Br)c(F)c(Br)c1[C@H](Br)[C@@]12CCC[C@H]1OCC2 2365221012 ZAVYWLDQFKLLFL-WKPIXPDZSA-N 471.002 6.054 50 10 JKGE CCOc1ccccc1N/C(SCc1ccccc1Cl)=C(/C#N)C(=O)NCc1ccccc1 3052478 MEGVVZZYVQAKOC-YYADALCUSA-N 478.017 6.136 50 10 JKGE CCOc1ccccc1[C@@H]1C(C#N)=C2N=C(N)c3ccccc3N2C2=C1C(=O)C[C@@H](c1ccccc1)C2 3654406 NPMRDHFNPGIAIE-WTYVLRPYSA-N 486.575 5.544 50 10 JKGE CSc1sc(C)cc1[C@@H]1C(C#N)=C(N)N(c2ccccc2F)C2=C1C(=O)CC(C)(C)C2 9982010 YYXAVMTYXHZZEU-HXUWFJFHSA-N 453.608 5.858 50 10 JKGE CC(C)(C)c1ccc(C(=O)Nc2ccc(C(=O)NNC(=O)Cc3cccc4ccccc34)cc2)cc1 12492585 WYJQUTHRDILYHE-UHFFFAOYSA-N 479.580 5.393 50 10 JKGE CCCCCCOc1ccc(C(=O)NNC(=O)COc2ccc(C(C)C)cc2Br)cc1 14028428 MEBAKJOMMRQWEV-UHFFFAOYSA-N 491.426 5.372 50 10 JKGE CCOc1cccc([C@@H]2C(C#N)=C(C)Oc3cc(C)n(CCc4ccccc4)c(=O)c32)c1OCC 19926568 MUZIKRSKIRNSFK-AREMUKBSSA-N 470.569 5.519 50 10 JKGE N#C/C(=C\c1ccc(-n2nc(-c3ccccc3)cc2-c2ccccc2)cc1)C(=O)NCc1ccco1 33568564 QJLOOLPKLMYFLF-XIEYBQDHSA-N 470.532 6.023 50 10 JKGE CCOc1ccc(-c2nn(-c3ccccc3)cc2/C=C(/C#N)c2nc(O)c3ccccc3n2)cc1C 34983891 CAJFUSBRJRXWMM-PGMHBOJBSA-N 473.536 5.959 50 10 JKGE Cc1ccc(C[C@@H]2S/C(=C(C#N)\C(O)=N\c3ccc(F)cc3)N(c3ccc(F)cc3)C2=O)cc1 35189992 HVRJDXHLLAPYRT-YDYXIROLSA-N 475.520 5.988 50 10 JKGE C=CCNC(=O)/C(C#N)=C\c1cn(-c2ccccc2)nc1-c1cccc(OCc2ccccc2F)c1 35446221 NIUJFMHWDGNRQR-KQWNVCNZSA-N 478.527 5.467 50 10 JKGE CCc1ccc(O[C@H](C)C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@H]3c2ccc(CC)cc2)cc1 38677535 DGLOKUVPBRZOIZ-CLYVBNDRSA-N 468.553 5.402 50 10 JKGE O=C(NNC(=S)Nc1ccccc1Cl)c1ccc(-c2cc(C(F)(F)F)ccc2Cl)o1 39892577 DWTJDPTUVTZJKT-UHFFFAOYSA-N 474.291 5.904 50 10 JKGE Cc1c(C(=O)N(Cc2ccccc2)Cc2ccccc2)oc2c1/C(=N/NC(=O)c1cccnc1)CCC2 40814134 YZIMZKLFLORLOE-WGPBWIAQSA-N 492.579 5.296 50 10 JKGE CCOC(=O)/C(C#N)=C/c1ccc(OC(=O)c2sc3ccccc3c2Cl)c(OCC)c1 41007577 MBHSNKSGJQRFJA-RVDMUPIBSA-N 455.919 5.643 50 10 JKGE Cc1ccc(NC(=O)/C(C#N)=C\c2cn(Cc3ccc(Cl)c(Cl)c3)c3ccccc23)cc1 59335553 QAKZKUBZOKSCKD-UYRXBGFRSA-N 460.364 6.851 50 10 JKGE Cc1cccc(CS/C(Nc2cccc(Cl)c2)=C(/C#N)S(=O)(=O)c2ccccc2)c1 96482175 FRNQXESSQOFXPZ-FCQUAONHSA-N 455.004 6.160 50 10 JKGE CCOC(=O)/C(C#N)=C\c1cc(Br)ccc1OCCOc1ccc([C@H](C)CC)cc1 101425363 UGRGUZMJRYUGJK-LCJWNIEWSA-N 472.379 5.890 50 10 JKGE N#C/C(C(=O)c1ccccc1)=C1\S[C@H](Cc2ccc(Br)cc2)C(=O)N1c1ccccc1 102667440 CHLRUSZPGBCUEZ-FNBPXTNNSA-N 489.394 5.758 50 10 JKGE C[C@@H](Cl)c1nc2cc(Br)ccc2n1-c1cc(Br)ccc1Br 110428369 CWNIEKAZNQBUQG-MRVPVSSYSA-N 493.424 6.613 50 10 JKGE C[C@@H](CCBr)CCOc1c(I)cc(Cl)c2cccnc12 116049232 MKLIZTFGKIQGKM-JTQLQIEISA-N 468.560 5.683 50 10 JKGE COc1cc(Br)c([C@@H](Br)c2cc(C)c(Br)s2)cc1OC 123416798 RLIOBSHCXNHGPB-CYBMUJFWSA-N 485.035 6.083 50 10 JKGE CC(C)CC1([C@@H](Br)c2cc(Br)sc2Br)CCCC1 126350982 BXKUVMVBWIFQHT-LBPRGKRZSA-N 459.085 7.316 50 10 JKGE CCn1c(=O)oc2cc([C@H](Cl)c3cc(Br)c(Br)s3)ccc21 128558872 CODJVSGMEOLZCO-LBPRGKRZSA-N 451.567 5.529 50 10 JKGE Cc1cc(Br)c([C@@H](Br)Cc2ccc(F)cc2F)cc1Br 128818526 BEHFFTZISBCUQJ-AWEZNQCLSA-N 468.961 6.477 50 10 JKGE Cc1cccc(-n2c([C@H](C)Cl)nc3cc(I)ccc32)c1Br 131965679 ROEREZOJLGXMMO-JTQLQIEISA-N 475.555 6.001 50 10 JKGE Cc1ccc(Br)c([C@@H](Br)c2ccc(Br)c3ccccc23)c1 161771237 IQGNCLIDVKOKJY-SFHVURJKSA-N 469.014 7.158 50 10 JKGE CCOc1cc(/C=N\NC(=O)c2cccc(N)c2)ccc1OCc1ccc(Cl)c(Cl)c1 169894125 DKHNJPGWQJIAMN-WKIKZPBSSA-N 458.345 5.317 50 10 JKGE C[C@@H](Br)[C@](Br)(CBr)C(=O)Oc1ccc(Cl)cc1Cl 205782497 GDXBXROBZFOHBW-KSBSHMNSSA-N 483.809 5.211 50 10 JKGE COc1ccc([C@H](Cl)c2ccccc2I)c(OC)c1Br 224827378 OBARYKCEAOACII-CQSZACIVSA-N 467.528 5.399 50 10 JKGE COc1cc(F)c(Br)cc1[C@@H](Br)c1ccc(Br)s1 234864447 CJOZJYMMRUVCFN-GFCCVEGCSA-N 458.972 5.905 50 10 JKGE Cc1ccc(S(=O)(=O)Nc2ccc(C(=O)NN=Cc3c4ccccc4cc4ccccc34)cc2)cc1 254757546 XBZTXHRBBHUUTR-UHFFFAOYSA-N 493.588 5.866 50 10 JKGE CCCCCCCCCC(=O)NN=Cc1ccc(OC(=O)c2ccc(OCCC)cc2)c(OC)c1 263622136 KGHLZLKMATYVDE-UHFFFAOYSA-N 482.621 6.294 50 10 JKGE CN(c1ccc(CBr)c(Br)c1)[C@H]1CCCN(Cc2ccccc2)C1 388395790 KOPQTZUZIUXNMY-IBGZPJMESA-N 452.234 5.445 50 10 JKGE 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 503938991 XJMCXAZKIBJUJN-YXPAYUANSA-N 473.806 6.462 50 10 JKGE N#CSc1ccc(NC(=O)c2ccc(NC(=O)N(Cc3ccccc3)c3ccccc3)cc2)cc1 586666602 NVKKAWBMOCIOMD-UHFFFAOYSA-N 478.577 6.751 50 10 JKGE Cc1cc(C)nc(COc2c(Br)cc(CBr)cc2Br)n1 700452406 YXVFFGMSYORUTM-UHFFFAOYSA-N 464.983 5.092 50 10 JKGE ClCc1cc(Br)c(OCc2ccncc2Br)c(Br)c1 702843094 GKIDURIWJGJOHL-UHFFFAOYSA-N 470.386 5.687 50 10 JKGE O=C(N[C@H]1c2ccccc2C[C@@H]1Br)c1scc(Br)c1Br 707803973 BRGGHMOZJOTULT-CABZTGNLSA-N 480.019 5.064 50 10 JKGE CN(Cc1ccccc1)C1CCN(c2ccc(CBr)cc2Br)CC1 717562606 LGWPJBJJEFWJGV-UHFFFAOYSA-N 452.234 5.445 50 10 JKGE O=C(c1scc(Br)c1Br)N1CC[C@H]2CC[C@H](Br)[C@H]1C2 721521376 JMNFCLFCXQQHMO-KHQFGBGNSA-N 472.040 5.051 50 10 JKGE Fc1cc(Cl)c([C@H](Cl)c2ccc(I)c(Br)c2)cc1F 721600578 CMZSYKAQNHAHHI-CYBMUJFWSA-N 477.901 6.314 50 10 JKGE CC(C)(C)OC(=O)N1C[C@H](c2cc(C(F)(F)F)ccc2Cl)[C@@H](CI)C1 725423229 IQSDSQFYPCUUQS-GWCFXTLKSA-N 489.703 5.744 50 10 JKGE CCCCCCCCCCOc1ccc(C(=O)NN=Cc2c(OC)ccc3ccccc23)cc1 1084227963 IOPNOXJLIZKSQI-UHFFFAOYSA-N 460.618 7.132 50 10 JKGE CCOc1cc(/C=C(/C#N)C(=O)Nc2cc(Cl)ccc2Cl)ccc1OC(=O)c1ccc(C)cc1 1084241022 FCQXZZNMBATQAZ-UNOMPAQXSA-N 495.362 6.465 50 10 JKGE CCCCCOc1ccccc1C(=O)NN=Cc1ccc(OS(=O)(=O)c2ccc(C)cc2)cc1 1084363561 XTLIAWURRDNHHU-UHFFFAOYSA-N 480.586 5.096 50 10 JKGE 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 1085230508 XDHSPKUJYNEBHS-WDISLLHISA-N 481.471 5.308 50 10 JKGE N#CC1=NN(c2ccccc2)[C@@H](c2ccccc2)C2=C1OC(N)=C(C#N)[C@H]2c1ccc(Cl)cc1 1088661213 CRHMSTKONUBSTK-NOZRDPDXSA-N 463.928 5.543 50 10 JKGE O=C(OCc1ccccc1)N1C[C@@H](CBr)[C@@H](c2ccc(Br)cc2[N+](=O)[O-])C1 1614692496 KKAMGTOPMXIFJD-PBHICJAKSA-N 498.171 5.104 50 10 JKGE Cc1c(C(=O)NCc2ccco2)oc2c1C(=NNC(=O)C(c1ccccc1)c1ccccc1)CCC2 1772748025 HREQOIYHHCZMIL-UHFFFAOYSA-N 481.552 5.100 50 10 JKGE Cc1c(C(=O)Nc2ccc(C(C)C)cc2)oc2c1C(=NNC(=O)c1cccc3ccccc13)CCC2 1772749212 YEYFKWDBZOACGU-UHFFFAOYSA-N 479.580 6.587 50 10 JKGE Cc1ccccc1COc1ccc2ccccc2c1C=NNC(=O)CSc1nc2ccccc2s1 1772760582 WULBCPWNRSWMMM-UHFFFAOYSA-N 497.645 6.579 50 10 JKGE COc1ccc(-c2nc3ccc(C(=O)Nc4ccc(SC#N)cc4)cc3[nH]2)cc1OCC(C)C 1861859091 IMXHJZHIPYHYET-UHFFFAOYSA-N 472.570 6.099 50 10 JKGE CCCc1nn(Cc2ccc(F)cc2)c2c1[C@@H](c1ccc(Cl)c(Cl)c1)C(C#N)=C(N)O2 1865685274 HMPNBUKMDOMPBE-FQEVSTJZSA-N 457.336 5.548 50 10 JKGE COc1ccc(-c2nn(Cc3ccccc3Cl)c3c2[C@H](c2cc(C)ccc2O)C(C#N)=C(N)O3)cc1 1865687057 IIRUWRJRYMQCSK-XMMPIXPASA-N 498.970 5.493 50 10 JKGE COc1ccc(-c2nn(Cc3ccc(Cl)cc3)c3c2[C@H](c2sccc2C)C(C#N)=C(N)O3)cc1 1865698915 GBIBLRPGDQANSO-OAQYLSRUSA-N 489.000 5.849 50 10 JKGE Cc1ccc(-c2ccc(C(=O)NNC(=O)CCCOc3ccc(Cl)cc3Cl)c(C)n2)cc1 1865757900 ZRIACBNZGKSOOA-UHFFFAOYSA-N 472.372 5.292 50 10 JKGE CCOc1cc(NC(=O)c2ccccc2)c(OCC)cc1NC(=O)/C(C#N)=C/c1ccc(OC)cc1 1866126669 HHTFXTXJUKTIMH-RCCKNPSSSA-N 485.540 5.291 50 10 JKGE N#CSc1ccc(NC(=O)[C@H](NC(=O)CCCC(=O)c2cccs2)c2ccccc2)cc1 1866791357 BYHDSGCJQFGIFF-HSZRJFAPSA-N 463.584 5.170 50 10 JKGE CCOC(=O)Oc1ccc(/C(O)=C(\C#N)c2nc(-c3ccc(Cl)cc3Cl)cs2)cc1 1872744680 CSHKLWAYPIZQSI-MNDPQUGUSA-N 461.326 6.602 50 10 JKGE CCCCc1ccc(-c2csc(/C(C#N)=C(\O)c3cc([N+](=O)[O-])cc([N+](=O)[O-])c3)n2)cc1 1872744720 FQLOYKVWQSQQES-VZCXRCSSSA-N 450.476 5.919 50 10 JKGE CSCC[C@H](/C(O)=C(\C#N)c1nc(-c2ccc(F)c(F)c2)cs1)N1C(=O)c2ccccc2C1=O 1872751865 XPQVEASOBIGYIZ-JSZIULHXSA-N 497.548 5.299 50 10 JKGE CCCCOc1ccc(/C(O)=C(\C#N)c2nc(-c3ccc(C(C)C)cc3)cs2)cc1OCC 1872751913 HIBSJNFXJQTIOX-ROMGYVFFSA-N 462.615 7.461 50 10 JKGE Cc1ccc(OCCC/C(O)=C(\C#N)c2nc(-c3ccc(Oc4ccccc4)cc3)cs2)cc1 1872753769 LYSSTBOKUJPPKB-RFBIWTDZSA-N 468.578 7.563 50 10 JKGE CCOc1ccc(-c2csc(/C(C#N)=C(\O)CCCOc3c(C)cccc3C)n2)c(OCC)c1 1872755316 IDOUPYXYMOPYIJ-GYHWCHFESA-N 478.614 6.876 50 10 JKGE CCCOc1ccc(C/C(O)=C(\C#N)c2nc(-c3ccc(OC)c(OC)c3OC)cs2)cc1 1872759183 GRNZMAZWBCEATB-VZCXRCSSSA-N 466.559 5.660 50 10 JKGE COc1ccc(-c2csc(/C(C#N)=C(O)/C=C/c3cccc(Cl)c3)n2)c(OC)c1OC 1872759544 RSAXQTUCZLVGPS-CFBNHCQBSA-N 454.935 5.995 50 10 JKGE CCCOc1ccc(-c2csc(/C(C#N)=C(\O)c3cc4ccccc4oc3=O)n2)cc1OCCC 1872818115 NJZJMXFCPJQDAA-QQTULTPQSA-N 488.565 6.444 50 10 JKGE CCc1cccc(CC)c1N1C[C@H](/C(O)=C(\C#N)c2nc(-c3ccc(F)cc3F)cs2)CC1=O 1872818156 PARBKNVLEVEJOL-BOLJVCIBSA-N 479.552 6.059 50 10 JKGE CC1(C)COc2c([C@H](Br)[C@H]3C[C@@H](Br)C3)cc(Br)cc21 1887751928 MESNTJOMPLWFKZ-VYUIOLGVSA-N 453.012 5.729 50 10 JKGE C[C@@H]1C[C@H](Br)[C@@H](Cc2ccc(I)c(Br)c2)C1 1904330810 YUXWEOITAYVPGS-GDPRMGEGSA-N 457.975 5.406 50 10 JKGE O=C(COc1ccc(Cl)cc1Cl)N(Cc1ccccc1)[C@@H](CBr)C1CC1 1915263672 ODQHWLUIOUTPFB-SFHVURJKSA-N 457.195 5.575 50 10 JKGE Cc1cc([C@@H](Br)c2cc(Br)c3c(c2)CCO3)oc1Br 1917617181 MUMVWVYAOMSLNQ-LBPRGKRZSA-N 450.952 5.532 50 10 JKGE CCCc1ccccc1[C@@H](Br)c1sc(Br)cc1Br 1922882882 IDLVKZDMGABBPO-CYBMUJFWSA-N 453.037 6.710 50 10 JKGE Brc1cc(Br)c([C@H](Br)c2csc3c2CCCC3)s1 1922897877 QIMVLLFDKRMECH-GFCCVEGCSA-N 471.077 6.698 50 10 JKGE Fc1cc(F)c([C@@H](Cl)c2c(Br)sc(Br)c2Cl)c(F)c1 1923066529 QUBULBQNRFFPQD-MRVPVSSYSA-N 454.920 6.672 50 10 JKGE C[C@@H]1C[C@@H]([C@H](Br)c2c(Br)sc(Br)c2Cl)CO1 1923067489 DDAGILIOOLJZLW-XAHCXIQSSA-N 453.421 5.788 50 10 JKGE FC1(F)[C@H]([C@H](Br)c2c(Br)sc(Br)c2Cl)C12CCC2 1923067634 GNDOQYVKSYAMOK-IYSWYEEDSA-N 485.413 6.798 50 10 JKGE Clc1c(Br)sc(Br)c1[C@@H](Br)C1CC2(CCCO2)C1 1923074955 USEZSFFTAYGJFD-XMDDQKSNSA-N 479.459 6.322 50 10 JKGE C[C@H](c1ccncc1Br)[C@H](Br)c1cc(Cl)cc(Br)c1 1924041023 STSFYUCCLGMSRS-CLAHSXSESA-N 468.414 6.500 50 10 JKGE Fc1cc([C@@H](Br)c2c(Cl)sc(Br)c2Cl)c(F)cc1Cl 1925587634 ACUYRCXAAGELFK-MRVPVSSYSA-N 471.375 7.233 50 10 JKGE Brc1ccsc1[C@@H](Br)c1cc(Br)c2c(c1)CCO2 2030024031 ZEQIRJPFSZNUJX-NSHDSACASA-N 452.993 5.692 50 10 JKGE CC1(C)C2CCC1([C@H](Br)c1cc(Br)c(Br)s1)CC2 2033434200 AZGYZQPDTOODIQ-IYXOAMITSA-N 457.069 6.926 50 10 JKGE CCOc1ccc([C@H](Br)c2cscc2OCc2ccccc2)cc1Br 2038686853 UIFXSQWJWFUQMD-FQEVSTJZSA-N 482.237 6.973 50 10 JKGE C[C@@H]1CCN(Cc2ccccc2)CCN1c1cc(Br)cc(F)c1CBr 2051131643 OGPAOUQNSVSNLU-OAHLLOKOSA-N 470.224 5.584 50 10 JKGE CC[C@H](C)N(Cc1ccccc1)S(=O)(=O)c1cc(Cl)cc(CBr)c1Cl 2059315243 XGJIPTPIIHQLOL-ZDUSSCGKSA-N 465.240 5.878 50 10 JKGE COC[C@@H]1CC[C@@H]([C@H](Br)c2sc(Br)c(C)c2Br)C1 2061292681 LNVLKKVTCSJIBT-KKZNHRDASA-N 461.057 6.080 50 10 JKGE FC(F)(F)c1ccc(-n2nc(CBr)c(Br)c2C(F)(F)F)cc1 2079230117 NBQSEMXMWAJOKZ-UHFFFAOYSA-N 451.990 5.567 50 10 JKGE BrCC(CBr)(Cc1cc(Br)sn1)C1CCCCC1 2084076992 KSNDKLIXAQBBIU-UHFFFAOYSA-N 460.073 5.805 50 10 JKGE C[C@H]1Cc2cc([C@H](Br)c3ccc(Br)o3)cc(Br)c2O1 2090467479 OAXJGZWGEXELNA-CPFSXVBKSA-N 450.952 5.612 50 10 JKGE COc1sc([C@@H](Br)Cc2ccc(Br)cc2F)cc1Br 2095771720 CRPHATKETCIVRM-VIFPVBQESA-N 472.999 6.100 50 10 JKGE Cn1nc(COc2cccc(Br)c2CBr)c(Br)c1Cl 2096683525 KUQCHLCEEOGBOP-UHFFFAOYSA-N 473.390 5.072 50 10 JKGE Clc1ccc(I)c(C[C@@]2(CBr)CC23CCCCC3)c1 2100462949 LUMGFEGINZHLIQ-INIZCTEOSA-N 453.589 6.223 50 10 JKGE CN(Cc1c(Br)cccc1Br)[C@H]1CCCCC[C@@H]1Br 2115915201 PYSHJOIMQCPKIF-GJZGRUSLSA-N 454.044 5.740 50 10 JKGE Brc1ccc(Br)c(CN2CC[C@@H]3C[C@H](Br)CC[C@@H]32)c1 2118524082 FPCJUPOJNQSIRB-YVLXSGLVSA-N 452.028 5.350 50 10 JKGE CCC(C)(C)c1ccc([C@@H](Br)c2cc(I)sn2)cc1 2120031172 GTZXPQFAZOSVLO-CQSZACIVSA-N 450.183 5.920 50 10 JKGE CC(F)(F)C1(COc2c(Br)cc(Br)cc2CBr)CC1 2134775025 FYBUVEFFZKTIQE-UHFFFAOYSA-N 462.954 5.921 50 10 JKGE COc1cc(Cl)c([C@H](Br)c2cn(C)nc2Br)cc1Br 2137636260 CLJQJMPZBRKHFJ-NSHDSACASA-N 473.390 5.091 50 10 JKGE Cc1c(F)ccc([C@@H](Cl)c2ccc(I)c(Br)c2)c1C 2138908281 DZECMJUHIQXMCM-HNNXBMFYSA-N 453.520 6.138 50 10 JKGE Brc1ccccc1C[C@@H](Br)c1cc(Br)c2c(c1)CCO2 2146624608 CLNQOISCMVMILE-CQSZACIVSA-N 460.991 5.825 50 10 JKGE Cc1cc(Br)c([C@H](Br)[C@H]2CCn3ccnc3C2)cc1Br 2165269253 XYPXTKJSBPLRPU-ZUZCIYMTSA-N 463.011 5.415 50 10 JKGE CCc1ccc(CBr)cc1S(=O)(=O)N(CCC(F)(F)F)Cc1ccccc1 2179861745 LYARZBSRMQWNAL-UHFFFAOYSA-N 464.347 5.287 50 10 JKGE CC(C)(C)CC1CC(O[C@H](CI)c2ccc(Br)cc2)C1 2188307564 LPQLHRXDWRTBCE-VDSRIPIWSA-N 451.186 6.157 50 10 JKGE Brc1ccc([C@H](CI)O[C@@H]2CCOC3(CCC3)C2)cc1 2197366093 DIDWKSARVDMROF-CABCVRRESA-N 451.142 5.044 50 10 JKGE Cc1cc(Br)c(C)c([C@@H](Br)[C@H]2[C@H]3CCCCC[C@H]32)c1Br 2201077249 IZJAVKDTOVWQQO-DJZPMSPPSA-N 465.067 7.091 50 10 JKGE CC[C@H]1CC[C@@H](CC(CBr)(CBr)c2ccc(Br)cc2)O1 2201410455 GKWJUXQDWFHYIL-GJZGRUSLSA-N 469.055 5.824 50 10 JKGE Fc1cc(Br)c([C@@H](Cl)c2ccc(Cl)c(Br)c2)c(F)c1Cl 2201610645 IXGAQTJYXNCWDI-NSHDSACASA-N 465.346 7.125 50 10 JKGE COc1cc(F)c([C@H](Cl)c2ccc(Br)cc2Br)cc1Br 2202902308 OSMRWFLDVBBYPA-CQSZACIVSA-N 487.388 6.450 50 10 JKGE Cc1c(Br)ccc([C@H](Br)[C@@H]2CCCCC23CCC3)c1Br 2203700046 AWQPOJPTWFVJII-BBRMVZONSA-N 465.067 7.317 50 10 JKGE COc1c(Br)cc(C)cc1[C@@H](Br)c1cc(Br)ccc1F 2203829812 LTFJDBZXNSTPAJ-AWEZNQCLSA-N 466.970 6.152 50 10 JKGE Cc1cc(Br)c([C@H](Br)c2sc(Br)c(C)c2C)s1 2215942712 BVSQPCFLADEULK-SECBINFHSA-N 459.066 6.744 50 10 JKGE CC(C)N1C[C@H](Cl)[C@@H](c2sc(Br)c(Br)c2Br)C1 2216390646 CSAYETFQEYBEIG-BQBZGAKWSA-N 466.464 5.451 50 10 JKGE Cc1c(Br)sc([C@H](Br)c2ccc(Br)c(Cl)c2)c1C 2218790180 KTGSJEDCCAPURX-LLVKDONJSA-N 473.455 7.028 50 10 JKGE Cn1ncc([C@@H](Br)Cc2cc(Cl)cc(Cl)c2)c1I 2224003975 NHYDERPWXSMHMS-NSHDSACASA-N 459.940 5.010 50 10 JKGE CCN(C[C@](C)(CI)O[C@](C)(CC)CCCC(C)C)C(=O)OC(C)(C)C 2226055957 DCNDCBFIYCBBLX-RTWAWAEBSA-N 483.475 6.449 50 10 JKGE COc1c(C(C)C)cc(Br)cc1[C@@H](Cl)c1cc(I)sn1 2233153025 KXXVFKUSWPTBIY-CYBMUJFWSA-N 486.600 5.970 50 10 JKGE Cc1c(Br)ccc([C@@H](Br)[C@@H]2C[C@H]3CCC[C@H](C3)C2)c1Br 2233655764 KFMZENFHPJUOAS-ZBYUQBLASA-N 465.067 7.172 50 10 JKGE O=C(c1scc(Br)c1Br)N1CC[C@@H]2[C@@H](Br)CCC[C@@H]2C1 2233744792 CNBMLAKTWMQOLQ-UTLUCORTSA-N 486.067 5.299 50 10 JKGE COc1cc([C@@H](Cl)c2cc(Br)c(Br)cc2F)ccc1Br 2233974298 DRQCKVMNLFBQKV-CQSZACIVSA-N 487.388 6.450 50 10 JKGE CC(C)(C1CCCCC1)[C@H](Br)c1cc(Br)c(Br)cc1F 2233974559 FWQXKTBELHPWJZ-OAHLLOKOSA-N 471.046 7.393 50 10 JKGE COC1(C[C@H](Br)c2c(Br)cc(C)c(Br)c2C)CCCC1 2235601867 BMJDSBDRTQAILX-ZDUSSCGKSA-N 469.055 6.614 50 10 JKGE Cc1cc(Br)c([C@H](Br)[C@@H]2C[C@@H]3C[C@@H]3C[C@H]2C)c(C)c1Br 2235615321 QFBINHOKLZFQTR-VWWKDTBZSA-N 465.067 6.947 50 10 JKGE Fc1ccc(Br)cc1[C@H](Br)c1c(F)cc(F)c(Br)c1F 2236111494 VJNHRAYZKSBIIB-NSHDSACASA-N 476.887 6.252 50 10 JKGE Cl[C@@H](Cc1ccccc1I)c1ccc2c(c1Br)CCO2 2238074137 OHKUWYAMRPBZOJ-ZDUSSCGKSA-N 463.540 5.511 50 10 JKGE Brc1cccc([C@@H](Br)c2ccc([C@@H]3CCOC3)s2)c1Br 2240435000 VOAUTFWHEYOQON-RFAUZJTJSA-N 481.047 6.261 50 10 JKGE COc1cc(Cl)c(Cl)cc1[C@H](Br)c1cc(I)sn1 2253420876 ZFUUPOATDNOOHV-NSHDSACASA-N 478.964 5.547 50 10 JKGE COc1cc(Cl)c(Cl)cc1[C@H](Br)c1cscc1OCc1ccccc1 2253423638 QYMDPHIEGIYDGO-IBGZPJMESA-N 458.204 7.127 50 10 JKGE Cc1sc(Br)cc1[C@H](Cl)Cc1cc(Br)cc(Br)c1 2263450573 NJALIZPEKRDAKV-GFCCVEGCSA-N 473.455 6.867 50 10 JKGE Fc1cc(Br)c(F)c(Br)c1[C@@H](Br)COCC(F)(F)F 2272740178 PRTFGZZYOSRXHE-YFKPBYRVSA-N 476.859 5.505 50 10 JKGE Cc1c(Br)sc([C@@H](Br)Cc2ccc(Cl)c(F)c2)c1Br 2277902564 HXJXXXFIOLANRW-QMMMGPOBSA-N 491.445 7.053 50 10 JKGE FC(F)C1CC(C[C@@H](Br)Cc2cc(Br)cc(Br)c2)C1 2277964358 DYCDXEHVBKGBHY-BOBPJJCASA-N 460.982 6.199 50 10 JKGE CN(Cc1ccccc1I)c1cc(Br)cc(F)c1CCl 2280262654 BKHGJSYNCCKLSZ-UHFFFAOYSA-N 468.535 5.568 50 10 JKGE COc1ccc([C@@H](Br)Cc2ccc(Cl)c(Cl)c2)cc1I 2285004969 DEYYPRPKAAJNFH-NSHDSACASA-N 485.974 6.285 50 10 JKGE Cc1ccc(N2C(=O)[C@H](Cc3ccc(Cl)cc3)SC2=C(C#N)C(=O)Nc2ccccc2)cc1 2293038902 GESKCNIVNAMZBF-QHCPKHFHSA-N 473.985 5.713 50 10 JKGE Cc1ccc(NC(=O)C(C#N)=Cc2ccc(OC(=O)c3ccc(Br)cc3)cc2)cc1 2295172662 UPHZUELPGCQPNJ-UHFFFAOYSA-N 461.315 5.522 50 10 JKGE Clc1ccc(Br)cc1CO[C@H](CBr)c1cccc(Br)c1 2295175032 HPNIORJCPSLRJF-OAHLLOKOSA-N 483.425 6.518 50 10 JKGE CCOC(=O)c1cc(C(C)C)sc1NC(=O)C(C#N)=Cc1ccc2c(c1)c1ccccc1n2CC 2295672624 CJAQABLHQBWDPL-UHFFFAOYSA-N 485.609 6.722 50 10 JKGE N#CC(C(=O)Nc1cccc(Cl)c1)=C1S[C@@H](Cc2ccccc2Cl)C(=O)N1c1ccccc1 2296500313 FFKSIZPNNCLPDU-QFIPXVFZSA-N 494.403 6.058 50 10 JKGE C[S@](=O)(=NC=C(C#N)C(=O)c1ccccc1)c1ccc(OC(=O)c2ccc(Cl)cc2)cc1 2297564424 VGCMVZYDLIQUAJ-JGCGQSQUSA-N 464.930 5.306 50 10 JKGE Cc1sc(C(=O)N[C@@H](CCBr)COCc2ccccc2)c(C)c1Br 2303551499 ZRHZMGSTYBKFIG-HNNXBMFYSA-N 475.246 5.228 50 10 JKGE CCc1cc(Br)c([C@H](Br)c2csc(C)c2Br)s1 2303633720 HYYUEXNCWDUOEK-LLVKDONJSA-N 459.066 6.690 50 10 JKGE Cc1sc(-n2c(C)cc(C=C(C#N)C(=O)NCCc3c[nH]c4ccccc34)c2C)c(C#N)c1C 2313556251 STAFGSWDAPOSEZ-UHFFFAOYSA-N 467.598 5.391 50 10 JKGE Cc1ccc(NC(=O)C(C#N)=Cc2cc(Cl)ccc2OCc2ccc(Br)cc2)cc1 2313630455 ACYJKOMPBKETEL-UHFFFAOYSA-N 481.777 6.536 50 10 JKGE CCCOc1ccc(Br)cc1C=C(C#N)C(=O)Nc1ccc(Cl)c(Cl)c1 2313630658 DASQTYQZIPDBDV-UHFFFAOYSA-N 454.151 6.090 50 10 JKGE Cc1ccc([C@H](Br)c2cc(Br)ccc2OCc2ccccc2)cc1F 2314448301 GSFSXFKWIZDRPB-NRFANRHFSA-N 464.172 6.960 50 10 JKGE C[C@]1(C(F)(F)F)C[C@H]1[C@H](Br)c1ccc(OCc2ccccc2)cc1Br 2314497218 IVEZNWAAZJZWGH-JQHSSLGASA-N 478.146 7.053 50 10 JKGE Cc1cccc(C[C@H](Br)c2cc(Br)ccc2OCc2ccccc2)c1 2314503068 OSJHXQWRJIVUAU-NRFANRHFSA-N 460.209 7.015 50 10 JKGE CCOc1ccccc1[C@@H]1C(C#N)=C(N)Oc2cc(OC(=O)C=Cc3ccc(C(C)(C)C)cc3)ccc21 2314634092 LDXBBFJNBIBWJS-LJAQVGFWSA-N 494.591 6.220 50 10 JKGE CC(F)(F)CC[C@@H](Br)c1c(Cl)cc(Br)c(F)c1Br 2315439573 GUAFVGQYPROTNV-RXMQYKEDSA-N 473.352 6.876 50 10 JKGE CCC[C@@H]1C[C@@H]1[C@H](Br)c1c(Cl)cc(Br)c(F)c1Br 2315447844 SPHXJHFHLNLGCG-BUYFANAVSA-N 463.410 6.876 50 10 JKGE CC1(C)C2CCC1([C@@H](Br)c1sc(Cl)cc1I)CC2 2316777597 OPDMLGTXYNNRRP-ZAQGZADTSA-N 459.618 6.659 50 10 JKGE Cn1nc(Br)c(Br)c1[C@@H](Br)Cc1ccccc1Cl 2316833422 AMMYTQBKRHJDNU-QMMMGPOBSA-N 457.391 5.277 50 10 JKGE Cc1c(Br)sc([C@H](Cl)c2ccc(Cl)cc2I)c1C 2317775113 UWCOAPUDSABLSK-LLVKDONJSA-N 476.004 6.714 50 10 JKGE COc1ccc(C(C#N)=Cc2ccc(OC(=O)c3ccccc3Br)c(OC)c2)cc1OC 2320506403 ISZRDKDQCRROGQ-UHFFFAOYSA-N 494.341 5.758 50 10 JKGE CC(C)C[C@@H](CBr)COCc1cc(I)ccc1Br 2328549202 SJLGMUVAISEEGU-NSHDSACASA-N 490.017 5.628 50 10 JKGE COc1cc(-c2csc(C(C#N)=C(O)c3ccc(-c4ccccc4)cc3)n2)c(OC)cc1Cl 2331377200 WJYSXFQJNYCKNW-UHFFFAOYSA-N 474.969 7.098 50 10 JKGE COc1cc(OC)c(-c2csc(C(C#N)=C(O)COc3ccc(Cl)cc3)n2)cc1Cl 2331378670 OJPRLRZPRRDORD-UHFFFAOYSA-N 463.342 6.006 50 10 JKGE Brc1cc(OCc2ccccc2)ccc1[C@H](Br)[C@@H]1CCn2ccnc2C1 2336080486 ZJKATVRYKOZXKV-IIBYNOLFSA-N 476.212 5.923 50 10 JKGE CC(C)(CBr)[C@@H]1CCCN1Cc1ccc(Cl)c(I)c1 2337228168 UFCBYHYJGRPFBZ-AWEZNQCLSA-N 456.593 5.330 50 10 JKGE Cc1ccc([C@H](Br)c2c(Br)nc(C)n2C)c(C)c1Br 2337320739 CEHKJLVIVKQJNL-LBPRGKRZSA-N 451.000 5.355 50 10 JKGE ClCC(CCl)(Cc1sccc1I)c1ccc(Br)cc1 2338751052 YNELXBFSAOLZOF-UHFFFAOYSA-N 490.031 6.073 50 10 JKGE FC(F)Oc1ccccc1[C@H](Br)c1sc(Cl)cc1I 2338773092 KDYRNYALKCLEQF-JTQLQIEISA-N 479.511 6.092 50 10 JKGE Cc1cc(Br)c(C(C)C)cc1[C@@H](Cl)c1csc(I)c1 2352791024 SBXFQKXHZWWWMH-HNNXBMFYSA-N 469.613 6.875 50 10 JKGE Clc1ccc(I)c(CN2[C@@H](CBr)C[C@H]3CCCC[C@H]32)c1 2358953972 WCEGNDZURGWSOC-DJSGYFEHSA-N 468.604 5.473 50 10 JKGE CC(C)CO[C@@H]1[C@H](Br)C[C@H]1OCc1cc(Br)cc(Br)c1 2362241531 XRGYWFHYRFKUFY-RBSFLKMASA-N 471.027 5.305 50 10 JKGE Cc1ccc(C[C@@H](CBr)Cc2ccc(Cl)c(I)c2)cc1 2362375513 KTOSYXRJIBMXEV-OAHLLOKOSA-N 463.584 6.049 50 10 JKGE COc1cc(C)c(Br)cc1[C@H](Br)c1c(Br)nc(C)n1C 2362440399 LWUVVLPMDJZFOE-LBPRGKRZSA-N 466.999 5.055 50 10 JKGE COc1c(Br)cc(C)c([C@@H](Br)[C@@H]2[C@H]3[C@H]4C[C@@H]2C[C@H]43)c1Br 2365217058 AGXJZPFQGUHFTL-XUWVTQKSSA-N 465.023 5.867 50 10 JKGE Cc1cc(Br)c(F)c(Br)c1[C@H](Br)[C@@H]1C(F)(F)C12CCC2 2365218011 ABHGWSMJJMQHIK-JQWIXIFHSA-N 476.956 6.531 50 10 JKGE COc1c(Br)cc(C)c([C@@H](Br)CC(C)(C)C2CC2)c1Br 2365237042 RMSWVYHXCICOFT-LBPRGKRZSA-N 469.055 6.791 50 10 JKGE COc1cc(Br)c([C@H](Br)c2csc(C)c2Br)cc1OC 2369593166 CVTHBYYUYWHFEY-AWEZNQCLSA-N 485.035 6.083 50 10 JKGE COc1c(F)cc([C@H](Br)c2c(F)cccc2I)cc1F 2370445139 MATNEJOSGAWYNB-ZDUSSCGKSA-N 457.027 5.201 50 10 JKGE Cc1ccccc1C[C@H]1S/C(=C(\C#N)C(=O)Nc2ccccc2)N(c2ccc(F)cc2)C1=O 1889081 DQIJHBIGHDDAGB-QPQMVVSWSA-N 457.530 5.199 50 10 JKGE COc1cc(/C=C(\C#N)C(=O)Nc2cccc3ncccc23)ccc1OCC(=O)Nc1ccc(C)cc1 3309055 DASVCZHPHITWCQ-RCCKNPSSSA-N 492.535 5.115 50 10 JKGE CCCCC/C(=N\NC(=O)c1ccc(OC)c(I)c1)c1ccccc1 12573945 AULNJLWDKRPSIP-RELWKKBWSA-N 450.320 5.014 50 10 JKGE Cc1ccc(C)c(N/C(SCc2ccccc2Cl)=C(/C#N)S(=O)(=O)c2ccccc2)c1 20325697 OHJCZDRVELZHBQ-WCWDXBQESA-N 469.031 6.469 50 10 JKGE Cc1ccc(NC(=O)/C(C#N)=C\c2cc(Br)ccc2OCCOc2ccc(C)cc2)cc1 33411266 GEBRFVRPKBLDTR-QNGOZBTKSA-N 491.385 6.069 50 10 JKGE Cc1ccc(Cl)cc1NC(=O)/C(C#N)=C\c1ccc(OCc2cccc(C(=O)O)c2)c(Cl)c1 33507389 WZGVSJKSUNTSBL-OCKHKDLRSA-N 481.335 6.125 50 10 JKGE Cc1ccc(NC(=O)/C(C#N)=C\c2cc(Cl)cc(Cl)c2OCCOc2ccc(C)cc2)cc1 33696740 DYWORNIKYQBFDG-MOSHPQCFSA-N 481.379 6.614 50 10 JKGE Cc1ccc(C[C@@H]2S/C(=C(\C#N)C(=O)Nc3ccccn3)N(c3ccccc3)C2=O)cc1Cl 33756696 DBXWYVGNEXQJFE-ARCUFYBBSA-N 474.973 5.108 50 10 JKGE C=CCNC(=O)/C(C#N)=C/c1cn(-c2ccccc2)nc1-c1cccc(OCc2ccccc2)c1 35445984 ZKZLNCJKYNXWFF-JJIBRWJFSA-N 460.537 5.327 50 10 JKGE CCCCOc1ccccc1[C@@H]1C(C#N)=C(N)Oc2cc(OC(=O)c3cccc(Cl)c3)ccc21 38683052 DMLCCVGQFQPIOP-VWLOTQADSA-N 474.944 5.956 50 10 JKGE CCCCCOc1ccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4ccco4)ccc32)cc1OCC 38684320 QDYWAEFUYZFJDM-AREMUKBSSA-N 488.540 5.685 50 10 JKGE CCCOc1ccccc1[C@H]1C(C#N)=C(N)Oc2cc(OC(=O)c3oc4cc(C)ccc4c3C)ccc21 38700640 XEAGLYGITUIATB-HHHXNRCGSA-N 494.547 6.276 50 10 JKGE C=CCOc1cccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)C4CCC(CCCC)CC4)ccc32)c1 38701105 DAASAISPRDGGFM-JQPIXXOSSA-N 486.612 6.372 50 10 JKGE N#C/C(=C\c1ccc(-c2ccc([N+](=O)[O-])cc2Cl)o1)c1nc(-c2ccc([N+](=O)[O-])cc2)cs1 39885086 NUMXIXLVCSGYJS-NTEUORMPSA-N 478.873 6.604 50 10 JKGE Cc1c(C(=O)Oc2ccc(F)cc2)oc2c1/C(=N/NC(=O)c1ccc(-c3ccccc3)cc1)CCC2 40822859 GXFNBFYWYAMZJR-QFMPWRQOSA-N 482.511 6.084 50 10 JKGE O=C(CC[C@@H](O)c1ccccc1)N/N=C\c1cc(Cl)c(OCc2ccc(F)cc2)c(Cl)c1 58889430 LZQZSBXWTQSGGJ-MGCJZSHXSA-N 475.347 5.675 50 10 JKGE O=C(CSCc1ccccc1)N/N=C1/C(=O)N(Cc2c(Cl)cccc2Cl)c2ccccc21 59151544 WYBZUZXMZCVHHT-WEMUOSSPSA-N 484.408 5.294 50 10 JKGE CCOc1ccc(NC(=O)/C(C#N)=C\c2cc(Br)ccc2OCc2ccccc2F)cc1 59232859 YOIRUNOBHQVTSG-UYRXBGFRSA-N 495.348 6.112 50 10 JKGE Cc1ccc(NC(=O)/C(C#N)=C\c2ccc(OCc3cccc([N+](=O)[O-])c3)c(Br)c2)cc1 59335209 MSQSMGRBDDBEBO-ODLFYWEKSA-N 492.329 5.790 50 10 JKGE O=C(CCCCCNc1ccc(C(F)(F)F)cc1[N+](=O)[O-])N/N=C/c1cccc(Cl)c1O 59516488 BMWVYFGDXRJIDQ-RPPGKUMJSA-N 472.851 5.095 50 10 JKGE CCn1c2ccccc2c2cc(N/C=C(/C#N)c3nc(-c4ccc(OC)cc4)cs3)ccc21 102416927 VOAFZGRZROHQAM-MNDPQUGUSA-N 450.567 6.923 50 10 JKGE COC(=O)c1cc(OC)c(OC)cc1N/C=C(/C#N)c1nc(-c2ccc(Cl)cc2)cs1 102417974 BKTPCIKMQBVFQM-KAMYIIQDSA-N 455.923 5.244 50 10 JKGE Fc1ccc(Cl)cc1[C@H](Br)c1cc(Br)sc1Br 104032401 ATEBNPUYUOKTTJ-JTQLQIEISA-N 463.391 6.550 50 10 JKGE O=c1[nH]c2cc(Br)c([C@@H](Br)c3ccc(Br)cc3F)cc2[nH]1 109884393 WBICRZGNVAGWBJ-ZDUSSCGKSA-N 478.941 5.005 50 10 JKGE C[C@H](Cl)c1nc2ccc(Br)cc2n1-c1cc(Br)ccc1Br 115770589 GJDUSIINANQCOM-QMMMGPOBSA-N 493.424 6.613 50 10 JKGE Brc1cc([C@@H](Br)[C@H]2CCOc3ccccc32)sc1Br 128252487 JNHQYEDFRKRNLV-ZANVPECISA-N 467.020 6.275 50 10 JKGE Cc1cc(Br)cc([C@H](Br)c2cc3c(cc2Br)OCCO3)c1 131988220 LTKQULYGSDNXEP-INIZCTEOSA-N 476.990 5.776 50 10 JKGE Clc1cccc(CO[C@H](CI)c2ccc(Br)cc2)c1 162431715 OUXFFEDAFIYSDC-OAHLLOKOSA-N 451.529 5.795 50 10 JKGE CCCCC[C@@H](/C=C/[C@H]1[C@H](O[Si](C)(C)C(C)(C)C)C[C@@H]2OC(=O)C[C@@H]21)O[Si](C)(C)C(C)(C)C 195999112 BXHANKRFUJCMSW-WEDCADLRSA-N 496.881 7.855 50 10 JKGE CCCCCCOc1ccc(/C=C(/C#N)C(=O)Nc2cccc(C(=O)OCCC)c2)cc1OC 206237554 VDBBJWHRWOKRFI-JWGURIENSA-N 464.562 5.767 50 10 JKGE CCCOc1ccccc1/C=C(/C#N)C(=O)Nc1sc(C)c(-c2ccc(F)cc2)c1C(=O)OC 207232036 XRKWPHGEANMZSH-RGEXLXHISA-N 478.545 5.984 50 10 JKGE CCCCCN1C(=O)C(C#N)=C(C)/C(=C/c2ccc(OCc3ccc(F)cc3)c(OCC)c2)C1=O 214238324 HODOTGCPYHMPGN-HAHDFKILSA-N 476.548 5.586 50 10 JKGE Clc1c(Br)cccc1[C@@H](Cl)c1cc(Br)c(Br)s1 228453975 DTWVTYZBAKYSBN-SNVBAGLBSA-N 479.846 7.017 50 10 JKGE CCOc1ccc([C@H](Cl)c2cc(I)ccc2Br)cc1 233802413 GXQRZMXKGYQDSA-HNNXBMFYSA-N 451.529 5.781 50 10 JKGE CCOc1ccc([C@@H](Br)c2ccc(Cl)c(Br)c2)cc1Br 233819238 NPYACKOHQMGZJS-HNNXBMFYSA-N 483.425 6.748 50 10 JKGE Fc1c(Br)cccc1[C@H](Cl)c1cc(Br)c(Br)s1 236129185 OIAIXBVRASXIKW-VIFPVBQESA-N 463.391 6.503 50 10 JKGE O=C(/C=C/c1ccco1)Oc1cccc(C=NNC(=O)[C@@H]2CC2(c2ccccc2)c2ccccc2)c1 252593036 BIFKWSHXIGAWCG-SRWACATCSA-N 476.532 5.355 50 10 JKGE O=C(CCn1cnc(-c2ccccc2)c1-c1ccccc1)NN=Cc1c(O)ccc2ccccc12 254582456 NNWKYTIJDUECJB-UHFFFAOYSA-N 460.537 5.616 50 10 JKGE N#CC1=CN(Cc2ccccc2)C=C(C=Nn2cnc3scc(-c4ccc(Cl)cc4)c3c2=O)C1 254699814 MAVWYNBFHHVGDX-UHFFFAOYSA-N 483.984 5.810 50 10 JKGE CC(CCc1ccccc1)=NNC(=O)c1ccc(CN(c2ccc(C)c(C)c2)S(C)(=O)=O)cc1 254816767 MQNDSEODKDSYQW-UHFFFAOYSA-N 477.630 5.008 50 10 JKGE CC(C)(C)CCCC(CBr)(CBr)c1ccc(Br)cc1 302305850 NUAPZFMBEAGOAU-UHFFFAOYSA-N 455.072 6.693 50 10 JKGE C[C@H]1[C@@H](Br)C[C@H]2CC[C@H]1N2Cc1cc(Cl)ccc1I 686184130 GEVAIFHWRKBDBF-BYDSVVRCSA-N 454.577 5.081 50 10 JKGE CC(C)(C)N(CCCBr)C(=O)c1cc(Br)sc1Br 691122298 VHPKYOGESBHHEK-UHFFFAOYSA-N 462.045 5.299 50 10 JKGE COc1cc(C=NNC(=O)c2cccc(Cl)c2)ccc1Oc1ccc(C(F)(F)F)cc1[N+](=O)[O-] 1084092125 DCBTYVKQDKASNV-UHFFFAOYSA-N 493.825 5.832 50 10 JKGE Cc1cc(/C=C(\C#N)C(=O)N2CCN(c3ccccc3)CC2)c(C)n1-c1ccc(Cl)cc1Cl 1084658101 KYYKSYBZMUIPDR-RCCKNPSSSA-N 479.411 5.657 50 10 JKGE Cc1nn(-c2ccccc2)c2c1C(=NNC(=O)COc1ccc(Cl)cc1Cl)CC(C)(C)C2 1772728285 DBKDHQPYPSXEMS-UHFFFAOYSA-N 471.388 5.359 50 10 JKGE CCCCOc1ccc(NC(=O)c2oc3c(c2C)C(=NNC(=O)c2ccc(C)cc2)CCC3)cc1 1772744963 OXIOGPKLGOFUBQ-UHFFFAOYSA-N 473.573 5.798 50 10 JKGE O=C(CSc1nc2ccccc2[nH]1)NN=Cc1cccc(OCc2ccc(Cl)cc2)c1 1772760405 JNTYZAIPBCMODI-UHFFFAOYSA-N 450.951 5.038 50 10 JKGE CCCc1nn(-c2ccc(Cl)c(Cl)c2)c2c1[C@@H](c1ccc(N(C)C)cc1)C(C#N)=C(N)O2 1865683062 FDJJYWYIQALDHG-NRFANRHFSA-N 468.388 5.416 50 10 JKGE CCCc1nn(-c2ccc(Cl)c(Cl)c2)c2c1[C@H](c1cccc(OC)c1O)C(C#N)=C(N)O2 1865683799 IKXRFEDVKLRXCR-LJQANCHMSA-N 471.344 5.064 50 10 JKGE COc1ccc(-c2nn(-c3ccccc3)c3c2[C@@H](c2c(Cl)cccc2Cl)C(C#N)=C(N)O3)cc1 1865686722 YWEJWUCYEDCHLC-OAQYLSRUSA-N 489.362 6.073 50 10 JKGE CCCCCOc1ccc([C@@H]2C(C#N)=C(N)Oc3c2c(CCC)nn3Cc2ccccc2)cc1OC 1865696163 XTZWMOMQYMOMGK-AREMUKBSSA-N 486.616 5.680 50 10 JKGE N#CC1=C(N)Oc2c(c(-c3ccccc3)nn2Cc2cccc(Cl)c2)[C@@H]1c1ccc(F)cc1 1865707806 GUZAKYCFHPQTPB-JOCHJYFZSA-N 456.908 5.609 50 10 JKGE COc1ccc(-c2nn(-c3ccc(Cl)cc3)c3c2[C@H](c2ccccc2O)C(C#N)=C(N)O3)cc1 1865708022 LXJCHIPWTXYCEI-JOCHJYFZSA-N 470.916 5.125 50 10 JKGE CCCCc1ccc(-c2csc(/C(C#N)=C(\O)[C@H](C)N3C(=O)c4ccccc4C3=O)n2)cc1 1872744759 GYIKHNNUWNFSBP-FRKCRFBYSA-N 457.555 5.630 50 10 JKGE Cc1cc(-c2csc(/C(C#N)=C(\O)c3ccc4c(c3)C(=O)N(C(C)(C)C)C4=O)n2)ccc1F 1872749874 LEPQTXPPOJPACH-UZYVYHOESA-N 461.518 5.602 50 10 JKGE COc1cc(-c2csc(/C(C#N)=C(\O)c3ccc4nc(C)c(C)nc4c3)n2)c(OC)cc1Cl 1872756029 ASNIELGVVSGUGB-KQWNVCNZSA-N 478.961 5.991 50 10 JKGE COc1cc(-c2csc(/C(C#N)=C(\O)COc3ccccc3OC)n2)c(OC)cc1Cl 1872756581 QMRRAYMHLYYBNX-VKAVYKQESA-N 458.923 5.361 50 10 JKGE COc1cc(/C=C(\C#N)c2nc(-c3ccccc3Cl)cs2)ccc1OCCN1CCOCC1 1872781006 RJJVJWDKKDSXFJ-XMHGGMMESA-N 482.005 5.247 50 10 JKGE CC(C)[C@@H]1C[C@H]1[C@@H](Cl)c1c(Br)sc(Br)c1Br 1897481007 ARFRMYQKLZVOKD-CCGCGBOQSA-N 451.449 6.608 50 10 JKGE FC(F)(F)[C@@H]1C[C@H]1C[C@H](Br)c1cc(Br)sc1Br 1908751008 UXNRTXPUNGTQRF-JHYUDYDFSA-N 456.947 6.298 50 10 JKGE Cc1c(Br)sc([C@H](Br)[C@@H]2C[C@H]3O[C@H]2[C@H]2C[C@H]23)c1Br 1922921302 PLEICGJXKACFQF-WGDXWDMJSA-N 457.025 5.441 50 10 JKGE Fc1cc([C@H](Cl)c2c(Br)sc(Br)c2Cl)ccc1Br 1923038710 KCTAIDXBGWHQCI-QMMMGPOBSA-N 497.836 7.156 50 10 JKGE Clc1c(Br)sc(Br)c1[C@H](Br)c1cccc2c1CCCC2 1923068376 QMXCCUANGSOKKM-GFCCVEGCSA-N 499.493 7.290 50 10 JKGE FC(F)c1cscc1[C@@H](Cl)c1c(Br)sc(Br)c1Cl 1923068646 UZQUSNCIIKAFFF-ZCFIWIBFSA-N 456.986 7.254 50 10 JKGE CC1([C@H](Cl)c2c(Br)sc(Br)c2Br)CCCC1 1924579819 KNZJZZLYAKUTJG-MRVPVSSYSA-N 451.449 6.896 50 10 JKGE C[C@H]([C@H]1CCCO1)[C@@H](Cl)c1c(Br)sc(Br)c1Br 1924615234 YBOXPWHZWLGIMV-HCVRKRLWSA-N 467.448 6.131 50 10 JKGE Cc1oc(Br)cc1[C@H](Br)c1c(Cl)sc(Br)c1Cl 1925618310 OWDZTLONTJBEMR-ZETCQYMHSA-N 483.834 6.966 50 10 JKGE O=C(c1cscc1OCc1ccccc1)N(Cc1ccccc1)[C@@H](CBr)C1CC1 1934835586 GPFPUGUREZOBTR-QFIPXVFZSA-N 470.432 6.143 50 10 JKGE Cc1cc(Br)c([C@@H](Cl)c2cscc2OCc2ccccc2)cc1Br 1950321559 TYUGTTBDDHBPPL-LJQANCHMSA-N 486.656 7.489 50 10 JKGE COC1([C@H](Cl)c2c(Br)sc(Br)c2Br)CCC1 1979933853 IIOIRUYEVDJYBY-SSDOTTSWSA-N 453.421 5.885 50 10 JKGE COC[C@@H]1C[C@@H]1[C@H](Br)c1c(Br)sc(Br)c1Cl 1988578950 HKHORTNIDNYSKZ-VPLCAKHXSA-N 453.421 5.645 50 10 JKGE Cl[C@H](c1ccc(Br)s1)c1ccc(Br)cc1I 1995285466 HVVURJMJVDFZBT-NSHDSACASA-N 492.401 6.206 50 10 JKGE ClCc1c(Cl)ncn1-c1cc(Br)c(Br)c(Br)c1 2006598238 WRYRPMQNZGAALC-UHFFFAOYSA-N 463.782 5.552 50 10 JKGE Cc1cc(Br)c(F)c([C@@H](Br)c2cc(Br)c(Cl)s2)c1 2028924027 NLERYARCHWSIMB-SNVBAGLBSA-N 477.418 6.858 50 10 JKGE Cl[C@H](Cc1ccc(Br)cc1)c1c(Br)cccc1Br 2033090591 HMTCEVUUQHMKBL-CYBMUJFWSA-N 453.399 6.497 50 10 JKGE Clc1c(Br)sc(Br)c1[C@H](Br)C1[C@@H]2CCCCC[C@@H]12 2048337137 KJXGWASPFITZML-BRDIYROLSA-N 477.487 7.189 50 10 JKGE Cc1c(Br)sc([C@H](Br)C[C@H]2C[C@H]2C(F)(F)F)c1Br 2065505370 KLNPGWYBBBDTEK-FSDSQADBSA-N 470.974 6.606 50 10 JKGE CC(C)(C)OC(=O)N1CCC[C@](CI)(OC[C@H]2C[C@@H]2C2CCCC2)C1 2079995269 KPLRGFSARBWNBF-MBOZVWFJSA-N 463.400 5.034 50 10 JKGE Cc1cc(Br)c(C)c([C@H](Br)c2ccsc2C)c1Br 2081060867 NXWVPNUBRBGCER-CQSZACIVSA-N 453.037 6.683 50 10 JKGE Cn1nc([C@@H](Cl)c2ccc(Br)cc2Br)c(Br)c1Cl 2083318567 QPPVUJUDDCIHOO-VIFPVBQESA-N 477.809 5.689 50 10 JKGE COc1cc(Br)c(C)cc1[C@H](Br)c1ccc(I)cc1 2089725308 LQALCQUTJKBNPO-OAHLLOKOSA-N 495.980 5.855 50 10 JKGE Cc1cccc([C@H](Cl)c2cc(Br)c(Cl)cc2F)c1I 2097833242 AZPWPIKUNGEYEO-ZDUSSCGKSA-N 473.938 6.483 50 10 JKGE C[C@@H](COCc1ccccc1)Cn1c(CCCl)nc2cc(Cl)c(Br)cc21 2112701346 IJORVGCRYWTCFI-CQSZACIVSA-N 456.211 6.086 50 10 JKGE CC(C)[C@@H]1CN(c2cc(Br)cc(F)c2CBr)CCN1Cc1ccccc1 2114266020 MFBCGXBQBADKQG-NRFANRHFSA-N 484.251 5.830 50 10 JKGE Cc1cc(Br)c(CBr)c(N(C)[C@H]2CC(C)(C)[C@H]2OCc2ccccc2)c1 2116804142 OJDLHNXVAGUHAA-SFTDATJTSA-N 481.272 6.473 50 10 JKGE FC1(F)C2(CC2)C12CC([C@@H](Br)c1cc(Br)c(Br)s1)C2 2127511782 LSAWFWPRAASGLC-ATZMEGNHSA-N 477.006 6.535 50 10 JKGE Brc1ccc(Br)c([C@H](Br)[C@H]2C[C@H]2C2CCOCC2)c1 2135279333 VQWFEVAKIDQZJE-SLEUVZQESA-N 453.012 5.710 50 10 JKGE CCOC1CC([C@H](Br)c2c(C)c(Br)cc(C)c2Br)C1 2136368421 FQVKAAGQVVKKHZ-NWHVRFAMSA-N 455.028 6.080 50 10 JKGE Cc1c(Br)ccc([C@H](Br)[C@@]23CC[C@@](C)(C2)OC3)c1Br 2138855129 VWXRALSHUGGTFZ-KKUMJFAQSA-N 453.012 5.915 50 10 JKGE FC1(F)CC2(CC([C@H](Br)c3ccc(Br)cc3Br)C2)C1 2138861851 HOVRJDCMWYTNRK-LBPRGKRZSA-N 458.966 6.473 50 10 JKGE CCC[C@H]1CN(Cc2ccc(I)c(Cl)c2)C[C@H]1CBr 2142952949 LNQZTWWWACFHIA-QWHCGFSZSA-N 456.593 5.188 50 10 JKGE BrCc1ccc(Br)cc1N1CCc2ccc(Br)cc2C1 2149905625 JTXCNNFVNBKXOS-UHFFFAOYSA-N 460.007 5.669 50 10 JKGE C[C@@H](Br)C[C@@H]1CCCCCN1C(=O)c1csc(Br)c1Br 2150344473 LVUAZKSUNRQUJZ-ZJUUUORDSA-N 488.083 5.831 50 10 JKGE Clc1ccc(C[C@@H](CBr)Cc2c(Br)cccc2Br)cc1 2150494804 JMTSKCYOULQGLA-GFCCVEGCSA-N 481.453 6.661 50 10 JKGE COc1ccc(Br)c(CC[C@H](Br)c2ccc(Br)cc2)c1 2169798244 BGNSVWNXRGJAHI-HNNXBMFYSA-N 463.007 6.289 50 10 JKGE COCCOc1ccc([C@H](Br)c2cc(Br)sn2)cc1Br 2176537897 KCUAONWUJVDVGK-ZDUSSCGKSA-N 486.023 5.178 50 10 JKGE CCc1nc([C@@H](Cl)c2cc(Br)cc(Cl)c2OC)c(Br)s1 2203006209 CQJQNVOXQMSKOY-JTQLQIEISA-N 460.018 6.221 50 10 JKGE Brc1ccc([C@@H](Br)C23CC4CC(CC(C4)C2)C3)c(Br)c1 2203687939 RUMWXOXRDQFHCM-CFADKHTPSA-N 463.051 6.864 50 10 JKGE CCn1cc(Br)c([C@H](Br)c2cc(C)cc(Br)c2OC)n1 2203814870 NPNXCKNPKQVPDM-GFCCVEGCSA-N 466.999 5.229 50 10 JKGE Fc1cc(Br)c(Br)cc1[C@@H](Br)c1cscc1Cl 2213490406 RHNOTGTZEWGEEU-LLVKDONJSA-N 463.391 6.550 50 10 JKGE CC(C)(C)OC(=O)N[C@H]1CN(CCCCCI)C2(CCCCCC2)C1 2220220637 VJZGDXURPXHDLI-QGZVFWFLSA-N 464.432 5.284 50 10 JKGE CC[C@@]1([C@H](Br)c2c(Br)cc(Cl)c(Cl)c2Cl)CCCO1 2224325091 XEWDJOSYLDPVCX-OLZOCXBDSA-N 451.413 6.805 50 10 JKGE Cc1cc(F)ccc1[C@H](Br)c1cc(Br)c(Br)cc1F 2225615591 JHSDDRYUTDXYEW-AWEZNQCLSA-N 454.934 6.283 50 10 JKGE COc1ccc([C@H](Br)c2cc(Br)c(Br)cc2F)cc1 2225617419 UJHBBLFHTBUUAT-AWEZNQCLSA-N 452.943 5.844 50 10 JKGE Cc1c(Br)csc1[C@H](Br)c1c(F)cc(F)c(Br)c1F 2227807000 JVRWQAWNLLKSHL-SNVBAGLBSA-N 478.953 6.483 50 10 JKGE CCOCc1cc(Br)c([C@H](Br)c2cc(C)cc(Br)c2)s1 2233020573 LCBMEQPLTFFQEV-CQSZACIVSA-N 483.063 6.602 50 10 JKGE Fc1cc(Br)c(Br)cc1[C@H](Br)c1csc2c1CCCC2 2233992199 LOXXQWLARLOVMK-HNNXBMFYSA-N 483.038 6.775 50 10 JKGE ClCc1nc2cc(Br)c(Br)cc2n1Cc1cc(Cl)cs1 2234067313 MLZUPBMNSHHFSM-UHFFFAOYSA-N 455.002 6.063 50 10 JKGE FC1(F)C[C@H]([C@H](Cl)c2c(Br)sc(Br)c2Br)C12CCC2 2266144462 YZPXOJFIYDJSII-XRGYYRRGSA-N 499.440 7.141 50 10 JKGE CC1(C)CO[C@H]([C@H](Br)c2c(F)cc(Br)c(F)c2Br)C1 2272723373 FWLQDFVULVKGOD-WPRPVWTQSA-N 462.954 5.741 50 10 JKGE Cc1cc(Br)c([C@H](Br)c2cc(Cl)ccc2Br)c(C)c1F 2279145776 BVSROHUYPYNEJV-CQSZACIVSA-N 485.416 7.105 50 10 JKGE Clc1cc2c(cc1[C@@H](Br)c1scc(Br)c1Cl)OCCO2 2279283431 MSYHIOJCYZACKB-LLVKDONJSA-N 458.986 6.073 50 10 JKGE Cc1cc(Br)c([C@H](Br)[C@@H]2COC3(CCC3)C2)c(C)c1Br 2284848893 XZCBXEVTLMMBDX-XHDPSFHLSA-N 467.039 6.224 50 10 JKGE COc1cc([C@@H](Cl)c2cc3sc(Br)cc3s2)ccc1Br 2295412589 YHCUUICAEAWHMN-CQSZACIVSA-N 452.620 6.825 50 10 JKGE N#CC(=Cc1ccc(O)c(Br)c1)c1nc(-c2cc3cc([N+](=O)[O-])ccc3oc2=O)cs1 2297449878 WXZXFCRFHODDLY-UHFFFAOYSA-N 496.298 5.357 50 10 JKGE Cc1ccc(-n2c(C)cc(C=C(C#N)C(=O)Nc3cc(C(F)(F)F)ccc3Cl)c2C)cc1 2297487671 FTQSNLFPHBOYPX-UHFFFAOYSA-N 457.883 6.620 50 10 JKGE C[C@@H]1OC2([C@@H](Br)c3cc(Br)ccc3OCc3ccccc3)CC1C2 2299498998 VYZCPWOHYALKIC-YMJMOUTQSA-N 452.186 6.032 50 10 JKGE CCN(C[C@@](C)(CI)OC[C@@](C)(CC)C(F)F)C(=O)OC(C)(C)C 2299749164 FXPYFOMFNNSDFS-IAGOWNOFSA-N 463.347 5.135 50 10 JKGE Fc1c(Br)cc(Cl)c([C@@H](Br)CC(F)(F)F)c1Br 2300172587 SWKDEHIMIQDDGX-BYPYZUCNSA-N 463.288 6.393 50 10 JKGE CC(C)(C)OC(=O)N1C[C@H](I)[C@@H](OCCC2CCCCCCC2)C1 2302983854 LPBGVWCGTOQNFA-IRXDYDNUSA-N 451.389 5.177 50 10 JKGE O=C(N[C@H](CCCl)COCc1ccccc1)c1ccc(Br)cc1Br 2303707212 QPVMBEVOVLPBTQ-OAHLLOKOSA-N 475.608 5.156 50 10 JKGE FC1(F)[C@H]2C[C@H]([C@@H](Br)c3sc(Br)cc3Br)CC[C@H]21 2309100305 FRECNLQXQUJUJZ-QGOVLLJGSA-N 464.995 6.391 50 10 JKGE COc1ccc(NC(=O)C(C#N)=Cc2cc(Br)ccc2OCc2cccc(C)c2)cc1 2313671064 AGIGOQFBXITQIF-UHFFFAOYSA-N 477.358 5.891 50 10 JKGE Cc1ccccc1C[C@H]1SC(=C(C#N)C(=O)Nc2ccccc2)N(c2ccc(C(C)C)cc2)C1=O 2314594158 ZZJDTFCYPCLHEI-AREMUKBSSA-N 481.621 6.183 50 10 JKGE CCc1cc(C)sc1[C@@H](Br)c1c(Br)c(Br)nn1C 2316833143 WEYVWOZHTURYTC-QMMMGPOBSA-N 457.029 5.362 50 10 JKGE COc1cc(C=C(C#N)c2nc(-c3ccccc3)cs2)cc(OC)c1OCc1ccccc1 2323839088 GUKKESMIYAWXSA-UHFFFAOYSA-N 454.551 6.470 50 10 JKGE COc1ccc(C=C(C#N)C(=O)NCC[C@H](C)c2cccc(-c3ccc(O)cc3)c2)cc1OC 2329701067 CLFILRKKPCGERX-IBGZPJMESA-N 456.542 5.293 50 10 JKGE CCOc1ccc(-c2csc(C(C#N)=C(O)[C@H]([C@@H](C)CC)N3C(=O)c4ccccc4C3=O)n2)cc1 2331305688 IEWKNCSPNGVSNK-HJPURHCSSA-N 487.581 5.712 50 10 JKGE CCOc1cc(C=C(C#N)c2nc(-c3ccc(F)cc3F)cs2)cc(Br)c1O 2331436109 IKPNZDGRMDTIBI-UHFFFAOYSA-N 463.303 6.019 50 10 JKGE Cc1cc(C)c(C)c(-c2csc(C(C#N)=Cc3ccc(OCc4ccccc4Cl)cc3)n2)c1C 2331468349 AIOHQSYHBGDWCG-UHFFFAOYSA-N 485.052 8.340 50 10 JKGE CCCOc1c(C=C(C#N)c2nc(-c3cc(Cl)c(OC)cc3OC)cs2)cccc1OC 2331471734 CBFRJTXOBURFDQ-UHFFFAOYSA-N 470.978 6.342 50 10 JKGE COc1cc(C)c(-c2csc(C(C#N)=Cc3ccc(OC(=O)c4ccccc4)cc3)n2)cc1C 2331485581 IHDFXSYZOQDSFW-UHFFFAOYSA-N 466.562 6.719 50 10 JKGE COc1cc(C=C(C#N)c2nc(-c3ccc(OC)c4ccccc34)cs2)cc(OC)c1OC 2331489178 FEDXEKOQYROIIC-UHFFFAOYSA-N 458.539 6.062 50 10 JKGE CCCCOc1ccc(C=C(C#N)c2nc(-c3cc(Cl)ccc3OC)cs2)cc1OC 2331491916 WOSQOENGVBLBAE-UHFFFAOYSA-N 454.979 6.724 50 10 JKGE CC[C@@H]1OCC[C@H]1[C@H](Br)c1c(Cl)cc(Br)c(F)c1Br 2337114607 RXVMSHLUZOBNLC-PUMQYWBSSA-N 479.409 6.255 50 10 JKGE CCCC(CCC)[C@H](Br)c1c(Cl)cc(Br)c(F)c1Br 2337114921 VHQJTFGCQPHECD-LBPRGKRZSA-N 479.453 7.657 50 10 JKGE COc1c(Br)cc(Cl)c(C)c1[C@H](Br)c1cnsc1Br 2337335495 AEBHJJGMWXFVNZ-SNVBAGLBSA-N 490.442 6.123 50 10 JKGE COc1c(Br)cc(C)c([C@@H](Br)C2(C(C)C)CC2)c1Br 2339654151 PWMDOOHUONQQLF-CQSZACIVSA-N 455.028 6.401 50 10 JKGE COc1c(Br)cc(C)c([C@H](Br)[C@H](C)C(C)(C)C)c1Br 2339654691 UMIMLSGFJGWQJW-JOYOIKCWSA-N 457.044 6.647 50 10 JKGE ClCc1c(Cl)cccc1OCc1ccc(I)c(Br)c1 2349803443 ADFBGYKGJWDLGW-UHFFFAOYSA-N 471.947 6.025 50 10 JKGE Fc1cc(Br)c(Br)cc1[C@H](Br)[C@H]1OC[C@@H]2CCCC[C@H]12 2358562247 SUUYXHYTDVVBJE-DMAMZFHHSA-N 471.002 5.992 50 10 JKGE Fc1cc(Br)c(F)c(Br)c1[C@@H](Br)[C@@H]1CCC[C@H]1C(F)F 2359721691 GGFASBHZGMJZJI-DGAHNEANSA-N 482.935 6.607 50 10 JKGE Fc1cc(Cl)c(Br)c(Cl)c1[C@H](Cl)c1cccc(Br)c1F 2360429298 NQHYYULTZIOAQD-LLVKDONJSA-N 465.346 7.125 50 10 JKGE COc1c([C@@H](Br)c2c(F)cc(Cl)c(Br)c2Cl)csc1C 2360482839 CHPALIPZGRXTJO-SNVBAGLBSA-N 462.993 6.758 50 10 JKGE Fc1c(Br)cc(Cl)c([C@H](Br)[C@@]23CCC[C@@H](C2)OC3)c1Br 2362227000 YYCBVTPWSLDABE-GTNLGMRDSA-N 491.420 6.399 50 10 JKGE COc1cc([C@@H](Br)c2cccc(I)c2)c(OC)cc1Cl 2363535287 SBTOTWNKJMNQCK-HNNXBMFYSA-N 467.528 5.446 50 10 JKGE CC(C)(C)OC(=O)N1CCC[C@@](CI)(OCc2ccc(F)cc2C2CC2)C1 2364651402 UTPYUCHOEODZRQ-NRFANRHFSA-N 489.369 5.424 50 10 JKGE COc1c(Br)cc(C)c([C@@H](Cl)c2cn(C)c(Br)n2)c1Br 2365176234 NXISTLOWZBCEJR-NSHDSACASA-N 487.417 5.353 50 10 JKGE COc1c(Br)cc(C)c([C@H](Br)[C@H]2COCC2(C)C)c1Br 2365195366 AYXFFXIXBROGHI-BXKDBHETSA-N 471.027 5.637 50 10 JKGE CC(C)[C@H](Br)C(C)(C)CNC(=O)c1cccc(Br)c1Br 2365863383 MMBBHJLSWSTHGY-ZDUSSCGKSA-N 470.043 5.387 50 10 JKGE Fc1cc(Cl)c([C@@H](Br)c2cc3sc(Br)cc3s2)c(Cl)c1 2366406290 BSUBOPATWWZMAU-ZDUSSCGKSA-N 475.029 7.656 50 10 JKGE COc1c(F)cc([C@@H](Cl)c2ccc(Br)cc2I)cc1F 2370446171 YFHMVKWAMVOHBE-CYBMUJFWSA-N 473.482 5.669 50 10 JKGE CC1CCC([C@H](CBr)NCc2cc(Br)ccc2Br)CC1 2379758633 PFOUTCSSUGGGGM-PPUFBPAQSA-N 468.071 5.891 50 10 JKGE CC1(C)[C@H]2CC[C@@H](C2)[C@]1(CBr)Cc1cc(I)ccc1Cl 2380466922 PXXSAJUKNZGIQJ-GDZNZVCISA-N 467.616 6.325 50 10 JKGE Cc1ccccc1CSC(SCc1ccccc1C)=C(C#N)C(=O)NCCc1ccccc1 3059072 GCIBGFBHMRAARB-UHFFFAOYSA-N 472.679 6.564 50 10 JKGE C[C@@H](Oc1ccc(Cl)cc1Cl)C(=O)Oc1ccc(/C=C(/C#N)c2ccccc2F)cc1 31901669 UODWYTIRGPYXGS-UHVIJJLKSA-N 456.300 6.570 50 10 JKGE COc1cc(/C=C(\C#N)c2ccccc2)cc(Br)c1OCc1ccc([N+](=O)[O-])cc1 33379967 HQFDVSPFOXRTQP-YBFXNURJSA-N 465.303 6.009 50 10 JKGE CC(C)c1ccc(OCC(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@H]3c2ccccc2Cl)cc1 38651084 KTFHSRVYHNGRCG-SANMLTNESA-N 474.944 5.666 50 10 JKGE Cc1cc(Cl)ccc1OCC(=O)Oc1ccc2c(c1)OC(N)=C(C#N)[C@@H]2c1c(F)cccc1Cl 38680576 COVQTBZRRZUASP-HSZRJFAPSA-N 499.325 5.644 50 10 JKGE CCCCOc1cccc(C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@@H]3c2cccc(OCC)c2)c1 38684954 WOPSZXUNLXOVNY-HHHXNRCGSA-N 484.552 5.702 50 10 JKGE Cc1cc2oc(C(=O)Oc3ccc4c(c3)OC(N)=C(C#N)[C@@H]4c3ccccc3Cl)c(C)c2cc1C 38687616 LZBPJYWKZHTUCW-RUZDIDTESA-N 484.939 6.449 50 10 JKGE CCN(C(=O)c1oc2c(c1C)/C(=N/NC(=O)c1ccccc1Br)CCC2)c1ccccc1 40812934 HNOVLFBCAPKUDR-NHFJDJAPSA-N 494.389 5.488 50 10 JKGE COc1cc(/C=C(\C#N)c2ccccc2)ccc1OC(=O)c1c(Cl)ccc(Cl)c1Cl 40840759 RGHVXHWIHZTXBK-LFIBNONCSA-N 458.728 6.939 50 10 JKGE COc1cc(/C=N/NC(=O)[C@@H](C)Oc2ccc(C(C)(C)C)cc2)ccc1OCc1ccc(Cl)cc1 40961459 ZJOQOSBGJGGWKA-ZXAKHJNPSA-N 495.019 6.143 50 10 JKGE CCCCNC(=O)/C(C#N)=C/c1ccc(OC(=O)/C(=C/c2ccccc2)c2ccccc2)c(OC)c1 40970835 PNOMHEIUJNLAIY-XUWUHCBVSA-N 480.564 5.665 50 10 JKGE Cc1cccc(-c2nn(-c3ccccc3)cc2/C=N/NC(=O)C(=O)Nc2cc(Cl)ccc2Cl)c1 48573044 RMLNMROIWOWXEL-CCVNUDIWSA-N 492.366 5.243 50 10 JKGE C[C@@H]1CCCC[C@@H]1NC(=O)[C@@H](c1ccccc1Cl)N(C(=O)CCl)c1ccc(F)cc1 97914409 ALPWTEAKOMOWJK-UPKQVVFYSA-N 451.369 5.487 50 10 JKGE CCCCCCCOc1ccc(/C=C2/C(=O)N(Cc3ccccc3Cl)C(=O)C(C#N)=C2C)cc1 101340888 VMRHLPYHLLKIJM-JJIBRWJFSA-N 477.004 6.482 50 10 JKGE Brc1cccc(C[C@H](Br)c2cc(Br)ccc2Br)c1 109844493 GDVOPSGKXYQBNJ-AWEZNQCLSA-N 497.850 6.653 50 10 JKGE CCOc1ccc(Br)cc1[C@@H](Br)Cc1ccc(Cl)c(Cl)c1 109871699 YHVWBEZYLXUISD-ZDUSSCGKSA-N 453.001 6.833 50 10 JKGE COc1ccc2cc([C@@H](Br)c3ccccc3I)ccc2c1 109880069 LLXBDZCWCKWGOT-GOSISDBHSA-N 453.117 5.937 50 10 JKGE Brc1cc([C@@H](Br)c2ccc3c(c2)CCO3)sc1Br 128234507 XROTUJGWBIJERH-LBPRGKRZSA-N 452.993 5.692 50 10 JKGE Cc1cc(Br)c([C@H](Br)[C@H]2Cc3ccccc3O2)cc1Br 128767044 KEIIYOLGZXUYCE-CVEARBPZSA-N 460.991 5.960 50 10 JKGE Cc1cc(Br)c([C@H](Br)c2cccc(F)c2Cl)cc1Br 128825078 FCUPWXHCIOHJMJ-CYBMUJFWSA-N 471.389 6.797 50 10 JKGE Fc1c(Cl)cccc1[C@H](Br)c1cc(Br)c(Br)s1 131173133 RKBSGCCVEZEPAX-VIFPVBQESA-N 463.391 6.550 50 10 JKGE COc1ccc([C@H](Br)[C@@H](Br)c2ccc(OC)c(OC)c2)cc1OC 138258448 MBBHHOGFBDEQMC-ROUUACIJSA-N 460.162 5.293 50 10 JKGE CCOc1ccc(/C=C(/C#N)C(=O)Nc2nc(-c3ccc4c(c3)CCCC4)cs2)cc1OC 207206470 OSCGYIIFEGSEFP-MTJSOVHGSA-N 459.571 5.642 50 10 JKGE Cc1cccc([C@H](Br)c2csc3c(Br)cccc23)c1Br 236009844 PJNUBEXAIXOVKN-HNNXBMFYSA-N 475.043 7.219 50 10 JKGE Clc1ccc(Oc2ccc(Br)cc2CBr)c(Br)c1 236047076 DQUVNSNRDXLKHE-UHFFFAOYSA-N 455.371 6.552 50 10 JKGE CC(C)[C@H]1CC[C@@H](C)C[C@@H]1O[C@H](CI)c1ccccc1Br 253128112 MUQRAUVIVADRAV-KJWYOANISA-N 465.213 6.403 50 10 JKGE Cc1ccc(C(C)C)c(OCC(=O)NN=Cc2c(C)n(Cc3ccccc3)c3ccccc23)c1 254344450 OPRHULMYIGCVNF-UHFFFAOYSA-N 453.586 5.959 50 10 JKGE O=C(NN=Cc1ccc(N2CCCCC2)s1)c1cc(-c2ccc(F)cc2)nc2ccccc12 254423270 LHIHBWFQFCMRJX-UHFFFAOYSA-N 458.562 5.857 50 10 JKGE O=C(NN=Cc1cc(Cl)c(OCc2ccccc2Cl)c(Cl)c1)c1ccccc1-n1cccc1 254506944 NSSGSIAHRSXGKU-UHFFFAOYSA-N 498.797 6.780 50 10 JKGE C[C@H](Br)C[C@@H]1CCCCN1C(=O)c1cc(Br)sc1Br 302603765 LPLSMUYZBGFZEQ-IUCAKERBSA-N 474.056 5.441 50 10 JKGE Fc1cc(COc2c(Br)cc(Br)cc2CBr)ccc1Cl 380099109 MSHUVJJEFPMBQT-UHFFFAOYSA-N 487.388 6.478 50 10 JKGE CC(C)(C)OC(=O)N1C[C@@H](c2ccc(CO[Si](C)(C)C(C)(C)C)cc2)Cc2ccccc21 616667973 GNCPRLPEAQSZRC-QHCPKHFHSA-N 453.699 7.290 50 10 JKGE Fc1ccc([C@@H](Br)c2cc(Br)c(Br)s2)c(F)c1Cl 689687510 AWFHREBMBZKEFF-MRVPVSSYSA-N 481.381 6.689 50 10 JKGE BrCC(CBr)(Cc1ccsc1Br)C1CCCCC1 696836789 DWHMZXUVEHFIQZ-UHFFFAOYSA-N 459.085 6.410 50 10 JKGE Cc1cccc(-n2c(C)c(Br)c(C=NNC(=O)CSc3ccc(Cl)cc3)c2C)c1 1083996748 MCRNMGBCDFBIKG-UHFFFAOYSA-N 490.854 6.061 50 10 JKGE CCOc1cc(C=NNC(=O)CC[C@@H](O)c2ccccc2)ccc1OCc1cccc2ccccc12 1084032879 SPZCOFPFLXQUQZ-HHHXNRCGSA-N 482.580 5.781 50 10 JKGE O=C(NN=Cc1cccc(OCc2cccc3ccccc23)c1)C(c1ccccc1)c1ccccc1 1084333635 INDDMURHTJGGLY-UHFFFAOYSA-N 470.572 6.701 50 10 JKGE Cc1c(C(=O)Oc2ccc(Cl)cc2Cl)oc2c1C(=NNC(=O)c1cccc(Cl)c1)CCC2 1772749301 ZLPISFMQFBWWLI-UHFFFAOYSA-N 491.758 6.238 50 10 JKGE Cc1occc1C(=O)NN=C1CCCc2oc(C(=O)Nc3cc(Cl)cc(Cl)c3)c(C)c21 1772750222 ZNCBQRIHUWULGW-UHFFFAOYSA-N 460.317 5.519 50 10 JKGE CCCc1ccc(OCC(=O)NN=Cc2cc(Br)ccc2OCc2ccccc2)cc1 1772753628 WHVKCAMIZBOQFU-UHFFFAOYSA-N 481.390 5.510 50 10 JKGE CCc1nn(-c2ccc(Cl)c(Cl)c2)c2c1[C@@H](c1ccc(C(C)(C)C)cc1)C(C#N)=C(N)O2 1865682058 DVMNSMROASUKOO-NRFANRHFSA-N 467.400 6.257 50 10 JKGE COc1ccc2ccccc2c1[C@@H]1C(C#N)=C(N)Oc2c1c(-c1ccccc1)nn2Cc1ccc(C)cc1 1865688259 OBFIPNKEKFVJBT-NDEPHWFRSA-N 498.586 6.287 50 10 JKGE CCCCCOc1ccc([C@H]2C(C#N)=C(N)Oc3c2c(CCC)nn3Cc2cc(C)ccc2C)cc1 1865689749 DTFZJUYUNHCLTF-MHZLTWQESA-N 484.644 6.288 50 10 JKGE CCCc1nn(Cc2ccc(Cl)c(Cl)c2)c2c1[C@@H](c1ccc3c(c1)OCCO3)C(C#N)=C(N)O2 1865698255 OPRHDNWJKQWVCD-QFIPXVFZSA-N 497.382 5.180 50 10 JKGE COc1ccc(-c2nn(Cc3ccccc3F)c3c2[C@H](c2c[nH]c4ccccc24)C(C#N)=C(N)O3)cc1 1865700249 NUIPVIVMFGLQJX-VWLOTQADSA-N 491.526 5.446 50 10 JKGE N#CC1=C(N)Oc2c(c(-c3ccccc3)nn2Cc2ccc(F)cc2)[C@H]1c1c[nH]c2ccccc12 1865700569 XNRGBZCGQGRENG-XMMPIXPASA-N 461.500 5.437 50 10 JKGE CCc1nn(Cc2cccc(F)c2)c2c1[C@@H](c1ccc(OCc3ccccc3C)cc1)C(C#N)=C(N)O2 1865703205 PTGNFHFUDHDLFA-MHZLTWQESA-N 494.570 5.739 50 10 JKGE CC(C)Oc1ccccc1[C@@H]1C(C#N)=C(N)Oc2c1c(-c1ccccc1)nn2Cc1ccccc1Cl 1865705530 YLZMFRWCFIVROP-RUZDIDTESA-N 496.998 6.257 50 10 JKGE CCc1nn(Cc2ccc(Cl)c(Cl)c2)c2c1[C@@H](c1ccccc1OC)C(C#N)=C(N)O2 1865710454 YKPUPMZQZRQHGY-FQEVSTJZSA-N 455.345 5.027 50 10 JKGE CC(C)(NC(=O)[C@@H](c1ccc(Cl)cc1)C1CCCC1)C(=O)Nc1ccc(SC#N)cc1 1867005796 YCVCITWXQPUUGL-OAQYLSRUSA-N 456.011 5.720 50 10 JKGE COc1cccc(/C=C(\C#N)c2nc3ccccc3s2)c1OCc1c(Cl)cccc1Cl 1872726949 VWGUJZSGZUTMBP-FOWTUZBSSA-N 467.377 7.255 50 10 JKGE COc1ccc(-c2csc(/C(C#N)=C(\O)[C@H]3CC(=O)N([C@H](C)c4ccccc4)C3)n2)cc1OC 1872745411 LXLJEKFQLIYHCQ-LMGHWXJXSA-N 475.570 5.230 50 10 JKGE COc1ccc(-c2csc(/C(C#N)=C(\O)CCCOc3ccc4ccccc4c3)n2)c(OC)c1 1872755673 ZILXARBNBAUDGA-BZZOAKBMSA-N 472.566 6.632 50 10 JKGE CCOc1ccc(-c2csc(/C(C#N)=C(\O)Cc3cc(OC)ccc3OC)n2)c(OCC)c1 1872755685 ZYFKLIBKAWDMOI-XDOYNYLZSA-N 466.559 5.660 50 10 JKGE CCCc1ccc(OC/C(O)=C(\C#N)c2nc(-c3cc(Cl)cc(C)c3OC)cs2)cc1 1872757149 SGDJHMLHARMWOL-XDOYNYLZSA-N 454.979 6.605 50 10 JKGE COc1ccc(-c2csc(/C(C#N)=C(\O)[C@H](C)Oc3ccc(C(C)C)cc3)n2)cc1Cl 1872757465 HMSPWXWQAPSXOA-BXPXOOBPSA-N 454.979 6.856 50 10 JKGE COc1ccc(-c2csc(/C(C#N)=C/c3cc(Br)cc(OC)c3O)n2)cc1C 1872780677 HWNAIWDNZJKXOO-VIZOYTHASA-N 457.349 5.668 50 10 JKGE COc1cc(/C=C(\C#N)c2nc(-c3ccccc3OC)cs2)ccc1OCc1ccccc1 1872784324 KJEXDCCXAIPLTG-KGENOOAVSA-N 454.551 6.470 50 10 JKGE Brc1ccc([C@H](Br)c2sc(Br)cc2Br)s1 1922919962 BDSVWPJVPUUNTF-QMMMGPOBSA-N 495.881 6.581 50 10 JKGE Cc1c(Br)sc([C@@H](Br)CCOCC(F)(F)F)c1Br 1922953553 FFBLIQQMYGKXKE-LURJTMIESA-N 474.962 5.987 50 10 JKGE Clc1c(Br)sc(Br)c1[C@H](Br)C1(c2ccccc2)CC1 1923066095 LQMBOTOQJUUOOJ-NSHDSACASA-N 485.466 7.094 50 10 JKGE C[C@@H](c1ccncc1Br)[C@H](Br)c1ccc(Cl)cc1Br 1924039621 LPGMQXQNXWVELW-RTHLEPHNSA-N 468.414 6.500 50 10 JKGE C[C@H]([C@H](Br)c1c(Br)sc(Br)c1Br)C(C)(C)C 1924604897 JSJRKEVBIRCPAM-VDTYLAMSSA-N 497.916 7.154 50 10 JKGE Cc1cc(C(=O)N(Cc2ccccc2)[C@H](CBr)C(C)C)c(Br)s1 1939961813 BHWNYDIWDOLDAH-MRXNPFEDSA-N 459.247 5.881 50 10 JKGE BrCCCN(Cc1ccccc1)Cc1cc(Br)ccc1Br 1957335424 FIUKYBSCAURBQY-UHFFFAOYSA-N 476.050 5.999 50 10 JKGE CC1(F)CC([C@H](Br)c2c(Br)sc(Br)c2Cl)C1 1986899241 HTLQNDWERABKHB-SIPCTPOTSA-N 455.412 6.501 50 10 JKGE FC1(F)C[C@]12C[C@H]2[C@H](Br)c1c(Br)sc(Br)c1Cl 2004506147 GADDLYLVGRCRFD-AXDDTHNUSA-N 471.386 6.408 50 10 JKGE CCc1cc(Br)c([C@H](Br)c2cccc(C)c2Br)s1 2029235363 QKKJOOFJFYBQDE-CYBMUJFWSA-N 453.037 6.628 50 10 JKGE Clc1ccc(C[C@H](Br)c2c(Br)cccc2Br)cc1 2033090771 JJZOVHHTKIPGOA-ZDUSSCGKSA-N 453.399 6.544 50 10 JKGE Cc1sc(Br)c([C@@H](Br)Cc2ncccc2Br)c1C 2039500747 NBHLUJXQGKAYNX-JTQLQIEISA-N 454.025 5.964 50 10 JKGE FC(F)(F)c1sccc1[C@H](Br)c1sc(Br)cc1Br 2039888882 SLBPVTHRDCBBAO-ZETCQYMHSA-N 484.982 6.838 50 10 JKGE COc1cc(C)c([C@@H](Cl)c2cc(I)sn2)cc1Br 2077999228 MRVZEYSMRFWHEX-GFCCVEGCSA-N 458.546 5.155 50 10 JKGE Brc1cc(Br)cc([C@@H](Br)c2cc3sccc3s2)c1 2084760489 SWQZXDRQASTDLF-CYBMUJFWSA-N 467.045 6.972 50 10 JKGE COc1c(C)cc(Br)cc1[C@H](Br)c1sncc1Br 2085631381 QKOUAQWZCHBBMS-JTQLQIEISA-N 455.997 5.469 50 10 JKGE COc1c(C)cc(Br)cc1[C@@H](Br)c1ccc(Br)s1 2085641243 BUTWOSFWSWFTIC-GFCCVEGCSA-N 455.009 6.074 50 10 JKGE Clc1ccc(Br)c(Oc2c(CBr)ccc(Br)c2Cl)c1 2098108778 FGZKUQPPGHBGNJ-UHFFFAOYSA-N 489.816 7.206 50 10 JKGE Cc1c(Br)sc([C@H](Br)[C@H]2CCCC(C)(C)CC2)c1Br 2100837863 GRYXQUGFGNHDST-CMPLNLGQSA-N 473.112 7.624 50 10 JKGE Fc1cc(Br)cc(Oc2ccc(Br)cc2Br)c1CCl 2114267711 MYVLMTPUACWPSD-UHFFFAOYSA-N 473.361 6.644 50 10 JKGE O=C(N[C@H](CBr)c1ccsc1)c1c(Br)cccc1Br 2119043043 GVVLFGNQFPQLBS-LLVKDONJSA-N 468.008 5.139 50 10 JKGE C[C@@H](Cl)c1nc2cc(I)c(F)cc2n1[C@H]1C[C@@H](Br)C1 2126740997 OZNUAZFVKHREGL-PRJMDXOYSA-N 457.512 5.178 50 10 JKGE O=C(NC1CCCCC1)[C@@H](Cl)c1ccc(OCc2ccccc2)c(OCc2ccccc2)c1 2134723285 MKGUNCQSTQRMME-MHZLTWQESA-N 464.005 6.573 50 10 JKGE Fc1ccccc1[C@H](Br)CCc1ccc(I)c(Cl)c1 2142937814 TYYJRFZFBQNBFU-GFCCVEGCSA-N 453.520 6.153 50 10 JKGE Fc1cc(F)c(OCc2cccc(Br)c2Br)c(CBr)c1 2148752065 SCCAGXDFDHZHCH-UHFFFAOYSA-N 470.933 5.964 50 10 JKGE C[C@@H]1Cc2cc(Br)cc([C@@H](Br)c3scc(Cl)c3Cl)c2O1 2152527178 AHMWFRBXQCMXEC-KSBSHMNSSA-N 457.014 6.625 50 10 JKGE ClCc1nc2cc(Br)c(Cl)cc2n1-c1ccccc1I 2159868264 OCSVWEOSGSKDMF-UHFFFAOYSA-N 481.946 5.785 50 10 JKGE ClCc1cc(Cl)cc(Br)c1OCc1ccc(Cl)c(Br)c1 2166830210 SZTPARUJUFKPQM-UHFFFAOYSA-N 459.392 6.836 50 10 JKGE C[C@@H]1CCCC[C@]12[C@H](Br)C[C@H]2Oc1c(Br)cccc1Br 2173629303 MUVMNVITTKWPFT-DSPGLSBSSA-N 467.039 6.323 50 10 JKGE C[C@H](Cl)c1nc2cc(I)c(F)cc2n1C[C@H]1C[C@H](Br)C1 2196931572 IZVVQAGJYNUGHB-CIUDSAMLSA-N 471.539 5.253 50 10 JKGE Cc1cc(Br)c(C)c([C@H](Br)[C@H]2CCCS(=O)(=O)C2)c1Br 2201063243 CLWADDQMBYAAAL-IINYFYTJSA-N 489.067 5.089 50 10 JKGE COc1cc(Br)ccc1[C@@H](Br)c1cc(Br)c(Cl)cc1C 2202350481 DVOFOSLJCMOZPM-OAHLLOKOSA-N 483.425 6.666 50 10 JKGE COc1c(Cl)cc(Br)cc1[C@@H](Br)c1cccc(F)c1Br 2203004171 QGNZHSJXTPGRBV-LBPRGKRZSA-N 487.388 6.497 50 10 JKGE COc1ccc([C@@H](Br)c2nn(C)c(Cl)c2Br)c(Cl)c1Cl 2203433550 QHJSQYQONCKLPR-SSDOTTSWSA-N 463.384 5.636 50 10 JKGE Cc1cc(C)c([C@@H](Br)c2ccc(Br)c(C)c2Br)c(C)c1 2203687122 PBYROXHGOVUBGV-KRWDZBQOSA-N 461.035 6.930 50 10 JKGE Fc1ccc([C@H](CI)OCc2ccc(F)cc2Br)cc1 2206263791 CHGZXIRTTSEQBR-HNNXBMFYSA-N 453.064 5.420 50 10 JKGE C[C@H](CCBr)N(Cc1ccccc1)C[C@@H]1CC1(Br)Br 2208983832 LHQTVXSKICGZAG-OCCSQVGLSA-N 454.044 5.168 50 10 JKGE Clc1ccc([C@H](Br)c2c(Br)cc(Cl)c(Cl)c2Cl)s1 2217617098 CPYQQORDRFUVCL-VIFPVBQESA-N 469.840 7.609 50 10 JKGE Cc1c(Br)sc([C@H](Br)c2c(Br)nn(C)c2C)c1C 2218787559 KSSJUYRRLBZCFE-SECBINFHSA-N 457.029 5.416 50 10 JKGE Fc1ccc(Cl)c([C@@H](Br)c2cc(Br)c(Br)cc2F)c1 2225617327 OCJQLCWQHBMYKX-CYBMUJFWSA-N 475.352 6.628 50 10 JKGE CC(C)[C@@H]1CCC[C@H]1[C@@H](Br)c1cc(Br)c(Br)cc1F 2225619204 FVCPRCCXHZDZQJ-FEUHOPSXSA-N 457.019 6.859 50 10 JKGE Clc1cc(Br)ccc1C[C@H](Cl)c1cc(C2CC2)c(Br)s1 2237459337 ZJAVYSLLTUMAHN-ZDUSSCGKSA-N 455.042 7.327 50 10 JKGE O=C(c1csc(Br)c1Br)N1C[C@H]2CCCC[C@@]2(CBr)C1 2238793649 FZPMYDAEHBRMAC-YMTOWFKASA-N 486.067 5.300 50 10 JKGE Cc1c(Br)ccc([C@H](Br)[C@H]2OCC[C@@H]2C(F)(F)F)c1Br 2240512689 CLDWEVJYOUAOBL-UWJYBYFXSA-N 480.944 5.923 50 10 JKGE Cc1c(Br)ccc([C@H](Br)c2cocc2Br)c1Br 2249421434 HNOMPGYSUDPWHL-LBPRGKRZSA-N 487.811 6.360 50 10 JKGE Brc1cc2sc([C@H](Br)c3occc3Br)cc2s1 2252906590 ADKKUAACRFGRMS-JTQLQIEISA-N 457.006 6.565 50 10 JKGE Clc1c(Br)csc1[C@@H](Cl)c1csc2c(Br)cccc12 2264595022 QFDHQIRGXOTVJM-JTQLQIEISA-N 457.039 7.469 50 10 JKGE COc1ccc(Br)cc1[C@@H](Br)c1cccc(Cl)c1Br 2267972240 WGXCKCCGRBTELE-ZDUSSCGKSA-N 469.398 6.358 50 10 JKGE COc1ccc([C@H](Br)c2ccc(OCc3ccccc3)cc2)c(Br)c1Cl 2268265015 AFZVRTWZWXCCMI-LJQANCHMSA-N 496.626 7.174 50 10 JKGE COc1ccc([C@@H](Br)c2cc(Cl)c(Cl)s2)c(Br)c1Cl 2268282501 XRBAZFQACRYUIM-SECBINFHSA-N 465.421 6.964 50 10 JKGE C[C@H]1Cc2cc([C@H](Br)c3cc(Br)co3)cc(Br)c2O1 2270463345 GNUHAAVIWLSOHC-CPFSXVBKSA-N 450.952 5.612 50 10 JKGE Cc1nscc1C(C#N)=C(Cl)c1cc(Br)ccc1I 2271406369 ATINRPGDESZXIX-UHFFFAOYSA-N 465.541 5.449 50 10 JKGE Fc1cc(Br)c(F)c(Br)c1[C@H](Br)C[C@@H]1C[C@@H]1C1CC1 2272739607 NDSZALXGIJBVCX-DJLDLDEBSA-N 458.966 6.362 50 10 JKGE CCCC(CBr)(CCC)CN(C)Cc1ccc(I)cc1 2280256428 YEMKIILGYMOZQZ-UHFFFAOYSA-N 452.218 5.705 50 10 JKGE COc1c([C@@H](Br)c2c(C)nsc2Br)cc(Br)c(C)c1C 2284524892 QGCXAFLDCATRNK-GFCCVEGCSA-N 484.051 6.086 50 10 JKGE COc1ccc([C@@H](Br)c2ccc(C(F)F)cc2)cc1I 2285015668 ZQRBBPAJQHNPMX-AWEZNQCLSA-N 453.064 5.722 50 10 JKGE CC(C)(C)CCN(CCBr)C(=O)c1cccc(Br)c1Br 2289877427 WBMIHTJXKGHRCK-UHFFFAOYSA-N 470.043 5.485 50 10 JKGE Cc1ccc(N2C(=O)[C@@H](Cc3ccccc3C)SC2=C(C#N)C(=O)Nc2ccccc2)cc1 2293038999 RSJUMUKSVXJTMQ-XMMPIXPASA-N 453.567 5.368 50 10 JKGE CC(C)(C)c1ccc(Oc2nc3ccccn3c(=O)c2C=C(C#N)C(=O)Nc2cccc(Cl)c2)cc1 2296719441 SJEWFGPMUZRDKF-UHFFFAOYSA-N 498.970 5.983 50 10 JKGE COc1cc(C=C(C#N)c2nc(-c3ccccc3)cs2)ccc1OCC(=O)c1ccccc1 2296790146 RWZSBKMTLIFELV-UHFFFAOYSA-N 452.535 6.145 50 10 JKGE N#CC(=CNc1ccc(Cl)c(C(F)(F)F)c1)c1nc(-c2cccc([N+](=O)[O-])c2)cs1 2296800824 YAHIVVZFLPLSCS-UHFFFAOYSA-N 450.829 6.367 50 10 JKGE N#CC(=Cc1cc([N+](=O)[O-])ccc1OCC(=O)Nc1ccccc1)c1nc(-c2ccco2)cs1 2297579154 CVFCIOBFVBSUSO-UHFFFAOYSA-N 472.482 5.393 50 10 JKGE CC1([C@H](Br)c2cc(Br)ccc2OCc2ccccc2)CCCCC1 2299491751 GLKYKNXYXKGUQQ-HXUWFJFHSA-N 452.230 7.435 50 10 JKGE C[C@@H]1OCCO[C@@H]1[C@@H](Br)c1ccc(OCc2ccccc2)cc1Br 2299503044 BSILOERGKVBBCX-AGRHKRQWSA-N 456.174 5.268 50 10 JKGE CCC[C@H](C(C)C)[C@H](Br)c1ccc(OCc2ccccc2)cc1Br 2299505016 SDXAELFPXSIEPF-NQIIRXRSSA-N 454.246 7.536 50 10 JKGE CC(C)(C)OC(=O)N1C[C@H](OC[C@@H]2C[C@H]2C2CCCCCC2)[C@H](I)C1 2311651242 KAGKVPIKJTURKY-FJIDUMEYSA-N 463.400 5.032 50 10 JKGE Cc1cc(C=C(C#N)C(=O)Nc2ccc(Cl)c(Cl)c2)c(C)n1-c1cc(C(=O)O)cc(C(=O)O)c1 2313545753 CLFKVXFMKOVGNE-UHFFFAOYSA-N 498.322 5.343 50 10 JKGE C=CCc1cc(C=C(C#N)C(=O)NCCc2c[nH]c3ccccc23)cc(OC)c1OCc1ccccc1 2313556027 JTGRLDYXYWHFNW-UHFFFAOYSA-N 491.591 5.750 50 10 JKGE Cc1ccc(NC(=O)C(C#N)=Cc2cc(Cl)c(OCc3ccc([N+](=O)[O-])cc3)c(Cl)c2)cc1 2313568219 PTDBUOBYPHWFFP-UHFFFAOYSA-N 482.323 6.335 50 10 JKGE N#CC(=Cc1ccccc1OCc1ccc(Cl)c(Cl)c1)C(=O)Nc1cccc(C(F)(F)F)c1 2313670743 SQUMEDQVIBDHBZ-UHFFFAOYSA-N 491.296 7.137 50 10 JKGE CO[C@@H]1CCC[C@@H]([C@H](Br)c2cc(Br)ccc2OCc2ccccc2)C1 2314441501 ZHWACCGJBQBMDV-BLIXFSHQSA-N 468.229 6.669 50 10 JKGE Brc1ccc(OCc2ccccc2)c([C@H](Br)[C@H]2Cc3ccccc32)c1 2314446078 UWJITOAKHAXZKH-SIKLNZKXSA-N 458.193 6.804 50 10 JKGE C[C@]1([C@H](Br)c2ccc(OCc3ccccc3)cc2Br)C[C@@H]1C(F)(F)F 2314461323 QFUYOYLVEWJHAJ-KSZLIROESA-N 478.146 7.053 50 10 JKGE COc1cccc(-c2nn(-c3ccccc3)cc2C=C(C#N)S(=O)(=O)c2ccc(C)cc2)c1 2314475774 BZUVDLUPWIAVHX-UHFFFAOYSA-N 455.539 5.195 50 10 JKGE CC(C)(C)C1([C@H](Br)c2ccc(OCc3ccccc3)cc2Br)CCC1 2314501270 VVVURYCBHGMCEJ-HXUWFJFHSA-N 466.257 7.681 50 10 JKGE CCCCCCCOc1ccc(C=C2C(=O)N(CCCCCC)C(=O)C(C#N)=C2C)cc1OCC 2314610948 OQGWJYKLGOLMJE-UHFFFAOYSA-N 480.649 6.607 50 10 JKGE CCOc1cc(C=C2C(=O)N(CCCOC(C)C)C(=O)C(C#N)=C2C)ccc1OCc1ccccc1 2314618584 QAHAQPKRXAGBMT-UHFFFAOYSA-N 488.584 5.072 50 10 JKGE CCOc1cc(C=C2C(=O)N(Cc3ccccc3Cl)C(=O)C(C#N)=C2C)ccc1OCCC(C)C 2314619776 FELZVDVUCXDBCJ-UHFFFAOYSA-N 493.003 5.956 50 10 JKGE C[C@]12C[C@H](C1)[C@@H]([C@H](Br)c1cc(Br)ccc1OCc1ccccc1)CO2 2315929250 FLHLOWYVDQWICE-GDVKCFTOSA-N 466.213 6.279 50 10 JKGE Cc1ccc(COc2ccc(C=NNC(=O)COc3ccc(C(=O)NC4CCCCC4)cc3)cc2)cc1 2321697734 VJBUVWDEMQJFQJ-UHFFFAOYSA-N 499.611 5.166 50 10 JKGE CCCCCCOC(=O)c1ccc(NC(=O)C(C#N)=Cc2cccc(Br)c2)cc1 2329698842 STWIWNPTIZEXBB-UHFFFAOYSA-N 455.352 5.732 50 10 JKGE CCc1cccc(CC)c1N1C[C@@H](C(O)=C(C#N)c2nc(-c3ccc(F)cc3F)cs2)CC1=O 2331286608 PARBKNVLEVEJOL-KRWDZBQOSA-N 479.552 6.059 50 10 JKGE CSCC[C@@H](C(O)=C(C#N)c1nc(-c2ccccc2)cs1)N1C(=O)c2ccccc2C1=O 2331304886 QNAOKWHAASPLSL-FQEVSTJZSA-N 461.568 5.021 50 10 JKGE CCCOc1ccc(-c2csc(C(C#N)=C(O)CCCOc3cc(C)c(Cl)c(C)c3)n2)cc1 2331318217 IBYBLDGFWFDTNR-UHFFFAOYSA-N 483.033 7.521 50 10 JKGE COc1ccc(Cl)cc1N1C[C@@H](C(O)=C(C#N)c2nc(-c3ccc4c(c3)OCO4)cs2)CC1=O 2331335786 NHZLINSBBJFIJV-AWEZNQCLSA-N 495.944 5.047 50 10 JKGE COc1c(C)cc(C)cc1-c1csc(C(C#N)=C(O)Cc2ccc(Br)cc2)n1 2331370126 BDCSHZXJNQMRRS-UHFFFAOYSA-N 455.377 6.233 50 10 JKGE CCOc1ccc(OCC)c(-c2csc(C(C#N)=C(O)c3ccc([N+](=O)[O-])c(C)c3)n2)c1 2331376692 ILUAHXSGRNURTR-UHFFFAOYSA-N 451.504 5.774 50 10 JKGE COc1cc(-c2csc(C(C#N)=C(O)C=Cc3cccc([N+](=O)[O-])c3)n2)c(OC)cc1Cl 2331376860 DIRAAXFZFYCKIX-UHFFFAOYSA-N 469.906 5.895 50 10 JKGE COc1ccc(Cl)cc1[C@H](Cl)c1cc(Br)ccc1OCc1ccccc1 2336084704 WDKSUAUEAKPBPZ-OAQYLSRUSA-N 452.175 7.018 50 10 JKGE Clc1ccc(CC2(CBr)CC3(C2)CC32CC2)cc1I 2337222963 GIFCBXAEYMJJCT-UHFFFAOYSA-N 451.573 5.833 50 10 JKGE COc1c(Br)cc(C)c([C@@H](Br)C(F)(F)C2CC2)c1Br 2339675165 POGWWTDTDINNHJ-GFCCVEGCSA-N 462.954 6.010 50 10 JKGE COc1c(Br)cc(C)c([C@H](Br)[C@H]2CC[C@H](C)O2)c1Br 2339692052 UIJOYLWDBWFHGJ-MKPLZMMCSA-N 457.000 5.532 50 10 JKGE COc1cc([C@H](Br)c2cc(Br)c(C)cc2Br)sc1Cl 2340289152 YFKDGTAPZYPXKM-GFCCVEGCSA-N 489.454 6.728 50 10 JKGE Cc1ccc(OCc2cccc(I)c2)c(CBr)c1Cl 2341786640 ZQAJYSXAVBKUHM-UHFFFAOYSA-N 451.529 5.727 50 10 JKGE Cc1scc([C@@H](Cl)c2c(F)cc(Cl)c(Br)c2Cl)c1Br 2343477118 SEEPZYLQDWLMDK-LLVKDONJSA-N 467.412 7.356 50 10 JKGE Clc1ccc([C@H](CBr)Cc2cc(I)ccc2Cl)cc1 2352429175 DQRARKZFZPKFQW-LBPRGKRZSA-N 469.975 6.319 50 10 JKGE CCC[C@H]1CN(Cc2cc(I)ccc2Cl)C[C@@H]1CBr 2352432897 ZGCQQSHMYQSLSV-AAEUAGOBSA-N 456.593 5.188 50 10 JKGE COc1ccc(C[C@H](Br)c2cc(Br)ccc2OCc2ccccc2)cc1F 2361168352 KURWYUGYFHFXGP-IBGZPJMESA-N 494.198 6.855 50 10 JKGE Cl[C@@H](c1cccc(I)c1)c1cc2c(cc1Br)OCCC2 2369623440 FXINXDRYXVHTMO-INIZCTEOSA-N 463.540 5.707 50 10 JKGE CC1(C)CC(CBr)(CN2CC[C@H](NC(=O)OC(C)(C)C)C[C@H]2C(F)(F)F)C1 2371131726 RAKOAKREKKTRET-KBPBESRZSA-N 457.375 5.108 50 10 JKGE Cc1cc2oc(=O)cc(COC(=O)/C(C#N)=C\c3cc(C)n(CC(C)C)c3C)c2cc1Cl 4507841 VFVRJQJNPFBEMV-UWVJOHFNSA-N 452.938 5.480 50 10 JKGE CCCCC/C(=N\NC(=O)CCC(=O)N/N=C(\CCCCC)c1ccccc1)c1ccccc1 12575163 SAGBTHYYSACCPK-XDHTVYJESA-N 462.638 5.968 50 10 JKGE CCCCCCOc1ccc(C(=O)NC(=S)NNC(=O)c2ccc(OCCC(C)C)cc2)cc1 14029198 GGTNIKFNPCHMHG-UHFFFAOYSA-N 485.650 5.020 50 10 JKGE CC[C@H](Oc1ccc(-c2ccccc2)cc1)C(=O)NNC(=O)COc1ccc([C@@H](C)CC)cc1 14768874 HOKZPVNSNYKEBO-FNZWTVRRSA-N 460.574 5.251 50 10 JKGE COc1cc(/C=C(/C#N)c2ccccc2F)ccc1OC(=O)CC(c1ccccc1)c1ccccc1 31901730 KOJPNHJAKRQEEB-BWAHOGKJSA-N 477.535 7.026 50 10 JKGE CCOC(=O)c1ccc(NC(=O)/C(C#N)=C\c2ccc(-c3cccc(Cl)c3Cl)o2)cc1 33339682 PNCWQKQNCAIXQE-QINSGFPZSA-N 455.297 5.976 50 10 JKGE CCCCCN1C(=O)C(C#N)=C(C)/C(=C\c2ccc(OCc3ccccc3F)c(OCC)c2)C1=O 38603997 BMDVFFGWWCSLHJ-PXLXIMEGSA-N 476.548 5.586 50 10 JKGE N#CC1=C(N)Oc2cc(OC(=O)c3cccc4ccccc34)ccc2[C@H]1c1ccc(Cl)cc1 38651379 KANZWYMBQHFQNR-RUZDIDTESA-N 452.897 5.931 50 10 JKGE CCc1ccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)COc4ccc(Cl)cc4Cl)ccc32)cc1 38676946 MYLKPFFJTCWLME-RUZDIDTESA-N 495.362 5.758 50 10 JKGE CCCCCOc1cccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4ccccc4F)ccc32)c1 38684818 BVXAPHQWBGEAST-AREMUKBSSA-N 472.516 5.832 50 10 JKGE CCOc1cc(/C=C(\C#N)C(=O)NCc2ccco2)ccc1OC(=O)Nc1cccc(Cl)c1 40929112 PVADRIAKYLTKRT-GZTJUZNOSA-N 465.893 5.166 50 10 JKGE CCOc1ccc(/C=C(\C#N)C(=O)Nc2scc(-c3ccc(CC)cc3)c2C(=O)OC)cc1OC 40939444 BBRALTVYJRNIQK-DEDYPNTBSA-N 490.581 5.717 50 10 JKGE Cc1ccc(-n2c(C)cc(/C=C(/C#N)c3nnc(N4CCOCC4)n3-c3ccccc3)c2C)cc1C 96669549 GVTKKWOFJGAJGF-BWAHOGKJSA-N 478.600 5.192 50 10 JKGE Fc1ccc([C@@H](Br)c2cc(Cl)c(Br)cc2F)c(Br)c1 97895824 HQOPRDYPSLUZGL-CYBMUJFWSA-N 475.352 6.628 50 10 JKGE Cc1cc(C)c(NC(=O)/C(C#N)=C\c2cc(C)n(-c3cccc(C(F)(F)F)c3)c2C)c(C)c1 97990546 CUGAHDHPOKAMFM-MTJSOVHGSA-N 451.492 6.584 50 10 JKGE CCCCCCOc1ccc(/C=C\C(=O)Oc2ccc(/C=C(\C#N)C(=O)OC)cc2OC)cc1OC 103756930 MOPMXKPOYSLOES-KRTAVAKFSA-N 493.556 5.362 50 10 JKGE Cc1cc(Br)cc(CBr)c1OCc1sccc1Br 160880102 RXVWWXQVNMPTGY-UHFFFAOYSA-N 455.009 6.055 50 10 JKGE CC[C@H](C)c1ccc([C@H](Br)c2cc(Br)ccc2Br)cc1 161081846 DKLNQMPPDFPWMG-GTNSWQLSSA-N 461.035 7.209 50 10 JKGE CCCc1ccc(OCC(=O)Oc2ccc(/C=C(/C#N)c3ccc(Cl)cc3)cc2OC)cc1 197774576 JQNOBPYBBISOGH-JCMHNJIXSA-N 461.945 6.350 50 10 JKGE CCCCCCOc1ccc(/C=C(/C#N)C(=O)Nc2nc3c(C)cc(C)cc3s2)cc1OC 207200437 APYVBLHTTMHMQU-ZHZULCJRSA-N 463.603 6.427 50 10 JKGE CCCCOc1ccc(/C=C2\C(=O)N(Cc3ccc(OC)cc3)C(=O)C(C#N)=C2C)cc1OCC 214397078 ZGLFAJIBYVZCNG-HAHDFKILSA-N 474.557 5.065 50 10 JKGE Clc1sc([C@H](Cl)c2csc(I)c2)cc1Br 227839845 DGFZEHDZDCZBFO-MRVPVSSYSA-N 453.979 6.158 50 10 JKGE Cc1c(Br)cccc1[C@@H](Br)c1cc(Br)cc2c1OCC2 228444063 FEGNGNWBBJTMEH-OAHLLOKOSA-N 460.991 5.939 50 10 JKGE CCCOc1ccc([C@@H](Br)c2cc(C)c(Br)s2)cc1Br 229006075 OMWGPKMEMXVXNL-CQSZACIVSA-N 483.063 6.855 50 10 JKGE Brc1cc([C@H](Br)[C@@H]2[C@H]3CCc4ccccc4[C@H]32)c(Br)s1 250846306 ITXOQDMHUAKBGJ-QOWREQOWSA-N 477.059 6.685 50 10 JKGE CC(C)(C)c1ccc(C=NNC(=O)CSc2nc3ccccc3n2Cc2ccccc2)cc1 254380412 OYLUTDMXZKDDIN-UHFFFAOYSA-N 456.615 5.625 50 10 JKGE CCCOc1ccc(C=NNC(=O)CSc2nnc(-c3ccc(C)cc3)n2-c2ccccc2)cc1 254708094 VUAMAFXTQWDAOV-UHFFFAOYSA-N 485.613 5.274 50 10 JKGE CCOc1ccc(C(=O)Oc2ccc3ccccc3c2C=NNC(=O)c2cccc([N+](=O)[O-])c2)cc1 254709783 CCZFVAHNMOVOIV-UHFFFAOYSA-N 483.480 5.130 50 10 JKGE CC(=NNC(=O)c1ccc(CSc2cccc3cccnc23)cc1)c1ccc(C(C)(C)C)cc1 254834972 OUUZUVSFBLSWRN-UHFFFAOYSA-N 467.638 6.979 50 10 JKGE O=C1Cc2cc([C@@H](Br)c3cccc(Br)c3)c(Br)cc2N1 312709585 DZXJEXUVIATNBA-HNNXBMFYSA-N 459.963 5.191 50 10 JKGE O=C(OCc1ccccc1)N1C[C@H](c2ccc(F)cc2Br)[C@@H](CBr)C1 382717994 LTZVOZKHFPLNFE-YOEHRIQHSA-N 471.164 5.335 50 10 JKGE Fc1cc(CBr)ccc1OCc1cc(Cl)ccc1I 405293165 IYPCKDZJICBQAR-UHFFFAOYSA-N 455.492 5.558 50 10 JKGE CC(C)(C)OC(=O)Nc1ccccc1[C@H]1CN(CCO[Si](C)(C)C(C)(C)C)c2ccccc2N1 616685624 QRSUNTAIMSDMFV-HSZRJFAPSA-N 483.729 7.029 50 10 JKGE Cc1nc(COc2c(Br)cc(CBr)cc2Br)c(C)s1 692476614 RCLUANYOOIULAX-UHFFFAOYSA-N 470.024 5.759 50 10 JKGE CCn1cc([C@H](Br)c2cc(Cl)c(Cl)c(Cl)c2Cl)nc1Br 698415079 BAXHUKAKPCDXCI-MRVPVSSYSA-N 481.830 6.763 50 10 JKGE CCOc1ccc([C@@H](Cl)c2cccc(F)c2I)c(Br)c1 721698599 QXDMSWLHPWEJHY-CQSZACIVSA-N 469.519 5.920 50 10 JKGE CC(=NNC(=O)CSc1ccc(Cl)cc1)c1ccc2c(c1)[C@@H]1C=CC[C@@H]1[C@H](c1ccccc1)N2 1084031353 HYLPAWPZLMQLDO-NYULUDCUSA-N 488.056 6.799 50 10 JKGE Cc1ccccc1NC(=O)/C(C#N)=C/c1cc(Br)c(Sc2ccc(Cl)cc2)o1 1084158501 DKBZLXZHYHLUSQ-GXDHUFHOSA-N 473.779 6.701 50 10 JKGE CCOc1cc(/C=C(\C#N)C(=O)N(C)C)cc(Br)c1OCc1ccc2ccccc2c1 1084214063 YQQFDARAMKGADA-CIAFOILYSA-N 479.374 5.575 50 10 JKGE CCCOc1ccc2cc(C(=O)ON=C3C[C@H]4CC[C@@]3(C)[C@@]4(C)CBr)c(=O)oc2c1 1772721822 WHGOGAJUINOKEW-IEKZBVHVSA-N 476.367 5.316 50 10 JKGE Cc1cccnc1NC(=O)c1oc2c(c1C)C(=NNC(=O)c1ccc(Cl)cc1Cl)CCC2 1772749182 XVSQZHIWYGEKAM-UHFFFAOYSA-N 471.344 5.321 50 10 JKGE COc1cc(C=NNC(=O)COc2cccc(C)c2)ccc1OCc1c(Cl)cccc1Cl 1772753862 LLFTXCAFABKBSH-UHFFFAOYSA-N 473.356 5.419 50 10 JKGE CCCCOc1cccc(C=NNC(=O)CSc2nc(-c3ccc(Cl)cc3)cs2)c1 1772754930 AOYFCIBZYIEDNR-UHFFFAOYSA-N 460.024 5.885 50 10 JKGE C[C@H](Br)C(=O)Nc1ccc(Oc2ccc(NC(=O)[C@@H]3CCCC[C@@H]3C(=O)O)cc2)cc1 1859504712 FDBCTGNKHLIUEW-KPOBHBOGSA-N 489.366 5.030 50 10 JKGE N#CC1=C(N)Oc2c(c(C(F)(F)F)nn2-c2cccc3ccccc23)[C@@H]1c1ccccc1F 1865683345 JIBOVMWKFNKECK-LJQANCHMSA-N 450.395 5.402 50 10 JKGE CN(C)c1ccc([C@@H]2C(C#N)=C(N)Oc3c2c(-c2ccccc2)nn3Cc2c(F)cccc2Cl)cc1 1865683923 QHUQCVODUIIZDY-XMMPIXPASA-N 499.977 5.675 50 10 JKGE N#CC1=C(N)Oc2c(c(C(F)(F)F)nn2Cc2ccccc2Cl)[C@H]1c1c(Cl)cccc1Cl 1865684893 ANCMKENFQJNJOD-OAHLLOKOSA-N 499.707 6.129 50 10 JKGE Cc1ccc(Cn2nc(-c3ccccc3)c3c2OC(N)=C(C#N)[C@@H]3c2ccc(Cl)cc2Cl)cc1 1865685784 NEYOITNOYFUAAT-QHCPKHFHSA-N 487.390 6.432 50 10 JKGE CCOc1ccc([C@H]2C(C#N)=C(N)Oc3c2c(C(F)(F)F)nn3Cc2ccc(C)cc2)cc1OCC 1865688876 DAYIWIULAHZTFH-NRFANRHFSA-N 498.505 5.274 50 10 JKGE N#CC1=C(N)Oc2c(c(-c3ccccc3)nn2Cc2cccc(F)c2)[C@@H]1c1cc(Cl)ccc1O 1865689608 UFXPRCBVQRXPFQ-JOCHJYFZSA-N 472.907 5.315 50 10 JKGE CCCCCOc1ccc([C@H]2C(C#N)=C(N)Oc3c2c(CCC)nn3CC(C)C)cc1OCC 1865691646 XHVJKCNYQQRRAF-DEOSSOPVSA-N 466.626 5.677 50 10 JKGE CCCc1nn(-c2ccccn2)c2c1[C@H](c1cccc(OCc3ccccc3)c1)C(C#N)=C(N)O2 1865711844 IZTJDCSLZJOOIP-RUZDIDTESA-N 463.541 5.017 50 10 JKGE C[C@@H](CC(=O)N[C@@H](C(=O)Nc1ccc(SC#N)cc1)c1ccccc1)c1cccc(Cl)c1 1867186768 GUEKXHKBDWAGHH-BXKMTCNYSA-N 463.990 5.903 50 10 JKGE CCCC[C@H](NC(=O)Cc1ccc(C)c(Br)c1)C(=O)Nc1ccc(SC#N)cc1 1867229956 DSHQZPXIHSUAHJ-FQEVSTJZSA-N 474.424 5.187 50 10 JKGE N#C/C(=C(O)\C=C\c1ccc(Cl)c(Cl)c1)c1nc(-c2ccc3c(c2)CCCC3)cs1 1872745656 XHEVQYDWPNAHLL-XOEHJKEUSA-N 453.394 7.502 50 10 JKGE CC(C)(C)c1ccc(/C=C/C(O)=C(\C#N)c2nc(-c3cccc(Br)c3)cs2)cc1 1872746202 XMYRPVOMSWBOFI-BGQGPKPDSA-N 465.416 7.376 50 10 JKGE CCOc1ccc(-c2csc(/C(C#N)=C(\O)[C@H]3CC(=O)N(c4cc(Cl)ccc4OC)C3)n2)cc1 1872747906 YPQDOLPZNOWXFO-WGCOJADFSA-N 495.988 5.717 50 10 JKGE CC(C)(C)c1ccc(-c2csc(/C(C#N)=C(\O)COc3ccc(Cl)cc3Cl)n2)cc1 1872751222 XMOKUCKARQTUAX-JZJYNLBNSA-N 459.398 7.286 50 10 JKGE COc1c(Cl)cc(Cl)cc1-c1csc(/C(C#N)=C(O)/C=C\c2ccc3c(c2)OCCO3)n1 1872754485 VOFKOBBCJDNRSR-CCMPRUTPSA-N 487.364 6.403 50 10 JKGE CCOc1cc(/C=C(\C#N)c2nc(-c3ccc(Cl)cc3)cs2)ccc1OCC(=O)N(CC)CC 1872790286 XRJOHGSROAJUMT-DEDYPNTBSA-N 496.032 6.174 50 10 JKGE CCN(Cc1ccccc1)c1ccc(/C=C(\C#N)c2nc(-c3ccc(Cl)c(Cl)c3)cs2)cc1 1872790406 GIWIWADMRCHCBF-HYARGMPZSA-N 490.459 8.208 50 10 JKGE CCOc1cc(/C=C(\C#N)c2nc(-c3ccc(F)cc3)cs2)ccc1OCc1ccccc1C 1872791405 IAUYZXOWLNHSQD-OEAKJJBVSA-N 470.569 7.300 50 10 JKGE Cc1ccc(C(C)(C)C)cc1-c1csc(/C(C#N)=C/c2cc(Br)ccc2F)n1 1872794336 WCDPPIDJDMYOGU-CXUHLZMHSA-N 455.396 7.382 50 10 JKGE N#C/C(=C(O)\C=C\c1ccc(OCc2ccccc2)cc1)c1nc(-c2ccc(F)cc2F)cs1 1872818030 JZDQLNXEGGMVIL-YDNWMEBPSA-N 472.516 7.173 50 10 JKGE CCCOc1ccc(-c2csc(/C(C#N)=C(\O)c3ccc(-n4cccc4)cc3)n2)cc1OCCC 1872818185 QIRNXKVWXALYKH-VYIQYICTSA-N 485.609 7.128 50 10 JKGE CCOc1cc(/C=N/NC(=O)[C@H](CC(C)C)NC(=O)OC(C)(C)C)ccc1OCc1ccccc1C 1873795269 VPYXBKFBQYUQIK-WWUWQWKFSA-N 497.636 5.362 50 10 JKGE CCc1cc(Br)c([C@@H](Br)c2c(Br)c(CC)nn2C)s1 1877185600 HBVVQJYFSKHNLE-NSHDSACASA-N 471.056 5.616 50 10 JKGE Cc1cc(Br)c(C(=O)N(C)C[C@H]2C[C@H](Br)C2)cc1NC(=O)OC(C)(C)C 1887824442 ZQJUPENROGDOMD-JOCQHMNTSA-N 490.236 5.350 50 10 JKGE CCC[C@H](CBr)COc1cc(Br)cc(I)c1 1900985185 IRDDMPLJGPDRFM-SECBINFHSA-N 461.963 5.244 50 10 JKGE ClCC[C@H](COCc1ccccc1)NCc1cc(Br)ccc1Br 1902915065 XNSSCMPTZPGUPI-QGZVFWFLSA-N 461.625 5.516 50 10 JKGE C[C@H](Cl)c1nc2c(Br)cc(F)cc2n1[C@H]1CCN(Cc2ccccc2)[C@@H]1C 1912665341 VZCBRDPUVFNLAD-IYOUNJFTSA-N 450.783 6.073 50 10 JKGE Cc1sc(C)c(S(=O)(=O)N(Cc2ccccc2)[C@H](C)CCBr)c1Br 1915113516 KFKWTIQLDLNMRH-GFCCVEGCSA-N 495.302 5.492 50 10 JKGE O=C(c1c(F)cc(Br)cc1F)N(Cc1ccccc1)[C@@H](CBr)C1CC1 1915263953 JIHNRKUBDXVVFQ-KRWDZBQOSA-N 473.155 5.543 50 10 JKGE Cc1cc(C(=O)N(Cc2ccccc2)[C@H](CBr)C2CC2)sc1Br 1915313631 ONHMIGWOIVUKGM-OAHLLOKOSA-N 457.231 5.635 50 10 JKGE COc1ccc(Br)c(C(=O)N(Cc2ccccc2)[C@H](CBr)C(C)C)c1 1915321600 GJDUYAYXKANNND-LJQANCHMSA-N 469.217 5.520 50 10 JKGE COc1cccc([C@@H](Br)c2sc(Br)c(C)c2Br)c1F 1922894876 PICCIJBIVPEPSQ-SNVBAGLBSA-N 472.999 6.214 50 10 JKGE Cc1sc(Br)cc1[C@H](Cl)c1c(Br)sc(Br)c1Cl 1923054763 JTMZKMQHAZNHDC-ZETCQYMHSA-N 499.902 7.387 50 10 JKGE Clc1c(Br)sc(Br)c1[C@H](Cl)[C@H]1CCCc2ccccc21 1923066123 MAZHFZMTPVOSSU-CMPLNLGQSA-N 455.042 7.327 50 10 JKGE Cc1cc([C@H](Br)c2cc(Cl)c(Br)s2)c(Br)s1 1939962152 HDXGNOKPZMYZFA-QMMMGPOBSA-N 465.457 6.781 50 10 JKGE Cc1cc([C@H](Br)c2ccc(Br)cc2)ccc1I 2026133670 VTYPVLIOONOBQH-CQSZACIVSA-N 465.954 5.846 50 10 JKGE Clc1ccc([C@@H](Br)c2cccc(Br)c2Br)cc1Cl 2031478669 ICTXZEMNTQDSMH-GFCCVEGCSA-N 473.817 7.003 50 10 JKGE CN(c1ccc(CBr)c(Br)c1)[C@H]1CN(Cc2ccccc2)C(C)(C)C1 2037331030 GMPXMHLEOZEBJD-LJQANCHMSA-N 466.261 5.833 50 10 JKGE C[C@@H]1CCc2c(sc3nc(C(C#N)=Cc4ccc(N5CCCC5)c([N+](=O)[O-])c4)nc(O)c23)C1 2053514321 IVRZDMCANFBSSD-CQSZACIVSA-N 461.547 5.094 50 10 JKGE Cc1c(Br)sc([C@@H](Br)[C@H]2C[C@@H]3CC[C@H](C2)O3)c1Br 2061004527 CWLDJYNNHYCAHQ-CKEKPRIKSA-N 459.041 5.975 50 10 JKGE Cc1ccc(Cl)c([C@@H](Br)c2ccc(Br)cc2Br)c1 2083319669 BGWQWPPYYCIFEO-AWEZNQCLSA-N 453.399 6.658 50 10 JKGE CC1(C)CC[C@@H](CBr)N(C(=O)c2csc(Br)c2Br)C1 2093947207 QXMCFBZVUAVVCQ-QMMMGPOBSA-N 474.056 5.299 50 10 JKGE O=C(c1scc(Br)c1Br)N1[C@H]2CCC[C@@H](Br)[C@H]1CC2 2097816842 SCUNGXVFVFWHCQ-QXFUBDJGSA-N 472.040 5.194 50 10 JKGE Fc1ccc(F)c(C[C@@H](Br)c2ccc(Br)cc2)c1Br 2113492542 BULUKXKRLHSQGN-LLVKDONJSA-N 454.934 6.169 50 10 JKGE COCc1ccccc1[C@@H](Br)c1sc(Br)c(C)c1Br 2134736090 JRUJZOZFZXBSSA-GFCCVEGCSA-N 469.036 6.212 50 10 JKGE Cc1cc(Br)c(C)c([C@H](Br)c2c(Cl)cnn2C)c1Br 2136366471 ILISFKHDLKQJKR-LBPRGKRZSA-N 471.418 5.700 50 10 JKGE Cc1c(Br)ccc([C@@H](Br)C[C@@H]2CCCOCC2)c1Br 2138859598 CCPSSAJYEVUXGC-RISCZKNCSA-N 455.028 6.163 50 10 JKGE CS(=O)(=O)c1sccc1[C@@H](Br)c1ccc(Br)cc1Br 2138864368 KITRRBRJGZJZMW-NSHDSACASA-N 489.048 5.161 50 10 JKGE Cl[C@H](c1c(Br)sc(Br)c1Br)C1C2(CCC2)C12CCC2 2139147935 HARDCDYALUPNAE-SECBINFHSA-N 489.498 7.286 50 10 JKGE O=[N+]([O-])c1cc(Oc2ccc(CBr)c(Br)c2)ccc1Br 2146408109 LOHAHKOZLLPAPU-UHFFFAOYSA-N 465.923 5.807 50 10 JKGE C[C@@H]1Cc2cc([C@H](Br)c3c(Br)cccc3Br)ccc2O1 2150494875 TXNMCABARYACPC-ABKXIKBNSA-N 460.991 6.019 50 10 JKGE CCn1ncc(Br)c1[C@H](Br)c1scc(C(F)(F)F)c1Br 2150668361 LOMLMZJWXABPNY-QMMMGPOBSA-N 496.972 5.993 50 10 JKGE COc1cc(Br)c(C)cc1[C@H](Br)c1nn(C)c(Br)c1C 2168219184 XZGLNFAISZXVMR-LBPRGKRZSA-N 466.999 5.055 50 10 JKGE COc1cc(C)c([C@@H](Cl)c2cc(Br)ccc2Br)cc1Br 2198733267 UHSABTIHNZNAOQ-OAHLLOKOSA-N 483.425 6.619 50 10 JKGE COc1cc(C)c([C@H](Br)c2cc(F)ccc2Br)cc1Br 2198737754 SJSLWIOBEVQXEF-HNNXBMFYSA-N 466.970 6.152 50 10 JKGE Cc1c(Br)sc([C@H](Br)[C@@H]2C[C@H]2C2CCCCCC2)c1Br 2199989668 OOSGDSDNCNLZLZ-OUCADQQQSA-N 485.123 7.624 50 10 JKGE Clc1ccc(Br)c(CO[C@H](CBr)c2ccc(Br)cc2)c1 2200749581 DGFMAZLJRKUUHD-OAHLLOKOSA-N 483.425 6.518 50 10 JKGE Cc1sc(Br)c([C@H](Cl)c2c(Br)cc(F)c(Cl)c2F)c1C 2201621444 KYRGFROOCUPSSJ-NSHDSACASA-N 464.984 7.150 50 10 JKGE FC1(F)CCC2(CC1)C[C@@H]2[C@@H](Br)c1ccc(Br)cc1Br 2203687039 VVMHJSNHSLOVJA-YPMHNXCESA-N 472.993 6.863 50 10 JKGE Cc1c(Br)ccc([C@H](Br)[C@@]2(C)CCCC(F)(F)C2)c1Br 2203688400 TUHBRDDJTAZPPV-KBPBESRZSA-N 475.009 7.172 50 10 JKGE O=C(Nc1ccc(Cl)cc1CBr)c1csc(I)c1 2223324903 SQLOUIIXBMKXRB-UHFFFAOYSA-N 456.530 5.153 50 10 JKGE FC1(F)CCC[C@H]1[C@H](Br)c1c(Br)cc(Cl)c(Cl)c1Cl 2224302407 LIZCBGPWACPTGZ-CDUCUWFYSA-N 457.367 7.281 50 10 JKGE Cc1cc(Br)c([C@@H](Cl)c2cc(Br)c(Cl)s2)c(C)c1Cl 2224323343 RSUZKDFZMYFRFN-LBPRGKRZSA-N 463.449 7.525 50 10 JKGE CS(=O)(=O)c1csc([C@@H](Br)Cc2ccc(Br)cc2Cl)c1 2237453772 CMPNEMFOUYQWHD-NSHDSACASA-N 458.624 5.246 50 10 JKGE Cc1sc([C@H](Br)c2ccc(Br)c(Cl)c2)c(Br)c1C 2253505711 SJQCDNDOQKDCKH-GFCCVEGCSA-N 473.455 7.028 50 10 JKGE Clc1c(Br)sc(Br)c1[C@@H](Br)[C@H]1COC2(CCC2)C1 2257144208 MTDYZFPDAFLKGP-SVRRBLITSA-N 479.459 6.322 50 10 JKGE FC1(F)C[C@@H]([C@@H](Br)c2cc(Br)ccc2Br)C12CCC2 2266147956 PVIYIFOYRJYQHA-JQWIXIFHSA-N 458.966 6.473 50 10 JKGE COc1cc(C)c(Br)c(C)c1[C@H](Br)c1cscc1OCc1ccccc1 2269602074 AEHBACQRDDWUNG-OAQYLSRUSA-N 496.264 7.199 50 10 JKGE Fc1cc(Br)c(F)c(Br)c1[C@H](Cl)c1ccccc1Br 2272721379 HMZHLGLBHCOIER-GFCCVEGCSA-N 475.352 6.581 50 10 JKGE C[C@@H](C[C@@H](Br)c1c(F)cc(Br)c(F)c1Br)C(C)(C)C 2272737891 GDWQIYOKONIKFJ-JGVFFNPUSA-N 462.998 6.998 50 10 JKGE Fc1cc(C[C@H](Br)c2cc(Cl)ccc2I)ccc1Cl 2277790029 FJMNWDKLOWHUAD-NSHDSACASA-N 473.938 6.416 50 10 JKGE Clc1cccc(Br)c1[C@H](Cl)Cc1cc(Br)cc(Br)c1 2277954610 DXCFYIPNVWCEMI-CYBMUJFWSA-N 487.844 7.150 50 10 JKGE COc1ccc([C@H](Br)C2CC3(C2)CC(F)(F)C3)cc1I 2284999714 RFKNPNAUARBNRZ-ZDUSSCGKSA-N 457.096 5.561 50 10 JKGE COc1nccc2c1nc([C@H](C)Cl)n2CC1(N(Cc2ccccc2)Cc2ccccc2)COC1 2288662401 NWDIJSFGLGPICN-FQEVSTJZSA-N 477.008 5.211 50 10 JKGE COc1cc(C=C(C#N)C(=O)NC2CCCCC2)ccc1OCc1ccc(Cl)cc1Cl 2293131227 LRVNOJGKVRLFFQ-UHFFFAOYSA-N 459.373 5.937 50 10 JKGE Brc1cc(Br)cc(C[C@H](Br)c2csc3c2CCCC3)c1 2295344951 GGPOJVFUEALAHD-HNNXBMFYSA-N 479.075 6.831 50 10 JKGE CCOC(=O)c1sc(NC(=O)C(C#N)=Cc2ccc(C(C)C)cc2)c(C(=O)OCC)c1C 2296018756 HNHAQWUJSFTNRR-UHFFFAOYSA-N 454.548 5.079 50 10 JKGE N#CC(C(=O)Nc1ccccc1)=C1S[C@@H](Cc2cc(Cl)ccc2Cl)C(=O)N1c1ccccc1 2296506874 JKFCNINQRRNUCM-QFIPXVFZSA-N 494.403 6.058 50 10 JKGE C[C@@H]1C[C@H]2C(=CCCC2(C)C)C[C@H]1C=NNC(=O)CNC(=O)C(c1ccccc1)c1ccccc1 2297672241 VBYMCZWEOZFNSW-NYMACZPPSA-N 471.645 5.445 50 10 JKGE CC(F)(F)CCC[C@H](Br)c1ccc(OCc2ccccc2)cc1Br 2299491276 DMIXTOQCWBSQRB-KRWDZBQOSA-N 462.172 7.290 50 10 JKGE C[C@]1([C@H](Br)c2sc(Cl)cc2I)CCCC1(F)F 2300953967 QPBBBJHHMQJRAM-NXEZZACHSA-N 455.533 6.268 50 10 JKGE N#CC(=Cc1ccccc1OCc1cccc2ccccc12)C(=O)N1CCN(c2ccccc2)CC1 2313545850 JZMPZAJHLQEAJX-UHFFFAOYSA-N 473.576 5.675 50 10 JKGE C=CCc1cc(C=C(C#N)C(=O)N(C)C)cc(Br)c1OCc1cccc2ccccc12 2313567074 CMXWDMJRYOYZRO-UHFFFAOYSA-N 475.386 5.905 50 10 JKGE CCOC(=O)c1ccc(-c2ccc(C=C(C#N)c3nc(O)c4c5c(sc4n3)CCCC5)o2)cc1 2314456832 BEBCZRZFYNIXGE-UHFFFAOYSA-N 471.538 5.777 50 10 JKGE Cc1cc(Oc2nc3c(C)cccn3c(=O)c2C=C(C#N)C(=O)Nc2ccc(F)cc2)ccc1Cl 2314534122 YZNYNDXYSNZDIT-UHFFFAOYSA-N 488.906 5.442 50 10 JKGE CCCOc1ccc(-c2nn(-c3ccccc3)cc2C=C2C(=O)N(CC)C(=O)C(C#N)=C2C)c(C)c1 2314617664 PWSKFUZJVPKRDL-UHFFFAOYSA-N 480.568 5.249 50 10 JKGE Fc1c(Br)cc(Cl)c([C@@H](Br)[C@@H]2C[C@@H]3C[C@@H]3C2)c1Br 2315439251 BVPIZMYHQXVFAJ-LLVCWYDASA-N 461.394 6.486 50 10 JKGE Fc1c(Br)cc(Cl)c([C@H](Br)[C@@H]2C[C@H]2C2CC2)c1Br 2315440331 RIHKVMIVDAXDKJ-MVKOHCKWSA-N 461.394 6.486 50 10 JKGE CC(C)[C@@H]1C[C@@H]1[C@@H](Br)c1c(Cl)cc(Br)c(F)c1Br 2315447730 RJSYKUMDBWYQDI-OKTBNZSVSA-N 463.410 6.732 50 10 JKGE C[C@@H]1CC2CC([C@H](Br)c3c(Br)sc(Br)c3Cl)(C2)O1 2319524749 ZRGCLBSRXZCIOJ-YAMXRADNSA-N 479.459 6.320 50 10 JKGE COc1ccc(C=CC(=O)Oc2ccc(C=C(C#N)c3cccc(Cl)c3)cc2OC)cc1OC 2320507129 ZFWLVYLCARHCDC-UHFFFAOYSA-N 475.928 6.049 50 10 JKGE COc1ccc(C(C#N)=Cc2cccc(OC(=O)COc3ccc(Cl)cc3Cl)c2)cc1OC 2320510863 FEARWPVZDQMZQE-UHFFFAOYSA-N 484.335 6.059 50 10 JKGE CCCCCCCCCOc1ccc(C=NNC(=O)c2ccc([N+](=O)[O-])cc2)cc1OCC 2322974849 UPDRDGCLVMEVFO-UHFFFAOYSA-N 455.555 5.887 50 10 JKGE Cc1ccc(COc2cccc(C=NNC(=O)CCCCCNC(=O)OC(C)(C)C)c2)cc1 2328835216 IKAZRXOGGSKBOZ-UHFFFAOYSA-N 453.583 5.109 50 10 JKGE CCOc1cc(C=C(C#N)c2nc3ccccc3n2C)ccc1OCc1ccc(Cl)cc1Cl 2331019708 NZKXXYKIYGHUEP-UHFFFAOYSA-N 478.379 6.922 50 10 JKGE COc1ccc(-c2csc(C(C#N)=C(O)[C@@H](C)Oc3ccc(Cl)cc3Cl)n2)cc1OC 2331242800 MNMUHORPOJWYQL-GFCCVEGCSA-N 477.369 6.394 50 10 JKGE CCOc1ccc(C=CC(O)=C(C#N)c2nc(-c3ccc(OC)c(F)c3)cs2)cc1OC 2331336835 BWDKFFGKUGWJIM-UHFFFAOYSA-N 452.507 5.871 50 10 JKGE COc1ccc(C(C)(C)C)cc1-c1csc(C(C#N)=C(O)[C@H]2CC(=O)N(C(C)(C)C)C2)n1 2331350624 GXQUKYQNSBDRIH-HNNXBMFYSA-N 453.608 5.556 50 10 JKGE COc1cc(-c2csc(C(C#N)=C(O)COc3ccc(C)c(C)c3)n2)c(OC)cc1Cl 2331376892 HDBIDBSWHBEFME-UHFFFAOYSA-N 456.951 5.969 50 10 JKGE CCOc1ccc(-c2csc(C(C#N)=C(O)Cc3ccc(OC(C)C)cc3)n2)c(OCC)c1 2331386920 CMJPRPYDKMTJCH-UHFFFAOYSA-N 464.587 6.430 50 10 JKGE COc1ccc(-c2csc(C(C#N)=C(O)c3cc(OC)c(OC)cc3[N+](=O)[O-])n2)cc1Cl 2331399558 XPXKSQYKXWTCFF-UHFFFAOYSA-N 473.894 5.347 50 10 JKGE COc1ccc(-c2csc(C(C#N)=C(O)COc3ccc(Cl)cc3)n2)c(OC)c1OC 2331412784 HIUMQSWYVLVEGI-UHFFFAOYSA-N 458.923 5.361 50 10 JKGE CC[C@@]12CC[C@@]([C@@H](Br)c3cc(Br)ccc3OCc3ccccc3)(CO1)C2 2336074443 GHQHELVAKBOHHH-FKBYEOEOSA-N 480.240 6.813 50 10 JKGE FC1(F)[C@@H]2CC[C@H]([C@@H](Br)c3ccc(OCc4ccccc4)cc3Br)C[C@H]21 2336086169 KYZRGVNXKKBFQG-LMVHDODDSA-N 486.194 7.146 50 10 JKGE BrCc1cc(Br)ccc1N1CCc2scc(Br)c2C1 2336450725 FDLRMSZZMGEQRM-UHFFFAOYSA-N 466.036 5.731 50 10 JKGE Fc1c(Br)cc(Cl)c([C@@H](Br)[C@@H]2[C@H]3CCCO[C@H]32)c1Br 2337084838 QHBYUZXIINYLHZ-MGSUKBINSA-N 477.393 5.865 50 10 JKGE Fc1c(Br)cc(Cl)c([C@@H](Br)C23COCC(C2)C3)c1Br 2337089067 TWMSCFTZJUENBV-SKPUXYCPSA-N 477.393 5.867 50 10 JKGE CN(Cc1ccc(Cl)c(I)c1)C1(CBr)CCCCC1 2337226986 FSLFNTJQGVBXRS-UHFFFAOYSA-N 456.593 5.474 50 10 JKGE CCCC(CBr)(CBr)CCc1ccc(OC)cc1Br 2339442406 FJXRIRUDJDQOML-UHFFFAOYSA-N 457.044 5.967 50 10 JKGE Cc1cc(Br)c(F)c(Br)c1[C@H](Br)C[C@H](C)C(C)(C)C 2339646509 ROIZYPRAILUCMR-VHSXEESVSA-N 459.035 7.167 50 10 JKGE Fc1c(Cl)cccc1C[C@H](Br)c1ccc(Cl)cc1I 2340055864 HESGMEMXDYQEDE-NSHDSACASA-N 473.938 6.416 50 10 JKGE C[C@H](Br)C[C@H]1CCCCN1Cc1cc(I)ccc1Cl 2352417674 MFHDYPXUWQVCQS-SMDDNHRTSA-N 456.593 5.473 50 10 JKGE Fc1ccc(Cl)cc1[C@H](Br)c1c(F)cc(Cl)c(Br)c1Cl 2360425244 ANYZESYPCCIIHU-NSHDSACASA-N 465.346 7.172 50 10 JKGE Clc1cccc([C@@H](CBr)OCc2cc(I)ccc2Cl)c1 2380345502 APWZVVJJRKPICE-OAHLLOKOSA-N 485.974 6.251 50 10 JKGE CC(C)(C)c1ccc(C(=O)Nc2ccc(C(=O)N/N=C/c3cc(Cl)cc(Cl)c3O)cc2)cc1 12491781 QDUQKTSIWCALCA-CCVNUDIWSA-N 484.383 6.013 50 10 JKGE COc1ccc(OCCCC(=O)Oc2ccc(/C=C(/C#N)c3ccccc3F)cc2OC)cc1 31901764 NHCORTNPPKMKFJ-SILNSSARSA-N 461.489 5.672 50 10 JKGE COc1ccc(/C(C#N)=C\c2cccc(OC(=O)COc3ccc(Cl)cc3Cl)c2)cc1 31903137 BCLABINAXFFTLN-WQRHYEAKSA-N 454.309 6.051 50 10 JKGE N#C/C(=C/c1ccc(-c2ccc(Br)cc2)o1)C(=O)Nc1cccc(C(F)(F)F)c1 33343628 BIELQQGJNVIQEE-UVTDQMKNSA-N 461.237 6.274 50 10 JKGE N#C/C(=C/c1ccc(-c2cc([N+](=O)[O-])ccc2Cl)o1)C(=O)Nc1cc(C(F)(F)F)ccc1Cl 33517000 BZIJNMCPMYDBOI-XFFZJAGNSA-N 496.228 6.726 50 10 JKGE Cc1cccc(NC(=O)/C(C#N)=C\c2ccc(-n3nc(-c4ccccc4)cc3-c3ccccc3)cc2)c1 33568588 RSGNPYQNJAYCQJ-OOAXWGSJSA-N 480.571 7.060 50 10 JKGE CCCCCN1C(=O)C(C#N)=C(C)/C(=C\c2cn(-c3ccccc3)nc2-c2ccc(OC)cc2C)C1=O 38603816 OKGZQXLEAIJGJM-YZSQISJMSA-N 494.595 5.639 50 10 JKGE CC(C)COc1ccc(C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@@H]3c2ccc([N+](=O)[O-])cc2)cc1 38654817 RKAXFVFMXTZETC-RUZDIDTESA-N 485.496 5.067 50 10 JKGE COc1cc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4cccc(C)c4)ccc32)ccc1OCCC(C)C 38660322 FGDDTGNGXPPZMX-MUUNZHRXSA-N 498.579 5.866 50 10 JKGE CCOc1cccc(-c2nn(-c3ccccc3)cc2/C=C(\C#N)C(=O)NCCc2ccccc2)c1 39850226 QCFXFNXQUBGPPN-HKOYGPOVSA-N 462.553 5.204 50 10 JKGE N#C/C(=C\c1ccc(-c2ccc([N+](=O)[O-])cc2Cl)o1)C(=O)Nc1ccc(OC(F)(F)F)cc1 39884775 SHNQHOIHBYERMO-FMIVXFBMSA-N 477.782 5.952 50 10 JKGE COc1cc(/C=N\NC(=O)CC[C@@H](O)c2ccccc2)cc(Cl)c1OCc1ccccc1F 58889836 JTXWDSYPJNQUKY-HSMHNTNPSA-N 470.928 5.031 50 10 JKGE CCOc1cc(/C=N/NC(=O)c2ccc3c(c2)CN(c2cccc(C(F)(F)F)c2)C3)ccc1O 96563668 GAAYKKKZNQGPRJ-VFLNYLIXSA-N 469.463 5.094 50 10 JKGE Clc1cc2c(cc1[C@@H](Br)c1ccccc1I)OCCO2 109867524 GQRALWMRELVQCL-HNNXBMFYSA-N 465.512 5.200 50 10 JKGE Fc1cc(Cl)ccc1[C@@H](Br)c1cc(Br)sc1Br 109869940 CHZJYYFEEMCXJK-SNVBAGLBSA-N 463.391 6.550 50 10 JKGE COc1cc(C)c(Br)cc1[C@H](Br)c1ccc(Br)c(F)c1 115867198 VGEAYVLJPZROLF-OAHLLOKOSA-N 466.970 6.152 50 10 JKGE Clc1cccc(CC(CBr)(CBr)c2ccc(Br)cc2)c1 118878545 WPDHSXAJWJZPNM-UHFFFAOYSA-N 481.453 6.373 50 10 JKGE Cc1ccc([C@H](Br)c2cc3[nH]c(=O)[nH]c3cc2Br)cc1Br 130471924 WKJZZEWDWYDERM-AWEZNQCLSA-N 474.978 5.174 50 10 JKGE O=C(Br)N1c2ccccc2[C@@H](Br)[C@H](Br)c2ccccc21 136551547 XJGIMRNXFBIKAU-ZIAGYGMSSA-N 459.963 6.225 50 10 JKGE Cc1cc([C@@H](Br)c2ccc(Br)c3ccccc23)ccc1Br 137913772 YHBCZSAZEJQHLF-GOSISDBHSA-N 469.014 7.158 50 10 JKGE Clc1ccc([C@H](CI)OCc2ccccc2Br)cc1 162557114 LZUJIUYUFZKAJL-HNNXBMFYSA-N 451.529 5.795 50 10 JKGE BrCC(CBr)(Cc1cncs1)c1ccccc1Br 165554210 WGYXZZXXHKIZMJ-UHFFFAOYSA-N 454.025 5.176 50 10 JKGE Cc1ccc2nc(-c3ccc(N/C=C(/C#N)C(=O)N[C@H](C)c4ccc5c(c4)CCCC5)cc3)sc2c1 217203682 JISXQCANNMRSEW-SWYXWEQBSA-N 492.648 6.847 50 10 JKGE CCOc1ccc(N/C=C(/C#N)C(=O)Nc2ccccc2Sc2ccccc2)cc1OCC 217243573 ABECGUGNJGKTAB-HNENSFHCSA-N 459.571 6.093 50 10 JKGE COCCOc1ccc([C@H](Cl)c2cc(C)c(Br)s2)cc1Br 229011153 CMHOYHRDPKSFAN-AWEZNQCLSA-N 454.611 5.935 50 10 JKGE O=C(Nc1ccc(CBr)cc1)c1cc(Br)sc1Br 232486586 CXNDHNNMZLHFOL-UHFFFAOYSA-N 453.981 5.420 50 10 JKGE CCOc1ccc2ccccc2c1C=NNC(=O)/C(=C\c1cccs1)NC(=O)c1ccccc1 254742051 SEVDSDKYFIYVMQ-UQKCPXHGSA-N 469.566 5.221 50 10 JKGE CCCCCCCCCCCCCCCC(=O)NN=Cc1ccc(OC(=O)c2ccccc2)cc1 254842048 ZLNHMABQNGSKQV-UHFFFAOYSA-N 478.677 7.837 50 10 JKGE COc1ccc(C=NNC(=O)c2csc3c2CCCC3)cc1COc1cc(F)ccc1[N+](=O)[O-] 254913931 ZVTWHKGCKOKLPL-UHFFFAOYSA-N 483.521 5.026 50 10 JKGE CCCCCC[C@@H](CC1(CCCCCC[C@H](C)B(O)O)c2ccccc2-c2ccccc21)B(O)O 256078363 DMMCBMQLLUBNLM-ZEQRLZLVSA-N 478.291 6.360 50 10 JKGE Clc1sc([C@@H](Cl)c2sccc2I)cc1Br 307422841 IEHWTSGANODUJT-SSDOTTSWSA-N 453.979 6.158 50 10 JKGE Fc1cc([C@@H](Br)c2ccc(I)c(Cl)c2)c(F)c(F)c1F 395623118 YDNJACWQXBMOQS-JTQLQIEISA-N 479.436 5.985 50 10 JKGE CC(C)(C)OC(=O)Nc1ccc([C@H]2CNc3ccccc3N2CCO[Si](C)(C)C(C)(C)C)cc1 616686230 YFPSCZGJLRTPKW-XMMPIXPASA-N 483.729 7.029 50 10 JKGE C[C@H]1CN(Cc2ccccc2)CC[C@H]1n1c(CCl)nc2ccc(F)c(Br)c21 689729689 FBSUGSJKWWKFIV-KBXCAEBGSA-N 450.783 5.760 50 10 JKGE Brc1cc([C@@H](Br)c2ccc(OCc3ccccc3)cc2)cc2c1OCCC2 709759003 PAZYJGBCVIZMOG-QFIPXVFZSA-N 488.219 6.837 50 10 JKGE C[C@@H]1CCN(Cc2ccccc2)C[C@@H]1n1c(CCl)nc2cc(I)c(F)cc21 716299253 JZSOYURNJNMDKL-VLIAUNLRSA-N 497.783 5.602 50 10 JKGE Fc1cc(COc2cccc(Br)c2CBr)ccc1Br 722000904 UMUOVWKDXCHNHV-UHFFFAOYSA-N 452.943 5.825 50 10 JKGE C=CCOc1ccc(C=NNC(=O)c2ccc(-n3c(C)ccc3-c3ccccc3)cc2)cc1OC 1084183341 VFHNZLPZEUSBOE-UHFFFAOYSA-N 465.553 5.790 50 10 JKGE COc1ccc(C=NNC(=O)c2ccc(-c3csc(Nc4ccc(Cl)cc4)n3)cc2)cc1 1084503316 CHMQGCKSEFXQPH-UHFFFAOYSA-N 462.962 5.980 50 10 JKGE CCOc1cc(C=NNC(=O)c2ccc(Cl)c(Cl)c2)ccc1OCc1ccc(F)cc1 1084508205 FKYSTAPYVDLXKC-UHFFFAOYSA-N 461.320 5.874 50 10 JKGE Cc1ccc(-n2c(C)c(Br)c(C=NNC(=O)[C@H](C)SCc3ccccc3)c2C)c(C)c1 1084562034 DRKYEUKHNXTCAQ-FQEVSTJZSA-N 498.490 6.245 50 10 JKGE CCOC(=O)N/N=C1/C=C2CC[C@@H]3[C@H](CC[C@]4(C)[C@H]3C[C@@H]3CCCC[C@@]34C(C)=O)[C@]2(C)CC1 1565534998 ZGBFIPQSPKDRKC-RIENRLTGSA-N 454.655 6.427 50 10 JKGE Cc1cc(OC(=O)c2oc3c(c2C)C(=NNC(=O)COc2ccccc2)CCC3)ccc1Cl 1772750227 XWGSAEKHWDXHQS-UHFFFAOYSA-N 466.921 5.005 50 10 JKGE N#CC1=C(N)Oc2c(c(C(F)(F)F)nn2-c2cccc3ccccc23)[C@H]1c1ccc(Cl)cc1 1865684457 YTCSGMAOJLNYNJ-IBGZPJMESA-N 466.850 5.916 50 10 JKGE CCCc1nn(Cc2ccccc2F)c2c1[C@H](c1c(Cl)cccc1Cl)C(C#N)=C(N)O2 1865686012 QFERVFKAAMIMFD-IBGZPJMESA-N 457.336 5.548 50 10 JKGE COc1ccc(-c2nn(-c3ccccn3)c3c2[C@@H](c2ccc(Cl)c(Cl)c2)C(C#N)=C(N)O3)cc1 1865686537 WYSUBORCRPKURA-NRFANRHFSA-N 490.350 5.468 50 10 JKGE CCCOc1ccc([C@H]2C(C#N)=C(N)Oc3c2c(C)nn3-c2ccc(Cl)cc2)cc1OCC 1865688385 QURSOLFNLIQPER-QHCPKHFHSA-N 464.953 5.240 50 10 JKGE CCCCCOc1ccc([C@H]2C(C#N)=C(N)Oc3c2c(-c2ccc(OC)cc2)nn3CC)cc1 1865694558 ZFMPCBOIBCEUCZ-QHCPKHFHSA-N 458.562 5.366 50 10 JKGE Cc1cccc([C@@H]2C(C#N)=C(N)Oc3c2c(-c2ccccc2)nn3-c2ccc(Cl)c(Cl)c2)c1 1865711106 PWHDOLWAKMPEHX-JOCHJYFZSA-N 473.363 6.373 50 10 JKGE CC(C)(C)c1nc(Nc2ccc(SC#N)cc2)cc(N2CCC[C@@H]2c2nc3c([nH]2)CCCC3)n1 1868342566 WHEUSFJRMBSYOD-OAQYLSRUSA-N 473.650 6.034 50 10 JKGE COc1ccc(-c2csc(/C(C#N)=C(\O)c3ccc4c(c3)C(=O)N(C(C)(C)C)C4=O)n2)cc1 1872746162 VKBMENIIZBASGE-VZCXRCSSSA-N 459.527 5.163 50 10 JKGE CCOc1ccc(-c2csc(/C(C#N)=C(\O)CNC(=O)c3ccc(C(C)(C)C)cc3)n2)cc1 1872747587 KEMOAVHMDCWULN-LNVKXUELSA-N 461.587 5.729 50 10 JKGE CCCOc1ccc(-c2csc(/C(C#N)=C(O)/C(=C/c3ccc(OC)cc3)c3ccccc3)n2)cc1 1872749422 QQDJLVFHUQTJPF-MMMOHEILSA-N 494.616 7.641 50 10 JKGE CC(C)(C)c1ccc(-c2csc(/C(C#N)=C(\O)c3ccc(N4CCCC4)c([N+](=O)[O-])c3)n2)cc1 1872750315 BNKJKYUGMVNNAK-GFMRDNFCSA-N 474.586 6.566 50 10 JKGE Cc1ccc(C(C)(C)C)cc1-c1csc(/C(C#N)=C(\O)c2ccccc2C(=O)c2ccccc2)n1 1872755854 JLYXQSFALWMUHU-FVDSYPCUSA-N 478.617 7.597 50 10 JKGE COc1ccc(/C=C(C(/O)=C(\C#N)c2nc(-c3ccc(Cl)s3)cs2)\c2ccccc2)cc1 1872758229 QNDRSSBDSYGTKE-RHUMIXQQSA-N 477.010 7.567 50 10 JKGE COc1c(Cl)cc(-c2csc(/C(C#N)=C/c3cccc(Br)c3)n2)cc1Cl 1872794759 VKQURJHWZUKEJX-WLRTZDKTSA-N 466.187 6.952 50 10 JKGE CC(C)COc1cccc(/C(O)=C(\C#N)c2nc(-c3ccc(-c4ccccc4)cc3)cs2)c1 1873940695 CTWCQZZCIYWDMQ-RFBIWTDZSA-N 452.579 7.462 50 10 JKGE CCc1cccc(C)c1N1C[C@@H](/C(O)=C(\C#N)c2nc(-c3cccc([N+](=O)[O-])c3)cs2)CC1=O 1873940769 GRFGTLFAVJLCBT-FCFMXISVSA-N 474.542 5.435 50 10 JKGE Clc1cc(I)c([C@H](Br)c2scc(Cl)c2Cl)s1 1900924426 LJNNQKVOMYWISR-LURJTMIESA-N 488.424 6.859 50 10 JKGE BrC[C@H]1CC2(CCCC2)CN1Cc1ccc(Br)cc1Br 1912778310 AYIYAVMZGHDAMN-CQSZACIVSA-N 466.055 5.741 50 10 JKGE Cc1c(Br)sc([C@@H](Cl)c2ccc(S(C)(=O)=O)cc2)c1Br 1922898142 SNQWGVRRIDGEAU-NSHDSACASA-N 458.624 5.313 50 10 JKGE Clc1cc([C@@H](Cl)c2c(Br)sc(Br)c2Cl)c(Cl)s1 1923039514 PAEKFPKAKNEWDC-RXMQYKEDSA-N 475.869 7.623 50 10 JKGE Clc1c(Br)sc(Br)c1[C@H](Br)c1ccc2c(c1)CCCC2 1923070524 BTKMABKVVDIVAO-GFCCVEGCSA-N 499.493 7.290 50 10 JKGE C[C@H]1C[C@@H]([C@@H](Cl)c2c(Br)sc(Br)c2Br)C[C@@H](C)O1 1924612694 CPNRYUJMKSTNTG-NBBQQVJHSA-N 481.475 6.519 50 10 JKGE Clc1sc(Cl)c([C@@H](Br)Cc2ccccc2I)c1Cl 1925624753 YPTFYDGUMBOWMT-ZETCQYMHSA-N 496.422 6.992 50 10 JKGE CC(C)C(CBr)(CBr)Cc1c(Br)cccc1Br 1945326995 JBTKFFBFYKBOBE-UHFFFAOYSA-N 491.887 6.186 50 10 JKGE C[C@H]1C[C@H](C)CC[C@@H]1O[C@@]1(CI)CCCN(C(=O)OC(C)(C)C)C1 1947111282 BUFFGCRNHBJMLF-PASDCYSWSA-N 451.389 5.032 50 10 JKGE COc1cc(Br)c(C)cc1[C@@H](Cl)c1csc(I)c1 2029250569 AHSYGMZBLLSZCK-ZDUSSCGKSA-N 457.558 5.760 50 10 JKGE COc1sc([C@H](Br)c2ccc(Cl)cc2Br)cc1Br 2034628231 CTPFXJHMWBHVEP-LLVKDONJSA-N 475.427 6.419 50 10 JKGE COc1ccc([C@H](Br)c2sc(Cl)cc2Br)cc1Br 2036939463 QRSFGMNQWUULRT-NSHDSACASA-N 475.427 6.419 50 10 JKGE CC[C@@H](Br)CN(C(=O)c1scc(Br)c1Br)C1CC1 2045276532 YGQUDDTVITVWHU-SSDOTTSWSA-N 460.029 5.051 50 10 JKGE C=C1C(=O)O[C@@H]2C[C@@H]3[C@]4(C)CC[C@H]([C@H](C)CCC=C(C)C=O)[C@]4(C)CC[C@]34C[C@@]4(CCC(=O)OC)[C@@H]12 2053639159 FPFAZZFTBDKRJL-DZVZDGLRSA-N 496.688 6.212 50 10 JKGE Cc1c(Br)sc([C@H](Br)[C@@H]2CCC[C@@H]2C(C)C)c1Br 2056447815 KSEGRPIBWWPQMX-CKYFFXLPSA-N 459.085 7.090 50 10 JKGE COc1cc(F)c([C@H](Br)c2cc(Br)cs2)cc1Br 2082783676 UVHQMPFMFMGTPU-LBPRGKRZSA-N 458.972 5.905 50 10 JKGE C[C@@H]1Cc2cc([C@H](Br)c3csc(Br)c3)cc(Br)c2O1 2090467225 LUQDZEJLYDKTMF-UHLUBPPHSA-N 467.020 6.081 50 10 JKGE Clc1c(Br)sc(Br)c1[C@@H](Cl)c1cc2c(s1)CCOC2 2103246189 HNWHGEAOQHLMDD-VIFPVBQESA-N 463.043 6.389 50 10 JKGE Cc1c([C@@H](Br)c2cc(F)c(Br)cc2F)nn(C)c1Br 2111926315 JUOJURLRSFUKPJ-JTQLQIEISA-N 458.926 5.016 50 10 JKGE Clc1ccc(Br)c(COC2(CI)CCCCCC2)c1 2135984231 RYFFKCKSXFKBLN-UHFFFAOYSA-N 457.577 6.147 50 10 JKGE Cc1cc(Br)c(C)c([C@H](Br)[C@@H]2CCOC[C@H]2C)c1Br 2136380914 XDEXKHREZZVCRK-XDMRBOTDSA-N 455.028 5.937 50 10 JKGE Brc1ccc([C@H](Br)c2scc3c2CCCC3)c(Br)c1 2138870684 JZEDRJQEBAXUPH-AWEZNQCLSA-N 465.048 6.636 50 10 JKGE Cl[C@H](c1c(Br)sc(Br)c1Br)C1C[C@H]2COC[C@H](C1)C2 2141801320 UWLVCABSWUEREX-HFJPGXAFSA-N 493.486 6.378 50 10 JKGE Clc1ccc(Br)cc1[C@H](Br)c1cc(Br)c2c(c1)CCO2 2146626800 HDCWVIWWHACKIS-CQSZACIVSA-N 481.409 6.284 50 10 JKGE O=C(NC1(CBr)CC2(CCC2)C1)c1cccc(Br)c1Br 2163546525 IHXFVBQEGILETO-UHFFFAOYSA-N 466.011 5.039 50 10 JKGE BrCC(CBr)(C[C@@]12CC[C@@H](CO1)C2)c1ccccc1Br 2193354539 VCULSHYEYMKZMO-WBMJQRKESA-N 467.039 5.436 50 10 JKGE COc1cc(F)c([C@@H](Br)c2cc(Br)ccc2F)cc1Br 2202904161 NUNMVOXQTDJKRN-AWEZNQCLSA-N 470.933 5.983 50 10 JKGE COc1ccc([C@H](Cl)c2cc(Cl)ccc2I)c(Cl)c1Cl 2203447037 FAWNDGGZYWIAGN-LBPRGKRZSA-N 461.941 6.588 50 10 JKGE Cc1c(Br)ccc([C@@H](Br)C2(c3ccccc3)CC2)c1Br 2203684747 HYYFEDZRYBIJJQ-MRXNPFEDSA-N 459.019 6.688 50 10 JKGE Cc1c(Br)ccc([C@H](Br)C(C2CCC2)C2CCC2)c1Br 2203685175 JEBCEFYEMWXFCS-KRWDZBQOSA-N 465.067 7.172 50 10 JKGE CCCCC[C@H](CC)O[C@](C)(CI)c1ccccc1Br 2207470691 TZLIYRFOAYIBMK-WMLDXEAASA-N 453.202 6.475 50 10 JKGE C[C@@H]1CCC[C@H]([C@@H](Br)c2c(Br)sc(Br)c2Cl)O1 2214323087 DWQTURCLNGORFX-ATRFCDNQSA-N 467.448 6.320 50 10 JKGE COc1ccc([C@@H](Br)c2cc(Br)c(Br)cc2F)s1 2218597008 JATJRKSTDNQZII-LBPRGKRZSA-N 458.972 5.905 50 10 JKGE Clc1cc(Br)ccc1C[C@H](Cl)c1scc(Br)c1Br 2221698075 SCCBRNBDAFTQAJ-JTQLQIEISA-N 493.873 7.212 50 10 JKGE Cc1nn(C)c([C@H](Br)c2c(Cl)sc(Br)c2Cl)c1Cl 2224019461 SPNMFRISAGNBFZ-RXMQYKEDSA-N 453.414 5.997 50 10 JKGE CO[C@@H]1CC[C@H]1C[C@@H](Br)c1c(Br)cc(Cl)c(Cl)c1Cl 2224306395 CEJFOZQHBXXDDL-NYNCVSEMSA-N 451.413 6.660 50 10 JKGE Fc1cc(Br)c(Br)cc1[C@H](Br)[C@@H]1C(F)(F)C12CCC2 2225615127 CXPGFWDRXDPDLX-QWRGUYRKSA-N 462.929 6.222 50 10 JKGE Cc1cc(Br)c([C@H](Br)C[C@]23CCC[C@H]2C3)c(C)c1Br 2227357008 UEESBVYZCKQLRJ-NORZTCDRSA-N 451.040 6.845 50 10 JKGE CCOCc1cc(Br)c([C@H](Br)c2cccc(Br)c2F)s1 2233021534 NLCDSPFLJDCNAB-GFCCVEGCSA-N 487.026 6.433 50 10 JKGE Cc1cc(Br)c([C@H](Br)[C@]23COC[C@H]2C3(F)F)c(C)c1Br 2235597271 BKWYNNXISMFUGO-ICCXJUOJSA-N 474.965 5.546 50 10 JKGE Cc1cc(Br)c([C@H](Br)C2(CC3CCC3)CC2)c(C)c1Br 2235610469 QTDPMGIDTQGRKA-INIZCTEOSA-N 465.067 7.235 50 10 JKGE CCN(C[C@](C)(CI)OCCCC[C@@H]1C[C@H]1C)C(=O)OC(C)(C)C 2248462181 BQZQKJVFZZEIGX-MDZRGWNJSA-N 453.405 5.280 50 10 JKGE Brc1cocc1[C@@H](Br)c1cc(I)cc2c1OCC2 2258141624 AIABAINVGJAWTO-LBPRGKRZSA-N 483.925 5.066 50 10 JKGE Cc1c(Br)sc([C@@H](Br)c2cc(Br)c(F)cc2Cl)c1C 2270460990 LDQDPLFPNPZJRW-NSHDSACASA-N 491.445 7.167 50 10 JKGE COc1ccc([C@@H](Br)c2cc(Br)co2)c(OC)c1Br 2270488921 HCKWXFHHSDYFKS-LLVKDONJSA-N 454.940 5.306 50 10 JKGE Brc1cc(Br)cc(C[C@H](Br)[C@H]2C[C@]23CCCOC3)c1 2277954308 DFFYKTNLSDJVBO-ILXRZTDVSA-N 453.012 5.334 50 10 JKGE COc1ccc(Br)c2c1nc(CCCl)n2C[C@@H](C)COCc1ccccc1 2286081054 OEQAOCZNXFLRLN-OAHLLOKOSA-N 451.792 5.442 50 10 JKGE Cc1cc(C)c(C)c([C@H](Br)Cc2cc(Br)cc(Br)c2)c1 2295330896 BBLPRQJDWNBFJN-QGZVFWFLSA-N 461.035 6.816 50 10 JKGE COC(=O)c1ccc(C(=O)OC)c(NC=C(C#N)c2nc(-c3ccc(Cl)cc3)cs2)c1 2295948597 TWLCYNQUYGHVLA-UHFFFAOYSA-N 453.907 5.013 50 10 JKGE O=C(CSc1nc2ccccc2n1Cc1ccc(Cl)cc1)NN=CC(Cl)=Cc1ccccc1 2297304165 MGTNBGFYTNJVJP-UHFFFAOYSA-N 495.435 6.212 50 10 JKGE C=CCOc1c(I)cc(C=C(C#N)c2nc3ccc(C)cc3[nH]2)cc1OC 2297369663 OFWJWIFMLHPTNW-UHFFFAOYSA-N 471.298 5.114 50 10 JKGE N#CC(=Cc1ccc(-c2ccc(SC(F)F)cc2)s1)C(=O)Nc1cccc(C(F)(F)F)c1 2297398966 NMFIQGLFZVQGTG-UHFFFAOYSA-N 480.483 7.294 50 10 JKGE Cl[C@H](c1ccccc1Br)c1ccc(OCc2ccccc2)cc1Br 2299501488 OOFNAIZARJFIEO-HXUWFJFHSA-N 466.600 7.119 50 10 JKGE Cl[C@@H](c1cccc(OCc2ccccc2)c1)c1ccc(OCc2ccccc2)cc1Br 2299503887 JFZMGNAOJVPFGT-MHZLTWQESA-N 493.828 7.935 50 10 JKGE COCc1ccc([C@@H](Br)c2csc(Br)c2Br)s1 2299904549 NBTQQJYIVGPLBH-VIFPVBQESA-N 461.038 5.965 50 10 JKGE Brc1cc(OCc2ccccc2)ccc1[C@@H](Br)C1CC(C2CCC2)C1 2314444892 NEPMPVFUDIIIFV-IRZJEQJZSA-N 464.241 7.290 50 10 JKGE Brc1cc(OCc2ccccc2)ccc1[C@H](Br)C1(CC2CC2)CCC1 2314448201 FXUPRVLHJUXTDW-NRFANRHFSA-N 464.241 7.435 50 10 JKGE CC1(C)OCCC[C@@H]1[C@H](Br)c1cc(Br)ccc1OCc1ccccc1 2314491396 QWRZNHDPWSAOQX-UYAOXDASSA-N 468.229 6.669 50 10 JKGE Brc1ccc(OCc2ccccc2)c([C@H](Br)C2[C@@H]3CCCCC[C@@H]23)c1 2314503282 QUBFPBITECVACY-HMFYCAOWSA-N 464.241 7.290 50 10 JKGE CCCCCN1C(=O)C(=Cc2ccc(OCc3ccccc3)c(OCC)c2)C(C)=C(C#N)C1=O 2314611551 XAGNUQDIRDBLRN-UHFFFAOYSA-N 458.558 5.447 50 10 JKGE CCOc1ccc(C=C(C#N)C(=O)N(c2ccc(C)cc2)S(=O)(=O)c2ccc(C)cc2)cc1OC 2314777700 QIIXIPWEHPVYDG-UHFFFAOYSA-N 490.581 5.040 50 10 JKGE CCCc1sc(Br)cc1[C@H](Br)c1scc(Br)c1Cl 2316172039 FBKVAQKJFPRLLD-JTQLQIEISA-N 493.511 7.425 50 10 JKGE Fc1cc(C[C@H](Br)c2sc(Cl)cc2I)ccc1Cl 2316601604 VLARQRJPNUIWGR-ZETCQYMHSA-N 479.967 6.477 50 10 JKGE Clc1cc(I)c([C@@H](Br)c2ccc3nsnc3c2)s1 2316771106 JVBVPBSZTFRWBS-JTQLQIEISA-N 471.570 5.495 50 10 JKGE N#CC(=Cc1cc(Br)c(O)c(Br)c1O)c1nc2ccccc2s1 2331025553 MHPOFPSINZIITA-UHFFFAOYSA-N 452.127 5.297 50 10 JKGE Cc1cc(OCC(O)=C(C#N)c2nc(-c3ccc(Cl)cc3Cl)cs2)cc(C)c1Cl 2331251462 UZPGOTDPIHOITC-UHFFFAOYSA-N 465.789 7.259 50 10 JKGE C[C@@H](c1ccccc1)N1C[C@H](C(O)=C(C#N)c2nc(-c3ccc(Br)cc3)cs2)CC1=O 2331260407 DFCCVNWHMIOIAP-MAUKXSAKSA-N 494.414 5.975 50 10 JKGE COc1ccc(-c2csc(C(C#N)=C(O)c3ccc(N4C(=O)c5ccccc5C4=O)cc3)n2)cc1 2331273852 WPJCSUDRXLNDJM-UHFFFAOYSA-N 479.517 5.569 50 10 JKGE CCOc1ccc(-c2csc(C(C#N)=C(O)[C@@H]3CC(=O)N(c4cc(Cl)ccc4OC)C3)n2)cc1 2331305609 YPQDOLPZNOWXFO-MRXNPFEDSA-N 495.988 5.717 50 10 JKGE COc1ccc(OCC(O)=C(C#N)c2nc(-c3ccc(F)c(C)c3)cs2)c(C(C)(C)C)c1 2331320745 ZTHUSKZJYYAKPQ-UHFFFAOYSA-N 452.551 6.435 50 10 JKGE COc1cc(C)c(-c2csc(C(C#N)=C(O)C=Cc3ccc4c(c3)OCCO4)n2)cc1C(C)C 2331353904 KMSXETTYKQOMPR-UHFFFAOYSA-N 474.582 6.528 50 10 JKGE COc1ccc(-c2csc(C(C#N)=C(O)c3cccc(Oc4ccccc4)c3)n2)c(C)c1C 2331362930 VVPNDSFNNAKUOB-UHFFFAOYSA-N 454.551 7.178 50 10 JKGE CC(F)(F)C1([C@H](Br)c2c(Cl)cc(Br)c(F)c2Br)CC1 2337081655 AHZOICJOCFNQAT-SNVBAGLBSA-N 485.363 6.876 50 10 JKGE ClCc1cc(OCc2cc(Br)cc(Br)c2)ncc1Br 2337102382 PLXFTQQKIGUSER-UHFFFAOYSA-N 470.386 5.687 50 10 JKGE COc1ccc(C[C@H](Br)c2cc(Br)c(Cl)s2)c(Br)c1 2338832162 XHWOMLWIKDGRLP-JTQLQIEISA-N 489.454 6.614 50 10 JKGE CCc1cscc1[C@@H](Br)c1c(C)cc(Br)c(F)c1Br 2339655226 XVQVIKHTJGIQLC-GFCCVEGCSA-N 471.027 6.767 50 10 JKGE Clc1cc(CN2C[C@@H]3CCC[C@@](CBr)(C3)C2)ccc1I 2358350950 CZRZYTLDIWOTBM-CJNGLKHVSA-N 468.604 5.332 50 10 JKGE Fc1c(Br)cc(Cl)c([C@H](Cl)c2cc3cscc3s2)c1Br 2362226170 XBPOPEOYLUSGBW-GFCCVEGCSA-N 475.029 7.609 50 10 JKGE Fc1c(Br)cc(Cl)c([C@@H](Br)[C@@H]2OC[C@@H]3CCC[C@@H]32)c1Br 2362230609 ALVYVFVSGPHKHL-LTGHRUORSA-N 491.420 6.255 50 10 JKGE Cc1cc(Br)c(F)c(Br)c1[C@H](Br)[C@]12C[C@H](CO1)C2(C)C 2365227490 GPQLASXKDMWBFY-AFEMSUNCSA-N 471.002 5.910 50 10 JKGE Cc1cccc(CS/C(Nc2cc(Cl)ccc2C)=C(\C#N)S(=O)(=O)c2ccccc2)c1 20325336 XZCRBWCXGWNEAF-WCWDXBQESA-N 469.031 6.469 50 10 JKGE O=C(N/N=C/c1ccc(N2N=C(/C=C/c3ccccc3)C[C@H]2c2ccccc2)cc1)c1ccc(F)cc1 20616398 OCOSQSRNZUSUKT-WPDAYNINSA-N 488.566 6.610 50 10 JKGE N#C/C(C(=O)Nc1ccc(F)cc1)=C1/S[C@H](Cc2ccccc2)C(=O)N1c1ccc(F)cc1 33468251 CXLDKRGMOTWJPM-CKVBZJJFSA-N 461.493 5.030 50 10 JKGE N#C/C(=C/c1ccc(-c2cccc(Cl)c2Cl)o1)C(=O)Nc1ccc([N+](=O)[O-])cc1C(F)(F)F 33930446 UEOCVUIJVQFFIW-FLIBITNWSA-N 496.228 6.726 50 10 JKGE CCOc1ccccc1[C@H]1C(C#N)=C(N)Oc2cc(OC(=O)c3ccc(OC(C)C)cc3)ccc21 38650509 ZETLOQYEQKPQFU-AREMUKBSSA-N 470.525 5.310 50 10 JKGE COc1ccc(OCC(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@H]3c2ccc(Cl)cc2Cl)cc1 38655329 STLASURLVXZJFV-DEOSSOPVSA-N 497.334 5.205 50 10 JKGE N#CC1=C(N)Oc2cc(OC(=O)c3cccs3)ccc2[C@H]1c1cccc(Oc2ccccc2)c1 38660830 UVBQMKVWBTWVQQ-RUZDIDTESA-N 466.518 5.978 50 10 JKGE CSc1ccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)COc4ccc(Cl)c(C)c4)ccc32)cc1 38682470 YJQBNSYYMULBCH-RUZDIDTESA-N 492.984 5.573 50 10 JKGE O=C(NNc1ncnc(Oc2cccc3ccccc23)c1[N+](=O)[O-])c1ccc(Cl)cc1Cl 40583529 VJJSZWQGTORUDC-UHFFFAOYSA-N 470.272 5.394 50 10 JKGE O=C(CC[C@@H](O)c1ccccc1)N/N=C\c1ccc(OCc2ccc(Cl)cc2Cl)cc1 58886477 KBHKMPHPJRLQSG-RWCDGHBOSA-N 457.357 5.536 50 10 JKGE C[C@H](SCc1ccccc1)C(=O)N/N=C1/C(=O)N(Cc2cccc3ccccc23)c2ccccc21 59161401 XYORGCOYLUPYIY-MDIWGUTBSA-N 479.605 5.529 50 10 JKGE CCOc1cc(/C=C(\C#N)C(=O)NC2CCCC2)ccc1OCc1ccc(Cl)c(Cl)c1 59224977 UOGZOJFULOYQGH-WOJGMQOQSA-N 459.373 5.937 50 10 JKGE Cc1cccc(NC(=O)N/N=C/c2cc(Br)c(Sc3ccc(Cl)cc3)o2)c1C 59302048 VNNVDUKEIXIMHC-FOKLQQMPSA-N 478.799 6.619 50 10 JKGE O=C(N/N=C/c1ccc(Sc2nc3ccc([N+](=O)[O-])cc3s2)c([N+](=O)[O-])c1)c1ccccc1F 59501326 BZNVYHHJDYYBIB-FOKLQQMPSA-N 497.489 5.167 50 10 JKGE COC(=O)c1ccsc1NC(=O)/C(C#N)=C\c1cn(Cc2ccccc2)nc1-c1ccc(OC)cc1 96438563 RVKUAEQFADCTOB-ZHZULCJRSA-N 498.564 5.001 50 10 JKGE COc1cc(/C=C(/C#N)c2ccccc2)c(Br)cc1OCc1ccc(Br)cc1 96544498 FBHWGWRIFJWXTD-ODLFYWEKSA-N 499.202 6.863 50 10 JKGE Cc1cccc(C(=O)Nc2ccc(C(=O)N/N=C/c3cc(Cl)cc(Br)c3O)cc2)c1 97729875 TXJBEJUKWMXLDB-BRJLIKDPSA-N 486.753 5.133 50 10 JKGE O=C(O/C(=C/[P+](c1ccccc1)(c1ccccc1)c1ccccc1)c1ccccc1)c1ccccc1 97980954 GOTZURKUKIHJGI-HMZBKAONSA-N 485.543 6.836 50 10 JKGE COc1ccc2[nH]c3c(c2c1)CCN(C(=O)C(Cl)Cl)[C@@H]3c1cccc(C(F)(F)F)c1 103041428 APHHDMBVBVWYCX-GOSISDBHSA-N 457.279 5.473 50 10 JKGE CCOc1ccc([C@@H](Br)c2cccc(I)c2)cc1OCC 109852405 AHICMFLEIDDHNE-KRWDZBQOSA-N 461.137 5.573 50 10 JKGE Cc1cc(Cl)cc([C@@H](Br)c2cc(Br)c(C)cc2Br)c1 128806789 BWZIHNJIBFDRHB-OAHLLOKOSA-N 467.426 6.966 50 10 JKGE CC(C)(C)c1ccc(/C=N\NC(=O)c2cccn(Cc3ccc(Cl)c(Cl)c3)c2=O)cc1 169920488 GKKVBNBXTRCNIF-VYYCAZPPSA-N 456.373 5.265 50 10 JKGE BrCC(CBr)(Cc1cc(Br)cc2c1OCC2)C1CCCC1 228557102 SKUSAWUDLGJITN-UHFFFAOYSA-N 481.066 5.893 50 10 JKGE Clc1ccc([C@@H](Br)c2ccc(I)c(Cl)c2)c(Cl)c1 232343728 XHOOXFXDHIOUGU-ZDUSSCGKSA-N 476.366 6.736 50 10 JKGE Brc1cc(Br)cc([C@H](Br)Cc2nc3ccccc3s2)c1 232480460 GEJOMQJQJMKSSF-GFCCVEGCSA-N 476.031 6.500 50 10 JKGE COc1ccc([C@@H](Cl)c2cc(I)ccc2Br)cc1C 234979865 VRCPTDWKRKHMMF-OAHLLOKOSA-N 451.529 5.699 50 10 JKGE Cc1cc(C)c([C@@H](Br)c2cc(Br)ccc2I)s1 235861970 WOUGFOHQEKGDGA-LBPRGKRZSA-N 486.010 6.216 50 10 JKGE Cl[C@@H](c1ccc2c(c1)CCCC2)c1cc(Br)ccc1I 236038501 MFVYUVBDKDBQMD-KRWDZBQOSA-N 461.568 6.261 50 10 JKGE Cc1cccc(C(=O)Oc2ccc(C=NNC(=O)C(Oc3ccccc3)Oc3ccccc3)cc2)c1 254305688 VDOBFZSVIZPVRT-UHFFFAOYSA-N 480.520 5.148 50 10 JKGE Cc1ccc(OCC(=O)NN=Cc2ccc(N(c3ccccc3)c3ccccc3)cc2)c(C(C)C)c1 254383210 DJJZYLYZMDBMPS-UHFFFAOYSA-N 477.608 7.117 50 10 JKGE COc1cc(C=NNC(=O)[C@@H]2[C@@H]3CCCC[C@@]32C)ccc1OCc1ccc(Br)cc1 254486565 HKLUFKGORBVYLG-APTRMMRNSA-N 471.395 5.313 50 10 JKGE COc1cc(C=NNC(=O)CCn2c(-c3ccccc3)c(-c3ccccc3)c3ccccc32)ccc1O 254658048 LGKRJMLZHPDOCO-UHFFFAOYSA-N 489.575 6.230 50 10 JKGE Cc1cc(C=NNC(=O)c2cc3ccccc3o2)c(C)n1-c1ccc(C23CC4CC(CC(C4)C2)C3)cc1 254703433 WMQPFDLXXWCEJE-UHFFFAOYSA-N 491.635 7.072 50 10 JKGE CCCCOc1ccc(OCC(=O)NN=Cc2c(OC(=O)c3ccccc3)ccc3ccccc23)cc1 254827086 HSTGAKRXCUHVIG-UHFFFAOYSA-N 496.563 5.767 50 10 JKGE Cc1ccc(-c2nn(-c3ccccc3)cc2C=NNC(=O)CSc2cc(C)nc3ccccc23)cc1 254838365 DXXINZFABLIGHS-UHFFFAOYSA-N 491.620 5.947 50 10 JKGE CCOC(=O)c1ccc(-n2c(C)cc(C=NNC(=O)Cc3cccc4ccccc34)c2C)cc1 254839632 DIZJMYSVXBVADG-UHFFFAOYSA-N 453.542 5.117 50 10 JKGE CC(=NNC(=O)c1ccccc1NS(=O)(=O)c1cccs1)c1cc(Cl)ccc1Cl 254873645 CDBODNYMHHXFJP-UHFFFAOYSA-N 468.387 5.010 50 10 JKGE Cc1nc(COc2c(Br)cc(Br)cc2CBr)sc1C 311978397 OCMLRSDPFUABNB-UHFFFAOYSA-N 470.024 5.759 50 10 JKGE ClCc1nc2cccc(Cl)c2n1-c1ccc(I)c(Br)c1 312396293 LJJSGJBXDOZMBV-UHFFFAOYSA-N 481.946 5.785 50 10 JKGE C[C@H](Cl)c1nc2cc(Br)c(F)cc2n1[C@@H]1CCN(Cc2ccccc2)[C@@H]1C 380531153 UAGMBQYGZFFVTG-IQUTYRLHSA-N 450.783 6.073 50 10 JKGE Clc1cc(Br)c(OCc2ccc(Cl)c(Cl)c2)c(CBr)c1 708110229 AKTZWQPHUWSVDB-UHFFFAOYSA-N 459.392 6.883 50 10 JKGE C[C@@H]1Cc2cc(Br)cc([C@H](Br)c3ccccc3OCc3ccccc3)c2O1 720037580 BSFFQPIJOFQELC-IVZQSRNASA-N 488.219 6.836 50 10 JKGE Cc1cc(Cl)c([C@H](Br)c2cccc(F)c2I)cc1C 721684655 PCCBKWQETBKQBN-CQSZACIVSA-N 453.520 6.185 50 10 JKGE COc1ccc(Cl)cc1[C@@H](Br)c1cccc(F)c1I 721691036 JEYIQKDHFNQHON-ZDUSSCGKSA-N 455.492 5.577 50 10 JKGE N#C/C(=C/c1cn(Cc2ccccc2Cl)c2ccccc12)C(=O)Nc1ccc(Cl)c(Cl)c1 1084027884 POLOETIVQDJSQJ-BOPFTXTBSA-N 480.782 7.195 50 10 JKGE COc1cc(/C=C(/C#N)C(=O)Nc2cc(C)ccc2C)c([N+](=O)[O-])cc1OCc1ccccc1 1084158505 HKDZPHPBAJPJRT-MTJSOVHGSA-N 457.486 5.345 50 10 JKGE CC(=NNC(=O)[C@@H](C)Sc1ccccc1)c1ccc2c(c1)[C@@H]1C=CC[C@@H]1[C@H](c1ccccc1)N2 1084362656 QZBNTNJJGNFPJL-RMTAXLCSSA-N 467.638 6.534 50 10 JKGE N#C/C(=C/c1cc(Cl)ccc1OCc1ccc(Cl)cc1)C(=O)Nc1ccc(Cl)c(Cl)c1 1084433436 NTEHFHTZXFZOAR-SXGWCWSVSA-N 492.189 7.425 50 10 JKGE Cc1cc(OC(=O)c2oc3c(c2C)C(=NNC(=O)c2ccc(O)cc2)CCC3)cc(C)c1Cl 1772744788 JULVYIKADSPDBX-UHFFFAOYSA-N 466.921 5.253 50 10 JKGE CC[C@H](Br)C(=O)N1CCC2(C=Cc3ccc(OCc4ccccc4)cc3O2)CC1 1859495247 CAXSBIDBXSEKIF-NRFANRHFSA-N 456.380 5.206 50 10 JKGE Cc1nn(Cc2c(F)cccc2Cl)c2c1[C@@H](c1ccc(C(C)(C)C)cc1)C(C#N)=C(N)O2 1865682243 JSINRRXUJHVBAA-QFIPXVFZSA-N 450.945 5.548 50 10 JKGE CC(C)(C)c1ccc([C@@H]2C(C#N)=C(N)Oc3c2c(-c2ccccc2)nn3Cc2ccc(Cl)cc2)cc1 1865682702 VXIGHTNAGVLESY-RUZDIDTESA-N 495.026 6.767 50 10 JKGE N#CC1=C(N)Oc2c(c(-c3ccccc3)nn2Cc2ccccc2Cl)[C@H]1c1cc(Cl)ccc1O 1865689093 JRWLLDMFASBEMV-QFIPXVFZSA-N 489.362 5.829 50 10 JKGE CCCCOc1ccc([C@@H]2C(C#N)=C(N)Oc3c2c(-c2ccc(OC)cc2)nn3CC(C)C)cc1 1865689687 CKWBTIPZCJPJGG-XMMPIXPASA-N 472.589 5.612 50 10 JKGE CCOc1cccc([C@@H]2C(C#N)=C(N)Oc3c2c(-c2ccc(OC)cc2)nn3-c2ccccc2)c1 1865689739 DMWNHEPOJSHDGE-XMMPIXPASA-N 464.525 5.165 50 10 JKGE Cc1ccc(COc2ccc([C@@H]3C(C#N)=C(N)Oc4c3c(C)nn4-c3ccccc3Cl)cc2)cc1 1865693108 LDYATGNHXXZCBA-AREMUKBSSA-N 482.971 5.940 50 10 JKGE N#CC1=C(N)Oc2c(c(-c3ccccc3)nn2-c2ccccc2)[C@@H]1c1ccc(Cl)c([N+](=O)[O-])c1 1865705741 DNBHNGLBTVJPBY-OAQYLSRUSA-N 469.888 5.319 50 10 JKGE COc1ccccc1[C@H]1C(C#N)=C(N)Oc2c1c(-c1ccccc1)nn2-c1cccc(Cl)c1 1865710429 XWXZSZSXEZKKPH-QFIPXVFZSA-N 454.917 5.419 50 10 JKGE COc1ccc([C@H]2C(C#N)=C(N)Oc3c2c(-c2ccccc2)nn3-c2cccc3ccccc23)cc1 1865713051 PQEITJCPHUVHMO-SANMLTNESA-N 470.532 5.919 50 10 JKGE Cc1nn(Cc2ccccc2)c2c1[C@H](NC(=O)/C(C#N)=C/c1ccc(Br)cc1)CCC2 1866128794 MKDJOSXYAVWMNZ-VOSMRYOYSA-N 475.390 5.103 50 10 JKGE COc1ccc(F)cc1-c1cc(C)ccc1NC(=O)/C(C#N)=C/c1ccc(Br)cc1 1866128933 UCHXEZABKXDMPU-SFQUDFHCSA-N 465.322 6.118 50 10 JKGE CCOC(=O)c1sc(NC(=O)/C(C#N)=C/c2cccc(Br)c2)nc1-c1ccccc1 1866131939 VACUFCPDEHXXFB-LFIBNONCSA-N 482.359 5.295 50 10 JKGE CC(C)(C)c1nc(Nc2ccc(SC#N)cc2)cc(N2CC[C@H](c3ccc4c(c3)OCO4)C2)n1 1868342729 YIFJFHZYIIANFZ-SFHVURJKSA-N 473.602 5.813 50 10 JKGE C[C@H]1Cc2ccccc2N(c2cc(Nc3ccc(SC#N)cc3)nc(-c3ccccc3Cl)n2)C1 1868415315 XUDBDYPCHKYTDT-SFHVURJKSA-N 484.028 7.444 50 10 JKGE COc1ccc(Oc2c(C(F)(F)F)oc3cc(OCc4ccc(CCl)cc4)ccc3c2=O)cc1 1871437949 ICVXSEVQGQZWBX-UHFFFAOYSA-N 490.861 6.931 50 10 JKGE CCc1ccc(-c2csc(/C(C#N)=C(\O)c3ccccc3I)n2)cc1 1872744262 JUPNEWUYBQKYMW-MNDPQUGUSA-N 458.324 5.927 50 10 JKGE CC(C)C[C@H](/C(O)=C(\C#N)c1nc(-c2ccc(C(C)C)cc2)cs1)N1C(=O)c2ccccc2C1=O 1872751694 AWPHMPAQANDBQX-FOSWXRMZSA-N 485.609 6.437 50 10 JKGE CC(C)(C)c1ccc(C(=O)NC/C(O)=C(\C#N)c2nc(-c3c[nH]c4ccccc34)cs2)cc1 1872753441 XDTBAUHKOLAACO-NMWGTECJSA-N 456.571 5.812 50 10 JKGE Cc1ccc(C(C)(C)C)cc1-c1csc(/C(C#N)=C/c2ccc(OCc3ccc(Cl)cc3)cc2)n1 1872793936 BEPKHWCZTIUPPF-HZHRSRAPSA-N 499.079 8.713 50 10 JKGE N#C/C(=C(/O)c1ccccc1I)c1nc(-c2cccc([N+](=O)[O-])c2)cs1 1873940950 OQQFUSPCBVNJPZ-VKAVYKQESA-N 475.267 5.273 50 10 JKGE CC(C)(C)N1C(=O)c2ccc(/C(O)=C(\C#N)c3nc(-c4ccc5ccccc5c4)cs3)cc2C1=O 1873941078 VJUOGQNRAQTCQV-GYHWCHFESA-N 479.561 6.308 50 10 JKGE Cc1cc(I)c(OCCCCCI)cc1Cl 1900065284 BGMPPLFRADXZCD-UHFFFAOYSA-N 464.512 5.237 50 10 JKGE C[C@@](CCl)(CI)OCc1cc(Br)cc(Br)c1 1900367798 RUXBBNDFZHCFKS-LLVKDONJSA-N 482.381 5.161 50 10 JKGE Cc1nsc(Br)c1[C@@H](Br)c1cc(Br)cc2c1O[C@@H](C)C2 1912934532 ZPWUNWLHUYGJPH-QTTZVWFDSA-N 482.035 5.784 50 10 JKGE Cc1nsc(Br)c1[C@H](Br)c1cc(Br)cc2c1OCC2 1912977561 YXIKGJKUQICCAX-LLVKDONJSA-N 468.008 5.396 50 10 JKGE CCc1nn(CC)c(CN(Cc2ccccc2)[C@@H](CBr)C(C)C)c1Br 1915272900 ZFDRBBCGQHAYNL-SFHVURJKSA-N 471.281 5.650 50 10 JKGE Cc1cc(Br)cc(C(=O)N(Cc2ccccc2)[C@@H](CBr)C2CC2)c1 1915313927 PWEFRBPXXPAPEM-IBGZPJMESA-N 451.202 5.573 50 10 JKGE Brc1cccc(Br)c1CN1CC[C@@]2(CCC[C@H]2Br)C1 1918937021 UGWASWPOLLEVFU-CABCVRRESA-N 452.028 5.351 50 10 JKGE FC(F)[C@H](Br)c1c(Br)sc(Br)c1Br 1924575992 IJQCYRZGYVWTMD-GSVOUGTGSA-N 463.761 5.737 50 10 JKGE Clc1c(Br)ccc(CBr)c1N(Cc1ccccc1)CC1CCCC1 1948742391 ZMBJBPUQSWUVCI-UHFFFAOYSA-N 471.664 7.194 50 10 JKGE Cl[C@H](c1cc(I)sn1)c1ccc(Br)cc1Br 1994121495 AQTWIAKAIBRKRZ-JTQLQIEISA-N 493.389 5.601 50 10 JKGE C[C@@H](N(Cc1ccccc1)c1cc(Br)cc(F)c1CBr)C(C)(C)C 2004047957 WZDVTWGLFYKORL-CQSZACIVSA-N 457.225 6.924 50 10 JKGE C[C@]1([C@@H](Cl)c2c(Br)sc(Br)c2Br)CCCCO1 2021893443 LHZZNNZJOVJHDW-GZMMTYOYSA-N 467.448 6.275 50 10 JKGE Fc1cc([C@H](Cl)c2csc(Br)c2Br)c(F)cc1Br 2032958683 JVHPUQGUMYEQDL-JTQLQIEISA-N 481.381 6.642 50 10 JKGE COc1cc(F)c(Br)cc1[C@@H](Br)c1cc(Br)sn1 2056492516 YXFDJCDJWYIBHL-LLVKDONJSA-N 459.960 5.300 50 10 JKGE COc1ccc([C@@H](Br)c2csc(I)c2)c(Cl)c1Cl 2083146444 RFNVGSIMUBOCJV-JTQLQIEISA-N 477.976 6.152 50 10 JKGE Cc1cc([C@@H](Br)c2ccc(Cl)c(Cl)c2)ccc1I 2086039847 QFIYWQJCERDFGB-CQSZACIVSA-N 455.948 6.391 50 10 JKGE Brc1ccc(CN2C[C@@H]3CC[C@H](Br)C[C@H]3C2)c(Br)c1 2092266736 MXINEGRTENSAKG-DRZSPHRISA-N 452.028 5.207 50 10 JKGE COc1cc(Br)c(C)cc1[C@@H](Br)c1scc(C)c1Br 2100808582 ICLISQJNLUCNQD-CYBMUJFWSA-N 469.036 6.383 50 10 JKGE Cc1cc(Br)c([C@H](Br)C23CCOC(C)(C2)C3)cc1Br 2108693105 CSFKDCGOPJFONV-NFOMZHRRSA-N 453.012 5.915 50 10 JKGE Cl[C@@H](c1c(Br)sc(Br)c1Br)[C@@H]1CC2(CCCC2)CO1 2109977108 ADZYRXHSOZDNTG-OIBJUYFYSA-N 493.486 6.665 50 10 JKGE CC[C@@H](Br)[C@@H]1CCCCN1Cc1cccc(Br)c1Br 2114190843 WVAIECUXXPRKMZ-OCCSQVGLSA-N 454.044 5.740 50 10 JKGE O=C(c1cc(Br)sc1Br)N(CCBr)Cc1cccs1 2114641724 YWWJSAOEWLKXIL-UHFFFAOYSA-N 488.064 5.372 50 10 JKGE CC(C)[C@H](C)N(Cc1ccccc1)S(=O)(=O)c1ccc(Cl)c(CBr)c1Cl 2123252823 UYTSWCDOAQQCFG-AWEZNQCLSA-N 479.267 6.124 50 10 JKGE C[C@@](CCl)(Nc1ncc(I)cc1Br)c1ccccc1 2133371159 HCZUJGOHTHZSGT-AWEZNQCLSA-N 451.533 5.015 50 10 JKGE Cc1cc(Br)c(C)c([C@H](Br)C23CCC(CC2)O3)c1Br 2136382545 UAKGOLQLMGWTAI-CUMGRINNSA-N 453.012 5.976 50 10 JKGE Cc1c(Br)cc2c(c1Br)CC[C@@H](C(F)(F)F)C[C@@H]2Br 2138864464 KXEVKDRMEGJRMA-HQJQHLMTSA-N 464.945 6.471 50 10 JKGE Cc1c(Br)ccc([C@H](Cl)c2ccc(Cl)c(Br)c2)c1Br 2138866861 VQPPNKYAOUBFMT-CQSZACIVSA-N 487.844 7.264 50 10 JKGE Cc1cc(F)c(F)cc1[C@@H](Cl)c1cc(Br)ccc1I 2139630747 PGFWKWTUSUTUFB-CQSZACIVSA-N 457.483 5.969 50 10 JKGE C[C@]1(F)CN(c2c(CBr)ccc(Br)c2Cl)C[C@]1(C)Br 2140745120 YJXOGDUVZQAVIV-STQMWFEESA-N 478.425 5.699 50 10 JKGE COc1c(C)cc(Br)cc1[C@@H](Br)c1cc(C)sc1Br 2141638935 GZFDBFNXQPPMTC-GFCCVEGCSA-N 469.036 6.383 50 10 JKGE BrCCC[C@H]1CCCCN1Cc1ccc(Br)cc1Br 2141714224 GEXZBASQQHCSRX-CQSZACIVSA-N 454.044 5.741 50 10 JKGE CCOc1ccc([C@@H](Br)c2ccc(Br)cc2I)cc1 2142288550 STYCHVLBYCQGTB-OAHLLOKOSA-N 495.980 5.937 50 10 JKGE Cc1cc(F)c([C@@H](Cl)c2ccc(Br)cc2I)cc1C 2142291127 IWQAQOGQKIHFHF-HNNXBMFYSA-N 453.520 6.138 50 10 JKGE Brc1cccc(Br)c1C[C@@H]1CCc2ccccc2[C@H]1Br 2150493668 MINCYGUGENGFNJ-SJCJKPOMSA-N 459.019 6.453 50 10 JKGE Cn1nc([C@@H](Cl)c2cc(Cl)c(Cl)c(Cl)c2Cl)c(Br)c1Cl 2167041278 ASLQDGCCTUERAZ-ZETCQYMHSA-N 457.797 6.778 50 10 JKGE Cl[C@H](Cc1ccc2c(c1)CCO2)c1ccc(I)c(Br)c1 2168659290 HPAOPRTXBXUPMX-CQSZACIVSA-N 463.540 5.511 50 10 JKGE COC1(C[C@@H](Br)c2cc(I)cc3c2OCC3)CCCC1 2168907236 OQEDBBMVMJJQIX-CQSZACIVSA-N 451.142 5.011 50 10 JKGE Fc1c(Br)ccc(CC[C@H](Br)c2ccc(Br)cc2)c1F 2169789980 SUQHBZFFDFMWBX-LBPRGKRZSA-N 468.961 6.559 50 10 JKGE COCCOc1ccc([C@@H](Br)c2cc(Br)sn2)cc1Br 2176537896 KCUAONWUJVDVGK-CYBMUJFWSA-N 486.023 5.178 50 10 JKGE CC(C)(C)OC(=O)NCCSSCCN[C@H](c1cccs1)c1ccc(Cl)s1 2181748381 UVVSFKYAOORJFP-MRXNPFEDSA-N 465.131 6.048 50 10 JKGE Cc1ccc([C@H](Br)Cc2ccc(Br)cc2Cl)cc1Br 2229151611 NUNGOVAHIIKSFK-CQSZACIVSA-N 467.426 6.852 50 10 JKGE Fc1cc(Br)c(Br)cc1[C@H](Br)C1CC2(C1)CC(F)(F)C2 2233977524 VVDOVQRHQJWLLX-GFCCVEGCSA-N 476.956 6.612 50 10 JKGE Cc1cc(Br)c([C@@H](Br)Cc2cccc(F)c2)c(C)c1Br 2235604266 NCZZRFJGHXPPGY-AWEZNQCLSA-N 464.998 6.646 50 10 JKGE COc1cc(Br)c([C@H](Br)c2ccc(Br)cc2C)cc1C 2236012126 UAHZNHBPBIMKHG-MRXNPFEDSA-N 463.007 6.321 50 10 JKGE Cc1sc(Br)c([C@@H](Cl)c2ccc(Cl)c(I)c2)c1C 2256337980 UYNGDPBHYVXIDN-LBPRGKRZSA-N 476.004 6.714 50 10 JKGE CC(C)CN(C[C@H](C)Br)C(=O)c1cc(Br)sc1Br 2259767705 CKKIWLJIUIQTGE-QMMMGPOBSA-N 462.045 5.155 50 10 JKGE Cc1cscc1[C@@H](Br)c1c(F)cc(Br)c(F)c1Br 2260073205 IJYPLXDODRAVCM-SNVBAGLBSA-N 460.963 6.344 50 10 JKGE COC1([C@@H](Br)c2cc(Br)c(C)cc2Br)CC(CF)C1 2266429783 ULEAAHBIKMJBJD-IMXVTNBVSA-N 458.991 5.721 50 10 JKGE COc1ccc([C@H](Br)c2cc(C)sc2Br)c(Br)c1Cl 2268281209 UVJOEEJEXKLGFM-JTQLQIEISA-N 489.454 6.728 50 10 JKGE Brc1cc(Br)cc(C[C@H](Br)c2ncn3ccsc23)c1 2277892667 VTFJHNXSGURMCJ-NSHDSACASA-N 465.008 5.600 50 10 JKGE Brc1cc(Br)cc(C[C@@H](Br)C2CC(CC3CC3)C2)c1 2277958036 ZTMRSVVIQBZGHD-IJGSQOGDSA-N 451.040 6.344 50 10 JKGE Brc1cc(Br)cc(C[C@H](Br)[C@@H]2[C@H]3CCCCC[C@H]32)c1 2277965897 ONIIEGCJBIUHHG-XUWVNRHRSA-N 451.040 6.344 50 10 JKGE COc1cc(OC)c([C@@H](Br)c2sncc2Br)cc1Br 2278016909 JMOMMTFRUYIKJG-LLVKDONJSA-N 471.996 5.170 50 10 JKGE O=C(Nc1cccc(CCBr)c1)c1ccc(Cl)c(I)c1 2283666055 YBQYGHSCTYTEJC-UHFFFAOYSA-N 464.528 5.134 50 10 JKGE Fc1ccc(F)c([C@H](Br)Cc2cc(Br)cc(Br)c2)c1F 2295340131 RLWFGZGKXJLZFL-SNVBAGLBSA-N 472.924 6.308 50 10 JKGE CCOc1ccccc1NC=C(C#N)c1nc(-c2cc3cc(Br)ccc3oc2=O)cs1 2295902665 JPBDPGIXLWPETI-UHFFFAOYSA-N 494.370 6.054 50 10 JKGE COc1ccc(-c2nn(-c3ccccc3)cc2C=C(C#N)C(=O)Nc2ccc(C)cc2)cc1F 2296715266 BABZOWKKQRYPGC-UHFFFAOYSA-N 452.489 5.541 50 10 JKGE COc1cc(C=C(C#N)c2nn(-c3ccccc3)c(N)c2C#N)ccc1OCc1ccc(C)cc1 2296737819 XFSBQPAWIXXTSP-UHFFFAOYSA-N 461.525 5.286 50 10 JKGE CCc1cccc(CC)c1NC(SCc1ccccc1Cl)=C(C#N)S(=O)(=O)c1ccccc1 2297350128 YEHLZEVKAKKBFO-UHFFFAOYSA-N 497.085 6.977 50 10 JKGE Cc1cc([C@@H](Br)c2ccc(OCc3ccccc3)cc2Br)c(C)o1 2299498442 UTNZVECLMATODP-FQEVSTJZSA-N 450.170 6.722 50 10 JKGE COC1([C@H](Br)c2cc(Br)ccc2OCc2ccccc2)CC(C)C1 2299527167 FFVLZNBWKLFIGG-JFUAUVDRSA-N 454.202 6.279 50 10 JKGE C[C@@H]1C[C@@H]([C@@H](Br)c2ccc(OCc3ccccc3)cc2Br)CCO1 2299532359 GCRODLNTBGAGDK-PTSWNOGYSA-N 454.202 6.279 50 10 JKGE Fc1cc(Br)ccc1[C@H](Cl)c1sc(Cl)cc1I 2301086775 REJRXCVKYMAQKV-JTQLQIEISA-N 465.940 6.236 50 10 JKGE C[C@H]1Oc2ccccc2C=C1C=C(C#N)c1nc(-c2ccccc2)c(NC(=O)c2ccccc2)s1 2314433960 YKNJSIGBCBEIKI-LJQANCHMSA-N 475.573 6.834 50 10 JKGE CC1(C)C(C)(C)C1(C)[C@H](Br)c1ccc(OCc2ccccc2)cc1Br 2314439357 GZGHEXRIMSULEB-LJQANCHMSA-N 466.257 7.536 50 10 JKGE O=S1(=O)CCC[C@H]([C@H](Br)c2cc(Br)ccc2OCc2ccccc2)C1 2314497239 IXZZJVMAYXIYHI-KXBFYZLASA-N 488.241 5.289 50 10 JKGE Cc1cc(Br)ccc1[C@H](Cl)c1cc(Br)ccc1OCc1ccccc1 2314503566 SXCHEPIDSVNLOJ-NRFANRHFSA-N 480.627 7.427 50 10 JKGE Cc1c(Cl)sc(Cl)c1[C@@H](Br)c1cc(Br)cc(Br)c1 2314509952 AGXAPRFJEZBQFM-JTQLQIEISA-N 493.873 7.373 50 10 JKGE C=CCOc1ccc(C=C2C(=O)N(Cc3ccccc3Cl)C(=O)C(C#N)=C2C)cc1OCC 2314620179 LOLXPNZXTGFOEZ-UHFFFAOYSA-N 462.933 5.096 50 10 JKGE CCN(C[C@@](C)(CI)O[C@H]1CCC2(CCCC2)C1)C(=O)OC(C)(C)C 2320508356 MNIAANLGDIWQFF-QFBILLFUSA-N 465.416 5.567 50 10 JKGE C[C@H](NC(=O)C(C#N)=CNc1cc(C(F)(F)F)cc(C(F)(F)F)c1)C12CC3CC(CC(C3)C1)C2 2324904289 OAAPZITUTXCCPL-QRYOHXEKSA-N 485.472 6.265 50 10 JKGE COc1ccc(C=C(C#N)c2ccccc2[N+](=O)[O-])cc1OCc1ccc(Cl)c(Cl)c1 2331066130 LWSKDKAYTUMFTC-UHFFFAOYSA-N 455.297 6.553 50 10 JKGE CC[C@@H](C)[C@@H](C(O)=C(C#N)c1nc(-c2cccc(Cl)c2)cs1)N1C(=O)c2ccccc2C1=O 2331294498 YAQRHXZJDJPWEM-SZNDQCEHSA-N 477.973 5.967 50 10 JKGE CCOc1ccc(OCC)c(-c2csc(C(C#N)=C(O)CCN3C(=O)c4ccccc4C3=O)n2)c1 2331376512 LSSWEFMUXNBSAD-UHFFFAOYSA-N 489.553 5.086 50 10 JKGE N#CC(=Cc1ccccc1OCc1ccc(Cl)cc1)c1nc(-c2ccc([N+](=O)[O-])cc2)cs1 2331434277 MZPUKBFZRNZVMX-UHFFFAOYSA-N 473.941 7.015 50 10 JKGE N#CC(=Cc1ccc(OCc2ccc(Cl)cc2)cc1)c1nc(-c2ccc3c(c2)OCCO3)cs1 2331451249 HPMOGDABTCKFCC-UHFFFAOYSA-N 486.980 6.878 50 10 JKGE CCCCCCCOc1ccc(-c2csc(C(C#N)=Cc3c(OC)ccc4ccccc34)n2)cc1 2331459721 OIPQFGLSTVHDHK-UHFFFAOYSA-N 482.649 8.385 50 10 JKGE CCOc1cc(C=C(C#N)c2nc(-c3ccc(OC)c(C)c3C)cs2)cc(Br)c1O 2331467423 OUGKSPIVSQBPAR-UHFFFAOYSA-N 485.403 6.367 50 10 JKGE CCN(CC)c1ccc(C=C(C#N)c2nc(-c3cc(OC)c(Cl)cc3OC)cs2)cc1 2331471055 IMNPRCRAHZZCSG-UHFFFAOYSA-N 453.995 6.391 50 10 JKGE CCCCCOc1ccc(C=C(C#N)c2nc(-c3cc(Cl)ccc3Cl)cs2)cc1OC 2331488579 GSZWIJLGENXTMN-UHFFFAOYSA-N 473.425 7.759 50 10 JKGE Cc1ccc(Oc2cccc(C)c2I)c(CBr)c1Cl 2335419495 LEUMEYGQLWPESQ-UHFFFAOYSA-N 451.529 6.249 50 10 JKGE Cc1cc([C@@H](Br)c2c(Cl)cc(Br)c(F)c2Br)oc1C 2337095968 FQZPVVLSXOKCFL-LLVKDONJSA-N 475.377 6.698 50 10 JKGE Fc1c(Br)cc(Cl)cc1C[C@@H](Br)c1ccccc1Br 2337144893 GTZIVURVEMQPRY-GFCCVEGCSA-N 471.389 6.683 50 10 JKGE FCCOc1ccccc1[C@H](Br)c1sc(Cl)cc1I 2338769435 WGTTWVOGHIQTDD-LBPRGKRZSA-N 475.548 5.839 50 10 JKGE CC(C)(C)c1ccc([C@@H](Br)c2sc(Cl)cc2I)cc1 2338773110 KJHIJGJPKBJZQJ-CYBMUJFWSA-N 469.613 6.788 50 10 JKGE Cc1cc(Br)c(F)c(Br)c1[C@H](Br)[C@H]1CCC(C)(C)C1 2339655186 XOFSHBOYFDCJPJ-JOYOIKCWSA-N 457.019 6.921 50 10 JKGE COc1c(Br)cc(C)c([C@H](Br)[C@@H](C)C(C)(F)F)c1Br 2339690834 LEHOGBBYAFHBPU-GMSGAONNSA-N 464.970 6.256 50 10 JKGE CCOc1ccc([C@@H](Br)c2scc(Br)c2Br)c(F)c1 2341728673 CCBXWHQUGRJOLJ-LLVKDONJSA-N 472.999 6.295 50 10 JKGE COC1(C(F)F)CC([C@@H](Br)c2cc(Br)ccc2OCc2ccccc2)C1 2343016734 DPLVXMCJVGMNJH-RPLTXICNSA-N 490.182 6.524 50 10 JKGE CC(C)(C)[C@@H]1CC[C@H]1[C@H](Br)c1cc(Br)c(Br)cc1F 2343236079 RTBKJDPLSJQSSB-PWZJLYFZSA-N 457.019 6.859 50 10 JKGE C[C@@H](Cl)C[C@@H]1CCCCN1Cc1ccc(I)c(Br)c1 2349846445 YKXSFNOWSXNJSJ-YPMHNXCESA-N 456.593 5.426 50 10 JKGE Brc1cc(OCc2ccccc2)ccc1[C@H](Br)[C@@H]1C[C@@H]2CCCCCC[C@H]21 2361200412 JJJHYAAFOUCHMI-AYEZKCMBSA-N 492.295 8.071 50 10 JKGE Cc1cc(Br)c(F)c(Br)c1[C@H](Br)C1C[C@H]2CC[C@H](C1)C2 2365219713 JSYCPPGSMQQNIQ-PKFCDNJMSA-N 469.030 6.921 50 10 JKGE CCOc1ccc([C@@H](Cl)c2cc(Br)ccc2I)c(F)c1 2367470608 VLDMHNJWYPORNX-OAHLLOKOSA-N 469.519 5.920 50 10 JKGE C[C@H](Br)CN(C(=O)c1c(Br)cccc1Br)C1CCCC1 2368847894 UBRKFHMGMGMVKX-JTQLQIEISA-N 468.027 5.380 50 10 JKGE CCN(C[C@](C)(CI)OCc1cccc(C2CCC2)c1)C(=O)OC(C)(C)C 2369869736 HQMUCPCEEFDMSQ-QFIPXVFZSA-N 487.422 5.921 50 10 JKGE Cc1ccccc1C[C@H](CBr)Cc1cc(I)ccc1Cl 2380464466 ATXGPRUPKCKZCR-ZDUSSCGKSA-N 463.584 6.049 50 10 JKGE CCc1cc(Br)c(OC)c([C@H](Br)c2cc(Cl)c(Cl)s2)c1 2381253565 IPBCEPMITZBKPM-LBPRGKRZSA-N 459.030 6.873 50 10 JKGE CC(C)(C)OC(=O)N1CCC[C@@](CI)(OCc2cccc(C(F)(F)F)c2)C1 2381381000 VQIOUSZMHYJPBI-SFHVURJKSA-N 499.311 5.427 50 10 JKGE COc1cc(/C=C(/C#N)c2cccc(Cl)c2)ccc1OC(=O)c1cc(OC)c(OC)c(OC)c1 31902359 XDRMVWQPAICHRL-GRSHGNNSSA-N 479.916 5.658 50 10 JKGE CCCCOc1cccc(C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@H]3c2ccccc2OC)c1 38650066 PWNLVWRHSGJNJB-SANMLTNESA-N 470.525 5.311 50 10 JKGE C=CCOc1ccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4cccc(C)c4)ccc32)cc1OC 38680788 LZUUALZBDKSFPH-AREMUKBSSA-N 468.509 5.006 50 10 JKGE C=CCOc1ccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4ccc(OC)c(Cl)c4)ccc32)cc1 38688593 ZYMLKNSBKZBROO-RUZDIDTESA-N 488.927 5.351 50 10 JKGE CCCCC1CCC(C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@H]3c2c(F)cccc2Cl)CC1 38700609 KYHSGHAQSJJECM-DFSZNTFHSA-N 482.983 6.599 50 10 JKGE Cc1ccc(C)c(NC(=O)/C(C#N)=C\c2c(Oc3cccc(C)c3C)nc3ccccn3c2=O)c1 39858796 WZSQPERPOBXSQT-QNGOZBTKSA-N 464.525 5.266 50 10 JKGE CCOc1cc(/C=C2/C(=O)N(C3CCCCC3)C(=O)C(C#N)=C2C)ccc1OCc1ccccc1F 40514648 QHSBPOAVJTXYCN-HZHRSRAPSA-N 488.559 5.728 50 10 JKGE COc1cc(/C=C(\C#N)C(=O)NCc2ccccc2)ccc1OC(=O)c1c(C)cc(C)cc1C 40869946 VGIBHEYEXFZSSA-OEAKJJBVSA-N 454.526 5.063 50 10 JKGE CCOc1cc(/C=C(\C#N)C(=O)NCc2ccco2)ccc1OC(=O)c1c(C)cc(C)cc1C 40925925 NEJCCRRQZQHIOT-FYJGNVAPSA-N 458.514 5.046 50 10 JKGE COc1cc(/C=N/NC(=O)[C@H](C)Oc2ccc(-c3ccccc3)cc2)cc(Br)c1OC 40959712 WGGOLZCVSUXVCL-WBILBPDKSA-N 483.362 5.051 50 10 JKGE COC(=O)c1cc(-c2ccccc2)sc1NC(=O)/C(C#N)=C\c1ccc(-c2ccccc2Cl)o1 96507888 NDYGBGBHXNIBGW-LGMDPLHJSA-N 488.952 6.661 50 10 JKGE N#C/C(=C\c1ccc(-c2ccc(S(=O)(=O)Nc3nccs3)cc2)o1)c1nc2ccccc2s1 98064569 YIXNWGAZOSAVQL-DTQAZKPQSA-N 490.591 5.878 50 10 JKGE CC(C)CCC[C@H](C)CCOc1cc(CBr)c(-c2ccccc2)cc1CBr 100191283 WYTSNLYONIAKFP-IBGZPJMESA-N 496.327 8.375 50 10 JKGE C=CCN1C(=O)C(C#N)=C(C)/C(=C\c2cn(-c3ccccc3)nc2-c2cc3ccccc3o2)C1=O 101230977 OSCPFZLNJSHASU-HYARGMPZSA-N 460.493 5.064 50 10 JKGE N#C/C(C(=O)c1ccccc1)=C1\S[C@@H](Cc2ccc(Br)cc2)C(=O)N1c1ccccc1 102667435 CHLRUSZPGBCUEZ-SCIJIFGBSA-N 489.394 5.758 50 10 JKGE CCOc1ccc([C@@H](Br)c2ccc(I)cc2)cc1OCC 109852259 BVQBPZVIFIZWRA-KRWDZBQOSA-N 461.137 5.573 50 10 JKGE Brc1ccc([C@H](Br)c2cc3c(cc2Br)OCCCO3)s1 109865073 NXECIAYCYRBZAN-CQSZACIVSA-N 483.019 5.919 50 10 JKGE C[C@H](Cl)c1nc2cc(I)ccc2n1-c1ccc(Cl)cc1Br 125822693 DMANQNYVVKSGOZ-QMMMGPOBSA-N 495.973 6.346 50 10 JKGE CCCCCCCCC[C@H](Br)c1cc(Br)c(Br)s1 128242673 OYETYXABFOPRRV-NSHDSACASA-N 461.101 7.850 50 10 JKGE Cc1cc(Br)c([C@@H](Br)c2ccccc2Cl)cc1Br 128730059 NKRFGPJHYMXLQG-AWEZNQCLSA-N 453.399 6.658 50 10 JKGE C[C@@](CBr)(NC(=O)c1cc(Br)c(Br)s1)c1ccccc1 134441728 HDLUGANAIAOJPD-AWEZNQCLSA-N 482.035 5.313 50 10 JKGE Cc1cc([C@@H](Cl)c2cc(Br)c(C)cc2Br)ccc1Br 137918392 SKLCRJFFCTXAER-OAHLLOKOSA-N 467.426 6.919 50 10 JKGE CCCCNC(=O)/C(C#N)=C\c1ccc(OC(=O)CCCOc2ccc(C(C)(C)C)cc2)cc1 207143696 QDZPNFUQIMJGOR-QOCHGBHMSA-N 462.590 5.572 50 10 JKGE Cc1cc(Cl)c([C@@H](Br)c2cc(Br)sc2Br)cc1C 235839162 PUVVOADVLBNBMI-GFCCVEGCSA-N 473.455 7.028 50 10 JKGE Cc1ccc(C=NNC(=O)CSc2nnc(-c3ccc(C)cc3)n2-c2ccc(C)cc2)cc1 254481492 VGMSKAMZPJDWMN-UHFFFAOYSA-N 455.587 5.102 50 10 JKGE Cc1c(Br)cccc1[C@@H](Br)c1scc(C(F)(F)F)c1Br 312223107 AXPFPCFSWVOPRU-SNVBAGLBSA-N 492.980 7.085 50 10 JKGE Fc1ccc([C@H](Br)c2cc(I)cc3c2OCC3)cc1Cl 380146888 WLWRMMWZBAIGDC-AWEZNQCLSA-N 467.503 5.503 50 10 JKGE Cl[C@H](c1ccccc1OCc1ccccc1)c1cc(I)cc2c1OCC2 388355719 CHTFCVSRAMIPNS-OAQYLSRUSA-N 476.741 6.133 50 10 JKGE CC(C)(C)[Si](C)(C)OCCN1CCCC[C@H](c2ccccc2CO[Si](C)(C)C(C)(C)C)C1 616603846 IYRXCLQGRLJELM-QHCPKHFHSA-N 477.882 7.800 50 10 JKGE COCc1cc(Br)c([C@@H](Br)c2ccc(Br)cc2C)s1 688140359 VUYIVJDDGCUTOV-ZDUSSCGKSA-N 469.036 6.212 50 10 JKGE COc1cc(Br)ccc1[C@H](Br)c1ccc(F)c(Br)c1F 691518518 YGZWSDNKFZLAKD-LBPRGKRZSA-N 470.933 5.983 50 10 JKGE Clc1ccc(Cl)c(COc2c(Br)cc(Cl)cc2CBr)c1 708110883 JGNMRRKBNAABGV-UHFFFAOYSA-N 459.392 6.883 50 10 JKGE Cc1ccc([C@H](Br)c2ccc(I)c(Br)c2)cc1 721587945 NBEAXQAMYKJBGQ-AWEZNQCLSA-N 465.954 5.846 50 10 JKGE CN(C)c1ccc(C(=O)NN=C2C(=O)N(C(c3ccccc3)c3ccccc3)c3ccccc32)cc1 1083993924 COUOMQKRGXJBOF-UHFFFAOYSA-N 474.564 5.023 50 10 JKGE CCCN(CCC)c1ccc(C(=O)NN=C2C(=O)N(C/C=C/c3ccccc3)c3ccccc32)cc1 1084054289 UDPRBWZORCBAKY-BALKDPOJSA-N 480.612 5.507 50 10 JKGE O=C(CCCCCNc1ccc(C(F)(F)F)cc1[N+](=O)[O-])NN=Cc1c(O)ccc2ccccc12 1084240402 NEOYTPRLVFJQDW-UHFFFAOYSA-N 488.466 5.595 50 10 JKGE Cc1cc(C=NNC(=O)[C@H](C)SCc2ccccc2)c(C)n1-c1cccc(Br)c1 1084496919 MGTDFJHCCKNSQE-SFHVURJKSA-N 470.436 5.629 50 10 JKGE COc1ccc(NC(=O)CCCCCCCC[C@@H](Br)CC(F)(F)Cl)cc1 1615949091 KCVFSPCIDRWQKU-OAHLLOKOSA-N 454.783 6.740 50 10 JKGE Cc1ccc2c(CC(=O)NN=C3CCCc4oc(C(=O)N(C)c5ccccc5)c(C)c43)coc2c1C 1772751627 IEOVQKHTQDMUOT-UHFFFAOYSA-N 483.568 5.627 50 10 JKGE COc1cc(C=NNC(=O)[C@H](C)Oc2cc(C)c(Cl)c(C)c2)ccc1OCCc1ccccc1 1772756261 QRPHHPBKHJTMLK-FQEVSTJZSA-N 480.992 5.505 50 10 JKGE CCCCCCOc1ccc(C=NNC(=O)CSc2nc3ccccc3s2)cc1OC 1772760553 RAOQJUWOPXYHIM-UHFFFAOYSA-N 457.621 5.506 50 10 JKGE CCCc1nn(Cc2ccc(Cl)c(Cl)c2)c2c1[C@@H](c1cccc(O)c1)C(C#N)=C(N)O2 1865681096 DYXNKZMSBKVCIV-FQEVSTJZSA-N 455.345 5.114 50 10 JKGE CN(C)c1ccc([C@@H]2C(C#N)=C(N)Oc3c2c(-c2ccccc2)nn3Cc2ccccc2F)cc1 1865684157 UXVZIUPPGDJIBY-XMMPIXPASA-N 465.532 5.022 50 10 JKGE CCCCOc1ccc([C@@H]2C(C#N)=C(N)Oc3c2c(C(F)(F)F)nn3CCC)cc1OCC 1865686912 DZYLTYNQIACMFE-GOSISDBHSA-N 464.488 5.108 50 10 JKGE CCOc1ccc([C@@H]2C(C#N)=C(N)Oc3c2c(-c2ccccc2)nn3Cc2cc(C)ccc2C)cc1 1865692492 BVIRJJXVBMLNPO-AREMUKBSSA-N 476.580 5.832 50 10 JKGE CCOc1c(OC)cccc1[C@H]1C(C#N)=C(N)Oc2c1c(-c1ccccc1)nn2-c1ccccc1Cl 1865694181 VFJYPYRBKIUMFU-QHCPKHFHSA-N 498.970 5.818 50 10 JKGE CCc1nn(CC(C)C)c2c1[C@@H](c1c(OCc3ccccc3)ccc3ccccc13)C(C#N)=C(N)O2 1865704186 PQMHHUFCQYCKQM-HHHXNRCGSA-N 478.596 6.052 50 10 JKGE N#CSc1ccc(NC(=O)[C@H](NC(=O)c2cc(-c3ccccc3)on2)c2ccccc2)cc1 1866825508 MWDKIHBZUPKMRX-HSZRJFAPSA-N 454.511 5.025 50 10 JKGE CSCC[C@@H](NC(=O)[C@H](C)c1ccc(Br)cc1)C(=O)Nc1ccc(SC#N)cc1 1866944663 SLPGHBIEFYBHRZ-AUUYWEPGSA-N 492.464 5.002 50 10 JKGE COc1ccccc1CCN1CCN(c2cc(Nc3ccc(SC#N)cc3)nc(C(C)C)n2)CC1 1868231976 YUWWXSQDIBTBBZ-UHFFFAOYSA-N 488.661 5.290 50 10 JKGE CC(C)N1C(=O)c2ccc(/C(O)=C(\C#N)c3nc(-c4ccc5c(c4)CCCC5)cs3)cc2C1=O 1872745267 FHSDTRCSXYEKHL-GYHWCHFESA-N 469.566 5.643 50 10 JKGE CCCOc1ccc(-c2csc(/C(C#N)=C(\O)c3ccc(N4CCOCC4)c([N+](=O)[O-])c3)n2)cc1 1872749652 BDSUGRUIAHANGO-GFMRDNFCSA-N 492.557 5.294 50 10 JKGE Cc1cc(C)c(C)c(-c2csc(/C(C#N)=C(\O)c3ccccc3I)n2)c1C 1872754443 SOHXVBWFKNVGSS-FXBPSFAMSA-N 486.378 6.598 50 10 JKGE CCOc1ccc(-c2csc(/C(C#N)=C(O)/C=C\c3ccc4c(c3)OCCO4)n2)c(OCC)c1 1872755613 WOBMTWATLBDRCP-CTBBXLCYSA-N 476.554 5.885 50 10 JKGE COc1cc(OC)c(-c2csc(/C(C#N)=C(O)/C=C/c3cccc(Cl)c3)n2)cc1Cl 1872756363 ISXXIFWGAQYJDN-PWHQALQLSA-N 459.354 6.640 50 10 JKGE C[C@@H](/C(O)=C(\C#N)c1nc(-c2cc(Cl)ccc2Cl)cs1)N1C(=O)c2ccccc2C1=O 1872758279 TXKGGIZNBLNQEB-WTAXECHQSA-N 470.337 5.594 50 10 JKGE COc1ccc(-c2csc(/C(C#N)=C(\O)Cc3ccc(Br)cc3)n2)c(OC)c1OC 1872759118 DZVQLJHZAWLXLP-VLGSPTGOSA-N 487.375 5.634 50 10 JKGE C[C@H](CCl)N(Cc1ccccc1)C(=O)c1cc(Br)sc1Br 1914225656 XHHAOTAPJVUTGK-SNVBAGLBSA-N 451.611 5.543 50 10 JKGE C[C@H](CBr)N(Cc1ccccc1)Cc1cc(C(F)(F)F)cc(C(F)(F)F)c1 1914340499 YOQHLWJVHGPELQ-CYBMUJFWSA-N 454.252 6.510 50 10 JKGE CC[C@@H](Br)CN(Cc1ccccc1)C(=O)c1ccc(Br)cc1Cl 1915076373 OPWBRSVDKHEAGU-CQSZACIVSA-N 459.609 5.918 50 10 JKGE COc1ccc(Br)cc1C(=O)N(Cc1ccccc1)[C@H](CBr)C(C)C 1915324151 VTNIIIJESKMMOG-GOSISDBHSA-N 469.217 5.520 50 10 JKGE Clc1sc(Cl)c([C@H](Cl)c2c(Br)cccc2Br)c1Cl 1925549318 UFISGVNTGGGKJM-MRVPVSSYSA-N 469.840 7.562 50 10 JKGE ClCc1nc2cncc(Br)c2n1CCCN(Cc1ccccc1)Cc1ccccc1 1938597207 XUSVVYKMPJAVAX-UHFFFAOYSA-N 483.841 6.025 50 10 JKGE Cc1sc([C@H](Cl)c2cccc(Br)c2Br)cc1Br 1943902092 BDDKFCCGBNJYND-GFCCVEGCSA-N 459.428 6.672 50 10 JKGE CN1CCC(N(Cc2ccccc2)c2cc(Br)ccc2CBr)CC1 1946826226 GEBAHTXSEMVGIN-UHFFFAOYSA-N 452.234 5.445 50 10 JKGE COC1([C@@H](Br)c2c(Br)sc(Br)c2Br)CC1 1957638824 CYTZBQCBDJTOAJ-LURJTMIESA-N 483.845 5.651 50 10 JKGE CC1(C)CO[C@@H]([C@H](Br)c2c(Br)sc(Br)c2Cl)C1 2001535806 RCBIVJHGKGFPBG-VDTYLAMSSA-N 467.448 6.178 50 10 JKGE Cc1cc(Br)c(CBr)c(N(CCC(F)(F)F)Cc2ccccc2)c1 2005453292 VVYLHBCDDINUTE-UHFFFAOYSA-N 465.151 6.611 50 10 JKGE Cc1cc(Cl)c(Br)cc1[C@@H](Br)c1ccsc1Br 2023703458 ATNBDXSYIPSKGE-NSHDSACASA-N 459.428 6.719 50 10 JKGE Cc1nc(C[C@H](Br)c2csc(Br)c2Br)sc1C 2025988631 FKZJJODABCVWTQ-QMMMGPOBSA-N 460.054 6.025 50 10 JKGE CCc1sc(Br)cc1[C@@H](Br)c1cc(Br)ccc1Cl 2030222622 RBFBMUTZZZUNET-ZDUSSCGKSA-N 473.455 6.973 50 10 JKGE COc1ccc([C@@H](Br)c2sc(Br)cc2C)cc1Br 2038506480 OVWFDIYFAQGCEL-GFCCVEGCSA-N 455.009 6.074 50 10 JKGE Fc1cc(Cl)c([C@H](Br)c2sc(Br)cc2Br)cc1F 2049595004 GJGKXEJJEWWGAB-JTQLQIEISA-N 481.381 6.689 50 10 JKGE Cc1c(Br)sc([C@H](Br)[C@]23CO[C@](CF)(C2)C3)c1Br 2082593997 JXKNIVAPZNZZRS-DLOVCJGASA-N 463.004 5.536 50 10 JKGE Brc1scc([C@@H](Br)Cc2nc3ccccc3s2)c1Br 2093941904 FMHMLPIRBJFMPI-QMMMGPOBSA-N 482.060 6.562 50 10 JKGE O=C(c1cc(Br)c(Br)s1)N1C[C@@H](Br)CC2(CCC2)C1 2094999219 IFZPVYJBOGSSJJ-QMMMGPOBSA-N 472.040 5.053 50 10 JKGE CO[C@@H]1CC([C@@H](Br)c2c(Cl)sc(Br)c2Cl)C[C@H]1OC 2118267072 GEWHPUJBZIQKME-ZXFLCMHBSA-N 453.023 5.693 50 10 JKGE Cc1cc([C@@H](Br)c2c(C)c(Br)cc(C)c2Br)sc1Cl 2136372939 XEIJSIHUSCQPDC-CYBMUJFWSA-N 487.482 7.336 50 10 JKGE Cc1cc(Cl)c(Br)cc1[C@@H](Br)c1cc(Cl)ccc1Br 2137643460 SERJENKSTVYTBR-CQSZACIVSA-N 487.844 7.311 50 10 JKGE Brc1ccc([C@@H](Br)c2cc3c(s2)CCCC3)c(Br)c1 2138849617 FMTSFCCKJUJNRL-OAHLLOKOSA-N 465.048 6.636 50 10 JKGE CC1(C)OCCC[C@@]1(CBr)Cc1ccc(I)c(Cl)c1 2142958243 QJMDDWZMFMBWBI-HNNXBMFYSA-N 457.577 5.457 50 10 JKGE Fc1cccc(C[C@@H](CBr)Cc2cccc(Br)c2Br)c1 2148749326 BLOBQMYPGLNOBP-GFCCVEGCSA-N 464.998 6.147 50 10 JKGE COc1ccc([C@H](Br)c2cc(C3CC3)c(Br)s2)cc1Br 2151032068 JQRFWOWQCOOWOP-AWEZNQCLSA-N 481.047 6.643 50 10 JKGE CN(CCN(Cc1ccccc1)Cc1cc(-c2nc(CCl)cs2)ccc1F)Cc1ccccc1 2152222994 JVGVDHIYVTVASP-UHFFFAOYSA-N 494.079 6.822 50 10 JKGE CC1(C)C[C@H](n2c(CCl)nc3cc(Cl)c(Br)cc32)[C@H]1OCc1ccccc1 2169014860 DODGJYNEIKFACW-AZUAARDMSA-N 468.222 6.747 50 10 JKGE Clc1cccc(Br)c1[C@H](Br)c1cc(Br)c2c(c1)CCO2 2169468194 VPKOPGWPIPBDGP-CQSZACIVSA-N 481.409 6.284 50 10 JKGE CCc1nc([C@@H](Cl)c2csc3c(Br)cccc23)c(Br)s1 2169488564 SHKCSKKPGFQYGH-NSHDSACASA-N 451.636 6.773 50 10 JKGE COc1ccc(Oc2cc(Br)cc(F)c2CCl)cc1I 2170699319 PQCDMPWGWWEHSQ-UHFFFAOYSA-N 471.491 5.733 50 10 JKGE O=C(c1scc(Br)c1Br)N1C[C@@]2(CBr)CCC[C@]2(F)C1 2176640718 OWTLHZKCSSAWHU-STQMWFEESA-N 490.030 5.002 50 10 JKGE Cc1cc(Br)c(C)c([C@@H](Br)CC[C@@H]2CCCCO2)c1Br 2201072171 UGWLDSCSHAEFMM-STQMWFEESA-N 469.055 6.614 50 10 JKGE COc1c(Br)cc(C)cc1[C@@H](Cl)c1cccc(F)c1I 2203822448 FTJHTTXNUGKYEY-ZDUSSCGKSA-N 469.519 5.838 50 10 JKGE COc1ccc(C(C)C)cc1[C@@H](Br)c1scc(Br)c1Br 2203877201 WREGZSKQWNYMJP-CYBMUJFWSA-N 483.063 6.889 50 10 JKGE Cn1ncc(Br)c1[C@@H](Cl)c1cc(Br)c(Br)cc1F 2218605572 IMYUMGBNKMXDMK-JTQLQIEISA-N 461.354 5.175 50 10 JKGE CC(C)CN1C[C@@H](c2sc(Br)c(Br)c2Br)[C@@H](Cl)C1 2222473372 SAVNAENECZIKAZ-SFYZADRCSA-N 480.491 5.698 50 10 JKGE Cc1cc(Br)c([C@@H](Br)c2ccc(OCc3ccccc3)cc2)c(C)c1Cl 2224321098 KUZVGODVUUJBEB-NRFANRHFSA-N 494.654 7.783 50 10 JKGE Fc1cc(Br)c(Br)cc1[C@@H](Br)C[C@H]1CCCOCC1 2225615245 FGRBMAFKWBXWFQ-ONGXEEELSA-N 458.991 5.994 50 10 JKGE Clc1cc(Br)ccc1C[C@@H](Br)c1cc(Br)ccc1Cl 2229155184 ZFMWNLRWNFFUPI-GFCCVEGCSA-N 487.844 7.197 50 10 JKGE COc1ccc([C@@H](Br)c2c(Br)cc(Cl)c(Cl)c2Cl)cc1 2232511532 KLUQNVTTZCJZHB-GFCCVEGCSA-N 459.392 6.902 50 10 JKGE Cc1cc(Br)c([C@H](Br)[C@H]2C[C@@]2(C)C(F)(F)F)c(C)c1Br 2235602234 YCTXYICBYVWNFJ-BZHVJNSISA-N 478.972 6.853 50 10 JKGE COCC1([C@@H](Br)c2c(Br)cc(C)c(Br)c2C)CCCC1 2235614682 KKDGSKYQFNTEBZ-HNNXBMFYSA-N 469.055 6.471 50 10 JKGE Fc1cc(F)c([C@H](Cl)c2c(Br)cccc2Br)c(F)c1Br 2236111639 VWSRQCUYOKYFTB-GFCCVEGCSA-N 493.342 6.720 50 10 JKGE O=C(c1cc(Br)c(Br)s1)N1C[C@@H]2CCCC[C@@]2(CBr)C1 2238793028 ZFSATGHMFCWYGF-LKFCYVNXSA-N 486.067 5.300 50 10 JKGE CCN(C[C@](C)(CI)O[C@H]1CCCC12CCC2)C(=O)OC(C)(C)C 2250323024 JQOSTOHOIVDRKY-YJBOKZPZSA-N 451.389 5.177 50 10 JKGE C[C@@H](Br)CN(C(=O)c1cc(Br)c(Br)s1)C(C)(C)C 2259804144 ZXOKHPHRUVNWKU-SSDOTTSWSA-N 462.045 5.297 50 10 JKGE Clc1ccc([C@H](Br)Cc2cc(Br)cc(Br)c2)cc1 2263445326 BXSGLUWYMSHWLN-CQSZACIVSA-N 453.399 6.544 50 10 JKGE Cc1cc([C@@H](Br)c2cc(Br)cc(C(C)C)c2)sc1Br 2265966868 IHEZTWIFYHXTFA-AWEZNQCLSA-N 467.064 7.189 50 10 JKGE Fc1cc(Br)c(F)c(Br)c1[C@@H](Br)CCC1CCCC1 2272850011 PMTYCVNTDMBWIW-VIFPVBQESA-N 460.982 6.896 50 10 JKGE CSc1ccc([C@H](Br)Cc2cc(Br)cc(Br)c2)cc1 2277961361 SEUXSRNLFXHMLS-OAHLLOKOSA-N 465.048 6.612 50 10 JKGE COc1cc(OCc2cccc(Br)c2Br)ccc1CBr 2282822841 MTRHADLOLBDWMU-UHFFFAOYSA-N 464.979 5.694 50 10 JKGE C[C@H](CCCCCI)NC(=O)c1cc(F)c(Br)cc1Cl 2282967795 QXVDYZPLQZXJCM-SECBINFHSA-N 476.555 5.355 50 10 JKGE COc1ccc([C@@H](Br)c2cc(F)c(F)c(F)c2)cc1I 2285007030 HNIGQKLTRGNDLU-CYBMUJFWSA-N 457.027 5.201 50 10 JKGE CCOc1cc(C=CC(=O)Cl)cc(Br)c1OC(=O)c1cccc2ccccc12 2293937645 DTXODOGLZCFJEE-UHFFFAOYSA-N 459.723 5.999 50 10 JKGE COc1c([C@H](Br)C2(Br)CCC2)cc(Br)c2ccccc12 2294630599 WIEOFUCIKHKQPE-HNNXBMFYSA-N 463.007 6.365 50 10 JKGE CCC[C@@H](CCBr)CNC(=O)Cc1cc(Br)cc(Br)c1 2295308006 RMOJRDDLRPEGJJ-NSHDSACASA-N 470.043 5.072 50 10 JKGE N#CC(=Cc1cn(Cc2c(F)cccc2Cl)c2ccccc12)C(=O)NCCc1ccccc1 2295672216 BUVNPVNGKWQFCG-UHFFFAOYSA-N 457.936 5.748 50 10 JKGE CCOC(=O)c1c(NC=C(C#N)c2nc(-c3ccccc3)cs2)sc(C(=O)OC(C)(C)C)c1C 2296790240 YQTXCCLFGUMVIC-UHFFFAOYSA-N 495.626 6.289 50 10 JKGE CCC1CC(C[C@@H](Br)c2ccc(OCc3ccccc3)cc2Br)C1 2299493561 LLZWHUQORACRBQ-MKJPBZQASA-N 452.230 7.290 50 10 JKGE C=CCOc1c(I)cc(C=C(C#N)C(=O)Nc2cccc(C)c2C)cc1OC 2313518210 TZHUNFIIYGVAKY-UHFFFAOYSA-N 488.325 5.027 50 10 JKGE Cc1ccc(NC(=O)C(C#N)=Cc2cc(Br)ccc2OCc2cccc3ccccc23)cc1 2313571092 NEPUPTCINAARFV-UHFFFAOYSA-N 497.392 7.035 50 10 JKGE COc1cc(C=C(C#N)C(=O)Nc2cc(Cl)ccc2Cl)ccc1OCc1ccccc1F 2313630921 HXLDMUJGEGYDBR-UHFFFAOYSA-N 471.315 6.266 50 10 JKGE COc1cccc(C=C(C#N)C(=O)Nc2ccc(C)cc2)c1OCc1ccc(Cl)cc1Cl 2313631173 LREHYVJASHBWHC-UHFFFAOYSA-N 467.352 6.435 50 10 JKGE N#CC(=Cc1cc(Cl)ccc1OCc1ccc(F)cc1)C(=O)Nc1ccc(Cl)c(Cl)c1 2313631759 VDNWTDLESXCPBW-UHFFFAOYSA-N 475.734 6.911 50 10 JKGE N#CC(=Cc1ccc(-c2cc(Cl)ccc2Cl)o1)c1nc(O)c2c3c(sc2n1)CCCC3 2314456889 GONIKTXYGJOJJL-UHFFFAOYSA-N 468.365 6.907 50 10 JKGE Cc1cccc([C@@H](Br)c2cc(Br)ccc2OCc2ccccc2)c1Cl 2314488481 IUHXGKKULPFZNG-HXUWFJFHSA-N 480.627 7.474 50 10 JKGE N#CC(=Cc1ccc(-c2cc(Cl)ccc2Cl)o1)C(=O)Nc1ccc(Cl)cc1Cl 2314572044 RFFKBJZUDRSMCJ-UHFFFAOYSA-N 452.124 7.106 50 10 JKGE COc1ccc(OC)c([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)C=Cc4ccccc4Cl)ccc32)c1 2314634687 ZJIVMNMAFHUEIG-AREMUKBSSA-N 488.927 5.194 50 10 JKGE Brc1cc([C@@H](Br)c2cnsc2Br)cc2c1OCC2 2315615650 FECWZBNQXPMNPL-SNVBAGLBSA-N 453.981 5.087 50 10 JKGE CC(C)(C)OC(=O)N1CCC(CI)(OC[C@H]2CC[C@@H]2C(C)(C)C)CC1 2320190369 WMSDIYZXBVJRIX-CVEARBPZSA-N 465.416 5.280 50 10 JKGE COc1ccc(C(C#N)=Cc2ccc(OC(=O)c3cc4ccccc4oc3=O)c(OC)c2)cc1 2320506557 MFUDAFRFYJCDNO-UHFFFAOYSA-N 453.450 5.094 50 10 JKGE CCOc1cc(C(=O)Oc2cccc(C=C(C#N)c3cccc(Cl)c3)c2)cc(OCC)c1OCC 2320506678 PDHZTWQGOSFCCV-UHFFFAOYSA-N 491.971 6.819 50 10 JKGE N#CC(=Cc1cccc(OC(=O)c2cc(C(F)(F)F)cc(C(F)(F)F)c2)c1)c1ccc(Cl)cc1 2320511445 WOOATUMZSNACPA-UHFFFAOYSA-N 495.806 7.661 50 10 JKGE N#CC(=CNC1CCN(Cc2ccccc2)CC1)C(=O)NC1CCCCCCCCCCC1 2325485665 FCZUPJKNHVWAOL-UHFFFAOYSA-N 450.671 5.438 50 10 JKGE CCc1ccc(-c2csc(C(C#N)=C(O)CCCOc3cc(C)c(Cl)c(C)c3)n2)cc1 2331245814 XEYRUBYFIFEYCX-UHFFFAOYSA-N 453.007 7.295 50 10 JKGE COC(=O)c1ccc(C=CC(O)=C(C#N)c2nc(-c3ccc(Cl)cc3Cl)cs2)cc1 2331254741 VIYNCJCGTVCHGA-UHFFFAOYSA-N 457.338 6.410 50 10 JKGE N#CC(=C(O)c1ccc2c(c1)C(=O)N(Cc1ccccc1)C2=O)c1nc(-c2cccc(Cl)c2)cs1 2331294044 JUHUEHNEFFUWBR-UHFFFAOYSA-N 497.963 6.210 50 10 JKGE COC(=O)c1ccc(C=CC(O)=C(C#N)c2nc(-c3cc(C(C)(C)C)ccc3OC)cs2)cc1 2331350941 FRXDUJHHYHISNA-UHFFFAOYSA-N 474.582 6.409 50 10 JKGE Cc1ccc(OCC(O)=C(C#N)c2nc(-c3ccc(Oc4ccccc4)cc3)cs2)cc1C 2331359037 TUSPJKUIUXKQAB-UHFFFAOYSA-N 454.551 7.091 50 10 JKGE COc1cc(OC)c(-c2csc(C(C#N)=C(O)c3ccc(Cl)cc3[N+](=O)[O-])n2)cc1Cl 2331381159 QJCCUBWNGYZBOL-UHFFFAOYSA-N 478.313 5.992 50 10 JKGE COc1cc(C=C(C#N)c2nc(-c3ccc(F)c(C)c3)cs2)ccc1OCc1ccc(Cl)cc1 2331449155 RSEAPPIAQUTLOV-UHFFFAOYSA-N 490.987 7.563 50 10 JKGE CCOc1ccc(C=C(C#N)c2nc(-c3cc(C(C)C)c(OC)cc3C)cs2)cc1OCC 2331463533 QEACQHLZSDSQDT-UHFFFAOYSA-N 462.615 7.112 50 10 JKGE C[C@@H]1OCCO[C@@H]1[C@H](Br)c1c(Cl)cc(Br)c(F)c1Br 2337082212 JADDQOITQKCHFC-JAGHEFPSSA-N 481.381 5.244 50 10 JKGE CCCc1sc(Br)cc1[C@H](Cl)c1ccc(F)cc1I 2338023601 JBYYVOXGGOMYGF-CQSZACIVSA-N 473.576 6.535 50 10 JKGE BrC[C@@H](COc1cc(Br)cc(I)c1)c1ccccc1 2338708762 PFWRTYXLASCXMD-LBPRGKRZSA-N 495.980 5.611 50 10 JKGE CC[C@@H]([C@@H](Br)c1c(C)cc(Br)c(F)c1Br)C(C)(F)F 2339656430 NSPQYLCZALNCIO-OIBJUYFYSA-N 466.961 6.777 50 10 JKGE Clc1ccc(CN2CC[C@]3(CCC[C@@H]3Br)C2)c(I)c1 2341033719 ZTAKMMFEWMUBRM-LSDHHAIUSA-N 454.577 5.084 50 10 JKGE CC(C)(C)OC(=O)NC[C@](C)(CI)OCC1CCC(CC(F)(F)F)CC1 2353240376 FDQKHZNECXBYNV-KVULBXGLSA-N 493.348 5.480 50 10 JKGE COc1c(Br)cc(C)c([C@H](Br)CCC2CC(C)C2)c1Br 2365217481 FFFPIBFUZFQDNW-QEWOUOOISA-N 469.055 6.791 50 10 JKGE Clc1cc(Cl)cc(CC[C@@H](Br)c2ccc(Br)c(Cl)c2)c1 2366887845 GVLBBECWNCCVLW-CYBMUJFWSA-N 457.420 7.478 50 10 JKGE COc1c(F)cc([C@H](Br)c2cccc(C)c2I)cc1F 2370438543 XNPICANWJGTGGL-ZDUSSCGKSA-N 453.064 5.371 50 10 JKGE COc1ccc(C[C@H]2S/C(=C(\C#N)C(=O)Nc3ccc(C)cc3)N(c3ccc(C)c(C)c3)C2=O)cc1 2335273 QOVLCFUCSQMTIO-VOUPIIBTSA-N 497.620 5.685 50 10 JKGE CCn1c(NNC(=O)c2ccc(COc3ccc(C(C)(C)C)cc3)cc2)nc2ccccc2c1=O 11158107 XTNGTGIYWJOXMD-UHFFFAOYSA-N 470.573 5.050 50 10 JKGE O=C(COc1ccc(-c2ccccc2)cc1Br)NNC(=O)Cc1cccc2ccccc12 14642234 PJCBPNDHZAIEQE-UHFFFAOYSA-N 489.369 5.038 50 10 JKGE COc1ccc(/C(C#N)=C\c2ccc(OC(=O)COc3ccc(Cl)cc3Cl)cc2)cc1OC 31900995 YHUISCNFYFEJRT-WQRHYEAKSA-N 484.335 6.059 50 10 JKGE COc1ccc(/C(C#N)=C\c2ccc(OC(=O)c3cc4ccccc4oc3=O)cc2)cc1OC 31901127 WYPITYQKJQEALU-MOSHPQCFSA-N 453.450 5.094 50 10 JKGE C[C@H](Oc1ccc(Cl)cc1Cl)C(=O)Oc1ccc(/C=C(/C#N)c2ccc(Cl)cc2)cc1 31901348 HLGKWZALDZDGAT-BRYHAGSVSA-N 472.755 7.084 50 10 JKGE N#C/C(=C/c1ccc(-c2cccc(C(F)(F)F)c2)o1)C(=O)Nc1nc(-c2cccs2)cs1 33869132 CUFGFUXRJFHMHM-UVTDQMKNSA-N 471.485 6.696 50 10 JKGE N#C/C(=C/c1ccc(-c2ccc(Cl)c(Cl)c2)o1)C(=O)Nc1ccc([N+](=O)[O-])cc1C(F)(F)F 33930457 HPBUCJMADJPZCY-GHXNOFRVSA-N 496.228 6.726 50 10 JKGE Cc1ccc(-c2csc(/C(C#N)=C\c3cc([N+](=O)[O-])ccc3OCC(=O)Nc3ccccc3)n2)cc1 35519560 ZFQIPHYUCZETIY-BKUYFWCQSA-N 496.548 6.108 50 10 JKGE C=CCOc1cccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)[C@H](C)Oc4ccc(CC)cc4)ccc32)c1 38684598 QGODLCNSUCZKPK-HMILPKGGSA-N 496.563 5.405 50 10 JKGE Cc1ccc(CNC(=O)c2oc3c(c2C)/C(=N/NC(=O)c2ccc(Br)cc2)CCC3)cc1 40811743 YWEGGLKCABUSMW-VFCFBJKWSA-N 494.389 5.059 50 10 JKGE COc1cc(/C=N/NC(=O)COc2ccccc2C(C)(C)C)ccc1OCc1ccccc1C 40911543 ZPVQEYLHNAREGO-STBIYBPSSA-N 460.574 5.409 50 10 JKGE O=C(CCCc1ccccc1)N/N=C1/C(=O)N(Cc2c(Cl)cccc2Cl)c2ccccc21 59146425 KNUBLYUOANDYDK-RMLRFSFXSA-N 466.368 5.383 50 10 JKGE CCc1ccc(NC(=O)/C(C#N)=C\c2cc(Cl)ccc2OCc2cccc(Cl)c2)cc1 59291907 MOQGSMAGEXAVEB-MOSHPQCFSA-N 451.353 6.680 50 10 JKGE N#C/C(=C/c1ccc(COc2c(Cl)cc(Cl)cc2Cl)o1)C(=O)Nc1sccc1C#N 96438552 UXWAUAHJSPGWOA-XGICHPGQSA-N 478.744 6.298 50 10 JKGE Cc1cc(/C=C(/C#N)c2nnc(N3CCOCC3)n2-c2ccccc2)c(C)n1-c1cccc(Cl)c1 96669547 MOQLMGJWVBAUPJ-JWGURIENSA-N 484.991 5.229 50 10 JKGE CCc1nn(C)c(C[C@H](CBr)Cc2cccc(Br)c2)c1Br 97184835 HAOIRYVAYMJGCS-GFCCVEGCSA-N 479.054 5.304 50 10 JKGE C=CCNC(=O)/C(C#N)=C1\S[C@H](Cc2ccc(Cl)cc2Cl)C(=O)N1c1ccc(CC)cc1 101241486 YMZJHXHVHVMASD-AZJLSSPBSA-N 486.424 5.284 50 10 JKGE CCOc1ccc(N2C(=O)[C@H](Cc3ccc(F)cc3)S/C2=C(/C#N)C(=O)Nc2ccccc2)cc1 101244690 UXYBFPKCEMTKHB-FYAMCCBRSA-N 487.556 5.289 50 10 JKGE Clc1cccc(C(CBr)(CBr)Cc2cccc(Br)c2)c1 118878129 XNZHGTJVPFGBKN-UHFFFAOYSA-N 481.453 6.373 50 10 JKGE CCSCCCC(CBr)(CBr)c1ccccc1Br 124359490 RGNPIBDAPZFNCS-UHFFFAOYSA-N 459.085 6.010 50 10 JKGE Clc1ccc([C@@H](Br)c2cccc(I)c2)c2ccccc12 127345949 AQVNNQRSDFGJHY-KRWDZBQOSA-N 457.536 6.582 50 10 JKGE Cc1cc(Br)ccc1[C@@H](Br)c1cc(Cl)c(Br)s1 127539816 XAYOSWFNZDIFTC-LLVKDONJSA-N 459.428 6.719 50 10 JKGE COc1cccc(F)c1[C@@H](Br)c1cc(Br)c(Br)s1 128250692 HQRGDFORKBCYBB-NSHDSACASA-N 458.972 5.905 50 10 JKGE O=C(Nc1cccc(CCCBr)c1)c1cc(Br)ccc1Br 161235829 NYKAYXVXNUQDCW-UHFFFAOYSA-N 476.006 5.791 50 10 JKGE CCOc1cccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)/C=C\c4ccc(C)cc4)ccc32)c1 205659841 SMMKSSAOOBGZCI-FRCQCVPTSA-N 452.510 5.231 50 10 JKGE COc1ccc(NC(=O)/C(C#N)=C\c2ccc(-c3ccc(Cl)cc3[N+](=O)[O-])o2)cc1OC 207868702 BDGPAFHWSWEXSK-LCYFTJDESA-N 453.838 5.071 50 10 JKGE C[C@H](N/C=C(/C#N)C(=O)Nc1ccccc1Sc1ccccc1)C12CC3CC(CC(C3)C1)C2 217243416 WVKAQCKIHMRHIW-PBAOGHKOSA-N 457.643 6.378 50 10 JKGE Cc1sc([C@@H](Br)c2ccc(Br)c(Cl)c2)cc1Br 227833874 XFXJRPXBANXVKH-LBPRGKRZSA-N 459.428 6.719 50 10 JKGE Fc1cc(Br)cc(F)c1[C@@H](Br)c1cc(Br)c(Cl)s1 227847962 WNZIMJWWQKYANO-JTQLQIEISA-N 481.381 6.689 50 10 JKGE CCCOc1ccc([C@H](Br)c2cc(Cl)cc(Cl)c2)cc1Br 229007760 KBRLPPIEKTXMLP-INIZCTEOSA-N 453.001 7.029 50 10 JKGE CC(C)(C)[C@@H]1CC2=C(OC(N)=C(C#N)[C@@H]2c2ccccc2Cl)/C(=C\c2ccccc2Cl)C1 229785731 DCDCHBSBVCLMAN-BCLGBUSQSA-N 465.424 7.595 50 10 JKGE CCCOc1ccc(C(C)=NNC(=O)c2cc(-c3ccc(C(C)C)cc3)nc3ccccc23)cc1 254458111 PPWMZOPOMSWKGV-UHFFFAOYSA-N 465.597 6.968 50 10 JKGE CC(=NNC(=O)CSc1nnc(-c2ccc(C(C)(C)C)cc2)n1-c1ccccc1)c1ccccc1O 254485961 JBUGZLMFLXCZGD-UHFFFAOYSA-N 499.640 5.570 50 10 JKGE CC(=NNC(=O)c1ccoc1C)c1cccc(NC(=O)[C@H](C)Oc2ccc(C)cc2Cl)c1 254815771 DULFPJZDMCTTQX-KRWDZBQOSA-N 453.926 5.110 50 10 JKGE 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 257418117 FPFAZZFTBDKRJL-ROLQOMMJSA-N 496.688 6.212 50 10 JKGE biogenic ClCc1nc2cc(I)ccc2n1-c1ccc(OCc2ccccc2)cc1 311854170 WKBMIMOXSVTDRG-UHFFFAOYSA-N 474.729 5.948 50 10 JKGE Cc1cc(C)c([C@@H](Br)c2cc(Cl)cc(Br)c2)c(C)c1Br 312712349 FLWWELDRQFIGRY-INIZCTEOSA-N 481.453 7.275 50 10 JKGE ClCCc1nc2cnc3ccccc3c2n1CCCN(Cc1ccccc1)Cc1ccccc1 390467233 AVAGUCFBZMOOJF-UHFFFAOYSA-N 469.032 6.458 50 10 JKGE CC(C)(C)OC(=O)NCCN1CCCC[C@@H](c2ccccc2CO[Si](C)(C)C(C)(C)C)C1 616605850 WSWWRKFUOKYEDX-OAQYLSRUSA-N 462.751 6.303 50 10 JKGE Cl[C@@H](c1cc(Br)c(Br)s1)c1ccsc1Br 698670776 BELKDUVGSGSLHY-SSDOTTSWSA-N 451.430 6.425 50 10 JKGE O=C(NC[C@H]1CCCC[C@@H]1CBr)c1scc(Br)c1Br 707805698 IGDLMRJXNSDLLG-RKDXNWHRSA-N 474.056 5.204 50 10 JKGE COc1ccc([C@@H](Cl)c2scc(Br)c2Br)c(OC)c1Cl 707844757 UWTVLSYNXRFPCE-SNVBAGLBSA-N 461.002 6.272 50 10 JKGE Clc1cc(Br)c(OCc2ncc(Br)s2)c(CBr)c1 708139907 UAGHQLUPWRUKIY-UHFFFAOYSA-N 476.415 5.795 50 10 JKGE CC(C)(C)OC(=O)N1CCC2(CC1)Oc1ccccc1[C@H](Br)[C@H]2Br 725274580 XJGGDNUPCDAJDG-LSDHHAIUSA-N 461.194 5.048 50 10 JKGE CCCCCCCCCCOc1ccc(C(=O)NN=C2C[C@@H](C)Cc3cc(OC)ccc32)cc1 1084033419 SFIPMTKAYOWALQ-QFIPXVFZSA-N 464.650 6.931 50 10 JKGE O=C(Nc1ccccc1C(=O)NN=Cc1cccc(OCc2ccccc2)c1)c1cccs1 1084063318 FGPHJPUJHFWKSA-UHFFFAOYSA-N 455.539 5.343 50 10 JKGE COc1ccc2ccccc2c1C=NNC(=O)COc1ccc(C(C)(C)c2ccccc2)cc1 1084162144 GOEIWFCJEKWSJS-UHFFFAOYSA-N 452.554 5.703 50 10 JKGE CCCCCCCCCCOc1ccc(C(=O)NN=Cc2ccc(Cl)c([N+](=O)[O-])c2)cc1 1084323713 HNOSSHDZZFLTGW-UHFFFAOYSA-N 459.974 6.532 50 10 JKGE O=C(NN=C(CSc1nc2ccccc2s1)c1ccc(-c2ccccc2)cc1)c1cccnc1 1084343207 FDLAKSRRHYEJCU-UHFFFAOYSA-N 480.618 6.285 50 10 JKGE Cc1ccc(NC(=O)/C(C#N)=C\c2ccccc2OCc2ccc(Cl)cc2Cl)c(C)c1 1084365462 NRZUWSAFCZSJAE-NDENLUEZSA-N 451.353 6.735 50 10 JKGE Cc1cc(Br)ccc1N[C@H](c1cccs1)P(=O)(c1ccccc1)c1ccccc1 1088693591 MFDMJZKTZORRSB-DEOSSOPVSA-N 482.383 6.944 50 10 JKGE COc1ccc(/C(C#N)=C/c2cccc(OC(=O)c3ccc(Br)cc3)c2)cc1OC 1615067267 SLRRTVILWPTFNU-XDHOZWIPSA-N 464.315 5.750 50 10 JKGE Cc1c(C(=O)Nc2ccc(Cl)cn2)oc2c1C(=NNC(=O)c1cccc3ccccc13)CCC2 1772748182 OHQIZGHQOSQXFW-UHFFFAOYSA-N 472.932 5.512 50 10 JKGE CC(C)(C)c1ccc(OCCCC(=O)NN=Cc2cccc(Cl)c2)c(Br)c1 1772756015 XNMBOHFXXHSNAV-UHFFFAOYSA-N 451.792 5.709 50 10 JKGE O=C(N/N=C\c1cccc(OCc2ccccc2)c1)c1ccc(-c2ccc3ccccc3c2)s1 1860773912 JPFHZZLKVGXGCF-FSGOGVSDSA-N 462.574 6.911 50 10 JKGE N#CC1=C(N)Oc2c(c(C(F)(F)F)nn2Cc2cccc(Cl)c2)[C@@H]1c1cccc(Cl)c1 1865684307 WGONTDBRBXLTOL-MRXNPFEDSA-N 465.262 5.475 50 10 JKGE COc1ccc(-c2nn(-c3ccccn3)c3c2[C@@H](c2c(Cl)cccc2Cl)C(C#N)=C(N)O3)cc1 1865685343 HFECAJQOYVOQLG-HXUWFJFHSA-N 490.350 5.468 50 10 JKGE CCCCOc1ccc([C@@H]2C(C#N)=C(N)Oc3c2c(CCC)nn3Cc2ccccc2Cl)cc1 1865693800 ZEVBKFLNRMOJAG-XMMPIXPASA-N 477.008 5.934 50 10 JKGE N#CC1=C(N)Oc2c(c(-c3ccccc3)nn2Cc2ccccc2F)[C@H]1c1c[nH]c2ccccc12 1865699835 DLAZEMTXWLDGPB-XMMPIXPASA-N 461.500 5.437 50 10 JKGE COc1ccc(-c2nn(Cc3c(F)cccc3Cl)c3c2[C@H](c2ccncc2)C(C#N)=C(N)O3)cc1 1865702096 MMZGYLABIWUING-JOCHJYFZSA-N 487.922 5.013 50 10 JKGE COc1cccc([C@H]2C(C#N)=C(N)Oc3c2c(-c2ccccc2)nn3Cc2cc(C)ccc2C)c1 1865712435 YEVJHFOZPJNBQL-VWLOTQADSA-N 462.553 5.442 50 10 JKGE CC[C@H](CC(=O)N[C@@H](C)C(=O)Nc1ccc(SC#N)cc1)c1cc(Br)ccc1OC 1867129111 VILJZMFWBMFKIQ-LSDHHAIUSA-N 490.423 5.058 50 10 JKGE COc1cc2c(cc1OC)[C@H](C(C)C)N(c1cc(Nc3ccc(SC#N)cc3)nc(C)n1)CC2 1868480316 KNIONLVTHBYIMV-SANMLTNESA-N 475.618 5.879 50 10 JKGE N#C/C(=C\c1ccc(OCc2ccc(Br)cc2)cc1)c1cc2c(cc1[N+](=O)[O-])OCCO2 1872728596 KUKVJBCRGVUADQ-WOJGMQOQSA-N 493.313 5.772 50 10 JKGE CCn1c(/C(C#N)=C/c2ccc(OCC(=O)Nc3ccccc3)c(OC)c2)nc2ccccc21 1872730621 GZRRBFRIMSERCV-HMMYKYKNSA-N 452.514 5.146 50 10 JKGE COc1ccc(/C=C(C(/O)=C(\C#N)c2nc(-c3ccc(F)c(C)c3)cs2)\c2ccccc2)cc1 1872750160 ZKKQMNCTCKKJJI-IOMLJYNVSA-N 468.553 7.300 50 10 JKGE COc1ccc(C/C(O)=C(\C#N)c2nc(-c3cc(C(C)C)c(OC)cc3C)cs2)cc1OC 1872751475 JVCCETIJZDJPQA-XDOYNYLZSA-N 464.587 6.303 50 10 JKGE COc1ccc(-c2csc(/C(C#N)=C(\O)[C@H](C)Oc3ccc(Cl)cc3Cl)n2)cc1F 1872752702 OQDJZIXHKNTVDT-CJJSWDBDSA-N 465.333 6.525 50 10 JKGE CCCCCCCOc1ccc(-c2csc(/C(C#N)=C(\O)CCCOc3ccccc3C)n2)cc1 1872753137 IOSLFPNHWHMLHI-RFBIWTDZSA-N 490.669 8.120 50 10 JKGE Cc1cc(C)c(C)c(-c2csc(/C(C#N)=C(\O)CCc3nc4ccccc4[nH]c3=O)n2)c1C 1872754176 GPFFLTCAYAISNM-NKFKGCMQSA-N 456.571 5.706 50 10 JKGE CCCCCCCOc1ccc(-c2csc(/C(C#N)=C/c3cc(OC)c(OC)c(OC)c3)n2)cc1 1872792017 ZWGZPVDMIKXMAM-PXLXIMEGSA-N 492.641 7.249 50 10 JKGE CCOc1ccc(OCC)c(-c2csc(/C(C#N)=C/c3cccc(Br)c3)n2)c1 1872792629 ITCDZSLXSZVDRA-MHWRWJLKSA-N 455.377 6.434 50 10 JKGE CCCCOc1ccc(/C=C(\C#N)c2nc(-c3ccc(Oc4ccccc4)cc3)cs2)cc1OC 1872792959 ACTHWZASTUHATH-HAVVHWLPSA-N 482.605 7.854 50 10 JKGE COc1ccc(-c2csc(/C(C#N)=C/c3ccc(OC(=O)c4ccccc4)cc3)n2)cc1Cl 1872794833 YXCHGSUXBYVPSG-DEDYPNTBSA-N 472.953 6.755 50 10 JKGE CCCOc1ccc(-c2csc(/C(C#N)=C(\O)Cc3ccccc3[N+](=O)[O-])n2)cc1OCCC 1872818108 NGCAUPVNCJMZRA-QOCHGBHMSA-N 479.558 6.331 50 10 JKGE CC(C)c1ccc(O[C@@H](C)/C(O)=C(\C#N)c2nc(-c3ccc(-c4ccccc4)cc3)cs2)cc1 1873940719 DVRODOVNNWLKDG-DPXAEGEQSA-N 466.606 7.861 50 10 JKGE C[C@H](Cl)c1nc2c(Br)cc(F)cc2n1C[C@H]1CCN(Cc2ccccc2)C1 1912662711 BMEFNVACWHQRRV-HOCLYGCPSA-N 450.783 5.760 50 10 JKGE BrCC1(N(Cc2ccccc2)c2ncc(Br)c3ccsc23)CCC1 1915760856 SUTXIELWPHXWPV-UHFFFAOYSA-N 466.242 6.383 50 10 JKGE CN(Cc1ccc(Br)cc1Cl)C[C@@H](Br)COCc1ccccc1 1916364586 NGFDPJUIFWRAIS-QGZVFWFLSA-N 461.625 5.515 50 10 JKGE Cc1c(Br)sc([C@@H](Br)c2coc(Br)c2)c1Br 1922895577 XDWZAOJZNVXXII-QMMMGPOBSA-N 493.840 6.421 50 10 JKGE Cc1c(Br)sc([C@H](Cl)c2cc(F)c(F)c(F)c2F)c1Br 1922921262 PDBQWGHCVHDHQU-SSDOTTSWSA-N 452.492 6.466 50 10 JKGE Fc1ccccc1C[C@H](Br)c1c(Br)sc(Br)c1Cl 1923038887 KZFQYNYSXSISMY-ZETCQYMHSA-N 477.418 6.744 50 10 JKGE Clc1c(Br)cccc1[C@@H](Br)Cc1ccncc1Br 1924053030 QELSQTAVLMWFDM-NSHDSACASA-N 454.387 5.939 50 10 JKGE Fc1cccc(Br)c1[C@@H](Cl)c1c(Cl)sc(Br)c1Cl 1925586797 DCIXWFCCUXTEAN-MRVPVSSYSA-N 453.385 7.047 50 10 JKGE C[C@@H]1C[C@@H](N(C)c2ccc(Br)cc2CBr)CN1Cc1ccccc1 1949203132 AIFVZBARUVTACN-DNVCBOLYSA-N 452.234 5.443 50 10 JKGE Clc1cc([C@H](Br)c2c(Cl)sc(Br)c2Cl)sc1Cl 1950178290 SJLJCKLWCJWZMF-YFKPBYRVSA-N 475.869 7.670 50 10 JKGE CCn1cc(Br)c([C@H](Cl)c2cc(Br)c(Br)s2)n1 2010563002 NHCQHINIVJVSQR-MRVPVSSYSA-N 463.420 5.580 50 10 JKGE Cc1sc(C)c(CNCCSSCCNC(=O)OC(C)(C)C)c1Br 2010826355 AQHCFRMMDFUEBP-UHFFFAOYSA-N 455.509 5.123 50 10 JKGE CCCN[C@H](c1c(Br)sc(Br)c1Br)[C@@H]1C[C@@H]1Cl 2020444619 APPFMVGAUAHAMC-JHEQGTHGSA-N 466.464 5.704 50 10 JKGE O=C(NN=CC=Cc1ccccc1[N+](=O)[O-])c1ccc(CSc2nc3ccccc3s2)cc1 2053578001 GUEBBIGVFRFMEE-UHFFFAOYSA-N 474.567 5.926 50 10 JKGE C[C@H](C1CC1)N(Cc1ccccc1)S(=O)(=O)c1ccc(Br)c(CBr)c1 2059389983 IUCKUOPZNRIERW-CQSZACIVSA-N 487.257 5.333 50 10 JKGE C#Cc1ccc(-c2ccc(C(=O)N[C@@H](CCCNC(=N)CCl)c3nc4ccccc4[nH]3)cc2)cc1 2060345160 RBCGEWKNPOWJEI-VWLOTQADSA-N 484.003 5.268 50 10 JKGE CC(C)(C)OC(=O)N1CCC[C@@](CBr)(OCc2cc(Cl)ccc2Br)C1 2080303747 HXLUNJOHWKFEEB-SFHVURJKSA-N 497.655 5.784 50 10 JKGE CCCCCCCCC(CCCCCCCC)OC(=O)CCCCCCCBr 2081021849 KHEPAYMMEKWSAW-UHFFFAOYSA-N 461.569 9.135 50 10 JKGE C[C@H](c1ccncc1)[C@@H](Br)c1ccc(Br)cc1I 2086149271 LSIZNTDLGXEALE-YMTOWFKASA-N 480.969 5.688 50 10 JKGE CCC[C@@H]1CC[C@H](Br)[C@H](Cc2ccc(Br)cc2Br)C1 2092268468 XOPPXQZOGGCIES-ZLDLUXBVSA-N 453.056 6.734 50 10 JKGE O=C(N[C@@H]1CCCCC[C@@H]1Br)c1c(Br)cccc1Br 2094088254 IZWGMQGHDNJORW-JOYOIKCWSA-N 454.000 5.038 50 10 JKGE C[C@@H]1CC[C@H](CC(CBr)(CBr)c2cccc(Br)c2)C1 2101720722 COSZFOVYPUTMAJ-OLZOCXBDSA-N 453.056 6.303 50 10 JKGE ClCc1nc2cc(Br)c(Cl)cc2n1C[C@H]1CCCN1Cc1ccccc1 2103625491 XNUFWKCCURTKRA-OAHLLOKOSA-N 453.211 5.856 50 10 JKGE O=C(OCc1ccccc1)N1CCC2(CC1)CCN2CCCCCCCCCBr 2106784969 MJQBTPOGRXRWBR-UHFFFAOYSA-N 465.476 5.989 50 10 JKGE BrCc1ccc(Br)cc1N1CC[C@@]2(CCCN(Cc3ccccc3)C2)C1 2107016776 FZWAQXQULNHSIG-JOCHJYFZSA-N 478.272 5.837 50 10 JKGE O=C(c1cc(Br)c(Br)s1)N1CC[C@@H](CBr)C12CCC2 2133825483 OPQOSCHETJWKPS-QMMMGPOBSA-N 472.040 5.053 50 10 JKGE Cc1cc(Br)c(C)c([C@H](Br)[C@@H]2C[C@H]2C(C)(F)F)c1Br 2136369940 GWPAQVFJVFCUCI-JRKPZEMJSA-N 460.982 6.556 50 10 JKGE Cc1c(Br)ccc([C@H](Br)C2C[C@@H]3[C@@H](C2)C3(C)C)c1Br 2138862006 IEGACDDTOKZKCQ-LALPHHSUSA-N 451.040 6.638 50 10 JKGE C[C@]1([C@H](Br)c2ccc(Br)cc2Br)CCCC(F)(F)C1 2138871698 OWTBEDJHKMIBIV-OLZOCXBDSA-N 460.982 6.863 50 10 JKGE Cc1cc(F)c(F)cc1[C@@H](Br)c1ccc(Br)cc1Br 2139643348 ORNWEWBIEROVQE-AWEZNQCLSA-N 454.934 6.283 50 10 JKGE Cc1c(Br)cccc1COc1c(Br)cc(Br)cc1CCl 2143690876 GIYRJOCEZPELJH-UHFFFAOYSA-N 483.425 6.600 50 10 JKGE Brc1scc([C@H](Br)Cc2cc3ccccc3cn2)c1Br 2151352245 HSQKPCOFEGYLPT-CYBMUJFWSA-N 476.031 6.500 50 10 JKGE COc1cccc([C@H](Br)CCc2ccc(Br)cc2Br)c1 2155652523 BYKCUESNPJXOJT-OAHLLOKOSA-N 463.007 6.289 50 10 JKGE Clc1c(Br)sc(Br)c1[C@@H](Cl)C1CC2(C1)CC1(CCC1)C2 2157156253 KXBHSIRPMLEPTN-JTQLQIEISA-N 459.074 7.567 50 10 JKGE C[C@H]([C@H]1CCN(Cc2ccccc2)C1)n1c(CCl)nc2cc(Br)c(Cl)cc21 2159869756 BKVTYSLWFHKVLF-ZBFHGGJFSA-N 467.238 6.274 50 10 JKGE O=C(NC[C@H]1CCCC[C@@H](Br)C1)c1ccc(Br)cc1Br 2163745259 GNJJOCIKJHPZMG-WDEREUQCSA-N 468.027 5.285 50 10 JKGE O=C(NCC[C@@H]1CCCC[C@@H]1Br)c1ccc(Br)cc1Br 2179635426 LWRLIHSZTBTAGQ-GWCFXTLKSA-N 468.027 5.285 50 10 JKGE C[C@@H]1OC2(CC(CBr)(CBr)c3cccc(Br)c3)CC1C2 2188987097 VEUYRYHLOKZSHY-FZWSLVFFSA-N 467.039 5.434 50 10 JKGE Cc1cc(Br)c(C)c([C@@H](Br)C2(S(C)(=O)=O)CCC2)c1Br 2201080187 WWQNGJLEHSUIBA-CYBMUJFWSA-N 489.067 5.232 50 10 JKGE COc1cc(F)c([C@@H](Cl)c2ccc(I)c(Cl)c2)cc1Br 2202902607 SOGFPEJYLOOKGU-AWEZNQCLSA-N 489.937 6.183 50 10 JKGE COc1cc(F)c(F)cc1[C@@H](Br)c1ccc(Br)cc1Br 2204499718 YHLIHGHFYQAESP-AWEZNQCLSA-N 470.933 5.983 50 10 JKGE Fc1cc(Br)c(Br)cc1[C@@H](Cl)c1csc(Br)c1 2213491836 JAORUXFSGNZMCV-NSHDSACASA-N 463.391 6.503 50 10 JKGE CC(F)(F)C1([C@@H](Br)c2cc(Br)c(Br)cc2F)CC1 2218598010 PZMBAXCHQPFEBT-JTQLQIEISA-N 450.918 6.222 50 10 JKGE Cc1c(Br)sc([C@@H](Br)c2cc(Cl)ccc2Br)c1C 2218788630 DROPIFSEFYUUGA-NSHDSACASA-N 473.455 7.028 50 10 JKGE Fc1ccc(Cl)c(F)c1[C@@H](Br)c1cc(Br)c(Br)s1 2219412710 PVGIHXNDAPYVAM-VIFPVBQESA-N 481.381 6.689 50 10 JKGE Brc1scnc1[C@H](Br)c1ccc2c(c1Br)CCO2 2222199094 UFAMSPYCFGOSMT-SNVBAGLBSA-N 453.981 5.087 50 10 JKGE CC[C@@H](C)[C@@H](CI)NCc1c(Br)sc2ccccc12 2224703171 WQTQQTVOPVNGFY-ZWNOBZJWSA-N 452.199 5.603 50 10 JKGE CO[C@@H]1CCC[C@@H]([C@H](Br)c2cc(Br)c(Br)cc2F)C1 2225616566 GLESBSCOISQEHT-NUPCCRGMSA-N 458.991 5.992 50 10 JKGE Cc1csc([C@@H](Br)c2c(C)c(Br)cc(C)c2Br)c1C 2225886928 RVFBRBNVPKIPEE-AWEZNQCLSA-N 467.064 6.991 50 10 JKGE Clc1cc(Br)c([C@H](Br)C2CC3(CCCC3)C2)c(Cl)c1Cl 2232527942 FUBWBHYUYVSXOJ-GFCCVEGCSA-N 461.452 7.816 50 10 JKGE Cc1cc(Br)c([C@@H](Br)[C@H]2C[C@@H]3CC[C@H](C2)O3)c(C)c1Br 2235608792 LSTCPSNGMQELHF-OVZMXSCWSA-N 467.039 6.222 50 10 JKGE Cc1cc([C@H](Cl)c2ccc3c(c2Br)CCO3)ccc1I 2238067423 PQFJLYWVRZQTHB-INIZCTEOSA-N 463.540 5.625 50 10 JKGE FC1(CC(CBr)(CBr)c2ccccc2Br)CCOCC1 2238309666 MIBFTSPIYATUEX-UHFFFAOYSA-N 473.018 5.386 50 10 JKGE Fc1cc(Br)c(F)c(Br)c1[C@H](Cl)[C@H]1C[C@H](Br)C1 2250747732 PRSKWMQSLJBEFO-FJNYAOGASA-N 453.346 5.943 50 10 JKGE Brc1cc([C@H](Br)c2cc3sc(Br)cc3s2)co1 2252909177 KFYWDRBCQMZROO-NSHDSACASA-N 457.006 6.565 50 10 JKGE COc1ccc([C@@H](Cl)c2ccc(Br)c(F)c2)cc1I 2269538936 CNJJUMSDTXGEKT-AWEZNQCLSA-N 455.492 5.530 50 10 JKGE C[C@@H]1C[C@@H]2C[C@@H]2C[C@H]1[C@H](Br)Cc1cc(Br)cc(Br)c1 2277950354 VCRUXYUWQVPEAX-OBOJTPGXSA-N 451.040 6.200 50 10 JKGE COc1cc(Cl)c(Cl)cc1[C@H](Br)c1ccc(F)cc1I 2279055736 DZPCCMSTJUMDKX-CQSZACIVSA-N 489.937 6.230 50 10 JKGE Fc1cc(Br)ccc1CO[C@@H](CBr)c1ccccc1Br 2281415458 YXBQMQZNZUBFPN-HNNXBMFYSA-N 466.970 6.004 50 10 JKGE COc1cc(Cl)c(Cl)cc1[C@H](Br)c1cccc(Cl)c1Br 2283192799 BJQNSIMFZHMIKO-CYBMUJFWSA-N 459.392 6.902 50 10 JKGE COc1ccc([C@H](Br)c2c(Br)nn(C)c2C)c(Br)c1Cl 2283553295 PIFYVYDAYVXURX-JTQLQIEISA-N 487.417 5.400 50 10 JKGE Clc1ccc([C@H](Br)Cc2nc3ccccc3s2)cc1I 2283581591 HUTLBDKETFRLLN-SNVBAGLBSA-N 478.580 6.233 50 10 JKGE COc1cc(C)c(Br)c(C)c1[C@H](Cl)c1ccc(I)cc1 2285081085 ZEZYMVNLFOIGCM-MRXNPFEDSA-N 465.556 6.007 50 10 JKGE FC(F)[C@@H]1CCC[C@H]1COc1c(Br)cc(CBr)cc1Br 2285557704 HFJZZWJFSBVLPM-VHSXEESVSA-N 476.981 6.167 50 10 JKGE COc1ccc(Br)c2c1nc([C@@H](C)Cl)n2[C@H](C)CCOCc1ccccc1 2286086559 ZKHIEKFGGFSVFW-HUUCEWRRSA-N 451.792 6.275 50 10 JKGE CC(C)[C@@H](CBr)N(Cc1ccccc1)c1cccc(C(F)(F)C(F)(F)F)n1 2286738657 WOCFGDVRTSIGBD-OAHLLOKOSA-N 451.277 6.162 50 10 JKGE FC1CC2(C1)CC(CO[C@@H](CI)c1ccccc1Br)C2 2288340378 MWMDUCBHBZWARN-WYDTTWCOSA-N 453.133 5.470 50 10 JKGE Cc1c(Br)ccc([C@@H](Cl)c2cscc2S(C)(=O)=O)c1Br 2288500744 KQKADJACHVYRQW-CYBMUJFWSA-N 458.624 5.313 50 10 JKGE O=C(NN=CC(Br)=Cc1ccccc1)c1cc(-c2ccc(Cl)cc2Cl)[nH]n1 2293462067 JVWUREFKOSSJIK-UHFFFAOYSA-N 464.150 5.535 50 10 JKGE COc1ccc(-n2c(SCC(=O)NN=CC=Cc3ccccc3)nnc2-c2ccc(C)cc2)cc1 2293727247 FXKHCXQGHRYROC-UHFFFAOYSA-N 483.597 5.159 50 10 JKGE Brc1cc(Br)cc(C[C@@H](Br)c2cc3ncccc3s2)c1 2295344900 FRJJIWOKIKXVBM-GFCCVEGCSA-N 476.031 6.500 50 10 JKGE CCCCOc1ccc(-c2nn(-c3ccccc3)cc2C=C(C#N)c2nc3ccccc3s2)cc1 2296706681 ISTMWAOBXSTCIH-UHFFFAOYSA-N 476.605 7.392 50 10 JKGE Cc1ccc2nc(C(C#N)=Cc3cc(Cl)ccc3OCc3c(F)cccc3Cl)[nH]c2c1 2296739273 NMKMUYNSVABGRG-UHFFFAOYSA-N 452.316 6.960 50 10 JKGE CCOc1ccccc1NC(SCc1ccccc1F)=C(C#N)C(=O)NCc1cccs1 2297414588 QJYNCTYBGZVTNE-UHFFFAOYSA-N 467.591 5.683 50 10 JKGE FC1(F)CC(C[C@H](Br)c2cc(Br)ccc2OCc2ccccc2)C1 2299526638 ZTPOYRHJRBIAMU-KRWDZBQOSA-N 460.156 6.900 50 10 JKGE Brc1cc(OCc2ccccc2)ccc1[C@H](Br)CC1CCOCC1 2299530412 LPTUJAKYGBIOCV-LJQANCHMSA-N 454.202 6.281 50 10 JKGE CC(C)[C@H](CBr)COCc1ccc(I)c(Br)c1 2306307374 PIIJMLCVLFKZSB-LLVKDONJSA-N 475.990 5.237 50 10 JKGE Clc1c(Br)sc(Br)c1[C@H](Br)C[C@H]1CCC[C@@H]2C[C@@H]21 2309957921 QHOOUJRHJDCATI-LURQLKTLSA-N 477.487 7.189 50 10 JKGE COc1cccc(C=C(C#N)C(=O)Nc2cccc(Cl)c2)c1OCc1ccc(Cl)cc1Cl 2313631496 RBPIWLPUAITBCX-UHFFFAOYSA-N 487.770 6.780 50 10 JKGE CCOc1cc(C=C(C#N)C(=O)NCc2ccc(OC)cc2)ccc1OCc1ccc(Cl)cc1 2313681169 PTBKNMADLCXGIB-UHFFFAOYSA-N 476.960 5.550 50 10 JKGE Clc1ccc([C@@H](Cl)c2ccc(OCc3ccccc3)cc2Br)c(Cl)c1 2314452960 SANSBPWENIKLGF-FQEVSTJZSA-N 456.594 7.663 50 10 JKGE Cc1ccc2c(O)nc(C(C#N)=Cc3cn(-c4ccccc4)nc3-c3cccc4ccccc34)nc2c1 2314490199 WAEVMDUKTAJRMB-UHFFFAOYSA-N 479.543 6.714 50 10 JKGE Cc1sc([C@H](Br)c2cc(Br)ccc2OCc2ccccc2)c(C)c1C 2314495195 OSYNSXWAKAWILU-HXUWFJFHSA-N 480.265 7.499 50 10 JKGE N#CC(=Cc1ccc2noc(-c3ccc(Cl)cc3)c2c1)C(=O)Nc1ccc(Cl)cc1Cl 2314572082 SCRGTEKYSQEGBM-UHFFFAOYSA-N 468.727 7.001 50 10 JKGE Cc1ccc(C[C@H]2SC(=C(C#N)C(=O)Nc3ccccc3)N(c3ccc(C(C)C)cc3)C2=O)cc1 2314593573 PLOZYBMUSFGYPM-AREMUKBSSA-N 481.621 6.183 50 10 JKGE N#CC1=C(N)Oc2cc(OC(=O)C=Cc3ccc(Cl)cc3)ccc2[C@H]1c1c(Cl)cccc1Cl 2314634405 NAWVPWOLARJIRO-HSZRJFAPSA-N 497.765 6.484 50 10 JKGE N#CC(=Cc1ccc(OC(=O)C(=Cc2ccccc2)c2ccccc2)cc1)C(=O)NCc1ccco1 2314754716 ZEDSHWPEINFEMN-UHFFFAOYSA-N 474.516 5.649 50 10 JKGE Cc1nc(-c2ccc(Cl)cc2)ccc1C(=O)NN=Cc1cccc(OCc2ccccc2)c1 2321213154 VSCCPXOJWRSGFF-UHFFFAOYSA-N 455.945 6.053 50 10 JKGE N#CSc1ccc(NC=C(C#N)C(=O)N2CCN(C(c3ccccc3)c3ccccc3)CC2)cc1 2324606046 PHSWURRIVQKNSF-UHFFFAOYSA-N 479.609 5.013 50 10 JKGE CCCC[C@H](NC(=O)C=C(CC)c1ccc(OC)cc1)C(=O)Nc1ccc(SC#N)cc1 2329551171 MENCZUAYQUJALV-QHCPKHFHSA-N 451.592 5.375 50 10 JKGE CCOC(=O)c1c(-c2ccc(Br)cc2)csc1NC(=O)C(C#N)=Cc1ccc(C)cc1 2329632702 BHRFXHFCYNHIGV-UHFFFAOYSA-N 495.398 6.208 50 10 JKGE N#CC(=Cc1c(OCc2ccc(F)cc2)ccc2ccccc12)S(=O)(=O)c1ccc(Cl)cc1 2331030609 OALPCQYKDGYVOC-UHFFFAOYSA-N 477.944 6.550 50 10 JKGE N#CC(=C(O)Cc1cc(Cl)ccc1Cl)c1nc(-c2ccc(Cl)cc2Cl)cs1 2331250653 QAPLWCULVRNRMG-UHFFFAOYSA-N 456.181 7.459 50 10 JKGE CC(C)c1ccc(O[C@H](C)C(O)=C(C#N)c2nc(-c3ccc(Br)cc3)cs2)cc1 2331260448 JTYRDTLFXLSEOX-OAHLLOKOSA-N 469.404 6.956 50 10 JKGE CC(C)c1ccc(-c2csc(C(C#N)=C(O)[C@H](C(C)C)N3C(=O)c4ccccc4C3=O)n2)cc1 2331340500 HSZTWSYNBUEQOH-QHCPKHFHSA-N 471.582 6.047 50 10 JKGE COc1cc(OC)c(-c2csc(C(C#N)=C(O)c3cc(Cl)ccc3OC)n2)cc1Cl 2331378603 GSXIWXGVLYCCOQ-UHFFFAOYSA-N 463.342 6.093 50 10 JKGE COc1ccc(-c2csc(C(C#N)=C(O)c3ccccc3C(=O)c3ccccc3)n2)c(OC)c1 2331385772 IGGRIZXALNFRFZ-UHFFFAOYSA-N 468.534 6.008 50 10 JKGE CCOc1cc(C=C(C#N)c2nc(-c3ccc(OC)cc3)cs2)ccc1OCc1ccccc1C 2331431533 SOGSUFAFNPBFNF-UHFFFAOYSA-N 482.605 7.169 50 10 JKGE CCOc1c(Br)cc(C=C(C#N)c2nc(-c3cccc(Cl)c3)cs2)cc1OC 2331439823 RQZDWTLJOBECHO-UHFFFAOYSA-N 475.795 6.697 50 10 JKGE COC1(C(F)(F)[C@@H](Br)c2cc(Br)ccc2OCc2ccccc2)CCC1 2336053909 NEQSFPYTOITLET-SFHVURJKSA-N 490.182 6.669 50 10 JKGE Fc1c(Br)cc(Cl)c([C@H](Br)[C@@H]2CCCC23CC3)c1Br 2337082753 PUYBYLZEIAXPBY-WRWORJQWSA-N 475.421 7.020 50 10 JKGE COc1ccc(C[C@H](Cl)c2cc(Br)sc2Br)c(Br)c1 2338884778 JDPOXYLBAMFZFP-NSHDSACASA-N 489.454 6.567 50 10 JKGE COc1c(Br)cc(C)c([C@H](Cl)c2ccoc2Br)c1Br 2339638488 BFJNIBPUAOSOOS-LLVKDONJSA-N 473.386 6.212 50 10 JKGE FC1(F)CC[C@H](Br)[C@H](Cc2ccc(Cl)cc2I)CC1 2341027604 LZFZYSYBZOGBHA-CABZTGNLSA-N 463.531 6.076 50 10 JKGE CC(C)[C@@H](CBr)N(Cc1ccccc1)C(=O)CCc1cc(Cl)cc(Cl)c1 2341155178 ACLDYEBSKLGXKG-HXUWFJFHSA-N 457.239 6.374 50 10 JKGE C[C@@H](c1ccncc1F)[C@@H](Cl)c1ccc(I)c(Br)c1 2344698806 NEVCBABSTQZWCR-RMLUDKJBSA-N 454.508 5.671 50 10 JKGE Cc1ccc(CCl)c(OCc2ccc(I)c(Br)c2)c1 2349811714 YPQSJOACZSZVAP-UHFFFAOYSA-N 451.529 5.680 50 10 JKGE C[C@@H]1CN(Cc2ccc(I)c(Br)c2)CC[C@@H]1CCCl 2349860093 HLSBSJGZJVIHRL-YPMHNXCESA-N 456.593 5.141 50 10 JKGE Cc1ccc([C@H](Cl)c2c(F)cc(Cl)c(Br)c2Cl)c(Br)c1 2360403046 WQEURJSELPJDNT-ZDUSSCGKSA-N 461.383 7.294 50 10 JKGE Fc1cc(Cl)c(Br)c(Cl)c1[C@H](Br)C1(CC(F)F)CCC1 2360407589 PFKKQOBTPRLORX-LBPRGKRZSA-N 454.939 7.157 50 10 JKGE FC(F)Oc1ccccc1[C@H](Br)c1cc(Br)ccc1OCc1ccccc1 2361212763 XYBYSOOBNBIYDR-FQEVSTJZSA-N 498.161 7.114 50 10 JKGE Clc1ccc(CN2C[C@@H]3CCCC[C@]3(CBr)C2)c(I)c1 2366705695 YZQVHRXEWWUIBJ-BBRMVZONSA-N 468.604 5.332 50 10 JKGE Cc1cc(Br)c(C(C)C)cc1[C@@H](Cl)c1ccc(I)cc1 2380928206 WXFZRYQWUQFDCL-KRWDZBQOSA-N 463.584 6.814 50 10 JKGE CCSc1ccsc1[C@@H]1C(C#N)=C(N)N(c2cc([N+](=O)[O-])ccc2Cl)C2=C1C(=O)CCC2 2480037 KIPICEGAZQZMLY-LJQANCHMSA-N 487.006 5.726 50 10 JKGE O=C(N/N=C/c1c(O)ccc2ccccc12)c1cccc(NC(=O)c2cccc(Br)c2)c1 27520018 ZIRDYFUQINZBCR-JFLMPSFJSA-N 488.341 5.324 50 10 JKGE O=C(COc1ccc(Cl)cc1Cl)N/N=C/c1cc([N+](=O)[O-])ccc1OCc1cccc(F)c1 27520729 INGKIILLFIRAQI-KBKYJPHKSA-N 492.290 5.149 50 10 JKGE COc1ccc(/C(C#N)=C\c2ccc(OC(=O)c3ccc(Br)o3)cc2)cc1OC 31901040 CZXDLUBCIFSGBJ-WJDWOHSUSA-N 454.276 5.343 50 10 JKGE CCOC(=O)c1ccc(-c2ccc(/C=C3/C(=O)N(Cc4ccc(F)cc4)C(=O)C(C#N)=C3C)o2)cc1 38608681 MKNURHPRLSXBEV-OEAKJJBVSA-N 484.483 5.055 50 10 JKGE CC(C)(C)c1ccc(C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@H]3c2ccccc2Cl)cc1 38650958 TWNWKYWXVYPPHM-DEOSSOPVSA-N 458.945 6.075 50 10 JKGE N#CC1=C(N)Oc2cc(OC(=O)c3ccc(Br)cc3)ccc2[C@H]1c1ccccc1Cl 38650971 CPMUJZRXGJOZDC-OAQYLSRUSA-N 481.733 5.540 50 10 JKGE Cc1ccc2[nH]c(-c3ccc4ccccc4n3)c(CCCC(=O)NNC(=O)c3ccc(F)cc3)c2c1 39867309 IIHXQVMDWBVYGG-UHFFFAOYSA-N 480.543 5.615 50 10 JKGE CCOc1ccc([C@@H](O)CCC(=O)N/N=C\c2cc(C)n(-c3ccc(Cl)cc3Cl)c2C)cc1 58894505 IUDJXOYGQQBIMN-CGNQLUSGSA-N 488.415 5.764 50 10 JKGE N#C/C(=C/c1ccc(OCc2ccc(Cl)c(Cl)c2)cc1)C(=O)Nc1ccc(Cl)c(Cl)c1 59117588 JOJKMWGJYNHVLO-SXGWCWSVSA-N 492.189 7.425 50 10 JKGE Cc1ccc(C(=O)N/N=C/c2ccc(Oc3ccc([N+](=O)[O-])cc3[N+](=O)[O-])cc2)cc1Cl 59156321 ZTHZDBZTCBDCAX-FSJBWODESA-N 454.826 5.021 50 10 JKGE Cc1sc(-n2c(C)cc(/C=N/NC(=O)c3cc4cc(Br)ccc4o3)c2C)c(C#N)c1C 59304552 OGERHZVSEVZHKK-KBKYJPHKSA-N 495.402 5.917 50 10 JKGE C[C@@H]1CCCC[C@H]1NC(=O)[C@@H](c1ccccc1Cl)N(CCC1=CCCCC1)C(=O)CCl 97914374 QHIUIHVOUXBIFR-IHLLOCCUSA-N 465.465 6.034 50 10 JKGE Cc1cc(C(=O)/C(C#N)=C(/S)Nc2ccccc2)c(C)n1-c1ccc(Br)cc1 102937936 XXHPOBUBUOKARB-LSDHQDQOSA-N 452.377 5.816 50 10 JKGE CCCCCCCC(=O)N/N=C1\C(=O)N(Cc2ccc(F)cc2)c2ccc(Br)cc21 104990292 FEYWZRONGPGEJL-QYQHSDTDSA-N 474.374 5.316 50 10 JKGE CCOc1ccccc1N/C(SCc1cccc(F)c1)=C(\C#N)C(=O)NCc1cccs1 105422601 KXGNFHXFNQDISE-GFMRDNFCSA-N 467.591 5.683 50 10 JKGE Clc1ccc(CC(CBr)(CBr)c2ccccc2Br)cc1 118878914 XYQBFKAREWLEIA-UHFFFAOYSA-N 481.453 6.373 50 10 JKGE Cc1cc(Br)c([C@H](Br)c2ccc(Br)c(C(F)(F)F)c2)s1 124619177 TXKIXCOGTIYUGK-LLVKDONJSA-N 492.980 7.085 50 10 JKGE C[C@@H]1CCC[C@](CBr)(NC(=O)c2cc(Br)c(Br)s2)C1 124978558 MXIUVTPMBSPMJH-OQPBUACISA-N 474.056 5.347 50 10 JKGE COc1cc([C@H](Br)c2cc(C)cc(Br)c2)c(OC)cc1Br 134293525 QDZIUZKUNBBMNW-MRXNPFEDSA-N 479.006 6.022 50 10 JKGE C[C@H](Cl)c1nc2cc(F)c(Br)cc2n1Cc1sccc1Br 158669520 YKSPTUZPGVGCHI-ZETCQYMHSA-N 452.574 6.110 50 10 JKGE COc1ccc([C@H](Br)c2cccc(Cl)c2Cl)c(OC)c1Br 224862925 AJULLOQCGHAELJ-GFCCVEGCSA-N 454.973 6.257 50 10 JKGE CC[C@@H](C)c1ccc([C@@H](Br)c2ccc(Br)cc2Br)cc1 233865442 GWSSYSPOLQGPMM-PIGZYNQJSA-N 461.035 7.209 50 10 JKGE Cc1cc([C@H](Br)c2ccc(Cl)c(Br)c2)sc1Br 235861419 AFXDYBCAYICTGL-LLVKDONJSA-N 459.428 6.719 50 10 JKGE Cc1cccc([C@@H](Br)c2ccc(Br)s2)c1I 235928323 ZBCPRCMBULZEDW-LLVKDONJSA-N 471.983 5.908 50 10 JKGE N#Cc1ccc(C=NNC(=O)c2cc(-c3ccc(-c4ccccc4)cc3)nc3ccccc23)cc1 254400018 YQYVDUSECSSQOA-UHFFFAOYSA-N 452.517 6.204 50 10 JKGE ClCCc1nc2c(Br)cccc2n1-c1cccc(I)c1 312942633 PXTFQVKYXBGXKM-UHFFFAOYSA-N 461.528 5.174 50 10 JKGE COc1ccc([C@@H](Br)c2cc(Br)ccc2I)s1 384012037 PYYLQDXAORFNJA-LBPRGKRZSA-N 487.982 5.608 50 10 JKGE COCc1cc(Br)c([C@@H](Cl)c2ccc(I)cc2)s1 688114452 NYURQVGQELSKIQ-LBPRGKRZSA-N 457.558 5.590 50 10 JKGE Fc1ccc2nc(CCl)n(C[C@@H]3CCCN(Cc4ccccc4)C3)c2c1Br 689793476 MDDNMEDNWFWUCD-MRXNPFEDSA-N 450.783 5.589 50 10 JKGE Fc1cc([C@@H](Cl)c2scc(Br)c2Br)c(F)cc1Br 705439489 RHPDROSFBVKVGE-SNVBAGLBSA-N 481.381 6.642 50 10 JKGE Brc1cc([C@H](Br)[C@@H]2CCC[C@@H]3CCCC[C@@H]32)c(Br)s1 714457364 RCNZWWOHAYNTCG-KZWBYHQPSA-N 471.096 7.316 50 10 JKGE C[C@H]1C[C@@H](COc2c(Br)cc(Br)cc2CBr)C[C@@H](C)O1 724392340 LFWTVYYDGREROK-URLYPYJESA-N 471.027 5.689 50 10 JKGE O=C(N[C@H](CCBr)C1CCCC1)c1ccc(I)c(Cl)c1 725036011 BUJSKRVVZBFOQH-CQSZACIVSA-N 470.576 5.018 50 10 JKGE CCOc1ccc([C@@H](O)CCC(=O)NN=Cc2cc(C(C)(C)C)c(O)c(C(C)(C)C)c2)cc1 725401749 UQFBRJKMFHUKOS-QHCPKHFHSA-N 454.611 5.350 50 10 JKGE COc1ccc(Cl)cc1NC(=O)C(=O)NN=Cc1cc(C)n(-c2cccc(Cl)c2Cl)c1C 1084566684 IUGXESQYXQSDMD-UHFFFAOYSA-N 493.778 5.152 50 10 JKGE CC1(C)[C@H](C=C(Cl)Cl)[C@H]1C(=O)NN=C(c1ccc(Cl)cc1)c1ccc(Cl)cc1 1088668441 OVUQNGKEDDOPAT-AEFFLSMTSA-N 456.200 6.453 50 10 JKGE CC(C)(C)OC(=O)NCCSSCCN[C@@H]1CCC2(CCN(C(=O)OC(C)(C)C)CC2)C1 1254733650 MWNNVKBUKSICSK-GOSISDBHSA-N 489.748 5.052 50 10 JKGE N#CC1=C(N)Oc2c(c(C(F)(F)F)nn2Cc2c(F)cccc2Cl)[C@@H]1c1ccccc1Cl 1865686467 WHHWCCKACMPMHE-MRXNPFEDSA-N 483.252 5.614 50 10 JKGE COc1ccc2ccccc2c1[C@@H]1C(C#N)=C(N)Oc2c1c(C(F)(F)F)nn2-c1ccc(C)cc1 1865688428 RUNKYOYHZINRGR-NRFANRHFSA-N 476.458 5.580 50 10 JKGE CCCCCOc1ccc([C@@H]2C(C#N)=C(N)Oc3c2c(C)nn3Cc2ccc(C)cc2)cc1OC 1865695140 LAYGRZADFOMURA-AREMUKBSSA-N 472.589 5.344 50 10 JKGE CCCc1nn(-c2cccc(Cl)c2)c2c1[C@H](c1cccc(OCc3ccccc3)c1)C(C#N)=C(N)O2 1865711758 HLWQMBXVEZLIPY-AREMUKBSSA-N 496.998 6.275 50 10 JKGE Cc1nc(-c2ccc(Cl)cc2Cl)ccc1C(=O)NNC(=O)c1ccc(Cl)cc1F 1865759622 JZADFFJMLBICKE-UHFFFAOYSA-N 452.700 5.231 50 10 JKGE CCc1ccc(-c2nc(CC(=O)N[C@](C)(CC)C(=O)Nc3ccc(SC#N)cc3)c(C)o2)cc1 1867180777 WNURCBXTQWKERE-AREMUKBSSA-N 476.602 5.252 50 10 JKGE COc1cc(/C=C(\C#N)c2nc3ccc(C)cc3[nH]2)ccc1OCc1ccc(C(C)(C)C)cc1 1872728168 QPIPAFPYOSAZNS-PXLXIMEGSA-N 451.570 6.821 50 10 JKGE CCc1ccc(-c2csc(/C(C#N)=C(O)/C=C/c3cc(Br)c(OC)c(OC)c3)n2)cc1 1872744070 GELFECVSWYLYPF-BMGGISQYSA-N 497.414 6.658 50 10 JKGE COc1c(C)cc(C)cc1-c1csc(/C(C#N)=C(\O)c2cc([N+](=O)[O-])cc([N+](=O)[O-])c2)n1 1872754781 ITLBEMOLYPKDMW-ZPHPHTNESA-N 452.448 5.202 50 10 JKGE COc1ccc(-c2csc(/C(C#N)=C(O)/C(=C\c3ccccc3)c3ccccc3)n2)c(OC)c1 1872755230 DMYVEESKBDNMAM-VWYRUGKKSA-N 466.562 6.861 50 10 JKGE CCCCOc1ccc(/C=C(\C#N)c2nc(-c3cc(OCC)ccc3OCC)cs2)cc1OCC 1872792660 KNYFLDQPVFBXCK-RCCKNPSSSA-N 492.641 7.249 50 10 JKGE Cc1nsc(Br)c1[C@@H](Cl)c1cc(I)cc2c1OCC2 1912974523 IIWPGWNNMQUVFO-NSHDSACASA-N 470.557 5.082 50 10 JKGE CN(C[C@@H](Br)COCc1ccccc1)C(=O)c1cccc(Br)c1Cl 1916383066 BVEXHBGZPHRCIN-CQSZACIVSA-N 475.608 5.155 50 10 JKGE Cc1c(Br)sc([C@H](Cl)c2sncc2Br)c1Br 1922906253 HXFQPDBUYTTZEK-ZCFIWIBFSA-N 466.445 6.129 50 10 JKGE COCc1csc([C@H](Cl)c2c(Br)sc(Br)c2Cl)c1 1923066924 WRFYZYSKHBLGRB-QMMMGPOBSA-N 451.032 6.463 50 10 JKGE CC(C)c1ccc([C@@H](Br)c2c(Br)sc(Br)c2Cl)cc1 1923068613 UMXIITZFVCPJPQ-LLVKDONJSA-N 487.482 7.534 50 10 JKGE CC(C)(C)OC1CC([C@H](Cl)c2c(Br)sc(Br)c2Br)C1 1924568237 DFUDKDLGPQDAMS-QIMWKCOFSA-N 495.502 6.909 50 10 JKGE Cl[C@@H](C[C@H]1CCCO1)c1c(Br)sc(Br)c1Br 1924581046 WSGNKCVPHRNXPZ-RITPCOANSA-N 453.421 5.885 50 10 JKGE C[C@@H]1C[C@H]([C@@H](Cl)c2c(Br)sc(Br)c2Br)[C@@H](C)O1 1924611963 HUEBUZTYVCAISE-NDDNGWRZSA-N 467.448 6.129 50 10 JKGE CC1([C@@H](Cl)c2c(Br)sc(Br)c2Br)CC(F)(F)C1 1924612968 PILGLICTCRGQOY-LURJTMIESA-N 473.402 6.751 50 10 JKGE CC(C)C(C)(C)[C@@H](Br)c1c(Br)sc(Br)c1Br 1924616595 QTTBMFVUTQXDOM-QMMMGPOBSA-N 497.916 7.154 50 10 JKGE Clc1sc(Br)c(Cl)c1[C@@H](Br)[C@H]1CCc2ccccc2C1 1925600628 SIAKMVONRUCZHN-JQWIXIFHSA-N 455.042 7.059 50 10 JKGE Cl[C@H](c1c(Br)c(Br)cc(Br)c1Br)C1CCC1 1995047033 CRRKJYWDGXORNF-NSHDSACASA-N 496.262 6.817 50 10 JKGE CO[C@@H]1CC[C@H]([C@H](Br)c2c(Br)sc(Br)c2Cl)C1 2006339782 GJBITQVBZLDYGT-BBVRLYRLSA-N 467.448 6.178 50 10 JKGE C[C@]1(C(F)F)C[C@H]1[C@@H](Br)c1c(Br)sc(Br)c1Cl 2008185388 DAWDCWXVRWFMHE-KQJWSSGTSA-N 473.402 6.654 50 10 JKGE Cc1c([C@@H](Cl)c2sc(Br)cc2Br)c(Br)nn1C 2014541590 KHLNSHVOEJSRBV-MRVPVSSYSA-N 463.420 5.406 50 10 JKGE COc1cc(Cl)c([C@@H](Br)c2cc(Br)cs2)cc1Br 2082371606 IXWGGYYFUZZAGT-GFCCVEGCSA-N 475.427 6.419 50 10 JKGE CC1(C)C[C@@H]1CCCOc1c(Br)cc(CBr)cc1Br 2088157814 LQNJTFIJXUALOL-NSHDSACASA-N 455.028 6.312 50 10 JKGE CCc1sc(Br)cc1[C@H](Br)c1ccc(OC)c(Br)c1 2090680610 HOMMFQKMSBJJQQ-CQSZACIVSA-N 469.036 6.328 50 10 JKGE CCc1nn(-c2ccc(Br)cc2CBr)c(CC)c1I 2093917743 SEJWCOQVDBRMNY-UHFFFAOYSA-N 498.000 5.259 50 10 JKGE Brc1ccc([C@@H](Br)c2cscc2OCc2ccccc2)c2ccccc12 2100094522 YAOSWYKONCSFDW-JOCHJYFZSA-N 488.244 7.727 50 10 JKGE C[C@@H]1CN(Cc2ccccc2)C[C@@H]1n1c(CCl)nc2cc(Cl)c(Br)cc21 2112692382 FIBXYJZBZPSOMN-YJYMSZOUSA-N 453.211 5.884 50 10 JKGE CC(C)(CBr)N(Cc1ccccc1)C(=O)c1cc(Br)cc(C(F)(F)F)c1 2115771792 MQMDPPJMZUJUTN-UHFFFAOYSA-N 493.161 6.284 50 10 JKGE Clc1cscc1CC(CBr)(CBr)c1ccc(Br)cc1 2120344230 MZVWJLIRZUOARE-UHFFFAOYSA-N 487.482 6.434 50 10 JKGE CC(C)(C)OC(=O)NCCSSCCNCc1cccc2c1N(C(=O)OC(C)(C)C)CCC2 2125299675 VFJBSRZJCWFLSC-UHFFFAOYSA-N 497.727 5.370 50 10 JKGE O=C(c1cc(Br)ccc1[N+](=O)[O-])N(Cc1ccccc1)[C@H](CBr)C1CC1 2129200442 UPSDYHYNSZRASH-GOSISDBHSA-N 482.172 5.173 50 10 JKGE Cc1cc(Br)c(C)c([C@@H](Cl)c2c(C)nsc2Br)c1Br 2136368193 VLAKNHQYEQWYBM-GFCCVEGCSA-N 488.470 6.684 50 10 JKGE COc1cc(F)c([C@H](Br)c2ccccc2I)cc1Br 2138163750 YQZGEMGMKJZKOM-CQSZACIVSA-N 499.943 5.686 50 10 JKGE COc1c(Cl)cc(Br)cc1[C@H](Cl)c1ccccc1OCc1ccccc1 2138240061 GPYNPMJTIGAXNF-HXUWFJFHSA-N 452.175 7.018 50 10 JKGE CCCN(c1ccc(F)c(Cl)c1CBr)C1CCN(Cc2ccccc2)CC1 2143596548 ASKWJISKQJCVDZ-UHFFFAOYSA-N 453.827 6.255 50 10 JKGE Clc1cc([C@@H](Cl)c2c(Br)cccc2Br)c(Cl)c(Cl)c1Cl 2150496291 UAGRZEYWTYIWMH-SNVBAGLBSA-N 498.256 8.153 50 10 JKGE C[C@H](Cl)c1nc2cc(Br)c(Cl)cc2n1[C@H]1CCCN(Cc2ccccc2)C1 2160079302 BFMWXNGFBXRQGS-HOCLYGCPSA-N 467.238 6.589 50 10 JKGE COc1cc(F)c([C@H](Br)c2cc(I)ccc2F)c(F)c1 2169667923 KNCRYCPZEZDTBB-CQSZACIVSA-N 457.027 5.201 50 10 JKGE Brc1ccc(CN2C[C@H](Br)C3(CCCCC3)C2)c(Br)c1 2174372086 UURQWJZUEBWWRE-HNNXBMFYSA-N 466.055 5.741 50 10 JKGE Cc1cc(Br)c(C)c([C@H](Br)C2C[C@H]3CCC[C@@H]3C2)c1Br 2201070450 BPYMZQKWPWPAMQ-PSTGCABASA-N 465.067 7.091 50 10 JKGE COc1cc(F)c([C@H](Br)c2c(Cl)cccc2Br)cc1Br 2202902954 XOVWPFTYVPHNJI-AWEZNQCLSA-N 487.388 6.497 50 10 JKGE Cc1c(Br)ccc([C@H](Br)C2CC3(C2)CC(C)(C)C3)c1Br 2203687110 WJDOOAVWKXVPRI-OAHLLOKOSA-N 465.067 7.172 50 10 JKGE O=C(Nc1cccc(CCCl)c1)c1ccc(Br)cc1I 2207272456 NTCSKPHEZMXGGT-UHFFFAOYSA-N 464.528 5.087 50 10 JKGE Cl[C@H](Cc1sc(Br)c(Br)c1Br)c1cccnc1 2216422191 UMAWXOFEYVRLLK-SSDOTTSWSA-N 460.416 5.953 50 10 JKGE Fc1cc(Br)c(Br)cc1[C@H](Br)C(F)(F)C(F)(F)F 2218598711 VQBZVXZFBKMTMT-ZETCQYMHSA-N 464.823 5.984 50 10 JKGE CCCC[C@@H](CC)[C@H](Br)c1c(Br)cc(Cl)c(Cl)c1Cl 2224303256 UZXYKCALDIDQQM-PELKAZGASA-N 451.457 8.062 50 10 JKGE CC(C)([C@H](Br)c1c(Br)cc(Cl)c(Cl)c1Cl)S(C)(=O)=O 2224303477 XLVMJRXBXYPIPQ-SNVBAGLBSA-N 473.441 5.669 50 10 JKGE Clc1ccccc1C(CBr)(CBr)Cc1cscc1Br 2227115296 KKGPPXQPSUKQJB-UHFFFAOYSA-N 487.482 6.434 50 10 JKGE Cc1cc(Br)c([C@@H](Br)C(C)(C)C(C)(F)F)c(C)c1Br 2227361016 YWBJARQNAYTSBP-GFCCVEGCSA-N 462.998 6.946 50 10 JKGE COc1cc(C)c(Br)cc1[C@H](Br)c1sc(C)cc1Br 2229326311 VFHZTMGOGCMOMB-ZDUSSCGKSA-N 469.036 6.383 50 10 JKGE C[C@H](Cl)c1nc2c(F)cc(Br)cc2n1[C@@]1(C)CCN(Cc2ccccc2)C1 2232918132 HCSDBHAVPFASFH-QKKBWIMNSA-N 450.783 5.859 50 10 JKGE Fc1cc(Br)c(Br)cc1[C@H](Cl)c1csc(C(F)(F)F)c1 2233969473 KDGAMADRJQVGDZ-LLVKDONJSA-N 452.492 6.759 50 10 JKGE Fc1cccc([C@@H](Cl)c2ccc3c(c2Br)CCO3)c1I 2238073767 KQVDROBHHGJYIF-AWEZNQCLSA-N 467.503 5.456 50 10 JKGE CCCCCc1ccc([C@H](Br)c2cc(C)ccc2I)s1 2241002625 WIYRXQWICKVWBX-QGZVFWFLSA-N 463.222 6.878 50 10 JKGE O=C(c1c(F)cccc1I)N(Cc1ccccc1)[C@H](CCl)C1CC1 2247979710 PIPJXCCUMZWRBF-QGZVFWFLSA-N 457.714 5.090 50 10 JKGE C[C@H](Br)CN(C(=O)c1scc(Br)c1Br)C(C)(C)C 2259800929 BWNIFVSVXFBZEE-ZETCQYMHSA-N 462.045 5.297 50 10 JKGE CC1([C@@H](Br)c2c(F)cc(Br)c(F)c2Br)CC(F)C1 2260065754 OCSBZFFVCXMBKC-JTIOZCSCSA-N 450.918 6.064 50 10 JKGE Cc1csc([C@@H](Cl)Cc2cc(Br)cc(Br)c2)c1Br 2263508856 GFJJKASRDGUBLJ-NSHDSACASA-N 473.455 6.867 50 10 JKGE COCC1([C@H](Br)c2c(Cl)sc(Br)c2Cl)CC(F)(F)C1 2278208922 IFSBZECSUXBGSH-SSDOTTSWSA-N 458.977 6.315 50 10 JKGE COc1ccc(Br)c2c1nc(CCCl)n2CCCN(C)Cc1ccccc1 2286082894 CIJWYPACKJHWDM-UHFFFAOYSA-N 450.808 5.111 50 10 JKGE CCCCCOC(=O)c1ccc(NC(=O)C(C#N)=Cc2ccc(-c3ccccc3[N+](=O)[O-])o2)cc1 2293038733 WRARIBVWIFEAJA-UHFFFAOYSA-N 473.485 5.747 50 10 JKGE CCOc1cc(C=C(C#N)c2nc(-c3cc4c(ccc5ccccc54)oc3=O)cs2)ccc1O 2296663415 LPWAEDWSRORNCO-UHFFFAOYSA-N 466.518 6.238 50 10 JKGE CCCOc1ccc(-c2nn(-c3ccccc3)cc2C=C(C#N)c2nc3ccccc3n2C)cc1 2296728840 ZTPXTXOWMJMCPI-UHFFFAOYSA-N 459.553 6.279 50 10 JKGE N#CC(=Cc1ccc(N2N=C(c3ccccc3)C[C@@H]2c2ccccc2)cc1)c1nc2ccccc2s1 2297612504 QOIWGUPMZWCCFI-GDLZYMKVSA-N 482.612 7.716 50 10 JKGE C=CCOc1ccc(C=NNC(=O)c2ccc(-c3csc(Nc4ccc(C)cc4)n3)cc2)cc1OC 2297635277 DZOMVCZRCRBUCE-UHFFFAOYSA-N 498.608 6.199 50 10 JKGE CC[C@@H]1OCC[C@H]1[C@@H](Br)c1cc(Br)ccc1OCc1ccccc1 2299493052 KDOGTLCNTMCQAL-IMFGXOCKSA-N 454.202 6.279 50 10 JKGE CCCC[C@@H](CC)[C@H](Br)c1cc(Br)ccc1OCc1ccccc1 2299536577 ZITQDOHSISWALD-UTKZUKDTSA-N 454.246 7.681 50 10 JKGE FC1(F)[C@@H]2CC[C@@H]([C@H](Br)c3sc(Cl)cc3I)[C@@H]21 2300956918 HCVDYRMZSUUDPB-NBOWERDSSA-N 453.517 5.733 50 10 JKGE Brc1cc(C[C@@H]2CCSCC[C@H]2Br)ccc1I 2306200403 XIGQUYTXOGUBTH-WDEREUQCSA-N 490.042 5.503 50 10 JKGE N#CC(=Cc1ccccc1OCc1ccc(F)cc1)C(=O)Nc1sc2c(c1C#N)CCCC2 2313630815 VEYRSCSAUJEBJV-UHFFFAOYSA-N 457.530 5.762 50 10 JKGE Cc1c(Cl)cccc1NC(=O)C(C#N)=Cc1cccc(OCc2ccc(Cl)cc2Cl)c1 2313666995 APYJRDDYOILMBQ-UHFFFAOYSA-N 471.771 7.080 50 10 JKGE CC1([C@H](Br)c2cc(Br)ccc2OCc2ccccc2)CC2(CCC2)C1 2314443821 IKSIWYJIMYZXLJ-HXUWFJFHSA-N 464.241 7.435 50 10 JKGE C[C@@]12CC[C@@]([C@H](Br)c3ccc(OCc4ccccc4)cc3Br)(CO1)C2 2314446177 RVVYBHWVXXZLFT-HKBOAZHASA-N 466.213 6.423 50 10 JKGE CC[C@@H](C[C@@H](Br)c1ccc(OCc2ccccc2)cc1Br)C(C)(C)C 2314453871 ACOMMQDMQWVRFJ-FXAWDEMLSA-N 468.273 7.927 50 10 JKGE COc1cccc([C@H](Br)c2ccc(OCc3ccccc3)cc2Br)c1 2314499649 FJWRQSLQGAQCIE-NRFANRHFSA-N 462.181 6.521 50 10 JKGE CCCCCCOc1ccc(C=C(C#N)C(=O)Nc2nc(-c3ccccc3)cs2)cc1OC 2314717624 GXWFIWRDYZXVSW-UHFFFAOYSA-N 461.587 6.323 50 10 JKGE CC12CC(C1)[C@@H]([C@@H](Cl)c1c(Br)sc(Br)c1Br)CO2 2315914800 SOFJCXFPMGBWRN-WAGWKDLVSA-N 479.459 6.131 50 10 JKGE C[C@]12C[C@H](C1)[C@H]([C@@H](Cl)c1c(Br)sc(Br)c1Br)CO2 2315930015 SOFJCXFPMGBWRN-JCRVUAEBSA-N 479.459 6.131 50 10 JKGE CC(C)(C)c1ccccc1NC=C(C#N)C(=O)N1CCN(C(c2ccccc2)c2ccccc2)CC1 2324607187 PAPAULBSARMGEG-UHFFFAOYSA-N 478.640 5.737 50 10 JKGE C[C@@H](CCCCCI)NCc1cc(I)ccc1Cl 2327395190 OBMMQJRWZHPKSB-NSHDSACASA-N 491.582 5.418 50 10 JKGE CC(C)[C@H](NC(=O)OC(C)(C)C)C(=O)NN=Cc1c(OCc2ccc(F)cc2)ccc2ccccc12 2328833313 OTTQARVIHQQQSK-VWLOTQADSA-N 493.579 5.557 50 10 JKGE CCOC(=O)c1c(NC(=O)C(C#N)=Cc2ccc(Br)cc2)sc2c1CC[C@H](C)C2 2329663770 MZPSCMVCKKFNFV-ZDUSSCGKSA-N 473.392 5.358 50 10 JKGE COc1ccc(OCC(O)=C(C#N)c2nc(-c3cccc(Br)c3)cs2)c(C(C)(C)C)c1 2331278695 CLEWLGTYXSTVAB-UHFFFAOYSA-N 499.430 6.750 50 10 JKGE CCCCOc1ccc(C=C(C#N)c2nc(-c3ccc(CCCC)cc3)cs2)cc1OCC 2331429287 LNMVLLYVCLPQQT-UHFFFAOYSA-N 460.643 7.794 50 10 JKGE COc1ccc(-c2csc(C(C#N)=Cc3ccccc3OCc3ccc(Cl)cc3)n2)c(C)c1C 2331468191 IYSHOASYCVLVCL-UHFFFAOYSA-N 487.024 7.732 50 10 JKGE COc1c(C)cc(C)cc1-c1csc(C(C#N)=Cc2ccc(OCc3ccc(Cl)cc3)cc2)n1 2331469866 FCWTWIGKPVYDKU-UHFFFAOYSA-N 487.024 7.732 50 10 JKGE Fc1c(Br)cc(Cl)c([C@H](Br)[C@@H]2[C@@H]3CCOC[C@H]32)c1Br 2337082324 KGCVIDJLDZZQMV-LIUHEQGWSA-N 477.393 5.723 50 10 JKGE Clc1ccc(C[C@H](CBr)C2CCCCCC2)c(I)c1 2341053063 VZQAGUPBZKHRPP-CQSZACIVSA-N 455.605 6.469 50 10 JKGE Cc1cc(Br)c(C)c([C@@H](Br)[C@H]2C[C@@H]3O[C@H]2[C@H]2C[C@@H]32)c1Br 2357916892 LVLHSLCMUWTIJL-TUHUFKNRSA-N 465.023 5.688 50 10 JKGE Fc1ccc2cc([C@@H](Cl)c3ccc(OCc4ccccc4)cc3Br)sc2c1 2361194148 FZDYCZNRELBGEG-QFIPXVFZSA-N 461.783 7.710 50 10 JKGE CCc1occ(C)c1[C@@H](Br)c1c(Cl)cc(Br)c(F)c1Br 2362226992 YWDBMRSQOQBPSL-GFCCVEGCSA-N 489.404 6.952 50 10 JKGE C[C@@H]1CCC[C@@]12[C@@H](OCc1cc(Br)cc(Br)c1)C[C@H]2Br 2362239195 LCTYYZICFDQCGI-HGGPSHQYSA-N 467.039 6.070 50 10 JKGE COc1c(Br)cc(C)c([C@H](Br)[C@@H]2C[C@@H]2C(C)(C)C)c1Br 2365188044 HKDDNMSULUHNDC-GBIKHYSHSA-N 469.055 6.647 50 10 JKGE CC[C@](C)(C(F)F)[C@@H](Br)c1c(C)cc(Br)c(OC)c1Br 2365219778 SAAZERWYHSSASI-JSGCOSHPSA-N 478.997 6.646 50 10 JKGE C[C@@H]1CC2CC([C@@H](Br)c3c(F)cc(Br)c(F)c3Br)(C2)O1 2368129568 XGVMSMOKEMXLIR-QJSBWAJCSA-N 474.965 5.883 50 10 JKGE COc1c(F)cc([C@@H](Br)c2cc(I)ccc2F)cc1F 2370456620 OQSVSEAOIIXRTO-CYBMUJFWSA-N 457.027 5.201 50 10 JKGE CCOC(=O)c1c(-c2ccc(Br)cc2)csc1NC(=O)/C(C#N)=C\c1ccccc1O 33736815 WLZKWEPYHFOXDM-WJDWOHSUSA-N 497.370 5.606 50 10 JKGE CCOc1cccc(-c2nn(-c3ccccc3)cc2/C=C(\C#N)S(=O)(=O)c2ccccc2)c1 35446454 BGAWHEHUZYKYFT-KOEQRZSOSA-N 455.539 5.276 50 10 JKGE CC(C)(C)c1ccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4ccccc4Cl)ccc32)cc1 38649701 HLCLRPYIPIXDPB-XMMPIXPASA-N 458.945 6.075 50 10 JKGE CCCCOc1ccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4cccc(C)c4)ccc32)cc1 38650746 KABDVIFHBAWNLU-SANMLTNESA-N 454.526 5.611 50 10 JKGE N#CC1=C(N)Oc2cc(OC(=O)c3cccc([N+](=O)[O-])c3)ccc2[C@H]1c1c(Cl)cccc1Cl 38680099 FPVBECDMHVBFHJ-HXUWFJFHSA-N 482.279 5.339 50 10 JKGE O=C(c1cc(Cl)sc1Cl)N(/N=C/c1cccs1)c1nc2ccc(F)cc2s1 39714007 WUBZAZCIPZHCOJ-ODCIPOBUSA-N 456.376 6.546 50 10 JKGE CCCCCCOc1ccc(/C=C(\C#N)C(=O)Nc2ccc(C(=O)OCCOC)cc2)cc1OC 40853598 NKLGKKNOXUEGLN-OQKWZONESA-N 480.561 5.003 50 10 JKGE COC(=O)c1c(NC(=O)/C(C#N)=C/c2ccc(Cl)cc2)sc(C)c1-c1cccc(Cl)c1 41013085 PVXBBNQEKYHRDU-MHWRWJLKSA-N 471.365 6.363 50 10 JKGE Cc1cccc(COc2c(Cl)cc(/C=N/NC(=O)c3cc4ccccc4o3)cc2Br)c1 59303740 BCPNEBWMNUXZBL-UVHMKAGCSA-N 497.776 6.500 50 10 JKGE Cc1ccc(C)c(OCCCC(C)(C)C(=O)NNC(=O)c2ccc(OCCC(C)C)cc2)c1 66201470 VLBDKGUKCMAXPJ-UHFFFAOYSA-N 454.611 5.375 50 10 JKGE Brc1ccc([C@H](Br)c2cc(Br)sc2Br)cc1 71101493 LMOJDTROKWKDIN-JTQLQIEISA-N 489.852 6.520 50 10 JKGE COc1ccc(/C=C(\C#N)C(=O)Nc2ccc(C)c(Nc3nccc(-c4cccnc4)n3)c2)cc1 91351701 XNCXZLXGQNGEOF-KGENOOAVSA-N 462.513 5.145 50 10 JKGE N#C/C(=C\Nc1ccc(C(N)=O)cc1)c1nc(-c2cc3c(ccc4ccccc43)oc2=O)cs1 102934609 JFUBJGJOQYKZPM-GHRIWEEISA-N 464.506 5.145 50 10 JKGE Cc1ccc(-c2c(C)sc3ncn(CC(=O)/C(C#N)=C4/Nc5ccccc5S4)c(=O)c23)cc1C 103908146 BOYVDHWVIQIUJD-MOHJPFBDSA-N 484.606 5.572 50 10 JKGE Brc1cc([C@H](Br)c2csc3ccccc23)c(Br)s1 104028841 AXCJCROMUCHEET-LBPRGKRZSA-N 467.045 6.972 50 10 JKGE COc1cc(C)c(Br)cc1[C@H](Br)c1cc(Br)ccc1Cl 115866854 WYGSEUPFRHUIEH-OAHLLOKOSA-N 483.425 6.666 50 10 JKGE Fc1cccc(C(CBr)(CBr)Cc2ccc(Br)cc2)c1 118877809 RRCNGDRYCOFZJV-UHFFFAOYSA-N 464.998 5.859 50 10 JKGE Fc1ccc(Br)cc1CC(CBr)(CBr)c1ccccc1Cl 118878038 UPFJDDWAIRGEHA-UHFFFAOYSA-N 499.443 6.512 50 10 JKGE Fc1ccc(Br)cc1CC(CBr)(CBr)C1CCCC1 128733091 PHVXWUKZEVAZOS-UHFFFAOYSA-N 457.019 6.097 50 10 JKGE COc1ccc([C@@H](Br)c2cc(Cl)ccc2Br)cc1Br 234973815 XVOBCVPWRGKBKZ-CQSZACIVSA-N 469.398 6.358 50 10 JKGE Fc1cccc(F)c1C[C@H](Br)c1cc(Br)cc(Br)c1 236188458 IQPAMKBFVVSDKR-LBPRGKRZSA-N 454.934 6.169 50 10 JKGE O=C(Cc1cccc2ccccc12)NN=Cc1cn(CC(=O)Nc2ccc(F)cc2)c2ccccc12 254320795 VCWHFJCWIPEVOX-UHFFFAOYSA-N 478.527 5.265 50 10 JKGE Cc1ccc(C=NNC(=O)c2ccc(-n3c(-c4ccccc4)ccc3-c3ccccc3)cc2)s1 254347629 GEMSXHJXBJGNAN-UHFFFAOYSA-N 461.590 6.945 50 10 JKGE C[C@@H](CCn1c(CCCl)nc2cc(F)c(Br)cc21)N(C)Cc1ccccc1 379613800 XOCKKVOZFYVQQU-HNNXBMFYSA-N 452.799 5.630 50 10 JKGE COc1cc(Br)c([C@@H](Br)c2ccc(OCc3ccccc3)cc2)cc1OC 380788571 HSEBOJFVLNNVGI-QFIPXVFZSA-N 492.207 6.530 50 10 JKGE CC(C)(C)OC(=O)N1C[C@@H](CI)[C@@H](c2cccc(Cl)c2Cl)C1 394758033 SPQSUJHORVHTEX-PWSUYJOCSA-N 456.151 5.379 50 10 JKGE Clc1ccc(I)c(C[C@]2(CBr)CCO[C@@H]2C2CC2)c1 405539378 QUTXWDILCKSGEH-CABCVRRESA-N 455.561 5.067 50 10 JKGE CN(C(=O)OC(C)(C)C)c1cccc([C@@H]2CCCCCN2CCO[Si](C)(C)C(C)(C)C)c1 616625450 NNDJTVVSXBYROL-QHCPKHFHSA-N 462.751 6.997 50 10 JKGE CC(C)(C)OC(=O)NCCN1C[C@@H](c2ccccc2CO[Si](C)(C)C(C)(C)C)Cc2ccccc21 616673124 VPSNYSANHYALTE-DEOSSOPVSA-N 496.768 6.879 50 10 JKGE ClCCc1nc2cccc(Br)c2n1-c1ccccc1I 697731629 VXLAJEHYWHSHMX-UHFFFAOYSA-N 461.528 5.174 50 10 JKGE Fc1cc(Br)c(Cl)cc1[C@H](Br)c1ccsc1Br 698695589 SXFPEVKTYLVIAP-SNVBAGLBSA-N 463.391 6.550 50 10 JKGE ClCc1nc2c(Cl)cccc2n1CC1(N(Cc2ccccc2)Cc2ccccc2)COC1 705869074 IGXFMIKOLXLYPH-UHFFFAOYSA-N 466.412 5.900 50 10 JKGE C[C@@]12CN(Cc3ccccc3)C[C@]1(C)CN(c1ccc(CBr)c(Br)c1)C2 705955837 PWUSUNILHFKNPE-SZPZYZBQSA-N 478.272 5.692 50 10 JKGE CN(Cc1ccccc1)[C@@H](Cn1c(CCl)nc2cc(I)ccc21)C1CC1 717972448 BHKOLLYORJBOHS-FQEVSTJZSA-N 479.793 5.290 50 10 JKGE C[C@@H](COCc1ccccc1)CC(CBr)(CBr)c1ccc(Cl)cc1 719435536 BCICMRAEWIKYJX-MRXNPFEDSA-N 474.664 6.611 50 10 JKGE COc1ccc2ccccc2c1C=NNC(=O)COc1ccc2ccccc2c1Br 725382608 IZPGKGKXINKTON-UHFFFAOYSA-N 463.331 5.293 50 10 JKGE O=C(NN=Cc1ccc(-c2ccc(Cl)c(Cl)c2)o1)c1cc2cc(Br)ccc2o1 1084220192 NGMKRDRETSMZHM-UHFFFAOYSA-N 478.129 6.526 50 10 JKGE O=C(NN=Cc1ccc(-c2ccc(Br)cc2[N+](=O)[O-])o1)c1ccccc1Br 1084266708 DFKJXVPUICRIPW-UHFFFAOYSA-N 493.111 5.144 50 10 JKGE COc1cc(/C=C(/C#N)C(=O)Nc2ccc(C)c(C)c2)cc(Br)c1OCc1ccccc1 1084287862 VYVHPQGZSYTLRU-MTJSOVHGSA-N 491.385 6.199 50 10 JKGE O=C(CSc1c(Cl)c(Cl)c(Cl)c(Cl)c1Cl)NN=Cc1cccc(F)c1 1084417399 MJKSDLWGGPJVHN-UHFFFAOYSA-N 460.572 6.335 50 10 JKGE CCN(CC)c1ccc(-n2c(C)cc(/C=C(\C#N)C(=O)Nc3cccc(Cl)c3Cl)c2C)cc1 1084588174 RDOUDEOEWKTDIV-HMMYKYKNSA-N 481.427 6.793 50 10 JKGE O=C(COc1ccc(Cl)cc1Cl)NN=Cc1ccc(OCc2cccc3ccccc23)cc1 1084598640 QAMUXQUPFNTVNG-UHFFFAOYSA-N 479.363 6.255 50 10 JKGE N#C/C(=C/c1ccc(OC(=O)c2ccc(Cl)cc2)cc1)C(=O)Nc1cc([N+](=O)[O-])ccc1Cl 1084658075 VZLXHGSUNSHDEV-WJDWOHSUSA-N 482.279 5.666 50 10 JKGE COc1ccc2c(c1)C(=NNC(=O)CCCOc1ccc(Cl)cc1Cl)C(=O)N2CCC(C)C 1772719880 KGKSORVWQLOZGK-UHFFFAOYSA-N 492.403 5.074 50 10 JKGE CC(C)(C)c1ccc([C@H]2C(C#N)=C(N)Oc3c2c(-c2ccccc2)nn3-c2ccc(Cl)cc2)cc1 1865682762 XEXCOFKPPJZAKH-DEOSSOPVSA-N 480.999 6.708 50 10 JKGE N#CC1=C(N)Oc2c(c(C(F)(F)F)nn2Cc2ccc(Cl)cc2)[C@H]1c1c(F)cccc1Cl 1865684974 CHPLDZINIFFYBU-OAHLLOKOSA-N 483.252 5.614 50 10 JKGE CCCc1nn(Cc2ccc(Cl)cc2)c2c1[C@H](c1c(OC)ccc3ccccc13)C(C#N)=C(N)O2 1865688115 JSZBLWDBPUCLHG-VWLOTQADSA-N 484.987 5.917 50 10 JKGE CCCCOc1ccc([C@@H]2C(C#N)=C(N)Oc3c2c(-c2ccccc2)nn3-c2ccccc2)cc1 1865692184 KDWMXCFSXNEIDN-RUZDIDTESA-N 462.553 5.936 50 10 JKGE CCCCOc1ccc([C@H]2C(C#N)=C(N)Oc3c2c(C)nn3Cc2cc(C)ccc2C)cc1OC 1865696813 LCARMNUHVKSFFK-SANMLTNESA-N 472.589 5.262 50 10 JKGE N#CC1=C(N)Oc2c(c(-c3ccccc3)nn2Cc2ccccc2Cl)[C@H]1c1ccccc1O 1865708187 QDXPUORPCUBSNI-QFIPXVFZSA-N 454.917 5.176 50 10 JKGE Cc1nc(-c2ccc(F)c(F)c2)ccc1C(=O)NNC(=O)/C=C/c1cccc(OCc2ccccc2)c1 1865757106 NEUYZQBFAFXUBS-XNTDXEJSSA-N 499.517 5.389 50 10 JKGE COc1ccc(/C=C2\Oc3c(ccc(OCc4cccc(CCl)c4)c3C)C2=O)c(OC)c1OC 1871436947 DOJGVLQAIRZDSZ-QRVIBDJDSA-N 480.944 5.955 50 10 JKGE Cc1ccc2c(c1)nc(/C(C#N)=C/c1ccccc1OCc1ccc(Br)cc1)n2C 1872728171 QSPPCXQMBIPCPI-XSFVSMFZSA-N 458.359 6.287 50 10 JKGE N#C/C(=C\c1ccc(OCc2ccc(Cl)cc2Cl)cc1)c1cc2c(cc1[N+](=O)[O-])OCCO2 1872728587 KLVPCZMDVJUQCH-RQZCQDPDSA-N 483.307 6.316 50 10 JKGE COc1ccc(-c2csc(/C(C#N)=C(\O)[C@@H](C)Oc3ccccc3C(C)C)n2)cc1OC 1872745317 HLFZUIPYEOIMMS-PWEHGMCJSA-N 450.560 6.211 50 10 JKGE COc1ccc(-c2csc(/C(C#N)=C(\O)c3ccc4c(c3)C(=O)N(c3ccc(F)cc3)C4=O)n2)cc1 1872745803 DDSNFGXXZOJNNU-GYHWCHFESA-N 497.507 5.708 50 10 JKGE COc1ccc(C(C)(C)C)cc1-c1csc(/C(C#N)=C(\O)COc2ccc(Cl)c(C)c2)n1 1872751813 VFVTXKSFSFPMTB-QOCHGBHMSA-N 469.006 6.950 50 10 JKGE Cc1cc(C)c(C)c(-c2csc(/C(C#N)=C(\O)CCN3C(=O)c4ccccc4C3=O)n2)c1C 1872754505 WCZXLDRPOWRWGP-XDOYNYLZSA-N 457.555 5.523 50 10 JKGE Cc1ccc(C(C)(C)C)cc1-c1csc(/C(C#N)=C(\O)c2cccc(Br)c2)n1 1872755743 CYRURRYDZJAMJU-VZCXRCSSSA-N 453.405 7.128 50 10 JKGE COc1cc(Cl)c(C)cc1-c1csc(/C(C#N)=C(\O)[C@@H]2CC(=O)N([C@H](C)c3ccccc3)C2)n1 1872756980 LCTMCTCGEITOHK-NXYLUXQOSA-N 494.016 6.183 50 10 JKGE COc1cc(Cl)c(C)cc1-c1csc(/C(C#N)=C(\O)[C@H](C)Oc2ccccc2C(C)C)n1 1872757127 RKZQZGYIRRFJRT-WGCOJADFSA-N 469.006 7.164 50 10 JKGE CCOc1ccc(/C=C/C(O)=C(\C#N)c2nc(-c3ccc(OC)c(OC)c3OC)cs2)cc1OC 1872759161 GKENRDCFNNQXNV-PECCUKLLSA-N 494.569 5.749 50 10 JKGE CCOc1cc(/C=C(\C#N)c2nc(-c3ccc(OC)c(F)c3)cs2)cc(Br)c1O 1872792285 PSSKXEUPQGKBQE-MKMNVTDBSA-N 475.339 5.889 50 10 JKGE CC[C@H](C)[C@H](NC(=O)OC(C)(C)C)C(=O)N/N=C/c1cccc(OCc2ccccc2Cl)c1 1873793344 KGNSNQSEEVLKBU-HUQXMHCUSA-N 474.001 5.309 50 10 JKGE C[C@H](CCCl)N(Cc1ccccc1)S(=O)(=O)c1ccc(Br)cc1Cl 1915070356 VVNBNQKOQRYZKU-CYBMUJFWSA-N 451.213 5.311 50 10 JKGE Cc1ccc(Br)c([C@H](Cl)c2sc(Br)cc2Br)c1 1922942175 QONKZSHAKQIMDS-NSHDSACASA-N 459.428 6.672 50 10 JKGE Cc1c(Br)sc([C@@H](Br)c2cc(Cl)ccc2F)c1Br 1922955439 ZJJYQMFXRPRZQI-JTQLQIEISA-N 477.418 6.858 50 10 JKGE Cc1oc(Br)cc1[C@@H](Cl)c1c(Br)sc(Br)c1Cl 1923041150 ZAVQPQAGYVGEHV-SSDOTTSWSA-N 483.834 6.919 50 10 JKGE Cn1cc(Br)c([C@H](Cl)c2c(Br)sc(Br)c2Cl)n1 1923055538 VFOBOHSPGRNCID-RXMQYKEDSA-N 483.838 5.751 50 10 JKGE C[C@@H](c1ccncc1Br)[C@H](Cl)c1ccc(I)c(Cl)c1 1924043524 MPDVVLFLOZKXCC-RTHLEPHNSA-N 470.963 6.186 50 10 JKGE Cl[C@H](c1cc(C2CC2)c(Br)s1)c1sccc1I 1945804432 VFRPKILWNJIPNW-SNVBAGLBSA-N 459.599 6.382 50 10 JKGE C[C@@H](CCBr)N(Cc1ccccc1)Cc1ccc(Cl)c(Br)c1F 1979518598 WQIKNMZAKMEGLL-ZDUSSCGKSA-N 463.616 6.417 50 10 JKGE Cc1cc(Br)c(CBr)c(N2C[C@H]3C[C@H]2CN3Cc2ccccc2)c1 2005452847 OAZLYDOSADICJS-SJORKVTESA-N 450.218 5.116 50 10 JKGE Clc1ccc(-n2cnc(Cl)c2CBr)c(Cl)c1I 2006591189 SKQPUXGBOIBIDM-UHFFFAOYSA-N 466.331 5.332 50 10 JKGE CCc1sc(Br)cc1[C@@H](Cl)c1cc(Br)cc(Br)c1 2030222952 SCWOBXAWDGBIOU-ZDUSSCGKSA-N 473.455 6.926 50 10 JKGE COc1sc([C@@H](Br)c2ccc(F)c(Br)c2)cc1Br 2034628171 CIOAETXHMJIMRP-NSHDSACASA-N 458.972 5.905 50 10 JKGE FC(F)(F)C1CC([C@H](Br)c2c(Br)sc(Br)c2Cl)C1 2037018438 AHPMRIOVQUYFAI-DGZDMUDUSA-N 491.392 6.951 50 10 JKGE Brc1cc([C@@H](Br)[C@@H]2CC3(CCCC3)CO2)sc1Br 2047505638 IGLULDXWFYJYBW-ONGXEEELSA-N 459.041 6.058 50 10 JKGE COC[C@@H]1CC[C@@H]([C@H](Br)c2c(Br)sc(Br)c2Cl)C1 2061291364 CZXYPALWPBJCKT-BHNWBGBOSA-N 481.475 6.425 50 10 JKGE FC(F)(C1CCOCC1)[C@H](Br)c1cc(Br)c(Br)s1 2065618563 ODEXQCSTVMUMCX-SECBINFHSA-N 468.983 5.771 50 10 JKGE C[C@H](Br)[C@H](NCc1c(Br)cccc1Br)C(F)(F)F 2074719459 HFPKQCGRGMAJQY-WKEGUHRASA-N 453.922 5.016 50 10 JKGE FCC12CC([C@@H](Br)c3c(Br)sc(Br)c3Cl)(CO1)C2 2082583522 CDBRGMHGSJFQRS-ARTQYDKTSA-N 483.422 5.881 50 10 JKGE Cc1sc(Br)c([C@H](Cl)Cc2ccccc2I)c1C 2082870960 MGFJHCPNBJCTCL-LLVKDONJSA-N 455.586 6.255 50 10 JKGE Brc1cc([C@H](Br)C2C3(CCC3)C23CCC3)sc1Br 2083560676 KGLPWJRJLDAAEF-JTQLQIEISA-N 455.053 6.680 50 10 JKGE C[C@H](Br)C12CCC(CC1)N2C(=O)c1csc(Br)c1Br 2097071295 WUJGJWLGUYFLQY-DWHFKYGWSA-N 472.040 5.194 50 10 JKGE FC1(F)[C@H]2C[C@@](CBr)(Cc3cc(Br)ccc3Br)C[C@H]21 2118526308 DHFPWKSRYSYSCC-PTEHBNRSSA-N 458.966 5.811 50 10 JKGE CC(C)(C)[C@H]1C[C@@H]1COc1c(Br)cc(CBr)cc1Br 2135642808 ZVWWZBRMEJKJLI-MNOVXSKESA-N 455.028 6.168 50 10 JKGE Cc1cc(F)c(F)cc1[C@H](Cl)c1cc(Br)ccc1I 2139630746 PGFWKWTUSUTUFB-AWEZNQCLSA-N 457.483 5.969 50 10 JKGE COc1cc(Br)c(C)cc1[C@H](Br)c1ccc(F)c(Br)c1 2145965422 WRSJDGMMKBHHBB-OAHLLOKOSA-N 466.970 6.152 50 10 JKGE Brc1ccc(Br)c([C@@H](Br)C2CC3(C2)CC2(CCC2)C3)c1 2157154648 NILYUHMOSGTFFK-HNNXBMFYSA-N 463.051 7.008 50 10 JKGE O=S(=O)(CCC(CCl)CCl)Nc1c(Br)cc(Cl)cc1Br 2160949825 SZJBMQAAEGFNTE-UHFFFAOYSA-N 488.456 5.091 50 10 JKGE CC(C)(C)OC(=O)NCC1CC([S@@](C)(=O)=NCCCCCCCCCBr)C1 2192623325 FLNWIODCTKIHFP-DIAWHCHDSA-N 467.514 5.513 50 10 JKGE COC[C@]1([C@@H](Br)c2c(C)c(Br)cc(C)c2Br)CCCO1 2201066147 XHJODPPZQLIERR-GJZGRUSLSA-N 471.027 5.460 50 10 JKGE Cc1cc([C@@H](Cl)c2c(C)c(Br)cc(C)c2Br)ccc1Br 2201079202 QZHUIDFRYRANEP-MRXNPFEDSA-N 481.453 7.228 50 10 JKGE Cc1cccc([C@@H](Cl)c2c(Br)cc(F)c(Cl)c2F)c1I 2201611847 UTVJEAIWVULLIO-LLVKDONJSA-N 491.928 6.622 50 10 JKGE Brc1ccccc1[C@@H](Br)Cc1ccc(Br)c2nsnc12 2202032476 ZWJSBZQYSRUBNI-LBPRGKRZSA-N 477.019 5.895 50 10 JKGE Cc1cccc(COc2c(Br)cc(Br)cc2CBr)c1C 2203033169 CQGHAPJCUYNQPQ-UHFFFAOYSA-N 463.007 6.302 50 10 JKGE Brc1cc([C@H](Br)c2ccc(-c3ccccc3)s2)sc1Br 2206126692 JKMPFDYFBWBAJV-CQSZACIVSA-N 493.083 7.486 50 10 JKGE Cc1cc(Br)c([C@H](Br)c2nscc2Br)c(C)c1Cl 2217608743 RAONCSAPNCYQPD-JTQLQIEISA-N 474.443 6.423 50 10 JKGE Clc1cc(Br)c([C@H](Br)CC[C@H]2CCOC2)c(Cl)c1Cl 2224310294 GRNSFHOQTUZCPR-JGVFFNPUSA-N 451.413 6.662 50 10 JKGE CC1(C)OCCC[C@H]1[C@@H](Br)c1cc(Br)c(Br)cc1F 2225618697 ZQOQXTCQBPQEEH-ZANVPECISA-N 458.991 5.992 50 10 JKGE C[C@@H]1CC([C@@H](Br)c2cc(Br)c(Br)cc2F)C[C@@H](C)O1 2225634211 NLIBKXFQGMTBIG-WFEFGEHDSA-N 458.991 5.990 50 10 JKGE Cc1cc(Cl)ccc1[C@@H](Br)c1c(Br)cc(Cl)c(Cl)c1Cl 2232511142 JLJGQEHLBPSXEH-GFCCVEGCSA-N 477.838 7.855 50 10 JKGE Cc1sc([C@H](Br)c2csc3c(Br)cccc23)c(C)c1Br 2234463958 KIFYJIYPNASHBM-CYBMUJFWSA-N 495.099 7.589 50 10 JKGE Cl[C@H](Cc1ccccc1I)c1ccc2c(c1Br)CCO2 2238074136 OHKUWYAMRPBZOJ-CYBMUJFWSA-N 463.540 5.511 50 10 JKGE Cc1cc(Br)sc1[C@@H](Br)c1cc(F)c(Br)cc1F 2255682137 BYFQYSQAMOPEOP-NSHDSACASA-N 460.963 6.344 50 10 JKGE Clc1c(Br)sc(Br)c1[C@H](Br)[C@@]12CCCC[C@@H]1CC2 2260511329 HINPQWRGOYCQQF-LIEFSGRHSA-N 477.487 7.333 50 10 JKGE Cl[C@@H](Cc1ccccc1I)c1cc2sc(Br)cc2s1 2278100122 NPOSQCPDGBVENW-VIFPVBQESA-N 483.621 6.853 50 10 JKGE CCc1nc([C@@H](Cl)c2cc3sc(Br)cc3s2)c(Br)s1 2278106114 JXGURJCRUBUIGX-JTQLQIEISA-N 457.665 6.835 50 10 JKGE COc1cc(C)c(Br)cc1[C@@H](Br)c1cccc(Cl)c1Br 2283186352 BTEQYLJVFKGBPL-AWEZNQCLSA-N 483.425 6.666 50 10 JKGE Clc1cccc([C@H](Cl)c2csc3c(Br)cccc23)c1Br 2283197121 DKMGRIIXGCZCKU-AWEZNQCLSA-N 451.010 7.408 50 10 JKGE Fc1cccc([C@@H](CI)OCc2cc(Br)ccc2Cl)c1 2295175706 RBDIISYMJXRMMY-OAHLLOKOSA-N 469.519 5.935 50 10 JKGE COc1c(Br)cc(Cl)c(C)c1[C@@H](Cl)c1cccc(OCc2ccccc2)c1 2295283138 KABHDKROPUJBSJ-NRFANRHFSA-N 466.202 7.327 50 10 JKGE COc1ccccc1C=CC=NNC(=O)CSc1nc2ccccc2n1Cc1ccc(C)cc1 2297459931 ZCXAGOGICNIKSO-UHFFFAOYSA-N 470.598 5.309 50 10 JKGE COCCC1([C@H](Br)c2cc(Br)ccc2OCc2ccccc2)CC1 2299504580 OKUUWRRFWYVBPV-LJQANCHMSA-N 454.202 6.281 50 10 JKGE Brc1ccc(OCc2ccccc2)c2c1[C@@H](Br)C[C@H](C1CC1)CC2 2299517608 MNSSTRHREMXRTN-APWZRJJASA-N 450.214 6.827 50 10 JKGE CCN(C[C@@](C)(CI)OC1C[C@H]2CC[C@H](C1)C2)C(=O)OC(C)(C)C 2299545977 VPRWWDKUKFSISG-YZVOILCLSA-N 451.389 5.032 50 10 JKGE Fc1c(Br)cc(Cl)c([C@H](Br)c2cccs2)c1Br 2300172019 LBFFFBJJTGZKDM-SECBINFHSA-N 463.391 6.550 50 10 JKGE CCOc1cc(C=C(C#N)C(=O)Nc2ccccc2Cl)ccc1OCc1cccc(Cl)c1 2313630851 GIEUMBMSFIMORN-UHFFFAOYSA-N 467.352 6.517 50 10 JKGE CCOc1cc(C=C(C#N)C(=O)Nc2ccc(Cl)cc2)ccc1OCc1ccccc1Cl 2313631556 RWSMQQJNACQUOC-UHFFFAOYSA-N 467.352 6.517 50 10 JKGE Fc1cc(Cl)c(Br)c(Cl)c1[C@H](Br)c1cscc1Br 2313827578 TYQBMZNLKDLKBY-SECBINFHSA-N 497.836 7.203 50 10 JKGE CCOc1ccc(-c2nn(-c3ccccc3)cc2C=C(C#N)c2nc(O)c3ccccc3n2)c(C)c1 2314433926 XMXZWPMYDDITMJ-UHFFFAOYSA-N 473.536 5.959 50 10 JKGE FC1(F)CCC[C@@H]1C[C@H](Br)c1cc(Br)ccc1OCc1ccccc1 2314453176 UEBAXKMKFZQEGF-QAPCUYQASA-N 474.183 7.290 50 10 JKGE COc1cc(C=C(C#N)c2nc(-c3cccc4ccccc34)cs2)ccc1OCc1ccccc1 2314499056 CTHLDKQUMXAFAG-UHFFFAOYSA-N 474.585 7.615 50 10 JKGE Brc1cc(OCc2ccccc2)ccc1[C@@H](Br)C12CCCC1CCC2 2314499951 IPMOTCXZBZTSER-PDRFFQIWSA-N 464.241 7.435 50 10 JKGE Cc1c(Cl)sc(Cl)c1[C@@H](Br)c1cc(Cl)ccc1I 2314514995 XYTJJBDMKDUBNL-JTQLQIEISA-N 496.422 7.106 50 10 JKGE C[C@@H]1CC2CC([C@H](Br)c3cc(Br)ccc3OCc3ccccc3)(C2)O1 2319568834 HGHMXGMKFKGGHI-CAXFPOJNSA-N 466.213 6.422 50 10 JKGE N#CC(=CNc1cc(C(F)(F)F)cc(C(F)(F)F)c1)C(=O)Nc1ccc(Cl)c(Cl)c1 2324266024 PJVZISYHVUUWRE-UHFFFAOYSA-N 468.184 6.489 50 10 JKGE Fc1cc([C@H](Cl)c2sc(Br)cc2Br)c(Cl)cc1Cl 2326685981 RDXWYXXHTQYRPZ-JTQLQIEISA-N 453.385 7.047 50 10 JKGE Cc1cc(Br)c([C@@H](Br)[C@@H]2OC[C@@H]3CCC[C@@H]32)cc1Br 2333513830 CZVOZFLEESIISK-NBLIUIFLSA-N 453.012 5.771 50 10 JKGE Fc1cc(Br)c(F)c(Br)c1[C@@H](Br)[C@H]1[C@H]2COCC[C@H]21 2334739600 JNTUURZZKFBXAC-JUQFDLSGSA-N 460.938 5.208 50 10 JKGE Fc1cc([C@H](Br)c2sc(Cl)cc2I)c(F)c(F)c1F 2338565907 GHDPMVOHHYAXNK-ZETCQYMHSA-N 485.465 6.047 50 10 JKGE Brc1ccc(OCc2ccccc2)c([C@@H](Br)c2cccc3ccccc23)c1 2361175807 CMROWHQOAGRZET-DEOSSOPVSA-N 482.215 7.666 50 10 JKGE Brc1cc(OCc2ccccc2)ccc1[C@@H](Br)c1ccc2c(c1)CCCC2 2361188913 HWDUYZRMRHKUTM-DEOSSOPVSA-N 486.247 7.391 50 10 JKGE CC[C@H](C[C@@H](Br)c1c(Cl)cc(Br)c(F)c1Br)C(C)(C)C 2362246493 AJWVSGUCFMCPBU-RKDXNWHRSA-N 493.480 7.903 50 10 JKGE COc1cc(Br)c(C)cc1[C@@H](Br)c1c(Br)nc(C)n1C 2362446633 NCAWXYUJCFHLOE-GFCCVEGCSA-N 466.999 5.055 50 10 JKGE FC(F)(F)c1ccc([C@@H](Cl)c2sc(Cl)cc2I)cc1Cl 2363892577 VNZDAHYTYAHTIX-SNVBAGLBSA-N 471.496 7.007 50 10 JKGE Cc1cc(Br)c(F)c(Br)c1[C@H](Br)[C@@]12CCCC[C@@H]1CC2 2365195583 CVXHQRDILYXKCD-HPEXNQPKSA-N 469.030 7.066 50 10 JKGE O=C(NC[C@H]1CCCC[C@@H](Br)C1)c1ccc(Cl)cc1I 2365600186 ZGDFTMWNDZWXNM-WDEREUQCSA-N 470.576 5.018 50 10 JKGE O=C(c1cc(Br)c(Cl)s1)N1CCC[C@H](Br)[C@H]1C(F)(F)F 2370255876 CHMJYQBXYUCIDO-XNCJUZBTSA-N 455.521 5.094 50 10 JKGE C[C@H]1[C@@H](C(F)(F)F)N(CC2(CBr)CC(C)(C)C2)CCN1C(=O)OC(C)(C)C 2371133141 LUGUUAUYBVJDIO-KBPBESRZSA-N 457.375 5.060 50 10 JKGE COc1ccc(NC(=O)/C(C#N)=C/c2ccc(OCc3cccc4ccccc34)c(OC)c2)cc1 3254468 QIKVMRZNJXDTGV-XQNSMLJCSA-N 464.521 5.982 50 10 JKGE CCOc1ccccc1[C@H]1C(C#N)=C2N=C(N)c3ccccc3N2C2=C1C(=O)C[C@H](c1ccccc1)C2 3654409 NPMRDHFNPGIAIE-NGOKVRLYSA-N 486.575 5.544 50 10 JKGE CCOC(=O)c1c(-n2c(C)cc(/C=C(\C#N)C(=O)Nc3ccccc3F)c2C)sc(C)c1C 9324332 AVLJEIHZXNSJDF-XDHOZWIPSA-N 465.550 5.634 50 10 JKGE CCCCCCOc1ccc(C(=O)NNC(=O)c2ccc(OCC(C)C)c(Br)c2)cc1 14653120 WGJPDKWUKVZLLJ-UHFFFAOYSA-N 491.426 5.518 50 10 JKGE C/C(=N\NC(=O)[C@H]1C[C@@H]1c1ccc(C(C)(C)C)cc1)c1cccc(NC(=O)c2ccccc2F)c1 20157917 FWPPNHQXHLKRAG-UUIHPTJWSA-N 471.576 6.019 50 10 JKGE O=C(CSc1nc2ccccc2[nH]1)N/N=C/c1ccc(OCc2cccc(Cl)c2)cc1 32520607 UZIUAYIORPDQQV-DHRITJCHSA-N 450.951 5.038 50 10 JKGE COc1ccc(/C(C#N)=C/c2ccccc2/C=C(/C#N)c2ccc(OC)cc2OC)c(OC)c1 33779365 NUGFOBSWFQEGJE-VOKWCDJLSA-N 452.510 5.849 50 10 JKGE CCOc1cc(/C=C(/C#N)c2nc3ccccc3s2)cc(Cl)c1OCc1cccc2ccccc12 33790011 PUTLQTDWEAQKKF-HMAPJEAMSA-N 497.019 8.145 50 10 JKGE N#C/C(=C/c1ccc(-c2ccc(Cl)cc2)o1)C(=O)Nc1ccc([N+](=O)[O-])cc1C(F)(F)F 33930459 SJBCUDVQRHEMOY-LCYFTJDESA-N 461.783 6.073 50 10 JKGE CCOc1ccc(-c2nn(-c3ccccc3)cc2/C=C(/C#N)c2nc3ccccc3s2)c(C)c1 34367686 BMOQGZPPJGBIHQ-SILNSSARSA-N 462.578 6.920 50 10 JKGE N#C/C(=C/c1ccccc1OCc1ccc(Br)cc1)C(=O)Nc1ccc([N+](=O)[O-])cc1O 34705621 MLZPZEFWWQTXJU-BOPFTXTBSA-N 494.301 5.188 50 10 JKGE CC(C)Oc1ccc(-c2nn(-c3ccccc3)cc2/C=C(/C#N)C(=O)NCc2ccco2)cc1 34736776 NOCFFNWLBSGIRL-QNGOZBTKSA-N 452.514 5.143 50 10 JKGE COc1cc(/C=C(\C#N)C(=O)Nc2ccc3ccccc3c2)ccc1OCC(=O)Nc1ccccc1 35519963 GDZQIQMNTITJIX-HZHRSRAPSA-N 477.520 5.412 50 10 JKGE CCOc1cc(/C=C2/C(=O)N(CC(C)C)C(=O)C(C#N)=C2C)ccc1OCc1ccc(F)cc1 38605771 HHYOLYHOKXOEPB-WSDLNYQXSA-N 462.521 5.052 50 10 JKGE CC(C)COc1ccc(C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@@H]3c2ccc(C(C)(C)C)cc2)cc1 38649809 MNGWBZSHOOYDGG-MUUNZHRXSA-N 496.607 6.456 50 10 JKGE Cc1ccc(OCC(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@@H]3c2ccccc2Cl)cc1C 38651065 VYGQVQDMYVZPOD-RUZDIDTESA-N 460.917 5.159 50 10 JKGE CCCCOc1ccccc1C(=O)Oc1ccc2c(c1)OC(N)=C(C#N)[C@@H]2c1cccc(Cl)c1 38651259 OQFGADNENDTICW-RUZDIDTESA-N 474.944 5.956 50 10 JKGE Cc1c(C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@@H]3c2ccccc2Cl)oc2ccccc12 38687607 DMEPKNGBNXVYKA-HSZRJFAPSA-N 456.885 5.832 50 10 JKGE CCc1ccc2oc(C(=O)Oc3ccc4c(c3)OC(N)=C(C#N)[C@@H]4c3ccc(Cl)cc3)c(C)c2c1 38687786 LNGBIUKWODRJCA-RUZDIDTESA-N 484.939 6.394 50 10 JKGE Cc1ccccc1C(=O)N/N=C1\CCCc2oc(C(=O)Nc3ccc(Br)cc3)c(C)c21 40811540 CJZDFVLYFVLPGI-ZXVVBBHZSA-N 480.362 5.382 50 10 JKGE Cc1c(C(=O)Oc2ccc3ccccc3c2)oc2c1/C(=N/NC(=O)c1ccc([N+](=O)[O-])cc1)CCC2 40812177 NZCXVRKNJCJRPE-XAYXJRQQSA-N 483.480 5.339 50 10 JKGE Cc1c(C(=O)N2CCCc3ccccc32)oc2c1/C(=N/NC(=O)c1cccc(Cl)c1)CCC2 40813340 IJWQAKQBGKCVND-VFCFBJKWSA-N 461.949 5.305 50 10 JKGE COc1cc(/C=N/NC(=O)c2cc3ccccc3o2)c(Br)cc1OCc1ccc(C)cc1 59304568 GXCSYDQLWSXKHR-MZJWZYIUSA-N 493.357 5.855 50 10 JKGE O=C(NN=C(/C=C/c1ccccc1)/C=C/c1ccccc1)c1cccc(I)c1 59518298 RMFRCWOFIFROFC-YXLFCKQPSA-N 478.333 5.804 50 10 JKGE COC(=O)c1cc(C(C)C)sc1NC(=O)/C(C#N)=C\c1cccc(OC(=O)c2ccc(C)cc2)c1 96438538 LNTOXBDDSCYROK-NDENLUEZSA-N 488.565 5.731 50 10 JKGE CCOc1ccc(-n2c(C)cc(/C=C(/C#N)C(=O)O[C@@H](C(=O)N(CC)CC)c3ccccc3)c2C)cc1 96888134 QUWDYNZZKSGUJC-YMWOEAMWSA-N 499.611 5.553 50 10 JKGE Fc1cc(Br)c(Cl)cc1[C@@H](Cl)c1csc(I)c1 97895081 FEOOWYAFOHZYNK-NSHDSACASA-N 465.940 6.236 50 10 JKGE Cc1c(Br)cccc1[C@H](Br)c1cc(Cl)c(Br)cc1F 97895766 IAKKGSHUXCOXFV-AWEZNQCLSA-N 471.389 6.797 50 10 JKGE CSc1ccc([C@@H](Br)c2cc(Br)sc2Br)cc1 98021684 CVNPSUQGZJWSHV-LLVKDONJSA-N 457.050 6.479 50 10 JKGE CC[C@H](C)N1C(=O)C(C#N)=C(C)/C(=C\c2cn(-c3ccccc3)nc2C23CC4CC(CC(C4)C2)C3)C1=O 101334291 NAUPXDAXYUPAOH-HOAVAHNNSA-N 494.639 5.731 50 10 JKGE Cc1ccc([C@H](Br)c2cc(Br)ccc2Br)cc1Cl 109844464 PZTMSPFYVLHCFG-AWEZNQCLSA-N 453.399 6.658 50 10 JKGE Brc1cc([C@@H](Br)[C@H]2COc3ccccc32)sc1Br 128204307 KCDLDUWNFFKMSI-UFBFGSQYSA-N 452.993 5.885 50 10 JKGE CCCCN1C(=O)C(C#N)=C(C)/C(=C/c2cn(-c3ccccc3)nc2-c2ccc3ccccc3c2)C1=O 214224091 VFTDNAJRQVYLBW-IMRQLAEWSA-N 486.575 6.085 50 10 JKGE CC1=C(C#N)C(=O)N(C(C)C)C(=O)/C1=C\c1cn(-c2ccccc2)nc1-c1cc(C)c2c(c1)C[C@H](C)O2 214251448 ANFWCEYJEVPWOE-ILRHRSLTSA-N 492.579 5.172 50 10 JKGE Cc1cc(I)ccc1NC(=O)/C(C#N)=C\Nc1cc(Cl)cc(Cl)c1 217254179 XCTSSQDPZGHQHH-LUAWRHEFSA-N 472.113 5.365 50 10 JKGE Fc1ccc([C@H](Br)c2cc(Br)c(Cl)s2)c(Br)c1 227847729 HJBZVXDSSRYCEX-JTQLQIEISA-N 463.391 6.550 50 10 JKGE O=C(N[C@H]1CCCCC[C@@H]1Br)c1cc(Br)cc(Br)c1 232455872 QYMNHAGWGYRRHB-STQMWFEESA-N 454.000 5.038 50 10 JKGE Brc1ccc([C@@H](Br)c2cccc3ccccc23)c(Br)c1 232483206 ANLTVRPXKDNSGY-KRWDZBQOSA-N 454.987 6.849 50 10 JKGE CC(C)Cc1ccc([C@@H](Cl)c2cc(I)ccc2Br)cc1 232659819 OBDNOLHPCBMREX-QGZVFWFLSA-N 463.584 6.580 50 10 JKGE CCC(=NNC(=O)c1cc(-c2ccccc2)nc2c(Cl)cccc12)c1ccc(CC(C)C)cc1 254798392 MBTAXCGLOZAOLI-UHFFFAOYSA-N 470.016 7.298 50 10 JKGE CCCC[C@H](CC)COC1(CI)CCN(C(=O)OC(C)(C)C)CC1 303741873 RPQBEJJGDWBIDU-INIZCTEOSA-N 453.405 5.424 50 10 JKGE C[C@@H]1[C@@H](n2c(CCCl)nc3cc(I)c(F)cc32)CCN1Cc1ccccc1 312304778 OJHVOLWPCAEFFS-KUHUBIRLSA-N 497.783 5.397 50 10 JKGE Br[C@@H](c1ccc(-c2ccccc2)cc1)c1sccc1I 312448509 USRGYAUSSUNXKY-INIZCTEOSA-N 455.158 6.504 50 10 JKGE BrCc1c(Br)cccc1N1CCC2(CCN(Cc3ccccc3)CC2)C1 394720344 WGOUGMLZEBFDNT-UHFFFAOYSA-N 478.272 5.837 50 10 JKGE BrCC(CBr)(CCC[C@@H]1CCOC1)c1cccc(Br)c1 400631026 IBYFFEGPJJTXBI-CYBMUJFWSA-N 469.055 5.684 50 10 JKGE Brc1cc([C@H](Br)c2cscc2Br)c(Br)s1 404788187 GGEGDWKUEYXXSP-QMMMGPOBSA-N 495.881 6.581 50 10 JKGE Fc1cc(CBr)cc(F)c1OCc1cc(Cl)ccc1I 405285732 DUCXIDRJLVZGJC-UHFFFAOYSA-N 473.482 5.697 50 10 JKGE CC(C)(C)OC(=O)N1c2ccccc2CC[C@@H]1c1ccc(CCO[Si](C)(C)C(C)(C)C)cc1 616667975 BCZGFOFLCOPPII-RUZDIDTESA-N 467.726 7.680 50 10 JKGE COCc1cc(Br)c([C@@H](Br)C(C(F)(F)F)C(F)(F)F)s1 688058845 FNIQCUAUQOEJLD-ZCFIWIBFSA-N 450.036 5.834 50 10 JKGE Fc1ccc([C@H](Br)c2cccc(Br)c2Cl)c(F)c1Br 691632937 CAFIWPHZKYGSKK-SNVBAGLBSA-N 475.352 6.628 50 10 JKGE COc1cc2c(cc1C)nc(CCl)n2CC1(N(Cc2ccccc2)Cc2ccccc2)COC1 705611480 UDPLJTWXFXDOHF-UHFFFAOYSA-N 476.020 5.564 50 10 JKGE Cc1cc(C=NNC(=O)C(=O)Nc2ccc(Cl)c(Cl)c2)c(C)n1-c1ccc(Cl)cc1Cl 1084039009 WRCJOWBJDBTULX-UHFFFAOYSA-N 498.197 5.797 50 10 JKGE O=C(NN=Cc1cccc(OCc2ccc(Cl)cc2)c1)c1cc(Br)ccc1O 1084165649 HSLHAWZCEOMYSJ-UHFFFAOYSA-N 459.727 5.151 50 10 JKGE O=C(NN=Cc1ccc(-c2cccc(Br)c2)o1)c1cc2cc(Br)ccc2o1 1084212900 WKCCDLIZVLIZKC-UHFFFAOYSA-N 488.135 5.982 50 10 JKGE COC(=O)c1cccc(Cn2cc(/C=C(\C#N)C(=O)Nc3cccc(C)c3C)c3ccccc32)c1 1084375909 QNUVTZMSEBYJKN-HZHRSRAPSA-N 463.537 5.639 50 10 JKGE N#C/C(=C\c1cn(Cc2ccc(F)cc2)c2ccccc12)C(=O)N1CCN(c2ccccc2)CC1 1084482685 WPSKWLQZAWKIPZ-PTGBLXJZSA-N 464.544 5.084 50 10 JKGE N#C/C(=C/c1cc(Br)ccc1OCc1ccccc1)C(=O)Nc1ccccc1Cl 1084562075 ZOLDUFIQYVUAMU-PDGQHHTCSA-N 467.750 6.227 50 10 JKGE N#CC1=NN(c2ccc(Cl)cc2)[C@H](c2ccccc2)C2=C1OC(N)=C(C#N)[C@@H]2c1ccc(Cl)cc1 1088681103 MQLXYWGLAQYKTG-UKILVPOCSA-N 498.373 6.196 50 10 JKGE FC(F)(F)c1cc(-c2cc(CCl)n(-c3ccc(Cl)c(Cl)c3)n2)cc(C(F)(F)F)c1 1614818473 KVVFBTDLIWKJCX-UHFFFAOYSA-N 473.631 7.623 50 10 JKGE COc1cc(C=NNC(=O)CSc2nc3ccccc3s2)ccc1OCc1cccc(C)c1 1772760480 QOGDGRVSPTZGKY-UHFFFAOYSA-N 477.611 5.435 50 10 JKGE Cc1ccc(OCC(=O)Nc2cccc3c(OC(=O)Nc4ccc(SC#N)cc4)cccc23)cc1 1858772839 CNSGIXNCWWXOLC-UHFFFAOYSA-N 483.549 6.350 50 10 JKGE CCCOc1ccc(/C=C/C(=O)NCc2ccc(OC(=O)Nc3ccc(SC#N)cc3)cc2)cc1 1858908529 PXTHWVFFEUSJTL-FRKPEAEDSA-N 487.581 5.989 50 10 JKGE CC(C)(C)c1ccc([C@@H]2C(C#N)=C(N)Oc3c2c(C(F)(F)F)nn3Cc2ccc(Cl)cc2)cc1 1865682209 IXLUIVXDBHZJOQ-LJQANCHMSA-N 486.925 6.119 50 10 JKGE COc1ccc(-c2nn(Cc3ccccc3)c3c2[C@H](c2cccc4ccccc24)C(C#N)=C(N)O3)cc1 1865682454 OQCHCXXJAHYAKG-HHHXNRCGSA-N 484.559 5.978 50 10 JKGE CCCc1nn(Cc2cc(C)ccc2C)c2c1[C@H](c1c(Cl)cccc1Cl)C(C#N)=C(N)O2 1865686614 XRKUFJIUMBLTBB-NRFANRHFSA-N 467.400 6.026 50 10 JKGE CCCCCOc1ccc([C@H]2C(C#N)=C(N)Oc3c2c(-c2ccccc2)nn3-c2ccccc2)cc1 1865690633 XPPMXXYRBZBTKP-SANMLTNESA-N 476.580 6.326 50 10 JKGE CCc1nn(-c2ccccc2Cl)c2c1[C@H](c1ccc(OCc3ccc(C)cc3)cc1)C(C#N)=C(N)O2 1865694192 VKLGZHYPBTZXQD-AREMUKBSSA-N 496.998 6.194 50 10 JKGE CCCOc1ccc([C@H]2C(C#N)=C(N)Oc3c2c(-c2ccccc2)nn3Cc2cccc(Cl)c2)cc1 1865694272 SBPJZTAYUPZDGC-VWLOTQADSA-N 496.998 6.259 50 10 JKGE COc1ccc(-c2nn(Cc3ccccc3F)c3c2[C@@H](c2sccc2C)C(C#N)=C(N)O3)cc1 1865698998 ICWZCZBYTWHAKJ-NRFANRHFSA-N 472.545 5.334 50 10 JKGE CC(C)(C)c1ccc(-c2nc(Nc3ccc(SC#N)cc3)cc(N3CC[C@H](c4ccco4)C3)n2)cc1 1868545137 SFGNJGXHVJQNKC-NRFANRHFSA-N 495.652 7.345 50 10 JKGE CC[C@H]1CCCN1c1cc(Nc2ccc(SC#N)cc2)nc(-c2ccc(C(C)(C)C)cc2)n1 1868545559 ZUFNQAIUZFOOIU-QFIPXVFZSA-N 457.647 7.137 50 10 JKGE COc1cc(/C=C(\C#N)c2nc3ccccc3n2C)cc(Br)c1OCc1ccccc1 1872726788 KSQFGUDCNCEDOE-XDHOZWIPSA-N 474.358 5.988 50 10 JKGE C[C@@H](/C(O)=C(\C#N)c1nc(-c2ccc(-c3ccccc3)cc2)cs1)N1C(=O)c2ccccc2C1=O 1872743589 CHUCMSMVZJYUCV-KZIRDTCISA-N 477.545 5.954 50 10 JKGE N#C/C(=C(/O)c1ccc(N2CCCC2)c([N+](=O)[O-])c1)c1nc(-c2ccccc2Cl)cs1 1872745759 BMVZDTOQOWBPMV-PGMHBOJBSA-N 452.923 5.922 50 10 JKGE C[C@H](Oc1ccc(Cl)cc1Cl)/C(O)=C(\C#N)c1nc(-c2cccc(Cl)c2)cs1 1872748322 SIUYKABEMATRSY-HSHIVQNRSA-N 451.762 7.030 50 10 JKGE COc1c(C)cc(Cl)cc1-c1csc(/C(C#N)=C(\O)[C@@H](C)Oc2ccc(C(C)C)cc2)n1 1872757128 RMMXVCBVEFNKPG-DLTPIXJPSA-N 469.006 7.164 50 10 JKGE COc1ccc(-c2csc(/C(C#N)=C/c3ccc(OCc4ccccc4Cl)cc3)n2)cc1OC 1872781770 PNIFXADHTXDCFG-FYJGNVAPSA-N 488.996 7.124 50 10 JKGE CCOc1ccc(-c2csc(/C(C#N)=C/c3ccccc3OCc3ccc(Cl)cc3)n2)cc1 1872790328 ARVYIPJHPIICNG-PXLXIMEGSA-N 472.997 7.505 50 10 JKGE CC(C)(C)c1ccc(-c2csc(/C(C#N)=C/c3ccc(OC(=O)c4ccccc4)cc3)n2)cc1 1872792228 MHOQPDJZKQWDDQ-HAVVHWLPSA-N 464.590 7.391 50 10 JKGE CCCCOc1ccc(/C=C(\C#N)c2nc(-c3cc(Cl)c(OC)cc3OC)cs2)cc1 1872793592 IWILCWKMYXFWRS-GZTJUZNOSA-N 454.979 6.724 50 10 JKGE CCCN[C@H](c1cc(Br)c(C)cc1Br)C1CC(Br)C1 1887742417 MRMRGBQGBBKZCS-NWHVRFAMSA-N 454.044 5.734 50 10 JKGE Clc1c(Br)sc(Br)c1[C@H](Cl)c1cc2ccccc2s1 1923066865 WBSWIONEHGVFEC-SNVBAGLBSA-N 457.039 7.469 50 10 JKGE F[C@@H]1CC[C@H]([C@H](Br)c2c(Br)sc(Br)c2Cl)C1 1923070555 CFRZAZMSDIZLNN-BFHQHQDPSA-N 455.412 6.501 50 10 JKGE CC1([C@H](Br)c2c(Br)sc(Br)c2Cl)CCCCC1 1923072513 PGATUYRUSHNYOB-SECBINFHSA-N 465.476 7.333 50 10 JKGE Cc1c(Br)sc([C@H](Br)[C@H](C)C2CCCCC2)c1Br 1923905740 AZEZNTAAZALXBV-LDYMZIIASA-N 459.085 7.234 50 10 JKGE Brc1cnccc1C[C@@H](Br)c1sccc1I 1924038064 BEXSGLKMFBRZFM-MRVPVSSYSA-N 472.971 5.189 50 10 JKGE Clc1sc(Br)c(Cl)c1[C@H](Br)c1cc2c(s1)CCSC2 1925587802 BOOXEXXWQCLQCD-SECBINFHSA-N 479.111 7.153 50 10 JKGE Fc1ccc([C@@H](Cl)c2c(Cl)sc(Br)c2Cl)cc1Br 1925588681 PPCFHMRIZDPMGX-MRVPVSSYSA-N 453.385 7.047 50 10 JKGE Cc1c([C@@H](Br)c2cc(Cl)c(Br)s2)nn(C)c1Br 2002830658 QWVDOVIHTIGYBG-ZETCQYMHSA-N 463.420 5.453 50 10 JKGE CCc1sc(Br)cc1[C@@H](Br)c1cc(C)cc(Br)c1 2030222586 QWGJBNVFDJABOU-AWEZNQCLSA-N 453.037 6.628 50 10 JKGE Fc1cc(Cl)c(Br)cc1[C@@H](Cl)c1ccc(I)cc1 2036570832 FJTCDTOBKPQIPZ-ZDUSSCGKSA-N 459.911 6.174 50 10 JKGE Cc1cc([C@H](Br)c2ccc(C)c(Br)c2C)c(Br)s1 2039500778 NLIWWIXFWXRXLN-CYBMUJFWSA-N 453.037 6.683 50 10 JKGE FC(F)(F)c1sccc1[C@H](Br)c1cc(Br)sc1Br 2039894749 PTOHSMSJCRDHPN-ZETCQYMHSA-N 484.982 6.838 50 10 JKGE Cn1nc([C@@H](Br)c2ccc(F)c(Br)c2)c(Br)c1Cl 2048152477 VWAHYGAISNAQSD-QMMMGPOBSA-N 461.354 5.222 50 10 JKGE FC(F)(F)c1ccccc1Cn1nc(CBr)c(Br)c1C(F)(F)F 2079229818 KOXJWFCWPCXLRU-UHFFFAOYSA-N 466.017 5.626 50 10 JKGE COc1cc(F)c([C@H](Br)c2cscc2OCc2ccccc2)cc1Br 2082783625 UHIROGVZKAJHLJ-IBGZPJMESA-N 486.200 6.722 50 10 JKGE Cc1c(Br)sc([C@@H](Br)c2ccccc2C2CC2)c1Br 2104107087 BTCZOASDTHNBFZ-ZDUSSCGKSA-N 465.048 6.943 50 10 JKGE CC1(C)C[C@H](Br)CCN(Cc2cc(Br)ccc2Br)C1 2118518868 DFCXEJKSBCOIGE-CYBMUJFWSA-N 454.044 5.597 50 10 JKGE BrC[C@]12CCC[C@@H]1CN(Cc1cc(Br)ccc1Br)C2 2118527345 DPEDJKBJBNZQSF-DOMZBBRYSA-N 452.028 5.209 50 10 JKGE CC1(C)CC[C@@H](Cc2cc(Br)ccc2Br)[C@H](Br)CC1 2122944653 MQICNZWRUBMWGH-XHDPSFHLSA-N 453.056 6.734 50 10 JKGE Cc1c(Br)ccc([C@H](Br)[C@@H]2COCCC2(F)F)c1Br 2138872085 QKOHOQQVRDQAKX-CABZTGNLSA-N 462.954 5.628 50 10 JKGE Cc1c(Br)ccc([C@H](Br)CC2CCCCCC2)c1Br 2138876295 OCVUUKCGHUNHJQ-OAHLLOKOSA-N 453.056 7.317 50 10 JKGE Fc1cccc([C@@H](Br)c2cc(Br)c3c(c2)CCO3)c1Br 2146630811 ZXHMFOBDNVHHDE-ZDUSSCGKSA-N 464.954 5.770 50 10 JKGE BrCc1ccc(N2CCC[C@]3(CN(Cc4ccccc4)CCO3)C2)cc1Br 2151741659 XFJHBONYRJTWSH-QFIPXVFZSA-N 494.271 5.215 50 10 JKGE C[C@@](CI)(OC1CC(C(F)(F)F)C1)c1ccccc1Br 2153178285 LMZNLALPUUCCTH-ZPPKWKGLSA-N 463.075 5.457 50 10 JKGE Clc1cc(Cl)cc(CO[C@@H](CI)c2ccc(Br)cc2)c1 2197895875 HRPGCKRUSDVEPR-HNNXBMFYSA-N 485.974 6.449 50 10 JKGE Cc1cc(Br)c(C)c([C@@H](Cl)Cc2ccc(Br)cc2)c1Br 2201075024 BPBMOGDRYLBANA-AWEZNQCLSA-N 481.453 7.114 50 10 JKGE Cc1c(Br)ccc([C@@H](Br)c2cc(F)c(F)c(F)c2)c1Br 2203686599 PDOBSICEXLMXSI-ZDUSSCGKSA-N 472.924 6.422 50 10 JKGE FC1(F)CCC2(CC1)C[C@H]2[C@@H](Br)c1ccc(Br)cc1Br 2203687029 VVMHJSNHSLOVJA-AAEUAGOBSA-N 472.993 6.863 50 10 JKGE C[C@@H](CCOCc1ccccc1)n1c(CCl)nc2cc(Br)c(Br)cc21 2218661147 DZDWKNXKIQFAPB-ZDUSSCGKSA-N 486.635 6.468 50 10 JKGE Cc1cc(Br)c([C@@H](Br)C(C)(C)C2CCC2)c(C)c1Br 2227352079 BINQLCHOGWIZNE-OAHLLOKOSA-N 453.056 7.091 50 10 JKGE CCc1cc(Br)c([C@@H](Br)Cc2ccc(Br)cc2Cl)s1 2229146644 ANNAFRNHRPIHTH-NSHDSACASA-N 487.482 7.168 50 10 JKGE Clc1cc(Br)c([C@@H](Br)CC[C@@H]2CCCCO2)c(Cl)c1Cl 2232509970 FVNRFZBJTPXUIF-IUCAKERBSA-N 465.440 7.195 50 10 JKGE Cc1cc(Br)c([C@H](Br)c2cc3sccc3s2)c(C)c1Cl 2232526964 BEFXNAKITYSTRN-CQSZACIVSA-N 450.648 7.480 50 10 JKGE Cc1cc(Br)c([C@H](Cl)c2cc(Cl)cc(Cl)c2)c(C)c1Br 2235603066 GWUMNNPUVBXQMJ-OAHLLOKOSA-N 457.420 7.463 50 10 JKGE Clc1ccc([C@@H](Br)c2ccc3c(c2Br)CCO3)cc1Br 2238083118 VPIPIAHZOHEWDM-CQSZACIVSA-N 481.409 6.284 50 10 JKGE CCc1nc([C@@H](Br)c2sc(C)c(C)c2Br)c(Br)s1 2253495987 KQYMNJMQKRWJFI-SECBINFHSA-N 474.081 6.393 50 10 JKGE CCc1cc(Br)c([C@@H](Br)c2cccc(Cl)c2Br)s1 2256136769 MHONEQZIJIBQRH-LBPRGKRZSA-N 473.455 6.973 50 10 JKGE C[C@H](Br)CN(C(=O)c1cc(Br)sc1Br)C1CCC1 2259750912 YQXJSLXVUDHAAK-ZETCQYMHSA-N 460.029 5.051 50 10 JKGE Cc1cc(Br)c([C@H](Cl)c2ccccc2I)c(C)c1F 2264469370 SWVKYMZNCSSTGZ-CQSZACIVSA-N 453.520 6.138 50 10 JKGE Cc1cc(Br)c([C@H](Br)c2scc(Br)c2Cl)c(C)c1F 2264612282 PSPMQHCTEAVKFZ-JTQLQIEISA-N 491.445 7.167 50 10 JKGE Clc1ccc(Br)cc1COc1ccc(CBr)c(Br)c1 2277805403 YPDQNSYTLBXVDD-UHFFFAOYSA-N 469.398 6.339 50 10 JKGE Cc1ccc([C@H](Br)c2cc(F)c(Br)cc2F)c(C)c1Br 2282136830 WXAUTNLOGFBZCB-HNNXBMFYSA-N 468.961 6.591 50 10 JKGE COc1ccc([C@@H](Br)c2c(F)cccc2I)c(Cl)c1Cl 2282786204 BYKLTEXYKIESJH-GFCCVEGCSA-N 489.937 6.230 50 10 JKGE Fc1cc(Cl)c([C@@H](Cl)c2cc(Cl)c(Br)cc2F)cc1Br 2285942141 SXNHQBBRCGQWBJ-CYBMUJFWSA-N 465.346 7.125 50 10 JKGE Fc1cc(Br)c(F)c(Br)c1[C@H](Br)[C@]12CCC[C@@H]1OCC2 2288358144 MUCOTXPUEFTUQF-HERUPUMHSA-N 474.965 5.885 50 10 JKGE COc1cc(C=C(C#N)C(=O)Nc2ccc(C)cc2)cc(Br)c1OCc1cccc(C)c1 2294175252 LRBCRSYKCMXXQI-UHFFFAOYSA-N 491.385 6.199 50 10 JKGE Fc1cc(Br)c(Cl)cc1[C@@H](Br)c1ccc(C(F)(F)F)s1 2295257160 UOQYUXDCTXBIHX-LLVKDONJSA-N 452.492 6.806 50 10 JKGE FC1(F)[C@H]([C@H](Br)Cc2cc(Br)cc(Br)c2)C12CCCC2 2295341588 HIYMFNGKZBHOOG-CHWSQXEVSA-N 472.993 6.343 50 10 JKGE N#CC(=Cc1ccc(O)c([N+](=O)[O-])c1)c1nc(-c2cc3cc(Br)ccc3oc2=O)cs1 2296801611 WDYTUXUKGPBBAO-UHFFFAOYSA-N 496.298 5.357 50 10 JKGE N#CC(=CNc1ccc(Cl)cc1C(F)(F)F)c1nc(-c2cccc(Br)c2)cs1 2296802169 TVLLADWXGMVKHU-UHFFFAOYSA-N 484.728 7.221 50 10 JKGE O=C(NC(=Cc1ccccc1)[P+](c1ccccc1)(c1ccccc1)c1ccccc1)c1ccccc1 2297515834 KEOZUIMUGKNRIQ-UHFFFAOYSA-O 484.559 6.409 50 10 JKGE CCC(CC)(CC)[C@@H](Br)c1cc(Br)ccc1OCc1ccccc1 2299488847 KHIXPHCGNGIOFT-FQEVSTJZSA-N 454.246 7.681 50 10 JKGE CCc1cc(Br)ccc1-c1ccc(C=C(C#N)C(=O)Nc2ccc(Cl)c(OC)c2)o1 2313553150 MIVQMBNJFOWDIQ-UHFFFAOYSA-N 485.765 6.479 50 10 JKGE COc1ccc(Cl)cc1-n1c(C)cc(C=C(C#N)C(=O)NCCc2c[nH]c3ccccc23)c1C 2313556588 DZTXOSCUIPCWNZ-UHFFFAOYSA-N 472.976 5.503 50 10 JKGE CCOc1c(Br)cc(C=C(C#N)C(=O)Nc2sc3c(c2C#N)CCCC3)cc1OC 2313630472 LSULHXGSVCJQEF-UHFFFAOYSA-N 486.391 5.214 50 10 JKGE Cc1c(Cl)cccc1NC(=O)C(C#N)=Cc1cc(Cl)ccc1OCc1ccccc1F 2313671166 MNIAATRRGCLLGC-UHFFFAOYSA-N 455.316 6.566 50 10 JKGE Cc1cc(Cl)cc([C@H](Br)c2cc(Br)ccc2OCc2ccccc2)c1 2314450201 XHJDAICBPHUJCA-NRFANRHFSA-N 480.627 7.474 50 10 JKGE FC1(F)CCC[C@H]1C[C@H](Br)c1cc(Br)ccc1OCc1ccccc1 2314453177 UEBAXKMKFZQEGF-YJBOKZPZSA-N 474.183 7.290 50 10 JKGE CC(C)([C@H]1CCCO1)[C@@H](Br)c1cc(Br)ccc1OCc1ccccc1 2314455457 OZMDJZTZXOMSKA-UXHICEINSA-N 468.229 6.669 50 10 JKGE COC1CC(CC[C@@H](Br)c2cc(Br)ccc2OCc2ccccc2)C1 2314458506 FNWGZMQHNMZRLR-OUNSHVDWSA-N 468.229 6.669 50 10 JKGE Cc1c(Cl)sc(Cl)c1[C@@H](Br)c1cc(I)ccc1F 2314524745 CXVMDMORNZOFRS-JTQLQIEISA-N 479.967 6.591 50 10 JKGE N#CC(=Cc1ccc(-c2cccc(Cl)c2Cl)o1)c1nc(-c2ccc([N+](=O)[O-])cc2)cs1 2314571467 FPVBJSUKIUUKHJ-UHFFFAOYSA-N 468.321 7.349 50 10 JKGE COc1ccccc1NC(=O)C(C#N)=C1S[C@@H](Cc2ccccc2)C(=O)N1c1ccc(C(C)C)cc1 2314592320 QSBKQKVGWJVPDI-SANMLTNESA-N 497.620 5.884 50 10 JKGE Fc1c(Br)cc(Cl)c([C@H](Cl)c2coc(Br)c2)c1Br 2315441615 JHYJTWZJBAEKOD-SNVBAGLBSA-N 481.768 6.688 50 10 JKGE COc1cc(C=C(C#N)c2cccc(Cl)c2)ccc1OC(=O)c1cc2ccccc2oc1=O 2320506721 QCSODGVQUSMBHY-UHFFFAOYSA-N 457.869 5.738 50 10 JKGE Clc1cc(Br)c(C[C@@H](CBr)c2ccc(Br)cc2)s1 2322530388 AVYGNEWPFZMXMZ-VIFPVBQESA-N 473.455 6.648 50 10 JKGE COc1cc(C=C(C#N)c2nc(-c3ccc(Cl)cc3)cs2)cc([N+](=O)[O-])c1OC(C)C 2323831932 UOAHEOQYIAPXDI-UHFFFAOYSA-N 455.923 6.232 50 10 JKGE Cc1cc(I)ccc1NC(=O)C(C#N)=CNc1ccc(Oc2ccccc2)cc1 2325406097 XCBAWGATKROGRT-UHFFFAOYSA-N 495.320 5.850 50 10 JKGE COc1ccc(-c2csc(C(C#N)=C(O)c3cc(C(F)(F)F)cc(C(F)(F)F)c3)n2)cc1 2331276331 JNKDTPSBFRRYMB-UHFFFAOYSA-N 470.394 6.806 50 10 JKGE N#CC(=C(O)CCCN1C(=O)c2ccc([N+](=O)[O-])cc2C1=O)c1nc(-c2cccc(Cl)c2)cs1 2331295701 UBIBEMYMAAHDSI-UHFFFAOYSA-N 494.916 5.241 50 10 JKGE CCOc1ccc(-c2csc(C(C#N)=C(O)Cc3ccc(OCc4ccccc4)cc3)n2)cc1 2331305177 ZCDVMHRCJUDALB-UHFFFAOYSA-N 468.578 6.823 50 10 JKGE CCc1cccc(CC)c1N1C[C@H](C(O)=C(C#N)c2nc(-c3ccc(C(C)(C)C)cc3)cs2)CC1=O 2331331938 KSNKSLVIFRGYKY-JOCHJYFZSA-N 499.680 7.078 50 10 JKGE CCc1cccc(C)c1N1C[C@H](C(O)=C(C#N)c2nc(-c3cccc4ccccc34)cs2)CC1=O 2331339309 WUECKYCZCOYTJJ-OAQYLSRUSA-N 479.605 6.680 50 10 JKGE COc1ccc(OC)c(C=CC(O)=C(C#N)c2nc(-c3cc(Cl)cc(C)c3OC)cs2)c1 2331392199 BDSKSTPNNQBGNW-UHFFFAOYSA-N 468.962 6.304 50 10 JKGE Cc1ccc(C(C)(C)C)cc1-c1csc(C(C#N)=C(O)c2cc([N+](=O)[O-])cc([N+](=O)[O-])c2C)n1 2331396967 SHHSHXLCVCSOSP-UHFFFAOYSA-N 478.530 6.491 50 10 JKGE CCN(Cc1ccccc1)c1ccc(C=C(C#N)c2nc(-c3ccc(OC)c(C)c3)cs2)cc1 2331429704 VAAACQVURYRSTO-UHFFFAOYSA-N 465.622 7.218 50 10 JKGE Brc1cc(Br)cc(C[C@@H](Br)[C@H]2CC[C@@H]3C[C@H]2CO3)c1 2335066514 LOEKTMMKDQRQTK-OADPDTJPSA-N 453.012 5.333 50 10 JKGE Fc1cc(Cl)c(Br)c(Cl)c1[C@@H](Br)CC(F)(F)C(F)F 2335288390 GQQRMDIEVINCNF-VKHMYHEASA-N 450.854 6.622 50 10 JKGE C[C@@H]1OCC[C@H]1C[C@H](Br)c1c(Cl)cc(Br)c(F)c1Br 2337105853 BOADQDASXRBQDT-FXQIFTODSA-N 479.409 6.255 50 10 JKGE FC(F)(F)C12CC([C@H](Br)c3sc(Br)cc3Br)(CO1)C2 2338580493 KXPGRXMYDLEXGK-XNWIYYODSA-N 484.957 5.821 50 10 JKGE Cn1nc(Br)c(Br)c1[C@@H](Br)Cc1c(Cl)cccc1Cl 2338690185 DMYSDLSYZDHXIC-ZETCQYMHSA-N 491.836 5.931 50 10 JKGE Cc1c(Br)sc([C@@H](Br)[C@H]2C[C@H]3CCC[C@H]2CC3)c1Br 2338786119 ZAONBNVZHVJMQG-ZPFDUUQYSA-N 471.096 7.234 50 10 JKGE Cc1cc(Br)c(F)c(Br)c1[C@H](Br)C[C@]12CCC[C@@H]1C2 2339655086 CLVHRUAZGSDDDS-XDMRBOTDSA-N 455.003 6.675 50 10 JKGE Clc1cccc([C@@H](CBr)Cc2cc(I)ccc2Cl)c1 2352430597 WMDBOYFSBHYSLV-GFCCVEGCSA-N 469.975 6.319 50 10 JKGE C[C@H](C[C@@H]1CCOC1)Oc1c(Br)cc(CBr)cc1Br 2353222485 NDQWZWLNFSNOKD-ZJUUUORDSA-N 457.000 5.300 50 10 JKGE COC1([C@H](Cl)c2c(Cl)cc(Br)c(F)c2Br)CC(CF)C1 2362222855 GWCLLXWYVNPFJQ-SKPUXYCPSA-N 452.948 6.049 50 10 JKGE Cc1ccc([C@H](Br)c2c(Cl)cc(Br)c(F)c2Br)c(F)c1 2362229034 HMWJYZWRIJYTEB-LBPRGKRZSA-N 489.379 6.936 50 10 JKGE CCCC[C@@H](C)CC[C@H](Br)c1c(Cl)cc(Br)c(F)c1Br 2362232127 KAUDVUHPAZFECG-ZJUUUORDSA-N 493.480 8.047 50 10 JKGE Fc1c(Br)cc(Cl)c([C@H](Br)[C@@H]2C[C@@H]3CCC[C@@H]3C2)c1Br 2362241104 UATSSNDUTDAQDR-MRCNFZFLSA-N 489.448 7.266 50 10 JKGE Fc1c(Br)cc(Cl)c([C@@H](Br)C2(CC(F)F)CCC2)c1Br 2362253754 JQTLFONZCCSUTH-GFCCVEGCSA-N 499.390 7.266 50 10 JKGE Cc1cc([C@@H](Br)c2c(Cl)cc(Br)c(F)c2Br)ccc1F 2362254707 MYROALIJBYCWHU-GFCCVEGCSA-N 489.379 6.936 50 10 JKGE Cc1cc(Br)c(F)c(Br)c1[C@@H](Br)[C@H]1CC2CCC1CC2 2365178181 ICBINWCPOYMIDU-PTNRUYDSSA-N 469.030 6.921 50 10 JKGE CC(C)[C@H](Br)C(C)(C)CN(C)Cc1ccc(Cl)cc1I 2366678860 HDFVTILZLVAQKW-HNNXBMFYSA-N 472.636 5.822 50 10 JKGE CCOc1ccc([C@H](Cl)c2ccc(Br)cc2I)c(F)c1 2367479914 GIQHFOBMLOQDQD-HNNXBMFYSA-N 469.519 5.920 50 10 JKGE C[C@H]1CC2CC(COc3c(Br)cc(CBr)cc3Br)(C2)O1 2368168282 FRXCRDDVFXDMFU-IEBVAXJPSA-N 469.011 5.443 50 10 JKGE FC(F)(F)[C@@H]1[C@H](Cl)CCCN1Cc1ccc(I)c(Br)c1 2377351078 ALLXQSZTUHDZCS-PWSUYJOCSA-N 482.509 5.188 50 10 JKGE CC(/C=C/c1ccccc1)=N/NC(=O)COc1c(C)cc(Br)cc1Br 12483276 RIFDFDMGJIFHPK-YQMBCCRCSA-N 466.173 5.104 50 10 JKGE N#C/C(C(=O)Nc1cccc(Cl)c1)=C1\S[C@H](Cc2ccc(F)cc2)C(=O)N1c1ccccc1 13562900 ADQZLMNLUYGBHE-FNBPXTNNSA-N 477.948 5.544 50 10 JKGE Cc1ccc2nc(/C(C#N)=C\c3cc([N+](=O)[O-])c(N4CCCCC4)cc3N3CCCCC3)[nH]c2c1 33921318 CMILYSXWKWNERJ-QNGOZBTKSA-N 470.577 5.824 50 10 JKGE N#C/C(=C/c1ccc(OC(=O)c2ccccc2)cc1)C(=O)Nc1ccc([N+](=O)[O-])cc1C(F)(F)F 33930465 RVADCHKJKZAKOK-ATVHPVEESA-N 481.386 5.378 50 10 JKGE Cc1ccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)COc4ccc(Cl)cc4C)ccc32)cc1 38649267 YDFKSKFUCXSKIG-VWLOTQADSA-N 460.917 5.159 50 10 JKGE C=CCOc1ccc(C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@H]3c2ccc(C(C)(C)C)cc2)cc1 38649793 CDORBAKFXMWTNG-MHZLTWQESA-N 480.564 5.986 50 10 JKGE C[C@@H](Oc1ccc(F)cc1)C(=O)Oc1ccc2c(c1)OC(N)=C(C#N)[C@H]2c1cccc(Cl)c1 38651212 IJUDPHDHHCEQPS-FATZIPQQSA-N 464.880 5.070 50 10 JKGE Cc1cc(OCC(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@H]3c2ccc(F)cc2)cc(C)c1Cl 38652915 MILOULXMKNMCJI-DEOSSOPVSA-N 478.907 5.299 50 10 JKGE Cc1cccc(Oc2nc3c(C)cccn3c(=O)c2/C=C(/C#N)C(=O)Nc2cc(C)ccc2C)c1 39858631 PWYPQGCWHMKHFR-QNGOZBTKSA-N 464.525 5.266 50 10 JKGE O=C(NNC(=S)Nc1ccc(Cl)cc1)c1ccc(-c2cc(C(F)(F)F)ccc2Cl)o1 39892588 OMIBYOBNXMMXAP-UHFFFAOYSA-N 474.291 5.904 50 10 JKGE CCCCCOc1ccc(/C=N/NC(=O)COc2ccc(C(C)(C)CC(C)(C)C)cc2)cc1OC 40846910 MMCIQPHRHHRNTA-NDZAJKAJSA-N 482.665 6.507 50 10 JKGE CCCCCCOc1ccc(/C=N/NC(=O)[C@H](C)Oc2cc(C)c(Cl)c(C)c2)cc1OC 40960339 HNARMTRHPTZXKZ-FQNOVECQSA-N 461.002 5.842 50 10 JKGE Cc1cccc(Cn2cc(/C=C(\C#N)C(=O)Nc3cccc(C(F)(F)F)c3)c3ccccc32)c1 59282274 ZRTHKLKASRZOJK-DEDYPNTBSA-N 459.471 6.563 50 10 JKGE COc1ccc(CNC(=O)/C(C#N)=C/c2ccccc2OCc2ccc(Cl)cc2Cl)cc1 59297254 ZWCMLKCBDDYKOP-UDWIEESQSA-N 467.352 5.804 50 10 JKGE COc1ccc(C(=O)N/N=C/c2cc(Cl)ccc2OCc2cccc3ccccc23)cc1OC 59435279 IRPFYQQAJIXROT-MUFRIFMGSA-N 474.944 5.853 50 10 JKGE Cc1cc([C@@H](Br)c2ccc(Br)c(F)c2)c(C)cc1Br 70472093 BSGRMGHPTVODHN-HNNXBMFYSA-N 450.971 6.452 50 10 JKGE COc1ccc(CCNC(=O)/C(C#N)=C\c2cccn2Cc2ccc(Cl)cc2Cl)cc1OC 96504373 HQCJIOZTCOHRFL-UYRXBGFRSA-N 484.383 5.126 50 10 JKGE COc1cc(Br)ccc1[C@H](Br)c1cc(Cl)c(Br)cc1F 97895780 HHCWSCOCBXWODL-AWEZNQCLSA-N 487.388 6.497 50 10 JKGE Cc1c(/C=C(/C#N)c2ccc([N+](=O)[O-])cc2)c2ccccc2n1CCOc1ccc(Cl)cc1 102466730 DKQZKKPWWMPUSW-SILNSSARSA-N 457.917 6.655 50 10 JKGE CCCCOc1ccc(-c2nn(-c3ccccc3)cc2/C=C(/C#N)C(=O)NCc2cccnc2)cc1 102833869 ZKBNMGWKFKTJSJ-ULJHMMPZSA-N 477.568 5.337 50 10 JKGE CCOC(=O)c1ccc(N/C=C(/C#N)c2nc(-c3ccc(C4CCCCC4)cc3)cs2)cc1 102934327 XDPCWZUVDRPVBT-QJOMJCCJSA-N 457.599 7.011 50 10 JKGE CCOc1ccc([C@H](Br)c2cc(Br)sc2Br)cc1OCC 109870211 SOJAXABXAATFFY-AWEZNQCLSA-N 499.062 6.555 50 10 JKGE COc1ccc([C@H](Br)c2cc(Br)c(Br)s2)c(OC)c1 128242227 PURUUDNHJPSKRU-LBPRGKRZSA-N 471.008 5.775 50 10 JKGE Cc1cc([C@@H](Cl)c2cc(Br)ccc2Br)ccc1Br 137878853 NYFWRCXKMLCZIM-CQSZACIVSA-N 453.399 6.611 50 10 JKGE Cc1ccc(Br)c([C@@H](Br)c2cc3c(cc2Br)OCCO3)c1 161760964 FKYDOMUSVGMODV-MRXNPFEDSA-N 476.990 5.776 50 10 JKGE CC(C)(C)c1ccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)/C=C\c4ccccc4)ccc32)cc1 205641090 HQTSVVQHEPIWNO-WKHPKKRKSA-N 450.538 5.821 50 10 JKGE CCOc1ccccc1NC(=O)/C(C#N)=C\c1ccc(OC(F)(F)[C@H](F)C(F)(F)F)cc1 210003610 KCCXGKIYLPLSSJ-KWRJMZDGSA-N 458.358 5.503 50 10 JKGE CCCCCOc1ccc(/C=C2\C(=O)N(Cc3ccc(C)cc3)C(=O)C(C#N)=C2C)cc1OC 214381429 HUYBCHCZFQIKSM-HAHDFKILSA-N 458.558 5.365 50 10 JKGE COc1cc(F)c(Br)cc1[C@H](Br)Cc1ccc(Br)cc1 234910590 KFRDRPOBSWMOOK-GFCCVEGCSA-N 466.970 6.038 50 10 JKGE C[C@H](c1ccccn1)[C@@H](Br)c1cc(Br)ccc1I 235247643 WDVPUCLMBMMLOR-YMTOWFKASA-N 480.969 5.688 50 10 JKGE Clc1sc([C@@H](Cl)c2ccc(Br)cc2Br)cc1Br 236038248 BDDCCRGFRWVKQF-JTQLQIEISA-N 479.846 7.017 50 10 JKGE CC(C)CCC[C@H](C)[C@@H]1CC[C@@H]2[C@H]3CC=C4C[C@@H](OC(=O)CCCCl)CC[C@]4(C)[C@@H]3CC[C@]12C 252585069 FWOCLQPBUVEXDS-WKYPQMTMSA-N 491.200 8.959 50 10 JKGE CC(=NNC(=O)COc1ccc(Cl)cc1Cl)c1cccc(NC(=O)C2CCCCC2)c1 254291970 RGMWBBSUZZOYAH-UHFFFAOYSA-N 462.377 5.431 50 10 JKGE Cc1cc(OCc2ccc(C(=O)NN=C3CCSc4ccc(F)cc43)cc2)ccc1Cl 254348667 KQMDPHJDBUWLFF-UHFFFAOYSA-N 454.954 5.996 50 10 JKGE CC(=NNC(=O)c1ccc(COc2ccc(Cl)c(C)c2)cc1)c1ccc(N2CCCCCC2)cc1 254558973 SFLOZDUTDJHPGD-UHFFFAOYSA-N 490.047 6.762 50 10 JKGE Cc1ccc(-c2nn(-c3ccccc3)cc2C=NNC(=O)c2ccc(-n3c(C)ccc3C)cc2)cc1 254760949 FUBZOESXLLVHNV-UHFFFAOYSA-N 473.580 6.019 50 10 JKGE FC(F)(F)c1csc([C@H](Br)Cc2cccc(Br)c2)c1Br 380121288 KVYOORIWDIVWIH-SNVBAGLBSA-N 492.980 6.971 50 10 JKGE FC(F)(F)OCCOc1c(Br)cc(Br)cc1CBr 381186961 MPCRKWXSEBUGRC-UHFFFAOYSA-N 456.878 5.022 50 10 JKGE ClCc1cc(Br)c(OCc2ccsc2Br)c(Br)c1 388881619 IOCXHNMWADZNPN-UHFFFAOYSA-N 475.427 6.353 50 10 JKGE CC(C)(C)OC(=O)NCCN1CCOC[C@H](c2ccc(CCO[Si](C)(C)C(C)(C)C)cc2)C1 616664285 UKJVKJCUMYSEJC-HSZRJFAPSA-N 478.750 5.191 50 10 JKGE CC(C)(C)[Si](C)(C)OCCc1ccccc1[C@@H]1c2ccccc2CCN1Cc1ccccc1 616679551 CWHQQZAXHMQAIS-LJAQVGFWSA-N 457.734 7.399 50 10 JKGE CC(C)(C)OC(=O)N1C[C@@H](c2ccc(CCO[Si](C)(C)C(C)(C)C)cc2)Nc2ccccc21 616689419 GDMCJAHWKBILBV-QHCPKHFHSA-N 468.714 7.159 50 10 JKGE Cc1cc(Br)c([C@@H](Cl)Cc2ccc(Br)cc2F)cc1Br 692792834 ORPPFJLDQSZHKF-AWEZNQCLSA-N 485.416 6.944 50 10 JKGE Brc1cc2c(cc1[C@@H](Br)c1ccsc1Br)OCCCO2 698583045 DBGIANDKPRBCJC-ZDUSSCGKSA-N 483.019 5.919 50 10 JKGE CN(C(=O)c1ccc(Br)cc1Br)[C@H](CBr)C(C)(C)C 708392338 KEUATDAJRCAMTM-GFCCVEGCSA-N 456.016 5.093 50 10 JKGE C[C@H](Cl)c1nc2cc(I)ccc2n1[C@H]1CN(Cc2ccccc2)CC[C@@H]1C 716301736 RCPCWKRAMXTWRT-QYWGDWMGSA-N 493.820 6.024 50 10 JKGE Cc1sc(C)c([C@@H](Br)c2scc(Br)c2Br)c1C 722482725 DINSYMDVGVKBGU-LLVKDONJSA-N 459.066 6.744 50 10 JKGE Cc1sc([C@@H](Cl)c2cc(Br)ccc2Br)c(C)c1Br 724985139 RDVLKQOEDIKHQB-LBPRGKRZSA-N 473.455 6.981 50 10 JKGE Cc1ccc(C)c(NC(=O)C(=O)NN=Cc2cc(C)n(-c3ccc(Cl)cc3Cl)c2C)c1 1084583801 QHMGDFCKHWHICH-UHFFFAOYSA-N 457.361 5.107 50 10 JKGE O=C(OCc1ccccc1)N1C[C@@H](CCl)[C@H](c2cc(C(F)(F)F)ccc2Br)C1 1614695933 VOOVIFQTQUBHTB-RHSMWYFYSA-N 476.720 6.059 50 10 JKGE COc1ccc(/C(C#N)=C/c2ccc(OC(=O)c3cc(OC)c(OC)c(OC)c3)c(OC)c2)cc1 1615066107 NMWKKBCASHYWMI-UDWIEESQSA-N 475.497 5.013 50 10 JKGE CCc1nn(-c2ccc(Cl)cc2)c2c1[C@H](c1ccc(OC(C)C)c(OC)c1)C(C#N)=C(N)O2 1865697386 RAQXEZOMKZAHCY-JOCHJYFZSA-N 464.953 5.102 50 10 JKGE CCCc1nn(Cc2ccc(Cl)c(Cl)c2)c2c1[C@H](c1cccc(OC)c1)C(C#N)=C(N)O2 1865711925 LNAOOCYDISHJFI-OAQYLSRUSA-N 469.372 5.417 50 10 JKGE COc1ccc([C@@H]2C(C#N)=C(N)Oc3c2c(-c2ccccc2)nn3-c2ccc(Br)cc2)cc1 1865712730 GJTPYGCOHXUHHO-JOCHJYFZSA-N 499.368 5.529 50 10 JKGE CCc1ccc(/C(C)=C/C(=O)N[C@@H](Cc2ccccc2)C(=O)Nc2ccc(SC#N)cc2)cc1 1866686074 XTHXXCOHADDQKA-GDNFTRMYSA-N 469.610 5.592 50 10 JKGE Cc1c(OCc2ccc(CCl)cc2)ccc2c1O/C(=C\c1ccccc1Br)C2=O 1871436644 JAWSCEUXRSZHKD-UUYOSTAYSA-N 469.762 6.692 50 10 JKGE N#C/C(=C(/O)CCN1C(=O)c2cccc([N+](=O)[O-])c2C1=O)c1nc(-c2ccc3ccccc3c2)cs1 1872745469 OHXISZCUXJLVME-QOCHGBHMSA-N 496.504 5.350 50 10 JKGE N#C/C(=C(/O)c1cc(Cl)ccc1Cl)c1nc(-c2cccc(Br)c2)cs1 1872745842 GGCMEGHYEOJYRX-VKAVYKQESA-N 452.160 6.829 50 10 JKGE COc1cc(/C(O)=C(\C#N)c2nc(-c3ccc(Cl)c(Cl)c3)cs2)cc(OC)c1OC 1872748830 PIWTUUPDPUOYAJ-UYRXBGFRSA-N 463.342 6.093 50 10 JKGE CCOC(=O)c1ccc(N2C[C@H](/C(O)=C(\C#N)c3nc(-c4c[nH]c5ccccc45)cs3)CC2=O)cc1 1872753495 ZQLAVSZZEWULJU-BOLJVCIBSA-N 498.564 5.314 50 10 JKGE CCOc1ccc(-c2csc(/C(C#N)=C(\O)COc3ccc(C)c(C)c3)n2)c(OCC)c1 1872755455 OHIVGMNRYDEBQJ-LNVKXUELSA-N 450.560 6.096 50 10 JKGE CCc1ccccc1OC/C(O)=C(\C#N)c1nc(-c2cc(Cl)c(OC)cc2OC)cs1 1872756478 LTPRNWQPGJLSSM-MNDPQUGUSA-N 456.951 5.915 50 10 JKGE Cc1ccc(-c2csc(/C(C#N)=C(\O)CCCOc3ccc(Cl)cc3Cl)n2)cc1C 1872756585 QPLTWZNNPPESBZ-UZYVYHOESA-N 459.398 7.386 50 10 JKGE COc1ccc(-c2csc(/C(C#N)=C(\O)CCCOc3c(C)cccc3C)n2)cc1Cl 1872757570 LZTUHZBJTCRAAQ-UZYVYHOESA-N 454.979 6.741 50 10 JKGE CCc1ccccc1OC/C(O)=C(\C#N)c1nc(-c2ccc(OC)c(OC)c2OC)cs1 1872759545 RWSBEHLXCHRTER-ZPHPHTNESA-N 452.532 5.270 50 10 JKGE N#C/C(=C\c1c(OCc2ccccc2)ccc2ccccc12)c1nc(-c2ccc([N+](=O)[O-])cc2)cs1 1872784092 BYTHHQCFUJYWLH-XQNSMLJCSA-N 489.556 7.515 50 10 JKGE CCCOc1c(Br)cc(/C=C(\C#N)c2nc(-c3ccc(Cl)s3)cs2)cc1OC 1872794708 RFRUODLQFBNSBG-NTUHNPAUSA-N 495.851 7.149 50 10 JKGE COc1ccc(C)cc1-c1csc(/C(C#N)=C(\O)CCCOc2cc(C)c(Cl)c(C)c2)n1 1873921050 RKMDIFDBEWBMHX-XDOYNYLZSA-N 469.006 7.049 50 10 JKGE COC[C@@H]1C[C@H]1[C@H](Br)c1c(Br)sc(Br)c1Br 1896491484 RBFVFQJEMGIEOO-BFHQHQDPSA-N 497.872 5.754 50 10 JKGE C[C@@H](CCCl)N(Cc1ccccc1)C(=O)c1cc(Br)c(Br)s1 1915081083 MMCGGXVDXXUYMW-NSHDSACASA-N 465.638 5.933 50 10 JKGE CC(C)[C@H](CBr)N(Cc1ccccc1)c1ccccc1S(=O)(=O)C(F)(F)F 1915322777 NQRGGKUXUIKFNS-KRWDZBQOSA-N 464.347 5.406 50 10 JKGE Cc1c(Br)sc([C@@H](Br)[C@@H]2COc3ccccc3O2)c1Br 1922883087 ODSSQNBHSBHXEL-JQWIXIFHSA-N 483.019 5.858 50 10 JKGE CC(C)(C)C(C)(C)[C@@H](Cl)c1c(Br)sc(Br)c1Br 1924584341 WRZDXXDQYXDBQK-QMMMGPOBSA-N 467.492 7.388 50 10 JKGE Cl[C@H](C[C@@H]1CC[C@H]2C[C@@H]12)c1c(Br)sc(Br)c1Br 1924613126 GLHYIPXXFRQENF-RULNZFCNSA-N 463.460 6.752 50 10 JKGE Brc1sc(Br)c([C@@H](Br)[C@H]2[C@H]3COC[C@H]32)c1Br 1982231996 JJVRNNLKAHMOLX-RULRNXASSA-N 495.856 5.364 50 10 JKGE CCc1cc(Br)c([C@@H](Br)c2cc(Cl)cc(Br)c2)s1 2029232460 IVLFATPACOYVHI-LBPRGKRZSA-N 473.455 6.973 50 10 JKGE COc1ccc(Br)cc1[C@H](Br)c1sc(Br)cc1C 2038505818 INKQADWFVSPDDN-LBPRGKRZSA-N 455.009 6.074 50 10 JKGE COCc1cc(Br)c([C@H](Br)c2cc(C)sc2Br)s1 2039500679 LYEYBCVNJDYOKE-SNVBAGLBSA-N 475.065 6.274 50 10 JKGE CCOc1cc(C=C(C#N)c2nc(O)c3c4c(sc3n2)C[C@H](C)CC4)cc(Br)c1O 2040446623 JHCDEVZQICHYJY-LLVKDONJSA-N 486.391 5.453 50 10 JKGE Brc1cc(Br)c([C@@H](Br)[C@@H]2CCn3ccnc3C2)s1 2046627622 PVUCAKPTPKHTKV-HQJQHLMTSA-N 455.013 5.168 50 10 JKGE Cc1c(Br)sc([C@H](Br)[C@@H]2CCCC(C)(C)C2)c1Br 2049575281 WKDDPBUBJASXEI-MWLCHTKSSA-N 459.085 7.234 50 10 JKGE CN(Cc1ccccc1)[C@H]1CCCN(c2cc(Br)cc(F)c2CBr)C1 2051131555 MKHWJCBLEPXISC-KRWDZBQOSA-N 470.224 5.584 50 10 JKGE Cc1cc(Cl)c(Br)cc1[C@@H](Br)c1ccccc1OCc1ccccc1 2082378798 DDSHUHKFYLCTRL-NRFANRHFSA-N 480.627 7.474 50 10 JKGE Cc1cc(Br)c([C@@H](Br)CC(C)(C)C(F)(F)F)cc1Br 2094019935 NIPAERRLIOGVDK-NSHDSACASA-N 466.961 6.935 50 10 JKGE FC1(F)[C@H]([C@@H](Br)c2cc(Br)ccc2Br)C12CCCC2 2097390324 LGSDRWRKOBSSMJ-NWDGAFQWSA-N 458.966 6.473 50 10 JKGE Cc1ccc(Br)c([C@@H](Br)c2cc(Br)c(Cl)cc2F)c1 2097834349 KKNWKKGENPFKNH-CQSZACIVSA-N 471.389 6.797 50 10 JKGE COc1ccc([C@@H](Cl)c2cc(I)ccc2F)c(Br)c1 2113357756 JKRMBMOMPFWIAM-CQSZACIVSA-N 455.492 5.530 50 10 JKGE Clc1c(Br)cccc1CC[C@@H](Br)c1ccccc1Br 2113449804 ODYKLPMUWRMPEG-CYBMUJFWSA-N 467.426 6.934 50 10 JKGE Clc1sc([C@H](Cl)c2cc(I)cc3c2OCC3)cc1Br 2115941961 GGWZQVDTKHRFKU-LLVKDONJSA-N 489.987 6.032 50 10 JKGE CC1(C)CC[C@H](Br)[C@H](Cc2cc(Cl)ccc2I)CC1 2122940826 HHHRQUVXKYOPLX-FZMZJTMJSA-N 455.605 6.467 50 10 JKGE Fc1cc(Br)cc(OCc2ccccc2Br)c1CBr 2135997148 KKHDBTVJZWJMEE-UHFFFAOYSA-N 452.943 5.825 50 10 JKGE Brc1ccc([C@H](Br)[C@@]23CCCC[C@H]2CCC3)c(Br)c1 2138862780 HCEYFSKTLWEUBP-KNXALSJPSA-N 451.040 7.008 50 10 JKGE Clc1cc(CN2C[C@@H](Br)CCC23CCC3)ccc1I 2142950065 OMVDLUYMOMAAMF-LBPRGKRZSA-N 454.577 5.227 50 10 JKGE BrCc1cc(Br)ccc1N1C[C@@]23CCC[C@]2(CN(Cc2ccccc2)C3)C1 2153341636 SCVUOTKAWAXXNZ-GOTSBHOMSA-N 490.283 5.837 50 10 JKGE COC1CC2(C1)CC(CBr)(Cc1cc(Cl)ccc1I)C2 2156577104 BOKJOUBNSIXCJN-UHFFFAOYSA-N 469.588 5.457 50 10 JKGE C[C@H]1CN(C(=O)c2cc(Br)cc(Br)c2)CC[C@@H]1CCBr 2172473000 JHRCJIFVSRPXGZ-QWRGUYRKSA-N 468.027 5.095 50 10 JKGE Cc1cccc([C@H](Br)c2c(Br)cc(F)c(Cl)c2F)c1Br 2201620043 XCESHBZSFIPAFH-LBPRGKRZSA-N 489.379 6.936 50 10 JKGE Cc1ccc([C@H](C)[C@H](Br)c2cc(Br)sc2Br)cc1 2223968035 IGARTVDSEQDMBB-ZANVPECISA-N 453.037 6.821 50 10 JKGE Fc1cc(Br)c(Br)cc1[C@@H](Br)C1(F)CC2(CCC2)C1 2225618466 XQUBKYKGGGEBEC-GFCCVEGCSA-N 458.966 6.459 50 10 JKGE Cc1sc([C@H](Br)c2cc(Br)c3c(c2)CCO3)cc1Br 2226083526 CEWBBJCIZCEJML-CYBMUJFWSA-N 467.020 6.001 50 10 JKGE Cc1cc([C@@H](Br)c2c(Br)cc(C)c(Br)c2C)oc1C 2227352140 BPKUWRARLZOJMA-OAHLLOKOSA-N 450.996 6.523 50 10 JKGE COc1sc([C@H](Br)c2cc(C)c(Br)c(C)c2)cc1Br 2227423207 ZQZUHJWZKILJBW-CYBMUJFWSA-N 469.036 6.383 50 10 JKGE FC(F)(F)[C@@H]1CCO[C@H]1[C@@H](Br)c1c(Cl)sc(Br)c1Cl 2231818656 CXIULIDWOASDEE-SYTVJDICSA-N 462.940 6.221 50 10 JKGE Cc1ccc(I)c([C@H](Br)Cc2cccc(Cl)c2F)c1 2232183295 LDDJWNCVKPHYLS-GFCCVEGCSA-N 453.520 6.071 50 10 JKGE COc1ccc(Br)cc1[C@H](Cl)c1cc(C)ccc1I 2232219831 KKWCJGITKDCEAE-OAHLLOKOSA-N 451.529 5.699 50 10 JKGE CC1(C)CC(C)(CO[C@](C)(CI)c2ccccc2Br)C1 2236462036 RQNCFKMUSDDAJU-QGZVFWFLSA-N 451.186 5.942 50 10 JKGE COC[C@]1(C)C[C@@H]1[C@H](Br)c1c(Br)sc(Br)c1Cl 2248741525 YPARAGQOBQWQKH-BQULIXMISA-N 467.448 6.035 50 10 JKGE CCc1cc([C@@H](Br)c2ccc(Br)c(F)c2)sc1Br 2256057758 SOQCAYMHPVQHKJ-LBPRGKRZSA-N 457.000 6.459 50 10 JKGE Cc1cc(Br)c([C@@H](Br)[C@@H]2CCC23CCC3)c(C)c1Br 2266140634 PPMUDDIMKKNIAX-NHYWBVRUSA-N 451.040 6.845 50 10 JKGE Cc1cc(F)c(Cl)cc1[C@@H](Br)c1c(F)cccc1I 2267745679 YTBNTQSCALIRTG-CQSZACIVSA-N 457.483 6.016 50 10 JKGE Fc1cc(Cl)c([C@@H](Br)Cc2ccncc2Br)cc1Br 2270439339 UXZODFLTLZEXCC-VIFPVBQESA-N 472.377 6.078 50 10 JKGE Fc1cc(Br)c(F)c(Br)c1[C@H](Br)[C@H]1C[C@@]12CCOC2 2272722347 SBHBJYBEGDPCPJ-WOJVDSEISA-N 460.938 5.352 50 10 JKGE Cc1ccc(I)c([C@@H](Br)Cc2ccc(Cl)c(F)c2)c1 2277787903 UWGXHBBSVVQLGV-LBPRGKRZSA-N 453.520 6.071 50 10 JKGE CO[C@@H](COc1c(Br)cc(CBr)cc1Br)CC(C)(C)C 2287303646 MDYDRGZNBYRGAS-LLVKDONJSA-N 473.043 5.937 50 10 JKGE C=CC[C@]1(CBr)CCN(C(=O)c2cc(Br)ccc2Br)C1 2287757245 FIHADCHEPGDYQQ-OAHLLOKOSA-N 466.011 5.015 50 10 JKGE C=CC[C@@]1(CBr)CCCN(C(=O)c2cc(Br)sc2Br)C1 2287763961 ILXSCZFZYFMXPA-AWEZNQCLSA-N 486.067 5.467 50 10 JKGE Cc1cccc(Br)c1[C@H](Cl)c1c(F)cc(Br)c(F)c1Br 2288496396 HBTSRGOIMGRNQI-ZDUSSCGKSA-N 489.379 6.889 50 10 JKGE CC1(C)CCC(C)(C)[C@@H](Cc2cc(Br)ccc2Br)[C@@H]1Br 2290312012 VAEHMYKCBWJKSO-ZFWWWQNUSA-N 467.083 6.980 50 10 JKGE CCc1ccc(NC(=O)C(C#N)=Cc2ccc(Oc3ccc([N+](=O)[O-])cc3[N+](=O)[O-])c(OC)c2)cc1 2294168665 YXXUNGYPNMKTQD-UHFFFAOYSA-N 488.456 5.412 50 10 JKGE Cc1cc(Br)c([C@H](Br)c2ccc3scnc3c2)cc1Br 2296081325 MITHZQVVXSAKPY-OAHLLOKOSA-N 476.031 6.614 50 10 JKGE COc1cc2nc(C(C#N)=Cc3cc4cc(-c5ccccc5)ccc4nc3Cl)nc(O)c2cc1OC 2297722362 DXUAWNINHHMHAO-UHFFFAOYSA-N 494.938 6.285 50 10 JKGE Brc1ccc(OCc2ccccc2)c([C@@H](Br)[C@H]2[C@H]3COCC[C@H]32)c1 2299489694 RNMSNLQXHRHQLT-MCYKXBRJSA-N 452.186 5.747 50 10 JKGE CC[C@@H]1OCC[C@H]1[C@@H](Br)c1ccc(OCc2ccccc2)cc1Br 2299491434 AIYCTBYUACOLFH-HOJAQTOUSA-N 454.202 6.279 50 10 JKGE CC[C@@H]1OCC[C@H]1[C@H](Br)c1ccc(OCc2ccccc2)cc1Br 2299491442 AIYCTBYUACOLFH-YZGWKJHDSA-N 454.202 6.279 50 10 JKGE C[C@@H]1COCC[C@@H]1[C@@H](Br)c1cc(Br)ccc1OCc1ccccc1 2299494258 NGIUVXXUMROBHH-CFLQYTFWSA-N 454.202 6.137 50 10 JKGE CCCC1CC([C@H](Br)c2cc(Br)ccc2OCc2ccccc2)C1 2299501323 NESUFCYAAMXLOL-BPZDKFOGSA-N 452.230 7.290 50 10 JKGE Clc1cc(Br)ccc1C[C@@H](Br)c1cnsc1Br 2300334049 NISCKTWUOJEKMR-SECBINFHSA-N 460.416 6.000 50 10 JKGE Fc1ccc(Cl)cc1[C@@H](Br)c1sc(Cl)cc1I 2301083569 JPTZFAIJMIZRJJ-SNVBAGLBSA-N 465.940 6.283 50 10 JKGE Cc1ccc(NC(=O)C(C#N)=Cc2cc(Br)ccc2OCc2ccccc2F)cc1 2313541136 VPCSRQKRQQOWBD-UHFFFAOYSA-N 465.322 6.021 50 10 JKGE COc1cc(Br)c(C=C(C#N)C(=O)Nc2cccc(Cl)c2Cl)cc1OC 2313571382 VAQNHZHSFFDOSO-UHFFFAOYSA-N 456.123 5.319 50 10 JKGE CCn1cc([C@H](Cl)c2ccc(OCc3ccccc3)cc2Br)nc1Br 2314499397 CEJYRBKSRGZELY-GOSISDBHSA-N 484.619 6.335 50 10 JKGE CCCCCCOc1ccc(C=C(C#N)C(=O)Nc2nc(C)c(C(=O)OCC)s2)cc1OC 2314728873 OZIFGMYUYSNHJF-UHFFFAOYSA-N 471.579 5.142 50 10 JKGE COc1cc(Br)c(C)cc1[C@@H](Br)c1cnsc1Br 2315642968 JAJGRTIGEYGNND-LLVKDONJSA-N 455.997 5.469 50 10 JKGE Fc1cc(F)c([C@H](Br)c2sc(Cl)cc2I)c(F)c1 2316768603 AMXPKZKJPXSVQB-JTQLQIEISA-N 467.475 5.908 50 10 JKGE Cc1cc(Br)c(F)c(Br)c1[C@H](Br)C[C@@H](C)C(F)F 2317399103 HCNMSGAAJPZSEF-RNFRBKRXSA-N 452.934 6.386 50 10 JKGE Fc1ccc([C@@H](Cl)c2ccc(Cl)cc2I)cc1Br 2317774294 IFFZWQWDSCLSJQ-CYBMUJFWSA-N 459.911 6.174 50 10 JKGE O=C(NN=Cc1ccc(OCc2cccc(Cl)c2)cc1)c1ccc2[nH]c3c(c2c1)CCCC3 2321672334 QBWFVVKIBOZRCC-UHFFFAOYSA-N 457.961 6.043 50 10 JKGE CCOc1cc(C=C(C#N)c2nc3cc(C)c(C)cc3[nH]2)ccc1OCc1cc(C)ccc1C 2323839601 IXSPKKVICLUAAU-UHFFFAOYSA-N 451.570 6.838 50 10 JKGE N#CC(=CN(Cc1ccccc1)Cc1ccccc1)C(=O)Nc1ccc(Oc2ccccc2)cc1 2325141211 WCMDSJWRXXFLTI-UHFFFAOYSA-N 459.549 6.527 50 10 JKGE N#CC(=CNC1CCN(Cc2ccccc2)CC1)C(=O)Nc1ccc(Oc2ccccc2)cc1 2325141527 RDZCXFOQOCEPFG-UHFFFAOYSA-N 452.558 5.079 50 10 JKGE COc1cccc(C=C(C#N)c2ncccc2[N+](=O)[O-])c1OCc1ccc(Br)cc1 2331059577 ROJNXNQAMSWSSO-UHFFFAOYSA-N 466.291 5.404 50 10 JKGE CCc1ccc(-c2csc(C(C#N)=C(O)c3ccc4c(c3)C(=O)N(Cc3ccccn3)C4=O)n2)cc1 2331245454 NNJLXEABABFBOL-UHFFFAOYSA-N 492.560 5.514 50 10 JKGE CCc1cccc(CC)c1N1C[C@H](C(O)=C(C#N)c2nc(-c3ccc([N+](=O)[O-])cc3)cs2)CC1=O 2331281134 KIQQHTLLMSWHER-LJQANCHMSA-N 488.569 5.689 50 10 JKGE COc1ccc(C=C(C(O)=C(C#N)c2nc(-c3ccc(C(C)(C)C)cc3)cs2)c2ccccc2)cc1 2331331987 RDDRXDQSXFSWEF-UHFFFAOYSA-N 492.644 8.150 50 10 JKGE CC[C@@H](C)[C@@H](C(O)=C(C#N)c1nc(-c2ccc(OC)c(F)c2)cs1)N1C(=O)c2ccccc2C1=O 2331337735 WGLNAOGSFWGGIC-PEBXRYMYSA-N 491.544 5.461 50 10 JKGE COc1ccc(-c2csc(C(C#N)=C(O)c3cc([N+](=O)[O-])c(C)c([N+](=O)[O-])c3)n2)cc1Cl 2331399480 PQAVIYJQTUUHBG-UHFFFAOYSA-N 472.866 5.547 50 10 JKGE COc1ccc(-c2csc(C(C#N)=C(O)c3cc(Cl)ccc3Cl)n2)c2ccccc12 2331408288 SUZHMUJVLXDDLX-UHFFFAOYSA-N 453.350 7.229 50 10 JKGE Brc1cc(OCc2ccccc2)ccc1[C@H](Br)[C@@H]1C[C@@H]1C1CCCCC1 2336048561 VKQXCRVXKUWJIT-XPNTWCBSSA-N 478.268 7.681 50 10 JKGE Cc1cc(Cl)c(Br)cc1[C@@H](Cl)c1ccc(Cl)cc1I 2340064258 DYVOXMGNLBAGRN-AWEZNQCLSA-N 490.393 6.997 50 10 JKGE Clc1ccccc1[C@@H](CBr)OCc1cccc(I)c1 2341622895 JBAVTCPQLXNKHL-OAHLLOKOSA-N 451.529 5.597 50 10 JKGE Cl[C@@H]1[C@H](Cc2ccc(I)c(Br)c2)C[C@H]2CCCC[C@H]21 2349779248 SGFQFWPPSZXUJA-BRXULGCHSA-N 453.589 6.030 50 10 JKGE O=C(c1scc(Br)c1Br)N1CC[C@H](Cl)C[C@H]1C(F)(F)F 2361462956 QUQWCNMZHWPDHH-FSPLSTOPSA-N 455.521 5.047 50 10 JKGE Clc1ccc(C[C@H]2CCc3ccccc3[C@@H]2Br)cc1I 2362434266 ZHWSKJQAVRCQBH-CXAGYDPISA-N 461.568 6.186 50 10 JKGE CCOc1ccc([C@@H](Cl)c2c(Br)c(Br)nn2C)cc1Br 2364064666 UROHGQUETNXXMB-LLVKDONJSA-N 487.417 5.435 50 10 JKGE COc1c(Br)cc(C)c([C@@H](Br)[C@H]2CC23CCCC3)c1Br 2365190514 FYCZTKJUOFJEDP-MFKMUULPSA-N 467.039 6.545 50 10 JKGE COc1c(Br)cc(C)c([C@@H](Br)[C@@H](C)CC(C)(C)C)c1Br 2365192062 UHNNPTMSUUMMNB-GWCFXTLKSA-N 471.071 7.037 50 10 JKGE CC1(C)CCC(C)(C)[C@H](Br)[C@H]1Cc1cc(I)ccc1Cl 2380541670 JOZXSDYHSSVMLN-UKRRQHHQSA-N 469.632 6.713 50 10 JKGE COc1ccc(NC(=O)/C(C#N)=C\c2cn(CCOc3cc(C)ccc3C(C)C)c3ccccc23)cc1 2769325 JWXTYJFUEKDMAO-NKFKGCMQSA-N 493.607 6.706 50 10 JKGE COc1cc(/C=C(/C#N)c2ccccc2)ccc1OC(=O)CC(c1ccccc1)c1ccccc1 31901837 HJCUWSDUDKBJBV-DIBXZPPDSA-N 459.545 6.887 50 10 JKGE CCCSc1ccc(-c2nn(-c3ccccc3)cc2/C=C(/C#N)C(=O)NCc2ccccc2)cc1 33939630 UNLUJPXNSFLFGU-MOHJPFBDSA-N 478.621 6.265 50 10 JKGE CCCSc1ccc(-c2nn(-c3ccccc3)cc2/C=C(\C#N)C(=O)N2CCCCC2)cc1 35445885 JRYKOJAGCWVJBX-RELWKKBWSA-N 456.615 5.961 50 10 JKGE CCCn1c(-c2ccc(C(=O)NNC(=O)C(c3ccccc3)c3ccccc3)s2)nc2ccccc21 35554286 NITSXESPRKGYPX-UHFFFAOYSA-N 494.620 5.768 50 10 JKGE CCc1cccc(N2C(=O)CS[C@@H]2c2ccc(NC(=O)[C@H](Cl)c3ccccc3)cc2)c1 35928735 CUHKRGRXCKPVNH-ILBGXUMGSA-N 450.991 5.946 50 10 JKGE CCCSc1ccc(-c2nn(-c3ccccc3)cc2/C=C2/C(=O)N(C(C)C)C(=O)C(C#N)=C2C)cc1 38604391 SLDMEHSOOKGFIT-PCLIKHOPSA-N 496.636 6.042 50 10 JKGE Cc1ccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4oc5cc(C)cc(C)c5c4C)ccc32)cc1 38687013 XKLNMENSBSFSDN-AREMUKBSSA-N 464.521 6.104 50 10 JKGE CCOc1ccc(NC(=O)c2oc3c(c2C)/C(=N/NC(=O)c2cccc(Cl)c2)CCC3)cc1 40813357 WLSCCSXHEXMWIV-VFCFBJKWSA-N 465.937 5.363 50 10 JKGE COc1cc(/C=C(\C#N)c2ccc(Cl)cc2)ccc1OC(=O)/C=C/c1ccc(Cl)cc1Cl 40847930 BIBYGUKVZKMIIS-VIWQMLNCSA-N 484.766 7.338 50 10 JKGE CCOc1ccc(Br)cc1/C=N/NC(=O)CCCOc1ccc(C)cc1Br 40951282 HTDPTUBOJOECDA-YDZHTSKRSA-N 498.215 5.228 50 10 JKGE O=C(N/N=C/c1ccc(OCc2ccc3ccccc3c2)c(Br)c1)c1cc2ccccc2o1 59303831 NRVPTUCOASSLSM-MUFRIFMGSA-N 499.364 6.691 50 10 JKGE O=C(CCCCCNc1ccc(C(F)(F)F)cc1[N+](=O)[O-])N/N=C/c1c(O)ccc2ccccc12 59516486 NEOYTPRLVFJQDW-WKULSOCRSA-N 488.466 5.595 50 10 JKGE CCOc1cc(/C=C(/C#N)C(=O)Nc2ccccc2)ccc1OCCOc1ccc(Cl)c(C)c1 96482378 SMQISOIDSUCHEA-PGMHBOJBSA-N 476.960 6.051 50 10 JKGE BrCC(CBr)(Cc1ccsc1)c1cccc(Br)c1 118671900 LGHSBGAIMSBKCZ-UHFFFAOYSA-N 453.037 5.781 50 10 JKGE Clc1cccc(C[C@H](Br)c2cc(Br)c(Br)s2)c1 128192250 FHAMDGIMRGUZCK-VIFPVBQESA-N 459.428 6.605 50 10 JKGE CC(C)(C)OCCC(CBr)(CBr)c1ccccc1Br 133733633 CXLMXMSDLWYNBG-UHFFFAOYSA-N 457.044 5.682 50 10 JKGE CCOC(=O)/C(C#N)=C\c1ccc(OC(=O)CCCOc2ccc(C(C)C)c(C)c2)c(OCC)c1 207297918 SONYTIDLQBLQKW-JWGURIENSA-N 479.573 5.752 50 10 JKGE CC[C@@H](C)N1C(=O)C(C#N)=C(C)/C(=C/c2cn(-c3ccccc3)nc2-c2c(C)cc(C)cc2C)C1=O 214254194 RTFYKKKMZYAJFZ-QEMKNDADSA-N 478.596 5.855 50 10 JKGE CSc1cccc(N/C=C(/C#N)C(=O)N2CCN(C(c3ccccc3)c3ccccc3)CC2)c1 216495707 IOBNHTXHXMAGFT-FLFQWRMESA-N 468.626 5.162 50 10 JKGE CC1(C)C[C@H]2C[C@@](C)(CN2/C=C(/C#N)C(=O)N2CCN(C(c3ccccc3)c3ccccc3)CC2)C1 216502121 TZYDHGTWEKTHIL-KLTDXQODSA-N 482.672 5.228 50 10 JKGE COc1ccc(Cl)cc1[C@@H](Br)c1cc(Cl)ccc1I 234859508 IFIRGHQPBYGJIS-AWEZNQCLSA-N 471.947 6.091 50 10 JKGE COc1cc(Cl)c([C@H](Br)c2cccc(C)c2I)cc1Cl 234900446 GEOJVMJYBCRLQJ-CQSZACIVSA-N 485.974 6.399 50 10 JKGE COc1cc(C=NNC(=O)CSc2nc3ccccc3o2)cc(Cl)c1OCc1ccc(C)cc1 252639814 YNYNLJYMBVBICX-UHFFFAOYSA-N 495.988 5.620 50 10 JKGE O=C(N/N=C(\Cc1ccccc1)c1ccc(-c2ccccc2)cc1)c1ccc(Br)cc1 253577328 WXVNNLYMCSERHR-PBBVDAKRSA-N 469.382 6.493 50 10 JKGE COc1ccc(-n2c(SCC(=O)NN=Cc3ccc(C(C)C)cc3)nnc2-c2ccccc2)cc1 254301705 DBICRMMEJGBSCQ-UHFFFAOYSA-N 485.613 5.309 50 10 JKGE Cc1cccc(C(=O)Oc2ccc3ccccc3c2C=NNC(=O)c2ccc([N+](=O)[O-])cc2)c1 254898508 UBVFPEBZGTVROE-UHFFFAOYSA-N 453.454 5.040 50 10 JKGE COc1cc(Br)c([C@@H](Br)c2cc(Br)oc2C)cc1OC 396605359 RIBWARDABPXPDX-AWEZNQCLSA-N 468.967 5.615 50 10 JKGE Cl[C@@H](Cc1ccccc1Br)c1cc(Br)sc1Br 692425423 XZMQBEXTSGGSTC-JTQLQIEISA-N 459.428 6.558 50 10 JKGE CC(C)(CC(F)F)CC(CBr)(CBr)c1ccccc1Br 693970190 FHRGYVIFYFLGED-UHFFFAOYSA-N 477.025 6.548 50 10 JKGE CN1C(=O)Cc2cc([C@@H](Br)c3scc(Br)c3Br)ccc21 705462443 GLPDFOCVBDNWJP-GFCCVEGCSA-N 480.019 5.276 50 10 JKGE Brc1csc([C@H](Br)Cc2nc3ccccc3o2)c1Br 705463625 LMRHBWXNIBIJGL-SSDOTTSWSA-N 465.992 6.093 50 10 JKGE CCC(C)(C)c1ccc([C@H](Br)c2scc(Br)c2Br)cc1 705467048 WYAGVIAIZPJLAK-ZDUSSCGKSA-N 481.091 7.445 50 10 JKGE C[C@H]1Cc2cc(Br)cc([C@@H](Br)c3ncsc3Br)c2O1 720037511 ALUJMGCNLQYTSL-QUBYGPBYSA-N 468.008 5.476 50 10 JKGE CC(=NNC(=O)c1ccc(NC(=O)c2ccccc2C)cc1)c1ccc(Br)cc1 1083865892 GQXNVULYYYEZHI-UHFFFAOYSA-N 450.336 5.164 50 10 JKGE CCOc1cc(/C=C(\C#N)C(=O)Nc2ccccc2C)ccc1OCc1ccc(Cl)c(Cl)c1 1083902711 UZYLWAXBRSVTII-UDWIEESQSA-N 481.379 6.825 50 10 JKGE Cc1cc(C)c(C(CSc2nc3ccccc3[nH]2)=NNC(=O)c2cccc(Cl)c2)cc1C 1083922627 JONAXODJIJTPCX-UHFFFAOYSA-N 463.006 6.068 50 10 JKGE C=CCc1cc(C=NNC(=O)c2cc3cc(Br)ccc3o2)cc(OC)c1OCC 1083930222 FWMVRIWTLBQPIK-UHFFFAOYSA-N 457.324 5.095 50 10 JKGE COc1ccc(CSCC(=O)NN=Cc2cc(C)n(-c3ccc(Br)cc3)c2C)cc1 1084424381 RNHRMDHMIRLJLR-UHFFFAOYSA-N 486.435 5.249 50 10 JKGE O=C(OCc1ccccc1)N1C[C@@H](CBr)[C@@H](c2ccc(F)c(C(F)(F)F)c2)C1 1614624098 OORZGLQTQCYQEI-HZPDHXFCSA-N 460.265 5.592 50 10 JKGE O=C(CSc1c(Cl)cc(Cl)cc1Cl)NNC(=O)Nc1cccc(C(F)(F)F)c1 1616049258 XWYNRBAFLWRRHN-UHFFFAOYSA-N 472.703 5.611 50 10 JKGE C[C@@]12CC[C@@H](CC1=NOC(=O)Cc1coc3ccc4ccccc4c13)[C@]2(C)CBr 1772721802 WNDKBCXFLGDUGC-VWMXVWASSA-N 454.364 6.249 50 10 JKGE Cc1ccc(Cn2nc(-c3ccccc3)c3c2OC(N)=C(C#N)[C@H]3c2ccccc2Cl)cc1 1865686491 WXRPVFSYZOHSSK-HSZRJFAPSA-N 452.945 5.778 50 10 JKGE COc1ccc2ccccc2c1[C@H]1C(C#N)=C(N)Oc2c1c(C(F)(F)F)nn2-c1ccc(Cl)cc1 1865688725 ZDZIRVRBDSIPPZ-HXUWFJFHSA-N 496.876 5.924 50 10 JKGE CCCCOc1ccc([C@H]2C(C#N)=C(N)Oc3c2c(CC)nn3-c2ccc(Cl)c(Cl)c2)cc1 1865690165 KIXNFKFSHVJRKH-QFIPXVFZSA-N 483.399 6.139 50 10 JKGE CCCOc1ccc([C@H]2C(C#N)=C(N)Oc3c2c(-c2ccccc2)nn3-c2ccc(C)cc2)cc1 1865693553 KOUDGUQQRYPJCF-VWLOTQADSA-N 462.553 5.855 50 10 JKGE CCc1nn(-c2ccccc2)c2c1[C@@H](c1ccc(OCc3ccc(C)cc3)c(OC)c1)C(C#N)=C(N)O2 1865695321 NJJPKEBXVHPNJE-MHZLTWQESA-N 492.579 5.549 50 10 JKGE CCCCOc1ccc([C@H]2C(C#N)=C(N)Oc3c2c(C)nn3-c2ccc(Cl)c(Cl)c2)cc1OC 1865697571 WXQZCUVGOIDBOZ-QHCPKHFHSA-N 499.398 5.893 50 10 JKGE CCCc1nn(-c2ccc(Cl)c(Cl)c2)c2c1[C@@H](c1ccccc1OC)C(C#N)=C(N)O2 1865710298 UJMUCQFSWOBSMH-FQEVSTJZSA-N 455.345 5.358 50 10 JKGE COc1ccc(-c2nn(-c3cccc(Cl)c3)c3c2[C@H](c2ccccc2OC)C(C#N)=C(N)O3)cc1 1865710452 YKINDAWCAQHPKS-HSZRJFAPSA-N 484.943 5.428 50 10 JKGE Cc1ccc(C)c(Cn2nc(-c3ccccc3)c3c2OC(N)=C(C#N)[C@H]3c2ccc(O)c([N+](=O)[O-])c2)c1 1865714011 AWTVGWYBYXBNNF-XMMPIXPASA-N 493.523 5.047 50 10 JKGE CC(C)c1nc(Nc2ccc(SC#N)cc2)cc(N2CCN(CCc3cccc(Cl)c3)CC2)n1 1868231558 KQUAOTVTEHNRHA-UHFFFAOYSA-N 493.080 5.935 50 10 JKGE COCCc1nc(Nc2ccc(SC#N)cc2)cc(N2CCC[C@H]2c2ccc(C(F)(F)F)cc2)n1 1868253041 AOURWKLCTAUZBK-NRFANRHFSA-N 499.562 6.343 50 10 JKGE COCCc1nc(Nc2ccc(SC#N)cc2)cc(N2C[C@@H](C)O[C@H](c3ccc(F)cc3)C2)n1 1868253849 VZSFQTQVYHDYSA-VGSWGCGISA-N 479.581 5.088 50 10 JKGE Cc1nc(Nc2ccc(SC#N)cc2)cc(N2CC(C)(C)c3ccccc3[C@@H]2c2ccccc2)n1 1868480368 LWZZCUCTENTNSP-NDEPHWFRSA-N 477.637 6.989 50 10 JKGE C[C@H](Oc1ccc(Cl)cc1Cl)/C(O)=C(\C#N)c1nc(-c2ccc3ccccc3c2)cs1 1872745329 HSFUMBVNOWQDMW-QETBKQIWSA-N 467.377 7.530 50 10 JKGE COc1cc(/C=C/C(O)=C(\C#N)c2nc(-c3ccc(Cl)c(Cl)c3)cs2)cc(OC)c1OC 1872748796 NWBUVMUASHUYRC-KYBBCCOLSA-N 489.380 6.649 50 10 JKGE COc1cc(-c2csc(/C(C#N)=C(O)/C=C/c3ccc(C(C)C)cc3)n2)c(OC)cc1Cl 1872754930 QBNCIAAIWUMEGO-OCEZQBILSA-N 466.990 7.110 50 10 JKGE CCOc1cc(/C=C(\C#N)c2nc(-c3ccccc3OC)cs2)ccc1OCc1ccccc1C 1872784076 BCVQTRWVXHXYFU-HZHRSRAPSA-N 482.605 7.169 50 10 JKGE CCCCCOc1ccc(/C=C(\C#N)c2nc(-c3cc(OCC)ccc3OCC)cs2)cc1 1872792818 SGOJLOSHSYSNHU-LTGZKZEYSA-N 462.615 7.241 50 10 JKGE FC(F)(F)[C@H]1OC2([C@@H](Br)c3cc(Br)sc3Br)CC1C2 1878419375 SJNILZBJERRSHJ-CRLSURHYSA-N 484.957 5.819 50 10 JKGE C[C@@H]1OCC[C@@H]1[C@@H](Cl)c1c(Br)sc(Br)c1Br 1894269993 MAYNOZROLISDML-ZVQZEWSASA-N 453.421 5.741 50 10 JKGE C[C@@H]1OCC[C@@H]1[C@H](Br)c1c(Br)sc(Br)c1Cl 1894271657 WRVXWEJUABGRLH-VPLCAKHXSA-N 453.421 5.788 50 10 JKGE C[C@@H](Cl)c1nc2c(Br)cc(F)cc2n1CC[C@@H](C)N(C)Cc1ccccc1 1912669125 JYDNXGMFJUOJNZ-HUUCEWRRSA-N 452.799 6.148 50 10 JKGE COc1cc(Br)c([C@@H](Br)c2cc(C)c(Br)o2)cc1OC 1917611442 DXLNRDDFIVQHSQ-CYBMUJFWSA-N 468.967 5.615 50 10 JKGE COc1ccc(CC[C@@H](Br)c2sc(Br)c(C)c2Br)cc1 1922880155 CENPBTKMRGEHFY-GFCCVEGCSA-N 483.063 6.659 50 10 JKGE CCOc1ccc([C@@H](Br)c2sc(Br)cc2Br)cc1 1922946405 QSQAYHOMWFUXDN-GFCCVEGCSA-N 455.009 6.156 50 10 JKGE CC(C)Oc1cccc([C@@H](Br)c2sc(Br)cc2Br)c1 1922954892 TYLADPLPRIWCKM-CYBMUJFWSA-N 469.036 6.545 50 10 JKGE Clc1c(Br)sc(Br)c1[C@H](Br)[C@H]1C[C@H]1c1ccccc1 1923065537 DPELMOBGZWKTFV-ATZCPNFKSA-N 485.466 7.166 50 10 JKGE FC1(F)[C@@H]2CC[C@H]([C@@H](Br)c3c(Br)sc(Br)c3Cl)C[C@H]21 1923068230 OOBSHVINLKXOBW-LENIQADQSA-N 499.440 7.044 50 10 JKGE FC1(F)[C@@H]([C@H](Cl)c2c(Br)sc(Br)c2Br)C12CCCC2 1924569248 SAVQGTHTMIJLCD-SFYZADRCSA-N 499.440 7.141 50 10 JKGE CCCC1([C@H](Cl)c2c(Br)sc(Br)c2Br)CC1 1924580069 OEBMBTWQJSTLAG-MRVPVSSYSA-N 451.449 6.896 50 10 JKGE COc1cc(Cl)ccc1[C@H](Br)c1c(Cl)sc(Br)c1Cl 1925590126 NDPKEZNFVWUBDJ-VIFPVBQESA-N 465.421 6.964 50 10 JKGE CC[C@H](Br)CN(Cc1ccccc1)C(=O)c1cscc1OCc1ccccc1 1934836819 XVBDOEQEYGMHBK-FQEVSTJZSA-N 458.421 6.143 50 10 JKGE Cc1cc(Br)ccc1[C@H](Br)c1sc(Cl)cc1Br 1948828642 LYECQFHJXGARRJ-NSHDSACASA-N 459.428 6.719 50 10 JKGE C[C@]1([C@H](Br)c2cc(Br)c(Br)s2)C[C@@H]1C(F)(F)F 1950758145 RTWZJPPHFDYELH-OOZYFLPDSA-N 456.947 6.298 50 10 JKGE COC1CC(C[C@H](Br)c2c(Br)sc(Br)c2Cl)C1 2002407809 IMKVYFZURCGPNY-AHXFUIDQSA-N 467.448 6.178 50 10 JKGE Cc1nn(C)c(Br)c1[C@@H](Br)c1sc(Cl)cc1Br 2013205323 RUSKKGZFCZZJFI-MRVPVSSYSA-N 463.420 5.453 50 10 JKGE Cc1cc(Cl)c(Br)cc1[C@H](Br)c1cscc1Br 2023703592 BNIUQDUQFDSBDY-LBPRGKRZSA-N 459.428 6.719 50 10 JKGE BrCc1c(Br)cccc1N1CC[C@@H]2CN(Cc3ccccc3)C[C@@H]2C1 2049666965 JGVLFXMPOFRVDH-QZTJIDSGSA-N 464.245 5.302 50 10 JKGE Brc1cc([C@H](Br)[C@@H]2CCCCC23CCC3)sc1Br 2053372931 ZRTDFYDYEKPPLL-JOYOIKCWSA-N 457.069 7.070 50 10 JKGE Cl[C@H](C[C@@H]1CCC[C@@H]2C[C@@H]12)c1c(Br)sc(Br)c1Br 2057346067 MANJNMNHAPHPQW-BZNPZCIMSA-N 477.487 7.142 50 10 JKGE CCn1cc(Br)c([C@H](Cl)c2c(Br)sc(Br)c2Cl)n1 2060856474 RXLPDMMXGBKKCD-ZCFIWIBFSA-N 497.865 6.234 50 10 JKGE Fc1ccc(C[C@H](Br)c2ccc(Br)cc2I)cc1 2086145123 IYAYWUCTUJLAJQ-ZDUSSCGKSA-N 483.944 5.872 50 10 JKGE CCCc1nc(Br)c(Br)n1CC1(CBr)CCCCC1 2087649008 KZHXHELQJCZCLG-UHFFFAOYSA-N 457.048 5.706 50 10 JKGE COc1cc(Br)c([C@@H](Br)c2sncc2Br)cc1OC 2088927431 MPDLKJXASDGJGV-LLVKDONJSA-N 471.996 5.170 50 10 JKGE Cl[C@@H](c1cc(Br)c2c(c1)CCO2)c1scc(Br)c1Br 2090467102 KWPOEFSWXYWQAP-NSHDSACASA-N 487.438 6.299 50 10 JKGE CN(c1ccc(Br)cc1CBr)[C@H]1C[C@@H]2CC[C@H](C1)N2Cc1ccccc1 2094899688 DFVITTKEOSZUQN-WKCHPHFGSA-N 478.272 5.976 50 10 JKGE COc1cc([C@H](Br)c2cscc2OCc2ccccc2)c(OC)cc1Br 2100090904 DQUWAOPHMYBNIU-FQEVSTJZSA-N 498.236 6.591 50 10 JKGE CN(C(=O)c1scc(Br)c1Br)C1(CBr)CC(C)(C)C1 2108302872 DHEHNGYNNMOMIU-UHFFFAOYSA-N 474.056 5.299 50 10 JKGE C[C@@H]1CCCN(Cc2cc(Br)ccc2Br)[C@H]1CCBr 2118520317 SSSYVXIRGADUCN-ABAIWWIYSA-N 454.044 5.597 50 10 JKGE C[C@@H](Br)C[C@H]1CCCCN1Cc1cc(Br)ccc1Br 2118535543 VNGQXYVYKKZCDC-BXUZGUMPSA-N 454.044 5.740 50 10 JKGE FCCOc1ccccc1[C@H](Br)c1cc(Br)sc1Br 2132980294 AJFZJTLMQVLKFB-LBPRGKRZSA-N 472.999 6.106 50 10 JKGE Cc1sc(Br)c([C@H](Br)c2c(F)cc(Br)cc2F)c1C 2138269649 WLFTVHYLTBNIRK-LBPRGKRZSA-N 474.990 6.652 50 10 JKGE C[C@H](Cl)c1nc2cc(I)ccc2n1[C@H]1CCOC[C@@H]1OCc1ccccc1 2146523627 PPOVZIPHUIBOJC-GKCIPKSASA-N 496.776 5.488 50 10 JKGE BrC[C@H]1CN(Cc2c(Br)cccc2Br)CCC12CCC2 2151655854 MPMSELMNMXODBI-LBPRGKRZSA-N 466.055 5.599 50 10 JKGE ClCCc1nc2cc(I)ccc2n1[C@@H]1CCCN(Cc2ccccc2)CC1 2160559011 LCYQQURFWGBENB-LJQANCHMSA-N 493.820 5.649 50 10 JKGE CC(C)(C)[C@H]1C[C@@H](CBr)CN(Cc2ccc(I)cc2)C1 2165008924 PUEMXDPPMJUYPM-GJZGRUSLSA-N 450.202 5.170 50 10 JKGE Cn1nc([C@H](Br)c2cc3c(cc2Br)OCC3)c(Br)c1Cl 2167042393 OFMCLLFKYVPQCZ-SNVBAGLBSA-N 485.401 5.018 50 10 JKGE Cl[C@@H]1[C@H](CNc2ncc(I)cc2Br)CCCC12CCC2 2189906705 KJABIPXEEFQJKY-GXFFZTMASA-N 469.592 5.438 50 10 JKGE Cc1c(Br)ccc([C@H](Br)c2ccc(C(F)F)cc2)c1Br 2203701152 FJPBXXGMPMZWTP-CQSZACIVSA-N 468.961 6.942 50 10 JKGE COc1cc(F)c(Cl)cc1[C@H](Br)c1ccc(F)cc1I 2207363327 OWKGDHATRMWINA-CQSZACIVSA-N 473.482 5.716 50 10 JKGE CC[C@@H]1C[C@H](Cl)C[C@@H](c2sc(Br)c(Br)c2Br)C1 2216422688 WZXAAJAUXZCGTH-FXQIFTODSA-N 465.476 6.937 50 10 JKGE CN(Cc1c(Br)sc2ccccc12)C[C@@H](Br)COCc1ccccc1 2217924277 QMJKOJCKJPHTBC-MRXNPFEDSA-N 483.269 6.076 50 10 JKGE Cc1sc(Br)c(C)c1[C@H](Br)c1ccc(Br)cc1F 2218799447 FPEVDJGNYCAEOQ-GFCCVEGCSA-N 457.000 6.513 50 10 JKGE Cc1sc(Br)c(C)c1[C@H](Br)c1ccc(Br)cc1Cl 2218801044 QGRNRXYQPRDHHK-GFCCVEGCSA-N 473.455 7.028 50 10 JKGE C[C@]1(C(F)F)C[C@@H]1[C@@H](Br)c1c(Br)cc(Cl)c(Cl)c1Cl 2224307330 MJWDTIMRRLJQBF-ATHITMAHSA-N 457.367 7.137 50 10 JKGE CC1([C@H](Br)c2c(Br)cc(Cl)c(Cl)c2Cl)CS(=O)(=O)C1 2224321819 MUVJXSPDDLSPNW-SNVBAGLBSA-N 471.425 5.280 50 10 JKGE CCn1cc([C@@H](Br)Cc2ccc(Br)cc2Cl)nc1Br 2229147517 LEJXSUAEGYOENO-JTQLQIEISA-N 471.418 5.760 50 10 JKGE Cc1ccc(I)c([C@H](Br)c2ccc(F)c(Cl)c2F)c1 2232224543 XZTSMFHSKBYWNT-GFCCVEGCSA-N 457.483 6.016 50 10 JKGE Cc1cc(Br)c([C@@H](Cl)c2cc(Cl)ccc2Br)c(C)c1Cl 2232530726 UPQFOTZZAHWYMH-HNNXBMFYSA-N 457.420 7.463 50 10 JKGE Fc1cc(Br)c(F)c(Br)c1[C@H](Br)C1C2(CC2)C12CC2 2272740168 PMAJSYWBWNYVFG-JTQLQIEISA-N 456.950 6.116 50 10 JKGE COC[C@]1(C)C[C@H]1[C@@H](Br)c1c(F)cc(Br)c(F)c1Br 2272844589 PQVUYODFIPYFIN-ULTOFOOGSA-N 462.954 5.598 50 10 JKGE Fc1cc(Br)ccc1CO[C@@H](CI)c1ccccc1F 2281374001 UHSPTIHKFSNYGI-HNNXBMFYSA-N 453.064 5.420 50 10 JKGE Cc1cccc([C@@H](Br)c2c(F)cc(Br)c(F)c2Br)c1F 2288374733 WVBAAPWHSYFIHT-LLVKDONJSA-N 472.924 6.422 50 10 JKGE Cc1ccc(C[C@@H]2SC(=C(C#N)C(=O)Nc3cccc(Cl)c3)N(c3ccccc3)C2=O)cc1 2296507218 YSRYQYXAAXMSHR-QHCPKHFHSA-N 473.985 5.713 50 10 JKGE CCc1ccccc1N=c1cc(-c2cccnc2)nc(C2CCN(C(=O)[C@@H](Cl)C(C)C)CC2)[nH]1 2296578620 ZGVSHZMBEWESDQ-VWLOTQADSA-N 478.040 5.236 50 10 JKGE CCOC(=O)c1c(NC=C(C#N)c2nc(-c3ccc(Cl)cc3)cs2)sc(C(=O)OC)c1C 2296790006 ITYOCNOLGUTCQK-UHFFFAOYSA-N 487.990 5.773 50 10 JKGE Cc1cc([N+](=O)[O-])ccc1-c1ccc(C=C(C#N)C(=O)Nc2ccc(Cl)cc2[N+](=O)[O-])o1 2297551558 ROAOVDRZOICRPD-UHFFFAOYSA-N 452.810 5.271 50 10 JKGE N#CC(=Cc1ccc(OCc2ccc(Cl)cc2Cl)c(Br)c1)C(=O)N1CCOCC1 2297562010 ZYEWBGYHLFEERS-UHFFFAOYSA-N 496.188 5.101 50 10 JKGE O=C(NN=Cc1ccc(-c2ccc([N+](=O)[O-])cc2Br)o1)c1ccc(Cl)c(Cl)c1 2297709289 DOIRUQZCLQCNLM-UHFFFAOYSA-N 483.105 5.688 50 10 JKGE CO[C@@H]1CC[C@H]([C@@H](Br)c2ccc(OCc3ccccc3)cc2Br)C1 2299493668 HCWQOGCHOZOVEY-RZQQEMMASA-N 454.202 6.279 50 10 JKGE Brc1cc(OCc2ccccc2)ccc1[C@H](Br)[C@@H]1CCC12CCC2 2299495875 RWYYQYNXPQPETA-ICSRJNTNSA-N 450.214 7.044 50 10 JKGE Brc1cc(OCc2ccccc2)ccc1[C@H](Br)[C@H]1C[C@H]2CC[C@H]1C2 2299496435 NRXNFNYNFMIBER-UGJIMAENSA-N 450.214 6.900 50 10 JKGE Fc1cccc(Cl)c1[C@H](Br)c1sc(Cl)cc1I 2300953241 HBXZZSDCILASNC-JTQLQIEISA-N 465.940 6.283 50 10 JKGE CN(C)C(=O)C(C#N)=Cc1cc(Br)ccc1OCc1ccc(Cl)cc1Cl 2313567164 CNSCMMFBXOORIN-UHFFFAOYSA-N 454.151 5.330 50 10 JKGE COc1cc(C=C(C#N)C(=O)Nc2cccc(C(F)(F)F)c2)ccc1OCc1ccc(F)cc1 2313670649 MWMBDXGKCDYOMO-UHFFFAOYSA-N 470.422 5.978 50 10 JKGE Cc1oc(C)c([C@@H](Br)c2ccc(OCc3ccccc3)cc2Br)c1C 2314448400 HIYQTANZRPCHCI-NRFANRHFSA-N 464.197 7.031 50 10 JKGE CCOc1ccc(N2C(=O)[C@@H](Cc3ccccc3C)SC2=C(C#N)C(=O)Nc2cccc(C)c2)cc1 2314592065 LDJGULRANDGVRN-AREMUKBSSA-N 497.620 5.767 50 10 JKGE N#CC1=C(N)Oc2cc(OC(=O)C=Cc3ccccc3Cl)ccc2[C@H]1c1ccc([N+](=O)[O-])cc1 2314634052 GPNZVKRGCQUFTB-XMMPIXPASA-N 473.872 5.085 50 10 JKGE CCCOc1ccc(C=C(C#N)C(=O)Nc2sc3c(c2C(=O)OCC)[C@H](C)CCC3)cc1 2314754938 JEHJAZAGSZTGHK-MRXNPFEDSA-N 452.576 5.699 50 10 JKGE COc1cc(C=C(C#N)C(=O)NC(C)C)ccc1OC(=O)c1sc2ccccc2c1Cl 2314792538 QRNLZZJALWMJAN-UHFFFAOYSA-N 454.935 5.214 50 10 JKGE CC[C@H](NC(=O)C(C#N)=CNc1cc(OC)c(Cl)cc1OC)c1ccc2c(c1)CCCC2 2325092711 WNJOIQOERCPSDP-NRFANRHFSA-N 453.970 5.323 50 10 JKGE Cc1cc(I)ccc1NC(=O)C(C#N)=CNc1c(Cl)cccc1Cl 2325409407 LJYNXNHPTAGFJT-UHFFFAOYSA-N 472.113 5.365 50 10 JKGE CC(C)(C)c1ccc(OCCCC(O)=C(C#N)c2nc(-c3ccc4ccccc4c3)cs2)cc1 2331238637 GYTLAYDSZNLSFE-UHFFFAOYSA-N 468.622 7.913 50 10 JKGE CCCCc1ccc(N2C[C@@H](C(O)=C(C#N)c3nc(-c4ccc(F)cc4F)cs3)CC2=O)cc1 2331286527 FEGLYENFHDLPCS-KRWDZBQOSA-N 479.552 6.277 50 10 JKGE CCCOc1ccc(-c2csc(C(C#N)=C(O)CCCOc3ccc(C)cc3)n2)cc1OCCC 2331293464 OJXGCENQJIDXJG-UHFFFAOYSA-N 492.641 7.348 50 10 JKGE CC(C)(C)c1ccc(-c2csc(C(C#N)=C(O)CN3C(=O)COc4ccc(Cl)cc43)n2)cc1 2331332889 YPWNMAPYXZIZLP-UHFFFAOYSA-N 479.989 5.979 50 10 JKGE COc1c(Cl)cc(-c2csc(C(C#N)=C(O)CCCOc3ccc(Cl)cc3)n2)cc1Cl 2331397476 HEYXLYDFOFAYER-UHFFFAOYSA-N 495.815 7.431 50 10 JKGE COc1cc(Cl)c(C)cc1-c1csc(C(C#N)=Cc2ccc(OC(=O)c3ccccc3)cc2)n1 2331474816 MFNHCRJUDQOUGQ-UHFFFAOYSA-N 486.980 7.064 50 10 JKGE COc1cc(C)c(-c2csc(C(C#N)=Cc3ccc(OCc4ccc(C)cc4)c(OC)c3)n2)cc1C 2331485796 ZWWWCFCGTOIKRU-UHFFFAOYSA-N 496.632 7.396 50 10 JKGE Fc1cc(Cl)c(Br)c(Cl)c1[C@H](Br)c1cccc(Br)c1 2335288773 IRSJCHLDLLZLMV-LLVKDONJSA-N 491.807 7.142 50 10 JKGE C[C@@H]1CC[C@](C)([C@@H](Br)c2cc(Br)ccc2OCc2ccccc2)C1(C)C 2336050678 MFBSPRJBQNZRLL-XORNHQRDSA-N 480.284 7.927 50 10 JKGE Brc1ccc(OCc2ccccc2)c([C@@H](Br)c2cccc(C3CC3)c2)c1 2336054646 TYNFVSQNDINCPE-QHCPKHFHSA-N 472.220 7.390 50 10 JKGE COC1CC2(C1)CC([C@@H](Br)c1ccc(OCc3ccccc3)cc1Br)C2 2336058139 YDSQYZVBQSOWJB-FREUEGFCSA-N 480.240 6.669 50 10 JKGE CC1CC(CC[C@@H](Br)c2c(Cl)cc(Br)c(F)c2Br)C1 2337096947 JNNJIGQUZUGBOW-AMDVSUOASA-N 477.437 7.266 50 10 JKGE CCCc1sc(Br)cc1[C@H](Cl)c1cccc(Br)c1Br 2338028544 WXKYXFUVWITYBH-CQSZACIVSA-N 487.482 7.316 50 10 JKGE COc1c(Br)cc(C)c([C@H](Br)[C@@H]2OCC[C@@H]2C)c1Br 2339651794 SJRIBKUAPRKXKQ-LCHGKGQCSA-N 457.000 5.390 50 10 JKGE Cc1cc(Br)c(F)c(Br)c1[C@H](Br)[C@@H]1C[C@H](C)O[C@H]1C 2339652183 WWKKGHUIPNESMQ-APOZVJGGSA-N 458.991 5.909 50 10 JKGE COc1c(Br)cc(C)c([C@H](Cl)c2sncc2Br)c1Br 2339684874 PLUHUUPVENSYBZ-JTQLQIEISA-N 490.442 6.076 50 10 JKGE Cc1cc(Br)c(F)c(Br)c1[C@H](Br)C[C@@H]1CO[C@H](C)C1 2339686176 KXAIWJKGZGMLGE-OPRDCNLKSA-N 458.991 5.910 50 10 JKGE C[C@H]1CC2CC([C@@H](Br)Cc3cc(Br)cc(Br)c3)(C2)O1 2342245916 OPBGKQJAWHQNPX-WRVGAQGFSA-N 453.012 5.475 50 10 JKGE Cc1cc(Br)c(C(C)C)cc1[C@H](Br)c1cscc1OCc1ccccc1 2352804326 KIOUAAXOIMILCG-QFIPXVFZSA-N 494.292 8.006 50 10 JKGE CO[C@]1(C(F)(F)F)C[C@H]([C@@H](Cl)c2cc(Br)ccc2OCc2ccccc2)C1 2361172886 RABGAFOJZTVLHX-ZMYBRWDISA-N 463.721 6.666 50 10 JKGE Clc1ccc(CN2CC3(CCCC3)C[C@H]2CBr)cc1I 2362379914 PAHJARRDEXOJFW-ZDUSSCGKSA-N 468.604 5.474 50 10 JKGE Cc1nc(Br)c([C@@H](Br)c2cc(Cl)c(Cl)c(Cl)c2Cl)n1C 2362441271 IXBKWBOCHGGJHL-ZETCQYMHSA-N 481.830 6.589 50 10 JKGE Clc1ccc(I)cc1CN1[C@H](CBr)C[C@@H]2CCCC[C@H]21 2380513121 RIRFWYUZEAARKE-HZUKXOBISA-N 468.604 5.473 50 10 JKGE N#C/C(=C\c1ccc2c(c1)OCO2)C(=O)Nc1cccc(C(=O)Nc2cccc(C(F)(F)F)c2)c1 3222587 OSBRCPXDSIKZQB-RQZCQDPDSA-N 479.414 5.232 50 10 JKGE CCc1ccc([C@@H]2C(C#N)=C(N)N(c3ccc(Br)cc3)C3=C2C(=O)CC(C)(C)C3)s1 6284044 LDSYITPFFAAJFZ-NRFANRHFSA-N 482.447 6.014 50 10 JKGE CC(C)Oc1ccc(Br)cc1C(=O)NNC(=O)c1sc2ccccc2c1Cl 14667974 VSWKRVMFYFTJAV-UHFFFAOYSA-N 467.772 5.179 50 10 JKGE CC[C@H](Oc1ccc(-c2ccccc2)cc1)C(=O)NNC(=O)C(c1ccccc1)c1ccccc1 14768488 MGEPOTZLMOUNHO-MHZLTWQESA-N 464.565 5.491 50 10 JKGE Cc1ccc(N2C(=O)[C@@H](Cc3ccccc3C)S/C2=C(\C#N)C(=O)NCCc2ccccc2)cc1 16739728 GMJHNVDUONCVFY-VOUPIIBTSA-N 481.621 5.089 50 10 JKGE COc1cc(/C=C(/C#N)c2ccccc2OC)ccc1OC(=O)[C@@H](C)Oc1ccc(Cl)cc1Cl 31901997 KIGRZOPDZVIHGE-UWCCDQBKSA-N 498.362 6.448 50 10 JKGE Cc1nn(-c2ccccc2)c(Cl)c1/C=C(/C#N)c1nc(O)c2cc(Br)ccc2n1 33369942 XASNEBVOMQSNGO-LCYFTJDESA-N 466.726 5.310 50 10 JKGE CCOC(=O)/C(C#N)=C\c1c(C)cc(C)c(Cc2c(C)cc(C)c(/C=C(/C#N)C(=O)OCC)c2C)c1C 33387308 QCXJSZDTYSEAGZ-YQTKFLBZSA-N 498.623 6.068 50 10 JKGE N#C/C(=C(/C=C(/CC(=O)c1ccccc1)c1ccccc1)c1ccccc1)c1ccc([N+](=O)[O-])cc1 34257379 GEWGYCJSARAGGV-FXGFORCWSA-N 470.528 7.386 50 10 JKGE Cc1ccc(C(C)C)c(Oc2nc3ccccn3c(=O)c2/C=C(/C#N)C(=O)NC2CCCCC2)c1 35549794 PABBESQCRCKBBT-SILNSSARSA-N 470.573 5.275 50 10 JKGE CCOc1ccccc1[C@H]1C(C#N)=C(N)Oc2cc(OC(=O)c3ccccc3Br)ccc21 38650443 VPEVBMOQASXPKT-HSZRJFAPSA-N 491.341 5.285 50 10 JKGE CC(C)(C)c1ccc(C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@H]3c2ccc(Cl)cc2)cc1 38651284 PSTHJTDGRZGYEQ-DEOSSOPVSA-N 458.945 6.075 50 10 JKGE C=CCOc1ccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4cccc(OCCC)c4)ccc32)cc1 38658214 KNTJXRGMCZTIOE-HHHXNRCGSA-N 482.536 5.478 50 10 JKGE CCCCOc1ccccc1[C@@H]1C(C#N)=C(N)Oc2cc(OC(=O)c3cccc4ccccc34)ccc21 38682962 SEDZPMBHKWUYSA-LJAQVGFWSA-N 490.559 6.456 50 10 JKGE Cc1c(C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@@H]3c2cccc(Cl)c2)oc2ccc(F)cc12 38687716 QYPZDXRZUCHCHK-HSZRJFAPSA-N 474.875 5.971 50 10 JKGE CCN(c1ncnc(NNC(=O)c2ccc(Cl)cc2Cl)c1N)c1cccc2ccccc12 40702066 SHPVKAQNLHYSMZ-UHFFFAOYSA-N 467.360 5.434 50 10 JKGE Cc1cc(C)c2c(CC(=O)N/N=C3\CCCc4oc(C(=O)N5CCCC[C@H]5C)c(C)c43)coc2c1 40826825 JZLWGXYLHQCIKO-QFZBWKCHSA-N 475.589 5.365 50 10 JKGE O=C(CSc1nc(-c2ccccc2)cs1)N/N=C/c1cccc(OCc2ccccc2)c1 40924376 SJSFIKZRHBFXRF-CVKSISIWSA-N 459.596 5.632 50 10 JKGE COc1ccc(OC)c(/C=N/NC(=O)c2ccc(OCc3ccc(Cl)cc3Cl)cc2)c1 48573824 OJJOOXHILXJOKW-LGJNPRDNSA-N 459.329 5.354 50 10 JKGE COc1cc(/C=N/NC(=O)c2cc3ccccc3o2)cc(Br)c1OCc1ccccc1 59304102 ISTBWNASDXGPPY-VULFUBBASA-N 479.330 5.547 50 10 JKGE COc1ccc(-c2nn(Cc3ccccc3)cc2/C=C(/C#N)S(=O)(=O)c2ccc(Cl)cc2)cc1 96438445 BECGHTWPEJOZHX-MYYYXRDXSA-N 489.984 5.599 50 10 JKGE Cc1ccc(CNC(=O)/C(C#N)=C\c2ccccc2OCc2cccc(C(F)(F)F)c2)cc1 96438723 FLWYZRVASNCHCL-HMAPJEAMSA-N 450.460 5.816 50 10 JKGE C=CCNC(=O)/C(C#N)=C1\S[C@H](Cc2ccccc2Cl)C(=O)N1c1ccc(C(C)C)cc1 101241549 ZTMWXHQUYZJNAB-IVYNLYIOSA-N 466.006 5.192 50 10 JKGE COc1cc2c(cc1N/C=C(/C#N)c1nc(-c3ccc(Cl)c(Cl)c3)cs1)oc1ccccc12 102420523 MEXKJGDPKYGHRB-QINSGFPZSA-N 492.387 8.001 50 10 JKGE Cc1ccc(S(=O)(=O)/C(C#N)=C\c2c(Oc3cc(C)ccc3C(C)C)nc3ccccn3c2=O)cc1 102850378 AFDUUBITEFWEAA-JWGURIENSA-N 499.592 5.565 50 10 JKGE Fc1ccc(Br)c([C@H](Cl)c2cc(Br)sc2Br)c1 109825163 QGYZJIPRTJTFBH-JTQLQIEISA-N 463.391 6.503 50 10 JKGE FC(F)(F)c1cccc([C@@H](Br)c2cc(Br)ccc2Br)c1 109844605 MYMDEMMWZXLMHV-CYBMUJFWSA-N 472.924 6.715 50 10 JKGE BrCC(CBr)(Cc1ccccc1)Cc1cccc(Br)c1 118875715 VIPJNMLBOREDLD-UHFFFAOYSA-N 461.035 6.011 50 10 JKGE Cl[C@H](c1csc(I)c1)c1ccc(Br)c2ccccc12 124448152 VVFQXESBZWGOCW-OAHLLOKOSA-N 463.565 6.597 50 10 JKGE COc1c(C)cc(Br)c(C)c1[C@@H](Br)c1ccc(Br)c(Cl)c1 125736818 USVRRZMWMGVKKB-HNNXBMFYSA-N 497.452 6.975 50 10 JKGE CCOc1cc(/C=N\NC(=O)c2cccc(N)c2)ccc1OCc1ccc(Cl)cc1Cl 169894107 DHEOBQABOMIBDS-WKIKZPBSSA-N 458.345 5.317 50 10 JKGE CCCOc1ccccc1/C=C(/C#N)C(=O)Nc1sc2c(c1C(=O)OC)CC[C@H](C(C)(C)C)C2 206987479 WMDPORAZSAVONI-BSKAQADGSA-N 480.630 6.020 50 10 JKGE COc1cccc(COc2c(Br)cc(CBr)cc2Br)n1 234989727 AOSWABBSDYCUCZ-UHFFFAOYSA-N 465.967 5.089 50 10 JKGE COc1ccc(Cl)cc1C=NNC(=O)Cc1csc(Nc2cccc(C(F)(F)F)c2)n1 254507906 RGRGYMQBQHOYDF-UHFFFAOYSA-N 468.888 5.260 50 10 JKGE O=C(CSc1nnc(SCc2ccccc2)s1)NN=Cc1cccc(Oc2ccccc2)c1 254853754 JHEVGSKVZRXDPR-UHFFFAOYSA-N 492.651 5.865 50 10 JKGE Cc1cc(C)c([C@H](Br)c2cnn(C)c2Br)c(C)c1Br 379143788 BWVIKKMJELLJHK-CYBMUJFWSA-N 451.000 5.355 50 10 JKGE C[C@H]([C@H]1CCN(Cc2ccccc2)C1)n1c(CCl)nc2cc(F)c(Br)cc21 380777068 SXGHXCYPTNAPCG-ZBFHGGJFSA-N 450.783 5.760 50 10 JKGE C[C@H](Cl)c1nc2cc(I)ccc2n1C[C@H]1CCN(Cc2ccccc2)C1 388337610 VMHGWBSJJQIVGS-RDJZCZTQSA-N 479.793 5.463 50 10 JKGE Fc1cc(F)c(F)c([C@H](Br)c2ccc(I)c(Cl)c2)c1F 395754309 HHGBEQSFYVGTGQ-LLVKDONJSA-N 479.436 5.985 50 10 JKGE C[C@@H](Cl)c1nc2cc(I)ccc2n1[C@@]1(C)CCN(Cc2ccccc2)C1 405986386 SQXUVCQGEASDGK-VFNWGFHPSA-N 479.793 5.562 50 10 JKGE CC(C)(C)[Si](C)(C)OCc1ccccc1[C@H]1CCCCN(S(=O)(=O)c2ccccc2)C1 616601277 GVTLDIVHQOCVAN-NRFANRHFSA-N 459.728 6.167 50 10 JKGE CC(C)(C)[Si](C)(C)OCCN1CCCC[C@H]1c1ccccc1CO[Si](C)(C)C(C)(C)C 616616754 XAUOSGHUULVDPY-DEOSSOPVSA-N 463.855 7.757 50 10 JKGE COCc1cc(Br)c([C@@H](Br)Cc2ccccc2Br)s1 688094649 ZCGPHERCPNANFL-LBPRGKRZSA-N 469.036 6.098 50 10 JKGE FC(F)(F)c1csc([C@@H](Br)c2cc3cscc3s2)c1Br 694377101 BJXZDGPYLRUWPM-JTQLQIEISA-N 462.175 7.290 50 10 JKGE ClCc1c(Br)cccc1OCc1cc(Cl)ccc1I 706629798 ZFXJSWMTKXSKBS-UHFFFAOYSA-N 471.947 6.025 50 10 JKGE Cc1ccc(NC(=O)C(=O)NN=Cc2ccc(OCc3ccc(Cl)cc3Cl)cc2)cc1C 1084001886 YJVLKVWONOYFHT-UHFFFAOYSA-N 470.356 5.278 50 10 JKGE Cc1ccc(-n2c(C)c(Br)c(C=NNC(=O)[C@@H](C)SCc3ccccc3)c2C)cc1 1084416711 ZPCFPQKOZVZJMC-LJQANCHMSA-N 484.463 5.937 50 10 JKGE COc1cc(/C=C(\C#N)C(=O)Nc2ccc(C)cc2C)ccc1OCc1cccc(C(=O)O)c1 1084438357 CNZLOVPNUGBUAP-WSDLNYQXSA-N 456.498 5.135 50 10 JKGE C[C@H](SCc1ccccc1)C(=O)NN=C1C(=O)N(Cc2c(Cl)cccc2Cl)c2ccccc21 1084452255 GMSYGQOZRFEFPD-INIZCTEOSA-N 498.435 5.682 50 10 JKGE CCOc1cc(C=NNC(=O)c2cc(OC)cc(OC)c2)ccc1OCc1ccc(Cl)cc1 1084646267 LNIHJJKUTUEEME-UHFFFAOYSA-N 468.937 5.099 50 10 JKGE COc1ccccc1C(=O)NN=C1CCCc2oc(C(=O)Oc3ccc4ccccc4c3)c(C)c21 1772746281 UEZFEOJRJXPEHB-UHFFFAOYSA-N 468.509 5.439 50 10 JKGE COc1ccc(-c2nn(Cc3cc(C)ccc3C)c3c2[C@@H](c2sccc2C)C(C#N)=C(N)O3)cc1 1865699209 NNVKNUCQZFQFTG-QHCPKHFHSA-N 482.609 5.812 50 10 JKGE CCc1nn(-c2ccccc2)c2c1[C@@H](c1cccc(OC)c1OCc1cccc(C)c1)C(C#N)=C(N)O2 1865705673 BPJOVNCJTSZNLL-SANMLTNESA-N 492.579 5.549 50 10 JKGE COC(=O)c1ccc([C@H]2C(C#N)=C(N)Oc3c2c(-c2ccccc2)nn3Cc2ccccc2Cl)cc1 1865708893 INXVDFNXBOPCLY-QHCPKHFHSA-N 496.954 5.257 50 10 JKGE N#CC1=C(N)Oc2c(c(C(F)(F)F)nn2Cc2ccc(F)cc2)[C@@H]1c1ccc(C(F)(F)F)cc1 1865711399 XNOGUVPAHVFWBF-MRXNPFEDSA-N 482.359 5.326 50 10 JKGE CCCC[C@H](NC(=O)[C@H](c1ccc(OC)cc1)C(C)C)C(=O)Nc1ccc(SC#N)cc1 1866979572 KAQUNYZLGIFQAT-GOTSBHOMSA-N 453.608 5.322 50 10 JKGE CCc1nc(Nc2ccc(SC#N)cc2)cc(N2CCc3cc(C)ccc3[C@@H]2CC(C)C)n1 1868277718 FZRVMUZWSDXLBG-DEOSSOPVSA-N 457.647 6.814 50 10 JKGE CCc1ccc(-c2csc(/C(C#N)=C(\O)[C@@H]([C@H](C)CC)N3C(=O)c4ccccc4C3=O)n2)cc1 1872744000 CRNIYNCGQUKALY-SFEBSOCUSA-N 471.582 5.876 50 10 JKGE CCCCc1ccc(-c2csc(/C(C#N)=C(O)/C=C/c3cc(OC)c(OC)c(OC)c3)n2)cc1 1872744994 SIVZHDFHURZUSZ-UKCBQYOFSA-N 476.598 6.685 50 10 JKGE CC[C@H](C)[C@@H](/C(O)=C(\C#N)c1nc(-c2ccc(C)cc2C)cs1)N1C(=O)c2ccccc2C1=O 1872748570 CQWMIBFMSWFMDN-RRCCURSSSA-N 471.582 5.931 50 10 JKGE COc1ccc(C(C)(C)C)cc1-c1csc(/C(C#N)=C(\O)[C@@H](C)Oc2ccccc2C(C)C)n1 1872752019 ZSCNPWNCHAMQNI-PPFHAMGKSA-N 476.642 7.500 50 10 JKGE CCCCCCOc1ccc(/C(O)=C(\C#N)c2nc(-c3cc(C)cc(C)c3OC)cs2)cc1 1872754665 CZOFAFFYCVRBPI-BZZOAKBMSA-N 462.615 7.345 50 10 JKGE COc1ccc(-c2csc(/C(C#N)=C(\O)[C@@H]3CC(=O)N([C@@H](C)c4ccccc4)C3)n2)c(OC)c1 1872755305 HQBYIROUSBKQDD-LPEWBGALSA-N 475.570 5.230 50 10 JKGE Cc1ccc(C(C)(C)C)cc1-c1csc(/C(C#N)=C(\O)[C@H]2CC(=O)N([C@H](C)c3ccccc3)C2)n1 1872755913 LPROOTFOEZQQEM-LFNCXVDFSA-N 485.653 6.818 50 10 JKGE CCCCOc1ccc(/C(O)=C(\C#N)c2nc(-c3c(C)cc(C)cc3C)cs2)cc1OCC 1872755988 PCUDQNGQSAJMRB-QLYXXIJNSA-N 462.615 7.263 50 10 JKGE COc1cc(OC)c(-c2csc(/C(C#N)=C(O)/C=C/c3ccccc3Cl)n2)cc1Cl 1872756014 AJAJAVWSIMPSGK-RIRNTOMFSA-N 459.354 6.640 50 10 JKGE COC(=O)c1ccc(/C=C/C(O)=C(\C#N)c2nc(-c3cc(Cl)cc(C)c3OC)cs2)cc1 1872757060 OZXHYCVLVWJHTO-YVNTYLKSSA-N 466.946 6.073 50 10 JKGE Cc1ccccc1COc1ccc(/C=C(\C#N)c2nc(-c3ccc(Cl)cc3Cl)cs2)cc1 1872781331 AEODKKWJPUCRGZ-UDWIEESQSA-N 477.416 8.069 50 10 JKGE CCCCCCOc1ccc(/C=C(\C#N)c2nc(-c3ccc(Cl)c(Cl)c3)cs2)cc1OC 1872790492 MFDDNVVNWUOMGI-XDHOZWIPSA-N 487.452 8.149 50 10 JKGE CCCN(CCC)C(=O)COc1ccc(/C=C(\C#N)c2nc(-c3ccc(C)cc3)cs2)cc1OC 1872790745 CDVLBEBCXJKJSA-HZHRSRAPSA-N 489.641 6.219 50 10 JKGE Brc1ccc(OCc2ccccc2)c([C@H](Br)[C@H]2C[C@@H]2Br)c1 1886850156 ZLBQSZDRJJFWEJ-JLJPHGGASA-N 475.018 6.248 50 10 JKGE C[C@H]1[C@H](Cc2ccc(I)c(Br)c2)CC[C@H]1Br 1904330490 VRRXIOBIACPPNT-INTQDDNPSA-N 457.975 5.406 50 10 JKGE C[C@@H](CCBr)N(Cc1ccccc1)C(=O)c1cc(C(F)(F)F)ccc1Br 1915091472 XUVBEVAMAXMPMH-ZDUSSCGKSA-N 493.161 6.284 50 10 JKGE CC(C)(CBr)N(Cc1ccccc1)C(=O)c1ccc(Br)cc1C(F)(F)F 1915765525 LKKFVQKRMODRTQ-UHFFFAOYSA-N 493.161 6.284 50 10 JKGE BrCC1(N(Cc2ccccc2)Cc2ccc(I)cc2)CCC1 1915789666 XXOZXWGQMIHRNU-UHFFFAOYSA-N 470.192 5.611 50 10 JKGE C[C@@H](c1ccncc1Br)[C@H](Br)c1cccc(OCc2ccccc2)c1 1924042959 GQCNSMQAPJXMJX-BTYIYWSLSA-N 461.197 6.663 50 10 JKGE C[C@@H]1CCO[C@H]1[C@H](Br)c1c(Br)sc(Br)c1Br 1924579251 CHPDIRIKGSZFNO-UEYSZJFGSA-N 497.872 5.897 50 10 JKGE CC(C)(C[C@@H](Cl)c1c(Br)sc(Br)c1Br)C1CC1 1924605857 XZBXRZTXOIJXGP-SSDOTTSWSA-N 465.476 7.142 50 10 JKGE Clc1sc(Br)c(Cl)c1[C@@H](Br)c1csnc1Br 1925565886 IELAWLITMLESQW-BYPYZUCNSA-N 486.863 6.521 50 10 JKGE Cc1sc(Br)cc1[C@@H](Br)c1c(Br)sc(C)c1C 1951014436 JIGFNFJLXGAUCX-LLVKDONJSA-N 459.066 6.744 50 10 JKGE Fc1c(CC[C@@H](Br)COCc2ccccc2)ccc(Cl)c1Br 1957702285 VHXTXJSFEQYBMT-CQSZACIVSA-N 450.573 6.155 50 10 JKGE CC[C@@H](Br)CN(Cc1ccccc1)C(=O)c1ccc(I)c(C)c1 1995255629 FPWIFJPZTHLKBX-QGZVFWFLSA-N 486.191 5.416 50 10 JKGE O=S(=O)(c1cc(CBr)sc1Br)N(Cc1ccccc1)C1CCCC1 2009621211 CFKBTTFEUWNUBY-UHFFFAOYSA-N 493.286 5.539 50 10 JKGE CCN(C[C@](C)(CI)O[C@@H]1CCCCC1(F)F)C(=O)OC(C)(C)C 2020372046 IYPZZRMEJDTOHM-CJNGLKHVSA-N 461.331 5.032 50 10 JKGE Cn1cc([C@@H](Br)c2ccc(Br)cc2Br)c(Br)n1 2024295031 OGTUSDYRZCMKPW-JTQLQIEISA-N 487.815 5.192 50 10 JKGE COc1sc([C@@H](Br)c2cc(F)ccc2Br)cc1Br 2034628214 CQPPVIZNQSYYOM-NSHDSACASA-N 458.972 5.905 50 10 JKGE COc1sc([C@H](Cl)c2ccc(F)cc2I)cc1Br 2034629622 OVFHDAPEZFMKOV-LLVKDONJSA-N 461.521 5.591 50 10 JKGE Cl[C@@H](c1c(Br)sc(Br)c1Br)[C@@H]1[C@H]2CCCCC[C@H]21 2048338744 YXALOONRNQXYQN-OFHVYEONSA-N 477.487 7.142 50 10 JKGE Cc1c(Br)sc([C@H](Br)[C@H]2C[C@@H]3CCC[C@@H]3C2)c1Br 2063508213 HWIPLZSCIVXXGE-DTHBNOIPSA-N 457.069 6.844 50 10 JKGE CC(C)(C)C1([C@@H](Br)c2c(Br)sc(Br)c2Cl)CCC1 2071924552 SGYZYWPNJYBIEY-VIFPVBQESA-N 479.503 7.579 50 10 JKGE ClCc1nc2cc(Br)c(Cl)cc2n1C[C@@H]1CCN(Cc2ccccc2)C1 2103624937 SHWYSMLBKUWZOO-OAHLLOKOSA-N 453.211 5.713 50 10 JKGE BrCc1ccc(N2CC[C@]3(CCCN(Cc4ccccc4)C3)C2)c(Br)c1 2107018730 ZCEWNAAVDQHCBM-QFIPXVFZSA-N 478.272 5.837 50 10 JKGE FC1(F)CCC2(CC1)C[C@@H]2[C@@H](Br)c1sc(Br)cc1Br 2107095450 HWLBFRSBXKWJGF-GMSGAONNSA-N 479.022 6.925 50 10 JKGE Brc1cccc(Br)c1CN1C[C@@H]2CCC[C@H](C1)C2Br 2111479951 RCJMTZIFSAPPJP-YWXMQNBFSA-N 452.028 5.207 50 10 JKGE CC(C)(C)OC(=O)N1CCC[C@](CI)(OC[C@H]2C[C@H]2C2CCCCC2)C1 2135788470 JFTIEIXWEBNROT-LVCYWYKZSA-N 477.427 5.424 50 10 JKGE CCC[C@@H](CC(C)C)[C@@H](Br)c1ccc(Br)c(C)c1Br 2138848180 DVKCBHABEXMINQ-BLLLJJGKSA-N 455.072 7.418 50 10 JKGE Clc1cc(COc2c(Cl)cccc2CBr)ccc1I 2142946544 KIBCKEKEUFNCJX-UHFFFAOYSA-N 471.947 6.072 50 10 JKGE C[C@@H](Br)c1ccccc1NC(=O)c1cccc(Br)c1Br 2148769027 IKAWUVGRAKSGIN-SECBINFHSA-N 461.979 5.920 50 10 JKGE CN(Cc1ccccc1)C1(Cn2c(CCl)nc3cc(Br)c(Cl)cc32)CCC1 2159870480 ZGKDHGSOBKWVFW-UHFFFAOYSA-N 467.238 6.246 50 10 JKGE COc1ccc(Br)cc1CC[C@H](Br)c1cccc(Br)c1 2169799813 UYPDWRAQETYZDL-HNNXBMFYSA-N 463.007 6.289 50 10 JKGE CO[C@@H]1C[C@@H]([C@H](Br)c2cc(Br)c(C)cc2Br)C12CCC2 2190382133 YYYKQJJIXTVQHF-NILFDRSVSA-N 467.039 6.161 50 10 JKGE Br[C@@H](c1cc(I)sn1)c1c2c(cc3c1CCC3)CCC2 2193144104 UKVFFXSZOXCPLO-INIZCTEOSA-N 460.178 5.209 50 10 JKGE Cc1ccc(C(=O)N(Cc2ccccc2)[C@H](CBr)C2CC2)cc1I 2212991341 WLSCQPYSRLIZEH-LJQANCHMSA-N 498.202 5.416 50 10 JKGE CC1(C)CCC[C@@H]([C@@H](Cl)c2c(Br)sc(Br)c2Br)O1 2219703898 VCKRIOPHDHTRJB-IMTBSYHQSA-N 481.475 6.663 50 10 JKGE Cc1ccc([C@@H](Br)c2cc(Br)sc2Br)c(F)c1F 2223464067 NHCYNZFSMAUXCA-SECBINFHSA-N 460.963 6.344 50 10 JKGE Fc1cc(Br)c(Br)cc1[C@H](Br)C1C[C@H]2CC[C@H](C1)C2 2225618155 UZTXEYGYSZTDRS-KOSWAMCASA-N 455.003 6.613 50 10 JKGE C[C@@H](Cl)c1nc2cc(Br)c(Br)cc2n1CC1(Br)CC1 2225695149 CYAMYVJYPXWSCI-SSDOTTSWSA-N 471.418 5.789 50 10 JKGE CCCCCCC[C@H](Br)c1c(Br)cc(C)c(Br)c1C 2227349301 RBZHOKJWGXQLCA-ZDUSSCGKSA-N 455.072 7.625 50 10 JKGE Cc1cc(Br)c([C@H](Br)[C@@H]2[C@H]3CCCC[C@H]32)c(C)c1Br 2227351345 LNODGVCFZVHAHI-CIGZNWKYSA-N 451.040 6.701 50 10 JKGE Cc1c(Br)cccc1[C@H](Br)Cc1ccc(Br)cc1Cl 2229150684 KLGFQQLVHVUYOZ-CQSZACIVSA-N 467.426 6.852 50 10 JKGE C[C@H](Cl)c1nc2ccc(Cl)c(Cl)c2n1C[C@H]1CC1(Br)Br 2233037953 DLXYWKDJFGFHPK-NKWVEPMBSA-N 461.412 6.149 50 10 JKGE FC(F)(F)Oc1ccc(Cl)cc1[C@@H](Br)c1csnc1Br 2239623909 FEMFRYOWODMLGN-SECBINFHSA-N 451.489 5.942 50 10 JKGE Clc1c(Br)sc(Br)c1[C@H](Br)[C@@]12CCC[C@H]1CC2 2251091022 BPIQROOFWXBCJG-ZKQGETEISA-N 463.460 6.943 50 10 JKGE Brc1cc(Br)cc(C[C@@H](Br)c2cc(Br)co2)c1 2252830058 NPOPMEGSRVGZDY-LLVKDONJSA-N 487.811 6.246 50 10 JKGE COC1([C@@H](Br)c2c(C)c(Br)cc(C)c2Br)CC(C)C1 2266350506 OVDDPBLXGFFBIO-MLRNSFOPSA-N 455.028 6.080 50 10 JKGE CC(C)CCC[C@H](C)CCO[C@@]1(CI)CCCN(C(=O)OC(C)(C)C)C1 2269404575 DYYPNJYIHVILJT-GHTZIAJQSA-N 481.459 6.060 50 10 JKGE C[C@H](Br)CN(Cc1ccc(I)c(Cl)c1)CC(C)(C)C 2272519905 IHZVVGDRCBRPSS-NSHDSACASA-N 458.609 5.576 50 10 JKGE CC(C)c1nc([C@H](Br)Cc2cc(Br)cc(Br)c2)cs1 2277953026 MRWQZDMYSDCPQM-GFCCVEGCSA-N 468.052 6.470 50 10 JKGE Fc1ccc(Cl)cc1[C@@H](Br)Cc1cc(Br)cc(Br)c1 2277964122 BXDSROYMYAYCMX-ZDUSSCGKSA-N 471.389 6.683 50 10 JKGE COc1sc([C@@H](Br)c2cc(Br)cc(C(C)C)c2)cc1Br 2280676428 FSLNMXYCBKMLIS-AWEZNQCLSA-N 483.063 6.889 50 10 JKGE Cc1cc(Br)c([C@@H](Cl)c2c(F)cccc2I)c(C)c1Cl 2282897306 RKHMQKCYPKGEQE-OAHLLOKOSA-N 487.965 6.791 50 10 JKGE COc1c([C@@H](Br)c2ccccc2OCc2ccccc2)cc(Br)c(C)c1C 2284522363 HRIXFABWPKNBPB-QFIPXVFZSA-N 490.235 7.138 50 10 JKGE C[C@@H](CCCCCI)NC(=O)c1cc(Br)c(F)cc1Cl 2285959223 UABFNGAAPUPHOL-VIFPVBQESA-N 476.555 5.355 50 10 JKGE C[C@@H]1CCCC[C@]12[C@@H](Br)C[C@H]2Oc1cc(I)ccc1Cl 2288259834 ZJEOZYUVPYACHT-CXOGBFNASA-N 469.588 6.056 50 10 JKGE C[C@@H]1O[C@@]2([C@@H](Br)c3c(F)cc(Br)c(F)c3Br)CC[C@H]1C2 2288489370 SRNJCOHEVKUFAL-HIZWJCBPSA-N 474.965 5.883 50 10 JKGE CC1(C)CCC(C)(C)[C@@H](Cc2ccc(I)c(Cl)c2)[C@H]1Br 2290318840 VOAUBSYIWYXJLM-SWLSCSKDSA-N 469.632 6.713 50 10 JKGE CCc1ccc(NC(=O)C(C#N)=Cc2cn(Cc3ccc(Cl)cc3)nc2-c2ccccc2)cc1 2295347882 MLSDGBWCXNIXGO-UHFFFAOYSA-N 466.972 6.360 50 10 JKGE Cc1ccc(N2C(=O)[C@H](Cc3ccccc3)SC2=C(C#N)C(=O)Nc2ccc(F)cc2)cc1 2296634295 NQVYBMQDCWAUIF-QHCPKHFHSA-N 457.530 5.199 50 10 JKGE CCOC(=O)c1ccc(-c2ccc(C=C(C#N)C(=O)Nc3ccc([N+](=O)[O-])cc3C(F)(F)F)o2)cc1 2297551593 SUSCQTFGDCYGOQ-UHFFFAOYSA-N 499.401 5.596 50 10 JKGE C[C@H]1CC[C@H]([C@@H](Br)c2ccc(OCc3ccccc3)cc2Br)CC1 2299529631 DWCDONANAIAWJS-QLVMHMETSA-N 452.230 7.290 50 10 JKGE Brc1cc(Br)cc(CO[C@@H]2CCCC[C@@H]2I)c1 2300174273 ORYIVKUIRMEZEY-QWHCGFSZSA-N 473.974 5.474 50 10 JKGE Cc1cc(Cl)c(Br)cc1[C@H](Br)c1cnsc1Br 2300278929 PWQBUWWMVGEYOV-JTQLQIEISA-N 460.416 6.114 50 10 JKGE FC1(F)CCCC[C@H]1[C@@H](Br)c1sc(Cl)cc1I 2300998109 OSGFZLHWIOTHSR-IMTBSYHQSA-N 455.533 6.268 50 10 JKGE Cc1sc(Br)cc1[C@H](Cl)c1c(Br)c(Br)nn1C 2301045056 YOSDPMWRYHHPOM-QMMMGPOBSA-N 463.420 5.406 50 10 JKGE Clc1cc(I)c([C@@H](Cl)c2cccc(Cl)c2Br)s1 2301082311 XXQBHRGWTUSOHP-JTQLQIEISA-N 482.395 6.750 50 10 JKGE CC1(C)CC[C@@H](Cc2ccc(I)c(Br)c2)[C@@H]1Br 2306200305 WJUPJFJTPMTIJK-GWCFXTLKSA-N 472.002 5.796 50 10 JKGE CC1(F)CC(CBr)(Cc2ccc(I)c(Br)c2)C1 2306227097 LJZCNVPZHVKLOU-UHFFFAOYSA-N 475.965 5.500 50 10 JKGE Cc1ccc(NC(=O)C(C#N)=Cc2ccc(Oc3ccc(C(F)(F)F)cc3[N+](=O)[O-])cc2)cc1 2313567816 LMNFTOOTUVXINE-UHFFFAOYSA-N 467.403 6.260 50 10 JKGE CCOc1cc(C=C(C#N)C(=O)Nc2cccc3ccccc23)ccc1OC(=O)c1ccc(Cl)cc1 2313681094 GZTPZTQXMYSBNE-UHFFFAOYSA-N 496.950 6.657 50 10 JKGE FC1(F)CC2(C[C@@H]2[C@H](Br)c2cc(Br)ccc2OCc2ccccc2)C1 2314443830 IMOHVQMOAZLBIB-SJLPKXTDSA-N 472.167 6.900 50 10 JKGE Brc1cc(OCc2ccccc2)ccc1[C@H](Br)[C@@H]1C[C@@]12CCCOC2 2314500634 PNTITYFYAPHHIA-SESVDKBCSA-N 466.213 6.281 50 10 JKGE CC(C)c1ccc(N2C(=O)[C@@H](Cc3ccccc3F)SC2=C(C#N)C(=O)NCc2ccco2)cc1 2314593233 JYEVETOWXPHVNU-XMMPIXPASA-N 489.572 5.285 50 10 JKGE CCCCOc1ccc(C=C(C#N)C(=O)Nc2sc3c(c2C(=O)OCC)CC[C@@H](C)C3)cc1 2314734717 GBJSTKAZYMIGOB-QGZVFWFLSA-N 466.603 5.774 50 10 JKGE COC(=O)C(C#N)=Cc1cccc(OC(=O)C=Cc2ccc(OCc3ccccc3C)c(OC)c2)c1 2314753598 CAAQFVBOEJMJRJ-UHFFFAOYSA-N 483.520 5.281 50 10 JKGE Cc1sc(NC(=O)C(C#N)=Cc2ccc(Cl)cc2)nc1-c1ccc(Br)cc1 2314793814 ZXIPCZSVPJTYOY-UHFFFAOYSA-N 458.768 6.080 50 10 JKGE Cc1cc(Br)c(F)c(Br)c1[C@@H](Cl)c1cc(Br)co1 2317428880 LTWPNHGANGLBKD-NSHDSACASA-N 461.350 6.343 50 10 JKGE COC1(C(F)F)CC([C@H](Br)c2cc(Br)sc2Br)C1 2320064122 MGFVWOKLBGAYSR-QHCBANEHSA-N 468.983 5.769 50 10 JKGE CCOC(=O)c1c(NC(=O)C(C#N)=Cc2cccc(Cl)c2)sc(C(=O)OCC(C)C)c1C 2329687262 WYOPMZAGGQCIGB-UHFFFAOYSA-N 474.966 5.245 50 10 JKGE C[C@H](CCNC(=O)C(C#N)=Cc1cccc(Br)c1)c1cccc(-c2ccc(O)cc2)c1 2329694471 SIPUSXWZGACNTE-GOSISDBHSA-N 475.386 6.039 50 10 JKGE COC(=O)c1c(NC(=O)C(C#N)=Cc2cccc(Br)c2)sc(C)c1-c1ccccc1 2329699414 RRVIBACFPGGUEQ-UHFFFAOYSA-N 481.371 5.818 50 10 JKGE CC(C)OC(=O)c1ccc(C(C#N)=Cc2ccc(OCc3c(Cl)cccc3Cl)cc2)o1 2331049705 JHZCNJBYKKEQMD-UHFFFAOYSA-N 456.325 6.795 50 10 JKGE CCc1cccc(C)c1N1C[C@@H](C(O)=C(C#N)c2nc(-c3ccc([N+](=O)[O-])cc3)cs2)CC1=O 2331281212 UEQFSYMUPOFLSV-SFHVURJKSA-N 474.542 5.435 50 10 JKGE CCOC(=O)c1ccc(N2C[C@@H](C(O)=C(C#N)c3nc(-c4cccc(Cl)c4)cs3)CC2=O)cc1 2331294186 ZUYCNPFUEIUOES-KRWDZBQOSA-N 493.972 5.486 50 10 JKGE CCCOc1ccc(-c2csc(C(C#N)=C(O)c3c(Cl)ccc(Cl)c3OC)n2)cc1 2331318172 CVDPAHPOTWNBPA-UHFFFAOYSA-N 461.370 6.864 50 10 JKGE COc1c(Cl)cc(Cl)cc1-c1csc(C(C#N)=C(O)CN2C(=O)c3ccccc3C2=O)n1 2331362800 SCMYHBLOYUZAFK-UHFFFAOYSA-N 486.336 5.214 50 10 JKGE N#CC(=Cc1cccc(OCc2ccccc2)c1)c1nc(-c2cccc(Br)c2)cs1 2331432590 LUABCQIFDWYAHB-UHFFFAOYSA-N 473.395 7.216 50 10 JKGE COc1cc(C=C(C#N)c2nc(-c3cccc(Cl)c3)cs2)cc(Br)c1OC(C)C 2331439735 HTHRUUFHAXIMFA-UHFFFAOYSA-N 489.822 7.086 50 10 JKGE COc1cc(C=C(C#N)c2nc(-c3cccc(Cl)c3)cs2)ccc1OCc1ccc(Cl)cc1 2331440189 MLMLNPZGAIMRBR-UHFFFAOYSA-N 493.415 7.769 50 10 JKGE CCCCOc1c(Br)cc(C=C(C#N)c2nc(-c3cccs3)cs2)cc1OC 2331450884 MXWONHDJTSVNIU-UHFFFAOYSA-N 475.433 6.886 50 10 JKGE CCCCCOc1ccc(C=C(C#N)c2nc(-c3ccc4c(c3)OCCO4)cs2)cc1OC 2331452100 HAVLRCFMJLCOOD-UHFFFAOYSA-N 462.571 6.223 50 10 JKGE FC1(F)C[C@H]([C@@H](Br)c2cc(Br)ccc2OCc2ccccc2)C12CCC2 2336052774 DDRSNDQCGABGBL-MJGOQNOKSA-N 486.194 7.290 50 10 JKGE CCC[C@H]1CC[C@H]([C@@H](Br)c2ccc(OCc3ccccc3)cc2Br)CC1 2336083298 JBYPXBMHKSUPAY-LYHRCORUSA-N 480.284 8.071 50 10 JKGE COCc1ccccc1[C@H](Br)c1ccc(OCc2ccccc2)cc1Br 2336083880 NYLDXMTXSICFFL-QFIPXVFZSA-N 476.208 6.659 50 10 JKGE Fc1c(Br)cc(Cl)c([C@H](Br)[C@@H]2C3C[C@@H]4C2[C@@H]4C3)c1Br 2337085877 FFBCCWCTJAHZCO-UZUCMYSTSA-N 473.405 6.342 50 10 JKGE Fc1ccc([C@@H](CBr)Cc2ccc(Cl)c(I)c2)cc1 2337224739 CSUSTLNRDSLTQC-GFCCVEGCSA-N 453.520 5.805 50 10 JKGE Cc1cc(Br)c(F)c(Br)c1[C@H](Br)[C@@H]1[C@@H]2CCCO[C@H]21 2339655848 HXFOYLADFORAST-LPISUOKISA-N 456.975 5.520 50 10 JKGE CCC(CC)(CC)[C@@H](Br)c1c(C)cc(Br)c(F)c1Br 2339656927 SKJGSSGZLLPKEZ-AWEZNQCLSA-N 459.035 7.312 50 10 JKGE FC1(F)[C@H]2C[C@](CBr)(Cc3ccc(Cl)cc3I)C[C@H]21 2341051657 QIDWEEUCLYPMJP-PJXYFTJBSA-N 461.515 5.544 50 10 JKGE Cc1cc(CCl)cc(OCc2cc(I)ccc2Br)n1 2341552865 SGKQXYONFUCTAO-UHFFFAOYSA-N 452.517 5.075 50 10 JKGE ClCC1(NCc2ccc(I)c(Br)c2)CC2(CCC2)C1 2349828140 KDKRNAALOJIWSC-UHFFFAOYSA-N 454.577 5.085 50 10 JKGE Cc1cc(Br)c(C(C)C)cc1[C@H](Cl)c1sccc1I 2352790730 PLCZOTNXHYZLLG-AWEZNQCLSA-N 469.613 6.875 50 10 JKGE FC(F)(F)C1([C@H](Cl)c2cc(Br)ccc2OCc2ccccc2)CCCCC1 2361169260 SZSLHMARRIZNEY-LJQANCHMSA-N 461.749 7.821 50 10 JKGE Cn1cnc(Br)c1[C@H](Br)c1ccc(Br)c2ccccc12 2362433338 MHXXQXFJHRKMCI-CYBMUJFWSA-N 458.979 5.583 50 10 JKGE Clc1ccc(C[C@H]2CCc3ccccc3[C@H]2Br)cc1I 2362434271 ZHWSKJQAVRCQBH-DYVFJYSZSA-N 461.568 6.186 50 10 JKGE FC(F)(F)CCCCCO[C@@H](CI)c1ccc(Br)cc1 2362737675 XRYMZCNXHWTJTH-ZDUSSCGKSA-N 465.091 6.065 50 10 JKGE Cc1cc(Br)c(F)c(Br)c1[C@H](Br)C1(C(C)(C)C)CCC1 2365225595 LGLYQOKFMVUGMD-AWEZNQCLSA-N 471.046 7.312 50 10 JKGE C[C@H](Br)C[C@@H]1CCCCCN1Cc1ccc(Cl)cc1I 2366738563 NLIAYJWAMOIRQM-WFASDCNBSA-N 470.620 5.863 50 10 JKGE O=C(N[C@H](CCBr)COCc1ccccc1)c1ccc(C(F)(F)F)cc1Cl 2369430327 BJTRQBIBSXUVMI-OAHLLOKOSA-N 464.709 5.459 50 10 JKGE Cc1ccc(CBr)c(OCc2ccc(Cl)cc2Br)c1Br 2380659864 SDPYQHJNBPMGFC-UHFFFAOYSA-N 483.425 6.647 50 10 JKGE O=C(NC1CCCCC1)[C@@H](c1ccc(Cl)cc1)N(Cc1ccccc1Cl)C(=O)CCl 3035244 WCAPSOSEKMOVFC-JOCHJYFZSA-N 467.824 5.751 50 10 JKGE O=C(NC1CCCCCC1)[C@@H](c1ccc(F)cc1)N(Cc1ccccc1Cl)C(=O)CCl 3038750 BUUMOMMFGHABGV-HSZRJFAPSA-N 465.396 5.627 50 10 JKGE CC[C@@H](C)Oc1ccc(C(=O)NNC(=O)c2ccc(NC(=O)c3ccc(C(C)(C)C)cc3)cc2)cc1 10292141 USTJXSNDAMGYLF-LJQANCHMSA-N 487.600 5.489 50 10 JKGE O=C(COc1ccc2cc(Br)ccc2c1Br)N/N=C/c1ccccc1Cl 12491315 LJGKCUDQMUXHMK-AUEPDCJTSA-N 496.586 5.547 50 10 JKGE CC[C@H](C)c1ccc(OCC(=O)NNC(=O)c2ccc(C(C)(C)C)cc2)c(Br)c1 14832311 WFRYMUDBBCJACB-HNNXBMFYSA-N 461.400 5.100 50 10 JKGE CCOc1cc(/C=C(\C#N)C(=O)Nc2cc(Cl)ccc2OC)ccc1OC(=O)c1cccs1 20175884 BRFOXUIOHVKTLI-LFIBNONCSA-N 482.945 5.574 50 10 JKGE CCCOc1ccc(/C=C(/C#N)C(=O)Nc2sc3c(c2C(=O)OC)CC[C@H](C(C)(C)C)C3)cc1 33596182 RLGLAIUGHRKZJL-BSKAQADGSA-N 480.630 6.020 50 10 JKGE CCCCOc1ccc(/C=C(/C#N)C(=O)Nc2ncc(Cc3ccc(C)c(Cl)c3)s2)cc1OC 33893954 YQWJDCICQROBGH-JAIQZWGSSA-N 496.032 6.429 50 10 JKGE N#C/C(=C/c1ccc(OCc2cccc3ccccc23)cc1)C(=O)Nc1ccc([N+](=O)[O-])cc1Cl 33930094 YNPKGAYDQZETPH-STZFKDTASA-N 483.911 6.526 50 10 JKGE N#C/C(=C/c1c(-c2ccc(Cl)cc2)nc2sc3c(n12)CCCC3)c1cccc(C(F)(F)F)c1 34380384 LGRFRTISPAZKPI-LGMDPLHJSA-N 483.946 7.678 50 10 JKGE N#C/C(=C\c1ccc(-c2cc(C(F)(F)F)ccc2Cl)o1)c1nc(-c2ccc(F)cc2)cs1 35519109 GAJMRKFBJNQBKH-NTEUORMPSA-N 474.866 7.946 50 10 JKGE N#CC1=C(N)Oc2cc(OC(=O)c3ccc(F)cc3)ccc2[C@@H]1c1ccc(Br)cc1 38651584 MSTQDZDRHNOQSE-NRFANRHFSA-N 465.278 5.026 50 10 JKGE CC(C)(C)c1ccc(OCC(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@@H]3c2ccccc2F)cc1 38652149 QGOBRBFRUGTDCJ-AREMUKBSSA-N 472.516 5.326 50 10 JKGE COc1cccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4ccc(C(C)(C)C)cc4)ccc32)c1OC 38658704 KSDYFAQLSOKGOW-VWLOTQADSA-N 484.552 5.439 50 10 JKGE O=C(CSc1nc(-c2ccc(Cl)cc2)cs1)N/N=C/c1ccc(Br)o1 40924855 YCGMWJPPIRXUDB-FBCYGCLPSA-N 456.774 5.061 50 10 JKGE CCOc1ccc([C@H](O)CCC(=O)N/N=C\c2ccc(-c3cccc(Br)c3)o2)cc1 58894746 KDEQHSCUPOFPCO-QEMKNDADSA-N 471.351 5.072 50 10 JKGE Cc1cc(/C=N/NC(=O)c2cc3ccccc3o2)c(C)n1-c1ccc(OCc2ccccc2F)cc1 59304590 ADPSPWQIEZULNT-KBVAKVRCSA-N 481.527 6.322 50 10 JKGE Brc1ccc([C@H](Br)c2cccc(I)c2)s1 71103071 OLAWGSRKSWYJOR-LLVKDONJSA-N 457.956 5.600 50 10 JKGE Cc1ccc([P+](Cc2ccc(Cl)cc2Cl)(c2ccc(C)cc2)c2ccc(C)cc2)cc1 95704782 MJSHMSPRBWMWPV-UHFFFAOYSA-N 464.396 7.413 50 10 JKGE C[C@H](Cl)c1nc2cc(I)ccc2n1-c1ccc(Br)cc1 97353894 DKWNNZGAQPYVGJ-VIFPVBQESA-N 461.528 5.692 50 10 JKGE N#C/C(=C/Nc1cc(C(F)(F)F)cc(C(F)(F)F)c1)S(=O)(=O)c1ccc2ccccc2c1 100406103 YMXVKBJVTVJGIL-UNOMPAQXSA-N 470.394 6.128 50 10 JKGE CCCCN1C(=O)C(C#N)=C(C)/C(=C\c2cn(-c3ccccc3)nc2-c2ccc(OC(C)C)cc2)C1=O 101333038 BJGLLODRUHSEPF-YZSQISJMSA-N 494.595 5.719 50 10 JKGE COc1cc(/C=C2/C(=O)N(Cc3ccccc3)C(=O)C(C#N)=C2C)ccc1OCc1ccc(Cl)cc1 101335173 QVONXKWLJBSBCZ-ZVHZXABRSA-N 498.966 5.720 50 10 JKGE N#C/C(=C\Nc1cc(Cl)ccc1Cl)c1nc(-c2cc3c(ccc4ccccc43)oc2=O)cs1 102404721 LYGQOSJEEKMEIP-NTCAYCPXSA-N 490.371 7.353 50 10 JKGE CCOc1ccc(-c2nn(-c3ccccc3)cc2/C=C(\C#N)C(=O)NCc2ccccc2)cc1C 102858507 FHRTUZBXFYRAGE-JJIBRWJFSA-N 462.553 5.470 50 10 JKGE CCCCCCCCOc1ccc(/C=N/NC(=O)COc2ccc(Cl)cc2Cl)cc1 103728048 PFZYOXDYMGCCIK-WGOQTCKBSA-N 451.394 6.262 50 10 JKGE Cc1cccc(N/C(SCc2ccc(Cl)cc2)=C(\C#N)S(=O)(=O)c2ccccc2)c1 104689096 QVBVWQHSKNUVQU-FCQUAONHSA-N 455.004 6.160 50 10 JKGE CCOc1cc(Cl)c([C@@H](Br)c2cc(C)cc(Br)c2)cc1Cl 132030297 WFELOWHCFMEPSP-INIZCTEOSA-N 453.001 6.947 50 10 JKGE COc1cc([C@H](Br)c2ccc(Br)c(C)c2)c(OC)cc1Br 134298121 XPPQTAOWIZMBJN-MRXNPFEDSA-N 479.006 6.022 50 10 JKGE CCCCOc1cccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)/C=C\c4ccc(C)cc4)ccc32)c1 205660162 DNVIEJQQWHFTOU-MYTNRPAFSA-N 480.564 6.011 50 10 JKGE Brc1ccc(I)cc1[C@@H](Br)Cc1cccs1 232475884 LEOPSNCAKMDWLV-LBPRGKRZSA-N 471.983 5.794 50 10 JKGE ClCc1cc(Br)c(OCc2ccc(Cl)c(Cl)c2)c(Br)c1 236020575 HIEUSTCNNLYHRA-UHFFFAOYSA-N 459.392 6.836 50 10 JKGE Cc1cccc(N[C@@H](C)C(=O)NN=Cc2ccccc2OCc2ccc(Br)cc2)c1 251069987 OCXGHTKIPMJDTP-SFHVURJKSA-N 466.379 5.287 50 10 JKGE Cc1nn(-c2ccccc2)c2sc(C(=O)NN=C/C=C3/N(C)c4ccccc4C3(C)C)cc12 252513401 ZOKWXDRDOGZXDF-XAXXYBTDSA-N 455.587 5.423 50 10 JKGE CC(C)(C)C(=O)Nc1ccc(C(=O)NN=Cc2ccccc2OC(=O)c2ccc(Cl)cc2)cc1 252643273 ZTUAAIMNWKKUQR-UHFFFAOYSA-N 477.948 5.308 50 10 JKGE Cc1cc(C=NNC(=O)CSc2nc3ccccc3s2)c(C)n1-c1ccc(Cl)cc1 254490072 DYBFBPAKUGLREU-UHFFFAOYSA-N 455.008 5.600 50 10 JKGE CCCCCCCCO[C@]1(CI)CCCN(C(=O)OC(C)(C)C)C1 303741114 GRRDQPFFCPBZRB-IBGZPJMESA-N 453.405 5.568 50 10 JKGE Cc1ccc([C@H]2CN(C(=O)OCc3ccccc3)C[C@@H]2CBr)cc1Br 382716743 KXTOKDVPMDOADD-ZWKOTPCHSA-N 467.201 5.505 50 10 JKGE CN(C(=O)OC(C)(C)C)c1ccc([C@H]2CN(CCO[Si](C)(C)C(C)(C)C)c3ccccc3N2)cc1 616686090 WUMBMSJMHFXKED-XMMPIXPASA-N 497.756 7.053 50 10 JKGE Fc1ccc([C@H](Br)c2ccccc2I)c(F)c1Br 691538625 IIDMTPPLPDLDML-LLVKDONJSA-N 487.907 5.816 50 10 JKGE Clc1ccc(COc2c(Br)cc(Br)cc2CBr)nc1 703888049 ZZDMERVUPUDXEL-UHFFFAOYSA-N 470.386 5.734 50 10 JKGE CC[C@H](C[C@H](Br)c1cc(I)cc2c1OCC2)C(C)(C)C 711141235 GZVZYGQIRXNXGT-DOMZBBRYSA-N 451.186 6.125 50 10 JKGE Cc1sc([C@H](Cl)c2cc(Cl)ccc2I)c(C)c1Br 724985658 TZVKJRNTNFPTKG-GFCCVEGCSA-N 476.004 6.714 50 10 JKGE COc1cc(C=NNC(=O)c2ccc(Cl)cc2)ccc1Oc1ccc(C(F)(F)F)cc1[N+](=O)[O-] 1083958923 VPGGUCVOUPBFTQ-UHFFFAOYSA-N 493.825 5.832 50 10 JKGE CCOc1cc(/C=C(\C#N)C(=O)N2CCN(c3ccccc3)CC2)ccc1OCc1cccc(C)c1 1083976546 KETYOXMOJJWNLS-LGUFXXKBSA-N 481.596 5.229 50 10 JKGE Cc1ccc(C(=O)Oc2ccccc2C=NNC(=O)c2ccc(NC(=O)c3ccccc3)cc2)cc1 1083998448 HEAOEIXYJPEQLV-UHFFFAOYSA-N 477.520 5.230 50 10 JKGE CCn1c2ccccc2c2cc(C=NNC(=O)COc3ccc(Br)cc3Cl)ccc21 1083998449 HGGIGALYUJEPNM-UHFFFAOYSA-N 484.781 5.759 50 10 JKGE O=C(NN=Cc1cn(Cc2ccccc2)c2ccccc12)c1cc2cc(Br)ccc2o1 1084175178 BXQBURYVVZHYCF-UHFFFAOYSA-N 472.342 5.962 50 10 JKGE O=C(OCc1ccccc1)N1C[C@H](c2ccccc2OC(F)(F)F)[C@@H](CBr)C1 1614620693 BYRCGSFXCATYLB-RDJZCZTQSA-N 458.274 5.332 50 10 JKGE COc1ccc(/C(C#N)=C/c2cccc(OC(=O)CC(c3ccccc3)c3ccccc3)c2)cc1 1615066742 MEDUNHOPARWBRR-ZXVVBBHZSA-N 459.545 6.887 50 10 JKGE CCOC(=O)c1c(NC(=O)NN=Cc2c(Cl)cccc2Cl)sc2c1CC[C@H](C)C2 1772753096 OAWCOHQSRICGFW-NSHDSACASA-N 454.379 5.512 50 10 JKGE O=C(CSc1nc2ccccc2s1)NN=Cc1ccccc1OCc1ccc(F)cc1 1772760583 WVCIQWXFJWLDMT-UHFFFAOYSA-N 451.548 5.257 50 10 JKGE N#CC1=C(N)Oc2c(c(C(F)(F)F)nn2Cc2cccc(Cl)c2)[C@H]1c1ccc(Cl)cc1 1865683128 GOTZWJFHOJNKSZ-INIZCTEOSA-N 465.262 5.475 50 10 JKGE COc1ccc(-c2nn(Cc3cccc(F)c3)c3c2[C@H](c2cccc(Cl)c2)C(C#N)=C(N)O3)cc1 1865684604 SXHSMQFFLXYXTO-HSZRJFAPSA-N 486.934 5.618 50 10 JKGE CCc1nn(Cc2ccc(Cl)cc2)c2c1[C@H](c1c(OC)ccc3ccccc13)C(C#N)=C(N)O2 1865687978 FSQYPTNNMJMZNB-DEOSSOPVSA-N 470.960 5.527 50 10 JKGE CCCOc1ccc([C@H]2C(C#N)=C(N)Oc3c2c(C)nn3Cc2cc(C)ccc2C)cc1OCC 1865688707 YUFWMOHOEKGPGY-SANMLTNESA-N 472.589 5.262 50 10 JKGE CCCCOc1ccc([C@@H]2C(C#N)=C(N)Oc3c2c(CCC)nn3Cc2cc(C)ccc2C)cc1 1865692086 IVSVESVFUDXPCD-AREMUKBSSA-N 470.617 5.898 50 10 JKGE CCCCCCOc1ccc([C@H]2C(C#N)=C(N)Oc3c2c(CC)nn3CC(C)C)cc1OC 1865697281 ZCXZLRHJSNWKIU-QHCPKHFHSA-N 452.599 5.287 50 10 JKGE CC[C@@](C)(NC(=O)Cc1csc(COc2ccc(C)cc2)n1)C(=O)Nc1ccc(SC#N)cc1 1866588985 QZPMTLWSVHPLFA-RUZDIDTESA-N 494.642 5.070 50 10 JKGE CCOc1cc(/C=C(\C#N)n2cnc3ccccc32)ccc1OCc1ccc(Cl)cc1Cl 1872727348 SKFXZUDGEZWBMU-RGVLZGJSSA-N 464.352 6.842 50 10 JKGE COC(=O)c1ccc(/C(C#N)=C/c2ccc(-n3nc(-c4ccccc4)cc3-c3ccccc3)cc2)o1 1872728507 GMIOHQSORMKOOK-HKOYGPOVSA-N 471.516 6.650 50 10 JKGE C[C@@H](/C(O)=C(\C#N)c1nc(-c2cccc(Br)c2)cs1)N1C(=O)c2ccccc2C1=O 1872745813 DSJROFWJYKFHKM-LCIOQVQZSA-N 480.343 5.050 50 10 JKGE COc1ccc(-c2csc(/C(C#N)=C(\O)C(c3ccccc3)c3ccccc3)n2)c(OC)c1 1872755309 HSJZUYGXAHYAFO-ROMGYVFFSA-N 454.551 6.452 50 10 JKGE COc1ccc(/C=C/C(O)=C(\C#N)c2nc(-c3cc(Cl)c(OC)c(Cl)c3)cs2)cc1OC 1872756128 RYGUSANIJVJTLS-DWIOIQMSSA-N 489.380 6.649 50 10 JKGE N#C/C(=C(O)\C=C\c1ccc(Cl)cc1Cl)c1nc(-c2cc(Cl)ccc2Cl)cs1 1872758075 KEDULYYRVSVMCB-PHCAUUPXSA-N 468.192 7.930 50 10 JKGE C[C@@H](Oc1ccc(Cl)cc1Cl)/C(O)=C(\C#N)c1nc(-c2cc(Cl)ccc2Cl)cs1 1872758510 DOUXINKXHQFOLD-OIURLTOFSA-N 486.207 7.684 50 10 JKGE CCCCCOc1ccc(/C=C(\C#N)c2nc(-c3cc(Cl)ccc3OC)cs2)cc1OCC 1872795290 XUCFDNXMALJWQF-CPNJWEJPSA-N 483.033 7.504 50 10 JKGE Cc1c(CBr)cc(Cl)cc1S(=O)(=O)N(Cc1ccccc1)Cc1ccccc1 1885383045 OXPFDFBWSSIEHN-UHFFFAOYSA-N 478.839 5.934 50 10 JKGE C[C@H](Cl)CN(Cc1ccccc1)C(=O)c1scc(Br)c1Br 1914606809 CFJMJWFOCPJOOO-JTQLQIEISA-N 451.611 5.543 50 10 JKGE C[C@H]1CN(Cc2ccccc2)C[C@@H](C)CN1c1ccc(CBr)c(Br)c1 1921462785 GUHLOPUAGXYDQU-SJORKVTESA-N 466.261 5.691 50 10 JKGE O=C(NCC1CCC(CBr)CC1)c1cc(Br)sc1Br 1922680480 RRKGDIISMGZEHI-UHFFFAOYSA-N 474.056 5.204 50 10 JKGE Cc1cccc(C)c1[C@@H](Br)c1c(Br)sc(Br)c1Cl 1923049122 KWTGDYLWQLIRSG-SNVBAGLBSA-N 473.455 7.028 50 10 JKGE Clc1c(Br)sc(Br)c1[C@@H](Cl)Cc1ccccc1Br 1923055699 XPPLBDBVIPVJQN-QMMMGPOBSA-N 493.873 7.212 50 10 JKGE Fc1ccc(Br)c([C@H](Br)c2c(Cl)sc(Br)c2Cl)c1 1925583954 GWAMFDVCFQMNML-QMMMGPOBSA-N 497.836 7.203 50 10 JKGE Fc1cc([C@@H](Cl)c2c(Cl)sc(Br)c2Cl)ccc1Br 1925588154 NRBWSLIFLJKDJQ-MRVPVSSYSA-N 453.385 7.047 50 10 JKGE Clc1sc(Br)c(Cl)c1[C@H](Br)c1cc2c(s1)CCCCC2 1925598704 JZMFLDKFJUVCFC-LLVKDONJSA-N 475.098 7.632 50 10 JKGE Cc1cc([C@@H](Cl)c2csc(Br)c2Br)sc1Br 1937735189 XBZLDUPPDQCLAB-QMMMGPOBSA-N 465.457 6.734 50 10 JKGE CCOc1ccc(Br)cc1[C@H](Br)c1sncc1Br 2028524100 IVLBNASWJMYMQZ-NSHDSACASA-N 455.997 5.551 50 10 JKGE CN(c1cccc(Br)c1CBr)[C@@H]1CC(C)(C)[C@@H]1OCc1ccccc1 2038795370 STJIMYLUNIAJIE-WOJBJXKFSA-N 467.245 6.164 50 10 JKGE N#CC(C(=O)N1CCCC1)=C(Nc1ccc(Cl)cc1)SCC(=O)Nc1ccc2ccccc2c1 2040469364 OVZQXQVFWLLWDL-UHFFFAOYSA-N 491.016 5.635 50 10 JKGE CC(C)(C)OC(=O)NCCSSCCN[C@@H]1CCCC[C@@]12CCN(C(=O)OC(C)(C)C)C2 2061261975 IBKGWKPDHITLBD-JPYJTQIMSA-N 489.748 5.052 50 10 JKGE FC(F)(C1CCCC1)[C@H](Br)c1c(Br)sc(Br)c1Cl 2065542958 ZKFMCINAEYWYAH-MRVPVSSYSA-N 487.429 7.188 50 10 JKGE Cc1ccc(C[C@H](Br)c2ccc(Br)cc2I)nc1 2086150200 XUINTKWBBAPJSU-ZDUSSCGKSA-N 480.969 5.436 50 10 JKGE CC(C)(C)N1C[C@H](Br)[C@H](Cc2cccc(Br)c2Br)C1 2100730866 NHSQBHQWUQCUCC-YPMHNXCESA-N 454.044 5.248 50 10 JKGE O=C(NC[C@H]1CCCC[C@@H](Br)C1)c1cc(Br)c(Br)s1 2107481056 NSXPWUZMAZCBPU-DTWKUNHWSA-N 474.056 5.347 50 10 JKGE Clc1ccc(CC[C@@H](Br)c2ccc(Br)cc2)cc1Br 2113481739 UKLMQLQNHIGFOD-CYBMUJFWSA-N 467.426 6.934 50 10 JKGE Cc1c(Br)ccc([C@@H](Br)C23CC(C)(C2)O[C@@H]3C)c1Br 2138874366 VNVBAMQIDJZRET-JKIGLROPSA-N 453.012 5.914 50 10 JKGE COc1c(C)cc(Br)cc1[C@@H](Br)c1nc(C)sc1Br 2141645578 KEQYIKNKHMMLCL-SNVBAGLBSA-N 470.024 5.778 50 10 JKGE Fc1cc([C@@H](Br)c2cc(Br)c3c(c2)CCO3)ccc1Br 2146628743 PDCVVMJEPKSKSK-CQSZACIVSA-N 464.954 5.770 50 10 JKGE Cl[C@H](c1cc(Br)c2c(c1)CCO2)c1c(Br)cccc1Br 2150504519 XLXRXCDYOQQLKC-CQSZACIVSA-N 481.409 6.237 50 10 JKGE CCn1ncc(Br)c1[C@H](Br)c1c(Br)cc(F)c(F)c1F 2150667092 XXEDIXQBQYCKIT-SECBINFHSA-N 476.916 5.330 50 10 JKGE Clc1cc([C@@H](Br)c2ccc(Br)c3ccccc23)sc1Cl 2156049193 FTRRYHGTHLUAEM-AWEZNQCLSA-N 451.010 7.455 50 10 JKGE CCc1cc([C@H](Br)c2cc(Cl)ccc2I)c(F)cc1F 2175375155 OHRLXDOABXHAJY-HNNXBMFYSA-N 471.510 6.270 50 10 JKGE C[C@H]1C[C@@H](C(F)(F)F)N(CC2(CBr)CCCC2)CCN1C(=O)OC(C)(C)C 2178262638 FJGFVYUKDQHSPO-GJZGRUSLSA-N 457.375 5.204 50 10 JKGE Cc1c([C@@H](Cl)c2scc(C(F)(F)F)c2Br)c(Br)nn1C 2188144571 NFZHQOYYLREYEJ-MRVPVSSYSA-N 452.521 5.662 50 10 JKGE Cc1c([C@@H](Br)c2c(Br)cc(F)c(F)c2F)c(Br)nn1C 2188149644 DIKFSIQTIVKIMF-SECBINFHSA-N 476.916 5.155 50 10 JKGE Cc1cc([C@@H](Br)c2ccc(Br)c(C)c2Br)c(F)cc1F 2203684793 KRZNGRYMKLYSRX-HNNXBMFYSA-N 468.961 6.591 50 10 JKGE COc1c(Br)cc(C)cc1[C@H](Cl)Cc1ccccc1I 2203823488 JYPWSVOBZVUSOD-CQSZACIVSA-N 465.556 5.893 50 10 JKGE COc1c(Br)cc(C)cc1[C@@H](Br)c1cc(C)cc(Br)c1 2203823626 KCOCNTPEMLBMHT-HNNXBMFYSA-N 463.007 6.321 50 10 JKGE O=C(c1ccc(Br)cc1Br)N1[C@H](CBr)CCC12CCC2 2205773598 SCBKXEODKGJWCO-NSHDSACASA-N 466.011 5.134 50 10 JKGE CN(C(=O)c1ccc(Br)cc1I)[C@@H]1CCCCC[C@@H]1Cl 2207272676 PGPMCQRKHJGEKD-GXTWGEPZSA-N 470.576 5.066 50 10 JKGE Cc1cc([C@@H](Br)c2cc(Br)c(C)s2)cc(C)c1Br 2220200832 ZFWALUAZMDGWLT-CQSZACIVSA-N 453.037 6.683 50 10 JKGE C[C@H]1C[C@@H](n2c(CCl)nc3cc(Br)c(Br)cc32)CN1Cc1ccccc1 2225704910 QXCWUMZCOOHPGX-DZGCQCFKSA-N 497.662 6.136 50 10 JKGE COc1cc(Br)c([C@H](Cl)c2scc(Br)c2Br)cc1C 2227724628 YQGKOJWHAHOPLC-LBPRGKRZSA-N 489.454 6.681 50 10 JKGE O=C(c1cc(Br)ccc1Br)N1CCC[C@H](CCCBr)C1 2234183465 ZEVYZGHVXWIVTQ-NSHDSACASA-N 468.027 5.239 50 10 JKGE Cc1cc([C@@H](Br)c2c(Br)cc(C)c(Br)c2C)ccc1Cl 2235601926 BVUCPQRJEJNHGW-MRXNPFEDSA-N 481.453 7.275 50 10 JKGE Cc1cc(Br)c([C@H](Br)c2cc3cscc3s2)c(C)c1Br 2235612992 UCEUMHKITGGACB-OAHLLOKOSA-N 495.099 7.589 50 10 JKGE COc1cc(Br)ccc1[C@@H](Br)Cc1ccc(Br)cc1Cl 2237454788 USBAIJGAUOKXOV-ZDUSSCGKSA-N 483.425 6.552 50 10 JKGE Fc1cc(Br)c(F)c(Br)c1[C@H](Br)[C@H]1C[C@@H](Br)C1 2250784930 NPCNBWIMGBOTAS-IKMPGZOFSA-N 497.797 6.099 50 10 JKGE Cc1sc([C@H](Br)c2cccc(F)c2Br)c(Br)c1C 2253506002 UVLZTAJSUMNVQO-GFCCVEGCSA-N 457.000 6.513 50 10 JKGE CC1(C)[C@H]2CC[C@@H](C2)[C@@]1(CI)OC1CCN(Cc2ccccc2)CC1 2259464984 TWUHRPPFIUPTJR-CNNODRBYSA-N 453.408 5.298 50 10 JKGE COc1csc([C@H](Br)Cc2cc(Br)cc(Br)c2)c1 2263515674 RHFBWKQRUAFWFU-GFCCVEGCSA-N 455.009 5.960 50 10 JKGE Cc1sc([C@H](Br)c2cc3sc(Br)cc3s2)cc1Br 2263576002 IHVKDNILMMSAAG-LBPRGKRZSA-N 487.101 7.342 50 10 JKGE COc1c([C@H](Br)c2csnc2Br)cc(Br)c(C)c1C 2269166352 CUUACMNGDDAFMW-NSHDSACASA-N 470.024 5.778 50 10 JKGE C[C@@]1([C@@H](Br)c2c(F)cc(Br)c(F)c2Br)CCCOC1 2272747855 ORGBCRRGFLOROG-QWHCGFSZSA-N 462.954 5.743 50 10 JKGE FC[C@@]12CC[C@@]([C@H](Cl)c3c(Br)sc(Br)c3Cl)(CO1)C2 2274684086 JNJUAOFRNPOQSF-ZHAHWJHGSA-N 452.998 6.115 50 10 JKGE C[C@@H]1OC2(C)CC1([C@@H](Br)Cc1cc(Br)cc(Br)c1)C2 2277954876 ZJJANWNUAQNSMY-RCADUFJZSA-N 453.012 5.475 50 10 JKGE Fc1cc(Br)c(F)c(Br)c1[C@H](Br)[C@@H]1OC[C@H]2CCC[C@H]21 2288489722 XKPFNYBGAVSFRL-MQAFMZSISA-N 474.965 5.741 50 10 JKGE Fc1cccc([C@@H](Br)c2c(F)cc(Br)c(F)c2Br)c1F 2288492987 NFYOYYFKTKIRDU-SNVBAGLBSA-N 476.887 6.252 50 10 JKGE CCOC(=O)c1c(NC(=O)C(C#N)=Cc2ccc(-c3cc(Cl)ccc3Cl)o2)sc(C)c1C 2294818828 YIFKVTVUXHAVPO-UHFFFAOYSA-N 489.380 6.654 50 10 JKGE COc1cc([N+](=O)[O-])c(Cl)cc1-c1ccc(C=C(C#N)c2nn(-c3ccccc3)c(N)c2C#N)o1 2297327424 LZZUKDFUTIJGMN-UHFFFAOYSA-N 486.875 5.221 50 10 JKGE CC[C@@H]1CC[C@@H]([C@@H](Br)c2cc(Br)ccc2OCc2ccccc2)O1 2299492752 DHNJTLXIWMTERJ-UXPWSPDFSA-N 454.202 6.422 50 10 JKGE Cl[C@H](c1ccccc1Br)c1cc(Br)ccc1OCc1ccccc1 2299494836 IZMKICQXHSIXPD-HXUWFJFHSA-N 466.600 7.119 50 10 JKGE C=CCOc1ccc(C=C(C#N)C(=O)Nc2cccc(Cl)c2Cl)cc1Br 2313571275 RGENBAYZMWINFY-UHFFFAOYSA-N 452.135 5.866 50 10 JKGE Cc1ccc(NC(=O)C(C#N)=Cc2ccccc2OCc2ccc(Br)cc2)cc1C 2313671160 LQAULUSFHRDHPD-UHFFFAOYSA-N 461.359 6.191 50 10 JKGE CCc1ccccc1NC(=O)C(C#N)=Cc1cc(Br)ccc1OCc1cccc(F)c1 2313675683 KETQWIUVNFRBIT-UHFFFAOYSA-N 479.349 6.275 50 10 JKGE Clc1ccc(C[C@H](Br)c2cc(Br)ccc2OCc2ccccc2)cc1 2314448563 IYFLEGVZQCJDIR-FQEVSTJZSA-N 480.627 7.360 50 10 JKGE Fc1cccc(F)c1[C@@H](Br)c1cc(Br)ccc1OCc1ccccc1 2314448612 JFPZKBSBYMJOIN-FQEVSTJZSA-N 468.135 6.791 50 10 JKGE N#CC(=C(O)c1ccccc1I)c1nc2cc(C(F)(F)F)ccc2s1 2314482985 LSQGTYZNQMUXEF-UHFFFAOYSA-N 472.229 5.870 50 10 JKGE FC1CC2(C1)CC([C@H](Br)c1ccc(OCc3ccccc3)cc1Br)C2 2314486864 FTGJOLIKCHYISY-CPJFGUOBSA-N 468.204 6.992 50 10 JKGE Cc1ccc(S(=O)(=O)C(C#N)=Cc2cn(-c3ccccc3)nc2-c2ccc3c(c2)OCCO3)cc1C 2314522326 DRAAJAYRSXOMLB-UHFFFAOYSA-N 497.576 5.266 50 10 JKGE CCOc1ccc(N2C(=O)[C@H](Cc3cccc(C)c3)SC2=C(C#N)C(=O)Nc2ccccc2C)cc1 2314592296 QEUCOSZTNZAVAR-SANMLTNESA-N 497.620 5.767 50 10 JKGE CCCCNC(=O)C(C#N)=Cc1ccc(OC(=O)[C@H](C)Oc2ccc(C(C)(C)C)cc2)c(OC)c1 2314789533 BTSDCXHZJFFCLX-IBGZPJMESA-N 478.589 5.189 50 10 JKGE Clc1cc(I)c([C@@H](Br)C[C@H]2CCCCC23CC3)s1 2316601686 WTVXLXMGZKABPR-ZJUUUORDSA-N 459.618 6.803 50 10 JKGE Cc1cc(Br)c(C(=O)N[C@@H](CCBr)COCc2ccccc2)cc1Cl 2320359603 FQUFWAVLAQKSCQ-HNNXBMFYSA-N 489.635 5.511 50 10 JKGE Cc1scc([C@H](Cl)c2ccc(Br)c(C)c2Br)c1Br 2320488899 JAYQIVPPNKRJOR-CYBMUJFWSA-N 473.455 6.981 50 10 JKGE Cc1cc(OCc2cccc(CCl)c2)cc2c1C(=O)C(=Cc1ccc(Br)cc1)O2 2325361078 BAATWMZSLFRHJL-UHFFFAOYSA-N 469.762 6.692 50 10 JKGE CCCCc1ccc(-c2csc(C(C#N)=C(O)CCCOc3ccccc3Cl)n2)cc1 2331256717 SXSYYSFIPWFCIS-UHFFFAOYSA-N 453.007 7.458 50 10 JKGE COc1ccc(-c2csc(C(C#N)=C(O)[C@H](CC(C)C)N3C(=O)c4ccccc4C3=O)n2)cc1C 2331259067 GSVIQNNSXPFMQB-QFIPXVFZSA-N 487.581 5.631 50 10 JKGE CC(C)COc1ccc(C(O)=C(C#N)c2nc(-c3ccc(Br)cc3)cs2)cc1 2331260022 FYQIVQKNJWPVRO-UHFFFAOYSA-N 455.377 6.557 50 10 JKGE COc1ccc(-c2csc(C(C#N)=C(O)C(c3ccccc3)c3ccccc3)n2)c(C)c1C 2331361283 DFOVLIIWZLWFFF-UHFFFAOYSA-N 452.579 7.060 50 10 JKGE COc1cc(C=C(C#N)c2nc(-c3cc(C)ccc3C)cs2)ccc1OCc1ccccc1 2331445500 FKBPODBQZXLLGL-UHFFFAOYSA-N 452.579 7.079 50 10 JKGE Cc1ccc(C(C)(C)C)cc1-c1csc(C(C#N)=Cc2cc3c(cc2[N+](=O)[O-])OCCO3)n1 2331479004 NUYWNNVKRJAKOI-UHFFFAOYSA-N 461.543 6.160 50 10 JKGE COc1ccc(-c2csc(C(C#N)=Cc3ccccc3OCc3ccccc3Cl)n2)cc1Cl 2331484889 ZXOADFDUNVJYQO-UHFFFAOYSA-N 493.415 7.769 50 10 JKGE COc1c(C)cc([C@@H](Br)c2cc(Br)c(Br)s2)cc1Cl 2337661903 XAIBSPZSUZHLDM-LLVKDONJSA-N 489.454 6.728 50 10 JKGE COc1ccc(OC)c([C@@H](Br)c2sc(Cl)cc2I)c1 2338559116 SLMMWOALOBBITB-GFCCVEGCSA-N 473.557 5.508 50 10 JKGE Cc1cc(Br)c(F)c(Br)c1[C@H](Br)C[C@H](C)C(F)(F)F 2339651228 NOVHUYYMFFEYQI-NKWVEPMBSA-N 470.924 6.684 50 10 JKGE Cc1cc(Br)c(F)c(Br)c1[C@H](Br)[C@@H]1C[C@@]1(C)C(F)F 2339657298 WWBVCMNNNLGXJE-XVGMESBDSA-N 464.945 6.386 50 10 JKGE Clc1ccc(I)cc1C[C@]1(CBr)CCCCC12CC2 2352423112 DIGDMJABYWRLAZ-INIZCTEOSA-N 453.589 6.223 50 10 JKGE CCc1cc(Br)c(OC)c([C@@H](Br)c2cc(Br)co2)c1 2353042737 QZXYGQOBHVQYPP-CYBMUJFWSA-N 452.968 5.860 50 10 JKGE Fc1c(Br)cc(Cl)c([C@H](Cl)[C@H]2CC23CC(F)(F)C3)c1Br 2362250725 GRCLZZBHCMDEOF-GPXNAGAYSA-N 452.923 6.719 50 10 JKGE COc1cc([C@H](Cl)c2cc(Br)sc2Br)c(OC)cc1Cl 2363535571 VQZYTWBSZOVWTN-LBPRGKRZSA-N 461.002 6.272 50 10 JKGE COc1c(Br)cc(C)c([C@H](Br)[C@H]2C[C@@H]3C[C@@H]3CO2)c1Br 2365193677 JYJVIRXAPGAMEW-SEMCEJNYSA-N 469.011 5.390 50 10 JKGE Cc1cc(Br)c(F)c(Br)c1[C@H](Cl)c1c(Br)nn(C)c1C 2365230237 HZCWGALHJZWAGO-NSHDSACASA-N 489.408 5.792 50 10 JKGE COc1c(Br)cc(C)c([C@@H](Br)c2cccc(C)c2)c1Br 2365232504 QMQIGKXXQREGNO-AWEZNQCLSA-N 463.007 6.321 50 10 JKGE COc1c(Br)cc(C)c([C@@H](Br)[C@H]2C(F)(F)C23CC3)c1Br 2365235981 MTVXOXDITDJQKG-ZYHUDNBSSA-N 474.965 6.010 50 10 JKGE CN(C(=O)c1ccc(Cl)cc1I)[C@H]1CCCCC[C@H]1Br 2365581445 GBAAZLQFTUNRDP-OCCSQVGLSA-N 470.576 5.113 50 10 JKGE Cc1sc(Br)c(C)c1[C@@H](Br)CCc1cc(Cl)cc(Cl)c1 2366800391 ZRLOSBNPQBNOCB-ZDUSSCGKSA-N 457.058 7.503 50 10 JKGE Cc1cc(Br)c([C@@H](Br)C23CC(C[C@H](C)O2)C3)c(C)c1Br 2368040440 UGBHOLNGSPEUCW-PSUFHBMQSA-N 467.039 6.222 50 10 JKGE BrC[C@H]1C[C@@H]2C[C@H](C1)CN(Cc1ccc(Br)cc1Br)C2 2369264626 JNPMOJDSGSEUQT-CLLJXQQHSA-N 466.055 5.455 50 10 JKGE CN(C(=O)OC(C)(C)C)C1CCC2(CCCN2C[C@@]2(CBr)CC2(F)F)CC1 2379986010 XAJLLUVZIMDBRZ-OBONGRFPSA-N 451.396 5.051 50 10 JKGE ClC[C@@H](Cc1cc(I)ccc1Cl)Cc1ccccc1Br 2380519056 JJHTUNOIVCSEKK-LLVKDONJSA-N 484.002 6.347 50 10 JKGE N#C/C(=C\c1ccccc1[N+](=O)[O-])c1nc(-c2cc3cc(Br)ccc3oc2=O)cs1 27474140 FPCHPYZBBUTQGZ-VGOFMYFVSA-N 480.299 5.651 50 10 JKGE CCCCCOc1ccc(/C=C(/C#N)C(=O)Nc2sc(C)c(C)c2C(=O)OC)cc1OC 33381624 JGLQCXHVYIJGON-PDGQHHTCSA-N 456.564 5.275 50 10 JKGE N#C/C(=C\c1ccc(-c2ccccc2[N+](=O)[O-])o1)C(=O)Nc1ccc(Cl)c(C(F)(F)F)c1 35518208 TVKFULJTRFUSDC-FMIVXFBMSA-N 461.783 6.073 50 10 JKGE COc1cccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)COc4ccc(C(C)(C)C)cc4)ccc32)c1 38650208 KRWKAGQQUFDPAV-MHZLTWQESA-N 484.552 5.195 50 10 JKGE Cc1c(C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@@H]3c2ccc(C(C)C)cc2)oc2ccc(Cl)cc12 38687077 ZDKDDHQQUIVKJC-AREMUKBSSA-N 498.966 6.955 50 10 JKGE Cc1ccc(NC(=O)/C(C#N)=C/c2c(Oc3cccc(C)c3C)nc3c(C)cccn3c2=O)cc1C 39993082 IBWCHFZMDDMUMN-PXLXIMEGSA-N 478.552 5.575 50 10 JKGE Cc1cc(Oc2ncnc(NNC(=O)c3cccc4ccccc34)c2[N+](=O)[O-])cc(C)c1Cl 40658732 DIMULRDEQXZDNA-UHFFFAOYSA-N 463.881 5.357 50 10 JKGE Cc1cccc(C(=O)N/N=C2\CCCc3oc(C(=O)Nc4cccc(C(F)(F)F)c4)c(C)c32)c1 40811387 DQFHKGGXSQQOIO-NDZAJKAJSA-N 469.463 5.638 50 10 JKGE COc1cc(/C=N/NC(=O)CSc2ccc(C)cc2)ccc1OCc1c(Cl)cccc1Cl 40961819 YQWBNWLTTALKFL-UVHMKAGCSA-N 489.424 6.132 50 10 JKGE COc1cc(/C=C(\C#N)C(=O)Nc2cccc(C)c2)ccc1Oc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] 59432806 YPDRLGQEJDIXKF-GZTJUZNOSA-N 474.429 5.158 50 10 JKGE Brc1ccc([C@H](Br)c2ccccc2I)s1 71102908 FLPAGDVVZAJQEG-LLVKDONJSA-N 457.956 5.600 50 10 JKGE CCCCC1CCC(C(=O)Nc2ccc(C[C@@H](Br)CC(C)C)cc2OCC)CC1 71436864 VIUQEZGVBOZYEH-VTLFHKLASA-N 466.504 7.373 50 10 JKGE C/C(=N/NC(=O)c1cccc(S(=O)(=O)Nc2ccccc2Cl)c1)c1ccc2ccccc2c1 89262808 RAMOYECDHZOEQJ-PKAZHMFMSA-N 477.973 5.448 50 10 JKGE COC(=O)c1ccc(C(=O)OC)c(N/C=C(/C#N)c2nc(-c3ccc(Br)cc3)cs2)c1 102418395 QCWARMWSLDGBNH-PTNGSMBKSA-N 498.358 5.122 50 10 JKGE CCOC(=O)c1c(N/C=C(/C#N)c2nc(-c3cccc4ccccc34)cs2)sc2c1CCCC2 102454275 KQDPDNDXPXGFMR-SDXDJHTJSA-N 485.634 7.057 50 10 JKGE CCCOc1ccc(-c2nn(-c3ccccc3)cc2/C=C(/C#N)C(=O)NC2CCCCC2)cc1 102858389 AVPSXOPDCWHQHO-PYCFMQQDSA-N 454.574 5.684 50 10 JKGE Clc1cc2c(cc1[C@@H](Br)c1ccccc1I)OCCCO2 109866406 DRNJTNTZSKESKN-INIZCTEOSA-N 479.539 5.590 50 10 JKGE BrCc1cccc(Br)c1OCCOc1cccc(Br)c1 110378530 YLXUQKVWQQHVFR-UHFFFAOYSA-N 464.979 5.564 50 10 JKGE Brc1cc2c(cc1[C@H](Br)c1sccc1Br)OCCO2 111536493 XSFNBXZYSZEJRL-LBPRGKRZSA-N 468.992 5.529 50 10 JKGE COc1ccccc1CC(CBr)(CBr)c1cccc(Br)c1 118878658 NZUCMPOOQPYINJ-UHFFFAOYSA-N 477.034 5.728 50 10 JKGE Cc1ccc(CC(CBr)(CBr)c2ccccc2Br)cc1 118878919 FRIFMZZDRKOPCQ-UHFFFAOYSA-N 461.035 6.028 50 10 JKGE Fc1cc(Br)cc(CC(CBr)(CBr)c2cccc(F)c2)c1 125125272 OXCBFWSNJIVZJY-UHFFFAOYSA-N 482.988 5.998 50 10 JKGE Fc1ccc(CC(CBr)(CBr)C2CCCC2)c(Br)c1 128726727 AHYCBWOCWJHHLQ-UHFFFAOYSA-N 457.019 6.097 50 10 JKGE COc1cc([C@H](Br)c2cc(Br)sc2Br)ccc1F 134214152 PCIKQRCNGISOHR-NSHDSACASA-N 458.972 5.905 50 10 JKGE CCOc1cc(/C=N\NC(=O)c2nc(-c3ccccc3)sc2C)cc(Cl)c1OC(C)C 169927225 OGJYZTJYYOZFGW-MXAYSNPKSA-N 457.983 5.722 50 10 JKGE COc1ccc([C@H](Br)c2ccc(Cl)cc2Cl)c(OC)c1Br 224850635 CLEGLLYBGZQHHO-CYBMUJFWSA-N 454.973 6.257 50 10 JKGE Fc1ccc(C(F)(F)F)cc1[C@H](Br)c1cc(Br)c(Cl)s1 227848576 JPWWJTLNYYZUHI-JTQLQIEISA-N 452.492 6.806 50 10 JKGE Cc1ccc([C@H](Br)c2cc(Br)c(Cl)s2)cc1Br 227849182 DISFUDRRIVCTOE-NSHDSACASA-N 459.428 6.719 50 10 JKGE O=[N+]([O-])c1cccc(Oc2ccc(CBr)cc2Br)c1Br 232487085 PGIJQHLNPTYTMY-UHFFFAOYSA-N 465.923 5.807 50 10 JKGE COc1ccc(C)cc1[C@@H](Br)c1cc(Cl)ccc1I 234840816 URBVJSDFTYEBFY-HNNXBMFYSA-N 451.529 5.746 50 10 JKGE O=C(NN=C1CCCCc2ccccc21)c1cccc(S(=O)(=O)Nc2ccccc2Cl)c1 254824619 MZMPVEPMTDBKTC-UHFFFAOYSA-N 467.978 5.001 50 10 JKGE CCOc1ccc(-n2c(SCC(=O)NN=C/C(C)=C\c3ccccc3)nnc2-c2ccccc2)cc1 254833347 NRSZIOPFLQWCRF-ASQJHCOFSA-N 497.624 5.631 50 10 JKGE Cc1ccccc1C=NNC(=O)CSc1nnc(SCc2cccc3ccccc23)s1 254843324 LQPLGPMKZZABQY-UHFFFAOYSA-N 464.641 5.534 50 10 JKGE CCCCOc1ccc(-c2cc(C(=O)NN=Cc3cccc(OC)c3)c3ccccc3n2)cc1 254868110 KPVLRUNQNBCYPJ-UHFFFAOYSA-N 453.542 5.853 50 10 JKGE CCCC[C@H](CC)CO[C@]1(CI)CCCN(C(=O)OC(C)(C)C)C1 303740676 BZCQMNXTKQYROO-LPHOPBHVSA-N 453.405 5.424 50 10 JKGE Cl[C@@H](c1ccc(Br)cc1Br)c1cc2c(cc1Br)OCC2 308437466 RMYBJJZZKMINAU-HNNXBMFYSA-N 481.409 6.237 50 10 JKGE O=S(=O)(c1ccc(CCl)cc1Br)N(Cc1ccccc1)Cc1ccccc1 309584703 UIWLAKVELKNXLS-UHFFFAOYSA-N 464.812 5.579 50 10 JKGE Cc1cc([C@H](Br)c2sccc2I)c(C)cc1Br 310096540 LSMRBEWTPOQPMW-LBPRGKRZSA-N 486.010 6.216 50 10 JKGE ClCc1nc2cc(I)ccc2n1-c1cccc(OCc2ccccc2)c1 311583197 DGNNUNRSHZOMBV-UHFFFAOYSA-N 474.729 5.948 50 10 JKGE FC(F)(F)Oc1cccc([C@H](Br)c2cc(Cl)c(Br)s2)c1 380209036 GQLCKJDTAOFZBU-JTQLQIEISA-N 450.501 6.547 50 10 JKGE C[C@H]1CN(Cc2ccccc2)CC[C@@H]1n1c(CCl)nc2cc(Br)c(F)cc21 397948463 JUDKAZRYIREIJY-LIRRHRJNSA-N 450.783 5.760 50 10 JKGE C[C@H](CC(F)(F)F)CC(CBr)(CBr)c1ccc(Br)cc1 402874772 BVCIMOZWMCITDT-JTQLQIEISA-N 480.988 6.455 50 10 JKGE CC(C)(C)[Si](C)(C)OC[C@@H]1OC=C[C@H](O[Si](C)(C)C(C)(C)C)[C@@H]1OCc1ccccc1 504292134 CZGTZYNJABAJPH-VABKMULXSA-N 464.795 6.897 50 10 JKGE CC(C)(C)OC(=O)N1C[C@@H](c2cccc(CCO[Si](C)(C)C(C)(C)C)c2)Nc2ccccc21 616690838 TVHBJHQJBRBEDV-QHCPKHFHSA-N 468.714 7.159 50 10 JKGE C[C@@H](COCc1ccccc1)CC(CBr)(CBr)c1ccccc1Cl 719440491 PDIMWNAERNZGOS-MRXNPFEDSA-N 474.664 6.611 50 10 JKGE C[C@@H](Cl)c1nc2cc(I)ccc2n1[C@H]1CN(Cc2ccccc2)CC1(C)C 720702280 JOYVVMIEGJXTAH-QRWLVFNGSA-N 493.820 6.024 50 10 JKGE Brc1cc([C@H](Br)Cc2ccccn2)ccc1I 721512240 WHRRNAOUHMIMRV-LLVKDONJSA-N 466.942 5.127 50 10 JKGE Fc1ccc(C[C@H](Cl)c2ccc(I)c(Br)c2)c(F)c1 721574464 YFFJATUYLBADLU-LBPRGKRZSA-N 457.483 5.855 50 10 JKGE Fc1cccc([C@H](Cl)c2cc3c(cc2Br)OCC3)c1I 721720137 SEXCWHNYFAGVLA-AWEZNQCLSA-N 467.503 5.456 50 10 JKGE Cc1cccc(NC(=O)Cn2cc(C=NNC(=O)c3cc4ccccc4o3)c3ccccc32)c1 1084367517 RSKYEVZFJMTWDR-UHFFFAOYSA-N 450.498 5.099 50 10 JKGE COc1cc(C=NNC(=O)CC[C@@H](O)c2ccccc2)cc(Cl)c1OCc1ccc(C)cc1 1084401766 BKRSJNSNOOUHOQ-HSZRJFAPSA-N 466.965 5.200 50 10 JKGE C=CCc1cc(C=NNC(=O)CC[C@@H](O)c2ccc(OCC)cc2)ccc1OCc1cccc(C)c1 1084533666 ROSRJEMACWMTLT-MUUNZHRXSA-N 486.612 5.665 50 10 JKGE COc1ccc(C(=O)NN=C(C)c2ccc3c(c2)[C@@H]2C=CC[C@H]2[C@H](c2ccccc2)N3)cc1OC 1565518692 CAZZKCDHLCNPCX-MRJKTFCFSA-N 467.569 5.684 50 10 JKGE Cc1ccc2c(CC(=O)NN=C3CCCc4oc(C(=O)Nc5nccs5)c(C)c43)coc2c1C 1772752181 XBQAPPGJTYWXMI-UHFFFAOYSA-N 476.558 5.059 50 10 JKGE COc1ccc(-c2nn(CC(C)C)c3c2[C@H](c2ccc(Cl)c(Cl)c2)C(C#N)=C(N)O3)cc1 1865685029 CLLNIKIQZXBXQF-HXUWFJFHSA-N 469.372 5.740 50 10 JKGE N#CC1=C(N)Oc2c(c(C(F)(F)F)nn2Cc2ccc(Cl)cc2)[C@@H]1c1ccccc1Cl 1865685535 KALLPORDOYSBMJ-MRXNPFEDSA-N 465.262 5.475 50 10 JKGE CCCc1nn(-c2ccc(C)cc2)c2c1[C@H](c1ccc(OCc3ccccc3)cc1)C(C#N)=C(N)O2 1865690590 WKULRRTWHUIFBS-HHHXNRCGSA-N 476.580 5.930 50 10 JKGE CCCOc1cccc([C@@H]2C(C#N)=C(N)Oc3c2c(-c2ccc(OC)cc2)nn3-c2ccc(C)cc2)c1 1865692507 BYFININFXNMSIV-AREMUKBSSA-N 492.579 5.863 50 10 JKGE CCCc1nn(Cc2ccccc2)c2c1[C@H](c1ccc(OCc3ccc(C)cc3)cc1)C(C#N)=C(N)O2 1865694597 ZUWZSZPQCMMVSF-MUUNZHRXSA-N 490.607 5.990 50 10 JKGE N#CC1=C(N)Oc2c(c(C(F)(F)F)nn2Cc2c(F)cccc2Cl)[C@H]1c1cccs1 1865697941 GKVRSCXNJZWTRY-CQSZACIVSA-N 454.836 5.022 50 10 JKGE Cc1ccsc1[C@@H]1C(C#N)=C(N)Oc2c1c(-c1ccccc1)nn2-c1ccc(Br)cc1 1865699119 LESATTYKZVVNLM-LJQANCHMSA-N 489.398 5.890 50 10 JKGE CCCn1nc(C)c2c1OC(N)=C(C#N)[C@H]2c1ccc(OCc2ccc(Cl)cc2)c(OC)c1 1865700668 AQQBMWSSQGPWOX-HSZRJFAPSA-N 464.953 5.061 50 10 JKGE CCc1nn(CC)c2c1[C@H](c1c(OCc3ccccc3)ccc3ccccc13)C(C#N)=C(N)O2 1865703937 JAGGEWLODZPJQK-VWLOTQADSA-N 450.542 5.416 50 10 JKGE CCCc1nn(Cc2cc(C)ccc2C)c2c1[C@H](c1ccccc1OC(C)C)C(C#N)=C(N)O2 1865705272 QHKGQOXVHLZJSB-RUZDIDTESA-N 456.590 5.506 50 10 JKGE Cc1nc(-c2ccc(F)cc2F)ccc1C(=O)NNC(=O)CC(c1ccccc1)c1ccccc1 1865759617 JWJBKUVFGCUBNM-UHFFFAOYSA-N 471.507 5.318 50 10 JKGE CSCC[C@@H](NC(=O)C[C@@H](c1ccc(F)c(C)c1)C(C)C)C(=O)Nc1ccc(SC#N)cc1 1866766250 LOHXMGBNIQLNEP-FYYLOGMGSA-N 487.666 5.714 50 10 JKGE CC(C)c1nc(Nc2ccc(SC#N)cc2)cc(N2CCN([C@@H](C)c3cccs3)CC2)n1 1868231298 BPWWVTDAMFYLGE-SFHVURJKSA-N 464.664 5.861 50 10 JKGE COc1ccc(N(C)c2cc(Nc3ccc(SC#N)cc3)nc(-c3ccc(C)cc3)n2)cc1OC 1868320952 RBVHHEPGBKUNHZ-UHFFFAOYSA-N 483.597 6.554 50 10 JKGE CCOc1cc(/C=C(\C#N)n2cnc3ccccc32)ccc1OCc1c(Cl)cccc1Cl 1872727246 JBKRKDHVZOFRDN-LDADJPATSA-N 464.352 6.842 50 10 JKGE COc1cccc(/C=C(\C#N)c2cc3c(cc2[N+](=O)[O-])OCCO3)c1OCc1cccc(C)c1 1872728414 AMQYTXUOOYVAQM-UDWIEESQSA-N 458.470 5.326 50 10 JKGE CCCCc1ccc(N2C[C@@H](/C(O)=C(\C#N)c3nc(-c4ccccc4OC)cs3)CC2=O)cc1 1872747204 RVVFQDZNUKSZLI-HMWBEYIWSA-N 473.598 6.007 50 10 JKGE CC(C)(C)c1ccc(-c2csc(/C(C#N)=C(\O)c3c(Cl)ccc(Cl)c3Cl)n2)cc1 1872751051 RFXKFCYZMTUUPQ-ZHZULCJRSA-N 463.817 8.018 50 10 JKGE CC(C)c1ccc(-c2csc(/C(C#N)=C(\O)c3ccccc3C(=O)c3ccccc3)n2)cc1 1872752299 VOMNJUZKDSWQPO-PNHLSOANSA-N 450.563 7.114 50 10 JKGE CCc1cccc(C)c1N1C[C@H](/C(O)=C(\C#N)c2nc(-c3cc(C(C)(C)C)ccc3C)cs2)CC1=O 1872756115 RSUMSTKDVNALSW-OKPNVDCHSA-N 499.680 7.133 50 10 JKGE N#C/C(=C\c1ccccc1OCc1ccc(Cl)cc1)c1nc(-c2ccc3ccccc3c2)cs1 1872782495 IQZHUUKEEKRQGY-PCLIKHOPSA-N 479.004 8.260 50 10 JKGE CC(C)(C)OC(=O)N[C@H](CBr)[C@H]1CCCC[C@]12CCN(C(=O)OC(C)(C)C)C2 1885093027 JZVBOOUPLDBKOB-WHSLLNHNSA-N 461.441 5.092 50 10 JKGE Cc1cc([C@H](Br)c2sc(Cl)cc2I)oc1Br 1900924761 PNSXWQSGSOYNHX-QMMMGPOBSA-N 496.389 6.154 50 10 JKGE CCc1nn(CC)c(CN(Cc2ccccc2)[C@@H](C)CCBr)c1Br 1915114768 IRCHPPKFQQSRPK-HNNXBMFYSA-N 457.254 5.404 50 10 JKGE Cc1c(Br)sc([C@H](Br)[C@H]2C[C@@H]3O[C@H]2[C@H]2C[C@@H]32)c1Br 1922921301 PLEICGJXKACFQF-VVFWKQLBSA-N 457.025 5.441 50 10 JKGE CC1(CC[C@H](Br)c2c(Br)sc(Br)c2Cl)CC1 1923066699 TXZZXNZGHJHJJU-LURJTMIESA-N 451.449 6.943 50 10 JKGE Fc1ccccc1[C@H](Br)c1c(Br)sc(Br)c1Cl 1923071550 JJLUHVSNKUGFDM-QMMMGPOBSA-N 463.391 6.550 50 10 JKGE C[C@@]1([C@@H](Br)c2c(Br)sc(Br)c2Cl)CC1(F)F 1923074480 MXNPAFBJVVNYBB-XNCJUZBTSA-N 459.375 6.408 50 10 JKGE CCc1ccc([C@H](Cl)c2c(Br)sc(Br)c2Br)o1 1924584265 VTWITOGBENWUPQ-VIFPVBQESA-N 463.416 6.519 50 10 JKGE O=C(Nc1ccc(F)c(CBr)c1)c1cc(Cl)ccc1I 1924874991 GBGAIMZORHACOW-UHFFFAOYSA-N 468.491 5.231 50 10 JKGE Cc1cc(Br)sc1[C@H](Cl)c1csc(Br)c1Br 1939455386 DZHDZMURPHYPHH-MRVPVSSYSA-N 465.457 6.734 50 10 JKGE CC(C)(C)OC(=O)NC[C@@H]1CCCC2(CCC2)[C@@H]1[C@@H](CBr)NC(=O)OC(C)(C)C 1975071324 LSBQLPGKFDMQGG-BBWFWOEESA-N 475.468 5.386 50 10 JKGE COC1CC(C[C@@H](Br)c2c(Br)sc(Br)c2Cl)C1 2002407810 IMKVYFZURCGPNY-KPGICGJXSA-N 467.448 6.178 50 10 JKGE N#CC(C(=O)CSc1nnc(-c2ccccc2)n1-c1ccccc1)=C1Nc2ccccc2S1 2040424933 LDUZFMHQJOBDEP-UHFFFAOYSA-N 467.579 5.548 50 10 JKGE CN(Cc1ccccc1)C1CCN(c2cc(Br)cc(F)c2CBr)CC1 2051133366 PCVRZRJPSGOBGZ-UHFFFAOYSA-N 470.224 5.584 50 10 JKGE CC(C)(CBr)c1cc(-c2ccc(OCc3ccccc3)c(OCc3ccccc3)c2)no1 2071252150 LRTDRXSOJGFZHB-UHFFFAOYSA-N 492.413 7.172 50 10 JKGE COc1cc([C@@H](Cl)c2cc(Br)c(Br)s2)ccc1Br 2072060250 BCVZNBVLUOGRIU-LLVKDONJSA-N 475.427 6.372 50 10 JKGE Cc1cc(Br)c(C)c([C@H](Cl)c2sccc2Br)c1Br 2081063076 WUHLCDNERZCAPP-LBPRGKRZSA-N 473.455 6.981 50 10 JKGE CCc1nc([C@@H](Br)c2c(Br)sc(C)c2C)c(Br)s1 2082871428 QMLXDZJSSRNWPB-VIFPVBQESA-N 474.081 6.393 50 10 JKGE Fc1ccc(F)c([C@@H](Br)c2c(Br)sc(Br)c2Cl)c1 2083094603 DSTMICJEBVJGMR-MRVPVSSYSA-N 481.381 6.689 50 10 JKGE COc1ccc([C@@H](Br)c2cc(I)sn2)c(Cl)c1Cl 2083137995 CXZNCGYLUGKCGP-SECBINFHSA-N 478.964 5.547 50 10 JKGE Brc1cc([C@@H](Br)c2cccc3c2CCCC3)sc1Br 2090202071 YDSQOAXECHBWBJ-AWEZNQCLSA-N 465.048 6.636 50 10 JKGE CC1(C)CCN(Cc2cc(Cl)ccc2I)C[C@@H]1CBr 2092250229 CQNZLFVGTQTDBV-LBPRGKRZSA-N 456.593 5.188 50 10 JKGE Brc1cccc(CN2C[C@H]3C[C@H](Br)CC[C@H]3C2)c1Br 2092328397 LDACIJTVJFHOPO-CYZMBNFOSA-N 452.028 5.207 50 10 JKGE CCCCCCCCCC[C@@H](Br)c1cc(Br)c(Br)s1 2108243653 MTICTTFQJSQQBI-GFCCVEGCSA-N 475.128 8.240 50 10 JKGE CCOc1cc(Br)c([C@@H](Br)C2(Br)CC2)cc1OCC 2111889199 BZMFPKYBJASDJF-CYBMUJFWSA-N 457.000 5.610 50 10 JKGE CC(C)(C)N1C[C@H](Cc2cc(Br)ccc2Br)[C@@H](Br)C1 2118529187 BYPTYMOOVVADOB-FZMZJTMJSA-N 454.044 5.248 50 10 JKGE C[C@H](Br)C[C@H]1CCCCN1Cc1cc(Br)ccc1Br 2118535546 VNGQXYVYKKZCDC-SMDDNHRTSA-N 454.044 5.740 50 10 JKGE Cc1cc(Br)c(C)c([C@@H](Cl)c2cc(Cl)c(Cl)s2)c1Br 2136369023 ZSCKYINJMLMMFG-LBPRGKRZSA-N 463.449 7.525 50 10 JKGE Cc1cc(Br)c(C)c([C@@H](Br)[C@@H]2C(F)(F)C23CC3)c1Br 2136374301 KUCQXAXCTMYSLL-NEPJUHHUSA-N 458.966 6.310 50 10 JKGE Cc1cc([C@H](Br)c2c(C)c(Br)cc(C)c2Br)c(C)o1 2136379021 HHVVCHRAXQOPQW-HNNXBMFYSA-N 450.996 6.523 50 10 JKGE COC[C@@H]1CC[C@@H]([C@H](Br)c2ccc(Br)c(C)c2Br)C1 2138852765 OPNDCVMKXYIKLD-HFAKWTLXSA-N 455.028 6.019 50 10 JKGE Cc1c(Br)ccc([C@@H](Br)CC(F)(F)C(F)(F)F)c1Br 2138860496 BIZYEZGGMVLTCQ-QMMMGPOBSA-N 474.887 6.544 50 10 JKGE Cc1c(Br)ccc([C@H](Br)C2C[C@H]3[C@H](C2)C3(C)C)c1Br 2138862014 IEGACDDTOKZKCQ-SLEUVZQESA-N 451.040 6.638 50 10 JKGE Fc1cc(C[C@H](Br)c2cccc(Br)c2)cc(F)c1Br 2142266428 WHRGCVANSDMHKN-NSHDSACASA-N 454.934 6.169 50 10 JKGE Cn1nc(C[C@H](CBr)Cc2ccc(Br)cc2)c(Br)c1Cl 2152982126 WBQZQGKZEWCORK-SNVBAGLBSA-N 485.445 5.395 50 10 JKGE Cc1cc(Br)c([C@@H](Br)[C@H]2C(F)(F)C23CCCC3)cc1Br 2153707454 HMMDHZUGICTMQU-CHWSQXEVSA-N 472.993 6.782 50 10 JKGE Clc1c(Br)ccc(CBr)c1N1CCc2ccc(Br)cc21 2154365060 MFRFYQUGAPGNIZ-UHFFFAOYSA-N 480.425 6.454 50 10 JKGE N#Cc1cc(Br)ccc1Oc1c(CBr)ccc(Br)c1Cl 2154376556 VRUPMXDVZZMCOD-UHFFFAOYSA-N 480.381 6.424 50 10 JKGE FC(F)(F)Oc1ccc([C@@H](Br)c2ccc(Br)s2)cc1Cl 2163399964 ZOJTVEOEHNKULY-LLVKDONJSA-N 450.501 6.547 50 10 JKGE FC1(F)CN(Cc2ccccc2)CCCCN(c2ccc(Cl)cc2CBr)C1 2164875665 RTFONQKWSAASMG-UHFFFAOYSA-N 457.790 5.973 50 10 JKGE COc1ccc(Br)cc1[C@H](Br)c1cc(Cl)c(C)c(Br)c1 2167387013 BQGKLTKOZDZPAV-OAHLLOKOSA-N 483.425 6.666 50 10 JKGE CCc1nc([C@H](Cl)c2cc(I)cc3c2OCC3)c(Br)s1 2169488338 PVRZOQGNDIFIMB-LLVKDONJSA-N 484.584 5.336 50 10 JKGE F[C@@H](C(F)(F)F)C(F)(F)Oc1c(Br)cc(Cl)cc1CBr 2175183975 SKXMENAZXNGDOL-QMMMGPOBSA-N 450.398 5.869 50 10 JKGE Cc1cc(Br)c([C@@H](Br)C23CC(C)(C2)OC3(C)C)cc1Br 2178382118 CALYFJUPMHLWRI-IUDNXUCKSA-N 467.039 6.304 50 10 JKGE BrCC1(Cc2cc(Br)ccc2Br)CC2(C1)CC21CCC1 2183927032 NSPDZDUOBIXBBR-UHFFFAOYSA-N 463.051 6.490 50 10 JKGE Cc1cc(Br)c(C)c([C@H](Br)[C@@H]2C[C@@]23CCCOC3)c1Br 2201068077 DBPQVZLAJSQCKB-IUIKQTSFSA-N 467.039 6.081 50 10 JKGE Fc1ccc(CO[C@@H](CBr)c2ccccc2Br)c(Br)c1 2206267108 OLTUZLXFKKKCGH-HNNXBMFYSA-N 466.970 6.004 50 10 JKGE C[C@@H]1COc2ccc([C@H](Cl)c3ccc(Br)cc3I)cc21 2207260927 RZVITCZESRGTCO-ABKXIKBNSA-N 463.540 5.878 50 10 JKGE Clc1cc(CN2CC3(CCCC3)C[C@@H]2CBr)ccc1I 2208037528 XIBRDZDPIIXTEZ-CYBMUJFWSA-N 468.604 5.474 50 10 JKGE Clc1cc(Br)c([C@@H](Cl)c2sncc2Br)c(Cl)c1Cl 2217612649 GZNNJKQPNROUHN-SECBINFHSA-N 470.828 6.957 50 10 JKGE CC(C)([C@H](Br)c1cc(Br)c(Br)cc1F)C(F)(F)F 2218598730 VWYHOPBFNNYWAT-SECBINFHSA-N 456.897 6.375 50 10 JKGE O=C(c1scc(Br)c1Br)N1CCC[C@@H](CCCBr)C1 2225820253 YZUIOJCWTDXHJP-SECBINFHSA-N 474.056 5.300 50 10 JKGE C[C@H]1OC2(C)CC1([C@H](Br)c1c(Br)cc(Cl)c(Cl)c1Cl)C2 2232525229 BUISWRORWNGHQY-HJVQQPMZSA-N 463.424 6.803 50 10 JKGE C[C@@H]1[C@@H](n2c(CCCl)nc3c(F)cc(Br)cc32)CCN1Cc1ccccc1 2232922316 VZWFXZUUHHVVTM-KDOFPFPSSA-N 450.783 5.555 50 10 JKGE Clc1ccc(CO[C@H](CI)c2cccc(Br)c2)c(Cl)c1 2239709082 NZFWSVAKMOAOJK-OAHLLOKOSA-N 485.974 6.449 50 10 JKGE CCN(C[C@@](C)(CI)OCC12CC3CC(CC(C3)C1)C2)C(=O)OC(C)(C)C 2240698540 MRJNLPXYSXSJGK-HUFQKIGGSA-N 491.454 5.670 50 10 JKGE Cc1sc([C@@H](Br)c2cc(Br)ccc2F)c(Br)c1C 2253506777 ZSAZZWRPHWFWFW-LBPRGKRZSA-N 457.000 6.513 50 10 JKGE Cc1cc(F)c(Br)cc1[C@H](Cl)c1cc(Br)sc1Br 2258096275 SABDYSKPCFGMFJ-NSHDSACASA-N 477.418 6.811 50 10 JKGE CSCC1(COc2c(Br)cc(Br)cc2CBr)CCC1 2273924047 DOSDTWVGGLMDGU-UHFFFAOYSA-N 473.068 6.019 50 10 JKGE Cc1cc(C(F)(F)F)sc1[C@@H](Br)c1cc(Br)c(Br)s1 2277702660 ATRZYVPURQZZPR-QMMMGPOBSA-N 499.009 7.146 50 10 JKGE FC12CCC([C@H](Br)Cc3cc(Br)cc(Br)c3)(CC1)C2 2277953848 CAGOTXFCVKTYCK-WLYUNCDWSA-N 455.003 6.190 50 10 JKGE Clc1ccc([C@@H](Br)c2ccc3c(c2)CCCC3)cc1I 2283586201 HLFYKJYEJUDQIE-KRWDZBQOSA-N 461.568 6.308 50 10 JKGE Cc1c(Br)cccc1CO[C@@H](CI)c1ccccc1Cl 2283652275 SBWNNRAWIUDODP-INIZCTEOSA-N 465.556 6.104 50 10 JKGE FC(F)[C@@H]1CCC[C@H]1[C@@H](Br)c1c(Br)cc(Cl)c(Cl)c1Cl 2285683774 UGTCWJYUHBTAKP-OXOINMOOSA-N 471.394 7.527 50 10 JKGE COc1ccc(Br)c2c1nc([C@@H](C)Cl)n2C[C@@H](C)COCc1ccccc1 2286082821 JFFACPNABZXFLF-HUUCEWRRSA-N 451.792 5.960 50 10 JKGE Cc1cc([C@H](Br)c2c(F)cc(Br)c(F)c2Br)ccc1F 2288373228 GWBSHSHAJGVREW-LBPRGKRZSA-N 472.924 6.422 50 10 JKGE C[C@@H]1O[C@H](C)[C@H]([C@@H](Br)c2c(F)cc(Br)c(F)c2Br)[C@H]1C 2288375199 BDJUWUVLKLAWOF-YLYRHLFOSA-N 476.981 5.985 50 10 JKGE COc1c(Br)cc(Cl)c(C)c1[C@@H](Cl)c1c(C)nsc1Br 2295266506 AXDAGGPSWZTMCO-LLVKDONJSA-N 460.018 6.275 50 10 JKGE COc1c(Br)cc(Cl)cc1[C@@H](Cl)c1sc(C)c(C)c1Br 2295356476 BJKLCIBFJCHDJC-GFCCVEGCSA-N 459.030 6.880 50 10 JKGE Cc1ccc(CBr)cc1NS(=O)(=O)c1cc(Cl)c(Br)s1 2296211368 ROWYCEZHUAJCQT-UHFFFAOYSA-N 459.612 5.168 50 10 JKGE Cc1ccc(N2C(=O)[C@H](Cc3cccc(Cl)c3)SC2=C(C#N)C(=O)Nc2ccc(F)cc2)cc1 2296641266 BUWQDXVDDXJDML-QHCPKHFHSA-N 491.975 5.853 50 10 JKGE CCOc1ccccc1NC(SCc1cccc(F)c1)=C(C#N)C(=O)NCc1ccccc1 2297414521 AZXZLNSKGILNHD-UHFFFAOYSA-N 461.562 5.621 50 10 JKGE N#CC(C(=O)Nc1ccc(F)cc1)=C1S[C@@H](Cc2ccc(F)cc2)C(=O)N1c1ccc(Cl)cc1 2297467752 BPTPCFPVSLOOFK-QFIPXVFZSA-N 495.938 5.683 50 10 JKGE CCOc1cc(C=C(C#N)C(=O)NCc2ccco2)cc(Cl)c1OCCOc1cccc(OC)c1 2297500184 QMARYUPMDCFWTR-UHFFFAOYSA-N 496.947 5.021 50 10 JKGE CC1=CCCC(C)(C)[C@H]1C=CC(C)=NNC(=O)[C@H](Oc1ccc([N+](=O)[O-])cc1)c1ccccc1 2297672094 DALOJSKOXGMURY-LOSJGSFVSA-N 461.562 6.146 50 10 JKGE Brc1cc(OCc2ccccc2)ccc1[C@H](Br)[C@H]1C[C@@H]2CC[C@H]1O2 2299504507 NTGDTIRBHURDRG-UUXHPUJUSA-N 452.186 6.032 50 10 JKGE Cc1scc([C@H](Cl)c2cc(Br)ccc2Br)c1Br 2303644547 SEGMXJTXJJUIIZ-GFCCVEGCSA-N 459.428 6.672 50 10 JKGE CCOc1cc(C=C(C#N)C(=O)Nc2ccc(Cl)cc2)cc(I)c1OCC 2313518411 AZKXZRMSOJOAFD-UHFFFAOYSA-N 496.732 5.288 50 10 JKGE Cc1c(C=C(C#N)C(=O)N2CCN(c3ccccc3)CC2)c2ccccc2n1Cc1ccccc1C#N 2313567546 LJVKORDAENKIMG-UHFFFAOYSA-N 485.591 5.125 50 10 JKGE N#CC(=Cc1cc(Br)ccc1OCc1cccc(F)c1)C(=O)Nc1cccc([N+](=O)[O-])c1 2313724484 BGWRQQHVCUJBQL-UHFFFAOYSA-N 496.292 5.621 50 10 JKGE COc1cccc(NC(=O)C(C#N)=Cc2c(Oc3ccccc3Cl)nc3c(C)cccn3c2=O)c1 2314532073 GFBWAIPVWLGPCZ-UHFFFAOYSA-N 486.915 5.003 50 10 JKGE Cc1ccc(C[C@H]2SC(=C(C#N)C(=O)NCc3ccccc3)N(c3ccc(C)c(C)c3)C2=O)cc1C 2314592970 FELDCCBVZQUQTR-HHHXNRCGSA-N 495.648 5.663 50 10 JKGE CCOc1ccc(-c2nn(-c3ccccc3)cc2C=C2C(=O)N([C@H](C)CC)C(=O)C(C#N)=C2C)c(C)c1 2314610013 BWSOMKISMLLOSZ-HXUWFJFHSA-N 494.595 5.637 50 10 JKGE CC(C)c1ccc(C=C(C#N)C(=O)Oc2ccc(C=C(C#N)C(=O)NCc3ccco3)cc2)cc1 2314754593 WJKRRFQJVNWGSH-UHFFFAOYSA-N 465.509 5.139 50 10 JKGE Cc1ccc(OCC(=O)Oc2ccc(C=C(C#N)C(=O)NCc3ccco3)cc2)c(C(C)(C)C)c1 2314755007 MYBDBMJKIJJKPK-UHFFFAOYSA-N 472.541 5.093 50 10 JKGE CC12CC(C1)[C@@H]([C@@H](Br)c1ccc(OCc3ccccc3)cc1Br)CO2 2315920137 SJMDQUXIWXKVHJ-XDPAUIEISA-N 466.213 6.279 50 10 JKGE CC(C)c1cccc([C@@H](Br)c2sc(Br)cc2Br)c1 2320572332 UOZANDNPCXXJEV-CYBMUJFWSA-N 453.037 6.881 50 10 JKGE COc1ccc(Cc2nc3ccc(C(=O)NN=Cc4ccc(Cl)c(Cl)c4)cc3[nH]2)cc1 2323721039 HSUQTSZATFCBME-UHFFFAOYSA-N 453.329 5.233 50 10 JKGE C[C@]1(CBr)CCCN(Cc2ccc(I)c(Br)c2)C1 2325221845 IPOIIMIPFVSQCE-CQSZACIVSA-N 487.017 5.051 50 10 JKGE Cc1ccc(NC=C(C#N)C(=O)Nc2ccc(I)cc2C)cc1Cl 2325405734 JUFQIHWQMUNHBV-UHFFFAOYSA-N 451.695 5.020 50 10 JKGE CCCCc1ccc(-c2csc(C(C#N)=C(O)C(c3ccccc3)c3ccccc3)n2)cc1 2331255939 IPKMJDLVKXMSDI-UHFFFAOYSA-N 450.607 7.777 50 10 JKGE CC(C)(C)c1ccc(C(=O)NCC(O)=C(C#N)c2nc(-c3ccc(Cl)cc3)cs2)cc1 2331295859 MMSBZOPPAOWAMK-UHFFFAOYSA-N 451.979 5.984 50 10 JKGE CCOc1ccc(-c2csc(C(C#N)=C(O)CCCOc3ccc(Cl)cc3Cl)n2)cc1 2331305684 HTVUJQUSQJXGFP-UHFFFAOYSA-N 475.397 7.167 50 10 JKGE CN(C)c1ccc(C(O)=C(C#N)c2nc(-c3ccc(Oc4ccccc4)cc3)cs2)cc1[N+](=O)[O-] 2331360320 UXBNLKOZVGMBCA-UHFFFAOYSA-N 484.537 6.526 50 10 JKGE COc1cc(C=C(C#N)c2nc(-c3ccc4ccccc4c3)cs2)ccc1OCCN1CCOCC1 2331416177 SKHUKXXYJTXEMF-UHFFFAOYSA-N 497.620 5.747 50 10 JKGE Cc1ccc(COc2ccc(C=C(C#N)c3nc(-c4ccc(C(C)(C)C)cc4)cs3)cc2)cc1 2331453439 TWXYZXXORQOQQN-UHFFFAOYSA-N 464.634 8.059 50 10 JKGE COC(=O)c1c(NC(=O)[C@H](C)Oc2ccc(Cl)cc2Cl)sc(C(C)=CC#N)c1C 2331562116 GXSPOZJUWBEIDU-LBPRGKRZSA-N 453.347 5.483 50 10 JKGE Clc1ccc(CN2[C@H](CBr)CCC23CCC3)cc1I 2337218590 KGBRSQKIBBIBGF-LBPRGKRZSA-N 454.577 5.227 50 10 JKGE CC(C)(C)OC(=O)N1CCC(CI)(OC[C@@H]2C[C@H]3CCC[C@H]2CC3)CC1 2338898636 GPYFEPMEHMFSIG-BZSNNMDCSA-N 477.427 5.424 50 10 JKGE CCC[C@H](C(C)C)[C@@H](Br)c1c(C)cc(Br)c(F)c1Br 2339653111 GDDOBBUMMXKQFT-ZWNOBZJWSA-N 459.035 7.167 50 10 JKGE FC(F)(F)[C@]12C[C@]([C@H](Br)c3cc(Br)ccc3Br)(CO1)C2 2363843992 MQTNWAOGCVRUIT-IJLUTSLNSA-N 478.928 5.759 50 10 JKGE COc1c(Br)cc(C)c([C@H](Br)COCC(F)(F)F)c1Br 2365189427 VBHPGKFMLCGTDB-MRVPVSSYSA-N 484.932 5.544 50 10 JKGE Cc1cc(Br)c(F)c(Br)c1[C@@H](Br)[C@H]1C[C@@H]2CCC[C@@H]2C1 2365193055 FZVYAYHRIXOSNV-MIJXAVMKSA-N 469.030 6.921 50 10 JKGE COc1c(Br)cc(C)c([C@H](Br)C[C@@H]2CCO[C@@H]2C)c1Br 2365217485 FIOLWLDPFUPYMY-OUAUKWLOSA-N 471.027 5.780 50 10 JKGE COc1c(Br)cc(C)c([C@H](Br)[C@H]2CCCC[C@H]2C)c1Br 2365236305 OCFLADQABZSTLZ-OLUVUFQESA-N 469.055 6.791 50 10 JKGE Cl[C@@H]1CCCCCCCC[C@@H]1Cc1ccc(I)c(Br)c1 2377255580 RACNXVLSHSSZIX-GDBMZVCRSA-N 469.632 6.954 50 10 JKGE Cc1cc(Br)c(C(C)C)cc1[C@H](Br)c1cc(Br)c(C)s1 2380938871 DYKFVOFDUUEENA-INIZCTEOSA-N 481.091 7.498 50 10 JKGE COc1cc(/C=N/NC(=O)c2ccccc2F)cc(Br)c1OCc1ccccc1Cl 1950344 PCZOVXUXBXBYDX-RPPGKUMJSA-N 491.744 5.593 50 10 JKGE O=C(N/N=C/c1ccc(OC(=O)c2cccc3ccccc23)cc1)c1ccc(Br)cc1 2902902 NGJUCHBCGNHEOM-JVWAILMASA-N 473.326 5.585 50 10 JKGE COc1cc(/C=C(/C#N)c2ccc([N+](=O)[O-])cc2)ccc1OCCOc1ccc([N+](=O)[O-])cc1 16196232 MLGGFPBXMSUCNE-RGEXLXHISA-N 461.430 5.034 50 10 JKGE Cc1ccc(CCN(C(=O)CCl)[C@H](C(=O)N[C@@H]2CCCC[C@@H]2C)c2ccc(Cl)cc2)cc1 33910360 MIVNZEQGQXBYTJ-CYSDGLOUSA-N 475.460 5.695 50 10 JKGE C=CCNC(=O)/C(C#N)=C\c1cn(-c2ccccc2)nc1-c1ccc(OCc2ccccc2)cc1 34914139 ZGPMXNFQVFHTAQ-MOHJPFBDSA-N 460.537 5.327 50 10 JKGE CCCCCOc1ccc(C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@@H]3c2cccc(Cl)c2)cc1 38651199 FUEOERKAHYRDLI-AREMUKBSSA-N 488.971 6.346 50 10 JKGE Cc1cc(C)cc(OCC(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@H]3c2ccc(Cl)cc2)c1 38651390 OTYVNWDLIRTIJJ-VWLOTQADSA-N 460.917 5.159 50 10 JKGE CCc1ccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4ccc(C(C)(C)C)cc4)ccc32)cc1 38676789 JDTXHRUOFLRJJU-SANMLTNESA-N 452.554 5.984 50 10 JKGE CCCOc1cccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)[C@H](C)Oc4ccccc4F)ccc32)c1 38684444 IENOIMBFEJGRDX-MRDQGFSESA-N 488.515 5.206 50 10 JKGE CCOc1ccccc1[C@H]1C(C#N)=C(N)Oc2cc(OC(=O)c3oc4ccc(F)cc4c3C)ccc21 40530386 YBUOHOMTZAVZTJ-RUZDIDTESA-N 484.483 5.716 50 10 JKGE CCOc1cc(/C=C(/C#N)C(=O)Nc2ccc(C)cc2)ccc1OC(=O)c1ccc(Cl)cc1 59117688 SRGIXXMSBWPYQY-ZHZULCJRSA-N 460.917 5.812 50 10 JKGE COc1ccc(CN(C(=O)CCl)[C@@H](C(=O)NC2CCCCCC2)c2ccc(C)cc2)cc1 97914910 KVZHGSLAWPGVSS-RUZDIDTESA-N 457.014 5.151 50 10 JKGE CCCCCN1C(=O)C(C#N)=C(C)/C(=C\c2cn(-c3ccccc3)nc2-c2ccc(OC)cc2)C1=O 101333223 FXJKXGCPIGPOFG-KOEQRZSOSA-N 480.568 5.330 50 10 JKGE CCc1ccc(N/C(SCc2cccc([N+](=O)[O-])c2)=C(\C#N)C(=O)NCc2ccco2)cc1 105422953 CVVVPGDDJPJHAG-GYHWCHFESA-N 462.531 5.147 50 10 JKGE COc1cc(Br)c([C@@H](Br)c2cccc(Cl)c2Cl)cc1OC 109860344 FBZMFZIHGUDQER-AWEZNQCLSA-N 454.973 6.257 50 10 JKGE COc1cc(Br)c([C@H](Br)c2cccc(Br)c2C)cc1OC 115983547 QCSIXVWFURWWJZ-MRXNPFEDSA-N 479.006 6.022 50 10 JKGE Fc1ccc(Br)cc1[C@H](Cl)c1cc(Br)c(Br)s1 128153050 YZSOWEGVSCZPOG-JTQLQIEISA-N 463.391 6.503 50 10 JKGE CC(C)Oc1c(Br)cc(/C=N/NC(=O)Nc2ccccc2)cc1Br 169885195 JNEGOCQODFMTHH-KEBDBYFISA-N 455.150 5.154 50 10 JKGE CCCCNC(=O)/C(C#N)=C\c1ccc(OC(=O)COc2ccc(-c3ccccc3)cc2)cc1 207140164 DJOMNIZMHJFXOZ-MOHJPFBDSA-N 454.526 5.161 50 10 JKGE CCCCCCOc1ccc(/C=C(/C#N)C(=O)Oc2ccc(/C=C\C#N)cc2OC)cc1OC 207200078 BWELTRVPLFCNSF-HIARPEJZSA-N 460.530 5.712 50 10 JKGE CCCCOc1ccc(/C=C(/C#N)C(=O)Nc2nc(-c3ccc(OCC)cc3)c(C)s2)cc1 207208352 SBVDSCORBMOFIE-PGMHBOJBSA-N 461.587 6.242 50 10 JKGE CCCCOc1cc(/C=C(/C#N)c2nc(-c3cc4ccccc4oc3=O)cs2)ccc1OC 209410860 AFTZMDPMDVGABO-UNOMPAQXSA-N 458.539 6.168 50 10 JKGE CCSc1ccc(-c2nn(-c3ccccc3)cc2/C=C2\C(=O)N([C@@H](C)CC)C(=O)C(C#N)=C2C)cc1 214259147 KTBUOWDAMZXQMQ-LIAPLOTISA-N 496.636 6.042 50 10 JKGE FC(F)(F)c1ccc(Br)c([C@@H](Cl)c2cc(Br)c(Cl)s2)c1 227840905 RCPIIWFJUIPXPP-SNVBAGLBSA-N 468.947 7.274 50 10 JKGE CC[C@@H](Br)c1nnc(-c2cc(I)ccc2Br)s1 233824341 NJDOUGLDSBQRDS-MRVPVSSYSA-N 487.986 5.418 50 10 JKGE COc1ccc([C@H](Cl)c2cc(Br)ccc2I)c(C)c1 234991006 YXAAZDFSPZACQY-HNNXBMFYSA-N 451.529 5.699 50 10 JKGE Cc1cc([C@H](Br)c2ccc(F)cc2I)c(C)cc1Cl 235864719 FOIBOWQBGULTAU-OAHLLOKOSA-N 453.520 6.185 50 10 JKGE Cc1cc([C@H](Br)c2ccc(F)cc2I)c(Cl)cc1F 235864820 GSKIIHLHNOYWQQ-CQSZACIVSA-N 457.483 6.016 50 10 JKGE CCCC[C@H](CC)CN(C(=O)CCl)[C@H](C(=O)N[C@H]1CCCC[C@@H]1C)c1ccc(Cl)cc1 252586070 NGFWIFRHMBNPQN-MWYJAUPDSA-N 469.497 6.360 50 10 JKGE CCC(=NNC(=O)c1cc(-c2cccc(OC)c2)nc2ccc(C)cc12)c1cc(O)ccc1O 254380647 IAAKAMMWDNMSTL-UHFFFAOYSA-N 455.514 5.174 50 10 JKGE CCCCCCCCC(=O)NN=C(C)c1ccc(NC(=O)c2ccc(Br)o2)cc1 254392953 LZYSDHPYDFMLCM-UHFFFAOYSA-N 462.388 5.885 50 10 JKGE CCC(C)(C)c1ccc(OCCCC(=O)NN=C(C)c2ccccc2O)c(C(C)(C)CC)c1 254825452 GYDUFRIWLVKBKT-UHFFFAOYSA-N 452.639 6.467 50 10 JKGE Cc1cc(Br)c([C@H](Cl)c2cc(Br)ccc2Br)cc1Cl 311664155 XCBSYZRJRWSQKG-CQSZACIVSA-N 487.844 7.264 50 10 JKGE C[C@H]1[C@@H](n2c(CCCl)nc3cc(I)ccc32)CCN1Cc1ccccc1 312018092 VMFNFAYBFJQWJF-KXBFYZLASA-N 479.793 5.258 50 10 JKGE Cc1cc(C)c([C@@H](Br)c2csc(Br)c2)c(C)c1Br 380638952 RYSOBNAIUAWUKB-AWEZNQCLSA-N 453.037 6.683 50 10 JKGE Cc1cc(Br)c([C@H](Br)c2cccc3ccsc23)cc1Br 395304460 WQXQYJWRVYSWMJ-OAHLLOKOSA-N 475.043 7.219 50 10 JKGE CC(C)(C)OC(=O)N1c2ccccc2NC[C@H]1c1cccc(CCO[Si](C)(C)C(C)(C)C)c1 616585524 RPXNNAWHDNUZGU-DEOSSOPVSA-N 468.714 7.159 50 10 JKGE CC(C)(C)[Si](C)(C)OCCN1CCCCC[C@@H]1c1ccccc1CO[Si](C)(C)C(C)(C)C 616623488 GGJNJLFUELLCLO-RUZDIDTESA-N 477.882 8.147 50 10 JKGE CC1(C)COc2c([C@@H](Br)c3csc(Br)c3)cc(Br)cc21 688199406 UOXGLLMVFUHPEM-ZDUSSCGKSA-N 481.047 6.427 50 10 JKGE Cc1cc(Br)c([C@H](Br)c2ccc(F)c(Br)c2F)cc1Cl 691518852 ZBDNTIZAOCZWCU-GFCCVEGCSA-N 489.379 6.936 50 10 JKGE C[C@@H]1Cc2cc(Br)cc([C@H](Cl)c3ccc(I)cc3)c2O1 720124615 NCSMUMFMZWHNAV-RFAUZJTJSA-N 463.540 5.705 50 10 JKGE Cl[C@H](c1ccc(I)c(Br)c1)c1csc2ccccc12 721600505 BSKKXMFIPIWZOF-OAHLLOKOSA-N 463.565 6.597 50 10 JKGE Cc1ccc(NC(=O)/C(C#N)=C\c2cc(Br)ccc2OCc2ccccc2Cl)cc1C 1084217052 YIAZKKOJSMAJRI-NDENLUEZSA-N 495.804 6.844 50 10 JKGE Cc1ccc(NC(=O)C(=O)NN=Cc2cccc(OCc3c(Cl)cccc3Cl)c2)cc1Cl 1084500315 RGJSIJYUXGMCBZ-UHFFFAOYSA-N 490.774 5.623 50 10 JKGE Cc1ccc(C(=O)NN=C2CCCc3oc(C(=O)Nc4ccc(Cl)cc4Cl)c(C)c32)cc1 1772745008 QCDPBKHMPCCIJB-UHFFFAOYSA-N 470.356 5.926 50 10 JKGE CCCCc1ccc(NC(=O)c2oc3c(c2C)C(=NNC(=O)c2cccc(Cl)c2)CCC3)cc1 1772745977 MTQNRGJAVIVLIU-UHFFFAOYSA-N 477.992 6.307 50 10 JKGE CCCCOc1ccc(C=NNC(=O)COc2cc(C)c(Br)cc2C(C)C)cc1OC 1772754823 XGTPGEGNEUYKKK-UHFFFAOYSA-N 491.426 5.598 50 10 JKGE O=C(CSc1nc(-c2ccc(Cl)cc2)cs1)NN=Cc1c(Cl)cccc1Cl 1772755038 IRFYKSWUQXZYDX-UHFFFAOYSA-N 456.807 6.013 50 10 JKGE C[C@@H](Oc1cccnc1NC(=O)Oc1ccc([N+](=O)[O-])cc1)C(=O)Nc1cc(Cl)ccc1Cl 1858687117 HOMIFRKYJNSPRT-GFCCVEGCSA-N 491.287 5.314 50 10 JKGE COc1ccc(-c2nn(Cc3ccc(Cl)cc3)c3c2[C@@H](c2cccc(O)c2)C(C#N)=C(N)O3)cc1 1865681717 UMEHSDXVNGLNHF-QHCPKHFHSA-N 484.943 5.184 50 10 JKGE N#CC1=C(N)Oc2c(c(C(F)(F)F)nn2Cc2ccc(Cl)c(Cl)c2)[C@H]1c1cccc(Cl)c1 1865683578 MXBUDBBLDZUFKI-INIZCTEOSA-N 499.707 6.129 50 10 JKGE CCOc1ccc([C@H]2C(C#N)=C(N)Oc3c2c(-c2ccccc2)nn3Cc2ccc(C)cc2)cc1 1865692553 CEGFTLPPMZCXJC-VWLOTQADSA-N 462.553 5.524 50 10 JKGE CCCOc1ccccc1[C@@H]1C(C#N)=C(N)Oc2c1c(CCC)nn2Cc1ccccc1Cl 1865703256 RTWQZDUDFIRMQN-HSZRJFAPSA-N 462.981 5.544 50 10 JKGE CCCc1nn(-c2ccc(Cl)c(Cl)c2)c2c1[C@H](c1ccc(OC)cc1OC)C(C#N)=C(N)O2 1865708405 WEQYUHGDNXPXOI-OAQYLSRUSA-N 485.371 5.367 50 10 JKGE COC(=O)c1ccc([C@H]2C(C#N)=C(N)Oc3c2c(-c2ccccc2)nn3-c2ccccc2Cl)cc1 1865709650 ZDZGUMOWLHPTIS-QFIPXVFZSA-N 482.927 5.197 50 10 JKGE Cc1ccc(C(=O)CCC(=O)NNC(=O)c2ccc(-c3ccc(Cl)cc3Cl)nc2C)c(C)c1 1865759548 GEXNPTHOBKHQII-UHFFFAOYSA-N 484.383 5.405 50 10 JKGE CC(C)(NC(=O)c1ccc(-c2cc3ccccc3[nH]2)cc1)C(=O)Nc1ccc(SC#N)cc1 1867063431 VXGXCKUIRPJBLJ-UHFFFAOYSA-N 454.555 5.555 50 10 JKGE COc1cc(/C=C(\C#N)c2nc(O)c3ccccc3n2)ccc1OCC(=O)Nc1ccc(C)cc1C 1872726988 XOXCLWXLLZRVGS-DEDYPNTBSA-N 480.524 5.043 50 10 JKGE COc1c(Cl)cc(-c2csc(/C(C#N)=C(\O)CCCOc3ccc(Cl)cc3)n2)cc1Cl 1872755808 HEYXLYDFOFAYER-SILNSSARSA-N 495.815 7.431 50 10 JKGE COc1cc(Cl)c(C)cc1-c1csc(/C(C#N)=C(\O)c2cccc(OCC(C)C)c2)n1 1872757112 QXXAFXSPCGXSKN-NMWGTECJSA-N 454.979 6.765 50 10 JKGE COc1ccc(Cl)cc1-c1csc(/C(C#N)=C(O)/C=C/c2ccc(Cl)c(Cl)c2)n1 1872758489 COWLELAXHWYNLL-DTFOEHMXSA-N 463.773 7.285 50 10 JKGE CCOC(=O)Oc1ccc(/C(O)=C(\C#N)c2nc(-c3ccc(OC)c4ccccc34)cs2)cc1 1872758577 HKCXYBVMOLKNOS-FLFQWRMESA-N 472.522 6.457 50 10 JKGE CCCOc1ccc(-c2csc(/C(C#N)=C(\O)Cc3c[nH]c4ccccc34)n2)cc1OCCC 1872818119 NNOGZFUZRGAEHL-FLFQWRMESA-N 473.598 6.904 50 10 JKGE CCCOc1ccc(-c2csc(/C(C#N)=C(\O)CNC(=O)c3ccccc3)n2)cc1OCCC 1872818294 WBSZCMQOASHQJZ-XDOYNYLZSA-N 477.586 5.610 50 10 JKGE CC[C@@H]1CC[C@H]([C@H](Br)c2c(Br)sc(Br)c2Cl)O1 1911030341 XIPFGGNOJSITDY-JKMUOGBPSA-N 467.448 6.320 50 10 JKGE BrCC1(Cc2cccc(Br)c2Br)CC2(CCCCC2)C1 1912544811 CRLRJMUWCXWCQG-UHFFFAOYSA-N 465.067 6.880 50 10 JKGE CC[C@@H](Br)CN(Cc1ccccc1)Cc1c(Br)cccc1Br 1915097241 SAJRYVXEKYPRMC-OAHLLOKOSA-N 490.077 6.387 50 10 JKGE C[C@@H]1O[C@H](C)C[C@@H]1[C@@H](Br)c1c(Br)sc(Br)c1Cl 1923062846 SXYGKKXLHDGVOM-FZGKIIIMSA-N 467.448 6.176 50 10 JKGE CC[C@H](Br)CN(C(=O)c1csc(Br)c1Br)C1CC1 2045277345 IDHFAKUZTQPVTH-ZETCQYMHSA-N 460.029 5.051 50 10 JKGE C[C@H](CCCCCI)NCc1cc(Cl)ccc1I 2054157555 GUZLYAZOSKIUCO-LLVKDONJSA-N 491.582 5.418 50 10 JKGE COc1c(Br)cc(C)cc1[C@@H](Br)c1sncc1Br 2083458737 YTZYRRPJESNPJK-SNVBAGLBSA-N 455.997 5.469 50 10 JKGE C[C@H](Cl)c1nc2cc(I)ccc2n1Cc1nccn1Cc1ccccc1 2090020631 FFTFPIHLAYYJHZ-AWEZNQCLSA-N 476.749 5.234 50 10 JKGE COc1ccc(Cl)cc1[C@@H](Br)c1c(Br)cccc1Br 2094089865 AUWJXMWLBBQJGG-CQSZACIVSA-N 469.398 6.358 50 10 JKGE CC[C@](C)(Cn1c(CCl)nc2cc(I)ccc21)N(C)Cc1ccccc1 2098896199 KOBCGQZBEMJRTN-OAQYLSRUSA-N 481.809 5.680 50 10 JKGE FC1(F)CCCCC[C@H]1[C@H](Br)c1c(Cl)sc(Br)c1Cl 2108666226 UVEVFQDKCDWJEY-XPUUQOCRSA-N 457.005 7.469 50 10 JKGE FC1(F)CCC[C@@H]2[C@H]([C@@H](Cl)c3c(Br)sc(Br)c3Cl)[C@@H]21 2114390787 BVFHIUVNFSQILA-IXROVEORSA-N 454.989 6.888 50 10 JKGE COCc1cccc([C@@H](Cl)c2c(Br)sc(Br)c2Br)c1 2134746810 XVMZRJPZJIRELM-LLVKDONJSA-N 489.454 6.510 50 10 JKGE CC(C)(C)OC(=O)N1CCC[C@](CI)(OC[C@H]2C[C@@H]2c2ccccc2)C1 2135987048 FQBFCYPPPVNPJK-DBXWQHBBSA-N 471.379 5.011 50 10 JKGE BrCc1ccc(N2CCCc3c(Br)cccc32)cc1Br 2145028032 JKQXHRJAQYJDTB-UHFFFAOYSA-N 460.007 6.191 50 10 JKGE FC(F)(F)[C@H]1CCc2c3c(cc(I)c2[C@@H](Br)C1)CCO3 2146435315 JUSZRLPPGQOEBQ-WPRPVWTQSA-N 461.059 5.177 50 10 JKGE Cc1cc(CCl)cc(S(=O)(=O)N(Cc2ccccc2)CC2CCCC2)c1Br 2152154204 IOBARECCZWFXQL-UHFFFAOYSA-N 470.860 5.877 50 10 JKGE ClCc1ccc(Br)c(Cl)c1N1CC[C@@H]2[C@H](CCCN2Cc2ccccc2)C1 2154366644 YWZVYCBTGFNXCA-UYAOXDASSA-N 468.266 6.332 50 10 JKGE FC1(F)C[C@]12CCC[C@H]([C@H](Br)c1c(Cl)sc(Br)c1Cl)C2 2156116508 LGNWMSZNFZHKHF-DCUMQYTISA-N 469.016 7.469 50 10 JKGE CC1(C)C[C@@H](CCOc2c(Br)cc(CBr)cc2Br)CO1 2159291529 QODUYLQQKHOSNQ-SNVBAGLBSA-N 471.027 5.691 50 10 JKGE C[C@@H]1CN(Cc2ccccc2)CC[C@@H]1n1c(CCl)nc2cc(Br)c(Cl)cc21 2159871870 NOQZZJPHROBCSY-KUHUBIRLSA-N 467.238 6.274 50 10 JKGE Clc1cc(Br)cc(C[C@@H](CBr)Cc2cccc(Br)c2)c1 2166833168 SGFHCIALJPJCKG-ZDUSSCGKSA-N 481.453 6.661 50 10 JKGE Cc1cc(C)c(S(=O)(=O)N(CCC(F)(F)F)Cc2ccccc2)cc1CBr 2179858629 QXIMNFBCFLLESZ-UHFFFAOYSA-N 464.347 5.342 50 10 JKGE CC[C@H](N)Cc1cc(Br)cc(Br)c1OCC1CC(Br)C1 2196936264 BZRLCABZLYQYPX-OCTTZUBCSA-N 470.043 5.044 50 10 JKGE Cc1cc(Br)c(C)c([C@H](Br)[C@@H]2CCC[C@H]2C(C)C)c1Br 2201076965 GLYOYBJJUGITLZ-OGHNNQOOSA-N 467.083 7.337 50 10 JKGE COc1c(C)cc(Br)cc1[C@@H](Br)c1ccc(Cl)c(Br)c1 2206572927 YODXCURNFCZSJP-AWEZNQCLSA-N 483.425 6.666 50 10 JKGE ClCc1nc2cc(Br)c(Br)cc2n1-c1cnn(Cc2ccccc2)c1 2218661704 LEXPCNATZKSMSM-UHFFFAOYSA-N 480.591 5.534 50 10 JKGE FC1(F)CCC[C@@H]1[C@H](Br)c1c(Br)cc(Cl)c(Cl)c1Cl 2224302406 LIZCBGPWACPTGZ-ANLVUFKYSA-N 457.367 7.281 50 10 JKGE Cc1ccc([C@@H](Br)c2ccc(C)c(Br)c2C)cc1I 2224626598 JPMIMIRBGRULJS-MRXNPFEDSA-N 494.008 6.463 50 10 JKGE CCCC[C@@H](C)CC[C@@H](Br)c1cc(Br)c(Br)cc1F 2225620273 SJPDVINXCCDZJX-ZYHUDNBSSA-N 459.035 7.393 50 10 JKGE Fc1cc(Br)c(Br)cc1[C@@H](Cl)c1cccc(Br)c1F 2225632606 DJFXANYVCSDPNA-LBPRGKRZSA-N 475.352 6.581 50 10 JKGE Cc1sc([C@@H](Cl)c2scc(C(F)(F)F)c2Br)cc1Br 2226081972 JOTNAICSOJKACQ-SECBINFHSA-N 454.558 6.990 50 10 JKGE CCC[C@H](C(C)C)[C@H](Br)c1c(Br)cc(C)c(Br)c1C 2227362271 MGZXIGYRNWJPOF-WBMJQRKESA-N 455.072 7.337 50 10 JKGE COc1cc(C)ccc1[C@@H](Br)c1cc(Br)c(Br)cc1F 2233981833 NUESKHDQRYBPEP-OAHLLOKOSA-N 466.970 6.152 50 10 JKGE COc1cc(Br)c([C@@H](Br)c2cccc(Br)c2C)cc1C 2236012776 VCYGCNGFJXHIOR-INIZCTEOSA-N 463.007 6.321 50 10 JKGE Fc1cc(F)c([C@@H](Br)c2cccc(Br)c2F)c(F)c1Br 2236108537 JZMULQVTIWPLBU-JTQLQIEISA-N 476.887 6.252 50 10 JKGE COc1cc(Cl)c([C@H](Cl)c2sc(C)c(C)c2Br)cc1Br 2237631593 LQHNIYAJLBFLFZ-ZDUSSCGKSA-N 459.030 6.880 50 10 JKGE CC(C)c1cc(Br)cc(C(=O)N(Cc2ccccc2)C[C@H](C)Br)c1 2247251099 UACVRWDZSXCDLO-HNNXBMFYSA-N 453.218 5.998 50 10 JKGE CCc1cc([C@@H](Br)c2cc(Br)ccc2Cl)sc1Br 2255987524 BZVDPASHWNMEOS-LBPRGKRZSA-N 473.455 6.973 50 10 JKGE CCc1cc([C@@H](Cl)c2ccc(F)cc2I)sc1Br 2255989068 POEJBTYZYROEAR-LBPRGKRZSA-N 459.549 6.145 50 10 JKGE CN(Cc1ccccc1I)c1ccc(Cl)cc1CBr 2265530046 MMFVSRFWGDNYAL-UHFFFAOYSA-N 450.545 5.476 50 10 JKGE CCn1nc(C)c(CBr)c1Oc1cc(I)ccc1Cl 2272632125 DEAUKPSNAXGMEF-UHFFFAOYSA-N 455.521 5.157 50 10 JKGE Fc1cc(Br)c(Br)cc1[C@H](Br)[C@@]12CCCC[C@H]1CC2 2273345616 WHQRXTOMSVXVRL-ULKVUYOBSA-N 455.003 6.757 50 10 JKGE COc1c(Br)cc(Cl)cc1[C@H](Br)c1cc(C)c(Br)o1 2277883238 BAVKJOIIURYRDI-NSHDSACASA-N 473.386 6.259 50 10 JKGE COc1c(Br)cc(Cl)cc1[C@H](Br)Cc1ccccc1Br 2279041282 QWNCXOXWXGSBKT-CYBMUJFWSA-N 483.425 6.552 50 10 JKGE Cc1cc(Br)c([C@@H](Br)c2cc(F)ccc2Br)c(C)c1F 2279147596 WRNIEEJGJOIGFB-AWEZNQCLSA-N 468.961 6.591 50 10 JKGE COCC1([C@H](Br)c2ccc(OC)c(I)c2)CCCCC1 2284995525 BFXVFEMUCZDHIT-OAHLLOKOSA-N 453.158 5.333 50 10 JKGE N#CC(=Cc1ccc(OCc2ccc(Cl)cc2)c(Br)c1)c1nc2ccccc2[nH]1 2293772187 OBROXFPCZMOUSE-UHFFFAOYSA-N 464.750 6.622 50 10 JKGE CCCN(CCC)c1ccc(C=NNC(=O)C(=Cc2cccs2)NC(=O)c2ccccc2)cc1 2293968594 DZBFYOOCDYXUNP-UHFFFAOYSA-N 474.630 5.296 50 10 JKGE CCC(CC)([C@H](Br)c1cc2sc(Br)cc2s1)C(F)(F)F 2295512314 OOPCPINIYGAEQI-LLVKDONJSA-N 450.183 7.530 50 10 JKGE Cc1nc(Br)c([C@H](Cl)c2sc(Br)cc2Br)n1C 2300293577 SMCTUSQILZAXKV-ZETCQYMHSA-N 463.420 5.406 50 10 JKGE FC1(F)CC[C@@H]2[C@H]([C@@H](Br)c3sc(Cl)cc3I)[C@H]21 2300954532 ZBHWZUQJZDTTPY-CYAXSCHPSA-N 453.517 5.733 50 10 JKGE Brc1cc(C[C@H]2[C@H]3CC[C@@H](C3)[C@@H]2Br)ccc1I 2306218147 XFGVCANRHREBKF-RMIALFOJSA-N 469.986 5.406 50 10 JKGE CCc1cc(Br)ccc1-c1ccc(C=C(C#N)C(=O)Nc2ccccc2OC)o1 2313553089 FIKLMNNCEVDLPT-UHFFFAOYSA-N 451.320 5.826 50 10 JKGE COc1ccc(C=C(C#N)C(=O)Nc2ccc(Cl)cc2)cc1OCc1c(Cl)cccc1Cl 2313631598 SIAMNMPOZMJSQQ-UHFFFAOYSA-N 487.770 6.780 50 10 JKGE Cc1nn(C)c(Br)c1[C@@H](Cl)c1ccc(OCc2ccccc2)cc1Br 2314447112 WTYWLATYXZGLCL-SFHVURJKSA-N 484.619 6.161 50 10 JKGE CC1=C(C#N)C(=O)N(CCc2ccccc2)C(=O)C1=Cc1ccc(-c2ccc(Br)cc2)o1 2314616808 KDPDFLCNNYQNOT-UHFFFAOYSA-N 487.353 5.544 50 10 JKGE CC1=C(C#N)C(=O)N([C@H](C)c2ccccc2)C(=O)C1=Cc1ccc(-c2cccc([N+](=O)[O-])c2)o1 2314618619 QLKPJJPFUXBAIS-QGZVFWFLSA-N 453.454 5.208 50 10 JKGE CC[C@]1(C)[C@H](Br)CCN1C(=O)c1cc(Br)c(Br)s1 2315152412 RJIFSXWLPRKMFA-BXKDBHETSA-N 460.029 5.051 50 10 JKGE COc1cccc(C=CC(=O)Oc2ccc(C=C(C#N)c3ccc(OC)c(OC)c3)cc2OC)c1 2320507033 XFNHFWVJMWYJJF-UHFFFAOYSA-N 471.509 5.404 50 10 JKGE COc1cc(C=NNC(=O)c2ccccc2OC)ccc1OCc1c(Cl)cccc1Cl 2322948336 DEEQBAHYDNHTFV-UHFFFAOYSA-N 459.329 5.354 50 10 JKGE Cc1ccc2nc(-c3ccc(NC=C(C#N)C(=O)N[C@H](C)c4ccc5c(c4)CCCC5)cc3)sc2c1 2325118539 JISXQCANNMRSEW-HXUWFJFHSA-N 492.648 6.847 50 10 JKGE Cc1cc(OCc2cccc(CCl)c2)cc2c1C(=O)C(=Cc1c(Cl)cccc1Cl)O2 2325363361 GAGVPDSYRIGDTC-UHFFFAOYSA-N 459.756 7.236 50 10 JKGE Brc1cc(CO[C@@H]2CCCCC[C@H]2Br)ccc1I 2325377533 YABVPIRZDAMHMG-BXUZGUMPSA-N 488.001 5.667 50 10 JKGE N#CC(=CNCc1ccc(Br)cc1)C(=O)Nc1ccc(Cl)c(C(F)(F)F)c1 2325385067 IJVKTSPNKWWITC-UHFFFAOYSA-N 458.665 5.257 50 10 JKGE CC(C)N1C(=O)c2ccc(C(O)=C(C#N)c3nc(-c4ccc(Br)cc4)cs3)cc2C1=O 2331259654 IQFLWOBPNUMQSH-UHFFFAOYSA-N 494.370 5.527 50 10 JKGE COc1ccc(C=C(C(O)=C(C#N)c2nc(-c3ccccc3Cl)cs2)c2ccccc2)cc1 2331266922 NSFXZECWNIDOKB-UHFFFAOYSA-N 470.981 7.506 50 10 JKGE COc1ccccc1-c1csc(C(C#N)=C(O)CCCOc2ccc(Cl)cc2Cl)n1 2331282343 HHQJEOIQKWBPFQ-UHFFFAOYSA-N 461.370 6.777 50 10 JKGE CCCOc1ccc(-c2csc(C(C#N)=C(O)c3cc(Cl)ccc3OC)n2)cc1OCCC 2331293196 FWFQISOZHZEXTR-UHFFFAOYSA-N 485.005 7.000 50 10 JKGE CC(C)Oc1ccc(C=C(C(O)=C(C#N)c2nc(-c3ccccc3)cs2)c2ccccc2)cc1 2331303990 CZHHZYLVZXLOLO-UHFFFAOYSA-N 464.590 7.631 50 10 JKGE N#CC(=C(O)C=Cc1ccc(OCc2ccccc2)cc1)c1nc(-c2ccc(Cl)s2)cs1 2331402089 MXWKDZGMUZDKGV-UHFFFAOYSA-N 477.010 7.610 50 10 JKGE COc1ccc(Cl)cc1N1C[C@H](C(O)=C(C#N)c2nc(-c3ccc(Cl)s3)cs2)CC1=O 2331402168 VYJFZVXEPJANNJ-LLVKDONJSA-N 492.409 6.033 50 10 JKGE CCOc1cc(C=C(C#N)c2nc(-c3ccccc3OC)cs2)cc(Br)c1O 2331434782 YHBKYWYAECFQSV-UHFFFAOYSA-N 457.349 5.750 50 10 JKGE CCOc1cc(C=C(C#N)c2nc(-c3cc(Cl)ccc3OC)cs2)cc(Br)c1O 2331491707 FEDHUPXNRKXHKP-UHFFFAOYSA-N 491.794 6.403 50 10 JKGE Brc1cc(OCc2ccccc2)ccc1[C@H](Br)c1ccc(C2CC2)cc1 2336041799 QTTHPDHYZUBHHW-HSZRJFAPSA-N 472.220 7.390 50 10 JKGE FC(F)(C1CCOCC1)[C@H](Br)c1cc(Br)ccc1OCc1ccccc1 2336042394 WGFPROOXESGTKV-LJQANCHMSA-N 490.182 6.526 50 10 JKGE Cc1cc(C)c(C)c([C@@H](Br)c2ccc(OCc3ccccc3)cc2Br)c1 2336043967 JZWIPBNDFUBOIV-QHCPKHFHSA-N 474.236 7.438 50 10 JKGE CC(C)c1ccccc1[C@@H](Br)c1cc(Br)ccc1OCc1ccccc1 2336053586 KLJUPAWODOHDCJ-HSZRJFAPSA-N 474.236 7.636 50 10 JKGE CC1([C@@H](Br)c2c(Cl)cc(Br)c(F)c2Br)CC(F)(F)C1 2337082600 NXHQSMGQNDSJLW-JTQLQIEISA-N 485.363 6.876 50 10 JKGE COc1c(Br)cc(C)c([C@H](Br)[C@H]2C[C@@H]2C2CC2)c1Br 2339655396 YLGXUTQUHKRNLW-GBIKHYSHSA-N 453.012 6.011 50 10 JKGE COCc1cc(Br)c([C@@H](Cl)c2ccc(Cl)cc2I)s1 2340064002 CNDXZMCXJGQTOX-LBPRGKRZSA-N 492.003 6.243 50 10 JKGE C[C@H](Br)CN(C(=O)c1scc(Br)c1Br)C1CCCC1 2342917997 MMOMMLCTWNEVBN-QMMMGPOBSA-N 474.056 5.441 50 10 JKGE C[C@@H](Br)C12CCC(CC1)N2Cc1cc(I)ccc1Cl 2352409044 CKFQOQBLPGOFTN-ZZJLNTIPSA-N 454.577 5.225 50 10 JKGE Cc1cc(Br)c(C(C)C)cc1[C@@H](Br)c1cc(Br)co1 2352807179 VPJUQEPOQWBYNB-OAHLLOKOSA-N 450.996 6.721 50 10 JKGE CN(c1c(CCl)ccc(Br)c1Cl)[C@H]1C[C@@H]2C[C@@H](OCc3ccccc3)C[C@H]12 2357090580 ZJZMIEPQGCEDSM-DMUMMCEESA-N 469.250 6.661 50 10 JKGE Fc1c(Br)cc(Cl)c([C@H](Br)[C@@H]2CC23CCCCC3)c1Br 2362227558 GUPJEIKEBXJYBO-QPUJVOFHSA-N 489.448 7.411 50 10 JKGE FC1(F)CC[C@]2(C1)[C@H](Br)C[C@H]2Oc1cc(Br)cc(Br)c1 2364222414 HQABSVZAKLNKJU-UPJWGTAASA-N 474.965 5.932 50 10 JKGE COc1c(Br)cc(C)c([C@H](Br)[C@@H]2CCC(F)(F)C2)c1Br 2365197097 SMIOLIUWYBRYON-LDYMZIIASA-N 476.981 6.400 50 10 JKGE O=C(c1ccc(Cl)cc1I)N(CCBr)Cc1cccs1 2365580959 AICKSIYNMFPNTJ-UHFFFAOYSA-N 484.584 5.043 50 10 JKGE Cc1cnc(N(C)Cc2c(Br)cccc2Br)c(CBr)c1 2366159848 DKBPRRVXLDCQJV-UHFFFAOYSA-N 463.011 5.446 50 10 JKGE Cc1cc(F)c(CBr)c(OCc2c(Br)cccc2Br)c1 2366217109 RBFBRAXCZQJIKM-UHFFFAOYSA-N 466.970 6.133 50 10 JKGE CCCN(CCC)c1ccc(/C=N/NC(=O)COc2ccc(Cl)cc2Br)cc1 3025093 CYAQUNCYPGIIDG-ZVHZXABRSA-N 466.807 5.258 50 10 JKGE CCCC/C(=N\NC(=O)c1ccc(NC(=O)c2ccc(C(C)(C)C)cc2)cc1)c1ccccc1 12491902 UOKNDXCKIRJMJY-GKPLWNPISA-N 455.602 6.561 50 10 JKGE C=CCc1cc(/C=C(\C#N)c2ccc(C(=O)O)cc2)cc(OC)c1OCc1cccc([N+](=O)[O-])c1 13546872 UGQMKKMXJLGOBH-YDZHTSKRSA-N 470.481 5.673 50 10 JKGE Cc1cccc(C)c1N/C(SCc1cccc(Cl)c1)=C(/C#N)S(=O)(=O)c1ccccc1 20325063 JAEZQYGHBYSGSX-ZNTNEXAZSA-N 469.031 6.469 50 10 JKGE Cc1ccc(N/C(SCc2ccccc2Cl)=C(/C#N)S(=O)(=O)c2ccccc2)c(C)c1 20325203 QGNBKYKPMBKZJH-WCWDXBQESA-N 469.031 6.469 50 10 JKGE CC(C)(C)C1=CC(=CNNC(=O)C2=NNC(c3ccccc3)(c3ccccc3)C2)C=C(C(C)(C)C)C1=O 27473016 LZCKOGMWCOXNBJ-UHFFFAOYSA-N 496.655 5.312 50 10 JKGE CC(C)OC(=O)c1c(NC(=O)/C(C#N)=C\c2cn[nH]c2-c2ccccc2)sc2c1CCCC2 33339790 ILEQCHVCDFQHIG-ATVHPVEESA-N 460.559 5.128 50 10 JKGE N#C/C(=C/c1cn(-c2ccccc2)nc1-c1cccc2ccccc12)c1nc(-c2ccccc2)cs1 35519251 ZDRBWCORTJXMQL-MOHJPFBDSA-N 480.596 7.880 50 10 JKGE C=CCOc1ccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4ccccc4OCC)ccc32)cc1 38658259 WDNWCBHEROVWNT-SANMLTNESA-N 468.509 5.087 50 10 JKGE Cc1cccc(C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@H]3c2cccc(Oc3ccccc3)c2)c1 38660747 FTXFOHYMECPSJX-NDEPHWFRSA-N 474.516 6.225 50 10 JKGE Cc1ccc(OCC(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@@H]3c2cccc(OCCC(C)C)c2)cc1 38684637 VLHSIRRUETYBEW-GDLZYMKVSA-N 498.579 5.623 50 10 JKGE Cc1ccc2c(C)c(C(=O)Oc3ccc4c(c3)OC(N)=C(C#N)[C@@H]4c3ccccc3Cl)oc2c1C 38687652 KQXLZVGKYPIJJA-XMMPIXPASA-N 484.939 6.449 50 10 JKGE O=C(CCCc1c(-c2ccc3ccccc3n2)[nH]c2ccccc12)NNC(=O)Cc1ccccc1 39867155 IFPQSEBPMCEJKR-UHFFFAOYSA-N 462.553 5.096 50 10 JKGE CCCCOc1ccc(/C=C(\C#N)C(=O)Nc2ccc(-c3nc4ccc(C)cc4s3)cc2)cc1 40864624 TYPVQVJAILWSHD-OQKWZONESA-N 467.594 6.996 50 10 JKGE COc1cc(/C=C(\C#N)c2ccc(Cl)cc2)ccc1OC(=O)CCc1ccc(C(C)(C)C)cc1 40995831 CXSPNKLRMKZDJP-HAVVHWLPSA-N 474.000 7.248 50 10 JKGE CCCCc1ccc(-n2c(C)cc(/C=N/NC(=O)CC[C@H](O)c3ccc(OCC)cc3)c2C)cc1 58894477 DSGDJVNUAAHKLU-LUJVFJMUSA-N 475.633 5.799 50 10 JKGE COc1cc(/C=C(/C#N)C(=O)Nc2ccc(C)cc2)c(Br)cc1OCc1cccc(C)c1 59335397 SYRNSLOHSMTDBI-MTJSOVHGSA-N 491.385 6.199 50 10 JKGE Cc1cc(C)c(/C(CSc2nc3ccccc3[nH]2)=N\NC(=O)c2ccccc2Cl)cc1C 59460723 RRPPVXLJUNSWGR-FAJYDZGRSA-N 463.006 6.068 50 10 JKGE CCCCCCOC(=O)c1ccccc1N/C=C(/C#N)c1nc(-c2ccc(CC)cc2)cs1 102418763 VRVVOYNLFVSDIR-PYCFMQQDSA-N 459.615 7.086 50 10 JKGE CCOc1ccccc1N/C(SCc1ccccc1Cl)=C(\C#N)C(=O)NCc1ccccc1 105423176 MEGVVZZYVQAKOC-QLYXXIJNSA-N 478.017 6.136 50 10 JKGE COc1c(C)cc(Br)c(C)c1[C@@H](Br)c1cccc(Br)c1C 125770267 ATLDEXINGFZVTG-INIZCTEOSA-N 477.034 6.630 50 10 JKGE CC(C)CCC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC[C@H]4C[C@@H](O[Si](C)(C)C)CC[C@]4(C)[C@H]3CC[C@@]21C 195753130 HRLPEXVPNOBUDF-QYHGRWQDSA-N 460.863 9.328 50 10 JKGE CCC[Si](CCC)(CCC)O[C@@H](OCC)[C@H](O[Si](CCC)(CCC)CCC)c1ccccc1 205991862 PRXPLOCAKJWFFT-VSGBNLITSA-N 494.909 9.475 50 10 JKGE CCCCCCOc1ccc(/C=C(/C#N)C(=O)Nc2nc(-c3ccc(C)cc3)c(C)s2)cc1OC 206245561 FSVYRLMZHPWNLB-KQWNVCNZSA-N 489.641 6.940 50 10 JKGE Fc1ccc(Br)c(F)c1C[C@@H](CBr)c1ccc(Br)cc1 230376220 UFAWQXDFZCPBHX-JTQLQIEISA-N 468.961 6.211 50 10 JKGE COc1ccc([C@H](Br)c2ccc(I)c(Cl)c2)c(Cl)c1 232343590 MCGDNULQOIOFJC-CQSZACIVSA-N 471.947 6.091 50 10 JKGE Cc1sc([C@@H](Cl)c2ccc(I)c(Cl)c2)cc1Br 232345556 KQOPYMMRGNWWFN-LBPRGKRZSA-N 461.977 6.405 50 10 JKGE COc1cc(Br)c(Oc2ccc(CBr)c(Cl)c2)cc1Br 234917566 QCUAOJYFMWATIV-UHFFFAOYSA-N 485.397 6.561 50 10 JKGE Cc1cc([C@H](Cl)c2cc(Br)cc(Br)c2)c(C)cc1Br 235878644 RQQIUSGQPHRUHR-OAHLLOKOSA-N 467.426 6.919 50 10 JKGE Cc1cc(F)c([C@@H](Cl)c2cc(Br)ccc2I)cc1F 235920934 SBOMNNCEQAXQDE-CQSZACIVSA-N 457.483 5.969 50 10 JKGE O=C(NN=Cc1ccc(N2N=C(/C=C\c3ccccc3)C[C@H]2c2ccccc2)cc1)c1ccc(F)cc1 254380376 OCOSQSRNZUSUKT-RHWGOIBLSA-N 488.566 6.610 50 10 JKGE CC(=NNC(=O)c1cc(-c2ccc3c4c(cccc24)CC3)n[nH]1)c1ccc(-c2ccccc2)cc1 254560234 RMVFNGPQJDFJHL-UHFFFAOYSA-N 456.549 6.150 50 10 JKGE COc1ccc2ccccc2c1-c1cc(C(=O)NN=Cc2cccc(Oc3ccccc3)c2)[nH]n1 263629906 UVAIFNXPXPVGQT-UHFFFAOYSA-N 462.509 5.795 50 10 JKGE Brc1cc2c(cc1[C@H](Br)c1ccc(I)cc1)CCO2 308436215 NSBFRHLXNMBXLH-OAHLLOKOSA-N 493.964 5.473 50 10 JKGE COc1cc(F)c(Br)cc1[C@H](Cl)c1sccc1I 311211293 LCZLNFNOQCTZIV-NSHDSACASA-N 461.521 5.591 50 10 JKGE Oc1nc2cc([C@H](Br)c3ccc(OCc4ccccc4)cc3)c(Br)cc2[nH]1 380763970 YHXDUFUYSFCDPJ-HXUWFJFHSA-N 488.179 6.094 50 10 JKGE C[C@@H](Cl)c1nc2cc(Cl)c(Cl)cc2n1CCCN(Cc1ccccc1)Cc1ccccc1 390477797 JXPFXWVZWBYTSY-LJQANCHMSA-N 486.874 7.735 50 10 JKGE C[C@]1(Cn2c(CCl)nc3cc(I)c(F)cc32)CCCN1Cc1ccccc1 398048530 DGHCISAUJFNJTJ-OAQYLSRUSA-N 497.783 5.574 50 10 JKGE Cc1ccc([C@@H](Br)c2cc(Cl)c(Cl)c(Cl)c2Cl)c(Br)c1 404666175 VDNBAZBTGRAMRP-LLVKDONJSA-N 477.838 7.855 50 10 JKGE Brc1ccc(Br)c([C@@H](Br)c2nscc2Br)c1 404760275 HVAVNOMHLWKXQY-SECBINFHSA-N 490.840 5.915 50 10 JKGE ClC[C@H](Cc1cc(Cl)ccc1I)c1cccc(Br)c1 405496616 BHNCRDCYSNDFRM-LBPRGKRZSA-N 469.975 6.272 50 10 JKGE CN(C(=O)OC(C)(C)C)c1ccccc1[C@H]1CCc2ccccc2N1CCO[Si](C)(C)C(C)(C)C 616592662 FLJIZRIKIQEWJG-AREMUKBSSA-N 496.768 7.574 50 10 JKGE Fc1ccc([C@@H](Br)c2cc(Cl)ccc2Br)c(F)c1Br 691638733 ZOOJLGRRUOOHHD-LLVKDONJSA-N 475.352 6.628 50 10 JKGE C[C@H](Cl)c1nc2ccc(C#N)cc2n1CC1(N(Cc2ccccc2)Cc2ccccc2)COC1 705612940 XMOHSZDHAOSEKR-NRFANRHFSA-N 471.004 5.679 50 10 JKGE C[C@@H]1CN(Cc2ccccc2)C[C@H]1Cn1c(CCl)nc2cc(I)ccc21 708510807 WAAFETFABWNHDN-WBVHZDCISA-N 479.793 5.148 50 10 JKGE BrC[C@H](Cc1ncc(Br)s1)Cc1ccccc1Br 713616679 BJDDZQIMTRCOJP-VIFPVBQESA-N 454.025 5.464 50 10 JKGE C[C@@H]1Cc2cc(Br)cc([C@@H](Br)c3sccc3Br)c2O1 720032894 MSQJAUGQIHLOJQ-JMCQJSRRSA-N 467.020 6.081 50 10 JKGE C[C@@H]1Cc2cc(Br)cc([C@@H](Cl)c3sccc3I)c2O1 720133417 RYQYSTCTLOMQMX-JMCQJSRRSA-N 469.569 5.767 50 10 JKGE Cc1ccc(Cn2cc(C=NNC(=O)c3cc4cc(Br)ccc4o3)c3ccccc32)cc1 1083941741 PMWRBRDNSDOOEW-UHFFFAOYSA-N 486.369 6.271 50 10 JKGE CCOc1ccc([C@@H](O)CCC(=O)NN=Cc2ccc(OCc3ccc4ccccc4c3)cc2)cc1 1083952891 PFTCKSZLCJYSMZ-LJAQVGFWSA-N 482.580 5.781 50 10 JKGE COc1cc(C=NNC(=O)c2cc3ccccc3o2)cc(Cl)c1OCc1ccc([N+](=O)[O-])cc1 1084006330 ROZNUNHPTAADHA-UHFFFAOYSA-N 479.876 5.346 50 10 JKGE O=C(CC[C@H](O)c1ccccc1)NN=Cc1ccc(OCc2ccccc2F)c(Br)c1 1084109859 NTYAHGNIEBKEHV-QFIPXVFZSA-N 485.353 5.131 50 10 JKGE O=C(NN=Cc1ccccc1OC(=O)c1sc2ccccc2c1Cl)c1ccccc1Cl 1084189709 YPYKCYDLSZTVMP-UHFFFAOYSA-N 469.349 6.191 50 10 JKGE COc1ccc(C(=O)NN=Cc2cc(Cl)ccc2OCc2cccc3ccccc23)cc1OC 1084379959 IRPFYQQAJIXROT-UHFFFAOYSA-N 474.944 5.853 50 10 JKGE O=C(NN=C(CSc1nc2ccccc2s1)c1ccc2ccccc2c1)c1ccccc1 1084449390 ANJISWQPSZWDOX-UHFFFAOYSA-N 453.592 6.376 50 10 JKGE COc1ccccc1C=NNC(=O)CCCSc1nnc(CCc2ccccc2)n1-c1ccccc1 1084523872 XRFMUMHPGZINHV-UHFFFAOYSA-N 499.640 5.084 50 10 JKGE CCc1cccc(CC)c1NC(=O)[C@H](C)Oc1cccnc1NC(=O)Oc1ccc([N+](=O)[O-])cc1 1858684198 HNDXEUJOZNSWFG-INIZCTEOSA-N 478.505 5.132 50 10 JKGE CCN1CCN(c2cc(Nc3ccc(SC#N)cc3)nc(-c3ccc(Cl)cc3)n2)CC1 1859834040 YUSUOHRIUBBQRG-UHFFFAOYSA-N 450.999 5.256 50 10 JKGE CCCOc1c(OC)cccc1[C@H]1C(C#N)=C(N)Oc2c1c(CC)nn2-c1ccc(Cl)cc1 1865693730 QOHQUIGCGKZIKM-NRFANRHFSA-N 464.953 5.104 50 10 JKGE CCN(CC)c1ccc([C@@H]2C(C#N)=C(N)Oc3c2c(C)nn3-c2ccc(Cl)c(Cl)c2)cc1 1865702278 RMNUOQUJKYLLSH-JOCHJYFZSA-N 468.388 5.552 50 10 JKGE N#C/C(=C\c1ccc(Br)cc1)C(=O)Nc1ccc(C(=O)OC2CCCCC2)cc1 1866128980 WFJQGLBEVGLQDV-NBVRZTHBSA-N 453.336 5.484 50 10 JKGE N#CSc1ccc(NC(=O)[C@H](NC(=O)CCc2c[nH]c3ccccc23)c2ccccc2)cc1 1866573551 QJUFPRZHGXENAR-RUZDIDTESA-N 454.555 5.170 50 10 JKGE COc1ccc(N(C)c2cc(Nc3ccc(SC#N)cc3)nc(Cc3ccccc3)n2)cc1OC 1868207232 KOJAUIPTHBLSJV-UHFFFAOYSA-N 483.597 6.169 50 10 JKGE CC(C)OC(=O)c1ccc(/C(C#N)=C/c2ccc(OCc3ccc(Cl)cc3Cl)cc2)o1 1872728845 XKSVLHVLUJLSLF-WOJGMQOQSA-N 456.325 6.795 50 10 JKGE CC(C)[C@H](/C(O)=C(\C#N)c1nc(-c2ccc(Cl)cc2)cs1)N1C(=O)c2ccccc2C1=O 1872748101 IMILTTFUTBLBFP-HWCXCKHPSA-N 463.946 5.577 50 10 JKGE COc1c(Cl)cc(-c2csc(/C(C#N)=C(O)/C=C/c3ccc(C(C)(C)C)cc3)n2)cc1Cl 1872756120 RWVGYNHYEHIOED-ZZGPAQPISA-N 485.436 7.929 50 10 JKGE COc1cc(/C=C(\C#N)c2nc(-c3ccccc3OC)cs2)ccc1OCc1ccc(Cl)cc1 1872784531 RWTZKMIJIRVMOJ-DEDYPNTBSA-N 488.996 7.124 50 10 JKGE N#C/C(=C\c1ccccc1OCc1ccc(Cl)cc1)c1nc(-c2c[nH]c3ccccc23)cs1 1872791195 BAJCNHHMJGRVTA-DEDYPNTBSA-N 467.981 7.588 50 10 JKGE CCCCCOc1ccc(/C=C(\C#N)c2nc(-c3cc(OC)ccc3OC)cs2)cc1OCC 1872791872 WNFKOASNBICOQS-XSFVSMFZSA-N 478.614 6.859 50 10 JKGE CCCCOc1ccc(/C=C(\C#N)c2nc(-c3cc(Cl)cc(Cl)c3OC)cs2)cc1 1872792493 BQHYQSWUWABAOX-MHWRWJLKSA-N 459.398 7.369 50 10 JKGE CCc1nn(C)c([C@H](Br)c2cc(Br)c(OC)s2)c1Br 1877185875 KMOVOJHPDVYPGZ-SNVBAGLBSA-N 473.028 5.062 50 10 JKGE O=C(N[C@@H](CCBr)COCc1ccccc1)c1cc(Br)c(Cl)s1 1902775143 BHPMBKHWNDCFCP-LBPRGKRZSA-N 481.637 5.264 50 10 JKGE Fc1cc(Br)c2nc(CCCl)n([C@H]3CCCN(Cc4ccccc4)C3)c2c1 1912687930 SWKUBJGSVZKXMG-KRWDZBQOSA-N 450.783 5.556 50 10 JKGE Cc1c(Br)sc([C@H](Br)[C@@H]2CCCCC2(C)C)c1Br 1922953725 HAXPYKPWLMPPAZ-GXSJLCMTSA-N 459.085 7.234 50 10 JKGE COc1cccc(OC)c1[C@@H](Br)c1sc(Br)cc1Br 1922954698 QZLZBQJIAQVVDS-GFCCVEGCSA-N 471.008 5.775 50 10 JKGE COc1ccc([C@@H](Br)c2c(Br)sc(Br)c2Cl)cc1C 1923073567 XZSMXOPLCWNRCW-SNVBAGLBSA-N 489.454 6.728 50 10 JKGE Cl[C@H](Cc1ccncc1Br)c1cc(Br)cc(Br)c1 1924047385 LJQXUPYEEAJIEJ-CYBMUJFWSA-N 454.387 5.892 50 10 JKGE CC1([C@H](Br)c2c(Br)sc(Br)c2Br)CC(F)C1 1924568148 CBONANAAFLDTBQ-POUYQYJTSA-N 499.863 6.610 50 10 JKGE Cl[C@H](c1c(Br)sc(Br)c1Br)C1[C@H]2[C@H]3CC[C@@H](C3)[C@H]12 1924585434 LOZZVMWDLDIFRK-QIMCWZKGSA-N 475.471 6.608 50 10 JKGE CCOc1ccccc1[C@@H](Cl)c1c(Br)sc(Br)c1Br 1924596688 RUFNEGBNEVFCQA-LLVKDONJSA-N 489.454 6.763 50 10 JKGE Cl[C@H](c1c(Br)sc(Br)c1Br)[C@H]1C[C@H]2CC[C@H]1O2 1924605903 YMAVQCGEGDNFNE-HOCYRETQSA-N 465.432 5.883 50 10 JKGE Cl[C@@H](C[C@@H]1C[C@H]1C1CC1)c1c(Br)sc(Br)c1Br 1924612912 OZELRXHUAWBQIE-FXQIFTODSA-N 463.460 6.752 50 10 JKGE Fc1cc([C@H](Br)c2c(Cl)sc(Br)c2Cl)cc(F)c1F 1925589604 LEENHGUBSQHDEY-ZETCQYMHSA-N 454.920 6.719 50 10 JKGE Clc1sc(Br)c(Cl)c1[C@@H](Br)c1cccc2ccccc12 1925599755 ORHMRWGYDYRRQR-LBPRGKRZSA-N 451.010 7.455 50 10 JKGE Clc1ccc(Br)c([C@H](Br)c2sc(Cl)cc2Br)c1 1948828707 MIHRNBHBGGYYAX-JTQLQIEISA-N 479.846 7.064 50 10 JKGE CC[C@H](C)N(Cc1ccccc1)S(=O)(=O)c1ccc(CBr)cc1Br 2009658544 QIDYRMKNFKMNQL-AWEZNQCLSA-N 475.246 5.333 50 10 JKGE C[C@H](NCCSSCCNC(=O)OC(C)(C)C)c1ccc(NC(=O)OC(C)(C)C)cc1 2010825258 IKJFZIVEIQSNEG-INIZCTEOSA-N 471.689 5.590 50 10 JKGE FC1(F)CC2(C[C@H]2[C@@H](Br)c2sc(Br)cc2Br)C1 2015435821 QNANLPCYMXGBSK-YLWLKBPMSA-N 450.968 6.145 50 10 JKGE FC1(F)[C@@H]([C@H](Br)c2cc(Br)sc2Br)C12CCCC2 2036157444 SQJUEBMSTDYMBA-BDAKNGLRSA-N 464.995 6.535 50 10 JKGE Cc1c([C@H](Br)c2c(Cl)sc(Cl)c2Cl)nn(C)c1Br 2049254910 CZBDZEGELVVGKU-RXMQYKEDSA-N 453.414 5.997 50 10 JKGE N#CC(C(=O)Nc1cccc2ccccc12)=C1C(=O)N(Cc2ccccc2Cl)c2ccccc21 2053622723 MJBDXEPZGAAMJX-UHFFFAOYSA-N 463.924 5.956 50 10 JKGE COc1c(Br)cc(C)cc1[C@H](Br)c1sncc1Br 2083458736 YTZYRRPJESNPJK-JTQLQIEISA-N 455.997 5.469 50 10 JKGE CC(C)Cc1ccc([C@@H](Br)c2ccc(I)c(Cl)c2)s1 2087333175 QZYBBUBQUNUDMU-HNNXBMFYSA-N 469.613 6.689 50 10 JKGE C[C@@H]1[C@@H](Br)C[C@H]2CC[C@H]1N2Cc1cccc(Br)c1Br 2092340780 UNOUROQMXQAOBD-QIRAZROLSA-N 452.028 5.348 50 10 JKGE COCCCCCC(CBr)(CBr)c1cccc(Br)c1 2099280535 LKIGGCWZCHDRNP-UHFFFAOYSA-N 457.044 5.684 50 10 JKGE Cc1cc2sc([C@H](Cl)c3sc(Br)c(C)c3Br)cc2s1 2100321565 BYPRRMLUWULIRO-NSHDSACASA-N 456.677 7.494 50 10 JKGE C[C@H]1[C@H](n2c(CCl)nc3cc(Cl)c(Br)cc32)CCN1Cc1ccccc1 2112701688 NBADHQRSFNPFTP-SCLBCKFNSA-N 453.211 6.027 50 10 JKGE Cc1nc([C@@H](Br)c2cc(Cl)c(Cl)c(Cl)c2Cl)c(Br)s1 2113189414 KMFUURYVKFMOJW-LURJTMIESA-N 484.855 7.312 50 10 JKGE FC1(F)CCC[C@@H]2[C@H]([C@H](Cl)c3c(Br)sc(Br)c3Cl)[C@@H]21 2114390788 BVFHIUVNFSQILA-ROHCDXGRSA-N 454.989 6.888 50 10 JKGE Clc1ccc([C@@H](Br)CCc2cc(Br)ccc2Br)cc1 2118533467 ZNCWCQRNRPYZCD-AWEZNQCLSA-N 467.426 6.934 50 10 JKGE Cc1c(CBr)cccc1S(=O)(=O)N(Cc1ccccc1)Cc1cccs1 2123206410 QMCRKLXIZNFTRU-UHFFFAOYSA-N 450.423 5.343 50 10 JKGE Clc1cc(C[C@@]2(CBr)CCC=CCCC2)ccc1I 2142939907 KIBWALNRYBVTDT-MRXNPFEDSA-N 453.589 6.389 50 10 JKGE C[C@@H]1[C@@H](Br)C[C@H]2CC[C@H]1N2Cc1ccc(I)c(Cl)c1 2142942522 DSKPFRVJJCQNFA-ADGXKJENSA-N 454.577 5.081 50 10 JKGE O=C(N[C@@H]1CCCC[C@H]1CCBr)c1cc(Cl)ccc1I 2146718810 KCBNUFSVRKEHPH-IINYFYTJSA-N 470.576 5.018 50 10 JKGE Brc1scc([C@H](Br)c2cnn(-c3ccccc3)c2)c1Br 2150341511 DUDHWQPDPAERCR-GFCCVEGCSA-N 477.019 5.943 50 10 JKGE O=C(c1c(Br)cccc1Br)N(CCBr)C1CCCCC1 2150490788 IULCOXIOHOAUHC-UHFFFAOYSA-N 468.027 5.381 50 10 JKGE Brc1ccc(Br)c([C@H](Br)[C@@H]2C[C@@H]3CCCCCC[C@@H]32)c1 2166130418 UFMIVIZERMUWME-HVOFVXBASA-N 465.067 7.254 50 10 JKGE C[C@@]12CN(Cc3ccccc3)C[C@@]1(C)CN(c1cc(Br)cc(F)c1CBr)C2 2170695306 MQRKKPJTXIHTHF-VXKWHMMOSA-N 496.262 5.832 50 10 JKGE Cc1cc(Br)c(C)c([C@H](Br)c2cc3sccc3s2)c1Br 2201068054 CPJCKWMYKWYVLH-OAHLLOKOSA-N 495.099 7.589 50 10 JKGE Cc1ccc([C@H](Br)c2c(C)c(Br)cc(C)c2Br)c(C)c1 2201071737 GSSJWPYGTNRVRL-KRWDZBQOSA-N 461.035 6.930 50 10 JKGE Fc1cc(Br)c([C@H](Br)Cc2ccc(Br)cc2)c(F)c1Cl 2201618830 LKBHXOZAEZZTEM-SECBINFHSA-N 489.379 6.822 50 10 JKGE Brc1ccc([C@H](Br)[C@H]2CCCc3ccccc32)c(Br)c1 2203686024 MENZVWNFOSOMSA-WMLDXEAASA-N 459.019 6.768 50 10 JKGE CCOCc1cc(Br)c([C@@H](Br)c2cc(Br)cs2)s1 2217983548 OJUAOFSMBBSVLY-NSHDSACASA-N 475.065 6.355 50 10 JKGE Brc1cc([C@H](Br)[C@@H]2C[C@H]3CCC[C@H](C3)C2)sc1Br 2218346449 OKAQSPDAOTZCGC-KEPMVKOISA-N 457.069 6.926 50 10 JKGE Cc1sc(Br)cc1[C@H](Cl)c1cc(Br)c(Br)cc1F 2218606849 WHIFXKMDOIWRMT-LBPRGKRZSA-N 477.418 6.811 50 10 JKGE Fc1cc(Br)c(Br)cc1[C@@H](Br)Cc1cccc(Cl)c1 2225616239 DQNWKPGAVMRIIE-NSHDSACASA-N 471.389 6.683 50 10 JKGE Fc1cc(Br)c(Br)cc1[C@H](Br)[C@@H]1C[C@H]2C[C@H]1[C@@H]1C[C@H]21 2225620046 QBIFLKAGEYCDDG-OQKHVIGSSA-N 452.987 6.079 50 10 JKGE Clc1c(Br)ccc(CBr)c1N1C[C@@H]2CCC[C@H](C1)N2Cc1ccccc1 2226353873 ZDHVSVDSBPGOFV-HDICACEKSA-N 498.690 6.241 50 10 JKGE CC(C)(C)OC(=O)N1CCC[C@](CI)(O[C@H]2CCC[C@H](C(F)(F)F)C2)C1 2231383409 IDWMCOUSBYKEMR-GRDNDAEWSA-N 491.332 5.329 50 10 JKGE COc1ccc([C@@H](Br)c2cc(C)ccc2I)c(Cl)c1 2232222442 IUVNQGLQXDJHPV-OAHLLOKOSA-N 451.529 5.746 50 10 JKGE CCO[C@@H]1CC[C@H]([C@@H](Br)c2c(Br)cc(Cl)c(Cl)c2Cl)C1 2232510539 HPMILWYJUIINFF-JOAULVNJSA-N 465.440 7.051 50 10 JKGE Clc1cc(Br)c([C@@H](Br)C2(CC3CC3)CCC2)c(Cl)c1Cl 2232518145 ZZXNITAZOYTBQP-CQSZACIVSA-N 461.452 7.816 50 10 JKGE Clc1cc(Br)c([C@H](Br)[C@]23CCC[C@@H]2OCC3)c(Cl)c1Cl 2232518937 HXCAOJLLIOOWBR-HERUPUMHSA-N 463.424 6.805 50 10 JKGE CCn1ncc(Br)c1[C@H](Cl)c1c(Br)cc(Cl)c(Cl)c1Cl 2232519617 LMBGNWDFZSXLAZ-LLVKDONJSA-N 481.830 6.716 50 10 JKGE ClCCc1nc2cc(Br)c(Br)cc2n1CC1(Br)CCC1 2234064853 HCLBKBPCTNSYIM-UHFFFAOYSA-N 485.445 5.660 50 10 JKGE CC(C)(C)OC(=O)N1C[C@@H](Br)[C@H](OCc2cc(Br)ccc2Cl)C1 2245931105 QTSMJQXGCSAPRK-TZMCWYRMSA-N 469.601 5.002 50 10 JKGE COc1ccc([C@H](Br)c2ccc(Br)o2)cc1I 2248890516 WUNWMKNQBXFLNX-LBPRGKRZSA-N 471.914 5.140 50 10 JKGE Clc1ccc([C@H](Br)Cc2c(Cl)cccc2Cl)cc1I 2268322790 ILFLMVYWFWZCKJ-SNVBAGLBSA-N 490.393 6.930 50 10 JKGE CC1(C)CC[C@@H]([C@H](Br)c2c(F)cc(Br)c(F)c2Br)C1 2272856044 RDCOLDPBUPZCFR-HQJQHLMTSA-N 460.982 6.752 50 10 JKGE C[C@]1([C@@H](Br)Cc2cc(Br)cc(Br)c2)C[C@@H]1C(F)(F)F 2277964336 DTYBPOQVBIJJJB-SRVKXCTJSA-N 464.945 6.106 50 10 JKGE Cn1nc([C@@H](Br)c2cc3sc(Br)cc3s2)c(Cl)c1Cl 2278113735 YZTSUYMFBBDQDU-QMMMGPOBSA-N 461.031 6.250 50 10 JKGE Cc1cc(Br)c([C@@H](Cl)c2ccc(F)cc2I)c(C)c1F 2279138112 WYDDDFQCZLIETC-AWEZNQCLSA-N 471.510 6.277 50 10 JKGE CCOc1ccc([C@@H](Br)c2cccc(Cl)c2Br)cc1Br 2283188258 LAJSVUVWIJGYAR-CQSZACIVSA-N 483.425 6.748 50 10 JKGE COc1ccc([C@H](Br)c2ccc(Br)c(F)c2)c(Br)c1Cl 2283564531 UEYNNYVUNSQPIJ-GFCCVEGCSA-N 487.388 6.497 50 10 JKGE COc1c([C@H](Br)c2sc(C)cc2Br)cc(Br)c(C)c1C 2284522385 HUNONFDPESRXSO-ZDUSSCGKSA-N 483.063 6.691 50 10 JKGE C[C@H](Br)CN(CCC(C)(C)C)C(=O)c1csc(Br)c1Br 2288054534 KVQMAHASVTWWNG-VIFPVBQESA-N 490.099 5.935 50 10 JKGE Fc1cc(Br)c(F)c(Br)c1[C@H](Br)[C@H]1C(F)(F)C12CCC2 2288499450 UIZHXPSFEGYPJN-GXSJLCMTSA-N 480.919 6.361 50 10 JKGE COc1cc(OC)c([C@@H](Cl)c2scc(Br)c2Cl)cc1Br 2295427516 FQEWGGHWXRNUEO-LLVKDONJSA-N 461.002 6.272 50 10 JKGE CCCCCOc1ccc(C=C(C#N)C(=O)Nc2scc(-c3ccccc3)c2C(=O)OCC)cc1 2296500371 MEQKRCMXNYOAAR-UHFFFAOYSA-N 488.609 6.706 50 10 JKGE CCOc1ccc(NC(=O)C(C#N)=C2S[C@@H](Cc3ccccc3)C(=O)N2c2ccccc2)cc1 2297462696 OZBRAQAPNFLXBG-DEOSSOPVSA-N 469.566 5.150 50 10 JKGE CCOC(=O)c1c(-n2c(C)cc(C=C(C#N)C(=O)Nc3ccccc3F)c2C)sc(C)c1C 2297617455 AVLJEIHZXNSJDF-UHFFFAOYSA-N 465.550 5.634 50 10 JKGE FC(F)(F)C(F)(F)[C@@H](Br)c1ccc(OCc2ccccc2)cc1Br 2299498900 WMBOJXHEZOVHLK-AWEZNQCLSA-N 474.061 6.662 50 10 JKGE Brc1cc(OCc2ccccc2)ccc1[C@H](Br)C[C@@H]1C[C@@H]1C1CC1 2299503259 DIYSUUPTYUGRMX-PWIZWCRZSA-N 450.214 6.900 50 10 JKGE Brc1ccc(OCc2ccccc2)c([C@@H](Br)[C@H]2CCCOCC2)c1 2299505407 WPVVANRTQKRQBF-JXFKEZNVSA-N 454.202 6.281 50 10 JKGE CC(C)(C)OC(=O)NC[C@@](C)(CI)OCc1cc(F)c(Cl)cc1Cl 2306242237 VHCRWEYATXNUPB-MRXNPFEDSA-N 492.156 5.368 50 10 JKGE Cc1cc(C=C(C#N)C(=O)Nc2ccc(Cl)cc2)c(C)n1-c1ccc(N2CCOCC2)cc1 2313624469 URXOPPDPARRITR-UHFFFAOYSA-N 460.965 5.130 50 10 JKGE CCOC(=O)C(C#N)=Cc1cn(-c2ccccc2)nc1-c1cccc(OCc2ccc(Cl)cc2)c1 2314478801 WBOOOIXYKARYPF-UHFFFAOYSA-N 483.955 6.242 50 10 JKGE N#CC(=Cc1ccc(-c2cc(Cl)cc(Cl)c2)o1)C(=O)Nc1ccc(C(F)(F)F)c(Cl)c1 2314571309 DAUKUAFKEZWBLD-UHFFFAOYSA-N 485.676 7.471 50 10 JKGE COc1cc(C=C2C(=O)N(CC(C)C)C(=O)C(C#N)=C2C)ccc1OCc1ccc(Cl)cc1Cl 2314611103 QOIBULMWHOGHBQ-UHFFFAOYSA-N 499.394 5.829 50 10 JKGE Cc1ccc(F)c([C@H](Br)c2sc(Cl)cc2I)c1F 2316598979 KLTFOHOCGKLVDK-JTQLQIEISA-N 463.512 6.077 50 10 JKGE FC1(F)[C@H]2C[C@@H]([C@@H](Br)c3sc(Cl)cc3I)CC[C@H]21 2316600766 KLNYRBFRDJRWNV-HEZDBXPZSA-N 467.544 6.124 50 10 JKGE Clc1ccc([C@H](Br)c2ccc(C3CC3)s2)c(I)c1 2317775975 RUNDURHZRGYIHI-AWEZNQCLSA-N 453.570 6.368 50 10 JKGE N#CC(=Cc1cccc(OC(=O)C=Cc2ccc(OCc3ccccc3)cc2)c1)c1cccc(Cl)c1 2320506091 BKRSPNWYXFEQDM-UHFFFAOYSA-N 491.974 7.602 50 10 JKGE COc1cc(C=NNC(=O)c2ccc(-c3ccc(F)cc3F)nc2C)ccc1OCc1ccccc1 2321244554 VMGXDOMMTRVPRM-UHFFFAOYSA-N 487.506 5.687 50 10 JKGE Brc1cccc(Br)c1CN1CC[C@H]2C[C@@H](Br)CC[C@H]21 2328779292 MRSNHNXURAKDNS-ZIBATOQPSA-N 452.028 5.350 50 10 JKGE CC(C)(C)OC(=O)N1CCC[C@H]1C(=O)NN=Cc1ccc(OCc2c(Cl)cccc2Cl)cc1 2328829524 ZMFCFZWGFBYLBV-NRFANRHFSA-N 492.403 5.422 50 10 JKGE COC(=O)c1ccc(C(C#N)=Cc2ccc(OC)c(OCc3ccc(Cl)c(Cl)c3)c2)o1 2331048473 KSRSKKLFUTWLCP-UHFFFAOYSA-N 458.297 6.025 50 10 JKGE CCCc1ccc(OCC(O)=C(C#N)c2nc(-c3cccc(Br)c3)cs2)cc1 2331279041 ZYCNLKXSIZNHQD-UHFFFAOYSA-N 455.377 6.397 50 10 JKGE CCOc1cc(C(O)=C(C#N)c2nc(-c3ccc(Cl)s3)cs2)cc(OCC)c1OCC 2331400808 XPFWVJLKFXUZSD-UHFFFAOYSA-N 477.007 6.671 50 10 JKGE COc1cc(C=C(C#N)c2nc(-c3ccc(C(C)(C)C)cc3)cs2)ccc1OCc1ccccc1 2331453498 ZCQSUFXGWQWDDS-UHFFFAOYSA-N 480.633 7.759 50 10 JKGE CCOc1cc(C=C(C#N)c2nc(-c3ccc(Cl)s3)cs2)cc(Br)c1O 2331485189 ZOTOJZCGJLZJET-UHFFFAOYSA-N 467.797 6.456 50 10 JKGE Fc1c(Br)cc(Cl)c([C@@H](Br)C2C3(CC3)C23CC3)c1Br 2337091195 WUPRZSQVIUIZMZ-SNVBAGLBSA-N 473.405 6.630 50 10 JKGE C[C@@H](Br)C[C@H]1CCCCN1Cc1ccc(Cl)c(I)c1 2337221480 PMMXZLISSMRKHP-DGCLKSJQSA-N 456.593 5.473 50 10 JKGE FC(F)(F)C1([C@H](Br)c2sc(Cl)cc2I)CCCCC1 2338566684 PMRMXJPLEOYAIH-SNVBAGLBSA-N 487.550 6.955 50 10 JKGE Cc1cc(Br)c([C@@H](Br)[C@@H]2CC[C@@H]3[C@H]2C3(F)F)c(C)c1Br 2358668246 NJVGFROJRNZQQZ-KZOHCQCBSA-N 472.993 6.556 50 10 JKGE O=S1(=O)CCC[C@H]([C@H](Cl)c2c(Cl)cc(Br)c(F)c2Br)C1 2362228735 PAEASOXAHDUNQH-KGFZYKRKSA-N 468.997 5.109 50 10 JKGE COC1(C[C@@H](Br)c2c(Cl)cc(Br)c(F)c2Br)CCCC1 2362230048 XBIMWYSJOYBQCN-SECBINFHSA-N 493.436 6.789 50 10 JKGE CC(C)CO[C@H]1[C@@H](OCc2cc(Br)cc(Br)c2)C[C@H]1Br 2362241530 XRGYWFHYRFKUFY-QLFBSQMISA-N 471.027 5.305 50 10 JKGE COc1ccc([C@H](Br)c2c(Br)c(Br)nn2C)c(C)c1C 2364049500 BYBOSASLIMMZKR-NSHDSACASA-N 466.999 5.055 50 10 JKGE Cc1ccc([C@H](Br)c2c(C)cc(Br)c(F)c2Br)c(Cl)c1 2365187244 YHOGRYLPEDWYSL-ZDUSSCGKSA-N 485.416 7.105 50 10 JKGE COc1c(Br)cc(C)c([C@H](Br)c2ccccc2C)c1Br 2365187577 BOFGSDFWIFFQAR-CQSZACIVSA-N 463.007 6.321 50 10 JKGE O=C(c1csc(Br)c1Br)N1C[C@@H]2C[C@H](CBr)C[C@@H](C2)C1 2369311919 AMTQDYDHQYVBCP-ILWJIGKKSA-N 486.067 5.156 50 10 JKGE Cc1cccc(C[C@H](CBr)Cc2cc(I)ccc2Cl)c1 2380466512 MURZRKWTPXQENR-AWEZNQCLSA-N 463.584 6.049 50 10 JKGE CCOC(=O)c1c(-c2ccc(CC)cc2)csc1NC(=O)/C(C#N)=C/c1ccc(OCC)cc1 1974892 GMXBOLSZALOZQO-RCCKNPSSSA-N 474.582 6.099 50 10 JKGE CCSc1sc(CC)cc1[C@H]1C(C#N)=C(N)N(c2ccccc2)C2=C1C(=O)CC(C)(C)C2 9981182 YHNGNGFITTXBGD-QFIPXVFZSA-N 463.672 6.363 50 10 JKGE CCc1ccc([C@@H]2C(C#N)=C(N)N(c3cccc(Cl)c3)C3=C2C(=O)C[C@@H](c2ccccc2)C3)s1 9981599 WDINAACLTSBIRY-QYBDOPJKSA-N 486.040 6.662 50 10 JKGE CC[C@@H](Oc1ccccc1[C@H](C)CC)C(=O)NNC(=O)CCC(=O)Nc1ccc(Cl)cc1Cl 10683440 LXPKZWSBZFIXND-FOIQADDNSA-N 494.419 5.231 50 10 JKGE CC(C)CCOc1ccc(Br)cc1C(=O)NNC(=O)c1ccc(Cl)cc1Cl 14650681 SCAUUISVLLGMMB-UHFFFAOYSA-N 474.182 5.256 50 10 JKGE Cc1ccc(N2C(=O)[C@H](Cc3ccccc3C)S/C2=C(\C#N)C(=O)Nc2ccc(Cl)cc2)cc1 16739808 JRXYBCVCCYDMTE-BSSRNLCFSA-N 488.012 6.022 50 10 JKGE N#C/C(=C/c1cccc(OC(=O)c2cc(C(F)(F)F)cc(C(F)(F)F)c2)c1)c1ccccc1F 31902838 CYEKBNVTRXBIRW-PXNMLYILSA-N 479.351 7.147 50 10 JKGE CCOc1ccc(NC(=O)/C(C#N)=C\c2cn(Cc3ccc(Cl)cc3)c3ccccc23)cc1 33351637 ZJOXUESQDGNSBN-HKWRFOASSA-N 455.945 6.287 50 10 JKGE C[C@H](Cl)c1nc2cc(Br)ccc2n1-c1cccc(I)c1 36910568 LDXYLARGJBIDNU-VIFPVBQESA-N 461.528 5.692 50 10 JKGE CCCOc1ccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)COc4ccccc4Cl)ccc32)cc1 38650658 SJOKKYJXRGPFMH-SANMLTNESA-N 490.943 5.331 50 10 JKGE CCc1ccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)COc4ccc(C(C)C)cc4)ccc32)cc1 38677514 HREZXQFDBCYIDO-MUUNZHRXSA-N 468.553 5.575 50 10 JKGE CCOc1ccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4ccc(C(C)(C)C)cc4)ccc32)cc1 38685609 JFOOAJQNOBQQQC-SANMLTNESA-N 468.553 5.820 50 10 JKGE Cc1c(C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@H]3c2ccc(C(C)C)cc2)oc2ccc(Cl)cc12 38687080 ZDKDDHQQUIVKJC-SANMLTNESA-N 498.966 6.955 50 10 JKGE Cc1c(C(=O)Nc2ccc(Cl)cn2)oc2c1/C(=N/NC(=O)c1ccc(-c3ccccc3)cc1)CCC2 40822715 MSWXOFHRLQYIHV-WEMUVCOSSA-N 498.970 6.026 50 10 JKGE COc1cc(/C=N/NC(=O)COc2ccccc2Cl)ccc1OCc1c(Cl)cccc1Cl 40911604 YSEACPBDKURCKT-KKMKTNMSSA-N 493.774 5.764 50 10 JKGE CC(C)(C)c1ccc(OCCCC(=O)N/N=C/c2cccc(Cl)c2)c(Br)c1 40951333 XNMBOHFXXHSNAV-ZVHZXABRSA-N 451.792 5.709 50 10 JKGE O=C(CSC1c2ccccc2-c2ccccc21)NN=C(Cc1ccccc1)Cc1ccccc1 59464664 IMHCGBLYITYWPP-UHFFFAOYSA-N 462.618 6.447 50 10 JKGE CC1CCC(NC(=O)[C@H](c2ccc(Cl)cc2)N(CCc2ccccc2Cl)C(=O)CCl)CC1 97914742 CTCJAIVKGJOBNT-PZYUZEHPSA-N 495.878 6.040 50 10 JKGE N#C/C(=C(/O)c1ccc(-c2cc(Cl)ccc2Cl)o1)c1nc(-c2ccc(Cl)cc2)cs1 100989740 CMZHSSDXINROHU-PGMHBOJBSA-N 473.768 7.980 50 10 JKGE Cc1ccccc1NC(=O)/C(C#N)=C1/S[C@@H](Cc2ccc(Cl)cc2)C(=O)N1c1ccccc1 102665889 GAQVJLPLNWHLTF-CTHAODRQSA-N 473.985 5.713 50 10 JKGE C=CCOc1ccc(-c2nn(-c3ccccc3)cc2/C=C(\C#N)c2nc3ccccc3s2)cc1C 102859559 QXLUPNPHLLDGCY-OQKWZONESA-N 474.589 7.086 50 10 JKGE COc1cccc(OC)c1[C@H](Br)c1cc(Br)sc1Br 109869991 BJSSMEHFCMZXRN-GFCCVEGCSA-N 471.008 5.775 50 10 JKGE COc1ccc([C@@H](Br)c2ccc(F)cc2Br)c(Br)c1 109877208 LMEUFSCKMQCRER-AWEZNQCLSA-N 452.943 5.844 50 10 JKGE CC[C@@H](Cl)C(=O)O[C@@H]1CC[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 118920961 AYVNXDFYJLGZKZ-MDOUDZBUSA-N 491.200 8.957 50 10 JKGE COc1ccc([C@@H](Br)c2cc(Br)c(Br)s2)c(F)c1 128869757 ABHMFNZZVCVFCW-LLVKDONJSA-N 458.972 5.905 50 10 JKGE COc1cc([C@H](Br)c2ccc(Br)s2)c(OC)cc1Br 134296149 ANTBJZGEPQTMPT-ZDUSSCGKSA-N 471.008 5.775 50 10 JKGE Fc1cccc([C@@H](Br)c2cc(Cl)c(Br)s2)c1Br 156131681 ZCMGUDZKIBHSPH-SNVBAGLBSA-N 463.391 6.550 50 10 JKGE CCN1C(=O)C(C#N)=C(C)/C(=C/c2cn(-c3ccccc3)nc2-c2ccc3ccccc3c2)C1=O 214208217 VXMOBLZMMVLNMH-XYGWBWBKSA-N 458.521 5.305 50 10 JKGE CCCCN1C(=O)C(C#N)=C(C)/C(=C/c2ccc(OCc3ccc(F)cc3)c(OCC)c2)C1=O 214230845 MAHUPYIRZNBHSA-HMAPJEAMSA-N 462.521 5.196 50 10 JKGE Cc1ccc(C)c(N/C=C(/C#N)C(=O)N2CCN(C(c3ccccc3)c3ccccc3)CC2)c1 216504049 VUMGWNJOXSZKDD-QLYXXIJNSA-N 450.586 5.057 50 10 JKGE C[C@@H]1CCCC[C@@H]1NC(=O)[C@H](c1ccccc1Cl)N(Cc1ccc(Cl)cc1)C(=O)CCl 230275205 CUHNQYISIRIYKE-HNKPZJSLSA-N 481.851 5.997 50 10 JKGE Clc1cc([C@H](Cl)c2cc(Cl)c(Br)s2)ccc1I 232344692 PMUQUMNAMGAUBA-JTQLQIEISA-N 482.395 6.750 50 10 JKGE Clc1cc([C@@H](Cl)Cc2cccc(Br)c2)ccc1I 232386301 CNXDXQSMIHBVTB-LBPRGKRZSA-N 455.948 6.230 50 10 JKGE O=C(NN=C1C(=O)N(Cc2c(Cl)cccc2Cl)c2ccccc21)c1cccc(Cl)c1 254493718 UIRZYXCQUWJKOO-UHFFFAOYSA-N 458.732 5.328 50 10 JKGE O=C(NN=Cc1ccc(OC(=O)c2cccc3ccccc23)cc1)c1ccccc1Br 254619982 GHZIPUBHIPQAIS-UHFFFAOYSA-N 473.326 5.585 50 10 JKGE CCCCN(CC)C[C@H](C(C)=NNC(=O)OC)[C@@H](c1ccccc1)c1c(O)c2ccccc2oc1=O 254738220 NFSLTZOYMBCKMZ-ISKFKSNPSA-N 493.604 5.101 50 10 JKGE C[C@@H]([C@H]1CCN(Cc2ccccc2)C1)n1c(CCCl)nc2cc(I)ccc21 313041809 RMKSAGCLLKQFAJ-WMZOPIPTSA-N 493.820 5.505 50 10 JKGE COc1cc(CBr)cc(Br)c1OCc1coc(Br)c1 380831497 TUOYMFCBVJEZOX-UHFFFAOYSA-N 454.940 5.287 50 10 JKGE Fc1ccc([C@H](Br)c2ccccc2OCc2ccccc2)cc1Br 383743681 IRIHJDBMVFXNKZ-FQEVSTJZSA-N 450.145 6.652 50 10 JKGE C=CCC(CBr)(CBr)Cc1ccc(I)cc1 387165549 MJTYELIOEYBDEB-UHFFFAOYSA-N 457.975 5.186 50 10 JKGE COc1nscc1CC(CBr)(CBr)c1cccc(Br)c1 711601281 HDQWMWIPPIALNO-UHFFFAOYSA-N 484.051 5.185 50 10 JKGE CCN(CC)c1ccc(C=NNC(=O)/C(=C/C=C\c2ccccc2)NC(=O)c2ccccc2)cc1 1082989132 YEZWKVTWAFHDED-BDCGSTJRSA-N 466.585 5.010 50 10 JKGE CCOc1cc(C=NNC(=O)Cc2ccc(Cl)cc2)ccc1OCc1ccc(Cl)cc1 1083956735 GQZRZKYESCXXHZ-UHFFFAOYSA-N 457.357 5.664 50 10 JKGE CCc1ccccc1NC(=O)/C(C#N)=C\c1cc(Br)ccc1OCc1ccc(Cl)cc1 1084383171 RZDQOKYWZDPWCH-MOSHPQCFSA-N 495.804 6.790 50 10 JKGE Cc1ccc(-c2nn(-c3ccccc3)cc2C=NNC(=O)[C@H](C)Oc2cccc3ccccc23)cc1 1084439345 IDJCNLWNTPKWBC-QFIPXVFZSA-N 474.564 5.919 50 10 JKGE O=C(NN=Cc1cccc(OCc2cccc3ccccc23)c1Br)c1cccs1 1084609355 QVIFOEVRPGAQMZ-UHFFFAOYSA-N 465.372 6.007 50 10 JKGE CCCCCN1C(=O)C(=NNC(=O)c2cc(-c3ccccc3)nc3ccccc23)c2cc(C)ccc21 1772720444 MIFAQSUAGNDLMB-UHFFFAOYSA-N 476.580 5.881 50 10 JKGE Cc1ccc2cccc(OC(=O)c3oc4c(c3C)C(=NNC(=O)c3ccccc3)CCC4)c2n1 1772744855 LNNNWSPGUDGJOS-UHFFFAOYSA-N 453.498 5.134 50 10 JKGE Cc1ccnc(NC(=O)c2oc3c(c2C)C(=NNC(=O)C(c2ccccc2)c2ccccc2)CCC3)c1 1772748905 PBSVGEGNFVKNCG-UHFFFAOYSA-N 492.579 5.532 50 10 JKGE N#CC1=C(N)Oc2c(c(C(F)(F)F)nn2Cc2ccccc2Cl)[C@H]1c1cccc2ccccc12 1865682282 LCTMVIPEWDQGLU-FQEVSTJZSA-N 480.877 5.975 50 10 JKGE Cc1ccc(Cn2nc(C(F)(F)F)c3c2OC(N)=C(C#N)[C@H]3c2ccc(Cl)c(Cl)c2)cc1 1865685257 HGNWIXRYGDXUTH-QGZVFWFLSA-N 479.289 5.784 50 10 JKGE CCn1nc(C(F)(F)F)c2c1OC(N)=C(C#N)[C@H]2c1ccc(OCc2ccccc2Cl)cc1 1865704150 ONZSEHRJIJTZNM-GOSISDBHSA-N 474.870 5.372 50 10 JKGE COc1ccc(-c2nn(-c3ccccc3Cl)c3c2[C@@H](c2ccc(C(=O)O)cc2)C(C#N)=C(N)O3)cc1 1865709481 VWHLSVLYPRTCCG-QFIPXVFZSA-N 498.926 5.118 50 10 JKGE CC(C)c1nc(Nc2ccc(SC#N)cc2)cc(N2CCN(C)[C@H](c3ccc(F)cc3)C2)n1 1868231695 OOKFYWZXDBRTPX-QFIPXVFZSA-N 462.598 5.549 50 10 JKGE Cc1c(OCc2cccc(CCl)c2)ccc2c1O/C(=C\c1ccc(-c3ccccc3)cc1)C2=O 1871437327 RZRKOAVGWIECOI-QRQIAZFYSA-N 466.964 7.596 50 10 JKGE N#C/C(=C\c1ccc(N2N=C(c3ccccc3)C[C@H]2c2ccccc2)cc1)c1ccc(Cl)cc1F 1872729395 HWBUJOIFJSFKLF-MTSDRYNISA-N 477.970 7.899 50 10 JKGE COc1ccc(/C=C(C(/O)=C(\C#N)c2nc(-c3cc(C)ccc3C)cs2)\c2ccccc2)cc1OC 1872749770 HXBZWPGLINMRDD-FRNXXMHGSA-N 494.616 7.478 50 10 JKGE COc1cc(-c2csc(/C(C#N)=C(\O)c3ccccc3Br)n2)c(OC)cc1Cl 1872754962 RKFJYDVICSNFHT-UYRXBGFRSA-N 477.767 6.193 50 10 JKGE Cc1ccc(C(C)(C)C)cc1-c1csc(/C(C#N)=C(\O)[C@@H]2CC(=O)N([C@H](C)c3ccccc3)C2)n1 1872755915 LPROOTFOEZQQEM-WYQXJXQMSA-N 485.653 6.818 50 10 JKGE COc1ccc(Cl)cc1N1C[C@H](/C(O)=C(\C#N)c2nc(-c3ccc(Cl)s3)cs2)CC1=O 1872758337 VYJFZVXEPJANNJ-RGWKGUTDSA-N 492.409 6.033 50 10 JKGE COc1cc(/C=C(\C#N)c2nc(-c3ccc(C)cc3C)cs2)ccc1OCCN1CCOCC1 1872790501 NEUYPAMHNALXCV-PXLXIMEGSA-N 475.614 5.211 50 10 JKGE COc1cc(Cl)c(C)cc1-c1csc(/C(C#N)=C/c2cc(Br)cc(OC)c2O)n1 1872794159 MPJMEKYLIDFPHE-WLRTZDKTSA-N 491.794 6.321 50 10 JKGE COc1cc(C)c(-c2csc(/C(C#N)=C/c3ccc(OCc4ccc(Cl)cc4)cc3)n2)cc1C 1872794545 IJJMKRXLHAAEDN-HYARGMPZSA-N 487.024 7.732 50 10 JKGE COc1cc(C)c(-c2csc(/C(C#N)=C/c3ccc(OCc4ccc(C)cc4)c(OC)c3)n2)cc1C 1872794851 ZWWWCFCGTOIKRU-ZVHZXABRSA-N 496.632 7.396 50 10 JKGE COc1cc(/C=C(\C#N)c2nc(-c3ccc(OC)c4ccccc34)cs2)cc(OC)c1OC 1872794939 FEDXEKOQYROIIC-GZTJUZNOSA-N 458.539 6.062 50 10 JKGE Cc1scc([C@H](Br)c2sc(Cl)cc2Br)c1Br 1902878019 XAFLKESMEBEOTL-VIFPVBQESA-N 465.457 6.781 50 10 JKGE CC(C)[C@@H](CBr)N(Cc1ccccc1)Cc1nn(C)c(Cl)c1Br 1915323513 SIBZOGIQMOTGMU-OAHLLOKOSA-N 463.645 5.258 50 10 JKGE CCC(CC)([C@H](Br)c1sc(Br)cc1Br)C(F)(F)F 1922883436 COINLABHVMQFOR-SECBINFHSA-N 472.990 7.078 50 10 JKGE Fc1ccc([C@H](Br)c2sc(Br)cc2Br)cc1Cl 1922933955 AUURBLHXSIWFOW-JTQLQIEISA-N 463.391 6.550 50 10 JKGE Cc1c(Br)sc([C@@H](Br)[C@H](C)c2ccccc2)c1Br 1922945187 DFIDWUQDUYRCIQ-KCJUWKMLSA-N 453.037 6.821 50 10 JKGE C[C@H](C[C@@H](Br)c1c(Br)sc(Br)c1Cl)C(F)F 1923075123 XBPQUOJTXUPBRQ-QWWZWVQMSA-N 461.391 6.654 50 10 JKGE C[C@@H]1COc2ccc([C@H](Cl)c3cc(Br)ccc3I)cc21 1925732880 APTGJTWABBSPSR-ABKXIKBNSA-N 463.540 5.878 50 10 JKGE FC(F)C1CC(C[C@@H](Br)c2cc(Br)c(Br)s2)C1 1926983494 KWVHDXVVWXNDDK-KPGICGJXSA-N 452.984 6.391 50 10 JKGE Cc1cc(Br)sc1[C@H](Br)c1cccc(F)c1I 1950214612 IMXBHKFFHOCYFM-SNVBAGLBSA-N 489.973 6.047 50 10 JKGE Cc1nsc(Br)c1[C@@H](Br)c1c(Br)sc(C)c1C 2024021873 DNZXBRGENCKJOV-VIFPVBQESA-N 460.054 6.139 50 10 JKGE COc1cc(C=C(C#N)c2nc(O)c3c4c(sc3n2)CCCC4)ccc1OC(=O)c1ccco1 2040446493 IQUOQYPGYGGDMX-UHFFFAOYSA-N 473.510 5.161 50 10 JKGE Fc1cc(Br)cc(N2C[C@@H]3CC[C@H](C2)N3Cc2ccccc2)c1CBr 2051133769 WRVSIXVYHCLKGL-CALCHBBNSA-N 468.208 5.336 50 10 JKGE Clc1c(Br)sc(Br)c1[C@H](Br)C1(CC2CC2)CCC1 2069471595 AVWSWAGWNCWESI-JTQLQIEISA-N 477.487 7.333 50 10 JKGE Cc1cc(Br)c(C)c([C@@H](Br)c2ccsc2Cl)c1Br 2081064508 XOVXCQCFPNTWOJ-LBPRGKRZSA-N 473.455 7.028 50 10 JKGE Fc1ccc(Cl)c([C@@H](Br)c2ccc(Br)cc2Br)c1 2083337412 IRHMQNIVSYTCGW-ZDUSSCGKSA-N 457.362 6.488 50 10 JKGE COc1cc(Br)c(C)cc1[C@@H](Br)c1cccc(OCc2ccccc2)c1 2089722978 ODHMOUZXGJNQEH-QFIPXVFZSA-N 476.208 6.829 50 10 JKGE CC(C)Cc1ccc([C@@H](Br)c2c(Br)cccc2Br)s1 2094096373 WZUNQALLGCXWRQ-OAHLLOKOSA-N 467.064 6.956 50 10 JKGE FC1(F)C[C@]12CC[C@H]([C@@H](Br)c1cc(Br)ccc1Br)C2 2099907973 LPLBBZSDUPEWOU-ZEGGKSINSA-N 458.966 6.473 50 10 JKGE Cc1cc(Br)c([C@H](Br)[C@H]2[C@H]3CCCCC[C@H]32)cc1Br 2110919318 LSHGSKDQYCWCFD-OJXGSEEGSA-N 451.040 6.782 50 10 JKGE Fc1ccc(CC[C@H](Br)c2cccc(Br)c2)c(Br)c1 2113489681 RZJVOZVMYUAXLP-AWEZNQCLSA-N 450.971 6.420 50 10 JKGE CN(C(=O)c1scc(Br)c1Br)C1CCC(CBr)CC1 2114662449 DGPJOPMUPAQEDJ-UHFFFAOYSA-N 474.056 5.299 50 10 JKGE CO[C@H]1C[C@H]([C@H](Br)c2cc(Br)ccc2Br)C[C@H]1OC 2118278114 CVZZBNDHGLCGGB-IOEYQFCTSA-N 457.000 5.088 50 10 JKGE BrC[C@@]1(Cc2cc(Br)ccc2Br)CCO[C@@H]1C1CC1 2118525876 YVQFNXHMBLTJBM-CABCVRRESA-N 453.012 5.334 50 10 JKGE Cc1cc(Br)c(C)c([C@H](Br)[C@@H]2C[C@@H]3CCC[C@@H]32)c1Br 2136369379 JJXORLDJOWEPSD-PVTKRXDGSA-N 451.040 6.701 50 10 JKGE Cc1cc(Br)c(C)c([C@H](Cl)c2cn(C)c(Br)n2)c1Br 2136378222 BSEPRKFPWIOGMT-GFCCVEGCSA-N 471.418 5.653 50 10 JKGE COc1c(Cl)cc(Br)cc1[C@@H](Cl)c1cc(Br)c(Cl)s1 2138252639 AKQISDBLPXBNJE-SNVBAGLBSA-N 465.421 6.917 50 10 JKGE COc1c(C)cc(Br)cc1[C@@H](Br)c1cc(Br)c(Cl)s1 2141645221 HHBIFBVJCALEQS-LLVKDONJSA-N 489.454 6.728 50 10 JKGE C[C@H]1Cc2cc([C@@H](Br)c3c(Br)cccc3Br)ccc2O1 2150494881 TXNMCABARYACPC-XXFAHNHDSA-N 460.991 6.019 50 10 JKGE Cc1cc(Br)c(F)c([C@@H](Br)c2cc(Br)c(Cl)cc2F)c1 2154108650 LEQHOQJMUJOGKD-ZDUSSCGKSA-N 489.379 6.936 50 10 JKGE C[C@@H](Cl)c1nc2cc(Br)c(Cl)cc2n1CC[C@@H](C)N(C)Cc1ccccc1 2160079796 SBRVVEIUCUDUSR-HUUCEWRRSA-N 469.254 6.663 50 10 JKGE C[C@@H](Cl)c1nc2cc(I)c(F)cc2n1CC1(Br)CCC1 2168178164 JSEFUJOAEXFEPO-MRVPVSSYSA-N 471.539 5.397 50 10 JKGE CCCOc1ccc([C@@H](Br)c2nc(C)sc2Br)cc1Br 2169493859 BXLYIHZCVQNSJO-GFCCVEGCSA-N 484.051 6.250 50 10 JKGE Brc1cccc([C@H](CI)O[C@@H]2COC3(CCCC3)C2)c1 2189461974 LZIRXGNOWRDMOO-GJZGRUSLSA-N 451.142 5.044 50 10 JKGE CC[C@@H](N)Cc1cc(Br)cc(Br)c1OCC1CC(Br)C1 2196936265 BZRLCABZLYQYPX-QEIKUCIBSA-N 470.043 5.044 50 10 JKGE Cc1cc(Br)c(C)c([C@H](Br)[C@H]2CCCCS2(=O)=O)c1Br 2201071520 RAODKFPYYPTSNM-BXUZGUMPSA-N 489.067 5.232 50 10 JKGE CCCC[C@H](C)CC[C@@H](Br)c1cc(I)cc2c1OCC2 2207148628 UQFJGBAAJVFGMO-BLLLJJGKSA-N 451.186 6.269 50 10 JKGE CC(C)Oc1ccc([C@H](Cl)c2ccc(Br)cc2I)cc1 2207272050 LTDJAMZIPZXQLL-INIZCTEOSA-N 465.556 6.169 50 10 JKGE COc1cc(F)c(Cl)cc1[C@@H](Cl)c1cc(I)ccc1Br 2207368587 NIZKIKNIMKMOAM-AWEZNQCLSA-N 489.937 6.183 50 10 JKGE CC(C)(C)[C@@]1(CBr)CCN(Cc2ccc(I)c(Cl)c2)C1 2208030337 RNSWYASAYUUDTJ-MRXNPFEDSA-N 470.620 5.578 50 10 JKGE Brc1c([C@@H](Br)c2cscc2OCc2ccccc2)ccc2c1CCO2 2222173772 PXDQAABZCYKVEI-HXUWFJFHSA-N 480.221 6.509 50 10 JKGE Fc1ccc([C@H](Br)c2cc(Cl)ccc2I)c(F)c1F 2225929141 IFHHSUKXFSJZLK-NSHDSACASA-N 461.446 5.846 50 10 JKGE Cc1sc([C@@H](Br)c2cc(Br)c(Cl)cc2F)c(C)c1Br 2226077169 AGFFCCBQQMGCAQ-LBPRGKRZSA-N 491.445 7.167 50 10 JKGE Cc1sc([C@H](Br)c2cc(Cl)c(Br)cc2F)c(C)c1Br 2226087149 YWEHRYLWALRDIP-GFCCVEGCSA-N 491.445 7.167 50 10 JKGE CO[C@@H]1CCC[C@@H]([C@H](Br)c2c(Br)cc(Cl)c(Cl)c2Cl)C1 2232509991 KQROGBIIFXXOLA-RWYTXXIDSA-N 465.440 7.051 50 10 JKGE CCOCc1cc(Br)c([C@H](Br)c2cccc(F)c2Br)s1 2233017788 CKEBMTFVSHUWFT-CYBMUJFWSA-N 487.026 6.433 50 10 JKGE Cc1cc(C)c(C)c([C@H](Br)c2cc(Br)c(Br)cc2F)c1 2233973989 CKSMJUGYLJJSSL-INIZCTEOSA-N 464.998 6.760 50 10 JKGE Fc1cc(Br)c(Br)cc1[C@@H](Br)[C@H]1CCn2nccc2C1 2233982542 WTJLICVAEUZJFI-RTHLEPHNSA-N 466.974 5.246 50 10 JKGE Fc1cc(Cl)c(Br)cc1[C@@H](Cl)Cc1ccc(Br)cc1Cl 2237457123 CCUDJTDUSVQJJU-LBPRGKRZSA-N 461.383 7.180 50 10 JKGE Cc1sc([C@@H](Br)c2cccc(Cl)c2Br)c(Br)c1C 2256139790 ZNOHOEVYZNTLGU-LBPRGKRZSA-N 473.455 7.028 50 10 JKGE CS(=O)(=O)c1cscc1[C@H](Cl)c1c(Br)sc(Br)c1Cl 2272851133 FGSVEQPRDXAPOP-ZETCQYMHSA-N 485.071 5.720 50 10 JKGE Fc1cc(C[C@H](Cl)c2ccc(Br)cc2I)ccc1Cl 2277805941 BRAPMXMMOHGNJS-LBPRGKRZSA-N 473.938 6.369 50 10 JKGE Fc1cc(Br)ccc1CO[C@H](CI)c1ccc(Cl)cc1 2281374309 VZNHYRSJPZXJRH-OAHLLOKOSA-N 469.519 5.935 50 10 JKGE COc1c(Br)cc(C)cc1[C@H](Cl)c1c(F)cccc1I 2282895745 BEXGLIAWSUPDIR-AWEZNQCLSA-N 469.519 5.838 50 10 JKGE Brc1cc(Br)cc(C[C@@H](Br)c2ccc3c(c2)OCO3)c1 2295338160 SJTSTXDSYDPNET-CYBMUJFWSA-N 462.963 5.619 50 10 JKGE COC(=O)c1ccc(C(=O)OC)c(NC=C(C#N)c2nc(-c3ccc(Cl)c(Cl)c3)cs2)c1 2295948621 XLPKVWCPRDQSHD-UHFFFAOYSA-N 488.352 5.667 50 10 JKGE Cc1ccc(C(=O)COc2ccc(C=C(C#N)c3nc(-c4ccc5c(c4)OCO5)cs3)cc2)cc1 2296801641 YMHGWRIJOFBSTK-UHFFFAOYSA-N 480.545 6.173 50 10 JKGE Clc1cc(Br)cc([C@H](Cl)c2sc(Cl)cc2I)c1 2300954681 AVBXPKMCPMHNSH-JTQLQIEISA-N 482.395 6.750 50 10 JKGE Cc1c(Br)ccc([C@@H](Br)[C@@H]2C[C@@H]2C(F)(F)F)c1Br 2311918575 ADVKDQGSCUGKRA-VHSKPIJISA-N 450.918 6.154 50 10 JKGE CCCN[C@H](c1cc(Br)ccc1OCc1ccccc1)C1CC(Br)C1 2314443954 LTQDQQRBCXXEMR-IAYYMHMVSA-N 467.245 6.242 50 10 JKGE FC(F)(F)[C@H]1CCc2c(OCc3ccccc3)ccc(Br)c2[C@@H](Br)C1 2314484164 MYEABFWBVBNJSH-BBRMVZONSA-N 478.146 6.979 50 10 JKGE Fc1cc(Br)cc([C@H](Cl)c2cc(Br)ccc2OCc2ccccc2)c1 2314503362 RKYJCGMVLUCIED-FQEVSTJZSA-N 484.590 7.258 50 10 JKGE CCc1ccc(N2C(=O)[C@@H](Cc3cccc(C)c3)SC2=C(C#N)C(=O)NCc2ccccc2)cc1 2314593190 JBFHZCYMAVJWCI-AREMUKBSSA-N 481.621 5.300 50 10 JKGE N#CC1=C(N)Oc2cc(OC(=O)C=Cc3ccccc3)ccc2[C@@H]1c1cccc(Br)c1 2314634115 NRAJPDYCYAGUGB-DEOSSOPVSA-N 473.326 5.286 50 10 JKGE Cc1cc(Br)c([C@@H](Cl)c2sc(Cl)cc2I)cc1Cl 2316775608 USLDDAUDJILQRU-LLVKDONJSA-N 496.422 7.059 50 10 JKGE COC1(C(F)(F)[C@H](Br)c2sc(Cl)cc2I)CCC1 2316777437 NFYPNDUJDIGXHR-SECBINFHSA-N 471.532 5.647 50 10 JKGE Cc1ccc(COc2ccccc2C=NNC(=O)c2ccc3[nH]c4c(c3c2)C[C@@H](C)CC4)cc1 2323166511 IAVORGSEOMWOFI-FQEVSTJZSA-N 451.570 5.944 50 10 JKGE COc1c(Cl)cc(Cl)cc1-c1csc(C(C#N)=C(O)c2cccc3ccccc23)n1 2331364200 RAHXNPWTOJDNHW-UHFFFAOYSA-N 453.350 7.229 50 10 JKGE Cc1ccc(-c2csc(C(C#N)=C(O)c3ccc(N4CCOCC4)c([N+](=O)[O-])c3)n2)cc1C 2331385183 HRSGURFDGKDYQG-UHFFFAOYSA-N 462.531 5.122 50 10 JKGE CCCCc1ccc(N2C[C@@H](C(O)=C(C#N)c3nc(-c4c(C)cc(C)cc4C)cs3)CC2=O)cc1 2331393937 KDMUWFYQPPEKDI-QFIPXVFZSA-N 485.653 6.924 50 10 JKGE Cc1ccccc1COc1ccc(C=C(C#N)c2nc(-c3cccc4ccccc34)cs2)cc1 2331456926 WZLCKXUJBZUMPS-UHFFFAOYSA-N 458.586 7.915 50 10 JKGE CCCc1ccccc1[C@H](Br)c1ccc(OCc2ccccc2)cc1Br 2336052976 FVAUHLICMVECSW-QHCPKHFHSA-N 474.236 7.465 50 10 JKGE C=CC[C@]1(CBr)CCN(Cc2ccc(Cl)c(I)c2)C1 2337221398 OFIHNCRXBZHWOD-OAHLLOKOSA-N 454.577 5.108 50 10 JKGE COc1ccc(C)cc1[C@H](Br)c1ccc(Cl)cc1I 2340064165 OQBBLGZFEDZALY-OAHLLOKOSA-N 451.529 5.746 50 10 JKGE CN(Cc1c(Br)cccc1Br)C[C@H](CBr)C(C)(C)C 2340605685 IJMUKGAIFMFMSH-NSHDSACASA-N 456.060 5.701 50 10 JKGE CC(C)(CC(F)(F)F)[C@@H](Cl)c1c(Cl)cc(Br)c(F)c1Br 2362228119 LXVAVYPOSPWNEB-JTQLQIEISA-N 460.918 7.263 50 10 JKGE CCCN[C@@H](c1c(Cl)cc(Br)c(F)c1Br)[C@H]1C[C@@H](Br)C1 2362250986 HUXSFTNWEAUIAA-CYVIZDSUSA-N 492.452 6.218 50 10 JKGE CCOc1ccc([C@H](Cl)c2c(Br)c(Br)nn2C)c(Br)c1 2364063075 FVSAKCXBVLAQQW-NSHDSACASA-N 487.417 5.435 50 10 JKGE Cc1cc(Br)c(F)c(Br)c1[C@H](Br)[C@@H]1CCC[C@@H](C)CC1 2365223028 JPTZPACNYSWJAS-GLXFQSAKSA-N 471.046 7.312 50 10 JKGE O=C(Nc1ccc(Cl)cc1CBr)c1ccc(Cl)cc1I 2365592006 JXUGSPQCPOMDMR-UHFFFAOYSA-N 484.946 5.745 50 10 JKGE Cc1cc(C)c([C@H](Cl)c2ccc(Cl)cc2I)c(C)c1Br 2365593776 WFGYWWWUOHLLFD-MRXNPFEDSA-N 484.002 6.961 50 10 JKGE COc1cc([C@H](Br)c2ccc(OC)c(Cl)c2Br)sc1Cl 2365839616 BYMRJPIGDIRYLV-SNVBAGLBSA-N 461.002 6.319 50 10 JKGE C[C@@H]1CCC[C@]12[C@H](Br)C[C@H]2OCc1c(Br)cccc1Br 2366183931 BVQWRBWPOYALMR-HMTTWLPMSA-N 467.039 6.070 50 10 JKGE FC(F)(F)CC1CCC([C@H](Br)c2cc(Br)sc2Br)CC1 2381922801 FDJDHPGFVDTLOE-AYVLWNQUSA-N 499.028 7.468 50 10 JKGE CCOc1ccc(NC(=O)/C(C#N)=C/c2cn(CCOc3cc(C)ccc3C)c3ccccc23)cc1 781535 PEORZSLOXMJJMI-PTGBLXJZSA-N 479.580 6.282 50 10 JKGE O=C(NC1CCCC1)[C@H](c1ccc(Cl)cc1)N(Cc1ccc(Cl)cc1)C(=O)CCl 3039451 IQJRXIUCGOOBRY-NRFANRHFSA-N 453.797 5.361 50 10 JKGE C=CCn1c(C)cc(C(=O)/C(C#N)=C/c2ccc(Sc3ccc(C)cc3)c([N+](=O)[O-])c2)c1C 13523489 CNRBBQFYHKVAIY-KGENOOAVSA-N 457.555 6.449 50 10 JKGE CCCSc1ccc(-c2nn(-c3ccccc3)cc2/C=C(/C#N)S(=O)(=O)c2ccc(C)cc2)cc1 35445894 OEOXBFFNHCATTP-IMRQLAEWSA-N 499.661 6.688 50 10 JKGE CC1=C(C#N)C(=O)N(Cc2ccc(C)cc2)C(=O)/C1=C/c1ccc(-c2ccc(Br)cc2)o1 38608411 YEXCAIXHRLZGCW-LPYMAVHISA-N 487.353 5.810 50 10 JKGE CCCOc1ccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)COc4ccc(C(C)C)cc4)ccc32)cc1 38650712 XBWDCVWEAPMYHJ-LJAQVGFWSA-N 498.579 5.801 50 10 JKGE Cc1ccc(OCC(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@H]3c2ccc(Cl)c(Cl)c2)cc1 38655730 UMASRQBGKWSRKI-DEOSSOPVSA-N 481.335 5.504 50 10 JKGE Cc1cc(C)cc(Oc2nc3c(C)cccn3c(=O)c2/C=C(/C#N)C(=O)Nc2cc(C)ccc2C)c1 39858782 FGGISHJBGXOPSH-JCMHNJIXSA-N 478.552 5.575 50 10 JKGE N#C/C(=C\c1ccc(-c2ccccc2F)o1)C(=O)Nc1cc(C(F)(F)F)cc(C(F)(F)F)c1 39884887 GQEIVUPTQNBEKI-KPKJPENVSA-N 468.328 6.669 50 10 JKGE CCCCCCOc1ccc(/C=C(\C#N)C(=O)Nc2ccc(Br)cc2)cc1OC 40853182 FATSIIFYYGDYLC-NBVRZTHBSA-N 457.368 5.962 50 10 JKGE COc1cc(/C=N/NC(=O)COc2ccccc2)ccc1OCc1c(Cl)cccc1Cl 40911581 NGWMJNCFEQCNGR-LGJNPRDNSA-N 459.329 5.110 50 10 JKGE COc1cc(/C=N/NC(=O)CSCc2ccc(Cl)cc2)ccc1OCc1ccc(C(=O)O)cc1 59167453 DMDHPNFYVAYUCZ-UVHMKAGCSA-N 498.988 5.009 50 10 JKGE O=C(N/N=C(/CSc1nc2ccccc2[nH]1)c1ccc2ccccc2c1)c1cccc(Cl)c1 59460686 DKUPORWOLCFNNB-KRUMMXJUSA-N 470.985 6.296 50 10 JKGE CCCCOc1ccc([C@H](C(=O)NC2CCCCC2)N(Cc2ccco2)C(=O)CCl)cc1 97915124 GGVGUTSZVNTCIO-XMMPIXPASA-N 461.002 5.216 50 10 JKGE N#C/C(=C(/O)c1ccc(-c2ccccc2Cl)o1)c1nc(-c2ccc(Br)cc2)cs1 100989819 LXYQNWPCBJMOQU-PGMHBOJBSA-N 483.774 7.436 50 10 JKGE CCOC(=O)c1sc(N/C=C(\C#N)c2nc(-c3ccc(OC)cc3)cs2)c(C(=O)OCC)c1C 101361626 VJHRURFBNPRWSF-FOWTUZBSSA-N 497.598 5.519 50 10 JKGE N#C/C(=C/c1c(Oc2ccc(Cl)cc2Cl)nc2ccccn2c1=O)S(=O)(=O)c1ccccc1 102685431 WTRIQTAEJNKKMD-LGMDPLHJSA-N 498.347 5.132 50 10 JKGE COc1ccc(OC)c([C@@H](Br)c2cc(Br)ccc2Br)c1 109844305 BADDIRSAUYTCKI-HNNXBMFYSA-N 464.979 5.713 50 10 JKGE CCOc1c(Br)cc(/C=C(/CBr)C2CCCCC2)cc1Br 127525187 YSWZYCNPJPHVNJ-ZSOIEALJSA-N 481.066 6.969 50 10 JKGE Cl[C@@H](c1ccc(I)cc1)c1ccc(Br)c2ccccc12 127531076 BXNWJSBDUPMSCF-KRWDZBQOSA-N 457.536 6.535 50 10 JKGE CCCCCOc1ccccc1[C@@H]1C(C#N)=C(N)Oc2cc(OC(=O)/C=C\c3ccccc3)ccc21 205661653 DEZOMODZBACHCB-IKSOGEIQSA-N 480.564 6.093 50 10 JKGE N#C/C(=C/c1ccc(OC(=O)/C=C/c2ccco2)cc1)c1nc(-c2ccc3ccccc3c2)cs1 210601732 CMETZRLOQNGOOP-QVFSEOJVSA-N 474.541 7.239 50 10 JKGE Cl[C@H](c1cc(Br)c(Br)s1)c1cc(Br)cc2c1OCC2 228438288 KWIMCVLIPUIIKJ-NSHDSACASA-N 487.438 6.299 50 10 JKGE Cc1cccc([C@H](Cl)c2cc(Br)c(Br)s2)c1Br 235903936 GEUIBEFEPMAACO-NSHDSACASA-N 459.428 6.672 50 10 JKGE Clc1ccc(Br)c([C@@H](Cl)c2cc(Br)c(Br)s2)c1 236029913 HILJVZOKARWITI-SNVBAGLBSA-N 479.846 7.017 50 10 JKGE Fc1cccc(F)c1COc1c(Br)cc(CBr)cc1Br 236179574 QAYQNEKJYLRVJZ-UHFFFAOYSA-N 470.933 5.964 50 10 JKGE Cc1cc(C)c(OCC(=O)NN=Cc2ccc(-c3ccccc3Cl)o2)c(Br)c1 252639571 YMDMTWABINSMSY-UHFFFAOYSA-N 461.743 5.508 50 10 JKGE Cc1cccc(-c2nn(-c3ccccc3)cc2C=NNC(=O)COc2cccc3ccccc23)c1 254506981 PTMVGQNTUNURJC-UHFFFAOYSA-N 460.537 5.530 50 10 JKGE O=C(CSc1nc2ccccc2n1Cc1ccccc1)NN=C/C(Cl)=C\c1ccccc1 254606608 MZFNCUILFPQNBD-MFNUKGMISA-N 460.990 5.559 50 10 JKGE Cc1ccccc1-n1c(SCC(=O)NN=C/C(Cl)=C\c2ccccc2)nc2ccccc2c1=O 254617389 PHVGHJKAWDSJGN-JNPMRXGKSA-N 489.000 5.168 50 10 JKGE O=C(COc1cc(F)ccc1[N+](=O)[O-])N(N=Cc1ccccc1)c1cccc(C(F)(F)F)c1 254791759 UQRVTCLFFGEKGY-UHFFFAOYSA-N 461.371 5.199 50 10 JKGE C[C@H](Cl)c1nc2cc(Br)c(F)cc2n1CC[C@@H](C)N(C)Cc1ccccc1 379600982 ATFWNGZAEGJTLW-CABCVRRESA-N 452.799 6.148 50 10 JKGE BrCC(CBr)(CCC1CCCCC1)c1ccccc1Br 383517891 HCGLSDMPRYJXPS-UHFFFAOYSA-N 467.083 6.837 50 10 JKGE Fc1ccc([C@H](Br)c2cc(Cl)cc(Br)c2)c(F)c1Br 691635084 LPODTGMYADMLJR-LLVKDONJSA-N 475.352 6.628 50 10 JKGE Cc1cc(F)c([C@@H](Br)c2scc(Br)c2Br)cc1F 705424148 GRSIVQFHDMRUBU-SNVBAGLBSA-N 460.963 6.344 50 10 JKGE Cc1sc([C@@H](Cl)c2scc(Br)c2Br)cc1Br 707816928 OUOGDSVDTMEDJT-SECBINFHSA-N 465.457 6.734 50 10 JKGE CCOc1cc(/C=C(/C#N)C(=O)Nc2cccc(Cl)c2Cl)ccc1OCc1ccccc1 1084090461 HASQEUWKAKSSLK-UYRXBGFRSA-N 467.352 6.517 50 10 JKGE N#C/C(=C/c1cn(Cc2ccc(Cl)cc2)c2ccc(Br)cc12)C(=O)NC1CC1 1084398065 LTOBEMAZCVJGMI-DHDCSXOGSA-N 454.755 5.291 50 10 JKGE O=C(NN=Cc1ccc(OCc2ccc(F)cc2)o1)c1ccc(NC(=O)c2ccccc2)cc1 1084537483 NDQBEOUXJWXYGE-UHFFFAOYSA-N 457.461 5.014 50 10 JKGE O=C(CSc1cccc2ccccc12)NN=Cc1ccccc1OCc1ccc(Cl)cc1Cl 1565518899 OIHCOMJPGWJXAX-UHFFFAOYSA-N 495.431 6.968 50 10 JKGE O=C(CSc1nc2ccccc2s1)NN=Cc1ccc(-c2cccc(C(F)(F)F)c2)o1 1772724458 VPMJUSPKCUJLCZ-UHFFFAOYSA-N 461.490 5.818 50 10 JKGE Cc1c(C(=O)Nc2cccc3ccccc23)oc2c1C(=NNC(=O)c1ccc(O)cc1)CCC2 1772744850 LJZUUMKQZYTLTN-UHFFFAOYSA-N 453.498 5.170 50 10 JKGE Cc1c(C(=O)Nc2cc(Cl)ccc2Cl)oc2c1C(=NNC(=O)Cc1ccccc1)CCC2 1772747470 CCIVHRJRZOZUIJ-UHFFFAOYSA-N 470.356 5.546 50 10 JKGE N#CC1=C(N)Oc2c(c(-c3ccccc3)nn2Cc2ccccc2)[C@H]1c1ccc(Cl)cc1Cl 1865686409 VMJDEQSOZXXEAR-QFIPXVFZSA-N 473.363 6.123 50 10 JKGE CCCCOc1ccc([C@@H]2C(C#N)=C(N)Oc3c2c(CCC)nn3Cc2ccc(F)cc2)cc1OC 1865696786 KKRCAOSPYGVYBX-RUZDIDTESA-N 490.579 5.429 50 10 JKGE COc1ccc([C@@H]2C(C#N)=C(N)Oc3c2c(-c2ccccc2)nn3-c2ccccc2Cl)c(OC)c1 1865707964 KMZCZSXMNYMVJQ-HSZRJFAPSA-N 484.943 5.428 50 10 JKGE CCc1ccc([C@H]2C(C#N)=C(N)Oc3c2c(-c2ccccc2)nn3-c2ccc(Br)cc2)cc1 1865708835 HBQQFBGYMITWSF-QHCPKHFHSA-N 497.396 6.082 50 10 JKGE COC(=O)c1ccc2c(O)nc(/C(C#N)=C/c3ccccc3OCc3ccccc3C)nc2c1 1872727430 AQJSISWICBQRMH-FYJGNVAPSA-N 451.482 5.074 50 10 JKGE CC(C)c1ccc(-c2csc(/C(C#N)=C(\O)c3ccc(N4C(=O)c5ccccc5C4=O)cc3)n2)cc1 1872752100 NOGXWCUGIWENRE-LCUIJRPUSA-N 491.572 6.684 50 10 JKGE CCOc1ccccc1OC/C(O)=C(\C#N)c1nc(-c2cc(Cl)cc(Cl)c2OC)cs1 1872754436 SLNQPFZPDHSZLX-SDXDJHTJSA-N 477.369 6.396 50 10 JKGE COc1c(Cl)cc(Cl)cc1-c1csc(/C(C#N)=C(\O)CCCOc2ccc(Cl)cc2)n1 1872754578 ZLJXEVLTHSAKLB-JZJYNLBNSA-N 495.815 7.431 50 10 JKGE CCOc1ccc(OCC)c(-c2csc(/C(C#N)=C(\O)Cc3ccc(OC)cc3OC)n2)c1 1872754658 CSWIYXSHGQZZDQ-XDOYNYLZSA-N 466.559 5.660 50 10 JKGE CCOc1ccc(OCC)c(-c2csc(/C(C#N)=C(O)/C=C/c3ccc([N+](=O)[O-])cc3)n2)c1 1872754687 DQYAYOVLTCIANR-PVTSUSJYSA-N 463.515 6.022 50 10 JKGE COc1cc(C)c(-c2csc(/C(C#N)=C(\O)CCCOc3cc(C)c(Cl)c(C)c3)n2)cc1C 1872758342 WAXVJHYLVXTGHS-LNVKXUELSA-N 483.033 7.358 50 10 JKGE N#C/C(=C\c1ccccc1OCc1ccc(Cl)cc1)c1nc(-c2ccc(Cl)c(Cl)c2)cs1 1872790545 PUSBDSKJEGZXAY-YBFXNURJSA-N 497.834 8.413 50 10 JKGE ClCC[C@@H](COCc1ccccc1)NCc1c(Br)cccc1Br 1902891360 JJIFSRJWEFLGJO-HNNXBMFYSA-N 461.625 5.516 50 10 JKGE CC1(C)C[C@@H](N(Cc2ccccc2)c2cccc(Br)c2CBr)CO1 1915492049 STZAJJLIEKBIAS-MRXNPFEDSA-N 453.218 5.918 50 10 JKGE O=C(c1cc(Cl)ccc1I)N(Cc1ccccc1)C1(CCl)CCC1 1915769091 YXJBXJIPMZOQLW-UHFFFAOYSA-N 474.169 5.749 50 10 JKGE Brc1sc(Br)c([C@H](Br)[C@@]23CCC[C@@H]2C3)c1Br 1924609059 RMBZITUYGDOMQY-ROXVQFJHSA-N 493.884 6.662 50 10 JKGE CC(C)([C@H](Cl)c1c(Br)sc(Br)c1Br)C(F)(F)F 1924609358 WKENIRJUZMSMIN-RXMQYKEDSA-N 479.381 6.904 50 10 JKGE Fc1ccc(C[C@@H](Br)c2c(Cl)sc(Br)c2Cl)cc1F 1925588768 HNVDEQQBQZTIHQ-ZCFIWIBFSA-N 450.957 6.774 50 10 JKGE Clc1ccc(I)c(CC[C@@H](Br)COCc2ccccc2)c1 1934526184 RVSGXOHSGWJFKP-OAHLLOKOSA-N 479.583 5.858 50 10 JKGE Clc1cc(Br)c([C@@H](Cl)c2cc(Br)ccc2Br)s1 1948824117 VBYVPCJPLSVNRH-JTQLQIEISA-N 479.846 7.017 50 10 JKGE Clc1sc(Br)c(Cl)c1[C@@H](Cl)c1cc(I)sn1 1983286652 SDFVHZYWWUVXOD-YFKPBYRVSA-N 489.412 6.207 50 10 JKGE O=C(c1cc(Br)cc(C(F)(F)F)c1)N(CCBr)Cc1ccccc1 2004812346 VVKVKQBTTFUEBZ-UHFFFAOYSA-N 465.107 5.505 50 10 JKGE Cn1nc([C@@H](Br)c2cc(Br)ccc2Br)c(Cl)c1Cl 2033316175 MMIHTLMNSOABFP-QMMMGPOBSA-N 477.809 5.736 50 10 JKGE COc1cc(C=C(C#N)c2nnc3n2CCCCC3)ccc1OCc1ccc(Cl)cc1Cl 2040447356 RUPBERYKADKXJF-UHFFFAOYSA-N 469.372 5.963 50 10 JKGE C[C@@H](NCCSSCCNC(=O)OC(C)(C)C)c1ccc(Br)cc1Cl 2061265011 WTBWWRYRCKFZCB-GFCCVEGCSA-N 469.898 5.659 50 10 JKGE Cc1nn(C)c(Br)c1[C@@H](Cl)c1sc(Br)c(C)c1Br 2065891212 WHCKOKGHITXVIG-MRVPVSSYSA-N 477.447 5.714 50 10 JKGE Cc1nn(C)c([C@H](Cl)c2ccc(Br)cc2Br)c1Br 2083330810 SOGDYHSUMZJXON-LLVKDONJSA-N 457.391 5.344 50 10 JKGE Cc1cc2nc([C@@H](C)Cl)n(CCCN(Cc3ccccc3)Cc3ccccc3)c2cc1Cl 2085626481 YRWTZBMUULTBBK-OAQYLSRUSA-N 466.456 7.390 50 10 JKGE Cc1ccc(C[C@@H](Br)c2ccc(Br)cc2I)nc1 2086150199 XUINTKWBBAPJSU-CYBMUJFWSA-N 480.969 5.436 50 10 JKGE Cc1cc(Br)c([C@@H](Br)[C@H]2CC[C@H]3C[C@H]2CO3)cc1Br 2089071335 TYJLZFDGQIBZBM-VEABSNGSSA-N 453.012 5.771 50 10 JKGE CCc1sc(Br)cc1[C@H](Br)Cc1ccc(Br)cc1F 2090687496 CHGZVPJBNVGRDI-LLVKDONJSA-N 471.027 6.653 50 10 JKGE Fc1cc(F)c([C@H](Br)c2c(Br)cccc2Br)c(F)c1 2094090159 DZOOYDIZSFEJCH-CYBMUJFWSA-N 458.897 6.113 50 10 JKGE BrCc1cc(Br)c(OC[C@@H]2CC23CCCC3)c(Br)c1 2109404595 VMTHEHZBKDIHGF-NSHDSACASA-N 453.012 6.066 50 10 JKGE Cn1ncc(Br)c1CC(CBr)(CBr)c1ccccc1Cl 2143635222 RRSMNOUCJLYIPI-UHFFFAOYSA-N 485.445 5.106 50 10 JKGE CCc1nn(C)c([C@H](Br)c2cc(C3CC3)c(Br)s2)c1Br 2192384998 NRLSFVVHZXYMCZ-GFCCVEGCSA-N 483.067 5.931 50 10 JKGE CCCCCc1ccc([C@@H](Br)Cc2ccccc2I)s1 2197254905 ABYMIIOHRQZDNL-HNNXBMFYSA-N 463.222 6.764 50 10 JKGE Cc1ccc(C)c(C[C@H](Br)c2ccc(Br)c(C)c2Br)c1 2203683654 FFBNTHIIYJNXLA-INIZCTEOSA-N 461.035 6.816 50 10 JKGE Cc1cc(Br)c([C@H](Br)c2sc(C)c(C)c2Br)s1 2215943846 JSNMEBURMCAWQK-JTQLQIEISA-N 459.066 6.744 50 10 JKGE COc1ccc(C(=O)N(Cc2ccccc2)[C@@H](C)CCBr)c(Br)c1 2217400349 ZTGMKPJSBOVSBP-AWEZNQCLSA-N 455.190 5.274 50 10 JKGE BrCCC[C@@H]1CCCN(Cc2c(Br)cccc2Br)C1 2225809131 VCXXNROYURGEMI-GFCCVEGCSA-N 454.044 5.599 50 10 JKGE Brc1c([C@@H](Br)c2ccc(OCc3ccccc3)cc2)ccc2c1CCO2 2229748074 VCKLQHMZXNLEBD-NRFANRHFSA-N 474.192 6.447 50 10 JKGE Cc1ccc([C@H](Cl)c2csc3c(Br)cccc23)cc1I 2232833485 NJDFEGWSPQDPOJ-HNNXBMFYSA-N 477.592 6.905 50 10 JKGE COc1c(Br)cc(C)cc1[C@H](Cl)c1ccc(C)c(I)c1 2232834604 LDXWWYIIKZDQQL-OAHLLOKOSA-N 465.556 6.007 50 10 JKGE ClCc1nc2cc(Br)c(Br)cc2n1Cc1cscc1Cl 2234057300 MAFOGXOWAPPJFQ-UHFFFAOYSA-N 455.002 6.063 50 10 JKGE Cc1ccc(Br)cc1[C@@H](Br)c1ccc2c(c1Br)CCO2 2238076277 JHBCUBAQTNOWGI-INIZCTEOSA-N 460.991 5.939 50 10 JKGE Clc1ccc(I)c(CN2[C@H](CBr)C[C@@H]3CCCC[C@H]32)c1 2240676085 WCEGNDZURGWSOC-HZUKXOBISA-N 468.604 5.473 50 10 JKGE Fc1cc(Br)c(F)c(Br)c1[C@H](Br)c1ccsc1Cl 2259995255 PRQMZXFPPVLGIF-MRVPVSSYSA-N 481.381 6.689 50 10 JKGE CS(=O)(=O)c1cscc1[C@@H](Br)c1cc(Br)c(Cl)s1 2260094163 HLXYFBOHIVFRTR-SECBINFHSA-N 450.626 5.113 50 10 JKGE CC(C)(C)OC(=O)N1CCC(CI)(OC[C@H]2CC(F)(F)C23CCC3)CC1 2266113712 RBDFRYURPYYUSG-CQSZACIVSA-N 485.353 5.033 50 10 JKGE Fc1cc(Cl)c([C@H](Cl)c2cc(Br)ccc2Br)cc1Br 2270454334 WPXZMFQKDIHIAV-CYBMUJFWSA-N 491.807 7.095 50 10 JKGE O=C1Cc2cc([C@@H](Br)c3scc(Br)c3Cl)c(Cl)cc2N1 2279284036 SWYXURQCTREQIT-LLVKDONJSA-N 455.986 5.796 50 10 JKGE COCCCCCCC(CBr)(CBr)c1cccc(Br)c1 2287541867 BUWRDTKKOQEVRY-UHFFFAOYSA-N 471.071 6.074 50 10 JKGE N#CC(=Cc1ccc(-c2cccc([N+](=O)[O-])c2)o1)C(=O)Nc1ncc(Cc2cccc(Cl)c2)s1 2293038665 RZQLYSLZVRDXBP-UHFFFAOYSA-N 490.928 6.101 50 10 JKGE Cc1ccc(NC(=O)C(C#N)=Cc2cn(Cc3cccc4ccccc34)c3ccccc23)c([N+](=O)[O-])c1 2293394501 MWBRUYIQRKMYOB-UHFFFAOYSA-N 486.531 6.605 50 10 JKGE COc1c(Br)cc([C@@H](Br)c2ccc(Br)s2)c(OC)c1C 2295425844 LLIZAFBJMNTAEZ-GFCCVEGCSA-N 485.035 6.083 50 10 JKGE COc1cc(OC)c([C@H](Br)c2cccc(Br)c2)cc1Br 2295437436 NEHYGKMLBTWJET-OAHLLOKOSA-N 464.979 5.713 50 10 JKGE COc1cc(C=C(C#N)C(=O)Nc2ccccc2C(F)(F)F)ccc1OCc1ccc(F)cc1 2295459702 OWVLZHVXKZSNAM-UHFFFAOYSA-N 470.422 5.978 50 10 JKGE CC(C)[C@H]1CCc2c(OCc3ccccc3)ccc(Br)c2[C@H](Br)C1 2299517638 MUVFNSKSKGWRGW-QFBILLFUSA-N 452.230 7.073 50 10 JKGE C[C@@H]1CCC[C@H]([C@H](Br)c2ccc(OCc3ccccc3)cc2Br)O1 2299534218 BCWYQJWJMJXBCN-JSNMRZPZSA-N 454.202 6.422 50 10 JKGE CC[C@](C)(C(F)F)[C@@H](Br)c1c(Br)sc(Br)c1Cl 2299838904 QGNNPNXTUSMUCK-WKEGUHRASA-N 475.418 7.044 50 10 JKGE CCCCN(CCBr)Cc1ccc(I)c(Br)c1 2306218714 DETVOZMSRNLUNU-UHFFFAOYSA-N 475.006 5.051 50 10 JKGE COc1cc(C=C(C#N)C(=O)Nc2ccccc2)cc(Br)c1OCc1ccc(C)cc1 2313518611 LKKJKYIZJHUCOC-UHFFFAOYSA-N 477.358 5.891 50 10 JKGE N#CC(=Cc1ccc(-c2ccc(Br)c(Cl)c2)o1)C(=O)Nc1cccc(Cl)c1Cl 2313570891 IPQNDJSHMAGNFL-UHFFFAOYSA-N 496.575 7.215 50 10 JKGE COc1cc(C=C(C#N)C(=O)Nc2sc3c(c2C#N)CCCC3)ccc1OCc1ccc(F)cc1 2313630349 HAQCAKFNLPTSNL-UHFFFAOYSA-N 487.556 5.771 50 10 JKGE Brc1cc(OCc2ccccc2)ccc1[C@H](Br)[C@@H]1CO[C@@H]2COC[C@H]21 2314497113 HSHFXRIKQAOIRI-CUDHKJQZSA-N 468.185 5.126 50 10 JKGE Fc1c(Br)cc(Cl)c([C@H](Br)CC2(F)CCC2)c1Br 2315444950 FMEVYVVMNWBHIV-SSDOTTSWSA-N 467.373 6.722 50 10 JKGE COC1([C@H](Br)c2c(Cl)cc(Br)c(F)c2Br)CCC1 2315447759 RRAVVHKUMMVEMS-LLVKDONJSA-N 465.382 6.009 50 10 JKGE Clc1cc(I)c([C@@H](Br)[C@@H]2C[C@H]3CCC[C@H]2CC3)s1 2316747587 RQACRTVERXMQFK-XHSYRHOGSA-N 459.618 6.659 50 10 JKGE Cn1nc(Br)c(Br)c1[C@H](Br)Cc1ccccc1Cl 2316833421 AMMYTQBKRHJDNU-MRVPVSSYSA-N 457.391 5.277 50 10 JKGE Clc1ccc([C@H](Cl)Cc2ccncc2Br)c(I)c1 2317745041 SNMVJNRGGRYJLZ-GFCCVEGCSA-N 456.936 5.625 50 10 JKGE N#CC(=CNc1ccc(I)cc1)C(=O)Nc1ccc(Cl)c(Cl)c1 2324269018 WEILDIBYOQJZLQ-UHFFFAOYSA-N 458.086 5.056 50 10 JKGE CC[C@@H](C)N1C(=O)c2ccc(C(O)=C(C#N)c3nc(-c4ccc(OC)c(OC)c4)cs3)cc2C1=O 2331242368 UHBKNRYHWCHFNN-CQSZACIVSA-N 489.553 5.172 50 10 JKGE COc1ccc(OC)c(-c2csc(C(C#N)=C(O)C(=Cc3ccccc3)c3ccccc3)n2)c1 2331325173 RTPZPZDKQHUTDH-UHFFFAOYSA-N 466.562 6.861 50 10 JKGE CC(C)c1ccc(-c2csc(C(C#N)=C(O)[C@@H]3CC(=O)N([C@@H](C)c4ccccc4)C3)n2)cc1 2331340822 STXQPLPMALNOBT-PGRDOPGGSA-N 457.599 6.336 50 10 JKGE COc1cc(-c2csc(C(C#N)=C(O)C(c3ccccc3)c3ccccc3)n2)c(OC)cc1Cl 2331377218 YNEXCYPXKSUCSX-UHFFFAOYSA-N 488.996 7.105 50 10 JKGE CCCOc1ccc(-c2csc(C(C#N)=Cc3cc(Cl)ccc3O)n2)cc1OCCC 2331437698 DJVXMOCPYZHXRU-UHFFFAOYSA-N 454.979 6.811 50 10 JKGE CCCOc1ccc(-c2csc(C(C#N)=Cc3ccccc3OCc3ccccc3Cl)n2)cc1 2331445295 FYVFSTMQSMZTEV-UHFFFAOYSA-N 487.024 7.895 50 10 JKGE COc1ccc(-c2csc(C(C#N)=Cc3ccc(OC(=O)c4ccccc4)c(OC)c3)n2)cc1F 2331455831 RKHIBSHAAMRWLJ-UHFFFAOYSA-N 486.524 6.250 50 10 JKGE Fc1c(Br)cc(Cl)c([C@H](Br)[C@]23C[C@H](CCO2)C3)c1Br 2337086201 IZEYUSAKBLYYEY-SQPCXJJOSA-N 477.393 6.009 50 10 JKGE CCCc1sc(Br)cc1[C@@H](Br)c1c(F)cccc1Br 2338024616 WMXKWWSQVMWIRN-CQSZACIVSA-N 471.027 6.849 50 10 JKGE Cc1cc(Br)c(F)c(Br)c1[C@H](Br)C[C@@H](C)C(C)(C)C 2339646507 ROIZYPRAILUCMR-NXEZZACHSA-N 459.035 7.167 50 10 JKGE COCC1(C[C@@H](Br)c2c(C)cc(Br)c(F)c2Br)CC1 2339678573 HXHUEOIGQQTBNE-SNVBAGLBSA-N 458.991 5.912 50 10 JKGE Cc1cc(Br)c(F)c(Br)c1[C@H](Br)[C@@H]1[C@@H]2CCOC[C@H]21 2339682124 OWZUTCTULKALSY-VNOQCFOKSA-N 456.975 5.378 50 10 JKGE Fc1cc([C@@H](Cl)c2ccc(Cl)cc2I)c(F)cc1Br 2340062645 BRKPZPRQRJCRCG-ZDUSSCGKSA-N 477.901 6.314 50 10 JKGE ClCCC[C@@H]1CCCN(Cc2ccc(I)c(Br)c2)C1 2349826594 GBOKBFWPIHTFPY-GFCCVEGCSA-N 456.593 5.285 50 10 JKGE FCCOc1ccccc1[C@@H](Br)c1cc(Br)ccc1OCc1ccccc1 2361197669 JRAWQJYZSYKYSB-JOCHJYFZSA-N 494.198 6.861 50 10 JKGE Cc1ccccc1[C@@H](CBr)OCc1cc(Br)cc(Br)c1 2362240402 PDXZLLQJJPVRSU-MRXNPFEDSA-N 463.007 6.173 50 10 JKGE Cc1nc(Br)c([C@H](Br)c2c(Br)cc(F)c(Cl)c2F)n1C 2362440253 BBRWETLNNIUKPB-MRVPVSSYSA-N 493.371 5.669 50 10 JKGE Cc1cc(Br)c(F)c(Br)c1[C@H](Br)C[C@H](C)CC(C)(C)C 2365181002 UPHVQGDFHZIJLP-GXSJLCMTSA-N 473.062 7.558 50 10 JKGE CCC[C@@H](C(C)C)[C@@H](Br)c1c(C)cc(Br)c(OC)c1Br 2365192678 WXALRQZTZKHAMF-SMDDNHRTSA-N 471.071 7.037 50 10 JKGE CCOc1ccc([C@H](Br)c2ccc(Br)cc2Br)c(F)c1 2367459140 LOJBXVGBMLTGAK-OAHLLOKOSA-N 466.970 6.234 50 10 JKGE Cc1cc(C(=O)O)ccc1-c1ccc(/C=N/NC(=O)c2cc3cc(Br)ccc3o2)o1 9324507 TUDCLACHNGBLFQ-BHGWPJFGSA-N 467.275 5.226 50 10 JKGE CCOC(=O)c1c(-c2ccc([N+](=O)[O-])cc2)csc1NC(=O)/C(C#N)=C\c1ccc(Cl)cc1 33378569 CISAYMMCPKFWJL-WJDWOHSUSA-N 481.917 5.699 50 10 JKGE COc1ccc(/C=N/NC(=O)[C@H]2C[C@H]2c2ccc(C(C)(C)C)cc2)cc1CSCc1ccco1 33959868 BTWZRGKWCWWHCQ-UKYJPTDUSA-N 476.642 6.273 50 10 JKGE COc1ccc(-c2nn(-c3ccccc3)cc2/C=C2/C(=O)N(CC(C)C)C(=O)C(C#N)=C2C)c(C)c1 38605557 CXUMLTOUVXZWDZ-AFUMVMLFSA-N 480.568 5.105 50 10 JKGE C[C@H](Oc1ccccc1F)C(=O)Oc1ccc2c(c1)OC(N)=C(C#N)[C@H]2c1ccc(Cl)c(Cl)c1 38655905 DOULGPJZEZZIFY-NPMABZOXSA-N 499.325 5.724 50 10 JKGE CCCOc1ccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4ccccc4)ccc32)cc1OCC 38683740 HHXPDVIFZQXWAF-AREMUKBSSA-N 470.525 5.311 50 10 JKGE Cc1ccc(COc2ccc([C@@H]3C(C#N)=C(N)Oc4cc(OC(=O)c5ccccc5)ccc43)cc2)cc1 38686236 RTYISDAUBXAJBU-LJAQVGFWSA-N 488.543 6.011 50 10 JKGE CCOC(=O)/C(C#N)=C/c1cccc(OC(=O)/C=C/c2ccc(OCCC(C)C)c(OC)c2)c1 40944699 WJNGCQGQFXQRJY-YYLVAKQMSA-N 463.530 5.209 50 10 JKGE CCCOc1c(Br)cc(/C=C(/C#N)C(=O)Nc2ccc(Cl)c(Cl)c2)cc1OC 59117527 VYJSLHJIGMQFJY-QPEQYQDCSA-N 484.177 6.099 50 10 JKGE C=CCOc1ccc(-n2c(C)cc(/C=N/NC(=O)c3cc4cc(Br)ccc4o3)c2C)cc1 59305094 UNKWHKNXEQHQMF-JFLMPSFJSA-N 492.373 5.932 50 10 JKGE Fc1ccc(C[C@H](CBr)Cc2ccc(Br)cc2)c(Br)c1 97183130 VSPJVWKSIABZCE-GFCCVEGCSA-N 464.998 6.147 50 10 JKGE N#C/C(=C(/O)c1ccc(-c2ccc([N+](=O)[O-])cc2)o1)c1nc(-c2ccc3ccccc3c2)cs1 100989524 SVOVTZYOQAFFBD-DAFNUICNSA-N 465.490 7.081 50 10 JKGE CCn1nc(C)c(Br)c1CC(CBr)(CBr)C1CCCC1 160150336 QFEQFOAETKQTNJ-UHFFFAOYSA-N 471.075 5.483 50 10 JKGE Clc1cc2c(cc1[C@H](Br)c1cc(Br)ccc1Br)OCCO2 161090919 YQSZLTLPWZZPPX-OAHLLOKOSA-N 497.408 6.121 50 10 JKGE COc1cc(C)c([C@@H](Br)c2cc(Br)ccc2Br)cc1OC 161095523 WGTMSCBNGCDYQX-MRXNPFEDSA-N 479.006 6.022 50 10 JKGE Fc1cc([C@@H](Br)c2cc(Br)c(Br)s2)c(F)cc1Cl 167732846 NIJBYLFWACEGOT-SNVBAGLBSA-N 481.381 6.689 50 10 JKGE CCCCOc1ccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)/C=C\c4ccccc4)ccc32)cc1OC 205650319 PRAJLHROTUMBNG-VDFQKTSZSA-N 496.563 5.711 50 10 JKGE CCCCNC(=O)/C(C#N)=C\c1ccc(OC(=O)COc2ccccc2-c2ccccc2)cc1 207147919 WGVGQUOXXASMMP-NKFKGCMQSA-N 454.526 5.161 50 10 JKGE N#C/C(=C/N1CCN(C(c2ccccc2)c2ccccc2)CC1)C(=O)Nc1ccccc1C(F)(F)F 217051450 QPHBTSCDMQWNSU-ATJXCDBQSA-N 490.529 5.459 50 10 JKGE C[C@H]1CC[C@H](CC(CBr)(CBr)c2ccc(Br)cc2)O1 232063445 OYFHHGYKTLBYHG-SMDDNHRTSA-N 455.028 5.434 50 10 JKGE COc1ccc([C@@H](Br)c2cc(Cl)sc2Cl)c(OC)c1Br 234974844 FXFBZEFGIWWETR-SNVBAGLBSA-N 461.002 6.319 50 10 JKGE CCOc1ccc(-c2cc(C(=O)NN=Cc3c(O)ccc4ccccc34)c3ccccc3n2)cc1 252614598 JKOFPUPIPLUPKI-UHFFFAOYSA-N 461.521 5.923 50 10 JKGE C[C@@H]1C[C@@H](O[C@H](CI)c2ccc(Br)cc2)CC(C)(C)C1 253111355 DHPJIRPIRAXZMB-DAXOMENPSA-N 451.186 6.157 50 10 JKGE CC(=O)O[C@H]1CC[C@]2(C)[C@@H]3CC[C@]4(C)[C@H]([C@H](C)CC[C@H](C)C(C)C)CC[C@@H]4[C@@]34CC[C@@]2(C1)OO4 254295376 NQOHVZFOGSDCDQ-LELWMDILSA-N 474.726 7.492 50 10 JKGE COc1ccc(C(=O)Oc2ccc(C=NNC(=O)COc3ccc(-c4ccccc4)cc3)cc2)cc1 254309455 NEXYQVKVYBLYSR-UHFFFAOYSA-N 480.520 5.111 50 10 JKGE Cc1cccc(Br)c1[C@H](Br)c1cc(Cl)c(Cl)c(Cl)c1Cl 404659240 POIPDDABWCZFJJ-LLVKDONJSA-N 477.838 7.855 50 10 JKGE CC(C)(C)[Si](C)(C)OCc1cccc([C@H]2c3ccccc3CCN2S(=O)(=O)c2ccccc2)c1 616680208 JYKYETOTWDBIFK-MHZLTWQESA-N 493.745 6.545 50 10 JKGE Cc1ccc(COc2c(F)cc(Br)cc2CBr)cc1Br 715720536 IERRLGLLKPHVDR-UHFFFAOYSA-N 466.970 6.133 50 10 JKGE C[C@H]1Cc2cc(Br)cc([C@H](Cl)c3csc(I)c3)c2O1 720131910 KKWSOHQRPZLNIM-WPPNPWJKSA-N 469.569 5.767 50 10 JKGE Fc1ccc(C[C@@H](Cl)c2ccc(I)c(Br)c2)c(F)c1 721574463 YFFJATUYLBADLU-GFCCVEGCSA-N 457.483 5.855 50 10 JKGE C=CCc1cc(C=NNC(=O)CC[C@@H](O)c2ccccc2)cc(OC)c1OCc1cccc(F)c1 1084016770 BXJBZULCENAYCU-RUZDIDTESA-N 476.548 5.106 50 10 JKGE O=C(NN=C1C(=O)N(C(c2ccccc2)c2ccccc2)c2ccccc21)c1ccc(Cl)cc1 1084447900 WJLOZLMDJYZMCS-UHFFFAOYSA-N 465.940 5.610 50 10 JKGE N#C/C(=C\c1ccccc1OCc1ccc([N+](=O)[O-])cc1)C(=O)Nc1cccc(Cl)c1Cl 1084470125 XFRLGDMAZBZIBM-SFQUDFHCSA-N 468.296 6.026 50 10 JKGE N#C/C(=C/c1ccc(-c2ccc(C34CC5CC(CC(C5)C3)C4)cc2[N+](=O)[O-])o1)c1ccccc1 1084608506 UUZAOAQECMZNHR-QRVIBDJDSA-N 450.538 7.387 50 10 JKGE Cc1c(C(=O)Nc2nccs2)oc2c1C(=NNC(=O)c1ccc(-c3ccccc3)cc1)CCC2 1772747782 QWAOXXUNWHXBRW-UHFFFAOYSA-N 470.554 5.434 50 10 JKGE CC(C)(C)c1ccc(OCCCC(=O)NN=Cc2ccc(Cl)cc2Cl)c(Br)c1 1772755784 SCURCOBGTNWCIZ-UHFFFAOYSA-N 486.237 6.363 50 10 JKGE CC(C)(C)c1ccc([C@@H]2C(C#N)=C(N)Oc3c2c(-c2ccccc2)nn3Cc2ccccc2F)cc1 1865682386 NLJCOUPQMJUKEF-RUZDIDTESA-N 478.571 6.253 50 10 JKGE CCCOc1ccc([C@H]2C(C#N)=C(N)Oc3c2c(CCC)nn3Cc2ccccc2)cc1OCC 1865687907 CWUPOBIOTKZXFU-VWLOTQADSA-N 472.589 5.290 50 10 JKGE CCCOc1ccc([C@H]2C(C#N)=C(N)Oc3c2c(C)nn3-c2cccc(Cl)c2)cc1OCC 1865688001 GGPNTJNTUWWZMB-QHCPKHFHSA-N 464.953 5.240 50 10 JKGE COc1cc([C@H]2C(C#N)=C(N)Oc3c2c(C)nn3-c2ccccc2)ccc1OCCc1ccccc1 1865688681 YFIRLOWATDQSBJ-MHZLTWQESA-N 478.552 5.029 50 10 JKGE CCOc1cccc([C@H]2C(C#N)=C(N)Oc3c2c(-c2ccc(OC)cc2)nn3Cc2ccc(F)cc2)c1 1865690213 LNHHDDXQKQMIOK-VWLOTQADSA-N 496.542 5.363 50 10 JKGE CCOc1c(OC)cccc1[C@@H]1C(C#N)=C(N)Oc2c1c(-c1ccccc1)nn2-c1cccc(Cl)c1 1865694292 WKBZUICSXRQAHM-HSZRJFAPSA-N 498.970 5.818 50 10 JKGE CCCOc1ccccc1[C@@H]1C(C#N)=C(N)Oc2c1c(C(F)(F)F)nn2Cc1cccc(F)c1 1865702923 IGZUFFWYTXJAOE-LJQANCHMSA-N 472.442 5.096 50 10 JKGE CCc1nn(-c2ccccc2)c2c1[C@@H](c1ccc(OCc3ccccc3Cl)cc1)C(C#N)=C(N)O2 1865704189 PRJHSZUJTHDVLA-VWLOTQADSA-N 482.971 5.885 50 10 JKGE COC(=O)c1ccc([C@@H]2C(C#N)=C(N)Oc3c2c(-c2ccccc2)nn3-c2ccc(Cl)cc2)cc1 1865709667 ZJJKCGGYZYFFMG-JOCHJYFZSA-N 482.927 5.197 50 10 JKGE Cc1ccc([C@H](C(=O)N[C@@H](Cc2ccccc2)C(=O)Nc2ccc(SC#N)cc2)C(C)C)cc1 1866955768 JAZJLYKHFGVNNA-IZZNHLLZSA-N 471.626 5.674 50 10 JKGE Cc1ccc([C@@H](C(=O)N[C@H](C(=O)Nc2ccc(SC#N)cc2)c2ccccc2)C(C)C)cc1 1866961373 VAUSDASLQLLCAQ-DQEYMECFSA-N 457.599 5.804 50 10 JKGE COc1ccc(/C=C(\C#N)c2nc(O)c3ccccc3n2)cc1OCc1ccc(Cl)c(Cl)c1 1872727031 ZURLVIZLOWKYFD-LICLKQGHSA-N 478.335 6.294 50 10 JKGE C[C@@H](Oc1ccc(Cl)cc1Br)/C(O)=C(\C#N)c1nc(-c2ccccc2Cl)cs1 1872746430 HODVRPNYVGKTIC-PFMFLNCGSA-N 496.213 7.140 50 10 JKGE CC(C)C[C@H](/C(O)=C(\C#N)c1nc(-c2ccc3c(c2)OCO3)cs1)N1C(=O)c2ccccc2C1=O 1872752387 AAEAXBKTAZGBIH-SEDGDDRASA-N 487.537 5.042 50 10 JKGE COc1ccccc1-c1csc(/C(C#N)=C/c2c(OCc3ccccc3)ccc3ccccc23)n1 1872784279 IDSGZVOVTFURAT-HAVVHWLPSA-N 474.585 7.615 50 10 JKGE COc1ccc(-c2csc(/C(C#N)=C/c3ccc(OCc4ccc(Cl)cc4)cc3)n2)cc1F 1872792183 JWJKTEHQJCASEI-UDWIEESQSA-N 476.960 7.254 50 10 JKGE COc1cc(/C=C(\C#N)c2nc(-c3cccc4ccccc34)cs2)ccc1OCCN1CCOCC1 1872792246 MZVJDQHIAWHYOT-HAVVHWLPSA-N 497.620 5.747 50 10 JKGE CCCCCCOc1ccc(/C=C(\C#N)c2nc(-c3cc(C)cc(C)c3OC)cs2)cc1OC 1872792833 SYUOBQVKEYYWOC-PXLXIMEGSA-N 476.642 7.467 50 10 JKGE CC(C)(C)OC(=O)N[C@@H](CBr)Cc1c(Br)cccc1Br 1882084879 PBBJTKMPKNZABE-SECBINFHSA-N 472.015 5.042 50 10 JKGE CCOc1cc(Br)c([C@H](Br)[C@H]2C[C@@H]2Br)cc1OCC 1887725640 SYSITFXDWXJCER-QEVYDEPDSA-N 457.000 5.466 50 10 JKGE C[C@@]12CC[C@@](CBr)(C1)N(C(=O)c1scc(Br)c1Br)C2 1911484081 CRLQOERMWIHUSB-OLZOCXBDSA-N 472.040 5.053 50 10 JKGE Fc1ccc([C@H](Br)c2cscc2OCc2ccccc2)cc1Br 1939523798 JVOJZFOINMDNHC-SFHVURJKSA-N 456.174 6.713 50 10 JKGE Cc1c(Cl)cc(C(=O)N(Cc2ccccc2)[C@H](C)CCBr)cc1Br 2002241686 FUEIDOBWJPIWQX-CYBMUJFWSA-N 473.636 6.227 50 10 JKGE C[C@H]1OC2([C@@H](Cl)c3c(Br)sc(Br)c3Br)CC1C2 2017754098 BSJDQFXRUBLJKX-WNZHACADSA-N 465.432 5.883 50 10 JKGE C[C@@H]1[C@@H](O[C@@]2(CI)CCCN(C(=O)OC(C)(C)C)C2)CCC[C@H]1C 2022946858 DOTHOVMYXNFUMV-PASDCYSWSA-N 451.389 5.032 50 10 JKGE CCc1sc(Br)cc1[C@H](Br)c1c(F)cccc1Br 2030223566 UUXLOTAGQXMBSI-ZDUSSCGKSA-N 457.000 6.459 50 10 JKGE COc1sc([C@H](Br)c2cc(Br)ccc2Cl)cc1Br 2034628101 BRRXOTHOWSABEJ-LLVKDONJSA-N 475.427 6.419 50 10 JKGE COc1sc([C@@H](Br)c2cc(Cl)cc(Br)c2)cc1Br 2034630656 XVGBKGQXIJOCFB-NSHDSACASA-N 475.427 6.419 50 10 JKGE N#CC(=C(Cl)c1ccc(I)c(Br)c1)c1ccsc1 2035095328 HVWGBUCSBURPFL-UHFFFAOYSA-N 450.526 5.746 50 10 JKGE CN(c1ccc(CBr)c(Br)c1)[C@@H]1CC(C)(C)[C@H]1OCc1ccccc1 2038795700 WPWLTIFPZHPTPU-UXHICEINSA-N 467.245 6.164 50 10 JKGE Brc1cc([C@@H](Br)[C@H]2CC3(CCCC3)CO2)sc1Br 2047505636 IGLULDXWFYJYBW-KOLCDFICSA-N 459.041 6.058 50 10 JKGE C[C@H]1CN(Cc2ccccc2)[C@H](C)CN1c1cc(Br)cc(F)c1CBr 2051130881 BFCNBOWCQOHVRX-CABCVRRESA-N 470.224 5.582 50 10 JKGE Cc1cc(Br)c(CBr)c(N2CC[C@H](C)N(Cc3ccccc3)CC2)c1 2053201865 FHVPAFSUDSGASQ-KRWDZBQOSA-N 466.261 5.753 50 10 JKGE Cc1cc(Br)c([C@H](Br)[C@H](CC(C)C)C(C)C)cc1Br 2088586253 AMUQSAQUJAYTBU-MLGOLLRUSA-N 455.072 7.274 50 10 JKGE Cc1cc(Br)c([C@@H](Br)C(C)(C)[C@@H]2CCCO2)cc1Br 2093191858 BSCZKDDVIWKKIX-UONOGXRCSA-N 455.028 6.161 50 10 JKGE Clc1ccc(COc2c(Br)cccc2CBr)cc1Br 2110520727 YFKRYHFIWPDGPX-UHFFFAOYSA-N 469.398 6.339 50 10 JKGE Cc1cc([C@H](Br)c2cc(I)ccc2F)c(Cl)cc1F 2113357207 CRCHTJJUMUYUMX-AWEZNQCLSA-N 457.483 6.016 50 10 JKGE C[C@@H](c1cscc1Br)N(C)c1ccc(CBr)c(Br)c1 2130027477 WCTIZPWCPZMLAH-VIFPVBQESA-N 468.052 6.365 50 10 JKGE CN(c1ccc(CBr)c(Br)c1)[C@@H]1C[C@@H]2C[C@@H](OCc3ccccc3)C[C@H]21 2134021087 ZNFQKZNTLNHZAF-RJJVWVDVSA-N 479.256 6.164 50 10 JKGE Cc1cc(Br)c(C)c([C@H](Br)[C@]2(C)COCCO2)c1Br 2136382096 OILVFYBPHAKXTK-KBPBESRZSA-N 457.000 5.070 50 10 JKGE Cl[C@@H](Cc1ccccc1I)c1cc(Br)c2c(c1)CCO2 2146627777 LITOPEXNGHNYMB-AWEZNQCLSA-N 463.540 5.511 50 10 JKGE Cc1cc(Br)c([C@H](Br)[C@@]23CCCC[C@H]2CCC3)cc1Br 2149050060 CMQFFBRKZZLPEF-AFAVFJNCSA-N 465.067 7.317 50 10 JKGE Oc1nc2cc([C@H](Br)c3cc(Cl)c(Cl)s3)c(Br)cc2[nH]1 2156052515 VXMFKVHZZXPXJW-JTQLQIEISA-N 456.974 5.884 50 10 JKGE O=C(NC1(CBr)CC2(CCC2)C1)c1ccc(Br)cc1Br 2163542651 SDZAJBVVEYIKSF-UHFFFAOYSA-N 466.011 5.039 50 10 JKGE Cc1ccc(Br)c(COc2c(Br)cc(CCl)cc2Br)n1 2169025846 JYTKIMCJDXDYLI-UHFFFAOYSA-N 484.413 5.995 50 10 JKGE CC(C)n1cc(S(=O)(=O)N(CCC(F)(F)F)Cc2ccccc2)cc1CBr 2179858678 RSNLPAALZUTKLB-UHFFFAOYSA-N 467.351 5.107 50 10 JKGE COc1cc(Br)c([C@H](Br)C2(Br)CCC2)c(OC)c1OC 2181951556 PNFXOTNEMTXIAQ-ZDUSSCGKSA-N 472.999 5.229 50 10 JKGE CC1(C)CCC[C@@H](CO[C@@H](CI)c2ccc(Br)cc2)O1 2185551256 NMERPTZPOBWBAR-GJZGRUSLSA-N 453.158 5.290 50 10 JKGE Fc1cc(Br)c([C@H](Cl)c2cc(Cl)ccc2Br)c(F)c1Cl 2201611339 PDYORDRHFKYDAW-LLVKDONJSA-N 465.346 7.125 50 10 JKGE CCc1ccc([C@@H](Cl)c2ccc(Br)cc2I)cc1CC 2207271433 ICFDJTOFMUDKLK-QGZVFWFLSA-N 463.584 6.507 50 10 JKGE CO[C@@H]1CC[C@@H]1[C@H](Br)c1c(Br)sc(Br)c1Br 2211340303 QLWYNGUWLXUPCJ-BFHQHQDPSA-N 497.872 5.897 50 10 JKGE CCCN(CCCCCI)C[C@H]1CCCCN1C(=O)OC(C)(C)C 2214706064 YLQFAZGQGHPHEM-QGZVFWFLSA-N 452.421 5.093 50 10 JKGE FC(F)(F)[C@@H]1CC[C@@H]1[C@@H](Br)c1ccc(Br)cc1Br 2217676680 SJRREZLEISCMIQ-JVUFJMBOSA-N 450.918 6.236 50 10 JKGE Fc1cc(Br)c(Br)cc1[C@H](Br)C1CC[C@@H]2C[C@H]2CC1 2225615289 FVYJAMARNBNANT-IQMDTDKHSA-N 455.003 6.613 50 10 JKGE Cc1cccc([C@H](Cl)c2c(Br)cc(Cl)c(Cl)c2Cl)c1Br 2232511441 KIOALMJOFPFJAU-LBPRGKRZSA-N 477.838 7.808 50 10 JKGE FC(F)(F)[C@H]1CC[C@@H]1COc1c(Br)cc(CBr)cc1Br 2232684971 KBURGUNPJFPMEV-BDAKNGLRSA-N 480.944 6.074 50 10 JKGE CCc1cc([C@@H](Br)c2ccc(C)c(I)c2)c(F)cc1F 2232837378 RXQGPLYECHEMTJ-INIZCTEOSA-N 451.092 5.925 50 10 JKGE O=C(c1cc(Br)sc1Br)N1CC[C@@H]2[C@@H](Br)CCC[C@@H]2C1 2233740993 UHBIGKBCEFDLSF-YWVKMMECSA-N 486.067 5.299 50 10 JKGE Cc1cc(Br)c([C@H](Br)C[C@@H]2C[C@H]3CC[C@H]2C3)c(C)c1Br 2235603012 GJXYRRGBXQXZIN-PWNZVWSESA-N 465.067 7.091 50 10 JKGE FC[C@@]12CC[C@@]([C@@H](Br)c3cc(Br)sc3Br)(CO1)C2 2261563806 XHWGRPWOIGAZTL-DLOVCJGASA-N 463.004 5.618 50 10 JKGE COc1ccc([C@@H](Br)c2cccc(Cl)c2Cl)cc1I 2269553022 BXGSTUJATBRIMD-CYBMUJFWSA-N 471.947 6.091 50 10 JKGE C[C@@H]1COc2ccc([C@@H](Br)c3ccc(Cl)c(I)c3)cc21 2283575982 AOQAAELGOVAXBE-JDNHERCYSA-N 463.540 5.925 50 10 JKGE COc1c([C@@H](Br)c2cc(Br)sc2C)cc(Br)c(C)c1C 2284592843 DYWUAVNPSOEITE-AWEZNQCLSA-N 483.063 6.691 50 10 JKGE COc1ccc([C@H](Br)[C@H]2C[C@@H](OC(C)(C)C)C2)cc1I 2284998465 RINQXODOGOGKIP-ZOWXZIJZSA-N 453.158 5.330 50 10 JKGE COc1ccc(Br)cc1[C@@H](Br)c1cc(Br)c(F)cc1C 2285938348 ASCXDRAPJDNANE-HNNXBMFYSA-N 466.970 6.152 50 10 JKGE COc1c(Br)cc(Cl)c(C)c1[C@H](Cl)c1cc(Br)c(Cl)s1 2295271950 JUWSXNPYUIOKTL-LLVKDONJSA-N 479.448 7.225 50 10 JKGE Cc1cccc(C)c1NC(=O)C(C#N)=C1S[C@H](Cc2cccc(Cl)c2)C(=O)N1c1ccccc1 2297462701 ZVIFZAKZKQVENH-HSZRJFAPSA-N 488.012 6.022 50 10 JKGE N#CC(=Cc1ccc(OC(=O)c2ccccc2)cc1)C(=O)Nc1ccc(Br)cc1F 2297504941 KMAGNHYGQMZZGY-UHFFFAOYSA-N 465.278 5.353 50 10 JKGE N#CC(=Cc1ccccc1OCc1ccc(Cl)c(Cl)c1)C(=O)N1CCN(c2ccccc2)CC1 2313566873 CGJHFJJGJQKAIS-UHFFFAOYSA-N 492.406 5.828 50 10 JKGE C=CCc1cc(C=C(C#N)C(=O)Nc2ccc(C)cc2)ccc1OCc1ccc(Cl)cc1Cl 2313567675 KIOBFGAEQIPCRH-UHFFFAOYSA-N 477.391 7.155 50 10 JKGE COc1cc(C=C(C#N)C(=O)Nc2ccccc2)ccc1OCc1ccc(Cl)cc1Cl 2313630278 CYOLVUIAQRAARI-UHFFFAOYSA-N 453.325 6.127 50 10 JKGE Cc1ccc(COc2ccc(Br)cc2C=C(C#N)C(=O)Nc2cccc(C)c2)cc1 2313636632 HJEYLVROSWXFJW-UHFFFAOYSA-N 461.359 6.191 50 10 JKGE CCn1ncc(Br)c1[C@@H](Cl)c1cc(Br)ccc1OCc1ccccc1 2314458535 FUIDMSPZTOHYEE-SFHVURJKSA-N 484.619 6.335 50 10 JKGE CC(C)(C)c1ccc(C=CC(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@@H]3c2cccc(Cl)c2)cc1 2314634121 OBABQLMKAVSABK-HHHXNRCGSA-N 484.983 6.474 50 10 JKGE C[C@H](C[C@H](Br)c1c(Cl)cc(Br)c(F)c1Br)C1CC1 2315447690 QTKGPWHWYRLIQK-SVRRBLITSA-N 463.410 6.876 50 10 JKGE Cc1cc(Br)c([C@H](Cl)c2c(Br)ncn2C)cc1Br 2315588682 GDISWBCRIXWGIY-JTQLQIEISA-N 457.391 5.344 50 10 JKGE Clc1cc(I)c([C@H](Br)[C@]23CCCC[C@@H]2OCC3)s1 2316659633 VLBHUUKBLKZBGB-XDTLVQLUSA-N 461.590 5.791 50 10 JKGE CCCOc1c(Cl)cc(C=NNC(=O)c2nc(-c3ccccc3)sc2C)cc1OCC 2323749950 NWLLJZDETZURML-UHFFFAOYSA-N 457.983 5.723 50 10 JKGE Cc1cc(Cl)c([C@H](Br)c2sc(Cl)cc2I)c(Cl)c1 2327895880 IMZQPTSLSKUOOX-NSHDSACASA-N 496.422 7.106 50 10 JKGE COc1ccc(OCC(O)=C(C#N)c2nc(-c3ccc(Cl)cc3)cs2)c(C(C)(C)C)c1 2331299199 GMKGTYARVXLHSG-UHFFFAOYSA-N 454.979 6.641 50 10 JKGE Cc1ccc(-c2csc(C(C#N)=C(O)CNC(=O)c3ccc(Cl)cc3Cl)n2)c(C)c1 2331309019 NGUXMSVTWRROLP-UHFFFAOYSA-N 458.370 5.956 50 10 JKGE Cc1ccc(S(=O)(=O)NCC(O)=C(C#N)c2nc(-c3ccc(C(C)(C)C)cc3)cs2)cc1 2331332951 DUEXVAAPGLWAGD-UHFFFAOYSA-N 467.616 5.187 50 10 JKGE COc1c(Cl)cc(Cl)cc1-c1csc(C(C#N)=C(O)Cc2ccc(NC(C)=O)cc2)n1 2331362498 QXGFKHQGEKERMK-UHFFFAOYSA-N 474.369 6.119 50 10 JKGE COc1ccc(-c2csc(C(C#N)=C(O)C(c3ccccc3)c3ccccc3)n2)cc1Cl 2331398099 GROMVRCYAHDXJI-UHFFFAOYSA-N 458.970 7.097 50 10 JKGE COc1ccc(OCCCC(O)=C(C#N)c2nc(-c3cc(Cl)ccc3Cl)cs2)cc1 2331404419 BSRGBRSMFRDEKU-UHFFFAOYSA-N 461.370 6.777 50 10 JKGE N#CC(=Cc1cc(Br)ccc1O)c1nc(-c2ccc(-c3ccccc3)cc2)cs1 2331414262 RDKKOWUFDLLNJQ-UHFFFAOYSA-N 459.368 7.009 50 10 JKGE CO[C@@H]1CC[C@H]([C@@H](Br)c2c(Cl)cc(Br)c(F)c2Br)C1 2337084130 HXCCTYAQAIYMNY-MVKOHCKWSA-N 479.409 6.255 50 10 JKGE Fc1c(Br)cc(Cl)c([C@@H](Br)[C@@H]2C[C@H]3CC[C@@H]2C3)c1Br 2337098942 UCTGCTHOXATDKF-FCGKXJCRSA-N 475.421 6.876 50 10 JKGE COc1cc([C@@H](Br)c2csc(I)c2)c(OC)cc1Cl 2338241985 QDHAJLJULYHMGQ-ZDUSSCGKSA-N 473.557 5.508 50 10 JKGE Cn1nc(Br)c(Br)c1[C@@H](Br)c1cc(F)c(F)cc1Cl 2338860279 KIKDHEZLEORBKA-QMMMGPOBSA-N 479.344 5.361 50 10 JKGE Cc1cc(CBr)cnc1OCc1ccc(Cl)cc1I 2340110218 NFCRPRYRJAYEKA-UHFFFAOYSA-N 452.517 5.122 50 10 JKGE Cc1scc([C@H](Br)c2cc(Br)c3c(c2)CCO3)c1Br 2343561171 DXEZZSMAOFHEHO-CYBMUJFWSA-N 467.020 6.001 50 10 JKGE CC1(C)CCC[C@](CCl)(Cc2ccc(I)c(Br)c2)O1 2349841991 VRWSDZLZEHVJHI-OAHLLOKOSA-N 457.577 5.553 50 10 JKGE CC1(C)OCCC[C@@H]1[C@@H](Br)c1c(Cl)cc(Br)c(F)c1Br 2362232788 RXFSSTOVKWUPMA-RDDDGLTNSA-N 493.436 6.645 50 10 JKGE Clc1ccc(CN2C[C@@H]3CCCC[C@]3(CBr)C2)cc1I 2362375303 IRCTUMFHRXXCGQ-BBRMVZONSA-N 468.604 5.332 50 10 JKGE CC[C@@H]([C@@H](Br)c1c(C)cc(Br)c(OC)c1Br)C(C)(F)F 2365192376 BRJBRRFMVDRIJY-GZMMTYOYSA-N 478.997 6.646 50 10 JKGE Cc1cc(Br)c(F)c(Br)c1[C@@H](Br)C12CC(C)(C1)O[C@@H]2C 2365224240 WERQBELNHHPMTI-AMJHZRSMSA-N 471.002 6.053 50 10 JKGE Fc1cc(CCl)c(OCc2cc(I)ccc2Br)cc1Cl 2367519124 DYAKWKLQYMERFF-UHFFFAOYSA-N 489.937 6.164 50 10 JKGE CN(Cc1ccc(I)c(Br)c1)[C@H](CCl)c1ccccc1 2377351944 GQGBECYRBCAGJZ-MRXNPFEDSA-N 464.572 5.466 50 10 JKGE O=C(N/N=C/c1ccc(N2N=C(/C=C/c3ccccc3)C[C@@H]2c2ccccc2)cc1)c1ccncc1 15775693 WLZZNVJPWDXDQS-UQAGFIOPSA-N 471.564 5.866 50 10 JKGE C=CCc1cc(/C=C(/C#N)C(=O)OCC)cc(OCC)c1OCc1ccc(Br)cc1 34895761 OVTMPHGKXZVNJO-MOSHPQCFSA-N 470.363 5.625 50 10 JKGE N#C/C(=C\c1cn(-c2ccccc2)nc1-c1ccc(Cl)cc1)C(=O)Nc1cc(Cl)cc(Cl)c1 35518809 RWBAICPNTHIELW-LICLKQGHSA-N 493.781 7.045 50 10 JKGE Cc1ccc(C(C)C)c(Oc2nc3ccccn3c(=O)c2/C=C(/C#N)c2nc3ccccc3[nH]2)c1 35549832 YDVISZAZNHJOBP-CYVLTUHYSA-N 461.525 5.859 50 10 JKGE Cc1ccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)[C@@H](C)Oc4ccc(C(C)C)cc4)ccc32)cc1 38649295 NKCSOJYZVCDISD-WINIVTDRSA-N 468.553 5.710 50 10 JKGE Cc1cccc(C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@@H]3c2cccc(Br)c2)c1 38651443 PJROCWHSLNTTIV-JOCHJYFZSA-N 461.315 5.195 50 10 JKGE CCCOc1ccccc1[C@H]1C(C#N)=C(N)Oc2cc(OC(=O)[C@H](C)Oc3ccc(CC)cc3)ccc21 38681802 ILRGZLIDJASHOS-HMILPKGGSA-N 498.579 5.629 50 10 JKGE CCN(C(=O)c1oc2c(c1C)/C(=N/NC(=O)c1ccccc1Cl)CCC2)c1cccc(C)c1 40812734 KLQCGMMLZPZCPD-SGWCAAJKSA-N 463.965 5.687 50 10 JKGE Cc1c(C(=O)Oc2ccccc2)oc2c1/C(=N/NC(=O)c1ccc(-c3ccccc3)cc1)CCC2 40822785 GQJPINBWCFAJDJ-BGABXYSRSA-N 464.521 5.945 50 10 JKGE Cc1cc(C)c(OCC(=O)N/N=C/c2ccc(OCc3ccccc3)cc2)c(Br)c1 97136643 YTBHNLXBXSFFQA-VULFUBBASA-N 467.363 5.174 50 10 JKGE C[C@@H]1CCC[C@H](NC(=O)[C@@H](c2ccc(F)cc2)N(Cc2ccccc2Cl)C(=O)CCl)[C@@H]1C 97914547 KIAOROMIOPECFI-JXLUEJIVSA-N 479.423 5.729 50 10 JKGE Br[C@@H](c1ccc(C2CCCCC2)cc1)c1cccc(I)c1 109859929 AJIUAJFHRSGWSV-IBGZPJMESA-N 455.177 6.823 50 10 JKGE Clc1cc2c(cc1[C@@H](Br)c1csc(I)c1)OCCCO2 124420812 KLUGQHSRODAFNA-AWEZNQCLSA-N 485.568 5.652 50 10 JKGE CCC(CC)N(CCBr)S(=O)(=O)c1c(Cl)cc(Br)cc1Cl 147665846 UKLQLLJFMPPSBM-UHFFFAOYSA-N 482.065 5.330 50 10 JKGE Cc1ccc2ccccc2c1[C@H](Br)c1cc(Br)ccc1Br 161117547 PQFFXFKJDNRXNV-GOSISDBHSA-N 469.014 7.158 50 10 JKGE Brc1ccc([C@H](CI)OCc2ccccc2Br)cc1 162553590 SUWKQLUCWGPCMO-HNNXBMFYSA-N 495.980 5.905 50 10 JKGE CCC(CC)[C@@H](Br)CNC(=O)c1ccc(Br)cc1Br 230657710 UFFCJUDWPUDUMA-ZDUSSCGKSA-N 456.016 5.141 50 10 JKGE Cc1cc(Cl)c([C@H](Br)c2ccc(F)cc2I)cc1C 235844753 XDENQDOUOFQVDL-OAHLLOKOSA-N 453.520 6.185 50 10 JKGE Cc1cc(C)c([C@H](Br)c2cc(Br)ccc2I)s1 235878189 WOUGFOHQEKGDGA-GFCCVEGCSA-N 486.010 6.216 50 10 JKGE Clc1ccc([C@H](Br)c2cc(I)ccc2Br)cc1 236066356 VMUHTHNUEWEOGX-ZDUSSCGKSA-N 486.372 6.191 50 10 JKGE CCCc1ccc(-c2cc(C(=O)NN=Cc3cc4c(cc3Cl)OCO4)c3ccccc3n2)cc1 252623926 PCJJGGKWZBJVQP-UHFFFAOYSA-N 471.944 6.000 50 10 JKGE O=C(NN=Cc1c(-c2ccccc2)n(-c2ccccc2)c2ccccc12)c1c[nH]c2ccccc12 254601663 SBVVBFYTOFGWQG-UHFFFAOYSA-N 454.533 6.543 50 10 JKGE O=C(COc1cccc2ccccc12)NN=Cc1c(OC(=O)c2ccccc2)ccc2ccccc12 254854175 VTSGRPATXBKDCY-UHFFFAOYSA-N 474.516 5.741 50 10 JKGE CC[C@H](COc1c(Br)cc(CBr)cc1Br)CC(F)(F)F 402538660 ZPAUAGXYNYRHCB-QMMMGPOBSA-N 482.960 6.464 50 10 JKGE Cl[C@@H](c1cc(Br)sc1Br)c1nscc1Br 404703644 HLBRTKDHROJJTC-LURJTMIESA-N 452.418 5.820 50 10 JKGE CC(C)Oc1ccc([C@@H](Cl)c2ccc(I)c(Br)c2)cc1 721571313 FMYMBRQCXKKFAM-MRXNPFEDSA-N 465.556 6.169 50 10 JKGE Cc1cc(Br)c([C@H](Br)[C@H]2C[C@H](C)O[C@H](C)C2)cc1Br 724375321 DRIZUIKLVSICBB-JNIYBQFBSA-N 455.028 6.160 50 10 JKGE COc1ccc(NC(=O)/C(C#N)=C\c2cn(Cc3ccc(Br)cc3)c3ccccc23)cc1 1084063961 WNKQPEHEDQTPPZ-RGEXLXHISA-N 486.369 6.006 50 10 JKGE CC(=NNC(=O)c1ccc(NC(=O)c2ccc(C(C)(C)C)cc2)cc1)c1ccc2ccccc2c1 1084506082 QABXGFLCGWHHTA-UHFFFAOYSA-N 463.581 6.544 50 10 JKGE CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(C)cc2)c(Br)c(Br)c1O 1084559989 ZIJAWGWLSYONEU-MDWZMJQESA-N 480.156 5.170 50 10 JKGE CC(=NNC(=O)c1ccc(CSc2ccc(Cl)cc2)cc1)c1ccc2c(c1)OCCO2 1084621084 YACZAOBUXUYYNV-UHFFFAOYSA-N 452.963 5.558 50 10 JKGE Cc1ccc(CNC(=O)c2oc3c(c2C)C(=NNC(=O)c2ccccc2Br)CCC3)cc1 1772743887 LDBUYKVLWUJHTB-UHFFFAOYSA-N 494.389 5.059 50 10 JKGE Cc1cc(OC(=O)c2oc3c(c2C)C(=NNC(=O)c2ccc(F)cc2)CCC3)cc(C)c1Cl 1772745021 OONUZNFXJNXWEM-UHFFFAOYSA-N 468.912 5.687 50 10 JKGE Cc1c(C(=O)Oc2cccc3ccccc23)oc2c1C(=NNC(=O)c1cccc([N+](=O)[O-])c1)CCC2 1772746626 YMRVPRMDLGZTOM-UHFFFAOYSA-N 483.480 5.339 50 10 JKGE COc1cc(C=NNC(=O)COc2cccc(C)c2C)ccc1OCc1ccc(Cl)cc1 1772753387 YQQOMCVRHYPGTF-UHFFFAOYSA-N 452.938 5.074 50 10 JKGE CC1(C)[C@H](/C=C(\Cl)C(F)(F)F)[C@@H]1C(=O)OC(=O)[C@@H]1[C@@H](/C=C(\Cl)C(F)(F)F)C1(C)C 1848440314 ZECUHEDDUFLFSO-RTELKQEWSA-N 467.233 5.971 50 10 JKGE CC1([C@H]2CC[C@H]3[C@H]4[C@H](Br)C=C5CC6(CC[C@]5(C)[C@@H]4CC[C@@]32C)OCCO6)OCCO1 1848440534 AASJRIHHHXQXST-GXYAOEHPSA-N 481.471 5.445 50 10 JKGE N#CSc1ccc(NC(=O)Oc2cccc3c(NC(=O)c4ccc(Cl)cc4)cccc23)cc1 1858771007 CMMCKWVDLIMZRT-UHFFFAOYSA-N 473.941 6.930 50 10 JKGE N#CSc1ccc(NC(=O)c2ccnc(NC(=O)COc3ccc(Cl)cc3Cl)c2)cc1 1860507622 IOIVALFDSOIDLK-UHFFFAOYSA-N 473.341 5.231 50 10 JKGE CCCc1nn(Cc2ccc(Cl)cc2)c2c1[C@H](c1cccc(Br)c1)C(C#N)=C(N)O2 1865683813 ISYSVLYAGVYPGW-HXUWFJFHSA-N 483.797 5.518 50 10 JKGE Cc1nn(-c2ccc(Cl)c(Cl)c2)c2c1[C@H](c1ccc(C(C)(C)C)cc1)C(C#N)=C(N)O2 1865684557 RXONBIABEGDQQM-OAQYLSRUSA-N 453.373 6.003 50 10 JKGE CCc1nn(Cc2c(F)cccc2Cl)c2c1[C@@H](c1c(F)cccc1Cl)C(C#N)=C(N)O2 1865685808 NFMIXAOXWBQKGB-GOSISDBHSA-N 461.299 5.297 50 10 JKGE COc1ccc(-n2nc(-c3ccccc3)c3c2OC(N)=C(C#N)[C@@H]3c2cc(Cl)ccc2O)cc1 1865689637 VBVBAAZQJXBWLZ-QFIPXVFZSA-N 470.916 5.125 50 10 JKGE CCCOc1cccc([C@@H]2C(C#N)=C(N)Oc3c2c(C(F)(F)F)nn3Cc2cc(C)ccc2C)c1 1865694249 RRCZXRVCDSOXMG-OAQYLSRUSA-N 482.506 5.574 50 10 JKGE CCCCOc1ccc([C@H]2C(C#N)=C(N)Oc3c2c(CC)nn3-c2ccc(Cl)cc2)cc1OC 1865697145 OCGHSIVIUGTRFJ-QHCPKHFHSA-N 478.980 5.494 50 10 JKGE CCN(CC)c1ccc([C@H]2C(C#N)=C(N)Oc3c2c(C(F)(F)F)nn3Cc2cccc(F)c2)cc1 1865702168 OQYOICJYUVPRQJ-FQEVSTJZSA-N 485.485 5.154 50 10 JKGE Cc1ccc(SCCCC(=O)NNC(=O)c2ccc(-c3ccc(Cl)cc3)nc2C)cc1 1865755923 XBWLXLAXWBIAMV-UHFFFAOYSA-N 453.995 5.352 50 10 JKGE CSCC[C@H](NC(=O)C[C@H](c1ccc(Cl)cc1)C(C)C)C(=O)Nc1ccc(SC#N)cc1 1866755938 PIJJOAMETDDWAL-VXKWHMMOSA-N 490.094 5.919 50 10 JKGE C[C@@H](C(=O)N[C@H](C(=O)Nc1ccc(SC#N)cc1)c1ccccc1)c1ccc(Br)cc1 1866944590 RAOJZZCSXNWJNB-ZHRRBRCNSA-N 494.414 5.622 50 10 JKGE CC(C)c1nc(Nc2ccc(SC#N)cc2)cc(N2[C@H](Cc3ccccc3)COCC2(C)C)n1 1868231274 BBBVXPFRCBWVHB-JOCHJYFZSA-N 473.646 6.143 50 10 JKGE Cc1ccc2c(c1)CCN(c1cc(Nc3ccc(SC#N)cc3)nc(C(C)C)n1)[C@H]2CC(C)C 1868231524 JMCVMMVEEQNPSO-VWLOTQADSA-N 471.674 7.375 50 10 JKGE COc1cc(C)c(-c2csc(/C(C#N)=C(\O)c3ccc(N(C)C)c([N+](=O)[O-])c3)n2)cc1C(C)C 1872753630 GTOBQQNDRIMHRO-CLCOLTQESA-N 478.574 6.175 50 10 JKGE COc1ccc(Cl)cc1-c1csc(/C(C#N)=C(\O)COc2cc(C)c(Cl)c(C)c2)n1 1872758828 SCEXDCANONKDLN-ZPHPHTNESA-N 461.370 6.614 50 10 JKGE C[C@H](CBr)N(Cc1ccccc1)C(=O)c1c(Br)cccc1Br 1914231261 ABICHLGIYHXYHF-GFCCVEGCSA-N 490.033 5.637 50 10 JKGE COc1cc(F)c(Br)cc1[C@@H](Br)c1cc(C)c(Br)o1 1917604753 BTMVQSGVKBEUNZ-GFCCVEGCSA-N 456.931 5.745 50 10 JKGE Brc1cc(Br)c([C@H](Br)C2CC3(CCCCC3)C2)s1 1922905922 DUHKWXRMVVUGAT-GFCCVEGCSA-N 457.069 7.070 50 10 JKGE Cc1ccc(C)c(C[C@H](Br)c2sc(Br)cc2Br)c1 1922946848 WCCPDEIENBBOKZ-NSHDSACASA-N 453.037 6.569 50 10 JKGE Cc1cc(C)c([C@H](Br)c2sc(Br)cc2Br)c(C)c1 1922947130 YTFSBNRWGSPZSJ-ZDUSSCGKSA-N 453.037 6.683 50 10 JKGE FC(F)C1([C@@H](Br)c2c(Br)sc(Br)c2Cl)CC1 1923038445 JKAXFWVDHSUZBV-YFKPBYRVSA-N 459.375 6.408 50 10 JKGE FC1(F)[C@@H]([C@H](Br)c2c(Br)sc(Br)c2Cl)C12CCC2 1923067635 GNDOQYVKSYAMOK-VDTYLAMSSA-N 485.413 6.798 50 10 JKGE Fc1ccc([C@H](Br)Cc2ncccc2Br)c(I)c1 1924859924 CCSXGQTZCSBLBI-LLVKDONJSA-N 484.932 5.267 50 10 JKGE CCN(C[C@](C)(CI)O[C@@H]1CC[C@H](C)C[C@@H]1C)C(=O)OC(C)(C)C 1947111258 BTRXXVHRQPFPJM-GGXPGOJBSA-N 453.405 5.278 50 10 JKGE O=S(=O)(c1cc(CBr)sc1Br)N(Cc1ccccc1)CC1CCC1 2009622773 VOVLDVQODLVIJX-UHFFFAOYSA-N 493.286 5.397 50 10 JKGE Fc1ccc(C[C@@H](Br)c2csc(Br)c2Br)cc1F 2032954151 XPUMDACSBFRQNF-MRVPVSSYSA-N 460.963 6.230 50 10 JKGE Clc1c(Br)ccc(CBr)c1Oc1cncc(Br)c1 2036847792 ICLNTAWSYYVOOK-UHFFFAOYSA-N 456.359 5.947 50 10 JKGE Cl[C@H](c1c(Br)sc(Br)c1Br)C1[C@@H]2CCCCC[C@@H]12 2048338742 YXALOONRNQXYQN-AMXGMDGSSA-N 477.487 7.142 50 10 JKGE CCCN[C@H](c1c(Br)sc(Br)c1Cl)C1CC(Br)C1 2076168032 ULCCSAFLDQZMNC-QIMWKCOFSA-N 480.491 6.141 50 10 JKGE CCn1ncc(Br)c1[C@H](Br)c1c(Br)sc(C)c1C 2082870080 DQDNFFCWLYIFSO-SNVBAGLBSA-N 457.029 5.591 50 10 JKGE Fc1cc(Br)cc([C@@H](Cl)c2ccc(Br)cc2Br)c1 2083330143 LMNGRDYFNNRBCA-CYBMUJFWSA-N 457.362 6.441 50 10 JKGE Cc1c(Br)ccc([C@@H](Br)c2scc(Cl)c2Cl)c1Br 2083330502 PJEYIQHEAPHDFD-SNVBAGLBSA-N 493.873 7.373 50 10 JKGE COc1cc(Br)c(C)cc1[C@H](Br)c1ccc(OCc2ccccc2)cc1 2089723092 PKKZLYMGJDRXFO-JOCHJYFZSA-N 476.208 6.829 50 10 JKGE CN(C(=O)c1csc(Br)c1Br)[C@@H]1CCCCC[C@@H]1Br 2115913359 FPLZYSBHMMBOEN-VHSXEESVSA-N 474.056 5.441 50 10 JKGE Cc1c(Br)ccc([C@@H](Br)c2cccc(Cl)c2Cl)c1Br 2138850156 GTKYQAGRGJKJHK-CYBMUJFWSA-N 487.844 7.311 50 10 JKGE Cc1c(Br)ccc([C@H](Br)C2[C@@H]3CCCCC[C@@H]23)c1Br 2138870516 JJVNNWNZCWMVLG-UVWXRNBGSA-N 451.040 6.782 50 10 JKGE CO[C@@H]1C[C@@H]([C@@H](Br)c2ccc(Br)cc2Br)C12CCC2 2138876466 PQJAPLWBYARGFD-YUTCNCBUSA-N 453.012 5.853 50 10 JKGE Fc1cc(Cl)c([C@H](Br)c2cccc(Br)c2Br)cc1Cl 2139425816 GKPYTKMYWLBPFD-GFCCVEGCSA-N 491.807 7.142 50 10 JKGE C[C@]1(F)CN(c2cc(Br)cc(F)c2CBr)C[C@]1(C)Br 2140738740 DCECGUYQDVFMPP-STQMWFEESA-N 461.970 5.185 50 10 JKGE Clc1ccc(Oc2cc(Br)ccc2CBr)c(Br)c1Cl 2141425534 GIEMWEXOVDBZOU-UHFFFAOYSA-N 489.816 7.206 50 10 JKGE Brc1ccccc1C[C@H](Br)c1cc(Br)c2c(c1)CCO2 2146624607 CLNQOISCMVMILE-AWEZNQCLSA-N 460.991 5.825 50 10 JKGE Clc1cc2c(c([C@@H](Br)c3cccc(Br)c3Br)c1)OCC2 2148752330 SXHZCASEMKZJQF-ZDUSSCGKSA-N 481.409 6.284 50 10 JKGE COc1cc(F)c(Br)cc1[C@H](Cl)c1cccc(Br)c1Br 2148753379 WQFAAZTTXCQRNE-CQSZACIVSA-N 487.388 6.450 50 10 JKGE CN1C(=O)Cc2cc([C@H](Br)c3csc(Br)c3Br)ccc21 2150341851 LWBIMZYETGDNMU-LBPRGKRZSA-N 480.019 5.276 50 10 JKGE C[C@@]1(Cn2c(CCl)nc3cc(Cl)c(Br)cc32)CCCN1Cc1ccccc1 2169010605 NAJJVSWLIPJGDC-NRFANRHFSA-N 467.238 6.246 50 10 JKGE CN(c1cc(Br)cc(F)c1CBr)[C@H]1C[C@@H]2CC[C@H](C1)N2Cc1ccccc1 2170690112 ANMDZTREZOTTSP-REPLKXPHSA-N 496.262 6.115 50 10 JKGE Cc1cc(Br)c(F)c(C(=O)N[C@@H](C)CCCCCI)c1 2174528848 FVTTVOGYJZDPRA-NSHDSACASA-N 456.137 5.010 50 10 JKGE O=C(NCC[C@H]1CCCC[C@@H]1Br)c1cccc(Br)c1Br 2179628714 FXZUDAQZYXYRES-PWSUYJOCSA-N 468.027 5.285 50 10 JKGE CC(C)(C)[C@H]1C[C@H](CCl)CN(c2ncc(I)cc2Br)C1 2189899180 ATZHLHUMIHAPRI-MNOVXSKESA-N 471.608 5.176 50 10 JKGE CCCCCc1ccc([C@@H](Cl)c2cc(I)ccc2Br)s1 2197255987 LSDVNJKJXMRIMN-INIZCTEOSA-N 483.640 7.176 50 10 JKGE Cc1c(Br)ccc([C@H](Br)[C@H]2CCn3ccnc3C2)c1Br 2203703685 JOZKBICERZHRJM-ZUZCIYMTSA-N 463.011 5.415 50 10 JKGE Cc1sc(CNCCSSCCNC(=O)OC(C)(C)C)c(Br)c1C 2215907630 HWYQFIHOJJZNGO-UHFFFAOYSA-N 455.509 5.123 50 10 JKGE COC1CC(C[C@@H](Br)c2c(Br)cc(Cl)c(Cl)c2Cl)C1 2224304057 FCJCJSBBPDMRBJ-KAVNDROISA-N 451.413 6.660 50 10 JKGE C[C@@H]1CCO[C@H]1C[C@@H](Br)c1c(Br)cc(Cl)c(Cl)c1Cl 2224321704 MSMVQXIJMVLHCH-YNEQXMIYSA-N 451.413 6.660 50 10 JKGE ClCc1nc2cc(Br)c(Br)cc2n1[C@]12C[C@@H]1CN(Cc1ccccc1)C2 2225695548 AUXMSRGTFYBMJD-VLIAUNLRSA-N 495.646 5.531 50 10 JKGE Cc1ccccc1C(CBr)(CBr)Cc1cscc1Br 2227116078 SQYDHZYGLCYNPR-UHFFFAOYSA-N 467.064 6.089 50 10 JKGE COc1ccc([C@@H](Br)c2sc(C)c(C)c2Br)cc1Br 2229320779 XYKQKRPPSJIKBS-CYBMUJFWSA-N 469.036 6.383 50 10 JKGE CC(C)(C)OC(=O)N1CCC(CI)(O[C@@H]2CCCC[C@H]2C(F)(F)F)CC1 2231391695 SWFLTVOQKKTGEQ-ZIAGYGMSSA-N 491.332 5.329 50 10 JKGE Clc1cc(Cl)cc(C[C@@H](Br)c2cc(Br)cc(Br)c2)c1 2232136608 VGXMVFSKYFCHQY-CQSZACIVSA-N 487.844 7.197 50 10 JKGE Cc1ccc(I)c([C@H](Cl)[C@@H](C)c2ccncc2Br)c1 2232224659 ZRNNIQGNYMKZKX-ZUZCIYMTSA-N 450.545 5.841 50 10 JKGE Cc1ccc(Br)cc1[C@H](Cl)c1c(Br)cc(Cl)c(Cl)c1Cl 2232514099 SWAUNKLXZRVYIY-LBPRGKRZSA-N 477.838 7.808 50 10 JKGE Clc1cc(Br)c([C@H](Br)[C@@H]2C[C@H]3O[C@H]2[C@H]2C[C@@H]23)c(Cl)c1Cl 2232518927 HVARZALNBJSGPB-SIFFTZHVSA-N 461.408 6.269 50 10 JKGE Fc1cc(F)c([C@H](Br)c2cc(Br)c(Br)cc2F)c(F)c1 2233974533 FUEPEAZHQIPOBH-CYBMUJFWSA-N 476.887 6.252 50 10 JKGE Cc1cc([C@H](Br)c2cc(F)c(Br)cc2F)cc(C)c1Br 2235678610 MXULAAGEYNIPNN-HNNXBMFYSA-N 468.961 6.591 50 10 JKGE O=[N+]([O-])c1ccc(C[C@H](Br)c2scc(Br)c2Br)c(F)c1 2237448634 NSQVVNTVGOIVFO-QMMMGPOBSA-N 487.970 5.999 50 10 JKGE COC12CCC([C@@H](Br)c3cc(Br)c(Br)cc3F)(CC1)C2 2240261017 KAGLICNCQNUIFU-NFOMZHRRSA-N 471.002 6.136 50 10 JKGE COc1cc(F)c([C@H](Br)c2cc(C)ccc2I)c(F)c1 2240998367 ZCFDTCDKBGHNMZ-OAHLLOKOSA-N 453.064 5.371 50 10 JKGE Brc1ccccc1[C@H](CI)O[C@H]1CCN(Cc2ccccc2)C1 2244772325 YGHHTDVOBOKCFF-LPHOPBHVSA-N 486.191 5.216 50 10 JKGE Cc1c(Br)sc([C@H](Br)[C@@]23C[C@@H](CO2)C3(C)C)c1Br 2260656885 XXYLJAKLRWQIER-LCWDIZFYSA-N 459.041 5.833 50 10 JKGE Fc1cc(C[C@@H](Br)c2cccc(Br)c2Br)ccc1Cl 2277799577 NJBBAIBVOHYLDV-LLVKDONJSA-N 471.389 6.683 50 10 JKGE CN(Cc1ccccc1I)c1c(F)cc(CBr)cc1F 2280271714 YETJZLXOELLBDR-UHFFFAOYSA-N 452.080 5.101 50 10 JKGE COc1ccc(Br)c2c1nc([C@@H](C)Cl)n2CCCN(C)Cc1ccccc1 2286084314 DYXRSSVZVVDGEQ-OAHLLOKOSA-N 450.808 5.629 50 10 JKGE Cc1ccc([C@@H](Br)c2c(F)cc(Br)c(F)c2Br)c(C)c1 2288364647 UEPLGHFPLBXUOD-CYBMUJFWSA-N 468.961 6.591 50 10 JKGE Fc1cccc(Br)c1CC(CBr)(CBr)C1CCCCC1 2289538146 GHVVCMRCZFJADL-UHFFFAOYSA-N 471.046 6.487 50 10 JKGE CCOc1ccc(NC(=O)C(C#N)=Cc2cn(-c3ccccc3)nc2-c2ccc(F)cc2)cc1 2296537485 QKZHSFBFIPJNSX-UHFFFAOYSA-N 452.489 5.623 50 10 JKGE COc1ccccc1C=CC=NNC(=O)c1cc(-c2ccc(OCc3ccccc3)cc2)[nH]n1 2296679731 GWGVJSQNTXMJST-UHFFFAOYSA-N 452.514 5.093 50 10 JKGE CCSc1ccc(-c2nn(-c3ccccc3)cc2C=C(C#N)c2nc3ccccc3n2C)cc1 2296731427 WNQMGCGVKOSRJF-UHFFFAOYSA-N 461.594 6.602 50 10 JKGE N#CC(=Cc1cn(CC(=O)NCc2ccco2)c2ccccc12)C(=O)Nc1ccc(Cl)c(Cl)c1 2297552082 XFMUQEDRCNIHGF-UHFFFAOYSA-N 493.350 5.403 50 10 JKGE C=CCc1cc(C=C(C#N)C(=O)Nc2ccc(C)cc2)cc(OC)c1OCc1ccc(C)cc1 2313567054 BYYWRRHDJZMYKW-UHFFFAOYSA-N 452.554 6.165 50 10 JKGE N#CC(=Cc1ccc(-c2cc(C(F)(F)F)ccc2Cl)o1)C(=O)Nc1cc(Cl)cc(Cl)c1 2314487094 GPSWSXDFQJSBGR-UHFFFAOYSA-N 485.676 7.471 50 10 JKGE CNC(=O)C(C#N)=C1S[C@H](Cc2cccc(Cl)c2Cl)C(=O)N1c1ccc(C(C)C)cc1 2314593054 GMFULBFTUGUREW-LJQANCHMSA-N 474.413 5.289 50 10 JKGE Cc1ccc(C[C@H]2SC(=C(C#N)C(=O)NCc3ccccc3)N(c3ccc(C)c(C)c3)C2=O)cc1 2314594146 ZRNCRKNYDUNQKF-AREMUKBSSA-N 481.621 5.355 50 10 JKGE COc1cccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)C=Cc4ccc(Cl)cc4)ccc32)c1 2314634215 FBGUAVULJUQQFK-VWLOTQADSA-N 458.901 5.186 50 10 JKGE Clc1cc(I)c([C@H](Br)c2cc3ccccc3s2)s1 2316775522 TTXNXRIVQPLUGG-GFCCVEGCSA-N 469.594 6.705 50 10 JKGE Cc1scc([C@@H](Br)Cc2ccc(Br)cc2Cl)c1Br 2320475061 ZJPFZCXJJKTNFO-NSHDSACASA-N 473.455 6.914 50 10 JKGE CCOc1cc(C(=O)Oc2cccc(C=C(C#N)c3ccccc3)c2)cc(OCC)c1OCC 2320507152 ZTMNKAUJZXLISV-UHFFFAOYSA-N 457.526 6.166 50 10 JKGE CC(C)(C)OC(=O)NCCCCCC(=O)NN=Cc1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1 2328835265 ZWERYXFLYSXSCF-UHFFFAOYSA-N 461.647 5.522 50 10 JKGE CCCOc1ccc(-c2csc(C(C#N)=C(O)CCCOc3ccccc3C)n2)cc1OCCC 2331293539 WRVXBPYSLIVKFN-UHFFFAOYSA-N 492.641 7.348 50 10 JKGE CC[C@H](C)N1C(=O)c2ccc(C(O)=C(C#N)c3nc(-c4cccc(Cl)c4)cs3)cc2C1=O 2331293922 SKDYSOIXORAPOX-ZDUSSCGKSA-N 463.946 5.808 50 10 JKGE COc1cc(C=C(C#N)c2nc(-c3ccccc3Cl)cs2)ccc1OC(=O)c1ccccc1 2331430586 MKHBSDHKOUDRDU-UHFFFAOYSA-N 472.953 6.755 50 10 JKGE CCOc1cc(C=C(C#N)c2nc(-c3cc(C)ccc3C)cs2)cc(Br)c1O 2331445469 ALCHKQFOBJXKGD-UHFFFAOYSA-N 455.377 6.358 50 10 JKGE Brc1cccc(CN2C[C@H]3CC(Br)C[C@@H](C3)C2)c1Br 2338869064 JAOSZSPSTHLDLR-GHMZBOCLSA-N 452.028 5.207 50 10 JKGE CC1(C)C[C@](C)(CBr)CN1Cc1ccc(Cl)cc1I 2341011470 MEVPFUSBGRJROP-OAHLLOKOSA-N 456.593 5.330 50 10 JKGE Brc1cc(OCc2ccccc2)ccc1[C@H](Br)[C@H]1CCc2ccccc2C1 2361201924 WZIWRUFHGUZOIC-GBXCKJPGSA-N 486.247 7.269 50 10 JKGE C[C@H]1OC2(C)CC1([C@H](Br)c1c(Cl)cc(Br)c(F)c1Br)C2 2362229940 WKYOVOAIYRESJE-HJVQQPMZSA-N 491.420 6.398 50 10 JKGE Cc1cc(Br)c(F)c(Br)c1[C@H](Br)[C@H](CC(C)C)C(C)C 2365188420 LAFOAQVUHKZCSO-BXUZGUMPSA-N 473.062 7.413 50 10 JKGE COc1c(Br)cc(C)c([C@H](Br)[C@@H]2C[C@H]3CCC[C@@H]32)c1Br 2365236365 OUKZRBOHKNRGSD-FBKDDSFISA-N 467.039 6.401 50 10 JKGE CC(C)(C)c1ccc([C@@H]2C[C@@H]2C(=O)N/N=C/c2ccc(OC(=O)c3ccc(Cl)cc3)cc2)cc1 6075470 HPIFGKQRASOUIK-JTYSEGSDSA-N 474.988 6.111 50 10 JKGE CCCCCOc1ccc(C(=O)NNC(=O)COc2ccc(C(C)(C)C)cc2Br)cc1 14029518 XCUMDXBOOPQPAA-UHFFFAOYSA-N 491.426 5.156 50 10 JKGE Cc1ccc(-n2c([C@@H](C)N(CCC(C)C)C(=O)CCl)nc3cc(Cl)ccc3c2=O)cc1 16427683 YBOBAROGUALBNQ-QGZVFWFLSA-N 460.405 5.522 50 10 JKGE N#C/C(=C\c1ccc(-c2cc(Cl)ccc2Cl)o1)c1nc(-c2ccc(Cl)cc2)cs1 28356765 PNZCUQWLEUVCEZ-NTEUORMPSA-N 457.769 8.094 50 10 JKGE COc1ccc2nc(/C(C#N)=C/c3cc(Cl)c(OCc4ccc([N+](=O)[O-])cc4)c(Cl)c3)[nH]c2c1 33476848 FHTIMUIYMGYOAZ-LZYBPNLTSA-N 495.322 6.430 50 10 JKGE COc1cc(/C=C(/C#N)C(=O)Nc2cc(Cl)ccc2C)ccc1OCc1ccc(C(=O)O)cc1 33872165 GUERHFVRIFQDSL-JAIQZWGSSA-N 476.916 5.480 50 10 JKGE N#CC1=C(N)Oc2cc(OC(=O)c3cccs3)ccc2[C@@H]1c1cccc(OCc2ccccc2)c1 38686557 DRUKSMLHSZQGRP-SANMLTNESA-N 480.545 5.764 50 10 JKGE Cc1ccc2c(C)c(C(=O)Oc3ccc4c(c3)OC(N)=C(C#N)[C@@H]4c3ccc(F)cc3)oc2c1 38688051 ZRUJPZITMSSYCL-XMMPIXPASA-N 454.457 5.626 50 10 JKGE N#CC1=C(N)Oc2cc(OC(=O)c3sc4cc(Cl)ccc4c3Cl)ccc2[C@@H]1c1cccs1 38688363 FLRQNYFEBUWZKY-IBGZPJMESA-N 499.400 6.707 50 10 JKGE N#C/C(=C/c1c(Oc2ccc(F)cc2)nc2ccccn2c1=O)C(=O)Nc1cccc(C(F)(F)F)c1 39858689 BQROSRSTGGVAPQ-QINSGFPZSA-N 494.404 5.190 50 10 JKGE Cc1ccc(CNC(=O)c2oc3c(c2C)/C(=N/NC(=O)c2cccc4ccccc24)CCC3)cc1 40813522 NFYARPYHNKYEHV-QFMPWRQOSA-N 465.553 5.450 50 10 JKGE Cc1cc(C)c2c(CC(=O)N/N=C3\CCCc4oc(C(=O)Nc5ccccc5F)c(C)c43)coc2c1 40826853 PPTNMOPTDSYHSN-NJZRLIGZSA-N 487.531 5.742 50 10 JKGE Cc1cccc(COc2ccc(Br)cc2/C=N\NC(=O)CC[C@H](O)c2ccccc2)c1 58892502 GGSQNXPVLLOBEF-PXDDYHHSSA-N 481.390 5.300 50 10 JKGE COc1ccc(/C=C(\C#N)C(=O)Nc2cccc(SC(F)(F)C(F)(F)C(F)(F)F)c2)cc1 96572094 SSBMZHPSHDOZBN-UKTHLTGXSA-N 478.389 6.123 50 10 JKGE CCCCCCCOc1ccc(/C=C2/C(=O)N(C3CCCC3)C(=O)C(C#N)=C2C)cc1OCC 101338768 KKPXXVLBKWBQHK-HAVVHWLPSA-N 464.606 5.969 50 10 JKGE COc1cc2c(cc1N/C=C(/C#N)c1nc(-c3ccc([N+](=O)[O-])cc3)cs1)oc1ccccc12 102418291 CBKDRZKLBXMGHB-SSZFMOIBSA-N 468.494 6.603 50 10 JKGE CCOC(=O)c1sc(N/C=C(\C#N)c2nc(-c3ccc(C)c(C)c3)cs2)c(C(=O)OCC)c1C 102924539 GJLDVNIESMSBMJ-LDADJPATSA-N 495.626 6.127 50 10 JKGE Fc1c(F)c(F)c([C@@H](Cl)c2cc(Br)ccc2Br)c(F)c1F 109803267 QEZRSEBQMJCMHK-QMMMGPOBSA-N 450.426 6.235 50 10 JKGE Fc1c(F)c(F)c([C@H](Cl)c2cc(Br)sc2Br)c(F)c1F 109825144 ZMERRRCQRVWPEU-RXMQYKEDSA-N 456.455 6.297 50 10 JKGE FC(F)(F)c1ccc(C[C@H](Br)c2cccc(I)c2)cc1 110302686 KVWYNBXHRQQNCE-AWEZNQCLSA-N 455.055 5.989 50 10 JKGE Br[C@@H](Cc1nc2ccccc2s1)c1csc(I)c1 124561489 QBAYDCNRIBWZTB-VIFPVBQESA-N 450.164 5.641 50 10 JKGE Cc1cc(Br)c([C@H](Cl)c2cc(C)c(Br)s2)cc1Br 128690006 YLYXTSVQVWIYPT-LBPRGKRZSA-N 473.455 6.981 50 10 JKGE CCOc1ccc(C)cc1[C@H](Br)c1cc(Br)c(Br)s1 128871356 XTXPAULZSFWRBO-ZDUSSCGKSA-N 469.036 6.465 50 10 JKGE COc1cc(Br)c([C@H](Br)c2c(F)cccc2Br)cc1OC 161199592 ZHWPFOFTZVTKGK-HNNXBMFYSA-N 482.969 5.852 50 10 JKGE Fc1cccc(Br)c1[C@@H](Br)c1cc(Cl)c(Br)s1 161221339 IDWDEOAXNJNHSU-JTQLQIEISA-N 463.391 6.550 50 10 JKGE C[C@](CI)(OCc1ccccc1Cl)c1ccccc1Br 162010073 REOWJZAITGWXNP-MRXNPFEDSA-N 465.556 5.970 50 10 JKGE Clc1ccc(CO[C@@H](CI)c2ccc(Br)cc2)cc1 162443997 OGRNWBXGBYMEBT-HNNXBMFYSA-N 451.529 5.795 50 10 JKGE CC(C)c1ccc(/C=C(/C#N)C(=O)Oc2ccc(/C=C(/C#N)C(=O)NCc3ccco3)cc2)cc1 206698652 WJKRRFQJVNWGSH-YBOYZMIGSA-N 465.509 5.139 50 10 JKGE N#C/C(=C/c1ccc([N+](=O)[O-])cc1)C(=O)N1N=C2/C(=C\c3ccccc3)CCC[C@@H]2[C@@H]1c1ccccc1 229263425 MYIRVKFXDUJNEP-WNGLWOQYSA-N 488.547 6.325 50 10 JKGE Cc1cc([C@H](Br)c2ccc(Br)cc2C(F)(F)F)sc1Br 229518752 SCWRAKXGTMMCJX-LLVKDONJSA-N 492.980 7.085 50 10 JKGE COc1ccc(F)cc1[C@@H](Cl)c1cc(I)ccc1Br 234882045 OQBUVWGWLUVOLD-AWEZNQCLSA-N 455.492 5.530 50 10 JKGE O=C(Nc1cccc(CCl)c1)c1cc(Br)ccc1I 236033995 RZKMKMZBZZHHIL-UHFFFAOYSA-N 450.501 5.045 50 10 JKGE CC1(C)[C@H]2CC[C@@]1(C)[C@H](O[C@H](CI)c1cccc(Br)c1)C2 253126405 LUVGKLLGYGQOHL-ZDRJDWQYSA-N 463.197 6.157 50 10 JKGE Cc1ccc(C(=O)Oc2ccc(C=NNC(=O)COc3ccc(OCc4ccccc4)cc3)cc2)cc1 254513934 NXRPDZXELLBGJG-UHFFFAOYSA-N 494.547 5.322 50 10 JKGE C[C@H]1CN(Cc2ccccc2)CCCN1c1ccc(Br)cc1CBr 382664134 VQTYACMYLMDWCD-INIZCTEOSA-N 452.234 5.445 50 10 JKGE CCN(C[C@@](C)(CI)O[C@@H]1C[C@H]2CC[C@@]1(C)C2(C)C)C(=O)OC(C)(C)C 387937932 FPKKBFXJLBKAAG-IMAQQZIHSA-N 479.443 5.669 50 10 JKGE COc1cccc(CBr)c1OCc1cc(Cl)ccc1I 405288570 GBTJACNVAPRXSG-UHFFFAOYSA-N 467.528 5.427 50 10 JKGE CN(C(=O)OC(C)(C)C)c1ccc([C@H]2Cc3ccccc3N(CCO[Si](C)(C)C(C)(C)C)C2)cc1 616672553 QOMSMRGGQQGRKC-DEOSSOPVSA-N 496.768 7.226 50 10 JKGE CO[C@@H]1CCC[C@@H](C(CBr)(CBr)c2ccccc2Br)C1 686323288 MJJHNLWBMWVKKK-CHWSQXEVSA-N 469.055 5.682 50 10 JKGE COc1cc(/C=C(/C#N)C(=O)Nc2cccc3ccccc23)ccc1OC(=O)c1ccc(Cl)cc1 1083953769 NNLBXRFOCYDKIQ-QNGOZBTKSA-N 482.923 6.267 50 10 JKGE Cc1cc(C)cc(CSCC(=O)NN=Cc2c(Br)c(C)n(-c3cccc(C)c3)c2C)c1 1084088424 SCSDNZARDUXIKW-UHFFFAOYSA-N 498.490 6.165 50 10 JKGE CCOc1ccc([C@@H](O)CCC(=O)NN=Cc2cc(C)n(-c3ccc(C(C)(C)C)cc3)c2C)cc1 1084205614 CPORNIBOZGZLOS-MHZLTWQESA-N 475.633 5.754 50 10 JKGE O=C(NN=Cc1ccccc1OCc1ccccc1)c1ccc(CSc2ccc(Cl)cc2)cc1 1084289787 IOLLIVQMEFKAJQ-UHFFFAOYSA-N 487.024 6.975 50 10 JKGE COc1cccc([C@@H]2Nc3ccc(C(C)=NNC(=O)COc4ccccc4)cc3[C@@H]3C=CC[C@@H]32)c1OC 1084633127 AZFDNXLZMYYWOJ-RLPNJSHFSA-N 497.595 5.450 50 10 JKGE Cc1c(C(=O)Nc2cccc(Cl)c2)oc2c1C(=NNC(=O)c1ccccc1Cl)CCC2 1772743770 IFYZWBFUXYQGLK-UHFFFAOYSA-N 456.329 5.618 50 10 JKGE N#CSc1ccc(NC(=O)c2cc(CCc3ccccc3)n(Cc3ccccc3Cl)n2)cc1 1862326566 KKKHPUNNVYGCEF-UHFFFAOYSA-N 473.001 6.195 50 10 JKGE N#CC1=C(N)Oc2c(c(-c3ccccc3)nn2-c2ccccc2Cl)[C@@H]1c1cc(Cl)ccc1O 1865688991 GSYWBDKVDCAOHX-OAQYLSRUSA-N 475.335 5.770 50 10 JKGE CCCCCOc1ccc([C@@H]2C(C#N)=C(N)Oc3c2c(C)nn3Cc2ccc(F)cc2)cc1OCC 1865691086 IWKDZPFEYBFSDS-AREMUKBSSA-N 490.579 5.565 50 10 JKGE C=CCOc1ccccc1[C@H]1C(C#N)=C(N)Oc2c1c(-c1ccccc1)nn2Cc1ccccc1 1865691681 YTTUZGHGEJACFG-VWLOTQADSA-N 460.537 5.381 50 10 JKGE CCCCOc1ccc([C@H]2C(C#N)=C(N)Oc3c2c(C)nn3-c2cccc3ccccc23)cc1OC 1865696789 KLFFLNBXYOKXCJ-MHZLTWQESA-N 480.568 5.740 50 10 JKGE CCCc1nn(-c2ccc(Br)cc2)c2c1[C@H](c1cn(C)c3ccccc13)C(C#N)=C(N)O2 1865698697 APBODWQMSUTUIX-QFIPXVFZSA-N 488.389 5.297 50 10 JKGE Cc1ccsc1[C@@H]1C(C#N)=C(N)Oc2c1c(C(F)(F)F)nn2Cc1cccc(Cl)c1 1865699237 OCVSEZCRHVJLHR-CQSZACIVSA-N 450.873 5.192 50 10 JKGE Cc1ccccc1[C@H]1C(C#N)=C(N)Oc2c1c(-c1ccccc1)nn2Cc1ccccc1Cl 1865712709 GBCHKODJJVQDNG-QHCPKHFHSA-N 452.945 5.778 50 10 JKGE CCOc1cc(OCC)cc(C(=O)NNC(=O)c2ccc(-c3ccc(Cl)c(Cl)c3)nc2C)c1 1865759416 ZDBLJBGZJAFVCK-UHFFFAOYSA-N 488.371 5.236 50 10 JKGE Cc1nc(-c2ccc(Cl)cc2Cl)ccc1C(=O)NNC(=O)/C=C/c1ccc(C(C)C)cc1 1865759522 FFLGCPQOXINDHE-AWNIVKPZSA-N 468.384 5.962 50 10 JKGE COc1cccc(-c2nc(Nc3ccc(SC#N)cc3)cc(N3CCC(c4ncncn4)CC3)n2)c1 1868506197 TXYQVLIYPQQUES-UHFFFAOYSA-N 496.600 5.038 50 10 JKGE COc1cc(/C=C(\C#N)c2ccccc2[N+](=O)[O-])ccc1OCc1ccc(Cl)cc1Cl 1872729481 MOPPOIGTRXCHRO-LICLKQGHSA-N 455.297 6.553 50 10 JKGE C[C@H](c1ccccc1)N1C[C@@H](/C(O)=C(\C#N)c2nc(-c3cccc(Br)c3)cs2)CC1=O 1872745961 LKRSHEORUYBXJV-JNRAWFBVSA-N 494.414 5.975 50 10 JKGE COc1ccc(C(C)(C)C)cc1-c1csc(/C(C#N)=C(\O)c2cccc(OCC(C)C)c2)n1 1872751822 VNUJGXWJVSJNNH-LVWGJNHUSA-N 462.615 7.101 50 10 JKGE Cc1cc(OCCC/C(O)=C(\C#N)c2nc(-c3ccc(F)c(F)c3)cs2)cc(C)c1Cl 1872751877 XYTMWLUQXNIPPG-FXBPSFAMSA-N 460.933 7.010 50 10 JKGE COc1cc(/C(O)=C(\C#N)c2nc(-c3cc(C(C)C)c(OC)cc3C)cs2)c([N+](=O)[O-])cc1OC 1872753731 KLZWJEJKZKZMOB-MOHJPFBDSA-N 495.557 6.126 50 10 JKGE COc1cc(C)c(-c2csc(/C(C#N)=C(O)/C=C\c3ccc4c(c3)OCCO4)n2)cc1C(C)C 1872753733 KMSXETTYKQOMPR-NVOFLRLGSA-N 474.582 6.528 50 10 JKGE CCOc1ccc(/C=C(C(/O)=C(\C#N)c2nc(-c3ccc(Cl)s3)cs2)\c2ccccc2)cc1 1872757963 DXADNGXBIMHHQV-ZCUSTOMNSA-N 491.037 7.957 50 10 JKGE N#C/C(=C\c1ccc(OCc2ccccc2Cl)cc1)c1nc(-c2ccc3c(c2)OCCO3)cs1 1872792317 ROUHGDNRDUEZHP-FYJGNVAPSA-N 486.980 6.878 50 10 JKGE CCCCOc1ccc(/C=C(\C#N)c2nc(-c3cc(OC)c(Cl)cc3OC)cs2)cc1OCC 1872793603 JSVKHGIKEATSLY-WOJGMQOQSA-N 499.032 7.122 50 10 JKGE COc1cc(Cl)c(C)cc1-c1csc(/C(C#N)=C/c2cc(Br)ccc2F)n1 1872794102 KOOFLGLMGZGRDU-AWNIVKPZSA-N 463.759 6.746 50 10 JKGE Cc1cscc1[C@H](Br)c1ccc(OCc2ccccc2)cc1Br 1899881203 DSPGCQQVYFHNHM-LJQANCHMSA-N 452.211 6.882 50 10 JKGE O=C1c2ccccc2C(=O)N1C[C@H](Br)CCc1cc(Cl)ccc1Br 1905342772 KYEFAZHABSKFCM-GFCCVEGCSA-N 471.576 5.095 50 10 JKGE Cc1oc(Br)cc1[C@@H](Br)c1sc(Br)cc1Br 1922890882 HMLBECNQVHZEKW-SECBINFHSA-N 493.840 6.421 50 10 JKGE Cc1c(Br)sc([C@H](Cl)c2ccc(Br)c(Cl)c2)c1Br 1922946964 XDZUHOMEGQPDRI-SNVBAGLBSA-N 493.873 7.326 50 10 JKGE Cc1c(Cl)cccc1[C@@H](Br)c1sc(Br)c(C)c1Br 1922954412 NYBBGNFGCWBSSS-LLVKDONJSA-N 473.455 7.028 50 10 JKGE FC1(F)CC([C@@H](Cl)c2c(Br)sc(Br)c2Br)C1 1924604376 AUCMMNJEJRGNSP-ZCFIWIBFSA-N 459.375 6.361 50 10 JKGE CC[C@H](CC(C)C)[C@@H](Cl)c1c(Br)sc(Br)c1Br 1924605277 OSXNJDXHSSKURZ-GMSGAONNSA-N 467.492 7.388 50 10 JKGE Clc1sc(Br)c(Cl)c1[C@H](Br)c1cc2sccc2s1 1925587571 KNUAJFFSIYZYLY-MRVPVSSYSA-N 463.068 7.578 50 10 JKGE Cc1cc(Br)ccc1[C@H](Br)c1c(Cl)sc(Br)c1Cl 1925588899 QRPYZPHYTPFOHL-VIFPVBQESA-N 493.873 7.373 50 10 JKGE C[C@]1([C@H](Br)c2cc(Br)sc2Br)CCCC1(F)F 2002580606 CIAVJWNGKMNTSG-PSASIEDQSA-N 452.984 6.535 50 10 JKGE C[C@@H]1OCC[C@H]1C[C@H](Cl)c1c(Br)sc(Br)c1Br 2019621586 CQQXGQYHSRBQOB-ACZMJKKPSA-N 467.448 6.131 50 10 JKGE Cc1cc([C@H](Cl)c2cc(Cl)c(Br)s2)ccc1I 2026133302 SNINWVBPNHCWBL-NSHDSACASA-N 461.977 6.405 50 10 JKGE COc1cc(C)c(Br)cc1[C@@H](Br)c1sncc1Br 2028524306 KJMPJNBGNNRCFD-LLVKDONJSA-N 455.997 5.469 50 10 JKGE CC12CCC([C@@H](Br)c3cc(Br)sc3Br)(CC1)CO2 2069712442 NIXPXNDEUZFPMN-PKSQDBQZSA-N 459.041 6.058 50 10 JKGE C[C@@H](Br)[C@@H](NCc1c(Br)cccc1Br)C(F)(F)F 2074719457 HFPKQCGRGMAJQY-LHLIQPBNSA-N 453.922 5.016 50 10 JKGE CC(C)(C)OC(=O)N1C[C@H](I)[C@H](OC[C@@H]2C[C@H]2C2CCCCCC2)C1 2080297058 KAGKVPIKJTURKY-XLAORIBOSA-N 463.400 5.032 50 10 JKGE Fc1cc(Br)c([C@H](Cl)c2csc(I)c2)c(F)c1Cl 2081842878 FQNLKPIZVUXJQV-SECBINFHSA-N 483.930 6.375 50 10 JKGE Cc1cccc(CC(CBr)(CBr)C2CCCC2)c1Br 2087884654 ICKXPJWIWBMDPJ-UHFFFAOYSA-N 453.056 6.266 50 10 JKGE C[C@H]1Cc2cc([C@H](Br)c3cscc3OCc3ccccc3)cc(Br)c2O1 2100079314 QACRHKVCGRPRCP-RBZFPXEDSA-N 494.248 6.897 50 10 JKGE FC(F)(F)c1sccc1[C@H](Br)c1c(Cl)sc(Br)c1Cl 2101413097 GOZRZHHKBNSGLT-YFKPBYRVSA-N 474.976 7.382 50 10 JKGE CC(C)(C)OC(=O)N1CC[C@@H]([S@@](C)(=O)=NCCCCCCCCCBr)C1 2106785433 OSNHAWXORSTCBA-WGDIFIGCSA-N 453.487 5.219 50 10 JKGE Clc1ccc(CC(CBr)(CBr)C2CCCC2)cc1Br 2110524012 NWHDLBLYTRLEPF-UHFFFAOYSA-N 473.474 6.611 50 10 JKGE Cc1nc([C@H](Br)c2c(Br)cc(F)c(F)c2F)c(Br)s1 2113190228 SWGPBQDARCFDGM-SSDOTTSWSA-N 479.941 5.878 50 10 JKGE Cc1cc(Br)c(C)c([C@H](Br)[C@H]2CCCC23CC3)c1Br 2136367408 QMGOHUWQAFPRTJ-IAQYHMDHSA-N 451.040 6.845 50 10 JKGE Cc1cc(Br)c(C)c([C@H](Br)[C@@H]2CCCOCC2)c1Br 2136370798 PWWSZZIERYSJPS-IAQYHMDHSA-N 455.028 6.081 50 10 JKGE COc1c(Cl)cc(Br)cc1[C@H](Br)c1ccc(OCc2ccccc2)cc1 2138249103 VDNDVJWVXQIKCZ-HXUWFJFHSA-N 496.626 7.174 50 10 JKGE COc1c(Cl)cc(Br)cc1[C@H](Cl)c1ccc(I)cc1 2138254883 XEXWRWGBPGVIRZ-CYBMUJFWSA-N 471.947 6.044 50 10 JKGE FC1(F)CCCCC[C@H]1[C@@H](Br)c1ccc(Br)cc1Br 2138873795 QQZBCDHWRPYBNK-AAEUAGOBSA-N 460.982 6.863 50 10 JKGE Clc1cc2c(cc1[C@@H](Br)c1cscc1OCc1ccccc1)OCCCO2 2156307580 ZDZFQVJYJDEJPT-OAQYLSRUSA-N 465.796 6.626 50 10 JKGE Cc1ccc([C@H](Br)c2cc(Cl)c(C)c(Br)c2)c(C)c1Br 2167384462 OCHNMLWAFQUXEC-MRXNPFEDSA-N 481.453 7.275 50 10 JKGE C[C@@H]1CCCC[C@]12[C@H](Br)C[C@H]2Oc1ccc(Br)cc1Br 2173630650 XBSVFLDOQLROCQ-HMTTWLPMSA-N 467.039 6.323 50 10 JKGE O=C(c1scc(Br)c1Br)N1C[C@@]2(F)CCC[C@@]2(CBr)C1 2176640716 OWTLHZKCSSAWHU-OLZOCXBDSA-N 490.030 5.002 50 10 JKGE Cc1cc(Br)c(C)c([C@H](Br)[C@@H]2C[C@@H]3C[C@@H]3C[C@H]2C)c1Br 2201065122 NISMIKWGTIOWHM-VWWKDTBZSA-N 465.067 6.947 50 10 JKGE COc1c(Cl)cc(Br)cc1[C@@H](Br)Cc1cccc(Br)c1 2203004467 RHBWJBHEYYAPMR-ZDUSSCGKSA-N 483.425 6.552 50 10 JKGE FC1(F)C[C@]12CCC[C@@H]([C@H](Br)c1ccc(Br)cc1Br)C2 2203690694 FGPTXLSIESOQQA-BIGNPOOSSA-N 472.993 6.863 50 10 JKGE COc1cc(F)c(F)cc1[C@H](Br)c1ccc(I)c(C)c1 2207095042 AJYPBJGOISQWLQ-OAHLLOKOSA-N 453.064 5.371 50 10 JKGE Cc1cc([C@@H](Br)c2c(F)c(F)cc(F)c2F)ccc1I 2207106599 XYHHHUCEGGLMIR-GFCCVEGCSA-N 459.018 5.640 50 10 JKGE CC[C@H](Br)CN(Cc1ccccc1)C(=O)c1sc(C)c(C)c1Br 2211913728 ZJDCOVZYLXEZDP-HNNXBMFYSA-N 459.247 5.943 50 10 JKGE Cc1c(Br)sc([C@H](Br)c2cc(Br)ccc2F)c1C 2218791934 VLRVBKGZIJYVGX-LLVKDONJSA-N 457.000 6.513 50 10 JKGE Cc1sc(Br)c(C)c1[C@H](Br)c1c(Cl)cccc1Br 2218798291 MGFXUEICRIXSKQ-LBPRGKRZSA-N 473.455 7.028 50 10 JKGE FC(F)(F)C1([C@@H](Br)c2c(Br)cc(Cl)c(Cl)c2Cl)CC1 2224318149 UILCKUSAFTYPGX-VIFPVBQESA-N 461.330 7.188 50 10 JKGE Clc1cc(Br)ccc1C[C@@H](Br)c1cccc(Br)c1Cl 2229155008 YRKMYKHNWHDHFV-GFCCVEGCSA-N 487.844 7.197 50 10 JKGE CCc1sc(Br)cc1[C@@H](Br)c1ccc(OC)cc1Br 2232082007 PBERDPILWOSBLN-AWEZNQCLSA-N 469.036 6.328 50 10 JKGE Clc1cc(Br)c([C@H](Br)[C@H]2CCCCC23CC3)c(Cl)c1Cl 2232510813 IBNHATIQHXRFRA-PRHODGIISA-N 461.452 7.816 50 10 JKGE Cc1cc(Br)c([C@@H](Br)c2c(C)cccc2Br)c(C)c1Cl 2232527347 CQFHHZWGCVRDKC-HNNXBMFYSA-N 481.453 7.275 50 10 JKGE CCOc1ccc([C@@H](Cl)c2cc(C)ccc2I)cc1Br 2241003118 ZOXMBSMUFYGCHG-MRXNPFEDSA-N 465.556 6.089 50 10 JKGE CCc1cc([C@H](Br)c2ccc(OCc3ccccc3)cc2)sc1Br 2248000849 IQXKAMPNMUUMSI-LJQANCHMSA-N 466.238 7.136 50 10 JKGE CCc1cc(Br)c([C@H](Br)c2cccc(Cl)c2Br)s1 2256136768 MHONEQZIJIBQRH-GFCCVEGCSA-N 473.455 6.973 50 10 JKGE COc1ccc([C@H](Cl)c2c(Br)sc(C)c2C)cc1I 2269532514 AFHBQFCFRUHCJO-ZDUSSCGKSA-N 471.585 6.069 50 10 JKGE COc1ccc([C@H](Br)c2cc(Cl)ccc2Cl)cc1I 2269550540 ZZSBXDQFBSVZEK-AWEZNQCLSA-N 471.947 6.091 50 10 JKGE CCOC1CC(C[C@H](Br)Cc2cc(Br)cc(Br)c2)C1 2277966582 UUJFWLFCHBAJGJ-MQYJIDSJSA-N 455.028 5.723 50 10 JKGE CCCN[C@H](c1c(F)cc(Br)c(F)c1Br)C1CC(Br)C1 2288375761 HASLYFJVIHGUEN-RAPRUERJSA-N 475.997 5.704 50 10 JKGE CCOC(=O)C(C#N)=Cc1cc(Br)c(OCCOc2ccc(C)c(C)c2)c(OC)c1 2293993156 PHSDQELSKODSRW-UHFFFAOYSA-N 474.351 5.002 50 10 JKGE CO[C@@H]1CC[C@@H]([C@@H](Br)c2cc(Br)ccc2OCc2ccccc2)C1 2299489777 SHGCIKLLUAHWEB-WRWLIDTKSA-N 454.202 6.279 50 10 JKGE CC1(C)C[C@@H]([C@H](Br)c2cc(Br)ccc2OCc2ccccc2)CO1 2299503337 DWXBINMFXRNLIT-BEFAXECRSA-N 454.202 6.279 50 10 JKGE FC1(F)CCC([C@@H](Br)c2sc(Cl)cc2I)CC1 2300956531 AYJBCBDMESWGRC-SECBINFHSA-N 455.533 6.268 50 10 JKGE C=CCc1cc(C=C(C#N)C(=O)N(C)C)cc(Br)c1OCc1ccc(Cl)cc1 2313568770 WYTXJGWEBPUWGR-UHFFFAOYSA-N 459.771 5.405 50 10 JKGE Cc1cccc(NC(=O)C(C#N)=Cc2ccc(OCc3ccc(Br)cc3)cc2)c1C 2313667347 LGORIXPSHYUPPY-UHFFFAOYSA-N 461.359 6.191 50 10 JKGE N#CC(=Cc1ccc(N2N=C(c3ccccc3)C[C@H]2c2ccccc2)cc1)c1[nH][nH]c(=N)c1C#N 2314482293 GILSZWQPYHYMGD-SANMLTNESA-N 455.525 5.114 50 10 JKGE Clc1ccc(C[C@@H](Br)c2ccc(OCc3ccccc3)cc2Br)cc1 2314501362 WVUOWQKADXMSRA-HXUWFJFHSA-N 480.627 7.360 50 10 JKGE Cc1ccc(C[C@H]2SC(=C(C#N)C(=O)N[C@H](C)c3ccccc3)N(c3ccc(C)c(C)c3)C2=O)cc1 2314593279 KUGRWEINLJQQNO-AJTFRIOCSA-N 495.648 5.916 50 10 JKGE CC1=C(C#N)C(=O)N(Cc2cccnc2)C(=O)C1=Cc1ccc(-c2cc(Cl)ccc2Cl)o1 2314618091 HDYZEKGORPBTCI-UHFFFAOYSA-N 464.308 5.441 50 10 JKGE N#CC1=C(N)Oc2cc(OC(=O)C=Cc3ccc(Cl)cc3Cl)ccc2[C@@H]1c1ccccc1F 2314634135 QHBDZQNIDDVLTI-DEOSSOPVSA-N 481.310 5.969 50 10 JKGE CCCOc1cccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)C=Cc4ccc(Cl)cc4)ccc32)c1 2314634764 HRHJOWXBVALMSU-MHZLTWQESA-N 486.955 5.966 50 10 JKGE Fc1c(Br)cc(Cl)c([C@H](Br)C(F)(F)C(F)F)c1Br 2315448455 ALSWKBJNJGFGOS-ZETCQYMHSA-N 481.278 6.341 50 10 JKGE CCOc1ccc(CCC(O)=C(C#N)c2nc(-c3ccc(Cl)cc3Cl)cs2)cc1OC 2331254392 GWTRWWSLYIGFRT-UHFFFAOYSA-N 475.397 6.950 50 10 JKGE COc1ccc(OC)c(CC(O)=C(C#N)c2nc(-c3ccc(Br)cc3)cs2)c1 2331259596 APHAEGCPOVAXDU-UHFFFAOYSA-N 457.349 5.625 50 10 JKGE N#CC(=C(O)CCCOc1ccc(Cl)cc1)c1nc(-c2ccc(Br)cc2)cs1 2331260590 POJIUYUYTCCYSL-UHFFFAOYSA-N 475.795 6.878 50 10 JKGE N#CC(=C(O)c1ccc2c(c1)C(=O)N(Cc1ccco1)C2=O)c1nc(-c2ccc(Cl)cc2)cs1 2331300797 OTFHLWXAKJESAI-UHFFFAOYSA-N 487.924 5.803 50 10 JKGE CCOc1cc(C(O)=C(C#N)c2nc(-c3cccc4ccccc34)cs2)cc(OCC)c1OCC 2331338027 SYBSJBBFRMKHRR-UHFFFAOYSA-N 486.593 7.109 50 10 JKGE COc1ccc(-c2csc(C(C#N)=C(O)C=Cc3ccc(C(C)C)cc3)n2)c2ccccc12 2331406546 YKZJTJXGQMTTNI-UHFFFAOYSA-N 452.579 7.601 50 10 JKGE CCc1ccc(-c2csc(C(C#N)=Cc3ccc(OCc4ccccc4Cl)cc3)n2)cc1 2331417719 LKPVSOZZVNYBOR-UHFFFAOYSA-N 456.998 7.669 50 10 JKGE CCOc1c(Br)cc(C=C(C#N)c2nc(-c3ccc(C(C)(C)C)cc3)cs2)cc1OC 2331453435 SUHADFVKCYZOON-UHFFFAOYSA-N 497.458 7.342 50 10 JKGE Cc1cc(I)c(Oc2ccnc(CBr)c2C)cc1Cl 2336543052 FFJWVBHJLHFOHN-UHFFFAOYSA-N 452.517 5.644 50 10 JKGE Cc1c(F)ccc([C@@H](Cl)c2c(Br)sc(Br)c2Cl)c1Cl 2338566036 HXDUWWLZTABBNN-SECBINFHSA-N 467.412 7.356 50 10 JKGE COc1c(Br)cc(C)c([C@@H](Cl)c2csc(Br)c2)c1Br 2339680842 BGZMSPKIJCYZGX-LBPRGKRZSA-N 489.454 6.681 50 10 JKGE CCCC1CC([C@@H](Br)c2c(C)cc(Br)c(F)c2Br)C1 2339682691 VFUWGOXUBLEONE-SRHKJQAYSA-N 457.019 6.921 50 10 JKGE CO[C@]1(C(F)F)C[C@H]([C@@H](Br)c2cc(Br)ccc2OCc2ccccc2)C1 2343016732 DPLVXMCJVGMNJH-DJKXOVBDSA-N 490.182 6.524 50 10 JKGE C[C@@H]1O[C@@]2([C@@H](Br)c3c(Cl)cc(Br)c(F)c3Br)CC[C@H]1C2 2362233370 ZRQCHVATWDMAPV-HIZWJCBPSA-N 491.420 6.398 50 10 JKGE Cc1cc(Br)c(F)c(Br)c1[C@@H](Br)C1C[C@@H]2CC[C@H](C1)O2 2365180500 SFDYJYYZTAGCEA-GGLDHJKQSA-N 471.002 6.053 50 10 JKGE COc1c(Br)cc(C)c([C@@H](Br)[C@@H]2CCC23CCC3)c1Br 2365182859 DPVQPSXBYRESRT-GWCFXTLKSA-N 467.039 6.545 50 10 JKGE Cc1cc(Br)c(F)c(Br)c1[C@@H](Br)[C@H]1CC[C@H]2C[C@H]1CO2 2365189950 ZURMQUKFYNYGSB-YVNDNENWSA-N 471.002 5.910 50 10 JKGE Fc1cc(Cl)c([C@@H](Br)c2cc(C3CC3)c(Br)s2)c(Cl)c1 2366405321 OSYJWWVULISPRX-ZDUSSCGKSA-N 459.005 7.318 50 10 JKGE COC1(C(F)F)CC([C@H](Br)c2cc(Br)c(C)cc2Br)C1 2368974776 HEAIAXKJCVBZGD-ZAQGZADTSA-N 476.981 6.016 50 10 JKGE Cc1ccc(C[C@@H]2S/C(=C(/C#N)C(=O)c3c[nH]c4ccccc34)N(c3ccccc3)C2=O)cc1 11666695 NBUYLIWBAPSQTH-NNHPPCHPSA-N 463.562 5.786 50 10 JKGE COc1ccc2ccccc2c1/C=N/NC(=O)c1ccc(NC(=O)c2ccc(C(C)(C)C)cc2)cc1 12491840 IPMFFMPWEGIQDS-ZCTHSVRISA-N 479.580 6.162 50 10 JKGE CCCCCCOc1ccc(C(=O)NNC(=O)c2ccccc2OCCC)cc1Br 14640817 BYXPUOFQOUVSHJ-UHFFFAOYSA-N 477.399 5.272 50 10 JKGE CCCCCCOc1ccc(Br)cc1C(=O)NNC(=O)Cc1ccc(Cl)cc1 14648361 MHMICJGZXYIJAE-UHFFFAOYSA-N 467.791 5.065 50 10 JKGE CC(C)(C)c1ccc(OCC(=O)NNC(=O)COc2ccccc2-c2ccccc2)c(C(C)(C)C)c1 14661606 DBAVKILIWYOMNQ-UHFFFAOYSA-N 488.628 5.554 50 10 JKGE C=CCc1cccc(/C=N\NC(=O)CSc2nc3ccccc3n2Cc2ccccc2Cl)c1O 19826021 YGVDGQXNVWIFQS-MBTHVWNTSA-N 491.016 5.415 50 10 JKGE C/C(=N\NC(=O)[C@H]1C[C@H]1c1ccccc1)c1ccc(NC(=O)c2ccc(Cl)cc2Cl)cc1 20157971 VCWXLGAMONAJQH-ZZFYKZSPSA-N 466.368 5.890 50 10 JKGE N#C/C(=C\c1ccc(OC(=O)c2ccc(Cl)cc2Cl)cc1)C(=O)Nc1ccc([N+](=O)[O-])cc1 20457299 WOIRMNJXFGAABP-RVDMUPIBSA-N 482.279 5.666 50 10 JKGE CCSc1sccc1[C@@H]1C(C#N)=C(N)N(c2ccc(Cl)cc2[N+](=O)[O-])C2=C1C(=O)CCC2 27550405 OBXLDXXBGSHCRE-LJQANCHMSA-N 487.006 5.726 50 10 JKGE COc1ccc(CCC(=O)Oc2ccc(/C=C(/C#N)c3ccc(OC)c(OC)c3)cc2)cc1OC 31901067 GCFAHFJAZADGIP-JCMHNJIXSA-N 473.525 5.323 50 10 JKGE COc1ccc(-c2nn(-c3ccccc3)cc2/C=C(\C#N)c2nc(-c3ccc(F)cc3)cs2)cc1 33746037 AYZVBZYHEFBYOT-RCCKNPSSSA-N 478.552 6.875 50 10 JKGE CCCCCN1C(=O)C(C#N)=C(C)/C(=C\c2ccc(OCc3ccc(Cl)cc3)c(OCC)c2)C1=O 38603988 WWHGCMJXDIIKCZ-HZHRSRAPSA-N 493.003 6.100 50 10 JKGE COc1cccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4ccc(OCC(C)C)cc4)ccc32)c1 38650195 OWEGXQREBINIAB-AREMUKBSSA-N 470.525 5.167 50 10 JKGE CCCCOc1ccccc1[C@@H]1C(C#N)=C(N)Oc2cc(OC(=O)c3cccc(OCC)c3)ccc21 38683009 KUHYEXGGEJNWLY-MHZLTWQESA-N 484.552 5.702 50 10 JKGE Cc1ccc2nc(N(/N=C/c3ccc(Br)cc3)C(=O)C3CCCCC3)sc2c1 39714218 FAFHYUAOVYVLLV-ZVHZXABRSA-N 456.409 6.315 50 10 JKGE CCCCc1ccc(NC(=O)c2oc3c(c2C)/C(=N/NC(=O)COc2ccccc2)CCC3)cc1 40815990 KAGHIRKICDGXAE-JJKYIXSRSA-N 473.573 5.419 50 10 JKGE CCCNC(=O)/C(C#N)=C/c1ccc(OC(=O)c2ccccc2CCc2ccccc2)c(OC)c1 40884506 CIDQTLDQMAGFNH-HKOYGPOVSA-N 468.553 5.133 50 10 JKGE O=C(CSc1nc(-c2ccc(Cl)cc2)cs1)N/N=C/c1ccc(Cl)cc1Cl 40924693 UJIYCSIJIFUISB-GZIVZEMBSA-N 456.807 6.013 50 10 JKGE COc1cc(/C=C(/C#N)C(=O)Nc2ccc(C)cc2)cc(Br)c1OCc1cccc(C)c1 59335374 LRBCRSYKCMXXQI-MTJSOVHGSA-N 491.385 6.199 50 10 JKGE O=C(Nc1ccccc1C(=O)N/N=C\c1ccc(Cl)cc1)c1cccc(Br)c1 59391154 DTMNSOOLPWRTLE-CFRMEGHHSA-N 456.727 5.119 50 10 JKGE Cc1cc([C@H](Br)c2ccc(F)cc2Br)c(C)cc1Br 70472082 GYTIHPOYTZTLPA-OAHLLOKOSA-N 450.971 6.452 50 10 JKGE CCOc1cc(/C=C(/C#N)c2nc3ccccc3s2)c(Br)c(Br)c1O 96921052 XRFZRNAIKYHFLP-XFFZJAGNSA-N 480.181 5.990 50 10 JKGE Brc1cc([C@@H](Br)c2ccc(-c3ccccc3)cc2)sc1Br 128547793 PGNZQJRSPPXSBW-INIZCTEOSA-N 487.054 7.424 50 10 JKGE Fc1ccc([C@H](Br)c2cc(Br)c(Br)s2)c2ccccc12 128564826 BPNDDGMAIMMUCH-AWEZNQCLSA-N 479.006 7.050 50 10 JKGE O=c1[nH]c2cc(Br)c([C@@H](Cl)c3ccc(Br)c(Cl)c3)cc2[nH]1 129186637 JEGJFGBKJVICHS-ZDUSSCGKSA-N 450.945 5.363 50 10 JKGE O=c1[nH]c2cc(Br)c([C@@H](Br)c3ccc(Br)c(Cl)c3)cc2[nH]1 129187039 BUUPRFLLYBBFCA-ZDUSSCGKSA-N 495.396 5.519 50 10 JKGE Cc1cc([C@H](Br)c2cc(Br)c(C)cc2Br)c(F)cc1F 137365566 FGOWAQJLVLUODE-OAHLLOKOSA-N 468.961 6.591 50 10 JKGE CCOc1ccc(/C=C(/C#N)C(=O)Nc2ccc(-c3nc4ccc(C)cc4s3)cc2)cc1OC 206244918 OWEORLZYYDASQD-ZHZULCJRSA-N 469.566 6.225 50 10 JKGE CCCCCN1C(=O)C(C#N)=C(C)/C(=C/c2cn(-c3ccccc3)nc2-c2ccc(C)cc2)C1=O 214232404 PWJDJXPWNKZODK-UQQQWYQISA-N 464.569 5.630 50 10 JKGE COc1ccc([C@@H](Cl)c2ccc(I)c(Cl)c2)c(Br)c1 232342359 NYJSUSDZBWTXTQ-AWEZNQCLSA-N 471.947 6.044 50 10 JKGE CCCCc1ccc([C@@H](Br)c2cc(Br)cc(Br)c2)cc1 233039478 MNRNDRFJSRKNDN-QGZVFWFLSA-N 461.035 7.039 50 10 JKGE Clc1ccc([C@@H](Br)c2cc(Br)cc3c2OCC3)cc1Br 236075548 LPWXJJMQVXLOHF-CQSZACIVSA-N 481.409 6.284 50 10 JKGE Cc1cccc([C@H](Cl)c2cc3c(cc2Br)OCC3)c1I 308437118 QTAWVJIRVMBPPB-HNNXBMFYSA-N 463.540 5.625 50 10 JKGE Clc1ccc(CCOc2c(Br)cc(CBr)cc2Br)cc1 308490708 QNSRGEUUGXVJLN-UHFFFAOYSA-N 483.425 6.381 50 10 JKGE C[C@@H]1C[C@H](OC2(CI)CCN(C(=O)OC(C)(C)C)CC2)CC(C)(C)C1 380746287 ZNMVASZOLNIOFA-CVEARBPZSA-N 465.416 5.423 50 10 JKGE CC(C)CCCCCC(CBr)(CBr)c1ccccc1Br 383602400 ZTRZMIUKILYDOE-UHFFFAOYSA-N 469.099 7.083 50 10 JKGE C[C@H](Cl)c1nc2cc(I)c(F)cc2n1[C@@H]1C[C@H](C)N(Cc2ccccc2)C1 398228525 VYIBOPUVHISLMG-OFQRWUPVSA-N 497.783 5.915 50 10 JKGE Cc1cc(Br)c([C@@H](Br)[C@H]2CC23CCOCC3)cc1Br 689922903 NVDGRJRXVORYLX-BXUZGUMPSA-N 453.012 5.773 50 10 JKGE Fc1ccc([C@@H](Cl)c2cc(Br)sc2Br)c(F)c1Br 691585280 HRDVNMJWWZATQL-SECBINFHSA-N 481.381 6.642 50 10 JKGE CC(F)(F)C(C)(C)COc1c(Br)cc(CBr)cc1Br 697105260 JDPVQFNXWBVJLB-UHFFFAOYSA-N 464.970 6.167 50 10 JKGE CCN(C[C@](C)(CI)OC[C@@H]1C[C@@H]1C(C)(C)C)C(=O)OC(C)(C)C 703460593 BYPRYQXYPDSMEW-DOXZYTNZSA-N 453.405 5.136 50 10 JKGE COc1cccc2c1nc([C@@H](C)Cl)n2CC1(N(Cc2ccccc2)Cc2ccccc2)COC1 705598438 BZUFKFZZYYULKR-OAQYLSRUSA-N 476.020 5.816 50 10 JKGE COc1ccc([C@@H](Br)c2ccc(C)c(Br)c2C)cc1Br 719546163 RGJPDYONFQTURD-MRXNPFEDSA-N 463.007 6.321 50 10 JKGE C[C@@]12CC[C@H]3c4ccc(O)cc4C[C@H](CCCCCCCCCBr)[C@@H]3[C@H]1CC[C@H]2O 1073235554 ILWDBZWOZQESSY-CULAQTAASA-N 477.527 7.351 50 10 JKGE COc1ccccc1/C(C#N)=C/c1cccc(OC(=O)/C=C/c2ccc(Cl)cc2Cl)c1 1615067265 RYDNCXQSCNRWPX-DHJSAQKKSA-N 450.321 6.685 50 10 JKGE Cc1c(C(=O)NCc2ccccc2Cl)oc2c1C(=NNC(=O)c1cccc(Cl)c1)CCC2 1772745848 JZZAOPLVQKQOPW-UHFFFAOYSA-N 470.356 5.295 50 10 JKGE CCCc1nn(-c2ccc(OC)cc2)c2c1[C@H](c1ccc(Cl)cc1Cl)C(C#N)=C(N)O2 1865685837 NWUHBVVUHNDVFV-HXUWFJFHSA-N 455.345 5.358 50 10 JKGE CCOc1cc([C@@H]2C(C#N)=C(N)Oc3c2c(-c2ccccc2)nn3CC)ccc1OCc1ccccc1 1865694244 RPQUJZWCLRDJAW-AREMUKBSSA-N 492.579 5.766 50 10 JKGE CCCOc1ccccc1[C@@H]1C(C#N)=C(N)Oc2c1c(C(F)(F)F)nn2-c1cccc2ccccc12 1865702434 AEWBTYPVTXPQEJ-JOCHJYFZSA-N 490.485 6.051 50 10 JKGE CCCc1nn(Cc2ccc(Cl)c(Cl)c2)c2c1[C@H](c1ccc(OC)cc1)C(C#N)=C(N)O2 1865714481 LQUUTELCBZQZGN-OAQYLSRUSA-N 469.372 5.417 50 10 JKGE CCOC(=O)c1sc(NC(=O)/C(C#N)=C/c2ccc(Br)cc2)nc1-c1ccccc1 1866129386 QOGNCBDBLRCCKJ-FOWTUZBSSA-N 482.359 5.295 50 10 JKGE N#C/C(=C\c1cccc(Br)c1)C(=O)NC[C@H](c1c(F)cccc1Cl)N1CCCC1 1866130611 CXOPVVGKEKPHCJ-MBNYPGIVSA-N 476.777 5.102 50 10 JKGE N#CSc1ccc(NC(=O)[C@@H](CSCc2ccccc2)NC(=O)CCc2ccccc2F)cc1 1866597958 VNJUYGQQMULWDG-XMMPIXPASA-N 493.629 5.388 50 10 JKGE COc1cc(/C=C(\C#N)c2ncccc2[N+](=O)[O-])ccc1OCc1ccc(Cl)cc1Cl 1872728930 BLOJHCDSUYGOCD-CXUHLZMHSA-N 456.285 5.948 50 10 JKGE COc1cc(/C=C(\C#N)c2ccccc2[N+](=O)[O-])ccc1OCC(=O)Nc1ccc(C)cc1C 1872729550 QXKBDYRMCNGGCG-DEDYPNTBSA-N 457.486 5.302 50 10 JKGE N#C/C(=C(/O)Cc1ccc(OCc2ccccc2)cc1)c1nc(-c2ccc([N+](=O)[O-])cc2)cs1 1872747266 VIHAFMCPESXPAB-BZZOAKBMSA-N 469.522 6.333 50 10 JKGE CCc1cccc(CC)c1N1C[C@H](/C(O)=C(\C#N)c2nc(-c3ccc(Cl)cc3)cs2)CC1=O 1872748311 RVYZJSFTOCHDED-FPOCJBQTSA-N 478.017 6.434 50 10 JKGE CC[C@@H](C)[C@H](/C(O)=C(\C#N)c1nc(-c2ccc(OC)c(F)c2)cs1)N1C(=O)c2ccccc2C1=O 1872752855 WGLNAOGSFWGGIC-WWZKGXQDSA-N 491.544 5.461 50 10 JKGE CC[C@@H](C)[C@@H](/C(O)=C(\C#N)c1nc(-c2c[nH]c3ccccc23)cs1)N1C(=O)c2ccccc2C1=O 1872753124 IGPKTOCXNJZQIP-GEKIGNFYSA-N 482.565 5.795 50 10 JKGE COc1cc(C)c(-c2csc(/C(C#N)=C(\O)CCCOc3ccc4ccccc4c3)n2)cc1C(C)C 1872754034 ZGBOBJJNBRINLD-SGEDCAFJSA-N 498.648 8.056 50 10 JKGE CCCCOc1ccc(/C=C(\C#N)c2nc(-c3ccc(-c4ccccc4)cc3)cs2)cc1OCC 1872782525 KOQSTOIJEWVNJB-NLRVBDNBSA-N 480.633 8.119 50 10 JKGE Brc1cc([C@H](Br)[C@H]2C[C@@H]2Br)sc1Br 1883531133 MNRCNVPTAZKUKX-VJJSXZLQSA-N 453.819 5.493 50 10 JKGE Cc1sccc1[C@@H](Br)c1ccc(OCc2ccccc2)cc1Br 1899851040 CDWQDYVFXZKWQZ-LJQANCHMSA-N 452.211 6.882 50 10 JKGE FC1(F)CC[C@@H]2[C@H]([C@H](Br)c3cc(Br)c(Br)s3)[C@@H]21 1906977687 SFTZIKCTZNGFKY-CNOPELTASA-N 450.968 6.000 50 10 JKGE O=C(c1cccc(Br)c1Br)N(Cc1ccccc1)[C@H](CCl)C1CC1 1915150799 CBZWAQSVLHEXCN-QGZVFWFLSA-N 471.620 5.871 50 10 JKGE Clc1c(Br)sc(Br)c1[C@@H](Br)[C@H]1C[C@H]2CC[C@H]1C2 1923071358 IJMYBYSSDMQSNN-AZRUVXNYSA-N 463.460 6.799 50 10 JKGE CC(C)[C@@H](C)[C@H](Br)c1c(Br)sc(Br)c1Br 1924576682 RBWCWTDSASVKKU-VDTYLAMSSA-N 483.889 6.764 50 10 JKGE CCC[C@H](CC(C)C)[C@H](Cl)c1c(Br)sc(Br)c1Br 1924604394 BCOVKHHQDGORAQ-KCJUWKMLSA-N 481.519 7.778 50 10 JKGE BrC[C@H]1CCC[C@@H](c2ccc(OCc3ccccc3)c(OCc3ccccc3)c2)O1 1989166073 GWBPWSRZTSSMEC-RPWUZVMVSA-N 467.403 6.850 50 10 JKGE CC1(C)C[C@H]([C@@H](Cl)c2c(Br)sc(Br)c2Br)CO1 1997141287 FEHJFTIBCDOYNX-YLWLKBPMSA-N 467.448 6.131 50 10 JKGE Cc1c([C@@H](Br)c2cc(Br)c(Cl)s2)nn(C)c1Br 2002831330 UXZPMNKKLHWWGY-ZETCQYMHSA-N 463.420 5.453 50 10 JKGE Cc1cc(Br)c(C)c([C@H](Br)[C@H]2C[C@H](Br)C2)c1Br 2022975246 ZOKMCGCCQXEKTN-JRKPZEMJSA-N 489.871 6.438 50 10 JKGE Cc1cc(Br)c([C@@H](Br)c2nn(C)cc2Cl)cc1Br 2033324431 ZPNXAWYLSXCFTJ-LLVKDONJSA-N 457.391 5.391 50 10 JKGE Brc1sc([C@H](Br)c2ccccc2I)cc1C1CC1 2033642566 KGVHNHPNCZDLNL-CYBMUJFWSA-N 498.021 6.477 50 10 JKGE CN(Cc1cnn(Cc2ccccc2)c1)c1c(CBr)ccc(Br)c1Cl 2036846430 BJWFFXVLZNPRBJ-UHFFFAOYSA-N 483.635 5.879 50 10 JKGE C[C@]1(C(F)(F)F)C[C@H]1[C@H](Br)c1cc(Br)ccc1Br 2043563331 XNQWXGPKNGRMFB-GDPRMGEGSA-N 450.918 6.236 50 10 JKGE FC1(F)CCCCC[C@H]1[C@@H](Br)c1cc(Br)sc1Br 2046373214 JPUUKAMYFJXLSL-WPRPVWTQSA-N 467.011 6.925 50 10 JKGE N#CC(=CNc1ccc(Oc2ncc(C(F)(F)F)cc2Cl)cc1)S(=O)(=O)c1ccccc1 2053556474 SFEFHCXAHWISLZ-UHFFFAOYSA-N 479.867 5.797 50 10 JKGE CN([C@H](c1ccccc1)c1ccccc1P(c1ccccc1)c1ccccc1)[S@@](=O)C(C)(C)C 2080762973 YCLRTNBFAFWZQH-SJHOIFEDSA-N 485.633 5.928 50 10 JKGE FC1(F)C[C@]1(Br)COc1c(Br)cc(Cl)cc1CBr 2082492978 LILKBFWRQCJGBZ-JTQLQIEISA-N 469.345 5.549 50 10 JKGE Cc1sc(Br)c([C@H](Cl)c2cccc(F)c2I)c1C 2082879170 RAOFCQKBPFSCOF-LLVKDONJSA-N 459.549 6.199 50 10 JKGE Cc1sc(Br)c([C@@H](Br)c2cc(F)ccc2Br)c1C 2082886224 VHVLFACTOUIILK-LBPRGKRZSA-N 457.000 6.513 50 10 JKGE O=C(N[C@@H]1CCCC[C@@H]1CCBr)c1csc(Br)c1Br 2093942567 VJNSWBKAXIWGOO-PSASIEDQSA-N 474.056 5.347 50 10 JKGE Clc1ccc([C@@H](CBr)Cc2c(Br)cccc2Br)cc1 2094096613 ZIJMLBJQTPFOLP-LLVKDONJSA-N 467.426 6.586 50 10 JKGE CCCc1nc(C[C@H](Br)c2ccc(Br)cc2)c(Br)[nH]1 2113489274 NDQCZLKPTPPUTG-NSHDSACASA-N 451.000 5.566 50 10 JKGE CO[C@H]1C[C@@H]([C@H](Br)c2cc(Br)ccc2Br)C[C@H]1OC 2118265894 CVZZBNDHGLCGGB-ISTUKMMPSA-N 457.000 5.088 50 10 JKGE CC12CCC([C@H](Br)c3c(Br)sc(Br)c3Cl)(CC1)CO2 2133547414 HKBFTZAPORHKJJ-UHEGKEBESA-N 493.486 6.712 50 10 JKGE COc1cc(F)c([C@@H](Br)c2cc(C)sc2Br)cc1Br 2138148518 PDXYHXAEHUCMGE-GFCCVEGCSA-N 472.999 6.214 50 10 JKGE ClCc1nc2ccc(Br)cc2n1Cc1scc(Br)c1Br 2150564447 UGPIGLAZABPARD-UHFFFAOYSA-N 499.453 6.172 50 10 JKGE Cc1cc(Br)c(C)c([C@H](Br)[C@@]23CC[C@@H](C2)[C@@H](C)O3)c1Br 2201072224 UOYOWCOSKJZOLM-LZJQFABFSA-N 467.039 6.222 50 10 JKGE Cc1cc(Br)c(C)c([C@@H](Br)C2(C(C)(F)F)CCC2)c1Br 2201073589 MXLYFFNJHPRRLR-CYBMUJFWSA-N 475.009 7.090 50 10 JKGE COc1c(Br)cc(C)cc1[C@@H](Br)c1c(F)cccc1Br 2203830264 OASMFMDIWCEWFD-CQSZACIVSA-N 466.970 6.152 50 10 JKGE Clc1cc(Cl)cc(C[C@@H](Br)c2sccc2I)c1 2217393842 CPZDVMOXNMJMDL-SNVBAGLBSA-N 461.977 6.338 50 10 JKGE Cc1sc(Br)c(C)c1[C@@H](Br)c1ccc(F)c(Br)c1 2218801894 ZNDMBUIZDBUTAF-LBPRGKRZSA-N 457.000 6.513 50 10 JKGE C[C@H](CC(F)(F)F)[C@H](Br)c1c(Br)cc(Cl)c(Cl)c1Cl 2224311527 MIJSDAYLADSFAM-VHWMUFPASA-N 463.346 7.434 50 10 JKGE Cc1cc(Br)c([C@@H](Cl)c2ccc(OCc3ccccc3)cc2)c(C)c1Cl 2224322521 PNDLRBDIAFUKML-QFIPXVFZSA-N 450.203 7.627 50 10 JKGE CC1(C)CCCC[C@@H]1[C@H](Br)c1cc(Br)c(Br)cc1F 2225617281 NPAQZPVCJGSYJJ-QMTHXVAHSA-N 457.019 7.003 50 10 JKGE CC[C@@H]([C@@H](Br)c1c(Br)cc(C)c(Br)c1C)C(C)(F)F 2227351134 JYWFTVYFZRVGOI-TVQRCGJNSA-N 462.998 6.946 50 10 JKGE Cc1ccc([C@H](Cl)c2c(Br)sc(Br)c2Cl)c(F)c1F 2231141440 ZQNOGOMAXSEGLM-ZETCQYMHSA-N 450.957 6.841 50 10 JKGE COC12CCC([C@@H](Br)c3ccc(Br)cc3Br)(CC1)C2 2231608773 QRBUHXVZHGQICH-NFOMZHRRSA-N 453.012 5.997 50 10 JKGE Cc1cc(Br)c([C@H](Cl)Cc2ccccc2I)c(C)c1Cl 2232508815 HJFWKGNRLPIQLK-CYBMUJFWSA-N 484.002 6.847 50 10 JKGE C[C@@H]1C[C@@H]2C[C@@H]2C[C@@H]1[C@@H](Br)c1c(Br)cc(Cl)c(Cl)c1Cl 2232520398 OMAMVAPKPBKKAG-ZYCKWHBGSA-N 461.452 7.528 50 10 JKGE FC1(F)[C@H]2CCC[C@H]1CC([C@H](Br)c1sc(Br)cc1Br)C2 2233642552 NVTRHOXRGUZPPE-AUTRQRHGSA-N 493.049 7.171 50 10 JKGE COc1cc(F)ccc1[C@H](Br)c1cc(Br)c(C)cc1Br 2233991449 CPARYGZGLKWZCI-HNNXBMFYSA-N 466.970 6.152 50 10 JKGE Cc1cc(Br)c([C@H](Br)C2(C)C(C)(C)C2(C)C)c(C)c1Br 2235616093 YCGKCRVHMUKHJA-AWEZNQCLSA-N 467.083 7.337 50 10 JKGE COc1cc(F)c(F)cc1[C@H](Br)c1cc(C)ccc1I 2240998131 XSAFSEUHISMFKK-OAHLLOKOSA-N 453.064 5.371 50 10 JKGE Cc1oc(Br)cc1[C@H](Br)c1cc2sc(Br)cc2s1 2263629969 HRNBKIOPUCBFJQ-LBPRGKRZSA-N 471.033 6.874 50 10 JKGE CN(Cc1ccc(I)cc1)c1ccc(Cl)cc1CBr 2265606289 ZGFCHAGVKOZUIX-UHFFFAOYSA-N 450.545 5.476 50 10 JKGE COc1c([C@H](Cl)c2cc(I)sn2)cc(Br)c(C)c1C 2269165294 XCVUINDZYZTAPL-LBPRGKRZSA-N 472.573 5.464 50 10 JKGE C=CC[C@@]1(CBr)CCN(C(=O)c2cc(Br)c(Br)s2)C1 2272180191 VSPKSUQPRHXTSR-ZDUSSCGKSA-N 472.040 5.076 50 10 JKGE Cc1c(Br)ccc([C@@H](Br)C2CC3(CC(C)C3)C2)c1Br 2272232944 XLBYAAVQEWICOW-JLWJMNFPSA-N 451.040 6.782 50 10 JKGE CC(C)(C)CCN(CCBr)Cc1cc(Cl)ccc1I 2274240560 XILRDMBSRBLTGX-UHFFFAOYSA-N 458.609 5.578 50 10 JKGE Brc1cc(Br)cc(C[C@H](Br)c2csc3cncn23)c1 2277952939 LQDVVRHZDZMDPK-NSHDSACASA-N 465.008 5.600 50 10 JKGE COc1c([C@H](Br)c2ccc(Br)cc2)cc(Br)c(C)c1C 2284592005 SVIPFPNJGBJWMM-OAHLLOKOSA-N 463.007 6.321 50 10 JKGE C[C@@H](Br)CN(CC(C)(C)C)C(=O)c1ccc(I)c(Cl)c1 2288063720 ZRHZYUMJQGQZQX-SNVBAGLBSA-N 472.592 5.216 50 10 JKGE CCOC1CC(C[C@H](Br)c2c(F)cc(Br)c(F)c2Br)C1 2288376885 RANRUVDFDWTGRY-HACHORDNSA-N 476.981 6.131 50 10 JKGE COc1c(Br)cc(Cl)c(C)c1[C@@H](Cl)c1ccc(OCc2ccccc2)cc1 2295282412 AQGQOGHILBNCHL-NRFANRHFSA-N 466.202 7.327 50 10 JKGE CC(C)(C)c1nc([C@@H](Br)Cc2cc(Br)cc(Br)c2)cs1 2295329361 HMFVZRYDFSHQQK-LBPRGKRZSA-N 482.079 6.644 50 10 JKGE FC1(F)[C@@H]2CC[C@H]([C@@H](Br)Cc3cc(Br)cc(Br)c3)C[C@H]21 2295343210 SPDALLVMNQZGQZ-VKKKGTNTSA-N 472.993 6.199 50 10 JKGE N#CC(=Cc1ccc(OCc2ccc(Cl)cc2)cc1)C(=O)Nc1cc(Cl)cc(Cl)c1 2295459601 FBWQXBDRPMUVGA-UHFFFAOYSA-N 457.744 6.771 50 10 JKGE N#CC(=CNc1ccc(S(=O)(=O)Nc2nccs2)cc1)c1nc(-c2cccs2)cs1 2296050402 LNWNOHUKNGCSGE-UHFFFAOYSA-N 471.614 5.105 50 10 JKGE Cc1ccc(C[C@H]2SC(=C(C#N)C(=O)Nc3ccccc3C)N(c3ccccc3)C2=O)cc1 2296507132 USIGMUACXOJNFX-XMMPIXPASA-N 453.567 5.368 50 10 JKGE Cc1cccn2c(=O)c(C=C(C#N)c3nc4ccccc4[nH]3)c(Oc3ccc(C(C)(C)C)cc3)nc12 2296719460 XDRWLFLHFPQTNA-UHFFFAOYSA-N 475.552 6.033 50 10 JKGE CCOC(=O)c1c(NC(=O)C(C#N)=Cc2ccc([C@@H]3C[C@H]3c3ccccc3)o2)sc2c1CCCC2 2296835654 JRDZYPFABDSMFB-FCHUYYIVSA-N 486.593 6.213 50 10 JKGE COc1ccc2nc(C(C#N)=Cc3cc(Cl)c(OCc4ccc([N+](=O)[O-])cc4)c(Cl)c3)[nH]c2c1 2297376024 FHTIMUIYMGYOAZ-UHFFFAOYSA-N 495.322 6.430 50 10 JKGE Brc1ccc(OCc2ccccc2)c([C@H](Br)C[C@@H]2C[C@H]3C[C@H]3C2)c1 2299505434 WVNVHKQLYDPMHB-AXVVYFOYSA-N 450.214 6.900 50 10 JKGE Fc1c(Br)cc(Cl)c([C@H](Br)CC2COC2)c1Br 2300164286 ATKVAAOYDWUTHA-ZCFIWIBFSA-N 451.355 5.477 50 10 JKGE Cc1ccc([C@H](Br)c2sc(Cl)cc2I)c(Cl)c1 2300952970 CVMLHGMXYSKVTB-NSHDSACASA-N 461.977 6.452 50 10 JKGE N#CC(=Cc1ccc(-c2cccc(Cl)c2Cl)o1)C(=O)Nc1cccc(Cl)c1Cl 2313571522 YGFIMAMZIROBQP-UHFFFAOYSA-N 452.124 7.106 50 10 JKGE CCc1ccc(N2C(=O)[C@H](Cc3ccccc3F)SC2=C(C#N)C(=O)N[C@H](C)c2ccccc2)cc1 2314593151 IHNIYADEBSZMPF-BCHFMIIMSA-N 499.611 5.692 50 10 JKGE Fc1c(Br)cc(Cl)c([C@H](Br)[C@H]2CCCCO2)c1Br 2315449552 QPWISUYEVYCKRD-PSASIEDQSA-N 465.382 6.009 50 10 JKGE CC(C)[C@H](Br)C(C)(C)NC(=O)c1cc(Br)sc1Br 2318051612 AUSSTDHAADQOML-VIFPVBQESA-N 462.045 5.201 50 10 JKGE COc1ccc(C(C#N)=Cc2ccc(OC(=O)CC(c3ccccc3)c3ccccc3)cc2)cc1OC 2318356226 BEYFISXAWJOMOK-UHFFFAOYSA-N 489.571 6.896 50 10 JKGE N#CC(=CNc1cc(C(F)(F)F)cc(C(F)(F)F)c1)C(=O)N1CCN(c2ccc(F)cc2)CC1 2318463114 WWQJZXNPXBOTAW-UHFFFAOYSA-N 486.391 5.031 50 10 JKGE COCc1ccc([C@@H](Br)c2c(Br)sc(Br)c2Cl)s1 2319550778 YHGXIPPBKQRWHE-MRVPVSSYSA-N 495.483 6.619 50 10 JKGE Cc1nc(-c2ccc(Cl)cc2Cl)ccc1C(=O)NN=Cc1ccc(F)c(Br)c1 2321242201 OKRJCLIHSRGNQH-UHFFFAOYSA-N 481.152 6.029 50 10 JKGE ClCc1c(Oc2cc(Br)cc(I)c2)ccnc1Cl 2321489434 HBTOSNIJQDSHGS-UHFFFAOYSA-N 458.908 5.633 50 10 JKGE COc1ccc(CNC(=O)C(C#N)=CNc2ccc(-c3nc4ccc(C)cc4s3)cc2)cc1 2324844680 PSKPDGAGSHCTOD-UHFFFAOYSA-N 454.555 5.416 50 10 JKGE Cc1ccccc1COc1ccc(C=NNC(=O)CCCCCNC(=O)OC(C)(C)C)cc1 2328835202 FEMFWTMIWIIYRH-UHFFFAOYSA-N 453.583 5.109 50 10 JKGE N#CC(=C(O)C=Cc1ccc(OCc2ccccc2)cc1)c1nc(-c2ccc3c(c2)CCCC3)cs1 2331239800 BDWADJGBPOBMDE-UHFFFAOYSA-N 490.628 7.774 50 10 JKGE CC(C)(C)c1ccc(OCCCC(O)=C(C#N)c2nc(-c3ccccc3)cs2)c(Br)c1 2331304034 ICVOPLNSFJDUGG-UHFFFAOYSA-N 497.458 7.522 50 10 JKGE CCCOc1ccc(-c2csc(C(C#N)=C(O)c3cc([N+](=O)[O-])cc([N+](=O)[O-])c3)n2)cc1 2331318626 IMSQONSVOHWORQ-UHFFFAOYSA-N 452.448 5.365 50 10 JKGE CCOc1ccc(OCC)c(-c2csc(C(C#N)=C(O)C=Cc3ccc([N+](=O)[O-])cc3)n2)c1 2331376660 DQYAYOVLTCIANR-UHFFFAOYSA-N 463.515 6.022 50 10 JKGE COc1cc(-c2csc(C(C#N)=C(O)Cc3ccc(Cl)c(Cl)c3)n2)c(OC)cc1Cl 2331377163 RQFSSNKBJJCHNC-UHFFFAOYSA-N 481.788 6.823 50 10 JKGE COc1ccc(-c2csc(C(C#N)=C(O)C=Cc3cccc([N+](=O)[O-])c3)n2)c2ccccc12 2331406545 YKQPUERDGABVEZ-UHFFFAOYSA-N 455.495 6.386 50 10 JKGE CCCCCOc1ccc(C=C(C#N)c2nc(-c3cccc(Br)c3)cs2)cc1OC 2331432001 JZZBQELWAPWGDZ-UHFFFAOYSA-N 483.431 7.214 50 10 JKGE COc1ccc(-c2csc(C(C#N)=Cc3cc(Br)cc(OC)c3O)n2)cc1F 2331455820 QPLJRWOLNDIKAU-UHFFFAOYSA-N 461.312 5.499 50 10 JKGE COc1cccc(C=C(C#N)c2nc(-c3cc(C)cc(C)c3OC)cs2)c1OCc1cccc(C)c1 2331469899 ICSDKSZUCRKWEN-UHFFFAOYSA-N 496.632 7.396 50 10 JKGE Cc1ccccc1P(O[C@H](c1ccccc1)[C@@H](C)NC(=O)Nc1ccccc1)c1ccccc1C 2333285546 DUAQCUMHKBUVOE-GIGWZHCTSA-N 482.564 6.619 50 10 JKGE Cc1cc(I)c(Oc2cc(CCl)c(Br)cn2)cc1Cl 2336554914 YHVVQHISDXVHFP-UHFFFAOYSA-N 472.935 5.942 50 10 JKGE Clc1ccc(CN2[C@H]3CCC[C@H]3C[C@@H]2CBr)cc1I 2337228494 XOKFMDYETDGCSV-ZOWXZIJZSA-N 454.577 5.083 50 10 JKGE ClCc1cccc(Br)c1OCc1ccc(Cl)cc1I 2341027061 GWQVQGUVVLXRNV-UHFFFAOYSA-N 471.947 6.025 50 10 JKGE CCOc1ccc([C@H](Br)c2scc(Br)c2Br)c(F)c1 2341728674 CCBXWHQUGRJOLJ-NSHDSACASA-N 472.999 6.295 50 10 JKGE C[C@H](Cc1ccc(I)c(Br)c1)[C@@H](Br)c1ccccc1 2349777773 DOGDOARPNNOTQQ-BDJLRTHQSA-N 494.008 6.369 50 10 JKGE CC(C)[C@@H]1CCC[C@H]1[C@@H](Br)c1c(Cl)cc(Br)c(F)c1Br 2362228183 MRIOZROWXWJADN-IGJMFERPSA-N 491.464 7.512 50 10 JKGE FCC12CC([C@H](Br)c3c(Cl)cc(Br)c(F)c3Br)(CO1)C2 2362246506 AMVRMFYXYVDJHT-PNESKVBLSA-N 495.383 5.959 50 10 JKGE Clc1cc(C[C@@]2(CBr)C[C@H]3C=C[C@H]2CCC3)ccc1I 2363956597 CKEVWKFMBPSLHW-SUYBPPKGSA-N 465.600 6.245 50 10 JKGE COc1c(Br)cc(C)c([C@H](Br)C23CC(C2)[C@H](C)O3)c1Br 2365217831 HVIBROQOEMFURE-LYDZOCHNSA-N 469.011 5.532 50 10 JKGE CC(C)(C)[C@@H]1CC[C@@H]1COc1c(Br)cc(Br)cc1CBr 2369286263 FPCUJMQYKJWJMU-ZWNOBZJWSA-N 469.055 6.558 50 10 JKGE COc1cccc(OCc2ccc(I)c(Br)c2)c1CCl 2377286096 JMCFMVOUMHUONC-UHFFFAOYSA-N 467.528 5.380 50 10 JKGE C/C(=N\NC(=O)[C@@H]1C[C@@H]1c1ccc(C(C)(C)C)cc1)c1cccc(NC(=O)c2cccc(F)c2)c1 20157905 WQTXVJPUASVZAC-NWXUMACRSA-N 471.576 6.019 50 10 JKGE CSc1cccc(N/C(SCc2ccc(Cl)cc2)=C(/C#N)S(=O)(=O)c2ccccc2)c1 20325565 GEDOIBCRECVWFM-GHVJWSGMSA-N 487.071 6.574 50 10 JKGE CCCOc1ccc(-c2nn(-c3ccccc3)cc2/C=C(\C#N)C(=O)NC2CCCCC2)c(C)c1 34772062 AQVVAYNHFVSPHX-RELWKKBWSA-N 468.601 5.992 50 10 JKGE N#C/C(C(=O)Nc1ccc(Cl)cc1)=C1\S[C@H](Cc2ccccc2)C(=O)N1c1ccc(Cl)cc1 34896508 FVDFSJBWUVLYMJ-FNBPXTNNSA-N 494.403 6.058 50 10 JKGE N#CC1=C(N)Oc2cc(OC(=O)COc3ccccc3Cl)ccc2[C@H]1c1ccccc1Cl 38651027 HDLDNVBRNATFJS-HSZRJFAPSA-N 467.308 5.196 50 10 JKGE CC(C)c1ccc(O[C@@H](C)C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@@H]3c2cccc([N+](=O)[O-])c2)cc1 38654159 IOUBGIXQSCVUJJ-MRDQGFSESA-N 499.523 5.309 50 10 JKGE CCOc1cccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)[C@@H](C)Oc4ccc(C(C)C)cc4)ccc32)c1 40530194 IYNBSVHPTJNGGF-GDJIYFAZSA-N 498.579 5.800 50 10 JKGE Cc1c(C(=O)Nc2ccc(Cl)c(Cl)c2)oc2c1/C(=N/NC(=O)c1cccc(Cl)c1)CCC2 40813306 HMDJGJNREMGRQB-MTDXEUNCSA-N 490.774 6.271 50 10 JKGE Cc1cccc(NC(=O)c2oc3c(c2C)/C(=N/NC(=O)c2cccc4ccccc24)CCC3)n1 40813630 WFDYLRLKHLJJEN-MWAVMZGNSA-N 452.514 5.167 50 10 JKGE O=C(CC[C@H](O)c1ccccc1)N/N=C\c1cc(Cl)c(OCc2ccc(Cl)cc2)c(Cl)c1 58889407 CWKBBELVOADPMX-OADPBGPJSA-N 491.802 6.190 50 10 JKGE C=CCc1cc(/C=N\NC(=O)CC[C@H](O)c2ccccc2)cc(OC)c1OCc1ccc(F)cc1 58892060 XXORKRAMLRTQNL-NYFJFQCHSA-N 476.548 5.106 50 10 JKGE Cc1ccc(COc2ccc(/C=N/NC(=O)c3ccc(-n4c(C)ccc4-c4ccccc4)cc3)cc2)cc1 59303608 CAHHGBKBVFZSDS-PPOKSSTKSA-N 499.614 7.104 50 10 JKGE Cc1cc([C@H](Br)c2ccc(Br)cc2F)c(C)cc1Br 70472148 QXUPWNUNRSXOFG-OAHLLOKOSA-N 450.971 6.452 50 10 JKGE CCCCCCCCCCCCCC(=O)NNC(=O)c1ccc(NC(=O)CCCCC)cc1 100953085 XVFLNSBNLGJERK-UHFFFAOYSA-N 459.675 6.668 50 10 JKGE biogenic CC1=C(C#N)C(=O)N(C2CCCCC2)C(=O)/C1=C/c1ccc(-c2cc(Cl)ccc2Cl)o1 101339044 YNAVUZSMBDXTRI-LDADJPATSA-N 455.341 6.178 50 10 JKGE COc1ccc(-c2csc(/C(C#N)=C\Nc3ccc(Oc4ccccc4)cc3)n2)cc1OC 102937592 XMZVGFBIAYRKAM-MNDPQUGUSA-N 455.539 6.596 50 10 JKGE Clc1ccc(Br)cc1[C@@H](Cl)c1cc(Br)sc1Br 109825129 HVBDTDQGOAQXPT-SNVBAGLBSA-N 479.846 7.017 50 10 JKGE Clc1cc([C@@H](Br)c2ccccc2I)sc1Br 127517087 DSRGTZFRLXVTDC-JTQLQIEISA-N 492.401 6.253 50 10 JKGE Cc1cc(Br)c([C@H](Br)c2ccccc2Br)cc1Br 128745968 IYCYEXIPJSZIIS-CQSZACIVSA-N 497.850 6.767 50 10 JKGE Cc1cc(Br)c([C@@H](Br)c2cc(Cl)ccc2Cl)cc1Br 128764650 VCFIBTDGIPRROD-CQSZACIVSA-N 487.844 7.311 50 10 JKGE COc1cc(Cl)c([C@H](Br)c2cc(Br)ccc2Cl)cc1Cl 164524398 REHBXNFPSZWROS-CQSZACIVSA-N 459.392 6.902 50 10 JKGE Clc1cccc(C(CBr)(CBr)Cc2cncc(Br)c2)c1 169004607 JDVFLUOXCRXVIU-UHFFFAOYSA-N 482.441 5.768 50 10 JKGE CC1(C)C[C@H](NC(=O)NCCc2c[nH]c3cc(OCc4ccccc4)ccc23)C[C@](C)(CN=C=O)C1 170291091 FRJLOUGTXPQCNA-IADCTJSHSA-N 488.632 5.509 50 10 JKGE Clc1ccc(CBr)c(Oc2ccc(Br)cc2Br)c1 218320908 NFXWJSFRJKJAIY-UHFFFAOYSA-N 455.371 6.552 50 10 JKGE COc1ccc([C@@H](Br)c2cc(Br)c(Cl)s2)cc1Br 227845887 KTGRMMVRTUUFGU-LLVKDONJSA-N 475.427 6.419 50 10 JKGE Cc1cccc([C@H](Cl)c2cc(Br)sc2Br)c1Br 235904220 CALJADDAIIYFMR-NSHDSACASA-N 459.428 6.672 50 10 JKGE Clc1cc2c(c([C@@H](Cl)c3cc(Br)ccc3I)c1)OCC2 236031020 VAUDSXSEAFGWSX-AWEZNQCLSA-N 483.958 5.970 50 10 JKGE C[C@@H]1O[C@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@H]1O[Si](C)(C)C 252008931 QQOFWFOBJUGLLJ-NNPSNHGLSA-N 452.889 5.243 50 10 JKGE CC[C@@H]1CCC[C@@H](O[C@](C)(CI)c2ccccc2Br)C1 253130004 NXAIQKLSUHQCFK-CKEIUWERSA-N 451.186 6.085 50 10 JKGE Cc1ccc(C(C)C)c(OCC(=O)NN=Cc2sc(N3CCCCC3)nc2-c2cccs2)c1 254348397 CVEHMSRHVJDABH-UHFFFAOYSA-N 482.675 5.823 50 10 JKGE CCc1ccc(O[C@@H](C)C(=O)NN=Cc2ccc(OCc3ccc(Cl)cc3)c(OC)c2)cc1 256018569 RYUGGJIKHUJBML-SFHVURJKSA-N 466.965 5.408 50 10 JKGE CCOc1ccc(C(=O)Oc2ccc3ccccc3c2C=NNC(=O)COc2ccc(C)cc2)cc1 263627839 UXCMMPUKZWOOPQ-UHFFFAOYSA-N 482.536 5.295 50 10 JKGE Cc1cccc([C@@H](Cl)c2cc(Br)sc2Br)c1Br 300465516 CALJADDAIIYFMR-LLVKDONJSA-N 459.428 6.672 50 10 JKGE ClCc1nc2cc(Br)cnc2n1-c1cc(I)ccc1Cl 312462969 SXDVQNYIEGCVJZ-UHFFFAOYSA-N 482.934 5.180 50 10 JKGE Cc1cc(Cl)ccc1[C@@H](Br)c1cc(I)cc2c1OCC2 383257644 YONQBUUKJNRTAW-OAHLLOKOSA-N 463.540 5.672 50 10 JKGE Cc1cc(C)c([C@H](Br)Cc2ccc(Br)cc2)c(C)c1Br 383570672 ZMLWNIHKIDYVNL-OAHLLOKOSA-N 461.035 6.816 50 10 JKGE C[C@@H](Cl)c1nc2cc(Cl)c(F)cc2n1CCCN(Cc1ccccc1)Cc1ccccc1 390473152 HYWNQABHQOOANA-LJQANCHMSA-N 470.419 7.221 50 10 JKGE Brc1cc([C@@H](Br)c2csc3c2CCCC3)c(Br)s1 399841042 SWUXXHACWIMBKL-GFCCVEGCSA-N 471.077 6.698 50 10 JKGE 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 503996375 QGDQJFKTMDHPQG-AOXNLXKYSA-N 491.200 9.245 50 10 JKGE CC(C)(C)[Si](C)(C)OCCc1ccccc1[C@H]1CCN(S(=O)(=O)c2ccccc2)CCO1 616592380 DAHNVGQDCVXWQG-XMMPIXPASA-N 475.727 5.403 50 10 JKGE CC(C)(C)[Si](C)(C)OCCc1ccccc1[C@@H]1CCCCN1S(=O)(=O)c1ccccc1 616615640 DMAAXAYJDOEJBL-DEOSSOPVSA-N 459.728 6.167 50 10 JKGE CC(C)(C)OC(=O)N1C[C@@H](c2ccccc2CCO[Si](C)(C)C(C)(C)C)Cc2ccccc21 616668928 IOCKDCOLCLGHRC-QHCPKHFHSA-N 467.726 7.332 50 10 JKGE Fc1ccc2nc(CCl)n(CC3(CCOCc4ccccc4)CC3)c2c1Br 702199862 LPPYTQZCDODHBJ-UHFFFAOYSA-N 451.767 6.064 50 10 JKGE Cc1cc(F)cc(C)c1[C@@H](Br)c1scc(Br)c1Br 705428667 VICAXGNCQXZCBP-GFCCVEGCSA-N 457.000 6.513 50 10 JKGE C=CCc1cc(/C=C(\C#N)C(=O)Nc2ccc(C)cc2)cc(OCC)c1OCc1ccccc1 1083885857 UYQZMZZCZWADTJ-KOEQRZSOSA-N 452.554 6.247 50 10 JKGE N#C/C(=C/c1ccc(OCc2c(Cl)cccc2Cl)cc1)C(=O)Nc1ccc(Cl)c(Cl)c1 1084025917 AHJVJLXJLTWQIW-GDNBJRDFSA-N 492.189 7.425 50 10 JKGE CC(C)(C)c1ccc(C(=O)Nc2ccc(C(=O)NN=Cc3ccc(Br)cc3)cc2)cc1 1084427206 MUUUWLCFPYUDJZ-UHFFFAOYSA-N 478.390 5.763 50 10 JKGE Cc1ccc(-n2c(C)cc(C=NNC(=O)C(=O)Nc3ccc(OCc4ccccc4)cc3)c2C)cc1 1084637584 NOPBNSZWEYXLJM-UHFFFAOYSA-N 480.568 5.070 50 10 JKGE O=P(c1ccccc1)(c1ccccc1)[C@@H](Nc1ccc(Br)c(Cl)c1)c1cccnc1 1088727130 NWOBDVIUQCSVPJ-XMMPIXPASA-N 497.760 6.622 50 10 JKGE CCc1ccc(OC(=O)c2oc3c(c2C)C(=NNC(=O)c2ccc(-c4ccccc4)cc2)CCC3)cc1 1772747486 PBHSDUAPKJJIMA-UHFFFAOYSA-N 492.575 6.507 50 10 JKGE CCCc1nn(-c2ccc(Cl)c(Cl)c2)c2c1[C@H](c1ccc(N(C)C)cc1)C(C#N)=C(N)O2 1865683063 FDJJYWYIQALDHG-OAQYLSRUSA-N 468.388 5.416 50 10 JKGE Cc1nn(Cc2ccc(Cl)c(Cl)c2)c2c1[C@@H](c1ccc(C(C)(C)C)cc1)C(C#N)=C(N)O2 1865683639 GTIVSZAYLRNBOL-QFIPXVFZSA-N 467.400 6.062 50 10 JKGE COc1ccc(OC)c([C@@H]2C(C#N)=C(N)Oc3c2c(C(F)(F)F)nn3-c2cccc3ccccc23)c1 1865691975 GPHHLFHACXWWDM-OAQYLSRUSA-N 492.457 5.280 50 10 JKGE CCN(Cc1ccccc1)c1ccc([C@@H]2C(C#N)=C(N)Oc3c2c(-c2ccccc2)nn3C)cc1 1865707244 RSTIKUKJGYKVNW-RUZDIDTESA-N 461.569 5.332 50 10 JKGE CCc1ccc([C@@H]2C(C#N)=C(N)Oc3c2c(-c2ccccc2)nn3-c2ccc(Cl)cc2)cc1 1865709610 YHZPUZPDKLPNHD-HSZRJFAPSA-N 452.945 5.973 50 10 JKGE N#CSc1ccc(NC(=O)[C@H](Cc2ccc(F)cc2)NC(=O)[C@H]2C[C@@H]2c2ccc(F)cc2)cc1 1866936810 PGWNJFAFOKPCEN-SGNDLWITSA-N 477.536 5.008 50 10 JKGE N#CSc1ccc(NC(=O)[C@H](CSCc2ccccc2)NC(=O)[C@H]2C[C@@H]2c2ccccc2)cc1 1867053770 PSBDXDZBYGTTGG-DSITVLBTSA-N 487.650 5.420 50 10 JKGE COc1cccc(/C=C(\C#N)c2ccc(C(=O)OC(C)C)o2)c1OCc1c(Cl)cccc1Cl 1872728676 NPSOYYXCCOZRKF-SFQUDFHCSA-N 486.351 6.803 50 10 JKGE C[C@H](c1ccccc1)N1C[C@@H](/C(O)=C(\C#N)c2nc(-c3ccc(F)c(F)c3)cs2)CC1=O 1872751557 NDFQZIUEIQWBCE-DYIYDVSVSA-N 451.498 5.491 50 10 JKGE COc1ccc(C(C)(C)C)cc1-c1csc(/C(C#N)=C/c2cc(OC)c(OC)c(OC)c2)n1 1872793199 NABLOEGNMUKYJF-LICLKQGHSA-N 464.587 6.206 50 10 JKGE C[C@@H](CBr)N(Cc1ccccc1)c1ncc(Br)cc1C(F)(F)F 1914347525 FXUDLTDMXYOLNX-NSHDSACASA-N 452.112 5.653 50 10 JKGE BrCc1ccc(Br)cc1N(Cc1ccccc1)Cc1cccs1 1914878713 JAFVCNAFWFZQRP-UHFFFAOYSA-N 451.227 6.612 50 10 JKGE CC[C@H](Cl)CN(Cc1ccccc1)C(=O)c1cc(Cl)ccc1I 1915114560 QKDNLJXEWSQNCM-AWEZNQCLSA-N 462.158 5.604 50 10 JKGE COc1ccc(C(=O)N(Cc2ccccc2)C2(CBr)CCC2)cc1Br 1915741845 PQRFERGAVJUQAF-UHFFFAOYSA-N 467.201 5.418 50 10 JKGE O=C(c1cc(Br)cc(Br)c1)N(Cc1ccccc1)C1(CCl)CCC1 1915768816 UHRZFFMHZTZZPI-UHFFFAOYSA-N 471.620 6.016 50 10 JKGE Cc1c(Br)sc([C@H](Br)[C@H]2CCOc3ccccc32)c1Br 1922879921 AMBSQWFRGPDUNF-GXFFZTMASA-N 481.047 6.584 50 10 JKGE Cc1c(Br)sc([C@@H](Br)c2ccccc2C(C)C)c1Br 1922920156 DAVWNYLTMFJDGL-ZDUSSCGKSA-N 467.064 7.189 50 10 JKGE Cc1c(Br)sc([C@@H](Br)[C@H]2CCCCC2(C)C)c1Br 1922953726 HAXPYKPWLMPPAZ-KOLCDFICSA-N 459.085 7.234 50 10 JKGE CC1(C)CCCC[C@H]1[C@@H](Br)c1c(Br)sc(Br)c1Cl 1923037913 GPFVPCMZICIDKN-IONNQARKSA-N 479.503 7.579 50 10 JKGE CCC(F)(F)C[C@H](Br)c1c(Br)sc(Br)c1Cl 1923041140 YXQLIMRQBACHNM-BYPYZUCNSA-N 461.391 6.798 50 10 JKGE CC[C@H]1CC[C@H]([C@@H](Br)c2c(Br)sc(Br)c2Cl)CC1 1923048604 HTWQGTPNABWMEL-NQMVMOMDSA-N 479.503 7.579 50 10 JKGE Clc1c(Br)sc(Br)c1[C@@H](Br)[C@@H]1CCCOCC1 1923068895 YFXAAKKCSQSXSS-SVRRBLITSA-N 467.448 6.179 50 10 JKGE BrCc1ccc(N2CCCN(Cc3ccccc3)CCC2)c(Br)c1 1947190948 RCTVKAKHRZUJDI-UHFFFAOYSA-N 452.234 5.446 50 10 JKGE Clc1c(Br)sc(Br)c1[C@H](Br)C1(Br)CC1 1956592472 BNLROHIFTWBQMI-YFKPBYRVSA-N 488.264 6.290 50 10 JKGE CCN[C@H](c1c(Br)sc(Br)c1Br)[C@@H]1C[C@@H]1Cl 1991683794 WVXQZURGKDCRDK-FOHZUACHSA-N 452.437 5.314 50 10 JKGE CC(C)(C)c1ccc([C@H](Br)c2csc(Br)c2Br)s1 2032959099 UFHSGFUSORCPCE-SNVBAGLBSA-N 473.093 7.116 50 10 JKGE Cc1cc(Cl)c([C@H](Br)c2csc(Br)c2Br)cc1C 2032959217 WZVVNJBBEBXSBQ-NSHDSACASA-N 473.455 7.028 50 10 JKGE CN(Cc1sccc1Br)c1ccc(Br)cc1CBr 2039294169 CVULWITZJSIQIA-UHFFFAOYSA-N 454.025 5.804 50 10 JKGE CC1(C)CCC[C@@H]([C@@H](Br)c2sc(Br)cc2Br)CC1 2039353222 DAUDBJQIKLLJCQ-BXKDBHETSA-N 459.085 7.316 50 10 JKGE Cc1sc(Br)c([C@@H](Br)c2sc(C)c(Br)c2C)c1C 2039503919 UEOFBNHUFPATIL-LLVKDONJSA-N 473.093 7.053 50 10 JKGE Cn1ncc2cc([C@@H](Br)c3cc(Br)c(Br)s3)sc21 2054802521 RXEJXWCTZXRMTQ-SECBINFHSA-N 471.037 5.706 50 10 JKGE CC[C@@H](CC(F)(F)F)[C@@H](Br)c1ccc(Br)cc1Br 2083311834 MSIKXVDDJDZHGJ-WRWORJQWSA-N 452.934 6.626 50 10 JKGE COc1c(Br)cc(C)cc1[C@H](Br)c1ccc(Br)s1 2083447681 UBXHMVDCKJTJSX-LBPRGKRZSA-N 455.009 6.074 50 10 JKGE Cc1nc(C[C@H](Cl)c2cc(Br)ccc2I)sc1C 2085798035 LZPQTDRTKSIAMG-NSHDSACASA-N 456.574 5.650 50 10 JKGE CC1(COc2c(Br)cc(Br)cc2CBr)CCOCC1 2087546616 RTJNWYYJUSYLMF-UHFFFAOYSA-N 457.000 5.302 50 10 JKGE C[C@@H](Cl)c1nc2cc(Br)c(Cl)cc2n1C[C@H]1CCN1Cc1ccccc1 2103808143 SFAAJNMPNIIYHD-UKRRQHHQSA-N 453.211 6.027 50 10 JKGE CCCC(CBr)(CCC)CN=[S@@](C)(=O)[C@@H]1CCN(C(=O)OC(C)(C)C)C1 2106784855 LPZBRBOLFDTDPE-DXPJPUQTSA-N 453.487 5.075 50 10 JKGE Cc1cc(Br)c(C)c([C@H](Br)[C@]23CCCC[C@@H]2C3)c1Br 2136366890 MALZHMGIZISAFL-RLCCDNCMSA-N 451.040 6.845 50 10 JKGE Cc1cc(Br)c(C)c([C@H](Br)[C@@H]2C[C@@H](C)O[C@H]2C)c1Br 2136368100 UZMOUEJWCMCBHM-AFCLKFOHSA-N 455.028 6.078 50 10 JKGE Cc1cc(Br)c(C)c([C@H](Br)[C@H]2C[C@@]23CC3(F)F)c1Br 2136378618 WQUGFPCCIOMAKK-BZHVJNSISA-N 458.966 6.310 50 10 JKGE CO[C@H]1C[C@@H]([C@@H](Br)c2ccc(Br)cc2Br)C[C@H]1OC 2138870316 IJFGOLUWUGMTTI-DSMZTOPNSA-N 457.000 5.088 50 10 JKGE C[C@@H](Cl)c1nc2cc(Br)c(F)cc2n1C1(CCOCc2ccccc2)CC1 2146509210 ZWKCNVCUFFMCQK-CQSZACIVSA-N 451.767 6.334 50 10 JKGE Fc1cc(Br)ccc1[C@@H](Br)c1cc(Br)c2c(c1)CCO2 2146627872 LREYHNXKMMBYDW-AWEZNQCLSA-N 464.954 5.770 50 10 JKGE Cc1cc(C)c(C)c([C@@H](Br)c2c(Br)cccc2Br)c1C 2150493858 NJHSXKDQAQYGIX-QGZVFWFLSA-N 461.035 6.930 50 10 JKGE Cc1cc([C@@H](Br)c2cc(Br)c3c(c2)CCCO3)c(Br)s1 2157244924 HEAYREKKXPPKOT-ZDUSSCGKSA-N 481.047 6.391 50 10 JKGE Cc1c(Cl)cc(C[C@H](CBr)c2cccc(Br)c2)cc1Br 2167384030 GMZBKFWWEIAZST-CYBMUJFWSA-N 481.453 6.895 50 10 JKGE Cc1c(Br)ccc([C@H](Br)C2CC(OC(C)(C)C)C2)c1Br 2203683168 KJJAWDGFISTNRO-QKFMDRJYSA-N 469.055 6.550 50 10 JKGE Cc1c(Br)ccc([C@@H](Br)C2CC3(C2)CC(C)(C)C3)c1Br 2203687109 WJDOOAVWKXVPRI-HNNXBMFYSA-N 465.067 7.172 50 10 JKGE Cc1cc2nc(CCCl)n(CC3(N(Cc4ccccc4)Cc4ccccc4)COC3)c2cc1Cl 2206560183 OSCVMURUHZQZAK-UHFFFAOYSA-N 494.466 6.251 50 10 JKGE BrCC(CBr)(C[C@@H]1CCCOCC1)c1ccccc1Br 2206825428 ZJIJJWLMJPMGRC-CYBMUJFWSA-N 469.055 5.684 50 10 JKGE Cc1sc(Br)c([C@@H](Br)c2scc(Br)c2C)c1C 2213775746 VIBWETUHJFYFRX-SNVBAGLBSA-N 459.066 6.744 50 10 JKGE Cc1cc(Br)c([C@@H](Br)c2ccc(F)c(Br)c2F)s1 2221844023 TUZQSQOQPQOFAO-VIFPVBQESA-N 460.963 6.344 50 10 JKGE Fc1cc(Br)c(Br)cc1[C@@H](Br)[C@@H]1[C@H]2CCCCC[C@H]21 2225614986 BMHJFDYXWQMBHP-UTBFZLOTSA-N 455.003 6.613 50 10 JKGE Cc1cc(Br)c([C@H](Br)[C@]2(C)CCCCO2)c(C)c1Br 2227359505 ISLSIPBWJBLVFK-GJZGRUSLSA-N 455.028 6.224 50 10 JKGE Cc1cc([C@@H](Br)c2c(F)cc(F)c(Br)c2F)c(Br)s1 2227799029 AAHKLCAFFVGNIC-SECBINFHSA-N 478.953 6.483 50 10 JKGE Cc1ccc([C@@H](Br)c2sc(C)c(C)c2Br)c(C)c1Br 2229322346 IXGXJMVDFDZFCJ-CQSZACIVSA-N 467.064 6.991 50 10 JKGE CCc1nn(C)c([C@H](Br)c2ccc(Br)cc2Br)c1Cl 2232175970 UHONTNRIOUSERQ-LLVKDONJSA-N 471.418 5.645 50 10 JKGE ClCc1nc2cc(Br)c(Br)cc2n1Cc1cc(Br)no1 2234059537 UJRKHDQTZFUHEB-UHFFFAOYSA-N 484.373 5.099 50 10 JKGE Cc1cc(Br)c([C@H](Br)C2CC3(CCCO3)C2)c(C)c1Br 2235604006 DHYLTZXDPDSQIA-YWCUFVOSSA-N 467.039 6.224 50 10 JKGE Cc1cc(Br)c([C@@H](Br)[C@@]23CC[C@@](C)(C2)OC3)c(C)c1Br 2235608133 ISGXKULBQZZYHA-PMPSAXMXSA-N 467.039 6.224 50 10 JKGE Fc1cc(F)c([C@@H](Br)c2ccc(Cl)cc2Br)c(F)c1Br 2236111100 SURDYAJDRMLYJD-NSHDSACASA-N 493.342 6.767 50 10 JKGE COc1cc(Br)c(C)cc1[C@H](Br)c1sc(C)c(C)c1Br 2237628830 AJVSTBKKKCENHK-AWEZNQCLSA-N 483.063 6.691 50 10 JKGE COc1ccc([C@H](Br)c2cc(Br)c(Cl)cc2F)c(Br)c1 2240811239 YVNAHSGFOYKXES-AWEZNQCLSA-N 487.388 6.497 50 10 JKGE CC(C)(C)OC(=O)NC[C@@](C)(CI)OCC[C@H]1CCCCC12CC2 2246627645 SGFBNLJBWFGWCO-CRAIPNDOSA-N 451.389 5.082 50 10 JKGE Clc1ccc([C@H](Br)c2ccc(Cl)c(I)c2)c(Cl)c1 2256339447 SMBCQYNUMDYYDP-CYBMUJFWSA-N 476.366 6.736 50 10 JKGE COCC1([C@@H](Br)c2sc(Br)cc2Br)CC(F)(F)C1 2263686460 KPIJJTAOUUEPEL-VIFPVBQESA-N 468.983 5.771 50 10 JKGE FC1(F)C[C@H]([C@H](Br)c2c(Br)sc(Br)c2Cl)C12CCC2 2266150143 ZWPDJNRHDIXDMQ-VDTYLAMSSA-N 499.440 7.188 50 10 JKGE COc1c([C@@H](Br)c2csc(Br)c2)cc(Br)c(C)c1C 2269112713 ZCZYCQWOJMSSCM-ZDUSSCGKSA-N 469.036 6.383 50 10 JKGE COc1ccc([C@@H](Br)c2csc(Br)c2Br)c(OC)c1 2271515095 YSPUDVYFQQLHKP-LLVKDONJSA-N 471.008 5.775 50 10 JKGE C[C@H](Br)CN(C(=O)c1cccc(Br)c1Br)C(C)(C)C 2272460638 SMIUJLABRQDXOU-VIFPVBQESA-N 456.016 5.236 50 10 JKGE Cc1cc([C@H](Cl)c2c(F)cc(Br)c(F)c2Br)sc1Br 2272722647 UTJDTNALCQOLJM-JTQLQIEISA-N 495.408 6.950 50 10 JKGE Brc1cc(Br)cc(C[C@@H](Br)[C@@H]2CCCCC23CC3)c1 2277947687 JBDDOHDAPDOSPD-LSDHHAIUSA-N 451.040 6.488 50 10 JKGE Fc1ccc([C@H](Br)Cc2cc(Br)cc(Br)c2)cc1Cl 2277965461 LYVRMRPNYRDNKD-GFCCVEGCSA-N 471.389 6.683 50 10 JKGE CC[C@H](C)c1ccc([C@H](Br)c2ccc(Cl)c(I)c2)cc1 2283587548 VVSOIJVHDSUFFE-GTNSWQLSSA-N 463.584 6.942 50 10 JKGE COc1ccc([C@@H](Br)[C@H]2C[C@@H](OC(C)(C)C)C2)cc1I 2284998463 RINQXODOGOGKIP-TYNCELHUSA-N 453.158 5.330 50 10 JKGE CCOC1CC(C[C@@H](Br)c2c(F)cc(Br)c(F)c2Br)C1 2288376884 RANRUVDFDWTGRY-AMDVSUOASA-N 476.981 6.131 50 10 JKGE Fc1cc(Br)c(F)c(Br)c1[C@H](Br)[C@@H]1C[C@@]12CCCOC2 2288489060 OYGWUMGPGCUSPZ-RJDJZPOESA-N 474.965 5.743 50 10 JKGE O=C(NN=C(C=Cc1ccccc1)c1ccccc1)c1ccccc1I 2293218327 GARBGKSPQIOPAE-UHFFFAOYSA-N 452.295 5.139 50 10 JKGE CCOc1cc(C=C(C#N)C(=O)NC2CCCCC2)ccc1OCc1ccc(Cl)c(Cl)c1 2293441582 TYVNZHFBMQBXBR-UHFFFAOYSA-N 473.400 6.327 50 10 JKGE COc1ccc(NC(=O)C(C#N)=Cc2ccc(OCCOc3ccc(C(C)(C)C)cc3)cc2)cc1 2294593248 NNVAFJZKXQLERN-UHFFFAOYSA-N 470.569 5.996 50 10 JKGE N#CC(=CNc1ccc(S(=O)(=O)Nc2nccs2)cc1)c1nc(-c2ccccc2)cs1 2296038241 WGEYBVUQPGARCA-UHFFFAOYSA-N 465.585 5.044 50 10 JKGE COc1cc(C=C(C#N)C(=O)N[C@@H]2CCCC[C@@H]2C)ccc1OCc1cccc(C(F)(F)F)c1 2297381619 CVEPLCGGEHYSOL-HTAPYJJXSA-N 472.507 5.895 50 10 JKGE Brc1ccc(OCc2ccccc2)c([C@@H](Br)CC(C2CC2)C2CC2)c1 2314494863 MCJMHWCCCYBYIV-NRFANRHFSA-N 464.241 7.290 50 10 JKGE N#CC(=Cc1cn(-c2ccccc2)nc1-c1ccc2c(c1)OCO2)S(=O)(=O)c1ccc(Cl)cc1 2314522501 MCKYOCQJMIOKQT-UHFFFAOYSA-N 489.940 5.260 50 10 JKGE Cc1ccc(N2C(=O)[C@@H](Cc3ccc(C(C)C)cc3)SC2=C(C#N)C(=O)NCc2ccco2)cc1C 2314593418 MSLLLJHHJKRHKP-AREMUKBSSA-N 499.636 5.763 50 10 JKGE COc1ccc(C=CC(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@H]3c2ccccc2Cl)cc1 2314634170 WKISSHMAEZLPLH-VWLOTQADSA-N 458.901 5.186 50 10 JKGE Cc1c(Br)sc([C@H](Br)[C@H]2COC3(C)CC2C3)c1Br 2315927142 DSJNGRLRUXCLML-KSHLPZJGSA-N 459.041 5.833 50 10 JKGE Cc1cc(C)c([C@H](Br)c2sc(Cl)cc2I)c(C)c1 2316768854 CSVABVQTXOIHGI-ZDUSSCGKSA-N 455.586 6.416 50 10 JKGE N#CC(=Cc1ccc(OC(=O)COc2ccc(Cl)cc2Cl)cc1)c1cccc(Cl)c1 2320506402 ISMBDCQXHFJCIA-UHFFFAOYSA-N 458.728 6.695 50 10 JKGE Cc1ccc(CBr)c(OCc2sccc2Br)c1Br 2327796167 CKPIJGAVHFRFKA-UHFFFAOYSA-N 455.009 6.055 50 10 JKGE Cc1cc(Br)c(CBr)c(N2CC[C@@H]3CC[C@H](C2)N3Cc2ccccc2)c1 2330417253 HSGKQVHZTVIAHC-RBUKOAKNSA-N 478.272 5.896 50 10 JKGE COc1cc(C=C(C#N)c2nc3cc(C)ccc3n2C)ccc1OCc1c(Cl)cccc1Cl 2331018545 MJEFPWGNQUFLRA-UHFFFAOYSA-N 478.379 6.840 50 10 JKGE CC[C@@H](C)[C@@H](C(O)=C(C#N)c1nc(-c2cc(C)ccc2C)cs1)N1C(=O)c2ccccc2C1=O 2331320023 CDVPCISNMMLCEQ-MWTRTKDXSA-N 471.582 5.931 50 10 JKGE COc1ccc(OCC(O)=C(C#N)c2nc(-c3cccc4ccccc34)cs2)c(C(C)(C)C)c1 2331339140 JTJHNENLVMCUKB-UHFFFAOYSA-N 470.594 7.141 50 10 JKGE COc1c(Cl)cc(Cl)cc1-c1csc(C(C#N)=C(O)CCCOc2ccccc2Cl)n1 2331362775 OSWPIVXYAVUAHM-UHFFFAOYSA-N 495.815 7.431 50 10 JKGE COc1cccc(-c2csc(C(C#N)=Cc3ccc(OCc4ccc(Cl)cc4Cl)cc3)n2)c1 2331421570 ZYYOCALXMNXBJW-UHFFFAOYSA-N 493.415 7.769 50 10 JKGE COc1ccc(-c2csc(C(C#N)=Cc3cc(Br)cc(Br)c3O)n2)cc1 2331431469 KFBDCIIRVBAMAA-UHFFFAOYSA-N 492.192 6.113 50 10 JKGE CCN(Cc1ccccc1)c1ccc(C=C(C#N)c2nc(-c3ccc(OC)cc3OC)cs2)cc1 2331473509 CZTFIRDTEXLVIP-UHFFFAOYSA-N 481.621 6.918 50 10 JKGE CCCC1CCC([C@@H](Br)c2cc(Br)ccc2OCc2ccccc2)CC1 2336041986 SGIYODFOWXOYCJ-MCSCQSGASA-N 480.284 8.071 50 10 JKGE FC1(F)CC2(CC([C@H](Br)c3cc(Br)ccc3OCc3ccccc3)C2)C1 2336054226 QDFWHGCVACLGAB-IBGZPJMESA-N 486.194 7.290 50 10 JKGE Clc1ccc(CN2CC[C@@H](CBr)C23CCC3)cc1I 2337217695 AFNJDXQBYKLBNB-LBPRGKRZSA-N 454.577 5.084 50 10 JKGE CC12CC(C1)[C@H]([C@H](Br)c1cc(Br)c(Br)cc1F)CO2 2337678931 FHRWLYWFKZFZEI-PBPOLAOVSA-N 456.975 5.602 50 10 JKGE C[C@H](Br)CN(Cc1ccc(Cl)cc1I)C1CCCC1 2342950733 FVJCYCASMKGJQF-NSHDSACASA-N 456.593 5.473 50 10 JKGE COc1ccc(C[C@H](Br)c2c(Cl)sc(Cl)c2Cl)c(Br)c1 2364261178 MMDVGGQWUCGJTI-VIFPVBQESA-N 479.448 7.158 50 10 JKGE N#C/C(C(=O)Nc1ccccc1)=C1\S[C@H](Cc2ccc(Cl)cc2)C(=O)N1c1ccc(Cl)cc1 1790528 GDZSSTSOMMPSCI-FNBPXTNNSA-N 494.403 6.058 50 10 JKGE CCSc1ccsc1[C@H]1C(C#N)=C(N)N(c2ccc(F)cc2)C2=C1C(=O)CC(C)(C)C2 9981350 SOLHLEDATRZLLS-FQEVSTJZSA-N 453.608 5.940 50 10 JKGE C/C(=N/NC(=O)c1ccc(OCC(=O)N2[C@@H](C)CCC[C@H]2C)cc1)c1cccc(C(F)(F)F)c1 33496924 SYOADWSMKUOOLG-OFILCUSASA-N 475.511 5.028 50 10 JKGE COc1cc(/C=C(/C#N)c2ccc(Cl)cc2)c(Br)cc1OCc1ccc(C)cc1 33919865 SYVUBBMHIGFAQV-JAIQZWGSSA-N 468.778 7.063 50 10 JKGE C=C(C)[C@@H]1CC=C(C)/C(=N\NC(=O)COc2c(C)cc(Br)cc2Br)C1 33959041 QEHWRHMAHRUEPA-CHOFAJOMSA-N 470.205 5.303 50 10 JKGE CCOc1ccc(NC(=O)/C(C#N)=C\c2cn(-c3ccccc3)nc2-c2cccc(OCC)c2)cc1 35446430 JMWJRUBJTMMATG-XLNRJJMWSA-N 478.552 5.882 50 10 JKGE C=CCOc1ccc(C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@@H]3c2cccc3ccccc23)cc1 38657816 DAMOWOUODSFVKG-MUUNZHRXSA-N 474.516 5.842 50 10 JKGE CCCOc1ccccc1[C@@H]1C(C#N)=C(N)Oc2cc(OC(=O)c3ccc(OC(C)C)cc3)ccc21 38681593 PEJQQGKMTSKRMC-MHZLTWQESA-N 484.552 5.700 50 10 JKGE CCCCCOc1ccccc1[C@@H]1C(C#N)=C(N)Oc2cc(OC(=O)c3ccc(C)cc3)ccc21 38685989 SBPXVJSDHPLJPC-MHZLTWQESA-N 468.553 6.001 50 10 JKGE Cc1ccc2c(C)c(C(=O)Oc3ccc4c(c3)OC(N)=C(C#N)[C@H]4c3ccccc3Cl)oc2c1C 38687654 KQXLZVGKYPIJJA-DEOSSOPVSA-N 484.939 6.449 50 10 JKGE Cc1cccn2c(=O)c(/C=C(/C#N)C(=O)Nc3ccccc3Cl)c(Oc3ccc(F)cc3)nc12 39858713 IVEMNWVOTWVYHU-SSZFMOIBSA-N 474.879 5.133 50 10 JKGE N#C/C(=C\c1ccc(-c2ccc(Br)cc2)o1)C(=O)Nc1cc(Cl)cc(Cl)c1 39884637 LUUFGJLWQCXTLE-NTUHNPAUSA-N 462.130 6.562 50 10 JKGE N#C/C(=C\c1ccc(-c2ccc(Cl)c(Cl)c2)o1)C(=O)Nc1ccc(C(F)(F)F)c(Cl)c1 39884872 ZEBPWXGNTOUJQH-KPKJPENVSA-N 485.676 7.471 50 10 JKGE Cc1ccc(C(C)C)c(OC(=O)c2oc3c(c2C)/C(=N/NC(=O)c2ccccc2C)CCC3)c1 40811555 LYICOFITDKAHJC-QUPMIFSKSA-N 458.558 6.018 50 10 JKGE COc1ccc(Cl)cc1NC(=O)c1oc2c(c1C)/C(=N/NC(=O)c1ccc(Cl)cc1)CCC2 40811609 PQLHNXWFXCFLMV-OGLMXYFKSA-N 486.355 5.626 50 10 JKGE Cc1c(C(=O)Nc2ccc(Br)cc2)oc2c1/C(=N/NC(=O)c1ccccc1F)CCC2 40812465 VXJIPWPYRVDJTR-OVVQPSECSA-N 484.325 5.212 50 10 JKGE Cc1ccc2c(CC(=O)N/N=C3\CCCc4oc(C(=O)N5CCCCCC5)c(C)c43)coc2c1C 40826685 GNKQPGRRWSYTTA-QUPMIFSKSA-N 475.589 5.367 50 10 JKGE CC(C)c1ccc(/C=C(\C#N)C(=O)Oc2ccc3cc(C(=O)NCc4ccccc4)c(=O)oc3c2)cc1 40890848 GRXNAXKTTWXUIK-ZVHZXABRSA-N 492.531 5.359 50 10 JKGE C=CCOc1c(Cl)cc(/C=N\NC(=O)CC[C@H](O)c2ccc(OCC)cc2)cc1Br 58893843 BUAUJFHQNLGQLY-FQOPDIHJSA-N 495.801 5.030 50 10 JKGE Cc1ccc(NC(=O)c2c(-n3c(C)cc(/C=C(\C#N)C(=O)N(C)C)c3C)sc3c2CCCC3)cc1 59249756 YKXBWEMDVOZRNS-RCCKNPSSSA-N 486.641 5.590 50 10 JKGE COc1cc(/C=N/NC(=O)c2ccc(-n3c(C)ccc3-c3ccccc3)cc2)cc(Cl)c1O 59679835 ADADNZSHXGYYCC-LQKURTRISA-N 459.933 5.584 50 10 JKGE COC(=O)c1cc(C(C)C)sc1NC(=O)/C(C#N)=C\c1ccc(COc2ccccc2C)o1 96438547 URUOUXYZVFLJLK-BOPFTXTBSA-N 464.543 5.684 50 10 JKGE ClCCc1nc2cc(I)ccc2n1-c1cccc(Br)c1 97353748 VWGHTSQKEGOVBG-UHFFFAOYSA-N 461.528 5.174 50 10 JKGE N#C/C(=C(\c1ccc(-c2cccc(C(F)(F)F)c2)o1)N1NC(=O)CC1=N)c1nc2ccccc2s1 104505015 ZWMLCGLZXIQIPW-KJIYAJGPSA-N 493.470 5.681 50 10 JKGE COc1ccc([C@@H](Br)c2ccc(I)cc2)c(Br)c1 109876780 HOMVEFNSSBWRTK-AWEZNQCLSA-N 481.953 5.547 50 10 JKGE Fc1cccc(CC(CBr)(CBr)c2cccc(Br)c2)c1 118878779 NFQZBXSUMHNOOZ-UHFFFAOYSA-N 464.998 5.859 50 10 JKGE Cc1cc([C@@H](Cl)c2cc(Br)c(Br)s2)c(C)cc1Br 128873009 AWJQHWFNBVRHDO-GFCCVEGCSA-N 473.455 6.981 50 10 JKGE COc1cc([C@@H](Br)c2ccc(Br)s2)c(OC)cc1Br 134296168 ANTBJZGEPQTMPT-CYBMUJFWSA-N 471.008 5.775 50 10 JKGE CCOc1cccc(-c2nn(-c3ccccc3)cc2/C=C(/C#N)C(=O)N[C@H](C)c2ccccc2)c1 210033771 KZZCXJSFNCOOAD-ZALQFNEYSA-N 462.553 5.722 50 10 JKGE Clc1c(Br)cccc1[C@H](Br)Cc1cccc(Br)c1 228457726 WKALGFDPPYVERE-CYBMUJFWSA-N 453.399 6.544 50 10 JKGE O=C(c1cc(Br)sc1Br)N1CCCC[C@H]1CCBr 232453860 WSSPSLFGLBDRLO-QMMMGPOBSA-N 460.029 5.053 50 10 JKGE COc1ccc(C(C)=NNC(=O)c2ccccc2OCc2ccc(Br)cc2)c(OC)c1 252486980 QLWUHAXXKBZYRM-UHFFFAOYSA-N 483.362 5.199 50 10 JKGE Cc1onc(-c2ccccc2Cl)c1C(=O)NN=Cc1cn(Cc2ccccc2)c2ccccc12 252636481 XIRGDARUDQPJLC-UHFFFAOYSA-N 468.944 6.070 50 10 JKGE O=C(COc1ccc2ccccc2c1)NN=Cc1c(OCc2ccc(F)cc2)ccc2ccccc12 254445810 DLXZAEMPNPKWTB-UHFFFAOYSA-N 478.523 6.240 50 10 JKGE CCCCCCCCCCCCCCCCCC(=O)NN=Cc1cccc(OCc2ccccc2)c1 254596791 YISZBISVRNWVIJ-UHFFFAOYSA-N 492.748 8.977 50 10 JKGE Cc1ccc(-c2nnc(SCC(=O)NN=Cc3c(O)ccc4ccccc34)n2-c2ccccc2)cc1 254813342 HLHJKXRMDMGSNA-UHFFFAOYSA-N 493.592 5.344 50 10 JKGE ClCCc1nc2cc(I)ccc2n1-c1ccc(OCc2ccccc2)cc1 313579544 XJOMPDPPGRRCGY-UHFFFAOYSA-N 488.756 5.990 50 10 JKGE FC(F)(F)Oc1cccc([C@@H](Br)c2cc(Br)sc2Br)c1 380172624 YWJXOOVIANVPNB-SNVBAGLBSA-N 494.952 6.656 50 10 JKGE Fc1cc2c(cc1I)nc(CCl)n2-c1ccc(OCc2ccccc2)cc1 383644160 FVBNISNIZXKSKH-UHFFFAOYSA-N 492.719 6.087 50 10 JKGE C[C@@]1(CI)CC[C@H](c2cc(Br)cc(Br)c2)O1 394574711 RFBDPAAIAOPJHE-NEPJUHHUSA-N 459.947 5.257 50 10 JKGE Brc1cc2c(c([C@H](Br)c3coc(Br)c3)c1)OCCC2 688384420 PRXJEZPRYGIMFG-CYBMUJFWSA-N 450.952 5.614 50 10 JKGE Fc1ccc2nc(CCCl)n(C3CCN(Cc4ccccc4)CC3)c2c1Br 689728659 AYLBWFDJGTWEPV-UHFFFAOYSA-N 450.783 5.556 50 10 JKGE Cc1cc(Br)c([C@@H](Cl)c2ccsc2Br)cc1Br 698694218 PHDNERNBIWPYFK-NSHDSACASA-N 459.428 6.672 50 10 JKGE CC(C)(C)c1ccc([C@H](Br)c2scc(Br)c2Br)cc1 705445828 APGPKEUSVGZLSC-LBPRGKRZSA-N 467.064 7.055 50 10 JKGE Clc1ccc([C@H](Cl)c2ccc(I)c(Br)c2)cc1Cl 721593825 LZDWNTFOYZKASK-CYBMUJFWSA-N 476.366 6.689 50 10 JKGE Cc1cc([C@@H](Br)c2sc(C)c(Br)c2C)ccc1Br 724926975 CJPRGAOUOBDNSN-CYBMUJFWSA-N 453.037 6.683 50 10 JKGE COc1cccc(CNC(=O)[C@H](c2cccs2)N(C(=O)CCl)c2cccc(C(F)(F)F)c2)c1 725237199 BDPDRHHHAQKKJD-NRFANRHFSA-N 496.938 5.405 50 10 JKGE CCOc1cc(C=NNC(=O)CC[C@@H](O)c2ccccc2)ccc1OCc1ccc(Cl)cc1 725396431 NSULVCZVQGXNCU-HSZRJFAPSA-N 466.965 5.282 50 10 JKGE O=C(CSc1nc2ccccc2o1)NN=Cc1cccc(OCc2ccc(Cl)cc2Cl)c1 1084288421 JYDSPOGIOIBGJI-UHFFFAOYSA-N 486.380 5.956 50 10 JKGE CC(C)COc1cc(Cl)cc(C(=O)N(NC(=O)Nc2cc(F)ccc2F)C(C)(C)C)c1 1088694350 QIXBPUUIHRAJTM-UHFFFAOYSA-N 453.917 5.630 50 10 JKGE COc1ccc(C(=O)NN=C2CCCc3oc(C(=O)Nc4ccc(C(C)C)cc4)c(C)c32)cc1 1772745984 ORRDKMSCSXTFOO-UHFFFAOYSA-N 459.546 5.443 50 10 JKGE Cc1ccc(COc2ccc(C=NNC(=O)CSc3nc(-c4ccccc4)cs3)cc2)cc1 1772755110 NUCCVBWDJNYJKU-UHFFFAOYSA-N 473.623 5.940 50 10 JKGE CC(C)CCC[C@H](C)[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 1848665547 XOLVVFSHDULKRS-KXXKIMOPSA-N 477.173 8.567 50 10 JKGE O=C(CCCC[C@H]1CCSS1)N1CCN(C(c2ccc(F)cc2)c2ccc(F)cc2)CC1 1860191837 LAPZDXGMCOCHHE-QHCPKHFHSA-N 476.658 5.913 50 10 JKGE CCn1nc(C(F)(F)F)c2c1OC(N)=C(C#N)[C@H]2c1ccc(OCc2ccc(C)cc2)cc1 1865694387 XHQKPMCXGVIPPH-LJQANCHMSA-N 454.452 5.027 50 10 JKGE Cc1ccsc1[C@@H]1C(C#N)=C(N)Oc2c1c(-c1ccccc1)nn2-c1cccc2ccccc12 1865699114 LAWKLDVPHLGMRW-HSZRJFAPSA-N 460.562 6.281 50 10 JKGE Cc1ccsc1[C@H]1C(C#N)=C(N)Oc2c1c(C(F)(F)F)nn2Cc1ccc(Cl)cc1 1865699374 SEMOGKCGYIXNKN-AWEZNQCLSA-N 450.873 5.192 50 10 JKGE COc1ccc(-c2nn(-c3cccc4ccccc34)c3c2[C@@H](c2cccn2C)C(C#N)=C(N)O3)cc1 1865699592 XVCALRQDJLFMRW-RUZDIDTESA-N 473.536 5.258 50 10 JKGE COc1ccc(-c2nn(-c3ccc(C)cc3)c3c2[C@H](c2ccc(OC)cc2OC)C(C#N)=C(N)O3)cc1 1865707714 DKFUHBPMPSPMSP-RUZDIDTESA-N 494.551 5.092 50 10 JKGE CCCC[C@H](NC(=O)Cc1nc(-c2cccc(Cl)c2)oc1C)C(=O)Nc1ccc(SC#N)cc1 1866665896 QTDNDRXMEMOECW-NRFANRHFSA-N 497.020 5.733 50 10 JKGE COc1cc2c(cc1OC)N(c1cc(Nc3ccc(SC#N)cc3)nc(C(C)(C)C)n1)CC2 1868341858 BMGTXFNLUHLTMT-UHFFFAOYSA-N 461.591 5.802 50 10 JKGE CCCc1nc(Nc2ccc(SC#N)cc2)cc(N2CCS[C@@H](c3ccc(OC)cc3)C2)n1 1868388618 MERJUVLWVNBDHB-JOCHJYFZSA-N 477.659 6.049 50 10 JKGE O=C(Oc1ccc2c(-c3cc4cc(Br)ccc4oc3=O)cc(=O)oc2c1)C(Cl)Cl 1871385409 QTNNLKJSOOWXPN-UHFFFAOYSA-N 496.096 5.038 50 10 JKGE N#C/C(=C(/O)c1cccc(Oc2ccccc2)c1)c1nc(-c2ccc(Cl)cc2Cl)cs1 1872744704 FBQPEFBDYAGIJH-ATJXCDBQSA-N 465.361 7.859 50 10 JKGE CCc1cccc(CC)c1N1C[C@H](/C(O)=C(\C#N)c2nc(-c3cc(C)ccc3C)cs2)CC1=O 1872749922 NUFGJZWZANEWER-LULRDMADSA-N 471.626 6.398 50 10 JKGE CCc1cccc(C)c1N1C[C@H](/C(O)=C(\C#N)c2nc(-c3cccc4ccccc34)cs2)CC1=O 1872752320 WUECKYCZCOYTJJ-OKPNVDCHSA-N 479.605 6.680 50 10 JKGE COc1ccc(-c2csc(/C(C#N)=C(\O)c3ccccc3C(=O)c3ccccc3)n2)cc1F 1872752493 FXNXKISZVBYHFK-QQTULTPQSA-N 456.498 6.139 50 10 JKGE CCc1cccc(C)c1N1C[C@H](/C(O)=C(\C#N)c2nc(-c3c[nH]c4ccccc34)cs2)CC1=O 1872753319 RDCFJDOAFVYYFZ-OILZTRLPSA-N 468.582 6.008 50 10 JKGE Cc1cccc(C)c1OCCC/C(O)=C(\C#N)c1nc(-c2ccc(Oc3ccccc3)cc2)cs1 1872753915 UMJLWGOOARXEMQ-RFBIWTDZSA-N 482.605 7.871 50 10 JKGE CCc1cccc(CC)c1N1C[C@@H](/C(O)=C(\C#N)c2nc(-c3c(C)cc(C)cc3C)cs2)CC1=O 1872757037 NUQGKXWQISCYOL-NIFLQSGPSA-N 485.653 6.706 50 10 JKGE COc1ccc(Cl)cc1-c1csc(/C(C#N)=C(\O)[C@H](C(C)C)N2C(=O)c3ccccc3C2=O)n1 1872758950 YDOAGURSTIOHOI-UEBMVEOSSA-N 493.972 5.586 50 10 JKGE COc1ccc(-c2csc(/C(C#N)=C(\O)c3ccc(Cl)c([N+](=O)[O-])c3)n2)c(OC)c1OC 1872759443 ORPAEKRVACWITJ-AQTBWJFISA-N 473.894 5.347 50 10 JKGE CCCCCCOc1ccc(/C=C(\C#N)c2nc(-c3ccccc3Cl)cs2)cc1OC 1872781222 YWDOUDZPCQOMKL-XMHGGMMESA-N 453.007 7.495 50 10 JKGE COc1ccc(-c2csc(/C(C#N)=C/c3ccc(OCc4ccccc4)cc3)n2)c(OC)c1 1872793578 HYHYJPXKJFJWOD-KGENOOAVSA-N 454.551 6.470 50 10 JKGE BrC[C@@H](CSc1cc(I)ccc1Br)C1CC1 1900780834 QYTMYDMLWKPWPY-VIFPVBQESA-N 476.015 5.567 50 10 JKGE BrC[C@@H](C1CC1)N(Cc1ccccc1)c1ccnc2cc(Br)cnc12 1915187716 DSZVFWFWZSFTBR-IBGZPJMESA-N 461.201 5.572 50 10 JKGE Clc1c(Br)sc(Br)c1[C@H](Br)[C@@H]1Cc2ccccc2O1 1923068213 OHWZFYGNCVVTAN-WCBMZHEXSA-N 487.438 6.366 50 10 JKGE COC1(C[C@H](Br)c2c(Br)sc(Br)c2Cl)CC1 1923068834 XBZSQDLFDJUMPG-YFKPBYRVSA-N 453.421 5.932 50 10 JKGE Cl[C@@H](c1ccc(C2CC2)cc1)c1c(Br)sc(Br)c1Br 1924568032 ARHPVDOENUZJBD-LBPRGKRZSA-N 485.466 7.241 50 10 JKGE Brc1cc2c(cc1[C@H](Br)c1csnc1Br)OCCCO2 1925253872 CISJCDCIXJJBDN-LBPRGKRZSA-N 484.007 5.314 50 10 JKGE Cc1ccc([C@@H](Br)c2c(Cl)sc(Br)c2Cl)cc1Br 1925583375 CPMJZGRKEXMGHN-SECBINFHSA-N 493.873 7.373 50 10 JKGE CN(CCCOCc1ccccc1)c1c(CBr)ccc(Br)c1Cl 1939321485 AHQKNXXTSJEUKK-UHFFFAOYSA-N 461.625 6.041 50 10 JKGE O=C(OCC1c2ccccc2-c2ccccc21)N1CC[C@](CCCC[C@H]2CCSS2)(C(=O)O)C1 1951709722 UIAZQGWUEYPIJZ-PPHZAIPVSA-N 497.682 6.426 50 10 JKGE Cc1nc([C@H](Cl)c2cc(Br)c(Br)s2)c(Br)s1 1980604167 DMJTWVBMNLSGTE-ZCFIWIBFSA-N 466.445 6.129 50 10 JKGE Cl[C@@H](c1csc(I)c1)c1ccc(Br)cc1Br 1994122147 IVPUEGCAPUXYFB-NSHDSACASA-N 492.401 6.206 50 10 JKGE CN(c1cc(Br)cc(F)c1CBr)[C@H]1CC[C@H]1OCc1ccccc1 2004047643 RMASBWUSXZOYEU-PKOBYXMFSA-N 457.181 5.667 50 10 JKGE Brc1cnsc1[C@H](Br)c1csc2c(Br)cccc12 2028524348 KZMOZMTZHXCLKR-SNVBAGLBSA-N 468.033 6.367 50 10 JKGE CCc1sc(Br)cc1[C@@H](Cl)Cc1ccccc1I 2030214687 AFVOLVIGPGXVLZ-NSHDSACASA-N 455.586 6.200 50 10 JKGE Clc1cccc(Br)c1[C@@H](Cl)c1c(Cl)sc(Br)c1Cl 2050317366 CSEMCSZFXZTQJT-MRVPVSSYSA-N 469.840 7.562 50 10 JKGE Cl[C@H](c1c(Br)sc(Br)c1Br)[C@@H]1CCCCC12CC2 2053370086 DPRSKOZBRRFULJ-XVKPBYJWSA-N 477.487 7.286 50 10 JKGE FC(F)([C@H]1CCOC1)[C@@H](Cl)c1c(Br)sc(Br)c1Br 2065535542 HSMPLXWMNQAAKV-FFWSUHOLSA-N 489.401 5.987 50 10 JKGE Cc1cc([C@H](Br)c2cc(Cl)ccc2Cl)ccc1I 2086039344 KJUJONLFNLUTQX-AWEZNQCLSA-N 455.948 6.391 50 10 JKGE C[C@H]1Cc2cc([C@@H](Cl)c3csc(I)c3)cc(Br)c2O1 2090470207 LROWCNPEWDIAQH-WPPNPWJKSA-N 469.569 5.767 50 10 JKGE CCc1nn(-c2ccc(CCl)cc2Br)c(CC)c1I 2093914809 FWSXZDPGYDTXNZ-UHFFFAOYSA-N 453.549 5.103 50 10 JKGE COc1ccc([C@@H](Br)c2nn(C)c(Cl)c2Br)c(Br)c1 2110728995 VFTPXIUZEMVJGC-SECBINFHSA-N 473.390 5.091 50 10 JKGE Clc1c(Br)sc(Br)c1[C@H](Cl)c1ccc2nsnc2c1 2120651103 MMSPNPLTWBBKFZ-MRVPVSSYSA-N 459.015 6.259 50 10 JKGE Cc1cc(Br)c(C)c([C@H](Br)C[C@@H]2C[C@@H]2C2CC2)c1Br 2136371238 SIKMJWYJSVNYEB-OUCADQQQSA-N 451.040 6.701 50 10 JKGE Cc1cc(Br)c(C)c([C@H](Br)[C@H]2C[C@H]2C2CCC2)c1Br 2136382592 UDCLCCXIXXEDTG-MQIPJXDCSA-N 451.040 6.701 50 10 JKGE Cc1cc(Br)c([C@@H](Cl)c2ccc(Br)cc2Br)cc1Cl 2138860244 DNSZCVKARAFTTM-AWEZNQCLSA-N 487.844 7.264 50 10 JKGE BrC[C@H]1CCC2(CCC2)N1Cc1ccc(Br)cc1Br 2140848477 VDXLSEKEGQKJQL-CYBMUJFWSA-N 452.028 5.494 50 10 JKGE CC(C)C[C@@H](C(C)C)[C@H](Br)c1cc(I)cc2c1OCC2 2144843210 CZUBBYLXXBPLDL-HOCLYGCPSA-N 451.186 5.980 50 10 JKGE COc1cc(Br)c(C)cc1[C@H](Br)c1ccc(Br)c(F)c1 2145954490 CZFYCUBEGUYCJD-OAHLLOKOSA-N 466.970 6.152 50 10 JKGE COc1cc(Br)c(Oc2ncc(Br)c(CCl)n2)cc1Br 2146015669 LIMFLSKNZBSQSU-UHFFFAOYSA-N 487.373 5.304 50 10 JKGE Fc1cc([C@@H](Br)c2cccc(Br)c2Br)c(F)c(F)c1F 2148754826 WLTUZJGTJSYGTE-VIFPVBQESA-N 476.887 6.252 50 10 JKGE ClCc1nc2c(Cl)cccc2n1Cc1scc(Br)c1Br 2150563232 QGOZYCFTMWVFBK-UHFFFAOYSA-N 455.002 6.063 50 10 JKGE Cc1sc(Br)c([C@@H](Br)c2cc(Br)c3c(c2)CCO3)c1C 2157253935 ADARPDUYLDNQIO-ZDUSSCGKSA-N 481.047 6.309 50 10 JKGE Clc1ccc(C[C@@H](CBr)Cc2ccccc2Br)cc1Br 2166825612 VJJUFUNJABONTC-GFCCVEGCSA-N 481.453 6.661 50 10 JKGE C[C@@H]1C[C@H](n2c(CCl)nc3cc(Cl)c(Br)cc32)CCN1Cc1ccccc1 2168999705 WREKQGMZSGEZAU-GDBMZVCRSA-N 467.238 6.417 50 10 JKGE COc1cccc([C@@H](Br)CCc2cc(Br)ccc2Br)c1 2175148171 VRVDRLQKTWABGQ-HNNXBMFYSA-N 463.007 6.289 50 10 JKGE C[C@@H](N(Cc1ccccc1)S(=O)(=O)c1cc(F)c(Cl)c(CBr)c1)C(C)(C)C 2179861711 LMFVURMQYOYCIM-CQSZACIVSA-N 476.839 6.000 50 10 JKGE Cc1cc(Br)c(C)c([C@H](Br)[C@H]2C[C@H](C)O[C@H](C)C2)c1Br 2201066367 ZRRSLLZHBHJQJH-DXCMXYRUSA-N 469.055 6.468 50 10 JKGE Fc1cc(Br)c([C@H](Br)Cc2ccccc2Br)c(F)c1Cl 2201607557 FMCVZTMLHNYCFF-SECBINFHSA-N 489.379 6.822 50 10 JKGE Cc1cc([C@@H](Cl)c2cc3c(cc2Br)OCC3)ccc1I 2207103629 OLHKCIHAPOLFKP-MRXNPFEDSA-N 463.540 5.625 50 10 JKGE Clc1cc(Br)c([C@@H](Cl)c2ccc(Br)s2)c(Cl)c1Cl 2217614626 ZHWXFWCOLVDYQP-JTQLQIEISA-N 469.840 7.562 50 10 JKGE Cc1cc2nc(CCl)n(C[C@@H]3CC3(Br)Br)c2cc1Br 2224801630 RPRUVILKGJIMCS-QMMMGPOBSA-N 471.418 5.352 50 10 JKGE Fc1cc(Br)c(Br)cc1[C@H](Cl)c1ccc(Cl)c(Br)c1 2225633485 JZPZBKXZMJBPGP-CYBMUJFWSA-N 491.807 7.095 50 10 JKGE CO[C@@H]1CC[C@@H]([C@H](Br)c2c(Br)cc(C)c(Br)c2C)C1 2227349738 DSBOBYUUHCLETM-HFAKWTLXSA-N 455.028 6.080 50 10 JKGE Cc1cc(Br)c([C@H](Cl)c2c(Br)cc(F)c(Cl)c2F)s1 2229301906 SQVRVYNVKGGOII-SNVBAGLBSA-N 450.957 6.841 50 10 JKGE Cc1c(Br)sc([C@H](Br)[C@@H]2OCC[C@@H]2C(F)(F)F)c1Br 2231820091 HBGWPINNZHFOJN-UIISKDMLSA-N 486.973 5.985 50 10 JKGE Clc1ccc([C@@H](Br)c2c(Br)cc(Cl)c(Cl)c2Cl)c(Cl)c1 2232514895 XOAJIYGAFXMSKS-LLVKDONJSA-N 498.256 8.200 50 10 JKGE Cc1cc(Br)c([C@@H](Br)[C@H]2CCCCC2(F)F)c(C)c1Br 2235604043 MGMLZUMLINUEGX-YGRLFVJLSA-N 475.009 7.090 50 10 JKGE Fc1cc([C@@H](Br)c2scc(Br)c2Cl)c(F)cc1Br 2253605109 SDMHIGYDTREHOC-SECBINFHSA-N 481.381 6.689 50 10 JKGE Cn1cc([C@@H](Br)c2cc3sc(Br)cc3s2)c(Br)n1 2263616247 SHDXIABECLMXBG-SNVBAGLBSA-N 471.037 5.706 50 10 JKGE Fc1cc(Br)ccc1COc1ccc(CBr)c(Br)c1 2266655555 BZFSZCBEGSCYQO-UHFFFAOYSA-N 452.943 5.825 50 10 JKGE Fc1cc(Cl)c([C@@H](Br)c2ccc(Cl)c(I)c2)cc1F 2268277995 MWLRTRWOVWYWLB-ZDUSSCGKSA-N 477.901 6.361 50 10 JKGE CO[C@@H]1CC[C@@H]([C@@H](Br)c2c(F)cc(Br)c(F)c2Br)C1 2272725806 GEMDLTFRCUAOEF-OPVBNTEQSA-N 462.954 5.741 50 10 JKGE FC(F)(F)c1ccc([C@H](Br)c2ccc(Br)cc2Br)s1 2277705868 GGSMXFZDUMULMD-LLVKDONJSA-N 478.953 6.776 50 10 JKGE CC1(C)C[C@@H](C[C@@H](Br)Cc2cc(Br)cc(Br)c2)CO1 2277955106 IFNDNSYWAZWLGW-NEPJUHHUSA-N 455.028 5.723 50 10 JKGE COc1c(Cl)cc(Br)cc1[C@H](Br)c1csc(Cl)c1OC 2284306197 VGHBTRMDDXUHMG-JTQLQIEISA-N 461.002 6.319 50 10 JKGE COc1ccc([C@@H](Br)Cc2cccc(F)c2F)cc1I 2284998904 NMYGFYPBZKXWGQ-NSHDSACASA-N 453.064 5.257 50 10 JKGE N#CC(=Cc1ccc(Cl)cc1Cl)C(=O)Nc1ncc(Cc2cccc(Cl)c2Cl)s1 2293038560 LHPVPGYMHZEBBK-UHFFFAOYSA-N 483.207 6.893 50 10 JKGE CCOc1ccc(-c2nn(-c3ccccc3)cc2C=C(C#N)C(=O)NCc2ccco2)cc1Cl 2293039314 SMRCQPATWZBORV-UHFFFAOYSA-N 472.932 5.408 50 10 JKGE COc1cccc(C=C(C#N)c2nc3ccc(C)cc3[nH]2)c1OCC(=O)Nc1ccc(F)cc1 2294284730 OHGZYKJKZYWMIG-UHFFFAOYSA-N 456.477 5.101 50 10 JKGE Fc1cc(F)c([C@@H](Br)Cc2cc(Br)cc(Br)c2)cc1F 2295273843 CNVXTGBMXLBGPF-NSHDSACASA-N 472.924 6.308 50 10 JKGE Fc1cccc(CC[C@@H](Br)Cc2cc(Br)cc(Br)c2)c1 2295332664 ZXFWDKSQTHNDNE-CYBMUJFWSA-N 464.998 6.290 50 10 JKGE Brc1cc(Br)cc(C[C@H](Br)[C@H]2C[C@@H]2C2CCCCC2)c1 2295334130 SBANQPHOOWWMJN-IKGGRYGDSA-N 465.067 6.734 50 10 JKGE COc1cccc([C@H](Br)c2cc3sc(Br)cc3s2)c1Cl 2295501691 VAVYHAKTCQCWDJ-ZDUSSCGKSA-N 452.620 6.872 50 10 JKGE CN(Cc1cccc(Br)c1Br)[C@H](CBr)c1ccccc1 2296333548 FUMONDCPRWJSCO-OAHLLOKOSA-N 462.023 5.780 50 10 JKGE CCOC(=O)c1c(NC=C(C#N)c2nc(-c3ccccc3)cs2)sc(C(=O)OCCOC)c1C 2296790084 NAKPPAUFNMNLCF-UHFFFAOYSA-N 497.598 5.137 50 10 JKGE COc1ccc(NC(SCc2cccc(C)c2)=C(C#N)S(=O)(=O)c2ccccc2)cc1Cl 2297349977 JFHHHGSJQDNCQE-UHFFFAOYSA-N 485.030 6.169 50 10 JKGE CCCCCOc1ccc(C=C(C#N)C(=O)Nc2ncc(Cc3ccc(C)c(Cl)c3)s2)cc1 2297579137 UIOXIWSTTBBMKQ-UHFFFAOYSA-N 480.033 6.810 50 10 JKGE Cl[C@H](c1ccccc1OCc1ccccc1)c1cc(Br)ccc1OCc1ccccc1 2299501591 PMCUZIAEKVLQQM-HHHXNRCGSA-N 493.828 7.935 50 10 JKGE Brc1cc(OCc2ccccc2)ccc1[C@H](Br)[C@@H]1CCCOCC1 2299535207 MNJHEFXJDQPLPY-OXQOHEQNSA-N 454.202 6.281 50 10 JKGE COc1cccc(C=C(C#N)C(=O)Nc2ccccc2)c1OCc1ccc(Cl)c(Cl)c1 2313630290 DRULLWHNPPQOTO-UHFFFAOYSA-N 453.325 6.127 50 10 JKGE Fc1cc(Cl)c(Br)c(Cl)c1[C@@H](Cl)c1ccsc1Br 2313747397 YFBJENIPIVISDH-VIFPVBQESA-N 453.385 7.047 50 10 JKGE Cc1ccc(C[C@@H](Br)c2ccc(OCc3ccccc3)cc2Br)cc1 2314448269 GMPUHSIIGCEBHK-OAQYLSRUSA-N 460.209 7.015 50 10 JKGE CSc1ccccc1[C@@H](Br)c1cc(Br)ccc1OCc1ccccc1 2314449081 MZXRKTFGMOIAKR-OAQYLSRUSA-N 478.249 7.234 50 10 JKGE CCCCCOc1ccc(C=C2C(=O)N(Cc3ccccc3Cl)C(=O)C(C#N)=C2C)cc1OC 2314619921 HCQVQZGOMQOOOB-UHFFFAOYSA-N 478.976 5.710 50 10 JKGE C=CCOc1ccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)C=Cc4ccc(C)cc4)ccc32)cc1 2314634659 UKQSCAUDCDPOKM-MUUNZHRXSA-N 464.521 5.397 50 10 JKGE COc1ncc(Br)c(C)c1CN(Cc1ccccc1)[C@H](CBr)C(C)C 2319640632 AGRYGWHOBJAEAW-LJQANCHMSA-N 470.249 5.583 50 10 JKGE CC(C)(C)OC(=O)N[C@@H](Cc1ccccc1)C(=O)NN=Cc1cccc(Oc2ccccc2)c1 2328827614 DTXZPTGWRZOFTB-DEOSSOPVSA-N 459.546 5.065 50 10 JKGE COc1ccc(C=C(C#N)c2nc3ccccc3[nH]2)cc1OCc1ccc(Cl)c(Cl)c1 2331020558 YPHVITIGTGPHLH-UHFFFAOYSA-N 450.325 6.521 50 10 JKGE N#CC(=C(O)c1ccccc1C(=O)c1ccccc1)c1nc(-c2ccc(Cl)c(Cl)c2)cs1 2331311417 DHQFIXRTGSUSDE-UHFFFAOYSA-N 477.372 7.298 50 10 JKGE COc1ccc(-c2csc(C(C#N)=C(O)[C@H]3CC(=O)N([C@H](C)c4ccccc4)C3)n2)c2ccccc12 2331406482 QRQCLHSSSLMYIV-QUCCMNQESA-N 495.604 6.374 50 10 JKGE N#CC(=Cc1ccc(OCc2ccccc2Cl)cc1)c1nc(-c2c[nH]c3ccccc23)cs1 2331461931 YBWRLSHQXJOWGE-UHFFFAOYSA-N 467.981 7.588 50 10 JKGE CCOc1cc(C=C(C#N)c2nc(-c3ccc(F)c(F)c3)cs2)cc(Br)c1O 2331462749 MKYPXOJNLVLYMI-UHFFFAOYSA-N 463.303 6.019 50 10 JKGE COc1cc(C=C(C#N)c2nc(-c3c(C)cc(C)cc3C)cs2)ccc1OC(=O)c1ccccc1 2331478788 WWQONBXBAFPXJI-UHFFFAOYSA-N 480.589 7.027 50 10 JKGE FC1(F)CC2(CC([C@@H](Br)c3ccc(OCc4ccccc4)cc3Br)C2)C1 2336039516 XNGKMWHAGISTSV-LJQANCHMSA-N 486.194 7.290 50 10 JKGE Fc1c(Br)cc(Cl)c([C@H](Br)[C@@H]2CCCC2(F)F)c1Br 2337092020 KFIMKXYQIHYHOH-SSDLBLMSSA-N 485.363 6.876 50 10 JKGE Cc1csc([C@@H](Br)c2c(C)cc(Br)c(F)c2Br)c1Cl 2339675401 QTGWZNQKQAGBDC-JTQLQIEISA-N 491.445 7.167 50 10 JKGE Cc1cc(Br)c(F)c(Br)c1[C@H](Br)[C@H]1C[C@H]1C(C)(F)F 2339686227 LJTUCXXALAOWHO-NYNCVSEMSA-N 464.945 6.386 50 10 JKGE O=C(c1csc(Br)c1Br)N1[C@H]2CCCC[C@H]2C[C@@H]1CBr 2358969231 SPALBWUWLQOOQK-NGZCFLSTSA-N 486.067 5.441 50 10 JKGE C[C@@]1([C@@H](Br)c2c(Cl)cc(Br)c(F)c2Br)CCCC1(F)F 2362237800 SVTRGCXSEODAPO-RYUDHWBXSA-N 499.390 7.266 50 10 JKGE COc1c([C@@H](Br)c2cnsc2Br)cc(Br)c2c1CCC2 2362471587 WLQDMTPMUOSALZ-GFCCVEGCSA-N 482.035 5.650 50 10 JKGE FC1(F)C2(CCC2)C12CC([C@@H](Br)c1sc(Cl)cc1I)C2 2363876513 DHBNFRAAQZSEMK-OILJVLCYSA-N 493.582 6.658 50 10 JKGE Cc1cc(Br)c(F)c(Br)c1[C@H](Br)[C@@H]1CC[C@H]2C[C@H]1CO2 2365189948 ZURMQUKFYNYGSB-QISWUMQESA-N 471.002 5.910 50 10 JKGE C[C@H](Br)CN(C(=O)c1cc(Cl)ccc1I)C1CCCC1 2368859611 FMBZTQLNXBHWTK-JTQLQIEISA-N 470.576 5.113 50 10 JKGE Cc1cc(F)c(CCl)c(OCc2ccc(I)c(Br)c2)c1 2377625589 UFPDQBZSMXFAQX-UHFFFAOYSA-N 469.519 5.819 50 10 JKGE Fc1cc([C@H](Br)c2cc3sc(Br)cc3s2)c(Cl)cc1Cl 2379735423 QQALZQGWMVRTHI-ZDUSSCGKSA-N 475.029 7.656 50 10 JKGE Cc1cc(Br)cc(CCl)c1OCc1cc(I)ccc1Cl 2380453105 OKNFTMQLXKQIJK-UHFFFAOYSA-N 485.974 6.333 50 10 JKGE O=C(NC1CCCCCC1)[C@H](c1ccc(Cl)cc1)N(Cc1cccs1)C(=O)CCl 3038816 UZNMDJUJTVQPHR-NRFANRHFSA-N 453.435 5.549 50 10 JKGE CC(C)(C)c1cc(/C=N/NC(=O)COc2ccc(Cl)cc2Br)cc(C(C)(C)C)c1O 3162721 ZSEOTEAWYGACPD-RPPGKUMJSA-N 495.845 5.932 50 10 JKGE CC[C@@H](C)c1ccc(OCC(=O)NNC(=O)c2sc3ccccc3c2Cl)c(Br)c1 14832242 SPMUSKNNFHKSBU-GFCCVEGCSA-N 495.826 5.671 50 10 JKGE Cc1ccc(-c2nn(-c3ccccc3)cc2/C=N/NC(=O)[C@H](C)Oc2cccc3ccccc23)cc1 20368425 IDJCNLWNTPKWBC-VGSHQSRASA-N 474.564 5.919 50 10 JKGE COc1cc(/C=C(/C#N)c2ccccc2)ccc1OC(=O)CCCOc1ccc(Cl)cc1Cl 31901890 JRIDDJGZSHVLNW-ZHZULCJRSA-N 482.363 6.831 50 10 JKGE CCOC(=O)c1c(NC(=O)/C(C#N)=C\c2ccc(-c3ccc(F)cc3)o2)sc2c1CC[C@H](C)C2 33919862 KXYWKKQGFRNSRN-SUCHYCSPSA-N 478.545 5.994 50 10 JKGE O=C(Nc1c(Br)cc(Br)cc1Br)[C@H](Cl)c1ccccc1 37009299 HMUHEDOHNCYXBJ-GFCCVEGCSA-N 482.397 5.893 50 10 JKGE Cc1ccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4ccc(Cl)cc4Cl)ccc32)cc1 38649197 FUCUWWOTNSBGOS-QFIPXVFZSA-N 451.309 5.739 50 10 JKGE CCCCOc1cccc(C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@@H]3c2cccc(OC)c2)c1 38650219 LCGRTLFDZQOQKZ-AREMUKBSSA-N 470.525 5.311 50 10 JKGE CCc1ccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4cc([N+](=O)[O-])ccc4Cl)ccc32)cc1 38677680 FPFOEDCUYYKTCK-QHCPKHFHSA-N 475.888 5.248 50 10 JKGE COc1cccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4oc5ccc(Cl)cc5c4C)ccc32)c1 38687326 QIHUOLTYCHHTMS-DEOSSOPVSA-N 486.911 5.841 50 10 JKGE CCCCC1CCC(C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@H]3c2cccc([N+](=O)[O-])c2)CC1 38688186 ZZZMAAXGEQHQAJ-KRFIBBNCSA-N 475.545 5.715 50 10 JKGE COc1ccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4oc5ccccc5c4C)ccc32)cc1OC 38688605 IWAANMFJWSGELK-RUZDIDTESA-N 482.492 5.196 50 10 JKGE N#C/C(=C\c1ccc(-c2cc(Cl)cc(Cl)c2)o1)C(=O)Nc1ccc(OC(F)(F)F)cc1 39884769 FSTWKCYLBQKJOS-UKTHLTGXSA-N 467.230 6.698 50 10 JKGE Cc1ccccc1C(=O)N/N=C1\CCCc2oc(C(=O)Nc3cc(Cl)ccc3Cl)c(C)c21 40811523 APYKRBWXCGEELP-MTDXEUNCSA-N 470.356 5.926 50 10 JKGE CC(C)(c1ccccc1)c1ccc(OCC(=O)N/N=C/c2cccc(OCc3ccccc3)c2)cc1 40866576 GJXGXSOLGKPDTL-RUMWWMSVSA-N 478.592 6.121 50 10 JKGE C=CCc1cc(/C=N\NC(=O)CC[C@@H](O)c2ccccc2)cc(OC)c1OCc1cccc(C)c1 58892080 LHPCHJLSIWRGFA-KAECXJSPSA-N 472.585 5.275 50 10 JKGE C[C@@H](NC(=O)/C(C#N)=C/c1cc(Br)ccc1OCc1ccccc1)c1ccccc1 59224494 QYFFXKQMFXBLDP-SDLXJUDFSA-N 461.359 5.812 50 10 JKGE O=C(N/N=C/c1cc(Br)ccc1OCc1ccc(F)cc1)c1cc2ccccc2o1 59445121 AJPQCEYXFQJSDR-LGJNPRDNSA-N 467.294 5.677 50 10 JKGE O=C(N/N=C(/CSc1nc2ccccc2o1)c1ccc([N+](=O)[O-])cc1)c1ccccc1Cl 59460733 GHCMFNAYGNVACV-PLRJNAJWSA-N 466.906 5.316 50 10 JKGE N#C/C(=C(\Nc1ccccc1F)SCc1ccccc1Cl)S(=O)(=O)c1ccccc1 96482125 CNEKQSMQRSDLMC-DQRAZIAOSA-N 458.967 5.991 50 10 JKGE Cc1c(Cl)cccc1N/C(SCc1cccc(F)c1)=C(\C#N)S(=O)(=O)c1ccccc1 96482155 KFWNOQYSISZXIZ-FCQUAONHSA-N 472.994 6.299 50 10 JKGE O=C(NC1CCCCC1)[C@H](c1ccc(Cl)cc1)N(C(=O)CCCl)c1ccc(Cl)cc1 97914427 WRHZTOITBGGCTP-QFIPXVFZSA-N 467.824 6.146 50 10 JKGE CCCCCCCOc1ccc(C(=O)NNC(=O)c2ccc(NC(=O)c3ccccc3C)cc2)cc1 100153676 YSXWHMZQNCXRIG-UHFFFAOYSA-N 487.600 5.671 50 10 JKGE CCCCCCCCCCOc1ccc(C(=O)N/N=C/c2ccc(-c3cccc([N+](=O)[O-])c3)o2)cc1 100970999 AWWXQSSJOCQKOK-XHLNEMQHSA-N 491.588 7.138 50 10 JKGE Cc1ccc(N2C(=O)[C@H](Cc3ccc(F)cc3)S/C2=C(/C#N)C(=O)N[C@H](C)c2ccccc2)cc1C 101244138 ZMHVFVKPVCFDSQ-ZFKOOEFLSA-N 499.611 5.746 50 10 JKGE CCOc1ccc(N2C(=O)[C@@H](Cc3ccccc3C)S/C2=C(/C#N)C(=O)Nc2cccc(C)c2)cc1 101245676 LDJGULRANDGVRN-SJCFVWOQSA-N 497.620 5.767 50 10 JKGE Cc1ccc(-c2nc(/C(C#N)=C\c3ccc(Cl)cc3Cl)sc2NC(=O)c2ccco2)cc1 102856709 XSUDYZSNZPURKN-BOPFTXTBSA-N 480.376 7.335 50 10 JKGE Cc1ccc(-c2csc3ncnc(SCC(=O)/C(C#N)=C4/Nc5ccccc5S4)c23)cc1 103908291 DLUFPIWFPUOXLS-JWGURIENSA-N 472.620 6.281 50 10 JKGE Clc1cc2c(cc1[C@@H](Br)c1cccc(I)c1)OCCO2 109867675 VWCMWEKIDVMMEO-HNNXBMFYSA-N 465.512 5.200 50 10 JKGE COc1cc([C@@H](Br)c2cc(Br)sc2Br)ccc1C 109869945 GQQDEUCHOPQBJL-GFCCVEGCSA-N 455.009 6.074 50 10 JKGE O=c1[nH]c2cc(Br)c([C@H](Cl)c3ccc(Br)cc3Cl)cc2[nH]1 109883731 HTXKWGGYDYDYDJ-CYBMUJFWSA-N 450.945 5.363 50 10 JKGE 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 113242787 CMKAMRUVQONAPO-KVNHBMPESA-N 474.726 6.612 50 10 JKGE Fc1cc(Br)cc(C[C@H](CBr)Cc2ccccc2Br)c1 125108086 JWUMQKUNUPYHIE-LBPRGKRZSA-N 464.998 6.147 50 10 JKGE C[C@H]1COc2ccc([C@@H](Br)c3cc(Br)c(Br)s3)cc2OC1 128566856 DONQUQUGWHSUJJ-RMLUDKJBSA-N 497.046 6.165 50 10 JKGE Fc1ccc(Br)c([C@@H](Br)c2csc3c(Br)cccc23)c1 163514382 SVJZKISRQDYGPB-CQSZACIVSA-N 479.006 7.050 50 10 JKGE CCCC[Sn](CCCC)(CCCC)c1cccc(CBr)c1 203732728 AWABVHFGEHKRCV-UHFFFAOYSA-N 460.088 6.638 50 10 JKGE Clc1sc([C@H](Cl)c2cc(Br)c(Br)s2)cc1Br 227842403 FBKCWVJJZHWJTD-SSDOTTSWSA-N 485.875 7.079 50 10 JKGE O=C(NCc1cccc(CBr)c1)c1cc(Br)cc(Br)c1 232451077 WTQXTGQJILELLK-UHFFFAOYSA-N 461.979 5.037 50 10 JKGE CN(C(=O)c1cc(Br)sc1Br)[C@H]1CCCC[C@@H]1Br 234329230 MNSMLEYZKYGJKK-IUCAKERBSA-N 460.029 5.051 50 10 JKGE Cc1cc(Cl)ccc1[C@H](Br)c1cc(Br)sc1Br 235870294 JKOMOQFDWGBLGE-NSHDSACASA-N 459.428 6.719 50 10 JKGE CCOc1ccc(-c2cc(C(=O)NN=C[C@@H](C)c3ccc(OC)cc3)c3ccccc3n2)cc1 254701746 SSWOEIMWCLOJGO-LJQANCHMSA-N 453.542 5.828 50 10 JKGE N#Cc1ccc(C=NNC(=O)c2cc(-c3cccs3)nn2-c2cccc(C(F)(F)F)c2)cc1 254743421 FOMFNLJEWRKKFR-UHFFFAOYSA-N 465.460 5.255 50 10 JKGE Cc1ccc(Cn2c(SCC(=O)NN=Cc3ccc(C(F)(F)F)cc3)nc3ccccc32)cc1 254865421 BFLZBKXCHNCHKB-UHFFFAOYSA-N 482.531 5.654 50 10 JKGE COc1cc(C=NNC(=O)[C@@H](C)Oc2cccc(C)c2)ccc1OCc1ccccc1Cl 256018610 VFXQHHDHCMOXLF-GOSISDBHSA-N 452.938 5.154 50 10 JKGE BrCc1ccc2c(I)c(I)sc2c1 306660928 RDHBDCDOMCNROO-UHFFFAOYSA-N 478.918 5.005 50 10 JKGE C[C@@H](Cl)c1nc2cc(I)ccc2n1-c1ccc(OCc2ccccc2)cc1 312578803 NKODNBLLCGRXKU-OAHLLOKOSA-N 488.756 6.509 50 10 JKGE Clc1cccc([C@@H](Br)c2cc(I)cc3c2OCC3)c1Cl 380057247 DVLFJPCXVRKLLB-CYBMUJFWSA-N 483.958 6.017 50 10 JKGE Fc1ccc([C@@H](Br)c2ccccc2OCc2ccccc2)cc1Br 383743684 IRIHJDBMVFXNKZ-HXUWFJFHSA-N 450.145 6.652 50 10 JKGE BrCC(CBr)(CC[C@@H]1CCOC1)c1cccc(Br)c1 400583781 YQYLEMVEDZZGTB-GFCCVEGCSA-N 455.028 5.293 50 10 JKGE CCOc1cc(C=NNC(=O)CC[C@@H](O)c2ccccc2)cc(Cl)c1OCc1cccc(F)c1 1083937421 ZCYPCPPLDYGTFJ-HSZRJFAPSA-N 484.955 5.421 50 10 JKGE O=C(NN=C(CSc1nc2ccccc2[nH]1)c1cccc(Br)c1)c1ccccc1Cl 1084070061 ZZSWAGJTBQQZIV-UHFFFAOYSA-N 499.821 5.905 50 10 JKGE CC(=O)N(N=Cc1ccc(-c2cc(Cl)cc(Cl)c2)o1)c1c(F)c(F)c(F)c(F)c1F 1084377281 XTOGYYGTWIVIEG-UHFFFAOYSA-N 463.189 6.336 50 10 JKGE CCOc1cc(/C=C(/C#N)C(=O)Nc2sc3c(c2C#N)CCCC3)c(Br)cc1OC 1084468700 GIAXICDFJWFYDM-ZSOIEALJSA-N 486.391 5.214 50 10 JKGE CCOc1cc(/C=C(/C#N)C(=O)Nc2ccc(Cl)c(Cl)c2)ccc1OCc1ccc(F)cc1 1084538155 CQMIAGYTRDJWCH-WQRHYEAKSA-N 485.342 6.656 50 10 JKGE Cc1c(C(=O)Nc2ccccc2C(F)(F)F)oc2c1C(=NNC(=O)c1ccc(O)cc1)CCC2 1772745405 YBDHWVBONCSUGF-UHFFFAOYSA-N 471.435 5.035 50 10 JKGE CC(C)(C)c1ccc(OCCCC(=O)NN=Cc2ccc(Br)cc2)c(Br)c1 1772755496 JMSHSNMKSUZWCV-UHFFFAOYSA-N 496.243 5.818 50 10 JKGE COc1ccc(-c2nn(-c3ccc(OC)cc3)c3c2[C@@H](c2ccccc2Cl)C(C#N)=C(N)O3)cc1 1865685107 FPVPHOCVPBIFKZ-QHCPKHFHSA-N 484.943 5.428 50 10 JKGE Cc1ccc([C@H]2C(C#N)=C(N)Oc3c2c(C(F)(F)F)nn3Cc2c(F)cccc2Cl)cc1 1865685344 HGPAGPVBDOUBAB-KRWDZBQOSA-N 462.834 5.269 50 10 JKGE COc1ccc2ccccc2c1[C@H]1C(C#N)=C(N)Oc2c1c(C(F)(F)F)nn2Cc1ccccc1F 1865688101 JMEMGIPHXMEPGT-OAQYLSRUSA-N 494.448 5.469 50 10 JKGE CCc1nn(CC)c2c1[C@H](c1ccc(OCc3c(Cl)cccc3Cl)c(OC)c1)C(C#N)=C(N)O2 1865689840 XNENXTVIBMQZIM-JOCHJYFZSA-N 499.398 5.578 50 10 JKGE CCOc1cccc([C@@H]2C(C#N)=C(N)Oc3c2c(C(F)(F)F)nn3Cc2ccccc2Cl)c1 1865690472 SGHMSEFTESFHSA-GOSISDBHSA-N 474.870 5.220 50 10 JKGE CCCCCOc1ccc([C@H]2C(C#N)=C(N)Oc3c2c(CC)nn3Cc2ccccc2F)cc1 1865693994 SRKSLVUHPPSFIK-DEOSSOPVSA-N 460.553 5.420 50 10 JKGE COc1ccc(-c2nn(-c3ccccc3)c3c2[C@H](c2c[nH]c4ccccc24)C(C#N)=C(N)O3)cc1 1865699720 AXRVMSCIPPPGJE-DEOSSOPVSA-N 459.509 5.247 50 10 JKGE Cc1nn(Cc2ccccc2)c2c1[C@H](c1ccccc1OCc1ccc(Cl)cc1)C(C#N)=C(N)O2 1865701434 VPHHNZSGRCQEHO-AREMUKBSSA-N 482.971 5.690 50 10 JKGE N#CC1=C(N)Oc2c(c(-c3ccccc3)nn2-c2ccc(Cl)c(Cl)c2)[C@@H]1c1ccccc1O 1865708466 XIFADJINFJEYJS-OAQYLSRUSA-N 475.335 5.770 50 10 JKGE COc1ccc(/C=C(\C#N)C(=O)Nc2nc(-c3ccc(Br)cc3)c(C)s2)cc1OC 1866130362 QHEXRGWQNQXOEH-MHWRWJLKSA-N 484.375 5.444 50 10 JKGE CCCc1nc(Nc2ccc(SC#N)cc2)cc(N2CCC(c3nc4c(s3)CCCC4)CC2)n1 1868388289 IAUDKOGZYKMPND-UHFFFAOYSA-N 490.702 6.465 50 10 JKGE COc1c(Cl)ccc(Cl)c1/C(O)=C(\C#N)c1nc(-c2ccc3c(c2)CCCC3)cs1 1872745708 ZRSRITBDMLHFAN-PGMHBOJBSA-N 457.382 6.954 50 10 JKGE CC(C)C[C@H](/C(O)=C(\C#N)c1nc(-c2ccccc2Cl)cs1)N1C(=O)c2ccccc2C1=O 1872746527 MDUQNMAOVHGUAP-QUPCICMCSA-N 477.973 5.967 50 10 JKGE CCCOc1ccc(-c2csc(/C(C#N)=C(\O)CNC(=O)c3ccc(C(C)(C)C)cc3)n2)cc1 1872749574 XVKQGKXXGWIBDU-GYHWCHFESA-N 475.614 6.119 50 10 JKGE COc1ccc(Cl)cc1N1C[C@@H](/C(O)=C(\C#N)c2nc(-c3ccc(F)cc3)cs2)CC1=O 1872753220 MSHRYPIGVKKEDN-AEWZPABSSA-N 469.925 5.457 50 10 JKGE COc1c(C)cc(C)cc1-c1csc(/C(C#N)=C(\O)COc2cc(Cl)ccc2Cl)n1 1872754742 GTIXZUBIKIYHGG-MNDPQUGUSA-N 461.370 6.614 50 10 JKGE COc1ccc(/C=C/C(O)=C(\C#N)c2nc(-c3cc(C(C)(C)C)ccc3C)cs2)cc1OC 1872755828 IGAKHZBMPJCJKU-ARDXNMSASA-N 460.599 6.939 50 10 JKGE COc1ccc(-c2csc(/C(C#N)=C(\O)c3ccc(N(C)C)c([N+](=O)[O-])c3)n2)c2ccccc12 1872758508 DOEHMRQJNHJFCV-CLCOLTQESA-N 472.526 5.896 50 10 JKGE CCOc1ccc(-c2csc(/C(C#N)=C/c3ccc(OCc4ccccc4)c(OC)c3)n2)cc1 1872790123 MIWMXFPWFWOKGP-HZHRSRAPSA-N 468.578 6.861 50 10 JKGE COc1ccc(OC)c(-c2csc(/C(C#N)=C/c3cccc(OCc4ccccc4)c3)n2)c1 1872791531 KQUPPAITLPXUEF-FYJGNVAPSA-N 454.551 6.470 50 10 JKGE COc1cc(/C=C(\C#N)c2nc(-c3cc(Cl)ccc3Cl)cs2)ccc1OCc1ccccc1 1872795224 ULQKCKLNNSKSQJ-YBFXNURJSA-N 493.415 7.769 50 10 JKGE Cc1cccc(C(=O)N(Cc2ccccc2)[C@@H](CCl)C(C)C)c1I 1915287695 BGUXNZDBTOLEKO-SFHVURJKSA-N 455.767 5.505 50 10 JKGE CC(C)(CBr)N(Cc1ccccc1)C(=O)Cc1ccccc1I 1915784611 UAHXURZXYWPCAQ-UHFFFAOYSA-N 486.191 5.036 50 10 JKGE Cc1c(Br)sc([C@@H](Cl)c2c(Br)cnn2C)c1Br 1922880522 DXDTZNWSFFQVFY-ZETCQYMHSA-N 463.420 5.406 50 10 JKGE Cc1c(Br)sc([C@@H](Br)c2ccccc2OC(F)F)c1Br 1922886574 SHYLDBVTBFPJAU-JTQLQIEISA-N 490.989 6.667 50 10 JKGE Cc1c(Br)sc([C@@H](Br)c2occc2Br)c1Br 1922905774 CDIYQNJYDUNGRJ-ZETCQYMHSA-N 493.840 6.421 50 10 JKGE Cc1c(Br)sc([C@H](Cl)c2ccsc2S(C)(=O)=O)c1Br 1922913442 WZKVQRBFIDMVEC-MRVPVSSYSA-N 464.653 5.375 50 10 JKGE Clc1c(Br)sc(Br)c1[C@@H](Cl)c1csc2c1CCCC2 1923038734 KLCNVWRQRJVWJO-JTQLQIEISA-N 461.071 7.195 50 10 JKGE Clc1c(Br)sc(Br)c1[C@@H](Cl)c1csc2ccccc12 1923065868 IIBBTYXKYRCIIS-JTQLQIEISA-N 457.039 7.469 50 10 JKGE C[C@H](c1ccncc1Br)[C@@H](Br)c1cc(F)cc(Br)c1 1924040383 PGKWCZWQXXKDRA-XLKFXECMSA-N 451.959 5.985 50 10 JKGE Cc1cc([C@@H](Cl)c2c(Br)sc(Br)c2Br)sc1C 1924583755 OPMZAFVSHFSSHI-SECBINFHSA-N 479.484 7.042 50 10 JKGE Clc1cc([C@H](Cl)c2csc(Br)c2Br)sc1Br 1937734474 JQBZZGZBALYKHR-SSDOTTSWSA-N 485.875 7.079 50 10 JKGE CC[C@H]([C@@H](Br)c1sc(Br)c(C)c1Br)C(C)(F)F 2004478416 JVMDWTVFAOIVNP-HTRCEHHLSA-N 455.000 6.699 50 10 JKGE COc1cc(C=C(C#N)c2nc3ccccc3[nH]2)ccc1OC(=O)c1ccc(Br)s1 2042453607 SYEFNXPAAPWMQP-UHFFFAOYSA-N 480.343 5.679 50 10 JKGE CCCCCc1ccc([C@@H](Br)c2sccc2I)s1 2076628284 PLBNHRUKSPIDLJ-CYBMUJFWSA-N 455.224 6.631 50 10 JKGE CC(C)c1ccc(O)c(-n2nc(CBr)c(I)c2C(F)(F)F)c1 2079257920 DKNFEFZPIBFGGG-UHFFFAOYSA-N 489.073 5.220 50 10 JKGE COc1ccc(C[C@H](Br)c2sc(Br)cc2Br)cc1F 2112121064 MXKOHFKUIWMUKV-QMMMGPOBSA-N 472.999 6.100 50 10 JKGE C[C@H]1CCCN(Cc2cc(Br)ccc2Br)[C@H]1CCBr 2118520319 SSSYVXIRGADUCN-NHYWBVRUSA-N 454.044 5.597 50 10 JKGE C[C@H](c1cccs1)N(Cc1ccccc1)S(=O)(=O)c1cccc(CBr)c1 2123236035 DWEWFYRWDJNGHC-MRXNPFEDSA-N 450.423 5.595 50 10 JKGE CC(C)(C)OC(=O)NCCSSCCNC1CC(c2cccc(Br)c2)C1 2125293268 MCRLXQNYGMTKDN-UHFFFAOYSA-N 461.491 5.191 50 10 JKGE COc1c(C)cc(Br)cc1[C@H](Br)c1ccccc1OCc1ccccc1 2141614400 BWZJKFOUOTUQBA-OAQYLSRUSA-N 476.208 6.829 50 10 JKGE Fc1cc(Br)cc(N2CCc3ccc(Br)cc32)c1CBr 2170697278 QRORUGZBMIJXHB-UHFFFAOYSA-N 463.970 5.940 50 10 JKGE CN(C(=O)c1cc(I)ccc1Br)[C@H]1CCCCC[C@H]1Cl 2172548897 XGPIPVKGKAEIHL-KGLIPLIRSA-N 470.576 5.066 50 10 JKGE CC[C@H](C)c1ccc([C@@H](Cl)c2ccc(Br)cc2I)cc1 2207274206 ZSAIHMJVHPUIFX-APPDUMDISA-N 463.584 6.895 50 10 JKGE Cc1sc(Br)c(C)c1[C@H](Br)Cc1cccc(Br)c1 2218799232 DKEDWYXKZYTONW-GFCCVEGCSA-N 453.037 6.569 50 10 JKGE ClCc1nc2cc(Br)c(Br)cc2n1C[C@H]1C[C@H](Br)C1 2225700948 NNOQFCTYFIJZAT-ZKCHVHJHSA-N 471.418 5.474 50 10 JKGE Cc1c(Br)sc([C@@H](Br)c2c(F)ccc(Cl)c2F)c1Br 2226586731 SVZFVFVGDLBQBG-VIFPVBQESA-N 495.408 6.997 50 10 JKGE Brc1cccc(CN2C[C@H](Br)CC23CCCC3)c1Br 2232270848 LVNQGNXTTXDHNA-GFCCVEGCSA-N 452.028 5.494 50 10 JKGE CC1(C)CCC[C@@H]([C@H](Br)c2cc(Br)c(Br)cc2F)CC1 2233974969 HSPMQXLSBAHQJJ-BMIGLBTASA-N 471.046 7.393 50 10 JKGE CCCCc1ccc([C@H](Br)c2cc(Br)c(Br)s2)s1 2253419518 OQVYUMLJABZKKN-LBPRGKRZSA-N 473.093 7.162 50 10 JKGE CCc1cc([C@@H](Br)c2c(Cl)cccc2Br)sc1Br 2255971935 JPGYWTIYDBDPFH-GFCCVEGCSA-N 473.455 6.973 50 10 JKGE Cc1cc(Br)c([C@H](Cl)c2cc(Br)co2)c(C)c1Br 2258146339 HXHWHUHBCPOIPX-CYBMUJFWSA-N 457.387 6.512 50 10 JKGE FC[C@@]12CC[C@@]([C@@H](Br)c3sc(Br)cc3Br)(CO1)C2 2261547341 SWFOZIWSTWDNQB-SRVKXCTJSA-N 463.004 5.618 50 10 JKGE Brc1ccc([C@@H](Br)Cc2cc(Br)cc(Br)c2)cc1 2263451240 VRJSOPBQSMAXCU-AWEZNQCLSA-N 497.850 6.653 50 10 JKGE CCCCc1ccc([C@H](Cl)c2ccc(Br)cc2I)s1 2264368230 GHJGMEIDLOLGCG-OAHLLOKOSA-N 469.613 6.786 50 10 JKGE Fc1cccc(I)c1[C@H](Br)Cc1cccc(Cl)c1F 2267649165 AJPHPNGRYNGHOX-SECBINFHSA-N 457.483 5.902 50 10 JKGE Fc1cc(Cl)c([C@H](Br)Cc2ccc(Br)cc2)cc1Br 2270351541 ZYKAWIUBQWQKJS-LLVKDONJSA-N 471.389 6.683 50 10 JKGE CCc1ccc([C@H](Br)c2c(F)cc(Br)c(F)c2Br)o1 2272727349 SUAVVYOZLZWOFT-NSHDSACASA-N 458.922 6.130 50 10 JKGE FC1(F)CC2(C[C@@H]2[C@@H](Br)Cc2cc(Br)cc(Br)c2)C1 2277955969 ODEHLKDVPQUASG-NEPJUHHUSA-N 458.966 5.953 50 10 JKGE O=C(NCC[C@H]1CCCC[C@@H]1Br)c1ccc(Cl)c(I)c1 2283660934 FDNXIVNMBKYBMO-PWSUYJOCSA-N 470.576 5.018 50 10 JKGE C=CC[C@]1(CBr)CCCN1C(=O)c1c(Br)cccc1Br 2287744926 KMLHPJTWJQNSRA-OAHLLOKOSA-N 466.011 5.157 50 10 JKGE COCc1csc([C@H](Br)c2c(F)cc(Br)c(F)c2Br)c1 2288346791 LWVXDGBMSPIGRF-NSHDSACASA-N 490.989 6.182 50 10 JKGE Cc1ccc([C@H](Br)c2c(F)cc(Br)c(F)c2Br)c(Cl)c1 2288492345 FGXKQUKIAGKAON-LBPRGKRZSA-N 489.379 6.936 50 10 JKGE C=CCc1ccc(OCCOc2ccccc2C=C(C#N)C(=O)Nc2cccc(C)c2)c(OC)c1 2293328935 IKVCCVQSRRHJFB-UHFFFAOYSA-N 468.553 5.736 50 10 JKGE Cc1cc([N+](=O)[O-])ccc1NC(=O)C(C#N)=Cc1ccc(OC(=O)c2cccc(Cl)c2)cc1 2297551449 KWLUJNWBXWYZMG-UHFFFAOYSA-N 461.861 5.322 50 10 JKGE Brc1ccc(OCc2ccccc2)c([C@H](Br)[C@@H]2C[C@H]3CC[C@H]2C3)c1 2299493952 MMSHVMHCUOSROK-RBPRZQKGSA-N 450.214 6.900 50 10 JKGE CC[C@H](C[C@H](C)Br)NCc1ccc(I)c(Br)c1 2306220895 AUXSGMZDKOIJJI-GXSJLCMTSA-N 475.006 5.095 50 10 JKGE Cc1ccc(NC(=O)C(C#N)=Cc2cc(Cl)c(OCc3ccc(F)cc3)c(Cl)c2)cc1 2313567186 CRODKIAOQXWSFR-UHFFFAOYSA-N 455.316 6.566 50 10 JKGE Cc1ccccc1NC(=O)C(C#N)=Cc1cc(Cl)ccc1OCc1ccc(Br)cc1 2313667721 SZORCVCRFZABKU-UHFFFAOYSA-N 481.777 6.536 50 10 JKGE COc1cccc(NC(=O)C(C#N)=Cc2cc(Br)ccc2OCc2ccccc2)c1 2313671100 DTLBLHWEJUNMGQ-UHFFFAOYSA-N 463.331 5.582 50 10 JKGE C=CCNC(=O)C(C#N)=Cc1cn(-c2ccccc2)nc1-c1cccc(OCc2ccccc2Cl)c1 2314478445 LZPOINPSKAGBJJ-UHFFFAOYSA-N 494.982 5.981 50 10 JKGE Cc1c(Cl)sc(Cl)c1[C@H](Cl)c1cc(Cl)ccc1I 2314510774 DTMYZGCJGRJKME-SNVBAGLBSA-N 451.971 6.950 50 10 JKGE C[C@](CBr)(Cc1ccc(I)c(Br)c1)C1CCCC1 2325237086 OBMGZXRPWRAELK-OAHLLOKOSA-N 486.029 6.188 50 10 JKGE CCc1ccc(-c2csc(C(C#N)=C(O)c3ccc4c(c3)C(=O)N(Cc3ccco3)C4=O)n2)cc1 2331246266 UVMJYVQQAFRLGP-UHFFFAOYSA-N 481.533 5.712 50 10 JKGE N#CC(=C(O)c1ccc2c(c1)C(=O)N(CCc1ccccc1)C2=O)c1nc(-c2ccccc2)cs1 2331300986 IENIJHDNFNDZDM-UHFFFAOYSA-N 477.545 5.599 50 10 JKGE N#CC(=C(O)c1ccccc1I)c1nc(-c2ccc(Cl)c(Cl)c2)cs1 2331311870 HPFASYWFQPJJFH-UHFFFAOYSA-N 499.160 6.671 50 10 JKGE N#CC(=C(O)c1ccc2c(c1)C(=O)N(Cc1ccccc1)C2=O)c1nc(-c2ccc(F)c(F)c2)cs1 2331351730 TVIBELAOWTYIHD-UHFFFAOYSA-N 499.498 5.834 50 10 JKGE Cc1cc(OCC(O)=C(C#N)c2nc(-c3ccc(Oc4ccccc4)cc3)cs2)ccc1Cl 2331358944 IFPFSRLBNNLXHR-UHFFFAOYSA-N 474.969 7.436 50 10 JKGE N#CC(=C(O)CCc1nc2ccccc2[nH]c1=O)c1nc(-c2cc(Cl)ccc2Cl)cs1 2331405512 QQRNVOMSQXXOBE-UHFFFAOYSA-N 469.353 5.779 50 10 JKGE CCCCOc1ccc(C=C(C#N)c2nc(-c3ccc(OC)c(OC)c3OC)cs2)cc1 2331491510 MKJCZTXXQXWMSF-UHFFFAOYSA-N 450.560 6.079 50 10 JKGE Cc1cc(Br)c(F)c(Br)c1[C@H](Br)[C@H]1CCC[C@@H](F)C1 2339682381 RSOOXDUOYVAVHV-YGOYTEALSA-N 460.982 6.623 50 10 JKGE Cl[C@H]1CCCCCCC[C@H]1Cc1ccc(I)c(Br)c1 2349778400 KRVWVQSLTZEWCB-ZFWWWQNUSA-N 455.605 6.564 50 10 JKGE BrCc1cc(Br)cc(Br)c1OCc1snnc1C1CC1 2361118600 XMHNDFBXCJPNJZ-UHFFFAOYSA-N 483.023 5.414 50 10 JKGE COc1c(Br)cc(C)c([C@H](Br)[C@@]23CC[C@@H](CO2)C3)c1Br 2365217586 GEZMCXZKSFXKDY-NKZPBKNFSA-N 469.011 5.534 50 10 JKGE COc1c(F)cc([C@@H](Cl)c2ccc(I)c(Br)c2)cc1F 2370459776 JCCIEFWBLYNXTG-ZDUSSCGKSA-N 473.482 5.669 50 10 JKGE CC(C)(C)Oc1ccc([C@@H](Cl)c2csc(I)c2)cc1Br 2381318157 WZTVHTXHXNTHKC-CQSZACIVSA-N 485.612 6.621 50 10 JKGE N#CC1=C2SCN(c3cccc(Cl)c3)CN2C(=O)C[C@@H]1c1ccc(Br)cc1 9693403 ZUHWPFVHXGWZHQ-QGZVFWFLSA-N 460.784 5.322 50 10 JKGE CC(C)(C)c1ccc(C(=O)Nc2ccc(C(=O)N/N=C/c3cc(Br)ccc3O)cc2)cc1 12491758 GHIIEFYQAHYXRB-JFLMPSFJSA-N 494.389 5.468 50 10 JKGE Cc1ccc(C(C)C)c(OCc2ccc(C(=O)N/N=C3\CCSc4ccc(F)cc43)cc2)c1 12538714 HGMXEDUVFYPSHT-RMLRFSFXSA-N 462.590 6.466 50 10 JKGE CCn1c2ccccc2c2cc(/C=N/NC(=O)COc3ccc(Br)cc3)ccc21 12582531 HDVGKPFYMVJBOR-AFUMVMLFSA-N 450.336 5.106 50 10 JKGE CCn1c2ccccc2c2cc(/C=N/NC(=O)COc3ccc(Cl)cc3Br)ccc21 13986013 VGEPAXYFSLWTSL-LGJNPRDNSA-N 484.781 5.759 50 10 JKGE C[C@H](Oc1ccc(OCc2ccccc2)cc1)C(=O)N/N=C/c1ccc(-c2ccc([N+](=O)[O-])cc2)o1 20311483 MQQAPGAFUNOJOO-XTFCHBONSA-N 485.496 5.351 50 10 JKGE Cc1cccc(C)c1N/C(SCc1ccc(F)cc1)=C(/C#N)S(=O)(=O)c1ccccc1 20325031 TXIPKHROSFFDFU-ZNTNEXAZSA-N 452.576 5.954 50 10 JKGE CCCCC1CCC(C(=O)Oc2ccc(/C=C(/C#N)c3ccc(OC)c(OC)c3)cc2OC)CC1 31902086 GLEPAQIJNXWULG-JLPGSUDCSA-N 477.601 6.679 50 10 JKGE N#C[C@@H](Cl)Cc1ccccc1C(=O)Nc1ccc(Br)cc1C(=O)c1ccccc1 33809932 XVRMBAGOLKOHMU-SFHVURJKSA-N 467.750 5.606 50 10 JKGE CCCCCCOc1ccc(/C=C2/C(=O)N(Cc3ccccc3Cl)C(=O)C(C#N)=C2C)cc1OC 38608775 OCFNUFBXFKBAJK-PXLXIMEGSA-N 493.003 6.100 50 10 JKGE CCOc1c(Cl)cc(C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@@H]3c2ccccc2F)cc1Cl 38652121 DNPWDNWTZZMAAI-JOCHJYFZSA-N 499.325 5.969 50 10 JKGE Cc1cccc(OCC(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@H]3c2cccc3ccccc23)c1 38657780 ANOWUCWIUOFOHF-NDEPHWFRSA-N 462.505 5.351 50 10 JKGE Cc1c(C(=O)N2CCCC[C@@H]2C)oc2c1/C(=N/NC(=O)c1ccc(-c3ccccc3)cc1)CCC2 40822532 MLMZIRLVNILVDW-RKBINYIWSA-N 469.585 5.740 50 10 JKGE Cc1ccc(COc2ccccc2/C=N/NC(=O)CSc2nc(-c3ccccc3)cs2)cc1 40924517 QOVWHQWHRVOUMV-JFLMPSFJSA-N 473.623 5.940 50 10 JKGE C[C@@H](Oc1ccc(C(C)(C)C)cc1)C(=O)N/N=C/c1cn(Cc2ccccc2)c2ccccc12 40961652 CRIFDWNZCRHGHW-OPKDQHMBSA-N 453.586 5.905 50 10 JKGE C=CCn1c(CCc2ccccc2)nnc1SCC(=O)N/N=C/c1cccc(Oc2ccccc2)c1 58987377 MCNCQWVVYDBNHE-ZTKZIYFRSA-N 497.624 5.284 50 10 JKGE CCOc1cc(/C=N/NC(=O)c2cc3ccccc3o2)c(Br)cc1OCc1ccccc1 59304298 VOZGLRLMAGGYPP-JFLMPSFJSA-N 493.357 5.937 50 10 JKGE COc1ccc(N2C(=O)[C@H](Cc3cccc(Cl)c3)S/C2=C(/C#N)C(=O)Nc2ccccc2)cc1 101244589 AAYIOCNBUFOYSC-YDYXIROLSA-N 489.984 5.414 50 10 JKGE CC(C)(C)C1CCC([C@@H](Br)c2cc(Br)ccc2Br)CC1 109844851 YSGVIKAYVAXJIX-ZEPSKSRBSA-N 467.083 7.500 50 10 JKGE CCOc1ccccc1[C@@H]1C(C#N)=C(N)Oc2cc(OC(=O)/C=C\c3ccc(C)cc3)ccc21 205642071 PXAKVGCJERJDOC-AOIOFWHBSA-N 452.510 5.231 50 10 JKGE CC1=C(C#N)C(=O)N(C2CCCCC2)C(=O)/C1=C\c1cn(-c2ccccc2)nc1-c1ccc(C)cc1 214362874 DHYAURPYTCYIHK-ONUIUJJFSA-N 476.580 5.773 50 10 JKGE Cc1sc(Br)cc1[C@@H](Br)c1cccc(Br)c1Cl 228453574 OVHRROXAWDSRBY-NSHDSACASA-N 459.428 6.719 50 10 JKGE Clc1ccc(I)c([C@H](Br)c2cc(Cl)cc3c2OCC3)c1 236084356 VXMZXEOLFWCYMK-AWEZNQCLSA-N 483.958 6.017 50 10 JKGE CCCCCCCCOc1ccc(C=NNC(=O)[C@H](O)c2ccc(Br)cc2)cc1 252611193 IHJHBBRDKJDQCT-JOCHJYFZSA-N 461.400 5.372 50 10 JKGE CCCCCCOc1ccc(OCCOc2ccccc2C=NNC(=O)c2ccccc2)cc1 254441392 QQTSPVKGRILRHU-UHFFFAOYSA-N 460.574 5.867 50 10 JKGE BrCc1cc(Br)cc(Br)c1OCCSc1ccccc1 312839200 VSDLGYIDNAJQDZ-UHFFFAOYSA-N 481.047 6.278 50 10 JKGE O=C(Nc1cccc(CCBr)c1)c1cc(Cl)ccc1I 313182853 WRIZRQARWWEUIH-UHFFFAOYSA-N 464.528 5.134 50 10 JKGE O=C(OCc1ccccc1)N1C[C@H](c2ccc(Cl)c(F)c2)[C@@H](CI)C1 382697671 BLEBEYSZLKBCSJ-JKSUJKDBSA-N 473.713 5.266 50 10 JKGE Fc1cc2c(cc1I)nc(CCl)n2C[C@@H]1CCCN1Cc1ccccc1 390465359 AFVMNMHVMSUIAJ-HNNXBMFYSA-N 483.756 5.183 50 10 JKGE Fc1ccc([C@H](Br)c2c(Br)cc(F)c(F)c2F)cc1Br 398740657 QGARCOCYKIOFQM-NSHDSACASA-N 476.887 6.252 50 10 JKGE FC(F)(F)c1csc([C@H](Br)c2nscc2Br)c1Br 404803845 LNYAPOIZRMYLCX-ZCFIWIBFSA-N 485.970 6.233 50 10 JKGE C=C1CC[C@H](O[Si](C)(C)C(C)(C)C)C/C1=C/C=C1/CCC[C@]2(C)[C@@H]1CC[C@@H]2[C@@H](C)CCCC(C)C 504233581 DWIUSINKAVTSCC-QDBBDXHSSA-N 498.912 10.649 50 10 JKGE CN(C(=O)OC(C)(C)C)c1ccccc1[C@H]1CCCCN(CCO[Si](C)(C)C(C)(C)C)C1 616603262 FFXOXIOVWVKWOQ-NRFANRHFSA-N 462.751 6.649 50 10 JKGE Brc1scnc1[C@H](Br)c1ccc(Br)c2ccccc12 698655976 UJCBEKMAIKSQIP-GFCCVEGCSA-N 462.004 6.306 50 10 JKGE C[C@@H]1CC[C@](C)([C@@H](Br)c2cc(Br)ccc2Br)C1(C)C 699052884 YTAGIBJICRAFJB-FUEDEBDSSA-N 453.056 7.110 50 10 JKGE O=C1Cc2cc([C@H](Cl)c3scc(Br)c3Br)c(Cl)cc2N1 705446927 CXNQQSIIQQZRET-LBPRGKRZSA-N 455.986 5.749 50 10 JKGE CN(C[C@H]1CCCCN1Cc1ccccc1)c1cc(Br)ccc1CBr 720016436 JWQFUVSHOQQPPW-HXUWFJFHSA-N 466.261 5.835 50 10 JKGE COc1cc(/C=C\C(=O)Cl)cc(Br)c1OCc1cccc(Br)c1 1081475879 HHZFNXGSVFVENC-WAYWQWQTSA-N 460.549 5.578 50 10 JKGE CCOc1cc(C=NNC(=O)c2cc3cc(Br)ccc3o2)cc(Cl)c1OC 1084099564 OMOFGSFJQCXAOV-UHFFFAOYSA-N 451.704 5.020 50 10 JKGE CCOC(=O)COc1ccc(Br)cc1/C=C(\C#N)C(=O)Nc1cccc(Cl)c1Cl 1084156925 KLMTTXFXDMYPCX-MDWZMJQESA-N 498.160 5.243 50 10 JKGE N#C/C(=C/c1cccc(OCc2ccc(Br)cc2)c1)C(=O)Nc1ccc(Cl)cc1 1084541779 CYJLHWOANHISAT-PDGQHHTCSA-N 467.750 6.227 50 10 JKGE Cc1cccc(NC(=O)c2oc3c(c2C)C(=NNC(=O)c2ccccc2Br)CCC3)c1 1772743949 MAFKGRFTLOSVRL-UHFFFAOYSA-N 480.362 5.382 50 10 JKGE CCc1ccc(OCCCC(=O)NN=Cc2c(OC)ccc3ccccc23)c(Br)c1 1772755428 HHJPSHFNEATCEV-UHFFFAOYSA-N 469.379 5.483 50 10 JKGE CCCOc1ccc([C@H]2C(C#N)=C(N)Oc3c2c(C)nn3Cc2ccccc2Cl)cc1OCC 1865688290 ONRGXXKIBOSPFO-DEOSSOPVSA-N 478.980 5.299 50 10 JKGE CCCCOc1ccc([C@@H]2C(C#N)=C(N)Oc3c2c(C)nn3-c2ccc(Cl)c(Cl)c2)cc1 1865691878 DDDIVLXRUQFOKS-JOCHJYFZSA-N 469.372 5.885 50 10 JKGE CCOc1ccc([C@@H]2C(C#N)=C(N)Oc3c2c(C(F)(F)F)nn3-c2cccc(Cl)c2)cc1OC 1865695583 QCIANNRSUNATJY-GOSISDBHSA-N 490.869 5.170 50 10 JKGE N#CC1=C(N)Oc2c(c(-c3ccccc3)nn2Cc2cccc(Cl)c2)[C@@H]1c1ccccc1C(=O)O 1865704490 XDDGWVIZESTZNX-JOCHJYFZSA-N 482.927 5.168 50 10 JKGE N#CC1=C(N)Oc2c(c(-c3ccccc3)nn2-c2ccc(Cl)cc2)[C@H]1c1ccccc1C(=O)O 1865704570 YXAWKJTWBSGBIY-NRFANRHFSA-N 468.900 5.109 50 10 JKGE CC(C)Oc1ccccc1[C@H]1C(C#N)=C(N)Oc2c1c(-c1ccccc1)nn2Cc1cccc(Cl)c1 1865704851 GAFJAFGXZUXYNH-VWLOTQADSA-N 496.998 6.257 50 10 JKGE Cc1ccc([C@H](C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)Nc2ccc(SC#N)cc2)C(C)C)cc1 1866952854 ZKLALEMDPPSYNA-IZZNHLLZSA-N 487.625 5.380 50 10 JKGE N#CSc1ccc(Nc2cc(N3CCC[C@H]3Cc3ccc(Cl)cc3)nc(-c3cccnc3)n2)cc1 1868565046 GNQURRQKQLEIME-QHCPKHFHSA-N 499.043 6.720 50 10 JKGE O=c1c(-c2ccc(Cl)cc2)c(C(F)(F)F)oc2cc(OCc3ccc(CCl)cc3)ccc12 1871437777 BXKUMFCCSRGKNP-UHFFFAOYSA-N 479.281 7.450 50 10 JKGE COc1c(C)cc(C)cc1-c1csc(/C(C#N)=C(\O)CCCN2C(=O)c3ccccc3C2=O)n1 1872754705 FGPXXEXIUGHBIT-XDOYNYLZSA-N 473.554 5.305 50 10 JKGE Cc1ccc(-c2csc(/C(C#N)=C(\O)c3ccc4c(c3)C(=O)N(CC(C)C)C4=O)n2)cc1C 1872756051 BQUNMZVHNFBPAH-LNVKXUELSA-N 457.555 5.629 50 10 JKGE COc1cc(OC)c(OC)cc1/C=C(\C#N)c1nc(-c2ccc(-c3ccccc3)cc2)cs1 1872782714 QNRKMVBIDVMNAZ-LPYMAVHISA-N 454.551 6.567 50 10 JKGE C[C@H]1C([C@H](Br)c2c(Br)sc(Br)c2Br)[C@@H]1C 1894085940 KRTUVOLRWKQCFV-FXFZYULNSA-N 481.873 6.374 50 10 JKGE Cc1cc([C@@H](Br)c2c(C)nsc2Br)c(C)cc1Br 1912971696 BUBLEWGXMQJVDX-GFCCVEGCSA-N 454.025 6.078 50 10 JKGE CC[C@@H](Br)CN(Cc1ccccc1)c1ccc(S(=O)(=O)C(F)(F)F)cc1 1915081727 HROBHMPHTONWQH-OAHLLOKOSA-N 450.320 5.160 50 10 JKGE O=C(c1cc(C(F)(F)F)ccc1Br)N(Cc1ccccc1)[C@H](CCl)C1CC1 1915176707 MRURITLTWSNXKG-GOSISDBHSA-N 460.721 6.128 50 10 JKGE Cc1c(Br)sc([C@H](Br)c2ccccc2C(C)C)c1Br 1922920155 DAVWNYLTMFJDGL-CYBMUJFWSA-N 467.064 7.189 50 10 JKGE COc1ccc([C@@H](Br)c2sc(Br)c(C)c2Br)cc1C 1922933524 XAERKXYLQBXOIO-GFCCVEGCSA-N 469.036 6.383 50 10 JKGE Clc1cc(Br)cc([C@@H](Cl)c2sc(Br)cc2Br)c1 1922940003 JXHALJJUGRGSAT-SNVBAGLBSA-N 479.846 7.017 50 10 JKGE Brc1cc(Br)c([C@H](Br)c2ccc3ccccc3c2)s1 1922953206 ARQIONAFTDTDPU-CQSZACIVSA-N 461.016 6.911 50 10 JKGE Clc1c(Br)sc(Br)c1[C@H](Br)[C@@H]1[C@@H]2CCOC[C@H]21 1923072351 OIYHLIHYQKDWFV-UAKXSSHOSA-N 465.432 5.645 50 10 JKGE C[C@@H](c1ccncc1Br)[C@H](Br)c1ccc(Br)cc1Cl 1924037733 BNHPNEVUULEGEO-RTHLEPHNSA-N 468.414 6.500 50 10 JKGE CCO[C@@H]1C[C@H]1[C@H](Br)c1c(Br)sc(Br)c1Br 1924609364 WLDGERLELOWCOO-XAHCXIQSSA-N 497.872 5.897 50 10 JKGE CCN(C[C@](C)(CI)O[C@@H]1CC[C@@H]2CC[C@H]1C2)C(=O)OC(C)(C)C 1947119612 BZYOLKSGHLLMDH-GGXPGOJBSA-N 451.389 5.032 50 10 JKGE O=C(O)C[C@@H](CCCC[C@@H]1CCSS1)CNC(=O)OCC1c2ccccc2-c2ccccc21 1951422494 HWVZIFZCLZSZOR-RTBURBONSA-N 485.671 6.330 50 10 JKGE Cc1nc(C(=O)N(Cc2ccccc2)[C@@H](CBr)C2CC2)c(Br)s1 1980605340 NGHYRCWKFNTHMD-AWEZNQCLSA-N 458.219 5.030 50 10 JKGE CCc1nc([C@@H](Cl)c2cc(Br)ccc2Br)c(Br)s1 2050333472 DWZUKDDJUQQLQK-JTQLQIEISA-N 474.443 6.321 50 10 JKGE Cc1sc(Br)c([C@@H](Br)c2cc(Cl)ccc2Br)c1C 2082883826 ICXVMRDEBBYBTQ-LBPRGKRZSA-N 473.455 7.028 50 10 JKGE Cc1cc([C@H](Br)Cc2ccccc2I)c(Cl)cc1F 2087569269 FGFBYLSNFFJDAI-GFCCVEGCSA-N 453.520 6.071 50 10 JKGE CN(C(=O)c1cccc(Br)c1Br)[C@@H](CBr)C(C)(C)C 2092332004 AFNCOYSPGIHVPL-NSHDSACASA-N 456.016 5.093 50 10 JKGE Cl[C@H](c1cc(C2CC2)c(Br)s1)c1c(Br)cccc1Br 2094668144 DKYWDMKEPVEEHY-CYBMUJFWSA-N 485.466 7.241 50 10 JKGE Cc1cc(Br)c([C@@H](Br)C23CC(C)(C2)O[C@H]3C)cc1Br 2100455149 PYWNWDHKUNLFGN-VXWAXNFESA-N 453.012 5.914 50 10 JKGE Cc1cc([C@H](Br)c2scc(C(F)(F)F)c2Br)sc1Cl 2109073379 QNSJAABGURGETN-QMMMGPOBSA-N 454.558 7.037 50 10 JKGE Brc1ccc(Br)c(CN2CC[C@@H](Br)CC23CCC3)c1 2118519164 GZULHRPEXMKNCM-CYBMUJFWSA-N 452.028 5.494 50 10 JKGE CC12CC([C@@H](Br)c3c(Br)sc(Br)c3Cl)(C1)C(C)(C)O2 2121885346 IPVSAJAGLQWDEK-LHKGTJRUSA-N 493.486 6.710 50 10 JKGE Cc1c(Br)ccc([C@@H](Br)c2c(Cl)cccc2Cl)c1Br 2138853400 QGCVATDNIZXITC-CQSZACIVSA-N 487.844 7.311 50 10 JKGE C[C@]1(F)CN(c2c(CBr)ccc(Br)c2Cl)C[C@@]1(C)Br 2140745118 YJXOGDUVZQAVIV-OLZOCXBDSA-N 478.425 5.699 50 10 JKGE Fc1ccc([C@@H](Br)c2csc(Br)c2Br)c2ccccc12 2150342275 UHMKAJROQLLEAT-CYBMUJFWSA-N 479.006 7.050 50 10 JKGE C[C@H]1CN(Cc2ccccc2)C[C@H](C)C1n1c(CCl)nc2cc(I)ccc21 2155550525 DIYMLOLKQQUIFX-HOTGVXAUSA-N 493.820 5.709 50 10 JKGE CC1(C)CCC[C@@](CBr)(Cc2c(Br)cccc2Br)CC1 2157075005 HYSZSYHOWAUPKB-KRWDZBQOSA-N 467.083 7.126 50 10 JKGE CCC(CC)(CBr)CN1CC[C@@H](C(F)(F)F)[C@H](CNC(=O)OC(C)(C)C)C1 2163058921 OWMUXFPMFWTHDU-HUUCEWRRSA-N 459.391 5.213 50 10 JKGE O=C(c1csc(Br)c1Br)N1CCC[C@@]2(CBr)CCC[C@@H]12 2165282584 FZFBQBBSYFLBRZ-QMTHXVAHSA-N 486.067 5.443 50 10 JKGE Clc1cc(Br)cnc1C[C@@H](CBr)Cc1ccc(Br)cc1 2183589356 BKXFWGMMDAEBMV-NSHDSACASA-N 482.441 6.056 50 10 JKGE Cc1cc(Br)c(C)c([C@H](Br)C2C[C@H]3CC[C@H](C2)C3)c1Br 2201066965 GNACCCDHLWUBQR-NVGCLXPQSA-N 465.067 7.091 50 10 JKGE COc1cc(F)c([C@@H](Br)c2cccc(C)c2Br)cc1Br 2202902783 VNUVQVPXVSOXJM-HNNXBMFYSA-N 466.970 6.152 50 10 JKGE COc1cc(F)c(F)cc1[C@H](Br)c1cccc(F)c1I 2204505305 AIIGOIVGCYCUAC-CYBMUJFWSA-N 457.027 5.201 50 10 JKGE COC1CC2(C1)CC(CBr)(Cc1ccc(I)c(Cl)c1)C2 2208034727 YZGLLKVDKVCLPJ-UHFFFAOYSA-N 469.588 5.457 50 10 JKGE Cc1cccc([C@H](Cl)Cc2sc(Br)c(Br)c2Br)c1 2222473867 UHTGBLAYHUEZKE-SECBINFHSA-N 473.455 6.867 50 10 JKGE Fc1cc(Br)c(Br)cc1[C@H](Br)CC1CC2(CCC2)C1 2225615277 FPXHZXXTHCHRPS-LLVKDONJSA-N 455.003 6.757 50 10 JKGE Cc1cc(C)c([C@H](Br)c2cc(Br)c(C)s2)c(C)c1Br 2226081556 FHXAPWGBENZARW-OAHLLOKOSA-N 467.064 6.991 50 10 JKGE Cn1nc(Br)c([C@H](Br)c2cc(Cl)c(Cl)c(Cl)c2Cl)n1 2226987071 NYZDMASTEFVFTD-RXMQYKEDSA-N 468.791 5.676 50 10 JKGE CCOCc1cc(Br)c([C@H](Br)Cc2ccccc2Br)s1 2233033161 YKJZTDRNORFJBB-CYBMUJFWSA-N 483.063 6.488 50 10 JKGE ClCc1nc2cc(Br)c(Br)cc2n1Cc1cc(Br)cs1 2234066023 KZDWYPVOTJZXSF-UHFFFAOYSA-N 499.453 6.172 50 10 JKGE Cc1cc(Br)c([C@@H](Br)c2ccc(F)c(Cl)c2)c(C)c1Br 2235604658 OTASWACIZXKYPM-HNNXBMFYSA-N 485.416 7.105 50 10 JKGE Cc1c([C@@H](Br)c2c(F)cc(F)c(Br)c2F)c(Br)nn1C 2236115691 WDGGMRUBFLJFRL-SNVBAGLBSA-N 476.916 5.155 50 10 JKGE Cc1cc(Br)c([C@@H](Br)c2cc(Br)cs2)c(C)c1F 2253515424 CJAUXBLRLINHDW-LBPRGKRZSA-N 457.000 6.513 50 10 JKGE Cc1cc(F)c([C@@H](Br)c2c(F)cccc2I)cc1Cl 2267735844 GETDXMBBDRALCW-CQSZACIVSA-N 457.483 6.016 50 10 JKGE Fc1cc(C[C@H](Br)c2cc(I)ccc2F)ccc1Cl 2277916856 QBRZBFUFTJWRKS-NSHDSACASA-N 457.483 5.902 50 10 JKGE Cc1c(NC(=O)C(C#N)=Cc2ccc(-c3cc(Cl)ccc3Cl)o2)c(=O)n(-c2ccccc2)n1C 2294818827 XXVLIZSZTOUQJL-UHFFFAOYSA-N 493.350 5.597 50 10 JKGE Fc1cc(F)c([C@H](Br)Cc2cc(Br)cc(Br)c2)cc1F 2295273842 CNVXTGBMXLBGPF-LLVKDONJSA-N 472.924 6.308 50 10 JKGE CCc1ccc(NC=C(C#N)c2nc(-c3cc4cc(Br)ccc4oc3=O)cs2)cc1 2295894343 NYEKBEZRFAUKHZ-UHFFFAOYSA-N 478.371 6.218 50 10 JKGE CCCCCCOc1ccc(-c2nn(-c3ccccc3)cc2C=C(C#N)C(=O)NC[C@H]2CCCO2)cc1 2296705039 IEZKWPJIXXCADC-MUUNZHRXSA-N 498.627 5.701 50 10 JKGE N#CC(=Cc1cccc(Oc2ccccc2)c1)c1nc(-c2cccs2)c(NC(=O)c2ccco2)s1 2296717937 RSVBRBVCEUFLFW-UHFFFAOYSA-N 495.585 7.573 50 10 JKGE COc1cccc(NC(SCc2cccc([N+](=O)[O-])c2)=C(C#N)C(=O)NCc2ccccc2)c1 2297414598 VLFUPQWNRPHBIO-UHFFFAOYSA-N 474.542 5.000 50 10 JKGE CCCCCOc1ccc(C=NNC(=O)c2cc3ccccc3cc2O)cc1Br 2297710729 KYXIKMITXHJBPF-UHFFFAOYSA-N 455.352 5.641 50 10 JKGE CCc1cc([C@H](Br)c2csc(C)c2Br)sc1Br 2303643329 CWXPZBWCDOMJJK-LLVKDONJSA-N 459.066 6.690 50 10 JKGE Cc1ccc(COc2ccc(Br)cc2C=C(C#N)C(=O)Nc2cccc([N+](=O)[O-])c2)cc1 2313730475 VMCRDENMVWLCGL-UHFFFAOYSA-N 492.329 5.790 50 10 JKGE Cc1ccc(N2C(=O)[C@H](Cc3ccccc3F)SC2=C(C#N)C(=O)N[C@H](C)c2ccccc2)cc1C 2314593117 HTCAHFJSCYROTG-IBVKSMDESA-N 499.611 5.746 50 10 JKGE CCOc1ccc(-c2nn(-c3ccccc3)cc2C=C2C(=O)N(CC(C)C)C(=O)C(C#N)=C2C)cc1 2314611305 SQSCOEMTKXTSPI-UHFFFAOYSA-N 480.568 5.186 50 10 JKGE COc1ccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)C=Cc4ccc(Cl)cc4)ccc32)c(OC)c1 2314634570 JMGZVSUIBBJOBE-SANMLTNESA-N 488.927 5.194 50 10 JKGE CCOc1ccc(C=C(C#N)C(=O)Oc2ccc(C=C(C#N)c3ccc(Cl)cc3)cc2OC)cc1 2314734987 LWSOEQANZADOHN-UHFFFAOYSA-N 484.939 6.324 50 10 JKGE C[C@@H]1C[C@H]1CC[C@H](Br)c1c(Cl)cc(Br)c(F)c1Br 2315445737 AEWHVAPMVDAKJY-PRJMDXOYSA-N 463.410 6.876 50 10 JKGE C[C@H]([C@@H](Br)c1c(Cl)cc(Br)c(F)c1Br)C(C)(F)F 2315458615 ORBOVROUNQCAMK-SPGJFGJESA-N 473.352 6.731 50 10 JKGE Cc1sc(C)c([C@H](Br)c2c(Br)c(Br)nn2C)c1C 2316726352 NRIQKQDUDPCPLQ-VIFPVBQESA-N 457.029 5.416 50 10 JKGE COc1ccc(C(C#N)=Cc2ccc(OC(=O)c3cccc(Br)c3)c(OC)c2)cc1 2320506915 UPRAHIFEMVLOGQ-UHFFFAOYSA-N 464.315 5.750 50 10 JKGE Cc1cc(Cl)c([C@@H](Cl)c2sc(Cl)cc2I)c(Cl)c1 2327896322 OAUDRSJJQNPUSK-LLVKDONJSA-N 451.971 6.950 50 10 JKGE COc1cc(C=CC(O)=C(C#N)c2nc(-c3cccc([N+](=O)[O-])c3)cs2)ccc1OC(C)=O 2331232862 RNDZREKBLZKXEH-UHFFFAOYSA-N 463.471 5.158 50 10 JKGE C[C@@H](Oc1ccc(Cl)cc1Cl)C(O)=C(C#N)c1nc(-c2ccc(F)cc2F)cs1 2331293113 SMHFQKCYPIXXRN-SNVBAGLBSA-N 453.297 6.655 50 10 JKGE COc1ccc(-c2csc(C(C#N)=C(O)CCCOc3ccc(C(C)(C)C)cc3)n2)cc1F 2331336270 ZRFNMPQIRXHXKN-UHFFFAOYSA-N 466.578 6.907 50 10 JKGE C[C@H](Oc1ccc(Cl)cc1Cl)C(O)=C(C#N)c1nc(-c2cccc3ccccc23)cs1 2331339390 DGBYFIPGOHMPNC-AWEZNQCLSA-N 467.377 7.530 50 10 JKGE N#CC(=C(O)CCCOc1ccc(Cl)cc1Cl)c1nc(-c2cccc3ccccc23)cs1 2331339504 MMIVKACYTBDCKR-UHFFFAOYSA-N 481.404 7.922 50 10 JKGE COc1cc(C=CC(O)=C(C#N)c2nc(-c3c[nH]c4ccccc34)cs2)ccc1OC(C)=O 2331346883 LFCFBAGBYTXULJ-UHFFFAOYSA-N 457.511 5.731 50 10 JKGE COc1c(Cl)ccc(Cl)c1C(O)=C(C#N)c1nc(-c2ccc(Oc3ccccc3)cc2)cs1 2331358975 LUBXHIVHOPOKCA-UHFFFAOYSA-N 495.387 7.868 50 10 JKGE COc1ccc(-c2csc(C(C#N)=C(O)CCCOc3ccc(Cl)cc3Cl)n2)cc1Cl 2331399511 SATVIOTXLOKVOG-UHFFFAOYSA-N 495.815 7.431 50 10 JKGE COc1cc(C)c(-c2csc(C(C#N)=C(O)C=Cc3cc(OC)c(OC)c(OC)c3)n2)cc1C 2331402793 RJPHRHKFAKDSGZ-UHFFFAOYSA-N 478.570 5.967 50 10 JKGE COC(=O)c1c(NC(=O)CCCOc2ccc(Cl)cc2Cl)sc(C(C)=CC#N)c1C 2331562260 YWBHSWCGMCVYMK-UHFFFAOYSA-N 467.374 5.875 50 10 JKGE CC[C@H](Oc1cc(Br)cc(I)c1)c1nc(CCl)cs1 2338674511 RSZIUVQEHZWNFG-LBPRGKRZSA-N 472.573 5.779 50 10 JKGE Cc1cc([C@H](Br)c2c(Br)c(Br)nn2C)c(F)cc1F 2338862273 WKVLHHGDPYXHFK-VIFPVBQESA-N 458.926 5.016 50 10 JKGE Cc1c([C@@H](Cl)c2c(Br)sc(Br)c2Cl)ccc(Cl)c1Cl 2339046313 RRWZXPZZGXCZFK-SECBINFHSA-N 483.867 7.870 50 10 JKGE COc1c(Br)cc(C)c([C@H](Br)[C@H]2C[C@H]2C(F)F)c1Br 2339656911 SEGJMESDQHOYFZ-NYNCVSEMSA-N 462.954 5.866 50 10 JKGE Clc1ccccc1C(CBr)(CBr)Cc1nc(Br)cs1 2342913608 BAPNJBUEKIWNMY-UHFFFAOYSA-N 488.470 5.829 50 10 JKGE ClCC[C@H]1CCCC[C@H]1NCc1ccc(I)c(Br)c1 2349849918 DBUAVDCLYNZHOB-IUODEOHRSA-N 456.593 5.331 50 10 JKGE Cl[C@H]1C[C@H](OCc2ccc(I)c(Br)c2)C12CCCC2 2350039659 NTYAQNJQFZYLBZ-KBPBESRZSA-N 455.561 5.510 50 10 JKGE CC1(C)CCC[C@@]12[C@@H](Oc1cc(Br)cc(Br)c1)C[C@H]2Br 2364222825 MQSLCWVNYKILKN-IJEWVQPXSA-N 467.039 6.323 50 10 JKGE Cn1nc(Br)c(Br)c1[C@H](Br)c1ccc(C(C)(C)C)cc1 2364228136 IZZACDYAYFSXAN-LLVKDONJSA-N 465.027 5.727 50 10 JKGE Cc1cc(Br)c(F)c(Br)c1[C@H](Br)c1cscc1C(F)F 2365189838 YYBGNCMRZIPQLM-SNVBAGLBSA-N 492.980 7.143 50 10 JKGE Cc1cc(Br)c(F)c(Br)c1[C@H](Cl)Cc1ccccc1Br 2365191045 KSWNIKWPOCALAI-GFCCVEGCSA-N 485.416 6.944 50 10 JKGE CCC[C@@H](C(C)C)[C@H](Br)c1c(C)cc(Br)c(OC)c1Br 2365192674 WXALRQZTZKHAMF-FZMZJTMJSA-N 471.071 7.037 50 10 JKGE COc1c(Br)cc(C)c([C@H](Br)[C@]2(C)CCCOC2)c1Br 2365193460 IHBVZELHNMHNDG-LSDHHAIUSA-N 471.027 5.781 50 10 JKGE Clc1ccc(CO[C@@H](CBr)c2ccccc2Cl)c(I)c1 2365651522 ARTHICGWMQTBIF-HNNXBMFYSA-N 485.974 6.251 50 10 JKGE Cl[C@H]1C[C@@H](OCc2cc(I)ccc2Br)C12CCCCC2 2367602430 SHEJPOLMUFOZFQ-LSDHHAIUSA-N 469.588 5.901 50 10 JKGE ClCc1nc2cccc(Br)c2n1Cc1sc(Cl)cc1Br 2369942251 SXKMQDQOVDPMEE-UHFFFAOYSA-N 455.002 6.063 50 10 JKGE COc1ccc(OCc2cc(I)ccc2Cl)c(CBr)c1 2380523988 WLBHHHFCDRJGJF-UHFFFAOYSA-N 467.528 5.427 50 10 JKGE COc1cc(/C=C(/C#N)c2ccccc2OC)ccc1OC(=O)c1cccc(Br)c1 31901936 FZAMFWXOUWKHAJ-PDGQHHTCSA-N 464.315 5.750 50 10 JKGE CCCCOc1ccc(/C=C(/C#N)C(=O)Nc2ncc(Cc3ccc(Cl)c(Cl)c3)s2)cc1 33795642 NOUBHGGFGGZHHA-WQRHYEAKSA-N 486.424 6.765 50 10 JKGE C[C@@H](Oc1ccccc1F)C(=O)Oc1ccc2c(c1)OC(N)=C(C#N)[C@@H]2c1ccc(Cl)cc1Cl 38655425 FRVFKMUPPWPQEO-JCQPUDPBSA-N 499.325 5.724 50 10 JKGE Cc1cc(OCC(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@H]3c2cccc3ccccc23)ccc1Cl 38657855 QCNZOONVHGLAGZ-NDEPHWFRSA-N 496.950 6.004 50 10 JKGE CCc1ccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4oc5cc(C)c(C)cc5c4C)ccc32)cc1 38700443 ZHZHWCGDVUGQRO-HHHXNRCGSA-N 478.548 6.358 50 10 JKGE Cc1ccc2[nH]c(-c3ccc4ccccc4n3)c(CCCC(=O)NNC(=O)c3ccccc3Cl)c2c1 39867313 MPASZPHSWBZNHD-UHFFFAOYSA-N 496.998 6.129 50 10 JKGE COc1cccc(C(=O)N/N=C2\CCCc3oc(C(=O)N4c5ccc(F)cc5CC[C@@H]4C)c(C)c32)c1 40822200 KTJBTMAJGTXLHJ-ZBMKCLDASA-N 489.547 5.188 50 10 JKGE O=C(N/N=C/c1cc(Br)ccc1O)c1ccc(OCc2ccc(Cl)cc2Cl)cc1 48572592 MTNRHLIXNWMCDG-OPEKNORGSA-N 494.172 5.804 50 10 JKGE Cc1cc(/C=N/NC(=O)c2cc3ccccc3o2)c(C)n1-c1ccc(OCc2ccccc2)cc1 59304379 KOUWBEPVSKDTIM-UXHLAJHPSA-N 463.537 6.183 50 10 JKGE CC(C)(C)c1ccc(Oc2ccc(/C=C(/C#N)C(=O)NCCc3ccccc3)cc2[N+](=O)[O-])cc1 95949620 WLMIDHPOJAILHV-XLNRJJMWSA-N 469.541 5.950 50 10 JKGE COc1ccc(CN2C(=O)C(C#N)=C(C)/C(=C\c3ccc(OCc4ccccc4Cl)cc3)C2=O)cc1 101340076 ZMJYLTLIGSOCEP-MFKUBSTISA-N 498.966 5.720 50 10 JKGE CC(C)CCOCCC(CBr)(CBr)c1cccc(Br)c1 118878738 CAMGZYJPDMVJFB-UHFFFAOYSA-N 471.071 5.930 50 10 JKGE COCCc1ccc([C@H](Br)c2cc(Br)ccc2Br)cc1 161079900 KYHSBZCQZQZVJW-INIZCTEOSA-N 463.007 5.885 50 10 JKGE CCCCCOc1ccc(/C=N/NC(=O)c2ccc3[nH]c(-c4ccccc4)nc3c2)cc1OC 169926878 YBGIZJGNTPOLOC-MTDXEUNCSA-N 456.546 5.571 50 10 JKGE COc1ccc([C@H](C)N/C=C(/C#N)C(=O)Nc2ccc(Cl)c(C(F)(F)F)c2)cc1OC 217249382 QWCAQWXZEQPKMU-PBBNAPBQSA-N 453.848 5.073 50 10 JKGE O=[N+]([O-])c1cc(Br)c(Oc2ncccc2CBr)c(Br)c1 232483481 HDEMAAWYYXDLQM-UHFFFAOYSA-N 466.911 5.202 50 10 JKGE Clc1ccc(I)c([C@H](Br)c2ccc3c(c2)CCCC3)c1 236084409 VVEMIZIFMAJHQQ-QGZVFWFLSA-N 461.568 6.308 50 10 JKGE Fc1cc(Br)c(Cl)cc1[C@H](Br)c1cccc(Br)c1F 236231200 OMWSEFJWFUEXKD-GFCCVEGCSA-N 475.352 6.628 50 10 JKGE 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 254352903 QICKSUTUHBCJRE-LELWMDILSA-N 470.694 6.716 50 10 JKGE Cc1ccc(C(C)C)c(OCC(=O)NN=Cc2cccc(Oc3ccc([N+](=O)[O-])cc3[N+](=O)[O-])c2)c1 254738040 ZSUJDINWRSDOKZ-UHFFFAOYSA-N 492.488 5.256 50 10 JKGE CCCCCCCC(=O)Nc1ccc(C(=O)NN=CC(c2ccccc2)c2ccccc2)cc1 254869798 LDHPKCNUTXVECP-UHFFFAOYSA-N 455.602 6.533 50 10 JKGE Clc1cc([C@H](Br)c2ccccc2OCc2ccccc2)sc1Br 309886171 ZHGKGRHQKURUGU-QGZVFWFLSA-N 472.629 7.227 50 10 JKGE FC(F)(F)c1csc([C@H](Br)c2ccc(Cl)c(Cl)c2)c1Br 312858789 QINDHNFNASQHBU-SECBINFHSA-N 468.947 7.321 50 10 JKGE C[C@@H](Cl)c1nc2c(Br)cccc2n1CCCN(Cc1ccccc1)Cc1ccccc1 390683628 YUTYZVNBDMTMCL-HXUWFJFHSA-N 496.880 7.191 50 10 JKGE Cc1cc([C@@H](Br)c2cccc(OCc3ccccc3)c2)sc1Br 390817048 NHUCYZYIDKUYPX-SFHVURJKSA-N 452.211 6.882 50 10 JKGE CC(C)(C)[Si](C)(C)OCCc1ccc([C@H]2CN(CCO[Si](C)(C)C(C)(C)C)CCO2)cc1 616647627 WXKJFYVIWJDNRR-XMMPIXPASA-N 479.854 6.646 50 10 JKGE CC(C)(C)[Si](C)(C)OCc1ccc([C@H]2COCCCN2S(=O)(=O)c2ccccc2)cc1 616649337 VKTFQGJGVZKHBO-HSZRJFAPSA-N 461.700 5.361 50 10 JKGE Brc1cc2c(c([C@H](Br)c3ccsc3Br)c1)OCCC2 698588804 OAHARJKWGFRRRG-GFCCVEGCSA-N 467.020 6.082 50 10 JKGE COc1ccc([C@@H](Cl)c2scc(Br)c2Br)c(Br)c1 705439475 QXEHCEZHTJGVRF-LLVKDONJSA-N 475.427 6.372 50 10 JKGE FC1(F)CCC[C@H]1C[C@H](Br)c1cc(Br)c(Br)s1 713930820 MJRXSMODELZXRI-BQBZGAKWSA-N 452.984 6.535 50 10 JKGE Clc1cnccc1C[C@@H](Cl)c1ccc(I)c(Br)c1 721575664 AOZBPDPVOHALLX-LLVKDONJSA-N 456.936 5.625 50 10 JKGE COc1ccc(Cl)cc1NC(=O)C(=O)NN=Cc1cc(C)n(-c2cc(Cl)cc(Cl)c2)c1C 725412982 DXPJAJABFMWXLW-UHFFFAOYSA-N 493.778 5.152 50 10 JKGE O=C(NN=Cc1ccc(OC(=O)c2ccccc2Br)cc1)c1ccc(Cl)cc1 1081085464 VKLNUNAJXNCPNH-UHFFFAOYSA-N 457.711 5.086 50 10 JKGE Cc1cc([N+](=O)[O-])ccc1-n1c(C)cc(/C=C(\C#N)C(=O)Nc2cccc(Cl)c2Cl)c1C 1084187585 QIFCGCVZWDTTRR-GZTJUZNOSA-N 469.328 6.163 50 10 JKGE O=C(NN=Cc1ccc(Cl)cc1Cl)c1ccc([C@@H]2Nc3ccccc3[C@@H]3C=CC[C@@H]32)cc1 1084561570 GIMMOLPHFIGUNM-XTJBDQBJSA-N 462.380 6.584 50 10 JKGE O=C(O)c1ccc(COc2ccc(C=NNC(=O)c3cc4cc(Br)ccc4o3)cc2)cc1 1084626945 HWTREJSVHYJEOI-UHFFFAOYSA-N 493.313 5.236 50 10 JKGE CCCCOc1ccc(NC(=O)c2oc3c(c2C)C(=NNC(=O)c2ccc(F)cc2)CCC3)cc1 1772744214 BGEDOYPBFAWXIT-UHFFFAOYSA-N 477.536 5.629 50 10 JKGE CC(C)c1ccc([C@@H]2C(C#N)=C(N)Oc3c2c(C(F)(F)F)nn3-c2cccc(Cl)c2)cc1 1865685459 JDJIMOYSBSCKQZ-GOSISDBHSA-N 458.871 5.886 50 10 JKGE N#CC1=C(N)Oc2c(c(C(F)(F)F)nn2-c2cccc(Cl)c2)[C@H]1c1ccccc1Cl 1865686088 RARPDJDXPRZRMI-HNNXBMFYSA-N 451.235 5.416 50 10 JKGE N#CC1=C(N)Oc2c(c(C(F)(F)F)nn2Cc2ccccc2Cl)[C@H]1c1cc(Cl)ccc1O 1865689582 TVAFQVDUMFPBPV-INIZCTEOSA-N 481.261 5.181 50 10 JKGE CCCOc1c(OC)cccc1[C@@H]1C(C#N)=C(N)Oc2c1c(C(F)(F)F)nn2-c1ccc(C)cc1 1865694005 SUDNEVJMONBCTP-LJQANCHMSA-N 484.478 5.215 50 10 JKGE COc1cc([C@H]2C(C#N)=C(N)Oc3c2c(-c2ccccc2)nn3CC(C)C)ccc1OC(C)C 1865697311 PYCPXZJLHBHXOI-QHCPKHFHSA-N 458.562 5.220 50 10 JKGE CCc1nn(-c2ccc(Cl)cc2)c2c1[C@@H](c1ccc(OC(C)C)c(OC)c1)C(C#N)=C(N)O2 1865697387 RAQXEZOMKZAHCY-QFIPXVFZSA-N 464.953 5.102 50 10 JKGE Cc1nc(NC(=O)/C(C#N)=C/c2ccc(Br)cc2)sc1C(=O)Nc1ccccc1 1866128702 HJGBPUNSDBJHAS-RVDMUPIBSA-N 467.348 5.012 50 10 JKGE CCCCc1ccc(-c2csc(/C(C#N)=C(\O)c3cc(OC)c(OC)c(OC)c3)n2)cc1 1872745247 ZMDCVVADKBWQJF-NMWGTECJSA-N 450.560 6.128 50 10 JKGE COc1ccc(-c2csc(/C(C#N)=C(\O)c3ccccc3I)n2)cc1F 1872752575 JYWJQNAGRWSRTK-AQTBWJFISA-N 478.286 5.512 50 10 JKGE COc1c(Cl)cc(Cl)cc1-c1csc(/C(C#N)=C(\O)c2ccc(C(C)(C)C)cc2)n1 1872754080 BJJRHPHTZZXSDR-JZJYNLBNSA-N 459.398 7.373 50 10 JKGE Cc1cc(C)c(-c2csc(/C(C#N)=C(\O)CCN3C(=O)c4cccc([N+](=O)[O-])c4C3=O)n2)c(C)c1 1872755751 DOKGDSNKRDKUIB-JZJYNLBNSA-N 488.525 5.123 50 10 JKGE Cc1ccc(C(C)(C)C)cc1-c1csc(/C(C#N)=C(\O)[C@H](C)Oc2ccc(Cl)cc2)n1 1872756087 RBPLKJLHHHRMCN-FRKCRFBYSA-N 453.007 7.330 50 10 JKGE COc1ccc(-c2csc(/C(C#N)=C(O)/C=C/c3ccc(OC(C)=O)c(OC)c3)n2)cc1Cl 1872757579 MMJKOFOXTMCMON-SRJXWNLSSA-N 482.945 5.912 50 10 JKGE COc1cccc(/C=C(\C#N)c2nc(-c3ccc4ccccc4c3)cs2)c1OCc1cccc(C)c1 1872782540 LVXDZWGQWAREAH-WPWMEQJKSA-N 488.612 7.924 50 10 JKGE COc1ccc(C)cc1-c1csc(/C(C#N)=C/c2ccc(OC(=O)c3ccccc3)cc2)n1 1872791322 DJGHSMFXRIFESL-RCCKNPSSSA-N 452.535 6.411 50 10 JKGE COc1cc(/C=C(\C#N)c2nc(-c3ccc4c(c3)OCCO4)cs2)ccc1OC(=O)c1ccccc1 1872792426 YNWSHUYKTWSCFK-FYJGNVAPSA-N 496.544 5.873 50 10 JKGE COc1cc(-c2csc(/C(C#N)=C/c3cc(OC)c(O)c(OC)c3)n2)c(OC)cc1Cl 1872793522 DSUFTNLMYVENMY-WLRTZDKTSA-N 458.923 5.268 50 10 JKGE CCCOc1ccc(/C=C(\C#N)c2nc(-c3ccc(OC)c(Cl)c3)cs2)cc1OCC 1872794453 CDGFBYFHAIPCMU-WOJGMQOQSA-N 454.979 6.724 50 10 JKGE CCCOc1ccc(-c2csc(/C(C#N)=C(\O)[C@@H]3CC(=O)N(C(C)(C)C)C3)n2)cc1OCCC 1872817862 AOAASCZENXGIPD-LTXLMFNASA-N 483.634 5.827 50 10 JKGE Clc1cc(I)c([C@H](Br)[C@H]2C[C@H]2Br)s1 1888109154 YXVNCYUPLSYIPG-PJVAAEDRSA-N 456.368 5.226 50 10 JKGE Clc1ccc(CC[C@H](Br)COCc2ccccc2)c(I)c1 1889666870 NISIMXSCHXIJIA-HNNXBMFYSA-N 479.583 5.858 50 10 JKGE Cc1nsc(Br)c1[C@H](Cl)c1sc(Cl)cc1I 1900921131 ZOVCAUAIENTNFF-ZETCQYMHSA-N 468.994 5.862 50 10 JKGE CC[C@H](Br)CN(Cc1ccccc1)S(=O)(=O)c1ccc(Cl)c(C(F)(F)F)c1 1915088042 FAWKMYZCPVORAV-AWEZNQCLSA-N 484.765 5.723 50 10 JKGE C[C@H](CCBr)N(Cc1ccccc1)C(=O)c1cc(Cl)cc(Br)c1 1915130664 NVJSAFRSTBKLHJ-CYBMUJFWSA-N 459.609 5.918 50 10 JKGE CC(C)(CBr)N(Cc1ccccc1)C(=O)c1ccc(Cl)cc1Br 1915739030 UXMJUNQEVSLDLC-UHFFFAOYSA-N 459.609 5.918 50 10 JKGE CN(C[C@H](Br)COCc1ccccc1)c1ncc(Br)c2ccsc12 1916332856 LSPLGLJQIRSNDH-AWEZNQCLSA-N 470.230 5.475 50 10 JKGE Cc1c(Br)sc([C@@H](Cl)c2cc3ccc(F)cc3s2)c1Br 1922895868 AEHIGKBILAVSLG-LBPRGKRZSA-N 454.611 7.264 50 10 JKGE CC[C@@]1([C@H](Br)c2c(Br)sc(Br)c2Cl)CCCO1 1923067709 HKBNEWIQBFGESE-KCJUWKMLSA-N 467.448 6.322 50 10 JKGE COc1cc(Br)ccc1[C@@H](Br)[C@H](C)c1ccncc1Br 1924038367 DAASDAFXEKJEFX-PSLIRLAXSA-N 463.995 5.855 50 10 JKGE Cc1csc([C@@H](Br)c2c(Cl)sc(Cl)c2Cl)c1Br 1950881714 JIVAGZDNWXOSIP-LURJTMIESA-N 455.451 7.325 50 10 JKGE CCc1sc(Br)cc1[C@H](Br)c1c(C)cccc1Br 2030223946 WATHCDIOICAUOD-AWEZNQCLSA-N 453.037 6.628 50 10 JKGE BrCc1ccc(N2CC[C@@]3(CCN(Cc4ccccc4)C3)C2)c(Br)c1 2044885427 RNJKOIIWLUPFRB-OAQYLSRUSA-N 464.245 5.446 50 10 JKGE CN(C(=O)c1cc(Br)c(Br)s1)C1(CBr)CCCC1 2050799255 YDGAVNYRBFTLAM-UHFFFAOYSA-N 460.029 5.053 50 10 JKGE CC(C)[C@@H]1CCC[C@H]1[C@H](Br)c1c(Br)sc(Br)c1Cl 2056450728 SZDWOQMWEXYBEQ-XKSSXDPKSA-N 479.503 7.435 50 10 JKGE Cc1cc(Br)c(C)c([C@H](Br)c2csnc2C)c1Br 2081059719 JKASNZVRIRBACA-CYBMUJFWSA-N 454.025 6.078 50 10 JKGE Clc1c(Br)cccc1C[C@@H](Br)c1cccc(Br)c1 2081411558 IXJLDSIQVQJAQE-CYBMUJFWSA-N 453.399 6.544 50 10 JKGE N#CC(=Cc1ccccc1)C(=O)N1CC[C@H](c2ccc(F)cc2)[C@@H](COc2ccc3c(c2)OCO3)C1 2085405236 KDEKSZQMVPOIOG-ZEQKJWHPSA-N 484.527 5.173 50 10 JKGE COc1ccc([C@H](Br)c2sncc2Br)c(OC)c1Br 2088927698 QELHEGVFQYWCEZ-VIFPVBQESA-N 471.996 5.170 50 10 JKGE BrCc1cc(Br)c(OCCCCCC2CC2)c(Br)c1 2089035191 SVPBLMFGEIXBQX-UHFFFAOYSA-N 455.028 6.456 50 10 JKGE CCc1cc(Br)c([C@H](Br)c2ccc(Br)cc2OC)s1 2089709931 RRAPOOFVRGCWDH-CYBMUJFWSA-N 469.036 6.328 50 10 JKGE BrC[C@]1(Cc2cccc(Br)c2Br)CC12CCCCC2 2100467079 KASWZDJHTRMYPD-INIZCTEOSA-N 451.040 6.490 50 10 JKGE C[C@@H](Cl)c1nc2cc(I)ccc2n1CC1(Br)CCC1 2111901506 XPRJZJQERGAKGE-SECBINFHSA-N 453.549 5.258 50 10 JKGE ClCCc1nc2cc(Cl)c(Br)cc2n1[C@@H]1CC[C@H]1OCc1ccccc1 2112696792 PTQOISWMBTTXPZ-IEBWSBKVSA-N 454.195 6.154 50 10 JKGE Fc1ccc(I)cc1[C@@H](Cl)c1cc(Br)c(Cl)cc1F 2113351435 PDJXQSJMYJKDFY-CYBMUJFWSA-N 477.901 6.314 50 10 JKGE CCCn1ncc(Br)c1C[C@@H](Br)c1cccc(Br)c1 2113488233 AYZZILDIVXGFLP-GFCCVEGCSA-N 451.000 5.497 50 10 JKGE CN(Cc1cccc(Br)c1Br)C1(CBr)CCCCC1 2113917845 NVWYQTSICAZPBS-UHFFFAOYSA-N 454.044 5.741 50 10 JKGE BrC[C@@]1(Cc2cccc(Br)c2Br)CCCC12CCC2 2117002250 WWTFHNPMNGFBSV-INIZCTEOSA-N 451.040 6.490 50 10 JKGE F[C@H]1[C@@H](Br)C[C@H]2CC[C@H]1N2Cc1c(Br)cccc1Br 2134122162 JMEQJTANSGFRSG-XAGKMFGPSA-N 455.991 5.050 50 10 JKGE Cc1cc(Br)c(C)c([C@H](Br)C[C@@]23CCC[C@@H]2C3)c1Br 2136379672 MXUWICKCPGNBMG-KFNAQCHYSA-N 451.040 6.845 50 10 JKGE Cc1cc(Cl)c(Br)cc1[C@H](Br)c1ccc(Br)cc1F 2137644421 XTHDFTRQZYVCIR-CQSZACIVSA-N 471.389 6.797 50 10 JKGE Cc1c(Br)ccc([C@@H](Br)[C@@H]2C(F)(F)C23CCC3)c1Br 2138863520 MGQLOHMUQFFPEB-NEPJUHHUSA-N 458.966 6.391 50 10 JKGE Cc1c(Br)ccc([C@H](Br)CCC2CCCCC2)c1Br 2138876517 QFAZUZXDGKKQLT-OAHLLOKOSA-N 453.056 7.317 50 10 JKGE CCC[C@@H]1CN(Cc2ccc(I)c(Cl)c2)C[C@@H]1CBr 2142952948 LNQZTWWWACFHIA-OLZOCXBDSA-N 456.593 5.188 50 10 JKGE Cc1c(Br)c(C[C@@H](CBr)Cc2ccc(Br)cc2)nn1C 2150237452 LVVFZJKRQAUYRM-LBPRGKRZSA-N 465.027 5.050 50 10 JKGE Cn1nc([C@H](Br)c2csc3c(Br)cccc23)c(Cl)c1Cl 2150716661 DDHLTBJKAGKSRT-SECBINFHSA-N 455.002 6.188 50 10 JKGE Clc1c(Br)cccc1CC(CBr)(CBr)C1CCOCC1 2166832442 OAYFXUYMVIQARR-UHFFFAOYSA-N 489.473 5.848 50 10 JKGE Clc1cc2c(cc1[C@H](Br)c1cc(I)sn1)OCCCO2 2176535739 BGQBSYFQAKYMSO-ZDUSSCGKSA-N 486.556 5.047 50 10 JKGE Clc1c(Br)sc(Br)c1[C@H](Cl)[C@H]1C[C@H]1C1CCCCCC1 2199991672 VLGYMSUBGZNIQJ-JBLDHEPKSA-N 461.090 7.813 50 10 JKGE CCc1ccc([C@@H](Br)c2c(C)c(Br)cc(C)c2Br)cc1 2201073920 PBQHKNWHKBGRAS-QGZVFWFLSA-N 461.035 6.875 50 10 JKGE Cc1cc(Br)c(C)c([C@H](Br)[C@@]2(C)CCCC2(F)F)c1Br 2201080401 XXRAJVLOKKQMIG-UONOGXRCSA-N 475.009 7.090 50 10 JKGE COc1c(Cl)cc(Br)cc1[C@@H](Br)c1ccc(Br)cc1F 2203003288 MELLFNJLBIGOCD-ZDUSSCGKSA-N 487.388 6.497 50 10 JKGE Cc1c(Br)ccc([C@H](Br)c2ccc3sncc3c2)c1Br 2203688125 SCIKUPNUIPYPBU-OAHLLOKOSA-N 476.031 6.614 50 10 JKGE C[C@@H]1[C@H](Cl)CCC[C@H]1c1sc(Br)c(Br)c1Br 2212198108 MJKHPAOWZODWDN-RRKCRQDMSA-N 451.449 6.547 50 10 JKGE Cc1cc([C@H](Cl)c2cc(Br)c(Br)cc2F)sc1Br 2218595934 BXOJSXJFFYBWGQ-LLVKDONJSA-N 477.418 6.811 50 10 JKGE Brc1cscc1[C@H](Br)c1ccc2c(c1Br)CCO2 2222195287 JCCQTEICOFBYSJ-CYBMUJFWSA-N 452.993 5.692 50 10 JKGE Fc1cc(Br)c(Br)cc1[C@H](Br)C[C@@H]1CCCC1(F)F 2225615908 AVOGPDKAYNAKMV-IONNQARKSA-N 464.945 6.612 50 10 JKGE Cc1nc([C@H](Cl)c2c(Br)cc(C)c(Br)c2C)c(Br)s1 2227352201 OZRTUBXTSDMZCM-LLVKDONJSA-N 488.470 6.684 50 10 JKGE Fc1cc(F)c([C@H](Cl)c2ccc(I)cc2)c(F)c1Br 2227798640 BALOIAYPAIDDRM-GFCCVEGCSA-N 461.446 5.799 50 10 JKGE CS(=O)(=O)C1([C@H](Br)c2c(Br)cc(Cl)c(Cl)c2Cl)CCC1 2232514038 SSWFNJMGYZCKLN-LLVKDONJSA-N 485.452 5.813 50 10 JKGE CC(C)(C1CCCCC1)[C@@H](Br)c1cc(Br)c(Br)cc1F 2233974556 FWQXKTBELHPWJZ-HNNXBMFYSA-N 471.046 7.393 50 10 JKGE CC1(C)CCC[C@@H]([C@H](Br)c2c(Br)cc(Cl)c(Cl)c2Cl)O1 2235163094 XRTLEVGEBIJVDQ-ONGXEEELSA-N 465.440 7.193 50 10 JKGE CC(C)(C)OC(=O)N1CCC[C@@](CI)(OCc2ccccc2C(F)(F)F)C1 2236066271 XTJLJWFQLBARSU-SFHVURJKSA-N 499.311 5.427 50 10 JKGE Fc1cc(Br)c(F)c(Br)c1[C@H](Cl)[C@H]1C[C@@H](Br)C1 2250747736 PRSKWMQSLJBEFO-MIBFAWTQSA-N 453.346 5.943 50 10 JKGE COc1ccc([C@H](Cl)c2ccc(Br)cc2F)cc1I 2269539078 CXGSVRVEKZHGEU-AWEZNQCLSA-N 455.492 5.530 50 10 JKGE CN(Cc1cccc(I)c1)c1ccc(F)c(Cl)c1CBr 2280277451 VSOHOWHRPBGNEG-UHFFFAOYSA-N 468.535 5.615 50 10 JKGE COc1ccc([C@H](Br)c2cc(F)cc(Br)c2)c(Br)c1Cl 2283560309 CMQUWFQRTIFKLL-GFCCVEGCSA-N 487.388 6.497 50 10 JKGE COc1ccc([C@H](Br)c2cc(Br)c(Br)s2)c2c1CCC2 2284611231 ZEHDUPDFAMXTDZ-AWEZNQCLSA-N 481.047 6.255 50 10 JKGE Fc1cc(Br)c(F)c(Br)c1[C@H](Br)[C@@H]1[C@H]2CCC(F)(F)[C@@H]21 2288484277 QZIDBFPFIUNXIB-VZNVGLHMSA-N 480.919 6.217 50 10 JKGE N#CC(=Cc1cccc2ccccc12)c1nc(-c2cc3c(ccc4ccccc43)oc2=O)cs1 2296785500 TUOZPVDAKVGPJJ-UHFFFAOYSA-N 456.526 7.287 50 10 JKGE CCc1cccc(CC)c1NC(SCc1cccc(Cl)c1)=C(C#N)S(=O)(=O)c1ccccc1 2297349938 DWAQWGVIZBLFJE-UHFFFAOYSA-N 497.085 6.977 50 10 JKGE COc1cccc(NC(SCc2c(F)cccc2Cl)=C(C#N)C(=O)NCc2ccccc2)c1 2297414525 CATBBYHSPBIVML-UHFFFAOYSA-N 481.980 5.885 50 10 JKGE CCCCOc1ccc(-c2nn(-c3ccccc3)cc2C=C(C#N)C(=O)Nc2ccc(F)cc2)cc1F 2297488320 JMKTXHWATVDHEI-UHFFFAOYSA-N 498.533 6.542 50 10 JKGE CCNC(=O)C(C#N)=Cc1cn(-c2ccccc2)nc1-c1ccc(OCc2ccccc2F)cc1 2314414783 MDIZRBIXBWCRLE-UHFFFAOYSA-N 466.516 5.300 50 10 JKGE C[C@@H]1C[C@@H]2C[C@@H]2C[C@@H]1[C@H](Br)c1ccc(OCc2ccccc2)cc1Br 2314438873 CIDZIPKUWZRAIR-UPKZKSNJSA-N 464.241 7.146 50 10 JKGE CCOc1ccc(N2C(=O)[C@H](Cc3ccccc3)SC2=C(C#N)C(=O)N[C@H](C)c2ccccc2)cc1 2314593649 QLESHEFLPOKSLV-IBVKSMDESA-N 497.620 5.389 50 10 JKGE CCc1sc(NC(=O)C(C#N)=Cc2ccccc2OC)nc1-c1ccc(Br)cc1 2314793664 WXEOIRYTRIHVSP-UHFFFAOYSA-N 468.376 5.689 50 10 JKGE Clc1cc(I)c([C@H](Br)[C@H]2C[C@@H]2c2ccccc2)s1 2316597883 XFGGWATYWPCEMD-GBIKHYSHSA-N 453.570 6.246 50 10 JKGE C[C@@H](Oc1ccc(Cl)cc1Cl)C(=O)Oc1ccc(C=C(C#N)c2ccccc2F)cc1 2320506910 UODWYTIRGPYXGS-OAHLLOKOSA-N 456.300 6.570 50 10 JKGE CCN(CC)c1ccc(NC=C(C#N)C(=O)N2CCN(C(c3ccccc3)c3ccccc3)CC2)cc1 2324607226 WDYVQEJUIPESCF-UHFFFAOYSA-N 493.655 5.286 50 10 JKGE CCOc1ccc(C)cc1[C@@H](C)NC=C(C#N)C(=O)Nc1ccc(I)cc1C 2325406008 IICBSZAVDRWRBV-MRXNPFEDSA-N 489.357 5.004 50 10 JKGE CC(C)OC(=O)c1ccc(C(C#N)=Cc2ccc(OCc3ccc(Cl)c(Cl)c3)cc2)o1 2331049721 LSSPNUFYOZMTGA-UHFFFAOYSA-N 456.325 6.795 50 10 JKGE CCOc1ccc(C=C(C(O)=C(C#N)c2nc(-c3ccc(F)c(F)c3)cs2)c2ccccc2)cc1 2331351812 BSLBQCPMCPWDQE-UHFFFAOYSA-N 486.543 7.520 50 10 JKGE COc1c(C)cc(C)cc1-c1csc(C(C#N)=C(O)C(=Cc2ccccc2)c2ccccc2)n1 2331371921 SHBBMIURWAYVLA-UHFFFAOYSA-N 464.590 7.469 50 10 JKGE CCc1cccc(C)c1N1C[C@@H](C(O)=C(C#N)c2nc(-c3cc(C)cc(C)c3OC)cs2)CC1=O 2331373273 UEGAUCXHXQUYSR-FQEVSTJZSA-N 487.625 6.152 50 10 JKGE CCc1ccc(OCCCC(O)=C(C#N)c2nc(-c3cc(Cl)c(OC)cc3OC)cs2)cc1 2331378619 IHMYHYLEPYXNCN-UHFFFAOYSA-N 485.005 6.695 50 10 JKGE Cc1cc(-c2csc(C(C#N)=Cc3c(OCc4ccccc4)ccc4ccccc34)n2)ccc1F 2331449196 WYGRQQNLCBIAJV-UHFFFAOYSA-N 476.576 8.054 50 10 JKGE COc1ccc(-c2csc(C(C#N)=Cc3ccc(OCc4ccccc4)c(OC)c3)n2)cc1Cl 2331480893 NWAUKGCTOPVLIZ-UHFFFAOYSA-N 488.996 7.124 50 10 JKGE CCCCOc1ccc(C=C(C#N)c2nc(-c3ccc(OC)c4ccccc34)cs2)cc1OC 2331489254 MRGCIFBOCMAHJS-UHFFFAOYSA-N 470.594 7.224 50 10 JKGE Fc1ccc([C@H](Br)c2c(Cl)cc(Br)c(F)c2Br)cc1 2337112321 CXKDKTIZWQWZAO-NSHDSACASA-N 475.352 6.628 50 10 JKGE COc1ccccc1C[C@@H](CBr)Cc1sccc1I 2338639069 YPYNYSXHVIPAEZ-LLVKDONJSA-N 451.167 5.158 50 10 JKGE Cc1cc(Br)c(F)c(Br)c1[C@H](Br)[C@H]1C[C@@]12CCOC2 2339681808 MANFCBOLWRUDCL-XPLICSAQSA-N 456.975 5.522 50 10 JKGE Cc1cc(Br)c([C@H](Br)[C@@H]2CC[C@@H]2C(C)(C)C)cc1Br 2343234639 ZONIFLFMQHPFCV-IFUGULHKSA-N 453.056 7.028 50 10 JKGE Clc1ccc(I)cc1CN1C[C@H](Br)CC2(CCC2)C1 2352421027 KSAWLKFYRLWDCK-GFCCVEGCSA-N 454.577 5.084 50 10 JKGE Cc1ccc([C@H](CBr)OCc2cc(Br)cc(Br)c2)cc1 2362241645 YVUOCSPAZLJMNG-INIZCTEOSA-N 463.007 6.173 50 10 JKGE Fc1cc(CBr)cc(F)c1OCc1ccc(Cl)c(I)c1 2362427313 IDKCWPFQCQPEPE-UHFFFAOYSA-N 473.482 5.697 50 10 JKGE COc1c(Br)cc(C)c([C@@H](Cl)c2ccc(Br)cc2)c1Br 2365183674 KUAYBXOLRVVGNO-AWEZNQCLSA-N 483.425 6.619 50 10 JKGE COc1c(Br)cc(C)c([C@H](Br)C[C@@H]2C[C@H]2C2CC2)c1Br 2365190526 GATUFZUGFSTELN-SDDRHHMPSA-N 467.039 6.401 50 10 JKGE CCc1sc(Br)cc1[C@@H](Br)CCc1cc(Cl)cc(Cl)c1 2366800382 ZQFBYQZNNGYLHB-ZDUSSCGKSA-N 457.058 7.449 50 10 JKGE Cc1ccc([C@H](Br)CCc2cc(Cl)cc(Cl)c2)cc1I 2366903100 LSHYKPUHDPSXMP-OAHLLOKOSA-N 484.002 6.975 50 10 JKGE COCc1ccc(CO[C@H](CI)c2ccc(Br)cc2)s1 2368069997 DJTFDNKSVRCOOH-OAHLLOKOSA-N 467.166 5.350 50 10 JKGE O=C(c1cc(Br)c(Br)s1)N1CCC[C@H](Br)[C@H]1C(F)(F)F 2370245803 YYKCUAOTLDNARN-XNCJUZBTSA-N 499.972 5.204 50 10 JKGE COC1CC2(C1)CC(CCl)(Cc1ccc(I)c(Br)c1)C2 2377360155 NHJSLJSGIZOOKG-UHFFFAOYSA-N 469.588 5.410 50 10 JKGE CCc1cc(CCl)cc(OCc2ccc(I)c(Br)c2)n1 2377636015 HRGQQLNIODRXCU-UHFFFAOYSA-N 466.544 5.329 50 10 JKGE CCc1cc(Br)c(OC)c([C@H](Cl)c2cccc(I)c2)c1 2381236338 HWJMMWVHAQNDDE-OAHLLOKOSA-N 465.556 5.953 50 10 JKGE Cc1ccc(-c2n[nH]c3c2[C@H](c2ccc(OC(=O)c4ccccc4Cl)cc2)C(C#N)=C(N)O3)cc1 10013831 FZFJTUVTHAHHAO-JOCHJYFZSA-N 482.927 5.476 50 10 JKGE CC(C)(C)c1ccc(C(=O)Nc2ccc(C(=O)NNC(=O)c3ccc(Cl)cc3Cl)cc2)cc1 12491996 YKYAXJMRLLMMIL-UHFFFAOYSA-N 484.383 5.618 50 10 JKGE Cc1cccc(Cl)c1COc1ccc(/C=N/NC(=O)c2ccc(NC(=O)c3ccccc3)cc2)o1 20291622 WEFNTKMZDXYPOV-MUFRIFMGSA-N 487.943 5.837 50 10 JKGE COc1ccc(/C=C(\C#N)C(=O)Nc2ccccc2C(F)(F)F)cc1Cn1nc(C)cc1C 20353010 SJHCHGRIRKEPIM-WOJGMQOQSA-N 454.452 5.121 50 10 JKGE N#C/C(=C/c1ccc(OC(=O)CCCN2C(=O)c3ccccc3C2=O)cc1)c1ccc(Cl)cc1 31901337 IIHKVFCAKYCASS-SILNSSARSA-N 470.912 5.386 50 10 JKGE Cc1cccc(NC(=O)/C(C#N)=C/c2ccc(-n3nc(-c4ccccc4)cc3-c3ccccc3)cc2)c1 33568589 RSGNPYQNJAYCQJ-NHFJDJAPSA-N 480.571 7.060 50 10 JKGE Cc1ccc(Cn2c(C(=O)N3CCN(C(=O)[C@H](Cl)c4ccccc4)[C@@H](C)C3)cc3ccoc32)cc1 35843951 LUCNCLCCOPHDKM-NBGIEHNGSA-N 490.003 5.244 50 10 JKGE COc1ccc(OCC(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@H]3c2ccc(C(C)C)cc2)cc1 38649496 SPOJCMKPKFUFIU-MHZLTWQESA-N 470.525 5.021 50 10 JKGE Cc1ccc(C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@H]3c2ccccc2Br)cc1 38678442 UNJMRBUZUIMLMJ-QFIPXVFZSA-N 461.315 5.195 50 10 JKGE Cc1ccc(OCC(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@@H]3c2c(Cl)cccc2Cl)cc1C 38679892 SDCBZXHJABJUBV-XMMPIXPASA-N 495.362 5.813 50 10 JKGE CCOc1cccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4oc5cc(C)cc(C)c5c4C)ccc32)c1 38701225 BWLOCRDKVNJPKJ-HHHXNRCGSA-N 494.547 6.194 50 10 JKGE N#C/C(=C\c1ccc(-c2cccc(Cl)c2Cl)o1)c1nc(-c2ccc3ccccc3c2)cs1 39884992 XXZOSNWSLBYLII-CPNJWEJPSA-N 473.384 8.594 50 10 JKGE CCCCNC(=O)/C(C#N)=C/c1ccc(OC(=O)/C=C/c2ccc(OCCCC)cc2)c(OC)c1 40971160 UAHLAOFLWXLUIB-VEJOEAEISA-N 476.573 5.316 50 10 JKGE C=CCc1cc(/C=N/NC(=O)CC[C@@H](O)c2ccccc2)cc(OCC)c1OCc1ccccc1 58888046 ITMCVQRKHAZIST-PLUOQXPISA-N 472.585 5.357 50 10 JKGE Cc1ccccc1C(=O)Nc1ccc(SSc2ccc(NC(=O)c3ccccc3C)cc2)cc1 59522506 AJBFJFRWPSKJLZ-UHFFFAOYSA-N 484.646 7.607 50 10 JKGE CCCCCCCOc1ccc(/C=C2/C(=O)N(C3CCCCC3)C(=O)C(C#N)=C2C)cc1OCC 101339071 HZGFELRRKPHALZ-HKOYGPOVSA-N 478.633 6.359 50 10 JKGE Cl[C@@H](c1cccc(I)c1)c1cc2c(cc1Br)OCCO2 109822011 MDZNEWBXLNXCGM-HNNXBMFYSA-N 465.512 5.153 50 10 JKGE COc1cc(Br)c([C@H](Br)c2cc(Br)ccc2Cl)cc1OC 109860116 RGXMBPSRYWIJGH-HNNXBMFYSA-N 499.424 6.367 50 10 JKGE Brc1ccc(Br)c([C@@H](Br)c2ccc3c(c2)CCCO3)c1 161096160 AVXNZRBHVHLQHN-INIZCTEOSA-N 460.991 6.021 50 10 JKGE CCCCOc1ccc(/C=C(/C#N)C(=O)Oc2ccc(C(=O)Nc3ccc(OC)cc3)cc2)cc1 206415203 ZMAKXGWYLBFAGY-PYCFMQQDSA-N 470.525 5.639 50 10 JKGE COc1ccc([C@@H](Cl)c2ccc(Br)cc2Cl)c(OC)c1Br 224842820 BDJQDGWEAYIFSY-AWEZNQCLSA-N 454.973 6.210 50 10 JKGE Cc1ccc(/C=C(/C#N)C(=O)N2N=C3/C(=C\c4ccccc4)CCC[C@@H]3[C@@H]2c2ccccc2)cc1 229263372 FXTNDRZPXFXGSK-LCZIAHAUSA-N 457.577 6.725 50 10 JKGE FC(F)(F)c1cc(Br)ccc1[C@H](Br)c1ccc(Br)s1 229518441 VBJSKEXLCZADFP-NSHDSACASA-N 478.953 6.776 50 10 JKGE COc1ccc([C@@H](Cl)c2cc(I)ccc2Br)c(C)c1 234979455 CMRXNGJLHGXHSP-OAHLLOKOSA-N 451.529 5.699 50 10 JKGE C/C(C=NNC(=O)CSc1nnc(-c2ccc(C)cc2)n1-c1ccccc1)=C\c1ccco1 254501497 NCHYDMAUNMBSQW-BDZQMUKISA-N 457.559 5.133 50 10 JKGE CCCCCCCCCC(=O)NN=Cc1c(OC(=O)c2ccc(OCC)cc2)ccc2ccccc12 254817602 ZXPCNMBMAHRIOO-UHFFFAOYSA-N 488.628 7.049 50 10 JKGE Cc1cc(C)c([C@H](Br)c2cccc(Br)c2C)c(C)c1Br 312471168 BESCHMKSKXEXLS-QGZVFWFLSA-N 461.035 6.930 50 10 JKGE C[C@H](Cl)c1nc2cc(I)ccc2n1CC[C@@H](C)N(C)Cc1ccccc1 379621280 UKHRKRBSQLECMF-CVEARBPZSA-N 481.809 5.851 50 10 JKGE C[C@@H]1C[C@@H](OC2(CI)CCN(C(=O)OC(C)(C)C)CC2)CC(C)(C)C1 380746329 ZNMVASZOLNIOFA-HZPDHXFCSA-N 465.416 5.423 50 10 JKGE Clc1ccc(Br)c(C[C@H](CBr)Cc2ccccc2Br)c1 380803439 YUUKSHHURIEBFV-LLVKDONJSA-N 481.453 6.661 50 10 JKGE C[C@H]1CCC[C@@H](CC(CBr)(CBr)c2ccc(Br)cc2)C1 383875933 ZAALACRWSSOMTP-UONOGXRCSA-N 467.083 6.693 50 10 JKGE C[C@@H](CCOCc1ccccc1)n1c(CCCl)nc2cc(I)c(F)cc21 389609395 HEUZZBDZLRMTIH-AWEZNQCLSA-N 486.756 5.729 50 10 JKGE C[C@H](Cl)c1nc2cc(I)ccc2n1C1[C@H]2C[C@H]1CN(Cc1ccccc1)C2 399637390 FSTXVECHUXNLFK-XIRDDKMYSA-N 491.804 5.634 50 10 JKGE COc1cc(F)c(Br)cc1[C@@H](Br)c1nscc1Br 404805401 NJFSMGPCJSGMAH-SNVBAGLBSA-N 459.960 5.300 50 10 JKGE Fc1cc(Br)c(Cl)cc1[C@@H](Br)c1cscc1Br 404814336 BHRGOXDLKBQRSX-LLVKDONJSA-N 463.391 6.550 50 10 JKGE COCc1cc(Br)c([C@H](Br)c2ccc(Br)cc2OC)s1 688063216 ZHKVTUCTSUVXMN-CYBMUJFWSA-N 485.035 5.912 50 10 JKGE CCC(CC)([C@H](Br)c1cc(Br)c(Br)s1)C(F)(F)F 700680580 PNYGUNRDURNKAU-MRVPVSSYSA-N 472.990 7.078 50 10 JKGE Fc1ccc([C@@H](Br)c2sccc2I)c(F)c1Br 701020462 HYVSQJMASCHSOG-MRVPVSSYSA-N 493.936 5.878 50 10 JKGE Fc1cc2nc(CCl)n(CC3(N(Cc4ccccc4)Cc4ccccc4)COC3)c2cc1F 705781264 BSNQJMBECCPUSY-UHFFFAOYSA-N 467.947 5.525 50 10 JKGE BrCc1cc(Br)c(OC[C@H]2CC[C@H](C3CC3)O2)c(Br)c1 715464583 BIOIUXMTYXQUAC-BXUZGUMPSA-N 469.011 5.443 50 10 JKGE Fc1cc([C@@H](Cl)c2ccc(I)c(Br)c2)c(F)c(F)c1F 721605311 RMFLDDFAEUKSQX-JTQLQIEISA-N 479.436 5.938 50 10 JKGE CCCCCOc1ccccc1C(=O)NN=Cc1ccccc1OS(=O)(=O)c1ccc(C)cc1 1084091382 SEAAMLFEBPIAHR-UHFFFAOYSA-N 480.586 5.096 50 10 JKGE COc1ccc(C(=O)NN=Cc2cn(Cc3ccc(Cl)cc3Cl)c3ccccc23)cc1 1084431792 UDTWGBXDQOBHGR-UHFFFAOYSA-N 452.341 5.769 50 10 JKGE COc1ccc(C(=O)NN=C2CCCc3oc(C(=O)Nc4cc(Cl)cc(Cl)c4)c(C)c32)cc1 1772745674 GXHWKOYBUNOAQR-UHFFFAOYSA-N 486.355 5.626 50 10 JKGE COc1ccccc1C(=O)NN=C1CCCc2oc(C(=O)Nc3ccc(Cl)cc3C)c(C)c21 1772746162 QZIUJSZAGBUDEI-UHFFFAOYSA-N 465.937 5.281 50 10 JKGE CC(C)(C)c1ccc([C@@H]2C(C#N)=C(N)Oc3c2c(-c2ccccc2)nn3-c2ccc(Cl)cc2)cc1 1865682763 XEXCOFKPPJZAKH-XMMPIXPASA-N 480.999 6.708 50 10 JKGE COc1ccc(-c2nn(-c3ccc(C)cc3)c3c2[C@H](c2ccccc2F)C(C#N)=C(N)O3)cc1 1865683956 RGLRKUQKZFJTDE-HSZRJFAPSA-N 452.489 5.214 50 10 JKGE N#CC1=C(N)Oc2c(c(-c3ccccc3)nn2Cc2ccccc2F)[C@H]1c1c(F)cccc1Cl 1865685315 HYZXQPGKTCKZSW-OAQYLSRUSA-N 474.898 5.748 50 10 JKGE CCc1nn(Cc2c(F)cccc2Cl)c2c1[C@H](c1ccc(OC(C)C)c(OC)c1)C(C#N)=C(N)O2 1865696410 GIODMGOPHMMUTC-HSZRJFAPSA-N 496.970 5.300 50 10 JKGE CCCc1nn(Cc2ccccc2)c2c1[C@H](c1ccc(OCc3ccccc3C)cc1)C(C#N)=C(N)O2 1865703060 LYTJEIKEPNCNNP-MUUNZHRXSA-N 490.607 5.990 50 10 JKGE CCCOc1ccccc1[C@@H]1C(C#N)=C(N)Oc2c1c(-c1ccccc1)nn2Cc1ccc(F)cc1 1865703438 VTCHOMUVCNPLEW-RUZDIDTESA-N 480.543 5.744 50 10 JKGE CCCOc1ccccc1[C@H]1C(C#N)=C(N)Oc2c1c(-c1ccccc1)nn2Cc1cccc(Cl)c1 1865703491 WQIQPGFNHNPFLZ-VWLOTQADSA-N 496.998 6.259 50 10 JKGE CCN(Cc1ccccc1)c1ccc([C@@H]2C(C#N)=C(N)Oc3c2c(C)nn3-c2ccc(OC)cc2)cc1 1865707134 OTRCECQRBFFYGH-MUUNZHRXSA-N 491.595 5.434 50 10 JKGE N#CC1=C(N)Oc2c(c(-c3ccccc3)nn2-c2cccc3ccccc23)[C@H]1c1ccccc1[N+](=O)[O-] 1865710197 QOCXRUBNLXGWLG-VWLOTQADSA-N 485.503 5.819 50 10 JKGE CCC[C@H](NC(=O)C[C@@H](c1ccc(C(C)C)cc1)C(C)C)C(=O)Nc1ccc(SC#N)cc1 1866738206 FCXNJVAMWILGLH-RPBOFIJWSA-N 465.663 6.436 50 10 JKGE CC(C)c1ccc([C@H](CC(=O)N[C@@H](C(=O)Nc2ccc(SC#N)cc2)c2ccccc2)C(C)C)cc1 1866745257 IOVGWHOTRCMMMH-XRKRLSELSA-N 499.680 7.009 50 10 JKGE N#CSc1ccc(NC(=O)[C@@H](NC(=O)[C@@H](c2ccc(Cl)cc2)C2CC2)c2ccccc2)cc1 1866999759 BGJJRIVUTDRNGJ-RPWUZVMVSA-N 476.001 5.903 50 10 JKGE CCOc1ccc(/C=C(C(/O)=C(\C#N)c2nc(-c3cccc(OC)c3)cs2)\c2ccccc2)cc1 1872744479 UOLLFWLPPRMEQL-KUEQOBMBSA-N 480.589 7.251 50 10 JKGE Cc1ccc(OCCC/C(O)=C(\C#N)c2nc(-c3cccc(Br)c3)cs2)cc1 1872745956 LHLXARGPDUARMD-VZCXRCSSSA-N 455.377 6.533 50 10 JKGE CC[C@@H](C)N1C(=O)c2ccc(/C(O)=C(\C#N)c3nc(-c4ccccc4Cl)cs3)cc2C1=O 1872746628 QGOPXFYAZAQWHW-HZWATPOSSA-N 463.946 5.808 50 10 JKGE N#C/C(=C(/O)c1c(Cl)ccc(Cl)c1Cl)c1nc(-c2cccc([N+](=O)[O-])c2)cs1 1873940962 PLCMPFOYJUGNRJ-BOPFTXTBSA-N 452.706 6.628 50 10 JKGE Cl[C@@H](c1cc(Br)sn1)c1cc(Br)c(Br)s1 1909866052 ZJAKICMTZNSJTH-ZETCQYMHSA-N 452.418 5.820 50 10 JKGE C[C@@H](CBr)N(Cc1ccccc1)S(=O)(=O)c1ccc(Br)cc1Cl 1914353022 LUHUEZBSMFKYKI-LBPRGKRZSA-N 481.637 5.077 50 10 JKGE Cc1c(Br)sc([C@H](Br)c2ccc3c(c2)OCCO3)c1Br 1922884212 RDLJGDVCMNXUHP-GFCCVEGCSA-N 483.019 5.837 50 10 JKGE Cc1c(Br)sc([C@H](Cl)c2ccc(Cl)c(Br)c2)c1Br 1922946038 MXEVHCWQOPJQMF-SNVBAGLBSA-N 493.873 7.326 50 10 JKGE Cc1cc(C)c([C@@H](Br)c2sc(Br)cc2Br)c(C)c1 1922947129 YTFSBNRWGSPZSJ-CYBMUJFWSA-N 453.037 6.683 50 10 JKGE Clc1c(Br)sc(Br)c1[C@H](Br)C12CCC(CC1)CC2 1923061683 MFNRUYIFOODRBW-JRIBOLAGSA-N 477.487 7.333 50 10 JKGE C[C@H](c1ccncc1Br)[C@@H](Br)c1ccc(F)cc1I 1924038819 HQJBLYGKLWKNQU-XLKFXECMSA-N 498.959 5.828 50 10 JKGE C[C@@H](c1ccncc1Br)[C@@H](Cl)c1ccc(F)cc1I 1924043894 QBBWBHFGDVINRT-RMLUDKJBSA-N 454.508 5.671 50 10 JKGE CCOc1ccc([C@@H](Br)c2csnc2Br)c(Br)c1 1925248599 QYYNOOOUVYKJPM-LLVKDONJSA-N 455.997 5.551 50 10 JKGE Fc1cc(Br)cc([C@@H](Cl)c2c(Cl)sc(Br)c2Cl)c1 1925590677 ZBFNONOPEYTCRB-MRVPVSSYSA-N 453.385 7.047 50 10 JKGE Brc1cc([C@@H](Br)c2sncc2Br)c(Br)s1 1928068506 MKJZZGQAHWSGPD-ZCFIWIBFSA-N 496.869 5.976 50 10 JKGE Cc1cc(Br)sc1[C@H](Br)c1cc(Br)ccc1Cl 1950208855 VZNVZLOCWCPVAW-LLVKDONJSA-N 459.428 6.719 50 10 JKGE Clc1cccc(Br)c1[C@H](Cl)c1cc(Br)sc1Br 2003557401 DWXFVZGDLGIACA-SNVBAGLBSA-N 479.846 7.017 50 10 JKGE Fc1cc(Br)c([C@@H](Br)[C@H]2C[C@@H](Br)C2)c(F)c1Cl 2023377406 LVMXYFGYOMBFBQ-ZDEZVYLVSA-N 453.346 5.990 50 10 JKGE CCCC(CBr)(CBr)Cc1ccc(I)c(Cl)c1 2026571287 YURXCUKPTLZMKU-UHFFFAOYSA-N 494.436 6.063 50 10 JKGE Cc1csc([C@@H](Br)[C@@H](C)c2ccncc2Br)c1Br 2039335469 DKRCGPZZSQUOBD-UFBFGSQYSA-N 454.025 6.216 50 10 JKGE Cc1c(Br)sc([C@@H](Br)[C@H]2CCCC23CCC3)c1Br 2053378662 SHYVUKCGEOQMPU-KOLCDFICSA-N 457.069 6.988 50 10 JKGE C[C@H](CCCCCBr)NC(=O)c1cc(Br)c(Br)s1 2054161645 MIFIKZHSSYWASX-MRVPVSSYSA-N 462.045 5.347 50 10 JKGE CC(C)(C)C1([C@H](Br)c2c(Br)sc(Br)c2Cl)CCC1 2071924551 SGYZYWPNJYBIEY-SECBINFHSA-N 479.503 7.579 50 10 JKGE Clc1ccc(I)c([C@@H](Br)c2ncn3ccsc23)c1 2083982842 RWMBRCDBKBJOMU-SNVBAGLBSA-N 453.530 5.138 50 10 JKGE CC(C)(C)OC(=O)N1CCC[C@](CI)(O[C@H]2CCCC(F)(F)CC2)C1 2085963620 PTDUJIFKPYWFRN-WMLDXEAASA-N 473.342 5.176 50 10 JKGE C[C@@H]1CC[C@@H](CC(CBr)(CBr)c2ccccc2Br)C1 2101724763 OOGMNCSSLOSZKV-CHWSQXEVSA-N 453.056 6.303 50 10 JKGE Clc1ccc(Br)cc1COc1cccc(Br)c1CBr 2110524340 QVJDAPOKICBPNH-UHFFFAOYSA-N 469.398 6.339 50 10 JKGE Fc1ccc(Br)cc1CC[C@H](Br)c1ccccc1Br 2113441627 JMYCCJDBBCJGAG-AWEZNQCLSA-N 450.971 6.420 50 10 JKGE CC[C@@H](Br)[C@@H]1CCCCN1C(=O)c1scc(Br)c1Br 2114203049 GBPQQWFJKWIMQJ-SCZZXKLOSA-N 474.056 5.441 50 10 JKGE Cc1cc(Br)c(CBr)c(N(C)[C@H]2CN(Cc3ccccc3)C(C)(C)C2)c1 2116804318 QKBVAXYUYFDCAW-GOSISDBHSA-N 480.288 6.142 50 10 JKGE Cc1c(Br)sc([C@@H](Br)C2CC3(C2)CC32CCC2)c1Br 2127506098 WIQPYRUVTNFZPQ-UQACVICXSA-N 469.080 6.988 50 10 JKGE Cc1cc(Br)c([C@@H](Br)C2CC3(C2)CC3(C)C)cc1Br 2127506536 AZBGKFZRHUXTAV-BHKPVTDMSA-N 451.040 6.782 50 10 JKGE BrC[C@H]1C[C@@H]2CC[C@H](C1)N2Cc1cc(Br)ccc1Br 2128152395 SOAGXRDIXXICNZ-OJNYZHBWSA-N 452.028 5.350 50 10 JKGE CO[C@@H]1CC[C@H]1CCOc1c(Br)cc(Br)cc1CBr 2130343078 AYNMMWWWASMJEA-TVQRCGJNSA-N 457.000 5.300 50 10 JKGE Cc1c(Br)ccc([C@H](Br)CC[C@H]2CCCCO2)c1Br 2138854584 TYXCECJZTGTWNP-BXUZGUMPSA-N 455.028 6.305 50 10 JKGE CCc1occ(C)c1[C@H](Br)c1ccc(Br)c(C)c1Br 2138865031 PWYFCFBETBWHRD-OAHLLOKOSA-N 450.996 6.468 50 10 JKGE CN(Cc1ccc(I)c(Cl)c1)[C@@H](CCBr)C(F)(F)F 2142945689 XKSRPHTVSQCIRB-NSHDSACASA-N 470.498 5.092 50 10 JKGE FC1(F)CC2(C1)CC(CBr)(Cc1ccc(Br)cc1Br)C2 2158841897 TXJCKOKGGZFAQT-UHFFFAOYSA-N 472.993 6.345 50 10 JKGE Clc1ccc(CC(CBr)(CBr)C2CCOCC2)cc1Br 2166828436 YQINPVAOGHLSIC-UHFFFAOYSA-N 489.473 5.848 50 10 JKGE Cn1cnc(Cl)c1CC(CBr)(CBr)c1cccc(Br)c1 2168232389 VOAXCYFCAAOHLZ-UHFFFAOYSA-N 485.445 5.106 50 10 JKGE C[C@H](Cl)c1nc2cc(Cl)c(Br)cc2n1[C@H]1CCN(Cc2ccccc2)[C@@H]1C 2168999292 QREYCPWSKIKEMC-KSMMKXTCSA-N 467.238 6.588 50 10 JKGE Cc1ccc(C[C@@H](CBr)Cc2cc(Br)ccc2Br)cc1 2175148589 ZTRAVBFNFUWRDQ-CQSZACIVSA-N 461.035 6.316 50 10 JKGE C[C@H]1C[C@H](n2c(CCl)nc3cc(F)c(Br)cc32)CN(Cc2ccccc2)C1 2184260716 OBZJUQYWWYPIOJ-HOCLYGCPSA-N 450.783 5.760 50 10 JKGE Cc1c([C@H](Br)c2c(Br)cc(F)c(F)c2F)c(Br)nn1C 2188149645 DIKFSIQTIVKIMF-VIFPVBQESA-N 476.916 5.155 50 10 JKGE Clc1c(Br)sc(Br)c1[C@H](Cl)[C@@H]1C[C@H]1C1CCCCCC1 2199991671 VLGYMSUBGZNIQJ-HOSYDEDBSA-N 461.090 7.813 50 10 JKGE COc1c(Br)cc(C)cc1[C@@H](Cl)c1cc(Br)cc(Br)c1 2203814345 HLZSATKWVJKUOH-AWEZNQCLSA-N 483.425 6.619 50 10 JKGE Cc1cc([C@H](Cl)c2c(C)cc(C)c(Br)c2C)ccc1I 2207106288 WUJOQPIHNQLECP-KRWDZBQOSA-N 463.584 6.616 50 10 JKGE Clc1cc(CC[C@H](Br)CN2CCCCCC2)ccc1I 2208034872 ZYKALSWLKNNJGZ-AWEZNQCLSA-N 470.620 5.517 50 10 JKGE Clc1cc([C@@H](Br)c2c(Br)cc(Cl)c(Cl)c2Cl)cs1 2217609407 ABZIIRBTWWKFMB-SECBINFHSA-N 469.840 7.609 50 10 JKGE Fc1cc(Br)c(Br)cc1[C@@H](Cl)c1ccccc1OCc1ccccc1 2218596511 FVAMSTFVDIVWMM-FQEVSTJZSA-N 484.590 7.258 50 10 JKGE Cl[C@H](CCc1sc(Br)c(Br)c1Br)c1ccccc1 2222450935 XEZLSANVUDSZTF-SECBINFHSA-N 473.455 6.948 50 10 JKGE FC(F)C(F)(F)C[C@@H](Br)c1c(Br)cc(Cl)c(Cl)c1Cl 2224304318 IENPDMBGHJKQDR-SCSAIBSYSA-N 467.309 7.136 50 10 JKGE COc1ccc([C@@H](Br)c2sc(C)c(Br)c2C)c(Br)c1 2226086970 WTFBQOJGEKNOJT-CYBMUJFWSA-N 469.036 6.383 50 10 JKGE Cc1sc(Br)c(C)c1[C@H](Br)Cc1ccc(Br)cc1Cl 2229150844 HPIGLVBNOKOIDQ-LLVKDONJSA-N 487.482 7.222 50 10 JKGE Cc1cc(Br)c([C@@H](Cl)c2cc(I)cc3c2OCC3)s1 2229324999 BVEDTJIVLXBJTJ-LBPRGKRZSA-N 469.569 5.687 50 10 JKGE ClCc1nc2cc(Br)c(Br)cc2n1-c1cccc(Br)c1 2234065148 JBGPKEDTQKIFAV-UHFFFAOYSA-N 479.397 6.052 50 10 JKGE Cc1cc(Br)c([C@@H](Br)C2CC(C(C)(C)C)C2)c(C)c1Br 2235602290 YQAAUGSOMKSCJN-PPUFBPAQSA-N 467.083 7.337 50 10 JKGE CCC12COC([C@H](Br)c3c(Br)cc(C)c(Br)c3C)(C1)C2 2235609314 BMDKJGUJIIOUCT-QQFBHYJXSA-N 467.039 6.224 50 10 JKGE Clc1cc(Br)ccc1[C@@H](Br)c1ccc2c(c1Br)CCO2 2238082427 ODJVZRBGSMDBNC-CQSZACIVSA-N 481.409 6.284 50 10 JKGE Fc1cc([C@@H](Br)c2cc(Br)c(Cl)s2)c(Cl)cc1Br 2255969420 INKKKNJPSAKISZ-SNVBAGLBSA-N 497.836 7.203 50 10 JKGE Fc1cc([C@@H](Cl)c2cc(Br)c(Cl)s2)c(Cl)cc1Br 2255970497 VYQSBIINZGAMHU-SNVBAGLBSA-N 453.385 7.047 50 10 JKGE Brc1cc([C@H](Br)c2ccc(C3CCC3)s2)c(Br)s1 2259355622 CHUDOTVRKJDNOS-LBPRGKRZSA-N 471.077 7.086 50 10 JKGE Clc1nsc([C@@H](Br)Cc2cc(Br)cc(Br)c2)c1Cl 2263512144 WMVYNOZAVBDWCP-QMMMGPOBSA-N 494.861 6.654 50 10 JKGE C[C@H]1Cc2cc([C@@H](Br)c3cocc3Br)cc(Br)c2O1 2270465573 RGSDAHRSCIVUJG-WPPNPWJKSA-N 450.952 5.612 50 10 JKGE Cc1cc(Br)c([C@@H](Br)C[C@@H]2CCCCC23CC3)cc1Br 2279675311 UUBOWQVVZAOFOB-LRDDRELGSA-N 465.067 7.317 50 10 JKGE C[C@@H](Cl)CN(CC(C)(C)C)C(=O)c1cc(I)ccc1Br 2288054436 XNEFDCYFWNUYOT-SNVBAGLBSA-N 472.592 5.169 50 10 JKGE Fc1cc(Br)c(F)c(Br)c1[C@H](Br)[C@H]1CCCC2(CC2)C1 2288346796 LXURTMFJCZKZBS-QPUJVOFHSA-N 472.993 6.896 50 10 JKGE CC1(C)CCC[C@H]([C@H](Br)c2c(F)cc(Br)c(F)c2Br)C1 2288347849 YWQCBIRSIJMINU-UFBFGSQYSA-N 475.009 7.142 50 10 JKGE CCc1occ(C)c1[C@@H](Br)c1c(F)cc(Br)c(F)c1Br 2288348000 ALGKFMBCFXANAC-GFCCVEGCSA-N 472.949 6.438 50 10 JKGE Fc1cc(Br)cc([C@@H](Cl)c2c(F)cc(Br)c(F)c2Br)c1 2288351967 FHAXRMLCRMKFBC-GFCCVEGCSA-N 493.342 6.720 50 10 JKGE CC1(C)OCCO[C@H]1[C@H](Br)c1c(F)cc(Br)c(F)c1Br 2288485727 ZVYHRCSGOHBCOI-PWSUYJOCSA-N 478.953 5.120 50 10 JKGE N#CC(=Cc1cccc2ccccc12)C(=O)Nc1ncc(Cc2cc(C(F)(F)F)ccc2Cl)s1 2296825628 HSCSPEBTCZCVPO-UHFFFAOYSA-N 497.929 7.105 50 10 JKGE C[C@H](NC(=O)C(C#N)=C1N=C(NC(=O)c2ccc(C(C)(C)C)cc2)c2ccccc21)c1ccccc1 2296842977 RKXVPAYQXPNCKS-IBGZPJMESA-N 476.580 5.286 50 10 JKGE N#CC(=Cc1c[nH]nc1-c1cccc([N+](=O)[O-])c1)c1nc(-c2cc3ccccc3oc2=O)cs1 2297369463 AQVCGVOLORZTLV-UHFFFAOYSA-N 467.466 5.279 50 10 JKGE C[S@](=O)(=NC=C(C#N)C(=O)c1ccc(Cl)cc1)c1ccc(OC(=O)c2ccc(Cl)cc2)cc1 2297564355 YNUHYJGSHKMVJQ-MGBGTMOVSA-N 499.375 5.960 50 10 JKGE COC1(C[C@@H](Br)c2cc(Br)ccc2OCc2ccccc2)CCC1 2299534388 CVUIOKPZPBIJMJ-GOSISDBHSA-N 454.202 6.423 50 10 JKGE CCCC[C@@H](CC)[C@@H](Br)c1cc(Br)ccc1OCc1ccccc1 2299536574 ZITQDOHSISWALD-DYESRHJHSA-N 454.246 7.681 50 10 JKGE Clc1cc(I)c([C@H](Br)c2ccc(Cl)c(Cl)c2)s1 2300954372 WVIHJELOBQUAEH-SNVBAGLBSA-N 482.395 6.797 50 10 JKGE CC[C@@H](C[C@H](C)Br)NCc1ccc(I)c(Br)c1 2306220898 AUXSGMZDKOIJJI-ONGXEEELSA-N 475.006 5.095 50 10 JKGE Fc1cc(Cl)c(Br)c(Cl)c1[C@@H](Br)c1sccc1Br 2313819534 RAXYLCWDFKIPKW-SECBINFHSA-N 497.836 7.203 50 10 JKGE O=S1(=O)CCC([C@H](Br)c2cc(Br)ccc2OCc2ccccc2)CC1 2314452323 MAIYVXFMTCNSHI-IBGZPJMESA-N 488.241 5.289 50 10 JKGE CSc1ccc([C@@H](Br)c2ccc(OCc3ccccc3)cc2Br)cc1 2314500225 LAPLJPVJRZUMLF-OAQYLSRUSA-N 478.249 7.234 50 10 JKGE Cc1ccc(C[C@@H]2SC(=C(C#N)C(=O)N[C@@H](C)c3ccccc3)N(c3ccc(C)c(C)c3)C2=O)cc1 2314593281 KUGRWEINLJQQNO-CUNXSJBXSA-N 495.648 5.916 50 10 JKGE C[C@H](Oc1ccc(-c2ccccc2)cc1)C(=O)Oc1ccc(C=C(C#N)C(=O)NCc2ccco2)cc1 2314760109 GGULBNHTCCUASS-NRFANRHFSA-N 492.531 5.543 50 10 JKGE C[C@@]1([C@@H](Br)c2c(Cl)cc(Br)c(F)c2Br)CCOC1 2315440426 SNXYSUZOMIIDKZ-NWDGAFQWSA-N 465.382 5.867 50 10 JKGE Brc1cc([C@@H](Br)[C@@H]2C[C@H]3CCC[C@H]2CC3)c(Br)s1 2316745031 UJBYCVOIGVHIGT-XHSYRHOGSA-N 457.069 6.926 50 10 JKGE Clc1ccc(CO[C@@H]2CCCCC[C@@H]2I)c(I)c1 2317808793 DDJVRWVLIRWJPL-GXTWGEPZSA-N 490.550 5.598 50 10 JKGE CC(C)(C)OC(=O)NC[C@@](C)(CBr)OCCCc1cc(Cl)cc(Cl)c1 2318688613 UNEHRTIBOKSOCE-GOSISDBHSA-N 455.220 5.621 50 10 JKGE Cc1c(OCc2ccc(CCl)cc2)ccc2c1OC(=Cc1ccc(-c3ccccc3)cc1)C2=O 2325339722 WRTXIWSBTCPJHH-UHFFFAOYSA-N 466.964 7.596 50 10 JKGE CCc1cccc(CC)c1N1C[C@H](C(O)=C(C#N)c2nc(-c3ccc(Cl)cc3)cs2)CC1=O 2331299301 RVYZJSFTOCHDED-LJQANCHMSA-N 478.017 6.434 50 10 JKGE COc1cc(-c2csc(C(C#N)=C(O)CCCOc3ccc(C)cc3)n2)c(OC)cc1Cl 2331376893 HDFUBJSSZNQFCF-UHFFFAOYSA-N 470.978 6.441 50 10 JKGE CCOc1ccc(OCC)c(-c2csc(C(C#N)=Cc3cc(OC)c(O)c(OC)c3)n2)c1 2331470859 RZMBEVUYBRJHGF-UHFFFAOYSA-N 452.532 5.394 50 10 JKGE CCN(Cc1ccccc1)c1ccc(C=C(C#N)c2nc(-c3ccc(OC)c(Cl)c3)cs2)cc1 2331484538 HMVKJOZBSUHVSD-UHFFFAOYSA-N 486.040 7.563 50 10 JKGE Cc1c(Br)sc([C@H](Br)[C@H]2OC[C@@H]3CCCC[C@H]23)c1Br 2333519673 AJSJUZZJKRIBBV-XPXLGCRWSA-N 473.068 6.223 50 10 JKGE CS[C@H]1C[C@@H](CC(CBr)(CBr)c2ccc(Br)cc2)C1 2335765747 KGDHWHXLLBEKFA-VDISTLRHSA-N 471.096 6.008 50 10 JKGE CO[C@H]1C[C@H]([C@H](Br)c2ccc(OCc3ccccc3)cc2Br)C[C@H]1OC 2336041483 ONNQTCNGCSFVGS-KQLYMOGASA-N 484.228 5.904 50 10 JKGE Fc1c(Br)cc(Cl)c([C@@H](Br)c2ccc(Cl)cc2)c1Br 2337091686 FOWBFKUYZCHAOO-NSHDSACASA-N 491.807 7.142 50 10 JKGE Fc1cc(F)c([C@@H](Br)c2ccc(Cl)cc2I)c(F)c1 2340063036 GTLUGBAEHCIQNF-ZDUSSCGKSA-N 461.446 5.846 50 10 JKGE CN(CC[C@H](Br)c1cccs1)c1ncc(Br)cc1Br 2340487461 BOWDODFGJBTNDZ-JTQLQIEISA-N 469.040 5.631 50 10 JKGE Cc1scc([C@@H](Cl)c2cc(I)cc3c2OCC3)c1Br 2343555053 RNHQPBXIMUWWOF-ZDUSSCGKSA-N 469.569 5.687 50 10 JKGE ClC[C@]1(Cc2ccc(I)c(Br)c2)CC12CCCCC2 2349865445 QZYOWLKTQKOXBZ-INIZCTEOSA-N 453.589 6.176 50 10 JKGE Cc1ccc(CBr)c(OCc2ccc(I)cc2)c1Br 2352563079 WJDOLFSSKXLWAO-UHFFFAOYSA-N 495.980 5.836 50 10 JKGE Fc1c(Br)cc(Cl)c([C@H](Br)C[C@@H]2CCCC2(F)F)c1Br 2362222387 BJWYJNUYRMFTCA-NKWVEPMBSA-N 499.390 7.266 50 10 JKGE Brc1cc(Br)cc(CO[C@H]2C[C@H](Br)C23CCCCC3)c1 2362239322 LIWFHUDWYSGHBF-GJZGRUSLSA-N 467.039 6.215 50 10 JKGE COc1ccc([C@H](Cl)c2c(Br)c(Br)nn2C)c(Cl)c1Cl 2364069427 IONRZRXMTNPKJW-VIFPVBQESA-N 463.384 5.589 50 10 JKGE CC(C)(C)[C@@H]1CC[C@H]1CO[C@H](CI)c1ccccc1Br 2369178934 VEDUBVLUOZHXRM-JGGQBBKZSA-N 451.186 6.014 50 10 JKGE O=C(c1cc(Br)sc1Br)N1CCC[C@@H](Cl)[C@H]1C(F)(F)F 2370257978 MSZSDXJSKNQQRO-SVRRBLITSA-N 455.521 5.047 50 10 JKGE FC(F)(F)[C@H]1[C@H](Br)CCCN1Cc1c(Br)cccc1Br 2370291564 IXEABCBZQAYDJD-VXGBXAGGSA-N 479.960 5.502 50 10 JKGE Fc1cc(Br)c(F)c(Br)c1[C@@H](Br)[C@H]1C[C@@H](C(F)(F)F)C1 2380890257 UNWNUIPXTHZHAD-ZDEZVYLVSA-N 486.898 6.514 50 10 JKGE Cc1cc(Br)cc(C)c1OCC(=O)N/N=C/c1ccc(OCc2ccccc2)cc1 3075058 OQRPERCSAPTVGW-VULFUBBASA-N 467.363 5.174 50 10 JKGE CCOc1ccc(NC(=O)/C(C#N)=C\c2c(Oc3cccc(C)c3C)nc3c(C)cccn3c2=O)cc1 34852106 MALLLBRIQLXSKW-PGMHBOJBSA-N 494.551 5.356 50 10 JKGE COc1ccc(/C=C(/C#N)C(=O)Nc2ccc([N+](=O)[O-])cc2)cc1OCc1cccc2ccccc12 34881875 WZCPQJCXEXOLTE-JCMHNJIXSA-N 479.492 5.881 50 10 JKGE CCCCOc1cccc(-c2nn(-c3ccccc3)cc2/C=C2/C(=O)N(CC)C(=O)C(C#N)=C2C)c1 38603189 IZSQPSIWPDDMDG-KOEQRZSOSA-N 480.568 5.330 50 10 JKGE CCc1ccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)[C@@H](C)Oc4ccc(C(C)C)cc4)ccc32)cc1 38677560 IXSGOCBCKVRDCG-GDJIYFAZSA-N 482.580 5.963 50 10 JKGE CCCCOc1cccc(C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@@H]3c2ccc(SC)cc2)c1 38682526 JARFDDDVBAKPIS-AREMUKBSSA-N 486.593 6.025 50 10 JKGE Cc1ccc2c(C)c(C(=O)Oc3ccc4c(c3)OC(N)=C(C#N)[C@H]4c3ccccc3F)oc2c1 38687955 LKVOHNMJEJVZOD-DEOSSOPVSA-N 454.457 5.626 50 10 JKGE O=C(CCCc1c(-c2ccccn2)[nH]c2ccccc12)NNC(=O)c1ccc(Cl)cc1Cl 39846655 TVDSQXMCFKQCPM-UHFFFAOYSA-N 467.356 5.321 50 10 JKGE Cc1ccc(S(=O)(=O)/C(C#N)=C/c2cn(-c3ccccc3)nc2-c2ccc(F)cc2)cc1C 39850270 QZXJFGJZLIBDPP-MFKUBSTISA-N 457.530 5.634 50 10 JKGE O=C(NNc1ncnc(Nc2ccc(Oc3ccccc3)cc2)c1[N+](=O)[O-])c1ccccc1Cl 40658330 RSQMXKXPYCIXEN-UHFFFAOYSA-N 476.880 5.331 50 10 JKGE Cc1ccc(NC(=O)c2oc3c(c2C)/C(=N/NC(=O)c2ccc(Br)cc2)CCC3)cc1 40811803 GMBLLWNDWGVMOR-ZXVVBBHZSA-N 480.362 5.382 50 10 JKGE Cc1c(C(=O)Nc2cccc3cccnc23)oc2c1/C(=N/NC(=O)c1ccccc1Cl)CCC2 40812772 YWHJTQUXBPEGTB-NDZAJKAJSA-N 472.932 5.512 50 10 JKGE Cc1c(C(=O)Nc2ccc(C(C)C)cc2)oc2c1/C(=N/NC(=O)Cc1ccc([N+](=O)[O-])cc1)CCC2 40814577 KZMICOGHVLVOGG-QUPMIFSKSA-N 488.544 5.271 50 10 JKGE COc1cc(/C=N\NC(=O)CC[C@@H](O)c2ccccc2)cc(Cl)c1OCc1cccc(F)c1 58889848 MDGWMHBASICRNG-HSMHNTNPSA-N 470.928 5.031 50 10 JKGE COC(=O)c1cccc(Cn2cc(/C=C(\C#N)C(=O)Nc3cc(C)cc(C)c3)c3ccccc32)c1 59201372 YYCDPXUMDSHKIE-HZHRSRAPSA-N 463.537 5.639 50 10 JKGE Cc1ccc2nc(Sc3ccc(/C=N/NC(=O)c4cc5cc(Br)ccc5o4)o3)[nH]c2c1 59305481 LNYIGQNKXXIMOJ-BHGWPJFGSA-N 495.358 5.888 50 10 JKGE COc1cc(/C=C(/C#N)C(=O)Nc2ccc(C)cc2)cc(Cl)c1OCc1ccc(Cl)cc1 59335340 OZPUJHVONWIOLC-ODLFYWEKSA-N 467.352 6.435 50 10 JKGE COc1cc(/C=N\NC(=O)c2ccccc2OC)ccc1Oc1ccc(C(F)(F)F)cc1[N+](=O)[O-] 59462970 SLNNCQTWSUKAIO-WKIKZPBSSA-N 489.406 5.187 50 10 JKGE O=C(C1CC1)[C@@H](Br)Cc1c(Br)cc(Br)cc1Br 110163196 XCZLXFLSAQQGLK-NSHDSACASA-N 489.827 5.259 50 10 JKGE BrCC(CBr)(CCc1cccs1)c1cccc(Br)c1 118671918 WCJSERDFUWJLKZ-UHFFFAOYSA-N 467.064 6.171 50 10 JKGE Fc1ccc(C[C@@H](Br)c2cc(Br)ccc2Br)c(F)c1 123124472 STHIVEFKIRAYNW-CYBMUJFWSA-N 454.934 6.169 50 10 JKGE Cc1cc(Br)cc([C@H](Br)c2cc(F)c(Br)cc2F)c1 132005694 ZSMJAZQWWHKXRW-AWEZNQCLSA-N 454.934 6.283 50 10 JKGE CCOc1cc(Cl)c([C@H](Br)c2ccc(Br)cc2C)cc1Cl 164570707 HTCPQYOMVSYOHE-MRXNPFEDSA-N 453.001 6.947 50 10 JKGE Cc1ccc2[nH]c(C3CCN(C(=O)N[C@H]4CC(C)(C)C[C@@](C)(CN=C=O)C4)CC3)c(C)c2c1 170290681 QSKHYLHBZAODPF-IDISGSTGSA-N 450.627 5.595 50 10 JKGE CCC[C@@H](CCBr)CNC(=O)c1cc(Br)cc(Br)c1 227496628 HAIIAAMOWYWAGA-JTQLQIEISA-N 456.016 5.143 50 10 JKGE Cc1ccc([C@@H](Br)c2cc(Br)c(Cl)s2)c(Br)c1 227844779 RMWLBXBHKGOALO-LLVKDONJSA-N 459.428 6.719 50 10 JKGE Cc1cc(F)cc(C)c1[C@@H](Cl)c1cc(I)ccc1Br 235766899 RJSGROAZLBECBJ-HNNXBMFYSA-N 453.520 6.138 50 10 JKGE Cl[C@@H](c1cc(Br)cc(Br)c1)c1cc(Br)cc2c1OCC2 236030653 NETWHDOZFLWXKN-AWEZNQCLSA-N 481.409 6.237 50 10 JKGE O=C(c1cc(I)ccc1Br)[C@@H](Cl)c1ccc(F)cc1 236259095 LMHCVPDHOCWRBR-ZDUSSCGKSA-N 453.476 5.356 50 10 JKGE O=C(NN=Cc1ccc(Cl)s1)c1cc(-c2ccc(Br)cc2)nc2ccccc12 252600518 DSBYUPUYACKSGP-UHFFFAOYSA-N 470.779 6.143 50 10 JKGE CCOc1cc(C=NNC(=O)c2ccncc2)ccc1OCCSc1ccc(Cl)cc1 252626029 QUSHMQNPULPNHA-UHFFFAOYSA-N 455.967 5.069 50 10 JKGE C=CCOc1ccc(C(=O)NN=Cc2cn(-c3ccccc3)nc2-c2ccc(OCCC)cc2)cc1 254703033 LECRXMFVDJSXDU-UHFFFAOYSA-N 480.568 5.657 50 10 JKGE Cc1cccc(COc2ccc(C=NNC(=O)CSc3nnc(-c4ccccc4)s3)cc2)c1 256028370 HQTTVOYQVUIBOX-UHFFFAOYSA-N 474.611 5.335 50 10 JKGE Fc1cccc(COc2c(Br)cc(Br)cc2CCl)c1Br 381847175 IGWJXNAITKOQGP-UHFFFAOYSA-N 487.388 6.431 50 10 JKGE Cn1ncc([C@@H](Br)c2cc(Br)ccc2Br)c1Br 383167882 FUYTXRVHSCDZAE-JTQLQIEISA-N 487.815 5.192 50 10 JKGE Clc1ccc(Br)c(COc2ccc(Br)c(CBr)c2)c1 394022687 KDKCWYFAYWTOPM-UHFFFAOYSA-N 469.398 6.339 50 10 JKGE BrCc1cc(Br)cc(Br)c1OC[C@@H]1CCC2(CCC2)O1 712409185 URLPGVNMVWKAMI-LBPRGKRZSA-N 469.011 5.587 50 10 JKGE CC1(C)[C@@H](OCc2ccccc2)C[C@H]1n1c(CCl)nc2cc(Br)c(F)cc21 718077945 LMHKXCZCJUYCPZ-MOPGFXCFSA-N 451.767 6.233 50 10 JKGE Cc1sc([C@@H](Br)c2sccc2I)c(C)c1Br 724910855 WEIVARBZIVDQQT-SECBINFHSA-N 492.039 6.278 50 10 JKGE Cc1c(C(=O)Nc2cc(Cl)ccc2Cl)oc2c1C(=NNC(=O)c1ccccc1)CCC2 1772745396 ZVDOQZMHPPRZBM-UHFFFAOYSA-N 456.329 5.618 50 10 JKGE COc1cc(C=NNC(=O)COc2ccc(C(C)(C)C)cc2)ccc1OCc1ccc(Cl)cc1 1772754318 GSAVTDVLTPMROM-UHFFFAOYSA-N 480.992 5.754 50 10 JKGE CCCCCOc1ccc([C@@H]2C(C#N)=C(N)Oc3c2c(CC)nn3Cc2c(F)cccc2Cl)cc1 1865692120 AURWSLZNRCHXBN-XMMPIXPASA-N 494.998 6.073 50 10 JKGE CCCCCCOc1ccc([C@H]2C(C#N)=C(N)Oc3c2c(CC)nn3-c2ccc(C)cc2)cc1OC 1865695947 JEQGXTCUUWGYJX-SANMLTNESA-N 486.616 5.929 50 10 JKGE CCCOc1ccccc1[C@@H]1C(C#N)=C(N)Oc2c1c(CCC)nn2Cc1ccc(Cl)cc1 1865703614 XBYQSQRLSFDUDP-HSZRJFAPSA-N 462.981 5.544 50 10 JKGE CC(C)Oc1ccccc1[C@H]1C(C#N)=C(N)Oc2c1c(-c1ccccc1)nn2Cc1ccc(Cl)cc1 1865705131 NASUSAGNHYHDOZ-VWLOTQADSA-N 496.998 6.257 50 10 JKGE CCc1ccc([C@H]2C(C#N)=C(N)Oc3c2c(-c2ccc(OC)cc2)nn3Cc2ccccc2F)cc1 1865708753 FKCJHKSFZMZJEC-VWLOTQADSA-N 480.543 5.527 50 10 JKGE CCc1ccc([C@@H]2C(C#N)=C(N)Oc3c2c(-c2ccccc2)nn3Cc2ccccc2F)cc1 1865708977 KNJWSCGBFFWDTF-XMMPIXPASA-N 450.517 5.518 50 10 JKGE Cc1ccc(C)c(Cn2nc(-c3ccccc3)c3c2OC(N)=C(C#N)[C@@H]3c2cccc(F)c2)c1 1865710670 DWIWCBUXDSFDDC-DEOSSOPVSA-N 450.517 5.573 50 10 JKGE COc1ccc(-c2nn(-c3ccccc3Cl)c3c2[C@@H](c2cccc(C)c2)C(C#N)=C(N)O3)cc1 1865710835 JNUDBEBLVXTNSY-QHCPKHFHSA-N 468.944 5.728 50 10 JKGE CCCn1nc(-c2ccccc2)c2c1OC(N)=C(C#N)[C@@H]2c1cccc(OCc2ccccc2)c1 1865711879 KKGRHMDTQRGYDT-VWLOTQADSA-N 462.553 5.757 50 10 JKGE COc1ccc([C@@H]2C(C#N)=C(N)Oc3c2c(-c2ccccc2)nn3-c2ccc(Cl)c(Cl)c2)cc1 1865713240 USMGOKLBOLOUPT-JOCHJYFZSA-N 489.362 6.073 50 10 JKGE COc1ccc([C@@H]2C(C#N)=C(N)Oc3c2c(-c2ccccc2)nn3Cc2cc(C)ccc2C)cc1 1865713300 VWWNNQKLAQTOLO-RUZDIDTESA-N 462.553 5.442 50 10 JKGE CCCC[C@@H](NC(=O)[C@@H](c1ccc(OC)c(OC)c1)C(C)C)C(=O)Nc1ccc(SC#N)cc1 1866998195 VDSDRYIHYBGZMW-ZJSXRUAMSA-N 483.634 5.330 50 10 JKGE C[C@H](c1ccccc1)N1C[C@@H](/C(O)=C(\C#N)c2nc(-c3ccc(Br)cc3)cs2)CC1=O 1872746356 DFCCVNWHMIOIAP-JNRAWFBVSA-N 494.414 5.975 50 10 JKGE COC(=O)c1ccccc1N1C[C@@H](/C(O)=C(\C#N)c2nc(-c3ccc(Cl)cc3)cs2)CC1=O 1872748204 NBDWFCCWCBRNJI-YUCJCZDXSA-N 479.945 5.096 50 10 JKGE CC(C)Oc1ccc(C/C(O)=C(\C#N)c2nc(-c3ccc(Oc4ccccc4)cc3)cs2)cc1 1872753556 CRTNCOMQBPTWMS-RFBIWTDZSA-N 468.578 7.425 50 10 JKGE CCCCOc1ccc(/C(O)=C(\C#N)c2nc(-c3cc(Cl)ccc3Cl)cs2)cc1OCC 1872758887 VKCWSTBVFPSCCO-NKFKGCMQSA-N 489.424 7.644 50 10 JKGE Cc1ccc(-c2csc(/C(C#N)=C/c3c(OCc4ccccc4)ccc4ccccc34)n2)c(C)c1 1872790458 JZTCULIJCGVRES-KOEQRZSOSA-N 472.613 8.223 50 10 JKGE Clc1ccc([C@H](Br)c2ccc(OCc3ccccc3)cc2Br)o1 1899849637 OSQYCDAZVFCTLP-GOSISDBHSA-N 456.561 6.759 50 10 JKGE C[C@H](c1cccs1)N(Cc1ccccc1)S(=O)(=O)c1ccc(CBr)cc1 1914881430 XEMJFQOJVCZJNI-MRXNPFEDSA-N 450.423 5.595 50 10 JKGE O=S(=O)(c1cc(CCl)ccc1Br)N(Cc1ccccc1)Cc1cccs1 1914893299 WJCLKSPXZIJSRY-UHFFFAOYSA-N 470.841 5.641 50 10 JKGE BrC[C@@H](C1CC1)N(CCOc1cccc(Br)c1)Cc1ccccc1 1915218007 WDPXWJNEORDVHA-FQEVSTJZSA-N 453.218 5.504 50 10 JKGE CCC(F)(F)C(C)(C)[C@@H](Br)c1sc(Br)cc1Br 1922886730 LPQPIQBXENHREN-VIFPVBQESA-N 455.000 6.781 50 10 JKGE FC(F)(F)C1([C@@H](Br)c2c(Br)sc(Br)c2Cl)CCC1 1923066332 OKWIIPAOPPCUKN-LURJTMIESA-N 491.392 7.095 50 10 JKGE CC(C)C1CC([C@H](Cl)c2c(Br)sc(Br)c2Br)C1 1924568662 JXAQKUDDIWMBEE-QIMWKCOFSA-N 465.476 6.998 50 10 JKGE O=S1(=O)CCC[C@@H]([C@@H](Br)c2c(Cl)sc(Br)c2Cl)C1 1925547917 XBGXTTPCZXMFIO-IYSWYEEDSA-N 457.036 5.078 50 10 JKGE Fc1cc(Cl)c(Br)cc1[C@H](Br)c1ccc(Br)s1 1948504832 PGPYWIBIKGDSJK-NSHDSACASA-N 463.391 6.550 50 10 JKGE COCC(C)(C)N(Cc1ccccc1)c1c(CBr)ccc(Br)c1Cl 1948741666 XJLFGCJJAVNOLO-UHFFFAOYSA-N 475.652 6.429 50 10 JKGE Cl[C@@H](c1ccc(Br)cc1I)c1sccc1Br 1995285507 IENOSCRHEKYNOV-JTQLQIEISA-N 492.401 6.206 50 10 JKGE Cc1sc([C@@H](Br)c2nn(C)c(Cl)c2Br)cc1Br 2001993349 KJZNLWYJNHKMAB-SSDOTTSWSA-N 463.420 5.453 50 10 JKGE C[C@@H]1C[C@@H]([C@@H](Br)c2c(Br)sc(Br)c2Cl)CCO1 2011644525 OWMHOTDRVJWXFP-GKROBHDKSA-N 467.448 6.178 50 10 JKGE Cc1c(Br)ccc([C@H](Cl)c2cc(Br)cs2)c1Br 2024285424 YTOKKCHIXICDJE-LBPRGKRZSA-N 459.428 6.672 50 10 JKGE N#CC(=CC1=C(N2CCOCC2)C(=Cc2cccc([N+](=O)[O-])c2)CC1)c1nc2ccccc2s1 2053562728 ZABSYIPSRRDTNB-UHFFFAOYSA-N 470.554 5.575 50 10 JKGE CC(C)CN(Cc1ccccc1)S(=O)(=O)c1cc(CBr)c(Cl)cc1Cl 2059289332 PWHKLUWDVZKVOT-UHFFFAOYSA-N 465.240 5.735 50 10 JKGE O=C(NC1(CCBr)CCCCC1)c1csc(Br)c1Br 2093942149 LNTGMHGFEVNHFN-UHFFFAOYSA-N 474.056 5.491 50 10 JKGE Brc1cccc(C[C@@H]2C[C@@H]3CCCC[C@H]3[C@H]2Br)c1Br 2095363833 UOXIRZKJYZXQOB-DNVSUFBTSA-N 451.040 6.344 50 10 JKGE CN(c1c(CCl)ccc(Br)c1Cl)[C@@H]1CC(C)(C)[C@@H]1OCc1ccccc1 2100212346 YZBNYHJENZOQJM-YLJYHZDGSA-N 457.239 6.661 50 10 JKGE O=C(c1cc(Br)c(Br)s1)N1CC[C@H](Br)CC12CCC2 2113572743 QZWZQYMAYQORLY-QMMMGPOBSA-N 472.040 5.195 50 10 JKGE C[C@H](CCCCCBr)NC(=O)c1cc(Cl)ccc1I 2117892846 FQNYSBVSXKFMJV-SNVBAGLBSA-N 458.565 5.018 50 10 JKGE F[C@H](COc1c(Br)cc(Br)cc1CBr)C1CCCC1 2121598710 LYYAGAKHEJJMTP-CYBMUJFWSA-N 458.991 6.014 50 10 JKGE BrCc1cc(Br)c(OC[C@@H]2C[C@@H]3CC[C@@H]3C2)c(Br)c1 2132517713 CKWYZCQVDDUVIL-ZSBIGDGJSA-N 453.012 5.922 50 10 JKGE Cc1cc(Br)c(C)c([C@@H](Br)c2csc(C)c2C)c1Br 2136367325 PVOCHSYXDDUUCA-HNNXBMFYSA-N 467.064 6.991 50 10 JKGE COc1cc(Cl)c([C@H](Cl)c2cccc(I)c2)cc1Br 2137661697 FIUNBFIZZJFIMH-CQSZACIVSA-N 471.947 6.044 50 10 JKGE Cc1c(Br)sc([C@H](Br)C2C3(CCC3)C23CCC3)c1Br 2139148902 WLMNQWGAJSMMRQ-JTQLQIEISA-N 469.080 6.988 50 10 JKGE CCC[C@@H]1CN(Cc2cc(Br)ccc2Br)C[C@@H]1CBr 2140782759 CVUCVAQRDOIYMN-YPMHNXCESA-N 454.044 5.455 50 10 JKGE C[C@@H]1Cc2cc([C@H](Br)c3cccc(OCc4ccccc4)c3)cc(Br)c2O1 2146628129 SNYKUMAOUMRJGX-IVZQSRNASA-N 488.219 6.836 50 10 JKGE CC[C@@H](Cl)[C@@H]1CCCCN1C(=O)c1ccc(I)c(Br)c1 2170598979 BQPLGYHHIRLSBN-OCCSQVGLSA-N 470.576 5.066 50 10 JKGE CCc1nn(C)c([C@@H](Br)[C@@H](C)c2ccncc2Br)c1Br 2192373600 JHVMTBZXUYZLBT-UFBFGSQYSA-N 466.015 5.142 50 10 JKGE COc1cc(Cl)c([C@@H](Br)c2cccc(Br)c2F)cc1Br 2202350884 GOIWTSHQLGSADQ-ZDUSSCGKSA-N 487.388 6.497 50 10 JKGE CCn1cc([C@H](Br)c2cc(Br)cc(Cl)c2OC)nc1Br 2202994933 NXWBXIDDGYJBCF-LLVKDONJSA-N 487.417 5.574 50 10 JKGE COc1c(Cl)cc(Br)cc1[C@H](Br)c1ccc(Br)cc1C 2203004232 QXNMPXZZXGPZAC-CQSZACIVSA-N 483.425 6.666 50 10 JKGE COC1(C(F)(F)F)CC([C@@H](Br)c2ccc(Br)cc2Br)C1 2203704562 LLKZBHGOJBWKPT-JBGOAQBUSA-N 480.944 6.005 50 10 JKGE COc1cc(F)c(Cl)cc1[C@@H](Cl)c1ccc(I)c(Br)c1 2207379442 PZZRTNNZSRMYOT-AWEZNQCLSA-N 489.937 6.183 50 10 JKGE Cc1c(Br)csc1[C@@H](Br)c1sc(Cl)cc1Br 2210635304 HQVMRCZRKLHZEK-MRVPVSSYSA-N 465.457 6.781 50 10 JKGE Cc1cc(Br)c([C@@H](Cl)c2c(Br)sc(Br)c2Cl)s1 2215944117 VSFCZACBKRKYDU-LURJTMIESA-N 499.902 7.387 50 10 JKGE Cc1cc([C@@H](Cl)c2cc(Br)c(Br)cc2F)c(Br)s1 2218595879 BFDDLZAEZKULDX-NSHDSACASA-N 477.418 6.811 50 10 JKGE Cc1sc(Br)c(C)c1[C@@H](Br)Cc1ccccc1Br 2218805690 MSYVQBHVVQICQF-LBPRGKRZSA-N 453.037 6.569 50 10 JKGE Cc1ccc(I)c([C@@H](Br)c2ccc(Cl)c(Cl)c2)c1 2224051517 DURZEYOJGLUNCG-AWEZNQCLSA-N 455.948 6.391 50 10 JKGE Fc1cc(Br)c(Br)cc1[C@H](Br)[C@@H]1CC[C@@H]2[C@@H]1C2(F)F 2225618630 YYCPBWVOSDOIDX-SBVUMJCTSA-N 462.929 6.078 50 10 JKGE CC1(C)CCC[C@](CBr)(Cc2cccc(Br)c2Br)O1 2226847117 ARCFUFCMFAWMAE-OAHLLOKOSA-N 455.028 5.867 50 10 JKGE Fc1cc(F)cc([C@H](Br)c2c(Br)cc(Cl)c(Cl)c2Cl)c1 2232514839 XAGRTFKYEJQEOC-NSHDSACASA-N 465.346 7.172 50 10 JKGE Fc1cc(Br)c(Br)cc1[C@H](Cl)c1cscc1C(F)(F)F 2233968951 GHRNRBRJUWUBDE-NSHDSACASA-N 452.492 6.759 50 10 JKGE Cl[C@H](c1c(Br)sc(Br)c1Br)[C@@H]1CCC12CCC2 2247326284 JNPUUKYRJVKDOA-RCOVLWMOSA-N 463.460 6.896 50 10 JKGE CC(C)(C)OC(=O)N1CCC[C@@](CI)(OCC[C@@H]2CCCC23CC3)C1 2255319773 ICKHGYBCMWKBFN-JXFKEZNVSA-N 463.400 5.178 50 10 JKGE COc1ccc([C@H](Br)c2ccc(Br)s2)c(Br)c1Cl 2256323910 VGYDXBYXJMERTN-JTQLQIEISA-N 475.427 6.419 50 10 JKGE Fc1cc(Br)c(F)c(Br)c1[C@@H](Br)[C@H]1C[C@H]2CC[C@H]1O2 2272730140 BJMYIYRNQKQWIU-JUQFDLSGSA-N 460.938 5.493 50 10 JKGE COc1ccc([C@H](Br)c2c(Br)cccc2Br)c(OC)c1 2287083041 MHYXVMIQVPIDCW-HNNXBMFYSA-N 464.979 5.713 50 10 JKGE N#CC(=CNc1ccc(Cl)cc1C(=O)c1ccccc1)c1nc(-c2ccc3c(c2)OCO3)cs1 2295948571 MOJDGIDMOREMIU-UHFFFAOYSA-N 485.952 6.400 50 10 JKGE COc1ccc(NC=C(C#N)c2nc(-c3cc4cc(Cl)ccc4oc3=O)cs2)cc1OC 2296798363 IZPUNQYNDJQPIH-UHFFFAOYSA-N 465.918 5.564 50 10 JKGE Cc1cccc(C)c1NC(SCc1cccc(Cl)c1)=C(C#N)S(=O)(=O)c1ccccc1 2297349975 JAEZQYGHBYSGSX-UHFFFAOYSA-N 469.031 6.469 50 10 JKGE N#CC(=Cc1cn(Cc2ccc(Br)cc2)c2ccccc12)C(=O)Nc1ccc(O)cc1 2297551930 WZLPOMFYRCJYAO-UHFFFAOYSA-N 472.342 5.703 50 10 JKGE N#CC(=Cc1cc(Br)c(Sc2ccc(Cl)cc2)o1)C(=O)NCc1ccccc1 2313565024 NELMDHIIWIOQKZ-UHFFFAOYSA-N 473.779 6.070 50 10 JKGE COc1cccc(C=C(C#N)C(=O)Nc2cccc3ccccc23)c1OCc1ccccc1Cl 2313676783 FUPDMINXVAIAPC-UHFFFAOYSA-N 468.940 6.626 50 10 JKGE C[C@]1([C@@H](Br)c2cc(Br)ccc2OCc2ccccc2)CCCC1(F)F 2314456348 WLALTISGNUKGLS-RBUKOAKNSA-N 474.183 7.290 50 10 JKGE N#CC(=Cc1c[nH]nc1-c1cccc([N+](=O)[O-])c1)C(=O)Nc1ccc(Cl)c(C(F)(F)F)c1 2314487417 IKYWYQPELLXXCG-UHFFFAOYSA-N 461.787 5.203 50 10 JKGE Cc1cccn2c(=O)c(C=C(C#N)C(=O)Nc3ccccc3Cl)c(Oc3ccc(F)cc3)nc12 2314532284 IVEMNWVOTWVYHU-UHFFFAOYSA-N 474.879 5.133 50 10 JKGE Cc1ccc(N2C(=O)[C@@H](Cc3ccccc3C)SC2=C(C#N)C(=O)N[C@H](C)c2ccccc2)cc1C 2314593609 PXGVKFLNQPZBBW-AJTFRIOCSA-N 495.648 5.916 50 10 JKGE CC(C)(C)c1ccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)C=Cc4ccccc4Cl)ccc32)cc1 2314634211 DOWSEWYBBVJYCH-HHHXNRCGSA-N 484.983 6.474 50 10 JKGE Fc1c(Br)cc(Cl)c([C@H](Br)[C@@H]2CC[C@H]3C[C@@H]32)c1Br 2315450609 FXKQCHFQNMXTIA-QMWPFBOUSA-N 461.394 6.486 50 10 JKGE Cc1cc(Br)c(F)c(Br)c1[C@@H](Br)C1(C(F)F)CC1 2317397263 AFLSWZARMOVVLT-SNVBAGLBSA-N 450.918 6.140 50 10 JKGE COc1ccc(C(C#N)=Cc2ccc(OC(=O)c3cc(OC)c(OC)c(OC)c3)cc2)cc1OC 2320507218 FOYRUWYNGPBNAF-UHFFFAOYSA-N 475.497 5.013 50 10 JKGE CCCCCOc1ccc(C=C(C(=O)N=c2[nH]nc(CCl)s2)c2ccccc2)cc1OC 2325255621 DGTPOMWVVAQCOT-UHFFFAOYSA-N 472.010 5.456 50 10 JKGE COc1ccc([C@H](C)NC=C(C#N)C(=O)Nc2ccccc2Sc2ccccc2)cc1OC 2325336241 WJJPZYRGVAIJGC-SFHVURJKSA-N 459.571 5.552 50 10 JKGE CCCOc1ccc(-c2csc(C(C#N)=C(O)c3cccc(OCC(C)C)c3)n2)cc1OCCC 2331293529 VQTUBBLFPVOXME-UHFFFAOYSA-N 492.641 7.372 50 10 JKGE Cc1c([N+](=O)[O-])cc(C(O)=C(C#N)c2nc(-c3ccc(Cl)c(Cl)c3)cs2)cc1[N+](=O)[O-] 2331311844 DBIGXDZCWVRJGS-UHFFFAOYSA-N 477.285 6.192 50 10 JKGE CCCOc1ccc(CC(O)=C(C#N)c2nc(-c3cc(Cl)cc(Cl)c3OC)cs2)cc1 2331362487 QCHRPHBJGPWVAS-UHFFFAOYSA-N 475.397 6.950 50 10 JKGE CCCCCCOc1ccc(C(O)=C(C#N)c2nc(-c3cc(C)c(Cl)cc3OC)cs2)cc1 2331390651 YFRMSYYDRFZAAL-UHFFFAOYSA-N 483.033 7.690 50 10 JKGE CCCCCCOc1ccc(C=C(C#N)c2nc(-c3cc(Cl)ccc3Cl)cs2)cc1OC 2331488551 DVJMHAMMBRRCFD-UHFFFAOYSA-N 487.452 8.149 50 10 JKGE Brc1ccc(OCc2ccccc2)c([C@H](Br)[C@H]2Cc3ccccc3O2)c1 2336048740 WYDFXSDPCCNKRN-YADHBBJMSA-N 474.192 6.468 50 10 JKGE Brc1cc(OCc2ccccc2)ccc1[C@H](Br)C(C1CCC1)C1CCC1 2336051417 RPDJDALEALXLDB-QHCPKHFHSA-N 478.268 7.681 50 10 JKGE CC[C@@H](c1ccccc1)[C@H](Br)c1ccc(OCc2ccccc2)cc1Br 2336051796 VICPBEHKASXNOJ-REWPJTCUSA-N 474.236 7.658 50 10 JKGE Fc1c(Br)cc(Cl)c([C@@H](Br)C2CCCCCC2)c1Br 2337115326 ZORVOXRBFPERMQ-LBPRGKRZSA-N 477.437 7.411 50 10 JKGE Cc1cc(Br)c(F)c(Br)c1[C@H](Br)CCOCC(F)F 2339645056 DWCPBCDLXRRNKQ-SSDOTTSWSA-N 468.933 5.767 50 10 JKGE Cc1cc(CCl)cnc1OCc1ccc(I)c(Br)c1 2350057742 JAEWLJGSXJVBAP-UHFFFAOYSA-N 452.517 5.075 50 10 JKGE FC(F)(F)C1([C@@H](Cl)c2cc(Br)ccc2OCc2ccccc2)CCCCC1 2361169259 SZSLHMARRIZNEY-IBGZPJMESA-N 461.749 7.821 50 10 JKGE CCCCCCCCCC[C@H](Cl)c1cc(Br)ccc1OCc1ccccc1 2361169324 UHOMTPJBSZSJKF-QHCPKHFHSA-N 451.876 8.839 50 10 JKGE FCCOc1ccc([C@H](Br)c2ccc(OCc3ccccc3)cc2Br)cc1 2361172565 PLGGQMYEBDGHBZ-QFIPXVFZSA-N 494.198 6.861 50 10 JKGE COc1cc(COc2c(Br)cccc2CBr)c(Br)cn1 2362090494 ZPTAYKRZQBTQDR-UHFFFAOYSA-N 465.967 5.089 50 10 JKGE Cc1cc(Br)c(F)c(Br)c1[C@H](Br)[C@@H]1OC[C@H]2CCC[C@H]21 2365228870 UEYNMDHJABZEOM-FOQKATJHSA-N 471.002 5.910 50 10 JKGE Clc1ccc([C@H](Br)c2ccc3c(c2)CCCC3)c(I)c1 2365595529 LBVUBPMUNVJTKQ-QGZVFWFLSA-N 461.568 6.308 50 10 JKGE Clc1cc(Cl)cc(CC[C@H](Cl)c2cc(Br)ccc2Br)c1 2366876767 PPIOYTWVYNGLJU-HNNXBMFYSA-N 457.420 7.431 50 10 JKGE CCOc1ccc([C@@H](Br)c2cc(Br)ccc2Br)c(F)c1 2367480958 LVKTVAOAMWQWTO-OAHLLOKOSA-N 466.970 6.234 50 10 JKGE Cc1scc([C@@H](Br)c2cc(Br)c3c(c2)C[C@@H](C)O3)c1Br 2369596085 JUOXWBYDRARARP-UOWDBTKRSA-N 481.047 6.389 50 10 JKGE CCCCOC(=O)c1ccc(N/C=C(\C#N)c2nc(-c3cc4ccccc4oc3=O)cs2)cc1 17270508 VDWOIEIEZKCJLD-XDJHFCHBSA-N 471.538 5.850 50 10 JKGE N#C/C(=C\c1ccc(-n2nc(-c3ccccc3)cc2-c2ccccc2)cc1)c1nc2ccccc2s1 33568610 XATUEDBUKGPJJN-NCELDCMTSA-N 480.596 7.880 50 10 JKGE CCCCc1ccc(-c2csc(/C(C#N)=C\c3ccccc3I)n2)cc1 33927893 UYPHBTDDSQJUCE-UYRXBGFRSA-N 470.379 6.821 50 10 JKGE CCCCOc1ccc(/C=C2/C(=O)N(Cc3ccccc3Cl)C(=O)C(C#N)=C2C)cc1OCC 38608781 HYEZKEXGKVTTHU-KGENOOAVSA-N 478.976 5.710 50 10 JKGE Cc1cccc(C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@@H]3c2cccc(OCc3ccccc3)c2)c1 38686497 GZXKKGYNKQOKAL-GDLZYMKVSA-N 488.543 6.011 50 10 JKGE Cc1ccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4sc5cc(C)ccc5c4Cl)ccc32)cc1 38686937 GGMNYZNSIFTWRF-QHCPKHFHSA-N 486.980 6.609 50 10 JKGE Cc1ccccc1C(=O)N/N=C1\CCCc2oc(C(=O)Oc3cc(C)c(Cl)c(C)c3)c(C)c21 40811572 FVPHVXFRTRQNOR-VFCFBJKWSA-N 464.949 5.856 50 10 JKGE Cc1c(C(=O)N2c3ccc(F)cc3CC[C@@H]2C)oc2c1/C(=N/NC(=O)c1ccccc1F)CCC2 40812349 APBYELBLUIREAP-ZEGMAUPVSA-N 477.511 5.318 50 10 JKGE COc1ccc(NC(=O)c2oc3c(c2C)/C(=N/NC(=O)c2cccc4ccccc24)CCC3)cc1 40813609 UYWSAYNAGPVBAM-JJKYIXSRSA-N 467.525 5.473 50 10 JKGE COc1ccc(C(=O)N/N=C2\CCCc3oc(C(=O)Nc4cccc5ccccc45)c(C)c32)cc1 40813849 GNSXDNYZEFLYRB-JJKYIXSRSA-N 467.525 5.473 50 10 JKGE CCCCc1ccc(NC(=O)c2oc3c(c2C)/C(=N/NC(=O)c2ccccc2O)CCC3)cc1 40826336 YXGNLAFXSGEOJL-XHLNEMQHSA-N 459.546 5.359 50 10 JKGE O=C(N/N=C/c1ccc(-c2cccc(Cl)c2)o1)C(=O)Nc1ccc(Cl)c(C(F)(F)F)c1 58914643 BEPZUSBZECPSCY-NSKAYECMSA-N 470.234 5.361 50 10 JKGE CCOc1cc(/C=C(/C#N)C(=O)NCc2ccc3c(c2)OCO3)ccc1OCc1ccccc1Cl 59291983 IMBXHGKQLGIYMJ-NHDPSOOVSA-N 490.943 5.270 50 10 JKGE COc1ccc(/N=N/c2ccc(N=P(c3ccccc3)(c3ccccc3)c3ccccc3)cc2)cc1 96022854 QILBRYDOWVIUAI-ULIFNZDWSA-N 487.543 7.920 50 10 JKGE N#C/C(=C/c1ccc(OC(=O)c2ccc(Cl)cc2Cl)cc1)C(=O)Nc1ccccc1C(=O)O 96624527 URSOZQBCFPUGHR-PTNGSMBKSA-N 481.291 5.456 50 10 JKGE CCOc1cc(/C=C(/C#N)C(=O)NCc2ccc(C)cc2)ccc1OC(=O)c1ccccc1Cl 98063454 HZNCGPKICLLUGZ-STZFKDTASA-N 474.944 5.490 50 10 JKGE COc1c(Br)cc(Cl)cc1[C@@H](Br)c1cc2sccc2s1 123729969 FMAWQWWCXSSRKD-CYBMUJFWSA-N 452.620 6.872 50 10 JKGE COc1c(C)cc(Br)c(C)c1[C@H](Br)c1ccc(C)cc1Br 125678562 KYVNWUFZCCOEIN-MRXNPFEDSA-N 477.034 6.630 50 10 JKGE CCOc1cc(Cl)c([C@H](Br)c2cc(F)cc(Br)c2)cc1Cl 164555702 ZHZPVASVOPUKSC-OAHLLOKOSA-N 456.964 6.778 50 10 JKGE CCOc1cc(Cl)c([C@@H](Br)c2ccc(Br)cc2C)cc1Cl 164570817 HTCPQYOMVSYOHE-INIZCTEOSA-N 453.001 6.947 50 10 JKGE CCOc1cc(/C=C(/C#N)c2nc3ccccc3n2CC)ccc1OCc1cc(C)ccc1C 169939792 UYLHYSKSLVHKDH-KQWNVCNZSA-N 451.570 6.715 50 10 JKGE Cc1ccc(CCl)cc1NC(=O)c1ccc(Nc2nc(-c3ccccc3)c3ccccc3n2)cc1 204078730 FXGZKSPJWFOLTD-UHFFFAOYSA-N 478.983 7.340 50 10 JKGE CCCCOc1ccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)/C=C\c4ccc(OC)cc4)ccc32)cc1 205642886 FCXPMQNSOZFGLN-IERSENCKSA-N 496.563 5.711 50 10 JKGE CC(C)c1ccc(/C=C(/C#N)C(=O)Oc2ccc3cc(C(=O)NCc4ccccc4)c(=O)oc3c2)cc1 206523155 GRXNAXKTTWXUIK-OYKKKHCWSA-N 492.531 5.359 50 10 JKGE CC(C)(C)[Si](C)(C)OC[C@@H]1OC=C[C@@H](O[Si](C)(C)C(C)(C)C)[C@H]1OCc1ccccc1 221064464 CZGTZYNJABAJPH-XPWALMASSA-N 464.795 6.897 50 10 JKGE COc1ccc([C@H](Br)c2ccc(Br)cc2F)c(OC)c1Br 224850531 CFIXDUCYJVJDHR-CYBMUJFWSA-N 482.969 5.852 50 10 JKGE CCOc1ccc([C@@H](Br)c2cccc(Br)c2Cl)c(Br)c1 228453897 QZVDOLNLKJVENZ-CQSZACIVSA-N 483.425 6.748 50 10 JKGE COc1ccc([C@@H](Cl)c2cc(Br)sc2Br)c(OC)c1Cl 234975940 YGECTHJQIJPHNM-SNVBAGLBSA-N 461.002 6.272 50 10 JKGE CN(c1ccc([N+](=O)[O-])cc1C=NNC(=O)COc1ccc2ccccc2c1)C1CCCCC1 254509079 LAAOGRFMCFGVBW-UHFFFAOYSA-N 460.534 5.046 50 10 JKGE CCCCCc1ccc(OCC(=O)NN=Cc2cc(Br)cc(Br)c2O)cc1 254550427 OZIYHVWBDVYSGL-UHFFFAOYSA-N 498.215 5.179 50 10 JKGE CC(CCc1ccccc1)=NNC(=O)c1ccc([C@H]2SCC(=O)N2Cc2ccccc2)cc1 254555651 CRXTWVQHWJOABH-HHHXNRCGSA-N 457.599 5.199 50 10 JKGE CC(=NNC(=O)c1sc2ccccc2c1Cl)c1cccc(NC(=O)/C=C\c2ccccc2)c1 254740189 NGUSOSAIAXRAEF-NTHRGXQWSA-N 473.985 6.361 50 10 JKGE Cc1ccc2nc(-c3ccc(C(C)C)cc3)cc(C(=O)NN=Cc3cc4c(cc3Cl)OCO4)c2c1 254792457 QZVAAWIFQJXIQA-UHFFFAOYSA-N 485.971 6.480 50 10 JKGE CC(=NNC(=O)CSc1nc2ccccc2n1Cc1ccccc1)c1ccc(-c2ccccc2)cc1 254840587 FEYMRUNKNMPGAV-UHFFFAOYSA-N 490.632 6.384 50 10 JKGE Fc1cc(Cl)ccc1[C@@H](Br)c1scc(C(F)(F)F)c1Br 380225764 KEYSWWZUUVXSQQ-SECBINFHSA-N 452.492 6.806 50 10 JKGE Cc1cc(C)c([C@@H](Br)c2cc(F)cc(Br)c2)c(C)c1Br 380442005 OAJURQQQJZBYJN-INIZCTEOSA-N 464.998 6.760 50 10 JKGE Cc1ccc(Br)cc1[C@@H]1CN(C(=O)OC(C)(C)C)C[C@@H]1CI 382721047 NLJFPYWRVKRUAG-SWLSCSKDSA-N 480.184 5.143 50 10 JKGE C[C@H]1CCC[C@H](CC(CBr)(CBr)c2cccc(Br)c2)C1 383793804 XDIFKOQYMLGQPP-KBPBESRZSA-N 467.083 6.693 50 10 JKGE BrC[C@@H](Cc1ccc(Br)cc1)Cc1ccsc1Br 388889843 NEJPRTLNJTXZJW-NSHDSACASA-N 453.037 6.069 50 10 JKGE Fc1ccc([C@@H](Br)c2c(Br)cc(F)c(F)c2F)cc1Br 398740647 QGARCOCYKIOFQM-LLVKDONJSA-N 476.887 6.252 50 10 JKGE COc1ccc([C@H](Br)c2nscc2Br)c(OC)c1Br 404774527 KSGYXXOAMXQQDW-VIFPVBQESA-N 471.996 5.170 50 10 JKGE Fc1ccc([C@@H](Cl)c2cc(Br)ccc2I)c(F)c1Cl 689688121 CMHKSUQCHZZHDJ-LLVKDONJSA-N 477.901 6.314 50 10 JKGE C[C@H]1CCCN(C(=O)c2cc(Br)cc(Br)c2)[C@H]1CCBr 697202303 XOGCPDLCKYHNSE-HZMBPMFUSA-N 468.027 5.237 50 10 JKGE CC1(C)C[C@@H](Br)CCN(C(=O)c2scc(Br)c2Br)C1 707821386 XKVXXNFFHPLCCM-QMMMGPOBSA-N 474.056 5.299 50 10 JKGE Cc1ccc([C@H](Br)Cc2ccc(Br)cc2F)c(C)c1Br 719598888 QEAGMDTWPHLNNW-CQSZACIVSA-N 464.998 6.646 50 10 JKGE Fc1cc2c(cc1Br)nc(CCl)n2CC[C@@H]1CCN(Cc2ccccc2)C1 723941349 WMUJMCUNVSRRET-INIZCTEOSA-N 450.783 5.589 50 10 JKGE N#C/C(=C/c1ccc(OCc2c(Cl)cccc2Cl)cc1)C(=O)Nc1cccc([N+](=O)[O-])c1 1084655544 KVUIWNFDGATUKU-WJDWOHSUSA-N 468.296 6.026 50 10 JKGE Cc1ccc(C)c(NC(=O)c2oc3c(c2C)C(=NNC(=O)c2ccc(Br)cc2)CCC3)c1 1772743935 OLPLAUJUXMBQHA-UHFFFAOYSA-N 494.389 5.690 50 10 JKGE COc1ccccc1C(=O)NN=C1CCCc2oc(C(=O)Nc3ccc(C)c(Cl)c3)c(C)c21 1772746677 ZGQRULHIFZQLHA-UHFFFAOYSA-N 465.937 5.281 50 10 JKGE N#CC1=C(N)Oc2c(c(-c3ccccc3)nn2-c2ccc(Br)cc2)[C@H]1c1cccc(O)c1 1865681280 JGSPIRPTXQKROM-NRFANRHFSA-N 485.341 5.226 50 10 JKGE COc1ccc(-c2nn(Cc3ccccc3Cl)c3c2[C@H](c2cccc(O)c2)C(C#N)=C(N)O3)cc1 1865681350 KZRZPPIQFWZWGE-HSZRJFAPSA-N 484.943 5.184 50 10 JKGE CCCOc1ccc([C@H]2C(C#N)=C(N)Oc3c2c(CC)nn3Cc2cccc(F)c2)cc1OCC 1865690828 CAWSNJXRQYDPJY-DEOSSOPVSA-N 476.552 5.039 50 10 JKGE CCCCCOc1ccc([C@H]2C(C#N)=C(N)Oc3c2c(-c2ccccc2)nn3CCC)cc1OCC 1865690857 CQZHWDPNZLWUFF-VWLOTQADSA-N 486.616 6.146 50 10 JKGE Cc1ccccc1COc1ccc([C@@H]2C(C#N)=C(N)Oc3c2c(C(F)(F)F)nn3CC(C)C)cc1 1865703067 MDWWBIQHVZBQQB-OAQYLSRUSA-N 482.506 5.664 50 10 JKGE CC(C)Oc1ccccc1[C@H]1C(C#N)=C(N)Oc2c1c(C(F)(F)F)nn2-c1cccc(Cl)c1 1865704769 DHMAWVVUASKLNK-SFHVURJKSA-N 474.870 5.550 50 10 JKGE COC(=O)c1ccc([C@@H]2C(C#N)=C(N)Oc3c2c(-c2ccccc2)nn3-c2cccc(Cl)c2)cc1 1865709518 XBCPEALYMKOFKB-JOCHJYFZSA-N 482.927 5.197 50 10 JKGE Cc1ccc(-c2ccc(C(=O)NNC(=O)/C=C/c3ccc(Cl)cc3Cl)c(C)n2)cc1C 1865756057 DEQIVVBXADRGDO-YRNVUSSQSA-N 454.357 5.455 50 10 JKGE CC[C@@H](NC(=O)Cc1nc(-c2ccc(C(C)(C)C)cc2)oc1C)C(=O)Nc1ccc(SC#N)cc1 1866680002 FUASERUVTXRKJP-JOCHJYFZSA-N 490.629 5.597 50 10 JKGE C[C@@H](c1cccs1)N1CCN(c2cc(Nc3ccc(SC#N)cc3)nc(C(C)(C)C)n2)CC1 1868342024 HYZVKFAWQRXSFS-SFHVURJKSA-N 478.691 6.036 50 10 JKGE COc1cc2nc(/C(C#N)=C/c3ccccc3OCc3ccccc3Cl)nc(O)c2cc1OC 1872727737 XGZVMLOAXAICFT-WOJGMQOQSA-N 473.916 5.649 50 10 JKGE COc1ccc(OCCC/C(O)=C(\C#N)c2nc(-c3ccc(OC)c(OC)c3)cs2)cc1 1872745633 WRILCPFXRJAPMB-VZCXRCSSSA-N 452.532 5.488 50 10 JKGE COc1cc(/C=C(\C#N)c2nc(-c3ccc(C)cc3)cs2)ccc1OCCCc1ccccc1 1872790876 JCJIMFLLLDKEDY-KOEQRZSOSA-N 466.606 7.203 50 10 JKGE COc1cc(/C=C(\C#N)c2nc(-c3c[nH]c4ccccc34)cs2)ccc1OCc1ccccc1 1872791419 IUNLWFDRKYZRRY-FYJGNVAPSA-N 463.562 6.943 50 10 JKGE N#C/C(=C\c1ccc(OC(=O)c2ccccc2)cc1)c1nc(-c2cccc3ccccc23)cs1 1872792427 YOUXIWDDRLJMOK-HAVVHWLPSA-N 458.542 7.247 50 10 JKGE COC(=O)c1c(NC(=O)[C@H](C)Oc2ccc(Cl)cc2Br)sc(/C(C)=C/C#N)c1C 1873428953 YPJVJVZZCYPIRM-PMDBQALLSA-N 497.798 5.592 50 10 JKGE CCCCOc1ccc(/C(O)=C(\C#N)c2nc(-c3cc(OC)ccc3OC)cs2)cc1OCC 1873921155 XPTUZJHTJJGIMO-QQTULTPQSA-N 480.586 6.355 50 10 JKGE CCC[C@H]1CC[C@H]([C@@H](Br)c2c(Br)sc(Br)c2Cl)CC1 1878021257 RDXONILLXWKIEW-FXPVBKGRSA-N 493.530 7.969 50 10 JKGE C[C@@H](Cl)c1nc2cc(I)ccc2n1C[C@H]1C[C@@H](Br)C1 1887923958 LIICHCVNOUSBHZ-BBBLOLIVSA-N 453.549 5.114 50 10 JKGE CC(C)[C@H](CBr)CSc1cc(I)ccc1Br 1900779930 KOVBJFBGAMJUFY-SECBINFHSA-N 478.031 5.813 50 10 JKGE CCC[C@@H](CBr)CSc1cc(I)ccc1Br 1900780361 NKXBVDKPUCIZAZ-VIFPVBQESA-N 478.031 5.957 50 10 JKGE Fc1cc(Br)c2nc(CCl)n(CC3CCN(Cc4ccccc4)CC3)c2c1 1912681095 ZNOLIEBTMWUKAV-UHFFFAOYSA-N 450.783 5.589 50 10 JKGE BrCCCN(Cc1ccccc1)Cc1c(Br)cccc1Br 1914623161 TVFLUDHJRMUXLW-UHFFFAOYSA-N 476.050 5.999 50 10 JKGE O=C(c1ccc(Br)c(C(F)(F)F)c1)N(Cc1ccccc1)[C@H](CCl)C1CC1 1915177460 VHGYTMRXSXTZFR-GOSISDBHSA-N 460.721 6.128 50 10 JKGE COc1cc([C@H](Br)c2cc(C)c(Br)o2)c(OC)cc1Br 1917611375 DJOBYVKQZXAOBW-ZDUSSCGKSA-N 468.967 5.615 50 10 JKGE Clc1sc(Cl)c([C@H](Cl)c2csc(Br)c2Br)c1Cl 1925548781 OCTXCYFXVSOKDX-RXMQYKEDSA-N 475.869 7.623 50 10 JKGE Clc1sc(Br)c(Cl)c1[C@@H](Br)c1nscc1Br 1925617651 JHARZEHGHDHENZ-SCSAIBSYSA-N 486.863 6.521 50 10 JKGE ClCc1c(Cl)nc(Cl)n1-c1cc(I)ccc1Br 2006638063 JGSJDKKBXJDVTA-UHFFFAOYSA-N 466.331 5.285 50 10 JKGE CO[C@@H]1CC[C@@H]1C[C@@H](Cl)c1c(Br)sc(Br)c1Br 2013839921 TYTHMXCYTBGYOT-FSDSQADBSA-N 467.448 6.131 50 10 JKGE Cc1cc(Br)c(F)c([C@H](Br)c2cc(Br)sc2C)c1 2028924268 PEGVWNKTVUHMIE-GFCCVEGCSA-N 457.000 6.513 50 10 JKGE CCc1cc(Br)c([C@H](Br)c2c(F)cccc2Br)s1 2029232743 LLOHNOUPEUEJDC-GFCCVEGCSA-N 457.000 6.459 50 10 JKGE Cc1cc([C@H](Br)c2cc(C3CC3)c(Br)s2)c(Br)s1 2039500701 MJUPKXXKYQOOHF-NSHDSACASA-N 471.077 7.005 50 10 JKGE Brc1ccc(Br)c(C[C@H]2C[C@@H](Br)CC3(CCC3)C2)c1 2127185124 FJRUKZOKWQHPOL-SMDDNHRTSA-N 451.040 6.488 50 10 JKGE COC[C@@H]1CC[C@@H](Cc2cc(Br)ccc2Br)C[C@@H]1Br 2127214199 QGHKLTNFRKQHBN-PGUXBMHVSA-N 455.028 5.580 50 10 JKGE Cc1cc(Br)c(C)c([C@H](Br)[C@@]2(C)CCCOC2)c1Br 2136379397 KBACCEACYZNKMG-GJZGRUSLSA-N 455.028 6.081 50 10 JKGE CCOc1ccc([C@H](Cl)Cc2ccccc2I)cc1Br 2143869008 VCFNZDYDFQONJY-CQSZACIVSA-N 465.556 5.975 50 10 JKGE Fc1cc2c(cc1Br)nc(CCCl)n2C1(CCOCc2ccccc2)CC1 2146506392 KFTQKMYKNQMDSA-UHFFFAOYSA-N 451.767 5.815 50 10 JKGE CCc1nn(CCCCCCCCCBr)c(CC)c1I 2150311422 MOWZQBLEHUUSPN-UHFFFAOYSA-N 455.222 5.738 50 10 JKGE CC1(C)CCC[C@@]1(CBr)NC(=O)c1cc(Br)ccc1Br 2150547599 YRQWUPYCZDKJJA-HNNXBMFYSA-N 468.027 5.285 50 10 JKGE CCCn1nccc1COc1c(Br)cc(CBr)cc1Br 2150673664 LPSWCIKBRIBRCS-UHFFFAOYSA-N 466.999 5.292 50 10 JKGE FC(F)(F)[C@H]1CN(Cc2cccc(Br)c2Br)C[C@H]1CBr 2163286615 REYOFXJVBZFORL-ZJUUUORDSA-N 479.960 5.217 50 10 JKGE Cn1cnc(Cl)c1CC(CBr)(CBr)c1ccc(Br)cc1 2168231231 IJWHROLFHPJAIT-UHFFFAOYSA-N 485.445 5.106 50 10 JKGE CC[C@@H](Br)[C@@H]1CCCCN1C(=O)c1cccc(Br)c1Br 2170605244 SYQASPCBEYPPTJ-YPMHNXCESA-N 468.027 5.380 50 10 JKGE BrCC(CBr)(C[C@H]1CCCOCC1)c1ccccc1Br 2206825429 ZJIJJWLMJPMGRC-ZDUSSCGKSA-N 469.055 5.684 50 10 JKGE Cc1c(Br)sc([C@H](Br)c2cc(F)ccc2Br)c1C 2218790597 MTFGUUQPAKHXFK-LLVKDONJSA-N 457.000 6.513 50 10 JKGE Cc1cc(Br)c([C@@H](Cl)c2cc(Br)c(C)s2)cc1Br 2218970779 UTMWGDIPMYKNNQ-CYBMUJFWSA-N 473.455 6.981 50 10 JKGE COCC1(C[C@H](Br)c2c(Br)cc(Cl)c(Cl)c2Cl)CC1 2224309790 CUNDZOAFGHWLFX-QMMMGPOBSA-N 451.413 6.662 50 10 JKGE Fc1cc(Br)c(Br)cc1[C@H](Br)C1[C@H]2CCCCC[C@H]12 2225614987 BMHJFDYXWQMBHP-UTEYVOQOSA-N 455.003 6.613 50 10 JKGE CSc1ccc([C@H](Br)c2cc(Br)c(Br)cc2F)cc1 2225616681 IFEZMASCNRBRTJ-AWEZNQCLSA-N 469.011 6.557 50 10 JKGE CCn1cc([C@@H](Cl)c2cc(Br)c(Br)cc2F)nc1Br 2225632232 ASHTWBICOYUNJG-NSHDSACASA-N 475.381 5.658 50 10 JKGE Fc1cc(Br)c(Br)cc1[C@H](Cl)c1cccc(Br)c1Cl 2225635711 WSYVKZXWLQCTNB-GFCCVEGCSA-N 491.807 7.095 50 10 JKGE Cc1cc(Br)c([C@H](Br)C[C@@H]2C[C@H]3C[C@H]3C2)c(C)c1Br 2227350657 XXJBLUYVVACLGI-GFQSEFKGSA-N 451.040 6.701 50 10 JKGE O=C(Nc1ccc(Cl)cc1CBr)c1cc(Br)sc1Br 2231152279 BFEJPNZPBMUJDC-UHFFFAOYSA-N 488.426 6.074 50 10 JKGE Fc1cc(Br)c(Br)cc1[C@@H](Br)c1cc2c(s1)CCOC2 2233976319 OLXBGYFGYLKBRB-CQSZACIVSA-N 485.010 5.969 50 10 JKGE Cc1cc(Br)c([C@@H](Br)[C@H]2CCCCS2(=O)=O)c(C)c1Br 2235604246 NAYCTXMVWCCYOO-RISCZKNCSA-N 489.067 5.232 50 10 JKGE Cc1cc(Br)c([C@@H](Br)C23COC(CF)(C2)C3)c(C)c1Br 2235612830 SDYPEBJEODNMGG-WLYUNCDWSA-N 471.002 5.783 50 10 JKGE Brc1csc([C@H](Br)c2cc3sc(Br)cc3s2)c1 2252874832 ZOSLUFHTHYTDJH-NSHDSACASA-N 473.074 7.034 50 10 JKGE ClCc1ccc(Oc2cc(I)ccc2Cl)c(Br)c1 2259919610 HDGOWZQGBXVFSI-UHFFFAOYSA-N 457.920 6.238 50 10 JKGE COc1cc(F)c([C@@H](Br)c2scc(Br)c2Cl)cc1Br 2264605233 MOSHVFYSGIMSAP-SNVBAGLBSA-N 493.417 6.559 50 10 JKGE Fc1cc(Br)c(F)c(Br)c1[C@H](Br)[C@@]12CCC[C@H]1CC2 2273331885 RDGKJDSXLRGMSS-HNWMMTHTSA-N 458.966 6.506 50 10 JKGE N#Cc1sccc1COc1c(Br)cc(CBr)cc1Br 2277467405 QCFMHVPIAOPPSZ-UHFFFAOYSA-N 465.992 5.619 50 10 JKGE CCCOc1ccc([C@H](Cl)c2scc(Br)c2Cl)cc1Br 2279283354 LVGQQQYEPOZPGQ-LBPRGKRZSA-N 459.030 7.044 50 10 JKGE COc1ccc([C@H](Br)c2cc(F)ccc2Br)c(Br)c1Cl 2283563610 OCSNNJGLDOGJHU-LBPRGKRZSA-N 487.388 6.497 50 10 JKGE O=[N+]([O-])c1ccc(C[C@@H](Br)c2ccc(Cl)c(I)c2)cc1 2283632725 JLAAZHODQZZKFN-GFCCVEGCSA-N 466.500 5.532 50 10 JKGE Cc1cc(Br)cc([C@@H](Cl)c2c(F)cc(Br)c(F)c2Br)c1 2288353497 LAZFAALOMJXYOR-CYBMUJFWSA-N 489.379 6.889 50 10 JKGE CCOC(=O)C(C#N)=Cc1c(C)n(CCOc2ccc(Br)cc2)c2ccccc12 2293285436 ZRXVXUHXHNQXRK-UHFFFAOYSA-N 453.336 5.261 50 10 JKGE Cc1ccc(NC(=O)C(C#N)=Cc2cn(CC(=O)Nc3ccc(Cl)cc3)c3ccccc23)cc1 2294171863 DYWUOEZGPCXGBX-UHFFFAOYSA-N 468.944 5.788 50 10 JKGE COc1cc(Cl)c([C@H](Cl)c2cc(Br)sc2Br)c(OC)c1 2294906747 FJVZCWMTNMUGNL-GFCCVEGCSA-N 461.002 6.272 50 10 JKGE Cc1cccc(C[C@H]2SC(=C(C#N)C(=O)Nc3cccc(C)c3C)N(c3ccccc3)C2=O)c1 2296048022 GVTGAHPAJOWFBX-RUZDIDTESA-N 467.594 5.677 50 10 JKGE N#CC(C(=O)Nc1ccc(F)cc1)=C1S[C@H](Cc2ccccc2Cl)C(=O)N1c1ccc(F)cc1 2296506751 CQAFRFACGSHYDG-JOCHJYFZSA-N 495.938 5.683 50 10 JKGE CCSc1ccc(-c2nn(-c3ccccc3)cc2C=C(C#N)C(=O)NCc2ccco2)cc1 2297464093 VIZWVPFYJXVOFS-UHFFFAOYSA-N 454.555 5.468 50 10 JKGE CC1([C@H](Br)c2ccc(OCc3ccccc3)cc2Br)CCCCC1 2299494528 IEKMJGNEEWXTFJ-HXUWFJFHSA-N 452.230 7.435 50 10 JKGE CC1(C)COC[C@H]1[C@@H](Br)c1ccc(OCc2ccccc2)cc1Br 2299624376 MIYPHOXQSIVKLZ-HKUYNNGSSA-N 454.202 6.137 50 10 JKGE O=C(CSCc1ccccc1Cl)NN=C1C(=O)N(CC=Cc2ccccc2)c2ccccc21 2313646636 OHTSAJDDAKFRPV-UHFFFAOYSA-N 476.001 5.154 50 10 JKGE Brc1ccc(OCc2ccccc2)c([C@@H](Br)C[C@H]2CCC[C@@H]3C[C@H]23)c1 2314441555 ZQTIJQPBGOGIAP-REHHDOPLSA-N 464.241 7.290 50 10 JKGE N#CC(=Cc1ccc(-c2ccc(Br)cc2)o1)c1nc(-c2ccc3ccccc3c2)cs1 2314456914 ILPABOIUSKFROH-UHFFFAOYSA-N 483.390 8.050 50 10 JKGE CCCOc1ccc(-c2nn(-c3ccccc3)cc2C=C2C(=O)N(C(C)C)C(=O)C(C#N)=C2C)cc1 2314610559 JJJFRXAUSPOADZ-UHFFFAOYSA-N 480.568 5.329 50 10 JKGE CCCOc1ccccc1C=C(C#N)C(=O)Nc1cc(OC)c(NC(=O)c2ccccc2)cc1OC 2314774179 WQPVWDCPHLPOGW-UHFFFAOYSA-N 485.540 5.291 50 10 JKGE CCOC(=O)c1c(-c2ccc(C)cc2C)csc1NC(=O)C(C#N)=Cc1ccc(OC)cc1 2314777545 JGZDUWVOGPFPQS-UHFFFAOYSA-N 460.555 5.763 50 10 JKGE CC[C@@]1(C)[C@@H](Br)CCN1C(=O)c1csc(Br)c1Br 2315146150 GYVVTZYJMIFSPC-UFBFGSQYSA-N 460.029 5.051 50 10 JKGE Clc1cc(I)c([C@H](Br)c2ccc3scnc3c2)s1 2316601471 SYTYWCBDMLECJB-LLVKDONJSA-N 470.582 6.100 50 10 JKGE CCc1ccc(OCC(=O)Oc2ccc(C=C(C#N)c3ccc(OC)c(OC)c3)cc2OC)cc1 2320506795 RSPAWJYLRPKDEZ-UHFFFAOYSA-N 473.525 5.323 50 10 JKGE CCOc1cc(C=C(C#N)c2nc3cc(C)ccc3n2C)ccc1OCc1ccc(Cl)cc1Cl 2331019498 YVFCADKRTFQXEE-UHFFFAOYSA-N 492.406 7.230 50 10 JKGE CC(C)(C)c1ccc(OCCCC(O)=C(C#N)c2nc(-c3ccc(Cl)c(Cl)c3)cs2)cc1 2331311653 JPWUOYQCTYPSIY-UHFFFAOYSA-N 487.452 8.066 50 10 JKGE COc1ccc(OC)c(CC(O)=C(C#N)c2nc(-c3cc(C(C)(C)C)ccc3OC)cs2)c1 2331349474 VXYQKEQULXVLAR-UHFFFAOYSA-N 464.587 6.169 50 10 JKGE CCOc1ccc(-c2csc(C(C#N)=C(O)CCN3C(=O)c4ccccc4C3=O)n2)c(OCC)c1 2331386606 RSPJJFYTKYYHSK-UHFFFAOYSA-N 489.553 5.086 50 10 JKGE COc1cc(C=C(C#N)c2nc(-c3ccc(C(C)(C)C)cc3)cs2)ccc1OC(=O)c1ccccc1 2331453674 UURVNYMVHRDHJM-UHFFFAOYSA-N 494.616 7.400 50 10 JKGE CCOc1ccc(-c2csc(C(C#N)=Cc3cc4c(cc3[N+](=O)[O-])OCCO4)n2)c(OCC)c1 2331473800 DFYJSEIFPNYKIW-UHFFFAOYSA-N 479.514 5.351 50 10 JKGE Fc1cc(Cl)c(Br)c(Cl)c1[C@H](Br)c1ccc(Br)cc1 2335369358 PZLRYALLUUVMNM-LLVKDONJSA-N 491.807 7.142 50 10 JKGE Cc1cc(Br)c([C@H](Br)C[C@H]2CCC2(F)F)c(C)c1Br 2335421108 CPWOUXWOFFRNCV-MWLCHTKSSA-N 460.982 6.700 50 10 JKGE FC1(F)CC[C@H]1C[C@H](Br)c1c(Br)cc(Cl)c(Cl)c1Cl 2335422019 NYDBCMZLSVAYMR-WDSKDSINSA-N 457.367 7.281 50 10 JKGE Brc1ccc(OCc2ccccc2)c([C@@H](Br)[C@@H]2CCn3nccc3C2)c1 2336056812 LYTBKZCBCIRHIO-IERDGZPVSA-N 476.212 5.923 50 10 JKGE Cc1cc(Br)c(F)c(Br)c1[C@@H](Cl)c1cc(Br)oc1C 2339655489 ZKBLQEMRFPVWIO-LBPRGKRZSA-N 475.377 6.651 50 10 JKGE COc1cccc(OC)c1[C@H](Br)c1cc(Br)ccc1OCc1ccccc1 2361178296 MZAHEWGCIKNMBG-JOCHJYFZSA-N 492.207 6.530 50 10 JKGE CC[C@H](CC(F)(F)F)[C@H](Br)c1c(C)cc(Br)c(F)c1Br 2365187164 XRUZFIBYNJUTFB-XCBNKYQSSA-N 484.951 7.074 50 10 JKGE COc1c(Br)cc(C)c([C@H](Br)C23CCC(CC2)O3)c1Br 2365219768 RYZOUNFZFHXOAG-WOFGGDGOSA-N 469.011 5.676 50 10 JKGE Cc1cc(Br)c(F)c(Br)c1[C@H](Cl)c1cc(Cl)cc(Cl)c1 2365223613 OZJJKTIDCFIFTD-CYBMUJFWSA-N 461.383 7.294 50 10 JKGE C[C@@](CBr)(OCc1ccc(Cl)cc1I)c1ccccc1 2365652686 GYBOHBQHOVYTCO-INIZCTEOSA-N 465.556 5.772 50 10 JKGE O=C(c1csc(Br)c1Br)N1C[C@@H]2C[C@H](CBr)C[C@@H](C2)C1 2369321220 AMTQDYDHQYVBCP-ILWJIGKKSA-N 486.067 5.156 50 10 JKGE Brc1cc2c(cc1[C@H](Br)c1cccc(OCc3ccccc3)c1)CCCO2 2369616222 PJTWWTZCJOWSFO-HSZRJFAPSA-N 488.219 6.837 50 10 JKGE Cc1cccc(NC(=O)C(C#N)=C(SCc2ccc(F)cc2)SCc2ccc(F)cc2)c1 3059058 VZIXCAVQVAKNDY-UHFFFAOYSA-N 466.578 6.814 50 10 JKGE C=CCOc1ccc(Br)cc1/C=C(/C#N)C(=O)Nc1cc(C(F)(F)F)ccc1Cl 3232171 LNHPATYCLVPCTD-JYRVWZFOSA-N 485.687 6.232 50 10 JKGE Cc1cccc(C)c1NCC(=O)NN=Cc1ccc(OC(=O)c2ccc(C(C)(C)C)cc2)cc1 4077439 YAWXLBPOYSMPAJ-UHFFFAOYSA-N 457.574 5.382 50 10 JKGE C[C@@H]1C/C(=N/NC(=O)c2ccc(NS(=O)(=O)c3ccc(Br)cc3)cc2)CC(C)(C)C1 8686854 BOOYDRRVDPILMU-ZLVLUESYSA-N 492.439 5.182 50 10 JKGE Cc1cc(C)cc(N/C(SCc2ccccc2F)=C(/C#N)S(=O)(=O)c2ccccc2)c1 20325401 JIBFZXIARZBPAN-WCWDXBQESA-N 452.576 5.954 50 10 JKGE N#C/C(=C/c1cc(Br)ccc1OCc1cccc2ccccc12)C(=O)NCc1ccco1 33567587 BTNUUBMFLHWRNL-BKUYFWCQSA-N 487.353 5.998 50 10 JKGE CCOC(=O)c1ccc(-c2ccc(/C=C(\C#N)c3nc(-c4ccc(C)cc4)c(NC(C)=O)s3)o2)cc1 34982922 AQQMPFWNYRUQIR-PXLXIMEGSA-N 497.576 6.578 50 10 JKGE CCCOc1ccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)COc4ccccc4Cl)ccc32)cc1 38650657 SJOKKYJXRGPFMH-AREMUKBSSA-N 490.943 5.331 50 10 JKGE N#CC1=C(N)Oc2cc(OC(=O)Cc3cccc4ccccc34)ccc2[C@H]1c1ccc(Cl)cc1 38651377 DHBSXUMMDHZYPY-HHHXNRCGSA-N 466.924 5.859 50 10 JKGE CCOc1ccccc1C(=O)Oc1ccc2c(c1)OC(N)=C(C#N)[C@H]2c1cccc(OCCC(C)C)c1 38684726 ZDNMBHXFPQRGOM-NDEPHWFRSA-N 498.579 5.948 50 10 JKGE CCCOc1ccccc1C(=O)Oc1ccc2c(c1)OC(N)=C(C#N)[C@H]2c1cccc(OCC)c1 38685000 PDUFGJCGXREORV-SANMLTNESA-N 470.525 5.311 50 10 JKGE CCCCCOc1ccccc1[C@@H]1C(C#N)=C(N)Oc2cc(OC(=O)c3cccc([N+](=O)[O-])c3)ccc21 38686232 POTGQHQXADLDSK-SANMLTNESA-N 499.523 5.601 50 10 JKGE CCCOc1cccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4oc5ccc(C)cc5c4C)ccc32)c1 38701042 VBRMARWIHNWTAI-HHHXNRCGSA-N 494.547 6.276 50 10 JKGE COc1cc(/C=C(\C#N)C(=O)NCc2ccccc2)ccc1OC(=O)COc1ccc(C(C)C)cc1 40870059 VQKHFLVVXAFKKT-BUVRLJJBSA-N 484.552 5.026 50 10 JKGE Cc1cc(OCC(=O)N/N=C/c2ccc(OCc3ccccc3Cl)cc2)ccc1Br 40910640 BFTYSADNKFLQTE-LGJNPRDNSA-N 487.781 5.519 50 10 JKGE Cc1cc(OCC(=O)N/N=C/c2ccccc2OCc2ccccc2)c(C(C)C)cc1Br 40911731 XYDOPSIIXSVAOR-RWPZCVJISA-N 495.417 5.989 50 10 JKGE COc1cccc(OCC(=O)N/N=C/c2ccc(OCc3c(Cl)cccc3Cl)c(OC)c2)c1 40961126 FPUDLVCYVLRABA-UVHMKAGCSA-N 489.355 5.119 50 10 JKGE O=C(CSc1c(Cl)c(Cl)c(Cl)c(Cl)c1Cl)N/N=C/c1cccc(Cl)c1 59148240 CMOCCFSJLLRMLT-RREIPUBJSA-N 477.027 6.849 50 10 JKGE Brc1ccc([C@@H](Br)c2ccccc2I)cc1 71094604 GOWZWDWZHLBXEN-CYBMUJFWSA-N 451.927 5.538 50 10 JKGE C[C@H](Cl)c1nc2cc(I)ccc2n1[C@H](C)c1ccc(Cl)s1 97354354 SBMLFDRXGRAJKW-DTWKUNHWSA-N 451.160 6.265 50 10 JKGE CCN(CC)C(=O)Oc1ccc2c(ccn2Cc2cc(C)cc(C)c2)c1NC(=O)C(Cl)Cl 97941668 BCBJCCAUNYRRMX-UHFFFAOYSA-N 476.404 5.889 50 10 JKGE CCCCCCCc1ccc(C(=O)Oc2ccc(/C=N/NC(=O)c3ccncc3)c(O)c2)cc1 100165766 KAAZESZJBINOII-VUTHCHCSSA-N 459.546 5.283 50 10 JKGE C/C(=N/c1cc2c(cc1[N+](=O)[O-])OCO2)SS/C(C)=N/c1cc2c(cc1[N+](=O)[O-])OCO2 103852174 RKIZAAKZDWSTNG-KFSYKRRRSA-N 478.464 5.142 50 10 JKGE Brc1cc([C@H](Br)c2cc3c(s2)CCCC3)c(Br)s1 104027147 IQOPTNNVTSHNKE-LBPRGKRZSA-N 471.077 6.698 50 10 JKGE COc1ccc([C@@H](Br)c2c(F)cc(Br)cc2F)c(Br)c1 127656134 ZAZSFUVFOVYFHH-CQSZACIVSA-N 470.933 5.983 50 10 JKGE Cc1cc(Br)cc(CBr)c1OCc1ccc(Br)s1 160877256 RDUJRVBDTJRRPB-UHFFFAOYSA-N 455.009 6.055 50 10 JKGE CCCCCOc1ccc(/C=N\NC(=O)c2ccc3nc(SC(C)C)[nH]c3c2)cc1OC 169917845 BUHKEIXGMKTJTH-MYYYXRDXSA-N 454.596 5.405 50 10 JKGE COCCOc1ccc([C@H](Cl)c2ccccc2I)cc1Br 229012113 XOZVGHSGYPSBBQ-INIZCTEOSA-N 481.555 5.407 50 10 JKGE COc1ccc(F)cc1[C@@H](Br)c1cc(Br)sc1Br 234877708 LZVOKWLUIAHQHE-LLVKDONJSA-N 458.972 5.905 50 10 JKGE Cc1cc([C@@H](Br)c2ccc(Cl)cc2Br)sc1Br 235865192 YTTZXTJBCZMNFC-NSHDSACASA-N 459.428 6.719 50 10 JKGE O=C(NN=Cc1ccc(OC(=O)c2cccc3ccccc23)cc1)c1cc2ccccc2cc1O 254304921 FCUQDRBQFFFMME-UHFFFAOYSA-N 460.489 5.682 50 10 JKGE 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@@]12C 254312578 XSXHTVGXMMGURA-WRFJEHAASA-N 483.575 6.813 50 10 JKGE Cc1onc(-c2ccccc2)c1C(=O)NN=Cc1ccc(OC(=O)c2cccc3ccccc23)cc1 254491828 OIROWCGRMIHWBG-UHFFFAOYSA-N 475.504 5.786 50 10 JKGE CC(=NNC(=O)c1ccc(OCc2ccccc2)cc1OCc1ccccc1)c1cccc([N+](=O)[O-])c1 254629492 UHHPHMXEGCGGQB-UHFFFAOYSA-N 495.535 5.907 50 10 JKGE CCCCCOc1ccc(C=NNC(=O)c2[nH]c3c([N+](=O)[O-])cc(C)cc3c2-c2ccccc2)cc1 263630108 HUYQPQCXNJDBME-UHFFFAOYSA-N 484.556 6.384 50 10 JKGE CC(C)(C)C(=O)[C@H](Br)Cc1c(Br)cc(Cl)cc1Br 305900189 ASOWGUPMYDEIMZ-LLVKDONJSA-N 461.419 5.786 50 10 JKGE BrCc1cc(Br)cc(Br)c1O[C@@H]1CCOC2(CCC2)C1 312653542 LFLHMDQFOAJRGS-GFCCVEGCSA-N 469.011 5.587 50 10 JKGE Brc1ccc([C@H]2CN(Cc3ccccc3)C[C@@H]2CI)cc1 382728292 SEGLTKZPKRHKMT-FUHWJXTLSA-N 456.165 5.100 50 10 JKGE Brc1cc([C@@H](Br)c2cc(I)cc3c2OCC3)co1 386068227 LBUZGXWOTRYGFK-GFCCVEGCSA-N 483.925 5.066 50 10 JKGE C[C@H](Cl)c1nc2cc(Br)ccc2n1CCCOCCOCc1ccccc1 390477147 LESNBVKTQRTSSI-INIZCTEOSA-N 451.792 5.722 50 10 JKGE C[C@@H](Cl)c1nc2ccc(Cl)cc2n1CCCN(Cc1ccccc1)Cc1ccccc1 390579067 OZNOABDWRNIRJS-HXUWFJFHSA-N 452.429 7.082 50 10 JKGE Clc1cc(Br)cc([C@H](Br)c2cc(Cl)c(Cl)c(Cl)c2Cl)c1 405097740 SYKZVYSCMZFOBU-JTQLQIEISA-N 498.256 8.200 50 10 JKGE Oc1nc2cc([C@H](Br)c3ccsc3Br)c(Br)cc2[nH]1 698575872 NNWLFRVEQADXHB-SNVBAGLBSA-N 466.980 5.339 50 10 JKGE Fc1c(Br)ccc(COc2c(Br)cccc2CBr)c1F 700990225 RGQNIMWAECDTIM-UHFFFAOYSA-N 470.933 5.964 50 10 JKGE C[C@H](Cl)c1nc2cc(Cl)ccc2n1CC1(N(Cc2ccccc2)Cc2ccccc2)COC1 705782902 KPQRJJOEOIUGPK-FQEVSTJZSA-N 480.439 6.461 50 10 JKGE CC1(C)CN(Cc2ccccc2)C[C@@H]1n1c(CCl)nc2cc(I)ccc21 720825807 ZUBLEMFDSJMNOD-IBGZPJMESA-N 479.793 5.463 50 10 JKGE CCCCCCOc1ccc(N(c2ccc(OCCCCCC)cc2)c2ccc(B(O)O)cc2)cc1 1081242132 USBYPHZVCDIIDL-UHFFFAOYSA-N 489.465 6.754 50 10 JKGE O=C(CSCc1ccccc1Cl)NN=Cc1ccccc1OCc1ccc(C(=O)O)cc1 1083945461 MASKFUZCQHQPFF-UHFFFAOYSA-N 468.962 5.001 50 10 JKGE CC(C)Cc1ccc([C@@H](C)C(=O)NN=C2C(=O)N(Cc3ccccc3F)c3ccccc32)cc1 1084337951 ZFWJPONMGDAXHO-LJQANCHMSA-N 457.549 5.195 50 10 JKGE COc1ccc(Cl)cc1-n1c(C)cc(/C=C(\C#N)C(=O)N2CCN(c3ccccc3)CC2)c1C 1084607512 HPKWFCHYXBRLPW-CJLVFECKSA-N 474.992 5.012 50 10 JKGE O=C(CSCc1ccc(Cl)cc1)NN=C1C(=O)N(Cc2ccccc2Cl)c2ccccc21 1084657430 SDHLBOUGOFFJGB-UHFFFAOYSA-N 484.408 5.294 50 10 JKGE COc1cc(C=NNC(=O)COc2ccccc2C(C)(C)C)ccc1OCc1ccccc1C 1772754598 ZPVQEYLHNAREGO-UHFFFAOYSA-N 460.574 5.409 50 10 JKGE CCOc1cc([C@H]2C(C#N)=C(N)Oc3c2c(C(F)(F)F)nn3CC)ccc1OCc1ccccc1 1865692703 FDFITEDUKGWCPG-FQEVSTJZSA-N 484.478 5.118 50 10 JKGE CCCCCCOc1ccc([C@H]2C(C#N)=C(N)Oc3c2c(C)nn3Cc2ccccc2F)cc1OC 1865696923 UIXLMJBBGFNEKJ-SANMLTNESA-N 490.579 5.565 50 10 JKGE COc1ccc(-c2nn(Cc3ccc(F)cc3)c3c2[C@@H](c2cccs2)C(C#N)=C(N)O3)cc1 1865698587 YAHQWQDLDGYTCF-OAQYLSRUSA-N 458.518 5.026 50 10 JKGE CCN(CC)c1ccc([C@H]2C(C#N)=C(N)Oc3c2c(C(F)(F)F)nn3Cc2ccccc2)cc1 1865701638 AERDANCFUMLJMH-FQEVSTJZSA-N 467.495 5.015 50 10 JKGE CCN(CC)c1ccc([C@@H]2C(C#N)=C(N)Oc3c2c(C)nn3Cc2c(F)cccc2Cl)cc1 1865701974 JOIQFAKORQRUEV-HSZRJFAPSA-N 465.960 5.097 50 10 JKGE COc1ccc(-c2nn(-c3ccccc3Cl)c3c2[C@H](c2ccc(F)cc2)C(C#N)=C(N)O3)cc1 1865708002 LPQOCZCICTWNDS-JOCHJYFZSA-N 472.907 5.559 50 10 JKGE CCc1ccc(/C(C)=C/C(=O)N[C@H](Cc2ccc(F)cc2)C(=O)Nc2ccc(SC#N)cc2)cc1 1866682760 NFKBIEIQEYTFGQ-IWCMWKPHSA-N 487.600 5.731 50 10 JKGE CC[C@@](C)(NC(=O)c1ccc(-c2cc3ccccc3[nH]2)cc1)C(=O)Nc1ccc(SC#N)cc1 1867063874 MNJRRCRWMWZGSN-HHHXNRCGSA-N 468.582 5.945 50 10 JKGE CC(C)c1nc(Nc2ccc(SC#N)cc2)cc(N2CCCc3ccc(N4CCCC4)cc32)n1 1868231250 AQQVZTMOMBSTGW-UHFFFAOYSA-N 470.646 6.601 50 10 JKGE Cc1c(OCc2cccc(CCl)c2)ccc2c(=O)c(Oc3ccccc3)c(C(F)(F)F)oc12 1871437315 RKOUGGTVYTXZMT-UHFFFAOYSA-N 474.862 7.230 50 10 JKGE COc1cc2nc(/C(C#N)=C/c3ccc(OCc4ccc(Cl)cc4)cc3)nc(O)c2cc1OC 1872727470 CSBMJMZWOWNCFP-WOJGMQOQSA-N 473.916 5.649 50 10 JKGE CCOc1cc(/C=C(\C#N)c2ccccc2[N+](=O)[O-])ccc1OCc1ccc(Cl)cc1Cl 1872729643 WRAITEOXZAUPHD-WOJGMQOQSA-N 469.324 6.943 50 10 JKGE Cc1cc(OC/C(O)=C(\C#N)c2nc(-c3cccc(Br)c3)cs2)ccc1Cl 1872746105 RWRHRXVYYUUZPG-MNDPQUGUSA-N 461.768 6.406 50 10 JKGE CCCCc1ccc(N2C[C@H](/C(O)=C(\C#N)c3nc(-c4cccc(Cl)c4)cs3)CC2=O)cc1 1872748200 MVYRLKFBSZVRGG-IPQBESIJSA-N 478.017 6.652 50 10 JKGE N#C/C(=C\c1cc(Br)cc(Br)c1O)c1nc(-c2ccccc2)cs1 1872790046 GVXYGWUTDOILGL-AWNIVKPZSA-N 462.166 6.105 50 10 JKGE CC[C@H](C)[C@H](NC(=O)OC(C)(C)C)C(=O)N/N=C/c1ccccc1OCc1ccc(Cl)cc1 1873794345 FDROPSJYUNOKSX-HUQXMHCUSA-N 474.001 5.309 50 10 JKGE FC1(F)CC[C@H](Br)[C@@H](Cc2cc(Cl)ccc2I)CC1 1881844575 NSOSLSCQXFVBGD-SKDRFNHKSA-N 463.531 6.076 50 10 JKGE Cc1cccc(C(=O)N(Cc2ccccc2)[C@H](CCl)C2CC2)c1I 1915159318 MZTFGXKWGICVSO-GOSISDBHSA-N 453.751 5.259 50 10 JKGE CC(C)[C@H](CBr)N(Cc1ccccc1)c1ncc(Br)c2ccsc12 1915308119 CNADQYGJBDMEEG-KRWDZBQOSA-N 468.258 6.485 50 10 JKGE Cn1nc([C@H](Br)c2sc(Br)cc2Br)c(Cl)c1Cl 1922892888 COFBVLACBMOFQY-YFKPBYRVSA-N 483.838 5.798 50 10 JKGE CC(C)(C)c1ccc([C@@H](Cl)c2c(Br)sc(Br)c2Cl)cc1 1923066443 PNILAOMOQUXCBJ-LLVKDONJSA-N 457.058 7.552 50 10 JKGE FC1(F)CCC[C@H]1[C@@H](Cl)c1c(Br)sc(Br)c1Br 1924583102 FXBZTDNASPJVIK-MHTLYPKNSA-N 473.402 6.751 50 10 JKGE Clc1c(Br)ccc(CBr)c1N(Cc1ccccc1)[C@@H]1CCOC1 1939327796 BNAHTDNNYBKREU-OAHLLOKOSA-N 459.609 5.793 50 10 JKGE Brc1cc(Br)c(NCC2CC(Br)C2)c(Br)c1 1991467195 GDSQSNVUJAXNGZ-UHFFFAOYSA-N 476.832 5.560 50 10 JKGE Cc1cc([C@H](Br)c2cc(C)c(Br)s2)ccc1I 2026134306 ZNWBBDRTPPPLQJ-LBPRGKRZSA-N 486.010 6.216 50 10 JKGE FC(F)(F)c1ccc([C@@H](Br)c2cc(Br)sc2Br)o1 2030058473 OARLYOCDPRCGPU-QMMMGPOBSA-N 468.914 6.369 50 10 JKGE CC[C@@H]1CN(C(=O)OCc2ccccc2)[C@H](CC)CN1CC1(CBr)CCCC1 2044626091 DAENFSJURMLUIM-NHCUHLMSSA-N 451.449 5.453 50 10 JKGE Cc1ccc(S(=O)(=O)C(C#N)=Cc2cc([N+](=O)[O-])ccc2Sc2ccc(Cl)cc2)cc1 2053539358 ICZFTTBSAMBDJN-UHFFFAOYSA-N 470.959 6.046 50 10 JKGE CCC[C@H]1CC[C@H]([C@H](Br)c2sc(Br)cc2Br)CC1 2072681815 NGJPGXFBUGDNEA-KWBADKCTSA-N 459.085 7.316 50 10 JKGE C[C@H]1CCCN(Cc2cccc(Br)c2Br)[C@H]1CCBr 2092327957 HHQXUAMXMUXBPN-FZMZJTMJSA-N 454.044 5.597 50 10 JKGE CC1(C)C[C@@H](Br)C[C@H](NC(=O)c2csc(Br)c2Br)C1 2093944267 HJSVJDLCTGKWHE-YUMQZZPRSA-N 474.056 5.345 50 10 JKGE C[C@H](CCC(CBr)(CBr)c1ccccc1Br)C(F)F 2101521159 MUAKFIHIGBDTJE-SNVBAGLBSA-N 462.998 6.158 50 10 JKGE C[C@@H](CN(C)Cc1ccccc1)n1c([C@@H](C)Cl)nc2cc(Br)c(Cl)cc21 2103808872 APOCLUZFPNUKMS-UONOGXRCSA-N 455.227 6.445 50 10 JKGE Fc1c(Cl)cccc1C[C@H](Br)c1c(Br)cccc1Br 2113468947 TZKVTPUNUHFDBP-NSHDSACASA-N 471.389 6.683 50 10 JKGE CC1(C)CC[C@H](CBr)N(Cc2cc(Br)ccc2Br)C1 2118520023 PZYKEBMFQYUEJV-CYBMUJFWSA-N 454.044 5.597 50 10 JKGE ClC[C@@H](Cc1cc(Br)ccc1Br)c1ccccc1Br 2118525858 YPXBUXFCNLHPHU-LLVKDONJSA-N 467.426 6.539 50 10 JKGE CC(C)(CBr)[C@H]1CCCN1Cc1cc(Br)ccc1Br 2118526207 CHROIUJNHCWZCG-CQSZACIVSA-N 454.044 5.597 50 10 JKGE CC(C)[C@@H](C)N(Cc1ccccc1)S(=O)(=O)c1cc(CBr)c(Cl)cc1Cl 2123252015 LUSHUWLHRWMGST-CQSZACIVSA-N 479.267 6.124 50 10 JKGE CCCC1CC([C@@H](Br)c2c(C)c(Br)cc(C)c2Br)C1 2136375125 SFBICSQPLAOHBL-ZEPSKSRBSA-N 453.056 7.091 50 10 JKGE Cc1c(Br)ccc([C@@H](Br)CC[C@H]2CCCCO2)c1Br 2138854586 TYXCECJZTGTWNP-RISCZKNCSA-N 455.028 6.305 50 10 JKGE FC(F)c1cccc([C@H](Br)c2ccc(Br)cc2Br)c1 2138874390 VSHUGVPNFYJJEE-ZDUSSCGKSA-N 454.934 6.634 50 10 JKGE Clc1cc(CC2(CBr)CC3(C2)CC32CC2)ccc1I 2142957317 MOGNZSZHDKWYQX-UHFFFAOYSA-N 451.573 5.833 50 10 JKGE Cc1ccc(C[C@@H](CBr)Cc2c(Br)cccc2Br)cc1 2150495021 KNKKALDBKALWFE-CQSZACIVSA-N 461.035 6.316 50 10 JKGE CCOc1ccc([C@H](Br)c2c(Br)cnn2CC)cc1Br 2150667140 FLSKYUYVUMRPQY-ZDUSSCGKSA-N 466.999 5.311 50 10 JKGE CC[C@@](C)(Cn1c(CCl)nc2c(Br)cc(F)cc21)N(C)Cc1ccccc1 2155095507 UEBCMICZTDXMHE-NRFANRHFSA-N 452.799 5.977 50 10 JKGE Cc1cc(Br)c(CBr)c(N(C)[C@H](C)c2cscc2Br)c1 2186582801 XUXAAEKZUYRIHI-SNVBAGLBSA-N 482.079 6.674 50 10 JKGE CCCC(CBr)(CCC)CN=[S@@](C)(=O)C1CC(CNC(=O)OC(C)(C)C)C1 2192626860 RFAUBTDJENDFRI-ZVIMNXSKSA-N 467.514 5.369 50 10 JKGE CCC[C@H]1CC[C@H]([C@@H](Br)c2cc(Br)c(C)cc2Br)CC1 2192845485 KNFWNGPMWSRDOV-PBFPGSCMSA-N 467.083 7.563 50 10 JKGE Cc1sc([C@H](Br)c2sc(Cl)cc2Br)cc1Br 2210613508 BMWDZFWVSIGCLK-VIFPVBQESA-N 465.457 6.781 50 10 JKGE FC1(F)CCC[C@@H](c2sc(Br)c(Br)c2Br)[C@@H]1Cl 2216419397 KJGOYEXGUSTSTA-NVNXEXLPSA-N 473.402 6.546 50 10 JKGE C[C@@H](C[C@@H](Br)c1cc(Br)c(Br)cc1F)C(F)(F)F 2218595701 AJKMRSMJOVCOKY-CAHLUQPWSA-N 456.897 6.375 50 10 JKGE Fc1cc(Br)c(Br)cc1[C@@H](Br)CC1CC(F)(F)C1 2218596504 FTDCAHMLXODRFM-QMMMGPOBSA-N 450.918 6.222 50 10 JKGE CC(C)[C@@H](CBr)N(Cc1ccccc1)S(=O)(=O)c1ccc(F)c(Br)c1 2224020410 VBTGUYXRIDHTCV-GOSISDBHSA-N 493.236 5.199 50 10 JKGE COc1cc(C)ccc1[C@@H](Br)c1c(Br)sc(Br)c1Cl 2225619728 MLDHQAZLORXCPR-SNVBAGLBSA-N 489.454 6.728 50 10 JKGE BrCCC[C@@H]1CCCN(Cc2ccc(Br)cc2Br)C1 2225815164 QSRIYDWXJYCMAU-GFCCVEGCSA-N 454.044 5.599 50 10 JKGE Cl[C@H](c1ccc2c(c1Br)CCO2)c1scc(Br)c1Br 2229740490 ZJCKDMASTXXRRI-GFCCVEGCSA-N 487.438 6.299 50 10 JKGE CSc1ccc([C@@H](Br)c2c(Br)cc(Cl)c(Cl)c2Cl)cc1 2232509681 FBDZXRDBIMINCT-GFCCVEGCSA-N 475.460 7.616 50 10 JKGE Cc1ccc(F)c([C@H](Br)c2cc(Br)c(Br)cc2F)c1F 2233976604 PKVJLPZYSHFYMH-CYBMUJFWSA-N 472.924 6.422 50 10 JKGE COc1cc(Br)c([C@H](Br)c2cccc(Br)c2C)cc1C 2236012781 VCYGCNGFJXHIOR-MRXNPFEDSA-N 463.007 6.321 50 10 JKGE Clc1c(Br)cccc1[C@H](Br)c1ccc2c(c1Br)CCO2 2238083502 YXTDRVULHOXUAD-CQSZACIVSA-N 481.409 6.284 50 10 JKGE FC(F)(F)Oc1cc(Br)cc(C[C@H](Br)COCc2ccccc2)c1 2250872581 LXHVOBBJTQJVTQ-HNNXBMFYSA-N 468.107 5.871 50 10 JKGE Cc1cc(Br)c([C@H](Br)c2sc(C)c(C)c2Br)cc1Cl 2264417926 GCXUMAFDFPYZQU-ZDUSSCGKSA-N 487.482 7.336 50 10 JKGE Fc1cc(Br)c(F)c(Br)c1[C@H](Br)[C@@H]1C[C@@]12CCOC2 2272722344 SBHBJYBEGDPCPJ-BCYKBWKHSA-N 460.938 5.352 50 10 JKGE C[C@@H]1C[C@H]([C@@H](Br)c2c(F)cc(Br)c(F)c2Br)CCO1 2272839161 DRJVUGDWXNRXPS-OPVBNTEQSA-N 462.954 5.741 50 10 JKGE Cc1c(Br)sc([C@@H](Br)c2ccc(C(F)(F)F)s2)c1Br 2277879765 SQEGPINOSDXTIA-QMMMGPOBSA-N 499.009 7.146 50 10 JKGE Cc1nn(C)c(Br)c1[C@@H](Cl)Cc1cc(Br)cc(Br)c1 2277955400 JIZXLDYVILGYEX-NSHDSACASA-N 471.418 5.539 50 10 JKGE CCCC[C@H](C)CC[C@H](Br)Cc1cc(Br)cc(Br)c1 2277956716 QLHZAGXMWYUCRC-JSGCOSHPSA-N 455.072 7.124 50 10 JKGE FC1CC2(C1)CC([C@H](Br)Cc1cc(Br)cc(Br)c1)C2 2277957229 WTYHMRIAEUNMMZ-RDEQHJKVSA-N 455.003 6.046 50 10 JKGE Cc1cc(Br)c([C@@H](Br)Cc2cccc(Br)c2)c(C)c1F 2279145417 XWJKPCZOKJBZJV-AWEZNQCLSA-N 464.998 6.646 50 10 JKGE C=CC[C@@]1(CBr)CCN(C(=O)c2cc(Br)ccc2Br)C1 2287757244 FIHADCHEPGDYQQ-HNNXBMFYSA-N 466.011 5.015 50 10 JKGE Fc1cccc(Br)c1C[C@H](CBr)Cc1ccc(Br)cc1 2289739485 RGTQRYWIBNRWSI-GFCCVEGCSA-N 464.998 6.147 50 10 JKGE COc1cc(C=C(C#N)c2ccc(Cl)cc2)ccc1OC(=O)CCCOc1ccc(C)cc1 2293202100 COFGFMLHCNVYOI-UHFFFAOYSA-N 461.945 6.486 50 10 JKGE COc1cc(C=CC(=O)Cl)cc(Br)c1OCc1ccc(Cl)cc1Cl 2293940835 HZLPJGXQWHXFMS-UHFFFAOYSA-N 450.543 6.122 50 10 JKGE N#CC(=Cc1cn(-c2ccccc2)nc1-c1ccc(Br)cc1)C(=O)NCc1ccccc1 2296700294 VFKCKJIINIMTPV-UHFFFAOYSA-N 483.369 5.525 50 10 JKGE N#CC(C(=O)Nc1ccccc1)=C1S[C@H](Cc2ccccc2)C(=O)N1c1ccc(Cl)cc1 2296834879 ZNOJHIBLRHIVFY-JOCHJYFZSA-N 459.958 5.405 50 10 JKGE CC(C=NNC(=O)COc1c(C(C)C)cc(Br)c(C)c1Br)=Cc1ccco1 2297321106 TVSWZFUCMYTVRT-UHFFFAOYSA-N 498.215 5.821 50 10 JKGE COc1ccc(C=C(NC(=O)c2ccccc2)C(=O)NN=C(C)c2ccc3ccccc3c2)cc1 2297321366 JJYHYBMRMSNTBI-UHFFFAOYSA-N 463.537 5.160 50 10 JKGE CCOC(=O)c1c(NC=C(C#N)c2nc(-c3cc4ccccc4oc3=O)cs2)sc2c1CCC2 2297368719 DQGRPDPYWOGHFU-UHFFFAOYSA-N 489.578 5.620 50 10 JKGE Clc1cc([C@H](Cl)c2ccc(OCc3ccccc3)cc2Br)sc1Cl 2299489474 PTYXDTUHZRVXKX-QGZVFWFLSA-N 462.623 7.725 50 10 JKGE Brc1cc(OCc2ccccc2)ccc1[C@@H](Br)[C@@H]1CCCOCC1 2299535208 MNJHEFXJDQPLPY-UZLBHIALSA-N 454.202 6.281 50 10 JKGE CCN(C[C@@](C)(CI)O[C@H]1C[C@H]2CC[C@H](C2)C1)C(=O)OC(C)(C)C 2299587814 VPRWWDKUKFSISG-YYAJDYIMSA-N 451.389 5.032 50 10 JKGE Cc1ccc(NC(=O)C(C#N)=Cc2cccc(OCc3ccc(Br)cc3)c2)c(C)c1 2313667917 XYPWWFAAZCXFLA-UHFFFAOYSA-N 461.359 6.191 50 10 JKGE N#CC(=Cc1ccc(OC(=O)c2cccc3ccccc23)cc1)C(=O)Nc1cccc([N+](=O)[O-])c1 2313671266 XIDRVPSLSYWKRA-UHFFFAOYSA-N 463.449 5.513 50 10 JKGE C[C@@H]1C[C@@H]2C[C@@H]2C[C@@H]1[C@@H](Br)c1ccc(OCc2ccccc2)cc1Br 2314438872 CIDZIPKUWZRAIR-RIALKMOYSA-N 464.241 7.146 50 10 JKGE COC[C@]1([C@H](Br)c2cc(Br)ccc2OCc2ccccc2)CCCO1 2314451328 DMQKVCPSEHPQNJ-UXHICEINSA-N 470.201 5.660 50 10 JKGE Brc1cc(OCc2ccccc2)ccc1[C@@H](Br)CC[C@H]1CCCCO1 2314499393 CCLLSGNBLYIGQQ-XLIONFOSSA-N 468.229 6.813 50 10 JKGE COc1ccc(N2C(=O)[C@H](Cc3cccc(Cl)c3)SC2=C(C#N)C(=O)Nc2ccccc2)cc1 2314591629 AAYIOCNBUFOYSC-QHCPKHFHSA-N 489.984 5.414 50 10 JKGE CCCOc1ccccc1[C@H]1C(C#N)=C(N)Oc2cc(OC(=O)C=Cc3ccc(C)cc3)ccc21 2314634427 RSKWWLNENVVIFQ-MUUNZHRXSA-N 466.537 5.621 50 10 JKGE CCCCCCOc1ccc(C=C(C#N)C(=O)Nc2nnc(SCCCC)s2)cc1OC 2314793672 XIMPCXBENOGLHD-UHFFFAOYSA-N 474.652 5.944 50 10 JKGE Fc1ccc(C[C@@H](Br)c2sc(Cl)cc2I)c(F)c1 2316598185 AIOZCORAJOOPKC-MRVPVSSYSA-N 463.512 5.963 50 10 JKGE C[C@H](Br)CN(Cc1ccc(I)c(Br)c1)C(C)(C)C 2325215098 VYTWYENMOBKQKL-JTQLQIEISA-N 489.033 5.438 50 10 JKGE N#CC(=CNc1ccc(Br)cn1)C(=O)Nc1ccccc1Sc1ccccc1 2325339661 DEORZWRCIPCSJB-UHFFFAOYSA-N 451.349 5.453 50 10 JKGE CC(C)C[C@H](NC(=O)OC(C)(C)C)C(=O)NN=Cc1cccc(OCc2ccc(Cl)cc2)c1 2328824680 SLGAQRIUPDNWPJ-QFIPXVFZSA-N 474.001 5.309 50 10 JKGE CCCCc1ccc(-c2csc(C(C#N)=C(O)Cc3ccc(OCc4ccccc4)cc3)n2)cc1 2331254510 VVRGVEGVOAVFJA-UHFFFAOYSA-N 480.633 7.767 50 10 JKGE COc1ccc(CC(O)=C(C#N)c2nc(-c3ccc(Br)cc3)cs2)cc1OC 2331260183 NPRPBKUSLIDXLB-UHFFFAOYSA-N 457.349 5.625 50 10 JKGE CCCCOc1ccc(C(O)=C(C#N)c2nc(-c3cccc(Br)c3)cs2)cc1OCC 2331278951 UMHMRCLEOCUIQS-UHFFFAOYSA-N 499.430 7.100 50 10 JKGE N#CC(=C(O)c1c(Cl)ccc(Cl)c1Cl)c1nc(-c2ccc(Cl)c(Cl)c2)cs1 2331311977 QKYAHZPQMXWCSR-UHFFFAOYSA-N 476.599 8.027 50 10 JKGE CC(C)(C)c1ccc(-c2csc(C(C#N)=C(O)c3ccc(N4CCCC4)c([N+](=O)[O-])c3)n2)cc1 2331332720 BNKJKYUGMVNNAK-UHFFFAOYSA-N 474.586 6.566 50 10 JKGE COc1ccc(-c2csc(C(C#N)=C(O)CCc3nc4ccccc4[nH]c3=O)n2)cc1Cl 2331399444 LXYVZFVXFZETIO-UHFFFAOYSA-N 464.934 5.134 50 10 JKGE N#CC(=Cc1ccc(OC(=O)c2ccccc2)cc1)c1nc(-c2cccc(Br)c2)cs1 2331431966 IOFYXGPVWXJIMR-UHFFFAOYSA-N 487.378 6.856 50 10 JKGE FC1(F)CCC[C@@H]2[C@@H]([C@@H](Br)c3ccc(OCc4ccccc4)cc3Br)[C@@H]21 2336040445 FTZQMKBPOQRMSO-AFYVEPGGSA-N 486.194 7.146 50 10 JKGE CC[C@H](c1ccccc1)[C@@H](Br)c1cc(Br)ccc1OCc1ccccc1 2336049118 ZWQHCYMOLLHDBK-NFBKMPQASA-N 474.236 7.658 50 10 JKGE CC(C)(C)C(C)(C)[C@H](Br)c1c(Cl)cc(Br)c(F)c1Br 2337092338 OURUNCAXFZYSQK-GFCCVEGCSA-N 479.453 7.512 50 10 JKGE C[C@@H]1C[C@@H]1[C@@H]1C[C@@H]1[C@H](Br)c1c(Cl)cc(Br)c(F)c1Br 2337104861 RQHOUVSHYTUENT-KOXCZOPKSA-N 475.421 6.732 50 10 JKGE Fc1c(Br)cc(Cl)c([C@H](Br)C(F)(F)C(F)(F)F)c1Br 2337113114 HBDPYXFJJSMGAV-ZETCQYMHSA-N 499.268 6.638 50 10 JKGE CC(C)(C)C1CCC([C@@H](Br)c2sc(Cl)cc2I)CC1 2338557891 CNTSJJWIGQXKJY-SRHKJQAYSA-N 475.661 7.295 50 10 JKGE CCCC[C@@H](C)[C@H](Br)c1c(C)cc(Br)c(OC)c1Br 2339650145 CDBWCHKDSACJGY-RNCFNFMXSA-N 457.044 6.791 50 10 JKGE CC(C)[C@H](Br)C(C)(C)CNC(=O)c1scc(Br)c1Br 2340433146 CEWWMYSFSLLXAH-NSHDSACASA-N 476.072 5.449 50 10 JKGE Brc1ccc([C@@H](Br)c2cc3c(cc2Br)OCCC3)o1 2343580725 OCWFIMXKMSACST-AWEZNQCLSA-N 450.952 5.614 50 10 JKGE Clc1ccc(I)cc1CN1C[C@@H](Br)C2(CCCC2)C1 2352414781 YIZOUZFDTWKRCU-CQSZACIVSA-N 454.577 5.084 50 10 JKGE Fc1cc(Cl)c(Br)c(Cl)c1[C@H](Br)[C@@H]1CC[C@@H]2[C@@H]1C2(F)F 2360419317 YHUYEBGYOMGRDY-YSUNZFGCSA-N 452.923 6.622 50 10 JKGE FCCOc1cccc([C@H](Br)c2cc(Br)ccc2OCc2ccccc2)c1 2361174755 YZFXOKBTLVOUCK-QFIPXVFZSA-N 494.198 6.861 50 10 JKGE COc1cc(Br)c([C@@H](Br)c2c(Br)nc(C)n2C)cc1C 2362444148 JHDOTYUMFHSCEQ-GFCCVEGCSA-N 466.999 5.055 50 10 JKGE C[C@@H]1CCC[C@]12[C@@H](Br)C[C@H]2OCc1ccc(Cl)cc1I 2365647723 MMJUIELRAVRCGT-CXOGBFNASA-N 469.588 5.803 50 10 JKGE CC(C)(C)[C@@H]1CC[C@@H](Br)[C@@H](Cc2cc(I)ccc2Cl)C1 2380522109 KTEJNLAIFRKLSG-NJZAAPMLSA-N 469.632 6.713 50 10 JKGE CC1(C)CC(=NNC(=O)c2ccncc2)c2c(nc(C(F)(F)F)c3[nH]c4ccccc4c23)C1 15686183 YPTDXAVNNFJFJF-UHFFFAOYSA-N 451.452 5.236 50 10 JKGE Cc1cc(C)cc(N/C(SCc2cccc(F)c2)=C(/C#N)S(=O)(=O)c2ccccc2)c1 20325408 RWIGPGGZGJJLIP-WCWDXBQESA-N 452.576 5.954 50 10 JKGE CCSc1sc(CC)cc1[C@H]1C(C#N)=C(N)N(c2cc([N+](=O)[O-])ccc2C)C2=C1C(=O)CCC2 27550587 XXRGEYRWTXFUQM-QFIPXVFZSA-N 494.642 5.944 50 10 JKGE Cc1ccc2nc(Cl)c(/C=C(/C#N)c3nc(-c4ccc(-c5ccccc5)cc4)cs3)cc2c1 33391243 SOZXCUHLOSWLDO-IWIPYMOSSA-N 463.993 8.051 50 10 JKGE COc1ccc(-c2nn(-c3ccccc3)cc2/C=C(/C#N)C(=O)Nc2cccc([N+](=O)[O-])c2)cc1 35516327 VPLBOTVPRMMZAM-RGEXLXHISA-N 465.469 5.002 50 10 JKGE Cc1ccc(OCC(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@H]3c2ccc(C(C)C)cc2)cc1 38649408 XXZALYGZLHEYLS-MHZLTWQESA-N 454.526 5.321 50 10 JKGE CCOc1cccc(C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@@H]3c2c(F)cccc2Cl)c1 38680549 OKHFICALYMPERY-JOCHJYFZSA-N 464.880 5.315 50 10 JKGE CCCCc1ccc(Nc2ncnc(NNC(=O)C(c3ccccc3)c3ccccc3)c2N)cc1 40680200 JXGRIUSNJGOEDL-UHFFFAOYSA-N 466.589 5.420 50 10 JKGE Cc1c(C(=O)Nc2nccs2)oc2c1/C(=N/NC(=O)c1ccc(Cl)cc1Cl)CCC2 40813722 UBPRHBGRWVXXQC-AFUMVMLFSA-N 463.346 5.074 50 10 JKGE Cc1c(C(=O)NNC(=O)c2ccc(Cl)cc2Cl)oc2c1/C(=N/Nc1ccccc1)CCC2 40824237 MSEQQSMIHNHIIT-OVVQPSECSA-N 471.344 5.122 50 10 JKGE CCCOc1ccc(/C=C(\C#N)C(=O)Nc2ccc(-c3nc4ccc(C)cc4s3)cc2)cc1 40868356 GVXGILCNTBEYMU-LTGZKZEYSA-N 453.567 6.606 50 10 JKGE C=CCc1cc(/C=N\NC(=O)CC[C@@H](O)c2ccccc2)cc(OC)c1OCc1ccccc1Cl 58892027 NNBIARLLGKDEPE-TZMKENEKSA-N 493.003 5.620 50 10 JKGE Cc1cc(C)cc(OCC(=O)N/N=C2/C(=O)N(C(c3ccccc3)c3ccccc3)c3ccccc32)c1 59148557 LKGVFQOGEFXWSU-XPXRSFDGSA-N 489.575 5.339 50 10 JKGE COc1cc(/C=N/NC(=O)c2cc3cc(Br)ccc3o2)ccc1OCc1ccccc1 59445133 AZVNAZACJYGTLP-VULFUBBASA-N 479.330 5.547 50 10 JKGE C[C@H](NC(=O)COc1ccc(/C=N/NC(=O)C(c2ccccc2)c2ccccc2)cc1)c1ccccc1 59960588 JIVTZQYSTSJUHB-QQTCJNNMSA-N 491.591 5.225 50 10 JKGE Fc1cc(Br)c(Cl)cc1[C@@H](Br)Cc1cccc(Br)c1 97896119 BIPDCPWKCWZNNF-NSHDSACASA-N 471.389 6.683 50 10 JKGE CCc1ccc(NC(=O)/C(C#N)=C2\S[C@H](Cc3ccccc3)C(=O)N2c2ccccc2)cc1 102462013 WLNUNOWEHUOZKF-NLTRVXJZSA-N 453.567 5.314 50 10 JKGE COc1cc(Br)c([C@H](Br)c2cc(F)ccc2Br)cc1OC 109860167 CHYOEXBPDQZJTG-OAHLLOKOSA-N 482.969 5.852 50 10 JKGE CC(C)CC(CBr)(CBr)CCOc1cccc(Br)c1 118669921 ABJUFEGSTMBEHY-UHFFFAOYSA-N 457.044 6.040 50 10 JKGE BrCC(CBr)(Cc1cscn1)c1ccccc1Br 118671999 RAHWWVNHNOFUCF-UHFFFAOYSA-N 454.025 5.176 50 10 JKGE Fc1ccc(C[C@H](Br)c2cc(Br)ccc2Br)c(F)c1 123124225 STHIVEFKIRAYNW-ZDUSSCGKSA-N 454.934 6.169 50 10 JKGE C[C@H]1CCC[C@](CBr)(NC(=O)c2cc(Br)c(Br)s2)C1 124978811 MXIUVTPMBSPMJH-SDBXPKJASA-N 474.056 5.347 50 10 JKGE Brc1ccccc1[C@H](Br)c1ccc(Br)c2ccccc12 127453581 OCVUNWNMGOQMAM-QGZVFWFLSA-N 454.987 6.849 50 10 JKGE Brc1ccc(Br)c([C@H](Br)c2cc3sccc3s2)c1 156467323 QTVGMDNTBJCVRZ-ZDUSSCGKSA-N 467.045 6.972 50 10 JKGE Fc1cccc(Br)c1[C@@H](Br)c1ccc(Br)c2ccccc12 161217425 JJAYBXHDQISPJQ-KRWDZBQOSA-N 472.977 6.988 50 10 JKGE O=C(Nc1ccc(CCBr)cc1)c1cc(Br)ccc1Br 161218249 UOYQRNPFCRRRIN-UHFFFAOYSA-N 461.979 5.401 50 10 JKGE COc1cc(/C=N/NC(=O)c2ccc3[nH]c(-c4ccccc4Cl)nc3c2)cc(Cl)c1O 169926623 ICJRRHXGQSVWES-OPEKNORGSA-N 455.301 5.015 50 10 JKGE BrCc1ccc(Br)cc1Oc1ccccc1I 218228443 BBTXUHRGYKRWSV-UHFFFAOYSA-N 467.926 5.741 50 10 JKGE Brc1ccc(I)cc1[C@H](Br)c1ccc2c(c1)CCO2 232454214 QFUKCBFUBBCRHB-OAHLLOKOSA-N 493.964 5.473 50 10 JKGE Cc1cccc([C@H](Cl)c2cc(Cl)c(Br)s2)c1I 235904637 OVJQHVHSMQOGDP-JTQLQIEISA-N 461.977 6.405 50 10 JKGE Fc1ccc([C@H](Br)c2cc(Br)ccc2I)c(F)c1 236244550 AQSZYYCZNWCLDM-ZDUSSCGKSA-N 487.907 5.816 50 10 JKGE CCn1c2ccccc2c2cc(C=NNC(=O)c3ccc(OC)c(Br)c3)ccc21 252459976 AQGVQGJSWIECKT-UHFFFAOYSA-N 450.336 5.349 50 10 JKGE COc1cc(/C=N/NC(=O)[C@@H]2[C@@H]3CCCC[C@]32C)ccc1OCc1ccc(Cl)cc1Cl 253563150 FCIIGKDETAEHNI-OBNUQKCHSA-N 461.389 5.857 50 10 JKGE CC(=NNC(=O)c1c(O)ccc2ccccc12)c1cccc(NC(=O)Cc2ccc(Cl)cc2)c1 254291290 FUPGEDDIBHJEQB-UHFFFAOYSA-N 471.944 5.534 50 10 JKGE COc1cc(OC)c(OC)cc1C=NNC(=O)c1ccc(COc2cc(C)ccc2C(C)C)cc1 254566533 JMRSQAJYYJUIRM-UHFFFAOYSA-N 476.573 5.487 50 10 JKGE CC(=NNC(=O)c1ccc(COc2ccc(C(C)(C)C)cc2)cc1)c1ccc2ccccc2c1 254848568 HFKJIPAZUCAWOA-UHFFFAOYSA-N 450.582 6.870 50 10 JKGE CCN(C[C@](C)(CI)O[C@@H]1CC[C@H](C)[C@@H](C)C1)C(=O)OC(C)(C)C 303742169 WXYNQUGHLMGTOU-GGXPGOJBSA-N 453.405 5.278 50 10 JKGE C[C@@H](C(=O)Nc1ccccc1-c1nc(CCl)cs1)N(Cc1ccccc1)Cc1ccccc1 304713979 VIJUVAUZISWXTD-FQEVSTJZSA-N 476.045 6.578 50 10 JKGE Fc1cc(Oc2ccc(CBr)cc2Br)c(Cl)cc1Br 311667356 YSRPHJYKHIWNHI-UHFFFAOYSA-N 473.361 6.691 50 10 JKGE C[C@H](Cl)c1nc2cc(I)c(F)cc2n1[C@H]1CCN(Cc2ccccc2)[C@@H]1C 312566482 YWPMLCTYZPBBMK-KSMMKXTCSA-N 497.783 5.915 50 10 JKGE COc1cc(Br)c([C@H](Cl)c2sccc2I)cc1OC 382256732 BMSYSZNXJNYOCE-LBPRGKRZSA-N 473.557 5.461 50 10 JKGE O=C(OCc1ccccc1)N1C[C@@H](CBr)[C@H](c2ccc(Br)cc2)C1 382732068 UZCLACVGROIGEO-AEFFLSMTSA-N 453.174 5.196 50 10 JKGE CC(C)(C)[Si](C)(C)OCc1ccc([C@H]2c3ccccc3CCN2S(=O)(=O)c2ccccc2)cc1 616679536 CLHCMBZWLDZSAR-MHZLTWQESA-N 493.745 6.545 50 10 JKGE COCc1cc(Br)c([C@@H](Br)c2csc(Br)c2)s1 688080029 TZFJYDJRILHCKD-JTQLQIEISA-N 461.038 5.965 50 10 JKGE COc1ccc([C@H](Cl)c2scc(Br)c2Br)c(Br)c1 705439477 QXEHCEZHTJGVRF-NSHDSACASA-N 475.427 6.372 50 10 JKGE C[C@H](CC(CBr)(CBr)c1ccccc1Br)C(C)(C)C 710820209 LGJDGPDCODCORO-GFCCVEGCSA-N 455.072 6.549 50 10 JKGE FC(F)(F)Sc1c(CBr)cc(I)c2sccc12 725283642 HXBCNJUVJFKPRX-UHFFFAOYSA-N 453.086 6.013 50 10 JKGE C[C@H](Oc1ccc(Cl)cc1Cl)C(=O)NN=Cc1ccccc1OCc1ccc(C(=O)O)cc1 1084001965 JKLJUVJUAJPATN-HNNXBMFYSA-N 487.339 5.188 50 10 JKGE O=C(CC[C@@H](O)c1ccccc1)NN=Cc1cc(Cl)c(OCc2ccc(Cl)cc2)c(Cl)c1 1084094453 CWKBBELVOADPMX-JOCHJYFZSA-N 491.802 6.190 50 10 JKGE CCOc1cc(/C=C(\C#N)c2ccc([N+](=O)[O-])cc2)ccc1OCc1cccc2ccccc12 1084224123 FHSGEVQTZYLHLS-LFVJCYFKSA-N 450.494 6.790 50 10 JKGE O=C(Nc1ccc(S(F)(F)(F)(F)F)cc1)Nc1ccc(S(F)(F)(F)(F)F)cc1 1614266756 LZQFEFRCUVJEGC-UHFFFAOYSA-N 464.350 8.645 50 10 JKGE O=C(CSc1nc(-c2ccccc2)cs1)NN=Cc1ccc(OCc2ccccc2F)cc1 1772755257 XPHPOOAUCNSJLH-UHFFFAOYSA-N 477.586 5.771 50 10 JKGE N#CC1=C(N)Oc2c(c(-c3ccccc3)nn2Cc2ccc(Cl)c(Cl)c2)[C@@H]1c1ccc(O)cc1 1865684600 SWKLDSVWUIUNAX-JOCHJYFZSA-N 489.362 5.829 50 10 JKGE COc1ccc(-n2nc(-c3ccccc3)c3c2OC(N)=C(C#N)[C@@H]3c2c(Cl)cccc2Cl)cc1 1865686184 RQHHSVRADBXUTH-OAQYLSRUSA-N 489.362 6.073 50 10 JKGE COc1ccc([C@@H](NC(=O)/C(C#N)=C/c2cccc(Br)c2)c2nc(C)cs2)cc1 1866130708 HZCATLSCVLWSEH-OTJDAXFFSA-N 468.376 5.035 50 10 JKGE CC(C)[C@@H](C(=O)N[C@@H](Cc1ccc(F)cc1)C(=O)Nc1ccc(SC#N)cc1)c1ccc(F)cc1 1866968265 OKAHAYJCIFCTKT-LOSJGSFVSA-N 493.579 5.644 50 10 JKGE CC(C)c1nc(Nc2ccc(SC#N)cc2)cc(N2CCNC(=O)[C@H]2c2cn(C)c3ccccc23)n1 1868231335 CYTKCAGRKKISTD-RUZDIDTESA-N 497.628 5.086 50 10 JKGE Cc1ccc(OC/C(O)=C(\C#N)c2nc(-c3ccc(Oc4ccccc4)cc3)cs2)c(C(C)(C)C)c1 1872753737 KREDGVTZOSIGPI-PNHLSOANSA-N 496.632 8.080 50 10 JKGE COc1cc(C)c(-c2csc(/C(C#N)=C(\O)CCCOc3ccc(Cl)cc3)n2)cc1C 1872757896 AZFUNUZVNNYQHR-XDOYNYLZSA-N 454.979 6.741 50 10 JKGE COc1ccc(-c2csc(/C(C#N)=C/c3ccc(OCc4ccc(Cl)cc4)cc3)n2)c(OC)c1 1872793624 KJPSKTNWOAJWCC-DEDYPNTBSA-N 488.996 7.124 50 10 JKGE CCc1cccc(C)c1N1C[C@@H](/C(O)=C(\C#N)c2nc(-c3ccc(F)cc3F)cs2)CC1=O 1872817876 BCAZIXMWOIREMY-WGCOJADFSA-N 465.525 5.805 50 10 JKGE N#C/C(=C(/O)Cc1ccc(OCc2ccccc2)cc1)c1nc(-c2ccc(F)cc2F)cs1 1872818329 XLVPURSUZMZYBR-LVWGJNHUSA-N 460.505 6.703 50 10 JKGE C[C@](F)(CO[C@@H](CI)c1cccc(Br)c1)C(F)(F)F 1876650250 CRZNLWYUKNUFQM-QWRGUYRKSA-N 455.027 5.232 50 10 JKGE F[C@@H]1C[C@H]1[C@@H](Br)c1c(Br)sc(Br)c1Br 1884671257 RSKWAPDCVJCVKY-PAKKCRSFSA-N 471.809 5.830 50 10 JKGE BrCc1cc(Br)cc(Br)c1OC[C@H]1C[C@@H]2CC[C@@H]2C1 1885975584 XLGMEJMLYOXEGG-RTCCRHLQSA-N 453.012 5.922 50 10 JKGE C[C@H](Br)CN(Cc1ccccc1)c1ncc(C(F)(F)F)cc1I 1914654715 JPLUPLBGJKWPMV-NSHDSACASA-N 499.112 5.495 50 10 JKGE Cc1cccc(Br)c1C(=O)N(Cc1ccccc1)[C@@H](CBr)C1CC1 1915276264 MWPWZCRRTHXWEH-SFHVURJKSA-N 451.202 5.573 50 10 JKGE Clc1ccc(Br)c([C@H](Cl)c2sc(Br)cc2Br)c1 1922941158 NGCPCBYRSWSADW-JTQLQIEISA-N 479.846 7.017 50 10 JKGE C[C@@H](CC(F)(F)F)[C@H](Br)c1c(Br)sc(Br)c1Cl 1923048061 FDIBNBOJQSBKPX-UCORVYFPSA-N 479.381 6.951 50 10 JKGE CC(C)C[C@@H](C(C)C)[C@@H](Br)c1c(Br)sc(Br)c1Cl 1923066153 MHTWXYKIYHDZFU-WCBMZHEXSA-N 481.519 7.681 50 10 JKGE Cc1cccc([C@@H](Br)c2c(Br)sc(Br)c2Cl)c1 1923073090 URMCZVUDZWGHMR-SECBINFHSA-N 459.428 6.719 50 10 JKGE Clc1sc(Br)c(Cl)c1[C@@H](Br)[C@H]1COc2ccccc2O1 1925597403 DPACGFVCBXOEFR-SCZZXKLOSA-N 458.986 6.093 50 10 JKGE O=C(N[C@@H](CBr)CC1CCCC1)c1scc(Br)c1Br 1926754188 IYBKBXQMTLHRHN-SECBINFHSA-N 474.056 5.347 50 10 JKGE CC(CBr)(CBr)Cc1ccc(Br)cc1Br 1929513835 KQMNCSJXEFNNNQ-UHFFFAOYSA-N 463.833 5.550 50 10 JKGE BrCc1ccc(Br)cc1N(Cc1ccccc1)CC1CCOCC1 1946743478 CNSVXOBOHTYBHU-UHFFFAOYSA-N 453.218 5.777 50 10 JKGE Clc1csc([C@@H](Br)c2cc(Br)ccc2Br)c1Cl 1947136466 KCCXHAYLANVHFK-VIFPVBQESA-N 479.846 7.064 50 10 JKGE CC(C)(C)OC(=O)Nc1c(Br)cc(Br)cc1C(C)(C)CBr 1951691143 CIRGOIGKGGEUCO-UHFFFAOYSA-N 486.042 6.231 50 10 JKGE C[C@@H]([C@@H](Cl)c1c(Br)sc(Br)c1Br)C(F)(F)F 1984582800 DNGOHPTVNRRPDI-JLAZNSOCSA-N 465.354 6.514 50 10 JKGE CCc1sc(Br)cc1[C@H](Br)c1cccc(Br)c1C 2030219007 IBDLJRCAMLFKCQ-CQSZACIVSA-N 453.037 6.628 50 10 JKGE Cc1cc(Br)c([C@@H](Br)c2sc(Br)cc2C)cc1Cl 2038505972 KDWDOKNJMMYLDR-GFCCVEGCSA-N 473.455 7.028 50 10 JKGE CN(c1cc(Br)ccc1CBr)[C@@H]1CC(C)(C)[C@@H]1OCc1ccccc1 2038795201 RPLFAISSFLEAHA-WOJBJXKFSA-N 467.245 6.164 50 10 JKGE Cc1c([C@@H](Br)c2c(Cl)sc(Br)c2Cl)nn(C)c1Br 2049255137 FTAHIISZXJOMJE-YFKPBYRVSA-N 497.865 6.106 50 10 JKGE C[C@@H](Br)[C@H](NCc1ccc(Br)cc1Br)C(F)(F)F 2074716253 LFXNJJWTRVWHAS-LDWIPMOCSA-N 453.922 5.016 50 10 JKGE Cc1cc(Br)c([C@H](Br)[C@@H]2C[C@@H]3C[C@H]3C[C@H]2C)cc1Br 2088249198 QRBIYWAOEPNBEH-FFDXVPRCSA-N 451.040 6.638 50 10 JKGE Cc1ccc(CBr)cc1OCc1cc(Cl)ccc1I 2093226849 PDGPYAITWLKCJO-UHFFFAOYSA-N 451.529 5.727 50 10 JKGE C[C@@H](CBr)[C@@H]1CCCCN1Cc1c(Br)cccc1Br 2094088180 IHEICNKQWIRGFZ-NHYWBVRUSA-N 454.044 5.597 50 10 JKGE Fc1cc(Br)ccc1[C@@H](Br)c1cc(Br)c(Cl)cc1F 2097835169 QKMMFWABFFJUSW-CYBMUJFWSA-N 475.352 6.628 50 10 JKGE CN(C(=O)c1cc(Br)sc1Br)C1(CBr)CC(C)(C)C1 2108307709 ALOWHTCNNVTOAR-UHFFFAOYSA-N 474.056 5.299 50 10 JKGE CN(C(=O)c1scc(Br)c1Br)C1(CBr)CCCCC1 2113811743 LEISMMYMVLNPPA-UHFFFAOYSA-N 474.056 5.443 50 10 JKGE Clc1sc(Br)c(Cl)c1[C@@H](Br)c1scc2c1CCCC2 2130575596 FGQIDLBTJNHFRC-SECBINFHSA-N 461.071 7.242 50 10 JKGE COCc1ccc([C@@H](Cl)c2c(Br)sc(Br)c2Br)cc1 2134743560 YCRGMNSVSFHWOU-LLVKDONJSA-N 489.454 6.510 50 10 JKGE Cc1cc(Br)c([C@@H](Br)C23COC(CF)(C2)C3)cc1Br 2137918942 NDCYMAPSDYGKOD-IYXRBSQSSA-N 456.975 5.475 50 10 JKGE Cc1c(Br)ccc([C@H](Br)Cc2cccc(Cl)c2)c1Br 2138852789 OUQOOTPJOWRMKQ-CQSZACIVSA-N 467.426 6.852 50 10 JKGE Cc1c(F)ccc([C@H](Br)c2cc(I)ccc2Br)c1C 2138889495 MVWYAIMZZRDXCX-HNNXBMFYSA-N 497.971 6.294 50 10 JKGE C[C@@H]1C[C@H](n2c(CCCl)nc3cc(Br)c(Cl)cc32)CN1Cc1ccccc1 2159885950 ONNZTLIPSKAUIZ-ZBFHGGJFSA-N 467.238 6.069 50 10 JKGE CC(C)(C)OC(=O)NC[C@@H]1C[C@H](C(F)(F)F)CCN1C[C@H](CBr)C(C)(C)C 2163834316 FRXMSUOIEPVUDC-ILXRZTDVSA-N 459.391 5.211 50 10 JKGE Cc1cc(Br)c([C@H](Br)c2cc(Cl)c(F)cc2F)cc1Br 2179387184 MHXUQGDXYULOPJ-AWEZNQCLSA-N 489.379 6.936 50 10 JKGE COc1cc(Cl)c([C@H](Br)c2cccc(Br)c2C)cc1Br 2202349684 AFPQLLKWXYXMEH-OAHLLOKOSA-N 483.425 6.666 50 10 JKGE COc1ccc([C@H](Br)c2ccc(Br)c(C)c2Br)cc1Cl 2203703152 HTURLJYBTSQTAK-HNNXBMFYSA-N 483.425 6.666 50 10 JKGE COc1c(Br)cc(C)cc1[C@H](Br)c1ccc(F)c(Br)c1 2203829506 KAHFUPWBOJYWMU-CQSZACIVSA-N 466.970 6.152 50 10 JKGE Cc1cc(Br)c([C@H](Br)c2c(Cl)sc(Cl)c2Cl)s1 2215948716 OHCHXKQQUNCNQW-ZCFIWIBFSA-N 455.451 7.325 50 10 JKGE CC(C)N(C)C[C@H](Cl)Cc1sc(Br)c(Br)c1Br 2216417124 DOVKXOJWBGJBLN-SSDOTTSWSA-N 468.480 5.526 50 10 JKGE COCc1cc(Br)c([C@H](Br)c2sc(C)cc2Br)s1 2221843030 GHUJFHKIIBTSLL-SNVBAGLBSA-N 475.065 6.274 50 10 JKGE Cc1nsc(Br)c1[C@H](Cl)c1c(Br)cc(Cl)c(Cl)c1Cl 2224323407 SGSNGQBNKJNZOQ-VIFPVBQESA-N 484.855 7.265 50 10 JKGE Cc1ccc([C@@H](Br)c2cc(Cl)c(F)cc2C)cc1I 2224630053 WEGHGKADRWELSS-OAHLLOKOSA-N 453.520 6.185 50 10 JKGE COC[C@@H]1CC[C@H]([C@@H](Br)c2cc(Br)c(Br)cc2F)C1 2225619466 JKKUIHBNHVKAOM-TVLCNXBWSA-N 458.991 5.849 50 10 JKGE COc1ccc(Br)cc1[C@@H](Br)c1c(C)sc(Br)c1C 2225868538 UMODTHRRNHYCMM-CYBMUJFWSA-N 469.036 6.383 50 10 JKGE COc1cc(Cl)c([C@@H](Br)c2scc(Br)c2C)cc1Br 2226123312 GANOEWWGSKKLNB-GFCCVEGCSA-N 489.454 6.728 50 10 JKGE Fc1cc(Br)cc2c1nc(CCCl)n2C[C@H]1CC1(Br)Br 2233039462 LECZCSCTOBMIQI-SSDOTTSWSA-N 489.408 5.225 50 10 JKGE O=C(c1cccc(Br)c1Br)N1C[C@@H](Br)CC12CCCC2 2241028947 DUNPKRSDABFQTJ-JTQLQIEISA-N 466.011 5.134 50 10 JKGE Brc1cc(Br)cc(C[C@H](Br)C2CC(Br)C2)c1 2246002860 ZAFUNRWRXYPVQF-PVTSGAJSSA-N 475.844 5.691 50 10 JKGE Cc1sc([C@@H](Br)c2cc(Br)c(F)cc2Cl)c(C)c1Br 2270461830 VJUFDJWFDMTNBF-LBPRGKRZSA-N 491.445 7.167 50 10 JKGE Fc1cccc(Br)c1C[C@H](CBr)c1ccccc1Br 2273827385 OSXMGEWRWOHODD-SNVBAGLBSA-N 450.971 6.072 50 10 JKGE CCc1cc(Br)c([C@H](Cl)Cc2cc(Br)cc(Br)c2)s1 2277890321 UGKKXCMVHIMMBV-CYBMUJFWSA-N 487.482 7.121 50 10 JKGE CC1(C)CCO[C@@H](COc2c(Br)cc(Br)cc2CBr)C1 2280343392 LXEWVGAORNMMIA-GFCCVEGCSA-N 471.027 5.691 50 10 JKGE Cc1cccc([C@H](Br)c2c(F)cc(Br)c(F)c2Br)c1C 2288361191 ALNLBZMPLIXQQR-ZDUSSCGKSA-N 468.961 6.591 50 10 JKGE C=CCOc1ccc(C=C(C#N)C(=O)Nc2ncc(Cc3cc(Cl)ccc3Cl)s2)cc1 2293038944 KLLLQHVWHQOZME-UHFFFAOYSA-N 470.381 6.151 50 10 JKGE O=C(CSc1nnc(-c2ccccc2)n1-c1ccccc1)NN=CC(Cl)=Cc1ccccc1 2293452812 OLIRZVIYIFWBKA-UHFFFAOYSA-N 473.989 5.408 50 10 JKGE COc1c(Br)cc(Cl)c(C)c1[C@H](Br)c1cc(Br)oc1C 2295361262 YWUXQDMUVFRSSE-CYBMUJFWSA-N 487.413 6.568 50 10 JKGE COc1ccc(C=C(C#N)C(=O)Nc2ccc(NC(C)=O)cc2)cc1OCc1ccccc1Cl 2295459719 QZDCCQUWRJNOAB-UHFFFAOYSA-N 475.932 5.432 50 10 JKGE N#CC(C(=O)Nc1ccccc1F)=C1S[C@@H](Cc2ccc(Cl)cc2)C(=O)N1c1ccccc1 2296507151 VQJHFDFBOORJGU-QFIPXVFZSA-N 477.948 5.544 50 10 JKGE CCOC(=O)c1c(NC=C(C#N)c2nc(-c3cccs3)cs2)sc2c1CC[C@H](C(C)(C)C)C2 2296790124 PYTWTARSTCUOFC-INIZCTEOSA-N 497.711 7.237 50 10 JKGE Cc1ccc(-c2csc(C(C#N)=CNc3ccc(S(=O)(=O)Nc4cc(C)on4)cc3)n2)cc1 2297482047 ZOQLIHOLBIKRLS-UHFFFAOYSA-N 477.571 5.192 50 10 JKGE CC1(C)CCC[C@@H]1[C@@H](Br)c1ccc(OCc2ccccc2)cc1Br 2299498203 UDSQSTQMADZMPL-QUCCMNQESA-N 452.230 7.290 50 10 JKGE CC(C)(C)C(C)(C)[C@H](Br)c1ccc(OCc2ccccc2)cc1Br 2299530147 JHBDTSQNEPZKIY-LJQANCHMSA-N 454.246 7.536 50 10 JKGE CC(F)(F)C[C@H](Br)c1c(Cl)cc(Br)c(F)c1Br 2300179316 RMCYSCCFCXCSTQ-YFKPBYRVSA-N 459.325 6.485 50 10 JKGE Clc1cc(I)c([C@H](Cl)Cc2ccc(Br)cc2)s1 2301085602 GKKDQPBBLJEBAQ-SECBINFHSA-N 461.977 6.291 50 10 JKGE Clc1ccc([C@H](Br)c2ccc(Br)cc2)c(I)c1 2301799213 TYVPGLCTXIZSPZ-CYBMUJFWSA-N 486.372 6.191 50 10 JKGE COc1c(Br)cc(C=C(C#N)C(=O)Nc2ccc(C)cc2)cc1Br 2313511286 YAXZOBZXYBUAEG-UHFFFAOYSA-N 450.130 5.074 50 10 JKGE COc1cc(C=C(C#N)C(=O)Nc2ccc(C)cc2)cc(Br)c1OCc1cccc(F)c1 2313566997 AKJDMZWIKNQPLN-UHFFFAOYSA-N 495.348 6.030 50 10 JKGE Cc1ccc(NC(=O)CCC(=O)NN=C(C=Cc2ccccc2)C=Cc2ccccc2)c(C)c1 2313585798 BFSYPDBUCUUYSL-UHFFFAOYSA-N 451.570 5.921 50 10 JKGE Fc1cc(Cl)c(Br)c(Cl)c1[C@H](Br)c1ccc(Br)s1 2313742345 FTHKSNZCJRHHAR-SNVBAGLBSA-N 497.836 7.203 50 10 JKGE N#CC(=Cc1cn(-c2ccccc2)nc1-c1ccccc1)c1nc(O)c2cc(Br)ccc2n1 2314488075 IRQRXTFRBMGZFO-UHFFFAOYSA-N 494.352 6.015 50 10 JKGE N#CC(=Cc1ccc(-c2ccccc2[N+](=O)[O-])o1)C(=O)Nc1cc(C(F)(F)F)cc(C(F)(F)F)c1 2314571883 NWLXUFQJDRALSM-UHFFFAOYSA-N 495.335 6.438 50 10 JKGE CCOC(=O)c1ccc(-c2ccc(C=C3C(=O)N(C4CCCCC4)C(=O)C(C#N)=C3C)o2)cc1 2314617255 UUOQDTAHQYPTRK-UHFFFAOYSA-N 458.514 5.048 50 10 JKGE CCCc1ccc([C@@H](Br)c2sc(Cl)cc2I)cc1 2316601310 RASQLNONDWJDPE-CYBMUJFWSA-N 455.586 6.443 50 10 JKGE Clc1ccc(CBr)c(Oc2cc(Br)cc(Br)c2)c1 2316756918 IPRNWYPVRULLQK-UHFFFAOYSA-N 455.371 6.552 50 10 JKGE Brc1cc([C@H](Br)[C@H]2COC3(CCC3)CO2)sc1Br 2316805653 WXMJZLKWASLNOX-PSASIEDQSA-N 461.013 5.047 50 10 JKGE C[C@H](Oc1ccc(Cl)cc1Cl)C(=O)Oc1ccc(C=C(C#N)c2ccc(Cl)cc2)cc1 2320506333 HLGKWZALDZDGAT-HNNXBMFYSA-N 472.755 7.084 50 10 JKGE COc1ccc(C=C2Oc3cc(OCc4ccc(CCl)cc4)cc(C)c3C2=O)c(OC)c1OC 2325339524 STWUDQSUZINOLC-UHFFFAOYSA-N 480.944 5.955 50 10 JKGE Cc1cc(I)ccc1NC(=O)C(C#N)=CN(Cc1ccccc1)c1ccccc1 2325406395 CNLDOAGKYGCPRZ-UHFFFAOYSA-N 493.348 5.652 50 10 JKGE CC(C)(C)c1ccc(C(=O)NCC(O)=C(C#N)c2nc(-c3ccc(Cl)cc3Cl)cs2)cc1 2331250539 AATSZMMVYPKJQC-UHFFFAOYSA-N 486.424 6.637 50 10 JKGE CCCCc1ccc(-c2csc(C(C#N)=C(O)[C@H](C(C)C)N3C(=O)c4ccccc4C3=O)n2)cc1 2331255965 KKIQSFGIQBTVCK-DEOSSOPVSA-N 485.609 6.266 50 10 JKGE N#CC(=C(O)CNC(=O)c1ccc(Cl)cc1)c1nc(-c2ccc(Cl)c(Cl)c2)cs1 2331311438 GTSNEBIVHYGHSN-UHFFFAOYSA-N 464.761 5.993 50 10 JKGE C[C@H](Oc1ccc(Cl)cc1Br)C(O)=C(C#N)c1nc(-c2cccs2)cs1 2331326515 DWCHTZVIGVDYDC-JTQLQIEISA-N 467.797 6.548 50 10 JKGE COc1cc(OC)c(-c2csc(C(C#N)=C(O)c3cccc(OC(C)=O)c3)n2)cc1Cl 2331377593 PWFWSVHDARZHQK-UHFFFAOYSA-N 456.907 5.356 50 10 JKGE COc1cccc(C=C(C#N)c2nc(-c3ccc4c(c3)CCCC4)cs2)c1OCc1cccc(C)c1 2331416633 KRKQNSVISKOHKT-UHFFFAOYSA-N 492.644 7.649 50 10 JKGE CCN(Cc1ccccc1)c1ccc(C=C(C#N)c2nc(-c3ccccc3Cl)cs2)cc1 2331430789 ZFNIHKXYEYYYRY-UHFFFAOYSA-N 456.014 7.554 50 10 JKGE CCOc1cc(C=C(C#N)c2nc(-c3ccc(F)c(F)c3)cs2)ccc1OCC(=O)N(CC)CC 2331463906 BOQBOTCUAUEAOT-UHFFFAOYSA-N 497.567 5.798 50 10 JKGE COc1c(C)cc(Cl)cc1-c1csc(C(C#N)=Cc2ccc(OCc3ccc(C)cc3)cc2)n1 2331474386 CNVRASFBBMFUJO-UHFFFAOYSA-N 487.024 7.732 50 10 JKGE CC[C@@](C)(C(F)F)[C@@H](Br)c1c(Br)cc(Cl)c(Cl)c1Cl 2336598357 ZYKQAWBLJPNDTN-CMPLNLGQSA-N 459.383 7.527 50 10 JKGE CC(C)C[C@@H]1C[C@@H]1[C@@H](Br)c1c(Cl)cc(Br)c(F)c1Br 2337094263 NIJGWRQXZVKFRO-RGNHYFCHSA-N 477.437 7.122 50 10 JKGE Fc1c(Br)cc(Cl)c([C@@H](Br)C2COCCOC2)c1Br 2337094860 TZRFPEZCEMWETJ-JTQLQIEISA-N 481.381 5.103 50 10 JKGE CCCCO[C@@H]1[C@@H](Br)C[C@@H]1Oc1cc(Br)cc(Br)c1 2338761518 YLIGERQIBDOZPD-MELADBBJSA-N 457.000 5.312 50 10 JKGE Cc1cc([C@@H](Br)c2c(Br)c(Br)nn2C)c(F)cc1F 2338862272 WKVLHHGDPYXHFK-SECBINFHSA-N 458.926 5.016 50 10 JKGE COc1c(Br)cc(C)c([C@@H](Br)C2(CCF)CC2)c1Br 2339638596 COMWBASLGRLQHP-CYBMUJFWSA-N 458.991 6.104 50 10 JKGE Cc1cc(Br)c(C(C)C)cc1[C@@H](Br)c1cc(Br)cs1 2352801423 GERDVLYHBKPBKH-OAHLLOKOSA-N 467.064 7.189 50 10 JKGE Fc1cc(Cl)c(Br)c(Cl)c1[C@H](Br)c1cc(Cl)ccc1Cl 2360491993 IZNFMNFNDUHBOI-LLVKDONJSA-N 481.801 7.686 50 10 JKGE Cc1cc(Br)c(F)c(Br)c1[C@H](Br)[C@H]1CCCCS1(=O)=O 2365186283 OQWXXISPJUFOHD-MWLCHTKSSA-N 493.030 5.062 50 10 JKGE COc1c(Br)cc(C)c([C@H](Br)[C@@H]2C[C@@]23CCOC3)c1Br 2365190907 JKOAXJQNBPHJEV-TURKWSHLSA-N 469.011 5.391 50 10 JKGE N#Cc1cc(CCl)ccc1OCc1ccc(I)c(Br)c1 2377617871 ZNMRVTDPQVMXNR-UHFFFAOYSA-N 462.512 5.243 50 10 JKGE O=C(N/N=C/c1cccc(OCc2cccc(Br)c2)c1)c1ccc(Br)cc1 20436890 DPAHLXUEUAMLFA-ZMOGYAJESA-N 488.179 5.555 50 10 JKGE CCCOc1ccc(C(=O)N/N=C/c2cccc(OCc3cccc(Br)c3)c2)cc1 20595473 FUCQHLRTYWKUAF-WGOQTCKBSA-N 467.363 5.581 50 10 JKGE CCOc1ccc(/C=C/C(=O)Oc2ccc(/C=C(/C#N)c3ccc(Cl)cc3)cc2OC)cc1OC 31902184 UBJABEXNVZYVGO-LKEJKRFJSA-N 489.955 6.439 50 10 JKGE CCOc1ccc(NC(=O)/C(C#N)=C\c2cn(-c3ccccc3)nc2-c2ccc(OC)c(C)c2)cc1 33587868 FEWHDJYKCANJFG-XLNRJJMWSA-N 478.552 5.801 50 10 JKGE CCCCCOc1ccccc1[C@H]1C(C#N)=C(N)Oc2cc(OC(=O)COc3ccccc3)ccc21 38686033 LVECSQHFFUMWRJ-MUUNZHRXSA-N 484.552 5.458 50 10 JKGE Cc1cccc(NC(=O)/C(C#N)=C/c2c(Oc3ccc(C)cc3C)nc3c(C)cccn3c2=O)c1 39993144 CRCZLLGZBJLTMR-RCCKNPSSSA-N 464.525 5.266 50 10 JKGE Cc1ccc(NC(=O)/C(C#N)=C/c2c(Oc3ccccc3C)nc3c(C)cccn3c2=O)cc1C 39993175 GFMSQDRJQJBNNN-RCCKNPSSSA-N 464.525 5.266 50 10 JKGE O=C1CCCc2cc([C@H](Br)c3ccccc3I)ccc2N1 40288857 XDNWQKBLFMYURL-KRWDZBQOSA-N 456.121 5.050 50 10 JKGE CCOC(=O)c1c(NC(=O)N/N=C/c2ccc(OCc3ccccc3)c(OC)c2)sc2c1CCC2 40847062 GAQCRKOXLPJAAE-JFLMPSFJSA-N 493.585 5.157 50 10 JKGE CCOc1cc(/C=C(\C#N)C(=O)Nc2cccc(C)c2C)ccc1OCc1ccc(Cl)cc1 59202107 NHLBWWQWZQISKG-HYARGMPZSA-N 460.961 6.480 50 10 JKGE Cc1ccc(NC(=O)/C(C#N)=C\c2ccc(OCc3ccccc3)c(I)c2)cc1 59335292 BDNGEZNUVBUQEM-MOSHPQCFSA-N 494.332 5.724 50 10 JKGE CCOc1cc(/C=C(/C#N)c2nc(-c3ccc(OC)c(OC)c3)cs2)ccc1OC(C)C 97595273 VQYMWIBFESSYPR-ODLFYWEKSA-N 450.560 6.077 50 10 JKGE CS(=O)(=O)c1ccc([C@H](Br)c2cc(Cl)c(Br)cc2F)cc1 97896105 VNHKNXSZORUHBN-AWEZNQCLSA-N 456.558 5.129 50 10 JKGE Clc1ccc(C[C@H](Br)c2cc(Br)sc2Br)cc1 109869735 XGHBVLATUOCEEZ-JTQLQIEISA-N 459.428 6.605 50 10 JKGE Brc1cc([C@@H](Br)[C@H]2COc3ccccc3O2)c(Br)s1 109869869 QMIQFLPQFFNIKN-ZYHUDNBSSA-N 468.992 5.549 50 10 JKGE CC(C)CC1([C@H](Br)c2cc(Br)sc2Br)CCCC1 126350771 BXKUVMVBWIFQHT-GFCCVEGCSA-N 459.085 7.316 50 10 JKGE Cc1ccc([C@@H](Br)c2csc3c(Br)cccc23)c(Br)c1 161448590 NWGIJXUAJXQGLS-OAHLLOKOSA-N 475.043 7.219 50 10 JKGE CCCOc1ccccc1[C@H]1C(C#N)=C(N)Oc2cc(OC(=O)/C=C\c3ccc(C)cc3)ccc21 205654468 RSKWWLNENVVIFQ-UECSFKBFSA-N 466.537 5.621 50 10 JKGE C=CCOc1ccc(-c2nn(-c3ccccc3)cc2/C=C2\C(=O)N(CC=C)C(=O)C(C#N)=C2C)c(C)c1 214352749 MYJFIRPFLXUMHX-ONUIUJJFSA-N 490.563 5.191 50 10 JKGE CCOC(=O)c1ccc(NC(=O)/C(C#N)=C\Nc2ccc(-c3nc4ccc(C)cc4s3)cc2)cc1 217105175 SYKPXWWQMXNFHX-SILNSSARSA-N 482.565 5.907 50 10 JKGE C[C@@H](Br)c1ccccc1NC(=O)c1ccc(I)c(Cl)c1 232349329 WCZYZWMCEQQGBU-SECBINFHSA-N 464.528 5.653 50 10 JKGE CCOc1ccc(Br)cc1[C@@H](Br)c1cc(Cl)ccc1Br 233778799 YPIGKOBQFICQDK-HNNXBMFYSA-N 483.425 6.748 50 10 JKGE COc1c(Br)cc(Cl)cc1[C@@H](Br)c1csc(Br)c1 234829237 SSADJQKJEYZQOH-NSHDSACASA-N 475.427 6.419 50 10 JKGE O=[N+]([O-])c1ccc(C[C@H](Br)c2ccc(F)cc2I)cc1 236164334 BIRWEZNSQUCUKW-ZDUSSCGKSA-N 450.045 5.017 50 10 JKGE CCC(=NNC(=O)c1cc(-c2ccc(C(C)(C)C)cc2)nc2ccccc12)c1ccc(C)s1 252632861 VXQMJRHHMNMJSB-UHFFFAOYSA-N 455.627 7.113 50 10 JKGE Cc1ccc(COc2ccc(C(=O)NN=Cc3ccc(OC(=O)c4cccs4)cc3)cc2)cc1 254354523 VPMBFWLEXWAEBP-UHFFFAOYSA-N 470.550 5.619 50 10 JKGE O=C(Cn1c2ccccc2c(=O)c2ccccc21)NN=Cc1ccc(-c2ccc(Cl)cc2)o1 254384055 REXJFUCUJMDHHC-UHFFFAOYSA-N 455.901 5.218 50 10 JKGE CCCCCCCCCCCCCCCCCC(=O)NN=Cc1cc2ccccc2nc1OC 254558915 QVXJBCSNOUZMNB-UHFFFAOYSA-N 467.698 7.955 50 10 JKGE CCCCc1ccc(OCC(=O)NN=Cc2ccc(OC(=O)/C=C\c3ccccc3)cc2)cc1 254813010 LZKJFYJDIJZJGC-RTZBTTAJSA-N 456.542 5.177 50 10 JKGE O=C1OC(=O)[C@@H]2[C@H]3C[C@@H]([C@@H]4Sc5[nH]c(=S)sc5[C@H](c5cccc(Cl)c5Cl)[C@@H]43)[C@H]12 256026505 ORWDSNAGWAIDQX-KVLXYGQOSA-N 470.424 5.300 50 10 JKGE Cn1ncc([C@H](Cl)c2csc3c(Br)cccc23)c1I 379198954 HAVVZSZDNVCADJ-NSHDSACASA-N 467.557 5.330 50 10 JKGE Fc1cc2nc(CCl)n(C[C@@H]3CCCCN3Cc3ccccc3)c2cc1Br 379605888 JDCZYVXNXWPODA-INIZCTEOSA-N 450.783 5.731 50 10 JKGE CC(C)(C)C[C@@H](CBr)NC(=O)c1ccc(Br)cc1Br 393468851 JMZUHPLIJFFEKA-JTQLQIEISA-N 456.016 5.141 50 10 JKGE FC(F)(F)c1cnc(N[C@@H](CBr)C2CCCC2)c(I)c1 686108211 HGLWICSNYOOMGN-NSHDSACASA-N 463.079 5.071 50 10 JKGE Fc1c(Br)ccc(COc2cccc(CBr)c2Br)c1F 700988999 WGGXNNOIXLDPDN-UHFFFAOYSA-N 470.933 5.964 50 10 JKGE Cc1oc(Br)cc1[C@H](Br)c1cc(Br)cc2c1O[C@H](C)C2 720027202 PGSSSJZSOTXMLV-UOWDBTKRSA-N 464.979 5.921 50 10 JKGE C[C@H]1C[C@@H](COc2c(Br)cc(CBr)cc2Br)C[C@@H](C)O1 724392301 LAPMHAWBCLFINH-IAZYJMLFSA-N 471.027 5.689 50 10 JKGE Cc1c(Br)ccc(-c2ccc(/C=C(/C#N)C(=O)Nc3ccc(Cl)cc3)o2)c1C 1083899296 ZPSJQJNXYXHCMR-PTNGSMBKSA-N 455.739 6.525 50 10 JKGE COc1cc(C=NNC(=O)c2ccc(C(C)(C)C)cc2)ccc1OCc1cccc2ccccc12 1084046313 PHSNHPQYJFTWNS-UHFFFAOYSA-N 466.581 6.489 50 10 JKGE COc1cc(/C=C(/C#N)C(=O)Nc2cccc3ccccc23)ccc1OCc1ccccc1Cl 1084603512 MPWUCASLSOOSKI-JCMHNJIXSA-N 468.940 6.626 50 10 JKGE Cc1ccccc1-n1c(S[C@H](C)C(=O)C(C#N)=C2Nc3ccccc3N2)nc2ccccc2c1=O 1087641286 DRQBNZSPQTYZRE-QGZVFWFLSA-N 479.565 5.017 50 10 JKGE Cc1c(C(=O)Nc2cccc3cccnc23)oc2c1C(=NNC(=O)c1cccc(Cl)c1)CCC2 1772747548 JBDSVWYHBYUJBF-UHFFFAOYSA-N 472.932 5.512 50 10 JKGE COc1ccc2ccccc2c1[C@H]1C(C#N)=C(N)Oc2c1c(C)nn2Cc1c(F)cccc1Cl 1865688284 ONAVNXLZXTUSCC-DEOSSOPVSA-N 474.923 5.412 50 10 JKGE CCCCCOc1ccc([C@@H]2C(C#N)=C(N)Oc3c2c(C)nn3-c2ccc(OC)cc2)cc1OCC 1865691038 HQGQYAPUOVGSFV-AREMUKBSSA-N 488.588 5.375 50 10 JKGE CCCOc1ccc([C@H]2C(C#N)=C(N)Oc3c2c(CCC)nn3-c2ccc(Br)cc2)cc1 1865694723 ZXMRUPBCFWTJEO-QFIPXVFZSA-N 493.405 5.594 50 10 JKGE CCCc1nn(C)c2c1[C@H](c1ccc(OCc3ccc(Cl)cc3Cl)c(OC)c1)C(C#N)=C(N)O2 1865703844 GRTWCXVZRHBBDU-JOCHJYFZSA-N 499.398 5.485 50 10 JKGE N#CC1=C(N)Oc2c(c(-c3ccccc3)nn2Cc2ccccc2)[C@@H]1c1ccc(Br)cc1 1865714282 GBTOJEPFXOAJIT-JOCHJYFZSA-N 483.369 5.579 50 10 JKGE CCCC[C@H](NC(=O)Cc1csc(COc2ccccc2)n1)C(=O)Nc1ccc(SC#N)cc1 1866591022 NSPFQFLNVSHKFK-QFIPXVFZSA-N 494.642 5.151 50 10 JKGE CC[C@@H](NC(=O)c1ccc2oc(-c3ccc(C)cc3)nc2c1)C(=O)Nc1ccc(SC#N)cc1 1866880043 BWDXZENLYHVICP-OAQYLSRUSA-N 470.554 5.524 50 10 JKGE CCc1nc(Nc2ccc(SC#N)cc2)cc(N2CCN([C@@H](C)c3cccs3)CC2)n1 1868278202 VXRJHJKIZSZJQY-KRWDZBQOSA-N 450.637 5.300 50 10 JKGE CC(C)(C)N1C(=O)c2ccc(/C(O)=C(\C#N)c3nc(-c4ccc(F)c(F)c4)cs3)cc2C1=O 1872751343 CMLOFHQJQIFJII-SILNSSARSA-N 465.481 5.433 50 10 JKGE COc1cc(C)c(-c2csc(/C(C#N)=C(O)/C=C/c3ccc(Cl)c(Cl)c3)n2)cc1C(C)C 1872753793 NDHPDOGDZJAQNE-LYFQNGKMSA-N 485.436 8.063 50 10 JKGE COc1cc(Cl)c(C)cc1-c1csc(/C(C#N)=C(\O)c2ccc(OCC(C)C)cc2)n1 1872757180 TZNNIEDEMGYDCT-NMWGTECJSA-N 454.979 6.765 50 10 JKGE COc1cc(/C=C(\C#N)c2nc(-c3ccc([N+](=O)[O-])cc3)cs2)ccc1OCc1ccc(C)cc1 1872784348 LWNPPLVZNLDDKG-LPYMAVHISA-N 483.549 6.679 50 10 JKGE CCCCCCOc1ccc(/C=C(\C#N)c2nc(-c3cccc(Br)c3)cs2)cc1OC 1872784714 XNJTXUAXDYPDMV-DEDYPNTBSA-N 497.458 7.604 50 10 JKGE CCOc1ccc(OCC)c(-c2csc(/C(C#N)=C/c3c(OC)ccc4ccccc34)n2)c1 1872792656 KLMDQAGBEIWJNP-XMHGGMMESA-N 456.567 6.833 50 10 JKGE Cc1ccc(COc2ccc(/C=C(\C#N)c3nc(-c4c(C)cc(C)cc4C)cs3)cc2)cc1 1872794353 WXXLQAIKTXNHRD-MFKUBSTISA-N 450.607 7.687 50 10 JKGE Brc1ccc(OCc2ccccc2)c([C@H](Br)[C@@H]2C[C@H]2Br)c1 1886850155 ZLBQSZDRJJFWEJ-FRFSOERESA-N 475.018 6.248 50 10 JKGE CN(CCN(Cc1ccccc1)c1ccc(CBr)c(C2CC2)c1)Cc1ccccc1 1901160820 UQBLKRXKOYRNAR-UHFFFAOYSA-N 463.463 6.598 50 10 JKGE C[C@H](c1cccs1)N(Cc1ccccc1)c1ccc(Br)cc1CBr 1914894594 JDCDJKDBVUOVMO-OAHLLOKOSA-N 465.254 7.173 50 10 JKGE Cc1sc(Br)cc1C(=O)N(Cc1ccccc1)[C@@H](CBr)C1CC1 1915264946 ULOVGCNNGYVPFA-INIZCTEOSA-N 457.231 5.635 50 10 JKGE O=C(c1ccc(Br)c(C(F)(F)F)c1)N(Cc1ccccc1)C1(CCl)CCC1 1915750869 YKDNCJCEWFWBAS-UHFFFAOYSA-N 460.721 6.272 50 10 JKGE FC1(F)[C@H]([C@@H](Br)c2sc(Br)cc2Br)C12CCC2 1922895451 VNOJSLKNYFDXMQ-IONNQARKSA-N 450.968 6.145 50 10 JKGE Cc1c(Br)sc([C@H](Br)C[C@H]2CC(C)(C)CO2)c1Br 1922920791 KRPYDHBSVSLXAA-DTWKUNHWSA-N 461.057 6.223 50 10 JKGE Clc1ccsc1[C@H](Br)c1sc(Br)cc1Br 1922921256 PAJOHPNYSUPHQM-SSDOTTSWSA-N 451.430 6.472 50 10 JKGE Cc1ccc(C[C@H](Br)c2sc(Br)c(C)c2Br)cc1 1922945272 DVZYHVFFSAEZAP-NSHDSACASA-N 453.037 6.569 50 10 JKGE Cc1c(Br)sc([C@@H](Cl)c2cccc(Br)c2Cl)c1Br 1922945715 JLOJZSOAGMKAQE-JTQLQIEISA-N 493.873 7.326 50 10 JKGE Clc1c(Br)sc(Br)c1[C@H](Br)[C@]12CCC[C@H]1OCC2 1923062648 RPWPGPHVZNYHTF-ZIGWGHGNSA-N 479.459 6.322 50 10 JKGE Cc1cccc([C@H](Br)[C@H](C)c2ccncc2Br)c1I 1924038183 DTMJXKQMDMLOTO-QMTHXVAHSA-N 494.996 5.997 50 10 JKGE C[C@@H](c1ccncc1Br)[C@@H](Cl)c1scc(Br)c1Br 1924057388 VBDAVTAVPUUTGO-UPONEAKYSA-N 474.443 6.514 50 10 JKGE Cc1ccc([C@H](Cl)c2c(Br)sc(Br)c2Br)cc1 1924580660 UFIWWNROIANYQT-JTQLQIEISA-N 459.428 6.672 50 10 JKGE CCCC(CCC)[C@@H](Cl)c1c(Br)sc(Br)c1Br 1924584365 WXBRZKBTQAZHCI-SNVBAGLBSA-N 467.492 7.532 50 10 JKGE Cc1ccc(C[C@@H](Cl)c2c(Br)sc(Br)c2Br)cc1 1924585344 KQYXFTFQOAGIEK-SECBINFHSA-N 473.455 6.867 50 10 JKGE Cc1ccnc(C[C@H](CBr)Cc2cccc(Br)c2)c1Br 1926834527 VRHPBZXJDQLNLY-CYBMUJFWSA-N 462.023 5.711 50 10 JKGE Cc1cc([C@@H](Br)Cc2ccccc2I)sc1Br 1940445130 JBJQSBSRAKHYDT-JTQLQIEISA-N 486.010 6.102 50 10 JKGE CN(Cc1ccc(Cl)c(Br)c1)C[C@H](Br)COCc1ccccc1 1979517919 OZMIUSQQWJFMNT-INIZCTEOSA-N 461.625 5.515 50 10 JKGE BrC[C@H](OCCOCCOCc1ccccc1)c1cccc(Br)c1 2007814308 NLKLZLXJCQAQQI-IBGZPJMESA-N 458.190 5.135 50 10 JKGE FC1(F)CC(C[C@@H](Cl)c2c(Br)sc(Br)c2Br)C1 2014278116 FYSHMJFNHVPTHI-RXMQYKEDSA-N 473.402 6.751 50 10 JKGE Clc1ccc(Cl)c([C@H](Br)c2c(Br)cccc2Br)c1 2033084645 RUSNDUIYQVJTLI-ZDUSSCGKSA-N 473.817 7.003 50 10 JKGE CC12CC([C@H](Br)c3c(Br)sc(Br)c3Cl)(CCO1)C2 2046403133 JIZIJSFALCGZDV-HUUUCTMMSA-N 479.459 6.322 50 10 JKGE Brc1cc(Br)c([C@@H](Br)[C@H]2CC3(CCCC3)CO2)s1 2047512802 CIAPKTKCPGLQND-KOLCDFICSA-N 459.041 6.058 50 10 JKGE Cc1c(Br)sc([C@@H](Br)[C@@H]2CCCCC23CC3)c1Br 2053369688 APHMJSRUEATMAK-ONGXEEELSA-N 457.069 6.988 50 10 JKGE CCOc1ccc(Cn2nc(CBr)c(Br)c2C(F)(F)F)cc1F 2079229204 FVDBPLAQCFJSNX-UHFFFAOYSA-N 460.063 5.145 50 10 JKGE Brc1cc([C@H](Br)[C@@H]2C[C@H]3COC[C@H](C3)C2)sc1Br 2085748242 OPOVSRRZHGFLRW-JDVQERKKSA-N 459.041 5.772 50 10 JKGE CCOc1ccc([C@@H](Br)c2cccc(Br)c2Br)s1 2086386597 NKHSDULLBLFUSG-ZDUSSCGKSA-N 455.009 6.156 50 10 JKGE CC(C)(C)C[C@H](Br)CNC(=O)c1cccc(Br)c1Br 2092341170 YOLFMWZWZWEGTB-VIFPVBQESA-N 456.016 5.141 50 10 JKGE FC1(F)CCN(Cc2cccc(Br)c2Br)CC[C@@H]1Br 2093611596 VFHRRSMVROWTHV-NSHDSACASA-N 461.970 5.206 50 10 JKGE C[C@H](CBr)[C@H]1CCCCN1C(=O)c1csc(Br)c1Br 2093944935 SIJJFBCRRWUNJV-PSASIEDQSA-N 474.056 5.299 50 10 JKGE CCn1ncc(Br)c1[C@@H](Br)c1cc(C2CC2)c(Br)s1 2094671042 JBLDQCXLCHMJNH-NSHDSACASA-N 469.040 5.851 50 10 JKGE Fc1c(Cl)ccc(Br)c1C[C@H](Br)c1ccccc1Br 2113445262 UMENAKRBRQMVKK-LBPRGKRZSA-N 471.389 6.683 50 10 JKGE Brc1ccc(CN2C[C@H](Br)CCC23CCC3)c(Br)c1 2117906228 ZSMWAYCKECFLEF-CYBMUJFWSA-N 452.028 5.494 50 10 JKGE Cc1c(Br)sc([C@H](Br)C(F)(F)C2CCCCC2)c1Br 2128820084 ZKTFTAHWHVFSKM-NSHDSACASA-N 481.038 7.233 50 10 JKGE Cl[C@@H](c1c(Br)sc(Br)c1Br)[C@H]1C[C@@H]1c1ccccc1 2135287532 WIKPETJGOIAHDQ-VDDIYKPWSA-N 485.466 7.119 50 10 JKGE Cc1cc(Cl)c(Br)cc1[C@H](Cl)c1c(Br)cccc1Br 2137640968 TWVAZIWWQNFTTM-AWEZNQCLSA-N 487.844 7.264 50 10 JKGE Cc1c(Br)ccc([C@H](Cl)c2cc(Br)ccc2F)c1Br 2138868120 ZURHFZWUTPLKIV-AWEZNQCLSA-N 471.389 6.750 50 10 JKGE Cc1cccc(CC(CBr)(CBr)C2CCCCC2)c1Br 2144193096 PEEZYXMPFVUEGY-UHFFFAOYSA-N 467.083 6.657 50 10 JKGE CCn1ncc(Br)c1CC(CBr)(CBr)C1CCCCC1 2150682081 DBBXOPTWNSAJKL-UHFFFAOYSA-N 471.075 5.565 50 10 JKGE CCn1ncc(Br)c1COc1c(Br)cc(Cl)cc1CBr 2150695197 MASMWWQZNWSFLP-UHFFFAOYSA-N 487.417 5.555 50 10 JKGE CS(=O)(=O)c1sccc1[C@@H](Br)c1cc(C2CC2)c(Br)s1 2151035278 YWQXNGICRYKNLJ-LLVKDONJSA-N 456.246 5.337 50 10 JKGE Cc1sc(Br)c([C@@H](Br)c2csc3c(Br)cccc23)c1C 2157250967 HWFONSOYPANBHG-ZDUSSCGKSA-N 495.099 7.589 50 10 JKGE CC(C)(C)OC(=O)N1CCC([S@](C)(=O)=NCC2(CBr)CCCCCC2)CC1 2163065064 XFKWANZIHVBRHD-MHZLTWQESA-N 465.498 5.219 50 10 JKGE CC1(C)C[C@H](n2c(CCl)nc3cc(Cl)c(Br)cc32)CN1Cc1ccccc1 2169015098 IDBPWDFYNQPBQP-HNNXBMFYSA-N 467.238 6.417 50 10 JKGE CN(C1CC(OCc2ccccc2)C1)S(=O)(=O)c1ccc(Cl)c(CBr)c1Cl 2179832103 GJISNEMQPQIADS-UHFFFAOYSA-N 493.250 5.257 50 10 JKGE Cc1cc(C)c(S(=O)(=O)N(Cc2ccccc2)C2CCCCC2)cc1CBr 2179858861 UVNLODGORRWCPL-UHFFFAOYSA-N 450.442 5.722 50 10 JKGE Cc1cccc([C@H](CI)OCc2cc(Cl)ccc2Br)c1 2200754124 SWNBBIDVFVFHBE-INIZCTEOSA-N 465.556 6.104 50 10 JKGE COc1c(Cl)cc(Br)cc1[C@@H](Cl)c1ccc(F)cc1I 2203000096 SJVBBMICLCLSFI-ZDUSSCGKSA-N 489.937 6.183 50 10 JKGE COc1ccc(CBr)cc1OCc1ccc(I)c(Cl)c1 2208040061 OYFPDVXBOUCHBQ-UHFFFAOYSA-N 467.528 5.427 50 10 JKGE FC1(F)CC[C@@H](c2sc(Br)c(Br)c2Br)[C@H]1Cl 2212200465 MUOFCFOBMQQUGZ-CLTAVNFZSA-N 459.375 6.156 50 10 JKGE Cc1sc(C(=O)N(Cc2ccccc2)[C@@H](CBr)C(C)C)c(Br)c1C 2215945307 GBHGIYPPSZPLIG-INIZCTEOSA-N 473.274 6.189 50 10 JKGE CCS(=O)(=O)C[C@H](Br)c1c(Br)cc(Cl)c(Cl)c1Cl 2217610063 FKMPGBHXHZPGEZ-LURJTMIESA-N 459.414 5.280 50 10 JKGE Cc1ccc(I)c([C@@H](Br)c2c(Cl)sc(Cl)c2Cl)c1 2224055634 RGUNEKRPPHKAKQ-SECBINFHSA-N 496.422 7.106 50 10 JKGE Clc1cc(Br)c([C@H](Cl)c2ccccc2OCc2ccccc2)c(Cl)c1Cl 2224306487 DDDJNWIOBSYFIQ-GOSISDBHSA-N 491.039 8.317 50 10 JKGE Clc1cc(Br)c([C@H](Br)[C@@H]2CCCOCC2)c(Cl)c1Cl 2224317197 LMELMWPZDBHQTA-RDDDGLTNSA-N 451.413 6.662 50 10 JKGE C[C@]1(C(F)(F)F)C[C@@H]1[C@H](Br)c1cc(Br)c(Br)cc1F 2225619570 KNMVZYNLPAPRGJ-PFZYVWIYSA-N 468.908 6.375 50 10 JKGE CC1(C)CO[C@H](C[C@H](Br)c2cc(Br)c(Br)cc2F)C1 2225633654 KVNIEMVIZFAHGI-SCZZXKLOSA-N 458.991 5.992 50 10 JKGE Cc1cc(Br)c([C@@H](Br)c2cc(Br)c(C)s2)c(C)c1Cl 2226089847 SVUXROOVKNOOIZ-ZDUSSCGKSA-N 487.482 7.336 50 10 JKGE C[C@H]1CCC[C@H](COc2c(Br)cc(Br)cc2CBr)O1 2226841257 TZGDXFJGUJULOM-JOYOIKCWSA-N 457.000 5.443 50 10 JKGE Cc1cc(Br)c([C@@H](Br)C[C@H](C)C(F)(F)F)c(C)c1Br 2227360121 PBBNRKWAIXVYOG-XVKPBYJWSA-N 466.961 6.853 50 10 JKGE CO[C@@H]1C[C@@H]([C@H](Br)c2cc(Br)c(Br)cc2F)C12CCC2 2233975657 LJVZLVVSNSLLSO-CUOATXAZSA-N 471.002 5.992 50 10 JKGE Cc1sc([C@H](Br)c2cc(Br)c3c(c2)C[C@@H](C)O3)cc1Br 2234479289 FLRSNFFJRXRLKV-NXSYQRQQSA-N 481.047 6.389 50 10 JKGE Cc1cc(Br)c([C@H](Br)C(F)(F)C2CCCC2)c(C)c1Br 2235610704 SEKPJQVUVBSATB-AWEZNQCLSA-N 475.009 7.090 50 10 JKGE Cc1sc([C@@H](Br)c2c(Br)cc(Cl)c(Cl)c2Cl)c(C)c1C 2236841044 DPNPCFOYLZGHRV-NSHDSACASA-N 477.476 7.880 50 10 JKGE COc1cc(C)c([C@H](Br)c2sc(C)c(C)c2Br)cc1Br 2237632568 ZKJVSGREJSZQDE-AWEZNQCLSA-N 483.063 6.691 50 10 JKGE Fc1ccc(I)cc1[C@@H](Cl)c1ccc2c(c1Br)CCO2 2238059845 JZLBFPJDQOZFHQ-HNNXBMFYSA-N 467.503 5.456 50 10 JKGE Cc1sc([C@@H](Br)c2csc(I)c2)c(Br)c1C 2242628547 SSXMCAMRUKLVIR-JTQLQIEISA-N 492.039 6.278 50 10 JKGE Clc1cc(Br)c([C@H](Br)c2scc(Br)c2Cl)s1 2242670980 MXCSWOQDRIRUNQ-LURJTMIESA-N 485.875 7.126 50 10 JKGE COc1ccc([C@H](Br)c2scc(Br)c2Cl)c(Br)c1 2253602724 UHDALPNZBUMLPG-JTQLQIEISA-N 475.427 6.419 50 10 JKGE Cc1cc([C@@H](Br)c2c(Br)cc(C)c(F)c2C)c(Br)s1 2264468786 NCKCRINQZAEITL-GFCCVEGCSA-N 471.027 6.822 50 10 JKGE Cc1cc(Br)c([C@H](Br)c2cn(C)nc2Br)c(C)c1F 2264483851 AZDADULSAMZZMM-LLVKDONJSA-N 454.963 5.185 50 10 JKGE Fc1cc(Br)c(F)c(Br)c1[C@@H](Br)C12CCC(CC1)O2 2272748621 XLMWWUCNIJTWHP-SKPUXYCPSA-N 460.938 5.637 50 10 JKGE Fc1cccc(I)c1[C@H](Cl)c1ccc2c(c1Br)CCO2 2282887704 GIZKLTPDKSKQFR-OAHLLOKOSA-N 467.503 5.456 50 10 JKGE O=C(Cl)C=Cc1ccc(OCc2cccc(Br)c2)c(I)c1 2293940929 OCSQAHBSFYBDHV-UHFFFAOYSA-N 477.523 5.411 50 10 JKGE COc1cc(C=C(C#N)C(=O)Nc2ccc(C)c(C)c2)ccc1OCC(=O)Nc1ccccc1C 2294034197 MCVOUMTZNIOQFA-UHFFFAOYSA-N 469.541 5.184 50 10 JKGE N#CC(=Cc1ccc(OCc2ccc(F)cc2)c(Br)c1)C(=O)Nc1ccc(F)cc1 2294168367 HJJIAFNLTFEQNB-UHFFFAOYSA-N 469.285 5.852 50 10 JKGE COc1ccc(C=C(C#N)C(=O)Nc2ccc(C(C)C)cc2)cc1COc1cccc2cccnc12 2295672249 GKZMMBFZHBGQDH-UHFFFAOYSA-N 477.564 6.491 50 10 JKGE N#CC(=CNc1cccc(Br)c1)c1nc(-c2cc3ccccc3oc2=O)cs1 2295902652 FYGKFGYSCJOTQO-UHFFFAOYSA-N 450.317 5.656 50 10 JKGE CN(C(=O)c1scc(Br)c1Br)[C@@H](CBr)c1ccccc1 2296504333 TUWIZJGUFKILDV-NSHDSACASA-N 482.035 5.481 50 10 JKGE N#CC(=Cc1ccc(OCCOc2ccccc2Cl)cc1)C(=O)Nc1nc2ccccc2s1 2297500177 PNWSEIVXRAJZOE-UHFFFAOYSA-N 475.957 5.953 50 10 JKGE N#CC(C#N)=C(Nc1ccccc1)S[C@@H]1CC(=O)N(c2ccc(C=Cc3ccccc3)cc2)C1=O 2297556937 XIMUUFFTNKIFJJ-RUZDIDTESA-N 476.561 5.593 50 10 JKGE Cl[C@H](c1c(Br)sc(Br)c1Br)[C@H]1C[C@@H]2CC[C@H]1C2 2298417165 JMQHOTGRXQDVRH-NUMRIWBASA-N 463.460 6.752 50 10 JKGE Cn1cnc(Br)c1[C@@H](Cl)c1cc(Br)ccc1OCc1ccccc1 2300267489 KUMVPMFNLRCJHZ-INIZCTEOSA-N 470.592 5.852 50 10 JKGE COc1cc(C=C(C#N)C(=O)Nc2cccc(Cl)c2Cl)cc(Br)c1OCC#N 2313571495 XQPYKMMGTXKUOQ-UHFFFAOYSA-N 481.133 5.213 50 10 JKGE Cc1ccc(-c2csc(C(C#N)=C(O)c3ccc(-c4cc(Cl)ccc4Cl)o3)n2)cc1 2314457652 TXYOAMYLNCJYQD-UHFFFAOYSA-N 453.350 7.635 50 10 JKGE Cc1ccc(Oc2nc3c(C)cccn3c(=O)c2C=C(C#N)C(=O)Nc2cc(C)ccc2C)c(C)c1 2314532282 ISDMEDPGYZXZNP-UHFFFAOYSA-N 478.552 5.575 50 10 JKGE CCCCCN1C(=O)C(=Cc2ccc(OCc3ccc(F)cc3)c(OC)c2)C(C)=C(C#N)C1=O 2314611735 ZLWZWLRJIDXFEZ-UHFFFAOYSA-N 462.521 5.196 50 10 JKGE CC(=O)c1ccc(-c2ccc(C=C3C(=O)N([C@H](C)c4ccccc4)C(=O)C(C#N)=C3C)o2)cc1 2314618490 OLVPJWMTCPFTSC-GOSISDBHSA-N 450.494 5.503 50 10 JKGE CC(C)(C)c1ccc(C=CC(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@H]3c2cccc(F)c2)cc1 2314634398 MPNKHTBDYCUUQP-MHZLTWQESA-N 468.528 5.960 50 10 JKGE CCc1ccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)C=Cc4ccc(Cl)cc4Cl)ccc32)cc1 2314634416 PQDADKBTMQIPRP-SANMLTNESA-N 491.374 6.393 50 10 JKGE Cc1nc(-c2ccc(Cl)c(Cl)c2)ccc1C(=O)NN=Cc1ccc(Cl)c(Cl)c1 2321248634 AMFWYBIZSNMFAC-UHFFFAOYSA-N 453.156 6.435 50 10 JKGE CCCCOc1cccc(C=NNC(=O)c2ccc(Nc3nc(O)c4ccccc4n3)cc2)c1 2323766021 BJFFNIISIKWMSW-UHFFFAOYSA-N 455.518 5.022 50 10 JKGE N#CC(=Cc1ccccc1OCc1ccc(Cl)cc1Cl)c1cc2c(cc1[N+](=O)[O-])OCCO2 2331051476 YTQXROXJBUPNGH-UHFFFAOYSA-N 483.307 6.316 50 10 JKGE N#CC(=C(O)c1cc([N+](=O)[O-])ccc1Cl)c1nc(-c2ccc(-c3ccccc3)cc2)cs1 2331232648 QXTXFRMFFBGTEA-UHFFFAOYSA-N 459.914 6.989 50 10 JKGE C[C@@H](Oc1ccc(Cl)cc1Br)C(O)=C(C#N)c1nc(-c2ccccc2)cs1 2331304019 HKBICPCWPIMEKV-GFCCVEGCSA-N 461.768 6.486 50 10 JKGE COc1ccc(OC)c(-c2csc(C(C#N)=C(O)c3ccccc3I)n2)c1 2331325307 IVJNONQQECEVHH-UHFFFAOYSA-N 490.322 5.382 50 10 JKGE N#CC(=C(O)c1ccc2c(c1)C(=O)N(Cc1ccco1)C2=O)c1nc(-c2ccc(F)cc2)cs1 2331344579 XQNAMMUODQSRMD-UHFFFAOYSA-N 471.469 5.288 50 10 JKGE Cc1ccc(-c2csc(C(C#N)=C(O)CN3C(=O)c4ccc(Br)cc4C3=O)n2)cc1C 2331385325 UHPHHTZZFOMWHO-UHFFFAOYSA-N 494.370 5.278 50 10 JKGE CCOc1cc(C=C(C#N)c2nc(-c3ccc([N+](=O)[O-])cc3)cs2)cc(Br)c1O 2331432692 RPHMXIGNASQSTP-UHFFFAOYSA-N 472.320 5.649 50 10 JKGE C[C@@H](Cl)c1nc2cc(I)ccc2n1[C@@H]1CN(Cc2ccccc2)C[C@H]1C 2332193841 JRCLMNMSHLPGRZ-STXHMFSFSA-N 479.793 5.634 50 10 JKGE Brc1cc(OCc2ccccc2)ccc1[C@@H](Br)[C@H]1CCCCC12CCC2 2336040360 FCFWXWSALKEYKW-IFMALSPDSA-N 478.268 7.825 50 10 JKGE Cc1cc(F)c([C@@H](Br)c2ccc(Cl)cc2I)cc1F 2340069329 XSHXRRUQMNXYOD-AWEZNQCLSA-N 457.483 6.016 50 10 JKGE C[C@@H](Cl)c1nc2cc(Br)c(Cl)cc2n1[C@]12C[C@H]1CN(Cc1ccccc1)C2 2354451085 HMMALLOMNSOLON-CGSMKXTHSA-N 465.222 5.983 50 10 JKGE COc1cc(C[C@H](CBr)c2cccc(Br)c2)c(Br)cn1 2362180779 WGMKAPUHXRFLOS-GFCCVEGCSA-N 463.995 5.336 50 10 JKGE C[C@@H]1OC2(C)CC1([C@@H](Br)c1c(Cl)cc(Br)c(F)c1Br)C2 2362229942 WKYOVOAIYRESJE-UHXQQICNSA-N 491.420 6.398 50 10 JKGE COc1c(Br)cc(C)c([C@@H](Br)[C@H]2C[C@@H]3CC[C@H]2O3)c1Br 2365190968 KAFFEEHEYFWBFK-LKVCOOQKSA-N 469.011 5.532 50 10 JKGE COc1c(Br)cc(C)c([C@@H](Br)C2CC(C(C)C)C2)c1Br 2365193166 ZEAIWJCMCUVJRK-MGULZYLOSA-N 469.055 6.647 50 10 JKGE CC1(C)CC(CBr)(CN2CCC[C@@]2(CNC(=O)OC(C)(C)C)C(F)(F)F)C1 2371149408 UNVGUDVZYLIQOW-GOSISDBHSA-N 457.375 5.109 50 10 JKGE Cc1cc(Br)c([C@H](Br)c2cc(C(C)C)c(Br)cc2C)s1 2380928323 YFWTXVWXGPSQQB-OAHLLOKOSA-N 481.091 7.498 50 10 JKGE COc1cccc(/C=C(\C#N)C(=O)Nc2ccc(C)c(C)c2)c1OCc1ccc(Cl)cc1Cl 3255486 HABRHNYNMSHCRI-UDWIEESQSA-N 481.379 6.744 50 10 JKGE CC[C@H](Oc1ccccc1[C@@H](C)CC)C(=O)NNC(=O)[C@@H](C)Oc1ccc(Cl)cc1Cl 10683321 DTQUOEGBYQJTRF-KHYOSLBOSA-N 467.393 5.279 50 10 JKGE CC(C)(C)c1ccc(OCC(=O)N/N=C/c2ccc(OCc3ccccc3)cc2)c(Br)c1 12403427 JITKULQMQGXZAY-LQKURTRISA-N 495.417 5.855 50 10 JKGE CCCCCCOc1ccc(/C=C(\C#N)C(=O)Nc2sc3c(c2C#N)CCCC3)cc1OC 33346500 QWSNVZWWJJIUMF-XMHGGMMESA-N 463.603 6.012 50 10 JKGE O=C(COc1ccc(Br)cc1Cl)N/N=C(\C=C\c1ccccc1)c1ccccc1 33959854 PNSICTSCMDBRMT-XZUMUZLRSA-N 469.766 5.715 50 10 JKGE CCCCOc1ccccc1/C=C(/C#N)C(=O)Nc1ncc(Cc2cc(Cl)ccc2Cl)s1 34258925 CWNJWAUREBWJIL-WQRHYEAKSA-N 486.424 6.765 50 10 JKGE CC(C)(C)c1cc(SSc2cc(C(C)(C)C)cc(C(C)(C)C)c2O)c(O)c(C(C)(C)C)c1 34265162 OQNMSUCZVWYXHJ-UHFFFAOYSA-N 474.776 9.087 50 10 JKGE N#CC1=C(N)Oc2cc(OC(=O)Cc3ccc(Cl)cc3)ccc2[C@H]1c1cccc(Cl)c1 38651261 AIAIPSKEEQUVIG-HSZRJFAPSA-N 451.309 5.360 50 10 JKGE Cc1cccc(OCC(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@@H]3c2cccc3ccccc23)c1C 38657877 LNRZWTZXVNCMEM-GDLZYMKVSA-N 476.532 5.659 50 10 JKGE C=CCOc1cccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4ccccc4OCCC)ccc32)c1 38684611 JLBWEIWWPOCJLI-HHHXNRCGSA-N 482.536 5.478 50 10 JKGE Cc1ccc(COc2ccc([C@H]3C(C#N)=C(N)Oc4cc(OC(=O)c5ccccc5)ccc43)cc2)cc1 38686234 RTYISDAUBXAJBU-GDLZYMKVSA-N 488.543 6.011 50 10 JKGE Cc1cc(C)c2c(CC(=O)N/N=C3\CCCc4oc(C(=O)NNc5ccccc5)c(C)c43)coc2c1 40826943 VNMVDKPTHJZWFQ-MWAVMZGNSA-N 484.556 5.107 50 10 JKGE CC(C)(C)c1ccc(OCCCC(=O)N/N=C/c2c(F)cccc2Cl)c(Br)c1 40951363 BRQQKALDKPFWRZ-DHRITJCHSA-N 469.782 5.848 50 10 JKGE CCOc1cc(/C=C(/C#N)c2nc3ccccc3[nH]2)ccc1OCC(=O)NC12CC3CC(CC(C3)C1)C2 50568418 QVPUWIXWOYBUBM-FMCGGJTJSA-N 496.611 5.490 50 10 JKGE CCOc1ccc(NC(=O)/C(C#N)=C/c2cc(Br)c(OCC)c(OCC)c2)cc1 59297092 WIAVHYSDRWWYHB-LFIBNONCSA-N 459.340 5.191 50 10 JKGE CCCOc1ccc(/C=C/C(=O)Oc2ccc(/C=C(/C#N)C(=O)NCc3ccccc3)cc2OC)cc1 98027925 FBFGPIDXCXPPET-HHNRBCHWSA-N 496.563 5.326 50 10 JKGE COc1ccc(-c2nn(-c3ccccc3)cc2/C=C2/C(=O)N(C3CCCC3)C(=O)C(C#N)=C2C)cc1F 101338557 JWHVLTSNCPJTNZ-OEAKJJBVSA-N 496.542 5.222 50 10 JKGE COc1ccc(Br)cc1[C@H](Cl)c1cc(Br)c(Br)s1 128842235 WRENIDOLZXOMAN-NSHDSACASA-N 475.427 6.372 50 10 JKGE CCOc1ccc(/C=C(/C#N)C(=O)Nc2scc(-c3ccc(CC)cc3)c2C(=O)OC)cc1 206882426 ONZZMCPIRQLLQP-ZHZULCJRSA-N 460.555 5.708 50 10 JKGE COc1ccc([C@@H](C)NC(=O)/C(C#N)=C\Nc2ccccc2Sc2ccccc2)cc1OC 217171969 QXMQPHDUZBAVCK-FBKQIBBUSA-N 459.571 5.552 50 10 JKGE O=C(O)[C@@H]1Nc2ccc3ccccc3c2[C@@H]2[C@H](Cl)[C@@H](Sc3ccccc3[N+](=O)[O-])C[C@H]12 245232252 RWKZLLKUCHKAOS-FLZVSJIDSA-N 454.935 5.499 50 10 JKGE N#C/C(N=Cc1ccc(Cl)cc1)=C(/C#N)NCc1ccccc1Sc1ccc(Cl)cc1 254377617 DLCAZSXVZKPAMG-KRLYRBBYSA-N 463.393 6.612 50 10 JKGE CCCCCCCCCCCCCC(=O)NCC(=O)NN=Cc1ccc(OC(=O)c2ccco2)cc1 254557090 GEVKJEHNGLKAPX-UHFFFAOYSA-N 497.636 5.766 50 10 JKGE Fc1ccc([C@@H](Br)c2sccc2I)cc1Br 309274591 SNYWSYPVJNTYOC-SNVBAGLBSA-N 475.946 5.739 50 10 JKGE Clc1cccc(C[C@H](Br)c2cc(I)cc3c2OCC3)c1 312264916 FITWNPYEYYJQKF-HNNXBMFYSA-N 463.540 5.558 50 10 JKGE ClCCc1nc2cc(I)ccc2n1[C@H]1CCCN(Cc2ccccc2)C1 386988160 DEWBXEIPGIZSKO-SFHVURJKSA-N 479.793 5.259 50 10 JKGE Clc1cc([C@H](Br)Cc2ccccc2Br)c(Cl)c(Cl)c1Cl 692465598 WOIMGDANZMMYFY-SNVBAGLBSA-N 477.838 7.741 50 10 JKGE Fc1ccc(CC(CBr)(CBr)C2CCOCC2)c(Br)c1 696859219 STPSWXHTLXVUJN-UHFFFAOYSA-N 473.018 5.334 50 10 JKGE Fc1cc(Br)cc(CBr)c1OCc1cc(Cl)ccc1Br 715829144 SFMQRBKAIRBVDB-UHFFFAOYSA-N 487.388 6.478 50 10 JKGE Cc1cc(C)c([C@H](Br)c2ccc(I)c(Br)c2)c(C)c1 721604486 PUXDSELLDISWBE-MRXNPFEDSA-N 494.008 6.463 50 10 JKGE Fc1cccc([C@H](Cl)c2scc(C(F)(F)F)c2Br)c1I 721695697 BBVGUOXLFXOCQD-VIFPVBQESA-N 499.492 6.601 50 10 JKGE Cc1cc(Br)c([C@H](Br)[C@@H]2C[C@H](C)O[C@H](C)C2)cc1Br 724413279 DRIZUIKLVSICBB-DZHLUBAWSA-N 455.028 6.160 50 10 JKGE Cc1ccc(Cl)cc1NC(=O)C(=O)NN=Cc1cc(C)n(-c2cc(Cl)ccc2Cl)c1C 725393669 DOOYSUREBFHLHL-UHFFFAOYSA-N 477.779 5.452 50 10 JKGE CO[C@@H](C(=O)NN=Cc1c(Br)c(C)n(-c2c(C)cccc2C)c1C)c1ccccc1 1083940021 GKWFLXKUEMLGET-HSZRJFAPSA-N 468.395 5.311 50 10 JKGE CC(=NNC(=O)c1ccc(N(Cc2ccccc2Cl)S(C)(=O)=O)cc1)c1ccc(Cl)cc1 1083961851 RPGBJYKYKXZLBT-UHFFFAOYSA-N 490.412 5.114 50 10 JKGE CC(C)Cc1ccc([C@H](C)C(=O)NN=Cc2ccccc2OCc2ccc(C(=O)O)cc2)cc1 1084028683 JRORSYXUUQRGDZ-FQEVSTJZSA-N 458.558 5.416 50 10 JKGE O=C(NN=C(CSc1nc2ccccc2s1)c1cccc(Br)c1)c1ccccc1 1084511029 BOLCIWVIYNBXOR-UHFFFAOYSA-N 482.428 5.985 50 10 JKGE Cc1c(C(=O)Nc2cccc(Cl)c2)oc2c1C(=NNC(=O)c1ccc(Cl)cc1)CCC2 1772744391 WRGAJHJQPHCMRS-UHFFFAOYSA-N 456.329 5.618 50 10 JKGE N#CC1=C(N)Oc2c(c(C(F)(F)F)nn2Cc2ccc(Cl)cc2)[C@@H]1c1c(Cl)cccc1Cl 1865685757 MTCHUTAJLHMFQB-HNNXBMFYSA-N 499.707 6.129 50 10 JKGE N#CC1=C(N)Oc2c(c(C(F)(F)F)nn2Cc2ccc(F)cc2)[C@H]1c1c(Cl)cccc1Cl 1865685821 NLLAQQAGGZVBRI-OAHLLOKOSA-N 483.252 5.614 50 10 JKGE N#CC1=C(N)Oc2c(c(-c3ccccc3)nn2Cc2ccccc2)[C@@H]1c1ccc(Cl)cc1Cl 1865686408 VMJDEQSOZXXEAR-JOCHJYFZSA-N 473.363 6.123 50 10 JKGE COc1ccc(-c2nn(-c3ccccn3)c3c2[C@H](c2ccc(Cl)c(Cl)c2)C(C#N)=C(N)O3)cc1 1865686538 WYSUBORCRPKURA-OAQYLSRUSA-N 490.350 5.468 50 10 JKGE CCCc1nn(Cc2cc(C)ccc2C)c2c1[C@H](c1c(OC)ccc3ccccc13)C(C#N)=C(N)O2 1865688061 HUZDEEMUVGPMSV-MHZLTWQESA-N 478.596 5.881 50 10 JKGE COc1ccc2ccccc2c1[C@H]1C(C#N)=C(N)Oc2c1c(-c1ccccc1)nn2Cc1ccc(C)cc1 1865688258 OBFIPNKEKFVJBT-MUUNZHRXSA-N 498.586 6.287 50 10 JKGE CCc1ccc([C@@H]2C(C#N)=C(N)Oc3c2c(-c2ccc(OC)cc2)nn3Cc2ccc(C)cc2)cc1 1865709538 XRUIDUCXWGSDSR-AREMUKBSSA-N 476.580 5.696 50 10 JKGE N#CC1=C(N)Oc2c(c(C(F)(F)F)nn2Cc2ccc(F)cc2)[C@H]1c1ccc(C(F)(F)F)cc1 1865711398 XNOGUVPAHVFWBF-INIZCTEOSA-N 482.359 5.326 50 10 JKGE CCN(c1ccccc1)S(=O)(=O)c1ccccc1NC(=O)/C(C#N)=C/c1ccc(Cl)cc1 1866128437 RUBQIAIPPOZJBY-KNTRCKAVSA-N 465.962 5.101 50 10 JKGE CCCCOc1ccc(/C(O)=C(\C#N)c2nc(-c3ccc(Cl)cc3)cs2)cc1OCC 1872748072 HFWPQBGGCSJKMM-NMWGTECJSA-N 454.979 6.991 50 10 JKGE CCCOc1ccc(-c2csc(/C(C#N)=C(\O)CCc3ccc(OCC)c(OC)c3)n2)cc1 1872749863 KWMPVDMFEWCSBG-LNVKXUELSA-N 464.587 6.432 50 10 JKGE COc1ccc(-c2csc(/C(C#N)=C(\O)[C@H]3CC(=O)N(Cc4ccccc4)C3)n2)cc1Cl 1872757403 DJEJZHBFWVPJRC-XBYUIDQRSA-N 465.962 5.313 50 10 JKGE CCc1cccc(C)c1N1C[C@@H](/C(O)=C(\C#N)c2nc(-c3ccc(Cl)s3)cs2)CC1=O 1872757920 CHSJFXMKGCKFIL-OAZPQLMHSA-N 470.019 6.242 50 10 JKGE COc1ccc(Cl)cc1-c1csc(/C(C#N)=C(\O)CN2C(=O)COc3ccc(Cl)cc32)n1 1872759250 IGUDCQOFMOQQOH-SDXDJHTJSA-N 488.352 5.344 50 10 JKGE CCOc1cc(/C=C(\C#N)c2nc(-c3cccc([N+](=O)[O-])c3)cs2)ccc1OCc1ccc(C)cc1 1872782346 GALYBAPLCPFVAB-YDZHTSKRSA-N 497.576 7.069 50 10 JKGE CCCCCOc1ccc(/C=C(\C#N)c2nc(-c3ccc(OC)c(C)c3C)cs2)cc1OC 1872793354 WAHHUJJAGVTHOI-KGENOOAVSA-N 462.615 7.077 50 10 JKGE CC(C)(C)OC(=O)N1CCC[C@@H](C(=O)N/N=C/c2ccc(OCc3cccc(Cl)c3)cc2)C1 1873499357 QZPMVVRTMYVVPH-QDCCHXAWSA-N 471.985 5.016 50 10 JKGE Cc1csc([C@H](Br)c2sc(Cl)cc2I)c1Cl 1901026582 QZBZCPCULROPDR-SSDOTTSWSA-N 468.006 6.514 50 10 JKGE C[C@H](Br)CN(Cc1ccccc1)c1ncc(Br)cc1C(F)(F)F 1914651809 UHXFJNDKFQIQPF-NSHDSACASA-N 452.112 5.653 50 10 JKGE CC(C)[C@H](CCl)N(Cc1ccccc1)C(=O)c1ccc(I)c(Cl)c1 1915289211 QWGWIVZKEFBAFT-SFHVURJKSA-N 476.185 5.850 50 10 JKGE Cc1c(Br)sc([C@@H](Br)c2cc(F)c(F)c(F)c2F)c1Br 1922937769 ZIGVHERJQGSBNN-ZETCQYMHSA-N 496.943 6.622 50 10 JKGE FC(F)(F)COCC[C@H](Cl)c1c(Br)sc(Br)c1Br 1924590238 IKZCURLTRUWHHB-BYPYZUCNSA-N 495.380 6.285 50 10 JKGE Cl[C@@H](c1cscc1OCc1ccccc1)c1cc(Br)sc1Br 1934840275 UZQPUVKOZAAXIC-OAHLLOKOSA-N 478.658 7.242 50 10 JKGE Cc1c([C@@H](Br)c2cc(Br)c(Cl)s2)c(Br)nn1C 2014560572 QWYRIZDHOKCKFH-QMMMGPOBSA-N 463.420 5.453 50 10 JKGE Cc1cc(Br)c([C@H](Br)c2cc(Cl)c(Cl)s2)cc1Br 2038474713 UVIRXGKDRBSXHO-NSHDSACASA-N 493.873 7.373 50 10 JKGE Br[C@@H](Cc1nc2ccccc2s1)c1cc(I)sn1 2056487670 NLAINFHILSXSID-ZETCQYMHSA-N 451.152 5.036 50 10 JKGE CCOc1ccc([C@@H](Br)c2cc(Br)sn2)c(Br)c1 2056491689 SWAVLXSFTNYOTH-GFCCVEGCSA-N 455.997 5.551 50 10 JKGE COc1ccc2c(c1)Oc1cc(OC(=O)OCCBr)ccc1[C@]21OC(=O)c2ccccc21 2060428812 XOUSDCPPGSMKQF-XMMPIXPASA-N 497.297 5.174 50 10 JKGE Fc1cc(Cl)ccc1[C@H](Br)c1ccc(Br)cc1Br 2083336535 AXQOGYZKEMPKOR-CYBMUJFWSA-N 457.362 6.488 50 10 JKGE C[C@H]1Cc2cc([C@@H](Br)c3csc(Br)c3Br)ccc2O1 2093942470 SSFDJSRBEWJAIR-JVXZTZIISA-N 467.020 6.081 50 10 JKGE O=C(c1scc(Br)c1Br)N1[C@H](CBr)C[C@H]2CCC[C@@H]21 2108400285 VUVZSVQSEDGNAW-WEDXCCLWSA-N 472.040 5.051 50 10 JKGE Cn1cnc(Cl)c1COc1c(Br)cc(Br)cc1CBr 2111948430 ZHZLBFOSSMGYDD-UHFFFAOYSA-N 473.390 5.072 50 10 JKGE Clc1cccc(CC[C@@H](Br)c2ccccc2Br)c1Br 2113436946 OWHJFHQPOKRUMP-CYBMUJFWSA-N 467.426 6.934 50 10 JKGE BrC[C@@H]1CCN(Cc2cc(Br)ccc2Br)C12CCC2 2133826139 VRQNDICGOVGSOA-LBPRGKRZSA-N 452.028 5.351 50 10 JKGE Cc1sc(Br)c([C@@H](Cl)c2ccc(Br)c(C)c2Br)c1C 2138852599 OMHSSFKVQXQXMO-ZDUSSCGKSA-N 487.482 7.289 50 10 JKGE O=C(c1cc(Br)ccc1Br)N1CC[C@H](Br)CC12CCC2 2169883550 ALTDRAOACLYIAX-NSHDSACASA-N 466.011 5.134 50 10 JKGE CC1(C)OC[C@H](c2sc(Br)c(Br)c2Br)[C@H]1Br 2212201229 VAJRLPFLXSZMAJ-SPGJFGJESA-N 497.872 5.692 50 10 JKGE CCc1sc(Br)cc1[C@@H](Cl)c1cc(C)ccc1I 2224053093 GRXTVXLXECAQTP-AWEZNQCLSA-N 455.586 6.314 50 10 JKGE CCc1nc([C@@H](Cl)c2cc(Br)c(Br)cc2F)c(Br)s1 2225617873 WGEOWRKDFGIMMG-JTQLQIEISA-N 492.433 6.460 50 10 JKGE Fc1cc(Br)c(Br)cc1[C@H](Br)[C@@H]1[C@@H]2CCC(F)(F)[C@H]21 2225617886 SDANYNMSGLCOFI-RWXLGCHESA-N 462.929 6.078 50 10 JKGE Fc1cc(Br)c(Br)cc1[C@H](Br)C1CCC(F)(F)CC1 2225619655 LUWNAXKJYDOTTD-GFCCVEGCSA-N 464.945 6.612 50 10 JKGE CCOc1ccc([C@@H](Br)c2cc(Br)c(C)s2)c(Br)c1 2226081426 CUPVSEFXHOCZNB-CQSZACIVSA-N 469.036 6.465 50 10 JKGE Fc1cc(Br)cc(N2C[C@@H]3CCC[C@H](C2)N3Cc2ccccc2)c1CBr 2226353899 ZPLHARRHEJOMAP-HDICACEKSA-N 482.235 5.726 50 10 JKGE Cc1cc(Br)c([C@H](Br)C2(C)CCCCC2)c(C)c1Br 2227348224 MTDOTGPBGFRJKG-HNNXBMFYSA-N 453.056 7.235 50 10 JKGE Cc1nc2c(cc1Br)nc([C@H](C)Cl)n2C[C@H]1CC1(Br)Br 2233042764 YGEBENRYDSFYOA-POYBYMJQSA-N 486.433 5.308 50 10 JKGE Cc1cc(Br)c([C@H](Br)[C@H]2CCC[C@@H](C)CC2)c(C)c1Br 2235600897 SQKNRXYFIOJZJI-ANTHHZPCSA-N 467.083 7.481 50 10 JKGE Fc1cc(Cl)c([C@H](Cl)c2cc(Br)c(Cl)s2)cc1Br 2258108463 AUHQWGWPCJYBHI-JTQLQIEISA-N 453.385 7.047 50 10 JKGE COc1c(Br)cc(Cl)cc1[C@@H](Br)c1cc(Br)cs1 2263453532 ZIMLIHCPYBFYGK-LLVKDONJSA-N 475.427 6.419 50 10 JKGE COc1ccc([C@@H](Cl)c2cccc(Br)c2C)cc1I 2269552936 NTDYXWFKTUANJL-OAHLLOKOSA-N 451.529 5.699 50 10 JKGE Cc1csc([C@@H](Cl)c2c(F)cc(Br)c(F)c2Br)c1Br 2272721188 FHMJDHBTFRKGEQ-JTQLQIEISA-N 495.408 6.950 50 10 JKGE COc1ccc([C@H](Cl)Cc2ccccc2I)c(Br)c1Cl 2283552758 IQKCZJKBDWEDIL-LLVKDONJSA-N 485.974 6.238 50 10 JKGE C=CC[C@@]1(CBr)CCCN1C(=O)c1cccc(Br)c1Br 2287745267 NRRIKULSBBMBDX-HNNXBMFYSA-N 466.011 5.157 50 10 JKGE Fc1cc([C@H](Br)c2c(F)cc(Br)c(F)c2Br)ccc1Cl 2288494192 COUZNZQVLMKOLM-NSHDSACASA-N 493.342 6.767 50 10 JKGE O=C(c1csc(Br)c1Br)N1CCC(CBr)(C(F)F)CC1 2289930543 ZJOGMEJPCPXLQK-UHFFFAOYSA-N 496.009 5.156 50 10 JKGE Fc1ccc([C@H](Cl)Cc2cc(Br)cc(Br)c2)c(F)c1Br 2295273777 BXGCRHPXSPNFQE-LLVKDONJSA-N 489.379 6.775 50 10 JKGE C[C@@H](C[C@@H](Br)Cc1cc(Br)cc(Br)c1)c1ccccc1 2295333541 LDZUBHOTEUCQOB-SWLSCSKDSA-N 461.035 6.711 50 10 JKGE CCOc1cc(C=C(C#N)C(=O)Nc2ccc3c(c2)OCCO3)ccc1OCc1ccccc1C 2295669930 MVROEEDXSILPIQ-UHFFFAOYSA-N 470.525 5.290 50 10 JKGE CCOC(=O)c1ccc(-c2ccc(C=C(C#N)C(=O)Nc3sccc3C(=O)OC(C)C)o2)cc1 2295672319 MPLNXTPNJFUOJH-UHFFFAOYSA-N 478.526 5.296 50 10 JKGE CCCCOC(=O)c1ccc(NC(=O)C(C#N)=Cc2cn(Cc3ccccc3)c3ccccc23)cc1 2297456651 DXEQLSJDLNJDQB-UHFFFAOYSA-N 477.564 6.192 50 10 JKGE Brc1cc(OCc2ccccc2)ccc1[C@H](Br)[C@]12CCOC[C@@H]1C2 2299533598 UVQQCXRAVOYJAN-YSSFQJQWSA-N 452.186 5.891 50 10 JKGE FC1(F)[C@@H]2CC[C@H]([C@H](Br)c3sc(Cl)cc3I)[C@@H]21 2300956917 HCVDYRMZSUUDPB-MKTOGPLKSA-N 453.517 5.733 50 10 JKGE CCC[C@H](CCBr)NCc1ccc(I)c(Br)c1 2306221964 OGVGDROOORIRTQ-LLVKDONJSA-N 475.006 5.097 50 10 JKGE BrC[C@@]1(Cc2ccc(I)c(Br)c2)CC12CCC2 2306227732 ORRSGNSOAFLWHK-CQSZACIVSA-N 469.986 5.552 50 10 JKGE Cc1ccc(NC(=O)C(C#N)=Cc2cc(C)n(-c3ccc(N4CCOCC4)cc3)c2C)cc1C 2313624082 LQNOFWVYYYXRGB-UHFFFAOYSA-N 454.574 5.093 50 10 JKGE N#CC(=Cc1ccc(OCc2ccc(Cl)cc2Cl)cc1)C(=O)Nc1ccccc1Cl 2313631062 JRMMVDSGJRVTKE-UHFFFAOYSA-N 457.744 6.771 50 10 JKGE COc1cc(C=C(C#N)C(=O)Nc2cccc3ccccc23)ccc1OC(=O)c1ccc(C)cc1 2313670485 ACNQIALJSBOELM-UHFFFAOYSA-N 462.505 5.922 50 10 JKGE FC1(F)[C@@H]2CC[C@@H]([C@@H](Br)c3cc(Br)ccc3OCc3ccccc3)[C@@H]21 2314454597 HMTMXXWTKNQXBM-SKWUIDRYSA-N 472.167 6.755 50 10 JKGE Brc1cc(OCc2ccccc2)ccc1[C@@H](Br)C12CCC(CC1)CC2 2314456162 UVWCAJBRFXMLKQ-VUQFPLBCSA-N 464.241 7.435 50 10 JKGE Clc1cc(I)c([C@H](Br)c2csc3ccccc23)s1 2316599012 LFLXYAKTENCWKQ-GFCCVEGCSA-N 469.594 6.705 50 10 JKGE CCN(Cc1ccccc1)c1ccc(C=NNC(=O)c2ccc3[nH]c4c(c3c2)CCCC4)cc1 2323149285 FMDKHDZPUCPKKO-UHFFFAOYSA-N 450.586 5.837 50 10 JKGE C[C@@H](NC(=O)C(C#N)=CNc1cc(C(F)(F)F)cc(C(F)(F)F)c1)C12CC3CC(CC(C3)C1)C2 2324904290 OAAPZITUTXCCPL-ZHHULCEESA-N 485.472 6.265 50 10 JKGE COc1cc(C=C2Oc3cc(OCc4ccc(CCl)cc4)ccc3C2=O)cc(OC)c1OC 2325339289 NEYKPMBSYLRTPH-UHFFFAOYSA-N 466.917 5.646 50 10 JKGE N#CC(=Cc1cc(Br)ccc1O)c1nc(-c2cccc(Br)c2)cs1 2331432133 SMLFSHVSVWWSGN-UHFFFAOYSA-N 462.166 6.105 50 10 JKGE CCC1(C)CC([C@H](Br)c2c(Cl)cc(Br)c(F)c2Br)C1 2337113402 XREKIUAFHYKXFA-XXCWSLKQSA-N 477.437 7.266 50 10 JKGE C[C@H](C1CCCC1)[C@@H](Br)c1c(Cl)cc(Br)c(F)c1Br 2337113588 YPSPEPIHVUKGSF-JMCQJSRRSA-N 477.437 7.266 50 10 JKGE Cn1nc(Br)c(Br)c1[C@@H](Br)c1ccc(CC2CC2)s1 2338859982 ISTXTSGVSSUOSO-JTQLQIEISA-N 469.040 5.443 50 10 JKGE Clc1ccc(COc2cccc(Cl)c2CBr)c(I)c1 2340110932 VWRNOBCFSIXMFA-UHFFFAOYSA-N 471.947 6.072 50 10 JKGE ClCc1cc(Cl)cc(OCc2cc(I)ccc2Br)c1 2341780687 UUCMVQDDMORKIW-UHFFFAOYSA-N 471.947 6.025 50 10 JKGE CCC1(CC)[C@@H](Cl)C[C@@H]1OCc1cc(I)ccc1Br 2341838789 RWMWYFRZNNKCIE-KBPBESRZSA-N 457.577 5.756 50 10 JKGE CN(Cc1ccc(I)c(Br)c1)C[C@@H](Cl)C1CCCC1 2349838986 FBUDMFXYNWFMRW-CQSZACIVSA-N 456.593 5.283 50 10 JKGE Fc1c(Br)cc(Cl)c([C@@H](Br)[C@@H]2CC[C@@H]3C[C@H]2CO3)c1Br 2362232184 KSKGDQOLWMPRES-FCGKXJCRSA-N 491.420 6.255 50 10 JKGE ClC[C@@H](Cc1cccc(Br)c1)Cc1ccc(Cl)c(I)c1 2362378602 ILYXDCUOTGICJL-ZDUSSCGKSA-N 484.002 6.347 50 10 JKGE CN(Cc1c(Br)c(Br)nn1C)c1c(Cl)cccc1CBr 2364376340 KIYURZXOHYNLIC-UHFFFAOYSA-N 486.433 5.130 50 10 JKGE COc1c(Br)cc(C)c([C@H](Br)[C@@H]2CCC[C@@H]3C[C@@H]32)c1Br 2365187600 BTXUVIWJCJIBPH-NJBDSQKTSA-N 467.039 6.401 50 10 JKGE CCN(C[C@](C)(CBr)OCc1cc(Cl)c(OC)c(Cl)c1)C(=O)OC(C)(C)C 2365590303 FGHYXUXPPRERQJ-IBGZPJMESA-N 485.246 5.929 50 10 JKGE COc1cc([C@@H](Br)c2cc(I)cc3c2OCC3)sc1Cl 2365830430 QRSGHFTXYNRXFQ-LBPRGKRZSA-N 485.568 5.434 50 10 JKGE FC(F)(F)[C@H]1C[C@@H](Cl)CCN1Cc1ccc(I)c(Br)c1 2377327957 XVZPTGJFXJGWTE-JOYOIKCWSA-N 482.509 5.188 50 10 JKGE Cc1cc(Br)c([C@@H](Br)[C@H]2C[C@@H](C(F)(F)F)C2)c(C)c1Br 2380889439 KFGFDFDOEKDBID-RWEMILLDSA-N 478.972 6.853 50 10 JKGE CC(C)(C)OC(=O)Nc1nc2cc(NC(=O)[C@@H](Br)C3CCCC3)ccc2s1 2382199631 FWXZKCLVUBGLRA-HNNXBMFYSA-N 454.390 5.536 50 10 JKGE CCOC(=O)c1c(NC(=O)/C(C#N)=C\c2ccc(OCC)c(OC)c2)sc2c1[C@@H](C)CCC2 1974889 IMEDMCCTDGACAC-ZKMNFCBKSA-N 468.575 5.318 50 10 JKGE Cc1ccc2nc(N(/N=C/c3cccs3)C(=O)c3ccc(Br)s3)sc2c1 9149359 XLEZBKKDXVRTBP-KEBDBYFISA-N 462.419 6.171 50 10 JKGE CCOC(=O)c1c(NC(=O)/C(C#N)=C/c2ccc(-c3ccccc3[N+](=O)[O-])o2)sc2c1CCCC2 28287407 QWTMTERMFQTLFQ-FYWRMAATSA-N 491.525 5.517 50 10 JKGE CCOc1cc(/C=N/NC(=O)CSc2nc3ccccc3s2)ccc1OCCc1ccccc1 32520713 YMQTTYKRRBQKBL-WPWMEQJKSA-N 491.638 5.559 50 10 JKGE CCCCOc1ccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4ccc(F)cc4)ccc32)cc1OC 38660082 ISGYTDRCWAHTAQ-SANMLTNESA-N 488.515 5.451 50 10 JKGE CCc1ccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)Cc4cccc5ccccc45)ccc32)cc1 38677325 XERGYGNUNPZYPT-LJAQVGFWSA-N 460.533 5.768 50 10 JKGE Cc1cccc(OCC(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@@H]3c2c(Cl)cccc2Cl)c1 38679680 WRTUUSZFFNOYLI-HSZRJFAPSA-N 481.335 5.504 50 10 JKGE CCCCCOc1ccccc1[C@@H]1C(C#N)=C(N)Oc2cc(OC(=O)c3cccs3)ccc21 38686081 MKEOTMWGESHICD-DEOSSOPVSA-N 460.555 5.754 50 10 JKGE N#C/C(=C/c1c(Oc2ccc(Cl)cc2)nc2ccccn2c1=O)C(=O)Nc1ccc(Cl)cc1 39858586 KNYMORWRFOHIOZ-SQFISAMPSA-N 477.307 5.339 50 10 JKGE N#C/C(=C\c1ccc2noc(-c3ccccc3)c2c1)C(=O)Nc1ccc(C(F)(F)F)c(Cl)c1 39884880 UFEAURKSYWHRDJ-MHWRWJLKSA-N 467.834 6.713 50 10 JKGE N#C/C(=C\c1ccc(-c2cccc(F)c2)o1)c1nc(-c2ccc(Br)cc2)cs1 39885017 LTIHGVJUVFCCTF-LFIBNONCSA-N 451.320 7.036 50 10 JKGE O=C(NNc1ncnc(Nc2ccc(/N=N/c3ccccc3)cc2)c1[N+](=O)[O-])c1ccc(F)cc1 40645897 HHJVAAPBJKIJNS-ZQHSETAFSA-N 472.440 5.440 50 10 JKGE Cc1c(Cl)cccc1NC(=O)c1oc2c(c1C)/C(=N/NC(=O)c1ccc([N+](=O)[O-])cc1)CCC2 40812185 JYGYHKWURUGCMV-ZXVVBBHZSA-N 480.908 5.181 50 10 JKGE O=C(/C=C/c1ccccc1)N/N=C1\C(=O)N(Cc2ccc(Cl)cc2)c2ccc(Br)cc21 40840304 FERCSECRFPZHCJ-BVEFYQCGSA-N 494.776 5.183 50 10 JKGE COc1ccc(/C=C(\C#N)C(=O)N(c2cc(C)ccc2C)S(=O)(=O)c2ccc(Cl)cc2)cc1 40971408 WMXADGVFAJSDDX-HMMYKYKNSA-N 480.973 5.295 50 10 JKGE CCOc1cc(/C=N\NC(=O)CC[C@H](O)c2ccccc2)cc(Cl)c1OCc1ccc(F)cc1 58891393 QOEAQTZWJWFNDG-XZJBEKIMSA-N 484.955 5.421 50 10 JKGE CCOc1ccc([C@H](O)CCC(=O)N/N=C\c2cn(Cc3ccccc3F)c3ccccc23)cc1 58894709 NTIUMTRCKCERQE-XAEFBWORSA-N 473.548 5.191 50 10 JKGE COc1cccc(/C=C(/C#N)C(=O)Nc2cccc([N+](=O)[O-])c2)c1OCc1ccc(Cl)c(Cl)c1 59297505 OEYJRJFYKJSYBG-BOPFTXTBSA-N 498.322 6.035 50 10 JKGE C=CCc1cccc(/C=N/NC(=O)c2ccccc2OCc2ccc(Br)cc2)c1O 96095876 HWQGJCMHTRNSQY-CVKSISIWSA-N 465.347 5.226 50 10 JKGE CC(C)c1ccc(N2C(=O)[C@H](Cc3ccccc3)S/C2=C(/C#N)C(=O)N[C@H](C)c2ccccc2)cc1 101243186 QPFGDLISSQBZKP-UVGSMNACSA-N 495.648 6.114 50 10 JKGE N#C/C(=C/c1cn(CCOc2ccccc2)c2ccccc12)C(=O)Nc1nc2ccccc2s1 102443749 ALIWXUNJFMBKEH-MNDPQUGUSA-N 464.550 5.876 50 10 JKGE N#C/C(=C/Nc1ccc(S(=O)(=O)Nc2nccs2)cc1)c1nc(-c2cccs2)cs1 102465241 LNWNOHUKNGCSGE-QBFSEMIESA-N 471.614 5.105 50 10 JKGE COc1cc(/C=C(/C#N)c2nc(-c3cccc4ccccc34)cs2)cc(Br)c1O 102905598 COFXQSYSZBREPI-SXGWCWSVSA-N 463.356 6.504 50 10 JKGE CCOc1ccc(Br)cc1[C@@H](Br)c1cc(F)cc(Br)c1 109871564 ILDHVTVXGIIRNC-HNNXBMFYSA-N 466.970 6.234 50 10 JKGE Cc1ccc(C(CBr)(CBr)Cc2cccc(Br)c2)cc1 118876728 YPHZBPHMSWRVLZ-UHFFFAOYSA-N 461.035 6.028 50 10 JKGE Cc1cc(I)ccc1NC(=O)/C(C#N)=C\Nc1cc(Cl)ccc1Cl 217253691 OWQALYHKCWNUQE-LUAWRHEFSA-N 472.113 5.365 50 10 JKGE Cc1cc([C@H](Cl)c2cc(I)ccc2Br)c(Cl)cc1F 235882244 HJVOHSYOMSROGX-CQSZACIVSA-N 473.938 6.483 50 10 JKGE Clc1ccc([C@@H](Br)c2cc(Br)sc2Br)c2ccccc12 236062076 PGOAULDRIIJEPO-CQSZACIVSA-N 495.461 7.564 50 10 JKGE Fc1cc([C@H](Br)c2ccc(Cl)c(Br)c2)c(F)cc1Br 236236170 JAOQTKLYXMXKGR-CYBMUJFWSA-N 475.352 6.628 50 10 JKGE COc1ccc(/C=C(\NC(=O)c2ccccc2)C(=O)NN=C(C)/C=C/C=C/c2ccccc2)cc1OC 254289157 FTDHOBOWEDRCEE-XQSIVYJKSA-N 495.579 5.236 50 10 JKGE O=C(COc1ccc(-c2ccccc2)cc1)NN=Cc1ccc(-c2cccc(C(F)(F)F)c2)o1 254622539 ADHOZEYGOWYUBK-UHFFFAOYSA-N 464.443 6.162 50 10 JKGE CC[C@@H]1CCC[C@H](OC2(CI)CCN(C(=O)OC(C)(C)C)CC2)C1 303741840 QCJJPGWMYJPVLU-CVEARBPZSA-N 451.389 5.177 50 10 JKGE O=C(N[C@@H]1c2ccccc2C[C@@H]1Br)c1cc(Br)sc1Br 312185492 CSRULWODNUXVKZ-CMPLNLGQSA-N 480.019 5.064 50 10 JKGE Fc1ccc2c(c1)nc(CCl)n2-c1ccc(I)cc1Br 312315283 YJJRFZBDPDQHDO-UHFFFAOYSA-N 465.491 5.271 50 10 JKGE C[C@H](Cl)c1nc2cc(I)ccc2n1[C@H]1CCN(Cc2ccccc2)[C@H](C)C1 379613661 XHXGLDHLODZVGD-GJYPPUQNSA-N 493.820 6.166 50 10 JKGE COc1cc(Br)c([C@H](Br)c2ccc(OCc3ccccc3)cc2)cc1OC 380788570 HSEBOJFVLNNVGI-JOCHJYFZSA-N 492.207 6.530 50 10 JKGE CCOc1ccc([C@H](Br)c2cc(Br)oc2C)c(Br)c1 396555343 VHRVXTBULYQHOY-AWEZNQCLSA-N 452.968 5.996 50 10 JKGE Fc1ccc([C@@H](Br)c2cc(Br)sc2Br)c(F)c1Cl 689692751 ZEPADSRYVRJFHY-MRVPVSSYSA-N 481.381 6.689 50 10 JKGE Fc1cc(I)ccc1-n1c(CCl)nc2cccc(Br)c21 697801731 AEDSHVIZBALYLM-UHFFFAOYSA-N 465.491 5.271 50 10 JKGE Clc1cccnc1CC(CBr)(CBr)c1ccccc1Br 703911874 ZRFUTTGVZSBGEK-UHFFFAOYSA-N 482.441 5.768 50 10 JKGE Fc1ccc(N2CC[C@@H]3[C@H](CCCN3Cc3ccccc3)C2)c(CBr)c1Cl 715015076 OQVWUBYIFGJDRQ-YLJYHZDGSA-N 451.811 5.865 50 10 JKGE FC(F)(F)c1cscc1[C@@H](Br)c1cc(Br)ccc1Br 717175511 XPJBYYAWQOAHGQ-NSHDSACASA-N 478.953 6.776 50 10 JKGE Cc1sc([C@@H](Br)c2cc(F)cc(Br)c2)c(C)c1Br 724926672 AVGKBPJVVWPVRX-LBPRGKRZSA-N 457.000 6.513 50 10 JKGE O=C(CSc1nc2ccc([N+](=O)[O-])cc2s1)NN=Cc1cccc(Oc2ccccc2)c1 1084633169 SMIKFDSRUNVDHI-UHFFFAOYSA-N 464.528 5.239 50 10 JKGE COc1cc(C=NNC(=O)[C@H](C)Oc2ccc(C(C)(C)C)cc2)ccc1OCc1ccccc1C 1772755621 AOELFOPJVGRTMJ-NRFANRHFSA-N 474.601 5.798 50 10 JKGE CCCc1nn(Cc2ccc(Cl)c(Cl)c2)c2c1[C@H](c1cccc(OC)c1O)C(C#N)=C(N)O2 1865683225 ATSXHFDVSDLVNH-HXUWFJFHSA-N 485.371 5.123 50 10 JKGE COc1ccc2ccccc2c1[C@@H]1C(C#N)=C(N)Oc2c1c(C(F)(F)F)nn2Cc1ccccc1F 1865688100 JMEMGIPHXMEPGT-NRFANRHFSA-N 494.448 5.469 50 10 JKGE CCCc1nn(Cc2ccc(C)cc2)c2c1[C@@H](c1ccc(OCC)c(OCC)c1)C(C#N)=C(N)O2 1865689193 MHOZBPUGKBENFX-VWLOTQADSA-N 472.589 5.208 50 10 JKGE CCc1nn(Cc2ccc(F)cc2)c2c1[C@@H](c1ccc(OCc3ccccc3)cc1)C(C#N)=C(N)O2 1865689477 AIDXIXWRNXPIQI-SANMLTNESA-N 480.543 5.430 50 10 JKGE CCc1nn(Cc2ccccc2F)c2c1[C@H](c1ccc(OCc3ccccc3)cc1)C(C#N)=C(N)O2 1865690320 OONDMTPFMUIDND-AREMUKBSSA-N 480.543 5.430 50 10 JKGE CCCOc1c(OC)cccc1[C@H]1C(C#N)=C(N)Oc2c1c(C)nn2-c1cccc2ccccc12 1865692437 FQQQWOWEEJAFIM-VWLOTQADSA-N 466.541 5.350 50 10 JKGE N#CC1=C(N)Oc2c(c(-c3ccccc3)nn2-c2ccccc2Cl)[C@H]1c1ccccc1C(=O)O 1865703872 HUKDFYQVABFXRL-NRFANRHFSA-N 468.900 5.109 50 10 JKGE COc1cccc([C@H]2C(C#N)=C(N)Oc3c2c(C(F)(F)F)nn3-c2ccc(Cl)c(Cl)c2)c1 1865712184 RPROZFWCFPKFNP-INIZCTEOSA-N 481.261 5.425 50 10 JKGE COc1ccc(-c2nn(Cc3ccccc3Cl)c3c2[C@@H](c2ccc(OC)cc2)C(C#N)=C(N)O3)cc1 1865712760 HGOKDKVRSHKGBM-DEOSSOPVSA-N 498.970 5.487 50 10 JKGE Cc1cc(C)c(C)c(-c2csc(/C(C#N)=C(\O)[C@H]3CC(=O)N([C@@H](C)c4ccccc4)C3)n2)c1C 1872754264 KNIWOTOJHQHMSN-UNYOKBCWSA-N 471.626 6.446 50 10 JKGE COc1ccc(-c2csc(/C(C#N)=C/c3ccc(OC(=O)c4ccccc4)c(OC)c3)n2)cc1C 1872781244 ZZDPIYVWFBSASZ-HYARGMPZSA-N 482.561 6.419 50 10 JKGE COCCOc1ccc([C@H](Br)[C@H]2C[C@H](Br)C2)cc1Br 1887748031 AVFDCOCLUFMJCK-MJVIPROJSA-N 457.000 5.084 50 10 JKGE Cc1sc(Br)cc1S(=O)(=O)N(Cc1ccccc1)[C@H](C)CCBr 1915089316 XJMRXQWQOCWBFP-GFCCVEGCSA-N 481.275 5.183 50 10 JKGE Cc1c(Br)sc([C@H](Br)[C@@]2(C)CC[C@H](C)C2(C)C)c1Br 1922907880 ZCSPCUSPFKUWMX-KKUKJKQGSA-N 473.112 7.480 50 10 JKGE Clc1c(Br)sc(Br)c1[C@@H](Br)CC[C@H]1CCOC1 1923050117 QMNIFXBGZCIRPU-BQBZGAKWSA-N 467.448 6.179 50 10 JKGE C[C@@H]1C[C@@H]1CC[C@H](Cl)c1c(Br)sc(Br)c1Br 1989526167 BBUSFYBYKHMMOP-VQVTYTSYSA-N 451.449 6.752 50 10 JKGE C[C@@H]1C[C@@H]([C@H](Cl)c2c(Br)sc(Br)c2Br)CCO1 2011643857 HYBDQECKQZLFDS-JHEQGTHGSA-N 467.448 6.131 50 10 JKGE COc1ccc([C@H](Br)c2csc(Br)c2Br)cc1F 2032959248 YBWNZPGSFKUVDM-JTQLQIEISA-N 458.972 5.905 50 10 JKGE CCOc1ccc([C@@H](Br)c2cc(Br)cs2)cc1Br 2052438896 XNZLEUBDVRGBIF-CYBMUJFWSA-N 455.009 6.156 50 10 JKGE N#CC(=Cc1cc(Cl)c(OCc2ccccc2Cl)c(Cl)c1)c1nc2ccccc2s1 2053482022 SQJBUWKIIZZIAJ-UHFFFAOYSA-N 471.796 7.900 50 10 JKGE CCCC1CCC([C@@H](Br)c2cc(Br)sc2Br)CC1 2072698178 ZGTKJJJIYMJHQC-SRHKJQAYSA-N 459.085 7.316 50 10 JKGE Cc1cc(Cl)c(Br)cc1[C@@H](Br)c1ccccc1Br 2082377540 RSFCTPFXQLXQCJ-AWEZNQCLSA-N 453.399 6.658 50 10 JKGE Clc1ccc(COc2c(Br)cccc2CBr)c(Br)c1 2088513221 XCQCZJBKOOJECV-UHFFFAOYSA-N 469.398 6.339 50 10 JKGE C[C@H]1[C@@H](Br)C[C@H]2CC[C@H]1N2Cc1ccc(Br)cc1Br 2092260463 HRBPAEUSEXZJEU-BYDSVVRCSA-N 452.028 5.348 50 10 JKGE Clc1c(Br)ccc(CBr)c1N1C[C@@H]2CCN(Cc3ccccc3)C[C@@H]2C1 2098118016 SGHPICZHLJIZCR-ZWKOTPCHSA-N 498.690 5.956 50 10 JKGE CO[C@H]1CC[C@H]1CCOc1c(Br)cc(Br)cc1CBr 2130343079 AYNMMWWWASMJEA-ZANVPECISA-N 457.000 5.300 50 10 JKGE F[C@@H]1[C@H](Br)C[C@H]2CC[C@H]1N2Cc1ccc(Br)cc1Br 2134126997 RDIIFIFHAPGPFQ-FMKGYKFTSA-N 455.991 5.050 50 10 JKGE COc1ccc(CBr)cc1OCc1cccc(Br)c1Br 2148752562 UNGSJOGVIFBAEG-UHFFFAOYSA-N 464.979 5.694 50 10 JKGE COc1cc(Br)c([C@H](Br)c2cc(C)sc2Br)cc1OC 2157247385 DBCDKQIDAKSTCQ-ZDUSSCGKSA-N 485.035 6.083 50 10 JKGE CC1(C)CC(CBr)(CNC(=O)c2c(Br)cccc2Br)C1 2158302921 JEBVNXUEDHZSHC-UHFFFAOYSA-N 468.027 5.143 50 10 JKGE CC(C)(C)OC(=O)N[C@H]1CN(CC2(CBr)CCCCCC2)C[C@@H]1C(F)(F)F 2163057681 DFFLVZCLWCGUKX-GJZGRUSLSA-N 457.375 5.109 50 10 JKGE COc1ccc(C[C@H](Cl)c2cc(Br)ccc2I)cc1F 2168399504 BZAUTQHFJHDOJG-LBPRGKRZSA-N 469.519 5.724 50 10 JKGE CCCc1nc(COc2c(Br)cc(Br)cc2CBr)cs1 2169855384 DJKAMKBGHWVQHD-UHFFFAOYSA-N 484.051 6.095 50 10 JKGE CC[C@H]1CC[C@H](COc2c(Br)cc(CBr)cc2Br)CC1 2193010380 ZUNOFESEPBSZGQ-HAQNSBGRSA-N 469.055 6.702 50 10 JKGE CCOc1cc(Br)c([C@H](Br)[C@H]2C[C@H](Br)C2)cc1OCC 2196882023 YDVLYFCHVQHPQH-IQMDTDKHSA-N 471.027 5.856 50 10 JKGE Brc1ccc([C@H](Br)c2cccc3c2CCCC3)c(Br)c1 2203682120 CPMQDXXLZOGSLZ-QGZVFWFLSA-N 459.019 6.575 50 10 JKGE COc1ccc([C@H](Br)c2ccc(Br)c(C)c2Br)cc1C 2203684027 MLCDDLZPYSVIMU-INIZCTEOSA-N 463.007 6.321 50 10 JKGE CCC[C@H]1CN(C(=O)c2c(Br)cccc2Br)C[C@H]1CBr 2205683358 NJLDUGJHAKUGSN-WDEREUQCSA-N 468.027 5.095 50 10 JKGE Cc1sc(C(=O)N(Cc2ccccc2)[C@@H](CBr)C2CC2)c(C)c1Br 2213744396 KPBCYPDUQYCIET-INIZCTEOSA-N 471.258 5.943 50 10 JKGE Cc1cc(Br)c([C@@H](Cl)c2sccc2I)c(C)c1Cl 2217610441 IXOYLLGUUFPYKW-GFCCVEGCSA-N 476.004 6.714 50 10 JKGE Cc1cc([C@@H](Br)c2sc(C)c(Br)c2C)c(C)cc1Br 2226086577 QRYVVQLPGDOSBI-CQSZACIVSA-N 467.064 6.991 50 10 JKGE Cc1cc(Br)c([C@H](Br)[C@H]2C[C@@H]2C(C)(F)F)c(C)c1Br 2227352793 QWDIKGHETPEHSJ-MWODSPESSA-N 460.982 6.556 50 10 JKGE Fc1c(Br)cccc1[C@@H](Br)Cc1ccc(Br)cc1Cl 2229152146 PCRCLXCLMWNROY-LBPRGKRZSA-N 471.389 6.683 50 10 JKGE CCOc1ccc([C@H](Cl)c2ccc(C)c(I)c2)cc1Br 2232832740 GKIVOZUDDXNDKJ-INIZCTEOSA-N 465.556 6.089 50 10 JKGE Cc1c(Br)cnc2c1nc([C@@H](C)Cl)n2C[C@H]1CC1(Br)Br 2233037340 BESSQVKHFVNAGY-HTQZYQBOSA-N 486.433 5.308 50 10 JKGE Cc1c(Br)ccc([C@@H](Cl)c2scc(Br)c2Cl)c1Br 2253599174 NLOGAKLHORGZCI-SNVBAGLBSA-N 493.873 7.326 50 10 JKGE Cc1sc(Br)c(C)c1[C@H](Cl)c1c(F)cccc1I 2255900756 IOKOWJIIAMNTQW-LBPRGKRZSA-N 459.549 6.199 50 10 JKGE COc1ccc([C@H](Cl)c2cc(Br)c(Cl)s2)c(Br)c1Cl 2268268069 LTLWBXUMPSTJOM-JTQLQIEISA-N 465.421 6.917 50 10 JKGE Fc1cc(Br)c(Br)cc1[C@H](Br)[C@H]1CCC[C@@H]1C(F)F 2270154880 KSVQUAGLOCVIPI-DJOAAKCGSA-N 464.945 6.468 50 10 JKGE FC1(F)[C@@H]2[C@@H]([C@H](Br)Cc3cc(Br)cc(Br)c3)CC[C@H]21 2277954836 GQQBBZWOTNRWGH-FDYHWXHSSA-N 458.966 5.809 50 10 JKGE Fc1cc(Br)cc([C@H](Cl)c2c(F)cc(Br)c(F)c2Br)c1 2288351970 FHAXRMLCRMKFBC-LBPRGKRZSA-N 493.342 6.720 50 10 JKGE COc1cc(C=C(C#N)C(=O)Nc2cc(Cl)ccc2C)ccc1OCc1ccc(C(=O)O)cc1 2293168033 GUERHFVRIFQDSL-UHFFFAOYSA-N 476.916 5.480 50 10 JKGE Cc1ccc(NC(=O)C(C#N)=Cc2cc(Cl)cc(Cl)c2OCCOc2c(C)cccc2C)cc1 2293485552 AGCIBJZKPBKJFQ-UHFFFAOYSA-N 495.406 6.922 50 10 JKGE COc1cc(C=C(C#N)c2ccc(F)cc2)c(Br)cc1OCc1cccc([N+](=O)[O-])c1 2294277053 PMULBCQYWCYDOD-UHFFFAOYSA-N 483.293 6.148 50 10 JKGE CCc1nn(C)c([C@H](Br)Cc2cc(Br)cc(Br)c2)c1Cl 2295336244 TVMWYSVLENQSIK-LLVKDONJSA-N 485.445 5.840 50 10 JKGE COc1cc([C@H](Br)Cc2cc(Br)cc(Br)c2)ccc1C 2295344940 GBEUBPBAWFSUCP-OAHLLOKOSA-N 463.007 6.207 50 10 JKGE COc1cc(Br)ccc1[C@@H](Cl)c1cc2sc(Br)cc2s1 2295502597 BMGXHQMZXAERGM-CQSZACIVSA-N 452.620 6.825 50 10 JKGE CCc1ccc(-c2csc(C(C#N)=CNc3ccc(I)cc3)n2)cc1 2295894350 POTMVXGENSWGRJ-UHFFFAOYSA-N 457.340 5.954 50 10 JKGE COc1ccc(C[C@@H]2SC(=C(C#N)C(=O)Nc3ccc(C)cc3)N(c3ccccc3C)C2=O)cc1 2296506740 CFQJYWXORZVTIG-VWLOTQADSA-N 483.593 5.377 50 10 JKGE N#CC(=Cc1ccc(-c2cc(Cl)c(Cl)cc2Cl)o1)c1nn(-c2ccccc2)c(N)c1C#N 2297371016 GIGJSNLYSLRZOF-UHFFFAOYSA-N 480.742 6.611 50 10 JKGE CCOc1cc(C=C(C#N)c2nc3ccccc3[nH]2)c(Br)c(Br)c1O 2297484299 ADTDRMLVNRRCHU-UHFFFAOYSA-N 463.129 5.256 50 10 JKGE Brc1cc(OCc2ccccc2)ccc1[C@H](Br)[C@H]1C[C@@H]2CC[C@H]1C2 2299494495 NRXNFNYNFMIBER-DFPKUZHUSA-N 450.214 6.900 50 10 JKGE CC1(C)COC[C@H]1[C@H](Br)c1cc(Br)ccc1OCc1ccccc1 2299627272 PCISTAQMUBWZBD-PKOBYXMFSA-N 454.202 6.137 50 10 JKGE COCc1ccc([C@@H](Br)c2scc(Br)c2Br)s1 2299902481 UTMCIVMMEGBYIO-SNVBAGLBSA-N 461.038 5.965 50 10 JKGE C[C@@H]1C[C@@]1(F)[C@H](Br)c1c(Cl)cc(Br)c(F)c1Br 2300169011 SBDHZWFANPSRHG-ZEONFMBXSA-N 453.346 6.188 50 10 JKGE C=CCc1cc(C=C(C#N)C(=O)Nc2ccc(C)cc2)cc(OC)c1OCc1ccc2ccccc2c1 2313568555 UPGPSBAYTYBVJM-UHFFFAOYSA-N 488.587 7.010 50 10 JKGE N#CC(=Cc1cn(Cc2ccccc2)c2ccccc12)C(=O)Nc1sc2c(c1C#N)CCCC2 2313630537 NLDUMKJXXVXFAX-UHFFFAOYSA-N 462.578 6.047 50 10 JKGE COc1cc(C=C(C#N)C(=O)NC2CCCC2)ccc1OCc1ccc(Br)cc1 2313738647 MDIRYADWNSFGDG-UHFFFAOYSA-N 455.352 5.002 50 10 JKGE FC(F)(F)[C@@H]1CC[C@H]1[C@H](Br)c1cc(Br)ccc1OCc1ccccc1 2314443753 ICYLIVGOWCTDMB-KYJSFNMBSA-N 478.146 7.053 50 10 JKGE C[C@@H]1O[C@H](C)[C@H]([C@@H](Br)c2ccc(OCc3ccccc3)cc2Br)[C@@H]1C 2314447870 CHWNUJMGLIYRMQ-NLBCRMTASA-N 468.229 6.524 50 10 JKGE COc1ccccc1Oc1nc2c(C)cccn2c(=O)c1C=C(C#N)C(=O)Nc1cccc(Cl)c1 2314532138 GMWOHYCAKPEIPN-UHFFFAOYSA-N 486.915 5.003 50 10 JKGE CCOc1cc(C=C2C(=O)N(C3CCCCC3)C(=O)C(C#N)=C2C)ccc1OCc1ccc(F)cc1 2314616619 FWDXVNZFHDOQDY-UHFFFAOYSA-N 488.559 5.728 50 10 JKGE Fc1c(Br)cc(Cl)c([C@H](Br)[C@@H]2C[C@@H]2C2CC2)c1Br 2315440333 RIHKVMIVDAXDKJ-OPVBNTEQSA-N 461.394 6.486 50 10 JKGE Clc1cc(I)c([C@@H](Br)[C@@H]2CCCCC23CCC3)s1 2316607994 XIALIRPOTZFMDU-CABZTGNLSA-N 459.618 6.803 50 10 JKGE Cc1sc([C@@H](Cl)c2ccc(Cl)cc2I)c(Br)c1C 2317773173 JXIQJIUKDLOPNA-LBPRGKRZSA-N 476.004 6.714 50 10 JKGE COc1ccc(C(C#N)=Cc2ccc(OC(=O)COc3c(C)cccc3C)c(OC)c2)cc1OC 2320506346 HSLMGHBGDFXBQT-UHFFFAOYSA-N 473.525 5.378 50 10 JKGE Cc1cccc(C(=O)c2cc(C#N)ccc2NC(=O)C(C#N)=Cc2cccc(Br)c2)c1 2329697173 NTGLIQPAGZELPO-UHFFFAOYSA-N 470.326 5.406 50 10 JKGE COC(=O)c1ccc(C(C#N)=Cc2cc(Br)c(OCc3ccccc3)c(OC)c2)o1 2331048469 KENBLCJINBFYJD-UHFFFAOYSA-N 468.303 5.480 50 10 JKGE N#CC(=C(O)c1ccc(Cl)cc1[N+](=O)[O-])c1nc(-c2ccc(-c3ccccc3)cc2)cs1 2331232362 FTKGESIILGFFPI-UHFFFAOYSA-N 459.914 6.989 50 10 JKGE C[C@@H](Oc1ccc(Cl)cc1Cl)C(O)=C(C#N)c1nc(-c2ccc(Br)cc2)cs1 2331259991 CGDXZWDMPDKPEA-LLVKDONJSA-N 496.213 7.140 50 10 JKGE COc1c(Cl)cc(Cl)cc1-c1csc(C(C#N)=C(O)C=Cc2ccc(C(C)(C)C)cc2)n1 2331362797 RMVDQEAVHAJREL-UHFFFAOYSA-N 485.436 7.929 50 10 JKGE COc1cc(-c2csc(C(C#N)=C(O)c3c(Cl)ccc(Cl)c3OC)n2)c(OC)cc1Cl 2331377273 FLDHWOZFFBKUST-UHFFFAOYSA-N 497.787 6.746 50 10 JKGE COc1cc(C)c(-c2csc(C(C#N)=C(O)[C@H]3CC(=O)N(Cc4ccccc4)C3)n2)cc1C 2331402681 FYECEULMHQMLFZ-IBGZPJMESA-N 459.571 5.277 50 10 JKGE COc1cc(C)c(-c2csc(C(C#N)=Cc3cc(Br)ccc3F)n2)cc1C(C)C 2331464176 HXDIOUGNAOSAQI-UHFFFAOYSA-N 471.395 7.216 50 10 JKGE CCCc1sc(Br)cc1[C@H](Br)c1ccc(Br)c(Cl)c1 2338026933 SKSUAEDMQLHFQT-CQSZACIVSA-N 487.482 7.363 50 10 JKGE Cc1c(F)ccc([C@H](Br)c2c(Br)c(Br)nn2C)c1F 2338866817 GWNOLPRZICUPEA-QMMMGPOBSA-N 458.926 5.016 50 10 JKGE Clc1cc(Cl)cc(CC[C@@H](Br)c2ccc(I)cc2)c1 2341182903 WHAKOXKCHATXSS-OAHLLOKOSA-N 469.975 6.667 50 10 JKGE C[C@@H](Cl)CN(Cc1ccc(I)c(Br)c1)C1CCCC1 2349830570 QQUAUFGMDFASJK-LLVKDONJSA-N 456.593 5.426 50 10 JKGE COc1c(Br)cc(C)c([C@@H](Br)c2c(Cl)cnn2C)c1Br 2365182722 CZJGCQWSFDKWJJ-SNVBAGLBSA-N 487.417 5.400 50 10 JKGE Cc1ccc([C@@H](Br)c2c(C)cc(Br)c(F)c2Br)cc1C 2365215085 GYKKYSWQTFEGRT-CQSZACIVSA-N 464.998 6.760 50 10 JKGE CC(C)CCOc1ccc(C(=O)NNC(=O)c2cc(Br)ccc2OCCC(C)C)cc1 14650799 LILIZNONWFJUGN-UHFFFAOYSA-N 491.426 5.374 50 10 JKGE Cc1cccc(N[C@@H](C)C(=O)N/N=C/c2ccccc2OCc2ccc(Br)cc2)c1 27528160 OCXGHTKIPMJDTP-CMPFEXHJSA-N 466.379 5.287 50 10 JKGE CC(C)c1ccc(OCC(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@@H]3c2cccc(Cl)c2)cc1 38651245 ZKZXIRAAOUWPNF-AREMUKBSSA-N 474.944 5.666 50 10 JKGE Cc1ccccc1C(=O)Oc1ccc2c(c1)OC(N)=C(C#N)[C@@H]2c1ccc(Cl)c(Cl)c1 38655664 DYFDFJYKYJKFJR-JOCHJYFZSA-N 451.309 5.739 50 10 JKGE CCCOc1cccc(C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@H]3c2c(Cl)cccc2Cl)c1 38679926 TYTGQFHLNFKOMF-QHCPKHFHSA-N 495.362 6.220 50 10 JKGE O=C(CCCc1c(-c2ccc3ccccc3n2)[nH]c2ccc(F)cc12)NNC(=O)Cc1ccccc1 39867637 IYKLFVJPABIBLE-UHFFFAOYSA-N 480.543 5.235 50 10 JKGE CCCCCOc1ccc(C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@H]3c2cccc([N+](=O)[O-])c2)cc1 40527371 KRAPMQBFXCDYFG-SANMLTNESA-N 499.523 5.601 50 10 JKGE Cc1c(C(=O)N2CCCCC2)oc2c1/C(=N/NC(=O)C(c1ccccc1)c1ccccc1)CCC2 40815504 LDVLBTXZQDXTET-JJKYIXSRSA-N 469.585 5.203 50 10 JKGE Cc1cc(O[C@@H](C)C(=O)N/N=C/c2ccc(OCc3ccccc3Cl)cc2)cc(C)c1Cl 40960301 AHDFQQKUBSAONQ-BFWPAWLWSA-N 471.384 6.107 50 10 JKGE CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(Cl)c(Cl)c2)cc(Br)c1OCC 59117525 PYJKDVKFMJXMNT-NTUHNPAUSA-N 484.177 6.099 50 10 JKGE Cc1ccc(-c2ccccc2)n1-c1ccc(C(=O)N/N=C/c2ccc(-c3ccccc3C(=O)O)o2)cc1 59304374 LWMXJCSTUDNVTK-ZCTHSVRISA-N 489.531 6.175 50 10 JKGE COc1cc(/C=C(/C#N)c2nc3ccccc3n2C)ccc1OCC(=O)Nc1c(C)cc(C)cc1C 95949631 KPRYXEMTKWOKHA-HMAPJEAMSA-N 480.568 5.589 50 10 JKGE CC1=CCCC(C)(C)[C@@H]1/C=C/C(C)=C\C[P+](c1ccccc1)(c1ccccc1)c1ccccc1 97945777 LLUROCTWOJDHOX-CBXVUQMBSA-N 465.641 7.866 50 10 JKGE Fc1cc(Br)cc(F)c1[C@H](Cl)c1cc(Br)c(Br)s1 128125769 OQKSXDMXDOMCPV-SNVBAGLBSA-N 481.381 6.642 50 10 JKGE Cc1cc(Br)c([C@H](Br)c2c(F)cccc2F)cc1Br 128834260 CXUFNNBNQGANBM-AWEZNQCLSA-N 454.934 6.283 50 10 JKGE COc1cc(Br)ccc1[C@H](Br)c1cc(Br)c(C)cc1OC 160785727 DNMPFZZLGXJFRB-INIZCTEOSA-N 479.006 6.022 50 10 JKGE CCOc1ccccc1[C@H]1C(C#N)=C(N)Oc2cc(OC(=O)/C=C\c3ccc(C(C)(C)C)cc3)ccc21 205642275 LDXBBFJNBIBWJS-VPQROWECSA-N 494.591 6.220 50 10 JKGE CCCOc1ccccc1/C=C(/C#N)C(=O)Nc1sc2c(c1C(=O)OCC)CC[C@H](C)C2 206982105 ITSBGQCSIWEZIV-IYWFSZBXSA-N 452.576 5.384 50 10 JKGE Cc1cc(N/C=C(/C#N)C(=O)Nc2ccc(I)cc2C)ccc1Br 217254304 OIELACKHIBFNPL-RAXLEYEMSA-N 496.146 5.129 50 10 JKGE COc1ccc([C@H](Br)c2cccc(Br)c2Cl)cc1Br 228451684 CJKWCEXTTNWILC-ZDUSSCGKSA-N 469.398 6.358 50 10 JKGE CCOc1ccc([C@H](Cl)c2ccc(F)cc2I)cc1Br 233803128 QIPNZPOHNIXLFO-HNNXBMFYSA-N 469.519 5.920 50 10 JKGE CCc1ccc([C@H](Br)c2cc(Cl)ccc2I)cc1CC 234185279 NQCRECWNLGMJHI-KRWDZBQOSA-N 463.584 6.554 50 10 JKGE Cl[C@@H](c1cc(Br)cc(Br)c1)c1csc2c(Br)cccc12 236030605 XZRRFQHDQPNKJL-AWEZNQCLSA-N 495.461 7.517 50 10 JKGE Fc1cc(Br)c(Cl)cc1[C@@H](Br)C(C(F)(F)F)C(F)(F)F 236224296 YWXOVCAHRPSGHT-SSDOTTSWSA-N 452.389 6.418 50 10 JKGE CC[C@H](C)c1ccc(-c2cc(C(=O)NN=Cc3ccc(OCC(C)C)cc3)c3ccccc3n2)cc1 252628240 SLMYABQFSNCART-QFIPXVFZSA-N 479.624 7.214 50 10 JKGE O=C(CSc1nnc(SCc2cccc3ccccc23)s1)NN=Cc1c[nH]c2ccccc12 254384906 ZRVMZPVOANAZBN-UHFFFAOYSA-N 489.651 5.707 50 10 JKGE C[C@@]12CC[C@@H](C/C1=N\OC(=O)Cc1coc3ccc4ccccc4c13)[C@]2(C)CBr 256020087 WNDKBCXFLGDUGC-VSAVLKJWSA-N 454.364 6.249 50 10 JKGE Cc1ccccc1NC(=O)[C@@]12CC[C@@](C(Br)Br)([C@H]1Br)C2(C)C 261366767 MGZZSDJEQNKCHX-OAUYIBNBSA-N 494.065 5.619 50 10 JKGE C[C@](CI)(OCC1CCCCCC1)c1ccccc1Br 312386012 KHZOUOXHNIOEJK-QGZVFWFLSA-N 451.186 6.086 50 10 JKGE Fc1cc2c(cc1I)nc(CCl)n2C[C@@H]1CCCCN1Cc1ccccc1 379611612 RUPPJPSBBDWVIE-INIZCTEOSA-N 497.783 5.574 50 10 JKGE Fc1cc2c(cc1Br)nc(CCl)n2C[C@@H]1CCCCN1Cc1ccccc1 379614867 ZTDSMHWSUCXJLK-INIZCTEOSA-N 450.783 5.731 50 10 JKGE Fc1cc2c(cc1I)nc(CCl)n2C[C@H]1CCCN(Cc2ccccc2)C1 380017972 STIHJYIQWMCJPT-INIZCTEOSA-N 497.783 5.431 50 10 JKGE C[C@H](Br)C[C@@H]1CCCCCN1C(=O)c1cc(Br)sc1Br 380082917 BEEYQOXDLCYIGO-UWVGGRQHSA-N 488.083 5.831 50 10 JKGE Cc1ccc(Br)cc1[C@H]1CN(C(=O)OC(C)(C)C)C[C@H]1CI 382721044 NLJFPYWRVKRUAG-DOMZBBRYSA-N 480.184 5.143 50 10 JKGE C[C@H]1CN(Cc2ccccc2)CCCN1c1cccc(Br)c1CBr 394703199 KGNJWCAJTOFVQD-INIZCTEOSA-N 452.234 5.445 50 10 JKGE CC(=O)O[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)C1=O 498049381 RCRNHNQUADUPMA-GDJJCEENSA-N 460.731 6.450 50 10 JKGE CC(C)(C)OC(=O)Nc1ccc([C@H]2CN(CCO[Si](C)(C)C(C)(C)C)CCCO2)cc1 616599184 RFJBFKJHVLFRDZ-OAQYLSRUSA-N 450.696 5.819 50 10 JKGE Clc1ccc(Br)c(Oc2ccc(CBr)cc2Br)c1 708120335 VNOYBIKTGANKMP-UHFFFAOYSA-N 455.371 6.552 50 10 JKGE C=CCc1cc(C=NNC(=O)CC[C@H](O)c2ccccc2)cc(OCC)c1OCc1ccccc1C#N 725411913 XLONIPMJFRDENG-MHZLTWQESA-N 497.595 5.228 50 10 JKGE CCOc1cc(/C=C\C(=O)Cl)cc(Br)c1OC(=O)c1cccc2ccccc12 1081470390 DTXODOGLZCFJEE-KHPPLWFESA-N 459.723 5.999 50 10 JKGE Cc1ccc(NC(=O)NN=Cc2cc(Br)c(Sc3ccc(Cl)cc3)o2)cc1C 1084192843 YGXKZOMUOAQREM-UHFFFAOYSA-N 478.799 6.619 50 10 JKGE Cc1cc(C=NNC(=O)c2cc3ccccc3o2)c(C)n1-c1ccc(OCc2ccccc2)cc1 1084205574 KOUWBEPVSKDTIM-UHFFFAOYSA-N 463.537 6.183 50 10 JKGE CCOc1cc(C=NNC(=O)c2ccc(C(C)(C)C)cc2)ccc1OCc1ccccc1Cl 1084458395 CWXLUYJIIQQXNW-UHFFFAOYSA-N 464.993 6.379 50 10 JKGE COc1cc(C=NNC(=O)c2cc(-c3ccccc3)nc3ccccc23)cc(Br)c1OC 1084534369 DRDMBKGQGQBLMJ-UHFFFAOYSA-N 490.357 5.445 50 10 JKGE Cc1ccc(C)c(NC(=O)c2oc3c(c2C)C(=NNC(=O)c2ccccc2Br)CCC3)c1 1772744035 OZEPGVVMQMFPDK-UHFFFAOYSA-N 494.389 5.690 50 10 JKGE Cc1c(C(=O)N(Cc2ccccc2)Cc2ccccc2)oc2c1C(=NNC(=O)c1cccnc1)CCC2 1772746720 YZIMZKLFLORLOE-UHFFFAOYSA-N 492.579 5.296 50 10 JKGE CCOc1c(Br)cc(C=NNC(=O)COc2ccccc2-c2ccccc2)cc1OC 1772754377 SEGQJFGSSSTNIF-UHFFFAOYSA-N 483.362 5.053 50 10 JKGE CC(C)c1ccc(C=NNC(=O)COc2ccc(-c3ccccc3)cc2Br)cc1 1772754719 RBLFJCGORLLKKX-UHFFFAOYSA-N 451.364 5.769 50 10 JKGE CCCCc1cc(C(=O)Nc2ccc(SC#N)cc2)nn1-c1ccc(Br)cc1 1862329364 KYNZBGGKWLDULI-UHFFFAOYSA-N 455.381 5.803 50 10 JKGE N#CC1=C(N)Oc2c(c(C(F)(F)F)nn2Cc2ccc(Cl)cc2)[C@H]1c1ccccc1Cl 1865685534 KALLPORDOYSBMJ-INIZCTEOSA-N 465.262 5.475 50 10 JKGE CCCc1nn(-c2ccc(Cl)c(Cl)c2)c2c1[C@H](c1ccc(F)cc1F)C(C#N)=C(N)O2 1865702025 KVWLTFAWOOHOHV-LJQANCHMSA-N 461.299 5.628 50 10 JKGE CC(C)Oc1ccccc1[C@@H]1C(C#N)=C(N)Oc2c1c(-c1ccccc1)nn2Cc1cccc(F)c1 1865704614 AAFFFWJEYMGHQA-RUZDIDTESA-N 480.543 5.743 50 10 JKGE COc1ccc([C@@H]2C(C#N)=C(N)Oc3c2c(-c2ccccc2)nn3Cc2cccc(Cl)c2)cc1OC 1865706797 FUQBJACMYZSHQK-XMMPIXPASA-N 498.970 5.487 50 10 JKGE N#CSc1ccc(NC(=O)[C@H](NC(=O)CCc2csc(-c3ccccn3)n2)c2ccccc2)cc1 1867057713 USMYRMXGAACDIA-XMMPIXPASA-N 499.621 5.207 50 10 JKGE COc1ccc(OC/C(O)=C(\C#N)c2nc(-c3ccccc3Cl)cs2)c(C(C)(C)C)c1 1872746307 BQQIZQYUXVYMRC-FXBPSFAMSA-N 454.979 6.641 50 10 JKGE CCOC(=O)Oc1ccc(/C(O)=C(\C#N)c2nc(-c3ccc(OC)c(C)c3C)cs2)cc1 1872753618 GINDNZMKXJSFKF-QOCHGBHMSA-N 450.516 5.921 50 10 JKGE COc1c(Cl)cc(Cl)cc1-c1csc(/C(C#N)=C(\O)[C@@H]2CC(=O)N(C(C)(C)C)C2)n1 1872754557 YROGNUCWFLLYGI-GMVXBXSFSA-N 466.390 5.565 50 10 JKGE COc1cc(OC)c(OC)cc1/C=C(\C#N)c1nc(-c2cc(C(C)(C)C)ccc2OC)cs1 1872793270 RDRITCRHTIHSFP-LICLKQGHSA-N 464.587 6.206 50 10 JKGE COc1cc(-c2csc(/C(C#N)=C/c3ccc(OC(C)C)c(OC)c3)n2)c(OC)cc1Cl 1872793461 BAJJQUZASNJQKG-LZYBPNLTSA-N 470.978 6.341 50 10 JKGE FC(F)(F)[C@H]1OC2([C@@H](Br)c3cc(Br)c(Br)s3)CC1C2 1878419580 UQZXBGRLOABXED-CRLSURHYSA-N 484.957 5.819 50 10 JKGE Cc1nsc(Br)c1[C@@H](Br)c1cc(Br)c2c(c1)CCCO2 1912933144 RILQYSPROAFRJD-LBPRGKRZSA-N 482.035 5.786 50 10 JKGE Cc1sc(Br)cc1[C@H](Br)[C@@H](C)c1ccncc1Br 1924066455 IDFJVMOADXLSJC-WPPNPWJKSA-N 454.025 6.216 50 10 JKGE Fc1cccc(C[C@H](Cl)c2c(Br)sc(Br)c2Br)c1 1924586115 UHTMJCQBVNXPOW-QMMMGPOBSA-N 477.418 6.697 50 10 JKGE Cc1ccc([C@@H](Cl)c2c(Br)sc(Br)c2Br)cc1Cl 1924592537 ZYAULVVAMUWGCK-SNVBAGLBSA-N 493.873 7.326 50 10 JKGE Cl[C@H](c1c(Br)sc(Br)c1Br)[C@@H]1CC[C@H]2C[C@H]2C1 1924605369 PZPUOCMOBXXHGB-XIVUIJJLSA-N 463.460 6.752 50 10 JKGE C[C@H](C[C@H](Cl)c1c(Br)sc(Br)c1Br)C(F)(F)F 1924614129 WQUAUDSQPAPQFI-DMTCNVIQSA-N 479.381 6.904 50 10 JKGE Cl[C@@H](c1c(Br)sc(Br)c1Br)[C@H]1CCCOCC1 1924615890 IALHIQXQZPVSOO-IMTBSYHQSA-N 467.448 6.132 50 10 JKGE Clc1cccc(Cl)c1[C@H](Br)c1c(Cl)sc(Br)c1Cl 1925586579 AUNQRFOVWHFXIN-QMMMGPOBSA-N 469.840 7.609 50 10 JKGE Cc1ccnc(COc2c(F)cc(Br)cc2CBr)c1Br 1927025239 HHIOFTRCCJYYPS-UHFFFAOYSA-N 467.958 5.528 50 10 JKGE CC[C@@H]([C@@H](Br)c1sc(Br)c(C)c1Br)C(C)(F)F 2004478420 JVMDWTVFAOIVNP-POYBYMJQSA-N 455.000 6.699 50 10 JKGE Fc1ccc([C@@H](Br)c2cc(I)sn2)c(F)c1Cl 2007647324 IRPDUEREANIPSH-MRVPVSSYSA-N 450.473 5.164 50 10 JKGE CCc1sc(Br)cc1[C@H](Cl)c1cc(Br)cc(Br)c1 2030222951 SCWOBXAWDGBIOU-CYBMUJFWSA-N 473.455 6.926 50 10 JKGE COc1sc([C@@H](Br)c2cccc(C)c2Br)cc1Br 2034630139 TZQQQWSQQVSSAD-LBPRGKRZSA-N 455.009 6.074 50 10 JKGE Fc1cc(Br)cc(N(Cc2ccccc2)CC2CCCCC2)c1CBr 2051130930 CAMBZIWDNRAEGN-UHFFFAOYSA-N 469.236 7.070 50 10 JKGE Clc1c(Br)sc(Br)c1[C@@H](Br)C1C[C@@H]2CC[C@H](C1)O2 2060983514 VTFLXSMSPZADIL-AUYINJEUSA-N 479.459 6.320 50 10 JKGE FC(F)([C@H]1CCOC1)[C@H](Br)c1c(Br)sc(Br)c1Cl 2065536777 USXCHZODQOVABX-MHTLYPKNSA-N 489.401 6.034 50 10 JKGE Fc1cc(Br)cc(CBr)c1OC[C@]1(Br)CC1(F)F 2082492404 JBQUKCLMVUWLMP-SNVBAGLBSA-N 452.890 5.035 50 10 JKGE CC(C)(CO[C@@H](CI)c1cccc(Br)c1)C(F)(F)F 2094246261 IPPWZHYCEZXKBV-NSHDSACASA-N 451.064 5.530 50 10 JKGE O=S(=O)(c1ccc(Br)c(CCl)c1)N(CCC(F)(F)F)Cc1ccccc1 2095875422 JUFWSBXZVKYKRH-UHFFFAOYSA-N 470.738 5.331 50 10 JKGE C[C@@H](Cl)c1nc2cc(Br)c(Cl)cc2n1[C@H]1CCN(Cc2ccccc2)C1 2103809399 GJLDVZZCJGSVCD-HIFRSBDPSA-N 453.211 6.199 50 10 JKGE Clc1cc(CC(CBr)(CBr)c2cccc(Br)c2)sn1 2110935897 ZCYLDZXLOXBMGW-UHFFFAOYSA-N 488.470 5.829 50 10 JKGE C[C@@H](CN(C)Cc1ccccc1)n1c(CCCl)nc2cc(Cl)c(Br)cc21 2112700290 VBSVYRRURFUWPW-AWEZNQCLSA-N 455.227 5.927 50 10 JKGE CCc1nc([C@H](Br)c2ccc(C)c(Br)c2C)c(Br)s1 2113185452 QOEZHJJLBLQCRZ-GFCCVEGCSA-N 468.052 6.332 50 10 JKGE BrC[C@@]1(Cc2cc(Br)ccc2Br)CCO[C@H]1C1CC1 2118525877 YVQFNXHMBLTJBM-GJZGRUSLSA-N 453.012 5.334 50 10 JKGE FC(F)(C1CCCCC1)[C@@H](Cl)c1c(Br)sc(Br)c1Cl 2128818911 WCQUFEPUQOXYFK-VIFPVBQESA-N 457.005 7.422 50 10 JKGE Cc1cc(Br)c(C)c([C@H](Br)[C@H]2CCOC[C@H]2C)c1Br 2136380912 XDEXKHREZZVCRK-BPYAMOTFSA-N 455.028 5.937 50 10 JKGE O=C(NC[C@H]1CCCC[C@@H]1CBr)c1cccc(Br)c1Br 2148770264 NUCSEFQORGAGOD-GHMZBOCLSA-N 468.027 5.143 50 10 JKGE CC12COC(CC(CBr)(CBr)c3cccc(Br)c3)(C1)C2 2150313585 CANXRKKZWYOWLS-UHFFFAOYSA-N 467.039 5.436 50 10 JKGE O=C(N[C@H](CCBr)C1CCCC1)c1c(Br)cccc1Br 2150491302 NCHZHWWFHGRHMJ-CYBMUJFWSA-N 468.027 5.285 50 10 JKGE C[C@]12CN(Cc3ccccc3)C[C@]1(C)CN(c1c(CCl)ccc(Br)c1Cl)C2 2154374679 ZCJRKGDYJQSXBO-FGZHOGPDSA-N 468.266 6.190 50 10 JKGE C[C@@H]1CN(C(=O)c2ccc(Br)cc2Br)CC[C@@H]1CCBr 2172471104 BZZBSUZNYDSQRY-MNOVXSKESA-N 468.027 5.095 50 10 JKGE Clc1cc(Cl)cc(CO[C@H](CI)c2ccc(Br)cc2)c1 2197895876 HRPGCKRUSDVEPR-OAHLLOKOSA-N 485.974 6.449 50 10 JKGE Cc1cc(Cl)c(Br)cc1[C@H](Br)Cc1ccc(Cl)c(Cl)c1 2202351503 JEXNNZGTQPXQLY-LLVKDONJSA-N 457.420 7.396 50 10 JKGE Cc1c(Br)ccc([C@H](Br)C[C@@H](C(F)F)C(C)(C)C)c1Br 2203702958 HBSNSBXQGDIIDL-CMPLNLGQSA-N 477.025 7.274 50 10 JKGE FC1(F)CC2(C1)CC(CBr)(Cc1ccc(I)c(Cl)c1)C2 2208033141 NAKKMOSFZCMMIJ-UHFFFAOYSA-N 475.542 6.078 50 10 JKGE Cc1ccc([C@H](Br)c2cc(C)c(Br)s2)cc1I 2212992765 SFWLCBFOECLNDD-LBPRGKRZSA-N 486.010 6.216 50 10 JKGE F[C@@H]([C@@H](Br)c1c(Br)cc(Cl)c(Cl)c1Cl)C(F)(F)F 2217608832 SHYPFBBRNFTJEZ-XNCJUZBTSA-N 453.282 6.746 50 10 JKGE CCCn1nc(Br)cc1C[C@@H](Br)c1ccccc1Br 2224286483 CSBOUPSDLHOUCG-CYBMUJFWSA-N 451.000 5.497 50 10 JKGE Fc1cc(Br)c(Br)cc1[C@@H](Br)C12CCCC1CCC2 2225616418 FUFPRZTUZLMYBW-JBLLZRQOSA-N 455.003 6.757 50 10 JKGE Fc1cc(Br)cc([C@@H](Br)Cc2ccc(Br)cc2Cl)c1 2229149910 IGEBWHIPZRWLPM-ZDUSSCGKSA-N 471.389 6.683 50 10 JKGE Brc1c([C@@H](Br)c2ccc(I)cc2)ccc2c1CCO2 2229742707 VYZRDCUGEHUUIM-AWEZNQCLSA-N 493.964 5.473 50 10 JKGE COc1ccc([C@@H](Br)c2sc(Br)c(C)c2C)c(Br)c1 2232080390 WZHVTHPAEUMBFS-GFCCVEGCSA-N 469.036 6.383 50 10 JKGE CCc1nn(C)c([C@@H](Br)c2ccc(Br)cc2Br)c1Cl 2232175971 UHONTNRIOUSERQ-NSHDSACASA-N 471.418 5.645 50 10 JKGE C[C@@H]1CN(Cc2ccccc2)CC[C@@H]1n1c(CCl)nc2c(F)cc(Br)cc21 2232931583 WKWQFGVILUIPFA-KDOFPFPSSA-N 450.783 5.760 50 10 JKGE Fc1cc(Br)c(Br)cc1[C@H](Br)[C@@H]1CC[C@H]2[C@@H](C1)C2(F)F 2233977046 SJRBWZBLZDVHOD-GURMABIDSA-N 476.956 6.468 50 10 JKGE Clc1cc(CN2C[C@@H]3CCCC[C@]3(CBr)C2)ccc1I 2239170844 DGEJRDYNUYOGFD-BBRMVZONSA-N 468.604 5.332 50 10 JKGE FC(F)(F)Oc1ccc(Cl)cc1[C@H](Br)c1nscc1Br 2239620716 RETTUZDBOCNGCI-VIFPVBQESA-N 451.489 5.942 50 10 JKGE Brc1cc(Br)c(OC[C@@H]2C[C@@H]2Br)c(CNC2CCC2)c1 2240250245 SIFWGPCQVSCKSM-GWCFXTLKSA-N 468.027 5.016 50 10 JKGE COc1cc(F)c(F)cc1[C@@H](Br)c1cc(C)ccc1I 2240998130 XSAFSEUHISMFKK-HNNXBMFYSA-N 453.064 5.371 50 10 JKGE Cc1sc([C@H](Br)c2cc(F)c(Br)cc2Cl)c(C)c1Br 2267749780 OLYXUNHZJXAISQ-GFCCVEGCSA-N 491.445 7.167 50 10 JKGE C=CC[C@]1(CBr)CCN(Cc2ccc(I)c(Cl)c2)C1 2272137068 PLXCXKJJWUKAAQ-OAHLLOKOSA-N 454.577 5.108 50 10 JKGE CCc1ccsc1[C@H](Br)c1c(F)cc(Br)c(F)c1Br 2272737262 BICJZQCMHGASFY-LLVKDONJSA-N 474.990 6.598 50 10 JKGE COc1ccc([C@@H](Br)c2nn(C)c(Cl)c2Cl)c(Br)c1Cl 2283561384 MBSKLJPOYMLAPV-MRVPVSSYSA-N 463.384 5.636 50 10 JKGE COc1ccc(Br)c2c1nc(CCCl)n2[C@H](C)CN(C)Cc1ccccc1 2286081526 UKQSQYGKVOQIMJ-OAHLLOKOSA-N 450.808 5.282 50 10 JKGE CC(C)(C)C1CC(CBr)(NC(=O)c2scc(Br)c2Br)C1 2289830533 YPAZCJSLTADVOH-UHFFFAOYSA-N 488.083 5.593 50 10 JKGE Cc1ccc(NC(=O)C(C#N)=C2S[C@H](Cc3ccc(Cl)cc3)C(=O)N2c2ccc(F)cc2)cc1 2293038928 JCBPSGINRFXOJK-HSZRJFAPSA-N 491.975 5.853 50 10 JKGE COc1cc(C=C(C#N)c2ccc(F)cc2)c(Br)cc1OCc1ccc(F)cc1 2293142416 XWMZYBPHSBXEMH-UHFFFAOYSA-N 456.286 6.379 50 10 JKGE CCOc1cc(C=C(C#N)C(=O)Nc2cc(Cl)ccc2Cl)cc(Br)c1O 2294146972 NPSWAJVSPKOGTM-UHFFFAOYSA-N 456.123 5.406 50 10 JKGE Cc1cc(F)cc(C)c1[C@H](Br)Cc1cc(Br)cc(Br)c1 2295275251 SPOQBHZQSGDWAE-OAHLLOKOSA-N 464.998 6.646 50 10 JKGE Cc1ccc(CBr)cc1NC(=O)c1ccc(Cl)c(I)c1 2296120602 ZKCPIIHSVDWEQW-UHFFFAOYSA-N 464.528 5.400 50 10 JKGE ClCc1cc(Cl)c(OCc2ccc(Br)cc2Br)c(Cl)c1 2296309451 VYJAPMWAXYZJBT-UHFFFAOYSA-N 459.392 6.836 50 10 JKGE Brc1cc(OCc2ccccc2)ccc1[C@H](Br)C1CC2(COC2)C1 2299491855 AUXZOYUAFSJOIQ-LJQANCHMSA-N 452.186 5.891 50 10 JKGE CC[C@H](CC(C)C)[C@@H](Br)c1ccc(OCc2ccccc2)cc1Br 2299534212 BARJMEUKIVCZKQ-DYESRHJHSA-N 454.246 7.536 50 10 JKGE C[C@@H]1C[C@@H](C[C@H](Br)c2cc(Br)ccc2OCc2ccccc2)CO1 2299534801 HVILYXJRGJEZJI-ALKREAHSSA-N 454.202 6.279 50 10 JKGE FC(F)CC1([C@@H](Br)c2sc(Cl)cc2I)CCC1 2300956469 AIVVXJLTQDJYIH-JTQLQIEISA-N 455.533 6.268 50 10 JKGE COc1ccc(NC(=O)C(C#N)=Cc2cc(Br)ccc2OCc2ccc(F)cc2)cc1 2313541095 RIMIHINHILHGTI-UHFFFAOYSA-N 481.321 5.721 50 10 JKGE CCOc1cc(C=C(C#N)C(=O)N(C)C)cc(Cl)c1OCc1ccc(Cl)cc1Cl 2313568624 VFRFKCMDJBQXTK-UHFFFAOYSA-N 453.753 5.620 50 10 JKGE Cc1c(Cl)cccc1[C@@H](Br)c1ccc(OCc2ccccc2)cc1Br 2314448124 FEZDJAWPGVGPCP-OAQYLSRUSA-N 480.627 7.474 50 10 JKGE N#CC(=Cc1ccc(-c2ccc(Cl)c(Cl)c2)o1)c1nc(-c2cccc3ccccc23)cs1 2314456882 GFTFEZSADWANOG-UHFFFAOYSA-N 473.384 8.594 50 10 JKGE CCOC(=O)c1c(NC(=O)C(C#N)=Cc2ccc(-c3ccccc3F)o2)sc2c1CC[C@H](C)C2 2314571807 MINYCYDXONVDSI-HNNXBMFYSA-N 478.545 5.994 50 10 JKGE CCc1ccc(N2C(=O)[C@@H](Cc3ccccc3C)SC2=C(C#N)C(=O)Nc2ccc(C)cc2)cc1 2314592009 JOVWXLPXLPQYOD-AREMUKBSSA-N 481.621 5.931 50 10 JKGE CCCCCOc1ccc(C=C2C(=O)N(Cc3ccc(OC)cc3)C(=O)C(C#N)=C2C)cc1OCC 2314616890 MEMKVCKOEJBXJL-UHFFFAOYSA-N 488.584 5.455 50 10 JKGE COc1cc(C=C(C#N)c2ccc(Cl)cc2)ccc1OC(=O)C(c1ccccc1)c1ccccc1 2314720666 YGDOBQHFONCHDN-UHFFFAOYSA-N 479.963 7.150 50 10 JKGE COc1cc(F)c(Br)cc1[C@@H](Br)c1cnsc1Br 2315625001 HXVORLQJVSCKOW-SNVBAGLBSA-N 459.960 5.300 50 10 JKGE Cc1cc(Br)c(F)c(Br)c1[C@H](Cl)c1csnc1Br 2317402724 GZNXVIAZCNHOQL-SECBINFHSA-N 478.406 6.206 50 10 JKGE COc1cccc(-c2csc(C(C#N)=C(O)[C@@H](C)Oc3ccc(Cl)cc3Br)n2)c1 2331246723 PUKXKHUBAXVBBR-GFCCVEGCSA-N 491.794 6.495 50 10 JKGE CC(C)(C)c1ccc(C(=O)NCC(O)=C(C#N)c2nc(-c3ccccc3Cl)cs2)cc1 2331265821 FGOFDZCXRMWMHN-UHFFFAOYSA-N 451.979 5.984 50 10 JKGE N#CC(=C(O)c1cccc(Oc2ccccc2)c1)c1nc(-c2ccc(Cl)c(Cl)c2)cs1 2331311612 CSXOTOIXOQJDJH-UHFFFAOYSA-N 465.361 7.859 50 10 JKGE CCCCCCCOc1ccc(-c2csc(C(C#N)=C(O)[C@H]3CC(=O)N(C(C)C)C3)n2)cc1 2331345368 HBBKKGCBHYYUGF-FQEVSTJZSA-N 467.635 6.209 50 10 JKGE CCOc1ccc(CCC(O)=C(C#N)c2nc(-c3cc(C(C)(C)C)ccc3OC)cs2)cc1OC 2331351100 QWGBWHROYONAMN-UHFFFAOYSA-N 492.641 6.949 50 10 JKGE CCOc1ccc(OCC)c(-c2csc(C(C#N)=C(O)c3ccc(N(C)C)c([N+](=O)[O-])c3)n2)c1 2331376740 OMAYWYCKCLZOJZ-UHFFFAOYSA-N 480.546 5.532 50 10 JKGE COc1cc(OC)c(-c2csc(C(C#N)=C(O)Cc3ccc(Cl)c(Cl)c3)n2)cc1Cl 2331377658 ZBPLKZCLVIYQDC-UHFFFAOYSA-N 481.788 6.823 50 10 JKGE Cc1ccc(-c2csc(C(C#N)=Cc3cc(Br)cc(Br)c3O)n2)c(C)c1 2331443482 URRUCCAZTSONKZ-UHFFFAOYSA-N 490.220 6.722 50 10 JKGE Fc1cc(Br)c(F)c(Br)c1[C@H](Br)C[C@H]1CC[C@@H]2C[C@@H]21 2334720096 QASPEBGGAFACDA-LURQLKTLSA-N 458.966 6.362 50 10 JKGE Fc1cc(Br)c(F)c(Br)c1[C@@H](Br)[C@@H]1[C@H]2COCC[C@H]21 2334739599 JNTUURZZKFBXAC-IZGLABOVSA-N 460.938 5.208 50 10 JKGE Cc1ccc(C[C@@H](Br)c2cc(Br)ccc2OCc2ccccc2)cc1C 2336074435 GDOCZTOXXOKAJH-JOCHJYFZSA-N 474.236 7.324 50 10 JKGE COc1c(Br)cc(C)c([C@H](Br)CCC(F)(F)F)c1Br 2339650125 BZUNGCXSHRUNCD-SSDOTTSWSA-N 468.933 6.307 50 10 JKGE COc1c(Br)cc(C)c([C@@H](Br)C2CC(F)(F)C2)c1Br 2339691950 SMCNBQJNMPJTEH-JTQLQIEISA-N 462.954 6.010 50 10 JKGE Cc1cc(Br)c(CBr)c(-n2cc(C(C)C)nc2Br)c1 2344652565 DTJHDVQDZALWPL-UHFFFAOYSA-N 451.000 5.724 50 10 JKGE CO[C@@H]1CCC[C@@H]([C@H](Br)c2c(Cl)cc(Br)c(F)c2Br)C1 2362232968 ULWVAHLWGKHZKZ-RWYTXXIDSA-N 493.436 6.645 50 10 JKGE COc1cccc([C@H](Br)CCc2ccc(Cl)c(I)c2)c1 2362371141 NPVOZTVEJMSHOY-CQSZACIVSA-N 465.556 6.022 50 10 JKGE Cc1cc(Br)c(F)c(Br)c1[C@@H](Br)CC[C@@H]1CCCCO1 2365178029 GRYXWDIQKRZQLP-QWRGUYRKSA-N 473.018 6.444 50 10 JKGE Cc1cccc(C)c1[C@H](Br)c1c(C)cc(Br)c(F)c1Br 2365180943 UHWWYZWGLRGWKK-AWEZNQCLSA-N 464.998 6.760 50 10 JKGE Cc1cc(Br)c(F)c(Br)c1[C@H](Br)[C@@]12CCCC[C@H]1CC2 2365195581 CVXHQRDILYXKCD-CIISACIHSA-N 469.030 7.066 50 10 JKGE CC[C@H](Oc1ccc(-c2ccccc2)cc1)C(=O)NNC(=O)[C@H](C)Oc1ccc2ccccc2c1 14768975 JQMSUKPYPZUCIT-DCFHFQCYSA-N 468.553 5.279 50 10 JKGE O=C(c1ccc(Oc2ccccc2)cc1)[C@H](Br)[C@@H](Br)c1ccccc1 33353954 YPFAMAILJHNSEM-VQTJNVASSA-N 460.165 6.561 50 10 JKGE COc1cccc2cc(-c3nn(-c4ccccc4)cc3/C=C(/C#N)c3nc4ccccc4s3)oc12 33515859 GDSTURYEUKLHMK-RGEXLXHISA-N 474.545 6.968 50 10 JKGE CCOc1cc(/C=C(/C#N)C(=O)Nc2sc3c(c2C#N)CCCC3)ccc1OCc1cccc(C)c1 34799188 LCIPKIMKRREIQY-HMAPJEAMSA-N 497.620 6.330 50 10 JKGE C/C(=N/NC(=O)CSc1cc(C)c(Br)cc1C)c1ccc(C2CCCCC2)cc1 34903341 OYHMPMPJWATLTG-ITYLOYPMSA-N 473.480 6.746 50 10 JKGE CCCCCCOc1ccc(-c2nn(-c3ccccc3)cc2/C=C2/C(=O)N(C)C(=O)C(C#N)=C2C)cc1 38602887 APPNWLUAWSAODW-NLRVBDNBSA-N 494.595 5.720 50 10 JKGE CCCCOc1cccc(C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@H]3c2ccccc2OCC)c1 38650544 SDRMIRKLIKKLNB-MHZLTWQESA-N 484.552 5.702 50 10 JKGE CCCCCOc1ccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4ccccc4)ccc32)cc1OC 38660215 IIEKPDSTLGVQDA-MHZLTWQESA-N 484.552 5.702 50 10 JKGE CCCOc1cccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)COc4ccccc4Cl)ccc32)c1 38684429 UDGZRFHUIRTAMD-SANMLTNESA-N 490.943 5.331 50 10 JKGE CCOc1cccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)Cc4cccc5ccccc45)ccc32)c1 38684931 YOULGCKNVBRTLN-GDLZYMKVSA-N 476.532 5.605 50 10 JKGE Cc1cccc(NC(=O)/C(C#N)=C/c2c(Oc3cc(C)cc(C)c3)nc3c(C)cccn3c2=O)c1 39993052 UXCLDONRPRNSTG-RCCKNPSSSA-N 464.525 5.266 50 10 JKGE Cc1cccc(NC(=O)c2oc3c(c2C)/C(=N/NC(=O)c2cncc(Br)c2)CCC3)c1C 40822925 RNSZKKWLQCZXCP-TURZUDJPSA-N 495.377 5.085 50 10 JKGE Cc1ccc(OC(=O)c2oc3c(c2C)/C(=N/NC(=O)c2ccc4ccccc4n2)CCC3)cc1 40825924 OYMIPJWJZSLLSB-XHLNEMQHSA-N 453.498 5.134 50 10 JKGE CCCCCCCCCCCCCCCC(=O)OC[C@@H](O)C[C@H](Br)P(=O)(O)O 43197257 HLVKVWDSLLFMSX-RBUKOAKNSA-N 487.412 5.661 50 10 JKGE in-vitro COC(=O)c1cccc(Cn2cc(/C=C(\C#N)C(=O)Nc3cccc(Cl)c3C)c3ccccc32)c1 59254951 BRFQWECTUCZNLU-KGENOOAVSA-N 483.955 5.984 50 10 JKGE CCc1ccc(NC(=O)/C(C#N)=C/c2ccc(OCc3ccc(Br)cc3)c(OC)c2)cc1 59272367 YTISEMJPEVCWQJ-KGENOOAVSA-N 491.385 6.145 50 10 JKGE 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)C3=C[C@H](Cl)[C@@]2(O)C1 72399312 JIXRSUPPSOBQSS-BLSNDTSNSA-N 491.156 7.314 50 10 JKGE in-vitro COc1ccccc1CN(C(=O)CCl)[C@H](C(=O)NC1CCCCCC1)c1ccc(F)cc1Cl 97915028 MMNGFVABQYABTI-DEOSSOPVSA-N 495.422 5.635 50 10 JKGE CC1=C(C#N)C(=O)N(CCCOC(C)C)C(=O)/C1=C/c1ccc(-c2ccc(Cl)cc2Cl)o1 101336273 DJAMHPIMYHBOAH-XDHOZWIPSA-N 473.356 5.661 50 10 JKGE CCCCCCCCCCCCCCCCNc1ncnc(NNC(=O)c2cccnc2)c1[N+](=O)[O-] 101479336 ZJIGCNFGTDBQLY-UHFFFAOYSA-N 499.660 6.430 50 10 JKGE CCCOC(=O)c1ccc(N/C=C(/C#N)c2nc(-c3ccc(Cl)c(Cl)c3)cs2)cc1 102934382 NVTIFPGNTLOVMO-VBKFSLOCSA-N 458.370 6.660 50 10 JKGE CCOC(=O)c1c(N/C=C(\C#N)c2nc(-c3ccc(C)cc3)cs2)sc(C(C)=O)c1C 103639278 QACKJLUTYLKGIR-GZTJUZNOSA-N 451.573 5.844 50 10 JKGE N#C/C(=C\c1ccc(OC(F)(F)[C@H](F)C(F)(F)F)cc1)C(=O)Nc1ccccc1C(F)(F)F 104570897 AFUOBIUGQLGOMS-XLNAKTSKSA-N 482.302 6.123 50 10 JKGE Brc1ccc([C@@H](Br)c2cc(Br)c(Br)s2)s1 130937622 RNAUHBGJHNJAAF-MRVPVSSYSA-N 495.881 6.581 50 10 JKGE COc1cc([C@H](Cl)c2csc(I)c2)c(OC)cc1Br 134283004 SCUYXWWGXPREJV-CYBMUJFWSA-N 473.557 5.461 50 10 JKGE CCc1cc(CC)c([C@@H](Br)c2ccccc2I)c(CC)c1 148096985 RHCJTHCMYUHAOH-IBGZPJMESA-N 457.193 6.463 50 10 JKGE Clc1cc([C@@H](Cl)c2ccc3cc(Br)ccc3c2)sc1Br 159681102 FKBKOLFGRZOECE-AWEZNQCLSA-N 451.010 7.408 50 10 JKGE CCC[C@H](CCBr)CNC(=O)c1cc(Br)sc1Br 227503792 GHMXMTHLISLWEY-MRVPVSSYSA-N 462.045 5.204 50 10 JKGE Clc1cc(Br)ccc1[C@@H](Br)c1cc(Br)c(Cl)s1 227849054 UQUOUGPWICEUHB-SNVBAGLBSA-N 479.846 7.064 50 10 JKGE Fc1cc(Cl)c([C@@H](Br)c2cc(Br)c(Br)s2)cc1F 231306701 BOYVLAXNCGOSQM-SNVBAGLBSA-N 481.381 6.689 50 10 JKGE O=C(CSc1nnc(C23CC4CC(CC(C4)C2)C3)n1-c1ccccc1)NNc1ccc(Cl)cc1 253572547 QHUUTCCKEBGRPH-UHFFFAOYSA-N 494.064 5.624 50 10 JKGE CCCCc1ccc(OCC(=O)NN=Cc2ccc(OC(=O)/C=C\c3ccccc3)c(OC)c2)cc1 254630273 HWZFQPOIWKQBGD-QKOZZINDSA-N 486.568 5.186 50 10 JKGE Cc1cccc(OCC(=O)NN=Cc2cc(N=Nc3cccc4ccccc34)ccc2O)c1C 254789950 DRFQZSNMPTUNRF-UHFFFAOYSA-N 452.514 6.107 50 10 JKGE ClCCc1nc2cc(I)ccc2n1C1CCN(Cc2ccccc2)CC1 301471003 JNPDMNNAEFCPQY-UHFFFAOYSA-N 479.793 5.259 50 10 JKGE C[C@@H](Br)C[C@H]1CCCCN1C(=O)c1cc(Cl)ccc1I 312342871 GVMZMECAGQZUGC-ZYHUDNBSSA-N 470.576 5.113 50 10 JKGE CC1(C)CCC(COc2c(Br)cc(CBr)cc2Br)CC1 312796287 QUCLIHYEXFVEAV-UHFFFAOYSA-N 469.055 6.702 50 10 JKGE C[C@H](Cl)c1nc2cc(I)ccc2n1C[C@@H]1CCCCN1Cc1ccccc1 379610278 PEFFGBQCSWBELH-LPHOPBHVSA-N 493.820 5.995 50 10 JKGE CN(C(=O)OC(C)(C)C)c1ccc([C@H]2CCCCN(CCO[Si](C)(C)C(C)(C)C)C2)cc1 616603947 KTUNIUFYJOWOHF-QFIPXVFZSA-N 462.751 6.649 50 10 JKGE COCc1cc(Br)c([C@H](Br)c2cc(C)ccc2Br)s1 688141611 ZXVUVHDHWJVGAR-CYBMUJFWSA-N 469.036 6.212 50 10 JKGE COCc1csc([C@H](Br)c2cc(Br)c(C)cc2Br)c1 690005015 LQVIZXWCZWSXNE-CQSZACIVSA-N 469.036 6.212 50 10 JKGE O=C(NN=C(CSc1nc2ccccc2[nH]1)c1ccc(-c2ccccc2)cc1)c1ccccc1 1084155567 XXBJPXAVAFRBTC-UHFFFAOYSA-N 462.578 6.156 50 10 JKGE C=CCc1cc(C=NNC(=O)CC[C@H](O)c2ccccc2)ccc1OCc1ccc(Cl)cc1 1084439867 FOVXRAKSJXMSRN-VWLOTQADSA-N 462.977 5.611 50 10 JKGE CCOc1cc(/C=C(/C#N)C(=O)Nc2cc([N+](=O)[O-])ccc2Cl)cc(Br)c1OCC 1084510253 QKZAFKCYPRUULD-QPEQYQDCSA-N 494.729 5.354 50 10 JKGE CCOC(=O)c1ccc(-n2c(C)cc(C=NNC(=O)c3cccc(-n4c(C)ccc4C)c3)c2C)cc1 1084547405 SLYMGHOXCMPDGD-UHFFFAOYSA-N 482.584 5.442 50 10 JKGE O=C(NNc1nc(=O)n(C2CCCCC2)c2c3c(sc12)CCCC3)c1cc2ccccc2o1 1084585294 BMDIBSYDPGEUFM-UHFFFAOYSA-N 462.575 5.345 50 10 JKGE CC(C)(C)OC(=O)N1C[C@@H](CI)[C@@H](c2cc3ccccc3nc2Cl)C1 1614692796 OZJGYSFPHRBYCK-HIFRSBDPSA-N 472.754 5.274 50 10 JKGE Cc1ccc(NC(=O)c2oc3c(c2C)C(=NNC(=O)c2ccc(Cl)cc2Cl)CCC3)cc1 1772746802 AAFWYSKXFOMPBB-UHFFFAOYSA-N 470.356 5.926 50 10 JKGE Cc1cc(C)c(C)c(OCC(=O)NN=Cc2cc(Br)ccc2OCc2ccccc2)c1 1772753595 QZXLYQJNFTUDGI-UHFFFAOYSA-N 481.390 5.482 50 10 JKGE CCCc1nn(Cc2ccc(Cl)c(Cl)c2)c2c1[C@@H](c1cccc(Cl)c1)C(C#N)=C(N)O2 1865683100 FYNJQYWAAWDNSK-FQEVSTJZSA-N 473.791 6.062 50 10 JKGE CCCc1nn(C)c2c1[C@H](c1ccc(OCc3ccc(Cl)cc3Cl)cc1)C(C#N)=C(N)O2 1865701391 UNRWPGRFIVUBEG-OAQYLSRUSA-N 469.372 5.477 50 10 JKGE N#CC1=C(N)Oc2c(c(-c3ccccc3)nn2Cc2ccc(Cl)cc2)[C@@H]1c1ccccc1C(=O)O 1865704520 XTZHBCQMILJZLH-JOCHJYFZSA-N 482.927 5.168 50 10 JKGE Cc1nn(-c2cccc3ccccc23)c2c1[C@H](c1ccc(Br)cc1)C(C#N)=C(N)O2 1865714390 JCPLCCUJBKRXIZ-JOCHJYFZSA-N 457.331 5.315 50 10 JKGE N#CSc1ccc(NC(=O)[C@H](NC(=O)CCCc2cccc(Cl)c2)c2ccccc2)cc1 1867124225 COMBFDAFLCHDAH-XMMPIXPASA-N 463.990 5.732 50 10 JKGE CC(C)[C@H]1c2[nH]cnc2CCN1c1cc(Nc2ccc(SC#N)cc2)nc(-c2ccccc2)n1 1868365084 KFFDLIRPSYFIRU-VWLOTQADSA-N 467.602 5.943 50 10 JKGE COc1ccc(OC)c(/C=C2\Oc3cc(OCc4cccc(CCl)c4)cc(C)c3C2=O)c1 1871437227 NBWCGLSNAOKYBD-MSXFZWOLSA-N 450.918 5.946 50 10 JKGE CC(C)[C@H](/C(O)=C(\C#N)c1nc(-c2c[nH]c3ccccc23)cs1)N1C(=O)c2ccccc2C1=O 1872753132 ILMOJWHOKGAINE-HBBKMXGMSA-N 468.538 5.405 50 10 JKGE N#C/C(=C\c1ccc(OCc2ccccc2Cl)cc1)c1nc(-c2ccc(Cl)cc2)cs1 1872790137 NEEIVUUKEIULJC-DEDYPNTBSA-N 463.389 7.760 50 10 JKGE CCCOc1ccc(-c2csc(/C(C#N)=C(O)/C=C/c3cccc(Cl)c3)n2)cc1OCCC 1872818323 XBZPWXHDTYVNSZ-WXXFPUKGSA-N 481.017 7.547 50 10 JKGE Brc1ccc(OCc2ccccc2)c([C@H](Br)[C@H]2C[C@H]2Br)c1 1886850159 ZLBQSZDRJJFWEJ-YSVLISHTSA-N 475.018 6.248 50 10 JKGE COc1cc(C)c([C@@H](Br)c2cc(C)sc2Br)cc1Br 1901587478 ZCZYJQVZEAFLDI-CYBMUJFWSA-N 469.036 6.383 50 10 JKGE CC[C@H](Br)CN(Cc1ccccc1)C(=O)c1c(Br)cccc1OC 1915080215 JSVXPHSOXNOWET-HNNXBMFYSA-N 455.190 5.274 50 10 JKGE C[C@@H](CCCl)N(Cc1ccccc1)C(=O)c1ccc(I)c(Cl)c1 1915093660 XUTWUYLUTHJXKX-ZDUSSCGKSA-N 462.158 5.604 50 10 JKGE CC(C)(CBr)N(Cc1ccccc1)Cc1c(Br)cccc1Br 1915748905 ACLXALKHFCWVBF-UHFFFAOYSA-N 490.077 6.387 50 10 JKGE C[C@@H]1CC[C@@H]([C@@H](Br)c2c(Br)sc(Br)c2Cl)O1 1923067988 LHJXQRQHJXWVKQ-JCGDXUMPSA-N 453.421 5.930 50 10 JKGE Clc1c(Br)sc(Br)c1[C@H](Br)C1CC2(CCOC2)C1 1923071794 KWPTWSFJPHUJBB-BCIJWEBZSA-N 479.459 6.179 50 10 JKGE Cn1ncc([C@@H](Br)c2c(Cl)sc(Cl)c2Cl)c1I 1925597556 FWZFERGRKXBJKA-RXMQYKEDSA-N 486.387 5.531 50 10 JKGE BrCC(CBr)(Cc1c(Br)cccc1Br)C1CC1 1945328197 ZNHUCZNYWPXFCQ-UHFFFAOYSA-N 489.871 5.940 50 10 JKGE Clc1c(Br)sc(Br)c1[C@@H](Cl)c1cc(Br)sn1 1983291441 VGTVQMAAFPNNEO-YFKPBYRVSA-N 486.863 6.474 50 10 JKGE CC(C)C(F)(F)[C@H](Cl)c1c(Br)sc(Br)c1Br 1986773428 PZGQMISAJGQBFP-ZCFIWIBFSA-N 461.391 6.607 50 10 JKGE FC1(F)CC[C@@H]2[C@H]([C@H](Br)c3sc(Br)cc3Br)[C@H]21 2004120220 MBIPAKWWAOAHBI-VIJCPXHPSA-N 450.968 6.000 50 10 JKGE Fc1cc(Cl)c(Br)cc1[C@@H](Br)c1cc(Br)sn1 2007643762 LBPCEMROWIBYEQ-SNVBAGLBSA-N 464.379 5.945 50 10 JKGE Fc1cccc(Cl)c1C[C@H](Br)c1csc(Br)c1Br 2032954113 XADUBFTUOXKDQB-QMMMGPOBSA-N 477.418 6.744 50 10 JKGE N#CC(=C(Nc1ccc(F)cc1)SCC(=O)NC1CCCCCCC1)c1nc2ccccc2s1 2040466682 KFOVNEABLOGEPS-UHFFFAOYSA-N 494.661 6.702 50 10 JKGE CN(c1ccccc1)c1ccc(C=C(C#N)S(=O)(=O)c2ccc(Br)cc2)cc1[N+](=O)[O-] 2053528503 HVDAUMLJDZGBRC-UHFFFAOYSA-N 498.358 5.464 50 10 JKGE FC(F)(F)C1([C@H](Br)c2ccc(Br)cc2Br)CCC1 2083316909 AREYYEMLHURCNA-SNVBAGLBSA-N 450.918 6.380 50 10 JKGE CCC12COC([C@@H](Br)c3c(Br)sc(Br)c3Cl)(C1)C2 2084484709 VFNOKOHXILBHDC-RKWZHAFESA-N 479.459 6.322 50 10 JKGE Fc1ccc([C@@H](Br)Cc2ccccc2I)c(F)c1Cl 2087569658 IXVXPJLGVRHCIR-JTQLQIEISA-N 457.483 5.902 50 10 JKGE C[C@H](Cl)c1nc2cc(Br)c(Cl)cc2n1C[C@H](C)N(C)Cc1ccccc1 2103815294 LZTLFOWXJUELOW-KBPBESRZSA-N 455.227 6.273 50 10 JKGE Cc1cc(Br)c(CBr)c(Oc2cc(Cl)cc(Br)c2)c1 2116825227 AMFBOHFEQOIFNS-UHFFFAOYSA-N 469.398 6.861 50 10 JKGE CCCCO[C@@H]1[C@H](Br)C[C@H]1Oc1c(Br)cccc1Br 2118394857 PJWGWWLKSBUTLQ-YRGRVCCFSA-N 457.000 5.312 50 10 JKGE CCn1cc(Br)c([C@H](Br)[C@H](C)c2ccncc2Br)n1 2124763977 HANZKYMRQVVJRY-PRHODGIISA-N 451.988 5.063 50 10 JKGE CC1(C)CC12CC(CBr)(Cc1cc(Br)ccc1Br)C2 2127504883 JWHLECPSGMBQFO-UHFFFAOYSA-N 451.040 6.346 50 10 JKGE CC(C)(C)[C@H]1[C@H](Br)CCN1C(=O)c1scc(Br)c1Br 2128678541 YJEOYYDTWNVXBY-RDDDGLTNSA-N 474.056 5.297 50 10 JKGE Cc1cc(Br)c([C@H](Br)[C@H]2OCCOC2(C)C)cc1Br 2130230282 CQNALLWGYQNDHV-QWHCGFSZSA-N 457.000 5.150 50 10 JKGE Cc1cc([C@H](Br)c2ccc(Br)c(C)c2Br)ccc1Cl 2138854064 RXOLSHUAHGHUFN-HNNXBMFYSA-N 467.426 6.966 50 10 JKGE Fc1cc(CBr)ccc1OCc1ccc(I)c(Cl)c1 2142947301 QPRDSFXTJKXPLT-UHFFFAOYSA-N 455.492 5.558 50 10 JKGE C[C@](CI)(OC1CC(C(F)(F)F)C1)c1ccccc1Br 2153178284 LMZNLALPUUCCTH-SRHKJQAYSA-N 463.075 5.457 50 10 JKGE CC(C)(C)OC(=O)N1CCC([S@@](C)(=O)=NCC2(CBr)CCCCCC2)CC1 2163065063 XFKWANZIHVBRHD-HHHXNRCGSA-N 465.498 5.219 50 10 JKGE BrCc1cc(Br)ccc1N1CCC[C@@]2(CCCN(Cc3ccccc3)C2)C1 2163308829 XHLBDCZSPQYRKZ-HSZRJFAPSA-N 492.299 6.227 50 10 JKGE O=C(c1cc(Br)c(Br)s1)N1CCC[C@]2(CBr)CCC[C@H]12 2165295172 XNSKVRSJJZDNFQ-FZMZJTMJSA-N 486.067 5.443 50 10 JKGE O=C(NCC[C@H]1CCCC[C@@H]1Br)c1cc(Br)cc(Br)c1 2179634291 FGPBBKLTDNQYHY-YGRLFVJLSA-N 468.027 5.285 50 10 JKGE Brc1ccc([C@H](Br)[C@@H]2C[C@@H]3CCCCCC[C@H]32)c(Br)c1 2203681903 FDSLPCXADPGBGB-IYDIDCQVSA-N 465.067 7.254 50 10 JKGE Fc1ccc(Br)c(COc2cc(Br)cc(F)c2CBr)c1 2206266664 NBMDVWKEPJAETH-UHFFFAOYSA-N 470.933 5.964 50 10 JKGE Cc1c(Br)sc([C@@H](Br)c2csc(I)c2)c1C 2210555870 ONASWGLJULBIAN-VIFPVBQESA-N 492.039 6.278 50 10 JKGE FC(F)(F)[C@@H]1CC[C@H]1[C@@H](Br)c1cc(Br)sc1Br 2212879762 RMXUAEPWCYPPPI-UEYSZJFGSA-N 456.947 6.298 50 10 JKGE F[C@@H]([C@H](Br)c1c(Br)cc(Cl)c(Cl)c1Cl)C(F)(F)F 2217608833 SHYPFBBRNFTJEZ-XRGYYRRGSA-N 453.282 6.746 50 10 JKGE Cc1c(Br)sc([C@@H](Br)c2ccc(F)c(Br)c2)c1C 2218788621 DPRNVAYDPZLSLD-NSHDSACASA-N 457.000 6.513 50 10 JKGE CCn1ncc(Br)c1[C@H](Br)Cc1ccc(Br)cc1Cl 2229150833 HMXSJICOFNGNCX-SNVBAGLBSA-N 471.418 5.760 50 10 JKGE COc1c(C(C)C)cc(Br)cc1[C@@H](Cl)c1cscc1OCc1ccccc1 2233152357 IXFZOZNNGCOEGZ-OAQYLSRUSA-N 465.840 7.550 50 10 JKGE Fc1cc(Br)c(Br)cc1[C@H](Br)c1cc(Cl)cc(F)c1F 2233974650 GGMZCEJOLPTSBC-LBPRGKRZSA-N 493.342 6.767 50 10 JKGE Cc1cc([C@H](Br)c2c(F)cc(F)c(Br)c2F)ccc1Br 2236109435 JSAUMNWNCWSKJW-LBPRGKRZSA-N 472.924 6.422 50 10 JKGE Clc1ccc([C@@H](Br)Cc2cc(Br)cc(Br)c2)s1 2252779428 RCXNUZVGSOGTJO-JTQLQIEISA-N 459.428 6.605 50 10 JKGE Cn1c([C@H](Br)Cc2cc(Br)cc(Br)c2)cnc1Cl 2263519440 RMAZLZMUTAQMAZ-SNVBAGLBSA-N 457.391 5.277 50 10 JKGE Cc1cc(C)c([C@H](Br)c2scc(Br)c2Cl)c(C)c1Br 2264599634 XTPJHIBOUJKOII-LBPRGKRZSA-N 487.482 7.336 50 10 JKGE COc1ccc([C@@H](Br)c2csc(Br)c2Br)c(C)c1C 2269170828 GQGWXZIJHHUQSL-GFCCVEGCSA-N 469.036 6.383 50 10 JKGE C[C@H](Br)CN(C(=O)c1cc(Br)ccc1Br)C(C)(C)C 2272478247 AYUPVBOLVJTLHW-VIFPVBQESA-N 456.016 5.236 50 10 JKGE Cc1cc(Br)c(CBr)c(OCc2ccc(Br)cc2F)c1 2281371478 MXSYNUBFUMPPRU-UHFFFAOYSA-N 466.970 6.133 50 10 JKGE COCc1cc(Br)c([C@@H](Br)c2cc(Cl)c(Cl)cc2C)s1 2286459535 XJRXCUAZNGMRFG-ZDUSSCGKSA-N 459.030 6.757 50 10 JKGE CCOC(=O)c1c(-c2ccc(F)cc2)csc1NC(=O)C(C#N)=Cc1ccccc1OC 2296833337 YEVBBURVOGUJHI-UHFFFAOYSA-N 450.491 5.285 50 10 JKGE N=C(CCl)NCCC[C@H](NC(=O)c1ccc(N=Nc2ccccc2)cc1)c1nc2ccccc2[nH]1 2297749040 ZTBNXZDZQAHEDC-QHCPKHFHSA-N 487.995 6.035 50 10 JKGE Brc1cc(OCc2ccccc2)ccc1[C@@H](Br)[C@H]1C[C@@H]2CC[C@H]1C2 2299494496 NRXNFNYNFMIBER-KPYYAMLLSA-N 450.214 6.900 50 10 JKGE CC(C)(CC(F)F)[C@H](Br)c1cc(Br)ccc1OCc1ccccc1 2299497463 QSBSITANIOFZMS-GOSISDBHSA-N 462.172 7.146 50 10 JKGE Brc1ccc(OCc2ccccc2)c([C@@H](Br)[C@H]2CC3(CC3)CO2)c1 2299535182 MAQWKXLVQVOVFV-RTBURBONSA-N 452.186 6.033 50 10 JKGE CC[C@@H](Br)CN(CCc1ccc(OC)cc1Br)Cc1ccccc1 2301371412 FUANNBOBPHYCBR-GOSISDBHSA-N 455.234 5.676 50 10 JKGE CCOc1cc(C=C(C#N)C(=O)Nc2cccc(C)c2)cc(Br)c1OCc1ccccc1 2313518908 YYGUYGMMJODRBJ-UHFFFAOYSA-N 491.385 6.281 50 10 JKGE N#CC(=Cc1cn(Cc2ccc(Br)cc2)c2ccccc12)C(=O)NCc1ccccc1 2313574073 JMMYMHQEOZRJMG-UHFFFAOYSA-N 470.370 5.675 50 10 JKGE N#CC(=Cc1cc(Cl)ccc1OCc1ccc(Cl)cc1)C(=O)Nc1ccc(Cl)cc1 2313630551 BOSDEERWCDPYDZ-UHFFFAOYSA-N 457.744 6.771 50 10 JKGE CCc1ccccc1NC(=O)C(C#N)=Cc1ccc(OCc2ccc(Cl)c(Cl)c2)c(OC)c1 2313738474 FBBSXLUZRSQSFU-UHFFFAOYSA-N 481.379 6.689 50 10 JKGE CS[C@H]1C[C@@H](COc2c(Br)cc(CBr)cc2Br)C1 2314288089 GXPZVCPHQLKJAO-AOOOYVTPSA-N 459.041 5.627 50 10 JKGE FC1(F)[C@@H]2[C@@H]([C@@H](Br)c3cc(Br)ccc3OCc3ccccc3)CC[C@H]21 2314451741 HMTMXXWTKNQXBM-RGIVZKHGSA-N 472.167 6.755 50 10 JKGE Brc1ccc(OCc2ccccc2)c([C@H](Br)[C@@H]2CC[C@H]3C[C@H]3CC2)c1 2314454716 ILMWTCFVIYAZGQ-WYADAEROSA-N 464.241 7.290 50 10 JKGE N#CC(=Cc1ccc(-n2nc(-c3ccccc3)cc2-c2ccccc2)cc1)C(=O)Nc1ccccc1 2314482884 YOROUAJXBBGRJT-UHFFFAOYSA-N 466.544 6.752 50 10 JKGE Cc1ccc(Oc2nc3ccccn3c(=O)c2C=C(C#N)C(=O)Nc2cc(C)ccc2C)c(C)c1 2314534047 WXELDOWFDCDUBX-UHFFFAOYSA-N 464.525 5.266 50 10 JKGE N#CC(=Cc1ccc(-c2ccc(Cl)c(Cl)c2)o1)C(=O)Nc1cccc(C(F)(F)F)c1 2314571998 QGRVUMKAKWLWFX-UHFFFAOYSA-N 451.231 6.818 50 10 JKGE CCc1ccc(N2C(=O)[C@@H](Cc3ccc(C(C)C)cc3)SC2=C(C#N)C(=O)NCc2ccco2)cc1 2314593374 MAQXPMXZZCDKHE-AREMUKBSSA-N 499.636 5.708 50 10 JKGE CCOCc1cc(Br)c([C@H](Br)c2cnsc2Br)s1 2315619298 GRQLHFIARVUDPP-SECBINFHSA-N 476.053 5.750 50 10 JKGE N#CC(=CNc1ccc(I)cc1)C(=O)Nc1ccc(Cl)cc1Cl 2318455620 XRSGKMPZROTRQK-UHFFFAOYSA-N 458.086 5.056 50 10 JKGE Cc1cc([C@H](Br)c2csc(C)c2Br)c(C)cc1Br 2320497942 RQBDCMVGJATEDN-AWEZNQCLSA-N 453.037 6.683 50 10 JKGE N#CC(=C(O)COc1cc(Cl)ccc1Cl)c1nc(-c2ccc3ccccc3c2)cs1 2331238765 TWUHKHNUVDWKFY-UHFFFAOYSA-N 453.350 7.142 50 10 JKGE CCCCOc1ccc(C(O)=C(C#N)c2nc(-c3cccc(OC)c3)cs2)cc1OCC 2331248668 LHXOYMIPHMCMIM-UHFFFAOYSA-N 450.560 6.346 50 10 JKGE CCCOc1ccc(-c2csc(C(C#N)=C(O)CCOc3ccccc3)n2)cc1OCCC 2331293655 LYUMXGBKOJJLLC-UHFFFAOYSA-N 464.587 6.649 50 10 JKGE CC[C@H](C)N1C(=O)c2ccc(C(O)=C(C#N)c3nc(-c4ccc(F)c(C)c4)cs3)cc2C1=O 2331320490 VZLQCMWPJILOFE-AWEZNQCLSA-N 461.518 5.602 50 10 JKGE Cc1cc(-c2csc(C(C#N)=C(O)CCCOc3cc(C)c(Cl)c(C)c3)n2)ccc1F 2331320736 ZCPBFZQTRJASOC-UHFFFAOYSA-N 456.970 7.180 50 10 JKGE CCCCCCCOc1ccc(-c2csc(C(C#N)=C(O)[C@H](C)Oc3ccc(Cl)cc3)n2)cc1 2331345411 ITFNFRMATADRJI-IBGZPJMESA-N 497.060 8.073 50 10 JKGE CCc1cccc(C)c1N1C[C@H](C(O)=C(C#N)c2nc(-c3ccc(C)c(C)c3)cs2)CC1=O 2331382564 GWNBKWUUVZMFAP-OAQYLSRUSA-N 457.599 6.144 50 10 JKGE COc1c(C)cc(Cl)cc1-c1csc(C(C#N)=C(O)[C@H](C)N2C(=O)c3ccccc3C2=O)n1 2331391929 VYAQPHGYIRUJNT-ZDUSSCGKSA-N 479.945 5.258 50 10 JKGE CCCCCCCOc1ccc(-c2csc(C(C#N)=Cc3cc(Cl)ccc3O)n2)cc1 2331459746 QTYOSKPHERTYJL-UHFFFAOYSA-N 453.007 7.582 50 10 JKGE CCCCCOc1ccc(C=C(C#N)c2nc(-c3cc(C(C)(C)C)ccc3C)cs2)cc1OC 2331478303 IEQAWRZVBCJIRI-UHFFFAOYSA-N 474.670 8.058 50 10 JKGE CCCCCCOc1ccc(C=C(C#N)c2nc(-c3ccc(OC)c(Cl)c3)cs2)cc1OC 2331484876 ZEMMSMHUQAUZQH-UHFFFAOYSA-N 483.033 7.504 50 10 JKGE Cc1c(Br)sc([C@@H](Br)[C@@H]2C[C@H]2C2CCOCC2)c1Br 2332687040 GUIGMJICNUGAQB-UMNHJUIQSA-N 473.068 6.080 50 10 JKGE FC(F)(F)[C@]12C[C@]([C@H](Br)c3cc(Br)c(Br)s3)(CO1)C2 2338516118 JNUDPTAXJQIYMB-SZEHBUNVSA-N 484.957 5.821 50 10 JKGE CCC(CC)C[C@@H](Br)c1c(C)cc(Br)c(OC)c1Br 2339655552 FKJZOEDUOAOXRO-LLVKDONJSA-N 457.044 6.791 50 10 JKGE CO[C@]1(C(F)F)C[C@H]([C@H](Br)c2cc(Br)ccc2Br)C1 2343010899 VOGKZOYAIOUIFE-LCHGKGQCSA-N 462.954 5.708 50 10 JKGE FC(F)(F)Oc1ccc(Cl)cc1[C@H](Br)c1cnsc1Br 2362471089 PVZZTWVDVNQVRB-VIFPVBQESA-N 451.489 5.942 50 10 JKGE COc1cc([C@@H](Br)c2ccc(I)cc2)c(OC)cc1Cl 2363542637 VSUSSDNPHNYFLR-HNNXBMFYSA-N 467.528 5.446 50 10 JKGE COc1cc(Cl)c([C@@H](Cl)c2c(Br)c(Br)nn2C)cc1Cl 2364228167 JMFOAMYCZIXEKA-SNVBAGLBSA-N 463.384 5.589 50 10 JKGE Cc1ccc(F)cc1[C@@H](Br)c1c(C)cc(Br)c(F)c1Br 2365178041 GVALYSGBTBYRNI-CYBMUJFWSA-N 468.961 6.591 50 10 JKGE COc1c(Br)cc(C)cc1C[C@H](Br)c1ccc(Br)cc1 2365217787 HNSSJNRQUWESGY-AWEZNQCLSA-N 463.007 6.207 50 10 JKGE Cc1cc(Br)c(F)c(Br)c1[C@H](Br)[C@@H](C)C1CCCCC1 2365222402 CRSLGYCLLADHPJ-IINYFYTJSA-N 471.046 7.312 50 10 JKGE CC[C@H](O[C@H]1CN(C(=O)OC(C)(C)C)C[C@H]1I)c1ccc(C(F)(F)F)cc1 2369783179 OLNPPIVUNCEUDR-PMPSAXMXSA-N 499.311 5.596 50 10 JKGE CCCCCCOc1ccc(/C=C2/C(=O)N(Cc3ccc(C)cc3)C(=O)C(C#N)=C2C)cc1OC 38608438 ZAUWYYWUSRJYJN-LFVJCYFKSA-N 472.585 5.755 50 10 JKGE COc1cccc(C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@H]3c2ccc(Cl)cc2Cl)c1 38655155 MTKNLRCQPNNNGN-QFIPXVFZSA-N 467.308 5.439 50 10 JKGE Cc1c(C(=O)Nc2ccccc2)oc2c1/C(=N/NC(=O)c1ccc(Br)cc1)CCC2 40811796 YHNGPKSEKQXARO-NLRVBDNBSA-N 466.335 5.073 50 10 JKGE Cc1cc(C)c2c(CC(=O)N/N=C3\CCCc4oc(C(=O)NC5CCCCC5)c(C)c43)coc2c1 40826914 MBUMCLVHGIGBAV-MWAVMZGNSA-N 475.589 5.413 50 10 JKGE CCCOc1ccc(/C=N/NC(=O)COc2ccc(-c3ccccc3)cc2Br)cc1OC 40910912 XMAINTIOYURUPV-JVWAILMASA-N 497.389 5.443 50 10 JKGE O=C(CSc1c(Cl)c(Cl)c(Cl)c(Cl)c1Cl)N/N=C/c1ccc2cccnc2c1 59167637 MKIWYVKFWPHWJP-JRXWSOMVSA-N 493.630 6.744 50 10 JKGE COc1ccc(-c2nn(-c3ccccc3)cc2/C=C(/C#N)c2nc3ccccc3s2)cc1OC 89464754 IESCQZKHDIETJH-RGEXLXHISA-N 464.550 6.230 50 10 JKGE COc1ccc(CNC(=O)/C(C#N)=C\c2ccc(COc3ccc(Cl)c(Cl)c3)o2)cc1 96438700 HUIVWPMMHIFEBM-YBEGLDIGSA-N 457.313 5.397 50 10 JKGE CCCCCCCCCCCCCCCCN1C=C/C(=C/C=C(/C#N)C(=O)OC)c2ccccc21 100167118 PSNQISXMZBYGEP-ZDSKVHJSSA-N 476.705 8.508 50 10 JKGE CC1=C(C#N)C(=O)N(CC(C)C)C(=O)/C1=C/c1cn(-c2ccccc2)nc1-c1ccc(OC(C)C)cc1 101334712 OSSDPTMMRZPZNM-CVKSISIWSA-N 494.595 5.575 50 10 JKGE C[C@@H](Br)c1ccccc1NS(=O)(=O)c1ccc(Br)cc1Cl 136607350 QWLGAUZNTMTZPZ-SECBINFHSA-N 453.583 5.359 50 10 JKGE Clc1cc([C@@H](Br)Cc2cccc(Br)c2)ccc1Br 149056923 SMAMPPSNPAMNMF-ZDUSSCGKSA-N 453.399 6.544 50 10 JKGE Cc1ccc(C(CBr)(CBr)Cc2cccc(F)c2Br)cc1 157924191 QOMKHURFQWWOSP-UHFFFAOYSA-N 479.025 6.167 50 10 JKGE Fc1ccc(Br)c([C@H](Br)c2csc3c(Br)cccc23)c1 163514490 SVJZKISRQDYGPB-AWEZNQCLSA-N 479.006 7.050 50 10 JKGE C=CCOc1ccc(-c2nn(-c3ccccc3)cc2/C=C2\C(=O)N(CCC)C(=O)C(C#N)=C2C)cc1 214218084 WBKFHPMTOVUIKC-UQQQWYQISA-N 478.552 5.106 50 10 JKGE CCCCCCOc1ccc(/C=C2\C(=O)N([C@@H](C)c3ccccc3)C(=O)C(C#N)=C2C)cc1OC 214342308 HILOEDASXYHJPJ-HLJDWQABSA-N 472.585 6.008 50 10 JKGE COc1ccc([C@H](Br)c2cc(Cl)ccc2Cl)c(OC)c1Br 224852855 JBHCVCNRWRBEJG-ZDUSSCGKSA-N 454.973 6.257 50 10 JKGE Cc1cc(Br)cc([C@@H](Br)c2cc(Br)c(Cl)s2)c1 227844769 LLRLCZWXYMWYBT-LLVKDONJSA-N 459.428 6.719 50 10 JKGE Cc1ccc(C)c(COc2c(Br)cc(CBr)cc2Br)c1 235879542 DBXZBFUBEOXNTD-UHFFFAOYSA-N 463.007 6.302 50 10 JKGE ClCc1nc2cc(I)ccc2n1-c1cccc(Cl)c1Br 236016320 GGMUJOOGNWIIRM-UHFFFAOYSA-N 481.946 5.785 50 10 JKGE Brc1cc([C@H](Br)[C@@H]2CC[C@@H]3CCCC[C@H]3C2)c(Br)s1 250746140 MKPNOCUQRWMYKX-KZWBYHQPSA-N 471.096 7.316 50 10 JKGE CCOc1cc(C=NNC(=O)c2ccc(OC)cc2)cc(Br)c1OCc1ccccc1C 252597708 CUAFZWJTESOGQL-UHFFFAOYSA-N 497.389 5.508 50 10 JKGE CCCCc1ccc(OCC(=O)NN=Cc2c(OC(=O)c3cccc(C)c3)ccc3ccccc23)cc1 254717098 XVYAZTIZVQUYRH-UHFFFAOYSA-N 494.591 6.239 50 10 JKGE O=C(NN=Cc1ccc(-c2cccc(Br)c2)o1)C1c2ccccc2Oc2ccccc21 254848844 NGMLPRUGLNOWRP-UHFFFAOYSA-N 473.326 6.097 50 10 JKGE Clc1ccc([C@@H](Br)c2cc3c(cc2Br)OCC3)cc1Br 308415201 MIADMGRPMBIEAM-OAHLLOKOSA-N 481.409 6.284 50 10 JKGE O=C(OCc1ccccc1)N1C[C@@H](CI)[C@H](c2ccc(Cl)cc2)C1 382684222 GRBPKNYXXICEOV-AEFFLSMTSA-N 455.723 5.127 50 10 JKGE C[C@]12CCC(=O)C=C1CC[C@H]1[C@H]2[C@@H](O[Si](C)(C)C)C[C@]2(C)[C@@H]1CC[C@]2(C#N)O[Si](C)(C)C 503938992 XJMCXAZKIBJUJN-ZDUVLXAVSA-N 473.806 6.462 50 10 JKGE CC(C)(C)OC(=O)NCCN1CCCCC[C@H]1c1cccc(CCO[Si](C)(C)C(C)(C)C)c1 616625809 WRVBZXOXWKJBMS-DEOSSOPVSA-N 476.778 6.693 50 10 JKGE Clc1cc([C@H](Br)c2cc(Br)cc3c2OCCC3)c(Cl)s1 688380355 VQBZKZQVHMVLFV-GFCCVEGCSA-N 457.014 6.627 50 10 JKGE CC(C)(COc1c(Br)cc(Br)cc1CBr)CC(F)(F)F 694003833 PYMCXFRYBZQKMR-UHFFFAOYSA-N 482.960 6.464 50 10 JKGE C[C@H](CC(CBr)(CBr)c1cccc(Br)c1)C(C)(C)C 710816958 ZDXWYORPAZWJGP-GFCCVEGCSA-N 455.072 6.549 50 10 JKGE Cc1cc(CBr)cc2c1OCCN(C(=O)OCC1c3ccccc3-c3ccccc31)C2 725259564 GPSUVBNKVZFWDW-UHFFFAOYSA-N 478.386 6.033 50 10 JKGE COc1c(C)cc(Br)c(C)c1[C@@H](Br)c1cn(C)c(Br)n1 829355473 XGJLWEFFTRNSOB-LBPRGKRZSA-N 466.999 5.055 50 10 JKGE COc1ccc(C=NNC(=O)c2cccc3ccccc23)cc1OCc1ccc(Br)cc1 1083872365 PGXYPGBKNODYKI-UHFFFAOYSA-N 489.369 5.954 50 10 JKGE N#C/C(=C/c1ccccc1OCc1ccc(Cl)cc1Cl)C(=O)Nc1cccc(C(F)(F)F)c1 1084100375 AFRAPEGKIGWYTA-YVLHZVERSA-N 491.296 7.137 50 10 JKGE Cc1cccc(Cl)c1OCc1ccc(C=NNC(=O)c2ccc(NC(=O)c3ccccc3)cc2)o1 1084249667 HFGGQDDJJNEADS-UHFFFAOYSA-N 487.943 5.837 50 10 JKGE COC[C@H](C)n1c(C)cc(/C=C(/C#N)C(=O)N2CCC(c3nc4cc(Cl)ccc4s3)CC2)c1C 1087446406 FTCYEGOOQRAMMY-WCEBZYJUSA-N 497.064 5.889 50 10 JKGE CCCCc1ccc(NC(=O)c2oc3c(c2C)C(=NNC(=O)c2cccc([N+](=O)[O-])c2)CCC3)cc1 1772745587 BRPYMRBGQCOTDN-UHFFFAOYSA-N 488.544 5.562 50 10 JKGE COc1cc(C=NNC(=O)[C@@H](C)Oc2ccc(C(C)(C)C)cc2)ccc1OCc1ccccc1Cl 1772756118 LMIOFVJKHZLFLD-LJQANCHMSA-N 495.019 6.143 50 10 JKGE Cc1ccc(Cn2nc(-c3ccccc3)c3c2OC(N)=C(C#N)[C@@H]3c2ccc(N(C)C)cc2)cc1 1865683731 NZYIHCYSHNHBHU-VWLOTQADSA-N 461.569 5.191 50 10 JKGE CCCCOc1ccc([C@@H]2C(C#N)=C(N)Oc3c2c(CC)nn3-c2ccc(OC)cc2)cc1OCC 1865687546 UNTVRTAGGQVFEJ-RUZDIDTESA-N 488.588 5.239 50 10 JKGE CCCOc1ccc([C@H]2C(C#N)=C(N)Oc3c2c(CC)nn3Cc2ccc(C)cc2)cc1OCC 1865691275 OFBZIVCHNUQURU-VWLOTQADSA-N 472.589 5.208 50 10 JKGE CCOc1cc([C@H]2C(C#N)=C(N)Oc3c2c(C)nn3CC(C)C)ccc1OCc1ccccc1 1865693930 MYAASNYMBBECCL-VWLOTQADSA-N 458.562 5.043 50 10 JKGE CCCOc1ccc([C@@H]2C(C#N)=C(N)Oc3c2c(C(F)(F)F)nn3-c2cccc3ccccc23)cc1 1865694388 UPWDJJOTXYZILN-JOCHJYFZSA-N 490.485 6.051 50 10 JKGE CCCc1nn(Cc2ccc(Cl)cc2)c2c1[C@@H](c1ccc(OCC)c(OC)c1)C(C#N)=C(N)O2 1865694993 HJRDFEJSOXDONO-QHCPKHFHSA-N 478.980 5.163 50 10 JKGE N#CSc1ccc(NC(=O)[C@H](NC(=O)c2cc(-c3ccc(F)c(F)c3)[nH]n2)c2ccccc2)cc1 1867094126 MVPQLVPJWOUGDI-HSZRJFAPSA-N 489.507 5.038 50 10 JKGE N#C/C(=C(/O)COc1ccc(Cl)cc1Cl)c1nc(-c2ccc3c(c2)OCCO3)cs1 1872750614 HYGSPYVLDPNJIS-VKAVYKQESA-N 461.326 5.760 50 10 JKGE CCCCCCCOc1ccc(-c2csc(/C(C#N)=C(\O)C(Cl)(Cl)Cl)n2)cc1 1872753053 FUNDTDXXACSHIU-VLGSPTGOSA-N 459.826 7.322 50 10 JKGE N#C/C(=C\c1ccc(OCc2ccc(Cl)cc2)cc1)c1nc(-c2cccc(Cl)c2)cs1 1872789966 BLUOOVINTYYJID-UDWIEESQSA-N 463.389 7.760 50 10 JKGE COc1c(C)cc(Cl)cc1-c1csc(/C(C#N)=C/c2cccc(OCc3ccccc3)c2)n1 1872794347 WNKINKMABOQMQR-CIAFOILYSA-N 472.997 7.424 50 10 JKGE CCCCCc1ccc([C@@H](Br)c2csc(Br)c2Br)s1 1888983916 JORDOCXFMSPAST-LBPRGKRZSA-N 487.120 7.552 50 10 JKGE Clc1c(Br)sc(Br)c1[C@H](Br)[C@H]1C[C@H]1Br 1893054378 MBVMQJKMXZZVKQ-GDGKWOGESA-N 488.264 6.146 50 10 JKGE O=C(N[C@@H](CCBr)COCc1ccccc1)c1ccccc1OCc1ccccc1 1902793474 AXEBWNGUXMSZMJ-QFIPXVFZSA-N 468.391 5.366 50 10 JKGE CC(C)[C@@H](CBr)N(Cc1ccccc1)C(=O)c1ccc(F)cc1Br 1915298439 SYZDHEWMOOTLRW-GOSISDBHSA-N 457.181 5.650 50 10 JKGE O=C(c1ccc(Cl)cc1Br)N(Cc1ccccc1)[C@H](CBr)C1CC1 1915315843 ZCUDSCROQYOANY-GOSISDBHSA-N 471.620 5.918 50 10 JKGE COc1cc(Cl)ccc1[C@H](Br)c1sc(Br)c(C)c1Br 1922882788 NHSJCYAZWSLUOD-NSHDSACASA-N 489.454 6.728 50 10 JKGE Cc1cc(Br)c(F)c([C@H](Cl)c2sc(Br)cc2Br)c1 1922886313 RXDJBBSNDNAGRP-JTQLQIEISA-N 477.418 6.811 50 10 JKGE Clc1cc(Cl)cc([C@@H](Cl)c2c(Br)sc(Br)c2Cl)c1 1923038574 JXJXNDMDGOYWIF-MRVPVSSYSA-N 469.840 7.562 50 10 JKGE Cl[C@H](c1c(Br)sc(Br)c1Br)C1CC[C@H]2C[C@@H]2CC1 1924615921 ILRXGPRIVFOCTR-LAEOZQHASA-N 477.487 7.142 50 10 JKGE Cc1ccc(Cl)c([C@H](Br)c2c(Br)sc(Br)c2Cl)c1 1925502840 SHKFECVYKLYMDY-VIFPVBQESA-N 493.873 7.373 50 10 JKGE CCn1ncc(Br)c1[C@@H](Br)c1c(Cl)sc(Cl)c1Cl 1925547237 DZNOXNBMZCYMNS-LURJTMIESA-N 453.414 6.172 50 10 JKGE CCc1sc(Br)cc1[C@@H](Cl)c1cc(Br)c(Br)s1 1943036807 NGYXZMXORJTXOU-SNVBAGLBSA-N 479.484 6.988 50 10 JKGE FC1(F)CCOC[C@@H]1[C@H](Br)c1cc(Br)c(Br)s1 2001816648 DSOCJIMRLLVGFI-XRGYYRRGSA-N 454.956 5.381 50 10 JKGE C[C@@H]1CN(c2c(CBr)ccc(Br)c2Cl)[C@H](C)CN1Cc1ccccc1 2036841577 CZAWZAILQQJGQC-HUUCEWRRSA-N 486.679 6.097 50 10 JKGE Cc1cc([C@@H](Br)c2cc(Br)c(Cl)cc2F)c(Br)s1 2039500750 NBHSRPXISHTROP-NSHDSACASA-N 477.418 6.858 50 10 JKGE FC1(F)CCC[C@@H]2[C@H]([C@@H](Br)c3cc(Br)c(Br)s3)[C@@H]21 2051240140 FCOXZWNRENTCAA-NZENMJELSA-N 464.995 6.391 50 10 JKGE COc1cc(C)c([C@H](Br)c2sncc2Br)cc1Br 2078010285 UYVGMFBMAJBFQG-NSHDSACASA-N 455.997 5.469 50 10 JKGE Cc1ccc(Cl)cc1[C@@H](Br)c1ccc(Br)cc1Br 2083336882 FNOXQEWBXJLXHJ-AWEZNQCLSA-N 453.399 6.658 50 10 JKGE Fc1cc2c(cc1I)nc(CCl)n2C1(CCOCc2ccccc2)CC1 2090323229 YSKDYLVBXPUPDQ-UHFFFAOYSA-N 484.740 5.615 50 10 JKGE C[C@H]1Cc2cc([C@@H](Br)c3sccc3Br)cc(Br)c2O1 2090467849 RGKGMCWJEQFJDE-JVXZTZIISA-N 467.020 6.081 50 10 JKGE O=C(c1csc(Br)c1Br)N(CCBr)Cc1ccsc1 2114641388 ULGKYVOSZDSSEL-UHFFFAOYSA-N 488.064 5.372 50 10 JKGE C[C@@H](CCCCCBr)NC(=O)c1ccc(I)c(Cl)c1 2117896102 XTKKKUOEQJLELV-JTQLQIEISA-N 458.565 5.018 50 10 JKGE Cc1cc(Cl)c(Br)cc1[C@H](Br)c1c(Br)sc(C)c1C 2137661095 XWYRORZWZNIJMA-ZDUSSCGKSA-N 487.482 7.336 50 10 JKGE Cc1c(Br)ccc([C@H](Br)c2ccc(F)c(F)c2)c1Br 2138851762 LOMKNMPQYIKZKP-CQSZACIVSA-N 454.934 6.283 50 10 JKGE CC(C)(C1CCCCC1)[C@H](Br)c1ccc(Br)cc1Br 2138861361 DNIUSKPPOPUCEG-OAHLLOKOSA-N 453.056 7.254 50 10 JKGE BrCc1cc(Br)ccc1N1CCc2cccc(Br)c2C1 2149905983 OYIQSAGDIDLMDZ-UHFFFAOYSA-N 460.007 5.669 50 10 JKGE O=C(c1scc(Br)c1Br)N1CCC2(CCC(Br)CC2)C1 2156009394 FAUJLELAGVUCQY-UHFFFAOYSA-N 486.067 5.443 50 10 JKGE ClCc1ccc(Br)c(Cl)c1N1CC[C@H]2COC[C@@H](C1)N2Cc1ccccc1 2204520774 BPQVUMMBOQDGCT-ZWKOTPCHSA-N 470.238 5.321 50 10 JKGE O=C(Cc1ccc(Br)cc1Cl)N(Cc1ccccc1)[C@H](CBr)C1CC1 2221699256 FVZVNQFTTPSHDH-LJQANCHMSA-N 485.647 5.847 50 10 JKGE Cc1cc(Br)c([C@@H](Cl)c2ccc(Br)c(C)c2Br)s1 2221820636 QTCYDKHUKBQOAL-LBPRGKRZSA-N 473.455 6.981 50 10 JKGE Cc1sc(Br)c([C@H](Cl)c2cc(Br)c(Br)cc2F)c1C 2225615650 KAYKALAKNGXOLJ-GFCCVEGCSA-N 491.445 7.120 50 10 JKGE CC(C)(CC(F)(F)F)[C@H](Br)c1cc(Br)c(Br)cc1F 2225616099 MXAJQEIHPLNJHG-SNVBAGLBSA-N 470.924 6.765 50 10 JKGE Cc1csc([C@@H](Br)c2c(Br)cc(C)c(Br)c2C)c1Cl 2227352556 QIUQBYFEUJHAIL-LBPRGKRZSA-N 487.482 7.336 50 10 JKGE COc1cc(Br)c([C@H](Br)c2cc(Br)oc2C)cc1C 2227725948 QIHZJBRJPTZEEA-CQSZACIVSA-N 452.968 5.914 50 10 JKGE COCc1cccc2c1nc([C@H](C)Cl)n2CCCN(Cc1ccccc1)Cc1ccccc1 2228611352 BYUXTASZFMNAOG-QFIPXVFZSA-N 462.037 6.575 50 10 JKGE FC1(COc2c(Br)cc(Br)cc2CBr)CCOCC1 2229968945 PGDVOTSRPUCFIY-UHFFFAOYSA-N 460.963 5.004 50 10 JKGE Fc1cc(Cl)cc([C@H](Br)c2c(Br)cc(Cl)c(Cl)c2Cl)c1 2232530224 PYEUKVUWYGXEPR-NSHDSACASA-N 481.801 7.686 50 10 JKGE Cc1cc(Br)c([C@H](Cl)c2cc(F)ccc2Br)c(C)c1Br 2235603343 IRGDNVQDQXJCFJ-OAHLLOKOSA-N 485.416 7.058 50 10 JKGE Cc1ccc([C@H](Cl)c2c(Br)cc(C)c(Br)c2C)cc1Br 2235607285 YVYDRUPSUBZMBY-INIZCTEOSA-N 481.453 7.228 50 10 JKGE Clc1ccc(CO[C@H](CI)c2ccccc2Br)c(Cl)c1 2239710241 USDYFSBFIKOINO-OAHLLOKOSA-N 485.974 6.449 50 10 JKGE BrC[C@@H]1C[C@H]2CCCC[C@H]2N1Cc1cc(Br)ccc1Br 2240685649 DJDLSZLHJUYRLF-DIOULYMOSA-N 466.055 5.740 50 10 JKGE Cc1cc(Br)c([C@H](Br)c2csnc2Br)c(C)c1F 2253505210 PIOUEGSJTGFWTJ-SNVBAGLBSA-N 457.988 5.908 50 10 JKGE Cc1cccc([C@@H](Br)c2sc(C)c(C)c2Br)c1Br 2253506722 ZHADOYISJGUAHA-CYBMUJFWSA-N 453.037 6.683 50 10 JKGE Clc1ccc(Br)cc1COC1(CI)CCCCCC1 2277806704 LXRZOYWZRIPSPH-UHFFFAOYSA-N 457.577 6.147 50 10 JKGE Fc1cc([C@@H](Br)Cc2cc(Br)cc(Br)c2)ccc1Cl 2277960878 MQNAKLWNNRUARK-LBPRGKRZSA-N 471.389 6.683 50 10 JKGE Fc1cc(Br)ccc1[C@H](Cl)Cc1cc(Br)cc(Br)c1 2277962728 KUNZVROTSGKHBO-CYBMUJFWSA-N 471.389 6.636 50 10 JKGE COc1ccc([C@H](Br)c2cc(C)ccc2Br)c(Br)c1Cl 2283560287 CIAAAHDCVHKZLQ-ZDUSSCGKSA-N 483.425 6.666 50 10 JKGE C=CC[C@]1(CBr)CCCCN1Cc1cc(Br)ccc1Br 2287724599 LHWXQAHTMORBPI-MRXNPFEDSA-N 466.055 5.907 50 10 JKGE CCCc1ccccc1[C@@H](Br)Cc1cc(Br)cc(Br)c1 2295336624 YTSWZGDGQCCKEG-KRWDZBQOSA-N 461.035 6.843 50 10 JKGE COc1cc(OC)c([C@@H](Br)c2cc(Cl)c(Cl)s2)cc1Br 2295421024 JZYUDNYSOKEHQB-GFCCVEGCSA-N 461.002 6.319 50 10 JKGE Cc1ccccc1NC(=O)C(C#N)=C1S[C@@H](Cc2ccccc2)C(=O)N1c1ccccc1C 2296507247 ZSKZEYKQULAVGD-DEOSSOPVSA-N 453.567 5.368 50 10 JKGE CCC(=O)Nc1sc(C(C#N)=Cc2ccc(I)cc2)nc1-c1ccccc1 2296540288 MQZPDMSSAIRTSD-UHFFFAOYSA-N 485.350 5.827 50 10 JKGE CCOc1cc(C=C(C#N)c2nn(-c3ccccc3)c(N)c2C#N)ccc1OCc1ccc(Cl)cc1 2296738383 NJVTXSVPEUEKGI-UHFFFAOYSA-N 495.970 6.021 50 10 JKGE Cc1c(Cl)cccc1NC(SCc1ccc(F)cc1)=C(C#N)S(=O)(=O)c1ccccc1 2297350043 PFQNNVLJOGHPFS-UHFFFAOYSA-N 472.994 6.299 50 10 JKGE Brc1ccc(OCc2ccccc2)c([C@H](Br)C[C@@H]2C[C@@H]2C2CC2)c1 2299529479 BZXYGTGQQDFCRI-ILZDJORESA-N 450.214 6.900 50 10 JKGE FC1(F)C[C@]12C[C@@H]2[C@H](Br)c1cc(Br)ccc1OCc1ccccc1 2299535017 KLSFLMZIWFFWJB-NXHRZFHOSA-N 458.140 6.509 50 10 JKGE Fc1c(Br)cc(Cl)c([C@H](Br)[C@@H]2CCOC2)c1Br 2300170811 RLDOXHUFLHAWLG-MLUIRONXSA-N 451.355 5.477 50 10 JKGE Cc1sc([C@H](Cl)c2sc(Cl)cc2I)c(C)c1Br 2300953675 MVLMLIMSSSVBEB-VIFPVBQESA-N 482.033 6.775 50 10 JKGE N#CC(=Cc1ccc(OCc2cccc(Cl)c2)cc1)C(=O)Nc1cc(Cl)ccc1Cl 2313631954 ZRCAJXKQCVQKAK-UHFFFAOYSA-N 457.744 6.771 50 10 JKGE COc1cc(C=C(C#N)C(=O)NCc2cccs2)ccc1OCc1c(F)cccc1Cl 2313664592 AMQQMLGSMJQFSC-UHFFFAOYSA-N 456.926 5.352 50 10 JKGE CCOc1cc(C=C(C#N)C(=O)Nc2cc([N+](=O)[O-])ccc2Cl)ccc1OCc1ccc(F)cc1 2313670518 BYCXCIBCEGDUBA-UHFFFAOYSA-N 495.894 5.911 50 10 JKGE N#CC(=Cc1cc(Br)ccc1OCc1ccccc1Cl)C(=O)NC1CCCC1 2313728176 WZMFRMXWNUFTDU-UHFFFAOYSA-N 459.771 5.647 50 10 JKGE CCNC(=O)C(C#N)=Cc1cn(-c2ccccc2)nc1-c1cccc(OCc2ccc(F)cc2)c1 2314477843 ASOMAECBEIQSOM-UHFFFAOYSA-N 466.516 5.300 50 10 JKGE N#CC(=Cc1ccc2noc(-c3ccc(Cl)cc3)c2c1)C(=O)Nc1ccc(Cl)c(Cl)c1 2314572143 UJVDIEOPOTUJQE-UHFFFAOYSA-N 468.727 7.001 50 10 JKGE COc1ccc(N2C(=O)[C@H](Cc3ccc(C)c(C)c3)SC2=C(C#N)C(=O)Nc2ccc(C)cc2)cc1 2314592572 XXCKQXHDUJUAEQ-SANMLTNESA-N 497.620 5.685 50 10 JKGE CCc1ccc(N2C(=O)[C@H](Cc3ccc(C)cc3)SC2=C(C#N)C(=O)N[C@H](C)c2ccccc2)cc1 2314593895 VOJUBHIPEBONLQ-ZBLYBZFDSA-N 495.648 5.861 50 10 JKGE COC(=O)c1c(NC(=O)C(C#N)=Cc2ccccc2)sc(C)c1-c1ccc(Br)cc1 2314759648 FHAWCSZDDGPLDW-UHFFFAOYSA-N 481.371 5.818 50 10 JKGE CCCc1sc(Br)cc1[C@@H](Br)c1cc(C)sc1Br 2316169216 CKMBHLCLWDVCJC-GFCCVEGCSA-N 473.093 7.080 50 10 JKGE COc1ccc(C=NNC(=O)c2ccc([N+](=O)[O-])cc2)cc1OCc1ccc(Cl)cc1Cl 2321677276 ASMVVVDJUIWDEV-UHFFFAOYSA-N 474.300 5.253 50 10 JKGE COc1ccc(-c2csc(C(C#N)=C(O)c3ccc4c(c3)C(=O)N(CC(C)C)C4=O)n2)cc1 2331273773 RYKLSUMUMFJDNV-UHFFFAOYSA-N 459.527 5.021 50 10 JKGE CCOc1ccc(-c2csc(C(C#N)=C(O)COc3ccc(C)cc3C(C)(C)C)n2)c(OCC)c1 2331386617 SHNXHZYTJZGVMR-UHFFFAOYSA-N 492.641 7.085 50 10 JKGE COc1ccc(-c2csc(C(C#N)=C(O)c3ccc(-c4ccccc4)cc3)n2)c2ccccc12 2331405100 QWSGPJWESNKSBE-UHFFFAOYSA-N 460.558 7.589 50 10 JKGE Fc1cc(Br)c(F)c(Br)c1[C@@H](Br)[C@@H]1C[C@@H]2C[C@@H]2CO1 2334719862 LGGNAJMJLXRCER-FAEGPNRZSA-N 460.938 5.351 50 10 JKGE Brc1ccc(OCc2ccccc2)c([C@H](Br)C2C[C@H]3COC[C@H](C2)C3)c1 2336041371 NKQWNHYZWPWYIG-PNLZDCPESA-N 480.240 6.527 50 10 JKGE Cn1cc(Br)c([C@H](Cl)c2c(Cl)cc(Br)c(F)c2Br)n1 2337084420 LGECUFAJWCMQQJ-SECBINFHSA-N 495.799 5.828 50 10 JKGE Cc1cc(Br)c(F)c(Br)c1[C@H](Br)[C@H](C)C1CCCC1 2339654887 VKRZTIWWKDFXIS-NOZJJQNGSA-N 457.019 6.921 50 10 JKGE Clc1ccc(COc2ccc(Cl)cc2CBr)c(I)c1 2340110970 WNUMNZLPJYHPCK-UHFFFAOYSA-N 471.947 6.072 50 10 JKGE CC[C@@H](Cl)[C@H]1CCCCN1Cc1ccc(I)c(Br)c1 2349829433 NZRBMEPDZHDPHN-UKRRQHHQSA-N 456.593 5.426 50 10 JKGE Brc1cc(CN2[C@H]3CCC[C@@H](Br)[C@H]2CC3)ccc1I 2349842067 MGUWMUYCJGHJBI-YWPYICTPSA-N 499.028 5.334 50 10 JKGE CC(C)(C)CCN(CCBr)Cc1cc(I)ccc1Cl 2352415718 LMXILKQZMVEEKQ-UHFFFAOYSA-N 458.609 5.578 50 10 JKGE Cc1cc(Br)c(C(C)C)cc1[C@@H](Br)c1nscc1Br 2352794505 VCCHLTQPQNDDDJ-CYBMUJFWSA-N 468.052 6.584 50 10 JKGE COc1cccc(OCc2ccc(Cl)c(I)c2)c1CBr 2362428232 SJOHIRNLQHKBDS-UHFFFAOYSA-N 467.528 5.427 50 10 JKGE C[C@@H]1CCC[C@H](CO[C@@](C)(CI)c2ccccc2Br)O1 2364036961 LMLDHRPAPVVOSG-IOASZLSFSA-N 453.158 5.074 50 10 JKGE O=[N+]([O-])c1ccc(Oc2cc(Br)cc(Br)c2)cc1CBr 2364107637 ULFYZIVOSBCEKR-UHFFFAOYSA-N 465.923 5.807 50 10 JKGE Cc1cc(Br)c(F)c(Br)c1[C@@H](Br)[C@@H]1C[C@@H]2O[C@H]1[C@H]1C[C@@H]21 2365189778 YLCRNZLSSFWZDG-HUDUKJJCSA-N 468.986 5.519 50 10 JKGE Cc1cc(Br)c(F)c(Br)c1[C@@H](Br)CC1CC(C(F)F)C1 2365222903 HZGOCQLENOOIPG-HACHORDNSA-N 478.972 6.777 50 10 JKGE C[C@H]1CCC[C@@](CBr)(NC(=O)c2ccc(Cl)cc2I)C1 2365588593 LOMPZEFHAWJXNA-ZUZCIYMTSA-N 470.576 5.018 50 10 JKGE COc1c(F)cc([C@H](Br)c2cc(Cl)ccc2I)cc1F 2370438779 ZDUOSRMLILKECS-ZDUSSCGKSA-N 473.482 5.716 50 10 JKGE ClCCCc1cccc(NCc2ccc(I)c(Br)c2)c1 2377336489 BYECUORURWHURN-UHFFFAOYSA-N 464.572 5.837 50 10 JKGE COc1ccc(-c2nn(-c3ccccc3)cc2/C=C(\C#N)C(=O)Nc2ccc(Cl)cc2)cc1OC 12604182 GOALVXNNSYBCON-XMHGGMMESA-N 484.943 5.756 50 10 JKGE CC(C)(C)c1ccc(OCC(=O)NNC(=O)c2ccc(Cl)cc2Cl)c(C(C)(C)C)c1 14661638 UVYHBKXZMQQPGG-UHFFFAOYSA-N 451.394 5.428 50 10 JKGE CC[C@@H](C)c1ccc(OCC(=O)NNC(=O)c2ccc(-c3ccccc3)cc2)c(Br)c1 14832204 IIURQXZRZFHQDV-QGZVFWFLSA-N 481.390 5.470 50 10 JKGE CCOc1cc(/C=N/NC(=O)CSc2nc3ccccc3s2)ccc1OCc1ccccc1F 32520514 JPNUHJDFKONFCJ-MZJWZYIUSA-N 495.601 5.656 50 10 JKGE N#C/C(=C/c1cc(Br)ccc1OCc1ccc(Cl)cc1Cl)c1nc2ccccc2[nH]1 33399191 LIPWIKXDRPIHKL-SXGWCWSVSA-N 499.195 7.275 50 10 JKGE CCCCOc1ccccc1C(=O)Oc1ccc2c(c1)OC(N)=C(C#N)[C@@H]2c1ccccc1Cl 38651097 FEGWTZZWAMMYGV-RUZDIDTESA-N 474.944 5.956 50 10 JKGE CCCOc1cccc(C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@@H]3c2ccc(CC)cc2)c1 38677454 LRGLMNDKEGZMGO-AREMUKBSSA-N 454.526 5.475 50 10 JKGE Cc1c(C(=O)N2CCCC[C@@H]2C)oc2c1/C(=N/NC(=O)c1ccc(Cl)cc1Cl)CCC2 40813653 ZQQBVYXYRWGREV-WVFAEZDRSA-N 462.377 5.380 50 10 JKGE Cc1ccc(CNC(=O)c2oc3c(c2C)/C(=N/NC(=O)c2ccc(Cl)cc2Cl)CCC3)cc1 40813663 BKXNZPCEZHCJFN-ZTKZIYFRSA-N 484.383 5.604 50 10 JKGE O=C(N/N=C1/C(=O)N(C(c2ccccc2)c2ccccc2)c2ccccc21)c1cc(Cl)ccc1O 59153211 OCCBRUYQBIEUNL-QCWLDUFUSA-N 481.939 5.316 50 10 JKGE CC(C)(C)c1ccc(OCC(=O)N/N=C/c2ccc(Oc3ccc([N+](=O)[O-])cc3[N+](=O)[O-])cc2)cc1 59159109 GBZHPBRASKXGNR-CVKSISIWSA-N 492.488 5.122 50 10 JKGE COc1cc(/C=N\NC(=O)c2ccccc2)ccc1Oc1ccc(C(F)(F)F)cc1[N+](=O)[O-] 59462985 LAUFJTCCGSEDBP-ZMFRSBBQSA-N 459.380 5.178 50 10 JKGE CCOc1cc(/C=C(\C#N)C(=O)Nc2ccccc2C)cc(Br)c1OCc1ccccc1 59474970 RFBXBXBAWHMHNP-FYJGNVAPSA-N 491.385 6.281 50 10 JKGE COc1ccc(/C(C)=N/NC(=O)c2ccc(OCc3ccc(Br)cc3)cc2)cc1 59499236 SRKJBOPOTXDWIT-PCLIKHOPSA-N 453.336 5.191 50 10 JKGE CC1CCC(NC(=O)[C@@H](c2ccc(F)cc2)N(CCc2ccccc2Cl)C(=O)CCl)CC1 97914699 QJDKWQOGOBOWIN-INYXTNAKSA-N 479.423 5.525 50 10 JKGE CCCCCCCOc1ccc(C(=O)NC(=S)NNC(=O)c2ccc(Cl)cc2Cl)cc1 100154383 OXDGJWMYDAVBOA-UHFFFAOYSA-N 482.433 5.292 50 10 JKGE O=Cc1cc([N+](=O)[O-])ccc1OC(=O)c1cc(Br)ccc1OCCc1ccccc1 100220915 YHSMBIRXAMPGMX-UHFFFAOYSA-N 470.275 5.011 50 10 JKGE N#C/C(=C(/O)c1ccc(-c2cc(Cl)ccc2Cl)o1)c1nc(-c2ccc(F)cc2)cs1 100989737 MCLQHFQJWCIBSP-PGMHBOJBSA-N 457.313 7.466 50 10 JKGE CCCCCCCOc1ccc(/C=C(/C#N)C(=O)Nc2ncc(Cc3cccc(Cl)c3)s2)cc1 102958317 MLMHQVPQUQAQBM-JCMHNJIXSA-N 494.060 7.282 50 10 JKGE CCOC(=O)c1c(NC(=O)/C(C#N)=C\c2ccc(-c3ccc(F)cc3)o2)sc2c1CCCC2 103792698 QDVRDTOOYSUANE-SSZFMOIBSA-N 464.518 5.748 50 10 JKGE Fc1ccc(C[C@H](CBr)c2ccc(Br)cc2)cc1Br 118657651 SNENGOLCSHAUDR-GFCCVEGCSA-N 450.971 6.072 50 10 JKGE BrCC(CBr)(Cc1ccccc1)Cc1cc(Br)cs1 118669600 TZCGVMCDSAFDDU-UHFFFAOYSA-N 467.064 6.072 50 10 JKGE Cc1cccc(-n2c([C@@H](C)Cl)nc3cc(I)ccc32)c1Br 131965454 ROEREZOJLGXMMO-SNVBAGLBSA-N 475.555 6.001 50 10 JKGE COc1cc(Br)c([C@@H](Br)c2ccc(C)cc2Br)cc1OC 161436277 FZYUYXCJJNIGRU-INIZCTEOSA-N 479.006 6.022 50 10 JKGE BrCCCCCCCCCCCCCCCCCCCCO[C@H]1CCCCO1 196497148 VFXREZSPMISCOD-RUZDIDTESA-N 461.569 8.946 50 10 JKGE CCCCOc1ccc(/C=C\C(=O)Oc2ccc(/C=C(\C#N)C(=O)OCC)cc2OC)cc1OCC 207294474 MXRARQUDCIWADK-KRTAVAKFSA-N 493.556 5.362 50 10 JKGE N#C/C(=C/N(c1ccccc1)c1ccc(N)cc1)C(=O)Nc1ccc(Cl)c(C(F)(F)F)c1 217250003 ZOHCOPKFRLSEIM-PFONDFGASA-N 456.855 6.125 50 10 JKGE Cc1cc(I)ccc1N/C=C(/C#N)C(=O)NC1CCCCCCCCCCC1 217259736 YZTUXRCHSGMBEM-ZPHPHTNESA-N 493.433 6.209 50 10 JKGE Clc1cccc(Oc2ccc(Br)cc2Br)c1CBr 218321006 NBEIIBUCWGAFHJ-UHFFFAOYSA-N 455.371 6.552 50 10 JKGE BrCc1cc(Br)c(O[C@H]2CCOC3(CCC3)C2)c(Br)c1 232454942 XDGFDWORWJEBBH-NSHDSACASA-N 469.011 5.587 50 10 JKGE CN(C(=O)c1cc(Br)sc1Br)[C@@H]1CCCC[C@H]1Br 234334652 MNSMLEYZKYGJKK-RKDXNWHRSA-N 460.029 5.051 50 10 JKGE COc1cccc(COc2c(Br)cc(CBr)cc2Br)c1 234989637 VBYXOUDUIIVAQD-UHFFFAOYSA-N 464.979 5.694 50 10 JKGE COc1cccc(CN(C(=O)CCl)[C@H](C(=O)N[C@@H]2CCCC[C@H]2C)c2ccc(Cl)cc2)c1 252586913 ULFMPNOQTDYKIO-BSDZUQITSA-N 477.432 5.352 50 10 JKGE CC(C)(C)CC(C)(C)c1ccc(OCC(=O)NN=Cc2cc(Cl)cc(Cl)c2O)cc1 252628946 TVIQIJQWYZLHNX-UHFFFAOYSA-N 451.394 5.942 50 10 JKGE CCCOc1ccc(-c2nn(-c3ccccc3)cc2C=NNC(=O)COc2ccc(C(C)C)cc2)cc1 254866894 VMLUBXDOQZIOIT-UHFFFAOYSA-N 496.611 5.981 50 10 JKGE CCCCCCCCCCCCCC(=O)NN=Cc1ccc(OC(=O)c2ccc(C)cc2)c(OC)c1 254872836 WQODSGXJAVCZFW-UHFFFAOYSA-N 494.676 7.374 50 10 JKGE Cc1cccc([C@H](Br)Cc2c(F)cccc2Cl)c1I 300473615 WPOQZQUZLLWTDR-GFCCVEGCSA-N 453.520 6.071 50 10 JKGE Cl[C@@H](c1cc(Br)sc1Br)c1sccc1I 307236483 GCFJOQBMZZVSBR-ZETCQYMHSA-N 498.430 6.267 50 10 JKGE COc1cc(C)c([C@@H](Br)c2sccc2I)cc1OC 311909826 SBKBUZBSOOMHHC-CYBMUJFWSA-N 453.139 5.163 50 10 JKGE ClCCc1nc2cc(I)ccc2n1-c1cccc(OCc2ccccc2)c1 380342256 VVPZTOQSSFQRFC-UHFFFAOYSA-N 488.756 5.990 50 10 JKGE CC(C)(C)OC(=O)NCCN1CCO[C@H](c2ccccc2CO[Si](C)(C)C(C)(C)C)CC1 616665274 FKAWDUWKPIGLOM-QFIPXVFZSA-N 464.723 5.497 50 10 JKGE Cc1cc(Br)c([C@@H](Br)C[C@@H](C)C(F)(F)F)cc1Br 705455040 MCMGHESRURQTOZ-HQJQHLMTSA-N 452.934 6.545 50 10 JKGE Cl[C@H](c1cc(Br)cc2c1OCC2)c1scc(Br)c1Br 705462660 FYORKHUULZJERC-LLVKDONJSA-N 487.438 6.299 50 10 JKGE Fc1cc(Cl)cc([C@@H](Br)c2cc(Br)ccc2Br)c1F 709209568 CWMDZVZXBUMXBF-LBPRGKRZSA-N 475.352 6.628 50 10 JKGE COc1ccc(C[C@H](Br)c2ccc(I)c(Br)c2)cc1 721574521 ZLJMKUGLQJSVRB-ZDUSSCGKSA-N 495.980 5.741 50 10 JKGE C[C@H]1Cc2cc([C@H](Cl)c3ccc(I)c(Br)c3)ccc2O1 721613315 LAEBCIPTUSZRMX-FVMDXXJSSA-N 463.540 5.705 50 10 JKGE Cc1ccccc1NC(=O)[C@@H](c1cccs1)N(C(=O)CCl)c1cccc(C(F)(F)F)c1 725237440 HIIDPPXMUQTESC-HXUWFJFHSA-N 466.912 6.027 50 10 JKGE Cc1c(Br)c(C=NNC(=O)CSCc2ccccc2Cl)c(C)n1-c1ccccc1 725436730 LLHIQWSUDWGPPU-UHFFFAOYSA-N 490.854 5.894 50 10 JKGE CO[C@H](C(=O)NN=C(C)c1ccc2c(c1)[C@@H]1C=CC[C@@H]1[C@H](c1ccc(F)cc1)N2)c1ccccc1 1083952838 TUSNEIOVYPFCGY-JGPKDBRGSA-N 469.560 5.880 50 10 JKGE COc1ccc(NC(=O)C(=O)NN=Cc2cc(C)n(-c3cccc(Cl)c3Cl)c2C)cc1Cl 1084115177 FDOJAHUBMLKDFK-UHFFFAOYSA-N 493.778 5.152 50 10 JKGE Cc1ccccc1-n1c(C)cc(C=NNC(=O)c2ccc(CSCc3ccccc3)cc2)c1C 1084183446 SXPCYMRXNIGNET-UHFFFAOYSA-N 467.638 6.600 50 10 JKGE Cc1cc(C=NNC(=O)CSc2ccc(Cl)cc2)c(C)n1-c1ccc(Cl)cc1Cl 1084281723 FXWWYPGDRKVGKT-UHFFFAOYSA-N 466.821 6.297 50 10 JKGE Cc1nn(Cc2ccccc2)c(C)c1C=NNC(=O)COc1ccc(C(C)(C)c2ccccc2)cc1 1084301705 CEKSOUBMYNBHDW-UHFFFAOYSA-N 480.612 5.403 50 10 JKGE CC(=NNC(=O)[C@H](C)SCc1ccccc1)c1ccc2c(c1)[C@@H]1C=CC[C@@H]1[C@H](c1ccccc1)N2 1084482366 QIHJRFVCRSSZSP-KLMILLTLSA-N 481.665 6.675 50 10 JKGE C=CCOc1ccc(-n2c(C)cc(C=NNC(=O)CC[C@H](O)c3ccc(OCC)cc3)c2C)cc1 1084596252 BSUZESADNSJAQR-MHZLTWQESA-N 475.589 5.022 50 10 JKGE O=C(COc1ccc(Cl)cc1Br)NN=Cc1ccccc1OCc1ccccc1 1084616172 FBQCSRCYHXNVHA-UHFFFAOYSA-N 473.754 5.211 50 10 JKGE O=C(CSc1nc(-c2ccc(Cl)cc2)cs1)NN=Cc1ccc(Cl)c(Cl)c1 1772755051 JKHOIIFMUNDWMR-UHFFFAOYSA-N 456.807 6.013 50 10 JKGE CCCn1nc(CC)c2c1OC(N)=C(C#N)[C@@H]2c1ccc(OCc2ccc(C)cc2)c(OCC)c1 1865688441 RZRSFACLDRBGHD-VWLOTQADSA-N 472.589 5.360 50 10 JKGE CCCCOc1ccc([C@@H]2C(C#N)=C(N)Oc3c2c(CCC)nn3-c2cccc(Cl)c2)cc1OC 1865696917 LJUUFUZVAMJZRO-XMMPIXPASA-N 493.007 5.884 50 10 JKGE CC(C)Oc1ccccc1[C@@H]1C(C#N)=C(N)Oc2c1c(C(F)(F)F)nn2-c1cccc(Cl)c1 1865704768 DHMAWVVUASKLNK-GOSISDBHSA-N 474.870 5.550 50 10 JKGE CCCn1nc(C(F)(F)F)c2c1OC(N)=C(C#N)[C@@H]2c1ccc(N(CC)Cc2ccccc2)cc1 1865707012 LQDDWIKJMBXNBG-NRFANRHFSA-N 481.522 5.557 50 10 JKGE CC(C)(C)c1ccc([C@H]2CCCN2c2cc(Nc3ccc(SC#N)cc3)nc(C(C)(C)C)n2)cc1 1868342174 MSKPGMVBLRASHR-XMMPIXPASA-N 485.701 7.730 50 10 JKGE CCOc1cc(/C=C(\C#N)c2nc3cc(C)ccc3n2C)ccc1OCc1cccc(Cl)c1 1872728296 WDPTXAVASHNPFJ-FYJGNVAPSA-N 457.961 6.577 50 10 JKGE Cc1cc(OC/C(O)=C(\C#N)c2nc(-c3ccc(Cl)c(Cl)c3)cs2)cc(C)c1Cl 1872748783 NJCQWVRLBLYRDJ-CYVLTUHYSA-N 465.789 7.259 50 10 JKGE CCCOc1ccc(-c2csc(/C(C#N)=C(\O)CCCOc3ccc4ccccc4c3)n2)cc1 1872749105 BCMNSLKDIDEGHK-RFBIWTDZSA-N 470.594 7.404 50 10 JKGE COc1c(Cl)ccc(Cl)c1/C(O)=C(\C#N)c1nc(-c2ccc(Cl)c(Cl)c2)cs1 1872749468 SJEVSEOUTMBPMS-YVLHZVERSA-N 472.180 7.382 50 10 JKGE COc1ccc(-c2csc(/C(C#N)=C(\O)c3cc([N+](=O)[O-])cc([N+](=O)[O-])c3)n2)c(C)c1C 1872754447 SQIZEXMUARSOBM-JZJYNLBNSA-N 452.448 5.202 50 10 JKGE CCOc1ccc(OCC)c(-c2csc(/C(C#N)=C(\O)COc3cc(C)c(Cl)c(C)c3)n2)c1 1872754626 BMHPRWZRSGGUQV-XDOYNYLZSA-N 485.005 6.749 50 10 JKGE CCc1cccc(C)c1N1C[C@H](/C(O)=C(\C#N)c2nc(-c3c(C)cc(C)cc3C)cs2)CC1=O 1872756946 JDDARMZFAYMECL-DKIZWKKFSA-N 471.626 6.452 50 10 JKGE CCCCOc1ccc(/C(O)=C(\C#N)c2nc(-c3cc(Cl)cc(C)c3OC)cs2)cc1OCC 1872757032 NOFCNJOZLYGLQX-GFMRDNFCSA-N 499.032 7.308 50 10 JKGE O=C1c2ccccc2C(=O)N1C[C@H](Br)CCc1ccc(Br)cc1Cl 1905341704 CZWBOKMGBIQVCB-CYBMUJFWSA-N 471.576 5.095 50 10 JKGE FC1(F)CC[C@@H]2[C@H]([C@@H](Br)c3sc(Br)cc3Br)[C@@H]21 1906965125 MBIPAKWWAOAHBI-CNOPELTASA-N 450.968 6.000 50 10 JKGE CC(C)[C@H](CCl)N(Cc1ccccc1)Cc1c(Br)cccc1Br 1915299691 HNDXNNSJLZVEJG-IBGZPJMESA-N 459.653 6.477 50 10 JKGE CCOc1ccc(Br)cc1[C@H](Br)c1cc(C)c(Br)o1 1917594467 FFBBWWYNEQMOCR-ZDUSSCGKSA-N 452.968 5.996 50 10 JKGE Cc1c(Br)sc([C@H](Br)[C@@H]2CCc3ccccc3C2)c1Br 1922881551 IXYCVDINXGSCNN-TZMCWYRMSA-N 479.075 6.823 50 10 JKGE Clc1c(Br)cccc1[C@@H](Cl)c1sc(Br)cc1Br 1922941811 PIWJIZCDTQAWPP-SNVBAGLBSA-N 479.846 7.017 50 10 JKGE Clc1c(Br)sc(Br)c1[C@H](Br)CC1CCCCCC1 1923038436 JILPTGQYHNZDLZ-SECBINFHSA-N 479.503 7.723 50 10 JKGE Cn1nc([C@@H](Br)c2c(Cl)sc(Br)c2Cl)cc1Br 1925557309 YWSMDGBJEGQDOU-ZCFIWIBFSA-N 483.838 5.798 50 10 JKGE Cc1nc([C@H](Br)c2sc(Cl)cc2Br)c(Br)s1 1980615457 QDPGARPZAVTGRI-LURJTMIESA-N 466.445 6.176 50 10 JKGE CC(C)(C)OC(=O)N1CC(N(CCCCCCCCCBr)OCc2ccccc2)C1 1982827448 YRETTWUXPOYKMB-UHFFFAOYSA-N 483.491 6.165 50 10 JKGE COC[C@@H]1C[C@@H]1[C@@H](Cl)c1c(Br)sc(Br)c1Br 1988578662 DVDLHZYKELOXPW-ZVQZEWSASA-N 453.421 5.598 50 10 JKGE Clc1ccc([C@H](Br)Cc2ccccc2I)cc1Cl 2027336682 UYJPSMOXOVIFEU-LLVKDONJSA-N 455.948 6.277 50 10 JKGE Cc1cc(Br)c(C)c([C@H](Cl)c2sncc2Br)c1Br 2081073242 DHNIIMLAUGGDPM-NSHDSACASA-N 474.443 6.376 50 10 JKGE COc1cc(Br)c(C)cc1[C@@H](Cl)c1scc(Br)c1Br 2089725735 QABMTAWHPDAQCK-GFCCVEGCSA-N 489.454 6.681 50 10 JKGE Cc1cc(F)c([C@H](Br)c2c(Br)cccc2Br)cc1Cl 2094094531 CTSNRTWICPFWPC-AWEZNQCLSA-N 471.389 6.797 50 10 JKGE Fc1cc(Br)ccc1[C@H](Br)c1cc(Br)c(Cl)cc1F 2097835170 QKMMFWABFFJUSW-ZDUSSCGKSA-N 475.352 6.628 50 10 JKGE Cc1cc([C@H](Br)c2cc(Br)c3c(c2)CCO3)c(Br)s1 2101001637 SSHNPAHLOZNAME-GFCCVEGCSA-N 467.020 6.001 50 10 JKGE CC(C)(C)OC(=O)NCCCN(C[C@@H](CBr)C1CC1)c1cccc(Br)c1 2106782530 QYEFFQIIHPIYNC-MRXNPFEDSA-N 490.280 5.591 50 10 JKGE C[C@H]1Cc2cc([C@H](Br)c3cc(Br)sn3)cc(Br)c2O1 2120032796 PHYDJTSVGPQAMG-QTTZVWFDSA-N 468.008 5.476 50 10 JKGE Clc1c(Br)sc(Br)c1[C@@H](Cl)c1scc2c1CCCC2 2130575299 BJRLZYFMHHNTIV-SECBINFHSA-N 461.071 7.195 50 10 JKGE Cc1cc(Br)c([C@H](Cl)c2c(Br)nn(C)c2C)cc1Br 2131589945 JSLJMWGCOMAZFW-LBPRGKRZSA-N 471.418 5.653 50 10 JKGE Cc1c(Br)ccc([C@H](Br)[C@@]23CCC[C@H]2OCC3)c1Br 2138865606 MYCKKSTYFPBVND-VHDGCEQUSA-N 453.012 5.915 50 10 JKGE Fc1cc([C@H](Br)c2cc(Br)c3c(c2)CCO3)ccc1Br 2146628742 PDCVVMJEPKSKSK-AWEZNQCLSA-N 464.954 5.770 50 10 JKGE Cc1cc(Br)c([C@H](Br)[C@@]23CCCC[C@@H]2CCC3)cc1Br 2149050062 CMQFFBRKZZLPEF-OAUYIBNBSA-N 465.067 7.317 50 10 JKGE O=C(N[C@@H](CBr)Cc1ccccc1)c1csc(Br)c1Br 2150345014 YABKZMFQWZBFFT-SNVBAGLBSA-N 482.035 5.009 50 10 JKGE Cc1cc([C@@H](Br)c2cc3c(cc2Br)NC(=O)C3)c(Br)s1 2157249001 OESBBRVIOSVNBT-ZDUSSCGKSA-N 480.019 5.560 50 10 JKGE CCc1occ(C)c1[C@H](Br)c1c(C)c(Br)cc(C)c1Br 2201066997 GWILNAYPDQCHDZ-INIZCTEOSA-N 465.023 6.777 50 10 JKGE Cc1cc(Br)c(C)c([C@H](Br)[C@@]23COC[C@@H]2C3(F)F)c1Br 2201074264 ANHFWMQAHHWWLY-TVYUQYBPSA-N 474.965 5.546 50 10 JKGE Cc1ccc(C(=O)N(Cc2ccccc2)[C@H](C)CCBr)cc1I 2210202206 UNVLSPFRSYAHHG-OAHLLOKOSA-N 486.191 5.416 50 10 JKGE Cc1c(Br)sc([C@H](Br)c2ccc(OCc3ccccc3)cc2)c1C 2213632135 YCBUFUCYQRXIHC-GOSISDBHSA-N 466.238 7.191 50 10 JKGE FC(F)(F)[C@@H]1CC[C@@H]1[C@@H](Br)c1c(Br)sc(Br)c1Cl 2217676636 SBBDLAAFSGSVON-MRKVFDINSA-N 491.392 6.951 50 10 JKGE CN(CCCn1c(CCl)nc2cc(Br)c(Br)cc21)Cc1ccccc1 2218660122 RFNBAPLZHABFEA-UHFFFAOYSA-N 485.651 5.822 50 10 JKGE CCc1ccc([C@H](Br)c2c(Br)cc(Cl)c(Cl)c2Cl)s1 2224302045 HQIBJWHQPNREQF-NSHDSACASA-N 463.449 7.518 50 10 JKGE Cc1ccc([C@@H](Br)[C@H](C)c2ccncc2Br)cc1I 2224618660 MPGIXVJJRARWDW-BMIGLBTASA-N 494.996 5.997 50 10 JKGE Cc1ccc([C@@H](Br)c2ccc(F)c(Cl)c2F)cc1I 2224624837 DFVGPWKTPAWYDK-GFCCVEGCSA-N 457.483 6.016 50 10 JKGE Cc1sc(Br)c([C@@H](Br)c2ccc3c(c2Br)CCO3)c1C 2238065939 GNIILLOGPXCMDG-AWEZNQCLSA-N 481.047 6.309 50 10 JKGE CS(=O)(=O)c1csc([C@@H](Br)c2scc(Br)c2Cl)c1 2253598077 IOQXFDYIPMFCDK-MRVPVSSYSA-N 450.626 5.113 50 10 JKGE CS(=O)(=O)c1csc([C@H](Br)c2scc(Br)c2Cl)c1 2253598078 IOQXFDYIPMFCDK-QMMMGPOBSA-N 450.626 5.113 50 10 JKGE COc1ccc(Br)cc1[C@H](Br)c1scc(Br)c1Cl 2253605543 WWACCRLJTCFAOR-JTQLQIEISA-N 475.427 6.419 50 10 JKGE Clc1ccc(CBr)c(Oc2cc(I)ccc2Cl)c1 2259930013 IMEMNSQFRQYFIA-UHFFFAOYSA-N 457.920 6.285 50 10 JKGE COc1c([C@@H](Cl)c2csc(I)c2)cc(Br)c(C)c1C 2269161189 BWOQCHVRBLBHDK-ZDUSSCGKSA-N 471.585 6.069 50 10 JKGE Clc1ccc(I)c([C@H](Br)c2ccc(C3CCC3)s2)c1 2271972684 IQVDCCSIKDLBED-HNNXBMFYSA-N 467.597 6.758 50 10 JKGE Fc1cc(Br)c(F)c(Br)c1[C@H](Br)CC1C[C@H]2C[C@@H]2C1 2272723619 ZXYLIQBQHLUBPK-XHNCKOQMSA-N 458.966 6.362 50 10 JKGE O=C(N[C@@H](CCBr)C1CCCC1)c1ccc(Cl)c(I)c1 2283651209 DKLYSGIYFKUIKL-AWEZNQCLSA-N 470.576 5.018 50 10 JKGE Fc1cc(Br)c(F)c(Br)c1[C@H](Br)C[C@@H]1CCC[C@H]2C[C@@H]12 2288360674 YTPLQZUJEATPOX-AXTSPUMRSA-N 472.993 6.752 50 10 JKGE Cc1ccc(N2C(=O)[C@@H](Cc3cccc(Cl)c3)SC2=C(C#N)C(=O)NCc2ccccc2)cc1 2293038896 GBRMGPJFCNTXRK-XMMPIXPASA-N 488.012 5.391 50 10 JKGE COc1cc(C=C(C#N)S(=O)(=O)c2ccc(Cl)cc2)ccc1OCc1ccccc1F 2293190883 NWEIFNWKTPXHTJ-UHFFFAOYSA-N 457.910 5.405 50 10 JKGE CCOc1ccc(NC(=O)C(C#N)=Cc2cc(C)n(-c3ccc(Cl)c(C(=O)O)c3)c2C)cc1 2294146962 LDNLSCAYMQHDFU-UHFFFAOYSA-N 463.921 5.390 50 10 JKGE COc1c(C)cc(C)cc1[C@@H](Br)c1cc(Br)cc(Br)c1 2295300814 DEIYLYCQVGCCGR-HNNXBMFYSA-N 463.007 6.321 50 10 JKGE COc1cccc(F)c1[C@H](Br)Cc1cc(Br)cc(Br)c1 2295344906 FRXUKJCEHDVJTL-GFCCVEGCSA-N 466.970 6.038 50 10 JKGE N#CC(=CNc1ccc(Cl)cc1)c1nc(-c2cc3cc(Br)ccc3oc2=O)cs1 2295887814 BESGASZQRDHLCG-UHFFFAOYSA-N 484.762 6.309 50 10 JKGE CCOC(=O)c1c(-c2ccc(OC)cc2)csc1NC(=O)C(C#N)=Cc1ccccc1Cl 2296500295 BQKQLHVLPUSRBJ-UHFFFAOYSA-N 466.946 5.799 50 10 JKGE CCOC(=O)c1c(NC(=O)C(C#N)=Cc2ccc([C@@H]3C[C@@H]3c3ccccc3)o2)sc2c1CCCC2 2296835655 JRDZYPFABDSMFB-FGZHOGPDSA-N 486.593 6.213 50 10 JKGE FC(F)(F)CCC[C@@H](Br)c1ccc(OCc2ccccc2)cc1Br 2299535051 KTSLFKTWTBCYJK-MRXNPFEDSA-N 466.135 7.197 50 10 JKGE Cc1sc(Br)c(C(=O)N[C@H](CCBr)COCc2ccccc2)c1C 2303545028 LZJSXHFKLBDCDP-OAHLLOKOSA-N 475.246 5.228 50 10 JKGE Brc1cc(C[C@@H]2CCCC[C@@H](Br)C2)ccc1I 2306200026 SLTQLUPJFAEJIT-CMPLNLGQSA-N 472.002 5.940 50 10 JKGE COC(=O)c1c(N=Cc2cc(Br)c(OC)cc2OC)sc(C(C)=CC#N)c1C 2313517482 YAOKOQOKWBXXRX-UHFFFAOYSA-N 463.353 5.300 50 10 JKGE Cc1cc(C=C(C#N)C(=O)Nc2cccc(Cl)c2Cl)c(C)n1-c1ccccc1C(=O)O 2313570950 JVQOHUDEBGOHQA-UHFFFAOYSA-N 454.313 5.645 50 10 JKGE Clc1ccc(C[C@H](CBr)Cc2sccc2I)cc1 2316737666 ZRQSHYKBHANLPE-NSHDSACASA-N 455.586 5.802 50 10 JKGE O=C(NN=Cc1cccc(OCc2ccc(Cl)cc2)c1)c1ccc2[nH]c3c(c2c1)CCCC3 2323149735 LLFDJONBVHQKHS-UHFFFAOYSA-N 457.961 6.043 50 10 JKGE FC1(F)CCC[C@@H](Cc2ccc(I)c(Br)c2)[C@H]1Br 2325209056 KYOQUNNBZSCGKS-JOYOIKCWSA-N 493.955 5.795 50 10 JKGE Cc1c(Br)sc([C@H](Br)[C@@H]2[C@@H]3[C@H]2CCCC3(F)F)c1Br 2330161321 UEBIRUNNZMFVDF-AZQAYCESSA-N 479.022 6.699 50 10 JKGE COc1ccc(C=C(C#N)c2nc3ccc(C)cc3[nH]2)cc1OCc1ccc(Cl)c(Cl)c1 2331018348 OBVQLBDDRUFOCQ-UHFFFAOYSA-N 464.352 6.830 50 10 JKGE CCc1ccc(OCCCC(O)=C(C#N)c2nc(-c3cc(C(C)C)c(OC)cc3C)cs2)cc1 2331355984 ABPRAANIUQRGJB-UHFFFAOYSA-N 476.642 7.465 50 10 JKGE CCOc1ccc(-c2csc(C(C#N)=C(O)Cc3ccc(OC)cc3OC)n2)c(OCC)c1 2331386970 JJFQSTDVPAMGSQ-UHFFFAOYSA-N 466.559 5.660 50 10 JKGE COc1ccc(C=CC(O)=C(C#N)c2nc(-c3ccc(OC)c4ccccc34)cs2)c(OC)c1 2331406465 PLPKXBDXVUNQMG-UHFFFAOYSA-N 470.550 6.495 50 10 JKGE COc1cc(C=C(C#N)c2nc(-c3cccc(Cl)c3)cs2)ccc1OCc1ccccc1 2331439846 UZSPDYWRYUBVDE-UHFFFAOYSA-N 458.970 7.115 50 10 JKGE Brc1ccc(OCc2ccccc2)c([C@@H](Br)[C@H]2C[C@@H]2c2ccccc2)c1 2336039881 ARBDETJRVRMZOX-QTEQDKRBSA-N 472.220 7.268 50 10 JKGE CCCCCCCCC[C@H](Br)c1ccc(OCc2ccccc2)cc1Br 2336051995 WZUANGAZANSEGB-QFIPXVFZSA-N 482.300 8.605 50 10 JKGE Fc1c(Br)cc(Cl)c([C@H](Cl)CC(F)(F)C(F)F)c1Br 2337089325 XTZNRUSCPWYCJK-RXMQYKEDSA-N 450.854 6.575 50 10 JKGE Cc1c(F)ccc([C@H](Cl)c2c(Br)sc(Br)c2Cl)c1Cl 2338566037 HXDUWWLZTABBNN-VIFPVBQESA-N 467.412 7.356 50 10 JKGE Cc1cc(Br)c(F)c(Br)c1[C@H](Br)C[C@@]12CCC[C@@H]1C2 2339655082 CLVHRUAZGSDDDS-OSQNNJELSA-N 455.003 6.675 50 10 JKGE Cc1cc(Br)c(F)c(Br)c1[C@@H](Br)[C@@H]1CC12CCCC2 2339682403 RVOPBAFODYLFCF-CABZTGNLSA-N 455.003 6.675 50 10 JKGE ClC[C@@H](Cc1ccc(Cl)cc1I)c1ccccc1Br 2341053381 XUYVBKPEWKYANU-LLVKDONJSA-N 469.975 6.272 50 10 JKGE Brc1cc(C[C@@H]2C[C@H](Br)CC3(CCC3)C2)ccc1I 2349808265 LGVKYHDQESKRHI-OLZOCXBDSA-N 498.040 6.330 50 10 JKGE CN(CC[C@@H](Br)c1cccs1)Cc1c(Br)cccc1Br 2366195187 CNPXXJJHIMDZMU-CQSZACIVSA-N 482.079 6.231 50 10 JKGE BrCC1C[C@@H]2C[C@H](C1)CN(Cc1cc(Br)ccc1Br)C2 2368386817 AZKWBXXTZFSUBK-YHWZYXNKSA-N 466.055 5.455 50 10 JKGE CCc1cc(Br)c(OC)c([C@@H](Br)c2cc(C)c(Br)o2)c1 2381259161 ZYNSKVYWXORQHA-CYBMUJFWSA-N 466.995 6.168 50 10 JKGE CC(C)C[C@H](CBr)CN1CCN(C(=O)OC(C)(C)C)[C@@H](C)C[C@H]1C(F)(F)F 2382180262 BVKVDAUZWYMYSS-XHSDSOJGSA-N 459.391 5.306 50 10 JKGE O=C(COc1ccc2cc(Br)ccc2c1Br)N/N=C/C=C/c1ccccc1 13631762 UXPIHDFFISYSLE-NTJMOUOKSA-N 488.179 5.559 50 10 JKGE CCCCCCOc1ccc(Br)cc1C(=O)NNC(=O)COc1ccc(C(C)C)cc1 14648245 SXYQNDXAYKJHIW-UHFFFAOYSA-N 491.426 5.372 50 10 JKGE CCOc1ccc(/C=C(/C#N)C(=O)Nc2ncc(Cc3cccc(Cl)c3Cl)s2)cc1 34688329 JCRKXOZOUWRCNU-YBEGLDIGSA-N 458.370 5.985 50 10 JKGE CCSc1ccc(-c2nn(-c3ccccc3)cc2/C=C(\C#N)S(=O)(=O)c2ccc(C)cc2)cc1 35445861 UEJBFSBZGQRWJI-YZSQISJMSA-N 485.634 6.298 50 10 JKGE CCOc1ccc(-c2nn(-c3ccccc3)cc2/C=C(/C#N)C(=O)Nc2ccc(C)cc2)cc1Cl 35447279 GFUNUPRGOIEJAZ-QNGOZBTKSA-N 482.971 6.446 50 10 JKGE COc1ccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)Cc4cccc5ccccc45)ccc32)cc1 38650361 COXZTFVDZVKUKB-MUUNZHRXSA-N 462.505 5.215 50 10 JKGE CCCCCOc1ccc(C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@@H]3c2ccccc2F)cc1 38652052 MALAHSFPFLUILG-AREMUKBSSA-N 472.516 5.832 50 10 JKGE CCCCOc1ccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)Cc4ccccc4)ccc32)cc1OC 38660205 IDVGSUSECCJDFR-MUUNZHRXSA-N 484.552 5.240 50 10 JKGE C=CCOc1cccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4cccc(Cl)c4)ccc32)c1 38684591 OTSLUBKCQJLJKG-DEOSSOPVSA-N 458.901 5.342 50 10 JKGE COc1ccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4oc5ccc(C)cc5c4C)ccc32)cc1 40530353 SCHLSVQVVYMWJE-RUZDIDTESA-N 466.493 5.496 50 10 JKGE Cc1c(C(=O)Nc2ccc(F)cc2)oc2c1/C(=N/NC(=O)c1ccc(Cl)cc1Cl)CCC2 40813732 VNOLSCJVMAJHSW-MTDXEUNCSA-N 474.319 5.757 50 10 JKGE O=C(N/N=C(/CSc1nc2ccccc2[nH]1)c1ccc2ccccc2c1)c1ccccc1O 59460782 YBNRIOZPASGIBT-FAJYDZGRSA-N 452.539 5.348 50 10 JKGE CCCC[C@@H](CC)CN(C(=O)CCl)[C@H](C(=O)NC1CCCCC1)c1ccc(OC)cc1 97914334 UNNKODKAFZVWCT-DVECYGJZSA-N 451.051 5.469 50 10 JKGE C[C@@H]1CCCC[C@H]1NC(=O)[C@@H](c1ccccc1Cl)N(C(=O)CCl)c1ccc(F)cc1 97914411 ALPWTEAKOMOWJK-RBQRDFNRSA-N 451.369 5.487 50 10 JKGE Clc1cc(Cl)cc([C@H](Br)c2cc3c(cc2Br)OCCO3)c1 109865735 OANVZGSXTIDTKR-HNNXBMFYSA-N 452.957 6.011 50 10 JKGE BrCC(CBr)(Cc1sccc1Br)c1ccccc1 118670619 DIXYRGCCISYRKW-UHFFFAOYSA-N 453.037 5.781 50 10 JKGE CCOc1ccc([C@@H](Br)c2sccc2Br)c(Br)c1 126693910 YCRDRKXUIYRXAX-GFCCVEGCSA-N 455.009 6.156 50 10 JKGE Fc1ccc([C@@H](Br)c2cc(Br)ccc2Br)c(F)c1F 127326045 LIMBPXLWBUOCFT-LLVKDONJSA-N 458.897 6.113 50 10 JKGE COc1c(Br)cc(Cl)cc1[C@H](Br)c1ccc(Br)c(C)c1 137891466 VCEQMWCJTKVXJC-CQSZACIVSA-N 483.425 6.666 50 10 JKGE CCCOc1ccc(/C=N\NC(=O)c2ccc3[nH]c(Cc4ccccc4)nc3c2)cc1OCC 169925673 WFSNSPMBSJYVMQ-VEILYXNESA-N 456.546 5.105 50 10 JKGE O=C(Cl)/C=C/c1cc(Cl)c(OCc2ccc(Cl)cc2Cl)c(Br)c1 226341393 RSBQAADAKWLGNB-DAFODLJHSA-N 454.962 6.767 50 10 JKGE CC(C)(C)c1ccc([C@@H](Br)c2cc(Br)sc2Br)s1 232560784 RQRIWGPYEAACLR-NSHDSACASA-N 473.093 7.116 50 10 JKGE COc1ccc(Br)cc1[C@@H](Cl)c1cc(Br)sc1Br 234844474 UWIVXOYPHAKXNH-LLVKDONJSA-N 475.427 6.372 50 10 JKGE ClCc1cc(Br)c(OCc2ccc(Br)s2)c(Br)c1 236020529 VJMURLOSRSRRMN-UHFFFAOYSA-N 475.427 6.353 50 10 JKGE COc1ccccc1/C=C\C=NNC(=O)CSc1nnc(-c2ccc(C)cc2)n1C1CCCCC1 254812731 VDVODOZOOAFOND-LOXSMSKDSA-N 489.645 5.675 50 10 JKGE CC(C)(C)OC(=O)N1CCC[C@@](CI)(OCc2cccc(Cl)c2)C1 303741834 PYFVEWZDXSRMCN-SFHVURJKSA-N 465.759 5.061 50 10 JKGE COc1ccc(Br)cc1[C@H](Br)c1cc(Br)c(C)s1 310629013 LZUUDNTXSNRSIJ-ZDUSSCGKSA-N 455.009 6.074 50 10 JKGE C[C@@H](Cn1c(CCl)nc2cc(I)c(F)cc21)N(C)Cc1ccccc1 390481988 LUCMKFYDWYACOP-ZDUSSCGKSA-N 471.745 5.039 50 10 JKGE Fc1cc(Br)c([C@H](Br)c2cccc(OCc3ccccc3)c2)c(F)c1F 398507205 FBZYEPXKPNPZNK-GOSISDBHSA-N 486.125 6.930 50 10 JKGE Clc1cc([C@H](Cl)c2csc(I)c2)c(Cl)c(Cl)c1Cl 404654692 STHMSBOLTXEAOG-MRVPVSSYSA-N 472.389 7.295 50 10 JKGE COc1ccc(C2=NO[C@](C)([C@H]3CC=C(C)C(=NNC(=O)c4cc5cc(F)ccc5[nH]4)C3)C2)cc1 575118850 KTLIHWUTBYFXDM-PPHZAIPVSA-N 474.536 5.341 50 10 JKGE COCc1cc(Br)c([C@H](Cl)c2ccc(F)cc2I)s1 688078192 FCOBCGJBDREYLC-GFCCVEGCSA-N 475.548 5.729 50 10 JKGE COCc1cc(Br)c([C@H](Br)c2ccc(F)cc2Br)s1 688146433 PDUWFPMKXIRXQE-GFCCVEGCSA-N 472.999 6.043 50 10 JKGE CO[C@@](C)(COCc1ccccc1)Cn1c([C@@H](C)Cl)nc2cccc(Br)c21 702790050 NBWYEDJHPDBBMH-QVKFZJNVSA-N 451.792 5.721 50 10 JKGE CC1(C)COc2ccc([C@H](Br)c3scc(Br)c3Br)cc21 705462387 FTBGNNLQEORZNF-LBPRGKRZSA-N 481.047 6.427 50 10 JKGE BrCc1cc(Br)c(OC[C@@H]2CCC3(CCC3)O2)c(Br)c1 712407415 MZRWEZILLVTTEL-NSHDSACASA-N 469.011 5.587 50 10 JKGE Cn1cc(COc2c(Br)cc(CCl)cc2Br)c(Br)n1 714080722 NMGYXNYNTXJKOS-UHFFFAOYSA-N 473.390 5.025 50 10 JKGE C[C@H]1Cc2cc(Br)cc([C@@H](Br)c3ccc(Br)o3)c2O1 720030614 FALSMSVUOPUIDM-WPPNPWJKSA-N 450.952 5.612 50 10 JKGE C[C@@H]1Cc2cc(Br)cc([C@H](Cl)c3cccc(I)c3)c2O1 720126091 SEXBOBHTMFKQSN-RFAUZJTJSA-N 463.540 5.705 50 10 JKGE CC(C)(C)c1ccc([C@@H](Cl)c2ccc(I)c(Br)c2)cc1 721571207 DALNDQBHPRJILC-MRXNPFEDSA-N 463.584 6.679 50 10 JKGE Fc1cccc([C@@H](Br)c2cc(Cl)sc2Cl)c1I 721672976 POFNLLNLVKMECR-SECBINFHSA-N 465.940 6.283 50 10 JKGE Cc1ccc(Br)c([C@H](Br)c2sc(C)c(Br)c2C)c1 724928423 MPJRHINNIBYFJO-ZDUSSCGKSA-N 453.037 6.683 50 10 JKGE CCCCCCOc1ccc([C@@H]2CN(C(=O)OC(C)(C)C)C[C@H]2CI)cc1 725431391 VWVAWKLPFLTZFS-QUCCMNQESA-N 487.422 6.031 50 10 JKGE CCc1cc([N+](=O)[O-])ccc1-c1ccc(/C=C(/C#N)C(=O)Nc2ccc(Br)cc2)o1 1084288632 OPVCWDJEJYVGDE-QINSGFPZSA-N 466.291 5.725 50 10 JKGE C=CCc1cc(C=NNC(=O)CC[C@@H](O)c2ccccc2)cc(OC)c1OCc1cccc(C)c1 1084557416 LHPCHJLSIWRGFA-AREMUKBSSA-N 472.585 5.275 50 10 JKGE Cc1ccccc1OCC(=O)NN=Cc1c(Br)c(C)n(-c2ccccc2C)c1C 1084616205 RUHWDIVHSYTFGZ-UHFFFAOYSA-N 454.368 5.003 50 10 JKGE COc1ccc(/C(C#N)=C/c2cccc(OC(=O)c3cc(C(F)(F)F)cc(C(F)(F)F)c3)c2)cc1 1615066482 GPTDBYTVKUPYEU-GIJQJNRQSA-N 491.387 7.016 50 10 JKGE Cc1ccccc1C(=O)NN=C1CCCc2oc(C(=O)Oc3ccc(Cl)cc3Cl)c(C)c21 1772744088 SGDAYACLFPRLHB-UHFFFAOYSA-N 471.340 5.893 50 10 JKGE Cc1c(C(=O)Oc2ccc(F)cc2)oc2c1C(=NNC(=O)c1ccccc1Br)CCC2 1772745996 NNLUEHLXSWPVNG-UHFFFAOYSA-N 485.309 5.179 50 10 JKGE Cc1c(C(=O)NCCc2ccccc2)oc2c1C(=NNC(=O)c1ccc(Cl)cc1Cl)CCC2 1772747113 DWMBIKFVHRYWAV-UHFFFAOYSA-N 484.383 5.338 50 10 JKGE COc1cc(C=NNC(=O)COc2c(C)cccc2C)ccc1OCc1c(Cl)cccc1Cl 1772754031 NRWSSJRSVYRDQB-UHFFFAOYSA-N 487.383 5.727 50 10 JKGE O=C(CSc1nc(-c2ccc(Cl)cc2)cs1)NN=Cc1c(Cl)ccc(Cl)c1Cl 1772754948 BVJNJPZXINMHPX-UHFFFAOYSA-N 491.252 6.666 50 10 JKGE CCCc1nn(Cc2ccc(Cl)c(Cl)c2)c2c1[C@@H](c1cccc(OC)c1O)C(C#N)=C(N)O2 1865683224 ATSXHFDVSDLVNH-FQEVSTJZSA-N 485.371 5.123 50 10 JKGE CCCCOc1ccc([C@H]2C(C#N)=C(N)Oc3c2c(-c2ccccc2)nn3Cc2ccc(C)cc2)cc1 1865689921 GKUKZNWCGBPLMA-MHZLTWQESA-N 490.607 6.304 50 10 JKGE COc1ccc(OC)c([C@H]2C(C#N)=C(N)Oc3c2c(-c2ccccc2)nn3-c2ccc(C)cc2)c1 1865692865 PQCBTINWIVVMSN-DEOSSOPVSA-N 464.525 5.083 50 10 JKGE CCCc1nn(Cc2cccc(Cl)c2)c2c1[C@H](c1cccc(OC)c1OCC)C(C#N)=C(N)O2 1865693531 OWPCDLDETCXQGJ-JOCHJYFZSA-N 478.980 5.163 50 10 JKGE CCCOc1ccc([C@@H]2C(C#N)=C(N)Oc3c2c(C(F)(F)F)nn3Cc2ccccc2F)cc1 1865694045 ONZWYKNEIPGYCM-LJQANCHMSA-N 472.442 5.096 50 10 JKGE COc1ccc(-c2nn(Cc3ccc(Cl)cc3)c3c2[C@@H](c2sccc2C)C(C#N)=C(N)O3)cc1 1865698914 GBIBLRPGDQANSO-NRFANRHFSA-N 489.000 5.849 50 10 JKGE COc1ccc(-c2nn(C)c3c2[C@@H](c2ccc(OCc4ccccc4C)cc2)C(C#N)=C(N)O3)cc1 1865703459 VYBZBJJPXZRNML-VWLOTQADSA-N 478.552 5.201 50 10 JKGE CCCc1nn(-c2cccc3ccccc23)c2c1[C@H](c1cc(OC)c(OC)cc1OC)C(C#N)=C(N)O2 1865710902 LBQWALKOJYVRMD-AREMUKBSSA-N 496.567 5.222 50 10 JKGE Cc1nc(-c2ccc(Cl)c(Cl)c2)ccc1C(=O)NNC(=O)C12CC3CC(CC(C3)C1)C2 1865759015 DUOIDETYIWVVIR-UHFFFAOYSA-N 458.389 5.341 50 10 JKGE COc1ccc2[nH]cc(/C=N\NC(=O)c3ccc(-c4ccc(Cl)c(Cl)c4)nc3C)c2c1 1865762567 ORFVBAJVDAISCD-PPDIBHTLSA-N 453.329 5.618 50 10 JKGE COc1ccc(-c2csc(/C(C#N)=C(\O)CNC(=O)c3ccc(Cl)cc3Cl)n2)cc1C 1872745099 WAMNLGCZBUOTCZ-MNDPQUGUSA-N 474.369 5.657 50 10 JKGE COc1ccc(-c2csc(/C(C#N)=C(\O)[C@H](C)Oc3ccc(Cl)cc3Cl)n2)cc1C 1872746804 ZAQPTBKEZPFHMD-JPDJOPTESA-N 461.370 6.694 50 10 JKGE COc1ccccc1-c1csc(/C(C#N)=C(\O)[C@H](CCSC)N2C(=O)c3ccccc3C2=O)n1 1872747025 KNAXWNPWNADQNM-XLIXHQMESA-N 491.594 5.029 50 10 JKGE COc1ccc(C(C)(C)C)cc1-c1csc(/C(C#N)=C(\O)COc2ccc(C)cc2C(C)(C)C)n1 1872751710 SQMWPANLLCPYPO-FLFQWRMESA-N 490.669 7.594 50 10 JKGE Cc1cc(OCCC/C(O)=C(\C#N)c2nc(-c3cccc4ccccc34)cs2)cc(C)c1Cl 1872752149 OXWDPAXILFKEHO-BZZOAKBMSA-N 475.013 7.885 50 10 JKGE CCCOc1c(/C=C(\C#N)c2nc(-c3cc(Cl)cc(C)c3OC)cs2)cccc1OC 1872794170 MZFXUMRRAUINTL-GZTJUZNOSA-N 454.979 6.642 50 10 JKGE C[C@H](Oc1ccc(Cl)cc1Cl)/C(O)=C(\C#N)c1nc(-c2cccc([N+](=O)[O-])c2)cs1 1873940966 PSBNDVBXMCIERJ-HSHIVQNRSA-N 462.314 6.285 50 10 JKGE O=C(N[C@H](CCBr)COCc1ccccc1)c1cc(Br)c(Cl)s1 1902775142 BHPMBKHWNDCFCP-GFCCVEGCSA-N 481.637 5.264 50 10 JKGE C[C@](CBr)(Cc1ccc(I)c(Br)c1)C1CC1 1904346275 PEKHOUPIQILDJI-CYBMUJFWSA-N 457.975 5.407 50 10 JKGE Fc1cc(Br)c2nc(CCl)n([C@H]3CCOC[C@@H]3OCc3ccccc3)c2c1 1912679487 DYKRYBHRXZVROM-WMZOPIPTSA-N 453.739 5.224 50 10 JKGE CC1(C)C[C@H](N(Cc2ccccc2)S(=O)(=O)c2cc(CCl)sc2Br)CO1 1915475514 AYFOFYUAFJKWMB-AWEZNQCLSA-N 478.861 5.008 50 10 JKGE Cl[C@@H](c1ccccc1OCc1ccccc1)c1sc(Br)cc1Br 1922883259 MIBVKOGGKHYIHU-KRWDZBQOSA-N 472.629 7.180 50 10 JKGE Cc1c(Br)sc([C@@H](Br)c2cc(F)c(Cl)cc2F)c1Br 1922884597 SCIOJEOXLZOVAV-JTQLQIEISA-N 495.408 6.997 50 10 JKGE Cc1sc(Br)c([C@H](Cl)c2sc(Br)cc2Br)c1C 1951017368 AGIXIIQNINJICQ-VIFPVBQESA-N 479.484 7.042 50 10 JKGE CCOc1ccc([C@@H](Br)c2scc(Br)c2Br)s1 2026379442 YKJQJHRAFOAQIE-SNVBAGLBSA-N 461.038 6.218 50 10 JKGE Clc1cc(CNCCCCCCI)ccc1I 2026561589 TYOACKPEYWYFPN-UHFFFAOYSA-N 477.555 5.030 50 10 JKGE Clc1c(Br)ccc(CBr)c1N1CCCN(Cc2ccccc2)CCC1 2036846784 YXHIDGJBCUPWCD-UHFFFAOYSA-N 486.679 6.100 50 10 JKGE C[C@@H](CCCCCBr)NC(=O)c1cc(Br)sc1Br 2054160804 GOBWURFWBGXXKL-QMMMGPOBSA-N 462.045 5.347 50 10 JKGE Cc1c(Br)sc([C@H](Br)C[C@@H]2C[C@@H]2C(F)(F)F)c1Br 2065505371 KLNPGWYBBBDTEK-LYFYHCNISA-N 470.974 6.606 50 10 JKGE COc1cc([C@H](Br)c2cc(Cl)c(Br)s2)ccc1Br 2072060287 BQMVQSZICKYRAN-NSHDSACASA-N 475.427 6.419 50 10 JKGE CC1(C)CC[C@H](CBr)N1C(=O)c1cc(Br)sc1Br 2084951545 NQHRJCOMZPTJSB-SSDOTTSWSA-N 460.029 5.051 50 10 JKGE FC1CCC(COc2c(Br)cc(CBr)cc2Br)CC1 2092995147 MLJLRHIGTWARPL-UHFFFAOYSA-N 458.991 6.014 50 10 JKGE CCC(CC)N(CCBr)C(=O)c1c(Br)cccc1Br 2094088886 QCDQYNZZFZEIDR-UHFFFAOYSA-N 456.016 5.237 50 10 JKGE CC(C)CN1C[C@@H](Br)[C@H](Cc2ccc(Br)cc2Br)C1 2100722713 MXKMJUDAOMIERH-IUODEOHRSA-N 454.044 5.105 50 10 JKGE Cc1c(Br)sc([C@@H](Br)C2CC3(C2)CC(F)(F)C3)c1Br 2102619171 DICZQHIQCOKGMQ-VIFPVBQESA-N 479.022 6.843 50 10 JKGE C[C@H]1CC[C@@H](CCOc2c(Br)cc(CBr)cc2Br)O1 2104838438 SVBDYDPIQVSFLZ-ONGXEEELSA-N 457.000 5.443 50 10 JKGE CN(Cc1c(Br)cccc1Br)[C@@H]1CCCCC[C@@H]1Br 2115915203 PYSHJOIMQCPKIF-LSDHHAIUSA-N 454.044 5.740 50 10 JKGE Fc1cc(F)c([C@@H](Br)c2cc(Br)ccc2Br)cc1Cl 2122790881 OVSYBIDKMRVKTM-ZDUSSCGKSA-N 475.352 6.628 50 10 JKGE O=C(NCC[C@H]1CCCC[C@@H]1Br)c1scc(Br)c1Br 2123028600 PWSJYWQZJVJKHO-BDAKNGLRSA-N 474.056 5.347 50 10 JKGE Clc1c(Br)ccc(CBr)c1OCc1ccc(Br)cc1 2135982472 GIAHLXGOJKVABZ-UHFFFAOYSA-N 469.398 6.339 50 10 JKGE C[C@@]1(COc2c(Br)cc(Br)cc2CBr)CSCCO1 2136554714 MPLWXLPHZBOUGZ-CYBMUJFWSA-N 475.040 5.007 50 10 JKGE C[C@@]1(COc2c(Br)cc(CBr)cc2Br)CSCCO1 2136555562 QOODPGWGBSEBIO-CYBMUJFWSA-N 475.040 5.007 50 10 JKGE Cc1cc(Cl)c(Br)cc1[C@@H](Br)c1cccc(C)c1Br 2137643974 WNJXOQXQMNCIRH-HNNXBMFYSA-N 467.426 6.966 50 10 JKGE Cc1c(Br)ccc([C@H](Br)C[C@@H]2CCC[C@H]3C[C@@H]23)c1Br 2138852029 MFUKLLSXEWCDHY-HTTKSJEASA-N 451.040 6.782 50 10 JKGE C[C@]1([C@@H](Br)c2ccc(Br)cc2Br)CCCC(F)(F)C1 2138871700 OWTBEDJHKMIBIV-STQMWFEESA-N 460.982 6.863 50 10 JKGE Clc1cc(CN2[C@H]3CCC[C@H]2CC(Br)C3)ccc1I 2142949671 LODJURFTYBCLMB-STQMWFEESA-N 454.577 5.225 50 10 JKGE BrCc1ccc(N2C[C@@]34CCC[C@@]3(CN(Cc3ccccc3)C4)C2)c(Br)c1 2153341082 LUBJDNMEMOPLFC-ZRZAMGCNSA-N 490.283 5.837 50 10 JKGE Fc1cc(Cl)c(Br)cc1[C@@H](Br)C(C(F)(F)F)C(F)(F)F 2154122610 PBUZHZBCAWCLRR-SSDOTTSWSA-N 452.389 6.418 50 10 JKGE ClCCc1nc2cc(Cl)c(Br)cc2n1[C@@H]1CCCN(Cc2ccccc2)C1 2169014713 BKRHKLPEPJIBIX-MRXNPFEDSA-N 467.238 6.071 50 10 JKGE Cc1nc([C@@H](Br)c2cc3nc(O)[nH]c3cc2Br)c(Br)s1 2169494730 IEHYZTBJUXXNFM-VIFPVBQESA-N 481.995 5.043 50 10 JKGE C[C@H]1CN(C(=O)c2ccc(Br)cc2Br)CC[C@H]1CCBr 2172471108 BZZBSUZNYDSQRY-WDEREUQCSA-N 468.027 5.095 50 10 JKGE Cc1nn(C)c2sc([C@H](Cl)c3c(Br)sc(Br)c3Cl)cc12 2175243235 LAYSYPUNGDYJNX-QMMMGPOBSA-N 475.058 6.511 50 10 JKGE CC(C)(C)OCCCO[C@@](C)(CI)c1ccccc1Br 2181961130 BJNHLFLXGIMBAF-INIZCTEOSA-N 455.174 5.321 50 10 JKGE CC1(C)CCCN(C(=O)c2cc(Br)cc(Br)c2)[C@H]1CBr 2185809137 XRYCLMONQULBTE-ZDUSSCGKSA-N 468.027 5.237 50 10 JKGE CCc1nc([C@@H](Br)c2cc(C)cc(Br)c2OC)c(Br)s1 2203813001 PKIAMGZATIPHPH-NSHDSACASA-N 484.051 6.032 50 10 JKGE COc1c(Br)cc(C)cc1[C@@H](Br)c1c(Br)sc(C)c1C 2203840343 ADLRGISBKVOBCL-CYBMUJFWSA-N 483.063 6.691 50 10 JKGE Cc1cc(Br)c([C@H](Br)c2ccsc2Br)c(C)c1Cl 2217607378 CEUGARSYJXXFAZ-LLVKDONJSA-N 473.455 7.028 50 10 JKGE Fc1cc(Br)c(Br)cc1[C@H](Br)CC1CCCCCC1 2225615769 LIFHIGUEKPHKFO-GFCCVEGCSA-N 457.019 7.147 50 10 JKGE CC1(C)CCC[C@@](CBr)(Cc2ccc(I)c(Cl)c2)O1 2226861686 AYZHXGBCWDZSDZ-HNNXBMFYSA-N 457.577 5.600 50 10 JKGE COc1cc(Br)c([C@H](Br)c2cc(C)c(Br)s2)cc1C 2227714228 QOMVOUBBBIJUKI-ZDUSSCGKSA-N 469.036 6.383 50 10 JKGE Fc1cccc(Br)c1[C@H](Br)Cc1ccc(Br)cc1Cl 2229153369 SUAYONOIUZAPSQ-LLVKDONJSA-N 471.389 6.683 50 10 JKGE Fc1cccc([C@H](Br)Cc2cc(Cl)cc(Cl)c2)c1I 2232135353 GKDUGTBELMMRAI-GFCCVEGCSA-N 473.938 6.416 50 10 JKGE C[C@H](Cl)c1nc2cc(Br)c(Br)cc2n1-c1cscc1Br 2234068340 OXQAWRSPCSDJIT-LURJTMIESA-N 499.453 6.674 50 10 JKGE CCCCCCCC[C@@H](Br)c1c(Br)cc(C)c(Br)c1C 2235603091 HCSIDEQWLCQZIH-CQSZACIVSA-N 469.099 8.015 50 10 JKGE CS(=O)(=O)c1sccc1[C@H](Br)Cc1ccc(Br)cc1Cl 2237461030 RTGRCYDCZXTZHA-LLVKDONJSA-N 458.624 5.246 50 10 JKGE Cc1ccc(I)c([C@@H](Br)c2ccc([C@@H]3CCOC3)s2)c1 2240998614 XRBGZVRRBHEHCD-BDJLRTHQSA-N 463.178 5.649 50 10 JKGE Cc1ccc(I)c([C@@H](Br)c2cc(Cl)c(Cl)cc2C)c1 2264373748 WAVHWWALZHHPOF-HNNXBMFYSA-N 469.975 6.699 50 10 JKGE Fc1cc(Br)c(Br)cc1[C@H](Br)[C@H]1COC2(CCC2)C1 2269383234 SELKEDOBOJNWHO-AMIZOPFISA-N 456.975 5.746 50 10 JKGE COc1ccc([C@H](Br)c2cc(F)cc(Cl)c2)cc1I 2269543363 MJTZYGNKSQLFKI-AWEZNQCLSA-N 455.492 5.577 50 10 JKGE CC(C)CN(C[C@H](C)Br)C(=O)c1ccc(Br)cc1Br 2272458372 WNYOPXROUWUBFY-JTQLQIEISA-N 456.016 5.093 50 10 JKGE COc1c(Br)cc(Cl)cc1[C@@H](Br)c1c(C)nsc1Br 2277889401 OVYPNYAJUFADHL-SNVBAGLBSA-N 490.442 6.123 50 10 JKGE CC[C@H]1CC[C@H]([C@@H](Br)Cc2cc(Br)cc(Br)c2)CC1 2277963180 QPEIZRSPRQLCAZ-RBOXIYTFSA-N 453.056 6.734 50 10 JKGE Fc1ccc(Cl)c([C@H](Br)Cc2cc(Br)cc(Br)c2)c1 2277964308 DPFACIUXDOAGNE-CYBMUJFWSA-N 471.389 6.683 50 10 JKGE CC(C)c1cc(Br)cc([C@H](Cl)c2cc(Br)ccc2Br)c1 2280664926 AWSLMQPUDAAQAE-INIZCTEOSA-N 481.453 7.426 50 10 JKGE Clc1ccc([C@H](Cl)c2ccc3c(c2Br)CCO3)cc1I 2283582628 KMRORVMCEIRYKI-HNNXBMFYSA-N 483.958 5.970 50 10 JKGE COc1cc(Br)c([C@@H](Cl)c2ccc(Cl)c(I)c2)cc1C 2283586609 ZOKVQUGWRCKNFR-HNNXBMFYSA-N 485.974 6.352 50 10 JKGE CC1(C)C[C@H](Br)C[C@H](NC(=O)c2ccc(Cl)c(I)c2)C1 2283669901 QOKVZZNXXBUNCZ-MNOVXSKESA-N 470.576 5.017 50 10 JKGE Cn1cc(C=C(C#N)C(=O)Nc2ncc(Cc3cccc(Cl)c3Cl)s2)c2ccccc21 2293038623 POFKLXRAGORUQQ-UHFFFAOYSA-N 467.381 6.078 50 10 JKGE COc1cc(C=C(C#N)C(=O)Nc2ccccc2C(=O)O)cc(Cl)c1OCc1cccc(C)c1 2293500083 VTLCUFANYUSZFP-UHFFFAOYSA-N 476.916 5.480 50 10 JKGE COc1c(C)cc(C)cc1[C@@H](Cl)c1ccc(Br)cc1I 2295299912 WKSDPAWSFPSBMX-HNNXBMFYSA-N 465.556 6.007 50 10 JKGE N#CC(=Cc1cn(-c2ccccc2)nc1-c1ccccc1)C(=O)Nc1cccc(C(F)(F)F)c1 2295326994 XZXVQNCEBPARDA-UHFFFAOYSA-N 458.443 6.104 50 10 JKGE CCOc1ccc(C=C2CCC[C@H]3C2=NN(C(=O)CCl)[C@H]3c2ccc(OCC)cc2)cc1 2296809641 KOZISSCPCOFRQW-OZXSUGGESA-N 452.982 5.846 50 10 JKGE COc1cscc1[C@H](Br)c1cc(Br)ccc1OCc1ccccc1 2299505014 SCWHWKDWMLYYLA-LJQANCHMSA-N 468.210 6.583 50 10 JKGE CC1(C)COC[C@H]1[C@@H](Cl)c1c(Br)sc(Br)c1Br 2299622383 SMQUXLBJYHZCPH-YLWLKBPMSA-N 467.448 5.988 50 10 JKGE Clc1c(Br)sc(Br)c1[C@@H](Br)[C@@H]1C[C@H]1C1CCCC1 2311499715 IMEWNLPEZSGFGB-XKSSXDPKSA-N 477.487 7.189 50 10 JKGE COc1ccc(C=C(C#N)C(=O)Nc2cccc(Cl)c2Cl)cc1I 2313570649 BYMINQFSCMWACE-UHFFFAOYSA-N 473.097 5.152 50 10 JKGE Cc1ccc(OCC(=O)NN=C(C=Cc2ccccc2)C=Cc2ccccc2)c(Br)c1 2313574106 OGMGOXGRABOEOH-UHFFFAOYSA-N 475.386 6.035 50 10 JKGE CCCN[C@@H](c1cc(Br)ccc1OCc1ccccc1)C1CC(Br)C1 2314443956 LTQDQQRBCXXEMR-QYGXFBIXSA-N 467.245 6.242 50 10 JKGE FC1(F)[C@H]([C@@H](Br)c2cc(Br)ccc2OCc2ccccc2)C12CCC2 2314456208 VFIXEKCYIDYJFJ-ZWKOTPCHSA-N 472.167 6.900 50 10 JKGE FC(F)C1CC(C[C@@H](Br)c2ccc(OCc3ccccc3)cc2Br)C1 2314461856 RWJXVLUJZJGTGH-JTTJXQCZSA-N 474.183 7.146 50 10 JKGE FC(F)c1cscc1[C@@H](Br)c1ccc(OCc2ccccc2)cc1Br 2314503835 WLCNFPSWVLPOMG-SFHVURJKSA-N 488.191 7.512 50 10 JKGE CCc1ccc(N2C(=O)[C@@H](Cc3cccc(C)c3)SC2=C(C#N)C(=O)N[C@@H](C)c2ccccc2)cc1 2314593740 SEARXAHBGBJZDZ-KDYSTLNUSA-N 495.648 5.861 50 10 JKGE CCCCCOc1ccc(C=C2C(=O)N([C@H](C)c3ccccc3)C(=O)C(C#N)=C2C)cc1OC 2314618678 RQJNRTDZSKOYMM-HXUWFJFHSA-N 458.558 5.618 50 10 JKGE CCCCCCCOc1ccc(C=C2C(=O)N(Cc3ccc(F)cc3)C(=O)C(C#N)=C2C)cc1 2314619579 BTHJPPKDTZBVFR-UHFFFAOYSA-N 460.549 5.967 50 10 JKGE N#CC1=C(N)Oc2cc(OC(=O)C=Cc3ccc(Cl)cc3)ccc2[C@@H]1c1c(Cl)cccc1Cl 2314634406 NAWVPWOLARJIRO-QHCPKHFHSA-N 497.765 6.484 50 10 JKGE COC1([C@@H](Br)c2c(Cl)cc(Br)c(F)c2Br)CCC1 2315447760 RRAVVHKUMMVEMS-NSHDSACASA-N 465.382 6.009 50 10 JKGE COCc1ccc([C@@H](Br)c2sc(Br)c(C)c2Br)s1 2319404529 WIFLWMUIEMPUQW-SNVBAGLBSA-N 475.065 6.274 50 10 JKGE COc1ccc(-c2csc(-c3ccc(CNC(=O)C(C#N)=Cc4ccccc4)cc3)n2)cc1OC 2321876790 OIDOVHQLALYHOW-UHFFFAOYSA-N 481.577 5.718 50 10 JKGE Fc1cc([C@@H](Br)c2cc(Br)c(Br)s2)c(Cl)cc1Cl 2326685067 JBZXYBDQTOKJQD-SNVBAGLBSA-N 497.836 7.203 50 10 JKGE CCCCCCOc1ccc(C=NNC(=O)[C@H](Cc2ccccc2)NC(=O)OC(C)(C)C)cc1OC 2328827767 CPFRTVNKEIFSPB-QHCPKHFHSA-N 497.636 5.240 50 10 JKGE Cc1c([N+](=O)[O-])cc(C(O)=C(C#N)c2nc(-c3ccc4ccccc4c3)cs2)cc1[N+](=O)[O-] 2331238878 AQBZSNOJGLBBJB-UHFFFAOYSA-N 458.455 6.038 50 10 JKGE COc1ccc(-c2csc(C(C#N)=C(O)c3ccc4c(c3)C(=O)N(Cc3ccco3)C4=O)n2)cc1C 2331260027 CDZKQPFAAGNZRL-UHFFFAOYSA-N 497.532 5.466 50 10 JKGE Cc1cc(Br)c([C@@H](Br)[C@@]23CCCC[C@@H]2CC3)cc1Br 2334772735 ALIYYTQPIOMSTG-HFBAOOFYSA-N 451.040 6.926 50 10 JKGE Clc1cc(Br)c([C@@H](Br)[C@H]2CC[C@@H]3C[C@H]2CO3)c(Cl)c1Cl 2359122572 CAKBHQMVRFBAGA-MEUQOTJWSA-N 463.424 6.660 50 10 JKGE CC1(C)OCCO[C@H]1[C@@H](Br)c1c(F)cc(Cl)c(Br)c1Cl 2360426252 JZQDPJJCARDOLJ-JQWIXIFHSA-N 450.957 5.525 50 10 JKGE Fc1c(Br)cc(Cl)c([C@@H](Br)[C@@H]2CC23CCCCC3)c1Br 2362227559 GUPJEIKEBXJYBO-UFBFGSQYSA-N 489.448 7.411 50 10 JKGE Cn1nc([C@@H](Cl)c2c(Cl)cc(Br)c(F)c2Br)c(Cl)c1Cl 2362228199 MWNGSXULSDECEM-ZETCQYMHSA-N 485.793 6.373 50 10 JKGE COC[C@@H]1CC[C@@H]([C@@H](Br)c2c(Cl)cc(Br)c(F)c2Br)C1 2362229592 URVDTZARXABPAA-DNSOKLHBSA-N 493.436 6.503 50 10 JKGE Fc1c(Br)cc(Cl)c([C@@H](Br)C23CCC(F)(CC2)C3)c1Br 2362234762 IRCXRTSWSWDUJJ-IYXRBSQSSA-N 493.411 7.113 50 10 JKGE Fc1cc(CBr)c(OCc2cc(Br)cc(Br)c2)cc1Cl 2362456021 MDGSTTRABAHDED-UHFFFAOYSA-N 487.388 6.478 50 10 JKGE CCC[C@H](C(C)C)[C@@H](Br)c1c(C)cc(Br)c(OC)c1Br 2365192672 WXALRQZTZKHAMF-BXUZGUMPSA-N 471.071 7.037 50 10 JKGE COc1cc([C@@H](Br)c2c(F)cc(Cl)c(Br)c2Cl)sc1Cl 2365837535 FIUGMOBZLYFMRU-SNVBAGLBSA-N 483.411 7.103 50 10 JKGE N#Cc1cc(CBr)ccc1OCc1c(Br)cccc1Br 2366227038 LMHQCKIBOARMFG-UHFFFAOYSA-N 459.963 5.557 50 10 JKGE COCc1ccc([C@H](Br)c2c(F)cc(Cl)c(Br)c2Cl)s1 2367817083 LZJILNUSVVYVNW-LBPRGKRZSA-N 462.993 6.587 50 10 JKGE Clc1ccc(CN2C[C@@H]3C[C@H](CBr)C[C@@H](C3)C2)c(I)c1 2369250134 IBHGOZRIUYILKM-CLLJXQQHSA-N 468.604 5.188 50 10 JKGE Clc1ccc(I)cc1COC[C@H](CBr)c1ccccc1 2380373413 HXCZUMDKXSMXRP-AWEZNQCLSA-N 465.556 5.640 50 10 JKGE CC(C)(F)[C@](C)(F)CO[C@@](C)(CI)c1ccccc1Br 2381513878 BPBFWUHXVHCKQM-LSDHHAIUSA-N 461.128 5.592 50 10 JKGE COc1ccc(NC(=O)/C(C#N)=C/c2ccc(OCc3c(Cl)cccc3Cl)cc2)cc1 3232377 KKKHYXVRKPRQCK-GHRIWEEISA-N 453.325 6.127 50 10 JKGE Cc1ccc2nc(N(/N=C/c3ccc([N+](=O)[O-])s3)C(=O)c3ccc([N+](=O)[O-])s3)sc2c1 9628865 BICSOHONAXMHDM-DJKKODMXSA-N 473.517 5.225 50 10 JKGE C/C(=N\NC(=O)c1ccc(NC(=O)c2ccc(C(C)(C)C)cc2)cc1)c1cccc([N+](=O)[O-])c1 12491900 WEBPRTKBLBRSDA-OGLMXYFKSA-N 458.518 5.299 50 10 JKGE Cc1ccccc1N1C(=O)[C@@H](Cc2ccccc2Cl)S/C1=C(\C#N)C(=O)Nc1ccccc1 13757727 ZEDOXYMEMGZFED-SLSCBCEPSA-N 473.985 5.713 50 10 JKGE CCc1ccc(OCC(=O)N/N=C/c2ccc(OCc3ccccc3)cc2)c(Br)c1 13977526 HXLLMDYYSIMCKS-CVKSISIWSA-N 467.363 5.120 50 10 JKGE CCCCOc1ccc(/C=C(\C#N)C(=O)Nc2sc3c(c2C(=O)OCC)CCCC3)cc1 33346417 WZRDWNQAKGAWEB-OBGWFSINSA-N 452.576 5.528 50 10 JKGE N#C/C(=C\c1ccc(-n2nc(-c3ccccc3)cc2-c2ccccc2)cc1)c1nc(O)c2ccccc2n1 33568633 PBMYSCJHQQTXQT-NCELDCMTSA-N 491.554 6.919 50 10 JKGE Cc1ccc(S(=O)(=O)Oc2cccc(/C=C(/C#N)C(=O)Nc3cccc4ccccc34)c2)cc1 33723098 OICWZBRNDCAOAM-JWGURIENSA-N 468.534 5.462 50 10 JKGE CCCOc1ccc(-c2nn(-c3ccccc3)cc2/C=C2/C(=O)N(C(C)C)C(=O)C(C#N)=C2C)cc1F 38604343 NZZIOWKDEDBAHK-OEAKJJBVSA-N 498.558 5.468 50 10 JKGE CCCCOc1ccc(/C=C2/C(=O)N(CCc3ccccc3)C(=O)C(C#N)=C2C)cc1OCC 38607542 UICNRGWSIVNHOV-HAVVHWLPSA-N 458.558 5.099 50 10 JKGE Cc1c(C(=O)N2c3ccccc3C[C@@H]2C)oc2c1/C(=N/NC(=O)c1ccc(Cl)cc1Cl)CCC2 40813687 DZVRGZXVCFULQC-RXMUANJOSA-N 496.394 5.957 50 10 JKGE CCOC(=O)/C(C#N)=C/c1cccc(OC(=O)COc2ccc(Br)cc2C(C)(C)C)c1 40934509 JLROTZAPHJFWID-GZTJUZNOSA-N 486.362 5.201 50 10 JKGE CCn1c(SCC(=O)N/N=C/c2ccccc2OCc2ccccc2Cl)nc2ccccc21 58991731 VRQOLJVBFDXOHW-JFLMPSFJSA-N 479.005 5.531 50 10 JKGE N#C/C(=C/c1cccc(OCc2c(Cl)cccc2Cl)c1)C(=O)Nc1ccccc1[N+](=O)[O-] 98063423 SKJZXXSQFCFVDS-WJDWOHSUSA-N 468.296 6.026 50 10 JKGE CC1=C(C#N)C(=O)N([C@@H](C)c2ccccc2)C(=O)/C1=C/c1ccc(-c2ccccc2[N+](=O)[O-])o1 101337800 OCDHYSOJGHKSBK-JPOGYNCRSA-N 453.454 5.208 50 10 JKGE CCc1cc(Br)ccc1-n1c(CCl)nc2cc(I)ccc21 128352112 SVKOSBRDNLUSSC-UHFFFAOYSA-N 475.555 5.694 50 10 JKGE COc1cc([C@H](Cl)c2cccc(Br)c2Cl)c(OC)cc1Br 134289587 WEFRZSNOTYIAIR-CQSZACIVSA-N 454.973 6.210 50 10 JKGE COc1ccc([C@H](Br)c2ccc(Br)cc2OC)c(Br)c1 160780574 CXSDWOFJSZCFKC-HNNXBMFYSA-N 464.979 5.713 50 10 JKGE O=[N+]([O-])c1cc(Br)c(Oc2ccc(Cl)cc2CCl)c(Br)c1 161784348 LJXGZFRAAPOJHO-UHFFFAOYSA-N 455.917 6.304 50 10 JKGE CCOc1cc(/C=C2\C(=O)N(Cc3ccco3)C(=O)C(C#N)=C2C)ccc1OCc1ccccc1F 214320692 IOFJKJVXYBJNMY-XKZIYDEJSA-N 486.499 5.189 50 10 JKGE COc1ccc([C@@H](Br)c2cc(Cl)ccc2Cl)c(OC)c1Br 224852813 JBHCVCNRWRBEJG-CYBMUJFWSA-N 454.973 6.257 50 10 JKGE COc1ccc([C@@H](Br)c2cc(Br)cc3c2OCC3)cc1Br 228445036 JCILDFOCRUYTHS-OAHLLOKOSA-N 476.990 5.639 50 10 JKGE CCCOc1ccc([C@H](Br)c2cc(C)c(Br)s2)cc1Br 229006089 OMWGPKMEMXVXNL-AWEZNQCLSA-N 483.063 6.855 50 10 JKGE Clc1ccc(Cl)c([C@@H](Br)c2ccc(I)c(Cl)c2)c1 232343423 ZOMWAOIJIDEOSG-ZDUSSCGKSA-N 476.366 6.736 50 10 JKGE COc1cccc(C[C@@H](Br)c2cc(Br)ccc2I)c1 235003181 RCTNELYLYPEMPT-CQSZACIVSA-N 495.980 5.741 50 10 JKGE Fc1cccc(C[C@@H](Cl)c2cc(Br)ccc2I)c1F 236207380 OLELKVIZXUMVCO-LLVKDONJSA-N 457.483 5.855 50 10 JKGE CC(=NNC(=O)c1ccc(COc2ccc3c(c2)CCC3)o1)c1ccc(NC(=O)C2CCCC2)cc1 252622588 NYOGARNCEKSTIT-UHFFFAOYSA-N 485.584 5.630 50 10 JKGE O=C(CSC1c2ccccc2-c2ccccc21)NN=Cc1c2ccccc2cc2ccccc12 254396985 LMCRVVGYSOQTLX-UHFFFAOYSA-N 458.586 6.946 50 10 JKGE BrCc1cc2cc(I)c(I)cc2s1 307290038 IITWOTKVADNHDS-UHFFFAOYSA-N 478.918 5.005 50 10 JKGE Clc1ccc(CCOc2c(Br)cc(Br)cc2CBr)cc1 308504237 XYELHEMRVUKENM-UHFFFAOYSA-N 483.425 6.381 50 10 JKGE Brc1cccc2c([C@@H](Br)c3cccc(OCc4ccccc4)c3)csc12 312092003 ZYOADQQNSVXKBD-NRFANRHFSA-N 488.244 7.727 50 10 JKGE CO[C@@H]1CCC[C@H](Oc2c(Br)cc(Br)cc2CBr)C1 381960162 DMCXBCNVOQDWNB-NEPJUHHUSA-N 457.000 5.443 50 10 JKGE Fc1ccccc1C(CBr)(CBr)Cc1ccc(Br)o1 393544637 IXIZWSXTILIXIB-UHFFFAOYSA-N 454.959 5.452 50 10 JKGE CN(C(=O)OC(C)(C)C)c1ccc([C@@H]2CCc3ccccc3N2CCO[Si](C)(C)C(C)(C)C)cc1 616595813 XOBBNQITEJZDQU-SANMLTNESA-N 496.768 7.574 50 10 JKGE O=C(NC1(CCBr)CCCCC1)c1cc(Br)ccc1Br 687326881 SMDOYDMUPTWFMW-UHFFFAOYSA-N 468.027 5.429 50 10 JKGE CCn1nc(C)c(Br)c1COc1cccc(Br)c1CBr 706855399 GUTVMGZXYVQHFJ-UHFFFAOYSA-N 466.999 5.210 50 10 JKGE COc1ccc(CNC(=O)[C@@H](c2cccs2)N(C(=O)CCl)c2cccc(C(F)(F)F)c2)cc1 725237545 JPDVKJLJODWVGF-OAQYLSRUSA-N 496.938 5.405 50 10 JKGE O=C(NN=Cc1cc(-c2ccccc2)n(-c2ccccc2)c1-c1ccccc1)c1cc2ccccc2o1 1083857842 CDXPYMCCVFTXGZ-UHFFFAOYSA-N 481.555 7.321 50 10 JKGE O=C(NN=Cc1ccc(-c2ccc([N+](=O)[O-])cc2)o1)c1ccc(CSc2ccc(Cl)cc2)cc1 1084012114 UFBVEUQZYJCMPP-UHFFFAOYSA-N 491.956 6.564 50 10 JKGE N#C/C(=C/c1ccc(OCc2ccccc2Cl)cc1)C(=O)Nc1ccc(Cl)c(Cl)c1 1084495544 LVVWMGKIHMCTPN-BOPFTXTBSA-N 457.744 6.771 50 10 JKGE O=C(OCc1ccccc1)N1C[C@H](CBr)[C@H](c2ccc([N+](=O)[O-])cc2Br)C1 1614641901 IRQNFHNGVCBTRT-WMLDXEAASA-N 498.171 5.104 50 10 JKGE Cc1c(C(=O)NNC(=O)c2ccc(Cl)cc2Cl)oc2c1C(=NNc1ccccc1)CC(C)(C)C2 1772729385 MCBQKVCUEDYDBP-UHFFFAOYSA-N 499.398 5.758 50 10 JKGE CCOc1ccc(C=NNC(=O)CCCOc2ccc(C(C)(C)C)cc2Br)cc1 1772755892 UECXUIINZDRDEK-UHFFFAOYSA-N 461.400 5.455 50 10 JKGE CCCCCCOc1ccc(C=NNC(=O)CSc2nc3ccccc3s2)cc1OCC 1772760354 FNGIEVKZRGXRTA-UHFFFAOYSA-N 471.648 5.897 50 10 JKGE Cc1ccc(-n2nc(-c3ccccc3)c3c2OC(N)=C(C#N)[C@@H]3c2cccc(Br)c2)cc1 1865683673 HXBNIVLPWKFLTJ-QFIPXVFZSA-N 483.369 5.828 50 10 JKGE CCCCCCOc1ccc([C@H]2C(C#N)=C(N)Oc3c2c(-c2ccc(OC)cc2)nn3C)cc1OC 1865696822 RAPXMYHTNGOUPT-DEOSSOPVSA-N 488.588 5.282 50 10 JKGE Cc1ccc(C)c(Cn2nc(C(F)(F)F)c3c2OC(N)=C(C#N)[C@H]3c2c[nH]c3ccccc23)c1 1865700224 NKBPGZMCQNEBKO-FQEVSTJZSA-N 463.463 5.267 50 10 JKGE CCc1nn(-c2ccc(Cl)c(Cl)c2)c2c1[C@H](c1ccccc1OC(C)C)C(C#N)=C(N)O2 1865705363 TWIGFTDMMHTCJZ-OAQYLSRUSA-N 469.372 5.747 50 10 JKGE N#CC1=C(N)Oc2c(c(C(F)(F)F)nn2-c2ccc(Cl)cc2)[C@@H]1c1ccc(Cl)c([N+](=O)[O-])c1 1865705983 LDXXXCQRTKBFNH-OAHLLOKOSA-N 496.232 5.324 50 10 JKGE COC(=O)c1ccc([C@H]2C(C#N)=C(N)Oc3c2c(-c2ccccc2)nn3-c2ccc(Cl)cc2)cc1 1865709668 ZJJKCGGYZYFFMG-QFIPXVFZSA-N 482.927 5.197 50 10 JKGE CC(C)[C@@H]1c2ccccc2CCN1c1cc(Nc2ccc(SC#N)cc2)nc(Cc2ccccc2)n1 1868208273 YFOVEEKZZHGVMD-SSEXGKCCSA-N 491.664 7.144 50 10 JKGE N#C/C(=C(/O)Cc1ccc(OCc2ccccc2)cc1)c1nc(-c2ccc(Cl)cc2Cl)cs1 1872744854 LJBUOZLNPKQCPG-LVWGJNHUSA-N 493.415 7.731 50 10 JKGE CCOC(=O)c1ccc(N2C[C@H](/C(O)=C(\C#N)c3nc(-c4ccc(C)c(C)c4)cs3)CC2=O)cc1 1872756164 FGILTYCQPBGOEK-AYZDXIITSA-N 487.581 5.449 50 10 JKGE Cl[C@@H](c1cc(Br)ccc1OCc1ccccc1)c1ncsc1Br 1899860839 HVQUZPFNXVYHIB-HNNXBMFYSA-N 473.617 6.575 50 10 JKGE Clc1ccc(C[C@H](Br)c2cc(Br)ccc2Br)nc1 1918238728 HNMGXJMTZYPOLG-ZDUSSCGKSA-N 454.387 5.939 50 10 JKGE Cc1c(Br)sc([C@H](Br)c2cccc(Cl)c2Cl)c1Br 1922897725 PHRNHSJIMHMZDV-SECBINFHSA-N 493.873 7.373 50 10 JKGE Cc1c(Br)sc([C@H](Br)c2cccc3c2CCCC3)c1Br 1922930424 RSSUONSOMIPTBF-CQSZACIVSA-N 479.075 6.945 50 10 JKGE FC(F)Oc1cccc([C@@H](Br)c2sc(Br)cc2Br)c1 1922954307 MUSDHLCWMJTJDJ-SNVBAGLBSA-N 476.962 6.359 50 10 JKGE Fc1cc([C@H](Cl)c2c(Br)sc(Br)c2Cl)ccc1Cl 1923050339 SYFPENPHZCVXCO-QMMMGPOBSA-N 453.385 7.047 50 10 JKGE Clc1ccccc1[C@@H](Cl)c1c(Br)sc(Br)c1Br 1924583848 PQYIEWFFEYDHKU-SECBINFHSA-N 479.846 7.017 50 10 JKGE Brc1cscc1[C@@H](Br)c1cc(C2CC2)c(Br)s1 1945810827 FTHPEIVXLIKVBO-LLVKDONJSA-N 457.050 6.696 50 10 JKGE CC[C@@H]1CN(c2cccc(Br)c2CBr)CCN1Cc1ccccc1 1946745682 ZEMCIKFVVUUOIZ-QGZVFWFLSA-N 452.234 5.445 50 10 JKGE O=C(OCC1c2ccccc2-c2ccccc21)N1CC[C@@](CCCC[C@H]2CCSS2)(C(=O)O)C1 1951709723 UIAZQGWUEYPIJZ-UZTOHYMASA-N 497.682 6.426 50 10 JKGE C[C@@H]1CC[C@H](C[C@H](Br)c2c(Br)sc(Br)c2Cl)O1 1998140468 KSVHJGKJKBSZNR-QYNIQEEDSA-N 467.448 6.320 50 10 JKGE C[C@]12CO[C@]([C@@H](Br)c3c(Br)sc(Br)c3Cl)(C1)C2 2025089088 QIPZFBBUBQXSAW-BKDNQFJXSA-N 465.432 5.932 50 10 JKGE CC(C)c1ccccc1[C@H](Br)c1cc(Br)sc1Br 2027519269 AYGLKARPIZGFLM-ZDUSSCGKSA-N 453.037 6.881 50 10 JKGE FC1(F)[C@H]2C[C@@H]([C@H](Br)c3cc(Br)c(Br)s3)CC[C@H]21 2030333451 LYUUQMLQMPELOP-XIVUIJJLSA-N 464.995 6.391 50 10 JKGE Cl[C@@H](c1c(Br)sc(Br)c1Br)C1(CC2CC2)CCC1 2069472969 RREGTQIMSQSMRS-JTQLQIEISA-N 477.487 7.286 50 10 JKGE Fc1c(Br)cccc1[C@@H](Cl)c1ccc(Br)cc1Br 2083330680 RMBQXVUICMJLSS-LBPRGKRZSA-N 457.362 6.441 50 10 JKGE Cc1ccc([C@@H](Br)c2ccc(Br)cc2Br)c(Br)c1 2083339477 QJXBCSKDCWTCMO-CQSZACIVSA-N 497.850 6.767 50 10 JKGE Fc1cnccc1C[C@@H](Br)c1ccc(Br)cc1I 2086148991 ITVRFOTUDVBOKD-LLVKDONJSA-N 484.932 5.267 50 10 JKGE CCc1cc(Br)c([C@H](Br)c2cc(Cl)c(C)c(Br)c2)s1 2111086476 JJTZSXOJSBXBFR-CYBMUJFWSA-N 487.482 7.282 50 10 JKGE CC1(C)CCCC[C@]1(CBr)Cc1c(Br)cccc1Br 2117013320 IFMYUXVYRCLSTR-MRXNPFEDSA-N 453.056 6.736 50 10 JKGE Cc1cc(Br)c(C)c([C@H](Br)C2C(C)(C)C2(C)C)c1Br 2136380728 WIKXGYYHJZOFEU-ZDUSSCGKSA-N 453.056 6.947 50 10 JKGE Cc1c(Br)ccc([C@H](Br)c2cccc(F)c2Cl)c1Br 2138854054 RVGVTIQDJHLJFK-ZDUSSCGKSA-N 471.389 6.797 50 10 JKGE C[C@H]1[C@H](Br)C[C@H]2CC[C@H]1N2Cc1ccc(I)c(Cl)c1 2142942523 DSKPFRVJJCQNFA-AYIJCJCZSA-N 454.577 5.081 50 10 JKGE ClCc1ccc(Br)cc1OCc1ccc(I)c(Cl)c1 2142951212 YGYDQWIIEBFJEQ-UHFFFAOYSA-N 471.947 6.025 50 10 JKGE CC(C)(C)[C@@H]1CC[C@H](Br)[C@@H](Cc2cccc(Br)c2Br)C1 2148754600 VPMJSMJQMKCTCD-MJBXVCDLSA-N 467.083 6.980 50 10 JKGE CO[C@@](C)(COCc1ccccc1)Cn1c([C@H](C)Cl)nc2cncc(Br)c21 2151792503 BGKFKBCVNVBDEF-VBKZILBWSA-N 452.780 5.116 50 10 JKGE Cc1cc(Br)sc1[C@H](Br)c1ccc(Br)c(C(F)(F)F)c1 2156076216 SPKRTKSLNRYGDI-LLVKDONJSA-N 492.980 7.085 50 10 JKGE C[C@H](c1cccs1)N(Cc1ccccc1)S(=O)(=O)c1ccc(CCBr)cc1 2179787260 MFHHAZOXAWXEMH-QGZVFWFLSA-N 464.450 5.638 50 10 JKGE COc1cc(C)c([C@H](Cl)c2ccc(F)cc2I)cc1Br 2198731904 CNXNKZOCDZLYER-OAHLLOKOSA-N 469.519 5.838 50 10 JKGE COc1cc(Br)c([C@@H](Cl)c2cc(I)sn2)cc1C 2220437640 LGSYMAIGNZZJBL-GFCCVEGCSA-N 458.546 5.155 50 10 JKGE C[C@H](C[C@H](Br)c1c(Br)cc(Cl)c(Cl)c1Cl)C(C)(C)C 2224303496 XPJQHDZEDQTHCV-SFYZADRCSA-N 451.457 7.918 50 10 JKGE Cc1cc(Br)c([C@H](Br)[C@@H]2CCCOCC2)c(C)c1Br 2227361683 GDTFZRZHGRRUFQ-IAQYHMDHSA-N 455.028 6.081 50 10 JKGE FCC12CC([C@@H](Br)c3c(Br)cc(Cl)c(Cl)c3Cl)(CO1)C2 2232519219 JVDZPZRENNPXQW-HIFPTAJRSA-N 467.387 6.364 50 10 JKGE FC(F)CC1([C@@H](Br)c2c(Br)cc(Cl)c(Cl)c2Cl)CCC1 2232527239 CLXTZXNCTBUOFW-LBPRGKRZSA-N 471.394 7.671 50 10 JKGE Cc1cc(Br)sc1[C@@H](Br)c1c(F)cccc1I 2247989302 GGPGHVCGFVCLFS-NSHDSACASA-N 489.973 6.047 50 10 JKGE O=C(c1cccc(Cl)c1Br)N(Cc1ccccc1)[C@H](CBr)C1CC1 2248085182 WAWLRDOLCFPVDG-QGZVFWFLSA-N 471.620 5.918 50 10 JKGE Cc1sc(Br)c([C@@H](Cl)c2c(F)cccc2I)c1C 2255900514 HHXXGNFWZCSWFQ-GFCCVEGCSA-N 459.549 6.199 50 10 JKGE CCC1([C@@H](Br)c2c(F)cc(Br)c(F)c2Br)CCCC1 2272741977 WTGVITAXNPUNGI-ZDUSSCGKSA-N 460.982 6.896 50 10 JKGE C[C@H](CC(C)(C)C)[C@H](Br)c1c(F)cc(Br)c(F)c1Br 2272853316 ADZBBOUHQBEWLP-HQJQHLMTSA-N 462.998 6.998 50 10 JKGE Cc1cccc(Oc2c(CCl)ccc(Br)c2Cl)c1I 2277896308 JYDQAUFXSFLCGI-UHFFFAOYSA-N 471.947 6.547 50 10 JKGE COc1c(C)cc(C)cc1[C@H](Br)c1csc(Br)c1Br 2277974002 FEUHTGKKWQDODL-NSHDSACASA-N 469.036 6.383 50 10 JKGE CN(c1ncc(I)cc1Br)[C@@H](CBr)c1ccccc1 2278837475 FQDASYBNBORWDM-ZDUSSCGKSA-N 495.984 5.021 50 10 JKGE COc1cc(OCc2cc(Cl)ccc2I)ccc1CBr 2282822489 JBJFLEWPSJJGPK-UHFFFAOYSA-N 467.528 5.427 50 10 JKGE COc1ccc([C@@H](Cl)c2ccc(OC)c(I)c2)c(Br)c1 2285012496 SAQUMBZNUDFLGY-HNNXBMFYSA-N 467.528 5.399 50 10 JKGE COc1ccc([C@@H](Br)c2cscc2C(F)(F)F)cc1I 2285014204 XQLREGLKIPGOMA-GFCCVEGCSA-N 477.083 5.864 50 10 JKGE CCOc1cc(C=C(C#N)c2nc3ccccc3[nH]2)ccc1Oc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] 2293841554 QEMYSLTYMBDLPU-UHFFFAOYSA-N 471.429 5.634 50 10 JKGE Cc1ccc(Cl)cc1NC(=O)C(C#N)=Cc1c(OCc2ccccc2C#N)ccc2ccccc12 2294168338 FRQDOHQJHRWZAJ-UHFFFAOYSA-N 477.951 6.798 50 10 JKGE COc1cc(OC)c([C@H](Br)c2scc(C)c2Br)cc1Br 2295416858 NOLOATCNKNOJLS-ZDUSSCGKSA-N 485.035 6.083 50 10 JKGE CCCN1CC(=Cc2ccc(Cl)cc2)C2=C(C1)[C@H](c1ccc(Cl)cc1)C(C#N)=C(N)O2 2296547572 CEPYUCICWJSNHB-HSZRJFAPSA-N 452.385 5.864 50 10 JKGE CCOc1cc(C=C(C#N)c2nn(-c3ccccc3)c(N)c2C#N)ccc1OCc1ccc(F)cc1 2296739285 PAOJEBHNYPGPFH-UHFFFAOYSA-N 479.515 5.507 50 10 JKGE Cc1c(Br)sc([C@@H](Br)C[C@@H]2C[C@H]2C(F)(F)F)c1Br 2310518538 KLNPGWYBBBDTEK-XVMARJQXSA-N 470.974 6.606 50 10 JKGE COc1ccc(C(=O)NN=C(C=Cc2ccccc2)c2ccccc2)cc1I 2313513123 YSGQQRGYRWRMIC-UHFFFAOYSA-N 482.321 5.147 50 10 JKGE CN(C)C(=O)C(C#N)=Cc1cc(-c2ccccc2)n(-c2ccc(Br)cc2)c1-c1ccccc1 2313567567 LXHFDLPQLYIQBQ-UHFFFAOYSA-N 496.408 6.569 50 10 JKGE C=CCc1cc(C=C(C#N)C(=O)Nc2ccc(C)cc2)ccc1OCc1ccc2c(c1)OCO2 2313568223 PUEFWOYHZVIZAH-UHFFFAOYSA-N 452.510 5.577 50 10 JKGE FC12CCC([C@H](Br)c3ccc(OCc4ccccc4)cc3Br)(CC1)C2 2314440446 PPHIXRWXGNZHQD-QNGMFEMESA-N 468.204 7.137 50 10 JKGE O=[N+]([O-])c1ccc([C@@H](Br)c2ccc(OCc3ccccc3)cc2Br)o1 2314448466 HWHYGMXFVBAJBO-SFHVURJKSA-N 467.113 6.014 50 10 JKGE FC(F)(F)C(F)(F)C[C@H](Br)c1cc(Br)ccc1OCc1ccccc1 2314451815 IESUOYAUNHBMNR-AWEZNQCLSA-N 488.088 7.052 50 10 JKGE CC[C@H](C[C@@H](Br)c1ccc(OCc2ccccc2)cc1Br)C(C)(C)C 2314453874 ACOMMQDMQWVRFJ-YLJYHZDGSA-N 468.273 7.927 50 10 JKGE Cc1cc(C)cc(Oc2nc3ccccn3c(=O)c2C=C(C#N)C(=O)Nc2cc(C)ccc2C)c1 2314533618 SGEKPFJRGQCFCW-UHFFFAOYSA-N 464.525 5.266 50 10 JKGE CCC(F)(F)C[C@@H](Br)c1c(Cl)cc(Br)c(F)c1Br 2315440634 VTRVDXFMCUONDF-ZCFIWIBFSA-N 473.352 6.876 50 10 JKGE Cl[C@H](C[C@H]1CC[C@H]1C1CC1)c1c(Br)sc(Br)c1Br 2319489221 HYQQNGAKWUTBKD-HRDYMLBCSA-N 477.487 7.142 50 10 JKGE CN1CCN(c2ccc(NC=C(C#N)C(=O)NC3CCCCCCCCCCC3)cc2)CC1 2325480177 LLCGHPUYWZYGRV-UHFFFAOYSA-N 451.659 5.047 50 10 JKGE CCCOc1ccc(-c2csc(C(C#N)=C(O)c3ccc(Cl)nc3)n2)cc1OCCC 2331293439 LPTPVLFRIYERPR-UHFFFAOYSA-N 455.967 6.386 50 10 JKGE COc1ccc(C=C(C(O)=C(C#N)c2nc(-c3ccc(C)cc3C)cs2)c2ccccc2)cc1 2331310776 HQSAAFNEQJEIEH-UHFFFAOYSA-N 464.590 7.469 50 10 JKGE CC(C)c1ccc(-c2csc(C(C#N)=C(O)[C@H]3CC(=O)N([C@@H](C)c4ccccc4)C3)n2)cc1 2331340820 STXQPLPMALNOBT-AVRDEDQJSA-N 457.599 6.336 50 10 JKGE N#CC(=C(O)Cc1ccc(OCc2ccccc2)cc1)c1nc(-c2c[nH]c3ccccc23)cs1 2331346693 ILLRRDNRIZFRSE-UHFFFAOYSA-N 463.562 6.906 50 10 JKGE COc1ccc(C(C)(C)C)cc1-c1csc(C(C#N)=C(O)[C@H](C)Oc2ccc(C(C)C)cc2)n1 2331350827 XKLTYXVRDOMAMS-SFHVURJKSA-N 476.642 7.500 50 10 JKGE COc1cc(OC)c(-c2csc(C(C#N)=C(O)c3cc([N+](=O)[O-])cc([N+](=O)[O-])c3)n2)cc1Cl 2331381153 PQEDDYHVUVBVNM-UHFFFAOYSA-N 488.865 5.247 50 10 JKGE CCCCc1ccc(-c2csc(C(C#N)=Cc3cc(Br)c(OCC)c(OC)c3)n2)cc1 2331429474 ZDUIEQKUWHKYNI-UHFFFAOYSA-N 497.458 7.387 50 10 JKGE COc1cccc(C=C(C#N)c2nc(-c3ccc([N+](=O)[O-])cc3)cs2)c1OCc1cccc(C)c1 2331434258 MGGZFFMLOXETSN-UHFFFAOYSA-N 483.549 6.679 50 10 JKGE COc1ccc(Cl)cc1-c1csc(C(C#N)=Cc2cccc(OCc3ccccc3)c2)n1 2331491412 DOJNBGYMHGJXJQ-UHFFFAOYSA-N 458.970 7.115 50 10 JKGE COc1cc(F)cc([C@@H](Br)c2ccc(OCc3ccccc3)cc2Br)c1 2336043184 CVLAOTULADKULH-OAQYLSRUSA-N 480.171 6.660 50 10 JKGE Fc1c(Br)cc(Cl)c([C@H](Br)c2ccccc2Cl)c1Br 2337113851 KEQVXZRSPRDVMP-LLVKDONJSA-N 491.807 7.142 50 10 JKGE Cc1cc(Br)c(F)c(Br)c1[C@@H](Br)[C@@H](C)C1CCCC1 2339654890 VKRZTIWWKDFXIS-ZANVPECISA-N 457.019 6.921 50 10 JKGE Cc1cc(Br)c(F)c(Br)c1[C@H](Br)C1CC2(COC2)C1 2339656565 PBFOKQBJQDWYPL-LLVKDONJSA-N 456.975 5.522 50 10 JKGE COc1c(Br)cc(C)c([C@H](Br)CCC2CCC2)c1Br 2339657107 UWULTCCWLXLGDT-LLVKDONJSA-N 455.028 6.545 50 10 JKGE Cc1cc(Br)c(F)c(Br)c1[C@@H](Cl)c1nn(C)cc1Br 2339687383 UTGLCYSNINMSQM-SNVBAGLBSA-N 475.381 5.483 50 10 JKGE CC(C)CC(CBr)(CBr)Cc1c(Br)cnn1C(C)C 2342343173 OMPJAHBNOHOQHV-UHFFFAOYSA-N 459.064 5.591 50 10 JKGE C[C@@H]1CCCN(Cc2ccc(I)c(Br)c2)[C@@H]1CCCl 2349830628 RBOHROXFEVXERY-IAQYHMDHSA-N 456.593 5.283 50 10 JKGE CC1(C)C[C@H](Cl)CCN(Cc2ccc(I)c(Br)c2)C1 2349848256 RATCDYWBCUXTGA-GFCCVEGCSA-N 456.593 5.283 50 10 JKGE CCC1(CC)[C@@H](Cl)C[C@H]1OCc1ccc(I)c(Br)c1 2350060773 ONIDKOJICAIWMW-UONOGXRCSA-N 457.577 5.756 50 10 JKGE C[C@@H](Br)CN(Cc1cc(I)ccc1Cl)C1CCCC1 2352417117 FIFJIHYMRXSELP-LLVKDONJSA-N 456.593 5.473 50 10 JKGE Fc1c(Br)cc(Cl)c([C@H](Br)[C@@H]2OC[C@@H]3CCC[C@@H]32)c1Br 2362230603 ALVYVFVSGPHKHL-HNHNTRAQSA-N 491.420 6.255 50 10 JKGE CC1CCC2(CC1)[C@@H](Oc1cc(Br)cc(Br)c1)C[C@H]2Br 2364103234 HTOQNJAAMXRNOO-YNOKFWAISA-N 467.039 6.323 50 10 JKGE CCc1cc(Br)c([C@H](Br)Cc2ccc(OC)cc2Br)s1 2364261756 TUFDPYVVAMIEMC-CYBMUJFWSA-N 483.063 6.523 50 10 JKGE COc1c(Br)cc(C)c([C@H](Br)C(C)(C)C(F)(F)F)c1Br 2365189916 ZOIJYWPTUTZVJF-NSHDSACASA-N 482.960 6.553 50 10 JKGE CN(C)c1ccnc(Oc2ccc(Br)cc2Br)c1CBr 2377508892 MJKKUUPVMWMFBQ-UHFFFAOYSA-N 464.983 5.360 50 10 JKGE Cc1ccc(/C=N/NC(=O)CSc2nc(=O)c3c(-c4ccc5c(c4)CCCC5)csc3[nH]2)cc1 2614490 WOONLRSTEJSJKB-UVHMKAGCSA-N 488.638 5.081 50 10 JKGE CC(C)(C)c1ccc(C(=O)NNC(=O)c2sc3ccccc3c2Cl)cc1Br 12492684 LLUIHCWYBQHUCF-UHFFFAOYSA-N 465.800 5.690 50 10 JKGE CCOc1ccc(/C=C(/C#N)c2nc(-c3cc4cc(Br)ccc4oc3=O)cs2)cc1 33391372 CKBXYGHQOAQQHH-SXGWCWSVSA-N 479.355 6.142 50 10 JKGE COc1ccc(NC(=O)COc2ccc(/C=C(/C#N)C(=O)c3c(C)[nH]c4ccccc34)cc2OC)cc1 33450810 OHVIXHCDLLTVEB-ZHZULCJRSA-N 495.535 5.301 50 10 JKGE N#Cc1c(NC(=O)c2ccccc2C[C@H](Cl)C#N)oc(-c2ccccc2)c1-c1ccccc1 33809944 SOZDFRZTPUXHDV-NRFANRHFSA-N 451.913 6.411 50 10 JKGE N#CC1=C(N)Oc2cc(OC(=O)Cc3ccccc3)ccc2[C@H]1c1cccc(Oc2ccccc2)c1 38676734 VBFLBPLXNFJPLO-GDLZYMKVSA-N 474.516 5.845 50 10 JKGE Cc1ccc(S(=O)(=O)/C(C#N)=C/c2cn(-c3ccccc3)nc2-c2ccc3c(c2)OCO3)cc1C 39850264 IZSHXVPGBPWDSO-ZMOGYAJESA-N 483.549 5.223 50 10 JKGE N#C/C(=C\c1ccc(-c2cccc(C(F)(F)F)c2)o1)C(=O)Nc1ccc(OC(F)(F)F)cc1 39884771 VJFNFTXZOOZKOV-SDNWHVSQSA-N 466.337 6.410 50 10 JKGE N#C/C(=C\c1ccc(-c2cccc(Cl)c2)o1)c1nc(-c2cc3ccccc3oc2=O)cs1 39885046 DRGZZFSKOHNRHN-GZTJUZNOSA-N 456.910 6.894 50 10 JKGE Cc1c(C(=O)Nc2cccc(Cl)c2Cl)oc2c1/C(=N/NC(=O)c1ccccc1)CCC2 40804198 KFNAOMRDUYTANN-JVWAILMASA-N 456.329 5.618 50 10 JKGE Cc1occc1C(=O)N/N=C1\CCCc2oc(C(=O)Nc3ccc(Cl)cc3Cl)c(C)c21 40823369 KSLHPRHCLBLMRF-YZSQISJMSA-N 460.317 5.519 50 10 JKGE O=C1/C(=N/NC(=O)C23CC4CC(CC(C4)C2)C3)c2ccccc2N1C(c1ccccc1)c1ccccc1 59160171 JNNYJXXEAKWPKT-PJJLUWSFSA-N 489.619 5.860 50 10 JKGE Cc1ccc(Br)cc1[C@H](Br)c1cc(Cl)c(Br)cc1F 97895653 JMAVWTTYDDMXCO-AWEZNQCLSA-N 471.389 6.797 50 10 JKGE COc1ccccc1N/C=C(/C#N)c1nc(-c2cc3cc(Br)ccc3oc2=O)cs1 100296496 QTFGIQBVBGQTTA-KAMYIIQDSA-N 480.343 5.664 50 10 JKGE CCc1ccc(N2C(=O)[C@H](Cc3cccc(C)c3)S/C2=C(/C#N)C(=O)Nc2ccccc2)cc1 101244333 JFTRMBPXUABNTQ-UZEPBSNMSA-N 467.594 5.622 50 10 JKGE C=CCOC(=O)c1sc(N/C=C(\C#N)c2nc(-c3cccs3)cs2)c(C(=O)OCC)c1C 103624458 XPJXCJDDGZVLBN-SDNWHVSQSA-N 485.612 5.738 50 10 JKGE COc1ccc([C@@H](Br)c2cc(F)cc(Br)c2)c(Br)c1 104036918 BQDDYDUOHXDXGO-AWEZNQCLSA-N 452.943 5.844 50 10 JKGE Brc1ccc(Br)c([C@@H](Br)c2ccccc2Br)c1 104041649 YWJAPRHQYYNSBX-ZDUSSCGKSA-N 483.823 6.458 50 10 JKGE CCCCCCCCCCCCCCCC(=O)N/N=C/c1ccc(OCc2ccccc2)c(OC)c1 105059083 PZLXXAKLIMASLM-WGPBWIAQSA-N 494.720 8.206 50 10 JKGE Clc1cccc(Cl)c1[C@H](Br)c1cc(Br)ccc1Br 109844641 RMDRNERMCPWNCL-CYBMUJFWSA-N 473.817 7.003 50 10 JKGE Fc1c(F)c(F)c([C@H](Br)c2cc(Cl)c(Br)s2)c(F)c1F 128147334 WPRUDRJFGWNRHZ-RXMQYKEDSA-N 456.455 6.344 50 10 JKGE Clc1ccc([C@@H](Br)c2cc(Br)c(Br)s2)cc1Cl 128248468 PZJSWIGJYIJXNH-SNVBAGLBSA-N 479.846 7.064 50 10 JKGE CCCOc1ccccc1/C=C(/C#N)C(=O)Oc1ccc(C(=O)Nc2ccc(OC)cc2)cc1 206990133 JFIZKLUNHYICOK-FXBPSFAMSA-N 456.498 5.249 50 10 JKGE CCCCN1C(=O)C(C#N)=C(C)/C(=C/c2cn(-c3ccccc3)nc2-c2cc3ccccc3o2)C1=O 214227193 SPDCCZWDFOBUIZ-HAHDFKILSA-N 476.536 5.678 50 10 JKGE CC[C@H](C)[C@H](c1ccccc1)[C@@H](Br)c1cc(Br)ccc1Br 217515953 CDEYTQOTXDKKGY-RZAIGCCYSA-N 475.062 7.478 50 10 JKGE COc1ccc([C@H](Br)c2ccccc2I)c(OC)c1Cl 224650533 MVYDCHFAIGGZKX-CYBMUJFWSA-N 467.528 5.446 50 10 JKGE COc1ccc(OC)c([C@H](Cl)c2cc(I)ccc2Br)c1 234948415 WGEVFTNDLHEBFN-OAHLLOKOSA-N 467.528 5.399 50 10 JKGE Clc1cccc(C[C@@H](Br)c2cc(Br)cc(Br)c2)c1 236065311 CECAUVVTCJMSMA-CQSZACIVSA-N 453.399 6.544 50 10 JKGE Cc1cc(C=NNC(=O)CSC2c3ccccc3-c3ccccc32)c(C)n1-c1ccccc1 252620260 MAJANBCCUWTIHH-UHFFFAOYSA-N 451.595 6.047 50 10 JKGE CCCCCCCCCCCCCCCC(=O)NN=Cc1c[nH]nc1-c1ccc(OC)c(OC)c1 254744986 LRLGSNKXEZEMAN-UHFFFAOYSA-N 484.685 7.025 50 10 JKGE O=C(NC[C@@H]1CCC[C@H](CBr)C1)c1cc(Br)sc1Br 311977790 NZKOARGYIQNIHE-DTWKUNHWSA-N 474.056 5.204 50 10 JKGE C[C@H]1CN(Cc2ccccc2)C[C@@H]1n1c(CCCl)nc2cc(I)ccc21 389775124 CCMVUCHNHVUGCQ-YWZLYKJASA-N 479.793 5.115 50 10 JKGE Clc1cc([C@H](Br)c2cccc(Br)c2Cl)c(Cl)c(Cl)c1Cl 405068188 FGFVKUJDXLEOAM-SECBINFHSA-N 498.256 8.200 50 10 JKGE 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 605696401 MCSRTMAXJYKTHU-NXEBGESXSA-N 486.857 8.963 50 10 JKGE in-vitro CC(C)(C)[Si](C)(C)OCCN1CCOC[C@@H]1c1ccc(CO[Si](C)(C)C(C)(C)C)cc1 616638312 FPZDHLCVMCDCRE-HSZRJFAPSA-N 465.827 6.604 50 10 JKGE Clc1ccc(I)c(C[C@@H](CBr)C2CCCCCC2)c1 696864402 FOZFMBQFLYTYFZ-AWEZNQCLSA-N 455.605 6.469 50 10 JKGE O=C(NC1(CBr)CCCCCC1)c1scc(Br)c1Br 713473533 SMKVDBSYXDRLHG-UHFFFAOYSA-N 474.056 5.491 50 10 JKGE Brc1cc([C@H](Br)Cc2ccncc2)ccc1I 721576241 DKMZONCJKGGJAW-LLVKDONJSA-N 466.942 5.127 50 10 JKGE Cc1cc(C=NNC(=O)C(=O)Nc2ccc(C(C)C)cc2)c(C)n1-c1ccc(Cl)cc1Cl 725409394 WMWQXILPVFJNKL-UHFFFAOYSA-N 471.388 5.613 50 10 JKGE C=CCN1C(=O)C(=NNC(=O)c2ccc(OCCCCCCCCCC)cc2)c2ccccc21 1083905409 WVSGGHNVVGECIO-UHFFFAOYSA-N 461.606 5.873 50 10 JKGE CCc1ccccc1NC(=O)C(=O)NN=Cc1ccc(OCc2c(Cl)cccc2Cl)cc1 1084049875 LPVWIZGFPAEMJK-UHFFFAOYSA-N 470.356 5.224 50 10 JKGE CCn1c2ccccc2c2cc(C=NNC(=O)COc3ccc(Br)c(C)c3)ccc21 1084371917 ATJYKGKZVJBSIA-UHFFFAOYSA-N 464.363 5.414 50 10 JKGE Cc1ccc(NC(=O)c2oc3c(c2C)C(=NNC(=O)c2ccc(F)cc2)CCC3)c(Br)c1 1772744948 NIDIMHNIGLALGH-UHFFFAOYSA-N 498.352 5.521 50 10 JKGE CCc1nn(Cc2ccc(Cl)c(Cl)c2)c2c1[C@@H](c1ccc(C(C)(C)C)cc1)C(C#N)=C(N)O2 1865682055 DUICEDZGRVFPMS-QFIPXVFZSA-N 481.427 6.316 50 10 JKGE CCCCCOc1ccc([C@H]2C(C#N)=C(N)Oc3c2c(C)nn3-c2ccc(Br)cc2)cc1 1865690267 NBOIDPQIDBEJGJ-QHCPKHFHSA-N 493.405 5.730 50 10 JKGE N#CC1=C(N)Oc2c(c(C(F)(F)F)nn2-c2ccc(Cl)cc2)[C@@H]1c1c[nH]c2ccccc12 1865700124 LJVWWYBBHKJAGQ-KRWDZBQOSA-N 455.827 5.244 50 10 JKGE CCc1ccc([C@H]2C(C#N)=C(N)Oc3c2c(-c2ccccc2)nn3Cc2cccc(Cl)c2)cc1 1865708692 CVGTZBZCCYXFGJ-DEOSSOPVSA-N 466.972 6.032 50 10 JKGE CCCn1nc(-c2ccc(OC)cc2)c2c1OC(N)=C(C#N)[C@@H]2c1ccc(C(F)(F)F)cc1 1865711492 ZSFWFPUHZIRSKR-IBGZPJMESA-N 454.452 5.206 50 10 JKGE Cc1nc(-c2ccc(Cl)c(Cl)c2)ccc1C(=O)NNC(=O)c1ccc(OCC(C)C)cc1 1865759257 QGOULAFGKNFMFG-UHFFFAOYSA-N 472.372 5.473 50 10 JKGE C[C@@H]1CN(c2cc(Nc3ccc(SC#N)cc3)nc(-c3cccnc3)n2)C[C@@H](C)N1c1ccccc1 1868566179 VWLOHYPEIOHXES-NHCUHLMSSA-N 493.640 5.959 50 10 JKGE CC(C)c1ccc(-c2csc(/C(C#N)=C(\O)c3ccc(N4CCCC4)c([N+](=O)[O-])c3)n2)cc1 1872752279 UZITZVMKACEJEQ-GFMRDNFCSA-N 460.559 6.392 50 10 JKGE CCCCCCCOc1ccc(-c2csc(/C(C#N)=C(\O)c3ccc([N+](=O)[O-])cc3)n2)cc1 1872753377 UOMNLSJEUPIQRP-GYHWCHFESA-N 463.559 7.017 50 10 JKGE C[C@@H](Oc1ccc(Cl)cc1Br)/C(O)=C(\C#N)c1nc(-c2ccc(F)cc2F)cs1 1872818162 PHQAGSBHXBYMRJ-OIURLTOFSA-N 497.748 6.764 50 10 JKGE Cl[C@H](c1ccc(OCc2ccccc2)cc1Br)c1sccc1Br 1899877388 RDRSSQHLXNJLLO-QGZVFWFLSA-N 472.629 7.180 50 10 JKGE Brc1cccc(Br)c1C[C@@H]1CCCCCCCC[C@@H]1Br 1913417721 WEMMIZAZPOUGJK-ZFWWWQNUSA-N 467.083 7.268 50 10 JKGE C[C@@H](CCl)N(Cc1ccccc1)C(=O)c1cc(Br)c(Br)s1 1914224985 LJNKNCKJSGQMDQ-JTQLQIEISA-N 451.611 5.543 50 10 JKGE C[C@@H](CBr)N(Cc1ccccc1)S(=O)(=O)c1cc(Cl)c(Br)s1 1914353947 VOMOORYWAWOPJE-JTQLQIEISA-N 487.666 5.138 50 10 JKGE O=C(c1ccccc1OCc1ccccc1)N(Cc1ccccc1)C1(CBr)CCC1 1915750238 SVMIFQATIGCKOO-UHFFFAOYSA-N 464.403 6.226 50 10 JKGE Cc1c(Br)sc([C@H](Cl)c2cc3ccc(F)cc3s2)c1Br 1922895867 AEHIGKBILAVSLG-GFCCVEGCSA-N 454.611 7.264 50 10 JKGE O=C(N[C@H](CBr)CC1CCCC1)c1cc(Br)cc(Br)c1 1926738282 YLBHLVFVFPTFNW-AWEZNQCLSA-N 468.027 5.285 50 10 JKGE CCc1sc(Br)cc1[C@H](Cl)c1csc(Br)c1Br 1945183881 PRTSKWZJGIBPRP-JTQLQIEISA-N 479.484 6.988 50 10 JKGE Clc1cc(Br)c([C@@H](Cl)c2c(Br)cccc2Br)s1 1948827992 GKLSRSTZKXASAC-JTQLQIEISA-N 479.846 7.017 50 10 JKGE CC(C)(C)OC(=O)NCCN(CCCCCCCCCBr)Cc1ccccc1 1955949629 QTXVKZGAUNAKKH-UHFFFAOYSA-N 455.481 6.139 50 10 JKGE Cc1cc2nc(CCl)n(CCCN(Cc3ccccc3)Cc3ccccc3)c2cc1Br 1996642493 UZZKZXDETPARBM-UHFFFAOYSA-N 496.880 6.939 50 10 JKGE Fc1ccc([C@H](Br)c2c(Cl)cccc2Br)cc1Br 2050313652 YDLHGRLVGXWGIC-ZDUSSCGKSA-N 457.362 6.488 50 10 JKGE FC1(F)CC[C@@H]2[C@H]([C@@H](Br)c3c(Br)sc(Br)c3Cl)[C@@H]21 2051238221 HZMXVQURPPZTQH-GFKUXRSRSA-N 485.413 6.654 50 10 JKGE Cc1c(Br)sc([C@H](Br)C2CC3(C2)CC32CC2)c1Br 2064002777 QAZGQPZHDZHOMB-MHMQJKDYSA-N 455.053 6.598 50 10 JKGE C[C@]1([C@@H](Br)c2cc(Br)sc2Br)CCCC(F)(F)C1 2068383537 IPGVHBSRDMPNGP-ONGXEEELSA-N 467.011 6.925 50 10 JKGE BrCc1cc(Br)ccc1N1CCC[C@H]1[C@@H]1CCN(Cc2ccccc2)C1 2089000651 ODHAINQEPAJPAK-NQIIRXRSSA-N 478.272 5.835 50 10 JKGE CCC[C@@H]1CC[C@@H](Br)[C@H](Cc2cccc(Br)c2Br)C1 2092334251 GTSFIWQZEFGSQN-KWCYVHTRSA-N 453.056 6.734 50 10 JKGE CC(C)(C)C[C@@H](CBr)CNC(=O)c1csc(Br)c1Br 2100093959 QCHZIKHEKXLXAH-QMMMGPOBSA-N 476.072 5.450 50 10 JKGE O=C(c1cc(Br)c(Br)s1)N1[C@H](CBr)C[C@H]2CCC[C@H]21 2108392310 RAZDPQKXXVSTOK-KHQFGBGNSA-N 472.040 5.051 50 10 JKGE COc1ccc([C@@H](Br)c2sc(Br)c(C)c2Br)c(Cl)c1 2109670916 XHKFRUBDERPKLZ-LLVKDONJSA-N 489.454 6.728 50 10 JKGE Cc1ccc(Br)c(F)c1C[C@H](Br)c1ccccc1Br 2113436165 HMZQUSBEBNTFOF-AWEZNQCLSA-N 450.971 6.338 50 10 JKGE C[C@H]1OCC[C@@H]1CC(CBr)(CBr)c1cccc(Br)c1 2121121466 BIVRLUCQMRZFNL-VXGBXAGGSA-N 455.028 5.292 50 10 JKGE FC(F)(C1CCCCC1)[C@H](Br)c1cc(Br)ccc1Br 2128820771 RAZGNQKHNDHZBI-CYBMUJFWSA-N 460.982 6.863 50 10 JKGE CC(F)(F)C1(COc2c(Br)cc(CBr)cc2Br)CC1 2134774769 CTJKLBLXYPFKJY-UHFFFAOYSA-N 462.954 5.921 50 10 JKGE Fc1cc(Br)c([C@@H](Cl)c2ccc(OCc3ccccc3)cc2)c(F)c1Cl 2136953564 CCVXUYYYINPORD-SFHVURJKSA-N 458.129 7.288 50 10 JKGE Cc1cc(Br)c([C@@H](Br)c2cc(F)ccc2F)cc1Br 2138572152 KMELEPWNCGUBSV-CQSZACIVSA-N 454.934 6.283 50 10 JKGE Cc1c(Br)ccc([C@@H](Br)[C@H]2CCCC3(CC3)C2)c1Br 2138860586 BNFFBDDEIMSLNS-NHYWBVRUSA-N 451.040 6.926 50 10 JKGE Cc1c(Br)ccc([C@H](Br)[C@]23COC[C@@H]2C3(F)F)c1Br 2138871086 MCZATRFNHSDAIE-DLOVCJGASA-N 460.938 5.238 50 10 JKGE CC(C)[C@@H]1CC[C@H](Br)[C@H](Cc2ccc(I)c(Cl)c2)C1 2142954231 VZGDFWSSEWSALF-MCIONIFRSA-N 455.605 6.323 50 10 JKGE FC1(F)C[C@]12CCC[C@H]([C@@H](Cl)c1c(Br)sc(Br)c1Cl)C2 2156117658 SSVAUOGUQDGFMA-BLYIZYRKSA-N 469.016 7.422 50 10 JKGE CCc1cc(Br)ccc1Oc1c(CBr)ccc(Br)c1Cl 2197473403 MAQDRSBFKSFRIG-UHFFFAOYSA-N 483.425 7.115 50 10 JKGE Cc1cc(Br)c(C)c([C@H](Br)C2CC(CC3CC3)C2)c1Br 2201077842 LUAWFTOLGPTHIU-QWQCLYJRSA-N 465.067 7.091 50 10 JKGE CCCCC1CCC([C@@H](Br)c2ccc(Br)cc2Br)CC1 2203684420 GYTDDHPNKCHSST-QWQCLYJRSA-N 467.083 7.644 50 10 JKGE CCN(C(=O)c1scc(Br)c1Br)[C@@H]1CCC[C@@H]1Br 2217702267 BWNMXIMSUAWGGG-IONNQARKSA-N 460.029 5.051 50 10 JKGE CCOCc1cc(Br)c([C@@H](Cl)c2cc(I)sn2)s1 2217987477 JQSXUYNQPMZRTK-JTQLQIEISA-N 478.602 5.436 50 10 JKGE BrCC(CBr)(Cc1cscc1Br)c1ccccc1 2219923576 VDRZHWXFYSRMMV-UHFFFAOYSA-N 453.037 5.781 50 10 JKGE Cc1ccc(Br)c([C@H](Cl)c2cc(Br)c(Br)cc2F)c1 2225635924 XYNSCCUXECGOCS-AWEZNQCLSA-N 471.389 6.750 50 10 JKGE Cc1sc(Br)c(C)c1[C@@H](Br)Cc1ccc(Br)cc1F 2225859735 JJBDYWXHVUVOPE-NSHDSACASA-N 471.027 6.708 50 10 JKGE CCn1ncc(Br)c1[C@@H](Br)Cc1ccc(Br)cc1Cl 2229150831 HMXSJICOFNGNCX-JTQLQIEISA-N 471.418 5.760 50 10 JKGE CC1(CO[C@@]2(CBr)CCCN(C(=O)OC(C)(C)C)C2)CC2(CC(F)(F)C2)C1 2239153348 UBIRJFGGLDQPRT-LJQANCHMSA-N 452.380 5.383 50 10 JKGE Clc1cc([C@H](Br)c2cccc(Cl)c2Br)sc1Br 2248097738 GQMDWPLEWICQDD-SNVBAGLBSA-N 479.846 7.064 50 10 JKGE CCOc1ccc([C@@H](Br)c2scc(Br)c2Cl)c(Br)c1 2264587008 AAFPRBUEBDUOGG-LLVKDONJSA-N 489.454 6.810 50 10 JKGE Fc1ccc(C[C@H](Br)c2ccc(Cl)c(I)c2)cc1F 2268323618 RVCFACVETKCTFQ-JTQLQIEISA-N 457.483 5.902 50 10 JKGE CC1CC2(C1)CC(CBr)(Cc1cc(Cl)ccc1I)C2 2272230850 XPIWGFUKNNYRPU-UHFFFAOYSA-N 453.589 6.079 50 10 JKGE Cc1cc(C(F)(F)F)sc1[C@H](Br)c1cc(Br)c(Cl)s1 2277706576 RHKZIUNNGMIJAA-MRVPVSSYSA-N 454.558 7.037 50 10 JKGE CN(Cc1ccc(I)cc1)c1c(F)cc(CBr)cc1F 2280338319 RKBHPEYLTQEVDZ-UHFFFAOYSA-N 452.080 5.101 50 10 JKGE Cc1sc(Br)c(C)c1[C@H](Br)c1cc(Br)cc(C(C)C)c1 2280677640 UGPNZNFYEOBZEM-OAHLLOKOSA-N 481.091 7.498 50 10 JKGE COc1cc(C)c(Br)c(C)c1[C@@H](Br)c1scc(Cl)c1Cl 2285062595 FPHUKQUSVCKKMJ-GFCCVEGCSA-N 459.030 6.927 50 10 JKGE C[C@@H](Cl)c1nc2cnc(C(C)(C)C)nc2n1CCCN(Cc1ccccc1)Cc1ccccc1 2286724015 IPXINVOEMSGRPM-OAQYLSRUSA-N 476.068 6.516 50 10 JKGE C=CC[C@]1(CBr)CCCCN1C(=O)c1scc(Br)c1Br 2287750112 DWPFUJZDOUJDPU-CQSZACIVSA-N 486.067 5.609 50 10 JKGE COc1c(Br)cc(Cl)c(C)c1[C@@H](Cl)c1nc(C)sc1Br 2295381863 UIXXAIMWFHHAFX-SNVBAGLBSA-N 460.018 6.275 50 10 JKGE COc1ccc([C@@H](Br)c2cc3sc(Br)cc3s2)c(Cl)c1 2295491999 DZHFYOYVGRJESM-CQSZACIVSA-N 452.620 6.872 50 10 JKGE CCc1ccc(-c2csc(C(C#N)=CNc3cc4oc5ccccc5c4cc3OC)n2)cc1 2295956219 GVCLOJGSQXHETE-UHFFFAOYSA-N 451.551 7.257 50 10 JKGE N#CC(C(=O)Nc1ccc(Cl)cc1)=C1S[C@H](Cc2ccccc2)C(=O)N1c1ccccc1 2295987691 RXJIQXNHXXVKOX-JOCHJYFZSA-N 459.958 5.405 50 10 JKGE N#CC(=Cc1c(Cl)cccc1Cl)c1nc(-c2ccccc2)c(NC(=O)c2ccccc2)s1 2296717899 GSHKPXFNFRDCPL-UHFFFAOYSA-N 476.388 7.433 50 10 JKGE N#CC(=Cc1ccc(OC(=O)c2cccc(Cl)c2)cc1)C(=O)Nc1ccc(Cl)cc1[N+](=O)[O-] 2297551606 UIXPTVYEQNFICY-UHFFFAOYSA-N 482.279 5.666 50 10 JKGE Cl[C@H](c1c(Br)sc(Br)c1Br)[C@@H]1C[C@@H]2CC[C@H]1C2 2298417163 JMQHOTGRXQDVRH-LGVNZDMBSA-N 463.460 6.752 50 10 JKGE Cl[C@@H](c1c(Br)sc(Br)c1Br)[C@@H]1C[C@@H]2CC[C@H]1C2 2298421356 JMQHOTGRXQDVRH-JTGULSINSA-N 463.460 6.752 50 10 JKGE C[C@@H]1CC[C@@H](C[C@@H](Br)c2ccc(OCc3ccccc3)cc2Br)O1 2299487948 BKOIMSDPDNBTHP-CFLQYTFWSA-N 454.202 6.422 50 10 JKGE CC(F)(F)[C@@H]1C[C@@H]1[C@@H](Br)c1cc(Br)ccc1OCc1ccccc1 2299508641 KFAOVFVAERVLCS-YXJHDRRASA-N 460.156 6.755 50 10 JKGE C[C@]1(C(F)F)C[C@H]1[C@@H](Br)c1ccc(OCc2ccccc2)cc1Br 2299532320 FVOACRKMFKTPDB-IEZWGBDMSA-N 460.156 6.755 50 10 JKGE Cc1scc([C@@H](Cl)c2sc(Br)c(C)c2Br)c1Br 2303644976 XCFHSISQCXVZDO-SECBINFHSA-N 479.484 7.042 50 10 JKGE FC1([C@@H](Br)c2cc(Br)ccc2OCc2ccccc2)CC2(CCC2)C1 2314456330 WIZQLGRSTLUASJ-IBGZPJMESA-N 468.204 7.137 50 10 JKGE Brc1ccc(OCc2ccccc2)c([C@@H](Br)[C@H]2[C@H]3CCCCC[C@H]32)c1 2314461539 QUBFPBITECVACY-GMQQQROESA-N 464.241 7.290 50 10 JKGE CC[C@@]1(C)[C@H](Br)CCN1C(=O)c1csc(Br)c1Br 2315146147 GYVVTZYJMIFSPC-PELKAZGASA-N 460.029 5.051 50 10 JKGE C[C@@H]1CC[C@H]([C@@H](Br)c2c(Cl)cc(Br)c(F)c2Br)C1 2315441027 BDSGGEPJHMAPNI-PTZCXBDSSA-N 463.410 6.876 50 10 JKGE C[C@@H]1OCC[C@H]1[C@@H](Br)c1c(Cl)cc(Br)c(F)c1Br 2315450183 ZHJHUPWCSUTJTK-BAJZRUMYSA-N 465.382 5.865 50 10 JKGE CCOc1ccc(OCC(=O)Oc2ccc(C=C(C#N)c3ccc(OC)c(OC)c3)cc2)cc1 2320506784 RNDQQINOYPKOHO-UHFFFAOYSA-N 459.498 5.151 50 10 JKGE CCCCCCCCCOc1ccc(C=C(C#N)c2nc(O)c3ccccc3n2)cc1Br 2331029966 JVVOVOFZNZGQPR-UHFFFAOYSA-N 494.433 7.291 50 10 JKGE Cc1ccc(OCCCC(O)=C(C#N)c2nc(-c3ccc(-c4ccccc4)cc3)cs2)cc1 2331232021 IBHHJICQQWBXAZ-UHFFFAOYSA-N 452.579 7.437 50 10 JKGE CC(C)(C)c1ccc(C(=O)NCC(O)=C(C#N)c2nc(-c3cccc(Br)c3)cs2)cc1 2331279298 GPMQXDATWPYFLL-UHFFFAOYSA-N 496.430 6.093 50 10 JKGE CCOc1ccc(C=C(C(O)=C(C#N)c2nc(-c3ccc(OCC)cc3)cs2)c2ccccc2)cc1 2331305558 SYHBKXVQIQWZMF-UHFFFAOYSA-N 494.616 7.641 50 10 JKGE CCOC(=O)Oc1ccc(C(O)=C(C#N)c2nc(-c3ccc(Oc4ccccc4)cc3)cs2)cc1 2331358805 QCKVUVFFQSXVCQ-UHFFFAOYSA-N 484.533 7.088 50 10 JKGE COc1cc(-c2csc(C(C#N)=C(O)c3cc([N+](=O)[O-])ccc3Cl)n2)c(OC)cc1Cl 2331377403 UIQBSTQFYICJFG-UHFFFAOYSA-N 478.313 5.992 50 10 JKGE COc1cc(C=CC(O)=C(C#N)c2nc(-c3c(C)cc(C)cc3C)cs2)cc(OC)c1OC 2331394029 VCTGOICQOUGAKL-UHFFFAOYSA-N 462.571 6.267 50 10 JKGE C=CCOc1ccccc1OCC(O)=C(C#N)c1nc(-c2ccc(OC)c(Cl)c2)cs1 2331398445 VTMSSHRFQTWWMK-UHFFFAOYSA-N 454.935 5.909 50 10 JKGE COc1ccc(-c2csc(C(C#N)=C(O)c3ccc(N4CCCC4)c([N+](=O)[O-])c3)n2)cc1Cl 2331399546 VWAGKOHGFAQIRB-UHFFFAOYSA-N 482.949 5.930 50 10 JKGE CCCCc1ccc(-c2csc(C(C#N)=Cc3ccc(N(CC)Cc4ccccc4)cc3)n2)cc1 2331430050 GKWYBTRTWFTFNQ-UHFFFAOYSA-N 477.677 8.243 50 10 JKGE CC[C@](C)(C(F)F)[C@H](Br)c1c(Br)cc(C)c(Br)c1C 2336618123 ICZBKTIIOCSMGZ-OCCSQVGLSA-N 462.998 6.946 50 10 JKGE CC(C)C[C@@H]1C[C@@H]1[C@H](Br)c1c(Cl)cc(Br)c(F)c1Br 2337094262 NIJGWRQXZVKFRO-LWINAJNOSA-N 477.437 7.122 50 10 JKGE CC(F)(F)c1ccc([C@@H](Cl)c2ccc(OCc3ccccc3)cc2Br)cc1 2361214892 OYWXIXXNGFWPCS-OAQYLSRUSA-N 451.738 7.468 50 10 JKGE COc1c(Br)cc(Cl)cc1[C@@H](Br)c1c(Br)nc(C)n1C 2362482395 FCQFVTJDUZLEIW-SNVBAGLBSA-N 487.417 5.400 50 10 JKGE COc1ccc(CBr)c(OCc2c(Br)cccc2Br)n1 2366214574 IIQTXLMENQFXBO-UHFFFAOYSA-N 465.967 5.089 50 10 JKGE COc1c(F)cc([C@H](Br)c2ccc(I)c(C)c2)cc1F 2370435847 ACNHWHDTLNHEDP-CQSZACIVSA-N 453.064 5.371 50 10 JKGE ClC[C@@H]1C[C@@H]2C[C@H](C1)CN(Cc1ccc(I)c(Br)c1)C2 2377353047 NSBOQVCBICLNKQ-ZSOGYDGISA-N 468.604 5.141 50 10 JKGE CCN(C[C@@](C)(CBr)OCC1CCC(C(F)(F)F)CC1)C(=O)OC(C)(C)C 2381557773 HYVZTAQJFPZOMO-JTTJXQCZSA-N 460.375 5.782 50 10 JKGE CC[C@@H](Nc1ccccc1)C(=O)N/N=C/c1ccccc1OCc1cccc(Br)c1 1953114 MZIYNZLPFLDQEQ-XDEFOSFOSA-N 466.379 5.369 50 10 JKGE CCOc1ccccc1N/C(SCc1cccc(F)c1)=C(/C#N)C(=O)NCc1ccccc1 3052490 AZXZLNSKGILNHD-XTCLZLMSSA-N 461.562 5.621 50 10 JKGE Cc1cc(C)c(OCC(=O)N/N=C/c2ccc(-c3cccc(C(F)(F)F)c3)o2)c(Br)c1 9948575 NYJFFIFCUYKAOW-LUOAPIJWSA-N 495.295 5.874 50 10 JKGE O=C(CSc1nc2ccccc2s1)N/N=C/c1cccc(OCc2cccc(Cl)c2)c1 32520700 VMSGGRKMDOOEIP-DHRITJCHSA-N 468.003 5.771 50 10 JKGE CCOC(=O)c1c(NC(=O)/C(C#N)=C\c2cccn2-c2ccc([N+](=O)[O-])cc2)sc2c1CCCC2 33768294 LNNGVSQUKAWUFP-PEZBUJJGSA-N 490.541 5.048 50 10 JKGE CCCOc1ccccc1/C=C(/C#N)C(=O)Nc1scc(-c2ccc(OC)cc2)c1C(=O)OCC 34367895 APLROMMNYXLSAO-HKWRFOASSA-N 490.581 5.935 50 10 JKGE Cc1cc(OCC(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@@H]3c2ccc(C(C)C)cc2)ccc1Cl 38649564 ZIGGYBPBTOAGBT-HHHXNRCGSA-N 488.971 5.974 50 10 JKGE CCCCCOc1ccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4ccc(C)cc4)ccc32)cc1OC 38660217 KCCIDWZRRFBPGB-MUUNZHRXSA-N 498.579 6.010 50 10 JKGE Cc1c(C(=O)NNc2ccccc2)oc2c1/C(=N/NC(=O)c1ccc(Cl)cc1Cl)CCC2 40813712 FPUDLYIMVVRDJO-OVVQPSECSA-N 471.344 5.122 50 10 JKGE CCOc1cc(/C=C(\C#N)C(=O)NCc2ccc(OC)cc2)ccc1OCc1cccc(C)c1 59232805 GYGDXPBNVOZKMW-BUVRLJJBSA-N 456.542 5.205 50 10 JKGE N#C/C(=C\c1ccc(-c2cc(Cl)ccc2Cl)o1)C(=O)N1CCN(c2ccccc2)CC1 59676679 JUGLZJOPVGIDSX-SAPNQHFASA-N 452.341 5.509 50 10 JKGE N#C/C(=C/c1cn(Cc2cccc(Cl)c2)c2ccccc12)C(=O)Nc1ccccc1[N+](=O)[O-] 98005723 UYYWWUUGAKLJOK-AQTBWJFISA-N 456.889 5.797 50 10 JKGE CC1=C(C#N)C(=O)N(Cc2ccc(F)cc2)C(=O)/C1=C/c1ccc(OCc2ccc(F)cc2)cc1 101340636 HXIQKJHBFDTNFH-AFUMVMLFSA-N 470.475 5.336 50 10 JKGE COc1cc(N/C=C(/C#N)c2nc(-c3cccc(Br)c3)cs2)c(C)cc1[N+](=O)[O-] 102467485 AMRFEFHCZOAGPG-UVTDQMKNSA-N 471.336 5.774 50 10 JKGE Cc1ccc(S(=O)(=O)/C(C#N)=C\c2cn(-c3ccccc3)nc2-c2ccc3c(c2)C[C@H](C)O3)cc1 102861642 DPOWYYLKEVAQAM-ZWXNIRCYSA-N 481.577 5.510 50 10 JKGE CCOC(=O)c1sc(N/C=C(\C#N)c2nc(-c3ccc(CC)cc3)cs2)c(C(=O)OCC)c1C 102924542 MDAHZTLTKKEBFL-QGOAFFKASA-N 495.626 6.072 50 10 JKGE CCCCCCCCOc1ccc(/C=C(/C#N)c2nc3sc4c(c3c(=O)[nH]2)CCCC4)cc1 102965310 WLQMYYIJAHZNDU-JZJYNLBNSA-N 461.631 6.667 50 10 JKGE BrCC(CBr)(Cc1cccs1)c1ccc(Br)cc1 118671775 KNVHYMZLSJMVLB-UHFFFAOYSA-N 453.037 5.781 50 10 JKGE Fc1ccc(CC(CBr)(CBr)c2ccc(Br)cc2)cc1 118878523 UYMLCWXKLUJCTA-UHFFFAOYSA-N 464.998 5.859 50 10 JKGE FC(F)(F)c1cc([C@H](Br)Cc2cccc(Br)c2)ccc1Br 124677799 GZPMBJFUTPWLLM-CQSZACIVSA-N 486.951 6.909 50 10 JKGE COc1ccc(C)cc1[C@H](Cl)c1cc(I)ccc1Br 234848245 DLNKDQXHYVETNI-OAHLLOKOSA-N 451.529 5.699 50 10 JKGE Fc1ccc([C@H](Br)c2ccc(Cl)cc2Br)cc1Br 236249538 WMNRZJGHRKMLSD-ZDUSSCGKSA-N 457.362 6.488 50 10 JKGE CCOc1cc(C=NNC(=O)CSc2ccc(Cl)cc2)ccc1OCc1ccccc1 252606813 GVPPMKNQHZDCGH-UHFFFAOYSA-N 454.979 5.560 50 10 JKGE O=C(NN=Cc1ccccc1C(F)(F)F)c1cc(-c2ccc(-c3ccccc3)cc2)nc2ccccc12 254291917 BZPYDLRMVDXURJ-UHFFFAOYSA-N 495.504 7.352 50 10 JKGE CCCCCCCCCCCCCC(=O)NCC(=O)NN=Cc1ccccc1OCc1ccccc1 254395841 ZYXSVXGWQORQBK-UHFFFAOYSA-N 493.692 6.533 50 10 JKGE CC(=NNC(=O)c1ccc(-n2c(C)ccc2C)cc1)c1ccc2c(c1)Nc1ccccc1S2 254490213 QVODVDYXDYJZFX-UHFFFAOYSA-N 452.583 6.456 50 10 JKGE CC(=NNC(=O)c1ccc(COc2cccc3cccnc23)cc1)c1ccc(OC(F)F)cc1 254705719 APZNTTVMILLLQC-UHFFFAOYSA-N 461.468 5.569 50 10 JKGE CCN(C[C@](C)(CI)OC[C@H]1CCC[C@@H](C)C1)C(=O)OC(C)(C)C 304192648 VSMFJCFYMQTPHJ-GJYPPUQNSA-N 453.405 5.280 50 10 JKGE CC[C@@H](Br)c1cn(-c2c(Br)cc(Cl)cc2Br)nn1 305941963 RNHQVURAUCTZQO-SSDOTTSWSA-N 458.379 5.292 50 10 JKGE N#C/C(=C1/CCCN(C(=O)OCc2ccccc2)C1)c1ccccc1I 309990096 ZJOCMQVDFCQEPY-HTXNQAPBSA-N 458.299 5.001 50 10 JKGE Cc1cc(Br)c([C@@H](Cl)c2cc(Br)ccc2Br)cc1Cl 311664153 XCBSYZRJRWSQKG-AWEZNQCLSA-N 487.844 7.264 50 10 JKGE O=C1Cc2cc([C@H](Br)c3ccc(Br)cc3)c(Br)cc2N1 312539166 IARMDFDOCYLNHS-OAHLLOKOSA-N 459.963 5.191 50 10 JKGE O=C(Cc1nc(CCl)cs1)Nc1c(Br)cc(Cl)cc1Br 379597794 XAFRPYREGIXUQP-UHFFFAOYSA-N 458.990 5.242 50 10 JKGE Cc1cc([C@H](Br)c2scc(C(F)(F)F)c2Br)ccc1Br 380162564 WLIYKODRGVBJGD-JTQLQIEISA-N 492.980 7.085 50 10 JKGE ClCCc1nc2cc(I)ccc2n1C[C@H]1CCCN1Cc1ccccc1 390563290 KYYPZMLSCPPKKC-GOSISDBHSA-N 479.793 5.087 50 10 JKGE Cc1cccc([C@H](Br)c2cc(Cl)c(Cl)c(Cl)c2Cl)c1Br 404642995 DRHDOUMYAHECII-NSHDSACASA-N 477.838 7.855 50 10 JKGE COc1ccc(Br)c(COc2cc(Br)ccc2CBr)c1 691449946 MORVHYWIASEHNA-UHFFFAOYSA-N 464.979 5.694 50 10 JKGE Cl[C@H](Cc1ccccc1Br)c1cc(Br)ccc1Br 692426603 PZPOVMIATZYUMH-CQSZACIVSA-N 453.399 6.497 50 10 JKGE C[C@H](Br)C[C@H]1CCCCN1C(=O)c1scc(Br)c1Br 705420382 RMEKHMFDSYJJJS-DTWKUNHWSA-N 474.056 5.441 50 10 JKGE FC(F)(F)c1cc(Cl)ccc1[C@H](Br)c1cc(Cl)c(Br)s1 712617607 AUGGRZMDWZINFO-JTQLQIEISA-N 468.947 7.321 50 10 JKGE CC1(C)CCC[C@@H](COc2c(Br)cc(Br)cc2CBr)O1 714358631 CBTBBYFDKVWZFV-LBPRGKRZSA-N 471.027 5.833 50 10 JKGE CCOc1ccc(S(=O)(=O)Nc2ccc(C(=O)NN=C/C=C(/C)CCC=C(C)C)cc2)cc1 886005267 ZGYVXVAOZZEXOZ-GPUCESTJSA-N 469.607 5.294 50 10 JKGE CCCCCCCCCCC[C@@H]1C[C@@H](O[Si](C)(C)C(C)(C)C)[C@@H](CCCCCC)C1=O 1073184351 AMUVGKBEOSNRLV-TWJOJJKGSA-N 452.840 9.473 50 10 JKGE Cc1cc(C=NNC(=O)CSc2nc3ccccc3s2)c(C)n1-c1ccc(C(=O)O)c(Cl)c1 1083916563 KTKVVXWAOMMBKZ-UHFFFAOYSA-N 499.017 5.298 50 10 JKGE CN(C)c1ccc(C=NNC(=O)CSc2c(Cl)c(Cl)c(Cl)c(Cl)c2Cl)cc1 1084301083 UFQOPGXRQBGTGZ-UHFFFAOYSA-N 485.651 6.262 50 10 JKGE COc1cc(C=NNC(=O)c2cccc(Cl)c2)cc(Br)c1OCc1ccccc1 1084563747 BIQYAFOESPLFQB-UHFFFAOYSA-N 473.754 5.454 50 10 JKGE COc1cc(/C=C(\C#N)C(=O)Nc2cccc(Cl)c2Cl)ccc1OCc1ccc(C)cc1 1084617417 IIGWFPGSQQHPEQ-XDHOZWIPSA-N 467.352 6.435 50 10 JKGE CC(C)(C)OC(=O)NN(C(=O)c1cc(Cl)cc(Cl)c1)C(C)(C)COCc1ccccc1 1088715394 VZSVFNHWPLILAJ-UHFFFAOYSA-N 467.393 5.871 50 10 JKGE Cc1cc(OCC(=O)NN=Cc2ccc(C(C)(C)C)cc2)c(Br)c(C)c1Cl 1772756535 NEJKVGAFEIRARC-UHFFFAOYSA-N 451.792 5.546 50 10 JKGE COc1ccc(-c2nn(Cc3ccc(C)cc3)c3c2[C@H](c2ccc(C(C)C)cc2)C(C#N)=C(N)O3)cc1 1865684869 AWEGCCXUHIDMTG-HHHXNRCGSA-N 490.607 6.257 50 10 JKGE Cc1ccc(O)c([C@@H]2C(C#N)=C(N)Oc3c2c(-c2ccccc2)nn3-c2ccc(Br)cc2)c1 1865687738 ZDTLWGVJTZAYOP-JOCHJYFZSA-N 499.368 5.534 50 10 JKGE CCCOc1c(OC)cccc1[C@H]1C(C#N)=C(N)Oc2c1c(CC)nn2-c1ccc(Cl)c(Cl)c1 1865693411 OCESIGNILMIGKY-NRFANRHFSA-N 499.398 5.757 50 10 JKGE N#CC1=C(N)Oc2c(c(C(F)(F)F)nn2Cc2ccc(Cl)c(Cl)c2)[C@H]1c1ccco1 1865697903 FESKXWGZLDEUKN-CQSZACIVSA-N 455.223 5.068 50 10 JKGE CCCC[C@H](NC(=O)C[C@H](CC(C)C)c1ccc(F)cc1)C(=O)Nc1ccc(SC#N)cc1 1867105459 VWEBQZNJKXCOLK-RDPSFJRHSA-N 469.626 6.232 50 10 JKGE COc1cccc([C@H](C)CC(=O)N[C@H](Cc2ccc(F)cc2)C(=O)Nc2ccc(SC#N)cc2)c1 1867107482 NZQNSAQCWXJSJF-IQGLISFBSA-N 491.588 5.267 50 10 JKGE COc1cccc(-c2nc(Nc3ccc(SC#N)cc3)cc(N3CCO[C@H](c4ccncc4)C3)n2)c1 1868505931 NUXLORNXSYIZOU-DEOSSOPVSA-N 496.596 5.442 50 10 JKGE COc1ccc(-c2csc(/C(C#N)=C(O)/C=C/c3ccc(OC)c(OC)c3)n2)c(OC)c1 1872755427 MMUBXRLAMVGUPH-MBEHLEGRSA-N 450.516 5.351 50 10 JKGE CCCOc1ccc(-c2csc(/C(C#N)=C(\O)c3ccc(F)c(F)c3F)n2)cc1OCCC 1872818206 RWWZYKQTQVVELG-KQWNVCNZSA-N 474.504 6.755 50 10 JKGE CC1(C)CN(Cc2ccccc2)C[C@H]1n1c(CCl)nc2c(Br)cc(F)cc21 1912670587 RXNIZAQMRBWMDZ-GOSISDBHSA-N 450.783 5.760 50 10 JKGE O=S(=O)(c1ccccc1N(Cc1ccccc1)C1(CBr)CCC1)C(F)(F)F 1915765106 CMZCUFJORVEWPU-UHFFFAOYSA-N 462.331 5.304 50 10 JKGE Cc1c(Br)sc([C@H](Br)[C@@H]2C[C@H]3O[C@H]2[C@@H]2C[C@H]32)c1Br 1922921303 PLEICGJXKACFQF-XGAMTPOYSA-N 457.025 5.441 50 10 JKGE CS(=O)(=O)c1ccc([C@H](Br)c2sc(Br)cc2Br)cc1 1922953314 BSHGZNUYPYXCCW-NSHDSACASA-N 489.048 5.161 50 10 JKGE Cc1cc([C@H](Cl)c2c(Br)sc(Br)c2Cl)ccc1Br 1923038207 HXFQPBOSVUJMKX-VIFPVBQESA-N 493.873 7.326 50 10 JKGE Clc1c(Br)sc(Br)c1[C@H](Br)[C@@H]1C[C@H]2O[C@H]1[C@H]1C[C@@H]12 1923066960 XCOQKHFYBYKKKC-HIFHUJBISA-N 477.443 5.786 50 10 JKGE CC(C)([C@H](Br)c1c(Br)sc(Br)c1Cl)[C@H]1CCCO1 1923067946 KQNAWPHOGZHROR-HZGVNTEJSA-N 481.475 6.568 50 10 JKGE Clc1c(Br)sc(Br)c1[C@@H](Br)C[C@@H]1CCCOCC1 1923068924 YUVBIITXFHGCFF-SFYZADRCSA-N 481.475 6.569 50 10 JKGE CC(C)(CC(F)(F)F)[C@H](Cl)c1c(Br)sc(Br)c1Br 1924617081 XLDHOWNKKQYUHJ-ZCFIWIBFSA-N 493.408 7.294 50 10 JKGE Cc1c(Br)sc([C@@H](Br)C2(Br)CCC2)c1Br 1960899290 GRYJDSCABKZQDT-MRVPVSSYSA-N 481.873 6.335 50 10 JKGE COC1([C@@H](Br)c2c(Br)sc(Br)c2Br)CCC1 1979935347 RPJFDNMWCJACDJ-ZETCQYMHSA-N 497.872 6.041 50 10 JKGE F[C@@H]([C@@H](Cl)c1c(Br)sc(Br)c1Br)C(F)(F)F 1984586266 PTWZUSGXVDZANB-IMJSIDKUSA-N 469.317 6.216 50 10 JKGE CC1(C)CC[C@H]1[C@H](Br)c1c(Br)sc(Br)c1Cl 1987991670 PMAYQWLIARRUEB-FSPLSTOPSA-N 451.449 6.799 50 10 JKGE FC1(F)C[C@]12C[C@@H]2[C@H](Br)c1c(Br)sc(Br)c1Cl 2004506150 GADDLYLVGRCRFD-VBMFSKJDSA-N 471.386 6.408 50 10 JKGE CC1([C@H](Br)c2c(Br)sc(Br)c2Cl)CCOCC1 2005761613 MCONQSCZGASQIY-MRVPVSSYSA-N 467.448 6.179 50 10 JKGE Brc1ccc([C@H](Br)Cc2ccncc2)c(I)c1 2026222468 YUJXCNTWBRHAKX-GFCCVEGCSA-N 466.942 5.127 50 10 JKGE COc1cc(Br)c(C)cc1[C@@H](Br)c1csc(Br)c1 2029250935 DPZUVYDMXDLJHT-ZDUSSCGKSA-N 455.009 6.074 50 10 JKGE C[C@@H]1C[C@H](N(C)c2cc(Br)cc(F)c2CBr)CN1Cc1ccccc1 2051133947 ZPPZDSKTLMOCBI-PBHICJAKSA-N 470.224 5.582 50 10 JKGE Brc1cccc(Br)c1[C@@H](Br)c1ccc(CC2CC2)s1 2094097935 FRWCZTSEVOKPNG-HNNXBMFYSA-N 465.048 6.710 50 10 JKGE Clc1ccc(I)c(CN2C[C@@H](Br)C3(CCCC3)C2)c1 2117749939 TYBCIPOIDKNYDK-CQSZACIVSA-N 454.577 5.084 50 10 JKGE Cc1cc(F)c(Cl)cc1[C@H](Br)c1cccc(C)c1I 2137071887 VKPUJBDVHKICOG-CQSZACIVSA-N 453.520 6.185 50 10 JKGE FC(F)(F)C1([C@@H](Br)c2ccc(Br)cc2Br)CCCC1 2138872627 LIDRUKMSVMETQG-NSHDSACASA-N 464.945 6.770 50 10 JKGE C[C@@H]1Cc2cc([C@@H](Br)c3cccc(OCc4ccccc4)c3)cc(Br)c2O1 2146628136 SNYKUMAOUMRJGX-QRQCRPRQSA-N 488.219 6.836 50 10 JKGE CC[C@@](C)(Cn1c(CCCl)nc2cc(I)ccc21)N(C)Cc1ccccc1 2155093980 MHUDAIRQGYTHQQ-QFIPXVFZSA-N 495.836 5.723 50 10 JKGE CN(C(=O)c1ccc(I)c(Cl)c1)[C@@H]1CCCCC[C@@H]1Br 2172548590 VKXNUDBVMVRAEB-SMDDNHRTSA-N 470.576 5.113 50 10 JKGE CC1(C)[C@H]2CC[C@@H](C2)[C@]1(CBr)Cc1cc(Br)ccc1Br 2175147486 OQIMAUXBKMPZIZ-GDZNZVCISA-N 465.067 6.592 50 10 JKGE C[C@H](Cl)c1nc2cc(I)c(F)cc2n1C[C@H]1C[C@@H](Br)C1 2196942115 IZVVQAGJYNUGHB-XHNCKOQMSA-N 471.539 5.253 50 10 JKGE Cc1cc(Br)c(C)c([C@H](Br)C2CCC(F)(F)CC2)c1Br 2201080612 ZIUQAKMZTTUTHW-CQSZACIVSA-N 475.009 7.090 50 10 JKGE Cc1cc(Br)c(C)c([C@H](Br)[C@]23CO[C@](CF)(C2)C3)c1Br 2202651208 KONIKKFQTBBDIQ-KKUMJFAQSA-N 471.002 5.783 50 10 JKGE CC(C)[C@@H](CBr)N(Cc1ccccc1)C(=O)Cc1ccc(Br)cc1Cl 2221699645 KMRKHGXYOFYQIY-LJQANCHMSA-N 487.663 6.093 50 10 JKGE CC1(C)C[C@@H]([C@H](Br)c2c(Br)cc(Cl)c(Cl)c2Cl)CO1 2224302637 NKOGFLZQUDXXFF-LDWIPMOCSA-N 451.413 6.660 50 10 JKGE C[C@H]1CN(Cc2ccccc2)C[C@@H]1Cn1c(CCl)nc2c(F)cc(Br)cc21 2232913594 FZMCVCSMGZGZBI-GOEBONIOSA-N 450.783 5.445 50 10 JKGE Brc1cccc(CN2CC[C@@H]3[C@H](Br)CCC[C@H]3C2)c1Br 2233851901 CVFVAEXOIWHSIB-FPMFFAJLSA-N 466.055 5.597 50 10 JKGE Fc1cc(Br)c(Br)cc1[C@H](Br)c1ccc2c(c1)COC2 2233974333 FAPLCOMTRBFKGB-OAHLLOKOSA-N 464.954 5.865 50 10 JKGE COc1cc(Br)c([C@@H](Br)c2c(Cl)cccc2Br)cc1C 2236021232 FZBPAQLKHVGZLQ-OAHLLOKOSA-N 483.425 6.666 50 10 JKGE C[C@H](CCBr)N(Cc1ccccc1)C(=O)c1c(F)cccc1I 2243441844 IXNQAYARWWYBJH-CYBMUJFWSA-N 490.154 5.246 50 10 JKGE Cc1sc(Br)cc1[C@@H](Cl)c1ccc(Cl)c(I)c1 2248212435 IKKZENYXDWDJMN-LBPRGKRZSA-N 461.977 6.405 50 10 JKGE Cc1sc([C@H](Br)c2cc(Cl)ccc2Br)c(Br)c1C 2253472687 DNSVKTKXHQGDEP-GFCCVEGCSA-N 473.455 7.028 50 10 JKGE COc1c([C@H](Br)c2ccc(Br)o2)cc(Br)c(C)c1C 2269112153 VNHPHOCQPOZRAY-ZDUSSCGKSA-N 452.968 5.914 50 10 JKGE CS(=O)(=O)c1cscc1[C@H](Br)c1cc(Br)ccc1Br 2272866232 QRBWMWSOEQYSCK-GFCCVEGCSA-N 489.048 5.161 50 10 JKGE COc1c([C@@H](Br)c2scc(C)c2Br)cc(Br)c(C)c1C 2284584017 NQZLPFBBZXDILB-CYBMUJFWSA-N 483.063 6.691 50 10 JKGE Fc1cc(Br)c(F)c(Br)c1[C@@H](Br)C1CCC2(CC1)CC2 2288347715 XDBKOKIZJNKNFW-LBPRGKRZSA-N 472.993 6.896 50 10 JKGE Fc1cc(Br)c(F)c(Br)c1[C@H](Br)[C@@H]1CCCCC1(F)F 2288376799 QABGDQOOAWPUKB-QUBYGPBYSA-N 482.935 6.751 50 10 JKGE CCOc1cc(C=C(C#N)C(=O)Nc2ccccc2)ccc1Oc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] 2293806409 PDKIRUJCOGNGMW-UHFFFAOYSA-N 474.429 5.240 50 10 JKGE N#CC(=Cc1ccc(-c2ccc([N+](=O)[O-])cc2Br)o1)C(=O)Nc1ccc(F)cc1 2294168412 JQDKNOWCMASWAN-UHFFFAOYSA-N 456.227 5.302 50 10 JKGE Cc1cc(C=C(C#N)C(=O)Nc2cc(C(F)(F)F)ccc2Cl)c(C)n1-c1ccc(F)cc1 2295187776 NDPFSOVYELLHGJ-UHFFFAOYSA-N 461.846 6.451 50 10 JKGE COc1c(Br)cc(Cl)cc1[C@H](Br)c1nn(C)c(Br)c1C 2295277801 VFLFOHTVBNRCDB-JTQLQIEISA-N 487.417 5.400 50 10 JKGE COc1cc([C@@H](Br)Cc2cc(Br)cc(Br)c2)ccc1C 2295344939 GBEUBPBAWFSUCP-HNNXBMFYSA-N 463.007 6.207 50 10 JKGE CCOC(=O)C(C#N)=CC=C(Sc1nc2ccc(OCC)cc2s1)c1ccc(Cl)cc1 2297534747 QIQYHELJLCLEGS-UHFFFAOYSA-N 471.003 6.495 50 10 JKGE CC1(C)CC[C@H]([C@H](Br)c2cc(Br)ccc2OCc2ccccc2)C1 2299503224 DCKWUNQKBMQICI-JXFKEZNVSA-N 452.230 7.290 50 10 JKGE Brc1cc(OCc2ccccc2)ccc1[C@@H](Br)C1CC2(CCC2)C1 2299505486 XGSVKLKBPYOBRR-FQEVSTJZSA-N 450.214 7.044 50 10 JKGE COCC1(C[C@@H](Br)c2cc(Br)ccc2OCc2ccccc2)CC1 2299527980 NSWPQHIXYPOFQJ-GOSISDBHSA-N 454.202 6.281 50 10 JKGE Fc1c(Br)cc(Cl)c([C@H](Br)C2CC(F)C2)c1Br 2300180389 DYUKVTKOHKGZHP-PACJAATDSA-N 453.346 6.188 50 10 JKGE COc1cc(C=C(C#N)C(=O)Nc2cc(C)ccc2C)ccc1OCc1ccc(Cl)c(Cl)c1 2313510881 BBBTXXFKMCACMG-UHFFFAOYSA-N 481.379 6.744 50 10 JKGE COc1cc(C=C(C#N)C(=O)Nc2cc(Cl)ccc2C)ccc1OCc1cccc(C(=O)O)c1 2313565112 SAMFVWANKJJLFE-UHFFFAOYSA-N 476.916 5.480 50 10 JKGE Clc1cccc(Cl)c1[C@H](Cl)c1ccc(OCc2ccccc2)cc1Br 2314453409 WJDKFRKXZDHSQW-HXUWFJFHSA-N 456.594 7.663 50 10 JKGE COc1ccc([C@@H](Br)c2cc(Br)ccc2OCc2ccccc2)cc1 2314490208 MTBBFCDFHCFRJF-OAQYLSRUSA-N 462.181 6.521 50 10 JKGE Cc1ccc(-c2ccc(C=C(C#N)C(=O)Nc3cc(C(F)(F)F)cc(C(F)(F)F)c3)o2)cc1 2314571515 GKVBOCUECMFQQW-UHFFFAOYSA-N 464.365 6.838 50 10 JKGE COc1ccc(N2C(=O)[C@@H](Cc3ccc(C)cc3)SC2=C(C#N)C(=O)Nc2ccccc2OC)cc1 2314592642 ZITVCUYUANEFCQ-RUZDIDTESA-N 499.592 5.077 50 10 JKGE CC(C)(C)c1ccc(C=CC(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@H]3c2cccc([N+](=O)[O-])c2)cc1 2314634056 HHTNYFSIBKRUDA-MHZLTWQESA-N 495.535 5.729 50 10 JKGE Cc1ccoc1[C@@H](Br)c1c(Cl)cc(Br)c(F)c1Br 2315449675 SFDMCDBKGBZAPB-JTQLQIEISA-N 461.350 6.390 50 10 JKGE COc1ccc(C)c([C@@H](Br)c2sc(Cl)cc2I)c1 2316777557 OGEIKLATHWPWBE-GFCCVEGCSA-N 457.558 5.807 50 10 JKGE COc1cc(C=C(C#N)c2ccccc2OC)ccc1OC(=O)C=Cc1ccc(C(C)C)cc1 2320506480 KMWHVNDMCRKJLN-UHFFFAOYSA-N 453.538 6.510 50 10 JKGE COc1ccc(-c2csc(C(C#N)=C(O)c3cc([N+](=O)[O-])cc([N+](=O)[O-])c3C)n2)cc1F 2331337698 SKJJSZNACWKCAS-UHFFFAOYSA-N 456.411 5.033 50 10 JKGE CC(C)(C)N1C[C@H](C(O)=C(C#N)c2nc(-c3ccc(Oc4ccccc4)cc3)cs2)CC1=O 2331358688 CPCIKGGSESBGNG-GOSISDBHSA-N 459.571 6.042 50 10 JKGE COc1cc(OC)c(-c2csc(C(C#N)=C(O)Cc3ccccc3[N+](=O)[O-])n2)cc1Cl 2331377652 XXFLWFAQHDIHBM-UHFFFAOYSA-N 457.895 5.424 50 10 JKGE COc1ccc(C=CC(O)=C(C#N)c2nc(-c3cc(Cl)cc(C)c3OC)cs2)cc1OC 2331391797 GJHREHORPNSRSE-UHFFFAOYSA-N 468.962 6.304 50 10 JKGE N#CC(=Cc1ccccc1OCc1ccccc1Cl)c1nc(-c2ccc3c(c2)CCCC3)cs1 2331416675 LJODBFFUNFFWSD-UHFFFAOYSA-N 483.036 7.985 50 10 JKGE CCCOc1ccc(-c2csc(C(C#N)=Cc3cc(OC)c(OC)cc3OC)n2)cc1OCCC 2331438047 UXFFIDWPAWBPKN-UHFFFAOYSA-N 494.613 6.478 50 10 JKGE CCOc1ccc(-c2csc(C(C#N)=Cc3ccc(OCC)c(OCC)c3)n2)c(OCC)c1 2331473603 MQAXSPDKQCEFQP-UHFFFAOYSA-N 464.587 6.469 50 10 JKGE COc1cc(C=C(C#N)c2nc(-c3cc(Cl)c(OC)c(Cl)c3)cs2)cc(Cl)c1O 2331480381 MKBNABYKZVVYJZ-UHFFFAOYSA-N 467.761 6.557 50 10 JKGE CCOc1ccc(C=C(C#N)c2nc(-c3ccc(OC)c(OC)c3OC)cs2)cc1OCC 2331491495 KXWWOUUMNGBBHL-UHFFFAOYSA-N 466.559 5.697 50 10 JKGE Brc1cc(OCc2ccccc2)ccc1[C@@H](Br)c1ccc2c(c1)CCO2 2336084349 SMTGFOGNOADROV-QFIPXVFZSA-N 474.192 6.447 50 10 JKGE Cn1cnc2sc([C@H](Br)c3cc(Br)ccc3OCc3ccccc3)cc21 2336087099 ULCBRJWMFIYPLU-LJQANCHMSA-N 492.236 6.461 50 10 JKGE COc1c(Br)cc(C)c([C@H](Br)[C@H]2CCC[C@H]2C)c1Br 2339650095 BOOIOTDZGACBFI-DFAYQTQMSA-N 455.028 6.401 50 10 JKGE Cc1cc(Br)c(F)c(Br)c1[C@@H](Br)C1(C(C)C)CCC1 2339686036 WLZXOLBSUWJEGS-CQSZACIVSA-N 457.019 6.921 50 10 JKGE C[C@@H](c1ccncc1F)[C@H](Br)c1cccc(Br)c1Br 2344699909 WVVSESDRIBEVBY-SDBXPKJASA-N 451.959 5.985 50 10 JKGE Cc1cc(CBr)cnc1OCc1cc(I)ccc1Cl 2352252039 OVABFEPDDYXILM-UHFFFAOYSA-N 452.517 5.122 50 10 JKGE Clc1cc(Br)c([C@@H](Br)[C@@H]2C[C@@H]3O[C@H]2[C@H]2C[C@@H]32)c(Cl)c1Cl 2358398704 HVARZALNBJSGPB-INUHIWTGSA-N 461.408 6.269 50 10 JKGE Cc1cccc(C)c1[C@H](Br)c1c(Cl)cc(Br)c(F)c1Br 2362259090 WWQRKBWYSDKGPM-ZDUSSCGKSA-N 485.416 7.105 50 10 JKGE CN(Cc1c(Br)cccc1Br)c1ccc(F)cc1CBr 2366160846 LNDXSOQVXLHLPY-UHFFFAOYSA-N 465.986 5.882 50 10 JKGE FC1(F)[C@@H]2CC(CO[C@@H](CI)c3ccccc3Br)C[C@H]21 2369978536 UBYBOCWUUTYEKW-BZPMIXESSA-N 457.096 5.233 50 10 JKGE CC(C)(C)OC(=O)N[C@H](C[S@](C)(=O)=NC[C@@](C)(CBr)C(C)(C)C)C(C)(C)C 2380204029 WOIYWCTYJTZVHI-FNRXQFBKSA-N 469.530 5.471 50 10 JKGE COc1ccc(C[C@@H]2S/C(=C(\C#N)C(=O)Nc3ccccc3C)N(c3ccccc3C)C2=O)cc1 2234110 YFHHZPACHGNSFO-RMNOPMHCSA-N 483.593 5.377 50 10 JKGE CCCOc1ccccc1C(=O)NNC(=O)c1ccc(NC(=O)c2ccc(C(C)(C)C)cc2)cc1 14036656 YZQYRFOTFXAJPD-UHFFFAOYSA-N 473.573 5.100 50 10 JKGE CC[C@H](C)c1ccccc1OCC(=O)NNC(=O)c1cc(Br)ccc1OCCC(C)C 14650652 YTBYMKQFWSBCII-KRWDZBQOSA-N 491.426 5.228 50 10 JKGE Cc1ccc([C@H]2c3ccsc3CCN2C(=O)CN(CC(C)C)C(=O)C(C)(C)CCl)cc1 16499704 KECBTNSWPXKZLM-QHCPKHFHSA-N 461.071 5.280 50 10 JKGE Cc1ccc(N/C(SCc2ccc(F)cc2)=C(/C#N)S(=O)(=O)c2ccccc2)cc1Cl 20325265 XGAYEEKIGSNISK-GHVJWSGMSA-N 472.994 6.299 50 10 JKGE CCOc1cc(CBr)cc(Br)c1OCc1ccccc1Br 36825239 ZSCFKQXIUKQVAK-UHFFFAOYSA-N 479.006 6.084 50 10 JKGE CCCOc1ccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4cccc(OCCC)c4)ccc32)cc1 38650700 WEMFJSBJNUSTDX-MHZLTWQESA-N 484.552 5.702 50 10 JKGE CCCCOc1ccc(C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@H]3c2ccc(Cl)cc2)cc1 38651360 SWWRFYAXBJCKKC-VWLOTQADSA-N 474.944 5.956 50 10 JKGE N#CC1=C(N)Oc2cc(OC(=O)c3ccccc3Cl)ccc2[C@@H]1c1c(Cl)cccc1Cl 38679517 KMLMJHDRRRJSIV-FQEVSTJZSA-N 471.727 6.084 50 10 JKGE C=CCOc1ccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4ccccc4C)ccc32)cc1OC 38680796 HYLIPCLSPLAHOW-AREMUKBSSA-N 468.509 5.006 50 10 JKGE Cc1ccc(COc2ccc([C@H]3C(C#N)=C(N)Oc4cc(OC(=O)c5cccs5)ccc43)cc2)cc1 38686290 UKWTWWPOSLTDGB-HHHXNRCGSA-N 494.572 6.073 50 10 JKGE N#CC1=C(N)Oc2cc(OC(=O)c3ccco3)ccc2[C@H]1c1ccc(OCc2ccccc2Cl)cc1 38686332 OAUDSPNKLLEODR-AREMUKBSSA-N 498.922 5.949 50 10 JKGE CCCOc1ccccc1/C=C(\C#N)C(=O)Oc1ccc(-c2ccccc2)cc1Br 40949040 YFMNMUKBQAVOTO-RCCKNPSSSA-N 462.343 6.417 50 10 JKGE CCOc1ccc(CCC(=O)Oc2ccc(/C=C(\C#N)c3ccc(Cl)cc3)cc2OC)cc1 41008773 IGJAVEPLNOGPIE-CJLVFECKSA-N 461.945 6.350 50 10 JKGE CCCCCCOc1ccc(/C=C(\C#N)C(=O)Nc2nc(-c3ccccc3OC)cs2)cc1OC 41013051 VCIBQJLIYOBEBK-HMMYKYKNSA-N 491.613 6.332 50 10 JKGE CCCOc1ccc(Br)cc1/C=N/NC(=O)COc1cccc(Cl)c1Cl 48572843 DMCIPBCKWACOFP-LSHDLFTRSA-N 460.155 5.074 50 10 JKGE CCOc1ccc([C@H](O)CCC(=O)N/N=C\c2cc(C)n(-c3ccc4ccccc4c3)c2C)cc1 58893414 VKPIUZXNDRURQQ-FLFHKRBWSA-N 469.585 5.610 50 10 JKGE COc1c(C(=O)N/N=C2/C(=O)N(Cc3ccccc3Cl)c3ccccc32)ccc2ccccc12 59151356 ZGWATVVYHRROMD-RMLRFSFXSA-N 469.928 5.183 50 10 JKGE Cc1nn(Cc2ccccc2Cl)c(C)c1/C=N/NC(=O)[C@@H](C)c1ccc(CC(C)C)cc1 59152894 YXYNTVAHVIQLFE-UEYIPHHSSA-N 451.014 5.654 50 10 JKGE CCOC(=O)c1ccc(-c2ccc(/C=C(/C#N)C(=O)Nc3sccc3C(=O)OC(C)C)o2)cc1 96438741 MPLNXTPNJFUOJH-AQTBWJFISA-N 478.526 5.296 50 10 JKGE CC1CCC(NC(=O)[C@H](c2ccc(F)cc2)N(CCc2ccccc2Cl)C(=O)CCl)CC1 97914700 QJDKWQOGOBOWIN-PZYUZEHPSA-N 479.423 5.525 50 10 JKGE CCOc1ccc(N2C(=O)[C@H](Cc3ccccc3)S/C2=C(/C#N)C(=O)Nc2cccc(C)c2)cc1 101245669 UGMAAXXOUPGDDH-UZEPBSNMSA-N 483.593 5.459 50 10 JKGE CC1=C(C#N)C(=O)N(C(C)C)C(=O)/C1=C/c1cn(-c2ccccc2)nc1-c1cc2ccccc2o1 101333863 GIUPTOYJRZYKIV-LPYMAVHISA-N 462.509 5.286 50 10 JKGE N#C/C(=C/Nc1ccccc1OC(F)(F)[C@H](F)Cl)c1nc(-c2ccc(Cl)cc2)cs1 102421798 VUKLCTDMLNYOAW-XGCMIMOYSA-N 470.303 6.946 50 10 JKGE CCCOc1ccc(-c2nn(-c3ccccc3)cc2/C=C(/C#N)C(=O)Nc2ccc(C)cc2)cc1 102858385 YLHRRDSWKWDHBE-NKFKGCMQSA-N 462.553 6.182 50 10 JKGE O=C(CC12C[C@H]3C[C@@H](CC(Br)(C3)C1)C2)NNc1ccc(C(F)(F)F)cc1[N+](=O)[O-] 104743177 UCPGBUFJQIILSG-SKLAPFLYSA-N 476.293 5.181 50 10 JKGE Brc1cc2c(cc1[C@H](Br)c1sccc1Br)OCCCO2 111536483 CMZGGQOPLPULOM-ZDUSSCGKSA-N 483.019 5.919 50 10 JKGE COc1c(C)cc(Br)c(C)c1[C@@H](Br)c1ccc(Br)c(F)c1 125706109 IJJPNTISKVCSQL-HNNXBMFYSA-N 480.997 6.460 50 10 JKGE COc1cc(Cl)ccc1[C@@H](Br)c1cc(Br)c(Br)s1 128205226 NPVMFJIVUPTMBU-LLVKDONJSA-N 475.427 6.419 50 10 JKGE COc1ccc(Cl)cc1[C@H](Br)c1cc(Br)c(C)cc1Br 128751516 NGJUSACWLWOMAV-OAHLLOKOSA-N 483.425 6.666 50 10 JKGE Cc1cc(Br)c([C@H](Br)c2c(C)oc(C)c2C)cc1Br 128755402 DYECBCUMMBSKEP-HNNXBMFYSA-N 450.996 6.523 50 10 JKGE COc1ccc(C)cc1[C@@H](Br)c1cc(Br)c(C)cc1Br 128829536 KLXZFIKZVQPYAA-INIZCTEOSA-N 463.007 6.321 50 10 JKGE Fc1cccc(C(CBr)(CBr)Cc2cccc(F)c2Br)c1 157924994 NWBYKYXZGNULDI-UHFFFAOYSA-N 482.988 5.998 50 10 JKGE CCOc1cc(Cl)c([C@@H](Cl)c2cc(Br)ccc2Br)cc1Cl 161120395 ZRFGAQBKDKIWRV-HNNXBMFYSA-N 473.419 7.245 50 10 JKGE Clc1ccccc1CO[C@H](CI)c1ccccc1Br 162014458 LGMGEFQCYFTQME-OAHLLOKOSA-N 451.529 5.795 50 10 JKGE CC(C)[Si](OC[C@@H]1OC=C[C@@H](O[Si](C(C)C)(C(C)C)C(C)C)[C@H]1O)(C(C)C)C(C)C 195785956 YDOYFAHLHUEGEN-TZRRMPRUSA-N 458.832 7.013 50 10 JKGE Fc1cccc([C@@H](Br)c2cc(Br)cc3c2OCC3)c1Br 228443852 KNMLOEYFYJEOEA-CYBMUJFWSA-N 464.954 5.770 50 10 JKGE CCCOc1ccc([C@H](Br)c2ccc(F)cc2Br)cc1Br 229007237 SQTYNDCVVVNLDI-INIZCTEOSA-N 480.997 6.624 50 10 JKGE Brc1cc(Br)cc([C@H](Br)c2csc3ccccc23)c1 232481885 BMBUDCXUFLXLLM-HNNXBMFYSA-N 461.016 6.911 50 10 JKGE CCOc1ccc(C)cc1[C@H](Br)c1cc(Cl)ccc1I 233781889 LEYOFCIDDVUVCT-MRXNPFEDSA-N 465.556 6.136 50 10 JKGE CC[C@@H](C)c1ccc([C@H](Br)c2cc(Br)cc(Br)c2)cc1 233868102 OEUXTHKXVMTQKM-DIFFPNOSSA-N 461.035 7.209 50 10 JKGE CCCCCCC(=NNC(=O)CNc1ccc(Cl)cc1Br)c1ccccc1 252620904 MOSRBQWVPYZURP-UHFFFAOYSA-N 450.808 6.005 50 10 JKGE CCN(CC)c1ccc(C=NNC(=O)c2cc(-c3ccc(C)cc3)nc3ccccc23)c(O)c1 252628362 SOKSYHHKBMAGFX-UHFFFAOYSA-N 452.558 5.526 50 10 JKGE CC(=NNC(=O)CSc1nnc(-c2ccc(C)cc2)n1C1CCCCC1)c1ccc(O)cc1 254762283 CSPHKZLILHTNKF-UHFFFAOYSA-N 463.607 5.097 50 10 JKGE Brc1cc2c(c([C@H](Br)c3ccccc3OCc3ccccc3)c1)OCC2 311917716 DIKMEDOTGWTPDA-OAQYLSRUSA-N 474.192 6.447 50 10 JKGE Fc1cc(F)c(F)c([C@@H](Br)c2cc(Br)cc(Br)c2)c1F 396091856 OWDGLLKVWJUNEE-NSHDSACASA-N 476.887 6.252 50 10 JKGE Cc1oc(Br)cc1[C@H](Br)c1cc2c(cc1Br)OCCO2 396585791 JVSOMWQODDSTRA-AWEZNQCLSA-N 466.951 5.369 50 10 JKGE C[C@H]1CN(Cc2ccccc2)CC[C@H]1n1c(CCl)nc2cc(Br)c(F)cc21 397948461 JUDKAZRYIREIJY-IFXJQAMLSA-N 450.783 5.760 50 10 JKGE CC(C)(C)OC(=O)NCCN1CCc2ccccc2[C@@H]1c1ccccc1CO[Si](C)(C)C(C)(C)C 616693298 VYQLBRFPEKTELR-AREMUKBSSA-N 496.768 6.681 50 10 JKGE CCCOc1ccc([C@H](Br)c2nn(C)cc2Br)cc1Br 693044859 UAJULQJGCLGZGP-ZDUSSCGKSA-N 466.999 5.218 50 10 JKGE C[C@H]1Cc2cc(Br)cc([C@@H](Br)c3cc(Cl)sc3Cl)c2O1 720049702 GMKHDJYPYZUBSW-PWCHPLFNSA-N 457.014 6.625 50 10 JKGE O=C(CCCNc1ccccc1)NN=Cc1ccccc1OCc1cccc(Br)c1 1084068952 XKKLACDHVQFYPI-UHFFFAOYSA-N 466.379 5.371 50 10 JKGE Cc1cc(/C=C(/C#N)C(=O)Nc2cccc(Cl)c2Cl)c(C)n1-c1ccc(Br)cc1 1084556653 PHJOUQCCTXXKBI-WJDWOHSUSA-N 489.200 6.709 50 10 JKGE CCOc1ccc([C@@H](O)CCC(=O)NN=Cc2ccc(OCc3ccccc3)c(OCC)c2)cc1 1084642662 YJXXBPOMBLIOHA-VWLOTQADSA-N 476.573 5.027 50 10 JKGE N#CC1=C(N)Oc2c(c(-c3ccccc3)nn2-c2ccc(Cl)c(Cl)c2)[C@H]1c1ccc(O)cc1O 1865681530 PWTWDEKZPHFBJY-NRFANRHFSA-N 491.334 5.475 50 10 JKGE COc1ccc(-c2nn(-c3ccc(Cl)cc3)c3c2[C@H](c2ccc(C)cc2)C(C#N)=C(N)O3)cc1 1865685122 DHNMQBWSEBNFML-HSZRJFAPSA-N 468.944 5.728 50 10 JKGE N#CC1=C(N)Oc2c(c(C(F)(F)F)nn2Cc2ccc(F)cc2)[C@H]1c1c(F)cccc1Cl 1865685734 MEKSCRORMONAJE-OAHLLOKOSA-N 466.797 5.100 50 10 JKGE COc1ccc(-c2nn(-c3ccccc3)c3c2[C@H](c2cc(Cl)ccc2O)C(C#N)=C(N)O3)cc1 1865689588 TXSORHCOBUMQBV-JOCHJYFZSA-N 470.916 5.125 50 10 JKGE CCOc1cccc([C@@H]2C(C#N)=C(N)Oc3c2c(-c2ccccc2)nn3Cc2cc(C)ccc2C)c1 1865690092 IPCXELDTHVVTLL-AREMUKBSSA-N 476.580 5.832 50 10 JKGE CCCOc1ccc([C@H]2C(C#N)=C(N)Oc3c2c(CCC)nn3Cc2ccccc2Cl)cc1 1865692887 GNCNGQOEQJCBJL-QHCPKHFHSA-N 462.981 5.544 50 10 JKGE CCCOc1ccc([C@@H]2C(C#N)=C(N)Oc3c2c(-c2ccccc2)nn3Cc2ccccc2)cc1 1865694355 UGJPMZNNPMKMCU-RUZDIDTESA-N 462.553 5.605 50 10 JKGE CCCCCCOc1ccc([C@@H]2C(C#N)=C(N)Oc3c2c(C)nn3-c2ccc(C)cc2)cc1OC 1865695513 DLSDTSNHTHEHFP-AREMUKBSSA-N 472.589 5.675 50 10 JKGE CCCc1nn(Cc2ccccc2Cl)c2c1[C@@H](c1cn(C)c3ccccc13)C(C#N)=C(N)O2 1865698780 CLIIIRBARAGMIC-HSZRJFAPSA-N 457.965 5.247 50 10 JKGE Cc1ccccc1-c1nc(Nc2ccc(SC#N)cc2)cc(N2CCc3nc[nH]c3[C@@H]2C)n1 1868301120 LBTDPIVXZIRZJC-KRWDZBQOSA-N 453.575 5.616 50 10 JKGE N#CSc1ccc(Nc2cc(N3CCC[C@H]3c3nc4c([nH]3)CCCC4)nc(-c3ccccc3)n2)cc1 1868364943 ISEFDXNNIDLKHP-DEOSSOPVSA-N 493.640 6.404 50 10 JKGE COc1cc(/C=C(\C#N)c2cc3c(cc2[N+](=O)[O-])OCCO3)ccc1OCc1cccc(Cl)c1 1872728504 GGXMSDQCMWGWSP-GIJQJNRQSA-N 478.888 5.671 50 10 JKGE CCCCc1ccc(-c2csc(/C(C#N)=C(\O)CN3C(=O)c4cccc([N+](=O)[O-])c4C3=O)n2)cc1 1872744895 NLSOGNZQXNYCQT-UZYVYHOESA-N 488.525 5.150 50 10 JKGE CCc1cccc(CC)c1N1C[C@@H](/C(O)=C(\C#N)c2nc(-c3ccc(C(C)(C)C)cc3)cs2)CC1=O 1872750757 KSNKSLVIFRGYKY-FTRAKHFHSA-N 499.680 7.078 50 10 JKGE COC(=O)c1c(NC(=O)/C(=C\c2ccc(OC)cc2)c2ccccc2)sc(/C(C)=C/C#N)c1C 1873427274 KBJUAOQRVWUZTQ-IISRKBBJSA-N 472.566 5.958 50 10 JKGE CC(C)[C@H](NC(=O)OC(C)(C)C)C(=O)N/N=C/c1cccc(OCc2c(Cl)cccc2Cl)c1 1873795710 YLQZZVKDSVBBKU-HFLRGAGPSA-N 494.419 5.572 50 10 JKGE CC(C)C[C@@H]1CN(C(=O)OC(C)(C)C)CC[C@@H]1[C@@H](CBr)NC(=O)OC(C)(C)C 1885096864 MDWKNTWUZMDEKO-IXDOHACOSA-N 463.457 5.194 50 10 JKGE Clc1ccc([C@H](Br)c2cc(Br)ccc2OCc2ccccc2)o1 1899856378 HQAPQMOZYBOKLQ-GOSISDBHSA-N 456.561 6.759 50 10 JKGE FC(F)(F)C(F)(F)[C@H](Br)c1sc(Cl)cc1I 1901024289 UTIQGDGSRALNDJ-RXMQYKEDSA-N 455.411 5.640 50 10 JKGE CN(CCN(Cc1ccccc1)c1c(CBr)c(C(F)F)nn1C)Cc1ccccc1 1901366452 QFGXBFHOOFCAMS-UHFFFAOYSA-N 477.397 5.391 50 10 JKGE Cc1c(Br)sc([C@H](Br)[C@H]2C[C@@H]2c2ccccc2)c1Br 1922889978 ZUPOLNJRCFLFTF-NTZNESFSSA-N 465.048 6.821 50 10 JKGE Cl[C@@H](c1nscc1Br)c1sc(Br)cc1Br 1922892336 RJVXOYQCLJZRBB-LURJTMIESA-N 452.418 5.820 50 10 JKGE C[C@H]([C@@H](Br)c1c(Br)sc(Br)c1Cl)C(C)(F)F 1923068721 VQGZERXFNQBLKA-NQXXGFSBSA-N 461.391 6.654 50 10 JKGE C[C@@H]1CCC[C@@H]1[C@@H](Cl)c1c(Br)sc(Br)c1Br 1924580431 RRILCKADWPXMJR-QIOHGKGESA-N 451.449 6.752 50 10 JKGE CC(C)(C)OC(=O)NC[C@@H]1CCCC2(CCC2)[C@@]12CCC[C@H](CI)O2 1924802260 YOMNCMBYGBWTPR-RZQQEMMASA-N 463.400 5.224 50 10 JKGE N#CC(=Cc1ccc(OCc2ccccc2)c(OCc2ccccc2)c1)c1nc2ccccc2s1 2042446064 PZYAISJUGNSUQF-UHFFFAOYSA-N 474.585 7.518 50 10 JKGE N#CC(=Cc1ccccc1)C(=O)OCC(=O)Nc1nc(-c2ccc(-c3ccccc3)cc2)cs1 2053624812 UEYOJVWTVNZMNA-UHFFFAOYSA-N 465.534 5.566 50 10 JKGE COCc1csc([C@H](Br)c2ccc(Br)cc2Br)c1 2083311981 OBANAXOAUULCRD-CYBMUJFWSA-N 455.009 5.904 50 10 JKGE Cc1cc([C@@H](Br)c2ccc(F)c(Br)c2)ccc1I 2086038845 DNFONZPIIJFRNV-CQSZACIVSA-N 483.944 5.986 50 10 JKGE C[C@@H]1Cc2cc([C@@H](Cl)c3csc(I)c3)cc(Br)c2O1 2090470205 LROWCNPEWDIAQH-FUXBKTLASA-N 469.569 5.767 50 10 JKGE COCc1cc(Br)c([C@@H](Br)c2c(Cl)cccc2Br)s1 2113162808 NCCWMHNIGIMNMC-LBPRGKRZSA-N 489.454 6.557 50 10 JKGE CCCc1nc(C[C@@H](Br)c2ccc(Br)cc2)c(Br)[nH]1 2113489273 NDQCZLKPTPPUTG-LLVKDONJSA-N 451.000 5.566 50 10 JKGE CC(C)c1nc(Br)c(Br)n1Cc1ccc(CBr)cc1 2126472413 UORBONMXJRRFHO-UHFFFAOYSA-N 451.000 5.475 50 10 JKGE Fc1ccc(F)c([C@H](Br)c2ccc(Br)cc2Br)c1F 2138850109 LKGODEUGJRPFPZ-GFCCVEGCSA-N 458.897 6.113 50 10 JKGE FC(F)(F)c1ccc([C@H](Br)c2cc(Br)c(Cl)s2)c(Cl)c1 2179251251 CAQUSEPRFWMZAB-JTQLQIEISA-N 468.947 7.321 50 10 JKGE O=S(=O)(c1cc(Cl)cc(CBr)c1Cl)N1CCC(OCc2ccccc2)CC1 2179861377 GKLBRAFJVSTQGL-UHFFFAOYSA-N 493.250 5.258 50 10 JKGE Cc1c(F)cc(CBr)cc1S(=O)(=O)N(Cc1ccccc1)[C@H](C)C(C)(C)C 2179862998 FZJFXVMQWICHIJ-MRXNPFEDSA-N 456.421 5.655 50 10 JKGE CC(C)(C)[C@H]1[C@H](Br)CCN1C(=O)c1cc(Br)cc(Br)c1 2185100089 MXLXYEWSMUYEHW-CHWSQXEVSA-N 468.027 5.236 50 10 JKGE Brc1ccc([C@H](Br)C2C3CC4CC(C3)CC2C4)c(Br)c1 2203687565 QMHNVPNKQJQFLX-XPGOTKNASA-N 463.051 6.720 50 10 JKGE Brc1sc([C@H]2CCCC[C@H](Br)C2)c(Br)c1Br 2212189338 KBNXDQMRSNZRIA-BQBZGAKWSA-N 495.900 6.847 50 10 JKGE Clc1cc(Br)c([C@H](Cl)c2occc2Br)c(Cl)c1Cl 2217609689 BEZBEUJHDAZFJR-JTQLQIEISA-N 453.772 7.093 50 10 JKGE CCc1ccsc1[C@@H](Br)c1c(Br)cc(Cl)c(Cl)c1Cl 2224303112 SBJYSDCTWRHKIU-JTQLQIEISA-N 463.449 7.518 50 10 JKGE CC(C)([C@@H](Br)c1c(Br)cc(Cl)c(Cl)c1Cl)S(C)(=O)=O 2224303476 XLVMJRXBXYPIPQ-JTQLQIEISA-N 473.441 5.669 50 10 JKGE FC(F)(F)[C@H]1CC[C@@H]1COc1c(Br)cc(Br)cc1CBr 2232683553 FVFBIFWPKGFBGW-XCBNKYQSSA-N 480.944 6.074 50 10 JKGE C[C@]1(CI)CC[C@](C)(c2cc(Br)c(Br)s2)O1 2243273371 CMQHODWYKSVXDE-GHMZBOCLSA-N 480.003 5.492 50 10 JKGE CC(C)CCCCCOC1(CI)CCN(C(=O)OC(C)(C)C)CC1 2248823955 SGEGIGVEVOPTMS-UHFFFAOYSA-N 453.405 5.424 50 10 JKGE Cc1cc(Br)c([C@@H](Br)c2ccc(Br)s2)c(C)c1F 2253513395 QVEGJEDFBNPPHK-LBPRGKRZSA-N 457.000 6.513 50 10 JKGE CCc1cc([C@H](Br)c2c(C)nn(C)c2Br)sc1Br 2255974283 NOGZAXFAYFKOQQ-JTQLQIEISA-N 457.029 5.362 50 10 JKGE CCCCc1ccc([C@H](Br)c2ccc(F)cc2I)s1 2264364959 OHICDAMSEZBQEG-OAHLLOKOSA-N 453.158 6.319 50 10 JKGE CN(Cc1ccccc1I)c1cccc(Br)c1CCl 2265542298 BNNIFQUHSHBUAC-UHFFFAOYSA-N 450.545 5.429 50 10 JKGE Cc1cc(Cl)c(Cl)cc1[C@@H](Cl)c1sc(Br)c(C)c1Br 2270986167 CIUVMYBMBGZNMI-LLVKDONJSA-N 463.449 7.525 50 10 JKGE FC1CC2(C1)CC(CBr)(Cc1cc(Br)ccc1Br)C2 2272095336 DGHXRDIQYAWYPP-UHFFFAOYSA-N 455.003 6.048 50 10 JKGE Brc1cc(Br)cc(C[C@@H](Br)[C@@H]2CCCC3(CC3)C2)c1 2277958896 MEOUOIJZVZWSNQ-IUODEOHRSA-N 451.040 6.488 50 10 JKGE Cc1ccc(Cl)c([C@@H](Br)c2c(F)cc(Br)c(F)c2Br)c1 2288348649 HMOKPQUOGSOLQL-GFCCVEGCSA-N 489.379 6.936 50 10 JKGE Fc1cc(Br)c(F)c(Br)c1[C@@H](Br)C1CC(C(F)(F)F)C1 2288481357 UNWNUIPXTHZHAD-UDSLYJHRSA-N 486.898 6.514 50 10 JKGE Cc1cccc([C@H](Cl)c2c(F)cc(Br)c(F)c2Br)c1Br 2288496558 INPDLNFOOLQAED-ZDUSSCGKSA-N 489.379 6.889 50 10 JKGE Fc1cc(Br)c(Br)cc1[C@H](Cl)c1ccc(C(F)(F)F)s1 2295054076 IGXBALNQYFKPTK-NSHDSACASA-N 452.492 6.759 50 10 JKGE Fc1cc(F)c([C@H](Br)Cc2cc(Br)cc(Br)c2)c(F)c1 2295264096 AREAGHLTZQEWAN-LLVKDONJSA-N 472.924 6.308 50 10 JKGE Clc1cc(Br)ccc1C[C@@H](Cl)c1cc2sc(Br)cc2s1 2295491838 CHTYDVHAAWXXEK-SNVBAGLBSA-N 471.066 7.664 50 10 JKGE Cc1ccc(NC(=O)C(C#N)=C2S[C@H](Cc3ccccc3)C(=O)N2c2ccccc2)c(C)c1 2296506832 HBQIUDGNONIJFV-XMMPIXPASA-N 453.567 5.368 50 10 JKGE N#CC(=CNc1ccc(Br)cc1F)c1nc(-c2ccc(-c3ccccc3)cc2)cs1 2296800510 BSCILIOZGFPKOK-UHFFFAOYSA-N 476.374 7.355 50 10 JKGE N#CC(=Cc1ccc(-c2ccc(Cl)cc2[N+](=O)[O-])o1)C(=O)Nc1ccc(Cl)cc1[N+](=O)[O-] 2297123841 WHXOQSPGWNJGFT-UHFFFAOYSA-N 473.228 5.615 50 10 JKGE Cl[C@H](c1cccc(OCc2ccccc2)c1)c1ccc(OCc2ccccc2)cc1Br 2299503886 JFZMGNAOJVPFGT-HHHXNRCGSA-N 493.828 7.935 50 10 JKGE CC[C@@]1([C@@H](Br)c2ccc(OCc3ccccc3)cc2Br)CC1(F)F 2299525506 OLQOTLKNKHSXRY-ROUUACIJSA-N 460.156 6.900 50 10 JKGE Fc1cc(Br)c(F)c(Br)c1[C@@H](Br)[C@H]1C[C@H]1C(F)F 2313272022 HIRSTVNMQSVQCP-FXLGRURVSA-N 454.881 5.827 50 10 JKGE CCCCCOc1ccccc1C(=O)NN=C1C(=O)N(CC=Cc2ccccc2)c2ccccc21 2313646611 AYSABEBNVNKYBX-UHFFFAOYSA-N 467.569 5.450 50 10 JKGE COc1cc(C=C(C#N)C(=O)N[C@H](C)c2ccccc2)ccc1OCc1ccc(Cl)cc1Cl 2313724567 JHDXIGUZXWCVLQ-QGZVFWFLSA-N 481.379 6.365 50 10 JKGE FC(F)[C@@H]1CCC[C@H]1[C@@H](Br)c1cc(Br)ccc1OCc1ccccc1 2314441913 CYDGTLMPEAFXCP-GPMSIDNRSA-N 474.183 7.146 50 10 JKGE Brc1cc(OCc2ccccc2)ccc1[C@@H](Br)C1CCCCCCC1 2314449643 RLJHLJFPMOJGGT-QFIPXVFZSA-N 466.257 7.825 50 10 JKGE FC1(F)[C@@H]2COC[C@]21[C@@H](Br)c1ccc(OCc2ccccc2)cc1Br 2314497339 JNHFIKPLDMMNLA-FGTMMUONSA-N 474.139 5.746 50 10 JKGE Brc1cc(OCc2ccccc2)ccc1[C@@H](Br)[C@H]1Cc2ccccc21 2314501061 TYPBIBKZAOSAFF-RBBKRZOGSA-N 458.193 6.804 50 10 JKGE Cc1cc(C)cc(Oc2nc3ccccn3c(=O)c2C=C(C#N)C(=O)Nc2ccccc2Cl)c1 2314532197 HCMPQOSSYDZTCS-UHFFFAOYSA-N 470.916 5.303 50 10 JKGE CC1=C(C#N)C(=O)N(CCc2ccccc2)C(=O)C1=Cc1ccc(-c2cccc(Cl)c2Cl)o1 2314617189 SIGIHDFSZKZYPY-UHFFFAOYSA-N 477.347 6.088 50 10 JKGE CCCCOc1ccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)C=Cc4ccc(OC)cc4)ccc32)cc1 2314634035 FCXPMQNSOZFGLN-GDLZYMKVSA-N 496.563 5.711 50 10 JKGE CCOC(=O)c1c(-c2ccc(F)cc2)csc1NC(=O)C(C#N)=Cc1cccc(Cl)c1 2329687326 QVTQVVNOVZADJV-UHFFFAOYSA-N 454.910 5.930 50 10 JKGE CC(C)(C)c1ccc(OCCCC(O)=C(C#N)c2nc(-c3ccc(Cl)cc3)cs2)cc1 2331299322 UOGRNAFDEQRHCR-UHFFFAOYSA-N 453.007 7.413 50 10 JKGE COc1ccc(-c2csc(C(C#N)=C(O)COc3cc(Cl)ccc3Cl)n2)c2ccccc12 2331406379 GWBWWPZXEGXKFG-UHFFFAOYSA-N 483.376 7.150 50 10 JKGE CC[C@H](C)N1C(=O)c2ccc(C(O)=C(C#N)c3nc(-c4cc(Cl)ccc4OC)cs3)cc2C1=O 2331410826 IQUBYVPENNZPMC-ZDUSSCGKSA-N 493.972 5.816 50 10 JKGE COc1c(C)cc(Cl)cc1-c1csc(C(C#N)=Cc2cc(Br)ccc2O)n1 2331474455 IYBJGWMWZPOHAC-UHFFFAOYSA-N 461.768 6.313 50 10 JKGE Cc1c(Br)ccc([C@H](Br)C[C@H]2CCC[C@@H]3C[C@@H]32)c1Br 2333146530 MFUKLLSXEWCDHY-UQFNBPPOSA-N 451.040 6.782 50 10 JKGE Fc1c(Br)cc(Cl)c([C@H](Br)[C@@]23CCOC[C@@H]2C3)c1Br 2337086502 MXVONMUCTLTGEW-SQPCXJJOSA-N 477.393 5.867 50 10 JKGE Cc1ccccc1[C@@H](Br)c1c(Cl)cc(Br)c(F)c1Br 2337112273 CLIIFFCTCDBYRR-GFCCVEGCSA-N 471.389 6.797 50 10 JKGE C[C@H]1CCC[C@](CBr)(Cc2ccc(Cl)c(I)c2)CC1 2337227469 LGXPHLNJGQWBHP-BLLLJJGKSA-N 455.605 6.469 50 10 JKGE Clc1ccc(CN(CCBr)Cc2ccsc2)cc1I 2337229418 HQZHNNCTRLHFEC-UHFFFAOYSA-N 470.601 5.403 50 10 JKGE Brc1cccc(Br)c1CO[C@@H]1CCCCCC[C@H]1Br 2340565234 BBWJLNLVZJTHFU-HUUCEWRRSA-N 455.028 6.215 50 10 JKGE Clc1ccc(CN2CC[C@@H]3CC[C@@H](Br)[C@H]2C3)c(I)c1 2341014629 YZNLFTGVOYKZSH-PSOPSSQASA-N 454.577 5.083 50 10 JKGE COc1ccc([C@H](Br)c2csc(C)c2Br)c(Br)c1Cl 2343541938 RMQHSCJCEWGQOY-NSHDSACASA-N 489.454 6.728 50 10 JKGE Cc1scc([C@H](Br)c2cc(Cl)c(Cl)c(Cl)c2Cl)c1Br 2343562012 MDKIKZCAYZZSFV-SECBINFHSA-N 483.867 7.917 50 10 JKGE Brc1ccc(OCc2ccccc2)c([C@@H](Br)c2ccc3ccccc3c2)c1 2361179211 UKMYDYGOGKUQKO-DEOSSOPVSA-N 482.215 7.666 50 10 JKGE Cc1cc(Br)c(F)c(Br)c1[C@H](Cl)c1ccc(F)cc1Br 2365187842 FCBWKDMQNCGDIC-CYBMUJFWSA-N 489.379 6.889 50 10 JKGE Cc1cc(Br)c(F)c(Br)c1[C@H](Br)[C@H]1CC[C@@H]2[C@H]1C2(F)F 2365224451 YLFMXXHBIXYFGJ-HLQDMEJYSA-N 476.956 6.386 50 10 JKGE CCCC(CBr)(CCC)COCc1cc(I)ccc1Cl 2380374642 QPAQKSVQZZSQFA-UHFFFAOYSA-N 473.620 6.443 50 10 JKGE CCOC(=O)c1ccc(N2CSC3=C(C#N)[C@H](c4ccc(C(C)C)cc4)CC(=O)N3C2)cc1 9693342 UESFBSFGIABFHC-QFIPXVFZSA-N 461.587 5.206 50 10 JKGE COc1ccc(C=NNC(=O)c2ccccc2Cl)cc1CSc1nc2ccccc2s1 15974539 YFDYWUNNRISKGH-UHFFFAOYSA-N 468.003 6.015 50 10 JKGE CCc1cccc(OCC(=O)Oc2ccc(/C=C(/C#N)c3ccc(OC)c(OC)c3)cc2OC)c1 31902084 RNKHBEDDDSIJTM-XKZIYDEJSA-N 473.525 5.323 50 10 JKGE COc1cccc2cc(-c3nn(-c4ccccc4)cc3/C=C(/C#N)C(=O)NCc3ccccc3)oc12 33515849 KJWXJVYGLCCKNE-JCMHNJIXSA-N 474.520 5.517 50 10 JKGE CC(C)c1ccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)[C@@H](C)Oc4ccccc4F)ccc32)cc1 38649528 LECCSBQRPRWUJM-QUGAMOGWSA-N 472.516 5.540 50 10 JKGE CCCCOc1cccc(C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@@H]3c2ccc(C(C)C)cc2)c1 38649607 CSFNXLAHLHVHDY-MUUNZHRXSA-N 482.580 6.426 50 10 JKGE C=CCOc1ccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4cccc(OCCC)c4)ccc32)cc1 38658216 KNTJXRGMCZTIOE-MHZLTWQESA-N 482.536 5.478 50 10 JKGE CCc1ccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)COc4cc(C)c(Cl)c(C)c4)ccc32)cc1 38677376 HQKFZDSJDSYPHB-SANMLTNESA-N 488.971 5.722 50 10 JKGE CCc1ccc(OCC(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@@H]3c2c(F)cccc2Cl)cc1 38680602 LRGRDOIELIFHOB-XMMPIXPASA-N 478.907 5.244 50 10 JKGE COc1c(Cl)cc(C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@@H]3c2cccc(F)c2)cc1Cl 38700490 QHOAQMIDHSVFJJ-OAQYLSRUSA-N 485.298 5.578 50 10 JKGE CCCCCOc1cccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)Cc4ccccc4)ccc32)c1 40530135 PPAXLPURSBAGQE-MUUNZHRXSA-N 468.553 5.622 50 10 JKGE Cc1c(C(=O)Nc2ccc(C(C)C)cc2)oc2c1/C(=N/NC(=O)c1ccc(Cl)cc1Cl)CCC2 40813695 IVKOSTZYJLWPQD-MWAVMZGNSA-N 498.410 6.741 50 10 JKGE CCCCCCOc1ccc(/C=N/NC(=O)COc2ccc(Br)c(C)c2)cc1OC 40911050 GZUZCLXECNMVCE-MFKUBSTISA-N 477.399 5.254 50 10 JKGE Cc1ccc(COc2ccc(/C=N/NC(=O)COc3ccc(C(C)(C)c4ccccc4)cc3)cc2)cc1 40911767 GOVHMIOYEGGELZ-QNKGDIEWSA-N 492.619 6.429 50 10 JKGE COc1cc(/C=N/NC(=O)CSc2ccc(C)cc2)ccc1OCc1ccc(Cl)cc1 40961801 VKXLDDOZOJMVRS-VULFUBBASA-N 454.979 5.478 50 10 JKGE COC(=O)c1ccc(/C=N/NC(=O)c2ccc(OCc3ccc(Cl)cc3Cl)cc2)cc1 48573828 FPAJPVBBHSIHRX-LGJNPRDNSA-N 457.313 5.123 50 10 JKGE COc1cccc(NC(=O)/C(C#N)=C\c2c(OCc3ccccc3C#N)ccc3ccccc23)c1 96236681 JXRKKOREDQQQIG-HAHDFKILSA-N 459.505 5.845 50 10 JKGE CC1CCC(NC(=O)[C@H](c2ccc(Cl)cc2)N(Cc2ccc(F)cc2)C(=O)CCl)CC1 97914762 OOOZPMGIVKFFMZ-WWRGRJRASA-N 465.396 5.483 50 10 JKGE CC1=C(C#N)C(=O)N([C@H](C)c2ccccc2)C(=O)/C1=C/Nc1ccc(/N=N/c2ccccc2)cc1 101233685 WLTUGLLINNVMEC-BUPCGPLPSA-N 461.525 6.368 50 10 JKGE CCSc1ccc(-c2nn(-c3ccccc3)cc2/C=C2/C(=O)N([C@@H](C)CC)C(=O)C(C#N)=C2C)cc1 101334286 KTBUOWDAMZXQMQ-PTFSYIGCSA-N 496.636 6.042 50 10 JKGE CCCCCCCOc1ccc(/C=C2/C(=O)N(CCc3ccccc3)C(=O)C(C#N)=C2C)cc1 101338257 FRKXWXPPBMAARE-LHLOQNFPSA-N 456.586 5.871 50 10 JKGE N#C/C(=C\Nc1ccc(Cl)c(C(F)(F)F)c1)c1nc(-c2cc3ccccc3oc2=O)cs1 102456088 FSVTVQVLOHOTIL-JLHYYAGUSA-N 473.863 6.565 50 10 JKGE COc1cc(C)c(Br)cc1[C@H](Br)c1cccc(I)c1 115070065 GOIJDWYQQGKNTE-OAHLLOKOSA-N 495.980 5.855 50 10 JKGE Cc1ccc(CC(CBr)(CBr)c2cccc(Br)c2)cc1C 118878723 QWHNGENQZMSDNE-UHFFFAOYSA-N 475.062 6.336 50 10 JKGE Fc1ccc(C(F)(F)F)cc1[C@@H](Cl)c1cc(Br)sc1Br 125424090 UAZCEOSWKQOZNG-SNVBAGLBSA-N 452.492 6.759 50 10 JKGE Cc1cc([C@H](Br)c2cc(Br)ccc2Br)ccc1Cl 138382719 RGOMRGIYGNPVEP-AWEZNQCLSA-N 453.399 6.658 50 10 JKGE CC[C@H](C)N1C(=O)C(C#N)=C(C)/C(=C/c2cn(-c3ccccc3)nc2-c2ccc(OC(C)C)cc2)C1=O 214258561 GZPQOOOVWNMHHG-ZWXNIRCYSA-N 494.595 5.717 50 10 JKGE C[C@@H]1CCCC[C@@H]1NC(=O)[C@H](c1ccc(Cl)cc1)N(C(=O)CCl)c1cccc(Cl)c1 230274912 FPFZYFWZYWCANV-PDXHDDNESA-N 467.824 6.001 50 10 JKGE Fc1cc(Cl)c([C@H](Br)c2cc(Br)cc(Br)c2)cc1F 236213596 PMBFTSONIFLUON-CYBMUJFWSA-N 475.352 6.628 50 10 JKGE CCOc1cc(C=NNC(=O)c2ccc(NC(=O)C(C)C)cc2)ccc1OC(=O)/C=C\c1ccccc1 252621070 MSGGVFYKYQARIE-KYRVKJTGSA-N 499.567 5.063 50 10 JKGE CCC(=NNC(=O)c1cc(-c2ccc(CC)cc2)nc2c(Cl)cccc12)c1ccc(OC)cc1 254384526 SXETXRJREUZUEH-UHFFFAOYSA-N 471.988 6.670 50 10 JKGE CC[C@@H]1CCc2sc(C(=O)NN=Cc3ccc(Oc4ccc(F)cc4)c([N+](=O)[O-])c3)cc2C1 254392569 RITHCOJJGZURNU-OAHLLOKOSA-N 467.522 5.867 50 10 JKGE O=C(COc1ccc(-c2ccccc2)cc1)NN=Cc1ccc(OC(=O)c2ccc([N+](=O)[O-])cc2)cc1 254441925 YAZQIATTZMJRCF-UHFFFAOYSA-N 495.491 5.010 50 10 JKGE CCCOc1ccc(-c2nn(-c3ccccc3)cc2C=NNC(=O)COc2ccc(C)c(C)c2)cc1 254736511 NKJKLNGXLVOXRT-UHFFFAOYSA-N 482.584 5.474 50 10 JKGE CCCOC(=O)c1ccc2ccccc2c1OC(=O)[C@@]12CC[C@@](C)(C(=O)[C@H]1Br)C2(C)C 256019821 GTOZJEAZGDSSJK-BTZRARBUSA-N 487.390 5.471 50 10 JKGE Fc1ccc(Br)c([C@@H]2CN(Cc3ccccc3)C[C@H]2CI)c1 382693105 PXJGRNQFJIBENM-RHSMWYFYSA-N 474.155 5.239 50 10 JKGE CN(Cc1ccccc1)C1(Cn2c(CCl)nc3cc(Br)c(F)cc32)CCC1 386828470 HKVWUUUHWJBWPE-UHFFFAOYSA-N 450.783 5.731 50 10 JKGE C[C@@]1(Cn2c(CCCl)nc3cc(I)ccc32)CCN(Cc2ccccc2)C1 394275761 PHDZEGGFDRUMQE-JOCHJYFZSA-N 493.820 5.334 50 10 JKGE Cc1c(Cl)cccc1[C@@H]1CN(C(=O)OCc2ccccc2)C[C@@H]1CI 394692395 PJRLDQGFVPZCDE-FUHWJXTLSA-N 469.750 5.436 50 10 JKGE Fc1cc([C@@H](Br)c2cc(Br)cc(Br)c2)c(F)c(F)c1F 395603488 DJTMPZPLSOKGHP-JTQLQIEISA-N 476.887 6.252 50 10 JKGE Cc1ccc([C@@H](Br)c2c(Br)cc(F)c(F)c2F)cc1Br 398745665 UJXMCIBBRMFWKV-GFCCVEGCSA-N 472.924 6.422 50 10 JKGE Clc1cc([C@@H](Cl)c2ccc(Br)cc2Br)c(Cl)c(Cl)c1Cl 404944433 OOZJJOOYTIDHKI-JTQLQIEISA-N 498.256 8.153 50 10 JKGE CC(C)(C)[Si](C)(C)OCCc1ccc([C@H]2CNCCN2CCO[Si](C)(C)C(C)(C)C)cc1 616602989 DBYDKSZEQIYBQZ-XMMPIXPASA-N 478.870 6.219 50 10 JKGE Brc1scnc1[C@@H](Br)c1ccc(Br)c2ccccc12 698655989 UJCBEKMAIKSQIP-LBPRGKRZSA-N 462.004 6.306 50 10 JKGE Cc1sc([C@@H](Br)Cc2ccccc2Br)c(C)c1Br 724933228 DPJYIZNLXIUCIF-LBPRGKRZSA-N 453.037 6.569 50 10 JKGE N#C/C(=C/c1cccc(OCc2c(F)cccc2Cl)c1)C(=O)NCc1ccc2c(c1)OCO2 1084130585 JZMHNHDXDZDDFO-NVMNQCDNSA-N 464.880 5.010 50 10 JKGE CC(=NNC(=O)[C@@H]1[C@@H](C=C(Cl)Cl)C1(C)C)c1cc(C(F)(F)F)cc(C(F)(F)F)c1 1088668204 AQHNUDZVSKNBDU-OCCSQVGLSA-N 461.233 6.156 50 10 JKGE FC(F)(F)c1ccc(Cl)c([C@@H]2CN(Cc3ccccc3)C[C@@H]2CI)c1 1614630453 WGKKCKHPBTZJGD-WMLDXEAASA-N 479.711 6.009 50 10 JKGE CS(=O)(=O)c1ccc(-n2nc(-c3cc(C(F)(F)F)cc(C(F)(F)F)c3)cc2CCl)cc1 1614818126 BPZSXKVPCBZVAS-UHFFFAOYSA-N 482.833 5.719 50 10 JKGE CCOc1ccc(C=NNC(=O)COc2ccc(C(C)(C)C)cc2Br)cc1OCC 1772755947 VPVIGAGVWSUJMU-UHFFFAOYSA-N 477.399 5.073 50 10 JKGE O=C(N/N=C1\C(=O)N(Cc2ccccc2Cl)c2ccccc21)c1cccc(C(F)(F)F)c1 1860822646 KDEIWCHOELLTCI-RRAHZORUSA-N 457.839 5.040 50 10 JKGE COc1cc([C@@H]2C(C#N)=C(N)Oc3c2c(C)nn3-c2ccc(C)cc2)ccc1OCCc1ccccc1 1865688220 NJGROSSEOLJCPD-MUUNZHRXSA-N 492.579 5.337 50 10 JKGE CCOc1cccc([C@@H]2C(C#N)=C(N)Oc3c2c(-c2ccccc2)nn3-c2cccc(Cl)c2)c1 1865690728 ZRQRNSIOUBHZBH-HSZRJFAPSA-N 468.944 5.810 50 10 JKGE CCOc1ccc([C@H]2C(C#N)=C(N)Oc3c2c(-c2ccccc2)nn3-c2ccc(OC)cc2)cc1 1865693192 IDFQIKLIOUEECJ-DEOSSOPVSA-N 464.525 5.165 50 10 JKGE CCOc1ccc([C@@H]2C(C#N)=C(N)Oc3c2c(-c2ccccc2)nn3-c2ccc(OC)cc2)cc1OC 1865695298 NGCMKXSUGIMUDZ-RUZDIDTESA-N 494.551 5.173 50 10 JKGE Cc1ccc(-n2nc(C)c3c2OC(N)=C(C#N)[C@H]3c2ccccc2OCc2ccccc2Cl)cc1 1865703384 UYCLLKJAQJGBHJ-AREMUKBSSA-N 482.971 5.940 50 10 JKGE CCc1nn(-c2ccc(OC)cc2)c2c1[C@H](c1cccc(OCc3ccccc3)c1)C(C#N)=C(N)O2 1865711828 IUQUYYZOYYVPTA-AREMUKBSSA-N 478.552 5.240 50 10 JKGE C/C(=C\c1cccc(Cl)c1)C(=O)N[C@H](C(=O)Nc1ccc(SC#N)cc1)c1ccccc1 1866821111 XRWJTKJMMDILEF-IOUNIBQOSA-N 461.974 5.813 50 10 JKGE CC(C)(C)c1nc(Nc2ccc(SC#N)cc2)cc(N2CCC[C@@H]2Cc2ccc(Cl)cc2)n1 1868342577 WTZZOSCAWHZOSX-OAQYLSRUSA-N 478.065 6.956 50 10 JKGE COc1ccc(/C=C/C(O)=C(\C#N)c2nc(-c3cccc(Br)c3)cs2)cc1OC 1872745911 JMHLJLXFYWOGOM-MGXKBMBFSA-N 469.360 6.096 50 10 JKGE Cc1ccc(-c2csc(/C(C#N)=C(\O)c3cc(C(F)(F)F)cc(C(F)(F)F)c3)n2)cc1 1872749123 CBJOSKLREOEQAA-VLGSPTGOSA-N 454.395 7.106 50 10 JKGE CCCCCCOc1ccc(/C(O)=C(\C#N)c2nc(-c3cccc4ccccc34)cs2)cc1 1872752829 VBIMQRMIUMBEAF-RFBIWTDZSA-N 454.595 7.872 50 10 JKGE C=CCOc1ccccc1OC/C(O)=C(\C#N)c1nc(-c2cc(OCC)ccc2OCC)cs1 1872755138 ZXAZQSNEEKRLTA-XDOYNYLZSA-N 478.570 6.044 50 10 JKGE CCCCc1ccc(N2C[C@H](/C(O)=C(\C#N)c3nc(-c4ccc(C)c(C)c4)cs3)CC2=O)cc1 1872756654 UNBDCPXEHNJTGM-GEHZHUCRSA-N 471.626 6.615 50 10 JKGE COc1cc(Cl)c(C)cc1-c1csc(/C(C#N)=C(\O)[C@@H](C)Oc2ccc(Cl)cc2)n1 1872756874 FPSSRZXYTIFKEG-PWNVGIJBSA-N 461.370 6.694 50 10 JKGE CCc1ccc(-c2csc(/C(C#N)=C/c3c(OCc4ccccc4)ccc4ccccc34)n2)cc1 1872781632 NCEVBBQABRSWJX-NLRVBDNBSA-N 472.613 8.169 50 10 JKGE CCOc1c(Br)cc(/C=C(\C#N)c2nc(-c3cc(C)cc(C)c3OC)cs2)cc1OC 1872792514 CXTMDGURVJRLKF-RQZCQDPDSA-N 499.430 6.670 50 10 JKGE Brc1sc(Br)c([C@H](Br)[C@@]23COC[C@@H]2C3)c1Br 1894476310 YGNHFCYJGXMVOC-AYPRXHQESA-N 495.856 5.508 50 10 JKGE BrCC1(Cc2ccc(Br)cc2Br)CC2(CCCCC2)C1 1912547374 VZECNFNYNGVVMN-UHFFFAOYSA-N 465.067 6.880 50 10 JKGE Brc1cccc(CN2CC[C@@]3(CCC[C@H]3Br)C2)c1Br 1918936381 RTTYTTFNHUQFIS-HIFRSBDPSA-N 452.028 5.351 50 10 JKGE CC[C@@]1([C@H](Br)c2sc(Br)c(C)c2Br)CC1(F)F 1922935785 SFCWPDUSIFXLFO-SCZZXKLOSA-N 452.984 6.453 50 10 JKGE Cc1c(Br)sc([C@H](Br)[C@@H]2[C@H](C)O[C@@H](C)[C@H]2C)c1Br 1922953613 FTCLMDXGTJAJKU-GASNPYNPSA-N 461.057 6.077 50 10 JKGE Cc1c(Br)sc([C@@H](Br)[C@@H]2CCCCC2(F)F)c1Br 1922955365 YPBIXLXCFJEJDJ-CBAPKCEASA-N 467.011 6.843 50 10 JKGE CC1(C)CC[C@H]([C@@H](Br)c2c(Br)sc(Br)c2Cl)C1 1923072776 RMJHRUNHDRUZGX-POYBYMJQSA-N 465.476 7.189 50 10 JKGE Brc1sc(Br)c([C@H](Br)C2[C@@H]3CCC[C@@H]23)c1Br 1924576735 RSIYVKREWSBRNA-OKMMGKLZSA-N 493.884 6.518 50 10 JKGE CCC[C@H](CC(C)C)[C@@H](Cl)c1c(Br)sc(Br)c1Br 1924604396 BCOVKHHQDGORAQ-LDYMZIIASA-N 481.519 7.778 50 10 JKGE Fc1ccc(I)cc1[C@@H](Br)c1ccc(Br)cc1 2003649824 NUNXVBKJXVYEOS-ZDUSSCGKSA-N 469.917 5.677 50 10 JKGE Cn1cc([C@H](Br)c2cc(Br)ccc2Br)c(Br)n1 2005275428 ZTCYZHXWSXLWOF-SNVBAGLBSA-N 487.815 5.192 50 10 JKGE C[C@H](CCOc1c(Br)cc(Br)cc1CBr)C(F)F 2039987568 OXYRGKDIOAVQFI-SSDOTTSWSA-N 450.943 5.777 50 10 JKGE FC(F)c1cccc([C@@H](Br)c2sc(Br)cc2Br)c1 2052468154 ZNYNRSLNUMQQLK-SNVBAGLBSA-N 460.963 6.695 50 10 JKGE Cc1cc(Cl)c([C@H](Br)c2ccccc2I)cc1Cl 2081588686 IAPHNUWEPMFVIZ-CQSZACIVSA-N 455.948 6.391 50 10 JKGE CSc1ccccc1[C@H](Br)c1ccc(Br)cc1Br 2083337403 IOKHDWCBKUMMGW-CQSZACIVSA-N 451.021 6.418 50 10 JKGE Clc1ccc([C@@H](Cl)c2ccc(Br)cc2I)cc1Cl 2086150000 VLTOJDSAZUCSTH-CYBMUJFWSA-N 476.366 6.689 50 10 JKGE CC(C)Oc1ccc([C@H](Br)c2csc(Br)c2Br)cc1 2093942693 YHSMZMYRKHZODX-LBPRGKRZSA-N 469.036 6.545 50 10 JKGE Cc1c(Br)sc([C@H](Br)C2CC3(C2)CC(F)(F)C3)c1Br 2102619170 DICZQHIQCOKGMQ-SECBINFHSA-N 479.022 6.843 50 10 JKGE COc1ccc([C@H](Br)c2c(Cl)sc(Br)c2Cl)cc1Cl 2107099211 RFLDVPZFECPNME-VIFPVBQESA-N 465.421 6.964 50 10 JKGE C[C@@H](Cl)c1nc2cc(Cl)c(Br)cc2n1[C@H]1CCN(Cc2ccccc2)C1 2112690463 FRHMZDLSOGDFDL-HIFRSBDPSA-N 453.211 6.199 50 10 JKGE CN(Cc1cccc(Br)c1Br)[C@H]1CCCCC[C@@H]1Br 2115913468 GIQFXGDGWBVBFH-JSGCOSHPSA-N 454.044 5.740 50 10 JKGE CC1(C)CCCC[C@@]1(CBr)Cc1cc(Cl)ccc1I 2117025753 SKHJJGPEKLVJHG-INIZCTEOSA-N 455.605 6.469 50 10 JKGE C[C@H]1[C@@H](Br)C[C@H]2CC[C@H]1N2Cc1cc(Br)ccc1Br 2118522141 LTFVLFHWUSMZGO-VFGSGVCASA-N 452.028 5.348 50 10 JKGE O=C(N[C@@H](CBr)c1ccsc1)c1cccc(Br)c1Br 2119043620 MYWMESXXNUSCJQ-NSHDSACASA-N 468.008 5.139 50 10 JKGE Clc1c(Br)ccc(CBr)c1N1[C@H]2CCC[C@H]1CN(Cc1ccccc1)C2 2125905607 KJISUSKBFKUTCQ-ROUUACIJSA-N 498.690 6.241 50 10 JKGE Cc1cc(Br)c([C@H](Br)[C@H]2CC23CC(F)(F)C3)cc1Br 2132886768 BBHWHOZKDVDSEW-SKDRFNHKSA-N 458.966 6.391 50 10 JKGE COc1cc(F)c([C@@H](Br)c2ccc(OCc3ccccc3)cc2)cc1Br 2138160760 NKXMJUYYADGIRQ-NRFANRHFSA-N 480.171 6.660 50 10 JKGE BrCc1ccc(N2CCc3ccc(Br)cc3C2)c(Br)c1 2149905057 AOTAZBZNVRQWMZ-UHFFFAOYSA-N 460.007 5.669 50 10 JKGE CC1(C)CC2(C1)CC(CBr)(Cc1ccc(Br)cc1Br)C2 2157154595 MOZPQDJETQTACO-UHFFFAOYSA-N 465.067 6.736 50 10 JKGE Cc1cc(C)c([C@@H](Br)c2c(Br)nn(C)c2C)c(C)c1Br 2188149251 YJFULZOXNVODLZ-CQSZACIVSA-N 465.027 5.663 50 10 JKGE COc1cc(C)c([C@H](Br)c2cccc(C)c2Br)cc1Br 2198736902 JPWFXWZWOPGDLX-MRXNPFEDSA-N 463.007 6.321 50 10 JKGE CCCCCCCC[C@H](Br)c1c(C)c(Br)cc(C)c1Br 2201073375 ZPCYQMMODLJVTM-AWEZNQCLSA-N 469.099 8.015 50 10 JKGE Cc1cc(Cl)c(Br)cc1[C@H](Cl)c1cc(Cl)c(C)c(Br)c1 2202357014 QYHFFFNWKKCIMP-OAHLLOKOSA-N 457.420 7.463 50 10 JKGE COc1c(Cl)cc(Br)cc1[C@H](Br)c1cc(F)cc(Br)c1 2203004383 URHOKWKCVLNAPW-CYBMUJFWSA-N 487.388 6.497 50 10 JKGE COc1c(Br)cc(C)cc1[C@@H](Cl)c1ccc(Br)cc1Br 2203815059 QBEFIMBVKIHTQT-AWEZNQCLSA-N 483.425 6.619 50 10 JKGE FC(F)(F)[C@@H]1CC[C@@H]1[C@H](Br)c1cc(Br)c(Br)s1 2212875980 BYBSSSHLCVKADE-UUEMRFSQSA-N 456.947 6.298 50 10 JKGE CCN(C[C@](C)(CI)O[C@@H]1CCC[C@H](C(F)(F)F)C1)C(=O)OC(C)(C)C 2231384774 OZYSLEYWRHDLMR-VBQJREDUSA-N 493.348 5.575 50 10 JKGE Fc1cc([C@@H](Cl)c2cc(Cl)c(Br)s2)c(Cl)cc1Br 2255969742 MPEDWPBCSLKCCI-SNVBAGLBSA-N 453.385 7.047 50 10 JKGE CCOCc1cc(Br)c([C@H](Br)c2cocc2Br)s1 2258117103 HLSLEECSUKFNLN-LLVKDONJSA-N 458.997 5.887 50 10 JKGE CC(F)(F)CC[C@@H](Br)c1c(F)cc(Br)c(F)c1Br 2260071542 RDBAVPUGKSMQJQ-RXMQYKEDSA-N 456.897 6.361 50 10 JKGE Fc1cc(C[C@@H](Br)c2cc(Br)sc2Br)ccc1Cl 2263382616 PACINHRPKQKMNO-MRVPVSSYSA-N 477.418 6.744 50 10 JKGE Clc1nsc([C@@H](Cl)Cc2cc(Br)cc(Br)c2)c1Cl 2263515987 VVLZOOONTASFCO-QMMMGPOBSA-N 450.410 6.498 50 10 JKGE Cc1cc(Br)c([C@@H](Cl)c2cc(Br)sc2Br)c(C)c1F 2264475600 GPCXATWMJSDWOW-NSHDSACASA-N 491.445 7.120 50 10 JKGE Fc1cc(Br)c(F)c(Br)c1[C@@H](Br)CC1CCCCC1 2272737695 FGPHEGHMRDUPSL-VIFPVBQESA-N 460.982 6.896 50 10 JKGE Cc1cc(C(F)(F)F)sc1[C@H](Br)c1cc(Br)sc1Br 2277716151 PYRIQOLAAIKCNU-MRVPVSSYSA-N 499.009 7.146 50 10 JKGE Brc1cc(Br)cc(C[C@@H](Br)C2C[C@H]3CC[C@H](C2)C3)c1 2277945946 AHFBSIWZGFEGLC-XMZIXOGTSA-N 451.040 6.344 50 10 JKGE Clc1cccc([C@@H](Br)Cc2cc(Br)cc(Br)c2)c1Cl 2277956574 SCCZOGOIAMOXBV-LBPRGKRZSA-N 487.844 7.197 50 10 JKGE Cc1ccc([C@H](Br)c2cc3sc(Br)cc3s2)c(Br)c1 2278100563 KCTAUWJDIPONJK-AWEZNQCLSA-N 481.072 7.281 50 10 JKGE CCCCCOC(=O)c1ccc(NC(=O)C(C#N)=Cc2ccc(OC(=O)c3ccc(C)cc3)cc2)cc1 2293038480 GGWPOBUTARZMTD-UHFFFAOYSA-N 496.563 6.107 50 10 JKGE C=CCOc1ccccc1C=C(C#N)C(=O)Nc1ncc(Cc2ccc(Cl)cc2Cl)s1 2293038729 WQQOZAWIEHFUBB-UHFFFAOYSA-N 470.381 6.151 50 10 JKGE O=C(CSc1nnc(-c2ccc(Cl)cc2)n1-c1ccccc1)NN=CC=Cc1ccccc1 2293226896 MQSOHOMMQILWTO-UHFFFAOYSA-N 473.989 5.495 50 10 JKGE Brc1cc(Br)cc(C[C@H](Br)c2ccc3nsnc3c2)c1 2295329104 DGYQVAHISLHQOV-LBPRGKRZSA-N 477.019 5.895 50 10 JKGE FC(F)(F)c1cc([C@H](Br)Cc2cc(Br)cc(Br)c2)cs1 2295330064 QJZWJEQOWYDIOL-LLVKDONJSA-N 492.980 6.971 50 10 JKGE COc1ccc(C(=O)COc2ccc(C=C(C#N)c3nc(-c4ccc(Cl)cc4)cs3)cc2)cc1 2296801593 TWQPQJBQFQNPQF-UHFFFAOYSA-N 486.980 6.798 50 10 JKGE FC1(F)CC[C@H]([C@@H](Br)c2ccc(OCc3ccccc3)cc2Br)C1 2299496940 PJNGXNLUYRFAGU-KBXCAEBGSA-N 460.156 6.900 50 10 JKGE C[C@@H]1O[C@H](C)C[C@@H]1[C@@H](Br)c1cc(Br)ccc1OCc1ccccc1 2299500613 HHDXLPMCPPUNEP-VYPVPOJWSA-N 454.202 6.278 50 10 JKGE CC[C@@](C)(C(F)F)[C@@H](Br)c1ccc(OCc2ccccc2)cc1Br 2299828053 GTUDHYGUMIJUML-PKOBYXMFSA-N 462.172 7.146 50 10 JKGE Cc1c(Br)sc([C@H](Br)[C@@H]2[C@@H]3[C@H]2CCC3(F)F)c1Br 2309458261 CQKOSWPRMOBPCQ-BMLSCUAFSA-N 464.995 6.309 50 10 JKGE CC(C)(C)c1ccc(OCC(=O)NNC(=O)C=Cc2cccc3ccccc23)c(Br)c1 2313630218 ZKXUWTVXFBJMAG-UHFFFAOYSA-N 481.390 5.139 50 10 JKGE COc1cc(C=C(C#N)C(=O)Nc2ccc(C)c(C)c2)ccc1OCc1ccc(Cl)cc1Cl 2313681149 NERZFEYNBGKHPD-UHFFFAOYSA-N 481.379 6.744 50 10 JKGE Cc1c(NC(=O)C(C#N)=CC2=Cc3ccccc3O[C@@H]2c2ccccc2)c(=O)n(-c2ccccc2)n1C 2314433935 XRQMBCQVPQFWEB-MUUNZHRXSA-N 488.547 5.090 50 10 JKGE N#CC(=Cc1ccc(-c2c(Cl)cccc2Cl)o1)c1nc(-c2ccc3ccccc3c2)cs1 2314456835 BFWCODRGJVWHMZ-UHFFFAOYSA-N 473.384 8.594 50 10 JKGE Cc1cccn2c(=O)c(C=C(C#N)C(=O)Nc3cccc(Cl)c3)c(Oc3ccccc3F)nc12 2314534023 WHOMDYWORAJQCI-UHFFFAOYSA-N 474.879 5.133 50 10 JKGE CCOC(=O)c1ccc(NC(=O)C(C#N)=Cc2ccc3noc(-c4ccc(Cl)cc4)c3c2)cc1 2314572070 RWEJJTUABLNZIS-UHFFFAOYSA-N 471.900 5.871 50 10 JKGE CCc1ccc(C[C@H]2SC(=C(C#N)C(=O)Nc3cccc(C)c3)N(c3ccc(C)c(C)c3)C2=O)cc1 2314592333 REFZJNQVNHPTPZ-HHHXNRCGSA-N 495.648 6.239 50 10 JKGE COc1cc(C=C2C(=O)N(Cc3ccccc3)C(=O)C(C#N)=C2C)ccc1OCc1ccccc1F 2314618240 KCRQSJCRPHCGBG-UHFFFAOYSA-N 482.511 5.206 50 10 JKGE CC(C)c1ccccc1[C@@H](Br)c1sc(Cl)cc1I 2316600156 BHAVNSNMYLQZEC-CYBMUJFWSA-N 455.586 6.614 50 10 JKGE ClCc1cnc(Oc2cc(Br)cc(I)c2)c(Cl)c1 2316853249 POLJYPWPESFMFX-UHFFFAOYSA-N 458.908 5.633 50 10 JKGE CCCOc1c(Cl)cc(C=NNC(=O)Cc2cc(Cl)ccc2SC)cc1OCC 2323686544 MLBLJEYNJMIHMF-UHFFFAOYSA-N 455.407 5.596 50 10 JKGE O=C1C(=Cc2ccc(Br)cc2)Oc2cc(OCc3cccc(CCl)c3)ccc21 2325360438 BMXCBEPEYDUVJM-UHFFFAOYSA-N 455.735 6.383 50 10 JKGE N#CC(=C(O)CCCOc1ccc2ccccc2c1)c1nc(-c2ccc3ccccc3c2)cs1 2331238692 NBKPKQQCOZDVPK-UHFFFAOYSA-N 462.574 7.768 50 10 JKGE COc1ccc(-c2csc(C(C#N)=C(O)[C@H](C)Oc3ccccc3C(C)C)n2)cc1OC 2331242484 HLFZUIPYEOIMMS-INIZCTEOSA-N 450.560 6.211 50 10 JKGE N#CC(=C(O)c1c(Cl)ccc(Cl)c1Cl)c1nc(-c2ccc(Br)cc2)cs1 2331260040 HHHYHLXYRHOUPN-UHFFFAOYSA-N 486.605 7.483 50 10 JKGE N#CC(=C(O)CCCOc1ccccc1Cl)c1nc(-c2ccc(Br)cc2)cs1 2331260602 QAXCUROAAONJIC-UHFFFAOYSA-N 475.795 6.878 50 10 JKGE CCCCCCCOc1ccc(-c2csc(C(C#N)=C(O)c3cc(Cl)ccc3OC)n2)cc1 2331345437 KAMVYEGPPJSKTH-UHFFFAOYSA-N 483.033 7.771 50 10 JKGE COc1cc(C)c(-c2csc(C(C#N)=C(O)C=Cc3cccc([N+](=O)[O-])c3)n2)cc1C(C)C 2331353952 REFWDIYNNOQVBE-UHFFFAOYSA-N 461.543 6.665 50 10 JKGE CCc1cccc(C)c1N1C[C@H](C(O)=C(C#N)c2nc(-c3cc(C)cc(C)c3OC)cs2)CC1=O 2331373274 UEGAUCXHXQUYSR-HXUWFJFHSA-N 487.625 6.152 50 10 JKGE COc1ccc(-c2csc(C(C#N)=C(O)COc3ccc(Cl)cc3Cl)n2)c(OC)c1 2331385468 GLCQNDYKOZOMMZ-UHFFFAOYSA-N 463.342 6.006 50 10 JKGE CCCCCCOc1ccc(C(O)=C(C#N)c2nc(-c3ccc(OC)c(Cl)c3)cs2)cc1 2331398104 HGXMVAUPFKCEIS-UHFFFAOYSA-N 469.006 7.381 50 10 JKGE CCN(Cc1ccccc1)c1ccc(C=C(C#N)c2nc(-c3ccc(OC)cc3)cs2)cc1 2331431563 XPKIKQBXGGYENM-UHFFFAOYSA-N 451.595 6.909 50 10 JKGE COc1ccccc1-c1csc(C(C#N)=Cc2cc(Br)cc(Br)c2O)n1 2331436124 JRRALGFKKGFADL-UHFFFAOYSA-N 492.192 6.113 50 10 JKGE FC1(F)CC[C@@H]1C[C@H](Br)c1c(Br)cc(Cl)c(Cl)c1Cl 2335422018 NYDBCMZLSVAYMR-RITPCOANSA-N 457.367 7.281 50 10 JKGE FC[C@@]12CC[C@@]([C@@H](Br)c3cc(Br)ccc3OCc3ccccc3)(CO1)C2 2336045685 YLGVHYJQZQRANX-ACRUOGEOSA-N 484.203 6.373 50 10 JKGE COc1cccc([C@@H](Br)c2cc(Br)ccc2OCc2ccccc2)c1Cl 2336045694 YMKMRSGYQMAISF-HXUWFJFHSA-N 496.626 7.174 50 10 JKGE COc1ccc(Cl)cc1[C@@H](Cl)c1ccc(OCc2ccccc2)cc1Br 2336050754 MPTCPRDAHYOLIL-NRFANRHFSA-N 452.175 7.018 50 10 JKGE COC[C@]1(C)C[C@@H]1[C@H](Br)c1c(Cl)cc(Br)c(F)c1Br 2337089340 XZEOLSNQOJIANO-FZTXSHAMSA-N 479.409 6.113 50 10 JKGE CC1(C)CCC[C@H]1[C@@H](Br)c1c(Cl)cc(Br)c(F)c1Br 2337091834 HPXUBHZCMOFLKO-WRWORJQWSA-N 477.437 7.266 50 10 JKGE Fc1c(Br)cc(Cl)c([C@@H](Br)C2CC(C3CC3)C2)c1Br 2337101910 ALVMTHKPPRUPQT-TYAJBCFHSA-N 475.421 6.876 50 10 JKGE Cc1cccc(Oc2cc(Cl)c(F)cc2CBr)c1I 2337294567 OOGVGJGFHKGZTK-UHFFFAOYSA-N 455.492 6.079 50 10 JKGE Cc1c(Br)sc([C@@H](Br)[C@H]2COC3(CCC3)CO2)c1Br 2338814818 VBRDHODZRMNUBE-SCZZXKLOSA-N 475.040 5.356 50 10 JKGE COc1c(Br)cc(C)c([C@H](Cl)c2coc(Br)c2)c1Br 2339640036 UAKSOOPDEAXAAY-GFCCVEGCSA-N 473.386 6.212 50 10 JKGE Clc1ccc(I)cc1CN1CC2(CC[C@H]1CBr)CC2 2352411780 WQQUYVOKEQQDMW-ZDUSSCGKSA-N 454.577 5.084 50 10 JKGE Clc1ccc(I)cc1COc1cccc(Cl)c1CBr 2352425411 GLSCLPPTZBHCRN-UHFFFAOYSA-N 471.947 6.072 50 10 JKGE CC1(C)OCCO[C@@H]1[C@@H](Br)c1c(F)cc(Cl)c(Br)c1Cl 2360426251 JZQDPJJCARDOLJ-CMPLNLGQSA-N 450.957 5.525 50 10 JKGE Cc1cc(Br)c(F)c(Br)c1[C@H](Br)[C@@H]1C[C@@H]2CCCC[C@H]21 2365221577 VIJDQVCHOQKINH-ICUOPCATSA-N 469.030 6.921 50 10 JKGE Clc1ccc(COC[C@H](CBr)c2ccccc2)c(I)c1 2365632716 DLKTXDBWWMVFGY-AWEZNQCLSA-N 465.556 5.640 50 10 JKGE Clc1cc(Cl)cc(CC[C@H](Br)c2cc(Cl)cc(Br)c2)c1 2366888594 RSVVILOAMUUPQE-HNNXBMFYSA-N 457.420 7.478 50 10 JKGE CCOc1ccc([C@H](Br)c2cc(I)ccc2F)c(F)c1 2367461915 XRAFMWIIUHUOMA-HNNXBMFYSA-N 453.064 5.452 50 10 JKGE C[C@@]1(NC(=O)c2cc(Br)sc2Br)C[C@H]2CC[C@H]1C[C@H]2Br 2380907706 BFRCXTMDFAYTKT-ZCZIFAQMSA-N 486.067 5.345 50 10 JKGE CC[C@H](Oc1ccc(-c2ccccc2)cc1)C(=O)NNC(=O)c1ccc(C)c(Br)c1 14768772 GKXUWJZKHBSFQM-QFIPXVFZSA-N 467.363 5.043 50 10 JKGE COc1ccc(/C(C#N)=C\c2ccc(OC(=O)/C=C/c3ccc(Cl)cc3Cl)c(OC)c2)cc1 31902305 IWTOXILRSHIMAY-AADXMYGNSA-N 480.347 6.694 50 10 JKGE Cc1ccc([C@@H]2C(C#N)=C(N)OC3=C2S(=O)(=O)N(Cc2ccc(Cl)cc2)c2ccccc23)cc1 33267914 HQPLMJWNYSWTDG-HSZRJFAPSA-N 489.984 5.175 50 10 JKGE CCOc1cc(/C=C(/C#N)C(=O)NCc2ccco2)ccc1OCc1ccc(Br)cc1 33603366 YZHJYDHIAXMADS-UNOMPAQXSA-N 481.346 5.243 50 10 JKGE CCCCOc1cccc(-c2nn(-c3ccccc3)cc2/C=C(\C#N)C(=O)NCc2ccco2)c1 35446778 ZWPPMILBPYVKAW-CJLVFECKSA-N 466.541 5.535 50 10 JKGE CCCOc1cccc(C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@@H]3c2ccc(Cl)cc2Cl)c1 38655528 HDTNTERAVYHHLB-XMMPIXPASA-N 495.362 6.220 50 10 JKGE CCOc1cccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4ccc(OCC(C)C)cc4)ccc32)c1 38684930 DNHHCRNNEBCZAC-MHZLTWQESA-N 484.552 5.557 50 10 JKGE COc1cccc(NC(=O)/C(C#N)=C\c2c(Oc3ccccc3Cl)nc3c(C)cccn3c2=O)c1 39858684 GFBWAIPVWLGPCZ-LGMDPLHJSA-N 486.915 5.003 50 10 JKGE CCOc1ccc(/C=C(\C#N)C(=O)Nc2nc(-c3cccc(Br)c3)cs2)cc1 40927323 VLALYWIPRNOZFW-MHWRWJLKSA-N 454.349 5.517 50 10 JKGE COc1ccc2oc(=O)c(C(=O)Oc3ccc(/C=C(\C#N)c4ccc(Cl)cc4)cc3OC)cc2c1 40949521 FSMBJPYVRZWRIG-YBFXNURJSA-N 487.895 5.747 50 10 JKGE Cc1ccc(Cl)cc1NC(=O)/C(C#N)=C\c1ccccc1OCc1ccc(Cl)cc1Cl 59245197 IMCBWLBIXGHQCT-ZDLGFXPLSA-N 471.771 7.080 50 10 JKGE CCOc1cc(/C=C(/C#N)C(=O)Nc2ccc(C)cc2)cc(Cl)c1OCc1ccc(C)cc1 59335574 RTHAYNCBMONELF-XKZIYDEJSA-N 460.961 6.480 50 10 JKGE CCOc1ccc2nc(Sc3ccc(/C=N/NC(=O)Cc4cccc5ccccc45)o3)sc2c1 59506484 ZPUSKNNRZQZYGU-JVWAILMASA-N 487.606 6.285 50 10 JKGE Cc1cc(Br)ccc1[C@H](Br)c1cc(F)c(Br)cc1F 70474497 MEAWUCOUXWVDFD-AWEZNQCLSA-N 454.934 6.283 50 10 JKGE CCCCCCCOc1ccc(C(=O)NC(=S)NNC(=O)c2ccc(OCCC(C)C)cc2)cc1 100154557 XBTHVGHVLWYFCK-UHFFFAOYSA-N 499.677 5.410 50 10 JKGE CCCCCCCCCCCCCC(=O)NNC(=O)COc1ccc(Br)cc1Cl 100443084 OLMUMWFZWLPWGG-UHFFFAOYSA-N 489.882 6.330 50 10 JKGE Cc1ccc(NC(=O)/C(C#N)=C2/S[C@@H](Cc3ccc(C)c(Cl)c3)C(=O)N2c2ccccc2)cc1 102666427 ANEVWJGZELZNRA-ABPPERTMSA-N 488.012 6.022 50 10 JKGE COc1cc(Br)c([C@H](Br)c2cc(Br)ccc2C)cc1OC 115746892 SOXJREHXIPGSSH-MRXNPFEDSA-N 479.006 6.022 50 10 JKGE BrCC(CBr)(Cc1cc(Br)cs1)c1ccccc1 118670664 FDRBSLGTJYHCGW-UHFFFAOYSA-N 453.037 5.781 50 10 JKGE COc1ccc(Br)c(C[C@@H](CBr)c2cccc(Br)c2)c1 118859217 WWIHDHGOZWIAHZ-ZDUSSCGKSA-N 463.007 5.941 50 10 JKGE Fc1ccc([C@@H](Br)c2cc(Br)c(Br)s2)cc1C(F)(F)F 128291307 GPBUDNDHQWWSOL-SNVBAGLBSA-N 496.943 6.915 50 10 JKGE Brc1ccsc1[C@H](Br)c1ccccc1I 128547135 DHWBMBSECIMLGL-SNVBAGLBSA-N 457.956 5.600 50 10 JKGE Cc1cc(Br)c([C@@H](Br)[C@H]2CCOc3ccccc32)cc1Br 128806322 HKUITGRQGNEQCB-SJCJKPOMSA-N 475.018 6.522 50 10 JKGE C[C@@H](C1=C(P(c2ccccc2)c2ccccc2)CC=C1)P(C1CCCCC1)C1CCCCC1 148149818 ALPYQOCMZBZAJX-VWLOTQADSA-N 474.609 8.869 50 10 JKGE COc1ccc([C@H](Br)c2cccc(F)c2Br)cc1Br 156089291 JNGIPNBOJPCJES-ZDUSSCGKSA-N 452.943 5.844 50 10 JKGE C=CCOc1ccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)/C=C\c4ccc(OC)cc4)ccc32)cc1 205648094 CZGFOVPQERCGBW-YFPZVVALSA-N 480.520 5.097 50 10 JKGE CCCCOc1ccccc1/C=C\C(=O)Oc1ccc(/C=C(\C#N)C(=O)NCc2ccco2)cc1 206955257 CXKYASWMTCQMFR-BPMYLMOVSA-N 470.525 5.301 50 10 JKGE COc1ccc([C@H](Br)c2ccc(C)cc2Br)c(OC)c1Br 224856790 CHLUTQNNLYWBFZ-CQSZACIVSA-N 479.006 6.022 50 10 JKGE Cc1cc(Br)ccc1[C@@H](Br)c1cc(Br)cc2c1OCC2 228445912 YEIJOBKVXQJCKL-OAHLLOKOSA-N 460.991 5.939 50 10 JKGE CCOc1ccc(Br)cc1[C@H](Cl)c1ccc(Br)cc1Br 233785469 JUPGEXHVQVFFPY-OAHLLOKOSA-N 483.425 6.701 50 10 JKGE COc1ccc(C[C@H](Br)c2cc(I)ccc2Br)cc1 234929762 KCDRXPXCZYNJQO-HNNXBMFYSA-N 495.980 5.741 50 10 JKGE Fc1cc(F)c([C@H](Cl)c2cc(Br)ccc2I)c(F)c1 236263172 HJLWQSGIWRECJW-CYBMUJFWSA-N 461.446 5.799 50 10 JKGE 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 254111246 CMKAMRUVQONAPO-ARAATQISSA-N 474.726 6.612 50 10 JKGE CCCCCCCCCCCC(=O)NCC(=O)NN=Cc1ccc(OCc2ccccc2)cc1 254345029 UHMNAXLFLRTEGB-UHFFFAOYSA-N 465.638 5.753 50 10 JKGE Cc1nn(-c2ccccc2)c(O)c1C(=NNC(=O)c1ccc(-c2ccccc2)cc1)c1ccccc1 254479678 VSNLGFKUGHZUFP-UHFFFAOYSA-N 472.548 5.736 50 10 JKGE C[C@@H]1CCCCC1=NNC(=O)c1cccc(S(=O)(=O)Nc2cc(Cl)ccc2Cl)c1 254500872 MNZVSYXEQIYLCV-CYBMUJFWSA-N 454.379 5.090 50 10 JKGE C[C@@H]1CCC[C@H](COC2(CI)CCN(C(=O)OC(C)(C)C)CC2)C1 304167342 JUPHKPPTXHALCQ-CVEARBPZSA-N 451.389 5.034 50 10 JKGE CCN(C[C@](C)(CI)O[C@H]1C[C@H]2CC[C@@]1(C)C2(C)C)C(=O)OC(C)(C)C 387937945 FPKKBFXJLBKAAG-QMKUDKLTSA-N 479.443 5.669 50 10 JKGE CC(C)(CBr)CCCNC(=O)c1ccc(Br)cc1Br 393395141 STRARMFNIAVDDW-UHFFFAOYSA-N 456.016 5.143 50 10 JKGE C[C@H](Cl)c1nc2cc(I)c(F)cc2n1C1[C@H]2CN(Cc3ccccc3)C[C@H]12 398383558 VDVNZIDMHWIXEQ-QEJZJMRPSA-N 495.767 5.383 50 10 JKGE C=CCC(CBr)(CBr)Cc1cc(Cl)ccc1I 405305216 PUOHIEFXVNHFJO-UHFFFAOYSA-N 492.420 5.839 50 10 JKGE CC(C)(C)[Si](C)(C)OCCc1ccc([C@@H]2CCN(S(=O)(=O)c3ccccc3)CCO2)cc1 616596154 ZCTRLWRHFMXMCQ-DEOSSOPVSA-N 475.727 5.403 50 10 JKGE COc1ccc([C@H](Br)c2ccsc2Br)c(OC)c1Br 698577329 UMBLGDUBWRKJDN-JTQLQIEISA-N 471.008 5.775 50 10 JKGE Cl[C@H](c1cc(Br)sc1Br)c1ncsc1Br 698610140 MISCVLKKIOUTCD-RXMQYKEDSA-N 452.418 5.820 50 10 JKGE Cc1cc(C)nc(COc2c(Br)cc(Br)cc2CBr)n1 700452396 YMTHGBHCNSHVJK-UHFFFAOYSA-N 464.983 5.092 50 10 JKGE C[C@H](Cl)c1nc2c(Cl)cccc2n1CC1(N(Cc2ccccc2)Cc2ccccc2)COC1 705609786 KAFKKHMDGZJCFW-FQEVSTJZSA-N 480.439 6.461 50 10 JKGE Cc1cc(Br)c([C@@H](Br)c2ccc(C)c(Br)c2C)cc1Cl 719546148 QYVNIMRSYTUFPF-INIZCTEOSA-N 481.453 7.275 50 10 JKGE CC(C)(C)OC(=O)N1C[C@@H](CI)[C@H](c2ccccc2C(F)(F)F)C1 725411493 SMNHWIUTVMZKLW-DGCLKSJQSA-N 455.258 5.091 50 10 JKGE CC(=NNC(=O)CCSc1ccccc1)c1ccc2c(c1)[C@@H]1C=CC[C@@H]1[C@H](c1ccc(F)cc1)N2 1084055636 SIQOGTHLETUEAL-AHPZMPFVSA-N 485.628 6.675 50 10 JKGE COc1ccccc1NC(=O)/C(C#N)=C/c1cc(Cl)ccc1OCc1ccccc1Cl 1084093629 KDYNXBQBBOUAHK-LDADJPATSA-N 453.325 6.127 50 10 JKGE Cc1c(C(=O)Oc2ccc(Cl)cc2Cl)oc2c1C(=NNC(=O)c1ccccc1F)CCC2 1772744196 RZAYIZVIVDENGT-UHFFFAOYSA-N 475.303 5.724 50 10 JKGE Cc1cc(OCC(=O)NN=Cc2cn(Cc3ccccc3)c3ccccc23)ccc1Br 1772753940 IJATUYMHIQHPSI-UHFFFAOYSA-N 476.374 5.290 50 10 JKGE CCCc1nn(Cc2c(F)cccc2Cl)c2c1[C@@H](c1cccc(Cl)c1)C(C#N)=C(N)O2 1865683728 NYUNWQZQHCRXNC-FQEVSTJZSA-N 457.336 5.548 50 10 JKGE COc1ccc(-c2nn(Cc3ccc(C)cc3)c3c2[C@@H](c2ccc(Cl)cc2)C(C#N)=C(N)O3)cc1 1865684416 YBUDLOOGFUJRHN-DEOSSOPVSA-N 482.971 5.787 50 10 JKGE N#CC1=C(N)Oc2c(c(C(F)(F)F)nn2-c2cccc(Cl)c2)[C@H]1c1ccc(Cl)c(Cl)c1 1865686484 WTYWJSCQPPQSFR-HNNXBMFYSA-N 485.680 6.069 50 10 JKGE CCc1nn(-c2ccc(C)cc2)c2c1[C@H](c1ccc(OCc3ccccc3)c(OC)c1)C(C#N)=C(N)O2 1865687290 NSTIDFBFEXQQDQ-HHHXNRCGSA-N 492.579 5.549 50 10 JKGE CCOc1ccc([C@H]2C(C#N)=C(N)Oc3c2c(-c2ccc(OC)cc2)nn3Cc2ccccc2)cc1 1865692308 AVJADVRCNJMTSZ-VWLOTQADSA-N 478.552 5.224 50 10 JKGE CCn1nc(-c2ccccc2)c2c1OC(N)=C(C#N)[C@@H]2c1ccc(OCc2ccc(C)cc2)c(OC)c1 1865695151 LGWGWBRCXBLTAL-SANMLTNESA-N 492.579 5.684 50 10 JKGE C[C@H](Oc1ccc(Cl)cc1Cl)/C(O)=C(\C#N)c1nc(-c2ccc([N+](=O)[O-])cc2)cs1 1872747029 KTFVGFNGJHKKKT-HSHIVQNRSA-N 462.314 6.285 50 10 JKGE N#C/C(=C(/O)CNC(=O)c1ccc(Cl)cc1Cl)c1nc(-c2ccc([N+](=O)[O-])cc2)cs1 1872747217 SLBKEQSPORADIC-SDXDJHTJSA-N 475.313 5.248 50 10 JKGE COc1c(Cl)cc(-c2csc(/C(C#N)=C(\O)c3cccc(Oc4ccccc4)c3)n2)cc1Cl 1872755886 KSRHZNAWGIMQBD-NMWGTECJSA-N 495.387 7.868 50 10 JKGE COc1ccc(-c2csc(/C(C#N)=C(\O)c3c(Cl)ccc(Cl)c3Cl)n2)c2ccccc12 1872758772 PTOSPTCSHLBCPO-JCMHNJIXSA-N 487.795 7.882 50 10 JKGE CCOc1ccc(/C=C(\C#N)c2nc(-c3ccc(-c4ccccc4)cc3)cs2)cc1OCC 1872782359 GPCDCLPLHAPXML-LFVJCYFKSA-N 452.579 7.339 50 10 JKGE FC1(F)CC[C@H](Br)[C@H](Cc2cccc(Br)c2Br)CC1 1881848604 DYVYKPVSYMPUDN-ONGXEEELSA-N 460.982 6.343 50 10 JKGE Brc1cc([C@@H](Br)C2CC(Br)C2)c(Br)s1 1893068125 FFKMHWPEBQIRIN-YXFGPURMSA-N 467.846 5.883 50 10 JKGE CC(C)C[C@H](Br)CCc1ccc(I)c(Br)c1 1904328912 YKOIZPWAUOLOJK-LLVKDONJSA-N 459.991 5.796 50 10 JKGE C[C@@H](Br)CN(Cc1ccccc1)S(=O)(=O)c1ccc(Cl)cc1C(F)(F)F 1914653993 BKCPXJMVAYDQIB-GFCCVEGCSA-N 470.738 5.333 50 10 JKGE COCC(C)(C)N(Cc1ccccc1)S(=O)(=O)c1cc(CCl)cc(C)c1Br 1915484260 HEVPGCLSOCYTDO-UHFFFAOYSA-N 474.848 5.112 50 10 JKGE Cc1c(Br)sc([C@H](Br)Cc2cccc(F)c2)c1Br 1922945602 HZGHYPWJXZSWOH-SNVBAGLBSA-N 457.000 6.399 50 10 JKGE Fc1cccc([C@H](Cl)c2c(Br)sc(Br)c2Cl)c1Cl 1923039230 NDBPTABBBWLCSG-QMMMGPOBSA-N 453.385 7.047 50 10 JKGE Clc1c(Br)sc(Br)c1[C@H](Cl)c1sncc1Br 1923047165 APIOYVFLUSJEOO-BYPYZUCNSA-N 486.863 6.474 50 10 JKGE Cc1cc([C@@H](Br)c2c(Br)sc(Br)c2Cl)cs1 1923074915 UDVPOLUNWPFUBD-SSDOTTSWSA-N 465.457 6.781 50 10 JKGE Cc1ccc(Br)c([C@H](Br)c2c(Cl)sc(Br)c2Cl)c1 1925590046 WIGDACUZBQNETI-VIFPVBQESA-N 493.873 7.373 50 10 JKGE CC[C@@H](Br)CN(Cc1ccccc1)C(=O)c1cscc1OCc1ccccc1 1934836820 XVBDOEQEYGMHBK-HXUWFJFHSA-N 458.421 6.143 50 10 JKGE Cl[C@@H](Cc1cccc(Br)c1)c1csc(Br)c1Br 1945183393 DPXBMKVWQABBGI-JTQLQIEISA-N 459.428 6.558 50 10 JKGE Clc1cc([C@H](Cl)c2c(Br)sc(Br)c2Cl)sc1Cl 1950177584 LCZYAGNGUVTSLU-YFKPBYRVSA-N 475.869 7.623 50 10 JKGE Clc1c(Br)sc(Br)c1[C@H](Cl)c1cc(Br)sn1 1983291440 VGTVQMAAFPNNEO-RXMQYKEDSA-N 486.863 6.474 50 10 JKGE FC1(F)CCOC[C@@H]1[C@H](Br)c1cc(Br)sc1Br 2001816486 CONHEBUXLSJNEL-HTRCEHHLSA-N 454.956 5.381 50 10 JKGE CCC(CC)(CC)[C@@H](Cl)c1c(Br)sc(Br)c1Br 2011187452 QGSPSBPWAFXSER-VIFPVBQESA-N 467.492 7.532 50 10 JKGE FC1(F)CC2(C[C@@H]2[C@H](Br)c2cc(Br)sc2Br)C1 2015442605 HKCLSNAUYRTINZ-HTRCEHHLSA-N 450.968 6.145 50 10 JKGE Cc1cc(Br)c([C@H](Br)C2(C(F)(F)F)CC2)cc1Br 2027673894 YXTGGOOYSZFKIJ-JTQLQIEISA-N 450.918 6.299 50 10 JKGE Fc1cc(Br)c(Cl)cc1[C@@H](Br)c1scc(Cl)c1Cl 2035093214 FXXAZAMHPQSKTN-SECBINFHSA-N 453.385 7.094 50 10 JKGE COc1cc(Br)ccc1[C@@H](Br)c1sc(Br)cc1C 2038506613 QAGLJHMTBPYRKH-GFCCVEGCSA-N 455.009 6.074 50 10 JKGE CCO[C@@H]1CC[C@H]([C@@H](Cl)c2c(Br)sc(Br)c2Br)C1 2054501553 YWTMCORYJLUKMT-NYNCVSEMSA-N 481.475 6.521 50 10 JKGE C[C@@H](c1cccs1)N(Cc1ccccc1)S(=O)(=O)c1cc(CBr)cs1 2059282005 DQLJHWDUCSQHIF-AWEZNQCLSA-N 456.452 5.657 50 10 JKGE Brc1cc([C@@H](Br)c2scc3c2CCCC3)sc1Br 2066981115 VNIOPKFBWWHOSU-LLVKDONJSA-N 471.077 6.698 50 10 JKGE ClCc1nc2cc(Br)c(Cl)cc2n1Cc1cnn(Cc2ccccc2)c1 2103624067 NEIJKOYMSHJOBH-UHFFFAOYSA-N 450.167 5.484 50 10 JKGE Cc1cc(Br)c(C)c([C@@H](Br)c2ccc(F)cc2)c1Br 2136380947 XNYPYCDAVQPMOX-HNNXBMFYSA-N 450.971 6.452 50 10 JKGE COc1ccc([C@@H](Cl)c2cc(Br)c(Br)s2)c(Cl)c1Cl 2138635468 QKNINTUKFCAGCN-SECBINFHSA-N 465.421 6.917 50 10 JKGE Cc1ccc(Cl)c([C@H](Br)c2ccc(Br)c(C)c2Br)c1 2138872634 LJZMNNPFRGTPCE-OAHLLOKOSA-N 467.426 6.966 50 10 JKGE CC1(C)[C@H]2CC[C@@H](C2)[C@]1(CBr)Cc1cccc(Br)c1Br 2148759088 FBLDPSJXFWAHIH-GDZNZVCISA-N 465.067 6.592 50 10 JKGE BrC[C@H]1CN(Cc2ccc(Br)cc2Br)CCC12CCC2 2151655537 LPUHNRZZOJGGDD-ZDUSSCGKSA-N 466.055 5.599 50 10 JKGE Cc1c(Br)sc([C@H](Br)[C@@H]2CCC[C@@]3(C2)CC3(F)F)c1Br 2156116485 LBGGFDXYYDCYAV-ZDSQKVDBSA-N 493.049 7.233 50 10 JKGE C[C@H]1C[C@@H](n2c(CCl)nc3cc(Br)c(Cl)cc32)CCN1Cc1ccccc1 2159871948 OQVVTUVTOPVXOQ-HOCLYGCPSA-N 467.238 6.417 50 10 JKGE ClCCc1nc2cc(Cl)c(Br)cc2n1[C@H]1[C@@H]2CN(Cc3ccccc3)C[C@@H]21 2169003959 KAALLLFWMDRWQU-PBFBIOBFSA-N 465.222 5.536 50 10 JKGE COc1ccc(Br)cc1Oc1cc(C)cc(Br)c1CBr 2173449261 DPWGSKZOKCJRJZ-UHFFFAOYSA-N 464.979 6.216 50 10 JKGE CO[C@@H]1CC([C@H](Br)c2cc(Br)c(C)cc2Br)C[C@H]1OC 2174900826 KMTDMGRKTNSPSN-KFWWJZLASA-N 471.027 5.396 50 10 JKGE Cc1cc(Br)c(C)c([C@@H](Br)[C@@H]2C[C@@H]3CCC[C@@H]3C2)c1Br 2201070451 BPYMZQKWPWPAMQ-ZBYUQBLASA-N 465.067 7.091 50 10 JKGE Cc1ccc([C@@H](Br)c2c(C)c(Br)cc(C)c2Br)c(F)c1 2201071411 FIABKQIDKIXSET-MRXNPFEDSA-N 464.998 6.760 50 10 JKGE Cc1cc(Br)c(C)c([C@@H](Cl)c2cc3sccc3s2)c1Br 2201078423 OQELVJQBLLSYNW-HNNXBMFYSA-N 450.648 7.433 50 10 JKGE Cc1ccc([C@H](Br)c2c(Br)cc(F)c(Cl)c2F)c(Br)c1 2201619102 NVXNRTPFISHBEV-LBPRGKRZSA-N 489.379 6.936 50 10 JKGE Cc1c(Br)ccc([C@H](Br)c2ccsc2C(F)(F)F)c1Br 2203703668 JKVGYQSWHWGNMC-NSHDSACASA-N 492.980 7.085 50 10 JKGE COc1c(C)cc(Br)cc1[C@@H](Br)c1ccc(F)cc1Br 2206570759 ROSQYUZFEAAIQY-AWEZNQCLSA-N 466.970 6.152 50 10 JKGE Cc1c(Br)ccc([C@H](Br)C2C[C@H]3COC[C@H](C2)C3)c1Br 2206761609 SIBMEXLLKZLPBE-XMZIXOGTSA-N 467.039 6.019 50 10 JKGE COc1ccc(OC)c([C@@H](Cl)c2ccc(Br)cc2I)c1 2207272472 OABIHHQQXLTSGW-HNNXBMFYSA-N 467.528 5.399 50 10 JKGE Fc1cc(Br)c(Br)cc1[C@@H](Br)c1coc(Br)c1 2213488438 DXNBOWSCIRQTSA-NSHDSACASA-N 491.774 6.191 50 10 JKGE Cc1c(Br)sc([C@@H](Cl)c2csc(Br)c2Br)c1C 2213621128 WELKVXJCZZQPII-QMMMGPOBSA-N 479.484 7.042 50 10 JKGE C[C@@]1([C@@H](Br)c2c(Br)cc(Cl)c(Cl)c2Cl)CCCOC1 2224309827 DDLUVKKCLUVDIG-QWHCGFSZSA-N 451.413 6.662 50 10 JKGE Fc1cc(Br)cc(N2C[C@@H]3CCC[C@H](C2)N3Cc2ccccc2)c1CBr 2226342692 ZPLHARRHEJOMAP-HDICACEKSA-N 482.235 5.726 50 10 JKGE COc1cc(Br)c([C@H](Cl)c2cc(Br)c(Br)s2)cc1C 2227731921 PEHAKPTVHSYTRN-LBPRGKRZSA-N 489.454 6.681 50 10 JKGE Clc1ccc(Br)cc1[C@H](Cl)c1c(Br)cc(Cl)c(Cl)c1Cl 2232509367 COEMKVPAQUXTCH-NSHDSACASA-N 498.256 8.153 50 10 JKGE CCCCCCCCC[C@H](Br)c1cc(Br)c(Br)cc1F 2233977039 SITKDGNGVMTWKS-ZDUSSCGKSA-N 473.062 7.927 50 10 JKGE Cc1sc(CN(C)c2ccc(Br)cc2CBr)c(Br)c1C 2237724776 NKJGMQULOWIACJ-UHFFFAOYSA-N 482.079 6.421 50 10 JKGE FC1(F)CC[C@@H]([C@@H](Cl)c2c(Br)sc(Br)c2Br)C1 2252721265 LJXOYTJMEQKYMY-CLZZGJSISA-N 473.402 6.751 50 10 JKGE Cc1sc(C(Br)c2sc(C)c(C)c2Br)c(Br)c1C 2253468280 SXKGXFXUURRLHX-UHFFFAOYSA-N 473.093 7.053 50 10 JKGE COc1ccc([C@H](Br)c2ccccc2Br)cc1I 2257368776 JOUBFHBHVFJKKQ-AWEZNQCLSA-N 481.953 5.547 50 10 JKGE COc1cc(Cl)c(Cl)cc1[C@@H](Cl)c1cc(Br)c(Br)s1 2264371978 RVQXUGIPQWAZLQ-LLVKDONJSA-N 465.421 6.917 50 10 JKGE CN(Cc1cccc(I)c1)c1ccc(Br)cc1CCl 2265532587 LDDWCFMBWNHWGF-UHFFFAOYSA-N 450.545 5.429 50 10 JKGE CN(Cc1cccc(I)c1)c1ccc(CBr)c(Cl)c1 2265545582 KQMWOVCRZKXDPA-UHFFFAOYSA-N 450.545 5.476 50 10 JKGE Brc1cc2c(c([C@H](Br)c3cocc3Br)c1)OCCC2 2270486711 CMUGWENSGDRQLL-ZDUSSCGKSA-N 450.952 5.614 50 10 JKGE Fc1cc(Br)c(F)c(Br)c1[C@H](Br)[C@]12CCC[C@@H]1CC2 2273331886 RDGKJDSXLRGMSS-ISEFBEROSA-N 458.966 6.506 50 10 JKGE Brc1ccc([C@@H](Br)c2ccc3scnc3c2)c(Br)c1 2278611477 QRJSWTFVLVYWGL-AWEZNQCLSA-N 462.004 6.306 50 10 JKGE COc1ccc([C@@H](Br)c2cc(Br)ccc2F)c(Br)c1Cl 2283559164 FHGQLJAHGNNLEQ-GFCCVEGCSA-N 487.388 6.497 50 10 JKGE Fc1cc(Br)c(F)c(Br)c1[C@@H](Br)C12CCC(F)(CC1)C2 2288343752 BHXKUOVGFPQJCZ-IYXRBSQSSA-N 476.956 6.598 50 10 JKGE N#CC(=Cc1ccccc1OCc1ccc(Br)cc1)S(=O)(=O)c1ccccc1 2293190895 TVDVLAMPILJBKJ-UHFFFAOYSA-N 454.345 5.366 50 10 JKGE CCCCCCCC=CC(=O)O[C@H]1CCC(C)(C)C(C=CC(C)=CC=CC(C)=CC=O)=C1C 2294818672 CEPKSHHOWXXOTK-NDEPHWFRSA-N 452.679 8.155 50 10 JKGE COc1ccc([C@@H](Cl)c2cc3sc(Br)cc3s2)c(Br)c1 2295503002 FZXLUNKBTOIIKV-CQSZACIVSA-N 452.620 6.825 50 10 JKGE CC(C)[C@@H](Cl)C(=O)N1CCC(c2nc(N(C)C)ncc2-c2ccc(C(F)(F)F)cc2)CC1 2296578151 LWHHCMMOGSYQDB-LJQANCHMSA-N 468.951 5.198 50 10 JKGE N#CC(=Cc1ccc(OCc2ccccc2C#N)c(Br)c1)c1nc2ccccc2[nH]1 2297373137 LELINJTZLITRKP-UHFFFAOYSA-N 455.315 5.840 50 10 JKGE Cc1cc([C@H](Cl)c2ccc(OCc3ccccc3)cc2Br)sc1Br 2299501469 OLJBWYUVMQYAFV-GOSISDBHSA-N 486.656 7.489 50 10 JKGE N#CC(=Cc1ccc(-c2ccc([N+](=O)[O-])cc2Cl)o1)C(=O)Nc1sc2c(c1C#N)CCCC2 2314486329 CFPPDFGAPXQQKV-UHFFFAOYSA-N 478.917 5.866 50 10 JKGE Fc1cc([C@@H](Br)c2ccc(OCc3ccccc3)cc2Br)ccc1Cl 2314501191 VCUGXVUQXFZAQB-HXUWFJFHSA-N 484.590 7.305 50 10 JKGE COc1ccc(Oc2nc3c(C)cccn3c(=O)c2C=C(C#N)C(=O)Nc2ccc(Cl)cc2)cc1 2314531755 DSVMJJUWEZGPBB-UHFFFAOYSA-N 486.915 5.003 50 10 JKGE COc1cc(C=C(C#N)c2ccc(Cl)cc2)ccc1OC(=O)c1ccc(-c2ccccc2)cc1 2314720627 VDPYBUUDNYXGNJ-UHFFFAOYSA-N 465.936 7.299 50 10 JKGE Cc1cc(Cl)c(Br)cc1[C@@H](Br)c1c(Br)ncn1C 2315625713 QNPNJESFOXIKMG-SNVBAGLBSA-N 457.391 5.391 50 10 JKGE COc1cc(C=NNC(=O)c2ccccc2OC)ccc1OCc1ccc(Cl)c(Cl)c1 2318413569 MZACXHYBYYHVLW-UHFFFAOYSA-N 459.329 5.354 50 10 JKGE CN(Cc1ccc(I)c(Br)c1)[C@@H](CBr)CC1CC1 2325229849 QAYXHJFGULMRBQ-GFCCVEGCSA-N 487.017 5.049 50 10 JKGE CCOc1cc(C=C(C#N)c2cc3c(cc2[N+](=O)[O-])OCCO3)ccc1OCc1cccc(Cl)c1 2331051611 QNDCPGNKEAWMNJ-UHFFFAOYSA-N 492.915 6.061 50 10 JKGE COc1cc(C)c(-c2csc(C(C#N)=C(O)CCCOc3cc(C)c(Cl)c(C)c3)n2)cc1C 2331403053 WAXVJHYLVXTGHS-UHFFFAOYSA-N 483.033 7.358 50 10 JKGE CCOc1ccccc1OCC(O)=C(C#N)c1nc(-c2ccc(OC)c(OC)c2OC)cs1 2331412833 LAMVJJYYYRIHLY-UHFFFAOYSA-N 468.531 5.106 50 10 JKGE COc1cc(C=C(C#N)c2nc(C(C)C)cs2)ccc1OCc1ccc(Cl)cc1Cl 2331451089 MWYWPSIIXHNMHI-UHFFFAOYSA-N 459.398 7.225 50 10 JKGE Fc1c(Cl)cccc1C[C@H](Br)c1cc(Br)ccc1OCc1ccccc1 2336038217 LJUIOSGTFCXFPO-SFHVURJKSA-N 498.617 7.499 50 10 JKGE Brc1cc(OCc2ccccc2)ccc1[C@@H](Br)[C@@H]1CCCCC12CCC2 2336040362 FCFWXWSALKEYKW-RBBKRZOGSA-N 478.268 7.825 50 10 JKGE FC1(F)[C@@H]([C@@H](Br)c2ccc(OCc3ccccc3)cc2Br)C12CCCC2 2336041544 OUPNNKRCRIXMIN-OALUTQOASA-N 486.194 7.290 50 10 JKGE Fc1ccc([C@@H](Br)c2cc(Br)ccc2OCc2ccccc2)c(F)c1F 2336047249 KJOWGRNITGCYFT-GOSISDBHSA-N 486.125 6.930 50 10 JKGE Cc1cc(Br)c(F)c(Br)c1[C@H](Br)[C@H](C)CC(C)(C)C 2339651426 PKZIXOYTYHWYAG-BXKDBHETSA-N 459.035 7.167 50 10 JKGE COc1c(Br)cc(C)c([C@H](Br)[C@@H]2COC[C@@H]2C)c1Br 2339653235 HKBBCPDPCMBSKX-YGOYTEALSA-N 457.000 5.247 50 10 JKGE Cc1cc(Br)c(F)c(Br)c1[C@@H](Br)[C@@H]1CCC(F)(F)C1 2339657990 DIMRXEDDODEOMI-XCBNKYQSSA-N 464.945 6.531 50 10 JKGE CCCOC1([C@H](Br)c2c(C)cc(Br)c(F)c2Br)CC1 2339687719 ZDETUCMGZWOLKH-CYBMUJFWSA-N 458.991 6.054 50 10 JKGE Brc1cc(OCc2ccccc2)ccc1[C@H](Br)[C@H]1C[C@@H]2CCCCCC[C@@H]21 2361168112 JJJHYAAFOUCHMI-NHTRMHBPSA-N 492.295 8.071 50 10 JKGE Fc1c(Br)cc(Cl)c([C@@H](Cl)[C@H]2CC[C@@H]3[C@H]2C3(F)F)c1Br 2362238209 HYGMSVMBXAMPBX-NRIVIEQESA-N 452.923 6.575 50 10 JKGE COc1c(Br)cc(C)c([C@H](Br)[C@H]2C[C@H]2C(C)(F)F)c1Br 2365192370 BPYCFBHOWAHEST-VAOFZXAKSA-N 476.981 6.256 50 10 JKGE COC1CC(CC[C@@H](Br)c2c(C)cc(Br)c(F)c2Br)C1 2365224370 XOZPKXVCDYJGFU-VQXHTEKXSA-N 473.018 6.300 50 10 JKGE CCc1ccsc1[C@H](Br)c1c(C)cc(Br)c(OC)c1Br 2365229849 DUUXDNLRFPUAOO-CYBMUJFWSA-N 483.063 6.637 50 10 JKGE CC(C)[C@H](Br)C(C)(C)CN(C)Cc1ccc(Br)cc1Br 2365993310 ZBUXKJBBKSNXDZ-HNNXBMFYSA-N 470.087 6.089 50 10 JKGE C[C@@H]1C[C@H]2C[C@]([C@H](Br)c3c(Cl)cc(Br)c(F)c3Br)(C2)O1 2368521701 URSNDVDLSQXJRE-CHFCKMNRSA-N 491.420 6.398 50 10 JKGE Cc1scc([C@H](Br)c2cc3nc(O)[nH]c3cc2Br)c1Br 2369593978 MLSAVGXGRQXPHI-GFCCVEGCSA-N 481.007 5.648 50 10 JKGE CCOc1ccccc1N/C(SCc1ccc(Cl)cc1)=C(/C#N)C(=O)NCc1cccs1 3058961 FFNKVBIKAJFZET-HIXSDJFHSA-N 484.046 6.197 50 10 JKGE O=C(N/N=C1\CCCCc2ccccc21)c1cccc(S(=O)(=O)Nc2ccccc2Cl)c1 12602372 MZMPVEPMTDBKTC-XTCLZLMSSA-N 467.978 5.001 50 10 JKGE C[C@@H](Oc1ccc(-c2ccccc2)cc1)C(=O)NNC(=O)CCCOc1ccc(Cl)cc1Cl 14038653 PGRBRZWDBADVMZ-QGZVFWFLSA-N 487.383 5.434 50 10 JKGE Cc1cc([C@@H]2C(C#N)=C(N)N(c3cc([N+](=O)[O-])ccc3Cl)C3=C2C(=O)CC(C)(C)C3)c(C)s1 27550481 YPLMDRHYQKHVQY-OAQYLSRUSA-N 482.993 5.867 50 10 JKGE COc1cc(/C=N\NC(=O)CSc2nc3ccccc3[nH]2)ccc1OCc1c(F)cccc1Cl 32519922 PDGDLGWJAIXMOT-PPDIBHTLSA-N 498.967 5.185 50 10 JKGE CCOC(=O)c1ccc(NC(=O)/C(C#N)=C\c2ccc(-c3ccc(Cl)c(Cl)c3)o2)cc1 33339816 VAFYHTOWYCPLBE-WJDWOHSUSA-N 455.297 5.976 50 10 JKGE COc1cc(/C=C(/C#N)c2ccccn2)ccc1OCC(=O)Nc1cccc(C(F)(F)F)c1 33665634 PDXFJRAPLXQAAO-BOPFTXTBSA-N 453.420 5.191 50 10 JKGE COc1ccccc1C(=O)NNC(=O)c1ccc2nc(-c3ccccc3)c(-c3ccccc3)nc2c1 33809160 QGWKSVLXPBAMRJ-UHFFFAOYSA-N 474.520 5.047 50 10 JKGE N#CC1=C(N)Oc2cc(OC(=O)COc3cccc(Cl)c3)ccc2[C@H]1c1cccc(Cl)c1 38651269 COAGQBRHTGCFBP-HSZRJFAPSA-N 467.308 5.196 50 10 JKGE C[C@@H](Oc1ccccc1F)C(=O)Oc1ccc2c(c1)OC(N)=C(C#N)[C@H]2c1ccc(Cl)cc1 38651370 HEEALAMYLDFAEU-FATZIPQQSA-N 464.880 5.070 50 10 JKGE Cc1c(C(=O)NCc2ccccc2Cl)oc2c1/C(=N/NC(=O)c1ccccc1Cl)CCC2 40812567 KOBQAXHKVNTRQA-TURZUDJPSA-N 470.356 5.295 50 10 JKGE COc1ccc(C)cc1NC(=O)c1oc2c(c1C)/C(=N/NC(=O)c1ccccc1Cl)CCC2 40812602 BPVLKQAECNIUDL-MTDXEUNCSA-N 465.937 5.281 50 10 JKGE Cc1c(C(=O)Nc2ccccc2)oc2c1/C(=N/NC(=O)c1ccccc1Br)CCC2 40812918 OEIVALLTVJRURG-NLRVBDNBSA-N 466.335 5.073 50 10 JKGE CCOC(=O)c1ccc(NC(=O)c2oc3c(c2C)/C(=N/NC(=O)c2cccc(Cl)c2)CCC3)cc1 40813335 ODLYCPXASYFDQO-ZTKZIYFRSA-N 493.947 5.141 50 10 JKGE COc1cc(/C=N/NC(=O)COc2cc(C)c(Cl)c(C)c2Br)ccc1OC(C)C 40950771 MRZGZUYMIDZXBI-YSURURNPSA-N 483.790 5.044 50 10 JKGE CCCCCCCCCCCCCCCCOC(=S)N[C@@H]1CS(=O)(=O)C[C@@H]1Cl 59568433 YFEGLVIVJRHYHD-VQTJNVASSA-N 454.142 5.763 50 10 JKGE Fc1cc([C@@H](Br)c2cc(Br)ccc2Cl)c(F)cc1Br 70474579 FIEKFNVSPXWAHS-ZDUSSCGKSA-N 475.352 6.628 50 10 JKGE C[C@@H]1CCC[C@H](NC(=O)[C@@H](c2ccc(F)cc2)N(CCc2ccccc2)C(=O)CCl)[C@@H]1C 97914519 NRCBDAJWYNIMMC-BCGVJQADSA-N 459.005 5.118 50 10 JKGE CCCSc1ccc(-c2nn(-c3ccccc3)cc2/C=C2/C(=O)N(CCC)C(=O)C(C#N)=C2C)cc1 101332826 XMRQRTCTPIWGAV-KOEQRZSOSA-N 496.636 6.044 50 10 JKGE Cc1ccc(N/C=C(/C#N)c2nc(-c3cc4ccccc4oc3=O)cs2)c(Br)c1 102418570 BRDRWZRWUNKSPO-PTNGSMBKSA-N 464.344 5.964 50 10 JKGE FC(F)(F)c1ccc(C[C@H](Br)c2ccc(I)cc2)cc1 110302690 GOMPBWFOHQPROX-AWEZNQCLSA-N 455.055 5.989 50 10 JKGE Fc1cc(Br)cc([C@@H](Cl)c2cc(Br)c(Br)s2)c1 128130286 YSMODBSPBVXGIA-SNVBAGLBSA-N 463.391 6.503 50 10 JKGE Brc1cc([C@@H](Br)C2C3CC4CC(C3)CC2C4)c(Br)s1 168433879 ZVSUTGIKKCDEMY-HUMXCFBVSA-N 469.080 6.781 50 10 JKGE Fc1cc([C@H](Br)c2cccc(Br)c2Cl)c(F)cc1Br 228453308 LVOREDOETHUOKW-GFCCVEGCSA-N 475.352 6.628 50 10 JKGE CC(C)(C#N)CCCCOc1c(Br)cc(CBr)cc1Br 232518006 AYOAALLTBLRJSX-UHFFFAOYSA-N 468.027 6.205 50 10 JKGE CC[C@@H](C)c1ccc([C@@H](Cl)c2cc(Br)ccc2I)cc1 233865950 WMJUXDNUOMVMQR-PIGZYNQJSA-N 463.584 6.895 50 10 JKGE COc1cc(F)c(Br)cc1[C@H](Br)c1ccc(Br)c(C)c1 234913515 BJBCNDDDLKPPJR-OAHLLOKOSA-N 466.970 6.152 50 10 JKGE COc1cc(F)c(Br)cc1[C@H](Br)c1ccccc1I 234916296 QADOVXNIYLRNCG-CQSZACIVSA-N 499.943 5.686 50 10 JKGE C[C@H](Cl)c1ccccc1NC(=O)c1cc(Br)ccc1I 235490619 UXLMWTYCFZXUAD-VIFPVBQESA-N 464.528 5.606 50 10 JKGE CC(C)(c1ccccc1)c1ccc(OCC(=O)NN=Cc2cccc(OCc3ccccc3)c2)cc1 256017201 GJXGXSOLGKPDTL-UHFFFAOYSA-N 478.592 6.121 50 10 JKGE Cl[C@@H](c1cccc(OCc2ccccc2)c1)c1cc(Br)ccc1Br 310154046 NWXARIHULDBKKS-FQEVSTJZSA-N 466.600 7.119 50 10 JKGE C[C@@H](CN(C)Cc1ccccc1)n1c([C@@H](C)Cl)nc2cc(I)c(F)cc21 311413300 CPJYYCSDSDOFGI-UONOGXRCSA-N 485.772 5.773 50 10 JKGE N#Cc1ccc(COc2c(Br)cc(Br)cc2CBr)cc1 312627860 IHXDHHLBQDGPEA-UHFFFAOYSA-N 459.963 5.557 50 10 JKGE COc1ccc([C@H](Br)c2coc(Br)c2)c(OC)c1Br 378908869 IBLATNNGWFGPDT-LLVKDONJSA-N 454.940 5.306 50 10 JKGE COc1c(Br)cc(Br)cc1/C=C(\CBr)C1CCCCC1 379601953 VLSGFXDMSAVBFA-NTUHNPAUSA-N 467.039 6.579 50 10 JKGE C[C@H](Cl)c1nc2cc(I)ccc2n1CCN(C)Cc1ccccc1 386937418 VACFZHLCJIMREV-AWEZNQCLSA-N 453.755 5.073 50 10 JKGE ClCc1cc(Br)cc(Br)c1OCc1c(Cl)cccc1Cl 394262750 KNLRNCPPEMXQAD-UHFFFAOYSA-N 459.392 6.836 50 10 JKGE CC(C)CCCCCOc1c(Br)cc(Br)cc1CBr 394739507 LQAJLOIEUVSPQB-UHFFFAOYSA-N 457.044 6.702 50 10 JKGE Cc1ccc(Br)c([C@@H](Br)c2c(Br)cc(F)c(F)c2F)c1 398746115 UUBPRZBWAKMTHB-GFCCVEGCSA-N 472.924 6.422 50 10 JKGE CC[C@@H](CC(F)(F)F)[C@H](Br)c1cc(Br)c(Br)s1 402630777 MJZGZXDLDMRXSL-XNCJUZBTSA-N 458.963 6.688 50 10 JKGE Clc1sc([C@@H](Br)c2nscc2Br)cc1Br 404722932 VXICYDFNHPXNSS-ZCFIWIBFSA-N 452.418 5.867 50 10 JKGE Cc1cc(C)c([C@@H](Br)c2nscc2Br)c(C)c1Br 404756530 BPXYZZNAESUSBA-GFCCVEGCSA-N 454.025 6.078 50 10 JKGE CCCCCc1cc2c(c(O[Si](C)(C)C(C)(C)C)c1)[C@H]1C=C(C(=O)OCC)CC[C@H]1C(C)(C)O2 504231622 HFGATAWDKZPRPB-XZOQPEGZSA-N 486.769 7.957 50 10 JKGE in-vitro COc1ccc(Cl)cc1[C@@H](Br)c1scc(Br)c1Br 705440267 XDFVWBJIJHXTKO-SNVBAGLBSA-N 475.427 6.419 50 10 JKGE COC[C@@H](COc1c(Br)cc(CBr)cc1Br)C(C)C 721971643 IZNVFZITCHCKPX-NSHDSACASA-N 459.016 5.404 50 10 JKGE CSc1ccc(C=NNC(=O)c2ccccc2NC(=O)c2ccc(Cl)c(Cl)c2)cc1 725274304 QUQOHOVXLWTITK-UHFFFAOYSA-N 458.370 5.732 50 10 JKGE Cc1c(Cl)cccc1-n1c(C)cc(/C=C(\C#N)C(=O)N2CCN(c3ccccc3)CC2)c1C 1083998432 AATAQDYESZLIOE-HAVVHWLPSA-N 458.993 5.312 50 10 JKGE Cc1ccc(C)c(NC(=O)/C(C#N)=C\c2cc(Br)ccc2OCc2ccccc2)c1 1084317110 HENWHYCXFDUQJX-BKUYFWCQSA-N 461.359 6.191 50 10 JKGE CN(C)C(=O)/C(C#N)=C/c1cc(Cl)c(OCc2cccc3ccccc23)c(Br)c1 1084334346 IKLHBPZMGOXGEG-VCHYOVAHSA-N 469.766 5.830 50 10 JKGE CCOc1cc(C=NNC(=O)c2ccc(Cl)cc2)ccc1OCc1cccc2ccccc12 1084372571 GSZSNLHKVAZLLY-UHFFFAOYSA-N 458.945 6.235 50 10 JKGE O=C(NN=C(CSc1nc2ccccc2s1)c1ccc2ccccc2c1)c1cccc([N+](=O)[O-])c1 1084536870 IWFVGSXTYUKQEW-UHFFFAOYSA-N 498.589 6.284 50 10 JKGE Cc1ccc(-n2c(SCC(=O)NN=C3C[C@H]4CC[C@@]3(C)C4(C)C)nnc2-c2ccncc2)cc1 1087451347 HJJFZQUHGMANQV-NIYFSFCBSA-N 474.634 5.048 50 10 JKGE N#Cc1ccc(C[P+](c2cccc(Cl)c2)(c2cccc(Cl)c2)c2cccc(Cl)c2)cc1 1615947015 GYNILAJORAGDAV-UHFFFAOYSA-N 481.770 7.013 50 10 JKGE CCOC(=O)c1ccc(NC(=O)c2oc3c(c2C)C(=NNC(=O)c2cccc(Cl)c2)CCC3)cc1 1772746026 ODLYCPXASYFDQO-UHFFFAOYSA-N 493.947 5.141 50 10 JKGE Cc1ccc(NC(=O)c2oc3c(c2C)C(=NNC(=O)c2ccc(Cl)cc2Cl)CCC3)cc1C 1772746951 BQZYUCFCIJLCKL-UHFFFAOYSA-N 484.383 6.234 50 10 JKGE Cc1c(C(=O)Nc2ccc(F)cc2F)oc2c1C(=NNC(=O)c1ccc(-c3ccccc3)cc1)CCC2 1772748417 XCKSIZORSPZKIH-UHFFFAOYSA-N 499.517 6.256 50 10 JKGE N#CC1=C(N)Oc2c(c(C(F)(F)F)nn2Cc2ccc(Cl)c(Cl)c2)[C@@H]1c1ccc(Cl)cc1 1865682963 BUDYVIGKRLZOTF-MRXNPFEDSA-N 499.707 6.129 50 10 JKGE Cc1nn(Cc2ccc(Cl)c(Cl)c2)c2c1[C@@H](c1cccc(Br)c1)C(C#N)=C(N)O2 1865683594 FTELODWCJSGENG-IBGZPJMESA-N 490.188 5.527 50 10 JKGE N#CC1=C(N)Oc2c(c(-c3ccccc3)nn2-c2cccc3ccccc23)[C@@H]1c1ccc(O)cc1 1865683608 GCZCYFWBBZBINH-RUZDIDTESA-N 456.505 5.616 50 10 JKGE N#CC1=C(N)Oc2c(c(C(F)(F)F)nn2Cc2ccccc2)[C@H]1c1c(Cl)cccc1Cl 1865685363 HLXZVUYHFLPXGJ-OAHLLOKOSA-N 465.262 5.475 50 10 JKGE CCCCOc1ccc([C@@H]2C(C#N)=C(N)Oc3c2c(CCC)nn3Cc2c(F)cccc2Cl)cc1 1865693749 YCFLZZUMAYUDRZ-XMMPIXPASA-N 494.998 6.073 50 10 JKGE COc1cccc([C@@H]2C(C#N)=C(N)Oc3c2c(-c2ccccc2)nn3-c2cccc(Cl)c2)c1OC 1865701472 WJLHRPIKJPMHGS-JOCHJYFZSA-N 484.943 5.428 50 10 JKGE N#CC1=C(N)Oc2c(c(C(F)(F)F)nn2-c2ccc(Cl)c(Cl)c2)[C@H]1c1ccccc1O 1865707658 CJRIKYTWEYRREX-HNNXBMFYSA-N 467.234 5.122 50 10 JKGE Cc1cccc([C@@H]2C(C#N)=C(N)Oc3c2c(-c2ccccc2)nn3-c2cccc3ccccc23)c1 1865711266 UMEBMGHJBDDZNZ-AREMUKBSSA-N 454.533 6.219 50 10 JKGE CSCc1ccc(C(=O)NNC(=O)c2ccc(-c3ccc(Cl)cc3Cl)nc2C)cc1 1865759854 VQOUHWUFEVNXAX-UHFFFAOYSA-N 460.386 5.302 50 10 JKGE Cc1ccc(-c2ccc(C(=O)N/N=C\c3cc(Cl)cc(Br)c3O)c(C)n2)cc1 1865761349 JRNOXHLHUOUECP-MYKKPKGFSA-N 458.743 5.251 50 10 JKGE COC(=O)c1c(NC(=O)/C(C#N)=C/c2cccc(Cl)c2)sc2c1CC[C@H](C(C)(C)C)C2 1866129865 PZTQSNOOZGDAAJ-KMPOOHAWSA-N 456.995 5.885 50 10 JKGE Cc1ccc(-c2nc(Nc3ccc(SC#N)cc3)cc(N3CCc4ccccc4[C@H]3C(C)C)n2)cc1 1868321108 VTRNBSKMFFORNA-GDLZYMKVSA-N 491.664 7.529 50 10 JKGE N#C/C(=C\c1ccc(OCc2c(Cl)cccc2Cl)cc1)c1cc2c(cc1[N+](=O)[O-])OCCO2 1872728609 LFTIVAAURRSTEH-MHWRWJLKSA-N 483.307 6.316 50 10 JKGE N#C/C(=C(/O)c1ccc(Cl)c([N+](=O)[O-])c1)c1nc(-c2ccc(Cl)cc2Cl)cs1 1872744845 KYGKJUFIAKDXDO-ATVHPVEESA-N 452.706 6.628 50 10 JKGE CC[C@@H](C)[C@@H](/C(O)=C(\C#N)c1nc(-c2ccc3c(c2)CCCC3)cs1)N1C(=O)c2ccccc2C1=O 1872745358 JOHJLASJSPPJNH-KBIIDJLVSA-N 497.620 6.192 50 10 JKGE CSCC[C@@H](/C(O)=C(\C#N)c1nc(-c2ccccc2Cl)cs1)N1C(=O)c2ccccc2C1=O 1872745917 JUPXCXNLGCOIAK-HOJYTFPLSA-N 496.013 5.674 50 10 JKGE CC(C)(C)c1ccc(OCCC/C(O)=C(\C#N)c2nc(-c3ccccc3)cs2)c(Br)c1 1872747547 ICVOPLNSFJDUGG-QOCHGBHMSA-N 497.458 7.522 50 10 JKGE Cc1cc(C)c(C)c(-c2csc(/C(C#N)=C(\O)[C@@H](C(C)C)N3C(=O)c4ccccc4C3=O)n2)c1C 1872754259 KIPMIJNYTOVOEG-VHBBHFJJSA-N 485.609 6.157 50 10 JKGE N#C/C(=C(/O)CCCN1C(=O)c2ccccc2C1=O)c1nc(-c2cc(Cl)ccc2Cl)cs1 1872758427 ZKNYGSNJDWZGOQ-JZJYNLBNSA-N 484.364 5.986 50 10 JKGE CCCCCOc1ccc(/C=C(\C#N)c2nc(-c3ccc(Oc4ccccc4)cc3)cs2)cc1 1872793356 WCMDOKWFUFJQKV-LYBHJNIJSA-N 466.606 8.236 50 10 JKGE CC(C)[C@@H](CBr)N(Cc1ccccc1)c1ccccc1S(=O)(=O)C(F)(F)F 1915322778 NQRGGKUXUIKFNS-QGZVFWFLSA-N 464.347 5.406 50 10 JKGE C[C@@H]([C@@H](Cl)c1c(Br)sc(Br)c1Br)C(C)(F)F 1924579159 ASLDKXHSIRTVPX-BBIVZNJYSA-N 461.391 6.607 50 10 JKGE Cc1cc([C@@H](Br)c2c(Br)sc(C)c2C)sc1Br 1951013894 BEYRXUJHZAAOFB-SNVBAGLBSA-N 459.066 6.744 50 10 JKGE Cc1c([C@@H](Br)c2cc(Cl)c(Br)s2)c(Br)nn1C 2014559533 AWYXNIYEMRCQPT-QMMMGPOBSA-N 463.420 5.453 50 10 JKGE Cl[C@H](c1c(Br)sc(Br)c1Br)C12CC(CCO1)C2 2019894719 LDTBVKHMIGGTSS-GBZMYTLWSA-N 465.432 5.885 50 10 JKGE C[C@@]1([C@@H](Cl)c2c(Br)sc(Br)c2Br)CCCCO1 2021893445 LHZZNNZJOVJHDW-KWQFWETISA-N 467.448 6.275 50 10 JKGE CCc1cc(Br)c([C@H](Br)c2cn(CC)c(Br)n2)s1 2029232211 GAHAHUINLLPRCF-SNVBAGLBSA-N 457.029 5.536 50 10 JKGE CC(C)(C)[C@H](CBr)CNC(=O)c1cc(Br)sc1Br 2029719946 MFBMAEBIDBBEEH-SSDOTTSWSA-N 462.045 5.060 50 10 JKGE COc1cc(Br)c(C)cc1[C@@H](Cl)c1cc(I)sn1 2056493708 MFGCQJNLXULDDH-GFCCVEGCSA-N 458.546 5.155 50 10 JKGE Brc1ccc(I)cc1[C@H](Br)c1ncn2ccsc12 2083984617 CEZZVLSUJMTGOM-JTQLQIEISA-N 497.981 5.247 50 10 JKGE Cc1cc([C@@H](Br)c2cccc(Br)c2Br)c(C)cc1Cl 2092328576 MXBOOFKYDCETGH-AWEZNQCLSA-N 467.426 6.966 50 10 JKGE Cc1cc(Br)c(CBr)c(N2C[C@@H]3CN(Cc4ccccc4)C[C@]3(C)C2)c1 2116803573 HGRBVZGKSIVOFQ-PGRDOPGGSA-N 478.272 5.611 50 10 JKGE COC[C@@H]1CC[C@H](Cc2ccc(Br)cc2Br)C[C@H]1Br 2127210120 KISDBJIDQPZCOQ-SCDSUCTJSA-N 455.028 5.580 50 10 JKGE Cc1c(Cl)cc([C@H](Cl)c2ccc(Br)cc2Br)cc1Br 2138852620 SZLUQHOPKYZZJV-AWEZNQCLSA-N 487.844 7.264 50 10 JKGE Clc1ccc(CC(CBr)(CBr)c2ccccc2)c(Br)c1 2144789511 WXQFKAJUSPZVKT-UHFFFAOYSA-N 481.453 6.373 50 10 JKGE Cc1cc(Br)cc(CBr)c1OCc1ccc(Cl)c(Br)c1 2166825017 BBUDVOLTJHZPGU-UHFFFAOYSA-N 483.425 6.647 50 10 JKGE Fc1cc(Br)cc(N2CC[C@@H]3[C@@H](CCCN3Cc3ccccc3)C2)c1CBr 2170697189 PJJHGEKWWOTUTR-LAUBAEHRSA-N 496.262 5.974 50 10 JKGE CC(C)[C@H](C)N(Cc1ccccc1)S(=O)(=O)c1ccc(OCCCBr)cc1 2179829212 YIDWCUKGUNCAPW-SFHVURJKSA-N 454.430 5.086 50 10 JKGE FC(F)(F)[C@@H]1C[C@H]1C[C@H](Br)c1cc(I)cc2c1OCC2 2185214676 VNTDSLNKSQZCPF-AXTRIDKLSA-N 461.059 5.251 50 10 JKGE CCc1nn(C)c([C@@H](Br)c2cc(F)c(Br)cc2F)c1Br 2192385792 XPXXEYNUWAEFNJ-NSHDSACASA-N 472.953 5.270 50 10 JKGE CCOc1cc(Br)c([C@H](Br)[C@H]2C[C@@H](Br)C2)cc1OCC 2196897412 YDVLYFCHVQHPQH-HFBDOXOYSA-N 471.027 5.856 50 10 JKGE Cc1cc(Br)c([C@H](Br)[C@H]2C[C@H]2C2CCOCC2)cc1Br 2200002143 RSEJTPAHSBYBHG-MQIPJXDCSA-N 467.039 6.019 50 10 JKGE Fc1cc(Br)c([C@@H](Cl)c2cccc(Br)c2Cl)c(F)c1Cl 2201610706 JJKUJRCSFPYPBD-NSHDSACASA-N 465.346 7.125 50 10 JKGE FC1(F)C[C@]12CCC[C@H]([C@@H](Br)c1ccc(Br)cc1Br)C2 2203690695 FGPTXLSIESOQQA-CUOATXAZSA-N 472.993 6.863 50 10 JKGE Cc1sc(Br)c(C)c1[C@@H](Cl)c1cc(Br)sc1Br 2213636215 KQDZXWFZUBRSLK-VIFPVBQESA-N 479.484 7.042 50 10 JKGE Cn1cc(Cl)c([C@@H](Br)c2cc(Br)c(Br)cc2F)n1 2218598768 WOKPAAJHLIVKNC-JTQLQIEISA-N 461.354 5.222 50 10 JKGE COc1cc(Br)c([C@@H](Br)c2csnc2Br)cc1C 2220452891 XNURIRTYLSPVGP-LLVKDONJSA-N 455.997 5.469 50 10 JKGE Cc1cc(Br)c([C@H](Br)C[C@@H]2OCC[C@H]2C)c(C)c1Br 2227347069 GRDXDMWJLNPWNI-WQHBLYJGSA-N 455.028 6.080 50 10 JKGE Cc1cc(Br)c([C@@H](Br)c2cc(Br)c3c(c2)CCO3)s1 2229329696 MITZEGCJJHMAQO-LBPRGKRZSA-N 467.020 6.001 50 10 JKGE Cn1nc([C@H](Cl)c2c(Br)cc(Cl)c(Cl)c2Cl)c(Cl)c1Cl 2232518752 FZZAWSPDAMNFNX-MRVPVSSYSA-N 457.797 6.778 50 10 JKGE ClCc1nc2cncc(Cl)c2n1-c1ccc(Br)cc1I 2240005745 FIAWFHQJXIRVCA-UHFFFAOYSA-N 482.934 5.180 50 10 JKGE CC(C)c1cc(Br)cc(C(=O)N(Cc2ccccc2)[C@@H](C)CCBr)c1 2254762599 XNEHVVMXANBVDX-INIZCTEOSA-N 467.245 6.388 50 10 JKGE FC1(F)C[C@H]([C@H](Br)c2cc(Br)sc2Br)C12CCC2 2254867384 PINAKTHDIMGVOH-VXNVDRBHSA-N 464.995 6.535 50 10 JKGE CN(Cc1ccc(I)cc1)c1ccc(CBr)cc1Br 2265602820 LJRJCIMEENOVKG-UHFFFAOYSA-N 494.996 5.585 50 10 JKGE BrCc1cc(Br)cc(Br)c1OC[C@@]12CCC[C@@H]1CC2 2273400709 LQPFEPIGBLDVML-ABAIWWIYSA-N 453.012 6.066 50 10 JKGE CCc1ccc([C@@H](Br)c2ccc(Cl)c(I)c2)cc1CC 2283574664 PZICMLDBTRUWSZ-QGZVFWFLSA-N 463.584 6.554 50 10 JKGE C=CCOc1ccc(Cl)cc1C=C(C#N)C(=O)Nc1ncc(Cc2ccc(Cl)cc2)s1 2293038542 KJWWXWCWLUEOSD-UHFFFAOYSA-N 470.381 6.151 50 10 JKGE C[C@@H](CC(C)(C)C)[C@@H](Br)c1ccc(OCc2ccccc2)cc1Br 2299502966 AXKNSWTZBYEIME-MGPUTAFESA-N 454.246 7.536 50 10 JKGE N#CC(=Cc1cc(Br)ccc1OCc1ccccc1)C(=O)Nc1cccc([N+](=O)[O-])c1 2313676548 BIKWUMQVWBEPDI-UHFFFAOYSA-N 478.302 5.482 50 10 JKGE CC1CC2(C1)CC([C@@H](Br)c1cc(Br)ccc1OCc1ccccc1)C2 2314495022 NMRPQYPMTZVZOK-UHBXYOEBSA-N 464.241 7.290 50 10 JKGE CCc1ccc(C[C@H]2SC(=C(C#N)C(=O)Nc3ccccc3)N(c3ccc(C)c(C)c3)C2=O)cc1 2314592011 JQIXQXKKOPANMB-AREMUKBSSA-N 481.621 5.931 50 10 JKGE CC1=C(C#N)C(=O)N(Cc2ccccc2)C(=O)C1=Cc1ccc(-c2ccc(Br)cc2)o1 2314611081 QAWYANHMYVVBHQ-UHFFFAOYSA-N 473.326 5.502 50 10 JKGE Cc1ccc(C=CC(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@H]3c2cccc3ccccc23)cc1 2314634628 PTASIMXPVIUBMG-LJAQVGFWSA-N 458.517 5.985 50 10 JKGE C=CCOc1cccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)C=Cc4ccc(C)cc4)ccc32)c1 2314634753 GOTLWMXHTQKSGR-MUUNZHRXSA-N 464.521 5.397 50 10 JKGE C[C@H]([C@H](Br)c1c(Cl)cc(Br)c(F)c1Br)C(C)(F)F 2315458616 ORBOVROUNQCAMK-VHWMUFPASA-N 473.352 6.731 50 10 JKGE Cn1cnc(Br)c1[C@@H](Br)c1cc2sc(Br)cc2s1 2315627696 QESBCLLVHFQLEB-VIFPVBQESA-N 471.037 5.706 50 10 JKGE CCCc1sc(Br)cc1[C@@H](Br)c1cc(Br)sc1C 2316174212 XIQMIXSBCAISNN-ZDUSSCGKSA-N 473.093 7.080 50 10 JKGE CCOc1cc(C=NNC(=O)Cc2cc(Cl)ccc2SC)cc(Cl)c1OC(C)C 2323686478 DJTXYWBHFFAGNE-UHFFFAOYSA-N 455.407 5.594 50 10 JKGE ClC[C@@H](NCc1ccc(I)c(Br)c1)c1cccs1 2325231176 SIZFKUDRUXOOQA-GFCCVEGCSA-N 456.574 5.185 50 10 JKGE Cc1c(Br)sc([C@@H](Br)[C@@H]2CC[C@H]3[C@@H](C2)C3(F)F)c1Br 2329706094 KQRMUXUQZDXWDT-JIOCBJNQSA-N 479.022 6.699 50 10 JKGE Cc1ccc2c(c1)nc(C(C#N)=Cc1ccc(-n3nc(-c4ccccc4)cc3-c3ccccc3)cc1)n2C 2331019404 RQNDWKQEGRWANG-UHFFFAOYSA-N 491.598 7.466 50 10 JKGE COCCOc1ccc(C=C(C#N)C(=O)Nc2sc3c(c2C(=O)OC)CC[C@@H](C(C)(C)C)C3)cc1 2331123724 LKEDEVKSLQQFDQ-LJQANCHMSA-N 496.629 5.257 50 10 JKGE COc1cccc(-c2csc(C(C#N)=C(O)c3ccccc3I)n2)c1 2331249147 VTOGXWPAPPLVPT-UHFFFAOYSA-N 460.296 5.373 50 10 JKGE CCCCc1ccc(-c2csc(C(C#N)=C(O)CCc3ccc(OCC)c(OC)c3)n2)cc1 2331259498 NRDMWJYGMSYPCF-UHFFFAOYSA-N 462.615 6.985 50 10 JKGE Cc1ccc(-c2csc(C(C#N)=C(O)CCCOc3cc(C)c(Cl)c(C)c3)n2)c(C)c1 2331311053 JMTAXJZLCUXCRJ-UHFFFAOYSA-N 453.007 7.349 50 10 JKGE C[C@@H](Oc1ccc(Cl)cc1Br)C(O)=C(C#N)c1nc(-c2cccs2)cs1 2331326516 DWCHTZVIGVDYDC-SNVBAGLBSA-N 467.797 6.548 50 10 JKGE CC[C@H](C)[C@@H](C(O)=C(C#N)c1nc(-c2ccc(F)c(F)c2)cs1)N1C(=O)c2ccccc2C1=O 2331352412 SDSDXENRFPMQCB-ZSEKCTLFSA-N 479.508 5.592 50 10 JKGE COc1c(Cl)cc(Cl)cc1-c1csc(C(C#N)=C(O)CNC(=O)c2ccc(Cl)cc2)n1 2331362564 BATMIMJMOQTSNI-UHFFFAOYSA-N 494.787 6.002 50 10 JKGE CC[C@H](C)[C@H](C(O)=C(C#N)c1nc(-c2c(C)c(C)cc(C)c2C)cs1)N1C(=O)c2ccccc2C1=O 2331366472 YHMFVXVYKXNGQB-ODCWNRFASA-N 499.636 6.547 50 10 JKGE CCOc1ccc(OCC)c(-c2csc(C(C#N)=C(O)Cc3ccccc3[N+](=O)[O-])n2)c1 2331376213 NXVAAWLPFDJYSO-UHFFFAOYSA-N 451.504 5.551 50 10 JKGE COc1cc(OC)c(-c2csc(C(C#N)=C(O)C=Cc3ccc([N+](=O)[O-])cc3)n2)cc1Cl 2331381084 HEHBOBAMNUXDKN-UHFFFAOYSA-N 469.906 5.895 50 10 JKGE COc1ccc(-c2csc(C(C#N)=C(O)C=Cc3cccc([N+](=O)[O-])c3)n2)c(OC)c1OC 2331412630 QPAGLJMWQXZDTQ-UHFFFAOYSA-N 465.487 5.250 50 10 JKGE CCCOc1ccc(C=C(C#N)c2nc(-c3ccc(OCCC)c(OCCC)c3)cs2)cc1 2331438066 XTRSRYAOTPZTJU-UHFFFAOYSA-N 462.615 7.241 50 10 JKGE COc1cc(C=C(C#N)c2nc(-c3cccc(Cl)c3)cs2)ccc1OCCCc1ccccc1 2331439786 MARRWOFJEVGDML-UHFFFAOYSA-N 487.024 7.548 50 10 JKGE Brc1ccc(OCc2ccccc2)c([C@@H](Br)C2C[C@H]3COC[C@H](C2)C3)c1 2336041370 NKQWNHYZWPWYIG-HOIFWPIMSA-N 480.240 6.527 50 10 JKGE COc1cc([C@@H](Br)c2cc(Br)ccc2OCc2ccccc2)ccc1C 2336047680 NRJMCHYCMDPGDS-JOCHJYFZSA-N 476.208 6.829 50 10 JKGE Brc1ccc(OCc2ccccc2)c([C@@H](Br)[C@@H]2CCn3ccnc3C2)c1 2336057903 WFBXEHRFPGYXMD-IERDGZPVSA-N 476.212 5.923 50 10 JKGE Brc1ccc(OCc2ccccc2)c([C@H](Br)c2ccc3c(c2)COC3)c1 2336075198 NAYHUDHLBAYWSR-JOCHJYFZSA-N 474.192 6.543 50 10 JKGE CO[C@@H]1CC[C@@H]1C[C@H](Br)c1c(Cl)cc(Br)c(F)c1Br 2337098695 RQDMBOSCHIAWRO-MATHAZKKSA-N 479.409 6.255 50 10 JKGE Fc1cc(CBr)c(Oc2ccc(Br)cc2Br)cc1Cl 2337296005 GMBKVOVQBOCLAX-UHFFFAOYSA-N 473.361 6.691 50 10 JKGE CCCc1sc(Br)cc1[C@H](Br)c1cc(F)ccc1Br 2338023324 FUHBFSCZKCXIRN-CQSZACIVSA-N 471.027 6.849 50 10 JKGE CCCc1sc(Br)cc1[C@H](Br)c1ccc(Br)c(C)c1 2338023743 LAUBXKOFMNTVTR-OAHLLOKOSA-N 467.064 7.018 50 10 JKGE CCCc1sc(Br)cc1[C@H](Cl)c1ccc(Br)cc1Br 2338027462 WKMJGYMBVZAXKG-CQSZACIVSA-N 487.482 7.316 50 10 JKGE Cl[C@@H](c1c(Br)sc(Br)c1Br)[C@@H]1C[C@H]2CCC[C@H]1CC2 2338741072 KYUWTNSQIUUGIX-APOZVJGGSA-N 491.514 7.532 50 10 JKGE Cc1cc(Br)c(F)c(Br)c1[C@@H](Cl)c1ccccc1OCc1ccccc1 2339655528 ZRXKHSOITMEIAP-FQEVSTJZSA-N 498.617 7.566 50 10 JKGE COc1c(Br)cc(C)c([C@H](Br)C2(C3CC3)CC2)c1Br 2339656341 MZBDDAMJUGIQGX-AWEZNQCLSA-N 453.012 6.155 50 10 JKGE ClCc1nc(OCc2c(Br)cccc2Br)ncc1Br 2340579267 CXNAIXKDHQDTBF-UHFFFAOYSA-N 471.374 5.082 50 10 JKGE Cc1ccc(CCl)c(OCc2cc(I)ccc2Br)c1 2341777980 AAPKXRSOBPJUCT-UHFFFAOYSA-N 451.529 5.680 50 10 JKGE Cc1cc(C)c([C@@H](Br)c2csc(C)c2Br)c(C)c1Br 2343552152 FOEPRWLQJGVCQJ-HNNXBMFYSA-N 467.064 6.991 50 10 JKGE Clc1cc(Br)c([C@H](Br)[C@@H]2CC[C@@H]3C[C@H]2CO3)c(Cl)c1Cl 2359122571 CAKBHQMVRFBAGA-HIHLCYOISA-N 463.424 6.660 50 10 JKGE Cc1ccc(Cl)c([C@@H](Br)c2c(F)cc(Cl)c(Br)c2Cl)c1 2360481722 PGICCQFCQWZVAI-GFCCVEGCSA-N 461.383 7.341 50 10 JKGE CC12CC([C@H](Br)c3c(Cl)cc(Br)c(F)c3Br)(CCO1)C2 2362238545 VYJVAVKHCYECOX-IYXRBSQSSA-N 491.420 6.399 50 10 JKGE Cc1cc(Br)c(F)c(Br)c1[C@H](Br)[C@@H]1OC[C@@H]2CCC[C@@H]21 2365180900 UEYNMDHJABZEOM-FBPQKSLZSA-N 471.002 5.910 50 10 JKGE CC[C@@]1([C@@H](Br)c2c(C)cc(Br)c(OC)c2Br)CCCO1 2365183116 GNMGKMCUVKUCRG-GJZGRUSLSA-N 471.027 5.924 50 10 JKGE COc1c(Br)cc(C)c([C@H](Br)[C@H]2[C@H]3CCCC[C@H]32)c1Br 2365215456 KGWQGGPKJBQSCU-DJBIQUGXSA-N 467.039 6.401 50 10 JKGE C[C@@H](Br)c1ccccc1NC(=O)c1ccc(Cl)cc1I 2365594395 ZUMBWOSHONOSFD-SECBINFHSA-N 464.528 5.653 50 10 JKGE CCOc1cccc(Oc2cc(Br)cc(I)c2)c1CCl 2367548756 VLJUZNUZWIICIO-UHFFFAOYSA-N 467.528 5.984 50 10 JKGE CCN(C[C@](C)(CI)O[C@H]1CCCCC12CCOCC2)C(=O)OC(C)(C)C 2368372719 UQDRNPRCUBFYGF-PXNSSMCTSA-N 495.442 5.193 50 10 JKGE CC(C)(C)[C@@H]1CC[C@@H]1CO[C@H](CI)c1cccc(Br)c1 2369175031 FZSBTXRPJPWCID-FVQBIDKESA-N 451.186 6.014 50 10 JKGE Clc1ccc(I)cc1CN1C[C@@H](CBr)C2(CCCC2)C1 2380512620 NONBWCIREWBKFX-CYBMUJFWSA-N 468.604 5.332 50 10 JKGE Cc1cccc(C)c1NS(=O)(=O)c1ccc(NC(=O)/C(C#N)=C\c2ccccc2Cl)cc1 4520841 HUVYHEDLTFIQSO-RGEXLXHISA-N 465.962 5.303 50 10 JKGE O=C(COc1ccc2cc(Br)ccc2c1Br)N/N=C/Cc1ccccc1 14015390 LMLCBHAWSPVTTJ-FOKLQQMPSA-N 476.168 5.088 50 10 JKGE CC[C@H](C)c1ccc(OCC(=O)NNC(=O)[C@H](C)Oc2ccc3ccccc3c2)c(Br)c1 14832357 GBRPKVRTVAIGKQ-IRXDYDNUSA-N 499.405 5.110 50 10 JKGE N#C/C(C(=O)NN=Cc1ccc(-c2ccccc2)cc1)=C1/C[C@@H](c2ccccc2)c2ccccc21 15777560 GPTFVRJDPXLHPB-UOPQPANXSA-N 453.545 6.317 50 10 JKGE Cc1cc(C)c(N/C(SCc2cccc(F)c2)=C(/C#N)S(=O)(=O)c2ccccc2)c(C)c1 20325723 DNGNQBNBBDVLQL-WJTDDFOZSA-N 466.603 6.263 50 10 JKGE CC(C)Oc1ccc(-c2nn(-c3ccccc3)cc2/C=C(\C#N)c2nc(O)c3ccccc3n2)cc1 22748767 RUADPVSMIUVZNL-LTGZKZEYSA-N 473.536 6.039 50 10 JKGE CCc1ccc(OCC(=O)Oc2ccc(/C=C(/C#N)c3ccc(OC)c(OC)c3)cc2OC)cc1 31902083 RSPAWJYLRPKDEZ-HMAPJEAMSA-N 473.525 5.323 50 10 JKGE Cc1ccc(Cc2cnc(NC(=O)/C(C#N)=C\c3ccc(-c4ccc(Cl)cc4)o3)s2)cc1Cl 33339803 SSYJLHUFSQNQFP-PDGQHHTCSA-N 494.403 7.155 50 10 JKGE CCc1ccc(OCC(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@@H]3c2ccc(Cl)cc2Cl)cc1 38655563 LMHGZTKSDHTUSH-RUZDIDTESA-N 495.362 5.758 50 10 JKGE COc1ccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4oc5ccc(F)cc5c4C)ccc32)cc1 40530334 FLAQZBFGTQFHTC-DEOSSOPVSA-N 470.456 5.326 50 10 JKGE Cc1c(C(=O)Oc2cccc3cccnc23)oc2c1/C(=N/NC(=O)c1ccc(Cl)cc1)CCC2 40811697 PWEONKKLAZVANP-VUTHCHCSSA-N 473.916 5.479 50 10 JKGE COc1ccc2ccccc2c1/C=N/NC(=O)CCCOc1ccc(C)cc1Br 40951295 KTQQABBRJHBMKE-MFKUBSTISA-N 455.352 5.229 50 10 JKGE CCOc1ccc([C@@H](O)CCC(=O)N/N=C\c2ccc(OCc3ccccc3Cl)c(OC)c2)cc1 58893980 GEXSOKNDUAQADM-WYDFGVIMSA-N 496.991 5.290 50 10 JKGE COc1c(Cl)cc(Cl)cc1/C=N/NC(=O)CN(Cc1ccccc1)Cc1ccccc1 59148570 FEBOSUAHMGAUEP-MZJWZYIUSA-N 456.373 5.155 50 10 JKGE Cc1ccc(-c2ccccc2)n1-c1ccc(C(=O)N/N=C/c2ccc(OCc3ccccc3)cc2)cc1 59680375 JICQSWPQMBBEGJ-STKMKYKTSA-N 485.587 6.796 50 10 JKGE CC(=O)[C@@H](Br)[C@@H](C)c1c(Br)cc(Br)cc1Br 84398441 NNJGNZCWQCGPMD-DYEAUMGKSA-N 477.816 5.430 50 10 JKGE Fc1cc(Br)c(Cl)cc1[C@@H](Br)Cc1ccc(Cl)c(Cl)c1 97895741 KBAUUHLTPCFIES-VIFPVBQESA-N 461.383 7.227 50 10 JKGE Fc1cc(Br)c(Cl)cc1[C@H](Br)c1c(F)cccc1Br 97896004 BJYWERJCKRABSJ-ZDUSSCGKSA-N 475.352 6.628 50 10 JKGE C[C@@H]1CCCC[C@@H]1NC(=O)[C@@H](c1ccccc1Cl)N(C(=O)CCl)c1ccc(Cl)cc1 97914405 FSIWTYUJPYINQH-UPKQVVFYSA-N 467.824 6.001 50 10 JKGE N#C/C(=C/Nc1ccccc1F)c1nc(-c2cc3cc(Br)ccc3oc2=O)cs1 100411325 BNASFSBRCTXQQQ-RAXLEYEMSA-N 468.307 5.795 50 10 JKGE COc1cc2c(cc1N/C=C(/C#N)c1nc(-c3ccc(C)c(C)c3)cs1)oc1ccccc12 102416154 LPQNHYJPIXUBFO-RGEXLXHISA-N 451.551 7.312 50 10 JKGE Cc1cc(Br)ccc1[C@H](Br)c1cc(Br)ccc1Br 104034307 HVXAFQPCIVPACH-AWEZNQCLSA-N 497.850 6.767 50 10 JKGE Fc1ccc([C@@H](Br)c2c(F)cc(Br)cc2F)cc1Br 122341806 WUMQPWOVVLIOBQ-CYBMUJFWSA-N 458.897 6.113 50 10 JKGE Cc1cc([C@@H](Br)c2cc(Br)c(C)cc2Br)ccc1F 128734000 IFGCRVDQAXMZFV-OAHLLOKOSA-N 450.971 6.452 50 10 JKGE CC(C)(C)c1ccccc1[C@@H](Br)c1cc(Br)ccc1Br 132886022 ZVFMMVZSVJZPEV-MRXNPFEDSA-N 461.035 6.993 50 10 JKGE Brc1ccccc1CO[C@@H](CI)c1ccccc1Br 162557376 JXCAZWPYYMBCJI-HNNXBMFYSA-N 495.980 5.905 50 10 JKGE Cc1ccc(COc2ccccc2/C=N/NC(=O)c2nn(-c3ccccc3)c3c2CCC3)cc1 169927589 WZSGOMOMYVWPFN-RDRPBHBLSA-N 450.542 5.012 50 10 JKGE CCCCCCOc1ccc(/C=C(/C#N)C(=O)Nc2ccc([N+](=O)[O-])cc2OC)cc1OC 206238350 RIAPTVQYOWZMNI-AQTBWJFISA-N 453.495 5.117 50 10 JKGE CCOc1ccc(-c2nn(-c3ccccc3)cc2/C=C2\C(=O)N([C@@H](C)CC)C(=O)C(C#N)=C2C)cc1F 214256996 QIDWPVPRWKEGJF-PVFDWLMNSA-N 498.558 5.468 50 10 JKGE COCCOc1ccc([C@@H](Cl)c2ccccc2I)cc1Br 229012103 XOZVGHSGYPSBBQ-MRXNPFEDSA-N 481.555 5.407 50 10 JKGE Cc1cc(Br)c([C@@H](Br)C[C@@H]2C[C@H]3CC[C@H]2C3)cc1Br 251063794 IBVYNMLQTXXBNC-YWDSYVAPSA-N 451.040 6.782 50 10 JKGE CCCCCCCCCCC(=O)NN=C(C)c1cccc(NC(=O)c2ccc(Cl)cc2Cl)c1 252601202 DXSLGFCGBHGXNE-UHFFFAOYSA-N 490.475 7.617 50 10 JKGE COc1ccc(-c2cc(C(=O)NN=C(C)c3ccc(Cl)s3)c3ccccc3n2)c(OC)c1 252602944 FMRZNGUTKGGXAB-UHFFFAOYSA-N 465.962 5.788 50 10 JKGE CC(=NNC(=O)c1cc(-c2ccc(Cl)cc2)nc2ccccc12)C12CC3CC(CC(C3)C1)C2 252614692 JMDBHEYQWJOVNS-UHFFFAOYSA-N 458.005 6.877 50 10 JKGE Cc1ccc(COc2ccc(C=NNC(=O)c3ccc(NS(=O)(=O)c4ccccc4)cc3)cc2)cc1 254813402 KONUNVIYFCVEKZ-UHFFFAOYSA-N 499.592 5.139 50 10 JKGE COC(=O)[C@@H]1CN(Cc2ccccc2)C[C@@H]1c1cnc2cc(CO[Si](C)(C)C(C)(C)C)oc2c1 256008198 WACXTLNTNYCVSK-DHIUTWEWSA-N 480.681 5.738 50 10 JKGE CC(C)(C)SCCC(CBr)(CBr)c1cccc(Br)c1 305976110 DWKVGVOQOJQKSC-UHFFFAOYSA-N 473.112 6.399 50 10 JKGE C[C@H](Cl)c1nc2cc(I)ccc2n1C[C@@]1(C)CCN(Cc2ccccc2)C1 312570825 ZHXWXBKVDAWCJV-AOMKIAJQSA-N 493.820 5.853 50 10 JKGE Cc1ccc(CC(CBr)(CBr)C2CCCC2)cc1Br 313689816 IYSCVZNVKVBKCS-UHFFFAOYSA-N 453.056 6.266 50 10 JKGE Clc1ccc([C@H](Cl)c2cc(Cl)c(Cl)c(Cl)c2Cl)c(Br)c1 404873983 ODZCJOPZJCZJLG-JTQLQIEISA-N 453.805 8.044 50 10 JKGE Fc1ccc([C@H](Br)c2ccc(I)c(Cl)c2)c(F)c1Cl 689655899 ZFQFNTZLPKWRRZ-LLVKDONJSA-N 477.901 6.361 50 10 JKGE Cc1cc(Br)c([C@@H](Cl)c2ncsc2Br)cc1Br 698627979 XDZIMIYISPZHNJ-SECBINFHSA-N 460.416 6.067 50 10 JKGE C[C@@H](Cl)c1nc2ccc(C#N)cc2n1CC1(N(Cc2ccccc2)Cc2ccccc2)COC1 705612947 XMOHSZDHAOSEKR-OAQYLSRUSA-N 471.004 5.679 50 10 JKGE Cn1cc(CC(CBr)(CBr)C2CCCCCC2)c(Br)n1 714090624 ZECLOSDUCOVLJZ-UHFFFAOYSA-N 471.075 5.472 50 10 JKGE COc1ccc(Br)cc1[C@H](Cl)c1cccc(F)c1I 721691757 LWISPWGIETWZIY-CYBMUJFWSA-N 455.492 5.530 50 10 JKGE Cn1cc([C@@H](Br)c2ccc(Br)c3ccccc23)nc1Br 829354460 PZKBTZFBGYWGMZ-AWEZNQCLSA-N 458.979 5.583 50 10 JKGE COc1ccc(Br)cc1C=NNC(=O)C=C(Sc1ccccc1)Sc1ccccc1 1084234828 NKCRLBXJYMHKNR-UHFFFAOYSA-N 499.455 6.334 50 10 JKGE CCCCOc1ccc(C=NNC(=O)COc2ccc3c(c2Br)CCCC3)cc1 1084475732 BSICFHMUTGNLLT-UHFFFAOYSA-N 459.384 5.036 50 10 JKGE COc1c(Cl)cc(C=NNC(=O)c2ccc(-n3c(C)ccc3-c3ccccc3)cc2)cc1Cl 1084596650 SWVMZXFHSJSAFY-UHFFFAOYSA-N 478.379 6.532 50 10 JKGE Cc1ccc(C(=O)NN=C2CCCc3oc(C(=O)Nc4cccc(Cl)c4Cl)c(C)c32)cc1 1772745255 VZYZOZPRTVSFOA-UHFFFAOYSA-N 470.356 5.926 50 10 JKGE Cc1c(C(=O)NC2CCCCC2)oc2c1C(=NNC(=O)c1ccc(-c3ccccc3)cc1)CCC2 1772747191 LXMRWCQTELZDJI-UHFFFAOYSA-N 469.585 5.788 50 10 JKGE COc1cc(C=NNC(=O)COc2cc(Cl)ccc2Cl)ccc1OCc1ccccc1 1772752562 JWHSBDXTVDGNCM-UHFFFAOYSA-N 459.329 5.110 50 10 JKGE N#CC1=C(N)Oc2c(c(-c3ccccc3)nn2Cc2c(F)cccc2Cl)[C@@H]1c1ccccc1 1865680678 RTTJCTWYJHCOMC-JOCHJYFZSA-N 456.908 5.609 50 10 JKGE N#CC1=C(N)Oc2c(c(-c3ccccc3)nn2Cc2ccccc2F)[C@@H]1c1cccc(Cl)c1 1865683176 IAAVNUAVRABJRD-JOCHJYFZSA-N 456.908 5.609 50 10 JKGE CCOc1cccc([C@@H]2C(C#N)=C(N)Oc3c2c(-c2ccc(OC)cc2)nn3Cc2ccccc2)c1 1865690184 KXGXUDHFJAQLCD-RUZDIDTESA-N 478.552 5.224 50 10 JKGE CCCCOc1ccc([C@H]2C(C#N)=C(N)Oc3c2c(CCC)nn3Cc2cccc(Cl)c2)cc1 1865692701 OUDMNEOFRYYEFQ-DEOSSOPVSA-N 477.008 5.934 50 10 JKGE N#CC1=C(N)Oc2c(c(-c3ccccc3)nn2-c2ccccc2Cl)[C@@H]1c1ccc(F)cc1F 1865702343 TWRAXLJYAWUMEX-OAQYLSRUSA-N 460.871 5.689 50 10 JKGE Cc1ccccc1[C@H]1C(C#N)=C(N)Oc2c1c(-c1ccccc1)nn2-c1ccc(Cl)c(Cl)c1 1865713255 VADUKEPBXOYXFS-QFIPXVFZSA-N 473.363 6.373 50 10 JKGE COc1ccc2[nH]cc(/C=N\NC(=O)c3ccc(-c4ccc(Cl)cc4Cl)nc3C)c2c1 1865760783 OLIDYYBQAMZGDI-PPDIBHTLSA-N 453.329 5.618 50 10 JKGE CCOC(=O)c1c(NC(=O)/C(C#N)=C/c2cccc(F)c2)sc(C(=O)Nc2ccccc2)c1C 1866131233 KANAPBZYKPIFBQ-SFQUDFHCSA-N 477.517 5.170 50 10 JKGE CCCCCCCCCOc1ccc(/C=C(\C#N)c2ccc(C(=O)OC(C)C)o2)cc1Cl 1872728534 HTIGECIJSSNPKW-LTGZKZEYSA-N 457.998 7.692 50 10 JKGE CCc1ccccc1OC/C(O)=C(\C#N)c1nc(-c2cc(OC)c(Cl)cc2OC)cs1 1872756086 CHYJDJWZPNEGGC-MNDPQUGUSA-N 456.951 5.915 50 10 JKGE COc1cc(C)c(-c2csc(/C(C#N)=C(\O)c3ccccc3I)n2)cc1C 1872758045 IXPNPPGPTOEQHV-SILNSSARSA-N 488.350 5.990 50 10 JKGE COc1ccc(Cl)cc1-c1csc(/C(C#N)=C(\O)[C@H](C)Oc2ccc(C(C)C)cc2)n1 1872758579 HMJOHZXQHDZXJI-DCBSDEPNSA-N 454.979 6.856 50 10 JKGE C=CCOc1ccccc1OC/C(O)=C(\C#N)c1nc(-c2ccc(OC)c3ccccc23)cs1 1872758787 QMUPRJXHWFNDQJ-LNVKXUELSA-N 470.550 6.408 50 10 JKGE COc1c(Cl)cc(Cl)cc1-c1csc([C@H](C#N)C(=O)/C(C#N)=C/c2ccccc2)n1 1872778089 CXTJEIDBYPGYJQ-OEXZBZRSSA-N 454.338 5.909 50 10 JKGE COc1ccc(/C=N/NC(=O)CSc2nc3ccccc3s2)cc1OCc1cccc(Cl)c1 1873496161 GVQQKOWXUXKPDM-LGJNPRDNSA-N 498.029 5.780 50 10 JKGE CC(C)(C)OC(=O)NCCCCCC(=O)N/N=C/c1ccc(OCc2ccccc2Cl)cc1 1873792826 OEIWYHLQOBDCTR-OGLMXYFKSA-N 474.001 5.454 50 10 JKGE Clc1cc(I)c([C@@H](Cl)c2ccccc2OCc2ccccc2)s1 1900919983 RKXZPVPZNTWSFP-KRWDZBQOSA-N 475.178 6.913 50 10 JKGE Clc1c(Br)sc(Br)c1[C@H](Br)[C@@H]1[C@H]2CCCO[C@H]21 1907587637 KROWYEZKTNYUMR-BBERBSMNSA-N 465.432 5.788 50 10 JKGE CC[C@H](Br)CN(Cc1ccccc1)C(=O)c1ccc(Br)c(C(F)(F)F)c1 1915099974 ZNPTXRLKYYTMMM-HNNXBMFYSA-N 493.161 6.284 50 10 JKGE CC[C@@H](Br)CN(Cc1ccccc1)C(=O)c1sccc1I 1915113999 DXYTWUIJWOPIII-CYBMUJFWSA-N 478.193 5.169 50 10 JKGE Cc1cc(S(=O)(=O)N(Cc2ccccc2)[C@H](CBr)C(C)C)sc1Cl 1915291698 RCOUBQFVRPRLRT-OAHLLOKOSA-N 450.851 5.320 50 10 JKGE Cc1c(Br)sc([C@@H](Cl)c2ccc(Br)c(F)c2)c1Br 1922944975 BIWHZTQKFYWOMX-JTQLQIEISA-N 477.418 6.811 50 10 JKGE Cc1c(Br)sc([C@H](Br)Cc2ccccc2F)c1Br 1922945709 JKPZJCGCIRSAIU-SECBINFHSA-N 457.000 6.399 50 10 JKGE Fc1cccc([C@H](Br)c2c(Cl)sc(Cl)c2Cl)c1Br 1925587044 GFIPZPIRRNJYSI-QMMMGPOBSA-N 453.385 7.094 50 10 JKGE C[C@H]1CCN(Cc2ccccc2)CCN1c1cc(Br)ccc1CBr 1947756048 SCZIEMUGHSBIKK-INIZCTEOSA-N 452.234 5.445 50 10 JKGE BrCc1ccc(N2C[C@H]3C[C@@H](C2)N(Cc2ccccc2)C3)c(Br)c1 2014348468 SOGVIMMTXYWGFW-ROUUACIJSA-N 450.218 5.055 50 10 JKGE Cc1cc(C)c([C@H](Br)c2csc(Br)c2Br)c(C)c1 2032959018 RIPCPQPUBHNTFG-GFCCVEGCSA-N 453.037 6.683 50 10 JKGE CC1(C)C[C@H](Br)CCN1C(=O)c1scc(Br)c1Br 2050645647 FRZPOOZTYGFJAG-SSDOTTSWSA-N 460.029 5.051 50 10 JKGE CC(C)Cc1cc(CBr)n(Cc2ccc(C(F)(F)F)cc2Br)n1 2070043814 JQWGUYUQWBIYGB-UHFFFAOYSA-N 454.128 5.806 50 10 JKGE Clc1c(Br)cccc1C[C@H](Br)c1ccc(Br)cc1 2081411796 KCDOYUBJVCMXFN-ZDUSSCGKSA-N 453.399 6.544 50 10 JKGE Brc1ccc([C@@H](Br)Cc2ccccc2Br)c(Br)c1 2083311190 GXJKBGXYSWDAOY-ZDUSSCGKSA-N 497.850 6.653 50 10 JKGE C[C@@]1(C2CC2)CN(c2ccc(CBr)c(Br)c2)CCN1Cc1ccccc1 2094733981 ZAOKDIKNYCYNRM-QFIPXVFZSA-N 478.272 5.835 50 10 JKGE ClCc1ccc(Br)c(Cl)c1Oc1ccc(Br)cc1Br 2098110286 NGQVFYGEZZEGPE-UHFFFAOYSA-N 489.816 7.159 50 10 JKGE CC(C)[C@@H](CBr)CN(CCCNC(=O)OC(C)(C)C)c1cccc(Br)c1 2106788430 PMMLAZZZZITOGS-INIZCTEOSA-N 492.296 5.837 50 10 JKGE ClCc1nc2cc(Cl)c(Br)cc2n1Cc1ccn(Cc2ccccc2)n1 2112691026 NGHSXFBLFBNZKG-UHFFFAOYSA-N 450.167 5.484 50 10 JKGE C[C@@H]1[C@H](Br)C[C@H]2CC[C@H]1N2Cc1cc(Br)ccc1Br 2118522142 LTFVLFHWUSMZGO-WZZPKWGDSA-N 452.028 5.348 50 10 JKGE Cc1cc(Br)c([C@@H](Br)[C@H]2C[C@@H]3CC[C@H](C2)O3)cc1Br 2124951864 IJCJPZKNSUQSFI-ZVXAKGHKSA-N 453.012 5.914 50 10 JKGE COc1c(Cl)cc(Br)cc1[C@@H](Cl)c1ccccc1I 2138255161 YREHJRHMFZFUCX-ZDUSSCGKSA-N 471.947 6.044 50 10 JKGE Cc1c(Br)ccc([C@H](Br)c2cccc(Cl)c2F)c1Br 2138853968 RLMLEZQHMKIZFM-ZDUSSCGKSA-N 471.389 6.797 50 10 JKGE Fc1ccc(Br)c(COc2cc(Br)ccc2CBr)c1 2141339390 NEOAWBJZMFHWJA-UHFFFAOYSA-N 452.943 5.825 50 10 JKGE ClCc1cccc(Br)c1OCc1ccc(I)c(Cl)c1 2142947056 OVPLDBXZOSSOMC-UHFFFAOYSA-N 471.947 6.025 50 10 JKGE FC1(F)CO[C@@H](CC(CBr)(CBr)c2ccc(Br)cc2)C1 2144792071 ZMZYPPYNMJSCBK-LBPRGKRZSA-N 476.981 5.291 50 10 JKGE Oc1nc2ccc([C@H](Br)c3c(Br)cccc3Br)cc2[nH]1 2150495561 XTHXDRZDBIWCBC-ZDUSSCGKSA-N 460.951 5.278 50 10 JKGE Cc1cc(Br)c(CCl)c(N2CCCN(Cc3ccccc3)CCOCC2)c1 2173450264 LDXQQLWJWZQBCV-UHFFFAOYSA-N 451.836 5.225 50 10 JKGE COc1cc(C)c([C@@H](Br)c2cc(F)ccc2Br)cc1Br 2198737755 SJSLWIOBEVQXEF-OAHLLOKOSA-N 466.970 6.152 50 10 JKGE COc1c(Br)cc(C)cc1[C@H](Br)c1cc(Cl)cc(Br)c1 2203829722 KRJWOFMUGHDFIZ-CQSZACIVSA-N 483.425 6.666 50 10 JKGE C[C@@H](Br)CN(Cc1ccccc1)Cc1c(Br)sc2ccccc12 2210217634 XZUSXAWJQLNWIS-CQSZACIVSA-N 453.243 6.449 50 10 JKGE ClCc1cc(Br)c(OCc2cscc2Br)c(Br)c1 2219922118 ANUGGGQMGKCJPE-UHFFFAOYSA-N 475.427 6.353 50 10 JKGE Clc1cc(Cl)cc(C[C@@H](Br)c2sc(Br)cc2Br)c1 2224021227 ZUMQLCHJNKNPTP-SECBINFHSA-N 493.873 7.259 50 10 JKGE CC1(C)CN(Cc2cc(Cl)ccc2I)C[C@H]1CCBr 2230139543 TZQVBDDFRAKLJR-GFCCVEGCSA-N 456.593 5.188 50 10 JKGE Cc1ccc(Cl)cc1[C@H](Br)c1c(Br)cc(Cl)c(Cl)c1Cl 2232510509 HFHXORGQKAGAQQ-LBPRGKRZSA-N 477.838 7.855 50 10 JKGE COc1cc(C)c([C@@H](Cl)c2ccc(C)c(I)c2)cc1Br 2232837126 PFAFTZCNZAWALL-INIZCTEOSA-N 465.556 6.007 50 10 JKGE CCc1cc([C@H](Br)c2ccc(C)c(I)c2)c(F)cc1F 2232837379 RXQGPLYECHEMTJ-MRXNPFEDSA-N 451.092 5.925 50 10 JKGE COc1cc(F)cc([C@@H](Br)c2cc(Br)c(C)cc2Br)c1 2234410360 VGWNZFAFQVYLAT-OAHLLOKOSA-N 466.970 6.152 50 10 JKGE Cc1cc(Br)c([C@H](Br)c2cccc(F)c2C)c(C)c1Br 2235608889 MCKQMPZPZJCTKX-MRXNPFEDSA-N 464.998 6.760 50 10 JKGE CC[C@H](Br)CN(Cc1ccccc1)C(=O)c1cc(Br)c(F)cc1Cl 2249385383 YKUYAUXBXKGDGP-ZDUSSCGKSA-N 477.599 6.058 50 10 JKGE Cl[C@@H](Cc1cc(Br)cc(Br)c1)c1cscc1OCc1ccccc1 2252834338 ICFAYUQGGYCSLT-SFHVURJKSA-N 486.656 7.375 50 10 JKGE FC(F)(F)c1csc([C@H](Br)c2cocc2Br)c1Br 2258095761 HICHCQDZQUODJR-SSDOTTSWSA-N 468.914 6.369 50 10 JKGE CC(C)c1cc(Br)cc([C@@H](Cl)c2c(Cl)sc(Br)c2Cl)c1 2280668585 QBAPLQLBPJBDFT-LLVKDONJSA-N 477.476 8.032 50 10 JKGE Cc1c(CCl)cccc1NC(=O)c1ccc(Br)cc1I 2283552225 GHBZECGVJJSYIS-UHFFFAOYSA-N 464.528 5.353 50 10 JKGE BrC[C@@H](CCc1ccccc1)Cc1ccc(Br)cc1Br 2286752395 DDYZFFYELAOYQR-AWEZNQCLSA-N 461.035 6.398 50 10 JKGE CC[C@@H](C)c1ccc(OCCOc2ccc(C=C(C#N)C(=O)Nc3cccc(C)c3)cc2OC)cc1 2294593240 MTSQJKIFNRYAMD-JOCHJYFZSA-N 484.596 6.521 50 10 JKGE Clc1ccc([C@@H](CI)OCc2cc(Br)ccc2Cl)cc1 2295174163 VIHLJKULPGBTGT-OAHLLOKOSA-N 485.974 6.449 50 10 JKGE FC1(F)CC2(CC([C@@H](Br)Cc3cc(Br)cc(Br)c3)C2)C1 2295345380 LLMALLKRNBNCPW-ZDUSSCGKSA-N 472.993 6.343 50 10 JKGE CCc1ccc(-c2csc(C(C#N)=CNc3ccc(S(=O)(=O)Nc4nccs4)cc3)n2)cc1 2297461607 NPGCTHAENDOCPM-UHFFFAOYSA-N 493.639 5.606 50 10 JKGE CCOC(=O)c1sc(NC=C(C#N)c2nc(-c3cccs3)cs2)c(C(=O)OCC)c1C 2297465933 OYQINBLEYYYWES-UHFFFAOYSA-N 473.601 5.572 50 10 JKGE Cc1cc([N+](=O)[O-])ccc1-c1ccc(C=C(C#N)C(=O)Nc2ccc(Br)cc2F)o1 2297551679 YTPZQRBRDLMCNY-UHFFFAOYSA-N 470.254 5.611 50 10 JKGE N#CC(=CNc1ccc([N+](=O)[O-])cc1Br)c1nc(-c2ccc(Cl)c(Cl)c2)cs1 2297624317 NTOZACLRADTBBY-UHFFFAOYSA-N 496.173 6.764 50 10 JKGE CC(C)(CC(F)F)[C@@H](Br)c1cc(Br)ccc1OCc1ccccc1 2299497467 QSBSITANIOFZMS-SFHVURJKSA-N 462.172 7.146 50 10 JKGE CC1([C@@H](Br)c2ccc(OCc3ccccc3)cc2Br)CCOCC1 2299499511 YLQNKTJYNKFVFO-IBGZPJMESA-N 454.202 6.281 50 10 JKGE Brc1ccc(OCc2ccccc2)c([C@H](Br)[C@@H]2C[C@@H]3C[C@H]3CO2)c1 2299505089 SWFVQCDSLJXWFQ-SLUIBLPYSA-N 452.186 5.889 50 10 JKGE CCOc1cc(C=C(C#N)C(=O)Nc2ccc(F)cc2)ccc1OCc1ccc(Cl)cc1 2313540848 XLPVYGZTPFKQQJ-UHFFFAOYSA-N 450.897 6.002 50 10 JKGE COc1cc(C=C(C#N)C(=O)Nc2cccc3ccccc23)ccc1OC(=O)c1ccc(Cl)cc1 2313671178 NNLBXRFOCYDKIQ-UHFFFAOYSA-N 482.923 6.267 50 10 JKGE Fc1ccc([C@H](Cl)c2cc(Br)ccc2OCc2ccccc2)cc1Br 2314447716 BEOVGDLAAXLQHY-FQEVSTJZSA-N 484.590 7.258 50 10 JKGE Fc1cccc(C[C@@H](Br)c2cc(Br)ccc2OCc2ccccc2)c1 2314450162 WOYVSJYIRPIBON-HXUWFJFHSA-N 464.172 6.846 50 10 JKGE FC1(F)CC12CC([C@H](Br)c1cc(Br)ccc1OCc1ccccc1)C2 2314455344 OCSXUJGKRDRZKY-WHDUELSGSA-N 472.167 6.900 50 10 JKGE N#CC(=Cc1ccc(-n2nc(-c3ccccc3)cc2-c2ccccc2)cc1)c1nc(O)c2ccccc2n1 2314482595 PBMYSCJHQQTXQT-UHFFFAOYSA-N 491.554 6.919 50 10 JKGE Cc1ccc(N2C(=O)[C@@H](Cc3ccccc3C)SC2=C(C#N)C(=O)Nc2ccccc2)cc1C 2314592166 MWBBTTXTLLRECT-RUZDIDTESA-N 467.594 5.677 50 10 JKGE Cc1cccc(C[C@H]2SC(=C(C#N)C(=O)NCc3ccccc3)N(c3ccc(C)c(C)c3)C2=O)c1 2314592766 BHIKMMDNUMBDTO-AREMUKBSSA-N 481.621 5.355 50 10 JKGE CCCCCCOc1ccc(C=C(C#N)C(=O)Nc2cc([N+](=O)[O-])ccc2OC)cc1OC 2314732425 RJFTWQITKMSACL-UHFFFAOYSA-N 453.495 5.117 50 10 JKGE COc1cc(C=C(C#N)C(=O)NCc2ccccc2)ccc1OCc1c(Cl)cccc1Cl 2314739951 OALJHFMRUWYNRB-UHFFFAOYSA-N 467.352 5.804 50 10 JKGE CCO[C@@H]1C[C@@H]1[C@@H](Br)c1c(Cl)cc(Br)c(F)c1Br 2315436007 IVLQYSXKBXEZJH-VCPWFBHLSA-N 465.382 5.865 50 10 JKGE CN[C@H](c1c(Cl)cc(Br)c(F)c1Br)[C@H]1C[C@H](Br)C1 2315458279 LAOLSABRQCNCSA-WPOIXZHQSA-N 464.398 5.438 50 10 JKGE COc1cc(C(=O)Oc2cccc(C=C(C#N)c3ccccc3)c2)c(Br)c(OC)c1OC 2320506326 HHLDZXXJAZUSRJ-UHFFFAOYSA-N 494.341 5.758 50 10 JKGE C[C@H]1C[C@@H](C)C[C@@H](Br)[C@@H]1Cc1ccc(I)c(Br)c1 2325176295 VSKPZKHIOIXQSD-LYIQGSDWSA-N 486.029 6.042 50 10 JKGE N#CC(=C(O)CCc1nc2ccccc2[nH]c1=O)c1nc(-c2ccc(-c3ccccc3)cc2)cs1 2331232043 LUIJMEZGOIVNTR-UHFFFAOYSA-N 476.561 6.139 50 10 JKGE COc1ccccc1-c1csc(C(C#N)=C(O)c2ccc(N3C(=O)c4ccccc4C3=O)cc2)n1 2331281797 SNVTVLUIHPTQHB-UHFFFAOYSA-N 479.517 5.569 50 10 JKGE COc1ccc(OC)c(-c2csc(C(C#N)=C(O)C=Cc3ccc(Cl)cc3Cl)n2)c1 2331325097 JPHDNWKIZMCTBX-UHFFFAOYSA-N 459.354 6.640 50 10 JKGE CC(C)(C)c1ccc(-c2csc(C(C#N)=C(O)CCCOc3ccc(Cl)cc3)n2)cc1 2331331917 IMYXJXFZFLLIQB-UHFFFAOYSA-N 453.007 7.413 50 10 JKGE N#CC(=C(O)CN1C(=O)COc2ccc(Cl)cc21)c1nc(-c2cccc3ccccc23)cs1 2331340234 WKBOHVCAFFQFQY-UHFFFAOYSA-N 473.941 5.835 50 10 JKGE Cc1cc(C)c(C)c(-c2csc(C(C#N)=C(O)[C@H](CC(C)C)N3C(=O)c4ccccc4C3=O)n2)c1C 2331364417 CALWXXBOFFAYOH-DEOSSOPVSA-N 499.636 6.547 50 10 JKGE Cc1cc(C)c(C)c(-c2csc(C(C#N)=C(O)CCc3nc4ccccc4[nH]c3=O)n2)c1C 2331366265 GPFFLTCAYAISNM-UHFFFAOYSA-N 456.571 5.706 50 10 JKGE COc1cc(OC)c(-c2csc(C(C#N)=C(O)c3ccccc3Br)n2)cc1Cl 2331377475 CEEQPHXXYLNJTA-UHFFFAOYSA-N 477.767 6.193 50 10 JKGE COc1c(Cl)cc(Cl)cc1-c1csc(C(C#N)=Cc2cc3c(cc2[N+](=O)[O-])OCCO3)n1 2331467271 WVTOUROTINDPSR-UHFFFAOYSA-N 490.324 5.869 50 10 JKGE CN(c1ccc(CBr)c(Br)c1)[C@H]1C[C@@H]2C[C@H](OCc3ccccc3)C[C@H]12 2332003860 ZNFQKZNTLNHZAF-UTYWTXRGSA-N 479.256 6.164 50 10 JKGE FC1(F)CC[C@@H]2[C@@H]([C@@H](Br)Cc3cc(Br)cc(Br)c3)[C@@H]21 2335066339 FNKDFZYVPSYWHR-MROQNXINSA-N 458.966 5.809 50 10 JKGE COc1ccc(Cl)cc1[C@H](Br)c1cc(Br)ccc1OCc1ccccc1 2336074723 JENBBDQQGWIISD-OAQYLSRUSA-N 496.626 7.174 50 10 JKGE Cc1cc(Br)c([C@H](Br)[C@@H]2COCC2(C)C)c(C)c1Br 2336207429 UVASIHCQDOLFMZ-IINYFYTJSA-N 455.028 5.937 50 10 JKGE Fc1c(Br)cc(Cl)c([C@H](Br)[C@@H]2CCC23CCC3)c1Br 2337095008 VMWAZYUYBFHGTH-WRWORJQWSA-N 475.421 7.020 50 10 JKGE BrCC1(COCc2cc(Br)cc(Br)c2)CCCCC1 2337102209 OVSHDVNRKCBHNI-UHFFFAOYSA-N 455.028 6.074 50 10 JKGE COc1c(Br)cc(C)c([C@@H](Br)[C@@H](C)C(C)(C)C)c1Br 2339654692 UMIMLSGFJGWQJW-SKDRFNHKSA-N 457.044 6.647 50 10 JKGE Cc1cc(Br)c(F)c(Br)c1[C@@H](Br)[C@H]1[C@H]2C[C@@H]3[C@H]1[C@@H]3C2 2339686653 ZTPKSEPJLWJLNT-OHAVQRIOSA-N 452.987 5.997 50 10 JKGE Clc1ccc(CN2CC[C@@H]3C[C@@H](Br)CC[C@@H]32)c(I)c1 2341029989 LNNHAVWIAPUKJK-GMXABZIVSA-N 454.577 5.083 50 10 JKGE O=C(Nc1ccc(CBr)c(F)c1)c1scc(Br)c1Br 2341924676 VMYZXLXBHTYTGW-UHFFFAOYSA-N 471.971 5.559 50 10 JKGE Cl[C@@H]1CCCCCCC[C@@H]1Cc1ccc(I)c(Br)c1 2349778399 KRVWVQSLTZEWCB-UKRRQHHQSA-N 455.605 6.564 50 10 JKGE FC1(F)CCC2(CC1)C[C@@H]2[C@H](Cl)c1cc(Br)ccc1OCc1ccccc1 2361202396 ATYPLEPGZRJDSS-UYAOXDASSA-N 455.770 7.524 50 10 JKGE COc1c(Br)cc(C)c([C@H](Br)c2c(Cl)cnn2C)c1Br 2365182721 CZJGCQWSFDKWJJ-JTQLQIEISA-N 487.417 5.400 50 10 JKGE COc1c(Br)cc(C)c([C@H](Br)c2cccc(F)c2)c1Br 2365188785 OGXQAHGQLZWMHH-CYBMUJFWSA-N 466.970 6.152 50 10 JKGE COc1c(Br)cc(C)c([C@H](Br)[C@H]2C[C@@H]3CC[C@H]2O3)c1Br 2365190966 KAFFEEHEYFWBFK-FIQUKUQUSA-N 469.011 5.532 50 10 JKGE Cn1nc(C(F)F)c(CBr)c1Oc1ccc(Br)cc1Br 2365316554 KOLXBZZZJHYKTQ-UHFFFAOYSA-N 474.925 5.570 50 10 JKGE C[C@H](Br)C[C@H]1CCCCN1C(=O)c1ccc(Cl)cc1I 2365588785 NUSSUIIJIXDQFB-CMPLNLGQSA-N 470.576 5.113 50 10 JKGE Fc1cccc([C@H](CBr)OCc2ccc(Cl)cc2I)c1 2365644266 BSVKPVLMEIHFCK-HNNXBMFYSA-N 469.519 5.737 50 10 JKGE FC(F)(F)[C@@H]1[C@@H](Br)CCCN1Cc1cc(Cl)ccc1I 2370283664 FDQJBEJAGUFSSA-JQWIXIFHSA-N 482.509 5.235 50 10 JKGE CC1CCC([C@H](CBr)NCc2cc(Cl)ccc2I)CC1 2379766058 SCJITPLEYOOLQF-PPUFBPAQSA-N 470.620 5.624 50 10 JKGE Cc1cc(Br)c([C@H](Br)[C@H]2C[C@@H](C(F)(F)F)C2)c(C)c1Br 2380889440 KFGFDFDOEKDBID-VYUIOLGVSA-N 478.972 6.853 50 10 JKGE CC(C)COc1ccc(Br)cc1C(=O)NNC(=O)c1ccc(OCc2ccccc2)cc1 14667043 LKOMCPREVYDHQX-UHFFFAOYSA-N 497.389 5.138 50 10 JKGE CC(C)c1ccc(C=NNC(=O)CSc2nnc([C@@H](C)Nc3cccc(Cl)c3)n2C)cc1 15931508 YKANXRPZKGGWMS-MRXNPFEDSA-N 471.030 5.007 50 10 JKGE C=CCOc1ccc(Br)cc1/C=N/NC(=O)c1ccccc1OCc1ccccc1 20161142 FGHJCJGDNYRNFM-WGOQTCKBSA-N 465.347 5.357 50 10 JKGE COc1ccc(/C=N/NC(=O)[C@@H]2C[C@@H]2c2ccc(C(C)(C)C)cc2)cc1CSCc1ccco1 33959871 BTWZRGKWCWWHCQ-APHAHKARSA-N 476.642 6.273 50 10 JKGE CNC(=O)/C(C#N)=C\c1cn(-c2ccccc2)nc1-c1cccc(OCc2ccc(Cl)cc2)c1 35446094 QCLHYKPAYVSFCM-STZFKDTASA-N 468.944 5.425 50 10 JKGE C=CCNC(=O)/C(C#N)=C\c1cn(-c2ccccc2)nc1-c1cccc(OCc2ccc(C)cc2)c1 35446152 KCNGZLUFYYQVGY-UQQQWYQISA-N 474.564 5.636 50 10 JKGE Cc1ccc([C@H]2c3cccn3-c3ccccc3N2C(=O)CN(C(=O)C(C)(C)CCl)C(C)C)cc1 35706976 SOPYSGZASDWJNW-SANMLTNESA-N 478.036 5.724 50 10 JKGE C/C(=N/NC(=O)c1cc2ccccc2cc1O)c1ccc2c(c1)[C@@H]1C=CC[C@@H]1[C@H](c1ccccc1)N2 38182531 TVKWLAPEUOAAHY-XDCSVYQZSA-N 473.576 6.526 50 10 JKGE CSc1ccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)COc4ccc(C(C)C)cc4)ccc32)cc1 38682548 IIBBPCNJYJTMKP-HHHXNRCGSA-N 486.593 5.734 50 10 JKGE COc1cc(/C=C(\C#N)c2ccc(Cl)cc2)ccc1OC(=O)COc1ccc(Br)cc1 40850970 LDSFMFZEJPYDNR-LDADJPATSA-N 498.760 6.160 50 10 JKGE N#C/C(=C\c1ccc(OC(=O)c2ccccc2CCc2ccccc2)cc1)C(=O)NCc1ccco1 40925296 KZRLHIJIKWZLIH-NCELDCMTSA-N 476.532 5.507 50 10 JKGE COc1cc2ccccc2cc1C(=O)N/N=C1/C(=O)N(Cc2ccccc2Cl)c2ccccc21 59157055 SOBABVNUVLKFHE-XLVZBRSZSA-N 469.928 5.183 50 10 JKGE Cc1ccc(C(C)C)c(OCCn2cc(/C=C(/C#N)C(=O)NC3CCCCC3)c3ccccc32)c1 96577089 FMQMKPYFMNTYFK-NKFKGCMQSA-N 469.629 6.508 50 10 JKGE CCn1c2ccccc2c2cc(NC(=O)c3oc4c(c3C)/C(=N\NC(N)=O)CC(C)(C)C4)ccc21 101110179 SFHFXUFNJCBRNP-FSGOGVSDSA-N 471.561 5.313 50 10 JKGE Cc1ccccc1NC(=O)/C(C#N)=C1/S[C@@H](Cc2ccccc2)C(=O)N1c1ccccc1C 102667091 ZSKZEYKQULAVGD-XYZDCVNTSA-N 453.567 5.368 50 10 JKGE Brc1cc([C@H](Br)[C@H]2COc3ccccc3O2)c(Br)s1 109869875 QMIQFLPQFFNIKN-PWSUYJOCSA-N 468.992 5.549 50 10 JKGE CCOc1ccc(Br)cc1[C@H](Br)c1ccc(F)cc1Br 109871897 DXYGOYWWZWMNMD-OAHLLOKOSA-N 466.970 6.234 50 10 JKGE CC[C@]1(C)[C@@H](Br)C[C@H]1Oc1cc(Br)c(OC)cc1Br 118643593 HFQYJQIOTGLLGN-BFHYXJOUSA-N 457.000 5.551 50 10 JKGE Clc1cc([C@H](Br)c2sccc2Br)sc1Br 127576309 BIRZJKUDCONCTB-ZETCQYMHSA-N 451.430 6.472 50 10 JKGE C[C@H]([C@@H]1CCC[C@@H]1P(c1ccccc1)c1ccccc1)N(C)P(c1ccccc1)c1ccccc1 148012187 XTEZRKIYDYCSEW-GWTOPCPNSA-N 495.587 6.656 50 10 JKGE C[Si](C)O[Si](C)(C)CC[Si](O[Si](C)(C)C)(O[Si](C)(C)C)O[Si](C)(C)C 198030569 LGJLPMYXDWSWCM-UHFFFAOYSA-N 456.021 5.953 50 10 JKGE CC1=C(C#N)C(=O)N(C(C)C)C(=O)/C1=C\c1cn(-c2ccccc2)nc1-c1cc(C)ccc1C 214247889 QSEDPLBIFXCQEU-OYKKKHCWSA-N 450.542 5.157 50 10 JKGE CCCC[C@H](CC)COc1c(Br)cc(CBr)cc1Br 233071213 UEUVDSIVKBJILW-NSHDSACASA-N 457.044 6.702 50 10 JKGE Cc1csc([C@H](Br)c2cc(Br)sc2Br)c1Cl 235947917 RPRZVNMGGCPZEY-SSDOTTSWSA-N 465.457 6.781 50 10 JKGE Cc1nn(C)c(COc2c(Br)cc(CCl)cc2Br)c1Br 235976678 YRHXKAFBLVSXGT-UHFFFAOYSA-N 487.417 5.334 50 10 JKGE CCCOc1ccc(C=NNC(=O)c2cc(-c3ccc([C@H](C)CC)cc3)nc3ccccc23)cc1OC 252620473 MESOEDSAZCWLQC-OAQYLSRUSA-N 495.623 6.977 50 10 JKGE 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 257512257 PIOYBULRRJNPSG-RZJNYYJWSA-N 454.695 6.837 50 10 JKGE endogenous,in-man Brc1cccc(C[C@H](Br)c2sccc2I)c1 309294203 WVIHTKZERJRFIB-JTQLQIEISA-N 471.983 5.794 50 10 JKGE Cc1cc(C)c([C@@H](Br)c2cccc(Br)c2Cl)c(C)c1Br 312349169 FGICPUKTDLMTFI-HNNXBMFYSA-N 481.453 7.275 50 10 JKGE Fc1cccc(COc2cccc(CBr)c2Br)c1Br 314963468 ACZKMOJDGMEJQO-UHFFFAOYSA-N 452.943 5.825 50 10 JKGE COc1ccc(Cl)cc1[C@@H]1CN(C(=O)OCc2ccccc2)C[C@H]1CI 382709463 WSTKVHAXNGHBMO-CRAIPNDOSA-N 485.749 5.136 50 10 JKGE C[C@@H](COCc1ccccc1)Cn1c(CCl)nc2cc(I)c(F)cc21 390429339 ZOKPBUSTNVSCTH-CYBMUJFWSA-N 472.729 5.372 50 10 JKGE CC(C)(C)[Si](C)(C)OCc1ccc([C@H]2CN(S(=O)(=O)c3ccccc3)CCCO2)cc1 616661261 YHXCISIKOUFCEH-HSZRJFAPSA-N 461.700 5.361 50 10 JKGE CN(C(=O)OC(C)(C)C)c1ccccc1[C@@H]1Cc2ccccc2N(CCO[Si](C)(C)C(C)(C)C)C1 616672193 KHXCLNWTMPLPKB-HSZRJFAPSA-N 496.768 7.226 50 10 JKGE CN(C(=O)OC(C)(C)C)c1cccc([C@@H]2Cc3ccccc3N(CCO[Si](C)(C)C(C)(C)C)C2)c1 616673544 VJKSZSOPKCEILS-XMMPIXPASA-N 496.768 7.226 50 10 JKGE CC(C)(C)c1cccc([C@H](Br)c2cc(Br)c(Br)s2)c1 691737413 FMLRJJWXQJYYIW-ZDUSSCGKSA-N 467.064 7.055 50 10 JKGE ClCc1nc2cc(Cl)ccc2n1CC1(N(Cc2ccccc2)Cc2ccccc2)COC1 705869266 KPZZROORHUJIDI-UHFFFAOYSA-N 466.412 5.900 50 10 JKGE COc1cc(C=NNC(=O)c2cccc([N+](=O)[O-])c2C)cc(Br)c1OCc1ccccc1 1083911743 WYCYWOKIWWXKHK-UHFFFAOYSA-N 498.333 5.017 50 10 JKGE CCCCCCCCCCOc1ccc(C(=O)NN=Cc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])cc1 1084344553 OZYOAJZHVLDIDT-UHFFFAOYSA-N 470.526 5.786 50 10 JKGE CCOc1ccc(C(=O)NN=Cc2c(OCc3ccc(Cl)c(Cl)c3)ccc3ccccc23)cc1 1084589147 DZEPUXDWKWMUKJ-UHFFFAOYSA-N 493.390 6.888 50 10 JKGE Cc1ccc(C(=O)NN=C2CCCc3oc(C(=O)Nc4nc5ccccc5s4)c(C)c32)cc1 1772744672 GETPSLVOTWYDIE-UHFFFAOYSA-N 458.543 5.229 50 10 JKGE Cc1c(C(=O)Nc2ccccc2F)oc2c1C(=NNC(=O)c1ccc(Cl)c([N+](=O)[O-])c1)CCC2 1772748511 QWPZBNFHFXPWFM-UHFFFAOYSA-N 484.871 5.011 50 10 JKGE N#CC1=C(N)Oc2c(c(-c3ccccc3)nn2Cc2cccc(Cl)c2)[C@H]1c1cccc(Cl)c1 1865684538 ZZYMAEOUCYPAIV-QFIPXVFZSA-N 473.363 6.123 50 10 JKGE CCc1nn(Cc2ccc(Cl)cc2)c2c1[C@@H](c1c(Cl)cccc1Cl)C(C#N)=C(N)O2 1865686589 XLBAHRODDZYSSJ-GOSISDBHSA-N 459.764 5.672 50 10 JKGE CCc1nn(-c2cccc3ccccc23)c2c1[C@H](c1cc(Br)ccc1O)C(C#N)=C(N)O2 1865697022 UOCPNFAUTZGLPR-JOCHJYFZSA-N 487.357 5.274 50 10 JKGE CCCCOc1ccc([C@H]2C(C#N)=C(N)Oc3c2c(CCC)nn3Cc2ccc(C)cc2)cc1OC 1865697341 QFDSEVIPOUFVFT-SANMLTNESA-N 486.616 5.598 50 10 JKGE COc1ccc(-c2nn(-c3cccc(Cl)c3)c3c2[C@H](c2c[nH]c4ccccc24)C(C#N)=C(N)O3)cc1 1865700348 QOMOSYCVXFKRGL-DEOSSOPVSA-N 493.954 5.901 50 10 JKGE CCCc1nn(-c2ccc(Cl)c(Cl)c2)c2c1[C@H](c1ccc(N(CC)CC)cc1)C(C#N)=C(N)O2 1865702192 PBCSYAMVJFLQOF-HSZRJFAPSA-N 496.442 6.196 50 10 JKGE CCCC[C@@H](NC(=O)C[C@H](c1ccc(C(C)C)cc1)C(C)C)C(=O)Nc1ccc(SC#N)cc1 1866738123 DETYIHXWXDWHLC-IZZNHLLZSA-N 479.690 6.827 50 10 JKGE CC(C)[C@H](CC(=O)N[C@H](C(=O)Nc1ccc(SC#N)cc1)c1ccccc1)c1ccc(Cl)cc1 1866764248 UXKMKYJTILINER-AHWVRZQESA-N 492.044 6.539 50 10 JKGE CCCc1nc(Nc2ccc(SC#N)cc2)cc(N2CCN(C(=O)c3cc4ccccc4[nH]3)CC2)n1 1868389677 ZSMXZADBCLPESQ-UHFFFAOYSA-N 497.628 5.190 50 10 JKGE COc1ccc(-c2csc(/C(C#N)=C(\O)c3ccc4c(c3)C(=O)N(C3CCCCC3)C4=O)n2)cc1 1872746065 PREOWYOCQQRFHE-GYHWCHFESA-N 485.565 5.697 50 10 JKGE Cc1cc(-c2csc(/C(C#N)=C(\O)c3ccc4c(c3)C(=O)N(Cc3ccccn3)C4=O)n2)ccc1F 1872749686 COBIJNHGPRSCSC-FLFQWRMESA-N 496.523 5.399 50 10 JKGE N#C/C(=C(/O)CCCOc1ccccc1Cl)c1nc(-c2ccc3c(c2)OCCO3)cs1 1872751250 YSEQARAYBPQAOP-MNDPQUGUSA-N 454.935 5.887 50 10 JKGE CCOc1ccc(CC/C(O)=C(\C#N)c2nc(-c3ccc(OC)c(Cl)c3)cs2)cc1OC 1872757595 NACXNZXLQSIJSN-JZJYNLBNSA-N 470.978 6.305 50 10 JKGE CCCCOc1ccc(/C=C(\C#N)c2nc(-c3ccc(Oc4ccccc4)cc3)cs2)cc1 1872793022 DFYWDGIIXKMQNY-PTGBLXJZSA-N 452.579 7.845 50 10 JKGE Cc1cc(C)c(-c2csc(/C(C#N)=C/c3ccccc3OCc3ccc(Cl)cc3)n2)c(C)c1 1872794370 XOJGTXLNHNKYMP-OEAKJJBVSA-N 471.025 8.032 50 10 JKGE COCCOc1ccc([C@@H](Br)C2CC(Br)C2)cc1Br 1887735187 AVFDCOCLUFMJCK-QIMFLAQGSA-N 457.000 5.084 50 10 JKGE CC1(C)COc2c([C@H](Br)C3CC(Br)C3)cc(Br)cc21 1887736019 MESNTJOMPLWFKZ-KJHLLKJSSA-N 453.012 5.729 50 10 JKGE Brc1ccc(C[C@@H]2CCCCCCCC[C@H]2Br)c(Br)c1 1913418026 ZMIINTLEKBAUKZ-XJKSGUPXSA-N 467.083 7.268 50 10 JKGE CC(C)[C@@H](CCl)N(Cc1ccccc1)Cc1cccc(Br)c1Br 1915295728 NBCXIYWKLFBYTJ-GOSISDBHSA-N 459.653 6.477 50 10 JKGE Cc1cc([C@H](Br)c2cc(Br)c3c(c2)C[C@@H](C)O3)oc1Br 1917618849 ZFJISVOCLSEQGJ-AMIZOPFISA-N 464.979 5.921 50 10 JKGE CCCc1ccccc1[C@H](Br)c1sc(Br)cc1Br 1922882884 IDLVKZDMGABBPO-ZDUSSCGKSA-N 453.037 6.710 50 10 JKGE FC(F)(F)c1ccc(Cl)c([C@H](Cl)c2sc(Br)cc2Br)c1 1922885662 IZIUUUYTXQQAKS-JTQLQIEISA-N 468.947 7.274 50 10 JKGE C[C@@]1([C@H](Br)c2c(Br)sc(Br)c2Br)CCCO1 1924579403 DZQNJYXGUPBNLC-XCBNKYQSSA-N 497.872 6.041 50 10 JKGE Cn1ncc([C@H](Br)c2c(Cl)sc(Br)c2Cl)c1Br 1925593235 HRRBFPLGGNODSF-YFKPBYRVSA-N 483.838 5.798 50 10 JKGE CS(=O)(=O)c1cccc([C@H](Br)c2c(Cl)sc(Br)c2Cl)c1 1925597745 GQRILCUKUQUJJS-VIFPVBQESA-N 479.042 5.705 50 10 JKGE BrCc1cc(Br)c(OCC2CC(Br)C2)c(Br)c1 2020240710 JBNCJZGTJPOCQC-UHFFFAOYSA-N 491.843 5.659 50 10 JKGE CCCOc1ccc(Br)cc1C=C(C#N)C(=O)c1c(C)[nH]c(C)c1C(=O)OCC 2042446403 OZTVSYVPTOCOAZ-UHFFFAOYSA-N 459.340 5.149 50 10 JKGE BrCc1ccc(Br)cc1N1CC[C@@H]2CN(Cc3ccccc3)C[C@H]2C1 2049663720 ASLKLEXPUVWTIF-MOPGFXCFSA-N 464.245 5.302 50 10 JKGE Cc1cc(Br)c(C)c([C@@H](Br)[C@H](C)C(F)(F)F)c1Br 2081070507 JVKBJWXTKZBWAT-CPCISQLKSA-N 452.934 6.463 50 10 JKGE Cc1ccc([C@@H](Br)c2cc(Br)c(Cl)cc2F)cc1Br 2097836272 YLYFBERAORMOPM-CQSZACIVSA-N 471.389 6.797 50 10 JKGE C[C@H]1C[C@H](n2c(CCl)nc3cc(Br)c(Cl)cc32)CN1Cc1ccccc1 2103623723 LQAXSHPUNHHHEY-ZFWWWQNUSA-N 453.211 6.027 50 10 JKGE BrCc1cc(Br)ccc1N1[C@H]2CCC[C@H]1CN(Cc1ccccc1)CC2 2110316045 MYGIBFPRASBCGB-SFTDATJTSA-N 478.272 5.977 50 10 JKGE Cn1ncc(Cl)c1COc1c(Br)cc(Br)cc1CBr 2111948970 QUOLCADSVRWERD-UHFFFAOYSA-N 473.390 5.072 50 10 JKGE Fc1cc(Br)cc(OCc2cccc(Br)c2)c1CBr 2135984247 SCDFOQQFAOTFSP-UHFFFAOYSA-N 452.943 5.825 50 10 JKGE CC(C)Cc1ccc([C@H](Cl)c2ccc(Br)cc2I)s1 2142277710 TUVDSYWOCVQDKY-OAHLLOKOSA-N 469.613 6.642 50 10 JKGE C[C@@H](c1cnn(Cc2ccccc2)c1)n1c(CCl)nc2cc(I)c(F)cc21 2146218194 VRTRTLMSSNXBLX-ZDUSSCGKSA-N 494.739 5.373 50 10 JKGE CC(C)(C)[C@@H]1CC[C@@H](Br)[C@H](Cc2cccc(Br)c2Br)C1 2148754599 VPMJSMJQMKCTCD-MGPQQGTHSA-N 467.083 6.980 50 10 JKGE CC1(C)[C@H]2CC[C@@H](C2)[C@@]1(CBr)Cc1cccc(Br)c1Br 2148759087 FBLDPSJXFWAHIH-DCGLDWPTSA-N 465.067 6.592 50 10 JKGE BrCc1ccc(N2C[C@]34CCC[C@@]3(CN(Cc3ccccc3)C4)C2)c(Br)c1 2153341080 LUBJDNMEMOPLFC-DHIUTWEWSA-N 490.283 5.837 50 10 JKGE FC1(F)CCC2(CC1)[C@@H](Oc1ccccc1I)C[C@H]2Br 2177594956 CBCROCYIJPXVGJ-OLZOCXBDSA-N 457.096 5.402 50 10 JKGE CN(c1ccc(F)c(Cl)c1CBr)[C@@H]1C[C@@H]2C[C@@H](OCc3ccccc3)C[C@H]21 2190552413 AQWTYHCLTZLOFH-BIZBXSGISA-N 452.795 6.194 50 10 JKGE Cc1ccccc1[C@H](CI)OCc1cc(Cl)ccc1Br 2200755722 YPVXWNJICFLATE-INIZCTEOSA-N 465.556 6.104 50 10 JKGE Cc1cc2sc([C@@H](Br)c3ccc(Br)c(C)c3Br)cc2s1 2203685777 REUDYDNLLZZSHF-HNNXBMFYSA-N 495.099 7.589 50 10 JKGE Cc1c(Br)ccc([C@@H](Br)c2ccc(C(F)F)cc2)c1Br 2203701151 FJPBXXGMPMZWTP-AWEZNQCLSA-N 468.961 6.942 50 10 JKGE CCc1cc(Br)c([C@@H](Br)c2sc(C)cc2Br)s1 2215943660 RYEMQLNTWUKPEK-JTQLQIEISA-N 459.066 6.690 50 10 JKGE Cc1sc([C@@H](Br)Cc2cccc(Br)c2)c(Br)c1C 2221843143 HQCIVWUAMOSNEF-LBPRGKRZSA-N 453.037 6.569 50 10 JKGE Clc1cc(Cl)cc(C[C@@H](Br)c2cc(Br)sc2Br)c1 2224019726 QUKNIOMEFRRVGX-SNVBAGLBSA-N 493.873 7.259 50 10 JKGE Fc1cc(Br)c(Br)cc1[C@@H](Br)C[C@@H]1C[C@H]2CC[C@H]1C2 2225617902 WKXVWPWHULJUBK-GMOBBJLQSA-N 455.003 6.613 50 10 JKGE C[C@@H]1O[C@@]2([C@@H](Br)c3cc(Br)c(Br)cc3F)CC[C@H]1C2 2225619575 KOPAMFAUXHQHJU-MQXWNXJFSA-N 456.975 5.744 50 10 JKGE Cc1c(Br)csc1[C@H](Cl)c1c(Br)cc(Cl)c(Cl)c1Cl 2226127624 XTOFPGWZEAIPTL-LLVKDONJSA-N 483.867 7.870 50 10 JKGE BrCC(CBr)(Cc1nscc1Br)C1CCCCCC1 2227092792 VJPYSCYEHDOSLP-UHFFFAOYSA-N 474.100 6.195 50 10 JKGE Clc1cc(Br)cc([C@@H](Br)Cc2ccc(Br)cc2Cl)c1 2229151839 NZZRINFAQCCQGK-ZDUSSCGKSA-N 487.844 7.197 50 10 JKGE COC12CCC([C@@H](Cl)c3c(Br)sc(Br)c3Br)(CC1)C2 2231610422 YMUMTRNIAWDDHU-ALXWSUNGSA-N 493.486 6.665 50 10 JKGE Fc1cc([C@@H](Br)c2c(Br)cc(Cl)c(Cl)c2Cl)ccc1Cl 2232514299 UONVNFVMGPZVRF-LLVKDONJSA-N 481.801 7.686 50 10 JKGE CCCCCCCCC[C@@H](Br)c1cc(Br)c(Br)cc1F 2233977037 SITKDGNGVMTWKS-CYBMUJFWSA-N 473.062 7.927 50 10 JKGE Cn1nc([C@@H](Br)c2c(F)cc(F)c(Br)c2F)c(Br)c1Cl 2236114053 HVPKKBMUJZRVQC-ZETCQYMHSA-N 497.334 5.500 50 10 JKGE Cc1cc(Br)c(C)c([C@H](Br)C2(C)CC3(CCC3)C2)c1Br 2236516547 CMPGMQYTAKGACD-HNNXBMFYSA-N 465.067 7.235 50 10 JKGE Fc1c(Br)cccc1[C@@H](Br)c1ccc2c(c1Br)CCO2 2238082667 QKOJWQJIHURRHZ-AWEZNQCLSA-N 464.954 5.770 50 10 JKGE COc1cc(F)c(Br)cc1[C@H](Cl)c1cc(C)ccc1I 2241001743 QOUUOXMDILPHOE-OAHLLOKOSA-N 469.519 5.838 50 10 JKGE COc1sc([C@@H](Cl)c2ccc(Cl)c(I)c2)cc1Br 2256338563 XXGDHSQRCXKKRN-NSHDSACASA-N 477.976 6.105 50 10 JKGE C[C@H](c1ccncc1Br)[C@@H](Cl)c1ccc(Cl)c(I)c1 2268270592 RMBVXIMIFUENHW-XLKFXECMSA-N 470.963 6.186 50 10 JKGE COc1ccc([C@@H](Br)c2cc(C)cc(Cl)c2)cc1I 2269556711 QQDTYGMAGHFDOU-OAHLLOKOSA-N 451.529 5.746 50 10 JKGE CO[C@@H]1C[C@]2([C@H](Br)c3c(F)cc(Br)c(F)c3Br)C[C@H]12 2272720989 CHYUMLDRNFFZJR-BVJGAWNJSA-N 460.938 5.351 50 10 JKGE CC1(C[C@H](Br)c2c(F)cc(Br)c(F)c2Br)CCCC1 2272838567 ABQLHAXNNNUONS-VIFPVBQESA-N 460.982 6.896 50 10 JKGE C[C@@H]1CCO[C@H]1C[C@H](Br)c1c(F)cc(Br)c(F)c1Br 2272838591 AHLQPOYIMIZTPV-FWWHASMVSA-N 462.954 5.741 50 10 JKGE Brc1cc(Br)cc(C[C@@H](Br)CC[C@@H]2CCCCO2)c1 2277961110 PFWMUHCFVOOUMH-WFASDCNBSA-N 455.028 5.867 50 10 JKGE Cc1cccc(Br)c1[C@H](Br)c1cc2sc(Br)cc2s1 2278021480 MZHJESNXHOCSAR-CQSZACIVSA-N 481.072 7.281 50 10 JKGE COc1cc(Cl)c(Cl)cc1[C@H](Br)c1ccc(Br)cc1Cl 2279056025 IKEQWGVHYUZMOG-CQSZACIVSA-N 459.392 6.902 50 10 JKGE COc1ccc([C@H](Cl)c2cc(Br)c(Br)s2)c(Cl)c1OC 2283585930 FUYNEBRCQJZLRI-JTQLQIEISA-N 461.002 6.272 50 10 JKGE COc1c([C@H](Br)c2c(Br)cc(C)c(Br)c2C)csc1C 2287223371 UYBYLJFJOQFOEX-AWEZNQCLSA-N 483.063 6.691 50 10 JKGE O=C(NN=Cc1ccc(-c2ccccc2Cl)o1)C(=Cc1cccs1)NC(=O)c1ccccc1 2293968587 AYLXYPMDVRTTTB-UHFFFAOYSA-N 475.957 5.583 50 10 JKGE CCOC(=O)c1c(-c2ccc(C)cc2)csc1NC(=O)C(C#N)=Cc1ccc(OC)c(OC)c1 2296500395 OXNNXRAJRDPINE-UHFFFAOYSA-N 476.554 5.463 50 10 JKGE CCCCCCCC(O)(CCCCCCC)C(=O)NN(C(=O)C=Cc1ccccc1)c1ccccc1 2297209547 PQSZCIWHEBVPNJ-UHFFFAOYSA-N 492.704 7.216 50 10 JKGE CCOc1cc(C=C(C#N)c2ccc(C(=O)O)cc2)cc(Cl)c1OCc1ccc(F)cc1 2297379211 XBXIQFYKQFXOET-UHFFFAOYSA-N 451.881 6.219 50 10 JKGE Cc1ccc(NC(=O)C(C#N)=Cc2ccc(Oc3ccc(C(C)(C)C)cc3)c([N+](=O)[O-])c2)c(C)c1 2297382000 KSVOGNHSHSHZQN-UHFFFAOYSA-N 469.541 6.847 50 10 JKGE N#CC(=Cc1ccc(OCc2ccc(F)cc2)cc1)C(=O)Nc1ccc(Cl)cc1[N+](=O)[O-] 2297551325 APPJDTBZSVFKAI-UHFFFAOYSA-N 451.841 5.512 50 10 JKGE Cc1cc([N+](=O)[O-])ccc1NC(=O)C(C#N)=Cc1ccc(-c2ccc([N+](=O)[O-])cc2Br)o1 2297551463 LZLGURCPIMORQH-UHFFFAOYSA-N 497.261 5.380 50 10 JKGE CC1(C)C([C@@H](Br)c2cc(Br)ccc2OCc2ccccc2)C1(C)C 2299536148 WSOAWBFRVGFIGH-SFHVURJKSA-N 452.230 7.146 50 10 JKGE COCc1ccc([C@H](Br)c2cc(Br)c(Br)s2)s1 2299900517 ZFFAARYBZGOPGB-JTQLQIEISA-N 461.038 5.965 50 10 JKGE C=CCc1cc(C=C(C#N)C(=O)Nc2ccc(C)cc2)cc(OCC)c1OCc1ccccc1F 2313567229 DQWYWBKMZGJBFY-UHFFFAOYSA-N 470.544 6.386 50 10 JKGE Fc1cc(Cl)c(Br)c(Cl)c1[C@H](Cl)c1sncc1Br 2313744237 OBLSMONPKFQASJ-VIFPVBQESA-N 454.373 6.442 50 10 JKGE Brc1cc(OCc2ccccc2)ccc1[C@H](Br)[C@@H]1C[C@@H]2O[C@H]1[C@H]1C[C@@H]21 2314456281 VVQDKKVONHBDMF-OBQKJFGGSA-N 464.197 5.888 50 10 JKGE CNC(=O)C(C#N)=Cc1cn(-c2ccccc2)nc1-c1cccc(OCc2ccc(Cl)cc2)c1 2314478654 QCLHYKPAYVSFCM-UHFFFAOYSA-N 468.944 5.425 50 10 JKGE Cc1cc(Br)cc([C@@H](Cl)c2ccc(OCc3ccccc3)cc2Br)c1 2314494402 IPZYIXDMRBCDTK-OAQYLSRUSA-N 480.627 7.427 50 10 JKGE CC(C)([C@H](Br)c1ccc(OCc2ccccc2)cc1Br)[C@H]1CCCO1 2314503043 OLTCHEHHJFQZSX-WOJBJXKFSA-N 468.229 6.669 50 10 JKGE N#CC(=Cc1ccc2noc(-c3ccc(Cl)cc3)c2c1)C(=O)Nc1cc(Cl)ccc1Cl 2314572185 VNDNRHYLBQZKCG-UHFFFAOYSA-N 468.727 7.001 50 10 JKGE N#CC(=Cc1ccc(-c2c(Cl)cccc2Cl)o1)C(=O)Nc1ccc(OC(F)(F)F)cc1 2314572258 XBXIZNBJQDSVLM-UHFFFAOYSA-N 467.230 6.698 50 10 JKGE COc1ccc(CCN2C(=O)C(=Cc3ccc(-c4ccccc4Cl)o3)C(C)=C(C#N)C2=O)cc1 2314620371 OIXSMZHSKZIZCP-UHFFFAOYSA-N 472.928 5.444 50 10 JKGE COC(=O)c1c(-c2ccc3c(c2)CCCC3)csc1NC(=O)C(C#N)=Cc1ccc(Cl)cc1 2314793748 YXFMNZPALVIDGZ-UHFFFAOYSA-N 476.985 6.280 50 10 JKGE CC1(C)C[C@@H]1C[C@H](Br)c1c(Cl)cc(Br)c(F)c1Br 2315440205 PQTFJHQQBZJKOI-BQBZGAKWSA-N 463.410 6.876 50 10 JKGE COc1ccc([C@@H](C)NC(=O)C(C#N)=CNc2cc(C(F)(F)F)cc(C(F)(F)F)c2)cc1OC 2325045507 ODEITOIIZCUFNL-GFCCVEGCSA-N 487.400 5.438 50 10 JKGE Cn1c(C(C#N)=Cc2ccc(N3N=C(c4ccccc4)C[C@H]3c3ccccc3)cc2)nc2ccccc21 2331019705 NKVZRWVGENVPNM-HKBQPEDESA-N 479.587 6.993 50 10 JKGE N#CC(=C(O)C(=Cc1ccccc1)c1ccccc1)c1nc(-c2ccc3c(c2)CCCC3)cs1 2331239991 CXBXOLSTHVZNGW-UHFFFAOYSA-N 460.602 7.722 50 10 JKGE CCc1ccc(-c2csc(C(C#N)=C(O)c3cc(C(F)(F)F)cc(C(F)(F)F)c3)n2)cc1 2331245907 IHUDUJQCYKTANA-UHFFFAOYSA-N 468.422 7.360 50 10 JKGE CC[C@H](C)[C@@H](C(O)=C(C#N)c1nc(-c2ccc(F)cc2)cs1)N1C(=O)c2ccccc2C1=O 2331344412 LFBBLLMJLNCFND-QKKBWIMNSA-N 461.518 5.453 50 10 JKGE CCCCCCCOc1ccc(-c2csc(C(C#N)=C(O)C34CC5CC(CC(C5)C3)C4)n2)cc1 2331346081 YCVFCAYZGRDMCJ-UHFFFAOYSA-N 476.686 8.168 50 10 JKGE COc1c(C)cc(C)cc1-c1csc(C(C#N)=C(O)c2cccc(Oc3ccccc3)c2)n1 2331373316 ZDWGADZHIVNWOZ-UHFFFAOYSA-N 454.551 7.178 50 10 JKGE COc1ccc(-c2csc(C(C#N)=Cc3ccc(OCc4ccccc4C)cc3)n2)cc1C 2331429653 PGUBJKCZMCXVCB-UHFFFAOYSA-N 452.579 7.079 50 10 JKGE CCCOc1c(C=C(C#N)c2nc(-c3cc(C(C)C)c(OC)cc3C)cs2)cccc1OC 2331463488 MPSCXFPSRVLVFI-UHFFFAOYSA-N 462.615 7.112 50 10 JKGE COc1cc(C=C(C#N)c2nc(-c3ccc(OC)c(C)c3C)cs2)ccc1OC(=O)c1ccccc1 2331468302 ULIMGSLGXRYFQE-UHFFFAOYSA-N 496.588 6.728 50 10 JKGE Fc1cccc(Cl)c1C[C@@H](Cl)c1ccc(OCc2ccccc2)cc1Br 2336082070 XDVLUGMQNQVVBU-HXUWFJFHSA-N 454.166 7.343 50 10 JKGE CO[C@@H]1CC[C@@H]([C@@H](Br)c2c(Cl)cc(Br)c(F)c2Br)C1 2337084131 HXCCTYAQAIYMNY-OPVBNTEQSA-N 479.409 6.255 50 10 JKGE Fc1c(Br)cc(Cl)c([C@H](Br)CCC2CCCC2)c1Br 2337091521 BWQAQODSIRZKBK-SECBINFHSA-N 477.437 7.411 50 10 JKGE Brc1cc(Br)cc(CO[C@@H]2CCCCCC[C@H]2Br)c1 2337099141 UURYYGQNEAYORO-HUUCEWRRSA-N 455.028 6.215 50 10 JKGE Cn1nc(Br)c(Br)c1[C@H](Br)c1csc2ccccc12 2338859662 HPBJOZXFKAIJES-SNVBAGLBSA-N 465.008 5.644 50 10 JKGE Cc1cc(Br)c(F)c(Br)c1[C@H](Br)C[C@@H]1CCC1(F)F 2339690174 SPOXCSJZOUDENK-JGVFFNPUSA-N 464.945 6.531 50 10 JKGE Clc1ccc(CN2CC[C@@H]3C[C@@H](Br)CC[C@H]32)c(I)c1 2341049494 LNNHAVWIAPUKJK-IFUGULHKSA-N 454.577 5.083 50 10 JKGE C[C@H](OCc1cc(I)ccc1Br)c1nc(CCl)cs1 2341552174 LKJISZVBKDXDPG-QMMMGPOBSA-N 472.573 5.527 50 10 JKGE CC(C)(C)[C@@H]1CC[C@@H]1[C@@H](Br)Cc1cc(Br)cc(Br)c1 2343225149 WTIJCIYTMBOPRI-ZNMIVQPWSA-N 453.056 6.590 50 10 JKGE CCOc1ccc([C@H](Br)c2csc(C)c2Br)c(Br)c1 2343555756 HAPZGSRULPFHBR-AWEZNQCLSA-N 469.036 6.465 50 10 JKGE C[C@H](c1ccncc1F)[C@@H](Br)c1ccc(I)c(Br)c1 2344694932 HNTROSSERPJCGK-XLKFXECMSA-N 498.959 5.828 50 10 JKGE Clc1ccc(I)cc1CN1CC[C@H]2CC[C@H](Br)[C@H]1C2 2352412684 XLPLIXSIKPHQNS-RIEGTJTDSA-N 454.577 5.083 50 10 JKGE C[C@H](CBr)[C@@H]1CCCCN1Cc1cc(I)ccc1Cl 2352424568 VOFSZBXHAMZPRL-ABAIWWIYSA-N 456.593 5.330 50 10 JKGE Cc1cc(I)c(O[C@@H]2C[C@H](Br)[C@H]2OCC(C)C)cc1Cl 2361689035 HIIPHYRBTKBDLD-COLVAYQJSA-N 473.576 5.209 50 10 JKGE Fc1c(Br)cc(Cl)c([C@H](Br)C2CC3(C2)CC32CC2)c1Br 2362232602 PUMKFLHEFAQUQK-PSYFVYSPSA-N 487.432 7.020 50 10 JKGE Fc1ccc([C@@H](Cl)c2sc(Cl)cc2I)cc1C(F)(F)F 2363890965 FCCCPTBTUZTGID-SNVBAGLBSA-N 455.041 6.492 50 10 JKGE BrC[C@@]1(Cc2cc(Br)ccc2Br)C[C@H]2C=C[C@H]1CCC2 2363960827 AERLLCVUPLNOEB-MRRJBJDNSA-N 463.051 6.512 50 10 JKGE CCCN[C@H](c1c(C)cc(Br)c(F)c1Br)[C@H]1C[C@H](Br)C1 2365189804 YQHJGKWYIBGRMN-YHAQOWFVSA-N 472.034 5.873 50 10 JKGE COc1c(Br)cc(C)c([C@H](Br)C23CC(C)(CO2)C3)c1Br 2365221099 ZTJQKPPNWLTONA-NFOMZHRRSA-N 469.011 5.534 50 10 JKGE Cc1cc(Br)c(F)c(Br)c1[C@H](Br)[C@@H]1[C@H]2CCC(F)(F)[C@@H]21 2365222786 HAJGFPQOSUFSCD-MZSCQWGGSA-N 476.956 6.386 50 10 JKGE C[C@H]1CC2CC([C@@H](Br)c3c(Br)cc(Cl)c(Cl)c3Cl)(C2)O1 2368039874 OICHCIKHOOYNPY-LTCSMMJFSA-N 463.424 6.803 50 10 JKGE CCOc1ccccc1[C@@H]1C(C#N)=C2N=C(N)c3ccccc3N2C2=C1C(=O)C[C@H](c1ccccc1)C2 3654412 NPMRDHFNPGIAIE-PIIWDFAUSA-N 486.575 5.544 50 10 JKGE COc1ccc(/C=C\C(=O)Oc2ccc(/C=C(/C#N)c3ccc(Cl)cc3)cc2OC)cc1OC 33377652 AUZJLOJCLPFCBU-VKOLZNOUSA-N 475.928 6.049 50 10 JKGE Cc1cc(-c2nn(-c3ccccc3)cc2/C=C(\C#N)C(=O)NCc2ccco2)ccc1OC(C)C 33683131 CPYZOZNVDDNGHR-PXLXIMEGSA-N 466.541 5.451 50 10 JKGE C=CCN(C(=O)OC(C)(C)C)c1cc2c(c3ccccc13)[C@@H](CCl)CN2C(=O)OC(C)(C)C 36418992 VXSWABMVWUAOBI-KRWDZBQOSA-N 473.013 6.845 50 10 JKGE CCCOc1cccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4ccccc4OCCC)ccc32)c1 38684497 SJUKXZICECCEIT-HHHXNRCGSA-N 484.552 5.702 50 10 JKGE CCCCCOc1ccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4ccc(OCC)cc4)ccc32)cc1 38685381 NVXTVWGIRRXOQR-MUUNZHRXSA-N 498.579 6.092 50 10 JKGE CCCCOc1ccc(C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@H]3c2cccc([N+](=O)[O-])c2)cc1 40527369 ULSWMFPZQJKCJB-VWLOTQADSA-N 485.496 5.211 50 10 JKGE COc1ccc(Cl)cc1NC(=O)c1oc2c(c1C)/C(=N/NC(=O)c1cccc(Cl)c1)CCC2 40813277 GNCCIWSGHQIMDK-OGLMXYFKSA-N 486.355 5.626 50 10 JKGE CCOc1ccc(/C=C/C(=O)Oc2ccc(/C=C(\C#N)c3ccc(Cl)cc3)cc2OC)cc1 40864676 QHBVUXNRDKLIKK-JVPCBUBHSA-N 459.929 6.430 50 10 JKGE COc1cc(/C=C(\C#N)C(=O)NCc2ccco2)ccc1OC(=O)/C=C/c1ccc(C(C)C)cc1 40884557 GYSUMIDHRSYOCF-MEAVRSSMSA-N 470.525 5.254 50 10 JKGE O=C(N/N=C/c1cc(Br)ccc1OCc1cccc([N+](=O)[O-])c1)c1cc2ccccc2o1 59304738 QOOHHPUMDHRDSX-DHRITJCHSA-N 494.301 5.446 50 10 JKGE Cc1ccc(NC(=O)/C(C#N)=C\c2cc(Br)ccc2OCc2cccc([N+](=O)[O-])c2)cc1 59335796 TUWXAZFMIJSSQJ-UNOMPAQXSA-N 492.329 5.790 50 10 JKGE Fc1cc(Br)c(Cl)cc1[C@@H](Br)c1ccc(Br)c(Cl)c1 97896132 LCZVVFNJLKBKKZ-ZDUSSCGKSA-N 491.807 7.142 50 10 JKGE O=C(/C=C\c1cc(C(F)(F)F)ccc1Cl)NNC(=O)c1cc(-c2ccccn2)nc2ccccc12 97987750 XLKUZJJRIKCMPN-FLIBITNWSA-N 496.876 5.443 50 10 JKGE COc1c(Br)cc(Cl)cc1[C@@H](Br)c1ccc(F)cc1Br 109836370 AUTRONOQMGJUBN-ZDUSSCGKSA-N 487.388 6.497 50 10 JKGE Fc1cc([C@@H](Br)c2cc(Br)ccc2Br)c(F)cc1Cl 167713200 YUZBDYNDCKMQON-ZDUSSCGKSA-N 475.352 6.628 50 10 JKGE CCCCCOc1ccc(/C=C\C(=O)Oc2ccc(/C=C(\C#N)C(=O)OCC)cc2OC)cc1OC 206177887 NKNFQMGFLBUARC-KRTAVAKFSA-N 493.556 5.362 50 10 JKGE BrCCCCCCOc1c(Br)cc(Br)cc1Br 206652574 GXPNFBMTYUYFHR-UHFFFAOYSA-N 493.859 6.308 50 10 JKGE N#C/C(=C/Nc1ccccc1Sc1ccccc1)C(=O)Nc1ccc(Br)cc1 216781382 FDDZFIDEXXFEPX-NXVVXOECSA-N 450.361 6.058 50 10 JKGE N#C/C(=C/N1CCN(C(c2ccccc2)c2ccccc2)CC1)C(=O)Nc1ccc(Cl)cc1 217255336 CYVCPMBROZLRCF-ATJXCDBQSA-N 456.977 5.093 50 10 JKGE COc1ccc([C@H](Br)c2cccc(I)c2)c(OC)c1Cl 224653863 DZPQDXJFDZWFQR-CYBMUJFWSA-N 467.528 5.446 50 10 JKGE Fc1cc(Cl)c([C@H](Br)c2cc(Br)c(Br)s2)cc1F 231306704 BOYVLAXNCGOSQM-JTQLQIEISA-N 481.381 6.689 50 10 JKGE Fc1ccc([C@H](Cl)c2cc(Cl)c(Br)cc2F)c(I)c1 236263534 JBDAEKAPYPUKJJ-ZDUSSCGKSA-N 477.901 6.314 50 10 JKGE COc1cc(C=NNC(=O)c2cccc3ccccc23)ccc1OC(=O)/C=C/c1ccccc1 254295474 VTPFYPWXIXAYMP-OKJXZHNYSA-N 450.494 5.231 50 10 JKGE COc1ccc(Br)c([C@H]2CN(Cc3ccccc3)C[C@H]2CI)c1 382700922 YTPCBRMHNKSMGM-QAPCUYQASA-N 486.191 5.108 50 10 JKGE Cl[C@H](Cc1ccccc1Br)c1cc(I)cc2c1OCC2 692448058 IWJCNBXJHGPVCX-OAHLLOKOSA-N 463.540 5.511 50 10 JKGE O=C(N[C@@H]1c2ccccc2C[C@H]1Br)c1scc(Br)c1Br 707803967 BRGGHMOZJOTULT-BXKDBHETSA-N 480.019 5.064 50 10 JKGE C[C@@H](c1ccccn1)[C@H](Br)c1ccc(I)c(Br)c1 721580964 WJPMGZPFYTVXBS-XPTSAGLGSA-N 480.969 5.688 50 10 JKGE C=CCc1cc(/C=C(\C#N)C(=O)Nc2ccc(C)cc2)cc(OCC)c1OCc1ccc([N+](=O)[O-])cc1 1084035725 MWZINXIHPRMWSI-LFVJCYFKSA-N 497.551 6.155 50 10 JKGE C=CCc1cc(C=NNC(=O)c2cc3cc(Br)ccc3o2)cc(Br)c1O 1084098965 UEDYDMGUMMVXMG-UHFFFAOYSA-N 478.140 5.156 50 10 JKGE O=C(Cc1ccc(Cl)cc1)Nc1ccccc1C(=O)NN=Cc1ccc(F)c(Br)c1 1084623939 KXQURCJMKYNURB-UHFFFAOYSA-N 488.744 5.187 50 10 JKGE CC(C)(C)N(NC(=O)Nc1cc(C(F)(F)F)ccc1F)C(=O)c1cc(Cl)cc(Cl)c1 1088670978 UZGZVAVEDULIOE-UHFFFAOYSA-N 466.262 6.129 50 10 JKGE COc1cc(C(=O)Nc2ccc(/C(C#N)=C/c3ccc(Cl)c(Cl)c3)cc2)cc(OC)c1OC 1088697363 COJAIHBCFQXXCD-VCHYOVAHSA-N 483.351 6.336 50 10 JKGE ClCc1cc(-c2cccc(I)c2)nn1-c1ccc(Cl)c(Cl)c1 1614820914 KVZKRTXZNUXPNB-UHFFFAOYSA-N 463.533 6.190 50 10 JKGE Cc1c(C(=O)NN(c2ccccc2)c2ccccc2)oc2c1C(=NNc1ccc([N+](=O)[O-])cc1)CCC2 1772747405 LDNLYCZWHGZPBP-UHFFFAOYSA-N 495.539 6.132 50 10 JKGE CCOc1ccc(C=NNC(=O)COc2cc(C)c(Br)cc2C(C)C)cc1OCC 1772753765 HWZQRMHPJITIME-UHFFFAOYSA-N 477.399 5.207 50 10 JKGE COc1cccc([C@H]2C(C#N)=C(N)Oc3c2c(-c2ccccc2)nn3Cc2cccc(Cl)c2)c1O 1865683635 GRUSMPMUOQSIJL-QFIPXVFZSA-N 484.943 5.184 50 10 JKGE COc1ccc(-c2nn(-c3ccccc3Cl)c3c2[C@H](c2cc(C)ccc2O)C(C#N)=C(N)O3)cc1 1865687480 SETYTIYOOIGRIW-HSZRJFAPSA-N 484.943 5.434 50 10 JKGE CCCc1nn(Cc2ccccc2Cl)c2c1[C@H](c1cccc(OC)c1OCC)C(C#N)=C(N)O2 1865692454 GCJVGCMIBUJEFC-JOCHJYFZSA-N 478.980 5.163 50 10 JKGE CCCOc1cccc([C@@H]2C(C#N)=C(N)Oc3c2c(CC)nn3Cc2ccc(Cl)c(Cl)c2)c1 1865693487 JYSRFGCMMPGSJP-JOCHJYFZSA-N 483.399 5.808 50 10 JKGE CCOc1ccc([C@@H]2C(C#N)=C(N)Oc3c2c(-c2ccccc2)nn3-c2ccccc2)cc1OC 1865694765 AYBBXCOWCPQWDE-XMMPIXPASA-N 464.525 5.165 50 10 JKGE CCCc1nn(Cc2cccc(F)c2)c2c1[C@H](c1ccc(Br)cc1)C(C#N)=C(N)O2 1865715093 VYICAJFPBAJNRB-HXUWFJFHSA-N 467.342 5.004 50 10 JKGE Cc1nc(-c2ccc(Cl)cc2Cl)ccc1C(=O)N/N=C\c1ccc(Br)cc1F 1865760515 BFBPHEYDFAOXJT-MRUKODCESA-N 481.152 6.029 50 10 JKGE COc1ccc([C@H](CC(=O)NCC(=O)Nc2ccc(SC#N)cc2)c2ccccc2)cc1Cl 1868160311 VQTZVIOYFCMVRN-OAQYLSRUSA-N 479.989 5.199 50 10 JKGE CC(C)[C@@H]1c2ccccc2CCN1c1cc(Nc2ccc(SC#N)cc2)nc(-c2cccnc2)n1 1868565093 HQDNIFUQTVBEGQ-HHHXNRCGSA-N 478.625 6.615 50 10 JKGE CCCCCCCCCOc1ccc(/C=C(\C#N)c2cc3c(cc2[N+](=O)[O-])OCCO3)c(Cl)c1 1872728586 KKYZYVPPOZUWBA-XSFVSMFZSA-N 484.980 7.213 50 10 JKGE CCc1cccc(C)c1N1C[C@H](/C(O)=C(\C#N)c2nc(-c3ccc(C)cc3C)cs2)CC1=O 1872749063 ZUVSSXHXUGGWGR-NTKFOSSBSA-N 457.599 6.144 50 10 JKGE CCCCc1ccc(N2C[C@H](/C(O)=C(\C#N)c3nc(-c4ccc5c(c4)OCO5)cs3)CC2=O)cc1 1872752828 UZGVMZZBIAFDJF-LDIFMVGESA-N 487.581 5.727 50 10 JKGE CCCCOc1ccc(/C(O)=C(\C#N)c2nc(-c3cc(C)cc(C)c3OC)cs2)cc1OCC 1872754753 HEHOSXBMLRCYNK-DAFNUICNSA-N 478.614 6.963 50 10 JKGE CCCCc1ccc(-c2csc(/C(C#N)=C/c3cc(Br)c(O)c(OCC)c3)n2)cc1 1872781801 RTGJJIREMVKPAH-YBFXNURJSA-N 483.431 7.084 50 10 JKGE COc1ccc(OC/C(O)=C(\C#N)c2nc(-c3cccc([N+](=O)[O-])c3)cs2)c(C(C)(C)C)c1 1873940935 OBSPKOHWGISHOL-UZYVYHOESA-N 465.531 5.896 50 10 JKGE BrCc1cc(Br)c(OC[C@]23CCCC[C@@H]2C3)c(Br)c1 1880373384 APTYPRIQWZTNKX-IAQYHMDHSA-N 453.012 6.066 50 10 JKGE CCN(c1ccc(Br)cc1CBr)[C@@H]1CCN(Cc2ccccc2)C1 1915068114 SSNVNRQKGVDPFH-LJQANCHMSA-N 452.234 5.445 50 10 JKGE CC(C)[C@@H](CBr)N(Cc1ccccc1)S(=O)(=O)c1sccc1Br 1915292266 XQPQCACYDPJOMO-OAHLLOKOSA-N 481.275 5.121 50 10 JKGE O=C(c1ccc(Br)cc1Cl)N(Cc1ccccc1)[C@H](CBr)C1CC1 1915315307 VJFITXJSSVYGAI-GOSISDBHSA-N 471.620 5.918 50 10 JKGE CCCCCCCCCCC[C@H](Br)c1sc(Br)cc1Br 1922890586 FHRPPARKFJAQJL-ZDUSSCGKSA-N 489.155 8.630 50 10 JKGE Fc1cccc(Br)c1[C@H](Cl)c1c(Br)sc(Br)c1Cl 1923037792 FRYYYAKZLIPWSR-QMMMGPOBSA-N 497.836 7.156 50 10 JKGE COc1ccsc1[C@@H](Br)c1c(Br)sc(Br)c1Cl 1923047179 AWZYLFHXNYNKQF-LURJTMIESA-N 481.456 6.481 50 10 JKGE CCCC(CCC)[C@H](Br)c1c(Br)sc(Br)c1Cl 1923050097 QARRNCIBJQOATN-VIFPVBQESA-N 467.492 7.579 50 10 JKGE Brc1cnccc1C[C@H](Br)c1csc(I)c1 1924038955 HBCRRENFEOMTEX-VIFPVBQESA-N 472.971 5.189 50 10 JKGE CC[C@@H](C[C@H](Cl)c1c(Br)sc(Br)c1Br)C(C)(C)C 1924614309 XMNWTYZPKYTWBP-YUMQZZPRSA-N 481.519 7.778 50 10 JKGE CN(CCN(Cc1ccccc1)c1ccc(CBr)c(Cl)c1)Cc1ccccc1 1931965871 SUVMAJGVVJIKPR-UHFFFAOYSA-N 457.843 6.374 50 10 JKGE Brc1cccc(C[C@@H](Br)c2cscc2OCc2ccccc2)c1 1939522677 VSEURPZQODYQEP-GOSISDBHSA-N 452.211 6.768 50 10 JKGE Brc1ccc([C@H](Br)c2c(Br)cccc2Br)cc1 1945321867 JCRSCRJTGRMNKO-ZDUSSCGKSA-N 483.823 6.458 50 10 JKGE Cc1csc([C@@H](Br)c2c(Br)sc(C)c2C)c1Br 2024029895 ZXAMOJIMGQJIOV-JTQLQIEISA-N 459.066 6.744 50 10 JKGE C[C@@H](Br)C[C@H]1CCCN1C(=O)c1csc(Br)c1Br 2032953846 RGNAHEPCWJDKFE-HTQZYQBOSA-N 460.029 5.051 50 10 JKGE CC1(C)CCC[C@H]([C@@H](Br)c2cc(Br)c(Br)s2)CC1 2039363169 NQSKZKLYYJDORJ-JOYOIKCWSA-N 459.085 7.316 50 10 JKGE CC[C@@H](C)N(Cc1ccccc1)S(=O)(=O)c1cc(CBr)cc(C)c1Br 2059286562 NDXLRSFGLJIWJP-OAHLLOKOSA-N 489.273 5.642 50 10 JKGE CCCN[C@H](c1sc(Br)c(C)c1Br)[C@H]1C[C@H](Br)C1 2076188284 KFXMWEFKXJCHGX-QXEWZRGKSA-N 460.073 5.796 50 10 JKGE Brc1cc([C@H](Br)[C@@H]2C[C@@H]2C2CCCCC2)sc1Br 2079383234 BWCLRBJEDFAZSV-GIPNMCIBSA-N 457.069 6.926 50 10 JKGE Cc1c(Br)ccc([C@H](Br)C(C)(C)C(F)(F)F)c1Br 2083316987 BGVGDVMFEDWBHQ-JTQLQIEISA-N 452.934 6.545 50 10 JKGE Cc1cc(Br)ccc1S(=O)(=O)N(Cc1ccccc1)[C@H](CBr)C1CC1 2085729874 FUWUYAIBKZJMRE-GOSISDBHSA-N 487.257 5.122 50 10 JKGE Cc1cc([C@H](Br)c2c(Br)cc(F)c(F)c2F)c(Br)s1 2101000670 GZBXHQUVGXSGTE-VIFPVBQESA-N 478.953 6.483 50 10 JKGE O=C(NC[C@@H]1CCCC[C@@H](Br)C1)c1cc(Br)c(Br)s1 2107481058 NSXPWUZMAZCBPU-RKDXNWHRSA-N 474.056 5.347 50 10 JKGE FC(F)(F)c1cc(Br)cc([C@H](Br)c2ccc(Br)s2)c1 2115770441 AZJPVYSKUSEMCC-NSHDSACASA-N 478.953 6.776 50 10 JKGE CN(Cc1cccc(Br)c1Br)[C@@H]1CCCCC[C@@H]1Br 2115913467 GIQFXGDGWBVBFH-GXTWGEPZSA-N 454.044 5.740 50 10 JKGE Cc1cc(Br)c(CBr)c(N2CCCC[C@@H](N(C)Cc3ccccc3)C2)c1 2116825993 MBZOTWSXOXUDGB-LJQANCHMSA-N 480.288 6.143 50 10 JKGE O=C(c1scc(Br)c1Br)N1C[C@@H](Br)CCC12CCC2 2117886411 HWZLYDGYICNLLY-QMMMGPOBSA-N 472.040 5.195 50 10 JKGE CO[C@]1(C(F)(F)F)C[C@H]([C@H](Br)c2cc(Br)c(Br)s2)C1 2125551257 INAWPZKXBHFASR-BUMCKTDNSA-N 486.973 6.067 50 10 JKGE C[C@H](Cl)CCc1cn(-c2cc(Br)c(Br)c(Br)c2)nn1 2132764143 PFLJHPCBNHFUKB-ZETCQYMHSA-N 472.406 5.115 50 10 JKGE Cc1c(Br)ccc([C@H](Br)C2CCCCCCC2)c1Br 2138875991 LHULUKSCSZFJEN-MRXNPFEDSA-N 453.056 7.317 50 10 JKGE Cc1cccc(COc2c(F)cc(Br)cc2CBr)c1Br 2144186062 GVFFEIJLVLITLZ-UHFFFAOYSA-N 466.970 6.133 50 10 JKGE COc1c(C)cc(Br)c(C)c1[C@@H](Br)c1cc(Br)n(C)n1 2150479301 VDCZDCLVKZFFGO-ZDUSSCGKSA-N 466.999 5.055 50 10 JKGE CC1(C)CN(Cc2ccccc2)C[C@H]1n1c(CCl)nc2cc(Br)c(Cl)cc21 2159864847 OWGLPURTWRGNST-LJQANCHMSA-N 467.238 6.274 50 10 JKGE Brc1cccc(Br)c1O[C@@H]1C[C@H](Br)[C@]12CCCC21CC1 2173658913 LOJDFSKPHOICSK-WOSRLPQWSA-N 465.023 6.077 50 10 JKGE Br[C@@H](c1cccc(I)c1)c1ccc(-c2ccccc2)s1 2206123987 DZLVQSXZRSDAQN-KRWDZBQOSA-N 455.158 6.504 50 10 JKGE Cc1c(Br)sc([C@@H](Br)c2c(F)cccc2Br)c1C 2218788381 CONUPFXNKFUVLI-NSHDSACASA-N 457.000 6.513 50 10 JKGE Cc1cc(Br)c([C@H](Cl)c2csc(Br)c2)c(C)c1Br 2220151009 FEZQNKWVGKNQGM-CYBMUJFWSA-N 473.455 6.981 50 10 JKGE Cl[C@@H]1C[C@@H](c2sc(Br)c(Br)c2Br)CC2(CCC2)C1 2222451303 YZLPEPVQIGKRRY-HTQZYQBOSA-N 477.487 7.081 50 10 JKGE Fc1cc(Br)c(Br)cc1[C@H](Br)[C@H]1CCCCC1(F)F 2225617821 RUJCQOSMDAKKAS-PELKAZGASA-N 464.945 6.612 50 10 JKGE COC[C@@]1([C@H](Br)c2c(Br)cc(Cl)c(Cl)c2Cl)CCCO1 2232529572 MGVQYXJQYZMJMX-CHWSQXEVSA-N 467.412 6.041 50 10 JKGE CN(CCCCCn1c(CCl)nc2c(F)cc(Br)cc21)Cc1ccccc1 2232925610 AESMXEBDLOHQOL-UHFFFAOYSA-N 452.799 5.979 50 10 JKGE CCOCc1cc(Br)c([C@H](Br)c2cccc(Cl)c2Cl)s1 2233019222 SLPOCNIOBUJORX-GFCCVEGCSA-N 459.030 6.838 50 10 JKGE Fc1cc(Br)c(Br)cc1[C@@H](Br)c1ccc(C(F)F)cc1 2233975945 MLFFUHJDCKFEHI-ZDUSSCGKSA-N 472.924 6.773 50 10 JKGE Cc1cccc([C@H](Br)c2ccc3c(c2Br)CCO3)c1Br 2238076805 NVTDURCZNBDQHF-INIZCTEOSA-N 460.991 5.939 50 10 JKGE Cc1sc([C@H](Br)c2scc(Br)c2Cl)c(Br)c1C 2246464458 CMICLVJFSXMCGD-QMMMGPOBSA-N 479.484 7.089 50 10 JKGE Cc1cc(Br)sc1[C@@H](Br)c1cccc(Cl)c1Br 2248098875 XCIPZOSDCPRTLO-NSHDSACASA-N 459.428 6.719 50 10 JKGE Fc1cc(Cl)c(Br)cc1[C@H](Cl)c1scc(Br)c1Cl 2253604830 ZPMSHWHKIPLJHF-VIFPVBQESA-N 453.385 7.047 50 10 JKGE Cn1nc([C@@H](Cl)Cc2cc(Br)cc(Br)c2)cc1Br 2263506965 AMFPKNKHKWDAIU-JTQLQIEISA-N 457.391 5.230 50 10 JKGE Cc1cc(Cl)c(Cl)cc1[C@H](Br)c1cccc(F)c1I 2264372594 ALDOJVMRAJANER-CYBMUJFWSA-N 473.938 6.530 50 10 JKGE Clc1ccc([C@@H](Br)Cc2c(Cl)cccc2Cl)cc1I 2268322789 ILFLMVYWFWZCKJ-JTQLQIEISA-N 490.393 6.930 50 10 JKGE COc1ccc([C@@H](Cl)c2ccc(Cl)cc2Br)cc1I 2269544857 PSEZFDGVMUCIDW-CQSZACIVSA-N 471.947 6.044 50 10 JKGE Fc1cc(Cl)c([C@H](Br)Cc2ncccc2Br)cc1Br 2270435884 BIHCTPHRPNZQNO-SECBINFHSA-N 472.377 6.078 50 10 JKGE COc1c(Br)cc(Cl)c(C)c1[C@@H](Br)c1csnc1Br 2277885156 VSUYQMLOCSOUNG-JTQLQIEISA-N 490.442 6.123 50 10 JKGE COc1c(Br)cc(Cl)c(C)c1[C@H](Cl)c1csc(I)c1 2277894696 UPTIPNUQLVHPGK-GFCCVEGCSA-N 492.003 6.414 50 10 JKGE COc1c(Br)cc(Cl)cc1[C@@H](Br)c1sc(C)cc1Br 2277990898 PUGPSWBQZOBCJF-LLVKDONJSA-N 489.454 6.728 50 10 JKGE Cc1cc(Br)c([C@@H](Br)c2ccc(Br)cc2F)c(C)c1F 2279146230 HRLRFEMJSFAWHR-AWEZNQCLSA-N 468.961 6.591 50 10 JKGE C[C@@H]1CCC[C@H]([C@H](Br)c2c(F)cc(Br)c(F)c2Br)CC1 2288343711 AUMVMPGCVQRUQS-ZDMBXUJBSA-N 475.009 7.142 50 10 JKGE Fc1cc(Br)c(F)c(Br)c1[C@@H](Br)CC1CC(C(F)F)C1 2288348409 FEHUNGBZNNSQJQ-AHXFUIDQSA-N 482.935 6.607 50 10 JKGE Cc1ccc(F)cc1[C@@H](Br)c1c(F)cc(Br)c(F)c1Br 2288374591 VFOODORKMJYODI-GFCCVEGCSA-N 472.924 6.422 50 10 JKGE CC(=O)Nc1sc(C(C#N)=Cc2ccc(I)cc2)nc1-c1ccc(C)cc1 2296540336 VGHCZKDPSAEIPZ-UHFFFAOYSA-N 485.350 5.746 50 10 JKGE FC(F)(F)C(F)(F)[C@H](Br)c1ccc(OCc2ccccc2)cc1Br 2299498903 WMBOJXHEZOVHLK-CQSZACIVSA-N 474.061 6.662 50 10 JKGE Brc1cc(OCc2ccccc2)ccc1[C@@H](Br)CC[C@@H]1CCOC1 2299502852 ACARYLVSPQBYIK-APWZRJJASA-N 454.202 6.281 50 10 JKGE Cc1cccc(NC(=O)C(C#N)=Cc2ccc(OCc3ccccc3C#N)c(Br)c2)c1 2313510968 GVTGAIXEKPOSQO-UHFFFAOYSA-N 472.342 5.754 50 10 JKGE Cc1cccc(NC(=O)C(C#N)=Cc2cn(Cc3ccc(Cl)cc3Cl)c3ccccc23)c1 2313540894 AJKOPVVUQRUGDD-UHFFFAOYSA-N 460.364 6.851 50 10 JKGE COc1cc(C=C(C#N)C(=O)Nc2cccc(Cl)c2)ccc1OCc1ccc(Cl)cc1Cl 2313631507 RDMYYWFHBGHHMV-UHFFFAOYSA-N 487.770 6.780 50 10 JKGE N#CC(=Cc1ccc(OC(=O)c2ccc(Cl)cc2Cl)cc1)C(=O)Nc1cccc(Cl)c1 2313631698 UNSWFBNMDCYHKV-UHFFFAOYSA-N 471.727 6.412 50 10 JKGE C[C@H](NC(=O)C(C#N)=Cc1cc(Br)ccc1OCc1cccc(F)c1)c1ccccc1 2313671201 PXERVMGCPDCAGY-KRWDZBQOSA-N 479.349 5.952 50 10 JKGE Fc1cc(Cl)c(Br)c(Cl)c1[C@H](Cl)c1csc(Br)c1 2313815702 GHQYCXHNNCFENJ-SNVBAGLBSA-N 453.385 7.047 50 10 JKGE Brc1cc(OCc2ccccc2)ccc1[C@H](Br)[C@H]1C[C@@H]1C1CCCC1 2314443417 GOJAGXQFQRJNHR-URVUXULASA-N 464.241 7.290 50 10 JKGE CCSc1ccc(-c2nn(-c3ccccc3)cc2C=C2C(=O)N(CC(C)C)C(=O)C(C#N)=C2C)cc1 2314610125 CVXLNBXIHVTSBJ-UHFFFAOYSA-N 496.636 5.900 50 10 JKGE CCOC(=O)C(C#N)=Cc1ccc(OC(=O)CCCOc2ccc(C(C)C)cc2)c(OC)c1 2314773873 HFACKIJNTCPMMJ-UHFFFAOYSA-N 451.519 5.053 50 10 JKGE Cn1nc(Br)c(Br)c1[C@H](Cl)c1c(Cl)sc(Cl)c1Cl 2316727170 UEHPAKAHIKOVIW-SCSAIBSYSA-N 473.832 6.295 50 10 JKGE COc1ccc(C[C@@H](Br)c2ccc(Br)s2)c(Br)c1 2316850649 DFTBYJRAMMPIOI-LLVKDONJSA-N 455.009 5.960 50 10 JKGE Cc1cc(Cl)c([C@H](Cl)c2sc(Cl)cc2I)c(Cl)c1 2327896323 OAUDRSJJQNPUSK-NSHDSACASA-N 451.971 6.950 50 10 JKGE CC(C)[C@H](NC(=O)OC(C)(C)C)C(=O)NN=Cc1ccc(OCc2c(Cl)cccc2Cl)cc1 2328833319 SJTKUOJKZCSELK-NRFANRHFSA-N 494.419 5.572 50 10 JKGE CCOc1cc(NC(=O)c2ccccc2)c(OCC)cc1NC(=O)C(C#N)=Cc1ccc(C)cc1 2329629230 OLQVZLKFNSDOGS-UHFFFAOYSA-N 469.541 5.590 50 10 JKGE COCCCN1C(=O)c2ccc(C(O)=C(C#N)c3nc(-c4ccccc4Cl)cs3)cc2C1=O 2331265867 JPPVRWHYKQYCIM-UHFFFAOYSA-N 479.945 5.046 50 10 JKGE CCOc1ccc(-c2csc(C(C#N)=C(O)c3ccc4c(c3)C(=O)N([C@@H](C)CC)C4=O)n2)cc1 2331305272 LAFLUFBEPFMFCY-HNNXBMFYSA-N 473.554 5.553 50 10 JKGE Cc1cc(-c2csc(C(C#N)=C(O)C=Cc3ccc(OCc4ccccc4)cc3)n2)ccc1F 2331320573 HKLVVMXTVGAIOZ-UHFFFAOYSA-N 468.553 7.343 50 10 JKGE CCCC1CCC([C@@H](Br)c2ccc(OCc3ccccc3)cc2Br)CC1 2336043869 JBYPXBMHKSUPAY-MCSCQSGASA-N 480.284 8.071 50 10 JKGE C[C@@]1([C@@H](Br)c2cc(Br)ccc2OCc2ccccc2)CCCCC1(F)F 2336055470 AFOJIWSFSKXCTG-PMACEKPBSA-N 488.210 7.680 50 10 JKGE COC1CC2(C1)CC([C@@H](Br)c1cc(Br)ccc1OCc1ccccc1)C2 2336077112 FLFUILQDEJQFQK-FREUEGFCSA-N 480.240 6.669 50 10 JKGE Fc1c(Br)cc(Cl)c([C@@H](Br)[C@H]2[C@H]3[C@H]4C[C@@H]2C[C@H]43)c1Br 2337106115 FFBCCWCTJAHZCO-SFEUVAISSA-N 473.405 6.342 50 10 JKGE Clc1ccc([C@@H](Cl)Cc2ccc(Br)cc2Cl)c(I)c1 2340057808 LHCTZGUNTYNMDQ-ZDUSSCGKSA-N 490.393 6.883 50 10 JKGE COc1ccc([C@@H](Br)c2ccc(Cl)cc2I)cc1F 2340064910 SCOWKYXITWQGBT-CQSZACIVSA-N 455.492 5.577 50 10 JKGE FC(F)(F)c1ccc(C(F)(F)F)c(CC[C@@H](Br)COCc2ccccc2)c1 2362126822 CHNSYFUGUWHXFQ-MRXNPFEDSA-N 455.236 6.637 50 10 JKGE Fc1c(Br)cc(Cl)c([C@@H](Cl)CCOCC(F)(F)F)c1Br 2362224253 KRKVWKSICJURPL-LURJTMIESA-N 462.890 6.253 50 10 JKGE Fc1c(Br)cc(Cl)c([C@H](Br)C2CC3(CC(F)C3)C2)c1Br 2362233776 CVAMCXYSVWEWLY-VHDPVDNTSA-N 493.411 6.968 50 10 JKGE COc1c(Br)cc(C)c([C@@H](Br)[C@@H]2CC(C)(C)CO2)c1Br 2365215503 KZUJNTCFRGHLLV-JQWIXIFHSA-N 471.027 5.780 50 10 JKGE CN(CC[C@H](Br)c1cccs1)Cc1ccc(Cl)c(I)c1 2366187626 IJHLUOJFMOOKLA-LBPRGKRZSA-N 484.628 5.964 50 10 JKGE O=C(NC1CCCCC1)[C@H](c1cccc(Br)c1)N(CCc1ccccc1)C(=O)CCl 3040248 YKJCEVAALQWCCU-QHCPKHFHSA-N 491.857 5.249 50 10 JKGE O=C(N/N=C/c1ccc(Br)cc1)/C(=C\c1cccs1)NC(=O)c1ccccc1Cl 3166640 WCPZHJKHRCFHCL-ZOXVAVCCSA-N 488.794 5.085 50 10 JKGE CC[C@H](Oc1ccc(-c2ccccc2)cc1)C(=O)NNC(=O)c1sc2ccccc2c1Cl 14768498 SCKXOJZJCSSXGF-FQEVSTJZSA-N 464.974 5.840 50 10 JKGE O=C(CCCSc1nc2ccc([N+](=O)[O-])cc2s1)N/N=C/c1c(O)ccc2ccccc12 20806605 VAHMYJSEXFWUSS-YDZHTSKRSA-N 466.544 5.086 50 10 JKGE CCCCC1CCC(C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@H]3c2ccccc2OCC)CC1 38687471 ZLEXMMWMOZLHPH-IRQSHYTFSA-N 474.601 6.205 50 10 JKGE COc1ccccc1C(=O)Oc1ccc2c(c1)OC(N)=C(C#N)[C@H]2c1cccc(OCCC(C)C)c1 40529979 SOIKTLXHDPQOOD-MHZLTWQESA-N 484.552 5.557 50 10 JKGE COc1ccc(C(=O)Oc2ccc(/C=C(/C#N)C(=O)Nc3cc(Cl)ccc3Cl)cc2OC)cc1 59117403 ZULVMWJANBFMIC-BOPFTXTBSA-N 497.334 5.775 50 10 JKGE COc1cccc(/C(CSc2nc3ccccc3o2)=N\NC(=O)c2ccccc2Cl)c1 59460722 AKHVOBVLPOWQLJ-QOMWVZHYSA-N 451.935 5.416 50 10 JKGE COc1ccccc1C(=O)N/N=C\c1ccc(Oc2ccc(C(F)(F)F)cc2[N+](=O)[O-])cc1 59462951 RZNHDMCRRWBIDV-ZMFRSBBQSA-N 459.380 5.178 50 10 JKGE O=Cc1ccc(N(c2ccc(C=O)cc2)c2ccc(OCCCCCCBr)cc2)cc1 90627802 KMFQLNHHXAHWCO-UHFFFAOYSA-N 480.402 7.116 50 10 JKGE CC1=C(C#N)C(=O)N(Cc2cccnc2)C(=O)/C1=C/c1ccc(-c2ccc(Cl)c(Cl)c2)o1 101336563 SFCKDBAHHOPJER-VCHYOVAHSA-N 464.308 5.441 50 10 JKGE CC(=O)c1ccc(-c2ccc(/C=C3/C(=O)N(Cc4ccc(F)cc4)C(=O)C(C#N)=C3C)o2)cc1 101340588 URKCJBOWEATDFA-YDZHTSKRSA-N 454.457 5.081 50 10 JKGE COc1ccc(-c2nn(-c3ccccc3)cc2/C=C(/C#N)c2nc3ccccc3n2C)cc1[N+](=O)[O-] 102843445 JQQACOYTGOBOEI-RGEXLXHISA-N 476.496 5.407 50 10 JKGE COc1ccc(/C=C(\C#N)c2nc(-c3cc4cc(Cl)cc(Cl)c4oc3=O)cs2)cc1 104975121 HQSYWPHHCCCWDV-MKMNVTDBSA-N 455.322 6.296 50 10 JKGE Cc1ccccc1C(CBr)(CBr)Cc1ccc(F)c(Br)c1 118877044 MBLGVCSGCRNGRN-UHFFFAOYSA-N 479.025 6.167 50 10 JKGE CC(C)CCC[C@H](C)[C@H]1CC[C@H]2[C@@H]3CC=C4C[C@H](OC(=O)CCCCl)CC[C@]4(C)[C@H]3CC[C@@]21C 118920360 FWOCLQPBUVEXDS-GDQQGAEBSA-N 491.200 8.959 50 10 JKGE CC(C)(C)OC(=O)Nc1cc([C@@H](Br)C(=O)c2cccc(Br)c2)ccn1 148221896 YNODHWCKUKIPBE-OAHLLOKOSA-N 470.161 5.510 50 10 JKGE C[C@@](CI)(OCc1cccc(Cl)c1)c1ccccc1Br 162431315 GIZSMEVTWHTWAE-INIZCTEOSA-N 465.556 5.970 50 10 JKGE Fc1cccc([C@@H](Br)c2cc(Br)c(Br)s2)c1Cl 165462044 GQCXKPXACNORMT-SECBINFHSA-N 463.391 6.550 50 10 JKGE CCOc1cc(/C=N\NC(=O)c2ccc(N)cc2)ccc1OCc1ccc(Cl)cc1Cl 169900190 UUQOMDMEIXDPOK-WKIKZPBSSA-N 458.345 5.317 50 10 JKGE CCCCCCCCCOc1ccc(/C=N\NC(=O)Cc2ccc(Cl)cc2)cc1OCC 169901796 GTCMLUFOQDSJQU-RRAHZORUSA-N 459.030 6.561 50 10 JKGE CC[C@H](NC(=O)/C(C#N)=C\N[C@H](CC)c1ccc2c(c1)CCCC2)c1ccc2c(c1)CCCC2 217189489 HDNBQYVFMLDCJF-XUOPDSGOSA-N 455.646 6.160 50 10 JKGE Fc1cc(Br)ccc1[C@@H](Br)c1cc(Br)cc2c1OCC2 228445005 JGGLWWJDCZKPTB-CQSZACIVSA-N 464.954 5.770 50 10 JKGE CC(C)Oc1ccccc1C(=O)NN=Cc1ccccc1OCc1cccc(Br)c1 252487417 XHSGDQJUWIZXMN-UHFFFAOYSA-N 467.363 5.579 50 10 JKGE CCCCCCCCCCCC(=O)NCC(=O)NN=Cc1ccc(OC(=O)c2ccccc2F)cc1 254312446 VDSIONUWYJJLGM-UHFFFAOYSA-N 497.611 5.532 50 10 JKGE COc1ccc([C@H](Br)c2cc(I)ccc2Br)s1 384018846 QUXILSJABFUHQT-GFCCVEGCSA-N 487.982 5.608 50 10 JKGE CC(C)(C)OC(=O)NCCN1CCO[C@H](c2ccc(CCO[Si](C)(C)C(C)(C)C)cc2)CC1 616665722 VGGMXBSHDBWDJP-QHCPKHFHSA-N 478.750 5.539 50 10 JKGE CC(C)c1cccc(C(C)C)c1/N=C1\CCCCC[C@@H]1P(c1ccccc1)c1ccccc1 642814453 YVPAXBNOSCZYOC-ONLUTYIHSA-N 455.626 8.472 50 10 JKGE Cc1ccc([C@H](Cl)c2ccc(F)cc2I)c(C)c1Br 719579758 ZHSZEUZCSOOKFH-HNNXBMFYSA-N 453.520 6.138 50 10 JKGE Cc1cc([C@H](Br)c2cc(Br)cc3c2O[C@@H](C)C3)sc1Br 720054242 UGEZIEJTKJUBDM-ISVAXAHUSA-N 481.047 6.389 50 10 JKGE C=CCc1cc(C=NNC(=O)CC[C@@H](O)c2ccccc2)cc(OCC)c1OCc1ccccc1C#N 725411912 XLONIPMJFRDENG-HHHXNRCGSA-N 497.595 5.228 50 10 JKGE Cc1cccc(NC(=O)/C(C#N)=C\c2cc(Cl)ccc2OCc2ccc(Cl)cc2)c1C 1084220337 LDYAUPXPVJGPLK-NDENLUEZSA-N 451.353 6.735 50 10 JKGE Cc1ccc(-c2ccccc2)n1-c1ccc(C(=O)NN=Cc2ccc(N3CCCCC3)o2)cc1 1084403683 VZNPQKNDUFPPTJ-UHFFFAOYSA-N 452.558 5.800 50 10 JKGE Cc1ccc(-c2ccccc2)n1-c1ccc(C(=O)NN=Cc2cc(C)n(-c3ccc(F)cc3)c2C)cc1 1084545874 JKLWAAJZFJEURD-UHFFFAOYSA-N 490.582 6.763 50 10 JKGE Cc1cc(Br)cc(Br)c1OCC(=O)NN=Cc1c(Cl)cccc1Cl 1084632520 SLHDXPPJXLUOPY-UHFFFAOYSA-N 494.998 5.356 50 10 JKGE N#CC1=NN(c2ccccc2)[C@H](c2ccccc2)C2=C1OC(N)=C(C#N)[C@H]2c1ccc(Cl)cc1 1088661212 CRHMSTKONUBSTK-ILBGXUMGSA-N 463.928 5.543 50 10 JKGE Cc1cccc(NC(=O)c2oc3c(c2C)C(=NNC(=O)c2ccc(Cl)cc2Cl)CCC3)c1 1772747916 LUULCBOUUZDVJV-UHFFFAOYSA-N 470.356 5.926 50 10 JKGE CC(C)(C)c1cc(Br)ccc1OCC(=O)NN=Cc1ccc(Cl)cc1Cl 1772753990 HIUAOUSRTIDMOZ-UHFFFAOYSA-N 458.183 5.583 50 10 JKGE N#CC1=C(N)Oc2c(c(-c3ccccc3)nn2-c2ccccc2Cl)[C@@H]1c1c(F)cccc1Cl 1865682258 KKFCFYAGGRGILU-FQEVSTJZSA-N 477.326 6.203 50 10 JKGE COc1ccc(-c2nn(-c3ccccc3)c3c2[C@@H](c2cccc(Cl)c2)C(C#N)=C(N)O3)cc1 1865683985 SDFAGXNHVMVAGC-QFIPXVFZSA-N 454.917 5.419 50 10 JKGE CCCCOc1ccc([C@@H]2C(C#N)=C(N)Oc3c2c(CC)nn3-c2ccc(Cl)cc2)cc1OCC 1865686829 BXDAHYLLOVVENS-XMMPIXPASA-N 493.007 5.884 50 10 JKGE Cc1ccccc1COc1ccc([C@@H]2C(C#N)=C(N)Oc3c2c(C)nn3Cc2ccc(F)cc2)cc1 1865703304 SUEMBYNLXKLJLS-HHHXNRCGSA-N 480.543 5.485 50 10 JKGE CCc1ccc([C@@H]2C(C#N)=C(N)Oc3c2c(-c2ccc(OC)cc2)nn3Cc2ccccc2)cc1 1865708816 GRYALPGKLFZVKQ-RUZDIDTESA-N 462.553 5.388 50 10 JKGE COc1ccc(-c2nn(-c3cccc(Cl)c3)c3c2[C@H](c2cccc(OC)c2)C(C#N)=C(N)O3)cc1 1865712332 VWWKKIZLVFPMIB-HSZRJFAPSA-N 484.943 5.428 50 10 JKGE CCOC(=O)c1c(NC(=O)/C(C#N)=C/c2ccc(C)cc2)sc(C(=O)OC2CCCCC2)c1C 1866127346 ZAKDCTMJLSMZGX-XMHGGMMESA-N 480.586 5.577 50 10 JKGE CSCC[C@H](NC(=O)[C@@H](c1ccc(F)cc1)C(C)C)C(=O)Nc1ccc(SC#N)cc1 1866968811 MHNOSTWFERVQFQ-LEWJYISDSA-N 459.612 5.015 50 10 JKGE COc1cc2c(cc1OC)N(c1cc(Nc3ccc(SC#N)cc3)nc(Cc3ccccc3)n1)CC2 1868208231 WSCZCGURYVBFIC-UHFFFAOYSA-N 495.608 6.096 50 10 JKGE Cc1ccc(-c2nc(Nc3ccc(SC#N)cc3)cc(N3CCc4nc[nH]c4[C@@H]3C)n2)cc1 1868321093 URWMBGZKJLJURF-KRWDZBQOSA-N 453.575 5.616 50 10 JKGE N#C/C(=C(/O)c1c(Cl)ccc(Cl)c1Cl)c1nc(-c2ccc(Br)cc2)cs1 1872746427 HHHYHLXYRHOUPN-BOPFTXTBSA-N 486.605 7.483 50 10 JKGE Cc1ccc(OC/C(O)=C(\C#N)c2nc(-c3ccc(Cl)c(Cl)c3)cs2)c(C(C)(C)C)c1 1872748754 MLPQOQKAIZCXFB-PGMHBOJBSA-N 473.425 7.595 50 10 JKGE N#C/C(=C(/O)c1ccc(Cl)cc1[N+](=O)[O-])c1nc(-c2ccc(Cl)c(Cl)c2)cs1 1872749159 DOMZINODYFUBPM-ATVHPVEESA-N 452.706 6.628 50 10 JKGE N#C/C(=C(O)\C=C\c1ccc([N+](=O)[O-])cc1)c1nc(-c2ccc(Oc3ccccc3)cc2)cs1 1872753897 SOGUIDYDWVOMLQ-QYKYIQPMSA-N 467.506 7.017 50 10 JKGE CCOc1ccc(OCC)c(-c2csc(/C(C#N)=C(\O)CNC(=O)c3ccc(Cl)cc3)n2)c1 1872754698 DXZVUPWDHFZFDR-VZCXRCSSSA-N 483.977 5.484 50 10 JKGE COc1cc(OC)c(-c2csc(/C(C#N)=C(\O)c3ccccc3Br)n2)cc1Cl 1872756081 CEEQPHXXYLNJTA-UYRXBGFRSA-N 477.767 6.193 50 10 JKGE CCCCCCOc1ccc(/C=C(\C#N)c2nc(-c3ccc(CCCC)cc3)cs2)cc1OC 1872780710 INFORXDGMSNBRN-XIEYBQDHSA-N 474.670 8.185 50 10 JKGE CCCOc1ccc(-c2csc(/C(C#N)=C/c3ccc(OC)c(OC)c3)n2)cc1OCCC 1872790090 KMPXYMJLADLMQW-DEDYPNTBSA-N 464.587 6.469 50 10 JKGE COc1cc(OC)c(-c2csc(/C(C#N)=C/c3c(Cl)cccc3Cl)n2)cc1Cl 1872793576 HTAXRRNIUMBXMW-IZZDOVSWSA-N 451.762 6.852 50 10 JKGE CC(C)(C)OC(=O)N[C@H](CBr)[C@H]1CCC2(CCN(C(=O)OC(C)(C)C)CC2)C1 1885098372 YAGIHKHDOURCQT-JKSUJKDBSA-N 461.441 5.092 50 10 JKGE CC(C)[C@H](CBr)N(Cc1ccccc1)C(=O)c1ccc(I)cc1 1915290074 ZULXKZYLZAUCKO-SFHVURJKSA-N 486.191 5.353 50 10 JKGE Brc1cc(Br)c([C@@H](Br)c2cccc(C3CC3)c2)s1 1922906615 LJSOSUMETCGUFY-ZDUSSCGKSA-N 451.021 6.635 50 10 JKGE COc1ccc(OC)c([C@@H](Cl)c2c(Br)sc(Br)c2Cl)c1 1923048758 IRHLECAPESBZKS-SNVBAGLBSA-N 461.002 6.272 50 10 JKGE CC1(C)C([C@H](Br)c2c(Br)sc(Br)c2Cl)C1(C)C 1923073357 WOSGRLJTLJAHNB-ZCFIWIBFSA-N 465.476 7.045 50 10 JKGE CCCC[C@H](C)[C@H](Br)c1c(Br)sc(Br)c1Br 1924580670 UGTTUQVOHPKIMF-XPUUQOCRSA-N 497.916 7.298 50 10 JKGE Fc1ccc(Br)cc1[C@H](Br)c1c(Cl)sc(Cl)c1Cl 1925587512 KDTYVFONGIXKCS-QMMMGPOBSA-N 453.385 7.094 50 10 JKGE Fc1cc(Br)cc(F)c1[C@H](Cl)c1c(Cl)sc(Br)c1Cl 1925590128 NDSAMNYGGOXYOB-QMMMGPOBSA-N 471.375 7.186 50 10 JKGE CC(C)C[C@@H]1CN(C(=O)OC(C)(C)C)CC[C@@]12CC[C@@](C)(CI)O2 1944824530 HKWRREFYKBRFFA-MNEFBYGVSA-N 451.389 5.032 50 10 JKGE Cc1c(Br)ccc([C@@H](Br)C2(Br)CCC2)c1Br 1994136291 YBYVUCBSAJOJHY-LLVKDONJSA-N 475.844 6.274 50 10 JKGE CC[C@@H](C)[C@H](CI)NCc1cccc(Br)c1Br 2023044276 PSUPCNSQFAISRN-SKDRFNHKSA-N 475.006 5.151 50 10 JKGE Cc1cc(C(=O)N(Cc2ccccc2)C2(CBr)CCC2)ccc1I 2026131651 XWNIIKPPDGMDGC-UHFFFAOYSA-N 498.202 5.560 50 10 JKGE CCc1cc(Br)c([C@H](Br)c2ccc(Cl)cc2Br)s1 2029232786 LZCLDKMFXGFFHY-GFCCVEGCSA-N 473.455 6.973 50 10 JKGE BrCc1ccc(Br)cc1N1CCN(Cc2ccccc2)C2(CCC2)C1 2035793438 MYDANUZKRGNDQL-UHFFFAOYSA-N 464.245 5.589 50 10 JKGE Brc1cc([C@H](Br)[C@@H]2CC3(CCCC3)CO2)c(Br)s1 2047505514 HJPVEGLDIJCTDF-ONGXEEELSA-N 459.041 6.058 50 10 JKGE Cc1c(Br)ccc([C@@H](Br)c2cccc(Br)c2)c1Br 2083336688 CLBYRSHGBJLHIV-AWEZNQCLSA-N 497.850 6.767 50 10 JKGE BrC[C@H](Cc1csc(Br)c1)Cc1ccccc1Br 2084076406 BTWWPOXIRLPWNF-SNVBAGLBSA-N 453.037 6.069 50 10 JKGE Cc1cc(Br)c([C@H](Br)[C@@H]2C[C@@H]3C[C@@H]3C[C@@H]2C)cc1Br 2088249199 QRBIYWAOEPNBEH-HIJSCHKLSA-N 451.040 6.638 50 10 JKGE COc1ccc(F)cc1[C@H](Br)c1cccc(Br)c1Br 2092328844 PLLLAENLGVBHJE-CYBMUJFWSA-N 452.943 5.844 50 10 JKGE Cc1cc([C@@H](Br)c2cccc(Br)c2Br)c(Cl)cc1F 2092329298 UVDGZNRXYQHXQR-ZDUSSCGKSA-N 471.389 6.797 50 10 JKGE FC1(F)C[C@]12CC[C@@H]([C@@H](Br)c1c(Cl)sc(Br)c1Cl)C2 2099914136 CZEVIRANKPJUSM-DEHACQHWSA-N 454.989 7.079 50 10 JKGE BrCc1c(Br)cccc1N1CC[C@]2(CCCN(Cc3ccccc3)C2)C1 2107020754 VBAKLKIDPROXFD-QFIPXVFZSA-N 478.272 5.837 50 10 JKGE Brc1ccc(C[C@H]2CCCCCCC[C@@H]2Br)c(Br)c1 2112483454 HOJMEKOCIMBKES-DOMZBBRYSA-N 453.056 6.878 50 10 JKGE CN(CCCCCn1c(CCl)nc2cc(I)ccc21)Cc1ccccc1 2127657527 YDDYWMLUIWGHFC-UHFFFAOYSA-N 481.809 5.682 50 10 JKGE Cc1cc(Br)c(C)c([C@H](Br)CCOCC(F)F)c1Br 2136379656 MSQXPCYRVMYJCK-SECBINFHSA-N 464.970 5.936 50 10 JKGE Cc1ccc([C@@H](Br)c2cc(Br)c(Cl)cc2C)cc1Br 2137643610 UGDLVDOFEKBBDZ-OAHLLOKOSA-N 467.426 6.966 50 10 JKGE Cc1sc(Br)c([C@H](Br)c2cc(Cl)c(C)c(Br)c2)c1C 2138258658 SAXNYEJZTQTYOP-CYBMUJFWSA-N 487.482 7.336 50 10 JKGE Cc1c(Br)ccc([C@H](Cl)c2ccc(F)c(Br)c2)c1Br 2138860970 FTDCILPOHQKCFM-CQSZACIVSA-N 471.389 6.750 50 10 JKGE Cc1c(Br)ccc([C@H](Br)[C@H]2CCCCC23CC3)c1Br 2138875744 IUYHJJLJUVBKJH-DOMZBBRYSA-N 451.040 6.926 50 10 JKGE Cc1c(F)ccc([C@@H](Br)c2ccc(I)c(Cl)c2)c1C 2138891997 VRJDLHXVGDPTHF-HNNXBMFYSA-N 453.520 6.185 50 10 JKGE COc1c(Br)cc(C)cc1[C@@H](Br)c1cccc(I)c1 2139004686 XSJVOJBPBQSQIM-AWEZNQCLSA-N 495.980 5.855 50 10 JKGE O=C(N[C@@H](CBr)c1ccccc1)c1c(Br)cccc1Br 2150490441 HAQGGKGMHXQZSP-ZDUSSCGKSA-N 461.979 5.078 50 10 JKGE CC[C@](C)(Cn1c(CCCl)nc2cc(I)ccc21)N(C)Cc1ccccc1 2155093979 MHUDAIRQGYTHQQ-JOCHJYFZSA-N 495.836 5.723 50 10 JKGE CC1(C)C[C@H](n2c(CCl)nc3cc(F)c(Br)cc32)[C@@H]1OCc1ccccc1 2156378069 SRTVETWZJNGBQQ-ICSRJNTNSA-N 451.767 6.233 50 10 JKGE Cc1cc([C@H](Br)c2cc(Br)c3c(c2)C[C@@H](C)O3)c(Br)s1 2157246182 YUSDLPTWLNFBDX-FUXBKTLASA-N 481.047 6.389 50 10 JKGE BrCc1cc(Br)cc(Br)c1OCc1cnc(C2CC2)s1 2172969168 MENHGXADQCSBFC-UHFFFAOYSA-N 482.035 6.019 50 10 JKGE Cc1cc(Br)c(CBr)c(N2CC[C@]3(CN(Cc4ccccc4)CCO3)C2)c1 2173444915 PAORTOILIKIQFO-QFIPXVFZSA-N 494.271 5.134 50 10 JKGE Fc1ccc([C@@H](Br)c2c(Br)cc(F)c(Cl)c2F)cc1Br 2201618441 JAJGHLULVPJULV-LLVKDONJSA-N 493.342 6.767 50 10 JKGE COc1cc(Cl)c([C@@H](Br)c2cccc(F)c2Br)cc1Br 2202349981 BVDDVOCCSQHXNK-ZDUSSCGKSA-N 487.388 6.497 50 10 JKGE COc1cc(F)c([C@@H](Br)c2c(Cl)cccc2Br)cc1Br 2202902955 XOVWPFTYVPHNJI-CQSZACIVSA-N 487.388 6.497 50 10 JKGE COc1ccc(Br)cc1[C@@H](Cl)c1ccc(Br)c(C)c1Br 2203686109 SIRLYQKYPOUWKW-HNNXBMFYSA-N 483.425 6.619 50 10 JKGE COc1c(Br)cc(C)cc1[C@@H](Br)c1cc(Cl)cc(Br)c1 2203829721 KRJWOFMUGHDFIZ-AWEZNQCLSA-N 483.425 6.666 50 10 JKGE CCN[C@H](c1c(Br)cc(Cl)c(Cl)c1Cl)C1CC(Br)C1 2224322732 PUTBOOPSRULJND-RBEJAIPDSA-N 450.429 6.233 50 10 JKGE COc1ccc(Br)c(CBr)c1OCc1ccc(Br)s1 2227743431 SPHAPMIWHLZMDM-UHFFFAOYSA-N 471.008 5.756 50 10 JKGE Cl[C@@H](c1ccc([C@@H]2CCOC2)s1)c1cc(Br)ccc1I 2240440060 YSIRPIJPOHSQMN-RFAUZJTJSA-N 483.596 5.947 50 10 JKGE Clc1c(Br)sc(Br)c1[C@H](Br)C[C@@H]1CCCC12CC2 2255252481 AMOJRSVBYGDVQA-JGVFFNPUSA-N 477.487 7.333 50 10 JKGE Fc1cc(Br)c(F)c(Br)c1[C@H](Br)C[C@@H]1CC[C@H]2C[C@@H]21 2272729438 QASPEBGGAFACDA-XSPKLOCKSA-N 458.966 6.362 50 10 JKGE Cc1cc(Br)c(C)c([C@H](Br)CCC2CC(C)C2)c1Br 2274620572 OUIUWURRIWFRSX-UTVJUBTNSA-N 453.056 7.091 50 10 JKGE COc1c(Br)cc(Cl)cc1[C@H](Br)c1scc(Br)c1C 2277889536 PZHSYJRPNACXPT-NSHDSACASA-N 489.454 6.728 50 10 JKGE C[C@H]1Cc2cc([C@@H](Cl)c3scc(Br)c3Cl)cc(Br)c2O1 2279286114 BXNKPYCQUPBVCH-UPONEAKYSA-N 457.014 6.578 50 10 JKGE COc1ccc([C@H](Br)c2c(C)cccc2Br)c(Br)c1Cl 2283562921 LQFXQRNXNVTQCP-ZDUSSCGKSA-N 483.425 6.666 50 10 JKGE Clc1cc2c(c([C@H](Br)c3ccc(Cl)c(I)c3)c1)OCC2 2283587321 SMJBDUVUYBYHKZ-CQSZACIVSA-N 483.958 6.017 50 10 JKGE COc1ccc(Br)c2c1nc(CCl)n2C[C@H]1CC1(Br)Br 2286081380 RVGREUYBRGPCPI-SSDOTTSWSA-N 487.417 5.052 50 10 JKGE Cc1cc(Br)c([C@H](Cl)c2cc(Cl)c(Cl)cc2C)cc1Br 2286459009 SBIQJBDVKDBSMR-OAHLLOKOSA-N 457.420 7.463 50 10 JKGE COc1cc(C)c([C@@H](Br)c2scc(Br)c2Br)c(OC)c1 2287084592 BDMAFQDXBOAWOY-CYBMUJFWSA-N 485.035 6.083 50 10 JKGE CCCCOc1ccc(C=C(C#N)C(=O)Nc2ncc(Cc3ccccc3Cl)s2)cc1 2293038737 WUZRQYUXPJVTEQ-UHFFFAOYSA-N 451.979 6.112 50 10 JKGE N#CC(=Cc1ccc(OCc2ccc(Cl)cc2Cl)c(Br)c1)c1nc2ccccc2[nH]1 2293779512 XVYUZYXVROXOIM-UHFFFAOYSA-N 499.195 7.275 50 10 JKGE COc1cc(C)c(Cl)cc1[C@@H](Br)c1ccc(I)c(Cl)c1 2295298267 FYENLDABMNEXJH-HNNXBMFYSA-N 485.974 6.399 50 10 JKGE COc1cc2c(cc1NC=C(C#N)c1nc(-c3ccc(Cl)c(Cl)c3)cs1)oc1ccccc12 2295948567 MEXKJGDPKYGHRB-UHFFFAOYSA-N 492.387 8.001 50 10 JKGE CC(C)CC[C@H](Br)c1c(Cl)cc(Br)c(F)c1Br 2300177884 CFDPGXCWRUKLQF-ZETCQYMHSA-N 451.399 6.876 50 10 JKGE CCOc1cc(C=C(C#N)C(=O)Nc2cccc([N+](=O)[O-])c2)ccc1OCc1ccc(Cl)cc1 2313671171 NEYNEIOYQAGESH-UHFFFAOYSA-N 477.904 5.772 50 10 JKGE CC[C@H]1CC[C@H]([C@@H](Br)c2cc(Br)ccc2OCc2ccccc2)CC1 2314448454 HUYQKDPSIIWTEG-RADWXHQJSA-N 466.257 7.681 50 10 JKGE C[C@H](c1ccccc1)[C@H](Br)c1cc(Br)ccc1OCc1ccccc1 2314449075 MYMYNNWDBNJOCL-ZHRRBRCNSA-N 460.209 7.268 50 10 JKGE CC1(C)C[C@H](C[C@H](Br)c2cc(Br)ccc2OCc2ccccc2)CO1 2314451110 BXIAIZWXQFRQKV-LPHOPBHVSA-N 468.229 6.669 50 10 JKGE Brc1cc(OCc2ccccc2)ccc1[C@H](Br)[C@@H]1CC[C@H]2C[C@H]1CO2 2314455655 QINLIDPZAJDSIU-RBPRZQKGSA-N 466.213 6.279 50 10 JKGE Brc1ccc(OCc2ccccc2)c([C@@H](Br)[C@@H]2CC[C@@H]3C[C@H]2CO3)c1 2314494818 LTXOXXVMRSYNSX-VZRKHXGSSA-N 466.213 6.279 50 10 JKGE N#CC1=C(N)Oc2cc(OC(=O)C=Cc3ccc(Cl)cc3)ccc2[C@@H]1c1cccc(Cl)c1 2314634197 ZGTANSBIKVKPMN-DEOSSOPVSA-N 463.320 5.830 50 10 JKGE Fc1cc(CBr)ccc1Oc1cc(Br)cc(I)c1 2316846987 ICYVUVNAZFJWQH-UHFFFAOYSA-N 485.916 5.880 50 10 JKGE COc1ccc(OC)c(C=C2Oc3cc(OCc4ccc(CCl)cc4)cc(C)c3C2=O)c1 2325339645 XTKTXHUTZDUTMY-UHFFFAOYSA-N 450.918 5.946 50 10 JKGE Cc1ccc(Cl)cc1NC=C(C#N)C(=O)Nc1ccc(I)cc1C 2325405969 BDYWJMWTHVEFJN-UHFFFAOYSA-N 451.695 5.020 50 10 JKGE CCCOc1ccc(C=CC(=O)NNC(=O)c2ccc(-c3ccc4ccccc4c3)s2)cc1 2328785214 MYZGGACKQZIZFF-UHFFFAOYSA-N 456.567 5.832 50 10 JKGE CCOC(=O)c1cnn(-c2cc(C)c3cccc(C)c3n2)c1NC(C=O)=Cc1ccccc1C 2329811809 VUHFWBIJWBBKDV-UHFFFAOYSA-N 454.530 5.174 50 10 JKGE CC(C)(C)c1ccc(OCCCC(O)=C(C#N)c2nc(-c3ccccc3Cl)cs2)cc1 2331266754 FUYJLXIEGXWLBT-UHFFFAOYSA-N 453.007 7.413 50 10 JKGE C[C@@H](C(O)=C(C#N)c1nc(-c2ccc(Cl)c(Cl)c2)cs1)N1C(=O)c2ccccc2C1=O 2331311506 OPKOQPBFJGSZHH-NSHDSACASA-N 470.337 5.594 50 10 JKGE CCCCCCCOc1ccc(-c2csc(C(C#N)=C(O)c3c(F)cccc3Cl)n2)cc1 2331345874 GHOQDMWITAIFOJ-UHFFFAOYSA-N 470.997 7.902 50 10 JKGE COc1cc(-c2csc(C(C#N)=C(O)COc3ccccc3OC)n2)c(OC)cc1Cl 2331377379 QMRRAYMHLYYBNX-UHFFFAOYSA-N 458.923 5.361 50 10 JKGE CCOc1ccc(C=CC(O)=C(C#N)c2nc(-c3cc(Cl)c(OC)cc3OC)cs2)cc1OC 2331378653 MJSSPWREABNUQZ-UHFFFAOYSA-N 498.988 6.394 50 10 JKGE CCOc1ccc(-c2csc(C(C#N)=C(O)c3ccc(Cl)cc3[N+](=O)[O-])n2)c(OCC)c1 2331389229 HATTVDOOWURXOU-UHFFFAOYSA-N 471.922 6.119 50 10 JKGE Fc1ccccc1[C@H](CBr)Cc1ccc(Cl)c(I)c1 2337226513 ZSMRVDIIDBBQEW-NSHDSACASA-N 453.520 5.805 50 10 JKGE CC1CC2(C1)CC(CBr)(Cc1ccc(I)c(Br)c1)C2 2349845277 NJDUOPIHPXLPEA-UHFFFAOYSA-N 498.040 6.188 50 10 JKGE Clc1cc(Br)c([C@H](Br)[C@@H]2C[C@@H]3O[C@H]2[C@H]2C[C@@H]32)c(Cl)c1Cl 2358398706 HVARZALNBJSGPB-SSNIZJSZSA-N 461.408 6.269 50 10 JKGE Fc1c(Br)cc(Cl)c([C@H](Cl)[C@]23COC[C@@H]2C3(F)F)c1Br 2362232646 QILORDZLFGVMRZ-CYUDJLOBSA-N 454.895 5.566 50 10 JKGE COc1cc([C@@H](Br)c2scc(Br)c2Cl)c(OC)cc1Cl 2363541680 LMQPEYIUCARBLO-LLVKDONJSA-N 461.002 6.319 50 10 JKGE COc1c(Br)cc(C)c([C@H](Br)[C@]23CCOC[C@H]2C3)c1Br 2365220324 UZISUGITFSCNTD-NKZPBKNFSA-N 469.011 5.391 50 10 JKGE CC(C)(C)OC(=O)NC[C@@](C)(CI)OC[C@H](c1ccccc1)C1CCCC1 2368371871 NQSXFEXSZLUBHV-DENIHFKCSA-N 487.422 5.695 50 10 JKGE FC(F)(F)[C@H]1C[C@H](Cl)CCN1Cc1ccc(I)c(Br)c1 2377327955 XVZPTGJFXJGWTE-BXKDBHETSA-N 482.509 5.188 50 10 JKGE ClC[C@H](Cc1ccc(I)c(Br)c1)Cc1ccccc1Cl 2377351495 CQVMEDQTAHMZRI-GFCCVEGCSA-N 484.002 6.347 50 10 JKGE FC(F)(F)[C@H]1C[C@@H](COc2c(Br)cc(CBr)cc2Br)C1 2380940905 ALQBRPCVRBWZJH-DTORHVGOSA-N 480.944 6.074 50 10 JKGE CCOc1ccc(C[C@@H]2S/C(=C(\C#N)C(=O)Nc3ccccc3)N(c3ccccc3)C2=O)cc1 2266205 NHJBNVAVFIGHFG-BSSRNLCFSA-N 469.566 5.150 50 10 JKGE Cc1ccc(C[C@@H]2S/C(=C(\C#N)C(=O)Nc3cccc(C)c3)N(c3ccccc3)C2=O)cc1 2363700 STIFKEYWQFARPY-BSSRNLCFSA-N 453.567 5.368 50 10 JKGE COc1ccc(/C(C#N)=C\c2cccc(OC(=O)c3ccc(C(F)(F)F)cc3)c2)cc1OC 31902976 DPNWDJCRZHVPAH-UNOMPAQXSA-N 453.416 6.006 50 10 JKGE CCCCOc1ccccc1/C=C(/C#N)C(=O)Nc1ncc(Cc2ccc(C)c(Cl)c2)s1 33366874 WEFYIEYZNMZDKD-ZHZULCJRSA-N 466.006 6.420 50 10 JKGE COc1cc(/C=C(/C#N)c2nc3ccccc3[nH]2)ccc1Oc1ccc(C(F)(F)F)cc1[N+](=O)[O-] 33399299 IIMHAOSQKMHCQP-GDNBJRDFSA-N 480.402 6.355 50 10 JKGE CCOC(=O)/C(C#N)=C1/S[C@H](Cc2cc(Cl)ccc2Cl)C(=O)N1c1ccc(C)cc1 33729347 ABNJWGPLAQUSRZ-OXMAITBSSA-N 461.370 5.291 50 10 JKGE N#C/C(=C/c1ccc(-c2ccc(Br)cc2)o1)c1nn(-c2ccccc2)c(N)c1C#N 33909142 OYYWPZPMYMUJPU-VBKFSLOCSA-N 456.303 5.413 50 10 JKGE C=CCN1C(=O)C(C#N)=C(C)/C(=C\c2cn(-c3ccccc3)nc2-c2ccc(OCCC)c(C)c2)C1=O 38607605 KRCUOGCGQQYKOX-KOEQRZSOSA-N 492.579 5.415 50 10 JKGE COc1ccccc1[C@H]1C(C#N)=C(N)Oc2cc(OC(=O)COc3ccc(Cl)cc3Cl)ccc21 38649979 XGHWEVFWDAAVNH-XMMPIXPASA-N 497.334 5.205 50 10 JKGE CC(C)Oc1ccc(C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@@H]3c2ccc(Cl)c(Cl)c2)cc1 38655887 ODWDKQMFUQXVAS-XMMPIXPASA-N 495.362 6.218 50 10 JKGE CSc1ccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)[C@@H](C)Oc4ccc(F)cc4)ccc32)cc1 38682438 BADFMPCTMPTMTA-OYLFLEFRSA-N 476.529 5.139 50 10 JKGE Cc1ccc2c(C)c(C(=O)Oc3ccc4c(c3)OC(N)=C(C#N)[C@H]4c3ccc(F)cc3)oc2c1C 38688097 LSZDDWRBESHZRJ-DEOSSOPVSA-N 468.484 5.935 50 10 JKGE Cc1cc(Cl)ccc1Nc1ncnc(NNC(=O)c2ccc(Cl)cc2Cl)c1[N+](=O)[O-] 40590622 KBIOIJXOLGDHSG-UHFFFAOYSA-N 467.700 5.154 50 10 JKGE O=C(CC[C@@H](O)c1ccccc1)N/N=C\c1cc(Cl)c(OCc2ccccc2F)c(Cl)c1 58889413 GGEAMSYMPSJSGB-MGCJZSHXSA-N 475.347 5.675 50 10 JKGE N#C/C(=C/c1ccc(OCc2ccc(Cl)c(Cl)c2)cc1)C(=O)Nc1cccc(Cl)c1 59117117 PWAYGGCOGJZPQZ-YVLHZVERSA-N 457.744 6.771 50 10 JKGE COc1ccccc1NC(=O)/C(C#N)=C\c1cc(Cl)ccc1OCc1ccccc1Cl 59145749 KDYNXBQBBOUAHK-PDGQHHTCSA-N 453.325 6.127 50 10 JKGE O=C(N/N=C(/CSc1nc2ccccc2s1)c1ccccc1)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1 59460499 DVHKQOBWQCXLPD-CLCOLTQESA-N 493.526 5.039 50 10 JKGE COc1cc(/C=N\NC(=O)Cc2ccccc2)ccc1Oc1ccc(C(F)(F)F)cc1[N+](=O)[O-] 59462983 JZMNCCNDHGXTQV-VYYCAZPPSA-N 473.407 5.107 50 10 JKGE COc1ccc(/C=C(/C#N)C(=O)N[C@@H](C)c2ccccc2)cc1COc1cccc(C(F)(F)F)c1 96438662 CRLJZWIJYHNCIP-PKIWBCANSA-N 480.486 6.077 50 10 JKGE Clc1cc2c(cc1[C@H](Br)c1ccc(I)cc1)OCCO2 109867291 IUYVIJCJSXOZFS-OAHLLOKOSA-N 465.512 5.200 50 10 JKGE O=C1CCCc2cc([C@@H](Br)c3cccc(I)c3)ccc2N1 109870351 ZQTBVPAMIDEENV-KRWDZBQOSA-N 456.121 5.050 50 10 JKGE Brc1ccc2cc([C@@H](Br)c3sccc3Br)ccc2c1 134986950 MBVRFTBHCYWFLH-CQSZACIVSA-N 461.016 6.911 50 10 JKGE CC(C)(C)c1ccc([C@H](Br)c2cc(Br)ccc2Br)s1 161118703 CJYKSSJTAUYTAP-CQSZACIVSA-N 467.064 7.055 50 10 JKGE CCCOc1c(Br)cc(/C=N\NC(=O)Nc2cccc(Cl)c2)cc1OCC 169939539 KFVGHSUFOSZPNH-UUYOSTAYSA-N 454.752 5.446 50 10 JKGE COc1cc(/C=C\C(=O)Oc2ccc(/C=C\C#N)cc2OC)ccc1OCc1ccccc1C 207196572 PWCRPOPWBPCPIA-IXVDMPPHSA-N 455.510 5.747 50 10 JKGE CCCCCCN1C(=O)C(C#N)=C(C)/C(=C/c2ccc(OCc3ccccc3)c(OCC)c2)C1=O 214245874 FSOURBLRWLDQFS-ULJHMMPZSA-N 472.585 5.837 50 10 JKGE COc1ccc([C@H](Br)c2cc(Br)c(Cl)s2)cc1Br 227845891 KTGRMMVRTUUFGU-NSHDSACASA-N 475.427 6.419 50 10 JKGE Clc1cc2c(cc1[C@H](Br)c1cccc(Br)c1Cl)OCCO2 228452645 XXFJHGQQWGCYRR-CQSZACIVSA-N 452.957 6.011 50 10 JKGE CC(C)(C)[C@@H]1CC2=C(OC(N)=C(C#N)[C@@H]2c2ccc(Cl)cc2)/C(=C\c2ccc(Cl)cc2)C1 229785703 PKPNCDBPQDISDP-XLCNYRQISA-N 465.424 7.595 50 10 JKGE Brc1cc([C@H](Br)c2ccc3c(c2)CCCC3)c(Br)s1 232451533 PFJYAJGAHOLGPK-CQSZACIVSA-N 465.048 6.636 50 10 JKGE Cc1ccc(-c2nnc(SCC(=O)NN=Cc3cccc(C)c3)n2-c2ccc(C)cc2)cc1 254303324 UWPCFQVMVSXZKR-UHFFFAOYSA-N 455.587 5.102 50 10 JKGE CCCCCCCCCCCCCCCCCC(=O)NN=C/C=C(\CCCCCC)c1ccccc1 254377613 DIHFWMJIGWQOFJ-PKWGPSKNSA-N 496.824 10.404 50 10 JKGE N#C/C(N=Cc1ccc(Cl)cc1)=C(\C#N)NCc1ccccc1Sc1ccc(Cl)cc1 254377619 DLCAZSXVZKPAMG-NYXUBIBPSA-N 463.393 6.612 50 10 JKGE COc1cccc(C=NNC(=O)CN2CCn3c4c(c5cc(C6CCCCC6)ccc53)CCC[C@@H]42)c1 254698898 INNGXZYDWCJGSZ-NDEPHWFRSA-N 484.644 5.541 50 10 JKGE CC(C)(C)SCCC(CBr)(CBr)c1ccc(Br)cc1 306011110 KGDQBMCIUMBVGK-UHFFFAOYSA-N 473.112 6.399 50 10 JKGE Clc1cc(Br)ccc1[C@@H](Br)c1cc(Cl)c(Cl)c(Cl)c1Cl 405071716 HDDBEIZDGUCQTP-SNVBAGLBSA-N 498.256 8.200 50 10 JKGE CC(C)(C)OC(=O)Nc1ccc([C@@H]2COCCN(CCO[Si](C)(C)C(C)(C)C)C2)cc1 616597563 KQCXRMGBYJOFFW-FQEVSTJZSA-N 450.696 5.471 50 10 JKGE CC(C)(C)[Si](C)(C)OCCN1CCC(c2ccccc2CO[Si](C)(C)C(C)(C)C)CC1 616609339 REUJZYSHRXBXJC-UHFFFAOYSA-N 463.855 7.410 50 10 JKGE Clc1cc([C@@H](Br)c2cc(Br)c3c(c2)CCCO3)c(Cl)s1 689541465 KJCQFPSLJULDTN-LBPRGKRZSA-N 457.014 6.627 50 10 JKGE Cc1cc(Br)c([C@H](Cl)c2cn(C)c(Br)n2)cc1Br 698435825 WVIQEOCZJSELIY-NSHDSACASA-N 457.391 5.344 50 10 JKGE C[C@H](Cl)c1nc2cc(Cl)c(F)cc2n1CC1(N(Cc2ccccc2)Cc2ccccc2)COC1 707858662 QAQYICMPTCNZGE-IBGZPJMESA-N 498.429 6.600 50 10 JKGE C[C@@H](CC(CBr)(CBr)c1ccccc1Br)C(C)(C)C 710820218 LGJDGPDCODCORO-LBPRGKRZSA-N 455.072 6.549 50 10 JKGE O=C(NN=C(CSc1nc2ccccc2o1)c1ccc([N+](=O)[O-])cc1)c1cccc(Cl)c1 1083995021 RITZHVYQRJBKEE-UHFFFAOYSA-N 466.906 5.316 50 10 JKGE CCOc1cc(C=NNC(=O)c2cccs2)cc(Br)c1OCc1ccccc1 1084293891 PUIQXWZIHWDLHA-UHFFFAOYSA-N 459.365 5.252 50 10 JKGE O=C(NN=C(CSc1nc2ccccc2s1)c1ccc(-c2ccccc2)cc1)c1ccccc1O 1084397792 JVYPIJDPVNWSRG-UHFFFAOYSA-N 495.629 6.595 50 10 JKGE Cc1cc([N+](=O)[O-])ccc1-c1ccc(C=NNC(=O)CSc2nc3ccccc3s2)o1 1084524457 UPHZYAIKBDNRSX-UHFFFAOYSA-N 452.517 5.015 50 10 JKGE CN(C)c1ccc(C=NNC(=O)c2ccc(CSc3ccccc3)cc2)cc1Br 1084531813 XPKBYSFCHCCOIP-UHFFFAOYSA-N 468.420 5.571 50 10 JKGE CC(=NNC(=O)[C@H]1[C@@H](C=C(Cl)Cl)C1(C)C)c1cc(C(F)(F)F)cc(C(F)(F)F)c1 1088668206 AQHNUDZVSKNBDU-TZMCWYRMSA-N 461.233 6.156 50 10 JKGE O=C(NN(C(=O)c1cccc(Cl)c1Cl)C12CC3CC(CC(C3)C1)C2)c1ccc(Cl)cc1 1088700689 VRNAVFZBYZWNKP-UHFFFAOYSA-N 477.819 6.403 50 10 JKGE Cc1c(Cl)cccc1NC(=O)c1oc2c(c1C)C(=NNC(=O)c1ccccc1F)CCC2 1772744671 ZWBFITFCRXZZRU-UHFFFAOYSA-N 453.901 5.412 50 10 JKGE CCc1nn(-c2ccc(Br)cc2)c2c1[C@@H](c1c(F)cccc1Cl)C(C#N)=C(N)O2 1865685598 KQVOSFHWLCXABW-QGZVFWFLSA-N 473.733 5.208 50 10 JKGE CCCCOc1ccc([C@@H]2C(C#N)=C(N)Oc3c2c(CC)nn3Cc2cccc(Cl)c2)cc1 1865690382 PWBKQAHXGBIUSU-HSZRJFAPSA-N 462.981 5.544 50 10 JKGE CCOc1cccc([C@@H]2C(C#N)=C(N)Oc3c2c(-c2ccc(OC)cc2)nn3-c2ccc(Cl)cc2)c1 1865690561 UZUVPAYVOACNKY-XMMPIXPASA-N 498.970 5.818 50 10 JKGE CCCCOc1ccc([C@H]2C(C#N)=C(N)Oc3c2c(CCC)nn3Cc2ccccc2F)cc1 1865693303 UKLROBSUIBHOJB-DEOSSOPVSA-N 460.553 5.420 50 10 JKGE CCCc1nn(CCC)c2c1[C@@H](c1ccc(OCc3ccccc3)c(OCC)c1)C(C#N)=C(N)O2 1865694191 RESWGBCTORNWOH-VWLOTQADSA-N 472.589 5.441 50 10 JKGE CCCCOc1ccc([C@@H]2C(C#N)=C(N)Oc3c2c(CC)nn3Cc2cccc(Cl)c2)cc1OC 1865695966 AWFSKDINTPBESW-XMMPIXPASA-N 493.007 5.553 50 10 JKGE Cc1ccc(C)c(Cn2nc(-c3ccccc3)c3c2OC(N)=C(C#N)[C@@H]3c2sccc2C)c1 1865698815 DBOAGNNYNMVNPA-QFIPXVFZSA-N 452.583 5.803 50 10 JKGE COc1cc(/C=N\NC(=O)c2ccc(-c3ccc(Cl)cc3)nc2C)ccc1OCc1ccccc1 1865762143 PWCGAAGKPUKBJF-LQNQUEJISA-N 485.971 6.062 50 10 JKGE COC(=O)c1ccc2c(O)nc(/C(C#N)=C/c3ccc(OCc4c(F)cccc4Cl)cc3)nc2c1 1872728528 HCDCNNCBNZGRHP-GZTJUZNOSA-N 489.890 5.558 50 10 JKGE CCOc1cc(/C=C(\C#N)c2cc3c(cc2[N+](=O)[O-])OCCO3)ccc1OCc1cccc(Cl)c1 1872728738 QNDCPGNKEAWMNJ-VXLYETTFSA-N 492.915 6.061 50 10 JKGE C[C@@H](Oc1ccc(Cl)cc1)/C(O)=C(\C#N)c1nc(-c2ccc(Cl)cc2Cl)cs1 1872744820 JLEDJSLMEQNSIK-HBTZSIKTSA-N 451.762 7.030 50 10 JKGE COc1cc(OC)c(-c2csc(/C(C#N)=C(\O)COc3ccc(Cl)cc3Cl)n2)cc1Cl 1872756481 LWNXGJFQKLGMEI-LGMDPLHJSA-N 497.787 6.659 50 10 JKGE CCOc1cc(/C=C(\C#N)c2nc(-c3c(C)c(C)cc(C)c3C)cs2)ccc1OCc1ccccc1 1872792948 ZHYCLWHGTJZIER-CVKSISIWSA-N 494.660 8.086 50 10 JKGE F[C@@H]([C@@H](Br)c1cc(Br)ccc1OCc1ccccc1)C(F)(F)F 1899853839 XQHNDOXEZMHEIB-GJZGRUSLSA-N 456.071 6.365 50 10 JKGE C[C@@H](CCCl)N(Cc1ccccc1)C(=O)c1cc(Br)cc(Br)c1 1915093107 QTEVRNOEGDCGFR-ZDUSSCGKSA-N 459.609 5.871 50 10 JKGE Cc1cc(C(=O)N(Cc2ccccc2)[C@H](CBr)C(C)C)sc1Br 1915288243 HUVVRPZGBAYGTR-OAHLLOKOSA-N 459.247 5.881 50 10 JKGE Cc1sc(Br)cc1C(=O)N(Cc1ccccc1)[C@@H](CBr)C(C)C 1915298592 VHQVSBHSRKTRTA-INIZCTEOSA-N 459.247 5.881 50 10 JKGE O=S(=O)(c1ccc(Cl)c(Br)c1)N(Cc1ccccc1)C1(CCl)CCC1 1915763165 XUPCXUNJQGVERZ-UHFFFAOYSA-N 463.224 5.455 50 10 JKGE CC[C@H](CC(F)(F)F)[C@@H](Br)c1sc(Br)cc1Br 1922896914 JIWMUURBEILNMT-SVGQVSJJSA-N 458.963 6.688 50 10 JKGE Cc1c(Br)sc([C@@H](Cl)c2cccc(S(C)(=O)=O)c2)c1Br 1922898465 VQSQDBXZYDBHAL-NSHDSACASA-N 458.624 5.313 50 10 JKGE CC[C@H](C[C@@H](Br)c1sc(Br)c(C)c1Br)C(C)(C)C 1922912845 RKYRBBJNKUSYSX-NXEZZACHSA-N 461.101 7.480 50 10 JKGE C[C@@H]1COC[C@H]1[C@H](Br)c1c(Br)sc(Br)c1Cl 1923055599 WDQQXSUNJPUTCK-XAHCXIQSSA-N 453.421 5.645 50 10 JKGE CC(C)c1ccccc1[C@@H](Br)c1c(Br)sc(Br)c1Cl 1923066339 ONKKSOGIJQPKLY-LLVKDONJSA-N 487.482 7.534 50 10 JKGE FC(F)(F)CC[C@H](Br)c1c(Br)sc(Br)c1Cl 1923067602 FVISVSSNGGGWJD-VKHMYHEASA-N 465.354 6.705 50 10 JKGE CCn1ncc(Br)c1[C@H](Br)[C@H](C)c1ccncc1Br 1924065919 ACVYCWNPRDKFMI-PRHODGIISA-N 451.988 5.063 50 10 JKGE Cl[C@H](c1c(Br)sc(Br)c1Br)[C@@H]1C[C@H]2C[C@H]1[C@@H]1C[C@@H]21 1924569740 ZMWKCHMHVYLIMJ-ZUEFGMSTSA-N 475.471 6.608 50 10 JKGE Cl[C@@H](C[C@H]1CCOC1)c1c(Br)sc(Br)c1Br 1924605822 XNSKMTBHRSZVCS-RITPCOANSA-N 453.421 5.742 50 10 JKGE CC1(C)CO[C@H](C[C@@H](Cl)c2c(Br)sc(Br)c2Br)C1 1924613508 JEECRCBQGSDQJD-RNFRBKRXSA-N 481.475 6.521 50 10 JKGE Cl[C@@H](c1c(Br)sc(Br)c1Br)[C@H]1CCCC12CC2 1924614133 WQYVFUUFPWYARM-HZGVNTEJSA-N 463.460 6.896 50 10 JKGE Brc1sc(Br)c([C@H](Br)[C@H]2CC23CCC3)c1Br 1924616826 TZORKTDHKKKMDJ-IYSWYEEDSA-N 493.884 6.662 50 10 JKGE Cc1cc(Br)c([C@@H](Br)c2c(Br)sc(C)c2C)s1 1951014314 HQMUWOCHUAWZAY-JTQLQIEISA-N 459.066 6.744 50 10 JKGE Cc1cc(Br)c(C)c([C@H](Br)[C@H]2C[C@@H]2Br)c1Br 1993348374 VSVFEGLYXIHJLC-QOSJWCAFSA-N 475.844 6.048 50 10 JKGE FC(F)(C1CCCC1)[C@H](Br)c1cc(Br)sc1Br 2012977689 POEUGYPLFALBEX-SECBINFHSA-N 452.984 6.535 50 10 JKGE FC1(F)CC2(C[C@@H]2[C@H](Br)c2cc(Br)c(Br)s2)C1 2015445277 UJKMOQOBRQSOMU-XRGYYRRGSA-N 450.968 6.145 50 10 JKGE CN(c1ccc(CBr)cc1Br)[C@H]1CN(Cc2ccccc2)C(C)(C)C1 2037331431 JJZXCZJRNUXGSK-GOSISDBHSA-N 466.261 5.833 50 10 JKGE FC1(F)CC2(CC([C@H](Br)c3cc(Br)c(Br)s3)C2)C1 2040958538 WSLLYLPWCAZPEL-VIFPVBQESA-N 464.995 6.535 50 10 JKGE Brc1csc([C@H](Br)c2cc(Br)c3c(c2)CCO3)c1 2052449124 GQDGJJUPJLUPOL-GFCCVEGCSA-N 452.993 5.692 50 10 JKGE CO[C@H]1C[C@H]([C@H](Br)c2cc(Br)c(Br)s2)C[C@H]1OC 2054486614 MREZQAJSZHVJAP-FGGBMERFSA-N 463.029 5.149 50 10 JKGE Cc1nn(C)c(Br)c1[C@H](Cl)c1c(Br)sc(Br)c1Cl 2065890756 QMERATKQYOYKNB-LURJTMIESA-N 497.865 6.059 50 10 JKGE Fc1cc(Cl)cc([C@H](Br)c2ccc(Br)cc2Br)c1 2083323802 YFXWFSVOXLWEOJ-ZDUSSCGKSA-N 457.362 6.488 50 10 JKGE CCc1ccc(CC)c([C@@H](Br)c2csc(Br)c2Br)c1 2093941861 DLQUAXGTZMWXOD-CYBMUJFWSA-N 467.064 6.882 50 10 JKGE CC[C@@H](C)c1ccc([C@@H](Br)c2csc(Br)c2Br)cc1 2093941969 HGRMQAQVPULMEE-NOZJJQNGSA-N 467.064 7.271 50 10 JKGE Cc1cc(C)c(C)c([C@H](Br)c2csc(Br)c2Br)c1C 2093942626 WUUDODFTPFUGNN-CYBMUJFWSA-N 467.064 6.991 50 10 JKGE C[C@@H]1CN(Cc2cccc(Br)c2Br)CC[C@@H]1CCBr 2115843999 PJIHQUWGXAGOPF-NEPJUHHUSA-N 454.044 5.455 50 10 JKGE Cc1cc(Br)c([C@@H](Br)[C@H]2CCCCC23CC3)cc1Br 2116986183 DMWXDGDAPGFRPK-IUODEOHRSA-N 451.040 6.926 50 10 JKGE BrCc1cc(Br)c(OC[C@@H]2C3C[C@@H]4C2[C@@H]4C3)c(Br)c1 2134439463 WMHCQWHBLMPGFU-MHSIUAFHSA-N 450.996 5.387 50 10 JKGE Cc1cc(Br)c(C)c([C@H](Br)C[C@@H]2C[C@H]3C[C@H]3C2)c1Br 2136374583 NHBOPNNTACSEOA-GFQSEFKGSA-N 451.040 6.701 50 10 JKGE Cc1cc(Br)c(C)c([C@H](Br)[C@H]2C(C)(C)C2(F)F)c1Br 2136374977 QPRDYGDWGDTKHF-RYUDHWBXSA-N 460.982 6.556 50 10 JKGE COc1ccc([C@@H](Br)c2cc(C)sc2Br)c(OC)c1Br 2157248213 IZFLAJAKVPQGAQ-LLVKDONJSA-N 485.035 6.083 50 10 JKGE Cc1cc(Br)c([C@H](Br)[C@]2(C)CCCCC2(F)F)cc1Br 2167934365 BAZGRRSXLKLQOS-KBPBESRZSA-N 475.009 7.172 50 10 JKGE C[C@@H](Cl)c1nc2cc(Cl)c(Br)cc2n1C(C)(C)CN(C)Cc1ccccc1 2169012035 SJNVWDNOBAUNCN-CQSZACIVSA-N 469.254 6.619 50 10 JKGE BrCc1cc(Br)c(OC[C@@H]2CC3(CCCC3)O2)c(Br)c1 2189615369 QBMOAUAWYYLIOL-NSHDSACASA-N 469.011 5.587 50 10 JKGE Fc1cccc([C@@H](Br)c2ccc(-c3cccs3)s2)c1I 2205870895 UZRDZKHOPLLVEU-CQSZACIVSA-N 479.177 6.705 50 10 JKGE O=C(c1ccc(Br)cc1I)N(CCCl)C1CCCCC1 2207268434 LGANHCANVUHBRT-UHFFFAOYSA-N 470.576 5.067 50 10 JKGE FC(F)(F)C[C@@H](Cl)Cc1sc(Br)c(Br)c1Br 2212199437 CKCIKEBZKSPFHJ-VKHMYHEASA-N 465.354 6.138 50 10 JKGE C[C@@H](Br)CN(Cc1ccccc1)c1ncc(C(F)(F)F)cc1Br 2212716687 HAGNXSWOUVLLTQ-LLVKDONJSA-N 452.112 5.653 50 10 JKGE Cc1sc([C@H](Br)c2scc(Br)c2C)c(C)c1Br 2213774241 MQQGTSKGUDVMOE-SNVBAGLBSA-N 459.066 6.744 50 10 JKGE Cc1cc2c(cc1Cl)nc(CCl)n2CCCN(Cc1ccccc1)Cc1ccccc1 2215546593 UHEOSORCHUIAAY-UHFFFAOYSA-N 452.429 6.829 50 10 JKGE Brc1cc([C@@H](Br)[C@@H]2C[C@H]3CCC[C@H](C3)C2)c(Br)s1 2218348389 BOQUZLVYPXSJMS-WTBMIXGQSA-N 457.069 6.926 50 10 JKGE ClCCc1nc2cc(Br)c(Br)cc2n1[C@@H]1CCN(Cc2ccccc2)C1 2225692747 BBAOHJVADRWFCP-OAHLLOKOSA-N 497.662 5.790 50 10 JKGE Cc1cc(Br)c([C@@H](Cl)c2nn(C)cc2Br)c(C)c1Br 2227354333 JAGPYWRZTAHQOE-GFCCVEGCSA-N 471.418 5.653 50 10 JKGE FC1([C@@H](Br)c2c(Br)cc(Cl)c(Cl)c2Cl)CC2(CCC2)C1 2232511783 QZQPOMCUYPLSNR-LBPRGKRZSA-N 465.415 7.518 50 10 JKGE Cc1cc(Br)c([C@H](Br)[C@H](C)c2ccccc2)c(C)c1Br 2235602318 YYGLCWUJNIDMFB-PIGZYNQJSA-N 461.035 7.068 50 10 JKGE COc1cc(Br)c([C@@H](Br)c2cccc(F)c2Br)cc1C 2236013206 VSQQHRYIJAIMPG-AWEZNQCLSA-N 466.970 6.152 50 10 JKGE CCN(C[C@@](C)(CBr)OCc1ccccc1C(F)(F)F)C(=O)OC(C)(C)C 2236065474 VQJQIMFIYZPZFS-GOSISDBHSA-N 454.327 5.633 50 10 JKGE Cc1cc(Br)c([C@H](Br)C2(C)CC3(CCC3)C2)c(C)c1Br 2236515435 DOMZDAMQWFQARQ-HNNXBMFYSA-N 465.067 7.235 50 10 JKGE Clc1cc([C@@H](Br)c2scc(Br)c2Cl)sc1Br 2242670216 CGXIOGMRSVRREG-ZCFIWIBFSA-N 485.875 7.126 50 10 JKGE Cc1cc(Br)cnc1C(=O)N(Cc1ccccc1)C1(CBr)CCC1 2248981558 RJCDISCRKMVPRL-UHFFFAOYSA-N 452.190 5.113 50 10 JKGE COC[C@]1(C)C[C@@H]1COc1c(Br)cc(CBr)cc1Br 2269280592 OBVNQKYWVWXLGB-YGRLFVJLSA-N 457.000 5.158 50 10 JKGE Brc1cc2sc([C@H](Br)c3cc4sccc4s3)cc2s1 2278101201 NCBCHRIVMBIRPR-CYBMUJFWSA-N 450.267 7.486 50 10 JKGE CCn1cc([C@@H](Br)c2cc(Cl)cc(Br)c2OC)nc1Br 2279039987 HUGMZRUIOIEODM-NSHDSACASA-N 487.417 5.574 50 10 JKGE CCC1CCC(CI)(OCc2ccc(Br)cc2F)CC1 2281372952 OTFHLVOEMJAPFN-UHFFFAOYSA-N 455.149 5.879 50 10 JKGE Fc1cccc(I)c1[C@@H](Br)c1ccc(-c2cccs2)s1 2282895974 DDQXWQBBGNUGLN-HNNXBMFYSA-N 479.177 6.705 50 10 JKGE C[C@@H](Br)CN(CC(C)(C)C)C(=O)c1ccc(Cl)c(I)c1 2288053428 TVECFNNCXOYTKI-SNVBAGLBSA-N 472.592 5.216 50 10 JKGE CC[C@H](C[C@H](Br)c1c(F)cc(Br)c(F)c1Br)C(C)(C)C 2288496208 FFVMJZCQWUCQRA-BDAKNGLRSA-N 477.025 7.388 50 10 JKGE CC(C)c1ccc(C=C(C#N)C(=O)Nc2ncc(Cc3ccc(Br)cc3)s2)cc1 2293038633 QHLNFOIZLLTDAB-UHFFFAOYSA-N 466.404 6.165 50 10 JKGE CCOc1ccc(-c2nn(-c3ccccc3)cc2C=C(C#N)C(=O)NCc2ccccc2)cc1Cl 2293039315 SWRSOXXWYLEYLB-UHFFFAOYSA-N 482.971 5.815 50 10 JKGE Clc1ccc(Br)c(COc2c(Cl)cc(CBr)cc2Cl)c1 2296309219 RTGIEYZYNGDBDG-UHFFFAOYSA-N 459.392 6.883 50 10 JKGE Brc1ccc(OCc2ccccc2)c([C@@H](Br)[C@@H]2[C@H]3COCC[C@H]32)c1 2299489692 RNMSNLQXHRHQLT-DJABAAGCSA-N 452.186 5.747 50 10 JKGE CCCC(CCC)[C@H](Br)c1cc(Br)ccc1OCc1ccccc1 2299492962 JTAVMWAAZIZRRP-NRFANRHFSA-N 454.246 7.681 50 10 JKGE Cc1cc([C@@H](Cl)c2ccc(OCc3ccccc3)cc2Br)oc1Br 2299526345 XJBCTTSOVBFRDU-SFHVURJKSA-N 470.588 7.020 50 10 JKGE Cc1cc(-c2ccc(C=C(C#N)C(=O)Nc3cccc(Cl)c3Cl)o2)cc([N+](=O)[O-])c1C 2313571501 XUYDPYUZYQGMDW-UHFFFAOYSA-N 456.285 6.324 50 10 JKGE COc1cc(C=C(C#N)C(=O)Nc2ccc(Cl)c(Cl)c2)ccc1OC(=O)c1ccccc1 2313631073 JYNNZZKESOTTIY-UHFFFAOYSA-N 467.308 5.767 50 10 JKGE N#CC(=C(O)c1ccc(-c2cccc(C(F)(F)F)c2)o1)c1nc(-c2ccc(F)cc2)cs1 2314457510 NLIRHBVJYRQKBV-UHFFFAOYSA-N 456.420 7.178 50 10 JKGE N#CC(=Cc1ccc(-c2c(Cl)cccc2Cl)o1)C(=O)Nc1ccc([N+](=O)[O-])cc1Cl 2314488094 IVPWBLCTCMQURK-UHFFFAOYSA-N 462.676 6.361 50 10 JKGE CC1(C)[C@H]2C[C@H]([C@H](Br)c3cc(Br)ccc3OCc3ccccc3)C[C@H]21 2314497842 ODZKZOWFMFWJQE-RMYQPGKMSA-N 464.241 7.146 50 10 JKGE Cc1c(Cl)sc(Cl)c1[C@@H](Br)c1cccc(Br)c1Br 2314518251 QMPJFHLFGXDZKL-JTQLQIEISA-N 493.873 7.373 50 10 JKGE Cc1ccc(NC(=O)C(C#N)=C2S[C@@H](Cc3cccc(C)c3)C(=O)N2c2ccc(C)c(C)c2)cc1 2314591886 GWAQAPFPNUUJEB-SANMLTNESA-N 481.621 5.985 50 10 JKGE CC1=C(C#N)C(=O)N(Cc2ccco2)C(=O)C1=Cc1cn(-c2ccccc2)nc1-c1ccc(Cl)cc1 2314618858 VQHFAEBHPVUDRA-UHFFFAOYSA-N 494.938 5.578 50 10 JKGE COc1ccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)C=Cc4ccc(Cl)cc4)ccc32)c(OC)c1 2314634569 JMGZVSUIBBJOBE-AREMUKBSSA-N 488.927 5.194 50 10 JKGE Cn1nc(Br)c(Br)c1[C@@H](Cl)Cc1ccc(Br)cc1 2316701224 LOJCROSAIGALLC-VIFPVBQESA-N 457.391 5.230 50 10 JKGE Cc1cc(Br)c(F)c(Br)c1[C@H](Cl)c1ccc(Br)s1 2317422490 JMOCHUAVUXBCRR-LLVKDONJSA-N 477.418 6.811 50 10 JKGE Cc1sc2ncn(CC(=O)C(C#N)=C3Nc4ccccc4S3)c(=O)c2c1-c1ccc(F)cc1 2320729556 JVJQDCDAOFANOG-UHFFFAOYSA-N 474.542 5.095 50 10 JKGE CCCOc1ccc(-c2csc(C(C#N)=C(O)c3ccc(N(C)C)cc3)n2)cc1OCCC 2331293610 GOKPBYZALOSHHR-UHFFFAOYSA-N 463.603 6.404 50 10 JKGE Cc1cc(OCCCC(O)=C(C#N)c2nc(-c3cccc(Cl)c3)cs2)cc(C)c1Cl 2331294352 OJXNZRSWTWDSQP-UHFFFAOYSA-N 459.398 7.386 50 10 JKGE COc1cc(C(O)=C(C#N)c2nc(-c3cc(C)c(Cl)cc3OC)cs2)c([N+](=O)[O-])cc1OC 2331390080 HAHTXRLRQXEMLF-UHFFFAOYSA-N 487.921 5.656 50 10 JKGE Cc1ccc(C(C)(C)C)cc1-c1csc(C(C#N)=C(O)CCCCCNC(=O)c2ccccc2)n1 2331397135 LMHADOBXUNDQSL-UHFFFAOYSA-N 487.669 7.199 50 10 JKGE CCOc1c(Br)cc(C=C(C#N)c2nc(-c3ccc(OC)c(C)c3C)cs2)cc1OC 2331468281 SIPPAHSXKALRMQ-UHFFFAOYSA-N 499.430 6.670 50 10 JKGE Cc1c(Br)csc1[C@H](Cl)c1c(F)cc(Cl)c(Br)c1Cl 2335300953 BJXFYZMDZNDIRF-LLVKDONJSA-N 467.412 7.356 50 10 JKGE Clc1ccc(C[C@H](Cl)c2ccc(OCc3ccccc3)cc2Br)cc1Cl 2336050473 KVWPPJZBIKXXJV-FQEVSTJZSA-N 470.621 7.858 50 10 JKGE CCC(CC)([C@H](Br)c1cc(Br)ccc1OCc1ccccc1)C(F)(F)F 2336074254 DGXHVLPZDBQFQW-GOSISDBHSA-N 494.189 7.833 50 10 JKGE Cn1ncc(Br)c1[C@H](Cl)c1c(Cl)cc(Br)c(F)c1Br 2337093284 COIBZFRZXBBEGB-SECBINFHSA-N 495.799 5.828 50 10 JKGE CC1(C)C[C@@H](CBr)CN(Cc2ccc(Cl)c(I)c2)C1 2337229725 LCOXRGXKQIHMIL-LBPRGKRZSA-N 456.593 5.188 50 10 JKGE Cc1c([C@@H](Br)c2ccc(Br)cc2Br)ccc(Cl)c1Cl 2339052563 KSRZHAKVTZTPCV-CYBMUJFWSA-N 487.844 7.311 50 10 JKGE Cc1cc(Br)c(F)c(Br)c1[C@@H](Br)C1(CC(C)C)CC1 2339657372 XMRQTXIANLKDDJ-CQSZACIVSA-N 457.019 6.921 50 10 JKGE COc1c(Br)cc(C)c([C@H](Br)[C@H]2C[C@H]2C(C)C)c1Br 2339679959 QUPOYXKSZCKIQJ-OUJBWJOFSA-N 455.028 6.257 50 10 JKGE Cc1cc(Br)c(F)c(Br)c1[C@H](Br)[C@H]1C(F)(F)C12CC2 2339682471 SPHDDCXBWKGCJV-GXSJLCMTSA-N 462.929 6.140 50 10 JKGE CC(C)[C@H](Br)C(C)(C)CNC(=O)c1csc(Br)c1Br 2340299525 UCQNWGLOGYBXMQ-JTQLQIEISA-N 476.072 5.449 50 10 JKGE Cl[C@@H]1[C@H](Cc2ccc(I)c(Br)c2)C[C@@H]2CCCC[C@H]21 2349779251 SGFQFWPPSZXUJA-VPWBDBDCSA-N 453.589 6.030 50 10 JKGE Fc1ccc2cc([C@@H](Cl)c3cc(Br)ccc3OCc3ccccc3)sc2c1 2361208030 PWEHBFAUPJHFBW-QFIPXVFZSA-N 461.783 7.710 50 10 JKGE CCCCO[C@@H]1[C@@H](Br)C[C@@H]1OCc1cc(Br)cc(Br)c1 2362249014 FGFKWSMIPIMUNM-SOUVJXGZSA-N 471.027 5.449 50 10 JKGE Cc1cc(Br)c(F)c(Br)c1[C@@H](Br)c1c(F)cccc1F 2365177960 GCDZVDRTBZTYNE-GFCCVEGCSA-N 472.924 6.422 50 10 JKGE COc1c(Br)cc(C)c([C@H](Br)C2(C(C)C)CCC2)c1Br 2365192147 AOOWFADNVQNEOJ-HNNXBMFYSA-N 469.055 6.791 50 10 JKGE COc1ccc(OCc2cc(I)ccc2Br)c(CCl)c1 2367520688 XDVLYNTURPHFHF-UHFFFAOYSA-N 467.528 5.380 50 10 JKGE Cc1ccc(C[C@H]2S/C(=C(\C#N)C(=O)Nc3ccc(F)cc3)N(c3ccccc3)C2=O)cc1Cl 2308200 ASJRBZPJEQIGSK-QPSWJSTDSA-N 491.975 5.853 50 10 JKGE N#CC1=C(N)N2C(=C(C#N)[C@@H]1c1ccc(-c3ccc(Cl)c(Cl)c3)o1)Sc1ccccc12 2428236 GJIUJQZXHHZUAJ-OAQYLSRUSA-N 463.349 6.392 50 10 JKGE O=C(N/N=C/c1c2ccccc2cc2ccccc12)c1[nH]c(-c2ccccc2)cc1-c1ccccc1 12574216 MPRXGXMJQPQDRO-QNKGDIEWSA-N 465.556 7.419 50 10 JKGE COc1ccc(/C(C#N)=C\c2ccc(OC(=O)/C=C/c3ccc(C(C)C)cc3)c(OC)c2)cc1OC 31902093 WEGDUSKUHBDUOY-BMCDNFOOSA-N 483.564 6.519 50 10 JKGE CCCCOc1ccc(/C=C(\C#N)C(=O)Nc2sc(C)c(-c3ccccc3)c2C(=O)OC)cc1 33347173 JCCOCYQMOBNGQN-LTGZKZEYSA-N 474.582 6.235 50 10 JKGE CCOc1ccccc1[C@H]1C(C#N)=C(N)Oc2cc(OC(=O)c3cccc4ccccc34)ccc21 38650525 WOYMJPVUZIRSFK-HHHXNRCGSA-N 462.505 5.676 50 10 JKGE CCCCOc1cccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4ccc(OC)cc4)ccc32)c1 38685047 QYLFKCBVVBTVCJ-AREMUKBSSA-N 470.525 5.311 50 10 JKGE CCOc1cccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4ccc(OC)c(Cl)c4)ccc32)c1 38701237 IIEBTYGLGDCMPU-XMMPIXPASA-N 476.916 5.185 50 10 JKGE Cc1ccc2cccc(OC(=O)c3oc4c(c3C)/C(=N/NC(=O)c3ccccc3F)CCC4)c2n1 40812489 PGVWQQMNCBKLOI-TWKHWXDSSA-N 471.488 5.273 50 10 JKGE COc1cc(/C=C(\C#N)C(=O)NCc2ccccc2)ccc1OC(=O)c1ccc(-c2ccccc2)cc1 40869958 UXXYPAWMMNBMJP-OVVQPSECSA-N 488.543 5.805 50 10 JKGE CCCCCCCOc1ccc(C(=O)NNC(=O)c2ccc(NC(=O)c3cccc(C)c3)cc2)cc1 100153659 YVLWFSCXSOXZAV-UHFFFAOYSA-N 487.600 5.671 50 10 JKGE CC1=C(C#N)C(=O)N(CCc2ccccc2)C(=O)/C1=C/c1ccc(-c2ccc(Cl)cc2Cl)o1 101338203 OLCFQWBSWZPLFL-KGENOOAVSA-N 477.347 6.088 50 10 JKGE CCCCOc1ccc(/C=C(/C#N)C(=O)Oc2ccc(/C=C(/C#N)C(=O)NCc3ccco3)cc2)cc1 103740658 WBSBXHWXRHQLMQ-KHFFFTKUSA-N 495.535 5.194 50 10 JKGE CCOc1cc(Br)c([C@@H](Br)c2ccc(Br)o2)cc1OCC 109864868 YAAPEYBEGHCRKQ-OAHLLOKOSA-N 482.994 6.086 50 10 JKGE COc1ccc([C@@H](Br)c2cc(Br)sc2Br)c(OC)c1 109870098 GVIATTSGXMTIMY-GFCCVEGCSA-N 471.008 5.775 50 10 JKGE Cc1ncc(CC(CBr)(CBr)c2ccc(Br)cc2)s1 118671826 UXAULROQJMCEMP-UHFFFAOYSA-N 468.052 5.484 50 10 JKGE COc1c(Br)cc(Cl)cc1[C@@H](Br)c1cc(C)c(Br)s1 126035790 FVKVXTZQYLRKNH-LLVKDONJSA-N 489.454 6.728 50 10 JKGE Cc1cc(Br)c([C@H](Br)c2ccc3c(c2)COC3)cc1Br 128803414 FLPDBRYRNBDLJD-MRXNPFEDSA-N 460.991 6.035 50 10 JKGE Fc1c(F)c(F)c(P(Cl)(Cl)(Cl)c2c(F)c(F)c(F)c(F)c2F)c(F)c1F 140441637 MHJWEVPELOAYIK-UHFFFAOYSA-N 471.445 6.043 50 10 JKGE CCOc1ccc(Br)cc1[C@@H](Br)c1cccc(F)c1Br 156109296 KUERWGTUYPATIR-AWEZNQCLSA-N 466.970 6.234 50 10 JKGE O=C(/C=C\c1ccc(Cl)c(C(F)(F)F)c1)NNC(=O)c1ccc(COc2ccccc2)o1 209460685 KSVRRRKXGGGAHX-XFFZJAGNSA-N 464.827 5.005 50 10 JKGE O=C(Nc1ccccc1CBr)c1cc(I)ccc1Br 232481762 PZMYZNJLJWSESL-UHFFFAOYSA-N 494.952 5.201 50 10 JKGE CC(C)(C)c1ccc([C@H](Br)c2cc(Br)cc(Br)c2)s1 232511943 ZDABQOJTOZUYMI-CQSZACIVSA-N 467.064 7.055 50 10 JKGE COc1ccc([C@H](Br)c2cc(Cl)ccc2Br)c(Br)c1 234993688 LPNGOHRXEMBCCG-AWEZNQCLSA-N 469.398 6.358 50 10 JKGE Cc1cc(F)c([C@@H](Br)c2ccc(Br)cc2Br)cc1F 235920543 TUIYZEFCLSGEEC-AWEZNQCLSA-N 454.934 6.283 50 10 JKGE Fc1cccc(Cl)c1C[C@@H](Cl)c1cc(Br)ccc1I 236142981 FWXQVRHAYFTOTO-GFCCVEGCSA-N 473.938 6.369 50 10 JKGE CC(=NNC(=O)c1ccc(COc2ccc(C(C)(C)C)cc2)cc1)c1ccc(OC(F)F)cc1 254443479 OBNKNRLZEYSKLS-UHFFFAOYSA-N 466.528 6.319 50 10 JKGE O=C(COc1ccc(Cl)cc1Cl)NN=Cc1ccc(-c2cccc(C(F)(F)F)c2)o1 254488703 QAZQYKOOZIKBJT-UHFFFAOYSA-N 457.235 5.801 50 10 JKGE Cc1ccc(S(=O)(=O)OC[C@H](C)[C@@H]2CC[C@@H]3[C@H](O[Si](C)(C)C(C)(C)C)CCC[C@@]23C)cc1 256442405 YPZVZHFTOWMQHV-LFFUDGMSSA-N 480.787 6.943 50 10 JKGE BrCc1cc2sc(I)cc2cc1I 307393255 AJQGTMMEULRSIE-UHFFFAOYSA-N 478.918 5.005 50 10 JKGE O=S(=O)(c1c(Cl)cc(Br)cc1Cl)N(CCCl)Cc1ccccc1 309564037 VBVYJEOBINQPIF-UHFFFAOYSA-N 457.604 5.186 50 10 JKGE C[C@@H]1[C@H](n2c(CCl)nc3cc(I)ccc32)CCN1Cc1ccccc1 385278136 RETTWSMSNVHOCR-RDTXWAMCSA-N 465.766 5.215 50 10 JKGE Cl[C@H](c1sccc1I)c1csc2c(Br)cccc12 385723745 NMONFWQCLSEPDU-NSHDSACASA-N 469.594 6.658 50 10 JKGE C[C@H](Cl)c1nc2ccc(Br)cc2n1CCCN(Cc1ccccc1)Cc1ccccc1 390635947 JOAFSVZLISXDHB-FQEVSTJZSA-N 496.880 7.191 50 10 JKGE CN(C(=O)OC(C)(C)C)c1ccc([C@@H]2CN(CCO[Si](C)(C)C(C)(C)C)CCCO2)cc1 616680164 OICKVXDIESSDPT-QFIPXVFZSA-N 464.723 5.843 50 10 JKGE CO[C@H]1CCC[C@@H](C(CBr)(CBr)c2cccc(Br)c2)C1 686321687 PHQISGMMSJPAIP-HIFRSBDPSA-N 469.055 5.682 50 10 JKGE Brc1cc([C@@H](Br)c2ccsc2Br)sc1Br 698672082 MFEUDXLVHSVBEJ-ZETCQYMHSA-N 495.881 6.581 50 10 JKGE Cl[C@@H](c1ccc(Br)cc1)c1ccc(I)c(Br)c1 721585326 GXBPLPGHEIHYQN-ZDUSSCGKSA-N 486.372 6.144 50 10 JKGE O=C(NN=Cc1ccc(Br)s1)c1[nH]c(-c2ccccc2)cc1-c1ccccc1 725414173 RCXKJFFOJJDUMO-UHFFFAOYSA-N 450.361 5.937 50 10 JKGE O=C(NN=Cc1ccccc1OCc1ccccc1)c1ccc(CSc2ccccc2)cc1 1084028490 FSHILPKVHIWBAS-UHFFFAOYSA-N 452.579 6.322 50 10 JKGE O=C(NN=C(Cc1ccccc1)c1ccc(-c2ccccc2)cc1)c1cccc(N2CCCC2=O)c1 1084065336 NRIMQBMJSGXQIN-UHFFFAOYSA-N 473.576 5.857 50 10 JKGE Cc1cc(C=NNC(=O)CSc2ccc(Cl)cc2)c(C)n1-c1ccc(Br)cc1 1084358923 JWLOIRLEKDMDET-UHFFFAOYSA-N 476.827 5.752 50 10 JKGE COc1cc(/C=C(/C#N)C(=O)Nc2cccc(Cl)c2Cl)cc(Br)c1OC 1084464967 DZJZZRXPDZYDHI-WDZFZDKYSA-N 456.123 5.319 50 10 JKGE Cc1cc(C=NNC(=O)c2cc3cc(Br)ccc3o2)c(C)n1-c1ccc(F)c(Cl)c1 1084513366 QVYIEPDFJYNKBV-UHFFFAOYSA-N 488.744 6.159 50 10 JKGE CCc1ccc(OCC(=O)NN=Cc2ccc(Sc3nc4ccccc4s3)c([N+](=O)[O-])c2)cc1 1084653145 RAXNWSYRPSYIJB-UHFFFAOYSA-N 492.582 5.447 50 10 JKGE CCN(C(=O)c1oc2c(c1C)C(=NNC(=O)c1ccc3ccccc3n1)CCC2)c1ccccc1 1772751068 GLXDWPYCBMGYCW-UHFFFAOYSA-N 466.541 5.273 50 10 JKGE Cc1ccc(C)c(NC(=O)c2oc3c(c2C)C(=NNC(=O)c2ccc4ccccc4n2)CCC3)c1 1772751351 PBLPLKLCEVENMX-UHFFFAOYSA-N 466.541 5.476 50 10 JKGE CCc1nn(Cc2cc(C)ccc2C)c2c1[C@@H](c1c(Cl)cccc1Cl)C(C#N)=C(N)O2 1865686500 WMJWHSVAAPDAHN-HXUWFJFHSA-N 453.373 5.636 50 10 JKGE COc1ccc(-c2nn(CC(C)C)c3c2[C@@H](c2ccc(Cl)cc2Cl)C(C#N)=C(N)O3)cc1 1865686506 WQFWMKSKMZUHRT-FQEVSTJZSA-N 469.372 5.740 50 10 JKGE CCOc1c(OC)cccc1[C@H]1C(C#N)=C(N)Oc2c1c(-c1ccc(OC)cc1)nn2-c1ccccc1 1865694016 TUNPNHNRQOPKCY-DEOSSOPVSA-N 494.551 5.173 50 10 JKGE CCc1nn(Cc2cc(C)ccc2C)c2c1[C@H](c1ccc(C(F)(F)F)cc1)C(C#N)=C(N)O2 1865710809 JDFOIKCBZILDTI-OAQYLSRUSA-N 452.480 5.348 50 10 JKGE COc1ccc(-c2nn(Cc3cccc(F)c3)c3c2[C@@H](c2ccccc2C)C(C#N)=C(N)O3)cc1 1865712982 NPBLJDAQMPZKBT-DEOSSOPVSA-N 466.516 5.273 50 10 JKGE CCCC[C@@H](NC(=O)[C@H](Cc1ccncc1)c1ccccc1)C(=O)Nc1ccc(SC#N)cc1 1866703716 WKIGVQMYVVFYRP-JWQCQUIFSA-N 472.614 5.295 50 10 JKGE CCCN(CCCN(C)C)c1cc(Nc2ccc(SC#N)cc2)nc(-c2ccccc2C)n1 1868300583 FOTDRXPMYYQRCI-UHFFFAOYSA-N 460.651 5.937 50 10 JKGE COc1ccc(/C=C(\C#N)c2ccccc2[N+](=O)[O-])cc1OCc1ccc(Cl)c(Cl)c1 1872729469 LWSKDKAYTUMFTC-LICLKQGHSA-N 455.297 6.553 50 10 JKGE Cc1ccc(C(C)(C)C)cc1-c1csc(/C(C#N)=C(\O)c2ccc(N(C)C)c([N+](=O)[O-])c2)n1 1872756028 QLJGPZQJFZTXKS-NMWGTECJSA-N 462.575 6.340 50 10 JKGE Cc1cc(C)c(-c2csc(/C(C#N)=C(\O)c3ccc4c(c3)C(=O)N(Cc3ccco3)C4=O)n2)c(C)c1 1872756135 SCQXTNDPLVIYKJ-LVWGJNHUSA-N 495.560 6.074 50 10 JKGE COc1c(C)cc(Cl)cc1-c1csc(/C(C#N)=C(\O)[C@H]2CC(=O)N(Cc3ccccc3)C2)n1 1872756783 APNGDARQMYJFDK-DVCONVQISA-N 479.989 5.622 50 10 JKGE COc1ccc(-c2csc(/C(C#N)=C/c3ccc(OCc4ccc(C)cc4)cc3)n2)cc1F 1872792275 PILLNUJKYPNUQI-LPYMAVHISA-N 456.542 6.909 50 10 JKGE Clc1cc(I)c([C@H](Br)[C@H]2C[C@@H]2Br)s1 1888109155 YXVNCYUPLSYIPG-VJJSXZLQSA-N 456.368 5.226 50 10 JKGE Cl[C@@H](c1ccc(OCc2ccccc2)cc1Br)c1csnc1Br 1899849556 NNHPRYQTEPBJPW-INIZCTEOSA-N 473.617 6.575 50 10 JKGE Cc1cc([C@H](Br)c2cc(Br)ccc2OCc2ccccc2)cs1 1899858442 GPIBKYAQIGLOPV-IBGZPJMESA-N 452.211 6.882 50 10 JKGE Clc1cccc(CN(Cc2ccccc2)[C@H](CBr)C2CC2)c1Br 1915164163 GQHNZRVNALEXOI-GOSISDBHSA-N 457.637 6.278 50 10 JKGE O=C(c1cc(Br)sc1Br)N1[C@H]2CCC[C@H]1CC(Br)C2 1922808291 RPXGBYMCCSDTKM-IUCAKERBSA-N 472.040 5.194 50 10 JKGE COCc1csc([C@@H](Br)c2sc(Br)c(C)c2Br)c1 1922907433 UGXYQIVMQHMPDS-SNVBAGLBSA-N 475.065 6.274 50 10 JKGE C[C@@H]([C@@H](Br)c1c(Br)sc(Br)c1Cl)C(C)(F)F 1923068724 VQGZERXFNQBLKA-WVZVXSGGSA-N 461.391 6.654 50 10 JKGE Brc1cccnc1C[C@@H](Br)c1ccc(I)cc1 1924905806 CVONRLNKKUAULF-GFCCVEGCSA-N 466.942 5.127 50 10 JKGE Brc1ccc([C@@H](Br)c2csc(Br)c2Br)s1 1930627860 KZSUUCKCSCWJCU-ZETCQYMHSA-N 495.881 6.581 50 10 JKGE CCc1cc(Br)c([C@H](Br)c2sccc2I)s1 1936756994 QANUZYKCGGGZBS-VIFPVBQESA-N 492.039 6.223 50 10 JKGE Cc1cc(Br)c([C@H](Br)c2c(Br)sc(C)c2C)s1 1951014315 HQMUWOCHUAWZAY-SNVBAGLBSA-N 459.066 6.744 50 10 JKGE C[C@](CCCC[C@@H]1CCSS1)(CC(=O)O)NC(=O)OCC1c2ccccc2-c2ccccc21 1951854677 KESJILGVBRRZKV-DWXRJYCRSA-N 485.671 6.473 50 10 JKGE C[C@@]1([C@@H](Br)c2cc(Br)c(Br)s2)CCCC1(F)F 2002581915 INXRSTZFADRFMU-WPRPVWTQSA-N 452.984 6.535 50 10 JKGE C[C@@]1([C@H](Br)c2c(Br)sc(Br)c2Cl)CCCOC1 2015965877 UVMVNIJWNJGNEJ-LDYMZIIASA-N 467.448 6.179 50 10 JKGE Brc1scc([C@@H](Br)c2ncn3ccsc23)c1Br 2024754436 UMVOLVZCBYVCLV-ZCFIWIBFSA-N 457.010 5.467 50 10 JKGE Clc1ccc([C@@H](Br)c2c(Br)cccc2Br)c(Cl)c1 2033084656 RYQIGRIBJPINNB-CYBMUJFWSA-N 473.817 7.003 50 10 JKGE CCc1nc([C@@H](Br)Cc2cccc(Br)c2)c(Br)s1 2050332898 DDCJFRVRERVWBD-JTQLQIEISA-N 454.025 5.909 50 10 JKGE O=C(CCCCl)Nc1ccc(OCc2ccc(Cl)c(Cl)c2)c(Br)c1 2060405910 QLSYCVFYAMBSGW-UHFFFAOYSA-N 451.575 6.292 50 10 JKGE FC1([C@@H](Br)c2c(Br)sc(Br)c2Cl)CC2(CCC2)C1 2064540656 OAEXRFBXTASLAU-QMMMGPOBSA-N 481.450 7.035 50 10 JKGE Cc1c(Br)sc([C@H](Br)C2(F)CC3(CCC3)C2)c1Br 2064541153 SHROIZZDYMTRCA-JTQLQIEISA-N 461.032 6.690 50 10 JKGE CC(C)(C)c1ccc(O)c(-n2nc(CBr)c(Br)c2C(F)(F)F)c1 2079236357 UMUVBDOVUNTJIV-UHFFFAOYSA-N 456.100 5.552 50 10 JKGE Cl[C@@H](Cc1ccccc1Br)c1ccc(Br)cc1Br 2083331616 AXXVSUDGYKXSPX-AWEZNQCLSA-N 453.399 6.497 50 10 JKGE Cc1c(Br)cccc1[C@H](Br)c1ccc(Br)cc1Br 2083338695 OEZVQILCNKTWNE-AWEZNQCLSA-N 497.850 6.767 50 10 JKGE Clc1ccc(I)c(CN2CC3(CC[C@@H]2CBr)CC3)c1 2097881612 HSDFXTQHNTYWIU-CYBMUJFWSA-N 454.577 5.084 50 10 JKGE ClCc1ccc(Br)c(Cl)c1N1C[C@@H]2CCN(Cc3ccccc3)C[C@@H]2C1 2098116839 KQYWAEXOUMUSFG-ZWKOTPCHSA-N 454.239 5.800 50 10 JKGE F[C@@H](CBr)C1CCN(Cc2c(Br)cccc2Br)CC1 2106954285 AALZSXSTOYLNMM-AWEZNQCLSA-N 458.007 5.157 50 10 JKGE FCCOc1cccc([C@H](Br)c2cc(Br)c(Br)s2)c1 2132982112 YCINCQPOPNTOML-LBPRGKRZSA-N 472.999 6.106 50 10 JKGE CO[C@@H]1CC[C@@H]1C[C@H](Br)c1c(C)c(Br)cc(C)c1Br 2136380268 SWPRURJOUOUDJH-KGYLQXTDSA-N 455.028 6.080 50 10 JKGE COc1c(Cl)cc(Br)cc1[C@H](Br)c1cn(C)nc1Br 2138237732 AXWQEIJUIPOQHR-JTQLQIEISA-N 473.390 5.091 50 10 JKGE Cc1c(Br)ccc([C@H](Br)C2CC(C3CCC3)C2)c1Br 2138854623 UFGNZMGQHMBHDQ-ZEPSKSRBSA-N 451.040 6.782 50 10 JKGE Cc1cccc([C@H](Cl)c2cc(Br)c3c(c2)CCO3)c1I 2146618675 DVMCSTXONLIIBQ-CQSZACIVSA-N 463.540 5.625 50 10 JKGE O=C(NC[C@@H]1CCCC[C@@H]1CBr)c1c(Br)cccc1Br 2150491681 RPCNFIHTANAWGD-MNOVXSKESA-N 468.027 5.143 50 10 JKGE C[C@H](c1cccs1)N(Cc1ccccc1)c1cc(C(F)(F)F)ccc1CBr 2155758430 DQJVQWDBMLQKBD-OAHLLOKOSA-N 454.355 7.430 50 10 JKGE O=S(=O)(c1cc(CBr)cc(F)c1F)N(Cc1ccccc1)CC1CCCC1 2179858643 RFSRFBPFGCZVSN-UHFFFAOYSA-N 458.368 5.241 50 10 JKGE FC(F)[C@H]1CN(Cc2ccccc2)C[C@@H]1n1c(CCl)nc2cc(Br)ccc21 2193241498 DFMPJGLMJGRGIJ-YJBOKZPZSA-N 454.746 5.476 50 10 JKGE COc1cc(C)c([C@@H](Br)c2cc(C)ccc2Br)cc1Br 2198736321 CLNZWTCQOIJPTE-MRXNPFEDSA-N 463.007 6.321 50 10 JKGE Clc1ccc([C@H](CI)OCc2cc(Cl)ccc2Br)cc1 2200751294 LDBVEFLMWIDNPA-HNNXBMFYSA-N 485.974 6.449 50 10 JKGE Cc1cc(Br)c(C)c([C@@H](Br)C(C)(C)CC(F)(F)F)c1Br 2201065022 MNISOMUTDVJRIK-GFCCVEGCSA-N 480.988 7.243 50 10 JKGE Cc1cc(Br)c(C)c([C@H](Cl)c2c(Cl)cccc2Cl)c1Br 2201078194 NLIZKIUNKIHFRD-HNNXBMFYSA-N 457.420 7.463 50 10 JKGE Brc1ccc([C@H](Br)[C@@H]2CCC[C@H]3CCCC[C@@H]32)c(Br)c1 2203687510 RSGYWYXYGIKTAL-ABYLEIOUSA-N 465.067 7.254 50 10 JKGE Clc1cccc(C[C@H](CBr)Cc2ccc(I)c(Cl)c2)c1 2208046316 VQFMCQFAEYYASB-ZDUSSCGKSA-N 484.002 6.394 50 10 JKGE Cc1cc(Br)c([C@H](Br)CC2C[C@H]3C[C@@H]3C2)c(C)c1Br 2227350664 XXJBLUYVVACLGI-SGMGOOAPSA-N 451.040 6.701 50 10 JKGE C[C@H](Cl)c1nc2c(F)cc(Br)cc2n1C1(CCOCc2ccccc2)CC1 2232923057 YRJZEARWFHZPMB-AWEZNQCLSA-N 451.767 6.334 50 10 JKGE COc1cccc([C@H](Br)c2cc(Br)c(Br)cc2F)c1F 2233991286 AUHAIHVBCWEPPN-ZDUSSCGKSA-N 470.933 5.983 50 10 JKGE Clc1cc([C@@H](Br)c2cc(Br)co2)c(Cl)c(Cl)c1Cl 2258119650 XOIPYJLXVAMROR-MRVPVSSYSA-N 453.772 7.140 50 10 JKGE COc1ccc([C@H](Br)c2cc(Br)c(Br)s2)c(C)c1C 2269177684 MDWMDYPSTWZFNA-ZDUSSCGKSA-N 469.036 6.383 50 10 JKGE CC1([C@@H](Br)c2c(F)cc(Br)c(F)c2Br)CCOCC1 2272727742 VFILJLDPPOCISL-LBPRGKRZSA-N 462.954 5.743 50 10 JKGE COc1c(Br)cc(Cl)cc1[C@H](Br)c1sc(C)cc1Br 2277990900 PUGPSWBQZOBCJF-NSHDSACASA-N 489.454 6.728 50 10 JKGE CCn1ncc(Br)c1[C@H](Br)c1cc2sc(Br)cc2s1 2278113813 ZUTAEQPAJSMRMZ-LLVKDONJSA-N 485.064 6.189 50 10 JKGE COc1cc(C)c(Br)cc1[C@H](Cl)c1c(F)cccc1I 2282895493 YLXLSWNVLHWEJH-HNNXBMFYSA-N 469.519 5.838 50 10 JKGE CCn1cc([C@@H](Br)c2ccc(OC)c(Cl)c2Br)nc1Br 2283561537 GZWOKPMRJYZKDI-JTQLQIEISA-N 487.417 5.574 50 10 JKGE BrC[C@@H](CCc1ccccc1)Cc1cc(Br)ccc1Br 2286757176 LBIZAXXXQOSRKH-AWEZNQCLSA-N 461.035 6.398 50 10 JKGE Fc1cc(Br)c(F)c(Br)c1[C@H](Cl)c1cscc1C(F)F 2288481772 ZSPFZTMRACQJMX-SNVBAGLBSA-N 452.492 6.817 50 10 JKGE C[C@H]1O[C@@]2([C@@H](Br)c3c(F)cc(Br)c(F)c3Br)CC[C@H]1C2 2288489372 SRNJCOHEVKUFAL-ZNNYPSHMSA-N 474.965 5.883 50 10 JKGE O=C(NNc1ccccc1)C(=Cc1c2ccccc2cc2ccccc12)NC(=O)c1ccccc1 2295869303 XDIRSMJDIBQTSH-UHFFFAOYSA-N 457.533 5.907 50 10 JKGE C=CCOc1ccc(-c2nn(-c3ccccc3)cc2C=C(C#N)C(=O)N[C@@H](C)c2ccccc2)cc1C 2296730259 MYVYRAVFAMWUSI-QHCPKHFHSA-N 488.591 6.197 50 10 JKGE O=C(NC(=Cc1ccc(Cl)cc1)P(=O)(c1ccccc1)c1ccccc1)c1ccccc1 2297476565 CABXEBKNOCYUFI-UHFFFAOYSA-N 457.897 6.083 50 10 JKGE COc1cc(C=NNC(=O)[C@@H]2C[C@H]2c2ccccc2)ccc1OCc1cccc2ccccc12 2297659896 ULSQCQJGIHXWRR-IZZNHLLZSA-N 450.538 5.681 50 10 JKGE FC(F)([C@@H]1CCOC1)[C@@H](Br)c1sc(Cl)cc1I 2300949382 LHOHCPFXGXKQGC-ANLVUFKYSA-N 457.505 5.114 50 10 JKGE Brc1cc(Br)c([C@@H](Br)[C@@H]2C[C@H]2C2CCCCC2)s1 2311502950 KSTBGZROYAXRSL-CWSCBRNRSA-N 457.069 6.926 50 10 JKGE Cc1ccc2c(O)nc(C(C#N)=Cc3cn(-c4ccccc4)nc3-c3ccc(Cl)cc3)nc2c1 2314490167 YIIFFBKTNUZLDB-UHFFFAOYSA-N 463.928 6.214 50 10 JKGE Cc1cccc(NC(=O)C(C#N)=Cc2c(Oc3ccc(C(C)(C)C)cc3)nc3c(C)cccn3c2=O)c1 2314533486 RHUXGUGRRPGKHE-UHFFFAOYSA-N 492.579 5.947 50 10 JKGE CCc1ccc(N2C(=O)[C@H](Cc3ccc(C)c(C)c3)SC2=C(C#N)C(=O)Nc2ccccc2)cc1 2314592933 DSLNAOWECXNVDJ-SANMLTNESA-N 481.621 5.931 50 10 JKGE CC1=C(C#N)C(=O)N(C)C(=O)C1=Cc1cn(-c2ccccc2)nc1-c1ccc(OCCC(C)C)cc1 2314617665 PXKOCDBPHWUHLC-UHFFFAOYSA-N 480.568 5.186 50 10 JKGE N#CC(=Cc1ccc(Br)cc1)C(=O)Nc1cc(C(F)(F)F)ccc1N1CCCCC1 2329661908 BLYWGANQPYJRAC-UHFFFAOYSA-N 478.312 6.004 50 10 JKGE COC(=O)c1ccc(C(C#N)=Cc2ccc(-n3nc(-c4ccccc4)cc3-c3ccccc3)cc2)o1 2331048442 GMIOHQSORMKOOK-UHFFFAOYSA-N 471.516 6.650 50 10 JKGE COc1cc(C(O)=C(C#N)c2nc(-c3ccc(C(C)(C)C)cc3)cs2)cc(OC)c1OC 2331331473 CRVGZXMDEIWTPT-UHFFFAOYSA-N 450.560 6.083 50 10 JKGE Cc1cccc(N2C(=O)c3ccc(C(O)=C(C#N)c4nc(-c5ccc(F)cc5)cs4)cc3C2=O)c1C 2331343625 GXYBSRRSQKYBEF-UHFFFAOYSA-N 495.535 6.317 50 10 JKGE COc1c(C)cc(C)cc1-c1csc(C(C#N)=C(O)COc2ccc(Cl)cc2Cl)n1 2331373211 MUSOSPGRWKSWLD-UHFFFAOYSA-N 461.370 6.614 50 10 JKGE COc1ccc(-c2csc(C(C#N)=Cc3cc(Br)ccc3O)n2)c(OC)c1OC 2331492693 HGBUOJYRMZGTGM-UHFFFAOYSA-N 473.348 5.368 50 10 JKGE Cc1cc(Br)c(C)c([C@@H](Br)[C@@H]2[C@H]3COCC[C@H]32)c1Br 2332925951 VATQIABZAOBZIY-MHOHDPQLSA-N 453.012 5.547 50 10 JKGE Cc1cc([C@H](Br)c2c(F)cc(Cl)c(Br)c2Cl)oc1Br 2335287859 DXBIFGKLKCCDHN-JTQLQIEISA-N 495.795 7.043 50 10 JKGE Cc1cc(Br)c(C)c([C@H](Br)[C@@H]2COCC2(C)C)c1Br 2336199411 CCEJIXYVGGHEEZ-IINYFYTJSA-N 455.028 5.937 50 10 JKGE Fc1c(Br)cc(Cl)c([C@H](Br)[C@@H]2[C@H]3CCOC[C@H]32)c1Br 2337082325 KGCVIDJLDZZQMV-WQRVWIMNSA-N 477.393 5.723 50 10 JKGE BrCC1(OCc2cc(Br)cc(Br)c2)CCCCCC1 2337095434 ALZYMFMLTPIXDY-UHFFFAOYSA-N 455.028 6.216 50 10 JKGE COc1ccc(CCC(CBr)(CBr)C(C)C)c(Br)c1 2339441838 BBPLZLKILVYZKV-UHFFFAOYSA-N 457.044 5.823 50 10 JKGE CC1(C)CC[C@@H](Br)[C@@H](Cc2ccc(Cl)cc2I)CC1 2341028908 ZVJJZGMLUXFDRW-BXUZGUMPSA-N 455.605 6.467 50 10 JKGE CCC[C@H](CC)CC(CBr)(CBr)c1ccccc1Br 2353451258 WHAYKGUBOOLUJB-ZDUSSCGKSA-N 455.072 6.693 50 10 JKGE Fc1cc(Br)c(Br)cc1[C@H](Br)[C@@H]1COC2(CCC2)CO1 2364134574 KIKAYEUGLCBYKE-STQMWFEESA-N 472.974 5.125 50 10 JKGE CCCC[C@@H](C)CC[C@@H](Br)c1c(C)cc(Br)c(F)c1Br 2365194837 VRDMDKMCEUTULD-ZYHUDNBSSA-N 473.062 7.702 50 10 JKGE COc1c([C@@H](Br)c2csc(C)c2Br)cc(Br)c(C)c1C 2369483407 XVPJNCVXIWHNJD-CQSZACIVSA-N 483.063 6.691 50 10 JKGE O=C(c1scc(Br)c1Cl)N1CCC[C@@H](Br)[C@@H]1C(F)(F)F 2370254638 NTVWBYKKRCYDCA-MLUIRONXSA-N 455.521 5.094 50 10 JKGE COc1c(F)cc([C@@H](Cl)c2cc(Br)ccc2I)cc1F 2370435440 WYHUWVZTLJTREQ-CYBMUJFWSA-N 473.482 5.669 50 10 JKGE C[C@@H]1CCC[C@]12[C@@H](Cl)C[C@@H]2OCc1ccc(I)c(Br)c1 2377592654 BSILJKHEJSNSLJ-GCUJQHFUSA-N 469.588 5.756 50 10 JKGE N#Cc1ccc(C(=O)N(/N=C/c2coc3ccccc3c2=O)c2nc3ccc(F)cc3s2)cc1 9149150 YYACTDOBPSSFQQ-XODNFHPESA-N 468.469 5.094 50 10 JKGE COc1ccccc1/C(C#N)=C\c1ccc(OC(=O)[C@H](C)Oc2ccc(Cl)cc2Cl)cc1 31900723 WRAOXKCWKIPISQ-CQUHBBLWSA-N 468.336 6.439 50 10 JKGE CCOc1ccc(/C=C/C(=O)Oc2ccc(/C=C(/C#N)c3ccccc3F)cc2OC)cc1OC 31901782 RFOUIYZWQDUSOF-DRXPRRSGSA-N 473.500 5.925 50 10 JKGE COc1cc(/C=C(/C#N)c2ccccc2OC)ccc1OC(=O)c1ccccc1Br 31901935 IJALJGWRNRSNDP-LGMDPLHJSA-N 464.315 5.750 50 10 JKGE Cc1ccc(Oc2nc3c(C)cccn3c(=O)c2/C=C(\C#N)c2nc3ccccc3s2)c(C)c1 33590283 AEDZKEQYCZAKDX-XMHGGMMESA-N 464.550 6.086 50 10 JKGE CCCCOc1ccc(/C=C(/C#N)C(=O)Nc2sc3c(c2C(=O)OC)CC[C@H](C)C3)cc1 34904024 XOUXNJZACIHUJI-IYWFSZBXSA-N 452.576 5.384 50 10 JKGE COc1ccc(/C=C(/C#N)C(=O)Nc2ccc(F)cc2)cc1OC(=O)c1cccc2ccccc12 35073347 CFUIBPWYQNVYSG-HKWRFOASSA-N 466.468 5.752 50 10 JKGE Cc1ccc(C(C)C)c(Oc2nc3ccccn3c(=O)c2/C=C(/C#N)c2nc3ccccc3s2)c1 35549826 FTYLTMHQJAQLMK-CYVLTUHYSA-N 478.577 6.593 50 10 JKGE CCCn1c(-c2ccc(C(=O)NNC(=O)c3ccc(Cl)cc3Cl)s2)nc2ccccc21 35554267 UGSJMOUVUGHLTA-UHFFFAOYSA-N 473.385 5.556 50 10 JKGE CC(C)(C)c1ccc(OCC(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@@H]3c2ccc([N+](=O)[O-])cc2)cc1 38654868 WOLSHWGRSDSUQJ-AREMUKBSSA-N 499.523 5.095 50 10 JKGE COc1ccc(OC)c([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4cccc5ccccc45)ccc32)c1 38659875 SCWHNABXBGAVRQ-HHHXNRCGSA-N 478.504 5.294 50 10 JKGE CCc1ccc(O[C@H](C)C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@H]3c2c(F)cccc2Cl)cc1 38680641 PRMYQUXKAMTXPJ-MYYSRTQBSA-N 492.934 5.633 50 10 JKGE C=CCOc1ccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4ccc(Cl)cc4)ccc32)cc1OC 38680852 WUXPEJOLSUOGRT-VWLOTQADSA-N 488.927 5.351 50 10 JKGE CCOc1ccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4oc5ccc(CC)cc5c4C)ccc32)cc1 38701392 BTHHQEGIBSYKFW-MHZLTWQESA-N 494.547 6.140 50 10 JKGE Nc1c(NNC(=O)C(c2ccccc2)c2ccccc2)ncnc1Sc1ccc(Cl)cc1 40723078 PMRJLADNYUKGGL-UHFFFAOYSA-N 461.978 5.139 50 10 JKGE Cc1c(C(=O)N(C)c2ccccc2)oc2c1/C(=N/NC(=O)c1ccc(Br)cc1)CCC2 40811788 YBLNLGLLACZQBO-LGUFXXKBSA-N 480.362 5.098 50 10 JKGE N#C/C(=C/c1cn(Cc2ccc(Cl)cc2Cl)c2ccccc12)C(=O)NCc1ccccc1 58826143 FZIOMYJJWRFCSE-NDENLUEZSA-N 460.364 6.220 50 10 JKGE COc1ccc(CNC(=O)/C(C#N)=C/c2cc(Br)ccc2OCc2ccc(C)cc2)cc1 59272368 IDMYLEOZOUOXIR-LPYMAVHISA-N 491.385 5.569 50 10 JKGE C#CCOc1c(Cl)cc(/C=N/NC(=O)c2cc3cc(Br)ccc3o2)cc1OCC 59304681 YKBNYUMKIIPDGY-WYMPLXKRSA-N 475.726 5.023 50 10 JKGE CCCCCCCOc1ccc(C(=O)NNC(=O)c2ccc(NC(=O)c3ccccc3)cc2)cc1 100153773 VXWFUCQVKUHLNS-UHFFFAOYSA-N 473.573 5.363 50 10 JKGE CC(C)CCC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC=C4CC[C@@H](OC(=O)CCCl)C[C@]4(C)[C@H]3CC[C@@]21C 100476247 YALMZSOWQWEZFX-FFGTZJSVSA-N 477.173 8.569 50 10 JKGE Brc1cc([C@H](Br)c2ccc3ccccc3c2)c(Br)s1 109870036 MCDLJQVTOOLHSC-CQSZACIVSA-N 461.016 6.911 50 10 JKGE Brc1cc([C@H](Br)c2ccc3c(c2)COC3)sc1Br 128203452 HYPGUNGNKNXEKZ-GFCCVEGCSA-N 452.993 5.788 50 10 JKGE Fc1cc2nc(CCl)n(-c3ccc(Cl)c(Br)c3)c2cc1Br 158666386 KDUNOKMRWDPYBQ-UHFFFAOYSA-N 452.936 6.082 50 10 JKGE COc1cc(Br)c([C@H](Br)c2ccc(C)cc2Br)cc1OC 161436405 FZYUYXCJJNIGRU-MRXNPFEDSA-N 479.006 6.022 50 10 JKGE N#C/C(=C/NCCc1cccc(Br)c1)C(=O)Nc1ccccc1Sc1ccccc1 217244039 JJUWOEFJNSCGSO-ZPHPHTNESA-N 478.415 5.779 50 10 JKGE CC(C)(C)c1ccc(OCCCNC(=O)Nc2ccc(SC#N)cc2)c(Br)c1 217298645 NAFIGLXYENFZER-UHFFFAOYSA-N 462.413 5.910 50 10 JKGE Brc1cc([C@H](Br)Cc2cccc3ccccc23)c(Br)s1 232477316 CZHAOMQQDGIBLU-CQSZACIVSA-N 475.043 7.105 50 10 JKGE O=C(Nc1ccc(CBr)cc1)c1cc(Br)ccc1I 232486582 PYILFELRWACBFK-UHFFFAOYSA-N 494.952 5.201 50 10 JKGE COc1ccc(Cl)cc1[C@@H](Cl)c1cc(Br)ccc1I 234865026 SNDHAWJTFPFRMU-AWEZNQCLSA-N 471.947 6.044 50 10 JKGE C[C@@H](Oc1cccc(Cl)c1)C(=O)NN=Cc1cccc(OCc2cccc(Br)c2)c1 252638549 YDXPDIREABZDRS-MRXNPFEDSA-N 487.781 5.599 50 10 JKGE Cc1ccc(Cn2c(SCC(=O)NN=C/C(Cl)=C/c3ccccc3)nc3ccccc32)cc1 254508987 FMKHOTPQCWILIO-QQHANQPWSA-N 475.017 5.867 50 10 JKGE O=C(NN=Cc1cccc(OCc2ccccc2)c1)c1cc(-c2ccccc2)nc2ccccc12 254565678 CFSQJOPJXNQWTP-UHFFFAOYSA-N 457.533 6.245 50 10 JKGE CC(=NNC(=O)Cc1ccc(Cl)cc1)c1ccc(NC(=O)C(F)(F)C(F)(F)C(F)(F)F)cc1 254905873 RHLCWDONPNKSFN-UHFFFAOYSA-N 497.798 5.194 50 10 JKGE CC(/C=C/c1ccccc1)=NNC(=O)CSc1nnc(-c2cccc([N+](=O)[O-])c2)n1-c1ccccc1 263631377 DESNOGRPZUKFEY-XJFIMGIFSA-N 498.568 5.140 50 10 JKGE O=C(OCc1ccccc1)N1C[C@@H](CCl)[C@@H](c2cc(I)ccc2F)C1 382709471 GKZVXJWPARRVKA-PBHICJAKSA-N 473.713 5.021 50 10 JKGE O=C(OCc1ccccc1)N1C[C@@H](CBr)[C@@H](c2ccc(F)c(Br)c2)C1 382739781 YWYMVYINOKSZHX-HZPDHXFCSA-N 471.164 5.335 50 10 JKGE ClCCc1nc2cc(I)ccc2n1Cc1ccsc1Br 388526977 FUMOQKHYMXQOGS-UHFFFAOYSA-N 481.584 5.295 50 10 JKGE Brc1ccccc1[C@@H]1CN(Cc2ccccc2)C[C@@H]1CI 394615508 KMHGLVCQIJAJSJ-DOTOQJQBSA-N 456.165 5.100 50 10 JKGE CC(C)(C)OC(=O)NCCN1CCC[C@@H](c2ccc(CO[Si](C)(C)C(C)(C)C)cc2)CC1 616629293 VCLQJMSMGQASSD-JOCHJYFZSA-N 462.751 6.303 50 10 JKGE COCc1cc(Br)c([C@@H](Cl)c2ccc(F)cc2I)s1 688078221 FCOBCGJBDREYLC-LBPRGKRZSA-N 475.548 5.729 50 10 JKGE C[C@@H]1Cc2cc(Br)cc([C@@H](Br)c3cscc3Br)c2O1 720022919 DVTIVOKIZUNZOF-FUXBKTLASA-N 467.020 6.081 50 10 JKGE CC(=NNC(=O)CSC1c2ccccc2-c2ccccc21)c1ccc(Br)cc1 1083944777 AEEQIZUJHZRHAH-UHFFFAOYSA-N 451.389 5.793 50 10 JKGE Cc1ccc(NC(=O)/C(C#N)=C\c2cc(Br)ccc2OCc2ccccc2Cl)cc1 1084170466 IFYQVEMDJFZEFH-UNOMPAQXSA-N 481.777 6.536 50 10 JKGE COc1cc(/C=C(\C#N)C(=O)N(C)C)c(Br)cc1OCc1cccc2ccccc12 1084536196 MLTXNBOXQUAXQK-YBFXNURJSA-N 465.347 5.185 50 10 JKGE COc1ccc2c(c1)C(=NNC(=O)c1cc(-c3ccccc3)nc3ccccc13)C(=O)N2CCC(C)C 1772719901 NARAKAUGMLGDOP-UHFFFAOYSA-N 492.579 5.437 50 10 JKGE Cc1c(C(=O)Nc2cc(Cl)ccc2Cl)oc2c1C(=NNC(=O)c1cccc(Cl)c1)CCC2 1772746232 SQFBZHNVSWDIMM-UHFFFAOYSA-N 490.774 6.271 50 10 JKGE Cc1c(Cl)cccc1NC(=O)[C@@H](C)Oc1cccnc1NC(=O)Nc1ccc(SC#N)cc1 1858837642 CXBKXJSQXNAFGY-OAHLLOKOSA-N 481.965 5.667 50 10 JKGE CC[C@@H](Oc1cccnc1NC(=O)Nc1ccc(SC#N)cc1)C(=O)OC1CCCCC1 1858856514 SJESCCNCOIBHPM-LJQANCHMSA-N 454.552 5.332 50 10 JKGE N#CSc1ccc(NC(=O)c2ccnc(NC(=O)CC(c3ccccc3)c3ccccc3)c2)cc1 1860506543 FMBLUBBCDHHMAT-UHFFFAOYSA-N 478.577 6.068 50 10 JKGE COc1cc([C@@H]2C(C#N)=C(N)Oc3c2c(C(F)(F)F)nn3CC(C)C)ccc1OCc1ccccc1 1865687055 IHZSCRXJXHSMBK-OAQYLSRUSA-N 498.505 5.364 50 10 JKGE CCCCCOc1ccc([C@@H]2C(C#N)=C(N)Oc3c2c(C)nn3-c2ccccc2)cc1OCC 1865691404 QYHKMPCOMOKUMM-RUZDIDTESA-N 458.562 5.367 50 10 JKGE Cc1ccc(Cn2nc(-c3ccccc3)c3c2OC(N)=C(C#N)[C@H]3c2cn(C)c3ccccc23)cc1 1865698891 FTFLBWYEQVJCEU-SANMLTNESA-N 471.564 5.617 50 10 JKGE Cc1nn(-c2ccccn2)c2c1[C@H](c1ccccc1OCc1ccc(Cl)cc1)C(C#N)=C(N)O2 1865701611 ZLCTVKQWKUBWSW-XMMPIXPASA-N 469.932 5.026 50 10 JKGE CCCn1nc(-c2ccccc2)c2c1OC(N)=C(C#N)[C@@H]2c1ccc(OCc2ccccc2Cl)cc1 1865703539 AQBBXKYWUOJVIV-VWLOTQADSA-N 496.998 6.411 50 10 JKGE COC(=O)c1ccc([C@@H]2C(C#N)=C(N)Oc3c2c(-c2ccccc2)nn3Cc2ccccc2Cl)cc1 1865708892 INXVDFNXBOPCLY-HSZRJFAPSA-N 496.954 5.257 50 10 JKGE CCCc1nn(Cc2ccccc2Cl)c2c1[C@@H](c1ccc(Br)cc1)C(C#N)=C(N)O2 1865714858 RSWBJVQZYBISJM-FQEVSTJZSA-N 483.797 5.518 50 10 JKGE CCOc1cc(/C=C(\C#N)c2nc(O)c3ccc(C(=O)OC)cc3n2)ccc1OCc1ccc(F)cc1 1872728885 YZFUVLXLHHYGDZ-UDWIEESQSA-N 499.498 5.303 50 10 JKGE C[C@H](/C(O)=C(\C#N)c1nc(-c2cccc3ccccc23)cs1)N1C(=O)c2ccccc2C1=O 1872752599 KQYSHQHLJISZDQ-GJGNJIHCSA-N 451.507 5.441 50 10 JKGE COc1ccc(-c2csc(/C(C#N)=C(O)/C=C/c3cc(OC)c(OC)c(OC)c3)n2)cc1F 1872752805 SSGGGRQHEXJSOZ-BCGFRQHJSA-N 468.506 5.490 50 10 JKGE Cl[C@H](c1c(Br)sc(Br)c1Br)[C@@H]1C[C@@H]1Br 1877359518 KVUDSHBILXDDCH-KMYHCQSRSA-N 488.264 6.099 50 10 JKGE ClCCCN(Cc1ccccc1)c1ncc(I)cc1Br 1882959190 WZSNXJFFPFRBHD-UHFFFAOYSA-N 465.560 5.084 50 10 JKGE C[C@H]([C@@H](Br)c1ccc(OCc2ccccc2)cc1Br)C(F)(F)F 1899880997 CTEHVXXVLYOECW-BDJLRTHQSA-N 452.108 6.663 50 10 JKGE CC[C@@H]1C[C@@H]1C[C@H](Br)c1c(Br)sc(Br)c1Cl 1902788189 HSPSJGQNLVCQPX-QYNIQEEDSA-N 451.449 6.799 50 10 JKGE C[C@H](Cl)c1nc2c(Br)cc(F)cc2n1[C@@H]1CCCN(Cc2ccccc2)C1 1912664001 KRFGZUJPSBNHPH-WMLDXEAASA-N 450.783 6.075 50 10 JKGE C[C@@H](Cl)c1nc2c(Br)cc(F)cc2n1[C@]1(C)CCN(Cc2ccccc2)C1 1912678065 PYJWTONHBUWKBX-SPLOXXLWSA-N 450.783 5.859 50 10 JKGE CC(C)[C@H](CCl)N(Cc1ccccc1)Cc1cc(Cl)ccc1I 1915257427 LVCZAGVYYINXNC-IBGZPJMESA-N 462.202 6.210 50 10 JKGE CCc1ccccc1[C@@H](Br)c1sc(Br)c(C)c1Br 1922946703 UOWWAGTXLOGDFY-GFCCVEGCSA-N 453.037 6.628 50 10 JKGE Brc1sc(Br)c([C@@H](Br)[C@@H]2CC23CC3)c1Br 1924612980 PMPBYSQJCJBVFC-NJGYIYPDSA-N 479.857 6.272 50 10 JKGE Clc1c(Br)sc(Br)c1[C@H](Br)C12CC(CO1)C2 1989832347 ISFANLWFBRZCHY-JGPKUNILSA-N 451.405 5.542 50 10 JKGE FC1(F)C[C@]12C[C@@H]2[C@@H](Br)c1c(Br)sc(Br)c1Cl 2004506149 GADDLYLVGRCRFD-QZCCETNPSA-N 471.386 6.408 50 10 JKGE Clc1ccccc1[C@@H](CI)OCCOCCOCc1ccccc1 2007814592 UCVJGUHLJNPFHP-LJQANCHMSA-N 460.739 5.066 50 10 JKGE Cc1cc(Br)c(CBr)c(N2CCC[C@@H](OCc3ccccc3)C2)c1 2013491385 UHLSTBOFJDJDBH-QGZVFWFLSA-N 453.218 5.838 50 10 JKGE FC(F)(F)c1sccc1[C@@H](Br)c1sc(Br)cc1Br 2039888880 SLBPVTHRDCBBAO-SSDOTTSWSA-N 484.982 6.838 50 10 JKGE Cc1sc(C)c(C[C@@H](Br)c2ccccc2Br)c1Br 2050529690 GODLYUWAZYKWCR-CYBMUJFWSA-N 453.037 6.569 50 10 JKGE Clc1cc(C[C@H](Br)c2ccccc2Br)ccc1Br 2050536651 XCNFVTFPXVLPLJ-ZDUSSCGKSA-N 453.399 6.544 50 10 JKGE CC1(C)[C@H](Br)CCCN1C(=O)c1scc(Br)c1Br 2076218160 UHGKBGBKZIIXET-MRVPVSSYSA-N 460.029 5.051 50 10 JKGE Cc1cccc([C@H](Br)c2ccc(Br)cc2Br)c1Cl 2083337015 GRTWHBDKYHYEII-CYBMUJFWSA-N 453.399 6.658 50 10 JKGE Fc1ccc([C@@H](Br)c2ccc(Br)cc2Br)cc1Cl 2083341208 YEDUXZFPVCSTAS-CYBMUJFWSA-N 457.362 6.488 50 10 JKGE Cc1cc(Br)c([C@@H](Br)c2nn(C)c(Cl)c2Cl)cc1Br 2094338710 HXXNUVSAOWXGMB-SECBINFHSA-N 491.836 6.045 50 10 JKGE Brc1csc([C@@H](Br)c2cc(Br)c3c(c2)CCCO3)c1 2115940474 PEBGDNIKHLTIEZ-ZDUSSCGKSA-N 467.020 6.082 50 10 JKGE COc1cc(Br)c([C@H](Br)c2cc(Br)sn2)cc1OC 2120042516 YDOCMCYMUNNZEN-LBPRGKRZSA-N 471.996 5.170 50 10 JKGE COc1ccc([C@H](C)NCCSSCCNC(=O)OC(C)(C)C)cc1Br 2125291216 APTCVNBFTQOGSV-ZDUSSCGKSA-N 465.479 5.014 50 10 JKGE Cl[C@H](c1c(Br)sc(Br)c1Br)[C@@H]1C[C@@H]1C1CCOCC1 2135276194 HEDPMKYLXUVIQZ-XLDPMVHQSA-N 493.486 6.378 50 10 JKGE Cc1cc(Br)c(C)c([C@@H](Br)CC[C@@H]2CC2(C)C)c1Br 2136369443 JTGYTLAWIKHQKD-NEPJUHHUSA-N 453.056 7.091 50 10 JKGE COc1c(Cl)cc(Br)cc1[C@@H](Cl)c1ccc(I)cc1 2138254885 XEXWRWGBPGVIRZ-ZDUSSCGKSA-N 471.947 6.044 50 10 JKGE Cc1cc(Br)c([C@@H](Br)c2ccsc2C(F)(F)F)cc1Br 2157643186 AISAAHNEVUWNFT-NSHDSACASA-N 492.980 7.085 50 10 JKGE Cc1c(Cl)cc(COc2ccc(CBr)cc2Br)cc1Br 2167396928 UPZBXMOTCLVMDM-UHFFFAOYSA-N 483.425 6.647 50 10 JKGE C[C@](CI)(O[C@H]1CCCCC1(F)F)c1ccccc1Br 2197046870 OJTYXOJTYGMAMM-UONOGXRCSA-N 459.112 5.694 50 10 JKGE Cc1cc(Br)c(C)c([C@@H](Br)CC[C@H]2CCCCO2)c1Br 2201072166 UGWLDSCSHAEFMM-OLZOCXBDSA-N 469.055 6.614 50 10 JKGE CCC[C@@H]1CN(C(=O)c2ccc(Br)cc2Br)C[C@@H]1CBr 2205702959 LLHKBGQGCDHAFZ-MNOVXSKESA-N 468.027 5.095 50 10 JKGE Cc1cc(Br)cc(CBr)c1OC[C@@H]1CC1(Br)Br 2213083642 LIKWKAYMRROVHF-VIFPVBQESA-N 491.843 5.537 50 10 JKGE CCC1CCC(O[C@@]2(CI)CCCN(C(=O)OC(C)(C)C)C2)CC1 2217226967 XYTPHBOHVZNZOO-LADRWXRNSA-N 451.389 5.177 50 10 JKGE COc1cc(C)ccc1[C@H](Br)c1sc(Br)cc1Br 2218604546 XBXXJQINTZODBS-LBPRGKRZSA-N 455.009 6.074 50 10 JKGE CO[C@@H]1CC[C@@H]([C@@H](Br)c2c(Br)cc(Cl)c(Cl)c2Cl)C1 2224304635 LGZFCOZXTFMJCW-OPVBNTEQSA-N 451.413 6.660 50 10 JKGE Fc1cc(Br)c(Br)cc1[C@H](Br)C1(CC(F)F)CCC1 2225616011 BZTQGIGVHZGSPD-LBPRGKRZSA-N 464.945 6.612 50 10 JKGE C[C@H](Cl)c1nc2cc(Br)c(Br)cc2n1C[C@@H]1CCN1Cc1ccccc1 2225694091 QDZYKZFCDRLVMA-ZFWWWQNUSA-N 497.662 6.136 50 10 JKGE Cc1cc(Br)c([C@H](Br)[C@@H]2[C@@H]3CCCO[C@H]32)c(C)c1Br 2227350358 HIWVBZVDQVTFRI-MOUXYMJCSA-N 453.012 5.689 50 10 JKGE CO[C@@H]1CC[C@H]1C[C@H](Br)c1c(Br)cc(C)c(Br)c1C 2227355272 MMSPWPIMGPLAIX-WCFLWFBJSA-N 455.028 6.080 50 10 JKGE Cc1nn(C)c([C@H](Br)Cc2ccc(Br)cc2Cl)c1Br 2229154192 VYMCSZZNNVEAGI-SNVBAGLBSA-N 471.418 5.586 50 10 JKGE COc1ccc([C@H](Br)c2c(Cl)sc(Cl)c2Cl)c(Br)c1 2232076997 OLPXUQMIHYKWQA-VIFPVBQESA-N 465.421 6.964 50 10 JKGE C[C@@]12CC[C@@]([C@@H](Br)c3c(Br)cc(Cl)c(Cl)c3Cl)(CO1)C2 2232515094 YRGWZVSDHHHCOT-IHRRRGAJSA-N 463.424 6.805 50 10 JKGE Cc1cc(Br)c([C@H](Br)C2[C@@H]3[C@H]4CC[C@@H](C4)[C@@H]23)c(C)c1Br 2235602077 CESKDGQKXPFGFO-KVDBXCQRSA-N 463.051 6.557 50 10 JKGE Cc1cc(Br)c([C@H](Br)[C@]2(C)C[C@@H]2C(F)(F)F)c(C)c1Br 2235604799 HPXVOFMJUXAOBZ-TVYUQYBPSA-N 478.972 6.853 50 10 JKGE ClCc1ccc(Br)cc1Oc1cc(I)ccc1Cl 2259930987 ZGWXNJNNDPTOAA-UHFFFAOYSA-N 457.920 6.238 50 10 JKGE COc1cc(Br)c([C@H](Br)c2scc(Br)c2Cl)cc1C 2264609113 HYRLIVCICJEEET-NSHDSACASA-N 489.454 6.728 50 10 JKGE C[C@@H](Br)CN(Cc1ccc(I)c(Cl)c1)CC(C)(C)C 2272519904 IHZVVGDRCBRPSS-LLVKDONJSA-N 458.609 5.576 50 10 JKGE Fc1cc(Br)c(F)c(Br)c1[C@@H](Br)[C@H]1CCC12CCC2 2272723517 GILYCOQSABBAMF-HQJQHLMTSA-N 458.966 6.506 50 10 JKGE Brc1cc(Br)cc(C[C@@H](Br)C23CCC(CC2)CC3)c1 2277962484 IDHHJOIUSFLDJI-YWCUFVOSSA-N 451.040 6.488 50 10 JKGE COc1cc(OC)c([C@@H](Cl)c2csc(Br)c2Br)cc1Cl 2279137949 VAFJPVZOFMNZIO-GFCCVEGCSA-N 461.002 6.272 50 10 JKGE CC(C)(C)OC(=O)N1CCC[C@](CI)(OC2(C)C3CC4CC(C3)CC2C4)C1 2287252700 JSLPIZSSMXGWCA-MUGLLQPFSA-N 489.438 5.423 50 10 JKGE C[C@]1(C(F)(F)F)C[C@H]1[C@H](Br)c1c(F)cc(Br)c(F)c1Br 2288353907 LANBTFIZUPKKFE-FCBCCEKLSA-N 486.898 6.514 50 10 JKGE O=C(c1scc(Br)c1Br)N1CCC(CBr)(C(F)F)CC1 2289939817 AFSXXCXSGWTABO-UHFFFAOYSA-N 496.009 5.156 50 10 JKGE Cc1cc(-n2c(C)cc(C=C(C#N)C(=O)Nc3ccccc3)c2C)ccc1I 2294193521 XFPONKFVLGPKOG-UHFFFAOYSA-N 481.337 5.553 50 10 JKGE N#CC(C(=O)Nc1ccccc1)=C1S[C@@H](Cc2ccc(Cl)c(Cl)c2)C(=O)N1c1ccccc1 2296507083 SPHJCYJRVLPWDH-QFIPXVFZSA-N 494.403 6.058 50 10 JKGE Cc1ccc(C[C@@H]2SC(=C(C#N)C(=O)NCc3ccccc3)N(c3ccc(C)cc3)C2=O)cc1 2296834919 AMPNWXBBLXGXLE-VWLOTQADSA-N 467.594 5.046 50 10 JKGE CCCOC1([C@H](Br)c2ccc(OCc3ccccc3)cc2Br)CC1 2299489890 UCKJXDOTBTUWTL-LJQANCHMSA-N 454.202 6.423 50 10 JKGE Brc1cc(OCc2ccccc2)ccc1[C@H](Br)[C@H]1C[C@H]1C1CCC1 2299491043 BIIVAQMEUOWKMY-ZJOUEHCJSA-N 450.214 6.900 50 10 JKGE Brc1ccc(OCc2ccccc2)c([C@H](Br)[C@@H]2C[C@H]3C[C@@H]3CO2)c1 2299505087 SWFVQCDSLJXWFQ-IPZZXCBHSA-N 452.186 5.889 50 10 JKGE Clc1ccc(CC(CBr)(CBr)C2CC2)cc1I 2300268054 RWLPPACCSXSAKP-UHFFFAOYSA-N 492.420 5.673 50 10 JKGE Cc1sc(Br)c([C@@H](Br)c2csc(C)c2Br)c1C 2303645842 ICNGPRDWHWTYJJ-NSHDSACASA-N 459.066 6.744 50 10 JKGE Cc1cc(C=C(C#N)C(=O)Nc2cccc(Br)c2)c(C)n1-c1ccc(C(=O)O)c(Cl)c1 2313565067 PJYRWLHUATYAEY-UHFFFAOYSA-N 498.764 5.754 50 10 JKGE CCOC(=O)C(C#N)=Cc1cn(-c2ccccc2)nc1-c1ccc(OCc2ccccc2Cl)cc1 2314415081 WTPBIKPKCQFPEE-UHFFFAOYSA-N 483.955 6.242 50 10 JKGE O=S1(=O)CCC[C@@H]([C@H](Br)c2ccc(OCc3ccccc3)cc2Br)C1 2314456718 ZDIHPSLXIUICHD-BEFAXECRSA-N 488.241 5.289 50 10 JKGE COc1ccccc1C=C(C#N)C(=O)Oc1ccc(C=C(C#N)c2ccc(Cl)cc2)cc1OC 2314734617 DPGRZZPJXGSIPS-UHFFFAOYSA-N 470.912 5.934 50 10 JKGE Cc1cc(Br)c(F)c(Br)c1[C@@H](Br)c1ccsc1C 2317422473 JHQCSFGEUBTSQU-NSHDSACASA-N 457.000 6.513 50 10 JKGE Cc1ccc2nc(-c3ccc(NC=C(C#N)C(=O)Nc4cccc(C(F)(F)F)c4)cc3)sc2c1 2324412765 ZWCCVEVANRBPTG-UHFFFAOYSA-N 478.499 6.749 50 10 JKGE N#CC(=CNc1cccc(Cl)c1Cl)C(=O)N1CCN(C(c2ccccc2)c2ccccc2)CC1 2324598940 LZAALAJBIQXMQW-UHFFFAOYSA-N 491.422 5.747 50 10 JKGE C[C@H](c1ccccc1)N1C[C@H](C(O)=C(C#N)c2nc(-c3cccc4ccccc34)cs2)CC1=O 2331339318 XZSCXKQZKDSDLG-WIYYLYMNSA-N 465.578 6.366 50 10 JKGE COc1cc(-c2csc(C(C#N)=C(O)c3ccc4nc(C)c(C)nc4c3)n2)c(OC)cc1Cl 2331377240 ASNIELGVVSGUGB-UHFFFAOYSA-N 478.961 5.991 50 10 JKGE COc1ccc(-c2csc(C(C#N)=C(O)Cc3ccc(OC(C)C)cc3)n2)c(OC)c1OC 2331411926 REHWGBWDYRDREB-UHFFFAOYSA-N 466.559 5.658 50 10 JKGE COc1cc(C=C(C#N)c2nc(-c3ccc4ccccc4c3)cs2)ccc1OC(=O)c1ccccc1 2331416828 NVGGBWDTXHBKGV-UHFFFAOYSA-N 488.568 7.255 50 10 JKGE COc1ccc(-c2csc(C(C#N)=Cc3ccccc3OCc3ccccc3Cl)n2)cc1 2331431399 BBVQWPRNNHCBBR-UHFFFAOYSA-N 458.970 7.115 50 10 JKGE Fc1c(Br)cc(Cl)c([C@@H](Br)C[C@H]2C[C@H]3C[C@H]3C2)c1Br 2337095081 WQXQESJBEASKGZ-MAUMQABQSA-N 475.421 6.876 50 10 JKGE Fc1ccc([C@H](Br)CCc2ccc(Cl)cc2I)cc1 2341033511 XGTSFLMTXHIFCD-CQSZACIVSA-N 453.520 6.153 50 10 JKGE Fc1cccc([C@@H](CBr)Cc2ccc(Cl)cc2I)c1 2341048520 JTIHBWXNHJOLNM-GFCCVEGCSA-N 453.520 5.805 50 10 JKGE BrC[C@@H]1C[C@@H]2CCC[C@@H]2N1Cc1ccc(I)c(Br)c1 2349839427 HMLWYWGXTNZGNM-HUBLWGQQSA-N 499.028 5.192 50 10 JKGE BrC[C@@H]1C[C@H]2CCC[C@@H]2N1Cc1ccc(I)c(Br)c1 2349839430 HMLWYWGXTNZGNM-XUJVJEKNSA-N 499.028 5.192 50 10 JKGE Clc1ccc(I)cc1CO[C@H]1CCCCCC[C@@H]1Br 2352248877 NVEFRLROGCHDDT-ZFWWWQNUSA-N 457.577 5.948 50 10 JKGE Fc1c(Br)cc(Cl)c([C@@H](Cl)[C@@H]2CC[C@H]2C(F)(F)F)c1Br 2362225259 SHXYNWLMKOFGMV-INWPNSDISA-N 458.902 6.873 50 10 JKGE BrCC(CBr)(CC1CCCCCC1)c1ccc(Br)cc1 2364426051 FGVUOZHJIDMFNE-UHFFFAOYSA-N 467.083 6.837 50 10 JKGE Cc1cc(Br)c(F)c(Br)c1[C@H](Br)C[C@@H]1COC(C)(C)C1 2365191403 NUMDQSXWKFEPTO-VHSXEESVSA-N 473.018 6.300 50 10 JKGE COc1c(Br)cc(C)c([C@H](Br)[C@@H]2CCC[C@H](C)O2)c1Br 2365196540 NFMOKQKZHRNSEW-XHVZSJERSA-N 471.027 5.922 50 10 JKGE COc1c(C)cc(Br)cc1[C@H](Cl)c1ccc(Cl)cc1I 2365598016 MTJBTUAMAXXTGJ-CQSZACIVSA-N 485.974 6.352 50 10 JKGE Fc1cc([C@H](Br)c2cc(Br)c(Cl)cc2F)c(Cl)cc1Cl 2379740557 ZCWCVNVQPFGEOJ-ZDUSSCGKSA-N 465.346 7.172 50 10 JKGE COc1cc([C@H]2C(C#N)=C(N)OC3=C2C(=O)C[C@@H](c2ccccc2)C3)ccc1OCc1ccccc1 1010027 QQNMHTHRXCYVLC-DFHRPNOPSA-N 478.548 5.483 50 10 JKGE Cc1ccc([C@H](C(=O)NC2CCCCC2)N(C(=O)CCl)[C@@H]2CCCc3ccccc32)cc1 3036104 BNQJRISAGVIZCC-AOYPEHQESA-N 453.026 5.630 50 10 JKGE O=C(NN=C(/C=C/c1ccccc1)/C=C/c1ccccc1)c1ccc(NC(=O)c2ccccc2)cc1 13982147 FQEVVHKGXVEHPV-NWILIBCHSA-N 471.560 6.452 50 10 JKGE O=C(NNC(=O)c1sc2ccccc2c1Cl)c1ccc(OCCOc2ccccc2)cc1 14039477 JBBQMFYJVGMFRN-UHFFFAOYSA-N 466.946 5.087 50 10 JKGE C=CCn1c(CNc2ccc(Cl)cc2)nnc1SCC(=O)N/N=C/c1cccc2ccccc12 20805533 SMNZGJBMLMGKLV-RWPZCVJISA-N 491.020 5.125 50 10 JKGE N#C/C(=C/c1ccc(OC(=O)c2cc(C(F)(F)F)cc(C(F)(F)F)c2)cc1)c1ccccc1F 31901657 NJFZZKLGZPWENJ-SXGWCWSVSA-N 479.351 7.147 50 10 JKGE Cc1ccc(OCC(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@@H]3c2ccc(C(C)(C)C)cc2)cc1C 38649827 SKTVTGMMAHQZIU-MUUNZHRXSA-N 482.580 5.804 50 10 JKGE N#CC1=C(N)Oc2cc(OC(=O)c3cccs3)ccc2[C@@H]1c1cccc(OCc2ccccc2F)c1 38686806 CKSZGKKPBCZWPB-SANMLTNESA-N 498.535 5.904 50 10 JKGE Cc1c(C(=O)N2CCCc3ccccc32)oc2c1/C(=N/NC(=O)c1ccc3ccccc3n1)CCC2 40825866 RTNMYLCMDVZMNP-DFKUXCBWSA-N 478.552 5.200 50 10 JKGE CCCOc1ccc(/C=C(\C#N)C(=O)Nc2cc(OC)c(NC(=O)c3ccccc3)cc2OC)cc1 40882668 KAPCYSQLWPHQJY-RCCKNPSSSA-N 485.540 5.291 50 10 JKGE CCCCOc1ccc(/C=N/NC(=O)CSc2nc(-c3ccc(Cl)cc3)cs2)cc1OC 40924767 SQAVDBHGZRKLFB-DHRITJCHSA-N 490.050 5.893 50 10 JKGE CCCOc1ccccc1/C=C(\C#N)C(=O)Nc1nc(-c2ccc(Cl)cc2Cl)cs1 40948987 RSLHSFMMQKPHNN-XNTDXEJSSA-N 458.370 6.451 50 10 JKGE CCOc1ccc([C@H](O)CCC(=O)N/N=C\c2cn(Cc3ccc(F)cc3)c3ccccc23)cc1 58893485 APJNSVATBYRCSE-XAEFBWORSA-N 473.548 5.191 50 10 JKGE COc1cc(/C=C(/C#N)C(=O)Nc2cc(C)ccc2C)ccc1OCc1cccc2ccccc12 96488872 RZLHNMNEQWCLDO-XYGWBWBKSA-N 462.549 6.590 50 10 JKGE COc1cc(/C=C(\C#N)C(=O)NC(C)C)c(Br)cc1OCc1cccc2ccccc12 97636027 CEAVKVOYHKUITL-RGVLZGJSSA-N 479.374 5.621 50 10 JKGE C=CCOc1ccccc1/C=N/NC(=O)c1ccc(NC(=O)c2ccc(C(C)(C)C)cc2)cc1 100437333 NOCJSSVKDFIBAG-VUTHCHCSSA-N 455.558 5.565 50 10 JKGE COc1ccc(CCN2C(=O)C(C#N)=C(C)/C(=C\c3ccc(-c4ccccc4Cl)o3)C2=O)cc1 101340278 OIXSMZHSKZIZCP-PXLXIMEGSA-N 472.928 5.444 50 10 JKGE COc1cccc(-c2csc(/C(C#N)=C\Nc3ccccc3OC(F)(F)[C@@H](F)Cl)n2)c1 102420550 DEEZYFLQQYEFEK-ACQXMXPUSA-N 465.884 6.301 50 10 JKGE CCOc1cc(Br)c([C@H](Cl)c2sccc2Br)cc1OCC 111535945 TXLVPBKOUJVGIN-AWEZNQCLSA-N 454.611 6.399 50 10 JKGE COc1cc(/C=C(/C#N)C(=O)Nc2cccc(C(F)(F)F)c2)ccc1OCc1cccc(F)c1 207151113 HHWHJMDFXDEBBK-ZDLGFXPLSA-N 470.422 5.978 50 10 JKGE CCOC(=O)c1c(NC(=O)/C(C#N)=C\c2ccc(OC)c(OCC)c2)sc2c1CC[C@H](C)C2 209405363 OORNCANPEOSZEY-ZKMNFCBKSA-N 468.575 5.003 50 10 JKGE Clc1sc([C@H](Br)c2ccc3cc(Br)ccc3c2)cc1Br 227848529 MVEPLZYQWKXCFP-CQSZACIVSA-N 495.461 7.564 50 10 JKGE Fc1cc(F)c([C@@H](Br)c2ccc(I)c(Cl)c2)c(F)c1 232342889 ZEZOXDNUSQCDSI-ZDUSSCGKSA-N 461.446 5.846 50 10 JKGE CC[C@H](C)c1ccc(OCCOc2cccc(C=NNC(=O)CSc3nnc(C)s3)c2)cc1 254705918 JGAMMCDALPTGOR-KRWDZBQOSA-N 484.647 5.060 50 10 JKGE CCCOc1ccc(C(C)=NNC(=O)c2cc(-c3ccc(CC)cc3)nc3c(Cl)cccc23)cc1 254760598 XHAPVGUMXUQARF-UHFFFAOYSA-N 486.015 7.060 50 10 JKGE Cc1ccc(-n2c(-c3ccccc3)cc(C=NNC(=O)c3ccncc3)c2-c2ccccc2)cc1 254761084 HZNUVADAOAUZMJ-UHFFFAOYSA-N 456.549 6.279 50 10 JKGE CCCOc1ccc(C(=O)NN=Cc2ccc(OC(=O)c3ccc(OCCC)cc3)cc2)cc1 254871751 ISHLEGYLQYAHCS-UHFFFAOYSA-N 460.530 5.247 50 10 JKGE C[C@H](Cl)c1nc2cc(I)c(F)cc2n1[C@H]1CCN(Cc2ccccc2)[C@H]1C 312566485 YWPMLCTYZPBBMK-NJSLBKSFSA-N 497.783 5.915 50 10 JKGE COc1c(C)cc(Br)c(C)c1[C@H](Br)c1ccccc1OCc1ccccc1 312615756 GGZDURJSUAXAGN-JOCHJYFZSA-N 490.235 7.138 50 10 JKGE Fc1cccc([C@@H](Br)c2scc(C(F)(F)F)c2Br)c1Cl 380131657 NKDFGSXEJCKCPF-MRVPVSSYSA-N 452.492 6.806 50 10 JKGE Cc1cc(Br)c([C@H](Br)C(C2CCC2)C2CCC2)cc1Br 380272913 YJOAQOYGZFVKBK-KRWDZBQOSA-N 465.067 7.172 50 10 JKGE Fc1ccc([C@H](Br)c2ccc(OCc3ccccc3)cc2)cc1Br 384047103 NUSYCHKXDVWEQR-HXUWFJFHSA-N 450.145 6.652 50 10 JKGE C[C@H](COCc1ccccc1)Cn1c(CCCl)nc2cc(I)c(F)cc21 390402501 WRGUGYCCQXKBBB-AWEZNQCLSA-N 486.756 5.414 50 10 JKGE CCCOc1cccc2c1nc(CCCl)n2CCCN(Cc1ccccc1)Cc1ccccc1 390522239 GYBNUBZTTGZOBC-UHFFFAOYSA-N 476.064 6.699 50 10 JKGE C[C@]1(n2c(CCl)nc3cc(I)c(F)cc32)CCN(Cc2ccccc2)C1 405968683 QDJYHNINVSSGOI-FQEVSTJZSA-N 483.756 5.140 50 10 JKGE ClCc1nc2cccc(Br)c2n1-c1ccc(I)cc1Cl 697738506 YSYBUVQQHJIBKI-UHFFFAOYSA-N 481.946 5.785 50 10 JKGE CN(Cc1ccccc1)C(C)(C)Cn1c(CCCl)nc2cc(F)c(Br)cc21 714233869 WDDBKPTZZBQKCR-UHFFFAOYSA-N 452.799 5.630 50 10 JKGE BrCc1ccc(N2CC[C@H]3[C@@H](CCCN3Cc3ccccc3)C2)c(Br)c1 715014978 MLNHZIFCWXENKI-FPOVZHCZSA-N 478.272 5.835 50 10 JKGE Cc1ccc(-n2c(C)c(Br)c(C=NNC(=O)COc3ccccc3C)c2C)cc1 1083986801 NDTIGHHDTYWCDM-UHFFFAOYSA-N 454.368 5.003 50 10 JKGE N#C/C(=C\c1cccc(OCc2ccc(Br)cc2)c1)C(=O)Nc1ccc(F)cc1 1084125125 DPLDCOYAUBPNGX-LDADJPATSA-N 451.295 5.713 50 10 JKGE N#C/C(=C\c1ccc(-c2ccc(C34CC5CC(CC(C5)C3)C4)cc2[N+](=O)[O-])o1)C(=O)Nc1ccccc1 1084148327 GGAOWCOEQCKKCP-LPYMAVHISA-N 493.563 6.868 50 10 JKGE Cc1cc(C=NNC(=O)c2ccc(CSCc3ccccc3)cc2)c(C)n1-c1ccc(Cl)cc1 1084371160 GURPOVROMBKBII-UHFFFAOYSA-N 488.056 6.945 50 10 JKGE C=CCOc1ccc(/C=C(\C#N)C(=O)Nc2cccc(Cl)c2Cl)cc1I 1084379185 DDWASGYIBQMAEP-UKTHLTGXSA-N 499.135 5.708 50 10 JKGE O=C(CC[C@@H](O)c1ccccc1)NN=Cc1cc(Cl)c(OCc2ccc(F)cc2)c(Cl)c1 1084470157 LZQZSBXWTQSGGJ-JOCHJYFZSA-N 475.347 5.675 50 10 JKGE Cc1cccc(C(=O)NN=C2CCCc3oc(C(=O)N4c5ccc(F)cc5CC[C@@H]4C)c(C)c32)c1 1772745087 RTBVRJOUSGUNAK-KRWDZBQOSA-N 473.548 5.487 50 10 JKGE COc1cc(/C=N\NC(=O)c2ccc(-c3ccc4ccccc4c3)s2)cc(Br)c1O 1860773792 FGOPSDRLUVSWOF-MXAYSNPKSA-N 481.371 5.809 50 10 JKGE CCCn1nc(C)c2c1OC(N)=C(C#N)[C@H]2c1ccc(OCc2c(Cl)cccc2Cl)c(OC)c1 1865689966 XXADDKJFHUCSDV-HSZRJFAPSA-N 499.398 5.714 50 10 JKGE COc1ccc(OC)c([C@H]2C(C#N)=C(N)Oc3c2c(C(F)(F)F)nn3-c2cccc3ccccc23)c1 1865691974 GPHHLFHACXWWDM-NRFANRHFSA-N 492.457 5.280 50 10 JKGE CC(C)Oc1ccccc1[C@H]1C(C#N)=C(N)Oc2c1c(-c1ccccc1)nn2Cc1ccccc1Cl 1865705531 YLZMFRWCFIVROP-VWLOTQADSA-N 496.998 6.257 50 10 JKGE CCCc1nn(Cc2ccccc2F)c2c1[C@@H](c1ccc(C(F)(F)F)cc1)C(C#N)=C(N)O2 1865710518 ALJFZMQAYFIXMI-FQEVSTJZSA-N 456.443 5.260 50 10 JKGE COc1ccc(-c2nn(-c3ccccc3Cl)c3c2[C@H](c2cccc(OC)c2)C(C#N)=C(N)O3)cc1 1865711760 HPDJEIHVQMVEOW-HSZRJFAPSA-N 484.943 5.428 50 10 JKGE CCCc1nn(-c2cccc(Cl)c2)c2c1[C@H](c1ccc(Br)cc1)C(C#N)=C(N)O2 1865714711 OAYAIZBBJZPYSN-LJQANCHMSA-N 469.770 5.459 50 10 JKGE COc1cccc(-c2nc(Nc3ccc(SC#N)cc3)cc(N3CCO[C@H](c4ccccc4)C3)n2)c1 1868505786 KMPNAFRSLOJKOE-VWLOTQADSA-N 495.608 6.047 50 10 JKGE Cc1ccc(C(C)(C)C)cc1-c1csc(/C(C#N)=C(\O)[C@H](C)Oc2ccccc2C(C)C)n1 1872755866 KEJWSRDXAXGPLY-HGFVNXKRSA-N 460.643 7.800 50 10 JKGE CCCCCOc1ccc(/C=C(\C#N)c2nc(-c3cc(OC)ccc3OC)cs2)cc1OC 1872791758 RTALBJQNYYYADA-CPNJWEJPSA-N 464.587 6.469 50 10 JKGE COc1ccc(/C=C(C(/O)=C(\C#N)c2nc(-c3ccc4ccccc4c3)cs2)\c2ccccc2)cc1 1873941023 SHTODTHXNBCSMC-OSJPICRCSA-N 486.596 8.005 50 10 JKGE CCC[C@H]1CC[C@H]([C@@H](Br)c2cc(Br)ccc2Br)CC1 1878056596 AIJDJEMAXLSQBC-XHBSWPGZSA-N 453.056 7.254 50 10 JKGE FC(F)C[C@H](Br)c1c(Br)sc(Br)c1Br 1897205578 NQIUMRNLEFHWMJ-REOHCLBHSA-N 477.788 6.127 50 10 JKGE O=C(N[C@@H](CCCl)COCc1ccccc1)c1csc(Br)c1Br 1902913029 SLMYKEYWSHGHBS-LBPRGKRZSA-N 481.637 5.217 50 10 JKGE CC(C)(C)[C@@H](CBr)Cc1ccc(I)c(Br)c1 1904346230 OVJVGUOTUCTCIB-SNVBAGLBSA-N 459.991 5.653 50 10 JKGE CC[C@H](Br)CN(Cc1ccccc1)C(=O)c1ccc(Br)cc1C(F)(F)F 1915099818 XZTAIIOEHNEOIL-AWEZNQCLSA-N 493.161 6.284 50 10 JKGE O=S(=O)(c1ccc(Cl)c(F)c1Cl)N(Cc1ccccc1)C1(CBr)CCC1 1915755820 RSFFXWXMLYTTKO-UHFFFAOYSA-N 481.214 5.641 50 10 JKGE Cc1c(Br)sc([C@H](Cl)c2cc(Br)ccc2F)c1Br 1922945481 GYIZISLUVOMSCI-SNVBAGLBSA-N 477.418 6.811 50 10 JKGE Cl[C@@H](Cc1ccncc1Br)c1ccc(Br)cc1Br 1924046544 BIYTVCYQVZENES-ZDUSSCGKSA-N 454.387 5.892 50 10 JKGE FC1(F)[C@H]([C@H](Cl)c2c(Br)sc(Br)c2Br)C12CC2 1924571382 QULLNHAJZCWNGA-PHDIDXHHSA-N 471.386 6.361 50 10 JKGE Cc1cc([C@H](Br)c2csc(Br)c2Br)sc1Cl 1937734296 GNZMMEPSHWKZDM-SSDOTTSWSA-N 465.457 6.781 50 10 JKGE Brc1cccc(Br)c1[C@@H]1CCC[C@@H](CI)O1 1938361591 JIVIEZSVEQCDGE-KWQFWETISA-N 459.947 5.257 50 10 JKGE Brc1scc([C@H](Br)c2ccc3c(c2)CCO3)c1Br 2032958849 NJKUCLKANJYUKS-LLVKDONJSA-N 452.993 5.692 50 10 JKGE Brc1cc(Br)c([C@H](Br)[C@@H]2CCn3ccnc3C2)s1 2046627623 PVUCAKPTPKHTKV-RDDDGLTNSA-N 455.013 5.168 50 10 JKGE COCCOCCN(Cc1ccccc1)c1cc(Br)cc(F)c1CBr 2051132294 XYXXHQXHVMNNGX-UHFFFAOYSA-N 475.196 5.153 50 10 JKGE Cc1cc(Br)c(C)c([C@H](Br)c2ccsc2Cl)c1Br 2081064507 XOVXCQCFPNTWOJ-GFCCVEGCSA-N 473.455 7.028 50 10 JKGE Cc1sc(Br)c([C@H](Br)c2ccc(Cl)c(Br)c2)c1C 2082886409 WRUGQPQWJCJXQH-GFCCVEGCSA-N 473.455 7.028 50 10 JKGE Fc1cc([C@H](Br)c2cc(Br)c(Cl)cc2F)ccc1Br 2097834010 HTYWRTYMAKBTGN-ZDUSSCGKSA-N 475.352 6.628 50 10 JKGE COCc1cc(Br)c([C@@H](Cl)c2cc(I)ccc2F)s1 2113352196 YIQKYCYXXWBMIA-LBPRGKRZSA-N 475.548 5.729 50 10 JKGE Fc1ccc([C@H](Br)CCc2cc(Br)ccc2Br)cc1 2118532644 RHEQYWFHGQPFCU-CQSZACIVSA-N 450.971 6.420 50 10 JKGE BrCc1cc(Br)cc(Br)c1OC[C@H]1C2C[C@@H]3C1[C@@H]3C2 2134436988 KCAAXUHHDPVWOD-CZSJWAAXSA-N 450.996 5.387 50 10 JKGE Cc1cc(Cl)c(Br)cc1[C@H](Cl)c1cc(I)ccc1F 2137645538 MGPBYITYIOEDAV-AWEZNQCLSA-N 473.938 6.483 50 10 JKGE Cc1c(Br)ccc([C@@H](Br)[C@H](CC(C)C)C(C)C)c1Br 2138860763 FPJDBERJHLUWPO-CZUORRHYSA-N 455.072 7.274 50 10 JKGE FC(F)(C1CCCCC1)[C@@H](Br)c1ccc(Br)cc1Br 2138872495 SIBDZAQSHYRXIL-ZDUSSCGKSA-N 460.982 6.863 50 10 JKGE CCC[C@@H]1CN(C(=O)c2csc(Br)c2Br)C[C@H]1CBr 2140764724 HYEAJFRQDCBRSD-RKDXNWHRSA-N 474.056 5.156 50 10 JKGE COc1cc(Br)c(C)cc1[C@@H](Br)c1cccc(C)c1Br 2145962148 LIYHISFXGHERAX-INIZCTEOSA-N 463.007 6.321 50 10 JKGE Oc1nc2ccc([C@H](Br)c3cccc(Br)c3Br)cc2[nH]1 2148751675 QTKKDJCUDBYXNY-LBPRGKRZSA-N 460.951 5.278 50 10 JKGE Cc1ccc2ccccc2c1[C@@H](Br)c1csc(Br)c1Br 2150341848 LVPHFHINYYVMOL-AWEZNQCLSA-N 475.043 7.219 50 10 JKGE CN(C[C@H](Br)C1CCCCC1)C(=O)c1scc(Br)c1Br 2167643332 NGDSTRXYBCSMRU-JTQLQIEISA-N 488.083 5.689 50 10 JKGE ClCCc1nc2cc(Cl)c(Br)cc2n1[C@H]1CCCN(Cc2ccccc2)C1 2169014712 BKRHKLPEPJIBIX-INIZCTEOSA-N 467.238 6.071 50 10 JKGE Clc1cccc(Br)c1[C@H](Br)c1cc2c(cc1Br)OCC2 2169467642 QALMNQLKVULECG-OAHLLOKOSA-N 481.409 6.284 50 10 JKGE Fc1cc(Br)cc(N2[C@H]3CCC[C@H]2CN(Cc2ccccc2)CC3)c1CBr 2170694770 YCPPQNSJHBEFAJ-OALUTQOASA-N 496.262 6.117 50 10 JKGE CC(C)(C)OC(=O)NC1CC(C[S@](C)(=O)=NCC2(CBr)CCCCCC2)C1 2172246503 HYSWIVSLPOTJIP-ZVIMNXSKSA-N 465.498 5.123 50 10 JKGE CCn1cc(Br)c([C@H](Br)c2c(C)cc(C)c(Br)c2C)n1 2181177457 QUQSRZGMKDMRFF-CQSZACIVSA-N 465.027 5.838 50 10 JKGE CC1(C)CC[C@H](CO[C@H](CI)c2cccc(Br)c2)OC1 2197343202 TYHZCBDHJOQPBE-HUUCEWRRSA-N 453.158 5.147 50 10 JKGE COc1c(Cl)cc(Br)cc1[C@H](Br)Cc1ccc(Br)cc1 2203002142 JRFRCLPLMGKMJH-CYBMUJFWSA-N 483.425 6.552 50 10 JKGE Cc1c(Br)ccc([C@H](Br)C(C)(C)C2CCCCC2)c1Br 2203690932 GTHUAZOJCVKSFJ-INIZCTEOSA-N 467.083 7.563 50 10 JKGE Cc1c(Br)csc1[C@H](Br)c1cc(F)c(Br)cc1F 2219007415 OJJZRJGSJXQHCU-LLVKDONJSA-N 460.963 6.344 50 10 JKGE Cc1cc(Br)c([C@H](Br)[C@H]2C[C@H]3CC[C@H]2O3)c(C)c1Br 2227353032 FAGKEUUPFMLRGS-KVQFHVITSA-N 453.012 5.832 50 10 JKGE Cc1cc(Br)c(CN(C)c2ccc(CBr)cc2Br)s1 2229401251 IBUTWGBTQWHDCK-UHFFFAOYSA-N 468.052 6.113 50 10 JKGE COc1cc(F)cc([C@@H](Br)c2cc(Br)c(Br)cc2F)c1 2234414463 NKCMNIIPHIHDBG-CQSZACIVSA-N 470.933 5.983 50 10 JKGE Cc1cc(Br)c([C@H](Cl)c2cccc(Br)c2C)c(C)c1Br 2235604117 MQRHDQNXJHITKR-MRXNPFEDSA-N 481.453 7.228 50 10 JKGE Cc1cc(Br)c([C@@H](Br)Cc2cc(Cl)cc(Cl)c2)cc1Cl 2240881841 WJVCCYNDTDAWBU-AWEZNQCLSA-N 457.420 7.396 50 10 JKGE CCN(C[C@](C)(CI)OCCCC[C@H]1C[C@H]1C)C(=O)OC(C)(C)C 2248462180 BQZQKJVFZZEIGX-GJYPPUQNSA-N 453.405 5.280 50 10 JKGE Cc1cc(Br)cnc1C(=O)N(Cc1ccccc1)[C@@H](CBr)C(C)C 2248980796 IVOGCRIIRFNLGK-KRWDZBQOSA-N 454.206 5.214 50 10 JKGE Cc1cc(Cl)c(Cl)cc1[C@@H](Br)c1cccc(I)c1 2253413840 HEZKXZBTWHOOTD-AWEZNQCLSA-N 455.948 6.391 50 10 JKGE Clc1ccc([C@H](Cl)Cc2ccc(Br)cc2)cc1I 2256366415 HZJDEMQOUABQHK-CYBMUJFWSA-N 455.948 6.230 50 10 JKGE Cc1c(Br)csc1[C@H](Cl)Cc1cc(Br)cc(Br)c1 2263516049 WTBMNZBXFHOONE-GFCCVEGCSA-N 473.455 6.867 50 10 JKGE Clc1c(Br)csc1[C@H](Br)c1cc2c(cc1Br)OCC2 2264607069 IGGDTQQTRKWZQI-LLVKDONJSA-N 487.438 6.346 50 10 JKGE Cc1cc(F)c([C@H](Br)c2ccc(Cl)c(I)c2)cc1F 2268274487 AMJJHKRQLLUEBU-CQSZACIVSA-N 457.483 6.016 50 10 JKGE Fc1cc(Br)c(Br)cc1[C@H](Br)[C@]12CCCC[C@@H]1CC2 2273345614 WHQRXTOMSVXVRL-NKZPBKNFSA-N 455.003 6.757 50 10 JKGE CC(C)[S@](=O)(=NCCCCCCCBr)[C@H]1CCN(C(=O)OC(C)(C)C)C1 2277441461 AKYFOXIVQMQVHI-MRDQGFSESA-N 453.487 5.218 50 10 JKGE FC(F)(F)c1ccc([C@@H](Br)c2c(Cl)sc(Br)c2Cl)s1 2277704394 AVSMXVDUONGXGC-ZCFIWIBFSA-N 474.976 7.382 50 10 JKGE COc1c(Br)cc(Cl)c(C)c1[C@@H](Br)c1coc(Br)c1 2277882738 FKRYYJDCLXAIMM-LBPRGKRZSA-N 473.386 6.259 50 10 JKGE Cc1c(F)cccc1[C@H](Br)Cc1cc(Br)cc(Br)c1 2277959200 PPGWUIJSKDXMRD-CQSZACIVSA-N 450.971 6.338 50 10 JKGE Cc1cc(Cl)ccc1[C@@H](Br)Cc1cc(Br)cc(Br)c1 2277965844 NWVMMJOAYLVVSS-HNNXBMFYSA-N 467.426 6.852 50 10 JKGE COc1ccc(Oc2cc(Br)ccc2CBr)cc1Br 2277988340 DRUFJJPDUNQBPB-UHFFFAOYSA-N 450.952 5.907 50 10 JKGE Cc1cc(Br)c([C@H](Br)c2cccc(C)c2Br)c(C)c1F 2279144553 OOUIDNDHSXACQP-OAHLLOKOSA-N 464.998 6.760 50 10 JKGE CC(C)c1cc(Br)cc(C[C@@H](Br)c2cccc(Br)c2)c1 2280683905 MKPXNBVNNHQYSY-QGZVFWFLSA-N 461.035 7.014 50 10 JKGE Cc1ccc(N2C(=O)[C@@H](Cc3ccccc3C)SC2=C(C#N)C(=O)NCCc2ccccc2)cc1 2293038481 GMJHNVDUONCVFY-AREMUKBSSA-N 481.621 5.089 50 10 JKGE Brc1cc(Br)cc(C[C@H](Br)[C@H]2C[C@H]2C2CCCCC2)c1 2295334131 SBANQPHOOWWMJN-ULQDDVLXSA-N 465.067 6.734 50 10 JKGE CCOC(=O)c1c(NC(=O)C(C#N)=Cc2ccc(-c3cccc(Cl)c3)o2)sc2c1CCCC2 2296832246 ATLWTIBIHSBIQJ-UHFFFAOYSA-N 480.973 6.263 50 10 JKGE Cc1ccc(NC(=O)C(C#N)=C2S[C@@H](Cc3cccc([N+](=O)[O-])c3)C(=O)N2c2ccc(C)cc2)cc1 2296834881 ZQVIIXFXQRKCMZ-DEOSSOPVSA-N 498.564 5.277 50 10 JKGE C[C@@H](CC(C)(C)C)[C@H](Br)c1ccc(OCc2ccccc2)cc1Br 2299502968 AXKNSWTZBYEIME-YWZLYKJASA-N 454.246 7.536 50 10 JKGE Clc1cc([C@@H](Cl)c2ccc(OCc3ccccc3)cc2Br)c(Cl)s1 2299521597 GYWXZANFZJGSHP-KRWDZBQOSA-N 462.623 7.725 50 10 JKGE FC1CCC([C@@H](Br)c2ccc(OCc3ccccc3)cc2Br)CC1 2299535818 SWZZKMHJKSNOOH-ALLBUHFWSA-N 456.193 6.992 50 10 JKGE Cc1c(Cl)sc(Cl)c1[C@@H](Cl)c1cc(Br)sc1Br 2299542309 HUTHNIFTWBPKIA-ZETCQYMHSA-N 455.451 7.278 50 10 JKGE Cc1scc([C@H](Br)c2sc(C)c(Br)c2C)c1Br 2303637278 IREDHMYCIVSBMY-NSHDSACASA-N 459.066 6.744 50 10 JKGE CCOc1cc(C=C(C#N)C(=O)Nc2ccc(C)cc2)ccc1OCc1ccc2ccccc2c1 2313568255 QPTCTNQIGYPESZ-UHFFFAOYSA-N 462.549 6.672 50 10 JKGE CCOc1cc(C=C(C#N)C(=O)Nc2cccc([N+](=O)[O-])c2)ccc1OCc1ccccc1F 2313730514 ZHDBOBAFEBZOFK-UHFFFAOYSA-N 461.449 5.257 50 10 JKGE Brc1ccc(OCc2ccccc2)c([C@H](Br)[C@@H]2OC[C@H]3CCC[C@H]32)c1 2314443004 DSKRBROVGQZFNT-XCBAANBCSA-N 466.213 6.279 50 10 JKGE FC12CCC([C@H](Br)c3cc(Br)ccc3OCc3ccccc3)(CC1)C2 2314454293 FKSVTHWYEGUELQ-QNGMFEMESA-N 468.204 7.137 50 10 JKGE N#CC(=Cc1ccc(N2N=C(c3ccccc3)C[C@@H]2c2ccccc2)cc1)C(=O)Nc1ccccc1 2314482919 ZLEXXQNVLOUFBF-SSEXGKCCSA-N 468.560 6.588 50 10 JKGE COc1cc(C=C(C#N)c2ccc(Cl)cc2)ccc1OC(=O)COc1ccc(Cl)cc1 2314720662 XVQPVUOXADFWLB-UHFFFAOYSA-N 454.309 6.051 50 10 JKGE Cc1scc([C@H](Cl)c2cc(Br)c(Br)cc2F)c1Br 2320487605 ZHDFTDSHSBYPMH-GFCCVEGCSA-N 477.418 6.811 50 10 JKGE COc1ccc(C(C#N)=Cc2ccc(OC(=O)C(c3ccccc3)c3ccccc3)c(OC)c2)cc1 2320507045 XMRBIZGRHQHVRA-UHFFFAOYSA-N 475.544 6.505 50 10 JKGE CCN(CC)Cc1ccc(C=NNC(=O)c2ccc(-c3ccc(Cl)cc3Cl)nc2C)cc1 2321242313 CAIHGOTVUQYRHQ-UHFFFAOYSA-N 469.416 5.970 50 10 JKGE COc1ccc(Br)cc1C=C1Oc2cc(OCc3ccc(CCl)cc3)ccc2C1=O 2325339390 LJHRPVQTUGYIRX-UHFFFAOYSA-N 485.761 6.392 50 10 JKGE COc1ccc(OC)c(C=C2Oc3cc(OCc4cccc(CCl)c4)cc(C)c3C2=O)c1 2325361126 NBWCGLSNAOKYBD-UHFFFAOYSA-N 450.918 5.946 50 10 JKGE C[C@@H](Oc1ccc(Cl)cc1)C(O)=C(C#N)c1nc(-c2ccc(Cl)cc2Cl)cs1 2331251209 JLEDJSLMEQNSIK-LLVKDONJSA-N 451.762 7.030 50 10 JKGE Cc1nc2ccc(C(O)=C(C#N)c3nc(-c4ccc(Cl)c(Cl)c4)cs3)cc2nc1C 2331311748 UMIFHDZYGVIOSJ-UHFFFAOYSA-N 453.354 6.627 50 10 JKGE COc1ccc(C)cc1-c1csc(C(C#N)=C(O)CCCOc2ccc3ccccc3c2)n1 2331323610 KKOSRQNWJQUOHS-UHFFFAOYSA-N 456.567 6.932 50 10 JKGE CCOc1ccccc1OCC(O)=C(C#N)c1nc(-c2ccc(Oc3ccccc3)cc2)cs1 2331358929 GCOZYKSWBHMTNK-UHFFFAOYSA-N 470.550 6.873 50 10 JKGE COc1cc(OC)cc(C(O)=C(C#N)c2nc(-c3cc(Cl)cc(Cl)c3OC)cs2)c1 2331362515 SUXJLNAOBZTEPJ-UHFFFAOYSA-N 463.342 6.093 50 10 JKGE CCOc1cc(C(O)=C(C#N)c2nc(-c3c(C)cc(C)cc3C)cs2)cc(OCC)c1OCC 2331393176 UVRKRMTVINOEAA-UHFFFAOYSA-N 478.614 6.881 50 10 JKGE CCCCc1ccc(N2C[C@@H](C(O)=C(C#N)c3nc(-c4ccc(Cl)s4)cs3)CC2=O)cc1 2331402155 UZHGTXYEXXPZCC-INIZCTEOSA-N 484.046 6.713 50 10 JKGE CC[C@H](C)[C@H](C(O)=C(C#N)c1nc(-c2ccc(Cl)s2)cs1)N1C(=O)c2ccccc2C1=O 2331402346 QUBXNBPWCNSUEV-HXPMCKFVSA-N 484.002 6.029 50 10 JKGE N#CC(=C(O)CNC(=O)c1ccc(Cl)cc1)c1nc(-c2cc(Cl)ccc2Cl)cs1 2331403982 PPRHRCATSWHNFH-UHFFFAOYSA-N 464.761 5.993 50 10 JKGE N#CC(=Cc1ccccc1OCc1ccc(Cl)cc1)c1nc(-c2ccc3ccccc3c2)cs1 2331416720 IQZHUUKEEKRQGY-UHFFFAOYSA-N 479.004 8.260 50 10 JKGE CCCOc1ccc(-c2csc(C(C#N)=Cc3ccc(Cl)c([N+](=O)[O-])c3)n2)cc1OCCC 2331438038 SYQSTQPVKKNNQJ-UHFFFAOYSA-N 483.977 7.013 50 10 JKGE COc1ccc(OC)c(-c2csc(C(C#N)=Cc3ccc(OCc4ccccc4)cc3)n2)c1 2331450525 UMIUEWATBGKLGQ-UHFFFAOYSA-N 454.551 6.470 50 10 JKGE COc1c(Cl)cc(-c2csc(C(C#N)=Cc3cccc(Br)c3)n2)cc1Cl 2331479099 VKQURJHWZUKEJX-UHFFFAOYSA-N 466.187 6.952 50 10 JKGE COc1c(Cl)cc(-c2csc(C(C#N)=Cc3ccc(Cl)cc3Cl)n2)cc1Cl 2331480435 QUIZTTUTDGEAAE-UHFFFAOYSA-N 456.181 7.496 50 10 JKGE Cc1cc(Br)c(C)c([C@H](Br)[C@@H]2C[C@H]3CC[C@@H]2C3)c1Br 2334621124 OGHBHWDDLUOYRG-XSUJLISDSA-N 451.040 6.701 50 10 JKGE CS[C@H]1C[C@H](CC(CBr)(CBr)c2ccccc2Br)C1 2335734655 HDXIMOLABIOLGJ-HAQNSBGRSA-N 471.096 6.008 50 10 JKGE CCC(CC)([C@H](Br)c1ccc(OCc2ccccc2)cc1Br)C(F)(F)F 2336052406 AJUTWIIPPHYQOO-GOSISDBHSA-N 494.189 7.833 50 10 JKGE Cc1c(Cl)cc([C@@H](Br)c2c(Cl)sc(Cl)c2C)cc1Br 2336101228 NENXJNMWMPFOQV-LLVKDONJSA-N 463.449 7.572 50 10 JKGE CCCc1sc(Br)cc1[C@@H](Cl)c1c(F)cccc1I 2338021279 RFGNEDYUNGTFPH-CQSZACIVSA-N 473.576 6.535 50 10 JKGE COc1c(Br)cc(C)c([C@@H](Br)[C@H]2C[C@@H]3C[C@@H]3C2)c1Br 2339650277 DMFQVCYRMBCJPY-WJZNIJOASA-N 453.012 6.011 50 10 JKGE COc1ccc([C@H](Br)c2ccc(Cl)cc2I)c(F)c1 2340061982 UHFZEFWGNNXQIE-AWEZNQCLSA-N 455.492 5.577 50 10 JKGE COc1ccc(Cl)cc1[C@@H](Br)c1ccc(Cl)cc1I 2340063095 HEFVSXCRIBQVQZ-AWEZNQCLSA-N 471.947 6.091 50 10 JKGE Brc1cccc(Br)c1CO[C@@H]1C[C@@H](Br)C12CCCC2 2340607328 TZWKXVLXNRNMRU-ZIAGYGMSSA-N 453.012 5.824 50 10 JKGE C[C@@H](Cc1ccc(I)c(Br)c1)[C@H](Br)c1ccccc1 2349777776 DOGDOARPNNOTQQ-ZBEGNZNMSA-N 494.008 6.369 50 10 JKGE Cc1ccc(N(C)Cc2ccc(I)cc2)c(CBr)c1Cl 2360645234 BWCNQFIWMQFRDF-UHFFFAOYSA-N 464.572 5.784 50 10 JKGE Fc1c(Br)cc(Cl)c([C@H](Br)[C@@]23CCCC[C@@H]2CC3)c1Br 2362225065 UHNOIEXRVKTCPA-UKXDHYTESA-N 489.448 7.411 50 10 JKGE Fc1c(Br)cc(Cl)c([C@H](Br)[C@@H]2[C@H]3CCCCC[C@H]32)c1Br 2362228926 PUKYZBASKDLLEL-AOOGTALZSA-N 489.448 7.266 50 10 JKGE COc1ccc(CCO[C@H]2CCCCC[C@H]2I)c(Br)c1 2364694814 DYWUEEZSRCDKEA-CVEARBPZSA-N 453.158 5.153 50 10 JKGE Cc1cc(Br)c(F)c(Br)c1[C@H](Br)CCOCC(F)(F)F 2365185280 IPNBMXGJGWIFOR-SSDOTTSWSA-N 486.923 6.064 50 10 JKGE Cc1cc(Br)c(F)c(Br)c1[C@@H](Br)C1CCC(F)(F)CC1 2365224745 BMCQOFZGLQKSDR-NSHDSACASA-N 478.972 6.921 50 10 JKGE ClCc1nc2c(Br)cccc2n1Cc1sc(Cl)cc1Br 2369901592 WBOLJEUTPVGVGG-UHFFFAOYSA-N 455.002 6.063 50 10 JKGE Cc1ccccc1[C@@H](CBr)OCc1cc(I)ccc1Cl 2380352661 DJMQWYDRUZCQAX-MRXNPFEDSA-N 465.556 5.906 50 10 JKGE N#C/C(=C/c1ccc(OC(=O)c2ccc(Cl)cc2)cc1)C(=O)Nc1cc([N+](=O)[O-])ccc1F 867531 OPIYXULGBJROTM-WJDWOHSUSA-N 465.824 5.152 50 10 JKGE CCOC(=O)c1c(-c2ccccc2)csc1NC(=O)/C(C#N)=C/c1ccc(OCC)c(OC)c1 1986292 AODBJHVROKTZHJ-CPNJWEJPSA-N 476.554 5.545 50 10 JKGE CCSc1ccsc1[C@@H]1C(C#N)=C(N)N(c2cccc(Cl)c2)C2=C1C(=O)CC(C)(C)C2 9981569 OSPMGMXAZKSSPS-HXUWFJFHSA-N 470.063 6.454 50 10 JKGE Cc1cc(OCC(=O)NNC(=O)COc2ccc(C(C)(C)C)cc2C(C)(C)C)cc(C)c1Cl 14661604 OMDUJKUQHKNZBA-UHFFFAOYSA-N 475.029 5.157 50 10 JKGE C=CCOc1ccc(Br)cc1/C=N/NC(=O)[C@H](C)Oc1ccc(OCCCCC)cc1 20582703 BFCIIIBMPXBMDD-WYZSWBMLSA-N 489.410 5.501 50 10 JKGE Cc1cccc(C(=O)Nc2ccc(C(=O)N/N=C\c3ccccc3OCc3ccccc3)cc2)c1 33407391 MKNQSTACVSDPRF-FSGOGVSDSA-N 463.537 5.590 50 10 JKGE CCOC(=O)c1c(NC(=O)/C(C#N)=C\c2ccc(-c3cc(Cl)ccc3Cl)o2)sc(C)c1C 34367113 YIFKVTVUXHAVPO-ZROIWOOFSA-N 489.380 6.654 50 10 JKGE CCOc1ccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4ccc(Cl)cc4)ccc32)cc1OC 38659468 GBZNABVQSSUQDD-DEOSSOPVSA-N 476.916 5.185 50 10 JKGE N#CC1=C(N)Oc2cc(OC(=O)c3ccccc3Cl)ccc2[C@H]1c1c(F)cccc1Cl 38680177 IICOGTSIWPVXMW-HXUWFJFHSA-N 455.272 5.570 50 10 JKGE CCOc1ccccc1C(=O)Oc1ccc2c(c1)OC(N)=C(C#N)[C@@H]2c1cccc(OCCC(C)C)c1 38684725 ZDNMBHXFPQRGOM-MUUNZHRXSA-N 498.579 5.948 50 10 JKGE CCCCC1CCC(C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@H]3c2cccc3ccccc23)CC1 38688562 GFRNJUQSTUIZCO-PEAVAXHTSA-N 480.608 6.960 50 10 JKGE Cc1ccc(C(C)C)c(OC(=O)c2oc3c(c2C)/C(=N/NC(=O)c2ccc4ccccc4n2)CCC3)c1 40825922 WBLGAINBNLLJBU-AWSUPERCSA-N 495.579 6.258 50 10 JKGE COC(=O)c1c(NC(=O)N/N=C/c2cccc(OCc3ccccc3)c2)sc2c1CCCC2 40844494 CHWCKDGCECUBFG-CVKSISIWSA-N 463.559 5.148 50 10 JKGE CCOc1ccc(/C=N/NC(=O)COc2ccc(-c3ccccc3)cc2Br)cc1OC 40910864 BGHHWVPNMHFWDI-CVKSISIWSA-N 483.362 5.053 50 10 JKGE Cc1cc(OCC(=O)N/N=C/c2ccc(Cl)cc2Cl)c(Br)c(C)c1Cl 40950688 CZLOTGBXPOWBCG-QPJQQBGISA-N 464.574 5.555 50 10 JKGE C=CCc1cc(/C=N/NC(=O)c2ccc(-n3c(C)ccc3-c3ccccc3)cc2)cc(OCC)c1O 59304039 WZXFKZIVFBDOIE-AJBULDERSA-N 479.580 6.049 50 10 JKGE Cc1ccc(C)c(OCCCC(C)(C)C(=O)NNC(=O)c2ccccc2OCc2ccccc2)c1 66201477 XSHLVGGAIOUBGD-UHFFFAOYSA-N 474.601 5.529 50 10 JKGE CCOc1cc(/C=C(/C#N)C(=O)Nc2ccc([N+](=O)[O-])cc2C)ccc1OCc1ccc(C)cc1 89991000 BPQLWOZJKVVSHL-HMAPJEAMSA-N 471.513 5.735 50 10 JKGE CCCCCCCOc1ccc(C(=O)NNC(=O)c2ccc(NC(=O)CCCC)cc2)cc1 100153798 ULLHKMQLNRUYOA-UHFFFAOYSA-N 453.583 5.239 50 10 JKGE CCOc1ccc(N2C(=O)[C@@H](Cc3ccccc3)S/C2=C(/C#N)C(=O)N[C@@H](C)c2ccccc2)cc1 101243793 QLESHEFLPOKSLV-LOZPHZJQSA-N 497.620 5.389 50 10 JKGE COc1ccc(N/C=C(/C#N)c2nc(-c3cc4cc(Cl)ccc4oc3=O)cs2)cc1OC 102934660 IZPUNQYNDJQPIH-KAMYIIQDSA-N 465.918 5.564 50 10 JKGE N#C/C(=C/Nc1ccc(Cl)c(C(F)(F)F)c1)c1nc(-c2cccc3ccccc23)cs1 102937699 INABZPVIYSSRHZ-QINSGFPZSA-N 455.892 7.612 50 10 JKGE Cc1cccc(C[C@@H]2S/C(=C(\C#N)C(=O)Nc3ccccc3)N(c3ccc(F)cc3)C2=O)c1 102973870 BWCHIACLJKCYLW-GPSDDGMOSA-N 457.530 5.199 50 10 JKGE CCCCCCNC(=O)/C(C#N)=C1/N=C(NC(=O)c2ccc(Cl)cc2Cl)c2ccccc21 102985019 MKWNLGHSPQJVMK-XUTLUUPISA-N 469.372 5.115 50 10 JKGE COc1cccc(N/C=C(/C#N)c2nc(-c3cc4c(ccc5ccccc54)oc3=O)cs2)c1 103984979 OVJTYGCBHBXQJM-VKAVYKQESA-N 451.507 6.055 50 10 JKGE Cl[C@H](Cc1ccc(Br)cc1)c1cc(Br)ccc1Br 104044531 ZSLSDSPNTQAJGL-CQSZACIVSA-N 453.399 6.497 50 10 JKGE CC(C)(C)C1CCC([C@H](Br)c2cc(Br)ccc2Br)CC1 109844848 YSGVIKAYVAXJIX-PPUFBPAQSA-N 467.083 7.500 50 10 JKGE CC(C)C(CBr)(CBr)Cc1ccc(I)cc1 118127299 KISFUCJKMVJIBQ-UHFFFAOYSA-N 459.991 5.266 50 10 JKGE Fc1cccc(C[C@H](CBr)Cc2cccc(Br)c2)c1Br 157904447 XZZUABHJVNYYIN-GFCCVEGCSA-N 464.998 6.147 50 10 JKGE COc1c([N+](=O)[O-])cc(/C(C#N)=C\c2ccc(OCc3ccccc3)cc2)c([N+](=O)[O-])c1OC 207383447 QQDZHZPBDDBYQQ-PDGQHHTCSA-N 461.430 5.163 50 10 JKGE COc1ccc([C@H](Br)c2cc(Br)c(C)cc2Br)c(F)c1 228791199 WOIPGBBJFRMOGU-HNNXBMFYSA-N 466.970 6.152 50 10 JKGE Cc1cc([C@@H](Br)c2ccc(I)c(Cl)c2)c(C)cc1Cl 232344145 GYORFWIHHIRXQU-HNNXBMFYSA-N 469.975 6.699 50 10 JKGE COc1ccc(C[C@@H](Br)c2ccc(I)c(Cl)c2)cc1 232386335 BFWYZLNVOCAYAK-CYBMUJFWSA-N 451.529 5.632 50 10 JKGE CCOc1ccc([C@@H](Cl)c2cc(Br)sc2Br)cc1Br 233796343 WZYVERMXLYKLGK-GFCCVEGCSA-N 489.454 6.763 50 10 JKGE Clc1ccc([C@H](Cl)c2cc(Br)sc2Br)c(Br)c1 236034149 UBIWSHLWHJXOQN-JTQLQIEISA-N 479.846 7.017 50 10 JKGE O=C(CSc1nc2ccccc2n1Cc1ccc(Cl)cc1)NN=Cc1ccccc1F 252604650 GCEMIYZXPHZNKT-UHFFFAOYSA-N 452.942 5.120 50 10 JKGE O=C(NN=Cc1cc(Cl)ccc1OCc1c(F)cccc1Cl)c1cc(Cl)ccc1O 254289912 RJYCMKLDQBFWHK-UHFFFAOYSA-N 467.711 5.834 50 10 JKGE COc1cccc2cc(C(=O)NN=Cc3c(OCc4ccc([N+](=O)[O-])cc4)ccc4ccccc34)oc12 254430427 UPHJCGPGQPMCHT-UHFFFAOYSA-N 495.491 5.846 50 10 JKGE COc1ccc(Br)cc1C(=O)NN=Cc1ccc(OCc2ccccc2)c(Cl)c1 254633187 PCJXDTJBWBOYNF-UHFFFAOYSA-N 473.754 5.454 50 10 JKGE COc1ccc(C=NNC(=O)CCn2c(-c3ccccc3)c(-c3ccccc3)c3ccccc32)cc1O 254707122 NZILOJHOXKQUAC-UHFFFAOYSA-N 489.575 6.230 50 10 JKGE COc1cc(-c2cc(C(=O)NN=Cc3c(C)[nH]c4ccccc34)[nH]n2)ccc1OCc1ccccc1 254838611 QHUDRMKQLNWEHD-UHFFFAOYSA-N 479.540 5.218 50 10 JKGE Cn1c(C(=O)NN=C(c2ccc(C(F)(F)F)cc2)c2cccc(C(F)(F)F)c2)cc2ccccc21 263631896 CCZFNOZRDMIHKC-UHFFFAOYSA-N 489.419 6.398 50 10 JKGE C[C@@H](Cl)c1nc2cc(I)ccc2n1-c1cccc(OCc2ccccc2)c1 313446491 BJTBHKKVDPJFJM-OAHLLOKOSA-N 488.756 6.509 50 10 JKGE COc1cc(C)c(Br)cc1[C@H](Cl)c1sccc1I 381389019 UJGFKEHFIIAZEH-LBPRGKRZSA-N 457.558 5.760 50 10 JKGE Brc1cc([C@H](Br)c2ccc3sccc3c2)c(Br)s1 386259893 VDZJJIDPAZFTEZ-GFCCVEGCSA-N 467.045 6.972 50 10 JKGE Cc1cc(Br)c([C@@H](Cl)c2cccc(OCc3ccccc3)c2)cc1Br 394058023 HIVUTWQHUXQIPO-NRFANRHFSA-N 480.627 7.427 50 10 JKGE Brc1cc([C@H](Br)c2csc3c2CCCC3)c(Br)s1 399841043 SWUXXHACWIMBKL-LBPRGKRZSA-N 471.077 6.698 50 10 JKGE CC(C)(C)CN(CCBr)C(=O)c1cc(Br)ccc1Br 690954774 LBYAZSPKPWNEPN-UHFFFAOYSA-N 456.016 5.095 50 10 JKGE N#Cc1ccc2nc(CCCl)n(CC3(N(Cc4ccccc4)Cc4ccccc4)COC3)c2c1 705608861 HNPQTRXOBIFOGB-UHFFFAOYSA-N 471.004 5.161 50 10 JKGE Cc1cccc2c1nc([C@@H](C)Cl)n2CC1(N(Cc2ccccc2)Cc2ccccc2)COC1 706571331 CETRPGDQONKVMB-JOCHJYFZSA-N 460.021 6.116 50 10 JKGE O=[N+]([O-])c1sc(CBr)cc1N1CC[C@@H]2[C@H](CCCN2Cc2ccccc2)C1 715015766 UJBXVULHXJDCLJ-SJLPKXTDSA-N 450.402 5.042 50 10 JKGE FC(F)(F)c1cc([C@H](Br)c2cc(Br)sc2Br)cs1 718834495 ZWDGUZOJEQXUJL-QMMMGPOBSA-N 484.982 6.838 50 10 JKGE CC(=NNC(=O)c1ccc(COc2ccccc2-c2ccccc2)cc1)c1ccc([S@](=N)(=O)O)cc1 915913827 CPYNHSJDDASLNI-UHFFFAOYSA-N 499.592 5.965 50 10 JKGE O=C(Nc1ccccc1C(=O)NN=Cc1c2ccccc2cc2ccccc12)c1ccc(Cl)cc1 1084099598 DKAIDDAJLJQBFX-UHFFFAOYSA-N 477.951 6.663 50 10 JKGE CC(=NNC(=O)[C@H](C)Sc1ccc(Cl)cc1)c1ccc(NC(=O)c2ccccc2)cc1 1084534762 PPQGKRDWAZAWSJ-KRWDZBQOSA-N 451.979 5.613 50 10 JKGE CCc1nn(Cc2ccccc2Cl)c2c1[C@@H](c1ccc(Cl)cc1Cl)C(C#N)=C(N)O2 1865686136 RDXJBTKZXXQLDF-IBGZPJMESA-N 459.764 5.672 50 10 JKGE Cc1nn(-c2ccc(Cl)cc2)c2c1[C@@H](c1ccc(OCc3ccccc3)cc1)C(C#N)=C(N)O2 1865690177 KSXACOYMWBVVAY-VWLOTQADSA-N 468.944 5.631 50 10 JKGE CCc1nn(Cc2ccccc2Cl)c2c1[C@@H](c1ccc(Br)cc1)C(C#N)=C(N)O2 1865714292 GPFJJRDEGWDZMU-IBGZPJMESA-N 469.770 5.128 50 10 JKGE CC(C)c1nc(Nc2ccc(SC#N)cc2)cc(N2C[C@H](c3ccccc3)Cc3ccccc32)n1 1868231302 BSHLGOPBFJKESV-HSZRJFAPSA-N 477.637 7.395 50 10 JKGE CCc1ccc(-c2csc(/C(C#N)=C(O)/C(=C/c3ccc(OC)c(OC)c3)c3ccccc3)n2)cc1 1872744540 XGVDNJQKDFMPDU-XICCPGFZSA-N 494.616 7.423 50 10 JKGE COc1cc(/C=C/C(O)=C(\C#N)c2nc(-c3ccc(C(C)(C)C)cc3)cs2)ccc1OC(C)=O 1872750311 BJFKGKVZTKRACD-LGSFVZSTSA-N 474.582 6.548 50 10 JKGE CC(C)c1csc(/C(C#N)=C(\O)c2ccc(N3COc4ccc5ccccc5c4C3)cc2)n1 1872750398 IIDJQGIVBQGVDL-ROMGYVFFSA-N 453.567 6.726 50 10 JKGE Cc1cc(C)c(C)c(-c2csc(/C(C#N)=C(\O)c3cc([N+](=O)[O-])cc([N+](=O)[O-])c3)n2)c1C 1872754504 WBZHIFXASXEUMJ-UZYVYHOESA-N 450.476 5.810 50 10 JKGE COc1c(C)cc(C)cc1-c1csc(/C(C#N)=C(\O)CNC(=O)c2ccc(C(C)(C)C)cc2)n1 1872754987 STXILHRDBFOXII-LNVKXUELSA-N 475.614 5.956 50 10 JKGE COc1c(C)cc(C)cc1-c1csc(/C(C#N)=C(\O)c2ccc(N3CCCC3)c([N+](=O)[O-])c2)n1 1872755043 VYPYVVMPYKOHSJ-NMWGTECJSA-N 476.558 5.894 50 10 JKGE COc1c(C)cc(Cl)cc1-c1csc(/C(C#N)=C(\O)COc2ccc(C)cc2C(C)(C)C)n1 1872757248 WVKYMMBMDCLKII-QOCHGBHMSA-N 483.033 7.258 50 10 JKGE COc1ccc(Cl)cc1-c1csc(/C(C#N)=C(\O)c2ccc(N3CCOCC3)c([N+](=O)[O-])c2)n1 1872758546 GFRBQMIWPIJKNT-XLNRJJMWSA-N 498.948 5.167 50 10 JKGE CCCOc1ccc(-c2csc(/C(C#N)=C/c3c(Cl)cccc3Cl)n2)cc1OCCC 1872790006 DXQWFJTYXJQDAD-SFQUDFHCSA-N 473.425 7.759 50 10 JKGE CCOc1c(Br)cc(/C=C(\C#N)c2nc(-c3ccc(C(C)C)cc3)cs2)cc1OC 1872791999 YXWRZAXCPHZYTP-VXLYETTFSA-N 483.431 7.167 50 10 JKGE CCOc1ccc(-c2csc(/C(C#N)=C/c3ccc(OC(=O)c4ccccc4)cc3)n2)c(OCC)c1 1872794180 NPQPXESPWLUYLQ-CJLVFECKSA-N 496.588 6.891 50 10 JKGE COc1ccc(C)cc1-c1csc(/C(C#N)=C(\O)[C@H](C(C)C)N2C(=O)c3ccccc3C2=O)n1 1873920263 BJCJFIMSUUDTPJ-PJJVEECESA-N 473.554 5.241 50 10 JKGE C[C@]1(C(F)(F)F)C[C@H]1Oc1c(Br)cc(Br)cc1CBr 1909563174 PCXIXHNWAJFFDT-KOLCDFICSA-N 466.917 5.826 50 10 JKGE CC[C@@H](Br)CN(Cc1ccccc1)C(=O)c1cc(Br)ccc1Cl 1915076776 QUGZPVVTNNSVHI-CQSZACIVSA-N 459.609 5.918 50 10 JKGE O=C(c1cc(Br)c(Br)s1)N(Cc1ccccc1)[C@@H](CCl)C1CC1 1915207100 DLXVDGICCKHTHM-AWEZNQCLSA-N 477.649 5.933 50 10 JKGE Fc1c([C@H](Cl)c2sc(Br)cc2Br)cccc1C(F)(F)F 1922882333 LAERASJVJKECKG-VIFPVBQESA-N 452.492 6.759 50 10 JKGE CC[C@H](C[C@H](Br)c1sc(Br)c(C)c1Br)C(C)(C)C 1922912848 RKYRBBJNKUSYSX-ZJUUUORDSA-N 461.101 7.480 50 10 JKGE Cc1c(Br)sc([C@@H](Br)C23CCC(CC2)C3(C)C)c1Br 1922931869 GTJZCTICLOFAPY-YAKODHLKSA-N 471.096 7.234 50 10 JKGE Cc1cc([C@@H](Cl)c2sc(Br)c(C)c2Br)ccc1Br 1922942087 QFCRNCARCDYUFZ-LLVKDONJSA-N 473.455 6.981 50 10 JKGE Cc1cccc([C@H](Cl)c2sc(Br)cc2Br)c1Br 1922942144 QJEIQPKEZDDISS-NSHDSACASA-N 459.428 6.672 50 10 JKGE Cc1c(Br)sc([C@H](Br)[C@H]2CC3CCC2CC3)c1Br 1922945398 FXBJDOAKQGJYKU-ILDFIYDHSA-N 457.069 6.844 50 10 JKGE COc1cc([C@@H](Br)c2c(Br)sc(Br)c2Cl)ccc1F 1923068626 UOXJOJSKRMGAIK-SECBINFHSA-N 493.417 6.559 50 10 JKGE CC[C@@H]1OCC[C@H]1[C@@H](Cl)c1c(Br)sc(Br)c1Br 1924583236 HOYWVBKAZCOTSA-QIOHGKGESA-N 467.448 6.131 50 10 JKGE CC[C@@H](CC(C)C)[C@H](Cl)c1c(Br)sc(Br)c1Br 1924605280 OSXNJDXHSSKURZ-XVKPBYJWSA-N 467.492 7.388 50 10 JKGE C[C@]1([C@@H](Cl)c2c(Br)sc(Br)c2Br)CCOC1 1924612232 KPENDZUMCJEXFK-XVKPBYJWSA-N 453.421 5.742 50 10 JKGE Brc1ccsc1[C@@H](Br)c1c(Br)cccc1Br 1937828246 HGRPCMVPEFJPJD-JTQLQIEISA-N 489.852 6.520 50 10 JKGE Clc1cc(Br)cc([C@@H](Br)c2sc(Cl)cc2Br)c1 1948828357 JQAYURRRUFDJEF-SNVBAGLBSA-N 479.846 7.064 50 10 JKGE Brc1sc(Br)c([C@@H](Br)[C@@H]2[C@H]3CC[C@H]32)c1Br 1958608310 QCXQATAKYZNXLP-OHKRPGQBSA-N 479.857 6.128 50 10 JKGE Cc1sc(Br)c([C@H](Br)c2ccc(I)cc2)c1C 2024022237 FUICEINJUFEUOY-GFCCVEGCSA-N 486.010 6.216 50 10 JKGE Brc1ccc(C[C@@H](Br)c2c(Br)cccc2Br)cc1 2033091271 OWZDLEXNISZXSD-CYBMUJFWSA-N 497.850 6.653 50 10 JKGE C=CCC(CBr)(CBr)Cc1cc(Cl)c(C)c(Br)c1 2048496657 JICKXDCYMPIEOB-UHFFFAOYSA-N 459.447 6.306 50 10 JKGE CC[C@H](C)N(Cc1ccccc1)S(=O)(=O)c1cc(Br)cc(CBr)c1F 2059290726 CJVXTOMAHADEOJ-ZDUSSCGKSA-N 493.236 5.473 50 10 JKGE Clc1ccc(C[C@H](Br)c2ccc(Br)cc2)c(Br)c1 2077803006 OZXABASARLENQJ-ZDUSSCGKSA-N 453.399 6.544 50 10 JKGE COc1c(Br)cc(C)cc1[C@H](Br)c1csc(Br)c1 2083443234 BSJRWFDLSJQRKA-GFCCVEGCSA-N 455.009 6.074 50 10 JKGE BrC[C@@]1(Cc2cccc(Br)c2Br)CC12CCCCC2 2100467080 KASWZDJHTRMYPD-MRXNPFEDSA-N 451.040 6.490 50 10 JKGE C[C@@H]1C[C@@H](n2c(CCl)nc3cc(Br)c(Cl)cc32)CN1Cc1ccccc1 2103623722 LQAXSHPUNHHHEY-UKRRQHHQSA-N 453.211 6.027 50 10 JKGE ClC[C@@H](Cc1cc(Br)ccc1Br)c1cccc(Br)c1 2118523633 AQRQEVXCZDLRHZ-GFCCVEGCSA-N 467.426 6.539 50 10 JKGE Cc1cc([C@@H](Br)c2c(Br)cc(F)c(Cl)c2F)sc1Cl 2136967542 VOPFROCLDPRROB-SECBINFHSA-N 450.957 6.888 50 10 JKGE CC1(C)C2CCC1([C@@H](Br)c1ccc(Br)cc1Br)CC2 2138867202 RHHINDKXZACPCQ-BHKPVTDMSA-N 451.040 6.864 50 10 JKGE BrC[C@H]1CCC2(CCC2)N1Cc1cccc(Br)c1Br 2140847752 SOKHTJQUXJXUDF-GFCCVEGCSA-N 452.028 5.494 50 10 JKGE Clc1cc(CC[C@H](Br)c2ccccc2Cl)ccc1I 2142941916 ZMAUMCTWGBPOPI-LBPRGKRZSA-N 469.975 6.667 50 10 JKGE Cc1cc(Br)c([C@@H](Br)[C@@H]2C(F)(F)C23CCCC3)cc1Br 2153707455 HMMDHZUGICTMQU-OLZOCXBDSA-N 472.993 6.782 50 10 JKGE ClCc1ccc(Br)c(Cl)c1N1CC[C@@]2(CN(Cc3ccccc3)CCO2)C1 2154367790 SBHRGKLSKIGISZ-OAQYLSRUSA-N 470.238 5.323 50 10 JKGE CCCC(CBr)(CCC)CN1C[C@H](NC(=O)OC(C)(C)C)[C@H](C(F)(F)F)C1 2163058758 NPNVALJTINEFMW-CABCVRRESA-N 459.391 5.355 50 10 JKGE Brc1ccc([C@H](CI)O[C@H]2COC3(CCCC3)C2)cc1 2189462811 QWEGNTHDSUYJAW-CABCVRRESA-N 451.142 5.044 50 10 JKGE Cc1c(Br)ccc([C@H](Br)[C@H]2C[C@@H](OC(C)(C)C)C2)c1Br 2203683164 KJJAWDGFISTNRO-JRPNMDOOSA-N 469.055 6.550 50 10 JKGE Cc1c(Br)ccc([C@H](Br)[C@@H]2CCn3nccc3C2)c1Br 2203701323 ADKDYRUDMPRFEO-MEBBXXQBSA-N 463.011 5.415 50 10 JKGE FCCOc1ccccc1[C@@H](Br)c1ccc(Br)cc1Br 2203704732 MAXMXBHUNQWKOK-HNNXBMFYSA-N 466.970 6.044 50 10 JKGE CO[C@@H]1CCC[C@H]([C@@H](Br)c2cc(Br)c(Br)cc2F)C1 2225616565 GLESBSCOISQEHT-ATEUNZGCSA-N 458.991 5.992 50 10 JKGE Cc1cc(Br)c([C@H](Cl)c2ccc(OCc3ccccc3)cc2)c(C)c1Br 2227350511 HYZUWZOSCJNBSA-JOCHJYFZSA-N 494.654 7.736 50 10 JKGE CC(C)[C@@H]1CCC[C@@H]1[C@H](Br)c1c(Br)cc(Cl)c(Cl)c1Cl 2232509936 FMESMSJUDZUDRE-RVBZMBCESA-N 463.468 7.918 50 10 JKGE Cc1cc(Br)c([C@H](Br)c2cc(F)ccc2Br)c(C)c1Cl 2232526922 AXYWYZBNPQWGPU-CQSZACIVSA-N 485.416 7.105 50 10 JKGE CC(C)CC1([C@H](Br)c2cc(Br)c(Br)cc2F)CCCC1 2233975844 LYFKYVYZANLKOC-OAHLLOKOSA-N 471.046 7.393 50 10 JKGE Cc1cc(Br)c([C@@H](Br)[C@H]2[C@H]3CCCCC[C@H]32)c(C)c1Br 2235599256 LQLJACCKERSENE-DJZPMSPPSA-N 465.067 7.091 50 10 JKGE Cc1cc(Br)c([C@H](Br)C(C)(C)C2CCCC2)c(C)c1Br 2235613726 AGFHPLDRJTWXBQ-INIZCTEOSA-N 467.083 7.481 50 10 JKGE Fc1cccc2c1nc(CCl)n2-c1ccc(Br)cc1I 2240289761 UQAKARNROAUVCJ-UHFFFAOYSA-N 465.491 5.271 50 10 JKGE COC12CCC([C@@H](Br)c3cc(Br)c(C)cc3Br)(CC1)C2 2240296998 RLUDPQBZFCCBLO-FHERZECASA-N 467.039 6.305 50 10 JKGE Cc1ccc(I)c([C@H](Cl)c2scc(C(F)(F)F)c2Br)c1 2241002621 WIUUODZLYVRIJR-NSHDSACASA-N 495.529 6.771 50 10 JKGE CCCCCc1ccc([C@@H](Br)c2cc(C)ccc2I)s1 2241002623 WIYRXQWICKVWBX-KRWDZBQOSA-N 463.222 6.878 50 10 JKGE Cc1ccc([C@@H](Cl)c2sc(C)c(C)c2Br)cc1I 2253504723 MNGSPTKYQPJKSY-CYBMUJFWSA-N 455.586 6.369 50 10 JKGE Clc1cccc([C@@H](Cl)c2ccc(Br)cc2Br)c1Br 2256135497 FIADWKMUPMOIBY-ZDUSSCGKSA-N 473.817 6.956 50 10 JKGE FC(F)(F)c1csc([C@@H](Br)c2cc(Br)co2)c1Br 2258106865 JZXFHDXVCJTVDP-QMMMGPOBSA-N 468.914 6.369 50 10 JKGE C[C@@H](Br)CN(C(=O)c1csc(Br)c1Br)C(C)(C)C 2259777647 ILDALTPCIFNPLA-SSDOTTSWSA-N 462.045 5.297 50 10 JKGE Cc1cc(Br)c([C@H](Cl)Cc2cc(Br)cc(Br)c2)s1 2263451365 WXSCBNSUTGJDIU-GFCCVEGCSA-N 473.455 6.867 50 10 JKGE Cc1csc([C@@H](Br)Cc2cc(Br)cc(Br)c2)c1C 2263513437 NVQDHKQPWQFQNH-ZDUSSCGKSA-N 453.037 6.569 50 10 JKGE Cc1ccc([C@@H](Br)c2cccc(Cl)c2Br)c(C)c1Br 2267986110 QGWZTSFTHAGOIT-CQSZACIVSA-N 467.426 6.966 50 10 JKGE C=CC[C@]1(CBr)CCCN1Cc1ccc(Br)cc1Br 2272125166 BTXSOSGQMQJXPM-OAHLLOKOSA-N 452.028 5.517 50 10 JKGE COc1cc(Cl)c(Cl)cc1[C@@H](Br)c1ccc(Br)c(Cl)c1 2279046941 JLVSPYBEEBAQTF-AWEZNQCLSA-N 459.392 6.902 50 10 JKGE Brc1ccc(CN2C[C@H](Br)C[C@H]3CCCC[C@@H]32)c(Br)c1 2279526938 BIFRJNBZVLBJRY-XFJVYGCCSA-N 466.055 5.740 50 10 JKGE CC(C)CCCCCO[C@@](C)(CI)c1ccccc1Br 2284905546 IRCSQIHXSGNNGG-KRWDZBQOSA-N 453.202 6.332 50 10 JKGE COc1cc(C)c(Br)c(C)c1[C@H](Br)c1ccc(Br)cc1 2285073739 BEVRIPKMDKYNFR-MRXNPFEDSA-N 463.007 6.321 50 10 JKGE Fc1cc(Cl)c([C@H](Cl)c2cc(Br)c(Cl)cc2F)cc1Br 2285986554 XPXPYIDCHXZKKF-ZDUSSCGKSA-N 465.346 7.125 50 10 JKGE CCOc1cccc(NC(=O)C(C#N)=Cc2cn(CC(=O)Nc3ccccc3)c3ccccc23)c1 2294187505 YUKQLVTYCOBMEI-UHFFFAOYSA-N 464.525 5.224 50 10 JKGE COc1ccc([C@@H](Br)Cc2cc(Br)cc(Br)c2)cc1C 2295264246 CQMBCBAIVOCELF-HNNXBMFYSA-N 463.007 6.207 50 10 JKGE COc1ccc([C@@H](Br)Cc2cc(Br)cc(Br)c2)c(Cl)c1 2295266088 YTHSRFMCFZHDQJ-AWEZNQCLSA-N 483.425 6.552 50 10 JKGE COc1c(Br)cc(Cl)cc1[C@@H](Cl)c1sc(C)c(Br)c1C 2295358464 WUFGEXIEWQDQJP-GFCCVEGCSA-N 459.030 6.880 50 10 JKGE COc1c(Br)cc([C@@H](Br)c2cscc2Br)c(OC)c1C 2295427657 HDYHLTYNSMXIFN-GFCCVEGCSA-N 485.035 6.083 50 10 JKGE N#CC(=Cc1ccc(-c2ccc(F)cc2)o1)C(=O)Nc1ncc(Cc2ccc(Cl)c(Cl)c2)s1 2296818917 AILGNFGYKPCEQD-UHFFFAOYSA-N 498.366 6.985 50 10 JKGE CCc1ccsc1[C@@H](Br)c1ccc(OCc2ccccc2)cc1Br 2299530763 PGSXFXFDWMGCCQ-IBGZPJMESA-N 466.238 7.136 50 10 JKGE FC1(F)[C@H]([C@H](Br)c2sc(Cl)cc2I)C12CCC2 2301086496 OMWWEOGHKVWFJL-VXNVDRBHSA-N 453.517 5.878 50 10 JKGE CC1(C)[C@H]2CO[C@]1([C@@H](Br)c1c(Br)sc(Br)c1Cl)C2 2313361957 FXWKFKZLDCFNHC-CQZAFVHCSA-N 479.459 6.178 50 10 JKGE N#CC(=Cc1cc(Cl)ccc1OCc1cccc(Cl)c1)C(=O)Nc1ccccc1Cl 2313630907 HOSMPXZYXKRRRV-UHFFFAOYSA-N 457.744 6.771 50 10 JKGE CCOc1cc(C=C(C#N)C(=O)Nc2cccc(Cl)c2C)ccc1OCc1cccc(Cl)c1 2313681205 TYROTMITSZZWHT-UHFFFAOYSA-N 481.379 6.825 50 10 JKGE O=C(COc1ccc2cc(Br)ccc2c1Br)NN=CC=Cc1ccccc1 2313892534 UXPIHDFFISYSLE-UHFFFAOYSA-N 488.179 5.559 50 10 JKGE COc1cccc2cc(-c3nn(-c4ccccc4)cc3C=C(C#N)C(=O)Nc3ccc(C)cc3)oc12 2314450805 STVAGZAWHBBMFS-UHFFFAOYSA-N 474.520 6.148 50 10 JKGE Cc1cc([C@@H](Br)c2cc(Br)ccc2OCc2ccccc2)ccc1Cl 2314491204 QIAHPABXNCHMQU-OAQYLSRUSA-N 480.627 7.474 50 10 JKGE Cc1ccccc1Oc1nc2c(C)cccn2c(=O)c1C=C(C#N)C(=O)Nc1ccc(Cl)cc1 2314534090 YCTFKAXNWWVRIY-UHFFFAOYSA-N 470.916 5.303 50 10 JKGE COc1ccc(N2C(=O)[C@@H](Cc3ccccc3Cl)SC2=C(C#N)C(=O)Nc2ccccc2)cc1 2314591652 ANGVYUYBVXVSSI-HSZRJFAPSA-N 489.984 5.414 50 10 JKGE CCc1ccc(C[C@@H]2SC(=C(C#N)C(=O)Nc3ccc(C)cc3)N(c3ccc(CC)cc3)C2=O)cc1 2314592217 OCLSSXQCFCXMCO-MHZLTWQESA-N 495.648 6.185 50 10 JKGE CN[C@H](c1c(Cl)cc(Br)c(F)c1Br)[C@H]1C[C@@H](Br)C1 2315458276 LAOLSABRQCNCSA-MQNJHXBQSA-N 464.398 5.438 50 10 JKGE CCCc1sc(Br)cc1[C@H](Br)c1cc(Br)n(C)n1 2316181205 XNSXPJOOROUNHV-LBPRGKRZSA-N 457.029 5.443 50 10 JKGE Cc1cc(Br)c(F)c(Br)c1[C@H](Cl)c1csc(Br)c1 2317397426 BOZLNKRHUOCUFM-LLVKDONJSA-N 477.418 6.811 50 10 JKGE COc1ccc2c(c1)c(C=NNC(=O)c1ccc(-c3ccc(Cl)cc3Cl)nc1C)cn2C 2321242362 RHGRKZJLYXJWES-UHFFFAOYSA-N 467.356 5.628 50 10 JKGE CC(C)OC(=O)c1ccc(C(C#N)=Cc2ccccc2OCc2ccc(Br)cc2)o1 2331049677 DNMZZNIMYXPPPE-UHFFFAOYSA-N 466.331 6.250 50 10 JKGE C[C@@H](Oc1ccc(Cl)cc1Cl)C(O)=C(C#N)c1nc(-c2ccc(Cl)cc2Cl)cs1 2331254613 GHRJVNSFIXQEQF-SNVBAGLBSA-N 486.207 7.684 50 10 JKGE CCCOc1ccc(-c2csc(C(C#N)=C(O)Cc3ccc(F)cc3F)n2)cc1OCCC 2331293269 PYNQBOIJHNHVNA-UHFFFAOYSA-N 470.541 6.701 50 10 JKGE COc1cc(C)c(-c2csc(C(C#N)=C(O)C=Cc3ccc(C(C)C)cc3)n2)cc1C(C)C 2331353976 UWVKBHOGSKNDKY-UHFFFAOYSA-N 458.627 7.880 50 10 JKGE COc1cc(Cl)c(C)cc1-c1csc(C(C#N)=C(O)Cc2ccc(OC(C)C)cc2)n1 2331389173 AHZZUADKHMEHHA-UHFFFAOYSA-N 454.979 6.603 50 10 JKGE N#CC(=Cc1ccc(OCc2ccc(Cl)cc2)cc1)c1nc(-c2ccc3c(c2)OCO3)cs1 2331453893 WBIBOKCAQSNXRG-UHFFFAOYSA-N 472.953 6.835 50 10 JKGE COc1c(C)cc(C)cc1-c1csc(C(C#N)=Cc2ccccc2OCc2ccccc2Cl)n1 2331470011 XHTBJVWPSPHHFM-UHFFFAOYSA-N 487.024 7.732 50 10 JKGE CCOc1ccc(-c2csc(C(C#N)=Cc3ccc(OCC)c(OC)c3)n2)c(OCC)c1 2331473788 CMNFXEQECLXTNH-UHFFFAOYSA-N 450.560 6.079 50 10 JKGE Brc1cc(Br)cc(C[C@H](Br)C[C@H]2CCC[C@@H]3C[C@@H]32)c1 2335066656 PQHAERDHOGMVSI-NFFDBFGFSA-N 451.040 6.344 50 10 JKGE FC1(F)CCC[C@@H]2[C@H]([C@H](Br)c3ccc(OCc4ccccc4)cc3Br)[C@@H]21 2336040446 FTZQMKBPOQRMSO-GSEOLPGOSA-N 486.194 7.146 50 10 JKGE FC(F)(F)CC1([C@@H](Br)c2ccc(OCc3ccccc3)cc2Br)CCC1 2336054832 VIDAEOLIMWKRBI-SFHVURJKSA-N 492.173 7.587 50 10 JKGE Fc1cc(C[C@H](Br)c2cc(Br)ccc2OCc2ccccc2)ccc1Cl 2336079957 WPHXYFWRERUTNN-SFHVURJKSA-N 498.617 7.499 50 10 JKGE Brc1cc(Br)cc(CO[C@@H]2C[C@H](Br)C23CCCC3)c1 2337098846 PZUWXLYHDYDLJS-UONOGXRCSA-N 453.012 5.824 50 10 JKGE Brc1cc(Br)cc(CO[C@@H](CI)c2ccccc2)c1 2337104622 PWXKJNZUDRAFFE-HNNXBMFYSA-N 495.980 5.905 50 10 JKGE Cc1cc(Br)c(F)c(Br)c1[C@H](Br)[C@]12C[C@H](CCO1)C2 2339686327 YGAPPKSSSAEKRL-ULCPSODYSA-N 456.975 5.664 50 10 JKGE Cc1cc(OCc2ccc(I)c(Br)c2)ccc1CCl 2349805851 IUAKWGNOXCPXDM-UHFFFAOYSA-N 451.529 5.680 50 10 JKGE Cc1ccc(OCc2cc(I)ccc2Cl)c(CBr)n1 2352420884 QOPFEANNEQHGAV-UHFFFAOYSA-N 452.517 5.122 50 10 JKGE FC(F)(F)c1ccc(C[C@@H](Cl)c2sc(Cl)cc2I)cc1 2363892390 SEILEHCRDNOCPP-SECBINFHSA-N 451.078 6.548 50 10 JKGE Cc1cc(Br)c(F)c(Br)c1[C@@H](Br)C[C@@H]1C[C@H]2CC[C@H]1C2 2365179135 NHDMSRSTXSKJRM-BJDJZHNGSA-N 469.030 6.921 50 10 JKGE Cc1cc(Br)c(F)c(Br)c1[C@@H](Br)Cc1cccc(Cl)c1 2365216542 VLNWSXPHFUPWNO-NSHDSACASA-N 485.416 6.991 50 10 JKGE CC[C@]12CO[C@]([C@H](Br)c3c(C)cc(Br)c(F)c3Br)(C1)C2 2365228337 OUDISZNNUUPQPE-KFWWJZLASA-N 471.002 6.054 50 10 JKGE ClC[C@@]12CCC[C@H]1N(Cc1ccc(I)c(Br)c1)CCC2 2377342656 INCQOXRSNZAYCM-CVEARBPZSA-N 468.604 5.427 50 10 JKGE N#C/C(C(=O)Nc1ccccc1)=C1\S[C@@H](Cc2ccc(Cl)c(Cl)c2)C(=O)N1c1ccccc1 2339037 SPHJCYJRVLPWDH-ZUGOUDHMSA-N 494.403 6.058 50 10 JKGE Cc1ccc(CS/C(Nc2ccccc2Cl)=C(\C#N)S(=O)(=O)c2ccccc2)cc1 20325230 LJYWERKCPXQECX-GHVJWSGMSA-N 455.004 6.160 50 10 JKGE Cc1ccc(Cl)cc1N/C(SCc1cccc(F)c1)=C(/C#N)S(=O)(=O)c1ccccc1 20325318 JGYHKQXWUQWCOB-GHVJWSGMSA-N 472.994 6.299 50 10 JKGE N#C/C(=C/c1ccc(N2N=C(c3ccccc3)C[C@@H]2c2ccccc2)cc1)C(=O)NCCc1ccccc1 33568730 PZCGIOMBQNTLOO-MAKYVFJGSA-N 496.614 6.308 50 10 JKGE N#CC1=C(N)Oc2cc(OC(=O)c3cccc4ccccc34)ccc2[C@H]1c1ccc(Cl)c(Cl)c1 38655942 BIYZKVBHZIVVIL-RUZDIDTESA-N 487.342 6.584 50 10 JKGE CCOc1cc(/C=C(/C#N)C(=O)c2ccc(C)cc2)ccc1OC(=O)c1ccc(Cl)c(Cl)c1 98031167 HGZGYSQRFWDSQZ-NDENLUEZSA-N 480.347 6.710 50 10 JKGE Clc1ccccc1CC(CBr)(CBr)c1cccc(Br)c1 118878747 CHGZKSNMMFOEDW-UHFFFAOYSA-N 481.453 6.373 50 10 JKGE Brc1ccccc1[C@H](Br)c1cc(Br)c(Br)s1 128255023 AKCMJZILWANXRV-JTQLQIEISA-N 489.852 6.520 50 10 JKGE CC(C)c1ccc([C@H](Br)c2cc(Br)c(Br)s2)c(C(C)C)c1 128550103 UOGIJHCXCSVGRL-INIZCTEOSA-N 495.118 8.004 50 10 JKGE Cc1cc(Br)c([C@@H](Br)CC[C@@H]2CCCCO2)cc1Br 128760506 KLDDNMFTJYTPDJ-AAEUAGOBSA-N 455.028 6.305 50 10 JKGE CC(C)(C)[Si](Oc1ccc(C(=O)CBr)cc1)(c1ccccc1)c1ccccc1 200709166 NRIJAOBIPGCLOD-UHFFFAOYSA-N 453.452 5.203 50 10 JKGE C[C@H](C[C@@H](CCc1ccc(CCl)cc1)c1ccc(CCl)cc1)c1ccc(CCl)cc1 206548389 QBVHDIKGDQTDMC-NFQMXDRXSA-N 459.888 8.813 50 10 JKGE CCCCOc1ccc(/C=C(/C#N)C(=O)Nc2sc(=S)c3c(c2C#N)CC[C@@H](C)C3)cc1 207209101 PSYJDVMUBHMXHY-OKSBFYSISA-N 463.628 6.199 50 10 JKGE CCOc1ccc(C)cc1[C@H](C)NC(=O)/C(C#N)=C\N(Cc1ccccc1)Cc1ccccc1 217185392 ACIOXSMAVHIJRD-HVBJHMBASA-N 453.586 5.681 50 10 JKGE COc1ccc(Br)cc1[C@@H](Cl)c1ccc(I)c(Cl)c1 232341117 BQLGEJPNRLRWGM-AWEZNQCLSA-N 471.947 6.044 50 10 JKGE Cl[C@@H](c1ccc(Br)cc1Br)c1csc2c(Br)cccc12 236032979 PCGWZHMUSYAQLD-AWEZNQCLSA-N 495.461 7.517 50 10 JKGE Fc1cc(F)c([C@H](Br)c2cc(Br)cc(Br)c2)cc1F 236255877 VBLDBIOCIXDNKV-CYBMUJFWSA-N 458.897 6.113 50 10 JKGE Cc1c(C=NNC(=O)C(O)(c2ccccc2)c2ccccc2)c2ccccc2n1Cc1ccccc1 254611175 SJGOQLRFPSBCQO-UHFFFAOYSA-N 473.576 5.384 50 10 JKGE C#CCOc1cc(Br)c(C=NNC(=O)c2cc3c(ccc4ccccc43)o2)cc1OC 254667780 INIOHBVZULVKET-UHFFFAOYSA-N 477.314 5.133 50 10 JKGE Cc1ccc(-c2nnc(SCC(=O)NN=C/C(Cl)=C\c3ccccc3)n2-c2ccccc2)cc1 254845919 UKZPOMTVTLEILD-FIGCKISGSA-N 488.016 5.717 50 10 JKGE CC(C)(C)OC(=O)N1CCC(CBr)(OCc2ccc(Br)cc2)CC1 303741447 NJRMFYSKRNPEBF-UHFFFAOYSA-N 463.210 5.130 50 10 JKGE Clc1ccc([C@@H](Cl)c2cc(I)cc3c2OCC3)c(Br)c1 380011331 RMNYCQMPLHMZHA-CQSZACIVSA-N 483.958 5.970 50 10 JKGE CC1(C)C(=O)Nc2ccc([C@H](Br)c3sccc3I)cc21 380752978 WANWMDVIMMAWDF-LBPRGKRZSA-N 462.150 5.067 50 10 JKGE CCCOc1ccc([C@@H](Br)c2coc(Br)c2)cc1Br 380931822 VKBXKPRKJOVXTH-CQSZACIVSA-N 452.968 6.078 50 10 JKGE COc1cc(Cl)ccc1[C@H]1CN(C(=O)OCc2ccccc2)C[C@H]1CI 382716634 KXSYXDMIVGPIKI-QAPCUYQASA-N 485.749 5.136 50 10 JKGE CC(C)(C)[Si](C)(C)OCCc1ccccc1[C@@H]1CCc2ccccc2N1Cc1ccccc1 616592285 CWGFIIPAWWOESW-LJAQVGFWSA-N 457.734 7.945 50 10 JKGE CC(C)(C)[Si](C)(C)OCCc1ccc([C@H]2CCCCCN2CCO[Si](C)(C)C(C)(C)C)cc1 616606051 WXKLPNADZMTUAN-AREMUKBSSA-N 491.909 8.190 50 10 JKGE CC(C)(C)OC(=O)NCCN1CCO[C@H](c2ccc(CO[Si](C)(C)C(C)(C)C)cc2)C1 616647857 JJDOWTULBCGKGR-NRFANRHFSA-N 450.696 5.106 50 10 JKGE Fc1cccc(CC(CBr)(CBr)C2CCOCC2)c1Br 696859321 VCEXUGLDMHKFHD-UHFFFAOYSA-N 473.018 5.334 50 10 JKGE CC(C)n1ccnc1COc1c(Br)cc(CBr)cc1Br 699588224 NZCCQJXRDYLZTJ-UHFFFAOYSA-N 466.999 5.463 50 10 JKGE Cc1ccc([C@@H](Br)c2sc(C)c(Br)c2C)c(Br)c1 724929771 YUFKACXUCVPUCU-CYBMUJFWSA-N 453.037 6.683 50 10 JKGE FC(F)(F)Sc1c(CBr)sc2cc(I)ccc12 725283667 JPNLMJXVZAGHDJ-UHFFFAOYSA-N 453.086 6.013 50 10 JKGE O=C(Nc1ccccc1C(=O)NN=Cc1ccc(OCc2ccccc2Cl)cc1)c1ccco1 1084047895 OQQCHLHERYGLIE-UHFFFAOYSA-N 473.916 5.528 50 10 JKGE CCOc1ccc(NC(=O)/C(C#N)=C\c2cc(Cl)ccc2OCc2ccccc2F)cc1 1084141192 YTMIPRZWARINAX-UYRXBGFRSA-N 450.897 6.002 50 10 JKGE COc1cccc(/C=C(/C#N)C(=O)Nc2cccc(Cl)c2)c1OCc1ccc(Br)cc1 1084578477 AHZFASBDCNMWBC-PDGQHHTCSA-N 497.776 6.236 50 10 JKGE ClCC1=C(COc2ccc(Cl)cc2)[C@@]2(Cl)C(Cl)=C(Cl)[C@@]1(Cl)C2(Cl)Cl 1615945815 VPIMXKWLJSMIHH-ZIAGYGMSSA-N 487.852 7.100 50 10 JKGE CCn1c2ccccc2c2cc(NC(=O)c3oc4c(c3C)C(=NNC(N)=O)CC(C)(C)C4)ccc21 1772729523 SFHFXUFNJCBRNP-UHFFFAOYSA-N 471.561 5.313 50 10 JKGE Cc1cc(C)cc(NC(=O)c2oc3c(c2C)C(=NNC(=O)c2ccccc2Br)CCC3)c1 1772744550 WSFYXJUJTQUXGK-UHFFFAOYSA-N 494.389 5.690 50 10 JKGE CCc1ccc(OC(=O)c2oc3c(c2C)C(=NNC(=O)c2ccc(Br)cc2)CCC3)cc1 1772744556 FMJRPAHSKGHYPX-UHFFFAOYSA-N 495.373 5.603 50 10 JKGE COc1cccc(NC(=O)c2oc3c(c2C)C(=NNC(=O)Cc2coc4cc(C)cc(C)c24)CCC3)c1 1772751877 OUISMWRHWSSPAM-UHFFFAOYSA-N 499.567 5.611 50 10 JKGE COc1cc(C=NNC(=O)COc2cccc(Cl)c2)ccc1OCc1ccccc1Cl 1772752852 MBCHIROOVBALBQ-UHFFFAOYSA-N 459.329 5.110 50 10 JKGE CCOc1ccc(Br)cc1C=NNC(=O)COc1ccc(Br)cc1C(C)C 1772755816 SYAVYDHOPUNOGT-UHFFFAOYSA-N 498.215 5.263 50 10 JKGE O=C(NNC(=O)c1ccc(-c2ccc3ccccc3c2)s1)c1ccc(I)cc1 1860391928 YHEBGWAQPLCTQD-UHFFFAOYSA-N 498.345 5.248 50 10 JKGE N#CC1=C(N)Oc2c(c(C(F)(F)F)nn2Cc2ccccc2F)[C@@H]1c1cccc2ccccc12 1865682397 NQKGYVKJCXFRSB-HXUWFJFHSA-N 464.422 5.461 50 10 JKGE CCCc1nn(Cc2cccc(Cl)c2)c2c1[C@H](c1ccc(Cl)c(Cl)c1)C(C#N)=C(N)O2 1865685158 GGNSCHOUEITBEI-HXUWFJFHSA-N 473.791 6.062 50 10 JKGE CCOc1ccc([C@H]2C(C#N)=C(N)Oc3c2c(CC)nn3Cc2ccc(Cl)cc2)cc1OCC 1865688807 BFRLVABULOVBGX-QHCPKHFHSA-N 478.980 5.163 50 10 JKGE CCCc1nn(Cc2ccc(F)cc2)c2c1[C@H](c1ccc(Br)cc1)C(C#N)=C(N)O2 1865714513 MDMWTXFOAKCPSJ-HXUWFJFHSA-N 467.342 5.004 50 10 JKGE Cc1nc(-c2ccc(Cl)cc2Cl)ccc1C(=O)NNC(=O)c1ccc(Cl)c(Cl)c1 1865759555 GMJMFTPLDSZOAP-UHFFFAOYSA-N 469.155 5.745 50 10 JKGE CCc1nc(Nc2ccc(SC#N)cc2)cc(N2CCC(c3nc(C)c(C)s3)CC2)n1 1868277679 DQLJNISPZQQQBF-UHFFFAOYSA-N 450.637 5.813 50 10 JKGE CCc1ccc(-c2csc(/C(C#N)=C(\O)CCCOc3cc(C)c(Cl)c(C)c3)n2)cc1 1872744538 XEYRUBYFIFEYCX-LNVKXUELSA-N 453.007 7.295 50 10 JKGE CCCCc1ccc(N2C[C@H](/C(O)=C(\C#N)c3nc(-c4ccc([N+](=O)[O-])cc4)cs3)CC2=O)cc1 1872747224 SWMGFEADOADADH-IPQBESIJSA-N 488.569 5.907 50 10 JKGE COC(=O)c1ccccc1N1C[C@@H](/C(O)=C(\C#N)c2nc(-c3ccc(C)cc3C)cs2)CC1=O 1872748526 BJDWEFNWQBGOOL-DJUDNFEDSA-N 473.554 5.059 50 10 JKGE COc1cc(/C=C/C(O)=C(\C#N)c2nc(-c3cccc4ccccc34)cs2)ccc1OC(C)=O 1872752274 UVHADMOSWYRZHM-HYGMHYJRSA-N 468.534 6.403 50 10 JKGE CCCOc1ccc(-c2csc(/C(C#N)=C(\O)COc3cccc(C)c3C)n2)cc1OCCC 1872818348 YENBIQLBWRRCEW-LNVKXUELSA-N 478.614 6.876 50 10 JKGE COc1cc(C)c([C@H](Cl)c2scc(Br)c2Br)cc1Br 1901653290 JZNCKTXANKAOCR-LBPRGKRZSA-N 489.454 6.681 50 10 JKGE C[C@H](CCBr)N(Cc1ccccc1)C(=O)c1cccc(I)c1 1915113517 BEBRLLPOBHEDEP-CQSZACIVSA-N 472.164 5.107 50 10 JKGE CC(C)[C@H](CBr)N(Cc1ccccc1)S(=O)(=O)c1cc(Cl)sc1Cl 1915292134 WBMFFYIWXZNZJP-ZDUSSCGKSA-N 471.269 5.665 50 10 JKGE CC(C)[C@@H](CBr)N(Cc1ccccc1)C(=O)c1cccc(Br)c1Cl 1915298645 VXWWVMDEZBRDCT-QGZVFWFLSA-N 473.636 6.164 50 10 JKGE COc1cccc(Br)c1C(=O)N(Cc1ccccc1)[C@@H](CBr)C(C)C 1915302102 LIXJSJAPGHODJP-KRWDZBQOSA-N 469.217 5.520 50 10 JKGE Cc1c(Br)sc([C@H](Br)[C@@H]2C[C@H]3CCCC[C@@H]32)c1Br 1922931009 YFSQSBKZVUKBHY-DTHBNOIPSA-N 457.069 6.844 50 10 JKGE Brc1cc(Br)c([C@@H](Br)c2cc3ccccc3s2)s1 1922946579 SQBSYOAZYUANMU-LBPRGKRZSA-N 467.045 6.972 50 10 JKGE Clc1c(Br)sc(Br)c1[C@H](Br)[C@@]12CCC[C@@H]1OCC2 1923062649 RPWPGPHVZNYHTF-ZKQGETEISA-N 479.459 6.322 50 10 JKGE Brc1sc(Br)c([C@@H](Br)c2ccccc2)c1Br 1924575444 AFPZQNNEDKXPAF-QMMMGPOBSA-N 489.852 6.520 50 10 JKGE CC(C)(C)C[C@H](Br)c1c(Br)sc(Br)c1Br 1924577262 ZGPOOKIWNYSNHY-YFKPBYRVSA-N 483.889 6.908 50 10 JKGE CC1(C)CO[C@@H](C[C@H](Cl)c2c(Br)sc(Br)c2Br)C1 1924613506 JEECRCBQGSDQJD-BQBZGAKWSA-N 481.475 6.521 50 10 JKGE Clc1c(Br)cccc1[C@@H](Br)Cc1ncccc1Br 1924862205 UTIAVLOFPMTVLX-NSHDSACASA-N 454.387 5.939 50 10 JKGE Fc1cccc([C@@H](Br)c2c(Cl)sc(Cl)c2Cl)c1Br 1925587043 GFIPZPIRRNJYSI-MRVPVSSYSA-N 453.385 7.094 50 10 JKGE CCn1ncc(Br)c1[C@@H](Br)c1cc(Br)c(Cl)s1 1945453937 HKDKIHBDLKTBTR-QMMMGPOBSA-N 463.420 5.627 50 10 JKGE CN[C@H](c1c(Br)sc(Br)c1Br)C1CC(Br)C1 1991410919 MJNULYAAKPPPBV-YXFGPURMSA-N 496.888 5.470 50 10 JKGE N[C@H](c1c(Br)c(Br)cc(Br)c1Br)[C@H]1C[C@H]1Cl 1995046813 IGARJQMDOIHGHY-XQKIPNJGSA-N 497.250 5.364 50 10 JKGE ClC[C@H](C1CC1)N(Cc1ccccc1)Cc1ccc(I)c(Cl)c1 1995479116 MASYBVKHCQVFKV-LJQANCHMSA-N 460.186 5.964 50 10 JKGE CS(=O)(=O)c1sccc1[C@H](Br)c1cc(Br)c(Br)s1 2033136060 OUFGKVKCQAAJHX-QMMMGPOBSA-N 495.077 5.222 50 10 JKGE Cl[C@@H](c1c(Br)sc(Br)c1Br)[C@@H]1[C@H]2CCCCC[C@H]21 2048341138 YXALOONRNQXYQN-OFHVYEONSA-N 477.487 7.142 50 10 JKGE Cc1cc([C@H](Cl)c2c(Cl)sc(Br)c2Cl)ccc1I 2086024395 UPPGMSYHCYYAEQ-VIFPVBQESA-N 496.422 7.059 50 10 JKGE Brc1ccc(CN2CC[C@@H]3C[C@@H](Br)CC[C@@H]32)c(Br)c1 2092262065 WHHJJNQLDZBQDG-GMXABZIVSA-N 452.028 5.350 50 10 JKGE FC1(F)CCN(Cc2ccc(Br)cc2Br)CC[C@@H]1Br 2093611157 QPBNCKNIDRUREU-LBPRGKRZSA-N 461.970 5.206 50 10 JKGE Clc1cccc(CBr)c1OCc1c(Br)cccc1Br 2094090080 DCVZCLFFYXXTRN-UHFFFAOYSA-N 469.398 6.339 50 10 JKGE COc1cc(C)c(Br)cc1[C@H](Br)c1cc(Br)sc1C 2095699786 RVTHXEONSUUIPN-CQSZACIVSA-N 469.036 6.383 50 10 JKGE Cc1c(Br)sc([C@H](Br)[C@@H]2CC[C@@]3(C2)CC3(F)F)c1Br 2099915054 JQTHJLLERDYUJH-JWKOBGCHSA-N 479.022 6.843 50 10 JKGE Cc1ccc([C@@H](Br)c2nn(C)c(Cl)c2Br)c(C)c1Br 2110731985 ZEYPEAUGXJQYOL-SNVBAGLBSA-N 471.418 5.700 50 10 JKGE C[C@H](CBr)[C@@H]1CCCCN1Cc1cc(Br)ccc1Br 2118518871 DFQWYDYWQISITG-ABAIWWIYSA-N 454.044 5.597 50 10 JKGE CO[C@@H]1CC[C@H](C(CBr)(CBr)c2ccccc2Br)C1 2130621229 OHHFVZWOLYYNHG-NWDGAFQWSA-N 455.028 5.292 50 10 JKGE CN(c1ccc(CBr)cc1Br)[C@@H]1C[C@@H]2C[C@H](OCc3ccccc3)C[C@@H]21 2134012597 CQXXITDOJQNBMR-ZVVDCOBXSA-N 479.256 6.164 50 10 JKGE Cc1cc(Br)c(C)c([C@H](Br)C[C@H]2CCO[C@@H]2C)c1Br 2136381569 IYOQPQHJSQDHGJ-NQBHXWOUSA-N 455.028 6.080 50 10 JKGE CC1(C)CCN(C(=O)c2cccc(Br)c2Br)C[C@@H]1CBr 2148755182 XOSXUCSYJNILEC-JTQLQIEISA-N 468.027 5.095 50 10 JKGE COc1c(C)cc(Br)c(C)c1[C@@H](Br)c1scc(Cl)c1Cl 2152521543 AREHTUZPSMSWSJ-LLVKDONJSA-N 459.030 6.927 50 10 JKGE Cn1nc(COc2c(F)cc(Br)cc2CBr)c(Br)c1Cl 2152999787 JPYGRJBDVJFVGF-UHFFFAOYSA-N 491.380 5.212 50 10 JKGE Cc1c(Cl)cc(CC(CBr)(CBr)C2CCCC2)cc1Br 2167382507 GXZWEJZCVCFZAC-UHFFFAOYSA-N 487.501 6.920 50 10 JKGE Brc1cccc(Br)c1CN1C[C@H](Br)C2(CCCCC2)C1 2174373283 GYZUUAPDIUCSTF-HNNXBMFYSA-N 466.055 5.741 50 10 JKGE Cc1ccc(C[C@H](CBr)Cc2cc(Br)ccc2Br)cc1 2175148588 ZTRAVBFNFUWRDQ-AWEZNQCLSA-N 461.035 6.316 50 10 JKGE C[C@@H]1C[C@H](C(F)(F)F)N(C[C@@H](CBr)CC2CC2)CCN1C(=O)OC(C)(C)C 2178263882 LKDBTCGODZCZTA-FVQBIDKESA-N 457.375 5.060 50 10 JKGE Cc1cc(Br)c(C)c([C@H](Br)[C@@H]2C[C@H](C)O[C@H](C)C2)c1Br 2201066371 ZRRSLLZHBHJQJH-XPQXIITISA-N 469.055 6.468 50 10 JKGE Cc1cc(Br)c(C)c([C@H](Cl)c2ccc(Cl)c(Cl)c2)c1Br 2201080409 YAVFYOBYEKUQTC-OAHLLOKOSA-N 457.420 7.463 50 10 JKGE COc1cc(Cl)c([C@H](Br)c2cccc(Br)c2F)cc1Br 2202350883 GOIWTSHQLGSADQ-CYBMUJFWSA-N 487.388 6.497 50 10 JKGE COC[C@]12C[C@]([C@H](Br)c3ccc(Br)c(C)c3Br)(CO1)C2 2206073718 KQODWVZVODYGDC-RBSFLKMASA-N 469.011 5.152 50 10 JKGE Cc1cc(Br)c([C@H](Br)c2sncc2Br)c(C)c1Cl 2217610734 LUUMZALXYNJTOT-JTQLQIEISA-N 474.443 6.423 50 10 JKGE Cc1nc([C@@H](Cl)c2cc(Br)c(Br)cc2F)c(Br)s1 2218596486 FNBPKESNAHHDSA-VIFPVBQESA-N 478.406 6.206 50 10 JKGE CC1(C)CO[C@H]([C@H](Br)c2c(Br)cc(Cl)c(Cl)c2Cl)C1 2224303779 BNBCVYNHEAGQJE-WPRPVWTQSA-N 451.413 6.660 50 10 JKGE C[C@@H](Cl)c1nc2cc(Br)c(Br)cc2n1[C@H]1CCN(Cc2ccccc2)C1 2225687000 LYZVCYCXNRSZPD-HIFRSBDPSA-N 497.662 6.308 50 10 JKGE ClCc1nc2cc(Br)c(Br)cc2n1C[C@H]1CCN(Cc2ccccc2)C1 2225702442 QGLNICQJURFOTM-HNNXBMFYSA-N 497.662 5.822 50 10 JKGE COc1cc([C@H](Br)c2sccc2I)c(OC)cc1C 2228536952 CWTFLGZEYMDUBU-ZDUSSCGKSA-N 453.139 5.163 50 10 JKGE Cc1cc(Br)c([C@H](Br)c2c(Br)cc(F)c(F)c2F)s1 2229329943 OATLFBXYGFEZII-SECBINFHSA-N 478.953 6.483 50 10 JKGE Cc1ccc([C@H](Br)c2sc(Br)c(C)c2Br)c(F)c1F 2231339944 GYMDYZHOUPSSFL-VIFPVBQESA-N 474.990 6.652 50 10 JKGE Cc1cccc(C)c1[C@H](Br)c1c(Br)cc(Cl)c(Cl)c1Cl 2232508608 AENICRASLJTNFW-ZDUSSCGKSA-N 457.420 7.510 50 10 JKGE Brc1ccc([C@@H](Br)Cc2cc(Br)nn2CC2CC2)cc1 2233302341 HHQVZPSEPHXGDF-AWEZNQCLSA-N 463.011 5.497 50 10 JKGE COc1cc(Br)c([C@H](Br)c2c(Br)c(C)nn2C)cc1C 2236014804 NHVRCIHTODPYOS-ZDUSSCGKSA-N 466.999 5.055 50 10 JKGE CCOc1ccc(Br)cc1[C@@H](Br)c1sc(C)c(C)c1Br 2237628988 CKDXQLQYBZBFPM-CQSZACIVSA-N 483.063 6.773 50 10 JKGE COc1cc(F)c([C@H](Cl)c2cc(C)ccc2I)cc1Br 2241003034 YLRFECXMCFHIKY-HNNXBMFYSA-N 469.519 5.838 50 10 JKGE Fc1cccc(I)c1[C@H](Cl)c1sc(Cl)cc1Br 2247990371 SLXOTVFUQKHXIF-JTQLQIEISA-N 465.940 6.236 50 10 JKGE Cc1sc([C@@H](Br)c2cccc(Br)c2C)c(Br)c1C 2253473606 SUTNNQYRZVIOHB-ZDUSSCGKSA-N 453.037 6.683 50 10 JKGE COc1cc(Cl)c(Cl)cc1[C@@H](Cl)c1csc(Br)c1Br 2264369352 WFBPAYBYRQAVKS-LLVKDONJSA-N 465.421 6.917 50 10 JKGE Cc1c(Br)ccc([C@H](Br)C[C@@H]2CCCC23CC3)c1Br 2266619913 DYWDGNZLYMVISB-SMDDNHRTSA-N 451.040 6.926 50 10 JKGE C=CC[C@]1(CBr)CCCN(c2ncc(Br)cc2Br)C1 2272107559 DLCKLPJDTFLLNZ-CQSZACIVSA-N 453.016 5.164 50 10 JKGE Fc1cc(Br)c(F)c(Br)c1[C@H](Br)C[C@@H]1CC[C@@H]2C[C@H]12 2272729437 QASPEBGGAFACDA-RYPBNFRJSA-N 458.966 6.362 50 10 JKGE COc1ccc([C@@H](Cl)c2cc(Br)ccc2Cl)c(Br)c1Cl 2283556316 XOOXPBGCQBDKCH-CYBMUJFWSA-N 459.392 6.855 50 10 JKGE COc1ccc([C@@H](Br)c2c(F)ccc(F)c2F)cc1I 2285001202 WUFDCBUBMBJVJJ-CYBMUJFWSA-N 457.027 5.201 50 10 JKGE COc1cc(C)c(Br)c(C)c1[C@@H](Br)c1sc(C)cc1Br 2285066833 CFTMGHGGJUFAIV-CQSZACIVSA-N 483.063 6.691 50 10 JKGE Fc1cc(Br)c(F)c(Br)c1[C@H](Br)[C@@H]1[C@@H]2CCC(F)(F)[C@H]21 2288484275 QZIDBFPFIUNXIB-JXXIRVJCSA-N 480.919 6.217 50 10 JKGE CS(=O)(=O)c1cscc1[C@H](Br)Cc1ccc(Br)cc1Cl 2288528704 HHCFXNOTNMCJNH-LLVKDONJSA-N 458.624 5.246 50 10 JKGE COc1cc(C=C(C#N)c2nc3cc(C)c(C)cc3[nH]2)ccc1OCC(=O)Nc1ccccc1C 2294244531 UOILOOLLLKJFIK-UHFFFAOYSA-N 466.541 5.578 50 10 JKGE COc1cc(OC)c([C@H](Br)c2cc(C)c(Br)s2)cc1Br 2295431657 YTSZFYMRCABEIA-ZDUSSCGKSA-N 485.035 6.083 50 10 JKGE COc1ccc(C=C(C#N)C(=O)Nc2cc(Cl)cc(Cl)c2)cc1OC(=O)c1ccccc1 2295459680 MRCKGJSGOSWWTQ-UHFFFAOYSA-N 467.308 5.767 50 10 JKGE Cc1ccc(-c2nn(-c3ccccc3)cc2C=C(C#N)C(=O)N=c2[nH]onc2-c2ccc(C)cc2)cc1 2295852247 ZSVQBEKLYDEVEO-UHFFFAOYSA-N 486.535 5.174 50 10 JKGE Cc1cc(=O)oc2cc(NC=C(C#N)c3nc(-c4ccc(Cl)c(Cl)c4)cs3)ccc12 2295945633 FTXPOTNQFWUFGF-UHFFFAOYSA-N 454.338 6.508 50 10 JKGE N#CC(C(=O)Nc1ccc(F)cc1)=C1S[C@@H](Cc2ccc(Cl)cc2)C(=O)N1c1ccc(F)cc1 2296627814 BHCBUUPKWNRUKL-QFIPXVFZSA-N 495.938 5.683 50 10 JKGE FC1CCC([C@H](Br)c2cc(Br)ccc2OCc2ccccc2)CC1 2299504379 MSIXAKMZLWZZEM-LAGYLCCXSA-N 456.193 6.992 50 10 JKGE Cc1ccc(NC(=O)C(C#N)=Cc2cc(Br)ccc2OCc2ccccc2Cl)c(C)c1 2313667864 WXEUUYXTFQEBCT-UHFFFAOYSA-N 495.804 6.844 50 10 JKGE Brc1ccc(OCc2ccccc2)c([C@H](Br)[C@@H]2OC[C@@H]3CCC[C@H]32)c1 2314443002 DSKRBROVGQZFNT-APMMZXSISA-N 466.213 6.279 50 10 JKGE N#CC(=Cc1ccc(-c2ccc(Cl)c(Cl)c2)o1)c1nc(-c2ccc3ccccc3c2)cs1 2314456846 BXYJAPAVWKWGBL-UHFFFAOYSA-N 473.384 8.594 50 10 JKGE N#CC(=Cc1ccc(-c2cccc(C(F)(F)F)c2)o1)c1nc(O)c2c3c(sc2n1)CCCC3 2314456927 JNDPJODIOFYGQT-UHFFFAOYSA-N 467.472 6.619 50 10 JKGE Cc1cccn2c(=O)c(C=C(C#N)C(=O)Nc3ccccc3Cl)c(Oc3ccc(Cl)cc3)nc12 2314531891 FPGTUHXILFJPLG-UHFFFAOYSA-N 491.334 5.648 50 10 JKGE C=CCNC(=O)C(C#N)=C1S[C@H](Cc2cc(Cl)cc(Cl)c2)C(=O)N1c1ccc(C)c(C)c1 2314594102 ZBEWFJHILZJEBK-OAQYLSRUSA-N 486.424 5.339 50 10 JKGE CCOc1cccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)C=Cc4ccccc4Cl)ccc32)c1 2314634830 RPIRGVHWROBTBG-SANMLTNESA-N 472.928 5.576 50 10 JKGE Fc1c(Br)cc(Cl)c([C@H](Br)C[C@@H]2CCOC2)c1Br 2315437313 VWYAVOVKKIRYFA-NKWVEPMBSA-N 465.382 5.867 50 10 JKGE CC12CC(C1)[C@@H]([C@H](Br)c1ccc(OCc3ccccc3)cc1Br)CO2 2315920136 SJMDQUXIWXKVHJ-HZELDEKMSA-N 466.213 6.279 50 10 JKGE COc1ccc(C(C#N)=Cc2ccc(OC(=O)c3ccc(Br)o3)cc2)cc1OC 2320507197 CZXDLUBCIFSGBJ-UHFFFAOYSA-N 454.276 5.343 50 10 JKGE BrC[C@H](COCc1ccc(I)c(Br)c1)C1CCC1 2325385957 HUIKHCFYIQYKAB-GFCCVEGCSA-N 488.001 5.382 50 10 JKGE CC(C)[C@H](C(O)=C(C#N)c1nc(-c2ccc(Cl)cc2Cl)cs1)N1C(=O)c2ccccc2C1=O 2331251518 WUAXSVDJJAOYOF-HXUWFJFHSA-N 498.391 6.230 50 10 JKGE COc1ccccc1-c1csc(C(C#N)=C(O)C(=Cc2ccc(OC(C)C)cc2)c2ccccc2)n1 2331281976 OEUMZBZURIRMAS-UHFFFAOYSA-N 494.616 7.639 50 10 JKGE CCCCc1ccc(N2C[C@@H](C(O)=C(C#N)c3nc(-c4ccc(C)cc4)cs3)CC2=O)cc1 2331312355 LEQIGKCOKQICRO-NRFANRHFSA-N 457.599 6.307 50 10 JKGE C[C@H](Oc1ccc(Cl)cc1)C(O)=C(C#N)c1nc(-c2ccc(Oc3ccccc3)cc2)cs1 2331359089 ZXEXWDJTRQGURD-KRWDZBQOSA-N 474.969 7.516 50 10 JKGE CCCCOc1ccc(C=C(C#N)c2nc(-c3cc(Cl)c(OC)cc3OC)cs2)cc1 2331471817 IWILCWKMYXFWRS-UHFFFAOYSA-N 454.979 6.724 50 10 JKGE C[C@@H]1Cc2cc([C@H](Br)c3cnsc3Br)cc(Br)c2O1 2337306069 OPGUWHVOPSDKEZ-KBUNVGBDSA-N 468.008 5.476 50 10 JKGE COc1c(Br)cc(C)c([C@H](Br)[C@@]23CCC[C@@H]2C3)c1Br 2339654216 QHGGZZQKXPJYKI-TURNYIBQSA-N 453.012 6.155 50 10 JKGE COc1c(Br)cc(C)c([C@H](Br)[C@]23C[C@H]2[C@H](C)C3)c1Br 2339657102 UWNFIJQRMJGGES-UTBFZLOTSA-N 453.012 6.011 50 10 JKGE FC1(F)CC[C@H](Br)[C@@H](Cc2ccc(Cl)cc2I)CC1 2341027606 LZFZYSYBZOGBHA-SKDRFNHKSA-N 463.531 6.076 50 10 JKGE Cc1scc([C@@H](Cl)c2c(F)cc(Br)c(F)c2Br)c1Br 2343563075 HPFXIUQJRIFPAH-LLVKDONJSA-N 495.408 6.950 50 10 JKGE Cc1ccc(OCc2cc(I)ccc2Cl)c(CBr)c1 2352349472 AOOUBUVQTVTDFJ-UHFFFAOYSA-N 451.529 5.727 50 10 JKGE CCc1ccc([C@@H](Br)c2c(Br)c(Br)nn2C)cc1CC 2364228846 RQVOSJBRIYQFCX-GFCCVEGCSA-N 465.027 5.554 50 10 JKGE COCc1csc([C@H](Br)c2c(C)cc(Br)c(F)c2Br)c1 2365217614 GKPXXRRVUQLQIQ-LBPRGKRZSA-N 487.026 6.351 50 10 JKGE COc1c(Br)cc(C)c([C@@H](Br)C23CC(C2)[C@@H](C)O3)c1Br 2365217833 HVIBROQOEMFURE-NOKNRGOQSA-N 469.011 5.532 50 10 JKGE CC1(C)CC[C@@H](CC(CBr)(CBr)c2ccccc2Br)C1 2367694483 ZQVFIFKUNPAUFN-CYBMUJFWSA-N 467.083 6.693 50 10 JKGE CCN(C[C@@](C)(CI)O[C@@H]1CCCCC12CCOCC2)C(=O)OC(C)(C)C 2368372721 UQDRNPRCUBFYGF-YLJYHZDGSA-N 495.442 5.193 50 10 JKGE BrCC1C[C@@H]2C[C@H](C1)CN(Cc1c(Br)cccc1Br)C2 2368381191 KQEQEBMWVLEBHE-YHWZYXNKSA-N 466.055 5.455 50 10 JKGE O=C(c1cc(Br)sc1Br)N1CCC[C@@H](Br)[C@@H]1C(F)(F)F 2370243900 WAKNDKHGGYGYGC-HTRCEHHLSA-N 499.972 5.204 50 10 JKGE Cc1ccc(CBr)c(OCCc2ccc(Br)cn2)c1Br 2381139100 RWLUMNPLBQJTQM-UHFFFAOYSA-N 463.995 5.431 50 10 JKGE Cc1cccc(/C=N/NC(=O)COc2ccc3cc(Br)ccc3c2Br)c1 12491338 XXLOQAQXPLIBFL-FOKLQQMPSA-N 476.168 5.202 50 10 JKGE Cc1cccc(C)c1O[C@H](C)C(=O)NNC(=O)c1ccc(NC(=O)c2ccc(C(C)(C)C)cc2)cc1 14639332 JMAOACZFPQYHSL-HXUWFJFHSA-N 487.600 5.082 50 10 JKGE CCOC(=O)/C(C#N)=C1/S[C@H](Cc2ccc(Cl)c(Cl)c2)C(=O)N1c1ccc(F)cc1 34890912 RXSDVIRMXYPBNU-KETZHDHUSA-N 465.333 5.122 50 10 JKGE COc1cc(/C=C(/C#N)C(=O)Nc2ccc([N+](=O)[O-])cc2)cc(Cl)c1OCc1ccccc1Cl 35374769 AQJDOLYQWOQEJZ-YVLHZVERSA-N 498.322 6.035 50 10 JKGE CCCCOc1ccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4cccc(C)c4)ccc32)cc1 38650745 KABDVIFHBAWNLU-AREMUKBSSA-N 454.526 5.611 50 10 JKGE Cc1c(C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@H]3c2ccc(F)cc2)oc2ccc(F)cc12 38688088 VOAFNHAYVBJOQH-QHCPKHFHSA-N 458.420 5.457 50 10 JKGE CCOC(=O)c1ccc(NC(=O)/C(C#N)=C/c2ccc(-c3cc(C(F)(F)F)ccc3Cl)o2)cc1 39884905 ZBTUCJWYXZEDDX-RVDMUPIBSA-N 488.849 6.341 50 10 JKGE CCCOc1ccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4oc5ccc(F)cc5c4C)ccc32)cc1 40530408 JWPKCGVYPZOBMP-SANMLTNESA-N 498.510 6.107 50 10 JKGE Cc1cccnc1NC(=O)c1oc2c(c1C)/C(=N/NC(=O)C(c1ccccc1)c1ccccc1)CCC2 40815433 PNXKOBKVWFHOKL-GZZLJNBRSA-N 492.579 5.532 50 10 JKGE COc1cc(/C=N/NC(=O)COc2ccc(Cl)cc2Cl)ccc1OCCc1ccccc1 40911647 ODWZRMQKFPULMG-JFLMPSFJSA-N 473.356 5.153 50 10 JKGE CCCOc1ccc(/C=C(\C#N)C(=O)Nc2scc(-c3ccc(CC)cc3)c2C(=O)OC)cc1 40939455 YJYFLEJDDSQTTJ-RCCKNPSSSA-N 474.582 6.099 50 10 JKGE COc1cc(/C=N\NC(=O)CC[C@H](O)c2ccccc2)ccc1OCc1cccc2ccccc12 58889713 URIPJNRMRZHCJG-UAWDSHSBSA-N 468.553 5.391 50 10 JKGE Cc1cccc(-n2c(C)cc(/C=C(/C#N)C(=O)N3CCN(c4cc(Cl)ccc4C)CC3)c2C)c1 96600691 VUQXJWMCXARHNR-JLPGSUDCSA-N 473.020 5.620 50 10 JKGE Cc1cccc(N/C=C(\C#N)c2nc(-c3cc4cc(Br)ccc4oc3=O)cs2)c1C 100146705 CUADWWJSFDFEHF-LFIBNONCSA-N 478.371 6.272 50 10 JKGE CCOc1ccc(N2C(=O)[C@H](Cc3ccc(C)cc3)S/C2=C(/C#N)C(=O)Nc2ccc(C)cc2)cc1 101246205 CIWBLTIYEIRNNZ-HFVAWESISA-N 497.620 5.767 50 10 JKGE Brc1ccc([C@@H](Br)c2cc3c(cc2Br)OCCO3)cc1 109865524 PPTKVVFIAZCOKL-OAHLLOKOSA-N 462.963 5.467 50 10 JKGE CCOc1cc(Cl)c([C@H](Br)c2ccc(Br)s2)cc1OCC 109866044 YAWPXBVPVPNASP-HNNXBMFYSA-N 454.611 6.446 50 10 JKGE Cc1ccc(Br)c([C@H](Br)c2cc(F)c(Br)cc2F)c1 169092122 NHDAXYMADVHBTD-AWEZNQCLSA-N 454.934 6.283 50 10 JKGE CCOc1cc(/C=N\NC(=O)c2ccc(O)cc2)ccc1OCc1ccc(Cl)cc1Cl 169886396 XNGKQSKOAPHSJR-ZMFRSBBQSA-N 459.329 5.441 50 10 JKGE CCC[C@@H](O[Si](C)(C)C)C(c1ccc(C)cc1)(n1nnc2ccccc21)n1nnc2ccccc21 195802949 PJFWGSNSUJFLSX-AREMUKBSSA-N 484.680 5.754 50 10 JKGE CCCCOc1ccccc1[C@@H]1C(C#N)=C(N)Oc2cc(OC(=O)/C=C\c3ccc(C)cc3)ccc21 205655596 QZZYBNJDCRRIBH-GZZSIDQHSA-N 480.564 6.011 50 10 JKGE COc1cc(/C=C(/C#N)C(=O)NCc2ccco2)ccc1OC(=O)CCc1ccc(C(C)C)cc1 207164388 XJFTWONFMHHAJH-HAHDFKILSA-N 472.541 5.173 50 10 JKGE N#C/C(=C/N(Cc1ccccc1)Cc1ccccc1)C(=O)NC(c1ccccc1)c1ccccc1 216976398 CBOQHJXMBYGYNC-OLFWJLLRSA-N 457.577 6.002 50 10 JKGE CCOc1ccc(CCN/C=C(/C#N)C(=O)N[C@@H](CC)c2ccc3c(c2)CCCC3)cc1OCC 217191938 JVPNQNVILPTTSW-PGLPJHNESA-N 475.633 5.170 50 10 JKGE Cc1cc(Br)ccc1N/C=C(/C#N)C(=O)Nc1ccc(I)cc1C 217254302 VYEXMWPAEVKGQJ-RAXLEYEMSA-N 496.146 5.129 50 10 JKGE Clc1cc([C@H](Cl)c2cc(Br)c(Cl)s2)ccc1I 232345587 HYAURCSEQZUSKU-JTQLQIEISA-N 482.395 6.750 50 10 JKGE COc1cc(F)c(Br)cc1[C@@H](Br)c1ccc(Br)cc1Cl 234864229 PUPUKGGXCAFXKO-AWEZNQCLSA-N 487.388 6.497 50 10 JKGE Cc1cc([C@@H](Br)c2cc(Cl)ccc2I)c(F)cc1F 235863228 HPGAYLNVBZBNQQ-CQSZACIVSA-N 457.483 6.016 50 10 JKGE Clc1ccc([C@H](Cl)c2cc(Br)ccc2Br)c(Br)c1 236034136 XUMINPLQAGSFKJ-ZDUSSCGKSA-N 473.817 6.956 50 10 JKGE Clc1ccc(I)c([C@@H](Br)c2ccc3c(c2)CCCO3)c1 236084154 MHDNHQSHEKAYJV-INIZCTEOSA-N 463.540 5.754 50 10 JKGE O=C(NN=Cc1sc(Nc2ccccc2)nc1Cl)c1cc(-c2ccccc2)nn1-c1ccccc1 254484074 VSOJHBUBYOWHIN-UHFFFAOYSA-N 498.999 6.157 50 10 JKGE Cc1cc(OCC(=O)NN=C2C=C(c3ccccc3)[C@](O)(c3ccccc3)C2)ccc1C(C)C 254625764 CCJYMXCPTXOEHQ-GDLZYMKVSA-N 454.570 5.345 50 10 JKGE Cc1cc(C)c([C@@H](Cl)c2csc(I)c2)c(C)c1Br 302471045 XKWJNZURTZJCOG-AWEZNQCLSA-N 455.586 6.369 50 10 JKGE Cl[C@H](c1cccc(OCc2ccccc2)c1)c1cc(I)cc2c1OCC2 312115503 PKUPYTSOLZKNBJ-OAQYLSRUSA-N 476.741 6.133 50 10 JKGE C[C@@H](Cl)c1nc2cc(F)c(Br)cc2n1C[C@@H]1CCN(Cc2ccccc2)C1 312246413 DPQPSDFYXGRDPH-GDBMZVCRSA-N 450.783 5.760 50 10 JKGE Brc1cccc([C@@H]2CN(Cc3ccccc3)C[C@H]2CI)c1 382699195 WAEOOIUFKWDUCP-AEFFLSMTSA-N 456.165 5.100 50 10 JKGE Cc1cc(C)c([C@@H](Br)Cc2ccc(Br)cc2)c(C)c1Br 383570665 ZMLWNIHKIDYVNL-HNNXBMFYSA-N 461.035 6.816 50 10 JKGE C[C@H]1CN(Cc2ccccc2)C[C@@H]1n1c(CCCl)nc2cc(F)c(Br)cc21 389875943 UHMPCWXBQPGXQF-XOBRGWDASA-N 450.783 5.412 50 10 JKGE C[C@@H](Cl)c1nc2cc(Br)ccc2n1CCCOCCOCc1ccccc1 390477157 LESNBVKTQRTSSI-MRXNPFEDSA-N 451.792 5.722 50 10 JKGE Fc1ccc(Br)cc1[C@H](Br)c1ccc(F)c(Br)c1F 691633799 GOMITEVLKTWVIA-LLVKDONJSA-N 458.897 6.113 50 10 JKGE CC(C)[C@H]1CN(c2cccc(Br)c2CBr)CCN1Cc1ccccc1 704740250 OZHNTLXHOLLVPN-OAQYLSRUSA-N 466.261 5.691 50 10 JKGE C[C@@H](CC(CBr)(CBr)c1ccc(Br)cc1)C(C)(C)C 710823798 WNWWLSKHPZRRPX-LBPRGKRZSA-N 455.072 6.549 50 10 JKGE FC(F)(F)c1cccc(Cl)c1[C@@H](Cl)c1cc(Br)c(Br)s1 712578749 ILHGBNDXRVLFNL-JTQLQIEISA-N 468.947 7.274 50 10 JKGE COc1ccccc1CNC(=O)[C@H](c1cccs1)N(C(=O)CCl)c1cccc(C(F)(F)F)c1 725237468 IGFPXNZIXJDECV-NRFANRHFSA-N 496.938 5.405 50 10 JKGE Cc1cccc(C)c1-n1c(C)c(Br)c(C=NNC(=O)[C@H](C)SCc2ccccc2)c1C 725409217 UZYJYXOWBFTKFK-FQEVSTJZSA-N 498.490 6.245 50 10 JKGE Cc1cccc(-n2c(C)cc(C=NNC(=O)CSCc3ccccc3Br)c2C)c1 725417814 ZVZXBGMITJBTCC-UHFFFAOYSA-N 470.436 5.549 50 10 JKGE O=C(OCc1ccccc1)N1C[C@H](CBr)[C@H](c2ccc(OC(F)(F)F)cc2)C1 725418454 ZJLGFFCFQARJAZ-WMZOPIPTSA-N 458.274 5.332 50 10 JKGE CC(=NNC(=O)CN(c1cccc(C)c1)S(=O)(=O)c1ccccc1)c1ccc(C(C)(C)C)cc1 1083911208 TUENNAFDNHWAGI-UHFFFAOYSA-N 477.630 5.028 50 10 JKGE CN(C)C(=O)/C(C#N)=C/c1cc(Cl)c(OCc2ccc(Br)cc2)c(Cl)c1 1084006273 UFWFRXQCGFFWSZ-VGOFMYFVSA-N 454.151 5.330 50 10 JKGE COc1cc(/C=C(\C#N)C(=O)N(C)C)cc(Br)c1OCc1ccc2ccccc2c1 1084054295 PSWUKNIXMPFFLZ-RGVLZGJSSA-N 465.347 5.185 50 10 JKGE CCOc1cc(C=NNC(=O)CC[C@H](O)c2ccccc2)cc(Cl)c1OCc1ccc(C)cc1 1084101382 BEOQQGYAGRKSMP-DEOSSOPVSA-N 480.992 5.590 50 10 JKGE CCOc1cc(C=NNC(=O)c2ccc(Cl)cc2Cl)ccc1OC(=O)/C=C\c1ccccc1 1084283387 YYUFIQBGDGOKMY-OENYJSQJSA-N 483.351 5.775 50 10 JKGE C=CCOc1ccc(Br)cc1C=NNC(=O)c1ccccc1OCc1ccccc1 1084611767 FGHJCJGDNYRNFM-UHFFFAOYSA-N 465.347 5.357 50 10 JKGE CCN(CC)c1ccc(C=NNC(=O)c2ccc([N+](=O)[O-])cc2)c(OCc2ccc(Cl)cc2)c1 1565517823 FJXNSJCARAEPMY-UHFFFAOYSA-N 480.952 5.437 50 10 JKGE COc1cc(C=NNC(=O)COc2cc(C)ccc2C)ccc1OCc1ccc(Cl)cc1 1772754477 IHNUHDNPUZGRFC-UHFFFAOYSA-N 452.938 5.074 50 10 JKGE N#CC1=C(N)Oc2c(c(C(F)(F)F)nn2-c2ccc(Br)cc2)[C@H]1c1ccc(Cl)cc1 1865682970 CATBMAIFHJKXCL-HNNXBMFYSA-N 495.686 5.525 50 10 JKGE COc1ccc2ccccc2c1[C@@H]1C(C#N)=C(N)Oc2c1c(C)nn2Cc1ccc(Cl)cc1 1865688739 ZNRRTJSBCBLRCK-XMMPIXPASA-N 456.933 5.273 50 10 JKGE CCOc1ccc([C@H]2C(C#N)=C(N)Oc3c2c(C)nn3Cc2ccc(Cl)c(Cl)c2)cc1OC 1865695798 UAIGOFCCVKCVBC-QFIPXVFZSA-N 485.371 5.172 50 10 JKGE N#CC1=C(N)Oc2c(c(C(F)(F)F)nn2Cc2ccccc2)[C@@H]1c1cc(Br)ccc1F 1865702345 TWSPTCLUSRWBDO-MRXNPFEDSA-N 493.258 5.070 50 10 JKGE CCCc1nn(Cc2cc(C)ccc2C)c2c1[C@@H](c1ccccc1OC(C)C)C(C#N)=C(N)O2 1865705273 QHKGQOXVHLZJSB-VWLOTQADSA-N 456.590 5.506 50 10 JKGE COc1ccc(-c2nn(-c3cccc(Cl)c3)c3c2[C@H](c2ccccc2O)C(C#N)=C(N)O3)cc1 1865708044 MOGONIHFISOGDL-JOCHJYFZSA-N 470.916 5.125 50 10 JKGE N#CC1=C(N)Oc2c(c(C(F)(F)F)nn2-c2ccc(Br)cc2)[C@@H]1c1ccc(F)cc1 1865708087 NVPPCAQSALXTCB-OAHLLOKOSA-N 479.231 5.011 50 10 JKGE COc1ccc([C@H]2C(C#N)=C(N)Oc3c2c(-c2ccccc2)nn3Cc2cccc(Cl)c2)cc1 1865713061 PYPAIEGXEIBLDX-QHCPKHFHSA-N 468.944 5.479 50 10 JKGE C/C(=C\c1cccc(Cl)c1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)Nc1ccc(SC#N)cc1 1866817479 ZQXGFFGXDPDYAK-VRBZIXIWSA-N 492.000 5.388 50 10 JKGE COc1ccc(/C=C2\Oc3cc(OCc4cccc(CCl)c4)cc(C)c3C2=O)c(OC)c1 1871437039 GRFQBJJDAIQWBP-MYKKPKGFSA-N 450.918 5.946 50 10 JKGE CCOc1cc(/C=C(\C#N)c2cc3c(cc2[N+](=O)[O-])OCCO3)ccc1OCc1ccc(Cl)cc1 1872728635 MGDIYYREBZOCRO-YBFXNURJSA-N 492.915 6.061 50 10 JKGE N#C/C(=C(/O)c1ccccc1Br)c1nc(-c2ccc(-c3ccccc3)cc2)cs1 1872743815 NEXZNCWFNJSUDF-ATJXCDBQSA-N 459.368 7.189 50 10 JKGE CCOC(=O)Oc1ccc(/C(O)=C(\C#N)c2nc(-c3ccc(OC)c(OC)c3)cs2)cc1 1872745549 SJEGCLLZOJCSRS-FXBPSFAMSA-N 452.488 5.312 50 10 JKGE COc1ccc(C/C(O)=C(\C#N)c2nc(-c3ccc(Br)cc3)cs2)cc1OC 1872746562 NPRPBKUSLIDXLB-VLGSPTGOSA-N 457.349 5.625 50 10 JKGE COc1ccc(CN2C(=O)c3ccc(/C(O)=C(\C#N)c4nc(-c5cccs5)cs4)cc3C2=O)cc1 1872750912 TYRBFNOHPIKVQH-ATJXCDBQSA-N 499.573 5.626 50 10 JKGE Cc1ccc(C(C)(C)C)cc1-c1csc(/C(C#N)=C(\O)C(c2ccccc2)c2ccccc2)n1 1872755924 LWXLEWLTMMLONX-FVDSYPCUSA-N 464.634 8.041 50 10 JKGE COc1c(Cl)cc(-c2csc(/C(C#N)=C(\O)Cc3ccc(Br)cc3)n2)cc1Cl 1872756109 RPEBZDLDMWMUNE-JXAWBTAJSA-N 496.213 6.923 50 10 JKGE COc1c(C)cc(Cl)cc1-c1csc(/C(C#N)=C(\O)c2ccc(N(C)C)c([N+](=O)[O-])c2)n1 1872756775 ABBYUSPQQVPSCA-SILNSSARSA-N 470.938 5.705 50 10 JKGE Cc1nc2ccc(/C(O)=C(\C#N)c3nc(-c4cc(Cl)ccc4Cl)cs3)cc2nc1C 1872758944 XWIIUYCLKZDVNX-PGMHBOJBSA-N 453.354 6.627 50 10 JKGE COc1c(C)cc(Cl)cc1-c1csc(/C(C#N)=C/c2ccc(OCc3ccccc3)cc2)n1 1872793953 BVUHDLSDBKWNFB-FYJGNVAPSA-N 472.997 7.424 50 10 JKGE FC1(F)CC[C@H](Br)[C@H](Cc2cc(Br)ccc2Br)CC1 1881809261 IRSQDFAZAWPMJV-ZANVPECISA-N 460.982 6.343 50 10 JKGE CC[C@@H](Br)CN(Cc1ccccc1)S(=O)(=O)c1cc(Br)sc1C 1915073865 KPGDYXMXJGUMBV-CQSZACIVSA-N 481.275 5.183 50 10 JKGE CC[C@@H](Cl)CN(Cc1ccccc1)C(=O)c1c(Br)cccc1Br 1915097447 VPNXIMGDKOWCOW-CQSZACIVSA-N 459.609 5.871 50 10 JKGE Brc1cc(Br)c([C@H](Br)c2cc3sccc3s2)s1 1922937485 YQJCHNBZEWQPER-SNVBAGLBSA-N 473.074 7.034 50 10 JKGE CCn1cc([C@@H](Cl)c2c(Br)sc(Br)c2Cl)nc1Br 1923055595 WCXCTXSKTSTECD-ZCFIWIBFSA-N 497.865 6.234 50 10 JKGE CC(C)(C1CCCCC1)[C@H](Br)c1c(Br)sc(Br)c1Cl 1923068735 VUOCLGNICBYNNR-LLVKDONJSA-N 493.530 7.969 50 10 JKGE CCC(F)(F)C(C)(C)[C@H](Cl)c1c(Br)sc(Br)c1Br 1924609490 YLHSMBWVQBGKAC-SSDOTTSWSA-N 489.445 7.387 50 10 JKGE Cc1ccc(F)c([C@H](Br)c2c(Cl)sc(Br)c2Cl)c1F 1925590516 OZEHNRFCWRXXEY-QMMMGPOBSA-N 450.957 6.888 50 10 JKGE Clc1cc(Br)c([C@H](Cl)c2cc(Br)ccc2Br)s1 1948824118 VBYVPCJPLSVNRH-SNVBAGLBSA-N 479.846 7.017 50 10 JKGE C[C@H]1C[C@@H](N(C)c2cc(Br)ccc2CBr)CN1Cc1ccccc1 1949203261 BEJVQQGYMQLJJX-HNAYVOBHSA-N 452.234 5.443 50 10 JKGE CCN[C@H](c1c(Br)sc(Br)c1Br)C1CC(Cl)C1 2020462387 BJFAHNXHQWBIRG-BIFUPNIPSA-N 466.464 5.704 50 10 JKGE Cl[C@@H](Cc1cccc(Br)c1)c1c(Br)cccc1Br 2033091112 NDTKILYNORFAJI-ZDUSSCGKSA-N 453.399 6.497 50 10 JKGE Cn1ncc(Br)c1[C@@H](Br)c1cc(Br)c(Cl)cc1F 2036580199 SPHMDTJNJGWFBJ-JTQLQIEISA-N 461.354 5.222 50 10 JKGE Cc1c(Cl)cc([C@H](Br)c2sc(Cl)cc2Br)cc1Br 2048496179 GCLBPKWRZZLJOA-NSHDSACASA-N 493.873 7.373 50 10 JKGE Cc1nn(C)c(Br)c1[C@@H](Br)c1c(Cl)sc(Br)c1Cl 2065889490 AWQLMCSBIOEFGJ-ZCFIWIBFSA-N 497.865 6.106 50 10 JKGE CCC[C@H]1CC[C@H]([C@@H](Br)c2cc(Br)sc2Br)CC1 2072705279 ZGTKJJJIYMJHQC-GIPNMCIBSA-N 459.085 7.316 50 10 JKGE Fc1cc(Cl)c([C@@H](Cl)c2scc(Br)c2Br)cc1Cl 2083770706 MTSJGKHFRYLDPB-SNVBAGLBSA-N 453.385 7.047 50 10 JKGE COc1c(C)cc(Br)cc1[C@H](Br)c1ccsc1Br 2085628222 OEOLATBVPVTZNF-LLVKDONJSA-N 455.009 6.074 50 10 JKGE ClC[C@@H](Cc1cccc(Br)c1Br)c1cccc(Br)c1 2092335716 PVCCCRZGCQYDIM-GFCCVEGCSA-N 467.426 6.539 50 10 JKGE FC1(F)C2(CCC2)[C@]1(CBr)Cc1cc(Cl)ccc1I 2093464561 DKWFUWBBUGZXBH-CYBMUJFWSA-N 461.515 5.688 50 10 JKGE O=C(c1csc(Br)c1Br)N1[C@H](CBr)C[C@H]2CCC[C@@H]21 2108391985 ODSYQMBQVAQNOP-WEDXCCLWSA-N 472.040 5.051 50 10 JKGE Fc1c(Cl)cccc1C[C@H](Br)c1c(Cl)sc(Br)c1Cl 2113469680 BICPYVHCOZEEMI-LURJTMIESA-N 467.412 7.289 50 10 JKGE Brc1ccc(Br)c(C[C@@H]2CCCCCCC[C@@H]2Br)c1 2118523893 CRGFBZMAZXGBSJ-WFASDCNBSA-N 453.056 6.878 50 10 JKGE Cc1cc(Br)c(C)c([C@H](Br)[C@@H]2CC23CCCC3)c1Br 2136375326 UNWQMIYBIQQFLX-XHDPSFHLSA-N 451.040 6.845 50 10 JKGE Cc1cc(F)c(Cl)cc1[C@H](Br)c1cccc(Br)c1Br 2137051957 QHVIOMNACPZSIS-CYBMUJFWSA-N 471.389 6.797 50 10 JKGE Cc1cc(Br)cc(CBr)c1OCc1ccc(Cl)cc1Br 2144775206 YIPHTKGGMPXQGB-UHFFFAOYSA-N 483.425 6.647 50 10 JKGE COc1cc(Br)c(C)cc1[C@@H](Br)c1cccc(Br)c1C 2145961506 IWJTVIQJHUCFKO-INIZCTEOSA-N 463.007 6.321 50 10 JKGE BrCC(CBr)(CCS[C@@H]1CCOC1)c1ccc(Br)cc1 2149122579 KGEMCGKQIIAUHU-CQSZACIVSA-N 487.095 5.389 50 10 JKGE O=C(c1csc(Br)c1Br)N1CC[C@@](CBr)(C(F)(F)F)C1 2167692654 XLBSVZKKYSSEIM-JTQLQIEISA-N 499.972 5.063 50 10 JKGE ClCc1nc2cc(Cl)c(Br)cc2n1CCCOCCOCc1ccccc1 2168998970 MUZNIPHHGKVWPY-UHFFFAOYSA-N 472.210 5.815 50 10 JKGE Cc1cc(Br)c([C@H](Br)c2cccc(C(F)F)c2)cc1Br 2172592963 DCCRTFZUNCIBCD-CQSZACIVSA-N 468.961 6.942 50 10 JKGE Cc1cc(Br)c([C@@H](Br)c2ccc3nsnc3c2)cc1Br 2177161618 DHGPLKOGKXYZJC-AWEZNQCLSA-N 477.019 6.009 50 10 JKGE COc1cc2c(cc1Br)nc([C@H](C)Cl)n2C[C@H](C)N(C)Cc1ccccc1 2202312665 XVIACZCNJFFQIP-GJZGRUSLSA-N 450.808 5.628 50 10 JKGE Cc1c(Br)ccc([C@@H](Br)Cc2cccc(F)c2F)c1Br 2203690233 ZTRXLDGVWCLTPR-LBPRGKRZSA-N 468.961 6.477 50 10 JKGE Cc1c(Br)ccc([C@@H](Br)c2cc3cnn(C)c3s2)c1Br 2203707148 VXLCYLYDLPXJIC-CYBMUJFWSA-N 479.035 5.953 50 10 JKGE Cc1cc(Br)c([C@H](Cl)c2sc(Br)c(C)c2Br)s1 2215943897 UMNMJHBNTNPYSS-QMMMGPOBSA-N 479.484 7.042 50 10 JKGE Clc1cc(Cl)cc(C[C@@H](Br)c2csc(I)c2)c1 2217399753 OOCOENFKFLWSPV-LLVKDONJSA-N 461.977 6.338 50 10 JKGE Cc1cc(Br)c([C@H](Br)c2cscc2Br)c(C)c1Cl 2217609001 UPHDWFVYNDHJSN-GFCCVEGCSA-N 473.455 7.028 50 10 JKGE CCc1sc(Br)cc1[C@H](Br)c1sc(C)c(C)c1Br 2221825834 OXZNIKHBUZFAOT-LBPRGKRZSA-N 473.093 6.998 50 10 JKGE Cc1cc([C@H](Br)c2c(Br)cc(C)c(Cl)c2C)oc1Br 2224311743 NJNUOWHAVDEBPG-LBPRGKRZSA-N 471.414 6.868 50 10 JKGE CC1(C)[C@@H]([C@H](Br)c2c(Br)cc(Cl)c(Cl)c2Cl)C1(F)F 2224319186 CXZATNDZEIRVBX-GMSGAONNSA-N 457.367 7.137 50 10 JKGE COc1cc(Br)ccc1[C@H](Br)c1sc(Br)c(C)c1C 2225847019 HMWUWJJITWYDMZ-LBPRGKRZSA-N 469.036 6.383 50 10 JKGE Cc1cc(Br)c([C@@H](Br)c2ccc(Cl)cc2)c(C)c1Br 2227349849 FDJWOPYUVZXZEX-HNNXBMFYSA-N 467.426 6.966 50 10 JKGE Fc1cc(Br)cc2c1nc(CCl)n2C[C@H]1CCCN(Cc2ccccc2)C1 2232924617 VAEXODLDTYZRRK-INIZCTEOSA-N 450.783 5.589 50 10 JKGE COc1c(C(C)C)cc(Br)cc1[C@H](Br)c1ccc(Br)s1 2233159060 HAWGREGGNIAHAF-AWEZNQCLSA-N 483.063 6.889 50 10 JKGE Fc1cc([C@@H](Br)c2ccc3c(c2Br)CCO3)ccc1Br 2238082919 SXZCRUUUNZXLIO-CQSZACIVSA-N 464.954 5.770 50 10 JKGE Fc1cccc(I)c1[C@@H](Cl)c1c(Cl)sc(Cl)c1Cl 2255964307 PIOHLYXEVVDDDS-MRVPVSSYSA-N 455.934 6.780 50 10 JKGE Cn1ncc([C@H](Cl)c2cc3sc(Br)cc3s2)c1I 2263621703 YDWGNMMRLKGVPS-JTQLQIEISA-N 473.586 5.392 50 10 JKGE Cc1cc(F)c(Br)cc1[C@H](Br)c1c(Br)sc(C)c1C 2270429981 RWLFFFNKYXMXLZ-ZDUSSCGKSA-N 471.027 6.822 50 10 JKGE Cc1cc(F)c(Br)cc1[C@@H](Br)c1sc(Br)c(C)c1C 2270454318 WMXPUHMBTGAROS-GFCCVEGCSA-N 471.027 6.822 50 10 JKGE COc1c(Br)cc(Cl)cc1[C@H](Br)c1scc(Cl)c1Cl 2277889042 MWNSPDKUIHPMKH-VIFPVBQESA-N 465.421 6.964 50 10 JKGE CC(C)c1cc(Br)cc(C[C@H](Br)c2ccc(Br)cc2)c1 2280687178 BVQSVBRXANJGGK-KRWDZBQOSA-N 461.035 7.014 50 10 JKGE CC(C)([C@@H]1CCCO1)[C@@H](Br)c1c(F)cc(Br)c(F)c1Br 2288498580 IMFOSMJWRUGIMB-ZANVPECISA-N 476.981 6.131 50 10 JKGE Cc1ccc(-c2ccc(C=C(C#N)C(=O)Nc3cc(C(F)(F)F)ccc3Cl)o2)c([N+](=O)[O-])c1 2295187725 CTUHIMKTALCXNX-UHFFFAOYSA-N 475.810 6.381 50 10 JKGE N#CC(=CNc1ccccc1OC(F)(F)[C@H](F)Cl)c1nc(-c2cccc([N+](=O)[O-])c2)cs1 2295948563 LLTPCLKVQJZCOY-IBGZPJMESA-N 480.855 6.201 50 10 JKGE Cc1cccc(NC(SCc2c(F)cccc2Cl)=C(C#N)S(=O)(=O)c2ccccc2)c1 2297350070 SBZXRHCTDUUHEU-UHFFFAOYSA-N 472.994 6.299 50 10 JKGE COc1ccc(C=C(C#N)C(=O)Nc2ccc(Br)cc2F)cc1OCc1ccccc1 2297551643 WPUJWJBVHSBTRQ-UHFFFAOYSA-N 481.321 5.721 50 10 JKGE Cn1nc([C@@H](Cl)c2sc(Cl)cc2I)c(Br)c1Cl 2301078836 MXRMGABQTHBPHH-ZCFIWIBFSA-N 486.387 5.484 50 10 JKGE FC(F)(F)[C@H]1C[C@@H]([C@@H](Br)c2cc(Br)c(Br)s2)C1 2307503449 ODZDLNGFGOFFEU-GLDDHUGJSA-N 456.947 6.298 50 10 JKGE Cl[C@@H](c1c(Br)sc(Br)c1Br)[C@@H]1C[C@H]1C1CCCC1 2311499591 FZVXWYVNMFILLW-VAOFZXAKSA-N 477.487 7.142 50 10 JKGE Brc1cc(OCc2ccccc2)ccc1[C@@H](Br)[C@@H]1OC[C@@H]2CCC[C@@H]21 2314449079 MZJGFFYMYLWURQ-YHEJVBIMSA-N 466.213 6.279 50 10 JKGE Cc1ccc(-c2ccc(C=C(C#N)c3nc(O)c4cc(Br)ccc4n3)o2)c([N+](=O)[O-])c1 2314489235 QYXABAXMOACEMT-UHFFFAOYSA-N 477.274 5.639 50 10 JKGE Brc1ccc(OCc2ccccc2)c([C@@H](Br)C[C@H]2C[C@H]3CC[C@H]2C3)c1 2314489333 KHCJKKBECSWSKZ-UGNRZPKXSA-N 464.241 7.290 50 10 JKGE Fc1c(Br)cc(Cl)c([C@@H](Br)C[C@@H]2CCCO2)c1Br 2315449948 WPWOONHHUFXNCB-BQBZGAKWSA-N 465.382 6.009 50 10 JKGE Cc1nc(-c2ccc(F)cc2F)ccc1C(=O)NN=Cc1cccc(OCc2ccccc2)c1 2321244526 LUMDZCDYSUSYES-UHFFFAOYSA-N 457.480 5.678 50 10 JKGE CCCOc1ccc(-c2csc(NC(=O)C(C#N)=Cc3cccc(F)c3)c2C(=O)OCC)cc1 2329673968 HASKCGZGOODYAT-UHFFFAOYSA-N 478.545 6.065 50 10 JKGE N#CC(=C(O)CNC(=O)c1ccc(Cl)cc1)c1nc(-c2ccc(Cl)cc2Cl)cs1 2331250581 GRWQOWZZYTUIRS-UHFFFAOYSA-N 464.761 5.993 50 10 JKGE CC(C)[C@@H](C(O)=C(C#N)c1nc(-c2ccccc2Cl)cs1)N1C(=O)c2ccccc2C1=O 2331266029 RXAVWUVBMRPCHD-FQEVSTJZSA-N 463.946 5.577 50 10 JKGE Cc1cc(-c2csc(C(C#N)=C(O)c3ccc4c(c3)C(=O)N(Cc3ccco3)C4=O)n2)ccc1F 2331322845 XPUKENNSAMIXTO-UHFFFAOYSA-N 485.496 5.597 50 10 JKGE CCCCCCCOc1ccc(-c2csc(C(C#N)=C(O)c3cccc(OCC(C)C)c3)n2)cc1 2331345875 GHXFKQNCNVCXLH-UHFFFAOYSA-N 490.669 8.144 50 10 JKGE COc1cc(Cl)c(C)cc1-c1csc(C(C#N)=C(O)Cc2cc(Cl)ccc2Cl)n1 2331389274 LBZONHZYPUEFAQ-UHFFFAOYSA-N 465.789 7.123 50 10 JKGE COc1ccc(-c2csc(C(C#N)=Cc3ccc(OCc4ccc(C)cc4)cc3)n2)cc1OC 2331417382 KUEBEAHAOXIVIR-UHFFFAOYSA-N 468.578 6.779 50 10 JKGE FC1(F)C[C@]12CC[C@H]([C@H](Br)c1ccc(OCc3ccccc3)cc1Br)C2 2336081937 WDILEJYLTBAHSE-RYGJVYDSSA-N 486.194 7.290 50 10 JKGE Cc1cc(I)c(Oc2c(F)cccc2CBr)cc1Cl 2336550468 GNOHKKLYBRWEFL-UHFFFAOYSA-N 455.492 6.079 50 10 JKGE CC(C)(C[C@@H](Br)c1c(Cl)cc(Br)c(F)c1Br)C1CC1 2337088167 IVQHLEWMLKQBGF-SECBINFHSA-N 477.437 7.266 50 10 JKGE FC(F)(F)C12CC([C@@H](Br)c3sc(Br)cc3Br)(CO1)C2 2338580492 KXPGRXMYDLEXGK-IDKOKCKLSA-N 484.957 5.821 50 10 JKGE Cc1cc(Br)c(F)c(Br)c1[C@H](Br)[C@@H](C)[C@H]1CCCO1 2339679717 OGEGCAQTWZLZIQ-MKPLZMMCSA-N 458.991 5.910 50 10 JKGE C[C@@H](c1ccncc1F)[C@H](Cl)c1cc(Br)ccc1I 2344696072 PDTMMLWIJZDSQG-RTHLEPHNSA-N 454.508 5.671 50 10 JKGE FC(F)(F)[C@H]1C[C@H](Br)CCN1Cc1ccc(I)c(Cl)c1 2361423674 LWURXVVYEVKXSH-BXKDBHETSA-N 482.509 5.235 50 10 JKGE Fc1cc(Br)c(F)c(Br)c1[C@H](Br)C[C@@H]1CC[C@H]1C1CC1 2368175773 AWQQPLOEZNSKTB-LPEHRKFASA-N 472.993 6.752 50 10 JKGE CC(C)(F)[C@](C)(F)CO[C@](C)(CI)c1ccccc1Br 2381513877 BPBFWUHXVHCKQM-HUUCEWRRSA-N 461.128 5.592 50 10 JKGE CC(C)(C)c1ccc(C(=O)Nc2ccc(C(=O)N/N=C/c3c(O)ccc4ccccc34)cc2)cc1 12491713 FWBVQLPMDHQGTC-UXHLAJHPSA-N 465.553 5.859 50 10 JKGE COc1ccccc1/C(C#N)=C\c1cccc(OC(=O)[C@@H](C)Oc2ccc(Cl)cc2Cl)c1 31902737 WWNYRKITKCASKY-UWCCDQBKSA-N 468.336 6.439 50 10 JKGE C/C(=N/NC(=O)c1ccc(NC(=O)c2ccccc2C)cc1)c1ccc(Br)cc1 33516942 GQXNVULYYYEZHI-QQXSKIMKSA-N 450.336 5.164 50 10 JKGE Cc1cccc(C)c1OCCOc1ccc(Br)cc1/C=C(/C#N)C(=O)Nc1ccccc1 33563966 VPWNEODYAMWKFF-QNGOZBTKSA-N 491.385 6.069 50 10 JKGE N#C/C(=C/c1ccc(Cl)cc1Cl)c1nc(-c2ccc(-c3ccc(Cl)cc3Cl)o2)cs1 34367707 GBNSWOMDETXVFM-QPEQYQDCSA-N 492.214 8.748 50 10 JKGE CC(C)CC(=O)Nc1ccc(C(=O)NN=C(/C=C\c2ccccc2)/C=C/c2ccccc2)cc1 34918424 UYAUSFYKPULYDR-CMVCHCHFSA-N 451.570 6.184 50 10 JKGE CC(C)(C)c1ccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)COc4ccc(Cl)cc4)ccc32)cc1 38649712 LLTPNBIQNUWAHL-SANMLTNESA-N 488.971 5.840 50 10 JKGE N#C/C(=C\c1ccc(OC(=O)/C=C/c2ccco2)cc1)c1nc(-c2ccc3ccccc3c2)cs1 39868008 CMETZRLOQNGOOP-DRMWGEEFSA-N 474.541 7.239 50 10 JKGE Cc1c(C(=O)N2CCCCC2)oc2c1/C(=N/NC(=O)c1ccc(-c3ccccc3)cc1)CCC2 40822675 CQAZLTOXMKGOGI-BYNJWEBRSA-N 455.558 5.352 50 10 JKGE CCc1cccc(OCC(=O)N/N=C/c2ccc(OCc3ccc(Cl)cc3)c(OC)c2)c1 40888524 GZJNCGOFZKTRIY-JFLMPSFJSA-N 452.938 5.019 50 10 JKGE CCCc1ccc(OCC(=O)N/N=C/c2ccc(OCc3ccc(C)cc3)cc2)c(Br)c1 40960149 QLEHUOOQTIALQY-LQKURTRISA-N 495.417 5.818 50 10 JKGE O=C(N/N=C(/CSc1nc2ccccc2o1)c1ccc(-c2ccccc2)cc1)c1cccc(Cl)c1 59460681 UXHXOBPINCPCOX-GDWJVWIDSA-N 498.007 7.075 50 10 JKGE CCCC[C@@H](CC)CN(C(=O)CCl)[C@@H](C(=O)NC1CCCCC1)c1ccc(Cl)cc1 97914298 YZBAHIQECUWVMB-WZONZLPQSA-N 455.470 6.114 50 10 JKGE CCCCCCCOc1ccc(C(=O)NNC(=O)COc2ccccc2-c2ccccc2)cc1 100153545 ZWHUOXZTWQATPG-UHFFFAOYSA-N 460.574 5.543 50 10 JKGE N#C/C(=C/Nc1cc(C(F)(F)F)cc(C(F)(F)F)c1)S(=O)(=O)c1ccccc1Cl 100406100 QIOSIKFRRAOTCM-LCYFTJDESA-N 454.779 5.628 50 10 JKGE CCn1c2ccccc2c2cc(N/C=C(/C#N)c3nc(-c4ccc5c(c4)OCO5)cs3)ccc21 102419089 CBLSGSJQTNFJSP-JXAWBTAJSA-N 464.550 6.643 50 10 JKGE Cl[C@H](c1cccc(I)c1)c1cc2c(cc1Br)OCCO2 109822013 MDZNEWBXLNXCGM-OAHLLOKOSA-N 465.512 5.153 50 10 JKGE COc1c(Br)cc(Cl)cc1[C@H](Br)c1c(Cl)cccc1Cl 109836329 UFEIABNJZJRQPM-ZDUSSCGKSA-N 459.392 6.902 50 10 JKGE CCOc1ccc([C@H](Br)Cc2cccc(Br)c2)c(Br)c1 123757810 IZQYMHPMHRXDBG-OAHLLOKOSA-N 463.007 6.289 50 10 JKGE Fc1cc(Br)cc(CC(CCl)(CCl)c2cccc(Br)c2)c1 125122313 MUTYQKQTLHSMDW-UHFFFAOYSA-N 454.992 6.309 50 10 JKGE CC[C@@H](C)c1ccc([C@@H](Br)c2cc(Br)c(Br)s2)cc1 128861409 YPEDOUOWXGOCNM-YMTOWFKASA-N 467.064 7.271 50 10 JKGE COc1cc([C@@H](Br)c2cccc(Cl)c2Cl)c(OC)cc1Br 134302934 SXKRRHIDQQYLCG-AWEZNQCLSA-N 454.973 6.257 50 10 JKGE CCc1ccc([C@@H](C)NC(=O)/C(C#N)=C\Nc2ccc(-c3nc4ccc(C)cc4s3)cc2)cc1 217197965 LFXQYOYJSMNYOK-URPBSQGJSA-N 466.610 6.531 50 10 JKGE CCOc1ccc(C)cc1[C@@H](Cl)c1cc(Br)ccc1I 233777022 OLHNRURQHLWSBZ-INIZCTEOSA-N 465.556 6.089 50 10 JKGE CCOc1ccc([C@H](Cl)c2ccc(Br)cc2Br)cc1Br 233802518 QOJBHCOEFDHUSY-HNNXBMFYSA-N 483.425 6.701 50 10 JKGE C[C@H]1C[C@H](Oc2c(Br)cc(CBr)cc2Br)CC[C@H]1C 235341593 YUUROVYHVWOBPX-JFGNBEQYSA-N 455.028 6.310 50 10 JKGE Cc1nn(-c2ccccc2)c(N(C2CCCCC2)C2CCCCC2)c1/C=N/NC(=O)c1cccnc1 253575183 UHFUFVDOGDZWNI-NJZRLIGZSA-N 484.648 5.811 50 10 JKGE COc1ccc(-c2nnc(SCC(=O)NN=C/C(C)=C/c3ccccc3)n2-c2ccc(C)cc2)cc1 254399787 CQEDDUJKQIVSAB-LCJWJVCRSA-N 497.624 5.549 50 10 JKGE CC(C)(C)c1ccc(C(=O)NN=C2C(=O)N(Cc3cccc4ccccc34)c3ccccc32)cc1 254797604 IDHKSBHGXLTJSL-UHFFFAOYSA-N 461.565 5.818 50 10 JKGE Fc1ccc([C@H](Cl)c2scc(C(F)(F)F)c2Br)c(I)c1 312289807 PTAVMVAXOWBLLY-JTQLQIEISA-N 499.492 6.601 50 10 JKGE C[C@H](Br)C[C@@H]1CCCCN1C(=O)c1ccc(Br)cc1Br 312402506 QJDVRUFFYQNBDK-JQWIXIFHSA-N 468.027 5.380 50 10 JKGE CC(C)(C)OC(=O)N1C[C@H](c2cc(Cl)ccc2Br)[C@@H](CBr)C1 382716751 KYGVMEMUPVBNCB-GWCFXTLKSA-N 453.602 5.448 50 10 JKGE Cc1cc([C@@H](Br)c2scc(C(F)(F)F)c2Br)sc1Br 388766883 HELHFURDGHZSMR-MRVPVSSYSA-N 499.009 7.146 50 10 JKGE CCOC(=O)/C=C(C)/C=C/C=C(C)/C=C/C1=C(C)C[C@H](O[Si](C)(C)C(C)(C)C)CC1(C)C 504665040 GJWAMELVKILLHI-KWESJJSUSA-N 458.759 8.081 50 10 JKGE in-vitro COCc1cc(Br)c([C@H](Br)c2cccc(F)c2Br)s1 688144775 KEMUNANUKYNUIM-GFCCVEGCSA-N 472.999 6.043 50 10 JKGE Cn1cc([C@@H](Br)c2cc(Br)ccc2Br)nc1Br 698425740 CFXDLHVICCKTOU-JTQLQIEISA-N 487.815 5.192 50 10 JKGE Brc1cc2c(cc1[C@@H](Br)c1ccsc1Br)CCO2 698588722 LZKCEQQERUVUDI-LBPRGKRZSA-N 452.993 5.692 50 10 JKGE CC1(C)Cc2cc([C@H](Br)c3scc(Br)c3Br)ccc2O1 705467863 XTDNCYNLXJNVIA-LBPRGKRZSA-N 481.047 6.471 50 10 JKGE Cc1cc(Br)c([C@H](Br)c2cscc2C(F)F)cc1Br 717178578 BDANVFKCWQNVKW-LBPRGKRZSA-N 474.990 7.003 50 10 JKGE CC(C)(C)OC(=O)N1CCC[C@@](CI)(OC2CCCCCCC2)C1 721102593 TUCWYALXZJSYOC-IBGZPJMESA-N 451.389 5.321 50 10 JKGE O=C(NN=Cc1ccc(Sc2ccc(Cl)cc2)o1)c1ccc(I)c(O)c1 1082988729 YTDPDUUJJNYVBT-UHFFFAOYSA-N 498.729 5.158 50 10 JKGE O=C(COc1ccc(Cl)cc1)NN=Cc1ccc(Sc2nc3ccc([N+](=O)[O-])cc3s2)o1 1084135658 PDEQYINEDYYDCE-UHFFFAOYSA-N 488.934 5.131 50 10 JKGE O=C(CCCNc1ccc(Br)cc1)NN=Cc1c2ccccc2cc2ccccc12 1084196903 IZHYHNHBIRWNRP-UHFFFAOYSA-N 460.375 6.098 50 10 JKGE O=C(NN=C1C(=O)N(Cc2c(Cl)cccc2Cl)c2ccccc21)c1ccc(Cl)cc1 1084335836 AFJSBZTYTUQHOI-UHFFFAOYSA-N 458.732 5.328 50 10 JKGE Cc1cc(C=NNC(=O)CC[C@@H](O)c2ccccc2)c(C)n1-c1ccc(OCc2ccc(F)cc2)cc1 1084505267 QATOFOYZNIZGLJ-GDLZYMKVSA-N 499.586 5.776 50 10 JKGE N#C/C(=C/c1ccc(OC(=O)c2cccc3ccccc23)cc1)C(=O)Nc1cccc(Cl)c1 1084599403 ZKWFETBQXGWXSH-HKWRFOASSA-N 452.897 6.258 50 10 JKGE Cc1cc(OCC(=O)NN=Cc2c3ccccc3cc3ccccc23)c(C(C)C)cc1Br 1565517784 GOHOKKIKQPJJIH-UHFFFAOYSA-N 489.413 6.716 50 10 JKGE O=C(OCc1ccccc1)N1C[C@H](CBr)[C@H](c2cccc(OC(F)(F)F)c2)C1 1614689518 BFCBIVVAZRXGQR-WMZOPIPTSA-N 458.274 5.332 50 10 JKGE O=C(NN=Cc1nc(-c2ccccc2Cl)c2cc(Br)ccc2n1)c1ccccc1 1772742826 IUOPTLPAOPTHHF-UHFFFAOYSA-N 465.738 5.477 50 10 JKGE CCc1nn(Cc2ccccc2Cl)c2c1[C@@H](c1ccc(OC(C)C)c(OC)c1)C(C#N)=C(N)O2 1865696943 LSPSCPFDWORHIS-QHCPKHFHSA-N 478.980 5.161 50 10 JKGE Cn1cc([C@H]2C(C#N)=C(N)Oc3c2c(C(F)(F)F)nn3-c2ccccc2Cl)c2ccccc21 1865699530 WJPRDVCGCQANKL-GOSISDBHSA-N 469.854 5.254 50 10 JKGE CCc1nn(-c2ccccc2Cl)c2c1[C@@H](c1ccc(OCc3ccccc3C)cc1)C(C#N)=C(N)O2 1865703455 VWNIISFTYQSVSC-SANMLTNESA-N 496.998 6.194 50 10 JKGE COc1cc([C@H]2C(C#N)=C(N)Oc3c2c(-c2ccccc2)nn3-c2ccccc2Cl)ccc1O 1865706123 OBONCCHMVQAWBX-QFIPXVFZSA-N 470.916 5.125 50 10 JKGE COc1ccc(-c2nn(Cc3cccc(Cl)c3)c3c2[C@H](c2ccccc2O)C(C#N)=C(N)O3)cc1 1865707856 HRKNNHTZBCBYMV-HSZRJFAPSA-N 484.943 5.184 50 10 JKGE CCc1nn(Cc2cccc(Cl)c2)c2c1[C@H](c1ccc(C(F)(F)F)cc1)C(C#N)=C(N)O2 1865711011 NXNKFTDINBRGCD-LJQANCHMSA-N 458.871 5.384 50 10 JKGE N#CC1=C(N)Oc2c(c(C(F)(F)F)nn2Cc2ccccc2F)[C@@H]1c1ccc(C(F)(F)F)cc1 1865711331 VTBQULPZLVGBFL-MRXNPFEDSA-N 482.359 5.326 50 10 JKGE Cc1nn(-c2ccc(Cl)c(Cl)c2)c2c1[C@H](c1ccc(Br)cc1)C(C#N)=C(N)O2 1865715186 YTAUQPNLONLRNW-GOSISDBHSA-N 476.161 5.468 50 10 JKGE N#CSc1ccc(Nc2cc(N3CCN(C(=O)C4CCCCC4)CC3)nc(-c3cccnc3)n2)cc1 1868564482 BMZHHBVVDJPXCJ-UHFFFAOYSA-N 499.644 5.084 50 10 JKGE CCOc1ccc(/C=C/C(O)=C(\C#N)c2nc(-c3cc(Cl)c(OC)cc3OC)cs2)cc1 1872756035 AUVFADBAJAUOQD-BMGGISQYSA-N 468.962 6.385 50 10 JKGE N#C/C(=C(/O)CCCOc1ccc(Cl)cc1Cl)c1nc(-c2ccc(Cl)s2)cs1 1872758067 JYEKNALRDDZYJY-QINSGFPZSA-N 471.818 7.484 50 10 JKGE CCOc1ccc(CC/C(O)=C(\C#N)c2nc(-c3ccc(OC)c4ccccc34)cs2)cc1OC 1872758631 JCQBNLLIDLTZGZ-GYHWCHFESA-N 486.593 6.805 50 10 JKGE COc1cc(/C(O)=C(\C#N)c2nc(-c3ccc(-c4ccccc4)cc3)cs2)c([N+](=O)[O-])cc1OC 1873940925 NRNXZWHEZPDBPZ-QQTULTPQSA-N 485.521 6.352 50 10 JKGE C[C@]1(C(F)(F)F)C[C@@H]1[C@@H](Br)c1cc(Br)sc1Br 1906300584 FEEZNJCDHJDLRI-SHRPOTNHSA-N 456.947 6.298 50 10 JKGE O=S(=O)(c1cc(Br)cs1)N(Cc1ccccc1)C1(CBr)CCC1 1915772707 AXYWIHYVYZQKTL-UHFFFAOYSA-N 479.259 5.019 50 10 JKGE Cc1cc(Cl)ccc1[C@H](Br)c1sc(Br)cc1Br 1922934319 FJXFGKXWQRUKNZ-NSHDSACASA-N 459.428 6.719 50 10 JKGE FC(F)(F)c1cccc([C@H](Br)c2sc(Br)cc2Br)c1 1922955224 XMNWDQFUFQWTCJ-JTQLQIEISA-N 478.953 6.776 50 10 JKGE Clc1c(Br)sc(Br)c1[C@H](Br)C1CC2(CCCC2)C1 1923074168 IEBZWGFVYYALPZ-SECBINFHSA-N 477.487 7.333 50 10 JKGE Fc1ccc(C[C@H](Br)c2c(Cl)sc(Br)c2Cl)c(F)c1 1925589911 MGEAEIMSZMBWCQ-ZETCQYMHSA-N 450.957 6.774 50 10 JKGE Fc1cc(Cl)ccc1[C@H](Br)c1c(Cl)sc(Br)c1Cl 1925590270 XLRKZTYLVLFWQG-QMMMGPOBSA-N 453.385 7.094 50 10 JKGE Brc1cc([C@@H](Br)c2ccc(CC3CC3)s2)c(Br)s1 2027411005 QAHXDXJACRFPDZ-GFCCVEGCSA-N 471.077 6.771 50 10 JKGE CCc1cc(Br)c([C@H](Br)c2cc(Cl)ccc2Br)s1 2029232200 FVUJSTILQMXTDG-GFCCVEGCSA-N 473.455 6.973 50 10 JKGE CS(=O)(=O)c1sccc1[C@H](Br)c1sc(Cl)cc1Br 2036939547 ROIXRJRCTAUDEC-QMMMGPOBSA-N 450.626 5.113 50 10 JKGE Cn1nc([C@@H](Cl)c2cc(Br)ccc2Br)c(Br)c1Cl 2048152868 ZYLJYUZJZXEIKM-VIFPVBQESA-N 477.809 5.689 50 10 JKGE Brc1cc(Br)c([C@H](Br)[C@@H]2C[C@@H]2C2CCCCC2)s1 2079392486 KSTBGZROYAXRSL-GIPNMCIBSA-N 457.069 6.926 50 10 JKGE Cc1cc(Br)c(C)c([C@H](Br)[C@H](C)C(F)(F)F)c1Br 2081070510 JVKBJWXTKZBWAT-WRWORJQWSA-N 452.934 6.463 50 10 JKGE Cc1cc(Cl)c(Br)cc1[C@@H](Cl)c1cc(Br)sc1Br 2082382789 RIBGIRGVUBGZHZ-LLVKDONJSA-N 493.873 7.326 50 10 JKGE COc1c(Cl)cc(-c2csc([C@H](C#N)C(=O)C(C#N)=Cc3ccccc3)n2)cc1Cl 2084324089 GRDOWIQNXDGXHB-MRXNPFEDSA-N 454.338 5.909 50 10 JKGE Cc1cc([C@@H](Br)Cc2ccccc2I)c(Cl)cc1F 2087569270 FGFBYLSNFFJDAI-LBPRGKRZSA-N 453.520 6.071 50 10 JKGE BrCc1ccc(N2CC[C@H]3CCN(Cc4ccccc4)C[C@H]3C2)cc1Br 2092525143 XAZBSZRJQGFFEY-QUCCMNQESA-N 478.272 5.692 50 10 JKGE Cc1csnc1CC(CBr)(CBr)c1cccc(Br)c1 2097001805 PGIWAWVYRQDOTF-UHFFFAOYSA-N 468.052 5.484 50 10 JKGE C[C@H](Cl)c1nc2cc(Br)c(Cl)cc2n1C[C@H]1CCN1Cc1ccccc1 2103808141 SFAAJNMPNIIYHD-DZGCQCFKSA-N 453.211 6.027 50 10 JKGE FC(F)c1ccc([C@H](Cl)c2c(Br)sc(Br)c2Cl)cc1 2116024740 HUTXDQMVBAZRPE-QMMMGPOBSA-N 450.957 7.192 50 10 JKGE C[C@@H]1OCC[C@@H]1CC(CBr)(CBr)c1ccc(Br)cc1 2121123742 ORGIIGOFOCTYRG-NWDGAFQWSA-N 455.028 5.292 50 10 JKGE O=C(c1cc(Br)ccc1[N+](=O)[O-])N(Cc1ccccc1)C1(CBr)CCC1 2129199188 KBXYJYIVPLGMDG-UHFFFAOYSA-N 482.172 5.317 50 10 JKGE Cc1cc([C@@H](Br)c2c(Br)cc(F)c(Cl)c2F)sc1Br 2136966932 OQPBUCINKIZXQP-SECBINFHSA-N 495.408 6.997 50 10 JKGE Cc1cc(Br)c(F)c([C@@H](Br)c2c(Br)sc(C)c2C)c1 2138267058 IKFKXYCEYPGWRR-GFCCVEGCSA-N 471.027 6.822 50 10 JKGE COc1ccc([C@H](Br)c2cc(C)sc2Br)c(OC)c1Br 2157248214 IZFLAJAKVPQGAQ-NSHDSACASA-N 485.035 6.083 50 10 JKGE COc1ccc([C@H](Br)c2cc(Br)c(C)cc2Br)c(Cl)c1 2165934688 AVTDKQJUYPULOG-HNNXBMFYSA-N 483.425 6.666 50 10 JKGE Cc1c(Cl)cc(C[C@@H](CBr)c2cccc(Br)c2)cc1Br 2167384033 GMZBKFWWEIAZST-ZDUSSCGKSA-N 481.453 6.895 50 10 JKGE C[C@@H](Cl)c1nc2cc(Cl)c(Br)cc2n1C[C@H]1CCCN1Cc1ccccc1 2169007395 AQMVWLDJPZYTFZ-GDBMZVCRSA-N 467.238 6.417 50 10 JKGE C[C@H]1C[C@@H](n2c(CCCl)nc3cc(Cl)c(Br)cc32)CN1Cc1ccccc1 2169008531 WGMXKROAHOEKJG-GOEBONIOSA-N 467.238 6.069 50 10 JKGE COC1(C(F)(F)F)CC([C@@H](Cl)c2c(Br)sc(Br)c2Cl)C1 2182019958 OERRDNVAQCMGBI-DJQPPXJLSA-N 476.967 6.564 50 10 JKGE COCc1cc(Br)c([C@H](Br)c2ccc(Br)c(OC)c2)s1 2192150954 JWOSAPWLMWOJHO-CYBMUJFWSA-N 485.035 5.912 50 10 JKGE CC(F)(F)CCCCC(CBr)(CBr)c1cccc(Br)c1 2201509940 KQGBSJOGWGLALS-UHFFFAOYSA-N 477.025 6.692 50 10 JKGE C[C@@H](Br)C#Cc1sc(Br)c(Br)c1Br 2209349469 PNIZZRMOMICCNJ-SCSAIBSYSA-N 451.803 5.171 50 10 JKGE C[C@@H]([C@@H](Br)c1c(Br)cc(Cl)c(Cl)c1Cl)S(C)(=O)=O 2217617080 CLRGELUAXFKGHA-RNHFCUEFSA-N 459.414 5.278 50 10 JKGE Cc1cc(Br)c([C@H](Br)[C@@H]2OC[C@H]3CCC[C@@H]32)cc1Br 2224922368 CZVOZFLEESIISK-KTJYFRGRSA-N 453.012 5.771 50 10 JKGE CO[C@@H]1CCC[C@@H]([C@@H](Br)c2cc(Br)c(Br)cc2F)C1 2225616568 GLESBSCOISQEHT-RFXMVYNHSA-N 458.991 5.992 50 10 JKGE Cc1cc(Br)c([C@@H](Cl)c2cc(Br)sc2C)c(C)c1Br 2227362756 QCPOEYWUBFRLNF-AWEZNQCLSA-N 487.482 7.289 50 10 JKGE Fc1cc([C@@H](Br)Cc2ccc(Br)cc2Cl)ccc1Br 2229148723 FFVGQACOSWXQDC-LBPRGKRZSA-N 471.389 6.683 50 10 JKGE FC[C@]12C[C@]([C@H](Br)c3c(Br)cc(Cl)c(Cl)c3Cl)(CO1)C2 2232519221 JVDZPZRENNPXQW-JHJVBQTASA-N 467.387 6.364 50 10 JKGE COC1CC(CC[C@@H](Br)c2c(Br)cc(C)c(Br)c2C)C1 2235597623 DIYUMGTVUXDBRD-WXRRBKDZSA-N 469.055 6.470 50 10 JKGE FC(F)(F)Oc1ccc(Cl)cc1[C@@H](Br)c1csc(I)c1 2239621329 YYXLMMVAFNNXOW-NSHDSACASA-N 497.501 6.389 50 10 JKGE ClCCc1nc2ccccc2n1-c1ccc(Br)cc1I 2240001525 ZWKGOPAULCMWRJ-UHFFFAOYSA-N 461.528 5.174 50 10 JKGE Cc1c(Br)sc([C@@H](Cl)c2scc(Br)c2Cl)c1Br 2246467253 KHTJGQVHSGQZTC-SSDOTTSWSA-N 499.902 7.387 50 10 JKGE CCc1cc(Br)c([C@H](Cl)c2ccc(Cl)c(I)c2)s1 2256334473 BBGCTKMVGDPIGS-GFCCVEGCSA-N 476.004 6.659 50 10 JKGE COc1c(Br)cc(Cl)cc1[C@@H](Br)c1nn(C)cc1Br 2264356176 IXILNODFEPVEDL-SNVBAGLBSA-N 473.390 5.091 50 10 JKGE COc1ccc([C@@H](Br)c2ccc(Cl)c(I)c2)cc1C 2268278694 ICUMASWYRPKJDV-OAHLLOKOSA-N 451.529 5.746 50 10 JKGE Fc1cc(Br)c(F)c(Br)c1[C@@H](Br)C12CCC(CC1)C2 2272738982 JOAFHPRCHSYOHZ-MBWFCSIISA-N 458.966 6.506 50 10 JKGE Clc1ccc(Br)c([C@@H](Cl)c2cc3sc(Br)cc3s2)c1 2278029436 WWZOCXYDTBZIIY-CYBMUJFWSA-N 457.039 7.469 50 10 JKGE Brc1cc2sc([C@H](Br)c3cc4cscc4s3)cc2s1 2278106088 JNUIKSVDHJTSFY-CYBMUJFWSA-N 450.267 7.486 50 10 JKGE Cc1cc(Br)c([C@H](Cl)c2ccc(Cl)c(I)c2)c(C)c1F 2283581586 HTSUYNFJEDGARL-CQSZACIVSA-N 487.965 6.791 50 10 JKGE Cc1cc([C@@H](Cl)c2c(F)cc(Br)c(F)c2Br)ccc1Br 2288351079 CJLLHUQFYNFJIB-CYBMUJFWSA-N 489.379 6.889 50 10 JKGE COc1c(Br)cc(Cl)cc1[C@@H](Br)c1nn(C)c(Br)c1C 2295277802 VFLFOHTVBNRCDB-SNVBAGLBSA-N 487.417 5.400 50 10 JKGE CCCCCOc1ccc(Br)cc1C=C(C#N)C(=O)Nc1cc(C)ccc1OC 2295680575 LENRZMHFEVYRND-UHFFFAOYSA-N 457.368 5.881 50 10 JKGE CCCOc1ccc(-c2nn(-c3ccccc3)cc2C=C(C#N)C(=O)NC2CCCCC2)c(C)c1 2296706627 AQVVAYNHFVSPHX-UHFFFAOYSA-N 468.601 5.992 50 10 JKGE C=CCOc1ccc(-c2nn(-c3ccccc3)cc2C=C(C#N)C(=O)NC2CCCCC2)c(C)c1 2296707876 UGOYNOPCBWHWCU-UHFFFAOYSA-N 466.585 5.768 50 10 JKGE CCOC(=O)c1c(-c2ccc(C)cc2)csc1NC(=O)C(C#N)=Cc1ccc(N(CC)CC)cc1 2296819136 ZLNFTXFFJHCBHH-UHFFFAOYSA-N 487.625 6.292 50 10 JKGE Cc1cc(C=C(C#N)C(=O)OCC(=O)NC(c2ccccc2)c2ccccc2)c(C)n1CCC(C)C 2297486959 SXKAQEFUEBJZNZ-UHFFFAOYSA-N 483.612 5.507 50 10 JKGE Cc1cc(C=C(C#N)C(=O)NC2CCCCC2)c(C)n1-c1ccc(C23CC4CC(CC(C4)C2)C3)cc1 2297549463 ORZACLLWRUWVBE-UHFFFAOYSA-N 481.684 6.918 50 10 JKGE COc1ccc([C@@H](Br)c2cnsc2Br)cc1I 2300302772 DHTHVLAERVCMMO-SNVBAGLBSA-N 488.970 5.003 50 10 JKGE BrCc1cccnc1Oc1cc(Br)cc(I)c1 2301127930 MBNHPBJTXJQPCG-UHFFFAOYSA-N 468.914 5.136 50 10 JKGE CCOc1cc(C=C(C#N)C(=O)Nc2cccc(Cl)c2Cl)c(Br)cc1O 2313571233 QJKJWBDSGYSOCJ-UHFFFAOYSA-N 456.123 5.406 50 10 JKGE FC(F)(F)[C@@H]1C[C@H]1C[C@H](Br)c1cc(Br)ccc1OCc1ccccc1 2314441197 WSFPZFKDWVMVKY-XKQJLSEDSA-N 478.146 7.053 50 10 JKGE CC(C)(C)C1CC([C@@H](Br)c2cc(Br)ccc2OCc2ccccc2)C1 2314458056 ATYHEPSNTSZYFQ-MYKUNDNFSA-N 466.257 7.536 50 10 JKGE CC1(C)C[C@H]([C@H](Br)c2sc(Cl)cc2I)C(C)(C)O1 2316775373 RGTWLSPZOGQXLE-XCBNKYQSSA-N 463.606 6.036 50 10 JKGE COc1ccc(CCN(Cc2ccccc2)[C@H](CBr)C(C)C)c(Br)c1 2317220890 RKRIZTKRXISFJS-OAQYLSRUSA-N 469.261 5.922 50 10 JKGE C[C@@H](Oc1ccc(Cl)cc1Cl)C(=O)Oc1cccc(C=C(C#N)c2ccc(Cl)cc2)c1 2318356232 BWXPPUAHBGSSBU-OAHLLOKOSA-N 472.755 7.084 50 10 JKGE Cc1cc(C(=O)N[C@@H](CCBr)COCc2ccccc2)cc(C)c1Br 2320361775 UMZCYOIUZFLAQD-SFHVURJKSA-N 469.217 5.166 50 10 JKGE Cc1ccc2nc(-c3ccc(NC=C(C#N)C(=O)Nc4cccc(Cl)c4C)cc3)sc2c1 2324331630 XOPMUPQVSNJEIA-UHFFFAOYSA-N 458.974 6.692 50 10 JKGE COc1cc(C=C2Oc3cc(OCc4ccc(CCl)cc4)cc(C)c3C2=O)cc(OC)c1OC 2325339569 HTKRDBDRHOXRGJ-UHFFFAOYSA-N 480.944 5.955 50 10 JKGE C=CCOc1ccccc1OCC(O)=C(C#N)c1nc(-c2ccc(-c3ccccc3)cc2)cs1 2331232053 NNAOWLLEXKJEJS-UHFFFAOYSA-N 466.562 6.914 50 10 JKGE N#CC(=C(O)c1c(Cl)ccc(Cl)c1Cl)c1nc(-c2ccc3ccccc3c2)cs1 2331239201 UVFKIAXBTKHTDY-UHFFFAOYSA-N 457.769 7.873 50 10 JKGE CCCCOc1ccc(C(O)=C(C#N)c2nc(-c3ccc4c(c3)CCCC4)cs2)cc1OCC 2331240300 VBLQVRBBKLUDFT-UHFFFAOYSA-N 474.626 7.216 50 10 JKGE N#CC(=C(O)Cc1ccc(OCc2ccccc2)cc1)c1nc(-c2ccc(Cl)cc2Cl)cs1 2331250616 LJBUOZLNPKQCPG-UHFFFAOYSA-N 493.415 7.731 50 10 JKGE N#CC(=C(O)CNC(=O)c1ccc(Cl)cc1)c1nc(-c2cccc(Br)c2)cs1 2331279243 AHUUTWGZQDFBML-UHFFFAOYSA-N 474.767 5.449 50 10 JKGE C[C@@H](c1ccccc1)N1C[C@@H](C(O)=C(C#N)c2nc(-c3ccc([N+](=O)[O-])cc3)cs2)CC1=O 2331281122 KABALVAEBRXGTA-YJBOKZPZSA-N 460.515 5.121 50 10 JKGE COc1ccc(OC)c(-c2csc(C(C#N)=C(O)C=Cc3ccc(Cl)c(Cl)c3)n2)c1 2331325128 NCNYKPVWHXDTIY-UHFFFAOYSA-N 459.354 6.640 50 10 JKGE N#CC(=C(O)c1ccccc1I)c1nc(-c2ccc3c(c2)OCO3)cs1 2331334762 INIHELXTDKFHRC-UHFFFAOYSA-N 474.279 5.093 50 10 JKGE CCOc1ccc(-c2csc(C(C#N)=Cc3ccc(OC(=O)c4ccccc4)c(OC)c3)n2)cc1 2331440958 GFJIAJUCAHVTBB-UHFFFAOYSA-N 482.561 6.501 50 10 JKGE N#CC(=Cc1ccc(OC(=O)c2ccccc2)cc1)c1nc(-c2ccc3c(c2)OCO3)cs1 2331454036 OEIUCSQDJTYLIH-UHFFFAOYSA-N 452.491 5.822 50 10 JKGE COc1cc(C)c(-c2csc(C(C#N)=Cc3cc(Br)c(O)c(OC)c3)n2)cc1C 2331484352 GUEVDKLLJLSIAH-UHFFFAOYSA-N 471.376 5.976 50 10 JKGE N#CC(=Cc1ccc(OCc2ccc(Cl)cc2)cc1)c1nc(-c2ccc(Cl)s2)cs1 2331484969 GPNZEINYCMTPDZ-UHFFFAOYSA-N 469.418 7.822 50 10 JKGE CCCN[C@@H](c1c(Br)cc(Cl)c(Cl)c1Cl)[C@@H]1C[C@H]1Br 2333444826 QYKINBYJWJVCHX-FRSIUCEKSA-N 450.429 6.233 50 10 JKGE FC1(F)[C@H]([C@@H](Br)c2ccc(OCc3ccccc3)cc2Br)C12CCCC2 2336041545 OUPNNKRCRIXMIN-RBUKOAKNSA-N 486.194 7.290 50 10 JKGE COc1c(Br)cc(C)c([C@H](Cl)c2cc(Br)sn2)c1Br 2339649286 UHQDSHHZMHOIRQ-LLVKDONJSA-N 490.442 6.076 50 10 JKGE C[C@@H]1CN(Cc2ccc(Cl)cc2I)CC[C@H]1CCBr 2341009538 LIXNXSZCMOTLRI-VXGBXAGGSA-N 456.593 5.188 50 10 JKGE Cc1c(CBr)ccc(NC(=O)c2csc(I)c2)c1C 2342216456 PRKOVBZQTNKYFE-UHFFFAOYSA-N 450.139 5.117 50 10 JKGE Clc1ccc(I)cc1C[C@@H](CBr)c1ccccc1Cl 2352369738 IBDANJFTUNPORX-NSHDSACASA-N 469.975 6.319 50 10 JKGE Fc1cc(Cl)ccc1[C@H](Br)c1c(F)cc(Cl)c(Br)c1Cl 2360491980 IYESVLFYVQUNBP-NSHDSACASA-N 465.346 7.172 50 10 JKGE Brc1cc(OCc2ccccc2)ccc1[C@@H](Br)c1ccc2c(c1)OCCO2 2361196362 XEGIRGJVEDTAFH-QFIPXVFZSA-N 490.191 6.284 50 10 JKGE CCCCCCCC[C@@H](Br)c1c(Cl)cc(Br)c(F)c1Br 2362231692 YFRFHWQJBLDAJO-SNVBAGLBSA-N 493.480 8.191 50 10 JKGE FC(F)(F)C12CC([C@H](Br)c3cc(Br)ccc3Br)(CO1)C2 2363910612 MQTNWAOGCVRUIT-VOMCLLRMSA-N 478.928 5.759 50 10 JKGE COc1c(Br)cc(C)c([C@H](Br)[C@]23CCCC[C@H]2C3)c1Br 2365187542 BGLVXFWLVBTUOB-HNHYXYPQSA-N 467.039 6.545 50 10 JKGE COc1c(Br)cc(C)c([C@H](Br)C[C@H]2C[C@H]2C2CC2)c1Br 2365233510 GATUFZUGFSTELN-GRYCIOLGSA-N 467.039 6.401 50 10 JKGE ClC1CCC2(CC1)C[C@H]2CNCc1ccc(I)c(Br)c1 2377332112 MDXCBEVFXVGXFF-FUJMWEONSA-N 468.604 5.331 50 10 JKGE FC1(F)C[C@@](CCl)(Cc2ccc(I)c(Br)c2)C12CCC2 2377334148 GYZBQBKNIVCLOL-CYBMUJFWSA-N 475.542 6.031 50 10 JKGE FC(F)(F)[C@@]1(CCl)CCN(Cc2ccc(I)c(Br)c2)C1 2377341665 CYDBZOUPXIALDL-GFCCVEGCSA-N 482.509 5.047 50 10 JKGE CC1CCC([C@H](CBr)NCc2cccc(Br)c2Br)CC1 2379755772 QWDFDRFLCGMTEB-QOZQQMKHSA-N 468.071 5.891 50 10 JKGE FC(F)(F)[C@H]1C[C@@H](CO[C@H](CI)c2cccc(Br)c2)C1 2381177601 ZSGVJOSPFFCJML-SUZMYJTESA-N 463.075 5.530 50 10 JKGE CCOC(=O)c1c(NC(=O)/C(C#N)=C/c2ccc(OC)cc2)sc(C)c1-c1ccc([N+](=O)[O-])cc1 1974840 GWHFXFMQWHJDBF-QGOAFFKASA-N 491.525 5.363 50 10 JKGE CCn1c2ccccc2c2cc(/C=N/NC(=O)c3ccc(NC(=O)C4CCCCC4)cc3)ccc21 12487427 RONIAPNNXUQQMT-NDZAJKAJSA-N 466.585 6.097 50 10 JKGE C[C@H](Oc1ccc(-c2ccccc2)cc1)C(=O)NNC(=O)c1sc2ccccc2c1Cl 14038595 BRSICKHQVHCZJO-HNNXBMFYSA-N 450.947 5.450 50 10 JKGE N#C/C(=C/c1ccc(-c2ccccc2[N+](=O)[O-])o1)c1nc(-c2cc3ccccc3oc2=O)cs1 33471753 GNIJFHHMLZHEPO-WJDWOHSUSA-N 467.462 6.149 50 10 JKGE CC(C)Oc1ccc(C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@@H]3c2ccc(C(C)C)cc2)cc1 38649517 SMTPYOLPXNMWQD-HHHXNRCGSA-N 468.553 6.035 50 10 JKGE CC(C)c1ccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)Cc4cccc5ccccc45)ccc32)cc1 38649549 VIFNPDBWMMLIOE-SSEXGKCCSA-N 474.560 6.329 50 10 JKGE Cc1ccc(NC(=O)c2oc3c(c2C)/C(=N/NC(=O)c2ccc4ccccc4n2)CCC3)cc1 40825890 PPUPQHHSBCFFIB-MWAVMZGNSA-N 452.514 5.167 50 10 JKGE COc1cc(/C=C(\C#N)c2ccc(Cl)cc2)ccc1OC(=O)[C@@H](C)Oc1ccc(Cl)cc1C 40851043 VSEZGBYACZDXDH-UOBPLZBXSA-N 482.363 6.748 50 10 JKGE C=CCc1cc(/C=N\NC(=O)CC[C@@H](O)c2ccc(OCC)cc2)ccc1OCc1cccc(C)c1 58895108 ROSRJEMACWMTLT-JGFAXXQYSA-N 486.612 5.665 50 10 JKGE CCOc1cc(/C=C(/C#N)C(=O)Nc2ccc(C)cc2)cc(Cl)c1OCc1ccccc1Cl 59536612 FSTXNCCJWKLAJQ-NDENLUEZSA-N 481.379 6.825 50 10 JKGE Cc1ccc(NC(=O)/C(C#N)=C\c2cc(Cl)cc(Cl)c2OCCOc2c(C)cccc2C)cc1 96482397 AGCIBJZKPBKJFQ-BKUYFWCQSA-N 495.406 6.922 50 10 JKGE CCOC(=O)c1c(N/C=C(\C#N)c2nc(-c3cc4ccccc4oc3=O)cs2)sc(C)c1C 102924775 KKCOWZYMBZQEHV-LFIBNONCSA-N 477.567 5.748 50 10 JKGE Fc1ccc([C@@H](Br)c2cc(Br)sc2Br)cc1C(F)(F)F 109869689 MRUNHGZGUHOIRE-SNVBAGLBSA-N 496.943 6.915 50 10 JKGE Fc1ccccc1CC(CBr)(CBr)c1ccccc1Br 118878852 FZAYJEBOJXSVIN-UHFFFAOYSA-N 464.998 5.859 50 10 JKGE CSc1ccc([C@H](Br)c2cc(Br)c(Br)s2)cc1 128224709 GMESGCBJDSFRHN-NSHDSACASA-N 457.050 6.479 50 10 JKGE COc1cc(Br)ccc1[C@H](Br)c1cc(C)c(Br)cc1C 160783151 OHVGMEMUBKRWOO-INIZCTEOSA-N 463.007 6.321 50 10 JKGE CCC(C)(C)c1ccc([C@H](Br)c2cc(Br)ccc2Br)cc1 161110812 FORSHLNVBDXWSW-KRWDZBQOSA-N 475.062 7.384 50 10 JKGE CC(C)COc1c(Cl)cc(/C=N/NC(=O)C23CC4C[C@](C)(C2)C[C@@](C)(C4)C3)cc1Cl 169889585 YJMLFEAYVJHGMT-NGFZROJWSA-N 451.438 6.475 50 10 JKGE C[C@@H](N/C=C(/C#N)C(=O)Nc1ccccc1Sc1ccccc1)c1ccc2c(c1)CCCC2 217243463 NKHKVOFLKDKBMM-QUOHCSHWSA-N 453.611 6.413 50 10 JKGE N#C/C(=C/Nc1ccc(I)cc1)C(=O)Nc1ccccc1Sc1ccccc1 217243896 FUPBSJNUXNIDCH-NXVVXOECSA-N 497.361 5.900 50 10 JKGE CCOc1ccc([C@H](Br)c2ccc(C)cc2Br)cc1Br 228993036 UGNGQYLIUHJQSH-INIZCTEOSA-N 463.007 6.403 50 10 JKGE Cc1cc([C@@H](Br)c2cc(Br)sc2Br)cc(C)c1F 235862610 DUAQGORIVUESBB-LLVKDONJSA-N 457.000 6.513 50 10 JKGE BrCC(CBr)(C[C@H]1C[C@H]2CC[C@H]1C2)c1ccc(Br)cc1 250257301 RHSGHTZEAZAUHZ-MELADBBJSA-N 465.067 6.303 50 10 JKGE Brc1ccc(Br)c([C@H](Br)[C@@H]2[C@H]3CCc4ccccc4[C@@H]32)c1 250845759 IJGWUIDSAHQXLJ-RUGDWHBFSA-N 471.030 6.624 50 10 JKGE Cc1nn(-c2ccccc2)c(Cl)c1/C=N/NC(=O)CCCSc1nc2ccccc2s1 253559829 AAWNERVRCLLOJE-ZVHZXABRSA-N 470.023 5.466 50 10 JKGE O=C(NN=Cc1cc(Cl)ccc1OCc1c(Cl)cccc1Cl)c1cc(O)cc(O)c1 254834906 MTGZVKIYOLXASJ-UHFFFAOYSA-N 465.720 5.401 50 10 JKGE Cc1cccc2nc(CCl)n(-c3cc(I)ccc3Br)c12 380405197 FPZCUXADPBSGFM-UHFFFAOYSA-N 461.528 5.440 50 10 JKGE Cc1cc(Cl)ccc1[C@H]1CN(C(=O)OCc2ccccc2)C[C@@H]1CI 382733847 VWBVWZPOCCPVGZ-LPHOPBHVSA-N 469.750 5.436 50 10 JKGE Clc1cc(COc2c(Br)cc(Br)cc2CBr)cs1 385966032 LLHPGZZPZCIUMV-UHFFFAOYSA-N 475.427 6.400 50 10 JKGE Cc1cc(Br)cc([C@H](Br)c2cc(Cl)c(Cl)c(Cl)c2Cl)c1 404660137 QHSZAVGTTWMPFH-NSHDSACASA-N 477.838 7.855 50 10 JKGE Clc1cccc(CBr)c1-c1c(Cl)c(Cl)c(Cl)c(Cl)c1Cl 514252518 QLGLQDHNJBJUMP-UHFFFAOYSA-N 453.805 8.169 50 10 JKGE Cl[C@@H]1[C@H](Cl)[C@@H](C(c2ccccc2)(c2ccccc2)c2ccccc2)[C@H]1Cc1ccccc1 575629642 BQLRFGJJPAVZGS-GIFPIDKJSA-N 457.444 7.725 50 10 JKGE Clc1cc([C@H](Br)Cc2ccccc2Br)sc1Br 692422945 IWFLXGOBEBRIDP-SECBINFHSA-N 459.428 6.605 50 10 JKGE C[C@H](CBr)[C@@H]1CCCCN1C(=O)c1cc(Br)sc1Br 696787054 JWJFFCCPXHFZOB-SCZZXKLOSA-N 474.056 5.299 50 10 JKGE C[C@H]1Cc2cc(Br)cc([C@@H](Br)c3ccsc3Br)c2O1 720046265 VXZTYKPGNGBCSY-MADCSZMMSA-N 467.020 6.081 50 10 JKGE CCOc1cc(C=NNC(=O)c2ccc(C)cc2)ccc1OC(=O)c1sc2ccccc2c1Cl 725431346 KVIOJBADVHZAIG-UHFFFAOYSA-N 492.984 6.245 50 10 JKGE N#C/C(=C/c1cc(-c2ccccc2)n(-c2ccc([N+](=O)[O-])cc2)c1-c1ccccc1)c1ccccc1 1084041883 NBEFVEXRFCUNEU-OOAXWGSJSA-N 467.528 7.784 50 10 JKGE N#Cc1ccccc1Cn1cc(C=NNC(=O)c2ccccc2Br)c2ccccc21 1084107335 DIOIOTJJGFNQQZ-UHFFFAOYSA-N 457.331 5.088 50 10 JKGE COc1ccc(COc2ccc(C=NNC(=O)c3cccc(NC(=O)c4ccc(F)cc4)c3)o2)cc1 1084428726 AYECFZXLLOMGPW-UHFFFAOYSA-N 487.487 5.023 50 10 JKGE Cc1ccc2cccc(OC(=O)c3oc4c(c3C)C(=NNC(=O)c3cccs3)CCC4)c2n1 1772748180 ANOJIIWOOFDHHW-UHFFFAOYSA-N 459.527 5.196 50 10 JKGE O=C(CSc1nc(-c2ccccc2)cs1)NN=Cc1cccc(OCc2ccccc2Cl)c1 1772755055 JTRKLINZIXJHOF-UHFFFAOYSA-N 494.041 6.285 50 10 JKGE CCCCCOc1ccc([C@H]2C(C#N)=C(N)Oc3c2c(C)nn3-c2cccc3ccccc23)cc1OC 1865694743 AMRMUKYUHJCLDW-NDEPHWFRSA-N 494.595 6.130 50 10 JKGE CCCCCCOc1ccc([C@@H]2C(C#N)=C(N)Oc3c2c(C)nn3Cc2ccc(C)cc2)cc1OC 1865695850 IFZMJOCLRDVLNS-HHHXNRCGSA-N 486.616 5.734 50 10 JKGE CCCc1nn(Cc2cccc(Cl)c2)c2c1[C@@H](c1cc(Cl)c(O)c(OC)c1)C(C#N)=C(N)O2 1865707018 LWOOOXJXZAWJIJ-FQEVSTJZSA-N 485.371 5.123 50 10 JKGE CC[C@](C)(NC(=O)C[C@H](c1ccccc1)c1ccc(F)c(F)c1)C(=O)Nc1ccc(SC#N)cc1 1867131191 CHFGDSCBGCXXIS-AMGIVPHBSA-N 493.579 5.984 50 10 JKGE N#C/C(=C(/O)c1ccc2c(c1)C(=O)N(Cc1ccco1)C2=O)c1nc(-c2ccccc2Cl)cs1 1872745871 HJUAFTZHXVFQHF-QOCHGBHMSA-N 487.924 5.803 50 10 JKGE CCOc1ccc(-c2csc(/C(C#N)=C(\O)[C@@H](C(C)C)N3C(=O)c4ccccc4C3=O)n2)cc1 1872747492 GFINDLKXGSUQKQ-LAGVDGIJSA-N 473.554 5.322 50 10 JKGE CCOc1cc(/C=C(\C#N)c2nc(-c3ccc4ccccc4c3)cs2)ccc1OCc1ccccc1 1872782696 PTMDQNIHPKXJFX-JVWAILMASA-N 488.612 8.005 50 10 JKGE N#C/C(=C\c1cc2c(cc1[N+](=O)[O-])OCCO2)c1nc(-c2cccc(Br)c2)cs1 1872784662 UJVXCZZVFPWZJI-MKMNVTDBSA-N 470.304 5.316 50 10 JKGE CCOc1ccc(-c2csc(/C(C#N)=C/c3ccc(OCc4ccccc4Cl)cc3)n2)cc1 1872790418 HEFHQIFPOJHLDJ-PXLXIMEGSA-N 472.997 7.505 50 10 JKGE CCCOc1ccc(-c2csc(/C(C#N)=C(\O)Cc3ccc(OC)cc3OC)n2)cc1OCCC 1872818123 NSHUIINCSNKNKP-LNVKXUELSA-N 494.613 6.440 50 10 JKGE FC1(F)[C@@H]2CC[C@H]([C@@H](Br)c3cc(Br)c(Br)s3)[C@@H]21 1905705493 JWPWQDCHOANBOJ-CCCGMHFHSA-N 450.968 6.000 50 10 JKGE C[C@H](Cl)c1nc2c(Br)cc(F)cc2n1[C@H]1CN(Cc2ccccc2)C[C@@H]1C 1912671448 ZYDZABPZCNAYPX-NJSLBKSFSA-N 450.783 5.931 50 10 JKGE CC(C)[C@H](CCl)N(Cc1ccccc1)C(=O)c1cc(Br)ccc1Br 1915288652 LVWIIIMUTSCOKN-SFHVURJKSA-N 473.636 6.117 50 10 JKGE O=C(c1ccc(F)cc1I)N(Cc1ccccc1)C1(CCl)CCC1 1915767947 DYVBRIJTLSZOOF-UHFFFAOYSA-N 457.714 5.234 50 10 JKGE CN(C[C@H](Br)COCc1ccccc1)c1ncc(Br)cc1C(F)(F)F 1916335164 ORJMNNKPLZPLAM-AWEZNQCLSA-N 482.138 5.279 50 10 JKGE Fc1cc(Cl)cc([C@@H](Br)c2sc(Br)cc2Br)c1F 1922898947 YXEWHQRABKNIME-SECBINFHSA-N 481.381 6.689 50 10 JKGE C[C@H]([C@@H](Br)c1c(Br)sc(Br)c1Cl)C(C)(C)C 1923049028 JOFWHANDYKWBEV-IYSWYEEDSA-N 453.465 7.045 50 10 JKGE Clc1c(Br)sc(Br)c1[C@@H](Br)c1cccc2c1CCCC2 1923068377 QMXCCUANGSOKKM-LBPRGKRZSA-N 499.493 7.290 50 10 JKGE CC(C)c1ccc([C@H](Cl)c2c(Br)sc(Br)c2Br)cc1 1924597013 WLOAFBFVCJIVII-LBPRGKRZSA-N 487.482 7.487 50 10 JKGE Cc1c(Br)sc([C@H](Br)[C@H]2CCC[C@@H](C)CC2)c1Br 2039360612 UTDGGMVTMFZYAQ-UBHAPETDSA-N 459.085 7.234 50 10 JKGE CCCOc1ccc(-c2nn(-c3ccccc3)cc2C=C(C#N)S(=O)(=O)c2ccc(C)cc2)c(C)c1 2040467085 WHKISJCDRBBMJS-UHFFFAOYSA-N 497.620 6.283 50 10 JKGE CC(C)C(CBr)(CBr)Cc1ccc(Cl)c(Br)c1F 2047990760 PYUAAXXKNJAESG-UHFFFAOYSA-N 465.426 6.216 50 10 JKGE Cn1nc([C@@H](Br)Cc2cccc(Br)c2)c(Br)c1Cl 2048146118 HASUYLFDBVHQOK-VIFPVBQESA-N 457.391 5.277 50 10 JKGE FC(F)([C@@H](Br)c1c(Br)sc(Br)c1Cl)[C@@H]1CCOC1 2065536775 USXCHZODQOVABX-FBCQKBJTSA-N 489.401 6.034 50 10 JKGE CCCC[C@H](C)CC[C@@H](Br)c1sc(Br)c(C)c1Br 2086056973 LXRUIODQRSAFKZ-GXSJLCMTSA-N 461.101 7.624 50 10 JKGE O=C(c1cc(Br)c(Br)s1)N1C[C@H](Br)CC2(CCC2)C1 2094999218 IFZPVYJBOGSSJJ-MRVPVSSYSA-N 472.040 5.053 50 10 JKGE FC1(F)C[C@]12CC[C@H]([C@H](Cl)c1c(Br)sc(Br)c1Cl)C2 2099913782 AOXUGRWVCSLXBC-DGVCYOPGSA-N 454.989 7.032 50 10 JKGE Fc1cc2c(cc1I)nc(CCCl)n2[C@H]1CC[C@@H]1OCc1ccccc1 2100138391 NUGYCZWQUCTNCJ-HKUYNNGSSA-N 484.740 5.482 50 10 JKGE O=C(NC[C@H]1CCCC[C@H](Br)C1)c1scc(Br)c1Br 2107496793 GEZGAKFIMSKROR-IUCAKERBSA-N 474.056 5.347 50 10 JKGE Clc1cc(Br)cc(COc2cccc(Br)c2CBr)c1 2110529665 XWQQDDNAGJNAKF-UHFFFAOYSA-N 469.398 6.339 50 10 JKGE Cc1nc([C@H](Br)c2csc3c(Br)cccc23)c(Br)s1 2113186031 WZBAVYSVFVOYQJ-SNVBAGLBSA-N 482.060 6.676 50 10 JKGE Clc1cccc([C@@H](Br)CCc2cc(Cl)ccc2I)c1 2113481860 WAQFYMVIWLPCQV-AWEZNQCLSA-N 469.975 6.667 50 10 JKGE FC(F)c1cccc([C@H](Br)c2c(Cl)sc(Br)c2Cl)c1 2115949696 VXQARGLLFHJNLE-QMMMGPOBSA-N 450.957 7.239 50 10 JKGE Cc1cc(Br)c(CBr)c(N2CCN(Cc3ccccc3)C3(CCC3)C2)c1 2116825364 CIDQYXNBTNWEEO-UHFFFAOYSA-N 478.272 5.897 50 10 JKGE C[C@@H](CCCCCBr)NC(=O)c1c(Br)cccc1Br 2117893624 VTLZRVQQTNPSKG-JTQLQIEISA-N 456.016 5.285 50 10 JKGE CCOc1cc(Cl)c([C@@H](Br)c2cc(I)sn2)cc1Cl 2120031756 KHSBLTWWUHCNIX-GFCCVEGCSA-N 492.991 5.938 50 10 JKGE Cc1cc(Br)c([C@H](Br)C2CCC(F)(F)CC2)cc1Br 2121100390 HKWXGEJSTHLDLX-CYBMUJFWSA-N 460.982 6.782 50 10 JKGE CC(C)(C)OC(=O)N[C@H](CBr)Cc1cc(C(F)(F)F)cc(C(F)(F)F)c1 2121677799 IXFAQRYLAMOLRJ-LBPRGKRZSA-N 450.217 5.555 50 10 JKGE Cc1cc(Br)c([C@H](Br)[C@H]2C[C@@H]3CC[C@H](C2)O3)cc1Br 2124960075 IJCJPZKNSUQSFI-YYHMBLRTSA-N 453.012 5.914 50 10 JKGE Brc1ccc(Br)c([C@H](Br)[C@@H]2C[C@H]2C2CCOCC2)c1 2135279335 VQWFEVAKIDQZJE-YWPYICTPSA-N 453.012 5.710 50 10 JKGE Cc1cc(Cl)c(Br)cc1[C@H](Br)c1ccc(Cl)c(Br)c1 2137643474 SGHLYNOIXYEKRK-CQSZACIVSA-N 487.844 7.311 50 10 JKGE Cc1cc(Br)c([C@@H](Br)[C@]23CO[C@](CF)(C2)C3)cc1Br 2137893568 NDCYMAPSDYGKOD-MGPQQGTHSA-N 456.975 5.475 50 10 JKGE Cc1c(Br)ccc([C@H](Br)[C@@]23CCC[C@@H](C2)OC3)c1Br 2138871452 GCCIHMBEWQENBV-LKTVYLICSA-N 453.012 5.915 50 10 JKGE O=C(N[C@H]1CCCC[C@H]1CCBr)c1ccc(I)c(Cl)c1 2146719963 QIDACBWCFZTEKP-HZMBPMFUSA-N 470.576 5.018 50 10 JKGE C[C@H](Br)C[C@H]1CCCCN1C(=O)c1cccc(Br)c1Br 2148771808 VLIRVICPSCGBSC-WDEREUQCSA-N 468.027 5.380 50 10 JKGE C[C@H]1CC(COc2c(Br)cc(CBr)cc2Br)C[C@H](C)C1 2149158353 CXVCPDLNGKNGII-GHMZBOCLSA-N 469.055 6.558 50 10 JKGE CCOc1cc(Cl)c([C@H](Cl)c2csc(Br)c2Br)cc1Cl 2150342744 YWXCRTKDSKTOFS-LBPRGKRZSA-N 479.448 7.307 50 10 JKGE Brc1cccc(Br)c1[C@@H](Br)Cc1nc2ccccc2o1 2150504303 VBLCQKBQWRJFTM-NSHDSACASA-N 459.963 6.032 50 10 JKGE O=S(=O)(c1cc(Br)cc(CCl)c1F)N(Cc1ccccc1)CC1CCCC1 2152156612 UNTQKAYZOIKAFI-UHFFFAOYSA-N 474.823 5.708 50 10 JKGE CC(C)(C)OC(=O)NCC1CCS(=O)(=NCC2(CBr)CCCCCC2)CC1 2163059567 UPTSTYFNTRDNJB-UHFFFAOYSA-N 465.498 5.125 50 10 JKGE Cc1c(Cl)cc([C@@H](Cl)c2cc(Cl)c(Br)cc2F)cc1Br 2167387294 FXLUHRIUPXLTCI-CQSZACIVSA-N 461.383 7.294 50 10 JKGE Clc1cccc(Br)c1[C@@H](Br)c1cc2c(cc1Br)OCC2 2169467641 QALMNQLKVULECG-HNNXBMFYSA-N 481.409 6.284 50 10 JKGE O=C(c1csc(Br)c1Br)N1C[C@@H](CBr)C2(CCCC2)C1 2175221406 OTVPXAJUIZNAGH-SECBINFHSA-N 486.067 5.300 50 10 JKGE O=S(=O)(c1cc(Cl)cc(CBr)c1Cl)N(Cc1ccccc1)C1CCCCC1 2179864180 XPHFUKWOHHHKNM-UHFFFAOYSA-N 491.278 6.412 50 10 JKGE CCOc1ccc([C@@H](Br)c2nn(CC)cc2Br)cc1Br 2181174226 ISZHZIBBINOGHD-CYBMUJFWSA-N 466.999 5.311 50 10 JKGE C[C@H]1C[C@H](n2c(CCl)nc3c(Br)cc(F)cc32)CN(Cc2ccccc2)C1 2184260740 OIWBXCOOCGHNHV-YOEHRIQHSA-N 450.783 5.760 50 10 JKGE Cc1cc(Br)c(C)c([C@H](Br)[C@]23CCC[C@@H]2OCC3)c1Br 2201064361 XSYNKDIWVUJMBG-RCBQFDQVSA-N 467.039 6.224 50 10 JKGE ClCCc1nc2c(Br)cccc2n1C[C@H]1CC1(Br)Br 2224809824 ZMPGGBQQCOQSMN-MRVPVSSYSA-N 471.418 5.086 50 10 JKGE Cc1cc(Br)c([C@H](Br)CC2(C)CCCC2)c(C)c1Br 2227353413 SVUMXWOHWUZBSN-CYBMUJFWSA-N 453.056 7.235 50 10 JKGE Cc1c(Cl)cccc1[C@@H](Br)c1c(Br)cc(Cl)c(Cl)c1Cl 2232513774 RRYJLYSQKZVNOK-GFCCVEGCSA-N 477.838 7.855 50 10 JKGE Cc1cc(Br)c([C@H](Cl)c2nn(C)c(Cl)c2Br)c(C)c1Cl 2232527833 FQNYIXWPOGUULA-NSHDSACASA-N 461.412 6.197 50 10 JKGE Clc1cc(Br)c([C@H](Br)[C@@H]2C[C@H]3C[C@H]2[C@H]2C[C@@H]23)c(Cl)c1Cl 2232530181 PPAPXJHTILFUEA-DCBYBZGNSA-N 459.436 7.137 50 10 JKGE C[C@H](Cl)c1nc2c(F)cc(Br)cc2n1C1CCN(Cc2ccccc2)CC1 2232916234 ODJOJZAYBPLDOE-AWEZNQCLSA-N 450.783 6.075 50 10 JKGE Cc1nscc1C[C@H](Br)c1ccc(Br)cc1I 2246948488 LQANIDMFTPSXQT-NSHDSACASA-N 486.998 5.497 50 10 JKGE Fc1cc(Br)c(Br)cc1[C@H](Cl)c1scc(Br)c1Cl 2253611562 DGZRAVUTKVVKHX-VIFPVBQESA-N 497.836 7.156 50 10 JKGE Cc1cc(Br)c([C@H](Br)[C@@H]2CCC23CCC3)c(C)c1Br 2266140638 PPMUDDIMKKNIAX-XHDPSFHLSA-N 451.040 6.845 50 10 JKGE COc1cc(C)c(Br)c(C)c1[C@@H](Cl)c1csc(I)c1 2269604234 MGKIXCOBFCIIRT-AWEZNQCLSA-N 471.585 6.069 50 10 JKGE C[C@]1(C(F)F)C[C@H]1[C@H](Br)c1c(F)cc(Br)c(F)c1Br 2272739982 OQBKLSZTZVNDAU-SHDSVNISSA-N 468.908 6.217 50 10 JKGE Clc1cc(CN2C[C@H](Br)C[C@H]3CCCC[C@@H]32)ccc1I 2279521120 DKWNLHXRYGRAMM-IOASZLSFSA-N 468.604 5.473 50 10 JKGE COc1ccc([C@@H](Br)c2cc(Br)sc2Br)c2c1CCC2 2284522641 IPLWNESNVDLVJP-CQSZACIVSA-N 481.047 6.255 50 10 JKGE COc1ccc(Br)c2c1nc([C@@H](C)Cl)n2[C@@H](C)CCOCc1ccccc1 2286086560 ZKHIEKFGGFSVFW-LSDHHAIUSA-N 451.792 6.275 50 10 JKGE CCCOc1ccccc1C=C(C#N)C(=O)Nc1ncc(Cc2cccc(C(F)(F)F)c2)s1 2293038775 YVIUPLSFOMZDIY-UHFFFAOYSA-N 471.504 6.087 50 10 JKGE Cc1c(F)ccc([C@H](Br)Cc2cc(Br)cc(Br)c2)c1F 2295279894 UGDHYDIGPHTWKC-CYBMUJFWSA-N 468.961 6.477 50 10 JKGE COc1cc(C)c(Cl)cc1[C@H](Br)c1ccc(Cl)c(I)c1 2295301574 NLSFXZQQNPAQAC-OAHLLOKOSA-N 485.974 6.399 50 10 JKGE N#CC(=CNc1cc(C(F)(F)F)ccc1Cl)c1nc(-c2ccc(Cl)cc2Cl)cs1 2295887861 PHQOUNSCHLHTFC-UHFFFAOYSA-N 474.722 7.766 50 10 JKGE CCOc1ccc(-c2csc(C(C#N)=CNc3ccccc3I)n2)cc1 2295894307 DAXMUVPCBVPZBR-UHFFFAOYSA-N 473.339 5.790 50 10 JKGE CCOc1ccc(C=C2CN(C(C)C)CC3=C2OC(N)=C(C#N)[C@@H]3c2ccc(OCC)cc2)cc1 2295990411 DMEIACXFOZBZLH-MHZLTWQESA-N 471.601 5.353 50 10 JKGE CCc1ccccc1NC(SCc1cccc(Cl)c1)=C(C#N)S(=O)(=O)c1ccccc1 2297349926 CKLZBAZLYJVKAW-UHFFFAOYSA-N 469.031 6.414 50 10 JKGE N#CC(=C1C(=O)N(C(c2ccccc2)c2ccccc2)c2ccccc21)c1nc2ccccc2[nH]1 2297499821 SKVMFENZKBGGFR-UHFFFAOYSA-N 452.517 6.133 50 10 JKGE N#CC(=Cc1ccc(-c2ccc(Cl)c(Cl)c2)o1)C(=O)Nc1ccc(Br)cc1F 2297551644 WRPZECPQRFCSFS-UHFFFAOYSA-N 480.120 6.701 50 10 JKGE COc1cc(C=C(C#N)C(=O)Nc2ccc(O)cc2)cc(Cl)c1OCc1cccc(F)c1 2297624512 DYVNNZVHLIQMHV-UHFFFAOYSA-N 452.869 5.318 50 10 JKGE Fc1cc(Cl)c(Br)c(Cl)c1[C@H](Br)c1csc(Cl)c1 2313825779 ARNITLBXPPBREI-SECBINFHSA-N 453.385 7.094 50 10 JKGE CCOc1ccc(N2C(=O)[C@H](Cc3ccccc3C)SC2=C(C#N)C(=O)Nc2ccccc2C)cc1 2314592054 KVNNZCYLCFUKDM-SANMLTNESA-N 497.620 5.767 50 10 JKGE CC1=C(C#N)C(=O)N([C@@H](C)c2ccccc2)C(=O)C1=Cc1cn(-c2ccccc2)nc1-c1ccc(C)cc1 2314618864 VRCYMFXHYWFGQH-QHCPKHFHSA-N 498.586 6.201 50 10 JKGE COCc1ccc([C@@H](Br)c2cc(Br)ccc2OCc2ccccc2)s1 2319551189 QAOIILOJOBOADV-FQEVSTJZSA-N 482.237 6.720 50 10 JKGE CC(C)(C)c1ccc(Cn2cccc(C(=O)NN=Cc3ccc(Cl)cc3Cl)c2=O)cc1 2323662289 MHJQFPYXZAPDAV-UHFFFAOYSA-N 456.373 5.265 50 10 JKGE CC[C@H]1[C@H](CBr)CCN1Cc1ccc(I)c(Br)c1 2325222416 KVDOAGNYUZXPIP-FZMZJTMJSA-N 487.017 5.049 50 10 JKGE COc1cc(C=C(C#N)c2ccc(C(=O)OC(C)C)o2)ccc1OCc1ccc(Cl)cc1Cl 2331049720 LRZPFNOTQVGDMH-UHFFFAOYSA-N 486.351 6.803 50 10 JKGE CC(C)c1ccccc1O[C@@H](C)C(O)=C(C#N)c1nc(-c2ccc(Cl)cc2Cl)cs1 2331251558 YHXBSLNTTUTQFW-AWEZNQCLSA-N 459.398 7.500 50 10 JKGE CCc1cccc(CC)c1N1C[C@@H](C(O)=C(C#N)c2nc(-c3cc(C)ccc3C)cs2)CC1=O 2331319808 NUFGJZWZANEWER-NRFANRHFSA-N 471.626 6.398 50 10 JKGE N#CC(=C(O)c1ccccc1I)c1nc(-c2ccc(F)c(F)c2)cs1 2331352086 CDWFYYMBERFNAU-UHFFFAOYSA-N 466.250 5.643 50 10 JKGE CCCCc1ccc(N2C[C@H](C(O)=C(C#N)c3nc(-c4c(C)cc(C)cc4C)cs3)CC2=O)cc1 2331393936 KDMUWFYQPPEKDI-JOCHJYFZSA-N 485.653 6.924 50 10 JKGE CCCCCOc1ccc(C=C(C(O)=C(C#N)c2nc(C)cs2)c2ccccc2)cc1OC 2331400102 IWHJNEIMMMSYHD-UHFFFAOYSA-N 460.599 7.063 50 10 JKGE CCCCCOc1ccc(C=C(C#N)c2nc(-c3ccc(OC)c4ccccc34)cs2)cc1OCC 2331489332 SMDDVMOEYDUWOJ-UHFFFAOYSA-N 498.648 8.004 50 10 JKGE Cc1cc([C@@H](Br)c2c(Cl)cc(Br)c(F)c2Br)c(C)o1 2337114556 RNKGWLFWLMWQHR-LLVKDONJSA-N 475.377 6.698 50 10 JKGE Clc1ccc(CN2[C@H](CBr)C[C@@H]3CCC[C@H]32)cc1I 2337228491 XOKFMDYETDGCSV-SLEUVZQESA-N 454.577 5.083 50 10 JKGE Clc1cc(I)c([C@H](Br)[C@@H]2C[C@@H]3CCCCCC[C@H]32)s1 2338560444 LIUUQCFMSPBVGX-ICUOPCATSA-N 473.645 7.049 50 10 JKGE Cc1c(F)ccc([C@H](Br)c2c(Cl)sc(Br)c2Cl)c1Cl 2338566989 UQBMRFVLNANWAQ-QMMMGPOBSA-N 467.412 7.403 50 10 JKGE Cc1cc(Br)c(F)c(Br)c1[C@@H](Br)[C@@]12CC[C@@H](CO1)C2 2339683427 CWAYYYLQCUCCEN-WZYXQFPFSA-N 456.975 5.664 50 10 JKGE CC(C)(C)Oc1ccc([C@H](Br)C2(Br)CCC2)cc1Br 2353075104 XNUJPEWKSVABRV-ZDUSSCGKSA-N 455.028 6.380 50 10 JKGE C[C@]1(C(F)(F)F)C[C@@H]1[C@H](Cl)c1c(Cl)cc(Br)c(F)c1Br 2362239139 KVWFOENMRNXQGD-WDDAIFGJSA-N 458.902 6.873 50 10 JKGE C[C@@H]1CCCC[C@@]12[C@@H](Oc1cc(Br)cc(Br)c1)C[C@H]2Br 2364104515 RYYRJCJYYLAPJH-HGGPSHQYSA-N 467.039 6.323 50 10 JKGE COc1c(Br)cc(C)c([C@H](Br)[C@H]2C(C)(C)C2(F)F)c1Br 2365236021 NAZYWSHOTDSPBP-JQWIXIFHSA-N 476.981 6.256 50 10 JKGE Cc1ccc(CBr)c(N(C)Cc2c(Br)cccc2Br)c1 2366160866 LRIUMDKOLVUCEK-UHFFFAOYSA-N 462.023 6.051 50 10 JKGE C=CCn1c(SCC(=O)N/N=C/C=C/c2ccccc2)nc2scc(-c3ccccc3)c2c1=O 9041506 XUGUFGCFRKZBKA-BQZGYUKESA-N 486.622 5.219 50 10 JKGE O=C(CSc1nc2ccccc2[nH]1)N/N=C/c1ccccc1OCc1c(Cl)cccc1Cl 32519936 HOZVCRBGKBHKSV-RPPGKUMJSA-N 485.396 5.691 50 10 JKGE CCCCCCOc1ccc(/C=N/NC(=O)CSc2nc3ccccc3s2)cc1OCC 32520510 FNGIEVKZRGXRTA-PCLIKHOPSA-N 471.648 5.897 50 10 JKGE CCOC(=O)c1c(-c2ccc(Br)cc2)csc1NC(=O)/C(C#N)=C\c1ccc(O)cc1 33888924 PZERULUEGFFMGC-WJDWOHSUSA-N 497.370 5.606 50 10 JKGE CCCCCCN1C(=O)C(C#N)=C(C)/C(=C\c2ccc(-c3cc(Cl)ccc3Cl)o2)C1=O 38604143 OBKXMDIXXJKGGA-QGOAFFKASA-N 457.357 6.426 50 10 JKGE Cc1ccc(C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@@H]3c2ccccc2Br)cc1 38678438 UNJMRBUZUIMLMJ-JOCHJYFZSA-N 461.315 5.195 50 10 JKGE Cc1cccc(OCC(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@H]3c2c(F)cccc2Cl)c1C 38680544 DJJXOIJAOCTXHF-DEOSSOPVSA-N 478.907 5.299 50 10 JKGE CCCOc1ccccc1[C@@H]1C(C#N)=C(N)Oc2cc(OC(=O)COc3cccc(C)c3C)ccc21 38681717 RPZBLJJEKZFOKP-NDEPHWFRSA-N 484.552 5.295 50 10 JKGE CCCCOc1cccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)COc4ccc(C)cc4)ccc32)c1 38685094 OUNLSHQLCRZHQT-NDEPHWFRSA-N 484.552 5.377 50 10 JKGE Cc1ccc2c(C)c(C(=O)Oc3ccc4c(c3)OC(N)=C(C#N)[C@H]4c3ccc(C(C)(C)C)cc3)oc2c1 38687156 LEIRPTRTYRVHTQ-MHZLTWQESA-N 492.575 6.785 50 10 JKGE CCCCCCOc1ccc(/C=N/NC(=O)COc2c(C)cc(Br)cc2C)cc1 40888896 OYTCJWJCXRMOML-MFKUBSTISA-N 461.400 5.554 50 10 JKGE O=C(N/N=C/c1cc(Cl)c(O)c(Br)c1)c1cc2cc(Br)ccc2o1 59303654 HYVNMOUEKNGWTA-IFRROFPPSA-N 472.520 5.081 50 10 JKGE CSc1cccc(N/C(SCc2cc(C)ccc2C)=C(\C#N)S(=O)(=O)c2ccccc2)c1 96482164 HERRRZOYVHBZCW-IZHYLOQSSA-N 480.680 6.537 50 10 JKGE N#C/C(=C/c1c(OCc2ccccc2Cl)ccc2ccccc12)C(=O)Nc1ccc([N+](=O)[O-])cc1O 97994794 YPVZUTDJGUXRGX-UYRXBGFRSA-N 499.910 6.232 50 10 JKGE CCOc1ccc(N2C(=O)[C@@H](Cc3ccccc3)S/C2=C(/C#N)C(=O)N[C@H](C)c2ccccc2)cc1 101243799 QLESHEFLPOKSLV-DHJGIYNASA-N 497.620 5.389 50 10 JKGE O=C(Nc1ccc(CCBr)cc1)c1cc(Br)c(Br)s1 121936730 GNTVUWDJDLGZRR-UHFFFAOYSA-N 468.008 5.463 50 10 JKGE Cc1ccccc1C(CBr)(CBr)Cc1cccc(F)c1Br 157924520 RNJUWMGUMKLRFD-UHFFFAOYSA-N 479.025 6.167 50 10 JKGE COc1cc(Cl)c([C@H](Br)c2ccc(Br)cc2Cl)cc1Cl 164521165 ZYSRUGNCWKOHFD-CQSZACIVSA-N 459.392 6.902 50 10 JKGE C=CCOc1ccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)/C=C\c4ccccc4)ccc32)cc1OC 205654286 RWBXAKZNMYSWQY-MWZVXJTDSA-N 480.520 5.097 50 10 JKGE N#C/C(=C/Nc1ccc(N2CCCCC2)cc1)C(=O)Nc1ccccc1Sc1ccccc1 217243725 CVVRTCSSXVZURQ-MRCUWXFGSA-N 454.599 6.286 50 10 JKGE Brc1ccc(I)c([C@H](Br)c2ccc3c(c2)COC3)c1 232452506 WXSITRSPDYRXIA-OAHLLOKOSA-N 493.964 5.568 50 10 JKGE CCOc1ccc(Br)cc1[C@H](Cl)c1cccc(C)c1I 233785681 SMUZPSVBOLUBRZ-OAHLLOKOSA-N 465.556 6.089 50 10 JKGE COc1ccc(OC)c([C@H](Br)c2cc(Br)cc(Br)c2)c1 234979780 ZAIYQGWMSBQYPD-OAHLLOKOSA-N 464.979 5.713 50 10 JKGE Clc1ccc([C@@H](Br)c2ccc(Br)cc2Br)cc1Cl 236062457 DCMKSAAXJZLOIK-CYBMUJFWSA-N 473.817 7.003 50 10 JKGE O=C(NN=Cc1ccc(Cl)s1)c1ccc(-n2c(-c3ccccc3)ccc2-c2ccccc2)cc1 252623315 OOJSJZPKGONIMH-UHFFFAOYSA-N 482.008 7.290 50 10 JKGE Cc1ccc(N=Nc2ccc(O)c(C=NNC(=O)[C@@H]3C[C@H]3c3ccc(C(C)(C)C)cc3)c2)cc1C 254594389 DGODHGMOKOFVQE-IZZNHLLZSA-N 468.601 6.976 50 10 JKGE CC(=NNC(=O)c1cc(-c2ccc(Br)cc2)nc2ccccc12)c1ccc(O)cc1O 254627211 PZFITMAEVICDJP-UHFFFAOYSA-N 476.330 5.230 50 10 JKGE Fc1ccc([C@H](Cl)c2cc3c(cc2Br)OCC3)c(I)c1 308436272 OFOZOBMDMPCARC-HNNXBMFYSA-N 467.503 5.456 50 10 JKGE Cc1ccc(Br)c([C@@H](Br)c2scc(C(F)(F)F)c2Br)c1 312225504 AAFNXIAXLKZAOP-SNVBAGLBSA-N 492.980 7.085 50 10 JKGE Cc1ccc([C@@H]2CN(C(=O)OC(C)(C)C)C[C@H]2CI)c(Br)c1 382698891 ZVOLOYUCVMFDOT-TZMCWYRMSA-N 480.184 5.143 50 10 JKGE CC(C)(C)OC(=O)N1C[C@@H](CBr)[C@H](c2cc(Br)ccc2Cl)C1 382701792 ZOKQFZFQEXEZTN-ZWNOBZJWSA-N 453.602 5.448 50 10 JKGE CC1(C)C[C@H](Br)CCN(C(=O)c2cc(Br)ccc2Br)C1 395356266 VEAVSHXTNRAHJG-LLVKDONJSA-N 468.027 5.237 50 10 JKGE CCCOc1ccc([C@@H](Br)c2cscc2Br)cc1Br 404786561 YQEZQLZHJHVQBD-CQSZACIVSA-N 469.036 6.546 50 10 JKGE CC(C)(C)[Si](C)(C)OCCc1ccc(C2CCN(CCO[Si](C)(C)C(C)(C)C)CC2)cc1 616620337 WGPBUGDQLOVZIW-UHFFFAOYSA-N 477.882 7.452 50 10 JKGE CC(C)(C)[Si](C)(C)OCCN1CCCC[C@@H]1c1ccccc1CO[Si](C)(C)C(C)(C)C 616626765 XAUOSGHUULVDPY-XMMPIXPASA-N 463.855 7.757 50 10 JKGE Cc1cc(C)c([C@H](Cl)c2scc(Br)c2Br)c(C)c1Br 705465280 LYXVCDLLBOLGDZ-ZDUSSCGKSA-N 487.482 7.289 50 10 JKGE C[C@H](Cl)c1nc2cc(I)c(F)cc2n1C[C@@H]1CCN1Cc1ccccc1 716226677 GJGOVOQHLLNPOC-ZFWWWQNUSA-N 483.756 5.354 50 10 JKGE FC(F)(F)c1cscc1[C@H](Br)c1cc(Br)ccc1Br 717175505 XPJBYYAWQOAHGQ-LLVKDONJSA-N 478.953 6.776 50 10 JKGE Clc1cccc(C[C@@H](CBr)c2cccc(Br)c2)c1Br 719418572 CKOSXVBZNQXXHE-LBPRGKRZSA-N 467.426 6.586 50 10 JKGE O=C(COc1cc(Cl)cc(Cl)c1Cl)NN=Cc1cccn1-c1ccc(Cl)cc1 1084001929 SQFXDIARYKQNRT-UHFFFAOYSA-N 457.144 5.620 50 10 JKGE O=C(NN=Cc1cc(Br)c(O)c(Br)c1)C(c1ccccc1)c1ccccc1 1084017499 ACBUPGQLAWGSIG-UHFFFAOYSA-N 488.179 5.199 50 10 JKGE COc1cc(OC)cc(C(=O)NN=Cc2cccc(OCc3ccc(Cl)cc3Cl)c2)c1 1084099715 XGIFDAHAPLNBGE-UHFFFAOYSA-N 459.329 5.354 50 10 JKGE CC(=NNC(=O)COc1ccc(C(C)C)cc1Br)c1ccc(-c2ccccc2)cc1 1084155551 QVVAIFSNCTTWPN-UHFFFAOYSA-N 465.391 6.159 50 10 JKGE Cc1cc(C=NNC(=O)c2ccc(CSc3ccccc3)cc2)c(C)n1-c1ccc(Cl)cc1 1084193631 XLYUPHIRQFUJHE-UHFFFAOYSA-N 474.029 6.804 50 10 JKGE Cc1cccc(C)c1NC(=O)C(=O)NN=Cc1cccc(OCc2c(Cl)cccc2Cl)c1 1084538396 HZMQXXISQVFCHT-UHFFFAOYSA-N 470.356 5.278 50 10 JKGE O=C(NN=C1C(=O)N(Cc2c(Cl)cccc2Cl)c2ccccc21)c1ccccc1Cl 1084630999 DXRDEHRXSYJWQI-UHFFFAOYSA-N 458.732 5.328 50 10 JKGE Cc1ccc(C)c(-n2c(C)c(Br)c(C=NNC(=O)CSCc3ccccc3)c2C)c1 1084639723 JPXVJABFNFWKKV-UHFFFAOYSA-N 484.463 5.857 50 10 JKGE Cc1ccc(-n2c(S[C@H](C)C(=O)C(C#N)=C3Nc4ccccc4N3)nc3ccccc3c2=O)cc1 1087641294 VVVMDALMKQQIQO-QGZVFWFLSA-N 479.565 5.017 50 10 JKGE O=C(OCc1ccccc1)N1C[C@@H](CI)[C@H](c2ccc(C(F)(F)F)cc2)C1 1614805849 LAWFJQVYMYPZSI-AEFFLSMTSA-N 489.275 5.493 50 10 JKGE Cc1c(C(=O)Oc2ccc(Cl)cc2Cl)oc2c1C(=NNC(=O)c1ccc(F)cc1)CCC2 1772744652 GNINIISLWAPKFH-UHFFFAOYSA-N 475.303 5.724 50 10 JKGE CCOc1cc([C@@H]2C(C#N)=C(N)Oc3c2c(-c2ccccc2)nn3Cc2ccccc2F)ccc1O 1865681547 QFPDTGYLTPWYMX-XMMPIXPASA-N 482.515 5.060 50 10 JKGE CCc1nn(C)c2c1[C@@H](c1ccc(OCc3c(Cl)cccc3Cl)c(OC)c1)C(C#N)=C(N)O2 1865689238 NCCYIIJSTRJQFJ-NRFANRHFSA-N 485.371 5.095 50 10 JKGE CCOc1cc([C@H]2C(C#N)=C(N)Oc3c2c(-c2ccccc2)nn3CC)ccc1OCc1ccccc1 1865694245 RPQUJZWCLRDJAW-SANMLTNESA-N 492.579 5.766 50 10 JKGE CCOc1ccc([C@H]2C(C#N)=C(N)Oc3c2c(-c2ccccc2)nn3-c2ccccc2Cl)cc1OC 1865695422 ONLWVKAUKKAKPF-DEOSSOPVSA-N 498.970 5.818 50 10 JKGE CC(C)(C)N1C(=O)c2ccc(/C(O)=C(\C#N)c3nc(-c4c[nH]c5ccccc45)cs3)cc2C1=O 1872753031 DSOXMCPWLYKUPH-PYCFMQQDSA-N 468.538 5.636 50 10 JKGE COc1cc(C)c(-c2csc(/C(C#N)=C(\O)[C@H](C)Oc3ccccc3C(C)C)n2)cc1C(C)C 1872753990 XMTBCHVKZSBXNS-MKNVGELUSA-N 476.642 7.634 50 10 JKGE CCOc1ccc(OCC)c(-c2csc(/C(C#N)=C(\O)c3cc(OC)c(OC)c(OC)c3)n2)c1 1872754599 ACICLFQIPFYYGA-NKFKGCMQSA-N 482.558 5.583 50 10 JKGE COc1cc(C)c(-c2csc(/C(C#N)=C(\O)c3c(Cl)ccc(Cl)c3OC)n2)cc1C 1872758178 OJPUHBKSCBWMBU-ZHZULCJRSA-N 461.370 6.701 50 10 JKGE CCN(Cc1ccccc1)c1ccc(/C=C(\C#N)c2nc(-c3ccccc3Cl)cs2)cc1 1872781225 ZFNIHKXYEYYYRY-CJLVFECKSA-N 456.014 7.554 50 10 JKGE C[C@](CCl)(CI)OCc1cc(Br)cc(Br)c1 1900367799 RUXBBNDFZHCFKS-NSHDSACASA-N 482.381 5.161 50 10 JKGE O=C(N[C@@H](CCCl)COCc1ccccc1)c1cc(Br)c(Br)s1 1902914558 UJNZWHRVTAJAIV-LBPRGKRZSA-N 481.637 5.217 50 10 JKGE O=C(N[C@H](CCCl)COCc1ccccc1)c1csc(Br)c1Br 1902928068 SLMYKEYWSHGHBS-GFCCVEGCSA-N 481.637 5.217 50 10 JKGE C[C@]1(C(F)(F)F)C[C@@H]1[C@H](Br)c1sc(Br)cc1Br 1906302366 RWIQLYAKGNHXRR-JWCJDBHTSA-N 456.947 6.298 50 10 JKGE O=S(=O)(c1ccc(Cl)cc1C(F)(F)F)N(CCCBr)Cc1ccccc1 1914652890 KISXAJCSQWGEFA-UHFFFAOYSA-N 470.738 5.335 50 10 JKGE CC[C@@H](Cl)CN(Cc1ccccc1)C(=O)c1cc(Br)c(Br)s1 1915091440 XMWVLFQZMFPAEO-GFCCVEGCSA-N 465.638 5.933 50 10 JKGE C[C@@H](CCBr)N(Cc1ccccc1)C(=O)c1ccc(Br)c(Cl)c1 1915131172 UBWHHEFMMWTPGZ-ZDUSSCGKSA-N 459.609 5.918 50 10 JKGE CC(C)(CCl)N(Cc1ccccc1)C(=O)c1cc(Br)c(Br)s1 1915771544 OIJPVKUYBOJPHK-UHFFFAOYSA-N 465.638 5.933 50 10 JKGE Brc1cc(Br)c([C@H](Br)[C@]23CCCC[C@@H]2CCC3)s1 1922893273 FHMQNLCUTMHMFY-IIMNLJJBSA-N 457.069 7.070 50 10 JKGE Cc1csc([C@@H](Br)c2c(Br)sc(Br)c2Cl)c1Cl 1923048778 IZKQOFSJRBPYCF-YFKPBYRVSA-N 499.902 7.434 50 10 JKGE CC1(C)C[C@@H]1C[C@@H](Br)c1c(Br)sc(Br)c1Cl 1923067380 BSPDPGLYHPPHAH-NTSWFWBYSA-N 451.449 6.799 50 10 JKGE Cn1cc(Cl)c([C@H](Br)c2c(Br)sc(Br)c2Cl)n1 1923070486 BGGHNTCBOSEDGI-RXMQYKEDSA-N 483.838 5.798 50 10 JKGE FC1(F)[C@@H]([C@@H](Br)c2c(Cl)sc(Br)c2Cl)C12CCCC2 1925567542 VZOHSDYSLWFOKW-XPUUQOCRSA-N 454.989 7.079 50 10 JKGE CCc1sc(Br)cc1[C@H](Br)c1scc(C)c1Br 1950882009 NVHUWHLSQUHEET-NSHDSACASA-N 459.066 6.690 50 10 JKGE C[C@]1(C(F)F)C[C@H]1[C@H](Br)c1c(Br)sc(Br)c1Cl 2008185387 DAWDCWXVRWFMHE-IBGZTRGUSA-N 473.402 6.654 50 10 JKGE CCc1sc(Br)cc1[C@@H](Cl)c1c(Br)cccc1Br 2033090267 CKXYMRFFHJFTQA-CYBMUJFWSA-N 473.455 6.926 50 10 JKGE CC[C@@H]1CN(C(=O)OCc2ccccc2)[C@H](CC)CN1C[C@@H](CBr)CC1CC1 2050057436 PDJZUPXDSCKDAD-YPAWHYETSA-N 451.449 5.309 50 10 JKGE Cc1c(Br)sc([C@H](Br)[C@@H]2[C@H]3CCC(F)(F)[C@@H]32)c1Br 2051237413 CQKOSWPRMOBPCQ-JAGXHNFQSA-N 464.995 6.309 50 10 JKGE C[C@@H](CCCCCI)NC(=O)c1cccc(OCc2ccccc2)c1 2054156147 WLULYXJXPXCZOJ-KRWDZBQOSA-N 451.348 5.379 50 10 JKGE C[C@@]12CC[C@@]([C@@H](Cl)c3c(Br)sc(Br)c3Br)(CO1)C2 2058138886 JWXZFYAPRVRGEE-UWJYBYFXSA-N 479.459 6.275 50 10 JKGE Cc1cc(C)c(Cn2nc(CBr)c(I)c2C(F)(F)F)c(C)c1 2079245327 BPGUSEKNVSKZGZ-UHFFFAOYSA-N 487.101 5.375 50 10 JKGE FC(F)(F)C(F)(F)C[C@H](Br)c1ccc(Br)cc1Br 2083317854 KCXMXCCGGKKGDY-QMMMGPOBSA-N 460.860 6.235 50 10 JKGE Cc1c(Br)ccc([C@@H](Br)c2nn(C)cc2Cl)c1Br 2083330206 LZAINSOIICHRDT-LLVKDONJSA-N 457.391 5.391 50 10 JKGE Brc1ccc(CN2CC[C@@H]3C[C@@H](Br)CC[C@H]32)c(Br)c1 2092262067 WHHJJNQLDZBQDG-IFUGULHKSA-N 452.028 5.350 50 10 JKGE CC(C)(C)C[C@@H](Br)CNC(=O)c1cccc(Br)c1Br 2092341169 YOLFMWZWZWEGTB-SECBINFHSA-N 456.016 5.141 50 10 JKGE Fc1cc(Br)c(Cl)cc1[C@H](Cl)c1c(Br)cccc1Br 2094091849 YQWIYTOCRLZBNC-ZDUSSCGKSA-N 491.807 7.095 50 10 JKGE CC1(C)CCC[C@]1(CBr)NC(=O)c1csc(Br)c1Br 2094151141 LAPLUZQXQKAMGP-CYBMUJFWSA-N 474.056 5.347 50 10 JKGE FC1(F)CCCCC[C@@H]1[C@H](Br)c1c(Cl)sc(Br)c1Cl 2108666223 UVEVFQDKCDWJEY-SVRRBLITSA-N 457.005 7.469 50 10 JKGE Clc1c(Br)sc(Br)c1[C@H](Br)[C@H]1CCn2nccc2C1 2108964240 BSZFBLNIBPLERJ-IMTBSYHQSA-N 489.458 5.822 50 10 JKGE CCCC(CBr)(CCC)CN=[S@@](C)(=O)CCCCNC(=O)OC(C)(C)C 2110303726 MNAICXAXPVWALG-SANMLTNESA-N 455.503 5.371 50 10 JKGE ClCc1ccc(Br)c(Cl)c1N1CC[C@@H]2CN(Cc3ccccc3)C[C@H]2C1 2112432391 XRKKPGDVTOBUEF-MSOLQXFVSA-N 454.239 5.800 50 10 JKGE Clc1ccc(I)c(CN(CCBr)Cc2cccs2)c1 2114660024 QDVCEADOQNGRAX-UHFFFAOYSA-N 470.601 5.403 50 10 JKGE C[C@@H]1Cc2cc(Br)cc([C@H](Br)c3cc(Br)cs3)c2O1 2115939128 AMQWPIMCSBMXNY-UHLUBPPHSA-N 467.020 6.081 50 10 JKGE FC(F)c1cccc([C@H](Cl)c2c(Br)sc(Br)c2Cl)c1 2115949533 VCSQRDNPXGTNBT-QMMMGPOBSA-N 450.957 7.192 50 10 JKGE C[C@@H](CCCCCBr)NC(=O)c1cccc(Br)c1Br 2117889461 VRCCHEXNMUWTEX-JTQLQIEISA-N 456.016 5.285 50 10 JKGE CC(C)(C)[C@H]1[C@@H](Br)CCN1C(=O)c1csc(Br)c1Br 2128677757 CRPARLRXIBSJAZ-WCBMZHEXSA-N 474.056 5.297 50 10 JKGE FCCOc1ccccc1[C@@H](Br)c1sc(Br)cc1Br 2132981258 MIANOAZFGFREIT-GFCCVEGCSA-N 472.999 6.106 50 10 JKGE Cc1cc([C@@H](Br)c2c(C)c(Br)cc(C)c2Br)c(C)o1 2136379023 HHVVCHRAXQOPQW-OAHLLOKOSA-N 450.996 6.523 50 10 JKGE Clc1cc(C[C@H]2CCCCCCC[C@H]2Br)ccc1I 2142952712 JYZBSIFZKWRHIF-ZIAGYGMSSA-N 455.605 6.611 50 10 JKGE CCCC(CBr)(CCC)Cn1nc(CC)c(I)c1CC 2150311579 NMABYESOIYEVFY-UHFFFAOYSA-N 455.222 5.594 50 10 JKGE Cc1csc([C@H](Br)c2cc(Br)cc3c2OCCC3)c1Br 2157029045 GPXVQQJAOBNOKL-CYBMUJFWSA-N 481.047 6.391 50 10 JKGE CCc1nsc(CC(CBr)(CBr)c2ccc(Br)cc2)n1 2158915355 UAYMODKEPIJMJC-UHFFFAOYSA-N 483.067 5.133 50 10 JKGE Cn1nc([C@@H](Br)c2cc(Br)cc3c2OCC3)c(Br)c1Cl 2167049654 GNMVOVJRINTAQW-VIFPVBQESA-N 485.401 5.018 50 10 JKGE CN(Cc1ccccc1)C1(Cn2c(CCl)nc3cc(Cl)c(Br)cc32)CCC1 2169009005 XNDLHEKAPNLQGG-UHFFFAOYSA-N 467.238 6.246 50 10 JKGE C[C@H](Cl)c1nc2cc(Cl)c(Br)cc2n1CC[C@@H](C)N(C)Cc1ccccc1 2169011015 ODERKUXHYQRHOS-CABCVRRESA-N 469.254 6.663 50 10 JKGE FC(F)(F)C1([C@@H](Br)c2c(Cl)sc(Br)c2Cl)CCOCC1 2173210151 HEMQHABSJLWELA-ZETCQYMHSA-N 476.967 6.613 50 10 JKGE COC[C@@H]1CC[C@@H](COc2c(Br)cc(CBr)cc2Br)C1 2181928135 XQPASDUFLBTUPL-GHMZBOCLSA-N 471.027 5.548 50 10 JKGE Cc1cc(Br)c(C)c([C@H](Br)C23CCC(F)(CC2)C3)c1Br 2201076791 ZBWWEILBOSCGBC-FHERZECASA-N 469.030 6.937 50 10 JKGE Clc1cc(CN2CC3(CCC3)CC[C@H]2CBr)ccc1I 2208036465 NLSNZZLHDZXCIO-ZDUSSCGKSA-N 468.604 5.474 50 10 JKGE Cc1sc([C@H](Cl)c2sc(Br)c(C)c2Br)cc1Br 2213746159 GMMFREZQOWPODA-VIFPVBQESA-N 479.484 7.042 50 10 JKGE CC1(C)CCCC[C@@H]1[C@@H](Br)c1c(Br)cc(Cl)c(Cl)c1Cl 2232514363 UUPKYXUEUJAHAF-PRHODGIISA-N 463.468 8.062 50 10 JKGE C[C@H](Cl)c1nc2cc(F)c(Br)cc2n1C[C@H]1CC1(Br)Br 2233041656 UKARYEJVBQMKAZ-NKWVEPMBSA-N 489.408 5.744 50 10 JKGE Brc1cccc([C@H](Br)c2ccc([C@@H]3CCOC3)s2)c1Br 2240434999 VOAUTFWHEYOQON-PSLIRLAXSA-N 481.047 6.261 50 10 JKGE Cc1cc(Br)c([C@H](Br)[C@H]2OCC[C@H]2C(F)(F)F)cc1Br 2240538550 WYOCZHJTBSMOEJ-ZHAHWJHGSA-N 480.944 5.923 50 10 JKGE COc1sc([C@@H](Br)c2cccc(Cl)c2Br)cc1Br 2256136726 LSTHFEYUCVKPMU-NSHDSACASA-N 475.427 6.419 50 10 JKGE Cc1sc(C)c([C@@H](Br)c2ccc(Cl)c(I)c2)c1C 2256339786 XMWTYEUUQKJXFO-AWEZNQCLSA-N 455.586 6.416 50 10 JKGE Fc1cc(Br)c(F)c(Br)c1[C@H](Cl)c1nscc1Br 2260082555 DSEABPAQNSDNPC-QMMMGPOBSA-N 482.369 6.037 50 10 JKGE Cc1cc(Cl)c(Cl)cc1[C@@H](Br)c1cccc(F)c1I 2264372595 ALDOJVMRAJANER-ZDUSSCGKSA-N 473.938 6.530 50 10 JKGE FC(F)(F)c1csc([C@@H](Cl)c2scc(Br)c2Cl)c1Br 2264590585 ITXWWMUNXPNJDI-SSDOTTSWSA-N 474.976 7.335 50 10 JKGE CC(C)c1cc(Br)cc(C(=O)N(C)C[C@@H](Br)COCc2ccccc2)c1 2265990668 RGIQRGUAYVKHEI-HXUWFJFHSA-N 483.244 5.625 50 10 JKGE Cc1c(Br)sc([C@@H](Cl)c2cc(F)c(Br)cc2F)c1Br 2267241007 FKSKFQWXFBWLPX-JTQLQIEISA-N 495.408 6.950 50 10 JKGE Fc1cc([C@@H](Cl)c2cc(Br)ccc2Br)c(Cl)cc1Br 2267747597 XRJJSEPHZCFEFN-ZDUSSCGKSA-N 491.807 7.095 50 10 JKGE Cc1sc(Br)c(C)c1[C@@H](Br)c1cc(F)c(Br)cc1Cl 2267748043 DHYBBLKBPRLEDY-LBPRGKRZSA-N 491.445 7.167 50 10 JKGE Cc1cc(Br)c(CCl)c(Oc2cc(I)ccc2Cl)c1 2272632291 DYLSHYLJWCYLFB-UHFFFAOYSA-N 471.947 6.547 50 10 JKGE CCCc1ccc([C@H](Br)Cc2cc(Br)cc(Br)c2)s1 2277887379 DEFGROWYRHNCBW-CQSZACIVSA-N 467.064 6.904 50 10 JKGE Fc1cc(Br)c(F)c(Br)c1[C@H](Br)C(F)(F)[C@H]1CCOC1 2288364657 UHPBQPCWEKYJAS-DYEAUMGKSA-N 484.907 5.598 50 10 JKGE CC[C@@H](C[C@@H](Br)c1c(F)cc(Br)c(F)c1Br)C(C)(C)C 2288496209 FFVMJZCQWUCQRA-DTWKUNHWSA-N 477.025 7.388 50 10 JKGE N#CC(=Cc1cccc(OCc2c(Cl)cccc2Cl)c1)C(=O)NCc1ccc2c(c1)OCO2 2295672680 QETDMTPKICNUNW-UHFFFAOYSA-N 481.335 5.524 50 10 JKGE COc1cc(C=C(C#N)c2nc(-c3ccc(Br)cc3)cs2)cc([N+](=O)[O-])c1O 2296790239 YQORPJZLRSLFHK-UHFFFAOYSA-N 458.293 5.259 50 10 JKGE N#CC(=CNc1ccc(Oc2ccccc2)cc1)c1nc(-c2ccc(Br)cc2)cs1 2296800651 LOZSPMZCAYUGEK-UHFFFAOYSA-N 474.383 7.341 50 10 JKGE CCc1cscc1[C@H](Br)c1cc(Br)ccc1OCc1ccccc1 2299504008 KAEJHRYRHKCPTD-HXUWFJFHSA-N 466.238 7.136 50 10 JKGE Brc1ccc(OCc2ccccc2)c([C@@H](Br)[C@H]2CC[C@@H]3C[C@@H]3C2)c1 2299504844 QNCRNSQIMYSDNW-WOYCLPQFSA-N 450.214 6.900 50 10 JKGE Cc1cc([C@@H](Cl)c2cc(Br)ccc2OCc2ccccc2)c(Br)s1 2299506810 CKSHISBPEBLTIQ-SFHVURJKSA-N 486.656 7.489 50 10 JKGE COC[C@]1(C)C[C@H]1[C@H](Br)c1cc(Br)ccc1OCc1ccccc1 2299527907 MZWFVGZTLHQEJA-SXLOBPIMSA-N 454.202 6.137 50 10 JKGE COc1ccc([C@H](Br)c2cc(Br)ccc2OCc2ccccc2)s1 2299531596 XILQPWFMXYVSQY-LJQANCHMSA-N 468.210 6.583 50 10 JKGE Brc1ccc(OCc2ccccc2)c([C@H](Br)[C@@H]2[C@@H]3CCCO[C@H]32)c1 2299536496 ZBSJQMNJTKBSOF-MVJPYGJCSA-N 452.186 5.889 50 10 JKGE Cc1ccc(C[C@H](Br)c2cc(Br)ccc2OCc2ccccc2)cc1 2314448901 LPLYGVYFEZFGSI-NRFANRHFSA-N 460.209 7.015 50 10 JKGE CCCSc1ccc(-c2nn(-c3ccccc3)cc2C=C(C#N)C(=O)NCc2ccccc2)cc1 2314478757 UNLUJPXNSFLFGU-UHFFFAOYSA-N 478.621 6.265 50 10 JKGE CCc1ccc(Oc2nc3c(C)cccn3c(=O)c2C=C(C#N)C(=O)Nc2ccc(C)c(C)c2)cc1 2314531709 DCNDCLJSPNHQGE-UHFFFAOYSA-N 478.552 5.520 50 10 JKGE Cc1ccc(NC(=O)C(C#N)=C2S[C@@H](Cc3ccccc3)C(=O)N2c2ccc(C)c(C)c2)cc1 2314592444 UDVDTYCZOXZMPN-VWLOTQADSA-N 467.594 5.677 50 10 JKGE Cc1ccc(N2C(=O)[C@@H](Cc3ccccc3C)SC2=C(C#N)C(=O)N[C@@H](C)c2ccccc2)cc1C 2314593612 PXGVKFLNQPZBBW-WXVAWEFUSA-N 495.648 5.916 50 10 JKGE Fc1cc(F)c([C@H](Br)c2cnsc2Br)c(F)c1Br 2315619856 NRGCZZWMKZWTMW-SSDOTTSWSA-N 465.914 5.570 50 10 JKGE CCCc1sc(Br)cc1[C@H](Br)c1c(C)nsc1Br 2316169186 CBOPBRHPNXONFM-NSHDSACASA-N 474.081 6.475 50 10 JKGE C[C@]1([C@@H](Br)c2sc(Cl)cc2I)CCCC(F)(F)C1 2316597463 RXLBCBRMJNZOBS-QWRGUYRKSA-N 469.560 6.658 50 10 JKGE COc1cc(C=C(C#N)c2ccccc2F)ccc1OC(=O)COc1ccc(Cl)cc1Cl 2320506693 PJLZQHKLSFEKIF-UHFFFAOYSA-N 472.299 6.190 50 10 JKGE CC(=NNC(=O)c1ccc(-c2ccc(Cl)cc2Cl)nc1C)c1ccc2c(c1)OCCO2 2321275945 OOLGOWNAHNVOOS-UHFFFAOYSA-N 456.329 5.289 50 10 JKGE CCCCOc1ccc(C(O)=C(C#N)c2nc(-c3ccc(Br)cc3)cs2)cc1OCC 2331259995 CKNGIBMZPFMKJJ-UHFFFAOYSA-N 499.430 7.100 50 10 JKGE N#CC(=C(O)C=Cc1ccc(OCc2ccccc2)cc1)c1nc(-c2ccc(Cl)cc2)cs1 2331300526 NSSAJKAWDFPYBR-UHFFFAOYSA-N 470.981 7.549 50 10 JKGE CC(C)c1ccc(-c2csc(C(C#N)=C(O)c3ccc(N4C(=O)c5ccccc5C4=O)cc3)n2)cc1 2331340166 NOGXWCUGIWENRE-UHFFFAOYSA-N 491.572 6.684 50 10 JKGE CCc1nn(C)c([C@H](Cl)c2cc(Br)ccc2OCc2ccccc2)c1Br 2336041417 NUWTWLBTLRNNPA-LJQANCHMSA-N 498.646 6.415 50 10 JKGE Brc1ccc(OCc2ccccc2)c([C@H](Br)[C@H]2C[C@H]2C2CCCCC2)c1 2336075384 OZISRJVTPXAPDJ-SXWKCWPCSA-N 478.268 7.681 50 10 JKGE Fc1c(Br)cc(Cl)c([C@@H](Br)C2(C(F)(F)F)CC2)c1Br 2337083149 VHQHWQAIIPYXKX-SECBINFHSA-N 489.326 6.783 50 10 JKGE C[C@H](C[C@H](Br)c1c(Cl)cc(Br)c(F)c1Br)C(C)(C)C 2337115348 ZUYYCRRMXWCOIS-SFYZADRCSA-N 479.453 7.512 50 10 JKGE Cc1cc([C@@H](Br)c2c(Br)c(Br)nn2C)cc(C)c1F 2338722877 RHRSGDCOMGWASN-SECBINFHSA-N 454.963 5.185 50 10 JKGE CCCCO[C@@H]1[C@H](Br)C[C@H]1Oc1cc(Br)cc(Br)c1 2338761519 YLIGERQIBDOZPD-MGPQQGTHSA-N 457.000 5.312 50 10 JKGE COc1cc(OC)cc([C@H](Br)c2sc(Cl)cc2I)c1 2338774278 WMXAHSHRZOKJRL-LBPRGKRZSA-N 473.557 5.508 50 10 JKGE Cc1cc(Br)c(F)c(Br)c1[C@@H](Br)[C@H](C)C1CCCC1 2339654888 VKRZTIWWKDFXIS-RNCFNFMXSA-N 457.019 6.921 50 10 JKGE Cc1cc(Br)c(F)c(Br)c1[C@H](Br)[C@H]1C[C@H]1C1CCC1 2339658476 IOZOPXBIIJZMQD-OUJBWJOFSA-N 455.003 6.531 50 10 JKGE CC(C)[C@@H]1CC[C@@H](Br)[C@H](Cc2ccc(Cl)cc2I)C1 2341028123 RVBMGTTVUQGILN-OSAQELSMSA-N 455.605 6.323 50 10 JKGE Clc1ccc(C[C@H]2CCCCCCC[C@@H]2Br)c(I)c1 2341050032 LUINWLBMJILEEZ-DOMZBBRYSA-N 455.605 6.611 50 10 JKGE CC1(C)CCC(CBr)(Cc2cc(I)ccc2Cl)CC1 2352348707 XEOFOLYUIAGRRQ-UHFFFAOYSA-N 455.605 6.469 50 10 JKGE O=S1(=O)CCCC[C@@H]1[C@@H](Br)c1c(F)cc(Cl)c(Br)c1Cl 2360427756 XESMBAXLNIMYRR-LDYMZIIASA-N 468.997 5.298 50 10 JKGE COc1c(F)c(F)cc([C@@H](Br)c2sc(Cl)cc2I)c1F 2363889042 ZZDZNUNFFYUGDV-MRVPVSSYSA-N 497.501 5.916 50 10 JKGE O=C(Nc1ccc(CBr)c(F)c1)c1c(Br)cccc1Br 2367679409 AQRKHYYJDUATDX-UHFFFAOYSA-N 465.942 5.498 50 10 JKGE CC(C)(C)OC(=O)N[C@@H]1CCN(C[C@](C)(CBr)C(C)(C)C)[C@@H](C(F)(F)F)C1 2380191382 OBSZGRMODBGHII-LBTNJELSSA-N 459.391 5.354 50 10 JKGE FC(F)(F)[C@@H]1C[C@H](Br)CCN1Cc1cc(I)ccc1Cl 2380515449 PVMYHZHTSZKFLO-SKDRFNHKSA-N 482.509 5.235 50 10 JKGE N#C/C(=C/c1cn(Cc2ccc(Cl)c(Cl)c2)c2ccccc12)C(=O)Nc1ccc(O)cc1 797863 ZWBJNFYRNOMEAJ-ATVHPVEESA-N 462.336 6.248 50 10 JKGE Cc1ccc(NC(=O)C(C#N)=C(SCc2cccc(Cl)c2)SCc2cccc(Cl)c2)cc1 3052457 SGOZCJJLHXUSNF-UHFFFAOYSA-N 499.488 7.842 50 10 JKGE N#C/C(=C/c1cc([N+](=O)[O-])ccc1Sc1ccc(Cl)cc1)S(=O)(=O)c1ccc(Cl)cc1 3135635 BYVFOKXVDATYFW-NDENLUEZSA-N 491.377 6.391 50 10 JKGE Cc1cc(Br)cc(Br)c1OCC(=O)N/N=C(/c1ccccc1)C(C)C 14645008 KLHKJHNHKLNNIX-PTGBLXJZSA-N 468.189 5.075 50 10 JKGE N#C/C(=C/c1ccc(I)cc1)c1nc(-c2ccc3c(c2)OCO3)cs1 33398877 NRXONLUVKUODMT-AUWJEWJLSA-N 458.280 5.208 50 10 JKGE O=C(NN(c1ccccc1)c1ccccc1)c1ccc(-n2nc(C(F)(F)F)c3c2CCCC3)cc1 33513846 BVQMXLBYIQJSFH-UHFFFAOYSA-N 476.502 6.253 50 10 JKGE N#C/C(=C/c1cc2ccccc2nc1Cl)c1nc(O)c2cc(I)ccc2n1 33690485 JYFQSLPZGMTTDZ-JYRVWZFOSA-N 484.684 5.206 50 10 JKGE Cc1c(Cl)cccc1NC(=O)/C(C#N)=C\c1cn(-c2ccccc2)nc1-c1ccc2c(c1)OCCO2 35086873 NVKQYBUTBVPHRM-ZHZULCJRSA-N 496.954 5.818 50 10 JKGE CCCCOc1cccc(C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@H]3c2ccc(F)cc2)c1 38653017 HLEQLJMRSHGHTN-VWLOTQADSA-N 458.489 5.442 50 10 JKGE O=C(NNC(=S)Nc1ccccc1Cl)c1ccc(-c2ccc(Cl)c(C(F)(F)F)c2)o1 39892576 LZMUNNXLCXUBAS-UHFFFAOYSA-N 474.291 5.904 50 10 JKGE COc1cc(/C=N/NC(=O)COc2ccc(C(C)(C)C)cc2)ccc1OCc1ccc(Cl)cc1 40911114 GSAVTDVLTPMROM-MUFRIFMGSA-N 480.992 5.754 50 10 JKGE CCCCCOc1ccc(/C=N/NC(=O)[C@@H](C)Oc2ccc(-c3ccccc3)cc2)cc1OC 40959615 IUZKJNHRDPHHMU-ZLGPJQJGSA-N 460.574 5.849 50 10 JKGE Fc1ccc(-n2c(CCl)nc3cc(I)ccc32)c(Br)c1 97353932 VOHZKLWCYQXGQV-UHFFFAOYSA-N 465.491 5.271 50 10 JKGE Cl[C@H](c1csc(I)c1)c1cc2c(cc1Br)OCCO2 124397321 TUSMSMBZOOIOCF-CYBMUJFWSA-N 471.541 5.215 50 10 JKGE COc1cc(C)c(Br)cc1[C@@H](Br)c1c(F)cc(Br)cc1F 127664439 NCFAIFHKYDXIKS-OAHLLOKOSA-N 484.960 6.291 50 10 JKGE Fc1ccc(C(F)(F)F)cc1[C@@H](Br)c1cc(Cl)c(Br)s1 128142510 XYYWQHKVFALSFX-SNVBAGLBSA-N 452.492 6.806 50 10 JKGE Cc1cc(Br)c([C@H](Cl)c2cc(F)ccc2Br)cc1Br 128651591 FUJHZAGAKSCZIY-CQSZACIVSA-N 471.389 6.750 50 10 JKGE Brc1cc([C@H](Br)c2ccc3c(c2)CCCO3)sc1Br 128870650 VUZYEQHGXYTAIV-CYBMUJFWSA-N 467.020 6.082 50 10 JKGE Cc1cc(Cl)c([C@H](Br)c2cc(Br)ccc2Br)cc1C 161119780 ZQXZLNBGWGUNMU-OAHLLOKOSA-N 467.426 6.966 50 10 JKGE COc1ccc(Br)cc1COc1c(C)cc(Br)cc1CBr 167015095 LGJIQFBQLQLMNW-UHFFFAOYSA-N 479.006 6.003 50 10 JKGE C=CCOc1ccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)/C=C\c4ccccc4)ccc32)cc1OC 205654259 RWBXAKZNMYSWQY-FWUNHMAASA-N 480.520 5.097 50 10 JKGE CC[C@H](C)c1ccc([C@H](Br)c2cc(Cl)ccc2I)cc1 234023730 ZMCHPRBOZDQTSU-GTNSWQLSSA-N 463.584 6.942 50 10 JKGE CN(Cc1csc(Br)c1)c1ccc(Br)cc1CBr 234316686 VRHXHGOOQZSWAQ-UHFFFAOYSA-N 454.025 5.804 50 10 JKGE CCCOc1ccc(Br)cc1C=NNC(=O)[C@H](C)Sc1nc2ccccc2s1 254304582 KVHRYRWEKRHRBE-ZDUSSCGKSA-N 478.437 5.479 50 10 JKGE CC(=NNC(=O)CCCOc1ccc(Cl)cc1Cl)c1ccc(NC(=O)c2ccncc2)cc1 254351680 UTBYGJCKMPUAOA-UHFFFAOYSA-N 485.371 5.340 50 10 JKGE CCCCCCCCCCCC(=O)NN=Cc1ccc(OC(=O)c2ccc(OCC)cc2)c(OC)c1 254703403 CXOYOJRURUBJIU-UHFFFAOYSA-N 496.648 6.684 50 10 JKGE CCCCOc1ccc(OCC(=O)NN=Cc2ccc(OC(=O)/C=C/c3ccccc3)cc2)cc1 254737186 VKNHPUOMNBZRKG-VXJLHEQPSA-N 472.541 5.013 50 10 JKGE CC(=NNC(=O)C(c1ccccc1)c1ccccc1)c1ccc(NC(=O)c2ccc(Cl)cc2)cc1 254743357 BSZRXYVXPKIHKN-UHFFFAOYSA-N 481.983 6.265 50 10 JKGE C[C@@H](Br)C[C@H]1CCCCN1C(=O)c1cc(Br)sc1Br 302603766 LPLSMUYZBGFZEQ-RKDXNWHRSA-N 474.056 5.441 50 10 JKGE O=C(CC[C@@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)Cl)OCc1ccccc1 307185765 SPNFCSPOTIXYAL-XMMPIXPASA-N 477.944 5.183 50 10 JKGE CC(C)(C)OC(=O)N1C[C@H](CCl)[C@H](c2cc(Cl)ccc2I)C1 382720389 NDSCGICXGQHWMH-GXFFZTMASA-N 456.151 5.134 50 10 JKGE C[C@@H](Cl)c1nc2cc(Br)c(F)cc2n1C[C@H]1CCCN1Cc1ccccc1 390549073 WVGFXPUFGZWAOW-GDBMZVCRSA-N 450.783 5.902 50 10 JKGE Fc1cc(Br)c([C@@H](Br)c2ccc(Br)cc2)c(F)c1F 398809072 WZMMSWSROMDCOD-NSHDSACASA-N 458.897 6.113 50 10 JKGE Brc1cc2c(cc1[C@H](Br)c1nscc1Br)CCO2 404956671 SECUGYAMGXIGAJ-NSHDSACASA-N 453.981 5.087 50 10 JKGE CC(C)(C)OC(=O)N1c2ccccc2NC[C@@H]1c1ccccc1CO[Si](C)(C)C(C)(C)C 616690693 DFQBGOONKRZCSJ-HSZRJFAPSA-N 454.687 7.117 50 10 JKGE O=C1Cc2cc([C@@H](Br)c3ccsc3Br)c(Br)cc2N1 698578346 YRVWHKDSWXCAAP-LBPRGKRZSA-N 465.992 5.252 50 10 JKGE Fc1cc(Br)c(Cl)cc1[C@@H](Br)c1ccsc1Br 698695577 SXFPEVKTYLVIAP-JTQLQIEISA-N 463.391 6.550 50 10 JKGE CO[C@@](C)(COCc1ccccc1)Cn1c(CCCl)nc2cc(Br)ccc21 702782451 DHBKQSFFRGEFHN-OAQYLSRUSA-N 451.792 5.202 50 10 JKGE FC(F)(F)c1csc([C@@H](Br)c2occc2Br)c1Br 711283958 FLSQJMUYFJGDQL-ZETCQYMHSA-N 468.914 6.369 50 10 JKGE CC(C)Cc1ccc([C@@H](Cl)c2ccc(I)c(Br)c2)cc1 721571328 GBKZZFNLJBREKT-QGZVFWFLSA-N 463.584 6.580 50 10 JKGE Fc1cccc(C[C@@H](Cl)c2ccc(I)c(Br)c2)c1F 721574295 XRDRDLPKLHGBCE-LLVKDONJSA-N 457.483 5.855 50 10 JKGE COc1ccccc1OCC(=O)NN=Cc1c(Br)c(C)n(-c2ccc(C)cc2C)c1C 1083862909 QXPTUDDRCUEIFZ-UHFFFAOYSA-N 484.394 5.011 50 10 JKGE N#C/C(=C/c1cn(Cc2ccc(Cl)cc2)c2ccccc12)C(=O)Nc1cccc([N+](=O)[O-])c1 1084162843 IBKAKHWEUZRNBQ-PDGQHHTCSA-N 456.889 5.797 50 10 JKGE COc1ccc(Br)cc1C=NNC(=O)c1ccc(-n2c(C)ccc2-c2ccccc2)cc1 1084392490 NCISEHLUFFQCNI-UHFFFAOYSA-N 488.385 5.988 50 10 JKGE CCCCOc1ccc([C@H]2CN(C(=O)OCc3ccccc3)C[C@@H]2CI)cc1 1614620370 YYIKISGXSHQELB-RBBKRZOGSA-N 493.385 5.653 50 10 JKGE O=C(OCc1ccccc1)N1C[C@H](c2ccc(C(F)(F)F)cc2)[C@@H](CI)C1 1614805852 LAWFJQVYMYPZSI-FUHWJXTLSA-N 489.275 5.493 50 10 JKGE Cc1ccc(Cl)cc1NC(=O)c1oc2c(c1C)C(=NNC(=O)c1ccc(Cl)cc1)CCC2 1772743466 BVEQWHFREPZBGA-UHFFFAOYSA-N 470.356 5.926 50 10 JKGE Cc1c(C(=O)Nc2ccccc2C(F)(F)F)oc2c1C(=NNC(=O)c1ccc(Cl)cc1)CCC2 1772744066 RDSMPCKDXDKFFM-UHFFFAOYSA-N 489.881 5.983 50 10 JKGE Cc1ccc(NC(=O)c2oc3c(c2C)C(=NNC(=O)Cc2ccccc2)CCC3)c(Br)c1 1772748552 AVHQXRKBLHLQDQ-UHFFFAOYSA-N 494.389 5.311 50 10 JKGE CCOc1ccc(NC(=O)c2oc3c(c2C)C(=NNC(=O)c2ccc4ccccc4n2)CCC3)cc1 1772751726 XBXLHLZLPWNZIV-UHFFFAOYSA-N 482.540 5.258 50 10 JKGE Cc1cc(OCC(=O)NN=Cc2ccc(Cl)c(Cl)c2)c(C(C)C)cc1Br 1772754306 UDJACDAKOOQVQH-UHFFFAOYSA-N 458.183 5.717 50 10 JKGE COc1ccc(-c2nn(Cc3ccc(C)cc3)c3c2[C@@H](c2cccc4ccccc24)C(C#N)=C(N)O3)cc1 1865682041 DPXQSKQYHIGGJE-NDEPHWFRSA-N 498.586 6.287 50 10 JKGE CN(C)c1ccc([C@H]2C(C#N)=C(N)Oc3c2c(-c2ccccc2)nn3-c2cccc(Cl)c2)cc1 1865683987 SFRHJDACTFRRIH-QHCPKHFHSA-N 467.960 5.477 50 10 JKGE CCCc1nn(Cc2ccc(Cl)c(Cl)c2)c2c1[C@H](c1cc(C)ccc1O)C(C#N)=C(N)O2 1865687001 HDYVXTYLLCEBOM-OAQYLSRUSA-N 469.372 5.423 50 10 JKGE Cc1ccc(C)c(Cn2nc(-c3ccccc3)c3c2OC(N)=C(C#N)[C@H]3c2c[nH]c3ccccc23)c1 1865700541 WRDNMDVTBPQNAB-SANMLTNESA-N 471.564 5.915 50 10 JKGE CCCc1nn(CCC)c2c1[C@H](c1ccccc1OCc1ccccc1Cl)C(C#N)=C(N)O2 1865703154 OFGKPBLSZNNGLX-HSZRJFAPSA-N 462.981 5.696 50 10 JKGE Cc1nn(Cc2ccccc2F)c2c1[C@@H](c1cccc(OCc3ccccc3)c1)C(C#N)=C(N)O2 1865711859 JMSDBRNOIQUCGO-SANMLTNESA-N 466.516 5.176 50 10 JKGE CCOC(=O)c1c(-c2ccc(C)cc2C)csc1NC(=O)/C(C#N)=C/c1cccc(Cl)c1 1866129913 RZVMQKZMZYCIRR-WOJGMQOQSA-N 464.974 6.408 50 10 JKGE CCCC[C@H](NC(=O)C[C@@H](c1ccc2c(c1)OCCO2)C1CC1)C(=O)Nc1ccc(SC#N)cc1 1866732213 UVFSWCLXJRFAGS-PKTZIBPZSA-N 493.629 5.228 50 10 JKGE CC(C)c1ccc([C@H](C(=O)N[C@@H](C(=O)Nc2ccc(SC#N)cc2)c2ccccc2)C(C)C)cc1 1866964245 SUFWBLSMGPMMDI-KAYWLYCHSA-N 485.653 6.619 50 10 JKGE CCC[C@H](NC(=O)[C@@H](c1ccc(Cl)cc1)C1CCCC1)C(=O)Nc1ccc(SC#N)cc1 1867004428 DZBQBIFSDLWOHN-XZOQPEGZSA-N 470.038 6.111 50 10 JKGE COc1ccccc1-c1csc(/C(C#N)=C(\O)Cc2ccc(OCc3ccccc3)cc2)n1 1872747371 ZNDHABURFLSIBY-BZZOAKBMSA-N 454.551 6.433 50 10 JKGE COc1cc(Cl)c(C)cc1-c1csc(/C(C#N)=C(\O)c2cccc(Br)c2)n1 1872755403 LORNABXIVXCRFP-CYVLTUHYSA-N 461.768 6.493 50 10 JKGE COc1ccc(OC)c(-c2csc(/C(C#N)=C/c3ccc(OCc4ccccc4Cl)cc3)n2)c1 1872791467 IKOMKVULEIZTKK-DEDYPNTBSA-N 488.996 7.124 50 10 JKGE CCc1cccc(C)c1N1C[C@@H](/C(O)=C(\C#N)c2nc(-c3ccc4ccccc4c3)cs2)CC1=O 1873940887 LUKRHUQBFCCFRW-PBQGTZBKSA-N 479.605 6.680 50 10 JKGE Brc1cc([C@H](Br)[C@@H]2C[C@@H]2Br)c(Br)s1 1877360036 RAMZJTNSSURKQP-SYTVJDICSA-N 453.819 5.493 50 10 JKGE Clc1cc(I)c([C@H](Br)[C@@H]2C[C@H]2Br)s1 1888109156 YXVNCYUPLSYIPG-XAQAVTJOSA-N 456.368 5.226 50 10 JKGE Cn1cnc(Br)c1[C@@H](Br)c1cc(Br)c(Br)s1 1900440168 HDGNHTIRKYVTTJ-LURJTMIESA-N 493.844 5.253 50 10 JKGE COc1cc(C)c([C@@H](Br)c2c(C)nsc2Br)cc1Br 1901587447 YXCPZQCENNOSNE-GFCCVEGCSA-N 470.024 5.778 50 10 JKGE C[C@H]1CCN(Cc2ccccc2)C[C@@H]1n1c(CCl)nc2c(Br)cc(F)cc21 1912653029 JHQQNODOOFOZQV-LIRRHRJNSA-N 450.783 5.760 50 10 JKGE C[C@H]1[C@@H](n2c(CCCl)nc3c(Br)cc(F)cc32)CCN1Cc1ccccc1 1912687327 KVZUFALNNGPGHA-KSSFIOAISA-N 450.783 5.555 50 10 JKGE Cc1c(Br)sc([C@H](Br)[C@H]2C[C@H](C)O[C@H](C)C2)c1Br 1922921382 QBMICSNANKNCCN-YRCORFKGSA-N 461.057 6.221 50 10 JKGE Fc1ccc(Cl)c([C@H](Cl)c2c(Br)sc(Br)c2Cl)c1 1923050758 ZFWBCQDGDOQNGN-QMMMGPOBSA-N 453.385 7.047 50 10 JKGE C[C@@H](C[C@H](Br)c1c(Br)sc(Br)c1Cl)CC(C)(C)C 1923054420 FHVCVTHSVQSZEJ-YUMQZZPRSA-N 481.519 7.825 50 10 JKGE C[C@@H]1CC[C@H]([C@H](Cl)c2c(Br)sc(Br)c2Br)C1 1924570943 NVZZWILZJWSNEG-JHEQGTHGSA-N 451.449 6.752 50 10 JKGE CC[C@@H](C)[C@H](Cl)c1c(Br)c(Br)cc(Br)c1Br 1995049089 WJROLJCVWICAQA-GCXOYZPQSA-N 498.278 7.063 50 10 JKGE C[C@@H]1CCC[C@@H](OC2(CI)CCN(C(=O)OC(C)(C)C)CC2)[C@@H]1C 2022947803 NHSQCHXSDKXRRI-BZUAXINKSA-N 451.389 5.032 50 10 JKGE Cc1csc([C@H](Br)c2c(Br)sc(C)c2C)c1Br 2024029896 ZXAMOJIMGQJIOV-SNVBAGLBSA-N 459.066 6.744 50 10 JKGE Cc1sc(Br)cc1[C@@H](Br)c1cc(C2CC2)c(Br)s1 2034553612 AMLJTIMYIQMQIX-GFCCVEGCSA-N 471.077 7.005 50 10 JKGE CCc1cc(C)sc1[C@H](Cl)c1ccc(Br)cc1I 2086150032 VYVBXLOGKFFBKF-CYBMUJFWSA-N 455.586 6.314 50 10 JKGE ClCc1nc2cc(Br)c(Cl)cc2n1[C@@]12C[C@@H]1CN(Cc1ccccc1)C2 2103619822 IMZVLQUCGHLLPF-JLTOFOAXSA-N 451.195 5.422 50 10 JKGE Fc1ccc(Br)cc1CC[C@@H](Br)c1ccc(Br)cc1 2113491783 TVABBAPOMKKWQR-CQSZACIVSA-N 450.971 6.420 50 10 JKGE CCC[C@@H](Br)c1cn(Cc2ccc(Br)cc2Br)nn1 2121069090 WXBAQSPUXKCTTK-LLVKDONJSA-N 451.988 5.088 50 10 JKGE CC[C@@]12CC[C@@]([C@@H](Cl)c3c(Br)sc(Br)c3Br)(CO1)C2 2137171311 UGCFWNIJMAOVDJ-XDTLVQLUSA-N 493.486 6.665 50 10 JKGE COc1ccc(C)cc1[C@@H](Cl)c1ccc(Br)cc1I 2142286876 JHORSOSURBXMPU-HNNXBMFYSA-N 451.529 5.699 50 10 JKGE Cc1cc(F)c([C@H](Cl)c2ccc(Br)cc2I)cc1F 2142287125 KXQHPOXFFCNXAC-CQSZACIVSA-N 457.483 5.969 50 10 JKGE ClCc1nc2cc(Br)c(Cl)cc2n1-c1cccc(I)c1 2159868477 PQIWVWYECNENHD-UHFFFAOYSA-N 481.946 5.785 50 10 JKGE Cc1nc([C@@H](Br)c2cc(Br)cc3c2O[C@@H](C)C3)c(Br)s1 2169495610 OMHMHGZVONQMNG-KGFZYKRKSA-N 482.035 5.784 50 10 JKGE CN(c1cc(Br)cc(F)c1CBr)C1C[C@@H]2CC[C@H](C1)N2Cc1ccccc1 2170690111 ANMDZTREZOTTSP-DFNIBXOVSA-N 496.262 6.115 50 10 JKGE FCCOc1ccccc1[C@@H](Cl)c1c(Br)sc(Br)c1Cl 2189517863 NBWWSWQNCIUEGJ-SNVBAGLBSA-N 462.993 6.603 50 10 JKGE CCCC(CBr)(CCC)CN=[S@@](C)(=O)CC1(C)CN(C(=O)OC(C)(C)C)C1 2192789774 XMCQIEIFCQNUAH-MHZLTWQESA-N 467.514 5.323 50 10 JKGE Cc1cc(Br)c(C)c([C@@H](Br)c2cccc(F)c2Cl)c1Br 2201068242 DXFJAEUJYPKKFW-AWEZNQCLSA-N 485.416 7.105 50 10 JKGE Cc1nn(C)c([C@H](Br)c2c(Br)cc(F)c(Cl)c2F)c1Br 2201616251 AEBCOGGCJCTMMS-SECBINFHSA-N 493.371 5.669 50 10 JKGE COc1cc(Cl)c([C@@H](Br)Cc2ccccc2Br)cc1Br 2202355744 DWZFFPYTGSJAGP-LBPRGKRZSA-N 483.425 6.552 50 10 JKGE Cc1c(Br)ccc([C@H](Br)c2csc(C(F)(F)F)c2)c1Br 2203694903 UZXRLEWVHANFPR-GFCCVEGCSA-N 492.980 7.085 50 10 JKGE Cc1c(Br)ccc([C@H](Br)[C@H]2CCn3nccc3C2)c1Br 2203701324 ADKDYRUDMPRFEO-ZUZCIYMTSA-N 463.011 5.415 50 10 JKGE CC[C@]12CO[C@]([C@H](Br)c3c(C)c(Br)cc(C)c3Br)(C1)C2 2205192936 ODUQBGNIBXQELR-OAGGEKHMSA-N 467.039 6.224 50 10 JKGE Fc1ccc(Br)c(CO[C@H](CBr)c2cccc(Br)c2)c1 2206275351 KBRDMUGOATVPBK-OAHLLOKOSA-N 466.970 6.004 50 10 JKGE COc1c(C)cc(Br)cc1[C@H](Br)c1cccc(F)c1Br 2206572933 YPSOMDRLVQIOEI-CYBMUJFWSA-N 466.970 6.152 50 10 JKGE Clc1c(Br)sc(Br)c1[C@H](Br)[C@@H]1OC[C@@H]2CCC[C@@H]21 2218093436 WRLVLMBWSAOLFV-UEGXPFIPSA-N 479.459 6.178 50 10 JKGE Cc1sc(Br)c(C)c1[C@H](Cl)c1cccc(Br)c1Br 2218792713 CMWQIICZHQACTQ-GFCCVEGCSA-N 473.455 6.981 50 10 JKGE CC(C)(C)OC(=O)N1CCC[C@](CBr)(OCc2ccc(Cl)cc2Cl)C1 2223367424 XJMXMVGKIUXJIU-GOSISDBHSA-N 453.204 5.675 50 10 JKGE CCCN[C@H](c1c(Br)cc(Cl)c(Cl)c1Cl)[C@@H]1C[C@H]1Br 2224311575 QYKINBYJWJVCHX-FWXDICJISA-N 450.429 6.233 50 10 JKGE Fc1cc(Br)c(Br)cc1[C@@H](Br)c1ccc(Cl)c(Cl)c1 2225635523 VPMWVEBLSDFCEX-ZDUSSCGKSA-N 491.807 7.142 50 10 JKGE Cc1c(Br)cccc1[C@@H](Cl)c1cc(Br)c(Br)cc1F 2225635944 YHQODOJMTDKGEV-CQSZACIVSA-N 471.389 6.750 50 10 JKGE Cc1cc(Br)c(F)c([C@H](Br)c2sc(Br)c(C)c2C)c1 2225838904 OKLMGESJYPDXSI-NSHDSACASA-N 471.027 6.822 50 10 JKGE CC[C@](C)(CCCC(C)C)O[C@@]1(CI)CCCN(C(=O)OC(C)(C)C)C1 2226057644 QBAYAZWVWWSFGO-NHCUHLMSSA-N 481.459 6.203 50 10 JKGE Cc1cccc(Br)c1[C@@H](Br)Cc1ccc(Br)cc1Cl 2229150963 LJEIRXPZJBXRRM-ZDUSSCGKSA-N 467.426 6.852 50 10 JKGE CC1(C)CC12CC([C@H](Br)c1c(Br)cc(Cl)c(Cl)c1Cl)C2 2232511196 PGXFATWTQCBPTN-MLUFTHPKSA-N 461.452 7.672 50 10 JKGE CCOCc1cc(Br)c([C@H](Br)c2c(Br)cnn2CC)s1 2233035850 PUYRDSHKTNXYEG-LLVKDONJSA-N 487.055 5.510 50 10 JKGE Cc1cc(Br)c([C@H](Br)Cc2ccccc2F)c(C)c1Br 2235604464 NVPWPKVBDDSQIC-CYBMUJFWSA-N 464.998 6.646 50 10 JKGE Fc1ccc2nc(CCCl)n(CC3(N(Cc4ccccc4)Cc4ccccc4)COC3)c2c1Cl 2235759082 BXMXZUHPIIVPIG-UHFFFAOYSA-N 498.429 6.082 50 10 JKGE Cc1ccc([C@@H](Cl)c2c(F)cc(F)c(Br)c2F)cc1I 2236108892 LICAAWRUCWEZTO-CYBMUJFWSA-N 475.473 6.108 50 10 JKGE Fc1ccc(I)cc1[C@@H](Br)c1ccc([C@@H]2CCOC2)s1 2240420457 AOJKJQSJFSHTTH-RFAUZJTJSA-N 467.141 5.480 50 10 JKGE CCN(C[C@](C)(CI)OCC[C@H]1CCCC12CC2)C(=O)OC(C)(C)C 2255319339 DCTSABDIXQDEHK-APWZRJJASA-N 465.416 5.424 50 10 JKGE Fc1cc(Br)c(Br)cc1[C@H](Br)[C@H]1CCC(F)(F)C1 2263340208 LBJWBVOYUSPRSP-UPONEAKYSA-N 450.918 6.222 50 10 JKGE CC(C)(C)[C@@H]1C[C@@H]1[C@@H](Br)c1c(F)cc(Br)c(F)c1Br 2272740473 RAGIUYOQXTVEOU-MVKOHCKWSA-N 460.982 6.608 50 10 JKGE Brc1ccc(Br)c([C@@H](Br)c2ccc3scnc3c2)c1 2278624675 NORIUJPCCHZMLB-AWEZNQCLSA-N 462.004 6.306 50 10 JKGE COc1ccc([C@H](Br)C2(CC(F)(F)F)CCC2)cc1I 2285010723 OXOBCSMQJGKCEG-LBPRGKRZSA-N 463.075 5.859 50 10 JKGE COc1cc(C=C(C#N)c2nc3ccccc3n2C)ccc1OCc1ccc(Br)cc1 2293190891 SFNPRYHIIMZWNV-UHFFFAOYSA-N 474.358 5.988 50 10 JKGE O=C(CSc1nnc(-c2ccc(Cl)cc2)n1-c1ccc(Cl)cc1)NN=CC=Cc1ccco1 2293523517 AUCNOQQIVYPWBV-UHFFFAOYSA-N 498.395 5.742 50 10 JKGE Cn1nc(Br)c(Br)c1[C@@H](Cl)c1sc(Cl)cc1Br 2301045901 IRHZDGPEVWGUQU-ZCFIWIBFSA-N 483.838 5.751 50 10 JKGE CCOc1cc(C=C(C#N)C(=O)Nc2ccc(C)cc2)ccc1OCc1ccc2c(c1)OCO2 2313568585 UXXSPFCWVUPFQF-UHFFFAOYSA-N 456.498 5.247 50 10 JKGE Brc1ccc(OCc2ccccc2)c([C@H](Br)[C@@H]2CCCCC23CC3)c1 2314439468 HVDKARKJUWWFRB-FPOVZHCZSA-N 464.241 7.435 50 10 JKGE Fc1cccc([C@H](Br)c2ccc(OCc3ccccc3)cc2Br)c1Cl 2314448142 FINYIQIPGCSPBT-LJQANCHMSA-N 484.590 7.305 50 10 JKGE CCOc1cc(C=C2C(=O)N([C@@H](C)CC)C(=O)C(C#N)=C2C)ccc1OCc1ccccc1Cl 2314611266 RVJFBOVDTICFIG-KRWDZBQOSA-N 478.976 5.708 50 10 JKGE CCCCCCCOc1ccc(C=C2C(=O)N([C@@H](C)CC)C(=O)C(C#N)=C2C)cc1OCC 2314611538 WRNPVMWIWMKSAL-IBGZPJMESA-N 452.595 5.825 50 10 JKGE CCOc1cc(C=C2C(=O)N(Cc3ccccc3)C(=O)C(C#N)=C2C)ccc1OCc1ccc(F)cc1 2314618649 QYQRUFBCAQJVFN-UHFFFAOYSA-N 496.538 5.596 50 10 JKGE CCc1ccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)C=Cc4ccc(C(C)(C)C)cc4)ccc32)cc1 2314634485 ZAXBEQRQYMBBKM-GDLZYMKVSA-N 478.592 6.383 50 10 JKGE CCOc1cc(C=C(C#N)C(=O)NCc2ccco2)ccc1OC(=O)C=Cc1ccc(C(C)C)cc1 2314754614 WWAPHIMCWYSIKI-UHFFFAOYSA-N 484.552 5.644 50 10 JKGE CC1(C)C[C@]1(Cl)[C@H](Br)c1c(Cl)cc(Br)c(F)c1Br 2315450575 FKEXPARXUNGXMP-PWSUYJOCSA-N 483.828 6.848 50 10 JKGE COc1cc(Br)c(C)cc1[C@H](Br)c1cnsc1Br 2315642973 JAJGRTIGEYGNND-NSHDSACASA-N 455.997 5.469 50 10 JKGE Fc1cc([C@@H](Cl)c2sc(Cl)cc2I)c(F)cc1Br 2316771305 LCCWWOLNTXTEEL-SNVBAGLBSA-N 483.930 6.375 50 10 JKGE FC(F)(F)c1cnc(N[C@@H](CCCl)COCc2ccccc2)c(I)c1 2320543697 SBSZLXCLFSYIQL-AWEZNQCLSA-N 484.687 5.331 50 10 JKGE COc1ccc(C=C2Oc3c(ccc(OCc4cccc(CCl)c4)c3C)C2=O)c(OC)c1 2325360459 HTSBENPZVDPODB-UHFFFAOYSA-N 450.918 5.946 50 10 JKGE CCCCc1ccc(-c2csc(C(C#N)=C(O)C=Cc3cc(OC)c(OC)c(OC)c3)n2)cc1 2331256068 SIVZHDFHURZUSZ-UHFFFAOYSA-N 476.598 6.685 50 10 JKGE COc1ccc(Cl)cc1-c1csc(C(C#N)=C(O)c2cc(OC)c(OC)c(OC)c2)n1 2331408955 BLORJZBYVZEETL-UHFFFAOYSA-N 458.923 5.448 50 10 JKGE CCCCOc1ccc(C=C(C#N)c2nc(-c3ccc4c(c3)CCCC4)cs2)cc1OCC 2331416894 RVLYCCLVZHEMCS-UHFFFAOYSA-N 458.627 7.331 50 10 JKGE CCCOc1ccc(-c2csc(C(C#N)=Cc3cc(Br)ccc3O)n2)cc1OCCC 2331438067 XTXMOJZOSFNQQH-UHFFFAOYSA-N 499.430 6.920 50 10 JKGE CCCCCCOc1ccc(C=C(C#N)c2nc(-c3cc(C)ccc3OC)cs2)cc1OC 2331448815 DNUSYVHPWUGSQP-UHFFFAOYSA-N 462.615 7.159 50 10 JKGE Fc1c(Br)cc(Cl)c([C@@H](Br)[C@@H]2C[C@@H]3C[C@@H]3CO2)c1Br 2337086887 QZVNGQDVTZUNJI-FAEGPNRZSA-N 477.393 5.865 50 10 JKGE Cc1ccc(C[C@@H](Br)c2c(Br)c(Br)nn2C)cc1C 2338689994 BDGRZYZBJCITRR-LLVKDONJSA-N 451.000 5.241 50 10 JKGE COCc1cc(Br)c([C@@H](Cl)c2c(Br)c(Br)nn2C)s1 2338859620 HEIRQCBBRVZTRE-QMMMGPOBSA-N 493.446 5.244 50 10 JKGE COc1c(Br)cc(C)c([C@H](Br)[C@H](C)C(F)(F)F)c1Br 2339675070 PMRLJRAAIADBLT-IMTBSYHQSA-N 468.933 6.163 50 10 JKGE Cc1cc(Br)c(C)c([C@H](Br)[C@@H]2[C@@H]3[C@H]2CCC3(F)F)c1Br 2357916709 GAOYAQJFDWHGHP-FNYBSCSFSA-N 472.993 6.556 50 10 JKGE CC(C)(C)c1cccc([C@@H](Br)c2ccc(OCc3ccccc3)cc2Br)c1 2361194962 LXDBATMMUOQSQM-HSZRJFAPSA-N 488.263 7.810 50 10 JKGE Cc1cc(I)c(Oc2cc(Br)cc(F)c2CCl)cc1Cl 2361703957 PBUHJGJHPULCKO-UHFFFAOYSA-N 489.937 6.686 50 10 JKGE CC1(C)CCC[C@@H]([C@H](Br)c2c(Cl)cc(Br)c(F)c2Br)C1 2362234771 ISYFAFQAOMXEFO-PELKAZGASA-N 491.464 7.657 50 10 JKGE Cc1ccc([C@@H](CBr)OCc2cc(Br)cc(Br)c2)cc1 2362241646 YVUOCSPAZLJMNG-MRXNPFEDSA-N 463.007 6.173 50 10 JKGE CC1CCC([C@H](CBr)NC(=O)c2csc(Br)c2Br)CC1 2379736838 LXBQLXHQHGRIDK-AMUVOQDHSA-N 488.083 5.593 50 10 JKGE CCOC(=O)c1cc(-c2ccccc2)sc1NC(=O)/C(C#N)=C/c1ccc(OCC)c(OC)c1 1959350 PHJRIPZXMAPPBN-CPNJWEJPSA-N 476.554 5.545 50 10 JKGE C=CCOc1ccc(Br)cc1/C=C(/C#N)C(=O)Nc1ccc([N+](=O)[O-])cc1Cl 33722859 SNZFTOJGHAVZLN-JYRVWZFOSA-N 462.687 5.121 50 10 JKGE N#C/C(=C1\SC=C(c2ccc(-c3ccccc3)cc2)N1c1ccccc1)c1nc2ccccc2[nH]1 33863986 QEINNDOGMQCMFX-QCWLDUFUSA-N 468.585 7.674 50 10 JKGE N#C/C(=C\c1ccc(Oc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])cc1)C(=O)Nc1ccc(Cl)cc1 33927767 DZMLLTPUEMLQJT-RVDMUPIBSA-N 464.821 5.494 50 10 JKGE Cc1ccc(C(=O)Nc2sc(/C(C#N)=C\C3=Cc4ccccc4O[C@@H]3C)nc2-c2cccs2)cc1 34982866 NGJPDQLXQLFXLD-OSVNEOKWSA-N 495.629 7.204 50 10 JKGE COc1cc(CBr)cc(Br)c1OCc1ccc(Br)s1 36815543 JJNWLSIRYYIFKE-UHFFFAOYSA-N 471.008 5.756 50 10 JKGE C=CCN1C(=O)C(C#N)=C(C)/C(=C\c2cn(-c3ccccc3)nc2-c2ccc(OCCC)c(F)c2)C1=O 38607625 YXBOXSHSOSZHIE-HZHRSRAPSA-N 496.542 5.245 50 10 JKGE CCOc1cccc(-c2nn(-c3ccccc3)cc2/C=C(\C#N)S(=O)(=O)c2ccc(F)cc2)c1 39850268 YXWLRRITUBTWQA-PCLIKHOPSA-N 473.529 5.415 50 10 JKGE Cc1ccc(Cl)cc1NC(=O)c1oc2c(c1C)/C(=N/NC(=O)c1cccc(Cl)c1)CCC2 40813308 BORUXYYQTUAABE-MTDXEUNCSA-N 470.356 5.926 50 10 JKGE Cc1cc(C)cc(OC(=O)c2oc3c(c2C)/C(=N/NC(=O)c2cccc4ccccc24)CCC3)c1 40813538 RNRHCJOZKXXPAZ-BGABXYSRSA-N 466.537 6.048 50 10 JKGE Cc1c(C(=O)Nc2ccncc2)oc2c1/C(=N/NC(=O)c1ccc(-c3ccccc3)cc1)CCC2 40822610 WRJHZMMEEOFUKZ-UQRQXUALSA-N 464.525 5.373 50 10 JKGE COc1cc(/C=C(/C#N)C(=O)NC2CCCCC2)cc(Br)c1OCc1ccccc1 40889414 FVURGXDLBNJNHD-UNOMPAQXSA-N 469.379 5.393 50 10 JKGE CC(C)(C)c1ccc(/C=N/NC(=O)CCCOc2ccc(C(C)(C)C)cc2Br)cc1 40951407 RZIATNAZEZKHCP-WPWMEQJKSA-N 473.455 6.353 50 10 JKGE C=CCOc1ccc(/C=N/NC(=O)c2ccc(-n3c(C)ccc3-c3ccccc3)cc2)cc1CC=C 59303585 ZBWIVYKEJUWONS-WEMUVCOSSA-N 475.592 6.510 50 10 JKGE CCCN1C(=O)C(C#N)=C(C)/C(=C\c2cn(-c3ccccc3)nc2-c2ccc(OC(C)C)cc2C)C1=O 101332867 TXHJQQVUGHPZLO-WGOQTCKBSA-N 494.595 5.637 50 10 JKGE CCCCCCCCOc1ccc(/C=C2/C(=O)N(C[C@H]3CCCO3)C(=O)C(C#N)=C2C)cc1OC 101337312 ONCCDLLRZAWUKL-PXJFTPKESA-N 480.605 5.206 50 10 JKGE COc1cc(/C=C(/C#N)C(=O)Nc2nc3ccccc3s2)ccc1OCCOc1ccc(C)cc1 101426139 VLWLDGQQZBPZIX-HKWRFOASSA-N 485.565 5.617 50 10 JKGE CCCCCCCCOc1ccc(/C=N/NC(=O)CN(Cc2ccccc2)Cc2ccccc2)cc1 103724389 KDPVBWLKAHYMCT-AWSUPERCSA-N 485.672 6.578 50 10 JKGE COc1c(Br)cc(Cl)cc1[C@H](Br)c1ccc(Br)s1 109836040 CURLXEFBDPEACU-NSHDSACASA-N 475.427 6.419 50 10 JKGE Brc1cccc(C[C@H](Br)c2ccc(I)cc2)c1 110303702 ZJZTZTWPMLJZSF-AWEZNQCLSA-N 465.954 5.732 50 10 JKGE Clc1cccc(C(CBr)(CBr)Cc2ccc(Cl)c(Cl)c2)c1 118878076 AVNZYZCXBYRXPS-UHFFFAOYSA-N 471.447 6.917 50 10 JKGE CCOc1ccc([C@@H](Cl)c2ccc(I)cc2)c(Br)c1 126681954 TWXZCWJGDJFIPT-HNNXBMFYSA-N 451.529 5.781 50 10 JKGE Cc1cc(Br)c([C@@H](Br)C[C@H](C)CC(C)(C)C)cc1Br 128793811 MDLRCFVIPBYQRL-HZMBPMFUSA-N 455.072 7.418 50 10 JKGE Fc1ccc(COc2ccc(Br)c(CBr)c2)c(Br)c1 129029159 UPTHGRXGAJNOCW-UHFFFAOYSA-N 452.943 5.825 50 10 JKGE COc1cc([C@@H](Br)c2ccc(Cl)cc2Cl)c(OC)cc1Br 134298413 LNBNTOIZEPNRRB-HNNXBMFYSA-N 454.973 6.257 50 10 JKGE COc1cc(C)c([C@H](Br)c2cc(Br)ccc2Br)cc1OC 161095402 WGTMSCBNGCDYQX-INIZCTEOSA-N 479.006 6.022 50 10 JKGE CCOc1cccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)/C=C\c4ccc(C(C)(C)C)cc4)ccc32)c1 205660071 KMADHVZPFXRZHT-FWDUINFSSA-N 494.591 6.220 50 10 JKGE CCC[Si](CCC)(CCC)O[C@H](OCC)[C@@H](O[Si](CCC)(CCC)CCC)c1ccccc1 205991796 PRXPLOCAKJWFFT-NSOVKSMOSA-N 494.909 9.475 50 10 JKGE CCCCOc1ccc(-c2nn(-c3ccccc3)cc2/C=C2\C(=O)N(CCC)C(=O)C(C#N)=C2C)cc1 214217547 PXGKHDDZDPXATI-ITYLOYPMSA-N 494.595 5.720 50 10 JKGE Clc1ccc(I)c([C@H](Br)Cc2nc3ccccc3o2)c1 236084269 APWXZHLMFKZSHK-LLVKDONJSA-N 462.512 5.765 50 10 JKGE COc1cccc(C=NNC(=O)c2cc(-c3cccc(Br)c3)nc3ccccc23)c1OC 252627744 SASZJIWPIQKUFM-UHFFFAOYSA-N 490.357 5.445 50 10 JKGE Cc1ccc(-n2c(C)cc(C=NNC(=O)Cc3cccc(C(F)(F)F)c3)c2C)cc1[N+](=O)[O-] 254488663 OKIOBRIMUQUPOY-UHFFFAOYSA-N 458.440 5.022 50 10 JKGE C[C@H](Cl)c1nc2cc(I)ccc2n1C1CCN(Cc2ccccc2)CC1 301471017 TZZCGDSRKKPCTH-HNNXBMFYSA-N 479.793 5.778 50 10 JKGE ClCc1nc2cc(Cl)ccc2n1-c1ccc(Br)c(I)c1 312645791 UGSPZOLVONISAJ-UHFFFAOYSA-N 481.946 5.785 50 10 JKGE Cc1cccc([C@H](Br)c2cc(I)cc3c2OCC3)c1Cl 383244558 GKZZISGMOOPYRZ-AWEZNQCLSA-N 463.540 5.672 50 10 JKGE CC(C)(C)OC(=O)NCCN1CCCC[C@H]1c1ccc(CCO[Si](C)(C)C(C)(C)C)cc1 616610388 IBSWVAZSDXNOHF-QHCPKHFHSA-N 462.751 6.303 50 10 JKGE ClCc1nc2cc(I)ccc2n1-c1cccc(Br)c1Cl 690842386 OXMZPVDRKGFXHG-UHFFFAOYSA-N 481.946 5.785 50 10 JKGE CC(C)[C@H]1CN(c2cc(Br)ccc2CBr)CCN1Cc1ccccc1 704745810 YFIHEFYEYQKNRL-OAQYLSRUSA-N 466.261 5.691 50 10 JKGE Clc1ccc(I)c([C@@H](Br)c2ccc(C3CC3)s2)c1 707925409 OVMJQWOZBXUTHG-CQSZACIVSA-N 453.570 6.368 50 10 JKGE Cc1cc(Br)c([C@H](Br)C23CCC(CC2)CC3)cc1Br 710313141 WAHBVWFIOLWLTK-AJQRCPHMSA-N 451.040 6.926 50 10 JKGE CN(CC1CCN(Cc2ccccc2)CC1)c1cc(Br)ccc1CBr 720015585 AUFBOQAOHXWXRO-UHFFFAOYSA-N 466.261 5.692 50 10 JKGE Cc1cccc(C[C@H](Br)c2ccc(I)c(Br)c2)c1 721574233 XASRWPNTWWHTEO-ZDUSSCGKSA-N 479.981 6.041 50 10 JKGE COc1ccc(C=NNC(=O)C(c2ccccc2)c2ccccc2)cc1COc1ccc(Cl)cc1 1083903879 ANMOZJMMJHHXSO-UHFFFAOYSA-N 484.983 6.210 50 10 JKGE CCOc1cc(/C=C(/C#N)C(=O)Nc2cccc(C)c2C)ccc1OCc1ccc(Cl)c(Cl)c1 1084061233 UFAQKIXPGDIZHX-MTJSOVHGSA-N 495.406 7.134 50 10 JKGE CC(=NNC(=O)CCCOc1ccc(Cl)cc1Cl)C(c1ccccc1)c1ccccc1 1084092087 LUWYGVHKUVZPBA-UHFFFAOYSA-N 455.385 6.477 50 10 JKGE Cc1ccc(C)c(NC(=O)C(=O)NN=Cc2cc(C)n(-c3cccc(Cl)c3Cl)c2C)c1 1084195392 ODZXWYQQLYBFQM-UHFFFAOYSA-N 457.361 5.107 50 10 JKGE COc1ccc(SCC(=O)NN=Cc2c(Br)c(C)n(-c3ccccc3)c2C)cc1 1084312009 HSTPZAYVUYYJNM-UHFFFAOYSA-N 472.408 5.108 50 10 JKGE Cc1ccc(Cl)cc1NC(=O)C(=O)NN=Cc1ccc(-c2ccc(Cl)c(Cl)c2)o1 1084529915 RVVXFSUJYFNSJP-UHFFFAOYSA-N 450.709 5.304 50 10 JKGE CCc1nn(Cc2c(F)cccc2Cl)c2c1[C@H](c1ccc(Cl)cc1Cl)C(C#N)=C(N)O2 1865686172 RJYWMRJKZFRSBV-LJQANCHMSA-N 477.754 5.811 50 10 JKGE CCCCCOc1ccc([C@@H]2C(C#N)=C(N)Oc3c2c(CC)nn3Cc2ccc(C)cc2)cc1 1865693220 MKDPZOGGDMWJQU-RUZDIDTESA-N 456.590 5.589 50 10 JKGE COc1ccc([C@H]2C(C#N)=C(N)Oc3c2c(-c2ccccc2)nn3-c2ccc(C)cc2)cc1OC 1865706662 BYPHAVOZHFKKGE-DEOSSOPVSA-N 464.525 5.083 50 10 JKGE COc1ccc(-c2nn(Cc3cc(C)ccc3C)c3c2[C@H](c2ccccc2O)C(C#N)=C(N)O3)cc1 1865708052 MYNVGRGKFDHPDB-RUZDIDTESA-N 478.552 5.148 50 10 JKGE Cc1nc(-c2ccc(Cl)c(Cl)c2)ccc1C(=O)NNC(=O)c1cc(Cl)cc(Cl)c1 1865759395 YHQQTAWTAZEXJE-UHFFFAOYSA-N 469.155 5.745 50 10 JKGE CSCC[C@H](NC(=O)[C@@H](c1ccc(C(C)C)cc1)C(C)C)C(=O)Nc1ccc(SC#N)cc1 1866961981 QMJKKOHTSWOJLC-BJKOFHAPSA-N 483.703 5.999 50 10 JKGE N#CSc1ccc(Nc2cc(N3CC[C@@H](c4ccco4)C3)nc(Cc3ccccc3)n2)cc1 1868207381 LWWXYASVZMSFDH-HXUWFJFHSA-N 453.571 5.971 50 10 JKGE C=CCOc1ccccc1OC/C(O)=C(\C#N)c1nc(-c2ccc(Cl)cc2Cl)cs1 1872744637 ARTDBMOHPVGFBG-MNDPQUGUSA-N 459.354 6.553 50 10 JKGE CC[C@@H](C)N1C(=O)c2ccc(/C(O)=C(\C#N)c3nc(-c4ccc(Cl)cc4Cl)cs3)cc2C1=O 1872745033 UJAXMIMRJPYVPA-ACHDJDMMSA-N 498.391 6.461 50 10 JKGE C[C@H](Oc1ccc(Cl)cc1Cl)/C(O)=C(\C#N)c1nc(-c2ccccc2Cl)cs1 1872746259 ZTRFJHGWMVHBJL-UXNQKTKSSA-N 451.762 7.030 50 10 JKGE CCCCCCCOc1ccc(-c2csc(/C(C#N)=C(\O)Cc3ccccc3[N+](=O)[O-])n2)cc1 1872753488 ZMQWZTZVTXQRJE-LVWGJNHUSA-N 477.586 7.103 50 10 JKGE Cc1cc(C)c(C)c(-c2csc(/C(C#N)=C(\O)[C@H](C)N3C(=O)c4ccccc4C3=O)n2)c1C 1872754487 VRVLTJQLJDKUEQ-DVCONVQISA-N 457.555 5.521 50 10 JKGE CCOc1ccc(-c2csc(/C(C#N)=C(\O)Cc3ccc(NC(C)=O)cc3)n2)c(OCC)c1 1872755398 LJQYDOQYQPCYAW-LNVKXUELSA-N 463.559 5.601 50 10 JKGE Cc1ccc(-c2csc(/C(C#N)=C(\O)[C@H](C(C)C)N3C(=O)c4ccccc4C3=O)n2)cc1C 1872756720 XCEYNVDHFYLERT-MBDQKHHZSA-N 457.555 5.540 50 10 JKGE N#C/C(=C(/O)CCCCCNC(=O)c1ccccc1)c1nc(-c2cc(Cl)ccc2Cl)cs1 1872758693 LVYOXTVFSUXLPF-QOCHGBHMSA-N 486.424 6.900 50 10 JKGE COc1ccc(C)cc1-c1csc(/C(C#N)=C/c2ccc(OCc3ccc(Cl)cc3)cc2)n1 1872790969 OFJXMULREWYMKP-KGENOOAVSA-N 472.997 7.424 50 10 JKGE Cl[C@@H](c1cc(Br)cs1)c1ccc(OCc2ccccc2)cc1Br 1899860837 HUOQAIGQWMJXAL-GOSISDBHSA-N 472.629 7.180 50 10 JKGE O=C(c1ccc(Br)cc1C(F)(F)F)N(Cc1ccccc1)[C@H](CCl)C1CC1 1915176801 NSFTYLVRRPJOBG-GOSISDBHSA-N 460.721 6.128 50 10 JKGE CCC1(C)CC([C@H](Br)c2c(Br)sc(Br)c2Cl)C1 1923074224 JBJZIEDEJIIAQQ-XMDDQKSNSA-N 465.476 7.189 50 10 JKGE CC[C@@]1([C@H](Cl)c2c(Br)sc(Br)c2Br)CCCO1 1924616987 WAPJEHYUVGVDDL-KCJUWKMLSA-N 467.448 6.275 50 10 JKGE Cc1c(Br)cccc1[C@@H](Br)c1c(Cl)sc(Br)c1Cl 1925587082 GPAMAMIHMPZTNB-SECBINFHSA-N 493.873 7.373 50 10 JKGE O=C(N[C@H](CBr)CC1CCCC1)c1cc(Br)ccc1Br 1926735939 LWSSCHYKIKIRQH-LBPRGKRZSA-N 468.027 5.285 50 10 JKGE Brc1sc([C@H](Br)c2cscc2OCc2ccccc2)cc1C1CC1 1950336027 BARDZDCSVATKKV-GOSISDBHSA-N 484.278 7.513 50 10 JKGE Cl[C@H](c1c(Br)sc(Br)c1Br)C12CCC(CC1)O2 2017156160 FBZJGEIEQYMAIZ-GBZMYTLWSA-N 465.432 6.027 50 10 JKGE CCN(C[C@](C)(CI)O[C@H]1CCCCC1(F)F)C(=O)OC(C)(C)C 2020372045 IYPZZRMEJDTOHM-BBRMVZONSA-N 461.331 5.032 50 10 JKGE C[C@]12C[C@]([C@H](Br)c3c(Br)sc(Br)c3Cl)(CO1)C2 2023845396 FGRJGOAFLLMPMY-AVPPRXQKSA-N 465.432 5.932 50 10 JKGE CCc1sc(Br)cc1[C@@H](Br)c1cccc(F)c1Br 2030216981 CGYLLWHCGBOTBX-LBPRGKRZSA-N 457.000 6.459 50 10 JKGE O=C(NC1(CCBr)CCCC1)c1csc(Br)c1Br 2032953133 CODZWEYWIQGJLI-UHFFFAOYSA-N 460.029 5.101 50 10 JKGE Fc1cc(Cl)c(Br)cc1[C@H](Br)c1ccc(OCc2ccccc2)cc1 2036576202 IRJHHARYKUJNQF-HXUWFJFHSA-N 484.590 7.305 50 10 JKGE Brc1cc([C@@H](Br)c2cc(Br)c3c(c2)CCO3)ns1 2056497862 UUXIAWWCJAALTO-NSHDSACASA-N 453.981 5.087 50 10 JKGE CC(C)(C)N(Cc1ccccc1)S(=O)(=O)c1cc(CBr)c(Cl)cc1Cl 2059288175 DYGKCTJVJYMCSU-UHFFFAOYSA-N 465.240 5.878 50 10 JKGE Clc1c(Br)sc(Br)c1[C@H](Br)[C@@H]1C[C@H]1C1CCCC1 2079392138 IMEWNLPEZSGFGB-QXFUBDJGSA-N 477.487 7.189 50 10 JKGE COc1cscc1[C@H](Br)c1ccc(Br)c(C)c1Br 2083334344 RKKGWBZHTOUQRW-CYBMUJFWSA-N 455.009 6.074 50 10 JKGE C[C@@H]1Cc2cc([C@@H](Br)c3coc(Br)c3)cc(Br)c2O1 2090471582 YIAVWHZPGUIPKE-FUXBKTLASA-N 450.952 5.612 50 10 JKGE Fc1ccc(Br)c(CC[C@H](Br)c2ccccc2Br)c1 2113441527 ISMBNERMHSKKSV-HNNXBMFYSA-N 450.971 6.420 50 10 JKGE Fc1ccc(F)c(C[C@H](Br)c2ccc(Br)cc2)c1Br 2113492543 BULUKXKRLHSQGN-NSHDSACASA-N 454.934 6.169 50 10 JKGE ClCc1cccc(Br)c1OCc1cc(Br)ccc1Br 2118519338 JAKZGWPZWMPZBP-UHFFFAOYSA-N 469.398 6.292 50 10 JKGE Cc1cc(Br)c(C)c([C@@H](Br)C(C)(C)C(F)(F)F)c1Br 2136367060 NNBVKSGIKMQPCE-LLVKDONJSA-N 466.961 6.853 50 10 JKGE Cc1cc(Br)c(C)c([C@H](Br)CCC2CCCC2)c1Br 2136378506 DQIDHIUVOCSBEJ-CYBMUJFWSA-N 453.056 7.235 50 10 JKGE Cc1cc([C@H](Cl)c2c(Br)cc(F)c(Cl)c2F)sc1Br 2136967573 VZKWTIBIXDOXIP-JTQLQIEISA-N 450.957 6.841 50 10 JKGE Fc1cc(Cl)c([C@@H](Br)c2cccc(F)c2I)cc1Cl 2139427619 ZJUZJEQMLJDREN-LBPRGKRZSA-N 477.901 6.361 50 10 JKGE Brc1ccc(Br)c([C@@H](Br)[C@@H]2C[C@H]3COC[C@H](C3)C2)c1 2141799474 LHCQRGLUAOCVPL-SQYUCLKFSA-N 453.012 5.710 50 10 JKGE Brc1ccc([C@H](Br)c2ccc3c(c2)COC3)c(I)c1 2142289356 YRBDSDRMPHLNSV-OAHLLOKOSA-N 493.964 5.568 50 10 JKGE Clc1cc(C[C@@]2(CBr)CCO[C@@H]2C2CC2)ccc1I 2142941600 WUVVZKNKKGXGMG-HUUCEWRRSA-N 455.561 5.067 50 10 JKGE Cl[C@H](Cc1ccccc1I)c1cc2c(cc1Br)OCC2 2143868421 OESYCCDTGPDLCL-CQSZACIVSA-N 463.540 5.511 50 10 JKGE Clc1ccccc1C[C@H](CBr)Cc1cccc(Br)c1Br 2148752650 PCBSJXRKMJFUEV-NSHDSACASA-N 481.453 6.661 50 10 JKGE C[C@H](Cl)c1nc2cc(Br)c(F)cc2n1C1CC(COCc2ccccc2)C1 2149051361 OADBLWWCWLYECV-JEYLPNPQSA-N 451.767 6.406 50 10 JKGE Brc1cccc(Br)c1CN1CCC[C@@H]2CC[C@H](Br)C[C@@H]21 2167024571 VQEFUYYVFVSNOJ-WQGACYEGSA-N 466.055 5.740 50 10 JKGE Cc1nn(Cc2ccccc2)c(C)c1Cn1c(CCl)nc2cc(I)ccc21 2187792183 RAFWKJFSLFKOHR-UHFFFAOYSA-N 490.776 5.290 50 10 JKGE ClCC1CCC2(CC1)CCN(c1ncc(I)cc1Br)C2 2189907917 VXJBBAPMZPMSKR-UHFFFAOYSA-N 469.592 5.074 50 10 JKGE Cc1cc(Br)c(C)c([C@H](Br)[C@H]2CCC[C@H]2C(C)C)c1Br 2201076963 GLYOYBJJUGITLZ-GDZNZVCISA-N 467.083 7.337 50 10 JKGE COc1cc2c(cc1Br)nc(CCCl)n2[C@H](C)CN(C)Cc1ccccc1 2202307396 ACYGWDUHKVAEHW-OAHLLOKOSA-N 450.808 5.282 50 10 JKGE COc1cc(F)c([C@@H](Br)c2ccc(F)c(Br)c2)cc1Br 2202903963 LAHYSYQHAZMNAS-AWEZNQCLSA-N 470.933 5.983 50 10 JKGE Fc1cc(Br)c(Br)cc1[C@@H](Br)C1CC(Br)C1 2210477957 MHOCCRSXNJITLF-HPPGLBNUSA-N 479.807 5.960 50 10 JKGE Cc1cc(Br)c([C@@H](Cl)c2cc(Br)cs2)c(C)c1Br 2220147075 NDJMXCBTNLBTFD-ZDUSSCGKSA-N 473.455 6.981 50 10 JKGE FC(F)(F)[C@@H]1CCO[C@@H]1[C@@H](Br)c1cc(Br)c(Br)s1 2223756866 IUMXDPMWXXEIDL-WDZBIPAOSA-N 472.946 5.677 50 10 JKGE Cc1csc([C@H](Cl)c2c(Br)cc(C)c(Br)c2C)c1Br 2227346263 CJFUPQNRRGLONF-CYBMUJFWSA-N 487.482 7.289 50 10 JKGE Cc1cc(Br)c([C@H](Br)[C@@H]2C[C@H]2C2CCC2)c(C)c1Br 2227359478 IMSOZHURAJLVMP-HWWQOWPSSA-N 451.040 6.701 50 10 JKGE Cc1cc(Br)c([C@@H](Cl)c2sc(C)c(C)c2Br)cc1Br 2229319480 IAPDDRAHWKHUOV-CYBMUJFWSA-N 487.482 7.289 50 10 JKGE CCc1nn(C)c([C@@H](Br)c2c(Cl)sc(Br)c2Cl)c1Cl 2232175907 SQKDSMNJSZBXGI-LURJTMIESA-N 467.441 6.251 50 10 JKGE C[C@@H](Cl)c1nc2c(F)cc(Br)cc2n1CC[C@@H](C)N(C)Cc1ccccc1 2232914826 BFJRDIBNRPNYBH-HUUCEWRRSA-N 452.799 6.148 50 10 JKGE Fc1cc(F)c([C@H](Br)c2ccc(Br)c(Cl)c2)c(F)c1Br 2236108276 JJGZCEVGEYYDAJ-LLVKDONJSA-N 493.342 6.767 50 10 JKGE Cc1cc([C@H](Br)c2scc(Br)c2Cl)c(C)cc1Br 2253605303 UQCHOJRRGZCWEX-NSHDSACASA-N 473.455 7.028 50 10 JKGE CCc1cc([C@@H](Br)c2ccc(Br)c(C)c2)sc1Br 2255988807 NVCXVDBNUBUHDU-ZDUSSCGKSA-N 453.037 6.628 50 10 JKGE C[C@@H]1[C@@H]([C@H](Br)c2c(F)cc(Br)c(F)c2Br)C1(F)F 2260014601 QEHWFHGJOOLIDP-IHITVNRWSA-N 454.881 5.827 50 10 JKGE Cc1cc(Br)c([C@@H](Br)[C@@H]2COC3(CCC3)C2)cc1Br 2269308104 QHVGEJXAKXPHPT-HZMBPMFUSA-N 453.012 5.915 50 10 JKGE Cc1cc(Br)cc([C@@H](Cl)Cc2cc(Br)cc(Br)c2)c1 2277957141 SPOAUHHIOYXJHI-HNNXBMFYSA-N 467.426 6.805 50 10 JKGE COc1ccc(C=C(C#N)C(=O)Oc2ccc3c(=O)c(Oc4cc(C)cc(C)c4C)coc3c2)cc1 2293190892 SIFMKGMBMRJWHZ-UHFFFAOYSA-N 481.504 6.032 50 10 JKGE Cc1cc(C(F)(F)F)sc1[C@@H](Cl)c1sc(Br)c(C)c1Br 2295056782 KKOGWSCNTMJURF-MRVPVSSYSA-N 468.585 7.298 50 10 JKGE COc1cc([C@@H](Br)c2cc3sc(Br)cc3s2)ccc1Br 2295495630 QCMCYOUXDBJCNK-CQSZACIVSA-N 497.071 6.981 50 10 JKGE Cc1cccc(C)c1NC(=O)C(C#N)=C1S[C@@H](Cc2ccccc2)C(=O)N1c1ccccc1 2296506919 LQYKGCWHLUELAO-QHCPKHFHSA-N 453.567 5.368 50 10 JKGE Brc1cc(OCc2ccccc2)ccc1[C@H](Br)C[C@H]1C[C@H]2C[C@H]2C1 2299529902 HABXAFJLIZLCFW-PDOICOKGSA-N 450.214 6.900 50 10 JKGE Cc1sc([C@H](Cl)c2sc(Cl)cc2I)c(Br)c1C 2300953394 IYXSZJVTNKINAC-SECBINFHSA-N 482.033 6.775 50 10 JKGE Cl[C@@H](c1c(Br)sc(Br)c1Br)[C@H]1CC[C@@H]2C[C@H]1CO2 2312742193 MNWPGIUECVYAKZ-HEZDBXPZSA-N 479.459 6.131 50 10 JKGE N#CC(=Cc1cccc(OCc2ccc(Cl)cc2)c1)C(=O)Nc1cc([N+](=O)[O-])ccc1Cl 2313724759 ZUWLVBALCBWMKT-UHFFFAOYSA-N 468.296 6.026 50 10 JKGE FC(F)(F)[C@@H]1CC[C@@H]1[C@@H](Br)c1ccc(OCc2ccccc2)cc1Br 2314444681 OGORDLZQBFWSAZ-YXJHDRRASA-N 478.146 7.053 50 10 JKGE CCOc1ccc(-c2nn(-c3ccccc3)cc2C=C2C(=O)N(C(C)C)C(=O)C(C#N)=C2C)cc1C 2314610863 NHNOXBRLWPBOSM-UHFFFAOYSA-N 480.568 5.247 50 10 JKGE CC(C)(C)c1ccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)C=Cc4ccc(Cl)cc4)ccc32)cc1 2314634275 VKCJVWIMUNKTDJ-HHHXNRCGSA-N 484.983 6.474 50 10 JKGE CCCCCCOc1ccc(C=C(C#N)C(=O)Nc2nc(-c3cc(C)ccc3C)cs2)cc1OC 2314754685 YPGIZGKHXCVNMY-UHFFFAOYSA-N 489.641 6.940 50 10 JKGE COC1(C(F)F)CC([C@H](Br)c2sc(Cl)cc2I)C1 2320068749 POQMVJZNVOMMRO-QHCBANEHSA-N 471.532 5.502 50 10 JKGE CCn1cc(C=C2Oc3c(ccc(OCc4ccc(CCl)cc4)c3C)C2=O)c2ccccc21 2325339555 BVZOHWQOIIHQFL-UHFFFAOYSA-N 457.957 6.904 50 10 JKGE COc1cc(C=NNC(=O)c2ccc(-c3ccc4ccccc4c3)s2)cc(Br)c1O 2325901834 FGOPSDRLUVSWOF-UHFFFAOYSA-N 481.371 5.809 50 10 JKGE COc1c(Cl)ccc(Cl)c1C(O)=C(C#N)c1nc(-c2ccc(Cl)c(Cl)c2)cs1 2331312000 SJEVSEOUTMBPMS-UHFFFAOYSA-N 472.180 7.382 50 10 JKGE Cc1ccc(-c2csc(C(C#N)=C(O)[C@@H](CC(C)C)N3C(=O)c4ccccc4C3=O)n2)cc1 2331312422 UAKGBPSSPMYQHZ-JOCHJYFZSA-N 457.555 5.622 50 10 JKGE Cc1ccc(OCC(O)=C(C#N)c2nc(-c3cccc4ccccc34)cs2)c(C(C)(C)C)c1 2331339169 MHEDRAXLYQJXFV-UHFFFAOYSA-N 454.595 7.441 50 10 JKGE N#CC(=Cc1c(OCc2ccccc2)ccc2ccccc12)c1nc(-c2cccc([N+](=O)[O-])c2)cs1 2331416198 UFWYGKXEEDDYCU-UHFFFAOYSA-N 489.556 7.515 50 10 JKGE COc1cc(C)c(-c2csc(C(C#N)=Cc3cc(Br)c(O)c(OC)c3)n2)cc1C(C)C 2331463421 GKUAHKVZEXUFJZ-UHFFFAOYSA-N 499.430 6.791 50 10 JKGE Brc1cc(Br)cc(C[C@@H](Br)[C@@]23CCCC[C@@H]2CC3)c1 2335066742 RHTSFGGZFIUWTN-DAXOMENPSA-N 451.040 6.488 50 10 JKGE Brc1cc(OCc2ccccc2)ccc1[C@@H](Br)[C@H]1CC2(CCCC2)CO1 2336078508 POOXBIGCFZEJLH-NHCUHLMSSA-N 480.240 6.813 50 10 JKGE Cc1c(Cl)sc(Cl)c1[C@H](Br)Cc1ccc(Br)cc1Cl 2336088998 LRGKZAFGAWXQMM-SECBINFHSA-N 463.449 7.458 50 10 JKGE C[C@@H]1COCC[C@H]1[C@@H](Br)c1c(Cl)cc(Br)c(F)c1Br 2337091791 HFFJDTPMWFEYMN-OPVBNTEQSA-N 479.409 6.113 50 10 JKGE CO[C@@H]1C[C@@]2([C@H](Br)c3c(Cl)cc(Br)c(F)c3Br)C[C@@H]12 2337094773 SNPDZUQWULCYLY-UZBVEPSZSA-N 477.393 5.865 50 10 JKGE COc1ccc([C@@H](Br)c2c(Br)c(Br)nn2C)cc1Cl 2338722372 MEIWQFPCFSHUNR-SECBINFHSA-N 473.390 5.091 50 10 JKGE Cc1ccc([C@@H](Cl)c2ccc(Cl)cc2I)c(C)c1Br 2340063849 BSMWKOAQKRULED-OAHLLOKOSA-N 469.975 6.652 50 10 JKGE Cc1cc(I)c(Oc2ccnc(Cl)c2CBr)cc1Cl 2344716047 PLLLXRZGMKVPAT-UHFFFAOYSA-N 472.935 5.989 50 10 JKGE FC1(F)[C@H]2C[C@@](CBr)(Cc3cc(I)ccc3Cl)C[C@H]21 2352424017 NOFSGOHSJRXEDR-PTEHBNRSSA-N 461.515 5.544 50 10 JKGE Fc1cc(Br)c(Br)cc1[C@@H](Br)[C@@H]1CC[C@@H]2[C@H](C1)C2(F)F 2358562239 SJRBWZBLZDVHOD-WRNXMPKJSA-N 476.956 6.468 50 10 JKGE COc1c(F)c(F)cc([C@@H](Br)c2sc(Br)cc2Br)c1F 2361165277 IOYFIMNWLLRESM-MRVPVSSYSA-N 494.952 6.183 50 10 JKGE Brc1ccc(OCc2ccccc2)c([C@@H](Br)C2C3CC4CC(C3)CC2C4)c1 2361203421 FXSROKCNTRMUSX-WBOXHUCFSA-N 490.279 7.536 50 10 JKGE COc1cc(Cl)c([C@@H](Br)c2c(Br)nc(C)n2C)cc1Br 2362486822 KWKMPCDNJOHOFB-LLVKDONJSA-N 487.417 5.400 50 10 JKGE C[C@]12C[C@H](C1)[C@@H]([C@H](Br)c1c(Br)cc(Cl)c(Cl)c1Cl)CO2 2362914947 GCUXBBSXSCQENO-AXOKYAICSA-N 463.424 6.660 50 10 JKGE Cc1cc(Br)c(F)c(Br)c1[C@H](Cl)c1c(Br)c(C)nn1C 2365232232 QDRZYUCFKYODHK-NSHDSACASA-N 489.408 5.792 50 10 JKGE Fc1cc(CBr)c(OCc2ccc(Cl)cc2I)cc1Cl 2365649236 CGMITLVIKRHZDH-UHFFFAOYSA-N 489.937 6.211 50 10 JKGE C[C@H](Br)CC1C[C@@H]2CC[C@H](C1)N2c1ncc(Br)cc1Br 2366972804 VYTTYJITXWXXGT-FZMOHWGLSA-N 467.043 5.528 50 10 JKGE CC(C)(C)OC(=O)N[C@@]12CCC(F)(F)C[C@@H]1CN(CCCCCCCBr)C2 2370149194 NYNTWQJGJBIKLV-VQIMIIECSA-N 453.412 5.346 50 10 JKGE FC(F)C1(CBr)CCN(Cc2cc(I)ccc2Cl)CC1 2380516015 WYCWSOYQXANGHL-UHFFFAOYSA-N 478.546 5.187 50 10 JKGE Clc1ccc(I)cc1CN1CCC[C@@H]2CC[C@@H](Br)C[C@H]21 2380520880 BBWPENVIBXUXDF-AXAPSJFSSA-N 468.604 5.473 50 10 JKGE CCOc1ccc(/C=C(/C#N)C(=O)Nc2ccc(S(=O)(=O)Nc3c(C)cccc3C)cc2)cc1 2777083 TTWQGABUKBJPGS-PGMHBOJBSA-N 475.570 5.049 50 10 JKGE COc1ccc(/C=C(\C#N)S(=O)(=O)c2ccccc2)cc1COc1c(F)c(F)cc(F)c1F 2853749 NEABDBOFAZGWMZ-LICLKQGHSA-N 477.435 5.169 50 10 JKGE O=C(COc1c(Cl)cc(Cl)cc1Cl)N/N=C/c1ccc(OCc2ccccc2)cc1 3162732 OHDMFUXGIZHQRU-RPPGKUMJSA-N 463.748 5.755 50 10 JKGE O=C(NNC(=O)c1sc2ccccc2c1Cl)c1cccc(OCCOc2ccccc2)c1 14040895 MPSYBUSVNCPJKW-UHFFFAOYSA-N 466.946 5.087 50 10 JKGE C[C@@H]([C@@H](Cl)c1ccccc1)[n+]1c(-c2ccccc2)cc(-c2ccccc2)cc1-c1ccccc1 15770951 OCYXPKNTLXUKNK-NRUKRWIHSA-N 461.028 8.516 50 10 JKGE N#C/C(=C/c1ccc(OCc2ccc(F)cc2)cc1)C(=O)Nc1ccc(Cl)cc1[N+](=O)[O-] 33930490 APPJDTBZSVFKAI-BOPFTXTBSA-N 451.841 5.512 50 10 JKGE Cc1ccc(C(=O)N/N=C\c2ccc(N3N=C(c4ccccc4)C[C@@H]3c3ccccc3)cc2)cc1 34829320 AWASCKKJZOODHO-OGBGOWNMSA-N 458.565 6.115 50 10 JKGE CCCCOc1cccc(C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@H]3c2ccccc2F)c1 38652201 YOZYQAQQTWRMIS-VWLOTQADSA-N 458.489 5.442 50 10 JKGE N#CC1=C(N)Oc2cc(OC(=O)c3ccccc3Cl)ccc2[C@@H]1c1cccc2ccccc12 38657653 MMNWIYHJEKIZPB-VWLOTQADSA-N 452.897 5.931 50 10 JKGE C=CCOc1ccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4cccc5ccccc45)ccc32)cc1 38658182 QPMUDHOXHXSJKG-NDEPHWFRSA-N 474.516 5.842 50 10 JKGE CCCCOc1ccccc1C(=O)Oc1ccc2c(c1)OC(N)=C(C#N)[C@@H]2c1cccc(F)c1 38678348 GXDWSPJEHXZGGA-RUZDIDTESA-N 458.489 5.442 50 10 JKGE CCOc1ccccc1C(=O)Oc1ccc2c(c1)OC(N)=C(C#N)[C@@H]2c1ccccc1Br 38678921 BBQAOAHLOGVODH-HSZRJFAPSA-N 491.341 5.285 50 10 JKGE CCCCCOc1ccccc1[C@H]1C(C#N)=C(N)Oc2cc(OC(=O)c3cccc([N+](=O)[O-])c3)ccc21 38686230 POTGQHQXADLDSK-AREMUKBSSA-N 499.523 5.601 50 10 JKGE Cc1c(C(=O)N2CCCc3ccccc32)oc2c1/C(=N/NC(=O)c1ccccc1Cl)CCC2 40812693 BSVKVQXFGAGUSV-VFCFBJKWSA-N 461.949 5.305 50 10 JKGE CCc1ccc(NC(=O)c2oc3c(c2C)/C(=N/NC(=O)c2cncc(Br)c2)CCC3)cc1 40822967 YHEIXPPEEYMZNB-TURZUDJPSA-N 495.377 5.031 50 10 JKGE CCc1cc(Br)ccc1OCC(=O)N/N=C/c1ccc(OCc2ccccc2)c(OC)c1 40959874 XPQAACOMMUNOAG-JFLMPSFJSA-N 497.389 5.128 50 10 JKGE CCCc1ccc(OCC(=O)N/N=C/c2ccc(OCc3ccccc3)cc2)c(Br)c1 40960038 SXGVPQIANVKSPT-JVWAILMASA-N 481.390 5.510 50 10 JKGE CCOC(=O)/C(C#N)=C\c1ccc(OC(=O)CCCOc2ccc(C(C)(C)C)cc2)c(OC)c1 98026982 SDLJXLQOJYIKRK-SILNSSARSA-N 465.546 5.227 50 10 JKGE CCOc1ccc(N2C(=O)[C@H](Cc3ccccc3C)S/C2=C(/C#N)C(=O)Nc2ccccc2C)cc1 101245154 KVNNZCYLCFUKDM-IYQUHZLLSA-N 497.620 5.767 50 10 JKGE COc1cc(/C=C(\C#N)c2nc(-c3ccc4c(c3)OCO4)cs2)ccc1OCc1ccccc1 102902854 XZEKGTHSBKTGEN-SRZZPIQSSA-N 468.534 6.191 50 10 JKGE N#C/C(=C/c1ccc(-c2cc(C(F)(F)F)ccc2Cl)o1)C(=O)Nc1cccc(Cl)c1Cl 102957600 DIIODABDLAVJOH-FLIBITNWSA-N 485.676 7.471 50 10 JKGE Fc1c(F)c(F)c([C@@H](Cl)c2cc(Br)sc2Br)c(F)c1F 109825142 ZMERRRCQRVWPEU-YFKPBYRVSA-N 456.455 6.297 50 10 JKGE O=c1[nH]c2cc(Br)c([C@H](Br)c3ccc(Br)cc3Cl)cc2[nH]1 109884156 BAUZHDULPQMFAT-CYBMUJFWSA-N 495.396 5.519 50 10 JKGE CCOc1ccc([C@@H](Br)c2ccc(Br)cc2F)c(Br)c1 123769091 FYSPFHZPNSXATO-OAHLLOKOSA-N 466.970 6.234 50 10 JKGE FC(F)(F)Oc1ccc([C@H](Cl)c2cc(Br)sc2Br)cc1 131391856 XJWWPGQZOKBZLK-JTQLQIEISA-N 450.501 6.500 50 10 JKGE COc1cc([C@@H](Br)c2cccc(Br)c2C)c(OC)cc1Br 134295214 DGBZKNQWYXJEJQ-INIZCTEOSA-N 479.006 6.022 50 10 JKGE Clc1cc([C@H](Br)Cc2cccc(Br)c2)ccc1Br 149057121 SMAMPPSNPAMNMF-CYBMUJFWSA-N 453.399 6.544 50 10 JKGE CC[C@H](C)c1ccc([C@H](Br)c2ccc(I)c(Cl)c2)cc1 232342872 ZVNWUAUYGFAFKT-GTNSWQLSSA-N 463.584 6.942 50 10 JKGE COc1ccc(Br)cc1[C@@H](Cl)c1cc(Br)cc(Br)c1 234844389 ARFSKCVBTROZKN-AWEZNQCLSA-N 469.398 6.311 50 10 JKGE O=C(CSc1nnc(SCc2cccc3ccccc23)s1)NN=C/C=C\c1ccco1 254498176 OXDZZYGZTKSWKG-QJNLDNBYSA-N 466.613 5.484 50 10 JKGE CCC(=NNC(=O)c1cc(-c2ccc(CC)cc2)nc2c(Cl)cccc12)c1cc(C)ccc1C 254520732 TZDPKKGEHPDMAA-UHFFFAOYSA-N 470.016 7.279 50 10 JKGE Fc1cc(Br)cc([C@@H](Br)c2cc3c(cc2Br)OCC3)c1 308421616 XVWUCGFDRTWLLV-OAHLLOKOSA-N 464.954 5.770 50 10 JKGE Cc1cc(C)c([C@H](Cl)c2cc(Br)cc(Br)c2)c(C)c1Br 312310337 XBXFRCAGGONQHJ-MRXNPFEDSA-N 481.453 7.228 50 10 JKGE O=C1Cc2cc([C@@H](Br)c3ccc(Br)cc3)c(Br)cc2N1 312539164 IARMDFDOCYLNHS-HNNXBMFYSA-N 459.963 5.191 50 10 JKGE Fc1cccc(C(CBr)(CBr)Cc2ncccc2Br)c1 380839756 XCVIIXNDOOZVCX-UHFFFAOYSA-N 465.986 5.254 50 10 JKGE Cc1cc([C@H](Br)c2cc(Br)cc(Br)c2)c(C)cc1F 386389580 FULSRTZUONGVCD-OAHLLOKOSA-N 450.971 6.452 50 10 JKGE CC(C)(C)C[C@H](CBr)NC(=O)c1ccc(Br)cc1Br 393468853 JMZUHPLIJFFEKA-SNVBAGLBSA-N 456.016 5.141 50 10 JKGE BrCc1ccc(N2CC[C@H]3CC[C@@H](C2)N3Cc2ccccc2)cc1Br 399834968 LANPCRWUCRKIRI-QUCCMNQESA-N 464.245 5.587 50 10 JKGE CC(C)(C)OC(=O)NCCN1CCO[C@@H](c2ccc(CCO[Si](C)(C)C(C)(C)C)cc2)CC1 616596272 VGGMXBSHDBWDJP-HSZRJFAPSA-N 478.750 5.539 50 10 JKGE CC(C)(C)[Si](C)(C)OCCN1CCOC[C@H](c2ccc(CO[Si](C)(C)C(C)(C)C)cc2)C1 616663237 KKGGXBJHNTZBQJ-XMMPIXPASA-N 479.854 6.646 50 10 JKGE COc1cc(Br)ccc1[C@@H](Br)c1ccc(F)c(Br)c1F 691518516 YGZWSDNKFZLAKD-GFCCVEGCSA-N 470.933 5.983 50 10 JKGE CC1(C)C[C@@H](Br)C[C@H](NC(=O)c2cc(Br)sc2Br)C1 693892909 BJJIWSQYIRXPLT-YUMQZZPRSA-N 474.056 5.345 50 10 JKGE Fc1ccc(-n2c(CCl)nc3cccc(Br)c32)c(I)c1 697734251 GDJBXFRSLXHYKF-UHFFFAOYSA-N 465.491 5.271 50 10 JKGE COCc1cc(Br)c([C@H](Br)c2ccc(Br)c(F)c2)s1 710902849 NBZGUCQCTOAQIP-GFCCVEGCSA-N 472.999 6.043 50 10 JKGE N#Cc1cccc(NC(=O)[C@@H](c2cccs2)N(C(=O)CCl)c2cccc(C(F)(F)F)c2)c1 725237491 ISHJHDVVQWNOES-HXUWFJFHSA-N 477.895 5.590 50 10 JKGE C=CCc1cc(/C=C(\C#N)C(=O)Nc2ccc(C)cc2)ccc1OCc1ccc(C(=O)O)cc1 1083954523 BGHLTHJHAZVAAJ-LFVJCYFKSA-N 452.510 5.546 50 10 JKGE O=C(CSc1c(Cl)c(Cl)c(Cl)c(Cl)c1Cl)NN=Cc1ccc(O)cc1O 1084447100 FBDIFHXXFQYMMO-UHFFFAOYSA-N 474.580 5.607 50 10 JKGE Cc1occc1-c1nnc(SCC(=O)N/N=C2\C[C@H]3CC[C@@]2(C)C3(C)C)n1Cc1ccccc1 1087614104 RJAZUHSBIUPDQG-IIAZWMSMSA-N 477.634 5.305 50 10 JKGE Cc1c(C(=O)Nc2cccc3ccccc23)oc2c1C(=NNC(=O)c1ccc3ccccc3n1)CCC2 1772751405 QKXIYHKRCVAAGW-UHFFFAOYSA-N 488.547 6.012 50 10 JKGE CC(C)(C)c1ccc([C@@H]2C(C#N)=C(N)Oc3c2c(C(F)(F)F)nn3-c2ccc(Cl)cc2)cc1 1865681922 AREHJRRUQBTCIW-GOSISDBHSA-N 472.898 6.060 50 10 JKGE CCCc1nn(Cc2cccc(Cl)c2)c2c1[C@@H](c1cccc3ccccc13)C(C#N)=C(N)O2 1865682400 NQWAPMCRMHUKOB-DEOSSOPVSA-N 454.961 5.909 50 10 JKGE CCCc1nn(-c2ccc(Cl)cc2)c2c1[C@H](c1cccc(Br)c1)C(C#N)=C(N)O2 1865684025 LJBRYQBDGAJVCS-LJQANCHMSA-N 469.770 5.459 50 10 JKGE CCCCCOc1ccc([C@H]2C(C#N)=C(N)Oc3c2c(C)nn3Cc2ccc(Cl)cc2)cc1 1865689696 COOMPSJYWVLEJI-DEOSSOPVSA-N 462.981 5.680 50 10 JKGE CCOc1cccc([C@@H]2C(C#N)=C(N)Oc3c2c(-c2ccc(OC)cc2)nn3-c2ccc(C)cc2)c1 1865690324 OPBGPTDYMWDPMH-RUZDIDTESA-N 478.552 5.473 50 10 JKGE C=CCOc1ccccc1[C@@H]1C(C#N)=C(N)Oc2c1c(CC)nn2Cc1c(F)cccc1Cl 1865691230 NKHDSWSWSSLMFZ-JOCHJYFZSA-N 464.928 5.069 50 10 JKGE CCCOc1cccc([C@H]2C(C#N)=C(N)Oc3c2c(C(F)(F)F)nn3Cc2ccccc2F)c1 1865694136 QGHLPIUOWZHHSS-IBGZPJMESA-N 472.442 5.096 50 10 JKGE Cc1nn(-c2ccccc2)c2c1[C@@H](c1ccccc1OCc1ccccc1Cl)C(C#N)=C(N)O2 1865702815 FXFLSFYQUROIQN-VWLOTQADSA-N 468.944 5.631 50 10 JKGE Cc1nc(NC(=O)/C(C#N)=C/c2cccc(Br)c2)sc1C(=O)Nc1ccccc1 1866131857 QHZMEJPZXKRXQF-XNTDXEJSSA-N 467.348 5.012 50 10 JKGE CC[C@H]1Cc2cc(OC)ccc2N(c2cc(Nc3ccc(SC#N)cc3)nc(C(C)(C)C)n2)C1 1868341863 BMMWEAVWLZCUKM-SFHVURJKSA-N 473.646 6.820 50 10 JKGE N#C/C(=C(/O)CCN1C(=O)c2ccccc2C1=O)c1nc(-c2ccc(Cl)c(Cl)c2)cs1 1872749014 XNYSBNHUORFJEQ-CYVLTUHYSA-N 470.337 5.596 50 10 JKGE Cc1c([N+](=O)[O-])cc(/C(O)=C(\C#N)c2nc(-c3ccc(C(C)C)cc3)cs2)cc1[N+](=O)[O-] 1872751745 DKQKUQMRKXYLFD-FXBPSFAMSA-N 450.476 6.008 50 10 JKGE CCOc1ccc(OCC)c(-c2csc(/C(C#N)=C(\O)COc3ccc(C)cc3C(C)(C)C)n2)c1 1872754981 SJRARIVCJHPMBZ-FLFQWRMESA-N 492.641 7.085 50 10 JKGE CC(C)(C)c1ccc(C(=O)NC/C(O)=C(\C#N)c2nc(-c3ccc(Cl)s3)cs2)cc1 1872757588 MVZNBZWVENCKER-ICFOKQHNSA-N 458.008 6.045 50 10 JKGE CCCOc1ccc(-c2csc(/C(C#N)=C(\O)c3ccc(OCC)cc3)n2)cc1OCCC 1872818008 IDVOSZUBMBKVKN-DAFNUICNSA-N 464.587 6.736 50 10 JKGE CC1(C)CN(c2cc(Br)cc(F)c2CBr)CCCN1Cc1ccccc1 1879327138 QQZDXWGPWMBRRO-UHFFFAOYSA-N 484.251 5.974 50 10 JKGE Cc1c(Br)sc([C@@H](Cl)c2cnsc2Br)c1Br 1900453702 YMUPDPMBDHGFRP-LURJTMIESA-N 466.445 6.129 50 10 JKGE ClCC[C@H](COCc1ccccc1)NCc1ccc(Cl)c(I)c1 1902886047 CQXSZENIMZHRBQ-MRXNPFEDSA-N 464.174 5.249 50 10 JKGE FC1CC(CBr)(Cc2ccc(I)c(Br)c2)C1 1904346755 VSIMHBSZXXWKJE-UHFFFAOYSA-N 461.938 5.109 50 10 JKGE Cn1nc(CN(Cc2ccccc2)[C@H](CBr)C2CC2)c(Br)c1Cl 1915189097 MEJPKLLEWRTWSA-OAHLLOKOSA-N 461.629 5.012 50 10 JKGE Cc1c(Br)sc([C@@H](Cl)c2nn(C)cc2Br)c1Br 1922880482 DOGGPGABYSKZSS-ZETCQYMHSA-N 463.420 5.406 50 10 JKGE Cl[C@@H](c1csc(Br)c1)c1sc(Br)cc1Br 1922922259 ZVPCLORAXQHQRP-QMMMGPOBSA-N 451.430 6.425 50 10 JKGE Brc1sc(Br)c([C@@H](Br)C2CCC2)c1Br 1924577097 XBKVQUPTGJKWBD-LURJTMIESA-N 467.846 6.272 50 10 JKGE CC(F)(F)C(C)(C)[C@H](Cl)c1c(Br)sc(Br)c1Br 1924604886 JOWSFLPDNVEIME-ZCFIWIBFSA-N 475.418 6.997 50 10 JKGE Cl[C@H](c1c(Br)sc(Br)c1Br)[C@@]12CCC[C@@H](C1)OC2 1925061470 MIERWYRNLWPEOJ-RMUHFYJVSA-N 479.459 6.275 50 10 JKGE Brc1sc(Br)c([C@H](Br)[C@@]23CC[C@H]2C3)c1Br 1935461454 CKPWBIMOBGDRJW-WXLWJSHRSA-N 479.857 6.272 50 10 JKGE Cl[C@H](c1c(Br)sc(Br)c1Br)[C@H]1C2C[C@@H]3C1[C@@H]3C2 2016551799 HSJFDZLTBDVFQB-BXMSNFNYSA-N 461.444 6.218 50 10 JKGE O=C(NC1(CBr)CCCCC1)c1csc(Br)c1Br 2032953641 NIMZTTGURARNAT-UHFFFAOYSA-N 460.029 5.101 50 10 JKGE FC(F)(F)c1sccc1[C@@H](Br)c1cc(Br)c(Br)s1 2039895776 ZZYLGSXZMAPVKK-SSDOTTSWSA-N 484.982 6.838 50 10 JKGE CCCOc1ccc(Br)cc1C=C(C#N)S(=O)(=O)c1ccc(Br)cc1 2042447733 WZHZCONSHIOFTA-UHFFFAOYSA-N 485.197 5.339 50 10 JKGE C[C@]1(C(F)(F)F)C[C@H]1[C@@H](Br)c1c(Br)sc(Br)c1Cl 2043571756 WVGCZNSJKKCHLW-MYCDHDFLSA-N 491.392 6.951 50 10 JKGE Clc1c(Br)sc(Br)c1[C@H](Br)C1CC(C2CCC2)C1 2056676858 FNWPHKYIVPEMDO-SFVIPPHHSA-N 477.487 7.189 50 10 JKGE CC(C)(C)OC(=O)N1C[C@@](C)(CO[Si](C)(C)C(C)(C)C)c2cc(Br)cc(C#N)c21 2069448876 QEKZXZJSHYHPBT-QFIPXVFZSA-N 481.507 6.355 50 10 JKGE FC(F)(F)c1ccc(Cn2nc(CBr)c(Br)c2C(F)(F)F)cc1 2079232111 NOBBFPLBDPAWCT-UHFFFAOYSA-N 466.017 5.626 50 10 JKGE COc1c(Cl)cc(Br)cc1[C@H](Br)c1ccsc1Br 2082860782 GMYRQBPUUYXTCM-SNVBAGLBSA-N 475.427 6.419 50 10 JKGE C[C@H]1CCCN(Cc2ccc(Br)cc2Br)[C@@H]1CCBr 2092264993 GAQJUJCCVGKCNN-XHDPSFHLSA-N 454.044 5.597 50 10 JKGE O=[N+]([O-])c1ccc(C[C@H](Br)c2csc(Br)c2Br)cc1 2093941966 HFDRPPSBNCQLEE-JTQLQIEISA-N 469.980 5.860 50 10 JKGE CCc1ncc(COc2c(Br)cc(Br)cc2CBr)s1 2116348878 HJQDXNJZEAZFDS-UHFFFAOYSA-N 470.024 5.704 50 10 JKGE CO[C@H]1C[C@@H]([C@@H](Cl)c2c(Br)sc(Br)c2Br)C[C@H]1OC 2118284681 CSBKHDOZLWIBPG-JTGULSINSA-N 497.474 5.756 50 10 JKGE O=C(c1cc(Br)c(Br)s1)N1CC2(CBr)CCC1CC2 2122356630 TYVYEYOKTSDNST-UHFFFAOYSA-N 472.040 5.053 50 10 JKGE CC1(C)CC[C@@H](Cc2cc(Cl)ccc2I)[C@H](Br)CC1 2122940828 HHHRQUVXKYOPLX-SMDDNHRTSA-N 455.605 6.467 50 10 JKGE COC[C@@H]1CC[C@@H](Cc2cccc(Br)c2Br)C[C@H]1Br 2127210054 JYVRJHQVFUSLNF-VHRBIJSZSA-N 455.028 5.580 50 10 JKGE Fc1cc(Br)c([C@@H](Cl)c2ccccc2I)c(F)c1Cl 2136966106 GSBSVPVBQQQRAI-NSHDSACASA-N 477.901 6.314 50 10 JKGE Cc1cc(Br)c(CBr)c(N2C[C@](C)(F)[C@@](C)(Br)C2)c1 2140741847 MQVPBZFKRWPUFG-KBPBESRZSA-N 458.007 5.354 50 10 JKGE Cc1cc(Br)c([C@@H](Br)C[C@H](C(F)F)C(C)(C)C)cc1Br 2167667256 CNWZBBLIWIOKIX-MFKMUULPSA-N 477.025 7.274 50 10 JKGE COc1c(C)cc(Br)c(C)c1[C@@H](Cl)c1cc(Br)c(Cl)s1 2172568715 FNFUYUZYZKMGMJ-LBPRGKRZSA-N 459.030 6.880 50 10 JKGE C[C@@H](c1cc(Br)cs1)n1c(CCl)nc2cc(I)ccc21 2177658331 TUMRBRLTQNIXAJ-QMMMGPOBSA-N 481.584 5.813 50 10 JKGE Br[C@H](c1sccc1I)c1c2c(cc3c1CCC3)CCC2 2193145278 LNGNWDINUOGKMI-INIZCTEOSA-N 459.190 5.814 50 10 JKGE COc1cc(F)c(Cl)cc1[C@H](Br)c1cccc(C)c1I 2207364259 RSLBLPNCDHIOQH-CQSZACIVSA-N 469.519 5.885 50 10 JKGE Cc1cc(C)c([C@H](Br)c2c(Br)sc(Br)c2Cl)s1 2213681517 HVFMBEQGMNVYHF-SSDOTTSWSA-N 479.484 7.089 50 10 JKGE Cc1c(Br)sc([C@@H](Br)c2ccc(F)cc2Br)c1C 2218791897 VDHWDDRVHWKTRI-NSHDSACASA-N 457.000 6.513 50 10 JKGE Brc1cnsc1[C@@H](Br)c1ccc2c(c1Br)CCO2 2222172201 HSTFXGCHYNVMMZ-NSHDSACASA-N 453.981 5.087 50 10 JKGE COc1c(Cl)cc(Br)cc1[C@@H](Br)c1sc(C)cc1Br 2229300309 HGQQRRHIPSKLFN-LLVKDONJSA-N 489.454 6.728 50 10 JKGE CCOCc1cc(Br)c([C@H](Br)c2sc(C)cc2Br)s1 2229318133 QJXULQWJSHBTCB-LLVKDONJSA-N 489.092 6.664 50 10 JKGE BrCc1cc(Br)c(OC[C@@H]2OC[C@H]3CCC[C@@H]32)c(Br)c1 2233362307 UBWMTWMZYSTFLP-SUNKGSAMSA-N 469.011 5.300 50 10 JKGE Cc1cc(Br)c([C@H](Br)[C@@H]2[C@H]3CCC(F)(F)[C@H]32)c(C)c1Br 2235602456 DLLMFTAOTAQTGU-PBFTVQBMSA-N 472.993 6.556 50 10 JKGE Cc1cc(Br)c([C@@H](Br)c2ccccc2OCc2ccccc2)c(C)c1F 2264488909 CPIKIWYONPWURZ-NRFANRHFSA-N 478.199 7.268 50 10 JKGE CN(Cc1ccccc1I)c1ccc(CBr)cc1Cl 2265546655 PAIAFIWTEXBTKM-UHFFFAOYSA-N 450.545 5.476 50 10 JKGE CC(C)Cc1ccc([C@H](Br)c2c(F)cccc2I)s1 2267662535 DWRBRILNKLSEHM-HNNXBMFYSA-N 453.158 6.175 50 10 JKGE Cc1cc(C(F)(F)F)sc1[C@@H](Cl)c1cc(Br)c(Br)s1 2277878990 LIALCZYPUIRDTP-QMMMGPOBSA-N 454.558 6.990 50 10 JKGE Brc1cc(Br)cc(C[C@H](Br)[C@@H]2[C@H]3CCCCC[C@H]32)c1 2277956016 ONIIEGCJBIUHHG-XUWVNRHRSA-N 451.040 6.344 50 10 JKGE Cc1ccc(Cl)c([C@H](Br)Cc2cc(Br)cc(Br)c2)c1 2277966095 PYHQGORCKWGMJS-CQSZACIVSA-N 467.426 6.852 50 10 JKGE C=CC[C@]1(CBr)CCN(C(=O)c2cc(Br)cc(Br)c2)C1 2287747376 IFGQLPBPHOJWCV-OAHLLOKOSA-N 466.011 5.015 50 10 JKGE Fc1cc(Br)c(F)c(Br)c1[C@H](Br)C1(C(F)(F)F)CCC1 2288374330 RNPMMBRLWOOHON-JTQLQIEISA-N 486.898 6.658 50 10 JKGE Cc1c(Cl)cccc1[C@H](Br)c1c(F)cc(Br)c(F)c1Br 2288493529 UKBBWGRDKIWGOD-LBPRGKRZSA-N 489.379 6.936 50 10 JKGE COc1cc(C=C(C#N)C(=O)Nc2cccc(C(=O)O)c2)ccc1OCc1ccccc1Cl 2295459599 DTIQPNSWEDSJPM-UHFFFAOYSA-N 462.889 5.171 50 10 JKGE Cc1cc(Oc2cccc(C(F)(F)F)c2)nc(C2CCN(C(=O)[C@H](Cl)C(C)C)CC2)n1 2296578584 YSOAPFAIKREWSQ-LJQANCHMSA-N 455.908 5.566 50 10 JKGE COc1cc(C=C(C#N)c2nc3ccc(C)cc3[nH]2)c(Br)cc1OCc1ccccc1 2297369686 XWCRIBLBVPVPQF-UHFFFAOYSA-N 474.358 6.286 50 10 JKGE COc1ccc(C=C(C#N)C(=O)Nc2ccc([N+](=O)[O-])cc2)cc1OC(=O)c1cccc2ccccc12 2297491149 CJVJAUAGLPKEAU-UHFFFAOYSA-N 493.475 5.521 50 10 JKGE CCN[C@H](c1cc(Br)ccc1OCc1ccccc1)[C@H]1C[C@@H](Br)C1 2299530283 KRRNRQHVAYMSOA-VPWXQRGCSA-N 453.218 5.852 50 10 JKGE CCOc1cc(C=C(C#N)C(=O)Nc2cccc(C)c2C)ccc1OCc1ccc(Cl)cc1Cl 2313667699 RQMFCTSEVYYEMP-UHFFFAOYSA-N 495.406 7.134 50 10 JKGE Cc1ccc(F)cc1[C@@H](Br)c1cc(Br)ccc1OCc1ccccc1 2314449763 SMQCQFGCIAAPBL-OAQYLSRUSA-N 464.172 6.960 50 10 JKGE COc1ccc(N2C(=O)[C@@H](Cc3ccccc3F)SC2=C(C#N)C(=O)Nc2ccccc2C)cc1 2314592187 NNCBXTSSTYEBHC-XMMPIXPASA-N 487.556 5.208 50 10 JKGE CCCCCCCOc1ccc(C=C2C(=O)N(CCCOCC)C(=O)C(C#N)=C2C)cc1OCC 2314618789 UIMHRIQEMDZXLR-UHFFFAOYSA-N 482.621 5.453 50 10 JKGE COc1ccc(C=CC(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@@H]3c2cccc(Cl)c2)cc1 2314634049 GPDXMFPVDMDQPS-RUZDIDTESA-N 458.901 5.186 50 10 JKGE CO[C@]1(C(F)F)C[C@H]([C@H](Br)c2sc(Cl)cc2I)C1 2320067161 POQMVJZNVOMMRO-HCPJGSBBSA-N 471.532 5.502 50 10 JKGE C[C@H]1CCc2c(sc3nc(SCC(=O)C(C#N)=C4Nc5ccccc5S4)nc(O)c23)C1 2320729582 XLERDDFWPBPCFH-NSHDSACASA-N 466.613 5.136 50 10 JKGE CC(C)(C)OC(=O)NCCCCCC(=O)NN=Cc1ccc(OCc2cccc(Cl)c2)cc1 2328801182 SXZQRQCEULHVEU-UHFFFAOYSA-N 474.001 5.454 50 10 JKGE COc1cccc(C=C(C#N)c2nc3ccccc3[nH]2)c1OCc1ccc(Br)cc1 2331021326 LVOQJHREWGGLJI-UHFFFAOYSA-N 460.331 5.977 50 10 JKGE CCc1ccc(-c2csc(C(C#N)=C(O)c3ccc4c(c3)C(=O)N([C@@H](C)CC)C4=O)n2)cc1 2331245387 FWXFPMVQTLNCDY-HNNXBMFYSA-N 457.555 5.717 50 10 JKGE C[C@H](Oc1ccc(Cl)cc1Cl)C(O)=C(C#N)c1nc(-c2cccc(Cl)c2)cs1 2331294437 SIUYKABEMATRSY-NSHDSACASA-N 451.762 7.030 50 10 JKGE N#CC(=C(O)c1ccccc1I)c1nc(-c2ccc(Cl)cc2)cs1 2331300822 QOVIGQYRMVAMIO-UHFFFAOYSA-N 464.715 6.018 50 10 JKGE Cc1cc(C)c(-c2csc(C(C#N)=C(O)[C@H](C)Oc3ccc(Cl)cc3Cl)n2)c(C)c1 2331394409 DTHPQHMUHWGKLH-HNNXBMFYSA-N 459.398 7.302 50 10 JKGE COc1ccc(CC(O)=C(C#N)c2nc(-c3cc(Cl)c(OC)c(Cl)c3)cs2)c(OC)c1 2331396455 AVNWPARHZKUDRI-UHFFFAOYSA-N 477.369 6.178 50 10 JKGE COc1ccc(-c2csc(C(C#N)=C(O)C=Cc3ccc(OC)c(OC)c3)n2)cc1Cl 2331398064 ASWJPBIUJJDCQT-UHFFFAOYSA-N 454.935 5.995 50 10 JKGE CCOc1cc(C=C(C#N)c2nc(-c3ccc([N+](=O)[O-])cc3)cs2)ccc1OCc1ccccc1 2331432455 ATEOLXFMHPXSNV-UHFFFAOYSA-N 483.549 6.760 50 10 JKGE CCC[C@@H](C(C)C)[C@H](Br)c1c(Cl)cc(Br)c(F)c1Br 2337082789 QFJGKLIVXKQFRW-UFBFGSQYSA-N 479.453 7.512 50 10 JKGE Cl[C@H](c1c(Br)sc(Br)c1Br)[C@@H]1C[C@H]2CCC[C@H]1CC2 2338741075 KYUWTNSQIUUGIX-UOKLYIGXSA-N 491.514 7.532 50 10 JKGE Clc1ccc(CN2CC[C@H]3CC[C@@H](Br)[C@H]2C3)c(I)c1 2341053717 YZNLFTGVOYKZSH-WDBKCZKBSA-N 454.577 5.083 50 10 JKGE ClC[C@H](NCc1ccc(I)c(Br)c1)C1CCCCC1 2349830142 QOMIJLUDPWMJMZ-HNNXBMFYSA-N 456.593 5.331 50 10 JKGE C[C@H](Br)C12CCC(CC1)N2Cc1ccc(I)c(Br)c1 2349861519 XTYOWUJPVQSERZ-VLRKGOCCSA-N 499.028 5.334 50 10 JKGE Brc1cc(OCc2ccccc2)ccc1[C@H](Br)[C@@H]1CCC[C@@H]2CCCC[C@H]21 2361196111 VASUXIRFRBUQJL-RPLOAYLJSA-N 492.295 8.071 50 10 JKGE CC(C)[C@@H](NC(=O)OC(C)(C)C)c1csc(NC(=O)[C@H](Br)C2CCCC2)n1 2362644439 DXKDKSPWTFZYQB-HUUCEWRRSA-N 460.438 5.257 50 10 JKGE CC(C)(C)OC(=O)NCC[C@@H]1CCN(CCCCCCBr)[C@@H](C(F)(F)F)C1 2362815224 WWCDEAITCDTMHP-HZPDHXFCSA-N 459.391 5.499 50 10 JKGE CCCCCCCCCCC[C@@H](Br)c1sc(Cl)cc1I 2363892108 OHEXSPGIVDHWAB-CYBMUJFWSA-N 491.704 8.363 50 10 JKGE COc1c(Br)cc(C)c([C@H](Br)[C@@H]2[C@H]3CCOC[C@@H]32)c1Br 2365235692 MBSYANYZEAXCIH-NGERZBJRSA-N 469.011 5.247 50 10 JKGE Clc1cc([C@H](Br)c2cc3c(cc2Br)OCCC3)c(Cl)s1 2369640103 LTMPQLZTCSPYJC-CYBMUJFWSA-N 457.014 6.627 50 10 JKGE Cc1ccc(CN(C(=O)CCl)[C@H](C(=O)NC2CCCCCC2)c2ccc(Cl)cc2)cc1 3038800 QVOLBIZAUNDPJP-DEOSSOPVSA-N 461.433 5.796 50 10 JKGE N#C/C(=C/c1cccc(OC(=O)CCCOc2ccc(Cl)cc2Cl)c1)c1ccc(Cl)cc1 31903068 JZUSDKXMRRQLCK-UYRXBGFRSA-N 486.782 7.476 50 10 JKGE CC(C)c1ccc(/C=C(/C#N)C(=O)Nc2nc(-c3ccc(Br)cc3)cs2)cc1 33378041 FDYXLWAFTKABOP-WQRHYEAKSA-N 452.377 6.242 50 10 JKGE CCOC(=O)c1c(-n2c(C)cc(/C=C(\C#N)C(=O)Nc3ccccc3C)c2C)sc2c1CCCC2 33409236 VAZDRBQVBXRFAY-RCCKNPSSSA-N 487.625 6.065 50 10 JKGE COc1cc(/C=C(\C#N)C(=O)Nc2ccc(C(C)C)cc2)ccc1OCC(=O)Nc1ccccc1 35519979 GPVQPDBIPSIRGO-PXLXIMEGSA-N 469.541 5.382 50 10 JKGE CC(C)COc1ccc(C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@H]3c2ccc(C(C)(C)C)cc2)cc1 38649810 MNGWBZSHOOYDGG-NDEPHWFRSA-N 496.607 6.456 50 10 JKGE CCCCOc1cccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4ccc(F)cc4)ccc32)c1 38685076 OOTQRZZLMMAIRE-RUZDIDTESA-N 458.489 5.442 50 10 JKGE C=CCOc1cccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4ccc(OC)c(Cl)c4)ccc32)c1 38701110 PRTULSOOELRORW-VWLOTQADSA-N 488.927 5.351 50 10 JKGE COc1ccc(-c2nn(-c3ccccc3)cc2/C=C(\C#N)S(=O)(=O)c2ccc(C)c(C)c2)cc1 39850272 ZMHQPXMJEMCUHF-WGOQTCKBSA-N 469.566 5.503 50 10 JKGE Cc1ccccc1NC(=O)/C(C#N)=C\c1c(Oc2ccc(Cl)cc2Cl)nc2ccccn2c1=O 39858840 KKQUNNTXQOVTQN-VBKFSLOCSA-N 491.334 5.648 50 10 JKGE COC(=O)c1c(NC(=O)/C(C#N)=C/c2ccc(-c3ccccc3F)o2)sc2c1CCCC2 39884914 IBKCVJAECRJKAZ-WYMLVPIESA-N 450.491 5.358 50 10 JKGE Cc1cccc(C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@H]3c2cccc(OCCC(C)C)c2)c1 40529955 ZAFSDQWOAKSNEU-MHZLTWQESA-N 468.553 5.857 50 10 JKGE Cc1cccc(C(=O)N/N=C2\CCCc3oc(C(=O)Nc4cccc5cccnc45)c(C)c32)c1 40811420 MIFDVGQKNOMYQH-TWKHWXDSSA-N 452.514 5.167 50 10 JKGE Brc1cc([C@H](Br)[C@@H]2COc3ccccc32)c(Br)s1 70391808 HRTVBETWUZOWLB-SKDRFNHKSA-N 452.993 5.885 50 10 JKGE BrC[C@H](CCOc1cccc(Br)c1)Cc1ccc(Br)cc1 97183100 WUTVXTJGAUGTEZ-CQSZACIVSA-N 477.034 6.234 50 10 JKGE COc1ccccc1NC(=O)/C(C#N)=C1\S[C@@H](Cc2ccccc2)C(=O)N1c1ccc(C(C)C)cc1 101246502 QSBKQKVGWJVPDI-TUJXDINHSA-N 497.620 5.884 50 10 JKGE CC1=C(C#N)C(=O)N(CCc2ccccc2)C(=O)/C1=C/c1ccc(OCc2ccc(F)cc2)cc1 101338275 MPYWCJRHHLWGJD-YZSQISJMSA-N 466.512 5.240 50 10 JKGE COc1ccc(C[C@@H](Br)c2cc(Br)sc2Br)cc1OC 109870004 RZGGJSIEBMCSMQ-SNVBAGLBSA-N 485.035 5.969 50 10 JKGE CCCCOCCC(CBr)(CBr)c1cccc(Br)c1 118671868 ZZOFHTULPYXVGJ-UHFFFAOYSA-N 457.044 5.684 50 10 JKGE C[C@H](O[Si](C)(C)C)[C@H]1CC[C@H]2[C@@H]3CC[C@@H]4C[C@H](O[Si](C)(C)C)CC[C@]4(C)[C@H]3CC[C@]12C 195793515 PSZRAFDARWUCMW-SYIGOELASA-N 464.883 8.105 50 10 JKGE CCCCCCOc1ccc(/C=C2\C(=O)N(CCc3ccccc3)C(=O)C(C#N)=C2C)cc1OC 214350128 WPKAEQQJUTYSMP-MOHJPFBDSA-N 472.585 5.489 50 10 JKGE Cc1cc([C@H](Br)c2ccc(I)c(Cl)c2)c(F)cc1F 232344480 PBDYEXXWXLEIIP-CQSZACIVSA-N 457.483 6.016 50 10 JKGE Fc1cc(Cl)ccc1COc1c(Br)cc(CBr)cc1Br 236142586 DYANYQZQBVAQCK-UHFFFAOYSA-N 487.388 6.478 50 10 JKGE CC(=NNC(=O)c1ccc(COc2cc(C)cc(C)c2)o1)c1cccc(NC(=O)C2CCC2)c1 252618946 LLDRHZVBYYMEFT-UHFFFAOYSA-N 459.546 5.368 50 10 JKGE BrCC1(Oc2c(Br)cc(Br)cc2Br)CC1 300789044 UCFPBUZUTAKXNQ-UHFFFAOYSA-N 463.789 5.280 50 10 JKGE CCN(C[C@](C)(CI)OCc1ccc(Cl)cc1)C(=O)OC(C)(C)C 303741345 KXTUIHWMPKONNL-SFHVURJKSA-N 467.775 5.307 50 10 JKGE Cn1ncc([C@@H](Br)c2cc(Cl)c(Br)cc2F)c1Br 379203579 JCXWWQSSMQUQBX-JTQLQIEISA-N 461.354 5.222 50 10 JKGE Cc1ccc(Br)cc1[C@@H]1CN(C(=O)OCc2ccccc2)C[C@@H]1CBr 382708609 GFCMLKHYGRCEAC-QFBILLFUSA-N 467.201 5.505 50 10 JKGE Cc1cccc([C@H]2CN(C(=O)OC(C)(C)C)C[C@@H]2CI)c1Br 382721757 NULZWBYFQQTMFR-JSGCOSHPSA-N 480.184 5.143 50 10 JKGE Fc1ccc(I)cc1[C@@H]1CN(Cc2ccccc2)C[C@H]1CBr 382732595 VGRQYJYJOFKHIB-RHSMWYFYSA-N 474.155 5.041 50 10 JKGE ClCc1c(Br)cccc1Oc1ccc(Br)cc1Br 394858891 ZOBHSABNELDUDL-UHFFFAOYSA-N 455.371 6.505 50 10 JKGE C[C@@H](Cl)c1nc2c(C#N)cccc2n1CC1(N(Cc2ccccc2)Cc2ccccc2)COC1 705611387 SEJGRWGOEZCRBU-OAQYLSRUSA-N 471.004 5.679 50 10 JKGE COc1ccc(C(C)=NNC(=O)c2ccc(OCc3ccc(Br)cc3)cc2)cc1 1084227985 SRKJBOPOTXDWIT-UHFFFAOYSA-N 453.336 5.191 50 10 JKGE COc1cc(C=NNC(=O)c2ccc(CSc3ccccc3)cc2)ccc1OCc1ccccc1 1084543496 AIPRFHMWWVBDQZ-UHFFFAOYSA-N 482.605 6.330 50 10 JKGE O=C(CSc1nc2ccccc2o1)NN=Cc1ccc(OCc2ccc(Cl)cc2)cc1 1084592711 CDKHQDHOKLJDBN-UHFFFAOYSA-N 451.935 5.303 50 10 JKGE Cc1c(C(=O)Nc2ccc(Cl)c(Cl)c2)oc2c1C(=NNC(=O)c1ccc(Cl)cc1)CCC2 1772743854 MFKPLYUYZUFTFM-UHFFFAOYSA-N 490.774 6.271 50 10 JKGE Cc1c(C(=O)Nc2cccc(Cl)c2Cl)oc2c1C(=NNC(=O)c1ccc(O)cc1)CCC2 1772744297 BZZLVBRLKBLRMZ-UHFFFAOYSA-N 472.328 5.323 50 10 JKGE Cc1ccc(OC(=O)c2oc3c(c2C)C(=NNC(=O)c2cccc4ccccc24)CCC3)cc1 1772747651 KGKXMJXJNHONDO-UHFFFAOYSA-N 452.510 5.739 50 10 JKGE CCOc1cc([C@H]2C(C#N)=C(N)Oc3c2c(-c2ccccc2)nn3Cc2ccccc2F)ccc1O 1865681546 QFPDTGYLTPWYMX-DEOSSOPVSA-N 482.515 5.060 50 10 JKGE CCCOc1ccc([C@H]2C(C#N)=C(N)Oc3c2c(C)nn3Cc2c(F)cccc2Cl)cc1OCC 1865687808 AWMSAUKFVWBJFB-DEOSSOPVSA-N 496.970 5.438 50 10 JKGE CCc1nn(-c2cccc3ccccc23)c2c1[C@@H](c1c(OC)ccc3ccccc13)C(C#N)=C(N)O2 1865688636 XOSFKDSRODMULG-HHHXNRCGSA-N 472.548 5.968 50 10 JKGE CCCCOc1ccc([C@@H]2C(C#N)=C(N)Oc3c2c(-c2ccccc2)nn3-c2ccccn2)cc1OC 1865696502 GPQLMMBRFTZOCL-RUZDIDTESA-N 493.567 5.340 50 10 JKGE CCCc1nn(-c2cccc3ccccc23)c2c1[C@@H](c1ccc(C(F)(F)F)cc1)C(C#N)=C(N)O2 1865710917 LIXARBBJMPVYRF-QHCPKHFHSA-N 474.486 6.215 50 10 JKGE COc1ccc(-c2nn(Cc3cccc(Cl)c3)c3c2[C@H](c2ccccc2C)C(C#N)=C(N)O3)cc1 1865712875 KCQNUTUDTAFDBF-XMMPIXPASA-N 482.971 5.787 50 10 JKGE CCOc1ccc(/C=C/C(O)=C(\C#N)c2nc(-c3ccc(Cl)cc3Cl)cs2)cc1OC 1872744975 RKBYFEHJNVUNIR-LLZXCYLFSA-N 473.381 7.030 50 10 JKGE N#C/C(=C(/O)CCc1nc2ccccc2[nH]c1=O)c1nc(-c2ccc(Br)cc2)cs1 1872746322 CDQGMYFIEIHHNJ-HKWRFOASSA-N 479.359 5.235 50 10 JKGE COc1ccc(OC/C(O)=C(\C#N)c2nc(-c3ccccc3OC)cs2)c(C(C)(C)C)c1 1872747184 QXVMEHPLNFQOON-UZYVYHOESA-N 450.560 5.996 50 10 JKGE N#C/C(=C(/O)c1ccc(Cl)c([N+](=O)[O-])c1)c1nc(-c2cccc(Br)c2)cs1 1872747247 UQASWBFMOMHYDY-LGMDPLHJSA-N 462.712 6.084 50 10 JKGE COc1ccc(CCN2C[C@H](/C(O)=C(\C#N)c3nc(-c4ccc(C)cc4)cs3)CC2=O)cc1OC 1872749093 AVURCEPTCFQUQX-FLKYFCFGSA-N 489.597 5.020 50 10 JKGE N#C/C(=C(/O)c1ccc2c(c1)C(=O)N(CCc1ccccc1)C2=O)c1nc(-c2ccc(F)cc2)cs1 1872751883 GJLDYFFCANTJKY-BZZOAKBMSA-N 495.535 5.738 50 10 JKGE CCOc1cc(/C(O)=C(\C#N)c2nc(-c3cccc4ccccc34)cs2)cc(OCC)c1OCC 1872752809 SYBSJBBFRMKHRR-ROMGYVFFSA-N 486.593 7.109 50 10 JKGE CCOc1ccc(/C=C/C(O)=C(\C#N)c2nc(-c3ccc(Oc4ccccc4)cc3)cs2)cc1 1872753960 WFMKBRLFTFLHRY-WSQVVZGUSA-N 466.562 7.507 50 10 JKGE C=CCOc1ccccc1OC/C(O)=C(\C#N)c1nc(-c2cc(Cl)cc(Cl)c2OC)cs1 1872754120 DBYLOBQTQMYPGH-MNDPQUGUSA-N 489.380 6.562 50 10 JKGE COc1cc(/C(O)=C(\C#N)c2nc(-c3c(C)c(C)cc(C)c3C)cs2)cc(OC)c1OC 1872754193 HQYASTLVRBDQMC-NKFKGCMQSA-N 450.560 6.019 50 10 JKGE N#C/C(=C(/O)CCc1nc2ccccc2[nH]c1=O)c1nc(-c2cc(Cl)ccc2Cl)cs1 1872758791 QQRNVOMSQXXOBE-ZHZULCJRSA-N 469.353 5.779 50 10 JKGE O=C(N/N=C/c1ccc(OCc2ccc(Cl)cc2)cc1)c1ccc2[nH]c3c(c2c1)CCCC3 1873498641 ZSGHEARTBPJQTE-MUFRIFMGSA-N 457.961 6.043 50 10 JKGE CC(C)(SC[C@@H]1C[C@@H]1Cl)[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)O 1893108436 SHKJYOZSEOWWHY-SZFUDVHCSA-N 459.995 5.117 50 10 JKGE Cl[C@H](c1ccc(OCc2ccccc2)cc1Br)c1cocc1Br 1899860433 OHNOXOYZBXYAKG-GOSISDBHSA-N 456.561 6.712 50 10 JKGE C[C@H](Cl)c1nc2c(Br)cc(F)cc2n1[C@@H]1CCN(Cc2ccccc2)[C@H]1C 1912665343 VZCBRDPUVFNLAD-SUNYJGFJSA-N 450.783 6.073 50 10 JKGE C[C@H](Br)CN(Cc1ccccc1)Cc1cc(Cl)ccc1I 1914645893 KPXULAKRURWUMX-ZDUSSCGKSA-N 478.599 5.730 50 10 JKGE CCCCCCCCC[C@@H](Br)c1sc(Br)c(C)c1Br 1922883786 PSBNCUABUVPWLO-GFCCVEGCSA-N 475.128 8.158 50 10 JKGE Clc1c(Br)sc(Br)c1[C@@H](Br)[C@@H]1CCc2ccccc2C1 1923071458 IYAGVYAWCFCOGD-PWSUYJOCSA-N 499.493 7.168 50 10 JKGE Brc1cnccc1C[C@@H](Br)c1ccc(I)cc1 1924044269 UYJJMROQCZRZRM-GFCCVEGCSA-N 466.942 5.127 50 10 JKGE Fc1ccc(C[C@H](Cl)c2c(Br)sc(Br)c2Br)c(F)c1 1924600327 QAABKHXQPOOKBA-ZETCQYMHSA-N 495.408 6.836 50 10 JKGE CC[C@@H](C[C@@H](Cl)c1c(Br)sc(Br)c1Br)C(C)(C)C 1924614307 XMNWTYZPKYTWBP-JGVFFNPUSA-N 481.519 7.778 50 10 JKGE FC1(F)[C@@H]([C@@H](Cl)c2c(Br)sc(Br)c2Br)C12CCC2 1924615805 GOMYZEAOHGHZEV-BQBZGAKWSA-N 485.413 6.751 50 10 JKGE Fc1ccc(Cl)cc1[C@H](Br)c1c(Cl)sc(Br)c1Cl 1925586804 DCMNMMBPWXTKGJ-QMMMGPOBSA-N 453.385 7.094 50 10 JKGE Clc1ccc([C@H](Cl)c2c(Cl)sc(Br)c2Cl)cc1Br 1925589160 SBGLSIBOMRGCHO-QMMMGPOBSA-N 469.840 7.562 50 10 JKGE CCn1cc([C@H](Br)c2c(Cl)sc(Br)c2Cl)nc1Br 1925624472 XWBIOQUFDRXYIB-LURJTMIESA-N 497.865 6.281 50 10 JKGE CCCc1ccc([C@@H](Br)c2scc(Br)c2Br)s1 1940264618 JVOCJPIGHJACGW-LLVKDONJSA-N 459.066 6.771 50 10 JKGE BrCc1ccc(N(Cc2ccccc2)CC2CCOCC2)cc1Br 1946744756 PYMWFGIPMSOUSM-UHFFFAOYSA-N 453.218 5.777 50 10 JKGE Cc1sc(Br)c(C(=O)N(C)C[C@@H](Br)COCc2ccccc2)c1C 1951018159 FXRHVWXPPJBCAO-OAHLLOKOSA-N 475.246 5.180 50 10 JKGE Clc1c(Br)cccc1CN(Cc1ccccc1)[C@@H](CBr)C1CC1 1979519528 HBXMFUPWJBBPDM-SFHVURJKSA-N 457.637 6.278 50 10 JKGE ClC1CC(CNc2cc(Br)c(I)c(Br)c2)C1 1991711168 NYTOQEHEYUUUAV-UHFFFAOYSA-N 479.381 5.246 50 10 JKGE O=C(CCCCl)c1c(Br)c(Br)cc(Br)c1Br 1995048692 SLVVBFNYMYQBJO-UHFFFAOYSA-N 498.234 5.938 50 10 JKGE FC(F)(F)[C@@H]1CCc2c(Br)ccc(Br)c2[C@H](Br)C1 2029771301 QAHSPQLLBZNBDR-LHLIQPBNSA-N 450.918 6.162 50 10 JKGE CN(C(=O)c1scc(Br)c1Br)C1CCC(Br)CC1 2042100019 BSILUDVBCGFNGM-UHFFFAOYSA-N 460.029 5.051 50 10 JKGE Fc1ccc([C@H](Br)c2cc(I)ccc2F)cc1Br 2050465202 VAAJKQXEYOWBGR-ZDUSSCGKSA-N 487.907 5.816 50 10 JKGE Cl[C@H](c1c(Br)sc(Br)c1Br)[C@H]1C[C@@H]2CC[C@H](C1)O2 2061008230 LOHKSIXKDNFZEA-DOACCVQLSA-N 479.459 6.273 50 10 JKGE Cc1c(Br)sc([C@@H](Br)C23CCCC2CCC3)c1Br 2063812691 JIQHYXRBVYCIGB-VTGPFMDVSA-N 457.069 6.988 50 10 JKGE Fc1cc(Br)ccc1[C@H](Cl)c1ccc(Br)cc1Br 2083330835 SXXBYCMKKLBOCZ-CYBMUJFWSA-N 457.362 6.441 50 10 JKGE Brc1cc(Br)cc([C@H](Br)c2ncn3ccsc23)c1 2083981753 DXNMMRZTFYRAAH-JTQLQIEISA-N 450.981 5.405 50 10 JKGE COc1ccc(Br)cc1[C@@H](Cl)c1c(Br)cccc1Br 2094090751 KNMNCBVWGCDPKM-CQSZACIVSA-N 469.398 6.311 50 10 JKGE Brc1cccc(CN2C[C@@H]3CCC[C@@H](Br)[C@H]3C2)c1Br 2094583931 YCFVGFOHDKGLAG-WCFLWFBJSA-N 452.028 5.207 50 10 JKGE CCn1cc([C@H](Br)c2cc(C3CC3)c(Br)s2)nc1Br 2094670310 ZOEICOSCTSOUGI-NSHDSACASA-N 469.040 5.851 50 10 JKGE Fc1cccc(Br)c1[C@@H](Br)c1cc(C2CC2)c(Br)s1 2094674663 XTTUZUWKLUAJDW-ZDUSSCGKSA-N 469.011 6.774 50 10 JKGE Fc1cc(Cl)c(Br)cc1[C@@H](Cl)Cc1ccccc1I 2097825702 YIPZAVTWLJJPIJ-NSHDSACASA-N 473.938 6.369 50 10 JKGE CN(Cc1cscc1Br)c1c(CBr)ccc(Br)c1Cl 2098117081 MTHKYMABYBAQBQ-UHFFFAOYSA-N 488.470 6.458 50 10 JKGE BrCc1cc(Br)c(O[C@@H]2[C@H]3CCCCC[C@H]32)c(Br)c1 2111902816 LPNCJBYLIYZSCG-YABSGUDNSA-N 453.012 6.064 50 10 JKGE FCCOc1cccc([C@@H](Br)c2cc(Br)c(Br)s2)c1 2132982111 YCINCQPOPNTOML-GFCCVEGCSA-N 472.999 6.106 50 10 JKGE CCCN[C@H](c1c(C)c(Br)cc(C)c1Br)[C@H]1C[C@H]1Br 2136365190 VQVLWPGNYJNQEE-NVBFEUDRSA-N 454.044 5.653 50 10 JKGE Cc1cc(Br)c(C)c([C@@H](Br)[C@H](C)C2CCCC2)c1Br 2136373227 AUMHVLAKFXQBCA-HWPZZCPQSA-N 453.056 7.091 50 10 JKGE Cc1cc(Br)c(C)c([C@H](Br)C23CC(C2)[C@@H](C)O3)c1Br 2136383268 XIDQNUQBALZJFH-AYBBVMILSA-N 453.012 5.832 50 10 JKGE CCn1cc([C@H](Br)c2cc(C)c(Br)cc2OC)nc1Br 2145954000 JOVYWYMRZLOYCX-CYBMUJFWSA-N 466.999 5.229 50 10 JKGE CC[C@](C)(Cn1c(CCl)nc2ccc(F)c(Br)c21)N(C)Cc1ccccc1 2155093395 KWSKATAXPIAABE-OAQYLSRUSA-N 452.799 5.977 50 10 JKGE C[C@@H]1Cc2cc(Br)cc([C@H](Cl)c3cc(Br)c(Cl)s3)c2O1 2172560975 WAQKWCDKEXMCMH-INWYIAFRSA-N 457.014 6.578 50 10 JKGE CC1(C)CCC[C@]12[C@@H](Br)C[C@@H]2Oc1ccc(Br)cc1Br 2173666092 MJSBDECGAAPCBY-OFQRWUPVSA-N 467.039 6.323 50 10 JKGE O=C(NC[C@]1(F)CC[C@@H](CBr)CC1)c1cc(Br)c(Br)s1 2178589162 NUEPCZDDXXKRIQ-KTLJEJPDSA-N 492.046 5.296 50 10 JKGE O=C(c1ccc(C(F)(F)F)cc1Cl)N(Cc1ccccc1)[C@@H](CBr)C1CC1 2179258780 HWHGDEDQYHUVFV-SFHVURJKSA-N 460.721 6.175 50 10 JKGE COc1c(Br)cc(C)cc1[C@@H](Br)c1c(C)nn(C)c1Br 2203816447 ILQABKQWBCSTFK-GFCCVEGCSA-N 466.999 5.055 50 10 JKGE Clc1cc(Br)ccc1C[C@@H](Cl)c1cc(I)sn1 2215864045 URYHBNTVPBQJOO-SECBINFHSA-N 462.965 5.686 50 10 JKGE Cc1sc(Br)c(C)c1[C@@H](Br)c1c(Br)nn(C)c1C 2218802044 AUGOJLCTCXAKNJ-SNVBAGLBSA-N 457.029 5.416 50 10 JKGE COc1ccc(C(=O)N(Cc2ccccc2)[C@@H](CBr)C2CC2)c(Br)c1 2224005923 WPJQXBKGTZFVCZ-IBGZPJMESA-N 467.201 5.274 50 10 JKGE Fc1cc(Br)c(Br)cc1[C@@H](Br)c1cccc(F)c1Cl 2225634982 SBOOSEYHIYLAGR-LBPRGKRZSA-N 475.352 6.628 50 10 JKGE COc1cc(F)c(Br)cc1[C@H](Br)c1cc(Br)c(C)s1 2226082889 VFKPTFIDDJEDIT-ZDUSSCGKSA-N 472.999 6.214 50 10 JKGE Cc1c(Br)csc1[C@H](Br)c1c(Br)cc(F)c(Cl)c1F 2226127032 SOLOFSQJSYQIEF-SECBINFHSA-N 495.408 6.997 50 10 JKGE CCCC[C@@H](C)CC[C@H](Br)c1c(Br)cc(Cl)c(Cl)c1Cl 2232518155 ABPMLKZESCTRAO-ZJUUUORDSA-N 465.484 8.452 50 10 JKGE FC1(F)CCC[C@H]1C[C@@H](Br)c1c(Br)cc(Cl)c(Cl)c1Cl 2232521914 WARWPMDNBIDRQV-NKWVEPMBSA-N 471.394 7.671 50 10 JKGE COc1cc(Br)c([C@@H](Br)c2cccc(C)c2Br)cc1C 2236007050 HNVFGLUYXWMNMW-INIZCTEOSA-N 463.007 6.321 50 10 JKGE COc1cc(C)c(Br)cc1[C@@H](Br)c1sc(C)c(C)c1Br 2237630334 UNDDHIMLYSSACM-CQSZACIVSA-N 483.063 6.691 50 10 JKGE CCc1cc([C@H](Br)c2scc(Br)c2C)sc1Br 2248001946 CQLGMSJDPCAKBT-JTQLQIEISA-N 459.066 6.690 50 10 JKGE Fc1cc(Cl)c([C@@H](Br)c2ccc(Br)s2)cc1Br 2249384905 MDUZBBNLVVGVPD-LLVKDONJSA-N 463.391 6.550 50 10 JKGE COc1c(Br)cc(Cl)c(C)c1[C@H](Br)C1CC(Br)C1 2263447997 HSBYDPZASGBRDR-WZQIAMPNSA-N 461.419 6.029 50 10 JKGE Cc1c(Br)sc([C@H](Br)[C@H]2CC(F)(F)C23CCC3)c1Br 2266147350 ZAYKEIFKYBAQEB-VXNVDRBHSA-N 479.022 6.843 50 10 JKGE Fc1cc([C@H](Br)Cc2ncccc2Br)c(F)cc1Br 2267218588 XYXUACURQAAALT-SECBINFHSA-N 455.922 5.564 50 10 JKGE COc1c([C@H](Br)c2ncsc2Br)cc(Br)c(C)c1C 2269169640 UEYXWXGSSJDQAL-JTQLQIEISA-N 470.024 5.778 50 10 JKGE CCc1cc(C)sc1[C@H](Br)Cc1cc(Br)cc(Br)c1 2277891804 LJSQPILVVWQOAR-CQSZACIVSA-N 467.064 6.823 50 10 JKGE CC[C@@H](C(F)(F)F)C(CBr)(CBr)c1ccc(Br)cc1 2278446377 MWIYVQQQMCOUPS-LLVKDONJSA-N 466.961 6.065 50 10 JKGE COc1ccc([C@@H](Br)c2cc(Br)c(Cl)s2)c(Cl)c1OC 2283585835 FJVLYDBBQIZENP-SNVBAGLBSA-N 461.002 6.319 50 10 JKGE COc1cc(C)c(Br)c(C)c1[C@@H](Br)c1cc(Cl)c(Cl)s1 2285065516 OGILEHKWQLIBPC-ZDUSSCGKSA-N 459.030 6.927 50 10 JKGE COc1ccc(Br)c2c1nc(CCCl)n2CCCCOCc1ccccc1 2286088820 VQDGWKZTPKNMKV-UHFFFAOYSA-N 451.792 5.586 50 10 JKGE C=CC[C@@]1(CBr)CCCN(Cc2c(Br)cccc2Br)C1 2287716958 VVEBVHDGIXAMPY-INIZCTEOSA-N 466.055 5.765 50 10 JKGE C=CCOc1c(Br)cc(C=C(C#N)C(=O)Nc2ccc(OC)cc2)cc1Br 2294168319 DGJLUGSQXFXRIE-UHFFFAOYSA-N 492.167 5.331 50 10 JKGE COc1cc(OC)c([C@H](Br)c2sc(C)cc2Br)cc1Br 2295418012 BENUYHVBPSPSFF-ZDUSSCGKSA-N 485.035 6.083 50 10 JKGE FC(F)(F)c1ccc([C@H](Br)c2cc3sc(Br)cc3s2)s1 2295501412 RLQPEKHTXNEQDP-NSHDSACASA-N 462.175 7.290 50 10 JKGE CC(C)(C)c1ccc(Oc2nc3ccccn3c(=O)c2C=C(C#N)c2nc3ccccc3s2)cc1 2296543494 IAQYANGBBZIOQK-UHFFFAOYSA-N 478.577 6.458 50 10 JKGE C[C@@H](C=C(C#N)c1nc(-c2cccs2)c(NC(=O)c2ccc(Cl)cc2)s1)c1ccccc1 2297497978 SODJDTCBBZWDDH-INIZCTEOSA-N 476.026 7.488 50 10 JKGE COc1cc(C=C(C#N)C(=O)Nc2ccc([N+](=O)[O-])cc2C)ccc1OCc1ccc(F)cc1 2297551588 SPHYFAMQVFEQHC-UHFFFAOYSA-N 461.449 5.176 50 10 JKGE BrCc1ccnc(Oc2cc(Br)cc(I)c2)c1 2301071165 KTOJZJJCGAZZHV-UHFFFAOYSA-N 468.914 5.136 50 10 JKGE O=C(N[C@@H](CCBr)COCc1ccccc1)c1ccc(Cl)cc1Br 2303546731 IRQKSYLSNRYMJY-HNNXBMFYSA-N 475.608 5.203 50 10 JKGE Cc1c(Br)sc([C@@H](Br)[C@@H]2C[C@@]2(C)C(F)(F)F)c1Br 2309037800 MMGXZSQQMHKOIN-YCRQMBEESA-N 470.974 6.606 50 10 JKGE COc1cc(C=C(C#N)c2ccc(C)cc2)cc(Br)c1OCc1ccc(Cl)cc1 2313521602 YZYROAYHCHUZEK-UHFFFAOYSA-N 468.778 7.063 50 10 JKGE N#CC(=Cc1cn(Cc2ccccc2F)c2ccc(Br)cc12)C(=O)NCc1cccs1 2313623728 BBXPWINRRHMIMB-UHFFFAOYSA-N 494.389 5.876 50 10 JKGE Cc1ccc(COc2ccc(Br)cc2C=C(C#N)C(=O)N[C@H](C)c2ccccc2)cc1 2313670633 MAOVTPRZZQBXHQ-LJQANCHMSA-N 475.386 6.121 50 10 JKGE Cc1cccc([C@@H](Br)c2ccc(OCc3ccccc3)cc2Br)c1C 2314447650 AJMDSVRVMCLUFK-JOCHJYFZSA-N 460.209 7.129 50 10 JKGE Fc1cccc([C@H](Cl)c2ccc(OCc3ccccc3)cc2Br)c1Br 2314452157 KIIJJTWKDMYDPE-HXUWFJFHSA-N 484.590 7.258 50 10 JKGE Cc1ccc(C[C@H]2SC(=C(C#N)C(=O)Nc3ccccc3)N(c3ccc(C)c(C)c3)C2=O)cc1 2314591848 GCNPJLIWKCLXBE-RUZDIDTESA-N 467.594 5.677 50 10 JKGE CCCCCCN1C(=O)C(=Cc2ccc(-c3ccc(Br)cc3)o2)C(C)=C(C#N)C1=O 2314610383 HGDHQCHOQQFXRE-UHFFFAOYSA-N 467.363 5.882 50 10 JKGE CCOc1ccc(C=C(C#N)C(=O)Nc2scc(-c3ccc4c(c3)CCCC4)c2C(=O)OC)cc1 2314793430 SCGVJABIHYVFRL-UHFFFAOYSA-N 486.593 6.025 50 10 JKGE CCc1ccc(-c2csc(C(C#N)=C(O)CCCN3C(=O)c4cccc([N+](=O)[O-])c4C3=O)n2)cc1 2331245888 FGFBWQNTGYDKOP-UHFFFAOYSA-N 488.525 5.150 50 10 JKGE COc1ccc(-c2csc(C(C#N)=C(O)C(=Cc3ccc(OC)c(OC)c3)c3ccccc3)n2)cc1 2331273270 FNQQZFULDBEZRS-UHFFFAOYSA-N 496.588 6.869 50 10 JKGE CCCOc1ccc(-c2csc(C(C#N)=C(O)COc3ccc(Cl)cc3)n2)cc1OCCC 2331293487 QXZIMICEHCFPSG-UHFFFAOYSA-N 485.005 6.913 50 10 JKGE COc1ccc(C)cc1-c1csc(C(C#N)=C(O)[C@@H]2CC(=O)N([C@@H](C)c3ccccc3)C2)n1 2331323641 NEPBSPWVVLHFBJ-PKOBYXMFSA-N 459.571 5.530 50 10 JKGE COc1ccc(OC)c(-c2csc(C(C#N)=C(O)CCCOc3cc(C)c(Cl)c(C)c3)n2)c1 2331325955 IHDJEHQDQVUWGW-UHFFFAOYSA-N 485.005 6.749 50 10 JKGE N#CC(=C(O)c1ccc2c(c1)C(=O)N(Cc1ccco1)C2=O)c1nc(-c2ccc(Cl)s2)cs1 2331402522 LYHJOHWZPDXXCY-UHFFFAOYSA-N 493.953 5.864 50 10 JKGE CCOc1ccc(C=C(C#N)c2nc(-c3cc(Cl)c(OC)cc3OC)cs2)cc1OCC 2331471838 LIPGKFKAIDQLEG-UHFFFAOYSA-N 470.978 6.342 50 10 JKGE N#CC(=Cc1ccc(OCc2ccccc2Cl)cc1)c1nc(-c2cc(Cl)ccc2Cl)cs1 2331488876 DTKZDSYRTNEHFS-UHFFFAOYSA-N 497.834 8.413 50 10 JKGE Cc1cc(Br)c(C)c([C@@H](Br)[C@@H]2[C@H]3CCCO[C@H]32)c1Br 2332925570 LRGGISSSCNVKIF-OCCNTAHWSA-N 453.012 5.689 50 10 JKGE Fc1c(Br)cc(Cl)c([C@H](Br)C2COCCOC2)c1Br 2337094861 TZRFPEZCEMWETJ-SNVBAGLBSA-N 481.381 5.103 50 10 JKGE Cc1cc(Br)c(F)c(Br)c1[C@H](Br)CC1CCCCC1 2339646036 NMFOBSCAJHEQKW-LLVKDONJSA-N 457.019 7.066 50 10 JKGE ClCc1c(Br)cccc1OCc1cc(I)ccc1Cl 2352350281 JRJUHGPBLHYYCA-UHFFFAOYSA-N 471.947 6.025 50 10 JKGE BrCc1cc(Br)c(OC[C@H]2O[C@H]3CC[C@H]2C3)c(Br)c1 2352562249 NTZVLTXWIHBZNB-OUJBWJOFSA-N 454.984 5.053 50 10 JKGE Cc1cc(Br)c(C)c([C@@H](Br)[C@@H]2[C@@H]3[C@H]2CCC3(F)F)c1Br 2357916710 GAOYAQJFDWHGHP-NVPWMLRNSA-N 472.993 6.556 50 10 JKGE Fc1cc(Br)c(F)c(Br)c1[C@@H](Br)[C@@H]1CC[C@H]2C[C@@H]1CO2 2359721003 GCWMXTFZRHYKNG-ZWADGADFSA-N 474.965 5.741 50 10 JKGE Fc1cc(Cl)c(Br)c(Cl)c1[C@H](Br)[C@@H]1[C@H]2CCC(F)(F)[C@@H]21 2360425109 ZJCZAHOJEKTTBK-NIRPMWPWSA-N 452.923 6.622 50 10 JKGE Fc1cc(Cl)c(Br)c(Cl)c1[C@@H](Cl)c1cccc(Br)c1Cl 2360491958 ITPOAUPSHKVGMA-LBPRGKRZSA-N 481.801 7.639 50 10 JKGE CC(C)(C)C1CCC([C@H](Br)c2cc(Br)ccc2OCc2ccccc2)CC1 2361178339 NIASKJSOHIEJOW-XWEVFREBSA-N 494.311 8.317 50 10 JKGE CC1(C)CC12CC([C@H](Br)c1c(Cl)cc(Br)c(F)c1Br)C2 2362241781 ZZTDLBGJTJPLJI-MLUFTHPKSA-N 489.448 7.266 50 10 JKGE Fc1cc(F)c(OCc2ccc(Cl)c(I)c2)c(CBr)c1 2362426676 AGDVIVUHBGHTJS-UHFFFAOYSA-N 473.482 5.697 50 10 JKGE Cc1cc(Br)c(F)c(Br)c1[C@@H](Br)[C@@H]1COC2(C)CC1C2 2365195495 BTMQAALSZOLYBN-SNDFVMPXSA-N 471.002 5.910 50 10 JKGE CC[C@H](C)c1ccccc1OCC(=O)NNC(=O)COc1ccc([C@H](C)CC)cc1Br 14832190 FJIMDAQKMIBLJE-SJORKVTESA-N 491.426 5.081 50 10 JKGE Cc1ccc(N2C(=O)[C@@H](Cc3ccccc3Cl)S/C2=C(\C#N)C(=O)NCc2ccccc2)cc1 16739760 GNMXMVJQJIXGAG-VECHRTTRSA-N 488.012 5.391 50 10 JKGE N#C/C(=C/c1ccc(OC(=O)COc2ccc(Cl)cc2Cl)cc1)c1cccc(Cl)c1 31901474 ISMBDCQXHFJCIA-YVLHZVERSA-N 458.728 6.695 50 10 JKGE CCOc1ccc(OCC(=O)Oc2ccc(/C=C(/C#N)c3cccc(Cl)c3)cc2OC)cc1 31902389 LDNIXHRZXNFSMU-MOSHPQCFSA-N 463.917 5.796 50 10 JKGE N#C/C(=C/c1cn(Cc2cccc(C(F)(F)F)c2)c2ccccc12)S(=O)(=O)c1ccccc1 33307306 PYQQKDWUMYGQBJ-HMAPJEAMSA-N 466.484 6.047 50 10 JKGE CC1CCN(C(=O)/C(C#N)=C2/S[C@H](Cc3ccc(Cl)cc3)C(=O)N2c2ccccc2)CC1 33605386 RATHZFGWIWJQID-FNBPXTNNSA-N 466.006 5.025 50 10 JKGE CCCCCCOc1ccc(/C=C(/C#N)C(=O)Nc2ncc(Cc3cccc(Cl)c3)s2)cc1 34688522 SSYRAFAHHOTXGB-STZFKDTASA-N 480.033 6.892 50 10 JKGE CCOc1cccc(C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@@H]3c2cccc(Br)c2)c1 38651529 ABNVUUFSQNXBEC-HSZRJFAPSA-N 491.341 5.285 50 10 JKGE CCCCCOc1ccc(C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@@H]3c2ccc(OCC)cc2)cc1 38685830 GBIUVTMNVKCXFG-MUUNZHRXSA-N 498.579 6.092 50 10 JKGE N#C/C(=C/c1ccc([N+](=O)[O-])cc1)C(=O)Nc1nc(-c2ccc(Br)cc2)cs1 96515547 LMYNNBYHBSSHHI-ZROIWOOFSA-N 455.293 5.026 50 10 JKGE COc1ccc([C@@H](C(=O)NC2CCCCC2)N(Cc2ccc(Cl)cc2)C(=O)CCl)cc1 97914318 DYDCSROFIYFSEW-QHCPKHFHSA-N 463.405 5.106 50 10 JKGE CSc1ccc(/C=C2/CN(C(C)C)CC3=C2OC(N)=C(C#N)[C@H]3c2ccc(SC)cc2)cc1 98064686 ZGKQIICFGDVMQM-RFAVJAEMSA-N 475.683 6.000 50 10 JKGE CCCCCCCOc1ccc(C(=O)NNC(=O)c2ccccc2OCc2ccccc2)cc1 100153841 XJDWFYKCVMRABN-UHFFFAOYSA-N 460.574 5.690 50 10 JKGE Brc1ccc(C[C@@H](Br)c2ccccc2I)cc1 110296814 DVOPLLOYUQZRMQ-CYBMUJFWSA-N 465.954 5.732 50 10 JKGE Clc1cc([C@H](Br)c2ccc(I)cc2)sc1Br 127582019 BHRXTHJFDQZHQU-SNVBAGLBSA-N 492.401 6.253 50 10 JKGE Brc1cc([C@H](Br)c2cc3c(s2)CCCC3)sc1Br 128262525 LGUMRQMPCFTNTQ-GFCCVEGCSA-N 471.077 6.698 50 10 JKGE Brc1cc([C@@H](Br)[C@@H]2COc3ccccc3O2)sc1Br 128272991 DROWLGATEBGJOK-JQWIXIFHSA-N 468.992 5.549 50 10 JKGE Cc1cc(Br)c([C@H](Br)c2cc(C)c(C)s2)cc1Br 128761653 GAXWDFJJMRIOQM-AWEZNQCLSA-N 453.037 6.683 50 10 JKGE ClC[C@]1(C(Cl)Cl)[C@H]2CC(Cl)(Cl)[C@@]1(C(Cl)Cl)[C@@H](Cl)C2(Cl)Cl 169575457 DGYUTICLLXPLLK-FFDWCPQUSA-N 482.704 6.794 50 10 JKGE N#C/C(=C\c1ccc(OC(=O)/C=C\c2ccco2)cc1)c1nc(-c2cc3ccccc3oc2=O)cs1 210603808 YHRDAYPVRKGCIY-BUGXHRFLSA-N 492.512 6.192 50 10 JKGE CCCN1C(=O)C(C#N)=C(C)/C(=C/c2cn(-c3ccccc3)nc2-c2ccc(OCC(C)C)cc2)C1=O 214216963 AAKZUTHLGOXIGT-QQXSKIMKSA-N 494.595 5.576 50 10 JKGE CCCCN1C(=O)C(C#N)=C(C)/C(=C/c2cn(-c3ccccc3)nc2-c2ccc(OCCC)cc2)C1=O 214225529 OBSGGWTVGZEWQR-ITYLOYPMSA-N 494.595 5.720 50 10 JKGE CCOc1ccc(N/C=C(/C#N)C(=O)Nc2ccc(Cl)c(C(F)(F)F)c2)cc1OCC 217249697 LVFHXNQCTCHFCE-SEYXRHQNSA-N 453.848 5.614 50 10 JKGE O=C1CCc2cc([C@H](Br)c3cc(Br)sc3Br)ccc2N1 232484461 KPHUXZFMEPOHQO-ZDUSSCGKSA-N 480.019 5.642 50 10 JKGE Cc1cccc([C@H](Cl)c2cc(F)c(Br)cc2F)c1I 235904810 BEFQJXDQNXEDJH-ZDUSSCGKSA-N 457.483 5.969 50 10 JKGE Cc1sc([C@H](Br)c2cc(Cl)cc(Br)c2)cc1Br 235974180 CFTYUPCWVBNEFM-GFCCVEGCSA-N 459.428 6.719 50 10 JKGE CC(=NNC(=O)c1ccc2c(c1)OCO2)c1ccc(NC(=O)c2ccc(Cl)cc2Cl)cc1 254761981 ANAHUDHQPDHRIZ-UHFFFAOYSA-N 470.312 5.128 50 10 JKGE Cc1cc(Br)c([C@H](Br)c2cc(C)c(Br)s2)cc1Cl 310765367 LIBHEZOUEHYETB-LBPRGKRZSA-N 473.455 7.028 50 10 JKGE O=C(OCc1ccccc1)N1C[C@@H](CBr)[C@H](c2cc(Br)cs2)C1 382724444 PFZKPKVSDQSMMJ-UKRRQHHQSA-N 459.203 5.258 50 10 JKGE Cc1cc([C@H](Br)c2cccc(OCc3ccccc3)c2)sc1Br 390817047 NHUCYZYIDKUYPX-GOSISDBHSA-N 452.211 6.882 50 10 JKGE Cc1cc(F)c([C@H](Br)c2ccc(I)c(Cl)c2)cc1Cl 395584066 WENVPEMUCPTUJO-CQSZACIVSA-N 473.938 6.530 50 10 JKGE COc1c(C)cc(Br)c(C)c1[C@@H](Br)c1nscc1Br 404772235 JVPVOPMONZGKAV-LLVKDONJSA-N 470.024 5.778 50 10 JKGE CC(C)(C)OC(=O)N1C[C@H](c2ccc(CCO[Si](C)(C)C(C)(C)C)cc2)Cc2ccccc21 616668589 CRRLGROASBRKDP-XMMPIXPASA-N 467.726 7.332 50 10 JKGE CC(C)(COc1c(Br)cc(CBr)cc1Br)CC(F)F 694014950 MSRSDSPOTFHGNJ-UHFFFAOYSA-N 464.970 6.167 50 10 JKGE CCn1cc([C@@H](Br)c2cc(Cl)c(Br)s2)nc1Br 698498927 WLDSZVOSKNJYDQ-MRVPVSSYSA-N 463.420 5.627 50 10 JKGE CO[C@](C)(COCc1ccccc1)Cn1c([C@@H](C)Cl)nc2cc(Br)ccc21 702783998 LTTRQJAQALZZBL-VFNWGFHPSA-N 451.792 5.721 50 10 JKGE O=C(NN=C(Cc1ccccc1)c1ccc(Cl)cc1)Nc1ccc(Oc2ccccc2)cc1 1088688793 IOQNGSGWDWWKDM-UHFFFAOYSA-N 455.945 6.901 50 10 JKGE CCc1ccc(NC(=O)c2oc3c(c2C)C(=NNC(=O)Cc2coc4cc(C)cc(C)c24)CCC3)cc1 1772752138 VPJQKBPUUUPQMM-UHFFFAOYSA-N 497.595 6.165 50 10 JKGE COc1ccc(-c2nn(-c3ccc(Cl)c(Cl)c3)c3c2[C@H](c2ccccc2)C(C#N)=C(N)O3)cc1 1865680232 DAJXTSPRUYUVMK-JOCHJYFZSA-N 489.362 6.073 50 10 JKGE COc1ccc(-c2nn(Cc3ccc(C)cc3)c3c2[C@H](c2ccc(N(C)C)cc2)C(C#N)=C(N)O3)cc1 1865682950 BNMIAIRPXJPKDL-AREMUKBSSA-N 491.595 5.200 50 10 JKGE N#CC1=C(N)Oc2c(c(-c3ccccc3)nn2Cc2cccc(Cl)c2)[C@@H]1c1cc(Cl)ccc1O 1865689140 LCYREADXKQDGFW-JOCHJYFZSA-N 489.362 5.829 50 10 JKGE Cn1cc([C@H]2C(C#N)=C(N)Oc3c2c(-c2ccccc2)nn3Cc2cccc(F)c2)c2ccccc21 1865699586 XPVNPSABNJSNBJ-RUZDIDTESA-N 475.527 5.447 50 10 JKGE COc1ccc(-c2nn(-c3ccc(Cl)cc3)c3c2[C@@H](c2c[nH]c4ccccc24)C(C#N)=C(N)O3)cc1 1865700595 YISYPROEIHHCJF-XMMPIXPASA-N 493.954 5.901 50 10 JKGE CCc1nn(Cc2ccc(Cl)c(Cl)c2)c2c1[C@@H](c1cccc(OC)c1OC)C(C#N)=C(N)O2 1865701422 VJLUKMIQAQIDOV-FQEVSTJZSA-N 485.371 5.036 50 10 JKGE CCc1nn(-c2cccc3ccccc23)c2c1[C@H](c1cc(Br)ccc1F)C(C#N)=C(N)O2 1865702466 VUROEOHFCFPXPL-JOCHJYFZSA-N 489.348 5.708 50 10 JKGE CCc1nn(-c2ccccc2Cl)c2c1[C@H](c1ccc(OCc3ccccc3C)cc1)C(C#N)=C(N)O2 1865703454 VWNIISFTYQSVSC-AREMUKBSSA-N 496.998 6.194 50 10 JKGE CCN(Cc1ccccc1)c1ccc([C@@H]2C(C#N)=C(N)Oc3c2c(C)nn3Cc2ccc(C)cc2)cc1 1865707040 MJOHHNOKAPNPHO-GDLZYMKVSA-N 489.623 5.793 50 10 JKGE CC(C)[C@@H](C(=O)N[C@H](Cc1ccc(O)cc1)C(=O)Nc1ccc(SC#N)cc1)c1ccc(F)cc1 1866966768 CRXNAHVTEFYSKD-JWQCQUIFSA-N 491.588 5.210 50 10 JKGE COc1ccc2c(c1)C[C@H](C)CN2c1cc(Nc2ccc(SC#N)cc2)nc(Cc2ccccc2)n1 1868207918 SNGJKGZIVAFBRM-FQEVSTJZSA-N 493.636 6.723 50 10 JKGE C[C@H](c1cccs1)N1CCN(c2cc(Nc3ccc(SC#N)cc3)nc(C(C)(C)C)n2)CC1 1868342023 HYZVKFAWQRXSFS-GOSISDBHSA-N 478.691 6.036 50 10 JKGE COc1ccc2c(c1)CCN(c1cc(Nc3ccc(SC#N)cc3)nc(-c3ccc(F)cc3)n1)[C@@H]2C 1868456233 LCNDEXKYZBZARQ-GOSISDBHSA-N 497.599 6.732 50 10 JKGE CCc1cccc(C)c1N1C[C@@H](/C(O)=C(\C#N)c2nc(-c3ccc(OC)c(OC)c3)cs2)CC1=O 1872745586 UPSQCRPMTAIPEO-MHAPCUCXSA-N 489.597 5.544 50 10 JKGE COc1cc(C(=O)NC/C(O)=C(\C#N)c2nc(-c3ccc(C(C)C)cc3)cs2)cc(OC)c1OC 1872751921 HLGYEEORBQMIGO-VZCXRCSSSA-N 493.585 5.182 50 10 JKGE N#C/C(=C(/O)Cc1ccc(OCc2ccccc2)cc1)c1nc(-c2c[nH]c3ccccc23)cs1 1872753131 ILLRRDNRIZFRSE-VYIQYICTSA-N 463.562 6.906 50 10 JKGE N#C/C(=C(/O)c1ccc(Cl)cc1[N+](=O)[O-])c1nc(-c2ccc(Oc3ccccc3)cc2)cs1 1872753530 BLHGVIBTCQTLMC-ATJXCDBQSA-N 475.913 7.114 50 10 JKGE CCCCc1ccc(-c2csc(/C(C#N)=C/c3cc(Br)c(OCC)c(OC)c3)n2)cc1 1872781224 ZDUIEQKUWHKYNI-UDWIEESQSA-N 497.458 7.387 50 10 JKGE CCCOc1ccc(-c2csc(/C(C#N)=C/c3ccc(OCC)c(OCC)c3)n2)cc1OCCC 1872790282 XHISYWCTCGBSHK-PXLXIMEGSA-N 492.641 7.249 50 10 JKGE CCCCCOc1ccc(/C=C(\C#N)c2nc(-c3ccc4c(c3)OCO4)cs2)cc1OCC 1872792096 DUIIAROHJAUALE-UDWIEESQSA-N 462.571 6.571 50 10 JKGE Clc1cc(I)c([C@H](Br)[C@@H]2C[C@@H]2Br)s1 1888109157 YXVNCYUPLSYIPG-XZFOZZDRSA-N 456.368 5.226 50 10 JKGE Cl[C@@H](c1coc(Br)c1)c1cc(Br)ccc1OCc1ccccc1 1899891205 FFANMPDEYWYJMV-SFHVURJKSA-N 456.561 6.712 50 10 JKGE CC1(C)C[C@@H]([C@H](Cl)c2c(Br)sc(Br)c2Cl)C(C)(C)O1 1923068609 UMBQDNQHXZGOCD-XPUUQOCRSA-N 451.051 6.800 50 10 JKGE Cc1csc([C@@H](Cl)c2cc(Br)c(Br)s2)c1Br 1939884406 ZWDLGIFDHLTBPM-QMMMGPOBSA-N 465.457 6.734 50 10 JKGE Cc1cc([C@H](Cl)c2cc(Br)c(Br)s2)c(Br)s1 1939962405 LJMGTJZZNQJXMD-QMMMGPOBSA-N 465.457 6.734 50 10 JKGE CC(C)[C@@H](C)N(Cc1ccccc1)S(=O)(=O)c1cc(CBr)oc1Br 2009622163 NWLIXQVZAGOIHA-CYBMUJFWSA-N 479.234 5.172 50 10 JKGE Cc1cc(Cl)c([C@H](Br)c2cc(I)sn2)cc1Cl 2023200856 PVCNGSMWVXJMJZ-NSHDSACASA-N 462.965 5.847 50 10 JKGE CC(C)C(CBr)(CBr)Cc1ccc(I)c(Cl)c1 2026571401 ZRIBYJMFNXGTHN-UHFFFAOYSA-N 494.436 5.919 50 10 JKGE COc1sc([C@H](Cl)c2cc(Br)ccc2Br)cc1Br 2034629250 LTFBIPZNFXGYMW-LLVKDONJSA-N 475.427 6.372 50 10 JKGE Cl[C@H](c1c(Br)sc(Br)c1Br)C1CC(CC2CC2)C1 2050215082 HDHVCJKGUUNLMN-AYVLWNQUSA-N 477.487 7.142 50 10 JKGE COCc1cccc([C@H](Br)c2cc(Br)sc2Br)c1 2071272160 XBINLFQTPFOWQP-LBPRGKRZSA-N 455.009 5.904 50 10 JKGE FC(F)(F)c1c(Br)c(CBr)nn1Cc1ccc(OCC2CC2)cc1 2079232587 ZTGJBRAFVRIPIF-UHFFFAOYSA-N 468.111 5.396 50 10 JKGE Cc1nn(C)c(Br)c1[C@H](Br)c1c(Br)sc(C)c1C 2082883054 CWPBOLQIBOZEFB-SNVBAGLBSA-N 457.029 5.416 50 10 JKGE CCc1sc(Br)cc1[C@@H](Br)c1cc(Cl)c(C)cc1Br 2090681505 NZRNGIFNZAEMBY-AWEZNQCLSA-N 487.482 7.282 50 10 JKGE BrC[C@@]1(Cc2ccc(Br)cc2Br)CCC=CCCC1 2092262246 XYWNJCYWVQSLPM-INIZCTEOSA-N 451.040 6.656 50 10 JKGE Fc1cc([C@H](Cl)c2c(Br)cccc2Br)c(F)cc1Br 2094090114 DIPPYCMKSGQRKK-ZDUSSCGKSA-N 475.352 6.581 50 10 JKGE Cc1sc(Br)c([C@H](Br)[C@@H](C)c2ccncc2Br)c1C 2100998790 IEFGXMYHFHBZFE-ISVAXAHUSA-N 468.052 6.525 50 10 JKGE Clc1c(Br)cccc1C[C@@H](CBr)c1ccccc1Br 2110525720 GXSCPFKEMTVEKR-NSHDSACASA-N 467.426 6.586 50 10 JKGE CO[C@H]1C[C@@H]([C@@H](Br)c2c(Br)sc(Br)c2Cl)C[C@H]1OC 2118287593 YWCBJHDJPQFQCO-JVZYCSMKSA-N 497.474 5.803 50 10 JKGE COc1ccc([C@@H](Br)c2ccc(I)c(C)c2)cc1Cl 2142140642 LPZXWTKZLJDJRF-HNNXBMFYSA-N 451.529 5.746 50 10 JKGE CCCc1ccc([C@@H](Br)c2ccc(Br)cc2I)cc1 2142286565 FDYLYSBQBXIMFC-MRXNPFEDSA-N 494.008 6.491 50 10 JKGE COc1ccc([C@@H](Cl)c2ccc(Br)cc2I)c(F)c1 2142287760 ONTYTMPUIUVGTE-CQSZACIVSA-N 455.492 5.530 50 10 JKGE Cn1cc(Br)c(CC(CBr)(CBr)c2ccccc2Cl)n1 2143635217 RPGVBKUDVNWWJR-UHFFFAOYSA-N 485.445 5.106 50 10 JKGE COc1cc(Cl)c([C@H](Cl)c2cccc(Br)c2Br)cc1Cl 2148750027 JZNBXMPBCCMKBW-CQSZACIVSA-N 459.392 6.855 50 10 JKGE Cc1cc([C@@H](Br)c2cc(Br)c3c(c2)C[C@@H](C)O3)c(Br)s1 2157246183 YUSDLPTWLNFBDX-UHLUBPPHSA-N 481.047 6.389 50 10 JKGE FC(F)(F)[C@@H]1OC2([C@@H](Br)c3cc(Br)ccc3Br)CC1C2 2193094456 QXOYVESEQUBZQJ-XFPSLROISA-N 478.928 5.758 50 10 JKGE COc1ccc([C@@H](Br)c2cccc(Br)c2Cl)c(Cl)c1Cl 2203433928 UHVXZZRRDHUDTQ-NSHDSACASA-N 459.392 6.902 50 10 JKGE CC(C)(C)OC(=O)N[C@@H](CBr)Cc1cc(C(F)(F)F)ccc1Br 2211516441 IVXFERAJXYPNFZ-LLVKDONJSA-N 461.116 5.299 50 10 JKGE Cc1c(Br)sc([C@@H](Br)[C@@H]2CCCC(C)(C)O2)c1Br 2219700308 JSYYYLYXWMVXEO-WPRPVWTQSA-N 461.057 6.365 50 10 JKGE Fc1cc(Br)c(Br)cc1[C@@H](Br)C(F)(F)[C@@H]1CCOC1 2225617178 MGZGMVUAGPKUAL-KSBSHMNSSA-N 466.917 5.459 50 10 JKGE Cc1sc([C@H](Br)c2cc3c(cc2Br)OCC3)cc1Br 2226085098 WEXPIIBAEWXXHH-CQSZACIVSA-N 467.020 6.001 50 10 JKGE Cc1sc([C@@H](Br)c2cc(F)c(Br)cc2F)c(C)c1Br 2226085477 BFZOMJHMLAWFGQ-LBPRGKRZSA-N 474.990 6.652 50 10 JKGE COc1c(Br)cc(C)cc1[C@@H](Br)c1cc(Br)c(C)s1 2226087447 CXTNKBFPZQQXQG-CYBMUJFWSA-N 469.036 6.383 50 10 JKGE Cc1cc(Br)c([C@H](Br)C23CC(C)(CO2)C3)c(C)c1Br 2227359148 FQDUNMDUCVMHTK-NFOMZHRRSA-N 453.012 5.834 50 10 JKGE Cc1oc(Br)cc1[C@@H](Br)c1ccc2c(c1Br)CCO2 2229746989 KPIFPWSCKRQNNJ-AWEZNQCLSA-N 450.952 5.532 50 10 JKGE COc1cc(F)c(Br)cc1[C@H](Cl)c1ccc(C)c(I)c1 2232834054 QVLTZQIBYFIBDQ-OAHLLOKOSA-N 469.519 5.838 50 10 JKGE Cc1cc(Br)c([C@H](Br)[C@]2(C)C[C@H]2C(F)(F)F)c(C)c1Br 2235604798 HPXVOFMJUXAOBZ-JIMOISOXSA-N 478.972 6.853 50 10 JKGE FC(F)(F)Oc1ccc(Cl)cc1[C@H](Br)c1sccc1I 2239619242 DURWZKGWXINSNL-JTQLQIEISA-N 497.501 6.389 50 10 JKGE CC1(C)C(C)(C)C1(C)[C@H](Br)Cc1cc(Br)cc(Br)c1 2277948247 LIMRBBIVDBGGDR-CYBMUJFWSA-N 453.056 6.590 50 10 JKGE COC1([C@H](Br)c2c(Br)cc(Cl)c(Cl)c2Cl)CC(CF)C1 2281170922 UUEWFDMUVPEEDA-SKPUXYCPSA-N 469.403 6.610 50 10 JKGE Fc1cc(Br)c([C@H](Cl)c2cccc(Cl)c2Br)c(F)c1Cl 2283199124 BDCUMXKKTPMHAK-LLVKDONJSA-N 465.346 7.125 50 10 JKGE COc1ccc([C@H](Cl)c2cccc(Br)c2Cl)c(Br)c1Cl 2283555950 VLCZFBSVYNMVOJ-LBPRGKRZSA-N 459.392 6.855 50 10 JKGE Clc1ccc([C@H](Br)c2ccc3c(c2)CCCO3)cc1I 2283587589 WFYXZPURNQLEFI-MRXNPFEDSA-N 463.540 5.754 50 10 JKGE CC(C)[C@@H]1CCC[C@H]1[C@H](Br)c1c(F)cc(Br)c(F)c1Br 2288483648 MVVRRUPXSVEDOG-RWEMILLDSA-N 475.009 6.998 50 10 JKGE CCOC(=O)c1c(NC=C(C#N)c2nc(-c3ccc([N+](=O)[O-])cc3)cs2)sc(C(=O)OC)c1C 2296139105 SGYBRZLGGDAEGL-UHFFFAOYSA-N 498.542 5.028 50 10 JKGE Cc1ccc(Cc2cnc(NC(=O)C(C#N)=Cc3ccc(-c4ccc(Cl)cc4)o3)s2)cc1Cl 2296819091 SSYJLHUFSQNQFP-UHFFFAOYSA-N 494.403 7.155 50 10 JKGE C[C@@H](C1CCCC1)[C@H](Br)c1ccc(OCc2ccccc2)cc1Br 2299507161 DTVAXZYQENNADB-BTYIYWSLSA-N 452.230 7.290 50 10 JKGE BrC[C@]1(Cc2ccc(I)c(Br)c2)C=CCCC1 2306228688 TVONUKGJZJLBTD-CQSZACIVSA-N 469.986 5.718 50 10 JKGE COc1cc(C=C(C#N)C(=O)Nc2cccc(C)c2)ccc1OCc1ccc(Br)cc1 2313511144 QGARCTWXIDMROC-UHFFFAOYSA-N 477.358 5.891 50 10 JKGE Cc1cc(C=C(C#N)C(=O)N2CCN(c3ccccc3)CC2)c(C)n1-c1ccc(C(C)C)cc1 2313545941 QFZKGPUFBCKUFS-UHFFFAOYSA-N 452.602 5.473 50 10 JKGE Cc1ccc2nc(Sc3ccc(C=C(C#N)C(=O)Nc4cccc(Cl)c4Cl)o3)[nH]c2c1 2313570591 ANYRWNWUMGSUHG-UHFFFAOYSA-N 469.353 6.468 50 10 JKGE Cc1cc(F)cc([C@@H](Br)c2ccc(OCc3ccccc3)cc2Br)c1 2314450227 XLCSFXMWINQXRN-OAQYLSRUSA-N 464.172 6.960 50 10 JKGE CCCOc1ccccc1C=C(C#N)C(=O)Nc1sc2c(c1C(=O)OCC)CC[C@@H](C(C)(C)C)C2 2314774209 XTLXLJQECFHJGR-HXUWFJFHSA-N 494.657 6.410 50 10 JKGE COc1c(Br)cc(Cl)cc1[C@H](Br)c1cnsc1Br 2315622353 XFNDQHPYWNWCOF-VIFPVBQESA-N 476.415 5.814 50 10 JKGE COc1cc(C)c([C@H](Br)c2cnsc2Br)cc1Br 2315639703 BZLDTGVSRVCBOZ-NSHDSACASA-N 455.997 5.469 50 10 JKGE COc1c(Br)cc(C)c([C@@H](Cl)C2CC(Br)C2)c1Br 2317427094 RUSPGJZJDNYANA-TYAJBCFHSA-N 461.419 5.982 50 10 JKGE COc1ccc(C(=O)NN=Cc2ccc(OCc3ccc(Cl)cc3Cl)c(OC)c2)cc1 2321721242 BCOLHUPTJFDGBG-UHFFFAOYSA-N 459.329 5.354 50 10 JKGE N#CC(=Cc1ccc(Br)cc1)C(=O)NCC1(c2ccc(Cl)cc2Cl)CC1 2329659675 AHCSPLRMQXJQKN-UHFFFAOYSA-N 450.163 5.511 50 10 JKGE COc1cc(C=C(C#N)c2nc3ccccc3s2)ccc1OCc1ccc(Cl)c(Cl)c1 2331025595 UNCVYWCGTZQZQF-UHFFFAOYSA-N 467.377 7.255 50 10 JKGE CCCCCCCCCOc1ccc(C=C(C#N)S(=O)(=O)c2ccccc2)cc1OCC 2331030495 XPHKOOXQXMZQLJ-UHFFFAOYSA-N 455.620 6.553 50 10 JKGE COc1cc(C(O)=C(C#N)c2nc(-c3ccc4ccccc4c3)cs2)c([N+](=O)[O-])cc1OC 2331239083 NQKQJVVFNBQPKN-UHFFFAOYSA-N 459.483 5.839 50 10 JKGE N#CC(=C(O)COc1ccc(Cl)cc1Cl)c1nc(-c2cccc(Br)c2)cs1 2331278933 SZQBTGAFPQYFHI-UHFFFAOYSA-N 482.186 6.751 50 10 JKGE COc1ccccc1-c1csc(C(C#N)=C(O)[C@@H]2CC(=O)N(c3cc(Cl)ccc3OC)C2)n1 2331281991 QRQFYEJEMNESHZ-CQSZACIVSA-N 481.961 5.326 50 10 JKGE Cc1cc(OCCCC(O)=C(C#N)c2nc(-c3ccc(Cl)cc3)cs2)cc(C)c1Cl 2331299280 PWDOBEXVBPDISR-UHFFFAOYSA-N 459.398 7.386 50 10 JKGE N#CC(=C(O)CCCOc1ccc(Cl)cc1Cl)c1nc(-c2ccc(Cl)cc2)cs1 2331300561 QHDJDQPZCNYXFW-UHFFFAOYSA-N 465.789 7.422 50 10 JKGE CCOc1ccc(CCC(O)=C(C#N)c2nc(-c3cc(C)c(Cl)cc3OC)cs2)cc1OC 2331392162 WTIJMFVRJNJBJM-UHFFFAOYSA-N 485.005 6.613 50 10 JKGE COc1ccc(C)cc1-c1csc(C(C#N)=Cc2ccc(OCc3ccc(Cl)cc3)cc2)n1 2331448910 OFJXMULREWYMKP-UHFFFAOYSA-N 472.997 7.424 50 10 JKGE CC(C)(C)[C@H](C[C@H](Br)c1ccc(OCc2ccccc2)cc1Br)C(F)F 2336079730 VMDLXKLHJCDVCD-MJGOQNOKSA-N 490.226 7.782 50 10 JKGE FCCOc1cccc([C@H](Br)c2sc(Cl)cc2I)c1 2338556034 DVUIDJKEDWPSTE-LBPRGKRZSA-N 475.548 5.839 50 10 JKGE FC(F)(F)C12CC([C@H](Br)c3sc(Cl)cc3I)(CO1)C2 2338564847 WBKGIOYRGKDVLF-XNWIYYODSA-N 487.506 5.554 50 10 JKGE Cc1c(F)ccc(CO[C@]2(CI)CCCN(C(=O)OC(C)(C)C)C2)c1Cl 2339296052 SBZSYXGLKLTBOZ-IBGZPJMESA-N 497.776 5.509 50 10 JKGE Cc1cc(Br)c(F)c(Br)c1[C@@H](Cl)c1cc(Cl)sc1Cl 2339650009 AUOFJEOCYSJAOL-JTQLQIEISA-N 467.412 7.356 50 10 JKGE CC[C@@]1([C@@H](Br)c2c(C)cc(Br)c(F)c2Br)CCCO1 2339653849 NLQNENUIQRFSAR-KBPBESRZSA-N 458.991 6.054 50 10 JKGE Cc1cc(Br)c(F)c(Br)c1[C@H](Cl)c1cc(Cl)c(Cl)s1 2339685240 RHFHZHBPOVKVLT-SNVBAGLBSA-N 467.412 7.356 50 10 JKGE CN(Cc1ccc(Cl)cc1I)C1(CBr)CCSCC1 2341012102 URNCDHKRJFQKMW-UHFFFAOYSA-N 474.633 5.037 50 10 JKGE ClCc1csc(CCOCc2cc(I)ccc2Br)n1 2341552424 OGEJWVMZMWQHJK-UHFFFAOYSA-N 472.573 5.008 50 10 JKGE Clc1cc(OCc2cc(I)ccc2Cl)ccc1CBr 2352425076 BLLBYLQDSVXNNR-UHFFFAOYSA-N 471.947 6.072 50 10 JKGE Fc1ccc(Cl)cc1[C@@H](Br)c1c(F)cc(Cl)c(Br)c1Cl 2360425243 ANYZESYPCCIIHU-LLVKDONJSA-N 465.346 7.172 50 10 JKGE CC(F)(F)c1ccc([C@@H](Br)c2ccc(OCc3ccccc3)cc2Br)cc1 2361171969 NCPWRCZAVYRRBT-OAQYLSRUSA-N 496.189 7.624 50 10 JKGE CC1([C@@H](Cl)c2cc(Br)ccc2OCc2ccccc2)CC2(CC(F)(F)C2)C1 2361177493 XRPFKLDSVNZFCQ-IBGZPJMESA-N 455.770 7.524 50 10 JKGE FCCOc1ccc([C@@H](Br)c2cc(Br)ccc2OCc2ccccc2)cc1 2361199271 XVNZIYMNTNDWOP-JOCHJYFZSA-N 494.198 6.861 50 10 JKGE Cc1cc(I)c(O[C@@H]2C[C@H](Br)[C@@]23CCC[C@@H]3C)cc1Cl 2361703289 MRDCKQIIFDXSMD-LTTZEQNMSA-N 469.588 5.974 50 10 JKGE Fc1c(Br)cc(Cl)c([C@H](Cl)[C@@H]2CC[C@@H]3[C@@H]2C3(F)F)c1Br 2362231881 HYGMSVMBXAMPBX-MEFWOLOLSA-N 452.923 6.575 50 10 JKGE COc1c(C)cc([C@H](Br)c2cc(Br)ccc2Br)cc1Cl 2362868459 FAIADTBYJMMZBD-AWEZNQCLSA-N 483.425 6.666 50 10 JKGE O=C(N[C@@H](CCBr)C1CCCC1)c1ccc(Cl)cc1I 2365588560 LAGVSZLSUKGPHO-AWEZNQCLSA-N 470.576 5.018 50 10 JKGE Fc1cc(F)c(CBr)c(OCc2cc(I)ccc2Cl)c1 2380354390 YOAMGXDRVGNEAK-UHFFFAOYSA-N 473.482 5.697 50 10 JKGE O=C(NNc1ccccc1)C(O)(c1cccc(C(F)(F)F)c1)c1cccc(C(F)(F)F)c1 3048160 BQNYPFMBDXPNBJ-UHFFFAOYSA-N 454.370 5.103 50 10 JKGE O=C(N/N=C/c1ccc(-c2cccc(C(F)(F)F)c2)o1)[C@@H]1CC1(c1ccccc1)c1ccccc1 3080108 WIMKUBQDBFMYAO-GZOLSELCSA-N 474.482 6.422 50 10 JKGE CCc1ccc(NC(=O)/C(C#N)=C2\S[C@H](Cc3ccccc3Cl)C(=O)N2c2ccccc2)cc1 33661790 YJFXUTFKXBNLCY-OGCOBRASSA-N 488.012 5.967 50 10 JKGE CC(/C=N/NC(=O)c1ccn(Cc2cccc(Br)c2)n1)=C\c1ccc(C(C)C)cc1 33958512 LWIVVOLFGDOGNQ-IAPAATGHSA-N 465.395 5.636 50 10 JKGE COc1cccc(-c2nn(-c3ccccc3)cc2/C=C(/C#N)S(=O)(=O)c2ccc(C)cc2)c1 35446358 BZUVDLUPWIAVHX-XYGWBWBKSA-N 455.539 5.195 50 10 JKGE Cc1cccc(OCC(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@@H]3c2ccc(C(C)(C)C)cc2)c1C 38649830 UQKKNVSWZUECEZ-MUUNZHRXSA-N 482.580 5.804 50 10 JKGE CCCCCOc1cccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)COc4ccccc4)ccc32)c1 38684777 MPWLSQXMKZOXEM-NDEPHWFRSA-N 484.552 5.458 50 10 JKGE CCCCOc1ccc(NC(=O)c2oc3c(c2C)/C(=N/NC(=O)c2ccccc2Cl)CCC3)cc1 40812669 QPJWIJXUSNGMKU-JBASAIQMSA-N 493.991 6.143 50 10 JKGE N#C/C(=C/c1cc(Br)ccc1OCc1cccc(F)c1)C(=O)Nc1ccc(F)cc1 59116783 OOJFTDFBZLKJAK-BOPFTXTBSA-N 469.285 5.852 50 10 JKGE CCC[C@H](CBr)COc1c(I)cc(Cl)c2cccnc12 96871043 QAQNYBDFDXLBFA-SNVBAGLBSA-N 468.560 5.683 50 10 JKGE CC1=C(C#N)C(=O)N([C@@H](C)c2ccccc2)C(=O)/C1=C/Nc1ccccc1C(=O)c1ccccc1 101235188 BGOOJUSXDMUKEY-HBTCSRNFSA-N 461.521 5.183 50 10 JKGE CCOc1cc(/C=C(/C#N)C(=O)Nc2nc3ccccc3s2)ccc1OCc1ccc(F)cc1 102443921 BWKGOIMCGRTBPM-UYRXBGFRSA-N 473.529 5.959 50 10 JKGE CCCCCCOc1ccc(/C=C(/C#N)C(=O)Nc2ncc(Cc3ccccc3)s2)cc1OC 102973966 IOJBNYSYBBSERF-JCMHNJIXSA-N 475.614 6.247 50 10 JKGE Cc1cccc(C)c1N/C(SCc1ccc(Cl)cc1)=C(\C#N)S(=O)(=O)c1ccccc1 104688865 DHXBETWEIZWERP-GYHWCHFESA-N 469.031 6.469 50 10 JKGE BrCC(CBr)(CC[C@H]1CCCO1)c1ccc(Br)cc1 118671759 DPOXFUCKSIRZEW-CQSZACIVSA-N 455.028 5.436 50 10 JKGE Fc1cc(Br)cc(F)c1[C@@H](Cl)c1cc(Br)ccc1Br 122323523 QMXOJGZGYOSJPL-ZDUSSCGKSA-N 475.352 6.581 50 10 JKGE Fc1cccc(C(CBr)(CBr)Cc2ccc(Br)cc2Cl)c1 168968436 GCILQCUQONXYES-UHFFFAOYSA-N 499.443 6.512 50 10 JKGE CCCCOc1ccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)/C=C\c4ccc(C)cc4)ccc32)cc1 205642684 XWBXMUOJOQBOTL-LCYGLAAKSA-N 480.564 6.011 50 10 JKGE CCc1ccc([C@@H](Br)c2cc(Br)ccc2I)s1 234195196 VIPFKORUMDBOKI-ZDUSSCGKSA-N 486.010 6.162 50 10 JKGE COc1ccc(Cl)cc1[C@H](Br)c1ccc(F)cc1I 234880100 GNCGSRWRYOOUFV-CQSZACIVSA-N 455.492 5.577 50 10 JKGE COc1ccccc1C[C@@H](Br)c1cc(Cl)ccc1I 234903833 FGXCUHLMADARPR-CYBMUJFWSA-N 451.529 5.632 50 10 JKGE Cc1cc(F)cc(C)c1[C@H](Br)c1cc(Br)sc1Br 235786022 JMXKZVUXIZSBJE-GFCCVEGCSA-N 457.000 6.513 50 10 JKGE Clc1sc([C@H](Br)c2csc(Br)c2)cc1Br 236044342 JCQAEHGNMYVZSW-MRVPVSSYSA-N 451.430 6.472 50 10 JKGE Fc1cc([C@@H](Br)c2ccc(Cl)c(Br)c2)c(F)cc1Br 236222222 JAOQTKLYXMXKGR-ZDUSSCGKSA-N 475.352 6.628 50 10 JKGE CCCCCCCOc1ccc(C=NNC(=O)c2cccc(NC(=O)Cc3ccccc3)c2)cc1 252638765 YGGDDZABOODPSQ-UHFFFAOYSA-N 471.601 5.981 50 10 JKGE CCOc1ccccc1C=NNC(=O)c1cc(-c2ccc(OCc3ccc(C)cc3)cc2)n[nH]1 254302861 FSHKWTZKRDLYIN-UHFFFAOYSA-N 454.530 5.127 50 10 JKGE CCCOc1ccc(C(=O)Oc2ccc(C=NNC(=O)Cc3cccc4ccccc34)cc2)cc1 254615298 FTZSQIBGGUTKNS-UHFFFAOYSA-N 466.537 5.541 50 10 JKGE Cc1ccc(C(=O)NN=Cc2ccc(N3N=C(c4ccccc4)C[C@H]3c3ccccc3)cc2)cc1 254616527 AWASCKKJZOODHO-LJAQVGFWSA-N 458.565 6.115 50 10 JKGE Cc1ccc(OCC(=O)NN=Cc2cc(N=Nc3cccc4ccccc34)ccc2O)c(C)c1 254733245 SSAKVFBGTXIFII-UHFFFAOYSA-N 452.514 6.107 50 10 JKGE C[C@]1(CI)CC[C@@H](c2cc(Br)c(Br)s2)O1 306544529 YMDQUBFUUMCSJC-OIBJUYFYSA-N 465.976 5.318 50 10 JKGE Cl[C@@H](c1cccc(OCc2ccccc2)c1)c1cc(I)cc2c1OCC2 312115502 PKUPYTSOLZKNBJ-NRFANRHFSA-N 476.741 6.133 50 10 JKGE O=C(OCc1ccccc1)N1C[C@H](c2ccc(Br)c(Cl)c2)[C@@H](CBr)C1 382695841 YVXDTLCLCZIYPW-JKSUJKDBSA-N 487.619 5.850 50 10 JKGE Cc1cccc([C@@H]2CN(C(=O)OC(C)(C)C)C[C@H]2CI)c1Br 382721759 NULZWBYFQQTMFR-TZMCWYRMSA-N 480.184 5.143 50 10 JKGE CCOc1ccc([C@@H](Br)c2cscc2Br)cc1Br 404701385 FJFXDZHNHOVCQB-CYBMUJFWSA-N 455.009 6.156 50 10 JKGE CCOc1ccc(Br)cc1[C@@H](Br)c1cscc1Br 404722936 VXOFJAPOZZSALY-CYBMUJFWSA-N 455.009 6.156 50 10 JKGE COc1c(C)cc(Br)c(C)c1[C@H](Br)c1occc1Br 696530667 YCZQVRIJNDEVGC-LBPRGKRZSA-N 452.968 5.914 50 10 JKGE CO[C@@](C)(COCc1ccccc1)Cn1c(CCl)nc2cc(F)c(Br)cc21 702786708 YFUWRPNHJIGTMW-HXUWFJFHSA-N 455.755 5.299 50 10 JKGE O=C(c1scc(Br)c1Br)N1CCCC[C@@H]1CCBr 705408996 KVOPMRYXLNWFGG-MRVPVSSYSA-N 460.029 5.053 50 10 JKGE COc1cc(C=NNC(=O)c2ccccc2-n2cccc2)ccc1OCc1ccc(Cl)cc1Cl 1084002676 QKMCUOWWCWEJHD-UHFFFAOYSA-N 494.378 6.136 50 10 JKGE Cc1cc(Br)cc(Br)c1OCC(=O)NN=Cc1ccc2ccccc2c1 1084075113 PCJHLMHISHJLJU-UHFFFAOYSA-N 476.168 5.202 50 10 JKGE O=C(NN=Cc1c(OCc2cccc(Cl)c2)ccc2ccccc12)c1ccccc1Br 1084167089 UYJNAOQJYOTPEP-UHFFFAOYSA-N 493.788 6.599 50 10 JKGE COc1ccc(C(=O)Oc2cccc(/C=C(/C#N)C(=O)Nc3cc([N+](=O)[O-])ccc3Cl)c2)cc1 1084240417 UNRJJPBAMCEUQW-BOPFTXTBSA-N 477.860 5.022 50 10 JKGE O=C(CSc1nc2ccccc2o1)NN=Cc1cccc(OCc2ccc(Cl)cc2)c1 1084350323 OKAHJZIKIZEZTE-UHFFFAOYSA-N 451.935 5.303 50 10 JKGE Cc1cc(C)cc(OC(=O)c2oc3c(c2C)C(=NNC(=O)Cc2coc4cc(C)cc(C)c24)CCC3)c1 1772751492 DHUQVEXEARABPL-UHFFFAOYSA-N 498.579 6.186 50 10 JKGE N#CSc1ccc(NC(=O)Oc2cccc3c(NC(=O)c4ccc(Cl)s4)cccc23)cc1 1858780065 XAXUMDSYCUDCKT-UHFFFAOYSA-N 479.970 6.991 50 10 JKGE N#CC1=C(N)Oc2c(c(-c3ccccc3)nn2Cc2c(F)cccc2Cl)[C@H]1c1ccccc1Cl 1865686443 VSZIZIKTLPJSPD-QFIPXVFZSA-N 491.353 6.262 50 10 JKGE CCc1nn(Cc2cc(C)ccc2C)c2c1[C@H](c1c(OC)ccc3ccccc13)C(C#N)=C(N)O2 1865688145 KQCROXWKFSFRSP-SANMLTNESA-N 464.569 5.491 50 10 JKGE CCCCCOc1ccc([C@H]2C(C#N)=C(N)Oc3c2c(CC)nn3Cc2cc(C)ccc2C)cc1 1865693713 QGSPFSVNLLBVFM-SANMLTNESA-N 470.617 5.898 50 10 JKGE Cc1nc(-c2ccc(Cl)cc2Cl)ccc1C(=O)NNC(=O)COc1ccc(Cl)cc1Cl 1865759444 ATJKWNBOVLUKDJ-UHFFFAOYSA-N 499.181 5.511 50 10 JKGE C[C@@H](NC(=O)CCc1ccc2nc(O)c(-c3ccccc3)cc2c1)C(=O)Nc1ccc(SC#N)cc1 1866934931 KYMZYUVWCPRFJW-GOSISDBHSA-N 496.592 5.257 50 10 JKGE CC(C)[C@@H](C(=O)NC(C)(C)C(=O)Nc1ccc(SC#N)cc1)c1ccc(Br)cc1 1866977146 LUFIEQIBQFWIKF-LJQANCHMSA-N 474.424 5.295 50 10 JKGE CCCc1nc(Nc2ccc(SC#N)cc2)cc(N2C[C@H](C)O[C@@H](c3ccc(F)cc3)C2)n1 1868388332 ITBGYFAMPSVVDH-HTAPYJJXSA-N 463.582 5.851 50 10 JKGE CC[C@@H](C)[C@H](/C(O)=C(\C#N)c1nc(-c2ccc3c(c2)CCCC3)cs1)N1C(=O)c2ccccc2C1=O 1872745357 JOHJLASJSPPJNH-HFNQMJAOSA-N 497.620 6.192 50 10 JKGE N#C/C(=C(/O)CCCOc1ccc(Br)cc1Cl)c1nc(-c2ccccc2)cs1 1872747511 GWCMDWYXFFUQIS-MNDPQUGUSA-N 475.795 6.878 50 10 JKGE COc1ccccc1OC/C(O)=C(\C#N)c1nc(-c2cc(Cl)c(OC)c(Cl)c2)cs1 1872756279 WGZDUNSBDVNGAT-LGMDPLHJSA-N 463.342 6.006 50 10 JKGE CCCCCOc1ccc(/C=C(\C#N)c2nc(-c3ccc(OC)c(C)c3)cs2)cc1OCC 1872780585 FBOGOQZNVXYDKJ-PXLXIMEGSA-N 462.615 7.159 50 10 JKGE CCCCCCCOc1ccc(-c2csc(/C(C#N)=C/c3c(F)cccc3Cl)n2)cc1 1872791587 MSIQELLREUESIS-XDJHFCHBSA-N 454.998 8.016 50 10 JKGE COc1cc(/C=C(\C#N)c2nc(-c3cc(C)cc(C)c3OC)cs2)ccc1OCc1ccc(C)cc1 1872792821 SJDZRYKCJKBIHO-ZVHZXABRSA-N 496.632 7.396 50 10 JKGE COc1cc(/C=C(\C#N)c2nc(-c3ccc(Cl)s3)cs2)ccc1OCCc1ccccc1 1872794508 GDDOAMZGUOSOPB-CPNJWEJPSA-N 479.026 7.219 50 10 JKGE O=C1c2ccccc2C(=O)N1C[C@@H](Br)CCc1ccc(Cl)cc1Br 1905314490 ODKPRTYZCAVGFD-LBPRGKRZSA-N 471.576 5.095 50 10 JKGE C[C@H](CCBr)N(Cc1ccccc1)C(=O)c1ccccc1I 1915116574 WDJWRSUFRRKHCM-CQSZACIVSA-N 472.164 5.107 50 10 JKGE CC(C)(CCl)N(Cc1ccccc1)C(=O)c1cc(Br)ccc1Br 1915788480 NUFPNFZKKJWVJP-UHFFFAOYSA-N 459.609 5.871 50 10 JKGE C[C@@H](c1ccncc1Br)[C@H](Cl)c1ccc(F)cc1I 1924043895 QBBWBHFGDVINRT-RTHLEPHNSA-N 454.508 5.671 50 10 JKGE FC(F)(C1CC1)[C@@H](Cl)c1c(Br)sc(Br)c1Br 1924568208 CYBBLTOODJTJHF-LURJTMIESA-N 459.375 6.361 50 10 JKGE Brc1sc(Br)c([C@H](Br)C2C[C@H]3C[C@@H]3C2)c1Br 1924576384 NLXGUWONWRMNAU-OKMMGKLZSA-N 493.884 6.518 50 10 JKGE CC(C)C[C@H](C)[C@@H](Br)c1c(Br)sc(Br)c1Br 1924614594 ZKZOOKBWRQRDJE-POYBYMJQSA-N 497.916 7.154 50 10 JKGE COc1ccc(OC)c([C@H](Br)c2c(Cl)sc(Br)c2Cl)c1 1925598383 IWVCPJXZGFWYJH-JTQLQIEISA-N 461.002 6.319 50 10 JKGE CCc1sc(Br)cc1[C@H](Cl)c1scc(Br)c1Br 1943028772 YEHXRIKCUUTENO-JTQLQIEISA-N 479.484 6.988 50 10 JKGE CO[C@@H]1C[C@@]2([C@@H](Cl)c3c(Br)sc(Br)c3Br)C[C@@H]12 1951252092 XPLONYUTCDOOPX-JHMDGNCFSA-N 465.432 5.741 50 10 JKGE COCC1([C@H](Br)c2c(Br)sc(Br)c2Br)CC1 1975746313 MFWVABWKBSFBHM-SSDOTTSWSA-N 497.872 5.898 50 10 JKGE CCc1nc([C@@H](Br)c2sc(C)cc2Br)c(Br)s1 2003571870 ZTAWUPNKSJVHTQ-MRVPVSSYSA-N 460.054 6.085 50 10 JKGE Fc1cc(Br)c(Cl)cc1[C@H](Cl)c1cc(I)sn1 2007644838 NZCGNHODKLXLFJ-JTQLQIEISA-N 466.928 5.631 50 10 JKGE Cc1sc([C@H](Cl)Cc2ccccc2I)c(C)c1Br 2027334569 VLWALKPKKAJNCZ-LLVKDONJSA-N 455.586 6.255 50 10 JKGE COc1ccc(C[C@@H](Br)c2csc(Br)c2Br)cc1 2032953491 KEOCODSKYMMAIN-LLVKDONJSA-N 455.009 5.960 50 10 JKGE Fc1cc(Cl)c(Br)cc1[C@H](Cl)c1scc(Br)c1Br 2036564077 IANJWBGTYOHKMG-JTQLQIEISA-N 497.836 7.156 50 10 JKGE Clc1cccc(Cl)c1C[C@@H](Br)c1ccccc1I 2042853589 KOGSRNSWQXWHKH-LLVKDONJSA-N 455.948 6.277 50 10 JKGE Brc1cc([C@H](Br)[C@H]2CCCCC23CCC3)c(Br)s1 2053370809 KKBOSYSKAVYXQD-PWSUYJOCSA-N 457.069 7.070 50 10 JKGE CCCN[C@H](c1c(Br)sc(Br)c1Br)C1CC(Cl)C1 2076501577 ICJWWNJHNNEITH-QIMWKCOFSA-N 480.491 6.094 50 10 JKGE Brc1cc(Br)c([C@@H](Br)[C@@H]2C[C@H]2c2ccccc2)s1 2079393911 UCCAUYTVJXZUED-CWSCBRNRSA-N 451.021 6.513 50 10 JKGE Fc1cc(Cl)c([C@@H](Cl)c2cc(Br)c(Br)s2)cc1Cl 2083776528 WUPWELULLKDBQS-SNVBAGLBSA-N 453.385 7.047 50 10 JKGE Cc1cc(Br)c([C@H](Br)c2nn(C)c(Cl)c2Cl)cc1Br 2094338711 HXXNUVSAOWXGMB-VIFPVBQESA-N 491.836 6.045 50 10 JKGE COc1cc(Br)c([C@H](Br)c2cscc2OCc2ccccc2)cc1OC 2100094266 WSYGLSRLLWHOAO-FQEVSTJZSA-N 498.236 6.591 50 10 JKGE Cn1cc([C@@H](Br)c2csc3c(Br)cccc23)c(Br)n1 2116555556 UDRXVFMTRNAQRS-LLVKDONJSA-N 465.008 5.644 50 10 JKGE Clc1c(Br)sc(Br)c1[C@H](Cl)c1ccc2sncc2c1 2120655888 GRVZXSYTWCWWRD-SECBINFHSA-N 458.027 6.864 50 10 JKGE Clc1cc(Br)c([C@H](Br)c2ccc3cc(Br)ccc3c2)s1 2154474556 AFHSBYBUZYHKIR-CQSZACIVSA-N 495.461 7.564 50 10 JKGE Fc1cc(Br)c(Cl)cc1[C@@H](Br)Cc1c(Cl)cccc1Cl 2161086144 VDCRPZGFUUKGQD-VIFPVBQESA-N 461.383 7.227 50 10 JKGE BrCc1cc(Br)cc(Br)c1OC[C@H]1C[C@@H]2CC[C@H](C1)O2 2181277802 PUVAFAKJSKAFMK-CGJHYDBRSA-N 469.011 5.443 50 10 JKGE CC1(C)CCCN(C(=O)c2ccc(Br)cc2Br)[C@H]1CBr 2185808816 VDFZFQZMMSOTBM-ZDUSSCGKSA-N 468.027 5.237 50 10 JKGE Cc1c(Br)sc([C@@H](Br)c2cc(I)sn2)c1C 2210562773 YHLYGFLRQDPBRB-QMMMGPOBSA-N 493.027 5.673 50 10 JKGE Cc1c(Br)cccc1[C@H](Br)c1sc(Br)c(C)c1C 2218792467 XHLYKGGIUJYXOA-LBPRGKRZSA-N 453.037 6.683 50 10 JKGE Cc1cc([C@@H](Br)c2scc(Br)c2C)c(C)cc1Br 2218996260 ZTOJUYWHOGAHFB-CYBMUJFWSA-N 453.037 6.683 50 10 JKGE Cc1cc(Br)c([C@@H](Cl)c2csnc2Br)c(C)c1Br 2220148385 KJYWGBUOQZGXAL-NSHDSACASA-N 474.443 6.376 50 10 JKGE CCCN[C@H](c1cc(Br)c(Br)cc1F)C1CC(Br)C1 2225628398 GVVIODCVKWVRDU-CTCYHXBNSA-N 458.007 5.565 50 10 JKGE CCc1sc(Br)cc1[C@@H](Br)c1cc(C)c(Br)c(C)c1 2227421816 OQICYZZZUJDPQY-HNNXBMFYSA-N 467.064 6.937 50 10 JKGE COc1ccc(Br)c(CBr)c1OCc1cc(Br)cs1 2227743373 RYTDSSXHCAEAIG-UHFFFAOYSA-N 471.008 5.756 50 10 JKGE Clc1cc(Br)c([C@@H](Br)c2cc3c(s2)CCC3)c(Cl)c1Cl 2232511747 LMQLVIWGAVSYJM-LBPRGKRZSA-N 475.460 7.444 50 10 JKGE CC[C@]12CO[C@]([C@@H](Br)c3c(Br)cc(C)c(Br)c3C)(C1)C2 2235609312 BMDKJGUJIIOUCT-HRCADAONSA-N 467.039 6.224 50 10 JKGE Cc1cc(Br)c([C@H](Br)C[C@@H]2CC(C)(C)CO2)c(C)c1Br 2235614746 LBOZXGMBDXOQBL-DGCLKSJQSA-N 469.055 6.470 50 10 JKGE COc1cc(Br)c([C@H](Br)c2sc(C)c(Br)c2C)cc1C 2236007491 JIFHBJMGLPNJEY-AWEZNQCLSA-N 483.063 6.691 50 10 JKGE Cc1cccc(Br)c1[C@@H](Br)c1c(F)cc(F)c(Br)c1F 2236112500 ZMMSKGYLLAVOAR-CYBMUJFWSA-N 472.924 6.422 50 10 JKGE Fc1cc([C@H](Br)c2ccc(Br)s2)c(Cl)cc1Br 2247999691 OSRWDXGFQOBJIB-NSHDSACASA-N 463.391 6.550 50 10 JKGE Fc1cc(Br)c(Br)cc1[C@@H](Br)c1cc(Br)co1 2249430623 KWZXORPMJGXBHP-LLVKDONJSA-N 491.774 6.191 50 10 JKGE CC1CC(CC[C@@H](Br)c2c(Br)sc(Br)c2Cl)C1 2251761792 VNMJPDVHZIVCGR-KAVNDROISA-N 465.476 7.189 50 10 JKGE COc1ccc([C@H](Cl)c2nc(C)sc2Br)cc1I 2257364267 GUNPJWLQXNBNGL-JTQLQIEISA-N 458.546 5.155 50 10 JKGE Cc1cc(Br)c([C@@H](Br)c2scc(C)c2Br)c(C)c1F 2264487788 MXIJOOGJUJWFOC-GFCCVEGCSA-N 471.027 6.822 50 10 JKGE Brc1cc(Br)cc(C[C@H](Br)[C@H]2C[C@@]23CCCOC3)c1 2277954313 DFFYKTNLSDJVBO-QLFBSQMISA-N 453.012 5.334 50 10 JKGE Cc1cc(Br)c([C@@H](Br)Cc2ccccc2Br)c(C)c1F 2279147306 TWZIKSMWXCJJNL-AWEZNQCLSA-N 464.998 6.646 50 10 JKGE Fc1cc(Br)c(F)c(Br)c1[C@@H](Br)[C@@H]1C[C@@H]2CCC[C@@H]2C1 2288365988 YHAQTSNLRRRFJC-QARKVSRYSA-N 472.993 6.752 50 10 JKGE COc1c(Br)cc(Cl)c(C)c1[C@H](Br)c1cn(C)c(Br)n1 2295363401 VOJPISVEBZNZBS-LLVKDONJSA-N 487.417 5.400 50 10 JKGE CCc1nn(C)c([C@@H](Br)c2cc3sc(Br)cc3s2)c1Cl 2295498409 RDCGZZZGQQUNTO-NSHDSACASA-N 454.640 6.159 50 10 JKGE Cc1ccc(-c2csc(C(C#N)=CNc3ccccc3OC(F)(F)[C@@H](F)Cl)n2)cc1C 2295945934 YGFFXSKHGPSDAJ-OAQYLSRUSA-N 463.912 6.910 50 10 JKGE COc1ccc2cc(C=C(C#N)c3nc(-c4cc5ccccc5oc4=O)cs3)c(Cl)nc2c1 2297315493 ILPXLFJNKPPDOZ-UHFFFAOYSA-N 471.925 6.191 50 10 JKGE CCOC(=O)c1c(NC(=O)COC(=O)C(C#N)=Cc2cc(C)n(CCC(C)C)c2C)sc(C)c1C 2297486944 GAOLLZVHKSCKRG-UHFFFAOYSA-N 499.633 5.095 50 10 JKGE Cc1cc(C=C(C#N)C(=O)Nc2ccc3c(c2)OCCO3)c(C)n1-c1cccc(Cl)c1Cl 2297487656 FYINJQUVWNJLFQ-UHFFFAOYSA-N 468.340 5.718 50 10 JKGE CCOc1cc(C=C(C#N)C(=O)Nc2nc3ccccc3s2)ccc1OCc1cccc(C)c1 2297500363 LWHZSRKWUKSYTN-UHFFFAOYSA-N 469.566 6.128 50 10 JKGE N#CC(=Cc1ccccc1OCc1cccc2ccccc12)C(=O)Nc1ccc([N+](=O)[O-])cc1O 2297713391 FIIAWYMQVDFLAW-UHFFFAOYSA-N 465.465 5.578 50 10 JKGE Brc1ccc(OCc2ccccc2)c([C@H](Br)[C@@H]2[C@@H]3CCCO[C@@H]32)c1 2299490491 ZBSJQMNJTKBSOF-KNTRFNDTSA-N 452.186 5.889 50 10 JKGE CC(C)C1([C@@H](Br)c2ccc(OCc3ccccc3)cc2Br)CCC1 2299494781 OQBOMOCXXAIYGM-FQEVSTJZSA-N 452.230 7.290 50 10 JKGE Brc1ccc(OCc2ccccc2)c([C@@H](Br)C(C2CC2)C2CC2)c1 2299496826 VTWFSYAPAYQXAI-OAQYLSRUSA-N 450.214 6.900 50 10 JKGE CCN(C[C@](C)(CI)O[C@H]1C[C@H]2CC[C@H](C2)C1)C(=O)OC(C)(C)C 2299587813 VPRWWDKUKFSISG-RCJHGTSTSA-N 451.389 5.032 50 10 JKGE C[C@@H]1C[C@@]1(F)[C@@H](Br)c1c(Cl)cc(Br)c(F)c1Br 2300169010 SBDHZWFANPSRHG-REAJZDTOSA-N 453.346 6.188 50 10 JKGE CN[C@H](c1c(Cl)cc(Br)c(F)c1Br)[C@H]1C[C@H]1Br 2300177567 XYKSXNUORZBCAH-XOGFGSHOSA-N 450.371 5.048 50 10 JKGE Cc1c([C@@H](Cl)c2sc(Cl)cc2I)c(Br)nn1C 2300998134 OWHZUQNWOQVCOR-MRVPVSSYSA-N 465.969 5.139 50 10 JKGE FC1(F)CC[C@H](Cc2ccc(I)c(Br)c2)[C@@H]1Br 2306223730 IYMSAPSQKLTKOL-KCJUWKMLSA-N 479.928 5.405 50 10 JKGE COc1cc(C=C(C#N)C(=O)Nc2ccc(C)cc2)cc(Br)c1OCc1ccccc1 2313518432 CFXIDWKOELCCGD-UHFFFAOYSA-N 477.358 5.891 50 10 JKGE COc1cc(C=C(C#N)C(=O)N(C)C)c(Br)cc1OCc1ccc(Cl)cc1Cl 2313567671 KDQIHKFISGDDME-UHFFFAOYSA-N 484.177 5.339 50 10 JKGE N#CC(=Cc1ccccc1OCc1ccc(C(=O)O)cc1)C(=O)Nc1cccc(Cl)c1Cl 2313570894 IRMMRIKOOMCMJY-UHFFFAOYSA-N 467.308 5.816 50 10 JKGE Cn1c(C(C#N)=Cc2c(Oc3ccccc3Cl)nc3ccccn3c2=O)nc2ccccc21 2314437001 YJXXCXVUIKKTIP-UHFFFAOYSA-N 453.889 5.091 50 10 JKGE FC(F)C1CC(C[C@@H](Br)c2cc(Br)ccc2OCc2ccccc2)C1 2314454896 JYHFNVVHBJTPAE-JTTJXQCZSA-N 474.183 7.146 50 10 JKGE C[C@H](C1CCCCC1)[C@H](Br)c1ccc(OCc2ccccc2)cc1Br 2314458202 CCXHMUUMLIWDBI-ZHRRBRCNSA-N 466.257 7.681 50 10 JKGE CCc1ccc(C[C@@H]2SC(=C(C#N)C(=O)Nc3cccc(C)c3)N(c3ccc(C)c(C)c3)C2=O)cc1 2314592334 REFZJNQVNHPTPZ-MHZLTWQESA-N 495.648 6.239 50 10 JKGE COc1cc(C=C(C#N)c2ccc(Cl)cc2)ccc1OC(=O)COc1ccc(Cl)cc1C 2314737583 ZFNKVZFYUGJLKW-UHFFFAOYSA-N 468.336 6.359 50 10 JKGE Brc1cc2c(cc1[C@@H](Br)c1cnsc1Br)CCO2 2315644022 LIQVQHOTMXQBFS-LLVKDONJSA-N 453.981 5.087 50 10 JKGE COc1cc(F)ccc1[C@H](Br)c1sc(Cl)cc1I 2316596376 DQJLHXYRZGDTTM-NSHDSACASA-N 461.521 5.638 50 10 JKGE CC(C)(C1CCCCC1)[C@@H](Br)c1sc(Cl)cc1I 2316659140 PSAHSGNVAFSNRG-ZDUSSCGKSA-N 461.634 7.049 50 10 JKGE Cc1nc(-c2ccc(Cl)c(Cl)c2)ccc1C(=O)NN=Cc1c(Cl)nc2scc(C)n12 2321248711 ZHJZQKXZVLYJLA-UHFFFAOYSA-N 478.792 5.799 50 10 JKGE CCOC(=O)c1c(NC(=O)C(C#N)=Cc2ccc(F)cc2)sc(C(=O)Nc2ccccc2)c1C 2329644210 LSXARMGLNLOXIE-UHFFFAOYSA-N 477.517 5.170 50 10 JKGE COC(=O)c1ccc2c(O)nc(C(C#N)=Cc3c(OCc4ccccc4)ccc4ccccc34)nc2c1 2331046321 CXBFACIUZVPUMZ-UHFFFAOYSA-N 487.515 5.918 50 10 JKGE CCOc1cc(C=C(C#N)c2ccc(C(=O)OC)o2)ccc1OCc1c(Cl)cccc1Cl 2331048475 LODXQCNEHSTLKB-UHFFFAOYSA-N 472.324 6.415 50 10 JKGE CCCOc1ccc(-c2csc(C(C#N)=C(O)[C@@H](C(C)C)N3C(=O)c4ccccc4C3=O)n2)cc1 2331318499 RUHZXZRCRQVQPD-HSZRJFAPSA-N 487.581 5.712 50 10 JKGE CCOc1ccc(OCC)c(-c2csc(C(C#N)=C(O)C=Cc3ccccc3Cl)n2)c1 2331376489 JGPYZXAKAWLPAE-UHFFFAOYSA-N 452.963 6.767 50 10 JKGE COc1cc(Cl)ccc1[C@@H](Br)c1ccc(OCc2ccccc2)cc1Br 2336039494 XHLJGMLEDXVEJG-NRFANRHFSA-N 496.626 7.174 50 10 JKGE CCC1(CC)[C@@H](Br)C[C@@H]1Oc1cc(Cl)c(C)cc1I 2336544097 RBIPPAYZLLPZMK-KBPBESRZSA-N 457.577 5.974 50 10 JKGE Cn1cc(Br)c([C@@H](Cl)c2c(Cl)cc(Br)c(F)c2Br)n1 2337084421 LGECUFAJWCMQQJ-VIFPVBQESA-N 495.799 5.828 50 10 JKGE CC(C)C1([C@@H](Br)c2c(Cl)cc(Br)c(F)c2Br)CCC1 2337087241 WJYONUZWUKDXHK-ZDUSSCGKSA-N 477.437 7.266 50 10 JKGE CC(C)[C@@H](Br)C(C)(C)NC(=O)c1cc(Br)cc(Br)c1 2340404682 BYRSVEBRZYAFOF-GFCCVEGCSA-N 456.016 5.140 50 10 JKGE Cc1scc([C@H](Br)c2ccc3c(c2Br)CCO3)c1Br 2343541117 KBGAZTLWCGFZHG-CQSZACIVSA-N 467.020 6.001 50 10 JKGE C[C@@H]1CCCN(Cc2ccc(I)c(Br)c2)[C@H]1CCCl 2349830626 RBOHROXFEVXERY-ABAIWWIYSA-N 456.593 5.283 50 10 JKGE Brc1ccc(OCc2ccccc2)c([C@H](Br)[C@@H]2CC[C@H]3CCCC[C@H]3C2)c1 2361176765 HCMNIDCYWIZBJL-ZBNTXBBCSA-N 492.295 8.071 50 10 JKGE Cc1cc(I)c(Oc2c(F)cc(CBr)cc2F)cc1Cl 2361700392 AJMPHXDVCDYESO-UHFFFAOYSA-N 473.482 6.218 50 10 JKGE Clc1cc(Cl)cc(CC[C@H](Cl)c2cc(Br)cc(Br)c2)c1 2366898327 VWNATHVMVWMFGS-HNNXBMFYSA-N 457.420 7.431 50 10 JKGE CCCCCCOc1ccc(C(=O)NNC(=O)c2ccccc2OCCOc2ccccc2)cc1 14040616 WXYBNRJDMNPZFE-UHFFFAOYSA-N 476.573 5.178 50 10 JKGE C[C@H](Oc1ccc(Cl)cc1Cl)C(=O)NNC(=O)COc1ccc(C(C)(C)C)cc1C(C)(C)C 14661688 IFYWIDGKENUPJA-HNNXBMFYSA-N 495.447 5.582 50 10 JKGE O=C(CCCl)Nc1ccc2[nH]cc(CCN3CCN(c4cccc(C(F)(F)F)c4)CC3)c2c1 23329069 LSEGLQXQEZZQCF-UHFFFAOYSA-N 478.946 5.119 50 10 JKGE CCCOc1c(Br)cc(Br)cc1/C=C(\C#N)c1nc2cc(C)ccc2[nH]1 33395816 AXHCCGNTKMIRBP-RIYZIHGNSA-N 475.184 6.249 50 10 JKGE CCCOc1c(I)cc(/C=C(\C#N)C(=O)Nc2ccc(F)cc2)cc1OCC 33677187 RMVXHIMJILSSQC-XNTDXEJSSA-N 494.304 5.163 50 10 JKGE CCOc1ccc(-c2nn(-c3ccccc3)cc2/C=C2/C(=O)N(C(C)C)C(=O)C(C#N)=C2C)cc1C 38604362 NHNOXBRLWPBOSM-BUVRLJJBSA-N 480.568 5.247 50 10 JKGE N#CC1=C(N)Oc2cc(OC(=O)c3ccccc3)ccc2[C@@H]1c1cccc(OCc2ccccc2F)c1 38686743 KFNHDVWYBKIHFE-NDEPHWFRSA-N 492.506 5.842 50 10 JKGE Cc1cccc(Oc2nc3c(C)cccn3c(=O)c2/C=C(/C#N)C(=O)Nc2ccc(Cl)cc2)c1 39858623 INBSMANGAAODTM-JXAWBTAJSA-N 470.916 5.303 50 10 JKGE Cc1cccc(C(=O)N/N=C2\CCCc3oc(C(=O)Oc4cccc5cccnc45)c(C)c32)c1 40811403 FMCQQBSHZCQPAM-ZTKZIYFRSA-N 453.498 5.134 50 10 JKGE C=CCc1cc(/C=N\NC(=O)CC[C@@H](O)c2ccccc2)ccc1OCc1ccccc1Cl 58891717 QYSPEYQJOAUANF-MAGAZJOKSA-N 462.977 5.611 50 10 JKGE C=CCc1cc(/C=N\NC(=O)CC[C@@H](O)c2ccc(OCC)cc2)ccc1OCc1ccccc1F 58895082 PUZFBMGEFKPHJM-VGBOAXCZSA-N 490.575 5.496 50 10 JKGE Cl[C@H](c1cccc(I)c1)c1cc(Br)sc1Br 71087939 NZXVVKZUKRHULN-SNVBAGLBSA-N 492.401 6.206 50 10 JKGE Cc1ccc(S(=O)(=O)/C(C#N)=C\c2cc([N+](=O)[O-])ccc2Sc2ccc(Cl)cc2)cc1 83318713 ICZFTTBSAMBDJN-BKUYFWCQSA-N 470.959 6.046 50 10 JKGE N#C/C(=C/c1ccccc1OC(=O)c1cccc2ccccc12)C(=O)Nc1ccc(Cl)cc1[N+](=O)[O-] 97994797 DXXPYZIAJNNHJR-RGEXLXHISA-N 497.894 6.166 50 10 JKGE CCCCCCCOc1ccc(C(=O)NC(=S)NNC(=O)COc2ccccc2[C@@H](C)CC)cc1 100154348 DKYHRLODYVVWKV-FQEVSTJZSA-N 499.677 5.264 50 10 JKGE Cc1ccc(-c2csc(/C(C#N)=C\Nc3ccc4c(C(F)(F)F)cc(=O)oc4c3)n2)cc1 102416777 FJGVAOSDHKAHKU-PTNGSMBKSA-N 453.445 6.220 50 10 JKGE CCOC(=O)c1ccc(N/C=C(/C#N)c2nc(-c3cc4c(ccc5ccccc54)oc3=O)cs2)cc1 102934352 KZEDHIQZKPYEMU-CYVLTUHYSA-N 493.544 6.223 50 10 JKGE Cc1ccc(S(=O)(=O)N[C@H](CCc2ccccc2)P(=O)(c2ccccc2)c2ccccc2)cc1 106875171 IDYLSMYLCOIPDR-NDEPHWFRSA-N 489.577 5.246 50 10 JKGE CCOC(=O)/C(C#N)=C(\Nc1ccc(OC)cc1)S/C(=C\C=C(C#N)C#N)c1ccccc1 108783935 OJVKPZIDIKMXOD-VPMZCMPRSA-N 456.527 5.153 50 10 JKGE COc1cc(Br)c(OC[C@@H](CBr)c2ccccc2)cc1Br 118817057 HYFGYWFVDJKXKM-GFCCVEGCSA-N 479.006 5.778 50 10 JKGE COc1cccc(F)c1[C@@H](Br)c1cc(Br)c(C)cc1Br 128739691 FCSXHNNOABGAKJ-HNNXBMFYSA-N 466.970 6.152 50 10 JKGE Cc1cc(Br)c([C@@H](Br)[C@H]2CCCc3ccccc32)cc1Br 128829042 ITCVGJVAQFSQMC-KSSFIOAISA-N 473.046 7.076 50 10 JKGE COc1cc(C)c(Br)cc1[C@H](Br)c1ccc(C)c(Br)c1 130483444 ORZCDIPDJMLUGR-MRXNPFEDSA-N 463.007 6.321 50 10 JKGE Cc1cc(Cl)cc([C@H](Br)c2cc(Br)ccc2Br)c1 157684930 TYRYOOYAXWOSMS-AWEZNQCLSA-N 453.399 6.658 50 10 JKGE CC(C)=CCC[C@@H](C)[C@H]1CC[C@@]2(C)[C@@H]3CC[C@H]4C(C)(C)[C@@H](O[Si](C)(C)C)CC[C@@]45C[C@]35CC[C@]12C 195753619 XFTNKWBWGDTMQL-VTJZSWEOSA-N 498.912 10.028 50 10 JKGE CCCOc1ccc(-c2nn(-c3ccccc3)cc2/C=C2\C(=O)N(CC(C)C)C(=O)C(C#N)=C2C)cc1 214271489 TVCAPYCQWDGUOY-QQXSKIMKSA-N 494.595 5.576 50 10 JKGE COc1ccc([C@H](Br)c2sccc2Br)c(OC)c1Br 224846325 ASUHNADGIDHJGS-JTQLQIEISA-N 471.008 5.775 50 10 JKGE COc1ccc([C@@H](Br)c2cc(Br)ccc2Cl)c(OC)c1Br 224865393 AKDGEDHHSRYPJT-CYBMUJFWSA-N 499.424 6.367 50 10 JKGE O=C(Nc1ccccc1CBr)c1cc(Br)sc1Br 232481751 GYFQDSYDEOTABQ-UHFFFAOYSA-N 453.981 5.420 50 10 JKGE COc1ccc([C@H](Cl)c2ccc(Br)cc2Br)cc1Br 234995200 MIHVCZJMWCNRGB-AWEZNQCLSA-N 469.398 6.311 50 10 JKGE Fc1cc(Br)cc(Oc2ccc(CBr)cc2Br)c1F 236154538 ZPYKSWQMRZHGNZ-UHFFFAOYSA-N 456.906 6.177 50 10 JKGE Fc1cc(F)c([C@@H](Br)c2cc(Cl)ccc2I)c(F)c1 236225477 SMYSQPKKCNJTJQ-ZDUSSCGKSA-N 461.446 5.846 50 10 JKGE CC(C)(C)CC(C)(C)c1ccc(OCC(=O)NN=Cc2ccc(-c3ccccc3[N+](=O)[O-])o2)cc1 254822083 BRFHIFOWCZOSBP-UHFFFAOYSA-N 477.561 6.098 50 10 JKGE Clc1ccccc1COc1c(Br)cc(Br)cc1CBr 311947275 IXYZLAQCPBPMNM-UHFFFAOYSA-N 469.398 6.339 50 10 JKGE O=C1Cc2cc([C@H](Br)c3ccc(OCc4ccccc4)cc3)c(Br)cc2N1 312468551 WWOOICRRDURHGX-JOCHJYFZSA-N 487.191 6.007 50 10 JKGE FC(F)(F)Oc1cccc([C@@H](Br)c2cc(Br)c(Cl)s2)c1 312801226 IUXBJVFMFVVTMA-SNVBAGLBSA-N 450.501 6.547 50 10 JKGE Brc1cc([C@@H](Br)c2cscc2Br)c(Br)s1 404788181 GGEGDWKUEYXXSP-MRVPVSSYSA-N 495.881 6.581 50 10 JKGE Brc1csnc1[C@@H](Br)c1ccc(Br)c2ccccc12 404829012 WWRLVVGRUHWMOB-ZDUSSCGKSA-N 462.004 6.306 50 10 JKGE COc1ccc(Br)cc1[C@H](Br)c1cccc(F)c1I 721694489 ZFRFBHFZJXMOBZ-CYBMUJFWSA-N 499.943 5.686 50 10 JKGE ClCCc1nc2cc(I)ccc2n1CC[C@H]1CCN(Cc2ccccc2)C1 723938580 LNACPPWFVSQWPM-GOSISDBHSA-N 493.820 5.334 50 10 JKGE C=CCc1cc(/C=C(\C#N)C(=O)N2CCN(c3ccccc3)CC2)cc(OC)c1OCc1ccccc1 1083960897 AMYOFBLJHXZBGV-NHFJDJAPSA-N 493.607 5.258 50 10 JKGE Cc1cc(C)c(OCC(=O)NN=C2C(=O)N(Cc3c(Cl)cccc3Cl)c3ccccc32)c(C)c1 1083965859 HUJSKCUMHVZSGX-UHFFFAOYSA-N 496.394 5.365 50 10 JKGE O=C(CNc1cccc2ccccc12)NN=C(Cc1ccccc1)c1ccc(-c2ccccc2)cc1 1084028585 UICMOUWZEQFXGJ-UHFFFAOYSA-N 469.588 6.682 50 10 JKGE Cc1ccc(-c2ccccc2)n1-c1ccc(C(=O)NN=Cc2cc(C)n(C3CCCCC3)c2C)cc1 1084182450 TZWTWNDRWUQBOG-UHFFFAOYSA-N 478.640 7.140 50 10 JKGE Cc1ccc(NC(=O)COc2ccc(C=NNC(=O)[C@H](C)Sc3ccc(Cl)cc3)cc2)cc1 1084193332 JGOZCABOPIAXFW-SFHVURJKSA-N 482.005 5.297 50 10 JKGE Cc1cc(OC(=O)c2oc3c(c2C)C(=NNC(=O)c2cccc4ccccc24)CCC3)ccc1Cl 1772747836 LGAHBJJPQGIPQJ-UHFFFAOYSA-N 486.955 6.393 50 10 JKGE COc1ccc(NC(=O)c2oc3c(c2C)C(=NNC(=O)Cc2coc4cc(C)cc(C)c24)CCC3)cc1 1772751914 GHONKECFKFBFNE-UHFFFAOYSA-N 499.567 5.611 50 10 JKGE N#CSc1ccc(NC(=O)Oc2cccc3c(NC(=O)OCc4ccccc4)cccc23)cc1 1858778781 UUVDUWJUDRBHRP-UHFFFAOYSA-N 469.522 6.773 50 10 JKGE CC[C@H](Oc1cccnc1NC(=O)Nc1ccc(SC#N)cc1)C(=O)OCc1ccccc1 1858854230 AFYHJWWYDDERSJ-FQEVSTJZSA-N 462.531 5.200 50 10 JKGE N#CC1=C(N)Oc2c(c(C(F)(F)F)nn2Cc2ccccc2F)[C@@H]1c1c(F)cccc1Cl 1865686242 SGXJURZZHZXAJI-HNNXBMFYSA-N 466.797 5.100 50 10 JKGE CCCCCOc1ccc([C@H]2C(C#N)=C(N)Oc3c2c(C)nn3Cc2ccc(Cl)c(Cl)c2)cc1 1865690690 YTXXHJIBUJGKQO-DEOSSOPVSA-N 497.426 6.334 50 10 JKGE CCCCOc1ccc([C@@H]2C(C#N)=C(N)Oc3c2c(CC)nn3Cc2ccccc2Cl)cc1OC 1865697179 ORRYTPYLDVSWJC-XMMPIXPASA-N 493.007 5.553 50 10 JKGE CCCc1nn(Cc2ccc(Cl)c(Cl)c2)c2c1[C@H](c1ccccc1C(=O)O)C(C#N)=C(N)O2 1865704379 UOIJFUJQBONOPI-HXUWFJFHSA-N 483.355 5.107 50 10 JKGE CCCc1nn(-c2ccc(Cl)c(Cl)c2)c2c1[C@@H](c1ccc(C(F)(F)F)cc1)C(C#N)=C(N)O2 1865710526 AUFJMYFUJQHGDU-IBGZPJMESA-N 493.316 6.369 50 10 JKGE CCCc1nn(Cc2ccc(C)cc2)c2c1[C@H](c1cccc(OCc3ccccc3)c1)C(C#N)=C(N)O2 1865712288 UZIWAHHAFIPEGV-MUUNZHRXSA-N 490.607 5.990 50 10 JKGE Cc1ccc(Cn2nc(-c3ccccc3)c3c2OC(N)=C(C#N)[C@H]3c2ccc([N+](=O)[O-])cc2)cc1 1865712664 DZAXURBNGHOBPV-HSZRJFAPSA-N 463.497 5.033 50 10 JKGE COc1cccc(-c2nc(Nc3ccc(SC#N)cc3)cc(N3CCC(n4cnnc4C)CC3)n2)c1 1868505863 LXESACOYHVDCET-UHFFFAOYSA-N 498.616 5.210 50 10 JKGE CCCCCCCCCOc1ccc(/C=C(\C#N)c2nc3ccccc3n2CC)c(Cl)c1 1872730697 KHBOSLBROYCXRY-RELWKKBWSA-N 450.026 7.903 50 10 JKGE CC(C)[C@H](/C(O)=C(\C#N)c1nc(-c2ccccc2Cl)cs1)N1C(=O)c2ccccc2C1=O 1872746666 RXAVWUVBMRPCHD-HTNUNKGTSA-N 463.946 5.577 50 10 JKGE COc1ccc(C(C)(C)C)cc1-c1csc(/C(C#N)=C(\O)Cc2cc(Cl)ccc2Cl)n1 1872752028 ZWRGQHIIAKZTIZ-UZYVYHOESA-N 473.425 7.458 50 10 JKGE CCOc1ccc(OCC)c(-c2csc(/C(C#N)=C(\O)[C@H]3CC(=O)N(Cc4ccccc4)C3)n2)c1 1872754773 IGEATFUKNMONEV-HMWBEYIWSA-N 489.597 5.449 50 10 JKGE COc1ccc(-c2csc(/C(C#N)=C(O)/C=C/c3ccc([N+](=O)[O-])cc3)n2)c2ccccc12 1872758487 CIILNPVCEVYHHI-GVMZUKKWSA-N 455.495 6.386 50 10 JKGE COc1cc(/C=C(\C#N)c2nc(-c3ccc(F)cc3)cs2)ccc1OC(=O)c1ccccc1 1872791718 RFPNJRZHRCJOCN-DEDYPNTBSA-N 456.498 6.241 50 10 JKGE Cc1cc(=O)oc2cc(OCC(=O)N/N=C/c3c(OCc4ccccc4)ccc4ccccc34)ccc12 1873792400 AVSYHAQXVQYGOL-KBVAKVRCSA-N 492.531 5.363 50 10 JKGE C[C@H](Cl)c1nc2c(Br)cc(F)cc2n1C1(CCOCc2ccccc2)CC1 1912667241 WHOCGTPZODRVFG-AWEZNQCLSA-N 451.767 6.334 50 10 JKGE C[C@H](Cl)CN(Cc1ccccc1)C(=O)c1cc(I)ccc1Br 1914640148 WPSLBIQUJWISQT-LBPRGKRZSA-N 492.582 5.323 50 10 JKGE O=S(=O)(c1ccc(Br)cc1F)N(Cc1ccccc1)C1(CBr)CCC1 1915749628 AHSLHCVDPACKPV-UHFFFAOYSA-N 491.220 5.097 50 10 JKGE Cc1ccc(F)c([C@@H](Br)c2sc(Br)cc2Br)c1F 1922946177 OQGOIYVWNVRKFH-SNVBAGLBSA-N 460.963 6.344 50 10 JKGE Clc1ccc(C[C@H](Br)c2c(Br)sc(Br)c2Cl)cc1 1923054459 FYDDOILVAAGWBD-QMMMGPOBSA-N 493.873 7.259 50 10 JKGE Fc1cc([C@H](Br)c2c(Br)sc(Br)c2Cl)ccc1Cl 1923054594 HOAJPQLLDZJHPQ-QMMMGPOBSA-N 497.836 7.203 50 10 JKGE Fc1cccc([C@@H](Cl)c2c(Br)sc(Br)c2Br)c1F 1924591735 UDSLXFLOIUQAKU-MRVPVSSYSA-N 481.381 6.642 50 10 JKGE Fc1ccc(Cl)cc1[C@H](Cl)c1c(Br)sc(Br)c1Br 1924595499 ZUGXQKYVCFRENE-VIFPVBQESA-N 497.836 7.156 50 10 JKGE CC(CBr)(CBr)Cc1c(Br)cccc1Br 1930703538 LMSIHKHKSQTMQF-UHFFFAOYSA-N 463.833 5.550 50 10 JKGE Fc1cc([C@@H](Br)c2sc(Cl)cc2Br)ccc1Br 1948828340 JOPGWLISRZCVGQ-SNVBAGLBSA-N 463.391 6.550 50 10 JKGE CCc1cc(Br)c([C@@H](Cl)Cc2ccccc2I)s1 2029231943 BDKZZHAPMCBZRZ-LBPRGKRZSA-N 455.586 6.200 50 10 JKGE CC1(C)CN(Cc2ccccc2)CCN(c2cc(Br)ccc2CBr)C1 2033064132 MANCDKPHRVJAIZ-UHFFFAOYSA-N 466.261 5.692 50 10 JKGE CN(Cc1nccn1Cc1ccccc1)c1cc(Br)cc(F)c1CBr 2051133362 PCALRNWRPRGXNH-UHFFFAOYSA-N 467.180 5.364 50 10 JKGE O=C(N[C@H](CBr)c1cccs1)c1scc(Br)c1Br 2055479636 PBTVKFWJUGZMGA-SSDOTTSWSA-N 474.037 5.201 50 10 JKGE CN(C[C@H]1C[C@H](Br)C1)C(=O)c1cc(NC(=O)OC(C)(C)C)ccc1Br 2076209926 VMFXANWGEISLMR-HAQNSBGRSA-N 476.209 5.042 50 10 JKGE CC(C)[C@@H]1CC[C@@H](Br)[C@@H](Cc2cccc(Br)c2Br)C1 2092336136 UOCLFAXDCLVNSY-MRVWCRGKSA-N 453.056 6.590 50 10 JKGE CC1(C)C2CCC1([C@@H](Br)c1cc(Br)ccc1Br)CC2 2094494193 WEFIZMLZNJHTSO-BHKPVTDMSA-N 451.040 6.864 50 10 JKGE Cc1sc(Br)cc1[C@@H](Cl)c1cc(I)cc2c1OCC2 2095699650 QONAZAAETSYSRB-CYBMUJFWSA-N 469.569 5.687 50 10 JKGE ClCc1nc2cc(Br)c(Cl)cc2n1C1CC(COCc2ccccc2)C1 2103619378 GBMLAZUSMZJFFX-UHFFFAOYSA-N 454.195 6.359 50 10 JKGE Cc1cc([C@H](Br)c2cc(I)cc3c2OCC3)sc1Cl 2109072661 GKWPBVZKSUDYAP-GFCCVEGCSA-N 469.569 5.734 50 10 JKGE COCCCN(Cc1ccccc1)S(=O)(=O)c1cc(Cl)cc(CBr)c1Cl 2123269323 QPNSCLULHNJEJT-UHFFFAOYSA-N 481.239 5.116 50 10 JKGE COc1cc(Cl)c([C@H](Br)c2cccc(Br)c2)cc1Br 2137640062 MLAARCAVAUAQQC-CQSZACIVSA-N 469.398 6.358 50 10 JKGE Cc1cc(Br)c(F)c([C@H](Br)c2cc(Cl)c(Br)cc2F)c1 2145601945 WNDQDTIPBIPFIE-CYBMUJFWSA-N 489.379 6.936 50 10 JKGE COc1cc(Br)c(C)cc1[C@@H](Br)c1cccc(Br)c1F 2145958666 ANOYPBFGFCJCLO-AWEZNQCLSA-N 466.970 6.152 50 10 JKGE CC12COC(CC(CBr)(CBr)c3ccc(Br)cc3)(C1)C2 2150313759 FATLLCCBVUEZRQ-UHFFFAOYSA-N 467.039 5.436 50 10 JKGE BrCc1cc(Br)c(O[C@@H]2CCC3(CCCC3)C2)c(Br)c1 2155084551 AMCDYUQFCOKKBX-GFCCVEGCSA-N 467.039 6.598 50 10 JKGE C[C@H]1C[C@H](CCC(CBr)(CBr)c2ccccc2Br)CO1 2159284195 BASVPRDJGLDBGU-STQMWFEESA-N 469.055 5.682 50 10 JKGE Cl[C@H](Cc1ccc2c(c1)CCO2)c1cc(Br)ccc1I 2168652578 ILCRRNKTYHCZJW-CQSZACIVSA-N 463.540 5.511 50 10 JKGE O=C(N[C@@H](CBr)[C@@H]1CC=CCC1)c1c(Br)cccc1Br 2196144653 YEGSDDSQFCMFRX-MFKMUULPSA-N 466.011 5.061 50 10 JKGE CCOc1cc(Br)c([C@H](Br)C2CC(Br)C2)cc1OCC 2196892047 YDVLYFCHVQHPQH-HKJQSTPSSA-N 471.027 5.856 50 10 JKGE Cc1cccc([C@H](Cl)c2c(C)c(Br)cc(C)c2Br)c1Br 2201079636 UBBOOOGKVYHFPZ-INIZCTEOSA-N 481.453 7.228 50 10 JKGE COc1cc(Cl)c([C@H](Br)c2cc(Br)ccc2C)cc1Br 2202354283 WRFITXGZLMENKQ-OAHLLOKOSA-N 483.425 6.666 50 10 JKGE CC1(C)C[C@H](O[C@@](C)(CI)c2ccccc2Br)C1(C)C 2204945610 LGSJWQGGTIVPNL-YOEHRIQHSA-N 451.186 5.941 50 10 JKGE O=C1c2ccccc2C(=O)N1C[C@@H](Br)CCc1cc(C(F)(F)F)cc(C(F)(F)F)c1 2205794461 XMGKXNQEFLYJSQ-AWEZNQCLSA-N 494.229 5.717 50 10 JKGE Cc1cc(Br)c([C@@H](Br)c2cc(Br)oc2C)c(C)c1Cl 2224303030 RGBFNUSTCXQKBW-ZDUSSCGKSA-N 471.414 6.868 50 10 JKGE COCC1([C@@H](Br)c2c(Br)cc(C)c(Br)c2C)CCC1 2227347957 LCFGPBUPHHTETP-AWEZNQCLSA-N 455.028 6.081 50 10 JKGE Cc1cc(Br)c([C@H](Cl)c2ccccc2OCc2ccccc2)c(C)c1Br 2227353785 UWISMZMYPIWURP-JOCHJYFZSA-N 494.654 7.736 50 10 JKGE Cc1cc2nc([C@H](C)Cl)n(C[C@@H]3CC3(Br)Br)c2cc1Br 2233040267 OMZMFZSHHMCBFF-IUCAKERBSA-N 485.445 5.913 50 10 JKGE COc1cc(F)cc([C@H](Br)c2ccc(Br)c(C)c2Br)c1 2234411253 FCMVIUJPRAGUEL-HNNXBMFYSA-N 466.970 6.152 50 10 JKGE Cc1c(Br)csc1[C@H](Br)c1cc(Br)c2c(c1)C[C@@H](C)O2 2234516011 YEHBLSDHWAMLHR-FUXBKTLASA-N 481.047 6.389 50 10 JKGE Cc1sc(Br)cc1[C@@H](Br)c1scc(Br)c1Cl 2242671148 OTDHAINQHGHFQQ-MRVPVSSYSA-N 465.457 6.781 50 10 JKGE Cc1sc([C@@H](Br)c2ccc(Br)cc2Cl)c(Br)c1C 2253473276 NTUKZFFATOMMAO-LBPRGKRZSA-N 473.455 7.028 50 10 JKGE CCc1cc([C@H](Br)c2cccc(F)c2Br)sc1Br 2255989567 UZRDABPGFKOQMI-GFCCVEGCSA-N 457.000 6.459 50 10 JKGE Clc1ccc([C@@H](Br)Cc2cc(Br)cc(Br)c2)cc1 2263445325 BXSGLUWYMSHWLN-AWEZNQCLSA-N 453.399 6.544 50 10 JKGE CC(C)(C)OC(=O)N1CCC[C@](CI)(OCC[C@H]2CCCCC23CC3)C1 2264858735 DRVDPZSUISLVCQ-DYESRHJHSA-N 477.427 5.568 50 10 JKGE C[C@@H]1CCO[C@@H]1C[C@H](Br)c1c(F)cc(Br)c(F)c1Br 2272838592 AHLQPOYIMIZTPV-MATHAZKKSA-N 462.954 5.741 50 10 JKGE COc1c([C@H](Cl)c2cccc(I)c2)cc(Br)c(C)c1C 2284521294 LBVXKQKYCGCBOE-OAHLLOKOSA-N 465.556 6.007 50 10 JKGE COc1cc(C=C(C#N)c2ccc([N+](=O)[O-])cc2)cc(Br)c1OCc1ccccc1 2293547210 IQHYEQYBCBEHSP-UHFFFAOYSA-N 465.303 6.009 50 10 JKGE COc1cc(C=C(C#N)c2ccc(C(=O)O)cc2)cc(Br)c1OCc1cccc(F)c1 2297379787 MSNFZUXHLFAPPF-UHFFFAOYSA-N 482.305 5.938 50 10 JKGE Cc1cccc(C)c1OCCOc1ccc(C=C(C#N)C(=O)Nc2nc3ccccc3s2)cc1 2297500230 UMLDKELXPWLTGN-UHFFFAOYSA-N 469.566 5.917 50 10 JKGE N#CC(=Cc1ccc(-c2ccc(Cl)c(Cl)c2)o1)C(=O)Nc1ccc([N+](=O)[O-])cc1Cl 2297551395 HNPGYYPQEYMDOW-UHFFFAOYSA-N 462.676 6.361 50 10 JKGE Brc1cc(OCc2ccccc2)ccc1[C@H](Br)[C@@]12CCC[C@H]1CC2 2299494228 HQNBVGFZFZZTMB-ORYQWCPZSA-N 450.214 7.044 50 10 JKGE C[C@H]1OC2([C@@H](Br)c3cc(Br)ccc3OCc3ccccc3)CC1C2 2299498997 VYZCPWOHYALKIC-JPGBJNGISA-N 452.186 6.032 50 10 JKGE Brc1ccc(I)cc1CO[C@@H]1CCCC[C@@H]1Br 2302814078 MQCYPTUPLWFGBF-QWHCGFSZSA-N 473.974 5.276 50 10 JKGE CCOc1cc(C=C(C#N)C(=O)N(C)C)cc(Br)c1OCc1ccc(Cl)cc1Cl 2313568301 UDBOEHFPZZZLJK-UHFFFAOYSA-N 498.204 5.729 50 10 JKGE FC1(F)CC2(C[C@H]2[C@@H](Br)c2ccc(OCc3ccccc3)cc2Br)C1 2314443215 FTNNBSXQYDLGBH-WMZOPIPTSA-N 472.167 6.900 50 10 JKGE COc1ccc(CN2C(=O)C(=Cc3ccc(-c4ccccc4Cl)o3)C(C)=C(C#N)C2=O)cc1 2314617158 RWTYMGNHTKSQFV-UHFFFAOYSA-N 458.901 5.401 50 10 JKGE CCCNC(=O)C(C#N)=Cc1ccc(OC(=O)COc2ccc(-c3ccc(C)cc3)cc2)c(OC)c1 2314737734 OAMUQXMHFPZHHM-UHFFFAOYSA-N 484.552 5.088 50 10 JKGE CCCCNC(=O)C(C#N)=Cc1ccc(OC(=O)C=Cc2ccccc2OCCCC)c(OC)c1 2314785877 VTBNUJBWGYTEPR-UHFFFAOYSA-N 476.573 5.316 50 10 JKGE Fc1c(Br)cc(Cl)c([C@@H](Br)c2sccc2Cl)c1Br 2315449581 QYFFNGGZXTZOLS-SECBINFHSA-N 497.836 7.203 50 10 JKGE Cc1ccc(C)c(C[C@@H](Br)c2sc(Cl)cc2I)c1 2316768960 DZIVLDOCLKEGCF-LLVKDONJSA-N 455.586 6.302 50 10 JKGE Cc1ccc2nc(-c3ccc(NC=C(C#N)C(=O)Nc4ccc(Cl)cc4Cl)cc3)sc2c1 2324494487 QODAYABFUDSGEK-UHFFFAOYSA-N 479.392 7.037 50 10 JKGE Cc1cc(OCc2ccc(CCl)cc2)cc2c1C(=O)C(=Cc1cccc(Br)c1)O2 2325339619 QXTHGYZGPGDZIK-UHFFFAOYSA-N 469.762 6.692 50 10 JKGE Cc1cc(Br)c([C@H](Br)[C@@H]2[C@@H]3[C@H]2CCC3(F)F)cc1Br 2330159812 DSWRHVJWLYPPTB-VFFVRTRHSA-N 458.966 6.247 50 10 JKGE CCOc1cc(C=C(C#N)c2nc3ccccc3[nH]2)ccc1OCc1ccc(Br)cc1 2331021376 QQZOWJSVZHYXGQ-UHFFFAOYSA-N 474.358 6.367 50 10 JKGE N#CC(=C(O)c1ccccc1I)c1nc(-c2ccc([N+](=O)[O-])cc2)cs1 2331281364 NKIUVTZCWQQDRI-UHFFFAOYSA-N 475.267 5.273 50 10 JKGE C[C@@H](C(O)=C(C#N)c1nc(-c2ccc(C(C)(C)C)cc2)cs1)N1C(=O)c2ccccc2C1=O 2331331527 KEOMOHILMVPHOL-HNNXBMFYSA-N 457.555 5.585 50 10 JKGE COc1c(C)cc(C)cc1-c1csc(C(C#N)=C(O)c2ccc(N(C)C)c([N+](=O)[O-])c2)n1 2331376336 UIEGGBNORXCZOI-UHFFFAOYSA-N 450.520 5.360 50 10 JKGE CCOc1ccc(OCC)c(-c2csc(C(C#N)=C(O)c3ccc(OCC(C)C)cc3)n2)c1 2331376653 CXWYNDCGIIDXKG-UHFFFAOYSA-N 464.587 6.592 50 10 JKGE Cc1ccc(C(C)(C)C)cc1-c1csc(C(C#N)=C(O)CCCOc2ccccc2Cl)n1 2331397210 VOIJATCXOZYYLL-UHFFFAOYSA-N 467.034 7.721 50 10 JKGE COc1cccc(C=C(C#N)c2nc(-c3ccc(C(C)(C)C)cc3)cs2)c1OCc1cccc(C)c1 2331453557 FSELEDDKMMLTQW-UHFFFAOYSA-N 494.660 8.068 50 10 JKGE CCOc1ccc(OCC)c(-c2csc(C(C#N)=Cc3cc(OC)c(OC)cc3OC)n2)c1 2331470755 HWQZHCCRKFRERK-UHFFFAOYSA-N 466.559 5.697 50 10 JKGE Fc1c(Br)cc(Cl)c([C@H](Br)C2C3(CC3)C23CC3)c1Br 2337091194 WUPRZSQVIUIZMZ-JTQLQIEISA-N 473.405 6.630 50 10 JKGE COCC1([C@H](Br)c2c(Cl)cc(Br)c(F)c2Br)CCC1 2337093628 HDRAFEABDCCJLA-GFCCVEGCSA-N 479.409 6.257 50 10 JKGE COc1c(Br)cc(C)c([C@H](Br)c2csc(Cl)c2)c1Br 2339690864 LIDSUOGZLDHDLE-LLVKDONJSA-N 489.454 6.728 50 10 JKGE Clc1ccc(I)cc1CC[C@H](Cl)c1cccc(Br)c1 2352415048 BPLCZXNAVQXIJZ-AWEZNQCLSA-N 469.975 6.620 50 10 JKGE Fc1c(Br)cc(Cl)c([C@H](Br)C[C@@H]2CCC[C@H]3C[C@@H]32)c1Br 2362228165 MMKMFIUGSWUGFG-AATLWQCWSA-N 489.448 7.266 50 10 JKGE CC[C@@H](CC(F)(F)F)[C@H](Cl)c1c(Cl)cc(Br)c(F)c1Br 2362254148 WUASMZUZHSAATC-RRAGMBSWSA-N 460.918 7.263 50 10 JKGE CCCc1sc(Br)cc1[C@@H](Br)c1c(Br)c(CC)nn1C 2363277020 JIVMJYXLSLLGIF-GFCCVEGCSA-N 485.083 6.006 50 10 JKGE CC(C)CO[C@@H]1[C@H](Br)C[C@H]1OCc1c(Br)cccc1Br 2366185341 ULWLTKPHVRCNLA-RBSFLKMASA-N 471.027 5.305 50 10 JKGE CC1(C)[C@H]2CC[C@@H](C2)[C@]1(CBr)Cc1ccc(Cl)cc1I 2366714291 HLNHZBMNZFZAPL-GDZNZVCISA-N 467.616 6.325 50 10 JKGE Fc1cc(OCc2cccc(Br)c2Br)cc(Cl)c1CBr 2379782685 ICTIHQJZLAFLHD-UHFFFAOYSA-N 487.388 6.478 50 10 JKGE Cc1cc(Cl)c([C@@H](Br)c2cc(Br)c(Cl)cc2C)c(Cl)c1 2381302420 FKMBHGGASYPJFQ-HNNXBMFYSA-N 457.420 7.510 50 10 JKGE CC(C)CCOc1ccc(C(=O)NNC(=O)c2sc3ccccc3c2Cl)cc1Br 14645626 GIEADXCENAHVPE-UHFFFAOYSA-N 495.826 5.817 50 10 JKGE COc1ccc(Br)cc1/C=C(/C#N)C(=O)Nc1cc(C(F)(F)F)ccc1Cl 33390760 FKCCNEFTAMBXGM-WDZFZDKYSA-N 459.649 5.676 50 10 JKGE C/C(=N/NC(=O)c1ccc(COc2ccc(Cl)c(C)c2)cc1)c1ccc(N2CCCCCC2)cc1 33497327 SFLOZDUTDJHPGD-VAMRJTSQSA-N 490.047 6.762 50 10 JKGE CCCCCOc1ccc(/C=C(/C#N)C(=O)Nc2ncc(Cc3ccc(F)cc3)s2)cc1OC 33644435 BIMOONUIDKBNQL-MOSHPQCFSA-N 479.577 5.996 50 10 JKGE COc1ccc(-c2csc(/C(C#N)=C\c3ccccc3OCc3ccccc3)n2)cc1OC 34793926 MYKBIOPAOJOLOA-HMAPJEAMSA-N 454.551 6.470 50 10 JKGE C[C@H](c1ccccc1)N(Cc1cc(NC(=O)C(C)(C)CCl)ccc1N(C)C)C(=O)C(C)(C)C 34921578 CIGARKDVKMOGLD-LJQANCHMSA-N 472.073 6.092 50 10 JKGE N#CC1=C(N)Oc2cc(OC(=O)c3ccc(Br)cc3)ccc2[C@@H]1c1cccc2ccccc12 38657664 PNRRDZXKNVVFSX-VWLOTQADSA-N 497.348 6.040 50 10 JKGE CCOc1cccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4ccc(Br)cc4)ccc32)c1 38684849 OUVZYWMGRJHECU-HSZRJFAPSA-N 491.341 5.285 50 10 JKGE COc1ccc(C(=O)N/N=C2\CCCc3oc(C(=O)Nc4cc(Cl)ccc4C)c(C)c32)cc1 40813827 FSFJOGYEHBVMDB-TURZUDJPSA-N 465.937 5.281 50 10 JKGE N#C/C(=C/c1ccc(OCC(=O)Nc2ccc(OC(F)(F)F)cc2)cc1)c1nc2ccccc2[nH]1 50568392 JQJIXADJJDTLAA-LGMDPLHJSA-N 478.430 5.543 50 10 JKGE CCOC(=O)c1ccc(NC(=O)/C(C#N)=C\c2cccc(OCc3cccc4ccccc34)c2)cc1 96595814 DWOLNQMQRNQAIV-UQQQWYQISA-N 476.532 6.141 50 10 JKGE Cc1cc(/C=C(/C#N)C(=O)NCc2cccs2)c(C)n1-c1ccc(NC2CCCC2)c([N+](=O)[O-])c1 96610643 YKPRUCHGYRHJLL-MOSHPQCFSA-N 489.601 5.642 50 10 JKGE COc1ccc([C@@H](C(=O)NC2CCCCCC2)N(CCC2=CCCCC2)C(=O)CCl)cc1 97914996 QESPYNSGYGOEFB-VWLOTQADSA-N 461.046 5.533 50 10 JKGE COc1cc(/C=C2/C(=O)N(CC(C)C)C(=O)C(C#N)=C2C)ccc1OCc1ccccc1Cl 101334885 RANLTWVTDOESIM-RGVLZGJSSA-N 464.949 5.176 50 10 JKGE FC(F)(F)c1ccc(C[C@H](Br)c2cc(Br)ccc2Br)cc1 109844797 ZQVNXJFHKKGFNL-AWEZNQCLSA-N 486.951 6.909 50 10 JKGE O=C(c1cc(Br)c(Br)s1)N1CCCC[C@H]1CCBr 123266270 JNKGFPGNPVJCOH-QMMMGPOBSA-N 460.029 5.053 50 10 JKGE CCOc1ccc([C@H](Cl)c2ccccc2I)c(Br)c1 126681202 RFZNMVVLBUUZOC-HNNXBMFYSA-N 451.529 5.781 50 10 JKGE Cc1ccc(C)c(C[C@H](Br)c2cc(Br)c(Br)s2)c1 128275350 YXHBFYIQWPFPLK-NSHDSACASA-N 453.037 6.569 50 10 JKGE Fc1ccc([C@@H](Br)c2cc(Br)c(Br)s2)c(F)c1F 128290393 KBZLIEPFGFFITI-MRVPVSSYSA-N 464.926 6.175 50 10 JKGE FC(F)(F)c1ccc([C@H](Br)c2cc(Br)c(Br)s2)cc1 128292406 GTDMZNHMFQQTHV-JTQLQIEISA-N 478.953 6.776 50 10 JKGE COc1cc([C@H](Br)c2cccc(Br)c2)c(OC)cc1Br 134294692 UFEXWFSNFBMVGN-OAHLLOKOSA-N 464.979 5.713 50 10 JKGE C[C@@H]1C[C@@H](O[C@@H](CI)c2ccccc2Br)CC(C)(C)C1 162143006 HSSVUOQWGQDUEC-IOASZLSFSA-N 451.186 6.157 50 10 JKGE CCOC(=O)c1ccc(NC(=O)/C(C#N)=C\c2ccc(-c3cccc(C(F)(F)F)c3)o2)cc1 209396656 KSNIEJDMDTWXQE-LGMDPLHJSA-N 454.404 5.688 50 10 JKGE CCCOc1ccc([C@H](Br)c2cc(F)ccc2Br)cc1Br 229004962 DQZBRQKOOPOWLC-INIZCTEOSA-N 480.997 6.624 50 10 JKGE O=[N+]([O-])c1ccccc1C[C@@H](Br)c1cc(Br)sc1Br 232478036 BTVVEGGENJKYFZ-SECBINFHSA-N 469.980 5.860 50 10 JKGE CCOc1ccc([C@@H](Br)c2cccc(C)c2Br)c(Br)c1 233820054 KRIYFRFZNWVLQJ-MRXNPFEDSA-N 463.007 6.403 50 10 JKGE Clc1ccc(C[C@@H](Br)c2cc(Br)cc(Br)c2)cc1 236045766 UATVNRQTNAYSHL-CQSZACIVSA-N 453.399 6.544 50 10 JKGE 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 253529472 KUJXAJMABXMSCW-YSLAPMGRSA-N 460.775 7.170 50 10 JKGE CC(=NNC(=O)COc1ccc(-c2ccc(C#N)cc2)cc1)c1ccc2c(c1)Nc1ccccc1S2 254296923 XJCPZCDVVFCLKO-UHFFFAOYSA-N 490.588 6.353 50 10 JKGE Cc1ccc(N=Nc2ccc(O)c(C=NNC(=O)[C@H]3C[C@@H]3c3ccc(C(C)(C)C)cc3)c2)cc1C 254594385 DGODHGMOKOFVQE-FTJBHMTQSA-N 468.601 6.976 50 10 JKGE CC(=NNC(=O)c1ccc(CSc2nc3ccccc3[nH]2)cc1)c1ccc(OC(F)F)cc1 254822730 KTYVQRZYHXIIBF-UHFFFAOYSA-N 466.513 5.611 50 10 JKGE Cc1cccc([C@@H](Cl)c2cc(F)c(Br)cc2F)c1I 300470501 BEFQJXDQNXEDJH-CYBMUJFWSA-N 457.483 5.969 50 10 JKGE BrCc1ccc(I)c2sc(I)cc12 307420284 LTZPOCPQIZQZQJ-UHFFFAOYSA-N 478.918 5.005 50 10 JKGE Cc1c(Cl)ccc2nc(CCCl)n(CCCN(Cc3ccccc3)Cc3ccccc3)c12 390478502 KESGRCWVNBDEGU-UHFFFAOYSA-N 466.456 6.872 50 10 JKGE C[C@@H](Cl)c1nc2cc(I)ccc2n1[C@H](C)COCc1ccccc1 390667128 UOHVVYVDDNKNRV-ZIAGYGMSSA-N 454.739 5.719 50 10 JKGE Clc1cc([C@H](Cl)c2sccc2I)c(Cl)c(Cl)c1Cl 404609408 DXBBCOYFCCXTLB-QMMMGPOBSA-N 472.389 7.295 50 10 JKGE CC(C)[Si](OC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC=C4CC(=O)CC[C@]4(C)[C@@H]3CC[C@@]21C)(C(C)C)C(C)C 605696415 YGIHNOOJRCPWAC-XGBSISQDSA-N 486.857 8.963 50 10 JKGE in-vitro Clc1cc([C@H](Br)c2ncsc2Br)sc1Br 698610822 QIBGHTQORKZHBD-YFKPBYRVSA-N 452.418 5.867 50 10 JKGE C[C@@H](Br)C[C@@H]1CCCCCN1C(=O)c1scc(Br)c1Br 707806017 GMZDKLYPRZLRPL-ZJUUUORDSA-N 488.083 5.831 50 10 JKGE Cc1sc([C@@H](Br)c2cccc(OCc3ccccc3)c2)c(C)c1Br 724928369 LWLABSYUGJDQPX-IBGZPJMESA-N 466.238 7.191 50 10 JKGE Cc1ccc(-c2ccccc2)n1-c1ccc(C(=O)NN=Cc2ccc(-c3cccc(Cl)c3)o2)cc1 1083918761 UREMYIYZGPPUCD-UHFFFAOYSA-N 479.967 7.130 50 10 JKGE COc1ccccc1C(=O)NN=Cc1cc(Br)c(Sc2ccc(Cl)cc2)o1 1084001113 WCNOFURPPVMSBA-UHFFFAOYSA-N 465.756 5.619 50 10 JKGE CC1=CC(C=NNC(=O)CC[C@@H](O)c2ccccc2)=C(C)[C@@H]1c1ccc(OCc2ccccc2)cc1 1084072860 IRNRIQQPEMIKLQ-BVRKHOPBSA-N 480.608 6.241 50 10 JKGE Cc1cc(C=NNC(=O)c2ccccc2Br)c(C)n1-c1cccc(Br)c1 1084213000 CYMDOLJYEPWNNH-UHFFFAOYSA-N 475.184 5.383 50 10 JKGE CCCCc1ccc(-n2c(C)cc(/C=C(\C#N)C(=O)Nc3cccc(Cl)c3Cl)c2C)cc1 1084230840 MGZIVHYHPSTWSZ-RCCKNPSSSA-N 466.412 7.289 50 10 JKGE CCOc1cc(/C=C(/C#N)C(=O)Nc2cc(Cl)ccc2C)ccc1OCc1cccc(C)c1 1084453859 JOZUQRPIKHZNHY-XKZIYDEJSA-N 460.961 6.480 50 10 JKGE O=C(NN=Cc1cc(Br)ccc1OCc1ccccc1)c1ccc(Cl)cc1Cl 1084473526 LSDVUYPNOJTXPN-UHFFFAOYSA-N 478.173 6.099 50 10 JKGE N#CSc1ccc(NC(=O)c2cc(CCc3ccccc3)n(-c3cccc4ccccc34)n2)cc1 1862326804 LXUXNEUUOVPQLV-UHFFFAOYSA-N 474.589 6.636 50 10 JKGE COc1ccc(-c2nn(-c3ccc(Cl)cc3)c3c2[C@H](c2cccc(Cl)c2)C(C#N)=C(N)O3)cc1 1865684468 YXPQFEBELGQFGO-JOCHJYFZSA-N 489.362 6.073 50 10 JKGE N#CC1=C(N)Oc2c(c(-c3ccccc3)nn2-c2ccc(Cl)cc2)[C@H]1c1ccccc1Cl 1865684842 AADWAGYWCDODQE-NRFANRHFSA-N 459.336 6.064 50 10 JKGE N#CC1=C(N)Oc2c(c(C(F)(F)F)nn2-c2ccccc2)[C@@H]1c1ccc(Cl)c(Cl)c1 1865686376 VQNWFSXOIMOJPN-OAHLLOKOSA-N 451.235 5.416 50 10 JKGE N#CC1=C(N)Oc2c(c(-c3ccccc3)nn2Cc2ccccc2)[C@@H]1c1cc(Cl)ccc1O 1865688892 DJJWSXOFATYICK-JOCHJYFZSA-N 454.917 5.176 50 10 JKGE CCCCCOc1ccc([C@H]2C(C#N)=C(N)Oc3c2c(C(F)(F)F)nn3-c2ccccn2)cc1 1865690578 VQTMGOXPYSVPFP-IBGZPJMESA-N 469.467 5.073 50 10 JKGE CCCOc1c(OC)cccc1[C@@H]1C(C#N)=C(N)Oc2c1c(CC)nn2-c1ccc(Cl)c(Cl)c1 1865693413 OCESIGNILMIGKY-OAQYLSRUSA-N 499.398 5.757 50 10 JKGE CCOc1ccc([C@H]2C(C#N)=C(N)Oc3c2c(CC)nn3-c2ccc(Cl)c(Cl)c2)cc1OC 1865695706 ROIFTTHNDDOLLP-NRFANRHFSA-N 485.371 5.367 50 10 JKGE N#CC1=C(N)Oc2c(c(C(F)(F)F)nn2Cc2ccc(Cl)cc2)[C@H]1c1c[nH]c2ccccc12 1865700502 VSLKQNHWJQOELB-GOSISDBHSA-N 469.854 5.303 50 10 JKGE N#CC1=C(N)Oc2c(c(C(F)(F)F)nn2-c2cccc3ccccc23)[C@H]1c1ccc(F)cc1F 1865701886 HHDSWRNSMAKISU-IBGZPJMESA-N 468.385 5.541 50 10 JKGE COc1ccc(-c2nn(-c3ccc(OC)cc3)c3c2[C@H](c2ccc(F)cc2F)C(C#N)=C(N)O3)cc1 1865702060 LRNLRVHSCPUGFU-HSZRJFAPSA-N 486.478 5.053 50 10 JKGE Cc1ccc(-n2nc(C)c3c2OC(N)=C(C#N)[C@@H]3c2ccc(OCc3ccccc3Cl)cc2)cc1 1865703549 AUSUWBGBJHRXPW-SANMLTNESA-N 482.971 5.940 50 10 JKGE CCn1nc(C(F)(F)F)c2c1OC(N)=C(C#N)[C@@H]2c1ccc(OCc2ccccc2Cl)cc1 1865704151 ONZSEHRJIJTZNM-SFHVURJKSA-N 474.870 5.372 50 10 JKGE COc1ccc(-c2nn(-c3ccccc3Cl)c3c2[C@H](c2cccc(C)c2)C(C#N)=C(N)O3)cc1 1865710834 JNUDBEBLVXTNSY-HSZRJFAPSA-N 468.944 5.728 50 10 JKGE Cc1nn(-c2ccc(Br)cc2)c2c1[C@H](c1ccc(C(F)(F)F)cc1)C(C#N)=C(N)O2 1865711064 OWNCNCAXFRYJCO-GOSISDBHSA-N 475.268 5.180 50 10 JKGE CCc1nn(Cc2c(F)cccc2Cl)c2c1[C@H](c1ccc(Br)cc1)C(C#N)=C(N)O2 1865714997 SKKZDNAKFCMOIF-LJQANCHMSA-N 487.760 5.267 50 10 JKGE CCCC[C@H](NC(=O)[C@@H](c1ccc(Cl)cc1)C1CC1)C(=O)Nc1ccc(SC#N)cc1 1867002489 SKHSJBHFYCWLNQ-FCHUYYIVSA-N 456.011 5.720 50 10 JKGE CCCc1nc(Nc2ccc(SC#N)cc2)cc(N2CCS[C@H](c3ccc(OC)cc3)C2)n1 1868388619 MERJUVLWVNBDHB-QFIPXVFZSA-N 477.659 6.049 50 10 JKGE CCCCc1ccc(-c2csc(/C(C#N)=C(\O)[C@H]3CC(=O)N(c4ccc(CCCC)cc4)C3)n2)cc1 1872744883 MYJWHWQRBHYPLZ-OWGOKANHSA-N 499.680 7.341 50 10 JKGE CC(C)c1ccccc1O[C@H](C)/C(O)=C(\C#N)c1nc(-c2ccc(Br)cc2)cs1 1872746663 RVPOWRAPSCVHJH-GTOLFZDISA-N 469.404 6.956 50 10 JKGE COc1cc(/C(O)=C(\C#N)c2nc(-c3ccc(F)cc3)cs2)c(Br)c(OC)c1OC 1872752228 SGHGIQJERVEBFO-JXAWBTAJSA-N 491.338 5.687 50 10 JKGE CC(C)c1ccc(-c2csc(/C(C#N)=C(\O)Cc3ccc(OCc4ccccc4)cc3)n2)cc1 1872752305 VTEBQZLBYLEPHM-SGEDCAFJSA-N 466.606 7.548 50 10 JKGE COc1ccc(-c2csc(/C(C#N)=C(\O)CCCOc3ccc4ccccc4c3)n2)cc1F 1872752735 PYADUPALYCMYHS-FLFQWRMESA-N 460.530 6.763 50 10 JKGE COc1cc(-c2csc(/C(C#N)=C(\O)[C@@H]3CC(=O)N(Cc4ccccc4)C3)n2)c(OC)cc1Cl 1872754740 GSVLLNHTLMPTPN-MANHQWRXSA-N 495.988 5.322 50 10 JKGE COc1ccc(-c2csc(/C(C#N)=C(\O)c3ccc(N4CCOCC4)c([N+](=O)[O-])c3)n2)cc1Cl 1872757335 AOIQMCXRWZEARP-JWGURIENSA-N 498.948 5.167 50 10 JKGE COc1ccc(OC)c(/C=C/C(O)=C(\C#N)c2nc(-c3cc(Cl)ccc3Cl)cs2)c1 1872758611 IJEWREIFLNSGKG-UIZFBHIPSA-N 459.354 6.640 50 10 JKGE CCCOc1c(Br)cc(/C=C(\C#N)c2nc(-c3ccc(C(C)C)cc3)cs2)cc1OC 1872791610 NQFPBLWRFQJKAN-RGVLZGJSSA-N 497.458 7.558 50 10 JKGE COc1cc(Br)cc(/C=C(\C#N)c2nc(-c3cc(Cl)ccc3Cl)cs2)c1O 1872794880 BHMKOCDWBGBUTM-NYYWCZLTSA-N 482.186 6.658 50 10 JKGE Cl[C@@H](c1ccc(OCc2ccccc2)cc1Br)c1ccsc1Br 1899866949 YEICLEHLUWZYMZ-KRWDZBQOSA-N 472.629 7.180 50 10 JKGE C[C@H](Cl)c1nc2c(Br)cc(F)cc2n1C(C)(C)CN(C)Cc1ccccc1 1912668047 DKUFRAYILQQEOA-AWEZNQCLSA-N 452.799 6.105 50 10 JKGE C[C@@H]([C@H]1CCN(Cc2ccccc2)C1)n1c(CCl)nc2c(Br)cc(F)cc21 1912668794 IGROMTDNFQKVEC-HOCLYGCPSA-N 450.783 5.760 50 10 JKGE C[C@@H](CCCl)N(Cc1ccccc1)c1ncc(C(F)(F)F)cc1I 1915081137 FBYLIHPJSUJNMQ-LBPRGKRZSA-N 468.688 5.729 50 10 JKGE COc1cc(Br)ccc1[C@@H](Br)[C@@H](C)c1ccncc1Br 1924038373 DAASDAFXEKJEFX-VFZGTOFNSA-N 463.995 5.855 50 10 JKGE Cl[C@H](Cc1ccncc1Br)c1cc(Br)ccc1Br 1924048762 VOPMPCQLQWEEPY-CYBMUJFWSA-N 454.387 5.892 50 10 JKGE CC1([C@@H](Br)c2c(Br)sc(Br)c2Br)CC1 1924577173 XZKMWXWXPXPQKT-LURJTMIESA-N 467.846 6.272 50 10 JKGE CC(C)(C1CC1)[C@H](Br)c1c(Br)sc(Br)c1Br 1924615092 WJPGBMAEKPJXMT-MRVPVSSYSA-N 495.900 6.908 50 10 JKGE C[C@H]([C@@H]1CCCO1)[C@H](Cl)c1c(Br)sc(Br)c1Br 1924615235 YBOXPWHZWLGIMV-JHEQGTHGSA-N 467.448 6.131 50 10 JKGE Cc1sc(Br)cc1[C@@H](Cl)c1c(Br)cccc1Br 1945322149 KLMDNYIVTQPPLS-GFCCVEGCSA-N 459.428 6.672 50 10 JKGE Fc1cccc(Br)c1[C@H](Br)c1sc(Cl)cc1Br 1948828878 NYULPUIILHGBTN-JTQLQIEISA-N 463.391 6.550 50 10 JKGE CC(C)(C)OC(=O)NC[C@](C)(CBr)OCc1cc(Cl)ccc1Br 1993166665 YCXNIDFOJYVLFA-INIZCTEOSA-N 471.617 5.297 50 10 JKGE CC(C)[C@H](C)N(Cc1ccccc1)S(=O)(=O)c1cc(CBr)sc1Br 2009622203 OETMSMCURTUVGW-ZDUSSCGKSA-N 495.302 5.641 50 10 JKGE C[C@@]1([C@@H](Cl)c2c(Br)sc(Br)c2Br)CCCOC1 2015962624 DXHCLQUBTPCLTG-GZMMTYOYSA-N 467.448 6.132 50 10 JKGE CS(=O)(=O)c1csc([C@H](Br)c2scc(Br)c2Br)c1 2032169100 SXJAIMSTUCKEGH-VIFPVBQESA-N 495.077 5.222 50 10 JKGE Cc1cc(Br)c([C@H](Br)c2sc(Cl)cc2Br)cc1Cl 2036937939 BKJGCAJHKYHINW-NSHDSACASA-N 493.873 7.373 50 10 JKGE FC1(F)CCOC[C@H]1[C@@H](Cl)c1c(Br)sc(Br)c1Br 2047874959 RTKITNWKDQSYKN-MHTLYPKNSA-N 489.401 5.987 50 10 JKGE C[C@H](NCCSSCCNC(=O)OC(C)(C)C)c1ccc(F)c(Br)c1 2061264928 VJVWFLOFQKOTMA-LBPRGKRZSA-N 453.443 5.145 50 10 JKGE Cc1cc(Cl)c([C@@H](Br)c2cc(Br)c(Br)s2)cc1Cl 2081587951 CFAPZHCEZICYRH-LLVKDONJSA-N 493.873 7.373 50 10 JKGE Cc1sc(Br)c([C@H](Cl)c2ccc(Br)cc2Br)c1C 2082873168 HXYXKELAUHOLET-GFCCVEGCSA-N 473.455 6.981 50 10 JKGE Fc1cccc(Cl)c1C[C@@H](Br)c1c(Br)cccc1Br 2094100275 PNOVNDXPJJAMJJ-LLVKDONJSA-N 471.389 6.683 50 10 JKGE CC(C)(C)CN(Cc1ccccc1)S(=O)(=O)c1cc(Br)cc(CCl)c1F 2095917738 JVQSEVYIZPGJFS-UHFFFAOYSA-N 462.812 5.564 50 10 JKGE C[C@@H](Cn1c(CCCl)nc2cc(Br)c(Cl)cc21)N(C)Cc1ccccc1 2103621755 DGLLVIQTRPKIHK-AWEZNQCLSA-N 455.227 5.754 50 10 JKGE Clc1c(Br)cccc1COc1ccc(CBr)cc1Br 2110526412 ONXODMNMFZOUIR-UHFFFAOYSA-N 469.398 6.339 50 10 JKGE O=C1Cc2cc([C@@H](Br)c3cc(Br)cs3)c(Br)cc2N1 2115924332 LEEWSTOBWAABOV-CYBMUJFWSA-N 465.992 5.252 50 10 JKGE CC1(C)C[C@@H](Br)CCN(Cc2cc(Br)ccc2Br)C1 2118518869 DFCXEJKSBCOIGE-ZDUSSCGKSA-N 454.044 5.597 50 10 JKGE BrCCCC1CCN(Cc2cc(Br)ccc2Br)CC1 2118520480 VJJSIFUNVMDMCG-UHFFFAOYSA-N 454.044 5.599 50 10 JKGE CCn1cc(Br)c([C@@H](Br)c2cc(Cl)c(Br)cc2F)n1 2124767387 MSLOXNXUZJSMHU-NSHDSACASA-N 475.381 5.705 50 10 JKGE C[C@@H]1C[C@@H](n2c(CCl)nc3cc(I)ccc32)CN(Cc2ccccc2)C1 2127807529 XFOANOZTQQQWSO-CRAIPNDOSA-N 479.793 5.463 50 10 JKGE F[C@@H]1[C@@H](Br)C[C@H]2CC[C@H]1N2Cc1cccc(Br)c1Br 2134122362 JXQCTAIMHHMAKP-RFVSLCSESA-N 455.991 5.050 50 10 JKGE F[C@H]1[C@@H](Br)C[C@H]2CC[C@H]1N2Cc1cc(Br)ccc1Br 2134129941 OJIPDPBOVQBRAV-CABNGKKXSA-N 455.991 5.050 50 10 JKGE Cc1cc(Br)c(C)c([C@H](Br)[C@@H]2[C@H]3CCOC[C@H]32)c1Br 2136375398 VATQIABZAOBZIY-VWFLFCASSA-N 453.012 5.547 50 10 JKGE COC1CC(C[C@@H](Br)c2c(C)c(Br)cc(C)c2Br)C1 2136376266 DKDPMYLSLMHDOZ-GCZXYKMCSA-N 455.028 6.080 50 10 JKGE Cc1c(Br)ccc([C@H](Br)C[C@H]2CCC23CCC3)c1Br 2138869666 BXHKFMGTPYTLCO-BXUZGUMPSA-N 451.040 6.926 50 10 JKGE COc1c(C)cc(Br)cc1[C@H](Br)c1cc(C)sc1Br 2141638936 GZFDBFNXQPPMTC-LBPRGKRZSA-N 469.036 6.383 50 10 JKGE Fc1ccc(N2CCC[C@H]2[C@@H]2CCN(Cc3ccccc3)C2)c(CBr)c1Cl 2145257535 WICLIQBHKBOCAJ-XLIONFOSSA-N 451.811 5.865 50 10 JKGE COc1cc(Br)c(C)cc1[C@@H](Cl)c1cccc(C)c1I 2145957885 RRWFWNJZLNVCHH-HNNXBMFYSA-N 465.556 6.007 50 10 JKGE COc1cc(Br)c(C)cc1[C@H](Br)c1ccc(Cl)c(Br)c1 2145958285 UNEWSXZCMKIBLP-OAHLLOKOSA-N 483.425 6.666 50 10 JKGE O=C(N[C@@H]1CCCC[C@@H]1CCBr)c1cccc(Br)c1Br 2148749071 BAFDXQLDWSDSAF-ZWNOBZJWSA-N 468.027 5.285 50 10 JKGE Cc1cc(Br)sc1[C@@H](Br)c1cc(Br)cc(C(F)(F)F)c1 2172407679 HZYWNTKPFDWQCC-NSHDSACASA-N 492.980 7.085 50 10 JKGE C[C@@H]1[C@@H](O[C@](C)(CI)c2ccccc2Br)CCC[C@H]1C 2201017301 NVHQJFIKBWYTFS-OSRSDYAFSA-N 451.186 5.941 50 10 JKGE CCOC1CC(C[C@@H](Br)c2c(C)c(Br)cc(C)c2Br)C1 2201069560 KWVCGEYCKLXGIJ-ORHYLEIMSA-N 469.055 6.470 50 10 JKGE Cc1cc(Br)c(C)c([C@H](Br)C[C@@H]2CCC[C@H]3C[C@@H]23)c1Br 2201079131 QVIPXWWKRFLZBJ-RMRHIDDWSA-N 465.067 7.091 50 10 JKGE CC[C@@H]1CC[C@@H](CC(CBr)(CBr)c2ccc(Br)cc2)O1 2201410454 GKWJUXQDWFHYIL-CABCVRRESA-N 469.055 5.824 50 10 JKGE COc1ccc([C@H](Br)c2ccc(F)cc2I)c(Cl)c1Cl 2203433950 UMGJSOLUOSWMHQ-GFCCVEGCSA-N 489.937 6.230 50 10 JKGE COc1cc(OC)cc([C@H](Br)c2ccc(Br)cc2Br)c1 2203688686 VLDAHXLEHSHJFZ-HNNXBMFYSA-N 464.979 5.713 50 10 JKGE Cc1ccc(I)c(C(=O)N(Cc2ccccc2)C2(CBr)CCC2)c1 2217402584 XFJCTFQNAZHVLX-UHFFFAOYSA-N 498.202 5.560 50 10 JKGE CC(F)(F)[C@@H]1C[C@H]1[C@H](Br)c1cc(Br)c(Br)cc1F 2218602995 IIVCWBGOTXPZSY-REBBBIQUSA-N 450.918 6.078 50 10 JKGE O=C(c1cc(Br)c(Br)s1)N1CCC[C@H](CCCBr)C1 2225815802 YZNCQWJIJHZOBZ-VIFPVBQESA-N 474.056 5.300 50 10 JKGE FC1(COc2c(Br)cc(CBr)cc2Br)CCOCC1 2229969494 SUXQCGCESMKJLO-UHFFFAOYSA-N 460.963 5.004 50 10 JKGE CCOCc1cc(Br)c([C@@H](Br)Cc2ccc(Br)cc2)s1 2233023207 QWUJBLJCJXSWHI-ZDUSSCGKSA-N 483.063 6.488 50 10 JKGE Cc1sc([C@H](Br)c2cc(Br)cc3c2OCCC3)cc1Br 2234474605 MKAWJKRTEBHHTQ-CQSZACIVSA-N 481.047 6.391 50 10 JKGE Cc1cc(Br)c([C@@H](Br)C[C@H]2CCC23CCC3)c(C)c1Br 2235600330 QEPQKQFAPYKADC-OCCSQVGLSA-N 465.067 7.235 50 10 JKGE Cc1cc(Br)c([C@@H](Br)C2(CC(F)F)CCC2)c(C)c1Br 2235621111 ZRXSPOHGZWPRSS-CQSZACIVSA-N 475.009 7.090 50 10 JKGE Brc1ccc(Br)c([C@H](Br)c2cocc2Br)c1 2244216070 IKGSYFRXYSAHKC-NSHDSACASA-N 473.784 6.051 50 10 JKGE Cc1cc(Cl)c(Cl)cc1[C@@H](Br)c1sccc1I 2246342474 XPORIRMNYUQBDJ-LLVKDONJSA-N 461.977 6.452 50 10 JKGE Cc1cccc(Br)c1[C@H](Br)c1sc(C)c(C)c1Br 2253503768 GVOMXZQIXJDHSX-ZDUSSCGKSA-N 453.037 6.683 50 10 JKGE C[C@H](Br)CN(C(=O)c1cc(Br)c(Br)s1)C(C)(C)C 2259804145 ZXOKHPHRUVNWKU-ZETCQYMHSA-N 462.045 5.297 50 10 JKGE Cc1sccc1[C@H](Br)c1c(F)cc(Br)c(F)c1Br 2260082718 GWWSNFHCHSXYMR-JTQLQIEISA-N 460.963 6.344 50 10 JKGE Cc1csc([C@@H](Br)Cc2cc(Br)cc(Br)c2)c1Cl 2263516981 KXLOHXDOGROEQO-NSHDSACASA-N 473.455 6.914 50 10 JKGE COc1c(Br)cc(Cl)cc1[C@@H](Cl)c1cc(I)sn1 2263544270 DLNSMCOEQNEOLB-SNVBAGLBSA-N 478.964 5.500 50 10 JKGE Cc1cc2c(nc([C@H](C)Cl)n2CCCN(Cc2ccccc2)Cc2ccccc2)c(C)c1F 2264462581 FJIMKALYBBYWPN-QFIPXVFZSA-N 464.028 7.185 50 10 JKGE CN(Cc1ccc(I)cc1)c1cc(Br)ccc1CCl 2265603810 QRLZZYPOICVXHN-UHFFFAOYSA-N 450.545 5.429 50 10 JKGE Cc1sc([C@H](Br)c2cc(Br)cc(C(C)C)c2)c(C)c1Br 2280678055 ZIKIFVXZAURQKH-OAHLLOKOSA-N 481.091 7.498 50 10 JKGE Cc1cc(F)c(Br)cc1C(=O)N[C@H](C)CCCCCI 2285842666 MVUCNFQOYXHFJT-LLVKDONJSA-N 456.137 5.010 50 10 JKGE Cc1ccc([C@@H](Br)c2c(F)cc(Br)c(F)c2Br)cc1Cl 2288375840 HUXVZBXSXCWYSG-GFCCVEGCSA-N 489.379 6.936 50 10 JKGE N#CC(=Cc1ccc(-c2ccc(C(=O)OCc3ccccc3Cl)cc2)o1)C(N)=C(C#N)C#N 2293779447 JRWBIESIXQNXJH-UHFFFAOYSA-N 454.873 5.124 50 10 JKGE N#CC(=Cc1ccc(OCc2ccc(C(=O)O)cc2)cc1)C(=O)Nc1cccc(Br)c1 2294187493 WWCIOWHHEYKBDK-UHFFFAOYSA-N 477.314 5.272 50 10 JKGE COc1cc(C=C(C#N)c2ccc(F)cc2)c(Br)cc1OCc1ccccc1Cl 2294619948 QGVVMNMCFVYBMZ-UHFFFAOYSA-N 472.741 6.893 50 10 JKGE COc1ccccc1-c1cc(C(=O)NN=CC=Cc2ccccc2[N+](=O)[O-])c2ccccc2n1 2295542161 SQIVBEQXVLRKHY-UHFFFAOYSA-N 452.470 5.248 50 10 JKGE Cc1ccc(Br)c([C@H](Cl)c2sc(Cl)cc2I)c1 2301084183 QBHRIDFGXMBGDH-NSHDSACASA-N 461.977 6.405 50 10 JKGE Cc1cc(C=C(C#N)C(=O)Nc2ccc(Cl)cc2Cl)c(C)n1-c1ccc(C(=O)O)c(Cl)c1 2313545997 UZBANHGCHBCLTP-UHFFFAOYSA-N 488.758 6.298 50 10 JKGE COc1cc(NC(=O)C(C#N)=Cc2ccc(-c3ccc(Br)c(C)c3)o2)ccc1Cl 2313549453 WSVAOPFBRMXZIS-UHFFFAOYSA-N 471.738 6.225 50 10 JKGE Cc1ccc(NC(=O)C(C#N)=Cc2cc(Br)ccc2OCc2cccc(F)c2)cc1C 2313738887 WQCGJHYABTZBSR-UHFFFAOYSA-N 479.349 6.330 50 10 JKGE CCOC1CC(C[C@@H](Br)c2ccc(OCc3ccccc3)cc2Br)C1 2314449178 NVOHCSIQVIVZJV-OUNSHVDWSA-N 468.229 6.669 50 10 JKGE N#CC(=Cc1ccc(-c2ccc(Cl)c(Cl)c2)o1)c1nc(O)c2cc(Br)ccc2n1 2314486214 BWDABLVGSNIPQM-UHFFFAOYSA-N 487.140 6.729 50 10 JKGE COc1ccccc1[C@H]1C(C#N)=C(N)Oc2cc(OC(=O)C=Cc3ccccc3Cl)ccc21 2314634279 WURBQQQKWFHFKG-RUZDIDTESA-N 458.901 5.186 50 10 JKGE CCCCCOc1ccc(C=CC(=O)Oc2ccc(C=C(C#N)C(=O)OCC)cc2OC)cc1OC 2314717113 NKNFQMGFLBUARC-UHFFFAOYSA-N 493.556 5.362 50 10 JKGE COc1cccc([C@@H](Br)c2sc(Cl)cc2I)c1F 2316605155 FGNHNPCBSQAZSY-SNVBAGLBSA-N 461.521 5.638 50 10 JKGE COc1ccc(C(C#N)=Cc2ccc(OC(=O)c3ccc(C(F)(F)F)cc3)cc2)cc1OC 2320506911 UOJQLZGPBXASDY-UHFFFAOYSA-N 453.416 6.006 50 10 JKGE CC[C@@H]1[C@H](CBr)CCN1Cc1ccc(I)c(Br)c1 2325222418 KVDOAGNYUZXPIP-SMDDNHRTSA-N 487.017 5.049 50 10 JKGE COc1cccc(C=C(C#N)c2ccc(Cl)cc2F)c1OCc1ccc(Cl)c(Cl)c1 2331063864 IIWBQJYJRUEQTG-UHFFFAOYSA-N 462.735 7.438 50 10 JKGE CC(C)C[C@@H](C(O)=C(C#N)c1nc(-c2ccc3ccccc3c2)cs1)N1C(=O)c2ccccc2C1=O 2331237822 IRAGRTBRWJTHID-VWLOTQADSA-N 493.588 6.467 50 10 JKGE CCc1ccc(-c2csc(C(C#N)=C(O)[C@@H]([C@@H](C)CC)N3C(=O)c4ccccc4C3=O)n2)cc1 2331245874 CRNIYNCGQUKALY-QMHKHESXSA-N 471.582 5.876 50 10 JKGE CC(C)c1ccc(O[C@@H](C)C(O)=C(C#N)c2nc(-c3ccc(Br)cc3)cs2)cc1 2331260447 JTYRDTLFXLSEOX-HNNXBMFYSA-N 469.404 6.956 50 10 JKGE N#CC(=C(O)c1ccc(N2C(=O)c3ccccc3C2=O)cc1)c1nc(-c2ccc([N+](=O)[O-])cc2)cs1 2331279550 MSWLQQRPRAFHCO-UHFFFAOYSA-N 494.488 5.469 50 10 JKGE CCOc1ccccc1OCC(O)=C(C#N)c1nc(-c2cc(Cl)cc(Cl)c2OC)cs1 2331362803 SLNQPFZPDHSZLX-UHFFFAOYSA-N 477.369 6.396 50 10 JKGE Cc1cc(C)c(C)c(-c2csc(C(C#N)=C(O)[C@H]3CC(=O)N(Cc4ccccc4)C3)n2)c1C 2331364383 ATUTYHYPEOOJCB-NRFANRHFSA-N 457.599 5.885 50 10 JKGE CC[C@@H](C)N1C(=O)c2ccc(C(O)=C(C#N)c3nc(-c4c(C)cc(C)cc4C)cs3)cc2C1=O 2331393174 UVPWUIXOKOFGSZ-QGZVFWFLSA-N 471.582 6.080 50 10 JKGE COc1cccc(C=C(C#N)c2nc(-c3ccc4c(c3)OCO4)cs2)c1OCc1cccc(C)c1 2331454008 KYEPJSDQBYDARW-UHFFFAOYSA-N 482.561 6.499 50 10 JKGE COc1ccc(-c2csc(C(C#N)=Cc3ccc(OCCc4ccccc4)c(OC)c3)n2)c(OC)c1 2331473282 MEQCEZLSFAEZST-UHFFFAOYSA-N 498.604 6.522 50 10 JKGE Cc1cc2sc([C@@H](Cl)c3cc(Br)ccc3OCc3ccccc3)cc2s1 2336058075 XSPFSVZVAWIJOG-NRFANRHFSA-N 463.849 7.941 50 10 JKGE CCCc1sc(Br)cc1[C@@H](Cl)c1cccc(F)c1I 2338028517 WOGHAJXBUXWWFS-ZDUSSCGKSA-N 473.576 6.535 50 10 JKGE C[C@@H]1CCC[C@]12[C@@H](Cl)C[C@H]2Oc1cc(Br)cc(I)c1 2338756689 BZPKKBQBEBDNLK-KYQLBWAOSA-N 455.561 5.619 50 10 JKGE COc1c(Br)cc(C)c([C@@H](Br)c2cc(C)co2)c1Br 2339656331 MVBISCKFGOODIW-LBPRGKRZSA-N 452.968 5.914 50 10 JKGE COc1c(Br)cc(C)c([C@@H](Cl)c2ccc(Br)o2)c1Br 2339681870 MPFJAXRLBNWHIR-LBPRGKRZSA-N 473.386 6.212 50 10 JKGE Clc1ccc(CC[C@@H](Br)CC2CCCCC2)c(I)c1 2341031796 FJTKPFRZZFNDDH-CQSZACIVSA-N 455.605 6.611 50 10 JKGE Cc1cc(I)c(Oc2cc(CBr)sc2[N+](=O)[O-])cc1Cl 2361708189 HKQOXSADUNWDGH-UHFFFAOYSA-N 488.528 5.910 50 10 JKGE Cc1cc(Br)c(F)c(Br)c1[C@H](Br)C[C@@H]1CCCC12CC2 2365197278 UQXJVJMKFHWMAA-WDEREUQCSA-N 469.030 7.066 50 10 JKGE CC[C@@H](C)c1ccc([C@H](Br)c2ccc(Cl)cc2I)cc1 2365592040 KIBBVEPSZMTJMM-DIFFPNOSSA-N 463.584 6.942 50 10 JKGE O=C(N[C@H]1CCCC[C@H]1CCBr)c1ccc(Cl)cc1I 2365599190 UUISADGPYZSVJZ-HZMBPMFUSA-N 470.576 5.018 50 10 JKGE C[C@H](COCc1cc(I)ccc1Br)c1nc(CCl)cs1 2367272192 WMEWDLDQVGYZNB-SECBINFHSA-N 486.600 5.569 50 10 JKGE CC1CCC([C@@H](CBr)NCc2ccc(Cl)cc2I)CC1 2379743856 FZBFABBSKMHFAR-ZEPSKSRBSA-N 470.620 5.624 50 10 JKGE CC1(C)CCC[C@@](CBr)(Cc2cc(I)ccc2Cl)CC1 2380448938 WPVLCWPKOCCEQV-KRWDZBQOSA-N 469.632 6.859 50 10 JKGE CCOC(=O)c1cc(-c2ccccc2)sc1NC(=O)/C(C#N)=C\c1ccc(OCC)c(OC)c1 1959352 PHJRIPZXMAPPBN-UYRXBGFRSA-N 476.554 5.545 50 10 JKGE O=C(NC1CCCCC1)[C@H](c1ccc(F)cc1)N(Cc1ccccc1Cl)C(=O)CCl 3037448 IPWOAXQHNQRCDO-QFIPXVFZSA-N 451.369 5.237 50 10 JKGE COC(=O)c1c(NC(=O)/C(C#N)=C\c2ccc(-c3cc(Cl)ccc3Cl)o2)sc(C)c1C 33339722 WRYCITREYRIUCX-JYRVWZFOSA-N 475.353 6.264 50 10 JKGE N#C/C(=C/c1ccc(-c2ccc(Cl)cc2)o1)C(=O)Nc1ncc(Cc2cccc(Cl)c2)s1 33339921 OUIOQFHQFYYIAE-ATVHPVEESA-N 480.376 6.846 50 10 JKGE CCOC(=O)c1c(NC(=O)[C@@]23CC[C@@](C)([C@@H]2Br)C3(C)C)sc2c1CCCC2 33514183 CSJZIWOBRHVZRV-DZFGPLHGSA-N 454.430 5.332 50 10 JKGE N#C/C(=C/c1cc(Cl)ccc1OCc1ccc(C(=O)O)cc1)C(=O)Nc1ccc(Cl)cc1 33660037 AIZDVHXELMNKGL-WQRHYEAKSA-N 467.308 5.816 50 10 JKGE C/C(=N\NC(=O)CSc1nnc(SCc2ccccc2Cl)s1)c1ccc(Cl)cc1 33931078 ZQBUSEGSGAKSRL-WSDLNYQXSA-N 483.471 5.770 50 10 JKGE CCOc1ccccc1[C@@H]1C(C#N)=C(N)Oc2cc(OC(=O)Cc3ccc(Cl)cc3)ccc21 38650570 AKUWTNFAVSSGFU-VWLOTQADSA-N 460.917 5.105 50 10 JKGE CCc1ccc(OCC(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@H]3c2ccc(Cl)cc2Cl)cc1 38655566 LMHGZTKSDHTUSH-VWLOTQADSA-N 495.362 5.758 50 10 JKGE Cc1ccc(C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@H]3c2cccc(OCCC(C)C)c2)cc1 38684622 NXJOGLATPNTNML-MHZLTWQESA-N 468.553 5.857 50 10 JKGE CCCOc1ccc(C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@H]3c2cccc(OCC)c2)cc1 38684909 AIZWOIJQPZKFEL-SANMLTNESA-N 470.525 5.311 50 10 JKGE CCCCOc1ccccc1C(=O)Oc1ccc2c(c1)OC(N)=C(C#N)[C@@H]2c1ccc(OCC)cc1 38685948 FSHSKJWOZJUTIQ-HHHXNRCGSA-N 484.552 5.702 50 10 JKGE Cc1ccc(COc2ccc([C@@H]3C(C#N)=C(N)Oc4cc(OC(=O)c5ccco5)ccc43)cc2)cc1 38686296 KTPNVFVWXGBXBX-MHZLTWQESA-N 478.504 5.604 50 10 JKGE Cc1c(C(=O)Nc2ccc(F)cc2F)oc2c1/C(=N/NC(=O)c1cccc(Cl)c1)CCC2 40813376 MTGBKXQKORFMOF-MTDXEUNCSA-N 457.864 5.242 50 10 JKGE CCN(C(=O)c1oc2c(c1C)/C(=N/NC(=O)c1ccc(OC)cc1)CCC2)c1cccc(C)c1 40813882 UYRUBIJPFQHVBJ-XAYXJRQQSA-N 459.546 5.042 50 10 JKGE O=C(CC[C@@H](O)c1ccccc1)N/N=C\c1ccc(-c2ccc(Br)c(Cl)c2)o1 58891164 HMRJQQPSULNDQL-RIMPEIONSA-N 461.743 5.326 50 10 JKGE Cc1ccc(NC(=O)/C(C#N)=C/c2c(C)n(Cc3ccc(Cl)cc3Cl)c3ccccc23)cc1 59335535 JVRJOWMQQALXTP-DEDYPNTBSA-N 474.391 7.159 50 10 JKGE Cc1cc([C@H](Br)c2cc(F)ccc2Br)c(C)cc1Br 70472162 DUTSLLMLKXPSMQ-HNNXBMFYSA-N 450.971 6.452 50 10 JKGE Brc1cccc([C@@H](Br)c2cc(Br)sc2Br)c1 71101604 YEZRIMYLJVIOFR-SNVBAGLBSA-N 489.852 6.520 50 10 JKGE CC1CCC(NC(=O)[C@H](c2ccc(Cl)cc2)N(Cc2cccs2)C(=O)CCl)CC1 97914746 OWAUFOSVWFYIAX-RVAKQSJFSA-N 453.435 5.405 50 10 JKGE CCOc1ccc(N2C(=O)[C@@H](Cc3ccccc3)S/C2=C(/C#N)C(=O)Nc2cccc(C)c2)cc1 101245671 UGMAAXXOUPGDDH-IEQIIXMPSA-N 483.593 5.459 50 10 JKGE COc1cc(/C=C2/C(=O)N(C3CCCC3)C(=O)C(C#N)=C2C)ccc1OCc1ccc(Cl)cc1 101338798 DNAYMLTYXIMEJM-LPYMAVHISA-N 476.960 5.462 50 10 JKGE COc1cc2c(cc1N/C=C(/C#N)c1nc(-c3ccc(OC)c(OC)c3)cs1)oc1ccccc12 102421394 OODGDBNXHRFYGC-VKAVYKQESA-N 483.549 6.712 50 10 JKGE N#C/C(=C(\O)c1ccc(-c2ccc([N+](=O)[O-])cc2)o1)c1nc(-c2ccc3ccccc3c2)cs1 110515552 SVOVTZYOQAFFBD-NJNXFGOHSA-N 465.490 7.081 50 10 JKGE Fc1cccc(CC(CBr)(CBr)c2ccccc2Br)c1 118878979 FUJSTVMLRROEIU-UHFFFAOYSA-N 464.998 5.859 50 10 JKGE Fc1cccc(CC(CBr)(CBr)c2ccccc2Br)c1Cl 123429285 MKZCFOHXMMQLPC-UHFFFAOYSA-N 499.443 6.512 50 10 JKGE Brc1ccsc1[C@@H](Br)c1ccc(I)cc1 128580452 JSYTXCHRCJFRQU-JTQLQIEISA-N 457.956 5.600 50 10 JKGE O=c1[nH]c2cc(Br)c([C@H](Cl)c3ccc(Br)c(Cl)c3)cc2[nH]1 129186828 JEGJFGBKJVICHS-CYBMUJFWSA-N 450.945 5.363 50 10 JKGE CCCCCCOc1ccc(/C=C(/C#N)C(=O)Nc2nc(-c3cc(C)ccc3C)cs2)cc1OC 206693976 YPGIZGKHXCVNMY-JCMHNJIXSA-N 489.641 6.940 50 10 JKGE CC[C@H](C)N1C(=O)C(C#N)=C(C)/C(=C/c2cn(-c3ccccc3)nc2-c2ccc(OC)c(C)c2)C1=O 214257112 VBQMWBDSWBETSA-OQLNFPPLSA-N 480.568 5.247 50 10 JKGE CC[C@H](NC(=O)/C(C#N)=C\NCc1ccc(Br)cc1)c1ccc2c(c1)CCCC2 217193518 GVPKSIQTVWBGKF-ODFZLOHPSA-N 452.396 5.092 50 10 JKGE CCOC(=O)NN=C1C=C2CC[C@H]3[C@@H](CC[C@]4(C)[C@@H]3C[C@@H]3CCCC[C@]34C(C)=O)[C@@]2(C)CC1 254294364 ZGBFIPQSPKDRKC-VWZVVFTCSA-N 454.655 6.427 50 10 JKGE C=CCc1cccc(C=NNC(=O)CCn2c(-c3ccccc3)c(-c3ccccc3)c3ccccc32)c1O 254736563 OMTSXNFECRDDRR-UHFFFAOYSA-N 499.614 6.950 50 10 JKGE C[C@@H](Cl)c1nc2cc(I)ccc2n1C[C@@H]1CCCCN1Cc1ccccc1 379610262 PEFFGBQCSWBELH-APWZRJJASA-N 493.820 5.995 50 10 JKGE BrCc1cc(Br)cc(Br)c1OCc1cn2ccsc2n1 380079582 IVDCHPFTEFUMRM-UHFFFAOYSA-N 481.007 5.395 50 10 JKGE Clc1ccsc1CC(CBr)(CBr)c1cccc(Br)c1 387984788 ICCBZCNNDCIYRF-UHFFFAOYSA-N 487.482 6.434 50 10 JKGE CC(C)(C)[Si](C)(C)OCCc1ccc([C@@H]2c3ccccc3CCN2Cc2ccccc2)cc1 616587027 VLIHTXDVEMLWLW-GDLZYMKVSA-N 457.734 7.399 50 10 JKGE CC(C)(C)OC(=O)NCCN1CCCC[C@@H]1c1ccc(CCO[Si](C)(C)C(C)(C)C)cc1 616614668 IBSWVAZSDXNOHF-HSZRJFAPSA-N 462.751 6.303 50 10 JKGE CC(C)(C)[Si](C)(C)OCCc1ccc([C@H]2Cc3ccccc3N(Cc3ccccc3)C2)cc1 616670578 IURRUGLJSMYJCF-NDEPHWFRSA-N 457.734 7.597 50 10 JKGE CC(C)(C)[Si](C)(C)OCCc1ccccc1[C@H]1c2ccccc2CCN1Cc1ccccc1 616676943 CWHQQZAXHMQAIS-GDLZYMKVSA-N 457.734 7.399 50 10 JKGE C[C@@H](CBr)[C@H]1CCCCN1C(=O)c1ccc(Br)cc1Br 696714110 RGGUFVXBHBJSSL-IINYFYTJSA-N 468.027 5.237 50 10 JKGE COc1ccc([C@H](Br)c2scc(Br)c2Br)cc1OC 705470149 YIYBAPWLEUTZFT-NSHDSACASA-N 471.008 5.775 50 10 JKGE C[C@H](Cl)c1nc2c(C(F)(F)F)cccc2n1CCCN(Cc1ccccc1)Cc1ccccc1 717176933 ISZPAEVWVPTJNV-FQEVSTJZSA-N 485.981 7.447 50 10 JKGE C[C@H](Cl)c1nc2cc(I)ccc2n1C[C@H](C1CC1)N(C)Cc1ccccc1 718000276 YVQMLNKFVORRPU-YCRPNKLZSA-N 493.820 5.851 50 10 JKGE Cc1ccc([C@H](Br)c2ccccc2I)c(C)c1Br 719583931 RTAFFOHMJCWRPX-HNNXBMFYSA-N 479.981 6.155 50 10 JKGE Brc1cc([C@H](Br)c2ccc3c(c2)CCO3)ccc1I 721602572 KFSPTOKQOUYVHZ-OAHLLOKOSA-N 493.964 5.473 50 10 JKGE Cc1cc(C=NNC(=O)C(=O)Nc2ccc(Cl)cc2)c(C)n1-c1cc(Cl)ccc1Cl 725394451 SHADEHKKCFRHTR-UHFFFAOYSA-N 463.752 5.143 50 10 JKGE Cc1ccc(P(=O)(/C(=C\Sc2ccc(Cl)cc2)C(C)(C)C)c2ccc(C)cc2)cc1 725422179 FQSDPPBQXRAIGV-BWAHOGKJSA-N 455.003 7.951 50 10 JKGE CCCCCOc1ccc([C@@H]2CN(C(=O)OCc3ccccc3)C[C@@H]2CBr)cc1 725425929 OJPIOASASPHKPR-GMAHTHKFSA-N 460.412 6.003 50 10 JKGE COc1cc(/C=C(/C#N)C(=O)Nc2ccccc2Cl)ccc1OCc1cccc(Cl)c1 1083989126 ODSLRHNLVSWMRB-WQRHYEAKSA-N 453.325 6.127 50 10 JKGE CC(C)Cc1ccc([C@H](C)C(=O)NN=C2C(=O)N(Cc3ccccc3Cl)c3ccccc32)cc1 1084425058 NXZFUWZVFRFDGF-IBGZPJMESA-N 474.004 5.709 50 10 JKGE N#C/C(=C\c1cc(Br)cc(Br)c1O)C(=O)Nc1cccc(Cl)c1Cl 1084650414 DIAVEXKEPBGIEM-RUDMXATFSA-N 490.966 5.770 50 10 JKGE CC(C)(C)N(NC(=O)Nc1cc(C(F)(F)F)ccc1Cl)C(=O)c1cc(Cl)cc(Cl)c1 1088715383 VAHSCHDYFOAENE-UHFFFAOYSA-N 482.717 6.643 50 10 JKGE Cc1c(C(=O)NCCc2ccccc2)oc2c1C(=NNC(=O)c1ccc(-c3ccccc3)cc1)CCC2 1772747482 OZYINGPXPVWNRV-UHFFFAOYSA-N 491.591 5.698 50 10 JKGE CCc1ccc(OC(=O)c2oc3c(c2C)C(=NNC(=O)c2cccc(Cl)c2)CCC3)cc1 1772749124 XBJYCRUHMYHAAO-UHFFFAOYSA-N 450.922 5.493 50 10 JKGE Cc1c(C(=O)NCCC(C)C)oc2c1C(=NNC(=O)C(c1ccccc1)c1ccccc1)CCC2 1772749669 XFBMNQKXBNQKAH-UHFFFAOYSA-N 471.601 5.353 50 10 JKGE CCOc1ccc(C=NNC(=O)COc2cc(C)c(Cl)c(C)c2Br)cc1OCC 1772756492 BAZGOZVLEVKYIF-UHFFFAOYSA-N 483.790 5.046 50 10 JKGE Cc1cc(C)c(NC(=O)[C@@H](C)Oc2cccnc2NC(=O)Nc2ccc(SC#N)cc2)c(C)c1 1858840889 ANESLLGXZGZNFW-GOSISDBHSA-N 475.574 5.630 50 10 JKGE Cc1ccc(Cn2nc(C(=O)Nc3ccc(SC#N)cc3)cc2CCc2ccccc2)cc1 1862326922 RGJXDUBKCMSLAW-UHFFFAOYSA-N 452.583 5.851 50 10 JKGE CCCn1nc(-c2ccc(OC)cc2)c2c1OC(N)=C(C#N)[C@H]2c1ccc(Cl)c(Cl)c1 1865685351 HHGCQCPZCWUOKK-LJQANCHMSA-N 455.345 5.494 50 10 JKGE CCc1nn(Cc2ccc(Cl)cc2)c2c1[C@H](c1ccc(Cl)cc1Cl)C(C#N)=C(N)O2 1865685975 OZHHELFTXZEUTQ-LJQANCHMSA-N 459.764 5.672 50 10 JKGE CCCCCOc1ccc([C@H]2C(C#N)=C(N)Oc3c2c(CCC)nn3-c2cccc3ccccc23)cc1 1865689711 CTKYDRSWQDCPTJ-NDEPHWFRSA-N 492.623 6.765 50 10 JKGE CCCOc1ccc([C@H]2C(C#N)=C(N)Oc3c2c(-c2ccccc2)nn3CCC)cc1OCC 1865691297 OXCCAJFZVRLTGY-QHCPKHFHSA-N 458.562 5.366 50 10 JKGE CCCCCOc1ccc([C@H]2C(C#N)=C(N)Oc3c2c(CC)nn3-c2ccc(C)cc2)cc1OCC 1865691653 XMOUEJWIEJUICN-SANMLTNESA-N 486.616 5.929 50 10 JKGE COc1ccc(-c2nn(-c3ccc(Cl)c(Cl)c3)c3c2[C@H](c2ccncc2)C(C#N)=C(N)O3)cc1 1865701667 BDIYTPXCXVFFGD-OAQYLSRUSA-N 490.350 5.468 50 10 JKGE CCCOc1ccccc1[C@@H]1C(C#N)=C(N)Oc2c1c(-c1ccc(OC)cc1)nn2Cc1ccccc1 1865703070 MMSXOWBFTYOSNI-AREMUKBSSA-N 492.579 5.614 50 10 JKGE Cc1nn(Cc2ccccc2)c2c1[C@@H](c1ccccc1OCc1ccccc1Cl)C(C#N)=C(N)O2 1865703401 VDOCDVRQIQCSTQ-SANMLTNESA-N 482.971 5.690 50 10 JKGE CCCn1nc(CC)c2c1OC(N)=C(C#N)[C@@H]2c1ccc(OCc2ccccc2C)c(OCC)c1 1865705175 OCQDVBBDIBOCKF-VWLOTQADSA-N 472.589 5.360 50 10 JKGE COc1cc([C@H]2C(C#N)=C(N)Oc3c2c(C(F)(F)F)nn3-c2ccccc2Cl)cc(Cl)c1O 1865706942 JLRNINMGTVNQNH-HNNXBMFYSA-N 497.260 5.130 50 10 JKGE COc1ccc(-c2nn(Cc3cccc(F)c3)c3c2[C@@H](c2cccc(C)c2)C(C#N)=C(N)O3)cc1 1865710990 NGUMHJZOCVEJOU-DEOSSOPVSA-N 466.516 5.273 50 10 JKGE COc1cc(OC)c([C@H]2C(C#N)=C(N)Oc3c2c(-c2ccccc2)nn3-c2ccc(C)cc2)cc1OC 1865711499 ZYOKPBXURPTTPZ-VWLOTQADSA-N 494.551 5.092 50 10 JKGE COCCOc1ccc(/C=C(\C#N)C(=O)Nc2sc3c(c2C(=O)OC)CC[C@@H](C(C)(C)C)C3)cc1 1866215275 LKEDEVKSLQQFDQ-YWXUCKCNSA-N 496.629 5.257 50 10 JKGE CCCC[C@@H](NC(=O)C[C@H](c1ccc(F)c(C)c1)C(C)C)C(=O)Nc1ccc(SC#N)cc1 1866765650 JZOWJEFQQKLIEA-LADGPHEKSA-N 469.626 6.151 50 10 JKGE CC1(C)CN(c2cc(Nc3ccc(SC#N)cc3)nc(-c3ccc(F)cc3)n2)c2ccccc21 1868456226 KTORESOFTUHDHL-UHFFFAOYSA-N 467.573 7.029 50 10 JKGE COC(=O)c1ccc(/C(C#N)=C/c2cccc(OC)c2OCc2c(Cl)cccc2Cl)o1 1872728512 GQAXBCFYNRBDKO-RVDMUPIBSA-N 458.297 6.025 50 10 JKGE N#C/C(=C(/O)CCN1C(=O)c2ccccc2C1=O)c1nc(-c2ccc(Br)cc2)cs1 1872746719 UXJWQJMESSZDBZ-ZPHPHTNESA-N 480.343 5.052 50 10 JKGE CC(C)c1ccc(O[C@H](C)/C(O)=C(\C#N)c2nc(-c3ccc(Cl)c(Cl)c3)cs2)cc1 1872749502 UMNRERUVFPTMFD-FSXJBPCSSA-N 459.398 7.500 50 10 JKGE CC[C@@H](C)[C@@H](/C(O)=C(\C#N)c1nc(-c2ccc(F)c(F)c2)cs1)N1C(=O)c2ccccc2C1=O 1872751681 SDSDXENRFPMQCB-YXRUPLKASA-N 479.508 5.592 50 10 JKGE COc1cc(C)c(-c2csc(/C(C#N)=C(\O)CCCOc3c(C)cccc3C)n2)cc1C(C)C 1872753892 SDHAMGYBCPFWTK-BZZOAKBMSA-N 476.642 7.519 50 10 JKGE CCOc1ccc(/C=C/C(O)=C(\C#N)c2nc(-c3ccc(OC)c(Cl)c3)cs2)cc1OC 1872757533 KHQNATZGEKESGJ-UQIPZTAISA-N 468.962 6.385 50 10 JKGE CCCCCOc1ccc(/C=C(\C#N)c2nc(-c3ccc(F)cc3F)cs2)cc1OCC 1872784153 GDYYAABEMYJVQP-LDADJPATSA-N 454.542 7.120 50 10 JKGE COc1cc([C@@H](Cl)c2cc(Br)ccc2Br)ccc1Br 1876919084 OKHKDQPRADYPQB-CQSZACIVSA-N 469.398 6.311 50 10 JKGE Clc1ccc(I)c(C[C@H]2CCCCCCCC[C@@H]2Br)c1 1913396012 PXGJVBBKWPDCTA-CJNGLKHVSA-N 469.632 7.001 50 10 JKGE C[C@H](Br)CN(Cc1ccccc1)Cc1ccc(Br)cc1Br 1914609279 UGKOJRMEYTYREM-ZDUSSCGKSA-N 476.050 5.997 50 10 JKGE COc1ccc(C(=O)N(Cc2ccccc2)C(C)(C)CBr)cc1Br 1915756758 MPPWHGVAJKOURO-UHFFFAOYSA-N 455.190 5.274 50 10 JKGE Clc1c(Br)sc(Br)c1[C@H](Cl)c1cc2c(s1)CCCC2 1923067105 YNPYGWKJKZGAPN-SNVBAGLBSA-N 461.071 7.195 50 10 JKGE Cc1cc(CBr)cc(S(=O)(=O)N(Cc2ccccc2)C2CC2)c1Br 2009647532 URQSYABVKZBYLK-UHFFFAOYSA-N 473.230 5.006 50 10 JKGE Cc1cc(Cl)c(Br)cc1[C@H](Br)c1ccsc1Br 2023703457 ATNBDXSYIPSKGE-LLVKDONJSA-N 459.428 6.719 50 10 JKGE Cc1sc(Br)c([C@@H](Cl)c2csc(Br)c2Br)c1C 2024017664 JYAOOXTVCOMYDR-VIFPVBQESA-N 479.484 7.042 50 10 JKGE CCOc1ccc([C@H](Br)c2cscc2OCc2ccccc2)c(Br)c1 2038686561 QAUBOCSMSMDGII-FQEVSTJZSA-N 482.237 6.973 50 10 JKGE CC1(C)OCCC[C@H]1[C@H](Br)c1c(Br)sc(Br)c1Cl 2066883587 LQOYMQZKOVWHNH-XPUUQOCRSA-N 481.475 6.568 50 10 JKGE C[C@@H]1O[C@@]2([C@@H](Br)c3c(Br)sc(Br)c3Cl)CC[C@H]1C2 2078505352 LBHMPQFVFCFXLR-BRYRRJJASA-N 479.459 6.320 50 10 JKGE COc1c(Cl)cc(Br)cc1[C@@H](Br)c1sncc1Br 2082867846 GUVDZYAIZLBGNX-SECBINFHSA-N 476.415 5.814 50 10 JKGE CS(=O)(=O)c1csc([C@@H](Br)c2c(Br)cccc2Br)c1 2094100395 QSBIVTYUTDLWPS-GFCCVEGCSA-N 489.048 5.161 50 10 JKGE CCn1ncc(Br)c1[C@H](Br)c1cc(C2CC2)c(Br)s1 2094671041 JBLDQCXLCHMJNH-LLVKDONJSA-N 469.040 5.851 50 10 JKGE O=S(=O)(c1ccc(CCl)cc1Br)N(Cc1ccccc1)CC1CCCC1 2095813882 NKDYKBQXGUFCFL-UHFFFAOYSA-N 456.833 5.569 50 10 JKGE O=C(NCC[C@@H]1CCCC[C@H]1Br)c1cc(Br)sc1Br 2123029575 IRXNMTYPQSNJLS-WCBMZHEXSA-N 474.056 5.347 50 10 JKGE CC1(C)CCCN(C(=O)c2csc(Br)c2Br)[C@H]1CBr 2129314808 PBTSETASFYVPPQ-VIFPVBQESA-N 474.056 5.299 50 10 JKGE BrCc1cc(Br)cc(Br)c1OCC1C[C@H]2CC[C@@H]2C1 2132517274 XLGMEJMLYOXEGG-GHMZBOCLSA-N 453.012 5.922 50 10 JKGE O=C(NC12CCC(CBr)(CC1)C2)c1scc(Br)c1Br 2132777324 LDBFUCLVZNKGNG-UHFFFAOYSA-N 472.040 5.101 50 10 JKGE CN(c1ccc(CBr)c(Br)c1)[C@@H]1C[C@@H]2C[C@H](OCc3ccccc3)C[C@H]21 2134021086 ZNFQKZNTLNHZAF-LLMJNHHCSA-N 479.256 6.164 50 10 JKGE COc1cc(Cl)c([C@@H](Br)c2nc(C)sc2Br)cc1Br 2137638648 YZDVRVSYOZCOBD-SNVBAGLBSA-N 490.442 6.123 50 10 JKGE COC[C@@H]1CC[C@H]([C@@H](Br)c2ccc(Br)c(C)c2Br)C1 2138852766 OPNDCVMKXYIKLD-JRPNMDOOSA-N 455.028 6.019 50 10 JKGE BrC[C@@]12CCC[C@@H]1N(Cc1cc(Br)ccc1Br)CCC2 2175152588 OPCUYOKEEROGJL-HOTGVXAUSA-N 466.055 5.741 50 10 JKGE Cc1cc(Br)c(C)c([C@H](Br)CC23CCC(CC2)C3)c1Br 2201069438 CSNUFBWAHIRVIM-KDJCLPLCSA-N 465.067 7.235 50 10 JKGE Cc1cc(Br)c(C)c([C@@H](Br)[C@@H]2CC23CC(F)(F)C3)c1Br 2201071449 FMSWBNNJCMOIEI-ZANVPECISA-N 472.993 6.700 50 10 JKGE COc1c(Br)cc(C)cc1[C@H](Br)c1cccc(Br)c1Cl 2203830719 VLSPKLDQKIOEMR-CYBMUJFWSA-N 483.425 6.666 50 10 JKGE C[C@@H](CBr)N(Cc1ccccc1)Cc1c(Br)sc2ccccc12 2210217268 RZWDPFNQSBUPON-AWEZNQCLSA-N 453.243 6.449 50 10 JKGE CCOCc1cc(Br)c([C@H](Br)c2cscc2Br)s1 2217986989 DIGNMSZFPGXCBK-LLVKDONJSA-N 475.065 6.355 50 10 JKGE Fc1cc(Br)c(Br)cc1[C@H](Br)C1(C(F)(F)F)CC1 2218606459 RFCTZDOCMRUWCR-VIFPVBQESA-N 454.881 6.129 50 10 JKGE Cc1nn(C)c([C@H](Br)c2sc(Br)c(C)c2C)c1Br 2218788879 RLGJUQLMVPQIOY-VIFPVBQESA-N 457.029 5.416 50 10 JKGE CC(F)(F)[C@@H]1C[C@@H]1[C@@H](Br)c1c(Br)cc(Cl)c(Cl)c1Cl 2224304087 FOXYIMXPMKVFJW-OBXARNEKSA-N 457.367 7.137 50 10 JKGE CCOCc1cc(Br)c([C@@H](Cl)c2ccccc2OCc2ccccc2)s1 2224769397 AWNHQOICXVPZOF-FQEVSTJZSA-N 451.813 6.954 50 10 JKGE CC[C@@]1([C@H](Br)c2c(Br)cc(C)c(Br)c2C)CCCO1 2227361320 BQNNFNCYWFTAKB-CABCVRRESA-N 455.028 6.224 50 10 JKGE COc1cc(Br)c([C@@H](Br)c2sc(C)cc2Br)cc1C 2229318313 SQPQZDSZBMCNRJ-CYBMUJFWSA-N 469.036 6.383 50 10 JKGE Cc1sc([C@@H](Cl)c2cc(Br)c(Br)cc2F)c(Br)c1C 2229325909 OSQVKUGOCPXFQP-LBPRGKRZSA-N 491.445 7.120 50 10 JKGE Clc1cc(Br)c([C@@H](Br)C[C@@H]2CCC23CCC3)c(Cl)c1Cl 2232509885 FMQMAMXPHNFNAH-IUCAKERBSA-N 461.452 7.816 50 10 JKGE CCOC1CC(C[C@H](Br)c2c(Br)cc(Cl)c(Cl)c2Cl)C1 2232514263 ULGKXNVRQZQREM-HACHORDNSA-N 465.440 7.051 50 10 JKGE Cc1c(Br)ccc([C@H](Br)[C@@H]2OC[C@@H]3CCCC[C@H]32)c1Br 2233185194 DSVFLUIJPMNLKN-KTQGLZRJSA-N 467.039 6.161 50 10 JKGE BrC[C@]12CCCC[C@@H]1CN(Cc1cc(Br)ccc1Br)C2 2239186998 ADZIHOUZJAKKQJ-CJNGLKHVSA-N 466.055 5.599 50 10 JKGE COc1ccc([C@@H](Br)c2ccc(Br)s2)cc1I 2248886517 GMKNAPFSDXEUJS-GFCCVEGCSA-N 487.982 5.608 50 10 JKGE O=C(c1cc(Br)c(F)cc1Cl)N(Cc1ccccc1)[C@@H](CBr)C1CC1 2258088026 MZJZYGDEQFSMPQ-SFHVURJKSA-N 489.610 6.058 50 10 JKGE COc1cc(C)c(Cl)cc1[C@@H](Br)c1cc(Br)sc1Br 2277988514 BCNRRIJAQOSFGQ-GFCCVEGCSA-N 489.454 6.728 50 10 JKGE CCOc1cc(C=C(C#N)C(=O)NCc2ccccc2)cc(Cl)c1OCc1ccc(C(=O)O)cc1 2293509167 CDFVQDPXAUASER-UHFFFAOYSA-N 490.943 5.239 50 10 JKGE Fc1cc([C@H](Br)Cc2cc(Br)cc(Br)c2)cc(F)c1F 2295345688 PCGZLTOPELJPIR-LLVKDONJSA-N 472.924 6.308 50 10 JKGE Cc1cc([N+](=O)[O-])ccc1NC=C(C#N)c1nc(-c2cc3cc([N+](=O)[O-])ccc3oc2=O)cs1 2295894300 ATHRGALHMOWCQM-UHFFFAOYSA-N 475.442 5.018 50 10 JKGE COc1ccc(-c2csc(C(C#N)=CNc3ccc(C)cc3Br)n2)cc1OC 2295948525 DFKGWVWDQOZIAT-UHFFFAOYSA-N 456.365 5.875 50 10 JKGE CC(C)OC(=O)c1ccc(NC=C(C#N)c2nc(-c3cc4cc(Cl)ccc4oc3=O)cs2)cc1 2296798421 RLFIDXQVQXVWTA-UHFFFAOYSA-N 491.956 6.112 50 10 JKGE COC(=O)c1ccccc1NC(=O)C(C#N)=Cc1ccc2noc(-c3ccc(Cl)cc3)c2c1 2296835659 JVRRBBRYITXIBA-UHFFFAOYSA-N 457.873 5.480 50 10 JKGE CCc1cccc(C)c1NC(SCc1ccc(Cl)cc1)=C(C#N)S(=O)(=O)c1ccccc1 2297350027 NOVWUBLVOCHAAB-UHFFFAOYSA-N 483.058 6.723 50 10 JKGE CCOC(=O)C(C#N)=Cc1cc(Br)c(OC(=O)C23CC4CC(CC(C4)C2)C3)c(OC)c1 2297554353 FMVFWJVWDMHLRN-UHFFFAOYSA-N 488.378 5.050 50 10 JKGE Brc1cc(OCc2ccccc2)ccc1[C@H](Br)[C@@H]1C[C@@H]2C[C@H]2CO1 2299488383 GBKYKWAYQHOUHH-SLUIBLPYSA-N 452.186 5.889 50 10 JKGE C[C@@H]1C[C@@H]1[C@@H]1C[C@@H]1[C@H](Br)c1cc(Br)ccc1OCc1ccccc1 2299530187 JVPKLGUTMDQSGI-BEACGEKWSA-N 450.214 6.756 50 10 JKGE Brc1ccc(OCc2ccccc2)c([C@H](Br)CC[C@@H]2CCCO2)c1 2299534506 DQZUUPREFNRWMP-PKOBYXMFSA-N 454.202 6.423 50 10 JKGE BrC[C@@H](CSc1cc(I)ccc1Br)CC1CC1 2300791834 DQBKGMVZTLTCKR-JTQLQIEISA-N 490.042 5.957 50 10 JKGE Fc1ccc([C@H](Br)c2sc(Cl)cc2I)c(Cl)c1 2300952976 CXBRYOJDWDJLMS-JTQLQIEISA-N 465.940 6.283 50 10 JKGE CCN(C[C@](C)(CI)OC[C@H]1CCC(C)(C)C1)C(=O)OC(C)(C)C 2302677273 CNNDOSUNNPUBNR-KXBFYZLASA-N 453.405 5.280 50 10 JKGE C=CCc1cc(C=C(C#N)C(=O)N2CCN(c3ccccc3)CC2)cc(OC)c1OCc1ccccc1 2313565262 AMYOFBLJHXZBGV-UHFFFAOYSA-N 493.607 5.258 50 10 JKGE Cc1cccc(Cn2cc(C=C(C#N)C(=O)N3CCN(c4ccccc4)CC3)c3ccccc32)c1 2313566863 CBONGNSVZIZKBK-UHFFFAOYSA-N 460.581 5.254 50 10 JKGE COc1cc(C=C(C#N)C(=O)Nc2cccc(Cl)c2Cl)ccc1OCc1ccc(Cl)cc1 2313571314 SBSJNCBCUAPOOK-UHFFFAOYSA-N 487.770 6.780 50 10 JKGE N#CC(=Cc1cc(Cl)ccc1OCc1ccccc1F)C(=O)Nc1cccc([N+](=O)[O-])c1 2313670741 SPWICIXFEDMFCN-UHFFFAOYSA-N 451.841 5.512 50 10 JKGE CCOc1cc(C=C(C#N)C(=O)Nc2ccc(OC)cc2)ccc1OCc1ccc(Cl)cc1 2313681117 KCRFGXTUJYJWAB-UHFFFAOYSA-N 462.933 5.872 50 10 JKGE Fc1cc(Cl)c(Br)c(Cl)c1[C@@H](Cl)c1nscc1Br 2313823218 BZBOADMKAYIKGS-SECBINFHSA-N 454.373 6.442 50 10 JKGE Brc1cc(OCc2ccccc2)ccc1[C@H](Br)[C@H]1CCCC12CCC2 2314442268 BEIHTMINUGQKNK-CTNGQTDRSA-N 464.241 7.435 50 10 JKGE Cc1cccc(Oc2nc3c(C)cccn3c(=O)c2C=C(C#N)C(=O)Nc2ccc(Cl)cc2)c1 2314532275 INBSMANGAAODTM-UHFFFAOYSA-N 470.916 5.303 50 10 JKGE CCOC(=O)c1c(NC(=O)C(C#N)=Cc2ccc(-c3ccccc3)o2)sc2c1CC[C@H](CC)C2 2314572125 TWTNALLRISJBHJ-KRWDZBQOSA-N 474.582 6.245 50 10 JKGE CCCc1sc(Br)cc1[C@@H](Br)c1cn(C)nc1Br 2316187985 UFIGLGMRMVAUPW-LLVKDONJSA-N 457.029 5.443 50 10 JKGE CCOC(=O)Oc1ccc(C(O)=C(C#N)c2nc(-c3ccc(-c4ccccc4)cc3)cs2)cc1 2331231713 SAXZRFGKKIFSAW-UHFFFAOYSA-N 468.534 6.962 50 10 JKGE N#CC(=C(O)C=Cc1ccc(OCc2ccccc2)cc1)c1nc(-c2ccc3ccccc3c2)cs1 2331238783 VNSIENWEPZUZAR-UHFFFAOYSA-N 486.596 8.048 50 10 JKGE COc1cc(C=CC(O)=C(C#N)c2nc(-c3ccc(C(C)C)cc3)cs2)ccc1OC(C)=O 2331340833 UHBHIQQEDQYTNG-UHFFFAOYSA-N 460.555 6.373 50 10 JKGE CCOC(=O)Oc1ccc(C(O)=C(C#N)c2nc(-c3cc(Cl)cc(Cl)c3OC)cs2)cc1 2331362393 FFNCFWYWEXRQBP-UHFFFAOYSA-N 491.352 6.611 50 10 JKGE Fc1cc(Br)c(Br)cc1[C@H](Br)[C@H]1C[C@@H]2O[C@H]1[C@H]1C[C@@H]21 2333605634 SSWZHDVUCDIUNG-AHSHPHNPSA-N 454.959 5.210 50 10 JKGE Brc1ccc(OCc2ccccc2)c([C@H](Br)c2cc3c(s2)CCCC3)c1 2336048578 VOAIQKPNDPFPBZ-QFIPXVFZSA-N 492.276 7.453 50 10 JKGE CO[C@H]1C[C@@H](C[C@@H](Br)c2c(Cl)cc(Br)c(F)c2Br)C1 2337084243 JFOUIZZZBBYYKL-GJMOJQLCSA-N 479.409 6.255 50 10 JKGE CCn1nc(C)c(CBr)c1Oc1cc(Br)cc(Br)c1 2338865993 UHWJHJMRLZCHRL-UHFFFAOYSA-N 452.972 5.424 50 10 JKGE Clc1cc(Cl)cc(CC[C@H](Br)c2cccc(OCc3ccccc3)c2)c1 2341185153 ZSRDJXZZWBBWDG-QFIPXVFZSA-N 450.203 7.641 50 10 JKGE Clc1ccc(I)cc1CO[C@@H]1CCCCCC[C@H]1Br 2352251967 NVEFRLROGCHDDT-UKRRQHHQSA-N 457.577 5.948 50 10 JKGE Cc1cc(Br)c(C(C)C)cc1[C@H](Cl)c1cc(I)sn1 2352793428 GVRKAABXDOEKHN-AWEZNQCLSA-N 470.601 6.270 50 10 JKGE Fc1cc(Br)c(F)c(Br)c1[C@@H](Br)[C@H]1CC[C@@H]2C[C@H]1CO2 2359749284 GCWMXTFZRHYKNG-MEUQOTJWSA-N 474.965 5.741 50 10 JKGE COc1c(F)c(F)cc([C@H](Br)c2cc(Br)sc2Br)c1F 2361159110 IITXWTTUPDOYGM-QMMMGPOBSA-N 494.952 6.183 50 10 JKGE Fc1c(Br)cc(Cl)c([C@H](Cl)[C@@H]2C(F)(F)C23CCC3)c1Br 2362238347 VGZCCZBPBKYYHB-ONGXEEELSA-N 452.923 6.719 50 10 JKGE Clc1cc(I)c([C@H](Br)CC23CC4CC(CC(C4)C2)C3)s1 2363892667 WKINLLPJXOQINO-IETLTJBPSA-N 485.656 7.049 50 10 JKGE Cc1cc(Br)c(F)c(Br)c1[C@@H](Br)C[C@H]1COC(C)(C)C1 2365191404 NUMDQSXWKFEPTO-ZJUUUORDSA-N 473.018 6.300 50 10 JKGE CCn1nc(C)c(CBr)c1OCc1c(Br)cccc1Br 2366225582 BCWYGONWEKBVFA-UHFFFAOYSA-N 466.999 5.210 50 10 JKGE CC1CCC([C@@H](CCl)NCc2ccc(I)c(Br)c2)CC1 2379755836 RLWRXLPWKXTVCD-IJGSQOGDSA-N 470.620 5.577 50 10 JKGE CCCCCCOc1ccc(Br)cc1C(=O)NNC(=O)c1ccc(-c2ccccc2)cc1 14648251 LLFRWDHCFCHYMN-UHFFFAOYSA-N 495.417 6.150 50 10 JKGE Cc1cc(Oc2nc3c(C)cccn3c(=O)c2/C=C(/C#N)C(=O)NC2CCCCC2)ccc1Cl 34898110 BTLMTFWLEYSTLG-JXAWBTAJSA-N 476.964 5.113 50 10 JKGE COc1cc(/C=C(/C#N)S(=O)(=O)c2ccc(Cl)cc2)ccc1OCCc1ccccc1 35419114 DKLIUXXZNFJLSL-JCMHNJIXSA-N 453.947 5.308 50 10 JKGE C=CCOc1ccc(C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@@H]3c2ccc(OCCC)cc2)cc1 38650669 BDDNNBQULUQSET-HHHXNRCGSA-N 482.536 5.478 50 10 JKGE COc1ccc(OC)c([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4ccc(C(C)(C)C)cc4)ccc32)c1 38659703 UVIUESFGZQRKTF-AREMUKBSSA-N 484.552 5.439 50 10 JKGE Cc1ccc(C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@@H]3c2cccc(OCCC(C)C)c2)cc1 38684621 NXJOGLATPNTNML-HHHXNRCGSA-N 468.553 5.857 50 10 JKGE Cc1ccc(C(=O)N/N=C2\CCCc3oc(C(=O)Nc4ccccc4C(F)(F)F)c(C)c32)cc1 40804566 GURQICXZNMTFNF-NDZAJKAJSA-N 469.463 5.638 50 10 JKGE Cc1c(C(=O)Nc2ccc(F)cc2)oc2c1/C(=N/NC(=O)c1ccc(Br)cc1)CCC2 40811805 WNHLDEMKBKIADG-OVVQPSECSA-N 484.325 5.212 50 10 JKGE Cc1ccc(C)c(NC(=O)/C(C#N)=C\c2ccccc2OCc2ccc(Cl)cc2Cl)c1 59198800 JQQJOZBMBGZSJX-NDENLUEZSA-N 451.353 6.735 50 10 JKGE C=CCc1cc(/C=N/NC(=O)c2cc3ccccc3o2)cc(OCC)c1OCc1cccc(F)c1 59304514 MOHCMOGRWKEYPO-OCSSWDANSA-N 472.516 6.042 50 10 JKGE C/C(=N/NC(=O)CSc1ccc(Cl)cc1)c1cccc(NC(=O)c2cccc(Cl)c2)c1 59383038 YZTLDSTZVSHIEV-DICXZTSXSA-N 472.397 5.878 50 10 JKGE Cc1cccc(C)c1NC(=O)CSc1ccc(/C=N/NC(=O)c2ccc(Cl)cc2Cl)o1 59507191 MCEDWUKCKNPFKV-OPEKNORGSA-N 476.385 5.698 50 10 JKGE BrCCCCCCCCCOc1c(Br)cccc1Br 97798084 PHYPZHZWLIBPDO-UHFFFAOYSA-N 457.044 6.716 50 10 JKGE CC(C)c1ccc(N2C(=O)[C@@H](Cc3ccc(F)cc3)S/C2=C(/C#N)C(=O)Nc2ccccc2)cc1 101244492 OBGRWJYZXCJEBV-IEQIIXMPSA-N 485.584 6.014 50 10 JKGE CCOC(=O)c1sc(N/C=C(\C#N)c2nc(-c3ccc(C)cc3)cs2)c(C(=O)OCC)c1C 102924534 RQWNMCYWXRZPLZ-SFQUDFHCSA-N 481.599 5.818 50 10 JKGE Cc1ccccc1N/C(SCc1cccc(Cl)c1)=C(\C#N)S(=O)(=O)c1ccccc1 104688951 YVVHAKBRSMQWOA-FCQUAONHSA-N 455.004 6.160 50 10 JKGE COc1ccc(Br)cc1[C@@H](Br)c1ccc(Br)cc1F 109834854 NKVYOCGTUUGNQW-AWEZNQCLSA-N 452.943 5.844 50 10 JKGE CCOc1ccc([C@H](Br)c2ccc(Br)cc2C)c(Br)c1 123749167 HUMGBWRPAYSHJZ-MRXNPFEDSA-N 463.007 6.403 50 10 JKGE CCOc1ccc(NC(=O)c2cc(Br)c(Br)s2)cc1CCl 137799833 JXOGOJZQWOZHAI-UHFFFAOYSA-N 453.583 5.663 50 10 JKGE CCCCC[C@@H](/C=C\[C@H]1[C@H](OC(=O)c2ccccc2)C[C@@H]2OC(=O)C[C@@H]21)O[Si](C)(C)C(C)(C)C 205879489 HCFDVFAZKOSMJZ-PFZJGKRESA-N 486.725 6.691 50 10 JKGE CCCCOc1ccc(/C=C(/C#N)C(=O)Nc2nc(-c3ccc(OCCCC)cc3)cs2)cc1 206700559 ZHPNSMOESDOJOB-XLNRJJMWSA-N 475.614 6.714 50 10 JKGE COC(=O)c1c(NC(=O)/C(C#N)=C\c2ccc(OCc3ccccc3)cc2)sc2c1CCCC2 209405150 YZKGVLGEQHTLQR-HKWRFOASSA-N 472.566 5.538 50 10 JKGE CC[C@@H](C)N1C(=O)C(C#N)=C(C)/C(=C/c2cn(-c3ccccc3)nc2-c2ccc(C)cc2)C1=O 214255528 YKDWGSPCCGZFFI-YPFLROGLSA-N 450.542 5.239 50 10 JKGE Clc1ccc(C[C@@H](Br)c2cc(Br)cc3c2OCC3)cc1Cl 228444900 PSQLKBHEUCBMBM-CYBMUJFWSA-N 450.985 6.370 50 10 JKGE CCOc1ccc([C@@H](Cl)c2ccc(I)c(Cl)c2)c(Br)c1 232344627 YLUNWLYNIVGVSN-HNNXBMFYSA-N 485.974 6.434 50 10 JKGE Cc1cccc([C@@H](Br)c2ccc(F)c(Br)c2)c1I 235928534 BRZOCHPCZGQPFJ-ZDUSSCGKSA-N 483.944 5.986 50 10 JKGE FC(F)(F)COCC(CBr)(CBr)c1ccccc1Br 236129679 GVSAQJSEOPFBTJ-UHFFFAOYSA-N 468.933 5.056 50 10 JKGE O=C(COc1c(Cl)cc(Cl)cc1Cl)NN=Cc1cn(Cc2ccccc2)c2ccccc12 252641510 ZDSMPVZQHOVFNQ-UHFFFAOYSA-N 486.786 6.179 50 10 JKGE CCOc1ccc2ccccc2c1C=NNC(=O)COc1ccc(C(C)(C)CC(C)(C)C)cc1 254847923 BPUMPYKBUDYSIH-UHFFFAOYSA-N 460.618 6.481 50 10 JKGE Cc1c(C(=O)Nc2ccc(N=Nc3ccccc3)cc2)oc2c1/C(=N/NC(=O)c1ccccc1)CCC2 256018181 DLLBBFBQVOCLDP-SZIQQBSTSA-N 491.551 6.726 50 10 JKGE Cc1cc([C@H](Br)c2cc3c(cc2Br)OCC3)sc1Br 308439203 VJMDMSFTFOLVQQ-CYBMUJFWSA-N 467.020 6.001 50 10 JKGE Fc1cc([C@H](Cl)c2cc(I)cc3c2OCC3)ccc1Br 312926533 XGBHUFJUPNSOTO-AWEZNQCLSA-N 467.503 5.456 50 10 JKGE Cc1cc(F)c([C@H](Br)c2ccc(I)c(Cl)c2)cc1C 395797853 YHTLMVMWOURJBL-OAHLLOKOSA-N 453.520 6.185 50 10 JKGE Fc1cc(Br)c([C@H](Cl)c2cc(Br)ccc2Br)c(F)c1F 398470660 PCBQAFHNTDBDPC-LLVKDONJSA-N 493.342 6.720 50 10 JKGE CC(C)(C)OC(=O)N1C[C@@H](c2ccccc2CO[Si](C)(C)C(C)(C)C)Cc2ccccc21 616669170 LZFLJSCRWCQCHD-QFIPXVFZSA-N 453.699 7.290 50 10 JKGE Cc1cc(C)c([C@@H](Br)c2cn(C)c(Br)n2)c(C)c1Br 698452128 WXYJALWWGOQNJH-ZDUSSCGKSA-N 451.000 5.355 50 10 JKGE CC[C@@H](C[C@@H](Br)c1cc(Br)c(C)cc1Br)C(C)(C)C 711129310 FSKHUUHRIFSFMB-XHDPSFHLSA-N 455.072 7.418 50 10 JKGE CCCCCOc1ccc(NC(=O)C(=O)NN=Cc2ccccc2OCc2ccccc2Cl)cc1 1084092926 HEWWZPCMDFSLPD-UHFFFAOYSA-N 493.991 5.577 50 10 JKGE CCc1ccc(OCC(=O)NN=C(C)C(c2ccccc2)c2ccccc2)c(Br)c1 1084390806 OEQOFTCBOGUDHA-UHFFFAOYSA-N 465.391 5.715 50 10 JKGE Cc1c(C=NNC(=O)c2ccccc2Br)c2ccccc2n1Cc1ccc(F)cc1 1084429664 NWZKNTMDBGGIRZ-UHFFFAOYSA-N 464.338 5.664 50 10 JKGE Cc1ccc(C(C)C)c(OC(=O)c2oc3c(c2C)C(=NNC(=O)c2ccc([N+](=O)[O-])cc2)CCC3)c1 1772745367 XMFSFJMFEVLMHX-UHFFFAOYSA-N 489.528 5.618 50 10 JKGE Cc1c(C(=O)N2c3ccccc3C[C@@H]2C)oc2c1C(=NNC(=O)c1ccc(Cl)cc1Cl)CCC2 1772747116 DZVRGZXVCFULQC-AWEZNQCLSA-N 496.394 5.957 50 10 JKGE COc1ccc2ccccc2c1C=NNC(=O)COc1cc(C)c(Br)cc1C(C)C 1772754460 WFWZULXFFKXIDJ-UHFFFAOYSA-N 469.379 5.572 50 10 JKGE N#CC1=C(N)Oc2c(c(-c3ccccc3)nn2Cc2ccc(F)cc2)[C@@H]1c1ccc(Cl)cc1 1865683900 QAMGMMZUKSDTEH-JOCHJYFZSA-N 456.908 5.609 50 10 JKGE CCCCCCOc1ccc([C@H]2C(C#N)=C(N)Oc3c2c(C)nn3-c2ccc(Cl)cc2)cc1OC 1865696483 NUBJOXAFTNHADX-VWLOTQADSA-N 493.007 6.020 50 10 JKGE COc1ccccc1[C@H]1C(C#N)=C(N)Oc2c1c(-c1ccccc1)nn2Cc1c(F)cccc1Cl 1865709911 JXCPQKOHJOFASE-QHCPKHFHSA-N 486.934 5.618 50 10 JKGE COc1ccc(-c2nn(-c3cccc(Cl)c3)c3c2[C@H](c2cccc(F)c2)C(C#N)=C(N)O3)cc1 1865711446 YTCZAUWKCHPREG-JOCHJYFZSA-N 472.907 5.559 50 10 JKGE Cc1nc(-c2ccc(Cl)c(Cl)c2)ccc1C(=O)N/N=C\c1ccc(Cl)cc1Cl 1865762476 IMGVCGGWPVVHLN-MRUKODCESA-N 453.156 6.435 50 10 JKGE COc1ccc(OC)c(/C=C2\Oc3c(ccc(OCc4cccc(CCl)c4)c3C)C2=O)c1 1871437142 JMRMOHVNXCRIAO-CFRMEGHHSA-N 450.918 5.946 50 10 JKGE CCc1cccc(CC)c1N1C[C@@H](/C(O)=C(\C#N)c2nc(-c3ccccc3Cl)cs2)CC1=O 1872746425 HGQSPGLYVAAZDK-IHCLVQKISA-N 478.017 6.434 50 10 JKGE COc1cc(/C=C/C(O)=C(\C#N)c2nc(-c3ccc(Br)cc3)cs2)ccc1OC(C)=O 1872746776 XQEUDHLBABDANW-CQTCFKAPSA-N 497.370 6.013 50 10 JKGE CCOc1ccc(-c2csc(/C(C#N)=C(\O)c3c(Cl)ccc(Cl)c3Cl)n2)cc1 1872747658 NPQADMSMSQTDCS-UYRXBGFRSA-N 451.762 7.119 50 10 JKGE N#C/C(=C(/O)CCCOc1ccc2ccccc2c1)c1nc(-c2ccc3c(c2)OCCO3)cs1 1872750588 HMTSQPGWXBBIAJ-GYHWCHFESA-N 470.550 6.386 50 10 JKGE COc1cc(-c2csc(/C(C#N)=C(O)/C=C/c3ccc(OC)c(OC)c3)n2)c(OC)cc1Cl 1872754692 DSWKXTBXIIHUQB-BCGFRQHJSA-N 484.961 6.004 50 10 JKGE CCCOc1c(/C=C(\C#N)c2nc(-c3cc(C(C)(C)C)ccc3OC)cs2)cccc1OC 1872792984 BMGKDFYNEQKISQ-XMHGGMMESA-N 462.615 6.978 50 10 JKGE Clc1cc(I)c([C@H](Cl)c2ccc(I)cc2)s1 1900919111 KPNGFDIURUXWIM-SNVBAGLBSA-N 494.950 5.939 50 10 JKGE Cl[C@H](c1c(Br)sc(Br)c1Br)[C@@H]1[C@@H]2CCCO[C@@H]21 1907583944 XCJVAFOMCAXZDO-FVTXQLJISA-N 465.432 5.741 50 10 JKGE COc1ccc(Br)cc1C(=O)N(Cc1ccccc1)[C@@H](C)CCBr 1915083918 WXWZZUSPNKDYFP-AWEZNQCLSA-N 455.190 5.274 50 10 JKGE CC(C)(CBr)N(Cc1ccccc1)C(=O)c1csc(I)c1 1915767395 SWPYWBBJWGQQKH-UHFFFAOYSA-N 478.193 5.169 50 10 JKGE CC(C)(C)C1CCC([C@H](Cl)c2c(Br)sc(Br)c2Cl)CC1 1923050216 RLSFDBXEAVZEJZ-AMUVOQDHSA-N 463.106 8.059 50 10 JKGE CCC[C@H](C(C)C)[C@H](Br)c1c(Br)sc(Br)c1Cl 1923066201 MUYCDLVRXOYUDP-APPZFPTMSA-N 467.492 7.435 50 10 JKGE C[C@@H](c1ccncc1Br)[C@@H](Br)c1c(F)cccc1Br 1924042237 ZHTLLSLMAXAMKW-RMLUDKJBSA-N 451.959 5.985 50 10 JKGE FC(F)(C1CC1)[C@H](Cl)c1c(Br)sc(Br)c1Br 1924568209 CYBBLTOODJTJHF-ZCFIWIBFSA-N 459.375 6.361 50 10 JKGE FC(F)[C@@H](Br)c1c(Br)sc(Br)c1Br 1924575993 IJQCYRZGYVWTMD-VKHMYHEASA-N 463.761 5.737 50 10 JKGE Brc1sc(Br)c([C@H](Br)c2ccco2)c1Br 1924576072 JFTKKAIZWGHOSB-ZCFIWIBFSA-N 479.813 6.113 50 10 JKGE C[C@@H]1C[C@@H]([C@@H](Br)c2c(Br)sc(Br)c2Br)CO1 1924580389 RJQLMZVZSINGFO-WYDQCIBASA-N 497.872 5.897 50 10 JKGE Clc1cc([C@@H](Br)c2csnc2Br)c(Cl)c(Cl)c1Cl 1925264167 RYVVYYCQASLKSJ-ZCFIWIBFSA-N 470.828 7.004 50 10 JKGE Clc1sc(Br)c(Cl)c1[C@@H](Br)C12CC3CC(CC(C3)C1)C2 1925598321 IQHRFGZVYAKDHB-HLJMMJMFSA-N 459.074 7.470 50 10 JKGE C[C@@H](CCBr)N(Cc1ccccc1)C(=O)c1cc(Br)c(Cl)s1 1961681456 XTVKBAWQBJJDNA-NSHDSACASA-N 465.638 5.980 50 10 JKGE FC(F)(F)c1csc([C@@H](Br)C2CC(Br)C2)c1Br 2020149020 WTBWHKWUUCLDQR-QIYZCZBYSA-N 456.947 6.139 50 10 JKGE BrCc1cc(Br)ccc1N1[C@H]2CCC[C@H]1CN(Cc1ccccc1)C2 2061944536 KTDYBKSHXOOCAO-PMACEKPBSA-N 464.245 5.587 50 10 JKGE CC(C)(C)OC(=O)N1CCC(CI)(OC[C@@H]2C[C@@H]2C2CCCC2)CC1 2079996324 SHMYQDLJICYTON-DLBZAZTESA-N 463.400 5.034 50 10 JKGE Clc1ccc(C[C@@H](CBr)c2cccc(Br)c2)c(Br)c1 2088514691 NNJGUOYIOVCZCY-LBPRGKRZSA-N 467.426 6.586 50 10 JKGE C[C@H]1CCO[C@H]1CCOc1c(Br)cc(CBr)cc1Br 2101105625 VEKKLVHCAUKUOF-ZANVPECISA-N 457.000 5.300 50 10 JKGE Cc1cc(Br)c([C@H](Br)[C@@H]2CC[C@H]3[C@@H]2C3(F)F)cc1Br 2102122005 YARXPGWOJVNNDG-SEBFSPHVSA-N 458.966 6.247 50 10 JKGE C[C@@H]1CN(Cc2cc(Cl)ccc2I)CC[C@H]1CCBr 2115843142 KOURWVPUYGFEEY-VXGBXAGGSA-N 456.593 5.188 50 10 JKGE FC(F)(F)C1([C@H](Br)c2sc(Br)cc2Br)CCCCC1 2116585065 ZRQPGCDFRQXIAN-SNVBAGLBSA-N 485.001 7.222 50 10 JKGE FC(F)(F)[C@H]1C[C@@H]1COc1c(Br)cc(CBr)cc1Br 2128749116 MCEPINOEPBRURC-SFYZADRCSA-N 466.917 5.684 50 10 JKGE Cc1cc(Br)c(C)c([C@@H](Br)C23CCC(CC2)O3)c1Br 2136382543 UAKGOLQLMGWTAI-CIQACWJJSA-N 453.012 5.976 50 10 JKGE Cn1cc([C@H](Br)c2c(Br)cc(F)c(Cl)c2F)c(Br)n1 2136966011 FTIXWHHCTLXLPA-QMMMGPOBSA-N 479.344 5.361 50 10 JKGE Cc1cc(Cl)c(Br)cc1[C@H](Br)c1ccc(F)cc1Br 2137641387 CTEGWQYOVASMFD-CQSZACIVSA-N 471.389 6.797 50 10 JKGE C[C@H]1CCC[C@@](CBr)(Cc2ccc(I)c(Cl)c2)CC1 2142941269 USNJPBZLPAVYRX-LRDDRELGSA-N 455.605 6.469 50 10 JKGE Clc1ccc(C[C@H](CBr)Cc2c(Br)cccc2Br)cc1 2150494805 JMTSKCYOULQGLA-LBPRGKRZSA-N 481.453 6.661 50 10 JKGE CC(C)(C)C[C@H](CCl)CNC(=O)c1cc(I)ccc1Br 2156326061 JTFKKMRNQIDIMQ-SNVBAGLBSA-N 472.592 5.075 50 10 JKGE CN(C(=O)c1c(Br)cccc1Br)[C@@H]1CCCCC[C@@H]1Br 2172543332 KFIVGBBUEHYHNW-GXFFZTMASA-N 468.027 5.380 50 10 JKGE CC[C@H](N)Cc1cc(Br)c(OC[C@H]2C[C@@H](Br)C2)c(Br)c1 2196937989 MWHOTSWGTBZLNX-TUAOUCFPSA-N 470.043 5.044 50 10 JKGE Cc1cc(Br)c(C)c([C@H](Br)C2[C@@H]3[C@H]4CC[C@@H](C4)[C@@H]23)c1Br 2201073141 LVWHBOXWPIHJEB-KVDBXCQRSA-N 463.051 6.557 50 10 JKGE Cc1cc(Br)c(C)c([C@H](Br)[C@H]2CCCC23CCC3)c1Br 2201079123 QTPOCCYYOYTOGB-MLGOLLRUSA-N 465.067 7.235 50 10 JKGE COc1c(Br)cc(C)cc1[C@@H](Br)c1ccc(Br)c(F)c1 2203829211 IUEKCXBJTQHOFR-AWEZNQCLSA-N 466.970 6.152 50 10 JKGE Cc1cc(Br)c([C@@H](Br)c2cc(Cl)c(F)cc2Cl)cc1Cl 2204287935 RZEGVGIFTFAXTK-CQSZACIVSA-N 461.383 7.341 50 10 JKGE C[C@H](Br)CN(Cc1ccccc1)C(=O)Cc1ccc(Br)cc1Cl 2211872844 VUYYVXHJYMXJNL-ZDUSSCGKSA-N 459.609 5.457 50 10 JKGE Cc1c(Br)sc([C@H](Cl)c2scc(Br)c2Br)c1C 2213618650 AQDNFPWPXRUQGP-QMMMGPOBSA-N 479.484 7.042 50 10 JKGE Cc1ccc(Br)cc1[C@@H](Br)c1c(C)sc(Br)c1C 2218800209 IYABOIOFOTVHNK-CYBMUJFWSA-N 453.037 6.683 50 10 JKGE Brc1cc([C@H](Br)c2ccc3c(c2Br)CCO3)ns1 2222191427 VHSXOSYEAIRBEO-GFCCVEGCSA-N 453.981 5.087 50 10 JKGE Cl[C@@H]1C[C@H](c2sc(Br)c(Br)c2Br)CC2(CCC2)C1 2222451304 YZLPEPVQIGKRRY-JGVFFNPUSA-N 477.487 7.081 50 10 JKGE Fc1cc(Br)c(Br)cc1[C@@H](Br)C1CC(C(F)F)C1 2224150146 ZBBHXOSMUBZZLM-HPPGLBNUSA-N 450.918 6.078 50 10 JKGE CCOCc1cc(Br)c([C@@H](Cl)c2cc(Br)c(Cl)s2)s1 2224792521 RDOVJVPVVZLMNR-JTQLQIEISA-N 465.059 6.853 50 10 JKGE FC(F)(F)c1cc(CBr)ccc1OC[C@@H]1CC1(Br)Br 2224800388 HDNVLNFKLRCCTQ-QMMMGPOBSA-N 466.917 5.485 50 10 JKGE Fc1cc(Br)c(Br)cc1[C@@H](Cl)c1ccc(Cl)c(Br)c1 2225633488 JZPZBKXZMJBPGP-ZDUSSCGKSA-N 491.807 7.095 50 10 JKGE C[C@@H]1C[C@H](n2c(CCl)nc3cc(Br)c(Br)cc32)CN1Cc1ccccc1 2225704911 QXCWUMZCOOHPGX-HIFRSBDPSA-N 497.662 6.136 50 10 JKGE CC1([C@H](Br)c2cc(Br)c(Br)s2)CC2(CC(F)(F)C2)C1 2230657155 YDWNAPQAEDRQCY-SECBINFHSA-N 479.022 6.925 50 10 JKGE Cc1c(F)ccc([C@@H](Cl)c2ccc(I)c(Br)c2)c1F 2231078003 BTMJLONLKKMLAN-ZDUSSCGKSA-N 457.483 5.969 50 10 JKGE COc1ccc([C@H](Br)c2cc(C)ccc2I)c(Cl)c1 2232222440 IUVNQGLQXDJHPV-HNNXBMFYSA-N 451.529 5.746 50 10 JKGE CC1(C)CN(Cc2ccccc2)C[C@H]1n1c(CCl)nc2c(F)cc(Br)cc21 2232916486 RAKWTNVECFMYCU-GOSISDBHSA-N 450.783 5.760 50 10 JKGE Cc1cc(Br)c(F)c([C@@H](Cl)c2cc(Br)c(Br)cc2F)c1 2233985037 AZOUBPIKTMYONL-ZDUSSCGKSA-N 489.379 6.889 50 10 JKGE Cc1cc(Br)c([C@H](Br)[C@@H]2CCCOC2(C)C)c(C)c1Br 2235608302 JBBSWHURPZADGL-XHDPSFHLSA-N 469.055 6.470 50 10 JKGE Brc1cc2sc([C@@H](Br)c3cccc(OCc4ccccc4)c3)cc2s1 2263630285 KTRLVSCVAUBSDD-FQEVSTJZSA-N 494.273 7.789 50 10 JKGE Cc1c(Br)sc([C@@H](Br)C2(C)CC(C(F)(F)F)C2)c1Br 2264649386 BCMNBZYKELEGAK-HKMPYMFOSA-N 485.001 6.996 50 10 JKGE Cc1sc([C@@H](Br)c2cc(Br)c(F)cc2Cl)c(Br)c1C 2270460619 GLLXLSUBAHPMOB-LBPRGKRZSA-N 491.445 7.167 50 10 JKGE FC1CC2(C1)CC(CBr)(Cc1ccc(I)c(Cl)c1)C2 2272086020 OTYBMMZDDDKHRV-UHFFFAOYSA-N 457.552 5.781 50 10 JKGE Fc1cc(Br)c(F)c(Br)c1[C@H](Br)[C@]12CCCC[C@H]1C2 2272727759 VJGMTGAESSGQHQ-GTNLGMRDSA-N 458.966 6.506 50 10 JKGE COc1c(C)cc(C)cc1[C@H](Br)c1scc(Br)c1Br 2277974986 OMUNFCPWUPPKDY-NSHDSACASA-N 469.036 6.383 50 10 JKGE C[C@@H]1C[C@@H]1CCCCO[C@@](C)(CI)c1ccccc1Br 2284094809 HOERVBRLALIFSQ-KEYYUXOJSA-N 451.186 5.942 50 10 JKGE Fc1cc(Br)c(F)c(Br)c1[C@H](Br)[C@@H]1[C@H]2CCC(F)(F)[C@H]21 2288484273 QZIDBFPFIUNXIB-GGUYCOGGSA-N 480.919 6.217 50 10 JKGE COc1ccc(NC=C(C#N)c2nc(-c3cc4c(ccc5ccccc54)oc3=O)cs2)c(OC)c1 2295902702 VLCXWWGEQGZRAC-UHFFFAOYSA-N 481.533 6.063 50 10 JKGE CCOc1ccc(C=C(C#N)c2nc(-c3cc4c(ccc5ccccc54)oc3=O)cs2)cc1 2297213723 NNYMQAGFEKHYGT-UHFFFAOYSA-N 450.519 6.533 50 10 JKGE COc1cc(C=NNC(=O)[C@@H]2C[C@@H]2c2ccccc2)ccc1OCc1cccc2ccccc12 2297659895 ULSQCQJGIHXWRR-CLJLJLNGSA-N 450.538 5.681 50 10 JKGE Brc1cc(OCc2ccccc2)ccc1[C@@H](Br)[C@@H]1CC2(CC2)CO1 2299490080 VQPVZMOOGNXJIE-RBUKOAKNSA-N 452.186 6.033 50 10 JKGE Brc1ccc(OCc2ccccc2)c([C@@H](Br)[C@@H]2CCC23CCC3)c1 2299492061 HFCOFGGHKYTZCX-AZUAARDMSA-N 450.214 7.044 50 10 JKGE N#CC(=Cc1ccccc1OCc1ccc(Cl)cc1Cl)C(=O)Nc1cccc(Cl)c1Cl 2313571351 UFAWDPRFWJRVKA-UHFFFAOYSA-N 492.189 7.425 50 10 JKGE COc1ccc(C(=O)Oc2cccc(C=C(C#N)C(=O)Nc3cc(Cl)ccc3Cl)c2)cc1 2313631256 MYNHXZIECLGATD-UHFFFAOYSA-N 467.308 5.767 50 10 JKGE COc1cc(C=C(C#N)C(=O)Nc2ccc(C)cc2C)ccc1OCc1ccc(Cl)c(Cl)c1 2313667944 ZFVXYPQJAMXIEJ-UHFFFAOYSA-N 481.379 6.744 50 10 JKGE Brc1ccc(OCc2ccccc2)c([C@H](Br)C[C@@H]2CCCC23CC3)c1 2314443824 IMDBELSGMGEOFJ-FXAWDEMLSA-N 464.241 7.435 50 10 JKGE COc1ccccc1NC(=O)C(C#N)=Cc1c(Oc2ccccc2Cl)nc2c(C)cccn2c1=O 2314533669 SWQQZOBHCSYBBR-UHFFFAOYSA-N 486.915 5.003 50 10 JKGE Cc1cccc(NC(=O)C(C#N)=C2S[C@H](Cc3ccccc3)C(=O)N2c2ccc(C)c(C)c2)c1 2314592335 RENQJFYYGCIUNN-RUZDIDTESA-N 467.594 5.677 50 10 JKGE C[C@@H]1C[C@H]2C[C@]([C@H](Br)c3cc(Br)ccc3OCc3ccccc3)(C2)O1 2319802654 HGHMXGMKFKGGHI-XQJRBRMLSA-N 466.213 6.422 50 10 JKGE CC[C@H](C)[C@@H](C(O)=C(C#N)c1nc(-c2cccc([N+](=O)[O-])c2)cs1)N1C(=O)c2ccccc2C1=O 2331236551 FAGARHMUTLNAEL-QKKBWIMNSA-N 488.525 5.222 50 10 JKGE CCOc1ccc(C=CC(O)=C(C#N)c2nc(-c3ccc(Cl)c(Cl)c3)cs2)cc1OC 2331311603 BZPDONOGIDYEQY-UHFFFAOYSA-N 473.381 7.030 50 10 JKGE COc1cc(Cl)c(C)cc1-c1csc(C(C#N)=C(O)CCCCCNC(=O)c2ccccc2)n1 2331390203 QQWVKMQPQHWYKF-UHFFFAOYSA-N 496.032 6.564 50 10 JKGE COc1cc(Br)cc(C=C(C#N)c2nc(-c3ccc(C(C)(C)C)cc3)cs2)c1O 2331453471 WMLROFDQZFTQBF-UHFFFAOYSA-N 469.404 6.648 50 10 JKGE CCOc1cc(C=C(C#N)c2nc(-c3ccc(C(C)C)cc3)cs2)cc(Br)c1O 2331456674 RGYRJOMPSKHMAT-UHFFFAOYSA-N 469.404 6.864 50 10 JKGE Cc1cc(Br)c([C@@H](Br)[C@H]2CC[C@@H]3C[C@H]2CO3)cc1Br 2334116018 TYJLZFDGQIBZBM-DDIVZENXSA-N 453.012 5.771 50 10 JKGE Cc1cc(Br)c([C@H](Cl)c2c(F)cc(Cl)c(Br)c2Cl)s1 2335301659 JBNOEBZAHJFRIB-LLVKDONJSA-N 467.412 7.356 50 10 JKGE Brc1ccc(OCc2ccccc2)c([C@@H](Br)c2csc3ccccc23)c1 2336075319 OJPJJBGMGOXIHB-JOCHJYFZSA-N 488.244 7.727 50 10 JKGE Fc1cccc(C[C@@H](Br)c2ccc(Cl)cc2I)c1F 2340059982 ZABMZWDMQIDFBO-LLVKDONJSA-N 457.483 5.902 50 10 JKGE ClCc1cc(Cl)cnc1OCc1ccc(I)c(Br)c1 2350072556 ALZWHNZJYMBCGR-UHFFFAOYSA-N 472.935 5.420 50 10 JKGE CCc1cc(Br)c(OC)c([C@@H](Br)c2sncc2Br)c1 2353040838 UNKZHVDAXJSHJC-LLVKDONJSA-N 470.024 5.723 50 10 JKGE Fc1c(Br)cc(Cl)c([C@H](Cl)[C@H]2COCCC2(F)F)c1Br 2362239190 LCGKIGLAHXSTFA-GPXNAGAYSA-N 456.911 5.956 50 10 JKGE COc1c(F)cc([C@@H](Br)c2ccc(C)c(I)c2)cc1F 2370436863 JXJIQQLXBNAVGU-AWEZNQCLSA-N 453.064 5.371 50 10 JKGE CCn1cc(Br)c(COc2c(CBr)ccc(C)c2Br)n1 2380668295 GXTUMFHACOGZFJ-UHFFFAOYSA-N 466.999 5.210 50 10 JKGE CCSc1sccc1[C@@H]1C(C#N)=C(N)N(c2ccccc2F)C2=C1C(=O)CC(C)(C)C2 9982039 GBOUIPVMXFNRKX-HXUWFJFHSA-N 453.608 5.940 50 10 JKGE CCCCCCOc1ccc(/C=N/NC(=O)CSc2nc3ccccc3s2)cc1OC 32519850 RAOQJUWOPXYHIM-BUVRLJJBSA-N 457.621 5.506 50 10 JKGE COc1cc(/C=C(/C#N)C(=O)Nc2ccccc2)ccc1OCCOc1ccc(C2CCCCC2)cc1 33788575 BGIIKAXBNPXPTD-QOMWVZHYSA-N 496.607 6.746 50 10 JKGE N#C/C(=C/c1ccc(-c2ccc(Br)cc2)o1)C(=O)Nc1ccc([N+](=O)[O-])cc1Cl 33930172 XFPBGTCJXKYIRU-LCYFTJDESA-N 472.682 5.816 50 10 JKGE Cn1c(/C(C#N)=C/c2c(Oc3ccccc3Cl)nc3ccccn3c2=O)nc2ccccc21 35549733 YJXXCXVUIKKTIP-JQIJEIRASA-N 453.889 5.091 50 10 JKGE CC(C)COc1ccc(C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@@H]3c2cccc(Cl)c2)cc1 38651213 YVIZTHVQFMHDDO-RUZDIDTESA-N 474.944 5.812 50 10 JKGE COc1cc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4ccc(C)cc4)ccc32)ccc1OCC(C)C 38684095 XSBVYIUFFRBCFH-HHHXNRCGSA-N 484.552 5.476 50 10 JKGE O=C(NNc1ncnc(Nc2ccc(Cl)cc2Cl)c1[N+](=O)[O-])c1ccc(Cl)cc1Cl 40650215 CWNDANBMSKMOFS-UHFFFAOYSA-N 488.118 5.499 50 10 JKGE CCCCOc1ccc(NC(=O)c2oc3c(c2C)/C(=N/NC(=O)Cc2ccccc2)CCC3)cc1 40815783 AJWBUAMXBIAXNH-JJKYIXSRSA-N 473.573 5.419 50 10 JKGE Cc1cccc(NC(=O)c2oc3c(c2C)/C(=N/NC(=O)Cc2coc4c(C)c(C)ccc24)CCC3)n1 40826777 BINWROWGMWLZAB-NJZRLIGZSA-N 484.556 5.306 50 10 JKGE CCCCCCOc1ccc(/C=N/NC(=O)COc2ccc(Br)cc2CC)cc1 40959939 MUNZJRNENQALLC-PCLIKHOPSA-N 461.400 5.500 50 10 JKGE CCCCCCCCCCCCCCCCCCOC(=S)N[C@H]1CS(=O)(=O)C[C@H]1Cl 59568244 HWKNHUMEPADBTI-YADHBBJMSA-N 482.196 6.543 50 10 JKGE Cc1cc(C(=O)Oc2ccc(/C=N/NC(=O)[C@@H]3C[C@@H]3c3ccc(C(C)(C)C)cc3)cc2)ccc1[N+](=O)[O-] 83295852 ZJLJIUJLFZGTMJ-NGRIDEQRSA-N 499.567 5.674 50 10 JKGE CCCCN1C(=O)C(C#N)=C(C)/C(=C\c2cn(-c3ccccc3)nc2-c2ccc(OCC)cc2)C1=O 101332942 OWWWMZNSXUQACG-KOEQRZSOSA-N 480.568 5.330 50 10 JKGE CCCCCCOC(=O)c1ccccc1N/C=C(/C#N)c1nc(-c2ccc(OC)c(OC)c2)cs1 102418991 KZYDPKBEIZYKJD-JZJYNLBNSA-N 491.613 6.541 50 10 JKGE C=CCOC(=O)c1sc(N/C=C(\C#N)c2nc(-c3ccccc3)cs2)c(C(=O)OCC)c1C 102924603 BRIHPGGZGIFSIR-GHRIWEEISA-N 479.583 5.676 50 10 JKGE COc1cc(C)c([C@H](Br)c2csc(I)c2)cc1OC 124426005 OWZIURPVGJEHLY-CQSZACIVSA-N 453.139 5.163 50 10 JKGE Clc1ccc(C[C@@H](Br)c2cc(Br)c(Br)s2)cc1Cl 128295882 KZJOGOHKBRLQSN-SSDOTTSWSA-N 493.873 7.259 50 10 JKGE Cc1cc(Br)c([C@@H](Br)CC[C@H]2CCCCO2)cc1Br 128760957 KLDDNMFTJYTPDJ-YPMHNXCESA-N 455.028 6.305 50 10 JKGE CCc1ccc([C@@H](C)N/C=C(/C#N)C(=O)N2CCN(C(c3ccccc3)c3ccccc3)CC2)cc1 216491930 SDFIERCLJRBSBU-KNQUJZAFSA-N 478.640 5.241 50 10 JKGE CC[C@H](NC(=O)/C(C#N)=C\N(Cc1ccccc1)Cc1ccccc1)c1ccc2c(c1)CCCC2 217190765 VOTDMEUJNSQFMZ-JRECCILKSA-N 463.625 6.243 50 10 JKGE C[C@@H]1Cc2cc([C@H](Cl)c3cc(I)ccc3Br)ccc2O1 235414656 DNHFAOYCDVFGPM-ABKXIKBNSA-N 463.540 5.705 50 10 JKGE Cc1cc([C@@H](Br)c2cc(I)ccc2Br)ccc1F 235863828 HZACEFDNTULMNR-CQSZACIVSA-N 483.944 5.986 50 10 JKGE ClCc1cc(Br)c(OCc2cc(Br)cs2)c(Br)c1 236020464 AAQKHZZZSZKUJI-UHFFFAOYSA-N 475.427 6.353 50 10 JKGE O=C(CNc1ccc2ccccc2c1)NN=Cc1cc(N=Nc2ccc([N+](=O)[O-])cc2)ccc1O 254302065 UMIXNMUMNWPJNQ-UHFFFAOYSA-N 468.473 5.431 50 10 JKGE O=C(NN=Cc1ccc(N2N=C(/C=C/c3ccccc3)C[C@H]2c2ccccc2)cc1)c1ccncc1 254420787 WLZZNVJPWDXDQS-PLFBTGIWSA-N 471.564 5.866 50 10 JKGE O=C(NN=Cc1c2ccccc2cc2ccccc12)c1cccc(NC(=O)c2ccc(F)cc2)c1 254754214 FOODTYSBGCNOGY-UHFFFAOYSA-N 461.496 6.148 50 10 JKGE COc1ccc(/C=C\C(=O)Oc2ccc(C=NNC(=O)COc3ccc(C(C)(C)C)cc3)cc2)cc1 254833763 MFQAQPOAZKVSHM-HESPNJQVSA-N 486.568 5.141 50 10 JKGE CC[C@H]1CCC[C@@H](Oc2c(Br)cc(Br)cc2CBr)C1 388874055 GCHXKLITXSZPFI-GXFFZTMASA-N 455.028 6.454 50 10 JKGE CC(C)(C)OC(=O)NCCN1c2ccccc2NC[C@@H]1c1cccc(CO[Si](C)(C)C(C)(C)C)c1 616691788 OBCYZHCHKBJMBT-RUZDIDTESA-N 497.756 6.706 50 10 JKGE Fc1cccc(Cl)c1C[C@H](Br)c1scc(Br)c1Br 705493164 SBSDGEXOAQGEPZ-ZETCQYMHSA-N 477.418 6.744 50 10 JKGE Fc1cc(Br)ccc1C[C@@H](Br)c1cc(Br)c(Cl)s1 709612154 CPPSMWGNRSDBDC-MRVPVSSYSA-N 477.418 6.744 50 10 JKGE Cc1ccc([C@H](Br)c2ccc(Br)cc2Cl)c(C)c1Br 719534093 FPQZCPCAUJUQMB-HNNXBMFYSA-N 467.426 6.966 50 10 JKGE FC(F)(F)Sc1c(I)c(CBr)cc2ccsc12 725283826 UXVXSWKHWPADIC-UHFFFAOYSA-N 453.086 6.013 50 10 JKGE CCCN(CCC)c1ccc(C(=O)NN=Cc2ccccc2OS(=O)(=O)c2ccc(C)cc2)cc1 1084057748 JEWUIAOELHKEMA-UHFFFAOYSA-N 493.629 5.153 50 10 JKGE Cc1ccc(Cl)cc1NC(=O)C(=O)NN=Cc1cc(C)n(-c2ccc(Cl)c(Cl)c2)c1C 1084093787 OJGUWLVQGBOELF-UHFFFAOYSA-N 477.779 5.452 50 10 JKGE COc1cc(C=NNC(=O)c2cccc(Br)c2)ccc1OCc1cccc2ccccc12 1084153758 ZBDGFHYYKMCIFK-UHFFFAOYSA-N 489.369 5.954 50 10 JKGE CC(=NNC(=O)COc1ccc2ccccc2c1Br)C(c1ccccc1)c1ccccc1 1084246523 JWHITHXBAGBJIG-UHFFFAOYSA-N 487.397 6.305 50 10 JKGE Cc1ccc(C)c(-n2c(C)cc(C=NNC(=O)c3cc4cc(Br)ccc4o3)c2C)c1 1084316421 JNFYJKVEIUBSRP-UHFFFAOYSA-N 464.363 5.984 50 10 JKGE O=C(Nc1ccccc1C(=O)NN=Cc1cccc(OCc2ccc(Cl)cc2)c1)c1ccco1 1084483863 IZOGECNHYUVJLT-UHFFFAOYSA-N 473.916 5.528 50 10 JKGE COc1cc(C=NNC(=O)[C@@H](C)Sc2ccc(Cl)cc2)ccc1OCc1ccccc1 1084533745 WZYUTUVPFSXADP-QGZVFWFLSA-N 454.979 5.559 50 10 JKGE Cc1c(C(=O)Nc2cccc(Cl)c2Cl)oc2c1C(=NNC(=O)c1cccc(Cl)c1)CCC2 1772745981 NAVIZDWBUTULCL-UHFFFAOYSA-N 490.774 6.271 50 10 JKGE COc1cc(C=NNC(=O)COc2ccc(-c3ccccc3)cc2)ccc1OCc1ccc(C)cc1 1772754810 WIZBFCCYWIWDQJ-UHFFFAOYSA-N 480.564 5.779 50 10 JKGE O=C(CSc1nc2ccccc2[nH]1)NN=Cc1cccc(OCc2ccc(Br)cc2)c1 1772760468 OTRBCHHBDSIYLE-UHFFFAOYSA-N 495.402 5.147 50 10 JKGE N#CC1=C(N)Oc2c(c(-c3ccccc3)nn2Cc2ccc(F)cc2)[C@H]1c1cccc2ccccc12 1865682515 QNARDMUAHAWYJF-SANMLTNESA-N 472.523 6.109 50 10 JKGE CCCc1nn(CC(C)C)c2c1[C@@H](c1ccc(OCc3ccccc3)c(OC)c1)C(C#N)=C(N)O2 1865687501 SLBIANATCJIKGD-VWLOTQADSA-N 472.589 5.297 50 10 JKGE CCCOc1cccc([C@@H]2C(C#N)=C(N)Oc3c2c(C(F)(F)F)nn3Cc2ccc(F)cc2)c1 1865693702 LWHZWAFFNBZGQQ-LJQANCHMSA-N 472.442 5.096 50 10 JKGE CCCCCOc1ccc([C@@H]2C(C#N)=C(N)Oc3c2c(-c2ccc(OC)cc2)nn3CC)cc1OC 1865696010 JOIXMDVKIUXVSE-XMMPIXPASA-N 488.588 5.374 50 10 JKGE Cc1ccc(-n2nc(C)c3c2OC(N)=C(C#N)[C@@H]3c2ccccc2OCc2ccc(Cl)cc2)cc1 1865701245 PZGYNKRFGWMBDV-SANMLTNESA-N 482.971 5.940 50 10 JKGE CCc1nn(Cc2ccccc2F)c2c1[C@H](c1ccc(OC(=O)c3ccccc3)cc1)C(C#N)=C(N)O2 1865705506 XJWUKSRUSDLAQK-RUZDIDTESA-N 494.526 5.070 50 10 JKGE COc1ccc(-c2nn(Cc3cccc(Cl)c3)c3c2[C@H](c2cccc(C)c2)C(C#N)=C(N)O3)cc1 1865711035 OLIUTGPJYLMNCR-XMMPIXPASA-N 482.971 5.787 50 10 JKGE COc1ccc(-c2nn(Cc3ccc(F)cc3)c3c2[C@H](c2ccccc2C)C(C#N)=C(N)O3)cc1 1865712949 MSAWUWITIZEWFI-XMMPIXPASA-N 466.516 5.273 50 10 JKGE CCCOc1ccc(/C=N\NC(=O)c2ccc(-c3ccc(Cl)c(Cl)c3)nc2C)cc1OC 1865762701 XSCVYGMGOCZXRO-VYYCAZPPSA-N 472.372 5.925 50 10 JKGE CC(C)[C@H](C(=O)N[C@@H](Cc1ccc(F)cc1)C(=O)Nc1ccc(SC#N)cc1)c1ccc(F)cc1 1866968263 OKAHAYJCIFCTKT-DQEYMECFSA-N 493.579 5.644 50 10 JKGE Cc1nc(Nc2ccc(SC#N)cc2)cc(N2CCC[C@@H]2Cc2ccc(Br)cc2)n1 1868480261 JIEFSPIJSXRJKG-HXUWFJFHSA-N 480.435 6.076 50 10 JKGE N#C/C(=C(O)\C=C\c1ccc(OCc2ccccc2)cc1)c1nc(-c2ccc3c(c2)CCCC3)cs1 1872745088 BDWADJGBPOBMDE-CTWKVTEGSA-N 490.628 7.774 50 10 JKGE COc1ccc(/C=C(C(/O)=C(\C#N)c2nc(-c3ccc(C)cc3C)cs2)\c2ccccc2)cc1 1872748657 HQSAAFNEQJEIEH-KUEQOBMBSA-N 464.590 7.469 50 10 JKGE COc1c(C)cc(Cl)cc1-c1csc(/C(C#N)=C(\O)[C@@H]2CC(=O)N([C@@H](C)c3ccccc3)C2)n1 1872757189 UDSHSPCUBCCKID-LDDNGNJKSA-N 494.016 6.183 50 10 JKGE COc1cccc(/C=C(\C#N)c2nc(-c3cccc([N+](=O)[O-])c3)cs2)c1OCc1cccc(C)c1 1872782771 UYVVGWRQCGAALE-LPYMAVHISA-N 483.549 6.679 50 10 JKGE Cc1ccccc1COc1ccc(/C=C(\C#N)c2nc(-c3ccc(C(C)(C)C)cc3)cs2)cc1 1872792370 VGTCCAGZPWEIJS-KOEQRZSOSA-N 464.634 8.059 50 10 JKGE CCCOc1ccc(-c2csc(/C(C#N)=C(\O)c3cccc(NC(C)=O)c3)n2)cc1OCCC 1872818166 PQVZWDALLHQEIG-DAFNUICNSA-N 477.586 6.296 50 10 JKGE O=C(N[C@H](CBr)[C@@H]1CC=CCC1)c1scc(Br)c1Br 1885116483 WTRCHHMDJXZPFE-PSASIEDQSA-N 472.040 5.123 50 10 JKGE CC(C)(C)[C@H](CBr)Cc1ccc(I)c(Br)c1 1904346229 OVJVGUOTUCTCIB-JTQLQIEISA-N 459.991 5.653 50 10 JKGE C[C@H](Br)CN(Cc1ccccc1)S(=O)(=O)c1ccc(Cl)c(F)c1Cl 1914640874 ZLCLUFLTSRGDPK-NSHDSACASA-N 455.176 5.107 50 10 JKGE C[C@H](c1cccs1)N(Cc1ccccc1)c1ccc(CBr)c(Br)c1 1914894802 KSSJWULQVCUSDD-OAHLLOKOSA-N 465.254 7.173 50 10 JKGE Brc1cc([C@H](Br)c2sc(Br)cc2Br)cs1 1922920160 DBTRBNJVZNCNSI-QMMMGPOBSA-N 495.881 6.581 50 10 JKGE COc1sccc1[C@H](Br)c1sc(Br)c(C)c1Br 1922931429 CBASHAITDZEILO-QMMMGPOBSA-N 461.038 6.136 50 10 JKGE CC[C@]1([C@@H](Br)c2sc(Br)c(C)c2Br)CC1(F)F 1922935787 SFCWPDUSIFXLFO-WCBMZHEXSA-N 452.984 6.453 50 10 JKGE Brc1cc(Br)c([C@H](Br)[C@H]2COc3ccccc32)s1 1922939268 HIXUFOWHFCALBK-QPUJVOFHSA-N 452.993 5.885 50 10 JKGE CC1(C)CC[C@@H]([C@@H](Br)c2c(Br)sc(Br)c2Cl)C1 1923072772 RMJHRUNHDRUZGX-HTRCEHHLSA-N 465.476 7.189 50 10 JKGE Cl[C@H](c1c(Br)sc(Br)c1Br)[C@@H]1C[C@@H]2CCC[C@H]21 1924615486 BVLXVHPGYZRSBW-DHCFDGJBSA-N 463.460 6.752 50 10 JKGE ClCC=CCNc1cc(Br)c(I)c(Br)c1 1931649213 CHYCCVYBPRHFDQ-UHFFFAOYSA-N 465.354 5.023 50 10 JKGE C[C@H](CBr)N(Cc1ccccc1)C(=O)c1cc(Br)c(Cl)s1 1956957148 JUZMKZXEXGLQMF-SNVBAGLBSA-N 451.611 5.590 50 10 JKGE Clc1sc([C@H](Br)Cc2ccncc2Br)cc1Br 2004903368 XCPXZJRTGGFMPK-SSDOTTSWSA-N 460.416 6.000 50 10 JKGE Cl[C@@H](c1c(Br)sc(Br)c1Br)C1CC2(COC2)C1 2007605469 PDCAPEIDSUYIHN-MRVPVSSYSA-N 465.432 5.742 50 10 JKGE Cc1cc(Br)c(C)c([C@H](Br)C2(Br)CCC2)c1Br 2022975924 KPNCLJMVFDEGTE-LBPRGKRZSA-N 489.871 6.582 50 10 JKGE CCc1cc(Br)c([C@@H](Br)c2c(Br)cnn2CC)s1 2033246415 MLEPDKSIWAOLPG-JTQLQIEISA-N 457.029 5.536 50 10 JKGE Fc1cc(Br)c([C@H](Br)c2cscc2Br)c(F)c1Cl 2081837540 BMGGAUDZVYKHQX-SECBINFHSA-N 481.381 6.689 50 10 JKGE Cc1c(Br)ccc([C@@H](Br)C2(C(F)(F)F)CC2)c1Br 2083320610 LDXUMVXXZLDXLZ-SNVBAGLBSA-N 450.918 6.299 50 10 JKGE COc1ccc([C@@H](Br)c2ccc(Br)c(C)c2Br)s1 2083330265 MSHLSDLEQVRCFA-ZDUSSCGKSA-N 455.009 6.074 50 10 JKGE Clc1ccccc1[C@H](CBr)Cc1ccc(Br)cc1Br 2092260089 DGZKNZLYZZELMT-NSHDSACASA-N 467.426 6.586 50 10 JKGE O=[N+]([O-])c1ccccc1C[C@@H](Br)c1csc(Br)c1Br 2093942518 UHWMPVBFEAQXBV-SECBINFHSA-N 469.980 5.860 50 10 JKGE FC(F)(F)C1([C@@H](Br)c2c(Cl)sc(Br)c2Cl)CCCC1 2116579504 HSEQBAOFXALGTM-ZETCQYMHSA-N 460.968 7.376 50 10 JKGE C[C@H](NCCSSCCNC(=O)OC(C)(C)C)c1ccc(Cl)c(Cl)c1Cl 2125292277 GCXOVNPMHOBWRZ-NSHDSACASA-N 459.892 6.204 50 10 JKGE CC(F)(F)c1ccc([C@@H](Br)c2sc(Br)cc2Br)cc1 2128389040 BDGDFQDMIPZNDN-LLVKDONJSA-N 474.990 6.869 50 10 JKGE Clc1ccc(Br)c(COc2ccc(CBr)c(Br)c2)c1 2135998094 YPQJJCMOXFRCPZ-UHFFFAOYSA-N 469.398 6.339 50 10 JKGE Cc1cc(Br)c(C)c([C@H](Cl)c2cccc(Br)c2)c1Br 2136373303 ZOPCYYKPKMBNCP-OAHLLOKOSA-N 467.426 6.919 50 10 JKGE C[C@@H]1Cc2cc([C@@H](Br)c3ccc(Br)cc3)cc(Br)c2O1 2146630338 WEZJSBMTHMSQPK-PSLIRLAXSA-N 460.991 6.019 50 10 JKGE CC[C@@H]1CN(C(=O)OCc2ccccc2)[C@H](CC)CN1C[C@@H](CBr)c1ccccc1 2162985599 HWTNWJRFUBXNMF-WXFUMESZSA-N 473.455 5.677 50 10 JKGE O=C(c1scc(Br)c1Br)N1CCC[C@@]2(CBr)CCC[C@@H]12 2165290398 NJFYXDCMGQCPQQ-QMTHXVAHSA-N 486.067 5.443 50 10 JKGE CC1(C)COc2c([C@H](Br)c3cc(Br)sn3)cc(Br)cc21 2176539718 RRESBQCEUKMXEN-LBPRGKRZSA-N 482.035 5.822 50 10 JKGE CCCOc1ccc(Br)cc1CNCCSSCCNC(=O)OC(C)(C)C 2181745724 DOAOWFNMQBCUCV-UHFFFAOYSA-N 479.506 5.234 50 10 JKGE Cc1cc(Br)c(C)c([C@H](Br)[C@@]2(C)C[C@@H]2C(F)(F)F)c1Br 2201070107 DZGZFXBZERUJDR-XDTLVQLUSA-N 478.972 6.853 50 10 JKGE COc1c(Cl)cc(Br)cc1[C@H](Br)Cc1cccc(Br)c1 2203004466 RHBWJBHEYYAPMR-CYBMUJFWSA-N 483.425 6.552 50 10 JKGE COc1c(Br)cc(C)cc1[C@@H](Br)c1nn(C)c(Cl)c1Br 2203813582 XVJSPEQPXINCAC-SECBINFHSA-N 487.417 5.400 50 10 JKGE O=C(c1scc(Br)c1Br)N1CC[C@@H]2CC[C@H](Br)C[C@@H]2C1 2204098517 PQFBSZLZVGBCCU-AEJSXWLSSA-N 486.067 5.299 50 10 JKGE Clc1ccccc1[C@H](Cl)Cc1sc(Br)c(Br)c1Br 2222471047 IPWUYWYTZUAIIV-MRVPVSSYSA-N 493.873 7.212 50 10 JKGE FC(F)(F)[C@@H]1CCO[C@H]1[C@@H](Br)c1sc(Br)cc1Br 2223755674 DZPQIFWITOELAF-FOPMIJGASA-N 472.946 5.677 50 10 JKGE Cc1cc(Br)c([C@H](Br)[C@H]2C[C@H]3CC[C@H]2C3)c(C)c1Br 2227350590 XNLXNAGJEJSBHH-CENBSLRLSA-N 451.040 6.701 50 10 JKGE COc1ccc([C@@H](Br)c2cc(C)ccc2I)cc1Br 2232221611 BXEHUXHGWJHERY-OAHLLOKOSA-N 495.980 5.855 50 10 JKGE Cc1cc(Br)c([C@@H](Br)c2c(Cl)cccc2Cl)c(C)c1Cl 2232530550 SGYYCHXGBKFXSO-CQSZACIVSA-N 457.420 7.510 50 10 JKGE Fc1cc(Br)c(Br)cc1[C@H](Br)c1ccc(F)c(F)c1F 2233976008 NBHZZIGFJZQSGI-LLVKDONJSA-N 476.887 6.252 50 10 JKGE Cc1cc(Br)c(C)c([C@H](Br)[C@@H]2CCCC(C)(C)O2)c1Br 2235157635 ALTONNMHVAXDEX-SWLSCSKDSA-N 469.055 6.612 50 10 JKGE Cc1cc(Br)c([C@H](Br)[C@H]2CC3CCC2CC3)c(C)c1Br 2235603857 KYANMZWKUHKSAB-JJOHEJHASA-N 465.067 7.091 50 10 JKGE COc1cc(Br)c([C@@H](Cl)c2ccc(Br)cc2Br)cc1C 2236007619 GAFGGSRWWGFGBX-HNNXBMFYSA-N 483.425 6.619 50 10 JKGE CCc1cc([C@H](Br)c2cccc(Cl)c2Br)sc1Br 2256129293 LCFVPDDHBUXGAX-GFCCVEGCSA-N 473.455 6.973 50 10 JKGE COc1c([C@H](Br)c2sc(Br)c(C)c2Br)csc1Cl 2256858210 FTEKAFDZAHEQOS-ZETCQYMHSA-N 495.483 6.789 50 10 JKGE COc1ccc([C@H](Br)Cc2cc(Br)cc(Br)c2)s1 2263449757 DAKVLTGXQHEEOS-LLVKDONJSA-N 455.009 5.960 50 10 JKGE COc1ccc([C@@H](Cl)c2ccc(Br)cc2Cl)cc1I 2269540689 HDSXAPZMTJKASF-CQSZACIVSA-N 471.947 6.044 50 10 JKGE COc1cc(C)c(Br)c(C)c1[C@@H](Br)c1cscc1OCc1ccccc1 2269602071 AEHBACQRDDWUNG-NRFANRHFSA-N 496.264 7.199 50 10 JKGE CC(C)(C)c1ncc2nc(CCl)n(CCCN(Cc3ccccc3)Cc3ccccc3)c2n1 2271150636 KOCLERPGJSEHDT-UHFFFAOYSA-N 462.041 5.955 50 10 JKGE CC(C)(F)[C@@](C)(F)[C@@H](Br)c1c(F)cc(Br)c(F)c1Br 2272726036 IVKPJNSFMPITNN-JQWIXIFHSA-N 470.924 6.402 50 10 JKGE C[C@@H](c1ccncc1Br)[C@@H](Br)c1cc(F)c(Br)cc1Cl 2282906294 ABVUWJJZVLUEIU-JKYUHCHBSA-N 486.404 6.639 50 10 JKGE COc1ccc([C@@H](Br)c2cc(Cl)cc(Cl)c2)c(Br)c1Cl 2283563533 NXPBJFYVTZCFAI-LBPRGKRZSA-N 459.392 6.902 50 10 JKGE COc1ccc(CNC(=O)C(C#N)=Cc2cc(C)n(-c3ccc(Br)cc3F)c2C)cc1 2294187389 IWVPKJRHYMGDIY-UHFFFAOYSA-N 482.353 5.228 50 10 JKGE Cc1cc(F)c(Br)cc1[C@@H](Cl)c1cc2sc(Br)cc2s1 2295397343 CAAUYMWIRUMQER-CQSZACIVSA-N 454.611 7.264 50 10 JKGE N#CC(=Cc1ccc(O)c(Br)c1)c1nc(-c2ccc(Cl)cc2Cl)cs1 2296801505 MLYWACWTQUFCGJ-UHFFFAOYSA-N 452.160 6.649 50 10 JKGE CCCCCCOc1ccc(OCCOc2ccc(C=C(C#N)C(=O)NCc3ccco3)cc2)cc1 2297499654 SJCASUZMZMSRHH-UHFFFAOYSA-N 488.584 5.920 50 10 JKGE Fc1ccc(Br)c([C@@H](Cl)c2sc(Cl)cc2I)c1 2300954843 CPLDBNGCIZHIFY-SNVBAGLBSA-N 465.940 6.236 50 10 JKGE FC1(F)CC2(C[C@@H]2[C@@H](Br)c2sc(Cl)cc2I)C1 2301081674 RECHJYXAYMQPAI-SVGQVSJJSA-N 453.517 5.878 50 10 JKGE Fc1ccc(Cl)c([C@@H](Br)c2sc(Cl)cc2I)c1 2301083897 MTQGWMZNPJMTHK-SNVBAGLBSA-N 465.940 6.283 50 10 JKGE Brc1cc(OCc2ccccc2)ccc1[C@@H](Br)[C@@]12CCCC[C@@H]1CC2 2314490210 MTBCPDKGNLTXFY-ZPMCFJSWSA-N 464.241 7.435 50 10 JKGE Cc1cccc(NC(=O)C(C#N)=C2S[C@@H](Cc3ccc(C)c(C)c3)C(=O)N2c2ccc(C)c(C)c2)c1 2314592308 QKWXVSTTXVHVIX-MHZLTWQESA-N 495.648 6.294 50 10 JKGE COc1cc(C=C(C#N)c2ccc(Cl)cc2)ccc1OC(=O)c1ccc(Cl)cc1Cl 2314720274 KAFADMNWVCPIPS-UHFFFAOYSA-N 458.728 6.939 50 10 JKGE CC(C)C[C@@H](C)[C@@H](Br)c1c(Cl)cc(Br)c(F)c1Br 2315444120 RWMGGSKTDTVABH-RDDDGLTNSA-N 465.426 7.122 50 10 JKGE COC[C@@H]1C[C@H]1[C@@H](Br)c1c(Cl)cc(Br)c(F)c1Br 2315447841 SPBAXEIJTINGED-BAJZRUMYSA-N 465.382 5.723 50 10 JKGE FC1(F)CCC[C@@H]2[C@H]([C@H](Br)c3sc(Cl)cc3I)[C@H]21 2316657901 CSUHIMIDWMMREK-VITNAHMWSA-N 467.544 6.124 50 10 JKGE Clc1cc(I)c([C@@H](Br)c2cc3ccccc3s2)s1 2316775523 TTXNXRIVQPLUGG-LBPRGKRZSA-N 469.594 6.705 50 10 JKGE CCCOc1ccc(C=NNC(=O)c2ccc(-c3ccc4ccccc4c3)s2)cc1OCC 2325901980 ISOCNZPGUZEGAY-UHFFFAOYSA-N 458.583 6.520 50 10 JKGE CC(=Cc1cccc(Cl)c1)C(=O)N[C@H](Cc1ccc(F)cc1)C(=O)Nc1ccc(SC#N)cc1 2330503086 WTIMVCNGPFODBC-XMMPIXPASA-N 493.991 5.822 50 10 JKGE O=C(c1cc(Br)sc1Br)N1CC[C@H]2CC[C@H](Br)[C@@H]1C2 2330967385 UPICBLNXVSEEJJ-JEZHCXPESA-N 472.040 5.051 50 10 JKGE CC(C)(C)c1ccc(-c2csc(C(C#N)=C(O)C=Cc3ccc(OCc4ccccc4)cc3)n2)cc1 2331332038 YAJDUPWFLPTGRB-UHFFFAOYSA-N 492.644 8.193 50 10 JKGE COc1ccc(C(C)(C)C)cc1-c1csc(C(C#N)=C(O)C=Cc2ccc(Cl)c(Cl)c2)n1 2331350565 BXZJEBOOJAEPEW-UHFFFAOYSA-N 485.436 7.929 50 10 JKGE COc1ccc(-c2csc(C(C#N)=C(O)c3cccc(Br)c3)n2)c(OC)c1OC 2331412522 FUKBZGHPLNBVIE-UHFFFAOYSA-N 473.348 5.548 50 10 JKGE CCOc1c(C=C(C#N)c2nc(-c3cc(Cl)c(OC)c(Cl)c3)cs2)cccc1OC 2331480251 ANOAUJPPYIRTOB-UHFFFAOYSA-N 461.370 6.597 50 10 JKGE Fc1cc(Br)c(F)c(Br)c1[C@@H](Br)C[C@@H]1CCC1(F)F 2335422975 ZAWAWIDZBIJOGI-WDSKDSINSA-N 468.908 6.361 50 10 JKGE Brc1ccc(OCc2ccccc2)c([C@H](Br)[C@H]2C[C@@H]2C2CCOCC2)c1 2336040324 DXNVXKACTXRSKV-XQBPLPMBSA-N 480.240 6.527 50 10 JKGE FC1(F)CCCCC[C@@H]1[C@@H](Br)c1ccc(OCc2ccccc2)cc1Br 2336079534 UTQKQKWDXAVXGE-QUCCMNQESA-N 488.210 7.680 50 10 JKGE CC[C@@]1([C@@H](Br)c2c(Cl)cc(Br)c(F)c2Br)CC1(F)F 2337110853 FTMMBBUQHSXOIL-QWRGUYRKSA-N 485.363 6.876 50 10 JKGE CC1(C)CCN(Cc2ccc(Cl)c(I)c2)C[C@@H]1CBr 2337225987 RUNJWCVZIWKKER-LBPRGKRZSA-N 456.593 5.188 50 10 JKGE CC(F)(F)c1ccc([C@H](Br)c2sc(Cl)cc2I)cc1 2338768442 QQBVIUOCHRMKLY-NSHDSACASA-N 477.539 6.602 50 10 JKGE COc1c(Br)cc(C)c([C@H](Br)[C@]23COC[C@@H]2C3)c1Br 2339692202 VSBBJFJGXXODIF-ULCPSODYSA-N 454.984 5.001 50 10 JKGE Fc1c(Br)cc(Cl)c([C@@H](Br)C[C@@H]2CCC23CCC3)c1Br 2362227794 JLCXGCVPEHEZIE-IUCAKERBSA-N 489.448 7.411 50 10 JKGE COc1cc(C)c(Br)cc1[C@@H](Br)c1c(Br)nc(C)n1C 2362440398 LWUVVLPMDJZFOE-GFCCVEGCSA-N 466.999 5.055 50 10 JKGE Cc1cc(Br)c(F)c(Br)c1[C@H](Br)C[C@H]1COC(C)(C)C1 2365191401 NUMDQSXWKFEPTO-NXEZZACHSA-N 473.018 6.300 50 10 JKGE BrC[C@H]1C[C@@H]2C[C@H](C1)CN(Cc1cc(Br)ccc1Br)C2 2369249601 AZKWBXXTZFSUBK-CLLJXQQHSA-N 466.055 5.455 50 10 JKGE O=C(NC1CCCCC1)[C@@H](c1ccc(Cl)cc1)N(Cc1ccc(F)cc1)C(=O)CCCl 3035425 ICJROXHIBBOXAQ-HSZRJFAPSA-N 465.396 5.627 50 10 JKGE CC(C)(C)c1ccc(C(=O)NNC(=O)c2cc(Br)ccc2OCCc2ccccc2)cc1 14665584 NOYPLIIVTKRBCV-UHFFFAOYSA-N 495.417 5.443 50 10 JKGE CCN(CC)S(=O)(=O)c1ccc(C(=O)Oc2ccc(/C=C(/C#N)c3cccc(Cl)c3)cc2)cc1 31901482 MRPLVHPLGFCVPL-JWGURIENSA-N 495.000 5.654 50 10 JKGE N#C/C(=C/c1cccc(OC(=O)CC(c2ccccc2)c2ccccc2)c1)c1cccc(Cl)c1 31902462 KYXRCRWHOFONDB-ONUIUJJFSA-N 463.964 7.532 50 10 JKGE CCCCCCOc1ccc(/C=C(/C#N)C(=O)Nc2sc3c(c2C#N)CC[C@@H](C)C3)cc1OC 33677404 RJHXFAQLRYMXCZ-WRDGEJPTSA-N 477.630 6.258 50 10 JKGE CCCCN1C(=O)N[C@H](c2cccc(NC(=O)[C@@H](C)Cl)c2)C(C(=O)OCC)=C1c1ccccc1 35710836 VGCWDBDTVIRNDM-VGOFRKELSA-N 483.996 5.093 50 10 JKGE CC(C)c1ccc(O[C@H](C)C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@H]3c2ccc(C(C)C)cc2)cc1 38649647 NCKGVZCXTSYYCB-OLILMLBXSA-N 496.607 6.524 50 10 JKGE CCCCOc1cccc(C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@H]3c2ccc(OC)cc2)c1 38650384 FTVIFWARVBVMBW-SANMLTNESA-N 470.525 5.311 50 10 JKGE CCOc1ccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4cccc(C)c4)ccc32)cc1OCC 38678996 JLWQFJLEJJVYJY-SANMLTNESA-N 470.525 5.230 50 10 JKGE Cc1ccccc1C(=O)Oc1ccc2c(c1)OC(N)=C(C#N)[C@@H]2c1c(Cl)cccc1Cl 38679470 AUQWNXSLLRVCLB-OAQYLSRUSA-N 451.309 5.739 50 10 JKGE N#C/C(=C\c1ccc(-c2ccc(Br)cc2)o1)C(=O)Nc1ccccc1C(F)(F)F 39884736 OXBNARISMWJSEW-SDNWHVSQSA-N 461.237 6.274 50 10 JKGE Cc1c(C(=O)NCCc2ccccc2)oc2c1/C(=N/NC(=O)c1ccc(Cl)cc1Cl)CCC2 40813707 DWMBIKFVHRYWAV-ZTKZIYFRSA-N 484.383 5.338 50 10 JKGE CCCCOc1ccc(NC(=O)c2oc3c(c2C)/C(=N/NC(=O)COc2ccccc2)CCC3)cc1 40816091 AWXCCDFAEPBPTF-JJKYIXSRSA-N 489.572 5.255 50 10 JKGE CCCCCOc1ccc(/C=N/NC(=O)Nc2sc3c(c2C(=O)OCC)CCC3)cc1OC 40847059 BNFHLNISPBAUFM-MFKUBSTISA-N 473.595 5.147 50 10 JKGE CCCOc1ccc(/C=N/NC(=O)COc2cc(C)c(Br)cc2C(C)C)cc1OC 40910928 KWBUNFXNQFDNEZ-DHRITJCHSA-N 477.399 5.207 50 10 JKGE C=CCOc1ccc(-c2nn(-c3ccccc3)cc2/C=C(\C#N)c2nc3ccccc3[nH]2)cc1C 50838188 NDJMOCAKNOJPMT-OQKWZONESA-N 457.537 6.353 50 10 JKGE O=C(CC[C@H](O)c1ccccc1)N/N=C\c1ccc(OCc2ccccc2F)c(Br)c1 58889013 NTYAHGNIEBKEHV-CHVMBPBASA-N 485.353 5.131 50 10 JKGE COc1ccc(C(=O)Oc2ccc(/C=C(/C#N)C(=O)Nc3ccc(Cl)c(Cl)c3)cc2OC)cc1 59117543 VBIFXMLBKYIYPT-BOPFTXTBSA-N 497.334 5.775 50 10 JKGE Clc1cccc(C[C@H](Br)c2cc(Br)ccc2Br)c1 109844825 YTDHXTKAAAZODT-AWEZNQCLSA-N 453.399 6.544 50 10 JKGE COc1ccccc1C[C@H](Br)c1cc(Br)sc1Br 109870089 MXHJRUNPDQOVFF-JTQLQIEISA-N 455.009 5.960 50 10 JKGE CC/C(=C(\c1ccc(O)cc1)c1ccc(OC(=O)N(CCCl)CCCl)cc1)c1ccccc1 111450087 TYINIAMKDVXLFJ-QPLCGJKRSA-N 484.423 7.040 50 10 JKGE CCC(C)(C)c1ccc([C@H](Br)c2cc(Br)c(Br)s2)cc1 128569359 FSCYLFSTTHQRSP-AWEZNQCLSA-N 481.091 7.445 50 10 JKGE Cc1ccc(C)c(C[C@H](Br)c2cc(Br)c(C)cc2Br)c1 128817368 PVGJJDAWJCVUEJ-KRWDZBQOSA-N 461.035 6.816 50 10 JKGE Fc1cc([C@H](Br)c2cc(Br)sc2Br)c(F)cc1Cl 167720358 LIPFRUYHQYNBPO-JTQLQIEISA-N 481.381 6.689 50 10 JKGE CC(C)=C(/C=C\O[C@H](C)c1ccccc1)CO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C 195752860 DULZICHRUDRDGE-RDFHLOOISA-N 470.729 7.191 50 10 JKGE COc1cc(/C=C(/C#N)C(=O)NCc2ccco2)ccc1OC(=O)/C=C/c1ccc(C(C)C)cc1 206432262 GYSUMIDHRSYOCF-ZDOKOIINSA-N 470.525 5.254 50 10 JKGE CCCCCCN1C(=O)C(C#N)=C(C)/C(=C/c2ccc(OCc3ccc(C)cc3)c(OC)c2)C1=O 214246975 CCTHRMIURIRVIZ-JLPGSUDCSA-N 472.585 5.755 50 10 JKGE Cc1cc(I)ccc1NC(=O)/C(C#N)=C\N[C@H](C)c1ccc2c(c1)CCCC2 217253841 IJFDRAMHJXNHBG-ZHTGWBIJSA-N 485.369 5.175 50 10 JKGE COc1ccc(OC)c(-c2cc(C(=O)NN=Cc3c(C)cc(C)cc3C)c3ccccc3n2)c1 252616402 KADZONLCTFKNGR-UHFFFAOYSA-N 453.542 5.608 50 10 JKGE CC(=NNC(=O)C(O)(c1ccccc1)c1ccccc1)c1ccc(NC(=O)c2ccc(Cl)cc2)cc1 254452060 OXSYKMBLVXELOM-UHFFFAOYSA-N 497.982 5.369 50 10 JKGE CN(Cc1ccccc1)CC(C)(C)n1c(CCCl)nc2cc(Br)c(F)cc21 379619265 PZDHYSXKCYYCDL-UHFFFAOYSA-N 452.799 5.586 50 10 JKGE Fc1c(Br)cccc1[C@@H]1CN(Cc2ccccc2)C[C@@H]1CI 382684345 GPYYGMJIBGNUGV-GOEBONIOSA-N 474.155 5.239 50 10 JKGE CC(C)(C)OC(=O)N1C[C@H](CBr)[C@H](c2ccc(Br)c(Cl)c2)C1 382687609 MDAWXGCGKQRXDJ-RYUDHWBXSA-N 453.602 5.448 50 10 JKGE Cc1cc(F)c([C@H](Br)c2cc(Br)cc(Br)c2)cc1C 395839621 HDHJTSDEDYHVBJ-OAHLLOKOSA-N 450.971 6.452 50 10 JKGE Cc1oc(Br)cc1[C@@H](Br)c1cc(Br)c(Br)s1 396677135 UZZBWZXJZJYDLY-SECBINFHSA-N 493.840 6.421 50 10 JKGE ClCCc1nc2cc(I)ccc2n1Cc1csc(Br)c1 397355671 WCFNIHHTBAROGI-UHFFFAOYSA-N 481.584 5.295 50 10 JKGE CC(C)(C)[Si](C)(C)OCc1cccc([C@H]2COCCN(S(=O)(=O)c3ccccc3)C2)c1 616595371 VZHBBHKTVMHADS-JOCHJYFZSA-N 461.700 5.013 50 10 JKGE CC(C)(C)[Si](C)(C)OCCc1ccc([C@H]2CCN(CCO[Si](C)(C)C(C)(C)C)C2)cc1 616613073 XEKFPXVERQAOPQ-DEOSSOPVSA-N 463.855 7.062 50 10 JKGE FC(F)(F)c1cccc(Cl)c1[C@H](Cl)c1cc(Br)sc1Br 712577050 CWJKDFGGGRDKJG-SNVBAGLBSA-N 468.947 7.274 50 10 JKGE Cc1ccc([C@@H](Cl)c2scc(Br)c2Br)c(C)c1Br 719632661 ITDCUHUWPHVYAL-GFCCVEGCSA-N 473.455 6.981 50 10 JKGE N#C/C(=C/c1cc(Br)ccc1OCc1ccccc1)C(=O)Nc1cccc([N+](=O)[O-])c1 1084024275 BIKWUMQVWBEPDI-WQRHYEAKSA-N 478.302 5.482 50 10 JKGE C=CCc1cc(/C=C(\C#N)C(=O)NCCc2c[nH]c3ccccc23)cc(OC)c1OCc1ccccc1 1084161503 JTGRLDYXYWHFNW-YZSQISJMSA-N 491.591 5.750 50 10 JKGE C[C@]12CC[C@@H]3[C@H](CC=C4C[C@H](OC(=O)/C=C/c5ccccc5)CC[C@@]43C)[C@@H]1CCC2=NNC(N)=O 1084483336 NMEUWUBEWUDIDC-OZHORCMUSA-N 475.633 5.599 50 10 JKGE Cc1cccc(-n2c(C)cc(C=NNC(=O)c3ccc(CN4CCc5ccccc5C4)cc3)c2C)c1 1084601266 GQHOXUDSFDJPAE-UHFFFAOYSA-N 476.624 5.725 50 10 JKGE Cc1cc(C)cc(OC(=O)c2oc3c(c2C)C(=NNC(=O)c2cccc4ccccc24)CCC3)c1 1772748605 RNRHCJOZKXXPAZ-UHFFFAOYSA-N 466.537 6.048 50 10 JKGE CCOc1cc(C=NNC(=O)CSc2nc3ccccc3[nH]2)ccc1OCc1cccc(Cl)c1 1772760339 DJAXYANOVTVITA-UHFFFAOYSA-N 495.004 5.436 50 10 JKGE CCOc1c(OC)cccc1[C@@H]1C(C#N)=C(N)Oc2c1c(C(F)(F)F)nn2-c1cccc(Cl)c1 1865694409 XWBYEZQBEQJZFG-QGZVFWFLSA-N 490.869 5.170 50 10 JKGE Cc1ccc(-n2nc(-c3ccccc3)c3c2OC(N)=C(C#N)[C@H]3c2ccc(Cl)c([N+](=O)[O-])c2)cc1 1865706366 UZAONAOIHSMNFO-JOCHJYFZSA-N 483.915 5.628 50 10 JKGE CCCc1nn(Cc2ccc(Cl)c(Cl)c2)c2c1[C@H](c1ccc(O)c(OC)c1)C(C#N)=C(N)O2 1865706587 ZXJZHQKPKIKNIH-OAQYLSRUSA-N 485.371 5.123 50 10 JKGE Cc1nc(-c2ccc(F)c(F)c2)ccc1C(=O)NNC(=O)/C=C/c1ccc(OCc2ccccc2)cc1 1865757333 XVAGNOWFOPQYQY-CXUHLZMHSA-N 499.517 5.389 50 10 JKGE CC(C)c1nc(Nc2ccc(SC#N)cc2)cc(N2CCC(=O)c3cc(C(C)(C)C)ccc32)n1 1868231334 CYFHJLMXRPXDTD-UHFFFAOYSA-N 471.630 6.939 50 10 JKGE CCc1ccc(-c2csc(/C(C#N)=C(\O)[C@@H](CC(C)C)N3C(=O)c4ccccc4C3=O)n2)cc1 1872744584 ZCGQHVVKBHPSFC-KXNAUXDSSA-N 471.582 5.876 50 10 JKGE Cc1ccc(OC/C(O)=C(\C#N)c2nc(-c3ccc(Oc4ccccc4)cc3)cs2)cc1C 1872753904 TUSPJKUIUXKQAB-LCUIJRPUSA-N 454.551 7.091 50 10 JKGE Cc1ccc(OC/C(O)=C(\C#N)c2nc(-c3c(C)c(C)cc(C)c3C)cs2)c(C(C)(C)C)c1 1872754481 VKIXQDQONVOOQY-FLFQWRMESA-N 460.643 7.521 50 10 JKGE COc1cc(OC)c(-c2csc(/C(C#N)=C(\O)[C@@H](C)Oc3ccccc3C(C)C)n2)cc1Cl 1872756009 ACZWEXUKGXTFDY-LIDWSNAKSA-N 485.005 6.864 50 10 JKGE Cc1ccc(COc2ccc(/C=C(\C#N)c3nc(-c4ccc(-c5ccccc5)cc4)cs3)cc2)cc1 1872782894 VZKLWBDGVDNPKZ-VUTHCHCSSA-N 484.624 8.429 50 10 JKGE COc1ccc(OCCC/C(O)=C(\C#N)c2nc(-c3ccc(-c4ccccc4)cc3)cs2)cc1 1873940900 MJKSRBKBOQPPCP-RFBIWTDZSA-N 468.578 7.138 50 10 JKGE Fc1cc(Cl)c(Br)c(Cl)c1[C@H](Br)[C@@H]1C[C@H]1Br 1899469100 HBNQWLQYGKPLBA-TTWOZLTLSA-N 455.774 6.114 50 10 JKGE Cc1cc(Br)c([C@@H](Br)[C@@]23CC[C@@H](C2)[C@H](C)O3)cc1Br 1908098219 XEIGCPLABGHVHV-NBLIUIFLSA-N 453.012 5.914 50 10 JKGE C[C@@H]1CN(Cc2ccccc2)C[C@@H]1Cn1c(CCl)nc2c(Br)cc(F)cc21 1912655602 WXSZOGGHKWPZOM-GDBMZVCRSA-N 450.783 5.445 50 10 JKGE ClC[C@@H](C1CC1)N(Cc1ccccc1)Cc1cc(Cl)ccc1I 1915206754 AFOWDPWCLMLWAQ-IBGZPJMESA-N 460.186 5.964 50 10 JKGE Clc1ccc(C[C@@H](Br)c2scc(Br)c2Br)nc1 1918235063 ASRZEERUTNGBCJ-MRVPVSSYSA-N 460.416 6.000 50 10 JKGE Cc1ccc(C)c(C[C@@H](Br)c2sc(Br)cc2Br)c1 1922946847 WCCPDEIENBBOKZ-LLVKDONJSA-N 453.037 6.569 50 10 JKGE Clc1ccsc1[C@H](Br)c1c(Br)sc(Br)c1Cl 1923071881 LPSDJKCNWCLFJJ-RXMQYKEDSA-N 485.875 7.126 50 10 JKGE CC1(C)CC[C@@H]([C@@H](Cl)c2c(Br)sc(Br)c2Br)C1 1924572574 ZYRRMOLZVZDHOV-HZGVNTEJSA-N 465.476 7.142 50 10 JKGE COc1ccccc1C[C@H](Cl)c1c(Br)sc(Br)c1Br 1924596157 KAHOQHGWUJLPMK-QMMMGPOBSA-N 489.454 6.567 50 10 JKGE Clc1sc(Cl)c([C@H](Br)c2cccc(OCc3ccccc3)c2)c1Cl 1925599719 OMOJYPCXPXJHLE-OAHLLOKOSA-N 462.623 7.772 50 10 JKGE CCc1sc(Br)cc1[C@@H](Cl)c1scc(Br)c1Br 1943028773 YEHXRIKCUUTENO-SNVBAGLBSA-N 479.484 6.988 50 10 JKGE CC(C)(C)[C@H](CCBr)NC(=O)c1csc(Br)c1Br 2032954128 XEKUHUSBCIPTOR-QMMMGPOBSA-N 462.045 5.203 50 10 JKGE Cc1ccc([C@@H](Cl)c2csc(Br)c2Br)c(C)c1Br 2032958300 AFPYMGYQMDHXNB-GFCCVEGCSA-N 473.455 6.981 50 10 JKGE Cc1c(Br)sc([C@@H](Br)[C@@H]2CC23CCCCC3)c1Br 2039005326 HOROWUDRZHNGAN-ONGXEEELSA-N 457.069 6.988 50 10 JKGE C=CCn1c(C)cc(C(=O)C(C#N)=Cc2ccc(Sc3ccc(C)cc3)c([N+](=O)[O-])c2)c1C 2053511664 CNRBBQFYHKVAIY-UHFFFAOYSA-N 457.555 6.449 50 10 JKGE ClCc1cc(Br)cc(Br)c1OCc1cnsc1Br 2055663661 ILOWHBRQNGGZBX-UHFFFAOYSA-N 476.415 5.748 50 10 JKGE CN(C[C@H]1C[C@@H](Br)C1)C(=O)c1cc(NC(=O)OC(C)(C)C)ccc1Br 2076217524 VMFXANWGEISLMR-TXEJJXNPSA-N 476.209 5.042 50 10 JKGE COc1ccc(Cn2nc(CBr)c(Br)c2C(F)(F)F)c(Cl)c1 2079232489 XCWHZGVPUPPEQI-UHFFFAOYSA-N 462.491 5.270 50 10 JKGE COc1cc(Cl)c([C@@H](Br)c2coc(Br)c2)cc1Br 2082379501 KSDJXZSBMQSXQK-LBPRGKRZSA-N 459.359 5.951 50 10 JKGE Cc1cc(Cl)c([C@H](Br)c2ccc(F)cc2I)cc1Cl 2136695848 RCRLXLHSMDQGCI-CQSZACIVSA-N 473.938 6.530 50 10 JKGE Cl[C@H](c1ccc(-c2cccs2)s1)c1scc(Br)c1Br 2140969636 BEBUWDMIYHUQMF-GFCCVEGCSA-N 454.661 7.391 50 10 JKGE Fc1cc(Br)cc(CCl)c1OCc1ccc(Br)cc1Br 2148685121 LIXOWYVHPZFGCW-UHFFFAOYSA-N 487.388 6.431 50 10 JKGE O=C(c1cccc(Br)c1Br)N(CCBr)C1CCCCC1 2148771424 TXUPGOKIQUHVIG-UHFFFAOYSA-N 468.027 5.381 50 10 JKGE O=S(=O)(c1ccc(Br)c(CCl)c1)N(Cc1ccccc1)CC1CCCCC1 2152151971 BDOJRLGQWXHWGI-UHFFFAOYSA-N 470.860 5.959 50 10 JKGE CC(C)(C)OC(=O)NC[C@@H]1C[C@H](C(F)(F)F)CCN1CC1(CBr)CCCC1 2163837151 PWNRSJGOTNFMMZ-CABCVRRESA-N 457.375 5.109 50 10 JKGE CN(C(=O)c1c(Br)cccc1Br)[C@H]1CCCCC[C@@H]1Br 2172543331 KFIVGBBUEHYHNW-GWCFXTLKSA-N 468.027 5.380 50 10 JKGE FC(F)(F)C1([C@@H](Cl)c2c(Br)sc(Br)c2Cl)CCCCC1 2173212279 JRAUHDMUTXXHRR-QMMMGPOBSA-N 474.995 7.719 50 10 JKGE O=C(NC12CCC(CBr)(CC1)C2)c1cc(Br)ccc1Br 2189331986 SYCLBVKTYRIVSU-UHFFFAOYSA-N 466.011 5.039 50 10 JKGE Cc1cc(Br)c([C@H](Br)[C@@H]2C[C@H]2C2CCCCC2)cc1Br 2199992123 BQGUHFKDXMTOJO-OGHNNQOOSA-N 465.067 7.172 50 10 JKGE Cc1ccc(Br)c([C@@H](Br)c2c(Br)cc(F)c(Cl)c2F)c1 2201616333 ASPQEBNWFRTQPQ-GFCCVEGCSA-N 489.379 6.936 50 10 JKGE Cc1c(Br)sc([C@H](Cl)[C@]23CCC[C@@H]2CS(=O)(=O)C3)c1Br 2201879440 NMVIOBSJQMJJPV-WLTAIBSBSA-N 462.656 5.076 50 10 JKGE CCn1cc(Br)c([C@@H](Br)c2cc(Br)cc(Cl)c2OC)n1 2203001131 PGYCCSZWBAPQSP-NSHDSACASA-N 487.417 5.574 50 10 JKGE CCC[C@@H]1CN(C(=O)c2c(Br)cccc2Br)C[C@H]1CBr 2205683355 NJLDUGJHAKUGSN-GHMZBOCLSA-N 468.027 5.095 50 10 JKGE Br[C@H](c1ccc(I)cc1)c1ccc(-c2ccccc2)s1 2206131001 PEDIYIZLMQRLBT-QGZVFWFLSA-N 455.158 6.504 50 10 JKGE Cc1sc(Br)c(C)c1[C@@H](Br)c1ccc(Cl)c(Br)c1 2218799252 DOVKHAVSNAHCDW-LBPRGKRZSA-N 473.455 7.028 50 10 JKGE Cc1sc(Br)c(C)c1[C@H](Cl)c1cc(Br)cc(Br)c1 2218805986 PTIHGKQBLOQUEE-GFCCVEGCSA-N 473.455 6.981 50 10 JKGE Cc1cc(Br)c([C@@H](Br)CCC(F)(F)F)c(C)c1Br 2220145196 CRGANBCOUILFFE-QMMMGPOBSA-N 452.934 6.607 50 10 JKGE Cc1cc([C@H](Br)c2cc(C)c(Br)c(C)c2)sc1Br 2220199431 AZZKWHLDFWRROZ-CYBMUJFWSA-N 453.037 6.683 50 10 JKGE CC[C@@H](C)[C@H](CI)NCc1c(Br)sc2ccccc12 2224703170 WQTQQTVOPVNGFY-MFKMUULPSA-N 452.199 5.603 50 10 JKGE Fc1cc(Br)c(Br)cc1[C@H](Br)C1[C@H]2[C@H]3CC[C@@H](C3)[C@H]12 2225618158 XUSQOHCQQRAHBN-IWCVWODYSA-N 452.987 6.079 50 10 JKGE Fc1cc(Br)c(Br)cc1[C@H](Br)C1CC2(CCCC2)C1 2225620539 VZXFZPPMHLSGRR-CQSZACIVSA-N 455.003 6.757 50 10 JKGE CC(C)(CC(F)(F)F)[C@H](Br)c1c(Br)cc(Cl)c(Cl)c1Cl 2232519569 KYGQLURZZAEIIB-SNVBAGLBSA-N 477.373 7.824 50 10 JKGE CCOCc1cc(Br)c([C@H](Cl)c2cccc(C)c2I)s1 2233008475 IDZBJYINUUYNEJ-CYBMUJFWSA-N 485.612 6.288 50 10 JKGE COc1ccc(C)c([C@H](Br)c2cc(Br)c(Br)cc2F)c1 2233981270 GJGYYXDKADGDOQ-HNNXBMFYSA-N 466.970 6.152 50 10 JKGE Cc1cc(Br)c([C@@H](Br)[C@@H]2C[C@@H]3CC[C@H](C2)O3)c(C)c1Br 2235608779 LSTCPSNGMQELHF-BUWBCJGYSA-N 467.039 6.222 50 10 JKGE Cc1cc(Br)c([C@H](Br)C[C@@H]2CCCOCC2)c(C)c1Br 2235613758 ARERTOKICLJQED-TZMCWYRMSA-N 469.055 6.471 50 10 JKGE COc1cc(Br)c([C@@H](Br)c2cc(Cl)cc(Br)c2)cc1C 2236011566 SNKMFYWQSDJKJL-HNNXBMFYSA-N 483.425 6.666 50 10 JKGE COc1cc(Br)c([C@@H](Cl)c2ccc(C)c(I)c2)cc1C 2236013164 VRPGHKLFCOZLMP-INIZCTEOSA-N 465.556 6.007 50 10 JKGE CC(C)CCC[C@@H](C)CCO[C@](C)(CI)CNC(=O)OC(C)(C)C 2248814994 FUVNXXXZSSWHRZ-VQIMIIECSA-N 455.421 5.574 50 10 JKGE COc1ccc([C@@H](Br)c2cscc2Br)c(Br)c1Cl 2256326510 BWIXYNCXOWCRJB-SNVBAGLBSA-N 475.427 6.419 50 10 JKGE Cc1sc([C@H](Cl)c2ccc(Cl)c(I)c2)c(C)c1Br 2256336409 MSGRPOCECTVMOH-GFCCVEGCSA-N 476.004 6.714 50 10 JKGE COc1cc(C)c(Br)c(C)c1[C@H](Br)c1cc(Br)sn1 2269599330 WJGJRZNNEAUJOV-CYBMUJFWSA-N 470.024 5.778 50 10 JKGE CCC[C@H](C(C)C)[C@@H](Br)c1c(F)cc(Br)c(F)c1Br 2272855233 KQQJHEVDIKUKNS-PRHODGIISA-N 462.998 6.998 50 10 JKGE CC1(C)CCC[C@@H]([C@H](Br)Cc2cc(Br)cc(Br)c2)C1 2277966538 UDVRKKOCAHCDRL-IUODEOHRSA-N 453.056 6.734 50 10 JKGE Brc1cccc(Br)c1CN1C[C@H](Br)C[C@H]2CCCC[C@@H]21 2279527987 FIKCTXHCBFNMJE-HSMVNMDESA-N 466.055 5.740 50 10 JKGE COc1ccc([C@@H](Br)Cc2cccc(Cl)c2F)cc1I 2285001488 HAWXNBVJAYUJDR-NSHDSACASA-N 469.519 5.771 50 10 JKGE C=CC[C@@]1(CBr)CCCCN1C(=O)c1cc(Br)sc1Br 2287752551 NHWOMIZHQRYQOL-AWEZNQCLSA-N 486.067 5.609 50 10 JKGE Fc1cc(Br)c(F)c(Br)c1[C@H](Br)C1CC2(CCCC2)C1 2288348099 BLQRLGUQWVWTEA-GFCCVEGCSA-N 472.993 6.896 50 10 JKGE CCCCCOC(=O)c1ccc(NC(=O)C(C#N)=Cc2ccc(OC(=O)c3ccccc3)cc2)cc1 2293038471 FJFCIWMOJBMEER-UHFFFAOYSA-N 482.536 5.798 50 10 JKGE CCCOc1ccccc1C=C(C#N)C(=O)Nc1ncc(Cc2cccc(Cl)c2Cl)s1 2293038785 ZLQYWNQSSGBJKB-UHFFFAOYSA-N 472.397 6.375 50 10 JKGE CN(C(=O)c1csc(Br)c1Br)[C@@H](CBr)c1ccccc1 2296312425 DQOYFPSCDHACHS-NSHDSACASA-N 482.035 5.481 50 10 JKGE N#CC(=CNc1cccc(C(F)(F)F)c1)c1nc(-c2cc3c(ccc4ccccc43)oc2=O)cs1 2296751348 VZAMNRCBRBCRNW-UHFFFAOYSA-N 489.478 7.065 50 10 JKGE Cc1ccc(NC(=O)C(C#N)=Cc2cn(Cc3ccc(Cl)c(Cl)c3)c3ccccc23)c(C)c1 2297561980 QLMLXHITTQHDAP-UHFFFAOYSA-N 474.391 7.159 50 10 JKGE Cc1csc([C@@H](Br)c2ccc(OCc3ccccc3)cc2Br)c1C 2299495536 LKYFAEVZRDAWQY-IBGZPJMESA-N 466.238 7.191 50 10 JKGE CC[C@H](CC(F)(F)F)[C@@H](Br)c1sc(Cl)cc1I 2300996932 BGRGHIUOXFDOPP-SVGQVSJJSA-N 461.512 6.421 50 10 JKGE FC1(F)[C@@H]([C@H](Br)c2sc(Cl)cc2I)C12CCC2 2301086493 OMWWEOGHKVWFJL-APPZFPTMSA-N 453.517 5.878 50 10 JKGE COc1cc(C=C(C#N)C(=O)Nc2ccc(C)cc2)cc(Cl)c1OCc1ccc(Cl)cc1 2313568167 OZPUJHVONWIOLC-UHFFFAOYSA-N 467.352 6.435 50 10 JKGE CC12CC([C@H](Br)c3ccc(OCc4ccccc4)cc3Br)(CCO1)C2 2314441270 XMRYDEHPNSRLMO-QNGMFEMESA-N 466.213 6.423 50 10 JKGE N#CC(=Cc1ccccc1OCC(=O)Nc1ccccc1)C(=O)Nc1sc2c(c1C#N)CCCC2 2314486660 AQMMNGMVQLONMR-UHFFFAOYSA-N 482.565 5.062 50 10 JKGE CCOC(=O)c1ccc(NC(=O)C(C#N)=Cc2ccc(-c3cc(Cl)cc(Cl)c3)o2)cc1 2314571344 FCAVCLSEAYDQFQ-UHFFFAOYSA-N 455.297 5.976 50 10 JKGE CCOC(=O)c1ccc(NC(=O)C(C#N)=Cc2ccc(-c3cc(C(F)(F)F)ccc3Cl)o2)cc1 2314572354 ZBTUCJWYXZEDDX-UHFFFAOYSA-N 488.849 6.341 50 10 JKGE C=CCNC(=O)C(C#N)=C1S[C@H](Cc2ccc(CCCC)cc2)C(=O)N1c1ccc(CC)cc1 2314593856 UYDPBNJONCRAOS-RUZDIDTESA-N 473.642 5.320 50 10 JKGE CCCCCCOc1ccc(C=C2C(=O)N(Cc3ccc(F)cc3)C(=O)C(C#N)=C2C)cc1OC 2314619825 FZYLFJYMBPIJBN-UHFFFAOYSA-N 476.548 5.586 50 10 JKGE CSc1ccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)C=Cc4ccccc4Cl)ccc32)cc1 2314634378 JYMOPMNSYFXYKD-VWLOTQADSA-N 474.969 5.899 50 10 JKGE CCOc1ccc(C=C(C#N)C(=O)Nc2nc(-c3ccc4c(c3)CCCC4)cs2)cc1OC 2314793227 OSCGYIIFEGSEFP-UHFFFAOYSA-N 459.571 5.642 50 10 JKGE C[C@@H]1CC[C@@](C)([C@@H](Br)c2sc(Cl)cc2I)C1(C)C 2316607950 WXZJPIOBNZPJDK-XOZVTBISSA-N 461.634 6.905 50 10 JKGE CC1(C)CC[C@H](CBr)N1Cc1ccc(I)c(Br)c1 2325214151 XUJDNVASTYEXBW-LLVKDONJSA-N 487.017 5.192 50 10 JKGE CC1CC(CBr)(COCc2ccc(I)c(Br)c2)C1 2325385531 BUFRJFYGBJDXHL-UHFFFAOYSA-N 488.001 5.382 50 10 JKGE CCCCCCCOc1ccc(-c2csc(C(C#N)=C(O)[C@@H]3CC(=O)N(C(C)C)C3)n2)cc1 2331345370 HBBKKGCBHYYUGF-HXUWFJFHSA-N 467.635 6.209 50 10 JKGE COc1cc(-c2csc(C(C#N)=C(O)c3ccc(C(C)(C)C)cc3)n2)c(OC)cc1Cl 2331377376 QJGDCAUWIWUKLY-UHFFFAOYSA-N 454.979 6.728 50 10 JKGE Cc1ccc(C(C)(C)C)cc1-c1csc(C(C#N)=C(O)C(c2ccccc2)c2ccccc2)n1 2331394695 LWXLEWLTMMLONX-UHFFFAOYSA-N 464.634 8.041 50 10 JKGE Brc1ccc(OCc2ccccc2)c([C@H](Br)c2ccc3scnc3c2)c1 2336054838 VJDHMZXCNZJXMJ-OAQYLSRUSA-N 489.232 7.122 50 10 JKGE Cc1cc([C@H](Br)c2c(Br)c(Br)nn2C)c(C)cc1F 2338861284 QNJRURANXFFCAG-JTQLQIEISA-N 454.963 5.185 50 10 JKGE Cc1cc(Br)c(F)c(Br)c1[C@@H](Br)[C@@H]1CCC[C@@H]2C[C@@H]21 2339654270 QYQSBAPUVKCLRV-DNJQJEMRSA-N 455.003 6.531 50 10 JKGE COc1c(Br)cc(C)c([C@H](Br)[C@@H]2CC[C@H](C)O2)c1Br 2339659566 UIJOYLWDBWFHGJ-PTOFAABTSA-N 457.000 5.532 50 10 JKGE Cc1cc(F)c([C@H](Br)c2ccc(Cl)cc2I)cc1Cl 2340064270 FDCAQJOWCWKARH-CQSZACIVSA-N 473.938 6.530 50 10 JKGE Clc1ccc(CN2CCC[C@H](CCCBr)C2)c(I)c1 2341024495 HVCMVUQBWZCYHB-LBPRGKRZSA-N 456.593 5.332 50 10 JKGE Clc1ccc(I)cc1CC[C@H](Br)CN1CCCCC1 2352415880 NRZVORJSORIBNT-ZDUSSCGKSA-N 456.593 5.127 50 10 JKGE Fc1c(Br)cc(Cl)c([C@H](Br)C[C@H]2CCC23CCC3)c1Br 2362227795 JLCXGCVPEHEZIE-RKDXNWHRSA-N 489.448 7.411 50 10 JKGE Clc1ccc(I)c(C[C@]2(CBr)C[C@H]3C=C[C@H]2CCC3)c1 2363958059 KWVJCBLFCYCWKX-MRRJBJDNSA-N 465.600 6.245 50 10 JKGE CCCC(CBr)(CCC)COCc1ccc(Cl)cc1I 2365628174 JLEZDMFHGHPWIA-UHFFFAOYSA-N 473.620 6.443 50 10 JKGE Cc1cc(Cl)c([C@@H](Cl)c2ccc(Br)c(C)c2Br)c(Cl)c1 2381320415 VUZYBCOZVGGKSN-HNNXBMFYSA-N 457.420 7.463 50 10 JKGE Cc1cc([C@H]2C(C#N)=C(N)N(c3ccc([N+](=O)[O-])cc3)C3=C2C(=O)C[C@@H](c2ccccc2)C3)c(C)s1 27550721 PXPBCEADYHOYNE-SIBVEZHUSA-N 496.592 5.972 50 10 JKGE COc1cc(/C=C(/C#N)c2ccc(Cl)cc2)ccc1OC(=O)/C=C/c1cccc([N+](=O)[O-])c1 33377658 GTWFZCBOEPPKSF-SBHFKWNXSA-N 460.873 5.940 50 10 JKGE CCCCCCOc1ccc(/C=C(/C#N)C(=O)Nc2sc3c(c2C(N)=O)CCCC3)cc1OC 33377858 XVIUELCBUSTERK-JXAWBTAJSA-N 481.618 5.239 50 10 JKGE CCCCOc1cccc(-c2nn(-c3ccccc3)cc2/C=C(\C#N)C(=O)N2CCCCC2)c1 35446832 BLFRADFSVDNXFJ-PTGBLXJZSA-N 454.574 5.638 50 10 JKGE N#CC1=C(N)Oc2cc(OC(=O)COc3ccc(Cl)cc3Cl)ccc2[C@H]1c1cccs1 38656258 SEIUVFSYUPWPDU-OAQYLSRUSA-N 473.337 5.257 50 10 JKGE CCCCOc1cccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4ccc(OCC)cc4)ccc32)c1 38685135 CZEUFOPPQLHYKE-MHZLTWQESA-N 484.552 5.702 50 10 JKGE Cc1c(C(=O)Nc2ccc(Cl)c(Cl)c2)oc2c1/C(=N/NC(=O)c1ccccc1)CCC2 40804096 ZXLYJPTZBDJASH-OVVQPSECSA-N 456.329 5.618 50 10 JKGE Cc1ccc(NC(=O)c2oc3c(c2C)/C(=N/NC(=O)c2cccc4ccccc24)CCC3)cc1 40813605 NXIRCSVTYQNXFN-JJKYIXSRSA-N 451.526 5.772 50 10 JKGE COc1cc(/C=N/NC(=O)COc2ccc(Cl)c(C)c2)ccc1OCc1ccccc1Cl 40846834 TZTLIKMQHVKVGV-UVHMKAGCSA-N 473.356 5.419 50 10 JKGE BrC[C@@H](Cc1ccc(I)cc1)Cc1cccc(Br)c1 97184885 FRKRHAUFNJSMAR-AWEZNQCLSA-N 494.008 5.850 50 10 JKGE ClCc1nc2cc(Br)cnc2n1-c1ccc(Br)cc1Br 98040138 GXACIHUBZOJNOG-UHFFFAOYSA-N 480.385 5.447 50 10 JKGE Fc1cccc(Cl)c1C[C@H](Br)c1cc(Br)sc1Br 109870072 ZDSAKLPOHXUACN-QMMMGPOBSA-N 477.418 6.744 50 10 JKGE C[C@H](Cl)c1nc2cc(Br)ccc2n1-c1ccc(Br)cc1Br 110429304 KPYOMLXMELKESE-QMMMGPOBSA-N 493.424 6.613 50 10 JKGE COc1ccc(Br)cc1[C@@H](Br)c1csc(I)c1 123457906 ZLFUORXPKRRCEH-LBPRGKRZSA-N 487.982 5.608 50 10 JKGE Fc1cc(Br)cc(COc2c(Br)cccc2CBr)c1 124816596 SCXZNJSRNLDTHU-UHFFFAOYSA-N 452.943 5.825 50 10 JKGE CCOc1cc(Cl)c([C@H](Br)c2cc(C)c(Br)s2)cc1Cl 164581011 ZSSGVUYFFBEMGO-ZDUSSCGKSA-N 459.030 7.009 50 10 JKGE CCCOc1ccc(/C=N/NC(=O)Nc2sc3c(c2C(=O)OCC)CC[C@@H](C)C3)cc1OC 206220837 FMPTYHSJLXKYOW-PVLQNKMRSA-N 473.595 5.003 50 10 JKGE CCCOc1ccc([C@@H](Br)c2cc(C)ccc2Br)cc1Br 229008167 TVBUTWNXHGPYIT-QGZVFWFLSA-N 477.034 6.793 50 10 JKGE Brc1cc2c(cc1[C@H](Br)c1ccoc1Br)OCCO2 232483982 QZBDKICMTGTCOD-GFCCVEGCSA-N 452.924 5.060 50 10 JKGE COc1ccc(C=NNC(=O)C(C)(C)Oc2ccc(Cl)cc2)cc1COc1ccccc1C 252634193 WKWZDLDZRYFOFO-UHFFFAOYSA-N 466.965 5.544 50 10 JKGE COc1cc(C=NNC(=O)COc2ccc(-c3ccccc3)cc2)ccc1OC(=O)c1ccccc1 254348333 CAQGPKSGDBITJF-UHFFFAOYSA-N 480.520 5.111 50 10 JKGE CCOc1ccc(C(=O)Oc2ccc3ccccc3c2C=NNC(=O)Cc2ccccc2)cc1 254594499 TUNHRMNGYONVCA-UHFFFAOYSA-N 452.510 5.151 50 10 JKGE CC(=NNC(=O)c1ccc(NS(=O)(=O)c2cccs2)cc1)c1ccc(C(C)(C)C)cc1 254628533 DKDMNUACOWYTOZ-UHFFFAOYSA-N 455.605 5.000 50 10 JKGE CCCOc1ccc(C(=O)NN=Cc2c(OC(=O)c3ccc(C)cc3)ccc3ccccc23)cc1 254765949 NVNZJIDNOKUCAM-UHFFFAOYSA-N 466.537 5.920 50 10 JKGE Cc1cccc(C(=O)Oc2ccc3ccccc3c2C=NNC(=O)Cc2cccc3ccccc23)c1 254875887 DZBIZQKZWAYECQ-UHFFFAOYSA-N 472.544 6.213 50 10 JKGE C=C(C)c1cccc(C(C)(C)NC(=O)NN=Cc2ccc(OCc3ccccc3Cl)c(OC)c2)c1 256017168 TZRORQZDRJCGOR-UHFFFAOYSA-N 492.019 6.529 50 10 JKGE CCc1ccc([C@@H](Cl)c2cc(Br)ccc2I)cc1CC 300478230 WSNXWRDBCVWTCS-QGZVFWFLSA-N 463.584 6.507 50 10 JKGE Fc1cc(Br)cc([C@@H](Br)c2scc(C(F)(F)F)c2Br)c1 380082341 BAPJBTMABYPZQO-SECBINFHSA-N 496.943 6.915 50 10 JKGE Brc1ccc([C@H]2CN(Cc3ccccc3)C[C@H]2CI)cc1 382728293 SEGLTKZPKRHKMT-SJLPKXTDSA-N 456.165 5.100 50 10 JKGE C[C@@]1(Cn2c(CCl)nc3cc(F)c(Br)cc32)CCN(Cc2ccccc2)C1 383626261 HSQBZMZMHMINQE-OAQYLSRUSA-N 450.783 5.589 50 10 JKGE Cc1cc2nc(CCCl)n(CC3(N(Cc4ccccc4)Cc4ccccc4)COC3)c2cc1C 705859581 AOCBQPOXSBJXNI-UHFFFAOYSA-N 474.048 5.906 50 10 JKGE CCOc1cc(C=NNC(=O)c2cc3ccccc3o2)cc(Cl)c1OCc1ccc(Cl)cc1 1084042901 PAZCKOBVRAFPKZ-UHFFFAOYSA-N 483.351 6.481 50 10 JKGE COc1cc(/C=C(\C#N)C(=O)Nc2cccc(Cl)c2Cl)ccc1OCc1ccc(C(=O)O)cc1 1084425081 ZCNDCJLRVUZSSI-WOJGMQOQSA-N 497.334 5.825 50 10 JKGE CC[C@@H]1CCc2sc(-c3nnc(SCC(=O)/C(C#N)=C4\Nc5ccccc5N4C)n3C)cc2C1 1087642196 CYZXFJYZQPMBFB-UBJVEFMGSA-N 490.658 5.017 50 10 JKGE CCOc1ccc([C@@H]2CN(C(=O)OCc3ccccc3)C[C@@H]2CBr)cc1OCC 1614624299 PKHFCHGNONHGIJ-PMACEKPBSA-N 462.384 5.231 50 10 JKGE Cc1c(C(=O)N2CCCC[C@H]2C)oc2c1C(=NNC(=O)c1ccc(Cl)cc1Cl)CCC2 1772749310 ZQQBVYXYRWGREV-CYBMUJFWSA-N 462.377 5.380 50 10 JKGE Cc1cc(OCC(=O)NN=Cc2ccccc2OCc2ccccc2)c(C(C)C)cc1Br 1772754535 XYDOPSIIXSVAOR-UHFFFAOYSA-N 495.417 5.989 50 10 JKGE CCOc1ccc(Br)cc1C=NNC(=O)[C@@H](C)Oc1cc(C)c(Cl)c(C)c1 1772755654 BYDDDQZXZARCET-CQSZACIVSA-N 453.764 5.036 50 10 JKGE CCCOc1ccc(/C=C/C(=O)Nc2cccc(C(=O)Nc3ccc(SC#N)cc3)n2)cc1 1860568078 DUWRNXKOCRTOCX-OVCLIPMQSA-N 458.543 5.348 50 10 JKGE CC(C)(C)c1ccc([C@H]2C(C#N)=C(N)Oc3c2c(-c2ccccc2)nn3-c2cccc3ccccc23)cc1 1865682437 OHLATHMZOVNVRA-NDEPHWFRSA-N 496.614 7.208 50 10 JKGE CCOc1c(OC)cccc1[C@@H]1C(C#N)=C(N)Oc2c1c(-c1ccccc1)nn2Cc1ccccc1F 1865692812 IMUIZCXPULGNAT-XMMPIXPASA-N 496.542 5.363 50 10 JKGE CCCCOc1ccc([C@H]2C(C#N)=C(N)Oc3c2c(C(F)(F)F)nn3Cc2ccccc2)cc1OC 1865697538 VYXNRWMUBMMPSX-NRFANRHFSA-N 498.505 5.356 50 10 JKGE CCc1nn(CC)c2c1[C@H](c1ccc(OCc3ccc(Cl)cc3Cl)cc1)C(C#N)=C(N)O2 1865701533 XPDCKQXYNLUIJQ-OAQYLSRUSA-N 469.372 5.569 50 10 JKGE COc1ccc(-c2nn(-c3ccc(OC)cc3)c3c2[C@H](c2ccccc2C)C(C#N)=C(N)O3)cc1 1865713279 VONDZLJBHMMJQB-XMMPIXPASA-N 464.525 5.083 50 10 JKGE Cc1ccc(-n2nc(-c3ccccc3)c3c2OC(N)=C(C#N)[C@H]3c2ccc(Br)cc2)cc1 1865715212 ZFRVCGGDIPRSID-JOCHJYFZSA-N 483.369 5.828 50 10 JKGE Cc1ccccc1-c1nc(CC(=O)N[C@@H](C(=O)Nc2ccc(SC#N)cc2)c2ccccc2)c(C)o1 1866643134 MRUSBJKEBYDVCF-AREMUKBSSA-N 496.592 5.570 50 10 JKGE CC[C@H](C(=O)N[C@H](Cc1ccccc1)C(=O)Nc1ccc(SC#N)cc1)c1ccc(Cl)cc1 1866955349 LJKNHFVHBLQQFD-BJKOFHAPSA-N 478.017 5.773 50 10 JKGE COc1ccc(-c2csc(/C(C#N)=C(\O)CCCCCNC(=O)c3ccccc3)n2)cc1C 1872746822 ZQDZQXSVOKGNCY-LNVKXUELSA-N 461.587 5.910 50 10 JKGE COc1cc(/C=C(\C#N)c2nc(-c3cccc(Cl)c3)cs2)ccc1OCCc1ccccc1 1872790182 PYQDNOOWVOEBOO-HYARGMPZSA-N 472.997 7.158 50 10 JKGE CCCCCOc1ccc(/C=C(\C#N)c2nc(-c3ccc(OCC)cc3)cs2)cc1OCC 1872790296 YBFDUBBPTMROJZ-CJLVFECKSA-N 462.615 7.241 50 10 JKGE N#C/C(=C(/O)c1ccc(Cl)cc1[N+](=O)[O-])c1nc(-c2ccc(-c3ccccc3)cc2)cs1 1873940749 FTKGESIILGFFPI-ATJXCDBQSA-N 459.914 6.989 50 10 JKGE CN(CC1CC(Br)C1)C(=O)c1cc(Cl)c(NC(=O)OC(C)(C)C)c(Cl)c1 1887829731 MWLRCJMKKAVPQI-UHFFFAOYSA-N 466.203 5.586 50 10 JKGE COc1cc(Br)ccc1C(=O)N(Cc1ccccc1)[C@H](C)CCBr 1915083029 UCUDRGPCNBJFSL-CQSZACIVSA-N 455.190 5.274 50 10 JKGE Cc1cccc([C@H](Br)c2sc(Br)c(C)c2Br)c1C 1922946989 XQDZMOPDQLWRGD-LBPRGKRZSA-N 453.037 6.683 50 10 JKGE Clc1c(Br)sc(Br)c1[C@@H](Cl)c1ccc(Br)s1 1923048045 DYYSSEBNPBZMBY-LURJTMIESA-N 485.875 7.079 50 10 JKGE COC1(C[C@H](Br)c2c(Br)sc(Br)c2Cl)CCC1 1923049833 OEVUCKYWUCUCEI-LURJTMIESA-N 467.448 6.322 50 10 JKGE FC1(F)[C@H]([C@@H](Cl)c2c(Br)sc(Br)c2Br)C12CCCC2 1924569247 SAVQGTHTMIJLCD-JGVFFNPUSA-N 499.440 7.141 50 10 JKGE CC1(C)C(C)(C)C1(C)[C@@H](Cl)c1c(Br)sc(Br)c1Br 1924614764 QTXPVYCQXBHDDU-QMMMGPOBSA-N 479.503 7.388 50 10 JKGE FC(F)(F)C1([C@@H](Cl)c2c(Br)sc(Br)c2Br)CC1 1924615217 XVSVQDIXDUSHHY-YFKPBYRVSA-N 477.365 6.658 50 10 JKGE Clc1ccc(C[C@H](Br)c2csc(Br)c2Br)cc1 1945187096 REMCLMDCNAAJQS-JTQLQIEISA-N 459.428 6.605 50 10 JKGE CO[C@@H]1C[C@]2([C@H](Br)c3c(Br)sc(Br)c3Cl)C[C@@H]12 1951245773 JWTAUHFPIHSMTJ-VHTKCDHQSA-N 465.432 5.788 50 10 JKGE COc1cc(Br)c(C)cc1[C@@H](Br)c1cscc1Br 2029262372 JYCVDTQSVRCFRQ-CYBMUJFWSA-N 455.009 6.074 50 10 JKGE COC1CC(CC[C@H](Cl)c2c(Br)sc(Br)c2Br)C1 2042742793 NGPBETYSNBIWIL-RRQHEKLDSA-N 481.475 6.521 50 10 JKGE O=C(NC1(CCCBr)CCC1)c1csc(Br)c1Br 2084965207 AJKMCRMAMAGZNH-UHFFFAOYSA-N 460.029 5.101 50 10 JKGE BrCc1cc(Br)ccc1N1CCCN(Cc2ccccc2)CCOCC1 2088627322 BGUUIBPJRGYGAU-UHFFFAOYSA-N 482.260 5.073 50 10 JKGE CCc1nn(-c2ccc(CBr)c(Cl)c2)c(CC)c1I 2093920182 ZJMROOMMTMXNQQ-UHFFFAOYSA-N 453.549 5.150 50 10 JKGE FC1(F)C[C@]12CC[C@H]([C@H](Cl)c1c(Br)sc(Br)c1Br)C2 2099913887 BKSVJOWQMFOTHQ-HCPJGSBBSA-N 499.440 7.141 50 10 JKGE BrC[C@@H]1C[C@@H]2CCC[C@H]2N1Cc1ccc(Br)cc1Br 2108391093 HFQFDDMBRSGPFV-VZJVUDMVSA-N 452.028 5.350 50 10 JKGE Fc1cc([C@@H](Br)c2c(Cl)cccc2Br)c(F)cc1Br 2113158415 FMOXOCWWCGNYRE-CYBMUJFWSA-N 475.352 6.628 50 10 JKGE Cn1ncc2cc([C@@H](Br)c3c(Cl)sc(Br)c3Cl)sc21 2118610184 DSWALNMYBZCLSC-SSDOTTSWSA-N 461.031 6.250 50 10 JKGE COCc1ccc([C@H](Br)c2sc(Br)c(C)c2Br)cc1 2134742095 PMNPTKQFEZGKKP-LBPRGKRZSA-N 469.036 6.212 50 10 JKGE COc1c(Cl)cc(Br)cc1[C@H](Br)c1c(C)nsc1Br 2138254459 HHTHYHPKVWMOBC-JTQLQIEISA-N 490.442 6.123 50 10 JKGE Brc1ccc([C@H](Br)[C@]23CCCC[C@H]2CCC3)c(Br)c1 2138862787 HCEYFSKTLWEUBP-UVBJJODRSA-N 451.040 7.008 50 10 JKGE Clc1cc(C[C@@H](CBr)c2ccccc2Cl)ccc1I 2142940361 NEECVHKUQAQHNU-NSHDSACASA-N 469.975 6.319 50 10 JKGE O=C(N[C@@H]1CCCC[C@H]1CCBr)c1ccc(Br)cc1Br 2146720032 QUJBHRSOVSDLBD-IINYFYTJSA-N 468.027 5.285 50 10 JKGE Cc1cc(Br)cc(CBr)c1OCc1cccc(Br)c1Cl 2166827493 UIJRBOHTADDZCC-UHFFFAOYSA-N 483.425 6.647 50 10 JKGE Cc1cc(Br)c([C@@H](Br)[C@]2(C)CCCCC2(F)F)cc1Br 2167934367 BAZGRRSXLKLQOS-KGLIPLIRSA-N 475.009 7.172 50 10 JKGE Cc1c([C@H](Br)c2scc(C(F)(F)F)c2Br)nn(C)c1Br 2168216486 UUPYKQLAFAROHZ-ZETCQYMHSA-N 496.972 5.818 50 10 JKGE FC(F)(F)C1([C@@H](Br)c2cc(Br)ccc2Br)CCCCC1 2173210864 PVMCOLJDHMUILR-LBPRGKRZSA-N 478.972 7.160 50 10 JKGE C[C@@H]1C[C@@H](n2c([C@@H](C)Cl)nc3cc(I)ccc32)CN(Cc2ccccc2)C1 2184260843 PRCWEHGCZDQJAZ-GPMSIDNRSA-N 493.820 6.024 50 10 JKGE CC[C@@H](N)Cc1cc(Br)c(OCC2CC(Br)C2)c(Br)c1 2196937966 MWHOTSWGTBZLNX-HTAVTVPLSA-N 470.043 5.044 50 10 JKGE Cc1cc(Br)c(C)c([C@@H](Br)[C@H](CC(C)C)C(C)C)c1Br 2201063213 CGAYHTCEQPOCGS-DYVFJYSZSA-N 469.099 7.583 50 10 JKGE Cc1cc(Br)c(C)c([C@H](Br)Cc2ccc(Cl)cc2)c1Br 2201068198 DGHCYWJBSVJLMM-CQSZACIVSA-N 481.453 7.161 50 10 JKGE Cc1cc(Br)c(C)c([C@H](Br)C2C[C@H]3[C@H](C2)C3(C)C)c1Br 2201069310 VBXRSESFCPJAOE-MQIPJXDCSA-N 465.067 6.947 50 10 JKGE Cc1c(Br)ccc([C@@H](Br)[C@H]2Cc3ccccc3O2)c1Br 2203686751 OEUUEDMAVGFNMO-GDBMZVCRSA-N 460.991 5.960 50 10 JKGE Cc1sc([C@@H](Br)[C@@H](C)c2ccncc2Br)cc1Br 2218971898 ONVRTUYDTNABEN-CPFSXVBKSA-N 454.025 6.216 50 10 JKGE C[C@@H]1OCCO[C@H]1[C@@H](Br)c1c(Br)cc(Cl)c(Cl)c1Cl 2224316087 AINJMOCZVJFIEF-NQDMIYDCSA-N 453.385 5.649 50 10 JKGE Fc1cc(Br)c(Br)cc1[C@@H](Cl)c1cc(Cl)ccc1Br 2225633317 IJVBRLXMVLXBNY-ZDUSSCGKSA-N 491.807 7.095 50 10 JKGE Cc1cc(Br)c([C@H](Br)CC2CC(C)(C)C2)c(C)c1Br 2227349020 QFYHCCHMJZCGGQ-CYBMUJFWSA-N 453.056 7.091 50 10 JKGE Cc1cc([C@H](Br)c2c(Br)cc(C)c(Br)c2C)sc1Cl 2227350413 HMLOZIFACDATII-ZDUSSCGKSA-N 487.482 7.336 50 10 JKGE Cc1cc(Br)c([C@@H](Br)[C@H]2CC(C)(C)CO2)c(C)c1Br 2227354007 VQTLZIOSZQRPNX-RISCZKNCSA-N 455.028 6.080 50 10 JKGE Cc1cc(Br)c([C@H](Br)C[C@H]2C[C@@H]2C2CC2)c(C)c1Br 2227359741 LDVPORNKOVTXOA-YRGRVCCFSA-N 451.040 6.701 50 10 JKGE COc1cc(Br)c([C@@H](Br)c2cc(Br)c(C)s2)cc1C 2227723662 JVGBMQBCEFRTSG-CQSZACIVSA-N 469.036 6.383 50 10 JKGE Cc1c(F)ccc([C@@H](Br)c2c(Br)cccc2Br)c1F 2231075797 GWILVJWHLDCRBF-CYBMUJFWSA-N 454.934 6.283 50 10 JKGE Fc1cc([C@H](Cl)c2c(Br)cc(Cl)c(Cl)c2Cl)ccc1Br 2232510537 HONSMQLPDHCDRK-NSHDSACASA-N 481.801 7.639 50 10 JKGE Cc1cc(Br)c([C@@H](Br)[C@H]2Cc3ccccc32)c(C)c1Br 2235597929 FPDMHPZOOGCCEP-GUYCJALGSA-N 459.019 6.604 50 10 JKGE Cc1cc(Br)c([C@@H](Br)c2ccc(Cl)c(F)c2)c(C)c1Br 2235605656 SXXQDXLULCDRFU-HNNXBMFYSA-N 485.416 7.105 50 10 JKGE CC[C@@H](C[C@H](Br)c1c(Br)cc(C)c(Br)c1C)C(C)(C)C 2235609931 DCOUQVLXLGZKMH-JSGCOSHPSA-N 469.099 7.727 50 10 JKGE C[C@H](Cl)COCC#Cc1sc(Br)c(Br)c1Br 2246103151 NNDXGVHCZJBPOE-LURJTMIESA-N 451.405 5.031 50 10 JKGE C[C@H](CCCCCI)NC(=O)c1scc(Br)c1Cl 2253532040 XYETVDDEKUAMKC-MRVPVSSYSA-N 464.594 5.278 50 10 JKGE N#CC(=C(Cl)c1ccc(Br)cc1I)c1cnsc1 2258886021 DELZQVRECDQSEO-UHFFFAOYSA-N 451.514 5.141 50 10 JKGE CC(F)(F)CC[C@H](Br)c1c(F)cc(Br)c(F)c1Br 2260071543 RDBAVPUGKSMQJQ-YFKPBYRVSA-N 456.897 6.361 50 10 JKGE COc1cc([C@@H](Br)c2sc(C)c(C)c2Br)ccc1Br 2264425150 SYYVZQDVJHEWCC-CYBMUJFWSA-N 469.036 6.383 50 10 JKGE Fc1cc(Br)c(F)c(Br)c1[C@H](Br)[C@H]1CCC2(CC2)C1 2272721592 JXIGQQYGOZEUQR-WRWORJQWSA-N 458.966 6.506 50 10 JKGE Cc1ccc(NC(=O)C(C#N)=C2S[C@H](Cc3ccccc3C)C(=O)N2c2ccc(F)cc2)cc1 2293038946 KNJXXSVEJYVPOG-XMMPIXPASA-N 471.557 5.508 50 10 JKGE Cc1ccc(-c2nnc(SCC(=O)NN=CC=Cc3ccccc3)n2-c2ccc(C)cc2)cc1 2293202316 YNCHUQRHMXGLBF-UHFFFAOYSA-N 467.598 5.459 50 10 JKGE N#CC(=Cc1ccc(OCc2ccccc2F)c(Br)c1)c1cccc([N+](=O)[O-])c1 2294279977 MYYJMVHDJSPNTO-UHFFFAOYSA-N 453.267 6.140 50 10 JKGE CCOC(=O)c1c(NC=C(C#N)c2nc(-c3ccc(CC(C)C)cc3)cs2)sc(C)c1C 2296790208 WPAXPHYUQMSXMH-UHFFFAOYSA-N 465.644 6.840 50 10 JKGE Cc1ccc2nc(Cl)c(C=C(C#N)c3nc(-c4ccc(Cl)c(Cl)c4)cs3)cc2c1 2297449639 QZZBVWBLFPBDRU-UHFFFAOYSA-N 456.785 7.691 50 10 JKGE Brc1cc(OCc2ccccc2)ccc1[C@@H](Br)[C@H]1[C@H]2COCC[C@H]21 2299495116 JVNMQHYGJDKFOZ-MCYKXBRJSA-N 452.186 5.747 50 10 JKGE Fc1ccc(Br)cc1[C@H](Cl)c1sc(Cl)cc1I 2300954999 FZFXUGUXWYEOAW-JTQLQIEISA-N 465.940 6.236 50 10 JKGE CN(C)C(=O)C(C#N)=Cc1cc(Cl)c(OCc2ccc(Br)cc2)c(Cl)c1 2313568306 UFWFRXQCGFFWSZ-UHFFFAOYSA-N 454.151 5.330 50 10 JKGE COc1cc(C=C(C#N)C(=O)Nc2cc(Cl)ccc2Cl)ccc1OCc1ccccc1 2313630713 FJKUDZGOFJGXOY-UHFFFAOYSA-N 453.325 6.127 50 10 JKGE CS(=O)(=O)[C@H]1C[C@H]([C@H](Br)c2cc(Br)ccc2OCc2ccccc2)C1 2314442787 HCRKWUYBUOELNL-QOKNQOGYSA-N 488.241 5.287 50 10 JKGE CCc1ccc(C[C@@H]2SC(=C(C#N)C(=O)Nc3ccccc3C)N(c3ccc(OC)cc3)C2=O)cc1 2314592455 UJBKUNMGFRDNKG-SANMLTNESA-N 497.620 5.631 50 10 JKGE CCOc1ccc(-c2nc(NC(=O)C(C#N)=Cc3ccc(OCC)c(OC)c3)sc2C)cc1 2314793476 TXKRGSPFCRGCEZ-UHFFFAOYSA-N 463.559 5.470 50 10 JKGE Clc1cc(I)c([C@H](Br)[C@@]23CCCC[C@H]2OCC3)s1 2316659631 VLBHUUKBLKZBGB-JIMOISOXSA-N 461.590 5.791 50 10 JKGE CC[C@@H](C)c1ccccc1NC=C(C#N)C(=O)Nc1ccc(I)cc1C 2318462136 CDUMEYXACFTOPU-CQSZACIVSA-N 459.331 5.571 50 10 JKGE BrC[C@H](Cc1cccc(Br)c1)Cc1nc(Br)cs1 2320029817 QGLVKOOBZDLNFV-SNVBAGLBSA-N 454.025 5.464 50 10 JKGE O=C(Cc1cc(Br)cc(Br)c1)N[C@@H](CCCl)COCc1ccccc1 2320560845 DOYZRFNTLSBSHQ-SFHVURJKSA-N 489.635 5.085 50 10 JKGE COC[C@@H]1C[C@H](Br)[C@@H](Cc2ccc(I)c(Br)c2)C1 2325221591 HKOHYRGXKDCDSB-SRVKXCTJSA-N 488.001 5.032 50 10 JKGE CCOc1ccc(C=CC(O)=C(C#N)c2nc(-c3ccc(-c4ccccc4)cc3)cs2)cc1OC 2331231964 WVFMCJIUPWEYSO-UHFFFAOYSA-N 480.589 7.390 50 10 JKGE CCc1ccc(-c2csc(C(C#N)=C(O)CNC(=O)c3ccc(Cl)cc3Cl)n2)cc1 2331245550 WMAVQKMXZWFTHI-UHFFFAOYSA-N 458.370 5.902 50 10 JKGE COc1ccc(-c2csc(C(C#N)=Cc3cccc(OC)c3OCc3cccc(C)c3)n2)cc1OC 2331418373 VWZVDAYMLXWMGH-UHFFFAOYSA-N 498.604 6.788 50 10 JKGE COc1ccc(-c2csc(C(C#N)=Cc3c(OCc4ccccc4)ccc4ccccc34)n2)cc1C 2331429692 SVUVVBFFKKKKEO-UHFFFAOYSA-N 488.612 7.924 50 10 JKGE CC(C)(C)c1ccc(-c2csc(C(C#N)=Cc3ccc(OCc4ccccc4Cl)cc3)n2)cc1 2331453642 PRQRISUWOMNEIA-UHFFFAOYSA-N 485.052 8.404 50 10 JKGE CCOc1cc(C=C(C#N)c2nc(-c3c[nH]c4ccccc34)cs2)cc(Br)c1O 2331460221 ZPRFMOVEEXQZQC-UHFFFAOYSA-N 466.360 6.222 50 10 JKGE Brc1cc(OCc2ccccc2)ccc1[C@@H](Br)C(C1CCC1)C1CCC1 2336051416 RPDJDALEALXLDB-HSZRJFAPSA-N 478.268 7.681 50 10 JKGE C[C@]1([C@H](Br)c2cc(Br)ccc2OCc2ccccc2)CCCC(F)(F)C1 2336072494 MTDKCZHEVXBRCZ-UXHICEINSA-N 488.210 7.680 50 10 JKGE Fc1c(Br)cc(Cl)c([C@H](Br)[C@H]2C[C@@]23CC3(F)F)c1Br 2337090816 RSUYJUNUMLPFAI-LEXRKQAVSA-N 483.347 6.485 50 10 JKGE CC(C)[C@@H]1CC[C@@H](Br)[C@@H](Cc2ccc(Cl)c(I)c2)C1 2337272072 DOENAAYPZWNJTC-HZSPNIEDSA-N 455.605 6.323 50 10 JKGE CC(C)(C)OC1CC(C[C@H](Br)c2sc(Cl)cc2I)C1 2338557143 SJKDFKFFEJDCME-RTBKNWGFSA-N 477.633 6.426 50 10 JKGE BrC[C@H](COc1cc(Br)cc(I)c1)c1ccccc1 2338708761 PFWRTYXLASCXMD-GFCCVEGCSA-N 495.980 5.611 50 10 JKGE CO[C@]1(C(F)F)C[C@H]([C@@H](Cl)c2c(Br)sc(Br)c2Cl)C1 2343011631 FSOWUYLFFWYKLD-GPGOKOMYSA-N 458.977 6.267 50 10 JKGE CCN(C[C@](C)(CI)O[C@H]1CCOc2ccc(F)cc21)C(=O)OC(C)(C)C 2364533310 NXYQBLWIAOYXNL-PXNSSMCTSA-N 493.357 5.117 50 10 JKGE Cc1cc(F)ccc1[C@@H](Br)c1c(C)cc(Br)c(F)c1Br 2365177819 DOMWLPXAVOJWDR-CYBMUJFWSA-N 468.961 6.591 50 10 JKGE N#CC1=C(N)Oc2c(c(Nc3ccccc3)nc3c(O)nsc23)[C@H]1c1ccc(Br)cc1 9597244 POYIDIVHBDADQZ-HNNXBMFYSA-N 492.358 5.121 50 10 JKGE CCc1ccc(N/C(SCc2ccc(F)cc2Cl)=C(/C#N)S(=O)(=O)c2ccccc2)cc1 20325171 FNYCCKCRLBSIBK-WCWDXBQESA-N 487.021 6.553 50 10 JKGE COc1ccc(/C(C#N)=C\c2ccc(OC(=O)c3ccccc3Br)cc2)cc1OC 31900917 DGKUEEAOCDTSIG-AQTBWJFISA-N 464.315 5.750 50 10 JKGE N#C/C(=C/c1ccc(OCC(=O)c2ccccc2)cc1)c1nc(-c2ccc([N+](=O)[O-])cc2)cs1 33470772 DDSAYOQBTNWXLA-STZFKDTASA-N 467.506 6.044 50 10 JKGE Cc1cccc(C(=O)N/N=C\c2cc(Br)ccc2OC(=O)c2ccc(Cl)cc2)c1 33623898 RXINOUYHAQOHAI-MXAYSNPKSA-N 471.738 5.394 50 10 JKGE Cc1ccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4ccc(Cl)cc4Cl)ccc32)cc1 38649196 FUCUWWOTNSBGOS-JOCHJYFZSA-N 451.309 5.739 50 10 JKGE C[C@@H](Oc1ccccc1F)C(=O)Oc1ccc2c(c1)OC(N)=C(C#N)[C@@H]2c1ccccc1Cl 38651042 CGZJOPNYAWHAQP-QKFKETGDSA-N 464.880 5.070 50 10 JKGE COc1ccc(CC(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@H]3c2ccc(Cl)c(Cl)c2)cc1 38656101 JBIYVILYJSYMEG-DEOSSOPVSA-N 481.335 5.368 50 10 JKGE CC(C)(C)c1ccc(OCC(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@@H]3c2cccs2)cc1 38656509 WRGXKQZMVMYQDG-XMMPIXPASA-N 460.555 5.248 50 10 JKGE CCCCOc1ccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4cccs4)ccc32)cc1OC 38660113 SOJZYRCKCAGLLV-DEOSSOPVSA-N 476.554 5.373 50 10 JKGE COc1cc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4ccco4)ccc32)ccc1OCCC(C)C 38660384 DBLXAQLBWCHCDU-VWLOTQADSA-N 474.513 5.150 50 10 JKGE CCCOc1ccccc1[C@H]1C(C#N)=C(N)Oc2cc(OC(=O)COc3ccc(Cl)cc3)ccc21 38681336 OJLALLILJDUVHQ-AREMUKBSSA-N 490.943 5.331 50 10 JKGE CCCCCOc1cccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)COc4ccccc4)ccc32)c1 38684776 MPWLSQXMKZOXEM-MUUNZHRXSA-N 484.552 5.458 50 10 JKGE CCCCCOc1ccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4cccc(OC)c4)ccc32)cc1 38685285 AXIUCHPXUHJIMD-MHZLTWQESA-N 484.552 5.702 50 10 JKGE CCOc1ccc(/C=C(\C#N)C(=O)Nc2scc(-c3ccc4c(c3)CCCC4)c2C(=O)OC)cc1 41013254 SCGVJABIHYVFRL-HYARGMPZSA-N 486.593 6.025 50 10 JKGE CCCCCCOc1ccc(OCCOc2ccc(/C=C(/C#N)c3ccc([N+](=O)[O-])cc3)cc2)cc1 96544469 YKHKJVYGGJNKSN-DAFNUICNSA-N 486.568 7.076 50 10 JKGE CCCCCCOc1ccc(/C=C\C(=O)Oc2cccc(/C=C(\C#N)C(=O)OCC)c2)cc1OC 98028238 NRRLGTXGLIFBBQ-PYRMIIEHSA-N 477.557 5.743 50 10 JKGE Cc1c(Cl)cccc1N/C=C(\C#N)c1nc(-c2cc3c(ccc4ccccc43)oc2=O)cs1 102924900 KDPVEONXIVPYDY-GHRIWEEISA-N 469.953 7.008 50 10 JKGE Clc1cc([C@@H](Br)c2ccc(Br)s2)sc1Br 127561889 IHIDJMKHFMGABU-QMMMGPOBSA-N 451.430 6.472 50 10 JKGE Cc1c(Br)cccc1[C@@H](Br)c1cc(Cl)c(Br)s1 127573630 FGUQHOMIYBKJCQ-LLVKDONJSA-N 459.428 6.719 50 10 JKGE Cc1cc(Br)cc([C@H](Cl)c2cc(Br)ccc2Br)c1 131944181 PIKOGKZNQFBXNJ-AWEZNQCLSA-N 453.399 6.611 50 10 JKGE COc1cc(C)c(Br)cc1[C@H](Br)c1cc(C)cc(Br)c1 132011648 AWCAPHLTHNTKHN-MRXNPFEDSA-N 463.007 6.321 50 10 JKGE CCCC[C@H](CC)CO[Si](OCC(CC)CC)(OCC(CC)CC)OC[C@@H](CC)CCCC 195751230 ULCSCCKDHPQPDN-NSOVKSMOSA-N 488.870 8.794 50 10 JKGE CCOC(=O)c1c(-c2ccc(C)cc2C)csc1NC(=O)/C(C#N)=C\c1ccc(OC)cc1 207129807 JGZDUWVOGPFPQS-UYRXBGFRSA-N 460.555 5.763 50 10 JKGE CC(=O)Nc1cccc(Oc2ccc(CNC(=O)c3cnccc3O[C@H](Cl)C3CC3)cc2F)c1 211951276 NKEYRLZZSVANAU-DEOSSOPVSA-N 483.927 5.255 50 10 JKGE CCOc1ccc(-c2nn(-c3ccccc3)cc2/C=C2\C(=O)N([C@@H](C)CC)C(=O)C(C#N)=C2C)cc1C 214258441 YOIXBLPEGKUGML-HBAFHOPNSA-N 494.595 5.637 50 10 JKGE CCOc1cc(/C=C2\C(=O)N(Cc3ccco3)C(=O)C(C#N)=C2C)ccc1OCc1ccc(F)cc1 214320303 YGSOCLRNIGKCJH-QRVIBDJDSA-N 486.499 5.189 50 10 JKGE CCc1ccc([C@H](Br)c2cc(Br)ccc2I)s1 234184728 VIPFKORUMDBOKI-CYBMUJFWSA-N 486.010 6.162 50 10 JKGE Cc1cc(Br)c([C@@H](Cl)c2ccc(Cl)c(Br)c2)cc1Br 235814483 ICBVAIHYXVBPDL-AWEZNQCLSA-N 487.844 7.264 50 10 JKGE O=C(Nc1cccc(CBr)c1)c1cc(Cl)ccc1I 236067641 KPOWJOGTGQJGOA-UHFFFAOYSA-N 450.501 5.092 50 10 JKGE CCOc1cc(C=NNC(=O)COc2ccc(Cl)cc2)ccc1OC(=O)c1ccc(Cl)cc1 252594528 BTDADRGRMQTDOI-UHFFFAOYSA-N 487.339 5.140 50 10 JKGE CC(C)[C@H]1CC[C@@H](C)C[C@H]1O[C@H](CI)c1ccc(Br)cc1 253142255 XPKWGWWEJZPSTQ-BNEJOLLZSA-N 465.213 6.403 50 10 JKGE CCOc1cc(C=NNC(=O)CSCc2ccc(OC)cc2)ccc1OCc1ccccc1 254493043 RCMYBNQFGXAKDM-UHFFFAOYSA-N 464.587 5.056 50 10 JKGE CCOc1cc(C=NNC(=O)CSc2nc3ccccc3s2)ccc1OCc1ccc(C)cc1 254750001 WIDPEMPMGUENAR-UHFFFAOYSA-N 491.638 5.825 50 10 JKGE C[C@@H]1COc2ccc([C@H](Br)c3sccc3I)cc2OC1 380586335 WTGDFCXTQFDKAV-OTYXRUKQSA-N 465.150 5.244 50 10 JKGE COc1cc(C)c(Br)cc1[C@H](Br)c1ccc(OCc2ccccc2)cc1 382332271 VARAQQKYZKEOKD-JOCHJYFZSA-N 476.208 6.829 50 10 JKGE Clc1ccc(Br)c([C@@H](Cl)c2cc(I)cc3c2OCC3)c1 383565903 LDMVFFMHICCUJV-CQSZACIVSA-N 483.958 5.970 50 10 JKGE CC(C)(C)[Si](C)(C)OCCN1CCCO[C@H](c2ccccc2CO[Si](C)(C)C(C)(C)C)C1 616677982 ANZTZFDFVKNNDK-DEOSSOPVSA-N 479.854 6.994 50 10 JKGE C[C@H]1[C@H](Br)C[C@H]2CC[C@H]1N2C(=O)c1scc(Br)c1Br 686176295 SQACWAWXOFFJQQ-OKJYPTKPSA-N 472.040 5.050 50 10 JKGE C[C@H](CCn1c(CCCl)nc2ccc(F)c(Br)c21)N(C)Cc1ccccc1 689734246 VFUKRFBMZMVFRS-OAHLLOKOSA-N 452.799 5.630 50 10 JKGE Fc1ccc([C@H](Cl)c2cc(Br)cc(Br)c2)c(F)c1Br 691541720 ONHPAILYBRCRGV-GFCCVEGCSA-N 475.352 6.581 50 10 JKGE C[C@H]1Cc2cc(Br)cc([C@@H](Br)c3occc3Br)c2O1 720030977 GQQZFENWSTYXRP-JVXZTZIISA-N 450.952 5.612 50 10 JKGE Cc1cc([C@@H](Br)c2cc(Br)cc3c2O[C@H](C)C3)sc1Br 720054244 UGEZIEJTKJUBDM-OQPBUACISA-N 481.047 6.389 50 10 JKGE CCOc1cc(/C=C(/C#N)C(=O)Nc2ccccc2)cc(Cl)c1OCc1ccc(F)cc1 725379478 ZHAKAPUBVMWZCM-UNOMPAQXSA-N 450.897 6.002 50 10 JKGE O=C(NN=Cc1ccc(OCc2ccc(Br)cc2)cc1)c1cccc(Br)c1 1081088342 PJQYQIWTHGLZHR-UHFFFAOYSA-N 488.179 5.555 50 10 JKGE CCOc1cc(C=NNC(=O)CSCc2ccc(C)cc2)ccc1OCc1cccc(Cl)c1 1083969233 GNGGVTABQKHNJM-UHFFFAOYSA-N 483.033 6.010 50 10 JKGE Cc1c(Br)c(C=NNC(=O)CSCc2ccccc2)c(C)n1-c1ccccc1 1084333019 ZFYMFTOLKAVDRX-UHFFFAOYSA-N 456.409 5.240 50 10 JKGE Cc1ccc(C)n1-c1cccc(C(=O)NN=Cc2cccn2-c2ccc(Br)cc2)c1 1084513442 VZVQKZASFCZNGB-UHFFFAOYSA-N 461.363 5.411 50 10 JKGE O=C(COc1ccc2cc(Br)ccc2c1Br)NN=Cc1ccc(Cl)cc1 1084514801 VQFDXAYKPHTHAS-UHFFFAOYSA-N 496.586 5.547 50 10 JKGE C=CCc1cc(C=NNC(=O)CC[C@H](O)c2ccccc2)cc(OC)c1OCc1cccc(C)c1 1084557417 LHPCHJLSIWRGFA-SANMLTNESA-N 472.585 5.275 50 10 JKGE N#C/C(=C\c1ccc(Oc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])cc1)C(=O)Nc1cccc(Cl)c1Cl 1084564718 KBSMIKDMVXGJRP-GXDHUFHOSA-N 499.266 6.148 50 10 JKGE CCCCc1ccc(NC(=O)c2oc3c(c2C)C(=NNC(=O)c2ccc([N+](=O)[O-])cc2)CCC3)cc1 1772745305 WHIAUGYRSROJAL-UHFFFAOYSA-N 488.544 5.562 50 10 JKGE Cc1ccnc(NC(=O)c2oc3c(c2C)C(=NNC(=O)Cc2coc4c(C)c(C)ccc24)CCC3)c1 1772751970 QEWRIGFYBWBPEB-UHFFFAOYSA-N 484.556 5.306 50 10 JKGE C=CCOc1ccccc1[C@@H]1C(C#N)=C(N)Oc2c1c(CCC)nn2Cc1cccc(Cl)c1 1865691092 JAFAMLJNZULWDT-HSZRJFAPSA-N 460.965 5.320 50 10 JKGE CCCOc1ccc([C@@H]2C(C#N)=C(N)Oc3c2c(CC)nn3-c2cccc3ccccc23)cc1OCC 1865691370 QEWSQLRTTRBZTM-HHHXNRCGSA-N 494.595 5.994 50 10 JKGE CCCCOc1ccc([C@@H]2C(C#N)=C(N)Oc3c2c(CC)nn3Cc2cc(C)ccc2C)cc1OC 1865696110 CKQPOLUXMINBLZ-AREMUKBSSA-N 486.616 5.516 50 10 JKGE CCN(CC)c1ccc([C@@H]2C(C#N)=C(N)Oc3c2c(-c2ccc(OC)cc2)nn3CC(C)C)cc1 1865701925 IIFDDPFKTCXFBI-XMMPIXPASA-N 471.605 5.279 50 10 JKGE CCC[C@@H](NC(=O)Cc1ccc2nc(O)c(C(C)C)cc2c1)C(=O)Nc1ccc(SC#N)cc1 1867068254 XIPKJMFJLOKEOX-HSZRJFAPSA-N 476.602 5.103 50 10 JKGE CC[C@H](CC(=O)N[C@H](C)C(=O)Nc1ccc(SC#N)cc1)c1cc(Br)ccc1OC 1867129110 VILJZMFWBMFKIQ-HUUCEWRRSA-N 490.423 5.058 50 10 JKGE CCOc1ccc(-c2nc(Nc3ccc(SC#N)cc3)cc(N3C[C@H](C)OCC3(C)C)n2)cc1 1868528672 YJVXFLXVEMDSTK-SFHVURJKSA-N 475.618 5.863 50 10 JKGE COc1cc(/C=C/C(O)=C(\C#N)c2nc(-c3ccc([N+](=O)[O-])cc3)cs2)cc(OC)c1OC 1872747322 XFYRCWSGVPMFDE-OWKATGKCSA-N 465.487 5.250 50 10 JKGE CCOc1ccc(-c2csc(/C(C#N)=C(\O)CCCCCNC(=O)c3ccccc3)n2)cc1 1872747698 QFVZFVICQUYBBW-GYHWCHFESA-N 461.587 5.992 50 10 JKGE CSCC[C@H](/C(O)=C(\C#N)c1nc(-c2cccs2)cs1)N1C(=O)c2ccccc2C1=O 1872750696 OPDJWPADNPBKDY-JFPYRBRCSA-N 467.597 5.082 50 10 JKGE COc1cc(C)c(-c2csc(/C(C#N)=C(\O)CNC(=O)c3ccc(Cl)cc3)n2)cc1C(C)C 1872753531 BLMFTBZDUZFOOR-XDOYNYLZSA-N 482.005 6.127 50 10 JKGE COc1cc(C)c(-c2csc(/C(C#N)=C(\O)[C@H]3CC(=O)N(Cc4ccccc4)C3)n2)cc1C(C)C 1872753697 JHBKWVJDMYFPCV-XSMOSBQLSA-N 487.625 6.092 50 10 JKGE Cc1ccc(C(C)(C)C)cc1-c1csc(/C(C#N)=C(\O)CCN2C(=O)c3ccccc3C2=O)n1 1872756331 XQBOFGIMWNVGBF-LNVKXUELSA-N 471.582 5.895 50 10 JKGE COc1ccc(-c2csc(/C(C#N)=C/c3ccccc3OCc3ccc(Cl)cc3)n2)cc1Cl 1872794703 RCQAXPCHDLCDSR-UDWIEESQSA-N 493.415 7.769 50 10 JKGE COc1ccc(OC)c(-c2csc(/C(C#N)=C(\O)CCCOc3cc(C)c(Cl)c(C)c3)n2)c1 1873920548 IHDJEHQDQVUWGW-XDOYNYLZSA-N 485.005 6.749 50 10 JKGE Cc1cscc1[C@H](Br)c1cc(Br)ccc1OCc1ccccc1 1899859531 ZECHMOHLINKZGN-LJQANCHMSA-N 452.211 6.882 50 10 JKGE C[C@@H](CCl)N(Cc1ccccc1)C(=O)c1scc(Br)c1Br 1914229638 OYELRXDOFKAMJP-JTQLQIEISA-N 451.611 5.543 50 10 JKGE C[C@@H](CCBr)N(Cc1ccccc1)C(=O)c1ccc(Cl)c(Br)c1 1915131762 ZUOHXIHZZLBSAP-ZDUSSCGKSA-N 459.609 5.918 50 10 JKGE CC(C)[C@@H](CBr)N(Cc1ccccc1)C(=O)c1ccc(Cl)c(Br)c1 1915297792 LFNWYUHTFITICY-GOSISDBHSA-N 473.636 6.164 50 10 JKGE CC(C)(CC(F)(F)F)[C@H](Br)c1sc(Br)cc1Br 1922883632 KOWOSTPMGSSYKO-MRVPVSSYSA-N 458.963 6.688 50 10 JKGE Cc1c(Br)sc([C@@H](Cl)c2cscc2Br)c1Br 1922883823 PWISCGDMJRWBSA-QMMMGPOBSA-N 465.457 6.734 50 10 JKGE Clc1c(Br)sc(Br)c1[C@@H](Br)[C@@]12CCC[C@@H](C1)OC2 1925061429 LUTRVXQJWHQFOC-RMUHFYJVSA-N 479.459 6.322 50 10 JKGE Clc1c(Br)sc(Br)c1[C@@H](Br)C[C@@H]1C[C@H]2C[C@H]2C1 1950074178 ALSURCWKDSTUEA-YWIQKCBGSA-N 463.460 6.799 50 10 JKGE FCC1([C@@H](Br)c2c(Br)sc(Br)c2Br)CCC1 1979396059 FHYNKHXVDUBGJE-ZETCQYMHSA-N 499.863 6.611 50 10 JKGE C[C@@]1([C@@H](Br)c2sc(Br)cc2Br)CCCC1(F)F 2002591882 OWFDMNYXZFUBJW-UWVGGRQHSA-N 452.984 6.535 50 10 JKGE Clc1c(Br)sc(Br)c1[C@H](Br)CC1CCOCC1 2003878127 SLECPNUFVHDOOR-SSDOTTSWSA-N 467.448 6.179 50 10 JKGE CC(C)(C)OC(=O)NCCSSCCNCc1cccc(Br)c1Cl 2010829510 XDWBTNQZIQBIQN-UHFFFAOYSA-N 455.871 5.098 50 10 JKGE Cc1c(Br)ccc([C@@H](Br)c2coc(Br)c2)c1Br 2024278983 IVZKRVANUYNFAB-LBPRGKRZSA-N 487.811 6.360 50 10 JKGE FC1(F)[C@@H]([C@@H](Br)c2cc(Br)sc2Br)C12CCCC2 2036157446 SQJUEBMSTDYMBA-IUCAKERBSA-N 464.995 6.535 50 10 JKGE CC12CC([C@H](Br)c3cc(Br)c(Br)s3)(C1)C(C)(C)O2 2058143953 QBQAQWBKKPWTPB-UHEGKEBESA-N 459.041 6.057 50 10 JKGE C[C@@]1(CCOCc2ccccc2)CCN1c1cc(Br)cc(F)c1CBr 2077086188 SCPMGCRYRHFEEX-FQEVSTJZSA-N 471.208 6.059 50 10 JKGE Cc1sc(Br)c([C@H](Cl)c2c(Br)cccc2Br)c1C 2082872296 ZHYQRDCKGCNGRM-LBPRGKRZSA-N 473.455 6.981 50 10 JKGE Cl[C@H](c1cc2c(cc1Br)OCC2)c1csc(Br)c1Br 2093947766 GCDYHAXAEPWRQH-GFCCVEGCSA-N 487.438 6.299 50 10 JKGE Clc1cccc(Cl)c1C[C@H](Br)c1cc(Br)ccc1Br 2104778805 XKKRHFDFKBVNKI-LBPRGKRZSA-N 487.844 7.197 50 10 JKGE FC1(F)[C@@H]2CC(CBr)(Cc3cccc(Br)c3Br)C[C@H]21 2107632450 HLARRMNRJDPYMF-NXEZZACHSA-N 458.966 5.811 50 10 JKGE FC(F)(C1CCOCC1)[C@@H](Br)c1c(Cl)sc(Br)c1Cl 2128895909 KXFNCSUVOQVPER-QMMMGPOBSA-N 458.977 6.315 50 10 JKGE Cc1cc(Br)c([C@H](Br)[C@H]2CCCOC2(C)C)cc1Br 2130462220 ROKTWIAKRSSCRT-RISCZKNCSA-N 455.028 6.161 50 10 JKGE CC1(C)C[C@](C)(CBr)CN1Cc1cccc(Br)c1Br 2134833628 QMGDNGNCMIWVKP-OAHLLOKOSA-N 454.044 5.597 50 10 JKGE Cc1cc(Br)c(C)c([C@H](Br)[C@@H]2CC[C@@H]3C[C@H]3C2)c1Br 2136365878 BXEKTWHFCQFLSI-LSSIXWDNSA-N 451.040 6.701 50 10 JKGE Cc1cc(Br)c(C)c([C@H](Br)[C@H]2CCC[C@@H](F)C2)c1Br 2136373442 BXIAMWFWXSYNLR-FIXISWKDSA-N 457.019 6.793 50 10 JKGE Cc1cc(Br)c(CBr)c(N(C)C[C@@]2(Br)CC2(F)F)c1 2137813405 FQGVLNSKCIWQIH-LBPRGKRZSA-N 461.970 5.261 50 10 JKGE Brc1ccc(Br)c([C@H](Br)C2C[C@H]3COC[C@H](C2)C3)c1 2141799005 LHCQRGLUAOCVPL-AMJWSMQMSA-N 453.012 5.710 50 10 JKGE COc1ccc([C@@H](Br)c2ccc(Br)cc2I)c(C)c1 2142286582 FKDHKKPGSYNZLW-OAHLLOKOSA-N 495.980 5.855 50 10 JKGE BrCC(CBr)(C[C@H]1C[C@H]2CC[C@H]1O2)c1ccccc1Br 2168068605 ARKFGNHVHSPILX-LALPHHSUSA-N 467.039 5.434 50 10 JKGE Brc1ccc([C@@H](Br)Cc2ccc3c(c2)CCO3)c(Br)c1 2168654298 QARINKIITSTQMS-AWEZNQCLSA-N 460.991 5.825 50 10 JKGE C[C@H](c1cnn(Cc2ccccc2)c1)n1c(CCl)nc2cc(Cl)c(Br)cc21 2168999792 XUAMJMVDXVXPMP-CYBMUJFWSA-N 464.194 6.045 50 10 JKGE Clc1cc([C@@H](Cl)c2c(Cl)cccc2Br)c(Cl)c(Cl)c1Cl 2169466276 JEBJCBNQTOGJAZ-SNVBAGLBSA-N 453.805 8.044 50 10 JKGE Cc1cc(Br)c([C@@H](Br)c2cc3c(ncn3C)s2)cc1Br 2175241985 YHIUXULUHJBHIG-CYBMUJFWSA-N 479.035 5.953 50 10 JKGE CCc1cc([C@@H](Cl)c2cc(I)ccc2Br)c(F)cc1F 2175397626 FCXMTTXYNAFKSC-HNNXBMFYSA-N 471.510 6.223 50 10 JKGE FC(F)(F)c1ccc([C@@H](Br)c2sc(Cl)cc2Br)c(Cl)c1 2179258723 HDPICIFDMJKWCO-SNVBAGLBSA-N 468.947 7.321 50 10 JKGE CC(C)[C@@H](CBr)N(Cc1ccccc1)C(=O)c1ccc(C(F)(F)F)cc1Cl 2179258899 JDTVGJOMDIYCTB-GOSISDBHSA-N 462.737 6.421 50 10 JKGE CC(C)(C)OC(=O)NCCSSCCN[C@@H]1CCOc2c(Cl)cc(Cl)cc21 2181745620 DDWCAGSBBWGFNT-OAHLLOKOSA-N 453.457 5.313 50 10 JKGE Cc1c(Br)ccc([C@H](Br)[C@H]2C[C@H]2C2CCCCC2)c1Br 2203689175 XFHVJBNIRYRLCX-ZQIUZPCESA-N 465.067 7.172 50 10 JKGE CCC[C@H]1CN(C(=O)c2ccc(Br)cc2Br)C[C@@H]1CBr 2205703017 LLHKBGQGCDHAFZ-QWRGUYRKSA-N 468.027 5.095 50 10 JKGE Cc1cc([C@@H](Br)c2cc(Br)c(Br)cc2F)sc1C 2218597272 LBWSNEPWLGFDKW-ZDUSSCGKSA-N 457.000 6.513 50 10 JKGE CCc1nc([C@@H](Br)c2c(C)sc(Br)c2C)c(Br)s1 2218797647 GGWMNVDFPMWBCQ-VIFPVBQESA-N 474.081 6.393 50 10 JKGE Cc1cc(Br)c([C@@H](Br)CC2CCCCC2)c(C)c1Br 2227349026 QGVNLXWYACTAAO-AWEZNQCLSA-N 453.056 7.235 50 10 JKGE Cc1cc(Br)c([C@H](Br)C[C@@H]2CC[C@H]3C[C@@H]23)c(C)c1Br 2227363434 XUZAUTRTHPTUOA-CIQGVGRVSA-N 451.040 6.701 50 10 JKGE Fc1cc(F)c([C@@H](Br)c2cc(Cl)sc2Cl)c(F)c1Br 2227806577 IRQGRWCQIIIOEY-QMMMGPOBSA-N 454.920 6.719 50 10 JKGE Cc1cc(Br)c([C@@H](Cl)c2c(Br)cc(F)c(Cl)c2F)s1 2229301904 SQVRVYNVKGGOII-JTQLQIEISA-N 450.957 6.841 50 10 JKGE CCCCCCCC[C@H](Br)c1c(Br)cc(Cl)c(Cl)c1Cl 2232513560 RJQMNUUNCURYMM-JTQLQIEISA-N 465.484 8.596 50 10 JKGE CC(C)(c1ccccc1)[C@H](Br)c1cc(Br)c(Br)cc1F 2233977306 UCUYEIYTHKOVRM-OAHLLOKOSA-N 464.998 6.765 50 10 JKGE CC[C@H]1CC[C@H]([C@@H](Br)c2c(Br)cc(C)c(Br)c2C)CC1 2235598949 JSTZSIQZZGEFRI-PBFPGSCMSA-N 467.083 7.481 50 10 JKGE Cc1ccc([C@H](Cl)c2c(Br)cc(C)c(Br)c2C)c(Br)c1 2235603759 KOOXEWHHRPPGAM-INIZCTEOSA-N 481.453 7.228 50 10 JKGE Cc1cc(Br)c([C@H](Br)C2[C@H]3CCCCC[C@H]23)c(C)c1Br 2235603964 LQLJACCKERSENE-PRXAMGSTSA-N 465.067 7.091 50 10 JKGE Cc1cc([C@H](Br)[C@@H](C)c2ccncc2Br)cc(C)c1Br 2235678877 YUDABQFWBRPQSH-MEDUHNTESA-N 462.023 6.463 50 10 JKGE Brc1ccc(I)cc1[C@@H](Br)Cc1cnsc1 2242935470 HKXNLWIDLYLHIO-NSHDSACASA-N 472.971 5.189 50 10 JKGE CCOc1ccc([C@@H](Br)c2scc(Br)c2Cl)cc1Br 2264607075 IHSUJMWIEYJUBM-LLVKDONJSA-N 489.454 6.810 50 10 JKGE FC1(F)C[C@](CBr)(Cc2cc(Br)ccc2Br)C12CCC2 2280847395 ZBBLEXAOWUDWBW-ZDUSSCGKSA-N 472.993 6.345 50 10 JKGE Cc1cc(Br)c(C)c([C@H](Br)[C@H]2CCC[C@H]2C(F)F)c1Br 2285649689 HARHHLCMRLRDHW-IMSIIYSGSA-N 475.009 6.946 50 10 JKGE CO[C@@H]1CCC[C@H]([C@@H](Br)c2c(F)cc(Br)c(F)c2Br)C1 2288355304 FFLCQAXCYAGJPD-JOAULVNJSA-N 476.981 6.131 50 10 JKGE CC1(C)CCCC[C@H]1[C@H](Br)c1c(F)cc(Br)c(F)c1Br 2288373010 DJORXOVYVGZTNH-UFBFGSQYSA-N 475.009 7.142 50 10 JKGE Cc1ccccc1C=C(C#N)C(=O)Nc1ncc(Cc2cc(C(F)(F)F)ccc2Cl)s1 2293038861 BTUPBDBECYOYHT-UHFFFAOYSA-N 461.896 6.260 50 10 JKGE N#CC(=Cc1cn(CC(=O)Nc2ccccc2)c2ccccc12)C(=O)Nc1ccccc1Cl 2295172663 UVKNLAHRQGZEIK-UHFFFAOYSA-N 454.917 5.479 50 10 JKGE CC[C@@]12CC[C@@]([C@H](Br)Cc3cc(Br)cc(Br)c3)(CO1)C2 2295331089 DWLKCLHJTDDTKD-PMPSAXMXSA-N 467.039 5.867 50 10 JKGE COc1c(C)cc(C)cc1[C@@H](Br)c1c(Br)cccc1Br 2295359878 KMFSBWJXAKNFGU-OAHLLOKOSA-N 463.007 6.321 50 10 JKGE N#CC(C(N)=O)=C1SC=C(c2ccc(-c3ccc([N+](=O)[O-])cc3Cl)o2)N1c1ccccc1 2296819195 UEDYBNITOUIERJ-UHFFFAOYSA-N 464.890 5.280 50 10 JKGE Brc1cc(OCc2ccccc2)ccc1[C@H](Br)[C@]12C[C@H](CCO1)C2 2299532814 KWWIJXLYXVURLD-RYGJVYDSSA-N 452.186 6.033 50 10 JKGE FC1(F)CCC[C@H]1C[C@H](Br)c1sc(Cl)cc1I 2300957062 JKDUTUCBYBGYRX-BQBZGAKWSA-N 455.533 6.268 50 10 JKGE Brc1cc(C[C@@H]2CCCCC[C@H]2Br)ccc1I 2306215978 AHLYQUMYEIJKEN-NWDGAFQWSA-N 472.002 5.940 50 10 JKGE N#CC(=Cc1ccc(-c2cc(Cl)ccc2Cl)o1)C(=O)N1CCN(c2ccccc2)CC1 2313545846 JUGLZJOPVGIDSX-UHFFFAOYSA-N 452.341 5.509 50 10 JKGE Cc1cc(C=C(C#N)C(=O)Nc2cccc(Cl)c2Cl)c(C)n1-c1ccc(Br)cc1 2313571188 PHJOUQCCTXXKBI-UHFFFAOYSA-N 489.200 6.709 50 10 JKGE N#CC(=Cc1cc(Br)ccc1OCc1ccc(Cl)cc1Cl)C(=O)NC1CCCC1 2313730194 CTHMAYPCTFFZBO-UHFFFAOYSA-N 494.216 6.301 50 10 JKGE COc1ccc(C=C(C#N)C(=O)Nc2cccc3ccccc23)cc1OCc1ccc(Cl)cc1 2313738837 RXRNTFMDMKMSGT-UHFFFAOYSA-N 468.940 6.626 50 10 JKGE CSc1ccccc1[C@@H](Br)c1ccc(OCc2ccccc2)cc1Br 2314450084 VYMBAJVVCSQXKZ-NRFANRHFSA-N 478.249 7.234 50 10 JKGE Brc1ccc(OCc2ccccc2)c([C@H](Br)[C@@H]2C[C@H]3C[C@H]2[C@H]2C[C@@H]23)c1 2314500985 SKGQJTPJDCCICY-RZDUQXNZSA-N 462.225 6.756 50 10 JKGE Cc1c(Cl)sc(Cl)c1[C@@H](Br)c1cc(Br)ccc1Br 2314510794 DWVWXBSKWQZLCA-JTQLQIEISA-N 493.873 7.373 50 10 JKGE Cc1ccc(N2C(=O)[C@H](Cc3ccccc3C)SC2=C(C#N)C(=O)Nc2ccccc2C)cc1C 2314592090 LSLWAMLMACMWNW-SANMLTNESA-N 481.621 5.985 50 10 JKGE CC1=C(C#N)C(=O)N(C[C@H]2CCCO2)C(=O)C1=Cc1ccc(-c2ccc(Cl)c(Cl)c2)o1 2314617980 DZOZLSYBTVDPBG-MRXNPFEDSA-N 457.313 5.025 50 10 JKGE Fc1c(Br)cc(Cl)c([C@@H](Br)CC2(F)CCC2)c1Br 2315444951 FMEVYVVMNWBHIV-ZETCQYMHSA-N 467.373 6.722 50 10 JKGE Fc1c(Br)cc(Cl)c([C@@H](Br)C2CC(F)(F)C2)c1Br 2315445386 LWIDBEPUMPZROP-QMMMGPOBSA-N 471.336 6.485 50 10 JKGE FC(F)(F)c1cscc1[C@@H](Br)c1sc(Cl)cc1I 2316607469 SIDWFSWBIMRGHR-MRVPVSSYSA-N 487.531 6.571 50 10 JKGE Cc1csc([C@H](Br)c2c(C)cc(Br)c(F)c2Br)c1 2317401416 YWBRPPCSBYZWAF-NSHDSACASA-N 457.000 6.513 50 10 JKGE CCCCC1CCC(C(=O)Oc2ccc(C=C(C#N)c3cccc(Cl)c3)cc2OC)CC1 2320506544 LYINTSRMBRVKDM-UHFFFAOYSA-N 451.994 7.315 50 10 JKGE CCCCc1ccc(-c2csc(C(C#N)=C(O)CN3C(=O)c4ccc([N+](=O)[O-])cc4C3=O)n2)cc1 2331256681 OSHWAZZFGNGIDJ-UHFFFAOYSA-N 488.525 5.150 50 10 JKGE CC[C@H](C)[C@H](C(O)=C(C#N)c1nc(-c2ccc(C)cc2)cs1)N1C(=O)c2ccccc2C1=O 2331313359 HBHFFEWINYRNCN-KSFYIVLOSA-N 457.555 5.622 50 10 JKGE CC[C@H](C)N1C(=O)c2ccc(C(O)=C(C#N)c3nc(-c4cc(OC)ccc4OC)cs3)cc2C1=O 2331325231 ZZTCESIQLGAHKR-AWEZNQCLSA-N 489.553 5.172 50 10 JKGE CC1(C)COC[C@H]1[C@H](Br)c1c(Cl)cc(Br)c(F)c1Br 2337097935 ODVMVWPPXLLVDB-WKEGUHRASA-N 479.409 6.113 50 10 JKGE C[C@@]1(C(F)(F)F)C[C@@]1(CBr)Cc1ccc(Cl)c(I)c1 2337223835 RLYLPKSSNNCMCT-VXGBXAGGSA-N 467.494 5.841 50 10 JKGE Cl[C@H](c1c(Br)sc(Br)c1Br)[C@H]1C[C@H]2CCC[C@H]1CC2 2338741073 KYUWTNSQIUUGIX-PEFMBERDSA-N 491.514 7.532 50 10 JKGE Fc1ccc(Oc2cc(Br)cc(Br)c2)c(CBr)c1Cl 2338866056 VHKPMVGVDSTKJH-UHFFFAOYSA-N 473.361 6.691 50 10 JKGE Cc1cc(Br)c(F)c(Br)c1[C@@H](Br)[C@@H]1CCCOCC1 2339680908 BWPWHGJJZNULEW-SKDRFNHKSA-N 458.991 5.912 50 10 JKGE CO[C@H]1C[C@@H](C[C@H](Br)c2c(C)cc(Br)c(F)c2Br)C1 2339685748 IFZUDGPVBFZHFP-AEJSXWLSSA-N 458.991 5.910 50 10 JKGE CO[C@]1(C(F)F)C[C@H]([C@@H](Br)c2c(Cl)sc(Br)c2Cl)C1 2343012693 SWABGAGMSLWBMD-GPGOKOMYSA-N 458.977 6.314 50 10 JKGE Brc1ccc([C@H](Br)[C@H]2C[C@@H]3CCCCCC[C@@H]32)c(Br)c1 2358114154 FDSLPCXADPGBGB-ONQXIZJVSA-N 465.067 7.254 50 10 JKGE CSc1ccccc1[C@H](Cl)c1c(Cl)cc(Br)c(F)c1Br 2362224574 MDYCGQHXCUBHDL-ZDUSSCGKSA-N 459.005 7.054 50 10 JKGE O=S1(=O)CCC([C@H](Cl)c2c(Cl)cc(Br)c(F)c2Br)CC1 2362234684 IAODNIMXSWOJHP-NSHDSACASA-N 468.997 5.109 50 10 JKGE Fc1c(Br)cc(Cl)c([C@H](Br)[C@@H]2[C@H]3CCCCC[C@H]32)c1Br 2362236631 PUKYZBASKDLLEL-AOOGTALZSA-N 489.448 7.266 50 10 JKGE COc1c(Br)cc(C)c([C@H](Br)[C@@H]2C[C@@H]2[C@@H]2C[C@@H]2C)c1Br 2365192562 WMRMWKSBIDLRLM-KUGWDNBSSA-N 467.039 6.257 50 10 JKGE COc1c(Br)cc(C)c([C@H](Br)[C@H]2CCC(F)(F)C2)c1Br 2365197094 SMIOLIUWYBRYON-GZMMTYOYSA-N 476.981 6.400 50 10 JKGE COc1cc([C@@H](Br)c2c(F)cc(F)c(Br)c2F)sc1Cl 2365841180 UMPGMPYKZVKDHF-SNVBAGLBSA-N 450.501 6.074 50 10 JKGE Clc1cc(Cl)cc(CC[C@H](Cl)c2ccc(OCc3ccccc3)cc2Br)c1 2366799250 WNOUKPAOHJERJE-QFIPXVFZSA-N 484.648 8.248 50 10 JKGE Clc1cc(CN2C[C@@H]3C[C@@H](CBr)C[C@@H](C3)C2)ccc1I 2369236241 NINYQFXSSBLVMG-ZSOGYDGISA-N 468.604 5.188 50 10 JKGE Cl[C@H](c1ccc(I)cc1)c1cc2c(cc1Br)OCCC2 2369627937 BOFKAGHAOJELHS-MRXNPFEDSA-N 463.540 5.707 50 10 JKGE F[C@@]12CCC[C@]1(CBr)CN(Cc1cc(I)ccc1Cl)C2 2380514189 ZJOKIKXYIYHLIZ-LSDHHAIUSA-N 472.567 5.034 50 10 JKGE FC(F)(F)[C@H]1C[C@@H](Br)CCN1Cc1cc(I)ccc1Cl 2380515448 PVMYHZHTSZKFLO-JOYOIKCWSA-N 482.509 5.235 50 10 JKGE CCCOc1ccc(/C=N/NC(=O)COc2ccc3ccccc3c2Br)c(OCCC)c1 3174868 DMEOUFNXIANEOL-JVWAILMASA-N 499.405 5.709 50 10 JKGE CCSc1ccsc1[C@@H]1C(C#N)=C(N)N(c2ccc([N+](=O)[O-])cc2Cl)C2=C1C(=O)CCC2 4003270 OKOWHGVWNWQVMU-LJQANCHMSA-N 487.006 5.726 50 10 JKGE Cc1c(Cl)cccc1N/C(SCc1ccccc1F)=C(/C#N)S(=O)(=O)c1ccccc1 20325485 VUBUKAUZRNVUFR-GHVJWSGMSA-N 472.994 6.299 50 10 JKGE CSc1sc(C)cc1[C@H]1C(C#N)=C(N)N(c2cc([N+](=O)[O-])ccc2Cl)C2=C1C(=O)CCC2 27550470 VIENRLWMPDHYBZ-IBGZPJMESA-N 487.006 5.645 50 10 JKGE CCOc1ccc(-c2csc(/C(C#N)=C\c3ccc(I)cc3)n2)cc1 33391366 FBMXXIQOSYELHQ-WJDWOHSUSA-N 458.324 5.878 50 10 JKGE Cc1cc(OCCOc2ccc(/C=C(/C#N)C(=O)NCc3ccco3)cc2Cl)ccc1Cl 33708086 YXNMWYQRPIPDDQ-PDGQHHTCSA-N 471.340 5.576 50 10 JKGE CCOc1cc(/C=C2/C(=O)N(Cc3ccc(C)cc3)C(=O)C(C#N)=C2C)ccc1OCc1ccccc1 38608458 ZBSXAFJWPZKGAH-WGOQTCKBSA-N 492.575 5.765 50 10 JKGE CC(C)c1ccc(O[C@@H](C)C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@H]3c2ccccc2Cl)cc1 38651091 QCPFJPMTEVKLSV-QLXKLKPCSA-N 488.971 6.054 50 10 JKGE C=CCOc1ccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4ccccc4Cl)ccc32)cc1OC 38680843 WBEUIGMFNNRJLN-VWLOTQADSA-N 488.927 5.351 50 10 JKGE CCCOc1cccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4ccc(OCC(C)C)cc4)ccc32)c1 38684450 MHZMAWABBSJLEY-MUUNZHRXSA-N 498.579 5.948 50 10 JKGE Cc1c(C(=O)Nc2ccc(Cl)cc2Cl)oc2c1/C(=N/NC(=O)Cc1ccccc1)CCC2 40815660 QLMCATYRFAVPDP-TURZUDJPSA-N 470.356 5.546 50 10 JKGE CCCCCCOc1ccc(/C=N/NC(=O)COc2ccc(Br)cc2CC)cc1OC 40959871 TYLDKWWPJWRMAI-WGOQTCKBSA-N 491.426 5.508 50 10 JKGE COc1ccc(/C=C(\C#N)C(=O)Nc2cccc(C(F)(F)F)c2)cc1COc1c(C)cccc1C 58978575 NLRWHFAYPJDYKX-UDWIEESQSA-N 480.486 6.456 50 10 JKGE Cn1c(SCCCC(=O)N/N=C/c2ccccc2OCc2ccccc2Cl)nc2ccccc21 58991737 VZGAHINKUHRKII-OGLMXYFKSA-N 493.032 5.828 50 10 JKGE Cc1ccc(NC(=O)/C(C#N)=C\c2cc(Br)ccc2OCc2cccc(Cl)c2)cc1C 59201035 VCRASSABOPHVQE-NDENLUEZSA-N 495.804 6.844 50 10 JKGE C#CCn1cc(/C=N/NC(=O)c2ccc(-n3c(C)ccc3-c3ccccc3)cc2)c2ccccc21 59679923 IZLNOGRLZQCFNZ-AJBULDERSA-N 456.549 5.805 50 10 JKGE C[C@H]1COc2ccc([C@H](Br)c3cccc(I)c3)cc2OC1 70511249 PTLDCYXZPITBFQ-APPDUMDISA-N 459.121 5.183 50 10 JKGE CCOc1cc(/C=C(/C#N)c2nc3sc4c(c3c(=O)[nH]2)CC[C@@H](C)C4)cc(Br)c1O 95949641 JHCDEVZQICHYJY-NUBYWOLOSA-N 486.391 5.040 50 10 JKGE CC[C@@H]1[C@H](C)[C@H](Nc2ccc(SC#N)cc2)c2ccccc2N1C(=O)c1ccc(C(C)C)cc1 98026787 HCLBIUVDGKKIDF-GFNGZDJJSA-N 469.654 7.611 50 10 JKGE C=CCN1C(=O)C(C#N)=C(C)/C(=C\c2cn(-c3ccccc3)nc2-c2ccc3ccccc3c2)C1=O 101231067 ILIUMAVDRUSMET-YZSQISJMSA-N 470.532 5.471 50 10 JKGE CCCCCCCCCCCCCCCCNc1ncnc(NNC(=O)c2ccc(OC)cc2)c1N 101531861 XYCDQMXVAYADTB-UHFFFAOYSA-N 498.716 6.718 50 10 JKGE Cl[C@@H](c1cc2c(cc1Br)OCCCO2)c1ccccc1I 109821472 YTCITSBBHFAONW-MRXNPFEDSA-N 479.539 5.543 50 10 JKGE Cl[C@@H](c1ccc(I)cc1)c1cc2c(cc1Br)OCCO2 109821650 DUQMTQOSPBIXSY-HNNXBMFYSA-N 465.512 5.153 50 10 JKGE CCc1ccc(CC(CBr)(CBr)c2cccc(Br)c2)s1 118878798 OLGKKHPDGOKKPA-UHFFFAOYSA-N 481.091 6.343 50 10 JKGE Cc1ccc(Br)cc1[C@H](Br)c1cc(Cl)c(Br)s1 127579772 ZQLOEKRVNVLVSP-NSHDSACASA-N 459.428 6.719 50 10 JKGE Cc1ccc([C@H](Br)c2cc(Cl)c(Br)s2)cc1Br 130493652 HBVCUDJNALSGHX-NSHDSACASA-N 459.428 6.719 50 10 JKGE CCOC(=O)c1ccc(-c2ccc(/C=C3\C(=O)N(Cc4ccc(C)cc4)C(=O)C(C#N)=C3C)o2)cc1 214380535 WEXMCIYUYYAZPC-IWIPYMOSSA-N 480.520 5.224 50 10 JKGE C[C@@H]1CCC[C@H](NC(=O)[C@H](c2ccc(F)cc2)N(CCc2ccccc2)C(=O)CCl)[C@@H]1C 230275694 NRCBDAJWYNIMMC-HMDZOYOFSA-N 459.005 5.118 50 10 JKGE Cc1cc(Cl)c([C@H](Br)c2ccc(Br)cc2Br)cc1C 235844554 GHFYCXQGLFFOQQ-OAHLLOKOSA-N 467.426 6.966 50 10 JKGE Cc1cc(C(=O)NN=Cc2ccccc2OCc2ccc(Br)cc2)c2ccccc2n1 245225876 WYUQWQIFUOBSDM-UHFFFAOYSA-N 474.358 5.649 50 10 JKGE COc1cc(C=NNC(=O)c2cc(-c3ccccc3OC(C)C)nc3ccccc23)ccc1O 252602409 FHMBUCAZNBSCNG-UHFFFAOYSA-N 455.514 5.167 50 10 JKGE Clc1cc(CC(CBr)(CBr)c2ccccc2Br)cs1 378996900 SRIVEBDZHYXLBG-UHFFFAOYSA-N 487.482 6.434 50 10 JKGE Fc1c(Br)cccc1[C@H](Cl)c1scc(C(F)(F)F)c1Br 380310750 IAHJCZBELHIPMH-VIFPVBQESA-N 452.492 6.759 50 10 JKGE Oc1c(Cl)cc(Cl)cc1[C@@H]1CN(Cc2ccccc2)C[C@H]1CI 382715939 KJDUFOBFKRXVIF-CZUORRHYSA-N 462.158 5.350 50 10 JKGE COc1cc([C@H](Br)c2cscc2Br)c(OC)cc1Br 404768177 OAHOCXLOKCGTSQ-ZDUSSCGKSA-N 471.008 5.775 50 10 JKGE CC(C)(C)[Si](C)(C)OCCc1ccc([C@@H]2CCCCN2S(=O)(=O)c2ccccc2)cc1 616615968 HADCIFOSZJAFIX-DEOSSOPVSA-N 459.728 6.167 50 10 JKGE Oc1nc2cc([C@@H](Br)c3ccsc3Br)c(Br)cc2[nH]1 698575865 NNWLFRVEQADXHB-JTQLQIEISA-N 466.980 5.339 50 10 JKGE Brc1ccc(Br)c([C@@H](Br)c2ccsc2Br)c1 698679597 BGZGESNNYVIFFZ-JTQLQIEISA-N 489.852 6.520 50 10 JKGE CN(C(=O)c1scc(Br)c1Br)[C@H]1CCCC[C@@H]1Br 705408966 KLGNJXBFEQLIGM-CBAPKCEASA-N 460.029 5.051 50 10 JKGE BrCC(CBr)(CC12CC(CO1)C2)c1ccccc1Br 716061127 KOJQVWKCCMMWBP-UHFFFAOYSA-N 453.012 5.046 50 10 JKGE C[C@@H](COCc1ccccc1)CC(CBr)(CBr)C1CCCCCC1 719439089 LOZVYCSJYIQBFR-GOSISDBHSA-N 460.294 6.976 50 10 JKGE Cc1sc(Br)cc1[C@H](Br)c1cccc(F)c1I 721671985 JXJMIBMKMDTZNA-LLVKDONJSA-N 489.973 6.047 50 10 JKGE Cc1sc([C@H](Br)c2c(F)cccc2Br)c(C)c1Br 724928414 MMHLBAOQJKDFSQ-GFCCVEGCSA-N 457.000 6.513 50 10 JKGE CC(/C=C/c1ccccc1F)=NNC(=O)c1ccc(OCc2ccc(Br)cc2)cc1 1081098283 RQXZIMWLGLZOER-AZUOLFAESA-N 467.338 5.986 50 10 JKGE CCOc1cc(/C=C(\C#N)C(=O)Nc2cccc(Cl)c2Cl)c(Br)c(Cl)c1O 1084142499 BCKKOBGQOKVXIC-UXBLZVDNSA-N 490.568 6.059 50 10 JKGE Cc1ccc(-n2nc(C)c(C=NNC(=O)CN(Cc3ccccc3)Cc3ccccc3)c2C)cc1C 1084145586 GZFCIZFZXBFOOU-UHFFFAOYSA-N 479.628 5.258 50 10 JKGE Cc1nn(-c2ccccc2)c(N2CCCCC2)c1C=NNC(=O)CCCNc1ccc(Cl)cc1 1084351018 DPVCDEJSYDHDND-UHFFFAOYSA-N 479.028 5.167 50 10 JKGE CCN(CC)c1ccc([C@@H]2CN(C(=O)OCc3ccccc3)C[C@@H]2CI)cc1 1614704801 XDCMJHXIPCNOMJ-UNMCSNQZSA-N 492.401 5.320 50 10 JKGE Cc1ccc(NC(=O)c2oc3c(c2C)C(=NNC(=O)c2ccc4ccccc4n2)CCC3)cc1Cl 1772751555 UFSMNVJSAOFDBB-UHFFFAOYSA-N 486.959 5.821 50 10 JKGE CCCOc1c(Br)cc([C@H]2C(C#N)=C(N)Oc3c2c(CCC)nn3CCC)cc1OC 1865691088 IWWPXHROVNUTTQ-IBGZPJMESA-N 489.414 5.024 50 10 JKGE CCCCCOc1ccc([C@@H]2C(C#N)=C(N)Oc3c2c(CC)nn3-c2ccc(Cl)cc2)cc1 1865692919 JVRVTCGNDHXNEU-HSZRJFAPSA-N 462.981 5.875 50 10 JKGE COc1ccc(-c2nn(Cc3ccccc3)c3c2[C@@H](c2sccc2C)C(C#N)=C(N)O3)cc1 1865698738 BOZVGAVBMNPXCV-NRFANRHFSA-N 454.555 5.195 50 10 JKGE CC[C@](C)(NC(=O)[C@@H](c1ccc(OC)cc1)C1CCCC1)C(=O)Nc1ccc(SC#N)cc1 1867014837 ZKEUUOOMZLQNSH-BVAGGSTKSA-N 465.619 5.466 50 10 JKGE COc1ccc(OC)c(-c2c(C)c3ccc(OCc4ccc(CCl)cc4)cc3oc2=O)c1 1871436599 HCLWWQVAFBYMEU-UHFFFAOYSA-N 450.918 6.103 50 10 JKGE COc1ccc(-c2csc(/C(C#N)=C(\O)CCCOc3cc(C)c(Cl)c(C)c3)n2)cc1 1872745937 KMSURPYQSTWNKW-XDOYNYLZSA-N 454.979 6.741 50 10 JKGE Cc1ccc(-c2csc(/C(C#N)=C(\O)c3ccc4c(c3)C(=O)N(CCc3ccccc3)C4=O)n2)cc1 1872749583 YEIQDHIPDOIDRB-LCUIJRPUSA-N 491.572 5.907 50 10 JKGE COc1ccc(Cl)cc1N1C[C@H](/C(O)=C(\C#N)c2nc(-c3cccs3)cs2)CC1=O 1872750972 WDKJVGVVSKNGOV-KMCFQHSYSA-N 457.964 5.379 50 10 JKGE CCCCCOc1ccc(/C=C(\C#N)c2nc(-c3ccc(OCCC)c(OCCC)c3)cs2)cc1 1872790028 FXLMDYMZBJBNOB-HKOYGPOVSA-N 490.669 8.021 50 10 JKGE COc1ccc(OC)c(-c2csc(/C(C#N)=C/c3ccccc3OCc3ccccc3Cl)n2)c1 1872791952 ZDWRKMFIMBGFAW-DEDYPNTBSA-N 488.996 7.124 50 10 JKGE CCOc1ccc(/C=C(/C(=O)Nc2sc(/C(C)=C/C#N)c(C)c2C(=O)OC)c2ccccc2)cc1 1873427019 DBDKEDOPOVXDMV-FIOOURFYSA-N 486.593 6.348 50 10 JKGE Cc1cc([C@H](Br)c2c(Br)sc(Br)c2Cl)ccc1Cl 1923055851 ZSKSFCQTVXRUIS-VIFPVBQESA-N 493.873 7.373 50 10 JKGE C[C@H](c1ccncc1Br)[C@@H](Cl)c1cc(Br)sc1Br 1924037514 ZLJHMEIQIWCRHJ-KSBSHMNSSA-N 474.443 6.514 50 10 JKGE Clc1c(Br)sc(Br)c1[C@H](Br)[C@@H]1C2C[C@@H]3C1[C@@H]3C2 2016553128 RCRKZVNJFWGRKM-IVIYWSAGSA-N 461.444 6.265 50 10 JKGE CCCN[C@H](c1c(Br)sc(Br)c1Cl)[C@H]1C[C@@H]1Br 2020191455 XXRQNXNBUNKPMB-WATHFIQWSA-N 466.464 5.751 50 10 JKGE CCc1cc(Br)c([C@H](Br)c2cc(F)cc(Br)c2)s1 2029232552 JRUMIJZRILFKLE-GFCCVEGCSA-N 457.000 6.459 50 10 JKGE CCn1ncc(Br)c1[C@@H](Br)c1sc(C)c(Br)c1C 2033245785 DQNUGSGGOPCBKP-SNVBAGLBSA-N 457.029 5.591 50 10 JKGE C[C@@H](CCOc1c(Br)cc(CBr)cc1Br)C(F)F 2039987468 NYBQOFKUXSQYMD-ZETCQYMHSA-N 450.943 5.777 50 10 JKGE CC1(C)C[C@H](C[C@H](Br)c2c(Br)sc(Br)c2Cl)CO1 2041481534 FGXPVEVPHZNEAZ-BQBZGAKWSA-N 481.475 6.568 50 10 JKGE Cc1occc1C(=O)NN=CC1=C(N2CCOCC2)C(=Cc2ccc(Cl)cc2Cl)CC1 2042434544 CPPSAVGMLCEKFA-UHFFFAOYSA-N 460.361 5.074 50 10 JKGE Clc1c(Br)cccc1C[C@@H](Br)c1ccccc1Br 2081413689 UTFQPGGBOHNBBG-CYBMUJFWSA-N 453.399 6.544 50 10 JKGE CCCC[C@@H](C)CC[C@H](Br)c1sc(Br)c(C)c1Br 2086056974 LXRUIODQRSAFKZ-KOLCDFICSA-N 461.101 7.624 50 10 JKGE CC(C)Cn1c(CBr)nnc1-c1c(Br)cccc1Br 2094098913 RDIKWJIQKZONJG-UHFFFAOYSA-N 451.988 5.021 50 10 JKGE Cc1sc(Br)c([C@H](Br)c2ccc(F)c(Br)c2F)c1C 2101011602 GUEKCAGICXTDHL-SNVBAGLBSA-N 474.990 6.652 50 10 JKGE CC1(C)CC[C@H](Br)[C@H](Cc2cc(Br)ccc2Br)CC1 2122944650 MQICNZWRUBMWGH-NHYWBVRUSA-N 453.056 6.734 50 10 JKGE Cc1ccc([C@H](Br)c2c(Br)nn(C)c2C)c(C)c1Br 2131600439 VFFYJJIFUPQECZ-ZDUSSCGKSA-N 451.000 5.355 50 10 JKGE Cc1cc(Br)c(C)c([C@@H](Br)c2ccccc2Cl)c1Br 2136378775 FYXCYAGTIGLAQB-HNNXBMFYSA-N 467.426 6.966 50 10 JKGE Clc1cc(COc2cccc(CBr)c2Cl)ccc1I 2142946927 NXTSMLPFTGLMRS-UHFFFAOYSA-N 471.947 6.072 50 10 JKGE Brc1cccc([C@H](Br)c2cccc3ccccc23)c1Br 2148754247 ZIZRYWGMOXIUGL-MRXNPFEDSA-N 454.987 6.849 50 10 JKGE FC1CCC(CC(CBr)(CBr)c2cccc(Br)c2)CC1 2149422753 VUICEQNQRNFVCM-UHFFFAOYSA-N 471.046 6.395 50 10 JKGE COCCCCN(Cc1ccccc1)S(=O)(=O)c1cc(CBr)c(Cl)cc1Cl 2179827905 KEPYYTXGUBOKTQ-UHFFFAOYSA-N 495.266 5.506 50 10 JKGE Fc1cccc(C(CBr)(CBr)Cc2cc(Cl)sc2Cl)c1 2195407810 ROYVKKMHZMDTJM-UHFFFAOYSA-N 461.021 6.464 50 10 JKGE Cc1c(Br)ccc([C@H](Br)[C@@H]2[C@@H]3CCCC(F)(F)[C@H]32)c1Br 2203707060 UMDXAPFNTAZJMQ-MBGOOHRESA-N 472.993 6.637 50 10 JKGE CO[C@@H]1CC[C@@H]1[C@@H](Br)c1c(Br)sc(Br)c1Br 2211340304 QLWYNGUWLXUPCJ-HBPOCXIASA-N 497.872 5.897 50 10 JKGE Clc1cc(Cl)cc(C[C@H](Br)c2cc(I)sn2)c1 2217392929 AJYLQNBYCCOXFM-VIFPVBQESA-N 462.965 5.733 50 10 JKGE Cc1cc(Br)c([C@H](Br)c2sccc2Br)c(C)c1Cl 2217612357 DBDRLNGGLNODAL-NSHDSACASA-N 473.455 7.028 50 10 JKGE Cc1c(Br)csc1[C@H](Br)c1cc(Br)c(Cl)cc1F 2219006393 RWDREFOGVFOPDC-LLVKDONJSA-N 477.418 6.858 50 10 JKGE Fc1cc(Br)c(Br)cc1[C@@H](Br)[C@H]1CC12CCOCC2 2225636005 YVPLSFIMTCTYOE-NOZJJQNGSA-N 456.975 5.603 50 10 JKGE Cc1ccc([C@@H](Br)c2sc(Br)c(C)c2Br)c(F)c1F 2231339943 GYMDYZHOUPSSFL-SECBINFHSA-N 474.990 6.652 50 10 JKGE C[C@H]1C[C@@H]([C@H](Br)c2c(Br)cc(Cl)c(Cl)c2Cl)C[C@@H](C)O1 2232521900 VXPMRKBYPAYMGI-FCGKXJCRSA-N 465.440 7.049 50 10 JKGE Cc1cc(Br)c(F)c([C@H](Br)Cc2ccc(Br)cc2Cl)c1 2237457343 FJIKUEZSSWNVGI-GFCCVEGCSA-N 485.416 6.991 50 10 JKGE Cc1c(Br)sc([C@H](Br)[C@@H]2CCC(F)(F)C2)c1Br 2252717637 CWQMPLHPWMGHSN-HTRCEHHLSA-N 452.984 6.453 50 10 JKGE COc1c(Br)cc(Cl)cc1[C@H](Br)c1occc1Br 2253402882 JQTJASZFVGWFJN-JTQLQIEISA-N 459.359 5.951 50 10 JKGE COc1cc(C)c(Br)c(C)c1[C@@H](Br)c1csnc1Br 2269594894 HNKCCSGTNLGCNV-LBPRGKRZSA-N 470.024 5.778 50 10 JKGE COCCC1([C@@H](Br)c2c(F)cc(Br)c(F)c2Br)CC1 2272722411 SNFQKUDVGQXUFZ-LBPRGKRZSA-N 462.954 5.743 50 10 JKGE CCCC[C@H](C)CC[C@@H](Br)Cc1cc(Br)cc(Br)c1 2277956715 QLHZAGXMWYUCRC-GXTWGEPZSA-N 455.072 7.124 50 10 JKGE Cc1cc(Br)c([C@H](Cl)c2cccc(Br)c2Br)c(C)c1F 2279149179 MOFGFBPWPGUVBI-CQSZACIVSA-N 485.416 7.058 50 10 JKGE C[C@H](Cl)c1nc(O)c2c(-c3cc(Br)c(Br)s3)csc2n1 2281277210 ZZRAFZFBLCWPNJ-BYPYZUCNSA-N 454.596 5.950 50 10 JKGE Cc1c(Br)cccc1CO[C@@H](CI)c1ccc(Cl)cc1 2283656083 WWDFFUBPPNCHKZ-INIZCTEOSA-N 465.556 6.104 50 10 JKGE Fc1ccc([C@@H](Cl)c2c(F)cc(Br)c(F)c2Br)cc1Br 2288354480 MFXGLBXCSOMQGV-GFCCVEGCSA-N 493.342 6.720 50 10 JKGE Fc1cc(Br)c(F)c(Br)c1[C@H](Br)[C@H]1CCCCC12CC2 2288484311 REBQYKPNSAWSBT-PRHODGIISA-N 472.993 6.896 50 10 JKGE COc1cc(C=C(C#N)C(=O)Nc2cccc(Cl)c2C)ccc1OCc1cccc(C(=O)O)c1 2294171907 IONBYZCKIIXGRL-UHFFFAOYSA-N 476.916 5.480 50 10 JKGE Cc1cc(C)cc(NC=C(C#N)c2nc(-c3cc4cc(Br)ccc4oc3=O)cs2)c1 2295894380 ZKJGLOXZKCQLIM-UHFFFAOYSA-N 478.371 6.272 50 10 JKGE CCOC(=O)c1c(NC(=O)C(C#N)=Cc2ccc(-c3cccc([N+](=O)[O-])c3)o2)sc2c1CCCC2 2295959100 GIHXUMSCKOGNTK-UHFFFAOYSA-N 491.525 5.517 50 10 JKGE N#CC(=Cc1c[nH]c2ccccc12)C(=O)Nc1ncc(Cc2cc(Cl)ccc2Cl)s1 2296818179 VUUMFONUAPSEOY-UHFFFAOYSA-N 453.354 6.068 50 10 JKGE Cc1ccc(NC(=O)C(C#N)=Cc2ccc(-c3ccc(Br)cc3)o2)c([N+](=O)[O-])c1 2297306950 IAKPGVXJDMFKLS-UHFFFAOYSA-N 452.264 5.471 50 10 JKGE COc1cc(C=C(C#N)C(=O)Nc2ccc(SC(F)F)cc2)ccc1OC(=O)c1cccs1 2297381550 RWRQPHFTGTWDHD-UHFFFAOYSA-N 486.521 5.836 50 10 JKGE CC(C)(C)[C@@H](CBr)CSc1cc(I)ccc1Br 2300792660 NVTFDXIOWKXKPZ-VIFPVBQESA-N 492.058 6.203 50 10 JKGE CCO[C@@H]1CC[C@@H]([C@H](Br)c2ccc(OCc3ccccc3)cc2Br)C1 2314447092 WQSZTIMHSKPPOW-LZJOCLMNSA-N 468.229 6.669 50 10 JKGE N#CC(=Cc1ccc(-c2ccc([N+](=O)[O-])cc2Cl)o1)C(=O)Nc1ccc(OC(F)(F)F)cc1 2314572089 SHNQHOIHBYERMO-UHFFFAOYSA-N 477.782 5.952 50 10 JKGE CCc1ccc(C[C@H]2SC(=C(C#N)C(=O)Nc3ccccc3)N(c3ccc(CC)cc3)C2=O)cc1 2314593673 QVRRKRDFFCCALJ-AREMUKBSSA-N 481.621 5.876 50 10 JKGE Cc1ccc(N2C(=O)[C@@H](Cc3ccc(Cl)cc3)SC2=C(C#N)C(=O)NCc2ccco2)cc1C 2314594085 YXGLFPPKRBZYRR-HSZRJFAPSA-N 492.000 5.293 50 10 JKGE CCCCCCOc1ccc(C=C(C#N)C(=O)Nc2sc3c(c2C(=O)OCC)CCC3)cc1OC 2314728830 MTDRHADJQCYOSH-UHFFFAOYSA-N 496.629 5.927 50 10 JKGE CCOC(=O)c1c(-c2ccc(CC)cc2)csc1NC(=O)C(C#N)=Cc1ccc(Cl)cc1 2314754253 NUESNFFYIUFOBD-UHFFFAOYSA-N 464.974 6.353 50 10 JKGE CCOC(=O)C(C#N)=Cc1ccc(OC(=O)CCCOc2ccc(C(C)(C)CC)cc2)c(OCC)c1 2314808139 AMQJGLZCAIVOKT-UHFFFAOYSA-N 493.600 6.008 50 10 JKGE CCCC1CCC([C@@H](Br)c2sc(Cl)cc2I)CC1 2316770063 DQOUJUKQTQDTNQ-SRHKJQAYSA-N 461.634 7.049 50 10 JKGE CC(C)(C)OC(=O)N1C[C@H](OCCCc2cc(Cl)cc(Cl)c2)[C@H](Br)C1 2318688660 UZSCDMICCCOHPP-CVEARBPZSA-N 453.204 5.325 50 10 JKGE COCc1ccc([C@H](Br)c2sc(Br)c(C)c2Br)s1 2319404528 WIFLWMUIEMPUQW-JTQLQIEISA-N 475.065 6.274 50 10 JKGE CC(=NNC(=O)c1ccc(-c2ccc(Cl)c(Cl)c2)nc1C)c1ccc(Br)cc1 2321281181 DKBCCVWJMCQAHU-UHFFFAOYSA-N 477.189 6.280 50 10 JKGE CCOc1ccc(C)cc1[C@H](C)NC(=O)C(C#N)=CNc1ccc(-c2nc3ccc(C)cc3s2)cc1 2325075954 SLTQXOFGISGNQH-FQEVSTJZSA-N 496.636 6.676 50 10 JKGE COc1ccc(C=C2Oc3cc(OCc4cccc(CCl)c4)ccc3C2=O)c(OC)c1OC 2325358483 XTQOMVLMMGLJIV-UHFFFAOYSA-N 466.917 5.646 50 10 JKGE COC(=O)c1ccc(C(C#N)=Cc2ccc(OCc3ccc(Br)cc3)c(OC)c2)o1 2331048422 CKLIJBLWQUSWEV-UHFFFAOYSA-N 468.303 5.480 50 10 JKGE CCCOc1ccc(-c2csc(C(C#N)=C(O)c3cccc(OC(C)=O)c3)n2)cc1OCCC 2331293197 FXMSZMSJRNWZKL-UHFFFAOYSA-N 478.570 6.263 50 10 JKGE CCOc1ccc(OCC)c(-c2csc(C(C#N)=C(O)COc3cc(Cl)ccc3Cl)n2)c1 2331376519 MIXOOFNUHPGOOK-UHFFFAOYSA-N 491.396 6.786 50 10 JKGE Cc1ccc(-c2csc(C(C#N)=C(O)c3ccc4c(c3)C(=O)N(C3CCCCC3)C4=O)n2)cc1C 2331382714 YRHJTSMYPYODNZ-UHFFFAOYSA-N 483.593 6.306 50 10 JKGE CCCCOc1ccc(C(O)=C(C#N)c2nc(-c3cc(C)c(OC)cc3C)cs2)cc1OCC 2331402983 NORUGRNASNGXSV-UHFFFAOYSA-N 478.614 6.963 50 10 JKGE COc1ccc(-c2csc(C(C#N)=C(O)c3cccc(Oc4ccccc4)c3)n2)c(OC)c1OC 2331412779 HCMLACZADHIJHE-UHFFFAOYSA-N 486.549 6.578 50 10 JKGE CCCOc1c(Br)cc(C=C(C#N)c2nc(-c3ccc(OC)c(C)c3)cs2)cc1OC 2331429626 NRBLMGUFAUXNGP-UHFFFAOYSA-N 499.430 6.751 50 10 JKGE COc1ccc(-c2csc(C(C#N)=Cc3ccccc3OCc3ccccc3Cl)n2)cc1C 2331429752 ZHQSELQCATWOKL-UHFFFAOYSA-N 472.997 7.424 50 10 JKGE Cc1ccc(C)c(-c2csc(C(C#N)=Cc3ccccc3OCc3ccc(Cl)cc3)n2)c1 2331445801 NLASYRRWZZXUTH-UHFFFAOYSA-N 456.998 7.724 50 10 JKGE CCCCCOc1ccc(C=C(C#N)c2nc(-c3cc(C)c(Cl)cc3OC)cs2)cc1OCC 2331474325 YIXDOOUVNNQWJS-UHFFFAOYSA-N 497.060 7.812 50 10 JKGE Brc1ccc(OCc2ccccc2)c([C@H](Br)[C@H]2COc3ccccc32)c1 2336046126 BJSSYDZFAICHDF-UGKGYDQZSA-N 474.192 6.640 50 10 JKGE FC[C@@]12CC[C@@]([C@@H](Br)c3ccc(OCc4ccccc4)cc3Br)(CO1)C2 2336071855 HCCWLZOIMJVILR-ACRUOGEOSA-N 484.203 6.373 50 10 JKGE COC1(C(F)(F)[C@@H](Br)c2ccc(OCc3ccccc3)cc2Br)CCC1 2336072104 JLBUYLLAVXHICW-SFHVURJKSA-N 490.182 6.669 50 10 JKGE C[C@]1([C@@H](Br)c2c(Cl)cc(Br)c(F)c2Br)CCCOC1 2337086597 NTCVFNUQMATVNX-STQMWFEESA-N 479.409 6.257 50 10 JKGE Fc1c(Br)cc(Cl)c([C@@H](Br)[C@@H]2[C@@H]3CCCO[C@@H]32)c1Br 2337098386 QHBYUZXIINYLHZ-KTQCSSRESA-N 477.393 5.865 50 10 JKGE CCCc1sc(Br)cc1[C@@H](Br)c1cccc(F)c1Br 2338021808 RZWMBHFNPPHMFA-ZDUSSCGKSA-N 471.027 6.849 50 10 JKGE COc1ccc(C[C@@H](Br)c2cc(C)c(Br)s2)c(Br)c1 2338885653 UCYVLJZAZLDDQL-GFCCVEGCSA-N 469.036 6.269 50 10 JKGE CC[C@@H](C(C)C)[C@@H](Br)c1c(C)cc(Br)c(OC)c1Br 2339657569 ZFGPZJFTYMAGTC-GXFFZTMASA-N 457.044 6.647 50 10 JKGE COc1csc([C@@H](Br)c2c(C)cc(Br)c(F)c2Br)c1 2339675658 SIMFQEKZLZQHPE-LLVKDONJSA-N 472.999 6.214 50 10 JKGE C[C@@H](c1ccncc1Br)[C@@H](Cl)c1ccc(Cl)cc1I 2340050145 NNDSBVLQLAKKLW-RMLUDKJBSA-N 470.963 6.186 50 10 JKGE COC1(C(F)F)CC([C@H](Br)c2ccc(OCc3ccccc3)cc2Br)C1 2343016691 DDUDXRJCHNDZOV-JMARDNNUSA-N 490.182 6.524 50 10 JKGE Cc1cc(Br)c(C(C)C)cc1[C@H](Br)c1cscc1Br 2352796892 MKBCLIUMLGJXNY-HNNXBMFYSA-N 467.064 7.189 50 10 JKGE FC(F)(F)Oc1ccc([C@H](Cl)c2sc(Cl)cc2I)cc1 2364123865 GTMZPEIVIKSNJS-JTQLQIEISA-N 453.050 6.233 50 10 JKGE COc1c(Br)cc(C)c([C@H](Br)[C@H]2CC3(CC3)CO2)c1Br 2365193856 LKIPYGZXPPCJCO-ZYHUDNBSSA-N 469.011 5.534 50 10 JKGE Cc1cc(Br)c(F)c(Br)c1[C@@H](Br)C1(CC2CCC2)CC1 2365195127 YULUONYGWPXVBE-OAHLLOKOSA-N 469.030 7.066 50 10 JKGE CCc1ccc([C@H](Br)c2c(C)cc(Br)c(F)c2Br)cc1 2365215863 OCOGFZZOGUHXKT-AWEZNQCLSA-N 464.998 6.706 50 10 JKGE C[C@@H]1CC2CC([C@H](Br)c3c(Br)cc(Cl)c(Cl)c3Cl)(C2)O1 2368039877 OICHCIKHOOYNPY-XXNGCHEGSA-N 463.424 6.803 50 10 JKGE C[C@H](Br)CN(C(=O)c1cc(Br)cc(Br)c1)C1CCCC1 2368863961 WRWHHUMPLRMCIF-JTQLQIEISA-N 468.027 5.380 50 10 JKGE Brc1ccc([C@@H](Br)c2cc3c(cc2Br)OCCC3)cc1 2369641252 XTHVLHJASOPAMJ-MRXNPFEDSA-N 460.991 6.021 50 10 JKGE Fc1ccc(C[C@@H](CBr)Cc2cc(I)ccc2Cl)cc1 2380530858 HZLZDNWAXMXJAN-GFCCVEGCSA-N 467.547 5.880 50 10 JKGE CCSc1sccc1[C@@H]1C(C#N)=C(N)N(c2cc([N+](=O)[O-])ccc2Cl)C2=C1C(=O)CCC2 27550473 WCSQCEKDCOAAOE-LJQANCHMSA-N 487.006 5.726 50 10 JKGE Cc1ccc(-c2csc(/C(C#N)=C/c3ccccc3OCC(=O)Nc3ccccc3)n2)cc1 35519789 IUWOZBOINBTPGU-PXLXIMEGSA-N 451.551 6.200 50 10 JKGE CC(C)CCOc1cccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4ccc([N+](=O)[O-])cc4)ccc32)c1 38684651 ATSYMESARBWKKT-AREMUKBSSA-N 499.523 5.457 50 10 JKGE COc1ccccc1[C@@H]1C(C#N)=C(N)Oc2cc(OC(=O)c3oc4cc(C)c(C)cc4c3C)ccc21 38687244 RQPXQNLCSYHFHS-SANMLTNESA-N 480.520 5.804 50 10 JKGE COc1ccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4sc5ccccc5c4Cl)ccc32)cc1 38687358 SBTAHLYFVOPZCA-JOCHJYFZSA-N 488.952 6.001 50 10 JKGE CCOC(=O)c1ccccc1NC(=O)c1oc2c(c1C)/C(=N/NC(=O)c1ccccc1Cl)CCC2 40812756 KXHKRNWUTAPGHB-ZTKZIYFRSA-N 493.947 5.141 50 10 JKGE CC(C)(C)CC(C)(C)c1ccc(OCC(=O)N/N=C/c2ccccc2OCc2ccccc2)cc1 40911715 SWIVCEPRIFIHJO-ZCTHSVRISA-N 472.629 6.509 50 10 JKGE CCOc1ccc([C@@H](O)CCC(=O)N/N=C\c2cc(C)n(-c3cc(Cl)ccc3OC)c2C)cc1 58894417 JAROZNALEGEESS-YFKXRKALSA-N 483.996 5.119 50 10 JKGE N#C/C(=C\c1ccc(OCc2ccccc2C#N)c(Br)c1)C(=O)Nc1ccccc1 59432751 JYJYTGOBRPZSOE-UDWIEESQSA-N 458.315 5.445 50 10 JKGE Cc1c(C(=O)O)cccc1-c1ccc(/C=N/NC(=O)c2cc3cc(Br)ccc3o2)o1 59679991 SOTAHUUFYISOON-BHGWPJFGSA-N 467.275 5.226 50 10 JKGE CCN(CC)CCOc1ccc([C@@H](c2ccccc2)[C@@H](Cl)c2ccc(O)c(OC)c2)cc1 95934561 PEXJBROMVLFYHY-SXOMAYOGSA-N 454.010 6.233 50 10 JKGE CCc1nn(C)c(C[C@@H](CBr)Cc2cccc(Br)c2)c1Br 97184836 HAOIRYVAYMJGCS-LBPRGKRZSA-N 479.054 5.304 50 10 JKGE CC1CCC(NC(=O)[C@H](c2ccc(Cl)cc2)N(Cc2ccc3c(c2)OCO3)C(=O)CCl)CC1 97914744 JYNXFNQNTQZJHG-GLVQYQCOSA-N 491.415 5.072 50 10 JKGE O=C(NC1CCCCC1)[C@@H](c1cccc(Br)c1)N(Cc1ccc(F)cc1)C(=O)CCl 97915140 PIRGOBWNYRKHKL-JOCHJYFZSA-N 495.820 5.346 50 10 JKGE CC1=C(C#N)C(=O)N([C@@H](C)c2ccccc2)C(=O)/C1=C/c1ccc(-c2ccc(Cl)c(Cl)c2)o1 101337804 LGEGJSGWVHFNPO-UOEVCUDDSA-N 477.347 6.607 50 10 JKGE CCOc1ccc([C@@H](Br)c2cccc(I)c2)c(Br)c1 126707972 QOKHOZBEECEFSQ-HNNXBMFYSA-N 495.980 5.937 50 10 JKGE Cc1cc(Br)c([C@@H](Br)c2cccc(F)c2Cl)cc1Br 128825291 FCUPWXHCIOHJMJ-ZDUSSCGKSA-N 471.389 6.797 50 10 JKGE Fc1ccccc1C(CBr)(CBr)Cc1cncc(Br)c1 169004801 MHGQUNRCZDPZHB-UHFFFAOYSA-N 465.986 5.254 50 10 JKGE N#C/C(=C/c1ccc(OC(=O)c2ccccc2CCc2ccccc2)cc1)C(=O)NCc1ccco1 206670742 KZRLHIJIKWZLIH-PLRJNAJWSA-N 476.532 5.507 50 10 JKGE CCCCOc1ccc(/C=C(/C#N)C(=O)Oc2cccc(N3C(=O)c4ccccc4C3=O)c2)cc1 206966646 OIZWPFPYKOWXHD-SILNSSARSA-N 466.493 5.179 50 10 JKGE C[C@@]12CC3CC([C@@H](Br)c4cc(Br)c(Br)s4)(C1)C[C@](C)(C3)C2 226745599 CYXWRUPUNDPAII-ATBPWKFESA-N 497.134 7.706 50 10 JKGE Cc1ccc(Br)c([C@@H](Br)c2cc(Br)c(Cl)s2)c1 227849970 BBLUXLCOZGRANP-LLVKDONJSA-N 459.428 6.719 50 10 JKGE CCOc1ccc([C@@H](Br)c2cccc(Br)c2C)cc1Br 228995706 RFYWKMYSYMZYOX-MRXNPFEDSA-N 463.007 6.403 50 10 JKGE C[C@@H]1CCCC[C@H]1NC(=O)[C@H](c1ccccc1Cl)N(CCc1ccccc1)C(=O)CCl 230275196 FNRXHCXFBLOJSR-XANCMCCPSA-N 461.433 5.386 50 10 JKGE CC(C)Oc1ccc([C@@H](Cl)c2cc(Br)ccc2I)cc1 232674921 MECFSBKPDOLDTC-MRXNPFEDSA-N 465.556 6.169 50 10 JKGE Clc1ccc(C[C@@H](Cl)c2cc(I)ccc2Br)cc1Cl 236028374 WLUHOQRTEOKXBE-CYBMUJFWSA-N 490.393 6.883 50 10 JKGE Fc1c(Br)cccc1[C@H](Br)c1scc(C(F)(F)F)c1Br 312776412 FCSYLRBRMDXCHT-QMMMGPOBSA-N 496.943 6.915 50 10 JKGE FC(F)(F)c1csc([C@@H](Br)c2ccc(Cl)c(Cl)c2)c1Br 312858792 QINDHNFNASQHBU-VIFPVBQESA-N 468.947 7.321 50 10 JKGE Cc1cc(Br)ccc1[C@H](Br)c1scc(C(F)(F)F)c1Br 312962646 NMZWPNYMFRWRQV-JTQLQIEISA-N 492.980 7.085 50 10 JKGE CCOc1cc(CBr)cc(Br)c1OCc1ccsc1Br 388897977 SHYXBVREJKFSGI-UHFFFAOYSA-N 485.035 6.146 50 10 JKGE CC(C)(C)OC(=O)NCCN1CCc2ccccc2[C@H]1c1ccc(CO[Si](C)(C)C(C)(C)C)cc1 616681115 UVGSONMJFFJIAA-AREMUKBSSA-N 496.768 6.681 50 10 JKGE Fc1ccc(Br)c(CC(CBr)(CBr)C2CCOCC2)c1 696858989 RPCMFZCKCAIGHG-UHFFFAOYSA-N 473.018 5.334 50 10 JKGE Clc1ccc(Br)c(Oc2ccc(CBr)c(Br)c2)c1 708117098 BLYXWFUSRQXQLG-UHFFFAOYSA-N 455.371 6.552 50 10 JKGE FC(F)c1cscc1[C@@H](Br)c1cc(Br)ccc1Br 717196135 PXBXPZTYVRHEFP-NSHDSACASA-N 460.963 6.695 50 10 JKGE Cc1ccc([C@H](Br)c2ccc(Br)c(F)c2)c(C)c1Br 719541617 XUSLUQKALKAHOI-OAHLLOKOSA-N 450.971 6.452 50 10 JKGE O=C(OCC1c2ccccc2-c2ccccc21)N1CCOc2ccc(CBr)cc2C1 725260793 WSVVGSLKAGVLIL-UHFFFAOYSA-N 464.359 5.725 50 10 JKGE O=C1[C@@H](C[C@]2(F)C(Cl)=CC(c3ccccc3)=C[C@H]2Cl)CCN1[C@H]1CCc2c[nH]nc2C1 1772508754 HVRBUPWVJYOLQC-DTIJRBEXSA-N 460.380 5.041 50 10 JKGE N#CC1=C(N)Oc2c(c(C(F)(F)F)nn2-c2ccc(Cl)c(Cl)c2)[C@@H]1c1ccccc1Cl 1865686510 XBFFPDJXHUFUAJ-OAHLLOKOSA-N 485.680 6.069 50 10 JKGE CCc1nn(-c2ccccc2Cl)c2c1[C@@H](c1ccc(OCc3ccc(C)cc3)cc1)C(C#N)=C(N)O2 1865694194 VKLGZHYPBTZXQD-SANMLTNESA-N 496.998 6.194 50 10 JKGE CCc1nn(-c2ccccc2)c2c1[C@@H](c1ccc(OCc3ccc(C)cc3)cc1)C(C#N)=C(N)O2 1865694517 YQYINGHBCZTBAR-SANMLTNESA-N 462.553 5.540 50 10 JKGE COc1cc([C@@H]2C(C#N)=C(N)Oc3c2c(-c2ccccc2)nn3-c2ccc(C)cc2)ccc1OC(C)C 1865697620 YFIRGYYLGHMUBE-AREMUKBSSA-N 492.579 5.862 50 10 JKGE CCCc1nn(Cc2c(F)cccc2Cl)c2c1[C@@H](c1ccc(F)cc1F)C(C#N)=C(N)O2 1865701848 GQIHIWOXKSEKRW-FQEVSTJZSA-N 458.871 5.173 50 10 JKGE CCCOc1ccccc1[C@@H]1C(C#N)=C(N)Oc2c1c(-c1ccccc1)nn2Cc1cccc(Cl)c1 1865703490 WQIQPGFNHNPFLZ-RUZDIDTESA-N 496.998 6.259 50 10 JKGE COc1cc([C@@H]2C(C#N)=C(N)Oc3c2c(-c2ccccc2)nn3-c2ccc(C)cc2)cc(Cl)c1O 1865706922 IVVFYKJZPXSHPI-JOCHJYFZSA-N 484.943 5.434 50 10 JKGE CCCOc1ccc(/C=N\NC(=O)c2ccc(-c3ccc(Cl)c(Cl)c3)nc2C)cc1OCC 1865762579 PREMCRRAOBTQEI-MBTHVWNTSA-N 486.399 6.315 50 10 JKGE C[C@@H](Cc1ccc(F)cc1)C(=O)N[C@@H](Cc1ccc(F)cc1)C(=O)Nc1ccc(SC#N)cc1 1866821812 MDFAZMSGOGFKMP-XDHUDOTRSA-N 479.552 5.083 50 10 JKGE Cc1ccccc1CCCC(=O)N[C@H](Cc1ccc(F)cc1)C(=O)Nc1ccc(SC#N)cc1 1867118214 BEFDWYHECMJIQK-RUZDIDTESA-N 475.589 5.396 50 10 JKGE COc1ccc2c(c1)C[C@H](C)CN2c1cc(Nc2ccc(SC#N)cc2)nc(-c2ccc(C)cc2)n1 1868320215 FSCZUYIEYYPOHW-FQEVSTJZSA-N 493.636 7.108 50 10 JKGE Cc1nc(C2CCN(c3cc(Nc4ccc(SC#N)cc4)nc(-c4ccccc4)n3)CC2)nn1C 1868364589 AEROAWSNCAPMDG-UHFFFAOYSA-N 482.617 5.281 50 10 JKGE CCOc1ccc(-c2nc(Nc3ccc(SC#N)cc3)cc(N3CC[C@H](c4ccco4)C3)n2)cc1 1868528342 QZCRFYRAUZCXCK-FQEVSTJZSA-N 483.597 6.446 50 10 JKGE COc1cccc(/C=C(\C#N)c2nc3cc(C)ccc3n2C)c1OCc1ccc(Cl)c(Cl)c1 1872728043 LSLVDUMOOYTHSM-CPNJWEJPSA-N 478.379 6.840 50 10 JKGE CCCCc1ccc(N2C[C@H](/C(O)=C(\C#N)c3nc(-c4cccc5ccccc45)cs3)CC2=O)cc1 1872751973 JLMXEMWTJNCMJS-DSWYMIRZSA-N 493.632 7.152 50 10 JKGE COc1ccc(-c2csc(/C(C#N)=C(\O)c3ccc(N(C)C)c([N+](=O)[O-])c3)n2)c(C)c1C 1872754105 CDOJVZKUWAXZMC-XLNRJJMWSA-N 450.520 5.360 50 10 JKGE CCCOc1ccc(C/C(O)=C(\C#N)c2nc(-c3cc(OCC)ccc3OCC)cs2)cc1 1872754778 IRVBXPXAVOAFET-GYHWCHFESA-N 464.587 6.432 50 10 JKGE Cc1cc(C)c(-c2csc(/C(C#N)=C(\O)[C@@H](C)Oc3ccc(Cl)cc3Cl)n2)c(C)c1 1872755760 DTHPQHMUHWGKLH-XQEBGNCTSA-N 459.398 7.302 50 10 JKGE COc1cc(OC)c(-c2csc(/C(C#N)=C(O)/C=C/c3ccc(OC)c(OC)c3)n2)cc1Cl 1872756573 QFSAUIQDTCCDFD-BCGFRQHJSA-N 484.961 6.004 50 10 JKGE COc1cc(/C=C(\C#N)c2nc(-c3cc(C)cc(C)c3OC)cs2)cc(Br)c1O 1872792591 HJBCOQUFJVRSJO-VIZOYTHASA-N 471.376 5.976 50 10 JKGE CCOc1ccc(-c2csc(/C(C#N)=C/c3ccc(OCC)c(OCC)c3)n2)c(OCC)c1 1872793673 MQAXSPDKQCEFQP-CPNJWEJPSA-N 464.587 6.469 50 10 JKGE CCCOc1ccc(-c2csc(/C(C#N)=C(\O)c3ccc(Cl)c([N+](=O)[O-])c3)n2)cc1OCCC 1872818252 UAEAOSAKHXJOCS-QJOMJCCJSA-N 499.976 6.899 50 10 JKGE CCCC[C@H](Br)CCc1ccc(I)c(Br)c1 1904326057 DRFWRAPXNJMLJQ-NSHDSACASA-N 459.991 5.940 50 10 JKGE O=C(c1scc(Br)c1Br)N1CC[C@@]2(CCC[C@@H]2Br)C1 1918928001 RDHYJANJVTUUNT-ZANVPECISA-N 472.040 5.053 50 10 JKGE CC1(C)C[C@H]1CC[C@H](Br)c1c(Br)sc(Br)c1Cl 1923066025 KRVDFBBFDAWCHY-RQJHMYQMSA-N 465.476 7.189 50 10 JKGE Clc1c(Br)sc(Br)c1[C@H](Br)[C@@H]1C[C@H]2O[C@H]1[C@H]1C[C@H]12 1923066963 XCOQKHFYBYKKKC-OKPYYQQTSA-N 477.443 5.786 50 10 JKGE FC(F)(F)C1([C@H](Br)c2c(Br)sc(Br)c2Cl)CC1 1923067002 XNHGHABHZCTEPF-RXMQYKEDSA-N 477.365 6.705 50 10 JKGE CC(C)C(C)(C)[C@H](Cl)c1c(Br)sc(Br)c1Br 1924615697 FHHLFLQHVBERIW-MRVPVSSYSA-N 453.465 6.998 50 10 JKGE Brc1nscc1[C@@H](Br)c1cc(C2CC2)c(Br)s1 1925269267 FBGSXVZZGLOQFE-SECBINFHSA-N 458.038 6.091 50 10 JKGE Cc1cc(Br)sc1[C@@H](Br)c1ccc(Cl)c(Br)c1 1950207578 IEJQKSDHKDMKLE-NSHDSACASA-N 459.428 6.719 50 10 JKGE Clc1c(Br)sc(Br)c1[C@@H](Cl)C1(Br)CCC1 1960900346 PNDREQXAPPMVCG-ZCFIWIBFSA-N 457.840 6.524 50 10 JKGE Cc1cc(C(=O)N(Cc2ccccc2)[C@@H](C)CCBr)ccc1I 1995255933 IGFJXGVAJQHRBP-HNNXBMFYSA-N 486.191 5.416 50 10 JKGE O=S1(=O)CC[C@@H]([C@@H](Cl)c2ccc(OCc3ccccc3)c(OCc3ccccc3)c2)C1 2016681612 DJSLRQLOXZPRNE-RDGATRHJSA-N 456.991 5.559 50 10 JKGE Cc1c(Br)sc([C@H](Br)CCCC(C)(F)F)c1Br 2023312434 VGCLZKZVTCBBQG-SSDOTTSWSA-N 455.000 6.843 50 10 JKGE CCc1sc(Br)cc1[C@@H](Br)c1ccc(Br)c(C)c1 2030216607 BHPGXPGWKNKHJB-AWEZNQCLSA-N 453.037 6.628 50 10 JKGE C[C@@H](N(Cc1ccccc1)S(=O)(=O)c1cc(CBr)oc1Br)C(C)(C)C 2059264282 CUYSULKHBQNSPT-CYBMUJFWSA-N 493.261 5.563 50 10 JKGE C=C(C)[C@@H]1CC[C@]2(C)[C@H](CC[C@@H]3[C@H]([C@](C)(O)C/C=C/C(C)(C)OO)CC[C@]32C)[C@@]1(C)CCC(=O)O 2069574986 LGAAOWVIOGAQEU-RLYHWYRCSA-N 490.725 7.258 50 10 JKGE CCc1nn(C)c([C@H](Br)c2cc(C)c(Br)s2)c1Br 2072302931 QNWRNSUTUOCZBV-SNVBAGLBSA-N 457.029 5.362 50 10 JKGE Cc1cc(Cl)c(Br)cc1[C@H](Cl)c1ccccc1I 2082381193 CQAJFUZYCMOUPJ-CQSZACIVSA-N 455.948 6.344 50 10 JKGE COc1c(Cl)cc(Br)cc1[C@@H](Br)c1coc(Br)c1 2082864931 ZYEIJTXHSPIEAF-NSHDSACASA-N 459.359 5.951 50 10 JKGE CCn1cc(Br)c([C@@H](Br)c2c(Br)sc(C)c2C)n1 2082883763 HNHQASHKXDICNP-JTQLQIEISA-N 457.029 5.591 50 10 JKGE O=C(c1csc(Br)c1Br)N1C[C@H](Br)CC2(CCC2)C1 2094996677 ICBQHPIINJLUPH-MRVPVSSYSA-N 472.040 5.053 50 10 JKGE FC(F)c1cccc([C@H](Br)c2c(Br)sc(Br)c2Cl)c1 2115947429 JDXKBVODPYNCEV-QMMMGPOBSA-N 495.408 7.348 50 10 JKGE COC[C@]12C[C@]([C@H](Br)c3c(Cl)sc(Br)c3Cl)(CO1)C2 2141168462 ZGAZHZFQVOEWRP-GGZOMVNGSA-N 451.007 5.449 50 10 JKGE C[C@H]1Cc2cc([C@H](Cl)c3ccc(I)cc3)cc(Br)c2O1 2146616955 VCYZPFBJMJPSTL-BJOHPYRUSA-N 463.540 5.705 50 10 JKGE O=C(N[C@H]1CCCC[C@@H]1CCBr)c1ccc(Br)cc1Br 2146720034 QUJBHRSOVSDLBD-YGRLFVJLSA-N 468.027 5.285 50 10 JKGE COc1cc(Cl)c([C@@H](Br)c2c(Br)sc(C)c2C)cc1Cl 2157251546 LTMIUHHYKJGRPR-CYBMUJFWSA-N 459.030 6.927 50 10 JKGE Cc1cc(C)c([C@@H](Br)c2nn(C)c(Cl)c2Br)c(C)c1Br 2167049514 GCQIUTWVYSTBQL-LLVKDONJSA-N 485.445 6.008 50 10 JKGE O=C(c1cc(Cl)ccc1I)N(CCBr)Cc1cccs1 2171090349 HVYRSVYKRUMJSF-UHFFFAOYSA-N 484.584 5.043 50 10 JKGE BrCc1cc(Br)c(OCc2cnc(C3CC3)s2)c(Br)c1 2172969601 SWTANYUHZMIIOK-UHFFFAOYSA-N 482.035 6.019 50 10 JKGE FC(F)[C@@H]1CN(Cc2ccccc2)C[C@@H]1n1c(CCl)nc2cccc(Br)c21 2193247733 WHMALPVCJHGXPB-PBHICJAKSA-N 454.746 5.476 50 10 JKGE Cc1ccc([C@@H](Br)c2c(Br)cc(F)c(Cl)c2F)c(Br)c1 2201619101 NVXNRTPFISHBEV-GFCCVEGCSA-N 489.379 6.936 50 10 JKGE COc1cc(F)c([C@H](Br)c2cc(Br)ccc2Cl)cc1Br 2202904866 XXOXCXFUHYNDNT-CQSZACIVSA-N 487.388 6.497 50 10 JKGE COc1c(C)cc(Br)cc1[C@H](Br)Cc1cccc(Br)c1 2206599042 SHSXRIXECHBNII-OAHLLOKOSA-N 463.007 6.207 50 10 JKGE COc1cc(F)c([C@H](Br)c2scc(Br)c2C)cc1Br 2226127538 WXRGBSOAHQOTHU-LBPRGKRZSA-N 472.999 6.214 50 10 JKGE CCOCc1cc(Br)c([C@@H](Br)c2cc(Br)ccc2C)s1 2233024720 XROIFGNGLCGYBS-AWEZNQCLSA-N 483.063 6.602 50 10 JKGE Cc1cc(Br)c([C@H](Br)C(F)(F)[C@@H]2CCOC2)c(C)c1Br 2235610947 ULKXZQFMDDZFJF-RNCFNFMXSA-N 476.981 5.936 50 10 JKGE Cc1cc(Br)c([C@H](Br)C2CC3(CCOC3)C2)c(C)c1Br 2235617043 IOBNSKLYXHBQKL-YWCUFVOSSA-N 467.039 6.081 50 10 JKGE Brc1cc(Br)cc(C[C@H](Br)[C@H]2C[C@H](Br)C2)c1 2246002861 ZAFUNRWRXYPVQF-UWJYBYFXSA-N 475.844 5.691 50 10 JKGE ClCc1ccc(Oc2cc(I)ccc2Cl)cc1Br 2259930130 KEAWWPSFEUJSDK-UHFFFAOYSA-N 457.920 6.238 50 10 JKGE Cc1cccc(Oc2ccc(CBr)cc2Br)c1I 2263451128 UUDMSRCAUOZNFP-UHFFFAOYSA-N 481.953 6.049 50 10 JKGE Cc1cccc([C@H](Br)Cc2cc(Br)cc(Br)c2)c1Cl 2277960022 DNCALYGFCQNUJY-CQSZACIVSA-N 467.426 6.852 50 10 JKGE CC(C)(C)OC(=O)N[C@@H]1CCN(Cc2ccc(CBr)cc2)[C@@H](C(F)(F)F)C1 2281005008 RZDHNBVJSHXBSB-HZPDHXFCSA-N 451.327 5.002 50 10 JKGE COc1c([C@@H](Br)c2ccc(Br)s2)cc(Br)c2c1CCC2 2284592781 DNAHIXOTLBBLPV-CQSZACIVSA-N 481.047 6.255 50 10 JKGE CC1(C)C(C)(C)C1(C)[C@@H](Br)c1c(F)cc(Br)c(F)c1Br 2288361995 FYQPJHXPDIVFBK-LBPRGKRZSA-N 475.009 6.998 50 10 JKGE Fc1cc(Br)c(F)c(Br)c1[C@@H](Br)C(F)(F)[C@H]1CCOC1 2288364659 UHPBQPCWEKYJAS-ULHQUTTKSA-N 484.907 5.598 50 10 JKGE CCOC(=O)C=CCCCCCCCCCO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C 2294818696 KETHGRTTXURBKX-UHFFFAOYSA-N 480.765 6.803 50 10 JKGE COc1cc(Cl)c([C@@H](Br)c2cc(Br)c(Cl)s2)c(OC)c1 2294893798 BNHTYSHKOKDGSQ-LBPRGKRZSA-N 461.002 6.319 50 10 JKGE COc1cc(C)c(Cl)cc1[C@H](Cl)c1cc(Br)ccc1I 2295361339 ZQTIIVKFWPPKCF-OAHLLOKOSA-N 485.974 6.352 50 10 JKGE N#CC(=CNc1ccc2c(C(F)(F)F)cc(=O)oc2c1)c1nc(-c2ccc(F)cc2)cs1 2295937238 BIYRLGJLKYENPK-UHFFFAOYSA-N 457.408 6.051 50 10 JKGE N#CC(=Cc1ccc(OCc2ccccc2)cc1)C(=O)Nc1ccc([N+](=O)[O-])cc1Br 2297551369 FOYICUILUFXRFZ-UHFFFAOYSA-N 478.302 5.482 50 10 JKGE FC1(F)CCC[C@H]1[C@@H](Br)c1ccc(OCc2ccccc2)cc1Br 2299493588 GIZGISSQFVIZCL-WMZOPIPTSA-N 460.156 6.900 50 10 JKGE Cn1nc(Br)c(Br)c1[C@@H](Br)c1cc(Cl)sc1Cl 2301045089 YXACVSRABYHSMA-YFKPBYRVSA-N 483.838 5.798 50 10 JKGE CC[C@@H]1[C@@H](Br)CC[C@@H]1Cc1ccc(I)c(Br)c1 2306199056 IJQDKDYCDAVTRJ-WOPDTQHZSA-N 472.002 5.796 50 10 JKGE CCc1cc([N+](=O)[O-])ccc1-c1ccc(C=C(C#N)C(=O)Nc2ccc(Br)c(C)c2C)o1 2313553169 OKDDMSILKOFNEJ-UHFFFAOYSA-N 494.345 6.342 50 10 JKGE N#CC(=Cc1cc(Br)ccc1OCc1ccc(F)cc1)C(=O)Nc1cccc(Cl)c1 2313631586 SECWCEQQTBFHQJ-UHFFFAOYSA-N 485.740 6.366 50 10 JKGE N#CC1=C(N)Oc2cc(OC(=O)C=Cc3ccccc3Cl)ccc2[C@H]1c1ccccc1Cl 2314634086 KXHPPBNNZHHNAP-XMMPIXPASA-N 463.320 5.830 50 10 JKGE Fc1c(Br)cc(Cl)c([C@@H](Br)C2(C3CC3)CC2)c1Br 2315440306 RAFXLDQGDNMUOJ-GFCCVEGCSA-N 461.394 6.630 50 10 JKGE Brc1cc(Br)c([C@H](Br)[C@H]2COC3(CCC3)CO2)s1 2316793215 WGNNJOBTXAIKFE-PSASIEDQSA-N 461.013 5.047 50 10 JKGE Cc1cc(Br)c(F)c(Br)c1[C@@H](Br)c1ccc(Cl)o1 2317395327 HRUIOPMTNVHIPM-JTQLQIEISA-N 461.350 6.390 50 10 JKGE CCSc1ccc(Cl)cc1CC(=O)NN=Cc1ccc(OC(=O)c2cccs2)cc1 2323681093 CXKRFNWXKSOWKL-UHFFFAOYSA-N 458.992 5.426 50 10 JKGE CC[C@H](C)[C@H](NC(=O)OC(C)(C)C)C(=O)NN=Cc1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1 2328821153 SNAFLSAAXOOZKA-JXFKEZNVSA-N 461.647 5.377 50 10 JKGE COc1c(Cl)ccc(Cl)c1C(O)=C(C#N)c1nc(-c2ccc3ccccc3c2)cs1 2331239199 UKPIHRDFSJGMPV-UHFFFAOYSA-N 453.350 7.229 50 10 JKGE CC(C)CN1C(=O)c2ccc(C(O)=C(C#N)c3nc(-c4cccc5ccccc45)cs3)cc2C1=O 2331338018 SFZBLMRKLUIKRY-UHFFFAOYSA-N 479.561 6.165 50 10 JKGE CC(C)(C)c1ccc(OCCCC(O)=C(C#N)c2nc(-c3c[nH]c4ccccc34)cs2)cc1 2331348583 JKEZWQJPAJFDIR-UHFFFAOYSA-N 457.599 7.241 50 10 JKGE COc1ccc(OC)c(CC(O)=C(C#N)c2nc(-c3cc(Cl)cc(Cl)c3OC)cs2)c1 2331362430 JJVXURKXIIMCNN-UHFFFAOYSA-N 477.369 6.178 50 10 JKGE COc1ccc(OC)c(-c2csc(C(C#N)=Cc3ccc(OC(=O)c4ccccc4)cc3)n2)c1 2331450775 YIMIPXVDWVDUPF-UHFFFAOYSA-N 468.534 6.111 50 10 JKGE COc1c(C)cc(C)cc1-c1csc(C(C#N)=Cc2ccc(OCc3ccccc3)cc2)n1 2331468746 VNGDTIXEOAVBCZ-UHFFFAOYSA-N 452.579 7.079 50 10 JKGE CO[C@@H]1C[C@H]([C@@H](Br)c2cc(Br)ccc2OCc2ccccc2)C12CCC2 2336040352 FASYRPWEAXQJGQ-NRSPTQNISA-N 480.240 6.669 50 10 JKGE Clc1ccc(CNC2(CCBr)CCCCC2)cc1I 2337222643 BVGKCWXQPCYOES-UHFFFAOYSA-N 456.593 5.522 50 10 JKGE CCCc1sc(Br)cc1[C@@H](Br)c1ccc(Br)c(F)c1 2338021635 RINIQDGBJOWVJV-AWEZNQCLSA-N 471.027 6.849 50 10 JKGE Cn1nc(Br)c(Br)c1[C@H](Br)c1ccc(C2CCC2)s1 2338867322 MOQVHCBCAVHLOS-SNVBAGLBSA-N 469.040 5.758 50 10 JKGE COc1c(Br)cc(C)c([C@H](Br)[C@@H]2OCC[C@H]2C)c1Br 2339651793 SJRIBKUAPRKXKQ-BITCUVMXSA-N 457.000 5.390 50 10 JKGE Clc1cc(Cl)cc(CC[C@H](Br)c2ccc(OCc3ccccc3)cc2)c1 2341179458 BLLWDGCVQLGZBK-QFIPXVFZSA-N 450.203 7.641 50 10 JKGE Clc1ccc(I)cc1CO[C@H](CI)c1ccccc1 2352254575 YQSOCZIDCQOJLJ-OAHLLOKOSA-N 498.529 5.638 50 10 JKGE CC(C)(C)OC1CC(C[C@@H](Br)c2cc(Br)ccc2OCc2ccccc2)C1 2361170156 BEQHYCJKVKNKKX-CNBHCMJISA-N 496.283 7.448 50 10 JKGE O=C(c1scc(Br)c1Br)N1CC[C@H](Br)C[C@@H]1C(F)(F)F 2361454393 ILZBGXPVFVQWPK-CAHLUQPWSA-N 499.972 5.204 50 10 JKGE BrC[C@@]1(Cc2ccc(Br)cc2Br)C[C@H]2C=C[C@H]1CCC2 2364073361 XVCZHQZHVLVFPJ-MRRJBJDNSA-N 463.051 6.512 50 10 JKGE COc1cc(Br)c([C@@H](Cl)c2ccc(Cl)cc2I)cc1C 2365594728 BHFCVCUMHUOGBF-HNNXBMFYSA-N 485.974 6.352 50 10 JKGE Brc1cc2c(cc1[C@H](Br)c1ccccc1OCc1ccccc1)CCCO2 2369639857 JBAMPBGURVOHIO-HSZRJFAPSA-N 488.219 6.837 50 10 JKGE N#C/C(=C/c1cccc(OCc2cccc3ccccc23)c1)C(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1 2774383 MPAGCHUGBHRZGC-BKUYFWCQSA-N 483.911 6.526 50 10 JKGE COC(=O)[C@]12CC[C@@H](C)[C@H](C)[C@H]1C1=CC[C@@H]3[C@@]4(C)C=C(C#N)C(=O)C(C)(C)[C@@H]4CC[C@@]3(C)[C@]1(C)CC2 13834910 YEHHYQFHXAWRHM-ZJFKBAMLSA-N 491.716 7.056 50 10 JKGE N#C/C(=C\c1ccc(-c2cccc(C(F)(F)F)c2)o1)C(=O)Nc1cccc(C(F)(F)F)c1 33567988 UFGJAISMADDNSR-GXDHUFHOSA-N 450.338 6.530 50 10 JKGE COCCCNC(=O)/C(C#N)=C\c1cn(-c2ccccc2)nc1-c1ccc(OCCC(C)C)cc1 34793930 CCXWBPOHPXFIAG-NKFKGCMQSA-N 472.589 5.024 50 10 JKGE N#CC1=C(N)Oc2cc(OC(=O)c3cccc([N+](=O)[O-])c3)ccc2[C@H]1c1ccc(Cl)c(Cl)c1 38656120 GEYUZBDPBLTJOL-OAQYLSRUSA-N 482.279 5.339 50 10 JKGE COc1c(Cl)cc(C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@H]3c2ccc(C)cc2)cc1Cl 38686980 JAVWNJKZHTZBQL-QFIPXVFZSA-N 481.335 5.748 50 10 JKGE Cc1ccc2c(C)c(C(=O)Oc3ccc4c(c3)OC(N)=C(C#N)[C@H]4c3cccc(F)c3)oc2c1 38700487 GFECCQTVQVKRLA-DEOSSOPVSA-N 454.457 5.626 50 10 JKGE COc1ccccc1C(=O)N/N=C1\CCCc2oc(C(=O)Nc3cc(Cl)ccc3C)c(C)c21 40813161 BXYUNYRURFAOAB-MTDXEUNCSA-N 465.937 5.281 50 10 JKGE CCOc1cc(/C=C(/C#N)c2nc3ccccc3[nH]2)ccc1Oc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] 50579665 QEMYSLTYMBDLPU-WJDWOHSUSA-N 471.429 5.634 50 10 JKGE Cc1ccc(/C(CSc2nc3ccccc3[nH]2)=N\NC(=O)c2cccc([N+](=O)[O-])c2)c(C)c1 59460598 BXVXIPVPYYLZQB-QYQHSDTDSA-N 459.531 5.014 50 10 JKGE COc1ccc(CCN2C(=O)C(C#N)=C(C)/C(=C\Nc3ccc(-c4ccccc4)cc3)C2=O)cc1 101233310 UFBONGQXPZSGEI-ZXVVBBHZSA-N 463.537 5.110 50 10 JKGE Fc1cc([C@H](Br)c2cc3c(cc2Br)OCCO3)ccc1Br 109865357 IORYKUWIMYYLCX-HNNXBMFYSA-N 480.953 5.606 50 10 JKGE BrCc1cc(Br)ccc1OCCOc1cccc(Br)c1 110376603 GMOJMGBKSGEDEJ-UHFFFAOYSA-N 464.979 5.564 50 10 JKGE CC1=C(/C=C/[C@](C)(CCC[C@@H](C)CCC[C@@H](C)CCCC(C)C)OO)C(=O)c2ccccc2C1=O 111485167 YUTUNMUCBDSKNC-XQACWEGISA-N 482.705 8.626 50 10 JKGE O=CC(=C1CCCCCCCCC1)C(C=C1CCCCCCCCC1)=C1CCCCCCCCC1 115795260 ZSXKFZKPWAMACU-UHFFFAOYSA-N 480.821 11.278 50 10 JKGE COc1ccc2cc([C@@H](Br)c3cc(Br)c(Br)s3)ccc2c1 128557797 ASNNUCRWVZNMDQ-OAHLLOKOSA-N 491.042 6.919 50 10 JKGE Cc1ccc([C@@H](Br)c2cc(Br)c(Br)s2)c2ccccc12 128568642 UHKDYWQYNLKJSI-OAHLLOKOSA-N 475.043 7.219 50 10 JKGE FC(F)(F)SCCC(CBr)(CBr)c1ccc(Br)cc1 131019891 RCDPEMOXFQSUSF-UHFFFAOYSA-N 485.001 6.120 50 10 JKGE FC(F)(F)C(c1ccc(CBr)cc1)(c1ccc(CBr)cc1)C(F)(F)F 147221992 IUKIMAXMUXWYTA-UHFFFAOYSA-N 490.079 6.887 50 10 JKGE Clc1cc(Br)ccc1[C@H](Br)c1csc2c(Br)cccc12 163505212 AYSPGCYXOBRVEL-AWEZNQCLSA-N 495.461 7.564 50 10 JKGE CCCCCCOc1ccc(/C=C(/C#N)c2nc(-c3ccc(Cl)cc3)cs2)cc1OC 169939697 GDVIFEUPSFZZIU-ZHZULCJRSA-N 453.007 7.495 50 10 JKGE CCOc1ccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)/C=C\c4ccc(C)cc4)ccc32)cc1OC 205649212 QFNCVYXUSKYSNO-MWZVXJTDSA-N 482.536 5.239 50 10 JKGE CCCCOc1ccc(/C=C(/C#N)C(=O)Nc2scc(-c3ccc(CC)cc3)c2C(=O)OC)cc1 207208602 DVFPUYWUCMMONA-JWGURIENSA-N 488.609 6.489 50 10 JKGE CCCCc1ccc(NC(=O)/C(C#N)=C\Nc2ccc(-c3nc4ccc(C)cc4s3)cc2)cc1 217170656 DEPUFBJGDUQZRR-PYCFMQQDSA-N 466.610 7.072 50 10 JKGE CC1(C)COc2ccc([C@H](Br)c3cc(Br)sc3Br)cc21 232810239 QJCYYQVOTPUKOY-ZDUSSCGKSA-N 481.047 6.427 50 10 JKGE Clc1ccc([C@H](Cl)c2cc(Br)sc2Br)cc1Br 236033346 SSFDBVSSKXAPAF-JTQLQIEISA-N 479.846 7.017 50 10 JKGE O=C(COc1ccccc1-c1ccccc1)NN=Cc1ccc(-c2cccc(Cl)c2Cl)o1 252605796 GLZUEOSTWNWSCO-UHFFFAOYSA-N 465.336 6.450 50 10 JKGE CCc1ccc(-n2c(C)cc(C=NNC(=O)Cc3ccc(C(F)(F)F)cc3[N+](=O)[O-])c2C)cc1 254790731 FWENPKUAGZAPFQ-UHFFFAOYSA-N 472.467 5.276 50 10 JKGE CC(=NNC(=O)Cn1c(C(F)(F)F)nc2ccccc21)c1ccc2c(c1)Nc1ccccc1S2 254894518 IBOVHLZNMUMLHE-UHFFFAOYSA-N 481.503 5.804 50 10 JKGE Fc1cccc(Br)c1[C@@H](Cl)c1cc(I)cc2c1OCC2 379940824 BTKYGWYPOPNKFA-AWEZNQCLSA-N 467.503 5.456 50 10 JKGE COc1c(Br)cc(Cl)cc1[C@@H](Br)c1cscc1Br 404723225 WFSKTYIGVZDZOI-LLVKDONJSA-N 475.427 6.419 50 10 JKGE C[C@H](Br)[C@@H]1CCCCN1C(=O)c1cc(Br)sc1Br 688851032 IREUPXUXSHLXJI-CBAPKCEASA-N 460.029 5.051 50 10 JKGE Brc1cc([C@H](Br)c2ccsc2Br)cc2c1OCCC2 705130861 IYIXFSAUYNCNTN-LBPRGKRZSA-N 467.020 6.082 50 10 JKGE COc1cc(F)c([C@H](Br)c2scc(Br)c2Br)cc1OC 705465103 QFINQQPIXWQDQA-NSHDSACASA-N 488.998 5.914 50 10 JKGE O=[N+]([O-])c1ccccc1C[C@H](Cl)c1ccc(I)c(Br)c1 721574471 YJIRZBOZSYNJKO-LBPRGKRZSA-N 466.500 5.485 50 10 JKGE Cc1sc([C@H](Br)c2ccc(F)cc2Br)c(C)c1Br 724926725 BPVRDUKFBVIRBJ-GFCCVEGCSA-N 457.000 6.513 50 10 JKGE Cc1sc([C@@H](Br)c2ccc(F)cc2Br)c(C)c1Br 724926726 BPVRDUKFBVIRBJ-LBPRGKRZSA-N 457.000 6.513 50 10 JKGE O=C(NN=Cc1ccc(Cl)cc1Cl)c1ccc(CN2CCC(Cc3ccccc3)CC2)cc1 725395739 BOQXPHXNEOLZKZ-UHFFFAOYSA-N 480.439 6.212 50 10 JKGE COc1cc(/C=C\C(=O)Cl)cc(I)c1OCc1ccc(Cl)cc1 1081475863 AUSFNKUPDUNYAZ-DAXSKMNVSA-N 463.098 5.311 50 10 JKGE Cc1ccc(C)c(-n2c(C)cc(C=NNC(=O)C(=O)Nc3ccc(OCc4ccccc4)cc3)c2C)c1 1083972578 BXLDPXSNVXIRLQ-UHFFFAOYSA-N 494.595 5.379 50 10 JKGE O=C(NN=Cc1ccc(OC2CSC2)cc1)c1ccc(CSc2ccc(Cl)cc2)cc1 1084437597 BXLOYTSRAFYJBJ-UHFFFAOYSA-N 469.031 5.890 50 10 JKGE Cc1c(C(=O)Nc2cc(Cl)c(Cl)cc2Cl)oc2c1C(=NNC(N)=O)CC(C)(C)C2 1772729194 AVMPPZOHJDREMA-UHFFFAOYSA-N 457.745 5.145 50 10 JKGE N#CSc1ccc(NC(=O)Nc2ncccc2OCCC(=O)c2ccc(Br)cc2)cc1 1858864552 RFIPHNODDDYKRB-UHFFFAOYSA-N 497.374 5.713 50 10 JKGE CCCc1nn(Cc2cccc(Cl)c2)c2c1[C@H](c1ccc(Cl)cc1Cl)C(C#N)=C(N)O2 1865684871 AEFAJNPOWAIWLZ-HXUWFJFHSA-N 473.791 6.062 50 10 JKGE CCCCOc1ccc([C@@H]2C(C#N)=C(N)Oc3c2c(C(F)(F)F)nn3-c2ccc(C)cc2)cc1OC 1865697469 TZWAJXHIEVDOQR-OAQYLSRUSA-N 498.505 5.605 50 10 JKGE CCN(CC)c1ccc([C@@H]2C(C#N)=C(N)Oc3c2c(-c2ccccc2)nn3Cc2ccc(F)cc2)cc1 1865702352 UAEZDBYEAHQLHN-AREMUKBSSA-N 493.586 5.802 50 10 JKGE Cc1ccccc1COc1ccc([C@H]2C(C#N)=C(N)Oc3c2c(C)nn3Cc2ccc(Cl)cc2)cc1 1865702991 KEPUAKDBKLKWTC-MHZLTWQESA-N 496.998 5.999 50 10 JKGE CCc1nn(-c2ccccc2)c2c1[C@@H](c1ccccc1OCc1ccc(Cl)cc1)C(C#N)=C(N)O2 1865704197 PUMIIZABQOBNHA-VWLOTQADSA-N 482.971 5.885 50 10 JKGE CSCC[C@@H](NC(=O)C[C@@H](C)c1cccc(Cl)c1)C(=O)Nc1ccc(SC#N)cc1 1867185276 SNTZXCMISKMXIJ-FOIQADDNSA-N 462.040 5.283 50 10 JKGE CCOc1ccc(-c2nc(Nc3ccc(SC#N)cc3)cc(N3C[C@@H](C)OCC3(C)C)n2)cc1 1868528671 YJVXFLXVEMDSTK-GOSISDBHSA-N 475.618 5.863 50 10 JKGE N#C/C(=C\c1ccc(OCc2ccc(Br)cc2)cc1)c1nc(O)c2ccccc2n1 1872726918 UNJZKHRBUPRJJQ-QGOAFFKASA-N 458.315 5.741 50 10 JKGE CCCCc1ccc(-c2csc(/C(C#N)=C(\O)c3c(Cl)ccc(Cl)c3Cl)n2)cc1 1872744618 AFXUENHAKZYLJN-QNGOZBTKSA-N 463.817 8.063 50 10 JKGE COc1ccc(-c2csc(/C(C#N)=C(\O)c3ccccc3I)n2)cc1OC 1872745489 PBPBREDFGKQNRW-RGEXLXHISA-N 490.322 5.382 50 10 JKGE CCCCCCCOc1ccc(-c2csc(/C(C#N)=C(\O)c3ccc(Cl)cc3)n2)cc1 1872752982 CBVZPUMQBZWMHG-GYHWCHFESA-N 453.007 7.763 50 10 JKGE C[C@@H](c1ccccc1)N1C[C@H](/C(O)=C(\C#N)c2nc(-c3ccc(Cl)s3)cs2)CC1=O 1872758419 YZUWEPRSCJZNLF-KEMFXACRSA-N 455.992 5.927 50 10 JKGE CCOc1cc(/C=C(\C#N)c2nc(-c3ccc([N+](=O)[O-])cc3)cs2)cc(Br)c1O 1872784528 RPHMXIGNASQSTP-VGOFMYFVSA-N 472.320 5.649 50 10 JKGE N#C/C(=C\c1c(OCc2ccccc2)ccc2ccccc12)c1nc(-c2c[nH]c3ccccc23)cs1 1872792003 ZCSUPQNIWINWFE-XQNSMLJCSA-N 483.596 8.088 50 10 JKGE CCOc1cc(/C=N/NC(=O)CCCCCNC(=O)OC(C)(C)C)ccc1OCc1ccc(C)cc1 1873792801 MUWNPSXOJXOKQD-NDZAJKAJSA-N 497.636 5.508 50 10 JKGE O=C(c1cc(Br)ccc1O)N(Cc1ccccc1)C1(CBr)CCC1 1915757302 YBUQDXCAEZTJOT-UHFFFAOYSA-N 453.174 5.115 50 10 JKGE CC1(CC[C@@H](Br)c2c(Br)sc(Br)c2Cl)CC1 1923066700 TXZZXNZGHJHJJU-ZCFIWIBFSA-N 451.449 6.943 50 10 JKGE Clc1c(Br)sc(Br)c1[C@H](Br)C1CC2(CCCCC2)C1 1923074813 RXQYSGIQJYHXMU-SNVBAGLBSA-N 491.514 7.723 50 10 JKGE Brc1ccc(Br)c([C@H](Br)Cc2ccncc2Br)c1 1924052865 PHVVRHNYKJPPOQ-GFCCVEGCSA-N 498.838 6.048 50 10 JKGE Clc1nc(Cl)n(-c2cc(Br)cc(Br)c2)c1CBr 2006655160 IWVKYJCDSZYNQF-UHFFFAOYSA-N 463.782 5.599 50 10 JKGE CN(c1cc(Br)ccc1CBr)[C@@H]1CC(C)(C)[C@H]1OCc1ccccc1 2038795199 RPLFAISSFLEAHA-UXHICEINSA-N 467.245 6.164 50 10 JKGE CC[C@@H]1CN(C(=O)OCc2ccccc2)[C@H](CC)CN1C[C@@H](CBr)C(C)(C)C 2044627448 SOXREKSGOUSGFA-NJDAHSKKSA-N 453.465 5.555 50 10 JKGE CC(C)(C)OC(=O)N1CCC(CI)(OC[C@H]2C[C@@H]2C2CCCC2)CC1 2079996325 SHMYQDLJICYTON-IAGOWNOFSA-N 463.400 5.034 50 10 JKGE Cc1sc(Br)c([C@H](Br)c2cc(F)ccc2Br)c1C 2082886223 VHVLFACTOUIILK-GFCCVEGCSA-N 457.000 6.513 50 10 JKGE BrCc1ccc(Br)cc1N1CC[C@H]2CCN(Cc3ccccc3)C[C@@H]2C1 2092524913 UXLXBPXGYZCFJD-UYAOXDASSA-N 478.272 5.692 50 10 JKGE O=C(N[C@H]1CCCC[C@H]1CCBr)c1csc(Br)c1Br 2093942570 VJNSWBKAXIWGOO-WPRPVWTQSA-N 474.056 5.347 50 10 JKGE COc1cc(C)c(Br)cc1[C@@H](Br)c1scc(C)c1Br 2100814599 KISDCPRGOGGQGF-CYBMUJFWSA-N 469.036 6.383 50 10 JKGE CC12CC([C@@H](Br)c3cc(Br)c(Br)s3)(C1)C1(CCC1)O2 2101241143 UDDONWLDEJNFMK-PKSQDBQZSA-N 471.052 6.201 50 10 JKGE C[C@H](Cl)c1nc2cc(Cl)c(Br)cc2n1[C@H]1CCN(Cc2ccccc2)C1 2112690465 FRHMZDLSOGDFDL-ZFWWWQNUSA-N 453.211 6.199 50 10 JKGE Brc1cc([C@@H](Br)c2ccc(Br)c3ccccc23)ns1 2120038587 JHTNFNNKEUVACY-AWEZNQCLSA-N 462.004 6.306 50 10 JKGE CC1(C)CCC[C@H]([C@@H](Br)c2ccc(Br)cc2Br)CC1 2138864722 PECAARGGRAIHND-XHDPSFHLSA-N 453.056 7.254 50 10 JKGE C[C@@H](Cl)c1nc2cncc(Br)c2n1-c1ccccc1I 2151778973 DCCMBTNTZPXIDA-MRVPVSSYSA-N 462.516 5.087 50 10 JKGE Cc1sc(Br)c([C@@H](Cl)c2scc(C(F)(F)F)c2Br)c1C 2157251355 KPLZZZNXVCMJBY-SECBINFHSA-N 468.585 7.298 50 10 JKGE CCOc1ccc(Br)cc1[C@@H](Br)c1nn(CC)cc1Br 2181171540 AJNZHMOOJJPXER-CYBMUJFWSA-N 466.999 5.311 50 10 JKGE FC(F)(F)c1cc(Cl)cc([C@H](Cl)c2cc(Br)sc2Br)c1 2200838416 QNKNXJKEXWCXHU-JTQLQIEISA-N 468.947 7.274 50 10 JKGE CCCN[C@@H](c1c(C)c(Br)cc(C)c1Br)[C@H]1C[C@H](Br)C1 2201058557 CRSAUGYBVMVJMF-XHBSWPGZSA-N 468.071 6.043 50 10 JKGE Cc1cc(Br)c(C)c([C@H](Br)[C@@H]2[C@@H]3CCC(F)(F)[C@H]32)c1Br 2201076606 GAOYAQJFDWHGHP-MBGOOHRESA-N 472.993 6.556 50 10 JKGE Brc1ccc(Br)c([C@H](Br)c2ccc(-c3cccs3)s2)c1 2205859925 MIVKIGXPGJQFEY-HNNXBMFYSA-N 493.083 7.486 50 10 JKGE BrCC1(N(Cc2ccccc2)Cc2c(Br)sc3ccccc23)CCC1 2217924885 YUJOXAAILGSSSY-UHFFFAOYSA-N 479.281 6.984 50 10 JKGE ClCc1cc(Br)cc(Br)c1OCc1nscc1Br 2219913060 LJZBOFAKNBEVQW-UHFFFAOYSA-N 476.415 5.748 50 10 JKGE C[C@]1(C(F)F)C[C@H]1[C@@H](Br)c1c(Br)cc(Cl)c(Cl)c1Cl 2224307331 MJWDTIMRRLJQBF-HNMAKPFWSA-N 457.367 7.137 50 10 JKGE Clc1ccc(Br)c([C@@H](Cl)c2c(Br)cc(Cl)c(Cl)c2Cl)c1 2232509966 FUTZYTIWITVTCC-LLVKDONJSA-N 498.256 8.153 50 10 JKGE Cc1ccc([C@H](Br)c2c(Br)cc(Cl)c(Cl)c2Cl)cc1F 2232510136 GEXPABJEPAHTMX-LBPRGKRZSA-N 461.383 7.341 50 10 JKGE C[C@@H](c1ccccc1)[C@H](Br)c1c(Br)cc(Cl)c(Cl)c1Cl 2232513674 RQBOIRWDHXUQCW-SDBXPKJASA-N 457.420 7.649 50 10 JKGE C[C@H](Cl)c1nc2c(Br)cc(F)cc2n1C[C@H]1CC1(Br)Br 2233037136 AHBCPHYXQOGNEV-NKWVEPMBSA-N 489.408 5.744 50 10 JKGE Fc1cc(Br)c(Br)cc1[C@H](Br)[C@H]1CC[C@]2(C1)CC2(F)F 2233976995 RXDDSZDPIIZLLF-YLJLNXRRSA-N 476.956 6.612 50 10 JKGE Cc1cc(Br)c([C@H](Br)[C@@H]2C[C@@H]3C[C@H]3C[C@@H]2C)c(C)c1Br 2235615320 QFBINHOKLZFQTR-MOEUKSPASA-N 465.067 6.947 50 10 JKGE Fc1cc(Cl)c([C@@H](Cl)c2sc(Br)cc2Br)cc1Br 2258114828 RXOLPGLXTAVKRQ-SNVBAGLBSA-N 497.836 7.156 50 10 JKGE Brc1cc(Br)cc(C[C@H](Br)[C@@H]2C[C@@H]3CCC[C@@H]3C2)c1 2277954567 YAOVUNUOAFQRNE-VLXAULBPSA-N 451.040 6.344 50 10 JKGE CC(C)(C)C1CC([C@@H](Br)c2c(F)cc(Br)c(F)c2Br)C1 2288357311 SHCWHAYJTLMKMJ-WZQIAMPNSA-N 475.009 6.998 50 10 JKGE Fc1cc(Br)c(F)c(Br)c1[C@H](Br)[C@@]12CCCC[C@H]1CC2 2288997694 KUFSXBNTJLBKEV-UFTIBIJLSA-N 472.993 6.896 50 10 JKGE CCOC(=O)c1ccc(-c2ccc(C=C(C#N)C(=O)Nc3cccc(C(F)(F)F)c3)o2)cc1 2293017448 KLYVJTABECPVLG-UHFFFAOYSA-N 454.404 5.688 50 10 JKGE CCn1c2ccccc2c2cc(NC=C(C#N)c3nc(-c4ccc(Cl)c(Cl)c4)cs3)ccc21 2295937313 TVINVXHSZHQQNU-UHFFFAOYSA-N 489.431 8.221 50 10 JKGE Cc1cc(C)c(NC(SCc2ccccc2Cl)=C(C#N)S(=O)(=O)c2ccccc2)c(C)c1 2297350156 CIMHORQKHKMYBY-UHFFFAOYSA-N 483.058 6.777 50 10 JKGE CCCOc1ccccc1NC(=O)C(C#N)=Cc1cn(CCC#N)nc1-c1ccc(Cl)cc1 2297430436 MBGHXIKZFSFZEO-UHFFFAOYSA-N 459.937 5.452 50 10 JKGE CCOc1cccc(NC(=O)C(C#N)=Cc2cn(CC(=O)Nc3ccc(F)cc3)c3ccccc23)c1 2297455802 OTHCGQIGVCNECU-UHFFFAOYSA-N 482.515 5.363 50 10 JKGE Cc1cc(C)cc(OCCOc2ccc(C=C(C#N)C(=O)Nc3nc4ccccc4s3)cc2)c1 2297500002 DGWKNKNEIKAIQP-UHFFFAOYSA-N 469.566 5.917 50 10 JKGE N#CC(=Cc1c(OCc2cccc3ccccc23)ccc2ccccc12)C(=O)Nc1cccc(Cl)c1 2297533964 OBEURNKPJDTTJL-UHFFFAOYSA-N 488.974 7.771 50 10 JKGE FC1(F)CC[C@@H]1C[C@@H](Br)c1c(Br)sc(Br)c1Cl 2299036102 VAIYAYAEFGQQSQ-RFZPGFLSSA-N 473.402 6.798 50 10 JKGE Clc1cccc([C@@H](Br)c2cc(Br)ccc2OCc2ccccc2)c1 2299495612 RFCYVCGATYJJGQ-HXUWFJFHSA-N 466.600 7.166 50 10 JKGE Brc1cc(OCc2ccccc2)ccc1[C@H](Br)[C@@H]1CCC[C@@H]2C[C@H]21 2299504250 LVDUIPLBSBVHBC-STQYRHOTSA-N 450.214 6.900 50 10 JKGE Clc1cc([C@H](Cl)c2ccc(OCc3ccccc3)cc2Br)c(Cl)s1 2299521598 GYWXZANFZJGSHP-QGZVFWFLSA-N 462.623 7.725 50 10 JKGE Brc1cc(OCc2ccccc2)ccc1[C@H](Br)[C@H]1[C@H]2CCCC[C@H]21 2299530918 QOPFTGKMUCIZTE-JWWGGVBKSA-N 450.214 6.900 50 10 JKGE Fc1ccc([C@@H](Br)c2sc(Cl)cc2I)cc1Cl 2301083997 NWORVTCJPZFKEB-SNVBAGLBSA-N 465.940 6.283 50 10 JKGE Cc1cc([C@H](Cl)c2ccc(Cl)cc2I)sc1Br 2301796230 JJBXABIIBTVUGY-LLVKDONJSA-N 461.977 6.405 50 10 JKGE Cc1sc(Br)c(C(=O)N[C@@H](CCBr)COCc2ccccc2)c1C 2303543086 LZJSXHFKLBDCDP-HNNXBMFYSA-N 475.246 5.228 50 10 JKGE N#CC(=Cc1ccc(OCc2ccc(Cl)cc2Cl)cc1)C(=O)Nc1ccc(Cl)c(Cl)c1 2313630853 GJDAMABQWPZARK-UHFFFAOYSA-N 492.189 7.425 50 10 JKGE Fc1cc(Cl)c(Br)c(Cl)c1[C@@H](Br)c1ccsc1Cl 2313748832 MHEIPEYHUNQUQA-QMMMGPOBSA-N 453.385 7.094 50 10 JKGE CCOc1ccc(NC(=O)C(C#N)=Cc2cn(-c3ccccc3)nc2C23CC4CC(CC(C4)C2)C3)cc1 2314476433 ONARZJVFSJDMMA-UHFFFAOYSA-N 492.623 6.284 50 10 JKGE N#CC(=Cc1cc([N+](=O)[O-])ccc1OCC(=O)Nc1ccccc1)c1nc(-c2ccccc2)cs1 2314490271 WJTMFUOFHVTNEG-UHFFFAOYSA-N 482.521 5.800 50 10 JKGE CCCCOc1ccc(C=C(C#N)C(=O)Nc2scc(-c3ccc(C)cc3)c2C(=O)OCC)cc1 2314737804 VNGNTGQUSPSDSF-UHFFFAOYSA-N 488.609 6.625 50 10 JKGE COc1cc(C=C(C#N)C(=O)NCc2ccco2)ccc1OC(=O)c1ccc(-c2ccccc2)cc1 2314741206 VXWBOEJQIHHUON-UHFFFAOYSA-N 478.504 5.398 50 10 JKGE CC(C)(C)OC1CC([C@H](Br)c2sc(Cl)cc2I)C1 2316778291 VMTFXVUHTJHOIN-AYVLWNQUSA-N 463.606 6.036 50 10 JKGE COc1cc(C=C(C#N)c2ccc(C(=O)OC(C)C)o2)ccc1OC(=O)c1cccc([N+](=O)[O-])c1 2331049799 XDVOHSXPJVDSQG-UHFFFAOYSA-N 476.441 5.045 50 10 JKGE COc1ccc(C=C(C#N)c2ccc(Cl)cc2F)cc1OCc1ccc(Cl)c(Cl)c1 2331063912 PMNYXVNHOHBLJN-UHFFFAOYSA-N 462.735 7.438 50 10 JKGE CC[C@H](C)[C@@H](C(O)=C(C#N)c1nc(-c2ccc(Cl)cc2)cs1)N1C(=O)c2ccccc2C1=O 2331300627 XYUSBCAUZLEKQR-QKKBWIMNSA-N 477.973 5.967 50 10 JKGE CC[C@H](C)[C@H](C(O)=C(C#N)c1nc(-c2cc(C)ccc2OC)cs1)N1C(=O)c2ccccc2C1=O 2331324373 QOMFFHUYPHXZEX-QMHKHESXSA-N 487.581 5.631 50 10 JKGE Cc1cc(C)c(C)c(-c2csc(C(C#N)=C(O)[C@H]3CC(=O)N([C@@H](C)c4ccccc4)C3)n2)c1C 2331364552 KNIWOTOJHQHMSN-UNMCSNQZSA-N 471.626 6.446 50 10 JKGE CCCCOc1ccc(C(O)=C(C#N)c2nc(-c3cc(Cl)ccc3Cl)cs2)cc1OCC 2331404627 VKCWSTBVFPSCCO-UHFFFAOYSA-N 489.424 7.644 50 10 JKGE N#CC(=Cc1c(OCc2ccccc2)ccc2ccccc12)c1nc(-c2cccs2)cs1 2331450944 VHWHMFYMVAOCJP-UHFFFAOYSA-N 450.588 7.668 50 10 JKGE FC(F)(F)C([C@@H](Cl)c1cc(Br)ccc1OCc1ccccc1)C(F)(F)F 2336085081 ZEVHTZMESVTVNQ-AWEZNQCLSA-N 461.627 7.049 50 10 JKGE C[C@H]1Cc2cc([C@H](Br)c3cnsc3Br)cc(Br)c2O1 2337306070 OPGUWHVOPSDKEZ-KGFZYKRKSA-N 468.008 5.476 50 10 JKGE Cc1cc(Br)c(F)c(Br)c1[C@@H](Br)[C@@H]1C[C@H]2CC[C@H]1C2 2339645219 GFLLXHUZQKBZNP-XHSYRHOGSA-N 455.003 6.531 50 10 JKGE Cc1cc(Br)c(F)c(Br)c1[C@H](Cl)c1cc(Cl)sc1Cl 2339650010 AUOFJEOCYSJAOL-SNVBAGLBSA-N 467.412 7.356 50 10 JKGE Cc1csc([C@H](Br)c2c(C)cc(Br)c(F)c2Br)c1Cl 2339675402 QTGWZNQKQAGBDC-SNVBAGLBSA-N 491.445 7.167 50 10 JKGE CC(C)(C)[C@H]1[C@@H](Br)CCN1Cc1ccc(Cl)cc1I 2341008966 GBHXDUXCBHWVMW-GXTWGEPZSA-N 456.593 5.329 50 10 JKGE Cc1cc(Br)c([C@@H](Br)[C@H]2OC[C@@H]3CCCC[C@H]23)cc1Br 2358478175 RZVAPGRTJDLXGO-QMMBQJITSA-N 467.039 6.161 50 10 JKGE C[C@]1([C@H](Br)c2c(F)cc(Cl)c(Br)c2Cl)C[C@H]1C(F)(F)F 2360418270 PINOYQGJGIUIFW-PFZYVWIYSA-N 458.902 6.920 50 10 JKGE Brc1cc(OCc2ccccc2)ccc1[C@H](Br)c1cccc2c1CCCC2 2361210053 VHSJQBDMRJGWCU-XMMPIXPASA-N 486.247 7.391 50 10 JKGE COCc1cc(Br)cc(C[C@H](Br)c2ccccc2Br)c1 2362285712 XEDNNXINOLQDGW-INIZCTEOSA-N 463.007 6.037 50 10 JKGE CCCOc1ccc([C@@H](Br)c2c(Br)ncn2C)cc1Br 2362433402 MOSBDTBYCMPTQE-GFCCVEGCSA-N 466.999 5.218 50 10 JKGE COc1c(Br)cc(C)c([C@H](Br)[C@H]2CCC3(CC3)C2)c1Br 2365190011 AHKYNNGEXNUGFD-GXFFZTMASA-N 467.039 6.545 50 10 JKGE COc1c(Br)cc(C)c([C@H](Br)[C@@]2(C)CCCOC2)c1Br 2365193458 IHBVZELHNMHNDG-GJZGRUSLSA-N 471.027 5.781 50 10 JKGE Cc1cc(Br)c(F)c(Br)c1[C@H](Br)c1c(C)oc(C)c1C 2365215792 NLTRKSNJIHSAJJ-ZDUSSCGKSA-N 468.986 6.662 50 10 JKGE Cc1cc(CBr)ccc1N(C)Cc1c(Br)cccc1Br 2366160301 HQSUKXMUWOANSK-UHFFFAOYSA-N 462.023 6.051 50 10 JKGE Clc1cc(Cl)cc(CC[C@@H](Br)c2cc(Cl)ccc2Br)c1 2366887827 GRKGCLXWVCGHNV-CQSZACIVSA-N 457.420 7.478 50 10 JKGE ClC[C@H]1CN(Cc2ccc(I)c(Br)c2)CCC12CCC2 2377328667 FGKPLSNEHVHBRZ-ZDUSSCGKSA-N 468.604 5.285 50 10 JKGE CCCCCCCCc1ccc(-c2ccc(/C(C)=N/NC(=O)c3ccc4[nH]c(C)c(C)c4c3)cc2)cc1 33355893 IXKDBGPRAUNWBQ-KVQDIILNSA-N 493.695 8.509 50 10 JKGE CCOc1ccc(OCc2ccc(C(=O)N/N=C(/C)c3ccc(C4CCCCC4)cc3)cc2)cc1 34882308 YLIBZKLHVBAHSJ-VAMRJTSQSA-N 470.613 6.866 50 10 JKGE N#C/C(=C/c1cn(-c2ccccc2)nc1-c1ccccc1)C(=O)Nc1sc2c(c1C#N)CCCC2 35519360 JPIWJJPXDCLRCC-HKWRFOASSA-N 475.577 5.897 50 10 JKGE C[C@H](Oc1ccc(F)cc1)C(=O)Oc1ccc2c(c1)OC(N)=C(C#N)[C@@H]2c1ccc(Cl)cc1 38651371 XRRQBKMQPYLFBQ-LFVRLGFBSA-N 464.880 5.070 50 10 JKGE N#CC1=C(N)Oc2cc(OC(=O)c3ccc(F)cc3)ccc2[C@H]1c1ccccc1Br 38678513 ASNVHRSQGUFPJR-OAQYLSRUSA-N 465.278 5.026 50 10 JKGE COC(=O)c1c(NC(=O)/C(C#N)=C/c2ccc(-c3ccccc3[N+](=O)[O-])o2)sc2c1CCCC2 39884920 DESYHAGFTRJWEA-WYMLVPIESA-N 477.498 5.127 50 10 JKGE Nc1c(NNC(=O)c2ccc(Cl)cc2Cl)ncnc1Nc1cc(Cl)ccc1Cl 40778258 AVVKNQLJTQWIIK-UHFFFAOYSA-N 458.136 5.173 50 10 JKGE Cc1cc(OC(=O)c2oc3c(c2C)/C(=N/NC(=O)c2ccc([N+](=O)[O-])cc2)CCC3)ccc1Cl 40812266 VCJOCSCRFGQAPR-LGUFXXKBSA-N 481.892 5.148 50 10 JKGE CCc1ccc(OC(=O)c2oc3c(c2C)/C(=N/NC(=O)c2ccc(-c4ccccc4)cc2)CCC3)cc1 40822837 PBHSDUAPKJJIMA-HMZBKAONSA-N 492.575 6.507 50 10 JKGE CCC(C)(C)c1ccc(OCCCC(=O)Oc2ccc(/C=C(\C#N)C(=O)NC(C)C)cc2OC)cc1 54624846 GQYIBGZCEXMTDV-OQKWZONESA-N 492.616 5.579 50 10 JKGE CCOc1cc(/C=C(/C#N)c2nn(-c3ccccc3)c(N)c2C#N)ccc1OCc1ccc(F)cc1 96602795 PAOJEBHNYPGPFH-STZFKDTASA-N 479.515 5.507 50 10 JKGE CCCCCCCOc1ccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4ccc(C)cc4)ccc32)cc1 101377601 LSQNKNZJVHOKPG-LJAQVGFWSA-N 496.607 6.782 50 10 JKGE Cc1cccc(OCCCOc2ccc(/C=C(/C#N)C(=O)Nc3nc4ccccc4s3)cc2)c1 102443829 AUIPOTPXKFLICU-FXBPSFAMSA-N 469.566 5.998 50 10 JKGE COc1cc(/C=C(/C#N)C(=O)Nc2nc3ccccc3s2)ccc1OCc1ccccc1[N+](=O)[O-] 102443950 UNIQWTQFNWQUOZ-PDGQHHTCSA-N 486.509 5.338 50 10 JKGE Clc1ccccc1C[C@@H](Br)c1cc(Br)sc1Br 109869910 CIEVKRRRSKQYPL-SECBINFHSA-N 459.428 6.605 50 10 JKGE Fc1cccc(C(CBr)(CBr)Cc2ccccc2Br)c1 118877816 UCDGJJSMUQWHAL-UHFFFAOYSA-N 464.998 5.859 50 10 JKGE Cc1cc(C)c([C@H](Br)c2cc(Br)c(Br)s2)c(C)c1 128233105 GFBWTTROHOKOHE-CYBMUJFWSA-N 453.037 6.683 50 10 JKGE CC[C@@H](c1ccccc1)[C@H](Br)c1cc(Br)c(C)cc1Br 128763457 LEOTZGQAVMNQRZ-GUYCJALGSA-N 461.035 7.150 50 10 JKGE CC[C@H](c1ccccc1)[C@H](Br)c1cc(Br)c(C)cc1Br 128763708 LEOTZGQAVMNQRZ-DYVFJYSZSA-N 461.035 7.150 50 10 JKGE COc1cc(Br)c([C@@H](Br)c2ccc(C)c(Br)c2)cc1OC 130453897 XANIUFZDVFOOLP-INIZCTEOSA-N 479.006 6.022 50 10 JKGE COc1cc([C@H](Cl)c2cccc(I)c2)c(OC)cc1Br 134292399 FOMUIHRSTOIUCW-OAHLLOKOSA-N 467.528 5.399 50 10 JKGE Clc1cc(Br)ccc1[C@H](Cl)c1csc2c(Br)cccc12 163478494 YIDLPINWLHMYJE-AWEZNQCLSA-N 451.010 7.408 50 10 JKGE CCOc1cc(/C=N/NC(=O)Cc2cc(OC)ccc2Cl)cc(Cl)c1OCC(C)C 169922051 KOGVVQKCTIOJOK-BRJLIKDPSA-N 453.366 5.128 50 10 JKGE COc1cc(/C=C(/C#N)c2ccccc2)ccc1OC(=O)COc1ccc(C)cc1Br 197545113 YOZXTLRZXVMCOU-MOSHPQCFSA-N 478.342 5.815 50 10 JKGE N#C/C(=C/Nc1ccc(Nc2ccccc2)cc1)C(=O)Nc1ccccc1Sc1ccccc1 217243694 MPUFZXOGWIJELZ-MRCUWXFGSA-N 462.578 7.039 50 10 JKGE COc1ccc([C@@H](Br)c2cccc(Cl)c2Cl)c(OC)c1Br 224862881 AJULLOQCGHAELJ-LBPRGKRZSA-N 454.973 6.257 50 10 JKGE Cc1cc([C@H](Br)c2cc(Br)c(Br)s2)sc1Cl 226693655 VFDLGRSKYZUPSK-QMMMGPOBSA-N 465.457 6.781 50 10 JKGE BrCc1cc(Br)c(OCCCc2ccccc2)c(Br)c1 232484588 CILUTMMYYNLZOJ-UHFFFAOYSA-N 463.007 6.118 50 10 JKGE COc1cc(F)c(Br)cc1[C@@H](Br)c1ccccc1Br 234867579 HKNRBJAAHSJSON-AWEZNQCLSA-N 452.943 5.844 50 10 JKGE COc1ccc([C@@H](Cl)c2ccc(F)cc2I)c(Br)c1 234985889 MCWYCEQOKFLXBO-CQSZACIVSA-N 455.492 5.530 50 10 JKGE Cc1cc([C@H](Br)c2cc(Cl)ccc2I)sc1Cl 235859248 PPCLAKJKYPAQOA-LLVKDONJSA-N 461.977 6.452 50 10 JKGE Clc1ccc(Br)c([C@H](Cl)c2cc(Br)sc2Br)c1 236031705 IBEOWFWEMKXJKP-JTQLQIEISA-N 479.846 7.017 50 10 JKGE Cc1cc(Br)c([C@H](Cl)c2ccc(OCc3ccccc3)cc2)cc1Br 311129101 IVYLKDZWPUECOQ-OAQYLSRUSA-N 480.627 7.427 50 10 JKGE FC1(F)CCC[C@H](COc2c(Br)cc(CBr)cc2Br)C1 312129711 NSISRRDUOHDTQY-VIFPVBQESA-N 476.981 6.311 50 10 JKGE O=C(OCc1ccccc1)N1C[C@@H](CCl)[C@H](c2cc(I)ccc2F)C1 382709473 GKZVXJWPARRVKA-RHSMWYFYSA-N 473.713 5.021 50 10 JKGE Fc1cc(F)c(F)c([C@H](Br)c2cc(Br)c(Br)s2)c1F 395951945 GGBQUSCMDRFELP-MRVPVSSYSA-N 482.916 6.314 50 10 JKGE BrCc1cc(Br)cc(Br)c1OCCC[C@@H]1CCOC1 400519517 CGZXZGHRJFBVQP-SNVBAGLBSA-N 457.000 5.302 50 10 JKGE CC(C)(C)OC(=O)Nc1cccc([C@@H]2COCCCN2CCO[Si](C)(C)C(C)(C)C)c1 616598349 WXFDHVWTVYCUJN-NRFANRHFSA-N 450.696 5.819 50 10 JKGE BrCc1cc(Br)cc(Br)c1OCC[C@@H]1CCCCO1 699667989 BMFMCSIRHRVBOC-LBPRGKRZSA-N 457.000 5.445 50 10 JKGE Fc1cccc([C@H](Br)c2ccc(Cl)c(Cl)c2)c1I 721676449 BKSQPAYGQGEIGB-GFCCVEGCSA-N 459.911 6.221 50 10 JKGE O=C(NN=Cc1ccc(Cl)cc1Cl)c1ccc(CN2CCN(Cc3ccccc3)CC2)cc1 1084046333 XBTZQLHHQPRJBG-UHFFFAOYSA-N 481.427 5.075 50 10 JKGE O=C(Cc1ccccc1)Nc1ccc(C(=O)NN=Cc2c3ccccc3cc3ccccc23)cc1 1084227999 YEBAAEMWPYPOFA-UHFFFAOYSA-N 457.533 5.938 50 10 JKGE CCOc1cc(C=NNC(=O)CC[C@@H](O)c2ccccc2)cc(Cl)c1OCc1cccc(C)c1 1084317187 RFNPJNXWKYAYFI-XMMPIXPASA-N 480.992 5.590 50 10 JKGE Cc1cc(C=NNC(=O)COc2ccc(Cl)cc2Cl)c(C)n1-c1ccc(Cl)c(Cl)c1 1084384429 OCUQJIZJODNCNK-UHFFFAOYSA-N 485.198 6.237 50 10 JKGE O=C(Oc1ccccc1C=NNC(=O)c1cccc2ccccc12)c1sc2ccccc2c1Cl 1084558632 XPVYEFKQCZYVQD-UHFFFAOYSA-N 484.964 6.691 50 10 JKGE Brc1ccc([C@@H](SS[C@H](c2ccc(Br)cc2)C2CC2)C2CC2)cc1 1614015181 BVGANFKAKICGPD-PMACEKPBSA-N 484.322 8.195 50 10 JKGE Cc1ccc(C(=O)NN=C2CCCc3oc(C(=O)Nc4ccc(C)cc4Br)c(C)c32)cc1 1772744952 OUMBQQPRPKJBII-UHFFFAOYSA-N 494.389 5.690 50 10 JKGE COc1ccc2c(=O)c(-c3ccccc3OC)c(C(=O)Nc3ccc(SC#N)cc3)oc2c1 1859765549 DZLUBELRBSVSKC-UHFFFAOYSA-N 458.495 5.303 50 10 JKGE N#CC1=C(N)Oc2c(c(C(F)(F)F)nn2Cc2ccccc2Cl)[C@@H]1c1cccc2ccccc12 1865682283 LCTMVIPEWDQGLU-HXUWFJFHSA-N 480.877 5.975 50 10 JKGE COc1ccc(-c2nn(Cc3ccc(C)cc3)c3c2[C@@H](c2ccc(N(C)C)cc2)C(C#N)=C(N)O3)cc1 1865682951 BNMIAIRPXJPKDL-SANMLTNESA-N 491.595 5.200 50 10 JKGE COc1ccc(-c2nn(Cc3ccc(C)cc3)c3c2[C@@H](c2ccc(C(C)C)cc2)C(C#N)=C(N)O3)cc1 1865684870 AWEGCCXUHIDMTG-MHZLTWQESA-N 490.607 6.257 50 10 JKGE CCCOc1ccc([C@@H]2C(C#N)=C(N)Oc3c2c(CCC)nn3-c2ccccc2)cc1OCC 1865688527 UIZQVRUKOKZDHC-XMMPIXPASA-N 458.562 5.230 50 10 JKGE N#CSc1ccc(NC(=O)[C@H](Cc2ccc(F)cc2)NC(=O)C[C@H](c2ccccc2)C2CC2)cc1 1866712020 KPNSRESLXYJSRO-FTJBHMTQSA-N 487.600 5.649 50 10 JKGE COc1ccc(/C=C2\Oc3cc(OCc4ccc(CCl)cc4)cc(C)c3C2=O)cc1OC 1871436672 KEJMRSLTPVYRLT-MSXFZWOLSA-N 450.918 5.946 50 10 JKGE CSCC[C@@H](/C(O)=C(\C#N)c1nc(-c2cc(C)ccc2C)cs1)N1C(=O)c2ccccc2C1=O 1872749793 INEQAUZMLZZKNE-MBDQKHHZSA-N 489.622 5.638 50 10 JKGE COc1cc(-c2csc(/C(C#N)=C/c3cccc(OCc4ccccc4)c3)n2)c(OC)cc1Cl 1872793586 IMPPROFCDGYRBD-RGVLZGJSSA-N 488.996 7.124 50 10 JKGE COc1cc(C)c(-c2csc(/C(C#N)=C/c3ccc(OC(=O)c4ccccc4)cc3)n2)cc1C 1872795011 IHDFXSYZOQDSFW-PXLXIMEGSA-N 466.562 6.719 50 10 JKGE COc1ccc(C)cc1-c1csc(/C(C#N)=C(\O)c2cc(C(F)(F)F)cc(C(F)(F)F)c2)n1 1873921019 QCXMAQVVVLCOPS-MNDPQUGUSA-N 484.421 7.115 50 10 JKGE CC(C)[C@H](CCl)N(Cc1ccccc1)Cc1ccc(Cl)c(I)c1 1900395155 FCWLMPAKMOTRMN-IBGZPJMESA-N 462.202 6.210 50 10 JKGE COc1sc([C@H](Br)c2c(C)nsc2Br)cc1Br 1912941754 IOOWQRAYBMNGFM-QMMMGPOBSA-N 462.026 5.531 50 10 JKGE CCC1CC([C@@H](Br)c2c(Br)sc(Br)c2Cl)C1 1923074926 UIJSXXPXBLQMRG-NPWHJSNTSA-N 451.449 6.799 50 10 JKGE Clc1ccc(I)c([C@H](Cl)Cc2ccncc2Br)c1 1924046864 FPYFZKBSQDCDKB-GFCCVEGCSA-N 456.936 5.625 50 10 JKGE Cc1cc([C@H](Br)c2cc(Br)c(Cl)s2)c(Br)s1 1939962372 KTEJSEJTXOPLAM-QMMMGPOBSA-N 465.457 6.781 50 10 JKGE CC(C)C[C@@H]1CN(C(=O)OC(C)(C)C)CC[C@@]12CCC[C@H](CI)O2 1944828535 QOIFOSLYBLCPOL-MDZRGWNJSA-N 451.389 5.032 50 10 JKGE Brc1cnsc1[C@H](Br)c1cc(C2CC2)c(Br)s1 1945802006 SJSKZERBPDJRSJ-SECBINFHSA-N 458.038 6.091 50 10 JKGE CN(c1c(CBr)ccc(Br)c1Cl)[C@@H]1CC[C@H]1OCc1ccccc1 1950438285 WPTPMSHBIOYGNG-IAGOWNOFSA-N 473.636 6.181 50 10 JKGE Cc1cc(Br)c([C@@H](Br)c2ccsc2Cl)cc1Br 2007552942 JKNVCTQVZZKUAO-NSHDSACASA-N 459.428 6.719 50 10 JKGE C[C@@H]1C[C@H]([C@H](Br)c2c(Br)sc(Br)c2Cl)CCO1 2011644526 OWMHOTDRVJWXFP-JKMUOGBPSA-N 467.448 6.178 50 10 JKGE CC[C@@H](C)[C@@H](CI)NCc1cccc(Br)c1Br 2023044270 PSUPCNSQFAISRN-BXKDBHETSA-N 475.006 5.151 50 10 JKGE Cc1cc(Cl)c(Br)cc1[C@@H](Br)c1csc(Br)c1 2023698694 UNCQGTIIWQQMDA-LBPRGKRZSA-N 459.428 6.719 50 10 JKGE CCc1cc(Br)c([C@@H](Cl)c2ccc(I)c(C)c2)s1 2086019296 JIDRKNFWMRZHDU-ZDUSSCGKSA-N 455.586 6.314 50 10 JKGE COCCc1ccc([C@H](Br)c2csc(Br)c2Br)cc1 2093941731 AXNJWNBDJULGLO-LBPRGKRZSA-N 469.036 5.946 50 10 JKGE Fc1cc(Cl)c(Br)cc1[C@@H](Cl)c1ccc(Br)cc1Br 2097835518 SMWHPYVSSYIRSG-ZDUSSCGKSA-N 491.807 7.095 50 10 JKGE Brc1ccc(Br)c([C@H](Br)c2cc3ncccc3s2)c1 2108673871 QJKOAXVCTCXVDU-AWEZNQCLSA-N 462.004 6.306 50 10 JKGE CN(Cc1ccccc1)[C@H]1CCCCN(c2c(CCl)ccc(Br)c2Cl)C1 2112858453 IOULJJOEIZYMIG-SFHVURJKSA-N 456.255 6.332 50 10 JKGE Clc1c(Br)cccc1CC[C@@H](Br)c1ccc(Br)cc1 2113481655 SKZACAAVBGXASW-CYBMUJFWSA-N 467.426 6.934 50 10 JKGE Fc1ccc(Br)cc1CC[C@H](Br)c1cccc(Br)c1 2113489929 WOEJJJAHWISDHM-AWEZNQCLSA-N 450.971 6.420 50 10 JKGE Fc1cc(Br)cc(N2CC[C@]3(CCN(Cc4ccccc4)C3)C2)c1CBr 2114263866 FSMTZMBVLYQXKY-NRFANRHFSA-N 482.235 5.586 50 10 JKGE CCO[C@@H]1CC[C@@H]([C@@H](Br)c2cc(Br)c(C)cc2Br)C1 2118272962 VCTNRRIYTVYRFV-UEKVPHQBSA-N 455.028 6.161 50 10 JKGE CO[C@@H]1CCC[C@H]([C@@H](Br)c2cc(Br)c(C)cc2Br)C1 2126395170 OZYNGRCXLDWIFN-FIXISWKDSA-N 455.028 6.161 50 10 JKGE CC(C)(C)[C@H]1[C@@H](Br)CCN1Cc1cccc(Br)c1Br 2128675936 LILOUVPLQQRDTR-GXTWGEPZSA-N 454.044 5.596 50 10 JKGE C[C@H](Cl)C[C@@H]1CCCCCN1c1ncc(I)cc1Br 2133372169 MKXVBYUJWGYIPA-JQWIXIFHSA-N 457.581 5.215 50 10 JKGE COc1cc(Cl)c([C@H](Br)c2ccccc2OCc2ccccc2)cc1Br 2137648731 QJXFGMNOFAKUCA-OAQYLSRUSA-N 496.626 7.174 50 10 JKGE C[C@H](Cl)c1nc2cc(Br)c(Cl)cc2n1[C@H]1CN(Cc2ccccc2)C[C@@H]1C 2160077693 AFEWLSQQLHWQFP-YRVVQQKDSA-N 467.238 6.445 50 10 JKGE BrCC(CBr)(C[C@@H]1C[C@H]2CC[C@H]1O2)c1ccc(Br)cc1 2168070132 NVEZRFNLNVPPJZ-NILFDRSVSA-N 467.039 5.434 50 10 JKGE CC(C)(C)OC(=O)N1CC[S@@](=O)(=NCC2(CBr)CCCCCC2)C(C)(C)C1 2189326116 ZRUKDEGJHMUYSY-MHZLTWQESA-N 465.498 5.219 50 10 JKGE COCc1ccccc1[C@H](Br)c1cc(Br)c(C)cc1Br 2191242971 IOAWVCLBGAFYNM-INIZCTEOSA-N 463.007 6.151 50 10 JKGE CC(C)(C)OC(=O)NC[C@H]1C[C@H]([S@](C)(=O)=NCCCCCCCCCBr)C1 2192623334 FLNWIODCTKIHFP-VFUKXHBFSA-N 467.514 5.513 50 10 JKGE COc1cc(C)c([C@@H](Br)c2cc(Br)ccc2C)cc1Br 2198736921 JUJUYLXYSLTEDV-INIZCTEOSA-N 463.007 6.321 50 10 JKGE Cc1cc(Cl)c(Br)cc1[C@@H](Br)Cc1ccc(Cl)c(Cl)c1 2202351504 JEXNNZGTQPXQLY-NSHDSACASA-N 457.420 7.396 50 10 JKGE Cc1c(Br)ccc([C@H](Br)[C@@H]2CC[C@@]3(C2)CC3(F)F)c1Br 2203687325 WUWKUWUAZRUQBO-OWYVNGRQSA-N 472.993 6.782 50 10 JKGE ClCc1cc(Cl)cc(Cl)c1OCc1ccc(I)c(Cl)c1 2208040312 RBSKCDYQWRZSEM-UHFFFAOYSA-N 461.941 6.569 50 10 JKGE ClCc1nc2cc(Br)c(Br)cc2n1[C@@H]1CCN(Cc2ccccc2)C1 2218660788 ZUCLRAHOALSFOD-CQSZACIVSA-N 483.635 5.747 50 10 JKGE COc1cc(C)c(Br)cc1[C@@H](Br)c1scc(Br)c1C 2226125283 XTLMDZVPELIPFP-CYBMUJFWSA-N 469.036 6.383 50 10 JKGE Cc1nc([C@@H](Br)c2c(F)cc(F)c(Br)c2F)c(Br)s1 2227807028 SNCILRLPLREQCD-QMMMGPOBSA-N 479.941 5.878 50 10 JKGE FC(F)(F)CCCCO[C@H](CI)c1ccc(Br)cc1 2230092842 DZPZHMJJQNPUSA-GFCCVEGCSA-N 451.064 5.674 50 10 JKGE COc1cc2c(cc1Br)nc(CCl)n2C[C@@H]1CC1(Br)Br 2233041811 VCZQRZYVTZLYDJ-ZETCQYMHSA-N 487.417 5.052 50 10 JKGE COc1c(C(C)C)cc(Br)cc1[C@@H](Br)c1csnc1Br 2233162362 NDGGRVNSFDIVMU-GFCCVEGCSA-N 484.051 6.284 50 10 JKGE COCc1csc([C@H](Br)c2c(Br)cc(C)c(Br)c2C)c1 2235612311 NTKSPXAEJAOPHU-HNNXBMFYSA-N 483.063 6.521 50 10 JKGE COc1ccc([C@H](Br)Cc2ccc(Br)cc2Cl)c(Br)c1 2237451557 SZFCSNJNXGQAAU-CYBMUJFWSA-N 483.425 6.552 50 10 JKGE Brc1cc2sc([C@@H](Br)c3cscc3Br)cc2s1 2252905136 MSDBBMKJIJHBHI-NSHDSACASA-N 473.074 7.034 50 10 JKGE COc1ccc([C@@H](Cl)c2cc(I)sn2)c(Br)c1Cl 2256329229 KXTDCRNNTXUGSA-SNVBAGLBSA-N 478.964 5.500 50 10 JKGE COc1c([C@H](Br)c2c(Cl)sc(Br)c2Cl)csc1C 2259129684 CUDCJWWHONJBJR-ZETCQYMHSA-N 451.032 6.680 50 10 JKGE C=CC[C@@]1(CBr)CCN(C(=O)c2scc(Br)c2Br)C1 2272174108 PFKGRAPHWUCIOS-ZDUSSCGKSA-N 472.040 5.076 50 10 JKGE CC1([C@H](Br)c2c(F)cc(Br)c(F)c2Br)CC(F)(F)C1 2272855883 PFFFUDVLVKOSIB-SNVBAGLBSA-N 468.908 6.361 50 10 JKGE Cc1ccc([C@@H](Cl)Cc2cc(Br)cc(Br)c2)cc1Br 2277962138 CXOQEXZZJMHMIT-HNNXBMFYSA-N 467.426 6.805 50 10 JKGE CCn1cc(Br)c([C@H](Br)c2ccc(OC)c(Cl)c2Br)n1 2283568828 RRVKWVYWWHEKQJ-LLVKDONJSA-N 487.417 5.574 50 10 JKGE Cc1sc([C@@H](Br)c2c(F)cc(Br)c(F)c2Br)c(C)c1C 2288488887 NJZXXUFYCPWUST-LBPRGKRZSA-N 489.017 6.961 50 10 JKGE COC(=O)C(F)=CCCCCCCCCCO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C 2294814071 SUNHUNYJAYQYLZ-UHFFFAOYSA-N 484.728 6.710 50 10 JKGE N#CC(=Cc1ccc(-c2ccccc2[N+](=O)[O-])o1)C(=O)Nc1cc(C(F)(F)F)ccc1Cl 2294818799 KYEYYSIJIWKCKY-UHFFFAOYSA-N 461.783 6.073 50 10 JKGE COc1ccc(C(=O)Oc2ccc(C=C(C#N)C(=O)Nc3ccccc3C(F)(F)F)cc2)cc1 2295459737 SVEHOGGNMJENII-UHFFFAOYSA-N 466.415 5.479 50 10 JKGE N#CC(=Cc1ccc(COc2ccc(Br)cc2)o1)C(=O)Nc1cccc2ccccc12 2295669960 RDLIPNZMUNVTNW-UHFFFAOYSA-N 473.326 6.320 50 10 JKGE CCOc1cc(C=C(C#N)C(=O)Nc2c(C)cc(C)cc2C)ccc1OCc1ccc(Cl)cc1 2297491190 RTOLGNDKABBVRP-UHFFFAOYSA-N 474.988 6.789 50 10 JKGE Cn1c(C(C#N)=Cc2c(Oc3ccc(Br)cc3)nc3ccccn3c2=O)nc2ccccc21 2297497764 FAAKDEUMGUWPJK-UHFFFAOYSA-N 498.340 5.200 50 10 JKGE N#CC(=Cc1ccc(-c2ccc([N+](=O)[O-])cc2Cl)o1)C(=O)Nc1nc2ccccc2s1 2297500373 OTHGFBRICCZSRP-UHFFFAOYSA-N 450.863 5.664 50 10 JKGE Cn1cnc(Br)c1[C@H](Br)c1ccc(Br)cc1Br 2300291155 SYJOCHMDNKYSGP-SECBINFHSA-N 487.815 5.192 50 10 JKGE Fc1ccc(Br)cc1[C@@H](Cl)c1sc(Cl)cc1I 2300955000 FZFXUGUXWYEOAW-SNVBAGLBSA-N 465.940 6.236 50 10 JKGE C[C@@H]1CCC[C@H](Br)[C@H]1Cc1ccc(I)c(Br)c1 2306200228 VQWISACVFQVRER-USWWRNFRSA-N 472.002 5.796 50 10 JKGE CCOc1cc(C=C(C#N)C(=O)Nc2cccc(C)c2C)ccc1OCc1ccccc1Cl 2313667527 OSFXBKNZEYGWKT-UHFFFAOYSA-N 460.961 6.480 50 10 JKGE COc1ccc(C=C(C#N)C(=O)Nc2cccc([N+](=O)[O-])c2)cc1OCc1ccccc1Cl 2313670674 OOKPBVZXHPOQPL-UHFFFAOYSA-N 463.877 5.381 50 10 JKGE N#CC(=Cc1ccc(-c2cccc(C(F)(F)F)c2)o1)C(=O)Nc1sc2c(c1C#N)CCCC2 2314486190 BIDVBTGTSAVSBJ-UHFFFAOYSA-N 467.472 6.323 50 10 JKGE N#CC(=Cc1cn(-c2ccccc2)nc1-c1ccccc1)C(=O)Nc1sc2c(c1C#N)CCCC2 2314488171 JPIWJJPXDCLRCC-UHFFFAOYSA-N 475.577 5.897 50 10 JKGE Fc1c(Br)cc(Cl)c([C@@H](Cl)c2coc(Br)c2)c1Br 2315441614 JHYJTWZJBAEKOD-JTQLQIEISA-N 481.768 6.688 50 10 JKGE Brc1cc(Br)c([C@@H](Br)[C@H]2C[C@H]3CCC[C@H]2CC3)s1 2316789649 FBIKUEOQYSOTHE-YVNDNENWSA-N 457.069 6.926 50 10 JKGE CCn1cc(C=C2Oc3cc(OCc4cccc(CCl)c4)ccc3C2=O)c2cc(OC)ccc21 2325361252 MAAHRBMUSFUOIY-UHFFFAOYSA-N 473.956 6.604 50 10 JKGE COc1ccc(Br)cc1C=C1Oc2cc(OCc3cccc(CCl)c3)cc(C)c2C1=O 2325363424 SSMZOMRWJDJJRY-UHFFFAOYSA-N 499.788 6.700 50 10 JKGE CC[C@H](C)[C@H](NC(=O)OC(C)(C)C)C(=O)NN=Cc1ccccc1OCc1ccccc1Cl 2328821170 XKSVCXHZUFJBBV-JTSKRJEESA-N 474.001 5.309 50 10 JKGE CCc1ccc(-c2csc(C(C#N)=C(O)c3ccc(N4C(=O)c5ccccc5C4=O)cc3)n2)cc1 2331245380 FIOJUSRQBJIFPA-UHFFFAOYSA-N 477.545 6.123 50 10 JKGE Cc1cc(C)c(C)c(-c2csc(C(C#N)=C(O)C(=Cc3ccccc3)c3ccccc3)n2)c1C 2331364626 RJUROBJDCNZZFL-UHFFFAOYSA-N 462.618 8.077 50 10 JKGE COc1cc(Cl)c(C)cc1-c1csc(C(C#N)=C(O)c2cc([N+](=O)[O-])cc([N+](=O)[O-])c2)n1 2331392016 GHOZDFRLBKLXTO-UHFFFAOYSA-N 472.866 5.547 50 10 JKGE Cc1cc(C)c(-c2csc(C(C#N)=C(O)[C@@H](C)Oc3ccc(Cl)cc3Cl)n2)c(C)c1 2331394410 DTHPQHMUHWGKLH-OAHLLOKOSA-N 459.398 7.302 50 10 JKGE Cc1cc(Br)c(C)c([C@@H](Br)[C@H]2C[C@@H]3C[C@@H]3CO2)c1Br 2332925828 RQXFMRBUFSPBOZ-MAWWSGROSA-N 453.012 5.689 50 10 JKGE Cc1c(Cl)sc(Cl)c1[C@@H](Br)c1cc(F)c(Br)cc1F 2336085910 IJCAYLCGDHIIIC-JTQLQIEISA-N 450.957 6.888 50 10 JKGE Fc1c(Br)cc(Cl)c([C@H](Br)[C@]23CCCC[C@@H]2C3)c1Br 2337082794 QFPKNEXCBMHXLC-ISEFBEROSA-N 475.421 7.020 50 10 JKGE COc1cc(Br)c([C@H](Br)c2cnsc2Br)cc1OC 2337334278 KZZLKOBQJFIOJU-NSHDSACASA-N 471.996 5.170 50 10 JKGE COC1(C(F)F)CC([C@H](Br)c2sc(Br)c(C)c2Br)C1 2343014717 YLGIAZWZZHGBIB-XMDDQKSNSA-N 483.010 6.078 50 10 JKGE Brc1cc(CN2C[C@@H](Br)CC23CCCC3)ccc1I 2349833741 IKEUXAKKNBDCKT-LBPRGKRZSA-N 499.028 5.336 50 10 JKGE CC1(C)CCCN(Cc2cc(I)ccc2Cl)[C@@H]1CBr 2352413664 KJDRGTZOIUTNIL-CQSZACIVSA-N 456.593 5.330 50 10 JKGE Cc1cc(Br)c([C@@H](Br)[C@@H]2CCC[C@H]2C(C)C)c(C)c1Br 2358673938 RPXVHRZPMIBPFX-AHIWAGSCSA-N 467.083 7.337 50 10 JKGE COC[C@@]1([C@H](Br)c2c(F)cc(Cl)c(Br)c2Cl)CCCO1 2360406383 KHZPYIMOJQYTQB-CHWSQXEVSA-N 450.957 5.527 50 10 JKGE CCCCCCC[C@H](Br)c1c(C)cc(Br)c(OC)c1Br 2365189637 WWGSKCZXGQXVPS-LBPRGKRZSA-N 471.071 7.325 50 10 JKGE COc1c(Br)cc(C)c([C@@H](Br)[C@H]2CC(C)(C)CO2)c1Br 2365215504 KZUJNTCFRGHLLV-PWSUYJOCSA-N 471.027 5.780 50 10 JKGE CC(C)(C)Oc1ccc([C@@H](Br)c2cc(Br)sn2)cc1Br 2381319017 GXPOTLBJNLVITD-CYBMUJFWSA-N 484.051 6.330 50 10 JKGE Cc1cc(C)c([C@@H]2[C@H]3CCCC=C3C(C#N)=C(N)C2(C#N)C#N)cc1COc1ccccc1Cl 2727636 YCWAWUFENNXTOP-LVXARBLLSA-N 468.988 6.129 50 10 JKGE COc1cc(/C=C(\C#N)c2ccc(C(=O)O)cc2)cc(Br)c1OCc1ccccc1C#N 2884815 CCJOJOCFGUBUPQ-UFFVCSGVSA-N 489.325 5.671 50 10 JKGE CCOC(=O)c1sc(NC(=O)CCCSc2ccc(OC)cc2)c(SC#N)c1C 9474381 WPZMGRCDLIXDQK-UHFFFAOYSA-N 450.607 5.326 50 10 JKGE Cc1cc(Br)cc(Br)c1OCC(=O)N/N=C/c1cccc(Cl)c1Cl 12483084 OEDDRVQNSUIDGS-QPSGOUHRSA-N 494.998 5.356 50 10 JKGE CC[C@@H]1CCC/C1=N\NC(=O)COc1ccc2cc(Br)ccc2c1Br 12491543 KNTCGENDVCKSBF-PEUHRCAASA-N 468.189 5.426 50 10 JKGE O=C(NC(=S)NNC(=O)c1sc2ccccc2c1Cl)c1ccc(-c2ccccc2)cc1 12500691 CMDIMCWXEHTHAV-UHFFFAOYSA-N 465.987 5.171 50 10 JKGE CCCCCCOc1ccc(C(=O)NNC(=O)c2cc(Br)ccc2OCC(C)C)cc1 14667037 YGPACIWUTCNTGK-UHFFFAOYSA-N 491.426 5.518 50 10 JKGE C/C(=N\NC(=O)c1ccccc1NC(=O)c1ccccc1C)c1ccc(Br)cc1 20073902 XIISIZANDORLPU-WGOQTCKBSA-N 450.336 5.164 50 10 JKGE CCOc1cc(/C=C(/C#N)C(=O)Nc2ccc([N+](=O)[O-])cc2C)cc(Br)c1OCC 33929981 PRASVJWUYFXXFB-DHDCSXOGSA-N 474.311 5.009 50 10 JKGE CCCOc1ccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)[C@H](C)Oc4ccc(F)cc4)ccc32)cc1 38650678 HBCXGLPBUKXMKZ-QLXKLKPCSA-N 488.515 5.206 50 10 JKGE CC(C)(C)c1ccc(C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@@H]3c2cccc3ccccc23)cc1 38657632 DTORCZDKVCYHCF-MUUNZHRXSA-N 474.560 6.575 50 10 JKGE N#CC1=C(N)Oc2cc(OC(=O)C(c3ccccc3)c3ccccc3)ccc2[C@@H]1c1cccc(F)c1 38678391 ZFSVZKLXWTZNHG-NDEPHWFRSA-N 476.507 5.781 50 10 JKGE N#CC1=C(N)Oc2cc(OC(=O)Cc3ccccc3)ccc2[C@H]1c1c(Cl)cccc1Cl 38680080 QYORBSJTYBRUPH-JOCHJYFZSA-N 451.309 5.360 50 10 JKGE Cc1cccc(NC(=S)NNC(=O)c2ccc(-c3cc(C(F)(F)F)ccc3Cl)o2)c1 39892536 TZCQHSHTODEYCM-UHFFFAOYSA-N 453.873 5.559 50 10 JKGE COc1ccc(C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@H]3c2ccc(C(C)(C)C)cc2)cc1Cl 40530293 LYKMKQHXNVKZIO-VWLOTQADSA-N 488.971 6.083 50 10 JKGE Cc1ccc(OC(=O)c2oc3c(c2C)/C(=N/NC(=O)c2ccc(Br)cc2)CCC3)cc1 40811817 ZREYJEKYNZEAEK-LGUFXXKBSA-N 481.346 5.349 50 10 JKGE CCOc1c(/C=N/NC(=O)CCCOc2ccc(C(C)(C)C)cc2Br)cccc1OC 40959239 GRRPHNUTWXUJMP-WGOQTCKBSA-N 491.426 5.463 50 10 JKGE COc1cc(/C=N/NC(=O)CSc2ccc(Cl)cc2)ccc1OCCc1ccccc1 40961724 JFQZMEMHUWEZNE-WGOQTCKBSA-N 454.979 5.213 50 10 JKGE COc1cc(OC)c(OC)cc1/C=N/NC(=O)c1ccc(OCc2ccc(Cl)cc2Cl)cc1 48573723 YOTBFOZMZGACSK-UVHMKAGCSA-N 489.355 5.362 50 10 JKGE C[C@H](NC(=O)/C(C#N)=C/c1cc(Br)ccc1OCc1ccc(Cl)cc1)c1ccccc1 59245270 LGMDUKMIHJKZEB-RSZPVBOMSA-N 495.804 6.466 50 10 JKGE C=CCOc1c(CC=C)cc(/C=N/NC(=O)c2cc3cc(Br)ccc3o2)cc1OCC 59680179 GFCGKWWBMMDKKC-CVKSISIWSA-N 483.362 5.651 50 10 JKGE Cc1[nH]c2ccccc2c1C(=O)/C(C#N)=C\c1cccc(/C=C(/C#N)C(=O)c2c(C)[nH]c3ccccc23)c1 96791973 SCGGXEJSXVPNAO-MPKYGIEOSA-N 494.554 6.846 50 10 JKGE N#C/C(=C/c1cc(Br)ccc1OCc1ccccc1)c1nc(O)c2ccccc2n1 96925784 NLPRUVKSIDVKMJ-PDGQHHTCSA-N 458.315 5.741 50 10 JKGE C[C@@H]1CCCC[C@@H]1NC(=O)[C@@H](c1ccc(Cl)cc1)N(Cc1ccc(F)cc1)C(=O)CCl 97914232 SZKVMNJNUIEAPD-XORNHQRDSA-N 465.396 5.483 50 10 JKGE CCOC(=O)c1c(N/C=C(\C#N)c2nc(-c3cccc(OC)c3)cs2)sc(C(=O)OC)c1C 102924503 PGORMOCBRVBKRT-RVDMUPIBSA-N 483.571 5.129 50 10 JKGE COc1ccc(-c2nn(-c3ccccc3)cc2/C=C(/C#N)C(=O)Nc2cccc3ncccc23)cc1 103338675 NWFMQYYAUZQFKS-FXBPSFAMSA-N 471.520 5.642 50 10 JKGE N#C/C(C(=O)Cn1cnc2scc(-c3ccc(Cl)cc3)c2c1=O)=C1\Nc2ccccc2S1 103908352 CMACAEKSLOEMRQ-QNGOZBTKSA-N 476.970 5.300 50 10 JKGE Clc1cnccc1CC(CBr)(CBr)c1cccc(Br)c1 118878683 VPHSKOMGYFQTRF-UHFFFAOYSA-N 482.441 5.768 50 10 JKGE Cc1cc(Br)c([C@H](Br)c2ccc(Cl)s2)cc1Br 128814149 UWADQQUVWFPRAZ-LBPRGKRZSA-N 459.428 6.719 50 10 JKGE COc1ccc([C@H](Cl)c2cc(Br)c(Br)s2)c(Br)c1 128855476 QHTCBARJUPPVNX-NSHDSACASA-N 475.427 6.372 50 10 JKGE CCOc1cc(Cl)c([C@@H](Br)Cc2cccc(Br)c2)cc1Cl 164580592 YMVFMLMFTVRVCG-ZDUSSCGKSA-N 453.001 6.833 50 10 JKGE Fc1cccc([C@H](Br)c2cc(Br)c(Br)s2)c1Cl 165461918 GQCXKPXACNORMT-VIFPVBQESA-N 463.391 6.550 50 10 JKGE CCCCCCCOc1ccccc1/C=N\NC(=O)c1ccc2nc(SC(C)C)[nH]c2c1 169917902 PSSSJHCCKIDHHA-ONUIUJJFSA-N 452.624 6.177 50 10 JKGE CCc1ccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)/C=C\c4ccc(C(C)(C)C)cc4)ccc32)cc1 205652361 ZAXBEQRQYMBBKM-DIFPTGOTSA-N 478.592 6.383 50 10 JKGE COc1cc(/C=C(\C#N)C(=O)NCc2ccccc2)ccc1OC(=O)/C=C\c1ccc(C(C)C)cc1 206395212 RVQJKJKZPIMYRF-UDLMNGNDSA-N 480.564 5.661 50 10 JKGE CCOc1ccc([C@H](Br)c2cc(Cl)cc(Br)c2)cc1Br 233790581 XFBNPPGDCDRPJX-HNNXBMFYSA-N 483.425 6.748 50 10 JKGE COc1cc(F)c(Br)cc1[C@@H](Cl)c1ccc(F)cc1I 234879762 GMVBDYWHEUFLMA-AWEZNQCLSA-N 473.482 5.669 50 10 JKGE Cc1ccc(C[C@H](Br)c2cc(Br)ccc2I)cc1 235920275 YNIHDZMRTLTGJS-AWEZNQCLSA-N 479.981 6.041 50 10 JKGE CC1(C)[C@@H](c2nc3ccccc3[nH]2)CC[C@]1(C)C(=O)NN=Cc1ccc(Br)cc1 254825528 KOYLXBQSRCOEFD-UZUQRXQVSA-N 453.384 5.386 50 10 JKGE BrCc1cc(I)c2c(I)csc2c1 306909835 HTJDPOSVWSUIMS-UHFFFAOYSA-N 478.918 5.005 50 10 JKGE CC(C)(C)OC(=O)N1C[C@H](c2cc(Br)cc(Br)c2)[C@@H](CBr)C1 382705983 FNEIFOIRZNBGQU-SMDDNHRTSA-N 498.053 5.557 50 10 JKGE CC(C)(C)OC(=O)N1CCC[C@](CI)(O[C@H]2C[C@H]3CC[C@@]2(C)C3(C)C)C1 387936292 BMNKTXGUQWQONL-VAKZPMALSA-N 477.427 5.423 50 10 JKGE CC1(C)C[C@H](Br)CCN(C(=O)c2cc(Br)sc2Br)C1 395349883 DFGPKARJZKLPCO-MRVPVSSYSA-N 474.056 5.299 50 10 JKGE C[C@H](Cl)c1nc2cc(F)c(Br)cc2n1[C@]1(C)CCN(Cc2ccccc2)C1 405976895 XVJMGJABTZHOKN-LHSJRXKWSA-N 450.783 5.859 50 10 JKGE N#CSc1ccc(NC(=O)c2cccc(NC(=O)N3CCN(c4ccccc4F)CC3)c2)cc1 586674073 PPXQLFDCAYRMBY-UHFFFAOYSA-N 475.549 5.005 50 10 JKGE C[C@]12CC[C@]3(C)c4ccc(CC(=O)C(CCCl)CCCl)cc4CC[C@@]3(C)[C@]1(C)CC[C@@H]2O 616582463 HTDGTMJUSLSPND-DJOAIXOZSA-N 479.532 6.844 50 10 JKGE CN(C(=O)OC(C)(C)C)c1ccc([C@H]2COCCN(CCO[Si](C)(C)C(C)(C)C)C2)cc1 616663058 HBUBXSITJSTXFV-OAQYLSRUSA-N 464.723 5.496 50 10 JKGE Brc1ccc([C@@H](Br)c2cc(Br)cc3c2OCCC3)cc1 688378227 INVMLEHLGVCWKK-OAHLLOKOSA-N 460.991 6.021 50 10 JKGE BrCc1cc(Br)c(OC[C@@H]2CC3CCC2CC3)c(Br)c1 691775463 XDDGCJXTPNOACK-GDKBPFBDSA-N 467.039 6.312 50 10 JKGE Brc1cc([C@H](Br)[C@@H]2CCC[C@H]3CCCC[C@@H]32)c(Br)s1 714457352 RCNZWWOHAYNTCG-FBKDDSFISA-N 471.096 7.316 50 10 JKGE Fc1cc(COc2ccc(Br)cc2CBr)ccc1Br 721982953 WLNVEJWBVPTPGB-UHFFFAOYSA-N 452.943 5.825 50 10 JKGE CCOc1cc(C=NNC(=O)c2cc3ccccc3o2)cc(Cl)c1OCc1ccc(F)cc1 1083900685 GOVBYWUGJAPAHZ-UHFFFAOYSA-N 466.896 5.967 50 10 JKGE Cc1cc(C=NNC(=O)c2cc3ccccc3o2)c(C)n1-c1ccc(Oc2ccc([N+](=O)[O-])cn2)cc1 1084070022 KPJYNBJHHGHNNA-UHFFFAOYSA-N 495.495 5.700 50 10 JKGE Cc1ccccc1CSCC(=O)NN=Cc1c(Br)c(C)n(-c2ccccc2C)c1C 1084502048 KYMPOJGIJOIPMB-UHFFFAOYSA-N 484.463 5.857 50 10 JKGE CCOc1cc(C=NNC(=O)CSCc2ccc(OC)cc2)ccc1OCc1cccc(Cl)c1 1084570007 VGGJXQABWPQRIZ-UHFFFAOYSA-N 499.032 5.710 50 10 JKGE O=C(NN=C(Cc1ccccc1)c1ccc(OC(F)F)cc1)Nc1ccc2c(c1)OC(F)(F)O2 1088696606 XELTYRCQCREEOI-UHFFFAOYSA-N 475.398 5.378 50 10 JKGE O=C(OCc1ccccc1)N1C[C@H](CI)[C@H](c2cccc(C(F)(F)F)c2)C1 1614811945 QYHYQMVBALMLLB-WMZOPIPTSA-N 489.275 5.493 50 10 JKGE CCOc1ccc([C@@H]2C(C#N)=C(N)Oc3c2c(C)nn3-c2ccc(Cl)c(Cl)c2)cc1OCC 1865687132 KEJDXJAKMSILRM-JOCHJYFZSA-N 485.371 5.503 50 10 JKGE CCCCCOc1ccc([C@H]2C(C#N)=C(N)Oc3c2c(CC)nn3Cc2ccccc2)cc1OCC 1865691643 XFCVRJXOECSINY-SANMLTNESA-N 486.616 5.680 50 10 JKGE CCCOc1cccc([C@H]2C(C#N)=C(N)Oc3c2c(C(F)(F)F)nn3-c2cccc3ccccc23)c1 1865693695 LUACLNGYWPDLTO-QFIPXVFZSA-N 490.485 6.051 50 10 JKGE COc1ccc(-c2nn(Cc3c(F)cccc3Cl)c3c2[C@@H](c2ccncc2)C(C#N)=C(N)O3)cc1 1865702097 MMZGYLABIWUING-QFIPXVFZSA-N 487.922 5.013 50 10 JKGE N#CC1=C(N)Oc2c(c(C(F)(F)F)nn2-c2cccc3ccccc23)[C@@H]1c1ccc([N+](=O)[O-])cc1 1865712967 NFAJUEMXJRTRKZ-LJQANCHMSA-N 477.402 5.171 50 10 JKGE N#C/C(=C\c1ccc(Br)cc1)C(=O)Nc1cc(C(F)(F)F)cc(C(F)(F)F)c1 1866128589 AICMNFGWHALXCX-VZUCSPMQSA-N 463.175 6.032 50 10 JKGE CC[C@@H](C(=O)N[C@H](C(=O)Nc1ccc(SC#N)cc1)c1ccccc1)c1ccc(Cl)cc1 1866948441 GTUQZZKHRREODP-PKTZIBPZSA-N 463.990 5.903 50 10 JKGE COC(=O)c1ccc(/C(C#N)=C/c2ccc(OCc3c(Cl)cccc3Cl)c(OC)c2)o1 1872728726 PQDFTNPEEIOHKT-XNTDXEJSSA-N 458.297 6.025 50 10 JKGE CC(C)(C)c1ccc(C(=O)NC/C(O)=C(\C#N)c2nc(-c3ccc(-c4ccccc4)cc3)cs2)cc1 1872743591 CITVTSGFZMVLJD-RFBIWTDZSA-N 493.632 6.997 50 10 JKGE CCc1ccc(-c2csc(/C(C#N)=C(\O)[C@H](CC(C)C)N3C(=O)c4ccccc4C3=O)n2)cc1 1872744583 ZCGQHVVKBHPSFC-HHUUSFLGSA-N 471.582 5.876 50 10 JKGE COc1cc(-c2csc(/C(C#N)=C(\O)c3cc([N+](=O)[O-])cc([N+](=O)[O-])c3)n2)c(OC)cc1Cl 1872756134 DMAUEIVKYVMHTH-RGEXLXHISA-N 488.865 5.247 50 10 JKGE COC(=O)c1ccc(/C=C/C(O)=C(\C#N)c2nc(-c3cc(OC)c(Cl)cc3OC)cs2)cc1 1872756518 NPPOPSPMGKMAEB-QOUZIFTOSA-N 482.945 5.773 50 10 JKGE COc1ccc(Cl)cc1-c1csc(/C(C#N)=C(\O)c2cccc(Oc3ccccc3)c2)n1 1872758539 FWBAUBXXTBJLAA-FLFQWRMESA-N 460.942 7.214 50 10 JKGE CCCOc1ccc(/C=C(\C#N)c2nc(-c3cc(OCC)ccc3OCC)cs2)cc1OCC 1872792781 QMISXEPSSRAESR-XSFVSMFZSA-N 478.614 6.859 50 10 JKGE CCCCOc1ccc(/C=C(\C#N)c2nc(-c3cc(Cl)c(OC)c(Cl)c3)cs2)cc1OC 1872794593 KRJQVOMUGKCVSM-RQZCQDPDSA-N 489.424 7.377 50 10 JKGE C[C@@H](CCBr)N(Cc1ccccc1)C(=O)c1cccc(I)c1 1915113514 BEBRLLPOBHEDEP-AWEZNQCLSA-N 472.164 5.107 50 10 JKGE Cc1c(Br)sc([C@H](Br)[C@H]2CCCCC2(C)C)c1Br 1922953727 HAXPYKPWLMPPAZ-MWLCHTKSSA-N 459.085 7.234 50 10 JKGE C[C@@H](c1ccncc1Br)[C@H](Cl)c1csc(Br)c1Br 1924070396 JOEFWKSMVMAQOS-KGFZYKRKSA-N 474.443 6.514 50 10 JKGE F[C@@H]1CCC[C@@H]([C@@H](Cl)c2c(Br)sc(Br)c2Br)C1 1924570899 NDORAQWQMFGGGO-HCVRKRLWSA-N 469.439 6.844 50 10 JKGE CN(CCN(Cc1ccccc1)c1cc(C(F)(F)F)ccc1CBr)Cc1ccccc1 1949989127 FGJBWLCFZBCDFV-UHFFFAOYSA-N 491.395 6.739 50 10 JKGE CN[C@H](c1c(Br)sc(Br)c1Br)C1CC(Cl)C1 1991696336 IIYLUNAGZUQWCH-YXFGPURMSA-N 452.437 5.314 50 10 JKGE Cc1c(Cl)cc([C@@H](Br)c2sccc2Br)cc1Br 2002241518 CMIDGVBNPQARGP-LLVKDONJSA-N 459.428 6.719 50 10 JKGE Brc1cccc([C@@H](Br)c2ccc(Br)cc2Br)c1 2024296035 XPGBHRAYSYHEIA-CYBMUJFWSA-N 483.823 6.458 50 10 JKGE Cc1cc([C@H](Cl)c2cc(Br)c(Cl)s2)ccc1I 2026131832 AHASQRDJVUXLOC-NSHDSACASA-N 461.977 6.405 50 10 JKGE Cc1ccccc1NC(SCC(=O)Nc1c(C)cccc1C(C)C)=C(C#N)C(=O)c1ccccc1 2040469365 OWIHJOGIPQPTIR-UHFFFAOYSA-N 483.637 6.829 50 10 JKGE Fc1ccc(I)cc1[C@H](Br)c1ccc(Cl)cc1Cl 2050465911 ZSQQPMUAHUMUTJ-CYBMUJFWSA-N 459.911 6.221 50 10 JKGE Cc1cc(Cl)c(Br)cc1[C@@H](Br)c1cn(C)nc1Br 2082378304 YSUPNWXBYFYAHN-LLVKDONJSA-N 457.391 5.391 50 10 JKGE BrCc1ccc(Br)cc1N1CCCN(Cc2ccccc2)CCOCC1 2088628953 TWPKHYMTFAJTBU-UHFFFAOYSA-N 482.260 5.073 50 10 JKGE C[C@@H]1Cc2cc(Br)cc([C@H](Br)c3sncc3Br)c2O1 2088931119 XKKYUEVPMDKOBQ-KBUNVGBDSA-N 468.008 5.476 50 10 JKGE C[C@]1(C2CC2)CN(c2ccc(CBr)c(Br)c2)CCN1Cc1ccccc1 2094733980 ZAOKDIKNYCYNRM-JOCHJYFZSA-N 478.272 5.835 50 10 JKGE Cc1cccc([C@@H](Cl)c2cc(Br)c(Cl)cc2F)c1I 2097833241 AZPWPIKUNGEYEO-CYBMUJFWSA-N 473.938 6.483 50 10 JKGE Clc1cccc(Cl)c1C[C@H](Br)c1cccc(Br)c1Br 2104779144 YOAKZFIVCXUZMF-NSHDSACASA-N 487.844 7.197 50 10 JKGE F[C@H](CBr)C1CCN(Cc2ccc(Br)cc2Br)CC1 2106951546 CEAUZHYKJBYVIT-CQSZACIVSA-N 458.007 5.157 50 10 JKGE Fc1cccc([C@H](Br)CCc2cc(Cl)ccc2I)c1 2113385448 XGOGYTFRHGCRQU-CQSZACIVSA-N 453.520 6.153 50 10 JKGE Cc1cc(Br)c(CBr)c(N2C[C@H](C)CN(Cc3ccccc3)C[C@H]2C)c1 2116804469 SEVZNFXMDSWSLW-QZTJIDSGSA-N 480.288 5.999 50 10 JKGE Clc1nc(Cl)n([C@@H]2CN(Cc3ccccc3)C3(CCCCC3)C2)c1CBr 2118792533 BIEPTWDYLODUTM-INIZCTEOSA-N 457.243 6.235 50 10 JKGE COc1cc(F)c([C@@H](Cl)c2ccccc2I)cc1Br 2138146793 SCHWAPDIJCBAHM-AWEZNQCLSA-N 455.492 5.530 50 10 JKGE Cc1c(Br)ccc([C@@H](Br)C2CC3(C2)CC3(C)C)c1Br 2138850090 GMRMFNBFLNHITK-BHKPVTDMSA-N 451.040 6.782 50 10 JKGE Cc1c(Br)ccc([C@@H](Br)C[C@H]2CCCC2(F)F)c1Br 2138862547 GKMFCBYYFQHGRX-SKDRFNHKSA-N 460.982 6.782 50 10 JKGE FC(F)(F)c1cc([C@@H](Cl)c2sc(Cl)cc2Br)ccc1Br 2154477538 GIRDXLPJVMMPSW-SNVBAGLBSA-N 468.947 7.274 50 10 JKGE CC1(C)C[C@@H](n2c(CCCl)nc3cc(I)ccc32)[C@H]1OCc1ccccc1 2156376050 OIOSGKWHHRURPW-TZIWHRDSSA-N 494.804 5.979 50 10 JKGE C[C@H](Cl)c1nc2cc(Cl)c(Br)cc2n1C[C@H]1CCN(Cc2ccccc2)C1 2168997891 CRINENJNRJSYGQ-HOCLYGCPSA-N 467.238 6.274 50 10 JKGE COc1c(Cl)cc(Br)cc1[C@H](Cl)c1ccc(F)cc1I 2203000095 SJVBBMICLCLSFI-CYBMUJFWSA-N 489.937 6.183 50 10 JKGE FC(F)Oc1ccccc1[C@@H](Br)c1ccc(Br)cc1Br 2203688946 WQGDHHCGRIOYLU-ZDUSSCGKSA-N 470.933 6.297 50 10 JKGE Cc1c(Br)ccc([C@H](Br)[C@@H]2C[C@@H]2C2CCCCC2)c1Br 2203689172 XFHVJBNIRYRLCX-CPUCHLNUSA-N 465.067 7.172 50 10 JKGE C[P@]1(=O)C[C@H](Cl)[C@@H](c2sc(Br)c(Br)c2Br)C1 2212199832 GWDXOSHUSRKLIT-DKDXWZAISA-N 471.376 5.733 50 10 JKGE Cc1nn(C)c([C@@H](Br)c2cc(Br)c(Br)s2)c1Cl 2217406656 RENYIINHPRBNSY-ZETCQYMHSA-N 463.420 5.453 50 10 JKGE Fc1ccsc1[C@@H](Br)c1c(Br)cc(Cl)c(Cl)c1Cl 2217618890 UAUNBMMNIHSDTI-QMMMGPOBSA-N 453.385 7.094 50 10 JKGE CC(C)(CC(F)F)[C@@H](Br)c1c(Br)cc(Cl)c(Cl)c1Cl 2224311570 MTOCTCLRAHBEFF-NSHDSACASA-N 459.383 7.527 50 10 JKGE Cc1cc(Br)c([C@@H](Cl)c2cccc(OCc3ccccc3)c2)c(C)c1Cl 2224319581 GDSSUHAKCMHYGB-QFIPXVFZSA-N 450.203 7.627 50 10 JKGE CCOCc1cc(Br)c([C@@H](Br)c2cn(C)c(Br)n2)s1 2224797037 SPJPGFHXZXUADZ-JTQLQIEISA-N 473.028 5.027 50 10 JKGE Cc1ccc([C@H](Cl)c2c(Br)cc(C)c(Cl)c2C)cc1I 2232838756 LKNRMEPXRSUHJT-INIZCTEOSA-N 484.002 6.961 50 10 JKGE Fc1cc(Br)cc2c1nc(CCl)n2C[C@H]1CCCCN1Cc1ccccc1 2232927640 JVZCTRYUHYIARZ-QGZVFWFLSA-N 450.783 5.731 50 10 JKGE CCC(CC)([C@H](Br)c1cc(Br)c(Br)cc1F)C(F)(F)F 2233977589 WIHSBKAHIUATGR-LLVKDONJSA-N 484.951 7.155 50 10 JKGE Fc1cc(F)c([C@@H](Br)Cc2cccc(Br)c2)c(F)c1Br 2236107980 IELOIMKXTWQPBZ-VIFPVBQESA-N 472.924 6.308 50 10 JKGE Cc1sc(Br)c([C@H](Br)c2c(F)cc(F)c(Br)c2F)c1C 2236110941 NEQOMPNOOLIGKZ-NSHDSACASA-N 492.980 6.792 50 10 JKGE Fc1cc(F)c([C@H](Br)Cc2ccccc2Br)c(F)c1Br 2236114443 LDEFFZZTUCGTMC-SECBINFHSA-N 472.924 6.308 50 10 JKGE CCCOc1ccc([C@H](Br)c2sc(C)cc2Br)cc1Br 2237634185 VAVLXRJGIDPGDR-AWEZNQCLSA-N 483.063 6.855 50 10 JKGE Cc1sc([C@@H](Br)c2cccc(I)c2)c(Br)c1C 2246388775 IYSCPTAEFKRHSB-LBPRGKRZSA-N 486.010 6.216 50 10 JKGE CCc1cc([C@H](Br)c2cccc(I)c2)sc1Br 2248011673 DUSIIWKKYQODIS-GFCCVEGCSA-N 486.010 6.162 50 10 JKGE COc1ccc([C@H](Cl)c2cscc2OCc2ccccc2)c(Br)c1Cl 2256327701 QZFPKIDTNJQCQO-SFHVURJKSA-N 458.204 7.080 50 10 JKGE CCCc1ccc([C@H](Br)c2ccc(Cl)c(I)c2)s1 2256338645 KPYORNFBPZMEIA-CQSZACIVSA-N 455.586 6.443 50 10 JKGE COc1cc(Br)c([C@@H](Br)c2scc(Br)c2Cl)cc1C 2264609112 HYRLIVCICJEEET-LLVKDONJSA-N 489.454 6.728 50 10 JKGE COc1ccc([C@H](Br)c2c(F)cccc2I)cc1Cl 2267657875 CXWZRTHYZNFZRT-AWEZNQCLSA-N 455.492 5.577 50 10 JKGE COc1ccc([C@@H](Cl)Cc2cccc(Br)c2)cc1I 2269542813 LFTOMSFVAKEXRF-ZDUSSCGKSA-N 451.529 5.585 50 10 JKGE C[C@H](Br)CN(CC(C)(C)C)C(=O)c1cc(Br)sc1Br 2272439268 ZQUOJLWYXLGZFM-QMMMGPOBSA-N 476.072 5.545 50 10 JKGE COc1ccc([C@@H](Br)c2csc(Cl)c2OC)c(Br)c1Cl 2284308622 HHGDJQDWEFSIEE-SECBINFHSA-N 461.002 6.319 50 10 JKGE COc1ccc([C@@H](Cl)c2cc(Br)c(F)cc2C)cc1I 2285983296 DQFFTTNNTXZBDA-OAHLLOKOSA-N 469.519 5.838 50 10 JKGE Cc1ccc(NC(=O)C(C#N)=C2S[C@H](Cc3cccc(C)c3)C(=O)N2c2ccc(F)cc2)cc1 2293038882 DOAURYFCWSQWJI-XMMPIXPASA-N 471.557 5.508 50 10 JKGE CCc1ccc(NC(=O)C(C#N)=Cc2cc(Br)ccc2OCc2ccccc2C#N)cc1 2294168421 KEUCNRKGEVDSLA-UHFFFAOYSA-N 486.369 6.008 50 10 JKGE Cc1cccc(C[C@H]2SC(=C(C#N)C(=O)Nc3ccccc3)N(c3ccc(F)cc3)C2=O)c1 2296834796 BWCHIACLJKCYLW-HSZRJFAPSA-N 457.530 5.199 50 10 JKGE Cc1ccc(Cl)cc1NC(=O)C(C#N)=Cc1cc(C)n(-c2sc3ccccc3c2C#N)c1C 2297534858 BUQVQMXKTZZDKT-UHFFFAOYSA-N 470.985 6.688 50 10 JKGE COC1CC(C[C@@H](Br)c2ccc(OCc3ccccc3)cc2Br)C1 2299487899 AUFSYRJXQPOLMP-GXOAENINSA-N 454.202 6.279 50 10 JKGE Brc1ccc(OCc2ccccc2)c([C@H](Br)[C@@H]2C[C@H]3CCC[C@H]32)c1 2299503951 JSNHBQNGIHLYBP-QTQZEZTPSA-N 450.214 6.900 50 10 JKGE FC(F)C1CC([C@@H](Br)c2cc(Br)ccc2OCc2ccccc2)C1 2299527630 KCDLIWHBJZMDBJ-WTNGLUPJSA-N 460.156 6.755 50 10 JKGE CC1(C)[C@@H](OCc2ccc(I)c(Br)c2)C[C@H]1Br 2306299370 PSJVWYWBOTVTRB-NEPJUHHUSA-N 473.974 5.132 50 10 JKGE C=CCc1cc(C=C(C#N)C(=O)Nc2cccc(Cl)c2Cl)cc(OCC)c1OCC(=O)O 2313571476 XGEAPKRNLGYYAE-UHFFFAOYSA-N 475.328 5.130 50 10 JKGE CCOC(=O)c1c(-c2ccccc2)csc1NC(=O)C(C#N)=Cc1ccc(OCC)c(OC)c1 2314731575 AODBJHVROKTZHJ-UHFFFAOYSA-N 476.554 5.545 50 10 JKGE CCCOc1ccc(C=C(C#N)C(=O)Nc2nc(-c3cccc(Br)c3)cs2)cc1 2314754926 IRYOMBIHWRDSQE-UHFFFAOYSA-N 468.376 5.907 50 10 JKGE COCc1ccc([C@@H](Br)c2ccc(I)c(Cl)c2)s1 2315098885 YXKIWQZRRKYDDG-ZDUSSCGKSA-N 457.558 5.637 50 10 JKGE CCOc1cc(C=C(C#N)c2nc(O)c3ccc(C(=O)OC)cc3n2)ccc1OCc1ccccc1C 2331046347 IGPDEPOUCVAFSN-UHFFFAOYSA-N 495.535 5.472 50 10 JKGE N#CC(=C(O)c1cc([N+](=O)[O-])ccc1Cl)c1nc(-c2cccc(Br)c2)cs1 2331279128 MNOXXKWKMZLDBG-UHFFFAOYSA-N 462.712 6.084 50 10 JKGE CS(=O)(=O)Nc1ccc(C(O)=C(C#N)c2nc(-c3ccc(Cl)c(Cl)c3)cs2)cc1 2331311457 JHNVGZUTVUVTAV-UHFFFAOYSA-N 466.371 5.438 50 10 JKGE CCOc1ccc(C=C(C(O)=C(C#N)c2nc(-c3ccc(F)c(C)c3)cs2)c2ccccc2)cc1 2331320451 PECJADPQGYTNEA-UHFFFAOYSA-N 482.580 7.690 50 10 JKGE CCc1cccc(CC)c1N1C[C@H](C(O)=C(C#N)c2nc(-c3ccc4c(c3)OCO4)cs2)CC1=O 2331335752 KIDHTYUXROAOBK-LJQANCHMSA-N 487.581 5.509 50 10 JKGE CCc1ccccc1OCC(O)=C(C#N)c1nc(-c2cc(Cl)c(OC)c(Cl)c2)cs1 2331398056 ZIGGHKMIUKIOQV-UHFFFAOYSA-N 461.370 6.560 50 10 JKGE COC(=O)c1ccccc1N1C[C@H](C(O)=C(C#N)c2nc(-c3ccc(Cl)s3)cs2)CC1=O 2331402098 OBIGOMSBSBMWBD-GFCCVEGCSA-N 485.974 5.157 50 10 JKGE CCOc1c(Br)cc(C=C(C#N)c2nc(-c3ccc([N+](=O)[O-])cc3)cs2)cc1OC 2331434377 TZIRDANTJPRMFW-UHFFFAOYSA-N 486.347 5.952 50 10 JKGE CCOc1cc(C=C(C#N)c2nc(-c3cc(C)ccc3OC)cs2)ccc1OCc1ccccc1C 2331449279 IIKGWBWIEZDBEM-UHFFFAOYSA-N 496.632 7.477 50 10 JKGE Cc1c(Br)sc([C@@H](Br)[C@@H]2OC[C@@H]3CCCC[C@@H]32)c1Br 2333519671 AJSJUZZJKRIBBV-FSZOTQKASA-N 473.068 6.223 50 10 JKGE COCc1ccc([C@@H](Br)c2ccc(OCc3ccccc3)cc2Br)cc1 2336040658 HRVMXDXYEFCDFA-JOCHJYFZSA-N 476.208 6.659 50 10 JKGE Cc1ccc([C@H](C)[C@@H](Br)c2ccc(OCc3ccccc3)cc2Br)cc1 2336044632 PNAOMEYQICLHCC-GAJHUEQPSA-N 474.236 7.576 50 10 JKGE Clc1cc(I)c([C@@H](Br)c2cccc3c2CCCC3)s1 2338560082 GXJWBXCSPDBANH-AWEZNQCLSA-N 467.597 6.369 50 10 JKGE Clc1ccc(CO[C@@H]2CCCCCC[C@@H]2Br)c(I)c1 2340109317 DHRRIQZZJQQRIM-DZGCQCFKSA-N 457.577 5.948 50 10 JKGE Cc1cnc(OCc2ccc(I)c(Br)c2)c(CBr)c1 2350077943 ZSBXDDRRAROKNY-UHFFFAOYSA-N 496.968 5.231 50 10 JKGE COc1ccc([C@@H](Br)[C@@H]2[C@@H]3[C@H]2CCCC3(F)F)cc1I 2359457637 UWIGWGUUGUNVNV-NZPIUUIZSA-N 457.096 5.417 50 10 JKGE COc1ccc(C[C@@H](Br)c2sc(Br)c(C)c2C)c(Br)c1 2364264404 XGNAVAFHMDDVJO-CYBMUJFWSA-N 483.063 6.577 50 10 JKGE COc1c(Br)cc(C)c([C@@H](Br)[C@]2(C)CCCOC2)c1Br 2365193459 IHBVZELHNMHNDG-HUUCEWRRSA-N 471.027 5.781 50 10 JKGE COc1ncc(Br)c(C)c1CC(CBr)(CBr)CC(C)C 2368214027 DRICRPMFXUVYTE-UHFFFAOYSA-N 472.059 5.526 50 10 JKGE BrC[C@@H]1C[C@@H]2C[C@H](C1)CN(Cc1cc(Br)ccc1Br)C2 2369249602 AZKWBXXTZFSUBK-XYYAHUGASA-N 466.055 5.455 50 10 JKGE CCOC(=O)/C(C#N)=C\c1ccc(OC(=O)C(c2ccccc2)c2ccccc2)c(OCC)c1 1911587 WCESRROSXITYJI-QJOMJCCJSA-N 455.510 5.293 50 10 JKGE Cc1cc(C)c([C@H]2[C@@H]3CCCC=C3C(C#N)=C(N)C2(C#N)C#N)cc1COc1ccccc1Cl 2727633 YCWAWUFENNXTOP-QFQXNSOFSA-N 468.988 6.129 50 10 JKGE Cc1ccc(/C=N/NC(=O)COc2ccc3cc(Br)ccc3c2Br)cc1 12491270 VNDUZDINGTYNKC-FOKLQQMPSA-N 476.168 5.202 50 10 JKGE CCCOc1ccc(Br)cc1/C=N/NC(=O)[C@H](C)Oc1ccc2ccccc2c1 20595647 QLFMFHVUFDUGBD-JZCUADNKSA-N 455.352 5.309 50 10 JKGE CC(C)(C)c1ccc(Oc2nc3ccccn3c(=O)c2/C=C(/C#N)C(=O)NC2CCCCC2)cc1 33366984 IIJSTXYGZXNMDN-ZPHPHTNESA-N 470.573 5.140 50 10 JKGE CC(C)(C)c1ccc(Oc2nc3ccccn3c(=O)c2/C=C(/C#N)S(=O)(=O)c2ccccc2)cc1 33910776 BORJKGZCUROCTF-XLNRJJMWSA-N 485.565 5.123 50 10 JKGE N#C/C(=C/c1ccc(-c2cccc(Cl)c2Cl)o1)C(=O)Nc1ccc([N+](=O)[O-])cc1Cl 33930102 BAAARGSVVBFDLW-FLIBITNWSA-N 462.676 6.361 50 10 JKGE CCCCSc1ccc(-c2nn(-c3ccccc3)cc2/C=C(\C#N)C(=O)Nc2ccc(C)cc2)cc1 35445915 FUAOOFKPQUJVMS-LYBHJNIJSA-N 492.648 7.286 50 10 JKGE Cc1ccc(N2C(=O)CS[C@H]2c2ccc(NC(=O)[C@H](Cl)c3ccccc3)cc2)cc1F 35928584 CUYHDVGWEYGQGE-VWNXMTODSA-N 454.954 5.831 50 10 JKGE COc1ccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)COc4ccc(Cl)cc4Cl)ccc32)cc1 38650299 PTPKYVZASHNZQY-XMMPIXPASA-N 497.334 5.205 50 10 JKGE C[C@H](Oc1ccccc1F)C(=O)Oc1ccc2c(c1)OC(N)=C(C#N)[C@@H]2c1cccc(Cl)c1 38651205 JYKJEKSENCERNN-LFVRLGFBSA-N 464.880 5.070 50 10 JKGE Cc1c(C(=O)Oc2ccc(F)cc2)oc2c1/C(=N/NC(=O)c1cccc3ccccc13)CCC2 40813646 CERGPXHIEGCZFT-QUPMIFSKSA-N 456.473 5.570 50 10 JKGE COc1cccc(C(=O)N/N=C2\CCCc3oc(C(=O)Oc4cc(C)ccc4C(C)C)c(C)c32)c1 40822438 TUZASZXYFSUORA-QUPMIFSKSA-N 474.557 5.718 50 10 JKGE CCCOc1ccccc1/C=C(\C#N)C(=O)Nc1nc(-c2ccc(Br)cc2)c(CC)s1 41018278 HLYQLVMCYSLQAH-NBVRZTHBSA-N 496.430 6.469 50 10 JKGE C[C@H](SCc1ccccc1)C(=O)N/N=C1/C(=O)N(Cc2c(Cl)cccc2Cl)c2ccccc21 59165192 GMSYGQOZRFEFPD-PGFMXAJZSA-N 498.435 5.682 50 10 JKGE COc1ccc(NC(=O)/C(C#N)=C\c2ccc(COc3c(Cl)cc(Cl)cc3Cl)o2)cc1 96438635 GGXGIZSSZFBPQN-JYRVWZFOSA-N 477.731 6.373 50 10 JKGE COc1cc(S(=O)(=O)Nc2cccc(C)c2)ccc1N/C=C(/C=O)c1nc2cc(Cl)ccc2o1 97402235 RERIUHYWQWVTKV-SSZFMOIBSA-N 497.960 5.251 50 10 JKGE CCCCCCOc1ccc([C@H](C(=O)NC2CCC(C)CC2)N(C(=O)CCl)C2CC2)cc1 97914768 SXDCHYGMTVSUOA-BPOAOHNVSA-N 463.062 5.612 50 10 JKGE CCCCN1C(=O)C(C#N)=C(C)/C(=C\c2cn(-c3ccccc3)nc2-c2ccc3c(c2)C[C@H](C)O3)C1=O 101333026 XUZDIASXCPZOJR-PTFSYIGCSA-N 492.579 5.255 50 10 JKGE CC1=C(C#N)C(=O)N(C(C)C)C(=O)/C1=C/c1cn(-c2ccccc2)nc1-c1c(C)cc(C)cc1C 101333736 XWOBISGMAHUGPE-ZVHZXABRSA-N 464.569 5.465 50 10 JKGE COc1ccc(-c2csc(/C(C#N)=C\Nc3ccc(C(=O)OCC(C)C)cc3)n2)cc1OC 102934541 JOYLXTGXJPDYDX-UYRXBGFRSA-N 463.559 5.617 50 10 JKGE Clc1ccc(Br)cc1[C@H](Br)Cc1ccc(Br)cc1 110296978 JUMTXYOSMVCLAX-CYBMUJFWSA-N 453.399 6.544 50 10 JKGE Fc1cccc(CC(CBr)(CBr)c2ccc(Br)cc2)c1Cl 123428839 HCZGXQKOGFKDEP-UHFFFAOYSA-N 499.443 6.512 50 10 JKGE Cc1c(Br)cccc1[C@@H](Cl)c1cc(Br)c(Br)s1 128152321 HMSHXIHJNYUFOP-LLVKDONJSA-N 459.428 6.672 50 10 JKGE O=C(NCC1(CBr)CCCCC1)c1cc(Br)ccc1Br 161232792 FRBKEFXPUNRNHY-UHFFFAOYSA-N 468.027 5.287 50 10 JKGE Cc1ccc(Br)c([C@H](Br)c2cc(Br)c(Cl)s2)c1 227849977 BBLUXLCOZGRANP-NSHDSACASA-N 459.428 6.719 50 10 JKGE Clc1cc([C@@H](Cl)c2csc3c(Br)cccc23)ccc1I 232344819 CMZZXYRYCAMRHP-CQSZACIVSA-N 498.010 7.250 50 10 JKGE COc1c(C)cc(Br)c(C)c1[C@@H](Br)c1cc(Cl)sc1Cl 235021737 HBXOZXXTONZRCF-LBPRGKRZSA-N 459.030 6.927 50 10 JKGE O=C(Nc1ccccc1C(=O)NN=Cc1cccc(Cl)c1)c1ccccc1Br 252621226 MVPBAFIIXLZWBU-UHFFFAOYSA-N 456.727 5.119 50 10 JKGE COc1ccc2ccccc2c1-c1cc(C(=O)NN=Cc2cccc(OCc3ccccc3)c2)[nH]n1 254380758 LTKYUXLBEJXAOJ-UHFFFAOYSA-N 476.536 5.581 50 10 JKGE Cc1ccc(-n2c(-c3ccccc3)cc(C=NNC(=O)c3cccc(O)c3)c2-c2ccccc2)cc1 254493672 RYOHKGXVYQZUAV-UHFFFAOYSA-N 471.560 6.589 50 10 JKGE CCOc1ccccc1OCC(=O)NN=Cc1cc(N=Nc2cccc3ccccc23)ccc1O 254547980 NKHCFMNAVFWUNH-UHFFFAOYSA-N 468.513 5.889 50 10 JKGE Cc1ccc(-c2nnc(SCC(=O)NN=C/C=C/c3ccccc3)n2C2CCCCC2)cc1 254670577 YBDPZQPPFYYLKS-QFYRLPJPSA-N 459.619 5.666 50 10 JKGE CCC(=NNC(=O)COc1ccc(C(C)(C)CC(C)(C)C)cc1)c1ccc(-c2ccccc2)cc1 254854178 VWTIKIJTPSJVHF-UHFFFAOYSA-N 470.657 7.377 50 10 JKGE O=C1OC(=O)[C@@H]2[C@H]3C[C@@H]([C@@H]4Sc5[nH]c(=S)sc5[C@H](c5ccc(-c6ccccc6)cc5)[C@@H]43)[C@H]12 256026580 PHOFNUBNOBJTPG-QEXSQPQCSA-N 477.632 5.661 50 10 JKGE CCC[C@H](CC(C)C)[C@H](Br)c1cc(Br)c(C)cc1Br 308025275 GCUREDWVQOMHGX-WBMJQRKESA-N 455.072 7.418 50 10 JKGE O=C(CCN(Cc1ccccc1)Cc1ccccc1)Nc1ccc(-c2nc(CCl)cs2)cc1 310713671 BIHWRHGSSUAUPB-UHFFFAOYSA-N 476.045 6.580 50 10 JKGE COc1cc2nc([C@@H](C)Cl)n(CCCN(Cc3ccccc3)Cc3ccccc3)c2cc1OC 390602397 WLRKOIMPUVSMKN-OAQYLSRUSA-N 478.036 6.446 50 10 JKGE C[C@H](Cl)c1nc2c(S(C)(=O)=O)cccc2n1CCCN(Cc1ccccc1)Cc1ccccc1 390609565 ZEXGSAYGFDDAMV-NRFANRHFSA-N 496.076 5.832 50 10 JKGE CC(C)(C)C[C@H](CBr)NC(=O)c1cc(Br)ccc1Br 393465008 HTTSTUJSUWUMFL-SNVBAGLBSA-N 456.016 5.141 50 10 JKGE Cc1oc(Br)cc1[C@@H](Br)c1cc(Br)sc1Br 396684291 YNEBJRBXBMVVQA-SECBINFHSA-N 493.840 6.421 50 10 JKGE Clc1ccc([C@H](Br)c2cc(Cl)c(Cl)c(Cl)c2Cl)c(Br)c1 405066940 DSQSVARNQOREAA-JTQLQIEISA-N 498.256 8.200 50 10 JKGE COC1(COc2c(Br)cc(Br)cc2CBr)CCCCC1 692479825 PUWRCODFVXWCPZ-UHFFFAOYSA-N 471.027 5.835 50 10 JKGE Cl[C@H](Cc1ccc(Br)cc1)c1scc(Br)c1Br 705505223 OGAQUPNTTIWBQI-SNVBAGLBSA-N 459.428 6.558 50 10 JKGE BrC[C@H](Cc1ccc(Br)cc1)Cc1sncc1Br 719831265 UEWCTDGTUMHJIG-SNVBAGLBSA-N 454.025 5.464 50 10 JKGE FC(F)(F)Oc1cccc([C@@H]2CN(Cc3ccccc3)C[C@H]2CI)c1 725408106 RAPYRKURLFWEHG-AEFFLSMTSA-N 461.265 5.236 50 10 JKGE O=C(CC[C@@H](O)c1ccccc1)NN=Cc1ccc(OCc2cccc(F)c2)c(Br)c1 1083944841 FYTWFBSEFABWEM-JOCHJYFZSA-N 485.353 5.131 50 10 JKGE COc1cc(C=NNC(=O)CSc2ccc(Cl)cc2)ccc1OCc1ccccc1Cl 1084496494 HGQLOIVLIDWYHM-UHFFFAOYSA-N 475.397 5.823 50 10 JKGE CCOc1cc(/C=C(/C#N)C(=O)Nc2ccccc2C)cc(Cl)c1OCc1ccc(F)cc1 1084536552 JJCGAJHMHJBIPN-NDENLUEZSA-N 464.924 6.311 50 10 JKGE COC(=O)c1ccc(-n2c(C)cc(/C=C(\C#N)C(=O)Nc3cccc(Cl)c3Cl)c2C)cc1 1084587439 NFKQJCQDXHSAGF-LDADJPATSA-N 468.340 5.733 50 10 JKGE CCOc1ccc(NC(=O)[C@@H](C)Oc2cccnc2NC(=O)Nc2ccc(SC#N)cc2)cc1 1858843510 LFDLBYUPMDUKBT-MRXNPFEDSA-N 477.546 5.103 50 10 JKGE N#CC1=C(N)Oc2c(c(-c3ccccc3)nn2-c2cccc3ccccc23)[C@H]1c1ccc(O)cc1O 1865681409 MRLDXFRDMSSVKV-VWLOTQADSA-N 472.504 5.322 50 10 JKGE N#CC1=C(N)Oc2c(c(-c3ccccc3)nn2-c2ccc(Cl)cc2)[C@@H]1c1c(F)cccc1Cl 1865682746 WVDJSSBRSJTNBA-FQEVSTJZSA-N 477.326 6.203 50 10 JKGE CCCc1nn(-c2ccc(Cl)c(Cl)c2)c2c1[C@H](c1ccc(C(C)C)cc1)C(C#N)=C(N)O2 1865685927 PGEAOCKJRMLPHS-JOCHJYFZSA-N 467.400 6.473 50 10 JKGE CCCCOc1ccc([C@H]2C(C#N)=C(N)Oc3c2c(CC)nn3-c2ccc(Cl)cc2)cc1OCC 1865686828 BXDAHYLLOVVENS-DEOSSOPVSA-N 493.007 5.884 50 10 JKGE CCCCCOc1ccc([C@@H]2C(C#N)=C(N)Oc3c2c(CC)nn3Cc2ccccc2F)cc1 1865693996 SRKSLVUHPPSFIK-XMMPIXPASA-N 460.553 5.420 50 10 JKGE CCCCCOc1ccc([C@H]2C(C#N)=C(N)Oc3c2c(CC)nn3-c2cccc(Cl)c2)cc1 1865694103 UJAVPSAHUHSKOV-QHCPKHFHSA-N 462.981 5.875 50 10 JKGE N#CC1=C(N)Oc2c(c(-c3ccccc3)nn2-c2ccc(Cl)c(Cl)c2)[C@@H]1c1cccs1 1865698524 WGTSLKYSXNZGMV-IBGZPJMESA-N 465.365 6.126 50 10 JKGE CCCc1nn(Cc2cccc(F)c2)c2c1[C@@H](c1ccc(C(F)(F)F)cc1)C(C#N)=C(N)O2 1865710618 CRFUHXFJGTUEBP-FQEVSTJZSA-N 456.443 5.260 50 10 JKGE Cc1nc(-c2ccc(F)c(F)c2)ccc1C(=O)N/N=C\c1cccc(OCc2ccccc2)c1 1865762212 TYQBHALNZDRFLX-UHBFCERESA-N 457.480 5.678 50 10 JKGE C[C@H](CC(=O)N[C@H](Cc1ccc(F)cc1)C(=O)Nc1ccc(SC#N)cc1)c1cccc(Cl)c1 1867173848 FZMNWLBUKFDWPJ-MZNJEOGPSA-N 496.007 5.912 50 10 JKGE Cc1ccc(C)c2c1C[C@H](C)CN2c1cc(Nc2ccc(SC#N)cc2)nc(-c2ccccc2)n1 1868364967 JTBNZMWSWJOGJG-IBGZPJMESA-N 477.637 7.408 50 10 JKGE O=c1c(-c2ccc(Br)cc2)coc2cc(OCc3cccc(CCl)c3)ccc12 1871437202 LWOQLIHWIODQPP-UHFFFAOYSA-N 455.735 6.540 50 10 JKGE COc1ccc(C(C)(C)C)cc1-c1csc(/C(C#N)=C(\O)CCCOc2c(C)cccc2C)n1 1872751601 OXTRCGMJTCIVRU-GYHWCHFESA-N 476.642 7.385 50 10 JKGE N#C/C(=C(/O)c1ccc2c(c1)C(=O)N(C1CCCCC1)C2=O)c1nc(-c2ccc(F)cc2)cs1 1872752333 XODVRJDDYFXGLR-LNVKXUELSA-N 473.529 5.828 50 10 JKGE CC[C@H](C)[C@H](/C(O)=C(\C#N)c1nc(-c2ccc(OC)c(F)c2)cs1)N1C(=O)c2ccccc2C1=O 1872752856 WGLNAOGSFWGGIC-ZYLPHQSXSA-N 491.544 5.461 50 10 JKGE CCOc1ccc(OCC)c(-c2csc(/C(C#N)=C(O)/C=C/c3ccc(OC)cc3OC)n2)c1 1872754845 LSJUAKIRFSXQKH-ARDXNMSASA-N 478.570 6.131 50 10 JKGE COc1ccc(-c2csc(/C(C#N)=C(\O)COc3cc(C)c(Cl)c(C)c3)n2)c2ccccc12 1872758859 UGLFVCZJFXXCOR-LNVKXUELSA-N 476.985 7.114 50 10 JKGE CCOC(=O)c1ccc(N2C[C@H](/C(O)=C(\C#N)c3nc(-c4ccc(F)cc4F)cs3)CC2=O)cc1 1872818372 ZELXVYKGRNCPRX-GUYLDNPGSA-N 495.507 5.111 50 10 JKGE Cc1c(/C(O)=C(\C#N)c2nc(-c3ccc(-c4ccccc4)cc3)cs2)cc([N+](=O)[O-])cc1[N+](=O)[O-] 1873940728 DZVVUIMGMJKOGJ-FLFQWRMESA-N 484.493 6.552 50 10 JKGE C[C@@H](Cl)c1nc2c(Br)cc(F)cc2n1C1CCN(Cc2ccccc2)CC1 1912663529 HQTPEKHKLONASQ-CQSZACIVSA-N 450.783 6.075 50 10 JKGE O=C(c1sccc1I)N(Cc1ccccc1)[C@H](CBr)C1CC1 1915315747 YEZYUCASFZXKCJ-OAHLLOKOSA-N 490.204 5.169 50 10 JKGE CC(C)(CCl)N(Cc1ccccc1)C(=O)c1cc(Br)sc1Br 1915771765 POTKMPAJFSHHDK-UHFFFAOYSA-N 465.638 5.933 50 10 JKGE Fc1cc(F)c([C@@H](Br)c2sc(Br)cc2Br)c(F)c1 1922945949 MCACWLJULFKLII-SNVBAGLBSA-N 464.926 6.175 50 10 JKGE Cc1ccc([C@H](Br)c2sc(Br)c(C)c2Br)c(F)c1 1922946682 ULNGPWRBMVTLSY-NSHDSACASA-N 457.000 6.513 50 10 JKGE CCC(F)(F)C[C@@H](Br)c1c(Br)sc(Br)c1Cl 1923041142 YXQLIMRQBACHNM-SCSAIBSYSA-N 461.391 6.798 50 10 JKGE FC1(F)CCC[C@H]1[C@H](Br)c1c(Br)sc(Br)c1Cl 1923050513 WGKQOTCDQCYMIA-NJGYIYPDSA-N 473.402 6.798 50 10 JKGE CC1(C)C[C@H]([C@@H](Br)c2c(Br)sc(Br)c2Cl)C(C)(C)O1 1923060396 CDAILBKLKAAYRK-HTRCEHHLSA-N 495.502 6.956 50 10 JKGE Fc1cccc(C[C@H](Cl)c2c(Br)sc(Br)c2Cl)c1F 1923066330 OKPLIGMCRLQFHB-LURJTMIESA-N 450.957 6.727 50 10 JKGE Clc1c(Br)sc(Br)c1[C@H](Cl)c1cc2c(s1)CCSC2 1923067031 XQXCOIZYZDNVSP-SECBINFHSA-N 479.111 7.106 50 10 JKGE Fc1cc(Cl)cc([C@H](Br)c2c(Br)sc(Br)c2Cl)c1 1923074838 SDHKRTDHLNCOQI-QMMMGPOBSA-N 497.836 7.203 50 10 JKGE COc1sc([C@H](Cl)c2scc(Br)c2Br)cc1Br 1946729994 WVGBKCUTBFJXBF-QMMMGPOBSA-N 481.456 6.434 50 10 JKGE Cl[C@H](c1c(Br)sc(Br)c1Br)[C@@H]1C[C@@]12CCOC2 1950631853 QDAHDWAUDFLWMS-HCPJGSBBSA-N 465.432 5.742 50 10 JKGE CCc1nc(C(=O)N(Cc2ccccc2)C[C@H](Br)CC)c(Br)s1 1980615319 OUODTQZUASXVFC-CYBMUJFWSA-N 460.235 5.284 50 10 JKGE C[C@@H]1CCC[C@H](OC2(CI)CCN(C(=O)OC(C)(C)C)CC2)[C@@H]1C 2022947804 NHSQCHXSDKXRRI-OAGGEKHMSA-N 451.389 5.032 50 10 JKGE Fc1cc(Cl)c([C@@H](Br)c2csc(I)c2)cc1Cl 2024603149 UNSNUAACICBXPB-NSHDSACASA-N 465.940 6.283 50 10 JKGE COc1cc(Br)c(C)cc1[C@H](Br)c1sncc1Br 2029250565 AHKXXDHRMQWWBY-NSHDSACASA-N 455.997 5.469 50 10 JKGE COc1cc(Br)c(C)cc1[C@H](Cl)c1csc(I)c1 2029250568 AHSYGMZBLLSZCK-CYBMUJFWSA-N 457.558 5.760 50 10 JKGE Cc1cc(Cl)c(Br)cc1[C@H](Cl)c1csc(Br)c1Br 2082377890 VLYYPLMIILOZNJ-NSHDSACASA-N 493.873 7.326 50 10 JKGE Cc1sc(Br)c([C@H](Br)c2c(Br)nn(C)c2C)c1C 2082886778 YQVDCHNGEWZIMT-JTQLQIEISA-N 457.029 5.416 50 10 JKGE CCOc1ccc([C@@H](Br)c2scc(C)c2Br)c(Br)c1 2100814383 HXRUPOTURINZLJ-CYBMUJFWSA-N 469.036 6.465 50 10 JKGE O=C(Nc1c(Br)cc(Cl)cc1Br)[C@@H](Br)C1CCCC1 2110724813 VBBDABHWZDLKOF-NSHDSACASA-N 474.418 5.757 50 10 JKGE Fc1c(Cl)cccc1C[C@@H](Br)c1c(Cl)sc(Br)c1Cl 2113469681 BICPYVHCOZEEMI-ZCFIWIBFSA-N 467.412 7.289 50 10 JKGE Cc1ccc([C@H](Br)c2c(C)nn(C)c2Br)c(C)c1Br 2129268537 XAMPLCJELPEMSQ-ZDUSSCGKSA-N 451.000 5.355 50 10 JKGE CC1(C)OCCC[C@]1(CBr)Cc1cccc(Br)c1Br 2130452862 RHTPBZNOKARGHM-OAHLLOKOSA-N 455.028 5.724 50 10 JKGE Cc1nc([C@@H](Br)c2c(Br)cc(F)c(Cl)c2F)c(Br)s1 2136967409 UDSQEYXFWDGOCA-ZETCQYMHSA-N 496.396 6.392 50 10 JKGE Cc1c(Br)ccc([C@H](Br)C[C@@H]2CCCC2(F)F)c1Br 2138862546 GKMFCBYYFQHGRX-JOYOIKCWSA-N 460.982 6.782 50 10 JKGE Clc1cc(CN(CCBr)C2CCCCC2)ccc1I 2142944658 UGTWTHMMKHNXEQ-UHFFFAOYSA-N 456.593 5.474 50 10 JKGE CC(C)(C)[C@@H]1CC[C@H](Br)[C@@H](Cc2ccc(Br)cc2Br)C1 2148685242 MJNJTPMWWOYLRQ-GUTXKFCHSA-N 467.083 6.980 50 10 JKGE BrCc1ccc(N2CCc3cc(Br)ccc3C2)cc1Br 2149910544 XDCZIVSDYOTMEB-UHFFFAOYSA-N 460.007 5.669 50 10 JKGE C[C@H]1CC[C@@H](CCC(CBr)(CBr)c2ccccc2Br)O1 2161113973 LUYXTFJKXAMSFA-STQMWFEESA-N 469.055 5.824 50 10 JKGE CC(C)c1nc(COc2c(Br)cc(Br)cc2CBr)cs1 2169822476 VEMNZOPFTKRGJP-UHFFFAOYSA-N 484.051 6.265 50 10 JKGE CC[C@H](Br)[C@H]1CCCCN1C(=O)c1cccc(Br)c1Br 2170605243 SYQASPCBEYPPTJ-WCQYABFASA-N 468.027 5.380 50 10 JKGE CC(C)c1ncc(COc2c(Br)cc(CBr)cc2Br)s1 2172967047 FUCFILOSEQGGOZ-UHFFFAOYSA-N 484.051 6.265 50 10 JKGE CC1(C)CCC[C@@]12[C@@H](Oc1c(Br)cccc1Br)C[C@H]2Br 2173667682 XXPHZVCSYWIKQU-DVOMOZLQSA-N 467.039 6.323 50 10 JKGE O=S(=O)(c1ccc(CCCBr)cc1)N(Cc1ccccc1)CC1CCCC1 2179862762 BBTPNFDVCLXNHG-UHFFFAOYSA-N 450.442 5.395 50 10 JKGE C[C@@](F)(CC(CBr)(CBr)c1ccccc1Br)C(F)(F)F 2191829860 NQIKHQOCMDAPDR-LLVKDONJSA-N 484.951 6.157 50 10 JKGE CCn1cc([C@H](Br)c2cc(Br)cc(C)c2OC)nc1Br 2206572331 VIARZKZNNLYYSA-GFCCVEGCSA-N 466.999 5.229 50 10 JKGE Cc1sc([C@@H](Cl)c2c(Br)sc(Br)c2Cl)cc1Br 2213746653 NAAANSYKVGZJKV-SSDOTTSWSA-N 499.902 7.387 50 10 JKGE O=C(Cc1ccc(Br)cc1Cl)N(Cc1ccccc1)C1(CBr)CCC1 2221698949 CEIJZFMWZVOONL-UHFFFAOYSA-N 485.647 5.991 50 10 JKGE C[C@H](C[C@H](Br)c1c(Br)cc(Cl)c(Cl)c1Cl)C(F)(F)F 2224317973 SKCYDOOYCIZVFJ-UHNVWZDZSA-N 463.346 7.434 50 10 JKGE CC[C@@H](C[C@@H](Br)c1cc(Br)c(Br)cc1F)C(C)(C)C 2225615915 AZMMKCVXDGGVOT-GXSJLCMTSA-N 459.035 7.249 50 10 JKGE Cc1cc([C@@H](Cl)c2c(Br)cc(C)c(Br)c2C)c(Br)s1 2227349363 RJSSHOYALOSKAE-CYBMUJFWSA-N 487.482 7.289 50 10 JKGE COc1ccc([C@@H](Br)c2c(Cl)sc(Cl)c2Cl)c(Br)c1 2232076996 OLPXUQMIHYKWQA-SECBINFHSA-N 465.421 6.964 50 10 JKGE CC1(C)CCC[C@H]([C@H](Br)c2cc(Br)c(Br)cc2F)CC1 2233974970 HSPMQXLSBAHQJJ-BONVTDFDSA-N 471.046 7.393 50 10 JKGE Fc1cc(Br)c(Br)cc1[C@@H](Br)c1ccc2sccc2c1 2233992168 LKISNXLUAKRYHW-HNNXBMFYSA-N 479.006 7.050 50 10 JKGE Cc1cc(Br)c([C@H](Br)C23CCOC(C)(C2)C3)c(C)c1Br 2235602620 ZXOQWASAXKDWEB-FHERZECASA-N 467.039 6.224 50 10 JKGE COc1cc(Br)c([C@@H](Br)c2ccc(Cl)c(Br)c2)cc1C 2236006021 AHJXVXSIPAJTNI-HNNXBMFYSA-N 483.425 6.666 50 10 JKGE CCCCCCCCCCCO[C@@](C)(CI)CN(CC)C(=O)OC(C)(C)C 2239497579 BENLURSNQCVWJA-QFIPXVFZSA-N 497.502 6.985 50 10 JKGE Cl[C@H](c1c(Br)sc(Br)c1Br)C12COCC(C1)C2 2250925958 JPJRMVQYQHIYHS-GBZMYTLWSA-N 465.432 5.742 50 10 JKGE Cc1sc([C@H](Br)c2cccc(Br)c2C)c(Br)c1C 2253473605 SUTNNQYRZVIOHB-CYBMUJFWSA-N 453.037 6.683 50 10 JKGE Brc1cc([C@H](Br)C[C@H]2CCCCC23CC3)c(Br)s1 2253876370 WNSDRJUOGVNTBK-MWLCHTKSSA-N 457.069 7.070 50 10 JKGE Clc1cc(I)c(OCCCCI)c2ncccc12 2256322761 HEQNHGVGNJTWOW-UHFFFAOYSA-N 487.506 5.087 50 10 JKGE Cc1cc(F)c(Br)cc1[C@@H](Br)c1cc(Br)sc1C 2258090668 KDEGAWVVUHOBLT-CYBMUJFWSA-N 457.000 6.513 50 10 JKGE COc1cc(OC)c([C@H](Br)c2sccc2I)cc1Cl 2264463239 MXUVLWYOXWVXKF-LBPRGKRZSA-N 473.557 5.508 50 10 JKGE Cc1c(Br)ccc([C@H](Br)C2CC3(CC(F)C3)C2)c1Br 2272238592 NTJUTWIJJHCCQS-GPNNKKOCSA-N 455.003 6.484 50 10 JKGE Fc1cc(Br)c(F)c(Br)c1[C@H](Br)[C@@H]1C[C@H]1C(F)(F)F 2272842519 PVAGFBCLGDBQSP-TTWOZLTLSA-N 472.871 6.124 50 10 JKGE Clc1cc(Cl)cc([C@@H](Br)Cc2cc(Br)cc(Br)c2)c1 2277964766 HGNBYWLUFPRREN-AWEZNQCLSA-N 487.844 7.197 50 10 JKGE Brc1cc2sc([C@H](Br)Cc3ccccc3Br)cc2s1 2278021716 BMJONZGJTQLCMI-SNVBAGLBSA-N 481.072 7.167 50 10 JKGE Cc1cc(Br)c([C@H](Cl)Cc2ccccc2I)c(C)c1F 2279158272 SNZHVCPKVATCTR-CYBMUJFWSA-N 467.547 6.332 50 10 JKGE Cc1cc(Br)c(C)c([C@H](Br)C[C@H]2CCCC23CC3)c1Br 2281374212 ZHNRFWLOBXPCOI-TZMCWYRMSA-N 465.067 7.235 50 10 JKGE COc1c([C@@H](Br)c2cocc2Br)cc(Br)c2c1CCC2 2285987808 OKSDDNIPJUBODF-CQSZACIVSA-N 464.979 5.786 50 10 JKGE CC(C)(C)OC1CC([C@H](Br)Cc2cc(Br)cc(Br)c2)C1 2295344971 GNEOWDNTVDNCRF-WDIPEOLASA-N 469.055 6.111 50 10 JKGE COc1cc(Cl)ccc1[C@H](Br)Cc1cc(Br)cc(Br)c1 2295345845 RJHBFMQCSHBBEE-CQSZACIVSA-N 483.425 6.552 50 10 JKGE CCOc1cccc(-c2nn(-c3ccccc3)cc2C=C(C#N)c2nc(O)c3ccccc3n2)c1 2296546125 OPWCBPRBQQHSFY-UHFFFAOYSA-N 459.509 5.651 50 10 JKGE Fc1cc(Cl)c(Br)c(Cl)c1[C@@H](Br)[C@H]1C[C@H](Br)C1 2298983867 DZRFULFTIGVGDP-PJPYAQQDSA-N 469.801 6.505 50 10 JKGE Cl[C@@H](c1cccc(OCc2ccccc2)c1)c1cc(Br)ccc1OCc1ccccc1 2299501168 LLGUIACAPYUMOD-MHZLTWQESA-N 493.828 7.935 50 10 JKGE Cn1ncc(Cl)c1[C@H](Br)c1cc(Br)ccc1OCc1ccccc1 2299528470 RVVPHWULNGUJHO-QGZVFWFLSA-N 470.592 5.899 50 10 JKGE FC(F)(F)[C@@H]1C[C@@H]1C[C@H](Br)c1sc(Cl)cc1I 2301082018 VMXWZIVCNICDTP-PBXRRBTRSA-N 459.496 6.031 50 10 JKGE COc1cc(C=C(C#N)C(=O)Nc2cccc([N+](=O)[O-])c2)ccc1OCc1ccccc1Cl 2313676886 UGFGUHVRXUYDCL-UHFFFAOYSA-N 463.877 5.381 50 10 JKGE Brc1cc(OCc2ccccc2)ccc1[C@H](Br)[C@H]1CC12CCOCC2 2314503969 XYDVDTGJJBONKH-QUCCMNQESA-N 466.213 6.281 50 10 JKGE CCc1ccc(Oc2nc3c(C)cccn3c(=O)c2C=C(C#N)C(=O)Nc2ccccc2Cl)cc1 2314534030 WJGPHNRBMKHGLG-UHFFFAOYSA-N 484.943 5.557 50 10 JKGE CCc1ccc(N2C(=O)[C@H](Cc3ccc(C(C)C)cc3)SC2=C(C#N)C(=O)NCc2ccco2)cc1 2314593375 MAQXPMXZZCDKHE-SANMLTNESA-N 499.636 5.708 50 10 JKGE CCCCCCCOc1ccc(C=C2C(=O)N(C3CCCCC3)C(=O)C(C#N)=C2C)cc1OCC 2314616711 HZGFELRRKPHALZ-UHFFFAOYSA-N 478.633 6.359 50 10 JKGE Clc1cc(I)c([C@@H](Br)c2scc3c2CCCC3)s1 2316597456 RVRRZHVBIOSATR-NSHDSACASA-N 473.626 6.431 50 10 JKGE Cc1c(F)ccc([C@@H](Br)c2sc(Br)cc2Br)c1Cl 2316605451 HVEOHGPITYEVBB-SNVBAGLBSA-N 477.418 6.858 50 10 JKGE Clc1cc(I)c([C@H](Br)c2ccc3c(c2)CCO3)s1 2316658291 HQFZOBWOEBJPOU-GFCCVEGCSA-N 455.542 5.425 50 10 JKGE CCc1cc(C)sc1[C@H](Br)c1c(Br)c(Br)nn1C 2316833142 WEYVWOZHTURYTC-MRVPVSSYSA-N 457.029 5.362 50 10 JKGE N#CC(=Cc1ccc(OC(=O)C=Cc2ccc(OCc3ccccc3)cc2)cc1)c1ccccc1F 2320506712 PWZLEZYDVIIRDK-UHFFFAOYSA-N 475.519 7.088 50 10 JKGE COc1ccc(-c2ccc(C(=O)NN=C(C)c3ccc(-c4ccccc4)cc3)c(C)n2)cc1OC 2321281030 ITLYXGDVWAMNKO-UHFFFAOYSA-N 465.553 5.895 50 10 JKGE CCCOc1c(Cl)cc(C=NNC(=O)c2nn(-c3ccccc3)c3c2CCC3)cc1Cl 2323759645 XSAPSEKHEFPUGY-UHFFFAOYSA-N 457.361 5.221 50 10 JKGE N#CC(=Cc1cccc(Br)c1)C(=O)Nc1cc(C(F)(F)F)ccc1N1CCCCC1 2329697218 VGKXZSWGBFQAHS-UHFFFAOYSA-N 478.312 6.004 50 10 JKGE COc1ccc(-c2csc(C(C#N)=C(O)[C@@H](C)Oc3ccc(Cl)cc3Cl)n2)c(C)c1C 2331362759 LKTOKRYEYTWWBC-CQSZACIVSA-N 475.397 7.003 50 10 JKGE COc1ccc(-c2csc(C(C#N)=C(O)[C@H]3CC(=O)N([C@@H](C)c4ccccc4)C3)n2)c(OC)c1 2331385484 HQBYIROUSBKQDD-WMZOPIPTSA-N 475.570 5.230 50 10 JKGE COc1ccc(C=CC(O)=C(C#N)c2nc(-c3cc(C(C)(C)C)ccc3C)cs2)cc1OC 2331396289 IGAKHZBMPJCJKU-UHFFFAOYSA-N 460.599 6.939 50 10 JKGE COc1cc(C)c(-c2csc(C(C#N)=C(O)CCc3nc4ccccc4[nH]c3=O)n2)cc1C 2331403076 ZXVBDLLBPRNVSR-UHFFFAOYSA-N 458.543 5.098 50 10 JKGE CCOC(=O)Oc1ccc(C(O)=C(C#N)c2nc(-c3ccc(OC)c4ccccc34)cs2)cc1 2331405034 HKCXYBVMOLKNOS-UHFFFAOYSA-N 472.522 6.457 50 10 JKGE COc1ccc(Cl)cc1-c1csc(C(C#N)=C(O)c2ccc(N(C)C)c([N+](=O)[O-])c2)n1 2331411121 QLZHUNOYNHIDTK-UHFFFAOYSA-N 456.911 5.396 50 10 JKGE CCCCOc1ccc(C=C(C#N)c2nc(-c3cccc4ccccc34)cs2)cc1OCC 2331456523 YJRBOIUSVRYSFE-UHFFFAOYSA-N 454.595 7.605 50 10 JKGE CCCCCCCOc1ccc(-c2csc(C(C#N)=Cc3cc(OC)ccc3OC)n2)cc1 2331459735 QFXILWDEEPGMJZ-UHFFFAOYSA-N 462.615 7.241 50 10 JKGE FC(F)(F)c1ccc([C@H](Cl)c2cc(Br)ccc2OCc2ccccc2)s1 2336045244 VDSQEJTXUMTGLQ-GOSISDBHSA-N 461.730 7.437 50 10 JKGE Cc1cc(Br)c(F)c(Br)c1[C@@H](Br)C(C)(C)CC(F)F 2339657162 VMZXHBBEPDLFHI-GFCCVEGCSA-N 466.961 6.777 50 10 JKGE COc1c(Br)cc(C)c([C@H](Br)[C@@]2(C)CC2(F)F)c1Br 2339689627 DWJCCERVYRKVBO-NWDGAFQWSA-N 462.954 6.010 50 10 JKGE COc1cccc(C[C@@H](Br)c2ccc(Cl)cc2I)c1 2340056812 GNGFTUQMUNWCAQ-CQSZACIVSA-N 451.529 5.632 50 10 JKGE CC(C)c1cccc([C@H](Br)c2ccc(OCc3ccccc3)cc2Br)c1 2343663259 UHLDBUBWQGVLQS-QHCPKHFHSA-N 474.236 7.636 50 10 JKGE BrC[C@@H](Cc1ccccc1)Cc1ccc(I)c(Br)c1 2349857808 XNMWTPQAWORILF-AWEZNQCLSA-N 494.008 5.850 50 10 JKGE Brc1cc(OCc2ccccc2)ccc1[C@H](Br)[C@H]1CCCc2ccccc21 2361195738 RIULRPQZVQMHON-XUZZJYLKSA-N 486.247 7.584 50 10 JKGE COC1(C(F)(F)F)CC([C@H](Cl)c2cc(Br)ccc2OCc2ccccc2)C1 2361210155 RABGAFOJZTVLHX-WHDUELSGSA-N 463.721 6.666 50 10 JKGE Fc1c(Br)cc(Cl)c([C@@H](Br)CC(C2CC2)C2CC2)c1Br 2362221670 DOLOSTCTOCXPEL-JTQLQIEISA-N 489.448 7.266 50 10 JKGE Clc1ccc(CN2CCC[C@@]3(CBr)CCC[C@H]23)cc1I 2362379051 KZVGJIKHRIATNW-JKSUJKDBSA-N 468.604 5.474 50 10 JKGE Cc1cc(Br)c(F)c(Br)c1[C@H](Br)[C@@H]1OC[C@@H]2CCC[C@H]21 2365228871 UEYNMDHJABZEOM-NYEYQKPUSA-N 471.002 5.910 50 10 JKGE COc1c(Br)cc(C)c([C@H](Br)[C@H]2CCCC[C@@H]2C)c1Br 2365236304 OCFLADQABZSTLZ-NURSFMCSSA-N 469.055 6.791 50 10 JKGE CC(C)(C)[C@@H]1CC[C@@H]1CO[C@@H](CI)c1ccccc1Br 2369178936 VEDUBVLUOZHXRM-XPKDYRNWSA-N 451.186 6.014 50 10 JKGE FC(F)(F)[C@@H]1[C@H](Br)CCCN1Cc1ccc(Br)cc1Br 2370303597 NYFQTKOQDRTXSR-PWSUYJOCSA-N 479.960 5.502 50 10 JKGE CC[C@@H](C)c1ccc(OCC(=O)NNC(=O)COc2ccc(C(C)(C)C)cc2C(C)(C)C)cc1 14661763 WNRGOLINQMMLQQ-LJQANCHMSA-N 468.638 5.400 50 10 JKGE N#C/C(=C/c1ccc(-c2cccc(C(F)(F)F)c2)o1)C(=O)Nc1sc2c(c1C#N)CCCC2 33647211 BIDVBTGTSAVSBJ-PTNGSMBKSA-N 467.472 6.323 50 10 JKGE Cc1ccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)COc4ccc(Cl)cc4Cl)ccc32)o1 38659142 HUFQNVNIVNQZRU-QFIPXVFZSA-N 471.296 5.097 50 10 JKGE COc1cc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4ccccc4C)ccc32)ccc1OCCC(C)C 38660329 NJOCKCGRRYQSKH-NDEPHWFRSA-N 498.579 5.866 50 10 JKGE CCCCCCOc1ccc(/C=C(\C#N)C(=O)Nc2ccc(C(=O)OCCC)cc2)cc1OC 40853601 IVBOPHUXJLBQLI-OQKWZONESA-N 464.562 5.767 50 10 JKGE O=C(CSc1nc(-c2ccccc2)cs1)N/N=C/c1cccc(OCc2ccccc2Cl)c1 40924548 JTRKLINZIXJHOF-MZJWZYIUSA-N 494.041 6.285 50 10 JKGE N#C/C(=C\c1cccc(OCc2cccc(C(F)(F)F)c2)c1)C(=O)Nc1ccc2c(c1)OCO2 58976415 MHZGRFOZWQFNLE-GIJQJNRQSA-N 466.415 5.559 50 10 JKGE C=CCn1c(CNc2ccc(Cl)cc2)nnc1S[C@H](C)C(=O)N/N=C(\C)c1ccc(C)cc1 59475350 DQJJWAKKIQNSKH-OVKKOYPGSA-N 483.041 5.059 50 10 JKGE COc1cc(/C=C(/C#N)c2ccc([N+](=O)[O-])cc2)cc(Cl)c1OS(=O)(=O)c1ccc(C)cc1 59536673 HWEKRNLKEFESDF-WQRHYEAKSA-N 484.917 5.397 50 10 JKGE CCCCC1CCC(C(=O)N2CCCc3cc(C[C@H](Br)CC(C)C)ccc32)CC1 71436805 KVMWOZWZEQDHKE-LLAFXHEGSA-N 462.516 7.315 50 10 JKGE CCCCCCCOc1ccc(/C=C2/C(=O)N(C[C@H]3CCCO3)C(=O)C(C#N)=C2C)cc1OCC 101337264 HOCDEKNQOQDFNV-PXJFTPKESA-N 480.605 5.206 50 10 JKGE Clc1ccc(Br)cc1[C@H](Cl)c1cc(Br)ccc1Br 104031389 PWSFBWHJVCPUCZ-CYBMUJFWSA-N 473.817 6.956 50 10 JKGE CCOc1ccccc1N/C(SCc1cccc(F)c1)=C(\C#N)C(=O)NCc1ccccc1 105423159 AZXZLNSKGILNHD-ROMGYVFFSA-N 461.562 5.621 50 10 JKGE COc1ccc(/C=C(\C#N)c2ccc(/C(C#N)=C\c3ccc(OC)cc3OC)cc2)c(OC)c1 108578656 OZEUUMNXWGGPSJ-NQGGHMMCSA-N 452.510 5.849 50 10 JKGE COc1cc(C)c(Br)cc1[C@@H](Cl)c1ccc(I)cc1 115070042 HDLGZEIWBIAERG-HNNXBMFYSA-N 451.529 5.699 50 10 JKGE COc1ccc(OC)c([C@H](Br)c2cc(Br)c(Br)s2)c1 128274557 WZXQCKVRCMPQJE-LBPRGKRZSA-N 471.008 5.775 50 10 JKGE Fc1ccc([C@@H](Br)c2cc(Br)c(Br)s2)c(Cl)c1 128283703 BMWXESJIZQIAEK-SNVBAGLBSA-N 463.391 6.550 50 10 JKGE Cc1cc(Br)c([C@H](Br)c2cc(Cl)ccc2F)cc1Br 128823690 DJQJJYAYFMYYEQ-AWEZNQCLSA-N 471.389 6.797 50 10 JKGE CC[C@H](Cl)c1cn(-c2c(Br)cc(Br)cc2Br)nn1 163052550 OMYOVNFXPKEPAE-VIFPVBQESA-N 458.379 5.245 50 10 JKGE CCCOc1ccc(-c2nn(-c3ccccc3)cc2/C=C2\C(=O)N(C(C)C)C(=O)C(C#N)=C2C)cc1F 214248480 NZZIOWKDEDBAHK-UCQKPKSFSA-N 498.558 5.468 50 10 JKGE CCOc1ccc([C@H](Br)c2ccc(OC)c(Br)c2)cc1Br 228996524 NHTLMBDSZMPBKX-MRXNPFEDSA-N 479.006 6.103 50 10 JKGE O=C(Nc1ccc(CCBr)cc1)c1cc(Br)cc(Br)c1 232464513 XPLKLWLVJKTZKT-UHFFFAOYSA-N 461.979 5.401 50 10 JKGE N#C/C(=C(/Cl)c1cc(I)ccc1Br)c1cccs1 236047513 GGMZSERRPHXUJS-RAXLEYEMSA-N 450.526 5.746 50 10 JKGE O=C(NN=Cc1cccc(C(F)(F)F)c1)c1cc(-c2ccc(-c3ccccc3)cc2)nc2ccccc12 254496566 BEPPJHZELKGLQE-UHFFFAOYSA-N 495.504 7.352 50 10 JKGE O=C(Cn1c2ccccc2c(=O)c2ccccc21)NN=Cc1ccc(OCc2ccc(Cl)cc2)cc1 254632904 YPFCARSKMKMYAN-UHFFFAOYSA-N 495.966 5.537 50 10 JKGE C[C@H]1CN(Cc2ccccc2)CCCN1c1ccc(CBr)cc1Br 382665710 YHOGJIIFBPJUKS-INIZCTEOSA-N 452.234 5.445 50 10 JKGE Brc1cc([C@@H](Br)c2cccc3ccsc23)c(Br)s1 386487149 XWQGQPUPMGSUGN-NSHDSACASA-N 467.045 6.972 50 10 JKGE O=P(c1ccccc1)(c1ccccc1)c1cc2nc(-c3ccccc3)n3c4ccccc4oc(c1)c23 642813771 VLNVPLLUWOSDFA-UHFFFAOYSA-N 484.495 6.540 50 10 JKGE BrCC(CBr)(Cc1ccc(Br)cc1)C1CCOCC1 688456932 XWURDSYLRZWBIE-UHFFFAOYSA-N 455.028 5.194 50 10 JKGE O=C(c1scc(Br)c1Br)N1CCCCC[C@@H]1CBr 705408461 IBAGPNDQGWSFMD-MRVPVSSYSA-N 460.029 5.053 50 10 JKGE C[C@@H](Cl)c1nc2cc(I)ccc2n1C[C@@H]1CCN1Cc1ccccc1 716235900 DXRMYDAZEAFIIA-PBHICJAKSA-N 465.766 5.215 50 10 JKGE O=C(NCC1CCCCC1)[C@H](c1cccs1)N(C(=O)CCl)c1cccc(C(F)(F)F)c1 725238171 QMTWCIVKAIQZBJ-FQEVSTJZSA-N 472.960 5.777 50 10 JKGE FC(F)(F)Sc1c(I)cc2ccsc2c1CBr 725283631 HIHPNBFIAHFRJN-UHFFFAOYSA-N 453.086 6.013 50 10 JKGE COc1cc(C=NNC(=O)C(c2ccccc2)c2ccccc2)ccc1OCc1ccccc1 1083898210 DDHKMHKOVYTSOW-UHFFFAOYSA-N 450.538 5.556 50 10 JKGE C=CCc1cc(/C=C(\C#N)C(=O)Nc2ccc(C)cc2)cc(OC)c1OCc1ccc2ccccc2c1 1084041449 UPGPSBAYTYBVJM-MTDXEUNCSA-N 488.587 7.010 50 10 JKGE CCn1c2ccccc2c2cc(C=NNC(=O)COc3ccc(Cl)cc3Br)ccc21 1084237804 VGEPAXYFSLWTSL-UHFFFAOYSA-N 484.781 5.759 50 10 JKGE COc1cc(C=NNC(=O)CSc2ccc(Cl)cc2)ccc1OCc1ccc(Cl)cc1 1084354765 MTILMUAEKIOLCW-UHFFFAOYSA-N 475.397 5.823 50 10 JKGE Cc1ccc(C(=O)NN=C2CCCc3oc(C(=O)Oc4ccc5ccccc5c4)c(C)c32)cc1 1772744894 NEJVZZWMEHBXKM-UHFFFAOYSA-N 452.510 5.739 50 10 JKGE CC(C)(C)c1ccc([C@H]2C(C#N)=C(N)Oc3c2c(-c2ccccc2)nn3Cc2ccccc2Cl)cc1 1865681983 CLHDIEQNTIVZNO-VWLOTQADSA-N 495.026 6.767 50 10 JKGE CCCOc1ccc([C@H]2C(C#N)=C(N)Oc3c2c(C(F)(F)F)nn3Cc2ccc(F)cc2)cc1 1865694177 QZYMTSBUQQAVLW-IBGZPJMESA-N 472.442 5.096 50 10 JKGE CCCOc1cccc([C@@H]2C(C#N)=C(N)Oc3c2c(CCC)nn3-c2ccc(Cl)c(Cl)c2)c1 1865694724 ZZLJMIWFFXJUHD-JOCHJYFZSA-N 483.399 6.139 50 10 JKGE Cc1nn(-c2ccccn2)c2c1[C@@H](c1ccc(OCc3ccccc3Cl)cc1)C(C#N)=C(N)O2 1865704506 XPNSQWXVOVBNLZ-DEOSSOPVSA-N 469.932 5.026 50 10 JKGE COc1cc([C@H]2C(C#N)=C(N)Oc3c2c(-c2ccccc2)nn3-c2ccccc2)cc(Cl)c1O 1865706596 AEVAWECBZQMOTP-NRFANRHFSA-N 470.916 5.125 50 10 JKGE COc1ccc(-c2ccc(C(=O)NNC(=O)/C=C/c3cccc(OCc4ccccc4)c3)c(C)n2)cc1 1865757306 WQGFCGVLIOONKP-WOJGMQOQSA-N 493.563 5.119 50 10 JKGE CC(C)[C@@H](C(=O)N[C@@H](C(=O)Nc1ccc(SC#N)cc1)c1ccccc1)c1ccc(F)cc1 1866970690 DAOVFMVYPMHURT-DNQXCXABSA-N 461.562 5.635 50 10 JKGE CC(C)(C)c1nc(Nc2ccc(SC#N)cc2)cc(N2CCN3CCc4c(F)cccc4[C@H]3C2)n1 1868342026 IDEHFSYIYURXCX-HSZRJFAPSA-N 488.636 5.649 50 10 JKGE Cc1ccc(C)c2c1C[C@@H](C)CN2c1cc(Nc2ccc(SC#N)cc2)nc(C(C)(C)C)n1 1868342370 UCTOVGBHSRJWHA-QGZVFWFLSA-N 457.647 7.038 50 10 JKGE Cc1ccc2c(c1)nc(/C(C#N)=C/c1ccc(-n3nc(-c4ccccc4)cc3-c3ccccc3)cc1)n2C 1872728206 RQNDWKQEGRWANG-NHFJDJAPSA-N 491.598 7.466 50 10 JKGE C[C@@H](/C(O)=C(\C#N)c1nc(-c2ccc(C(C)(C)C)cc2)cs1)N1C(=O)c2ccccc2C1=O 1872750716 KEOMOHILMVPHOL-FOVZNYCQSA-N 457.555 5.585 50 10 JKGE COc1cc(Cl)c(C)cc1-c1csc(/C(C#N)=C(\O)c2cc([N+](=O)[O-])cc([N+](=O)[O-])c2)n1 1872756887 GHOZDFRLBKLXTO-CYVLTUHYSA-N 472.866 5.547 50 10 JKGE COc1ccc(-c2csc(/C(C#N)=C(\O)c3ccc4c(c3)C(=O)N(CC(C)C)C4=O)n2)cc1Cl 1872757631 OOEVLOBNZPZRFP-PYCFMQQDSA-N 493.972 5.674 50 10 JKGE CCOc1cc(/C=C(\C#N)c2nc(-c3ccc(OC)cc3)cs2)ccc1OCc1ccccc1 1872781119 VJEGNPXYUWCLKR-HZHRSRAPSA-N 468.578 6.861 50 10 JKGE CCCCCCOc1ccc(/C=C(\C#N)c2nc(-c3ccc(OC)c(Cl)c3)cs2)cc1OC 1872794839 ZEMMSMHUQAUZQH-DEDYPNTBSA-N 483.033 7.504 50 10 JKGE COc1cc(C)c([C@H](Br)c2cc(Br)sc2C)cc1Br 1901560166 VVVAEPOLFMFCLT-AWEZNQCLSA-N 469.036 6.383 50 10 JKGE Cc1c(Br)sc([C@H](Br)c2ccc(Cl)s2)c1Br 1922935275 OCXMFOOPBNZSRD-MRVPVSSYSA-N 465.457 6.781 50 10 JKGE Clc1c(Br)sc(Br)c1[C@H](Br)C[C@@H]1C[C@H]2CC[C@H]1C2 1923037945 HBJPYQBHOFJEBI-XSPKLOCKSA-N 477.487 7.189 50 10 JKGE Cl[C@H](c1c(Br)sc(Br)c1Br)C1CC(C2CC2)C1 1924613581 JZGBJKPLYUZTTF-QIMWKCOFSA-N 463.460 6.752 50 10 JKGE Cc1ccc(Cl)c([C@H](Br)c2cc(Br)c(C)cc2Br)c1 1925533073 AUNDHVVKNAQRCJ-OAHLLOKOSA-N 467.426 6.966 50 10 JKGE C[C@H](CCBr)N(Cc1ccccc1)Cc1ccc(Cl)c(Br)c1F 1979518597 WQIKNMZAKMEGLL-CYBMUJFWSA-N 463.616 6.417 50 10 JKGE CC(C)(C)OC(=O)NC[C@@](C)(CI)OCc1cc(Cl)cc(Cl)c1 1992071457 PHOHDIJGHICWLX-MRXNPFEDSA-N 474.166 5.228 50 10 JKGE CN(Cc1ccccc1)[C@@H]1CCCN(c2c(CBr)ccc(Br)c2Cl)C1 2050043379 ULLFSBPPYCTZJQ-QGZVFWFLSA-N 486.679 6.098 50 10 JKGE Cc1nn(C)c([C@H](Cl)c2cc(Br)ccc2Br)c1Br 2072298288 JYTJOTPSYUEYHX-LLVKDONJSA-N 457.391 5.344 50 10 JKGE Cc1cc(Br)c(C)c([C@H](Cl)c2ccoc2Br)c1Br 2081063246 YTUVWKOBJYRWGQ-GFCCVEGCSA-N 457.387 6.512 50 10 JKGE CCOc1ccc([C@H](Br)c2cc(Br)cc(Br)c2)s1 2086381252 LYVYNKAOJPOXLV-CYBMUJFWSA-N 455.009 6.156 50 10 JKGE Fc1cc(F)c([C@@H](Br)c2cccc(Br)c2Br)c(F)c1 2092329645 YURZQGKGXFLQHY-ZDUSSCGKSA-N 458.897 6.113 50 10 JKGE O=C(NC[C@H]1CCC[C@@H](CBr)C1)c1csc(Br)c1Br 2093946563 CTSZTIRSBBEFKY-BDAKNGLRSA-N 474.056 5.204 50 10 JKGE Brc1ccc(C[C@@H](Br)c2cc(C3CC3)c(Br)s2)cc1 2094672549 ACEPSCONXSGNFE-CYBMUJFWSA-N 465.048 6.829 50 10 JKGE Clc1cc([C@@H](Br)c2cc(I)cc3c2OCC3)sc1Cl 2099841495 WNUIEVYWNFDWPL-NSHDSACASA-N 489.987 6.079 50 10 JKGE CC(C)(C)C[C@H](CBr)CNC(=O)c1cc(Br)sc1Br 2100106016 HRKNBRLJWCHAGU-MRVPVSSYSA-N 476.072 5.450 50 10 JKGE CC(C)(C)OC(=O)NCCCC[S@](C)(=O)=NCCCCCCCCCBr 2110300397 AQJVNWRNAGVVTP-SANMLTNESA-N 455.503 5.515 50 10 JKGE COc1ccc(C[C@H](Br)c2cc(Br)c(Br)s2)cc1F 2112117949 UQBFGIKQIAQFOZ-QMMMGPOBSA-N 472.999 6.100 50 10 JKGE Fc1ccccc1[C@@H](Br)CCc1cc(Br)ccc1Br 2118532113 MITUSYNMIBIDOE-AWEZNQCLSA-N 450.971 6.420 50 10 JKGE Cc1oc(CBr)cc1S(=O)(=O)N(Cc1ccccc1)[C@H](C)c1cccs1 2123235031 UURWLMCFBOWDPG-CQSZACIVSA-N 454.411 5.497 50 10 JKGE COCc1ccccc1[C@@H](Br)c1c(Br)sc(Br)c1Cl 2134735117 BQDQHDAXQVPSBV-SNVBAGLBSA-N 489.454 6.557 50 10 JKGE Cc1c(Br)ccc([C@@H](Br)C[C@H]2C[C@H]3CC[C@H]2C3)c1Br 2138876659 RSRARIOSIWXHMC-OHTBPHCPSA-N 451.040 6.782 50 10 JKGE Cc1ccc([C@H](Br)c2ccc(Br)c(C)c2Br)c(F)c1 2138877320 ZCPLHNWAYIOWQY-HNNXBMFYSA-N 450.971 6.452 50 10 JKGE CC1(C)CCC[C@](CBr)(Cc2cc(Cl)ccc2I)CC1 2157069030 MUOKKYFBIAJBKQ-QGZVFWFLSA-N 469.632 6.859 50 10 JKGE CC(C)(C)OC(=O)NC[C@H]1C[C@@H](C(F)(F)F)CCN1CC1(CBr)CCCC1 2163837154 PWNRSJGOTNFMMZ-LSDHHAIUSA-N 457.375 5.109 50 10 JKGE Brc1ccc(Br)c([C@H](Br)[C@@H]2C[C@@H]3CCCCCC[C@H]32)c1 2166130422 UFMIVIZERMUWME-ZCTGUTNYSA-N 465.067 7.254 50 10 JKGE Fc1cc(Br)c([C@@H](Br)CC(F)(F)C(F)(F)F)c(F)c1Cl 2201611628 ROTZBJXUWLRIFI-BYPYZUCNSA-N 452.389 6.404 50 10 JKGE Fc1cc(Br)c([C@@H](Br)c2ccc(Cl)cc2Cl)c(F)c1Cl 2201617001 CNFFYYXHZKZFRJ-NSHDSACASA-N 465.346 7.172 50 10 JKGE Cc1c(Br)ccc([C@@H](Br)C(C)(C)C2CCCCC2)c1Br 2203690933 GTHUAZOJCVKSFJ-MRXNPFEDSA-N 467.083 7.563 50 10 JKGE Clc1cc(Br)c([C@H](Cl)c2csnc2Br)c(Cl)c1Cl 2217606234 NLGWZPPNCNMGFT-SSDOTTSWSA-N 470.828 6.957 50 10 JKGE ClCc1nc2cc(Br)c(Cl)cc2n1C[C@H]1CC1(Br)Br 2224800440 HPGPWTBEWOUVPK-ZCFIWIBFSA-N 491.836 5.697 50 10 JKGE ClCc1nc2cc(Br)c(Br)cc2n1C1CC(COCc2ccccc2)C1 2225693325 IECTXJJFPKRANW-UHFFFAOYSA-N 498.646 6.468 50 10 JKGE Cc1cc(Br)c([C@@H](Br)C23CC(C2)[C@@H](C)O3)c(C)c1Br 2227360238 QJOXMKPZLJWIRN-OHGIUVIRSA-N 453.012 5.832 50 10 JKGE Fc1cc(Br)c(Br)cc1[C@H](Br)c1scc2c1CCCC2 2233975599 KNOUUQJVIFNRIA-AWEZNQCLSA-N 483.038 6.775 50 10 JKGE Cc1sc([C@@H](Cl)c2c(Br)cc(F)c(Cl)c2F)c(Br)c1C 2237632498 YKPAMAFCOKVREH-NSHDSACASA-N 464.984 7.150 50 10 JKGE O=C(c1ccc(Cl)c(I)c1)N(Cc1ccccc1)[C@H](CCl)C1CC1 2248257102 GRJQECLIHKGHIR-GOSISDBHSA-N 474.169 5.604 50 10 JKGE Cc1nn(C)c([C@H](Br)c2cc3sc(Br)cc3s2)c1Br 2278093167 GAAZCIYEKSJTOM-LLVKDONJSA-N 485.064 6.014 50 10 JKGE Cc1cc(Br)c([C@H](Br)c2ccc(Br)cc2Cl)c(C)c1F 2279157977 RRUJTMADHPBNMG-CQSZACIVSA-N 485.416 7.105 50 10 JKGE COc1ccc([C@H](Cl)c2cc(I)ccc2F)c(Br)c1Cl 2283560650 SNSLCYVTJCDRRS-ZDUSSCGKSA-N 489.937 6.183 50 10 JKGE COc1c([C@H](Br)c2ccc(Br)o2)cc(Br)c2c1CCC2 2284513557 BUNIAZOIUTYNSA-AWEZNQCLSA-N 464.979 5.786 50 10 JKGE COc1ccc(Br)c2c1nc([C@H](C)Cl)n2CCCCOCc1ccccc1 2286084442 RFMYYWJTZRQHRP-HNNXBMFYSA-N 451.792 6.104 50 10 JKGE BrCc1cc(Br)c(OC[C@]23CCCC[C@@H]2CC3)c(Br)c1 2289158742 SFTXCLWZZARABR-MLGOLLRUSA-N 467.039 6.456 50 10 JKGE CCCCOc1ccccc1C=C(C#N)C(=O)Nc1ncc(Cc2ccc(Cl)cc2Cl)s1 2293038757 XZIQLIJPMFLXFS-UHFFFAOYSA-N 486.424 6.765 50 10 JKGE Fc1ccccc1[C@H](CI)OCc1cc(Br)ccc1Cl 2295173715 ORNUDVVFORHGMD-HNNXBMFYSA-N 469.519 5.935 50 10 JKGE CCOc1ccc(C=C2CN(C(C)C)CC3=C2OC(N)=C(C#N)[C@H]3c2ccc(OCC)cc2)cc1 2295990410 DMEIACXFOZBZLH-HHHXNRCGSA-N 471.601 5.353 50 10 JKGE Brc1cc(OCc2ccccc2)ccc1[C@@H](Br)[C@H]1CCC[C@@H]2C[C@H]12 2299489045 LVDUIPLBSBVHBC-UCKNYWNBSA-N 450.214 6.900 50 10 JKGE Cn1ncc([C@H](Cl)c2ccc(OCc3ccccc3)cc2Br)c1Br 2299502934 ASONSOSCWMGCEW-QGZVFWFLSA-N 470.592 5.852 50 10 JKGE CCN[C@H](c1cc(Br)ccc1OCc1ccccc1)[C@H]1C[C@H](Br)C1 2299504100 KRRNRQHVAYMSOA-KNBMTAEXSA-N 453.218 5.852 50 10 JKGE BrC[C@@H](COc1cc(Br)cc(I)c1)CC1CC1 2301038728 CMWILHYXSNIBIN-JTQLQIEISA-N 473.974 5.244 50 10 JKGE CCOc1cc(C=C(C#N)C(=O)NC[C@H]2CCCO2)ccc1OCc1ccc(Cl)cc1Cl 2313681082 FOKAXVFYAZTYJM-HXUWFJFHSA-N 475.372 5.173 50 10 JKGE CCOc1cccc(-c2nn(-c3ccccc3)cc2C=C(C#N)C(=O)NCc2ccc(C)cc2)c1 2314522619 QULISJZEZFPHNW-UHFFFAOYSA-N 462.553 5.470 50 10 JKGE COc1ccc(N2C(=O)[C@H](Cc3ccc(F)cc3)SC2=C(C#N)C(=O)Nc2ccccc2C)cc1 2314591700 BMTHGOAPNGVEFQ-DEOSSOPVSA-N 487.556 5.208 50 10 JKGE CC[C@H](C)N1C(=O)C(=Cc2cn(-c3ccccc3)nc2-c2ccc(OC)cc2C)C(C)=C(C#N)C1=O 2314611124 RBFSWNLQHMDUDH-IBGZPJMESA-N 480.568 5.247 50 10 JKGE CC1=C(C#N)C(=O)N(CCc2ccccc2)C(=O)C1=Cc1ccc(-c2ccc(Cl)c(Cl)c2)o1 2314617136 RGWMVSVHBGPVCS-UHFFFAOYSA-N 477.347 6.088 50 10 JKGE Cc1c([C@@H](Br)c2cc(Br)c(Br)s2)ccc(Cl)c1Cl 2316996981 VTEDPEJCNNFMKP-SNVBAGLBSA-N 493.873 7.373 50 10 JKGE CC1(C)C[C@H](CBr)N(Cc2ccc(I)c(Br)c2)C1 2325207076 NNXFBJMPCUSIPR-LLVKDONJSA-N 487.017 5.049 50 10 JKGE N#CC(=Cc1cccc(Cl)c1)C(=O)Nc1c(Br)cc(C#N)cc1Br 2329685255 RFQCJGNXWABXMT-UHFFFAOYSA-N 465.532 5.282 50 10 JKGE CC(C)OC(=O)c1ccc(C(C#N)=Cc2cccc(OCc3ccc(Cl)c(Cl)c3)c2)o1 2331049678 DPEWGWKTYSQVSD-UHFFFAOYSA-N 456.325 6.795 50 10 JKGE COc1cc(C=C(C#N)c2ccccc2[N+](=O)[O-])cc(Br)c1OCc1ccccc1 2331066105 KEVLRBZKBROEJF-UHFFFAOYSA-N 465.303 6.009 50 10 JKGE N#CC(=C(O)[C@@H]1CC(=O)N(Cc2ccccc2)C1)c1nc(-c2ccc(Br)cc2)cs1 2331260418 FHLOATRZUNODRA-QGZVFWFLSA-N 480.387 5.414 50 10 JKGE CCCCCCCOc1ccc(-c2csc(C(C#N)=C(O)COc3ccc(C)c(C)c3)n2)cc1 2331345304 COHPYNXDTCYFOV-UHFFFAOYSA-N 476.642 7.648 50 10 JKGE CCOc1ccc(OCC)c(-c2csc(C(C#N)=C(O)[C@H](C)Oc3ccc(Cl)cc3)n2)c1 2331376464 GWSMDWKZGNMHDS-HNNXBMFYSA-N 470.978 6.521 50 10 JKGE COc1ccc(C)cc1-c1csc(C(C#N)=Cc2ccccc2OCc2ccccc2Cl)n1 2331449389 UQCZEDYPLMLLQE-UHFFFAOYSA-N 472.997 7.424 50 10 JKGE CCCCCCOc1ccc(C=C(C#N)c2nc(-c3cccc4ccccc34)cs2)cc1OC 2331456873 PSZVXIKUURNXBQ-UHFFFAOYSA-N 468.622 7.995 50 10 JKGE CCCCCCCOc1ccc(-c2csc(C(C#N)=Cc3ccc(OCC)c(OC)c3)n2)cc1 2331459678 IUJGTONDIIZXDP-UHFFFAOYSA-N 476.642 7.631 50 10 JKGE COc1cc(OC)c(-c2csc(C(C#N)=Cc3ccc(Br)cc3)n2)cc1Cl 2331472332 KGUNHSQKFWPIBC-UHFFFAOYSA-N 461.768 6.307 50 10 JKGE Cn1nc([C@@H](Cl)c2c(F)cc(Cl)c(Br)c2Cl)cc1Br 2335289493 LTBOXQWCBOHAPS-SNVBAGLBSA-N 451.348 5.719 50 10 JKGE COCC12CC([C@@H](Br)c3ccc(OCc4ccccc4)cc3Br)(CO1)C2 2336043806 IIDUMAYLICTAHH-MWXLCCTBSA-N 482.212 5.660 50 10 JKGE CC1(C)[C@H]2CC[C@@H](C2)[C@H]1[C@H](Br)c1ccc(OCc2ccccc2)cc1Br 2336052881 FBIDBBIDFQMMCO-KLDKWKSESA-N 478.268 7.536 50 10 JKGE Fc1c(Br)cc(Cl)c([C@H](Br)[C@H]2C[C@@]23CCOC3)c1Br 2337084469 LSEWFSHYHKPRJF-WOJVDSEISA-N 477.393 5.867 50 10 JKGE CCCc1sc(Br)cc1[C@@H](Br)c1c(C)nn(C)c1Br 2338029029 DDJKKHZKCKWRLP-GFCCVEGCSA-N 471.056 5.752 50 10 JKGE Clc1cccc([C@@H](CBr)OCc2cccc(I)c2)c1 2341611675 LNMXEUQIFBSFSG-OAHLLOKOSA-N 451.529 5.597 50 10 JKGE C[C@H](c1ccncc1F)[C@H](Br)c1cc(Cl)ccc1I 2344692697 OBLHYMLKHYYKBC-CLAHSXSESA-N 454.508 5.718 50 10 JKGE CC(C)Oc1cccc([C@H](Br)c2ccc(OCc3ccccc3)cc2Br)c1 2361199507 AHLMIWRPLKHLLN-QHCPKHFHSA-N 490.235 7.300 50 10 JKGE Clc1ccc(C[C@@H](CBr)CCc2ccccc2)cc1I 2362374341 XOQJDRMYNGKOBV-HNNXBMFYSA-N 463.584 6.131 50 10 JKGE CC(C)Cc1ccc([C@@H](Br)c2c(Br)c(Br)nn2C)cc1 2364062775 BZLDJQGGAOZWEQ-GFCCVEGCSA-N 465.027 5.628 50 10 JKGE Cc1cc(Br)c(F)c(Br)c1[C@@H](Br)C(C)(C)[C@@H]1CCCO1 2365189615 WNFJDWBIIUTTRE-IINYFYTJSA-N 473.018 6.300 50 10 JKGE Cc1cc(Br)c(F)c(Br)c1[C@@H](Br)C(F)(F)[C@H]1CCOC1 2365193959 MYHRNYDFQRAOLF-JVXZTZIISA-N 480.944 5.767 50 10 JKGE CN(CC[C@H](Br)c1cccs1)Cc1cc(Cl)ccc1I 2366194659 OQKPGQBGSIGTIY-ZDUSSCGKSA-N 484.628 5.964 50 10 JKGE Cc1cc(Br)c([C@@H](Br)[C@]23C[C@H](C[C@@H](C)O2)C3)c(C)c1Br 2368714439 UGBHOLNGSPEUCW-MEHYJIPSSA-N 467.039 6.222 50 10 JKGE COC(C)(C)C1([C@H](Br)c2c(C)c(Br)cc(C)c2Br)CC1 2369722566 GIYKRQLHDVIHCZ-CQSZACIVSA-N 469.055 6.470 50 10 JKGE CC(C)(C)OC(=O)N1CCC[C@](CBr)(OCC2CCC(C(F)(F)F)CC2)C1 2381549451 BFBMVHYVKAUVAR-JTTJXQCZSA-N 458.359 5.536 50 10 JKGE CC[C@]1(C)Cc2ccccc2C(=O)[C@@]12SS[C@@]1(S2)C(=O)c2ccccc2C[C@@]1(C)CC 1659711 RUWJPVKEUGOGNU-POTDNYQPSA-N 468.709 7.218 50 10 JKGE Cc1ccc(C[C@@H]2S/C(=C(\C#N)C(=O)Nc3ccccc3)N(c3ccccc3C)C2=O)cc1Cl 13749760 YDWAOIDBWICRFF-XYZDCVNTSA-N 488.012 6.022 50 10 JKGE Cc1cccc(N/C(SCc2ccccc2Cl)=C(/C#N)S(=O)(=O)c2ccccc2)c1C 20325779 QGMXDPSEVOVIFL-WCWDXBQESA-N 469.031 6.469 50 10 JKGE COc1cc(/C=C2\C(C)=C(C#N)c3nc(N)c(C#N)c(C)c32)ccc1OCc1ccc(F)cc1 33286228 AIKXQGKBAHCCGB-KEBDBYFISA-N 452.489 5.422 50 10 JKGE COc1cc(/C=C(/C#N)c2nnc3n2CCCCC3)ccc1OCc1c(C)cc(C(C)(C)C)cc1C 33713906 HPCKRHGABCLPKA-KQWNVCNZSA-N 484.644 6.571 50 10 JKGE O=C(CSc1nnc(-c2ccccc2)n1-c1ccccc1)N/N=C1\CCCCc2ccccc21 33757116 OGOMOPBMDJCJDB-ZZIIXHQDSA-N 467.598 5.273 50 10 JKGE CC(C)=CCC/C(C)=C/C[C@]12OC(C)(C)[C@@H](Cl)C[C@@]1(Cl)C(=O)c1c(cc(O)c(C)c1O)C2=O 33984413 ZLFOHASQVSADOU-WEUJSDEISA-N 495.443 6.391 50 10 JKGE in-vitro COc1ccc(/C=N\NC(=O)c2cc(-c3ccc(Br)cc3)nc3ccccc23)cc1OC 34982380 CSOSYKGUEUDHAA-DICXZTSXSA-N 490.357 5.445 50 10 JKGE N#C/C(=C/c1cn(-c2ccccc2)nc1-c1ccc2ccccc2c1)c1nc(O)c2ccccc2n1 34988454 ZXEQWCXCTUAZFU-QJOMJCCJSA-N 465.516 6.405 50 10 JKGE Cc1cc(C)cc(OCC(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@@H]3c2ccccc2Cl)c1 38651063 COELLXGRSBVSFU-RUZDIDTESA-N 460.917 5.159 50 10 JKGE C=CCOc1cccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4ccccc4Cl)ccc32)c1 38684511 QOSYHRQCMXLWFL-XMMPIXPASA-N 458.901 5.342 50 10 JKGE CCCOc1ccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4oc5ccccc5c4C)ccc32)cc1 38687500 VHRGIDWKPXYHQX-SANMLTNESA-N 480.520 5.967 50 10 JKGE Cc1c(C(=O)Oc2ccc(-c3ccc(C#N)cc3)cc2)oc2c1/C(=N/NC(=O)c1cccnc1)CCC2 40814180 WVMKERACAGPPHO-FEZSWGLMSA-N 490.519 5.211 50 10 JKGE Cc1c(C(=O)Nc2cccc(Cl)c2Cl)oc2c1/C(=N/NC(=O)c1ccccc1O)CCC2 40826453 PMSYARVWTZFGHY-JFLMPSFJSA-N 472.328 5.323 50 10 JKGE CC1=CC(/C=N\NC(=O)CC[C@H](O)c2ccccc2)=C(C)[C@@H]1c1ccc(OCc2ccccc2)cc1 58890581 IRNRIQQPEMIKLQ-XDAILORSSA-N 480.608 6.241 50 10 JKGE Brc1ccc(Br)c([C@H](Br)c2ccc(Br)o2)c1 71096314 ZUHGYKBDHNMCRX-NSHDSACASA-N 473.784 6.051 50 10 JKGE COc1ccccc1CN(C(=O)CCl)[C@@H](C(=O)NC1CCCCCC1)c1ccc(F)cc1Cl 97915029 MMNGFVABQYABTI-XMMPIXPASA-N 495.422 5.635 50 10 JKGE COc1ccc([C@H](Br)c2cc(Br)ccc2Br)cc1F 109844843 FTZCLCBXJOEIMV-AWEZNQCLSA-N 452.943 5.844 50 10 JKGE Cc1cc(Br)c([C@H](Br)c2cc(F)c(Cl)cc2F)cc1Br 167735042 NEOJXVCINBIKJP-AWEZNQCLSA-N 489.379 6.936 50 10 JKGE CC(C)Oc1c(Cl)cc(/C=N\NC(=O)c2ccc3[nH]c4c(c3c2)C[C@@H](C)CC4)cc1Cl 169891365 UZXRPONEYNBQKT-BUAYLDETSA-N 458.389 6.151 50 10 JKGE COc1c(C)cc(P(c2cc(C)c(OC)c(C)c2)c2ccc[c-]2[C@@H](c2ccccc2)N(C)C)cc1C 206535210 YKCMRCURJAIUDV-SSEXGKCCSA-N 498.627 6.066 50 10 JKGE CCOC(=O)c1c(NC(=O)/C(C#N)=C\c2ccc(OC)c(OC)c2)sc2c1CC[C@H](CC)C2 209406591 GTIXVUIUSPBUNM-ZCQLHAAUSA-N 468.575 5.003 50 10 JKGE CCOc1cccc(-c2nn(-c3ccccc3)cc2/C=C(/C#N)C(=O)NCc2ccc(C)cc2)c1 210033847 QULISJZEZFPHNW-JLPGSUDCSA-N 462.553 5.470 50 10 JKGE CC[C@H](NC(=O)/C(C#N)=C\Nc1ccc(Oc2ccccc2)cc1)c1ccc2c(c1)CCCC2 217189588 BGQYQQSVUNPVIZ-VXHROTETSA-N 451.570 6.445 50 10 JKGE COc1cc(Cl)c([C@@H](Br)c2cccc(Br)c2Cl)cc1OC 228452621 VSXPVPINUQGEFZ-AWEZNQCLSA-N 454.973 6.257 50 10 JKGE Fc1ccc(Br)c(F)c1C[C@H](CBr)c1ccccc1Br 230376284 LWXBLSKEFMUAKV-SECBINFHSA-N 468.961 6.211 50 10 JKGE Cc1cc(F)cc(C)c1[C@@H](Br)c1ccc(I)c(Cl)c1 235761043 CXLNDRQHCPLGEJ-HNNXBMFYSA-N 453.520 6.185 50 10 JKGE Cc1nn(C)c(Cl)c1COc1c(Br)cc(CBr)cc1Br 235816337 XXXUBLXZJUJIDW-UHFFFAOYSA-N 487.417 5.381 50 10 JKGE Cc1cc(Br)c([C@H](Br)c2cc(Cl)sc2Cl)cc1Br 235821724 RNYLDBRWRZJHJF-NSHDSACASA-N 493.873 7.373 50 10 JKGE Cc1ccc(C[C@@H](Br)c2cc(I)ccc2Br)cc1C 235864313 DMQDNVBYZOPWMV-MRXNPFEDSA-N 494.008 6.349 50 10 JKGE Fc1cccc(F)c1C[C@@H](Cl)c1cc(Br)ccc1I 236183472 KIPVJRVTTIVRFX-LLVKDONJSA-N 457.483 5.855 50 10 JKGE O=C(OCC(=O)N(N=Cc1ccccc1)c1cccc(C(F)(F)F)c1)c1cccc(OC(F)F)c1 254408386 IHNYQIHZTGHZLJ-UHFFFAOYSA-N 492.400 5.531 50 10 JKGE CCn1c2ccccc2c2cc(NC(=O)CC(C)=NNC(=O)OCc3ccc(OC)cc3)ccc21 254807925 IHBDJYNLEMGGKL-UHFFFAOYSA-N 472.545 5.454 50 10 JKGE CCCCOc1ccc(OCC(=O)NN=Cc2ccc(OC(=O)c3ccccc3)c(OCC)c2)cc1 263630696 RVHLCYQOHSXKBI-UHFFFAOYSA-N 490.556 5.013 50 10 JKGE COc1ccc([C@@H](Br)c2ccc(OCc3ccccc3)cc2)c(Br)c1 311053206 QZUSRCOGPZCZTJ-NRFANRHFSA-N 462.181 6.521 50 10 JKGE COc1cc(Cl)ccc1[C@@H]1CN(C(=O)OCc2ccccc2)C[C@@H]1CI 382716633 KXSYXDMIVGPIKI-MAUKXSAKSA-N 485.749 5.136 50 10 JKGE Cc1cc(C)c([C@@H](Br)c2cccc(Br)c2F)c(C)c1Br 383512842 FRSSMRWIEXWERV-HNNXBMFYSA-N 464.998 6.760 50 10 JKGE ClCc1cc(Br)cc(Br)c1OCc1ncccc1Br 388358922 NIEGTLJXOUOXAU-UHFFFAOYSA-N 470.386 5.687 50 10 JKGE Clc1cc([C@H](Cl)c2cccc(Br)c2Cl)c(Cl)c(Cl)c1Cl 404886100 UKUPPJJOMNSWOU-SECBINFHSA-N 453.805 8.044 50 10 JKGE C[C@@H]1[C@H](Br)C[C@H]2CC[C@H]1N2C(=O)c1scc(Br)c1Br 686176294 SQACWAWXOFFJQQ-FDDDBJFASA-N 472.040 5.050 50 10 JKGE CCCOc1ccc([C@@H](Br)c2ccsc2Br)cc1Br 704948845 WZRZLNQGBYSVMK-CYBMUJFWSA-N 469.036 6.546 50 10 JKGE COc1ccc([C@H](Br)c2cccc(F)c2I)cc1Cl 721683159 FUEAZRYBALGCEO-ZDUSSCGKSA-N 455.492 5.577 50 10 JKGE COC(=O)/C(C#N)=C(\Cc1ccccc1)C1=C(N[C@H](Cc2ccccc2)C(=O)OC(C)(C)C)CCC1 725402855 NKPZCNZWDHYXLY-SOJYZETRSA-N 486.612 5.203 50 10 JKGE O=C(NN=Cc1cc(N=Nc2ccccc2)ccc1O)c1cc2cc(Br)ccc2o1 1083968684 XYLVVJOWILQWGK-UHFFFAOYSA-N 463.291 6.080 50 10 JKGE CCCCCCCCCCOc1ccc(C(=O)NN=Cc2ccc(N3CCOCC3)o2)cc1 1084047169 KRIVSMZJQSQNGN-UHFFFAOYSA-N 455.599 5.400 50 10 JKGE O=C(COc1ccc(C2CCCCC2)cc1)NN=Cc1ccccc1OCc1ccc(C(=O)O)cc1 1084218923 BVGQASXRAYWMCE-UHFFFAOYSA-N 486.568 5.541 50 10 JKGE O=C(NN=Cc1c(Oc2ccc(C(F)(F)F)cc2[N+](=O)[O-])ccc2ccccc12)c1ccc(F)cc1 1084431761 AQGSJCPTOMUKJR-UHFFFAOYSA-N 497.404 6.462 50 10 JKGE Cc1c(C(=O)Nc2ccccc2F)oc2c1C(=NNC(=O)C(c1ccccc1)c1ccccc1)CCC2 1772749572 WHJABKIDXHBHMR-UHFFFAOYSA-N 495.554 5.968 50 10 JKGE Cc1c(C(=O)NN(c2ccccc2)c2ccccc2)oc2c1C(=NNC(=O)c1ccccc1O)CCC2 1772752140 VPWJGEGCRWTQDI-UHFFFAOYSA-N 494.551 5.247 50 10 JKGE COc1cc(C=NNC(=O)CSc2ccc(Cl)cc2)ccc1OCCc1ccccc1 1772755994 JFQZMEMHUWEZNE-UHFFFAOYSA-N 454.979 5.213 50 10 JKGE C[C@H](c1ccccc1)N1C[C@H](/C(O)=C(\C#N)c2nc(-c3ccc(Cl)cc3Cl)cs2)CC1=O 1872744676 CMEOYVKFMAUABA-YVPPRRECSA-N 484.408 6.519 50 10 JKGE CC(C)c1ccccc1O[C@@H](C)/C(O)=C(\C#N)c1nc(-c2ccc(Cl)c(Cl)c2)cs1 1872749604 ZFGXSDQBAPQCCJ-AEWZPABSSA-N 459.398 7.500 50 10 JKGE COc1ccc(C(C)(C)C)cc1-c1csc(/C(C#N)=C(O)/C=C\c2ccc3c(c2)OCCO3)n1 1872752021 ZSOMNQCVKUWLGB-OIRHJMEBSA-N 474.582 6.393 50 10 JKGE COc1c(Cl)cc(Cl)cc1-c1csc(/C(C#N)=C(\O)Cc2cccc3ccccc23)n1 1872754057 AGOYCWPZIBWHTN-QOCHGBHMSA-N 467.377 7.314 50 10 JKGE COc1cc(-c2csc(/C(C#N)=C(\O)Cc3ccccc3[N+](=O)[O-])n2)c(OC)cc1Cl 1872754624 BHBQERWWOXBOOG-JXAWBTAJSA-N 457.895 5.424 50 10 JKGE Cc1cc(C)c(-c2csc(/C(C#N)=C(\O)[C@H]3CC(=O)N([C@@H](C)c4ccccc4)C3)n2)c(C)c1 1872756824 CIVQHXGATFAPFS-INGOTMSVSA-N 457.599 6.138 50 10 JKGE CCCCOc1ccc(/C=C(\C#N)c2nc(-c3ccc(OC)c(C)c3C)cs2)cc1OCC 1872793000 CGAYGBDTVUJTHC-KGENOOAVSA-N 462.615 7.077 50 10 JKGE CCCCOc1ccc(C(=O)Nc2sc(/C(C)=C/C#N)c(C)c2C(=O)OC)cc1OCC 1873428002 HODVDARAPFUEPC-RVDMUPIBSA-N 456.564 5.600 50 10 JKGE CCCCCCOc1ccc(/C(O)=C(\C#N)c2nc(-c3cc(OC)ccc3OC)cs2)cc1 1873921053 RSFWCSPUAWIOJI-LVWGJNHUSA-N 464.587 6.736 50 10 JKGE CC(C)CC(CBr)(CBr)Cc1sccc1I 1901020989 LPTMDEXJXSRURY-UHFFFAOYSA-N 480.047 5.718 50 10 JKGE CC[C@H](Br)CN(Cc1ccccc1)C(=O)c1cc(Br)ccc1Cl 1915076775 QUGZPVVTNNSVHI-AWEZNQCLSA-N 459.609 5.918 50 10 JKGE COc1cccc(OC)c1[C@H](Br)c1sc(Br)c(C)c1Br 1922880478 DNWTVWCFWRTQHC-LBPRGKRZSA-N 485.035 6.083 50 10 JKGE Cc1c(Br)sc([C@H](Br)C2CC[C@@H]3C[C@H]3CC2)c1Br 1922929953 NPGHABMNPQTGIL-CKYFFXLPSA-N 457.069 6.844 50 10 JKGE Cc1ccc(Cl)cc1[C@H](Br)c1c(Br)sc(Br)c1Cl 1923055834 ZKNNIGIMQKHGSA-VIFPVBQESA-N 493.873 7.373 50 10 JKGE CC(C)c1ccccc1[C@H](Br)c1c(Br)sc(Br)c1Cl 1923066340 ONKKSOGIJQPKLY-NSHDSACASA-N 487.482 7.534 50 10 JKGE C[C@H]([C@@H]1CCCO1)[C@@H](Br)c1c(Br)sc(Br)c1Cl 1923066875 WDVNOQGPCUZEBS-GKROBHDKSA-N 467.448 6.178 50 10 JKGE Clc1c(Br)sc(Br)c1[C@@H](Br)[C@@H]1CC[C@H]2C[C@@H]1CO2 1923068304 PMLSUYQBQGNNEY-AYHNYZOXSA-N 479.459 6.178 50 10 JKGE Cl[C@H](Cc1ccncc1Br)c1cc(Br)sc1Br 1924042420 ZRRLATLOBFPJCM-SECBINFHSA-N 460.416 5.953 50 10 JKGE Cc1cccc([C@@H](Br)Cc2ccncc2Br)c1I 1924052850 PCJBTKTVENJMRI-LBPRGKRZSA-N 480.969 5.436 50 10 JKGE C[C@@H]1COc2ccc([C@@H](Cl)c3cc(Br)ccc3I)cc21 1925732882 APTGJTWABBSPSR-JDNHERCYSA-N 463.540 5.878 50 10 JKGE CCc1cc(Br)c([C@@H](Br)c2sccc2I)s1 1936756993 QANUZYKCGGGZBS-SECBINFHSA-N 492.039 6.223 50 10 JKGE Cc1nn(-c2ccc(F)cc2)c(Cl)c1C=C(C#N)c1nc(O)c2c3c(sc2n1)C[C@H](C)CC3 2040447405 SXQDLEQHMPLDCF-GFCCVEGCSA-N 479.968 5.873 50 10 JKGE COc1cc(C)c(Br)cc1[C@H](Br)c1cc(Br)cs1 2052436308 IDRPGWINNGXRFQ-ZDUSSCGKSA-N 455.009 6.074 50 10 JKGE ClCc1c(Cl)nc(Cl)n1-c1cc(Br)c(Br)c(Br)c1 2055055142 CHGARUXVUZCEHH-UHFFFAOYSA-N 498.227 6.205 50 10 JKGE CC(C)c1cc(C(F)(F)F)ccc1-n1nc(CCl)c(I)c1C(F)(F)F 2079211031 HHMAWFOGKRAAIA-UHFFFAOYSA-N 496.620 6.377 50 10 JKGE Cc1cc(C)c(C)c([C@H](Br)c2sc(Br)cc2Br)c1 2082916492 NDLLOFNVDVRVTN-ZDUSSCGKSA-N 453.037 6.683 50 10 JKGE BrCc1cc(Br)ccc1N1CC[C@@H]2CCN(Cc3ccccc3)C[C@H]2C1 2092523652 JPHYRXZWLLPCBF-ICSRJNTNSA-N 478.272 5.692 50 10 JKGE Cc1cc(CCl)cc(S(=O)(=O)N(Cc2ccccc2)CC(C)(C)C)c1Br 2095917685 IYNVJFJLJRITKB-UHFFFAOYSA-N 458.849 5.733 50 10 JKGE Cc1cc(F)c(Cl)cc1[C@@H](Br)c1ccc(Br)cc1Br 2137068975 FAIATVDWRXPKDM-AWEZNQCLSA-N 471.389 6.797 50 10 JKGE Cc1c(Br)ccc([C@@H](Br)C23COC(CF)(C2)C3)c1Br 2138848379 FYXZMPCUOCMMRG-IYXRBSQSSA-N 456.975 5.475 50 10 JKGE Brc1ccc([C@H](Br)[C@]23CCCC[C@H]2OCC3)c(Br)c1 2138860672 BTQHAMCARZIBPT-ILXRZTDVSA-N 453.012 5.997 50 10 JKGE O=C1CCc2cc([C@H](Br)c3csc(Br)c3Br)ccc2N1 2150341392 BQHIGEKKQMESTA-LBPRGKRZSA-N 480.019 5.642 50 10 JKGE CC[C@H](N)Cc1cc(Br)c(OC[C@H]2C[C@H](Br)C2)c(Br)c1 2196937987 MWHOTSWGTBZLNX-SRVKXCTJSA-N 470.043 5.044 50 10 JKGE Cc1c(Br)ccc([C@H](Br)[C@@H]2C(F)(F)C23CCCC3)c1Br 2203682764 JFELJPPBFUIUCB-STQMWFEESA-N 472.993 6.782 50 10 JKGE Cc1cc([C@@H](Cl)c2sc(Br)cc2Br)cc(C)c1Br 2220199212 WEAXUMJSKYXSEF-GFCCVEGCSA-N 473.455 6.981 50 10 JKGE FC(F)(F)c1cnc(N(Cc2ccccc2)[C@H](CBr)C2CC2)c(Br)c1 2224025316 GSSDIYBFOVDYEK-MRXNPFEDSA-N 478.150 6.043 50 10 JKGE COc1cc(Br)c(C)cc1[C@@H](Br)c1scc(Br)c1C 2226119977 AURRBFHFSPYNEO-CYBMUJFWSA-N 469.036 6.383 50 10 JKGE Cc1ccc(C(CBr)(CBr)Cc2cscc2Br)cc1 2227115305 KNMKAMZZWDLERL-UHFFFAOYSA-N 467.064 6.089 50 10 JKGE Cc1cc(Br)c([C@H](Br)[C@H](C)[C@@H]2CCCO2)c(C)c1Br 2227362947 RWGIDZCXHLJXIX-MURWCNHISA-N 455.028 6.080 50 10 JKGE Fc1cc(F)c([C@@H](Cl)c2ccccc2I)c(F)c1Br 2227802622 MZAGJQWHEAVPIE-LBPRGKRZSA-N 461.446 5.799 50 10 JKGE FC(F)(F)[C@@H]1C[C@H]1C[C@@H](Br)c1c(Br)cc(Cl)c(Cl)c1Cl 2232512222 SLKZBSADYVFOTF-KVQBGUIXSA-N 475.357 7.434 50 10 JKGE C[C@H](Cl)c1nc2ccncc2n1-c1ccc(Br)cc1I 2240289530 QJQXCMIWNNXUGW-QMMMGPOBSA-N 462.516 5.087 50 10 JKGE Cc1sc([C@@H](Br)c2ccc(I)cc2)c(Br)c1C 2246413837 NHZUEULFVWLOTE-LBPRGKRZSA-N 486.010 6.216 50 10 JKGE COc1c(Br)cc(Cl)cc1[C@@H](Br)c1cn(C)c(Br)n1 2264357159 VWRCTFJCEHWWSA-SNVBAGLBSA-N 473.390 5.091 50 10 JKGE Cc1cc([C@H](Br)c2c(F)cc(Br)c(F)c2Br)sc1Cl 2272724950 WAXOXRRAYVFIPX-VIFPVBQESA-N 495.408 6.997 50 10 JKGE COC1CC(C[C@H](Br)c2c(F)cc(Br)c(F)c2Br)C1 2272841344 MIVOXLMVFFMMTK-RRQHEKLDSA-N 462.954 5.741 50 10 JKGE Cc1cc([C@H](Cl)c2c(F)cc(Br)c(F)c2Br)sc1Cl 2272847680 OTBRDSFMXVNHEI-JTQLQIEISA-N 450.957 6.841 50 10 JKGE Cc1nn(C)c(Br)c1[C@H](Cl)Cc1cc(Br)cc(Br)c1 2277955399 JIZXLDYVILGYEX-LLVKDONJSA-N 471.418 5.539 50 10 JKGE Cc1cc(Br)c([C@@H](Br)c2ccc(Cl)cc2Br)c(C)c1F 2279147291 TTWDQDWNRCLZGK-AWEZNQCLSA-N 485.416 7.105 50 10 JKGE O=[N+]([O-])c1ccc(C[C@H](Br)c2c(F)cccc2I)cc1 2282776778 ZEPIKDSQPRAEBM-NSHDSACASA-N 450.045 5.017 50 10 JKGE C=CC[C@]1(CBr)CCCN(Cc2ccc(Br)cc2Br)C1 2287739488 QAVWRZTWZWZWKD-MRXNPFEDSA-N 466.055 5.765 50 10 JKGE COc1cc(F)c(CBr)c(Oc2cc(I)ccc2Cl)c1 2288253544 YNGXSMYMOANJKC-UHFFFAOYSA-N 471.491 5.780 50 10 JKGE N#CC(=Cc1cccc(Oc2ccccc2)c1)C(=O)Nc1cccc(I)c1 2295172604 JGRPSFBGYLTKCX-UHFFFAOYSA-N 466.278 5.629 50 10 JKGE COc1cccc([C@H](Br)Cc2cc(Br)cc(Br)c2)c1Cl 2295336537 XIUZBTMZOUYJGM-CYBMUJFWSA-N 483.425 6.552 50 10 JKGE COc1cc2c(cc1NC=C(C#N)c1nc(-c3cccc([N+](=O)[O-])c3)cs1)oc1ccccc12 2295945688 QWLZCCQCMDEYIB-UHFFFAOYSA-N 468.494 6.603 50 10 JKGE COc1ccc2nc(C(C#N)=Cc3cc(Cl)c(OCc4ccc(C(=O)O)cc4)c(Cl)c3)[nH]c2c1 2297371013 GSAJEAQKHIFQSZ-UHFFFAOYSA-N 494.334 6.220 50 10 JKGE Cl[C@@H](c1c(Br)sc(Br)c1Br)[C@@H]1C[C@@H]2CC[C@H]1C2 2298417162 JMQHOTGRXQDVRH-JTGULSINSA-N 463.460 6.752 50 10 JKGE CC[C@@H]1CC[C@H]([C@@H](Br)c2cc(Br)ccc2OCc2ccccc2)O1 2299492739 DHNJTLXIWMTERJ-AHRSYUTCSA-N 454.202 6.422 50 10 JKGE COC[C@]1(C)C[C@H]1[C@H](Br)c1ccc(OCc2ccccc2)cc1Br 2299524828 HYQIUMSWUFGICP-SXLOBPIMSA-N 454.202 6.137 50 10 JKGE BrCC1(CSc2cc(I)ccc2Br)CCCC1 2300792133 HLWCUPAEEHACNL-UHFFFAOYSA-N 490.042 6.101 50 10 JKGE Cc1ccc(Cl)c([C@@H](Br)c2sc(Cl)cc2I)c1 2300954506 YQZXQMFJHFLMHY-LLVKDONJSA-N 461.977 6.452 50 10 JKGE CCOc1ccc(NC(=O)C(C#N)=Cc2ccc(OCc3c(Cl)cccc3Cl)c(OC)c2)cc1 2313738812 QQVXVBJUZFBSBK-UHFFFAOYSA-N 497.378 6.525 50 10 JKGE FC1(F)CC2(C[C@H]2[C@@H](Br)c2cc(Br)ccc2OCc2ccccc2)C1 2314443831 IMOHVQMOAZLBIB-WMZOPIPTSA-N 472.167 6.900 50 10 JKGE N#CC(=Cc1ccc(-c2cccc(C(F)(F)F)c2)o1)C(=O)Nc1cc(Cl)cc(Cl)c1 2314489557 SJFAGUDPDVRZHK-UHFFFAOYSA-N 451.231 6.818 50 10 JKGE C[C@H](c1ccccc1)[C@H](Br)c1ccc(OCc2ccccc2)cc1Br 2314499615 DXEBKUSGIKSRDP-ZHRRBRCNSA-N 460.209 7.268 50 10 JKGE CC(C)(C)C1([C@@H](Br)c2ccc(OCc3ccccc3)cc2Br)CCC1 2314501269 VVVURYCBHGMCEJ-FQEVSTJZSA-N 466.257 7.681 50 10 JKGE FC(F)(F)C(F)(F)C[C@@H](Br)c1ccc(OCc2ccccc2)cc1Br 2314502012 DICYCURDKOLGIA-OAHLLOKOSA-N 488.088 7.052 50 10 JKGE Cc1ccc(C)c(NC(=O)C(C#N)=Cc2c(Oc3ccc(Cl)c(C)c3)nc3ccccn3c2=O)c1 2314533657 SOIGXJYJNUQRPN-UHFFFAOYSA-N 484.943 5.611 50 10 JKGE CC1=C(C#N)C(=O)N(C(C)C)C(=O)C1=Cc1cn(-c2ccccc2)nc1-c1ccc(Cl)cc1 2314610747 LWLSRRVDXNJXJC-UHFFFAOYSA-N 456.933 5.193 50 10 JKGE Cl[C@H](C[C@H]1CC[C@@H]1C1CC1)c1c(Br)sc(Br)c1Br 2319489222 HYQQNGAKWUTBKD-IWSPIJDZSA-N 477.487 7.142 50 10 JKGE Cc1cc(I)ccc1NC=C(C#N)C(=O)NC(c1ccccc1)c1ccccc1 2324825854 LSXQGUQUDPCWJW-UHFFFAOYSA-N 493.348 5.325 50 10 JKGE C[C@@]1(C(F)F)C[C@]1(CBr)Cc1ccc(I)c(Br)c1 2325222445 KZQJQUQYLXBERA-STQMWFEESA-N 493.955 5.653 50 10 JKGE CCOC(=O)c1c(-c2ccccc2)csc1NC(=O)C(C#N)=Cc1ccc(Br)cc1 2329663824 XXFVQBBGTHWRJX-UHFFFAOYSA-N 481.371 5.900 50 10 JKGE O=C(c1cc(Br)c(Br)s1)N1CC[C@H]2CC[C@H](Br)[C@@H]1C2 2330967495 VUHJISXXFCZQGO-WEDXCCLWSA-N 472.040 5.051 50 10 JKGE COc1cc2nc(C(C#N)=Cc3cccc(OCc4ccc(Cl)cc4)c3)nc(O)c2cc1OC 2331042624 RXUVBLSDBZEITH-UHFFFAOYSA-N 473.916 5.649 50 10 JKGE COc1cc(C=C(C#N)c2ccccc2[N+](=O)[O-])ccc1OCc1ccc(Cl)c(Cl)c1 2331066274 UYBZTACSPSRNAT-UHFFFAOYSA-N 455.297 6.553 50 10 JKGE COc1ccc(OCC(O)=C(C#N)c2nc(-c3ccc(Cl)cc3Cl)cs2)c(C(C)(C)C)c1 2331251553 YCUVQDHQHNNFGR-UHFFFAOYSA-N 489.424 7.295 50 10 JKGE N#CC(=C(O)C=Cc1ccc2c(c1)OCCO2)c1nc(-c2cccc(Br)c2)cs1 2331279377 PZGVXVSIXMEIHY-UHFFFAOYSA-N 467.344 5.850 50 10 JKGE CCCCc1ccc(N2C[C@H](C(O)=C(C#N)c3nc(-c4ccc([N+](=O)[O-])cc4)cs3)CC2=O)cc1 2331281208 SWMGFEADOADADH-LJQANCHMSA-N 488.569 5.907 50 10 JKGE CC[C@@H](C)[C@H](C(O)=C(C#N)c1nc(-c2c(C)c(C)cc(C)c2C)cs1)N1C(=O)c2ccccc2C1=O 2331366474 YHMFVXVYKXNGQB-SGANQWHYSA-N 499.636 6.547 50 10 JKGE COc1cc(C)c(-c2csc(C(C#N)=C(O)CNC(=O)c3ccc(Cl)cc3Cl)n2)cc1C 2331402752 MXRNKPKYJOOFON-UHFFFAOYSA-N 488.396 5.965 50 10 JKGE COC[C@@H]1CC[C@H](Cc2cc(I)ccc2Cl)C[C@@H]1Br 2352444041 NBCMAQBUNMLOJH-SUNKGSAMSA-N 457.577 5.313 50 10 JKGE FC1(F)C[C@]12CCC[C@H]([C@@H](Cl)c1cc(Br)ccc1OCc1ccccc1)C2 2361212117 VFBHKXLVQIOYKY-ZLGUVYLKSA-N 455.770 7.524 50 10 JKGE CCCCCc1ccc([C@H](Br)c2c(Br)c(Br)nn2C)s1 2364227741 CZTUILMBPHFFBB-NSHDSACASA-N 485.083 6.224 50 10 JKGE Cc1cc(Br)c(F)c(Br)c1[C@@H](Br)CC(C1CC1)C1CC1 2365217030 AFABXKUXCBEPKI-LBPRGKRZSA-N 469.030 6.921 50 10 JKGE Cc1cc(Br)c(F)c(Br)c1[C@@H](Br)[C@@H]1CC[C@@H]2[C@H]1C2(F)F 2365224454 YLFMXXHBIXYFGJ-QPYBSBGSSA-N 476.956 6.386 50 10 JKGE COc1cc(C)c(Br)cc1[C@H](Cl)c1ccc(Cl)cc1I 2365597450 GZVQNPMHOQNKSZ-OAHLLOKOSA-N 485.974 6.352 50 10 JKGE Cc1cccc([C@H](CBr)OCc2ccc(Cl)cc2I)c1 2365645428 NWEFNELCNLQHBI-INIZCTEOSA-N 465.556 5.906 50 10 JKGE BrCC(CBr)(CCc1ccccc1)Cc1nc(Br)cs1 2368850674 GBVIKQDQUFFZGI-UHFFFAOYSA-N 482.079 5.857 50 10 JKGE O=C(c1cc(Br)c(Br)s1)N1CCC[C@@H](Br)[C@@H]1C(F)(F)F 2370245802 YYKCUAOTLDNARN-SVGQVSJJSA-N 499.972 5.204 50 10 JKGE CCCCO[C@H]1[C@@H](OCc2cc(I)ccc2Cl)C[C@H]1Br 2380342707 KSZLHXXIBVGWAO-VHDGCEQUSA-N 473.576 5.182 50 10 JKGE COc1ccc(N/C(SCc2cccc(C)c2)=C(/C#N)S(=O)(=O)c2ccccc2)cc1Cl 20325677 JFHHHGSJQDNCQE-WCWDXBQESA-N 485.030 6.169 50 10 JKGE COc1ccc(/C(C#N)=C\c2ccc(OC(=O)CC(c3ccccc3)c3ccccc3)cc2)cc1OC 31900960 BEYFISXAWJOMOK-DIBXZPPDSA-N 489.571 6.896 50 10 JKGE N#C/C(=C/c1ccc(-c2cccc(C(F)(F)F)c2)o1)c1nc(-c2cccc([N+](=O)[O-])c2)cs1 33471796 NYCYKDWCIYCTGG-WJDWOHSUSA-N 467.428 7.061 50 10 JKGE CCCCCOc1ccc(/C=C2/C(=O)N(CCc3ccccc3)C(=O)C(C#N)=C2C)cc1OCC 38607544 MCTAZWNIWIMDRR-HKOYGPOVSA-N 472.585 5.489 50 10 JKGE CCCCOc1cccc(C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@@H]3c2ccccc2OCC)c1 38650543 SDRMIRKLIKKLNB-HHHXNRCGSA-N 484.552 5.702 50 10 JKGE CCc1ccc(OCC(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@H]3c2ccccc2Cl)cc1 38651082 IJSMAEVISYPWOB-VWLOTQADSA-N 460.917 5.105 50 10 JKGE C=CCOc1ccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4cccc5ccccc45)ccc32)cc1 38658179 QPMUDHOXHXSJKG-MUUNZHRXSA-N 474.516 5.842 50 10 JKGE Cc1cccc(C(=O)N/N=C2\CCCc3oc(C(=O)Oc4cc(C)c(Cl)c(C)c4)c(C)c32)c1 40811423 PQMKUKMOAIELBF-VFCFBJKWSA-N 464.949 5.856 50 10 JKGE Cc1c(C(=O)Nc2ccc(F)cc2)oc2c1/C(=N/NC(=O)c1ccccc1Br)CCC2 40812927 VVLVDNSMQPBQAH-OVVQPSECSA-N 484.325 5.212 50 10 JKGE Cc1cc(C)cc(NC(=O)c2oc3c(c2C)/C(=N/NC(=O)c2ccc4ccccc4n2)CCC3)c1 40825756 DYIDDGYYQAAMFW-DFKUXCBWSA-N 466.541 5.476 50 10 JKGE CCOc1ccc([C@H](O)CCC(=O)N/N=C\c2c(C)n(Cc3ccccc3F)c3ccccc23)cc1 58894724 XNRBROGILWBUMP-UHRFABFRSA-N 487.575 5.500 50 10 JKGE CCc1ccccc1NC(=O)/C(C#N)=C/c1cccc(OCc2ccc(Br)cc2)c1 59254898 LXTADVYSJGLTTK-KGENOOAVSA-N 461.359 6.136 50 10 JKGE COc1ccc(C(=O)N/N=C/c2cccc(OCc3ccc(Cl)cc3Cl)c2)cc1OC 59435284 SYBZZWXQBLEEGI-LGJNPRDNSA-N 459.329 5.354 50 10 JKGE COc1ccc(/C=C(/C#N)C(=O)Nc2c(C)cc(C)cc2C)cc1COc1ccc(C#N)cc1 96438847 BDEBYYRFCWGUTG-QRVIBDJDSA-N 451.526 5.617 50 10 JKGE COc1ccc([C@H](C(=O)NC2CCCCCC2)N(Cc2ccc(C)cc2)C(=O)CCl)cc1 97915003 NMKDSUGQVBKTKU-RUZDIDTESA-N 457.014 5.151 50 10 JKGE ClC1=C(Cl)[C@@]2(Cl)[C@@H]3[C@H](Br)[C@H](Br)C[C@H]3[C@@]1(Cl)C2(Cl)Cl 100182604 RVVRZNVGDRBUJH-OTWKVKGHSA-N 498.684 5.995 50 10 JKGE CCN1C(=O)C(C#N)=C(C)/C(=C\c2cn(-c3ccccc3)nc2-c2ccc(OCCC(C)C)cc2)C1=O 101332449 ZVCOFTKNTOTNAP-YZSQISJMSA-N 494.595 5.576 50 10 JKGE Cc1ccc(NC(=O)/C(C#N)=C2/S[C@@H](Cc3cccc(Cl)c3)C(=O)N2c2ccc(C)cc2)cc1 102974813 SEZIVLBQZWMZGV-BSSRNLCFSA-N 488.012 6.022 50 10 JKGE Fc1ccc([C@H](Cl)c2cc(Br)sc2Br)cc1C(F)(F)F 109825071 GDWFLWKHEDZNFJ-JTQLQIEISA-N 452.492 6.759 50 10 JKGE COc1cc(C)c(Br)cc1[C@H](Br)c1cc(Br)ccc1F 115867090 SYIBIIHZGZZBMJ-OAHLLOKOSA-N 466.970 6.152 50 10 JKGE Fc1cc(Br)cc(CC(CBr)(CBr)C2CCCC2)c1 128722758 DMXQWYWIWJSHDN-UHFFFAOYSA-N 457.019 6.097 50 10 JKGE Cc1cc(Br)cc([C@H](Cl)c2cc(Br)c(C)cc2Br)c1 132025419 JKQYUPMBNBCHPW-HNNXBMFYSA-N 467.426 6.919 50 10 JKGE COc1cc(Br)ccc1[C@@H](Br)c1cc(Cl)c(Br)s1 135309465 FQJOVAPJXDXJOH-LLVKDONJSA-N 475.427 6.419 50 10 JKGE Clc1cccc(CO[C@@H](CI)c2ccccc2Br)c1 162435924 QZOVOKXAZPURMN-HNNXBMFYSA-N 451.529 5.795 50 10 JKGE CCOc1cc(/C=C2\C(=O)N(CC(C)C)C(=O)C(C#N)=C2C)ccc1OCc1ccccc1F 214275987 PORUJVSJXQUKPW-MTJSOVHGSA-N 462.521 5.052 50 10 JKGE C[C@H](NC(=O)NC[C@]1(C)C[C@H](N=C=O)CC(C)(C)C1)C1(c2ccc(Br)cc2)CC1 229111251 PEFLRAACNSEDAH-DKZVUGQWSA-N 462.432 5.089 50 10 JKGE COc1ccc(F)cc1[C@@H](Br)c1ccc(I)c(Cl)c1 232343258 MMCXYGDNXBHEBN-AWEZNQCLSA-N 455.492 5.577 50 10 JKGE C[C@@H](Br)c1ccccc1NC(=O)c1cc(Br)cc(Br)c1 235061262 MXTSNAPGAFYEQQ-SECBINFHSA-N 461.979 5.920 50 10 JKGE Cc1cc([C@H](Br)c2cc(I)ccc2Br)cc(C)c1F 235860307 LOQRNCIFLZALTB-AWEZNQCLSA-N 497.971 6.294 50 10 JKGE Cc1ccccc1C=NNC(=O)CSc1nnc(-c2ccc(C(C)(C)C)cc2)n1-c1ccccc1 254746136 KJNVNIOVNNBZSQ-UHFFFAOYSA-N 483.641 5.783 50 10 JKGE CC(=NNC(=O)CCCCCCC(=O)NN=C(C)c1ccccc1Cl)c1ccccc1Cl 254842670 RRDDCQFQKALHSY-UHFFFAOYSA-N 475.420 5.715 50 10 JKGE Cc1ccc(C(C)C)c(OCC(=O)NN=Cc2ccc(OC(=O)c3cccc4ccccc34)cc2)c1 254904867 HDVDUBYMAHCOTQ-UHFFFAOYSA-N 480.564 6.020 50 10 JKGE CCN(CCOCC(=O)Oc1ccc([N+](=O)[O-])cc1)c1ccc(N=Nc2ccc([N+](=O)[O-])cc2)cc1 257354034 VHFVCDUPECNYSM-UHFFFAOYSA-N 493.476 5.367 50 10 JKGE 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 257446737 IOFXIXOKOAYADV-GLHWSRKESA-N 470.694 6.580 50 10 JKGE biogenic COc1cc2c(cc1C)nc([C@H](C)Cl)n2CCCN(Cc1ccccc1)Cc1ccccc1 390471671 HMJJFKHXRQAJPJ-QFIPXVFZSA-N 462.037 6.746 50 10 JKGE Fc1cccc([C@@H](CBr)Cc2cc(Cl)ccc2I)c1 405517552 HWFQUZVUDHWZOQ-GFCCVEGCSA-N 453.520 5.805 50 10 JKGE N#CSc1ccc(NC(=O)Nc2cccc(C(=O)NC(c3ccccc3)c3ccccc3)c2)cc1 586700684 ONUFZUAPASDOJM-UHFFFAOYSA-N 478.577 6.423 50 10 JKGE CN(C(=O)OC(C)(C)C)c1cccc([C@H]2CN(CCO[Si](C)(C)C(C)(C)C)c3ccccc3N2)c1 616684892 OOSVSJYTDDGOCD-XMMPIXPASA-N 497.756 7.053 50 10 JKGE COCc1cc(Br)c([C@H](Br)c2ccc(Br)cc2C)s1 688140358 VUYIVJDDGCUTOV-CYBMUJFWSA-N 469.036 6.212 50 10 JKGE CC1(C)COc2c([C@@H](Cl)c3csc(I)c3)cc(Br)cc21 688220574 HLTHONIADZGMQS-ZDUSSCGKSA-N 483.596 6.113 50 10 JKGE CO[C@@](C)(COCc1ccccc1)Cn1c([C@@H](C)Cl)nc2ccc(Br)cc21 702782813 FRYBCGYFEGYKEK-QVKFZJNVSA-N 451.792 5.721 50 10 JKGE BrCc1c(Br)cccc1N1CC[C@@H]2CC[C@H](C1)N2Cc1ccccc1 717411315 IEVJCZAERFCRST-ZWKOTPCHSA-N 464.245 5.587 50 10 JKGE Cc1cc(F)c([C@H](Cl)c2ccc(I)c(Br)c2)cc1F 721605995 UZSYWJRSCGOSPX-CQSZACIVSA-N 457.483 5.969 50 10 JKGE Cc1cccc(Br)c1[C@H](Br)c1sc(C)c(Br)c1C 724927002 DJDNCRWXMORKPO-ZDUSSCGKSA-N 453.037 6.683 50 10 JKGE Cc1ccc(-n2c(C)c(Br)c(C=NNC(=O)CSCc3ccccc3C)c2C)cc1C 725423356 CVEPWHOAXCZQJE-UHFFFAOYSA-N 498.490 6.165 50 10 JKGE CC(=O)O[C@@H]1CC[C@]2(C)C(=CC[C@H]3[C@H]2CC[C@@]2(C)C(n4cnc5ccccc54)=C(C=O)C[C@H]32)C1 936069071 BYOULNBXJIWWLD-ZAVBKNLHSA-N 458.602 5.951 50 10 JKGE Cc1ccc(C)c(NC(=O)/C(C#N)=C2/C(=O)N(Cc3ccccc3)c3ccc(Br)cc32)c1 1084246480 SHTZIFSKOOHEGW-DARPEHSRSA-N 486.369 5.529 50 10 JKGE CC(CCc1ccccc1)=NNC(=O)CN(c1ccc(C(C)C)cc1)S(=O)(=O)c1ccccc1 1084583647 MGHRYEUCOFLSQA-UHFFFAOYSA-N 477.630 5.130 50 10 JKGE O=C(OCc1ccccc1)N1C[C@H](CBr)[C@H](c2ccc(F)c(C(F)(F)F)c2)C1 1614624096 OORZGLQTQCYQEI-HOTGVXAUSA-N 460.265 5.592 50 10 JKGE Cc1c(C(=O)NNc2ccccc2)oc2c1C(=NNC(=O)C(c1ccccc1)c1ccccc1)CCC2 1772749556 VUKQKEYZGYDEKD-UHFFFAOYSA-N 492.579 5.334 50 10 JKGE Cc1c(C(=O)N2c3ccccc3C[C@@H]2C)oc2c1C(=NNC(=O)c1ccc3ccccc3n1)CCC2 1772751221 KTHNWIDWJCEXAA-KRWDZBQOSA-N 478.552 5.198 50 10 JKGE CCc1nn(Cc2ccc(Cl)c(Cl)c2)c2c1[C@H](c1ccc(Cl)cc1Cl)C(C#N)=C(N)O2 1865685154 DWDOHWRBTWVPFL-LJQANCHMSA-N 494.209 6.326 50 10 JKGE CCCc1nn(-c2cccc3ccccc23)c2c1[C@H](c1ccc(OCC)c(OC)c1)C(C#N)=C(N)O2 1865695194 MGSSUSQGFBHCLX-AREMUKBSSA-N 480.568 5.603 50 10 JKGE CCCCCOc1ccc([C@H]2C(C#N)=C(N)Oc3c2c(C(F)(F)F)nn3CCC)cc1OC 1865696491 NXIBMUJTCLVSEH-SFHVURJKSA-N 464.488 5.108 50 10 JKGE CCCc1nn(-c2ccc(Cl)c(Cl)c2)c2c1[C@@H](c1cn(C)c3ccccc13)C(C#N)=C(N)O2 1865699080 KIAOZHFBUNNLOM-JOCHJYFZSA-N 478.383 5.841 50 10 JKGE CC(C)Oc1ccccc1[C@@H]1C(C#N)=C(N)Oc2c1c(-c1ccccc1)nn2Cc1ccccc1F 1865704622 AFAVCUCFNNVIJE-RUZDIDTESA-N 480.543 5.743 50 10 JKGE N#CC1=C(N)Oc2c(c(C(F)(F)F)nn2Cc2ccccc2)[C@H]1c1ccc(C(F)(F)F)cc1 1865711052 ORJXJUGIWYGECN-INIZCTEOSA-N 464.369 5.187 50 10 JKGE Cc1cccc([C@@H]2C(C#N)=C(N)Oc3c2c(-c2ccccc2)nn3Cc2cccc(Cl)c2)c1 1865711274 URYHOHFWISPYFY-HSZRJFAPSA-N 452.945 5.778 50 10 JKGE N#CC1=C(N)Oc2c(c(-c3ccccc3)nn2Cc2ccc(Cl)cc2)[C@@H]1c1ccc([N+](=O)[O-])cc1 1865712838 JJUUSYATMHMBHZ-JOCHJYFZSA-N 483.915 5.378 50 10 JKGE Cc1oc(-c2ccc(C(C)C)cc2)nc1CC(=O)N[C@@H](C)C(=O)Nc1ccc(SC#N)cc1 1867183794 ZARSEXSCDHJCEI-INIZCTEOSA-N 462.575 5.033 50 10 JKGE CCn1cc(/C=C2\Oc3c(ccc(OC(=O)C(Cl)Cl)c3C)C2=O)c2cc(OC)ccc21 1871386205 JLABXHUHKSFSDF-OCKHKDLRSA-N 460.313 5.304 50 10 JKGE N#C/C(=C(O)\C(=C/c1ccccc1)c1ccccc1)c1nc(-c2ccc(Cl)cc2Cl)cs1 1872745157 XKDMBBAQMLGHIE-PWJGIJTISA-N 475.400 8.150 50 10 JKGE N#C/C(=C(/O)c1ccc2c(c1)C(=O)N(Cc1ccco1)C2=O)c1nc(-c2ccc(Cl)s2)cs1 1872758108 LYHJOHWZPDXXCY-SILNSSARSA-N 493.953 5.864 50 10 JKGE COc1ccc(-c2csc(/C(C#N)=C(\O)c3ccccc3Br)n2)c(OC)c1OC 1872759105 DUIZWTXTNUBMBM-JXAWBTAJSA-N 473.348 5.548 50 10 JKGE CC(C)(SC[C@H]1C[C@@H]1Cl)[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)O 1893108435 SHKJYOZSEOWWHY-PUCZYUMASA-N 459.995 5.117 50 10 JKGE Clc1c(Br)sc(Br)c1[C@@H](Cl)c1cnsc1Br 1900418173 HNPQYMDEJYJWPA-BYPYZUCNSA-N 486.863 6.474 50 10 JKGE Cc1c(Br)sc([C@H](Cl)c2cc(Cl)ccc2Br)c1Br 1922946549 SHWPSRZFJFJPMG-SNVBAGLBSA-N 493.873 7.326 50 10 JKGE Brc1sc(Br)c([C@H](Br)[C@]23CC[C@H]2C3)c1Br 1935461451 CKPWBIMOBGDRJW-AYPRXHQESA-N 479.857 6.272 50 10 JKGE CC(C)C[C@@H]1CN(C(=O)OC(C)(C)C)CC[C@@]12CCC[C@@H](CI)O2 1944828532 QOIFOSLYBLCPOL-GJYPPUQNSA-N 451.389 5.032 50 10 JKGE Cn1nc([C@@H](Br)c2cc(Br)c(Br)s2)c(Cl)c1Cl 1945497406 IZHIBXNBIMZOHF-YFKPBYRVSA-N 483.838 5.798 50 10 JKGE CC(C)(C)CN(Cc1ccccc1)S(=O)(=O)c1cc(CCl)sc1Br 1946866288 AGHRVZKHVWYKQT-UHFFFAOYSA-N 450.851 5.486 50 10 JKGE CC(C)(C)OC(=O)NC[C@@H]1CCCC2(CCC2)[C@H]1[C@H](CBr)NC(=O)OC(C)(C)C 1975071327 LSBQLPGKFDMQGG-YESZJQIVSA-N 475.468 5.386 50 10 JKGE C[C@H]1C[C@@H]1[C@@H](Cl)c1c(Br)c(Br)cc(Br)c1Br 1995049425 ZUIMWYNZRULHSE-PIICZHFCSA-N 496.262 6.673 50 10 JKGE Cl[C@H](CC1CCOCC1)c1c(Br)sc(Br)c1Br 2003877866 PQTWOUMZUNBJEV-SSDOTTSWSA-N 467.448 6.132 50 10 JKGE CCN(C[C@](C)(CI)O[C@@H]1CCC[C@@H](C)[C@@H]1C)C(=O)OC(C)(C)C 2022947718 MOAZCGUOPUUSNE-OLMMMNRUSA-N 453.405 5.278 50 10 JKGE Brc1sc([C@@H](Br)c2ccc(I)cc2)cc1C1CC1 2033644247 YYMHZHGVXVSKEM-ZDUSSCGKSA-N 498.021 6.477 50 10 JKGE Cc1csc([C@@H](Br)c2cc(C3CC3)c(Br)s2)c1Br 2039332025 HYSAPVYJPUUVMD-NSHDSACASA-N 471.077 7.005 50 10 JKGE Fc1ccc(I)cc1[C@H](Br)Cc1ccc(Br)cc1 2050467371 LDYGSGCXLPZAFF-CYBMUJFWSA-N 483.944 5.872 50 10 JKGE CCC12COC([C@H](Cl)c3c(Br)sc(Br)c3Br)(C1)C2 2084484647 UUTZBBMSCFJGHP-HUUUCTMMSA-N 479.459 6.275 50 10 JKGE CC1(C)CCN(Cc2ccc(Br)cc2Br)C[C@H]1CBr 2092259797 BBLNZBJJOPKJLN-GFCCVEGCSA-N 454.044 5.455 50 10 JKGE CN(C(=O)c1scc(Br)c1Br)[C@@H]1CCCCC[C@H]1Br 2115909279 AJFGKMAFEHGXTG-PSASIEDQSA-N 474.056 5.441 50 10 JKGE Fc1cc(Br)c([C@H](Cl)c2cc(Br)c(Cl)s2)c(F)c1F 2115930855 PYDVYLACRYHOAT-MRVPVSSYSA-N 454.920 6.672 50 10 JKGE FC(F)(F)[C@H]1C[C@@H]1COc1c(Br)cc(Br)cc1CBr 2128746727 GWUHLOZLIMBSGJ-APPZFPTMSA-N 466.917 5.684 50 10 JKGE BrCc1cc(Br)cc(Br)c1OC[C@@H]1[C@H]2C[C@@H]3[C@H]1[C@@H]3C2 2134436987 KCAAXUHHDPVWOD-CMJKDKDHSA-N 450.996 5.387 50 10 JKGE CCCOC1([C@H](Br)c2c(C)c(Br)cc(C)c2Br)CC1 2136378142 UNZDAOMRCUMDFG-CQSZACIVSA-N 455.028 6.224 50 10 JKGE CO[C@@H]1CC[C@@H]1C[C@@H](Br)c1c(C)c(Br)cc(C)c1Br 2136380269 SWPRURJOUOUDJH-RAIGVLPGSA-N 455.028 6.080 50 10 JKGE Cc1c(Br)ccc([C@H](Br)[C@@H]2C[C@H]3CCCC[C@H]32)c1Br 2138864583 ORYZSXYMQDXZCB-MSIPSHCFSA-N 451.040 6.782 50 10 JKGE Brc1ccc(Br)c([C@H](Br)[C@H]2C[C@H]3COC[C@H](C3)C2)c1 2141799471 LHCQRGLUAOCVPL-JNIYBQFBSA-N 453.012 5.710 50 10 JKGE Cc1cc([C@H](Br)c2ccc(I)c(C)c2)c(Cl)cc1F 2142140245 HLIWTPGQJHPONX-OAHLLOKOSA-N 453.520 6.185 50 10 JKGE O=C(NC[C@@H]1CCC[C@@H](CBr)C1)c1c(Br)cccc1Br 2150489334 BJJVINAWNXZQQS-GHMZBOCLSA-N 468.027 5.143 50 10 JKGE C[C@@H]1CCO[C@@H]1CCC(CBr)(CBr)c1ccc(Br)cc1 2157325222 CDEZBOXBPDFQQH-IUODEOHRSA-N 469.055 5.682 50 10 JKGE CCc1cc([C@H](Br)c2ccc(I)c(Cl)c2)c(F)cc1F 2175377711 ZZGSTCAVEJBRCW-OAHLLOKOSA-N 471.510 6.270 50 10 JKGE CN(CCCCCn1c(CCl)nc2cc(Br)c(F)cc21)Cc1ccccc1 2184095297 PXQGJTSCERHATA-UHFFFAOYSA-N 452.799 5.979 50 10 JKGE BrCC(CBr)(C[C@@]12CC[C@@H](CO1)C2)c1ccc(Br)cc1 2193352100 LEHSHMFIDMKYJK-WBMJQRKESA-N 467.039 5.436 50 10 JKGE Cc1cc(Br)c(C)c([C@H](Br)C2CC(C(C)(C)C)C2)c1Br 2201074598 BHSYFEZAUBZJBU-ZEPSKSRBSA-N 467.083 7.337 50 10 JKGE COc1c(C)cc(Br)cc1[C@H](Br)c1cc(C)cc(Br)c1 2206599630 VNOOXQNYCVYPRZ-OAHLLOKOSA-N 463.007 6.321 50 10 JKGE FC(F)(F)[C@@]1(CBr)CCN(Cc2ccc(I)c(Cl)c2)C1 2208037542 XKYRDNSILGTSOO-GFCCVEGCSA-N 482.509 5.094 50 10 JKGE Brc1cscc1[C@@H](Br)c1ccc2c(c1Br)CCO2 2222195288 JCCQTEICOFBYSJ-ZDUSSCGKSA-N 452.993 5.692 50 10 JKGE Cc1cc(Br)c([C@H](Br)C(C)(C)S(C)(=O)=O)c(C)c1Br 2227351678 NVFLXQZVPJKLAG-LBPRGKRZSA-N 477.056 5.088 50 10 JKGE Cc1cc([C@H](Br)c2c(C)sc(Br)c2C)cc(C)c1Br 2227423955 DFSJDBABUKZGDX-AWEZNQCLSA-N 467.064 6.991 50 10 JKGE Cc1cc([C@H](Cl)c2c(Br)cc(C)c(Br)c2C)ccc1Br 2235604559 OHJGLTBBQPOTAX-INIZCTEOSA-N 481.453 7.228 50 10 JKGE Cc1cc(Br)c([C@H](Br)[C@@H]2C[C@@H]3C[C@H]3C[C@H]2C)c(C)c1Br 2235615319 QFBINHOKLZFQTR-HSCNXDHFSA-N 465.067 6.947 50 10 JKGE Cc1cc(Br)ccc1[C@@H](Br)c1c(F)cc(F)c(Br)c1F 2236108297 GUBKQHZLPIZLLS-GFCCVEGCSA-N 472.924 6.422 50 10 JKGE Fc1cc(Cl)c([C@@H](Br)Cc2ccc(Br)cc2Cl)cc1Cl 2237458743 SMFZGYGWYGUDBV-JTQLQIEISA-N 461.383 7.227 50 10 JKGE Cl[C@@H](Cc1cc(Br)cc(Br)c1)c1csc(Br)c1 2252829656 LMKNNBIVEKPDPT-NSHDSACASA-N 459.428 6.558 50 10 JKGE Cc1cc(Br)c([C@@H](Cl)c2cc(I)sn2)c(C)c1F 2253513263 QETGCJFCPMWQAP-NSHDSACASA-N 460.537 5.594 50 10 JKGE COC1([C@H](Br)c2c(Br)sc(Br)c2Cl)CC(CF)C1 2255036709 BGYGCBKEJWHSCZ-GBZMYTLWSA-N 485.438 6.127 50 10 JKGE Fc1cc([C@H](Br)c2ccc(Br)cc2)c(Cl)cc1Br 2255968881 AZBQWGFSEBQVPE-CYBMUJFWSA-N 457.362 6.488 50 10 JKGE COc1ccc([C@H](Br)c2cc(Br)co2)c(Br)c1Cl 2258149179 UOHHJWVIQWLLNG-JTQLQIEISA-N 459.359 5.951 50 10 JKGE CC1(C)[C@H]2CC[C@@H](C2)[C@]1(CI)OC1CCN(Cc2ccccc2)CC1 2259464985 TWUHRPPFIUPTJR-IPJJNNNSSA-N 453.408 5.298 50 10 JKGE Cc1cc([C@H](Cl)Cc2cc(Br)cc(Br)c2)sc1Br 2263446143 JNLBGWNEBMPMCI-LLVKDONJSA-N 473.455 6.867 50 10 JKGE COc1ccc([C@@H](Br)c2cc(Br)c(C)s2)c(Br)c1Cl 2268262001 PDRSGJZUAXTQPL-LLVKDONJSA-N 489.454 6.728 50 10 JKGE CCN[C@@H](c1c(F)cc(Br)c(F)c1Br)C1CC(Br)C1 2272748756 YYEANLVRNNMZMP-HKSSTPRTSA-N 461.970 5.314 50 10 JKGE Fc1cc(C[C@@H](Br)c2c(Br)cccc2Br)ccc1Cl 2277801132 KCMPXFNVMZVVGI-LLVKDONJSA-N 471.389 6.683 50 10 JKGE CCOc1cc(C=C(C#N)C(=O)NCc2ccco2)ccc1OCCOc1ccc([C@H](C)CC)cc1 2293273345 NGICOQBISPYQOT-OAQYLSRUSA-N 488.584 5.873 50 10 JKGE CCOc1ccc(NC(=O)C(C#N)=Cc2cn(Cc3cccc4ccccc34)c3ccccc23)cc1 2294168433 KLXAPLPXEANKQI-UHFFFAOYSA-N 471.560 6.787 50 10 JKGE Cc1ccc(NC=C(C#N)c2nc(-c3cc4c(ccc5ccccc54)oc3=O)cs2)cc1Cl 2295891588 UZMKJPAMEPATAX-UHFFFAOYSA-N 469.953 7.008 50 10 JKGE CC(C)c1ccc(C=C(C#N)C(=O)Nc2ncc(Cc3ccc(Cl)cc3Cl)s2)cc1 2296819182 NVESBZDUGVDUBY-UHFFFAOYSA-N 456.398 6.710 50 10 JKGE CCc1cccc(C)c1NC(SCc1cccc(C)c1)=C(C#N)S(=O)(=O)c1ccccc1 2297350051 QFPQHACYTFYOQU-UHFFFAOYSA-N 462.640 6.378 50 10 JKGE N#CC(=Cc1ccc(OCc2cccc([N+](=O)[O-])c2)c(Br)c1)c1ccc(C(=O)O)cc1 2297379331 OLHINPUNNJYDPM-UHFFFAOYSA-N 479.286 5.699 50 10 JKGE Cc1cc([N+](=O)[O-])ccc1NC(=O)C(C#N)=Cc1ccc(-c2ccc(Br)cc2)o1 2297551388 HDOPSAYHIBQMLL-UHFFFAOYSA-N 452.264 5.471 50 10 JKGE CO[C@@H]1CC[C@@H]([C@@H](Br)c2ccc(OCc3ccccc3)cc2Br)C1 2299493663 HCWQOGCHOZOVEY-JXXFODFXSA-N 454.202 6.279 50 10 JKGE FC1(F)[C@H]([C@@H](Br)c2ccc(OCc3ccccc3)cc2Br)C12CC2 2299507347 FMQIIZVKSLXGBE-DLBZAZTESA-N 458.140 6.509 50 10 JKGE FC1(F)CCC[C@@H]2[C@@H]([C@H](Br)c3sc(Br)cc3Br)[C@@H]21 2309469480 BLDFJBTYSKUREH-KBHCAIDQSA-N 464.995 6.391 50 10 JKGE Cc1cccc(COc2ccc(Br)cc2C=C(C#N)C(=O)Nc2cccc(Cl)c2)c1 2313631910 YUAPPAZXWFOVBW-UHFFFAOYSA-N 481.777 6.536 50 10 JKGE C[C@@H]1Oc2ccccc2C=C1C=C(C#N)c1nc(-c2ccccc2)c(NC(=O)c2cccs2)s1 2314433293 LUOSCJMMDVJFNG-KRWDZBQOSA-N 481.602 6.895 50 10 JKGE CSc1ccccc1[C@H](Br)c1ccc(OCc2ccccc2)cc1Br 2314450085 VYMBAJVVCSQXKZ-OAQYLSRUSA-N 478.249 7.234 50 10 JKGE Cc1cccn2c(=O)c(C=C(C#N)C(=O)Nc3ccc(Cl)cc3)c(Oc3ccccc3F)nc12 2314533937 VLCUIZRYPQYNDG-UHFFFAOYSA-N 474.879 5.133 50 10 JKGE Cc1ccc(C)c(NC(=O)C(C#N)=Cc2c(Oc3ccc(Cl)cc3)nc3c(C)cccn3c2=O)c1 2314534003 VXXHFDRBNGBGHI-UHFFFAOYSA-N 484.943 5.611 50 10 JKGE CCOC(=O)c1c(NC(=O)C(C#N)=Cc2ccc(-c3ccccc3)o2)sc2c1CC[C@H](C)C2 2314571088 BFRFFLPYKWTZNC-INIZCTEOSA-N 460.555 5.855 50 10 JKGE COc1ccc(N2C(=O)[C@@H](Cc3ccc(C)c(C)c3)SC2=C(C#N)C(=O)Nc2ccc(C)cc2)cc1 2314592571 XXCKQXHDUJUAEQ-AREMUKBSSA-N 497.620 5.685 50 10 JKGE COc1cc(C=C(C#N)c2ccc(Cl)cc2)ccc1OC(=O)c1ccc(Cl)c(Cl)c1 2314720651 WRCCFPKVOABKMT-UHFFFAOYSA-N 458.728 6.939 50 10 JKGE CCCCCCOc1ccc(C=C(C#N)C(=O)Nc2c(C(C)C)cccc2C(C)C)cc1OC 2314729088 VDWDBBJDOUIEIK-UHFFFAOYSA-N 462.634 7.447 50 10 JKGE CC[C@H](NC=C(C#N)C(=O)N[C@@H](CC)c1ccc2c(c1)CCCC2)c1ccc2c(c1)CCCC2 2325079369 HDNBQYVFMLDCJF-VMPREFPWSA-N 455.646 6.160 50 10 JKGE CCOC(=O)c1c(-c2ccc(CC)cc2)csc1NC(=O)C(C#N)=Cc1ccc(OC)c(OC)c1 2329703158 LCLFQFGXZDAKKR-UHFFFAOYSA-N 490.581 5.717 50 10 JKGE CCCCc1ccc(-c2csc(C(C#N)=C(O)[C@@H]3CC(=O)N([C@H](C)c4ccccc4)C3)n2)cc1 2331255994 MLSCTQKRUWYZBP-AUSIDOKSSA-N 471.626 6.555 50 10 JKGE Cc1ccc(-c2csc(C(C#N)=C(O)c3ccc(N4C(=O)c5ccccc5C4=O)cc3)n2)cc1 2331312311 GQDIQRNHJDROFT-UHFFFAOYSA-N 463.518 5.869 50 10 JKGE CCOc1ccc(CCC(O)=C(C#N)c2nc(-c3ccc(OC)cc3OC)cs2)cc1OC 2331386889 YQQOKYIMXYGQQJ-UHFFFAOYSA-N 466.559 5.660 50 10 JKGE FC1(F)CCC[C@@H]2[C@H]([C@H](Br)c3cc(Br)ccc3OCc3ccccc3)[C@H]21 2336038330 MKJRODWKJKCEGF-XFWGSAIBSA-N 486.194 7.146 50 10 JKGE Fc1c(Br)cc(Cl)c([C@@H](Br)c2cccc(Cl)c2)c1Br 2337091600 CXIQNBDWDVPNTL-NSHDSACASA-N 491.807 7.142 50 10 JKGE Fc1c(Br)cc(Cl)c([C@@H](Br)[C@@H]2CC[C@@H]3C[C@@H]3C2)c1Br 2337105131 UQKWYWGIPDLMST-ASSXTNMASA-N 475.421 6.876 50 10 JKGE COc1c(Br)cc(C)c([C@@H](Br)c2coc(C)c2)c1Br 2339662426 LIHJCEVEXUPJOY-LBPRGKRZSA-N 452.968 5.914 50 10 JKGE Cc1scc([C@@H](Cl)c2c(Br)cc(Cl)c(Cl)c2Cl)c1Br 2343565694 ZSXHXGXELKZYHE-SNVBAGLBSA-N 483.867 7.870 50 10 JKGE CCO[C@@H]1CC[C@@H]([C@@H](Br)c2c(Cl)cc(Br)c(F)c2Br)C1 2362235575 MWANPZPBUKZPBS-DNSOKLHBSA-N 493.436 6.645 50 10 JKGE Cc1cc([C@H](Br)c2c(Cl)cc(Br)c(F)c2Br)ccc1F 2362254708 MYROALIJBYCWHU-LBPRGKRZSA-N 489.379 6.936 50 10 JKGE CO[C@]1(C(F)F)C[C@H]([C@H](Br)c2cc(Br)c(Br)cc2F)C1 2368965006 PTIBXQUWNPPTDX-PFXKUOPQSA-N 480.944 5.847 50 10 JKGE Cc1cc(Br)c(F)c(Br)c1[C@H](Br)[C@H]1CC[C@@H]1C(C)(C)C 2369053016 DWFWOMROFIAYTJ-OUJBWJOFSA-N 471.046 7.167 50 10 JKGE COc1ncc(Br)c(C)c1C[C@H](Br)c1ccccc1Br 2370560574 HUPYRONMOPJLCW-ZDUSSCGKSA-N 463.995 5.602 50 10 JKGE COc1ccc(/C(C#N)=C\c2ccc(OC(=O)c3ccc(Cl)c(Cl)c3)c(OC)c2)cc1OC 31902049 VAMUPSYKDQJPFB-ZDLGFXPLSA-N 484.335 6.303 50 10 JKGE COc1cc(/C=C(/C#N)c2ccc(Cl)cc2)ccc1OC(=O)c1c(Cl)ccc(Cl)c1Cl 33377236 JPDQTEDVUILIOC-GDNBJRDFSA-N 493.173 7.592 50 10 JKGE CCCCCOC(=O)c1ccc(NC(=O)/C(C#N)=C\c2ccc(-c3cccc([N+](=O)[O-])c3)o2)cc1 33679091 HDJBJJKAOVWXKG-SILNSSARSA-N 473.485 5.747 50 10 JKGE COc1ccccc1[C@@H]1C(C#N)=C(N)Oc2cc(OC(=O)[C@@H](C)Oc3ccc(C(C)C)cc3)ccc21 38650084 CGRBEIUEAMXSSU-CLYVBNDRSA-N 484.552 5.410 50 10 JKGE N#CC1=C(N)Oc2cc(OC(=O)COc3ccc(Cl)cc3Cl)ccc2[C@H]1c1cccc(F)c1 38677870 AIKRRVQWJMYJFD-HSZRJFAPSA-N 485.298 5.335 50 10 JKGE CCCOc1ccccc1[C@@H]1C(C#N)=C(N)Oc2cc(OC(=O)c3oc4ccc(F)cc4c3C)ccc21 38700653 LLUNNJNBEVJHBC-SANMLTNESA-N 498.510 6.107 50 10 JKGE CCCc1ccc(OCC(=O)N/N=C/c2ccccc2OCc2ccccc2)c(Br)c1 40960146 HEJGQEUXNNZNFB-JVWAILMASA-N 481.390 5.510 50 10 JKGE CCCN(CCC)c1ccc(C(=O)N/N=C/c2cc(C(C)(C)C)c(O)c(C(C)(C)C)c2)cc1 59165975 RIZNSIHXJOWCKI-VUTHCHCSSA-N 451.655 6.378 50 10 JKGE CCCCC1CCC(C(=O)Nc2ccc(C[C@@H](Br)CCC)cc2OCC)CC1 71436506 ZHKVGNXPUNGBCX-MNLRITNHSA-N 452.477 7.127 50 10 JKGE BrC[C@@H](CCOc1ccc(Br)cc1)Cc1ccc(Br)cc1 97183249 MIOOOCNLCPRKJN-AWEZNQCLSA-N 477.034 6.234 50 10 JKGE N#C/C(=C(/O)c1ccccc1C(=O)c1ccc(Cl)cc1)c1nc2cc(C(F)(F)F)ccc2s1 101018217 MGHGRPTUCIEUFD-PYCFMQQDSA-N 484.886 7.149 50 10 JKGE CCc1ccc(-c2csc(/C(C#N)=C\Nc3ccc(Cl)cc3C(=O)c3ccccc3)n2)cc1 102416396 SGKLSCVLHNSHEH-PGMHBOJBSA-N 469.997 7.233 50 10 JKGE C/C(=N/NC(=O)c1cccc(S(=O)(=O)Nc2ccc(C)cc2C)c1)c1ccc2ccccc2c1O 102981928 SARUQLAFZYJYIU-USHMODERSA-N 487.581 5.117 50 10 JKGE COC(=O)c1cccc(Cn2cc(/C=C(\C#N)C(=O)Nc3ccc(OC)cc3)c3ccccc32)c1 107858892 VHFHTLOKMVJCEK-RCCKNPSSSA-N 465.509 5.030 50 10 JKGE FC(F)(F)c1ccc([C@@H](Br)c2cc(Br)ccc2Br)cc1 109844734 XNUCSTYBQCCEEC-CYBMUJFWSA-N 472.924 6.715 50 10 JKGE BrCC(CBr)(CCc1cccs1)c1ccccc1Br 118672028 VTETWUQSAHHXAN-UHFFFAOYSA-N 467.064 6.171 50 10 JKGE Clc1ccccc1[C@@H](CI)OCc1ccccc1Br 162559308 FCIJCYHNZCZXNR-OAHLLOKOSA-N 451.529 5.795 50 10 JKGE Brc1cc([C@@H](Br)[C@@H]2C[C@@H]2c2ccccc2)sc1Br 164427809 CDVKPLVVYWAMGP-BREBYQMCSA-N 451.021 6.513 50 10 JKGE COc1ccc([C@H](C)NC(=O)/C(C#N)=C\Nc2cc(C(F)(F)F)cc(C(F)(F)F)c2)cc1OC 217173998 ODEITOIIZCUFNL-PBBNAPBQSA-N 487.400 5.438 50 10 JKGE Cc1ccc2nc(-c3ccc(N/C=C(/C#N)C(=O)N(Cc4ccccc4)C(C)C)cc3)sc2c1 217187024 LIBBFHALAIXTEH-QJOMJCCJSA-N 466.610 6.528 50 10 JKGE Cc1cc([C@@H](Br)c2cccc(C)c2I)sc1Br 235867047 QXCAAHIFZMBZKY-NSHDSACASA-N 486.010 6.216 50 10 JKGE Clc1ccc([C@H](Br)c2cc(Br)ccc2I)s1 236066193 JGTDIPJMXFHSOE-LLVKDONJSA-N 492.401 6.253 50 10 JKGE CCOc1ccc(-c2cc(C(=O)NN=C(CC)c3ccc(Cl)s3)c3ccccc3n2)cc1 252624912 PXZJOMPCSUKGFH-UHFFFAOYSA-N 463.990 6.560 50 10 JKGE CCCCOc1ccc(C(=O)NN=Cc2cn(-c3ccccc3)nc2-c2ccc(OCCC)cc2)cc1 254735005 RGFRYCIZQYSNLF-UHFFFAOYSA-N 496.611 6.271 50 10 JKGE C[C@H](CC(=O)OCC(=O)N(N=Cc1ccccc1)c1cccc(C(F)(F)F)c1)c1ccccc1 254792334 VPUOCQQMKKLHBC-LJQANCHMSA-N 468.475 5.810 50 10 JKGE Fc1ccc(COc2c(Br)cc(Br)cc2CBr)cc1 311840912 MNMMURUKSGHDEL-UHFFFAOYSA-N 452.943 5.825 50 10 JKGE Cc1cc(C)c([C@@H](Br)Cc2cccc(Br)c2)c(C)c1Br 312536012 HSUBBVATQRASMW-HNNXBMFYSA-N 461.035 6.816 50 10 JKGE Fc1c(Br)cccc1[C@H](Cl)c1cc(I)cc2c1OCC2 380038866 YBXIHVLREVDRRV-ZDUSSCGKSA-N 467.503 5.456 50 10 JKGE CC(C)(C)OC(=O)N1C[C@@H](CI)[C@@H](c2cc(Cl)cc(Cl)c2O)C1 382727109 RDLPWMADKAPYID-SKDRFNHKSA-N 472.150 5.085 50 10 JKGE Clc1ccc(Br)c(C[C@H](CBr)c2ccccc2Br)c1 388775595 PRCROWZTCWMBNU-LLVKDONJSA-N 467.426 6.586 50 10 JKGE C[C@H](Cl)c1nc2cc(I)ccc2n1CC1CCN(Cc2ccccc2)CC1 397555781 LTXZCNHXNWUZSB-INIZCTEOSA-N 493.820 5.853 50 10 JKGE C[C@H](Cl)c1nc2cc(I)ccc2n1C1[C@@H]2CN(Cc3ccccc3)C[C@@H]12 398403069 CQHHSCFRXXCZOM-IAOVAPTHSA-N 477.777 5.244 50 10 JKGE CC(C)(C)[Si](C)(C)OCC[C@H]1CN(CCO[Si](C)(C)C(C)(C)C)c2ccccc2N1 616684740 NGOJLJMIRACEQX-FQEVSTJZSA-N 450.816 6.721 50 10 JKGE CC(C)(C)OC(=O)N1c2ccccc2NC[C@@H]1c1ccccc1CCO[Si](C)(C)C(C)(C)C 616691400 JSFBYCAIDFZYMM-XMMPIXPASA-N 468.714 7.159 50 10 JKGE CCOc1ccc(Br)cc1[C@H](Br)Cc1ccccc1Br 692448590 MXIFKHTVYKUJEI-OAHLLOKOSA-N 463.007 6.289 50 10 JKGE CCc1ccc([C@H](Br)c2scc(Br)c2Br)cc1CC 705445986 BFLHPIGUWAOWOB-ZDUSSCGKSA-N 467.064 6.882 50 10 JKGE FC(F)(F)C(F)(F)C[C@@H](Br)c1cc(Br)c(Br)s1 713274127 HHMJGDKSLZGHEV-SCSAIBSYSA-N 466.889 6.297 50 10 JKGE O=[N+]([O-])c1ccc(C[C@@H](Br)c2cccc(F)c2I)cc1 721735157 FDSDDWFJORYHCH-GFCCVEGCSA-N 450.045 5.017 50 10 JKGE Cc1cccc(NC(=O)/C(C#N)=C\c2cc(Cl)ccc2OCc2cccc3ccccc23)c1 725415143 COSOZENDFYMSNU-HAHDFKILSA-N 452.941 6.926 50 10 JKGE CCOc1ccc(C(=O)NN=Cc2c(OCc3ccccc3Cl)ccc3ccccc23)cc1 1083994014 YJVQYBJDAYHFBH-UHFFFAOYSA-N 458.945 6.235 50 10 JKGE N#C/C(=C/c1ccc(OCc2ccc(Cl)c(Cl)c2)cc1)C(=O)Nc1cccc2ccccc12 1084030916 GRNQEFGZEMZZTC-STZFKDTASA-N 473.359 7.271 50 10 JKGE Cc1cc(/C=C(\C#N)C(=O)Nc2cccc(Cl)c2Cl)c(C)n1-c1ccc2ccccc2c1 1084066288 ORKFWZXNXMHCOY-FYJGNVAPSA-N 460.364 7.100 50 10 JKGE CCOc1cc(C=NNC(=O)c2ccc(Cl)c(Cl)c2)ccc1OCc1ccccc1Cl 1084227231 PCRZMAMUZMAOJW-UHFFFAOYSA-N 477.775 6.388 50 10 JKGE Cc1ccccc1-n1c(C)cc(C=NNC(=O)c2ccc(CSc3ccccc3)cc2)c1C 1084321011 OQPOFQPRMASYHO-UHFFFAOYSA-N 453.611 6.459 50 10 JKGE Cc1cc(C=NNC(=O)CCSc2ccccc2)c(C)n1-c1cccc(Br)c1 1084517705 IQHPNBFHCWRKIF-UHFFFAOYSA-N 456.409 5.489 50 10 JKGE C=CCc1cc(/C=C(\C#N)C(=O)Nc2ccc(C)cc2)cc(OCC)c1OCc1ccc(C)cc1 1084575173 NVJWFFQNAQLQNM-YZSQISJMSA-N 466.581 6.555 50 10 JKGE Cc1c(C(=O)Nc2cccc3ccccc23)oc2c1C(=NNC(=O)c1ccc(Cl)cc1)CCC2 1772744452 XOMLKGBJIWSINP-UHFFFAOYSA-N 471.944 6.117 50 10 JKGE O=C(CSc1nc2ccccc2[nH]1)NN=Cc1cccc(OCc2ccccc2Cl)c1 1772760314 BCBBBIWEXOMCLW-UHFFFAOYSA-N 450.951 5.038 50 10 JKGE COc1cc(C=NNC(=O)CSc2nc3ccccc3s2)ccc1OCc1cc(C)cc(C)c1 1772760349 FHRBSJNFVKZFKV-UHFFFAOYSA-N 491.638 5.743 50 10 JKGE CCCCCOc1ccc([C@H]2C(C#N)=C(N)Oc3c2c(C)nn3Cc2ccccc2Cl)cc1 1865689878 FPOADTIQQJYCQC-DEOSSOPVSA-N 462.981 5.680 50 10 JKGE CCCCOc1ccc([C@H]2C(C#N)=C(N)Oc3c2c(C)nn3-c2ccc(Cl)c(Cl)c2)cc1 1865691879 DDDIVLXRUQFOKS-QFIPXVFZSA-N 469.372 5.885 50 10 JKGE CCCc1nn(-c2ccccc2Cl)c2c1[C@H](c1ccc(N(CC)CC)cc1)C(C#N)=C(N)O2 1865702549 WROXDSCRGWWQGC-HSZRJFAPSA-N 461.997 5.543 50 10 JKGE CCCc1nn(CCC)c2c1[C@H](c1ccc(N(CC)Cc3ccccc3)cc1)C(C#N)=C(N)O2 1865706976 KHQLVMWNAULSSV-RUZDIDTESA-N 455.606 5.490 50 10 JKGE CCCn1nc(-c2ccccc2)c2c1OC(N)=C(C#N)[C@H]2c1cccc(OCc2ccccc2)c1 1865711878 KKGRHMDTQRGYDT-RUZDIDTESA-N 462.553 5.757 50 10 JKGE COc1ccc(-c2nn(-c3cccc4ccccc34)c3c2[C@@H](c2ccccc2C)C(C#N)=C(N)O3)cc1 1865712921 MAWRCPXMJYQLQQ-MHZLTWQESA-N 484.559 6.228 50 10 JKGE COc1cc(C)c(-c2csc(/C(C#N)=C(\O)c3ccc(Cl)c(Cl)c3)n2)cc1C(C)C 1872753548 CLTJPKYSGYORHG-XLNRJJMWSA-N 459.398 7.507 50 10 JKGE COc1ccccc1OC/C(O)=C(\C#N)c1nc(-c2cc(C(C)C)c(OC)cc2C)cs1 1872753967 WNBAIOLESDFQMV-VZCXRCSSSA-N 450.560 6.131 50 10 JKGE COc1cc(C)c(-c2csc(/C(C#N)=C(\O)c3ccc(N(C)C)c([N+](=O)[O-])c3)n2)cc1C 1872757892 AVEKILPJMROUNS-XLNRJJMWSA-N 450.520 5.360 50 10 JKGE CCCCc1ccc(N2C[C@H](/C(O)=C(\C#N)c3nc(-c4ccc(Cl)s4)cs3)CC2=O)cc1 1872758323 UZHGTXYEXXPZCC-PDNPPFGYSA-N 484.046 6.713 50 10 JKGE COc1ccc(-c2csc(/C(C#N)=C(\O)c3cc([N+](=O)[O-])ccc3Cl)n2)c2ccccc12 1872758623 ISMRDCMMZIPUQD-PYCFMQQDSA-N 463.902 6.483 50 10 JKGE COc1cc(/C=C(\C#N)c2nc(-c3cccs3)cs2)ccc1OCCCc1ccccc1 1872791313 CVWZPDISJCPUCU-RCCKNPSSSA-N 458.608 6.956 50 10 JKGE Cc1ccccc1COc1ccc(/C=C(\C#N)c2nc(-c3ccc4c(c3)OCCO4)cs2)cc1 1872792404 WTKYPYGUYBKSIK-OEAKJJBVSA-N 466.562 6.533 50 10 JKGE CCOc1ccc(/C=C(\C#N)c2nc(-c3ccc(Oc4ccccc4)cc3)cs2)cc1OC 1872793306 SRHIWMVGVQJUPA-RCCKNPSSSA-N 454.551 7.074 50 10 JKGE CCOc1cc(/C=C(\C#N)c2nc(-c3ccc(F)c(F)c3)cs2)ccc1OCc1ccccc1 1872793417 YYWSVHCWMSMCQG-CIAFOILYSA-N 474.532 7.130 50 10 JKGE COc1ccc(-c2csc(/C(C#N)=C/c3ccc(OCc4ccc(C)cc4)cc3)n2)c(OC)c1 1872793502 CSMKTWWDAHSKSF-HYARGMPZSA-N 468.578 6.779 50 10 JKGE COc1ccc(-c2csc(/C(C#N)=C/c3ccc(OCc4ccccc4C)cc3)n2)c2ccccc12 1872795098 NBHZHKZANPWLPI-JJIBRWJFSA-N 488.612 7.924 50 10 JKGE CC[C@H](Cl)CN(Cc1ccccc1)C(=O)c1cc(Br)ccc1Br 1915113285 JAFRQNOIPZGIQM-HNNXBMFYSA-N 459.609 5.871 50 10 JKGE O=C(c1cccc(OCc2ccccc2)c1)N(Cc1ccccc1)[C@@H](CBr)C1CC1 1915311100 DJMJUIXFFIHUTM-VWLOTQADSA-N 464.403 6.082 50 10 JKGE CC(C)(CCl)N(Cc1ccccc1)S(=O)(=O)c1cc(Br)ccc1Br 1915750052 ROCBQSXWSOUVDG-UHFFFAOYSA-N 495.664 5.420 50 10 JKGE Brc1nscc1[C@H](Br)c1ccc(Br)c2ccccc12 1925249888 FCTPOOGTQQFVHW-CYBMUJFWSA-N 462.004 6.306 50 10 JKGE C[C@H]1CN(Cc2ccccc2)[C@H](C)CN1c1cccc(Br)c1CBr 1946773169 QYBWEANLRUFNMW-CVEARBPZSA-N 452.234 5.443 50 10 JKGE Cl[C@H](c1c(Br)sc(Br)c1Br)[C@@H]1C[C@]12CCOC2 1950631855 QDAHDWAUDFLWMS-UPIMIWRCSA-N 465.432 5.742 50 10 JKGE CC(C)(C)OC(=O)Nc1c(Br)cc(Br)cc1CCCBr 1951448971 TXALOWJZZFEMFN-UHFFFAOYSA-N 472.015 5.886 50 10 JKGE Cc1sc(Br)c([C@H](Br)c2sccc2I)c1C 1993987922 IUJXHXBWBRZANN-VIFPVBQESA-N 492.039 6.278 50 10 JKGE CCc1nc([C@H](Br)c2cc(Cl)c(Br)s2)c(Br)s1 2003570380 SUINRUSOEDRINS-SSDOTTSWSA-N 480.472 6.430 50 10 JKGE CCCN[C@H](c1c(Br)sc(Br)c1Cl)[C@H]1C[C@H]1Br 2020191454 XXRQNXNBUNKPMB-MYINAIGISA-N 466.464 5.751 50 10 JKGE Clc1c(Br)sc(Br)c1[C@H](Br)C1COCCOC1 2024260258 RFDDAQFKPKVSEM-SSDOTTSWSA-N 469.420 5.026 50 10 JKGE CCc1cc(Br)c([C@H](Cl)c2cc(Cl)ccc2I)s1 2029240432 WUHWZTSZIBBYJQ-GFCCVEGCSA-N 476.004 6.659 50 10 JKGE Cc1cccc([C@H](Br)c2c(Br)sc(C)c2C)c1Br 2082883547 GKSHVCUJDJXXFH-ZDUSSCGKSA-N 453.037 6.683 50 10 JKGE Cc1cc(Br)ccc1[C@H](Cl)c1ccc(Br)cc1Br 2083322578 UIYCNWQOUCTIEE-AWEZNQCLSA-N 453.399 6.611 50 10 JKGE Brc1ccc([C@H](Br)c2cc3sccc3s2)c(Br)c1 2083341199 YCQAMJGNPWSIAU-ZDUSSCGKSA-N 467.045 6.972 50 10 JKGE Brc1ccc(CN2[C@H]3CCC[C@@H](Br)[C@H]2CC3)c(Br)c1 2097811844 NWBQIFGTTWXZOM-GZBFAFLISA-N 452.028 5.492 50 10 JKGE C[C@H]1CN(Cc2ccccc2)C[C@@H](C)CN1c1c(CCl)ccc(Br)c1Cl 2098117283 NXFSODYIOLRVFY-CVEARBPZSA-N 456.255 6.188 50 10 JKGE Clc1cc(Br)cc(CC[C@H](Br)c2cccc(Br)c2)c1 2113451000 YXRWJXHLYFWAMS-HNNXBMFYSA-N 467.426 6.934 50 10 JKGE Brc1cccc(C[C@@H]2C[C@H](Br)CC3(CCC3)C2)c1Br 2127179214 WINOKZUVMAZJQZ-YPMHNXCESA-N 451.040 6.488 50 10 JKGE Cc1cc(Br)c(C)c([C@H](Br)[C@@H](C)C2CCCC2)c1Br 2136373228 AUMHVLAKFXQBCA-MGPLVRAMSA-N 453.056 7.091 50 10 JKGE Cn1cc([C@@H](Br)c2c(Br)cc(F)c(Cl)c2F)nc1Br 2136958343 IVDILIZDPZCUEI-MRVPVSSYSA-N 479.344 5.361 50 10 JKGE CC(C)c1ccc([C@@H](Br)c2ccc(Br)cc2I)cc1 2142287362 MMYICJRBMKFRRO-MRXNPFEDSA-N 494.008 6.661 50 10 JKGE FC1(F)C[C@]12CCC[C@@H]([C@H](Br)c1c(Cl)sc(Br)c1Cl)C2 2156116510 LGNWMSZNFZHKHF-UTMSNSNXSA-N 469.016 7.469 50 10 JKGE CC(C)(C)OC(=O)N1CCC([S@](C)(=O)=NCCCCCCCCCBr)CC1 2163064789 VWYPCGBVJNOAMH-MHZLTWQESA-N 467.514 5.609 50 10 JKGE CC(C)(C)[C@H]1[C@@H](Br)CCN1C(=O)c1c(Br)cccc1Br 2185113902 MWLDPEBTCWMEAI-WCQYABFASA-N 468.027 5.236 50 10 JKGE Cl[C@H](c1ccc(Br)cc1I)c1cccc2ccccc12 2207273335 UCSMGLJPEUCWCU-KRWDZBQOSA-N 457.536 6.535 50 10 JKGE CC(C)(CBr)N(Cc1ccccc1)C[C@@H]1CC1(Br)Br 2208984250 ROAWYZNDUUAJQJ-ZDUSSCGKSA-N 454.044 5.168 50 10 JKGE Cc1cc(Br)c([C@@H](Br)c2sccc2Br)c(C)c1Cl 2217612356 DBDRLNGGLNODAL-LLVKDONJSA-N 473.455 7.028 50 10 JKGE CCOCc1cc(Br)c([C@@H](Cl)c2csc(I)c2)s1 2217987906 OTIDMOBBFBREBP-NSHDSACASA-N 477.614 6.041 50 10 JKGE COc1cc(Cl)cc(CBr)c1OC[C@@H]1CC1(Br)Br 2218002091 YPPBJOPPEZHYPO-QMMMGPOBSA-N 463.391 5.128 50 10 JKGE C[C@H](CCOCc1ccccc1)n1c(CCl)nc2cc(Br)c(Br)cc21 2218661146 DZDWKNXKIQFAPB-CYBMUJFWSA-N 486.635 6.468 50 10 JKGE COC12CCC([C@H](Br)c3cc(Br)sc3Br)(CC1)C2 2223621697 KOAIQSMDQXBOCU-QFWMXSHPSA-N 459.041 6.058 50 10 JKGE ClCCc1nc2cc(Br)c(Br)cc2n1[C@@H]1CC[C@@H]1OCc1ccccc1 2225695917 CRZYUAAQOJZQLI-MJGOQNOKSA-N 498.646 6.263 50 10 JKGE Clc1cc(Br)c([C@@H](Br)CCC2CCCCC2)c(Cl)c1Cl 2232509356 CKHNHLUNMNISJE-JTQLQIEISA-N 463.468 8.206 50 10 JKGE Fc1cc(Br)c(Br)cc1[C@H](Br)[C@@H]1C[C@@H]1C1CCCCC1 2233976295 OBSINOIQPMHJLU-GLKRBJQHSA-N 469.030 7.003 50 10 JKGE COc1cc(C)ccc1[C@H](Br)c1ccc(Br)c(C)c1Br 2233984432 RAJMPUMIDJZSJC-INIZCTEOSA-N 463.007 6.321 50 10 JKGE COc1cc(Cl)c([C@@H](Br)c2sc(C)c(Br)c2C)cc1Cl 2234471573 SRIXTYNDFMBPIU-CYBMUJFWSA-N 459.030 6.927 50 10 JKGE C[C@@H](CBr)N(Cc1ccccc1)C(=O)c1scc(Br)c1Cl 2241236553 URXZTWWLSYEEOM-JTQLQIEISA-N 451.611 5.590 50 10 JKGE CCc1cc([C@H](Br)c2ccc(C)cc2Br)sc1Br 2255988591 LTZWIYYYHQJLHN-CYBMUJFWSA-N 453.037 6.628 50 10 JKGE Fc1cc(Br)c(F)c(Br)c1[C@@H](Cl)c1sccc1Br 2260005856 MAJCZILUJXRAEU-SECBINFHSA-N 481.381 6.642 50 10 JKGE Fc1cc(Br)c(F)c(Br)c1[C@@H](Br)[C@@H]1CCC12CCC2 2272723516 GILYCOQSABBAMF-CPCISQLKSA-N 458.966 6.506 50 10 JKGE Fc1cc(C[C@@H](Br)c2cc(Cl)ccc2I)ccc1Cl 2277790028 FJMNWDKLOWHUAD-LLVKDONJSA-N 473.938 6.416 50 10 JKGE Fc1cc(Cl)cc([C@@H](Br)Cc2cc(Br)cc(Br)c2)c1 2277964136 CEGYQJKUHROMML-AWEZNQCLSA-N 471.389 6.683 50 10 JKGE C[C@]1([C@@H](Br)Cc2cc(Br)cc(Br)c2)C[C@H]1C(F)(F)F 2277964341 DTYBPOQVBIJJJB-WOPDTQHZSA-N 464.945 6.106 50 10 JKGE CCC[C@H](CC(C)C)[C@H](Br)c1c(F)cc(Br)c(F)c1Br 2288358264 VPYMUXANVSOMRE-RNCFNFMXSA-N 477.025 7.388 50 10 JKGE Cc1cc(C=C(C#N)C(=O)Nc2ccccc2)c(C)n1-c1ccc(OCc2ccc(F)cc2)cc1 2294171903 IISATBPQBJKGBR-UHFFFAOYSA-N 465.528 6.358 50 10 JKGE CCOC(=O)c1c(-n2c(C)cc(C=C(C#N)C(=O)Nc3ccc(C)cc3)c2C)sc2c1CCCC2 2294193325 FGMCHSJNVSQXFW-UHFFFAOYSA-N 487.625 6.065 50 10 JKGE Cc1cc([C@@H](Cl)Cc2cc(Br)cc(Br)c2)cc(C)c1Br 2295339927 OVEVRRZXXJXPJC-HNNXBMFYSA-N 481.453 7.114 50 10 JKGE COc1cc(C=C(C#N)c2nc3ccccc3s2)ccc1OC(=O)c1cccc2ccccc12 2295459770 WCYZQRZZAALKQN-UHFFFAOYSA-N 462.530 6.741 50 10 JKGE COc1ccc([C@@H](Br)c2cc3sc(Br)cc3s2)c(Br)c1 2295496869 CAJLAWWRPLJSBP-CQSZACIVSA-N 497.071 6.981 50 10 JKGE CCOc1ccccc1NC(=O)C(C#N)=Cc1ccc(COc2c(Cl)cc(Cl)cc2Cl)o1 2295672323 MSWLPLRYEVHJEP-UHFFFAOYSA-N 491.758 6.763 50 10 JKGE Cc1ccc(S(=O)(=O)C(C#N)=Cc2cn(-c3ccccc3)nc2-c2ccc3c(c2)C[C@@H](C)O3)cc1 2296730182 DPOWYYLKEVAQAM-HXUWFJFHSA-N 481.577 5.510 50 10 JKGE CCCn1c(C)cc(C=C(C#N)C(=O)OCC(=O)Nc2cc(C(F)(F)F)ccc2Cl)c1C 2297356644 YAAYXZCXIPDQIE-UHFFFAOYSA-N 467.875 5.276 50 10 JKGE CC(=NNC(=O)c1ccccc1NS(=O)(=O)c1cccs1)c1ccc(Oc2ccccc2)cc1 2297635242 WZESEUAOBNNFDU-UHFFFAOYSA-N 491.594 5.495 50 10 JKGE FC1(F)[C@@H]([C@@H](Br)c2ccc(OCc3ccccc3)cc2Br)C12CC2 2299507349 FMQIIZVKSLXGBE-IRXDYDNUSA-N 458.140 6.509 50 10 JKGE FC1(F)CC(C[C@@H](Br)c2cc(Br)ccc2OCc2ccccc2)C1 2299526639 ZTPOYRHJRBIAMU-QGZVFWFLSA-N 460.156 6.900 50 10 JKGE Cc1cc(C=C(C#N)C(=O)Nc2cccc(Cl)c2Cl)c(C)n1-c1ccc(-c2ccccc2)cc1 2313571453 WSKVUKJXTCQRHK-UHFFFAOYSA-N 486.402 7.614 50 10 JKGE Brc1ccc(OCc2ccccc2)c([C@H](Br)[C@H]2C[C@@]23CCCOC3)c1 2314491053 MHSBWQUSAYDRGT-HLAWJBBLSA-N 466.213 6.281 50 10 JKGE N#CC(=Cc1ccc(-c2cccc(Cl)c2Cl)o1)C(=O)Nc1cc(Cl)cc(Cl)c1 2314571142 BTJKUTYEEOOMCR-UHFFFAOYSA-N 452.124 7.106 50 10 JKGE CC[C@H](C)N1C(=O)C(=Cc2cn(-c3ccccc3)nc2-c2cc3ccccc3o2)C(C)=C(C#N)C1=O 2314610676 KXIWHPAHSMIGBQ-SFHVURJKSA-N 476.536 5.676 50 10 JKGE CC1=C(C#N)C(=O)N(C2CCCCC2)C(=O)C1=Cc1ccc(-c2cccc(Cl)c2Cl)o1 2314617009 OXESLJMLQWBQRW-UHFFFAOYSA-N 455.341 6.178 50 10 JKGE CCCCCOc1ccc(C=C2C(=O)N([C@@H](C)c3ccccc3)C(=O)C(C#N)=C2C)cc1OCC 2314617789 AUGUAKZUETXBMP-NRFANRHFSA-N 472.585 6.008 50 10 JKGE N#CC1=C(N)Oc2cc(OC(=O)C=Cc3ccccc3Cl)ccc2[C@H]1c1cccc(Cl)c1 2314634078 KIBZVOMGJMNZDZ-XMMPIXPASA-N 463.320 5.830 50 10 JKGE CCOC(=O)c1c(-c2ccc(CC)cc2)csc1NC(=O)C(C#N)=Cc1ccc(OC)cc1 2314753607 CGTNXHQLPIDDKE-UHFFFAOYSA-N 460.555 5.708 50 10 JKGE CC1CC(C[C@@H](Br)c2c(Cl)cc(Br)c(F)c2Br)C1 2315450771 IARYNAQAKLWGPZ-KAVNDROISA-N 463.410 6.876 50 10 JKGE N#CC(C(=O)CSc1ncnc2scc(-c3ccc(Cl)cc3)c12)=C1Nc2ccccc2S1 2320729536 DBKDQIWVTZYDPF-UHFFFAOYSA-N 493.038 6.626 50 10 JKGE CC1(C)C[C@H](CBr)CN1Cc1ccc(I)c(Br)c1 2325208649 IDTGXCFQFWTODJ-LLVKDONJSA-N 487.017 5.049 50 10 JKGE CC(=Cc1ccccc1Cl)C(=O)N[C@H](Cc1ccccc1)C(=O)Nc1ccc(SC#N)cc1 2330493518 DNSHPZNBSBKVSL-XMMPIXPASA-N 476.001 5.683 50 10 JKGE COc1cc2nc(C(C#N)=Cc3ccc(OCc4ccc(Cl)cc4)cc3)nc(O)c2cc1OC 2331042481 CSBMJMZWOWNCFP-UHFFFAOYSA-N 473.916 5.649 50 10 JKGE N#CC(=C(O)c1ccc(Cl)cc1[N+](=O)[O-])c1nc(-c2ccc(Br)cc2)cs1 2331266156 SGPQSEWVPVLXIW-UHFFFAOYSA-N 462.712 6.084 50 10 JKGE CCOc1ccc(-c2csc(C(C#N)=C(O)c3c(Cl)ccc(Cl)c3Cl)n2)cc1 2331305738 NPQADMSMSQTDCS-UHFFFAOYSA-N 451.762 7.119 50 10 JKGE Cc1ccc(-c2csc(C(C#N)=C(O)Cc3ccc(OCc4ccccc4)cc3)n2)c(C)c1 2331307452 URIIFQZEWLTKDZ-UHFFFAOYSA-N 452.579 7.041 50 10 JKGE CCc1ccccc1OCC(O)=C(C#N)c1nc(-c2cc(Cl)c(OC)cc2OC)cs1 2331381126 LTPRNWQPGJLSSM-UHFFFAOYSA-N 456.951 5.915 50 10 JKGE Brc1cc(OCc2ccccc2)ccc1[C@H](Br)[C@@H]1OC[C@@H]2CCCC[C@H]21 2336044652 PSNUQTXPEXKEEB-DESBSMFKSA-N 480.240 6.669 50 10 JKGE Cc1cc(Br)c(F)c(Br)c1[C@H](Br)[C@@H]1C[C@@H]2CC[C@H]1O2 2339647100 XYQVRKXNFIXOHC-AHKPZJBNSA-N 456.975 5.663 50 10 JKGE Cc1cc(Br)c(F)c(Br)c1[C@H](Br)C12COC(C)(C1)C2 2339654944 WAJQTWAPWVMRRW-HSBZDZAISA-N 456.975 5.664 50 10 JKGE Clc1ccc(CN2CC[C@H](Br)CC23CCC3)c(I)c1 2341009188 INSCOJBQUPHICN-LBPRGKRZSA-N 454.577 5.227 50 10 JKGE Cc1c(Br)ccc([C@H](Br)[C@]23C[C@H](C[C@H](C)O2)C3)c1Br 2342635777 XNQLEBLCEDPLCG-VUBPOPHZSA-N 453.012 5.914 50 10 JKGE Fc1c(Br)cc(Cl)c([C@H](Cl)c2cc(Cl)ccc2Cl)c1Br 2362224352 LDNMXCQQQKQQHO-GFCCVEGCSA-N 481.801 7.639 50 10 JKGE CC(C)[C@@H](Cl)C(C)(C)CNC(=O)c1ccc(Br)cc1I 2366003388 SLDQUKIZHCMTRM-CYBMUJFWSA-N 472.592 5.073 50 10 JKGE Fc1cc(Cl)c([C@@H](Cl)Cc2cc(Br)cc(Br)c2)c(Cl)c1 2366418813 ASMPLLIHVZIKIY-NSHDSACASA-N 461.383 7.180 50 10 JKGE CC[C@H](O[C@@H]1CN(C(=O)OC(C)(C)C)C[C@@H]1Br)c1ccc(C(F)(F)F)cc1 2369785473 XWDKQEKIYBKGJW-HRCADAONSA-N 452.311 5.556 50 10 JKGE FC(F)(F)CC1CCC([C@@H](Br)c2sc(Cl)cc2Br)CC1 2381922553 CUUWRNPILHEEAQ-OIAXGBPSSA-N 454.577 7.359 50 10 JKGE COc1cc(/C=C(/C#N)c2nc3ccc(C)cc3[nH]2)ccc1Oc1ccc([N+](=O)[O-])cc1C#N 16348219 OPJMYFLCJCJCND-ZDLGFXPLSA-N 451.442 5.516 50 10 JKGE COc1ccc(COc2ccc(/C=N/NC(=O)c3cccc(NC(=O)c4ccc(F)cc4)c3)o2)cc1 20248821 AYECFZXLLOMGPW-MUFRIFMGSA-N 487.487 5.023 50 10 JKGE COc1ccc(OCCCC(=O)Oc2ccc(/C=C(/C#N)c3ccc(OC)cc3)cc2OC)cc1 31902286 AYWHYMAQYLULEM-XLNRJJMWSA-N 473.525 5.541 50 10 JKGE COc1cc(/C=C(/C#N)C(=O)Nc2ccc(Br)cc2F)ccc1OCc1ccccc1 33344066 SBWWJEQTXAJLMQ-WQRHYEAKSA-N 481.321 5.721 50 10 JKGE C=CCN1C(=O)C(C#N)=C(C)/C(=C\c2cn(-c3ccccc3)nc2-c2ccc(OCC)c(C)c2)C1=O 38607640 PAFCKVKWNPNPDS-LFVJCYFKSA-N 478.552 5.025 50 10 JKGE Cc1ccccc1C(=O)Oc1ccc2c(c1)OC(N)=C(C#N)[C@@H]2c1ccc(Br)cc1 38651569 UQGWMMBENTVMEB-JOCHJYFZSA-N 461.315 5.195 50 10 JKGE Cc1c(C(=O)Nc2ccc(Cl)cc2)oc2c1/C(=N/NC(=O)c1ccccc1Cl)CCC2 40812720 FUQYWDRBGFTWAC-OVVQPSECSA-N 456.329 5.618 50 10 JKGE CCc1ccc(-n2c(C)cc(/C=N/NC(=O)c3cc4cc(Br)ccc4o3)c2C)cc1 59305012 JHVKKIQSOCCSDI-VULFUBBASA-N 464.363 5.929 50 10 JKGE CCCCCCCCCCCCCCCCCCNC(=O)N[C@@H]1CS(=O)(=O)C[C@H]1Cl 59568209 ZPUGZYLCTRFYAS-FGZHOGPDSA-N 465.144 5.952 50 10 JKGE Cc1ccc(C)c(OCCCC(C)(C)C(=O)NNC(=O)COc2ccccc2-c2ccccc2)c1 66201379 YDEHXFAZKZSVHT-UHFFFAOYSA-N 474.601 5.382 50 10 JKGE CC1CCC(NC(=O)[C@@H](c2ccc(Cl)cc2)N(Cc2ccccc2Cl)C(=O)CCl)CC1 97914751 JLNZHVBHYHTRAY-XXLUKPGQSA-N 481.851 5.997 50 10 JKGE Fc1ccc(Br)cc1COc1ccc(CBr)cc1Br 110379432 QKTBWSDUKODDPV-UHFFFAOYSA-N 452.943 5.825 50 10 JKGE CCc1nn(C)c(CC(CBr)(CBr)CC(C)C)c1Br 118669789 ISKVZKPDXHPCCX-UHFFFAOYSA-N 459.064 5.110 50 10 JKGE Clc1cccc(C(CBr)(CBr)Cc2cc(Cl)ccc2Cl)c1 118878120 CWVCSIPLDNWZME-UHFFFAOYSA-N 471.447 6.917 50 10 JKGE Fc1cc(Br)cc(C[C@@H](CBr)c2cccc(Br)c2)c1 125113797 PUBKALLUECROTR-LBPRGKRZSA-N 450.971 6.072 50 10 JKGE CCOc1ccc([C@@H](Cl)c2ccccc2I)c(Br)c1 126681461 RFZNMVVLBUUZOC-OAHLLOKOSA-N 451.529 5.781 50 10 JKGE CC(C)c1ccc([C@@H](Br)c2cc(Br)c(Br)s2)cc1 128244778 DNJCFWGQGGQMNR-CYBMUJFWSA-N 453.037 6.881 50 10 JKGE COc1ccc(OC)c([C@@H](Br)c2cc(Br)c(C)cc2Br)c1 128737840 FDSLEJYPJFRUMB-INIZCTEOSA-N 479.006 6.022 50 10 JKGE Brc1cc2c(c([C@H](Br)c3cccc(I)c3)c1)OCC2 228445810 SISJYUCOTJBRTB-CQSZACIVSA-N 493.964 5.473 50 10 JKGE O=C(N[C@@H]1CCCCC[C@H]1Br)c1cc(Br)cc(Br)c1 232485841 QYMNHAGWGYRRHB-CHWSQXEVSA-N 454.000 5.038 50 10 JKGE CCOc1ccc(Br)cc1[C@H](Br)c1ccc(Cl)c(Br)c1 233784521 XISHEKLLXZBNJY-OAHLLOKOSA-N 483.425 6.748 50 10 JKGE C[C@@H]1CC[C@H](O[C@@](C)(CI)c2ccccc2Br)C[C@H]1C 253139322 VXSUZUFVUJUHHI-WVZRYYJFSA-N 451.186 5.941 50 10 JKGE CCN(CC)c1ccc(C=NNC(=O)c2cc(-c3cccc(OCc4ccccc4)c3)[nH]n2)cc1 254466788 GRMAJKNKXSAHTO-UHFFFAOYSA-N 467.573 5.266 50 10 JKGE COC(=O)c1c(NC(=O)NN=Cc2cccc(OCc3ccccc3)c2)sc2c1CCCC2 256017290 CHWCKDGCECUBFG-UHFFFAOYSA-N 463.559 5.148 50 10 JKGE CCCCN(C[C@H](Br)[C@@H](Br)c1ccccc1)S(=O)(=O)c1ccccc1 256122918 CGFXHSHNJQZDRM-OALUTQOASA-N 489.273 5.377 50 10 JKGE FC(F)(F)c1csc([C@H](Br)c2ccc(Br)s2)c1Br 310674647 JORVQDWJGNAUMU-MRVPVSSYSA-N 484.982 6.838 50 10 JKGE COc1c(Br)cc(Cl)cc1[C@H](Br)c1cccc(OCc2ccccc2)c1 312111155 MMGQQPDNIWBYPV-HXUWFJFHSA-N 496.626 7.174 50 10 JKGE Fc1cc(Br)ccc1[C@H]1CN(Cc2ccccc2)C[C@H]1CI 382690395 HZTSVKOYUARFRF-PBHICJAKSA-N 474.155 5.239 50 10 JKGE Clc1cc([C@@H](Br)c2cccc(Br)c2Cl)c(Cl)c(Cl)c1Cl 405068193 FGFVKUJDXLEOAM-VIFPVBQESA-N 498.256 8.200 50 10 JKGE CC(C)(C)[Si](C)(C)OCc1ccccc1[C@H]1CCN(S(=O)(=O)c2ccccc2)c2ccccc21 616586945 CWBKKTSNEBECOA-RUZDIDTESA-N 493.745 6.939 50 10 JKGE CC(C)(C)[Si](C)(C)OCCc1ccc([C@H]2CCCCN(S(=O)(=O)c3ccccc3)C2)cc1 616627048 GAZHUBQUTRMEGX-DEOSSOPVSA-N 473.755 6.209 50 10 JKGE COCc1cc(Br)c([C@H](Br)c2cc(Br)ccc2C)s1 688146321 OSCSKTCCHUBUPX-CYBMUJFWSA-N 469.036 6.212 50 10 JKGE Fc1ccc([C@H](Br)c2cc(Br)ccc2Br)c(F)c1Cl 689653508 RWXZVFNDRLIEJB-NSHDSACASA-N 475.352 6.628 50 10 JKGE CCn1cc([C@H](Br)c2cc(Cl)c(Br)cc2F)nc1Br 698373619 LRZXXTDYNBTNGJ-LLVKDONJSA-N 475.381 5.705 50 10 JKGE COc1cc(Br)ccc1[C@@H](Br)c1ccc(C)c(Br)c1C 719544707 JNOBBEMWEPJPFE-INIZCTEOSA-N 463.007 6.321 50 10 JKGE Cc1ccc([C@@H](Br)c2ccc(I)cc2)c(C)c1Br 719584628 TUGOBASPASWUKG-HNNXBMFYSA-N 479.981 6.155 50 10 JKGE Cc1ccc(C)c([C@H](Br)c2ccc(I)c(Br)c2)c1 721594709 QWOOGTNFCIXGAP-OAHLLOKOSA-N 479.981 6.155 50 10 JKGE N#C/C(=C\c1cc(Br)c(Sc2ccc(Cl)cc2)o1)C(=O)Nc1ccccc1 1084069213 AHRZCAKIGVTDIM-JLHYYAGUSA-N 459.752 6.392 50 10 JKGE CC(=O)Nc1ccc(C(C)=NNC(=O)c2ccc(OCc3ccc(Br)cc3)cc2)cc1 1084082553 NXHYNRIXWDWGJS-UHFFFAOYSA-N 480.362 5.141 50 10 JKGE CCOc1cc(C=NNC(=O)c2cc3ccccc3o2)cc(Cl)c1OCc1ccc2c(c1)OCO2 1084283373 QYHABBLUQWGNLD-UHFFFAOYSA-N 492.915 5.557 50 10 JKGE Cc1cccc(C)c1-n1c(C)cc(C=NNC(=O)c2ccc(CSCc3ccccc3)cc2)c1C 1084496933 PQZGQRPUUHLSRM-UHFFFAOYSA-N 481.665 6.908 50 10 JKGE Cc1cccc(C(=O)Oc2ccccc2C=NNC(=O)c2ccc(NC(=O)c3ccccc3)cc2)c1 1084604150 VOWSGMZWUASCGV-UHFFFAOYSA-N 477.520 5.230 50 10 JKGE N#CC1=C(N)Oc2c(c(C(F)(F)F)nn2-c2ccc(Cl)cc2)[C@H]1c1cccc2ccccc12 1865682564 RQQZHBKAMZYOOJ-IBGZPJMESA-N 466.850 5.916 50 10 JKGE N#CC1=C(N)Oc2c(c(-c3ccccc3)nn2Cc2ccccc2F)[C@@H]1c1c(Cl)cccc1Cl 1865686406 VKSUXNPMRNBPQA-NRFANRHFSA-N 491.353 6.262 50 10 JKGE Cc1ccc(C)c(Cn2nc(C(F)(F)F)c3c2OC(N)=C(C#N)[C@@H]3c2cc(Cl)ccc2O)c1 1865689607 UDVOCVGCCZSABN-SFHVURJKSA-N 474.870 5.144 50 10 JKGE CCCOc1cccc([C@@H]2C(C#N)=C(N)Oc3c2c(C(F)(F)F)nn3-c2cccc3ccccc23)c1 1865693693 LUACLNGYWPDLTO-JOCHJYFZSA-N 490.485 6.051 50 10 JKGE COc1ccc(-c2nn(Cc3cccc(Cl)c3)c3c2[C@@H](c2ccccc2O)C(C#N)=C(N)O3)cc1 1865707857 HRKNNHTZBCBYMV-QHCPKHFHSA-N 484.943 5.184 50 10 JKGE N#CC1=C(N)Oc2c(c(-c3ccccc3)nn2-c2ccc(Br)cc2)[C@H]1c1ccc(F)cc1 1865708492 YDKJXBLLTGJLLN-NRFANRHFSA-N 487.332 5.659 50 10 JKGE COc1ccc(-c2nn(-c3cccc4ccccc34)c3c2[C@H](c2cccc(F)c2)C(C#N)=C(N)O3)cc1 1865710624 CSBICEQVSGMJRH-AREMUKBSSA-N 488.522 6.058 50 10 JKGE CCc1nn(Cc2cc(C)ccc2C)c2c1[C@@H](c1cccc(OCc3ccccc3)c1)C(C#N)=C(N)O2 1865712341 WBBGMDUYDHIWFX-NDEPHWFRSA-N 490.607 5.908 50 10 JKGE CCc1nc(Nc2ccc(SC#N)cc2)cc(N2CC(C)(C)c3ccccc3[C@H]2c2ccccc2)n1 1868277863 KVBFDYRDZHUTEV-GDLZYMKVSA-N 491.664 7.243 50 10 JKGE COc1ccc(C(C)(C)C)cc1-c1csc(/C(C#N)=C(\O)Cc2ccc(OC(C)C)cc2)n1 1872751312 BEMRPMSNWLPSFX-GYHWCHFESA-N 462.615 6.939 50 10 JKGE CCOc1ccc(CC/C(O)=C(\C#N)c2nc(-c3cc(C(C)C)c(OC)cc3C)cs2)cc1OC 1872753721 JUTNMBVEYJIZBA-GYHWCHFESA-N 492.641 7.083 50 10 JKGE COc1c(Cl)cc(Cl)cc1-c1csc(/C(C#N)=C(\O)COc2cccc(C)c2C)n1 1872754470 UOCSRWSVJLCKLT-MNDPQUGUSA-N 461.370 6.614 50 10 JKGE COc1c(Cl)cc(-c2csc(/C(C#N)=C(\O)c3ccc(Cl)c([N+](=O)[O-])c3)n2)cc1Cl 1872755794 GENCHFRRCNXIEO-BOPFTXTBSA-N 482.732 6.637 50 10 JKGE CCCCc1ccc(N2C[C@@H](/C(O)=C(\C#N)c3nc(-c4ccc(Cl)s4)cs3)CC2=O)cc1 1872758322 UZHGTXYEXXPZCC-CYMZXICGSA-N 484.046 6.713 50 10 JKGE N#C/C(=C\c1ccc(OCc2ccc(Cl)cc2)cc1)c1nc(-c2ccc3ccccc3c2)cs1 1872782500 JCTOHWJDVJXZPI-MFKUBSTISA-N 479.004 8.260 50 10 JKGE COc1cc(/C=C(\C#N)c2nc(-c3ccc4c(c3)OCO4)cs2)ccc1OC(=O)c1ccccc1 1872792241 MVEYLWWRIBFUKL-RGVLZGJSSA-N 482.517 5.831 50 10 JKGE CC(C)(C)OC(=O)N1CCC[C@H](C(=O)N/N=C/c2cccc(OCc3cccc(Cl)c3)c2)C1 1873499298 OPLNTSZJGRJGOW-IYAOEYEUSA-N 471.985 5.016 50 10 JKGE BrC[C@@H](C1CC1)N(Cc1ccccc1)Cc1cc(Br)cc2c1OCC2 1915144288 VEHIIHVSIFGADY-FQEVSTJZSA-N 465.229 5.560 50 10 JKGE Fc1c(Br)ccc(CN(Cc2ccccc2)[C@H](CBr)C2CC2)c1F 1915164063 QKNIVPOHJBWFHZ-QGZVFWFLSA-N 459.172 5.903 50 10 JKGE O=C(c1ccc(F)c(Br)c1)N(Cc1ccccc1)C1(CBr)CCC1 1915757148 VDJVRSDFQONFIB-UHFFFAOYSA-N 455.165 5.548 50 10 JKGE BrCC1(N(Cc2ccccc2)c2ccnc3cc(Br)cnc23)CCC1 1915762398 JIMPFDJONZLKLT-UHFFFAOYSA-N 461.201 5.717 50 10 JKGE Fc1ccc([C@@H](Cl)c2c(Br)sc(Br)c2Br)cc1 1924580886 VXKKBKMJKGZRLC-SECBINFHSA-N 463.391 6.503 50 10 JKGE COc1ccc([C@H](Br)c2csnc2Br)c(OC)c1Br 1925256679 MQCJKZJKYLEHRA-VIFPVBQESA-N 471.996 5.170 50 10 JKGE Clc1sc(Br)c(Cl)c1[C@H](Br)c1ccc(Br)cc1 1925570248 DHCLKKJEEOQTMP-MRVPVSSYSA-N 479.846 7.064 50 10 JKGE Cn1cc(Br)c([C@H](Br)c2c(Cl)sc(Br)c2Cl)n1 1925615851 CDKXSXCFQJXFCU-RXMQYKEDSA-N 483.838 5.798 50 10 JKGE Fc1ccc([C@@H](Br)c2cscc2OCc2ccccc2)cc1Br 1939523797 JVOJZFOINMDNHC-GOSISDBHSA-N 456.174 6.713 50 10 JKGE BrCC(CBr)(Cc1cccc(Br)c1Br)C1CC1 1943888404 YOQYQGBNOBGOIQ-UHFFFAOYSA-N 489.871 5.940 50 10 JKGE COc1sc([C@@H](Br)c2ccc(OCc3ccccc3)cc2)cc1Br 1946718824 APICKTXLRFEDRD-SFHVURJKSA-N 468.210 6.583 50 10 JKGE FC1(F)CCOC[C@H]1[C@@H](Br)c1cc(Br)c(Br)s1 2001816649 DSOCJIMRLLVGFI-YLWLKBPMSA-N 454.956 5.381 50 10 JKGE CCc1nc([C@@H](Cl)c2cc(Br)sc2Br)c(Br)s1 2003570142 RHARBRZPBAJRHW-ZETCQYMHSA-N 480.472 6.383 50 10 JKGE Fc1cc(Cl)c(Br)cc1[C@H](Br)c1cc(Br)cs1 2004904828 OVSYDPANODEKCO-NSHDSACASA-N 463.391 6.550 50 10 JKGE Cc1cc([C@H](Br)c2cc(I)ccc2Br)sc1C 2017981401 DHTGDLQQCQZPRF-CYBMUJFWSA-N 486.010 6.216 50 10 JKGE Clc1c(Br)sc(Br)c1[C@H](Br)[C@]12CCOC[C@@H]1C2 2018506925 HCKFLOBHIUPMJK-UPIMIWRCSA-N 465.432 5.789 50 10 JKGE CC[C@@H](Br)c1nnc(-c2ccc(Br)cc2I)s1 2026222220 VYWFRKVTAQUXOR-MRVPVSSYSA-N 487.986 5.418 50 10 JKGE CCc1sc(Br)cc1[C@@H](Cl)c1cccc(Br)c1Br 2031482454 SBFZMJONZSCXTA-ZDUSSCGKSA-N 473.455 6.926 50 10 JKGE CS(=O)(=O)c1csc([C@@H](Cl)c2cc(Br)c(Br)s2)c1 2032176033 GKLCGRZTKVUYDO-SECBINFHSA-N 450.626 5.066 50 10 JKGE FC1(F)[C@@H]2COC[C@]21[C@@H](Cl)c1c(Br)sc(Br)c1Br 2043521486 RFGXECFVFPXUNQ-SGBSPZQDSA-N 487.385 5.597 50 10 JKGE Clc1cc(Br)c(OCc2cnsc2Br)c(CBr)c1 2055664638 WYLMDBMBIHZWCW-UHFFFAOYSA-N 476.415 5.795 50 10 JKGE Fc1ccccc1[C@@H](CBr)Cc1cccc(Br)c1Br 2092335603 OVHFDCATEJDLHQ-LLVKDONJSA-N 450.971 6.072 50 10 JKGE Fc1cccnc1COc1c(Br)cc(CBr)cc1Br 2096966323 AFBDTDOQAAWCCZ-UHFFFAOYSA-N 453.931 5.220 50 10 JKGE C[C@H](Br)C12CCC(CC1)N2C(=O)c1cc(Br)sc1Br 2097070392 NQAAREFHPPHXGR-DWHFKYGWSA-N 472.040 5.194 50 10 JKGE CN(C[C@@H](Br)C1CCCC1)C(=O)c1csc(Br)c1Br 2111350539 GZYQHACPSNCALU-SNVBAGLBSA-N 474.056 5.299 50 10 JKGE C[C@@H](Cl)c1nc2cc(Cl)c(Br)cc2n1C[C@H]1CCN1Cc1ccccc1 2112701290 HRJBVQANQSVBNN-UKRRQHHQSA-N 453.211 6.027 50 10 JKGE CN(Cc1ccc(Br)cc1Br)[C@H]1CCCCC[C@@H]1Br 2115916086 WCGXSWZQKHRYPO-ZFWWWQNUSA-N 454.044 5.740 50 10 JKGE C[C@@H]1CCC[C@]12[C@H](Br)C[C@H]2Oc1c(Br)cccc1Br 2117006769 GXDFQRXDDWCKCE-QGMIFYJMSA-N 453.012 5.933 50 10 JKGE CN(c1cccc(Br)c1CBr)[C@@H]1C[C@@H]2C[C@@H](OCc3ccccc3)C[C@@H]21 2134020943 YUUUFYJHGMTZRM-RQXXJAGISA-N 479.256 6.164 50 10 JKGE Cc1c(Cl)cccc1[C@H](Br)c1ccc(Br)c(C)c1Br 2138851670 LIFWOIQIAHGCIC-HNNXBMFYSA-N 467.426 6.966 50 10 JKGE Cc1sc(Br)c([C@H](Cl)c2ccc(Br)c(C)c2Br)c1C 2138852598 OMHSSFKVQXQXMO-CYBMUJFWSA-N 487.482 7.289 50 10 JKGE Cc1c(Br)ccc([C@@H](Br)[C@@H]2OCCOC2(C)C)c1Br 2138853372 QCTXLPSBCRRSMJ-OLZOCXBDSA-N 457.000 5.150 50 10 JKGE CCOC1CC(C[C@H](Br)c2ccc(Br)c(C)c2Br)C1 2138855841 YDWHEFSBQOJWQL-MGULZYLOSA-N 455.028 6.161 50 10 JKGE Cc1c(Br)ccc([C@@H](Br)CC2CC(C(F)F)C2)c1Br 2138874099 STCRCSSGWUXMKU-KWPJZBAWSA-N 460.982 6.637 50 10 JKGE CCn1ncc(Br)c1C[C@@H](CBr)Cc1ccccc1Br 2150690285 BHHVLKHARSPCAP-NSHDSACASA-N 465.027 5.224 50 10 JKGE FC(F)(F)c1ccc([C@@H](Cl)c2sc(Br)cc2Br)c(Cl)c1 2179258249 BVBPROWGBCPBGX-SNVBAGLBSA-N 468.947 7.274 50 10 JKGE Cc1cc(Br)c(C)c([C@H](Br)C2(F)CC3(CCC3)C2)c1Br 2201076377 YFYLBMRJCPUVBJ-AWEZNQCLSA-N 469.030 6.937 50 10 JKGE Cc1cc(Br)c(C)c([C@H](Br)c2cccc(F)c2C)c1Br 2201081468 HFNXAEXEGHDXAX-MRXNPFEDSA-N 464.998 6.760 50 10 JKGE COc1cc(F)c(Cl)cc1[C@H](Br)c1cccc(F)c1I 2207358954 CCWNNCJVRGBEFJ-CYBMUJFWSA-N 473.482 5.716 50 10 JKGE Fc1cc(Br)c(Br)cc1[C@@H](Cl)c1cc(Br)sn1 2213494324 ZPBXYZKZPYVBMH-SNVBAGLBSA-N 464.379 5.898 50 10 JKGE Br[C@H](c1csc(I)c1)c1ccc([C@H]2CCOC2)s1 2223715190 CEKARIWRYDGYLW-ISVAXAHUSA-N 455.180 5.402 50 10 JKGE Cc1cc(Cl)c([C@@H](Br)c2ccc(C)c(I)c2)cc1Cl 2224626641 KBKGKAZRUJQXTB-HNNXBMFYSA-N 469.975 6.699 50 10 JKGE Cc1cc(Br)c([C@H](Br)[C@@H]2C[C@@H]2[C@H]2C[C@@H]2C)c(C)c1Br 2227358694 AAILXBKLGSMUBV-LXMLNXAMSA-N 451.040 6.557 50 10 JKGE Cc1cccc(C[C@H](Br)c2c(Br)cc(Cl)c(Cl)c2Cl)c1 2232512155 MUPOEQGPWVMYTP-JTQLQIEISA-N 457.420 7.396 50 10 JKGE Clc1cc(Br)c([C@H](Br)C2CC[C@H]3C[C@@H]3CC2)c(Cl)c1Cl 2232521460 TWVYAJQBNUMCQA-MWODSPESSA-N 461.452 7.672 50 10 JKGE Cc1cc(Br)c([C@@H](Br)c2cc(F)ccc2F)c(C)c1Br 2235608984 AKKXGETWAJTBGI-HNNXBMFYSA-N 468.961 6.591 50 10 JKGE COc1cc(Br)c([C@@H](Cl)c2cc(Cl)ccc2I)cc1C 2236010475 NLVGVEVOJRRNSJ-OAHLLOKOSA-N 485.974 6.352 50 10 JKGE COc1c([C@H](Cl)c2c(Br)sc(Br)c2Cl)csc1C 2259132699 QSOAPSZBZUVSKR-ZETCQYMHSA-N 451.032 6.633 50 10 JKGE CC(C)(C)CCN(CCBr)c1ncc(I)cc1Br 2261141014 PXVUFXMATZINHD-UHFFFAOYSA-N 490.021 5.086 50 10 JKGE Fc1cc(Br)c(F)c(Br)c1[C@@H](Br)CC[C@H]1CCCO1 2272848842 AFKFZICUAMLPJX-SFYZADRCSA-N 462.954 5.885 50 10 JKGE CCCc1ccc([C@H](Br)c2cc(Br)c(C)cc2Br)cc1 2283388126 PPOKORURIJWVDN-KRWDZBQOSA-N 461.035 6.957 50 10 JKGE CC1CC2(C1)CC([C@@H](Br)c1c(Br)cc(Cl)c(Cl)c1Cl)C2 2287685663 JABLQNDANGPUNF-OBRCGDTLSA-N 461.452 7.672 50 10 JKGE O=C(c1csc(Br)c1Br)N1CCC2(CC[C@@H](Br)C2)CC1 2287953780 YMKGZQSUTWTADP-SECBINFHSA-N 486.067 5.443 50 10 JKGE C[C@H](c1ccccc1)[C@H](Br)c1c(F)cc(Br)c(F)c1Br 2288356217 RKCBLPHTFLMWQO-OQPBUACISA-N 468.961 6.730 50 10 JKGE CC1(C)CCC[C@@H]([C@H](Br)c2c(F)cc(Br)c(F)c2Br)O1 2288489621 WHJRMWBMNHVTEC-ONGXEEELSA-N 476.981 6.274 50 10 JKGE FC1(F)CC[C@]2(C1)[C@@H](Br)C[C@H]2Oc1ccc(Br)cc1Br 2295115322 OTCAJYIIJZVHOQ-XQQFMLRXSA-N 474.965 5.932 50 10 JKGE CCC[C@H]1CC[C@H]([C@@H](Br)Cc2cc(Br)cc(Br)c2)CC1 2295331300 HRBJYVPEVIOEJF-JDFRZJQESA-N 467.083 7.124 50 10 JKGE Cc1cc(Br)c(F)c([C@H](Cl)Cc2cc(Br)cc(Br)c2)c1 2295335351 JDMFLKUTQCUXMN-CQSZACIVSA-N 485.416 6.944 50 10 JKGE FC1(F)CCCC[C@H]([C@H](Br)Cc2cc(Br)cc(Br)c2)C1 2295336605 YMYBCSVTIMZLHK-SMDDNHRTSA-N 475.009 6.733 50 10 JKGE CCOc1ccc(NC=C(C#N)c2nc(-c3cc4cc([N+](=O)[O-])ccc4oc3=O)cs2)cc1 2295882884 YWPLNTAHTQGUQO-UHFFFAOYSA-N 460.471 5.200 50 10 JKGE CCSc1ccc(-c2nn(-c3ccccc3)cc2C=C(C#N)c2nc3ccccc3s2)cc1 2296609555 YCEVJMFNZAVGFM-UHFFFAOYSA-N 464.619 7.325 50 10 JKGE Cc1cccc(NC(SCc2ccccc2F)=C(C#N)S(=O)(=O)c2ccccc2)c1C 2297350175 RNRKGPVSXYFIAU-UHFFFAOYSA-N 452.576 5.954 50 10 JKGE CCOc1ccccc1NC(SCc1ccc(Cl)cc1)=C(C#N)C(=O)NCc1cccs1 2297414535 FFNKVBIKAJFZET-UHFFFAOYSA-N 484.046 6.197 50 10 JKGE Cn1cc([C@H](Cl)c2cc(Br)ccc2OCc2ccccc2)c(Br)n1 2299488107 DDDDPZPMOIYGHL-QGZVFWFLSA-N 470.592 5.852 50 10 JKGE Clc1cc(I)c([C@@H](Cl)c2cc(Br)ccc2Cl)s1 2300955105 HMUQHMJZGPICMR-JTQLQIEISA-N 482.395 6.750 50 10 JKGE COc1cc([C@H](Br)c2cc(Br)c(Br)s2)sc1Cl 2301931872 YUOZQFQPJULCRM-MRVPVSSYSA-N 481.456 6.481 50 10 JKGE C=CCc1cc(C=C(C#N)C(=O)Nc2ccc(C)cc2)cc(OC)c1OCc1ccc2c(c1)OCO2 2313568781 XAPBLQMNGOHYJP-UHFFFAOYSA-N 482.536 5.586 50 10 JKGE Cc1ccc(NC(=O)C(C#N)=Cc2ccc(OCc3ccc(Cl)cc3Cl)cc2)c(C)c1 2313667936 YYUBIEYKIQWUAN-UHFFFAOYSA-N 451.353 6.735 50 10 JKGE Brc1cc(OCc2ccccc2)ccc1[C@@H](Br)[C@H]1CCCC12CCC2 2314442271 BEIHTMINUGQKNK-TZIWHRDSSA-N 464.241 7.435 50 10 JKGE CCOC(=O)c1c(NC(=O)C(C#N)=Cc2ccc(-c3ccc(Cl)c(Cl)c3)o2)sc(C)c1C 2314572117 SZVOWQWLHCKFBQ-UHFFFAOYSA-N 489.380 6.654 50 10 JKGE Cc1ccc(C=CC(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@@H]3c2ccc(Cl)cc2Cl)cc1 2314634053 HBEUPSIMMGVTSL-RUZDIDTESA-N 477.347 6.139 50 10 JKGE CCCCOc1ccc(C=C(C#N)C(=O)Nc2ccc(I)cc2C)cc1 2314735227 PQQGSAYIEIMRSQ-UHFFFAOYSA-N 460.315 5.324 50 10 JKGE CCCCNC(=O)C(C#N)=Cc1ccc(OC(=O)[C@@H](C)Oc2cc(C)c(Cl)c(C)c2)c(OC)c1 2314789613 ONITZLVQIAAPCH-GOSISDBHSA-N 484.980 5.162 50 10 JKGE Cc1ccc(Oc2cc(Br)cc(I)c2)c(CBr)n1 2316848768 FTLIFQFLDSNXSE-UHFFFAOYSA-N 482.941 5.444 50 10 JKGE Cc1cc(Br)c(F)c(Br)c1[C@H](Br)[C@H](C)C(F)(F)F 2317403345 NJJVZGWVLWPTMC-YLWLKBPMSA-N 456.897 6.294 50 10 JKGE CCN(CC)S(=O)(=O)c1ccc(C(=O)Oc2cccc(C=C(C#N)c3ccc(OC)cc3)c2)cc1 2320510847 DVFLMELDNMMYII-UHFFFAOYSA-N 490.581 5.009 50 10 JKGE COc1ccc(C(C#N)=Cc2cccc(OC(=O)c3cc(C(F)(F)F)cc(C(F)(F)F)c3)c2)cc1 2320510954 GPTDBYTVKUPYEU-UHFFFAOYSA-N 491.387 7.016 50 10 JKGE COc1ccc2c(c1)c(C=C1Oc3cc(OCc4ccc(CCl)cc4)cc(C)c3C1=O)cn2C 2325339634 UITCQGWCGIZEHJ-UHFFFAOYSA-N 473.956 6.429 50 10 JKGE COc1cc2nc(C(C#N)=Cc3cc(C(C)(C)C)c(O)c(C(C)(C)C)c3)nc(O)c2cc1OC 2331042644 UGSSUIAHNFOSJZ-UHFFFAOYSA-N 461.562 5.717 50 10 JKGE COCCOc1ccc(C=C(C#N)C(=O)Nc2ccc(C)cc2-c2cc(F)ccc2OC)cc1 2331123226 TWQIIBRPKSMKLN-UHFFFAOYSA-N 460.505 5.381 50 10 JKGE CCOc1ccc(CC(O)=C(C#N)c2nc(-c3cc(Cl)cc(Cl)c3OC)cs2)cc1 2331362463 NGHDDBZGZPMYGZ-UHFFFAOYSA-N 461.370 6.560 50 10 JKGE COc1c(C)cc(Cl)cc1-c1csc(C(C#N)=C(O)C=Cc2ccc(Cl)c(Cl)c2)n1 2331391920 VDXGPJUTTXCJBR-UHFFFAOYSA-N 477.800 7.593 50 10 JKGE N#CC(=Cc1ccc(OCc2ccccc2Cl)cc1)c1nc(-c2ccc(Cl)cc2Cl)cs1 2331424865 KXFIJKBMHQDEEY-UHFFFAOYSA-N 497.834 8.413 50 10 JKGE Brc1ccc(OCc2ccccc2)c([C@H](Br)[C@@H]2C[C@@H]2C2CCOCC2)c1 2336040323 DXNVXKACTXRSKV-WOIUINJBSA-N 480.240 6.527 50 10 JKGE C[C@@H](CC(F)(F)F)[C@H](Br)c1c(Cl)cc(Br)c(F)c1Br 2337093095 AMTONXXIQSNLKL-NVNXEXLPSA-N 491.342 7.029 50 10 JKGE Fc1cccc(CBr)c1OCc1cc(I)ccc1Br 2341781789 YEEIJBZVNOTLQH-UHFFFAOYSA-N 499.943 5.667 50 10 JKGE CCCc1nc(Br)c(Br)n1C[C@@](C)(CBr)C(C)(C)C 2352107333 NARNEYPHCLGWLK-CQSZACIVSA-N 459.064 5.808 50 10 JKGE COc1c(Br)cc(C)c([C@@H](Cl)c2scc(Cl)c2Cl)c1Br 2365181755 XLVBHYJVJYKZKZ-LLVKDONJSA-N 479.448 7.225 50 10 JKGE Cc1cc(Br)c(F)c(Br)c1[C@@H](Cl)Cc1ccc(Br)cc1 2365189203 SFIJUSSYVJYAJI-LBPRGKRZSA-N 485.416 6.944 50 10 JKGE COc1c(Br)cc(C)c([C@@H](Br)C2(C)CC(F)(F)C2)c1Br 2365191613 PPIBLRLNPGQUNL-GFCCVEGCSA-N 476.981 6.400 50 10 JKGE Cc1cc(Br)c(F)c(Br)c1[C@H](Br)[C@@H]1CCC[C@H]1C(F)F 2365197135 SVFUDHDMKHGHEI-SOCHQFKDSA-N 478.972 6.777 50 10 JKGE N#C/C(=C/c1cccc(OC(=O)c2cc(C(F)(F)F)cc(C(F)(F)F)c2)c1)c1ccccc1 31902613 AKIQKGUBSHBMFB-NVMNQCDNSA-N 461.361 7.008 50 10 JKGE CCCCSc1ccc(-c2nn(-c3ccccc3)cc2/C=C(/C#N)C(=O)NCc2ccccc2)cc1 33939634 GETSWSUXEVMVQR-PLRJNAJWSA-N 492.648 6.655 50 10 JKGE Cc1ccccc1-c1nc(OC(C)C)nn1-c1ccc(NC(=O)[C@H](Cl)c2ccccc2)cc1 35806464 BSNIPJBZONCMSG-HSZRJFAPSA-N 460.965 5.949 50 10 JKGE COc1ccccc1[C@@H]1C(C#N)=C(N)Oc2cc(OC(=O)COc3ccc(C(C)(C)C)cc3)ccc21 38650054 GBWBEWHOWMPGMZ-MHZLTWQESA-N 484.552 5.195 50 10 JKGE C=CCOc1ccc(C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@H]3c2ccc(OCC)cc2)cc1 38685840 INXMQPRFOWPMHR-SANMLTNESA-N 468.509 5.087 50 10 JKGE Cc1ccc2[nH]c(-c3ccc4ccccc4n3)c(CCCC(=O)NNC(=O)c3cccc(Cl)c3)c2c1 39867315 ZMZUSQJGDNWBFJ-UHFFFAOYSA-N 496.998 6.129 50 10 JKGE O=C(COc1ccccc1)NNc1ncnc(Nc2ccc(/N=N/c3ccccc3)cc2)c1[N+](=O)[O-] 40645914 NTZYXHJHVRDOAN-ZQHSETAFSA-N 484.476 5.066 50 10 JKGE CCOC(=O)/C(C#N)=C/c1ccc(OC(=O)COc2ccc(C(C)(C)c3ccccc3)cc2)c(OC)c1 40876795 IROQUFTZCDHCOG-OQKWZONESA-N 499.563 5.476 50 10 JKGE COc1cc(/C=C(\C#N)C(=O)NC(C)C)ccc1OC(=O)CCCOc1ccc(C(C)C)cc1 40950103 OCOAHZKJQDXXAN-PXLXIMEGSA-N 464.562 5.015 50 10 JKGE CCOc1ccc(/C=N/NC(=O)CCCOc2ccc(C(C)(C)C)cc2Br)cc1 40951378 UECXUIINZDRDEK-PCLIKHOPSA-N 461.400 5.455 50 10 JKGE COc1ccc(C(=O)Oc2cccc(/C=C(/C#N)C(=O)Nc3cc(Cl)ccc3Cl)c2)cc1 59117397 MYNHXZIECLGATD-BOPFTXTBSA-N 467.308 5.767 50 10 JKGE CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(OC)cc2)ccc1OCc1cccc2ccccc12 59433117 FVDQEUSDAMAZEW-JJIBRWJFSA-N 478.548 6.372 50 10 JKGE Cc1ccc(/C(CSc2nc3ccccc3s2)=N\NC(=O)c2cccc([N+](=O)[O-])c2)c(C)c1 59460599 XBKVBXXPYNFWTO-QLYXXIJNSA-N 476.583 5.748 50 10 JKGE Brc1ccc(Br)c([C@@H](Br)c2ccc(Br)o2)c1 71096318 ZUHGYKBDHNMCRX-LLVKDONJSA-N 473.784 6.051 50 10 JKGE COc1cc([C@@H](C(=O)NC2CCCCC2)N(C(=O)CCl)C2CCCCC2)ccc1OC(C)C 97914663 TZRZKIGJGNDGTB-VWLOTQADSA-N 479.061 5.373 50 10 JKGE Cl[C@@H](c1cccc(I)c1)c1cc2c(cc1Br)OCCCO2 109821563 TYLDCQMLPNJRPV-INIZCTEOSA-N 479.539 5.543 50 10 JKGE COc1cc(Br)c(Oc2ncc(Br)cc2CCl)cc1Br 118817932 CSOLIUBQZXETLO-UHFFFAOYSA-N 486.385 5.909 50 10 JKGE Cc1cc(Br)c([C@@H](Br)[C@H]2COc3ccccc3O2)cc1Br 128777053 IBVVXEAKXZMTNX-HZPDHXFCSA-N 476.990 5.796 50 10 JKGE CCc1ccsc1[C@@H](Br)c1cc(Br)c(C)cc1Br 128802350 ATUZKSCMPYNDKQ-ZDUSSCGKSA-N 453.037 6.628 50 10 JKGE Cc1ccc([C@@H](Cl)c2cc(Br)c(C)cc2Br)c(Br)c1 163923426 ZYKXLLZGUIAQGC-OAHLLOKOSA-N 467.426 6.919 50 10 JKGE O=C(CSc1nc2ccccc2[nH]1)N/N=C\c1ccc(OCc2ccccc2)c(Cl)c1 169886285 SZEGBUJCUFWAFI-MXAYSNPKSA-N 450.951 5.038 50 10 JKGE COc1cccc(/C=N\NC(=O)Cc2cc(Cl)ccc2SC)c1OCc1ccccc1 169922649 BERGTTQDABYHNE-YSMPRRRNSA-N 454.979 5.342 50 10 JKGE C[C@H](Sc1nnc(Cc2ccccc2)n1-c1ccccc1)C(=O)/C(C#N)=C1/Nc2ccccc2S1 212168001 FNUPUXCXGBBVHV-LECRTAGSSA-N 495.633 5.861 50 10 JKGE COc1cc(/C=C2\C(=O)N(Cc3ccc(C)cc3)C(=O)C(C#N)=C2C)ccc1OCc1ccccc1F 214383262 AOOMLDDKRGSQDR-OYKKKHCWSA-N 496.538 5.514 50 10 JKGE Brc1ccc(I)c([C@H](Br)Cc2ccncc2)c1 232478992 RRZOHPMBJKOVFV-GFCCVEGCSA-N 466.942 5.127 50 10 JKGE COc1cc(C)c(Br)cc1[C@@H](Cl)c1ccc(F)cc1I 234799059 KTTXDRFBXXYVJR-HNNXBMFYSA-N 469.519 5.838 50 10 JKGE C[C@]12CC[C@@H]3[C@H](CC=C4C[C@H](OC(=O)/C=C/c5ccccc5)CC[C@@]43C)[C@@H]1CC/C2=N/NC(N)=O 253570357 NMEUWUBEWUDIDC-XHQWNXIXSA-N 475.633 5.599 50 10 JKGE CC(=NNC(=O)CSc1nc2ccccc2n1Cc1ccccc1)c1cccc2ccccc12 254449875 IIMDTYKJSRBKHU-UHFFFAOYSA-N 464.594 5.870 50 10 JKGE O=C(CSc1nnc(-c2ccccc2)n1-c1ccccc1)NN=Cc1cccc(C(F)(F)F)c1 254504632 WQLHARWUTAVSNU-UHFFFAOYSA-N 481.503 5.196 50 10 JKGE CCn1c(SCC(=O)NN=C/C(C)=C/c2ccccc2)nnc1-c1ccc(C(C)(C)C)cc1 254523672 HKKCAUMWTSTXRM-WLDXMCRESA-N 461.635 5.560 50 10 JKGE CC(=NNC(=O)c1cc(-c2ccc(C)s2)nc2ccccc12)c1ccc(Br)s1 254745218 QVIGACKRHYVZKP-UHFFFAOYSA-N 470.417 6.250 50 10 JKGE C[C@H](Br)C[C@H]1CCCCCN1C(=O)c1cc(Br)c(Br)s1 312860319 QRAPIOXATOWYOD-VHSXEESVSA-N 488.083 5.831 50 10 JKGE BrC[C@@H](Cc1cccc(Br)c1)Cc1ccsc1Br 388881194 IJMBXRZNSXZPGT-NSHDSACASA-N 453.037 6.069 50 10 JKGE C[C@@H](Cl)c1nc2cc(I)ccc2n1C(C)(C)COCc1ccccc1 389960376 LVUIYEWQSOJBQM-CQSZACIVSA-N 468.766 5.893 50 10 JKGE CC(C)(C)[Si](C)(C)OCCc1cccc([C@@H]2CN(CCO[Si](C)(C)C(C)(C)C)CCN2)c1 616634274 PGHJCJJCZURTFG-DEOSSOPVSA-N 478.870 6.219 50 10 JKGE Cn1cc([C@@H](Br)c2cc(Cl)c(Cl)c(Cl)c2Cl)nc1Br 698482894 SGEQUPUVGMOATG-ZETCQYMHSA-N 467.803 6.281 50 10 JKGE COc1ccc(Br)cc1[C@@H](Br)c1cccc(F)c1I 721694492 ZFRFBHFZJXMOBZ-ZDUSSCGKSA-N 499.943 5.686 50 10 JKGE Fc1cccc([C@H](Br)Cc2ccc(Br)cc2)c1I 721733544 ZKPHRYAAIOLDJZ-GFCCVEGCSA-N 483.944 5.872 50 10 JKGE O=C(NN=Cc1cc(-c2ccccc2)n(-c2ccc(Cl)cc2)c1-c1ccccc1)c1cccnc1 725388756 UDHIFESUHUWHEA-UHFFFAOYSA-N 476.967 6.624 50 10 JKGE CN(C)C(=O)/C(C#N)=C/c1cc(Br)c(OCc2ccc(Cl)cc2)c(Br)c1 1083969303 IZIXCVXENOYVNP-VGOFMYFVSA-N 498.602 5.439 50 10 JKGE CCOc1cc(/C=C(/C#N)C(=O)Nc2ccc(C)cc2)cc(Cl)c1OCc1ccc(F)cc1 1083997437 XUUNEMBBPOMGHD-NDENLUEZSA-N 464.924 6.311 50 10 JKGE COc1ccc(CNC(=O)/C(C#N)=C/c2cc(Br)ccc2OCc2cccc(C)c2)cc1 1084198023 VGUNCLKWIADLEE-LPYMAVHISA-N 491.385 5.569 50 10 JKGE COc1cc(C=NNC(=O)c2cc3cc(Br)ccc3o2)ccc1OCc1ccc(C)cc1 1084294917 OOUSJAONEJBNQV-UHFFFAOYSA-N 493.357 5.855 50 10 JKGE CCOc1cc(Cl)c(C=NNC(=O)c2ccc(-n3c(C)ccc3-c3ccccc3)cc2)cc1OC 1084387950 XFXUCGZETKBTMG-UHFFFAOYSA-N 487.987 6.277 50 10 JKGE Cc1cccnc1NC(=O)c1oc2c(c1C)C(=NNC(=O)c1ccc(-c3ccccc3)cc1)CCC2 1772747215 MARRTQXCEATFKG-UHFFFAOYSA-N 478.552 5.681 50 10 JKGE Cc1c(C(=O)Nc2ccc(Cl)cc2Cl)oc2c1C(=NNC(=O)Cc1ccccc1)CCC2 1772749128 QLMCATYRFAVPDP-UHFFFAOYSA-N 470.356 5.546 50 10 JKGE COc1ccc(-c2nn(Cc3cccc(Cl)c3)c3c2[C@@H](c2ccc(O)cc2)C(C#N)=C(N)O3)cc1 1865683659 HKHUOMQPSDJFIP-QHCPKHFHSA-N 484.943 5.184 50 10 JKGE CCOc1ccc([C@@H]2C(C#N)=C(N)Oc3c2c(C(F)(F)F)nn3Cc2c(F)cccc2Cl)cc1 1865693556 KPFMTEPGKXEJGE-GOSISDBHSA-N 492.860 5.360 50 10 JKGE N#CC1=C(N)Oc2c(c(C(F)(F)F)nn2-c2ccccc2Cl)[C@@H]1c1ccc(Cl)c([N+](=O)[O-])c1 1865706061 MRCQRMUIDREXIE-OAHLLOKOSA-N 496.232 5.324 50 10 JKGE CCc1ccc([C@H]2C(C#N)=C(N)Oc3c2c(-c2ccc(OC)cc2)nn3Cc2cccc(Cl)c2)cc1 1865709111 NYLXPHFXHYMXOS-VWLOTQADSA-N 496.998 6.041 50 10 JKGE COc1ccc(-c2nn(CC(C)C)c3c2[C@H](c2ccc(C(F)(F)F)cc2)C(C#N)=C(N)O3)cc1 1865710681 FBHNYHBTILIJLK-HXUWFJFHSA-N 468.479 5.452 50 10 JKGE N#CC1=C(N)Oc2c(c(-c3ccccc3)nn2Cc2ccccc2)[C@@H]1c1ccc(C(F)(F)F)cc1 1865710768 HTQVJZXRNDJQAA-JOCHJYFZSA-N 472.470 5.835 50 10 JKGE CCc1nn(-c2ccc(OC)cc2)c2c1[C@@H](c1cccc(OCc3ccccc3)c1)C(C#N)=C(N)O2 1865711829 IUQUYYZOYYVPTA-SANMLTNESA-N 478.552 5.240 50 10 JKGE N#CSc1ccc(NC(=O)[C@@H](Cc2ccccc2)NC(=O)CCc2c[nH]c3ccccc23)cc1 1866574984 CZRDGIFOZQEFJX-RUZDIDTESA-N 468.582 5.040 50 10 JKGE Cc1ccc(-c2nc(Nc3ccc(SC#N)cc3)cc(N3CCN(c4ccccc4)C(=O)C3)n2)cc1 1868320213 FNUXQKYPJUYPCX-UHFFFAOYSA-N 492.608 5.622 50 10 JKGE C[C@@H](c1ccccc1)N1C[C@H](/C(O)=C(\C#N)c2nc(-c3ccc4c(c3)CCCC4)cs2)CC1=O 1872745156 CKBQUROXNDDAGC-TVHZHOFLSA-N 469.610 6.091 50 10 JKGE CC(C)c1ccc(-c2csc(/C(C#N)=C(\O)[C@H](C(C)C)N3C(=O)c4ccccc4C3=O)n2)cc1 1872751927 HSZTWSYNBUEQOH-HHUUSFLGSA-N 471.582 6.047 50 10 JKGE CC(C)N1C(=O)c2ccc(/C(O)=C(\C#N)c3nc(-c4cccc5ccccc45)cs3)cc2C1=O 1872752869 XALDTRHNTITOFA-GYHWCHFESA-N 465.534 5.918 50 10 JKGE Cc1cc(C)c(-c2csc(/C(C#N)=C(\O)c3ccc(N4CCOCC4)c([N+](=O)[O-])c3)n2)c(C)c1 1872755826 IDXPFDLWBORZMJ-CLCOLTQESA-N 476.558 5.430 50 10 JKGE COc1ccc(/C=C/C(O)=C(\C#N)c2nc(-c3ccc(OC)c(OC)c3OC)cs2)cc1 1872759787 ZRHAJRXJQWAVOI-QSKRLOCZSA-N 450.516 5.351 50 10 JKGE CCN(Cc1ccccc1)c1ccc(/C=C(\C#N)c2nc(-c3ccccc3OC)cs2)cc1 1872784077 BDWPQRHKBMSLPW-HAVVHWLPSA-N 451.595 6.909 50 10 JKGE CCN(Cc1ccccc1)c1ccc(/C=C(\C#N)c2nc(-c3ccc(C(C)C)cc3)cs2)cc1 1872791387 HDNHTGSGVMXZOU-OVVQPSECSA-N 463.650 8.024 50 10 JKGE COc1c(Cl)cc(-c2csc(/C(C#N)=C/c3ccc(OCc4ccccc4)cc3)n2)cc1Cl 1872794683 PZGVMFKRVZFCQT-RGVLZGJSSA-N 493.415 7.769 50 10 JKGE COc1cc(/C=C(\C#N)c2nc(-c3ccc(Cl)s3)cs2)ccc1OCc1ccccc1 1872794714 RLMMZSHVWNCQDO-WOJGMQOQSA-N 464.999 7.177 50 10 JKGE COc1ccc(OC)c(-c2csc(/C(C#N)=C(\O)[C@@H]3CC(=O)N([C@@H](C)c4ccccc4)C3)n2)c1 1873920492 GTZLGSHUZNMJBD-LPEWBGALSA-N 475.570 5.230 50 10 JKGE N#C/C(=C(/O)Cc1ccc(OCc2ccccc2)cc1)c1nc(-c2cccc([N+](=O)[O-])c2)cs1 1873941014 RUVQVMAACDLNCT-BZZOAKBMSA-N 469.522 6.333 50 10 JKGE CCc1nn(C)c([C@H](Br)c2sc(C)c(Br)c2C)c1Br 1877185140 ALMCVALCCLGYFE-NSHDSACASA-N 471.056 5.670 50 10 JKGE CCN(C[C@@](C)(CI)OCCCOCc1ccccc1)C(=O)OC(C)(C)C 1881763848 WGVKMWCHPDWGMU-OAQYLSRUSA-N 491.410 5.061 50 10 JKGE Cc1c(Cl)cccc1[C@H](Br)c1sc(Br)cc1Br 1922934827 KCLDDALUCCEMEH-NSHDSACASA-N 459.428 6.719 50 10 JKGE CCCCC1CCC([C@H](Br)c2sc(Br)cc2Br)CC1 1922954266 MHMYECGMOAROAD-MGULZYLOSA-N 473.112 7.706 50 10 JKGE COc1cc(OC)cc([C@@H](Cl)c2c(Br)sc(Br)c2Cl)c1 1923048447 HFEQSUNCWSNDDS-SNVBAGLBSA-N 461.002 6.272 50 10 JKGE Cc1cc(Cl)ccc1[C@H](Br)c1c(Br)sc(Br)c1Cl 1923054439 FOZILOXOQDLBEW-VIFPVBQESA-N 493.873 7.373 50 10 JKGE Fc1cc([C@H](Cl)c2c(Br)sc(Br)c2Cl)cc(F)c1F 1923065512 DEYAXFNAZVAWDU-ZETCQYMHSA-N 454.920 6.672 50 10 JKGE CC1(C)CO[C@H]([C@H](Br)c2c(Br)sc(Br)c2Cl)C1 2001535797 RCBIVJHGKGFPBG-FSPLSTOPSA-N 467.448 6.178 50 10 JKGE Cn1cc([C@@H](Br)c2c(Cl)sc(Br)c2Cl)c(Br)n1 2005279194 NXCMDRAIRNSIKR-RXMQYKEDSA-N 483.838 5.798 50 10 JKGE CC(C)(C)N(CCCBr)C(=O)c1csc(Br)c1Br 2032958769 LYOYAMLQUSIOJI-UHFFFAOYSA-N 462.045 5.299 50 10 JKGE Cn1nc([C@@H](Br)c2cc(C3CC3)c(Br)s2)cc1Br 2033617994 CSQYPTNRKJUIQE-LLVKDONJSA-N 455.013 5.368 50 10 JKGE COc1ccc([C@@H](Br)c2scc(C)c2Br)cc1Br 2039335476 DOQVYRVANZYCFQ-GFCCVEGCSA-N 455.009 6.074 50 10 JKGE Cl[C@H](c1c(Br)sc(Br)c1Br)[C@@H]1[C@H]2CCCCC[C@H]21 2048338745 YXALOONRNQXYQN-RFOGZPIASA-N 477.487 7.142 50 10 JKGE Fc1cc(Cl)c(Br)cc1[C@H](Cl)c1cc(Br)c(Cl)s1 2052446679 VKWUOCWNOCDRIB-JTQLQIEISA-N 453.385 7.047 50 10 JKGE 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 2069358164 BYOULNBXJIWWLD-RBFPJYLRSA-N 458.602 5.951 50 10 JKGE CCN(C[C@@](C)(CBr)OCc1ccc(F)cc1Br)C(=O)OC(C)(C)C 2085376135 OSYYERAHQBAGHY-GOSISDBHSA-N 483.216 5.515 50 10 JKGE C[C@@]1(n2c(CCl)nc3cc(Br)c(Cl)cc32)CCN(Cc2ccccc2)C1 2103624521 QBYRTLBNVNQTCT-HXUWFJFHSA-N 453.211 5.812 50 10 JKGE CN(C[C@@H](Br)C1CCCC1)C(=O)c1scc(Br)c1Br 2111357705 CAQGNWZEIQGYHM-SECBINFHSA-N 474.056 5.299 50 10 JKGE Clc1ccc([C@@H](CBr)Cc2cc(Br)ccc2Br)cc1 2118524851 NRGDYUOZXISVBF-GFCCVEGCSA-N 467.426 6.586 50 10 JKGE C[C@@H](c1cscc1Br)N(C)c1ccc(CBr)cc1Br 2130023507 HAFUMKUNGZHPCU-VIFPVBQESA-N 468.052 6.365 50 10 JKGE C[C@]12C[C@](COc3c(Br)cc(CBr)cc3Br)(CO1)C2 2138023165 FDZMNSIUEYFTJA-OKILXGFUSA-N 454.984 5.054 50 10 JKGE COc1c(Cl)cc(Br)cc1[C@@H](Br)c1ccc(OCc2ccccc2)cc1 2138249102 VDNDVJWVXQIKCZ-FQEVSTJZSA-N 496.626 7.174 50 10 JKGE C[C@@H]1CC[C@](C)([C@@H](Br)c2ccc(Br)cc2Br)C1(C)C 2138848742 HMIUZPLLOSRODS-FUEDEBDSSA-N 453.056 7.110 50 10 JKGE Cc1c(Br)ccc([C@H](Br)Cc2ccc(F)cc2)c1Br 2138876867 UOEXIZRSGUAGBT-CQSZACIVSA-N 450.971 6.338 50 10 JKGE CN(Cc1ccc(I)c(Cl)c1)C1(CBr)CCSCC1 2142943746 OKECZVAQFHCENR-UHFFFAOYSA-N 474.633 5.037 50 10 JKGE Cc1cc(Br)c([C@H](Br)c2ccccc2C(C)C)cc1Br 2144084252 WBKVKIMHELWPFN-QGZVFWFLSA-N 461.035 7.128 50 10 JKGE C[C@H](Cl)c1nc2cc(I)c(F)cc2n1C1CC(COCc2ccccc2)C1 2149051499 PFAJEBLFIZETRN-JEYLPNPQSA-N 498.767 6.248 50 10 JKGE CC1(C)CCC[C@@]1(CBr)NC(=O)c1ccc(Br)cc1Br 2150545480 NPXVZNXHMJTVQC-HNNXBMFYSA-N 468.027 5.285 50 10 JKGE CCc1cc([C@@H](Br)c2cc(Cl)ccc2I)c(F)cc1F 2175375156 OHRLXDOABXHAJY-OAHLLOKOSA-N 471.510 6.270 50 10 JKGE Cc1c(F)cc(CBr)cc1S(=O)(=O)N(Cc1ccccc1)C1CCCCC1 2179864214 YLYLVQDGAZKULO-UHFFFAOYSA-N 454.405 5.553 50 10 JKGE CC(C)(C)OC(=O)N1CCN(CC2(CBr)CCCCCC2)C[C@H]1C(F)(F)F 2186714525 IELGWXBGYNIYPA-HNNXBMFYSA-N 457.375 5.206 50 10 JKGE ClCc1nc2cc(I)ccc2n1C[C@@]12CC[C@H]1CN(Cc1ccccc1)C2 2201228023 ILKHAJOHNRYYGG-JTSKRJEESA-N 491.804 5.292 50 10 JKGE COc1cc(C)c([C@H](Cl)c2ccc(I)c(C)c2)cc1Br 2207111249 OCYBERJSKCBJQY-MRXNPFEDSA-N 465.556 6.007 50 10 JKGE Cc1c(Br)sc([C@H](Br)c2cc(Cl)ccc2Br)c1C 2218788629 DROPIFSEFYUUGA-LLVKDONJSA-N 473.455 7.028 50 10 JKGE Cc1cc([C@H](Br)c2sc(Br)c(C)c2C)ccc1Br 2218789971 KCKZNRUFUWZDJM-LBPRGKRZSA-N 453.037 6.683 50 10 JKGE COc1cc(Br)c([C@@H](Br)c2cc(Br)sn2)cc1C 2220439325 SXPPIYKPKXDQKU-GFCCVEGCSA-N 455.997 5.469 50 10 JKGE Cc1sc(C[C@@H](Br)c2cccc(Br)c2)c(Br)c1C 2221821549 CGQZHNCOFIISJU-GFCCVEGCSA-N 453.037 6.569 50 10 JKGE CC1(C)CCN(Cc2ccccc2)CCN1c1ccc(CBr)cc1Br 2223453691 FDNFMJZDFHHZNF-UHFFFAOYSA-N 466.261 5.835 50 10 JKGE Cc1cc(Br)c([C@@H](Br)c2cn(C)c(Br)n2)c(C)c1Cl 2224304030 DPYYJJLVMLRFKU-NSHDSACASA-N 471.418 5.700 50 10 JKGE CC[C@H]([C@@H](Br)c1c(Br)cc(Cl)c(Cl)c1Cl)C(C)(F)F 2224304933 OJYJNVAQQHQMBG-MLUIRONXSA-N 459.383 7.527 50 10 JKGE C[C@@H]1OCCO[C@@H]1[C@H](Br)c1c(Br)cc(Cl)c(Cl)c1Cl 2224316089 AINJMOCZVJFIEF-VJCIZTBISA-N 453.385 5.649 50 10 JKGE Cc1cc(Br)c([C@H](Cl)c2cccc(OCc3ccccc3)c2)c(C)c1Cl 2224319580 GDSSUHAKCMHYGB-JOCHJYFZSA-N 450.203 7.627 50 10 JKGE CC(C)(C1CCCC1)[C@H](Br)c1cc(Br)c(Br)cc1F 2225614905 AOQPZPHDQWSNKF-CQSZACIVSA-N 457.019 7.003 50 10 JKGE CC(F)(F)C1([C@@H](Br)c2cc(Br)c(Br)cc2F)CCC1 2225616880 JNIMYXZLADGYMY-NSHDSACASA-N 464.945 6.612 50 10 JKGE Cc1cc(F)cc([C@H](Br)c2cc(Br)c(Br)cc2F)c1 2225617039 RNSSSTHCANWFHL-AWEZNQCLSA-N 454.934 6.283 50 10 JKGE Cc1c([C@@H](Cl)c2cc(Br)c(Br)cc2F)nn(C)c1Br 2225617919 WNUFKAGYZLSUOQ-JTQLQIEISA-N 475.381 5.483 50 10 JKGE COc1cccc([C@H](Br)c2cc(Br)c(Br)cc2F)c1 2225618110 XSMJKQLAYSOUJC-AWEZNQCLSA-N 452.943 5.844 50 10 JKGE Fc1cc(Cl)cc([C@@H](Br)c2cc(Br)c(Br)cc2F)c1 2225618872 BKCBEVVXAGFOQV-CYBMUJFWSA-N 475.352 6.628 50 10 JKGE C[C@H](Cl)c1nc2c(F)cc(Br)cc2n1[C@@H]1CCCN(Cc2ccccc2)C1 2232916316 OZZPJJBGTZOTSI-WMLDXEAASA-N 450.783 6.075 50 10 JKGE Fc1cc(Br)c(Br)cc1[C@@H](Br)C1(C(F)(F)F)CCCC1 2233976078 NMIUBOQJHUOCBI-LLVKDONJSA-N 482.935 6.909 50 10 JKGE Cc1sc([C@H](Cl)c2cc(I)cc3c2OCC3)c(C)c1Br 2234468446 FXPVQYGKOKXNAI-CYBMUJFWSA-N 483.596 5.995 50 10 JKGE C[C@H](CCCCCI)NC(=O)Cc1ccc(Br)cc1Cl 2237440803 NSXIDVNNSHHXEL-LLVKDONJSA-N 472.592 5.145 50 10 JKGE Clc1cccc(Br)c1[C@@H](Br)c1ccc2c(c1Br)CCO2 2238071777 QIZUMCPOMPZMAC-HNNXBMFYSA-N 481.409 6.284 50 10 JKGE Cl[C@H](c1ccc([C@@H]2CCOC2)s1)c1cc(Br)ccc1I 2240440059 YSIRPIJPOHSQMN-PSLIRLAXSA-N 483.596 5.947 50 10 JKGE O=C(c1cccc(Cl)c1Br)N(Cc1ccccc1)C1(CBr)CCC1 2248096847 UGFIJQFVTASPSN-UHFFFAOYSA-N 471.620 6.063 50 10 JKGE COc1ccc([C@@H](Br)c2ncsc2Br)cc1I 2248887314 IZUDBQWYOXLURG-SECBINFHSA-N 488.970 5.003 50 10 JKGE Cc1sc([C@@H](Br)c2cc(F)ccc2Br)c(Br)c1C 2253503708 GLSDIWCYECWBDY-LBPRGKRZSA-N 457.000 6.513 50 10 JKGE COc1ccc([C@@H](Br)c2cc(C)c(Br)o2)cc1I 2257357115 WSSAYBXHLRYRRD-GFCCVEGCSA-N 485.941 5.448 50 10 JKGE Fc1cc(Br)c(F)c(Br)c1[C@@H](Br)c1sccc1Cl 2259999982 WKMBVUHBTWRMOD-SECBINFHSA-N 481.381 6.689 50 10 JKGE COc1cc(Cl)c(Cl)cc1[C@H](Br)c1ccccc1OCc1ccccc1 2264363415 UTVAXFPIYKMWID-OAQYLSRUSA-N 452.175 7.065 50 10 JKGE COc1ccc([C@@H](Br)c2cc(C)sc2Br)c(Br)c1Cl 2268281212 UVJOEEJEXKLGFM-SNVBAGLBSA-N 489.454 6.728 50 10 JKGE COc1cc(C)c(Br)c(C)c1[C@@H](Cl)c1cc(I)sn1 2269597690 IDVVEOFHMGVTSG-ZDUSSCGKSA-N 472.573 5.464 50 10 JKGE COc1c([C@@H](Br)c2cc(Br)c(C)cc2Br)csc1C 2271612294 RHAMTQDNZAJYGB-ZDUSSCGKSA-N 469.036 6.383 50 10 JKGE BrCc1cc(Br)c(OC[C@@]23CCC[C@H]2CC3)c(Br)c1 2273502676 VLQDBJVNBMRVBL-NHYWBVRUSA-N 453.012 6.066 50 10 JKGE FC1(F)[C@@H]2CC[C@H]([C@H](Br)Cc3cc(Br)cc(Br)c3)[C@@H]21 2277954839 GQQBBZWOTNRWGH-LPWJVIDDSA-N 458.966 5.809 50 10 JKGE Cc1nn(C)c([C@@H](Cl)Cc2cc(Br)cc(Br)c2)c1Br 2277959497 UHOXLMLOQYPTDW-NSHDSACASA-N 471.418 5.539 50 10 JKGE Cc1cccc([C@@H](Br)Cc2cc(Br)cc(Br)c2)c1Cl 2277960021 DNCALYGFCQNUJY-AWEZNQCLSA-N 467.426 6.852 50 10 JKGE Cc1ccc(Br)cc1[C@@H](Br)c1c(Br)cc(C)c(F)c1C 2279157561 QNUAEMLUDGEUBZ-OAHLLOKOSA-N 464.998 6.760 50 10 JKGE COc1ccc([C@@H](Cl)c2ccc(Br)cc2Cl)c(Br)c1Cl 2283554136 NEIHPOKFSBBVQX-ZDUSSCGKSA-N 459.392 6.855 50 10 JKGE CC(C)(C)OC(=O)NC[C@@H]1C[C@H](C(F)(F)F)CCN1CCCCCCCBr 2294701160 OJZZDKNAHNOATO-CVEARBPZSA-N 459.391 5.499 50 10 JKGE CC(C)c1ccccc1[C@@H](Br)Cc1cc(Br)cc(Br)c1 2295339450 JBRJCBPMVIKBKJ-KRWDZBQOSA-N 461.035 7.014 50 10 JKGE CCOc1ccc(-c2csc(C(C#N)=CNc3ccc4c(C(F)(F)F)cc(=O)oc4c3)n2)cc1 2295948566 LWJWSXTXWLKEJM-UHFFFAOYSA-N 483.471 6.311 50 10 JKGE Cc1cccc(NC(SCc2cccc(Cl)c2)=C(C#N)S(=O)(=O)c2ccccc2)c1 2297350046 PVMUFCCNXSGRPQ-UHFFFAOYSA-N 455.004 6.160 50 10 JKGE COc1cc(C=C(C#N)C(=O)Nc2cccc(Cl)c2)ccc1OCc1cccc(C(=O)O)c1 2313562289 KOPMILIIAVZETR-UHFFFAOYSA-N 462.889 5.171 50 10 JKGE N#CC(=Cc1cccc(OCc2ccc(Br)cc2)c1)C(=O)Nc1ccccc1Cl 2313631217 MHUXLRVXWJCZCG-UHFFFAOYSA-N 467.750 6.227 50 10 JKGE Cc1cccc(NC(=O)C(C#N)=Cc2cn(Cc3ccc(Cl)cc3Cl)c3ccccc23)c1C 2313667016 BZVAXVLIHUXCTG-UHFFFAOYSA-N 474.391 7.159 50 10 JKGE CCc1ccc(N2C(=O)[C@@H](Cc3ccc(Cl)cc3)SC2=C(C#N)C(=O)Nc2ccccc2)cc1 2314593082 HHICETWFOSVXFV-XMMPIXPASA-N 488.012 5.967 50 10 JKGE CCOc1ccc(-c2nn(-c3ccccc3)cc2C=C2C(=O)N(C(C)C)C(=O)C(C#N)=C2C)cc1F 2314610936 OMQMYNKBWPMKSC-UHFFFAOYSA-N 484.531 5.078 50 10 JKGE CCOc1ccc(-c2c(C)sc(NC(=O)C(C#N)=Cc3ccc(C(C)C)cc3)c2C(=O)OC)cc1 2314754175 MJORABUEZIAHTI-UHFFFAOYSA-N 488.609 6.578 50 10 JKGE Cc1cc(Br)c(F)c(Br)c1[C@@H](Cl)c1sccc1Br 2317395591 KBYTZKAETLQJFG-SNVBAGLBSA-N 477.418 6.811 50 10 JKGE COCc1ccc([C@H](Br)c2c(Br)sc(Br)c2Cl)s1 2319550780 YHGXIPPBKQRWHE-QMMMGPOBSA-N 495.483 6.619 50 10 JKGE BrCC(CBr)(Cc1nc(Br)cs1)c1ccccc1 2320004060 DUDNPIXSLPXOOA-UHFFFAOYSA-N 454.025 5.176 50 10 JKGE C[C@@H]1[C@H](Br)CCN(Cc2ccc(I)c(Br)c2)[C@@H]1C 2325229876 QEXOXHCXUHAOBH-HOSYDEDBSA-N 487.017 5.048 50 10 JKGE C[C@H](C(O)=C(C#N)c1nc(-c2ccc(Cl)cc2Cl)cs1)N1C(=O)c2ccccc2C1=O 2331250712 WZIJKATYNYOYBA-LLVKDONJSA-N 470.337 5.594 50 10 JKGE N#CC(=C(O)c1cc(C(F)(F)F)cc(C(F)(F)F)c1)c1nc(-c2ccc3c(c2)OCO3)cs1 2331335828 QTOYGWLYRFFCSW-UHFFFAOYSA-N 484.377 6.526 50 10 JKGE CCc1cccc(C)c1N1C[C@H](C(O)=C(C#N)c2nc(-c3c(C)c(C)cc(C)c3C)cs2)CC1=O 2331364413 BZWHZKMYHHFRJN-JOCHJYFZSA-N 485.653 6.760 50 10 JKGE CCCCCCCOc1ccc(-c2csc(C(C#N)=Cc3ccc(OCCC)cc3)n2)cc1 2331459698 LNJXAKBRCPUFHH-UHFFFAOYSA-N 460.643 8.012 50 10 JKGE CCC(CC)([C@@H](Br)c1ccc(OCc2ccccc2)cc1Br)C(F)(F)F 2336052407 AJUTWIIPPHYQOO-SFHVURJKSA-N 494.189 7.833 50 10 JKGE CC1(C)CCC[C@H]([C@@H](Br)c2cc(Br)ccc2OCc2ccccc2)CC1 2336077110 FKUYTKYAOLRCBG-PGRDOPGGSA-N 480.284 8.071 50 10 JKGE Fc1ccc(Cl)c(F)c1[C@@H](Cl)c1cc(Br)ccc1OCc1ccccc1 2336080740 MNXWTHKPNDFYHP-IBGZPJMESA-N 458.129 7.288 50 10 JKGE Cc1nc(N(C)Cc2c(Br)cccc2Br)sc1CBr 2340606762 QEBQLLTVGVXGRZ-UHFFFAOYSA-N 469.040 5.508 50 10 JKGE C[C@@H](c1ccncc1F)[C@@H](Br)c1ccc(I)c(Br)c1 2344694930 HNTROSSERPJCGK-RMLUDKJBSA-N 498.959 5.828 50 10 JKGE Clc1cc(Br)c([C@H](Br)C[C@H]2CCC[C@@H]3C[C@@H]32)c(Cl)c1Cl 2358398980 OFJCRQKUVKYVMQ-DOLQZWNJSA-N 461.452 7.672 50 10 JKGE Fc1cc([C@H](Cl)c2c(F)cc(Cl)c(Br)c2Cl)ccc1Br 2360494004 SOJXXOCBHSLBSM-LBPRGKRZSA-N 465.346 7.125 50 10 JKGE CC[C@](C)(CO[C@@](C)(CI)c1ccccc1Br)C(F)F 2361588006 HHSFDTXRHSYLAU-CABCVRRESA-N 461.128 5.797 50 10 JKGE COC[C@@H]1CC[C@@H]([C@H](Br)c2c(C)cc(Br)c(F)c2Br)C1 2365191883 SBNIUSVSYVMSEF-BREBYQMCSA-N 473.018 6.158 50 10 JKGE COC1CC2(C1)CC(CBr)(Cc1ccc(Cl)cc1I)C2 2366728579 FMWHJICNYALPSJ-UHFFFAOYSA-N 469.588 5.457 50 10 JKGE Clc1cc(Cl)cc(CC[C@@H](Br)c2ccc(Br)cc2Cl)c1 2366890844 TXCIKPJYNIMUJK-CQSZACIVSA-N 457.420 7.478 50 10 JKGE CCOC(=O)/C(C#N)=C/c1cc(Br)c(OC(=O)/C=C/c2ccccc2Cl)c(OC)c1 936163 RGJQQXKZDIFSDN-OFZPYADDSA-N 490.737 5.200 50 10 JKGE CCn1c(SCC(=O)C(C#N)=C2N(C)c3ccccc3N2C)nnc1-c1ccc(C(C)(C)C)cc1 23015026 GLYKXQRXBKDWIX-UHFFFAOYSA-N 486.645 5.245 50 10 JKGE CCc1cccc(CC)c1NC(=O)/C(C#N)=C\c1c(C)nn(-c2ccccc2)c1N1CCCC1 33499233 DLVOHZLZXUIOBT-NKFKGCMQSA-N 453.590 5.451 50 10 JKGE CC(/C=C/c1ccccc1)=N\NC(=O)COc1c(C)cc(Br)cc1Br 33959034 RIFDFDMGJIFHPK-LXCYGRFXSA-N 466.173 5.104 50 10 JKGE Cc1ccc(OCC(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@H]3c2ccc(C(C)(C)C)cc2)cc1 38649718 DKRSZPJHEQBCNH-MHZLTWQESA-N 468.553 5.495 50 10 JKGE CCOc1cccc(C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@H]3c2ccc(SC)cc2)c1 38682517 QOQBSDOJYXJSAL-DEOSSOPVSA-N 458.539 5.245 50 10 JKGE N#C/C(=C\c1ccc(-c2c(Cl)cccc2Cl)o1)C(=O)Nc1ccc(Cl)cc1Cl 39884610 WHDKXWFWHBHIJU-DHZHZOJOSA-N 452.124 7.106 50 10 JKGE Cc1cc(C)cc(OC(=O)c2oc3c(c2C)/C(=N/NC(=O)c2ccccc2Br)CCC3)c1 40812838 VDVQLRWEGAPDOR-NHFJDJAPSA-N 495.373 5.657 50 10 JKGE Cc1cccc(NC(=O)c2oc3c(c2C)/C(=N/NC(=O)c2ccc(Cl)c([N+](=O)[O-])c2)CCC3)c1C 40813416 BDAGCYYCOUVEPM-TURZUDJPSA-N 494.935 5.489 50 10 JKGE Cc1cccc(-c2nn(-c3ccccc3)cc2/C=N/NC(=O)C(=O)Nc2cccc(Cl)c2Cl)c1 48573209 KHXAKTPZUZSOOW-CCVNUDIWSA-N 492.366 5.243 50 10 JKGE Cc1ccc(-n2nc(C)c(/C=N/NC(=O)[C@@H](C)Oc3ccc(Cl)cc3Cl)c2C)cc1C 59165569 PKWURSSFUUUUHD-BXNHQAKUSA-N 459.377 5.330 50 10 JKGE CCOc1cc(/C=C(/C#N)C(=O)Nc2ccccc2CC)ccc1OCc1ccc(Cl)cc1Cl 59266422 IAVRNJWZPWROCS-BKUYFWCQSA-N 495.406 7.079 50 10 JKGE CCOc1ccc(NC(=O)/C(C#N)=C\c2cn(Cc3ccccc3Cl)c3ccccc23)cc1 96476263 UMAGFQGEFBSVCZ-HKWRFOASSA-N 455.945 6.287 50 10 JKGE BrC[C@@H](Cc1cccc(Br)c1)Cc1ccc(Br)s1 97184722 SMMMBBDLDGIQPO-NSHDSACASA-N 453.037 6.069 50 10 JKGE N#C/C(=C/c1ccc(OCCOc2ccc(C3CCCCC3)cc2)cc1)C(=O)Nc1ccccc1 97610480 MXDSCERRLXUTHS-QLYXXIJNSA-N 466.581 6.738 50 10 JKGE CC(C)OC(=O)c1ccc(NC(=O)[C@@H](Br)[C@H](Br)c2ccccc2)cc1 101051517 JUZNUSOWWHFHPJ-SJORKVTESA-N 469.173 5.090 50 10 JKGE COc1ccc(S(=O)(=O)Nc2ccc(C)cc2)cc1N/C=C(\C=O)c1nc2cc(Cl)ccc2o1 101112559 ZOHNHKVPDORMAI-DTQAZKPQSA-N 497.960 5.251 50 10 JKGE C=CCN1C(=O)C(C#N)=C(C)/C(=C\c2cn(-c3ccccc3)nc2-c2ccc(OC(C)C)cc2)C1=O 101231017 KFEARCYXVFDSLF-PCLIKHOPSA-N 478.552 5.105 50 10 JKGE CCCCOc1ccccc1/C=C(/C#N)C(=O)Nc1ncc(Cc2ccc(Cl)cc2Cl)s1 102958493 XZIQLIJPMFLXFS-WQRHYEAKSA-N 486.424 6.765 50 10 JKGE CCSCCCC(CBr)(CBr)c1cccc(Br)c1 124358789 ZYWUEZFVSRLOLF-UHFFFAOYSA-N 459.085 6.010 50 10 JKGE Fc1cc(F)c([C@@H](Br)c2cc(Br)c(Br)s2)c(F)c1 128191528 MBZPNTIZTDLSNJ-JTQLQIEISA-N 464.926 6.175 50 10 JKGE Cc1cc([C@H](Br)c2cccc(F)c2Br)c(C)cc1Br 156119587 AJBNTHRGWISZMX-CQSZACIVSA-N 450.971 6.452 50 10 JKGE CC1=C(C#N)C(=O)N(Cc2ccc(C)cc2)C(=O)/C1=C\c1ccc(OCc2ccc(C)cc2)cc1 214382658 LQVWAVZKMLCNSS-YUMHPJSZSA-N 462.549 5.675 50 10 JKGE ClCc1nc2ccc(Br)cc2n1-c1c(Br)cccc1Br 232133897 QQFVYHBZEWWMPH-UHFFFAOYSA-N 479.397 6.052 50 10 JKGE BrCc1cc(Br)c(O[C@@H]2CCOC3(CCC3)C2)c(Br)c1 232454847 XDGFDWORWJEBBH-LLVKDONJSA-N 469.011 5.587 50 10 JKGE CC(C)Oc1ccc([C@@H](Br)c2cc(Br)sc2Br)cc1 232669918 FRAJSVQAXUNUKA-CYBMUJFWSA-N 469.036 6.545 50 10 JKGE CC1CCC(CBr)(NC(=O)c2cc(Br)cc(Br)c2)CC1 232803412 ZUNQCWXKDBRBPL-UHFFFAOYSA-N 468.027 5.285 50 10 JKGE Clc1ccc(C[C@H](Cl)c2cc(Br)ccc2I)cc1Cl 236018613 WPBNCQDQKHLDCA-LBPRGKRZSA-N 490.393 6.883 50 10 JKGE Cl[C@@H](c1ccc2c(c1)OCCO2)c1cc(Br)ccc1I 236040632 IXEJQHZAJPFIDB-HNNXBMFYSA-N 465.512 5.153 50 10 JKGE Fc1cc(F)c([C@H](Br)c2cc(Cl)ccc2I)cc1F 236256627 XHGRFZWHVJKDTG-ZDUSSCGKSA-N 461.446 5.846 50 10 JKGE CC(=NNC(=O)CSCc1ccccc1Cl)c1cccc(NC(=O)c2cccc(Cl)c2)c1 252605993 GOMXSKIFRZFBCK-UHFFFAOYSA-N 486.424 6.019 50 10 JKGE O=C(NN=Cc1ccc(-c2ccc(F)cc2)o1)c1ccc(COc2cccc3cccnc23)cc1 254293537 GZURBBNUZKGTBB-UHFFFAOYSA-N 465.484 5.977 50 10 JKGE O=C(NN=Cc1cn(-c2ccccc2)nc1-c1cccs1)c1ccc(COc2ccccc2)cc1 254429468 VZNDJTNTAUTBAN-UHFFFAOYSA-N 478.577 5.944 50 10 JKGE Cc1ccc(-n2c(SCC(=O)NN=C/C=C/c3ccco3)nnc2-c2ccc(C(C)(C)C)cc2)cc1 254746202 NYUQWSDSZHWILY-DTKIUWMFSA-N 499.640 6.041 50 10 JKGE CC[C@H]1CCC[C@@H](OC2(CI)CCN(C(=O)OC(C)(C)C)CC2)C1 303741843 QCJJPGWMYJPVLU-JKSUJKDBSA-N 451.389 5.177 50 10 JKGE COc1cc([C@H](Br)c2ccc(OCc3ccccc3)cc2)c(OC)cc1Br 312909915 KOKRFMPWMHPFNV-JOCHJYFZSA-N 492.207 6.530 50 10 JKGE C[C@H](CCn1c(CCCl)nc2cc(F)c(Br)cc21)N(C)Cc1ccccc1 379613803 XOCKKVOZFYVQQU-OAHLLOKOSA-N 452.799 5.630 50 10 JKGE Cc1ccc(-n2c(CCl)nc3ccc(Br)cc32)cc1I 383546520 RIMZXDCKVTXJSS-UHFFFAOYSA-N 461.528 5.440 50 10 JKGE CC[C@H](C)[C@@H](CO[C@](C)(CI)c1ccccc1Br)OC 384681762 GKGUYBUDQAJCRO-APHBMKBZSA-N 455.174 5.177 50 10 JKGE C[C@H](Cl)c1nc2cc(F)c(Br)cc2n1C[C@@H]1CCCN1Cc1ccccc1 390553268 ZCYDIDDFYNEHLV-HOCLYGCPSA-N 450.783 5.902 50 10 JKGE Cc1cc(F)c([C@@H](Br)c2cc(Br)ccc2Br)cc1C 395849467 LYOXZCBOACTYSI-HNNXBMFYSA-N 450.971 6.452 50 10 JKGE CC(C)(C)[Si](C)(C)OCc1ccc([C@H]2CCCCN(S(=O)(=O)c3ccccc3)C2)cc1 616629961 WZCPABSACQDRIK-QHCPKHFHSA-N 459.728 6.167 50 10 JKGE COCc1cc(Br)c([C@H](Br)c2ccccc2Br)s1 688082919 GBUIFHTVRCCSQM-GFCCVEGCSA-N 455.009 5.904 50 10 JKGE Cc1nc(COc2c(Br)cc(Br)cc2CBr)c(C)s1 692475865 QFPVZHNEEKHZHL-UHFFFAOYSA-N 470.024 5.759 50 10 JKGE CC1(C)C[C@@H](Br)C[C@H](NC(=O)c2ccc(I)c(Cl)c2)C1 693889595 FCPLTLDYBVSDSQ-QWRGUYRKSA-N 470.576 5.017 50 10 JKGE BrCC(CBr)(Cc1ccccc1Br)C1CCCCCC1 696863643 AKJAQUMGGCRJBZ-UHFFFAOYSA-N 467.083 6.738 50 10 JKGE CO[C@@](C)(COCc1ccccc1)Cn1c(CCCl)nc2c(Br)cccc21 702784757 RNMQAEKOHQODMU-OAQYLSRUSA-N 451.792 5.202 50 10 JKGE Cc1cnc2c(c1)nc([C@H](C)Cl)n2CC1(N(Cc2ccccc2)Cc2ccccc2)COC1 705783326 MZWNBOPJEDLFDP-NRFANRHFSA-N 461.009 5.511 50 10 JKGE O=C(Oc1ccc(C=NNC(=O)c2ccccc2-n2cccc2)cc1)c1ccccc1Br 1084170532 IRXYGKGCJJZCTB-UHFFFAOYSA-N 488.341 5.223 50 10 JKGE Cc1cc(C=NNC(=O)CC[C@H](O)c2ccccc2)c(C)n1-c1ccc(OCc2ccccc2F)cc1 1084178036 PMNHSJZNCMGACJ-LJAQVGFWSA-N 499.586 5.776 50 10 JKGE COc1cc([N+](=O)[O-])ccc1-c1ccc(/C=C(\C#N)C(=O)Nc2cccc(Cl)c2Cl)o1 1084380241 IHOUHARRQHELJM-FMIVXFBMSA-N 458.257 5.716 50 10 JKGE COc1ccc(NC(=O)c2oc3c(c2C)C(=NNC(=O)c2cccc4ccccc24)CCC3)cc1 1772748957 UYWSAYNAGPVBAM-UHFFFAOYSA-N 467.525 5.473 50 10 JKGE COc1cccc(C(=O)NN=C2CCCc3oc(C(=O)Nc4ccc(C(C)C)cc4)c(C)c32)c1 1772749515 MIBLKBJOEABKLA-UHFFFAOYSA-N 459.546 5.443 50 10 JKGE CCCCCOc1ccc(C=NNC(=O)[C@@H](C)Oc2ccc(-c3ccccc3)cc2)cc1OC 1772755469 IUZKJNHRDPHHMU-OAQYLSRUSA-N 460.574 5.849 50 10 JKGE Cc1ccc(C)c(Cn2nc(-c3ccccc3)c3c2OC(N)=C(C#N)[C@@H]3c2ccc(N(C)C)cc2)c1 1865684369 XOHUJCNFWQBHDM-SANMLTNESA-N 475.596 5.499 50 10 JKGE COc1ccc(-c2nn(Cc3cccc(Cl)c3)c3c2[C@@H](c2cc(C)ccc2O)C(C#N)=C(N)O3)cc1 1865687576 VFFZOZPPFQLUKM-DEOSSOPVSA-N 498.970 5.493 50 10 JKGE CCCOc1cccc([C@@H]2C(C#N)=C(N)Oc3c2c(-c2ccccc2)nn3-c2ccc(C)cc2)c1 1865693147 HRFYHDKEFSFHBU-RUZDIDTESA-N 462.553 5.855 50 10 JKGE CCc1ccc([C@@H]2C(C#N)=C(N)Oc3c2c(C(F)(F)F)nn3Cc2ccccc2Cl)cc1 1865708530 AQECSQPWXKXFRF-GOSISDBHSA-N 458.871 5.384 50 10 JKGE N#CC1=C(N)Oc2c(c(C(F)(F)F)nn2Cc2cccc(Cl)c2)[C@H]1c1ccc(C(F)(F)F)cc1 1865711304 VISPHIJGEWULNB-INIZCTEOSA-N 498.814 5.841 50 10 JKGE CCCc1nn(-c2ccccc2Cl)c2c1[C@H](c1ccc(Br)cc1)C(C#N)=C(N)O2 1865714321 HDZOZGYVLJZLCI-LJQANCHMSA-N 469.770 5.459 50 10 JKGE C[C@H](CC(=O)N[C@H](Cc1ccc(O)cc1)C(=O)Nc1ccc(SC#N)cc1)c1ccc(Cl)cc1 1866711096 XFWFMMCGYDOPNL-MZNJEOGPSA-N 494.016 5.479 50 10 JKGE Cc1ccccc1-c1nc(Nc2ccc(SC#N)cc2)cc(N2CCN(C)[C@@H](c3ccccc3)C2)n1 1868300805 IEVNAUOAFFPPLO-AREMUKBSSA-N 492.652 6.262 50 10 JKGE COc1cccc(-c2nc(Nc3ccc(SC#N)cc3)cc(N3CCc4nc[nH]c4[C@@H]3C)n2)c1 1868504925 AQVSWXNUPIADQW-INIZCTEOSA-N 469.574 5.316 50 10 JKGE CCOc1cc(/C=C(\C#N)c2nc3ccccc3n2CC)ccc1OCc1c(Cl)cccc1Cl 1872731392 YYEHCFOLWMRFSY-XMHGGMMESA-N 492.406 7.405 50 10 JKGE CCOc1ccc(-c2csc(/C(C#N)=C(\O)c3cccc(OCC(C)C)c3)n2)c(OCC)c1 1872755540 SEBPFJACGFZLII-LVWGJNHUSA-N 464.587 6.592 50 10 JKGE CC[C@@H](C)N1C(=O)c2ccc(/C(O)=C(\C#N)c3nc(-c4c(C)cc(C)cc4C)cs3)cc2C1=O 1872757209 UVPWUIXOKOFGSZ-PJXFJRINSA-N 471.582 6.080 50 10 JKGE COc1ccc(-c2csc(/C(C#N)=C/c3ccc(OC(=O)c4ccccc4)cc3)n2)cc1OC 1872781911 VXBSIAOVAQLUPX-KGENOOAVSA-N 468.534 6.111 50 10 JKGE COc1cccc(/C=C(\C#N)c2nc(-c3ccc4c(c3)CCCC4)cs2)c1OCc1cccc(C)c1 1872782529 KRKQNSVISKOHKT-WPWMEQJKSA-N 492.644 7.649 50 10 JKGE CCCCCCOc1ccc(/C=C(\C#N)c2nc(-c3c[nH]c4ccccc34)cs2)cc1OC 1872791592 MXGCTMARXPMZEG-XSFVSMFZSA-N 457.599 7.323 50 10 JKGE CCOc1c(Br)cc(/C=C(\C#N)c2nc(-c3ccc(Cl)s3)cs2)cc1OC 1872794522 HAGSVKVEMRFGOB-WUXMJOGZSA-N 481.824 6.759 50 10 JKGE Cc1cc(S(=O)(=O)N(Cc2ccccc2)Cc2ccccc2)sc1CBr 1880810442 QWVFGULMNXMWRD-UHFFFAOYSA-N 450.423 5.343 50 10 JKGE FC1(F)C[C@H]1CCCOc1c(Br)cc(CBr)cc1Br 1885568863 XPSCZEQRERBXIJ-SECBINFHSA-N 462.954 5.921 50 10 JKGE CC[C@H](Br)CN(Cc1ccccc1)S(=O)(=O)c1c(Cl)cccc1Br 1915078788 UZVKBJBTPTXWTQ-AWEZNQCLSA-N 495.664 5.467 50 10 JKGE Cc1cc([C@H](Br)c2cc(Br)c(Br)s2)oc1Br 1917589091 ZQNVGOANGQSBTC-QMMMGPOBSA-N 493.840 6.421 50 10 JKGE Clc1cscc1[C@@H](Br)c1sc(Br)cc1Br 1922882677 MWWAHOURIFIPAY-MRVPVSSYSA-N 451.430 6.472 50 10 JKGE Cc1c(Br)sc([C@H](Br)[C@@H]2CC[C@H]3C[C@@H]2CO3)c1Br 1922928685 BOEVEFBIICGQMD-PKIKSRDPSA-N 459.041 5.833 50 10 JKGE Cl[C@H](Cc1ccncc1Br)c1ccc(Br)cc1Br 1924046543 BIYTVCYQVZENES-CYBMUJFWSA-N 454.387 5.892 50 10 JKGE C[C@@]1([C@@H](Cl)c2c(Br)sc(Br)c2Br)CCCO1 1924579330 DBBWSMBBSZQLTP-XVKPBYJWSA-N 453.421 5.885 50 10 JKGE Cc1cc(Br)sc1[C@H](Br)c1ccccc1I 1939447167 RIYNXZVNLWGYAQ-LLVKDONJSA-N 471.983 5.908 50 10 JKGE FC(F)CC1([C@@H](Br)c2cc(Br)c(Br)s2)CCC1 1946572672 DVLVBXHAMWTOGZ-VIFPVBQESA-N 452.984 6.535 50 10 JKGE Clc1c(Br)sc(Br)c1[C@@H](Br)[C@H]1CC2(CC2)CO1 2001646330 KBKRVEIFVUFFLF-VDTYLAMSSA-N 465.432 5.932 50 10 JKGE Cc1nn(C)c([C@H](Br)c2cc(Cl)c(Br)s2)c1Br 2017382510 CNDPPMRNOAEIJR-MRVPVSSYSA-N 463.420 5.453 50 10 JKGE Cc1sc(Br)c([C@@H](Br)c2cccc(I)c2)c1C 2024021179 AVMLDCGWTVGNPE-LBPRGKRZSA-N 486.010 6.216 50 10 JKGE Cc1cc([C@@H](Br)c2scc(C)c2Br)c(C)cc1Br 2039336879 ZVVGPEZRQANZSU-CYBMUJFWSA-N 453.037 6.683 50 10 JKGE Cc1cc(Br)c(CBr)c(N(Cc2ccccc2)[C@@H](C)c2cccs2)c1 2053220493 ZHHMPCJEZGOFCZ-INIZCTEOSA-N 479.281 7.482 50 10 JKGE CC1(COc2c(Br)cc(CBr)cc2Br)CCOCC1 2087546337 ORBBKFIJIMIUSZ-UHFFFAOYSA-N 457.000 5.302 50 10 JKGE C[C@@H]1Cc2cc([C@@H](Br)c3csc(Br)c3)cc(Br)c2O1 2090467224 LUQDZEJLYDKTMF-FUXBKTLASA-N 467.020 6.081 50 10 JKGE FC1(F)C[C@]12CCC[C@@H]([C@H](Br)c1cc(Br)c(Br)s1)C2 2099910381 DIZARQLPHWCGCF-INNHCVQGSA-N 479.022 6.925 50 10 JKGE Cc1c(Br)sc([C@@H](Br)[C@H]2CC3(CCCC3)CO2)c1Br 2109981492 XCJCUJSCDQLLEF-KOLCDFICSA-N 473.068 6.367 50 10 JKGE CC(C)(C)[C@@H](C[C@H](Cl)c1c(Br)sc(Br)c1Cl)C(F)F 2111375044 UONKKDVKEKFYHI-WDSKDSINSA-N 459.021 7.524 50 10 JKGE Cc1cc(Br)c([C@@H](Cl)c2nn(C)c(Br)c2C)cc1Br 2111926191 ILTVNPAKKMWIAQ-LLVKDONJSA-N 471.418 5.653 50 10 JKGE Cc1cc(Br)c(CBr)c(Oc2ccc(Br)cc2Cl)c1 2116824708 ROWCNMONHQEERM-UHFFFAOYSA-N 469.398 6.861 50 10 JKGE Brc1ccc(Br)c(CN2[C@H]3CCC[C@H]2CC(Br)C3)c1 2118526432 FVIRFPZJYDAZBV-KBPBESRZSA-N 452.028 5.492 50 10 JKGE CO[C@@H]1C[C@H]([C@@H](Br)c2cc(Br)ccc2Br)C12CCC2 2133847356 PUCQUYLQFDTQTJ-BNOWGMLFSA-N 453.012 5.853 50 10 JKGE Cc1cc(F)c(Cl)cc1[C@@H](Br)c1ccc(F)cc1I 2137067431 AIZQXULRJPVMOD-AWEZNQCLSA-N 457.483 6.016 50 10 JKGE Cc1c(Br)ccc([C@@H](Br)C(F)(F)C2CCCC2)c1Br 2138853698 QXLQVQWFPPBSNB-CYBMUJFWSA-N 460.982 6.782 50 10 JKGE CC1([C@H](Br)c2ccc(Br)cc2Br)CCCCCCC1 2138870385 ALXLETYBTIHQDU-OAHLLOKOSA-N 453.056 7.398 50 10 JKGE Fc1ccc(CBr)c(OCc2cc(Br)ccc2Br)c1 2139766185 RLVZTLQYFANFRY-UHFFFAOYSA-N 452.943 5.825 50 10 JKGE O=C(NC1(CCCBr)CCC1)c1cccc(Br)c1Br 2140851240 ITKUDYPJSXZFBK-UHFFFAOYSA-N 454.000 5.039 50 10 JKGE ClC[C@@H](Cc1ccccc1Br)Cc1cccc(Br)c1Br 2148755205 XTPLIJLBXOOEJI-NSHDSACASA-N 481.453 6.614 50 10 JKGE FC1(F)[C@H]([C@@H](Br)c2cc(I)cc3c2OCC3)C12CCC2 2149875338 VCRKHNDJGOPOHV-WCQYABFASA-N 455.080 5.098 50 10 JKGE Clc1cccc(C[C@H](CBr)Cc2c(Br)cccc2Br)c1 2150496159 RQRKSWZVKYFTII-LBPRGKRZSA-N 481.453 6.661 50 10 JKGE Fc1c(COc2cccc(Br)c2CBr)ccc(Cl)c1Br 2166830845 ILHDPKHKCWVIGY-UHFFFAOYSA-N 487.388 6.478 50 10 JKGE Cc1cc(Br)c(CBr)c(N2CCc3ccc(Br)cc32)c1 2173443437 CLNVAIFFVUCCDI-UHFFFAOYSA-N 460.007 6.109 50 10 JKGE F[C@]12CCC[C@@]1(CBr)CN(Cc1cc(Br)ccc1Br)C2 2176641955 WRZTUVXBZDCSEF-CABCVRRESA-N 470.018 5.301 50 10 JKGE CCc1nn(C)c([C@H](Br)c2ccc(OC)c(Br)c2)c1Br 2192385565 UWVLZEFKTOPXGO-GFCCVEGCSA-N 466.999 5.000 50 10 JKGE Clc1cc(Cl)cc(CO[C@@H](CI)c2ccccc2Br)c1 2197897010 YWJRIDDZWVIKEC-HNNXBMFYSA-N 485.974 6.449 50 10 JKGE COc1cc(Cl)c([C@@H](Cl)c2cc(Cl)cc(Br)c2)cc1Br 2202343379 FSVXCTKFZKSRCN-AWEZNQCLSA-N 459.392 6.855 50 10 JKGE Fc1ccc(Br)c(CO[C@@H](CI)c2ccccc2Cl)c1 2206271861 ACHIPHBPBUIFIR-HNNXBMFYSA-N 469.519 5.935 50 10 JKGE CCCC[C@H](C)CC[C@@H](Br)c1c(C)c(Br)cc(C)c1Br 2207148383 SDAJBKSFPXNJIF-SMDDNHRTSA-N 469.099 7.871 50 10 JKGE Cc1cc([C@H](Br)c2c(C)sc(Br)c2C)sc1Br 2213637081 REBFJZQJMMDZHF-JTQLQIEISA-N 459.066 6.744 50 10 JKGE Fc1cc(F)c(C[C@H](Br)c2ccccc2Br)c(Br)c1 2225599274 MIVYWCMQTBTCRS-ZDUSSCGKSA-N 454.934 6.169 50 10 JKGE Fc1cc(Br)c(Br)c2c1CC[C@@H](C(F)(F)F)C[C@@H]2Br 2225620314 SZJSBBNDJPKBCS-VDTYLAMSSA-N 468.908 6.302 50 10 JKGE CCC[C@H](CC(C)C)[C@@H](Br)c1cc(Br)c(Br)cc1F 2225633467 JYMJMASPDFYGBI-MEBBXXQBSA-N 459.035 7.249 50 10 JKGE CCOCc1cc(Br)c([C@@H](Br)c2cc(Br)c(C)s2)s1 2226087394 CELVHSDCLPMLQS-LBPRGKRZSA-N 489.092 6.664 50 10 JKGE Cc1ccc([C@@H](C)[C@@H](Br)c2c(Br)sc(Br)c2Cl)cc1 2232088207 PWCKEWLSONSWGB-LDYMZIIASA-N 487.482 7.475 50 10 JKGE CCc1ccccc1[C@@H](Br)c1c(Br)cc(Cl)c(Cl)c1Cl 2232513135 PTBFAEKWLBHRLZ-CYBMUJFWSA-N 457.420 7.456 50 10 JKGE Cc1cc(Br)c([C@@H](Br)c2ccc(F)c(Br)c2)c(C)c1Cl 2232527374 CUMSCVFLGCIMIZ-AWEZNQCLSA-N 485.416 7.105 50 10 JKGE O=C(Nc1ccccc1CCBr)c1cc(Cl)ccc1I 2238842897 AJUKGJOIOHWROP-UHFFFAOYSA-N 464.528 5.134 50 10 JKGE CC1([C@H](Br)c2cc(Br)ccc2Br)CC2(CC(F)(F)C2)C1 2238843243 CQROVXADBWUEHU-GFCCVEGCSA-N 472.993 6.863 50 10 JKGE O=C(Nc1ccccc1CCCl)c1cc(I)ccc1Br 2239240185 CGXATVBRYNZHSS-UHFFFAOYSA-N 464.528 5.087 50 10 JKGE COc1c([C@@H](Br)c2cc(Br)c(Br)s2)csc1Cl 2248563390 XVFXEMPGOCQKJB-SSDOTTSWSA-N 481.456 6.481 50 10 JKGE ClC[C@H](I)[C@@H](CCl)OCc1cc(Br)ccc1Cl 2252738193 XMIFKPPZHRFZLV-WDEREUQCSA-N 472.375 5.269 50 10 JKGE COC1(C[C@H](Br)c2c(F)cc(Br)c(F)c2Br)CCC1 2272848964 BMDMHMWYEURXFO-QMMMGPOBSA-N 462.954 5.885 50 10 JKGE O=[N+]([O-])c1ccc([C@@H](Br)Cc2cc(Br)cc(Br)c2)o1 2277960543 JBWUXPSEFLPEEZ-JTQLQIEISA-N 453.912 5.392 50 10 JKGE FC1(F)CCC[C@H]([C@H](Br)Cc2cc(Br)cc(Br)c2)C1 2277961538 VIOKAWBXZMFSGF-GXFFZTMASA-N 460.982 6.343 50 10 JKGE Clc1c(Br)csc1[C@@H](Cl)c1ccc(Br)c2ccccc12 2279283570 OBAGCEVGDASPIQ-ZDUSSCGKSA-N 451.010 7.408 50 10 JKGE Cc1cc(F)c(Br)cc1[C@@H](Br)c1cc(C2CC2)c(Br)s1 2285984843 YBZKRWHFETUIPF-CQSZACIVSA-N 483.038 7.082 50 10 JKGE CO[C@H](COc1c(Br)cc(CBr)cc1Br)CC(C)(C)C 2287303650 MDYDRGZNBYRGAS-NSHDSACASA-N 473.043 5.937 50 10 JKGE Cc1c(C=C(C#N)C(=O)NCc2ccco2)c2ccccc2n1Cc1ccc(Br)cc1 2293117077 SRGFYQKIAXIUGG-UHFFFAOYSA-N 474.358 5.577 50 10 JKGE N#CC(=Cc1cn(Cc2ccc(Cl)c(Cl)c2)c2ccccc12)C(=O)Nc1ccc(O)cc1 2297551933 ZWBJNFYRNOMEAJ-UHFFFAOYSA-N 462.336 6.248 50 10 JKGE Clc1nc(Oc2cc(Br)cc(Br)c2)sc1CBr 2301119993 ABUBCFQCOOKLIW-UHFFFAOYSA-N 462.388 6.009 50 10 JKGE Cc1ccc(COc2c(Cl)cc(C=C(C#N)C(=O)Nc3ccc(C)cc3)cc2Br)cc1 2313567198 CUMHVILDPWPLBI-UHFFFAOYSA-N 495.804 6.844 50 10 JKGE CCOc1cc(C=C(C#N)C(=O)Nc2ccc(C)cc2)ccc1OCc1ccc(Br)cc1 2313567272 FYOLYJATNYPUTF-UHFFFAOYSA-N 491.385 6.281 50 10 JKGE FC1(F)[C@@H]2CC[C@H]([C@@H](Br)c3cc(Br)ccc3OCc3ccccc3)[C@@H]21 2314451740 HMTMXXWTKNQXBM-QNDJGXFYSA-N 472.167 6.755 50 10 JKGE CC(C)(C)c1ccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)C=Cc4ccccc4)ccc32)cc1 2314634226 HQTSVVQHEPIWNO-HHHXNRCGSA-N 450.538 5.821 50 10 JKGE N#CC1=C(N)Oc2cc(OC(=O)C=Cc3ccc(Cl)cc3)ccc2[C@H]1c1ccc(Cl)c(Cl)c1 2314634568 JJSJUXZZTJNXEN-XMMPIXPASA-N 497.765 6.484 50 10 JKGE CCOc1ccc(C=C(C#N)C(=O)Nc2sc(C)c(-c3ccccc3)c2C(=O)OC)cc1OC 2314754584 WCMSTSQQTQIEED-UHFFFAOYSA-N 476.554 5.463 50 10 JKGE CCOC1([C@H](Br)c2c(Cl)cc(Br)c(F)c2Br)CC1 2315454464 XHQFQKUCFZREKW-LLVKDONJSA-N 465.382 6.009 50 10 JKGE Fc1c(Br)cc(Cl)c([C@@H](Br)[C@@H]2CCCOC2)c1Br 2315457370 BRWAPIQULVNWEF-LDWIPMOCSA-N 465.382 5.867 50 10 JKGE N#CC(=Cc1ccc(OC(=O)COc2ccc(Cl)cc2Cl)cc1)c1ccc(Cl)cc1 2320506541 LXZPMFMCLBGXJT-UHFFFAOYSA-N 458.728 6.695 50 10 JKGE CCc1ccc(-c2ccc(C(=O)NNC(=O)C(=Cc3ccc(OC)cc3)c3ccccc3)c(C)n2)cc1 2321141443 AEMLSFFPUYQPDR-UHFFFAOYSA-N 491.591 5.630 50 10 JKGE CCc1ccc(C(C)=CC(=O)N[C@@H](CCSC)C(=O)Nc2ccc(SC#N)cc2)cc1 2329521071 ZDRWYPXANPKBCX-QFIPXVFZSA-N 453.633 5.102 50 10 JKGE COC(=O)c1c(NC(=O)C(C#N)=Cc2ccc(OC)c(OC)c2)sc2c1CC[C@@H](C(C)(C)C)C2 2329703328 AQRKFLSZAXTISM-QGZVFWFLSA-N 482.602 5.249 50 10 JKGE COc1cccc(-c2csc(C(C#N)=C(O)[C@H](C)Oc3ccc(Cl)cc3Br)n2)c1 2331246724 PUKXKHUBAXVBBR-LBPRGKRZSA-N 491.794 6.495 50 10 JKGE CCOc1cc(C(O)=C(C#N)c2nc(-c3ccc(C(C)C)cc3)cs2)cc(OCC)c1OCC 2331340087 KHRZEVTXSFTXQQ-UHFFFAOYSA-N 478.614 7.079 50 10 JKGE CSCC[C@@H](C(O)=C(C#N)c1nc(-c2ccc(F)c(F)c2)cs1)N1C(=O)c2ccccc2C1=O 2331352452 XPQVEASOBIGYIZ-FQEVSTJZSA-N 497.548 5.299 50 10 JKGE Cc1cc(C)c(-c2csc(C(C#N)=C(O)c3cc([N+](=O)[O-])c(C)c([N+](=O)[O-])c3)n2)c(C)c1 2331394674 JGNNFEZHNOHZAV-UHFFFAOYSA-N 450.476 5.810 50 10 JKGE CCOc1ccc(C=CC(O)=C(C#N)c2nc(-c3cc(C(C)(C)C)ccc3C)cs2)cc1OC 2331396386 TYMRPMJWJIYWLT-UHFFFAOYSA-N 474.626 7.329 50 10 JKGE COc1ccc(-c2csc(C(C#N)=Cc3cccc(OCc4ccccc4)c3)n2)c(C)c1C 2331468251 PNSJXONVIIMYBN-UHFFFAOYSA-N 452.579 7.079 50 10 JKGE CCCc1ccc([C@@H](Br)c2ccc(OCc3ccccc3)cc2Br)cc1 2336044248 MJPYTKPZNAQQRT-HSZRJFAPSA-N 474.236 7.465 50 10 JKGE CC[C@](C)(C(F)F)[C@@H](Br)c1c(Br)cc(C)c(Br)c1C 2336618122 ICZBKTIIOCSMGZ-JSGCOSHPSA-N 462.998 6.946 50 10 JKGE Cc1csc([C@H](Cl)c2c(Cl)cc(Br)c(F)c2Br)c1Cl 2337099354 VYQOLSYRXPWRTO-SNVBAGLBSA-N 467.412 7.356 50 10 JKGE Fc1ccc([C@@H](Br)CCc2ccc(Cl)c(I)c2)cc1 2337218647 KUGUKFBCVHLYAJ-ZDUSSCGKSA-N 453.520 6.153 50 10 JKGE Cc1ccc(OCc2ccc(Cl)c(I)c2)c(CBr)c1 2337271306 VEMYSYZBKDWCLG-UHFFFAOYSA-N 451.529 5.727 50 10 JKGE Cn1cnc(Br)c1[C@H](Cl)c1c(Cl)cc(Br)c(F)c1Br 2337277398 SNZRNSIHPMZMOX-MRVPVSSYSA-N 495.799 5.828 50 10 JKGE Cn1cnc(Br)c1[C@H](Cl)c1c(F)cc(Br)c(F)c1Br 2337317601 QMGSKFYBWYXRLH-MRVPVSSYSA-N 479.344 5.314 50 10 JKGE Cc1c([C@H](Br)c2c(Cl)sc(Br)c2Cl)ccc(Cl)c1Cl 2339046602 SZQWSUGEQTVSJR-QMMMGPOBSA-N 483.867 7.917 50 10 JKGE Cl[C@@H]1CN(Cc2ccc(I)c(Br)c2)C2(CCCC2)C1 2349825902 CTIWUPHMXBLKLT-LBPRGKRZSA-N 454.577 5.180 50 10 JKGE ClC[C@H]1CC[C@H](CNCc2ccc(I)c(Br)c2)CC1 2349841317 IUPYJCRESCYDMU-HAQNSBGRSA-N 456.593 5.189 50 10 JKGE Cc1cc(Br)c(C)c([C@H](Br)[C@H]2O[C@H]3CC[C@H]2C3)c1Br 2352547006 BVKFXDKKJTYKTL-CHPZLBCBSA-N 453.012 5.832 50 10 JKGE CCCCCCCC[C@H](Br)c1c(Cl)cc(Br)c(F)c1Br 2362231691 YFRFHWQJBLDAJO-JTQLQIEISA-N 493.480 8.191 50 10 JKGE Cc1cc(Br)c(F)c(Br)c1[C@@H](Br)[C@@H](CC(C)C)C(C)C 2365188421 LAFOAQVUHKZCSO-FZMZJTMJSA-N 473.062 7.413 50 10 JKGE ClCC(CCl)(Cc1ccc(I)c(Br)c1)C1CCOCC1 2377268278 YWDQPZHSNKOGMB-UHFFFAOYSA-N 492.022 5.487 50 10 JKGE COc1ccc(Br)cc1[C@@H]1CC(=O)N2CN(c3c(C)cccc3C)CSC2=C1C#N 9693458 HFEJOBRGEIWPAK-KRWDZBQOSA-N 484.419 5.294 50 10 JKGE CC[C@@H]1CCc2sc(C(=O)N/N=C(\C)c3ccc(NS(=O)(=O)c4ccc(C)cc4)cc3)cc2C1 13133684 QPLFGLNHTBSFPB-RTMGKINMSA-N 495.670 5.526 50 10 JKGE 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 14612382 BCPWMPCOEAOEDD-PBZLXYFFSA-N 481.416 6.082 50 10 JKGE CCCCCCOc1ccc(C(=O)NNC(=O)Cc2cccc3ccccc23)cc1Br 14640770 IAKLSPNKQXIJAH-UHFFFAOYSA-N 483.406 5.565 50 10 JKGE COc1ccc(-c2nn(-c3ccccc3)cc2/C=C(/C#N)C(=O)c2c(C)[nH]c3ccccc23)cc1 34706178 YOEVOMWQALRXTN-PGMHBOJBSA-N 458.521 6.128 50 10 JKGE C=CCNC(=O)/C(C#N)=C\c1cn(-c2ccccc2)nc1-c1ccc(OCCCC)c(Cl)c1 35447422 GVGMQPAHQXRQBD-HKWRFOASSA-N 460.965 5.581 50 10 JKGE N#CC1=C(N)Oc2cc(OC(=O)c3sc4ccccc4c3Cl)ccc2[C@H]1c1ccccc1Cl 38687588 OUPQGLSNRXVTPQ-OAQYLSRUSA-N 493.371 6.645 50 10 JKGE CCCOc1cccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4ccc(OC)c(Cl)c4)ccc32)c1 38701038 UOMMKLCBKKCOSL-RUZDIDTESA-N 490.943 5.575 50 10 JKGE Cc1c(C(=O)Nc2ccccc2C(F)(F)F)oc2c1/C(=N/NC(=O)Cc1ccccc1)CCC2 40815731 WJUSTHLJWGUJHB-NDZAJKAJSA-N 469.463 5.258 50 10 JKGE CCOC(=O)N/N=C1\CCCc2oc(C(=O)Nc3cc(C(F)(F)F)ccc3Cl)c(C)c21 40825454 DQOVRUAEMCBPFU-LGJNPRDNSA-N 457.836 5.299 50 10 JKGE COc1ccc([C@H](C(=O)NC2CCC(C)CC2)N(CCC2=CCCCC2)C(=O)CCl)cc1OC 97914827 CPDLZNNAMNRQAZ-UYSSGXRJSA-N 491.072 5.398 50 10 JKGE CC(C)(C)c1ccc(Oc2ccc(C(C)(C)C)cc2CCBr)c(CCBr)c1 100477182 KQFJOILZNCCVOZ-UHFFFAOYSA-N 496.327 7.949 50 10 JKGE COc1cc(/C=C(/C#N)C(=O)Nc2nc3ccccc3s2)cc(Cl)c1OCc1ccc(C)cc1 102443853 GFFWCLMQFKBTOB-ODLFYWEKSA-N 489.984 6.391 50 10 JKGE N#C/C(=C\c1ccc(OC(F)(F)[C@@H](F)C(F)(F)F)cc1)C(=O)Nc1ccccc1C(F)(F)F 104570902 AFUOBIUGQLGOMS-KQPPXVQYSA-N 482.302 6.123 50 10 JKGE COc1ccc(Br)cc1COc1c(Br)cccc1CBr 110378537 JPMKTTWGGWCFOL-UHFFFAOYSA-N 464.979 5.694 50 10 JKGE O=C(N[C@@H]1CCCCC[C@@H]1Br)c1cc(Br)c(Br)s1 136177795 BVOZSSJTXOHVQZ-IONNQARKSA-N 460.029 5.099 50 10 JKGE Clc1cc(Cl)cc([C@@H](Br)c2csc3c(Br)cccc23)c1 163526324 OZIVKRLAETWDKO-CQSZACIVSA-N 451.010 7.455 50 10 JKGE CC(C)CCC[C@H](C)[C@H]1CC[C@H]2[C@@H]3CC[C@H]4C[C@@H](O[Si](C)(C)C)CC[C@]4(C)[C@H]3CC[C@@]21C 195753132 HRLPEXVPNOBUDF-VEDPMBGDSA-N 460.863 9.328 50 10 JKGE BrCC(CBr)(COCc1ccccc1)c1ccccc1Br 230091441 CIHZKXKNVOVFET-UHFFFAOYSA-N 477.034 5.694 50 10 JKGE CCOc1ccc([C@@H](Br)c2ccc(I)c(Cl)c2)cc1 232342703 FJKGSJHTFPMYGX-OAHLLOKOSA-N 451.529 5.828 50 10 JKGE CC(C)(C)c1ccc([C@@H](Br)c2ccc(F)cc2I)s1 232561598 ILEUNYMSQLPMNH-AWEZNQCLSA-N 453.158 6.274 50 10 JKGE Fc1cc(Oc2ccc(CBr)cc2Br)c(Br)cc1Cl 236167956 IZNCSYBPHJXJHP-UHFFFAOYSA-N 473.361 6.691 50 10 JKGE CSc1ccc(C=NNC(=O)CSc2nnc(SCc3ccc(C)cc3)s2)cc1 254486451 AUPYSEFSUULSJI-UHFFFAOYSA-N 460.675 5.103 50 10 JKGE ClCc1nc2c(Cl)cccc2n1-c1cc(I)ccc1Br 380244636 OCQDNDHPNJHNHM-UHFFFAOYSA-N 481.946 5.785 50 10 JKGE CC(C)C[C@@H](C)CC(CBr)(CBr)c1cccc(Br)c1 387636271 SLAPUCFDBDYCSU-CYBMUJFWSA-N 455.072 6.549 50 10 JKGE C[C@H](Cl)c1nc2c(Cl)cccc2n1CCCN(Cc1ccccc1)Cc1ccccc1 390468454 BEHOYVFYOVEQEF-FQEVSTJZSA-N 452.429 7.082 50 10 JKGE CC(C)(C)[Si](C)(C)OCCc1cccc([C@@H]2Cc3ccccc3N(Cc3ccccc3)C2)c1 616592180 IXXDDPAIWPSKLE-MUUNZHRXSA-N 457.734 7.597 50 10 JKGE CC(C)(C)OC(=O)NCCN1CCO[C@@H](c2ccccc2CCO[Si](C)(C)C(C)(C)C)C1 616645609 DWFPJYDMGVRANC-JOCHJYFZSA-N 464.723 5.149 50 10 JKGE CC(=O)O[C@H]1CC[C@@]2(C)C(=CC[C@H]3[C@@H]4CC(C=O)=C(n5cc6ccccc6n5)[C@@]4(C)CC[C@@H]32)C1 685945335 CZRJIJGHLPRZRO-UMALJDHNSA-N 458.602 5.951 50 10 JKGE Cc1cc([C@H](Br)c2cc(Br)cc3c2OCCC3)sc1Br 688377515 CLKWRAYGFBIXKL-CYBMUJFWSA-N 481.047 6.391 50 10 JKGE C[C@H](Br)c1c(I)ccc(OCc2ccccc2)c1[N+](=O)[O-] 694969499 LINGEMYDCAVGCK-JTQLQIEISA-N 462.081 5.234 50 10 JKGE CC1(C)CO[C@H](COc2c(Br)cc(CBr)cc2Br)C1 708348715 OGUHCGNUQYYXCS-JTQLQIEISA-N 457.000 5.300 50 10 JKGE Fc1cc(COc2c(F)cc(Br)cc2CBr)ccc1Br 715737063 KEYBXJHHCLRICE-UHFFFAOYSA-N 470.933 5.964 50 10 JKGE C[C@@H](Cl)c1nc2cc(I)ccc2n1C[C@H]1CCN1Cc1ccccc1 716235903 DXRMYDAZEAFIIA-RHSMWYFYSA-N 465.766 5.215 50 10 JKGE COc1ccc([C@@H](Br)c2ccc(I)c(Br)c2)cc1C 721600337 ACVIVLHUUNQULD-OAHLLOKOSA-N 495.980 5.855 50 10 JKGE Cc1cccc(NC(=O)NN=Cc2cc(Br)c(Sc3ccc(Cl)cc3)o2)c1 1084084736 ROVPTSZIGRWRCR-UHFFFAOYSA-N 464.772 6.311 50 10 JKGE N#CSc1ccc(NC(=O)Oc2ccc(CNC(=O)c3ccccc3Br)cc2)cc1 1858896350 UWHMTBSTZKQMFZ-UHFFFAOYSA-N 482.359 5.563 50 10 JKGE CCCc1nn(-c2cccc3ccccc23)c2c1[C@@H](c1cccc(Br)c1)C(C#N)=C(N)O2 1865683265 BSODXQXFZLUDCI-QHCPKHFHSA-N 485.385 5.959 50 10 JKGE COc1ccc2ccccc2c1[C@@H]1C(C#N)=C(N)Oc2c1c(C)nn2-c1ccc(Cl)c(Cl)c1 1865688356 QFEBTRVCJLOEKE-HSZRJFAPSA-N 477.351 5.868 50 10 JKGE CCCCOc1ccc([C@H]2C(C#N)=C(N)Oc3c2c(C)nn3-c2ccc(Cl)cc2)cc1OC 1865697165 OKNJVKFXEOHXKR-QHCPKHFHSA-N 464.953 5.240 50 10 JKGE CCn1nc(C(F)(F)F)c2c1OC(N)=C(C#N)[C@@H]2c1ccc(OCCCc2ccccc2)c(OC)c1 1865697522 VRGXAKPPGWWUFI-NRFANRHFSA-N 498.505 5.160 50 10 JKGE COc1ccc(-c2nn(Cc3cccc(Cl)c3)c3c2[C@@H](c2ccco2)C(C#N)=C(N)O3)cc1 1865698433 TWKJPKFVLVNFJJ-OAQYLSRUSA-N 458.905 5.072 50 10 JKGE CCc1nn(Cc2ccc(Cl)cc2)c2c1[C@H](c1ccc(C(F)(F)F)cc1)C(C#N)=C(N)O2 1865711487 ZQKCGUIJFIECJK-LJQANCHMSA-N 458.871 5.384 50 10 JKGE CCCC[C@@H](NC(=O)c1ccc2oc(-c3ccc(C)cc3)nc2c1)C(=O)Nc1ccc(SC#N)cc1 1866880552 KKUNMVLYCBHVGS-HSZRJFAPSA-N 498.608 6.304 50 10 JKGE CCCCc1ccc(N2C[C@@H](/C(O)=C(\C#N)c3nc(-c4cc(C)ccc4C)cs3)CC2=O)cc1 1872750031 UFIBGPXRSBVHAI-AQTDBHCXSA-N 471.626 6.615 50 10 JKGE CCCCOc1ccc(/C(O)=C(\C#N)c2nc(-c3ccc(F)c(F)c3)cs2)cc1OCC 1872751492 KNTYXTMJRRYNIB-QJOMJCCJSA-N 456.514 6.616 50 10 JKGE CC(C)c1ccc(-c2csc(/C(C#N)=C(\O)CCCOc3ccc(Cl)cc3Cl)n2)cc1 1872752049 KRZUDQMQWVIFCT-QOCHGBHMSA-N 473.425 7.892 50 10 JKGE CCOc1ccc(CC/C(O)=C(\C#N)c2nc(-c3ccc(OC)cc3OC)cs2)cc1OC 1872755655 YQQOKYIMXYGQQJ-VZCXRCSSSA-N 466.559 5.660 50 10 JKGE Cc1ccc(C(C)(C)C)cc1-c1csc(/C(C#N)=C(\O)Cc2ccc(Br)cc2)n1 1872755799 GSIMWRJURGFRPL-XDOYNYLZSA-N 467.432 7.214 50 10 JKGE COc1c(Cl)cc(-c2csc(/C(C#N)=C(\O)CNC(=O)c3ccccc3)n2)cc1Cl 1872755861 JYDYAQUWHDCEPP-JXAWBTAJSA-N 460.342 5.348 50 10 JKGE CCCCCOc1ccc(/C=C(\C#N)c2nc(-c3ccc(Br)cc3)cs2)cc1OC 1872780502 BBQRFQCGOVOUJG-CPNJWEJPSA-N 483.431 7.214 50 10 JKGE CCOc1cc(/C=C(\C#N)c2nc(-c3ccc(OC)cc3)cs2)ccc1OCc1ccc(C)cc1 1872781155 WUWLEVWHTMBBOU-BUVRLJJBSA-N 482.605 7.169 50 10 JKGE COc1cc(/C=C(\C#N)c2nc(-c3ccc(Cl)cc3)cs2)ccc1OCCN1CCOCC1 1872790177 PMGOGJGQBUDPEH-XSFVSMFZSA-N 482.005 5.247 50 10 JKGE CCOc1cc(/C=C(\C#N)c2nc(-c3cc(C)cc(C)c3OC)cs2)ccc1OCc1ccccc1 1872792600 HQEQUWCENLGRRL-BUVRLJJBSA-N 496.632 7.477 50 10 JKGE COc1ccc(C)cc1-c1csc(/C(C#N)=C(\O)[C@H]2CC(=O)N(c3cc(Cl)ccc3OC)C2)n1 1873920334 DGRSURVCPPEJQH-BHQWEUPHSA-N 495.988 5.635 50 10 JKGE N#C/C(=C(/O)CCN1C(=O)c2ccccc2C1=O)c1nc(-c2ccc3ccccc3c2)cs1 1873940849 KGWJGBWUZDIAND-LNVKXUELSA-N 451.507 5.442 50 10 JKGE Brc1cc([C@H](Br)[C@H]2C[C@@H](Br)C2)sc1Br 1893106077 CTMQPYLDWWHBTR-GLDDHUGJSA-N 467.846 5.883 50 10 JKGE COc1cccc([C@H](Br)c2sc(Br)cc2Br)c1C 1922886402 KKCGHOPDQLABMB-LBPRGKRZSA-N 455.009 6.074 50 10 JKGE COc1ccc([C@@H](Br)c2sc(Br)c(C)c2Br)cc1 1922946523 RYZKTIXGVCAFSW-LLVKDONJSA-N 455.009 6.074 50 10 JKGE CC(F)(F)CC[C@@H](Br)c1c(Br)sc(Br)c1Cl 1923060214 AZRFVAPJCHGKPM-SCSAIBSYSA-N 461.391 6.798 50 10 JKGE FC(F)(CC1CC1)[C@@H](Br)c1c(Br)sc(Br)c1Cl 1923073600 YINBLBYOIXOCNU-ZETCQYMHSA-N 473.402 6.798 50 10 JKGE CCc1ccccc1[C@H](Cl)c1c(Br)sc(Br)c1Br 1924585079 HBVBNZFAZPSXAR-NSHDSACASA-N 473.455 6.926 50 10 JKGE COc1ccc([C@H](Cl)c2c(Br)sc(Br)c2Br)c(F)c1 1924596534 PWEFZAJFFBPVRV-JTQLQIEISA-N 493.417 6.512 50 10 JKGE Cl[C@H](c1c(Br)sc(Br)c1Br)[C@H]1CCCC12CC2 1924614135 WQYVFUUFPWYARM-MUWHJKNJSA-N 463.460 6.896 50 10 JKGE Cc1cc([C@H](Br)c2nn(C)c(Cl)c2Br)sc1Br 2001991115 FRPPCQOIKFZUDW-LURJTMIESA-N 463.420 5.453 50 10 JKGE Cc1c(Cl)cc(CN(Cc2ccccc2)[C@@H](CBr)C2CC2)cc1Br 2002242379 NFKZBWASTXBIEX-FQEVSTJZSA-N 471.664 6.587 50 10 JKGE CCc1sc(Br)cc1[C@@H](Cl)c1ccc(F)cc1I 2030224623 ZAJMOLFNIODQSI-ZDUSSCGKSA-N 459.549 6.145 50 10 JKGE BrCC(CBr)(Cc1ccsn1)c1ccc(Br)cc1 2035785263 LMGYGDVCVXRDRH-UHFFFAOYSA-N 454.025 5.176 50 10 JKGE CN(c1ccc(Br)cc1CBr)[C@H]1CC(C)(C)[C@H]1OCc1ccccc1 2038794281 JVLOOVUQAVCABE-PMACEKPBSA-N 467.245 6.164 50 10 JKGE C[C@@H]1OC2(C)CC1([C@@H](Br)c1c(Br)sc(Br)c1Cl)C2 2038997100 QJLGYZIPPCPKKI-ZISPUGJISA-N 479.459 6.320 50 10 JKGE C[C@@H]1CCC[C@@H]([C@@H](Cl)c2c(Br)sc(Br)c2Br)CC1 2039360507 TUAZRHZWZLFJOX-SOCHQFKDSA-N 479.503 7.532 50 10 JKGE Cc1nn(-c2cccc(Cl)c2)c(Cl)c1C=C(C#N)S(=O)(=O)c1ccc(Cl)cc1 2040461227 FSCOTDOCXAHNEI-UHFFFAOYSA-N 452.750 5.479 50 10 JKGE Cc1c(Br)sc([C@H](Br)[C@H]2C[C@]2(C)C(F)(F)F)c1Br 2043570096 MMGXZSQQMHKOIN-LIGPWKHUSA-N 470.974 6.606 50 10 JKGE N#CC(=CC(Br)=Cc1ccccc1)c1nc(-c2ccc(Br)cc2)cs1 2053509049 MVEOJJPYPPBNEA-UHFFFAOYSA-N 472.205 6.916 50 10 JKGE Clc1ccc(C[C@H](Br)c2ccccc2Br)c(Br)c1 2077801128 GXQNUVVNQLXOIV-AWEZNQCLSA-N 453.399 6.544 50 10 JKGE Cc1cc(C)cc([C@@H](N[S@@](=O)C(C)(C)C)c2ccccc2P(c2ccccc2)c2ccccc2)c1 2080759980 HAEIDYNXHXDQJH-BIMVPBQRSA-N 499.660 6.203 50 10 JKGE Cc1sc(Br)c([C@H](Br)Cc2ccccc2Br)c1C 2082871793 UNXYQRVSKCSVCW-GFCCVEGCSA-N 453.037 6.569 50 10 JKGE Cc1ccc(Br)cc1[C@@H](Br)c1c(Br)sc(C)c1C 2082884892 NVUGDWBVWLVDAT-CYBMUJFWSA-N 453.037 6.683 50 10 JKGE Fc1cnccc1C[C@H](Br)c1ccc(Br)cc1I 2086148992 ITVRFOTUDVBOKD-NSHDSACASA-N 484.932 5.267 50 10 JKGE C[C@H]1Cc2cc([C@H](Br)c3ncsc3Br)cc(Br)c2O1 2090458298 OBBHKZUCADVYJG-WKEGUHRASA-N 468.008 5.476 50 10 JKGE Brc1ccc(CN2C[C@H]3C[C@H](Br)CC[C@H]3C2)c(Br)c1 2092266735 MXINEGRTENSAKG-CYZMBNFOSA-N 452.028 5.207 50 10 JKGE Cc1cc(Cl)c([C@H](Br)c2c(Br)cccc2Br)cc1C 2094090588 IVCMMNACQCJALA-HNNXBMFYSA-N 467.426 6.966 50 10 JKGE Cn1nc(COc2ccc(Br)c(CBr)c2)c(Br)c1Cl 2096688374 KRAJHIDMYSHBDN-UHFFFAOYSA-N 473.390 5.072 50 10 JKGE Clc1ccc(I)c(CN2[C@H](CBr)C[C@@H]3CCC[C@@H]32)c1 2108400426 WPMBTRUYIQMNMB-XEGUGMAKSA-N 454.577 5.083 50 10 JKGE Cn1nc([C@@H](Br)c2cc(C3CC3)c(Br)s2)c(Br)c1Cl 2110721468 SVDJKIYMKRWHJD-QMMMGPOBSA-N 489.458 6.022 50 10 JKGE CN(C(=O)c1cc(Br)sc1Br)C1(CBr)CCSCC1 2114715257 ACYSIQFZSCNLKI-UHFFFAOYSA-N 492.096 5.006 50 10 JKGE Fc1cc(Cl)c([C@H](Br)c2ccc(I)c(Cl)c2)cc1Cl 2139427399 XHTWYDCUZFFPPZ-CYBMUJFWSA-N 494.356 6.875 50 10 JKGE Fc1cccc(Cl)c1C[C@H](Cl)c1ccc(Br)cc1I 2142278773 HSHOKIIAYVPAEN-LBPRGKRZSA-N 473.938 6.369 50 10 JKGE C[C@H](Cl)c1nc2cc(F)c(Br)cc2n1C1CC(COCc2ccccc2)C1 2149051572 PWHVKPLYLPLYEB-JEYLPNPQSA-N 451.767 6.406 50 10 JKGE CC1(C)[C@H]2CC[C@@H](C2)[C@]1(CBr)Cc1c(Br)cccc1Br 2150496369 VCTDNTHXUHCTKV-NVGCLXPQSA-N 465.067 6.592 50 10 JKGE CCn1ncc(Br)c1C[C@H](CBr)Cc1cccc(Br)c1 2150690523 DBIIGKPXSYEKAU-GFCCVEGCSA-N 465.027 5.224 50 10 JKGE CCOc1ccc([C@H](Br)c2c(Cl)cccc2Br)cc1Br 2169465218 SUJZCXDXSGRFTG-HNNXBMFYSA-N 483.425 6.748 50 10 JKGE BrCC1(Cc2cccc(Br)c2Br)CC2(C1)CC21CCC1 2183919971 JJFAAJUVKDPAHV-UHFFFAOYSA-N 463.051 6.490 50 10 JKGE Cc1cc(C)cc([C@H](Br)c2c(C)c(Br)cc(C)c2Br)c1 2201070864 CWEFVXXLURMMGW-KRWDZBQOSA-N 461.035 6.930 50 10 JKGE Fc1cc(Br)c(Br)cc1[C@@H](Cl)c1cscc1OCc1ccccc1 2213488487 FPBWBRALENHFMQ-GOSISDBHSA-N 490.619 7.319 50 10 JKGE Cc1ccc([C@@H](Br)c2c(Cl)sc(Cl)c2Cl)cc1I 2217864937 RMJZMXBONMOZIA-SECBINFHSA-N 496.422 7.106 50 10 JKGE Fc1cc(Br)c(Br)cc1[C@H](Br)C[C@@H]1C[C@H]1C(F)(F)F 2225616425 FWSYQLCZLOQLTK-UIISKDMLSA-N 468.908 6.375 50 10 JKGE C[C@H]1O[C@@]2([C@H](Br)c3cc(Br)c(Br)cc3F)CC[C@H]1C2 2225619577 KOPAMFAUXHQHJU-STWVUXQISA-N 456.975 5.744 50 10 JKGE Cc1ccc([C@@H](Cl)c2cc(Br)c(Br)cc2F)c(Br)c1 2225633425 JSFKNADKPIYNTL-CQSZACIVSA-N 471.389 6.750 50 10 JKGE Cc1cc(Br)c([C@H](Br)C[C@H]2C[C@H]3C[C@H]3C2)c(C)c1Br 2227350659 XXJBLUYVVACLGI-NRWUCQMLSA-N 451.040 6.701 50 10 JKGE Cc1cc(Br)c([C@H](Br)[C@H]2CC23CCCC3)c(C)c1Br 2227373470 ZYRPNZJYBUBZJM-IAQYHMDHSA-N 451.040 6.845 50 10 JKGE Cc1cc(Cl)c(Br)cc1[C@@H](Cl)Cc1ccc(Br)cc1Cl 2237459254 YNBXPKWRINHKOT-AWEZNQCLSA-N 457.420 7.349 50 10 JKGE CC(C)(C)OC(=O)N1CC(N(CCCCCCCBr)OCc2ccccc2)C1 2242377510 HESKZNBIBYKQCM-UHFFFAOYSA-N 455.437 5.385 50 10 JKGE C[C@@]1([C@@H](Br)c2c(F)cc(Br)c(F)c2Br)CC1(F)F 2260014211 OPYGLMIBTHAFNA-UWVGGRQHSA-N 454.881 5.971 50 10 JKGE Cc1cc([C@@H](Cl)Cc2cc(Br)cc(Br)c2)oc1Br 2263515529 PNXXVPDCIRRHQL-NSHDSACASA-N 457.387 6.398 50 10 JKGE Cc1sc([C@@H](Br)c2cc(F)c(Br)cc2Cl)c(C)c1Br 2267749781 OLYXUNHZJXAISQ-LBPRGKRZSA-N 491.445 7.167 50 10 JKGE Cn1nc([C@@H](Br)Cc2cc(Br)cc(Br)c2)c(Cl)c1Cl 2277952811 JXTHHZMYPOAURY-VIFPVBQESA-N 491.836 5.931 50 10 JKGE FC(F)(F)[C@@H]1CC[C@@H]1[C@@H](Br)Cc1cc(Br)cc(Br)c1 2277957901 YGIAWTBJTBASGD-TUAOUCFPSA-N 464.945 6.106 50 10 JKGE COc1ccc([C@@H](Cl)c2scc(Br)c2Cl)c(OC)c1Br 2279283484 NDWUHPCYEGZIFJ-SNVBAGLBSA-N 461.002 6.272 50 10 JKGE COc1ccc([C@@H](Br)Cc2cc(Cl)cc(Cl)c2)cc1I 2284999836 XMFVQXHOCPEKNI-ZDUSSCGKSA-N 485.974 6.285 50 10 JKGE Cc1ccccc1C[C@@H]1SC(=C(C#N)C(=O)Nc2ccccc2)N(c2ccc(F)cc2)C1=O 2293038884 DQIJHBIGHDDAGB-QHCPKHFHSA-N 457.530 5.199 50 10 JKGE CCCCOc1ccc(C=C(C#N)C(=O)Oc2ccc(C(=O)OCc3ccccc3)cc2)cc1 2293198105 MQHHDYGQEQSTFH-UHFFFAOYSA-N 455.510 5.735 50 10 JKGE CCOc1cc(C=C(C#N)C(=O)Nc2cccc(C)c2)ccc1OCc1ccc(C(=O)O)cc1 2294172044 WWXJADOSLKFBBV-UHFFFAOYSA-N 456.498 5.217 50 10 JKGE N#CC1=C(N)OC2=C(CCCC2=Cc2cccc(Cl)c2Cl)[C@H]1c1cccc(Cl)c1Cl 2294839482 MQUVHUDLROVACQ-LJQANCHMSA-N 478.206 7.629 50 10 JKGE CCOc1cc(C=C(C#N)C(=O)Nc2ccc(F)cc2)ccc1OC(=O)c1cccc2ccccc12 2295459590 BPZDISJKKRNKQX-UHFFFAOYSA-N 480.495 6.142 50 10 JKGE N#CC(C(=O)N1CCCCCC1)=C1S[C@@H](Cc2ccccc2Cl)C(=O)N1c1ccccc1 2296507191 XUAYCJACQMRCOM-QFIPXVFZSA-N 466.006 5.169 50 10 JKGE CCOc1ccccc1C=C(C#N)c1nc(-c2cc3cc(Br)ccc3oc2=O)cs1 2297213717 JLNLVRQDFUBYAC-UHFFFAOYSA-N 479.355 6.142 50 10 JKGE Cc1ccccc1NC(SCc1ccc(Cl)cc1)=C(C#N)C(=O)NCc1cccs1 2297414577 NHIPRXDYPTUYMC-UHFFFAOYSA-N 454.020 6.107 50 10 JKGE N#CC(C(=O)Nc1ccc(F)cc1)=C1S[C@H](Cc2ccc(F)cc2)C(=O)N1c1ccc(Cl)cc1 2297467751 BPTPCFPVSLOOFK-JOCHJYFZSA-N 495.938 5.683 50 10 JKGE COc1cc(C=C(C#N)c2ccc([N+](=O)[O-])cc2)cc(Br)c1OCc1ccc(F)cc1 2313540964 GPICXFSRYXMOLG-UHFFFAOYSA-N 483.293 6.148 50 10 JKGE CC(C)(C)c1ccc(C(=O)Nc2ccc(C(=O)NNC(=O)C=Cc3cccc4ccccc34)cc2)cc1 2313613987 WHUVLCXRPZCODZ-UHFFFAOYSA-N 491.591 5.864 50 10 JKGE COc1cccc(C=C(C#N)C(=O)Nc2ccccc2)c1OCc1ccc(Br)cc1 2313630809 UWGKHKMFASJCGS-UHFFFAOYSA-N 463.331 5.582 50 10 JKGE CCCOc1ccc(-c2nn(-c3ccccc3)cc2C=C(C#N)c2nc(O)c3ccccc3n2)c(C)c1 2314433351 MNOSAXFCFIIOAY-UHFFFAOYSA-N 487.563 6.350 50 10 JKGE CC1(C)OCCO[C@H]1[C@@H](Br)c1cc(Br)ccc1OCc1ccccc1 2314441339 XXTDRYHKARDCAG-OALUTQOASA-N 470.201 5.658 50 10 JKGE Brc1ccc(OCc2ccccc2)c([C@H](Br)C23CCC(CC2)OC3)c1 2314443843 ISEUEZUVPFXKEX-SGDIKTSBSA-N 466.213 6.423 50 10 JKGE Brc1cc(OCc2ccccc2)ccc1[C@H](Br)CC1CC2(CCC2)C1 2314458340 DMFCMMHIQIFRBH-HXUWFJFHSA-N 464.241 7.435 50 10 JKGE Cc1cc(F)ccc1[C@@H](Br)c1ccc(OCc2ccccc2)cc1Br 2314501517 YOOOYYYAXVFUST-OAQYLSRUSA-N 464.172 6.960 50 10 JKGE BrCc1c(Br)cccc1Oc1cc(Br)cc(Br)c1 2316759245 XDBIXSJAQPXELV-UHFFFAOYSA-N 499.822 6.661 50 10 JKGE Clc1ccc([C@@H](Cl)Cc2ncccc2Br)c(I)c1 2317742693 DOJZDTBGQLKFTD-NSHDSACASA-N 456.936 5.625 50 10 JKGE CC(=Cc1ccccc1Cl)C(=O)N[C@@H](Cc1ccc(F)cc1)C(=O)Nc1ccc(SC#N)cc1 2330467363 ZHJSXVVZCJNPCB-DEOSSOPVSA-N 493.991 5.822 50 10 JKGE COc1cc(C=C(C#N)C(=O)C(C)(C)C)ccc1OCc1c(Cl)ccc(Cl)c1Cl 2331054828 FMCCLGKQGWNWLF-UHFFFAOYSA-N 452.765 6.757 50 10 JKGE CC(C)N1C(=O)c2ccc(C(O)=C(C#N)c3nc(-c4ccc5c(c4)CCCC5)cs3)cc2C1=O 2331240003 FHSDTRCSXYEKHL-UHFFFAOYSA-N 469.566 5.643 50 10 JKGE COc1ccc(-c2csc(C(C#N)=C(O)CNC(=O)c3ccc(Cl)cc3Cl)n2)cc1 2331273867 ZFQBPDMDVOGUSI-UHFFFAOYSA-N 460.342 5.348 50 10 JKGE N#CC(=C(O)[C@@H]1CC(=O)N(Cc2ccccc2)C1)c1nc(-c2cc(Cl)ccc2Cl)cs1 2331404688 XCMVTQKYIXLMOX-OAHLLOKOSA-N 470.381 5.958 50 10 JKGE CCOc1c(Br)cc(C=C(C#N)c2nc(-c3ccc(F)cc3F)cs2)cc1OC 2331436101 IJIMOKLMZWFXII-UHFFFAOYSA-N 477.330 6.322 50 10 JKGE CCCOc1c(Br)cc(C=C(C#N)c2nc(-c3ccc(Cl)cc3)cs2)cc1OC 2331440266 WIBUAFCBWSDZFM-UHFFFAOYSA-N 489.822 7.088 50 10 JKGE CCOc1cc(C=C(C#N)c2nc(-c3ccc(Cl)s3)cs2)ccc1OCc1ccc(C)cc1 2331484944 DGUWZJSFXLTKNW-UHFFFAOYSA-N 493.053 7.875 50 10 JKGE CCCC[C@H](CC)[C@@H](Br)c1c(Cl)cc(Br)c(F)c1Br 2337092988 ZBIISPFLHDOTLU-QPUJVOFHSA-N 479.453 7.657 50 10 JKGE COc1c(Br)cc(C)c([C@@H](Cl)c2cc(Br)sn2)c1Br 2339649287 UHQDSHHZMHOIRQ-NSHDSACASA-N 490.442 6.076 50 10 JKGE Fc1cncc(OCc2c(Br)cccc2Br)c1CBr 2340648563 XYKMSTBXYJMPEQ-UHFFFAOYSA-N 453.931 5.220 50 10 JKGE C[C@H]1[C@H](Cl)C[C@H]2CC[C@H]1N2Cc1ccc(I)c(Br)c1 2349825359 CTEARMACMPRCKC-AGNJHWRGSA-N 454.577 5.034 50 10 JKGE Brc1cc(OCc2ccccc2)ccc1[C@H](Br)c1ccc2c(c1)COCC2 2361188900 HSPJYUJJFABYHL-HSZRJFAPSA-N 488.219 6.585 50 10 JKGE Fc1c(Br)cc(Cl)c([C@H](Br)CCC2CCCCC2)c1Br 2362228077 ATBSURYETOYHGM-SNVBAGLBSA-N 491.464 7.801 50 10 JKGE Fc1c(Br)cc(Cl)c([C@H](Br)[C@@H]2C[C@]23CCCOC3)c1Br 2362249332 XHSAOGQUBKOGDG-OXSLBIJZSA-N 491.420 6.257 50 10 JKGE ClCc1cc(Cl)c(OCc2ccc(Cl)cc2I)c(Cl)c1 2366729286 KBVGMDLGJRKKOW-UHFFFAOYSA-N 461.941 6.569 50 10 JKGE ClCc1ccc2c(c1)CN(Cc1ccc(I)c(Br)c1)C2 2377323988 KJTCOPHAHVHIPP-UHFFFAOYSA-N 462.556 5.308 50 10 JKGE 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 1612226 BCPWMPCOEAOEDD-CBHFKPBVSA-N 481.416 6.082 50 10 JKGE COc1ccc2nc(N(/N=C/c3ccco3)C(=O)c3ccc(Br)s3)sc2c1 9629115 NNKYXDRARSJPSH-KEBDBYFISA-N 462.350 5.403 50 10 JKGE COc1cc(/C=C(/C#N)c2nc3ccc(C)cc3[nH]2)ccc1Oc1ccc(C(F)(F)F)cc1[N+](=O)[O-] 33400061 NPPYWCZKZBTHLI-YBEGLDIGSA-N 494.429 6.663 50 10 JKGE N#C/C(=C/c1ccc(-c2ccc([N+](=O)[O-])cc2)o1)C(=O)Nc1ncc(Cc2ccccc2Cl)s1 34836449 HBQZQRXZBNZNBG-BOPFTXTBSA-N 490.928 6.101 50 10 JKGE CC(C)c1ccc(OCC(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@H]3c2ccc(F)cc2)cc1 38653101 HIAGKMCMLWVKDH-SANMLTNESA-N 458.489 5.152 50 10 JKGE CCOc1ccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)[C@@H](C)Oc4ccc(CC)cc4)ccc32)cc1 38685928 LFNHPKNAULDJNJ-CLYVBNDRSA-N 484.552 5.239 50 10 JKGE CCCCc1ccc(NC(=O)c2oc3c(c2C)/C(=N/NC(=O)c2ccc(Cl)cc2)CCC3)cc1 40811613 ONPRIJQUNJBRAU-JBASAIQMSA-N 477.992 6.307 50 10 JKGE Cc1cc(OC(=O)c2oc3c(c2C)/C(=N/NC(=O)c2cccc(Cl)c2)CCC3)ccc1Cl 40813384 CBXUAIGVSLGFJB-ZXVVBBHZSA-N 471.340 5.893 50 10 JKGE CCCCCCOc1ccc(/C=C(\C#N)C(=O)Nc2nc3c(C)cc(C)cc3s2)cc1OC 41013053 APYVBLHTTMHMQU-XSFVSMFZSA-N 463.603 6.427 50 10 JKGE O=C(N/N=C/c1ccc(Cl)cc1Cl)c1ccc(OCc2ccc(Cl)cc2Cl)cc1 48573614 DOALLHVPUSWGGN-KBKYJPHKSA-N 468.167 6.643 50 10 JKGE CCOc1ccc([C@@H](O)CCC(=O)N/N=C\c2ccc(OCc3ccccc3)c(OCC)c2)cc1 58893010 YJXXBPOMBLIOHA-YYTHZRLUSA-N 476.573 5.027 50 10 JKGE COc1cc(/C=C(\C#N)C(=O)Nc2ccc(Cl)c(Cl)c2)cc(Br)c1OC 59117531 BQBUIZNBDSARHQ-VZUCSPMQSA-N 456.123 5.319 50 10 JKGE C=CCOc1c(Br)cc(/C=C(\C#N)C(=O)Nc2ccc(Cl)cc2)cc1OCC 59484003 ILXPTJFJVMPFEP-XNTDXEJSSA-N 461.743 5.612 50 10 JKGE N#C/C(=C/c1ccc(OCc2ccc([N+](=O)[O-])cc2)cc1)C(=O)Nc1nc2ccccc2s1 102444005 VWXRKGCUSDIWAZ-AQTBWJFISA-N 456.483 5.329 50 10 JKGE Fc1ccc(C[C@@H](Br)c2cc(Br)sc2Br)c(F)c1 123127869 CQWVKVMXLDMCOT-SECBINFHSA-N 460.963 6.230 50 10 JKGE COc1cccc(OC)c1[C@H](Br)c1cc(Br)c(C)cc1Br 128835409 FFCCRFCDFGJBHO-MRXNPFEDSA-N 479.006 6.022 50 10 JKGE COc1cc(Cl)c([C@H](Br)c2ccc(OC)c(Br)c2)cc1Cl 164544954 RTHSDIMYRQUWAV-OAHLLOKOSA-N 454.973 6.257 50 10 JKGE CC1=C(C#N)C(=O)N(CC(C)C)C(=O)/C1=C\c1cn(-c2ccccc2)nc1-c1ccc(C)cc1 214270899 JAOSDNOPZVTIKQ-OYKKKHCWSA-N 450.542 5.096 50 10 JKGE CCCCCOc1ccc(/C=C2\C(=O)N(CCc3ccccc3)C(=O)C(C#N)=C2C)cc1OC 214350004 UTLWDDSBHBAQOC-QJOMJCCJSA-N 458.558 5.099 50 10 JKGE Cc1cc(I)ccc1N/C=C(/C#N)C(=O)Nc1c(C)cccc1C(C)C 217034161 BSFHUFGFJKUAPQ-VBKFSLOCSA-N 459.331 5.490 50 10 JKGE COc1ccc([C@H](Br)c2cccc(Br)c2Cl)c(OC)c1Br 224854551 ZYZDAJCJRBVARK-GFCCVEGCSA-N 499.424 6.367 50 10 JKGE CCCOc1ccc([C@@H](Br)c2cc(Br)ccc2F)cc1Br 229007667 JOSJJKOKMOXLSI-MRXNPFEDSA-N 480.997 6.624 50 10 JKGE Cl[C@@H](c1ccc2c(c1)CCCC2)c1cc(I)ccc1Br 236038556 RWUWZNBULHLLFX-KRWDZBQOSA-N 461.568 6.261 50 10 JKGE Clc1ccc(C[C@H](Br)c2cc(Br)cc(Br)c2)cc1 236047192 UATVNRQTNAYSHL-AWEZNQCLSA-N 453.399 6.544 50 10 JKGE C[C@H]1C[C@@H](n2c(CCl)nc3cc(F)c(Br)cc32)CCN1Cc1ccccc1 379605927 JFSYYPQGLFAUAP-HOCLYGCPSA-N 450.783 5.902 50 10 JKGE Clc1ccc(I)c([C@@H]2CN(Cc3ccccc3)C[C@H]2CBr)c1 382708400 GDBIYOIXEJAGMR-RHSMWYFYSA-N 490.610 5.555 50 10 JKGE FC(F)(Cl)CCC(CBr)(CBr)c1cccc(Br)c1 403042992 XRZJCFWUVOBLDP-UHFFFAOYSA-N 469.389 6.089 50 10 JKGE CC(C)c1nnc(CO[Si](C)(C)C(C)(C)C)n1C1C[C@@H]2CC[C@H](C1)N2CC[C@@H](N)c1ccccc1 504073342 VWTBEKFRQZYVLR-DVMHTGGUSA-N 497.804 6.181 50 10 JKGE CC(C)(C)[Si](C)(C)OCc1cccc([C@@H]2Cc3ccccc3N(S(=O)(=O)c3ccccc3)C2)c1 616671126 YPNYHYNOWHTCIP-RUZDIDTESA-N 493.745 6.744 50 10 JKGE CN(C(=O)OC(C)(C)C)c1ccc([C@H]2c3ccccc3CCN2CCO[Si](C)(C)C(C)(C)C)cc1 616679345 UJXFTMDAHZCFMY-SANMLTNESA-N 496.768 7.027 50 10 JKGE CN(C(=O)c1cc(Br)cc(Br)c1)[C@H](CBr)C(C)(C)C 689262189 VAHOXOJATILUMI-GFCCVEGCSA-N 456.016 5.093 50 10 JKGE O=C(NCC1(CBr)CCCCC1)c1scc(Br)c1Br 705417251 DWNIPBCIOUJBQQ-UHFFFAOYSA-N 474.056 5.348 50 10 JKGE Fc1cc(Br)cc(CBr)c1OCc1cccc(Cl)c1Br 715722875 UFBBACFRNIMKCN-UHFFFAOYSA-N 487.388 6.478 50 10 JKGE Cc1ccc([C@H](Br)c2ccc(Br)cc2F)c(C)c1Br 719540065 UJEOEGBGSULISU-HNNXBMFYSA-N 450.971 6.452 50 10 JKGE CC(=NNC(=O)c1ccc(CSCc2ccccc2)cc1)c1cccc(Br)c1 1083915933 MQGRCVYIBSNKQF-UHFFFAOYSA-N 453.405 6.037 50 10 JKGE N#C/C(=C/c1ccc(-c2ccc(C34CC5CC(CC(C5)C3)C4)cc2[N+](=O)[O-])o1)c1ccc([N+](=O)[O-])cc1 1084154674 FVPKOPZCVVBCIG-UUYOSTAYSA-N 495.535 7.295 50 10 JKGE CC(C)c1ccc(OCC(=O)NN=Cc2ccc(-c3ccccc3)cc2)c(Br)c1 1084283262 NWAQPRIOJZWVKO-UHFFFAOYSA-N 451.364 5.769 50 10 JKGE O=C(NN=Cc1ccc(OCc2ccccc2)cc1)c1ccc(NC(=O)C2CCCCC2)cc1 1084294927 SNBYUKRJJXFOTJ-UHFFFAOYSA-N 455.558 5.548 50 10 JKGE Cc1ccccc1SCC(=O)NN=C1C(=O)N(C(c2ccccc2)c2ccccc2)c2ccccc21 1084493517 JIXLINRIEVZSDL-UHFFFAOYSA-N 491.616 5.744 50 10 JKGE Cc1ccc(OC(=O)c2oc3c(c2C)C(=NNC(=O)c2ccc(Cl)cc2Cl)CCC3)cc1 1772746682 YNNSPRHEBJRSIL-UHFFFAOYSA-N 471.340 5.893 50 10 JKGE COc1cc(C=NNC(=O)COc2ccc(C)cc2Br)ccc1OCc1ccccc1C 1772753690 CBOCGPOKCSLQPV-UHFFFAOYSA-N 497.389 5.183 50 10 JKGE Cc1ccc(C)c(Cn2nc(-c3ccccc3)c3c2OC(N)=C(C#N)[C@H]3c2ccc(N(C)C)cc2)c1 1865684368 XOHUJCNFWQBHDM-AREMUKBSSA-N 475.596 5.499 50 10 JKGE CCCc1nn(-c2ccccc2Cl)c2c1[C@H](c1cccc(Br)c1)C(C#N)=C(N)O2 1865684629 UHJOHARDAGVLDO-LJQANCHMSA-N 469.770 5.459 50 10 JKGE CCCc1nn(-c2ccc(Cl)c(Cl)c2)c2c1[C@@H](c1ccccc1Cl)C(C#N)=C(N)O2 1865686560 XPQMXIWQTNTOSD-IBGZPJMESA-N 459.764 6.003 50 10 JKGE CCc1nn(-c2ccc(C)cc2)c2c1[C@H](c1ccc(OCc3ccccc3)cc1)C(C#N)=C(N)O2 1865689944 HGIJGBBKNNAJIH-AREMUKBSSA-N 462.553 5.540 50 10 JKGE C=CCOc1ccccc1[C@@H]1C(C#N)=C(N)Oc2c1c(CCC)nn2-c1ccc(Cl)c(Cl)c1 1865691530 UXKOTYIRGZJNPJ-JOCHJYFZSA-N 481.383 5.915 50 10 JKGE CCCCOc1ccc([C@H]2C(C#N)=C(N)Oc3c2c(CC)nn3-c2ccccc2Cl)cc1OC 1865697643 YNSZRASMMHFKFX-QHCPKHFHSA-N 478.980 5.494 50 10 JKGE COc1ccc(-c2nn(Cc3ccc(Cl)cc3)c3c2[C@H](c2ccco2)C(C#N)=C(N)O3)cc1 1865698446 UDFKRTHXGWZRPA-NRFANRHFSA-N 458.905 5.072 50 10 JKGE Cc1ccsc1[C@@H]1C(C#N)=C(N)Oc2c1c(-c1ccccc1)nn2-c1ccc(Cl)c(Cl)c1 1865699317 QKBGKWVIPDWUSX-LJQANCHMSA-N 479.392 6.434 50 10 JKGE COc1cccc([C@@H]2C(C#N)=C(N)Oc3c2c(C)nn3-c2ccccc2)c1OCc1cccc(C)c1 1865705448 WBMRQUHIYXUWHF-AREMUKBSSA-N 478.552 5.295 50 10 JKGE COc1ccc(-c2nn(-c3ccccc3)c3c2[C@H](c2ccc(C(F)(F)F)cc2)C(C#N)=C(N)O3)cc1 1865710924 LUXHFLLPAVIHGG-JOCHJYFZSA-N 488.469 5.785 50 10 JKGE Cc1nn(Cc2cccc(Cl)c2)c2c1[C@@H](c1cccc(OCc3ccccc3)c1)C(C#N)=C(N)O2 1865711757 HLVJSKPGIYUAHS-SANMLTNESA-N 482.971 5.690 50 10 JKGE C[C@H](C(=O)N[C@@H](C(=O)Nc1ccc(SC#N)cc1)c1ccccc1)c1ccc(Br)cc1 1866944588 RAOJZZCSXNWJNB-KSFYIVLOSA-N 494.414 5.622 50 10 JKGE COc1cccc(-c2nc(Nc3ccc(SC#N)cc3)cc(N3CCN(CC(C)(C)C)CC3)n2)c1 1868505973 OSZVPPMTKIQMDH-UHFFFAOYSA-N 488.661 5.637 50 10 JKGE COc1ccc(Br)cc1/C=C1\Oc2cc(OCc3cccc(CCl)c3)ccc2C1=O 1871437344 SOBSTSNMUHMYFG-KSEXSDGBSA-N 485.761 6.392 50 10 JKGE COc1ccc(/C=C2\Oc3cc(OCc4cccc(CCl)c4)cc(C)c3C2=O)cc1OC 1871437468 ZIJIQUGPYCTGGK-MSXFZWOLSA-N 450.918 5.946 50 10 JKGE CCc1ccc(-c2csc(/C(C#N)=C(\O)[C@@H](C(C)C)N3C(=O)c4ccccc4C3=O)n2)cc1 1872744362 OPANNSMDOGSEGI-LAGVDGIJSA-N 457.555 5.486 50 10 JKGE COc1ccc(C(C)(C)C)cc1-c1csc(/C(C#N)=C(O)/C=C\c2ccc(Cl)cc2)n1 1872751881 YCPHOJLUMVTGSF-QKHOCTPZSA-N 450.991 7.276 50 10 JKGE COc1ccc(/C=C(C(/O)=C(\C#N)c2nc(-c3c[nH]c4ccccc34)cs2)\c2ccccc2)cc1 1872753369 UCVOQKVHPBPEQC-KOGQMRHXSA-N 475.573 7.333 50 10 JKGE COc1ccc(/C(O)=C(\C#N)c2nc(-c3cc(Cl)cc(Cl)c3OC)cs2)cc1OC 1872754424 RVBKCTKWEXLGRN-RGEXLXHISA-N 463.342 6.093 50 10 JKGE CCOc1ccc(OCC)c(-c2csc(/C(C#N)=C(\O)[C@@H](C)Oc3ccc(Cl)cc3)n2)c1 1872754746 GWSMDWKZGNMHDS-LYLVPTPKSA-N 470.978 6.521 50 10 JKGE COc1c(Cl)cc(-c2csc(/C(C#N)=C(O)/C=C\c3ccc4c(c3)OCCO4)n2)cc1Cl 1872755919 LUJBBTUONFYIQP-XERYZXRTSA-N 487.364 6.403 50 10 JKGE COc1cc(OC)c(-c2csc(/C(C#N)=C(\O)c3ccc(-c4ccccc4)cc3)n2)cc1Cl 1872756310 HGRJXGKPGPRNCZ-QQTULTPQSA-N 474.969 7.098 50 10 JKGE COc1ccc(-c2csc(/C(C#N)=C(\O)[C@H]3CC(=O)N([C@@H](C)c4ccccc4)C3)n2)cc1Cl 1872757459 HJHJOQARDAHSFF-GWSZXWTRSA-N 479.989 5.874 50 10 JKGE COc1ccc(-c2csc(/C(C#N)=C(\O)c3cccc(Oc4ccccc4)c3)n2)c2ccccc12 1872758836 SOKDSEOZBGVSPV-FVDSYPCUSA-N 476.557 7.714 50 10 JKGE CCCCCCOc1ccc(/C=C(\C#N)c2nc(-c3ccc(OCCC)cc3)cs2)cc1OC 1872790797 FTBYINQGACIYBD-HAVVHWLPSA-N 476.642 7.631 50 10 JKGE N#C/C(=C\c1ccccc1OCc1ccccc1Cl)c1nc(-c2cc(Cl)ccc2Cl)cs1 1872795068 LKJLPDUBVWGSGN-WOJGMQOQSA-N 497.834 8.413 50 10 JKGE COc1cc(C)c(-c2csc(/C(C#N)=C/c3ccc(OC(=O)c4ccccc4)c(OC)c3)n2)cc1C 1872795101 NEJPKXGFOLCYHL-HYARGMPZSA-N 496.588 6.728 50 10 JKGE ClC[C@H](C1CC1)N(Cc1ccccc1)Cc1ccc(Cl)c(I)c1 1900404404 HUADFWYTYYVCAP-LJQANCHMSA-N 460.186 5.964 50 10 JKGE COc1cc(C)c([C@H](Br)c2ccccc2I)cc1Br 1901654215 NYLZZZVWDLHKDM-OAHLLOKOSA-N 495.980 5.855 50 10 JKGE O=C(O)[C@@H]1CN(C(=O)OCC2c3ccccc3-c3ccccc32)C[C@@H]1CCCC[C@H]1CCSS1 1906074152 LKEQONLYQCBGPY-AXHZCLLHSA-N 497.682 6.282 50 10 JKGE Cc1c(Br)sc([C@@H](Cl)Cc2ccc(Br)cc2F)c1Br 1922885283 UFXWRJGKEYDKKF-VIFPVBQESA-N 491.445 7.006 50 10 JKGE C[C@H](c1ccncc1Br)[C@@H](Br)c1cc(Br)ccc1Cl 1924042326 ZQTCGEVYXRPCAX-XLKFXECMSA-N 468.414 6.500 50 10 JKGE Brc1sc(Br)c([C@H](Br)CC2CCC2)c1Br 1924577069 WOMPXNARVKERIO-ZCFIWIBFSA-N 481.873 6.662 50 10 JKGE Cc1cccc(C[C@@H](Cl)c2c(Br)sc(Br)c2Br)c1 1924585227 JEIHHMYGKCZKTL-SECBINFHSA-N 473.455 6.867 50 10 JKGE O=C(NC[C@H]1CCC2(CCC2)[C@@H]1Br)c1cc(Br)c(Br)s1 1924802746 MPUQLNDPCDHABM-LDYMZIIASA-N 486.067 5.347 50 10 JKGE Fc1cc([C@@H](Br)c2c(Cl)sc(Cl)c2Cl)ccc1Br 1925587107 GWFKVWNIPPPEBT-MRVPVSSYSA-N 453.385 7.094 50 10 JKGE BrCc1cc(Br)ccc1N(Cc1ccccc1)CC1CCCCC1 1946742956 VALBGSNMOMGBFF-UHFFFAOYSA-N 451.246 6.931 50 10 JKGE O[C@H](c1c(Br)c(Br)cc(Br)c1Br)[C@@H]1C[C@@H]1Cl 1995047355 GNDWCFHDXKPEAA-UBVXDQCRSA-N 498.234 5.397 50 10 JKGE BrC[C@@H](OCCOCCOCc1ccccc1)c1ccc(Br)cc1 2007813912 FCZADBPNMUHZKH-LJQANCHMSA-N 458.190 5.135 50 10 JKGE FC1(F)[C@@H]2COC[C@]21[C@H](Br)c1c(Br)sc(Br)c1Cl 2043518089 CIUUSAQSYDGWIE-WCSIQHINSA-N 487.385 5.644 50 10 JKGE O=S(=O)(c1ccc(CBr)cc1Br)N(Cc1ccccc1)C1CCCC1 2059313173 UZKLYFIEQQKQTE-UHFFFAOYSA-N 487.257 5.478 50 10 JKGE Cc1nn(C)c([C@@H](Cl)c2cc(Br)ccc2Br)c1Br 2072298289 JYTJOTPSYUEYHX-NSHDSACASA-N 457.391 5.344 50 10 JKGE Cc1c(Br)ccc([C@H](Br)c2cc(Cl)n(C)n2)c1Br 2083334199 QWUSVUJWRDSMTL-LBPRGKRZSA-N 457.391 5.391 50 10 JKGE Brc1cc([C@H](Br)[C@H]2C[C@H]3COC[C@H](C3)C2)c(Br)s1 2085748620 QCICODVLIJUDEI-JXVAYASWSA-N 459.041 5.772 50 10 JKGE C[C@H]1[C@@H](Br)C[C@H]2CC[C@H]1N2Cc1cccc(Br)c1Br 2092340779 UNOUROQMXQAOBD-PCGAWMICSA-N 452.028 5.348 50 10 JKGE BrC[C@@]1(Cc2ccc(Br)cc2Br)CC12CCCCC2 2100468061 QRLMVWCRPKFCFU-MRXNPFEDSA-N 451.040 6.490 50 10 JKGE Cc1nn(C)c(Br)c1[C@@H](Br)c1cc(F)c(Br)cc1F 2129266239 VNRYULVGDXQUMM-NSHDSACASA-N 458.926 5.016 50 10 JKGE Cc1c([C@H](Br)c2cc(Cl)c(Br)cc2F)c(Br)nn1C 2131590707 SSSOHPCDJODAJE-LLVKDONJSA-N 475.381 5.530 50 10 JKGE Cc1cc(F)c(Cl)cc1[C@H](Br)c1cc(Br)cc(Br)c1 2137071615 SEQZDNZVFAAVIQ-CQSZACIVSA-N 471.389 6.797 50 10 JKGE COc1cc(Cl)c([C@@H](Cl)c2cccc(I)c2)cc1Br 2137661696 FIUNBFIZZJFIMH-AWEZNQCLSA-N 471.947 6.044 50 10 JKGE COc1cccc([C@@H](Br)CCc2ccc(Br)cc2Br)c1 2155652521 BYKCUESNPJXOJT-HNNXBMFYSA-N 463.007 6.289 50 10 JKGE CC1(C)C[C@H](n2c(CCCl)nc3cc(I)ccc32)[C@@H]1OCc1ccccc1 2156376046 OIOSGKWHHRURPW-FPOVZHCZSA-N 494.804 5.979 50 10 JKGE C[C@@H](CCBr)N(Cc1ccccc1)C(=O)c1ccc(OC(F)(F)F)c(Cl)c1 2163390324 AHSNRVQNXXOIKF-ZDUSSCGKSA-N 464.709 6.055 50 10 JKGE Cc1cc(Br)c([C@@H](Br)C2CC3(C2)CC32CCC2)cc1Br 2183920525 QMLJXOMFVKDXCG-XNYLIXPXSA-N 463.051 6.926 50 10 JKGE Fc1cc(Br)c([C@H](Br)CC(F)(F)C(F)(F)F)c(F)c1Cl 2201611629 ROTZBJXUWLRIFI-SCSAIBSYSA-N 452.389 6.404 50 10 JKGE CS(=O)(=O)c1ccc2c(c1)nc(CCCl)n2CCCN(Cc1ccccc1)Cc1ccccc1 2203263325 BLRWNPOEFBYOSY-UHFFFAOYSA-N 496.076 5.314 50 10 JKGE Cc1c(Br)ccc([C@@H](Br)C(C(F)(F)F)C(F)(F)F)c1Br 2203682239 DCSUHZZJTNIJHN-MRVPVSSYSA-N 492.877 6.697 50 10 JKGE Cc1ccc([C@H](C)[C@@H](Br)c2sc(Br)cc2Br)cc1 2223963535 JNUWJNDERVXXCV-TVQRCGJNSA-N 453.037 6.821 50 10 JKGE BrCC(CBr)(Cc1c(Br)sc2ccccc12)C1CCC1 2232925261 YMIKPSJHKBYNCZ-UHFFFAOYSA-N 481.091 6.783 50 10 JKGE FC1(F)[C@H]2CCC[C@@H]1C[C@H]([C@H](Br)c1cc(Br)c(Br)s1)C2 2233640345 UPAJFMMYSLGSIJ-NHRVJRKFSA-N 493.049 7.171 50 10 JKGE Cc1cc(Br)c([C@H](Br)c2ccc(Br)c3ccccc23)s1 2237634200 VHICPLIIZRBYMI-OAHLLOKOSA-N 475.043 7.219 50 10 JKGE Clc1cc([C@H](Br)Cc2cc(Br)cc(Br)c2)sn1 2252838640 GIJBCVZYDOWOCG-SECBINFHSA-N 460.416 6.000 50 10 JKGE Brc1cc2sc([C@@H](Br)c3nscc3Br)cc2s1 2252911356 RLEORWPEJWRYCU-SECBINFHSA-N 474.062 6.429 50 10 JKGE CCc1cc([C@@H](Br)c2ccc(Br)cc2C)sc1Br 2256051870 GSSYVVJNBLPPHA-ZDUSSCGKSA-N 453.037 6.628 50 10 JKGE Fc1cc(Br)c(F)c(Br)c1[C@@H](Cl)c1cscc1Br 2260000365 YWYKIZBGLPGSJC-JTQLQIEISA-N 481.381 6.642 50 10 JKGE Cc1cc(Br)c([C@H](Br)c2cc3sc(Br)cc3s2)s1 2263617375 FMTYECXCYWYEQN-LLVKDONJSA-N 487.101 7.342 50 10 JKGE COc1c(Cl)cc(Br)cc1[C@H](Cl)c1scc(Br)c1Cl 2264608760 CRVGXWVWNRVVNZ-VIFPVBQESA-N 465.421 6.917 50 10 JKGE Brc1cc(Br)cc(C[C@H](Br)C[C@@H]2CCC[C@@H]3C[C@@H]23)c1 2277956185 PQHAERDHOGMVSI-ZWUHOBOKSA-N 451.040 6.344 50 10 JKGE COc1c(C)cc(C)cc1[C@@H](Br)c1csc(Br)c1Br 2277974001 FEUHTGKKWQDODL-LLVKDONJSA-N 469.036 6.383 50 10 JKGE Fc1ccc(Br)c([C@H](Br)c2cc3sc(Br)cc3s2)c1 2278025897 WMIGGZSZVDGGSX-ZDUSSCGKSA-N 485.035 7.111 50 10 JKGE COc1cc(C)c(Br)cc1[C@H](Cl)c1ccc(Cl)c(I)c1 2283575733 XPLQDIJGJPPAEX-OAHLLOKOSA-N 485.974 6.352 50 10 JKGE CCCC1([C@H](Br)c2cc(Br)ccc2OCc2ccccc2)CCC1 2299492579 DADVHDHWKSHKJR-HXUWFJFHSA-N 452.230 7.435 50 10 JKGE CCCc1sc(Br)cc1[C@H](Br)c1csnc1Br 2300648149 CLKOHZBYAOJPIR-JTQLQIEISA-N 460.054 6.166 50 10 JKGE Cc1c(Br)sc([C@@H](Br)[C@@H]2CCC[C@H]2C(F)F)c1Br 2313071379 WMGZEPOSGGPZLI-BHNWBGBOSA-N 467.011 6.699 50 10 JKGE C=CCc1cc(C=C(C#N)C(=O)Nc2ccc(C)cc2)ccc1OCc1ccc(Br)cc1 2313568031 NYAJQOAZLQHKJQ-UHFFFAOYSA-N 487.397 6.611 50 10 JKGE CCCOc1c(Br)cc(C=C(C#N)C(=O)Nc2ccc(OCC)cc2)cc1OC 2313681267 ZUHYUGKDWOZRCM-UHFFFAOYSA-N 459.340 5.191 50 10 JKGE CCCCCCCC[C@@H](Br)c1ccc(OCc2ccccc2)cc1Br 2314449757 SMDBBDUCWPFBQW-OAQYLSRUSA-N 468.273 8.215 50 10 JKGE CCOC(=O)c1ccc(NC(=O)C(C#N)=Cc2ccc(-c3ccc(Cl)cc3Cl)o2)cc1 2314572308 YEQSPGAEZCVQES-UHFFFAOYSA-N 455.297 5.976 50 10 JKGE N#CC1=C(N)Oc2cc(OC(=O)C=Cc3ccccc3)ccc2[C@H]1c1cccc(Br)c1 2314634116 NRAJPDYCYAGUGB-XMMPIXPASA-N 473.326 5.286 50 10 JKGE Clc1cc(I)c([C@@H](Br)c2ccc3sncc3c2)s1 2316604681 BWCBKTQMKDFMQT-NSHDSACASA-N 470.582 6.100 50 10 JKGE CC1(C)CCC[C@H](Cc2ccc(I)c(Br)c2)[C@H]1Br 2325225602 HDHBVMMSXLKLNO-BXUZGUMPSA-N 486.029 6.186 50 10 JKGE CCOC(=O)c1c(-c2ccc(C)cc2C)csc1NC(=O)C(C#N)=Cc1cccc(Cl)c1 2329687327 RZVMQKZMZYCIRR-UHFFFAOYSA-N 464.974 6.408 50 10 JKGE COc1ccc(C=C(C(O)=C(C#N)c2nc(-c3cccc([N+](=O)[O-])c3)cs2)c2ccccc2)cc1 2331232847 QYBWNDGDHSBDKW-UHFFFAOYSA-N 481.533 6.760 50 10 JKGE N#CC(=C(O)Cc1ccc(Br)cc1)c1nc(-c2ccc(Cl)cc2Cl)cs1 2331250627 MDPIHEHOTRZHIF-UHFFFAOYSA-N 466.187 6.915 50 10 JKGE CCCCc1ccc(-c2csc(C(C#N)=C(O)c3cc(OCC)c(OCC)c(OCC)c3)n2)cc1 2331255847 BOZGWMYHPLKSJX-UHFFFAOYSA-N 492.641 7.299 50 10 JKGE CCCCCCCOc1ccc(-c2csc(C(C#N)=C(O)COc3ccccc3OCC)n2)cc1 2331345325 FHADNKJOZJXHNB-UHFFFAOYSA-N 492.641 7.430 50 10 JKGE CCOc1ccc(-c2csc(C(C#N)=C(O)c3cc(Cl)ccc3OC)n2)c(OCC)c1 2331386678 ZFXMOJSXRYGTCY-UHFFFAOYSA-N 456.951 6.219 50 10 JKGE CCOc1ccc(-c2csc(C(C#N)=Cc3ccc(OCc4ccc(Cl)cc4)cc3)n2)cc1 2331440399 OATVHBCJHUAJHE-UHFFFAOYSA-N 472.997 7.505 50 10 JKGE Brc1cc(Br)cc(C[C@@H](Br)[C@@H]2CC[C@@H]3C[C@H]2CO3)c1 2335066512 LOEKTMMKDQRQTK-CJYSPXJISA-N 453.012 5.333 50 10 JKGE Fc1c(Br)cc(Cl)c([C@H](Br)C[C@]23CCC[C@H]2C3)c1Br 2337085870 FDKDJCVKAWOMKQ-AVLMYEADSA-N 475.421 7.020 50 10 JKGE CN(CC[C@@H](Br)c1cccs1)C(=O)c1cscc1OCc1ccccc1 2340664122 UVEQUHDROMUCRI-QGZVFWFLSA-N 450.423 5.987 50 10 JKGE Clc1cccc([C@H](CBr)Cc2ccc(Cl)cc2I)c1 2341028338 UKQZZSBDPQWVPI-LBPRGKRZSA-N 469.975 6.319 50 10 JKGE Cc1c(Br)ccc([C@@H](Br)[C@]23C[C@H](C[C@H](C)O2)C3)c1Br 2342635778 XNQLEBLCEDPLCG-XTBZUSCZSA-N 453.012 5.914 50 10 JKGE C[C@H](Cl)CN(C(=O)c1ccc(Br)cc1I)C1CCCC1 2368843566 DTTAOAZDVFTDGU-JTQLQIEISA-N 470.576 5.066 50 10 JKGE O=C(c1scc(Br)c1Br)N1CCC[C@@H](Br)[C@H]1C(F)(F)F 2370246033 AHCNUIVBJYWIKE-ANLVUFKYSA-N 499.972 5.204 50 10 JKGE CC(C)(C)OC(=O)Nc1ccc([S@](C)(=O)=NC[C@@](C)(CBr)C(C)(C)C)cc1 2380199934 PZCWYUKTVLDOCD-HRFSGMKKSA-N 461.466 5.938 50 10 JKGE Clc1ccc(I)cc1CN1CCC2(CCC2)[C@@H](CBr)C1 2380510380 CDMCPJUIXFDBNJ-ZDUSSCGKSA-N 468.604 5.332 50 10 JKGE CC(C)(C)Oc1ccc([C@H](Cl)c2cc(I)sn2)cc1Br 2381313962 DVMRYAXNOZVCMD-ZDUSSCGKSA-N 486.600 6.016 50 10 JKGE N#C/C(C(=O)N/N=C\c1ccc(-c2ccccc2)cc1)=C1/C[C@@H](c2ccccc2)c2ccccc21 32601705 GPTFVRJDPXLHPB-GDESTHSOSA-N 453.545 6.317 50 10 JKGE N#C/C(=C/c1cn(CC(=O)Nc2ccccc2)c2ccccc12)C(=O)Nc1ccc(Br)cc1 33850836 LVBPLKFTSNMNLN-JXAWBTAJSA-N 499.368 5.588 50 10 JKGE C[C@]12CC[C@H]3c4ccc(O)cc4C[C@@H](CCCCCCCCCBr)[C@H]3[C@@H]1CC[C@@H]2O 35974474 ILWDBZWOZQESSY-QTQHTDAXSA-N 477.527 7.351 50 10 JKGE COc1ccccc1[C@@H]1C(C#N)=C(N)Oc2cc(OC(=O)[C@H](C)Oc3ccc(C(C)C)cc3)ccc21 38650083 CGRBEIUEAMXSSU-MYUZEXMDSA-N 484.552 5.410 50 10 JKGE N#CC1=C(N)Oc2cc(OC(=O)c3ccccc3Br)ccc2[C@H]1c1cccc(Cl)c1 38651133 CEVMCDQDOZKVLZ-OAQYLSRUSA-N 481.733 5.540 50 10 JKGE CCCCCOc1ccc(C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@H]3c2ccc(CC)cc2)cc1 38677216 BSUYJHANVDBCQQ-NDEPHWFRSA-N 482.580 6.255 50 10 JKGE CCCCOc1ccc(C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@@H]3c2cccc(F)c2)cc1 38678059 CYGFCHVXNORHJT-RUZDIDTESA-N 458.489 5.442 50 10 JKGE CCOc1cccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4ccc(OCC(C)C)cc4)ccc32)c1 38684929 DNHHCRNNEBCZAC-HHHXNRCGSA-N 484.552 5.557 50 10 JKGE N#C/C(=C\c1ccc2noc(-c3ccc(Cl)cc3)c2c1)C(=O)Nc1cccc(Cl)c1Cl 39884630 OLJMTZNBVUIBNV-XNTDXEJSSA-N 468.727 7.001 50 10 JKGE Cc1cccc(C(=O)N/N=C2\CCCc3oc(C(=O)Nc4ccccc4C(F)(F)F)c(C)c32)c1 40811338 VTOFQJXKWLBBHH-NDZAJKAJSA-N 469.463 5.638 50 10 JKGE Cc1ccc2c(CC(=O)N/N=C3\CCCc4oc(C(=O)N5CCC(C)CC5)c(C)c43)coc2c1C 40826584 QZIXNVNVFXZPSN-QUPMIFSKSA-N 475.589 5.222 50 10 JKGE C[C@@H](Oc1ccc(-c2ccccc2)cc1)C(=O)N/N=C/c1ccc(OCc2ccccc2Cl)cc1 40959554 BCDNGRBIGXAWAH-RQQFFKHGSA-N 484.983 6.504 50 10 JKGE CCOc1ccc(/C=C(\C#N)C(=O)Nc2sc(C)c(-c3cccc(Cl)c3)c2C(=O)OC)cc1 41013250 ARLSZGPFAOHKLH-LDADJPATSA-N 480.973 6.108 50 10 JKGE O=C(Cc1ccc(Cl)cc1)N/N=C/c1ccccc1OCc1cccc(Br)c1 48573562 PPFAOUULMYBKQK-AFUMVMLFSA-N 457.755 5.374 50 10 JKGE COc1cc(/C=N/NC(=O)c2cc3ccccc3o2)ccc1OCc1cccc2ccccc12 59680195 VOJZVSJKJBKCIT-STBIYBPSSA-N 450.494 5.938 50 10 JKGE CCC1(CC)[C@@H](Cl)C[C@@H]1Oc1c(Br)cc(Br)cc1Br 97646519 LVHBNWWFMGBPHI-RYUDHWBXSA-N 475.446 6.539 50 10 JKGE CC1=C(C#N)C(=O)N(C[C@@H]2CCCO2)C(=O)/C1=C/c1ccc(-c2ccc(Cl)cc2Cl)o1 101149776 UQGCKHNKENJGAI-HKJBKDEOSA-N 457.313 5.025 50 10 JKGE COc1ccc(Br)cc1[C@@H](Cl)c1ccc(F)cc1I 234845090 VFXKIBAGQFBURH-AWEZNQCLSA-N 455.492 5.530 50 10 JKGE Cc1ccc(C[C@@H](Br)c2cc(Br)ccc2I)cc1C 235863527 PIZIPAVZYQUZDL-OAHLLOKOSA-N 494.008 6.349 50 10 JKGE Cc1cc(OCC(=O)NN=Cc2c(Cl)cccc2Cl)c(C(C)C)cc1Br 252615382 JRRAYBQCYLQZPO-UHFFFAOYSA-N 458.183 5.717 50 10 JKGE O=C(NN=Cc1ccc([N+](=O)[O-])cc1)c1ccc(-n2c(-c3ccccc3)ccc2-c2ccccc2)cc1 254487672 RAOXVFUUBAHGAF-UHFFFAOYSA-N 486.531 6.483 50 10 JKGE Cc1cc(Br)c([C@H](Br)c2cc(Br)c(Cl)s2)cc1Cl 310650831 XRKFXYFFPOTPHF-NSHDSACASA-N 493.873 7.373 50 10 JKGE FC(F)(F)c1csc([C@@H](Br)c2ccc(Br)o2)c1Br 310763454 ZOSVNXVANCHVLL-QMMMGPOBSA-N 468.914 6.369 50 10 JKGE Cc1cc(Br)cc([C@H](Cl)c2cc(I)cc3c2OCC3)c1 312245279 BEWVRHZTOUYWHM-HNNXBMFYSA-N 463.540 5.625 50 10 JKGE Cc1cc(Br)c([C@@H](Cl)c2c(Br)cnn2C)cc1Br 693060352 FGQBEUAUEYRYGT-LLVKDONJSA-N 457.391 5.344 50 10 JKGE BrCc1cc(Br)cc(Br)c1OCCOC1CCCCC1 701320547 WRZSDEARCSIUDJ-UHFFFAOYSA-N 471.027 5.835 50 10 JKGE Clc1cccc(C(CBr)(CBr)Cc2ncc(Br)s2)c1 713638496 KBSDUWHICSAKDV-UHFFFAOYSA-N 488.470 5.829 50 10 JKGE ClCCc1nc2cc(I)ccc2n1C1CC(OCc2ccccc2)C1 716296128 KROTYXCTSGWRCC-UHFFFAOYSA-N 466.750 5.343 50 10 JKGE CN(Cc1ccccc1)CC1CCN(c2cccc(Br)c2CBr)CC1 717579421 NBGHDGRPFAIXKZ-UHFFFAOYSA-N 466.261 5.692 50 10 JKGE COc1cc(F)c(Br)cc1[C@H](Cl)c1cccc(F)c1I 721698090 NNBDJFIAXLJJFA-CYBMUJFWSA-N 473.482 5.669 50 10 JKGE Cc1sc(C)c([C@@H](Br)c2cc(Br)ccc2Br)c1C 722487803 SDZHSYUDTMJHCP-AWEZNQCLSA-N 453.037 6.683 50 10 JKGE CCOc1cc(C=NNC(=O)c2ccccc2Cl)ccc1OCc1cccc2ccccc12 1084355008 ZZASRQJVTNVRDG-UHFFFAOYSA-N 458.945 6.235 50 10 JKGE Cc1cccc(C(=O)NN=C2CCCc3oc(C(=O)Nc4cccc(Cl)c4Cl)c(C)c32)c1 1772744975 PENPNEJJNUHMSX-UHFFFAOYSA-N 470.356 5.926 50 10 JKGE COc1ccccc1C(=O)NN=C1CCCc2oc(C(=O)Nc3cc(Cl)cc(Cl)c3)c(C)c21 1772745971 MOLRYVTWBZDNRJ-UHFFFAOYSA-N 486.355 5.626 50 10 JKGE Cc1cccc(NC(=O)c2oc3c(c2C)C(=NNC(=O)c2ccc(-c4ccccc4)cc2)CCC3)n1 1772747534 PNVSRAZAURFRRL-UHFFFAOYSA-N 478.552 5.681 50 10 JKGE CCc1ccccc1NC(=O)c1oc2c(c1C)C(=NNC(=O)Cc1coc3c(C)c(C)ccc13)CCC2 1772752135 VLIWYDVSVKTUCU-UHFFFAOYSA-N 497.595 6.165 50 10 JKGE COc1ccc(NC(=O)c2oc3c(c2C)C(=NNC(=O)Cc2coc4c(C)c(C)ccc24)CCC3)cc1 1772752203 YSOSQQGPWQTZKL-UHFFFAOYSA-N 499.567 5.611 50 10 JKGE CCCCCCOc1ccc(C=NNC(=O)[C@@H](C)Oc2ccc(-c3ccccc3)cc2)cc1OC 1772755764 RDMQGBIXLCFOSR-JOCHJYFZSA-N 474.601 6.239 50 10 JKGE Cc1cc(C)c(NC(=O)[C@H](C)Oc2cccnc2NC(=O)Nc2ccc(SC#N)cc2)c(C)c1 1858840892 ANESLLGXZGZNFW-SFHVURJKSA-N 475.574 5.630 50 10 JKGE N#CC1=C(N)Oc2c(c(C(F)(F)F)nn2Cc2ccc(Cl)cc2)[C@H]1c1cccc2ccccc12 1865681934 BDOXSWNYCKSBDI-FQEVSTJZSA-N 480.877 5.975 50 10 JKGE CCCc1nn(-c2ccc(Cl)c(Cl)c2)c2c1[C@H](c1ccc(Cl)cc1Cl)C(C#N)=C(N)O2 1865685299 GQLIYQOBEKLTEJ-LJQANCHMSA-N 494.209 6.657 50 10 JKGE CCCc1nn(-c2ccc(Cl)c(Cl)c2)c2c1[C@@H](c1ccc(C(C)C)cc1)C(C#N)=C(N)O2 1865685928 PGEAOCKJRMLPHS-QFIPXVFZSA-N 467.400 6.473 50 10 JKGE CCCc1nn(CCC)c2c1[C@@H](c1ccc(OCCc3ccccc3)c(OC)c1)C(C#N)=C(N)O2 1865688019 GQZXKGGICKIDCK-VWLOTQADSA-N 472.589 5.094 50 10 JKGE CCCCCOc1ccc([C@@H]2C(C#N)=C(N)Oc3c2c(C)nn3Cc2c(F)cccc2Cl)cc1 1865689689 CLGPXDAIPKODPU-XMMPIXPASA-N 480.971 5.820 50 10 JKGE COc1ccc(-c2nn(Cc3cccc(F)c3)c3c2[C@H](c2c[nH]c4ccccc24)C(C#N)=C(N)O3)cc1 1865699963 HOJDTFWSDDMHET-VWLOTQADSA-N 491.526 5.446 50 10 JKGE CC(C)Cn1nc(-c2ccccc2)c2c1OC(N)=C(C#N)[C@@H]2c1cc(Br)ccc1F 1865701726 COYPXGCINKRAJO-IBGZPJMESA-N 467.342 5.326 50 10 JKGE N#CC1=C(N)Oc2c(c(-c3ccccc3)nn2Cc2c(F)cccc2Cl)[C@@H]1c1ccccc1O 1865707724 DPXFOIJEGWIJEK-JOCHJYFZSA-N 472.907 5.315 50 10 JKGE CCCc1nn(-c2ccc(Cl)c(Cl)c2)c2c1[C@H](c1ccc(C(=O)OC)cc1)C(C#N)=C(N)O2 1865709307 UDICCOHZSHZUCI-HXUWFJFHSA-N 483.355 5.136 50 10 JKGE COc1ccc(-c2nn(-c3ccccc3Cl)c3c2[C@@H](c2ccccc2OC)C(C#N)=C(N)O3)cc1 1865710059 NLRLEQZBUUUXBU-QHCPKHFHSA-N 484.943 5.428 50 10 JKGE CCOC(=O)c1cc(-c2ccccc2)sc1NC(=O)/C(C#N)=C/c1ccc(OCCOC)cc1 1866215261 KKHSUMZAQRZRNZ-HMMYKYKNSA-N 476.554 5.163 50 10 JKGE CCC[C@@H](NC(=O)C[C@@H](c1ccccc1)c1cccc(F)c1)C(=O)Nc1ccc(SC#N)cc1 1866776338 MNMXRCXHDGFKLJ-LOSJGSFVSA-N 475.589 5.844 50 10 JKGE Cc1nc(C2CCN(c3cc(Nc4ccc(SC#N)cc4)nc(C(C)(C)C)n3)CC2)sc1C 1868342405 UTRYHCUYNJHARW-UHFFFAOYSA-N 478.691 6.548 50 10 JKGE COC(=O)c1ccc2c(O)nc(/C(C#N)=C/c3cccc(OC)c3OCc3cccc(C)c3)nc2c1 1872728525 GWOSYYWMCLTAEX-FYJGNVAPSA-N 481.508 5.082 50 10 JKGE CCCOc1ccc(-c2csc(/C(C#N)=C(\O)CCCOc3ccc(OC)cc3)n2)cc1 1872749132 CGEPPIPEIQRULS-GYHWCHFESA-N 450.560 6.259 50 10 JKGE COc1ccc(C(C)(C)C)cc1-c1csc(/C(C#N)=C(\O)c2c(Cl)ccc(Cl)c2Cl)n1 1872751383 FPOARGZCZXWSRP-STZFKDTASA-N 493.843 8.026 50 10 JKGE Cc1ccc(C)c(N2C(=O)c3ccc(/C(O)=C(\C#N)c4nc(-c5ccc(F)cc5)cs4)cc3C2=O)c1 1872751692 ATXLDLATFBSRJD-LVWGJNHUSA-N 495.535 6.317 50 10 JKGE N#C/C(=C(/O)CCCOc1ccc(Cl)cc1Cl)c1nc(-c2c[nH]c3ccccc23)cs1 1872753342 SHHLYEGKMOYKMI-PGMHBOJBSA-N 470.381 7.250 50 10 JKGE COc1cc(C)c(-c2csc(/C(C#N)=C(\O)c3c(Cl)ccc(Cl)c3Cl)n2)cc1C(C)C 1872753647 HQSXUUCLDXXAJK-JCMHNJIXSA-N 493.843 8.161 50 10 JKGE N#C/C(=C(/O)Cc1ccc(Br)cc1)c1nc(-c2ccc(Oc3ccccc3)cc2)cs1 1872754020 YSOQUVJKGJAUCE-GYHWCHFESA-N 489.394 7.400 50 10 JKGE COc1ccc(OC)c(C/C(O)=C(\C#N)c2nc(-c3cc(Cl)c(OC)cc3OC)cs2)c1 1872756551 PHFMWZDRXGQPNR-MNDPQUGUSA-N 472.950 5.533 50 10 JKGE COc1cc(C)c(-c2csc(/C(C#N)=C(\O)c3cc(OC)c(OC)cc3[N+](=O)[O-])n2)cc1C 1872758256 SFTZYIFSZFJRGC-JWGURIENSA-N 467.503 5.311 50 10 JKGE COc1ccc(-c2csc(/C(C#N)=C(\O)Cc3ccc(OC(C)C)cc3)n2)c2ccccc12 1872758496 CVEFWSSAPRXVIR-BZZOAKBMSA-N 456.567 6.794 50 10 JKGE CCCCCCOc1ccc(/C=C(\C#N)c2nc(-c3cccc4ccccc34)cs2)cc1OC 1872792286 PSZVXIKUURNXBQ-HAVVHWLPSA-N 468.622 7.995 50 10 JKGE CCOc1ccc(-c2csc(/C(C#N)=C/c3ccc(Br)cc3)n2)c(OCC)c1 1872793964 CLUYOAVJBUOFKT-LFIBNONCSA-N 455.377 6.434 50 10 JKGE Brc1cc([C@H](Br)C2CC(Br)C2)sc1Br 1893068023 CTMQPYLDWWHBTR-MPKXYMLHSA-N 467.846 5.883 50 10 JKGE C[C@H](CBr)N(Cc1ccccc1)S(=O)(=O)c1ccc(Cl)cc1C(F)(F)F 1914349354 XUGKGAYDFCVUNZ-GFCCVEGCSA-N 470.738 5.333 50 10 JKGE Brc1cc(Br)c([C@@H](Br)c2ccc3c(c2)CCO3)s1 1922937186 AFNHDNFRZGSDIY-LBPRGKRZSA-N 452.993 5.692 50 10 JKGE Clc1ccc([C@@H](Cl)c2sc(Br)cc2Br)cc1Br 1922944451 YXCVFUSGVNGAHY-SNVBAGLBSA-N 479.846 7.017 50 10 JKGE O=S1(=O)CCCC[C@H]1[C@@H](Cl)c1c(Br)sc(Br)c1Cl 1923040010 SBQBGXLEOWRMGV-CAHLUQPWSA-N 457.036 5.174 50 10 JKGE Fc1ccc([C@@H](Br)c2c(Br)sc(Br)c2Cl)cc1F 1923040695 WAPABMBPHSFGFD-MRVPVSSYSA-N 481.381 6.689 50 10 JKGE FC(F)(F)C1([C@H](Br)c2c(Br)sc(Br)c2Cl)CCC1 1923066333 OKWIIPAOPPCUKN-ZCFIWIBFSA-N 491.392 7.095 50 10 JKGE Clc1c(Br)sc(Br)c1[C@H](Br)[C@H]1CCc2ccccc2C1 1923071455 IYAGVYAWCFCOGD-CMPLNLGQSA-N 499.493 7.168 50 10 JKGE FC1(F)[C@@H]([C@H](Br)c2c(Br)sc(Br)c2Cl)C12CCCC2 1923074289 JPUNPLNHOSIWMV-SVRRBLITSA-N 499.440 7.188 50 10 JKGE Cc1cc(Br)c([C@H](Br)Cc2ncccc2Br)cc1Cl 1924856396 UIKYPZQWUALNIO-GFCCVEGCSA-N 468.414 6.247 50 10 JKGE C[C@@H]1C[C@@H](N(C)c2cc(Br)ccc2CBr)CN1Cc1ccccc1 1949203260 BEJVQQGYMQLJJX-DNVCBOLYSA-N 452.234 5.443 50 10 JKGE Brc1ccc(Br)c([C@H](Br)C2(Br)CCC2)c1 1960894184 FETJIPXPXCJQHD-JTQLQIEISA-N 461.817 5.965 50 10 JKGE Clc1sc([C@@H](Br)c2cc(Br)cs2)cc1Br 1961677469 ITIUQAPLORBWGG-QMMMGPOBSA-N 451.430 6.472 50 10 JKGE CCOC1([C@@H](Br)c2c(Br)sc(Br)c2Cl)CC1 1979427862 WURCPJLOHNYSMB-ZETCQYMHSA-N 453.421 5.932 50 10 JKGE CC[C@H](Br)CN(Cc1ccccc1)C(=O)c1cc(I)ccc1F 1980671280 NLOCWYIKYUQSKR-AWEZNQCLSA-N 490.154 5.246 50 10 JKGE COc1sc([C@@H](Br)c2nc(C)sc2Br)cc1Br 2003570219 SBFIILXOBTUSBL-SSDOTTSWSA-N 462.026 5.531 50 10 JKGE O=S(=O)(c1ccc(Br)c(CBr)c1)N(Cc1ccccc1)C1CCC1 2009710437 JKRICHNOFIGKFV-UHFFFAOYSA-N 473.230 5.087 50 10 JKGE CCc1cc(Br)c([C@H](Br)c2cccc(Br)c2Cl)s1 2029233781 XIHPUACFVRARQJ-LLVKDONJSA-N 473.455 6.973 50 10 JKGE Clc1cccc(Cl)c1C[C@@H](Br)c1csc(Br)c1Br 2042856274 FEAKIQYEFIDDCR-MRVPVSSYSA-N 493.873 7.259 50 10 JKGE Cc1c(Br)ccc([C@H](Br)c2ccc(Br)cc2)c1Br 2083337154 HERWVDPQHNKAFV-CQSZACIVSA-N 497.850 6.767 50 10 JKGE CC(C)n1ncc(Br)c1C[C@H](Br)c1ccc(Br)cc1 2113491543 PTPOPWQXYVFSET-LBPRGKRZSA-N 451.000 5.668 50 10 JKGE O=C(N[C@@H](CBr)c1cccs1)c1ccc(Br)cc1Br 2119039676 PQHBONRFEMUCKC-NSHDSACASA-N 468.008 5.139 50 10 JKGE CO[C@H]1CC[C@H](C(CBr)(CBr)c2cccc(Br)c2)C1 2130622446 QUTRSNDDNVCBFD-JSGCOSHPSA-N 455.028 5.292 50 10 JKGE BrCc1cc(Br)cc(Br)c1OC[C@H]1C[C@@H]1C1CCC1 2135249834 XRAMUJNRJVBIPG-DGCLKSJQSA-N 453.012 5.922 50 10 JKGE Cc1cc(Br)c(C)c([C@H](Br)[C@@H]2C[C@H](C)O[C@H]2C)c1Br 2136368106 UZMOUEJWCMCBHM-VATFKXGISA-N 455.028 6.078 50 10 JKGE Cc1cc(Br)c(C)c([C@H](Br)C2CCC(F)CC2)c1Br 2136371751 UWEXRAWEYJZQLZ-QKFMDRJYSA-N 457.019 6.793 50 10 JKGE Cc1c(F)ccc([C@H](Br)c2ccc(Br)cc2Br)c1C 2138891588 UIXZYKQWKGYWEV-HNNXBMFYSA-N 450.971 6.452 50 10 JKGE FC(F)(F)c1nc(-c2ccc(Br)cc2I)oc1CCl 2142285586 RILYHUQTLXDSRP-UHFFFAOYSA-N 466.422 5.466 50 10 JKGE C[C@H](Br)C[C@H]1CCCCCN1C(=O)c1csc(Br)c1Br 2150344472 LVUAZKSUNRQUJZ-VHSXEESVSA-N 488.083 5.831 50 10 JKGE O=C(NC[C@@H]1CCC[C@H](CBr)C1)c1c(Br)cccc1Br 2150489337 BJJVINAWNXZQQS-WDEREUQCSA-N 468.027 5.143 50 10 JKGE Brc1cccc(Br)c1[C@@H](Br)Cc1nc2ccccc2s1 2150503314 KYRAOUNVKSMASQ-NSHDSACASA-N 476.031 6.500 50 10 JKGE Brc1cccc(CN2CCC3(CCC(Br)CC3)C2)c1Br 2156000776 LXYMYWUISOPVLO-UHFFFAOYSA-N 466.055 5.741 50 10 JKGE CC(C)CO[C@@H](C)CC(CBr)(CBr)c1ccc(Br)cc1 2165514260 RSHSISVIVYCHAI-ZDUSSCGKSA-N 471.071 5.928 50 10 JKGE Cc1ccc(C(CBr)(CBr)Cc2snc(Cl)c2Cl)cc1 2167230930 HBTBMVGGSYCSSS-UHFFFAOYSA-N 458.046 6.029 50 10 JKGE Fc1ccc(I)cc1[C@@H](Br)c1cc(Cl)cc2c1OCC2 2169668271 ODNIUAYTVDPHFW-CQSZACIVSA-N 467.503 5.503 50 10 JKGE CC1(C)CCC[C@@H](CO[C@H](CI)c2ccc(Br)cc2)O1 2185551262 NMERPTZPOBWBAR-LSDHHAIUSA-N 453.158 5.290 50 10 JKGE Cc1cc(Br)c(C)c([C@@H](Cl)c2ccc(Cl)cc2Cl)c1Br 2201078623 PQBQVWOKMUQBSW-HNNXBMFYSA-N 457.420 7.463 50 10 JKGE COc1c(Br)cc(C)cc1[C@@H](Br)c1c(Br)c(C)nn1C 2203816657 LCVHRXFLMLISEO-GFCCVEGCSA-N 466.999 5.055 50 10 JKGE FC(F)CCC[C@@H](Cl)c1c(Br)sc(Br)c1Br 2212205163 RKKADRSXLDJJNU-SCSAIBSYSA-N 461.391 6.751 50 10 JKGE Cc1cc([C@H](Br)Cc2ccc(Br)cc2Cl)oc1Br 2221694876 IJDHVRNZIPVZEX-SNVBAGLBSA-N 457.387 6.445 50 10 JKGE Fc1cc(Br)c(Br)cc1[C@@H](Br)C1CC(CC2CC2)C1 2225617564 UQXSBTXVOYFFHL-HEEBCNDISA-N 455.003 6.613 50 10 JKGE Fc1cc(Br)c(Br)cc1[C@@H](Br)[C@@H]1CC2(CCC2)CO1 2225619871 OEEXYCDJCYERAW-QWHCGFSZSA-N 456.975 5.746 50 10 JKGE CO[C@H]1C[C@@H](C[C@@H](Br)c2c(Br)cc(C)c(Br)c2C)C1 2227350352 HHHYJXUZXGIUIB-NTZNESFSSA-N 455.028 6.080 50 10 JKGE Cc1cc(Br)c([C@@H](Br)[C@@]2(C)COCCO2)c(C)c1Br 2227360715 VUFJQAYRDUVUTG-ZIAGYGMSSA-N 457.000 5.070 50 10 JKGE Cc1cc(Br)c([C@@H](Br)Cc2ccccc2Br)c(C)c1Cl 2232511285 JRLCOZFWXBICEG-AWEZNQCLSA-N 481.453 7.161 50 10 JKGE O=S1(=O)CCCC[C@H]1[C@@H](Br)c1c(Br)cc(Cl)c(Cl)c1Cl 2232514293 UNYUYBLJPLDCBC-WCBMZHEXSA-N 485.452 5.813 50 10 JKGE CCn1cc([C@H](Cl)c2c(Br)cc(Cl)c(Cl)c2Cl)nc1Br 2232517103 PHTGCSQFRPYRAJ-JTQLQIEISA-N 481.830 6.716 50 10 JKGE Clc1ccc(I)c([C@@H](Cl)c2ccc3c(c2Br)CCO3)c1 2238072002 SGRYWDOYYVSHGK-HNNXBMFYSA-N 483.958 5.970 50 10 JKGE Cc1ccc(I)c([C@@H](Cl)c2c(C)cc(C)c(Br)c2C)c1 2240997724 VLVHRVDNPUTUCV-QGZVFWFLSA-N 463.584 6.616 50 10 JKGE Clc1ccc(Cl)c([C@@H](Br)c2ccc(Cl)c(I)c2)c1 2256335257 GYUXBVIJGYTNIR-ZDUSSCGKSA-N 476.366 6.736 50 10 JKGE Fc1cc(Br)cc(Oc2cc(I)ccc2Cl)c1CCl 2272639017 LOFXCPBVLPIMIN-UHFFFAOYSA-N 475.910 6.377 50 10 JKGE Fc1cc(Br)c(F)c(Br)c1[C@@H](Br)[C@@H]1C[C@H]2CC[C@H]1C2 2272725860 GQFDDRAZVVEDKA-ZNWBZCOPSA-N 458.966 6.362 50 10 JKGE Cc1cc([C@H](Cl)c2c(F)cc(Br)c(F)c2Br)oc1Br 2272841307 MCARSULUSMCSRM-JTQLQIEISA-N 479.340 6.482 50 10 JKGE Cc1sc([C@@H](Cl)Cc2cc(Br)cc(Br)c2)c(C)c1Br 2277886499 AWJOLXLAXVAXGA-LBPRGKRZSA-N 487.482 7.175 50 10 JKGE CC(C)[C@@H]1CCC[C@@H]1[C@@H](Br)Cc1cc(Br)cc(Br)c1 2277947388 HPFNRMGVTBCRQL-JYJNAYRXSA-N 453.056 6.590 50 10 JKGE Clc1ccc([C@H](Br)c2cc3sc(Br)cc3s2)c(Cl)c1 2278019202 HYPCKBKOCMHYNY-ZDUSSCGKSA-N 457.039 7.516 50 10 JKGE Brc1cccc(CN2C[C@H](Br)C[C@H]3CCCC[C@@H]32)c1Br 2279529206 LVWUTDJSUMKJMO-KYOSRNDESA-N 466.055 5.740 50 10 JKGE Fc1cc(Br)ccc1COc1cc(Br)cc(F)c1CBr 2281370067 FFILGDVMUOWNFE-UHFFFAOYSA-N 470.933 5.964 50 10 JKGE C[C@@H](Br)CN(CCC(C)(C)C)Cc1cc(Br)ccc1Br 2288130502 KYNZXZJGIOACFE-GFCCVEGCSA-N 470.087 6.233 50 10 JKGE CCCCOc1ccccc1C=C(C#N)C(=O)Nc1ncc(Cc2ccc(Cl)cc2)s1 2293038628 PURPGEXSURNSFE-UHFFFAOYSA-N 451.979 6.112 50 10 JKGE CCOC(=O)c1c(-n2c(C)cc(C=C(C#N)C(=O)Nc3ccccc3C)c2C)sc2c1CCCC2 2294168607 VAZDRBQVBXRFAY-UHFFFAOYSA-N 487.625 6.065 50 10 JKGE CCc1ccc(NC(=O)C(C#N)=Cc2cc(C)n(-c3ccc(I)cc3)c2C)cc1 2294193006 FAUBUSRBLYACHH-UHFFFAOYSA-N 495.364 5.807 50 10 JKGE CCCCOc1ccc(-c2nn(-c3ccccc3)cc2C=C(C#N)C(=O)NC[C@H]2CCCO2)cc1C 2296538421 OKDKSZHZGYYUGK-AREMUKBSSA-N 484.600 5.229 50 10 JKGE CCCCOC(=O)c1ccc(NC=C(C#N)c2nc(-c3ccc(OC(C)=O)cc3)cs2)cc1 2296798410 QJJYRJWIKPPIPN-UHFFFAOYSA-N 461.543 5.669 50 10 JKGE C[S+](C)(=O)N=P(C(=NNc1ccccc1)c1ccccc1)(c1ccccc1)c1ccccc1 2297742849 VWQCXDLNOQUJGT-UHFFFAOYSA-N 472.574 5.987 50 10 JKGE C[C@]12C[C@]([C@H](Br)c3ccc(OCc4ccccc4)cc3Br)(CO1)C2 2299535451 OVQGZLCFMHBPMO-VAMGGRTRSA-N 452.186 6.033 50 10 JKGE BrCc1cnccc1Oc1cc(Br)cc(I)c1 2301127553 HCROQPIBUQGGHW-UHFFFAOYSA-N 468.914 5.136 50 10 JKGE Cc1ccccc1NC(=O)C(C#N)=Cc1cn(Cc2ccc(Cl)cc2Cl)c2ccccc12 2313540965 GQIGLVJUJLLKNC-UHFFFAOYSA-N 460.364 6.851 50 10 JKGE Cn1nc([C@H](Cl)c2ccc(OCc3ccccc3)cc2Br)c(Cl)c1Cl 2314458000 AILDBZDDCKSLGQ-OAHLLOKOSA-N 460.586 6.397 50 10 JKGE Brc1ccc(OCc2ccccc2)c([C@H](Br)[C@H]2OC[C@@H]3CCC[C@H]23)c1 2314493624 DSKRBROVGQZFNT-OQRYQMPQSA-N 466.213 6.279 50 10 JKGE COc1cccc(NC(=O)C(C#N)=Cc2c(Oc3ccc(Cl)c(C)c3)nc3ccccn3c2=O)c1 2314534040 WPCAAYBSNSTQGQ-UHFFFAOYSA-N 486.915 5.003 50 10 JKGE CCc1ccc(N2C(=O)[C@@H](Cc3ccccc3F)SC2=C(C#N)C(=O)N[C@@H](C)c2ccccc2)cc1 2314593150 IHNIYADEBSZMPF-AFMDSPMNSA-N 499.611 5.692 50 10 JKGE COc1cc(C=C2C(=O)N(C3CCCCC3)C(=O)C(C#N)=C2C)ccc1OCc1ccccc1Cl 2314617466 YVGKBUIWYMKTHQ-UHFFFAOYSA-N 490.987 5.853 50 10 JKGE COc1cc(C=C2C(=O)N([C@@H](C)c3ccccc3)C(=O)C(C#N)=C2C)ccc1OCCC(C)C 2314619009 YCVBMKMJDMKLQR-FQEVSTJZSA-N 458.558 5.474 50 10 JKGE N#CC1=C(N)Oc2cc(OC(=O)C=Cc3ccccc3)ccc2[C@H]1c1ccc(Cl)c(Cl)c1 2314634642 RZOMKZBLNKMORD-XMMPIXPASA-N 463.320 5.830 50 10 JKGE CCCOc1cccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)C=Cc4ccc(Cl)cc4)ccc32)c1 2314634763 HRHJOWXBVALMSU-HHHXNRCGSA-N 486.955 5.966 50 10 JKGE Fc1c(Br)cc(Cl)c([C@H](Br)[C@]23C[C@H](CO2)C3)c1Br 2315445826 AZMWXEJFTDBHGK-LVRCTXOYSA-N 463.366 5.619 50 10 JKGE Cc1ccc2nc(-c3ccc(NC=C(C#N)C(=O)Nc4ccccc4C(C)C)cc3)sc2c1 2324366053 FIPBEJGIZOLIQK-UHFFFAOYSA-N 452.583 6.853 50 10 JKGE FC1(F)CCC[C@@H]2[C@@H]([C@H](Cl)c3c(Br)sc(Br)c3Cl)[C@@H]21 2330159560 BVFHIUVNFSQILA-APOSLCTFSA-N 454.989 6.888 50 10 JKGE COc1ccc(C)cc1-c1csc(C(C#N)=C(O)Cc2ccc(OCc3ccccc3)cc2)n1 2331322657 ADHZWDYZBXCLTC-UHFFFAOYSA-N 468.578 6.742 50 10 JKGE CCCCCCCOc1ccc(-c2csc(C(C#N)=C(O)CNC(=O)c3ccccc3)n2)cc1 2331345882 HBRNLCFEBIYUAB-UHFFFAOYSA-N 475.614 6.382 50 10 JKGE N#CC(=C(O)CCc1nc2ccccc2[nH]c1=O)c1nc(-c2ccc(Oc3ccccc3)cc2)cs1 2331358920 FNEGPNVUIQMMMI-UHFFFAOYSA-N 492.560 6.264 50 10 JKGE CCc1ccc(OCCCC(O)=C(C#N)c2nc(-c3ccc(Oc4ccccc4)cc3)cs2)cc1 2331359047 VINLSJXDNPQJDJ-UHFFFAOYSA-N 482.605 7.817 50 10 JKGE COc1c(Cl)cc(-c2csc(C(C#N)=C(O)c3cccc4ccccc34)n2)cc1Cl 2331397699 VXFSWYYBLKYHMP-UHFFFAOYSA-N 453.350 7.229 50 10 JKGE CCOc1c(Br)cc(C=C(C#N)c2nc(-c3cc(C)ccc3OC)cs2)cc1OC 2331449329 NRJIILBSZVQEBY-UHFFFAOYSA-N 485.403 6.361 50 10 JKGE CCOc1cc(C=C(C#N)c2nc(-c3ccc(C)c(C)c3)cs2)ccc1OCc1ccccc1C 2331473257 VRPCKOUKZAXBJU-UHFFFAOYSA-N 480.633 7.777 50 10 JKGE CCCCOc1ccc(C=C(C#N)c2nc(-c3cc(Cl)cc(C)c3OC)cs2)cc1OCC 2331474775 JQWQVEUYIBXIDQ-UHFFFAOYSA-N 483.033 7.422 50 10 JKGE Fc1cc(Cl)c(Br)c(Cl)c1[C@@H](Cl)c1ccccc1I 2335361203 NXIXVRGPFLRLRA-LBPRGKRZSA-N 494.356 6.828 50 10 JKGE C[C@H](C[C@H](Br)c1c(Cl)cc(Br)c(F)c1Br)C(F)(F)F 2337105259 WBAAACSBOPNRAY-UHNVWZDZSA-N 491.342 7.029 50 10 JKGE CCCc1sc(Br)cc1[C@@H](Br)c1cc(Cl)ccc1Br 2338024794 YKVZBFGLQARDQF-AWEZNQCLSA-N 487.482 7.363 50 10 JKGE COc1c(Br)cc(C)c([C@@H](Br)CC2CC(F)C2)c1Br 2339654510 ALMSHIFQEPECFB-RTBKNWGFSA-N 458.991 6.103 50 10 JKGE CC(C)(C)[C@@H]1CC[C@H]1[C@@H](Br)Cc1cc(Br)cc(Br)c1 2343130899 WTIJCIYTMBOPRI-KFWWJZLASA-N 453.056 6.590 50 10 JKGE CC1(C)CCC[C@]1(CCl)NCc1ccc(I)c(Br)c1 2349830787 CSFAYFWNSMAPPY-OAHLLOKOSA-N 456.593 5.331 50 10 JKGE ClC[C@]1(Cc2ccc(I)c(Br)c2)CCCCC12CC2 2349842780 ZMFAIEKQJUILGT-MRXNPFEDSA-N 453.589 6.176 50 10 JKGE CC(C)(C)C[C@H](CCl)CNCc1ccc(I)c(Br)c1 2349852868 LQRUMNRYEXOEJK-GFCCVEGCSA-N 458.609 5.435 50 10 JKGE COc1ccc(CC[C@H](Br)c2ccc(OCc3ccccc3)cc2Br)cc1 2361194570 JJBNDAPNBCZIPT-QFIPXVFZSA-N 490.235 7.106 50 10 JKGE Brc1cc(OCc2ccccc2)ccc1[C@@H](Br)[C@H]1COc2ccccc2O1 2361200822 MZXNIMXKZNWRBY-FGZHOGPDSA-N 490.191 6.304 50 10 JKGE FC(F)(F)[C@@H]1C[C@H](Br)CCN1Cc1cc(Br)ccc1Br 2361431655 YLADHBJUSXWUQR-PWSUYJOCSA-N 479.960 5.502 50 10 JKGE CC1(C)CO[C@@H](C[C@@H](Br)c2c(Cl)cc(Br)c(F)c2Br)C1 2362225530 QHPLICHXYQCQAQ-JGVFFNPUSA-N 493.436 6.645 50 10 JKGE ClCc1c(Oc2cc(Br)cc(I)c2)ncc2c1CCC2 2364054689 YFPABSLBWUDULU-UHFFFAOYSA-N 464.528 5.469 50 10 JKGE COc1c(Br)cc(C)c([C@@H](Cl)c2cnn(C)c2Br)c1Br 2365175557 IGVXBLIPLGQEIZ-NSHDSACASA-N 487.417 5.353 50 10 JKGE C[C@@H](Cl)CN(C(=O)c1cc(Br)ccc1I)C1CCCC1 2368851858 TVFVINIHNQIYIZ-SNVBAGLBSA-N 470.576 5.066 50 10 JKGE Clc1ccc(CN2C[C@@H]3C[C@@H](CBr)C[C@@H](C3)C2)cc1I 2369265771 TYTNMJHYZVBVCG-ZSOGYDGISA-N 468.604 5.188 50 10 JKGE FC(F)(F)[C@H]1[C@H](Br)CCCN1Cc1ccc(Cl)c(I)c1 2370299208 HXAFURMCWKMFPN-BXKDBHETSA-N 482.509 5.235 50 10 JKGE Cc1c(Cl)cccc1NC(=O)c1ccc(OCC(=O)N/N=C/c2c(O)ccc3ccccc23)cc1 959085 XAPZMXCHFDMXDT-WKULSOCRSA-N 487.943 5.289 50 10 JKGE Cc1cc(C)c(N/C(SCc2cccc(Cl)c2)=C(/C#N)S(=O)(=O)c2ccccc2)c(C)c1 20325757 SVNSCTRYBKTONT-WJTDDFOZSA-N 483.058 6.777 50 10 JKGE CCSc1sccc1[C@@H]1C(C#N)=C(N)N(c2ccc([N+](=O)[O-])cc2Cl)C2=C1C(=O)CCC2 27550437 DKNQUJDKYACPBW-LJQANCHMSA-N 487.006 5.726 50 10 JKGE CCOc1ccc(/C=C/C(=O)Oc2ccc(/C=C(/C#N)c3cccc(Cl)c3)cc2OC)cc1OC 31902409 IWCBWBAZYKYZEY-HHLUSPNUSA-N 489.955 6.439 50 10 JKGE CN(c1ccccc1)c1ccc(/C=C(/C#N)C(=O)Nc2ccc(Cl)cc2Cl)cc1[N+](=O)[O-] 33676829 LWRWWLADEPGCRN-WJDWOHSUSA-N 467.312 6.215 50 10 JKGE CCCc1cc(C(=O)OC)c(NC(=O)/C(C#N)=C\c2c[nH]nc2-c2ccc(Cl)cc2)s1 34983466 CESYGPGCVWPBKW-ZROIWOOFSA-N 454.939 5.076 50 10 JKGE CCc1ccc(O[C@@H](C)C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@@H]3c2cccc(Cl)c2)cc1 38651247 ZBPVKWMQBDMQCI-IVCQMTBJSA-N 474.944 5.493 50 10 JKGE N#CC1=C(N)Oc2cc(OC(=O)COc3ccc(Cl)cc3Cl)ccc2[C@H]1c1ccc(F)cc1 38652549 ACQHIGOQJPTHFJ-HSZRJFAPSA-N 485.298 5.335 50 10 JKGE CCCCOc1ccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4ccc(C)cc4)ccc32)cc1OC 38660046 XDYKIUCCBBTMRT-HHHXNRCGSA-N 484.552 5.620 50 10 JKGE Cc1cc2oc(C(=O)Oc3ccc4c(c3)OC(N)=C(C#N)[C@H]4c3ccc(F)cc3)c(C)c2cc1C 38688059 CFFBHZUOMGVKLY-VWLOTQADSA-N 468.484 5.935 50 10 JKGE CSc1ccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4oc5cc(C)ccc5c4C)ccc32)cc1 38700691 SNJCFLFZXNNIPY-RUZDIDTESA-N 482.561 6.209 50 10 JKGE O=C(C1CCCCC1)N(/N=C/c1ccc(Br)cc1)c1nc2ccc(F)cc2s1 39713946 CVFDVKDHFVGYFK-ZMOGYAJESA-N 460.372 6.145 50 10 JKGE Cc1ccccc1NC(=O)/C(C#N)=C\c1c(Oc2ccc(Cl)cc2)nc2c(C)cccn2c1=O 39858601 XUZRKELYVSHPJB-JXAWBTAJSA-N 470.916 5.303 50 10 JKGE CCCCc1ccc(NC(=O)c2oc3c(c2C)/C(=N/NC(=O)c2ccccc2F)CCC3)cc1 40812329 GVCNSBQYDVKMFX-JBASAIQMSA-N 461.537 5.792 50 10 JKGE Cc1cc(Cl)ccc1NC(=O)c1oc2c(c1C)/C(=N/NC(=O)c1cccc3ccccc13)CCC2 40813559 PQTKBZKEVDWMHJ-UQRQXUALSA-N 485.971 6.426 50 10 JKGE Cc1c(C(=O)Nc2ccccn2)oc2c1/C(=N/NC(=O)c1ccc(Cl)cc1Cl)CCC2 40813747 CYZNPEMGWIHTGV-JVWAILMASA-N 457.317 5.013 50 10 JKGE Cc1cc(C)c2c(CC(=O)N/N=C3\CCCc4oc(C(=O)NCCC(C)C)c(C)c43)coc2c1 40827029 ZLEGOCBGSUQKFQ-ZTKZIYFRSA-N 463.578 5.126 50 10 JKGE COc1cc(/C=N/NC(=O)COc2c(C)ccc(C)c2C)ccc1OCc1ccc(Cl)cc1 40866755 CYDSLFBYCMCALX-CCVNUDIWSA-N 466.965 5.382 50 10 JKGE CCOc1cc(/C=N\NC(=O)CC[C@@H](O)c2ccccc2)ccc1OCc1ccccc1Cl 58890300 CBQGFAKRBQMTCS-TYNJROEQSA-N 466.965 5.282 50 10 JKGE C[C@@H](NC(=O)/C(C#N)=C/c1cc(Br)ccc1OCc1cccc(F)c1)c1ccccc1 59233111 PXERVMGCPDCAGY-VYVDHXHBSA-N 479.349 5.952 50 10 JKGE COc1ccc(/C(CSc2nc3ccccc3s2)=N\NC(=O)c2cccc([N+](=O)[O-])c2)cc1 59460583 VNGNHHSZUNAMAW-QQTULTPQSA-N 478.555 5.140 50 10 JKGE O=C(N/N=C(/CSc1nc2ccccc2s1)c1ccc2ccccc2c1)c1cccc([N+](=O)[O-])c1 59460590 IWFVGSXTYUKQEW-NFFVHWSESA-N 498.589 6.284 50 10 JKGE C=CCNC(=O)/C(C#N)=C1\S[C@@H](Cc2cccc(Cl)c2)C(=O)N1c1ccc(C(C)C)cc1 101241553 VJSSOKRNRGLIPN-JSIHEXFSSA-N 466.006 5.192 50 10 JKGE Brc1cc([C@@H](Br)c2ccc3c(c2)CCO3)c(Br)s1 109870119 JAEPXLDRDFHSSF-LBPRGKRZSA-N 452.993 5.692 50 10 JKGE Cc1c(Br)cccc1[C@H](Br)c1cc(F)c(Br)cc1F 115161629 GZPNYDFLJPLGQJ-AWEZNQCLSA-N 454.934 6.283 50 10 JKGE Cc1sc(Br)cc1[C@@H](Br)c1cc(Br)ccc1Cl 115223285 ALVUYMGRQRXNLC-GFCCVEGCSA-N 459.428 6.719 50 10 JKGE Cc1cc(Br)c([C@@H](Br)c2ccc(F)c(F)c2F)cc1Br 128770903 HZMAEEPDWKIGQZ-LBPRGKRZSA-N 472.924 6.422 50 10 JKGE C[C@@]12CC3CC(C(=O)N/N=C/c4ccc(OCc5ccccc5)c(Cl)c4)(C1)C[C@](C)(C3)C2 169889463 FWRYNBRSWCPUBZ-JZRHTAQOSA-N 451.010 6.366 50 10 JKGE C=CCN1C(=O)C(C#N)=C(C)/C(=C/c2cn(-c3ccccc3)nc2-c2cccc(OCCCC)c2)C1=O 214354432 HURPQHJKAQFZMJ-ITYLOYPMSA-N 492.579 5.496 50 10 JKGE COc1ccc([C@H](Br)c2cccc(C)c2I)c(Br)c1 235000994 UASNPOPLFJTJPP-AWEZNQCLSA-N 495.980 5.855 50 10 JKGE CCc1ccc(-c2cc(C(=O)NN=C(C)CCc3ccc(OC)cc3)c3cccc(Cl)c3n2)cc1 254396861 ZJRJXIGCNQDHOO-UHFFFAOYSA-N 486.015 6.865 50 10 JKGE CCOc1ccc(C=NNC(=O)c2ccc(-c3csc(Nc4ccc(C)cc4)n3)cc2)cc1OC 254514146 KPPXKRQPFCDCKJ-UHFFFAOYSA-N 486.597 6.033 50 10 JKGE CCOc1ccc(C(=O)Oc2ccc(C=NNC(=O)c3ccc(OCc4ccccc4)cc3)cc2)cc1 254567916 VNUIPOMAGBWFLX-UHFFFAOYSA-N 494.547 5.647 50 10 JKGE Cc1ccc(C(=O)NN=Cc2ccc(N3N=C(c4ccccc4)C[C@@H]3c3ccccc3)cc2)cc1 254616526 AWASCKKJZOODHO-GDLZYMKVSA-N 458.565 6.115 50 10 JKGE CCCOc1cccc(-c2cc(C(=O)NN=C(CC)c3cc(O)ccc3O)c3ccccc3n2)c1 254819893 NETQWUYRHUTJOP-UHFFFAOYSA-N 469.541 5.646 50 10 JKGE COc1ccc(C=NNC(=O)COc2ccc(C(C)(C)c3ccccc3)cc2)cc1Br 256017248 XXDAQIJGMHXWSS-UHFFFAOYSA-N 481.390 5.313 50 10 JKGE Cc1cccc([C@H](Br)c2cc(Br)ccc2Br)c1Br 300465388 AOWCHYRMDPZRCX-AWEZNQCLSA-N 497.850 6.767 50 10 JKGE C[C@H](Cl)c1nc2cc(I)c(F)cc2n1[C@H]1CN(Cc2ccccc2)C[C@@H]1C 389868028 MSWXUYHAOBBNGS-YRVVQQKDSA-N 497.783 5.773 50 10 JKGE Clc1cc([C@H](Br)c2cccc(OCc3ccccc3)c2)sc1Br 393940108 VILWYQOQNVZAQN-QGZVFWFLSA-N 472.629 7.227 50 10 JKGE O=C(OCc1ccccc1)N1C[C@@H](CI)[C@@H](c2ccc(Cl)cc2Cl)C1 394512493 FMYBWFRJRHKVIK-PBHICJAKSA-N 490.168 5.781 50 10 JKGE FC1(F)CCCC[C@@H]1COc1c(Br)cc(Br)cc1CBr 394633587 WEMBSRMESUXDPF-SNVBAGLBSA-N 476.981 6.311 50 10 JKGE C[C@@H](Cl)c1nc2cc(F)c(Br)cc2n1[C@@]1(C)CCN(Cc2ccccc2)C1 405976916 XVJMGJABTZHOKN-SZNDQCEHSA-N 450.783 5.859 50 10 JKGE CC(C)(C)OC(=O)NCCN1CCOC[C@@H](c2ccccc2CO[Si](C)(C)C(C)(C)C)C1 616597786 KYXKICCHEKROFA-NRFANRHFSA-N 464.723 5.149 50 10 JKGE CC(C)(C)[Si](C)(C)OCCc1ccc([C@H]2COCCN(CCO[Si](C)(C)C(C)(C)C)C2)cc1 616664588 YIROJEAVUWMNDR-RUZDIDTESA-N 493.881 6.689 50 10 JKGE Cn1cc(Br)c([C@H](Br)c2scc(C(F)(F)F)c2Br)n1 693124087 VPMPOCVYOJMCIS-ZETCQYMHSA-N 482.945 5.510 50 10 JKGE Cn1cc([C@H](Br)c2cc(Br)c(Br)s2)nc1Br 698421109 XHVLOADYHPIQGQ-ZETCQYMHSA-N 493.844 5.253 50 10 JKGE COc1cc(Br)c([C@@H](Br)c2ncsc2Br)cc1OC 698656316 WGMWUQMVXIGVKR-SNVBAGLBSA-N 471.996 5.170 50 10 JKGE BrCc1ccc(N2CC[C@@H]3CC[C@H](C2)N3Cc2ccccc2)cc1Br 717411729 LANPCRWUCRKIRI-AZUAARDMSA-N 464.245 5.587 50 10 JKGE O=C(Nc1ccc(Cl)cc1)[C@H](c1cccs1)N(C(=O)CCl)c1cccc(C(F)(F)F)c1 725237193 BBNJLAOVNUZSCN-IBGZPJMESA-N 487.330 6.372 50 10 JKGE O=C(NN=Cc1ccc(Oc2ccc(C(F)(F)F)cc2[N+](=O)[O-])cc1)c1ccccc1[N+](=O)[O-] 1083984102 MYPGECJRWCJLRJ-UHFFFAOYSA-N 474.351 5.078 50 10 JKGE CCOc1cc(/C=C(/C#N)C(=O)Nc2ccccc2Cl)ccc1OCc1cccc(Cl)c1 1084304886 GIEUMBMSFIMORN-UNOMPAQXSA-N 467.352 6.517 50 10 JKGE COc1ccc(C=NNC(=O)c2ccc(Cl)cc2)cc1OCc1ccc(Br)cc1 1084574372 AXJMQVIIUNCCPS-UHFFFAOYSA-N 473.754 5.454 50 10 JKGE CCOc1cc(C=NNC(=O)c2ccccc2)cc(Br)c1OCc1ccccc1 1084638362 VHTPDILPSQBFRE-UHFFFAOYSA-N 453.336 5.191 50 10 JKGE Cc1c(C(=O)Nc2cc(Cl)ccc2Cl)oc2c1C(=NNC(=O)c1cccnc1)CCC2 1772746725 ZAIZGOSPFAUJAQ-UHFFFAOYSA-N 457.317 5.013 50 10 JKGE N#CC1=C(N)Oc2c(c(-c3ccccc3)nn2Cc2ccccc2)[C@H]1c1cc(Cl)ccc1O 1865688893 DJJWSXOFATYICK-QFIPXVFZSA-N 454.917 5.176 50 10 JKGE CCN(CC)c1ccc([C@@H]2C(C#N)=C(N)Oc3c2c(C)nn3-c2ccc(Br)cc2)cc1 1865702648 YJMHDMFIOKMUNF-JOCHJYFZSA-N 478.394 5.008 50 10 JKGE Cc1ccccc1COc1ccc([C@H]2C(C#N)=C(N)Oc3c2c(C)nn3Cc2ccccc2)cc1 1865703463 VZIKKHVQSJHPNY-MHZLTWQESA-N 462.553 5.345 50 10 JKGE Cc1ccc(C)c(Cn2nc(C(F)(F)F)c3c2OC(N)=C(C#N)[C@H]3c2ccc(C(F)(F)F)cc2)c1 1865710792 ILEMFWLAWWLJOR-GOSISDBHSA-N 492.423 5.804 50 10 JKGE CC[C@@H](CC(=O)N[C@@H](C)C(=O)Nc1ccc(SC#N)cc1)c1cc(Br)ccc1OC 1867129109 VILJZMFWBMFKIQ-GJZGRUSLSA-N 490.423 5.058 50 10 JKGE CC(C)c1ccc(O[C@@H](C)/C(O)=C(\C#N)c2nc(-c3ccc(Cl)cc3Cl)cs2)cc1 1872745012 STTKUUIEUNVAQH-RPIBDXEDSA-N 459.398 7.500 50 10 JKGE CC(=O)Nc1ccc(C/C(O)=C(\C#N)c2nc(-c3cccc(Br)c3)cs2)cc1 1872745725 AHGYEYDNALDVOQ-ZZEZOPTASA-N 454.349 5.566 50 10 JKGE COc1cc(/C=C/C(O)=C(\C#N)c2nc(-c3ccccc3)cs2)cc(Br)c1OC 1872747575 JLEPHEFDYWPLMP-DFVMKROZSA-N 469.360 6.096 50 10 JKGE C[C@H](Oc1ccc(Cl)cc1Cl)/C(O)=C(\C#N)c1nc(-c2ccc3c(c2)OCCO3)cs1 1872750325 BQACVQACTYIHQW-OBZJLHOISA-N 475.353 6.148 50 10 JKGE CCOc1ccc(-c2csc(/C(C#N)=C(\O)CCN3C(=O)c4ccccc4C3=O)n2)c(OCC)c1 1872755529 RSPJJFYTKYYHSK-XDOYNYLZSA-N 489.553 5.086 50 10 JKGE COc1c(Cl)cc(-c2csc(/C(C#N)=C(\O)Cc3ccccc3[N+](=O)[O-])n2)cc1Cl 1872755902 LKEYYXFXROBVBU-AQTBWJFISA-N 462.314 6.069 50 10 JKGE CCOc1cc(/C=C(\C#N)c2nc(-c3ccc(OC)c(C)c3C)cs2)cc(Br)c1O 1872793232 OUGKSPIVSQBPAR-LZYBPNLTSA-N 485.403 6.367 50 10 JKGE COc1cc(/C=C(\C#N)c2nc(-c3ccc(C)c(C)c3)cs2)ccc1OCc1ccc(C)cc1 1872793868 YJXBWTGTLDKUMM-AFUMVMLFSA-N 466.606 7.387 50 10 JKGE COc1ccc(OC)c(-c2csc(/C(C#N)=C(\O)c3ccc(N4CCCC4)c([N+](=O)[O-])c3)n2)c1 1873921017 QACYVZDMAAHCFZ-NKFKGCMQSA-N 478.530 5.286 50 10 JKGE O=C(N[C@@H](CCBr)COCc1ccccc1)c1scc(Br)c1Cl 1902792225 HOIMSCFIWRWPMS-LBPRGKRZSA-N 481.637 5.264 50 10 JKGE CC[C@@H](Br)CN(Cc1ccccc1)C(=O)c1cc(C)cc(Br)c1F 1915133847 YCBIGWFZZQRUCN-OAHLLOKOSA-N 457.181 5.713 50 10 JKGE Cc1c(Br)sc([C@@H](Br)CC(C2CC2)C2CC2)c1Br 1922895292 TWGULMVNTJFVKL-NSHDSACASA-N 457.069 6.844 50 10 JKGE Fc1ccc(Cl)c([C@@H](Br)c2sc(Br)cc2Br)c1 1922936252 VISIMGFSNGQGMX-SNVBAGLBSA-N 463.391 6.550 50 10 JKGE CCC1CCC([C@@H](Br)c2c(Br)sc(Br)c2Cl)CC1 1923038202 HTWQGTPNABWMEL-SFVIPPHHSA-N 479.503 7.579 50 10 JKGE Cn1ncc([C@H](Cl)c2c(Br)sc(Br)c2Cl)c1Br 1923038204 HUVGUTVWTTXDRB-YFKPBYRVSA-N 483.838 5.751 50 10 JKGE Cc1csc([C@H](Br)c2c(Br)sc(Br)c2Cl)c1 1923074113 HGXZARDFVFOJPC-ZETCQYMHSA-N 465.457 6.781 50 10 JKGE C[C@H](c1ccncc1Br)[C@H](Cl)c1ccc(F)cc1I 1924043893 QBBWBHFGDVINRT-CLAHSXSESA-N 454.508 5.671 50 10 JKGE Cc1ccc(Cl)c([C@@H](Br)c2cc(Br)ccc2Br)c1 1925526443 OXYAQLVYMHDOPF-AWEZNQCLSA-N 453.399 6.658 50 10 JKGE Fc1cc2c(cc1I)nc(CCCl)n2-c1cscc1Br 1926847330 AYKVAZWTOVIDPO-UHFFFAOYSA-N 485.547 5.375 50 10 JKGE CC(C)(C)OC(=O)NCCSSCCN[C@H]1CN(Cc2ccccc2)C2(CCCC2)C1 2010825420 KWEUSIXKUXYGRH-OAQYLSRUSA-N 465.729 5.069 50 10 JKGE CC[C@H](C)[C@H](CI)NCc1cccc(Br)c1Br 2023044271 PSUPCNSQFAISRN-CABZTGNLSA-N 475.006 5.151 50 10 JKGE Cc1cc(Cl)c(Br)cc1[C@@H](Cl)c1sccc1I 2023703443 APKYQLVLWMAKQB-LLVKDONJSA-N 461.977 6.405 50 10 JKGE Cc1cc(Cl)c(Br)cc1[C@H](Br)c1sncc1Br 2023711215 SSWFKXFGMLSVJF-JTQLQIEISA-N 460.416 6.114 50 10 JKGE Fc1cc2c(cc1I)nc(CCl)n2[C@@H]1CC[C@H]1OCc1ccccc1 2038730563 VWPAYHALRPYVCR-SJLPKXTDSA-N 470.713 5.439 50 10 JKGE Clc1cc([C@@H](Br)c2cc(Br)cs2)c(Cl)c(Cl)c1Cl 2052451910 RTXRVOADGIUMGD-MRVPVSSYSA-N 469.840 7.609 50 10 JKGE CC(C)C(CCO[C@@]1(CI)CCCN(C(=O)OC(C)(C)C)C1)C(C)C 2068954654 ZHPHHVPGGSIIOH-HXUWFJFHSA-N 467.432 5.526 50 10 JKGE Clc1ccc(Br)c([C@@H](Cl)c2ccc(Br)cc2Br)c1 2083329233 BCXPZPXAQSMJHP-ZDUSSCGKSA-N 473.817 6.956 50 10 JKGE Cc1nc(C[C@@H](Cl)c2ccc(I)c(Br)c2)sc1C 2085803163 QNPMBYHCKBXAMZ-LLVKDONJSA-N 456.574 5.650 50 10 JKGE CCCOCCCC(CBr)(CBr)c1cccc(Br)c1 2092616005 KYLSKLWAWBRMSJ-UHFFFAOYSA-N 457.044 5.684 50 10 JKGE Cc1cc(Br)sc1CN(C)c1ccc(Br)cc1CBr 2100768152 DDOAJGOCCKKFIV-UHFFFAOYSA-N 468.052 6.113 50 10 JKGE BrC[C@@H]1C[C@H]2CCC[C@H]2N1Cc1cc(Br)ccc1Br 2118527718 GHHOOPNUUCDQQK-RIEGTJTDSA-N 452.028 5.350 50 10 JKGE C[C@H]1OCC[C@@H]1CC(CBr)(CBr)c1ccc(Br)cc1 2121123744 ORGIIGOFOCTYRG-VXGBXAGGSA-N 455.028 5.292 50 10 JKGE Cc1cc(Br)c(C)c([C@H](Br)[C@H]2CCC[C@H](F)C2)c1Br 2136373445 BXIAMWFWXSYNLR-ZIBATOQPSA-N 457.019 6.793 50 10 JKGE Cc1cc(Br)c(C)c([C@@H](Br)CC2(C)CCCC2)c1Br 2136379181 ZEXMBHZGWYAIFO-ZDUSSCGKSA-N 453.056 7.235 50 10 JKGE FC1(F)CC[C@@H](COc2c(Br)cc(CBr)cc2Br)OC1 2145048495 ADEOTYXAVNWCCL-VIFPVBQESA-N 478.953 5.300 50 10 JKGE Cc1cc(Br)c([C@H](Br)[C@@H]2CC[C@@H]3[C@H](C2)C3(F)F)cc1Br 2146948122 YILHJXIUFVOHEN-GCDPNZCJSA-N 472.993 6.637 50 10 JKGE FC(F)(F)c1ccc(C[C@@H](Br)c2csc(Br)c2Br)cc1 2150341369 BIJHEOZZHKOMBV-SNVBAGLBSA-N 492.980 6.971 50 10 JKGE O=C(c1csc(Br)c1Br)N1Cc2ccc(CBr)cc2C1 2167520623 XZVMCVMGOWGXEV-UHFFFAOYSA-N 480.019 5.324 50 10 JKGE Fc1ccc(C[C@@H](CBr)Cc2cc(Br)ccc2Br)cc1 2175146103 APUKHVLGZRPXGN-GFCCVEGCSA-N 464.998 6.147 50 10 JKGE FCCOc1ccc([C@H](Br)c2c(Cl)sc(Br)c2Cl)cc1 2189494085 ILXBZSIYHVNMSE-JTQLQIEISA-N 462.993 6.650 50 10 JKGE COc1c(Cl)cc(Br)cc1[C@@H](Br)c1cccc(Cl)c1Cl 2203000657 FYNSCHNJJSAKHT-LBPRGKRZSA-N 459.392 6.902 50 10 JKGE COc1ccc([C@H](Br)c2ccc(Br)cc2Cl)c(Cl)c1Cl 2203433468 PHCYIVYPXNRDOH-GFCCVEGCSA-N 459.392 6.902 50 10 JKGE BrCC(CBr)(C[C@H]1CCCOCC1)c1ccc(Br)cc1 2206824665 VDJCRXAJTXVCQG-ZDUSSCGKSA-N 469.055 5.684 50 10 JKGE Cc1c(Br)sc([C@H](Br)[C@@]2(Cl)CC2(C)C)c1Br 2211991136 USYMFJUVVGDCLC-KWQFWETISA-N 451.449 6.425 50 10 JKGE CCc1cc(Br)c([C@H](Br)c2cc(Br)c(C)s2)s1 2213745832 BMOMVNUVDMLJRE-LLVKDONJSA-N 459.066 6.690 50 10 JKGE CC(C)(C)OC(=O)N1CCC[C@](CI)(OCCCCCC2CC2)C1 2216706788 APQKZANXNUSIQE-LJQANCHMSA-N 451.389 5.178 50 10 JKGE Cl[C@H](c1c(Br)sc(Br)c1Br)[C@@H]1OC[C@H]2CCC[C@@H]21 2218088863 HZHIDOUHMQYFFM-MLTZYSBQSA-N 479.459 6.131 50 10 JKGE Cc1c(Br)sc([C@@H](Br)c2nn(C)c(Br)c2C)c1C 2218786112 WLJSXXQQXAWKQG-QMMMGPOBSA-N 457.029 5.416 50 10 JKGE CC1(C)CCC[C@@H]([C@H](Cl)c2c(Br)sc(Br)c2Br)O1 2219703900 VCKRIOPHDHTRJB-RCOVLWMOSA-N 481.475 6.663 50 10 JKGE C[C@H]1C[C@H]([C@@H](Br)c2cc(Br)c(Br)cc2F)C[C@@H](C)O1 2225634207 NLIBKXFQGMTBIG-FJBRNLEUSA-N 458.991 5.990 50 10 JKGE Cc1ccc([C@@H](Br)c2c(Br)cc(C)c(Br)c2C)cc1Cl 2235603806 KWCKLGLNLAURHB-MRXNPFEDSA-N 481.453 7.275 50 10 JKGE Cc1cc(Br)c([C@@H](Cl)c2c(C)nn(C)c2Br)c(C)c1Br 2235611133 VCVHULAEZBOBMX-CYBMUJFWSA-N 485.445 5.961 50 10 JKGE Fc1ccc(I)cc1[C@@H](Cl)c1c(F)cc(F)c(Br)c1F 2236108667 HNLMAJORSXJIJD-GFCCVEGCSA-N 479.436 5.938 50 10 JKGE Cl[C@@H](c1cc(Br)ccc1Br)c1ccc2c(c1Br)CCO2 2238070404 DUPHGJVWTSWBEX-OAHLLOKOSA-N 481.409 6.237 50 10 JKGE COc1ccc([C@H](Br)c2cc(C3CC3)c(Br)s2)c(Br)c1 2240809945 JXLIPBXIKBXYPK-AWEZNQCLSA-N 481.047 6.643 50 10 JKGE COc1ccc([C@H](Br)c2csnc2Br)c(Br)c1Cl 2256323971 VWZYPGWQEAHLBG-QMMMGPOBSA-N 476.415 5.814 50 10 JKGE C[C@@H](Br)CN(C(=O)c1cc(Br)sc1Br)C(C)(C)C 2259761770 JNRZONWWTSCFQQ-SSDOTTSWSA-N 462.045 5.297 50 10 JKGE Fc1cc(Br)c(F)c(Br)c1[C@H](Cl)c1csc(Br)c1 2260006092 OJJBTDZPYBXZQP-SNVBAGLBSA-N 481.381 6.642 50 10 JKGE Brc1cccc([C@@H](Br)c2cc3sc(Br)cc3s2)c1 2263563670 OBKRFTTYRPDCME-CYBMUJFWSA-N 467.045 6.972 50 10 JKGE Cc1cc(Cl)c(Cl)cc1[C@H](Cl)c1cc(I)ccc1Br 2264375374 RGPILWJCFWAVHJ-AWEZNQCLSA-N 490.393 6.997 50 10 JKGE Fc1cc(Br)c(F)c(Br)c1[C@H](Br)c1cccc(Cl)c1 2272737543 DTUNBRRJZFZHNJ-LLVKDONJSA-N 475.352 6.628 50 10 JKGE CC(C)c1cc(Br)cc([C@H](Br)Cc2ccc(Br)cc2)c1 2280720906 UWCWGXDCDLVXDP-QGZVFWFLSA-N 461.035 7.014 50 10 JKGE CC1(C)CCC(C)(C)[C@H](Br)[C@H]1Cc1cc(Br)ccc1Br 2290312011 VAEHMYKCBWJKSO-UKRRQHHQSA-N 467.083 6.980 50 10 JKGE COc1cccc(C=C(C#N)c2nc3ccccc3[nH]2)c1Oc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] 2294187438 OQRJWIQCFSENAC-UHFFFAOYSA-N 457.402 5.244 50 10 JKGE Brc1cc(Br)cc(C[C@H](Br)c2ccc3c(c2)OCO3)c1 2295338161 SJTSTXDSYDPNET-ZDUSSCGKSA-N 462.963 5.619 50 10 JKGE COc1c(Br)cc(Cl)c(C)c1[C@@H](Cl)c1ccccc1OCc1ccccc1 2295372856 MOVYAZBKMFZNST-NRFANRHFSA-N 466.202 7.327 50 10 JKGE COc1ccc(NC(=O)C(C#N)=C2S[C@@H](Cc3ccc(Cl)cc3)C(=O)N2c2ccccc2)cc1 2296506910 KXHNNCGBUBEXGJ-QHCPKHFHSA-N 489.984 5.414 50 10 JKGE COc1ccc(-c2csc(C(C#N)=CNc3ccccc3I)n2)cc1OC 2296790093 ODGGEKZUZAZVQI-UHFFFAOYSA-N 489.338 5.408 50 10 JKGE N#CC(=Cc1cccc(Oc2ccccc2)c1)c1nc(-c2ccc(C3CCCCC3)cc2)cs1 2296970478 FOYUOBSNBCSVTA-UHFFFAOYSA-N 462.618 8.714 50 10 JKGE Cc1ccc(NC(SCc2c(F)cccc2Cl)=C(C#N)S(=O)(=O)c2ccccc2)c(C)c1 2297350059 QXGGTZJSNAXUBO-UHFFFAOYSA-N 487.021 6.608 50 10 JKGE Cc1cc([C@H](Br)c2cc(Br)ccc2OCc2ccccc2)oc1C 2299492258 CALQXXGFDRJELS-HXUWFJFHSA-N 450.170 6.722 50 10 JKGE CCCOC1([C@@H](Br)c2cc(Br)ccc2OCc2ccccc2)CC1 2299502421 WTQSVVWZNZWCKK-IBGZPJMESA-N 454.202 6.423 50 10 JKGE BrCc1ccccc1Oc1cc(Br)cc(I)c1 2301071585 OOEKFKKHWGUGJN-UHFFFAOYSA-N 467.926 5.741 50 10 JKGE Cc1c(Br)sc([C@H](Br)C[C@H]2CCC[C@@H]3C[C@@H]32)c1Br 2309958301 YJXSWYAPEMCTTM-CHWFTXMASA-N 457.069 6.844 50 10 JKGE Cc1ccc(NC(=O)C(C#N)=Cc2cc(-c3ccccc3)n(-c3ccccc3)c2-c2ccccc2)cc1 2313568820 XOWWMQYERKFBTL-UHFFFAOYSA-N 479.583 7.665 50 10 JKGE Cc1ccc(NC(=O)C(C#N)=Cc2cc(Cl)ccc2OCc2ccc(Cl)cc2Cl)c(C)c1 2313637857 HOUNQESFPQHULX-UHFFFAOYSA-N 485.798 7.388 50 10 JKGE CCc1ccc(N2C(=O)[C@@H](Cc3ccc(C)c(C)c3)SC2=C(C#N)C(=O)Nc2ccccc2C)cc1 2314592575 YAIYCFCVKFYANF-HHHXNRCGSA-N 495.648 6.239 50 10 JKGE C[C@]1(F)C[C@H]([C@H](Br)c2c(Cl)cc(Br)c(F)c2Br)C1 2315446075 CEZPITGIWKRPEI-OAAKCYPXSA-N 467.373 6.578 50 10 JKGE CC12CC(C1)[C@@H]([C@H](Br)c1c(Br)sc(Br)c1Cl)CO2 2315928219 NNWQYTZONBQPPS-UOMSJMQSSA-N 479.459 6.178 50 10 JKGE FC1(F)CCCCC[C@H]1[C@@H](Br)c1sc(Cl)cc1I 2316776969 INJNPSLBWJFJAK-OIBJUYFYSA-N 469.560 6.658 50 10 JKGE COc1ccc(CC(=O)N(Cc2ccccc2)[C@@H](C)CCBr)c(Br)c1 2316806259 ZCBHBYNMIXJVAW-HNNXBMFYSA-N 469.217 5.203 50 10 JKGE CCOC(=O)c1ccccc1NC(=O)C(C#N)=CNc1ccc(-c2nc3ccc(C)cc3s2)cc1 2318455351 ROEWOKRAACDMQZ-UHFFFAOYSA-N 482.565 5.907 50 10 JKGE C[C@@H](c1ccccc1)N1C[C@@H](C(O)=C(C#N)c2nc(-c3ccc4c(c3)CCCC4)cs2)CC1=O 2331239815 CKBQUROXNDDAGC-MBSDFSHPSA-N 469.610 6.091 50 10 JKGE N#CC(=C(O)CNC(=O)c1ccc(Cl)cc1Cl)c1nc(-c2ccc3c(c2)CCCC3)cs1 2331240047 KEZVKRGAMUWHSN-UHFFFAOYSA-N 484.408 6.218 50 10 JKGE CCCOc1ccc(-c2csc(C(C#N)=C(O)[C@@H](C)Oc3ccc(Cl)cc3Cl)n2)cc1 2331318733 VYTICDNDFCVWJL-CQSZACIVSA-N 475.397 7.166 50 10 JKGE COc1ccc(-c2csc(C(C#N)=C(O)C=Cc3ccc(OCc4ccccc4)cc3)n2)c(OC)c1 2331385466 GIJQLPSADWJYTO-UHFFFAOYSA-N 496.588 6.912 50 10 JKGE CCOc1ccc(-c2csc(C(C#N)=C(O)C(=Cc3ccccc3)c3ccccc3)n2)c(OCC)c1 2331386628 UHJPXTYXBORDQL-UHFFFAOYSA-N 494.616 7.641 50 10 JKGE Cc1cc(C)c(-c2csc(C(C#N)=Cc3ccccc3OCc3ccc(Cl)cc3)n2)c(C)c1 2331478800 XOJGTXLNHNKYMP-UHFFFAOYSA-N 471.025 8.032 50 10 JKGE CC[C@](C)(C(F)F)[C@H](Br)c1c(F)cc(Br)c(F)c1Br 2336600452 PEQBRGIPHUKRPF-PWSUYJOCSA-N 470.924 6.607 50 10 JKGE Cn1c([C@H](Br)c2c(Cl)cc(Br)c(F)c2Br)cnc1Cl 2337098930 TYDAOTFFLLYLIZ-QMMMGPOBSA-N 495.799 5.875 50 10 JKGE Fc1c(Br)cc(Cl)c([C@H](Br)CCCC(F)(F)F)c1Br 2337107474 SYUDJYNVOZVEPL-RXMQYKEDSA-N 491.342 7.173 50 10 JKGE Cc1cc(Br)c(F)c(Br)c1[C@H](Br)[C@@]12CC[C@@H](CO1)C2 2339683426 CWAYYYLQCUCCEN-ULOPGQLASA-N 456.975 5.664 50 10 JKGE FC1(F)[C@H]2C[C@@](CBr)(Cc3ccc(Cl)cc3I)C[C@H]21 2341051659 QIDWEEUCLYPMJP-PTEHBNRSSA-N 461.515 5.544 50 10 JKGE Fc1c(Br)cc(Cl)c([C@H](Br)[C@]23CCC[C@@H]2OCC3)c1Br 2362225123 UOSSNQNQBBLELZ-HERUPUMHSA-N 491.420 6.399 50 10 JKGE Fc1c(Br)cc(Cl)c([C@@H](Br)[C@H]2CC23CCCCC3)c1Br 2362227556 GUPJEIKEBXJYBO-PELKAZGASA-N 489.448 7.411 50 10 JKGE CC[C@H](CC(F)(F)F)[C@@H](Cl)c1c(Cl)cc(Br)c(F)c1Br 2362254147 WUASMZUZHSAATC-GPXNAGAYSA-N 460.918 7.263 50 10 JKGE COc1cc(C)c(Br)c(C)c1[C@@H](Br)c1c(Br)ncn1C 2362479234 UVTKJIYLHAPDKZ-GFCCVEGCSA-N 466.999 5.055 50 10 JKGE Cc1cc(Br)c(F)c(Br)c1[C@@H](Br)c1cscc1C(F)F 2365189837 YYBGNCMRZIPQLM-JTQLQIEISA-N 492.980 7.143 50 10 JKGE COc1c(Br)cc(C)c([C@H](Br)C2CC3(COC3)C2)c1Br 2365215260 IMCSHDWOSQUXMX-GFCCVEGCSA-N 469.011 5.391 50 10 JKGE COc1c(Br)cc(C)c([C@@H](Br)C23COC(C)(C2)C3)c1Br 2365215274 IOJUYJHAGGTVJY-WLYUNCDWSA-N 469.011 5.534 50 10 JKGE COc1c(Br)cc(C)c([C@H](Br)[C@@H]2C[C@@H]2C2CCC2)c1Br 2365219997 TTXNJOIWBLJZPF-JTNHKYCSSA-N 467.039 6.401 50 10 JKGE COc1c(Br)cc(C)c([C@H](Br)[C@@H]2C[C@@H]3CCC[C@H]32)c1Br 2365236366 OUKZRBOHKNRGSD-ICUOPCATSA-N 467.039 6.401 50 10 JKGE CC(C)[C@H](Br)C(C)(C)CN(C)C(=O)c1csc(Br)c1Br 2365888004 OLXATGHCYXGWRQ-NSHDSACASA-N 490.099 5.791 50 10 JKGE Cc1sc([C@@H](Br)CCc2cc(Cl)cc(Cl)c2)c(Br)c1C 2366904031 RWUZIOPQZFTVIK-ZDUSSCGKSA-N 457.058 7.503 50 10 JKGE Cl[C@H]1C[C@H](OCc2cc(I)ccc2Br)C12CCCCC2 2367602428 SHEJPOLMUFOZFQ-GJZGRUSLSA-N 469.588 5.901 50 10 JKGE C[C@@H]1CCC[C@]12[C@@H](Cl)C[C@H]2OCc1ccc(I)c(Br)c1 2377592653 BSILJKHEJSNSLJ-CXOGBFNASA-N 469.588 5.756 50 10 JKGE O=C(N/N=c1/oc2ccc3ccccc3c2cc1-c1nc2ccccc2s1)c1ccccc1[N+](=O)[O-] 33423663 VIINLHBQCCEBEI-URGPHPNLSA-N 492.516 6.017 50 10 JKGE N#C/C(=C/c1ccc(-c2c(Cl)cccc2Cl)o1)c1nc(-c2cc3ccccc3oc2=O)cs1 33471758 VZWBCVLGJHTMDD-GDNBJRDFSA-N 491.355 7.547 50 10 JKGE CCCCOc1ccc(/C=C(/C#N)C(=O)Nc2sc(C)c(-c3ccccc3)c2C(=O)OCC)cc1 33586588 SLVBLCSNEOTGHY-XLNRJJMWSA-N 488.609 6.625 50 10 JKGE CC[C@@H]1[C@H](C)[C@H](Nc2ccc(SC#N)cc2)c2ccccc2N1C(=O)c1ccc(OC)cc1 33748614 MISAQJJJNQPHBP-FODJJAHYSA-N 457.599 6.497 50 10 JKGE CCCCOc1ccccc1[C@H]1C(C#N)=C(N)Oc2cc(OC(=O)COc3cccc(C)c3C)ccc21 38682996 VEXASBWEPUVMQE-GDLZYMKVSA-N 498.579 5.685 50 10 JKGE CCCCOc1cccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4cccc(Cl)c4)ccc32)c1 38685224 FKQUUHFUIQKVDP-VWLOTQADSA-N 474.944 5.956 50 10 JKGE CCCCC1CCC(C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@H]3c2ccccc2OC)CC1 38687285 BYWUNIWOPBBPGS-CPHAMLGRSA-N 460.574 5.815 50 10 JKGE Cc1c(C(=O)Oc2ccccc2)oc2c1/C(=N/NC(=O)COc1ccc(Cl)cc1Cl)CCC2 40822077 AEJXEOFSISNZRZ-OVVQPSECSA-N 487.339 5.350 50 10 JKGE COc1cc(/C=N/NC(=O)COc2ccccc2C(C)(C)C)ccc1OCc1ccccc1Cl 40846848 FXYVCVVLUOQLBE-MUFRIFMGSA-N 480.992 5.754 50 10 JKGE COc1cc(/C=N/NC(=O)[C@@H](C)Oc2ccc(-c3ccccc3)cc2)cc(Br)c1OC 40959715 WGGOLZCVSUXVCL-KSXCTLEASA-N 483.362 5.051 50 10 JKGE C/C(=N\NC(=O)CCCSc1nnc(CCc2ccccc2)n1-c1ccccc1)c1ccc(C)cc1 58991060 IGOCZQCZVSKUJO-JJKYIXSRSA-N 497.668 5.774 50 10 JKGE CCOc1ccc([C@@H](C(=O)NC2CCCCCC2)N(Cc2cccs2)C(=O)CCl)cc1OC 97914932 MRXYFIWBLNLAST-DEOSSOPVSA-N 493.069 5.303 50 10 JKGE CC(C)Cc1ccc(-c2csc(/C(C#N)=C\Nc3ccccc3I)n2)cc1 102937661 YDMRVHLJLDKQCH-AQTBWJFISA-N 485.394 6.590 50 10 JKGE COc1c(Br)cc(Cl)cc1[C@@H](Br)c1cc(F)cc(Br)c1 109836020 HAQBQKMMMDUJFJ-ZDUSSCGKSA-N 487.388 6.497 50 10 JKGE O=c1[nH]c2cc(Br)c([C@@H](Br)c3cc(Br)ccc3F)cc2[nH]1 109884382 BDJYVXJNBJQETA-CYBMUJFWSA-N 478.941 5.005 50 10 JKGE Cc1c([N+](=O)[O-])cc(/C(O)=C(/C#N)c2nc3cc(C(F)(F)F)ccc3s2)cc1[N+](=O)[O-] 110562397 YRYCQLZAPNUZMY-LFIBNONCSA-N 450.354 5.390 50 10 JKGE Cc1sc(Br)cc1[C@H](Br)c1cccc(I)c1 114635085 FYMOVHWXQGMNFU-GFCCVEGCSA-N 471.983 5.908 50 10 JKGE COc1cc(Br)ccc1[C@@H](Cl)c1cc(Br)sc1Br 135307483 YALKWKLHTDVSME-LLVKDONJSA-N 475.427 6.372 50 10 JKGE CCOc1cc(/C=C(/C#N)C(=O)NCc2ccco2)ccc1OC(=O)/C=C\c1ccc(C(C)C)cc1 206680472 WWAPHIMCWYSIKI-MHMLQUTASA-N 484.552 5.644 50 10 JKGE Clc1sc([C@H](Br)Cc2cccc(Br)c2)cc1Br 227846026 XERPOABAIWUPGJ-SECBINFHSA-N 459.428 6.605 50 10 JKGE Fc1ccc([C@H](Br)c2cccc(Br)c2Cl)cc1Br 228453797 WADIODNEVYFCPZ-LBPRGKRZSA-N 457.362 6.488 50 10 JKGE Cl[C@H](c1ccc(Br)s1)c1cc(Br)ccc1I 236040228 WSHNDRFGNPCPAH-NSHDSACASA-N 492.401 6.206 50 10 JKGE CCn1c(SCC(=O)NN=C(C)c2cccc3ccccc23)nnc1-c1ccc(C(C)(C)C)cc1 254289012 DOXIQFWUDLOXOS-UHFFFAOYSA-N 485.657 6.048 50 10 JKGE Cc1ccc(-c2nnc(SCC(=O)NN=C/C=C/c3ccco3)n2-c2ccc(C)cc2)cc1 254559460 DNUAQFBYMGZULT-LPSDHVPZSA-N 457.559 5.052 50 10 JKGE O=C(Cc1cccc(C(F)(F)F)c1)NN=Cc1cn(Cc2ccc(F)cc2)c2ccccc12 254746911 MKJCSACSXXONNI-UHFFFAOYSA-N 453.439 5.540 50 10 JKGE COc1ccc([C@@H]2CC(c3ccccc3)=NN2c2ccc(C=NNC(=O)c3cccnc3)cc2)cc1 254874821 MDMKDMDMGVTKQP-NDEPHWFRSA-N 475.552 5.210 50 10 JKGE CCN(C[C@](C)(CI)OCCCc1ccccc1)C(=O)OC(C)(C)C 301907962 QRPNKSSUDGNHRT-FQEVSTJZSA-N 461.384 5.087 50 10 JKGE CSc1ccc([C@@H](Br)c2cc(I)cc3c2OCC3)cc1 312338637 KKVMEMSREPCDQX-OAHLLOKOSA-N 461.162 5.432 50 10 JKGE COc1cc(C)c(Br)cc1[C@@H](Br)c1c(C)cccc1Br 312458710 ADYBPKNQXZFILS-MRXNPFEDSA-N 463.007 6.321 50 10 JKGE C[C@@H](Cl)c1nc2cc(I)c(F)cc2n1C(C)(C)COCc1ccccc1 389944664 LCAMHNCYIHXWKE-CYBMUJFWSA-N 486.756 6.032 50 10 JKGE Fc1cc(Br)cc(Oc2cccc(Br)c2CBr)c1F 394691284 AEXOSZOOQYAUBG-UHFFFAOYSA-N 456.906 6.177 50 10 JKGE CC(C)(C)OC(=O)N1CC[C@@H](c2ccc(CCO[Si](C)(C)C(C)(C)C)cc2)c2ccccc21 616674819 IFYZXJGZCRXQOF-QHCPKHFHSA-N 467.726 7.528 50 10 JKGE O=C(NC1(CCBr)CCCC1)c1scc(Br)c1Br 687286257 AOJNVHNGLMAAPS-UHFFFAOYSA-N 460.029 5.101 50 10 JKGE Cc1cc(Br)c([C@H](Br)c2occc2Br)cc1Br 696506561 KLGZINLUVGOUPR-NSHDSACASA-N 487.811 6.360 50 10 JKGE C[C@@H](CBr)[C@H]1CCCCN1C(=O)c1cc(Br)cc(Br)c1 696708272 CECYZMMXKPIDDM-IINYFYTJSA-N 468.027 5.237 50 10 JKGE CCn1cc([C@H](Br)c2cc(Br)c(F)cc2OC)nc1Br 698393189 VBPHJMSOZVMFGO-GFCCVEGCSA-N 470.962 5.060 50 10 JKGE CC(C)Oc1ccc([C@H](Br)c2scc(Br)c2Br)cc1 705462703 GBZRWOFMOWDRFM-LBPRGKRZSA-N 469.036 6.545 50 10 JKGE Brc1cc([C@H](Br)[C@@H]2CCC[C@H]3CCCC[C@H]32)c(Br)s1 714457369 RCNZWWOHAYNTCG-ZHSDAYTOSA-N 471.096 7.316 50 10 JKGE Fc1cc(F)c(F)c([C@H](Br)c2cccc(F)c2I)c1F 721717871 DQDADNYKIHFTCL-SNVBAGLBSA-N 462.981 5.471 50 10 JKGE Clc1ccc(N=Nc2ccc(N=P(c3ccccc3)(c3ccccc3)c3ccccc3)cc2)cc1 886010534 HZIUDPIGMQUVPI-UHFFFAOYSA-N 491.962 8.565 50 10 JKGE Cc1cc(C=NNC(=O)C(=O)Nc2ccccc2Cl)c(C)n1-c1ccc(Cl)c(Cl)c1 1083939954 YASVVQZAJUNGCK-UHFFFAOYSA-N 463.752 5.143 50 10 JKGE COc1cc(C=NNC(=O)[C@@H](C)n2nnc3ccccc32)ccc1OCc1ccc(Cl)c(Cl)c1 1084089817 JGQYYXSVOYYJNC-OAHLLOKOSA-N 498.370 5.037 50 10 JKGE O=C(Nc1ccc(Cl)cc1)N(CCc1ccc(Br)cc1)N=Cc1ccc(Cl)cc1 1088668437 OSBBVQXTCXGVGF-UHFFFAOYSA-N 491.216 6.867 50 10 JKGE CC1=C(C#N)C(=O)N(CCc2ccccc2)C(=O)/C1=C\Nc1ccc(N=Nc2ccccc2)cc1 1772742760 KJOPOPGBGKMWCH-SJIINKOTSA-N 461.525 5.849 50 10 JKGE CCOc1ccc(C=NNC(=O)COc2ccc(C(C)(C)CC(C)(C)C)cc2)cc1OCC 1772754552 YJBLWILEJXQOQM-UHFFFAOYSA-N 454.611 5.727 50 10 JKGE N#CC1=C(N)Oc2c(c(C(F)(F)F)nn2Cc2ccc(F)cc2)[C@@H]1c1cccc2ccccc12 1865682097 FXTUWKZMVUXBET-HXUWFJFHSA-N 464.422 5.461 50 10 JKGE N#CC1=C(N)Oc2c(c(C(F)(F)F)nn2Cc2ccccc2Cl)[C@@H]1c1ccccc1Cl 1865686110 RJBTYWAPZGUFFU-MRXNPFEDSA-N 465.262 5.475 50 10 JKGE CCCc1nn(-c2ccc(OC)cc2)c2c1[C@@H](c1cccc(OCc3ccccc3)c1)C(C#N)=C(N)O2 1865712111 PTIHHOYOHKBJKW-MHZLTWQESA-N 492.579 5.631 50 10 JKGE COc1ccc([C@H]2C(C#N)=C(N)Oc3c2c(-c2ccccc2)nn3-c2cccc(Cl)c2)cc1 1865712955 MUFSZMPEUFUENL-QFIPXVFZSA-N 454.917 5.419 50 10 JKGE CCCC[C@@H](NC(=O)[C@H](c1ccc(Cl)cc1)C1CCCC1)C(=O)Nc1ccc(SC#N)cc1 1867006405 UXJKPDFPTDZONF-RPWUZVMVSA-N 484.065 6.501 50 10 JKGE C[C@@H]1CN(c2cc(Nc3ccc(SC#N)cc3)nc(-c3ccc(C(C)(C)C)cc3)n2)C(C)(C)CO1 1868544844 LUNVXBCGZILPMO-LJQANCHMSA-N 487.673 6.762 50 10 JKGE COc1c(Cl)cc(-c2csc(/C(C#N)=C(O)/C=C\c3ccc(Cl)cc3)n2)cc1Cl 1872756173 SWLZNNJJNWSWHZ-GOXBMCCXSA-N 463.773 7.285 50 10 JKGE CCCCCCCCCOc1ccc(/C=N/NC(=O)[C@H](C)NC(=O)OC(C)(C)C)cc1OCC 1873794317 CXLNLVNCGDUHLV-RUTRRBQKSA-N 477.646 5.578 50 10 JKGE CC(C)[C@H](CCl)N(Cc1ccccc1)C(=O)c1cccc(F)c1I 1915263493 SMMWALRUPQDWJQ-KRWDZBQOSA-N 459.730 5.336 50 10 JKGE Cc1c(Br)sc([C@H](Br)[C@H]2C(C)(C)C2(F)F)c1Br 1922935833 SPKLULSYBPQQCR-XPUUQOCRSA-N 452.984 6.309 50 10 JKGE Cc1c(Br)sc([C@H](Br)c2scc(Cl)c2Cl)c1Br 1922937097 XRMKBBDHOHHRAT-LURJTMIESA-N 499.902 7.434 50 10 JKGE COc1cc(Cl)ccc1[C@@H](Cl)c1c(Br)sc(Br)c1Cl 1923065295 ARGOSCIXWPCHNW-SECBINFHSA-N 465.421 6.917 50 10 JKGE COCC1([C@H](Br)c2c(Br)sc(Br)c2Cl)CCCCC1 1923072172 NHGLWDMKLLJXGS-SNVBAGLBSA-N 495.502 6.959 50 10 JKGE FC(F)(F)CC[C@H](Cl)c1c(Br)sc(Br)c1Br 1924579285 COGMJGAWMFIYRA-VKHMYHEASA-N 465.354 6.658 50 10 JKGE Cl[C@H](c1c(Br)sc(Br)c1Br)[C@@H]1CC12CCOCC2 1924607514 VZBBEGXLRCMRKB-RCOVLWMOSA-N 479.459 6.132 50 10 JKGE CN(CCN(Cc1ccccc1)S(=O)(=O)c1ccc(CCl)c(Cl)c1)Cc1ccccc1 1946827149 LXMNPHOEOVIADI-UHFFFAOYSA-N 477.457 5.402 50 10 JKGE CC(C)[C@H](C)N(Cc1ccccc1)S(=O)(=O)c1cc(CCl)sc1Br 1946859389 RHGBNNAJLWIVAH-ZDUSSCGKSA-N 450.851 5.485 50 10 JKGE C[C@@H]1CN(Cc2ccccc2)CCN1c1c(CBr)ccc(Br)c1Cl 1948727324 SWFPZOLJPQLGHH-CQSZACIVSA-N 472.652 5.708 50 10 JKGE CC(C)(CCF)[C@@H](Br)c1c(Br)sc(Br)c1Cl 1989221030 WNGURJQPDJHJPP-ZETCQYMHSA-N 457.428 6.748 50 10 JKGE CC1([C@H](Cl)c2c(Br)c(Br)cc(Br)c2Br)CC1 1995046881 BIDQBWGHGINURT-SNVBAGLBSA-N 496.262 6.817 50 10 JKGE CC(C)[C@H](CBr)N(Cc1ccccc1)C(=O)c1ccc(O)c(Br)c1 2003592073 UPEOBEORFSFGKW-KRWDZBQOSA-N 455.190 5.217 50 10 JKGE Cc1c(Br)ccc([C@H](Cl)c2ncsc2Br)c1Br 2024296236 ZFTXVLPIWWJTQZ-VIFPVBQESA-N 460.416 6.067 50 10 JKGE Cl[C@@H](Cc1ccc(Br)cc1)c1c(Br)cccc1Br 2033090592 HMTCEVUUQHMKBL-ZDUSSCGKSA-N 453.399 6.497 50 10 JKGE N#CC(=Cc1c(-c2ccccc2)n(-c2ccccc2)c2ccccc12)c1nc2ccccc2s1 2040456706 DUBWIRWHBQEEIN-UHFFFAOYSA-N 453.570 7.971 50 10 JKGE CC(N)=C(C#N)C(=O)CSc1nnc(-c2ccc(Cl)cc2)n1-c1ccccc1C(C)C 2042440174 IVAAQIFZPACUCU-UHFFFAOYSA-N 451.983 5.129 50 10 JKGE FC1(F)CCCCC[C@@H]1[C@H](Br)c1cc(Br)c(Br)s1 2046372481 CRPUMJGJOZSNFQ-XCBNKYQSSA-N 467.011 6.925 50 10 JKGE Oc1ccc(C(F)(F)F)cc1Cn1nc(CBr)c(Br)c1C(F)(F)F 2079231981 KDRMGJVCIWHOCL-UHFFFAOYSA-N 482.016 5.332 50 10 JKGE BrCc1ccc(N2CC[C@@H]3CCN(Cc4ccccc4)C[C@H]3C2)c(Br)c1 2092523596 JEGWOIMSPUBGIE-PMACEKPBSA-N 478.272 5.692 50 10 JKGE Cc1cc([C@@H](Br)c2cc(Br)cc3c2OCC3)c(Br)s1 2101013798 GOZIVPLVZDTRFM-LBPRGKRZSA-N 467.020 6.001 50 10 JKGE Clc1ccc(Br)cc1COc1c(Br)cccc1CBr 2110519088 QGSJVXYMOYSVNW-UHFFFAOYSA-N 469.398 6.339 50 10 JKGE Fc1ccccc1[C@H](Br)CCc1cc(Br)ccc1Br 2118532114 MITUSYNMIBIDOE-CQSZACIVSA-N 450.971 6.420 50 10 JKGE Brc1cccc(CN2CC3(CCC(Br)CC3)C2)c1Br 2124675037 OFZCSTMXKXEXAZ-UHFFFAOYSA-N 452.028 5.351 50 10 JKGE CO[C@@H]1CC[C@H](C(CBr)(CBr)c2ccc(Br)cc2)C1 2130615639 AECZFRCIDGWMTN-GXTWGEPZSA-N 455.028 5.292 50 10 JKGE C[C@@H](Cl)CCc1cn(-c2c(Br)cc(Br)cc2Br)nn1 2132768445 XNKKMFZCYFPMBO-SSDOTTSWSA-N 472.406 5.115 50 10 JKGE Cc1cc(F)c(Cl)cc1[C@H](Br)c1cccc(F)c1I 2137049383 RJAUKTABLTZWHN-CYBMUJFWSA-N 457.483 6.016 50 10 JKGE Cc1cc(Br)c([C@H](Br)[C@@H]2CC[C@H]3[C@H](C2)C3(F)F)cc1Br 2146948127 YILHJXIUFVOHEN-RTOGKPCTSA-N 472.993 6.637 50 10 JKGE O=S(=O)(c1cc(Cl)cc(CBr)c1Cl)N(Cc1ccccc1)C[C@H]1CCCO1 2179863081 GXQVMZBYUQNWBR-QGZVFWFLSA-N 493.250 5.258 50 10 JKGE C[C@@H](c1nscc1Br)N(C)c1c(CCl)ccc(Br)c1Cl 2186577191 AVUCBTHRKNAFBF-ZETCQYMHSA-N 459.034 6.258 50 10 JKGE Cc1cc(Br)c(C)c([C@H](Br)C2CC3(CCCO3)C2)c1Br 2201069301 VBGLEIRUGODUDR-YWCUFVOSSA-N 467.039 6.224 50 10 JKGE COc1cc(Cl)c([C@H](Br)c2ccc(Cl)c(Cl)c2)cc1Br 2202349266 WYUCIAFQNQKTEL-CQSZACIVSA-N 459.392 6.902 50 10 JKGE Cc1c(Br)ccc([C@@H](Br)[C@H]2CCn3nccc3C2)c1Br 2203701322 ADKDYRUDMPRFEO-BONVTDFDSA-N 463.011 5.415 50 10 JKGE Clc1cc(C[C@@H]2CCc3ccccc3[C@@H]2Br)ccc1I 2208047382 YMXRRNLCNYKKPH-SUMWQHHRSA-N 461.568 6.186 50 10 JKGE Cc1cc(C)c([C@H](Br)c2cc(Br)c(C)cc2Br)s1 2218856232 UJKFGRUFFZCSJW-CYBMUJFWSA-N 453.037 6.683 50 10 JKGE COC[C@@H](C)OC[C@@H](Cl)Cc1sc(Br)c(Br)c1Br 2222473431 SLRHTYWWLAQADH-RQJHMYQMSA-N 485.463 5.237 50 10 JKGE Fc1cc(Br)cc(N2[C@H]3CCC[C@@H]2CN(Cc2ccccc2)C3)c1CBr 2226319153 RQUCSWUPGYBOBD-HDICACEKSA-N 482.235 5.726 50 10 JKGE Cc1cc([C@@H](Br)c2c(Cl)sc(Cl)c2Cl)cc(C)c1Br 2227422542 UFEXMDXDJQLHGU-SNVBAGLBSA-N 463.449 7.572 50 10 JKGE COC12CCC([C@H](Br)c3sc(Br)c(C)c3Br)(CC1)C2 2231593582 FRFXRWCDTCLCNE-LMWSTFAQSA-N 473.068 6.367 50 10 JKGE Cc1cc(Br)c([C@H](Br)[C@@H]2CCC[C@@H](C)CC2)c(C)c1Br 2235600899 SQKNRXYFIOJZJI-OMXAPOSASA-N 467.083 7.481 50 10 JKGE COc1cc(Br)c([C@@H](Br)Cc2ccc(Br)cc2)cc1C 2236007341 IXFHGLXPVYBRKU-AWEZNQCLSA-N 463.007 6.207 50 10 JKGE Fc1cc(Cl)c([C@@H](Cl)c2cc(Br)c(Br)s2)cc1Br 2258114510 XDCFQGZTPHGZKC-SNVBAGLBSA-N 497.836 7.156 50 10 JKGE Fc1cc(C[C@@H](Br)c2scc(Br)c2Br)ccc1Cl 2263467383 VGQZJLBNIADRNI-SSDOTTSWSA-N 477.418 6.744 50 10 JKGE CC1([C@H](Br)c2cc(Br)ccc2Br)CC(C(F)(F)F)C1 2264516499 ASLXVCVXDCOBPP-JBGOAQBUSA-N 464.945 6.626 50 10 JKGE CC(C)(C)OC(=O)N1CCC[C@](CBr)(OCc2c(F)cc(Br)cc2F)C1 2271571156 KFGUJFVEKFVSER-GOSISDBHSA-N 499.190 5.409 50 10 JKGE C[C@@H]1C[C@H](C[C@H](Br)c2c(F)cc(Br)c(F)c2Br)CO1 2272723320 FHZWPGMAUBSRMF-PRJMDXOYSA-N 462.954 5.741 50 10 JKGE COc1c(Br)cc(Cl)c(C)c1[C@H](Br)c1cocc1Br 2277979631 AHLBZHLVHYVNNF-GFCCVEGCSA-N 473.386 6.259 50 10 JKGE FC(F)(F)c1cc([C@@H](Br)Cc2cc(Br)cc(Br)c2)cs1 2295330065 QJZWJEQOWYDIOL-NSHDSACASA-N 492.980 6.971 50 10 JKGE CCCCOc1ccc(-c2nn(-c3ccccc3)cc2C=C(C#N)c2nc3ccccc3[nH]2)cc1Cl 2296545425 PTTWCAJYBGOUKY-UHFFFAOYSA-N 493.998 7.312 50 10 JKGE CCCOc1ccc(-c2nn(-c3ccccc3)cc2C=C(C#N)C(=O)NCc2ccco2)cc1C 2296729468 NVWHBTOIXAOODL-UHFFFAOYSA-N 466.541 5.453 50 10 JKGE CCc1cccc(CC)c1NC(SCc1cccc(F)c1)=C(C#N)S(=O)(=O)c1ccccc1 2297350010 LNJDPNUEXAAGFA-UHFFFAOYSA-N 480.630 6.462 50 10 JKGE COc1ccc2nc(C(C#N)=Cc3cc(Cl)c(OCc4cccc([N+](=O)[O-])c4)c(OC)c3)[nH]c2c1 2297376713 UQTXJWAZPGIAJQ-UHFFFAOYSA-N 490.903 5.785 50 10 JKGE N#CC(=Cc1cc(Cl)ccc1OCC(=O)Nc1ccccc1Cl)c1ccc([N+](=O)[O-])cc1 2297578597 IAIYFGYPRYDFJW-UHFFFAOYSA-N 468.296 5.983 50 10 JKGE FC1(F)CCC[C@H]1[C@H](Br)c1ccc(OCc2ccccc2)cc1Br 2299493582 GIZGISSQFVIZCL-FUHWJXTLSA-N 460.156 6.900 50 10 JKGE C[C@@H]1COCC[C@H]1[C@@H](Br)c1cc(Br)ccc1OCc1ccccc1 2299494260 NGIUVXXUMROBHH-WIBUTAKZSA-N 454.202 6.137 50 10 JKGE FC1(F)[C@H]([C@H](Br)c2cc(Br)ccc2OCc2ccccc2)C12CC2 2299503383 FGJBRSPVYLSCLC-IAGOWNOFSA-N 458.140 6.509 50 10 JKGE CCn1cc([C@@H](Cl)c2sc(Cl)cc2I)nc1Br 2300949241 JMDKNTHKLWOCSW-MRVPVSSYSA-N 465.969 5.313 50 10 JKGE CCCOc1c(I)cc(C=C(C#N)C(=O)Nc2cccc(C)c2C)cc1OC 2313518124 KXGCIBYRXFNINL-UHFFFAOYSA-N 490.341 5.251 50 10 JKGE N#CC(=Cc1cn(Cc2ccccc2)c2ccc(Br)cc12)C(=O)NCc1cccs1 2313624333 PWYMUVXXIAYXIR-UHFFFAOYSA-N 476.399 5.737 50 10 JKGE COc1cc(C=C(C#N)C(=O)Nc2ccc(Cl)c(Cl)c2)ccc1OCc1cccc(F)c1 2313631832 WRRYMIWNGPGGKV-UHFFFAOYSA-N 471.315 6.266 50 10 JKGE COc1ccc(CNC(=O)C(C#N)=Cc2ccccc2OCc2ccc(Cl)c(Cl)c2)cc1 2313670665 NXRODNWXRZIDLV-UHFFFAOYSA-N 467.352 5.804 50 10 JKGE N#CC(=Cc1cc(Cl)ccc1OCc1ccccc1Cl)C(=O)Nc1cccc(C(F)(F)F)c1 2313676605 IXEVWKSWVATMDX-UHFFFAOYSA-N 491.296 7.137 50 10 JKGE N#CC(=Cc1cccc(OCc2ccc(Cl)cc2Cl)c1)C(=O)Nc1cccc(C(F)(F)F)c1 2313724689 UDCWBLKCCDSBHD-UHFFFAOYSA-N 491.296 7.137 50 10 JKGE Fc1cc(Cl)c(Br)c(Cl)c1[C@H](Br)c1csc(Br)c1 2313743314 JUGNTDGGIZKRFU-SECBINFHSA-N 497.836 7.203 50 10 JKGE Fc1cc(Cl)c(Br)c(Cl)c1[C@H](Cl)c1sccc1Br 2313748661 KUZPYCAYHUCNOO-JTQLQIEISA-N 453.385 7.047 50 10 JKGE Clc1ccc(COc2nc(Cl)c(CBr)s2)c(I)c1 2317809793 CMLJXECXLXWKRG-UHFFFAOYSA-N 478.964 5.528 50 10 JKGE O=C(NN=Cc1cccc(OCc2ccccc2Cl)c1)c1ccc2[nH]c3c(c2c1)CCCC3 2321672233 QAEWDJAGKGVZRC-UHFFFAOYSA-N 457.961 6.043 50 10 JKGE CC[C@H](NC(=O)C(C#N)=CNc1ccc(Br)cc1C)c1ccc2c(c1)CCCC2 2325092874 DMPJKEMEFJVBDY-QFIPXVFZSA-N 452.396 5.723 50 10 JKGE CCOC(=O)c1c(NC(=O)C(C#N)=Cc2cccc(Cl)c2)sc(C(=O)Nc2ccccc2)c1C 2329690170 KWWYIHGSLDEJHD-UHFFFAOYSA-N 493.972 5.685 50 10 JKGE Cc1ccccc1C=C(C=O)N1CCC2(C=Cc3ccc(OCc4ccccc4)cc3O2)CC1 2329930103 XPOOJPRDMTVWKL-UHFFFAOYSA-N 451.566 6.054 50 10 JKGE Fc1cc(Br)cc(N2CC[C@@H]3CC[C@H](C2)N3Cc2ccccc2)c1CBr 2330143678 VJGZYGHCSPKDDV-ZWKOTPCHSA-N 482.235 5.726 50 10 JKGE COc1cc(C=C(C#N)c2nc3cc(C)ccc3n2C)ccc1OCc1ccc(Cl)cc1Cl 2331018536 KPYPUIMTNKWUOJ-UHFFFAOYSA-N 478.379 6.840 50 10 JKGE COc1cc(C=C(C#N)c2ncccc2[N+](=O)[O-])ccc1OCc1ccc(Cl)c(Cl)c1 2331059457 DIWDUGRUDYQJOG-UHFFFAOYSA-N 456.285 5.948 50 10 JKGE COc1ccc(-c2csc(C(C#N)=C(O)c3ccc(N4CCCC4)c([N+](=O)[O-])c3)n2)cc1C 2331260135 IKRQKNAKMBKITD-UHFFFAOYSA-N 462.531 5.585 50 10 JKGE CCOc1ccc(-c2csc(C(C#N)=C(O)c3cc(OCC)c(OCC)c(OCC)c3)n2)cc1 2331305365 VEZDDKNGSAEAMV-UHFFFAOYSA-N 480.586 6.355 50 10 JKGE CC(C)(C)c1ccc(C(=O)NCC(O)=C(C#N)c2nc(-c3ccc(F)c(F)c3)cs2)cc1 2331351707 RBWGSGCSLUXHCE-UHFFFAOYSA-N 453.514 5.608 50 10 JKGE COc1c(Cl)cc(-c2csc(C(C#N)=C(O)c3c(F)cccc3Cl)n2)cc1Cl 2331397949 LKVKYJWAVVYFSU-UHFFFAOYSA-N 455.725 6.868 50 10 JKGE CCCCCCOc1ccc(C=C(C#N)c2nc(-c3cccc(Cl)c3)cs2)cc1OC 2331439840 UHKUQLXFHFNAAK-UHFFFAOYSA-N 453.007 7.495 50 10 JKGE COc1c(Cl)cc(-c2csc(C(C#N)=Cc3ccc(Cl)c(Cl)c3)n2)cc1Cl 2331480248 AIWQYJFUHPEWGW-UHFFFAOYSA-N 456.181 7.496 50 10 JKGE Cc1c(F)ccc([C@H](Br)c2ccc(Br)cc2Br)c1Cl 2338769026 ULYOOHNWLJARKW-CYBMUJFWSA-N 471.389 6.797 50 10 JKGE Cc1cc(Br)c(F)c(Br)c1[C@H](Br)C[C@H]1OCC[C@H]1C 2339681679 KRFUDCKMQYYFBF-BCMRRPTOSA-N 458.991 5.910 50 10 JKGE Clc1ccc(CN2CCC(CCCBr)CC2)c(I)c1 2341026417 AMCFESVROAPBHW-UHFFFAOYSA-N 456.593 5.332 50 10 JKGE CCC[C@@H]1CC[C@H](Br)[C@H](Cc2cc(I)ccc2Cl)C1 2352426407 UAXSDZOCMBSWJY-XUJVJEKNSA-N 455.605 6.467 50 10 JKGE BrC1CCC([C@@H]2CCN(Cc3sccc3I)C2)CC1 2353247902 CHBMMUNPGWTHAL-OTTFEQOBSA-N 454.215 5.128 50 10 JKGE Fc1c(Br)cc(Cl)c([C@H](Br)CC(C2CC2)C2CC2)c1Br 2362221671 DOLOSTCTOCXPEL-SNVBAGLBSA-N 489.448 7.266 50 10 JKGE Cc1cc(Br)c(F)c(Br)c1[C@H](Br)C1[C@@H]2CCCCC[C@@H]12 2365191859 RXYKPFHKKZSLGA-RULNRJAQSA-N 469.030 6.921 50 10 JKGE Cc1cc(Br)c(F)c(Br)c1[C@H](Br)[C@H]1CC[C@@H]1C(F)(F)F 2365192420 CHBFIPFKPZDUQJ-MHYGZLNHSA-N 482.935 6.684 50 10 JKGE CCn1ncc(Br)c1[C@@H](Cl)c1c(C)cc(Br)c(F)c1Br 2365192987 FODRUVIUIVBMOQ-NSHDSACASA-N 489.408 5.966 50 10 JKGE CCc1cc(Br)c(OC)c([C@H](Cl)c2scc(Br)c2Cl)c1 2381255192 DYMWXHLRBZONPH-NSHDSACASA-N 459.030 6.826 50 10 JKGE Cc1ccccc1C[C@@H]1S/C(=C(/C#N)C(=O)Nc2ccc(F)cc2)N(c2ccc(F)cc2)C1=O 2201923 GUIRNMQZTWFQSW-YDYXIROLSA-N 475.520 5.338 50 10 JKGE COc1ccccc1NC(=O)COc1ccc(Cl)cc1/C=C(/C#N)c1ccc([N+](=O)[O-])cc1 33475792 RWLKFUPMPLPPRR-PDGQHHTCSA-N 463.877 5.338 50 10 JKGE C=CCOc1ccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4ccc(OCC)cc4)ccc32)cc1 38658099 FAJSYVNJEYSGKR-SANMLTNESA-N 468.509 5.087 50 10 JKGE COc1ccc(OC)c([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4ccc(C(C)(C)C)cc4)ccc32)c1 38659701 UVIUESFGZQRKTF-SANMLTNESA-N 484.552 5.439 50 10 JKGE N#CC1=C(N)Oc2cc(OC(=O)c3ccccc3F)ccc2[C@@H]1c1ccccc1Br 38678867 LFRLGXWMDZOIEI-NRFANRHFSA-N 465.278 5.026 50 10 JKGE COc1cc(/C=C(\C#N)c2ccccc2)ccc1OC(=O)/C=C/c1ccc(Cl)cc1Cl 40851082 HFPNUJJQGOKSAX-UKRUMFJESA-N 450.321 6.685 50 10 JKGE CCOc1ccc(/C=C(\C#N)C(=O)Oc2ccc(/C=C(\C#N)c3ccc(Cl)cc3)cc2OC)cc1 40864640 LWSOEQANZADOHN-DPFHIXPQSA-N 484.939 6.324 50 10 JKGE CCCCCCOc1ccc(/C=N/NC(=O)CSc2nc(-c3ccccc3)cs2)cc1OCC 40924587 YZSYUATYDAWIRM-WPWMEQJKSA-N 497.686 6.410 50 10 JKGE CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(Cl)cc2)ccc1OCc1ccc(Cl)cc1 59116936 TYSBURBDHRVISR-CPNJWEJPSA-N 467.352 6.517 50 10 JKGE COc1ccc(O)c(/C=N/NC(=O)CSc2c(Cl)c(Cl)c(Cl)c(Cl)c2Cl)c1 59146367 ZRKBLOZVAZMURJ-RREIPUBJSA-N 488.607 5.910 50 10 JKGE C[C@@H](Sc1ccccn1)C(=O)N/N=C1/C(=O)N(C(c2ccccc2)c2ccccc2)c2ccccc21 59147536 DLLAMEXUBJLIDE-CJKAMLGESA-N 492.604 5.219 50 10 JKGE COc1ccc(/C=N/NC(=O)c2ccc(-n3c(C)ccc3-c3ccccc3)cc2)c(OC)c1OC 59680284 RTKLZQJQSGLMQC-RDRPBHBLSA-N 469.541 5.242 50 10 JKGE CC/C(=N/NC(=O)c1ccc(COc2ccc(C(C)(C)C)cc2)cc1)c1ccc(OC(F)F)cc1 89914158 HNHYGMFNUUHXDR-GDWJVWIDSA-N 480.555 6.709 50 10 JKGE C[C@@H]1CCCC[C@@H]1NC(=O)[C@@H](c1ccccc1Cl)N(CCC1=CCCCC1)C(=O)CCl 97914372 QHIUIHVOUXBIFR-RVSNTGDXSA-N 465.465 6.034 50 10 JKGE CCCCOc1ccc([C@@H](C(=O)NC2CCCCC2)N(Cc2cccs2)C(=O)CCl)cc1 97915105 XUMWRSJMKDAXLG-DEOSSOPVSA-N 477.070 5.685 50 10 JKGE O=C(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(C(F)(F)F)C(F)(F)F 100424285 MTWYDIQAJFAPGH-UHFFFAOYSA-N 466.062 5.492 50 10 JKGE CCc1ccc(N2C(=O)[C@@H](Cc3ccccc3F)S/C2=C(/C#N)C(=O)N[C@@H](C)c2ccccc2)cc1 101242915 IHNIYADEBSZMPF-IKSBWNIOSA-N 499.611 5.692 50 10 JKGE Brc1cc([C@@H](Br)c2ccc3c(c2)CCC3)c(Br)s1 109869949 IWIMEBXGSVGSQN-ZDUSSCGKSA-N 451.021 6.246 50 10 JKGE BrC[C@H](CCOc1cccc(Br)c1)c1cccc(Br)c1 118859393 CRLJNSVAJZYCRA-ZDUSSCGKSA-N 463.007 6.159 50 10 JKGE Cc1cccc(CC(CBr)(CBr)c2ccc(Br)cc2)c1 118878600 WAANBGDEMOGTLE-UHFFFAOYSA-N 461.035 6.028 50 10 JKGE Fc1c(Cl)cccc1[C@H](Br)c1cc(Br)sc1Br 131156947 PFNMTLVTFDLDLK-VIFPVBQESA-N 463.391 6.550 50 10 JKGE Fc1cc([C@@H](Br)c2cc(Br)sc2Br)c(F)cc1Cl 167720466 LIPFRUYHQYNBPO-SNVBAGLBSA-N 481.381 6.689 50 10 JKGE Cc1cc(Br)cc(CBr)c1OCc1ccc(Br)cc1Cl 168185715 HNVXGOWPLMCHAV-UHFFFAOYSA-N 483.425 6.647 50 10 JKGE O=C(Cc1ccccc1)N/N=C\c1ccc(-n2nc(-c3ccccc3)cc2-c2ccccc2)cc1 169901078 KUTZFKAQKQSTQB-VAMRJTSQSA-N 456.549 5.899 50 10 JKGE CCOc1cccc(-c2nn(-c3ccccc3)cc2/C=C(/C#N)S(=O)(=O)c2ccc(F)cc2)c1 210035313 YXWLRRITUBTWQA-XYGWBWBKSA-N 473.529 5.415 50 10 JKGE N#C/C(=C/Nc1cc(C(F)(F)F)cc(C(F)(F)F)c1)C(=O)Nc1cc([N+](=O)[O-])ccc1Cl 217234578 MURQPEFLCKFGCZ-HJWRWDBZSA-N 478.736 5.744 50 10 JKGE Cc1ccc(Br)c([C@H](Br)c2cc(Br)cc3c2OCC3)c1 228445689 CFJDORCQWMMDBT-HNNXBMFYSA-N 460.991 5.939 50 10 JKGE Fc1cc([C@@H](Cl)c2ccc(I)c(Cl)c2)c(F)cc1Br 232344102 YOMIPOOZKXAWOJ-ZDUSSCGKSA-N 477.901 6.314 50 10 JKGE O=[N+]([O-])c1ccccc1C[C@H](Br)c1cc(Br)cc(Br)c1 232475213 QJXPDUHCLKTMQA-ZDUSSCGKSA-N 463.951 5.799 50 10 JKGE CC(C)CCC[C@H](C)[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 251428759 RJYDKYCTOASENH-XAGBMBRSSA-N 491.200 8.957 50 10 JKGE biogenic CC(=NNC(=O)c1cccc2ccccc12)c1cccc(NC(=O)COc2ccc(Cl)cc2C)c1 252628931 TVAKTQGKQWJNFD-UHFFFAOYSA-N 485.971 5.973 50 10 JKGE CCCCOc1ccc(C(=O)NN=Cc2ccc(OC(=O)c3cccc4ccccc34)cc2)cc1 254417492 UCLZJCBGRABMRZ-UHFFFAOYSA-N 466.537 6.002 50 10 JKGE CC(=NNC(=O)c1cc(-c2ccc(Br)cc2)nc2ccccc12)c1cc(O)ccc1O 254545783 MFAKXHWJWULDMS-UHFFFAOYSA-N 476.330 5.230 50 10 JKGE CCC(C)(C)c1ccc(OCCCC(=O)NN=C(C)c2ccc(C#N)cc2)c(C(C)(C)CC)c1 254559853 KTHSWENTHHBCTA-UHFFFAOYSA-N 461.650 6.633 50 10 JKGE CCOc1ccc(OCc2ccc(C(=O)NN=CC(c3ccccc3)c3ccccc3)cc2)cc1 254591712 AOUHZUHIGFJOBD-UHFFFAOYSA-N 464.565 6.212 50 10 JKGE CC(C)(C)c1ccc(C=NNC(=O)CSc2nnc(-c3ccccc3)n2-c2ccccc2)cc1 254758682 LMOXVALZDISTMZ-UHFFFAOYSA-N 469.614 5.474 50 10 JKGE BrCc1c(I)sc2ccc(I)cc12 306821910 PPKPXHHYVKSMIR-UHFFFAOYSA-N 478.918 5.005 50 10 JKGE CC(C)(C)OC(=O)N1C[C@H](CBr)[C@H](c2cc(Br)cc(Br)c2)C1 382705979 FNEIFOIRZNBGQU-FZMZJTMJSA-N 498.053 5.557 50 10 JKGE ClCc1cc(Br)cc(Br)c1OCc1ccc(Br)s1 385687015 DGXGQWUDLJCHII-UHFFFAOYSA-N 475.427 6.353 50 10 JKGE C[C@@H](Cl)c1nc2cc(I)ccc2n1CC1(N(C)Cc2ccccc2)CCC1 386807933 CZCJPIBIOVTBGU-MRXNPFEDSA-N 493.820 5.995 50 10 JKGE CO[C@@H](CC(CBr)(CBr)c1ccc(Br)cc1)C(C)C 388977089 XOOLTKQOQKIYQL-AWEZNQCLSA-N 457.044 5.538 50 10 JKGE C[C@H](Cl)c1nc2cc(I)c(F)cc2n1[C@@H]1CN(Cc2ccccc2)C[C@H]1C 389868020 MSWXUYHAOBBNGS-LAPQFRIASA-N 497.783 5.773 50 10 JKGE C[C@H]1C[C@H](n2c(CCCl)nc3cc(I)c(F)cc32)CN1Cc1ccccc1 398227789 VMQALFFFVFARLQ-HOCLYGCPSA-N 497.783 5.397 50 10 JKGE C[C@@H](Cl)c1nc2cc(I)ccc2n1[C@H]1[C@@H]2CN(Cc3ccccc3)C[C@@H]21 398403072 CQHHSCFRXXCZOM-JPUXWFAOSA-N 477.777 5.244 50 10 JKGE Fc1cc([C@H](Br)c2cc(Cl)c(Cl)c(Cl)c2Cl)ccc1Br 404637629 AWNZLKGCVJYVQC-JTQLQIEISA-N 481.801 7.686 50 10 JKGE Brc1cscc1[C@H](Br)c1cc(I)cc2c1OCC2 404716054 QHDMHAAXHPAOOB-GFCCVEGCSA-N 499.993 5.534 50 10 JKGE O=C(CCC(=O)Nc1cccc(Br)c1)NN=Cc1c2ccccc2cc2ccccc12 1080086036 YWJLDHKXTHWXCL-UHFFFAOYSA-N 474.358 5.625 50 10 JKGE Cc1ccc(-n2c(C)c(Br)c(C=NNC(=O)[C@@H](C)SCc3ccccc3)c2C)cc1C 1083903952 FBWVCTFYDOHALN-HXUWFJFHSA-N 498.490 6.245 50 10 JKGE Cc1ccc(-c2ccccc2)n1-c1ccc(C(=O)NN=Cc2cc(Cl)cc([N+](=O)[O-])c2O)cc1 1084187575 LQTHJJVGOCLJSR-UHFFFAOYSA-N 474.904 5.484 50 10 JKGE Cc1cc(C)cc(-n2c(C)c(Br)c(C=NNC(=O)COc3ccccc3)c2C)c1 1084435888 IPPDKOBOWGXJLO-UHFFFAOYSA-N 454.368 5.003 50 10 JKGE COc1cc(/C=C(/C#N)C(=O)Nc2ccc(Cl)c(Cl)c2)ccc1OCc1cccc(Cl)c1 1084507705 RZDWZZDFXKPRKA-MFOYZWKCSA-N 487.770 6.780 50 10 JKGE CC(C)N(C)c1cc(Cl)cc(C(=O)N(NC(=O)Nc2cc(F)ccc2F)C(C)(C)C)c1 1088694260 DPACGUMZIIBNAD-UHFFFAOYSA-N 452.933 5.440 50 10 JKGE COc1ccc(N2C(=O)[C@@H](Cc3cccc(C)c3)S/C2=C(\C#N)C(=O)N[C@H](C)c2ccccc2)cc1 1614653198 TZGAHOWETQTCMD-WDJISFPHSA-N 497.620 5.307 50 10 JKGE Cc1occc1C(=O)NN=C1CCCc2oc(C(=O)Nc3cccc(Cl)c3Cl)c(C)c21 1772749072 JIFQUWPWYIZYDN-UHFFFAOYSA-N 460.317 5.519 50 10 JKGE CC(C)(C)c1ccc(S(=O)(=O)NNC(=O)c2ccc(-c3ccc4ccccc4c3)s2)cc1 1860405091 ANJPXNMUPBDFNL-UHFFFAOYSA-N 464.612 5.489 50 10 JKGE Cc1ccc(Cn2nc(C(F)(F)F)c3c2OC(N)=C(C#N)[C@@H]3c2ccc(C(C)(C)C)cc2)cc1 1865682384 NGQCTPANJLYFDC-FQEVSTJZSA-N 466.507 5.774 50 10 JKGE N#CC1=C(N)Oc2c(c(-c3ccccc3)nn2Cc2ccccc2Cl)[C@@H]1c1cccc(Cl)c1 1865683540 MEUUXSDNQUMNEG-JOCHJYFZSA-N 473.363 6.123 50 10 JKGE CCCc1nn(-c2ccc(Cl)cc2)c2c1[C@@H](c1c(Cl)cccc1Cl)C(C#N)=C(N)O2 1865686204 RZCUCZSVPOMHIZ-GOSISDBHSA-N 459.764 6.003 50 10 JKGE CCCCOc1ccc([C@@H]2C(C#N)=C(N)Oc3c2c(C)nn3Cc2cccc(F)c2)cc1OCC 1865687004 HGKRBIBYTUTGOD-RUZDIDTESA-N 476.552 5.175 50 10 JKGE CCCOc1ccc([C@@H]2C(C#N)=C(N)Oc3c2c(CCC)nn3-c2cccc3ccccc23)cc1 1865693665 LOFPZDLKJNOIPM-AREMUKBSSA-N 464.569 5.985 50 10 JKGE CCCCOc1ccc([C@@H]2C(C#N)=C(N)Oc3c2c(CC)nn3Cc2ccccc2F)cc1OC 1865697647 YRDCCDNGOZLUMM-XMMPIXPASA-N 476.552 5.039 50 10 JKGE N#CC1=C(N)Oc2c(c(-c3ccccc3)nn2-c2cccc(Cl)c2)[C@H]1c1c[nH]c2ccccc12 1865700394 RTBNVQOUVFGPQV-HSZRJFAPSA-N 463.928 5.892 50 10 JKGE Cc1ccccc1COc1ccc([C@@H]2C(C#N)=C(N)Oc3c2c(C)nn3Cc2ccc(Cl)cc2)cc1 1865702990 KEPUAKDBKLKWTC-HHHXNRCGSA-N 496.998 5.999 50 10 JKGE COc1cccc([C@H]2C(C#N)=C(N)Oc3c2c(C)nn3Cc2ccccc2)c1OCc1cccc(C)c1 1865705073 LGZMUYWASSIKOE-MHZLTWQESA-N 492.579 5.354 50 10 JKGE CCc1ccc([C@H]2C(C#N)=C(N)Oc3c2c(-c2ccccc2)nn3Cc2ccccc2Cl)cc1 1865709662 ZHLYTBSQIMKJSH-DEOSSOPVSA-N 466.972 6.032 50 10 JKGE COc1ccc(-c2nn(Cc3cccc(Cl)c3)c3c2[C@@H](c2ccccc2C)C(C#N)=C(N)O3)cc1 1865712874 KCQNUTUDTAFDBF-DEOSSOPVSA-N 482.971 5.787 50 10 JKGE CN1CCN(c2cc(Nc3ccc(SC#N)cc3)nc(-c3ccc(F)cc3)n2)C[C@@H]1c1ccccc1 1868457029 XLXDYUSZKBSPJR-RUZDIDTESA-N 496.615 6.093 50 10 JKGE O=C1/C(=C/c2cc(Cl)cc3c2OCOC3)Oc2cc(OCc3cccc(CCl)c3)ccc21 1871437086 HZJZMTZNIARPDH-AQHIEDMUSA-N 469.320 6.141 50 10 JKGE COc1cccc(/C=C(\C#N)c2nc3ccc(C)cc3[nH]2)c1OCc1ccc(Br)cc1 1872727795 AJEPUABDYOVMSX-CPNJWEJPSA-N 474.358 6.286 50 10 JKGE COc1cccc(/C=C(\C#N)c2cc3c(cc2[N+](=O)[O-])OCCO3)c1OCc1ccc(F)cc1 1872728848 XSDFAQHIBXSZFI-WOJGMQOQSA-N 462.433 5.157 50 10 JKGE CCCCc1ccc(-c2csc(/C(C#N)=C(\O)CCCN3C(=O)c4ccccc4C3=O)n2)cc1 1872744920 ORHRUNLRJHQWHX-GYHWCHFESA-N 471.582 6.022 50 10 JKGE CCCOc1ccc(-c2csc(/C(C#N)=C(\O)[C@@H]3CC(=O)N([C@H](C)c4ccccc4)C3)n2)cc1 1872749262 IWTQISBZRQEETD-JAKGFCRGSA-N 473.598 6.001 50 10 JKGE CCc1cccc(CC)c1N1C(=O)c2ccc(/C(O)=C(\C#N)c3nc(C(C)C)cs3)cc2C1=O 1872750410 IMIGKLNJRZTQAH-FLFQWRMESA-N 471.582 6.142 50 10 JKGE CC(C)c1ccc(-c2csc(/C(C#N)=C(\O)[C@H](C)Oc3ccc(Cl)cc3Cl)n2)cc1 1872751939 IEIOSUGAZNIGOC-RJHYDAJSSA-N 459.398 7.500 50 10 JKGE COc1cc(/C=C/C(O)=C(\C#N)c2nc(-c3c[nH]c4ccccc34)cs2)ccc1OC(C)=O 1872753190 LFCFBAGBYTXULJ-FIPXSVCYSA-N 457.511 5.731 50 10 JKGE COc1cc(OC)c(-c2csc(/C(C#N)=C(\O)COc3ccc(Cl)cc3)n2)cc1Cl 1872756533 OJPRLRZPRRDORD-SDXDJHTJSA-N 463.342 6.006 50 10 JKGE COc1cc(/C=C/C(O)=C(\C#N)c2nc(-c3cc(Cl)cc(C)c3OC)cs2)cc(OC)c1OC 1872756933 IIKWOIYVMJZMOC-VMNLIQOHSA-N 498.988 6.312 50 10 JKGE COc1ccc(-c2csc(/C(C#N)=C/c3ccc(OCc4ccccc4Cl)cc3)n2)cc1 1872780792 LKKCWPKVHJODOC-KGENOOAVSA-N 458.970 7.115 50 10 JKGE N#C/C(=C\c1cccc(OCc2ccccc2)c1)c1nc(-c2ccc(-c3ccccc3)cc2)cs1 1872782983 ZTYYXUVSWIENHC-MTDXEUNCSA-N 470.597 8.120 50 10 JKGE CCCCOc1c(Br)cc(/C=C(\C#N)c2nc(-c3cc(C)ccc3C)cs2)cc1OC 1872790965 OAQJOKJGBOHWIJ-YBFXNURJSA-N 497.458 7.441 50 10 JKGE N#C/C(=C\c1cccc(OCc2ccccc2)c1)c1nc(-c2ccc(Oc3ccccc3)cc2)cs1 1872793093 HXSPUGWDJIVPIB-NLRVBDNBSA-N 486.596 8.246 50 10 JKGE COc1cc(/C=C(\C#N)c2nc(-c3ccc(Cl)s3)cs2)cc(Br)c1O 1872794445 BQOFIXONMDOYLY-ONNFQVAWSA-N 453.770 6.066 50 10 JKGE CC[C@@H](C)[C@@H](/C(O)=C(\C#N)c1nc(-c2cc(C)ccc2OC)cs1)N1C(=O)c2ccccc2C1=O 1873921031 QOMFFHUYPHXZEX-LLKHUAJVSA-N 487.581 5.631 50 10 JKGE Cc1scc([C@H](Cl)c2sc(Br)cc2Br)c1Br 1902875699 IMLSIITWZCZRMI-VIFPVBQESA-N 465.457 6.734 50 10 JKGE Cl[C@@H](c1cc(Br)sn1)c1sc(Br)cc1Br 1909888872 ITJPRPKHKKNJBO-ZETCQYMHSA-N 452.418 5.820 50 10 JKGE C[C@H](Cl)CN(Cc1ccccc1)S(=O)(=O)c1cc(Br)ccc1Br 1914663993 ODAGZOPTMCDYFC-LBPRGKRZSA-N 481.637 5.030 50 10 JKGE CC[C@@H](Br)CN(Cc1ccccc1)C(=O)c1cc(Cl)c(C)cc1Br 1915090295 JOOGHGAKDWCWNZ-OAHLLOKOSA-N 473.636 6.227 50 10 JKGE CCCCCCCCC[C@H](Br)c1c(Br)sc(Br)c1Cl 1923067885 JYMOCWNTDLVDKA-JTQLQIEISA-N 495.546 8.503 50 10 JKGE Fc1cccc(F)c1[C@H](Cl)c1c(Br)sc(Br)c1Br 1924590186 HWVYTVYOZDGXGR-VIFPVBQESA-N 481.381 6.642 50 10 JKGE C[C@H](C1CCC1)[C@H](Br)c1c(Br)sc(Br)c1Br 1924607934 AYHNZEUWXBLYDL-XRGYYRRGSA-N 495.900 6.908 50 10 JKGE CCN(c1cc(Br)ccc1CBr)C1CCN(Cc2ccccc2)CC1 2027092436 SKXDURUSFQJOHO-UHFFFAOYSA-N 466.261 5.835 50 10 JKGE COc1ccc(C=C(C#N)c2nc3ccccc3s2)cc1OC(=O)c1cccc2ccccc12 2053497403 IOKXBDGWRULHKR-UHFFFAOYSA-N 462.530 6.741 50 10 JKGE Fc1cccc([C@H](CBr)Cc2cccc(Br)c2Br)c1 2092336323 WPPSRUWSBAWPFE-LBPRGKRZSA-N 450.971 6.072 50 10 JKGE Fc1cc(Cl)c(Br)cc1[C@H](Cl)Cc1ccccc1I 2097825701 YIPZAVTWLJJPIJ-LLVKDONJSA-N 473.938 6.369 50 10 JKGE Fc1ccc([C@@H](Cl)c2cc(Br)c(Cl)cc2F)c(I)c1 2097835333 RGRPGHKYYCTMOG-CYBMUJFWSA-N 477.901 6.314 50 10 JKGE C[C@@H]1OC2(COc3c(Br)cc(CBr)cc3Br)CC1C2 2132483895 IOLJPQNALGUWSS-BQDOLQKVSA-N 454.984 5.053 50 10 JKGE CCCN[C@H](c1c(C)c(Br)cc(C)c1Br)[C@@H]1C[C@H]1Br 2136365189 VQVLWPGNYJNQEE-HCKVZZMMSA-N 454.044 5.653 50 10 JKGE COc1cscc1[C@H](Br)c1c(C)c(Br)cc(C)c1Br 2136371851 QENAFPTZPHHPEG-AWEZNQCLSA-N 469.036 6.383 50 10 JKGE Cc1cc(Br)c(C)c([C@H](Br)[C@@H]2C[C@@H]2C2CCC2)c1Br 2136382593 UDCLCCXIXXEDTG-XHBSWPGZSA-N 451.040 6.701 50 10 JKGE COc1cc(F)c(Br)cc1[C@@H](Cl)Cc1ccccc1I 2143867341 AUKTVFHUVSFSFU-LBPRGKRZSA-N 469.519 5.724 50 10 JKGE CC(C)(CCOc1c(Br)cc(CBr)cc1Br)C(F)(F)F 2150408447 OXSJGXACJOMKCO-UHFFFAOYSA-N 482.960 6.464 50 10 JKGE ClCCc1nc2cc(Cl)c(Br)cc2n1C1CCN(Cc2ccccc2)CC1 2169015085 IAGYZIRNFJSJKP-UHFFFAOYSA-N 467.238 6.071 50 10 JKGE C[C@H](c1cccs1)N(Cc1ccccc1)S(=O)(=O)c1ccc(CBr)c(Cl)c1 2179776529 VMLKDKDXWYSTPI-OAHLLOKOSA-N 484.868 6.249 50 10 JKGE CCCOc1ccc(S(=O)(=O)N(Cc2ccccc2)C2CCC2)cc1CBr 2179827924 KMLDYYSZINLQNA-UHFFFAOYSA-N 452.414 5.114 50 10 JKGE CCCC(CBr)(CCC)CN1CCN(C(=O)OC(C)(C)C)C[C@H]1CC(F)F 2183412092 ZGNGBXAUXCWSIG-MRXNPFEDSA-N 455.428 5.544 50 10 JKGE C[C@@H]1C[C@H](n2c(CCl)nc3cc(Br)c(Cl)cc32)CN(Cc2ccccc2)C1 2184259791 CZZNXUCZAOTNGL-ZBFHGGJFSA-N 467.238 6.274 50 10 JKGE Cc1ncnc(C)c1COc1c(Br)cc(Br)cc1CBr 2187485715 ZNINUPOPKCBGTH-UHFFFAOYSA-N 464.983 5.092 50 10 JKGE CCc1cccnc1COc1c(Br)cc(Br)cc1CBr 2193296735 BFXRKZKAHQNKER-UHFFFAOYSA-N 463.995 5.643 50 10 JKGE Cc1cc(Br)c(C)c([C@H](Br)[C@H]2CCCCC23CC3)c1Br 2201075766 DEXQMGDWPUBXTK-MLGOLLRUSA-N 465.067 7.235 50 10 JKGE Cc1cc(Br)c(C)c([C@H](Br)[C@@H]2[C@H]3CCC(F)(F)[C@H]32)c1Br 2201076609 GAOYAQJFDWHGHP-PBFTVQBMSA-N 472.993 6.556 50 10 JKGE CCO[C@@H]1CC[C@H]([C@H](Br)c2c(C)c(Br)cc(C)c2Br)C1 2201079117 QSBGVJJWVJFKKT-OZVIIMIRSA-N 469.055 6.470 50 10 JKGE Cc1cc2nc([C@H](C)Cl)n(CC3(N(Cc4ccccc4)Cc4ccccc4)COC3)c2cc1Cl 2206560742 UHTJSVCLXUQSRA-NRFANRHFSA-N 494.466 6.769 50 10 JKGE O=C(c1cc(Br)ccc1Br)N1CCCC[C@@H]1CCCBr 2206675993 YKKXZPCVAOQEFY-GFCCVEGCSA-N 468.027 5.381 50 10 JKGE CC[C@@H](Br)CN(Cc1ccccc1)C(=O)Cc1ccc(Br)cc1Cl 2215854459 REZJCKCCGNCBJC-MRXNPFEDSA-N 473.636 5.847 50 10 JKGE Cc1sc(Br)c(C)c1[C@H](Br)c1cc(Cl)cc(Br)c1 2218800874 OJQABWWIUOLHIE-GFCCVEGCSA-N 473.455 7.028 50 10 JKGE CCOCc1cc(Br)c([C@H](Br)c2cc(Br)c(C)s2)s1 2226087393 CELVHSDCLPMLQS-GFCCVEGCSA-N 489.092 6.664 50 10 JKGE Cc1cc(Br)c([C@H](Br)c2nn(C)c(Cl)c2Cl)c(C)c1Cl 2232510350 MJJOJOPJNFLDND-VIFPVBQESA-N 461.412 6.244 50 10 JKGE COc1c(Br)cc(C)cc1[C@H](Br)c1sc(C)c(Br)c1C 2234463658 HWJRZZQBJSZOFR-ZDUSSCGKSA-N 483.063 6.691 50 10 JKGE O=C(Nc1ccccc1CCCl)c1cc(Br)ccc1I 2238843477 KHNLAPZJCPITQX-UHFFFAOYSA-N 464.528 5.087 50 10 JKGE FC(F)(F)Oc1ccc(Cl)cc1[C@H](Br)c1cscc1Br 2239618662 SRPYQZJKISYWCH-NSHDSACASA-N 450.501 6.547 50 10 JKGE C[C@]1([C@@H](Br)c2c(F)cc(Br)c(F)c2Br)CC1(F)F 2260014212 OPYGLMIBTHAFNA-VHSXEESVSA-N 454.881 5.971 50 10 JKGE CS(=O)(=O)c1cscc1[C@H](Cl)c1cc(Br)c(Br)s1 2260097054 WGFSSSBVYLCESH-VIFPVBQESA-N 450.626 5.066 50 10 JKGE FC1(F)C[C@]12CC[C@@H]([C@H](Br)Cc1cc(Br)cc(Br)c1)C2 2295329462 IUDTZAZHAADALR-LERXQTSPSA-N 472.993 6.343 50 10 JKGE COc1cc(F)cc([C@H](Br)Cc2cc(Br)cc(Br)c2)c1 2295334501 XIHNSTPFEBELLS-OAHLLOKOSA-N 466.970 6.038 50 10 JKGE COc1cc(NC=C(C#N)c2nc(-c3ccc(CC(C)C)cc3)cs2)c(C(C)=O)cc1OC 2295956280 VASAKISLVSVWGT-UHFFFAOYSA-N 461.587 6.205 50 10 JKGE Cc1ccc(C[C@H]2SC(=C(C#N)C(=O)Nc3cccc(Cl)c3)N(c3ccccc3)C2=O)cc1 2296507217 YSRYQYXAAXMSHR-HSZRJFAPSA-N 473.985 5.713 50 10 JKGE N#CC(=Cc1cn(-c2ccccc2)nc1-c1ccc2ccccc2c1)C(=O)NCc1cccnc1 2296729330 ASBYKEPGCJBIGA-UHFFFAOYSA-N 455.521 5.311 50 10 JKGE Cc1cccn2c(C=C(C#N)C(=O)Nc3cccc(Br)c3)c(-c3ccccc3)nc12 2296791894 PFSZYJVODQGXSM-UHFFFAOYSA-N 457.331 5.618 50 10 JKGE CC[C@H](C)C[C@@H](Br)c1c(Cl)cc(Br)c(F)c1Br 2300179000 OEECXJPIBAQNHU-NKWVEPMBSA-N 451.399 6.876 50 10 JKGE CC(C)C[C@H](CBr)COc1cc(Br)cc(I)c1 2308067164 QKBHZTQZQOGLHS-SNVBAGLBSA-N 475.990 5.490 50 10 JKGE C[C@@H](NC(=O)C(C#N)=Cc1cc(Br)ccc1OCc1ccc(Cl)cc1)c1ccccc1 2313676622 LGMDUKMIHJKZEB-QGZVFWFLSA-N 495.804 6.466 50 10 JKGE CCOc1cc(C=C(C#N)C(=O)Nc2ccc(C)c(C)c2)ccc1OCc1ccc(Cl)cc1 2313730424 SYPKYMLSFBWQKC-UHFFFAOYSA-N 460.961 6.480 50 10 JKGE COc1cc(C=C(C#N)C(=O)Nc2cccc3ccccc23)ccc1OCc1ccccc1F 2313738804 QFTVWEBRAIYSNR-UHFFFAOYSA-N 452.485 6.112 50 10 JKGE Fc1cc(Br)c(Br)cc1[C@H](Br)C[C@H]1CCC1(F)F 2313815941 IOAYBHFCZQOSKP-HTRCEHHLSA-N 450.918 6.222 50 10 JKGE Fc1cc(Br)c(Br)cc1[C@@H](Br)C[C@H]1CCC1(F)F 2313815943 IOAYBHFCZQOSKP-SVRRBLITSA-N 450.918 6.222 50 10 JKGE C[C@@H]1O[C@@]2([C@H](Br)c3cc(Br)ccc3OCc3ccccc3)CC[C@H]1C2 2314445898 QSZOZPWCWDDJOE-XCODNNPBSA-N 466.213 6.422 50 10 JKGE N#CC(=C(O)c1ccc(-c2ccc([N+](=O)[O-])cc2Cl)o1)c1nc(-c2ccc(Cl)cc2)cs1 2314457756 XDQFKEIAIQSCIU-UHFFFAOYSA-N 484.320 7.235 50 10 JKGE C=CCNC(=O)C(C#N)=C1S[C@H](Cc2ccc(CCCC)cc2)C(=O)N1c1ccc(C)c(C)c1 2314592739 AXCQPIXMBUOMFN-RUZDIDTESA-N 473.642 5.375 50 10 JKGE CCCOc1ccccc1C=C(C#N)C(=O)Nc1scc(-c2ccc(F)cc2)c1C(=O)OCC 2314717384 LQRZKATUDIRIOH-UHFFFAOYSA-N 478.545 6.065 50 10 JKGE Cn1nc(Br)c(Br)c1[C@H](Br)c1cc2sccc2s1 2316837925 OEIRIWYJLIYWHZ-MRVPVSSYSA-N 471.037 5.706 50 10 JKGE CCN(C[C@](C)(CI)OC[C@@H]1CC[C@H]1C(C)(C)C)C(=O)OC(C)(C)C 2320189603 OMOKRZDENVMCRG-YRNRMSPPSA-N 467.432 5.526 50 10 JKGE BrC[C@H](Cc1ccc(I)c(Br)c1)c1ccccc1 2325217328 CWGBITXVXAOYHU-ZDUSSCGKSA-N 479.981 5.775 50 10 JKGE Brc1cc(CC[C@H](Br)C[C@@H]2CCCO2)ccc1I 2325224505 XVJPJDCNSVUJNH-RYUDHWBXSA-N 488.001 5.319 50 10 JKGE Cc1cccc(C)c1N1C(=O)c2ccc(NC(=O)C(C#N)=Cc3ccc(Cl)cc3)cc2C1=O 2329652748 BTITWLNEOYJLFR-UHFFFAOYSA-N 455.901 5.303 50 10 JKGE COC(=O)c1c(NC(=O)C(C#N)=Cc2ccc(OC)c(OC)c2)sc2c1CC[C@H](C(C)(C)C)C2 2329703327 AQRKFLSZAXTISM-KRWDZBQOSA-N 482.602 5.249 50 10 JKGE N#CC(=Cc1ccc(OCc2ccc(Br)cc2)cc1)c1nc(O)c2ccccc2n1 2331030113 UNJZKHRBUPRJJQ-UHFFFAOYSA-N 458.315 5.741 50 10 JKGE Cc1cc(-c2csc(C(C#N)=C(O)CN3C(=O)c4ccc(Br)cc4C3=O)n2)ccc1F 2331322568 MZTBDKJBIYCTOE-UHFFFAOYSA-N 498.333 5.109 50 10 JKGE CCOc1ccc(OCC)c(-c2csc(C(C#N)=C(O)Cc3cc(Cl)ccc3Cl)n2)c1 2331376353 ZHIQLLNAJMFYEY-UHFFFAOYSA-N 475.397 6.950 50 10 JKGE CCOc1ccc(-c2csc(C(C#N)=C(O)COc3ccc(C)c(C)c3)n2)c(OCC)c1 2331386574 OHIVGMNRYDEBQJ-UHFFFAOYSA-N 450.560 6.096 50 10 JKGE COc1cc(Cl)c(C)cc1-c1csc(C(C#N)=C(O)CCCN2C(=O)c3ccccc3C2=O)n1 2331390609 SIKUMLGKXAUCSU-UHFFFAOYSA-N 493.972 5.650 50 10 JKGE COc1c(C)cc(Cl)cc1-c1csc(C(C#N)=C(O)c2ccc(N(C)C)c([N+](=O)[O-])c2)n1 2331393645 ABBYUSPQQVPSCA-UHFFFAOYSA-N 470.938 5.705 50 10 JKGE FC1(F)[C@@H]2CC[C@H]([C@@H](Br)c3cc(Br)ccc3OCc3ccccc3)C[C@H]21 2336076674 BBDONBQTPIAMCS-LMVHDODDSA-N 486.194 7.146 50 10 JKGE Cc1c(Cl)cc([C@H](Br)c2c(Cl)sc(Cl)c2C)cc1Br 2336101229 NENXJNMWMPFOQV-NSHDSACASA-N 463.449 7.572 50 10 JKGE Fc1c(Br)cc(Cl)c([C@@H](Cl)c2cc(Cl)sc2Cl)c1Br 2337081711 BJCRTFRLXOKGHK-VIFPVBQESA-N 487.830 7.701 50 10 JKGE Clc1cc(I)c([C@@H](Br)[C@H]2C[C@@H]3CCCCCC[C@@H]32)s1 2338560446 LIUUQCFMSPBVGX-RMIALFOJSA-N 473.645 7.049 50 10 JKGE Cc1cc(Br)c(F)c(Br)c1[C@H](Br)[C@@H]1CCCC[C@H]1C 2339680160 TYMSHWRJGYSWGX-ZDSQKVDBSA-N 457.019 6.921 50 10 JKGE CC[C@@]1([C@H](Br)c2c(C)cc(Br)c(OC)c2Br)CCCO1 2365183112 GNMGKMCUVKUCRG-CABCVRRESA-N 471.027 5.924 50 10 JKGE Cc1ccc([C@@H](Br)c2c(C)cc(Br)c(F)c2Br)cc1Cl 2365184197 CVPFVUDAVMQJIT-CYBMUJFWSA-N 485.416 7.105 50 10 JKGE Clc1ccc([C@@H](Cl)c2cc(Br)c3c(c2)CCO3)c(I)c1 2365599669 XEUVMKUHAKWPPY-AWEZNQCLSA-N 483.958 5.970 50 10 JKGE Fc1ccccc1[C@H](CBr)OCc1c(Br)cccc1Br 2366145870 YXPLQYNNZXOGOH-HNNXBMFYSA-N 466.970 6.004 50 10 JKGE COc1cc(Br)c(OCC2(CBr)CC(C)(C)C2)cc1Br 2371101980 RBFVUUWWJXXHAU-UHFFFAOYSA-N 471.027 5.800 50 10 JKGE CC[C@H](Oc1ccc(-c2ccccc2)cc1)C(=O)NNC(=O)[C@@H](C)Oc1ccc(Cl)cc1Cl 14768611 XQMQTHPUTYIWDH-ZHRRBRCNSA-N 487.383 5.433 50 10 JKGE O=C(C=C(Sc1ccccc1)Sc1ccccc1)NN=C(Cc1ccccc1)Cc1ccccc1 20827046 RQLGOIDOODBKAG-UHFFFAOYSA-N 494.685 7.370 50 10 JKGE Cc1nn(-c2ccccc2)c2c1[C@@H](c1ccc(-c3nc4ccccc4s3)o1)C(C#N)=C(N)O2 33413165 DJTMTJYXCGVUOV-JOCHJYFZSA-N 451.511 5.269 50 10 JKGE Cc1cc(/C=C(/C#N)C(=O)NCc2ccc(Cl)cc2)c(C)n1-c1ccc(Br)cc1 33675935 XZRKITRBNLIIFD-UNOMPAQXSA-N 468.782 5.733 50 10 JKGE Cc1cc(Br)cc(C)c1OCC(=O)N/N=C\c1c2ccccc2cc2ccccc12 33708968 PWPAHMXCGYNTFS-VYYCAZPPSA-N 461.359 5.901 50 10 JKGE C[C@@H]1CCCC[C@@H]1NC(=O)/C(C#N)=C\c1ccc(OCc2ccccc2)c(Br)c1 34798804 VQPNGUTWDSRJRT-HANFFWSCSA-N 453.380 5.630 50 10 JKGE CCNC(=O)/C(C#N)=C\c1cn(-c2ccccc2)nc1-c1cccc(OCc2ccc(C)cc2)c1 35446143 WQDBFKZOIKRZRJ-JLPGSUDCSA-N 462.553 5.470 50 10 JKGE COc1ccc(-c2nn(-c3ccccc3)cc2/C=C(/C#N)C(=O)Nc2ccc(C(C)C)cc2)cc1 35518860 VVECRUFQTYKOAU-QJOMJCCJSA-N 462.553 6.217 50 10 JKGE CC/C(=N/NC(=O)c1cc(-c2ccc(C)c(C)c2)nc2ccccc12)C12CC3CC(CC(C3)C1)C2 36145516 OQSXFUJHFGYAGS-IYOYZZHUSA-N 465.641 7.231 50 10 JKGE COc1ccccc1C(=O)Oc1ccc2c(c1)OC(N)=C(C#N)[C@H]2c1ccc(Cl)c(Cl)c1 38655680 HJVHFXHBVYDVQL-QFIPXVFZSA-N 467.308 5.439 50 10 JKGE CCc1ccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)COc4c(C)cccc4C)ccc32)cc1 38677170 XEHGKRMNVKGGKW-AREMUKBSSA-N 454.526 5.068 50 10 JKGE CCOc1ccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4cccc(Cl)c4)ccc32)cc1OCC 38679362 OKESAPMNQMQPGB-VWLOTQADSA-N 490.943 5.575 50 10 JKGE COc1cc(/C=N/NC(=O)c2ccc(C(C)(C)C)cc2)ccc1OC(=O)/C=C/c1ccccc1 48573321 KAJLNEYGEXJPLB-XUEJWRRISA-N 456.542 5.375 50 10 JKGE COc1cc(/C=N\NC(=O)CC[C@@H](O)c2ccccc2)ccc1OCc1ccc2ccccc2c1 58889724 LRONVHQQXSUCSG-KAECXJSPSA-N 468.553 5.391 50 10 JKGE COc1cccc(/C(CSc2nc3ccccc3s2)=N\NC(=O)c2cccc(Cl)c2)c1 59460690 SORCIECOMBOCPQ-QOMWVZHYSA-N 468.003 5.885 50 10 JKGE CC(C)(C)[C@@H]1CC2=C(OC(N)=C(C#N)[C@H]2c2ccccc2Cl)/C(=C\c2ccccc2Cl)C1 98064679 DCDCHBSBVCLMAN-MTPJMYDCSA-N 465.424 7.595 50 10 JKGE CC1=C(C#N)C(=O)N(Cc2ccccc2Cl)C(=O)/C1=C/c1ccc(OCc2ccccc2F)cc1 101340904 NQOZUGVWFCHLQY-OEAKJJBVSA-N 486.930 5.851 50 10 JKGE COc1cc(/C=C(/C#N)c2cccc(Br)c2)c(Br)cc1OCc1ccccc1 101409173 HLGJDAMGYSJRPR-GRSHGNNSSA-N 499.202 6.863 50 10 JKGE Clc1cc(Cl)cc([C@H](Br)c2cc(Br)sc2Br)c1 104034756 RXELPWCXUBQZDU-JTQLQIEISA-N 479.846 7.064 50 10 JKGE COc1ccc([C@H](Br)c2cc(Br)c(C)cc2OC)cc1Br 115867041 SJVHHXPYBYMIPN-INIZCTEOSA-N 479.006 6.022 50 10 JKGE Cc1cc(Br)c([C@@H](Br)c2csc3ccccc23)cc1Br 128798263 GBTBZVWNDROLOA-MRXNPFEDSA-N 475.043 7.219 50 10 JKGE Cc1cc(Br)c([C@@H](Br)C(F)(F)C(F)(F)F)cc1Br 128842477 KUISEUZJPAPELN-MRVPVSSYSA-N 460.860 6.154 50 10 JKGE CC1(C)C(=O)Nc2ccc([C@@H](Br)c3ccc(I)cc3)cc21 157622240 ARZIXBLCWJYHFZ-HNNXBMFYSA-N 456.121 5.005 50 10 JKGE COc1cc(/C=N/NC(=O)c2ccccc2OC)ccc1OCc1ccc(Cl)c(Cl)c1 169878148 MZACXHYBYYHVLW-LGJNPRDNSA-N 459.329 5.354 50 10 JKGE CCOc1ccc(/C=C(/C#N)C(=O)N(c2cc(C)ccc2C)S(=O)(=O)c2ccccc2)cc1OC 207131311 HPKDSTQDYPFHLT-JWGURIENSA-N 490.581 5.040 50 10 JKGE Fc1ccc([C@@H](Br)c2cc(Br)c(Br)s2)cc1Cl 212966703 NSFANKVIMPSNQN-SNVBAGLBSA-N 463.391 6.550 50 10 JKGE N#C/C(=C/Nc1ccc(Br)cn1)C(=O)Nc1ccccc1Sc1ccccc1 217244086 DEORZWRCIPCSJB-SQFISAMPSA-N 451.349 5.453 50 10 JKGE Cc1cc([C@@H](Cl)c2ccc(I)c(Cl)c2)c(C)cc1Br 232344077 NTOOQAPGQUNQJC-HNNXBMFYSA-N 469.975 6.652 50 10 JKGE Cc1cc(Br)c([C@@H](Cl)c2cc(Cl)ccc2I)s1 235814208 PUDBNRRHIHLPNG-NSHDSACASA-N 461.977 6.405 50 10 JKGE CCCCCOc1ccc(CN2C(=O)C(=NNC(=O)COc3ccc(C)cc3)c3ccccc32)cc1 245266525 JUDUZELSEPSUJG-UHFFFAOYSA-N 485.584 5.010 50 10 JKGE Cc1ccc(Cn2c(SCC(=O)NN=Cc3ccc(C(C)C)cc3)nc3ccccc32)cc1 254768754 CMXOUUAMJDCCQI-UHFFFAOYSA-N 456.615 5.759 50 10 JKGE CC1(C)[C@H](c2nc3ccccc3[nH]2)CC[C@]1(C)C(=O)NN=Cc1ccc(Br)cc1 254825525 KOYLXBQSRCOEFD-GAJHUEQPSA-N 453.384 5.386 50 10 JKGE Brc1cc2c(cc1[C@@H](Br)c1cccc(OCc3ccccc3)c1)OCCO2 383768140 QBYIWXYJHOYBAW-QFIPXVFZSA-N 490.191 6.284 50 10 JKGE COc1cc([C@@H]2CN(C(=O)OCc3ccccc3)C[C@H]2CI)ccc1Cl 394797957 RGWVGOGXSAQROY-SJORKVTESA-N 485.749 5.136 50 10 JKGE CC(=O)O[C@@H]1CC[C@]2(C)[C@H]3CC[C@]4(C)C(=O)CC[C@H]4[C@@H]3C[C@@H](Br)[C@@]2(Br)C1 605694089 GJUBXVMRZCCIPH-BLVMAWABSA-N 490.276 5.421 50 10 JKGE in-vitro Fc1ccc2nc(CCl)n(C[C@H]3CCCN(Cc4ccccc4)C3)c2c1Br 689793472 MDDNMEDNWFWUCD-INIZCTEOSA-N 450.783 5.589 50 10 JKGE C[C@@H]1CCCN(C(=O)c2cc(Br)cc(Br)c2)[C@@H]1CCBr 697202305 XOGCPDLCKYHNSE-QMTHXVAHSA-N 468.027 5.237 50 10 JKGE Cl[C@@H](Cc1ccc(Br)cc1)c1scc(Br)c1Br 705505212 OGAQUPNTTIWBQI-JTQLQIEISA-N 459.428 6.558 50 10 JKGE Cc1ccc(C[C@H](Br)c2scc(Br)c2Br)cc1C 707791476 SDPSSGZEFPGQCL-NSHDSACASA-N 453.037 6.569 50 10 JKGE CC1(C)C[C@H]([C@@H](Br)c2cc(Br)c(Br)s2)C(C)(C)O1 710053864 LKTWPGWAEBHAHM-GMSGAONNSA-N 461.057 6.303 50 10 JKGE FC(F)(F)OCCCOc1c(Br)cc(CBr)cc1Br 713429267 XTHKZNJJKBWNIS-UHFFFAOYSA-N 470.905 5.412 50 10 JKGE Fc1cc(CC(CBr)(CBr)C2CCOCC2)ccc1Br 722032591 VSVQKAIOZLVJJM-UHFFFAOYSA-N 473.018 5.334 50 10 JKGE CCN(CC)c1ccc(-n2c(C)cc(/C=C(\C#N)C(=O)N3CCN(c4ccccc4)CC3)c2C)cc1 1083885896 IZJAGJJNMFJAGP-YYADALCUSA-N 481.644 5.196 50 10 JKGE CCOc1cc(C=NNC(=O)CC[C@@H](O)c2ccccc2)cc(Cl)c1OCc1ccc(F)cc1 1083900007 QOEAQTZWJWFNDG-HSZRJFAPSA-N 484.955 5.421 50 10 JKGE CCOc1ccc([C@@H](O)CCC(=O)NN=Cc2ccc(-c3ccc(C)cc3Br)o2)cc1 1084004742 DAVGVOSZHGLRMC-QFIPXVFZSA-N 485.378 5.380 50 10 JKGE CCOc1cc(/C=C(/C#N)C(=O)Nc2ccc(C)c(C)c2)ccc1OCc1ccccc1Cl 1084304086 UZPRMNLZOIUGEJ-HMAPJEAMSA-N 460.961 6.480 50 10 JKGE Cc1cccc(C(=O)Nc2ccc(C(=O)NN=Cc3cccc(OCc4ccccc4)c3)cc2)c1 1084494740 DSVCVCSDYFZQPL-UHFFFAOYSA-N 463.537 5.590 50 10 JKGE COc1cc(C=NNC(=O)CSc2nc3ccccc3s2)ccc1OCCc1ccccc1 1772760453 NSINCMOKGNAPIB-UHFFFAOYSA-N 477.611 5.169 50 10 JKGE N#CSc1ccc(NC(=O)Nc2ncccc2OCC(=O)Nc2ccccc2C(F)(F)F)cc1 1858832865 RJWJSDXBNOACHG-UHFFFAOYSA-N 487.463 5.335 50 10 JKGE Cc1cc(C(=O)NCc2ccc(OC(=O)Nc3ccc(SC#N)cc3)cc2)ccc1N(C)C 1858910580 LCCLHSQLVQXWJY-UHFFFAOYSA-N 460.559 5.175 50 10 JKGE Cc1ccc(Cn2nc(-c3ccccc3)c3c2OC(N)=C(C#N)[C@H]3c2ccc(Cl)c(Cl)c2)cc1 1865685058 DGZOJKMPLCTOBL-HSZRJFAPSA-N 487.390 6.432 50 10 JKGE CCCc1nn(-c2ccc(Cl)c(Cl)c2)c2c1[C@H](c1ccccc1Cl)C(C#N)=C(N)O2 1865686562 XPQMXIWQTNTOSD-LJQANCHMSA-N 459.764 6.003 50 10 JKGE Cn1nc(-c2ccccc2)c2c1OC(N)=C(C#N)[C@@H]2c1ccccc1OCc1ccc(Cl)cc1 1865700891 HBDAKMYDJPTBSM-QHCPKHFHSA-N 468.944 5.538 50 10 JKGE CCCc1nn(Cc2ccc(Cl)c(Cl)c2)c2c1[C@H](c1ccc([N+](=O)[O-])cc1)C(C#N)=C(N)O2 1865712943 MRVKFUWDWXTCOP-HXUWFJFHSA-N 484.343 5.317 50 10 JKGE CCOC(=O)c1c(NC(=O)/C(C#N)=C/c2ccc(OC)cc2)sc(C(=O)Nc2ccccc2)c1C 1866126527 XKRFBSOJKXMTQT-NBVRZTHBSA-N 489.553 5.040 50 10 JKGE CCOc1cc(/C=C(\C#N)c2nc(O)c3ccc(C(=O)OC)cc3n2)ccc1OCc1ccccc1C 1872728543 IGPDEPOUCVAFSN-LPYMAVHISA-N 495.535 5.472 50 10 JKGE COc1ccc(-c2csc(/C(C#N)=C(\O)COc3cc(C)c(Cl)c(C)c3)n2)cc1OC 1872745355 JFNIDDIDEZADRU-ZPHPHTNESA-N 456.951 5.969 50 10 JKGE Cc1cc(-c2csc(/C(C#N)=C(\O)[C@H](C(C)C)N3C(=O)c4ccccc4C3=O)n2)ccc1F 1872749727 FMVBWSHIEBIWCA-UEBMVEOSSA-N 461.518 5.371 50 10 JKGE COc1c(Cl)cc(-c2csc(/C(C#N)=C(\O)c3ccc(NS(C)(=O)=O)cc3)n2)cc1Cl 1872755733 CHDLOSFFDQKRES-JXAWBTAJSA-N 496.397 5.447 50 10 JKGE COc1cc(C)c(-c2csc(/C(C#N)=C(\O)c3ccc4c(c3)C(=O)N(C(C)C)C4=O)n2)cc1C 1872758020 HXKGEGAZIMMMNC-ATJXCDBQSA-N 473.554 5.390 50 10 JKGE Brc1cc2c(cc1[C@@H](Br)[C@H]1C[C@@H](Br)C1)OCCCO2 1887751320 CUCSNEXCHBNIEW-QIBSRJKCSA-N 454.984 5.220 50 10 JKGE FC(F)(F)[C@H](Br)CSc1cc(I)ccc1Br 1900779690 JBAQQHSMOVNQKI-MRVPVSSYSA-N 489.920 5.472 50 10 JKGE CC(C)(CCl)N(Cc1ccccc1)S(=O)(=O)c1cc(Cl)c(Br)s1 1915749184 GLLBPKNZHFKWNK-UHFFFAOYSA-N 457.242 5.372 50 10 JKGE Clc1ccc([C@@H](Cl)c2c(Br)sc(Br)c2Cl)cc1Cl 1923039503 OZCAESITVJJYBK-MRVPVSSYSA-N 469.840 7.562 50 10 JKGE Clc1c(Br)sc(Br)c1[C@H](Br)C1[C@@H]2CCCC[C@@H]12 1923073602 YIUQGTYVZPJRSZ-HCVRKRLWSA-N 463.460 6.799 50 10 JKGE Cl[C@@H](c1c(Br)sc(Br)c1Br)C1CCOCC1 1924579919 LUKILHNDVAHVRN-MRVPVSSYSA-N 453.421 5.742 50 10 JKGE C[C@@H]1CO[C@@H]([C@H](Br)c2c(Br)sc(Br)c2Br)C1 1924613208 HKBVNTMVBFWPPF-BFHQHQDPSA-N 497.872 5.897 50 10 JKGE Cc1cc([C@@H](Cl)c2sc(Br)c(C)c2Br)c(Br)s1 1951016997 WVTOGUANKBEMTR-MRVPVSSYSA-N 479.484 7.042 50 10 JKGE Clc1c(Br)sc(Br)c1[C@H](Cl)C1(Br)CCC1 1960900345 PNDREQXAPPMVCG-LURJTMIESA-N 457.840 6.524 50 10 JKGE Cn1nc([C@@H](Br)c2cc(Br)c(Cl)s2)c(Br)c1Cl 2001990548 CVCAGPPTVLRZGH-YFKPBYRVSA-N 483.838 5.798 50 10 JKGE Cc1sc(Br)c([C@H](Br)c2ccccc2I)c1C 2024021150 ANWOFKOSZGEZPO-GFCCVEGCSA-N 486.010 6.216 50 10 JKGE CC(C)Cc1ccc([C@H](Br)c2cc(Br)c(Br)s2)s1 2027127747 IMYDGGXYQWLRRV-LBPRGKRZSA-N 473.093 7.017 50 10 JKGE Cn1nc([C@@H](Br)c2cc(Cl)c(Br)cc2F)cc1Br 2033076433 UEHSIGDHMYZULZ-NSHDSACASA-N 461.354 5.222 50 10 JKGE C[C@]1(C(F)(F)F)C[C@@H]1[C@@H](Cl)c1c(Br)sc(Br)c1Br 2043569161 HBOZYQNFUWMUAZ-FROZIPMSSA-N 491.392 6.904 50 10 JKGE CC(C)(C)OC(=O)NCCSSCCN[C@@H]1CCc2cc(NC(=O)OC(C)(C)C)ccc21 2061265947 OEEOHNUIVBJCBX-LJQANCHMSA-N 483.700 5.517 50 10 JKGE FC1([C@H](Br)c2c(Br)sc(Br)c2Cl)CC2(CCC2)C1 2064540655 OAEXRFBXTASLAU-MRVPVSSYSA-N 481.450 7.035 50 10 JKGE CC(C)(C)OC(=O)N1CCC(CI)(OC[C@@H]2C[C@H]2C2CCCC2)CC1 2079996326 SHMYQDLJICYTON-IRXDYDNUSA-N 463.400 5.034 50 10 JKGE BrC[C@H](Cc1ccc(Br)cc1Br)C1CCCCCC1 2092262401 ZKXINZFTDIJLFS-AWEZNQCLSA-N 453.056 6.736 50 10 JKGE BrC[C@]1(Cc2cccc(Br)c2Br)CCC=CCCC1 2092334424 HIUNMRMTHQYCSY-MRXNPFEDSA-N 451.040 6.656 50 10 JKGE Fc1cc(Cl)c(Br)cc1[C@H](Br)c1c(F)cccc1Br 2097834964 OZNARMWYZDVKGE-ZDUSSCGKSA-N 475.352 6.628 50 10 JKGE FC1(F)[C@H]2CC(Oc3c(Br)cc(CBr)cc3Br)C[C@@H]21 2107519037 MPXFHZZUKOOMAN-IUCAKERBSA-N 460.938 5.529 50 10 JKGE C[C@H](Cn1c(CCCl)nc2cc(Cl)c(Br)cc21)N(C)Cc1ccccc1 2112701652 MROBFFIUJPXWRL-CQSZACIVSA-N 455.227 5.754 50 10 JKGE ClCc1nc2cc(Cl)c(Br)cc2n1C1CCN(Cc2ccccc2)CC1 2112701735 NQKGRGYUARHUSY-UHFFFAOYSA-N 453.211 6.028 50 10 JKGE CC(C)n1ncc(Br)c1C[C@@H](Br)c1ccccc1Br 2113445769 ZKQCCRIUSRMBDR-GFCCVEGCSA-N 451.000 5.668 50 10 JKGE FC1(F)CCC[C@@H]2[C@H]([C@@H](Cl)c3c(Br)sc(Br)c3Br)[C@@H]21 2114391520 GUESTKGPLPJSSB-BBERBSMNSA-N 499.440 6.997 50 10 JKGE Cc1c(Cl)cc(C(=O)NCCSSCCNC(=O)OC(C)(C)C)cc1Br 2125301744 JMERLLMGFCRSNB-UHFFFAOYSA-N 483.881 5.047 50 10 JKGE Cl[C@H]1[C@H](CNc2ncc(I)cc2Br)CCC12CCC2 2133382480 VZXSBOBBEMNXOU-CABZTGNLSA-N 455.565 5.048 50 10 JKGE Cc1cc(Br)c(C)c([C@@H](Br)C23CC(C2)[C@@H](C)O3)c1Br 2136383270 XIDQNUQBALZJFH-OHGIUVIRSA-N 453.012 5.832 50 10 JKGE Cc1cc(F)cc(C)c1[C@@H](Br)c1ccc(Br)cc1I 2142288357 RRXFPIZORZPZLT-HNNXBMFYSA-N 497.971 6.294 50 10 JKGE COc1c(CBr)cc(Cl)cc1S(=O)(=O)N(Cc1ccccc1)[C@@H](C)C(C)C 2179826334 QYLHCLRHXFIFBS-HNNXBMFYSA-N 474.848 5.479 50 10 JKGE C[C@H](c1cc(Br)cs1)N(C)c1c(CCl)ccc(Br)c1Cl 2186579982 XWBFVTLBXNVEDY-MRVPVSSYSA-N 458.046 6.863 50 10 JKGE FC1(F)CC2(C[C@H]2COc2c(Br)cc(Br)cc2CBr)C1 2189561045 CVJULRLOXIZNPH-VIFPVBQESA-N 474.965 5.921 50 10 JKGE Brc1ccc(Br)c([C@H](Br)[C@H]2C[C@H]2C2CCCCCC2)c1 2199986187 DZICBRPAHYSMQZ-GRDNDAEWSA-N 465.067 7.254 50 10 JKGE Cc1cc(Br)c([C@@H](Br)[C@@H]2C[C@H]2c2ccccc2)cc1Br 2200001147 LGOOZKKIIXQIIQ-AHIWAGSCSA-N 459.019 6.760 50 10 JKGE COC[C@@]1([C@H](Br)c2c(C)c(Br)cc(C)c2Br)CCCO1 2201066148 XHJODPPZQLIERR-HUUCEWRRSA-N 471.027 5.460 50 10 JKGE Clc1cc(Br)ccc1C[C@@H](Cl)c1csc(Br)c1Br 2221698266 VBFBLAYBNBCJHJ-SNVBAGLBSA-N 493.873 7.212 50 10 JKGE Cc1ccccc1[C@@H](Cl)Cc1sc(Br)c(Br)c1Br 2222450018 RWIGLIFUGYMGEG-VIFPVBQESA-N 473.455 6.867 50 10 JKGE COc1ccc(Br)cc1[C@@H](Cl)c1ccc(C)c(I)c1 2224622158 NQRAARMNSOVFQC-HNNXBMFYSA-N 451.529 5.699 50 10 JKGE Fc1cc(Br)c(Br)cc1[C@@H](Br)[C@@H]1C[C@@H]2CCC[C@@H]2C1 2225618634 YZQGMCNNTPLKDY-FHTCGPRVSA-N 455.003 6.613 50 10 JKGE Fc1cc(Br)c(Br)cc1[C@H](Cl)c1ccc(Br)cc1Cl 2225632470 CFQFACDPHNBWJX-CYBMUJFWSA-N 491.807 7.095 50 10 JKGE C[C@H]1CN(Cc2ccccc2)C[C@@H]1n1c(CCl)nc2cc(Br)c(Br)cc21 2225702978 UCMHCYIXYHFCSR-DJJJIMSYSA-N 497.662 5.993 50 10 JKGE Cc1cccc(C(CBr)(CBr)Cc2cscc2Br)c1 2227115113 IMDJWSUFVGFYHQ-UHFFFAOYSA-N 467.064 6.089 50 10 JKGE FC1(F)CC[C@@H]2[C@H]([C@H](Br)c3c(Br)cc(Cl)c(Cl)c3Cl)[C@H]21 2232510267 GXLILTKYBWXKPB-IXXPFWNASA-N 469.378 7.137 50 10 JKGE Cc1nn(C)c([C@H](Cl)c2c(Br)cc(Cl)c(Cl)c2Cl)c1Br 2232515663 BECBSSDWBNDLRL-LLVKDONJSA-N 481.830 6.542 50 10 JKGE CC1(C)C[C@@H](n2c(CCl)nc3c(F)cc(Br)cc32)CN1Cc1ccccc1 2232924104 SFXWFMYKDZHUIP-MRXNPFEDSA-N 450.783 5.902 50 10 JKGE COc1cc(Br)c(C)cc1[C@H](Br)c1sc(C)c(Br)c1C 2234463682 ICMKKWMATTUJNP-AWEZNQCLSA-N 483.063 6.691 50 10 JKGE Cc1cc(Br)c([C@H](Br)c2c(F)cccc2F)c(C)c1Br 2235602067 CEKFSMJFHXKSND-HNNXBMFYSA-N 468.961 6.591 50 10 JKGE CCOc1ccc([C@@H](Br)c2ccc(Cl)c(I)c2)s1 2256337942 UKXIHTYMXAUIFZ-ZDUSSCGKSA-N 457.558 5.889 50 10 JKGE COc1ccc([C@@H](Br)c2cccc(Cl)c2C)cc1I 2269555693 JMKHZGUNHXJYNE-OAHLLOKOSA-N 451.529 5.746 50 10 JKGE Brc1cc(Br)cc(C[C@@H](Br)C23CCC(CC2)OC3)c1 2277952950 LSEVSLUGURBWMH-SHARSMKWSA-N 453.012 5.477 50 10 JKGE Fc1cc(F)cc([C@H](Br)Cc2cc(Br)cc(Br)c2)c1 2277963791 YPJMRUIXNXLMJA-CQSZACIVSA-N 454.934 6.169 50 10 JKGE COc1ccc([C@@H](Br)c2cc(F)c(Br)cc2Cl)cc1Br 2282900525 XONUQMVFWJTLRO-CQSZACIVSA-N 487.388 6.497 50 10 JKGE COc1c([C@H](Br)c2c(Br)cnn2C)cc(Br)c(C)c1C 2284588956 RCZQGWDCUXPJKV-LBPRGKRZSA-N 466.999 5.055 50 10 JKGE COc1c([C@H](Br)c2ccoc2Br)cc(Br)c2c1CCC2 2284592145 BDFJLMARWDVICX-CYBMUJFWSA-N 464.979 5.786 50 10 JKGE Fc1cc(Br)c(F)c(Br)c1[C@H](Br)[C@@H]1OC[C@@H]2CCC[C@H]21 2288489719 XKPFNYBGAVSFRL-GKPVPNALSA-N 474.965 5.741 50 10 JKGE Cc1ccc(S(=O)(=O)n2cc(C=C(C#N)C(=O)Nc3ccc(Cl)cc3)c3ccccc32)cc1 2294510828 OPNNBEJWPIQQEA-UHFFFAOYSA-N 475.957 5.386 50 10 JKGE CCOc1ccccc1[C@H](Br)Cc1cc(Br)cc(Br)c1 2295346118 VLPCSGUICWBOCI-OAHLLOKOSA-N 463.007 6.289 50 10 JKGE CCCCCCCCCCCCN1C=CC(=CC=C(C#N)C(=O)ONc2ccccc2)c2ccccc21 2296645035 LJVNKJKCJVNXSE-UHFFFAOYSA-N 497.683 8.345 50 10 JKGE Cc1c(CO[C@@H]2CN(C(=O)OC(C)(C)C)C[C@H]2I)ccc(Cl)c1Cl 2301380589 YRUPWTLRZXLWEM-ZIAGYGMSSA-N 486.177 5.241 50 10 JKGE Cc1cc(Br)c(F)c(Br)c1[C@@H](Br)[C@H]1C[C@@H](Br)C1 2301492397 OOGXVIUJVHSNDS-PJKMHFRUSA-N 493.834 6.269 50 10 JKGE CCN(C[C@](C)(CI)O[C@H]1CCCC[C@@H]2C[C@H]12)C(=O)OC(C)(C)C 2302879232 YTOMMIJJTWSQLD-DRMAHVMPSA-N 451.389 5.032 50 10 JKGE O=C(N[C@@H](CCBr)COCc1ccccc1)c1cc(Cl)cc(Br)c1 2303545513 SGCHCJAUSQXYDX-KRWDZBQOSA-N 475.608 5.203 50 10 JKGE N#CC(=Cc1cccc(OCc2ccc(Br)cc2)c1)C(=O)Nc1ccccc1F 2313631374 PBYMFJJAGOEXED-UHFFFAOYSA-N 451.295 5.713 50 10 JKGE C[C@@H]1C[C@@H]2C[C@@H]2C[C@H]1[C@@H](Br)c1cc(Br)ccc1OCc1ccccc1 2314496442 BJFTXDXEVYTCSG-ASAQZKIWSA-N 464.241 7.146 50 10 JKGE CC1(C)[C@H]2C[C@H]([C@H](Br)c3ccc(OCc4ccccc4)cc3Br)C[C@H]21 2314502807 MBXXRBGGGJAOTO-RMYQPGKMSA-N 464.241 7.146 50 10 JKGE FC(F)CC1([C@H](Br)c2ccc(OCc3ccccc3)cc2Br)CCC1 2314504032 YOKRPRJMOXPEBI-LJQANCHMSA-N 474.183 7.290 50 10 JKGE COc1ccccc1NC(=O)C(C#N)=C1S[C@@H](Cc2cccc(C)c2)C(=O)N1c1ccc(C)c(C)c1 2314592155 MQOATHCNGLYWHY-SANMLTNESA-N 497.620 5.685 50 10 JKGE CCOc1ccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)C=Cc4ccccc4Cl)ccc32)cc1 2314640716 PZPZHXMLILNSAS-AREMUKBSSA-N 472.928 5.576 50 10 JKGE COc1c(Br)cc(C)c([C@H](Br)c2cnsc2)c1Br 2317402838 IKBANAIGLXFRMR-SNVBAGLBSA-N 455.997 5.469 50 10 JKGE CO[C@]1(C(F)F)C[C@H]([C@H](Br)c2sc(Br)cc2Br)C1 2320067553 WOZJHSBFBPKIKG-HCPJGSBBSA-N 468.983 5.769 50 10 JKGE CC(C)c1ccc(-c2csc3nc(SCC(=O)NN=Cc4ccc(O)cc4)nc(O)c23)cc1 2320486448 VMJSQVZFEOWQPH-UHFFFAOYSA-N 478.599 5.135 50 10 JKGE C[C@@H]1C[C@@](CBr)(Cc2ccc(I)c(Br)c2)CCO1 2325220961 KNIMALJMAAGHES-QMTHXVAHSA-N 488.001 5.176 50 10 JKGE CCOC(=O)c1c(NC(=O)C(C#N)=Cc2ccc(OC)cc2)sc(C(=O)Nc2ccccc2)c1C 2329622503 XKRFBSOJKXMTQT-UHFFFAOYSA-N 489.553 5.040 50 10 JKGE CCOC(=O)c1c(-c2ccc3c(c2)CCCC3)csc1NC(=O)C(C#N)=Cc1cccc(F)c1 2329674114 ZYPHUFYCHJYMBE-UHFFFAOYSA-N 474.557 6.155 50 10 JKGE CCOC(=O)c1c(-c2ccc(C)c(C)c2)csc1NC(=O)C(C#N)=Cc1ccc(OC)c(OC)c1 2329703215 ZKIPALKZMFXDDS-UHFFFAOYSA-N 490.581 5.772 50 10 JKGE COc1cccc(-c2csc(C(C#N)=C(O)CNC(=O)c3ccc(Cl)cc3Cl)n2)c1 2331246519 WKVYLAVLMARIKT-UHFFFAOYSA-N 460.342 5.348 50 10 JKGE CCc1cccc(C)c1N1C[C@@H](C(O)=C(C#N)c2nc(-c3ccc(F)cc3F)cs2)CC1=O 2331286502 BCAZIXMWOIREMY-INIZCTEOSA-N 465.525 5.805 50 10 JKGE CCCCc1ccc(N2C[C@H](C(O)=C(C#N)c3nc(-c4ccc(OC)c(F)c4)cs3)CC2=O)cc1 2331336942 LTKANFWKHPUBDM-LJQANCHMSA-N 491.588 6.146 50 10 JKGE COc1ccc(-c2csc(C(C#N)=C(O)CNC(=O)c3ccc(Cl)cc3Cl)n2)c(C)c1C 2331361480 XEZORVIPYBBPER-UHFFFAOYSA-N 488.396 5.965 50 10 JKGE COc1ccc(Cl)cc1-c1csc(C(C#N)=C(O)CCCOc2ccccc2Cl)n1 2331410986 AXFPPXKDDWMKKR-UHFFFAOYSA-N 461.370 6.777 50 10 JKGE CCOc1cc(C=C(C#N)c2nc(-c3ccc(C)cc3)cs2)ccc1OCC(=O)N(CC)CC 2331445209 UGQBVMUNTMQBMT-UHFFFAOYSA-N 475.614 5.829 50 10 JKGE C[C@@H]1Cc2cc(Br)cc([C@H](Br)c3cnsc3Br)c2O1 2337333887 GISZBQQHLKMGJP-KBUNVGBDSA-N 468.008 5.476 50 10 JKGE CCCc1sc(Br)cc1[C@H](Br)c1ccc(Cl)c(Br)c1 2338019381 CYHBIRPDPLHMNL-CQSZACIVSA-N 487.482 7.363 50 10 JKGE COc1c([C@@H](Cl)c2c(Cl)cc(Br)c(F)c2Br)csc1Cl 2362222022 CFRXFJXSQJGSNA-SECBINFHSA-N 483.411 7.056 50 10 JKGE CN(c1cc(Cl)c(F)cc1CBr)[C@@H]1C[C@@H]2C[C@H](OCc3ccccc3)C[C@H]21 2362382821 JEKFUXBHFTZOGX-CTWQGKMFSA-N 452.795 6.194 50 10 JKGE BrCc1cc(Br)c(OCC[C@H]2CC[C@H]2C2CC2)c(Br)c1 2368450554 BYEWAGXEBVQQIX-OLZOCXBDSA-N 467.039 6.312 50 10 JKGE Cc1cc(Br)c(F)c(Br)c1[C@H](Br)[C@@H]1CC[C@H]1C(C)(C)C 2369053012 DWFWOMROFIAYTJ-GIPNMCIBSA-N 471.046 7.167 50 10 JKGE CCN(C[C@@](C)(CI)OCc1cccc(C2CCC2)c1)C(=O)OC(C)(C)C 2369869733 HQMUCPCEEFDMSQ-JOCHJYFZSA-N 487.422 5.921 50 10 JKGE N#CC(C(=O)Nc1ccccc1)=C(SCc1ccccc1Cl)SCc1ccccc1Cl 3059081 LUUQKTIAUIEKAU-UHFFFAOYSA-N 485.461 7.534 50 10 JKGE CCCCOc1cccc(-c2cc(C(=O)NN=Cc3ccc4c(c3)OCO4)c3ccccc3n2)c1 8568032 HTAWOGQTPVAUNT-UHFFFAOYSA-N 467.525 5.573 50 10 JKGE Cc1cc([C@@H]2C(C#N)=C(N)N(c3cccnc3)C3=C2C(=O)C[C@@H](c2ccccc2)C3)c(C)s1 9981760 FVYWYGDELMFZBO-UQBPGWFLSA-N 452.583 5.458 50 10 JKGE CCSc1sc(CC)cc1[C@@H]1C(C#N)=C(N)N(c2ccc(CC)cc2)C2=C1C(=O)CC(C)(C)C2 9982342 TYWSEZCWNXDXGC-XMMPIXPASA-N 491.726 6.926 50 10 JKGE O=C(COc1ccc(Cl)cc1Br)N/N=C/c1cccc(Oc2ccccc2)c1 14014967 JSKRXVITCNPXDV-ZMOGYAJESA-N 459.727 5.424 50 10 JKGE CC[C@@H](Oc1ccc(-c2ccccc2)cc1)C(=O)NNC(=O)[C@H](C)Oc1ccc2ccccc2c1 14768978 JQMSUKPYPZUCIT-CCLHPLFOSA-N 468.553 5.279 50 10 JKGE CCc1ccccc1N/C(SCc1ccccc1Cl)=C(/C#N)S(=O)(=O)c1ccccc1 20325371 NMSRDDKRAZQQIP-WCWDXBQESA-N 469.031 6.414 50 10 JKGE CCCCOc1ccc(/C=C(\C#N)c2nc(-c3cc4c(ccc5ccccc54)oc3=O)cs2)cc1 27474133 GLSJWWHXUXKOAD-RCCKNPSSSA-N 478.573 7.313 50 10 JKGE O=C(N/N=C/c1c2ccccc2cc2ccccc12)c1ccc(NC(=O)c2ccc(F)cc2)cc1 27520108 BXPNFWDEQGRDQW-FDAWAROLSA-N 461.496 6.148 50 10 JKGE N#C/C(=C/c1ccc(OC(=O)c2cc(C(F)(F)F)cc(C(F)(F)F)c2)cc1)c1ccccc1 31900154 NFLVSZYFTOCUKY-ZDLGFXPLSA-N 461.361 7.008 50 10 JKGE N#C/C(=C/c1cccc(OC(=O)c2cc(C(F)(F)F)cc(C(F)(F)F)c2)c1)c1cccc(Cl)c1 31902500 WZUJMRJNPZXODH-IDUWFGFVSA-N 495.806 7.661 50 10 JKGE N#C/C(=C\c1ccc(-c2cccc(Cl)c2Cl)o1)C(=O)Nc1sc2c(c1C(N)=O)CCCC2 33568119 HHYXFNZPNWVSKN-ZRDIBKRKSA-N 486.380 5.838 50 10 JKGE CCCCSc1ccc(-c2nn(-c3ccccc3)cc2/C=C(/C#N)C(=O)NC2CCCCC2)cc1 35445913 LEUXELKZDOXCCL-NMWGTECJSA-N 484.669 6.787 50 10 JKGE CC(C)c1ccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4ccc(C(C)(C)C)cc4)ccc32)cc1 38649372 NUIMZBVOWFTWGD-MHZLTWQESA-N 466.581 6.545 50 10 JKGE CCOc1ccccc1[C@H]1C(C#N)=C(N)Oc2cc(OC(=O)c3ccc(Cl)cc3Cl)ccc21 38650477 FDAXTLYIXVEJQM-HSZRJFAPSA-N 481.335 5.829 50 10 JKGE N#CC1=C(N)Oc2cc(OC(=O)c3cccc(Cl)c3)ccc2[C@H]1c1cccc(Oc2ccccc2)c1 38660922 WVUGQPCTRZIXMZ-HHHXNRCGSA-N 494.934 6.570 50 10 JKGE O=C(N/N=C/c1ccc(OCc2ccccc2F)cc1)c1cc2cc(Br)ccc2o1 59445136 UBXNCIVUWZZSBR-LGJNPRDNSA-N 467.294 5.677 50 10 JKGE COc1cc(/C=C(\C#N)C(=O)Nc2ccccc2)cc(Br)c1OCc1ccc(C)cc1 59484109 LKKJKYIZJHUCOC-UDWIEESQSA-N 477.358 5.891 50 10 JKGE COc1cccc(/C=C(/C#N)C(=O)Nc2ccc3c(c2)OCCO3)c1OC/C=C/c1ccccc1 96438561 WDZNVHYHUQRVBG-LZDZMTAZSA-N 468.509 5.104 50 10 JKGE C[C@@H](Cl)c1nc2cc(I)ccc2n1[C@H](C)c1ccc(Cl)s1 97354352 SBMLFDRXGRAJKW-RKDXNWHRSA-N 451.160 6.265 50 10 JKGE COc1cc(/C=C(/C#N)C(=O)Nc2nc3ccccc3s2)cc(Cl)c1OCc1ccccc1C 102443858 AJLIQBXWQGQOJU-ODLFYWEKSA-N 489.984 6.391 50 10 JKGE Cc1ccc(NC(=O)/C(C#N)=C\c2cc(C)n(-c3ccc(N4CCCCC4)c([N+](=O)[O-])c3)c2C)cc1 102637399 LIPMTXZLNBPHBD-KQWNVCNZSA-N 483.572 5.847 50 10 JKGE FC(F)Oc1ccc([C@H](Br)c2cc(Br)ccc2Br)cc1 109844323 IYUAMDHSDODFBC-ZDUSSCGKSA-N 470.933 6.297 50 10 JKGE Brc1cccc(C[C@@H](Br)c2cc(Br)ccc2Br)c1 109844497 GDVOPSGKXYQBNJ-CQSZACIVSA-N 497.850 6.653 50 10 JKGE Brc1cc([C@H](Br)CC23CC4CC(CC(C4)C2)C3)c(Br)s1 124381115 FGBGAQROJVIPFI-USXFBYMISA-N 483.107 7.316 50 10 JKGE Brc1cc([C@H](Br)c2ccc3c(c2)OCCO3)sc1Br 128268927 ZARMPZIUTGLCGT-GFCCVEGCSA-N 468.992 5.529 50 10 JKGE Cc1cc(Br)c([C@H](Br)[C@@H]2CCCc3ccccc32)cc1Br 128828336 ITCVGJVAQFSQMC-RDTXWAMCSA-N 473.046 7.076 50 10 JKGE COc1cc([C@H](Br)c2cc(F)ccc2Br)c(OC)cc1Br 134296549 CHZQDTUFTRHUJY-OAHLLOKOSA-N 482.969 5.852 50 10 JKGE CCOc1ccc([C@@H](Cl)c2cc(Br)ccc2Br)cc1Br 161124008 QPXVZWQVMZDEKR-OAHLLOKOSA-N 483.425 6.701 50 10 JKGE Fc1cccc(Br)c1[C@H](Cl)c1cc(Br)sc1Br 161185387 LHNWRLKFSGDAHP-SNVBAGLBSA-N 463.391 6.503 50 10 JKGE CCCCOc1ccc(/C=C(/C#N)C(=O)Oc2ccc3cc(C(=O)N[C@H](C)CC)c(=O)oc3c2)cc1 206544958 GPQONZWSSBXUEB-MKYLKIGJSA-N 488.540 5.013 50 10 JKGE N#C/C(=C/c1ccc(OC(=O)/C=C/c2ccccc2)cc1)c1nc(-c2ccc3ccccc3c2)cs1 210604533 DXIFLRJHZQCULS-HDKMZWRISA-N 484.580 7.646 50 10 JKGE CCOc1cc(/C=C2\C(=O)N([C@H](C)CC)C(=O)C(C#N)=C2C)ccc1OCc1ccc(C)cc1 214269108 ZMIFXCAOTUPYSE-JVMBGAFUSA-N 458.558 5.364 50 10 JKGE CCOc1ccc([C@H](Cl)c2cc(Br)cc(Br)c2)cc1Br 233801870 YDHFHZUPZLMVIP-HNNXBMFYSA-N 483.425 6.701 50 10 JKGE Cc1sc([C@H](Br)c2ccc(Cl)cc2Br)cc1Br 235974282 KYQRVKMSYLZUJD-GFCCVEGCSA-N 459.428 6.719 50 10 JKGE Fc1ccc([C@@H](Cl)c2cc(Br)cc3c2OCC3)c(I)c1 236191466 HSEAODYHXXQLGY-CQSZACIVSA-N 467.503 5.456 50 10 JKGE O=C(Cc1c[nH]c2ccccc12)NN=Cc1ccc(OCc2ccccc2)c(OCc2ccccc2)c1 252467323 COBMTWPFFGBPFR-UHFFFAOYSA-N 489.575 6.019 50 10 JKGE COc1ccc2ccccc2c1C=NNC(=O)c1ccc(-n2c(C)ccc2-c2ccccc2)cc1 254377635 FLQKGMBTSUBDEP-UHFFFAOYSA-N 459.549 6.378 50 10 JKGE Cc1ccc(C)n1-c1ccc(C(=O)NN=Cc2cn(-c3ccccc3)nc2-c2ccccc2)cc1 254745836 QSFLMDFXHWVHJF-UHFFFAOYSA-N 459.553 5.711 50 10 JKGE CC(C)[C@H]1CC[C@@H](C)C[C@@H]1O[C@@](C)(CI)CNC(=O)OC(C)(C)C 303741195 JBQPTNGPDDKGNV-JEWRLFTDSA-N 453.405 5.182 50 10 JKGE Cc1cc(C(=O)[C@@H](C)Cl)c(C)n1-c1cc(I)ccc1Br 312303092 UWKFEZKWMJWYHQ-SECBINFHSA-N 466.544 5.271 50 10 JKGE O=C(NC[C@H]1CCC[C@H](CBr)C1)c1ccc(Br)cc1Br 312710266 SRXLTGGOUKLBSW-QWRGUYRKSA-N 468.027 5.143 50 10 JKGE CN(c1ccc(Br)cc1CBr)[C@H]1CCCN(Cc2ccccc2)C1 388336329 FSPSXXHQLLDFFI-IBGZPJMESA-N 452.234 5.445 50 10 JKGE CN(c1cc(Br)ccc1CBr)[C@H]1CCCN(Cc2ccccc2)C1 388402544 MUHGPZPGSGJLDG-IBGZPJMESA-N 452.234 5.445 50 10 JKGE Cc1cc(Br)c([C@@H](Br)c2csc(C(F)(F)F)c2)cc1Br 718728819 FPUDTVBZZZHALM-LBPRGKRZSA-N 492.980 7.085 50 10 JKGE C[C@@H]1Cc2cc(Br)cc([C@H](Br)c3ccc(OCc4ccccc4)cc3)c2O1 720047732 ZMTMWKONYGKRIV-IVZQSRNASA-N 488.219 6.836 50 10 JKGE Cc1ccc(C[C@H](Br)c2ccc(I)c(Br)c2)cc1 721571716 IGLILAREJBPQKI-ZDUSSCGKSA-N 479.981 6.041 50 10 JKGE O=C(NN=C(CSc1nc2ccccc2[nH]1)c1cccc(Br)c1)c1cccc(Cl)c1 1084117714 XHNDGYVMCCLUOV-UHFFFAOYSA-N 499.821 5.905 50 10 JKGE CCOc1cc(/C=C(/C#N)C(=O)Nc2ccccc2CC)ccc1OCc1ccc(Cl)cc1 1084183633 SFJQSOLZTNBISO-JCMHNJIXSA-N 460.961 6.426 50 10 JKGE O=C(NN=Cc1cc(Cl)c(OCc2ccccc2F)c(Cl)c1)c1cc2ccccc2o1 1084257402 KYCTZVPWOBVKRC-UHFFFAOYSA-N 457.288 6.222 50 10 JKGE CCOc1ccc([C@@H](O)CCC(=O)NN=Cc2ccc(-c3cc(Cl)ccc3Cl)o2)cc1 1084330183 VWRXYZOYAJNTMF-NRFANRHFSA-N 461.345 5.616 50 10 JKGE CCOc1ccc(C(C)=NNC(=O)c2ccc(CN3CCC(Cc4ccccc4)CC3)cc2)cc1 1084491762 QJIYLJDFTYMKPO-UHFFFAOYSA-N 469.629 5.694 50 10 JKGE Cc1c(C(=O)Nc2ccc(N=Nc3ccccc3)cc2)oc2c1C(=NNC(=O)c1ccccc1)CCC2 1772744432 DLLBBFBQVOCLDP-UHFFFAOYSA-N 491.551 6.726 50 10 JKGE CCCOc1ccc(C=NNC(=O)COc2ccc(-c3ccccc3)cc2Br)cc1 1772754798 VUIKYDPTBNPCDJ-UHFFFAOYSA-N 467.363 5.434 50 10 JKGE N#CSc1ccc(NC(=O)CNCc2cn(CCOc3ccc(Cl)cc3)c3ccccc23)cc1 1860719490 ZMVNFYLNSIUNOP-UHFFFAOYSA-N 491.016 5.675 50 10 JKGE COC(=O)c1c(NC(=O)C(=O)Nc2ccc(SC#N)cc2)sc(C)c1-c1ccc(C)c(C)c1 1860748884 MIAVONQSFDYKKC-UHFFFAOYSA-N 479.583 5.277 50 10 JKGE N#CC1=C(N)Oc2c(c(C(F)(F)F)nn2-c2cccc(Cl)c2)[C@@H]1c1cccc(Br)c1 1865684713 WIJQCPABBNRCLM-OAHLLOKOSA-N 495.686 5.525 50 10 JKGE N#CC1=C(N)Oc2c(c(C(F)(F)F)nn2Cc2ccccc2Cl)[C@H]1c1ccc(Cl)c(Cl)c1 1865685096 FLBWNJWKJWEERG-INIZCTEOSA-N 499.707 6.129 50 10 JKGE Cc1ccc(Cn2nc(C(F)(F)F)c3c2OC(N)=C(C#N)[C@H]3c2c(F)cccc2Cl)cc1 1865685583 KOPZIMMLGZYQDM-INIZCTEOSA-N 462.834 5.269 50 10 JKGE COc1cc([C@@H]2C(C#N)=C(N)Oc3c2c(C)nn3-c2ccc(Cl)cc2)ccc1OCc1ccccc1 1865687694 YAOFGCICKFKGCR-AREMUKBSSA-N 498.970 5.640 50 10 JKGE CCCOc1ccc([C@@H]2C(C#N)=C(N)Oc3c2c(CCC)nn3-c2ccc(Cl)cc2)cc1OCC 1865688051 HPAKPIOPTAJSPM-XMMPIXPASA-N 493.007 5.884 50 10 JKGE CC(C)c1ccc([C@H](C(=O)N[C@H](C(=O)Nc2ccc(SC#N)cc2)c2ccccc2)C(C)C)cc1 1866964248 SUFWBLSMGPMMDI-SXOMAYOGSA-N 485.653 6.619 50 10 JKGE COc1cc2nc(/C(C#N)=C/c3ccccc3OCc3ccc(Cl)cc3)nc(O)c2cc1OC 1872727558 JXUUXHWHZFHENO-WOJGMQOQSA-N 473.916 5.649 50 10 JKGE CC[C@@H](C)[C@@H](/C(O)=C(\C#N)c1nc(-c2ccc(C)cc2C)cs1)N1C(=O)c2ccccc2C1=O 1872748568 CQWMIBFMSWFMDN-HGIDEQORSA-N 471.582 5.931 50 10 JKGE CCOC(=O)c1ccc(N2C[C@@H](/C(O)=C(\C#N)c3nc(-c4ccc(F)c(C)c4)cs3)CC2=O)cc1 1872750002 RURVTOPRTCWXFU-FCFMXISVSA-N 491.544 5.280 50 10 JKGE C[C@H](Oc1ccc(Cl)cc1Cl)/C(O)=C(\C#N)c1nc(-c2ccc(C(C)(C)C)cc2)cs1 1872751168 URKDXFZIUUHCCM-RJHYDAJSSA-N 473.425 7.675 50 10 JKGE COc1cc(Cl)c(C)cc1-c1csc(/C(C#N)=C(\O)c2ccc(NS(C)(=O)=O)cc2)n1 1872757306 ZNAOWWOKZDXGDN-SILNSSARSA-N 475.979 5.102 50 10 JKGE CCOc1cc(/C=C(\C#N)c2nc(-c3ccc(C)cc3C)cs2)cc(Br)c1O 1872790364 CYSOYGSMSQFKHA-LZYBPNLTSA-N 455.377 6.358 50 10 JKGE CCC[C@@H](Br)CCCc1ccc(I)c(Br)c1 1904329352 JOPYGNLQGOFCPK-LLVKDONJSA-N 459.991 5.940 50 10 JKGE Clc1c(Br)sc(Br)c1[C@H](Br)CCC1CCCCC1 1923037210 BJKDUYMAXKQHLL-SECBINFHSA-N 479.503 7.723 50 10 JKGE Clc1c(Br)sc(Br)c1[C@H](Br)[C@H]1CC[C@@H]2C[C@@H]2C1 1923066848 VXZASGJAMYQGFX-JVZYCSMKSA-N 463.460 6.799 50 10 JKGE Clc1ccc(C[C@@H](Cl)c2c(Br)sc(Br)c2Br)cc1 1924591454 RMMSIATXTUYRTC-MRVPVSSYSA-N 493.873 7.212 50 10 JKGE C[C@H](C[C@H](Cl)c1c(Br)sc(Br)c1Br)CC(C)(C)C 1924591713 TVNJWBMYXYGSRD-SFYZADRCSA-N 481.519 7.778 50 10 JKGE Clc1sc(Br)c(Cl)c1[C@H](Br)[C@@H]1CCC[C@@H]2CCCC[C@H]21 1925562476 XZEYBBOMMILFMR-BTQIBKBOSA-N 461.090 7.860 50 10 JKGE Clc1sc([C@H](Cl)c2c(Br)cccc2Br)cc1Br 1945321545 HJGBJLXUCXPZFP-JTQLQIEISA-N 479.846 7.017 50 10 JKGE COc1sc([C@@H](Cl)c2scc(Br)c2Br)cc1Br 1946729993 WVGBKCUTBFJXBF-MRVPVSSYSA-N 481.456 6.434 50 10 JKGE CC(C)(C)OC(=O)NC[C@@](C)(CBr)OCc1cc(Cl)ccc1Br 1993166666 YCXNIDFOJYVLFA-MRXNPFEDSA-N 471.617 5.297 50 10 JKGE CC[C@H]([C@H](Cl)c1c(Br)sc(Br)c1Br)C(C)(F)F 2004480485 ZGKFRAPCOLEGHI-FBCQKBJTSA-N 475.418 6.997 50 10 JKGE CC(C)(C)[C@@H](CCBr)NC(=O)c1csc(Br)c1Br 2032954127 XEKUHUSBCIPTOR-MRVPVSSYSA-N 462.045 5.203 50 10 JKGE COc1ccc(Cl)cc1[C@@H](Br)c1csc(Br)c1Br 2032958317 AQFJNIMZOIBFNP-SNVBAGLBSA-N 475.427 6.419 50 10 JKGE CCc1sc(Br)cc1[C@@H](Br)c1c(Br)cnn1CC 2033246768 QMSUQGNJOYPMKL-LLVKDONJSA-N 457.029 5.536 50 10 JKGE Cn1nc([C@@H](Br)Cc2ccc(Br)cc2)c(Br)c1Cl 2048149821 WLVFFZIJIBBJMA-VIFPVBQESA-N 457.391 5.277 50 10 JKGE C[C@@H](CCCCCI)NCc1ccc(Br)cc1Br 2054169666 GPTQRQDGVRJMRQ-NSHDSACASA-N 489.033 5.685 50 10 JKGE CCn1cc(Br)c([C@H](Cl)c2cc(Br)ccc2Br)n1 2060854803 ZEGQPPGAQRVRCC-LLVKDONJSA-N 457.391 5.519 50 10 JKGE Cc1cccc([C@@H](Cl)c2ccc(Br)cc2Br)c1Br 2083322240 SUOSCYSZIFQKSM-AWEZNQCLSA-N 453.399 6.611 50 10 JKGE Clc1ccc([C@@H](Cl)c2ccc(Br)cc2Br)cc1Br 2083330716 RUQJMUBNFYVCOZ-CYBMUJFWSA-N 473.817 6.956 50 10 JKGE CN(c1cc(Br)ccc1CBr)[C@H]1C[C@@H]2CC[C@H](C1)N2Cc1ccccc1 2094900740 OGVLCKCIVJGAHJ-WKCHPHFGSA-N 478.272 5.976 50 10 JKGE Cc1cc(C)c([C@H](Br)c2cc(Br)sc2C)c(C)c1Br 2095698813 KBPKWJBJOUDQAC-OAHLLOKOSA-N 467.064 6.991 50 10 JKGE Clc1cc(OCc2c(Br)cccc2Br)ccc1CBr 2096974384 DLMLZSADQHWTFN-UHFFFAOYSA-N 469.398 6.339 50 10 JKGE C[C@@H](CN(C)Cc1ccccc1)n1c(CCCl)nc2cc(Br)c(Cl)cc21 2103625617 ZCGJYJXZJMLFEF-AWEZNQCLSA-N 455.227 5.927 50 10 JKGE Brc1cc([C@H](Br)[C@@H]2C[C@@H]3CCCCCC[C@@H]32)c(Br)s1 2109845655 JYIJYMGMRRBHRP-KZWBYHQPSA-N 471.096 7.316 50 10 JKGE ClCCc1nc2cc(Cl)c(Br)cc2n1[C@H]1CCN(Cc2ccccc2)C1 2112700066 RSEJEMMJXVOOKA-HNNXBMFYSA-N 453.211 5.681 50 10 JKGE CC(C)c1nc(C[C@H](Br)c2ccc(Br)cc2)c(Br)[nH]1 2113488270 BLUVTBCJDGHPHM-NSHDSACASA-N 451.000 5.737 50 10 JKGE Cc1cc(Br)c(CBr)c(N(C)[C@H]2CC(C)(C)[C@@H]2OCc2ccccc2)c1 2116804139 OJDLHNXVAGUHAA-LEWJYISDSA-N 481.272 6.473 50 10 JKGE BrCCN(Cc1cccs1)Cc1cc(Br)ccc1Br 2118520949 ZQHMSFJOFRDJLD-UHFFFAOYSA-N 468.052 5.670 50 10 JKGE Cc1c(F)ccc([C@@H](Br)c2cccc(Br)c2Br)c1C 2138891629 URQJEFWTLJPOTK-CQSZACIVSA-N 450.971 6.452 50 10 JKGE COc1ccc([C@@H](Cl)c2ccc(Br)cc2I)cc1C 2142289364 YSZYQMOBRNVJEO-OAHLLOKOSA-N 451.529 5.699 50 10 JKGE Clc1cc(CN2CC[C@]3(CCC[C@H]3Br)C2)ccc1I 2142951303 ZAUZELBEAURECM-HUUCEWRRSA-N 454.577 5.084 50 10 JKGE COc1cc(Br)c(C)cc1[C@@H](Br)Cc1ccc(Br)cc1 2145961586 JMKWTOTVJWMECG-HNNXBMFYSA-N 463.007 6.207 50 10 JKGE C[C@H]1Cc2cc([C@@H](Cl)c3cccc(I)c3)cc(Br)c2O1 2146616255 ONSRDJNFQLBSNE-VFZGTOFNSA-N 463.540 5.705 50 10 JKGE C[C@@H](Br)C[C@H]1CCCCCN1Cc1c(Br)cccc1Br 2150495587 NJEAFJHANRLUPJ-CHWSQXEVSA-N 468.071 6.130 50 10 JKGE CC(C)(C)[C@H]1C[C@@H](CBr)CN(c2ncc(Br)cc2Br)C1 2165000054 RXCHLGNQBWEZFL-QWRGUYRKSA-N 469.059 5.490 50 10 JKGE Clc1ccc(C[C@@H](CBr)Cc2ccc(Br)cc2)cc1Br 2166826691 ZGHDBFGGNBJBLZ-ZDUSSCGKSA-N 481.453 6.661 50 10 JKGE C[C@H](c1cccs1)N(Cc1ccccc1)S(=O)(=O)N1CCC[C@H](CCBr)C1 2179953590 BZQJEJKYUWFYPH-IEBWSBKVSA-N 471.486 5.053 50 10 JKGE CC(C)C(CC(CBr)(CBr)c1ccccc1Br)C(C)C 2189104574 KHBISZYZDVTLOD-UHFFFAOYSA-N 469.099 6.795 50 10 JKGE Cc1cc(Br)c(C)c([C@H](Br)C[C@@H]2COC(C)(C)C2)c1Br 2201076547 GSSGLLDTQJTRGL-WCQYABFASA-N 469.055 6.470 50 10 JKGE COc1ccc([C@@H](Br)c2cc(Cl)cc(Br)c2)c(Cl)c1Cl 2203433666 RIXRTPARTAGMBS-LBPRGKRZSA-N 459.392 6.902 50 10 JKGE O=C(c1ccc(I)c(Br)c1)N1CCCC[C@@H]1CCCCl 2206667917 NIDAATNBMXKFNS-GFCCVEGCSA-N 470.576 5.067 50 10 JKGE Cc1nscc1[C@H](Br)c1c(Br)cc(Cl)c(Cl)c1Cl 2217617771 JOFBSHHVZJLIJH-VIFPVBQESA-N 450.410 6.659 50 10 JKGE Cc1sc([C@@H](Br)c2sc(C)c(Br)c2C)c(Br)c1C 2221824802 LHUJKIJPOYMDGQ-NSHDSACASA-N 473.093 7.053 50 10 JKGE Clc1cc(Br)c([C@@H](Br)[C@@H]2CCCOCC2)c(Cl)c1Cl 2224317196 LMELMWPZDBHQTA-HQJQHLMTSA-N 451.413 6.662 50 10 JKGE CC(C)(C)OC1CC(C[C@@H](Br)c2cc(Br)c(Br)s2)C1 2224728360 XKMHYVNZRWMHGK-UDNWOFFPSA-N 475.084 6.693 50 10 JKGE COc1ccc([C@H](Br)c2cc(I)sn2)cc1C(C)C 2224895663 RODJNIYDOWTHKC-AWEZNQCLSA-N 452.155 5.364 50 10 JKGE Cc1sc(Br)cc1[C@@H](Br)c1c(F)cc(F)c(Br)c1F 2227804761 FBXNNSJDCZZHQD-SNVBAGLBSA-N 478.953 6.483 50 10 JKGE Clc1cc(Br)c([C@H](Br)[C@@H]2C[C@H]3C[C@H]2[C@H]2C[C@H]23)c(Cl)c1Cl 2232530183 PPAPXJHTILFUEA-UMCLFIRUSA-N 459.436 7.137 50 10 JKGE Cc1cc(Br)c([C@@H](Br)C[C@@H]2C[C@H]3CC[C@H]2C3)c(C)c1Br 2235603011 GJXYRRGBXQXZIN-ABHRYQDASA-N 465.067 7.091 50 10 JKGE O=C(c1cc(Br)c(F)cc1Cl)N(CCCBr)Cc1ccccc1 2244169331 SBQKJJMDIAWJFI-UHFFFAOYSA-N 463.572 5.669 50 10 JKGE COc1ccc([C@@H](Br)c2cocc2Br)cc1I 2249421519 IKOHMSGZMNBYPQ-GFCCVEGCSA-N 471.914 5.140 50 10 JKGE Brc1cc([C@@H](Br)c2cc3sc(Br)cc3s2)ns1 2252905118 MOGUYMYSBRVWNK-SNVBAGLBSA-N 474.062 6.429 50 10 JKGE CCc1cc([C@H](Br)c2nn(CC)cc2Br)sc1Br 2255977255 XFUMNIHNIAESCP-JTQLQIEISA-N 457.029 5.536 50 10 JKGE CCc1cc(C)sc1[C@H](Br)c1ccc(Cl)c(I)c1 2256335007 FBTNEYPLLRRLAP-CYBMUJFWSA-N 455.586 6.361 50 10 JKGE Fc1cc([C@@H](Br)c2cccc(Cl)c2Br)c(F)cc1Br 2267972539 ZPGIZFGSSORVQF-LBPRGKRZSA-N 475.352 6.628 50 10 JKGE COc1ccc([C@H](Br)C(C)(C)CC(F)(F)F)cc1I 2269547454 UMASWQQQLFKHMO-NSHDSACASA-N 451.064 5.714 50 10 JKGE COc1ccc([C@@H](Cl)c2c(Cl)cccc2Br)cc1I 2269552830 NEQYDGPJKQQRCP-CQSZACIVSA-N 471.947 6.044 50 10 JKGE Fc1cc(Br)c(F)c(Br)c1[C@H](Br)[C@H]1CC12CCCC2 2272733999 KWYUWLNTCQUVSA-RDDDGLTNSA-N 458.966 6.506 50 10 JKGE COc1c(C)cc(C)cc1[C@@H](Br)c1cc(Br)sc1Br 2277912927 XQNVWENJEXEGRG-GFCCVEGCSA-N 469.036 6.383 50 10 JKGE Fc1cccc(I)c1[C@H](Br)c1ccc([C@@H]2CCOC2)s1 2282888797 QASPIGRMLQTJHL-RFAUZJTJSA-N 467.141 5.480 50 10 JKGE C[C@@](CI)(OC1CC2(CC(F)C2)C1)c1ccccc1Br 2286866703 OLWUUBQXGZVNKW-WYDTTWCOSA-N 453.133 5.397 50 10 JKGE CCCC[C@H](C)CC[C@H](Br)c1c(F)cc(Br)c(F)c1Br 2288345830 UPRYVELJWMFLET-UWVGGRQHSA-N 477.025 7.532 50 10 JKGE COC(=O)c1c(NC(=O)c2cc(-c3ccc(F)cc3)nc3ccccc23)sc(C(C)=CC#N)c1C 2296859877 ZBNLVVLCGQUPQF-UHFFFAOYSA-N 485.540 6.377 50 10 JKGE CCOc1cc(C=C(C#N)C(=O)Nc2nc3ccccc3s2)ccc1OCc1ccc(C)cc1 2297500358 LHNRAXAUBLJJLT-UHFFFAOYSA-N 469.566 6.128 50 10 JKGE Brc1ccc(OCc2ccccc2)c([C@@H](Br)[C@H]2C[C@@H]3CC[C@H]2O3)c1 2299530024 HZWDGXBFVMWZMB-SMMRIJLZSA-N 452.186 6.032 50 10 JKGE C[C@@H]1CC[C@H](Cc2ccc(I)c(Br)c2)[C@H](Br)C1 2306198601 CSKUBUPAMPNMBB-YUSALJHKSA-N 472.002 5.796 50 10 JKGE CCOC(=O)C(C#N)=Cc1cc(Br)c(OCc2ccccc2Cl)c(OC)c1 2313521278 CDGWIEMYVRPAFH-UHFFFAOYSA-N 450.716 5.160 50 10 JKGE N#CC(=Cc1cn(-c2ccccc2)nc1-c1ccc2ccccc2c1)c1nc(O)c2ccccc2n1 2314434014 ZXEQWCXCTUAZFU-UHFFFAOYSA-N 465.516 6.405 50 10 JKGE N#CC(=C(O)c1ccc(-c2ccccc2Cl)o1)c1nc(-c2ccc(Br)cc2)cs1 2314457474 LXYQNWPCBJMOQU-UHFFFAOYSA-N 483.774 7.436 50 10 JKGE Brc1cc(OCc2ccccc2)ccc1[C@@H](Br)C1CC2(CCCO2)C1 2314459350 JTRGQJAZKHPXSZ-WJAMPBCPSA-N 466.213 6.423 50 10 JKGE CCc1ccc(N2C(=O)[C@H](Cc3ccc(F)cc3)SC2=C(C#N)C(=O)Nc2ccccc2C)cc1 2314592578 YBCDCTUBVJDUCS-VWLOTQADSA-N 485.584 5.762 50 10 JKGE CCCCCCOc1ccc(C=C2C(=O)N(Cc3ccc(OC)cc3)C(=O)C(C#N)=C2C)cc1OC 2314617436 YIIAMNXMAXBVMA-UHFFFAOYSA-N 488.584 5.455 50 10 JKGE CCCOc1ccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)C=Cc4ccccc4Cl)ccc32)cc1 2314634179 WZOQRRRLSJODGP-HHHXNRCGSA-N 486.955 5.966 50 10 JKGE C=CCOc1cccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)C=Cc4ccccc4)ccc32)c1 2314634773 JZIGIUPIPGUONM-HHHXNRCGSA-N 450.494 5.088 50 10 JKGE Clc1cc(Cl)cc(C[C@@H](Cl)c2sc(Cl)cc2I)c1 2316598725 GWXVGOBKBIFKHC-SECBINFHSA-N 451.971 6.836 50 10 JKGE Cc1sc([C@@H](Cl)c2c(Br)c(Br)nn2C)c(C)c1Br 2316832310 JBZCRKVSTYVORW-QMMMGPOBSA-N 477.447 5.714 50 10 JKGE COc1ccc(C(C#N)=Cc2cccc(OC(=O)c3cccc(Br)c3)c2)cc1OC 2320510942 GGWHRXMOSULVKU-UHFFFAOYSA-N 464.315 5.750 50 10 JKGE CCc1ccc(OCCCC(O)=C(C#N)c2nc(-c3ccc(OC)cc3)cs2)c(Br)c1 2331273611 UMGCCJKDSSGHFL-UHFFFAOYSA-N 499.430 6.795 50 10 JKGE CC(C)Oc1ccc(CC(O)=C(C#N)c2nc(-c3cccc(Br)c3)cs2)cc1 2331276526 KBFFUYLZFCGITK-UHFFFAOYSA-N 455.377 6.395 50 10 JKGE CCOc1ccc(-c2csc(C(C#N)=C(O)c3ccc4c(c3)C(=O)N(Cc3ccco3)C4=O)n2)cc1 2331305912 MDZQLTVSNKQLID-UHFFFAOYSA-N 497.532 5.548 50 10 JKGE CCCOc1ccc(-c2csc(C(C#N)=C(O)[C@H]3CC(=O)N([C@H](C)c4ccccc4)C3)n2)cc1 2331318412 IWTQISBZRQEETD-NQIIRXRSSA-N 473.598 6.001 50 10 JKGE N#CC(=C(O)c1ccc(Cl)c([N+](=O)[O-])c1)c1nc(-c2ccc(Oc3ccccc3)cc2)cs1 2331358923 FQAJBMIMAUROOF-UHFFFAOYSA-N 475.913 7.114 50 10 JKGE COc1c(Cl)cc(Cl)cc1-c1csc(C(C#N)=C(O)[C@@H]2CC(=O)N(C(C)C)C2)n1 2331362663 LEMHOFNIDVSCFX-LLVKDONJSA-N 452.363 5.175 50 10 JKGE Cc1c([N+](=O)[O-])cc(C(O)=C(C#N)c2nc(-c3cc(Cl)ccc3Cl)cs2)cc1[N+](=O)[O-] 2331405583 ZOTNOTQQQNDSSU-UHFFFAOYSA-N 477.285 6.192 50 10 JKGE Cc1ccc(C)c(-c2csc(C(C#N)=Cc3ccccc3OCc3ccccc3Cl)n2)c1 2331445715 FHFIDAZPAWVZLQ-UHFFFAOYSA-N 456.998 7.724 50 10 JKGE COc1ccc(-c2csc(C(C#N)=Cc3cccc(OCc4ccccc4)c3)n2)c2ccccc12 2331490156 XAMGXUMXPHVDQW-UHFFFAOYSA-N 474.585 7.615 50 10 JKGE CCCc1sc(Br)cc1[C@H](Br)c1cn(CC)c(Br)n1 2338025219 FACZAXQMWGQYSD-LBPRGKRZSA-N 471.056 5.926 50 10 JKGE Fc1cc(Cl)c([C@H](Br)c2cc(Br)ccc2Br)c(Cl)c1 2340796333 SUPDZCLDEHTQRO-CYBMUJFWSA-N 491.807 7.142 50 10 JKGE FC(F)(F)[C@@H]1C[C@@H](Br)CCN1Cc1ccc(I)c(Cl)c1 2361423675 LWURXVVYEVKXSH-CABZTGNLSA-N 482.509 5.235 50 10 JKGE Fc1ccc([C@H](Cl)c2c(Cl)cc(Br)c(F)c2Br)c(Cl)c1 2362223441 HVTQGHZCOAXZLB-LBPRGKRZSA-N 465.346 7.125 50 10 JKGE CCC[C@H](C(C)C)[C@H](Br)c1c(C)cc(Br)c(OC)c1Br 2365192676 WXALRQZTZKHAMF-RISCZKNCSA-N 471.071 7.037 50 10 JKGE COc1c(Br)cc(C)c([C@H](Br)C2(C(C)(F)F)CC2)c1Br 2365234363 INIISKQFZULHKX-LBPRGKRZSA-N 476.981 6.400 50 10 JKGE COc1c(Br)cc(C)cc1C[C@@H](Br)c1ccccc1Br 2365238171 NJMDINCCOABWEP-CQSZACIVSA-N 463.007 6.207 50 10 JKGE Cc1sc(Br)c(C)c1[C@H](Br)CCc1cc(Cl)cc(Cl)c1 2366800388 ZRLOSBNPQBNOCB-CYBMUJFWSA-N 457.058 7.503 50 10 JKGE Cc1c(Cl)cccc1N(C(=O)CCl)[C@@H](C(=O)NCCc1ccccc1)c1cccs1 3034973 RMJSQZAMOWFOGU-JOCHJYFZSA-N 461.414 5.382 50 10 JKGE Cc1ccc(N2C(=O)[C@H](Cc3cccc(C)c3)S/C2=C(\C#N)C(=O)NCc2ccccc2)cc1 16739742 BTHDPJFUJIGDIJ-CHTIKVTKSA-N 467.594 5.046 50 10 JKGE CCOC(=O)c1ccc(-c2ccc(/C=C(\C#N)c3nc(-c4cccc5ccccc45)cs3)o2)cc1 28356324 XPKUWQMCRWNETE-CJLVFECKSA-N 476.557 7.464 50 10 JKGE CCCOc1ccc(/C=C(\C#N)C(=O)Nc2scc(-c3ccc(Cl)cc3)c2C(=O)OCC)cc1 33346508 CBVOIPDPVYRLLC-XMHGGMMESA-N 495.000 6.580 50 10 JKGE N#C/C(=C/c1cc(Cl)ccc1OCc1ccc(C(=O)O)cc1)C(=O)Nc1cccc([N+](=O)[O-])c1 33668727 QOCYKSIMDSZJKH-ZDLGFXPLSA-N 477.860 5.071 50 10 JKGE CCc1ccc(NC(=O)/C(C#N)=C\c2cn(Cc3ccc(Cl)cc3)nc2-c2ccc(OC)cc2)cc1 35003790 RFURFCOKKWRGDU-KQWNVCNZSA-N 496.998 6.368 50 10 JKGE CCc1ccc(O[C@H](C)C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@@H]3c2ccc(C(C)C)cc2)cc1 38649635 ICDBDOARLQUDLE-WHLCRQNOSA-N 482.580 5.963 50 10 JKGE CCOc1ccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4ccc(Cl)cc4Cl)ccc32)cc1 38685748 DWQLWFKZFLSHGO-HSZRJFAPSA-N 481.335 5.829 50 10 JKGE N#C/C(=C\c1ccc2noc(-c3ccc(Cl)cc3)c2c1)C(=O)Nc1cc(Cl)ccc1Cl 39884603 VNDNRHYLBQZKCG-OQLLNIDSSA-N 468.727 7.001 50 10 JKGE N#C/C(=C\c1ccc(-c2ccc(Br)cc2)o1)C(=O)Nc1ccc(Cl)c(Cl)c1 39884648 QZYLIDFLMWQFMX-UKTHLTGXSA-N 462.130 6.562 50 10 JKGE O=C(N/N=C/c1c(O)ccc2ccccc12)c1ccc(OCc2ccc(Cl)cc2Cl)cc1 48573448 PPPQUYVHXBLYHK-CCVNUDIWSA-N 465.336 6.195 50 10 JKGE COc1cc(/C=N\NC(=O)CC[C@H](O)c2ccccc2)cc(Cl)c1OCc1ccc(C)cc1 58889863 BKRSJNSNOOUHOQ-PVEGLGLCSA-N 466.965 5.200 50 10 JKGE COc1cc(/C=C(\C#N)C(=O)N2CCN(c3ccccc3)CC2)ccc1OCc1ccccc1Cl 59676605 RRVSMAPDNYGIKX-HAVVHWLPSA-N 487.987 5.183 50 10 JKGE COc1c(Cl)cc(/C=N/NC(=O)c2ccc(-n3c(C)ccc3-c3ccccc3)cc2)cc1Cl 59679900 SWVMZXFHSJSAFY-MUFRIFMGSA-N 478.379 6.532 50 10 JKGE Fc1cc(Br)c(Cl)cc1[C@@H](Br)c1cc2c(s1)CCSC2 97896029 ZTEBYKXUJMGIOO-CQSZACIVSA-N 456.627 6.577 50 10 JKGE CCOc1ccc([C@H](C(=O)NC2CCCCCC2)N(Cc2cccs2)C(=O)CCl)cc1OC 97914933 MRXYFIWBLNLAST-XMMPIXPASA-N 493.069 5.303 50 10 JKGE C=CCNC(=O)/C(C#N)=C1\S[C@H](Cc2ccc(Cl)c(Cl)c2)C(=O)N1c1ccc(CC)cc1 101241481 GSQOXRNJYCAOSL-AXVPLRHPSA-N 486.424 5.284 50 10 JKGE C[C@H]1CCc2c(sc3ncnc(SCC(=O)/C(C#N)=C4/Nc5ccccc5S4)c23)C1 103908319 BYXYQKIGOWMSSL-SXPRPLFSSA-N 450.614 5.430 50 10 JKGE COc1ccc([C@@H](Br)c2cc(F)cc(Br)c2)cc1Br 109833784 SOSRCKQAFSTYCW-CQSZACIVSA-N 452.943 5.844 50 10 JKGE Fc1ccc([C@H](Br)c2cc(Br)ccc2Br)cc1C(F)(F)F 109844308 CUJRLDXTKYIICQ-ZDUSSCGKSA-N 490.914 6.854 50 10 JKGE ClCC(CCl)(Cc1ccc(Br)cc1Cl)c1cccc(Br)c1 168966754 BJZQHLCKJBOFPN-UHFFFAOYSA-N 471.447 6.823 50 10 JKGE CCCCCCOc1ccc(/C=C(/C#N)C(=O)Nc2nc(-c3ccc(C)cc3)cs2)cc1OC 206245312 RJZBPCRJZZETQX-JCMHNJIXSA-N 475.614 6.632 50 10 JKGE CCOc1cc(/C=C(/C#N)C(=O)Nc2cccc3ccccc23)ccc1OC(=O)c1ccc(OC)cc1 207153390 ZIXYFOBVCYICLL-QJOMJCCJSA-N 492.531 6.012 50 10 JKGE CCCN1C(=O)C(C#N)=C(C)/C(=C/c2cn(-c3ccccc3)nc2-c2ccc(OC(C)C)cc2)C1=O 214218020 NHJLCBOIIYOKCG-XYGWBWBKSA-N 480.568 5.329 50 10 JKGE CCCOc1cccc(-c2nn(-c3ccccc3)cc2/C=C2\C(=O)N(CC(C)C)C(=O)C(C#N)=C2C)c1 214273493 XPIMPUCLMQRXKM-QQXSKIMKSA-N 494.595 5.576 50 10 JKGE Cc1cccc(C)c1CC(CBr)(CBr)c1ccc(Br)cc1 215503014 XSVPZILAAYYFBS-UHFFFAOYSA-N 475.062 6.336 50 10 JKGE Clc1c(Br)cccc1[C@H](Br)Cc1ccc(Br)cc1 228457502 JBAZNXKGCRTWDY-CYBMUJFWSA-N 453.399 6.544 50 10 JKGE COc1ccc([C@H](Br)c2cc(Br)cc(Br)c2)cc1F 234991822 LDMLHACAZHMNAA-AWEZNQCLSA-N 452.943 5.844 50 10 JKGE Fc1ccc([C@H](Br)c2cc(Cl)ccc2Br)cc1Br 236246094 REAZQQXSXIBQJH-ZDUSSCGKSA-N 457.362 6.488 50 10 JKGE 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@@]12C 254341186 IZWHBFBYKQEQAB-RFENJDTKSA-N 467.576 7.842 50 10 JKGE CCCCCCCCCCCCCCCCCC(=O)NN=Cc1c(O)ccc2ccccc12 254397515 CNMJNXJQAALXNM-UHFFFAOYSA-N 452.683 8.257 50 10 JKGE CC(=NNC(=O)[C@@H](C)Oc1ccc(Cl)cc1C)c1ccc(NC(=O)c2cccs2)cc1 254402447 JZXVAWCQHJEAEI-MRXNPFEDSA-N 455.967 5.270 50 10 JKGE CC1(C)[C@H]2CC[C@]1(C)C(=NNC(=O)c1cc3n(n1)[C@H](C(F)(F)F)C[C@H](c1ccc(F)cc1)N3)C2 254482813 FBMLHCJNVNTSAR-YISGMLETSA-N 477.506 5.615 50 10 JKGE CC(=NNC(=O)c1ccc(CSc2nc(C)cc(C)n2)cc1)c1ccccc1OC(F)F 254823492 LGFAJLYGCISWOD-UHFFFAOYSA-N 456.518 5.141 50 10 JKGE Cc1ccc(COc2ccccc2C=NNC(=O)CSc2nnc(-c3ccccc3)s2)cc1 256028393 JMNUYHWVZJAJPP-UHFFFAOYSA-N 474.611 5.335 50 10 JKGE C[C@H](Br)C[C@H]1CCCCN1C(=O)c1cc(Br)sc1Br 302603764 LPLSMUYZBGFZEQ-DTWKUNHWSA-N 474.056 5.441 50 10 JKGE C[C@H]1CN(Cc2ccccc2)C[C@H]1n1c(CCCl)nc2cc(Br)c(F)cc21 389869952 OZFXFSIZDRAHTG-VBKZILBWSA-N 450.783 5.412 50 10 JKGE C[C@@H]1[C@@H](C)N(Cc2ccccc2)[C@H](C)CN1c1cccc(Br)c1CBr 404295827 XEUVQICBWJIDEC-BRWVUGGUSA-N 466.261 5.832 50 10 JKGE ClC[C@@H](Cc1cc(Cl)ccc1I)c1ccc(Br)cc1 405535848 OVXKXOZZQIGZHE-GFCCVEGCSA-N 469.975 6.272 50 10 JKGE 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 504051082 PRYJZWFEVZHKQI-NJTWYXFDSA-N 477.173 8.857 50 10 JKGE COc1cccc([C@@H](Br)c2cc(Br)c(Br)s2)c1C 691174077 YBYQYEFUCIWGEE-GFCCVEGCSA-N 455.009 6.074 50 10 JKGE Cl[C@@H](c1cc2c(cc1Br)OCC2)c1scc(Br)c1Br 707812374 CJFQHLGYCUWIHA-LBPRGKRZSA-N 487.438 6.299 50 10 JKGE CCOc1cc(/C=C(\C#N)C(=O)Nc2ccccc2)ccc1OCc1c(Cl)cccc1Cl 1083918169 OQPYBSHPEBTBHD-QGOAFFKASA-N 467.352 6.517 50 10 JKGE COc1cc(/C=C(/C#N)C(=O)Nc2cccc(Cl)c2C)ccc1OCc1ccccc1Cl 1084156213 JHAQEEYPQBFIAS-UNOMPAQXSA-N 467.352 6.435 50 10 JKGE CCCc1nn(Cc2ccc(Cl)c(Cl)c2)c2c1[C@@H](c1ccc(OC)c(O)c1)C(C#N)=C(N)O2 1865682856 YYSWAUQEVWMROX-NRFANRHFSA-N 485.371 5.123 50 10 JKGE N#CC1=C(N)Oc2c(c(-c3ccccc3)nn2Cc2ccc(F)cc2)[C@@H]1c1cccc(Cl)c1 1865683098 FYMFFIYBBFBNDN-JOCHJYFZSA-N 456.908 5.609 50 10 JKGE CCCCOc1ccc([C@@H]2C(C#N)=C(N)Oc3c2c(CC)nn3-c2cccc3ccccc23)cc1 1865689674 CGIWLJXVNVTSFQ-AREMUKBSSA-N 464.569 5.985 50 10 JKGE CCCOc1cccc([C@@H]2C(C#N)=C(N)Oc3c2c(CCC)nn3-c2cccc3ccccc23)c1 1865692457 BNWQBCSHBKKKNR-AREMUKBSSA-N 464.569 5.985 50 10 JKGE CCCOc1ccccc1[C@H]1C(C#N)=C(N)Oc2c1c(-c1ccccc1)nn2-c1ccc(OC)cc1 1865702737 CYMNLNJHAMKAKR-VWLOTQADSA-N 478.552 5.555 50 10 JKGE CCOc1cc([C@@H]2C(C#N)=C(N)Oc3c2c(C)nn3CC(C)C)ccc1OCc1ccccc1C 1865702994 KHGLPCIFOSXNRS-AREMUKBSSA-N 472.589 5.352 50 10 JKGE CCCOc1ccccc1[C@@H]1C(C#N)=C(N)Oc2c1c(CCC)nn2-c1ccc(Br)cc1 1865703738 DLBFJQLYZDHPLJ-JOCHJYFZSA-N 493.405 5.594 50 10 JKGE Cc1nn(Cc2ccccc2)c2c1[C@@H](c1ccc(OCc3ccccc3Cl)cc1)C(C#N)=C(N)O2 1865704375 UNDWOBQYJLNPIE-SANMLTNESA-N 482.971 5.690 50 10 JKGE CCC[C@@H](NC(=O)CC(c1ccc(F)cc1)c1ccc(F)cc1)C(=O)Nc1ccc(SC#N)cc1 1866757267 MOOAEVNLTIAXKY-RUZDIDTESA-N 493.579 5.984 50 10 JKGE COc1ccc2c(c1)C[C@@H](C)CN2c1cc(Nc2ccc(SC#N)cc2)nc(-c2ccc(F)cc2)n1 1868457073 YUPRALXRWAKGOG-GOSISDBHSA-N 497.599 6.938 50 10 JKGE Cc1c(/C(O)=C(\C#N)c2nc(-c3ccc(Cl)c(Cl)c3)cs2)cc([N+](=O)[O-])cc1[N+](=O)[O-] 1872749525 VMNDMZDXKBNBJH-AQTBWJFISA-N 477.285 6.192 50 10 JKGE Cc1ccc(-c2csc(/C(C#N)=C(\O)c3ccc4c(c3)C(=O)N(c3cc(C)ccc3C)C4=O)n2)cc1 1872749578 XXWHJNLDDWUKST-RWEWTDSWSA-N 491.572 6.486 50 10 JKGE CCc1ccc(OCCC/C(O)=C(\C#N)c2nc(-c3cc(C)ccc3C)cs2)c(Br)c1 1872749709 DLEJEQNRNNZNPK-ATJXCDBQSA-N 497.458 7.404 50 10 JKGE COc1c(Cl)cc(Cl)cc1-c1csc(/C(C#N)=C(O)/C=C/c2cccc([N+](=O)[O-])c2)n1 1872754502 VZXHZEFCERTSMI-XMVZJSJNSA-N 474.325 6.540 50 10 JKGE COc1c(C)cc(C)cc1-c1csc(/C(C#N)=C(\O)[C@H]2CC(=O)N(Cc3ccccc3)C2)n1 1872755007 UJXYBHMDAOBMNH-SWAHWVACSA-N 459.571 5.277 50 10 JKGE CCOc1ccc(-c2csc(/C(C#N)=C(\O)[C@@H](C)N3C(=O)c4ccccc4C3=O)n2)c(OCC)c1 1872755314 HYTUVFVSFUTLEC-LYLVPTPKSA-N 489.553 5.085 50 10 JKGE COc1ccc(-c2csc(/C(C#N)=C(\O)C(c3ccccc3)c3ccccc3)n2)cc1Cl 1872757448 GROMVRCYAHDXJI-QQTULTPQSA-N 458.970 7.097 50 10 JKGE CCOc1cc(/C=C(\C#N)c2nc(-c3ccc(F)c(C)c3)cs2)cc(Br)c1O 1872790925 LWWZZTUSJGGQFN-VIZOYTHASA-N 459.340 6.189 50 10 JKGE COc1ccc(OC)c(-c2csc(/C(C#N)=C(O)/C=C/c3ccc(OCc4ccccc4)cc3)n2)c1 1873920464 GHFIJUKALREFHD-JITMPZCVSA-N 496.588 6.912 50 10 JKGE CCc1nn(C)c([C@H](Br)c2cc(Br)sc2CC)c1Br 1877186051 MPJWPBQVOQTMJW-LLVKDONJSA-N 471.056 5.616 50 10 JKGE C[C@H]1OCC[C@@H]1CCOc1c(Br)cc(CBr)cc1Br 1885698099 ZAIXZBZIEWZJDD-MWLCHTKSSA-N 457.000 5.300 50 10 JKGE O=C1c2ccccc2C(=O)N1C[C@@H](Br)CCc1ccc(Br)cc1Cl 1905341705 CZWBOKMGBIQVCB-ZDUSSCGKSA-N 471.576 5.095 50 10 JKGE C[C@H](CCBr)N(Cc1ccccc1)C(=O)c1cccc(OCc2ccccc2)c1 1915091144 TZRGLJDMQXXHFE-HXUWFJFHSA-N 452.392 6.082 50 10 JKGE CC[C@@H](Br)CN(Cc1ccccc1)C(=O)c1ccc(Br)cc1OC 1915091607 ZLKQHELLDSBOPZ-OAHLLOKOSA-N 455.190 5.274 50 10 JKGE CC[C@@H](Br)CN(Cc1ccccc1)C(=O)c1cccc(OCc2ccccc2)c1 1915098782 LJVSZWQBHKKBLL-HSZRJFAPSA-N 452.392 6.082 50 10 JKGE CC(C)[C@H](CBr)N(Cc1ccccc1)C(=O)Cc1ccc(Br)cc1F 1915258180 VCLPFARRVDRBPB-IBGZPJMESA-N 471.208 5.579 50 10 JKGE CC(C)[C@@H](CBr)N(Cc1ccccc1)Cc1ccc(Br)c(F)c1F 1915290523 FGRPPJXEMJPHMQ-QGZVFWFLSA-N 461.188 6.149 50 10 JKGE CC(C)[C@@H](CBr)N(Cc1ccccc1)C(=O)c1ccc(Br)cc1Cl 1915297147 COHHXMSIAIIOMW-GOSISDBHSA-N 473.636 6.164 50 10 JKGE CN(C[C@@H](Br)COCc1ccccc1)C(=O)c1ccc(Br)c(Cl)c1 1916383572 LPLROBCXCKBFDQ-OAHLLOKOSA-N 475.608 5.155 50 10 JKGE FC(F)(F)CC1([C@@H](Cl)c2c(Br)sc(Br)c2Cl)CCC1 1923054694 IZUNGSZXBAKZPP-ZETCQYMHSA-N 460.968 7.329 50 10 JKGE COC[C@]1([C@H](Br)c2c(Br)sc(Br)c2Cl)CCCO1 1923067460 CUQHRYFMIVGMKJ-KCJUWKMLSA-N 483.447 5.558 50 10 JKGE Clc1c(Br)sc(Br)c1[C@H](Br)C(C1CC1)C1CC1 1923072997 TTXRORMBNSQMTF-SECBINFHSA-N 463.460 6.799 50 10 JKGE COc1ccc([C@H](Br)[C@@H](C)c2ccncc2Br)cc1Br 1924039158 HZPQWGXJOAMQME-BJOHPYRUSA-N 463.995 5.855 50 10 JKGE Cl[C@H](c1c(Br)sc(Br)c1Br)[C@@H]1Cc2ccccc21 1924586523 YUWNJKYVYIZRGW-KCJUWKMLSA-N 471.439 6.655 50 10 JKGE CC(C)C[C@@H](C)[C@@H](Cl)c1c(Br)sc(Br)c1Br 1924612478 MFCMQIKGOCRLJV-HZGVNTEJSA-N 453.465 6.998 50 10 JKGE CC1(C)C[C@@H]1C[C@H](Br)c1c(Br)sc(Br)c1Br 1924616632 RCUQFYNPBAEWEC-WDSKDSINSA-N 495.900 6.908 50 10 JKGE Cc1csc([C@@H](Cl)c2cc(Br)sc2Br)c1Br 1939883400 FYKMEAGHVOZDLP-QMMMGPOBSA-N 465.457 6.734 50 10 JKGE Cc1cc([C@H](Cl)c2c(Br)cccc2Br)sc1Br 1945323236 QQQMRVDOGMJAAW-NSHDSACASA-N 459.428 6.672 50 10 JKGE Clc1csc([C@H](Br)c2cc(Br)ccc2Br)c1Cl 1947136463 KCCXHAYLANVHFK-SECBINFHSA-N 479.846 7.064 50 10 JKGE Cc1ccc([C@H](Br)c2sc(Cl)cc2Br)cc1Br 1948829549 UWZXVBLQWMZPFK-NSHDSACASA-N 459.428 6.719 50 10 JKGE Cl[C@H](c1c(Br)sc(Br)c1Br)[C@H]1CC2(CCC2)CO1 2047664265 MHZOZFFAMYKUTN-MUWHJKNJSA-N 479.459 6.275 50 10 JKGE N#CC(=Cc1c(OC(=O)c2cccc([N+](=O)[O-])c2)ccc2ccccc12)c1nnc2n1CCCCC2 2053510529 HFGYJWZLFRHTQM-UHFFFAOYSA-N 479.496 5.349 50 10 JKGE CC(C)[C@@H]1CCC[C@@H]1[C@@H](Cl)c1c(Br)sc(Br)c1Br 2056445945 CGVBRTJMZXHITE-DKCNOQQISA-N 479.503 7.388 50 10 JKGE Fc1cc(Br)c([C@@H](Br)c2ccc(Br)s2)c(F)c1Cl 2081844776 PJBIOAADXYCQDW-VIFPVBQESA-N 481.381 6.689 50 10 JKGE Cc1cc([C@@H](Cl)c2ccc(Br)c(C)c2Br)oc1Br 2083312197 QPIJMQVRZNGOJG-LBPRGKRZSA-N 457.387 6.512 50 10 JKGE Clc1cc(Br)cc([C@@H](Cl)c2ccc(Br)cc2Br)c1 2083329747 HBZRBMIFCCQNLD-CYBMUJFWSA-N 473.817 6.956 50 10 JKGE FC(F)(F)COCC[C@H](Br)c1ccc(Br)cc1Br 2083336531 AVTRMBWLUWXLIS-VIFPVBQESA-N 454.906 5.617 50 10 JKGE COc1cc(Br)c(C)cc1[C@@H](Br)c1ccc(OCc2ccccc2)cc1 2089723093 PKKZLYMGJDRXFO-QFIPXVFZSA-N 476.208 6.829 50 10 JKGE C[C@@H]1Cc2cc([C@H](Cl)c3csc(I)c3)cc(Br)c2O1 2090470206 LROWCNPEWDIAQH-UHLUBPPHSA-N 469.569 5.767 50 10 JKGE FC1(F)CC2(CC([C@H](Br)c3c(Br)sc(Br)c3Cl)C2)C1 2102620090 NWJYCOSIMBIQIS-ZETCQYMHSA-N 499.440 7.188 50 10 JKGE FC1(F)[C@H]2C[C@@](CBr)(Cc3cccc(Br)c3Br)C[C@H]21 2107644758 HLARRMNRJDPYMF-DDFAGTSDSA-N 458.966 5.811 50 10 JKGE Clc1cccc(OCc2cc(Br)ccc2Br)c1CBr 2118520539 VUDDYZHTIQMRNQ-UHFFFAOYSA-N 469.398 6.339 50 10 JKGE CCCc1nc(Br)c(Br)n1Cc1ccc(CBr)cc1 2126472641 XAAGXLXXGUBLKP-UHFFFAOYSA-N 451.000 5.304 50 10 JKGE Cc1cc(Cl)c(Br)cc1[C@H](Br)c1cccc(Br)c1Cl 2137643113 OWXKFGGKAVWJIV-CYBMUJFWSA-N 487.844 7.311 50 10 JKGE Cc1cc(F)ccc1[C@@H](Br)c1ccc(Br)c(C)c1Br 2138876071 LWKWNNXPHWLZJY-OAHLLOKOSA-N 450.971 6.452 50 10 JKGE Cc1c(Br)cccc1COc1c(Br)cc(CCl)cc1Br 2143690506 CJVLVEAOHCNZOH-UHFFFAOYSA-N 483.425 6.600 50 10 JKGE Cc1cc(Br)cc([C@@H](Br)c2cc(Br)c3c(c2)CCO3)c1 2146625573 AXNCBXGIVIKESV-OAHLLOKOSA-N 460.991 5.939 50 10 JKGE CC[C@](C)(Cn1c(CCl)nc2cc(F)c(Br)cc21)N(C)Cc1ccccc1 2155094604 NZAOJEATKKBUOE-OAQYLSRUSA-N 452.799 5.977 50 10 JKGE CC12CC([C@H](Br)c3cc(Br)ccc3Br)(C1)C1(CCC1)O2 2157464158 KGXNHVPDNUDMEI-WLYUNCDWSA-N 465.023 6.139 50 10 JKGE COc1ccc(C)c([C@@H](Br)c2cc(Br)c(C)cc2Br)c1 2165862415 XYCRSGGLGBDGFR-MRXNPFEDSA-N 463.007 6.321 50 10 JKGE Cc1c(Br)sc([C@H](Cl)C23CC(C2)[C@H](C(F)(F)F)O3)c1Br 2193094785 ROVNOASFOPMJMT-JUCNRWDMSA-N 454.533 5.971 50 10 JKGE C[C@@H]1CCC[C@H](O[C@@](C)(CI)c2ccccc2Br)[C@@H]1C 2201017299 NVHQJFIKBWYTFS-OMNBBPDLSA-N 451.186 5.941 50 10 JKGE Cc1cc(Br)c(C)c([C@@H](Br)[C@@H]2CC[C@H]3C[C@H]3CC2)c1Br 2201065898 VECQRNUPBMOSKT-LKQDWFRTSA-N 465.067 7.091 50 10 JKGE Cc1cc(Br)c(C)c([C@H](Br)[C@@H]2C[C@@H]3CCC[C@@H]3C2)c1Br 2201070452 BPYMZQKWPWPAMQ-ZOPJHEKZSA-N 465.067 7.091 50 10 JKGE Cc1cc(Br)c(C)c([C@@H](Br)c2cccc(Cl)c2C)c1Br 2201072746 VZESICZAWNPMCS-INIZCTEOSA-N 481.453 7.275 50 10 JKGE Cc1ccc(I)c([C@H](Br)c2cc(Br)c(C)s2)c1 2217421162 QRBRXUIOJPWXDM-ZDUSSCGKSA-N 486.010 6.216 50 10 JKGE Cc1cc(Br)c([C@H](Br)c2ccccc2OCc2ccccc2)c(C)c1Cl 2224321623 MIRIFRYBPIHCMR-OAQYLSRUSA-N 494.654 7.783 50 10 JKGE Cc1ccc(Br)cc1[C@H](Cl)c1cc(Br)c(Br)cc1F 2225633843 LSFMEPYQXXQUPM-AWEZNQCLSA-N 471.389 6.750 50 10 JKGE Cc1c(Br)csc1[C@@H](Br)c1cc(Br)cc2c1O[C@@H](C)C2 2234515696 WXJKNNOPQMIAFE-CPFSXVBKSA-N 481.047 6.389 50 10 JKGE Cc1cc(Br)c([C@H](Br)[C@H](CC(C)C)C(C)C)c(C)c1Br 2235613893 CAKOKTLJAHPJBE-CXAGYDPISA-N 469.099 7.583 50 10 JKGE C[C@@H]1C[C@H]1CCCCOC1(CI)CCN(C(=O)OC(C)(C)C)CC1 2248459917 CUUCECLROMBSKG-HZPDHXFCSA-N 451.389 5.034 50 10 JKGE Cc1cc(Br)c([C@@H](Br)c2cocc2Br)cc1Br 2249414130 PXRJMAVQEWTOKY-GFCCVEGCSA-N 487.811 6.360 50 10 JKGE Cc1cccc(Br)c1[C@@H](Br)c1sc(C)c(C)c1Br 2253503767 GVOMXZQIXJDHSX-CYBMUJFWSA-N 453.037 6.683 50 10 JKGE COc1c([C@H](Br)c2sccc2Br)cc(Br)c(C)c1C 2269169626 UBEVYLXRUOETSK-LBPRGKRZSA-N 469.036 6.383 50 10 JKGE C[C@]1(C(F)(F)F)C[C@@H]1[C@@H](Br)Cc1cc(Br)cc(Br)c1 2277966146 QNFQCRUQPNPBHU-WOPDTQHZSA-N 464.945 6.106 50 10 JKGE COc1c(Br)cc(Cl)c(C)c1[C@H](Br)c1cc(Cl)c(Cl)s1 2295265353 QIMBXPFRWUAQJT-LLVKDONJSA-N 479.448 7.272 50 10 JKGE FC1(F)C[C@@H]([C@H](Br)Cc2cc(Br)cc(Br)c2)C12CCC2 2295331787 OAHPZRAFWSFOAU-QWHCGFSZSA-N 472.993 6.343 50 10 JKGE CCOC(=O)c1c(-c2ccccc2)csc1NC(=O)C(C#N)=Cc1ccc(-c2ccccc2)o1 2296833304 VQIVJWQQOBBSJD-UHFFFAOYSA-N 468.534 6.397 50 10 JKGE N#CC1=C(N)OC2=C(CCCC2=Cc2ccc(Br)cc2)[C@H]1c1ccc(Br)cc1 2297109855 JBVAZYLNOKGSLO-OAQYLSRUSA-N 498.218 6.541 50 10 JKGE CC1([C@H](Br)c2cc(Br)ccc2OCc2ccccc2)CC(F)(F)C1 2299501953 SIZJCIPQKFQQQN-QGZVFWFLSA-N 460.156 6.900 50 10 JKGE COc1c([C@@H](Br)c2sc(Cl)cc2I)csc1C 2300955408 LVCWFLNITYCXND-SECBINFHSA-N 463.587 5.869 50 10 JKGE Brc1cc(CC[C@@H](Br)c2cccs2)ccc1I 2306216535 HGRBOBMFSNIGNN-SNVBAGLBSA-N 486.010 6.184 50 10 JKGE FC1(F)[C@@H]2CC[C@@H]([C@@H](Cl)c3c(Br)sc(Br)c3Br)[C@@H]21 2308642213 FEZVEOQXXXOKSK-SYNDLVNGSA-N 485.413 6.607 50 10 JKGE Brc1cc(Br)c([C@H](Br)[C@H]2OC[C@@H]3CCCC[C@H]23)s1 2312253849 FKIASHMQDJEPQN-MMSPYSMKSA-N 459.041 5.914 50 10 JKGE FC1(F)CCC([C@H](Br)c2ccc(OCc3ccccc3)cc2Br)CC1 2314443073 FPBYPQUCQAGVGD-IBGZPJMESA-N 474.183 7.290 50 10 JKGE Cc1cccc(C)c1[C@H](Br)c1ccc(OCc2ccccc2)cc1Br 2314500117 KBPOEWDSRVFYLW-JOCHJYFZSA-N 460.209 7.129 50 10 JKGE CC(C)c1ccc(N2C(=O)[C@@H](Cc3ccccc3F)SC2=C(C#N)C(=O)Nc2ccccc2)cc1 2314593651 QLHUUIBWHQJKNA-RUZDIDTESA-N 485.584 6.014 50 10 JKGE CCOc1ccc(-c2c(C)sc(NC(=O)C(C#N)=Cc3ccc(OC)cc3)c2C(=O)OC)cc1 2314754445 SGEQNOWFGNDURG-UHFFFAOYSA-N 476.554 5.463 50 10 JKGE Cc1cc(Br)c(F)c(Br)c1[C@@H](Br)c1cscc1Cl 2317400340 NDVXMYLGNCQQEW-JTQLQIEISA-N 477.418 6.858 50 10 JKGE COc1ccc(-c2ccc(C(=O)NN=Cc3cccc(OCc4ccccc4)c3)c(C)n2)cc1 2321218415 FGQZHBVKZFYGIB-UHFFFAOYSA-N 451.526 5.409 50 10 JKGE N#CC(=CNc1ccc(Nc2ccccc2)cc1)C(=O)Nc1ccc(Cl)c(C(F)(F)F)c1 2325383024 JONJAVDMXIWKTB-UHFFFAOYSA-N 456.855 6.560 50 10 JKGE COc1cc2nc(C(C#N)=Cc3ccc(OCc4c(F)cccc4Cl)cc3)nc(O)c2cc1OC 2331042713 ZGVUHRGCYJJCPW-UHFFFAOYSA-N 491.906 5.788 50 10 JKGE CCOc1cc(C(O)=C(C#N)c2nc(-c3ccc(CC)cc3)cs2)cc(OCC)c1OCC 2331245497 SEWLUZKCHLEJGX-UHFFFAOYSA-N 464.587 6.518 50 10 JKGE CC(C)C[C@@H](C(O)=C(C#N)c1nc(-c2ccc(Cl)cc2)cs1)N1C(=O)c2ccccc2C1=O 2331295841 JYOLLZBPZTXXBJ-NRFANRHFSA-N 477.973 5.967 50 10 JKGE N#CC(=C(O)C=Cc1ccc(OCc2ccccc2Cl)cc1)c1nc(-c2ccccc2)cs1 2331301126 ZXACIBZNXQDWGN-UHFFFAOYSA-N 470.981 7.549 50 10 JKGE CCCOc1ccc(-c2csc(C(C#N)=C(O)c3ccc4c(c3)C(=O)N(C(C)(C)C)C4=O)n2)cc1 2331318401 HWVZNANPCWVCMI-UHFFFAOYSA-N 487.581 5.943 50 10 JKGE CCOc1ccc(CCC(O)=C(C#N)c2nc(-c3ccc(Oc4ccccc4)cc3)cs2)cc1OC 2331360135 HEYCOLIRIKCPGL-UHFFFAOYSA-N 498.604 7.435 50 10 JKGE CCOc1ccc(-c2csc(C(C#N)=C(O)C=Cc3ccc(C(=O)OC)cc3)n2)c(OCC)c1 2331389054 MAMNYHMTLYWCLU-UHFFFAOYSA-N 476.554 5.900 50 10 JKGE Cc1ccccc1COc1ccc(C=C(C#N)c2nc(-c3ccc(C(C)C)cc3)cs2)cc1 2331457869 QLTBMBISLGETAR-UHFFFAOYSA-N 450.607 7.885 50 10 JKGE CCCCCCCOc1ccc(-c2csc(C(C#N)=Cc3cccc(OC)c3OCC)n2)cc1 2331459612 AIEYGYUNKDEMJE-UHFFFAOYSA-N 476.642 7.631 50 10 JKGE N#CC(=Cc1ccc(OCc2ccc(Cl)cc2)cc1)c1nc(-c2ccc(F)c(F)c2)cs1 2331463937 GOWBVYCRUJXIRM-UHFFFAOYSA-N 464.924 7.385 50 10 JKGE CC[C@](C)(C(F)F)[C@H](Br)c1c(Cl)cc(Br)c(F)c1Br 2337089016 SUEPSPNXVQVCAL-PWSUYJOCSA-N 487.379 7.122 50 10 JKGE Fc1cccc([C@H](Br)c2c(F)cc(Cl)c(Br)c2Cl)c1Cl 2360427470 VPDUBTFZEYGCOA-JTQLQIEISA-N 465.346 7.172 50 10 JKGE FCCOc1ccc([C@@H](Br)c2ccc(OCc3ccccc3)cc2Br)cc1 2361172563 PLGGQMYEBDGHBZ-JOCHJYFZSA-N 494.198 6.861 50 10 JKGE COc1cc(COc2cc(Br)ccc2CBr)c(Br)cn1 2362089138 UJSWUALDFQVDBO-UHFFFAOYSA-N 465.967 5.089 50 10 JKGE COC1(C[C@H](Br)c2c(Cl)cc(Br)c(F)c2Br)CCCC1 2362230049 XBIMWYSJOYBQCN-VIFPVBQESA-N 493.436 6.789 50 10 JKGE Fc1c(Br)cc(Cl)c([C@H](Br)C2CC(CC3CC3)C2)c1Br 2362234920 JKDYONNPCSIBTC-KJHLLKJSSA-N 489.448 7.266 50 10 JKGE Cc1cc(Br)c(F)c(Br)c1[C@@H](Br)C1(C)C(C)(C)C1(C)C 2365220595 WRSCMMUFPVPTET-CYBMUJFWSA-N 471.046 7.167 50 10 JKGE Clc1ccc(C[C@H](CBr)Cc2ccc(Cl)cc2I)cc1 2366714418 ILTPDJUMVYCULZ-LBPRGKRZSA-N 484.002 6.394 50 10 JKGE Cc1ccccc1C[C@@H](CCl)Cc1ccc(I)c(Br)c1 2377352818 MRZJMBZXXOUPRW-AWEZNQCLSA-N 463.584 6.002 50 10 JKGE FC(F)(F)CC1CCC([C@H](Cl)c2cc(Br)sc2Br)CC1 2381925849 WRRUTACRBBSKHO-AYVLWNQUSA-N 454.577 7.312 50 10 JKGE CCSc1ccsc1[C@@H]1C(C#N)=C(N)N(c2c(F)cccc2F)C2=C1C(=O)CC(C)(C)C2 9982395 VMBNIYSTABPKLD-LJQANCHMSA-N 471.598 6.079 50 10 JKGE CC(C)c1ccc(C(=O)NNC(=O)c2ccc(NC(=O)c3ccc(C(C)(C)C)cc3)cc2)cc1 10452010 QEMHEEBFVKXKGH-UHFFFAOYSA-N 457.574 5.435 50 10 JKGE CC[C@H](Oc1cccc(C)c1)C(=O)NNC(=O)c1ccc(NC(=O)c2ccc(C(C)(C)C)cc2)cc1 14023367 XAQPCEHZRMVZRN-VWLOTQADSA-N 487.600 5.163 50 10 JKGE CC(C)CCOc1ccccc1C(=O)NNC(=O)CCCOc1ccc(Cl)cc1Cl 14033700 ITZUNCCAMPEQKC-UHFFFAOYSA-N 453.366 5.039 50 10 JKGE COc1cccc(/C=N/NC(=O)CSc2ccc(Cl)cc2)c1OCc1c(F)cccc1Cl 20274611 ARGFSKXQCOKDLA-KKMKTNMSSA-N 493.387 5.963 50 10 JKGE CCCCCCCCCCCCN1C=C/C(=C/C=C(\C#N)C(=O)ONc2ccccc2)c2ccccc21 33353844 LJVNKJKCJVNXSE-KKTFQPMKSA-N 497.683 8.345 50 10 JKGE CCN(CC)c1ccc(/C=C(/C#N)c2nc3ccccc3[nH]2)c(OCc2ccc(Cl)cc2Cl)c1 33396119 JPUQPJJJWXTEGN-MOSHPQCFSA-N 491.422 7.359 50 10 JKGE CCCCOc1ccc(-c2nn(-c3ccccc3)cc2/C=C(\C#N)c2nc3ccccc3s2)cc1 33437626 ISTMWAOBXSTCIH-RELWKKBWSA-N 476.605 7.392 50 10 JKGE COc1cccc2cc(-c3nn(-c4ccccc4)cc3/C=C(\C#N)C(=O)N[C@H](C)c3ccccc3)oc12 33515899 VMHKMWWFQYUCTR-OGTCDWKQSA-N 488.547 6.078 50 10 JKGE N#C/C(=C/c1ccc(OCc2ccc(Cl)cc2)c(Br)c1)c1nc2ccccc2s1 34871382 XDERAKHZESUDLY-BOPFTXTBSA-N 481.802 7.355 50 10 JKGE CC(C)(C)c1ccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4ccc(Cl)cc4)ccc32)cc1 38649704 VIJCXUNOJXZFPI-DEOSSOPVSA-N 458.945 6.075 50 10 JKGE N#CC1=C(N)Oc2cc(OC(=O)COc3ccc(Cl)cc3)ccc2[C@@H]1c1ccc(Cl)cc1 38651302 ZBGFWVKCJIXSSB-QHCPKHFHSA-N 467.308 5.196 50 10 JKGE CCCCOc1ccccc1C(=O)Oc1ccc2c(c1)OC(N)=C(C#N)[C@@H]2c1ccc(SC)cc1 38682588 NLNLIFQMRSSWQM-AREMUKBSSA-N 486.593 6.025 50 10 JKGE CCCCOc1ccccc1[C@@H]1C(C#N)=C(N)Oc2cc(OC(=O)c3ccccc3C)ccc21 38682648 AKYXKZWVLRBUGJ-SANMLTNESA-N 454.526 5.611 50 10 JKGE CCCCC1CCC(C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@H]3c2ccc(Cl)cc2)CC1 38687823 ITLJIPUXPBGOCG-HGEUABKPSA-N 464.993 6.460 50 10 JKGE Cc1cc(C)c2c(C)c(C(=O)Oc3ccc4c(c3)OC(N)=C(C#N)[C@@H]4c3cccc(F)c3)oc2c1 38700502 OOLCFZVEWWLMCP-RUZDIDTESA-N 468.484 5.935 50 10 JKGE Cc1ccc(Oc2nc3c(C)cccn3c(=O)c2/C=C(/C#N)C(=O)Nc2ccc(C)c(C)c2)cc1 39858562 JEZSSHSRLPRJGA-QNGOZBTKSA-N 464.525 5.266 50 10 JKGE COC(=O)c1c(NC(=O)/C(C#N)=C/c2ccc(-c3ccc(Cl)cc3)o2)sc2c1CCCC2 39884913 XRHFMNRGOYPQLZ-NTCAYCPXSA-N 466.946 5.873 50 10 JKGE Cc1c(C(=O)NNc2ccccc2)oc2c1/C(=N/NC(=O)C(c1ccccc1)c1ccccc1)CCC2 40815519 VUKQKEYZGYDEKD-FEZSWGLMSA-N 492.579 5.334 50 10 JKGE O=C(CSc1nc(-c2ccccc2)cs1)N/N=C/c1ccc(OCc2ccccc2Cl)cc1 40924332 ABONAFGAXIBEIO-MZJWZYIUSA-N 494.041 6.285 50 10 JKGE CCc1sc(NC(=O)/C(C#N)=C/c2ccccc2OC)nc1-c1ccc(Br)cc1 41013323 WXEOIRYTRIHVSP-FOWTUZBSSA-N 468.376 5.689 50 10 JKGE CCOc1cc(/C=C(/C#N)C(=O)Nc2ccc(Cl)c(Cl)c2)ccc1OC(=O)c1ccc(C)cc1 59117547 PCBLBQLXYPREGC-UNOMPAQXSA-N 495.362 6.465 50 10 JKGE CCOC(=O)c1ccc(-c2ccc(/C=C(/C#N)C(=O)Nc3cccc(Cl)c3Cl)o2)cc1 59336001 JRXBFUIOFNXGRW-VBKFSLOCSA-N 455.297 5.976 50 10 JKGE Cc1cc(-n2c(C)cc(/C=C(/C#N)C(=O)NCc3cccs3)c2C)cc(C)c1Br 59534560 XUKSYNSOAKTXGR-ODLFYWEKSA-N 468.420 5.758 50 10 JKGE C[C@@H]1CCCC[C@@H]1NC(=O)[C@@H](c1ccc(Cl)cc1)N(Cc1ccc2c(c1)OCO2)C(=O)CCl 97914248 MCFMXVKIDOYGIC-AAORUROXSA-N 491.415 5.072 50 10 JKGE COc1cccc(Cn2cc(/C=C(/C#N)C(=O)Nc3ccccc3[N+](=O)[O-])c3ccccc32)c1 98005720 COGFJPUKWPAMBN-RGEXLXHISA-N 452.470 5.152 50 10 JKGE CCOC(=O)c1c(N/C=C(\C#N)c2nc(-c3ccc(CC)cc3)cs2)sc(C(=O)OC)c1C 102924489 ACTZYPVPVGGPKL-SFQUDFHCSA-N 481.599 5.682 50 10 JKGE CCCCCCCC(O)(CCCCCCC)C(=O)NN(C(=O)/C=C\c1ccccc1)c1ccccc1 103310269 PQSZCIWHEBVPNJ-VHXPQNKSSA-N 492.704 7.216 50 10 JKGE Fc1cc(Br)cc([C@H](Cl)c2cc(Br)ccc2Br)c1 109803231 DASXSBYRVIGFHA-ZDUSSCGKSA-N 457.362 6.441 50 10 JKGE O=c1[nH]c2cc(Br)c([C@@H](Br)c3ccc(Br)c(F)c3)cc2[nH]1 109884063 RGUJAXQZNKNOIH-ZDUSSCGKSA-N 478.941 5.005 50 10 JKGE Cc1cc(Br)c([C@H](Br)c2ccc(Br)cc2Cl)s1 114962094 ILMCVPRFLJEBGD-LLVKDONJSA-N 459.428 6.719 50 10 JKGE Cc1cc(Br)c([C@H](Br)c2ccc(Br)cc2)cc1Br 128729018 OYBZWTXJQYPAIK-CQSZACIVSA-N 497.850 6.767 50 10 JKGE Clc1cc([C@H](Cl)c2cc(Br)sc2Br)ccc1Br 148952353 JICZEBRMGJGWJP-JTQLQIEISA-N 479.846 7.017 50 10 JKGE Cc1ccc(COc2ccccc2/C=N\NC(=O)c2ccc3[nH]c4c(c3c2)C[C@@H](C)CC4)cc1 169891228 IAVORGSEOMWOFI-WYYDPCKZSA-N 451.570 5.944 50 10 JKGE CCCCOc1ccc(/C=N/NC(=O)c2ccc3[nH]c(-c4ccccc4)nc3c2)cc1OCC 169926880 SJEPOXMDUOJIGM-MTDXEUNCSA-N 456.546 5.571 50 10 JKGE COc1ccc(NC(=O)/C(C#N)=C\N2CCN(C(c3ccccc3)c3ccccc3)CC2)cc1Cl 217137388 NDZDTUZZAHWYTH-ATJXCDBQSA-N 487.003 5.102 50 10 JKGE N#C/C(=C/N1CCN(C(c2ccccc2)c2ccccc2)CC1)C(=O)Nc1ccc(Cl)cc1Cl 217175505 MSQNSIXJKHINPN-QOCHGBHMSA-N 491.422 5.747 50 10 JKGE Cc1cc(I)ccc1N/C=C(/C#N)C(=O)Nc1cc(Cl)ccc1C 217213370 UHIXAFFBJPVZOF-RAXLEYEMSA-N 451.695 5.020 50 10 JKGE Brc1cccc(C[C@H](Br)c2cc(Br)cc(Br)c2)c1 232474298 HULOFMBAEVFAQA-AWEZNQCLSA-N 497.850 6.653 50 10 JKGE CCOc1ccc(Br)cc1[C@H](Br)c1ccc(Cl)cc1Br 233784554 DHZSLJBFBVTZJM-OAHLLOKOSA-N 483.425 6.748 50 10 JKGE CO[C@H]1CCC[C@H](Oc2c(Br)cc(CBr)cc2Br)C1 234842137 ZAHVXBAXSRIQED-QWRGUYRKSA-N 457.000 5.443 50 10 JKGE O=C(c1cc(Br)ccc1I)[C@H](Cl)c1ccc(F)cc1 236198625 ORUCJIRBWRUQLW-CYBMUJFWSA-N 453.476 5.356 50 10 JKGE CCCCCCCCOc1ccc(-c2cc(C(=O)NN=Cc3ccc(OC)c(OC)c3)[nH]n2)cc1 254393665 PBDOQBYBAWGPEG-UHFFFAOYSA-N 478.593 5.597 50 10 JKGE CCOc1cc(C=NNC(=O)CNc2ccc3ccccc3c2)ccc1OC(=O)c1ccccc1 254486589 BJCGBZISRKAINB-UHFFFAOYSA-N 467.525 5.020 50 10 JKGE O=C(NC[C@H]1CCC[C@H](CBr)C1)c1cc(Br)cc(Br)c1 312303280 OBGSCZXVFUOLDG-QWRGUYRKSA-N 468.027 5.143 50 10 JKGE C[C@]1(Cn2c(CCl)nc3cc(F)c(Br)cc32)CCN(Cc2ccccc2)C1 383626243 HSQBZMZMHMINQE-NRFANRHFSA-N 450.783 5.589 50 10 JKGE Cc1cc(Br)c([C@@H](Br)c2cccc3ccsc23)cc1Br 395304459 WQXQYJWRVYSWMJ-HNNXBMFYSA-N 475.043 7.219 50 10 JKGE Cc1cc(F)c([C@H](Br)c2cc(Br)sc2Br)cc1C 395805069 JGLPIRPFHCZQOP-LBPRGKRZSA-N 457.000 6.513 50 10 JKGE Fc1cc(F)c(F)c([C@H](Br)c2sccc2I)c1F 395822658 QNTPDQLRXYOCQR-QMMMGPOBSA-N 451.020 5.393 50 10 JKGE C[C@H](Cl)c1nc2ccc(F)c(Br)c2n1C[C@@H]1CCN(Cc2ccccc2)C1 689775966 SYZCKSQOQGETMP-GOEBONIOSA-N 450.783 5.760 50 10 JKGE COc1ccc([C@@H](Br)c2ccc(F)c(Br)c2F)cc1Br 691510986 KAMBYUAUDZBWTB-GFCCVEGCSA-N 470.933 5.983 50 10 JKGE O=C(NC1(CBr)CCCCCCC1)c1cc(Br)sc1Br 713449752 QVTBTQGNXJHFGP-UHFFFAOYSA-N 488.083 5.881 50 10 JKGE Cc1cc([C@@H](Br)c2ccc(I)c(Br)c2)c(C)s1 721588374 OMVPZAMJJDWQCH-ZDUSSCGKSA-N 486.010 6.216 50 10 JKGE COc1cc(C=NNC(=O)c2ccc(C)cc2)cc(Br)c1OCc1ccccc1 725390487 MAUCXQMIIYPSLW-UHFFFAOYSA-N 453.336 5.109 50 10 JKGE COc1ccc(CSCC(=O)NN=Cc2ccc(OCc3ccc4ccccc4c3)cc2)cc1 1084119136 MHSKWCWWLQGVEB-UHFFFAOYSA-N 470.594 5.811 50 10 JKGE Cc1ccccc1C(=O)NN=C1CCCc2oc(C(=O)Oc3cccc4ccccc34)c(C)c21 1772743928 OJXHPZLPCMHHFI-UHFFFAOYSA-N 452.510 5.739 50 10 JKGE CCc1ccccc1NC(=O)c1oc2c(c1C)C(=NNC(=O)c1ccccc1Br)CCC2 1772744568 WXHVRIOERHJQTJ-UHFFFAOYSA-N 494.389 5.636 50 10 JKGE Cc1c(C(=O)Nc2ccc(Cl)cc2Cl)oc2c1C(=NNC(=O)c1ccc(O)cc1)CCC2 1772744732 IRWKFDFTBXCRRS-UHFFFAOYSA-N 472.328 5.323 50 10 JKGE COc1ccc(-c2nn(Cc3ccccc3Cl)c3c2[C@H](c2ccc(C)cc2)C(C#N)=C(N)O3)cc1 1865685915 OHQCKPMPCWQMQX-XMMPIXPASA-N 482.971 5.787 50 10 JKGE Cc1nn(-c2cccc3ccccc23)c2c1[C@@H](c1ccc(OCc3ccccc3)cc1)C(C#N)=C(N)O2 1865689863 FFMWNTWGYJLXMG-LJAQVGFWSA-N 484.559 6.131 50 10 JKGE CCCCCOc1ccc([C@H]2C(C#N)=C(N)Oc3c2c(C)nn3-c2cccc3ccccc23)cc1 1865690649 XYPMXHXKPOCLSO-MHZLTWQESA-N 464.569 6.121 50 10 JKGE CC(C)[C@H](CC(=O)N[C@@H](Cc1ccccc1)C(=O)Nc1ccc(SC#N)cc1)c1ccc(F)cc1 1866753484 YOQSMXWVSYFNJC-UIOOFZCWSA-N 489.616 5.895 50 10 JKGE COc1cccc([C@@H]2c3ccccc3CCN2c2cc(Nc3ccc(SC#N)cc3)nc(C)n2)c1 1868481072 YUEZSRPUPVBAAD-MUUNZHRXSA-N 479.609 6.263 50 10 JKGE COc1c(C)cc(Cl)cc1-c1csc(/C(C#N)=C(\O)[C@H]2CC(=O)N([C@H](C)c3ccccc3)C2)n1 1872757187 UDSHSPCUBCCKID-AOZSXKTHSA-N 494.016 6.183 50 10 JKGE CCCCOc1ccc(/C=C(\C#N)c2nc(-c3cc(OC)c(Cl)cc3OC)cs2)cc1 1872793557 GODBNUHOFTYWJS-GZTJUZNOSA-N 454.979 6.724 50 10 JKGE CCCCCCOc1ccc(/C=C(\C#N)c2nc(-c3cc(Cl)ccc3Cl)cs2)cc1OC 1872794930 DVJMHAMMBRRCFD-LDADJPATSA-N 487.452 8.149 50 10 JKGE COc1ccc(OC)c(-c2csc(/C(C#N)=C(\O)[C@@H]3CC(=O)N([C@H](C)c4ccccc4)C3)n2)c1 1873920494 GTZLGSHUZNMJBD-SKFBIBLXSA-N 475.570 5.230 50 10 JKGE Cl[C@H](C[C@@]12CCC[C@@H]1C2)c1c(Br)sc(Br)c1Br 1908409700 NNQKRXBPYLHJOG-QHMRUWFYSA-N 463.460 6.896 50 10 JKGE CC1(C)[C@@H](OCc2ccccc2)C[C@H]1n1c(CCl)nc2c(Br)cc(F)cc21 1912665070 RUCZPWNIYPNARO-MSOLQXFVSA-N 451.767 6.233 50 10 JKGE O=C(c1cc(Br)ccc1I)N(CCCCl)Cc1ccccc1 1914602848 RPBILKDFEVYGSI-UHFFFAOYSA-N 492.582 5.325 50 10 JKGE CCn1nc(C)c(Br)c1CN(Cc1ccccc1)[C@@H](CBr)C(C)C 1915267805 GPRJMGQLVMULLL-KRWDZBQOSA-N 457.254 5.396 50 10 JKGE CC(C)[C@@H](CBr)N(Cc1ccccc1)C(=O)c1c(F)cccc1Br 1915298003 NVVMJIGGURYBQW-QGZVFWFLSA-N 457.181 5.650 50 10 JKGE CC(C)[C@@H](CBr)N(Cc1ccccc1)C(=O)c1ccc(F)c(Br)c1 1915298634 VSPVXORZNSLEFK-GOSISDBHSA-N 457.181 5.650 50 10 JKGE CC(C)(CBr)N(Cc1ccccc1)C(=O)c1cccc(F)c1I 1915779155 XBXUKFNUOUCXGF-UHFFFAOYSA-N 490.154 5.246 50 10 JKGE CN(C[C@@H](Cl)COCc1ccccc1)C(=O)c1c(Br)cccc1Br 1916349980 XBONDFJODCEZFG-CQSZACIVSA-N 475.608 5.108 50 10 JKGE Cc1nscc1[C@H](Br)c1c(Br)sc(Br)c1Cl 1923072606 QKIAMESSTYKHIM-LURJTMIESA-N 466.445 6.176 50 10 JKGE CC(C)(F)C[C@H](Br)c1c(Br)sc(Br)c1Br 1924569841 AYBOPFUIICRQJZ-BYPYZUCNSA-N 487.852 6.610 50 10 JKGE CC1(NC(=O)c2cccc(Br)c2Br)CCC(Br)CC1 1924711077 TXYDVNXRLSGKAA-UHFFFAOYSA-N 454.000 5.038 50 10 JKGE CC1CC(C[C@@H](Br)c2c(Br)sc(Br)c2Br)C1 1926974125 ORFCUHJTUJFMKG-KPGICGJXSA-N 495.900 6.908 50 10 JKGE C[C@@H]1C[C@@H](N(C)c2ccc(CBr)c(Br)c2)CN1Cc1ccccc1 1949205791 VXNNIGOGBAMXAY-DNVCBOLYSA-N 452.234 5.443 50 10 JKGE CC[C@H]1CN(C[C@@H](CBr)C(C)(C)C)[C@H](CC)CN1C(=O)OCc1ccccc1 2044627449 SOXREKSGOUSGFA-NJYVYQBISA-N 453.465 5.555 50 10 JKGE C[C@@H]1CN(CCCCCCCCCBr)C[C@@H](C)N1C(=O)OCc1ccccc1 2044698262 AMLTUWNLIGJTIB-NHCUHLMSSA-N 453.465 5.843 50 10 JKGE Cc1nn(C)c([C@H](Br)c2c(Br)sc(C)c2C)c1Br 2082870180 FPWIPLXLHAXKMQ-SNVBAGLBSA-N 457.029 5.416 50 10 JKGE Fc1ccc(Br)c(F)c1CC(CBr)(CBr)C1CCC1 2089706033 WEDHMAMFQZQPRZ-UHFFFAOYSA-N 460.982 5.846 50 10 JKGE BrCCC1(NCc2cccc(Br)c2Br)CCCCC1 2092328297 KCFCIQILPZMYPW-UHFFFAOYSA-N 454.044 5.789 50 10 JKGE Brc1cc2c(cc1[C@H](Br)c1cscc1OCc1ccccc1)OCCO2 2100091360 JMSCRIIRHOQCJV-FQEVSTJZSA-N 496.220 6.345 50 10 JKGE C[C@@H]1CCO[C@H]1CCOc1c(Br)cc(CBr)cc1Br 2101105623 VEKKLVHCAUKUOF-RNCFNFMXSA-N 457.000 5.300 50 10 JKGE C[C@H]1C[C@H](CCOc2c(Br)cc(CBr)cc2Br)CO1 2103050660 OKIBLRMSNHXGMP-UWVGGRQHSA-N 457.000 5.300 50 10 JKGE Fc1ccc(I)cc1[C@@H](Cl)c1ccc(F)c(Br)c1F 2113350322 CLLXQOWHPJVYSA-LBPRGKRZSA-N 461.446 5.799 50 10 JKGE Clc1cc(OCc2cc(Br)ccc2Br)ccc1CBr 2118523403 YEVYSXYIYKAWNP-UHFFFAOYSA-N 469.398 6.339 50 10 JKGE Cc1c(Br)ccc([C@@H](Br)[C@@H]2CCCOC2(C)C)c1Br 2138852809 OXKFOLRAIZPHSB-SMDDNHRTSA-N 455.028 6.161 50 10 JKGE C[C@](CBr)(Cc1ccc(I)c(Cl)c1)C1CCCCC1 2142939472 HFVKRONIYQZCAW-MRXNPFEDSA-N 455.605 6.469 50 10 JKGE BrCc1cc(Br)c(OCc2csc3cncn23)c(Br)c1 2151224501 MYWQYGNEWKZDFG-UHFFFAOYSA-N 481.007 5.395 50 10 JKGE CC(C)(C)OC(=O)NCC[C@H](N(C[C@H](CBr)C1CCC1)C1CC1)C(F)(F)F 2163065374 ZPXOWGLZLJMJIN-HOCLYGCPSA-N 457.375 5.108 50 10 JKGE Cc1cc(CBr)cc(S(=O)(=O)N(Cc2ccccc2)Cc2cccs2)c1C 2179863040 GIFJPVUYEYCADB-UHFFFAOYSA-N 464.450 5.651 50 10 JKGE FC1(F)C[C@H](n2c(CCl)nc3cc(Br)ccc32)CN(Cc2ccccc2)C1 2184259808 DEHLXHCFNYMUHA-INIZCTEOSA-N 454.746 5.620 50 10 JKGE CC(C)(C)[C@@H]1[C@H](Br)CCN1C(=O)c1c(Br)cccc1Br 2185113903 MWLDPEBTCWMEAI-YPMHNXCESA-N 468.027 5.236 50 10 JKGE COc1cc(Cl)c([C@@H](Br)c2c(Br)c(C)nn2C)cc1Br 2202348956 UFJZZFDUFNEUSW-GFCCVEGCSA-N 487.417 5.400 50 10 JKGE Brc1cc(Br)cc([C@H](Br)c2ccc(-c3cccs3)s2)c1 2205858890 JCLJQTDGRXMGLR-HNNXBMFYSA-N 493.083 7.486 50 10 JKGE CC(C)(C)[C@@H]1CC[C@@H](Br)[C@H](Cc2ccc(I)c(Cl)c2)C1 2208044427 MPHMOMHVSJQIMO-MGPQQGTHSA-N 469.632 6.713 50 10 JKGE Brc1cc([C@H](Br)[C@@H]2OC[C@H]3CCCC[C@@H]32)sc1Br 2218097363 FHXHRQOKKAOMPT-UFGYURQFSA-N 459.041 5.914 50 10 JKGE C[C@@H]1OCCO[C@H]1[C@H](Br)c1c(Br)cc(Cl)c(Cl)c1Cl 2224316090 AINJMOCZVJFIEF-YTYIBOFLSA-N 453.385 5.649 50 10 JKGE CC[C@@H]1CC[C@@H]([C@H](Br)c2c(Br)cc(Cl)c(Cl)c2Cl)O1 2224318446 WSSUOJJJWNBQRV-PUMQYWBSSA-N 451.413 6.803 50 10 JKGE Cc1cc(Br)c([C@@H](Br)C2(C)CC(C)(C)C2)c(C)c1Br 2227363240 VOPGIJBYIHCKFT-CQSZACIVSA-N 453.056 7.091 50 10 JKGE Cc1c(F)ccc([C@@H](Br)c2ccc(Br)cc2Br)c1F 2231080258 SAOCOORACCVLEK-ZDUSSCGKSA-N 454.934 6.283 50 10 JKGE BrCc1cc(Br)c(OC[C@@H]2OC[C@@H]3CCC[C@@H]32)c(Br)c1 2233362306 UBWMTWMZYSTFLP-MJVIPROJSA-N 469.011 5.300 50 10 JKGE CO[C@H]1C[C@H]([C@@H](Br)c2cc(Br)c(Br)cc2F)C[C@H]1OC 2233975961 MOSMDPZSEVTBGN-ARFBSJSSSA-N 474.990 5.227 50 10 JKGE Cc1ccc(I)c([C@@H](Cl)c2c(Br)cc(C)c(Cl)c2C)c1 2240999373 ANBFZYMGMRYNOB-MRXNPFEDSA-N 484.002 6.961 50 10 JKGE COc1cc(Br)c(C)cc1[C@H](Cl)c1cc(C)ccc1I 2241000202 GAESBALIZVZLSK-MRXNPFEDSA-N 465.556 6.007 50 10 JKGE CCc1cc([C@@H](Br)c2cn(CC)c(Br)n2)sc1Br 2256057380 MUSRVCGKDBUWDO-JTQLQIEISA-N 457.029 5.536 50 10 JKGE COc1ccc([C@@H](Cl)c2cc(Br)ccc2F)cc1I 2269541752 JBIPMLUTUZMRFL-CQSZACIVSA-N 455.492 5.530 50 10 JKGE COc1ccc([C@H](Br)c2ccc(F)cc2Br)cc1I 2269543369 MJXRPWNRJLUSRC-AWEZNQCLSA-N 499.943 5.686 50 10 JKGE CC(F)(F)C(C)(C)[C@@H](Br)c1c(F)cc(Br)c(F)c1Br 2272734515 QTUABPHRHBCGDI-JTQLQIEISA-N 470.924 6.607 50 10 JKGE C[C@@H](C1CCCC1)[C@@H](Br)c1c(F)cc(Br)c(F)c1Br 2272843730 UMMFWKZUDXSKSU-JVXZTZIISA-N 460.982 6.752 50 10 JKGE Cc1cc([C@H](Br)Cc2cc(Br)cc(Br)c2)ccc1F 2277898615 XOJKDNATLFTAFJ-CQSZACIVSA-N 450.971 6.338 50 10 JKGE FC1(F)C[C@](CBr)(Cc2ccc(Br)cc2Br)C12CCC2 2280848451 IJKYNWBOQCAIMG-ZDUSSCGKSA-N 472.993 6.345 50 10 JKGE COc1ccc([C@H](Br)c2c(F)cccc2I)c(Cl)c1Cl 2282786205 BYKLTEXYKIESJH-LBPRGKRZSA-N 489.937 6.230 50 10 JKGE Fc1cccc(Br)c1CC(CBr)(CBr)C1CCOCC1 2289543067 YXLROIROIYNWQD-UHFFFAOYSA-N 473.018 5.334 50 10 JKGE COc1cc(C=C(C#N)S(=O)(=O)c2ccc(Cl)cc2)ccc1OCc1ccc(F)cc1 2293190885 OMCSRAAVKARYDC-UHFFFAOYSA-N 457.910 5.405 50 10 JKGE Cc1cc(C=C(C#N)C(=O)Nc2ccc3ccccc3c2)c(C)n1-c1ccc(Cl)c(Cl)c1 2294168402 JFOPMAPYKGUZQZ-UHFFFAOYSA-N 460.364 7.100 50 10 JKGE Cc1ccc(N2C(=O)[C@@H](Cc3ccccc3Cl)SC2=C(C#N)C(=O)Nc2ccc(F)cc2)cc1 2296643187 NMDMTJDDMPTDPX-HSZRJFAPSA-N 491.975 5.853 50 10 JKGE CCN(CC)c1ccc(C=C(NC(=O)c2ccccc2)C(=O)NN=CC(C)=Cc2ccccc2)cc1 2296654326 ZKNQDTQBLAKPJQ-UHFFFAOYSA-N 480.612 5.509 50 10 JKGE Brc1ccc(OCc2ccccc2)c([C@H](Br)[C@@H]2[C@H]3CCCO[C@H]32)c1 2299490495 ZBSJQMNJTKBSOF-XFWGSAIBSA-N 452.186 5.889 50 10 JKGE Brc1ccc(OCc2ccccc2)c([C@H](Br)[C@@H]2CCC[C@H]3C[C@@H]32)c1 2299501237 MELPQNRTPVPBTN-CQSHLORDSA-N 450.214 6.900 50 10 JKGE Cc1c(C=C(C#N)C(=O)N2CCN(c3ccccc3)CC2)c2ccccc2n1Cc1ccccc1 2313568487 WAWRNRUFDPGKOY-UHFFFAOYSA-N 460.581 5.254 50 10 JKGE CC(C)([C@H](Br)c1cc(Br)ccc1OCc1ccccc1)[C@H]1CCCO1 2314455459 OZMDJZTZXOMSKA-WOJBJXKFSA-N 468.229 6.669 50 10 JKGE CCc1ccc(C[C@H]2SC(=C(C#N)C(=O)Nc3cccc(C)c3)N(c3ccc(CC)cc3)C2=O)cc1 2314592379 SCGJEEUNFXQNQC-HHHXNRCGSA-N 495.648 6.185 50 10 JKGE CCCCCCN1C(=O)C(=Cc2ccc(-c3ccc(C(=O)OCC)cc3)o2)C(C)=C(C#N)C1=O 2314610882 NRZDRFLVKOHMNK-UHFFFAOYSA-N 460.530 5.296 50 10 JKGE CCCCOc1ccc(C=C2C(=O)N(CCc3ccc(OC)cc3)C(=O)C(C#N)=C2C)cc1OCC 2314620534 PZRDMLJRDYRWKD-UHFFFAOYSA-N 488.584 5.108 50 10 JKGE COc1cc(C=C(C#N)c2ccccc2)ccc1OC(=O)COc1ccc(C)cc1Br 2314720672 YOZXTLRZXVMCOU-UHFFFAOYSA-N 478.342 5.815 50 10 JKGE CCCCCCCCCOc1ccc(C=C(C#N)c2nc3cc(C)c(C)cc3[nH]2)cc1Cl 2323839916 NWUAMBRHGREGMJ-UHFFFAOYSA-N 450.026 8.027 50 10 JKGE COC(=O)c1c(NC(=O)C(C#N)=Cc2ccc(Cl)cc2)sc(C)c1-c1ccc(C)c(C)c1 2329655759 SFBOJZQDBXLNKQ-UHFFFAOYSA-N 464.974 6.326 50 10 JKGE CC(C)c1ccc(-c2csc(C(C#N)=C(O)c3ccc(N4CCOCC4)c([N+](=O)[O-])c3)n2)cc1 2331343179 ZIIZYOAQPIJQPC-UHFFFAOYSA-N 476.558 5.628 50 10 JKGE CCOc1ccc(OCC)c(-c2csc(C(C#N)=C(O)c3cc([N+](=O)[O-])cc([N+](=O)[O-])c3)n2)c1 2331376683 HLLVJSDZJMCBRP-UHFFFAOYSA-N 482.474 5.374 50 10 JKGE COc1c(Cl)cc(-c2csc(C(C#N)=C(O)C=Cc3ccc4c(c3)OCCO4)n2)cc1Cl 2331396541 LUJBBTUONFYIQP-UHFFFAOYSA-N 487.364 6.403 50 10 JKGE COc1ccc(-c2csc(C(C#N)=C(O)Cc3cc(Cl)ccc3Cl)n2)c(OC)c1OC 2331411696 CUVCKERWUPIGGZ-UHFFFAOYSA-N 477.369 6.178 50 10 JKGE Cn1ncc(Br)c1[C@@H](Cl)c1c(F)cc(Cl)c(Br)c1Cl 2335278304 BXBRKJCRKNGSBV-JTQLQIEISA-N 451.348 5.719 50 10 JKGE CC(C)c1ccccc1[C@H](Br)c1ccc(OCc2ccccc2)cc1Br 2336055330 ZEGSMFYPNMCLET-QHCPKHFHSA-N 474.236 7.636 50 10 JKGE Fc1cc([C@H](Br)c2cc(Br)ccc2OCc2ccccc2)cc(F)c1F 2336076252 XCEMXXKVVOGTFF-IBGZPJMESA-N 486.125 6.930 50 10 JKGE Fc1c(Br)cc(Cl)c([C@H](Br)[C@@H]2C[C@@H]3CC[C@H]2O3)c1Br 2337083108 UTKRFRJDYFTBRY-WQRVWIMNSA-N 477.393 6.008 50 10 JKGE C[C@H](CC(F)(F)F)[C@H](Br)c1c(Cl)cc(Br)c(F)c1Br 2337093098 AMTONXXIQSNLKL-VHWMUFPASA-N 491.342 7.029 50 10 JKGE O=C(CCc1cc(Cl)cc(Cl)c1)N[C@@H](CCBr)COCc1ccccc1 2343418062 KLSAMJXMADGGDF-IBGZPJMESA-N 459.211 5.413 50 10 JKGE Cc1cc(Br)c(C(C)C)cc1[C@H](Br)c1cc(Br)sn1 2352785667 LVMBZLRARBRGNT-AWEZNQCLSA-N 468.052 6.584 50 10 JKGE Clc1c(Br)ccc(CBr)c1N1CC(n2ccc(Br)n2)C1 2361522811 VKBRVQKCXOYMAY-UHFFFAOYSA-N 484.417 5.018 50 10 JKGE CC[C@](C)(CO[C@](C)(CI)c1ccccc1Br)C(F)F 2361588008 HHSFDTXRHSYLAU-HUUCEWRRSA-N 461.128 5.797 50 10 JKGE Cc1cc(Br)c(C)c([C@@H](Br)[C@@H]2CO[C@]3(C)C[C@H]2C3)c1Br 2362907182 RNAFOLGWRFTZIR-XYPYXGAPSA-N 467.039 6.080 50 10 JKGE Cc1c(Br)ccc([C@H](Br)[C@H]2COC3(CCC3)CO2)c1Br 2364134974 NYIJTFGLBOSXPT-OCCSQVGLSA-N 469.011 5.294 50 10 JKGE CC[C@@H](C[C@@H](Br)c1c(C)cc(Br)c(F)c1Br)C(C)(C)C 2365188075 HTADKKJVEKLZLW-WDEREUQCSA-N 473.062 7.558 50 10 JKGE Cc1cc(Br)c(F)c(Br)c1[C@H](Br)[C@@H]1OC[C@H]2CCC[C@@H]21 2365228872 UEYNMDHJABZEOM-PXRKONNCSA-N 471.002 5.910 50 10 JKGE Clc1ccc([C@H](Br)c2cc(Cl)cc3c2OCC3)c(I)c1 2365598808 SCIZMRHUQNNRJK-AWEZNQCLSA-N 483.958 6.017 50 10 JKGE Clc1ccc(CC[C@H](Br)CN2CCCCCC2)c(I)c1 2366722303 CDBJLGBTARQSTI-AWEZNQCLSA-N 470.620 5.517 50 10 JKGE COc1c(F)cc([C@H](Br)c2ccc(Cl)cc2I)cc1F 2370451034 JLQLYJDUDMJAHF-ZDUSSCGKSA-N 473.482 5.716 50 10 JKGE N#C/C(C(=O)N1CCCCC1)=C1\S[C@H](Cc2cc(Cl)ccc2Cl)C(=O)N1c1ccccc1 12273758 BXIOCOIJGFEVJU-QBHDBVHESA-N 486.424 5.432 50 10 JKGE N#C/C(C(=O)Nc1ccc(Cl)cc1)=C1\S[C@H](Cc2ccc(F)cc2)C(=O)N1c1ccccc1 13618998 CKNBDFIZCZYIQZ-FNBPXTNNSA-N 477.948 5.544 50 10 JKGE CCOc1cc(/C=C(/C#N)C(=O)Nc2ccccc2[N+](=O)[O-])ccc1OC(=O)c1ccc(C)cc1 33499818 MHAUKCFIXHPCTP-ZHZULCJRSA-N 471.469 5.067 50 10 JKGE CCOc1ccc(NC(=O)/C(C#N)=C\c2c(Oc3ccc(Cl)cc3)nc3ccccn3c2=O)cc1 33705542 ULBPKOGYTPCGAL-ICFOKQHNSA-N 486.915 5.085 50 10 JKGE N#C/C(=C/c1cccc(C(F)(F)F)c1)c1nc(-c2ccc(-c3ccc(Cl)cc3Cl)o2)cs1 33772785 BSRZXTFZUVYYHS-ZSOIEALJSA-N 491.321 8.460 50 10 JKGE CCCCCCN1C(=O)C(C#N)=C(C)/C(=C\c2ccc(OCc3ccccc3F)c(OCC)c2)C1=O 38604244 NJGHPQFTXOOIKA-XQNSMLJCSA-N 490.575 5.976 50 10 JKGE Cc1ccc2oc(C(=O)Oc3ccc4c(c3)OC(N)=C(C#N)[C@H]4c3cccc4ccccc34)c(C)c2c1 38688566 APHOCJNAJZROEQ-NDEPHWFRSA-N 486.527 6.640 50 10 JKGE Cc1ccc(C(=O)N/N=C2\CCCc3oc(C(=O)Oc4cccc5ccc(C)nc45)c(C)c32)cc1 40804770 OHXXQBFAIAXEAT-MWAVMZGNSA-N 467.525 5.443 50 10 JKGE COc1cc(/C=C(\C#N)c2ccc(Cl)cc2)ccc1OC(=O)COc1cc(C)cc(C)c1C 40868882 QUCXMAGVDFDHJO-LPYMAVHISA-N 461.945 6.322 50 10 JKGE CCOc1ccc([C@H](O)CCC(=O)N/N=C\c2cc(C)n(-c3cccc4ccccc34)c2C)cc1 58893407 XGKJZWTZSRVYLM-FLFHKRBWSA-N 469.585 5.610 50 10 JKGE CCOc1cc(/C=C(\C#N)C(=O)NC2CCCC2)ccc1OCc1ccc(Br)cc1 59224920 PFVXCPSZZLQSRE-CPNJWEJPSA-N 469.379 5.393 50 10 JKGE COc1ccc(NC(=O)/C(C#N)=C\c2cc(Br)ccc2OCc2cccc(C)c2)cc1 59233037 AGIGOQFBXITQIF-MOSHPQCFSA-N 477.358 5.891 50 10 JKGE CC1=C(C#N)C(=O)N(Cc2ccc(F)cc2)C(=O)/C1=C/c1ccc(-c2ccc(Cl)c(Cl)c2)o1 101340582 FGKLPYBAPZQLKL-YBFXNURJSA-N 481.310 6.185 50 10 JKGE COc1ccc([C@@H](Br)c2cc(Br)ccc2OC)cc1Br 109834547 XONIFVLKAJCHLT-OAHLLOKOSA-N 464.979 5.713 50 10 JKGE BrCC(CBr)(CCc1ccsc1)c1ccccc1Br 118672005 JRUUWKAERFRREI-UHFFFAOYSA-N 467.064 6.171 50 10 JKGE Clc1ccc([C@H](Br)c2ccccc2I)c2ccccc12 127348003 TXYFNENCUPOSRR-KRWDZBQOSA-N 457.536 6.582 50 10 JKGE Brc1ccc2cc([C@H](Br)c3sccc3Br)ccc2c1 134986927 MBVRFTBHCYWFLH-AWEZNQCLSA-N 461.016 6.911 50 10 JKGE CCCCOc1ccc(/C=C(/C#N)C(=O)Nc2cc(OC)c(NC(=O)c3ccccc3)cc2OC)cc1 206416202 XTLYGVCMRYMVNU-JWGURIENSA-N 499.567 5.681 50 10 JKGE CC[C@@H](C)c1ccc([C@H](Br)c2ccc(Br)cc2Br)cc1 233868185 GWSSYSPOLQGPMM-DIFFPNOSSA-N 461.035 7.209 50 10 JKGE Clc1ccc(Br)c([C@@H](Cl)c2csc3c(Br)cccc23)c1 236039157 IPLHPJPSKAKNNM-CQSZACIVSA-N 451.010 7.408 50 10 JKGE Fc1cc(F)c([C@H](Br)c2ccc(Br)cc2Br)c(F)c1 236257153 REMAVSXZFIPDHX-CYBMUJFWSA-N 458.897 6.113 50 10 JKGE CCCCOc1cccc(-c2cc(C(=O)NN=Cc3ccc([N+](=O)[O-])o3)c3ccccc3n2)c1 252604657 GCIXBRALKCRGGP-UHFFFAOYSA-N 458.474 5.346 50 10 JKGE O=C(Cn1cc(C=NNC(=O)c2cccc(C(F)(F)F)c2)c2ccccc21)Nc1ccccc1 252627325 RRVGLQYEDYVCDO-UHFFFAOYSA-N 464.447 5.063 50 10 JKGE Cc1ccc(-c2nnc(SCC(=O)NN=Cc3c[nH]c4ccccc34)n2C2CCCCC2)cc1 254291861 PSDNPOPPGPSHIX-UHFFFAOYSA-N 472.618 5.482 50 10 JKGE Cc1ccsc1C=NNC(=O)CSc1nnc(-c2ccc(C(C)(C)C)cc2)n1-c1ccccc1 254493325 NMVRSDPQKUPHRD-UHFFFAOYSA-N 489.670 5.844 50 10 JKGE C[C@H](Br)C[C@@H]1CCCCN1C(=O)c1cc(Br)ccc1Br 380208983 GNYTTWHUOACNDN-JQWIXIFHSA-N 468.027 5.380 50 10 JKGE C[C@@H](CN(C)Cc1ccccc1)n1c([C@@H](C)Cl)nc2cc(I)ccc21 381211616 VAZRWNVDMKLTMA-LSDHHAIUSA-N 467.782 5.634 50 10 JKGE Cl[C@@H](c1cc(Br)ccc1Br)c1ccccc1OCc1ccccc1 383604181 RAVJHADVKDHWQO-HXUWFJFHSA-N 466.600 7.119 50 10 JKGE CC(C)(C)[Si](C)(C)OCCN1CCNC[C@@H]1c1ccccc1CO[Si](C)(C)C(C)(C)C 616637360 WCGXBELCUWLKKX-HSZRJFAPSA-N 464.843 6.177 50 10 JKGE CC(C)(C)OC(=O)N1CCCC[C@@H]1[C@@H]1CCC[C@@]12CC[C@](C)(CI)O2 686241395 BKAMHSGHOUQBLU-LNKGRISISA-N 463.400 5.319 50 10 JKGE O=C(NC1(CCBr)CCCCC1)c1cc(Br)sc1Br 687326841 NZTOMQFMURPQTO-UHFFFAOYSA-N 474.056 5.491 50 10 JKGE FC(F)c1cscc1[C@H](Br)c1cc(Br)c(Br)s1 717191860 GOHHHCSOEZEAGL-QMMMGPOBSA-N 466.992 6.757 50 10 JKGE Fc1cccc(Cl)c1C[C@H](Cl)c1ccc(I)c(Br)c1 721573803 SJBMHUOKJJMNRJ-LBPRGKRZSA-N 473.938 6.369 50 10 JKGE Fc1ccc2nc(CCl)n(CC[C@H]3CCN(Cc4ccccc4)C3)c2c1Br 723938896 XVHBFNLENTUXMA-MRXNPFEDSA-N 450.783 5.589 50 10 JKGE CCn1cc([C@H](Br)c2sc(C)c(Br)c2C)nc1Br 724938289 ROIUHNZTBUFZRG-JTQLQIEISA-N 457.029 5.591 50 10 JKGE O=C(/C=C\c1ccc(OCc2ccc(Br)cc2)cc1)Oc1ccc([N+](=O)[O-])cc1 1082460687 ZQUUYOCWZULNJX-RZNTYIFUSA-N 454.276 5.555 50 10 JKGE Cc1ccc(COc2ccc(Br)cc2/C=C(/C#N)C(=O)Nc2cccc(Cl)c2)cc1 1084260511 JMPRVPDQNVWXBL-ODLFYWEKSA-N 481.777 6.536 50 10 JKGE Cc1ccc(-c2ccccc2)n1-c1ccc(C(=O)NN=Cc2ccc(Sc3ccccc3)o2)cc1 1084491690 QGZSOQNGIMLGGJ-UHFFFAOYSA-N 477.589 6.961 50 10 JKGE O=C(NN=Cc1cc(Br)c(Br)o1)c1cc2cc(Br)ccc2o1 1084504003 ZDWOVSBWUPLHEH-UHFFFAOYSA-N 490.933 5.077 50 10 JKGE O=C(NN=Cc1ccc(-c2cccc(Cl)c2)o1)C(=O)Nc1ccc(Cl)c(C(F)(F)F)c1 1084557312 BEPZUSBZECPSCY-UHFFFAOYSA-N 470.234 5.361 50 10 JKGE O=C(NN=C1C(=O)N(Cc2c(Cl)cccc2Cl)c2ccccc21)c1cc2ccccc2cc1O 1084559295 JZHNJPGDUWEXRC-UHFFFAOYSA-N 490.346 5.533 50 10 JKGE CCOc1cc(C=NNC(=O)CSc2nc3ccccc3[nH]2)ccc1OCc1ccccc1Cl 1772760380 HQQBVZYLXMGLGT-UHFFFAOYSA-N 495.004 5.436 50 10 JKGE CCc1nn(-c2cccc(Cl)c2)c2c1[C@@H](c1ccc(OCc3ccc(C)cc3)cc1)C(C#N)=C(N)O2 1865692349 FDULMGQCMRXIIT-SANMLTNESA-N 496.998 6.194 50 10 JKGE CCCOc1c(OC)cccc1[C@@H]1C(C#N)=C(N)Oc2c1c(CCC)nn2-c1cccc2ccccc12 1865693857 RGNURAIMCREZQC-AREMUKBSSA-N 494.595 5.994 50 10 JKGE Cc1ccccc1COc1ccc([C@H]2C(C#N)=C(N)Oc3c2c(C)nn3Cc2cccc(F)c2)cc1 1865702913 IAMQLBWSISHLDZ-MHZLTWQESA-N 480.543 5.485 50 10 JKGE COc1ccc(-n2nc(C)c3c2OC(N)=C(C#N)[C@H]3c2ccc(OCc3ccccc3Cl)cc2)cc1 1865703912 IPXWZZLEDNVYFT-AREMUKBSSA-N 498.970 5.640 50 10 JKGE CC(C)Cn1nc(-c2ccccc2)c2c1OC(N)=C(C#N)[C@@H]2c1ccc(OC(=O)c2ccccc2)cc1 1865704871 GOYRUDQKVNHFNU-VWLOTQADSA-N 490.563 5.643 50 10 JKGE N#CC1=C(N)Oc2c(c(-c3ccccc3)nn2Cc2ccc(Cl)c(Cl)c2)[C@H]1c1ccc(F)cc1 1865707735 DXWXXKBPGXFRNP-QFIPXVFZSA-N 491.353 6.262 50 10 JKGE Cc1nc(-c2ccc(F)cc2)ccc1C(=O)NNC(=O)/C=C/c1cccc(OCc2ccccc2)c1 1865758324 VCFQSRRZQAWDEY-LICLKQGHSA-N 481.527 5.250 50 10 JKGE N#CSc1ccc(NC(=O)[C@H](Cc2ccccc2)NC(=O)CCc2c[nH]c3ccccc23)cc1 1866574985 CZRDGIFOZQEFJX-VWLOTQADSA-N 468.582 5.040 50 10 JKGE CC1(C)CN(c2cc(Nc3ccc(SC#N)cc3)nc(Cc3ccccc3)n2)c2ccccc21 1868207561 NWICHTXCIGJODV-UHFFFAOYSA-N 463.610 6.813 50 10 JKGE Cc1ccc2nc(/C(C#N)=C/c3ccc(N4N=C(c5ccccc5)C[C@H]4c4ccccc4)cc3)[nH]c2c1 1872728389 ZUQDHSZPGMZHLU-XOXGFLSQSA-N 479.587 7.291 50 10 JKGE COc1cccc(/C=C(\C#N)c2ccc(Cl)cc2F)c1OCc1ccc(Cl)c(Cl)c1 1872729412 IIWBQJYJRUEQTG-MHWRWJLKSA-N 462.735 7.438 50 10 JKGE COc1cccc(/C=C(\C#N)c2ccc(Cl)cc2F)c1OCc1ccc(Br)cc1 1872729508 ODAPPWBZWJXYQX-GZTJUZNOSA-N 472.741 6.893 50 10 JKGE N#C/C(=C(/O)c1ccc2c(c1)C(=O)N(c1ccccc1Cl)C2=O)c1nc(-c2cccs2)cs1 1872750437 IUSTZTAARVZXED-PGMHBOJBSA-N 489.965 6.275 50 10 JKGE COc1ccc(-c2csc(/C(C#N)=C(O)/C=C/c3cc(OC)c(OC)c(OC)c3)n2)c(C)c1C 1872753685 IWMFRVJNOGHZBL-MBTKWPSXSA-N 478.570 5.967 50 10 JKGE Cc1cc(C)c(-c2csc(/C(C#N)=C(\O)c3cc(C(F)(F)F)cc(C(F)(F)F)c3)n2)c(C)c1 1872756814 BXGNBHNWCOILSC-JZJYNLBNSA-N 482.449 7.723 50 10 JKGE COc1cc(Cl)c(C)cc1-c1csc(/C(C#N)=C(\O)c2ccc(N(C)C)c([N+](=O)[O-])c2)n1 1872757140 RYBMVKLAQSMIGJ-QNGOZBTKSA-N 470.938 5.705 50 10 JKGE COc1ccc(-c2csc(/C(C#N)=C(O)/C=C/c3ccc(Cl)cc3Cl)n2)c2ccccc12 1872758492 CRWYEARYMZOTTN-NSSPVPIHSA-N 479.388 7.785 50 10 JKGE CCCc1ccc(OC/C(O)=C(\C#N)c2nc(-c3ccc(-c4ccccc4)cc3)cs2)cc1 1873940943 OMBKTLRYIIIRGW-RFBIWTDZSA-N 452.579 7.301 50 10 JKGE CC(C)[C@@H](Br)CCCc1ccc(I)c(Br)c1 1904329474 KTAAHUKVDQWGGN-NSHDSACASA-N 459.991 5.796 50 10 JKGE Cl[C@H](c1cc(I)sn1)c1cc(Br)c(Br)s1 1909889681 TWNAOSJRPWUCNL-SSDOTTSWSA-N 499.418 5.662 50 10 JKGE C[C@H](CCBr)N(Cc1ccccc1)S(=O)(=O)c1ccc(Cl)c(Br)c1 1915095301 UVJOANRNMYXBQZ-CYBMUJFWSA-N 495.664 5.467 50 10 JKGE CC(C)[C@H](CBr)N(Cc1ccccc1)C(=O)c1ccc(Cl)cc1Br 1915297417 GVIXSFSIUAAIEL-SFHVURJKSA-N 473.636 6.164 50 10 JKGE Fc1ccc([C@H](Br)c2sc(Br)cc2Br)c(Cl)c1 1922937090 XQDVNWXOWTZFPA-JTQLQIEISA-N 463.391 6.550 50 10 JKGE Cc1ccc(C)c([C@H](Br)c2sc(Br)c(C)c2Br)c1 1922946596 SWVRPADZQCSTCR-LBPRGKRZSA-N 453.037 6.683 50 10 JKGE Brc1cc(Br)c([C@H](Br)[C@@H]2[C@H]3CCc4ccccc4[C@@H]32)s1 1922955304 YEBSOONIHVBTRY-BSLXNSKLSA-N 477.059 6.685 50 10 JKGE CC(F)(F)C1([C@H](Br)c2c(Br)sc(Br)c2Cl)CC1 1923048382 GJQZGUBKUAAPAS-ZCFIWIBFSA-N 473.402 6.798 50 10 JKGE Cn1cc(Cl)c([C@@H](Br)c2c(Br)sc(Br)c2Cl)n1 1923070487 BGGHNTCBOSEDGI-YFKPBYRVSA-N 483.838 5.798 50 10 JKGE O=C(NCc1ccc(C(=O)NN(Cc2ccccc2)Cc2ccccc2)cc1)OCc1ccccc1 1923814853 UMJOZLBSVJNIFE-UHFFFAOYSA-N 479.580 5.460 50 10 JKGE CC1([C@@H](Br)c2c(Br)sc(Br)c2Br)CC(F)C1 1924568147 CBONANAAFLDTBQ-JGPKUNILSA-N 499.863 6.610 50 10 JKGE Clc1sc(Br)c(Cl)c1[C@H](Br)c1occc1Br 1925618587 ROEPZPUDMVXLAE-YFKPBYRVSA-N 469.807 6.657 50 10 JKGE C[C@@H]1COc2ccc([C@@H](Cl)c3cc(I)ccc3Br)cc21 1925733540 DDAXCTYNFKVWRL-JDNHERCYSA-N 463.540 5.878 50 10 JKGE Brc1ccsc1[C@H](Br)c1csc(Br)c1Br 1930628351 XEBALBVKFJLSMN-ZCFIWIBFSA-N 495.881 6.581 50 10 JKGE C[C@H]1CN(Cc2ccccc2)CCN1c1c(CBr)ccc(Br)c1Cl 1948727323 SWFPZOLJPQLGHH-AWEZNQCLSA-N 472.652 5.708 50 10 JKGE C[C@@H](CCCl)C(=O)Nc1cc(Br)c(I)c(Br)c1 2011435031 RMSLRFXYCRXCEZ-LURJTMIESA-N 495.380 5.020 50 10 JKGE Cc1c(Br)ccc([C@H](Cl)c2cc(Br)sn2)c1Br 2024283046 OPFCQLUFZINIPW-NSHDSACASA-N 460.416 6.067 50 10 JKGE Cc1c(Cl)cc([C@H](Br)c2cc(Br)c(Cl)s2)cc1Br 2048503865 PYYWYUOOAWCMNS-NSHDSACASA-N 493.873 7.373 50 10 JKGE CCOc1ccc([C@H](Br)c2cc(Br)cs2)c(Br)c1 2052437182 NKXNLQCZKQWBPJ-ZDUSSCGKSA-N 455.009 6.156 50 10 JKGE FC(F)(F)CC1([C@@H](Br)c2c(Br)sc(Br)c2Cl)CC1 2056618435 GNGOWAXKPMZWNC-LURJTMIESA-N 491.392 7.095 50 10 JKGE COc1cc(C)c([C@H](Br)c2csc(Br)c2)cc1Br 2078002718 DKMCRHRNTODYPW-CYBMUJFWSA-N 455.009 6.074 50 10 JKGE BrC[C@]1(Cc2ccc(Br)cc2Br)CCO[C@@H]1C1CC1 2092259953 CCHJXRMTPJXISY-HUUCEWRRSA-N 453.012 5.334 50 10 JKGE Clc1cccc(Cl)c1C[C@H](Br)c1cc(Br)cc(Br)c1 2104780507 FNZGHPQLZNHFPB-LBPRGKRZSA-N 487.844 7.197 50 10 JKGE Fc1ccc(I)cc1[C@@H](Br)Cc1c(Cl)cccc1Cl 2113352850 FYMSKNKEYILOBX-NSHDSACASA-N 473.938 6.416 50 10 JKGE Cc1cc(Cl)c([C@@H](Br)c2cc(I)ccc2F)cc1C 2113359046 XUBBXVIBQTUVEC-OAHLLOKOSA-N 453.520 6.185 50 10 JKGE COc1cc([C@H](Br)c2cc(Br)sn2)c(OC)cc1Br 2120038481 IOQGPPHGJBQXGZ-LBPRGKRZSA-N 471.996 5.170 50 10 JKGE Cc1cc(Br)c(C)c([C@H](Br)[C@@H]2CC(C)(C)CO2)c1Br 2136369481 DJESFKCQFXBGHB-SMDDNHRTSA-N 455.028 6.080 50 10 JKGE Cc1cc([C@H](Cl)c2ccc(Br)c(C)c2Br)ccc1Br 2138867648 XXPYVAIKXJZYHD-HNNXBMFYSA-N 467.426 6.919 50 10 JKGE Fc1cc2c(cc1I)nc(CCl)n2CCc1nccn1Cc1ccccc1 2146215974 BUFOBEJVRNHTBA-UHFFFAOYSA-N 494.739 5.006 50 10 JKGE COc1c(C)cc([C@@H](Br)c2cccc(Br)c2Br)cc1C 2148752711 UYUOEQGYRMHMRK-CQSZACIVSA-N 463.007 6.321 50 10 JKGE COc1cc(Br)ccc1Oc1c(CBr)ccc(Br)c1Cl 2154375392 HHDAQLPPAQCVCW-UHFFFAOYSA-N 485.397 6.561 50 10 JKGE Cc1cc(Br)sc1CN(C)c1c(CCl)ccc(Br)c1Cl 2156990830 LKKASYXIWSSPER-UHFFFAOYSA-N 458.046 6.610 50 10 JKGE O=C(NC[C@@H]1CC12CCC(Br)CC2)c1csc(Br)c1Br 2157509324 ITZDCLYRYVQEHA-JUXJKVCFSA-N 486.067 5.347 50 10 JKGE BrC[C@@]12CCC[C@H]1N(Cc1cccc(Br)c1Br)CCC2 2165244345 SAMDCTDCCUHOJE-ZBFHGGJFSA-N 466.055 5.741 50 10 JKGE C[C@H](Cl)c1nc2cc(I)c(F)cc2n1CC1(Br)CCC1 2168178165 JSEFUJOAEXFEPO-QMMMGPOBSA-N 471.539 5.397 50 10 JKGE O=C(c1scc(Br)c1Br)N1C[C@@H](Br)C2(CCCCC2)C1 2174378894 JGJPRFBDGJLPDQ-SNVBAGLBSA-N 486.067 5.443 50 10 JKGE CN(C)CCCN(Cc1ccccc1)S(=O)(=O)c1cc(Cl)cc(CBr)c1Cl 2179862984 FUWDZNUTLQZTAZ-UHFFFAOYSA-N 494.282 5.031 50 10 JKGE FC1(F)C[C@@H](n2c(CCl)nc3c(Br)cccc32)CN(Cc2ccccc2)C1 2184261439 XNOLYQRLRHTWDY-OAHLLOKOSA-N 454.746 5.620 50 10 JKGE Cc1cc(Br)c(CBr)c(OCc2cc(Cl)ccc2Br)c1 2200739488 AOIYRHZBSYIFKC-UHFFFAOYSA-N 483.425 6.647 50 10 JKGE Cc1ccc(F)cc1[C@@H](Br)c1c(C)c(Br)cc(C)c1Br 2201072601 JLKMQEKGWQUZJL-MRXNPFEDSA-N 464.998 6.760 50 10 JKGE CCn1cc([C@H](Br)c2cc(Br)c(OC)cc2F)nc1Br 2202910961 BBIMLKJVKVDJEJ-GFCCVEGCSA-N 470.962 5.060 50 10 JKGE Brc1ccc([C@H](Br)c2cc3c(s2)CCCCC3)c(Br)c1 2203682830 BONRVWXYHXNVFY-INIZCTEOSA-N 479.075 7.026 50 10 JKGE Cc1c(Br)ccc([C@H](Br)[C@]2(C)CC[C@@H](C)C2(C)C)c1Br 2203688465 UXKZVHAACLKXAP-PHEKWQANSA-N 467.083 7.418 50 10 JKGE Cc1cc([C@@H](Cl)c2c(Br)cc(F)c(F)c2F)ccc1I 2207105939 VSGXWFDTHSRKAF-GFCCVEGCSA-N 475.473 6.108 50 10 JKGE CCCn1nc(Br)cc1C[C@@H](Br)c1cccc(Br)c1 2224286687 GJAMKRFMIVDPMX-CYBMUJFWSA-N 451.000 5.497 50 10 JKGE Fc1cc(Br)c(Br)cc1[C@@H](Br)c1ccc(Cl)cc1Cl 2225633842 LSAQRXFGGHEAEN-ZDUSSCGKSA-N 491.807 7.142 50 10 JKGE Cc1cc(Br)c([C@H](Br)C[C@@H](C)C(C)(C)C)c(C)c1Br 2227350383 WQVOMTSVZAUBMB-ZWNOBZJWSA-N 455.072 7.337 50 10 JKGE COc1ccc([C@H](Br)c2cc(Br)c(OC)s2)c(Br)c1 2232076622 MMSXLAWXKHTPSG-LBPRGKRZSA-N 471.008 5.775 50 10 JKGE CC1(C)CO[C@@H](C[C@H](Br)c2c(Br)cc(Cl)c(Cl)c2Cl)C1 2232520301 NUQJWAOSVVTMJU-YUMQZZPRSA-N 465.440 7.051 50 10 JKGE CC(C)(C)OC(=O)N1CCC[C@](CBr)(OCc2ccc(C(F)(F)F)cc2)C1 2239617539 GZRJIGRZERYAPV-GOSISDBHSA-N 452.311 5.387 50 10 JKGE O=C(c1cc(Br)sc1Br)N1[C@H](CBr)C[C@@H]2CCCC[C@H]21 2240727734 BLAYLBCQKGKVIR-ATZCPNFKSA-N 486.067 5.441 50 10 JKGE COc1c(Cl)cc(Br)cc1[C@@H](Cl)c1cc(C)ccc1I 2241000266 GRKHQUCQWBILKR-AWEZNQCLSA-N 485.974 6.352 50 10 JKGE Clc1c(Br)csc1[C@@H](Br)Cc1ncccc1Br 2246468732 RCWJBDDULCPQLO-ZETCQYMHSA-N 460.416 6.000 50 10 JKGE CC[C@H]1CN(C(=O)OCc2ccccc2)[C@@H](CC)CN1CC1(CBr)CC(F)C1 2254441841 BINBUNCQXWLHAF-KBNVZVJVSA-N 455.412 5.011 50 10 JKGE COc1ccc([C@@H](Br)c2cc(C)c(Cl)s2)cc1I 2257357063 WLXBYDBOLNGNKA-GFCCVEGCSA-N 457.558 5.807 50 10 JKGE COc1cc(Cl)c(Cl)cc1[C@H](Br)c1ccc(I)cc1 2264367607 XQZFOJPAHRUBCH-CQSZACIVSA-N 471.947 6.091 50 10 JKGE COc1ccc([C@H](Br)c2cc(C)ccc2Br)cc1I 2269550397 ZMTKOKXPOFXBAV-HNNXBMFYSA-N 495.980 5.855 50 10 JKGE Brc1cc(Br)cc(C[C@H](Br)[C@@H]2CCCCC23CC3)c1 2277947685 JBDDOHDAPDOSPD-GJZGRUSLSA-N 451.040 6.488 50 10 JKGE O=[N+]([O-])c1ccc([C@H](Br)Cc2cc(Br)cc(Br)c2)o1 2277960544 JBWUXPSEFLPEEZ-SNVBAGLBSA-N 453.912 5.392 50 10 JKGE CC(C)Oc1ccc([C@@H](Br)c2ccc(Cl)c(I)c2)cc1 2283574059 MSTROAHIYDDTAA-MRXNPFEDSA-N 465.556 6.216 50 10 JKGE COc1cc(F)c(Cl)cc1[C@H](Br)c1ccc(Cl)c(I)c1 2283583438 NGIFKNBFBNRDRK-CQSZACIVSA-N 489.937 6.230 50 10 JKGE Fc1cc(Br)c(F)c(Br)c1[C@H](Br)[C@@]12CCC[C@@H](C1)OC2 2288349274 NZBPRYIQZUBUSB-GTNLGMRDSA-N 474.965 5.885 50 10 JKGE CC1(C)CCCC[C@@H]1[C@H](Br)c1c(F)cc(Br)c(F)c1Br 2288373007 DJORXOVYVGZTNH-PELKAZGASA-N 475.009 7.142 50 10 JKGE Cc1cc(Br)c(C)c([C@H](Br)[C@@]23CCCC[C@H]2CC3)c1Br 2288994693 CFKVRUWCMMDODC-AFAVFJNCSA-N 465.067 7.235 50 10 JKGE CCOc1cc(C=C(C#N)c2cccc(C#N)c2)ccc1OCc1ccc(Br)cc1 2297379891 NZKUEKPSXKVOBW-UHFFFAOYSA-N 459.343 6.363 50 10 JKGE O=C(C=Cc1ccccc1)Oc1ccccc1C=NNC(=O)c1ccc(NC(=O)c2ccccc2)cc1 2297550473 GLOKHUDQTSNZNY-UHFFFAOYSA-N 489.531 5.322 50 10 JKGE CC1([C@H](Br)c2cc(Br)ccc2OCc2ccccc2)CCOCC1 2299488054 CMLNEOGKHOMNNW-LJQANCHMSA-N 454.202 6.281 50 10 JKGE CC[C@H]([C@@H](Br)c1ccc(OCc2ccccc2)cc1Br)C(C)(F)F 2299529678 FDSCTOLOBKYCQL-AEFFLSMTSA-N 462.172 7.146 50 10 JKGE CN[C@H](c1c(Cl)cc(Br)c(F)c1Br)[C@H]1C[C@@H]1Br 2300177563 XYKSXNUORZBCAH-ANYMCVJYSA-N 450.371 5.048 50 10 JKGE ClC[C@@H](Br)[C@@H](CCl)OCc1c(Br)cccc1Br 2302101103 IMPIRPZNCMUHOR-GHMZBOCLSA-N 469.826 5.338 50 10 JKGE N#CC(=Cc1ccc(-c2cccc(Cl)c2Cl)o1)C(=O)N1CCN(c2ccccc2)CC1 2313546032 XUXFJJQUTQIBBW-UHFFFAOYSA-N 452.341 5.509 50 10 JKGE COc1ccc(C=C(C#N)C(=O)Nc2cc(Cl)ccc2Cl)cc1OCc1ccccc1Cl 2313631032 JAZGHYLOIUHYQW-UHFFFAOYSA-N 487.770 6.780 50 10 JKGE CCOc1cc(C=C(C#N)C(=O)Nc2ccc(Cl)c(Cl)c2)ccc1OC(=O)c1ccc(C)cc1 2313631375 PCBLBQLXYPREGC-UHFFFAOYSA-N 495.362 6.465 50 10 JKGE FC1(F)CCOC[C@@H]1[C@@H](Br)c1ccc(OCc2ccccc2)cc1Br 2314499616 DXIFHEVTHMVFJA-AEFFLSMTSA-N 476.155 6.136 50 10 JKGE COc1cc(C=C2C(=O)N([C@@H](C)c3ccccc3)C(=O)C(C#N)=C2C)ccc1OCc1ccccc1 2314618957 XKCIUMCUKXFLNQ-NRFANRHFSA-N 478.548 5.628 50 10 JKGE CCCCCOc1ccc(C=C(C#N)C(=O)Nc2scc(-c3ccccc3)c2C(=O)OC)cc1 2314730574 HEFGODVBSGFKFC-UHFFFAOYSA-N 474.582 6.316 50 10 JKGE COc1cc(F)c([C@H](Br)c2cnsc2Br)cc1Br 2315617242 OFBZRBLCUSXGRX-JTQLQIEISA-N 459.960 5.300 50 10 JKGE CCOc1cc(C(=O)Oc2ccc(C=C(C#N)c3ccccc3F)cc2)cc(OCC)c1OCC 2320506754 QTWVQZGXCZCZKZ-UHFFFAOYSA-N 475.516 6.305 50 10 JKGE O=C1C(=Cc2ccc(-c3ccccc3)cc2)Oc2cc(OCc3cccc(CCl)c3)ccc21 2325360463 IMOPICKPCFIWMT-UHFFFAOYSA-N 452.937 7.288 50 10 JKGE CCN(C[C@@](C)(CI)OC[C@H]1C[C@@H](C(F)(F)F)C1)C(=O)OC(C)(C)C 2327819906 VWULHNBCGLVKOH-DVOMOZLQSA-N 479.321 5.042 50 10 JKGE COc1ccc(C=C(C#N)c2cc3c(cc2[N+](=O)[O-])OCCO3)cc1OCc1ccc(Cl)cc1 2331051422 NKOBWLGSLRJQBW-UHFFFAOYSA-N 478.888 5.671 50 10 JKGE CCCOc1ccc(-c2csc(C(C#N)=C(O)CNC(=O)c3ccc(C(C)(C)C)cc3)n2)cc1 2331316178 XVKQGKXXGWIBDU-UHFFFAOYSA-N 475.614 6.119 50 10 JKGE COc1ccc(OC)c(-c2csc(C(C#N)=C(O)Cc3ccc(OCc4ccccc4)cc3)n2)c1 2331324543 NMUKQORBIRFIPK-UHFFFAOYSA-N 484.577 6.442 50 10 JKGE CC[C@H](C)[C@H](C(O)=C(C#N)c1nc(-c2ccc3c(c2)OCO3)cs1)N1C(=O)c2ccccc2C1=O 2331334866 QJOKYFZJCBZVGG-RCDICMHDSA-N 487.537 5.042 50 10 JKGE CCCCCCOc1ccc(C=C(C#N)c2nc(-c3ccc(CCCC)cc3)cs2)cc1OC 2331429254 INFORXDGMSNBRN-UHFFFAOYSA-N 474.670 8.185 50 10 JKGE COc1cccc(C=C(C#N)c2nc(-c3ccc4c(c3)OCCO4)cs2)c1OCc1cccc(C)c1 2331452258 ZFUHRFMBLJLRNV-UHFFFAOYSA-N 496.588 6.542 50 10 JKGE COc1cc(F)ccc1[C@H](Br)c1cc(Br)ccc1OCc1ccccc1 2336043837 IQWQFNPDFXOSKW-NRFANRHFSA-N 480.171 6.660 50 10 JKGE CC(C)Oc1cccc([C@H](Br)c2sc(Cl)cc2I)c1 2338558149 HAQYGLPHYXBISV-ZDUSSCGKSA-N 471.585 6.278 50 10 JKGE Cc1cc(Br)c(F)c(Br)c1[C@H](Br)[C@@H]1C[C@@H]1[C@H]1C[C@H]1C 2339651608 QWHAXMLQKWWBFY-CCUOFAIOSA-N 455.003 6.387 50 10 JKGE CO[C@]1(C(F)F)C[C@H]([C@@H](Br)c2ccc(Br)cc2Br)C1 2343012223 NTGFGSMGDCRCQI-QUUYKZCZSA-N 462.954 5.708 50 10 JKGE ClC[C@@H](Cc1ccc(Cl)c(I)c1)Cc1ccccc1Br 2362377641 DLSYREQYFVTANN-LBPRGKRZSA-N 484.002 6.347 50 10 JKGE Cc1cc(Br)c(C)c([C@H](Cl)c2c(Br)nc(C)n2C)c1Br 2362440716 FEWSYNSDFFKNML-LBPRGKRZSA-N 485.445 5.961 50 10 JKGE CCCc1sc(Br)cc1[C@@H](Br)c1cc(Br)c(F)cc1C 2363256302 NFWCBWNWUXRJEL-HNNXBMFYSA-N 485.054 7.157 50 10 JKGE Cc1c(F)ccc([C@@H](Br)c2cc(Br)c(Br)cc2F)c1Cl 2363893657 JEEPEZWNDDOUNH-CYBMUJFWSA-N 489.379 6.936 50 10 JKGE Fc1c(F)c(F)c([C@H](Cl)c2sc(Cl)cc2I)c(F)c1F 2364125365 SYZNZNQZCLEYDU-YFKPBYRVSA-N 459.004 6.030 50 10 JKGE Clc1cccc(COc2c(CBr)ccc(Br)c2Cl)c1Cl 2364813571 GIZQCASDPAUNSM-UHFFFAOYSA-N 459.392 6.883 50 10 JKGE Cc1cc(Br)c(F)c(Br)c1[C@H](Br)[C@]12CCC[C@H]1OCC2 2365221011 ZAVYWLDQFKLLFL-ONERCXAPSA-N 471.002 6.054 50 10 JKGE Clc1ccc(CN2C[C@H](Br)C3(CCCCC3)C2)c(I)c1 2366700692 AQPIZWVEOIJWRE-HNNXBMFYSA-N 468.604 5.474 50 10 JKGE ClCC(CCl)(Cc1sc(Cl)cc1Br)c1ccccc1Br 2372286778 CQMUNJBQZUQHED-UHFFFAOYSA-N 477.476 6.885 50 10 JKGE Cc1ccc(C[C@@H]2S/C(=C(\C#N)C(=O)NCc3ccccc3)N(c3ccc(Cl)cc3)C2=O)cc1 935213 KFPCPYPHHLONNI-BSSRNLCFSA-N 488.012 5.391 50 10 JKGE Cc1c(Cl)cccc1NC(=O)c1ccc(OCC(=O)N/N=C/c2ccc(Cl)cc2)cc1 959093 ZUAYXTYZPDIDRV-LGJNPRDNSA-N 456.329 5.083 50 10 JKGE CCOc1ccccc1N/C(SCc1ccccc1Cl)=C(/C#N)C(=O)NCc1cccs1 3058956 ZSEZFFGVZJRUJQ-LYBHJNIJSA-N 484.046 6.197 50 10 JKGE CC[C@@H](C)c1ccccc1O[C@H](C)C(=O)NNC(=O)CCCOc1ccc(Cl)cc1Cl 9872570 DHZWNECQDPXIHZ-HZPDHXFCSA-N 467.393 5.281 50 10 JKGE CCCCCN(C(=O)CCCCl)[C@@H](CC)c1nc2ccccc2c(=O)n1-c1ccc(F)cc1 16426265 KBQCWVVLYRCCFY-QHCPKHFHSA-N 472.004 6.014 50 10 JKGE C[C@H](Oc1ccc(Cl)cc1Cl)C(=O)Oc1ccc(/C=C(/C#N)c2ccccc2F)cc1 31901670 UODWYTIRGPYXGS-ZKMNFCBKSA-N 456.300 6.570 50 10 JKGE COc1ccc(-c2nn(-c3ccccc3)cc2/C=C(/C#N)C(=O)N[C@@H](C)c2ccccc2)cc1C 33574675 GKHBXLDXLXEPNM-HLJDWQABSA-N 462.553 5.641 50 10 JKGE N#C/C(=C\c1cn(-c2ccccc2)nc1-c1cccc(OCc2ccccc2)c1)C(=O)N1CCCCC1 35446009 MNTITSRHKDVZMT-LGUFXXKBSA-N 488.591 6.038 50 10 JKGE C=CCOc1ccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)COc4ccc(C)c(C)c4)ccc32)cc1 38658201 QIUQKMIVDHJHOU-MUUNZHRXSA-N 482.536 5.071 50 10 JKGE CCc1ccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)COc4ccc(Cl)cc4)ccc32)cc1 38676874 MGCSLDYCVCZTCF-VWLOTQADSA-N 460.917 5.105 50 10 JKGE CC(C)c1ccc(O[C@@H](C)C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@@H]3c2cccc(F)c2)cc1 38678313 JHIFBFRLVAWOQO-MRDQGFSESA-N 472.516 5.540 50 10 JKGE CCCCOc1ccccc1[C@@H]1C(C#N)=C(N)Oc2cc(OC(=O)COc3ccc(F)cc3)ccc21 38682726 UMYNQJALDMLVBL-MHZLTWQESA-N 488.515 5.207 50 10 JKGE Cc1cccc(Oc2nc3c(C)cccn3c(=O)c2/C=C(/C#N)C(=O)Nc2cccc(Cl)c2)c1 39858624 RNYPVPIADWPHQA-AQTBWJFISA-N 470.916 5.303 50 10 JKGE N#C/C(=C\c1ccc(-c2ccc(Cl)c(Cl)c2)o1)C(=O)Nc1ccc(Cl)c(Cl)c1 39884654 YKPUSROOMRAAKS-KPKJPENVSA-N 452.124 7.106 50 10 JKGE Cc1ccccc1C(=O)N/N=C1\CCCc2oc(C(=O)Nc3ccccc3Br)c(C)c21 40811532 DWDHSEDSWWRPPO-ZXVVBBHZSA-N 480.362 5.382 50 10 JKGE CCOc1ccc([C@@H](O)CCC(=O)N/N=C\c2ccccc2OCc2ccc3ccccc3c2)cc1 58895534 FFTRXNCCRLRZNW-LEWMOKLLSA-N 482.580 5.781 50 10 JKGE C=CCc1cc(/C=N/NC(=O)c2cc3ccccc3o2)cc(OC)c1OCc1ccc(C)cc1 59304770 ZMXBQPYICLHENE-STBIYBPSSA-N 454.526 5.821 50 10 JKGE CCc1ccc(OCC(=O)N/N=C/c2ccc(Sc3nc4ccccc4s3)c([N+](=O)[O-])c2)cc1 59498868 RAXNWSYRPSYIJB-AFUMVMLFSA-N 492.582 5.447 50 10 JKGE Cc1ccc(CS/C(Nc2cccc(Cl)c2)=C(/C#N)S(=O)(=O)c2ccccc2)cc1 96482174 YJLYFFGSZDCCEV-FCQUAONHSA-N 455.004 6.160 50 10 JKGE COc1cc(/C=C2/C(=O)N(Cc3ccccc3Cl)C(=O)C(C#N)=C2C)ccc1OCc1ccccc1 101340866 XZHXHRVGTYETHR-OEAKJJBVSA-N 498.966 5.720 50 10 JKGE COc1cc(/C=C(/C#N)S(=O)(=O)c2ccc(Cl)cc2)ccc1OCc1ccc(C)cc1 103761877 MCHNXAJZIVKPIX-XKZIYDEJSA-N 453.947 5.574 50 10 JKGE N#C/C(=C\Nc1ccc(Cl)c(Cl)c1)c1nc(-c2cc3c(ccc4ccccc43)oc2=O)cs1 103932178 SSMUOWUYTBCWNY-NTCAYCPXSA-N 490.371 7.353 50 10 JKGE Cc1cccc(C)c1N/C(SCc1ccccc1Cl)=C(\C#N)S(=O)(=O)c1ccccc1 104688856 MGESNIIYIJPVOL-GYHWCHFESA-N 469.031 6.469 50 10 JKGE CCCOc1ccc(/C=C(/C#N)C(=O)Nc2sc3c(c2C(=O)OCC)CC[C@@H](C)C3)cc1 108861710 JFALBQJVGVHJCK-VVZNPABPSA-N 452.576 5.384 50 10 JKGE COc1ccc(OC)c([C@H](Br)c2cc(Br)sc2Br)c1 109869680 CLJXJGJVLAIAHX-LBPRGKRZSA-N 471.008 5.775 50 10 JKGE CC(C)(C)c1ccc([C@@H](Br)c2cc(Br)sc2Br)cc1 109870050 ZBIFIEBADLTNBN-CYBMUJFWSA-N 467.064 7.055 50 10 JKGE COc1cc(CBr)cc(Br)c1OCc1sccc1Br 110377817 ONDHITOHBOZJSB-UHFFFAOYSA-N 471.008 5.756 50 10 JKGE CC(C)CCC[C@@H](C)[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@@]21C 118920967 RJYDKYCTOASENH-CLFQKWOMSA-N 491.200 8.957 50 10 JKGE Brc1cc([C@H](Br)[C@H]2Cc3ccccc3O2)sc1Br 128193177 SCAIRTWVWYCJQV-ZYHUDNBSSA-N 452.993 5.713 50 10 JKGE FC(F)Oc1cccc([C@@H](Br)c2cc(Br)c(Br)s2)c1 128198024 JUOCRMWGEJAMLS-SNVBAGLBSA-N 476.962 6.359 50 10 JKGE COc1c(C)cc(Br)c(C)c1[C@@H](Br)c1ccc(Br)c(C)c1 137921257 QDLMTRWRXYTAPM-INIZCTEOSA-N 477.034 6.630 50 10 JKGE COc1cc(/C=N/NC(=O)[C@@H]2C[C@@H]2c2ccc(C(C)(C)C)cc2)cc(Br)c1OC 138624101 UBZDBKMVJINONP-NUEOOLDDSA-N 459.384 5.018 50 10 JKGE Cc1cc([C@H](Br)c2cc(Br)c(Br)s2)c(Cl)cc1F 157303416 JBJNORSZNVLUBD-NSHDSACASA-N 477.418 6.858 50 10 JKGE Brc1cc([C@@H](Br)c2cnn(-c3ccccc3)c2)c(Br)s1 232485028 RLZXWVGZFOLDBC-ZDUSSCGKSA-N 477.019 5.943 50 10 JKGE CCOc1ccc([C@H](Br)c2cc(Cl)ccc2I)cc1 233790685 YQUUQRBIEXOLDP-HNNXBMFYSA-N 451.529 5.828 50 10 JKGE CN(Cc1cc(Br)cs1)c1ccc(CBr)c(Br)c1 234294383 FIYOONHAPZNCMD-UHFFFAOYSA-N 454.025 5.804 50 10 JKGE COc1ccc(C)cc1[C@@H](Cl)c1cc(Br)ccc1I 234851361 ATYSNIXIZOPOGO-HNNXBMFYSA-N 451.529 5.699 50 10 JKGE COc1ccccc1C[C@@H](Cl)c1cc(I)ccc1Br 234882658 OPJJHNADUOEYPX-CQSZACIVSA-N 451.529 5.585 50 10 JKGE COc1ccc([C@H](Br)c2cc(Cl)ccc2I)cc1C 234994413 PSMIXBFUKWVWBM-HNNXBMFYSA-N 451.529 5.746 50 10 JKGE CC(=NNC(=O)c1sc2cccc(Cl)c2c1Cl)c1ccc(NC(=O)c2ccoc2C)cc1 252621779 NGQKQOZASFHZSM-UHFFFAOYSA-N 486.380 6.516 50 10 JKGE CCCc1cc(C(=O)NN=Cc2cc(Br)ccc2OCc2ccc(C)cc2)cs1 254658394 OHKXMBCKVFGQSE-UHFFFAOYSA-N 471.420 6.114 50 10 JKGE C[C@@H]1CCC[C@@](CBr)(NC(=O)c2ccc(Br)cc2Br)C1 300474699 SAPAWEPBBGQVCW-MEBBXXQBSA-N 468.027 5.285 50 10 JKGE CC(C)(C)OC(=O)N1CCC[C@](CI)(OCc2cccc(Cl)c2)C1 303741833 PYFVEWZDXSRMCN-GOSISDBHSA-N 465.759 5.061 50 10 JKGE Brc1cc2c(cc1[C@H](Br)c1ccccc1OCc1ccccc1)CCO2 308429145 CEUWUMTWXRPBKX-JOCHJYFZSA-N 474.192 6.447 50 10 JKGE Cc1cccc(Br)c1[C@H](Br)c1cc(Cl)c(Br)cc1F 312111518 ZGLAFQQMKOYQLN-CQSZACIVSA-N 471.389 6.797 50 10 JKGE Cc1cccc2nc(CCl)n(-c3cc(Br)ccc3I)c12 312203886 AHBSOGLNOLTWRR-UHFFFAOYSA-N 461.528 5.440 50 10 JKGE Cc1ccc2c(c1)nc(CCl)n2-c1cc(I)ccc1Br 312503760 CKJJAWPSODRTSY-UHFFFAOYSA-N 461.528 5.440 50 10 JKGE CCOc1ccc([C@@H](Br)c2c(C)cccc2Br)c(Br)c1 380319630 NKHRNPTWOQCAPI-MRXNPFEDSA-N 463.007 6.403 50 10 JKGE CC(C)(C)[Si](C)(C)OCCN1CCCCC[C@H]1c1cccc(CO[Si](C)(C)C(C)(C)C)c1 616625695 UGQYJMWNQMWYDI-VWLOTQADSA-N 477.882 8.147 50 10 JKGE C[C@H](COCc1ccccc1)CC(CBr)(CBr)c1ccc(Cl)cc1 719435532 BCICMRAEWIKYJX-INIZCTEOSA-N 474.664 6.611 50 10 JKGE CC(C)(C)c1ccc(C(=O)NN=Cc2cc(Cl)ccc2OCc2c(F)cccc2Cl)cc1 725274335 WAZZWGGGNPOJDF-UHFFFAOYSA-N 473.375 6.773 50 10 JKGE CC(=NNC(=O)CSCc1ccccc1)c1ccc2c(c1)[C@@H]1C=CC[C@@H]1[C@H](c1ccc(F)cc1)N2 1084052519 AGVQTZYGTPOMOW-AHPZMPFVSA-N 485.628 6.426 50 10 JKGE COc1c(Cl)cc(Cl)cc1C=NNC(=O)CN(Cc1ccccc1)Cc1ccccc1 1084480628 FEBOSUAHMGAUEP-UHFFFAOYSA-N 456.373 5.155 50 10 JKGE CCOc1cc(C=NNC(=O)[C@H](C)Sc2nc(C)cc(C)n2)ccc1OCc1cccc(Cl)c1 1084507650 IMKPWWFDQUFENK-SFHVURJKSA-N 499.036 5.355 50 10 JKGE O=C(NN=C1C(=O)N(C(c2ccccc2)c2ccccc2)c2ccccc21)c1cc(Cl)ccc1O 1084594868 OCCBRUYQBIEUNL-UHFFFAOYSA-N 481.939 5.316 50 10 JKGE CCOc1ccc([C@@H](O)CCC(=O)NN=Cc2cc(C)n(-c3ccc([N+](=O)[O-])c(Cl)c3)c2C)cc1 1084610857 DANRIWREUUGWLR-DEOSSOPVSA-N 498.967 5.018 50 10 JKGE Cc1ccc2c(CC(=O)NN=C3CCCc4oc(C(=O)N5CCCC[C@@H]5C)c(C)c43)coc2c1C 1772751989 QTMDOOXUQVJISR-KRWDZBQOSA-N 475.589 5.365 50 10 JKGE CC(C)(C)c1ccc(OCC(=O)NN=Cc2ccc(Cl)c(Cl)c2)c(Br)c1 1772756558 ULGKAYDABJRXKF-UHFFFAOYSA-N 458.183 5.583 50 10 JKGE O=C(CSc1nc2ccccc2[nH]1)NN=Cc1c(OCc2ccc(F)cc2)ccc2ccccc12 1772760500 SPIFBFHEDAYQTD-UHFFFAOYSA-N 484.556 5.677 50 10 JKGE CCCc1nn(Cc2cccc(Cl)c2)c2c1[C@@H](c1cccc(Br)c1)C(C#N)=C(N)O2 1865683606 GBJRMUZOOJIMPR-FQEVSTJZSA-N 483.797 5.518 50 10 JKGE CCCc1nn(-c2ccccc2)c2c1[C@@H](c1ccc(OCc3ccc(Cl)cc3)cc1)C(C#N)=C(N)O2 1865695908 VMFLZFUFHSLSPV-SANMLTNESA-N 496.998 6.275 50 10 JKGE CCCCCOc1ccc([C@@H]2C(C#N)=C(N)Oc3c2c(C(F)(F)F)nn3-c2ccccn2)cc1OC 1865696247 LGAAJQKHVPQOHC-HXUWFJFHSA-N 499.493 5.082 50 10 JKGE COc1ccc(-n2nc(-c3ccccc3)c3c2OC(N)=C(C#N)[C@@H]3c2ccc(Cl)c([N+](=O)[O-])c2)cc1 1865706243 RCCFZKAFIYPJPU-QFIPXVFZSA-N 499.914 5.328 50 10 JKGE C/C(=N\NC(=O)c1ccc(-c2ccc(Cl)c(Cl)c2)nc1C)c1ccc2c(c1)N(C)C(=O)[C@@H](C)O2 1865763403 KDFQNXWHNZYXFM-SHCJNDJLSA-N 497.382 5.262 50 10 JKGE CC(C)[C@@H](CC(=O)N[C@@H](Cc1ccccc1)C(=O)Nc1ccc(SC#N)cc1)c1ccc(F)cc1 1866753482 YOQSMXWVSYFNJC-FTJBHMTQSA-N 489.616 5.895 50 10 JKGE Cc1[nH]nc(C(=O)N[C@H](Cc2ccc(F)cc2)C(=O)Nc2ccc(SC#N)cc2)c1-c1ccccc1 1867273307 HNLXOYVLQJYHCJ-HSZRJFAPSA-N 499.571 5.077 50 10 JKGE COc1ccc([C@@H](CC(=O)NCC(=O)Nc2ccc(SC#N)cc2)c2ccccc2)cc1Cl 1868160310 VQTZVIOYFCMVRN-NRFANRHFSA-N 479.989 5.199 50 10 JKGE COc1ccc(CN2C(=O)c3ccc(/C(O)=C(\C#N)c4nc(C(C)(C)C)cs4)cc3C2=O)cc1 1872747504 GPUTYIRRMNJDJV-XDOYNYLZSA-N 473.554 5.195 50 10 JKGE COc1ccc(/C=C(C(/O)=C(\C#N)c2nc(-c3cccc(Cl)c3)cs2)\c2ccccc2)cc1 1872748468 YQMJAXBJQFOZDB-YKGZCTIFSA-N 470.981 7.506 50 10 JKGE Cc1cc(C)c(C)c(-c2csc(/C(C#N)=C(O)/C(=C\c3ccccc3)c3ccccc3)n2)c1C 1872754415 RJUROBJDCNZZFL-URPOQDAJSA-N 462.618 8.077 50 10 JKGE COc1ccc(-c2csc(/C(C#N)=C(O)/C(=C\c3ccccc3)c3ccccc3)n2)cc1Cl 1872757545 KVTRJFJXIDXOPT-NLAALYTPSA-N 470.981 7.506 50 10 JKGE COc1cccc(-c2csc(/C(C#N)=C/c3cc(Br)cc(Br)c3O)n2)c1 1872781372 BTKVIAFOUXXFRG-WLRTZDKTSA-N 492.192 6.113 50 10 JKGE N#C/C(=C(/O)COc1cc(Cl)ccc1Cl)c1nc(-c2ccc(-c3ccccc3)cc2)cs1 1873940636 APDXZYLSLKTIKO-ATJXCDBQSA-N 479.388 7.656 50 10 JKGE CCOc1cc(NC(=O)c2ccccc2)c(OCC)cc1NC(=O)CCCC[C@H]1CCSS1 1874193016 VDAJLAGVOBFBSR-IBGZPJMESA-N 488.675 6.389 50 10 JKGE COC[C@@H]1C[C@H]1[C@H](Br)c1c(Br)sc(Br)c1Cl 1896490489 HKHORTNIDNYSKZ-BFHQHQDPSA-N 453.421 5.645 50 10 JKGE BrCc1cc(Br)c(OC[C@@H]2C[C@@H]2Br)c(Br)c1 1897192958 JUTDJXQZZNPBEX-YUMQZZPRSA-N 477.816 5.269 50 10 JKGE Brc1sc(Br)c([C@@H](Br)CC2COC2)c1Br 1909748959 BROJPTNDDBZGKC-YFKPBYRVSA-N 483.845 5.508 50 10 JKGE CCC[C@@H](CC(C)C)[C@H](Cl)c1c(Br)sc(Br)c1Br 1924604395 BCOVKHHQDGORAQ-KWQFWETISA-N 481.519 7.778 50 10 JKGE CC1(CC[C@H](Cl)c2c(Br)sc(Br)c2Br)CC1 1924612545 CDEUXJXGWNSZFU-LURJTMIESA-N 451.449 6.896 50 10 JKGE CC1(C)CC([C@H](Cl)c2c(Br)sc(Br)c2Br)C1 1924614017 VQOOJLPHXHVTDP-QMMMGPOBSA-N 451.449 6.752 50 10 JKGE CCc1cc(Br)c([C@H](Br)c2ccccc2I)s1 1942100807 CILYALYGLOSEGF-GFCCVEGCSA-N 486.010 6.162 50 10 JKGE CC1(C)C[C@H](C[C@H](Cl)c2c(Br)sc(Br)c2Br)CO1 2041482294 JYBKKRBDOUIPIX-BQBZGAKWSA-N 481.475 6.521 50 10 JKGE CCc1nc([C@@H](Br)c2ccc(F)c(Br)c2)c(Br)s1 2050333213 CSRARTIBQDXVGW-JTQLQIEISA-N 457.988 5.854 50 10 JKGE O=C(N[C@H](CBr)c1ccsc1)c1cc(Br)c(Br)s1 2055484262 SGUHHDDCDWHGEI-MRVPVSSYSA-N 474.037 5.201 50 10 JKGE Fc1cc(Br)c([C@@H](Br)c2csc(Br)c2)c(F)c1Cl 2081842466 BGDVMMWMBMNUNQ-VIFPVBQESA-N 481.381 6.689 50 10 JKGE O=C(NC1(CCCBr)CCC1)c1cc(Br)c(Br)s1 2084965905 JXBLEPOJUQPTJA-UHFFFAOYSA-N 460.029 5.101 50 10 JKGE CC1(C)CC[C@@H](CBr)N(Cc2cccc(Br)c2Br)C1 2092328233 JLZKTNCRYOPXBL-LBPRGKRZSA-N 454.044 5.597 50 10 JKGE CCn1ncc(Br)c1C[C@H](CBr)c1ccccc1Br 2094300262 UTTLCAVSIKRAEY-SNVBAGLBSA-N 451.000 5.149 50 10 JKGE ClCc1ccc(Br)c(Cl)c1N1C[C@H]2CCN(Cc3ccccc3)C[C@H]2C1 2098116836 KQYWAEXOUMUSFG-MSOLQXFVSA-N 454.239 5.800 50 10 JKGE Clc1nc(N2C[C@H]3CC[C@H]2[C@H]2CN(Cc4ccccc4)C[C@H]32)sc1CBr 2099096256 DZTBVKUPKXKBIK-NCOADZHNSA-N 452.849 5.038 50 10 JKGE C[C@H]1CC[C@H](CC(CBr)(CBr)c2ccc(Br)cc2)C1 2101721696 FPJGCFFMOFSGPE-STQMWFEESA-N 453.056 6.303 50 10 JKGE FC1(F)CC2(CC([C@@H](Br)c3cc(Br)ccc3Br)C2)C1 2102615867 QGRIPUGWBSCUPK-GFCCVEGCSA-N 458.966 6.473 50 10 JKGE C[C@@]1(CBr)CC(F)(F)CN1Cc1cccc(Br)c1Br 2102794862 MEKARHAWQIVQAM-LBPRGKRZSA-N 461.970 5.206 50 10 JKGE CC[C@H]1CN(C(=O)OCc2ccccc2)[C@H](CC)CN1CC1(CBr)CCCCC1 2106705254 CAJCYBIARYMAST-FCHUYYIVSA-N 465.476 5.843 50 10 JKGE C[C@H](c1nscc1Br)N(C)c1ccc(CBr)cc1Br 2130033356 SNNLBOKTTQQGBU-MRVPVSSYSA-N 469.040 5.760 50 10 JKGE CC1(C)CCC[C@@H]([C@H](Br)c2ccc(Br)cc2Br)CC1 2138864713 PECAARGGRAIHND-ABAIWWIYSA-N 453.056 7.254 50 10 JKGE Cc1c(Br)ccc([C@H](Br)C(C)(C)[C@H]2CCCO2)c1Br 2138865081 QANKZFPSIOGWQR-OCCSQVGLSA-N 455.028 6.161 50 10 JKGE Cc1ccc(C(CBr)(CBr)Cc2cc(Br)sn2)cc1 2139780876 RKQCFRCZFSJSAA-UHFFFAOYSA-N 468.052 5.484 50 10 JKGE COCC12CC([C@H](Cl)c3c(Br)sc(Br)c3Br)(CO1)C2 2141164584 MRYSRGYRZZFJCN-HUUUCTMMSA-N 495.458 5.511 50 10 JKGE CC(C)[C@@H]1CC[C@@H](Br)[C@@H](Cc2ccc(I)c(Cl)c2)C1 2142954230 VZGDFWSSEWSALF-HZSPNIEDSA-N 455.605 6.323 50 10 JKGE Brc1cc([C@H](Br)Cc2cc3ccccc3cn2)sc1Br 2151357226 RNPHVZOLOLREDU-GFCCVEGCSA-N 476.031 6.500 50 10 JKGE BrCc1ccc(Br)cc1N1CCC[C@]2(CN(Cc3ccccc3)CCO2)C1 2151739192 MFWIUJSFCKZITI-QFIPXVFZSA-N 494.271 5.215 50 10 JKGE C[C@H](Cl)c1nc2cc(I)c(F)cc2n1[C@@]12C[C@H]1CN(Cc1ccccc1)C2 2155865702 TWRGABPLBFCUMP-XLDJFRKUSA-N 495.767 5.311 50 10 JKGE C[C@@H]1CCN(Cc2ccccc2)C[C@H]1n1c(CCl)nc2cc(Br)c(Cl)cc21 2159867060 WFTGJBCGLYZZQY-JLTOFOAXSA-N 467.238 6.274 50 10 JKGE Brc1ccc(Br)c(CN2CC[C@@H]3CC[C@H](Br)C[C@H]3C2)c1 2204094125 JCFRZWPSVLAGJV-OBJOEFQTSA-N 466.055 5.597 50 10 JKGE Oc1nc2ccc([C@@H](Cl)c3ccc(Br)cc3I)cc2o1 2207271279 HMOPEJKQPABZOM-CYBMUJFWSA-N 464.484 5.229 50 10 JKGE BrC[C@@H](Cc1cccc(Br)c1)Cc1cscc1Br 2219913927 XAGCERFEEFSZPV-NSHDSACASA-N 453.037 6.069 50 10 JKGE CC1(COC2(CI)CCN(C(=O)OC(C)(C)C)CC2)CC2(CCC2)C1 2220950524 QJHSNUNLKJFFRC-UHFFFAOYSA-N 463.400 5.178 50 10 JKGE Cc1csc([C@H](Cl)c2c(Br)cc(Cl)c(Cl)c2Cl)c1Br 2224303082 RVUOJPXRXIMQBM-LLVKDONJSA-N 483.867 7.870 50 10 JKGE Fc1cc(Br)c(Br)cc1[C@H](Br)CC[C@H]1CCCCO1 2225615904 AUVYWWFGGDVDDD-MWLCHTKSSA-N 458.991 6.136 50 10 JKGE Cc1sc([C@@H](Br)c2cc(Br)c3c(c2)CCO3)cc1Br 2226083527 CEWBBJCIZCEJML-ZDUSSCGKSA-N 467.020 6.001 50 10 JKGE Cc1cc(Br)c([C@@H](Cl)c2cn(C)nc2Br)c(C)c1Br 2227350610 IIFUAPYUKBVBGI-LBPRGKRZSA-N 471.418 5.653 50 10 JKGE COc1cc(Br)c([C@H](Cl)c2ccc(I)cc2)cc1C 2227732833 RYUHWDKXZQPXJF-OAHLLOKOSA-N 451.529 5.699 50 10 JKGE Clc1cc(Cl)cc([C@H](Cl)c2c(Br)cc(Cl)c(Cl)c2Cl)c1 2232509663 DPJLUXUFHLQHLV-NSHDSACASA-N 453.805 8.044 50 10 JKGE C[C@@H](CCn1c([C@@H](C)Cl)nc2c(F)cc(Br)cc21)N(C)Cc1ccccc1 2232914827 BFJRDIBNRPNYBH-LSDHHAIUSA-N 452.799 6.148 50 10 JKGE Brc1cccc(Br)c1CN1CC[C@@H]2[C@@H](Br)CCC[C@@H]2C1 2233851415 AIUHAQGXKLXQKN-DYEKYZERSA-N 466.055 5.597 50 10 JKGE COc1cc(Br)c([C@@H](Br)c2cc(F)ccc2Br)cc1C 2236006301 CLCZJRSEQUZWPR-OAHLLOKOSA-N 466.970 6.152 50 10 JKGE COc1cc(Br)c([C@H](Br)c2cc(C)cc(Br)c2)cc1C 2236006998 HGKJLGUDLYVDJV-MRXNPFEDSA-N 463.007 6.321 50 10 JKGE Cc1cc(Br)c([C@@H](Br)c2cc(Br)c3c(c2)C[C@@H](C)O3)s1 2237635614 QECADLPBPVHECV-UHLUBPPHSA-N 481.047 6.389 50 10 JKGE Cn1nc([C@H](Br)c2ccc3c(c2Br)CCO3)c(Br)c1Cl 2238068446 VPFDCCHJGVUUGZ-SNVBAGLBSA-N 485.401 5.018 50 10 JKGE Cc1ccc(I)c([C@@H](Br)c2ccc([C@H]3CCOC3)s2)c1 2240998616 XRBGZVRRBHEHCD-MEDUHNTESA-N 463.178 5.649 50 10 JKGE CC[C@H](Br)CN(Cc1ccccc1)C(=O)c1c(F)cccc1I 2243447203 URJLYGXWBANECN-AWEZNQCLSA-N 490.154 5.246 50 10 JKGE Cc1cc(Br)c([C@@H](Br)c2c(F)cccc2I)s1 2247988322 ULEPRXQFPKZVHJ-NSHDSACASA-N 489.973 6.047 50 10 JKGE Brc1cnc(N2C[C@H](Br)C[C@H]3CCCC[C@@H]32)c(Br)c1 2264948768 RUYFDUHGLQIJKI-XWIASGKRSA-N 453.016 5.139 50 10 JKGE Fc1cc(Br)c(F)c(Br)c1[C@@H](Br)[C@@H]1[C@H]2[C@H]3C[C@@H]1C[C@H]32 2272848331 UZOWMMGMHSMECR-FTASENKQSA-N 456.950 5.828 50 10 JKGE Cc1ccc(F)c([C@H](Br)Cc2cc(Br)cc(Br)c2)c1 2277960985 ODGIZVGTVPGYMZ-CQSZACIVSA-N 450.971 6.338 50 10 JKGE COc1cc(OC)c([C@@H](Br)c2cc(Br)c(Cl)s2)cc1Cl 2279158004 KRRMAHQMGHZZIW-GFCCVEGCSA-N 461.002 6.319 50 10 JKGE COc1ccc([C@@H](Cl)c2cc(C)c(Br)c(C)c2)cc1I 2285014296 VIKCGEUHKCIUHV-MRXNPFEDSA-N 465.556 6.007 50 10 JKGE C=CC[C@@]1(CBr)CCCCN1C(=O)c1scc(Br)c1Br 2287750110 DWPFUJZDOUJDPU-AWEZNQCLSA-N 486.067 5.609 50 10 JKGE C=CCc1ccc(OCCOc2ccc(C=C(C#N)C(=O)Nc3ccc(C)cc3)cc2)c(OC)c1 2293730044 WAOJNXKOCIGWLL-UHFFFAOYSA-N 468.553 5.736 50 10 JKGE N#CC(=Cc1ccccc1OC(=O)c1cccc2ccccc12)C(=O)Nc1cc(Cl)cc(Cl)c1 2294510961 FABMLIDLVNKUER-UHFFFAOYSA-N 487.342 6.911 50 10 JKGE CCOc1cc(C=C(C#N)C(=O)Nc2ccc(NC(C)=O)cc2)ccc1OCc1ccc(Cl)cc1 2295459645 JBJMEOUGSNNPPP-UHFFFAOYSA-N 489.959 5.822 50 10 JKGE COc1cccc(C=C(C#N)C(=O)Nc2nccs2)c1OCc1cccc(C(F)(F)F)c1 2295672209 BEGYGNAKWYBGHH-UHFFFAOYSA-N 459.449 5.295 50 10 JKGE COc1cc(C=C(C#N)c2nc(-c3cccc4ccccc34)cs2)cc(Br)c1O 2296768596 COFXQSYSZBREPI-UHFFFAOYSA-N 463.356 6.504 50 10 JKGE Cc1ccc(C[C@H]2SC(=C(C#N)C(=O)Nc3ccc(Cl)cc3)N(c3ccccc3)C2=O)cc1 2296834395 FQQWLUNPYUVRTO-HSZRJFAPSA-N 473.985 5.713 50 10 JKGE N#CC(C=C1C(=O)N(c2c(Cl)cccc2Cl)c2ccccc21)=C(N)NCc1ccccc1 2297330383 YSGPDSCBKMWRKF-UHFFFAOYSA-N 461.352 5.539 50 10 JKGE C[C@]1([C@@H](Br)c2cc(Br)ccc2OCc2ccccc2)CCCCO1 2299520802 CHXHNNQVYHLHNH-VQTJNVASSA-N 454.202 6.423 50 10 JKGE C[C@]1(C(F)F)C[C@H]1[C@H](Br)c1ccc(OCc2ccccc2)cc1Br 2299532322 FVOACRKMFKTPDB-WDYCEAGBSA-N 460.156 6.755 50 10 JKGE Cc1ccc(NC(=O)C(C#N)=Cc2cc(Cl)c(OCc3ccc4ccccc4c3)c(Cl)c2)cc1 2313567242 FCNAZAVHZWZAJF-UHFFFAOYSA-N 487.386 7.580 50 10 JKGE Cc1ccc(P(=O)(C(=CSc2ccc(Cl)cc2)C(C)(C)C)c2ccc(C)cc2)cc1 2313585803 FQSDPPBQXRAIGV-UHFFFAOYSA-N 455.003 7.951 50 10 JKGE N#CC(=Cc1cn(Cc2ccc(Cl)cc2)c2ccc(Br)cc12)C(=O)NC[C@@H]1CCCO1 2313624331 PTRRGXASGLFMCO-NRFANRHFSA-N 498.808 5.308 50 10 JKGE CCOc1cc(C=C(C#N)C(=O)Nc2ccc(Cl)c(Cl)c2)ccc1OCc1ccc(F)cc1 2313630608 CQMIAGYTRDJWCH-UHFFFAOYSA-N 485.342 6.656 50 10 JKGE Fc1cc(Cl)c(Br)c(Cl)c1[C@@H](Cl)c1sccc1Br 2313748662 KUZPYCAYHUCNOO-SNVBAGLBSA-N 453.385 7.047 50 10 JKGE CC[C@@H](c1ccccc1)[C@@H](Br)c1sc(Cl)cc1I 2316598353 BVJSBXCDSJCUFP-GXFFZTMASA-N 455.586 6.636 50 10 JKGE CCOc1ccc(C=CC(=O)Oc2cccc(C=C(C#N)c3ccc(OC)c(OC)c3)c2)cc1OC 2320511415 UKRCYPPRYISWEQ-UHFFFAOYSA-N 485.536 5.794 50 10 JKGE Cc1nc(-c2ccc(Cl)c(Cl)c2)ccc1C(=O)NN=Cc1ccc(F)c(Br)c1 2321248643 DEKVWRWVKSYNJV-UHFFFAOYSA-N 481.152 6.029 50 10 JKGE CCOc1cc(C=NNC(=O)c2c(C)ccc3ccccc23)ccc1OCc1ccc(C)cc1 2323674753 XOFRGLATBQHNMC-UHFFFAOYSA-N 452.554 6.198 50 10 JKGE COc1cc2nc(C(C#N)=Cc3ccc(OCc4ccc(F)cc4)cc3)nc(O)c2cc1OC 2331039597 WOLAJHBFMPFOMS-UHFFFAOYSA-N 457.461 5.135 50 10 JKGE CCCCOc1ccc(C(O)=C(C#N)c2nc(-c3ccc(CCCC)cc3)cs2)cc1OCC 2331256568 ANXMBHFGEXCGSQ-UHFFFAOYSA-N 476.642 7.680 50 10 JKGE CCOC(=O)c1ccc(N2C[C@@H](C(O)=C(C#N)c3nc(-c4ccc(Cl)cc4)cs3)CC2=O)cc1 2331299223 JWYKMPNLJXFUAT-KRWDZBQOSA-N 493.972 5.486 50 10 JKGE COc1c(C)cc(C)cc1-c1csc(C(C#N)=C(O)CCCCCNC(=O)c2ccccc2)n1 2331376390 ZRHIBXMOYSMTHU-UHFFFAOYSA-N 475.614 6.219 50 10 JKGE CC1([C@@H](Br)c2cc(Br)ccc2OCc2ccccc2)CCCCCCC1 2336038523 OKUAYMUJOLGWER-QFIPXVFZSA-N 480.284 8.215 50 10 JKGE Cc1c(Cl)sc(Cl)c1[C@H](Br)c1cc(Br)c(F)cc1Cl 2336088289 DWZXNXXPHFDYQH-SNVBAGLBSA-N 467.412 7.403 50 10 JKGE CCCc1sc(Br)cc1[C@@H](Br)c1ccc(Cl)c(Br)c1 2338019380 CYHBIRPDPLHMNL-AWEZNQCLSA-N 487.482 7.363 50 10 JKGE Cc1cc(Br)c(F)c(Br)c1[C@@H](Br)C12CCC(CC1)C2 2339677395 CDRLBWLUCGSZGV-JBLLZRQOSA-N 455.003 6.675 50 10 JKGE Fc1cc(Cl)c([C@@H](Cl)c2ccc(OCc3ccccc3)cc2Br)c(Cl)c1 2340798579 MNPQGZKPSYSKRM-FQEVSTJZSA-N 474.584 7.802 50 10 JKGE C[C@H](Br)C[C@H]1CCCCN1Cc1ccc(Cl)cc1I 2341059571 MFIMETLMYYKZDY-SMDDNHRTSA-N 456.593 5.473 50 10 JKGE Clc1ccc([C@@H](CI)OCc2cccc(I)c2)cc1 2341611697 LUWOCTAHTRPNIY-OAHLLOKOSA-N 498.529 5.638 50 10 JKGE Cc1c(Br)ccc([C@H](Br)[C@@H]2CC[C@H]2C(C)(C)C)c1Br 2343073393 SYFRSWQTUDEDED-IXPVHAAZSA-N 453.056 7.028 50 10 JKGE BrCc1cc(Br)c(OC[C@@H]2O[C@H]3CC[C@H]2C3)c(Br)c1 2352562248 NTZVLTXWIHBZNB-KWBADKCTSA-N 454.984 5.053 50 10 JKGE Cc1cccc([C@H](Br)c2c(Cl)cc(Br)c(F)c2Br)c1F 2362229819 LUWCSLOYTQWMKX-NSHDSACASA-N 489.379 6.936 50 10 JKGE Fc1cc(F)cc([C@H](Br)c2c(Cl)cc(Br)c(F)c2Br)c1 2362230457 QGWUAQKRQAEJBL-NSHDSACASA-N 493.342 6.767 50 10 JKGE Fc1c(Br)cc(Cl)c([C@@H](Cl)Cc2ccccc2Cl)c1Br 2362236268 BYEJNIHLSZQWIT-JTQLQIEISA-N 461.383 7.180 50 10 JKGE Cc1nc(Br)c([C@H](Cl)c2c(F)cc(Cl)c(Br)c2Cl)n1C 2362490989 YTDQBDSSJQIWPU-SNVBAGLBSA-N 465.375 6.028 50 10 JKGE COc1cc(F)c([C@@H](Cl)c2c(Br)c(Br)nn2C)cc1Br 2364228940 SQNJOXHLLRTQQX-SNVBAGLBSA-N 491.380 5.184 50 10 JKGE CC1(C)COC[C@@H]1CC(CBr)(CBr)c1ccc(Br)cc1 2364480918 XGWLJFRHXSBBNI-ZDUSSCGKSA-N 469.055 5.539 50 10 JKGE ClC[C@H](Cc1ccc(Br)cc1)Cc1ccc(Cl)cc1I 2366711210 HSEQUZSWWPQZSC-GFCCVEGCSA-N 484.002 6.347 50 10 JKGE Clc1ccc(I)cc1CO[C@H](CBr)c1ccccc1Cl 2380353184 IFLYANHLZZAABM-OAHLLOKOSA-N 485.974 6.251 50 10 JKGE C/C(=N/NC(=O)c1csc(-n2nc(C(F)(F)F)cc2-c2ccccc2)n1)c1ccc(Cl)cc1 8694816 AEVSRJLFZYUCLP-QDTIIGTASA-N 489.910 5.822 50 10 JKGE Cc1ccc(/C=N/NC(=O)COc2ccc3cc(Br)ccc3c2Br)c(C)c1 13979673 PCADZUIHCAMZIT-BHGWPJFGSA-N 490.195 5.511 50 10 JKGE C/C(=N\NC(=O)CSCc1ccc(Cl)c(Cl)c1)c1ccc(NC(=O)C(F)(F)F)cc1 20158231 UCJBQCBDMOBSQB-KBKYJPHKSA-N 478.323 5.268 50 10 JKGE COc1cc([N+](=O)[O-])ccc1NC(=O)/C(C#N)=C\c1ccccc1OCc1ccccc1Cl 34877584 RPEZBOLJECQCCK-PDGQHHTCSA-N 463.877 5.381 50 10 JKGE CC(C)(C)c1ccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)Cc4cccc5ccccc45)ccc32)cc1 38649812 RYZDQDWWHFVOMW-PMERELPUSA-N 488.587 6.504 50 10 JKGE CCCCOc1ccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4cccs4)ccc32)cc1OCC 38684047 CYZPZBUAOFBTKE-RUZDIDTESA-N 490.581 5.763 50 10 JKGE N#CC1=C(N)Oc2cc(OC(=O)c3sc4cccc(Cl)c4c3Cl)ccc2[C@H]1c1cccs1 38688365 AQIFEWGJHKUYIQ-GOSISDBHSA-N 499.400 6.707 50 10 JKGE CCCCOc1ccc(/C=C/C(=O)Oc2ccc(/C=C(\C#N)C(=O)NCc3ccco3)cc2)cc1 40926941 IQFIWOFVBROKLB-ITBCIXTCSA-N 470.525 5.301 50 10 JKGE CCc1ccc(NC(=O)/C(C#N)=C/c2ccc(OCc3c(Cl)cccc3Cl)c(OC)c2)cc1 59225035 OZXULFBDKDNQGK-CPNJWEJPSA-N 481.379 6.689 50 10 JKGE BrCCCCCOc1c(Br)cc(Br)cc1Br 70049910 JPSWVQSGLKXEGH-UHFFFAOYSA-N 479.832 5.918 50 10 JKGE CCCCC1CCC(C(=O)N2c3ccc(C(=O)[C@H](Br)C(C)C)cc3C[C@H]2C)CC1 71432714 VKDUWLJNIJTVRO-VSILJMIMSA-N 462.472 6.563 50 10 JKGE CCCCCCCOc1ccc(C(=O)NNC(=O)COc2ccc(CC)cc2Br)cc1 100153765 USUORYXEJQHGDU-UHFFFAOYSA-N 491.426 5.201 50 10 JKGE CCc1ccc(N2C(=O)[C@H](Cc3ccccc3F)S/C2=C(/C#N)C(=O)Nc2ccccc2C)cc1 101244919 FVSOOHUEJLAATO-NNHPPCHPSA-N 485.584 5.762 50 10 JKGE CCCCCCCOc1ccc(/C=C2/C(=O)N(CCCOC(C)C)C(=O)C(C#N)=C2C)cc1OCC 101336308 MDGOXPCVKDJINC-HKOYGPOVSA-N 496.648 5.842 50 10 JKGE Fc1ccc(C(F)(F)F)cc1[C@H](Br)c1cc(Br)c(Br)s1 128289157 HZMFFZKADNWCGX-JTQLQIEISA-N 496.943 6.915 50 10 JKGE C[C@H]1Cc2cc([C@H](Br)c3cc(Br)ccc3Br)ccc2O1 161092663 YRSHKBQZLZRPKA-FVMDXXJSSA-N 460.991 6.019 50 10 JKGE CCCCNC(=O)/C(C#N)=C\c1ccc(OC(=O)/C=C\c2ccccc2OCCCC)c(OC)c1 207150368 VTBNUJBWGYTEPR-CJZWSZBFSA-N 476.573 5.316 50 10 JKGE CCOc1ccc(Br)cc1[C@H](Cl)c1ccc(I)c(Cl)c1 232342202 UXPFNGQIMHSSRE-OAHLLOKOSA-N 485.974 6.434 50 10 JKGE O=C(NC[C@H]1CCCC[C@H]1CBr)c1ccc(Br)cc1Br 232475950 JWZBYBKQDHHUKN-WDEREUQCSA-N 468.027 5.143 50 10 JKGE Cc1cc(Cl)c([C@H](Br)c2cc(Cl)ccc2I)cc1C 235844459 JUWLYCWHDGWINZ-HNNXBMFYSA-N 469.975 6.699 50 10 JKGE C[C@@H]1[C@@H](NC(=O)[C@@H](c2ccc(F)cc2)N(Cc2ccccc2Cl)C(=O)CCl)CCC[C@H]1C 252585684 KIAOROMIOPECFI-JIQZGXBJSA-N 479.423 5.729 50 10 JKGE Fc1ccc([C@@H](Br)c2cc(I)cc3c2OCC3)c(Cl)c1 312377419 QPPQZTCIMFTETR-CQSZACIVSA-N 467.503 5.503 50 10 JKGE Cc1ccc(Br)cc1[C@H]1CN(C(=O)OCc2ccccc2)C[C@H]1CBr 382708607 GFCMLKHYGRCEAC-APWZRJJASA-N 467.201 5.505 50 10 JKGE Oc1c(Cl)cc(Cl)cc1[C@H]1CN(Cc2ccccc2)C[C@@H]1CI 382715937 KJDUFOBFKRXVIF-BBRMVZONSA-N 462.158 5.350 50 10 JKGE Fc1ccc(I)cc1[C@@H]1CN(Cc2ccccc2)C[C@@H]1CBr 382732596 VGRQYJYJOFKHIB-WMLDXEAASA-N 474.155 5.041 50 10 JKGE Brc1cc2c(c([C@H](Br)c3cscc3Br)c1)OCC2 404708507 KZBDYVWNCAAIAW-LBPRGKRZSA-N 452.993 5.692 50 10 JKGE C[C@@H](COc1c(Br)cc(Br)cc1CBr)c1ccccn1 692937428 QHPUFBLEDVWQRY-JTQLQIEISA-N 463.995 5.684 50 10 JKGE CCOc1ccc([C@@H](Br)c2cn(CC)c(Br)n2)cc1Br 698391738 NJVWQXONVGEYDH-CYBMUJFWSA-N 466.999 5.311 50 10 JKGE O=C(CCl)N(c1ccc(Oc2ccccc2)cc1)[C@H](COCc1ccc(F)cc1)c1cccs1 725237935 ABAUINKEHRKLPX-RUZDIDTESA-N 496.003 7.209 50 10 JKGE O=C(NN=Cc1cc(-c2ccccc2)n(-c2ccc(Cl)cc2)c1-c1ccccc1)c1ccc(O)cc1 1083919384 HSGOYBMWMCBQPE-UHFFFAOYSA-N 491.978 6.934 50 10 JKGE CCOc1cc(/C=C(\C#N)C(=O)Nc2ccccc2Cl)ccc1OCc1ccc(Cl)cc1 1084043645 SLKDMIDZBLFYHA-CPNJWEJPSA-N 467.352 6.517 50 10 JKGE Cc1c(C(=O)N2CCCc3ccccc32)oc2c1C(=NNC(=O)c1ccc(Cl)cc1Cl)CCC2 1772749085 WMHSRQFJWQCWID-UHFFFAOYSA-N 496.394 5.958 50 10 JKGE COc1cccc(C(=O)NN=C2CCCc3oc(C(=O)Nc4ccccc4C(F)(F)F)c(C)c32)c1 1772749490 MBBMSCRUFAOOKK-UHFFFAOYSA-N 485.462 5.338 50 10 JKGE Cc1c(C(=O)Nc2ccc(Br)cc2)oc2c1C(=NNC(=O)Cc1ccccc1)CCC2 1772749497 VATYRFPLJKRXMB-UHFFFAOYSA-N 480.362 5.002 50 10 JKGE O=C(CSc1nc(-c2ccc(Cl)cc2)cs1)NN=Cc1ccc(Cl)cc1Cl 1772755199 UJIYCSIJIFUISB-UHFFFAOYSA-N 456.807 6.013 50 10 JKGE CCCCCCOc1ccc(C=NNC(=O)CSc2nc3ccccc3[nH]2)cc1OCC 1772760493 BTLGNQVKQXZFQX-UHFFFAOYSA-N 454.596 5.163 50 10 JKGE CC(=O)O[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)C1=O 1857787885 RCRNHNQUADUPMA-CCCAEZPNSA-N 460.731 6.450 50 10 JKGE CCCc1nn(Cc2ccc(Cl)c(Cl)c2)c2c1[C@@H](c1ccccc1Cl)C(C#N)=C(N)O2 1865685046 CWLQDIKJHXSUTD-FQEVSTJZSA-N 473.791 6.062 50 10 JKGE CCc1nn(Cc2ccc(F)cc2)c2c1[C@H](c1ccc(OCc3ccc(C)cc3)cc1)C(C#N)=C(N)O2 1865692715 HOSQDMFDOOZBTA-HHHXNRCGSA-N 494.570 5.739 50 10 JKGE CCCOc1c(OC)cccc1[C@H]1C(C#N)=C(N)Oc2c1c(CCC)nn2Cc1ccccc1F 1865694356 WZDGGHJQAJVCMO-QHCPKHFHSA-N 476.552 5.039 50 10 JKGE CCc1nn(Cc2ccc(Cl)c(Cl)c2)c2c1[C@@H](c1cn(C)c3ccccc13)C(C#N)=C(N)O2 1865699522 WFSATONBYCLNRE-JOCHJYFZSA-N 478.383 5.510 50 10 JKGE N#CC1=C(N)Oc2c(c(-c3ccccc3)nn2-c2ccccc2Cl)[C@@H]1c1c[nH]c2ccccc12 1865700243 NSQXCCCZORHORF-QHCPKHFHSA-N 463.928 5.892 50 10 JKGE COc1ccc(-c2nn(Cc3ccccc3F)c3c2[C@@H](c2ccccc2C)C(C#N)=C(N)O3)cc1 1865712984 NPKKZTGPSFJYSE-DEOSSOPVSA-N 466.516 5.273 50 10 JKGE CCc1nn(-c2cccc3ccccc23)c2c1[C@@H](c1ccc(Br)cc1)C(C#N)=C(N)O2 1865713975 ADICNKZBQVQAHI-QFIPXVFZSA-N 471.358 5.569 50 10 JKGE N#CSc1ccc(NC(=O)[C@H](NC(=O)[C@H](c2ccc(Cl)cc2)C2CC2)c2ccccc2)cc1 1866999757 BGJJRIVUTDRNGJ-BJKOFHAPSA-N 476.001 5.903 50 10 JKGE COc1ccc2c(c1)CCN(c1cc(Nc3ccc(SC#N)cc3)nc(-c3ccccc3)n1)[C@@H]2C 1868364946 IXBJYBOEMIGQTG-LJQANCHMSA-N 479.609 6.593 50 10 JKGE COc1ccc(-c2csc(/C(C#N)=C(\O)COc3ccc(C)cc3C(C)(C)C)n2)cc1OC 1872745521 REBRQYYHYJACLV-UZYVYHOESA-N 464.587 6.305 50 10 JKGE COc1ccccc1-c1csc(/C(C#N)=C(O)/C=C/c2cc(Br)c(OC)c(OC)c2)n1 1872746890 DYVPBSYACAMKAQ-DFVMKROZSA-N 499.386 6.104 50 10 JKGE COc1cc(/C=C/C(O)=C(\C#N)c2nc(-c3ccc(Cl)cc3)cs2)ccc1OC(C)=O 1872748288 QWZUYWUADQBQIM-CQTCFKAPSA-N 452.919 5.903 50 10 JKGE Cc1ccc(-c2csc(/C(C#N)=C(\O)c3ccc4c(c3)C(=O)N(Cc3ccccn3)C4=O)n2)cc1 1872749124 CBZWCNQXTSJEFI-GYHWCHFESA-N 478.533 5.260 50 10 JKGE CCOc1cc(/C=C(\C#N)c2nc(-c3ccccc3Cl)cs2)ccc1OCc1ccccc1C 1872780489 ASVWCVJFIPGGSF-HYARGMPZSA-N 487.024 7.814 50 10 JKGE CCCCc1ccc(-c2csc(/C(C#N)=C/c3ccc(OCc4ccccc4)cc3)n2)cc1 1872781216 YORVFAGXEJPMBE-NLRVBDNBSA-N 450.607 7.796 50 10 JKGE COC(=O)c1c(NC(=O)c2ccccc2NC(=O)c2ccccc2)sc(/C(C)=C/C#N)c1C 1873428737 UDEJTDXUUGPEJE-FYWRMAATSA-N 459.527 5.275 50 10 JKGE Clc1cc(I)c([C@@H](Cl)c2cccc(I)c2)s1 1900918169 DAZMGFUYDAGEHM-JTQLQIEISA-N 494.950 5.939 50 10 JKGE Cc1cc(Br)c(F)c(Br)c1[C@H](Br)[C@H]1C[C@H]1Br 1901323329 JHTIGVPCXMSGFC-CCGCGBOQSA-N 479.807 5.879 50 10 JKGE BrC[C@@H](C1CC1)N(Cc1ccccc1)c1nc2cc(Br)ccc2o1 1915192266 CVTBGYDOEINCCJ-KRWDZBQOSA-N 450.174 5.770 50 10 JKGE CC12C[C@@H]3C[C@H](C1)CC([C@@H](Br)c1sc(Br)cc1Br)(C3)C2 1922953454 DECVSAZHUFXHEL-LEDWSICFSA-N 483.107 7.316 50 10 JKGE Fc1cc(Cl)ccc1[C@H](Cl)c1c(Br)sc(Br)c1Cl 1923050052 POQZSSXEBWGIQW-QMMMGPOBSA-N 453.385 7.047 50 10 JKGE COc1sc([C@H](Cl)c2cc(Br)c(Br)s2)cc1Br 1946711018 IEVJNDLCJTXZJN-MRVPVSSYSA-N 481.456 6.434 50 10 JKGE Cc1csc([C@H](Br)c2c(Cl)sc(Br)c2Cl)c1Br 1950883124 ZMNYFUWVIDMCAB-ZCFIWIBFSA-N 499.902 7.434 50 10 JKGE Clc1sc(Br)c(Cl)c1[C@@H](Br)c1cc(Br)sn1 1983291403 URUAACOBTBNGFV-YFKPBYRVSA-N 486.863 6.521 50 10 JKGE Brc1ccc([C@H](Br)Cc2ccsc2)c(I)c1 1995284793 SKADNZMHACYUEL-LLVKDONJSA-N 471.983 5.794 50 10 JKGE Cc1cc(Br)c(CBr)c(N(C)[C@@H]2CC[C@@H]2OCc2ccccc2)c1 2005455769 JMUVGLPDUYJIOA-QUCCMNQESA-N 453.218 5.836 50 10 JKGE C[C@]1(C(F)F)C[C@@H]1[C@@H](Br)c1c(Br)sc(Br)c1Cl 2008185389 DAWDCWXVRWFMHE-XZEGNCFFSA-N 473.402 6.654 50 10 JKGE Cc1cc(S(=O)(=O)N(CCN(C)Cc2ccccc2)Cc2ccccc2)cc(CCl)c1F 2034749002 DVAKVZFYZSIOMA-UHFFFAOYSA-N 475.029 5.196 50 10 JKGE COc1ccc(C=C(C#N)C(=O)c2c(-c3ccccc3)n(C)c3ccccc23)cc1Br 2040448549 ZTGBFBNTMUYHIK-UHFFFAOYSA-N 471.354 6.406 50 10 JKGE Cc1c(Br)sc([C@@H](Br)[C@H]2CCCCC23CC3)c1Br 2053369686 APHMJSRUEATMAK-KOLCDFICSA-N 457.069 6.988 50 10 JKGE Cc1sc(Br)c([C@@H](Cl)c2ccc(I)c(Cl)c2)c1C 2082873683 MOOYLFNPOGFLRF-LBPRGKRZSA-N 476.004 6.714 50 10 JKGE Cc1c(Br)ccc([C@H](Br)C2(C(F)(F)F)CC2)c1Br 2083320609 LDXUMVXXZLDXLZ-JTQLQIEISA-N 450.918 6.299 50 10 JKGE Brc1ccc(I)cc1[C@@H](Br)c1ncn2ccsc12 2083984618 CEZZVLSUJMTGOM-SNVBAGLBSA-N 497.981 5.247 50 10 JKGE Cc1cc(Br)c(F)c([C@H](Br)c2sc(C)c(Br)c2C)c1 2089374545 MBLAQIPSSUAYDF-LBPRGKRZSA-N 471.027 6.822 50 10 JKGE CS(=O)(=O)c1csc([C@H](Br)c2cc(Br)cc(Br)c2)c1 2093073830 FXSVTXYDJDPZEO-GFCCVEGCSA-N 489.048 5.161 50 10 JKGE O=S(=O)(c1cc(CCl)oc1Br)N(Cc1ccccc1)CC1CCCCC1 2095813628 LETVHFWFLRQTLA-UHFFFAOYSA-N 460.821 5.552 50 10 JKGE CC[C@@H](Br)[C@H]1CCCCN1C(=O)c1cc(Br)sc1Br 2114193426 OMDJPNNODARHQP-NXEZZACHSA-N 474.056 5.441 50 10 JKGE CC1(C)C[C@@](C)(CBr)CN1Cc1cc(Br)ccc1Br 2134825157 FCSHMRSJSYIYPD-HNNXBMFYSA-N 454.044 5.597 50 10 JKGE Cc1cc(Br)c(C)c([C@@H](Br)C2CC(C(C)C)C2)c1Br 2136375209 SRBRHWUHCCLFHG-PPUFBPAQSA-N 453.056 6.947 50 10 JKGE Fc1cc(F)c(OCc2c(Br)cccc2Br)c(CBr)c1 2150488026 LEFWHZPVNCFGQB-UHFFFAOYSA-N 470.933 5.964 50 10 JKGE BrC[C@@H]1CN(Cc2cccc(Br)c2Br)CCC12CCC2 2151656320 OWZKSFATVIINLW-CYBMUJFWSA-N 466.055 5.599 50 10 JKGE ClCc1nc2cc(Cl)c(Br)cc2n1[C@H]1CCCCN(Cc2ccccc2)C1 2169017520 OJDQXIAGWXIQEN-INIZCTEOSA-N 467.238 6.418 50 10 JKGE CC[C@H](Cl)[C@H]1CCCCN1C(=O)c1ccc(I)c(Br)c1 2170598977 BQPLGYHHIRLSBN-GXTWGEPZSA-N 470.576 5.066 50 10 JKGE CCCC(CBr)(CCC)CN1CCN(C(=O)OC(C)(C)C)[C@H](CC(F)F)C1 2177312424 PPWWJIMAJNRYAE-MRXNPFEDSA-N 455.428 5.544 50 10 JKGE C[C@H](c1cc(C(F)(F)F)cc(C(F)(F)F)c1)[C@@H](CBr)NC(=O)OC(C)(C)C 2178173201 ONZKZDMOQDKODV-NOZJJQNGSA-N 464.244 6.116 50 10 JKGE Clc1cc(Cl)cc(COc2c(Br)cc(Cl)cc2CBr)c1 2197967403 PTSRMGOVRGRKDU-UHFFFAOYSA-N 459.392 6.883 50 10 JKGE Cc1cc(Br)c(C)c([C@H](Br)c2c(F)cccc2Cl)c1Br 2201073301 YVXPRQXUFACBIT-HNNXBMFYSA-N 485.416 7.105 50 10 JKGE COc1cc(Cl)c([C@@H](Br)c2cccc(Br)c2C)cc1Br 2202349683 AFPQLLKWXYXMEH-HNNXBMFYSA-N 483.425 6.666 50 10 JKGE COc1cc(F)c(F)cc1[C@@H](Cl)c1ccc(Br)cc1I 2207261347 KXQWQKLPCPPSJS-AWEZNQCLSA-N 473.482 5.669 50 10 JKGE FC(F)[C@H](Br)Cc1sc(Br)c(Br)c1Br 2209972728 BRTRBFYNQIRCFZ-UWTATZPHSA-N 477.788 5.607 50 10 JKGE Fc1cc(Br)c(Br)cc1[C@H](Br)C1(Br)CCC1 2210496666 YMMGFBAYGWZENB-JTQLQIEISA-N 479.807 6.104 50 10 JKGE Cc1cc(Br)c([C@H](Br)c2ccc(Cl)cc2Cl)c(C)c1Cl 2232531055 XOPHUKISNOGDIM-CQSZACIVSA-N 457.420 7.510 50 10 JKGE Fc1cc(Br)cc2c1nc(CCl)n2CC1(CCOCc2ccccc2)CC1 2232913260 BIUJLTXNXUCORW-UHFFFAOYSA-N 451.767 6.064 50 10 JKGE Cc1cc(Br)c([C@H](Br)Cc2ccc(Cl)cc2)c(C)c1Br 2235603576 JYAIATYNVNTLOM-CQSZACIVSA-N 481.453 7.161 50 10 JKGE Cc1cc(Br)c([C@H](Br)[C@@H](C)C2CCCCC2)c(C)c1Br 2235603631 BQYRXYRPOOYKAL-APPDUMDISA-N 467.083 7.481 50 10 JKGE Cc1cc(Br)c([C@@H](Br)[C@H]2OCCOC2(C)C)c(C)c1Br 2235606551 CLIDPLIEQWVRFK-ZIAGYGMSSA-N 471.027 5.458 50 10 JKGE Cc1c(Br)cccc1[C@H](Br)c1ccc2c(c1Br)CCO2 2238077514 USKZEIASBCCLFT-HNNXBMFYSA-N 460.991 5.939 50 10 JKGE Clc1ccc([C@H](Br)c2ccc3c(c2Br)CCO3)cc1Br 2238083117 VPIPIAHZOHEWDM-AWEZNQCLSA-N 481.409 6.284 50 10 JKGE Cc1sc([C@H](Br)c2ccc(Cl)cc2Br)c(Br)c1C 2253503482 FIWJAIMSNCTXAP-GFCCVEGCSA-N 473.455 7.028 50 10 JKGE Cc1cc(Br)ccc1[C@@H](Br)c1sc(C)c(C)c1Br 2253504186 JDSWETZYJFLNEF-CYBMUJFWSA-N 453.037 6.683 50 10 JKGE COc1ccc([C@@H](Br)c2c(F)cccc2I)cc1Br 2267657310 AOZIXDBAIOYUDC-CQSZACIVSA-N 499.943 5.686 50 10 JKGE Cc1cc(F)c([C@H](Br)c2ccc(Cl)c(I)c2)cc1C 2268276748 WINZXELJYGQPSS-OAHLLOKOSA-N 453.520 6.185 50 10 JKGE CC[C@]12CO[C@]([C@@H](Br)Cc3cc(Br)cc(Br)c3)(C1)C2 2277957076 SDLLPKYFFFNLBT-SOUVJXGZSA-N 453.012 5.477 50 10 JKGE O=C1Cc2cc([C@H](Cl)c3scc(Br)c3Cl)c(Br)cc2N1 2279288601 UKNIIZNFJLHDGP-NSHDSACASA-N 455.986 5.749 50 10 JKGE COc1ccc([C@@H](Br)c2ccc(OC)c(I)c2)c(Cl)c1 2284997068 DQADFIIRLIKCOV-HNNXBMFYSA-N 467.528 5.446 50 10 JKGE C[C@H](c1ccncc1Br)[C@H](Br)c1cc(Br)c(F)cc1Cl 2285977555 GPBCONAAPUPJTI-UOWDBTKRSA-N 486.404 6.639 50 10 JKGE Cn1nc(COc2c(Cl)cc(CBr)cc2Cl)c(Br)c1Cl 2296310502 KOZUSZIVYNWLOR-UHFFFAOYSA-N 463.384 5.617 50 10 JKGE N#CC(C(=O)N1CCCCCC1)=C1S[C@H](Cc2ccccc2Cl)C(=O)N1c1ccccc1 2296507190 XUAYCJACQMRCOM-JOCHJYFZSA-N 466.006 5.169 50 10 JKGE N#CC(=Cc1cn(CCOc2ccc(Cl)cc2)c2ccccc12)C(=O)NCc1cccs1 2313540464 BILWEMMRTWQXAI-UHFFFAOYSA-N 461.974 5.659 50 10 JKGE Clc1cc(Cl)cc([C@H](Cl)c2ccc(OCc3ccccc3)cc2Br)c1 2314452871 REZTYSOKOXCTFP-FQEVSTJZSA-N 456.594 7.663 50 10 JKGE CCc1ccc(N2C(=O)[C@@H](Cc3cccc(C)c3)SC2=C(C#N)C(=O)Nc2cccc(C)c2)cc1 2314591937 IBGVNHBZXCXCMY-AREMUKBSSA-N 481.621 5.931 50 10 JKGE COc1cc(C=C2C(=O)N(Cc3ccc(C)cc3)C(=O)C(C#N)=C2C)ccc1OCCC(C)C 2314616544 DEHMTHZOEQZUPI-UHFFFAOYSA-N 458.558 5.221 50 10 JKGE Clc1ccc(CO[C@H]2CCCCC[C@@H]2I)c(I)c1 2317808794 DDJVRWVLIRWJPL-JSGCOSHPSA-N 490.550 5.598 50 10 JKGE COc1ccc(C(C#N)=Cc2ccc(OC(=O)c3ccc(C(C)(C)C)cc3)c(OC)c2)cc1OC 2320506671 OYWTWZLBHHSZLG-UHFFFAOYSA-N 471.553 6.293 50 10 JKGE N#CC(=CNCc1cccc(Br)c1)C(=O)Nc1ccc(Cl)c(C(F)(F)F)c1 2325385039 BZYMFMGEWWJGBR-UHFFFAOYSA-N 458.665 5.257 50 10 JKGE CCc1cccc(C)c1N1C[C@@H](C(O)=C(C#N)c2nc(-c3ccc(OC)c(OC)c3)cs2)CC1=O 2331242617 UPSQCRPMTAIPEO-IBGZPJMESA-N 489.597 5.544 50 10 JKGE CCOc1cc(C=C(C#N)c2nc(-c3cccc([N+](=O)[O-])c3)cs2)cc(Br)c1O 2331414657 WVFCERQKXAFGQV-UHFFFAOYSA-N 472.320 5.649 50 10 JKGE Cc1cc(Br)c(F)c([C@H](Cl)c2ccc(OCc3ccccc3)cc2Br)c1 2336054606 SZHGBHYZTASAQC-HXUWFJFHSA-N 498.617 7.566 50 10 JKGE CCO[C@@H]1C[C@@H]1[C@@H](Br)c1c(C)cc(Br)c(OC)c1Br 2339652792 CGUIHLFRYFXHEB-MKPLZMMCSA-N 457.000 5.390 50 10 JKGE Fc1ccccc1[C@@H](CBr)Cc1ccc(Cl)cc1I 2341027713 NHTSZKGSONOOBK-LLVKDONJSA-N 453.520 5.805 50 10 JKGE COCc1ccc([C@H](Br)c2cc(Br)c(Br)cc2F)s1 2342279587 AFBBAHDSYDMXAZ-CYBMUJFWSA-N 472.999 6.043 50 10 JKGE Cn1nc(Br)c(Br)c1[C@@H](Br)c1ccc(-c2cccs2)s1 2364069378 IFALKDJTZQSNSW-JTQLQIEISA-N 497.075 6.219 50 10 JKGE COc1cc(Cl)c(CBr)c(N2C[C@H](C)CN(Cc3ccccc3)C[C@H]2C)c1 2365803871 BBBPXWCBHBPYAO-IAGOWNOFSA-N 451.836 5.590 50 10 JKGE CCOc1cccc(Oc2cc(I)ccc2Cl)c1CBr 2367481918 ROMRNGHROCREGT-UHFFFAOYSA-N 467.528 6.031 50 10 JKGE C[C@H]1C[C@H]2C[C@]([C@@H](Br)c3c(Br)cc(Cl)c(Cl)c3Cl)(C2)O1 2368713393 OICHCIKHOOYNPY-ZUVKVVCWSA-N 463.424 6.803 50 10 JKGE O=C(NC1CCCCC1)[C@@H](c1cccc(Br)c1)N(CCC1=CCCCC1)C(=O)CCl 3040219 CIPYOTOILAMTJG-HSZRJFAPSA-N 495.889 5.897 50 10 JKGE N#C/C(=C\c1ccc(Cl)cc1Cl)C(=O)Nc1nc2ccc(OC(F)(F)F)cc2s1 3192575 XLVHYOKBQAPDOX-BJMVGYQFSA-N 458.248 6.047 50 10 JKGE CCSc1sccc1[C@H]1C(C#N)=C(N)N(c2ccccc2C)C2=C1C(=O)C[C@H](c1ccccc1)C2 9982528 SZRMOCQETDPVAJ-IBVKSMDESA-N 497.689 6.867 50 10 JKGE Cc1ccc(N2CSC3=C(C#N)[C@H](c4cccc(OCc5ccccc5)c4)CC(=O)N3C2)cc1C 12251007 GQORMVGEPMHZBD-SANMLTNESA-N 481.621 6.102 50 10 JKGE Cc1cc(OCC(=O)NNC(=O)c2ccc(C(C)(C)C)cc2)c(C(C)C)cc1Br 12493928 AIUWNUGYJVKTMF-UHFFFAOYSA-N 461.400 5.018 50 10 JKGE O=C(N/N=C/c1cccc(Cl)c1Cl)c1[nH]c2ccc([N+](=O)[O-])cc2c1-c1ccccc1 27520386 QJRQGIVPUXIDOQ-BRJLIKDPSA-N 453.285 5.814 50 10 JKGE CCOc1ccc(NC(=O)/C(C#N)=C\c2cc(Cl)ccc2OCc2ccc(C(=O)O)cc2)cc1 34890167 RTKBUMZGCHJZEU-MOSHPQCFSA-N 476.916 5.562 50 10 JKGE COc1ccc(-c2nn(-c3ccccc3)cc2/C=C(/C#N)C(=O)Nc2ccc([N+](=O)[O-])cc2)cc1 34890956 ABAVBJHDNDJHMI-CYVLTUHYSA-N 465.469 5.002 50 10 JKGE CCOC(=O)c1ccc(-c2ccc(/C=C(\C#N)C(=O)Nc3cccc(C(F)(F)F)c3)o2)cc1 38206081 KLYVJTABECPVLG-SFQUDFHCSA-N 454.404 5.688 50 10 JKGE CCCCOc1ccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)COc4cccc(C)c4C)ccc32)cc1 38650848 JXKAIPMXJUACSC-LJAQVGFWSA-N 498.579 5.685 50 10 JKGE CCOc1ccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)COc4ccc(C(C)(C)C)cc4)ccc32)cc1 38685877 JASXIGVPCOQYPP-NDEPHWFRSA-N 498.579 5.585 50 10 JKGE Cc1c(C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@H]3c2ccc(C(C)C)cc2)oc2ccccc12 38687063 RZEARWSEIINBPB-SANMLTNESA-N 464.521 6.302 50 10 JKGE COc1ccc(/C=C(/C#N)C(=O)Nc2cccc(Cl)c2)cc1OCc1c(Cl)cccc1Cl 59117062 WVEKDIHHTZIZAQ-YBEGLDIGSA-N 487.770 6.780 50 10 JKGE COc1cc(/C=N/NC(=O)c2cc3ccccc3o2)cc(Cl)c1OCc1ccc(Cl)cc1 59305089 RGRIMQSLPRCVHG-UVHMKAGCSA-N 469.324 6.091 50 10 JKGE CCOc1cc(/C=N/NC(=O)C(c2ccccc2)c2ccccc2)ccc1OCc1ccccc1 59410697 MOCWVYGPAIEXSE-NJZRLIGZSA-N 464.565 5.947 50 10 JKGE CCOc1ccc2nc(Sc3ccc(/C=N/NC(=O)c4ccc(OC)cc4)o3)sc2c1 59506489 JRKCDAXMMXZYSI-YDZHTSKRSA-N 453.545 5.212 50 10 JKGE CC1=C(C#N)C(=O)N(CCCOC(C)C)C(=O)/C1=C/c1ccc(OCc2ccc(Cl)cc2)cc1 101336338 NIHXPLOSZVXCRO-BUVRLJJBSA-N 478.976 5.326 50 10 JKGE Cl[C@H](c1cc2c(cc1Br)OCCO2)c1ccccc1I 109821870 SOBPLYZZAMJEQV-HNNXBMFYSA-N 465.512 5.153 50 10 JKGE CCc1cc(CC(CBr)(CBr)c2ccccc2Br)n(C)n1 118879007 PEBWXTAPWAUZOS-UHFFFAOYSA-N 479.054 5.015 50 10 JKGE Clc1cccc(Cl)c1[C@@H](Br)c1cc(Br)c(Br)s1 128189632 BOITUFSPDXBIGH-JTQLQIEISA-N 479.846 7.064 50 10 JKGE COc1cc([C@H](Br)c2cccc(Br)c2C)c(OC)cc1Br 134295233 DGBZKNQWYXJEJQ-MRXNPFEDSA-N 479.006 6.022 50 10 JKGE CC[C@H](C)c1ccc([C@@H](Br)c2cc(Br)ccc2Br)cc1 161082112 DKLNQMPPDFPWMG-APPDUMDISA-N 461.035 7.209 50 10 JKGE OB(O)c1cn(C(c2ccccc2)(c2ccccc2)c2ccccc2)nc1-c1ccc(C(F)(F)F)cc1 196784004 WICVLMJHGITYIM-UHFFFAOYSA-N 498.313 5.089 50 10 JKGE CCCCCOc1ccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)/C=C\c4ccc(C)cc4)ccc32)cc1 205660511 LTXQGIQRZHZLKD-OXOINDHBSA-N 494.591 6.401 50 10 JKGE CCOc1cc(/C=C2\C(=O)N(Cc3ccccc3)C(=O)C(C#N)=C2C)ccc1OCc1ccccc1F 214283430 NEDQHPPCHAXOSC-IWIPYMOSSA-N 496.538 5.596 50 10 JKGE CCC[C@@H](CCBr)CNC(=O)c1cc(Br)sc1Br 227503786 GHMXMTHLISLWEY-QMMMGPOBSA-N 462.045 5.204 50 10 JKGE CCOc1ccc([C@@H](Br)c2ccc(Br)cc2Cl)cc1Br 228997879 AMBPCPIUOMFTNX-OAHLLOKOSA-N 483.425 6.748 50 10 JKGE COc1ccc([C@@H](Cl)c2cc(Br)cc(Br)c2)c(Br)c1 234974474 SZBROSXQAQIGKB-AWEZNQCLSA-N 469.398 6.311 50 10 JKGE Cc1ccc([C@H](Br)c2cc(Br)ccc2I)c(C)c1 235909122 LQPBSLKTBQGEIC-HNNXBMFYSA-N 479.981 6.155 50 10 JKGE CCCc1ccc(-c2cc(C(=O)NN=Cc3ccc(OC)c(OC)c3)c3ccccc3n2)cc1 252621210 MVHBMTJZFUONPI-UHFFFAOYSA-N 453.542 5.635 50 10 JKGE O=C(COc1ccc(Cl)cc1Cl)NN=Cc1cn(-c2ccccc2)nc1-c1cccs1 254739572 NSGYCKDSIZEDNC-UHFFFAOYSA-N 471.369 5.437 50 10 JKGE CC(=NNC(=O)c1cc(-c2ccccc2Cl)nc2ccccc12)c1cccc(NS(C)(=O)=O)c1 254797239 KACZTMXROWANTA-UHFFFAOYSA-N 492.988 5.081 50 10 JKGE Cc1c(Br)cccc1[C@@H](Br)c1cc2c(cc1Br)OCC2 308417285 PKXVBBHRKJYYPY-MRXNPFEDSA-N 460.991 5.939 50 10 JKGE Clc1cc(Cl)cc([C@H](Br)c2cc(I)cc3c2OCC3)c1 379962154 GKGLIQOFBHPLQS-AWEZNQCLSA-N 483.958 6.017 50 10 JKGE C[C@H](Cl)c1nc2cc(I)ccc2n1Cc1ccc(Br)o1 381043661 OQGRDFWYIPDDPI-QMMMGPOBSA-N 465.516 5.345 50 10 JKGE FC(F)(F)c1csc([C@@H](Cl)c2ccc(Cl)cc2Br)c1Br 383668497 SJYQSTDLQPAUDO-JTQLQIEISA-N 468.947 7.274 50 10 JKGE C[C@@H](Cl)c1nc2cc(Br)ccc2n1CCCN(Cc1ccccc1)Cc1ccccc1 390656446 OXPWGKOBFMNHLV-HXUWFJFHSA-N 496.880 7.191 50 10 JKGE CC(C)(C)OC(=O)NCCN1CCC(c2cccc(CCO[Si](C)(C)C(C)(C)C)c2)CC1 616620043 UONMOZTTWDWNQC-UHFFFAOYSA-N 462.751 5.955 50 10 JKGE O=P(c1ccccc1)(c1ccccc1)c1ccc(-c2nc3cccc4oc5ccccc5n2c34)cc1 642813796 ZHVBUWOXLFVMES-UHFFFAOYSA-N 484.495 6.540 50 10 JKGE CC1(C)C[C@H](Br)C[C@@H](NC(=O)c2ccc(Br)cc2Br)C1 693892088 KBOXQDMBOQBVQM-GHMZBOCLSA-N 468.027 5.284 50 10 JKGE O=C(NC[C@H]1CCC[C@@H](CBr)C1)c1scc(Br)c1Br 705420407 RVZKRZYDKWHWFS-BDAKNGLRSA-N 474.056 5.204 50 10 JKGE CO[C@@](C)(COCc1ccccc1)Cn1c(CCl)nc2cc(Br)c(F)cc21 705660584 UEHZTJNNDNPPGG-HXUWFJFHSA-N 455.755 5.299 50 10 JKGE Clc1ccc([C@H](Br)c2scc(Br)c2Br)cc1Cl 707806404 LAOFOXWJZJGDPF-VIFPVBQESA-N 479.846 7.064 50 10 JKGE CN(Cc1ccccc1)C(C)(C)Cn1c(CCCl)nc2cc(I)ccc21 714229254 YUCXEXSUFJXFBF-UHFFFAOYSA-N 481.809 5.333 50 10 JKGE Cc1cc(Br)ccc1[C@@H](Br)c1sc(C)c(Br)c1C 724929261 VYMHXCBEZGDUAZ-CYBMUJFWSA-N 453.037 6.683 50 10 JKGE COc1cc(/C=C(\C#N)C(=O)Nc2ccccc2)cc(Br)c1OCc1ccccc1Cl 725406846 VSVRTJKVYJETPN-WOJGMQOQSA-N 497.776 6.236 50 10 JKGE Cc1cc(C)cc(-n2c(C)c(Br)c(C=NNC(=O)c3cc4ccccc4cc3O)c2C)c1 1083971858 BWMOSEAALIVKPT-UHFFFAOYSA-N 490.401 6.096 50 10 JKGE COc1cc(/C=C(\C#N)C(=O)Nc2cccc(Cl)c2Cl)ccc1OCc1cccc(C)c1 1083998409 PGICKEYFXJIPTN-XDHOZWIPSA-N 467.352 6.435 50 10 JKGE C=CCc1cc(C=NNC(=O)c2cc3ccccc3o2)cc(OC)c1OCc1ccc(C)cc1 1084155571 ZMXBQPYICLHENE-UHFFFAOYSA-N 454.526 5.821 50 10 JKGE Cc1ccsc1C=NNC(=O)c1ccccc1N(Cc1ccccc1)S(=O)(=O)c1ccccc1 1084608167 IQRNBFOOGOIPSC-UHFFFAOYSA-N 489.622 5.216 50 10 JKGE CCOc1cc(C=NNC(=O)CCCOc2ccc(Cl)cc2Cl)cc(Br)c1O 1772719623 GFAFAJXBANMGMC-UHFFFAOYSA-N 490.181 5.170 50 10 JKGE Cc1cc(OC(=O)c2oc3c(c2C)C(=NNC(=O)c2ccc([N+](=O)[O-])cc2)CCC3)ccc1Cl 1772744335 VCJOCSCRFGQAPR-UHFFFAOYSA-N 481.892 5.148 50 10 JKGE COc1cccc(C(=O)NN=C2CCCc3oc(C(=O)Oc4cccc5ccccc45)c(C)c32)c1 1772747388 OBGWHLVFVJUKRZ-UHFFFAOYSA-N 468.509 5.439 50 10 JKGE Cc1ccc(NC(=O)c2oc3c(c2C)C(=NNC(=O)c2cncc(Br)c2)CCC3)cc1C 1772748399 WVTZWVVOIOWYAU-UHFFFAOYSA-N 495.377 5.085 50 10 JKGE CCCCOc1ccc(C=NNC(=O)COc2ccc(C(C)(C)C)cc2Br)cc1OC 1772755766 RELJFXKIQOGAAG-UHFFFAOYSA-N 491.426 5.463 50 10 JKGE O=C(CC(c1ccccc1)c1ccccc1)N/N=C1\C(=O)N(Cc2ccccc2Cl)c2ccccc21 1860823157 VIJZMZPONJRMEX-IYOYZZHUSA-N 493.994 5.929 50 10 JKGE CCOc1cc([C@H]2C(C#N)=C(N)Oc3c2c(-c2ccccc2)nn3Cc2cc(C)ccc2C)ccc1O 1865681523 POYBXVSXOBLKSC-SANMLTNESA-N 492.579 5.538 50 10 JKGE CCc1nn(-c2ccc(OC)cc2)c2c1[C@@H](c1ccc(OCc3ccc(C)cc3)cc1)C(C#N)=C(N)O2 1865693322 NCWOEWZWBNDJBO-MHZLTWQESA-N 492.579 5.549 50 10 JKGE CCCc1nn(-c2cccc3ccccc23)c2c1[C@@H](c1cc(OC)ccc1OC)C(C#N)=C(N)O2 1865693471 WCPFATXNLUVXMQ-VWLOTQADSA-N 466.541 5.213 50 10 JKGE CCCc1nn(Cc2ccc(F)cc2)c2c1[C@@H](c1ccc(N(CC)CC)cc1)C(C#N)=C(N)O2 1865702276 RFPVWHPICNHUHM-DEOSSOPVSA-N 459.569 5.087 50 10 JKGE CCCc1nn(CC(C)C)c2c1[C@H](c1ccc(OCc3ccccc3C)cc1)C(C#N)=C(N)O2 1865702806 FORFLPDJFAFIEN-RUZDIDTESA-N 456.590 5.597 50 10 JKGE COc1cccc([C@H]2C(C#N)=C(N)Oc3c2c(-c2ccccc2)nn3C)c1OCc1cccc(C)c1 1865705344 STDPBWKKSUJNOZ-DEOSSOPVSA-N 478.552 5.201 50 10 JKGE N#CC1=C(N)Oc2c(c(-c3ccccc3)nn2Cc2ccc(Cl)c(Cl)c2)[C@@H]1c1ccccc1O 1865707892 ITZYKEAOIRZGHJ-JOCHJYFZSA-N 489.362 5.829 50 10 JKGE CC[C@](C)(NC(=O)Cc1nc(-c2ccccc2Cl)oc1C)C(=O)Nc1ccc(SC#N)cc1 1866665607 RFYHCCFBQPDKOW-DEOSSOPVSA-N 482.993 5.343 50 10 JKGE CSCC[C@@H](NC(=O)[C@@H](c1ccc(F)cc1)C(C)C)C(=O)Nc1ccc(SC#N)cc1 1866968812 MHNOSTWFERVQFQ-NHCUHLMSSA-N 459.612 5.015 50 10 JKGE Cc1nc(Nc2ccc(SC#N)cc2)cc(N2CCN(CCc3cccc(Cl)c3)CC2)n1 1868480242 IPVJSJDPQRAMHC-UHFFFAOYSA-N 465.026 5.120 50 10 JKGE COc1cc(/C=C(\C#N)c2ncccc2[N+](=O)[O-])ccc1OCc1ccc(Br)cc1 1872729113 OJWCTMJHZBRFDO-GZTJUZNOSA-N 466.291 5.404 50 10 JKGE CC(C)CN1C(=O)c2ccc(/C(O)=C(\C#N)c3nc(-c4ccc(Cl)cc4)cs3)cc2C1=O 1872748243 OTSKXVHDOUVGTK-VZCXRCSSSA-N 463.946 5.665 50 10 JKGE COc1ccc(C(C)(C)C)cc1-c1csc(/C(C#N)=C(\O)c2ccc(Cl)c([N+](=O)[O-])c2)n1 1872751445 IEXWYEXODSMHBP-PGMHBOJBSA-N 469.950 6.628 50 10 JKGE N#C/C(=C(O)\C=C/c1ccc2c(c1)OCCO2)c1nc(-c2ccc(Oc3ccccc3)cc2)cs1 1872753743 KXQMDNKNEOENSD-ABAFYVDZSA-N 480.545 6.880 50 10 JKGE COc1ccc(-c2csc(/C(C#N)=C/c3cc(Br)c(O)c(OC)c3)n2)c(C)c1C 1872792983 BMCNMQZGJKNGGM-VIZOYTHASA-N 471.376 5.976 50 10 JKGE CC(C)(CCl)N(Cc1ccccc1)C(=O)c1ccc(Cl)cc1I 1901582305 NELATRFHPKHYBM-UHFFFAOYSA-N 462.158 5.604 50 10 JKGE COc1ccc([C@H](Br)c2c(C)nsc2Br)c(OC)c1Br 1912982828 RJMUSVKEXUZOJB-JTQLQIEISA-N 486.023 5.478 50 10 JKGE CC(C)[C@H](CBr)N(Cc1ccccc1)C(=O)c1c(F)cc(Br)cc1F 1915322819 OAXVKBULGILPCB-KRWDZBQOSA-N 475.171 5.789 50 10 JKGE Cc1cc([C@@H](Br)c2sc(Br)cc2Br)c(F)cc1F 1922946509 RRZXFJIYSFJIQH-LLVKDONJSA-N 460.963 6.344 50 10 JKGE Clc1c(Br)sc(Br)c1[C@H](Br)[C@H]1CCCC12CC2 1923061689 MHYOHXRVIKEKDD-HTRCEHHLSA-N 463.460 6.943 50 10 JKGE C[C@@H](c1ccncc1Br)[C@H](Cl)c1cc(Cl)ccc1I 1924042812 DTATWEUXUGLJJW-RTHLEPHNSA-N 470.963 6.186 50 10 JKGE COC1CC([C@@H](Br)c2c(Br)sc(Br)c2Br)C1 1924612780 NQWROVRUUMZFMU-KGMSYRRLSA-N 497.872 5.897 50 10 JKGE Clc1sc(Cl)c([C@H](Cl)c2cc(Br)c(Br)s2)c1Cl 1925568903 NQDBSHFDOOXZQR-RXMQYKEDSA-N 475.869 7.623 50 10 JKGE Clc1cc(Br)cc([C@@H](Cl)c2c(Cl)sc(Br)c2Cl)c1 1925587169 HJMJYZQNYNPGBL-MRVPVSSYSA-N 469.840 7.562 50 10 JKGE Clc1sc(Br)c(Cl)c1[C@H](Br)c1ccc2ccccc2c1 1925599083 LXOFLBBTOPJYGI-GFCCVEGCSA-N 451.010 7.455 50 10 JKGE CN(c1c(CBr)ccc(Br)c1Cl)[C@H]1CCCN(Cc2ccccc2)C1 2036840624 SSZTZHLNPSTHDK-KRWDZBQOSA-N 486.679 6.098 50 10 JKGE Cc1c(Br)sc([C@H](Br)C23CC(C)(C2)O[C@@H]3C)c1Br 2038995709 DKOVJGZYMMMKMM-ZZTBCUJWSA-N 459.041 5.975 50 10 JKGE CC1(C)CCC[C@@H]([C@H](Br)c2sc(Br)cc2Br)CC1 2039353225 DAUDBJQIKLLJCQ-SKDRFNHKSA-N 459.085 7.316 50 10 JKGE Clc1c(Br)sc(Br)c1[C@H](Br)C1CC(CC2CC2)C1 2050218495 ZOLFUMYJXDDKOQ-SFVIPPHHSA-N 477.487 7.189 50 10 JKGE FC(F)(F)c1c(I)c(CBr)nn1Cc1cccc(C2CC2)c1 2079245280 AGFBBZORTQPZDH-UHFFFAOYSA-N 485.085 5.327 50 10 JKGE Clc1ccc([C@H](Cl)c2ccc(Br)cc2Br)cc1Br 2083330717 RUQJMUBNFYVCOZ-ZDUSSCGKSA-N 473.817 6.956 50 10 JKGE COc1c(C)cc(Br)cc1[C@H](Br)c1cc(Br)sn1 2085643133 SSIQKFYGSYJQDI-NSHDSACASA-N 455.997 5.469 50 10 JKGE N#CC(=C(Cl)c1ccc(Br)cc1I)c1ccsc1 2086152358 AEICDTLCLCMHNK-UHFFFAOYSA-N 450.526 5.746 50 10 JKGE Brc1scc([C@@H](Br)c2cccc3ccccc23)c1Br 2093947630 AOJQVIIYVYNEAI-ZDUSSCGKSA-N 461.016 6.911 50 10 JKGE CC1(C)CN(Cc2ccccc2)CCN(c2c(CCl)ccc(Br)c2Cl)C1 2098111022 PLAUVORZDVCORQ-UHFFFAOYSA-N 456.255 6.190 50 10 JKGE Cc1cc(Br)c([C@H](Br)CC23CCC(CC2)C3)cc1Br 2100866422 FERJNGJUXIBWLR-YWCUFVOSSA-N 451.040 6.926 50 10 JKGE Fc1cc(Br)cc(N2C[C@H]3C[C@@H](CN(Cc4ccccc4)C3)C2)c1CBr 2114274112 JFTPWSPBRKLNAD-IRXDYDNUSA-N 482.235 5.441 50 10 JKGE CCCOc1ccc([C@@H](Br)c2cc(Br)cs2)cc1Br 2115922321 BYFZAPQXMGPMIA-CQSZACIVSA-N 469.036 6.546 50 10 JKGE COc1c(C)cc(Br)c(C)c1[C@H](Br)c1cc(Br)cs1 2115924922 NTRDCPZTFXHZGK-CYBMUJFWSA-N 469.036 6.383 50 10 JKGE Cc1cc(Br)c([C@H](Br)[C@@]23CC[C@@](C)(C2)OC3)cc1Br 2121883851 QPVPABUVOJFUSJ-KKUMJFAQSA-N 453.012 5.915 50 10 JKGE Cc1cc(Br)c(C)c([C@H](Br)[C@@H]2CCCC2(F)F)c1Br 2136379551 LNEWGFPTLRQQJN-TVQRCGJNSA-N 460.982 6.700 50 10 JKGE CCCC1([C@H](Br)c2c(C)c(Br)cc(C)c2Br)CCC1 2136380921 XGTWPYSYPJDFJU-OAHLLOKOSA-N 453.056 7.235 50 10 JKGE COc1cc(Br)c(C)cc1[C@H](Br)c1cc(F)cc(Br)c1 2145961216 IGKYJXRWZURFBV-OAHLLOKOSA-N 466.970 6.152 50 10 JKGE O=C(NC[C@H]1CCC[C@H](CBr)C1)c1cccc(Br)c1Br 2148772517 YSXPKUIYZYHKMJ-QWRGUYRKSA-N 468.027 5.143 50 10 JKGE C[C@H]1[C@@H](n2c(CCCl)nc3cc(Br)c(Cl)cc32)CCN1Cc1ccccc1 2159873405 GTUXPNXLTLQBFM-LIRRHRJNSA-N 467.238 6.069 50 10 JKGE CCc1nc(-c2ncc(Br)cc2Br)nc(CC)c1CBr 2187361024 NXWBGYGYLXJCSY-UHFFFAOYSA-N 463.999 5.083 50 10 JKGE CCn1cc([C@@H](Br)c2cc(Br)c(OC)cc2C)nc1Br 2198737948 UVVYZAKXQZMKOR-ZDUSSCGKSA-N 466.999 5.229 50 10 JKGE Cc1cc(Br)c(C)c([C@@H](Br)Cc2cccc(F)c2)c1Br 2201074203 QVDIEABINCAJFO-AWEZNQCLSA-N 464.998 6.646 50 10 JKGE Cc1sc([C@H](Cl)c2c(Cl)sc(Br)c2Cl)cc1Br 2213745892 CAIWJGBRRIFCJE-ZETCQYMHSA-N 455.451 7.278 50 10 JKGE COc1sc([C@@H](Br)c2scc(Br)c2C)cc1Br 2213772215 FRWMMKOJPHKXCJ-SECBINFHSA-N 461.038 6.136 50 10 JKGE Cc1sc([C@@H](Br)c2scc(Br)c2C)c(C)c1Br 2213774240 MQQGTSKGUDVMOE-JTQLQIEISA-N 459.066 6.744 50 10 JKGE CC(C)N(CCCCCI)C[C@@H]1CCCCN1C(=O)OC(C)(C)C 2214704252 BAHIWEQGICMJOM-KRWDZBQOSA-N 452.421 5.092 50 10 JKGE Fc1cc(Br)c(Br)cc1[C@@H](Br)c1cc(Cl)c(Cl)s1 2218596766 HOEKMIYGCPJJID-SNVBAGLBSA-N 497.836 7.203 50 10 JKGE Cc1nc([C@@H](Br)Cc2ccc(Br)cc2Cl)c(Br)s1 2221695055 KBHPUTSWSVZAPH-VIFPVBQESA-N 474.443 6.309 50 10 JKGE Cc1cc([C@@H](Br)c2c(Br)cc(Cl)c(Cl)c2Cl)sc1Cl 2224305190 QKBRSXOWGSTBQB-SECBINFHSA-N 483.867 7.917 50 10 JKGE Cc1cc(Br)c([C@H](Br)[C@@H]2CCC[C@@H](C)C2)c(C)c1Br 2227352392 CBJJTJYJTJJXIU-VYROHLMNSA-N 453.056 7.091 50 10 JKGE Cc1cc(Br)c([C@H](Br)[C@@H]2C[C@H]3CC[C@H]2O3)c(C)c1Br 2227353033 FAGKEUUPFMLRGS-NDLNZWKESA-N 453.012 5.832 50 10 JKGE Brc1c([C@H](Br)c2ccc(OCc3ccccc3)cc2)ccc2c1CCO2 2229748075 VCKLQHMZXNLEBD-OAQYLSRUSA-N 474.192 6.447 50 10 JKGE C[C@@H](c1ccccc1)[C@@H](Br)c1c(Br)cc(Cl)c(Cl)c1Cl 2232513671 RQBOIRWDHXUQCW-ISVAXAHUSA-N 457.420 7.649 50 10 JKGE Cc1cc(Br)c([C@H](Br)c2ccc(Cl)c(Cl)c2)c(C)c1Cl 2232530768 VCSYQFAHAXOFTG-CQSZACIVSA-N 457.420 7.510 50 10 JKGE Fc1cc(Br)c(Br)cc1[C@H](Br)C1(c2ccccc2)CC1 2233974728 GZNIILWJMQSGQL-HNNXBMFYSA-N 462.982 6.519 50 10 JKGE CCN(C[C@](C)(CBr)OCc1ccccc1C(F)(F)F)C(=O)OC(C)(C)C 2236065476 VQJQIMFIYZPZFS-SFHVURJKSA-N 454.327 5.633 50 10 JKGE CCc1cc([C@@H](Cl)c2cc(Br)ccc2Br)sc1Br 2256058098 NGRUTBFIQVFAIY-LBPRGKRZSA-N 473.455 6.926 50 10 JKGE Clc1c(Br)csc1[C@H](Br)c1ccc2c(c1Br)CCO2 2264608205 WPBIYENBJYEPCB-LLVKDONJSA-N 487.438 6.346 50 10 JKGE Fc1ccc([C@@H](Br)c2cccc(Cl)c2Br)c(F)c1Br 2267974128 SUXRUTBROHGRFB-JTQLQIEISA-N 475.352 6.628 50 10 JKGE Cc1cc(Br)c([C@@H](Br)[C@H]2COC3(CCC3)C2)c(C)c1Br 2284848890 XZCBXEVTLMMBDX-ABAIWWIYSA-N 467.039 6.224 50 10 JKGE Fc1cc(Cl)c([C@@H](Cl)Cc2ccc(Br)cc2Cl)cc1Br 2285839827 JGCULKURRIRMKC-LBPRGKRZSA-N 461.383 7.180 50 10 JKGE Cc1ccc(F)cc1[C@H](Br)c1c(F)cc(Br)c(F)c1Br 2288374592 VFOODORKMJYODI-LBPRGKRZSA-N 472.924 6.422 50 10 JKGE Fc1ccccc1C[C@H](Br)c1c(F)cc(Br)c(F)c1Br 2288493360 RKRQKYZYVRDBBN-QMMMGPOBSA-N 472.924 6.308 50 10 JKGE FC(F)(F)[C@@H]1CCO[C@@H]1[C@@H](Br)c1cc2sc(Br)cc2s1 2295414510 PGWMSAOYTXHCCX-WIHYOSRFSA-N 450.139 6.129 50 10 JKGE CCOC(=O)c1c(NC=C(C#N)c2nc(-c3cccc(Br)c3)cs2)sc(C)c1C 2296789999 IFAOQDWUONZPNW-UHFFFAOYSA-N 488.432 6.404 50 10 JKGE CCOC(=O)c1ccc(-c2ccc(C=C(C#N)C(=O)Nc3ccc(Cl)c([N+](=O)[O-])c3)o2)cc1 2297306947 GNJTVHIKXDSXRV-UHFFFAOYSA-N 465.849 5.231 50 10 JKGE Cc1ccc(NC(=O)C(C#N)=Cc2c(Oc3ccc(Cl)c(C)c3)nc3ccccn3c2=O)cc1 2297318648 SPQBLORDMYBGAR-UHFFFAOYSA-N 470.916 5.303 50 10 JKGE Cc1cccc(-n2c(C)cc(C=C(C#N)C(=O)N3CCN(c4cc(Cl)ccc4C)CC3)c2C)c1 2297369468 VUQXJWMCXARHNR-UHFFFAOYSA-N 473.020 5.620 50 10 JKGE CCOc1cc(C=C(C#N)c2nc3ccccc3s2)cc(Cl)c1OCc1cccc2ccccc12 2297559866 PUTLQTDWEAQKKF-UHFFFAOYSA-N 497.019 8.145 50 10 JKGE CCc1ccc([C@H](Br)c2ccc(OCc3ccccc3)cc2Br)o1 2299490291 XNLCQJNVXDGCIT-HXUWFJFHSA-N 450.170 6.668 50 10 JKGE Brc1ccc(OCc2ccccc2)c([C@@H](Br)C23CC(CCO2)C3)c1 2299495777 MHMLBIPTNCAKLR-KHPNHKCMSA-N 452.186 6.033 50 10 JKGE Cn1ncc([C@@H](Cl)c2ccc(OCc3ccccc3)cc2Br)c1Br 2299502933 ASONSOSCWMGCEW-KRWDZBQOSA-N 470.592 5.852 50 10 JKGE Brc1ccc(OCc2ccccc2)c([C@@H](Br)C[C@@H]2CC[C@@H]3C[C@H]23)c1 2299531486 WNGKYMSEXDDVNQ-JMVFIXPQSA-N 450.214 6.900 50 10 JKGE O=C(N[C@H](CCBr)COCc1ccccc1)c1cccc(Br)c1Cl 2303545620 UUQCFJXEPOZACN-CQSZACIVSA-N 475.608 5.203 50 10 JKGE C#CCOc1c(Cl)cc(C=C(C#N)C(=O)Nc2cccc(Cl)c2Cl)cc1Br 2313570994 KXLGKUHLKAMQGT-UHFFFAOYSA-N 484.564 5.967 50 10 JKGE N#CC(=Cc1ccc(OCc2ccc(Cl)c(Cl)c2)cc1)C(=O)NCc1ccc2c(c1)OCO2 2313681176 QGSACCHHYSRZLY-UHFFFAOYSA-N 481.335 5.524 50 10 JKGE Fc1ccc([C@H](Br)c2ccc(OCc3ccccc3)cc2Br)c(F)c1 2314450506 ZYVFKPWWWVTPJE-HXUWFJFHSA-N 468.135 6.791 50 10 JKGE C[C@H](C[C@@H](Br)c1cc(Br)ccc1OCc1ccccc1)CC(C)(C)C 2314492337 WJWCZAWZKJMHJW-OXQOHEQNSA-N 468.273 7.927 50 10 JKGE Brc1cc(OCc2ccccc2)ccc1[C@H](Br)[C@@H]1CC2CCC1CC2 2314500446 NLNOMAASJOOZCO-CPRYJMGUSA-N 464.241 7.290 50 10 JKGE COc1ccc(-c2nn(-c3ccccc3)cc2C=C2C(=O)N(C3CCCC3)C(=O)C(C#N)=C2C)cc1 2314617231 UDJJTTJIAILTAJ-UHFFFAOYSA-N 478.552 5.083 50 10 JKGE C=CCOc1ccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)C=Cc4ccccc4)ccc32)cc1OC 2314634432 RWBXAKZNMYSWQY-NDEPHWFRSA-N 480.520 5.097 50 10 JKGE CCCOc1ccccc1[C@@H]1C(C#N)=C(N)Oc2cc(OC(=O)C=Cc3ccc(OC)cc3)ccc21 2314634480 WYKRRWPWPJLQFG-NDEPHWFRSA-N 482.536 5.321 50 10 JKGE CCCCCOc1cccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)C=Cc4ccccc4)ccc32)c1 2314634816 PFCIOGACAMVPQN-LJAQVGFWSA-N 480.564 6.093 50 10 JKGE CCc1nn(C)c([C@@H](Cl)c2sc(Cl)cc2I)c1Br 2316767984 VEZAUUYVXMSWGC-SECBINFHSA-N 479.996 5.393 50 10 JKGE CC12CC([C@H](Br)c3sc(Cl)cc3I)(C1)C(C)(C)O2 2316771101 JTUNVQHZBWSGNI-QFWMXSHPSA-N 461.590 5.790 50 10 JKGE Clc1cc(Cl)cc(CC[C@@H](Br)c2cscc2OCc2ccccc2)c1 2318653376 AJQXFUMIFVQJKX-LJQANCHMSA-N 456.232 7.703 50 10 JKGE Cc1ccc(COc2ccccc2C=NNC(=O)CCCCCNC(=O)OC(C)(C)C)cc1 2328835197 DDSVFYAVJHALNP-UHFFFAOYSA-N 453.583 5.109 50 10 JKGE N#CC(=Cc1ccc(N2N=C(c3ccccc3)C[C@H]2c2ccccc2)cc1)c1ccccc1[N+](=O)[O-] 2331066012 DUVNGEXYVLSMJI-PMERELPUSA-N 470.532 7.015 50 10 JKGE COc1cccc(-c2csc(C(C#N)=C(O)c3ccc4c(c3)C(=O)N(Cc3ccco3)C4=O)n2)c1 2331249092 NIVBBJANXZXMGU-UHFFFAOYSA-N 483.505 5.158 50 10 JKGE CC[C@H](C)[C@@H](C(O)=C(C#N)c1nc(-c2ccc(C)cc2C)cs1)N1C(=O)c2ccccc2C1=O 2331311001 CQWMIBFMSWFMDN-HJPURHCSSA-N 471.582 5.931 50 10 JKGE COc1ccc(OC)c(-c2csc(C(C#N)=C(O)CNC(=O)c3ccc(Cl)cc3Cl)n2)c1 2331325048 CEKWYNFTOZYZOW-UHFFFAOYSA-N 490.368 5.357 50 10 JKGE CCCCc1ccc(N2C[C@H](C(O)=C(C#N)c3nc(-c4ccc(C(C)C)cc4)cs3)CC2=O)cc1 2331340455 FHNYASJLVDIKDD-HSZRJFAPSA-N 485.653 7.122 50 10 JKGE COc1cc(C(O)=C(C#N)c2nc(-c3cc(C(C)(C)C)ccc3C)cs2)c([N+](=O)[O-])cc1OC 2331397019 ZRVKOJCHZFPSOA-UHFFFAOYSA-N 479.558 6.291 50 10 JKGE Cc1cc(Br)c(C)c([C@@H](Br)[C@@H]2C[C@H]2C(F)(F)F)c1Br 2332925954 VAXMWSRQAWEOOR-RWYTXXIDSA-N 464.945 6.463 50 10 JKGE Fc1c(Br)cc(Cl)c([C@@H](Br)[C@H]2C3C[C@@H]4C2[C@@H]4C3)c1Br 2337085878 FFBCCWCTJAHZCO-VXOCLOKXSA-N 473.405 6.342 50 10 JKGE CCCN[C@H](c1c(C)cc(Br)c(F)c1Br)[C@@H]1C[C@H]1Br 2339651758 SERZABNVSVEKQK-NUPCCRGMSA-N 458.007 5.483 50 10 JKGE COc1c(Br)cc(C)c([C@@H](Br)C2(C)CC(C)C2)c1Br 2339655984 JKJCOSVGJJMIGZ-OOCCNLOMSA-N 455.028 6.401 50 10 JKGE COc1c(Br)cc(C)c([C@H](Br)[C@H]2C[C@](C)(F)C2)c1Br 2339660117 ZQEGGXCLUMKXMI-XPLICSAQSA-N 458.991 6.103 50 10 JKGE CC1(C)CC[C@H](COc2c(Br)cc(CBr)cc2Br)C1 2341953597 GAZOZHYXUFVFPI-JTQLQIEISA-N 455.028 6.312 50 10 JKGE CC1CCC([C@@H](CBr)Nc2ncc(Br)cc2Br)CC1 2351588635 KGEIRWRFHZYRIW-SRHKJQAYSA-N 455.032 5.608 50 10 JKGE CC[C@H](Br)[C@H]1CCCCN1Cc1cc(I)ccc1Cl 2352413122 CZGMJUASBFNGFX-DZGCQCFKSA-N 456.593 5.473 50 10 JKGE Fc1c(Br)cc(Cl)c([C@@H](Br)[C@H]2CCCC23CCC3)c1Br 2362235741 NGSUIQWQBYINLP-PELKAZGASA-N 489.448 7.411 50 10 JKGE Fc1c(Br)cc(Cl)c([C@@H](Br)[C@@H]2CC[C@H]3C[C@@H]2CO3)c1Br 2362254075 KSKGDQOLWMPRES-ZWADGADFSA-N 491.420 6.255 50 10 JKGE Clc1ccc(CN2CCC3(CCC3)[C@@H](CBr)C2)cc1I 2362379110 KTVFAHOHDCHTSJ-ZDUSSCGKSA-N 468.604 5.332 50 10 JKGE Cc1nc(Br)c([C@H](Br)c2scc(C(F)(F)F)c2Br)n1C 2362443425 ZSEQWQKMIVRILM-ZETCQYMHSA-N 496.972 5.818 50 10 JKGE CC(C)[C@@H](NC(=O)OC(C)(C)C)c1csc(NC(=O)[C@@H](Br)C2CCCC2)n1 2362644440 DXKDKSPWTFZYQB-LSDHHAIUSA-N 460.438 5.257 50 10 JKGE Fc1c(F)c(F)c([C@@H](Cl)c2sc(Cl)cc2I)c(F)c1F 2364125364 SYZNZNQZCLEYDU-RXMQYKEDSA-N 459.004 6.030 50 10 JKGE COc1c(Br)cc(C)c([C@@H](Br)[C@@H]2COCC2(C)C)c1Br 2365195367 AYXFFXIXBROGHI-CABZTGNLSA-N 471.027 5.637 50 10 JKGE Cc1cc(Br)c(F)c(Br)c1[C@H](Br)[C@@H]1OCCOC1(C)C 2365225728 MPLBYTKYUHSARQ-AAEUAGOBSA-N 474.990 5.289 50 10 JKGE FC(F)(F)CC1CCC([C@H](Cl)c2sc(Br)cc2Br)CC1 2381953722 HYRXJWWRTJTPNY-AYVLWNQUSA-N 454.577 7.312 50 10 JKGE CC(C)C[C@@H](CBr)COc1c(Br)cc([N+](=O)[O-])cc1Br 2382204359 MUUBIAHEKYQXMX-VIFPVBQESA-N 473.987 5.556 50 10 JKGE CC(=O)Nc1ccc(/C=N/NC(=O)c2ccccc2Nc2ccc(SC(F)F)cc2)cc1 3208596 XUPADBORWNZTQP-VULFUBBASA-N 454.502 5.467 50 10 JKGE CSc1sc(C)cc1[C@@H]1C(C#N)=C(N)N(c2ccccc2)C2=C1C(=O)C[C@@H](c1ccccc1)C2 9981208 MKUBJQFGBRRBRS-UQBPGWFLSA-N 483.662 6.477 50 10 JKGE CC(C)(C)c1ccc(OCC(=O)N/N=C/c2ccccc2OCc2ccccc2)c(Br)c1 12403434 HFNCYCURUUWVPD-LQKURTRISA-N 495.417 5.855 50 10 JKGE O=C(COc1ccc(-c2ccccc2)cc1)NNC(=O)N1c2ccccc2Sc2ccccc21 13988922 SXRSRXKXRFQLFN-UHFFFAOYSA-N 467.550 5.776 50 10 JKGE CC[C@@H](Oc1ccccc1C)C(=O)NNC(=O)c1ccc(NC(=O)c2ccc(C(C)(C)C)cc2)cc1 13995403 MDSIUDCMBSDESA-XMMPIXPASA-N 487.600 5.163 50 10 JKGE CC(C)COc1ccc(Br)cc1C(=O)NNC(=O)c1ccc(-c2ccccc2)cc1 14666902 TYCJRWYLWFPICW-UHFFFAOYSA-N 467.363 5.226 50 10 JKGE N#C/C(=C\c1ccc(-c2cccc(Cl)c2)o1)c1nc(-c2ccc(Br)cc2)cs1 28356921 OVENSVJYZCNEKX-LFIBNONCSA-N 467.775 7.550 50 10 JKGE N#C/C(=C/c1cc(Cl)ccc1OCc1ccc(Br)cc1)S(=O)(=O)c1ccccc1 33470864 WYEUCAFNPNQREJ-BKUYFWCQSA-N 488.790 6.020 50 10 JKGE CCOc1ccc(-c2nn(-c3ccccc3)cc2/C=C(/C#N)S(=O)(=O)c2ccccc2)cc1Cl 35447306 QURXIBMXQIQNSK-HAHDFKILSA-N 489.984 5.930 50 10 JKGE CC(C)(C)c1ccc(C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@H]3c2ccc(Cl)cc2Cl)cc1 38655127 VJMMTVVCSMVFLX-DEOSSOPVSA-N 493.390 6.728 50 10 JKGE N#CC1=C(N)Oc2cc(OC(=O)COc3ccc(F)cc3)ccc2[C@H]1c1ccc(Cl)c(Cl)c1 38655721 DGFFNCRKZQMLJD-HSZRJFAPSA-N 485.298 5.335 50 10 JKGE C[C@@H](Oc1ccc(F)cc1)C(=O)Oc1ccc2c(c1)OC(N)=C(C#N)[C@H]2c1c(F)cccc1Cl 38680452 HNRIAYALCAKOCV-DMZKTXOQSA-N 482.870 5.209 50 10 JKGE C=CCOc1cccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)COc4cc(C)cc(C)c4)ccc32)c1 38684584 RKZFHVZMDQVFTI-MUUNZHRXSA-N 482.536 5.071 50 10 JKGE CC(C)CCOc1cccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4ccccc4)ccc32)c1 38684619 IIMAILUUUABAMJ-AREMUKBSSA-N 454.526 5.549 50 10 JKGE CC(C)CCOc1cccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4ccc(F)cc4)ccc32)c1 38684630 URXGTAUPRPKLHK-SANMLTNESA-N 472.516 5.688 50 10 JKGE Cc1ccc2oc(C(=O)Oc3ccc4c(c3)OC(N)=C(C#N)[C@@H]4c3ccc(F)cc3)c(C)c2c1 38688108 XDFCRKZAOYGKMF-XMMPIXPASA-N 454.457 5.626 50 10 JKGE COC(=O)c1ccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4oc5cc(C)ccc5c4C)ccc32)cc1 38700888 VJXQOJRGUXEKQA-RUZDIDTESA-N 494.503 5.274 50 10 JKGE Cc1c(C(=O)Nc2cc(C(F)(F)F)ccc2Cl)oc2c1/C(=N/NC(=O)c1cccs1)CCC2 40823663 XEFROXNOWRNSOQ-CCVNUDIWSA-N 495.910 6.044 50 10 JKGE CCOC(=O)c1c(-c2ccc(C)cc2C)csc1NC(=O)/C(C#N)=C/c1ccc(C(C)C)cc1 41013187 YIZOMTCXMFGZFH-HYARGMPZSA-N 472.610 6.878 50 10 JKGE C[C@H](COc1ccccc1)Cn1cc(/C=C(/C#N)C(=O)Nc2nc3ccccc3s2)c2ccccc21 102443664 QMEOXNBTCDSPFJ-RLKVQFJASA-N 492.604 6.512 50 10 JKGE COc1c(Br)cc(Cl)cc1[C@@H](Cl)c1ccc(Br)cc1Cl 109794772 UFHPJDDPOVJKHO-ZDUSSCGKSA-N 459.392 6.855 50 10 JKGE C/C(=C/C[P+](c1ccccc1)(c1ccccc1)c1ccccc1)c1ccc2c(c1)C(C)(C)CO2 110356174 ZZXNKYRWDBVDEY-DAFNUICNSA-N 463.581 6.754 50 10 JKGE N#C/C(=C(\O)c1ccc(-c2cccc(C(F)(F)F)c2)o1)c1nc(-c2ccc3ccccc3c2)cs1 110516123 UDTZKAMZWSXMIP-NJNXFGOHSA-N 488.490 8.192 50 10 JKGE Cl[C@@H](c1csc(I)c1)c1cc2c(cc1Br)OCCCO2 124396620 NBTGJLULOIHKNX-AWEZNQCLSA-N 485.568 5.605 50 10 JKGE CS(=O)(=O)c1ccc([C@@H](Br)c2cc(Br)c(Br)s2)cc1 128210890 UACVIOQMGRDWOP-LLVKDONJSA-N 489.048 5.161 50 10 JKGE CCCOc1ccc([C@H](Cl)c2cc(Br)ccc2Br)cc1Br 161124398 NOVAXZAVOIOJLZ-INIZCTEOSA-N 497.452 7.091 50 10 JKGE Clc1cccc([C@@H](CI)OCc2ccccc2Br)c1 162550319 UDODOWWZQFOEEL-OAHLLOKOSA-N 451.529 5.795 50 10 JKGE CCCOc1ccccc1[C@@H]1C(C#N)=C(N)Oc2cc(OC(=O)/C=C\c3ccccc3)ccc21 205654643 MZDZARALMLSJBM-AOIOFWHBSA-N 452.510 5.312 50 10 JKGE COc1ccc(-c2nn(-c3ccccc3)cc2/C=C(/C#N)S(=O)(=O)c2ccc(C)c(C)c2)cc1 210035457 ZMHQPXMJEMCUHF-QQXSKIMKSA-N 469.566 5.503 50 10 JKGE C[C@@]12CC3CC([C@@H](Cl)c4cc(Br)c(Br)s4)(C1)C[C@](C)(C3)C2 226732623 NUZMLQQZRFFLHM-ATBPWKFESA-N 452.683 7.550 50 10 JKGE N#Cc1cccc(COc2c(Br)cc(CBr)cc2Br)c1 232484769 GGCICWXRVNIYCO-UHFFFAOYSA-N 459.963 5.557 50 10 JKGE Cc1cc(Br)c([C@H](Cl)c2cccc(Br)c2F)cc1Br 235824375 RYUSVQPURJEWLD-CYBMUJFWSA-N 471.389 6.750 50 10 JKGE CCCCCCCCOc1ccc(C=NNC(=O)COc2ccc(C(C)(C)CC(C)(C)C)cc2)cc1 252591313 AZELCRFPHOPZMG-UHFFFAOYSA-N 494.720 7.669 50 10 JKGE Cc1ccccc1C(=O)NN=Cc1ccc(OC(=O)c2ccccc2)cc1OC(=O)c1ccccc1 254764989 UCUQNCYFZZLLOC-UHFFFAOYSA-N 478.504 5.197 50 10 JKGE Cc1ccc(C[C@H](CBr)Cc2cccc(Br)c2)cc1Br 313699297 SIZWCKOYSCSGHT-OAHLLOKOSA-N 461.035 6.316 50 10 JKGE C[C@@H]1CCN(c2ccc(CBr)cc2Br)CCN1Cc1ccccc1 382656224 JROUKMARBWKWJS-MRXNPFEDSA-N 452.234 5.445 50 10 JKGE CO[C@@H](CC(CBr)(CBr)c1ccccc1Br)C(C)C 388898550 KQQKOAPXHNIOES-AWEZNQCLSA-N 457.044 5.538 50 10 JKGE CC(C)(C)[Si](C)(C)OCc1cccc([C@H]2CCN(S(=O)(=O)c3ccccc3)CCO2)c1 616592466 DUKFFGMLLQJDJO-HSZRJFAPSA-N 461.700 5.361 50 10 JKGE CC(C)(C)[Si](C)(C)OCCc1ccc([C@@H]2CCCCCN2S(=O)(=O)c2ccccc2)cc1 616634204 XNFPJUOLSORBCV-VWLOTQADSA-N 473.755 6.557 50 10 JKGE CC(C)(C)OC(=O)NCCN1CCCO[C@H](c2cccc(CO[Si](C)(C)C(C)(C)C)c2)C1 616678011 CALNQDNIKJFTDZ-QFIPXVFZSA-N 464.723 5.497 50 10 JKGE FC1(F)CCC[C@@H]1C[C@H](Br)c1cc(I)cc2c1OCC2 713975477 SHAIKOQSLYDVSN-MFKMUULPSA-N 457.096 5.488 50 10 JKGE CCN(C[C@@](C)(CI)O[C@@H](C)C1CCCCC1)C(=O)OC(C)(C)C 719739798 XYYVJHUSVYMLPZ-HNAYVOBHSA-N 453.405 5.423 50 10 JKGE COc1ccc([C@@H](Br)c2cccc(F)c2I)cc1Cl 721683158 FUEAZRYBALGCEO-CYBMUJFWSA-N 455.492 5.577 50 10 JKGE Cc1ccc(-n2c(C)c(Br)c(C=NNC(=O)CSc3ccccc3)c2C)cc1C 725398900 YYVNAZCIUANMRW-UHFFFAOYSA-N 470.436 5.716 50 10 JKGE N#Cc1ccccc1COc1ccc(Br)cc1C=NNC(=O)c1cc2ccccc2o1 1084001173 WUFJIKKTVTXILJ-UHFFFAOYSA-N 474.314 5.410 50 10 JKGE CCOc1ccc([C@@H](O)CCC(=O)NN=Cc2cc(C)n(-c3cccc(Cl)c3Cl)c2C)cc1 1084057773 PNDTYTNYJYTWHL-QHCPKHFHSA-N 488.415 5.764 50 10 JKGE CCCN(CCC)c1ccc(C(=O)NN=Cc2ccc(OS(=O)(=O)c3ccc(C)cc3)cc2)cc1 1084481959 VWPMGOFWXRJTPW-UHFFFAOYSA-N 493.629 5.153 50 10 JKGE N#CC1=C(N)Oc2c(c(-c3ccccc3)nn2-c2ccc(Cl)c(Cl)c2)[C@@H]1c1ccccc1 1865680493 MLZYHQKDEHGJEL-OAQYLSRUSA-N 459.336 6.064 50 10 JKGE CCc1nn(Cc2cccc(Cl)c2)c2c1[C@@H](c1cccc(Br)c1)C(C#N)=C(N)O2 1865684630 UJZBUJDBCDPUSL-IBGZPJMESA-N 469.770 5.128 50 10 JKGE CCc1nn(-c2ccc(Cl)c(Cl)c2)c2c1[C@H](c1cc(Cl)ccc1O)C(C#N)=C(N)O2 1865689276 OIZRVCYJQPDOLI-GOSISDBHSA-N 461.736 5.319 50 10 JKGE Cc1ccsc1[C@H]1C(C#N)=C(N)Oc2c1c(C(F)(F)F)nn2Cc1c(F)cccc1Cl 1865699490 VLOKGIYJBXPOSH-AWEZNQCLSA-N 468.863 5.331 50 10 JKGE N#CC1=C(N)Oc2c(c(C(F)(F)F)nn2-c2ccc(Cl)c(Cl)c2)[C@H]1c1ccc(C(=O)O)cc1 1865709164 PTXRHDVQYLCEAA-HNNXBMFYSA-N 495.244 5.114 50 10 JKGE CCn1nc(-c2ccc(OC)cc2)c2c1OC(N)=C(C#N)[C@H]2c1cccc(OCc2ccccc2)c1 1865712238 SSFUVLXMVNHMMQ-RUZDIDTESA-N 478.552 5.376 50 10 JKGE CCC[C@H](NC(=O)C[C@H](c1ccccc1)c1cccc(F)c1)C(=O)Nc1ccc(SC#N)cc1 1866776339 MNMXRCXHDGFKLJ-RPBOFIJWSA-N 475.589 5.844 50 10 JKGE CCCc1nc(Nc2ccc(SC#N)cc2)cc(N2CCC(c3nc(C)c(C)s3)CC2)n1 1868389204 RUPATBGPMKVLNV-UHFFFAOYSA-N 464.664 6.203 50 10 JKGE CCCCCCCCCOc1ccc(/C=C(\C#N)c2cc3c(cc2[N+](=O)[O-])OCCO3)cc1Cl 1872728401 ABGWTSFJEPOXSU-XSFVSMFZSA-N 484.980 7.213 50 10 JKGE COc1ccc(C/C(O)=C(\C#N)c2nc(-c3ccc(-c4ccccc4)cc3)cs2)c(OC)c1 1872743781 LPORWEDJRCJAMU-BZZOAKBMSA-N 454.551 6.530 50 10 JKGE COc1ccc(-c2csc(/C(C#N)=C(\O)c3ccc(N4C(=O)c5ccccc5C4=O)cc3)n2)cc1C 1872744909 OCGRPIZUORHXDJ-LVWGJNHUSA-N 493.544 5.878 50 10 JKGE COc1ccc(-c2csc(/C(C#N)=C(\O)c3ccc4c(c3)C(=O)N(C(C)C)C4=O)n2)cc1C 1872744915 OOSZWJQDYJWFBJ-QOCHGBHMSA-N 459.527 5.081 50 10 JKGE CCc1cccc(C)c1N1C[C@@H](/C(O)=C(\C#N)c2nc(-c3ccc(OC)c(C)c3)cs2)CC1=O 1872746724 VEAQDODJKCEOJQ-DFOVGDGWSA-N 473.598 5.844 50 10 JKGE COc1ccc(Cl)cc1-c1csc(/C(C#N)=C(\O)Cc2ccc(Cl)c(Cl)c2)n1 1872758536 FTGAUUINUQWSPA-JXAWBTAJSA-N 451.762 6.814 50 10 JKGE C[C@@H](Cl)c1nc2c(Br)cc(F)cc2n1C1CC(COCc2ccccc2)C1 1912669886 NSLIPWGPRRTRHF-BZOOQXSSSA-N 451.767 6.406 50 10 JKGE C[C@@H](CBr)N(Cc1ccccc1)S(=O)(=O)c1ccc(Cl)c(C(F)(F)F)c1 1914347794 HQOYXSJXHLVJGZ-LBPRGKRZSA-N 470.738 5.333 50 10 JKGE C[C@@H](c1cccs1)N(Cc1ccccc1)S(=O)(=O)c1ccc(CCl)cc1Br 1914890977 KISRZAQLXFIEKV-HNNXBMFYSA-N 484.868 6.202 50 10 JKGE COc1ccc(Br)c(CN(Cc2ccccc2)[C@H](CBr)C2CC2)c1 1915217994 VZHHRWXLNVWJOA-HXUWFJFHSA-N 453.218 5.633 50 10 JKGE CC[C@H](C)[C@H](c1ccccc1)[C@@H](Br)c1sc(Br)cc1Br 1922953912 ITRXMHZGUNNTIU-COLVAYQJSA-N 481.091 7.539 50 10 JKGE COc1cccc([C@H](Br)c2c(Br)sc(Br)c2Cl)c1C 1923038985 MCYNUGSDMBBPJN-JTQLQIEISA-N 489.454 6.728 50 10 JKGE C[C@H](c1ccncc1Br)[C@H](Br)c1ccccc1OCc1ccccc1 1924048037 RIFXSXJSJIXWNF-VFNWGFHPSA-N 461.197 6.663 50 10 JKGE CC(F)(F)C[C@@H](Br)c1c(Br)sc(Br)c1Br 1924577215 YTSXICYCJOTLIN-GSVOUGTGSA-N 491.815 6.517 50 10 JKGE CC1([C@H](Cl)c2c(Br)sc(Br)c2Br)CC(F)(F)C1 1924612970 PILGLICTCRGQOY-ZCFIWIBFSA-N 473.402 6.751 50 10 JKGE O=S1(=O)CCC[C@H]([C@@H](Br)c2c(Cl)sc(Br)c2Cl)C1 1925547915 XBGXTTPCZXMFIO-CAHLUQPWSA-N 457.036 5.078 50 10 JKGE CC(C)(C)c1ccc([C@@H](Br)c2c(Cl)sc(Br)c2Cl)cc1 1925600521 RRXQVNKAXFULEE-LLVKDONJSA-N 457.058 7.599 50 10 JKGE CCc1cc(Br)c([C@@H](Cl)c2cccc(C)c2I)s1 2029239353 NWBLLXSWKKSOQR-LBPRGKRZSA-N 455.586 6.314 50 10 JKGE CCn1cc(Br)c([C@H](Cl)c2sc(Br)c(C)c2Br)n1 2060857046 YQLIIRVMDAWMIU-QMMMGPOBSA-N 477.447 5.889 50 10 JKGE COc1cc(C)c([C@H](Cl)c2sccc2I)cc1Br 2077999502 PFSXJEPRZNIGIS-LBPRGKRZSA-N 457.558 5.760 50 10 JKGE Cc1sc(Br)c([C@H](Br)c2nn(C)c(Cl)c2Br)c1C 2082884505 LTLMNVUSHSODNQ-ZETCQYMHSA-N 477.447 5.761 50 10 JKGE COc1c(Br)cc(C)cc1[C@@H](Br)c1cscc1OCc1ccccc1 2083464210 JZDISMLHVQQEMQ-LJQANCHMSA-N 482.237 6.891 50 10 JKGE CCOc1ccc([C@H](Br)c2cc(Br)ccc2Br)s1 2086382659 WJOGJIUYCCYLPT-CYBMUJFWSA-N 455.009 6.156 50 10 JKGE Cc1cscc1CC(CBr)(CBr)c1ccc(Br)cc1 2088893216 JNOUMBHJWBSPJL-UHFFFAOYSA-N 467.064 6.089 50 10 JKGE Brc1cc([C@@H](Br)c2cccc(OCc3ccccc3)c2)cc2c1OCC2 2090470116 LEKUYQYVIBLDCF-NRFANRHFSA-N 474.192 6.447 50 10 JKGE Cn1nc([C@H](Br)c2cc(Cl)c(Cl)c(Cl)c2Cl)cc1Br 2094081106 YXGJKCPJBNECFN-MRVPVSSYSA-N 467.803 6.281 50 10 JKGE CC(C)(C)OC(=O)NC1CCS(=O)(=NCCCCCCCCCBr)CC1 2106788970 VEEWDRPJXJFCMU-UHFFFAOYSA-N 453.487 5.267 50 10 JKGE Fc1cc(Br)cc(CC[C@@H](Br)c2ccc(Br)cc2)c1 2113491525 PODHDUDOZSZLRN-OAHLLOKOSA-N 450.971 6.420 50 10 JKGE FC(F)(F)C1([C@@H](Br)c2cc(Br)sc2Br)CCCCC1 2116577359 LSLWMGLZGJUERR-VIFPVBQESA-N 485.001 7.222 50 10 JKGE Cc1cc(Br)c([C@H](Br)[C@H]2CCC[C@H]2C(C)C)cc1Br 2119979504 IQZPCGXYTIPGSQ-MQIPJXDCSA-N 453.056 7.028 50 10 JKGE CC1(C)CCCN(C(=O)c2csc(Br)c2Br)[C@@H]1CBr 2129314807 PBTSETASFYVPPQ-SECBINFHSA-N 474.056 5.299 50 10 JKGE FC1(F)CC2(C1)C[C@@]2(CBr)Cc1cccc(Br)c1Br 2132871761 IPAJYYUDFACASS-GFCCVEGCSA-N 458.966 5.955 50 10 JKGE Cc1cc(Br)c(C)c([C@H](Br)CC[C@H]2CCCO2)c1Br 2136379793 OCZLMEGXQHHHSS-VXGBXAGGSA-N 455.028 6.224 50 10 JKGE Cc1cc([C@@H](Cl)c2c(Br)cc(F)c(Cl)c2F)sc1Br 2136967574 VZKWTIBIXDOXIP-SNVBAGLBSA-N 450.957 6.841 50 10 JKGE Cc1c(Br)ccc([C@@H](Br)C2C[C@H]3CC[C@H](C2)C3)c1Br 2138867064 WKDRIGCUBWXTHI-MMPTUQATSA-N 451.040 6.782 50 10 JKGE Cc1ccc(F)cc1[C@H](Br)c1ccc(Br)c(C)c1Br 2138875151 CFRBZJRGTQGTLE-OAHLLOKOSA-N 450.971 6.452 50 10 JKGE COc1cc(CBr)cc(Br)c1OCc1csc(Br)c1 2139790482 OAUTYQZXTNUYHD-UHFFFAOYSA-N 471.008 5.756 50 10 JKGE C[C@@H](Br)C[C@@H]1CCCCN1C(=O)c1cccc(Br)c1Br 2148771806 VLIRVICPSCGBSC-MNOVXSKESA-N 468.027 5.380 50 10 JKGE O=C(c1cc(Br)sc1Br)N1CCC[C@]2(CBr)CCC[C@H]12 2165286358 OVKKLVMZXVAOHW-HZMBPMFUSA-N 486.067 5.443 50 10 JKGE C[C@H]([C@H]1CCN(Cc2ccccc2)C1)n1c(CCl)nc2cc(Cl)c(Br)cc21 2169015777 REZWXRUJVBEFMN-ZBFHGGJFSA-N 467.238 6.274 50 10 JKGE C[C@@](CI)(O[C@H]1CCCCC1(F)F)c1ccccc1Br 2197046861 OJTYXOJTYGMAMM-KBPBESRZSA-N 459.112 5.694 50 10 JKGE COc1c(Cl)cc(Br)cc1[C@H](Cl)c1ccc(Br)cc1Cl 2202999106 POXKZMCVSQWAPE-CYBMUJFWSA-N 459.392 6.855 50 10 JKGE COc1c(Cl)cc(Br)cc1[C@@H](Br)Cc1ccccc1Br 2203004735 WGZUYSKOEVFONU-ZDUSSCGKSA-N 483.425 6.552 50 10 JKGE Cc1sc([C@H](Br)c2cc(Cl)c(Br)s2)cc1Br 2210614379 PVHNQTVMGHJWMT-VIFPVBQESA-N 465.457 6.781 50 10 JKGE Cc1nsc(Br)c1[C@@H](Br)c1sc(Br)c(C)c1C 2213623174 YWCPYXPRJRAGSU-MRVPVSSYSA-N 460.054 6.139 50 10 JKGE CC1(C)CC[C@@H](c2sc(Br)c(Br)c2Br)C[C@@H]1Cl 2216398759 YEPYTLXYLIOWDT-RQJHMYQMSA-N 465.476 6.937 50 10 JKGE COc1cc(F)c([C@@H](Cl)c2ccc(C)c(I)c2)cc1Br 2232833861 FQFILGNIDQNADI-HNNXBMFYSA-N 469.519 5.838 50 10 JKGE C[C@@H](Cl)c1nc2c(F)cc(Br)cc2n1[C@@H]1CCCN(Cc2ccccc2)C1 2232916315 OZZPJJBGTZOTSI-RHSMWYFYSA-N 450.783 6.075 50 10 JKGE C[C@H]1C[C@@H](n2c(CCl)nc3c(F)cc(Br)cc32)CN(Cc2ccccc2)C1 2232931166 YQJDWOSRPSPYOK-WMLDXEAASA-N 450.783 5.760 50 10 JKGE CCc1cc([C@@H](Br)Cc2cccc(Br)c2)sc1Br 2256062222 ZZHIKSSRHIDCDE-LBPRGKRZSA-N 453.037 6.514 50 10 JKGE COc1ccc([C@@H](Br)c2cccc(Br)c2)cc1I 2257370471 SSVMEINWYFMDMP-AWEZNQCLSA-N 481.953 5.547 50 10 JKGE Cc1cc(Br)sc1[C@@H](Br)c1cc(Br)cc(C(C)C)c1 2265957175 ZDERHSXOOPGXQF-AWEZNQCLSA-N 467.064 7.189 50 10 JKGE COc1ccc([C@H](Cl)c2ccc(C)c(I)c2)c(Br)c1Cl 2283553349 KKFGPIVQEXDEPR-CQSZACIVSA-N 485.974 6.352 50 10 JKGE Fc1cc(Br)c(F)c(Br)c1[C@H](Br)CC1CC2(CCC2)C1 2288480593 LBKREOPSVSMGQB-SECBINFHSA-N 472.993 6.896 50 10 JKGE CCC(F)(F)C(C)(C)[C@H](Br)c1c(F)cc(Br)c(F)c1Br 2288496952 NJGANOSMOBEIKG-LLVKDONJSA-N 484.951 6.997 50 10 JKGE CC(C)(C)OC(=O)NC[C@@H]1CN(CCCCCCCBr)CC[C@H]1C(F)(F)F 2294698136 GLUFEDHODFYNGY-HZPDHXFCSA-N 459.391 5.357 50 10 JKGE N#CC(=Cc1ccc(OC(=O)c2ccccc2)cc1)C(=O)Nc1ccc(I)cc1 2295172631 NUTUFLWNQXHQJH-UHFFFAOYSA-N 494.288 5.056 50 10 JKGE C[C@@H]1CCC[C@H]([C@H](Br)c2ccc(OCc3ccccc3)cc2Br)C1 2299501807 RGISINNLNWVCGG-KUDFPVQQSA-N 452.230 7.290 50 10 JKGE Brc1ccc(OCc2ccccc2)c([C@H](Br)[C@@H]2CC[C@H]3C[C@@H]3C2)c1 2299528313 QNCRNSQIMYSDNW-BIZBXSGISA-N 450.214 6.900 50 10 JKGE C[C@@H]1OCCO[C@H]1[C@@H](Br)c1ccc(OCc2ccccc2)cc1Br 2299534286 BSILOERGKVBBCX-FASAQXTFSA-N 456.174 5.268 50 10 JKGE C[C@@H]1CC[C@H](Br)[C@@H](Cc2ccc(I)c(Br)c2)C1 2306199616 OGWKQZYGYZGPNU-JLLWLGSASA-N 472.002 5.796 50 10 JKGE CN(C)C(=O)C(C#N)=Cc1cc(Cl)c(OCc2ccc3ccccc3c2)c(Br)c1 2313567917 PPDNRSAVTGDAGS-UHFFFAOYSA-N 469.766 5.830 50 10 JKGE N#CC(=Cc1cc(Br)c(Br)o1)C(=O)Nc1cccc(Cl)c1Cl 2313571371 UQLXRSJZVWGSRP-UHFFFAOYSA-N 464.928 5.657 50 10 JKGE FC(F)[C@@H]1CCC[C@H]1[C@H](Br)c1ccc(OCc2ccccc2)cc1Br 2314445109 PUTRPZLOOLCWHD-MDZRGWNJSA-N 474.183 7.146 50 10 JKGE Fc1cccc([C@@H](Br)c2ccc(OCc3ccccc3)cc2Br)c1Cl 2314448141 FINYIQIPGCSPBT-IBGZPJMESA-N 484.590 7.305 50 10 JKGE FC(F)(F)C1CC([C@@H](Br)c2ccc(OCc3ccccc3)cc2Br)C1 2314461670 RAWZXCWRADGJCL-WTNGLUPJSA-N 478.146 7.053 50 10 JKGE CCCCOc1ccc(-c2nn(-c3ccccc3)cc2C=C2C(=O)N(CC)C(=O)C(C#N)=C2C)c(C)c1 2314617562 DJDLBIILWNCLEX-UHFFFAOYSA-N 494.595 5.639 50 10 JKGE Cc1ccc(C=CC(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@H]3c2c(Cl)cccc2Cl)cc1 2314634341 GAEFVMPIHGIVQJ-DEOSSOPVSA-N 477.347 6.139 50 10 JKGE C[C@H]1C[C@@H](Br)[C@H](C)CN1Cc1ccc(I)c(Br)c1 2325208138 UFLPHDPPNBNWSO-JFGNBEQYSA-N 487.017 5.048 50 10 JKGE CCN(CC)C[C@H](Br)CCc1ccc(I)c(Br)c1 2325208449 HLGNVLQNWYNZQO-GFCCVEGCSA-N 489.033 5.092 50 10 JKGE CC(C)(C)OC(=O)N1CCC[C@H]1C(=O)NN=Cc1ccc(OCc2ccc(Cl)c(Cl)c2)cc1 2328829522 YNJBKCJJIDGPBP-NRFANRHFSA-N 492.403 5.422 50 10 JKGE COc1ccc(C=C(C(O)=C(C#N)c2nc(-c3ccc(C)cc3C)cs2)c2ccccc2)cc1OC 2331310834 NIQUGTFHCYVSBF-UHFFFAOYSA-N 494.616 7.478 50 10 JKGE COc1ccc(OC)c(-c2csc(C(C#N)=C(O)COc3cc(Cl)ccc3Cl)n2)c1 2331326091 ZROIEGBOEFUGQP-UHFFFAOYSA-N 463.342 6.006 50 10 JKGE COc1ccc(CC(O)=C(C#N)c2nc(-c3cc(C)c(Cl)cc3OC)cs2)cc1OC 2331389360 XGGPFHCEGYSULP-UHFFFAOYSA-N 456.951 5.833 50 10 JKGE CCCCCOc1ccc(C=C(C#N)c2nc(-c3ccc(OCCC)cc3)cs2)cc1OC 2331445454 XQMLSLKEYMRSGP-UHFFFAOYSA-N 462.615 7.241 50 10 JKGE COc1ccc(OC)c(-c2csc(C(C#N)=Cc3ccc(OCc4ccccc4)c(OC)c3)n2)c1 2331450492 POYHTAXOGWIOFD-UHFFFAOYSA-N 484.577 6.479 50 10 JKGE CCCCCOc1ccc(C=C(C#N)c2nc(-c3cc(Cl)c(OC)cc3OC)cs2)cc1 2331471910 RCONZCBRNUFYSU-UHFFFAOYSA-N 469.006 7.114 50 10 JKGE CO[C@@H]1CC([C@H](Br)c2cc(Br)ccc2OCc2ccccc2)C[C@H]1OC 2336039535 XQVJYKITOPFCTE-NJYVYQBISA-N 484.228 5.904 50 10 JKGE CC[C@@H](c1ccccc1)[C@@H](Br)c1ccc(OCc2ccccc2)cc1Br 2336051794 VICPBEHKASXNOJ-NZQKXSOJSA-N 474.236 7.658 50 10 JKGE FC1(F)CC[C@@H](Cc2ccc(Cl)c(I)c2)[C@H](Br)CC1 2337273672 VSOZIVIXIJMOLG-WDEREUQCSA-N 463.531 6.076 50 10 JKGE CC[C@@](C)(C(F)F)[C@@H](Br)c1c(C)cc(Br)c(F)c1Br 2339658272 GNTYLECPUFTQOM-WCQYABFASA-N 466.961 6.777 50 10 JKGE Cc1cc(Br)c(F)c(Br)c1[C@@H](Br)C1CC(C(F)F)C1 2339683929 ISLOQYJEBHGMDZ-QIMWKCOFSA-N 464.945 6.386 50 10 JKGE COc1c(Cl)cc(CO[C@@H](CCl)[C@H](I)CCl)cc1Cl 2340057962 MEDZTCOHSOYMAR-MNOVXSKESA-N 457.950 5.168 50 10 JKGE C[C@@H](c1ccncc1F)[C@H](Br)c1cc(I)ccc1Br 2344691832 HFWLYOHBUAWICW-RTHLEPHNSA-N 498.959 5.828 50 10 JKGE O=S1(=O)C[C@@H]2CCC[C@@]2([C@H](Cl)c2cc(Br)ccc2OCc2ccccc2)C1 2361171768 MJRATYGWDCBPJB-ZLGUVYLKSA-N 469.828 5.523 50 10 JKGE CCCCCC1CCC([C@H](Br)c2sc(Cl)cc2I)CC1 2364127111 MIJWUZDSTCWBTH-QOZQQMKHSA-N 489.688 7.829 50 10 JKGE COc1c(Br)cc(C)c([C@@H](Br)c2ccccc2Cl)c1Br 2365183593 KAACXADJLYOBIL-ZDUSSCGKSA-N 483.425 6.666 50 10 JKGE Cc1cc(Br)c(F)c(Br)c1[C@H](Br)[C@H]1CCC[C@H](C)CC1 2365223029 JPTZPACNYSWJAS-NURSFMCSSA-N 471.046 7.312 50 10 JKGE CC[C@H](O[C@H]1CN(C(=O)OC(C)(C)C)C[C@@H]1I)c1ccc(C(F)(F)F)cc1 2369783168 OLNPPIVUNCEUDR-JYJNAYRXSA-N 499.311 5.596 50 10 JKGE Cl[C@@H]1CC[C@@H]2CCCN(Cc3ccc(I)c(Br)c3)[C@@H]2C1 2377334234 HUZRIYIVBPLAKP-WOSRLPQWSA-N 468.604 5.426 50 10 JKGE C[C@@H](Cl)C[C@@H]1CCCCCN1Cc1ccc(I)c(Br)c1 2377336515 CFRODHQGKZCKPC-OCCSQVGLSA-N 470.620 5.816 50 10 JKGE CC(C)(C)OC(=O)NC[C@@H]1CN(C[C@](C)(CBr)C(C)(C)C)C[C@H]1C(F)(F)F 2380195030 CYLJDUULQNCEFU-LBTNJELSSA-N 459.391 5.069 50 10 JKGE CC1CCC([C@H](CBr)NCc2cc(I)ccc2Cl)CC1 2380516852 HNGBGMUBIAHPLQ-PPUFBPAQSA-N 470.620 5.624 50 10 JKGE O=C(NC(=S)NNC(=O)C(c1ccccc1)c1ccccc1)c1sc2ccccc2c1Cl 12502497 XLCWNKKFSBTAQV-UHFFFAOYSA-N 480.014 5.022 50 10 JKGE N#C/C(=C/c1ccc(OCc2c(F)cccc2Cl)cc1)C(=O)Nc1ccc(C(=O)O)cc1 33621086 GAPHSBAACJVZIH-ATVHPVEESA-N 450.853 5.302 50 10 JKGE COC(=O)c1cccc(Cn2cc(/C=C(\C#N)C(=O)Nc3cccc(Cl)c3)c3ccccc32)c1 33783548 XCOBYPHEMFHUMJ-DEDYPNTBSA-N 469.928 5.675 50 10 JKGE CCCCCOc1ccc(/C=C(/C#N)C(=O)Nc2ccc(C(=O)OCCCC)cc2)cc1OC 33858910 AIWOIKVWLPAPAY-XLNRJJMWSA-N 464.562 5.767 50 10 JKGE Cc1cccc(N2C(=O)CS[C@@H]2c2ccc(NC(=O)[C@H](Cl)c3ccccc3)cc2)c1C 35927174 CCIMRFDAEUYZSW-ILBGXUMGSA-N 450.991 6.001 50 10 JKGE N#CC1=C(N)Oc2cc(OC(=O)COc3ccc(Cl)cc3Cl)ccc2[C@H]1c1ccccc1F 38651926 OBQAZYDYIUXKAI-HSZRJFAPSA-N 485.298 5.335 50 10 JKGE CC(C)CCOc1cccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4ccc(Cl)cc4)ccc32)c1 38684627 VESPRRDXKLJDHY-AREMUKBSSA-N 488.971 6.202 50 10 JKGE O=C(CCCc1c(-c2ccc3ccccc3n2)[nH]c2ccccc12)NNC(=O)c1ccc(F)cc1 39867144 JDFJATODDRBKIQ-UHFFFAOYSA-N 466.516 5.306 50 10 JKGE CC(C)(C)CC(C)(C)c1ccc(OCC(=O)NNC(=O)COc2cc(Cl)ccc2Cl)cc1 40844974 VPPBFZBOYXATGJ-UHFFFAOYSA-N 481.420 5.312 50 10 JKGE C[C@@H](SCc1ccccc1)C(=O)N/N=C/c1ccc(Oc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])cc1 59151517 NRJJUPDCWMPYHR-HUSFYUSLSA-N 480.502 5.067 50 10 JKGE CC/C(=N/NC(=O)c1ccc(COc2ccccc2-c2ccccc2)cc1)c1cccc(Cl)c1 89914159 DENJBTQWOGKMGJ-QVTSOHHYSA-N 468.984 7.130 50 10 JKGE COc1cc(/C=C(/C#N)c2cccc(Cl)c2)c(Br)cc1OCc1ccc(C)cc1 96936249 UQDNAEBYMDXEDC-JMIUGGIZSA-N 468.778 7.063 50 10 JKGE CCc1ccc(N2C(=O)[C@H](Cc3ccccc3F)S/C2=C(/C#N)C(=O)Nc2ccc(C)cc2)cc1 101245914 OCXJHHHOQYSUQI-IDJUBOEBSA-N 485.584 5.762 50 10 JKGE CC1=C(C#N)C(=O)N(C(C)C)C(=O)/C1=C/c1cn(-c2ccccc2)nc1-c1ccc(Cl)cc1 101333762 LWLSRRVDXNJXJC-LPYMAVHISA-N 456.933 5.193 50 10 JKGE CCOCCCN1C(=O)C(C#N)=C(C)/C(=C\c2cn(-c3ccccc3)nc2-c2cc(C)ccc2C)C1=O 101335909 UWVCHYZQFGRVQI-YZSQISJMSA-N 494.595 5.175 50 10 JKGE COc1cc(Br)c([C@H](Br)c2ccc(Br)c(F)c2)cc1OC 109860044 BSPUSKQTHWMRAI-OAHLLOKOSA-N 482.969 5.852 50 10 JKGE Fc1ccccc1C(CBr)(CBr)Cc1cccc(Br)c1 118878335 NDMUHELNPGEPFC-UHFFFAOYSA-N 464.998 5.859 50 10 JKGE Cc1cc([C@@H](Br)c2csc(I)c2)sc1Br 126782642 XBPVPOPHROVFRD-VIFPVBQESA-N 478.012 5.969 50 10 JKGE FC(F)(F)Oc1ccc([C@H](Cl)c2cc(Br)c(Br)s2)cc1 131410802 NIEOPWLWJSSDTC-JTQLQIEISA-N 450.501 6.500 50 10 JKGE Fc1ccc([C@@H](Br)c2cc(C(F)(F)F)ccc2Br)cc1Br 159845193 QLIMCMSGGHCNMY-CYBMUJFWSA-N 490.914 6.854 50 10 JKGE COc1c(C)cc([C@H](Br)c2cc(Br)ccc2Br)cc1C 161121671 AYYVCXRAUHHARP-HNNXBMFYSA-N 463.007 6.321 50 10 JKGE CCCOc1ccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)/C=C\c4ccc(C)cc4)ccc32)cc1 205642362 RADLIJKDAQEWDX-MWPQVSDCSA-N 466.537 5.621 50 10 JKGE CCCCCN1C(=O)C(C#N)=C(C)/C(=C/c2ccc(OCc3ccc(C)cc3)c(OC)c2)C1=O 214238550 FKYGHWIVVZNQQK-HAHDFKILSA-N 458.558 5.365 50 10 JKGE CCCCOC(=O)c1ccccc1NC(=O)/C(C#N)=C\Nc1ccc(Cl)c(C(F)(F)F)c1 217240379 PYRDCFILLFGDRM-YPKPFQOOSA-N 465.859 5.774 50 10 JKGE CC[C@@H](C)[C@@H](c1ccccc1)[C@@H](Br)c1cc(Br)ccc1Br 217516043 CDEYTQOTXDKKGY-UUWFMWQGSA-N 475.062 7.478 50 10 JKGE CCOc1ccc([C@H](Br)c2ccc(I)cc2)cc1Br 228996879 XTUFPJTUONNLCC-OAHLLOKOSA-N 495.980 5.937 50 10 JKGE COc1cc([N+](=O)[O-])ccc1-c1ccc(C=NNC(=O)c2cc3c(ccc4ccccc43)o2)o1 252616442 KANIDQZQWSDZOH-UHFFFAOYSA-N 455.426 5.527 50 10 JKGE CC[C@H](Oc1cccc(Br)c1)C(=O)NN=Cc1cccc(Oc2ccccc2)c1 254557704 OYCKMOQQMIJJHC-QFIPXVFZSA-N 453.336 5.549 50 10 JKGE O=C(CSc1nnc(-c2ccccc2)s1)NN=Cc1ccc(OCc2ccccc2Cl)cc1 256028466 OICWZUGLSZSDAQ-UHFFFAOYSA-N 495.029 5.680 50 10 JKGE C[C@H]1[C@@H](n2c(CCl)nc3cc(I)c(F)cc32)CCN1Cc1ccccc1 311594717 DXMPOPZGDACGFQ-UGSOOPFHSA-N 483.756 5.354 50 10 JKGE Cc1cc(C)c([C@H](Br)c2cnn(C)c2I)c(C)c1Br 379205640 KAPFIOKDBMTAKO-CYBMUJFWSA-N 498.000 5.197 50 10 JKGE C[C@H](Cl)c1nc2cc(Br)c(F)cc2n1[C@@H]1CCCN(Cc2ccccc2)C1 379555121 GMJYXZOIDIJYRR-GOEBONIOSA-N 450.783 6.075 50 10 JKGE Fc1cc2c(cc1I)nc(CCCl)n2[C@H]1CCCN(Cc2ccccc2)C1 379555433 RPLNWXXUNDUPEY-INIZCTEOSA-N 497.783 5.398 50 10 JKGE C[C@H]1CCN(c2ccc(CBr)c(Br)c2)CCN1Cc1ccccc1 382661549 RZUCAEGFOWUEBY-INIZCTEOSA-N 452.234 5.445 50 10 JKGE C[C@H](Cl)c1nc2cc(I)c(F)cc2n1C[C@@H](C)COCc1ccccc1 390392626 LGIKBTVHHHEBMO-KGLIPLIRSA-N 486.756 5.933 50 10 JKGE Fc1c([C@H](Br)c2sccc2I)cnn1-c1ccccc1 394222376 IAUGVWQFVVALAM-LBPRGKRZSA-N 463.113 5.162 50 10 JKGE COc1cccc([C@@H](Br)c2cc(Br)sc2Br)c1F 397458308 OALDTRKPZAPXMX-SNVBAGLBSA-N 458.972 5.905 50 10 JKGE Cc1ccc(Br)c([C@H](Br)c2c(Br)cc(F)c(F)c2F)c1 398746116 UUBPRZBWAKMTHB-LBPRGKRZSA-N 472.924 6.422 50 10 JKGE CC[n+]1c(/C=C/C(C=O)=C2C=C(c3ccccc3)OC(c3ccccc3)=C2)sc2ccccc21 685944556 WPCRNMYUQHKUHG-ISLYRVAYSA-N 462.594 6.830 50 10 JKGE Cl[C@@H](c1ccc(C2CC2)s1)c1cc(Br)ccc1I 707968696 YZFJLMGNIWYECC-CQSZACIVSA-N 453.570 6.321 50 10 JKGE O=C(NN=Cc1cccc(Br)c1)c1ccc(OCc2ccc(Br)cc2)cc1 1081086822 QITHUUABYFKSHJ-UHFFFAOYSA-N 488.179 5.555 50 10 JKGE CCOc1ccc(C(=O)NN=Cc2c(OCc3cccc(Cl)c3)ccc3ccccc23)cc1 1083877700 CWARLMTZZJGGLC-UHFFFAOYSA-N 458.945 6.235 50 10 JKGE C#CCOc1ccc(C=NNC(=O)c2ccc(-n3c(C)ccc3-c3ccccc3)cc2)cc1OC 1083972622 VWSKLBSSSJUMDG-UHFFFAOYSA-N 463.537 5.237 50 10 JKGE CC(=NNC(=O)c1cc2ccccc2cc1O)c1ccc(OCc2cccc3ccccc23)cc1 1084297433 TVGRPTYBJMJRNJ-UHFFFAOYSA-N 460.533 6.432 50 10 JKGE CCCCOc1ccc(NC(=O)c2oc3c(c2C)C(=NNC(=O)c2ccc(O)cc2)CCC3)cc1 1772745298 VWTGQBOHWSABJX-UHFFFAOYSA-N 475.545 5.195 50 10 JKGE COc1cc(C=NNC(=O)COc2cc(C)cc(C)c2)ccc1OCc1c(Cl)cccc1Cl 1772753834 KZYSHUNCKRQAAC-UHFFFAOYSA-N 487.383 5.727 50 10 JKGE N#CC1=C(N)Oc2c(c(-c3ccccc3)nn2-c2ccc(Cl)c(Cl)c2)[C@H]1c1cccc(Cl)c1 1865683072 FJWBDZTXAHNCCJ-NRFANRHFSA-N 493.781 6.718 50 10 JKGE CCCCCOc1ccc([C@H]2C(C#N)=C(N)Oc3c2c(-c2ccccc2)nn3Cc2ccccc2)cc1 1865690353 PDNWKNQLDSMEJA-MHZLTWQESA-N 490.607 6.386 50 10 JKGE N#CSc1ccc(NC(=O)[C@@H](Cc2ccc(F)cc2)NC(=O)C[C@@H](c2ccccc2)C2CC2)cc1 1866712021 KPNSRESLXYJSRO-IZZNHLLZSA-N 487.600 5.649 50 10 JKGE CC[C@@](C)(NC(=O)[C@@H](C)c1ccc(Br)cc1)C(=O)Nc1ccc(SC#N)cc1 1866943419 BUOKXMLKQZXTMS-LHSJRXKWSA-N 460.397 5.049 50 10 JKGE CCC[C@H](NC(=O)[C@@H](c1ccc(OC)cc1)C1CCCC1)C(=O)Nc1ccc(SC#N)cc1 1867011573 MZXQSJXXXRUQOJ-BJKOFHAPSA-N 465.619 5.466 50 10 JKGE CC(C)c1nc(Nc2ccc(SC#N)cc2)cc(N2CCN(CCc3c[nH]c4ccccc34)CC2)n1 1868231263 AWWKJDBCZNFZJD-UHFFFAOYSA-N 497.672 5.763 50 10 JKGE N#CSc1ccc(Nc2cc(N3CCC[C@H](Oc4ccccc4)C3)nc(-c3ccccc3)n2)cc1 1868365531 RTKPCHVJOFBUGI-DEOSSOPVSA-N 479.609 6.508 50 10 JKGE COc1ccc(-c2csc(/C(C#N)=C(\O)C(c3ccccc3)c3ccccc3)n2)cc1OC 1872745373 KFVNXUCGABBVAP-QLYXXIJNSA-N 454.551 6.452 50 10 JKGE CCCCCc1ccc([C@@H](Br)c2cc(Br)sc2Br)s1 1889032491 DSGIBJGFYOQXPM-ZDUSSCGKSA-N 487.120 7.552 50 10 JKGE Cc1nscc1[C@H](Br)c1cc(Br)ccc1OCc1ccccc1 1899866496 XCLROMWENFQFOO-GOSISDBHSA-N 453.199 6.277 50 10 JKGE Clc1ccc(C[C@@H](Cl)c2cc(I)ccc2Br)nc1 1918238666 GXWWLTBOIVWZTD-CYBMUJFWSA-N 456.936 5.625 50 10 JKGE COc1ccc([C@@H](Cl)c2sc(Br)c(C)c2Br)cc1Br 1922896627 GUBDNVCIBOPXMW-LLVKDONJSA-N 489.454 6.681 50 10 JKGE Cc1c(Br)sc([C@H](Br)c2nn(C)cc2Cl)c1Br 1922932591 NHWCJLCXDSLFCN-SSDOTTSWSA-N 463.420 5.453 50 10 JKGE CC1CC(C[C@H](Br)c2c(Br)sc(Br)c2Br)C1 1926974123 ORFCUHJTUJFMKG-AHXFUIDQSA-N 495.900 6.908 50 10 JKGE CC(C)C[C@@H]1CN(C(=O)OC(C)(C)C)CC[C@]12CCC[C@H](CI)O2 1944828533 QOIFOSLYBLCPOL-GPMSIDNRSA-N 451.389 5.032 50 10 JKGE Fc1ccc([C@@H](Cl)c2csc(Br)c2Br)cc1Br 1945190835 UFOHWUJPCVLARF-SNVBAGLBSA-N 463.391 6.503 50 10 JKGE O=C(Nc1cccc(CBr)c1)c1csc(Br)c1Br 2032954185 YIOHRYSWZMYGPV-UHFFFAOYSA-N 453.981 5.420 50 10 JKGE CCOc1ccc([C@@H](Br)c2cc(Br)cs2)c(Br)c1 2052437181 NKXNLQCZKQWBPJ-CYBMUJFWSA-N 455.009 6.156 50 10 JKGE CC(C)[C@@H](C)N(Cc1ccccc1)S(=O)(=O)c1cc(CBr)ccc1Br 2059315387 ZICMNVHZQNMJKG-OAHLLOKOSA-N 489.273 5.579 50 10 JKGE Fc1cc(Br)cc(Oc2c(CBr)ccc(Br)c2Cl)c1 2098117516 PKUUHRNVRRGJIW-UHFFFAOYSA-N 473.361 6.691 50 10 JKGE CC(C)(CBr)[C@H]1CCCN1Cc1cc(Cl)ccc1I 2099631988 YFXXKZIGXJAHDV-CQSZACIVSA-N 456.593 5.330 50 10 JKGE Cc1cc(Br)c([C@H](Cl)c2c(Br)sc(C)c2C)cc1Br 2101002495 COCWRPPRBKHUMS-ZDUSSCGKSA-N 487.482 7.289 50 10 JKGE CCOc1ccc([C@@H](Br)c2cc(C)sc2Br)cc1Br 2101014155 KCWRZFMVMZMTFC-CYBMUJFWSA-N 469.036 6.465 50 10 JKGE COc1cc(F)c(Br)cc1[C@H](Br)c1cc(C)sc1Br 2101015722 ZJDFEBFSSMEWDA-LBPRGKRZSA-N 472.999 6.214 50 10 JKGE CC1(C)C[C@H](CBr)CN(Cc2cccc(Br)c2Br)C1 2115951659 AZCYPIXYWKIQDL-LLVKDONJSA-N 454.044 5.455 50 10 JKGE Clc1cc(Br)cnc1COc1cccc(Br)c1CBr 2127189126 NADXUQYIAAHYPB-UHFFFAOYSA-N 470.386 5.734 50 10 JKGE O=C(c1cc(Br)sc1Br)N1CC[C@@H](CBr)C12CCC2 2133824739 IEYSQOFZVYHMMB-QMMMGPOBSA-N 472.040 5.053 50 10 JKGE F[C@H]1[C@H](Br)C[C@H]2CC[C@H]1N2Cc1ccc(Br)cc1Br 2134127006 RDIIFIFHAPGPFQ-ZRJCITRHSA-N 455.991 5.050 50 10 JKGE Cc1cc(Br)c([C@H](Br)[C@@H]2C[C@H]2C2CCCC2)cc1Br 2135274795 YNRJAKVQFCFIJF-HWWQOWPSSA-N 451.040 6.782 50 10 JKGE Cc1cc(Br)c(C)c([C@H](Br)[C@H]2C[C@@H]2C(C)(C)C)c1Br 2136366090 DUGILGGAQAFPQA-ZIBATOQPSA-N 453.056 6.947 50 10 JKGE Cc1c(Br)ccc([C@@H](Br)C23CCCC2CCC3)c1Br 2138849769 FQNADOBPHBXPDF-YWCUFVOSSA-N 451.040 6.926 50 10 JKGE Cc1c(Br)ccc([C@H](Br)[C@@H]2CC23CCOCC3)c1Br 2138850187 LPKJCIJYTXBQRL-FZMZJTMJSA-N 453.012 5.773 50 10 JKGE Cc1c(Br)ccc([C@H](Br)C2C[C@@H]3CCC[C@H]3C2)c1Br 2138853193 PWDSXUFQCPLSMX-XMZIXOGTSA-N 451.040 6.782 50 10 JKGE Fc1cc(Cl)c([C@@H](Br)c2cccc(Br)c2Br)cc1Cl 2139425817 GKPYTKMYWLBPFD-LBPRGKRZSA-N 491.807 7.142 50 10 JKGE BrCc1c(Br)cccc1N1CCCc2c(Br)cccc21 2145027718 IADYIAJMHXNYQW-UHFFFAOYSA-N 460.007 6.191 50 10 JKGE C[C@@H](c1cscc1Br)N(C)c1cc(Br)cc(F)c1CBr 2186583247 ZQNHIAHLDDNGJO-QMMMGPOBSA-N 486.042 6.505 50 10 JKGE C[C@@H]1OC2(CC(CBr)(CBr)c3ccccc3Br)CC1C2 2188987443 YQIHGLOOFWXFMW-FZWSLVFFSA-N 467.039 5.434 50 10 JKGE COCc1cccc([C@@H](Br)c2cc(Br)c(C)cc2Br)c1 2191250521 OLXVKKVTUYZPRW-MRXNPFEDSA-N 463.007 6.151 50 10 JKGE Cc1cc(Br)c(C)c([C@H](Br)[C@@H]2[C@H](C)O[C@H](C)[C@H]2C)c1Br 2201069594 LOKWLIAXYTWYHD-HRDVVGCCSA-N 469.055 6.324 50 10 JKGE Cc1c(Br)ccc([C@H](Br)c2scc3c2CCCC3)c1Br 2203684756 IBSFEGHJOWKENL-HNNXBMFYSA-N 479.075 6.945 50 10 JKGE CCCCCCCCCC[C@H](Br)c1ccc(Br)cc1Br 2203686776 VFJRKWZYDHCZAW-INIZCTEOSA-N 469.099 8.178 50 10 JKGE COc1cc(Cl)c([C@H](Cl)c2ccc(I)c(C)c2)cc1Br 2207109824 BIIHEUYXYRTKLM-OAHLLOKOSA-N 485.974 6.352 50 10 JKGE ClCc1cc(Cl)cc(Br)c1OC[C@@H]1CC1(Br)Br 2213082422 HISLQRLBQHQOJB-ZETCQYMHSA-N 467.810 5.726 50 10 JKGE Cc1cc(Br)c([C@H](Br)c2cc(Br)sn2)c(C)c1Cl 2217618761 SBQIXVHKOIEDAH-LLVKDONJSA-N 474.443 6.423 50 10 JKGE Cc1c(Br)sc([C@H](Cl)c2cccc(F)c2I)c1C 2218784389 XTZYKWHUVYVGQU-SNVBAGLBSA-N 459.549 6.199 50 10 JKGE ClCc1nc2cc(Br)c(Br)cc2n1Cc1ccsc1Br 2234070400 UKJKHHDXAGKWDB-UHFFFAOYSA-N 499.453 6.172 50 10 JKGE Cc1cc(Br)c([C@H](Br)CC[C@@H]2CCCCO2)c(C)c1Br 2235605221 QQTPWFJKCYYIEB-QWHCGFSZSA-N 469.055 6.614 50 10 JKGE Cc1cc(Br)c([C@H](Br)[C@@H]2C[C@H]3O[C@H]2[C@@H]2C[C@@H]32)c(C)c1Br 2235613771 AYRGRBZMZIZLOH-HSDLRYQZSA-N 465.023 5.688 50 10 JKGE CCc1cc([C@H](Br)c2sc(C)c(Br)c2C)sc1Br 2256055285 OFYXGNVPBCUBKT-NSHDSACASA-N 473.093 6.998 50 10 JKGE COc1ccc([C@H](Br)c2cccc(Br)c2)cc1I 2257370472 SSVMEINWYFMDMP-CQSZACIVSA-N 481.953 5.547 50 10 JKGE Cc1cc(Br)c([C@H](Br)c2cnn(C)c2Br)c(C)c1F 2264495585 UQEOCPAUHLZSED-LLVKDONJSA-N 454.963 5.185 50 10 JKGE Fc1cccc([C@H](CI)OCc2ccc(Br)cc2F)c1 2281412931 AXJOJLDTRUBOFR-HNNXBMFYSA-N 453.064 5.420 50 10 JKGE COc1ccc([C@H](Br)[C@@]23CCCC[C@H]2OCC3)cc1I 2284997591 HFYUBLIGLKTUGG-OWCLPIDISA-N 451.142 5.085 50 10 JKGE COc1cc(C)c(Br)c(C)c1[C@H](Br)c1cc(Br)n(C)n1 2285074523 JZVNGYSMDNFWRU-CQSZACIVSA-N 466.999 5.055 50 10 JKGE C[C@H]1C[C@H]([C@@H](Br)c2c(F)cc(Br)c(F)c2Br)C[C@@H](C)O1 2288366277 ZHZRZPCUILCNAB-BSFVXNEUSA-N 476.981 6.129 50 10 JKGE Fc1cc(Br)c(F)c(Br)c1[C@H](Br)CCC1CCCCC1 2288374037 OUSBRHWDMKEXIN-SNVBAGLBSA-N 475.009 7.286 50 10 JKGE CCCN[C@@H](c1c(F)cc(Br)c(F)c1Br)[C@H]1C[C@H](Br)C1 2288549058 HASLYFJVIHGUEN-WFEFGEHDSA-N 475.997 5.704 50 10 JKGE COc1cc(C=C(C#N)c2ccc([N+](=O)[O-])cc2)cc(Br)c1OCc1ccccc1Cl 2294522391 UFBBZABGTGBSAT-UHFFFAOYSA-N 499.748 6.662 50 10 JKGE CCC(=O)N1CCN(C(=O)C(C#N)=C2SC=C(c3ccc(C)cc3)N2c2cccc(Cl)c2)CC1 2297486343 HMULRPBWARTCFW-UHFFFAOYSA-N 493.032 5.016 50 10 JKGE Cc1ccc(OCCCn2cc(C=C(C#N)C(=O)Nc3nc4ccccc4s3)c3ccccc32)cc1 2297500369 NMEZWHOREGXQPH-UHFFFAOYSA-N 492.604 6.574 50 10 JKGE Clc1ccc([C@H](Cl)c2sc(Cl)cc2Br)c(I)c1 2301795460 FWCZVBMEWSYWLW-JTQLQIEISA-N 482.395 6.750 50 10 JKGE N#CC(=Cc1cn(Cc2ccc(Br)cc2)c2ccccc12)C(=O)NC1CCCCC1 2313540729 QPFQSNRLOXGMEO-UHFFFAOYSA-N 462.391 5.808 50 10 JKGE COc1ccc(NC(=O)C(C#N)=Cc2cc(Cl)ccc2OCc2ccccc2Cl)cc1 2313541193 ZZPVMGLADUMUCS-UHFFFAOYSA-N 453.325 6.127 50 10 JKGE Cc1ccc(NC(=O)C(C#N)=Cc2cc(C)n(-c3ccc(Br)cc3F)c2C)cc1 2313567001 ANDDWAZOCRZVOD-UHFFFAOYSA-N 452.327 5.850 50 10 JKGE Cc1ccc(NC(=O)C(C#N)=Cc2cc(Cl)c(OCc3ccccc3)c(Br)c2)cc1 2313568033 NYUQYWGKKHRHMA-UHFFFAOYSA-N 481.777 6.536 50 10 JKGE COC(=O)c1ccc(-n2c(C)cc(C=C(C#N)C(=O)Nc3cccc(Cl)c3Cl)c2C)cc1 2313571095 NFKQJCQDXHSAGF-UHFFFAOYSA-N 468.340 5.733 50 10 JKGE COc1cccc(C=C(C#N)C(=O)Nc2cc(Cl)ccc2Cl)c1OCc1ccccc1Cl 2313631780 VLWWPKYVUCQTPX-UHFFFAOYSA-N 487.770 6.780 50 10 JKGE Cc1ccc(-c2nc(C(C#N)=CC3=Cc4ccccc4O[C@H]3C)sc2NC(=O)c2ccccc2)cc1 2314433105 JNBYWNXBQJBWQK-FQEVSTJZSA-N 489.600 7.142 50 10 JKGE Brc1cc(OCc2ccccc2)ccc1[C@H](Br)C1CC2(CCOC2)C1 2314456630 YJOAZGGCTOPZIT-ZWVUXNTGSA-N 466.213 6.281 50 10 JKGE CCOc1ccc(NC(=O)C(C#N)=Cc2cn(-c3ccccc3)nc2-c2cccc(OC)c2)cc1 2314476194 KMDNPXIQDMUVSM-UHFFFAOYSA-N 464.525 5.492 50 10 JKGE COc1ccc(N2C(=O)[C@H](Cc3ccccc3C)SC2=C(C#N)C(=O)Nc2cccc(C)c2)cc1 2314592546 XEDRCZIUJGLKHY-VWLOTQADSA-N 483.593 5.377 50 10 JKGE C=CCNC(=O)C(C#N)=C1S[C@@H](Cc2ccc(Cl)cc2Cl)C(=O)N1c1ccc(CC)cc1 2314594067 YMZJHXHVHVMASD-NRFANRHFSA-N 486.424 5.284 50 10 JKGE N#CC1=C(N)Oc2cc(OC(=O)C=Cc3ccccc3Cl)ccc2[C@@H]1c1cccc([N+](=O)[O-])c1 2314634103 MLXNQCYIXVYWIM-DEOSSOPVSA-N 473.872 5.085 50 10 JKGE CCc1sc(NC(=O)C(C#N)=Cc2ccc(C(C)C)cc2)nc1-c1ccc(Br)cc1 2314793610 VERRPBOIFSDOMX-UHFFFAOYSA-N 480.431 6.804 50 10 JKGE C[C@@H]1[C@@H]([C@@H](Br)c2c(Cl)cc(Br)c(F)c2Br)C1(F)F 2315442742 YJXQFMQVNMUJKX-PLLMXSQQSA-N 471.336 6.341 50 10 JKGE C[C@@H]1COC[C@@H]1[C@H](Br)c1c(Cl)cc(Br)c(F)c1Br 2315445881 QNEBFMABQGPALE-KORWRZNCSA-N 465.382 5.723 50 10 JKGE FC(F)(F)c1ccc([C@H](Br)c2sc(Cl)cc2I)s1 2316601233 QERKZESBYCFSMD-QMMMGPOBSA-N 487.531 6.571 50 10 JKGE COc1c(Br)cc(C)c([C@@H](Br)c2cnsc2)c1Br 2317402837 IKBANAIGLXFRMR-JTQLQIEISA-N 455.997 5.469 50 10 JKGE CC(=NNC(=O)c1ccc(-c2ccc(Cl)c(Cl)c2)nc1C)c1ccc2c(c1)CCCC2 2321281139 RAQQZOYGWYEFQZ-UHFFFAOYSA-N 452.385 6.397 50 10 JKGE COc1cc(OC)c(OC)cc1C=C1Oc2cc(OCc3ccc(CCl)cc3)ccc2C1=O 2325339418 RQRIXRRXIMPYKL-UHFFFAOYSA-N 466.917 5.646 50 10 JKGE Cc1ccc(OCC(O)=C(C#N)c2nc(-c3cccc(Br)c3)cs2)c(C(C)(C)C)c1 2331278961 VFMCIMUNVWDCRT-UHFFFAOYSA-N 483.431 7.050 50 10 JKGE COc1ccc(CC(O)=C(C#N)c2nc(-c3ccc(Oc4ccccc4)cc3)cs2)cc1OC 2331358496 DOBAAJWYTFBUMP-UHFFFAOYSA-N 470.550 6.655 50 10 JKGE CCCCCOc1ccc(C=C(C#N)c2nc(-c3ccc(OC)c(OC)c3)cs2)cc1OC 2331417255 ADYLDXXPTJBNTR-UHFFFAOYSA-N 464.587 6.469 50 10 JKGE N#CC(=Cc1c(OCc2ccccc2)ccc2ccccc12)c1nc(-c2ccc(F)cc2F)cs1 2331437699 DJZBKESZGOHIMP-UHFFFAOYSA-N 480.539 7.885 50 10 JKGE CC(C)c1ccc(-c2csc(C(C#N)=Cc3ccc(OCc4ccc(Cl)cc4)cc3)n2)cc1 2331456542 BAFYVKUUXAMHGS-UHFFFAOYSA-N 471.025 8.230 50 10 JKGE COc1cc(C=C(C#N)c2nc(-c3cc(C)cc(C)c3OC)cs2)cc(Br)c1O 2331468632 HJBCOQUFJVRSJO-UHFFFAOYSA-N 471.376 5.976 50 10 JKGE CC(C)(C)OC(=O)N1CCC(CCC2CCN(CCCCI)CC2)CC1 2335969007 GBDFKKLBTHLGNG-UHFFFAOYSA-N 478.459 5.341 50 10 JKGE COC1CC2(C1)CC([C@H](Br)c1cc(Br)ccc1OCc1ccccc1)C2 2336077113 FLFUILQDEJQFQK-RVYMYEGSSA-N 480.240 6.669 50 10 JKGE CC(C)(C)O[C@H]1C[C@@H]([C@H](Br)c2cc(Br)ccc2OCc2ccccc2)C1 2336077763 KSRNDLONMTVJNY-CDXJDZJCSA-N 482.256 7.058 50 10 JKGE C[C@@H]1CC[C@H](C[C@H](Br)c2c(Cl)cc(Br)c(F)c2Br)O1 2337093582 GTKUPMWRYWUSIL-PRJMDXOYSA-N 479.409 6.398 50 10 JKGE Fc1c(Br)cc(Cl)c([C@H](Br)C2CC(C3CC3)C2)c1Br 2337101912 ALVMTHKPPRUPQT-WZQIAMPNSA-N 475.421 6.876 50 10 JKGE Fc1c(Br)cc(Cl)cc1C[C@H](Br)c1ccccc1Br 2337144894 GTZIVURVEMQPRY-LBPRGKRZSA-N 471.389 6.683 50 10 JKGE C[C@](CBr)(Cc1ccc(Cl)cc1I)C1CCCCC1 2341045747 CKBOBCKOGWXBKU-MRXNPFEDSA-N 455.605 6.469 50 10 JKGE CC(C)(CI)COc1cc(Br)c(F)cc1C(F)(F)F 2351673526 AEUKKRNRZJYJND-UHFFFAOYSA-N 455.027 5.447 50 10 JKGE Fc1c(Br)cc(Cl)c([C@@H](Br)CC[C@H]2CCCCO2)c1Br 2362253783 JZTGUHUNBAINOZ-BDAKNGLRSA-N 493.436 6.789 50 10 JKGE Cc1nc(Br)c([C@@H](Br)c2c(Br)cc(F)c(Cl)c2F)n1C 2362440254 BBRWETLNNIUKPB-QMMMGPOBSA-N 493.371 5.669 50 10 JKGE CCCc1sc(Br)cc1[C@H](Cl)c1cc(Cl)c(C)c(Br)c1 2363276268 YUHYBYJMESZFGH-OAHLLOKOSA-N 457.058 7.516 50 10 JKGE FC1(F)[C@H]2CCC[C@H]1CC([C@@H](Cl)c1sc(Cl)cc1I)C2 2363960718 ZKNSXMRNLOXDPV-HOTUBEGUSA-N 451.147 6.748 50 10 JKGE Cc1cc(Br)c(F)c(Br)c1[C@@H](Br)C1(C)CC2(CCC2)C1 2365194421 QRYWCAZRJBUKHP-CQSZACIVSA-N 469.030 7.066 50 10 JKGE COc1cc(F)c(Br)cc1[C@H](Cl)c1ccc(Cl)cc1I 2365598109 NVBVOYIARBASMQ-CQSZACIVSA-N 489.937 6.183 50 10 JKGE FC1(F)[C@H]2C[C@H](CO[C@@H](CI)c3cccc(Br)c3)C[C@H]21 2369977961 KBEXSYCIQXAARR-WTDIUWLJSA-N 457.096 5.233 50 10 JKGE CC(C)O[C@H]1CCC[C@H]1Oc1c(Br)cc(CBr)cc1Br 2371026170 PXHRDJWDXVICLR-UONOGXRCSA-N 471.027 5.831 50 10 JKGE Cc1ccc(C[C@H]2S/C(=C(\C#N)C(=O)NCc3ccccc3)N(c3ccc(C)cc3)C2=O)cc1 934935 AMPNWXBBLXGXLE-NJEMLTPYSA-N 467.594 5.046 50 10 JKGE Cc1ccc(CCN(C(=O)CCl)[C@H](C(=O)N[C@@H]2CCC[C@@H](C)[C@H]2C)c2ccc(F)cc2)cc1 3036446 ZFQCSMFPQUUXPQ-MGAFBPAPSA-N 473.032 5.426 50 10 JKGE CC(C)(C)c1cc(/C=N/NC(=O)CP(=O)(c2ccccc2)c2ccccc2)cc(C(C)(C)C)c1O 3145945 BZBQICUUBRRMFS-NDZAJKAJSA-N 490.584 5.451 50 10 JKGE COc1ccc2nc(N(/N=C/c3ccco3)C(=O)c3cc(Cl)sc3Cl)sc2c1 9629143 VLABCJNFMBVNIG-ZVBGSRNCSA-N 452.344 5.947 50 10 JKGE COc1ccc(C(=O)N/N=C/c2ccc(OC)c(COc3cc(C)c(Cl)c(C)c3)c2)cc1 20615819 VLBWNVJIUDTOLQ-MZJWZYIUSA-N 452.938 5.317 50 10 JKGE N#C/C(=C/c1cc(Cl)ccc1OCc1c(F)cccc1Cl)S(=O)(=O)c1ccccc1 33470806 ZKLAVWZACDXZGP-PDGQHHTCSA-N 462.329 6.050 50 10 JKGE COc1ccc(/C(C#N)=C/c2ccc(N3N=C(c4ccccc4)C[C@H]3c3ccccc3)cc2)cc1OC 33568773 NKZJKVJOPZDUKM-BFOKUZPWSA-N 485.587 7.124 50 10 JKGE CCOC(=O)c1c(NC(=O)/C(C#N)=C\c2ccccc2)sc(C)c1-c1ccc([N+](=O)[O-])cc1 33595198 UTRJRUWUVAEYLF-AQTBWJFISA-N 461.499 5.354 50 10 JKGE N#C/C(=C\c1ccc(-c2ccc([N+](=O)[O-])cc2Cl)o1)c1nc(O)c2cc(Cl)ccc2n1 35518949 BBHPBDVMBOKVAQ-YRNVUSSQSA-N 453.241 5.875 50 10 JKGE CC(C)(C)c1ccc(C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@H]3c2ccc(C(C)(C)C)cc2)cc1 38649694 MYRSEHROSXCQHK-MHZLTWQESA-N 480.608 6.719 50 10 JKGE COc1cccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)COc4ccc(C(C)C)cc4)ccc32)c1 38650229 FXIYTCGGKRJGPV-HHHXNRCGSA-N 470.525 5.021 50 10 JKGE Cc1ccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)COc4ccc(Cl)cc4Cl)ccc32)o1 38659140 HUFQNVNIVNQZRU-JOCHJYFZSA-N 471.296 5.097 50 10 JKGE CCc1ccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)COc4ccc(C)c(C)c4)ccc32)cc1 38677423 PQIBVTNWLXAFCD-MHZLTWQESA-N 454.526 5.068 50 10 JKGE CCc1ccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)COc4cccc(Cl)c4)ccc32)cc1 38677657 KXZCDODBSHBAJX-RUZDIDTESA-N 460.917 5.105 50 10 JKGE CCCCCCOc1ccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4ccccc4)ccc32)cc1OC 38681920 VVLFKCNTUHLWMS-MUUNZHRXSA-N 498.579 6.092 50 10 JKGE CCCCOc1ccccc1[C@@H]1C(C#N)=C(N)Oc2cc(OC(=O)c3ccccc3Cl)ccc21 38682678 KIAAHBCNJFSZSN-VWLOTQADSA-N 474.944 5.956 50 10 JKGE Cc1ccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4oc5cc(C)c(Cl)cc5c4C)ccc32)o1 38688690 VRTNPYIDDPYBSL-QHCPKHFHSA-N 474.900 6.042 50 10 JKGE O=C(N/N=C1\C(=O)N(Cc2cccc3ccccc23)c2ccccc21)c1nc2ccccc2s1 59153065 UTZSSSHXLUXLFC-OLFWJLLRSA-N 462.534 5.130 50 10 JKGE O=C(N/N=C(/CSc1nc2ccccc2s1)c1ccc(Br)cc1)c1ccccc1 59460612 CSCCJHSYIPUUJB-PLRJNAJWSA-N 482.428 5.985 50 10 JKGE Cc1ccc(CS/C(Nc2ccccc2Cl)=C(/C#N)S(=O)(=O)c2ccccc2)cc1 96482138 LJYWERKCPXQECX-FCQUAONHSA-N 455.004 6.160 50 10 JKGE Cc1cccc(CS/C(Nc2cc(Cl)ccc2C)=C(/C#N)S(=O)(=O)c2ccccc2)c1 96482151 XZCRBWCXGWNEAF-VHXPQNKSSA-N 469.031 6.469 50 10 JKGE CCc1ccc(N2C(=O)[C@H](Cc3ccc(C)cc3)S/C2=C(/C#N)C(=O)N[C@@H](C)c2ccccc2)cc1 101242850 VOJUBHIPEBONLQ-IIXITYHRSA-N 495.648 5.861 50 10 JKGE COc1ccc(N/C=C(\C#N)c2nc(-c3cc4c(ccc5ccccc54)oc3=O)cs2)c(OC)c1 102407174 VLCXWWGEQGZRAC-SAPNQHFASA-N 481.533 6.063 50 10 JKGE COc1cc2c(cc1N/C=C(/C#N)c1nc(-c3cc4ccccc4oc3=O)cs1)oc1ccccc12 102420798 UVWLKAWCUUGOGG-VKAVYKQESA-N 491.528 6.801 50 10 JKGE ClCCc1nc2cc(I)ccc2n1-c1cc(Cl)ccc1Br 125839012 NJFYOQVNEFQEQP-UHFFFAOYSA-N 495.973 5.827 50 10 JKGE FC(F)(F)c1ccc(C[C@@H](Br)c2cc(Br)c(Br)s2)cc1 128295708 WHDOEQMMEWJOHK-SECBINFHSA-N 492.980 6.971 50 10 JKGE Cc1ccc([C@@H](Br)c2cc(Cl)c(Br)s2)cc1Br 130493807 HBVCUDJNALSGHX-LLVKDONJSA-N 459.428 6.719 50 10 JKGE COc1ccc([C@@H](Br)c2cccc(F)c2Br)c(Br)c1 156112087 KXSFQGVVVLLNNE-CYBMUJFWSA-N 452.943 5.844 50 10 JKGE CC1(C)[C@H]2CC[C@@]1(C)[C@H](O[C@@H](CI)c1cccc(Br)c1)C2 162497698 LUVGKLLGYGQOHL-SCNOPHJPSA-N 463.197 6.157 50 10 JKGE COc1ccc(CN(Cc2ccc(OC)cc2)C(=O)N[C@H]2CC(C)(C)C[C@@](C)(CN=C=O)C2)cc1 170289287 DERMVIMPNKZXPI-FIPFOOKPSA-N 479.621 5.336 50 10 JKGE C=C1C(=O)C[C@@H](O[Si](C)(C)C(C)(C)C)[C@@H]1/C=C\[C@H](CCCCC)O[Si](C)(C)C(C)(C)C 199192397 IGKHFOHAYMJIQY-QRLMRFKZSA-N 466.855 8.049 50 10 JKGE C=C(CC/C(C)=C/CC/C(C)=C/CC[C@@]1(C)[C@H](CCCO)/C(=C(/C)C=O)CC[C@]1(C)O)C(C)C 206171573 FNYATHKWPGEORD-FSIJEPPWSA-N 472.754 7.887 50 10 JKGE O=C(Nc1ccc(CCBr)cc1)c1ccc(Br)cc1Br 232464648 MPSJHZBYCUOORT-UHFFFAOYSA-N 461.979 5.401 50 10 JKGE BrCc1ccc(Oc2ccc(I)cc2)cc1Br 232487000 SCURPPVHKYULMS-UHFFFAOYSA-N 467.926 5.741 50 10 JKGE COc1ccc([C@@H](Cl)c2cc(I)ccc2Br)cc1Cl 234979916 AMMDYRVMHQCXJR-CQSZACIVSA-N 471.947 6.044 50 10 JKGE Cc1cc([C@H](Br)c2cc(Br)cc(Br)c2)cc(C)c1F 235856934 OYXQRNNRZKAEFJ-AWEZNQCLSA-N 450.971 6.452 50 10 JKGE CC(=NNC(=O)c1cccc(Br)c1)c1ccc(OCc2ccc(Cl)cc2)cc1 252590531 ATBJKHQZLFRORH-UHFFFAOYSA-N 457.755 5.836 50 10 JKGE CC(C)CCC[C@@H](C)[C@@H]1CC[C@@H]2[C@H]3CC=C4CC[C@@H](OC(=O)CCCl)C[C@]4(C)[C@@H]3CC[C@]12C 253534610 YALMZSOWQWEZFX-VRTRSEJJSA-N 477.173 8.569 50 10 JKGE C[C@H]1CC(=NNC(=O)c2ccc(NS(=O)(=O)c3ccc(Br)cc3)cc2)CC(C)(C)C1 254865430 BOOYDRRVDPILMU-HNNXBMFYSA-N 492.439 5.182 50 10 JKGE Fc1ccc2c(c1)nc(CCl)n2-c1cc(I)ccc1Br 312471216 BFQZTMSEKZDJHQ-UHFFFAOYSA-N 465.491 5.271 50 10 JKGE CCOc1ccc([C@@H](Br)c2cc(Br)oc2C)c(Br)c1 396555344 VHRVXTBULYQHOY-CQSZACIVSA-N 452.968 5.996 50 10 JKGE COc1cc(Br)c([C@@H](Br)c2cscc2Br)cc1OC 404779185 VEKWCLONRUCGRZ-CYBMUJFWSA-N 471.008 5.775 50 10 JKGE 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 504439910 GSJLBVBYMSNTPZ-XWSKOCTESA-N 468.977 5.457 50 10 JKGE COc1ccc(COc2cc(Br)ccc2CBr)cc1Br 691453863 YXWGWCJDNQVELX-UHFFFAOYSA-N 464.979 5.694 50 10 JKGE Fc1ccc([C@H](Br)c2csc(I)c2)c(F)c1Br 691525386 TXDPTTCCYIKWOQ-SECBINFHSA-N 493.936 5.878 50 10 JKGE Cl[C@@H](c1cc(Br)c(Br)s1)c1ncsc1Br 698609435 KKSYWBVMGFLMMK-YFKPBYRVSA-N 452.418 5.820 50 10 JKGE FC(F)(F)c1cc(Cl)ccc1[C@H](Br)c1cc(Br)c(Cl)s1 712620276 OQFGDLFRTCNHKG-JTQLQIEISA-N 468.947 7.321 50 10 JKGE Cl[C@@H](c1ccc(I)c(Br)c1)c1sccc1Br 721585208 FXBSGSIDXNPAAY-JTQLQIEISA-N 492.401 6.206 50 10 JKGE CCCCc1ccc(-n2c(C)cc(C=NNC(=O)CC[C@H](O)c3ccc(OCC)cc3)c2C)cc1 1083994096 DSGDJVNUAAHKLU-NDEPHWFRSA-N 475.633 5.799 50 10 JKGE COc1cc(/C=C(\C#N)C(=O)Nc2cc(C)ccc2C)ccc1OCc1cccc(C(=O)O)c1 1084027259 GKGSXQQLYDSLPN-WSDLNYQXSA-N 456.498 5.135 50 10 JKGE Cc1c(Cl)cccc1NC(=O)/C(C#N)=C/c1cccc(OCc2ccc(Cl)cc2Cl)c1 1084128335 APYJRDDYOILMBQ-VCHYOVAHSA-N 471.771 7.080 50 10 JKGE O=C(CSCc1ccccc1Br)NN=Cc1ccc(Oc2ccccc2)cc1 1084452363 ZFYDQSKXDIDIHN-UHFFFAOYSA-N 455.377 5.625 50 10 JKGE COc1ccc(/C(C#N)=C/c2cccc(OC(=O)c3cccc(Br)c3)c2)cc1OC 1615067206 GGWHRXMOSULVKU-YBFXNURJSA-N 464.315 5.750 50 10 JKGE Cc1ccc(C)c(Cn2nc(-c3ccccc3)c3c2OC(N)=C(C#N)[C@H]3c2ccc(C(C)C)cc2)c1 1865685563 KLSXOOXUEYEQGE-HHHXNRCGSA-N 474.608 6.557 50 10 JKGE COc1ccc(-n2nc(C)c3c2OC(N)=C(C#N)[C@H]3c2ccc(OCc3ccc(C)cc3)cc2)cc1 1865693732 QPKOIIYKXCDQIA-HHHXNRCGSA-N 478.552 5.295 50 10 JKGE CCCCCCOc1ccc([C@H]2C(C#N)=C(N)Oc3c2c(C(F)(F)F)nn3CC)cc1OC 1865696141 KJJSFJOJGWNRDI-SFHVURJKSA-N 464.488 5.108 50 10 JKGE N#CC1=C(N)Oc2c(c(-c3ccccc3)nn2Cc2ccc(Cl)c(Cl)c2)[C@H]1c1ccc[nH]1 1865709949 KUVPJLLLXRZWAF-HXUWFJFHSA-N 462.340 5.451 50 10 JKGE N#C/C(=C\c1ccc(F)cc1)C(=O)Nc1cccc(Nc2ncnc3ccc(Br)cc23)c1 1866127488 LOOBQAHWJBZHON-MHWRWJLKSA-N 488.320 5.821 50 10 JKGE Cc1ccc(-c2nc(Nc3ccc(SC#N)cc3)cc(N3CC(C)(C)c4ccccc43)n2)cc1 1868321319 ZFYHFAPXAAFJRJ-UHFFFAOYSA-N 463.610 7.198 50 10 JKGE Cc1nc(Nc2ccc(SC#N)cc2)cc(N2CCN3CCc4c(Cl)cccc4[C@@H]3C2)n1 1868481094 ZMERTRZWMFHJOF-QFIPXVFZSA-N 463.010 5.175 50 10 JKGE CC[C@@H](C)N1C(=O)c2ccc(/C(O)=C(\C#N)c3nc(-c4cccc(OC)c4)cs3)cc2C1=O 1872743951 ALNHQXSRTUJXMK-KHESLQRKSA-N 459.527 5.163 50 10 JKGE COC(=O)c1ccccc1N1C[C@H](/C(O)=C(\C#N)c2nc(-c3ccc(C)c(C)c3)cs2)CC1=O 1872756065 BVFNZAKGFIBRGM-FCZGTTMTSA-N 473.554 5.059 50 10 JKGE CCOc1cc(/C=C(\C#N)c2nc(-c3ccc(OC)c(C)c3)cs2)ccc1OCc1ccccc1C 1872781102 UZETXTKCXVAQGB-MFKUBSTISA-N 496.632 7.477 50 10 JKGE COc1cc(/C=C(\C#N)c2nc(-c3cc(C)ccc3OC)cs2)ccc1OCc1ccc(C)cc1 1872791164 ZQNINEQSXLTNOD-OEAKJJBVSA-N 482.605 7.087 50 10 JKGE CCOc1cc(/C=C(\C#N)c2nc(-c3ccc4c(c3)OCO4)cs2)ccc1OCc1ccccc1C 1872792244 MZUINDQJMNURMY-FSJBWODESA-N 496.588 6.889 50 10 JKGE COc1c(Cl)cc(-c2csc(/C(C#N)=C/c3ccc(Cl)cc3Cl)n2)cc1Cl 1872794700 QUIZTTUTDGEAAE-UUILKARUSA-N 456.181 7.496 50 10 JKGE C[C@@H](CCl)N(Cc1ccccc1)S(=O)(=O)c1cc(Br)ccc1Br 1914350338 IOAMLWXRFKYXDV-LBPRGKRZSA-N 481.637 5.030 50 10 JKGE Clc1cccc(C[C@H](Br)c2sc(Br)cc2Br)c1 1922934172 CWGHGICKRZXIJE-VIFPVBQESA-N 459.428 6.605 50 10 JKGE Fc1cccc(Cl)c1C[C@@H](Br)c1sc(Br)cc1Br 1922945548 HNUGLBHINOPFCP-SSDOTTSWSA-N 477.418 6.744 50 10 JKGE FC(F)(F)C(F)(F)C[C@H](Cl)c1c(Br)sc(Br)c1Cl 1923066139 MGJNYMHTSGKGSC-REOHCLBHSA-N 456.883 6.794 50 10 JKGE FC(F)(F)COC[C@H](Cl)c1c(Br)sc(Br)c1Br 1924584530 YWVMVWHXDHCYFR-VKHMYHEASA-N 481.353 5.894 50 10 JKGE CC1(C)C[C@H]1C[C@H](Cl)c1c(Br)sc(Br)c1Br 1924615793 GKMPQYLTULHYND-RITPCOANSA-N 451.449 6.752 50 10 JKGE CN(C)CCCN(Cc1ccccc1)c1c(CBr)ccc(Br)c1Cl 1948739738 OGRZJLIRUPJPEU-UHFFFAOYSA-N 474.668 5.956 50 10 JKGE C[C@@H](c1ccncc1Br)[C@@H](Br)c1cscc1OCc1ccccc1 1950316285 GWTFORIRDPDLCP-ORAYPTAESA-N 467.226 6.724 50 10 JKGE Cc1nc([C@H](Cl)c2c(Cl)sc(Br)c2Cl)c(Br)s1 2003569135 MWXRKBHSGJLDLB-SCSAIBSYSA-N 456.439 6.673 50 10 JKGE Cc1sc(Br)cc1[C@H](Br)c1cc(I)ccc1F 2003649956 PLABDBDLBAYKBE-LBPRGKRZSA-N 489.973 6.047 50 10 JKGE Cc1cc([C@H](Br)c2cc(I)sn2)c(C)cc1Br 2007645470 RWWDDMYEQQTOSQ-LBPRGKRZSA-N 486.998 5.611 50 10 JKGE Cl[C@H](c1csc(I)c1)c1cc(Br)c2c(c1)CCO2 2030026071 UDKFOACGULMNDO-LBPRGKRZSA-N 455.542 5.378 50 10 JKGE CC(C=NNC(=O)c1cc(-c2cccnc2)nc2c1c(C)nn2-c1ccccc1)=Cc1ccccc1 2040469303 KMFWGHZDMJGOEA-UHFFFAOYSA-N 472.552 5.610 50 10 JKGE Cc1cc(Br)c([C@H](Br)CC(F)(F)C(F)F)cc1Br 2047856029 AQSIUOZGLOJYKK-SECBINFHSA-N 456.897 6.247 50 10 JKGE CO[C@H]1C[C@H]([C@@H](Br)c2cc(Br)sc2Br)C[C@H]1OC 2054488260 XAOVMIBQBIUGQX-GPUHXXMPSA-N 463.029 5.149 50 10 JKGE COc1cc(C)c([C@@H](Cl)c2sccc2I)cc1Br 2077999501 PFSXJEPRZNIGIS-GFCCVEGCSA-N 457.558 5.760 50 10 JKGE Fc1nc(-n2nc(CBr)c(Br)c2C(F)(F)F)ccc1C(F)(F)F 2078912594 SOFXGGOGKUFOTN-UHFFFAOYSA-N 470.968 5.101 50 10 JKGE COc1cc(Br)c(C)cc1[C@H](Br)c1ccccc1I 2089725570 ONPKCMGOWBHREH-OAHLLOKOSA-N 495.980 5.855 50 10 JKGE COc1cc(Br)c(C)cc1[C@H](Cl)c1cc(Br)sc1Br 2089733617 WZGXLNGWYCGBGL-LBPRGKRZSA-N 489.454 6.681 50 10 JKGE O=C(c1csc(Br)c1Br)N1[C@H]2CC[C@H]1CC(CBr)C2 2093942064 JRSJIEDAKBMOIM-IUCAKERBSA-N 472.040 5.051 50 10 JKGE Brc1cccc(C[C@H](Br)c2cc(C3CC3)c(Br)s2)c1 2094673151 HWJBJLTUIBOWNT-ZDUSSCGKSA-N 465.048 6.829 50 10 JKGE Clc1cc(Br)cc(C[C@@H](CBr)c2ccccc2Br)c1 2110524205 PPCABAXXYFHNDU-NSHDSACASA-N 467.426 6.586 50 10 JKGE COc1ccc(C[C@H](Br)c2cc(Br)sc2Br)cc1F 2112118119 VPBUZUXJILJNAE-VIFPVBQESA-N 472.999 6.100 50 10 JKGE CC(C)c1nc(C[C@@H](Br)c2ccccc2Br)c(Br)[nH]1 2113441402 HQAAQLSAUDWHBR-LLVKDONJSA-N 451.000 5.737 50 10 JKGE Brc1ccc(Br)c(C[C@@H]2CCCCCCC[C@H]2Br)c1 2118523892 CRGFBZMAZXGBSJ-SWLSCSKDSA-N 453.056 6.878 50 10 JKGE Brc1cccc(C[C@@H]2C[C@@H](Br)CC3(CCC3)C2)c1Br 2127179212 WINOKZUVMAZJQZ-DGCLKSJQSA-N 451.040 6.488 50 10 JKGE Cc1c(Br)ccc([C@@H](Br)C2CC(C(F)(F)F)C2)c1Br 2138873616 QFWKPGKGDHYLPS-TYAJBCFHSA-N 464.945 6.545 50 10 JKGE COc1ccc(C(C)C)cc1[C@@H](Br)c1cc(I)sn1 2139061999 BNURSAGXFBSFMQ-CQSZACIVSA-N 452.155 5.364 50 10 JKGE Cc1cc(Br)c(C)c([C@@H](Br)C23CC(C)(CO2)C3)c1Br 2140280076 KMVFONSYKPAVNZ-WLYUNCDWSA-N 453.012 5.834 50 10 JKGE Fc1ccc([C@@H](Cl)c2ccc(Br)cc2I)c(F)c1Cl 2142291778 OGTRRSOPHNHRBE-NSHDSACASA-N 477.901 6.314 50 10 JKGE CC1(C)C[C@H](Br)CCN(Cc2ccc(I)c(Cl)c2)C1 2142942659 FULRCAPPTFPHCF-GFCCVEGCSA-N 456.593 5.330 50 10 JKGE Fc1ccc(C[C@H](CBr)Cc2ccc(Br)cc2Br)cc1 2148683545 XESUSELDASJZIG-LBPRGKRZSA-N 464.998 6.147 50 10 JKGE COc1cc(Cl)c([C@H](Cl)c2c(Br)cccc2Br)cc1Cl 2150493887 NRLVFYCDYMJQQP-AWEZNQCLSA-N 459.392 6.855 50 10 JKGE BrCc1ccc(N2CCC[C@@]3(CN(Cc4ccccc4)CCO3)C2)c(Br)c1 2151741202 VLWJYPMDJXGBED-JOCHJYFZSA-N 494.271 5.215 50 10 JKGE COCCOc1ccc([C@H](Cl)c2cscc2OCc2ccccc2)cc1Br 2156306651 QBJBANFQDINVDS-NRFANRHFSA-N 467.812 6.443 50 10 JKGE CC[C@H]1CN(C(=O)OCc2ccccc2)[C@@H](CC)CN1CC1(CBr)CCCCCC1 2162987632 OBTQEFMMODUTTR-GOTSBHOMSA-N 479.503 6.234 50 10 JKGE CC(C)c1ccc([C@@H](Br)c2cc(I)sn2)c(C(C)C)c1 2176540311 URQKUTCCITZDPE-MRXNPFEDSA-N 464.210 6.479 50 10 JKGE FC1(F)C[C@@H](n2c(CCl)nc3ccc(Br)cc32)CN(Cc2ccccc2)C1 2184260496 LVTPQARMOGALLA-MRXNPFEDSA-N 454.746 5.620 50 10 JKGE Cc1cc(Br)c(C)c([C@@H](Br)CCC2CCCCC2)c1Br 2201073889 OXLLUNMGGWCDCF-AWEZNQCLSA-N 467.083 7.625 50 10 JKGE Cc1cc(Br)c(C)c([C@@H](Br)C2CC(C(C)(C)C)C2)c1Br 2201074594 BHSYFEZAUBZJBU-PPUFBPAQSA-N 467.083 7.337 50 10 JKGE Cc1ccc(Br)c([C@H](Cl)c2c(C)c(Br)cc(C)c2Br)c1 2201075395 CKLXMUBKXWJAOT-INIZCTEOSA-N 481.453 7.228 50 10 JKGE FC(F)Oc1ccc([C@H](Br)c2ccc(Br)cc2Br)cc1 2203689550 YPQLWDZWDRMNFW-ZDUSSCGKSA-N 470.933 6.297 50 10 JKGE Brc1cc([C@@H](Br)c2ccc(-c3ccccc3)s2)c(Br)s1 2206123071 BHSXASJXXNUKSN-CQSZACIVSA-N 493.083 7.486 50 10 JKGE Clc1cc(C[C@@H]2CCCCCCCC[C@@H]2Br)ccc1I 2208042075 CJCUSANFCQVZRG-GJZGRUSLSA-N 469.632 7.001 50 10 JKGE Cc1ccc(I)c([C@@H](Br)c2sc(Br)cc2C)c1 2217421187 RADDMUYZVSIXIR-GFCCVEGCSA-N 486.010 6.216 50 10 JKGE Cl[C@@H](Cc1sc(Br)c(Br)c1Br)CC1CCCCC1 2222469939 DBWSNPAFQANCJC-SECBINFHSA-N 479.503 7.156 50 10 JKGE CCC[C@H](C(C)C)[C@H](Br)c1c(Br)cc(Cl)c(Cl)c1Cl 2224316844 IDSTUSHAGPRKNL-PELKAZGASA-N 451.457 7.918 50 10 JKGE Clc1cc(Br)ccc1C[C@H](Cl)c1c(Cl)sc(Br)c1Cl 2229147655 MRSDSWWZLSRRNF-QMMMGPOBSA-N 483.867 7.756 50 10 JKGE FC1(F)[C@@H]2CC[C@H]([C@H](Br)c3c(Br)cc(Cl)c(Cl)c3Cl)[C@@H]21 2232513341 QJXFKLAIOCJLHD-NJRKRBMHSA-N 469.378 7.137 50 10 JKGE CC[C@H](C[C@H](Br)c1c(Br)cc(C)c(Br)c1C)C(C)(C)C 2235609932 DCOUQVLXLGZKMH-OCCSQVGLSA-N 469.099 7.727 50 10 JKGE Cc1sc([C@@H](Br)c2cc(I)cc3c2OCC3)c(C)c1C 2236837377 IWLRXVLBSRJDJQ-AWEZNQCLSA-N 463.178 5.697 50 10 JKGE Clc1sc(Br)c(Cl)c1[C@H](Cl)c1scc(Br)c1Cl 2246464382 BKJBCUCDPVJAFG-YFKPBYRVSA-N 475.869 7.623 50 10 JKGE Cc1cc([C@H](Br)c2ccc(Cl)c(I)c2)sc1Cl 2248217171 XRIIHLGMPSHQDF-LLVKDONJSA-N 461.977 6.452 50 10 JKGE Cl[C@@H](C[C@@H]1CCCC12CC2)c1c(Br)sc(Br)c1Br 2255252458 ADUDYWOVOFYMIN-YUMQZZPRSA-N 477.487 7.286 50 10 JKGE CCc1cc([C@@H](Br)c2cccc(Br)c2C)sc1Br 2255990089 YFPMTNFADCJTLG-ZDUSSCGKSA-N 453.037 6.628 50 10 JKGE Brc1scc([C@H](Br)c2ccc(C3CCC3)s2)c1Br 2259362730 AJYMEHYTIWHLNJ-NSHDSACASA-N 471.077 7.086 50 10 JKGE C[C@@]1([C@H](Br)c2c(F)cc(Br)c(F)c2Br)CC1(F)F 2260014213 OPYGLMIBTHAFNA-ZJUUUORDSA-N 454.881 5.971 50 10 JKGE Brc1cccc([C@@H](Br)c2ccc(C3CCC3)s2)c1Br 2271974431 YYSOYGLDQYTTKD-OAHLLOKOSA-N 465.048 7.025 50 10 JKGE Cc1c(Br)sc([C@H](Br)[C@@]23CC[C@@](CF)(C2)OC3)c1Br 2274671893 VAKDPXLUEVPSDJ-DRZSPHRISA-N 477.031 5.926 50 10 JKGE Brc1cc(Br)cc(C[C@H](Br)C2C[C@@H]3CC[C@H](C2)O3)c1 2277954737 YPEPCBKSXOIFCK-ZRLZJUFWSA-N 453.012 5.475 50 10 JKGE FC1(F)C[C@]12CC[C@H]([C@@H](Br)Cc1cc(Br)cc(Br)c1)C2 2295329463 IUDTZAZHAADALR-LEWSCRJBSA-N 472.993 6.343 50 10 JKGE Brc1cc(Br)cc(C[C@@H](Br)C2(c3ccccc3)CC2)c1 2295338645 ZLSVXZUFQVLBLT-MRXNPFEDSA-N 459.019 6.249 50 10 JKGE CCCOc1ccc(C=C(NC(=O)c2ccccc2)C(=O)NN=C(CC)c2ccccc2)cc1 2296734165 HTUOJGYZVZTMPW-UHFFFAOYSA-N 455.558 5.177 50 10 JKGE COC(=O)C(=C(F)SC(C#N)=C1NC2(CCCCC2)Cc2cc(C)c(C)cc21)C(F)(F)F 2297463894 KJEFTFOQOHTHAO-UHFFFAOYSA-N 468.516 5.994 50 10 JKGE Cc1ccc(C)c(NC(=O)C(C#N)=Cc2cn(Cc3ccc(Cl)c(Cl)c3)c3ccccc23)c1 2297561961 KDKYRAFQMBZVCM-UHFFFAOYSA-N 474.391 7.159 50 10 JKGE BrCc1c(Br)cccc1OCc1sccc1I 2301071864 RRAYOHKXGYMFCI-UHFFFAOYSA-N 487.982 5.589 50 10 JKGE Brc1cc(OCc2ccccc2)ccc1[C@@H](Br)[C@H]1O[C@H]2CC[C@H]1C2 2307420582 NMKIEJCEMZCMLZ-UQOODKLHSA-N 452.186 6.032 50 10 JKGE C=CCOc1c(I)cc(C=C(C#N)C(=O)Nc2ccc(C)cc2)cc1OCC 2313518461 DVDCLITUMKALOU-UHFFFAOYSA-N 488.325 5.109 50 10 JKGE CCOc1cc(C=C(C#N)C(=O)N(C)C)c(Br)cc1OCc1ccc(Cl)cc1Cl 2313567803 LDSHBUXIRUDUCO-UHFFFAOYSA-N 498.204 5.729 50 10 JKGE CCc1ccccc1NC(=O)C(C#N)=Cc1cc(Cl)ccc1OCc1ccc(Br)cc1 2313676891 UMUKZNAEWZXPDK-UHFFFAOYSA-N 495.804 6.790 50 10 JKGE CCOc1ccc(NC(=O)C(C#N)=Cc2ccccc2OCc2ccc(Br)cc2)cc1 2313730196 DAXPPTBNBNNJCC-UHFFFAOYSA-N 477.358 5.972 50 10 JKGE Cc1ccc(C=CC(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@H]3c2ccc(C(C)C)cc2)cc1 2314634270 UHOPRBSVPIRZSG-NDEPHWFRSA-N 450.538 5.955 50 10 JKGE CCCOc1ccccc1C=C(C#N)C(=O)Nc1sc(C)c(-c2ccccc2)c1C(=O)OCC 2314773942 KIDAVJSHYWVLBF-UHFFFAOYSA-N 474.582 6.235 50 10 JKGE COC1(C[C@@H](Br)c2c(Cl)cc(Br)c(F)c2Br)CC1 2315440419 SLADUVISHFMAJQ-SSDOTTSWSA-N 465.382 6.009 50 10 JKGE Clc1cc(Br)c(COc2c(Br)cccc2CBr)s1 2322462555 ICAZHWVMNFTTND-UHFFFAOYSA-N 475.427 6.400 50 10 JKGE COc1cccc(-c2csc(C(C#N)=C(O)[C@@H](CCSC)N3C(=O)c4ccccc4C3=O)n2)c1 2331249097 NQBAGTFRMMFGEG-OAQYLSRUSA-N 491.594 5.029 50 10 JKGE CCOc1ccc(OCC)c(-c2csc(C(C#N)=C(O)[C@@H]3CC(=O)N(Cc4ccccc4)C3)n2)c1 2331376478 IGEATFUKNMONEV-LJQANCHMSA-N 489.597 5.449 50 10 JKGE COc1c(C)cc(Cl)cc1-c1csc(C(C#N)=C(O)C(c2ccccc2)c2ccccc2)n1 2331391841 MGUZPAJJBZGADH-UHFFFAOYSA-N 472.997 7.405 50 10 JKGE CCCOc1c(C=C(C#N)c2nc(-c3cc(Cl)cc(C)c3OC)cs2)cccc1OC 2331474505 MZFXUMRRAUINTL-UHFFFAOYSA-N 454.979 6.642 50 10 JKGE Brc1cc(Br)cc(CO[C@H]2CCCCCC[C@@H]2Br)c1 2337099140 UURYYGQNEAYORO-GJZGRUSLSA-N 455.028 6.215 50 10 JKGE Cc1csc([C@@H](Cl)c2c(Cl)cc(Br)c(F)c2Br)c1Cl 2337099353 VYQOLSYRXPWRTO-JTQLQIEISA-N 467.412 7.356 50 10 JKGE Brc1cc(CN2C[C@H]3[C@@H](Br)CCC[C@H]3C2)ccc1I 2349834252 JQQWSPXAKLLHPF-XQQFMLRXSA-N 499.028 5.049 50 10 JKGE C[C@@H]1CCC[C@@](CCl)(NCc2ccc(I)c(Br)c2)C1 2349846146 VSEVBJGXVHTZCY-IAQYHMDHSA-N 456.593 5.331 50 10 JKGE Cc1cc(Br)c(C)c([C@H](Br)C[C@H]2CCC[C@@H]3C[C@@H]32)c1Br 2357917040 QVIPXWWKRFLZBJ-GUIRCDHDSA-N 465.067 7.091 50 10 JKGE F[C@@]12CCC[C@@]1(CBr)CN(Cc1ccc(Cl)cc1I)C2 2366701487 JBVXWBLBSYOZNM-HUUCEWRRSA-N 472.567 5.034 50 10 JKGE CCOc1cc(/C=C(\C#N)c2ccc(C(=O)O)cc2)cc(Cl)c1OCc1ccc(F)cc1 2884116 XBXIQFYKQFXOET-RGVLZGJSSA-N 451.881 6.219 50 10 JKGE CCn1c2ccccc2c2cc(/C=N/NC(=O)COc3ccc(Br)cc3C)ccc21 12493503 KQXMQJYLKJQDBT-VULFUBBASA-N 464.363 5.414 50 10 JKGE CCSc1sccc1[C@H]1C(C#N)=C(N)N(c2cc([N+](=O)[O-])ccc2Cl)C2=C1C(=O)CCC2 27550477 WCSQCEKDCOAAOE-IBGZPJMESA-N 487.006 5.726 50 10 JKGE N#C/C(=C\c1cn(-c2ccccc2)nc1-c1ccccc1)c1nc(-c2cc3ccccc3oc2=O)cs1 35519321 SQKGFQPYHPVQQD-PXLXIMEGSA-N 498.567 6.833 50 10 JKGE CC(C)c1ccc(O[C@H](C)C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@@H]3c2cccc([N+](=O)[O-])c2)cc1 38654168 IOUBGIXQSCVUJJ-WGDIFIGCSA-N 499.523 5.309 50 10 JKGE Cc1cccc(C)c1OCC(=O)Oc1ccc2c(c1)OC(N)=C(C#N)[C@H]2c1ccc(Cl)c(Cl)c1 38655869 TWAQRKADUTYZMR-DEOSSOPVSA-N 495.362 5.813 50 10 JKGE CCCCOc1ccc(/C=N/NC(=O)CSc2nc(-c3ccc(Cl)cc3)cs2)cc1 40924727 MOIJMZJLNCTPME-ZMOGYAJESA-N 460.024 5.885 50 10 JKGE O=C(CC[C@H](O)c1ccccc1)N/N=C\c1ccc(OCc2ccc(F)cc2)c(Br)c1 58887639 YKBYJLSWGDAPRL-CHVMBPBASA-N 485.353 5.131 50 10 JKGE CCOc1ccc([C@@H](O)CCC(=O)N/N=C\c2ccc(-c3cccc(Br)c3)o2)cc1 58894749 KDEQHSCUPOFPCO-BABSMXRMSA-N 471.351 5.072 50 10 JKGE CC[C@H](C)c1ccccc1OCC(=O)NNC(=O)C(C)(C)CCCOc1cc(C)ccc1C 66201382 ZWEMLXDALUIWQR-FQEVSTJZSA-N 454.611 5.229 50 10 JKGE Cc1ccc(Br)cc1-n1c(CCCl)nc2cc(I)ccc21 97354176 FMSWZVPHFVXSRB-UHFFFAOYSA-N 475.555 5.482 50 10 JKGE CCCCCCN1C(=O)C(C#N)=C(C)/C(=C\c2cn(-c3ccccc3)nc2-c2cccc(OC)c2)C1=O 101333623 GTYXEIWUQJALMS-NLRVBDNBSA-N 494.595 5.720 50 10 JKGE Clc1ccc(Cl)c([C@H](Br)c2cc(Br)sc2Br)c1 109869966 DUDBSYJBKFWMTI-JTQLQIEISA-N 479.846 7.064 50 10 JKGE CCc1ccc([C@H](Br)c2cc(Br)c(Br)s2)cc1CC 128164318 WFEADGGOKXJIOX-AWEZNQCLSA-N 467.064 6.882 50 10 JKGE COc1ccc(Br)cc1[C@H](Br)c1cccc(F)c1Br 156089530 DSKZFTKZPQQVBN-CYBMUJFWSA-N 452.943 5.844 50 10 JKGE COc1cccc(C(=O)N/N=C/c2ccc(OCc3ccc(Cl)cc3Cl)c(OC)c2)c1 169878431 JANOKWODSHTESO-LGJNPRDNSA-N 459.329 5.354 50 10 JKGE CCCOc1ccc([C@@H](Cl)c2cc(Br)ccc2Cl)cc1Br 228999443 YJEVHBARXGAOQF-MRXNPFEDSA-N 453.001 6.982 50 10 JKGE CC1(C)[C@H]2CC[C@@]1(C)[C@@H](O[C@@H](CI)c1cccc(Br)c1)C2 231318606 LUVGKLLGYGQOHL-MBGYTDRXSA-N 463.197 6.157 50 10 JKGE Clc1cc([C@@H](Br)c2ccc(I)c(Cl)c2)c(Cl)s1 232343438 KCVSCPCDJMCMJF-JTQLQIEISA-N 482.395 6.797 50 10 JKGE CCOc1ccc([C@@H](Cl)c2cccc(C)c2I)cc1Br 233798401 JVMRHHMGONAZKB-OAHLLOKOSA-N 465.556 6.089 50 10 JKGE Clc1ccc(I)c([C@H](Br)c2ccc(Br)s2)c1 236069434 QFKPGLWMENTLDT-NSHDSACASA-N 492.401 6.253 50 10 JKGE CCC(=NNC(=O)c1cc(-c2ccccc2)nc2c(Cl)cccc12)c1ccc(C(C)C)cc1 254352207 ZLESBWUYYGWFJE-UHFFFAOYSA-N 455.989 7.223 50 10 JKGE O=C(CSCc1ccc(Cl)cc1)NN=Cc1ccc(SCC(=O)Nc2ccccc2)o1 254387121 SICQFUACEHVZDY-UHFFFAOYSA-N 474.007 5.047 50 10 JKGE COc1cc(C=NNC(=O)c2cc3c(s2)CC[C@H](C)C3)ccc1OC(=O)c1ccccc1F 254556804 PEKRRHZBMQNKLH-HNNXBMFYSA-N 466.534 5.004 50 10 JKGE C[C@H]1C[C@H](n2c(CCl)nc3cc(I)ccc32)CCN1Cc1ccccc1 379586161 ISYFHRWFJUWWCR-MAUKXSAKSA-N 479.793 5.605 50 10 JKGE CC(C)(C)CN(CCBr)C(=O)c1cc(Br)c(Br)s1 691062526 XFQGRLGCVHOIGY-UHFFFAOYSA-N 462.045 5.156 50 10 JKGE COc1cccc(NC(=O)[C@@H](c2cccs2)N(C(=O)CCl)c2cccc(C(F)(F)F)c2)c1 725240317 YSCWJJMFCSBZBD-HXUWFJFHSA-N 482.911 5.727 50 10 JKGE O=C(OCC1c2ccccc2-c2ccccc21)N1CCOc2c(F)cc(CBr)cc2C1 725258862 AJFFHCACSXBDND-UHFFFAOYSA-N 482.349 5.864 50 10 JKGE C=CCOc1c(Cl)cc(C=NNC(=O)c2cc3cc(Br)ccc3o2)cc1Cl 1084020824 KFHJXVXLIKHBSU-UHFFFAOYSA-N 468.134 5.831 50 10 JKGE COc1ccc(C(C)=NNC(=O)c2ccc(CN3CCC(Cc4ccccc4)CC3)cc2)cc1 1084063370 IMJQSVXQYSJLBB-UHFFFAOYSA-N 455.602 5.304 50 10 JKGE O=C(CSCc1ccccc1)NN=C1C(=O)N(Cc2c(Cl)cccc2Cl)c2ccccc21 1084221576 WYBZUZXMZCVHHT-UHFFFAOYSA-N 484.408 5.294 50 10 JKGE COc1cc(C=NNC(=O)COc2ccc(C(C)(C)CC(C)(C)C)cc2)ccc1OC(C)C 1772753753 HFVXNJXPGSNELU-UHFFFAOYSA-N 454.611 5.725 50 10 JKGE N#CC1=C(N)Oc2c(c(-c3ccccc3)nn2-c2ccccn2)[C@@H]1c1c(Cl)cccc1Cl 1865685391 IDZWZYNVLWKOEU-IBGZPJMESA-N 460.324 5.459 50 10 JKGE CCCCCOc1ccc([C@H]2C(C#N)=C(N)Oc3c2c(CCC)nn3-c2ccc(Cl)cc2)cc1 1865690616 XAGSGZUEFNGRIX-DEOSSOPVSA-N 477.008 6.265 50 10 JKGE CCCOc1ccc([C@H]2C(C#N)=C(N)Oc3c2c(CCC)nn3Cc2c(F)cccc2Cl)cc1 1865694683 ZEKARBQKYYXBDH-QHCPKHFHSA-N 480.971 5.683 50 10 JKGE COc1ccc(-c2nn(Cc3ccc(Cl)c(Cl)c3)c3c2[C@H](c2ccco2)C(C#N)=C(N)O3)cc1 1865698582 XYINXZDEWVKMHY-NRFANRHFSA-N 493.350 5.725 50 10 JKGE CCCc1nn(-c2ccc(Cl)cc2)c2c1[C@@H](c1ccc(Cl)c([N+](=O)[O-])c1)C(C#N)=C(N)O2 1865705916 JIFVQOUTUZGSBU-IBGZPJMESA-N 470.316 5.258 50 10 JKGE COc1ccc(-c2nn(Cc3ccc(C)cc3)c3c2[C@@H](c2cccc(OC)c2)C(C#N)=C(N)O3)cc1 1865711519 ALNMIQIGXRJBOK-VWLOTQADSA-N 478.552 5.142 50 10 JKGE CCCN(CCCN(C)C)c1cc(Nc2ccc(SC#N)cc2)nc(-c2ccc(F)cc2)n1 1868456439 OQOZMOYIKSPUHP-UHFFFAOYSA-N 464.614 5.768 50 10 JKGE CCn1cc(/C=C2\Oc3c(ccc(OCc4cccc(CCl)c4)c3C)C2=O)c2cc(OC)ccc21 1871437293 QESNICJYKJFZBI-WKIKZPBSSA-N 487.983 6.912 50 10 JKGE CCOC(=O)c1ccc(N2C[C@@H](/C(O)=C(\C#N)c3nc(-c4ccc(Cl)cc4)cs3)CC2=O)cc1 1872748132 JWYKMPNLJXFUAT-DVCONVQISA-N 493.972 5.486 50 10 JKGE Cc1ccc(-c2csc(/C(C#N)=C(\O)c3ccc4c(c3)C(=O)N(C3CCCCC3)C4=O)n2)cc1 1872749407 PTXQUTCGSQIUHI-GYHWCHFESA-N 469.566 5.997 50 10 JKGE N#C/C(=C(/O)c1ccccc1C(=O)c1ccccc1)c1nc(-c2cccc3ccccc23)cs1 1872752669 NJOZUINGSDMABG-FVDSYPCUSA-N 458.542 7.144 50 10 JKGE CCCCCCCOc1ccc(-c2csc(/C(C#N)=C(O)/C=C/c3ccccc3Cl)n2)cc1 1872753408 VNHOTBPWTDKDJT-QPURXPQQSA-N 479.045 8.319 50 10 JKGE CCc1cccc(C)c1N1C[C@H](/C(O)=C(\C#N)c2nc(-c3ccc(OC)c(C)c3C)cs2)CC1=O 1872753716 JRPVEXKNGYBHSK-OLUGBCFNSA-N 487.625 6.152 50 10 JKGE CCc1cccc(C)c1N1C[C@H](/C(O)=C(\C#N)c2nc(-c3cc(Cl)ccc3Cl)cs2)CC1=O 1872758694 LYMIXRYLDRSAMI-PWEHGMCJSA-N 498.435 6.834 50 10 JKGE COc1cc(/C=C(\C#N)c2nc(-c3ccc(F)cc3)cs2)cc(Br)c1OC(C)C 1872791211 BRTOQPYUZMSYHY-LZYBPNLTSA-N 473.367 6.572 50 10 JKGE N#C/C(=C\c1ccccc1OCc1ccc(Cl)cc1)c1nc(-c2ccc(F)c(F)c2)cs1 1872793042 FFWCLLFUXQWTFU-YBFXNURJSA-N 464.924 7.385 50 10 JKGE CC[C@H](C)N1C(=O)c2ccc(/C(O)=C(\C#N)c3nc(-c4cc(C)ccc4OC)cs3)cc2C1=O 1873921006 PSPJIKPVGYXZHG-DCBSDEPNSA-N 473.554 5.472 50 10 JKGE O=C(Cc1ccccc1Br)N(Cc1ccccc1)[C@H](CBr)C1CC1 1915265196 OOBZMZCXCMMCTK-LJQANCHMSA-N 451.202 5.194 50 10 JKGE O=C(c1cccc(OCc2ccccc2)c1)N(Cc1ccccc1)C1(CBr)CCC1 1915749410 JXOLUCOPSCTZQG-UHFFFAOYSA-N 464.403 6.226 50 10 JKGE Cc1ccc(C)c([C@@H](Br)c2sc(Br)c(C)c2Br)c1 1922946595 SWVRPADZQCSTCR-GFCCVEGCSA-N 453.037 6.683 50 10 JKGE COC1(C(F)(F)[C@H](Cl)c2c(Br)sc(Br)c2Cl)CCC1 1923066870 WCUISKRAUMAXPW-SSDOTTSWSA-N 458.977 6.411 50 10 JKGE CCCC1([C@H](Br)c2c(Br)sc(Br)c2Br)CC1 1924580653 UDENIVMFQNPEND-MRVPVSSYSA-N 495.900 7.052 50 10 JKGE Cl[C@@H](CC1CCOCC1)c1c(Br)sc(Br)c1Br 2003877867 PQTWOUMZUNBJEV-ZETCQYMHSA-N 467.448 6.132 50 10 JKGE Clc1sc([C@@H](Br)Cc2ccncc2Br)cc1Br 2004903369 XCPXZJRTGGFMPK-ZETCQYMHSA-N 460.416 6.000 50 10 JKGE COc1sc([C@@H](Cl)c2cc(Br)ccc2Br)cc1Br 2034629251 LTFBIPZNFXGYMW-NSHDSACASA-N 475.427 6.372 50 10 JKGE Cc1sc(C)c(C[C@@H](Br)c2cccc(Br)c2)c1Br 2050563037 ASSCLAWNYWYYOC-CYBMUJFWSA-N 453.037 6.569 50 10 JKGE Cc1c(Br)sc([C@H](Br)[C@H]2C[C@@H]3CC[C@H](C2)O3)c1Br 2061007308 CWLDJYNNHYCAHQ-SDNRWEOFSA-N 459.041 5.975 50 10 JKGE COc1cc(Cl)c([C@H](Br)c2sccc2Br)cc1Br 2082377704 UAGRJMQJQODRTC-NSHDSACASA-N 475.427 6.419 50 10 JKGE Clc1cccc([C@@H](Br)c2ccc(Br)cc2Br)c1Cl 2083340386 UDGPDOGWZYYBNH-LBPRGKRZSA-N 473.817 7.003 50 10 JKGE Clc1c(Br)cccc1CC[C@H](Br)c1ccc(Br)cc1 2113481656 SKZACAAVBGXASW-ZDUSSCGKSA-N 467.426 6.934 50 10 JKGE CC[C@@H](NCCSSCCNC(=O)OC(C)(C)C)c1cc(Br)ccc1O 2125293498 NOXBTZSAPHDUKV-OAHLLOKOSA-N 465.479 5.102 50 10 JKGE CCC[C@H](C(C)C)[C@@H](Br)c1c(C)c(Br)cc(C)c1Br 2136372192 XDLDPQRSGDUCMU-MLGOLLRUSA-N 455.072 7.337 50 10 JKGE Cc1cc(C)c(C)c([C@@H](Br)c2sc(Br)c(C)c2Br)c1 2138304237 CFFSJCKQGBZOIK-CYBMUJFWSA-N 467.064 6.991 50 10 JKGE Cc1c(Br)ccc([C@@H](Cl)c2cc(Cl)ccc2Br)c1Br 2138865028 PWUICDFENMIMQE-CQSZACIVSA-N 487.844 7.264 50 10 JKGE CC[C@H](Br)[C@@H]1CCCCN1Cc1ccc(I)c(Cl)c1 2142951197 XZZCAZJHDMXTAN-WFASDCNBSA-N 456.593 5.473 50 10 JKGE CCOc1ccc([C@H](Cl)c2c(Br)cccc2Br)c(Br)c1 2150493071 ICGMWVQPEWDQAY-HNNXBMFYSA-N 483.425 6.701 50 10 JKGE C[C@H](CBr)[C@H]1CCCCN1C(=O)c1c(Br)cccc1Br 2150495797 YYHZMDVFUFQQPJ-ZWNOBZJWSA-N 468.027 5.237 50 10 JKGE CC[C@](C)(Cn1c(CCl)nc2cc(Br)c(F)cc21)N(C)Cc1ccccc1 2155089816 BRQNQMXQTBFRQS-OAQYLSRUSA-N 452.799 5.977 50 10 JKGE CC(C)(C)OC(=O)NCCCN(CC(F)(F)F)CC1(CBr)CCCCCC1 2163063517 QFUGXIGPWYOPNH-UHFFFAOYSA-N 459.391 5.501 50 10 JKGE BrC[C@]12CCC[C@@H]1N(Cc1ccc(Br)cc1Br)CCC2 2165238489 GVTUVDNCJJSVSG-JKSUJKDBSA-N 466.055 5.741 50 10 JKGE Fc1cc(Br)cc([C@H](Br)c2c(Br)cc(F)c(Cl)c2F)c1 2201619558 ROWHXZVVBUPTGA-NSHDSACASA-N 493.342 6.767 50 10 JKGE FC(F)(F)C1([C@@H](Br)c2ccc(Br)cc2Br)CCOCC1 2203684901 OVEBWSZZPHHMQD-NSHDSACASA-N 480.944 6.007 50 10 JKGE COc1c(C)cc(Br)cc1[C@H](Br)c1c(F)cccc1Br 2206566544 JIUXDADUYCJUTA-AWEZNQCLSA-N 466.970 6.152 50 10 JKGE Cc1cc(Br)c([C@H](Br)[C@H]2C[C@@H]2Br)c(C)c1Br 2211162248 SVYVVKBCRMLQTG-YVZVNANGSA-N 475.844 6.048 50 10 JKGE Cc1c(Br)csc1[C@H](Cl)c1cc(Br)ccc1Br 2213770967 YPTLDAUGCLTFPS-LLVKDONJSA-N 459.428 6.672 50 10 JKGE CCOCc1cc(Br)c([C@@H](Br)c2ccc(Br)o2)s1 2217984567 ZNGSWNQHZRIJKN-NSHDSACASA-N 458.997 5.887 50 10 JKGE Cc1nn(C)c(Br)c1[C@@H](Cl)c1cc(Br)c(Br)cc1F 2225615414 HCBVOZYQNAORNF-NSHDSACASA-N 475.381 5.483 50 10 JKGE COC[C@@H]1CC[C@@H]([C@@H](Br)c2cc(Br)c(Br)cc2F)C1 2225619465 JKKUIHBNHVKAOM-RFXMVYNHSA-N 458.991 5.849 50 10 JKGE Clc1ccc(I)c(CN2CCC[C@H](CCCBr)C2)c1 2225810198 BZGPABRDSPICMA-LBPRGKRZSA-N 456.593 5.332 50 10 JKGE Cc1cc(Br)c([C@@H](Br)C[C@@H](C)C(C)(C)C)c(C)c1Br 2227350382 WQVOMTSVZAUBMB-MFKMUULPSA-N 455.072 7.337 50 10 JKGE Cc1sc([C@H](Br)c2ccc(F)c(Br)c2F)c(Br)c1C 2229322995 NDLXVLPEIIODRJ-SNVBAGLBSA-N 474.990 6.652 50 10 JKGE C[C@H](CCn1c(CCCl)nc2c(F)cc(Br)cc21)N(C)Cc1ccccc1 2232924322 UJHVTYQIQWMRBD-OAHLLOKOSA-N 452.799 5.630 50 10 JKGE COC1(C(F)(F)[C@@H](Br)c2cc(Br)c(Br)cc2F)CCC1 2233981782 NDXVGLDTLXIYCI-NSHDSACASA-N 480.944 5.991 50 10 JKGE Cc1cc(Br)c([C@@H](Br)CC2CC3(CCC3)C2)c(C)c1Br 2235604955 IBKJSWFHKYNPEP-AWEZNQCLSA-N 465.067 7.235 50 10 JKGE Cc1ccc(I)c([C@@H](Cl)c2cc3c(cc2Br)OCC3)c1 2240996244 MGAGUBURKBVVPC-INIZCTEOSA-N 463.540 5.625 50 10 JKGE Cc1sc(Br)cc1[C@H](Br)c1cccc(Cl)c1Br 2248089871 DFUHGXRTHYJFPK-LLVKDONJSA-N 459.428 6.719 50 10 JKGE COc1c([C@@H](Br)c2sc(Br)cc2Br)csc1C 2250057097 KEWSKJRTWQZKQQ-SECBINFHSA-N 461.038 6.136 50 10 JKGE Clc1c(Br)sc(Br)c1[C@H](Br)[C@@]12CCC[C@@H]1CC2 2251091020 BPIQROOFWXBCJG-PUQNFTFYSA-N 463.460 6.943 50 10 JKGE Cl[C@@H](Cc1cc(Br)cc(Br)c1)c1sncc1Br 2252839230 NSRWLSJUDASRGO-JTQLQIEISA-N 460.416 5.953 50 10 JKGE CCCCc1ccc([C@H](Br)c2cc(I)ccc2F)s1 2264370882 CSQUZFUTPNMCGV-OAHLLOKOSA-N 453.158 6.319 50 10 JKGE Fc1cc(Cl)c(Br)cc1[C@@H](Cl)c1ccc(Cl)c(I)c1 2268276063 UTSZVCOBTYAJPW-ZDUSSCGKSA-N 494.356 6.828 50 10 JKGE CC[C@@]1([C@H](Br)c2c(F)cc(Br)c(F)c2Br)CCCO1 2272747873 OXJVTCJLKKZWDU-OLZOCXBDSA-N 462.954 5.885 50 10 JKGE COc1cc(Cl)c(Cl)cc1[C@@H](Br)c1c(Cl)cccc1Br 2279056347 MHNOMWOFFFVXQN-CQSZACIVSA-N 459.392 6.902 50 10 JKGE COc1ccc([C@@H](Cl)c2cc(Br)sc2Br)c(Cl)c1OC 2283448557 GLOOLVSTMSXOBQ-SNVBAGLBSA-N 461.002 6.272 50 10 JKGE COc1c([C@@H](Br)c2cc(C)sc2Br)cc(Br)c(C)c1C 2284520460 DGUWAJBFWDYQFA-CYBMUJFWSA-N 483.063 6.691 50 10 JKGE BrCc1cc(Br)c(OC[C@H]2COC3(CCC3)C2)c(Br)c1 2284814796 WEUNTWYQOMASNE-NSHDSACASA-N 469.011 5.445 50 10 JKGE C=CC[C@@]1(CBr)CCN(C(=O)c2cccc(Br)c2Br)C1 2287754999 WETQBYIRRIGNSN-HNNXBMFYSA-N 466.011 5.015 50 10 JKGE CCCN[C@@H](c1c(F)cc(Br)c(F)c1Br)[C@H]1C[C@@H](Br)C1 2288375758 HASLYFJVIHGUEN-CYVIZDSUSA-N 475.997 5.704 50 10 JKGE COc1cccc(Cn2cc(C=C(C#N)C(=O)Nc3ccccc3[N+](=O)[O-])c3ccccc32)c1 2295422577 COGFJPUKWPAMBN-UHFFFAOYSA-N 452.470 5.152 50 10 JKGE CCc1ccc(NC(=O)C(C#N)=C2S[C@H](Cc3ccccc3)C(=O)N2c2ccccc2)cc1 2296048067 WLNUNOWEHUOZKF-XMMPIXPASA-N 453.567 5.314 50 10 JKGE CCOC(=O)c1c(NC(=O)C(C#N)=Cc2ccc(-c3ccc(C)cc3)o2)sc2c1CCCC2 2296495442 CVPBPEFGJYPECO-UHFFFAOYSA-N 460.555 5.918 50 10 JKGE C[C@@H]1C[C@@H]1[C@@H]1C[C@@H]1[C@@H](Br)c1ccc(OCc2ccccc2)cc1Br 2299503207 CYAQWKCMTGEPTJ-DWKCJSFCSA-N 450.214 6.756 50 10 JKGE Brc1ccc(OCc2ccccc2)c([C@@H](Br)[C@@]23CCC[C@@H]2CC3)c1 2299530111 IQSBMGVCDHYTLN-MAODMQOUSA-N 450.214 7.044 50 10 JKGE COCc1cc(Br)c([C@@H](Br)c2cnsc2Br)s1 2300305365 TZEDXPHNQYRMHY-QMMMGPOBSA-N 462.026 5.360 50 10 JKGE Cc1cc(Br)sc1[C@H](Cl)c1ccc(Cl)cc1I 2301797303 VRMFNVJNDNGBKN-LLVKDONJSA-N 461.977 6.405 50 10 JKGE CCOC(=O)c1ccc(-c2ccc(C=C(C#N)S(=O)(=O)c3ccc(Br)cc3)o2)cc1 2314435441 DSXFEINWSLRCAS-UHFFFAOYSA-N 486.343 5.224 50 10 JKGE Brc1ccc(OCc2ccccc2)c([C@@H](Br)C[C@@H]2CCCC23CC3)c1 2314443825 IMDBELSGMGEOFJ-PXNSSMCTSA-N 464.241 7.435 50 10 JKGE FC(F)(F)CC1([C@H](Br)c2ccc(OCc3ccccc3)cc2Br)CC1 2314450083 VXUQVXJMQIEARA-QGZVFWFLSA-N 478.146 7.197 50 10 JKGE Brc1ccc(OCc2ccccc2)c([C@H](Br)C2CC[C@H]3C[C@@H]3CC2)c1 2314454714 ILMWTCFVIYAZGQ-NPPFBWRTSA-N 464.241 7.290 50 10 JKGE Cc1cc(Cl)ccc1[C@H](Br)c1cc(Br)ccc1OCc1ccccc1 2314486152 DFXIQYJDNSTBOP-NRFANRHFSA-N 480.627 7.474 50 10 JKGE CCOC(=O)COc1ccc(C=C(C#N)c2nc(-c3ccc(Cl)cc3)cs2)cc1OC 2314488104 IXRCCRRVXJNCPH-UHFFFAOYSA-N 454.935 5.478 50 10 JKGE Cc1ccc(C[C@H]2SC(=C(C#N)C(=O)Nc3ccc(C)cc3)N(c3ccc(C)c(C)c3)C2=O)cc1 2314592114 MCPJTMUIAUJWLR-AREMUKBSSA-N 481.621 5.985 50 10 JKGE CCc1ccc(N2C(=O)[C@@H](Cc3cccc(C)c3)SC2=C(C#N)C(=O)Nc2ccccc2C)cc1 2314592162 MUOZBCCPAGJXDN-AREMUKBSSA-N 481.621 5.931 50 10 JKGE BrCc1ccc(CSc2cc(I)ccc2Br)cc1 2316388229 RGAKVGVIYHJMMP-UHFFFAOYSA-N 498.021 6.241 50 10 JKGE COc1c(Br)cc(C)c([C@@H](Cl)C2(Br)CCC2)c1Br 2317401505 ZYNBEWOZQCYTHI-GFCCVEGCSA-N 461.419 6.126 50 10 JKGE Nc1ccc(C(=O)NN=Cc2ccc(-n3nc(-c4ccccc4)cc3-c3ccccc3)cc2)cc1 2318414935 IZERTFHMCNHCTL-UHFFFAOYSA-N 457.537 5.552 50 10 JKGE CC[C@H](NC(=O)C(C#N)=CNc1ccc(Cl)c(C(F)(F)F)c1)c1ccc2c(c1)CCCC2 2318468212 KLMJEEDEYHFEBC-QFIPXVFZSA-N 461.915 6.324 50 10 JKGE COc1cc(C=NNC(=O)c2ccc(-c3ccc(C)c(C)c3)nc2C)ccc1OCc1ccccc1 2321229932 FSLSKKLXWBACIM-UHFFFAOYSA-N 479.580 6.025 50 10 JKGE O=C(NN=C1C(=O)N(Cc2ccccc2Cl)c2ccccc21)c1cccc(C(F)(F)F)c1 2326843788 KDEIWCHOELLTCI-UHFFFAOYSA-N 457.839 5.040 50 10 JKGE CCOC(=O)c1c(-c2ccc(F)cc2)csc1NC(=O)C(C#N)=Cc1ccc(OC)cc1 2329622154 KEIIEOSLOAVHEH-UHFFFAOYSA-N 450.491 5.285 50 10 JKGE COc1cc(C=C(C#N)c2nc3cc(C)ccc3n2C)ccc1OC(=O)c1cccc([N+](=O)[O-])c1 2331018610 VXNGZLSGUQBLPR-UHFFFAOYSA-N 468.469 5.082 50 10 JKGE COc1cccc(-c2csc(C(C#N)=C(O)C=Cc3cc(OC)c(OC)c(OC)c3)n2)c1 2331246641 ILAURDLDONQKHO-UHFFFAOYSA-N 450.516 5.351 50 10 JKGE CCc1cccc(CC)c1N1C[C@H](C(O)=C(C#N)c2nc(-c3ccc(Cl)s3)cs2)CC1=O 2331402059 KFNLLWBOAVXGMG-MRXNPFEDSA-N 484.046 6.496 50 10 JKGE N#CC(=C(O)CN1C(=O)COc2ccc(Cl)cc21)c1nc(-c2ccc(Cl)s2)cs1 2331402300 MJQGDMCZQNKGNA-UHFFFAOYSA-N 464.355 5.397 50 10 JKGE COc1ccc(-c2csc(C(C#N)=C(O)COc3ccc(Cl)c(C)c3)n2)c(OC)c1OC 2331412778 HAZYSYPZRHSMDK-UHFFFAOYSA-N 472.950 5.669 50 10 JKGE COc1cccc(C=C(C#N)c2nc(-c3ccc(C)cc3)cs2)c1OCc1cccc(C)c1 2331445140 LBXGPKREKBQEQC-UHFFFAOYSA-N 452.579 7.079 50 10 JKGE COc1cccc([C@H](Br)c2cc(Br)ccc2OCc2ccccc2)c1C 2336050144 IMJFIVHXTIHJLR-QFIPXVFZSA-N 476.208 6.829 50 10 JKGE Fc1c(Br)cc(Cl)c([C@H](Br)[C@@H]2C[C@H]3C[C@@H]3CO2)c1Br 2337112224 QZVNGQDVTZUNJI-GMVJNNPSSA-N 477.393 5.865 50 10 JKGE Clc1ccc([C@H](CBr)Cc2ccc(Cl)c(I)c2)cc1 2337226436 YQFGNRUXADZNCE-LBPRGKRZSA-N 469.975 6.319 50 10 JKGE CCN(C[C@@](C)(CBr)OCc1ccc(F)c(C)c1Cl)C(=O)OC(C)(C)C 2339304050 XJZQQJLAWNXJHZ-LJQANCHMSA-N 452.792 5.715 50 10 JKGE Cc1cc(Br)c(F)c(Br)c1[C@H](Br)[C@@H]1[C@H]2[C@H]3C[C@@H]1C[C@H]32 2339686654 ZTPKSEPJLWJLNT-PDJLLXCNSA-N 452.987 5.997 50 10 JKGE Fc1ccc(C[C@H](Br)c2ccc(Cl)cc2I)c(F)c1 2340055877 HGYOKAKOHXLCBN-LBPRGKRZSA-N 457.483 5.902 50 10 JKGE Clc1cc(Cl)cc(CC[C@H](Cl)c2cc(Br)sc2Br)c1 2341187840 ICGAGEDFRCCJQU-NSHDSACASA-N 463.449 7.493 50 10 JKGE ClC[C@@]1(Cc2ccc(I)c(Br)c2)CC12CCCCC2 2349865446 QZYOWLKTQKOXBZ-MRXNPFEDSA-N 453.589 6.176 50 10 JKGE Clc1ccc(I)cc1COc1ccnc(Cl)c1CBr 2352254119 SRUYQFBHORPMOC-UHFFFAOYSA-N 472.935 5.467 50 10 JKGE Cc1cc(Br)c([C@@H](Br)[C@@H]2CCC[C@H]2C(F)F)c(C)c1Br 2359499412 XOMOIBPWVIEAOG-RULNRJAQSA-N 475.009 6.946 50 10 JKGE O=C(c1csc(Br)c1Br)N1CCC[C@H](Cl)[C@H]1C(F)(F)F 2370263427 DTUWTFQLIVRXRY-XPUUQOCRSA-N 455.521 5.047 50 10 JKGE Clc1ccc(I)cc1CN1[C@H]2CCCC[C@H]2C[C@@H]1CBr 2380513124 RIRFWYUZEAARKE-PEYYIBSZSA-N 468.604 5.473 50 10 JKGE N#C/C(=C/c1ccc(OCc2ccccc2)cc1)C(=O)Nc1ccc(Br)cc1F 867559 IKMBAPIIEDOXPI-PDGQHHTCSA-N 451.295 5.713 50 10 JKGE COc1cc([C@@H]2C(C#N)=C(N)OC3=C2C(=O)C[C@H](c2ccccc2)C3)ccc1OCc1ccccc1 1010030 QQNMHTHRXCYVLC-RBISFHTESA-N 478.548 5.483 50 10 JKGE COc1ccc(N(C(=O)CCl)[C@@H](C(=O)NC2CCCCC2)c2cccs2)cc1Cl 3034943 KBKXZZVCONLGAX-HXUWFJFHSA-N 455.407 5.172 50 10 JKGE C/C(=N\NC(=O)/C(=C/c1ccc(N(C)C)cc1)NC(=O)c1ccccc1)c1ccc2ccccc2c1 27499167 GZMRGFXQJOCAMO-JJNQJIGTSA-N 476.580 5.217 50 10 JKGE N#C/C(=C/c1ccc(OC(=O)CC(c2ccccc2)c2ccccc2)cc1)c1cccc(Cl)c1 31901459 UUNCZJCFTSTNTF-ITYLOYPMSA-N 463.964 7.532 50 10 JKGE COc1cc(/C=C(\C#N)c2ccc(Cl)cc2)ccc1OC(=O)COc1ccc([N+](=O)[O-])cc1C 33376349 DJVXOVKIARKBGF-XDHOZWIPSA-N 478.888 5.614 50 10 JKGE CCN(CC)CCOC(=O)c1ccc(N/C=C(\C#N)c2nc(-c3ccc4c(c3)OCO4)cs2)cc1 33579797 VBNNAZYCENJPPE-HMMYKYKNSA-N 490.585 5.014 50 10 JKGE N#C/C(=C/c1c(-c2ccccc2)n(-c2ccccc2)c2ccccc12)c1nc2ccccc2s1 34782831 DUBWIRWHBQEEIN-QOCHGBHMSA-N 453.570 7.971 50 10 JKGE O=C(NNC(=O)C(c1ccccc1)c1ccccc1)c1ccc(-c2nc3ccccc3s2)s1 35553801 MAPYVPWHOBRJJI-UHFFFAOYSA-N 469.591 5.618 50 10 JKGE N#CC1=C(N)Oc2cc(OC(=O)c3cccc4ccccc34)ccc2[C@H]1c1ccc([N+](=O)[O-])cc1 38654838 NKGVVULBLBTGEQ-RUZDIDTESA-N 463.449 5.185 50 10 JKGE C[C@H](Oc1ccc(F)cc1)C(=O)Oc1ccc2c(c1)OC(N)=C(C#N)[C@@H]2c1cccc2ccccc12 38657830 QXIDLZGACHSWCX-CBZJRKILSA-N 480.495 5.570 50 10 JKGE C=CCOc1cccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)COc4cccc(Cl)c4)ccc32)c1 38684614 RFWWXWPSPQNEHZ-SANMLTNESA-N 488.927 5.107 50 10 JKGE O=C(NNc1ncnc(Oc2ccc3ccccc3c2)c1[N+](=O)[O-])c1cccc2ccccc12 40586661 WNBRWDIGVRWWQR-UHFFFAOYSA-N 451.442 5.240 50 10 JKGE COc1cccc(C(=O)N/N=C2\CCCc3oc(C(=O)Nc4ccccc4C(F)(F)F)c(C)c32)c1 40822236 MBBMSCRUFAOOKK-NDZAJKAJSA-N 485.462 5.338 50 10 JKGE CCOC(=O)c1c(NC(=O)N/N=C\c2cccc(OCc3ccccc3)c2)sc2c1CC[C@@H](C)C2 40851513 CWSYUZHQYKWPDB-UWSVQNCHSA-N 491.613 5.784 50 10 JKGE N#C/C(=C/c1cn(-c2ccccc2)nc1-c1ccc2c(c1)OCCO2)c1ccc([N+](=O)[O-])cc1 96766525 SNXVPTZFTSRECX-ZHZULCJRSA-N 450.454 5.283 50 10 JKGE CCCCCCOc1ccc([C@H](C(=O)NC2CCCCC2)N(Cc2ccco2)C(=O)CCl)cc1 97915156 WAYIDIBNRLWQHS-AREMUKBSSA-N 489.056 5.996 50 10 JKGE N#C/C(=C(/O)c1ccc(-c2cccc(C(F)(F)F)c2)o1)c1nc(-c2ccc(Cl)cc2)cs1 100989942 UMGMIHAHSWKDMO-FXBPSFAMSA-N 472.875 7.692 50 10 JKGE CCOc1ccc(-c2nn(-c3ccccc3)cc2/C=C2/C(=O)N([C@@H](C)CC)C(=O)C(C#N)=C2C)cc1C 101334261 YOIXBLPEGKUGML-KXWHUPIZSA-N 494.595 5.637 50 10 JKGE CCCCCCCOc1ccc(/C=C2/C(=O)N([C@H](C)c3ccccc3)C(=O)C(C#N)=C2C)cc1 101337905 DDXTUWOUFZCSET-IYWQOLOASA-N 456.586 6.389 50 10 JKGE C/C(=N/NC(=O)c1cc(-c2ccccc2Cl)nc2ccccc12)c1ccc2ccccc2c1O 102977478 CEPSFXQLHWJKEQ-LJUMEUDFSA-N 465.940 6.568 50 10 JKGE Cc1cc(Br)ccc1[C@@H](Cl)c1cc(Br)ccc1Br 109803276 DBEXBDVMTWVLOC-CQSZACIVSA-N 453.399 6.611 50 10 JKGE Brc1ccccc1[C@H](Br)c1cc2c(cc1Br)OCCCO2 109865218 SLJMSPLBUMOBMW-INIZCTEOSA-N 476.990 5.857 50 10 JKGE Fc1cccc(C(CBr)(CBr)Cc2cccc(Br)c2)c1 118877741 MHJPWLABNZIVRS-UHFFFAOYSA-N 464.998 5.859 50 10 JKGE C[C@H]1Cc2cc([C@@H](Br)c3cc(Br)ccc3Br)ccc2O1 161092936 YRSHKBQZLZRPKA-XXFAHNHDSA-N 460.991 6.019 50 10 JKGE COc1cc(C)c(Br)cc1[C@@H](Br)c1cc(C)ccc1Br 161769686 JZXPYWJTKYLCJQ-INIZCTEOSA-N 463.007 6.321 50 10 JKGE Fc1cc(Br)cc(F)c1[C@H](Cl)c1csc2c(Br)cccc12 163488937 ZSZIICAEJWMMNW-CQSZACIVSA-N 452.545 7.033 50 10 JKGE CCOC(=O)c1c(NC(=O)/C(C#N)=C\c2ccc(-c3ccccc3F)o2)sc2c1CC[C@@H](CC)C2 209398883 JGXYOTKCLFRUTC-DXFLKOCDSA-N 492.572 6.384 50 10 JKGE CCSc1ccc(-c2nn(-c3ccccc3)cc2/C=C2\C(=O)N(CC)C(=O)C(C#N)=C2C)cc1 214210397 YHNPHKUOEDSOSG-HAHDFKILSA-N 468.582 5.263 50 10 JKGE Brc1ccc(Br)c([C@@H](Br)[C@H]2[C@@H]3CCc4ccccc4[C@@H]23)c1 227467903 IJGWUIDSAHQXLJ-NKGKWGDASA-N 471.030 6.624 50 10 JKGE C[C@@H]1CCCC[C@H]1NC(=O)[C@H](c1ccccc1Cl)N(Cc1ccc(F)cc1)C(=O)CCl 230275239 HXLLLOCDCJMOMF-VZPUWSDOSA-N 465.396 5.483 50 10 JKGE O=C(NCc1ccc(CBr)cc1)c1ccc(Br)cc1Br 232485993 VUCRPNPKNRYPQY-UHFFFAOYSA-N 461.979 5.037 50 10 JKGE CCCCc1ccc([C@@H](Br)c2ccc(Br)cc2Br)cc1 233039753 GPVTWDWKDFKLHW-QGZVFWFLSA-N 461.035 7.039 50 10 JKGE CCOc1ccc(Br)cc1[C@@H](Br)c1cccc(Br)c1F 233779171 HGGYIHSSIHJUDV-AWEZNQCLSA-N 466.970 6.234 50 10 JKGE CCN(CC)c1ccc(C=NNC(=O)CSc2nc3ccccc3n2Cc2ccccc2)cc1 254382085 VVAADBMAPGSFJO-UHFFFAOYSA-N 471.630 5.173 50 10 JKGE CCn1c2ccccc2c2cc(NC(=O)CC(C)=NNC(=O)c3ccc(C(C)(C)C)cc3)ccc21 254393872 WCTINSGCLUIQTL-UHFFFAOYSA-N 468.601 6.246 50 10 JKGE CCCCCCCCCCOc1ccc(C(=O)NN=Cc2ccc(OC/C=C/Cl)cc2)cc1 254832740 LAVDEMDRGKMXBF-DUQPMNDQSA-N 471.041 7.101 50 10 JKGE Fc1ccc2nc(CCl)n(-c3ccc(I)c(Br)c3)c2c1 312384962 KEUVHUKLPAHDHS-UHFFFAOYSA-N 465.491 5.271 50 10 JKGE C[C@@H]1C[C@@H](n2c(CCCl)nc3cc(I)ccc32)CN1Cc1ccccc1 398006934 QVYUQVFBGBTTSY-CRAIPNDOSA-N 479.793 5.258 50 10 JKGE Fc1cc(Br)c([C@H](Br)c2c(F)cccc2Br)c(F)c1F 398650666 BJDGNPGGOYXDSO-LLVKDONJSA-N 476.887 6.252 50 10 JKGE CC(C)(C)OC(=O)NCCN1CCCO[C@@H](c2cccc(CO[Si](C)(C)C(C)(C)C)c2)C1 616654437 CALNQDNIKJFTDZ-JOCHJYFZSA-N 464.723 5.497 50 10 JKGE C[C@H](Br)[C@H]1CCCCN1C(=O)c1cc(Br)sc1Br 688851033 IREUPXUXSHLXJI-IONNQARKSA-N 460.029 5.051 50 10 JKGE CC(C)(C)OC(=O)N[C@@H](CCC(CCl)=NOCc1ccccc1)C(=O)OCc1ccccc1 694836032 PNNFUEJDTYIUJA-QFIPXVFZSA-N 474.985 5.215 50 10 JKGE CO[C@](C)(COCc1ccccc1)Cn1c([C@@H](C)Cl)nc2ccc(Br)cc21 702782815 FRYBCGYFEGYKEK-VFNWGFHPSA-N 451.792 5.721 50 10 JKGE Fc1ccc(F)c([C@H](Br)c2cc(Br)ccc2Br)c1F 716411757 VVSXEXKAVBLPRZ-GFCCVEGCSA-N 458.897 6.113 50 10 JKGE Cc1c(/C=C(\C#N)C(=O)Nc2cccc(Cl)c2Cl)c2ccccc2n1Cc1ccccc1Cl 1084080810 FSLUUNUYBCQGBT-QGOAFFKASA-N 494.809 7.504 50 10 JKGE O=C(CSCc1ccc(Cl)cc1)NN=Cc1ccc(OCc2ccc([N+](=O)[O-])cc2)cc1 1084520634 BZJYSTHBBBWCNE-UHFFFAOYSA-N 469.950 5.211 50 10 JKGE N#C/C(=C/c1ccc(OCc2ccccc2Cl)cc1)C(=O)Nc1cc([N+](=O)[O-])ccc1Cl 1084558635 YNYPRADHHCIUBI-BOPFTXTBSA-N 468.296 6.026 50 10 JKGE CCOc1ccc([C@@H]2CN(Cc3ccccc3)C[C@H]2CI)cc1OCC 1614714131 KGAWFRVZEPTDNX-UXHICEINSA-N 465.375 5.135 50 10 JKGE FC(F)(F)c1ccc(-n2nc(-c3cc(C(F)(F)F)cc(C(F)(F)F)c3)cc2CCl)cc1 1614818619 OIRPKYIPGIYDOE-UHFFFAOYSA-N 472.738 7.335 50 10 JKGE Cc1c(C(=O)Oc2ccc3ccccc3c2)oc2c1C(=NNC(=O)c1ccc3ccccc3n1)CCC2 1772750889 BKTTYQRFXGAGKE-UHFFFAOYSA-N 489.531 5.979 50 10 JKGE COc1ccc(-n2nc(C(=O)Nc3ccc(SC#N)cc3)cc2CCc2ccccc2)cc1 1862326852 NZBFTZKWOQOBIC-UHFFFAOYSA-N 454.555 5.492 50 10 JKGE N#CC1=C(N)Oc2c(c(-c3ccccc3)nn2Cc2ccccc2Cl)[C@H]1c1c(F)cccc1Cl 1865682863 ZBRROCUYGBVXGS-OAQYLSRUSA-N 491.353 6.262 50 10 JKGE CCCc1nn(Cc2ccc(F)cc2)c2c1[C@@H](c1c(Cl)cccc1Cl)C(C#N)=C(N)O2 1865686031 QLJBGJJRAXGANJ-LJQANCHMSA-N 457.336 5.548 50 10 JKGE CCOc1ccc([C@@H]2C(C#N)=C(N)Oc3c2c(C(F)(F)F)nn3Cc2ccc(C)cc2)cc1OCC 1865688877 DAYIWIULAHZTFH-OAQYLSRUSA-N 498.505 5.274 50 10 JKGE C=CCOc1ccccc1[C@H]1C(C#N)=C(N)Oc2c1c(-c1ccccc1)nn2Cc1ccccc1F 1865691101 JDHGEAXQQWZXGS-VWLOTQADSA-N 478.527 5.520 50 10 JKGE CCCCOc1ccc([C@H]2C(C#N)=C(N)Oc3c2c(C)nn3Cc2c(F)cccc2Cl)cc1 1865692617 NZGGUXOLKONNSN-QHCPKHFHSA-N 466.944 5.429 50 10 JKGE Cc1ccc(C)c(Cn2nc(-c3ccccc3)c3c2OC(N)=C(C#N)[C@@H]3c2ccc(F)cc2F)c1 1865701822 GKMUHBCEHVTMTK-DEOSSOPVSA-N 468.507 5.712 50 10 JKGE Cc1nn(-c2ccc(Cl)cc2)c2c1[C@H](c1cccc(OCc3ccccc3)c1)C(C#N)=C(N)O2 1865711600 CDNVWIBLMZURNH-RUZDIDTESA-N 468.944 5.631 50 10 JKGE CCCc1nn(-c2ccc(Cl)c(Cl)c2)c2c1[C@@H](c1ccc([N+](=O)[O-])cc1)C(C#N)=C(N)O2 1865712778 HOFOMAQRFUEBDR-IBGZPJMESA-N 470.316 5.258 50 10 JKGE CCOC(=O)c1c(-c2ccc(C(C)C)cc2)csc1NC(=O)CI 1865947841 VZNAJYNRZUGOKX-UHFFFAOYSA-N 457.333 5.089 50 10 JKGE CCCOc1ccc(-c2csc(NC(=O)/C(C#N)=C/c3ccc(Cl)cc3)c2C(=O)OCC)cc1 1866128222 DJFYVAKNCIUYCB-XMHGGMMESA-N 495.000 6.580 50 10 JKGE CCc1ccc(/C(C)=C/C(=O)N[C@@H](Cc2ccc(F)cc2)C(=O)Nc2ccc(SC#N)cc2)cc1 1866682759 NFKBIEIQEYTFGQ-DXCHCPKQSA-N 487.600 5.731 50 10 JKGE CCc1ccc(-c2csc(/C(C#N)=C(\O)[C@@H]([C@@H](C)CC)N3C(=O)c4ccccc4C3=O)n2)cc1 1872743998 CRNIYNCGQUKALY-MQBSAJFPSA-N 471.582 5.876 50 10 JKGE CCCCc1ccc(N2C[C@H](/C(O)=C(\C#N)c3nc(-c4ccc(OC)c(F)c4)cs3)CC2=O)cc1 1872752631 LTKANFWKHPUBDM-LDIFMVGESA-N 491.588 6.146 50 10 JKGE CCc1cccc(C)c1N1C[C@H](/C(O)=C(\C#N)c2nc(-c3ccc(OC)c(F)c3)cs2)CC1=O 1872752778 RQUDRFKBGSYVOR-FCQUGJPQSA-N 477.561 5.674 50 10 JKGE Cc1ccc(-c2csc(/C(C#N)=C(O)/C=C/c3ccc(OCc4ccccc4Cl)cc3)n2)cc1C 1872756494 MIUFTHGAQSIDIB-ZFQQLCRMSA-N 499.035 8.165 50 10 JKGE COc1ccc(-c2csc(/C(C#N)=C(\O)c3ccc(C(C)(C)C)cc3)n2)c(OC)c1OC 1872759438 ONCOCWDBFKGEOR-UZYVYHOESA-N 450.560 6.083 50 10 JKGE COc1cc(/C=C(\C#N)c2nc(-c3c(C)c(C)cc(C)c3C)cs2)ccc1OCc1ccc(C)cc1 1872792695 MBEPWVANOGLXSF-VULFUBBASA-N 494.660 8.004 50 10 JKGE CCCCOc1ccc(/C=C(\C#N)c2nc(-c3ccc(OC)cc3OC)cs2)cc1OC 1872793637 KYTVSZODOMQZFV-LDADJPATSA-N 450.560 6.079 50 10 JKGE CCOc1c(Br)cc(/C=C(\C#N)c2nc(-c3c(C)cc(C)cc3C)cs2)cc1OC 1872794193 OGXVQCANQZSGFC-GIJQJNRQSA-N 483.431 6.969 50 10 JKGE COc1ccc(OC)c(-c2csc(/C(C#N)=C(\O)Cc3ccc(OCc4ccccc4)cc3)n2)c1 1873920961 NMUKQORBIRFIPK-LCUIJRPUSA-N 484.577 6.442 50 10 JKGE C[C@]1(CCOCc2ccccc2)CCN1S(=O)(=O)c1cc(CCl)sc1Br 1892696116 WUYNZQYGVHZVFN-GOSISDBHSA-N 478.861 5.009 50 10 JKGE Cl[C@H](c1cc(Br)sn1)c1cc(Br)ccc1OCc1ccccc1 1899853016 RHCVRLXTTJOWCL-KRWDZBQOSA-N 473.617 6.575 50 10 JKGE CP(C)(=O)[C@H](Br)CCc1ccc(I)c(Br)c1 1904343451 JBOYPMVHDZYDEB-NSHDSACASA-N 479.918 5.330 50 10 JKGE CC[C@H](Br)CN(Cc1ccccc1)S(=O)(=O)c1ccc(Cl)c(Cl)c1 1915078784 UYKAKFBVAZLUHB-AWEZNQCLSA-N 451.213 5.358 50 10 JKGE O=C(Cc1ccc(Br)cc1F)N(Cc1ccccc1)[C@H](CBr)C1CC1 1915263284 FJWWFLAXDGVIJO-LJQANCHMSA-N 469.192 5.333 50 10 JKGE C[C@@H]1CN(Cc2ccccc2)C[C@@H](C)N(c2ccc(CBr)cc2Br)C1 1921466050 QJBADLWTDZIFNS-IAGOWNOFSA-N 466.261 5.691 50 10 JKGE Clc1cc(Cl)cc([C@@H](Br)c2sc(Br)cc2Br)c1 1922935601 RENAINBKKIZNMB-SNVBAGLBSA-N 479.846 7.064 50 10 JKGE Cc1cccc([C@H](Cl)c2sc(Br)c(C)c2Br)c1Br 1922938265 CXFJEEPSQRJOPV-NSHDSACASA-N 473.455 6.981 50 10 JKGE C[C@@H](c1ccncc1Br)[C@H](Cl)c1scc(Br)c1Br 1924057386 VBDAVTAVPUUTGO-KGFZYKRKSA-N 474.443 6.514 50 10 JKGE CC(C)(C)CC[C@@H](Cl)c1c(Br)sc(Br)c1Br 1924580174 PMNUQBJIDBKIMI-ZCFIWIBFSA-N 453.465 7.142 50 10 JKGE Cl[C@@H](Cc1ncccc1Br)c1cc(Br)c(Br)s1 1924910218 TVAATIQKMUBQDI-QMMMGPOBSA-N 460.416 5.953 50 10 JKGE FC(F)C1CC(C[C@@H](Br)c2cc(Br)sc2Br)C1 1926985528 VJPDUNCHQQBJHW-NPWHJSNTSA-N 452.984 6.391 50 10 JKGE CCc1nc(C(=O)N(Cc2ccccc2)C(C)(C)CBr)c(Br)s1 1980616235 ZMOUMOBWUWGSOT-UHFFFAOYSA-N 460.235 5.284 50 10 JKGE Cc1sc(Br)c([C@@H](Br)c2cc(I)sn2)c1C 1993989576 WUSNVFBDCIHUAX-VIFPVBQESA-N 493.027 5.673 50 10 JKGE C[C@]12CO[C@]([C@H](Br)c3c(Br)sc(Br)c3Cl)(C1)C2 2025089089 QIPZFBBUBQXSAW-ONOSFVFSSA-N 465.432 5.932 50 10 JKGE N#CC(=Cc1cc2ccccc2nc1SCc1ccc(Cl)cc1)c1ccc(Cl)c(Cl)c1 2040746847 SCBNDWDTGPKHHO-UHFFFAOYSA-N 481.835 8.551 50 10 JKGE CC(=O)N(c1cccc(Cl)c1)c1nc(C=C(C#N)c2nc(-c3ccccc3)cs2)cs1 2041762833 PZVDYQCZZLXARF-UHFFFAOYSA-N 462.987 6.669 50 10 JKGE Clc1c(Br)sc(Br)c1[C@@H](Br)[C@@H]1C[C@@H]2CCC[C@@H]2C1 2063510215 OBRBSUSBAMXDEW-WHQQTDPMSA-N 477.487 7.189 50 10 JKGE Cc1cc(Cl)c([C@@H](Br)c2cccc(I)c2)cc1Cl 2081588179 DSEGUIVGFJLJFI-AWEZNQCLSA-N 455.948 6.391 50 10 JKGE BrC[C@H](Cc1ccc(Br)cc1)Cc1cc(Br)sn1 2084085422 BPNMCOOLBVPHDA-SNVBAGLBSA-N 454.025 5.464 50 10 JKGE Fc1ccc([C@@H](CBr)Cc2ccc(Br)cc2Br)cc1 2092262473 ZVRXVRVVKYZGJD-GFCCVEGCSA-N 450.971 6.072 50 10 JKGE F[C@@H]1CC[C@@H](CC(CBr)(CBr)c2cccc(Br)c2)C1 2093928009 PRYBSPGKIJVUJG-BXUZGUMPSA-N 457.019 6.005 50 10 JKGE CC1(C)COc2c([C@@H](Br)C3(Br)CCC3)cc(Br)cc21 2111899703 BCCKGKXJBIFJMC-CYBMUJFWSA-N 453.012 5.873 50 10 JKGE FC(F)(F)C1([C@@H](Br)c2cc(Br)sc2Br)CCOCC1 2116584895 XJKLHOCNQJYFFN-QMMMGPOBSA-N 486.973 6.068 50 10 JKGE COc1cc(F)c([C@@H](Cl)c2ccc(I)cc2)cc1Br 2138145416 AREVRDRRRPMSHU-AWEZNQCLSA-N 455.492 5.530 50 10 JKGE Cc1c(Br)ccc([C@H](Br)C2CCC(C)(C)CC2)c1Br 2138872256 JTPZPUSESYFPHK-OAHLLOKOSA-N 453.056 7.172 50 10 JKGE COc1c(C)cc(Br)cc1[C@H](Br)c1nc(C)sc1Br 2141645577 KEQYIKNKHMMLCL-JTQLQIEISA-N 470.024 5.778 50 10 JKGE Clc1cc(CN2[C@H]3CC[C@@H]2C[C@@H](CBr)C3)ccc1I 2142943989 QFJLZJSGMZEIIT-XYYAHUGASA-N 454.577 5.083 50 10 JKGE COc1cc(Br)c(C)cc1[C@H](Br)c1cc(Br)ccc1C 2145960227 FENDFAJWINBFBP-MRXNPFEDSA-N 463.007 6.321 50 10 JKGE Clc1cc([C@H](Br)c2cc(Br)cc3c2OCCC3)sc1Cl 2156052820 XFUOXARFBLSQDK-GFCCVEGCSA-N 457.014 6.627 50 10 JKGE CC[C@H]1CN(C(=O)OCc2ccccc2)[C@H](CC)CN1CC1(CBr)CCCCCC1 2162987639 OBTQEFMMODUTTR-XZOQPEGZSA-N 479.503 6.234 50 10 JKGE CC(C)(C)OC(=O)NCCSSCCN[C@H]1CCCOc2cc(Br)ccc21 2181748623 WLPPUMOVMJLCLZ-INIZCTEOSA-N 477.490 5.159 50 10 JKGE BrCc1cc(Br)cc(Br)c1OCc1ccn(C2CC2)n1 2186822866 CPFKENLKADKSAG-UHFFFAOYSA-N 464.983 5.217 50 10 JKGE Fc1cc(Br)c([C@@H](Br)c2c(Cl)cccc2Cl)c(F)c1Cl 2201619978 WNUPRVJGBMYTAE-LLVKDONJSA-N 465.346 7.172 50 10 JKGE Brc1ccc([C@H](Br)c2ccc3c(c2)COCC3)c(Br)c1 2203689715 BDKNUKBBNIRUEH-MRXNPFEDSA-N 460.991 5.769 50 10 JKGE C[C@@]1([C@@H](Br)c2cc(Br)c(Br)cc2F)CCCC1(F)F 2225615502 ICDCQNVCEFVTKE-RYUDHWBXSA-N 464.945 6.612 50 10 JKGE CCCCCCCCCCCOC1(CI)CCN(C(=O)OC(C)(C)C)CC1 2239500296 JPSDZLLKYWSRMT-UHFFFAOYSA-N 495.486 6.739 50 10 JKGE COc1ccc([C@H](Br)c2occc2Br)cc1I 2248884998 ANZZBXOJEWEMRZ-NSHDSACASA-N 471.914 5.140 50 10 JKGE Clc1ccc([C@H](CI)OC2CCN(Cc3ccccc3)CC2)cc1 2250386673 LUCUDHIHAGOMKG-FQEVSTJZSA-N 455.767 5.497 50 10 JKGE COc1cc([C@@H](Br)Cc2cc(Br)cc(Br)c2)sn1 2263519885 XVKIWGNZDFKYRC-JTQLQIEISA-N 455.997 5.355 50 10 JKGE Fc1cc([C@@H](Cl)c2c(Cl)sc(Br)c2Cl)c(F)cc1Br 2267240946 FBJBCTURQJZGGR-MRVPVSSYSA-N 471.375 7.186 50 10 JKGE Cc1c(Br)ccc([C@H](Br)C2CC3(CC(C)C3)C2)c1Br 2272232943 XLBYAAVQEWICOW-BASZAUDJSA-N 451.040 6.782 50 10 JKGE Fc1cc(Br)c(F)c(Br)c1[C@H](Br)[C@@H]1CCC[C@@H](F)C1 2272746872 CQOCSNBDSVAJME-OPVBNTEQSA-N 464.945 6.454 50 10 JKGE CCOc1ccc([C@H](Br)Cc2cc(Br)cc(Br)c2)s1 2277892482 SOGPJXSQUGSDFP-GFCCVEGCSA-N 469.036 6.351 50 10 JKGE Fc1cc(Br)c(F)c(Br)c1[C@H](Br)[C@@H]1C[C@]12CCCOC2 2288489059 OYGWUMGPGCUSPZ-OXSLBIJZSA-N 474.965 5.743 50 10 JKGE COc1c(Br)cc(Cl)cc1[C@@H](Cl)c1c(Cl)cccc1Br 2295265048 MMZYBLFXIWXECB-CYBMUJFWSA-N 459.392 6.855 50 10 JKGE CS(=O)(=O)c1sccc1[C@H](Br)c1cc2sc(Br)cc2s1 2295405629 DKVFKCYYWJQUTE-NSHDSACASA-N 472.270 5.675 50 10 JKGE Fc1cc(Br)c(Br)cc1[C@H](Br)c1ccc2scnc2c1 2296081417 NOQUCHVURLRFAJ-CQSZACIVSA-N 479.994 6.445 50 10 JKGE C=CCNC(=O)C(C#N)=Cc1cn(-c2ccccc2)nc1-c1ccc(OCc2ccc(F)cc2)cc1 2296730177 DANIENKGBPKKNF-UHFFFAOYSA-N 478.527 5.467 50 10 JKGE Brc1ccc(OCc2ccccc2)c([C@H](Br)C23COCC(C2)C3)c1 2299495696 RIONPQFNBZJDGG-YHDJDMAPSA-N 452.186 5.891 50 10 JKGE Cl[C@@H](c1ccc(Br)cc1)c1ccc(OCc2ccccc2)cc1Br 2299500183 CWJOTLRMDYMOTQ-FQEVSTJZSA-N 466.600 7.119 50 10 JKGE Brc1ccc(OCc2ccccc2)c([C@H](Br)[C@H]2CCC[C@@H]3C[C@H]23)c1 2299501236 MELPQNRTPVPBTN-CNTRQJEFSA-N 450.214 6.900 50 10 JKGE Cc1c(Cl)sc(Cl)c1[C@@H](Br)c1cc(Br)sc1Br 2299541063 AASUKNZFQCDBSM-ZETCQYMHSA-N 499.902 7.434 50 10 JKGE BrCC(CBr)(Cc1sccc1I)C1CCCC1 2301079170 QKUCUMVMUSDQDY-UHFFFAOYSA-N 492.058 5.862 50 10 JKGE FC1(F)[C@H]2C[C@H]([C@@H](Br)c3cc(Br)sc3Br)CC[C@H]21 2309101327 VSXQBQLTMUZVDH-PJGXCUNHSA-N 464.995 6.391 50 10 JKGE N#CC(=Cc1cccn1-c1ccc(Br)cc1)C(=O)Nc1ccc(Cl)c(Cl)c1 2313564934 GXHCQCDAEOICEZ-UHFFFAOYSA-N 461.146 6.092 50 10 JKGE Clc1cccc([C@@H](Cl)c2cc(Br)ccc2OCc2ccccc2)c1Cl 2314448801 KPTPWZACJMNFOK-LJQANCHMSA-N 456.594 7.663 50 10 JKGE N#CC(=Cc1ccc(-c2ccc(Cl)c(Cl)c2)o1)C(=O)Nc1ccc(Cl)cc1Cl 2314571946 PGKLFTFSDAUKQN-UHFFFAOYSA-N 452.124 7.106 50 10 JKGE CCCCCN1C(=O)C(=Cc2ccc(OCc3ccccc3Cl)c(OCC)c2)C(C)=C(C#N)C1=O 2314610232 FXBLBHIRYOXHQZ-UHFFFAOYSA-N 493.003 6.100 50 10 JKGE Fc1c(Br)cc(Cl)c([C@H](Br)C2CC3(CC3)C2)c1Br 2315460531 KMAGCVOVJXQGIG-SNVBAGLBSA-N 461.394 6.630 50 10 JKGE Brc1cc([C@@H](Br)[C@H]2C[C@H]3CCC[C@H]2CC3)sc1Br 2316784476 BGYATLMSYANMAG-YVNDNENWSA-N 457.069 6.926 50 10 JKGE Cc1cc(I)ccc1NC=C(C#N)C(=O)Nc1ccc(Oc2ccccc2)cc1 2325129978 VAQISSGEZXZKED-UHFFFAOYSA-N 495.320 5.850 50 10 JKGE C[C@@H](c1ccccc1)N1C[C@H](C(O)=C(C#N)c2nc(-c3ccc(-c4ccccc4)cc3)cs2)CC1=O 2331231900 RIMGGVONBWGJID-NBGIEHNGSA-N 491.616 6.879 50 10 JKGE N#CC(=C(O)c1ccc(N2C(=O)c3ccccc3C2=O)cc1)c1nc(-c2ccc(Cl)cc2)cs1 2331295889 QMMGBWHMPOTCLE-UHFFFAOYSA-N 483.936 6.214 50 10 JKGE CC(C)[C@@H](C(O)=C(C#N)c1nc(-c2ccc(Cl)c(Cl)c2)cs1)N1C(=O)c2ccccc2C1=O 2331311502 OKVKUGYODQYILX-FQEVSTJZSA-N 498.391 6.230 50 10 JKGE C[C@H](c1ccccc1)N1C[C@@H](C(O)=C(C#N)c2nc(-c3cccc4ccccc34)cs2)CC1=O 2331339316 XZSCXKQZKDSDLG-NQIIRXRSSA-N 465.578 6.366 50 10 JKGE COc1cc(Cl)c(C)cc1-c1csc(C(C#N)=C(O)[C@@H](C)Oc2ccc(Cl)cc2)n1 2331390070 FPSSRZXYTIFKEG-CYBMUJFWSA-N 461.370 6.694 50 10 JKGE CCCOc1ccc(-c2csc(C(C#N)=Cc3ccc(OCc4ccccc4Cl)cc3)n2)cc1 2331445348 LHHQCBOWPGYGHC-UHFFFAOYSA-N 487.024 7.895 50 10 JKGE Cc1ccc([C@@H](C)[C@H](Br)c2cc(Br)ccc2OCc2ccccc2)cc1 2336045539 XDSUBOYUFJYNIV-HXOBKFHXSA-N 474.236 7.576 50 10 JKGE Clc1ccc(CO[C@H](CBr)c2ccccc2)c(I)c1 2340110379 PBXQJFRNVILWJG-OAHLLOKOSA-N 451.529 5.597 50 10 JKGE CCC1(CC)[C@@H](OCc2cc(I)ccc2Br)C[C@H]1Cl 2341838790 RWMWYFRZNNKCIE-KGLIPLIRSA-N 457.577 5.756 50 10 JKGE ClC[C@H]1CCC[C@@H](CNCc2ccc(I)c(Br)c2)C1 2349829403 OJDXMPMIPBYVEC-NWDGAFQWSA-N 456.593 5.189 50 10 JKGE C[C@@H]1[C@@H](Br)C[C@H]2CC[C@H]1N2Cc1cc(I)ccc1Cl 2352423729 KHSJFSNXTLIUMI-BXKLLYQPSA-N 454.577 5.081 50 10 JKGE Brc1cc(OCc2ccccc2)ccc1[C@H](Br)c1ccc2ccccc2c1 2361193574 ATPGLXHRCWRQRR-XMMPIXPASA-N 482.215 7.666 50 10 JKGE COc1ccnc(Oc2cc(Cl)c(C)cc2I)c1CBr 2361710739 SRNSJTPCXUOBGU-UHFFFAOYSA-N 468.516 5.344 50 10 JKGE Cc1cc(Br)c(F)c(Br)c1[C@H](Br)C[C@@H]1CCCC1(F)F 2365187790 DPNULDQBVRBMBM-DTWKUNHWSA-N 478.972 6.921 50 10 JKGE COc1c(Br)cc(C)c([C@@H](Br)C[C@H]2C[C@H]3C[C@H]3C2)c1Br 2365216171 RJUUAHAJXXRBFV-YFKTTZPYSA-N 467.039 6.401 50 10 JKGE Fc1cc([C@@H](Br)c2ccc(Cl)cc2I)c(F)c(F)c1F 2365597264 FCGDUXXLUBWLSA-JTQLQIEISA-N 479.436 5.985 50 10 JKGE CCSc1sccc1[C@@H]1C(C#N)=C(N)N(c2ccccc2C)C2=C1C(=O)C[C@H](c1ccccc1)C2 9982522 SZRMOCQETDPVAJ-FQRUVTKNSA-N 497.689 6.867 50 10 JKGE CC[C@@H](Oc1ccccc1[C@H](C)CC)C(=O)NNC(=O)c1ccc(OCc2ccccc2)cc1 10683862 RGTSPPDGMVUIHS-CJFMBICVSA-N 460.574 5.398 50 10 JKGE Cc1ccccc1NC(=O)/C(C#N)=C\c1ccc(-n2nc(-c3ccccc3)cc2-c2ccccc2)cc1 33568567 BCVVFNHXGGGLKI-OOAXWGSJSA-N 480.571 7.060 50 10 JKGE Cc1ccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4oc5ccc(C)cc5c4C)ccc32)cc1 38687036 XDOUGUUQRQJASI-VWLOTQADSA-N 450.494 5.795 50 10 JKGE CSc1ccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4oc5ccc(F)cc5c4C)ccc32)cc1 38700730 BQBDYBSWNFQXIH-DEOSSOPVSA-N 486.524 6.040 50 10 JKGE N#C/C(=C\c1ccc(-c2ccc(Br)cc2)o1)C(=O)Nc1ccc(Cl)cc1Cl 39884608 QUQSOAYTRCYONP-UKTHLTGXSA-N 462.130 6.562 50 10 JKGE COc1cc(/C=C(\C#N)c2ccccc2)ccc1OC(=O)COc1ccc(-c2ccccc2)cc1 40851116 DOJVFAILHCPYKF-NLRVBDNBSA-N 461.517 6.411 50 10 JKGE Cc1ccccc1COc1ccccc1/C=N/NC(=O)CSc1nc(-c2ccccc2)cs1 40924514 OBSMKOACQXXPSZ-JFLMPSFJSA-N 473.623 5.940 50 10 JKGE O=C(N/N=C(/CSc1nc2ccccc2o1)c1ccc2ccccc2c1)c1ccccc1O 59460784 OUKFTZZFDHNPTE-SLMZUGIISA-N 453.523 5.613 50 10 JKGE C/C(=N\NC(=O)c1ccc(NC(=O)c2ccccc2C)cc1)C(c1ccccc1)c1ccccc1 66202575 WDYBBIZOCFEJIM-WEMUVCOSSA-N 461.565 6.185 50 10 JKGE CC(C)N1CC2=C(OC(N)=C(C#N)[C@H]2c2ccccc2Cl)/C(=C\c2ccccc2Cl)C1 98064684 RZGCUOJSWGLQEA-XHAORJAKSA-N 452.385 5.863 50 10 JKGE N#C/C(=C/Nc1cc(C(F)(F)F)ccc1Cl)c1nc(-c2ccc([N+](=O)[O-])cc2)cs1 100477468 ZDZCULUJSKCDEK-XFXZXTDPSA-N 450.829 6.367 50 10 JKGE CCc1ccc(N2C(=O)[C@@H](Cc3cc(C(F)(F)F)ccc3Cl)S/C2=C(/C#N)C(=O)NC)cc1 101240464 OTGKPJPZADAXRY-YQPBSLOJSA-N 493.938 5.093 50 10 JKGE CC(C)c1ccc(N2C(=O)[C@@H](Cc3ccccc3F)S/C2=C(/C#N)C(=O)NCc2ccccc2)cc1 101240957 JCTCVHPNLQWCRA-SCHJHDHGSA-N 499.611 5.692 50 10 JKGE CCCCN1C(=O)C(C#N)=C(C)/C(=C\c2cn(-c3ccccc3)nc2-c2ccc(OC)c(F)c2)C1=O 101332997 FVORNXPCHYPTCF-HYARGMPZSA-N 484.531 5.079 50 10 JKGE CCCCN1C(=O)C(C#N)=C(C)/C(=C\c2cn(-c3ccccc3)nc2-c2ccc(OCCC)cc2)C1=O 101333011 OBSGGWTVGZEWQR-NLRVBDNBSA-N 494.595 5.720 50 10 JKGE COc1c(Br)cc(Cl)cc1[C@H](Cl)c1ccc(I)cc1 109794641 HGBFKZCVHGUZLE-CYBMUJFWSA-N 471.947 6.044 50 10 JKGE Cc1cc([C@H](Br)c2cc(C)c(Br)s2)c(C)cc1Br 126060402 FYHVWGRMRZIZKS-ZDUSSCGKSA-N 453.037 6.683 50 10 JKGE Cc1nn(C)c(Cl)c1CC(CBr)(CBr)c1ccccc1Br 167851152 NWKZVWBFGPUJMJ-UHFFFAOYSA-N 499.472 5.415 50 10 JKGE ClC[C@@]1(C(Cl)Cl)[C@H]2CC(Cl)(Cl)[C@@]1(C(Cl)Cl)[C@@H](Cl)C2(Cl)Cl 169575449 DGYUTICLLXPLLK-IDPWLTHOSA-N 482.704 6.794 50 10 JKGE CC(C)(C)CC(C)(C)c1ccc(OCC(=O)N/N=C/c2cccc(Oc3ccccc3)c2)cc1 206226517 AXBVFHNILWXGAT-NDZAJKAJSA-N 458.602 6.722 50 10 JKGE CCc1cccc(CC)c1NC(=O)/C(C#N)=C\Nc1cc(C(F)(F)F)cc(C(F)(F)F)c1 217208419 WEYKQDGVESPDHG-QINSGFPZSA-N 455.402 6.307 50 10 JKGE CCOc1ccc([C@H](Br)c2csc(Br)c2)cc1Br 233792211 ZTOITMXDKWDWOU-ZDUSSCGKSA-N 455.009 6.156 50 10 JKGE CCOc1ccc([C@@H](Cl)c2ccc(Br)cc2Br)cc1Br 233797441 QOJBHCOEFDHUSY-OAHLLOKOSA-N 483.425 6.701 50 10 JKGE Cc1cc(F)c([C@H](Cl)c2cc(Br)ccc2I)cc1F 235924079 SBOMNNCEQAXQDE-AWEZNQCLSA-N 457.483 5.969 50 10 JKGE CC(=NNC(=O)Cc1ccc(Br)cc1)c1ccc(NC(=O)c2ccc(Cl)s2)cc1 252588371 ABKVWEVUYYUGJE-UHFFFAOYSA-N 490.810 5.499 50 10 JKGE CCOc1cc(C=NNC(=O)COc2ccc(Cl)cc2)ccc1OCc1ccccc1Cl 252632474 VUEZCRNIDWBTGF-UHFFFAOYSA-N 473.356 5.500 50 10 JKGE COc1cc(C=NNC(=O)COc2cc(C)ccc2C(C)C)ccc1OC(=O)c1ccc(C)cc1 254308955 NETWGARHTRAAKM-UHFFFAOYSA-N 474.557 5.184 50 10 JKGE COc1cc(C=NNC(=O)COc2cc(C)ccc2C(C)C)ccc1OC(=O)c1cccc(F)c1 254625807 ZDMXDZSMXJYJRG-UHFFFAOYSA-N 478.520 5.014 50 10 JKGE C[C@H](Cl)c1nc2ccccc2n1-c1cc(Br)ccc1I 312284529 PYEUJLAOUCRGBY-VIFPVBQESA-N 461.528 5.692 50 10 JKGE CN(C(=O)OC(C)(C)C)c1ccc([C@H]2CCc3ccccc3N2CCO[Si](C)(C)C(C)(C)C)cc1 616670370 XOBBNQITEJZDQU-AREMUKBSSA-N 496.768 7.574 50 10 JKGE C[C@H]1Cc2cc(Br)cc([C@@H](Cl)c3ccccc3I)c2O1 720123287 HMGMUFBNYUDLKI-VFZGTOFNSA-N 463.540 5.705 50 10 JKGE Cc1cc(C)c(OCC(=O)NN=C2C(=O)N(Cc3cccc4ccccc34)c3ccccc32)c(C)c1 1084604140 UNZMVFVPRJJHIL-UHFFFAOYSA-N 477.564 5.211 50 10 JKGE Cc1ccc(NC(=O)/C(C#N)=C/c2cc(Cl)c(OCc3ccc4c(c3)OCO4)c(Cl)c2)cc1 1084635103 NOBHACQEWRLLFD-QGMBQPNBSA-N 481.335 6.155 50 10 JKGE Cc1ccc(Cl)cc1NC(=O)c1oc2c(c1C)C(=NNC(=O)c1ccccc1Cl)CCC2 1772744311 URMKGUGMVPVOMA-UHFFFAOYSA-N 470.356 5.926 50 10 JKGE Cc1c(C(=O)Oc2ccc(F)cc2)oc2c1C(=NNC(=O)C(c1ccccc1)c1ccccc1)CCC2 1772748131 ISQVJAGEQMYSKS-UHFFFAOYSA-N 496.538 5.935 50 10 JKGE Cc1ccc2c(CC(=O)NN=C3CCCc4oc(C(=O)N(C)Cc5ccccc5)c(C)c43)coc2c1C 1772751458 CGWKGMXDMUZEFT-UHFFFAOYSA-N 497.595 5.623 50 10 JKGE CCOc1ccc2ccccc2c1C=NNC(=O)CCCOc1ccc(CC)cc1Br 1772755430 HIDDFPZQPRIGSI-UHFFFAOYSA-N 483.406 5.873 50 10 JKGE CCCc1nn(-c2cccc(Cl)c2)c2c1[C@H](c1ccc(OCC)c(OC)c1)C(C#N)=C(N)O2 1865695309 NHQVBCPTJYREEJ-JOCHJYFZSA-N 464.953 5.104 50 10 JKGE N#CC1=C(N)Oc2c(c(C(F)(F)F)nn2-c2ccc(Cl)c(Cl)c2)[C@@H]1c1cccs1 1865697757 AYGRRCFFLFRAKE-ZDUSSCGKSA-N 457.264 5.478 50 10 JKGE COc1ccc(-c2nn(-c3ccccc3Cl)c3c2[C@H](c2cccs2)C(C#N)=C(N)O3)cc1 1865697944 GLJZGRNRPCSSDG-FQEVSTJZSA-N 460.946 5.481 50 10 JKGE Cn1cc([C@@H]2C(C#N)=C(N)Oc3c2c(C(F)(F)F)nn3-c2ccc(Cl)cc2)c2ccccc21 1865698861 FAIIJTYGBZARTA-SFHVURJKSA-N 469.854 5.254 50 10 JKGE CCCc1nn(-c2ccc(Br)cc2)c2c1[C@@H](c1ccc(F)cc1F)C(C#N)=C(N)O2 1865701778 FDAWNIJAZGXRBJ-IBGZPJMESA-N 471.305 5.084 50 10 JKGE N#CSc1ccc(NC(=O)[C@H](CSCc2ccccc2)NC(=O)CCc2ccccc2F)cc1 1866597957 VNJUYGQQMULWDG-DEOSSOPVSA-N 493.629 5.388 50 10 JKGE CCC[C@@H](NC(=O)[C@@H](c1ccc(Cl)cc1)C1CCCC1)C(=O)Nc1ccc(SC#N)cc1 1867004425 DZBQBIFSDLWOHN-DHIUTWEWSA-N 470.038 6.111 50 10 JKGE COc1ccc2c(c1)C[C@H](C)CN2c1cc(Nc2ccc(SC#N)cc2)nc(-c2ccccc2)n1 1868364726 DYSOUZXXYANYOA-IBGZPJMESA-N 479.609 6.799 50 10 JKGE Cc1oc2cc(OCc3ccc(CCl)cc3)ccc2c(=O)c1-c1ccc2c(c1)OCCCO2 1871436749 NRGSBRFSNGUFLS-UHFFFAOYSA-N 462.929 6.248 50 10 JKGE COc1cc(/C=C(\C#N)c2nc3ccccc3n2C)ccc1OCc1c(Cl)cccc1Cl 1872727007 XZZYGRMTSXEWFT-SFQUDFHCSA-N 464.352 6.532 50 10 JKGE CCn1c(/C(C#N)=C/c2cc(Br)c(O)c(Br)c2O)nc2ccccc21 1872731167 RZUYFRZIYUPRAV-YRNVUSSQSA-N 463.129 5.057 50 10 JKGE CC(C)c1ccc(O[C@@H](C)/C(O)=C(\C#N)c2nc(-c3cccc(Br)c3)cs2)cc1 1872745771 CBSOSCSHUNVZSO-FOVZNYCQSA-N 469.404 6.956 50 10 JKGE CCCCc1ccc(N2C[C@@H](/C(O)=C(\C#N)c3nc(-c4ccc(OC)c(C)c4)cs3)CC2=O)cc1 1872746668 RXUASGWUVNGGIP-GYSBHSFWSA-N 487.625 6.316 50 10 JKGE N#C/C(=C(/O)c1ccccc1I)c1nc(-c2cccc(Cl)c2)cs1 1872748425 WTYOTIIFHCRWAM-VKAVYKQESA-N 464.715 6.018 50 10 JKGE COc1ccc(C(C)(C)C)cc1-c1csc(/C(C#N)=C(\O)COc2ccc(Cl)cc2Cl)n1 1872751361 DLTFEAQZXCDMLA-JZJYNLBNSA-N 489.424 7.295 50 10 JKGE N#C/C(=C(/O)c1ccc2c(c1)C(=O)N(C1CCCCC1)C2=O)c1nc(-c2ccc3c(c2)OCO3)cs1 1872752643 MHFPXUXMARJINE-GFMRDNFCSA-N 499.548 5.417 50 10 JKGE COc1cc(-c2csc(/C(C#N)=C(\O)c3cccc(OC(C)=O)c3)n2)c(OC)cc1Cl 1872755132 ZNLZNLPJZWHBMF-PGMHBOJBSA-N 456.907 5.356 50 10 JKGE COc1c(Cl)cc(-c2csc(/C(C#N)=C(\O)[C@H]3CC(=O)N(C(C)C)C3)n2)cc1Cl 1872756420 ZRCRUDRIJXRKGA-JYRXDZGKSA-N 452.363 5.175 50 10 JKGE COc1ccc(-c2csc(/C(C#N)=C/c3ccc(OCc4ccc(C)cc4)c(OC)c3)n2)cc1F 1872792114 FOTDDCAYFBYWLO-WSDLNYQXSA-N 486.568 6.918 50 10 JKGE CCCCCOc1ccc(/C=C(\C#N)c2nc(-c3ccc(OC)cc3OC)cs2)cc1OCC 1872793647 LHVKPIFYJCNFHO-XSFVSMFZSA-N 478.614 6.859 50 10 JKGE C[C@H](Cl)c1nc2c(Br)cc(F)cc2n1[C@@]1(C)CCN(Cc2ccccc2)C1 1912678064 PYJWTONHBUWKBX-QKKBWIMNSA-N 450.783 5.859 50 10 JKGE CC[C@@H](Br)CN(Cc1ccccc1)S(=O)(=O)c1cc(Cl)ccc1Cl 1915078096 MFRRUPMQKOIBOZ-CQSZACIVSA-N 451.213 5.358 50 10 JKGE Cc1cc([C@H](Br)c2cc(Cl)c(Br)cc2F)oc1Br 1917591718 KOIPIKHLUAFLBL-LLVKDONJSA-N 461.350 6.390 50 10 JKGE CS(=O)(=O)c1ccc([C@H](Cl)c2c(Br)sc(Br)c2Cl)cc1 1923049681 NQFDYMHSSIZEJD-VIFPVBQESA-N 479.042 5.658 50 10 JKGE C[C@@H]1CCC[C@@H]1[C@@H](Br)c1c(Br)sc(Br)c1Cl 1923068715 VMVZHJHBEINXLX-GKROBHDKSA-N 451.449 6.799 50 10 JKGE F[C@@H]1CCC[C@@H]([C@@H](Br)c2c(Br)sc(Br)c2Cl)C1 1923072369 ONKZLNMYYZUTNG-ATRFCDNQSA-N 469.439 6.891 50 10 JKGE C[C@@](CCCCC[C@H]1CCSS1)(NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)O 1951706489 BMAYACMZXLWDGV-QYBDOPJKSA-N 485.671 6.473 50 10 JKGE Cl[C@@H](c1cc(Br)cs1)c1sc(Br)cc1Br 1961678432 LNDMCQLBAXUIQF-QMMMGPOBSA-N 451.430 6.425 50 10 JKGE BrCc1ccc(N2C[C@H]3C[C@@H](C2)N(Cc2ccccc2)C3)cc1Br 2014348131 MSJVKFWBEVDMNI-LPHOPBHVSA-N 450.218 5.055 50 10 JKGE COc1sc([C@@H](Cl)c2ccc(Br)cc2Br)cc1Br 2034630377 VPPLBTGIWVQDHC-NSHDSACASA-N 475.427 6.372 50 10 JKGE CCc1sc(Br)cc1[C@@H](Br)c1c(Br)sc(C)c1C 2039503407 PGEPVHWCJYJASB-GFCCVEGCSA-N 473.093 6.998 50 10 JKGE CCC(CC)[C@@H](Br)CNC(=O)c1cccc(Br)c1Br 2092340938 WIJUPIGOCGVRRB-LBPRGKRZSA-N 456.016 5.141 50 10 JKGE ClC[C@H](Cc1c(Br)cccc1Br)c1ccccc1Br 2094094309 AGBJFMPUUSRWIS-JTQLQIEISA-N 467.426 6.539 50 10 JKGE COCc1cc(Br)c([C@H](Cl)c2c(Br)cccc2Br)s1 2094094345 ASCFHNGSKMDLSB-GFCCVEGCSA-N 489.454 6.510 50 10 JKGE Cc1cc(Oc2cc(Br)cc(F)c2CBr)ccc1Br 2114264539 PEKKWJYGMRYNIG-UHFFFAOYSA-N 452.943 6.346 50 10 JKGE FC(F)(F)C1([C@H](Br)c2cc(Br)ccc2Br)CCCC1 2116584454 RDZIMQHFCYVNSO-LLVKDONJSA-N 464.945 6.770 50 10 JKGE Cc1ccc(C(CBr)(CBr)Cc2cnsc2Br)cc1 2119234443 PURNLISOVCBPSR-UHFFFAOYSA-N 468.052 5.484 50 10 JKGE Cl[C@@H]1[C@@H](CNc2ncc(I)cc2Br)CCC12CCC2 2133382479 VZXSBOBBEMNXOU-BXKDBHETSA-N 455.565 5.048 50 10 JKGE CN(c1ccc(CBr)cc1Br)[C@@H]1C[C@@H]2C[C@H](OCc3ccccc3)C[C@H]21 2134012596 CQXXITDOJQNBMR-PSHVLCQKSA-N 479.256 6.164 50 10 JKGE Cl[C@@H](c1c(Br)sc(Br)c1Br)[C@@H]1C[C@H]1c1ccccc1 2135279489 WIKPETJGOIAHDQ-YGOYTEALSA-N 485.466 7.119 50 10 JKGE CC[C@@H]1CC[C@H](COc2c(Br)cc(CBr)cc2Br)O1 2136741139 FCVSKWXQSSHLPB-GHMZBOCLSA-N 457.000 5.443 50 10 JKGE CC[C@H]1CC[C@H](COc2c(Br)cc(CBr)cc2Br)O1 2136741142 FCVSKWXQSSHLPB-WDEREUQCSA-N 457.000 5.443 50 10 JKGE Cc1nn(C)c([C@H](Cl)c2ccc(Br)c(C)c2Br)c1Br 2138866743 VHFUGCYXKZCWPB-GFCCVEGCSA-N 471.418 5.653 50 10 JKGE COCCOc1ccc([C@@H](Cl)c2cscc2OCc2ccccc2)cc1Br 2156306652 QBJBANFQDINVDS-OAQYLSRUSA-N 467.812 6.443 50 10 JKGE COc1ccc(C[C@@H](Cl)c2cc(I)ccc2Br)cc1F 2168400085 DGXABPSVMSYOOV-CYBMUJFWSA-N 469.519 5.724 50 10 JKGE BrCc1cc(Br)cc(Br)c1OCC12CCC(CC1)CC2 2184969407 MXIVSWOROINYBR-UHFFFAOYSA-N 467.039 6.456 50 10 JKGE C[C@@H]1OCC[C@@H]1CCC(CBr)(CBr)c1ccccc1Br 2196315021 KLFZRZXGQUIFMI-STQMWFEESA-N 469.055 5.682 50 10 JKGE Cc1cc(Br)c(C)c([C@H](Br)C23CCC(CC2)CC3)c1Br 2201065212 OHMJSPMFSKZCJM-PDOTXMHQSA-N 465.067 7.235 50 10 JKGE Cc1cc(Br)c(C)c([C@H](Br)[C@@H]2C[C@H]3C[C@H]2[C@@H]2C[C@H]32)c1Br 2201070334 YRPXVQBCJZSJRY-OLGYYULASA-N 463.051 6.557 50 10 JKGE COc1c(Cl)cc(Br)cc1[C@@H](Br)c1cc(C)ccc1Br 2203000252 DNVVLKLKAWNYLM-AWEZNQCLSA-N 483.425 6.666 50 10 JKGE Cl[C@H](Cc1nc2ccccc2s1)c1ccc(Br)cc1I 2207266584 BBGDMQZAZQTOBQ-LLVKDONJSA-N 478.580 6.186 50 10 JKGE Cc1cc(Br)c([C@H](Cl)c2sc(Br)cc2Br)s1 2211911712 GMYXXKCCUUCPHD-QMMMGPOBSA-N 465.457 6.734 50 10 JKGE Clc1cc(Br)ccc1C[C@@H](Cl)c1sccc1I 2215861756 IOKMGTVFEUUPFT-SNVBAGLBSA-N 461.977 6.291 50 10 JKGE FC(F)(F)[C@@H]1CC[C@@H]1[C@H](Br)c1ccc(Br)cc1Br 2217676681 SJRREZLEISCMIQ-NMLBEHRDSA-N 450.918 6.236 50 10 JKGE Cc1ccc([C@@H](Cl)c2cc(F)c(Br)cc2F)cc1I 2224622802 VWAFHSDLEBOSDY-CQSZACIVSA-N 457.483 5.969 50 10 JKGE CCOCc1cc(Br)c([C@H](Br)c2scc(C)c2Br)s1 2224774897 RCTWAWVIZJAUKT-NSHDSACASA-N 489.092 6.664 50 10 JKGE C[C@]1(C(F)(F)F)C[C@H]1[C@H](Br)c1cc(Br)c(Br)cc1F 2225619569 KNMVZYNLPAPRGJ-FZYJTZEISA-N 468.908 6.375 50 10 JKGE Cc1cc(Br)c([C@@H](Br)C(C)(C)S(C)(=O)=O)c(C)c1Br 2227351677 NVFLXQZVPJKLAG-GFCCVEGCSA-N 477.056 5.088 50 10 JKGE Clc1ccccc1C[C@H](Br)c1c(Br)cc(Cl)c(Cl)c1Cl 2232511755 LOTLAJXXANYYQU-QMMMGPOBSA-N 477.838 7.741 50 10 JKGE Clc1ccc([C@@H](Cl)c2c(Br)cc(Cl)c(Cl)c2Cl)cc1Cl 2232513806 RUWPWXDSUUXZAX-LLVKDONJSA-N 453.805 8.044 50 10 JKGE COc1ccc([C@H](Br)c2cc(Br)sc2Br)cc1C(C)C 2233136081 ITHIDGFDEJBBBE-AWEZNQCLSA-N 483.063 6.889 50 10 JKGE CCCCCCc1ccc([C@@H](Br)c2ccccc2I)s1 2234127673 YOBRDYJYKBGSHI-KRWDZBQOSA-N 463.222 6.960 50 10 JKGE Cc1cc(C(=O)[C@@H](C)Cl)c(C)n1-c1ccc(Br)cc1I 2240000254 QTFKSGGRYDGQCD-SECBINFHSA-N 466.544 5.271 50 10 JKGE Cc1sc([C@@H](Br)c2cccc(Cl)c2Br)cc1Br 2248098505 RSLAKSSFXOKSCH-LBPRGKRZSA-N 459.428 6.719 50 10 JKGE Fc1cccc(I)c1[C@@H](Br)Cc1ncccc1Br 2255957562 QVBBZKSLFQYVPK-VIFPVBQESA-N 484.932 5.267 50 10 JKGE COc1c(Br)cc(Cl)cc1[C@@H](Br)c1cocc1Br 2263451202 VIZDTQFNGTXZFK-LLVKDONJSA-N 459.359 5.951 50 10 JKGE Cc1sc([C@@H](Br)c2cc3sc(Br)cc3s2)cc1Br 2263576001 IHVKDNILMMSAAG-GFCCVEGCSA-N 487.101 7.342 50 10 JKGE C[C@@H]1OCC[C@H]1C[C@H](Br)c1c(F)cc(Br)c(F)c1Br 2272747743 NNSNIXUAYAAZET-FXQIFTODSA-N 462.954 5.741 50 10 JKGE FC(F)(F)c1ccc([C@H](Br)c2cc(Br)ccc2Br)s1 2277875915 OJLZPMYDYWVCGT-LLVKDONJSA-N 478.953 6.776 50 10 JKGE C[C@]1([C@@H](Br)Cc2cc(Br)cc(Br)c2)CCCC1(F)F 2277964180 CUDMOVGVSACHIO-QWHCGFSZSA-N 460.982 6.343 50 10 JKGE COc1cc(F)c([C@@H](Br)c2ccc(Cl)c(I)c2)c(F)c1 2283572179 BSVHUJSSQWRMJK-AWEZNQCLSA-N 473.482 5.716 50 10 JKGE COc1ccc([C@H](Br)[C@]2(C)CC[C@H](C)C2(C)C)cc1I 2285012351 VDKQVPSXSACBMU-KCTSRDHCSA-N 451.186 6.198 50 10 JKGE Fc1cc(Br)c(F)c(Br)c1[C@H](Br)C1[C@H]2CCCCC[C@H]12 2288351877 DVEHMOOQOAULLG-UVPNAGLESA-N 472.993 6.752 50 10 JKGE CCCc1cc(C(=O)OC)c(NC(=O)C(C#N)=Cc2cccc(OCc3cccc(Cl)c3)c2)s1 2295669865 CASWFOAZNYBTEP-UHFFFAOYSA-N 495.000 6.265 50 10 JKGE N#CC(=CNc1ccccc1Cl)c1nc(-c2cc3cc(Br)ccc3oc2=O)cs1 2295891401 SABAJMVNGFZEBA-UHFFFAOYSA-N 484.762 6.309 50 10 JKGE COc1cc(NC=C(C#N)c2nc(-c3cccc(Br)c3)cs2)c(C(C)=O)cc1OC 2295945701 VBJMFNSZQRDKOF-UHFFFAOYSA-N 484.375 5.769 50 10 JKGE N#CC(C(=O)Nc1ccccc1)=C1S[C@@H](Cc2ccc(F)cc2)C(=O)N1c1ccc(Cl)cc1 2296834812 FEBKCCPZRYCMSV-QFIPXVFZSA-N 477.948 5.544 50 10 JKGE Brc1cc(OCc2ccccc2)ccc1[C@H](Br)C12CCC(CC1)C2 2299536541 ZGGLNTPEWFYAHU-YFYMUDDPSA-N 450.214 7.044 50 10 JKGE O=C(N[C@@H](CCBr)COCc1ccccc1)c1ccc(Br)cc1Cl 2303544761 IGWWGLYKHOGSDV-HNNXBMFYSA-N 475.608 5.203 50 10 JKGE CCCOc1c(Br)cc(C=C(C#N)C(=O)Nc2ccc(C)cc2C)cc1OCC 2313518132 LTOCXQHDJMMLGA-UHFFFAOYSA-N 457.368 5.799 50 10 JKGE COc1cc(C=C(C#N)C(=O)Nc2c(C)cccc2C)ccc1OCc1c(Cl)cccc1Cl 2313667039 DHJYRUOOTXMPRL-UHFFFAOYSA-N 481.379 6.744 50 10 JKGE FC[C@]12C[C@]([C@@H](Br)c3ccc(OCc4ccccc4)cc3Br)(CO1)C2 2314442122 DNGQNDGZKOOHQP-UFYCRDLUSA-N 470.176 5.983 50 10 JKGE N#CC(=Cc1cn(-c2ccccc2)nc1-c1cccc(OCc2ccccc2)c1)C(=O)N1CCCCC1 2314478459 MNTITSRHKDVZMT-UHFFFAOYSA-N 488.591 6.038 50 10 JKGE N#CC(=Cc1ccc(-c2cc(Cl)ccc2Cl)o1)c1nc(O)c2cc(Br)ccc2n1 2314487680 HLUREWJSPWLMFI-UHFFFAOYSA-N 487.140 6.729 50 10 JKGE CCCCCCOc1ccc(C=C(C#N)C(=O)NC(c2ccccc2)c2ccccc2)cc1OC 2314728837 NEAZGKSCVBLNBH-UHFFFAOYSA-N 468.597 6.467 50 10 JKGE CCCc1sc(Br)cc1[C@@H](Cl)c1ccccc1I 2316170738 LASUGEMJUSAGFN-AWEZNQCLSA-N 455.586 6.396 50 10 JKGE Brc1cc(I)cc(O[C@@H]2C[C@@H](Br)C23CCCC3)c1 2316757901 NWPPEVGOKHMZAT-CHWSQXEVSA-N 485.985 5.529 50 10 JKGE CCCCc1ccc(NC(=O)C(C#N)=CNc2ccc(-c3nc4ccc(C)cc4s3)cc2)cc1 2324473914 DEPUFBJGDUQZRR-UHFFFAOYSA-N 466.610 7.072 50 10 JKGE CC(C)(CBr)CCCNCc1ccc(I)c(Br)c1 2325224346 WGENASBFNBNXNV-UHFFFAOYSA-N 489.033 5.345 50 10 JKGE CCOc1cc(NC(=O)c2ccccc2)c(OCC)cc1NC(=O)C(C#N)=Cc1ccc(OC)cc1 2329614687 HHTFXTXJUKTIMH-UHFFFAOYSA-N 485.540 5.291 50 10 JKGE CCCCCCCCCOc1ccc(C=C(C#N)c2cc3c(cc2[N+](=O)[O-])OCCO3)cc1OCC 2331051557 KWRNJCRNSFXMQI-UHFFFAOYSA-N 494.588 6.958 50 10 JKGE CCCOc1ccc(-c2csc(C(C#N)=C(O)C=Cc3ccc(OC)cc3)n2)cc1OCCC 2331293184 DOGBYKYXSOPCBN-UHFFFAOYSA-N 476.598 6.902 50 10 JKGE Cc1cccc(C)c1OCCCC(O)=C(C#N)c1nc(-c2ccc(Cl)c(Cl)c2)cs1 2331311723 RLNICWPPZOIBMN-UHFFFAOYSA-N 459.398 7.386 50 10 JKGE CCCCCCOc1ccc(C(O)=C(C#N)c2nc(-c3ccc(OCCC)cc3)cs2)cc1 2331318425 JYJJMAWAXBLRCD-UHFFFAOYSA-N 462.615 7.508 50 10 JKGE CCOC(=O)c1ccc(N2C[C@H](C(O)=C(C#N)c3nc(-c4ccc(F)c(C)c4)cs3)CC2=O)cc1 2331320662 RURVTOPRTCWXFU-GOSISDBHSA-N 491.544 5.280 50 10 JKGE COc1ccc(C(C)(C)C)cc1-c1csc(C(C#N)=C(O)COc2cc(Cl)ccc2Cl)n1 2331350745 QOXPJXUWFRNLDT-UHFFFAOYSA-N 489.424 7.295 50 10 JKGE COc1cc(Cl)c(C)cc1-c1csc(C(C#N)=C(O)CCCOc2ccccc2C)n1 2331390094 IDVDXYJNNRVQPA-UHFFFAOYSA-N 454.979 6.741 50 10 JKGE COc1c(C)cc(Cl)cc1-c1csc(C(C#N)=C(O)CCCOc2ccc(Cl)cc2)n1 2331392284 MWHMOCQBBDEYRA-UHFFFAOYSA-N 475.397 7.086 50 10 JKGE COc1cc(C=C(C#N)c2nc(-c3cc(C)cc(C)c3OC)cs2)ccc1OCc1ccc(C)cc1 2331469975 SJDZRYKCJKBIHO-UHFFFAOYSA-N 496.632 7.396 50 10 JKGE Clc1ccc(C[C@@H]2C[C@@H](Br)CC3(CCC3)C2)cc1I 2337274034 FITOPRXSTKRIFS-CHWSQXEVSA-N 453.589 6.221 50 10 JKGE COc1c(Cl)cc(Br)cc1[C@H](Br)c1c(Br)ncn1C 2337316493 CVQLYNDFCBBQPU-VIFPVBQESA-N 473.390 5.091 50 10 JKGE Cc1cc(Br)c(F)c(Br)c1[C@H](Br)[C@H]1CCC2(CC2)C1 2339681664 KNKQOHBQJMBCRF-JOYOIKCWSA-N 455.003 6.675 50 10 JKGE Fc1cc(Br)c(F)c(Br)c1[C@@H](Br)C[C@@H]1C[C@H]1C(F)(F)F 2359749105 DLUWJCYRKCSMLH-JKUQZMGJSA-N 486.898 6.514 50 10 JKGE FC(F)Oc1cccc([C@H](Br)c2ccc(OCc3ccccc3)cc2Br)c1 2361195819 RVKXCSPPLSFXLY-FQEVSTJZSA-N 498.161 7.114 50 10 JKGE COc1c(Br)cc(C)c([C@H](Br)c2cccc(Cl)c2)c1Br 2365189527 VVPIUMWKQKDNQW-CYBMUJFWSA-N 483.425 6.666 50 10 JKGE COc1sc([C@@H](Br)CCc2cc(Cl)cc(Cl)c2)cc1Br 2366793865 JICLSPDYMNOBDZ-NSHDSACASA-N 459.030 6.895 50 10 JKGE CCCCCCOc1ccccc1C(=O)NNC(=O)c1ccc(NC(=O)c2ccccc2C)cc1 14032665 ZUZGIHHBYDEFFF-UHFFFAOYSA-N 473.573 5.281 50 10 JKGE N#C/C(=C(/Nc1ccccc1Cl)SCc1ccccc1F)S(=O)(=O)c1ccccc1 20325225 IJGMMTQLEUUTLO-QURGRASLSA-N 458.967 5.991 50 10 JKGE COc1ccc(/C(C#N)=C\c2cccc(OC(=O)c3ccc(Br)o3)c2)cc1OC 31902934 YLLJFECDZHVRIG-YBEGLDIGSA-N 454.276 5.343 50 10 JKGE N#C/C(=C\c1cn(-c2ccccc2)nc1-c1ccccc1)C(=O)Nc1sc2c(c1C(N)=O)CCCC2 35484937 LVSFOCFZPYLSAK-XDJHFCHBSA-N 493.592 5.124 50 10 JKGE CCCOc1ccccc1C(=O)Oc1ccc2c(c1)OC(N)=C(C#N)[C@H]2c1c(Cl)cccc1Cl 38680045 NTQWNMLGPFWBKO-QHCPKHFHSA-N 495.362 6.220 50 10 JKGE CCCCCOc1ccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)COc4ccccc4)ccc32)cc1 38685300 WTPCIOGJTJUHAY-MUUNZHRXSA-N 484.552 5.458 50 10 JKGE CCCCCOc1ccccc1[C@@H]1C(C#N)=C(N)Oc2cc(OC(=O)COc3ccccc3)ccc21 38686035 LVECSQHFFUMWRJ-NDEPHWFRSA-N 484.552 5.458 50 10 JKGE Cc1cc(C)cc(Oc2nc3ccccn3c(=O)c2/C=C(/C#N)C(=O)Nc2cccc(Cl)c2)c1 39858762 ZFRRMKPIDQDQPA-AQTBWJFISA-N 470.916 5.303 50 10 JKGE COc1cc(/C=N/NC(=O)COc2c(C)ccc(C)c2C)ccc1OCc1ccccc1Cl 40866753 IYJLPHHUBUISEJ-CCVNUDIWSA-N 466.965 5.382 50 10 JKGE Cc1ccccc1SCC(=O)N/N=C1\C(=O)N(Cc2c(Cl)cccc2Cl)c2ccccc21 59153838 FIDXBZVXLBWUCI-NFFVHWSESA-N 484.408 5.461 50 10 JKGE CCOC(=O)c1c(N/C=C(\C#N)c2nc(-c3ccc(OC)cc3)cs2)sc(C(C)=O)c1C 101361674 QMHLAXLBHGAONF-LFIBNONCSA-N 467.572 5.545 50 10 JKGE CCCCCCCCCCCCN1C=C/C(=C/C=C(/C#N)C(=O)ONc2ccccc2)c2ccccc21 102772522 LJVNKJKCJVNXSE-ZDSKVHJSSA-N 497.683 8.345 50 10 JKGE CCOC(=O)c1ccc(NC(=O)/C(C#N)=C\c2ccc(OCc3ccccc3Cl)cc2)cc1 111459018 AOWXYVXQLJIHDJ-QNGOZBTKSA-N 460.917 5.641 50 10 JKGE Clc1cc([C@@H](Br)c2csc(I)c2)sc1Br 127533858 PRGDXSMPBAHUAZ-QMMMGPOBSA-N 498.430 6.314 50 10 JKGE Fc1ccc(Br)cc1COc1ccc(Br)c(CBr)c1 129065155 GIRPKPBLKKDPCO-UHFFFAOYSA-N 452.943 5.825 50 10 JKGE C=C(C[C@@]1(C)CCCc2cc(O[Si](C)(C)C(C)(C)C)ccc21)c1cccc(OC)c1OC 203764522 DCLPMEZANOMCGX-MUUNZHRXSA-N 452.711 7.785 50 10 JKGE CCCCCOc1ccccc1[C@H]1C(C#N)=C(N)Oc2cc(OC(=O)/C=C\c3ccccc3)ccc21 205661630 DEZOMODZBACHCB-BUGILLRGSA-N 480.564 6.093 50 10 JKGE COc1ccc([C@H](Br)c2cc(F)cc(Br)c2)c(OC)c1Br 224861603 HDXDPKGDRUIEFB-CYBMUJFWSA-N 482.969 5.852 50 10 JKGE Clc1sc([C@H](Br)c2ccc(Br)s2)cc1Br 227848453 IKGRWKLBTPJCGB-MRVPVSSYSA-N 451.430 6.472 50 10 JKGE O=[N+]([O-])c1cc(Br)ccc1Oc1ccc(CBr)c(Br)c1 232486945 IGBMFWCFIVIJDZ-UHFFFAOYSA-N 465.923 5.807 50 10 JKGE CCOc1ccc(C)cc1[C@@H](Br)c1ccc(Br)cc1Br 233775719 RAURXRRWGPGZQU-INIZCTEOSA-N 463.007 6.403 50 10 JKGE Cl[C@H](c1cc(Br)sc1Br)c1ccc(Br)c2ccccc12 236038665 SJJYOZFRFQLAOD-AWEZNQCLSA-N 495.461 7.517 50 10 JKGE CCC(=NNC(=O)c1cc(-c2ccc(C(C)(C)C)cc2)nc2ccccc12)c1ccc(Cl)s1 252621809 NHDHCJUSWAYLNT-UHFFFAOYSA-N 476.045 7.458 50 10 JKGE CC(C)Oc1ccccc1-c1cc(C(=O)NN=Cc2cccc([N+](=O)[O-])c2)c2ccccc2n1 252642350 ZLGKNPKZLBXPSD-UHFFFAOYSA-N 454.486 5.361 50 10 JKGE CC(=NNC(=O)CCCOc1ccc(Cl)cc1C)c1ccc(NC(=O)c2ccco2)cc1 254386081 LOEIJTCXLWMMLC-UHFFFAOYSA-N 453.926 5.193 50 10 JKGE Cc1c(C=NNC(=O)COc2ccccc2-c2ccccc2)c2ccccc2n1Cc1ccccc1 254556185 GFQQQVFQJGHRIL-UHFFFAOYSA-N 473.576 6.194 50 10 JKGE C/C(C=NNC(=O)CSc1nnc(SCc2ccc(C)cc2)s1)=C/c1ccccc1 254606504 GZTGKTYLMBIQSR-SWQCHLMMSA-N 454.646 5.436 50 10 JKGE CCOc1cc(C=NNC(=O)CSCc2cccc(Cl)c2)ccc1OCc1ccccc1 254817093 WRDVABILTLUQCQ-UHFFFAOYSA-N 469.006 5.701 50 10 JKGE Cc1cc(C)c([C@H](Br)c2ccc(I)cc2)c(C)c1Br 302290211 CSGFVKNGUKSSJR-MRXNPFEDSA-N 494.008 6.463 50 10 JKGE Fc1cc([C@@H](Cl)c2cc(I)cc3c2OCC3)ccc1Br 312926535 XGBHUFJUPNSOTO-CQSZACIVSA-N 467.503 5.456 50 10 JKGE Fc1cc2nc(CCl)n(C[C@H]3CCCCN3Cc3ccccc3)c2cc1Br 379605890 JDCZYVXNXWPODA-MRXNPFEDSA-N 450.783 5.731 50 10 JKGE Clc1cccc(C(CBr)(CBr)Cc2ccsc2Br)c1 388752669 PLUONJDAPUGSIY-UHFFFAOYSA-N 487.482 6.434 50 10 JKGE COc1cc([C@H](Br)c2cc(Br)sc2Br)cc(OC)c1C 394268545 KODYYMLIXQYPED-ZDUSSCGKSA-N 485.035 6.083 50 10 JKGE C[C@@H](CBr)[C@@H]1CCCCN1C(=O)c1cc(Br)cc(Br)c1 696708271 CECYZMMXKPIDDM-HZMBPMFUSA-N 468.027 5.237 50 10 JKGE Cn1cc(CC(CBr)(CBr)c2ccccc2Cl)c(Br)n1 714090009 VDWMKMIBJMPFQG-UHFFFAOYSA-N 485.445 5.106 50 10 JKGE Cc1ccc(NCCCC(=O)NN=Cc2ccccc2OCc2cccc(Br)c2)cc1 1084032192 VYIFVGRDLKUADY-UHFFFAOYSA-N 480.406 5.679 50 10 JKGE O=C(NN=Cc1cc(Br)ccc1OCc1ccc([N+](=O)[O-])cc1)c1cc2ccccc2o1 1084375842 OAYLVTJNCNOVCO-UHFFFAOYSA-N 494.301 5.446 50 10 JKGE Cc1cccc(NC(=O)/C(C#N)=C\c2cc(Cl)ccc2OCc2cccc(Cl)c2)c1C 1084535333 HKVBPFLMBIHYHH-NDENLUEZSA-N 451.353 6.735 50 10 JKGE Cc1cc(C)c(C(CSc2nc3ccccc3[nH]2)=NNC(=O)c2ccccc2Cl)cc1C 1084555264 RRPPVXLJUNSWGR-UHFFFAOYSA-N 463.006 6.068 50 10 JKGE COC[C@H](C)n1c(C)cc(/C=C(/C#N)C(=O)Nc2nc(-c3c(C)[nH]c4ccccc34)cs2)c1C 1086980408 YKKFEGLXRKZJGP-VBNMEBLOSA-N 473.602 5.771 50 10 JKGE O=P(C(=S)Nc1ccc(Br)cc1Cl)(c1ccccc1)c1ccccc1 1615949657 PNBXJNGFQHUJJD-UHFFFAOYSA-N 450.725 5.813 50 10 JKGE Cc1cc(C)cc(OC(=O)c2oc3c(c2C)C(=NNC(=O)c2ccc(Br)cc2)CCC3)c1 1772743621 GXMQEGNDDBKKRB-UHFFFAOYSA-N 495.373 5.657 50 10 JKGE COc1cc(C=NNC(=O)[C@H](C)Oc2ccc(C(C)(C)C)cc2)ccc1OCc1ccc(C)cc1 1772756006 JLLBEDGTDQCSCZ-NRFANRHFSA-N 474.601 5.798 50 10 JKGE COc1ccc(-c2nn(Cc3ccc(Cl)cc3)c3c2[C@H](c2ccc(O)cc2)C(C#N)=C(N)O3)cc1 1865684580 SIWBCCOFKJQRLG-HSZRJFAPSA-N 484.943 5.184 50 10 JKGE Cn1cc([C@H]2C(C#N)=C(N)Oc3c2c(-c2ccccc2)nn3Cc2ccc(Cl)cc2)c2ccccc21 1865698820 DCYFLPZLGSXHMR-RUZDIDTESA-N 491.982 5.962 50 10 JKGE Cc1ccc(Cn2nc(C)c3c2OC(N)=C(C#N)[C@H]3c2ccc(OCc3ccccc3Cl)cc2)cc1 1865703890 IBJKJZKKLWKBPU-HHHXNRCGSA-N 496.998 5.999 50 10 JKGE CCc1nn(Cc2c(F)cccc2Cl)c2c1[C@H](c1ccccc1OC(C)C)C(C#N)=C(N)O2 1865705414 VFJYTGVQWUWSTL-JOCHJYFZSA-N 466.944 5.292 50 10 JKGE COc1cc([C@H]2C(C#N)=C(N)Oc3c2c(C(F)(F)F)nn3-c2ccc(Cl)cc2)cc(Cl)c1O 1865707402 WGLRFZQLGSYJAG-HNNXBMFYSA-N 497.260 5.130 50 10 JKGE CCCc1ccc(OCC(=O)NNC(=O)c2ccc(-c3ccc(Cl)cc3Cl)nc2C)cc1 1865759450 AWFYCLOQRRMESL-UHFFFAOYSA-N 472.372 5.156 50 10 JKGE Cc1ccc(CC(=O)N/N=C\c2c(C(C)C)nc3c(Cl)cc(C(F)(F)F)cn23)c(C)c1 1865762113 OBVSGCYKGYYGGA-NCAUGAEKSA-N 450.892 5.440 50 10 JKGE CCc1ccc(/C(C)=C/C(=O)N[C@H](C(=O)Nc2ccc(SC#N)cc2)c2ccccc2)cc1 1866683507 GCBYGYKVGJEKOD-GHZVVNKJSA-N 455.583 5.722 50 10 JKGE CC[C@H](C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)Nc1ccc(SC#N)cc1)c1ccc(Cl)cc1 1866951070 QVOCUHRRQNPAIP-ZEQRLZLVSA-N 494.016 5.479 50 10 JKGE CCOc1ccc(-c2nc(Nc3ccc(SC#N)cc3)cc(N3C[C@H](C)Cc4ccccc43)n2)cc1 1868528603 WLRKMVVRDITKBG-HXUWFJFHSA-N 493.636 7.189 50 10 JKGE CCc1ccc(-c2csc(/C(C#N)=C(\O)[C@H](C(C)C)N3C(=O)c4ccccc4C3=O)n2)cc1 1872744363 OPANNSMDOGSEGI-MBDQKHHZSA-N 457.555 5.486 50 10 JKGE N#C/C(=C(/O)c1ccc(N2C(=O)c3ccccc3C2=O)cc1)c1nc(-c2cccc3ccccc23)cs1 1872752727 PMRRQSBQCGQPFS-RFBIWTDZSA-N 499.551 6.714 50 10 JKGE CCCCOc1ccc(/C(O)=C(\C#N)c2nc(-c3c[nH]c4ccccc34)cs2)cc1OCC 1872753264 OQPWDILSJHVGSU-PLRJNAJWSA-N 459.571 6.819 50 10 JKGE COc1c(Cl)cc(-c2csc(/C(C#N)=C(\O)CCCOc3ccccc3C)n2)cc1Cl 1872756197 UKSAVBPESBCTHV-SILNSSARSA-N 475.397 7.086 50 10 JKGE CCOC(=O)Oc1ccc(/C(O)=C(\C#N)c2nc(-c3cc(C(C)(C)C)ccc3C)cs2)cc1 1872756408 ZDGZUULTNAQAED-LNVKXUELSA-N 462.571 6.901 50 10 JKGE COc1ccc(-c2csc(/C(C#N)=C(\O)Cc3ccc(Cl)c(Cl)c3)n2)c2ccccc12 1872758621 IRXLTAFZNYJDJK-PYCFMQQDSA-N 467.377 7.314 50 10 JKGE N#C/C(=C(/O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1)c1nc(-c2cc(Cl)ccc2Cl)cs1 1872758847 SXABOXRACKUQAY-VKAVYKQESA-N 463.258 5.883 50 10 JKGE COc1ccc(-c2csc(/C(C#N)=C(O)/C=C/c3ccc(C(C)(C)C)cc3)n2)c(OC)c1OC 1872759005 ANZYIFUSLMZSBU-GRYUKSPVSA-N 476.598 6.639 50 10 JKGE N#C/C(=C\c1ccccc1OCc1ccccc1Cl)c1nc(-c2ccc([N+](=O)[O-])cc2)cs1 1872784694 WFEPADRVJLCSLN-DEDYPNTBSA-N 473.941 7.015 50 10 JKGE BrCC1(N(Cc2ccccc2)Cc2sccc2I)CCC1 1888199219 XAIFIXKKKRNYMV-UHFFFAOYSA-N 476.221 5.673 50 10 JKGE Cc1cc([C@@H](Br)c2c(Br)cc(F)c(F)c2F)oc1Br 1917604165 NYNOHANDFMJSCO-SECBINFHSA-N 462.885 6.015 50 10 JKGE COC[C@@]1([C@H](Br)c2sc(Br)c(C)c2Br)CCCO1 1922930343 RDYSKJMWJLCGBP-ZYHUDNBSSA-N 463.029 5.213 50 10 JKGE C[C@@H]1CC[C@](C)([C@H](Br)c2c(Br)sc(Br)c2Cl)C1(C)C 1923037438 DDAPSYSGAJSUML-KZJPANMKSA-N 493.530 7.825 50 10 JKGE C[C@H](c1ccncc1Br)[C@H](Br)c1cc(F)ccc1Br 1924040164 NZMYJOVSGWMRSD-CLAHSXSESA-N 451.959 5.985 50 10 JKGE C[C@@H]1CCC[C@H]1[C@H](Cl)c1c(Br)sc(Br)c1Br 1924580430 RRILCKADWPXMJR-KCRUCZTKSA-N 451.449 6.752 50 10 JKGE Clc1ccc(Br)cc1[C@H](Br)c1c(Cl)sc(Cl)c1Cl 1925589284 STPAJGLWGGBGIT-QMMMGPOBSA-N 469.840 7.609 50 10 JKGE Cc1cc(Br)sc1[C@H](Cl)c1cc(Br)sc1Br 1939447439 URQJEKULBRWBAT-MRVPVSSYSA-N 465.457 6.734 50 10 JKGE Cc1c(Br)sc([C@H](Br)C2(Br)CC2)c1Br 1956593271 KZJAYDOXYRQEQY-ZETCQYMHSA-N 467.846 5.945 50 10 JKGE C[C@@]1([C@@H](Cl)c2c(Br)sc(Br)c2Br)COCCO1 2021894716 BCDURBFTUVRNJP-XVKPBYJWSA-N 469.420 5.121 50 10 JKGE Brc1sc([C@@H](Br)c2ccc(OCc3ccccc3)cc2)cc1C1CC1 2033630999 DIWVUSSDPASZKT-FQEVSTJZSA-N 478.249 7.451 50 10 JKGE Cl[C@H](c1ccc(I)cc1)c1cc(C2CC2)c(Br)s1 2033633226 LIKODXWITAHPPD-CYBMUJFWSA-N 453.570 6.321 50 10 JKGE COc1sc([C@@H](Cl)c2cccc(F)c2I)cc1Br 2034643125 UDTONNIKRVWKKM-JTQLQIEISA-N 461.521 5.591 50 10 JKGE C[C@H]1C[C@@H](N(C)c2c(CBr)ccc(Br)c2Cl)CN1Cc1ccccc1 2037329413 SOFGUYGMCLFTBL-WMLDXEAASA-N 486.679 6.097 50 10 JKGE COc1cc(C=C(C#N)C(=O)c2c(C)[nH]c3ccccc23)ccc1OCc1ccccc1Cl 2040446744 KUQCAAUIDDGCIK-UHFFFAOYSA-N 456.929 6.507 50 10 JKGE Cc1c(Br)ccc([C@H](Br)CCCC(F)(F)F)c1Br 2083317467 GQMNNSRQQVVNLU-SNVBAGLBSA-N 452.934 6.689 50 10 JKGE C[C@@H]1[C@H](Br)C[C@H]2CC[C@H]1N2Cc1cccc(Br)c1Br 2092340782 UNOUROQMXQAOBD-WGEPELCKSA-N 452.028 5.348 50 10 JKGE Cc1c(Br)cc(CCl)cc1S(=O)(=O)N(Cc1ccccc1)[C@H](C)C(C)C 2095908136 GFKJWHNODKMVQF-MRXNPFEDSA-N 458.849 5.732 50 10 JKGE Brc1cccc(CN2C[C@@H](Br)C3(CCCC3)C2)c1Br 2117736725 JBCLPNMIVVLEIM-CYBMUJFWSA-N 452.028 5.351 50 10 JKGE CC1(C)CC[C@@H](Br)[C@@H](Cc2cccc(Br)c2Br)CC1 2122931336 VJBZAOSREUIFGV-DGCLKSJQSA-N 453.056 6.734 50 10 JKGE O=S(=O)(c1ccc(Cl)c(CBr)c1Cl)N(Cc1ccccc1)CC1CCC1 2123251419 HMECZMWHGITGLM-UHFFFAOYSA-N 477.251 5.879 50 10 JKGE O=S(=O)(c1cc(CBr)c(Cl)cc1Cl)N(Cc1ccccc1)CC1CCC1 2123252665 SVGWPLZNTBYLFS-UHFFFAOYSA-N 477.251 5.879 50 10 JKGE Cc1cc(Br)c([C@@H](Br)[C@H]2C[C@@H]3CCC[C@@H]3C2)cc1Br 2127057264 WAFWAPHILALUDD-BUWBCJGYSA-N 451.040 6.782 50 10 JKGE CC[C@H]([C@H](Br)c1c(C)c(Br)cc(C)c1Br)C(C)(F)F 2136376690 IGKVZVCCGXKMRL-RNCFNFMXSA-N 462.998 6.946 50 10 JKGE Cc1c(Br)ccc([C@H](Br)[C@@H]2C[C@]2(C)C(F)(F)F)c1Br 2138871322 NHADRKRNECAOLW-UWJYBYFXSA-N 464.945 6.545 50 10 JKGE Cc1cc(C)c(C)c([C@H](Br)c2c(Br)cccc2Br)c1C 2150493857 NJHSXKDQAQYGIX-KRWDZBQOSA-N 461.035 6.930 50 10 JKGE Clc1cc([C@H](Cl)c2c(Br)cccc2Br)c(Cl)c(Cl)c1Cl 2150496290 UAGRZEYWTYIWMH-JTQLQIEISA-N 498.256 8.153 50 10 JKGE CN(Cc1cccc(Br)c1Br)C[C@H](Br)C1CCCCC1 2167654580 YMAHXSWINFRSGT-HNNXBMFYSA-N 468.071 5.987 50 10 JKGE Cc1cc(Br)c([C@H](Br)[C@@H]2[C@H]3CCCC(F)(F)[C@H]32)cc1Br 2170808792 PZSAGVGZIZTGKS-OJICRYGUSA-N 472.993 6.637 50 10 JKGE CCc1cc([C@H](Br)c2cccc(F)c2I)c(F)cc1F 2175392076 REIRDYFRPVRSJO-CQSZACIVSA-N 455.055 5.755 50 10 JKGE Cc1cc(C)c([C@H](Br)c2c(C)nn(C)c2Br)c(C)c1Br 2185752618 VXQXWEUQJOPPIK-AWEZNQCLSA-N 465.027 5.663 50 10 JKGE FC(F)(F)c1cc(Cl)cc([C@@H](Br)c2cc(Cl)c(Br)s2)c1 2200838295 NGBMOIMCZUACOB-SNVBAGLBSA-N 468.947 7.321 50 10 JKGE COc1c(Cl)cc(Br)cc1[C@@H](Br)c1c(Br)c(C)nn1C 2202993611 XOKMUVDTEAMMKJ-LLVKDONJSA-N 487.417 5.400 50 10 JKGE Cc1c(F)ccc([C@@H](Br)c2csc(Br)c2Br)c1F 2223275422 JFMYKQYTAKKMDW-SECBINFHSA-N 460.963 6.344 50 10 JKGE Cc1ccc([C@@H](Cl)c2cc(Br)c(Cl)cc2F)cc1I 2224630566 ULMXTESFGKIPEN-CQSZACIVSA-N 473.938 6.483 50 10 JKGE Cc1cc(Br)c([C@@H](Cl)c2nn(C)c(Cl)c2Br)c(C)c1Cl 2232527831 FQNYIXWPOGUULA-LLVKDONJSA-N 461.412 6.197 50 10 JKGE COC1([C@H](Br)c2sc(Br)cc2Br)CC(CF)C1 2247498415 SSYBXYJISMBLAJ-SIDNPXFCSA-N 450.993 5.474 50 10 JKGE COC[C@]1(C)C[C@@H]1[C@@H](Br)c1c(Br)sc(Br)c1Cl 2248741527 YPARAGQOBQWQKH-REBBBIQUSA-N 467.448 6.035 50 10 JKGE COc1ccc([C@H](Br)c2csc(Br)c2)cc1I 2248887722 UCEPSAKPPLDKBO-LBPRGKRZSA-N 487.982 5.608 50 10 JKGE Cc1cc([C@@H](Cl)Cc2cc(Br)cc(Br)c2)c(Br)s1 2263510420 NVSYYBKQUAKLML-LBPRGKRZSA-N 473.455 6.867 50 10 JKGE FC(F)(F)[C@@H]1C[C@H]1[C@H](Br)Cc1cc(Br)cc(Br)c1 2263524480 IBGFGZSNNIORIV-GMTAPVOTSA-N 450.918 5.716 50 10 JKGE CC1(C[C@@H](Br)c2c(F)cc(Br)c(F)c2Br)CCCC1 2272838566 ABQLHAXNNNUONS-SECBINFHSA-N 460.982 6.896 50 10 JKGE CC(C)[S@@](=O)(=NCCCCCCCBr)[C@H]1CCN(C(=O)OC(C)(C)C)C1 2277441462 AKYFOXIVQMQVHI-QLXKLKPCSA-N 453.487 5.218 50 10 JKGE Cc1cccc([C@H](Br)Cc2ccc(Cl)c(F)c2)c1I 2277790423 GOIWAAJJHQWRSL-GFCCVEGCSA-N 453.520 6.071 50 10 JKGE Cc1sc(Br)c([C@H](Cl)Cc2cc(Br)cc(Br)c2)c1C 2277892708 WGQPRXOREUFOMH-GFCCVEGCSA-N 487.482 7.175 50 10 JKGE FC1(F)CC12CC([C@@H](Br)Cc1cc(Br)cc(Br)c1)C2 2277963065 PDRQQIWKHXCTJK-YHECAPGISA-N 458.966 5.953 50 10 JKGE COc1c(Br)cc(Cl)c(C)c1[C@H](Br)c1ccoc1Br 2277973745 BTOOFFXENNKVRG-LLVKDONJSA-N 473.386 6.259 50 10 JKGE CCOC(=O)c1ccc(-n2c(C)cc(C=C(C#N)C(=O)Nc3ccc(C)c(Cl)c3)c2C)cc1 2294172054 XKUHJHNIHQWCJK-UHFFFAOYSA-N 461.949 5.778 50 10 JKGE N#CC(=Cc1ccccc1OCc1cccc2ccccc12)C(=O)Nc1ccc(Br)cc1 2294187460 SAFCMJIUWCITBM-UHFFFAOYSA-N 483.365 6.727 50 10 JKGE CCOc1cc(C=C(C#N)C(=O)Nc2cccc(C(=O)O)c2)ccc1OCc1ccccc1Cl 2295459732 SLCZMYOUPOPOIZ-UHFFFAOYSA-N 476.916 5.562 50 10 JKGE CCOC(=O)c1c(NC(=O)C(C#N)=Cc2ccc(-c3ccc([N+](=O)[O-])cc3)o2)sc2c1CCCC2 2295971118 YVLSQUXVRILGPI-UHFFFAOYSA-N 491.525 5.517 50 10 JKGE COc1cc(C=C(C#N)C(=O)Nc2ccc([N+](=O)[O-])cc2C)ccc1OCc1ccc(C)cc1 2297399776 IXUTYIQKYLBAAW-UHFFFAOYSA-N 457.486 5.345 50 10 JKGE N#CC(=Cc1cn(CCOc2ccccc2)c2ccccc12)C(=O)Nc1nc2ccccc2s1 2297500325 ALIWXUNJFMBKEH-UHFFFAOYSA-N 464.550 5.876 50 10 JKGE Cc1c([C@@H](Cl)c2sc(Cl)cc2I)nn(C)c1Br 2300992259 AHRQJSSFDWMYDR-SSDOTTSWSA-N 465.969 5.139 50 10 JKGE Cc1ccc(NC(=O)C(C#N)=Cc2ccc(OCc3cccc4ccccc34)c(Br)c2)cc1 2313511109 OIGBCVOWRGPMNM-UHFFFAOYSA-N 497.392 7.035 50 10 JKGE Cc1ccc(NC(=O)C(C#N)=Cc2cc(C)n(-c3ccc(Oc4ccc([N+](=O)[O-])cn4)cc3)c2C)cc1 2313568691 WDMSAAQHCOHIHY-UHFFFAOYSA-N 493.523 6.044 50 10 JKGE Cc1cc(C=C(C#N)C(=O)Nc2cccc(Cl)c2Cl)c(C)n1-c1cc(Cl)ccc1Cl 2313570893 IQHNIQMFHOAYEW-UHFFFAOYSA-N 479.194 7.253 50 10 JKGE COc1cccc(C=C(C#N)C(=O)Nc2cccc(Cl)c2Cl)c1OCc1cccc(Cl)c1 2313630917 HWBZXTLRTKWUHM-UHFFFAOYSA-N 487.770 6.780 50 10 JKGE CCc1ccc(NC(=O)C(C#N)=Cc2cc(Cl)ccc2OCc2ccc(Br)cc2)cc1 2313681216 UVMHYBHPHJYCRV-UHFFFAOYSA-N 495.804 6.790 50 10 JKGE Clc1cccc(C[C@H](Br)c2ccc(OCc3ccccc3)cc2Br)c1 2314500629 PNNSSBUBKZDLLB-FQEVSTJZSA-N 480.627 7.360 50 10 JKGE Cc1ccc(Oc2nc3c(C)cccn3c(=O)c2C=C(C#N)C(=O)Nc2ccc(F)cc2)c(C)c1 2314532850 NHOBHBBGTUNXCX-UHFFFAOYSA-N 468.488 5.097 50 10 JKGE Cc1ccc(NC(=O)C(C#N)=C2S[C@@H](Cc3ccc(C)c(C)c3)C(=O)N2c2ccc(C)c(C)c2)cc1 2314591669 AVLNNSBMXKHZAU-MHZLTWQESA-N 495.648 6.294 50 10 JKGE CC1=C(C#N)C(=O)N(C2CCCCC2)C(=O)C1=Cc1ccc(-c2cc(Cl)ccc2Cl)o1 2314617445 YNAVUZSMBDXTRI-UHFFFAOYSA-N 455.341 6.178 50 10 JKGE CCOc1cc(C=C2C(=O)N([C@@H](C)c3ccccc3)C(=O)C(C#N)=C2C)ccc1OCCC(C)C 2314618926 WWMCPDCTAFCKLX-NRFANRHFSA-N 472.585 5.864 50 10 JKGE Cc1sc(Br)c([C@@H](Br)c2c(Br)nc(C)n2C)c1C 2315598713 QLHHBQICNXGKHG-SECBINFHSA-N 457.029 5.416 50 10 JKGE CCCCOc1ccc(C=NNC(=O)c2ccc3nc(-c4ccccc4)[nH]c3c2)cc1OCC 2318418186 SJEPOXMDUOJIGM-UHFFFAOYSA-N 456.546 5.571 50 10 JKGE COc1cc(C=C(C#N)c2nc3ccccc3s2)cc([N+](=O)[O-])c1OCc1ccc(C)cc1 2323831546 BAZZMNWOLKQPDQ-UHFFFAOYSA-N 457.511 6.165 50 10 JKGE CCOC(=O)c1c(NC(=O)C(C#N)=Cc2ccc(C)cc2)sc(C(=O)OCc2ccccc2)c1C 2329632789 XDLJNYPVRNAWTN-UHFFFAOYSA-N 488.565 5.444 50 10 JKGE COc1ccc(CN2C(=O)c3ccc(C(O)=C(C#N)c4nc(C(C)C)cs4)cc3C2=O)cc1 2331327817 YHYBGBCSFFHBRI-UHFFFAOYSA-N 459.527 5.021 50 10 JKGE COc1cc(OC)c(-c2csc(C(C#N)=C(O)CCCOc3ccc(C)cc3)n2)cc1Cl 2331378638 LJXFPKKMPLMBEK-UHFFFAOYSA-N 470.978 6.441 50 10 JKGE COc1ccc(-c2csc(C(C#N)=C(O)CCCOc3cc(C)c(Cl)c(C)c3)n2)c(OC)c1 2331385574 QCGCLJHTRRNGJJ-UHFFFAOYSA-N 485.005 6.749 50 10 JKGE C=C(CO)[C@@H]1CC[C@@H]2[C@]3(C)CC[C@H]([C@H](C)CCC=C(C)C=O)[C@]3(C)CC[C@]23C[C@]13CCC(=O)O 2333297253 IOFXIXOKOAYADV-MAQVLFJCSA-N 470.694 6.580 50 10 JKGE Fc1cc(C[C@@H](Br)c2cc(Br)ccc2OCc2ccccc2)ccc1Cl 2336079956 WPHXYFWRERUTNN-GOSISDBHSA-N 498.617 7.499 50 10 JKGE Clc1ccc(CC[C@H](Br)CC2CCCCC2)cc1I 2337218485 JCNKWIXDQKROBE-AWEZNQCLSA-N 455.605 6.611 50 10 JKGE CCCc1sc(Br)cc1[C@@H](Br)c1cccc(C)c1Br 2338022444 WNWRAMDQBUTYJJ-HNNXBMFYSA-N 467.064 7.018 50 10 JKGE CCCc1sc(Br)cc1[C@H](Cl)c1cc(Br)ccc1Br 2338023807 LOPDPDRRIKOTSC-CQSZACIVSA-N 487.482 7.316 50 10 JKGE COc1c(Br)cc(C)c([C@H](Br)C2C[C@@H]3C[C@H]3C2)c1Br 2339650276 DMFQVCYRMBCJPY-MWODSPESSA-N 453.012 6.011 50 10 JKGE Cc1cc(Br)c(F)c(Br)c1[C@H](Br)[C@@H](C)CC(F)(F)F 2339676660 AELSAHQCFHVOND-IMTBSYHQSA-N 470.924 6.684 50 10 JKGE Fc1ccc([C@@H](Br)CCc2ccc(I)c(Br)c2)cc1 2349839178 ZLVYMNSZPUADLG-ZDUSSCGKSA-N 497.971 6.262 50 10 JKGE Cc1cccc([C@@H](Cl)c2c(Cl)cc(Br)c(F)c2Br)c1Cl 2362236409 CEMKUDTUAPPWLP-CYBMUJFWSA-N 461.383 7.294 50 10 JKGE Cc1cc(Br)c(F)c(Br)c1[C@@H](Cl)Cc1cccc(Br)c1 2365175975 LWPZGZFZIJOVLV-LBPRGKRZSA-N 485.416 6.944 50 10 JKGE Cc1cc(Br)c(F)c(Br)c1[C@H](Br)c1cccc(Cl)c1F 2365215865 OEFGKAJYLFOCJJ-LLVKDONJSA-N 489.379 6.936 50 10 JKGE COc1cc(OC)c([C@H](Br)c2csc(C)c2Br)cc1Br 2369593335 FDJKBFHKOYYFKT-AWEZNQCLSA-N 485.035 6.083 50 10 JKGE BrCc1cc(Br)c(O[C@@H]2CCC[C@H]3CCO[C@H]32)c(Br)c1 2380396345 UJJSBZICAXMFDI-ZLKJLUDKSA-N 469.011 5.443 50 10 JKGE CCOC(=O)c1c(NC(=O)/C(C#N)=C/c2ccccc2OC)sc(C)c1-c1ccc([N+](=O)[O-])cc1 1974912 KOAFSFYZQOOQKR-QGOAFFKASA-N 491.525 5.363 50 10 JKGE CC(C)(C)[C@@H]1CCc2c(C(=O)N/N=C/c3cn(Cc4ccccc4)c4ccccc34)csc2C1 2113207 GNKJTAIDPKPGPC-ZVSHRJSOSA-N 469.654 6.666 50 10 JKGE O=C(N/N=C/c1ccc(Cl)cc1Cl)c1ccc(N2C(=O)CS[C@H]2c2ccccc2)cc1 3657369 UVPSXQBCBDUQBT-LBWPQLDNSA-N 470.381 5.536 50 10 JKGE CC[C@H](C)c1ccc(OCC(=O)NNC(=O)[C@@H](C)Oc2ccc3ccccc3c2)c(Br)c1 14832355 GBRPKVRTVAIGKQ-DLBZAZTESA-N 499.405 5.110 50 10 JKGE CC[C@H](Oc1ccc2ccccc2c1Br)C(=O)N/N=C/c1ccc(Cl)c([N+](=O)[O-])c1 20572881 LDJZYBYUFBEDLL-AMAFCZHPSA-N 490.741 5.472 50 10 JKGE COc1cc(/C=C(/C#N)c2ccccc2OC)ccc1OC(=O)c1cc(OC)c(OC)c(OC)c1 31901948 YIZNANVOGYGWML-UNOMPAQXSA-N 475.497 5.013 50 10 JKGE CCOc1cc(/C=C(/C#N)C(=O)Nc2ccccc2F)ccc1OC(=O)c1cccc2ccccc12 33406721 ZDUYBAISHSNIQL-PGMHBOJBSA-N 480.495 6.142 50 10 JKGE Cc1ccc(NC(=O)/C(C#N)=C\c2c(Oc3ccc(C)cc3C)nc3c(C)cccn3c2=O)cc1 33681693 GAUPBPYOUBPREB-QNGOZBTKSA-N 464.525 5.266 50 10 JKGE N#C/C(=C/c1c(-c2ccc(Cl)cc2)nc2sc3c(n12)CCCC3)c1ccc(Cl)c(Cl)c1 34380386 HVGDKJKWWSKUGZ-VBKFSLOCSA-N 484.839 7.966 50 10 JKGE CCCCCOc1ccc(C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@H]3c2ccccc2OCC)cc1 38650508 ABGNLBSUXPAVSY-NDEPHWFRSA-N 498.579 6.092 50 10 JKGE CCCCOc1ccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4ccc(C)cc4)ccc32)cc1 38650743 UEOVAUKNOJEDAQ-AREMUKBSSA-N 454.526 5.611 50 10 JKGE N#CC1=C(N)Oc2cc(OC(=O)c3cccc4ccccc34)ccc2[C@H]1c1cccc2ccccc12 38657848 KNGUXEDTWXHZJM-GDLZYMKVSA-N 468.512 6.430 50 10 JKGE CCCCCOc1cccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4cccc([N+](=O)[O-])c4)ccc32)c1 40530149 MQPWEVBHLIONGS-SANMLTNESA-N 499.523 5.601 50 10 JKGE Cc1c(C(=O)N(Cc2ccccc2)Cc2ccccc2)oc2c1/C(=N/NC(=O)c1ccccc1)CCC2 40804123 LOWVBNHWAIYPFW-HMZBKAONSA-N 491.591 5.901 50 10 JKGE Cc1c(C(=O)N2c3ccccc3C[C@H]2C)oc2c1/C(=N/NC(=O)c1ccccc1Cl)CCC2 40812624 FWKSQACGRGJLPB-WVZIWNLSSA-N 461.949 5.303 50 10 JKGE CCCOc1c(I)cc(/C=C(\C#N)C(=O)Nc2ccccc2C)cc1OCC 59474967 HRTYVXPBGYPVIU-GZTJUZNOSA-N 490.341 5.333 50 10 JKGE COc1ccc(/C=C/C(=N\NC(=O)C(O)(c2ccccc2)c2ccccc2)c2ccc(OC)cc2)cc1 59501994 QLPSPVBRMMCKIP-MVQLQHABSA-N 492.575 5.174 50 10 JKGE FC(F)(F)C(F)(F)[C@H](Br)c1cc(Br)sc1Br 71101392 CSIMECAZISIAMU-SCSAIBSYSA-N 452.862 5.907 50 10 JKGE Cc1ccc(NC(=O)/C(C#N)=C/c2ccc(F)cc2)cc1Nc1nccc(-c2cccnc2)n1 91351700 RXTWZFAKLXZQPP-DEDYPNTBSA-N 450.477 5.275 50 10 JKGE CCCOC(=O)c1ccc(NC(=O)[C@H](Br)[C@H](Br)c2ccccc2)cc1 101643408 MXPBYFIBBGEFSV-IAGOWNOFSA-N 469.173 5.092 50 10 JKGE COC(=O)c1c(N/C=C(\C#N)c2nc(-c3cc4ccccc4oc3=O)cs2)sc(C)c1C 102620918 DVOORMDWFREVRI-XNTDXEJSSA-N 463.540 5.358 50 10 JKGE Cc1cccc(C)c1N/C(SCc1cccc(Cl)c1)=C(\C#N)S(=O)(=O)c1ccccc1 104688869 JAEZQYGHBYSGSX-GYHWCHFESA-N 469.031 6.469 50 10 JKGE Fc1ccc(Cl)c(CC(CBr)(CBr)c2cccc(Cl)c2)c1 126232435 GAMZPQHIZWPLAM-UHFFFAOYSA-N 454.992 6.403 50 10 JKGE Cc1cc(Br)c([C@@H](Br)C2C3CC4CC(C3)CC2C4)cc1Br 128836341 YAZPMAPRGHQDJQ-DRMLLWPBSA-N 477.078 7.028 50 10 JKGE COc1cc(Br)ccc1[C@H](Cl)c1cc(Br)sc1Br 135307463 YALKWKLHTDVSME-NSHDSACASA-N 475.427 6.372 50 10 JKGE FC(F)(F)c1ccc(Br)c([C@@H](Br)Cc2cccc(Br)c2)c1 159878234 WRPQMTSYQLMASP-AWEZNQCLSA-N 486.951 6.909 50 10 JKGE Cc1ccc(C(CBr)(CBr)Cc2ccc(Br)cc2Cl)cc1 168967835 KOOZLIOBCNRREX-UHFFFAOYSA-N 495.480 6.681 50 10 JKGE C=CCN1C(=O)C(c2ccc(N(CCCC)CCCc3ccccc3)cc2)=C(C#N)C1=C(C#N)C#N 204919226 WNBYWGWIDJWHGG-UHFFFAOYSA-N 475.596 5.533 50 10 JKGE CCCCCN1C(=O)C(C#N)=C(C)/C(=C/c2cn(-c3ccccc3)nc2-c2ccc(OC)c(F)c2)C1=O 214232977 FWMWRXFZDHZJED-HAHDFKILSA-N 498.558 5.469 50 10 JKGE Fc1cc(Br)cc(Oc2cc(Br)ccc2CBr)c1F 220075196 KFZUFJNNAXRZHY-UHFFFAOYSA-N 456.906 6.177 50 10 JKGE COc1ccc(F)cc1[C@@H](Br)c1cc(Br)ccc1I 234877675 DCMIPUPFWAPEIT-AWEZNQCLSA-N 499.943 5.686 50 10 JKGE Cc1cc([C@H](Br)c2cc(Br)sc2Br)c(Cl)cc1F 235857746 LRZAZJNNWDBHHO-NSHDSACASA-N 477.418 6.858 50 10 JKGE CC(/C=C\c1ccccc1)=NNC(=O)CCCCCCC(=O)NN=C(C)/C=C\c1ccccc1 254481703 IBVRVFSLMRAXPQ-JHOIGGOLSA-N 458.606 5.738 50 10 JKGE O=C(COc1ccc(OCc2ccccc2)cc1)NN=Cc1cccc(OCc2ccccc2)c1 254491668 DKQMAAQREQOZCK-UHFFFAOYSA-N 466.537 5.374 50 10 JKGE CCCOc1ccc(C=NNC(=O)CCCCCCC(=O)NN=Cc2ccc(OCCC)cc2)cc1 254594517 VFOFRRUIVZNBAR-UHFFFAOYSA-N 494.636 5.205 50 10 JKGE CCCCCCCCCCCCCC(=O)NN=Cc1c[nH]nc1-c1ccc(OC)c(OC)c1 254817391 VKHNNYGKNIIORU-UHFFFAOYSA-N 456.631 6.245 50 10 JKGE CCn1c2ccccc2c2cc(NC(=O)[C@@]34CC[C@@](C)(C(=O)[C@H]3Br)C4(C)C)ccc21 256019394 YQWWUZRVNSEASF-DCEDVJGZSA-N 467.407 5.912 50 10 JKGE O=C(Nc1ccc(I)c(Br)c1)c1cccc(CCl)c1 302411723 POIDIEZZAGOHDN-UHFFFAOYSA-N 450.501 5.045 50 10 JKGE Fc1cc(Br)c(Cl)cc1[C@@H](Br)c1ccccc1OCc1ccccc1 310841563 HRYYMOKKDMEZFM-FQEVSTJZSA-N 484.590 7.305 50 10 JKGE FC(F)(F)c1csc([C@@H](Cl)c2ccc(OCc3ccccc3)cc2)c1Br 311780530 XFCSBMBRQGTYDH-KRWDZBQOSA-N 461.730 7.437 50 10 JKGE COc1ccc([C@H]2CN(Cc3ccccc3)C[C@@H]2CI)cc1Br 382691686 OIIZJLVVJXJCOW-DLBZAZTESA-N 486.191 5.108 50 10 JKGE CN(C[C@H]1CCN(Cc2ccccc2)C1)c1ccc(CBr)cc1Br 383119353 FHEANQVSBUYFLM-GOSISDBHSA-N 452.234 5.302 50 10 JKGE Cl[C@H](c1cc(Br)ccc1Br)c1ccccc1OCc1ccccc1 383604178 RAVJHADVKDHWQO-FQEVSTJZSA-N 466.600 7.119 50 10 JKGE CC(C)(C)OC(=O)N1C[C@H](c2ccc(CO[Si](C)(C)C(C)(C)C)cc2)Nc2ccccc21 616681528 WZDNRYHIHZSMOF-JOCHJYFZSA-N 454.687 7.117 50 10 JKGE Fc1ccc([C@@H](Br)c2ccc(F)c(Cl)c2F)c(I)c1 689647894 ATTGYSOGODROEV-LLVKDONJSA-N 461.446 5.846 50 10 JKGE Fc1ccc(Br)c([C@H](Br)c2ccc(F)c(Br)c2F)c1 691638075 YBLIXQDCYPNCNI-LLVKDONJSA-N 458.897 6.113 50 10 JKGE Cn1c(Cl)cnc1COc1c(Br)cc(CBr)cc1Br 700195133 BFBKEEHLIFIZMG-UHFFFAOYSA-N 473.390 5.072 50 10 JKGE CO[C@@](C)(COCc1ccccc1)Cn1c([C@@H](C)Cl)nc2cc(I)ccc21 702782194 BUKVTLABGSCUSV-QVKFZJNVSA-N 498.792 5.563 50 10 JKGE Brc1csc([C@@H](Br)c2ccc3c(c2)OCCCO3)c1Br 705464222 MPRXPSLWRXONSO-LBPRGKRZSA-N 483.019 5.919 50 10 JKGE FC(F)(F)c1cc([C@@H](Br)c2cc(Br)ccc2Br)cs1 718849600 ZIMLUDNKRLGCPV-LLVKDONJSA-N 478.953 6.776 50 10 JKGE Cc1ccccc1C(=O)Nc1ccc(C(=O)NN=Cc2c3ccccc3cc3ccccc23)cc1 1081168677 DPFKQBCACBLQBO-UHFFFAOYSA-N 457.533 6.318 50 10 JKGE O=C(NN=Cc1cn(Cc2ccc(F)cc2)c2ccccc12)c1cc2cc(Br)ccc2o1 1083906052 DHFVCXGTNBJUQI-UHFFFAOYSA-N 490.332 6.101 50 10 JKGE O=C(NN=C(/C=C\c1ccccc1)/C=C/c1ccccc1)c1cccc(I)c1 1083946200 RMFRCWOFIFROFC-QWJFXRNLSA-N 478.333 5.804 50 10 JKGE Cc1cc(/C=C(\C#N)C(=O)Nc2ccc(Cl)cc2)c(C)n1-c1ccc(C(=O)O)c(Cl)c1 1083997313 OGKRBBZVUSDFLS-MHWRWJLKSA-N 454.313 5.645 50 10 JKGE Cc1ccsc1C=NNC(=O)COc1ccc2cc(Br)ccc2c1Br 1084110621 IFYSPTVMPZHCST-UHFFFAOYSA-N 482.197 5.264 50 10 JKGE Cc1cc(C=NNC(=O)CSCc2ccccc2)c(C)n1-c1ccc(Br)cc1 1084123268 WOMIXUOXZKYMOI-UHFFFAOYSA-N 456.409 5.240 50 10 JKGE COc1ccccc1NC(=O)/C(C#N)=C\c1cc(Br)ccc1OCc1ccccc1 1084623877 IYIUCESQEFIJMP-UYRXBGFRSA-N 463.331 5.582 50 10 JKGE ClCc1cc(-c2cccc(I)c2)nn1-c1ccc(Br)cc1 1614820666 FAAWATFFAOPGRB-UHFFFAOYSA-N 473.539 5.645 50 10 JKGE CCCc1nn(Cc2cc(C)ccc2C)c2c1[C@@H](c1ccc(C(C)(C)C)cc1)C(C#N)=C(N)O2 1865682881 ZLVZFFGLDZNTPR-VWLOTQADSA-N 454.618 6.016 50 10 JKGE N#CC1=C(N)Oc2c(c(-c3ccccc3)nn2Cc2c(F)cccc2Cl)[C@@H]1c1ccc(Cl)cc1 1865683110 GBTGMQGWQUDIDB-JOCHJYFZSA-N 491.353 6.262 50 10 JKGE Cc1ccc(Cn2nc(-c3ccccc3)c3c2OC(N)=C(C#N)[C@H]3c2c(Cl)cccc2Cl)cc1 1865686767 ZYAKPVVEBPZLKP-QFIPXVFZSA-N 487.390 6.432 50 10 JKGE CCCOc1ccc([C@@H]2C(C#N)=C(N)Oc3c2c(CCC)nn3-c2ccccc2Cl)cc1OCC 1865688727 ZEKASTACPLRVIV-XMMPIXPASA-N 493.007 5.884 50 10 JKGE CCOc1cccc([C@H]2C(C#N)=C(N)Oc3c2c(C(F)(F)F)nn3Cc2ccc(Cl)cc2)c1 1865690505 SYPIJGGLTCOUAM-SFHVURJKSA-N 474.870 5.220 50 10 JKGE Cn1cc([C@H]2C(C#N)=C(N)Oc3c2c(-c2ccccc2)nn3-c2ccc(Cl)cc2)c2ccccc21 1865699389 SJBNSDQFAFNHCJ-XMMPIXPASA-N 477.955 5.903 50 10 JKGE N#CC1=C(N)Oc2c(c(-c3ccccc3)nn2-c2ccc(Cl)cc2)[C@H]1c1c[nH]c2ccccc12 1865700198 MUVHGEVNUJJKOD-HSZRJFAPSA-N 463.928 5.892 50 10 JKGE Cc1cccc([C@H]2C(C#N)=C(N)Oc3c2c(C(F)(F)F)nn3Cc2ccc(Cl)c(Cl)c2)c1 1865711012 NYYRZQDFCPCVDB-KRWDZBQOSA-N 479.289 5.784 50 10 JKGE CCCCc1ccc(-c2csc(/C(C#N)=C(\O)CCCOc3ccc(Cl)cc3)n2)cc1 1872744826 JUWAQHCVNDNIDD-GYHWCHFESA-N 453.007 7.458 50 10 JKGE COc1ccc(OC)c(/C=C/C(O)=C(\C#N)c2nc(-c3ccc(OC)c(OC)c3)cs2)c1 1872745454 NNIQZNFNQHSNIH-MBHKSPPESA-N 450.516 5.351 50 10 JKGE N#C/C(=C(/O)CCCOc1ccc(Cl)cc1Cl)c1nc(-c2cccc3ccccc23)cs1 1872752081 MMIVKACYTBDCKR-ATJXCDBQSA-N 481.404 7.922 50 10 JKGE COc1cc(/C=C/C(O)=C(\C#N)c2nc(-c3c(C)c(C)cc(C)c3C)cs2)ccc1OC(C)=O 1872754329 NNFUQFBCFWTOKO-VRPDZLECSA-N 474.582 6.484 50 10 JKGE COc1cc(OC)c(-c2csc(/C(C#N)=C(\O)Cc3ccc(OC)c(OC)c3)n2)cc1Cl 1872756110 DBUHZYROIDIRKX-SDXDJHTJSA-N 472.950 5.533 50 10 JKGE C=CCOc1ccccc1OC/C(O)=C(\C#N)c1nc(-c2ccc(OC)c(OC)c2OC)cs1 1872759195 GZIQYWRZQFQCKE-ZPHPHTNESA-N 480.542 5.272 50 10 JKGE CCCOc1ccc(-c2csc([C@@H](C#N)C(=O)/C(C#N)=C/c3ccccc3)n2)cc1OCCC 1872766338 FQYPQYZXIPKAFX-AMUNLKFJSA-N 471.582 6.171 50 10 JKGE CC(C)(C)c1ccc(C(=O)NC/C(O)=C(\C#N)c2nc(-c3ccc(F)cc3F)cs2)cc1 1872817947 FARYCQWEJHEINB-UZYVYHOESA-N 453.514 5.608 50 10 JKGE CCCOc1ccc(-c2csc(/C(C#N)=C(\O)c3cccc(OC)c3)n2)cc1OCCC 1872818130 NZKOFJAVYBAOPY-GFMRDNFCSA-N 450.560 6.346 50 10 JKGE BrCc1cc(Br)cc(Br)c1OCC12CCC(CC1)O2 1876582108 JUUDAHYXEQKKPR-UHFFFAOYSA-N 454.984 5.197 50 10 JKGE BrCC(CBr)(C[C@]12C[C@H](CO1)C2)c1ccc(Br)cc1 1879859516 FBIJNQLNBFTPDV-WGRBQBNCSA-N 453.012 5.046 50 10 JKGE Cl[C@@H](c1ccc(OCc2ccccc2)cc1Br)c1ccoc1Br 1899862393 UDRHDZFJUAPQFY-KRWDZBQOSA-N 456.561 6.712 50 10 JKGE CCOc1ccc([C@H](Br)c2c(C)nsc2Br)cc1Br 1912976933 VYGCDQQDBMOXTL-LBPRGKRZSA-N 470.024 5.860 50 10 JKGE Cc1c(Br)sc([C@H](Br)C[C@H]2CCCOCC2)c1Br 1922930004 NZFCSAZJHZTPHM-VHSXEESVSA-N 461.057 6.224 50 10 JKGE Clc1ccc(Cl)c([C@H](Cl)c2c(Br)sc(Br)c2Cl)c1 1923039608 PRVQMSHNHBFNLJ-QMMMGPOBSA-N 469.840 7.562 50 10 JKGE CCO[C@@H]1C[C@@H]1[C@@H](Br)c1c(Br)sc(Br)c1Cl 1923050596 XICDJZGNWUPADX-HBPOCXIASA-N 453.421 5.788 50 10 JKGE Cc1c([C@H](Cl)c2sc(Br)cc2Br)nn(C)c1Br 2002829735 UPROMJXQTCSFJH-ZETCQYMHSA-N 463.420 5.406 50 10 JKGE CC(C)(C)OC(=O)N1CCC[C@@](CI)(OC[C@H]2CC23CCCCC3)C1 2077648815 KHJILBHQJJRLGO-UZLBHIALSA-N 463.400 5.178 50 10 JKGE CCCC[C@@H](C)CC[C@@H](Br)c1sc(Br)c(C)c1Br 2086056975 LXRUIODQRSAFKZ-MWLCHTKSSA-N 461.101 7.624 50 10 JKGE Fc1cc(CBr)cc(OCc2ccc(Br)cc2Br)c1 2092264118 BRIPIJALEDHWLI-UHFFFAOYSA-N 452.943 5.825 50 10 JKGE O=C(Nc1cccc(CCBr)c1)c1csc(Br)c1Br 2093941917 FYBISWXFADWVGA-UHFFFAOYSA-N 468.008 5.463 50 10 JKGE C[C@@H](CCC(CBr)(CBr)c1cccc(Br)c1)C(F)F 2101519930 AQPUGSOHPBUNIX-JTQLQIEISA-N 462.998 6.158 50 10 JKGE BrC[C@@H](NCc1cc(Br)ccc1Br)C1CCCCC1 2118519726 NCBMEAITCNXPRR-OAHLLOKOSA-N 454.044 5.645 50 10 JKGE Cc1sc(CBr)cc1S(=O)(=O)N(Cc1ccccc1)[C@@H](C)c1cccs1 2123242541 XWTFBZHUHOTLPB-AWEZNQCLSA-N 470.479 5.965 50 10 JKGE Cc1cc(Br)c([C@@H](Br)C2(CC3CCC3)CC2)cc1Br 2133419886 UZRKDEDGJIIQDS-OAHLLOKOSA-N 451.040 6.926 50 10 JKGE Cc1cc(Br)c(C)c([C@H](Br)C2(C(C)C)CCC2)c1Br 2136382284 QEIRZDDUVYWZCW-HNNXBMFYSA-N 453.056 7.091 50 10 JKGE Fc1cc(Br)c([C@H](Cl)c2ccc(OCc3ccccc3)cc2)c(F)c1Cl 2136953563 CCVXUYYYINPORD-GOSISDBHSA-N 458.129 7.288 50 10 JKGE Cc1cc(Cl)c(Br)cc1[C@@H](Br)c1cccc(F)c1Br 2137643181 PNUFIFCYGPKEFJ-ZDUSSCGKSA-N 471.389 6.797 50 10 JKGE Cc1c(Br)ccc([C@H](Br)[C@@H]2CC23CC(F)(F)C3)c1Br 2138850712 IAVOWDXOSWCKMT-CABZTGNLSA-N 458.966 6.391 50 10 JKGE Cc1c(Br)ccc([C@@H](Br)C2(F)CC3(CCC3)C2)c1Br 2138854262 SHGAQFGOQMEZJL-CYBMUJFWSA-N 455.003 6.628 50 10 JKGE Cc1c(Br)ccc([C@H](Br)C[C@H]2CC(C)(C)CO2)c1Br 2138861097 GBJKAOFXRZVSOO-GXFFZTMASA-N 455.028 6.161 50 10 JKGE C[C@@]1([C@H](Br)c2ccc(Br)cc2Br)CCCCC1(F)F 2138873644 QMRBIQWXHSCKRG-OLZOCXBDSA-N 460.982 6.863 50 10 JKGE Cc1c(Br)ccc([C@H](Br)Cc2cccc(F)c2)c1Br 2138876696 SGYNSOSKHHLZMG-CQSZACIVSA-N 450.971 6.338 50 10 JKGE C[C@@]1(F)CN(c2c(CBr)ccc(Br)c2Cl)C[C@@]1(C)Br 2140745117 YJXOGDUVZQAVIV-CHWSQXEVSA-N 478.425 5.699 50 10 JKGE C[C@@H]1Cc2cc([C@@H](Br)c3ccccc3Br)cc(Br)c2O1 2146629497 RORDWEQTFDFQCW-RFAUZJTJSA-N 460.991 6.019 50 10 JKGE CC(C)(C)OC(=O)NCC[C@@H](N(C[C@@H](CBr)C(C)(C)C)C1CC1)C(F)(F)F 2163063693 QXFMOUYFQGLVJG-UKRRQHHQSA-N 459.391 5.354 50 10 JKGE CCc1cc([C@@H](Br)c2ccc(F)cc2I)c(F)cc1F 2175376608 VDHNFKOSCOENHW-HNNXBMFYSA-N 455.055 5.755 50 10 JKGE Br[C@H](c1ccc(-c2ccccc2)cc1)c1cc(I)sn1 2176535482 AMUVZYXRMSCAML-MRXNPFEDSA-N 456.146 5.899 50 10 JKGE Cc1cc([C@H](Br)c2ccc(Br)c(C)c2Br)c(F)cc1F 2203684794 KRZNGRYMKLYSRX-OAHLLOKOSA-N 468.961 6.591 50 10 JKGE Cc1cc(C)c(C)c([C@H](Br)c2ccc(Br)c(C)c2Br)c1 2203689033 WYHJXIZUQBQWSE-QGZVFWFLSA-N 461.035 6.930 50 10 JKGE COc1c(Br)cc(C)cc1[C@@H](Br)c1cccc(C)c1Br 2203824354 NRPVTGHBBNVQHQ-HNNXBMFYSA-N 463.007 6.321 50 10 JKGE Fc1cc(Br)c(Br)c2c1CC[C@H](C(F)F)C[C@@H]2Br 2218604826 ZYKAEWNYEQMDKY-FSPLSTOPSA-N 450.918 6.004 50 10 JKGE Cc1c(Br)sc([C@@H](Br)c2cc(F)cc(Br)c2)c1C 2218790686 NEOGWCIFVQEUBN-NSHDSACASA-N 457.000 6.513 50 10 JKGE Fc1cc([C@H](Cl)c2cc(Br)c(Br)cc2F)ccc1Br 2225632932 GJCZCHTZJJRMJT-ZDUSSCGKSA-N 475.352 6.581 50 10 JKGE COc1csc([C@H](Br)c2c(Br)cc(C)c(Br)c2C)c1 2227353133 SAFSWMNKUNMBBM-AWEZNQCLSA-N 469.036 6.383 50 10 JKGE COc1cc(Br)c([C@@H](Br)c2ccc(OCc3ccccc3)cc2)cc1C 2227723423 JHXQGTDERPSEAE-QFIPXVFZSA-N 476.208 6.829 50 10 JKGE Cc1cc(Br)c([C@H](Br)c2c(C)cc(C)c(Br)c2C)s1 2229326181 SMTYIQDGMQVQOZ-CQSZACIVSA-N 467.064 6.991 50 10 JKGE Fc1cc([C@H](Br)c2ccc3c(c2Br)CCO3)ccc1Br 2238082918 SXZCRUUUNZXLIO-AWEZNQCLSA-N 464.954 5.770 50 10 JKGE Clc1cccc([C@@H](Cl)c2sc(Br)cc2Br)c1Br 2248090401 GTJKLASIBGACQU-SNVBAGLBSA-N 479.846 7.017 50 10 JKGE CCN(C[C@@](C)(CI)OCC[C@H]1CCCC12CC2)C(=O)OC(C)(C)C 2255319342 DCTSABDIXQDEHK-VQIMIIECSA-N 465.416 5.424 50 10 JKGE Fc1cc(Br)c(F)c(Br)c1[C@H](Cl)c1ccoc1Br 2260072609 AXDYALGTTAQVQP-SECBINFHSA-N 465.313 6.174 50 10 JKGE CS(=O)(=O)c1cscc1[C@H](Cl)c1sc(Br)cc1Br 2260091458 JYVPQBJWJXRTRY-VIFPVBQESA-N 450.626 5.066 50 10 JKGE Cc1cc(Br)c([C@@H](Br)C[C@H]2CCCC23CC3)cc1Br 2266625364 ADDFXALKURYVGO-ABAIWWIYSA-N 451.040 6.926 50 10 JKGE FC[C@]12C[C@]([C@H](Br)Cc3cc(Br)cc(Br)c3)(CO1)C2 2277956866 QYDGFGSMJMRQTR-MGPQQGTHSA-N 456.975 5.036 50 10 JKGE Clc1cc(Br)ccc1[C@H](Cl)c1cc2sc(Br)cc2s1 2278026376 MNSLHLUOHZZWOX-ZDUSSCGKSA-N 457.039 7.469 50 10 JKGE Brc1ccc(CN2C[C@H](Br)C[C@@H]3CCCC[C@H]32)c(Br)c1 2279526937 BIFRJNBZVLBJRY-SGIREYDYSA-N 466.055 5.740 50 10 JKGE COc1ccc([C@@H](Br)c2cc(Br)c(F)cc2C)cc1Br 2285938526 DDHYIRWYZGENJD-OAHLLOKOSA-N 466.970 6.152 50 10 JKGE N#CC(=Cc1ccc(-c2ccc([N+](=O)[O-])cc2Cl)o1)C(=O)Nc1cccc(Br)c1 2293038605 NXESINXGXOWQCV-UHFFFAOYSA-N 472.682 5.816 50 10 JKGE CCCCOc1ccc(C=C(C#N)C(=O)Nc2ncc(Cc3ccc(C)c(Cl)c3)s2)cc1OC 2293038774 YQWJDCICQROBGH-UHFFFAOYSA-N 496.032 6.429 50 10 JKGE CCc1ccc(NC(=O)C(C#N)=Cc2cc(C)n(-c3cccc(I)c3)c2C)cc1 2294193144 XUJXYUOTIFIJOO-UHFFFAOYSA-N 495.364 5.807 50 10 JKGE Cc1cc(Br)c([C@@H](Br)c2ccc(C(F)(F)F)s2)cc1Br 2295255843 FIGLYRXMIHDAFI-GFCCVEGCSA-N 492.980 7.085 50 10 JKGE COc1c(Br)cc(Cl)c(C)c1[C@H](Br)c1cc(C)c(Br)o1 2295264929 LIKKTKODAUMWKA-GFCCVEGCSA-N 487.413 6.568 50 10 JKGE FC(F)(F)[C@@H]1CCO[C@H]1[C@H](Br)c1cc2sc(Br)cc2s1 2295414511 PGWMSAOYTXHCCX-ZFFXRTFHSA-N 450.139 6.129 50 10 JKGE Cc1ccccc1NC(=O)C(C#N)=C1S[C@H](Cc2ccc(F)cc2)C(=O)N1c1ccccc1 2296507243 ZMEZSCFCYVUKLR-HSZRJFAPSA-N 457.530 5.199 50 10 JKGE N#CC(=Cc1ccc(OCc2ccc(Cl)cc2Cl)cc1)C(=O)Nc1nc2ccccc2s1 2297500328 AZWSHPVRBKQIOS-UHFFFAOYSA-N 480.376 6.728 50 10 JKGE Cc1ccc(C(C)C)c(OCCn2cc(C=C(C#N)C(=O)NCc3ccco3)c3ccccc32)c1 2297556002 DWIZRVFIWXTTQQ-UHFFFAOYSA-N 467.569 5.969 50 10 JKGE Cc1c(Br)sc([C@@H](Br)[C@@H]2[C@@H]3[C@H]2CCC3(F)F)c1Br 2309458260 CQKOSWPRMOBPCQ-AZRUVXNYSA-N 464.995 6.309 50 10 JKGE CCc1ccc(NC(=O)C(C#N)=Cc2cccc(OCc3ccc(Br)cc3)c2)cc1 2313724529 FQBQTSCSWRGLIY-UHFFFAOYSA-N 461.359 6.136 50 10 JKGE C[C@@H](C1CCCCC1)[C@@H](Br)c1cc(Br)ccc1OCc1ccccc1 2314456417 WXUVLQCYWIWHJX-KSFYIVLOSA-N 466.257 7.681 50 10 JKGE CCc1ccc(N2C(=O)[C@H](Cc3ccccc3Cl)SC2=C(C#N)C(=O)NCc2ccco2)cc1 2314593559 PAQQLMZBEWRAIQ-QHCPKHFHSA-N 492.000 5.238 50 10 JKGE C=CCN1C(=O)C(=Cc2cn(-c3ccccc3)nc2-c2ccc(SCCC)cc2)C(C)=C(C#N)C1=O 2314617427 YDDPFIOHPFXWPR-UHFFFAOYSA-N 494.620 5.820 50 10 JKGE CC(C)(C)c1ccc(C=CC(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@H]3c2ccc(Cl)cc2)cc1 2314634190 YHIUJTFLRXDHAS-MHZLTWQESA-N 484.983 6.474 50 10 JKGE COc1cc(C=C(C#N)c2ccc(Cl)cc2)ccc1OC(=O)COc1ccc([N+](=O)[O-])cc1 2314720649 WMTXYFVOOVSOOI-UHFFFAOYSA-N 464.861 5.305 50 10 JKGE CCCc1sc(Br)cc1[C@@H](Br)c1cccc(OCc2ccccc2)c1 2316178642 RVSWBLDTDVCRCA-NRFANRHFSA-N 480.265 7.526 50 10 JKGE Cc1sc2ncn(CC(=O)C(C#N)=C3Nc4ccccc4S3)c(=O)c2c1-c1ccc(Cl)cc1 2320729563 MSSQQKIPPHXGAS-UHFFFAOYSA-N 490.997 5.609 50 10 JKGE COc1cc(C=NNC(=O)c2ccc(-c3ccc(C)cc3)nc2C)ccc1OCc1ccccc1 2321239229 FLQPWSBCOQPVBR-UHFFFAOYSA-N 465.553 5.717 50 10 JKGE C[C@@H]1C[C@H](Br)[C@@H](C)N(Cc2ccc(I)c(Br)c2)C1 2325212952 QXZZNMJCLUUNAY-FOGDFJRCSA-N 487.017 5.048 50 10 JKGE C[C@H](Oc1ccc(Cl)cc1Cl)C(O)=C(C#N)c1nc(-c2ccc(-c3ccccc3)cc2)cs1 2331231927 CJVTXXVJXVXXEJ-INIZCTEOSA-N 493.415 8.044 50 10 JKGE CCCOc1ccc(-c2csc(C(C#N)=C(O)c3ccc([N+](=O)[O-])c(C)c3)n2)cc1OCCC 2331293702 SBWPNYOICLNQCU-UHFFFAOYSA-N 479.558 6.554 50 10 JKGE CCOc1ccc(-c2csc(C(C#N)=C(O)c3ccc4c(c3)C(=O)N(C(C)C)C4=O)n2)cc1 2331305208 CYKCADWVRGKNFF-UHFFFAOYSA-N 459.527 5.163 50 10 JKGE COc1ccc(OC)c(-c2csc(C(C#N)=C(O)C(c3ccccc3)c3ccccc3)n2)c1 2331324563 OTFSKIQOMVUFAY-UHFFFAOYSA-N 454.551 6.452 50 10 JKGE COc1ccc(C=C(C(O)=C(C#N)c2nc(-c3ccc4c(c3)OCCO4)cs2)c2ccccc2)cc1 2331331026 QFZOQWHNEPBSEQ-UHFFFAOYSA-N 494.572 6.623 50 10 JKGE CCc1cccc(CC)c1N1C[C@H](C(O)=C(C#N)c2nc(-c3c[nH]c4ccccc34)cs2)CC1=O 2331346938 OSUIOYKTIPNMIV-LJQANCHMSA-N 482.609 6.262 50 10 JKGE N#CC(=C(O)CNC(=O)c1ccccc1)c1nc(-c2ccc(Oc3ccccc3)cc2)cs1 2331360162 JTDXXBBAKNLPSK-UHFFFAOYSA-N 453.523 5.825 50 10 JKGE COc1ccc(CC(O)=C(C#N)c2nc(-c3cc(C)c(Cl)cc3OC)cs2)c(OC)c1 2331389349 VUDUBUASHCGXRW-UHFFFAOYSA-N 456.951 5.833 50 10 JKGE COc1cc(OC)cc(C(O)=C(C#N)c2nc(-c3cc(Cl)c(OC)c(Cl)c3)cs2)c1 2331396565 PPPNRZRVUFKGRD-UHFFFAOYSA-N 463.342 6.093 50 10 JKGE CCOc1ccc(C=CC(O)=C(C#N)c2nc(-c3cc(Cl)ccc3Cl)cs2)cc1OC 2331404550 PHJRHIYTYDNLQK-UHFFFAOYSA-N 473.381 7.030 50 10 JKGE COc1ccc(-c2csc(C(C#N)=Cc3ccccc3OCc3ccc(Cl)cc3)n2)cc1C 2331429758 ZQMQQYLGTRJVIW-UHFFFAOYSA-N 472.997 7.424 50 10 JKGE CC1(C)CCC[C@H]([C@@H](Br)c2ccc(OCc3ccccc3)cc2Br)CC1 2336037601 FOGGNDABYAEIET-PGRDOPGGSA-N 480.284 8.071 50 10 JKGE Fc1cc(Br)ccc1C[C@@H](Cl)c1cc(Br)ccc1OCc1ccccc1 2336087430 XAHTUNBJAVABSV-LJQANCHMSA-N 498.617 7.452 50 10 JKGE Fc1c(Br)cc(Cl)c([C@@H](Br)[C@@H]2CCCC2(F)F)c1Br 2337092018 KFIMKXYQIHYHOH-CDUCUWFYSA-N 485.363 6.876 50 10 JKGE CO[C@@H]1CC[C@@H]1C[C@@H](Br)c1c(Cl)cc(Br)c(F)c1Br 2337098694 RQDMBOSCHIAWRO-BRDIYROLSA-N 479.409 6.255 50 10 JKGE COc1ccc(C[C@@H](Br)c2sc(Cl)cc2Br)c(Br)c1 2338831602 OYBSSZLWNDKRIR-SNVBAGLBSA-N 489.454 6.614 50 10 JKGE ClCC[C@H]1CCCN(Cc2ccc(I)c(Br)c2)CC1 2349860021 YZIRISQFKSULEV-GFCCVEGCSA-N 456.593 5.285 50 10 JKGE Cc1cc(Br)c([C@@H](Cl)c2c(Br)nc(C)n2C)c(C)c1Br 2362443739 DPEHBDQYDRWBAP-GFCCVEGCSA-N 485.445 5.961 50 10 JKGE BrCc1c(Oc2cc(Br)cc(Br)c2)nc2ccccn12 2364104467 APKIYMHWSOVCDM-UHFFFAOYSA-N 460.951 5.547 50 10 JKGE C[C@@H]1CC[C@@H](C(C)(C)Cc2ccc(Cl)cc2I)[C@H](Br)C1 2366729863 OZAJYUJRTYQSMI-KCPJHIHWSA-N 469.632 6.713 50 10 JKGE Fc1cccc([C@@H](Br)CCc2cc(Cl)cc(Cl)c2)c1I 2366890280 NTPXEYNYGCPIKC-ZDUSSCGKSA-N 487.965 6.806 50 10 JKGE CC(C)(C)OCCCC(CBr)(CBr)c1cccc(Br)c1 2371562500 LDVKWQCYJBKEKC-UHFFFAOYSA-N 471.071 6.072 50 10 JKGE Clc1ccc(I)cc1COc1nc2sccn2c1CBr 2380354417 YVHXUCJIECFJKM-UHFFFAOYSA-N 483.556 5.128 50 10 JKGE N#C/C(=C/c1ccc(N2N=C(c3ccccc3)C[C@H]2c2ccccc2)cc1)C(=O)NCc1ccco1 33568736 QSRPHMJOAUIOQQ-IZZVBFKTSA-N 472.548 5.859 50 10 JKGE CCCCSc1ccc(-c2nn(-c3ccccc3)cc2/C=C(/C#N)C(=O)Nc2ccc(C)cc2)cc1 35445916 FUAOOFKPQUJVMS-CLCOLTQESA-N 492.648 7.286 50 10 JKGE N#CC1=C(N)Oc2cc(OC(=O)COc3ccc(Cl)cc3)ccc2[C@H]1c1ccccc1Cl 38650975 ZZPQRCHITLFVDP-HSZRJFAPSA-N 467.308 5.196 50 10 JKGE Cc1cccc(C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@H]3c2ccccc2Br)c1 38678451 DBHPKDGMGYPYGG-QFIPXVFZSA-N 461.315 5.195 50 10 JKGE CCCCOc1cccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4ccccc4OCC)ccc32)c1 38685241 NWLBHPRBSWAVJR-HHHXNRCGSA-N 484.552 5.702 50 10 JKGE Cc1c(C(=O)Nc2ccc(Cl)cc2Cl)oc2c1/C(=N/NC(=O)c1ccc(Cl)cc1)CCC2 40811602 YFKMJVDWZAASGT-MTDXEUNCSA-N 490.774 6.271 50 10 JKGE CCc1ccccc1NC(=O)c1oc2c(c1C)/C(=N/NC(=O)c1ccc3ccccc3n1)CCC2 40825780 FPEVBHMTKCMAKC-DFKUXCBWSA-N 466.541 5.421 50 10 JKGE COc1cc(/C=N/NC(=O)COc2cc(C)c(Cl)c(C)c2)ccc1OCc1ccc(C)cc1 40911151 UTLAKOYNZAGUNO-CCVNUDIWSA-N 466.965 5.382 50 10 JKGE Cc1ccc(C(C)C)c(OCC(=O)N/N=C/c2cc(Br)ccc2OCc2ccccc2)c1 40912320 WNKCETWXCHYOID-RWPZCVJISA-N 495.417 5.989 50 10 JKGE CCCCCCCCCCCCCC(=O)NNC(=O)c1ccc(OCc2ccccc2)cc1 100443145 ZGTZILOFJXPMHY-UHFFFAOYSA-N 452.639 6.728 50 10 JKGE Clc1cccc([C@H](Br)c2cc(Br)ccc2Br)c1Cl 104040087 AEEKKWSBUMCZPI-LBPRGKRZSA-N 473.817 7.003 50 10 JKGE COc1ccc(Br)cc1[C@H](Br)c1ccc(F)cc1Br 109834820 WQZZTSYQLXUIAS-CQSZACIVSA-N 452.943 5.844 50 10 JKGE Cc1ncc(CC(CBr)(CBr)c2ccccc2Br)s1 118672049 UMLDZMQPLAIBDN-UHFFFAOYSA-N 468.052 5.484 50 10 JKGE CCCC(CBr)(CCC)COc1cc(Br)c(OC)cc1Br 118817068 LLMYABCLPLJOFG-UHFFFAOYSA-N 487.070 6.581 50 10 JKGE Fc1cc(Br)cc([C@@H](Br)c2ccc(Br)c3ccccc23)c1 127469968 FVUOEMIXTJYPNJ-QGZVFWFLSA-N 472.977 6.988 50 10 JKGE Clc1cc([C@H](Cl)c2cc(Br)c(Br)s2)ccc1Br 148989870 DMSUTDNFBFFTDB-JTQLQIEISA-N 479.846 7.017 50 10 JKGE CCOc1cc(/C=C(/C#N)C(=O)NCc2ccco2)ccc1OC(=O)/C=C/c1ccc(C(C)C)cc1 206680512 WWAPHIMCWYSIKI-ZOOSRWFRSA-N 484.552 5.644 50 10 JKGE CCOC(=O)c1c(NC(=O)/C(C#N)=C\c2ccc(-c3cccc(F)c3)o2)sc2c1CC[C@@H](C)C2 209398013 PPASEOGMQLNHPY-WIZMWCRPSA-N 478.545 5.994 50 10 JKGE Brc1ccc(I)c([C@H](Br)c2ccc3c(c2)CCO3)c1 232454191 NNFRCHIXYAWWCE-OAHLLOKOSA-N 493.964 5.473 50 10 JKGE Cl[C@@H](Cc1cccc(Br)c1)c1ccc(Br)cc1Br 236019851 ZTRKWPPKXGJHRG-AWEZNQCLSA-N 453.399 6.497 50 10 JKGE COc1ccc(-n2c(SCC(=O)NN=Cc3ccc(C(C)(C)C)cc3)nnc2-c2ccccc2)cc1 254579603 XCCHNLFEIUGKGM-UHFFFAOYSA-N 499.640 5.483 50 10 JKGE CCCCCOc1ccc(C=NNC(=O)CSc2nnc(-c3ccccc3)s2)cc1OCC 256028246 ATBPCUAAXHNHBS-UHFFFAOYSA-N 484.647 5.415 50 10 JKGE Clc1sc([C@H](Br)c2ccccc2OCc2ccccc2)cc1Br 309943870 CGJHTVYXUMTCDR-QGZVFWFLSA-N 472.629 7.227 50 10 JKGE O=C(OCc1ccccc1)N1C[C@H](CI)[C@H](c2cccc(Cl)c2)C1 382693045 VAJZPBRCCAKHDX-WMZOPIPTSA-N 455.723 5.127 50 10 JKGE O=C(OCc1ccccc1)N1C[C@@H](CI)[C@@H](c2c(F)cccc2Cl)C1 382696215 KVYIYYMXQYAGKF-CABCVRRESA-N 473.713 5.266 50 10 JKGE O=C(CN(Cc1ccccc1)Cc1ccccc1)Nc1cccc(-c2nc(CCl)cs2)c1 384084281 MMSITRALLPSOMS-UHFFFAOYSA-N 462.018 6.190 50 10 JKGE Brc1cc([C@H](Br)c2cc(I)cc3c2OCC3)co1 386068245 LBUZGXWOTRYGFK-LBPRGKRZSA-N 483.925 5.066 50 10 JKGE Fc1cc(Br)c(Cl)cc1[C@@H](Br)c1ncsc1Br 698628085 YGTRPGUZPCRGEQ-MRVPVSSYSA-N 464.379 5.945 50 10 JKGE COCC(C)(C)CC(CBr)(CBr)c1ccccc1Br 712665947 ZCXZGPKPOODAEW-UHFFFAOYSA-N 457.044 5.539 50 10 JKGE FC(F)(F)c1nc(-c2ccc(I)c(Br)c2)oc1CCl 721325787 XFQSXVJFDSASCF-UHFFFAOYSA-N 466.422 5.466 50 10 JKGE O=C(OCc1ccccc1)N1C[C@H](c2cc(C(F)(F)F)ccc2Cl)[C@@H](CBr)C1 725387384 LZTPJKPVMDETAJ-YOEHRIQHSA-N 476.720 6.106 50 10 JKGE COc1cc(/C=C(/C#N)C(=O)Nc2cccc3ccccc23)cc(Br)c1OC(C)=O 1084097599 QGARCLPINQBNQS-YVLHZVERSA-N 465.303 5.082 50 10 JKGE Cc1c(C(=O)N(C)c2ccccc2)oc2c1C(=NNC(=O)c1ccc(Cl)cc1Cl)CCC2 1772748769 TYSGWLRFXRYUFW-UHFFFAOYSA-N 470.356 5.642 50 10 JKGE O=C(COc1ccccc1Br)NN=Cc1ccc(OCc2ccccc2Cl)cc1 1772754111 CCNLXIXSEWNWKV-UHFFFAOYSA-N 473.754 5.211 50 10 JKGE CCOc1ccc(C=NNC(=O)COc2ccc(-c3ccccc3)cc2Br)cc1OCC 1772754451 WBQFYJLTJFYAJV-UHFFFAOYSA-N 497.389 5.443 50 10 JKGE CCc1ccc(OCCCC(=O)NN=Cc2ccc(OCc3ccccc3)cc2)c(Br)c1 1772755320 AUOVZNSSNSORJG-UHFFFAOYSA-N 495.417 5.900 50 10 JKGE N#CC1=C(N)Oc2c(c(-c3ccccc3)nn2-c2cccc3ccccc23)[C@@H]1c1c(F)cccc1Cl 1865685510 JULYZPRWFMCFQA-DEOSSOPVSA-N 492.941 6.703 50 10 JKGE CCCCCOc1ccc([C@@H]2C(C#N)=C(N)Oc3c2c(-c2ccccc2)nn3-c2ccccn2)cc1 1865690624 XKHYAKOWLQXJQG-RUZDIDTESA-N 477.568 5.721 50 10 JKGE CCCCCOc1ccc([C@@H]2C(C#N)=C(N)Oc3c2c(CC)nn3-c2ccccc2)cc1OCC 1865691402 QWQKXBJNZXFYSG-RUZDIDTESA-N 472.589 5.621 50 10 JKGE C=CCOc1ccccc1[C@@H]1C(C#N)=C(N)Oc2c1c(C(F)(F)F)nn2-c1ccc(Cl)cc1 1865691722 ZMICQBCMPQDTJJ-GOSISDBHSA-N 472.854 5.327 50 10 JKGE CCOc1c(OC)cccc1[C@H]1C(C#N)=C(N)Oc2c1c(-c1ccccc1)nn2Cc1cccc(F)c1 1865693309 NAPPQMJWFLFDQI-DEOSSOPVSA-N 496.542 5.363 50 10 JKGE CCCc1nn(Cc2cccc(Cl)c2)c2c1[C@@H](c1ccc(OC(C)C)c(OC)c1)C(C#N)=C(N)O2 1865696400 FYCNSPZCRXQERB-DEOSSOPVSA-N 493.007 5.551 50 10 JKGE N#CC1=C(N)Oc2c(c(-c3ccccc3)nn2Cc2ccccc2Cl)[C@@H]1c1cccc(F)c1 1865710974 MVLGMKUVISBMJF-JOCHJYFZSA-N 456.908 5.609 50 10 JKGE CC[C@H](C(=O)N[C@@H](CCSC)C(=O)Nc1ccc(SC#N)cc1)c1ccc(Cl)cc1 1866958339 ZKHRBUTWCSRIRT-PMACEKPBSA-N 462.040 5.283 50 10 JKGE CSCC[C@@H](NC(=O)[C@@H](c1ccc(Cl)cc1)C1CC1)C(=O)Nc1ccc(SC#N)cc1 1866999462 GHUWXSREVFSYFL-NHCUHLMSSA-N 474.051 5.283 50 10 JKGE COC(=O)c1ccc2c(O)nc(/C(C#N)=C/c3ccc(OCc4ccccc4Cl)cc3)nc2c1 1872727510 GONXYIFMUZUZFX-XDHOZWIPSA-N 471.900 5.419 50 10 JKGE CCCOc1ccc(-c2csc(/C(C#N)=C(\O)COc3cc(C)c(Cl)c(C)c3)n2)cc1 1872749344 MVNDGEZKYJRURJ-XDOYNYLZSA-N 454.979 6.741 50 10 JKGE CCCCc1ccc(N2C[C@@H](/C(O)=C(\C#N)c3nc(-c4ccc(C(C)(C)C)cc4)cs3)CC2=O)cc1 1872750640 IRPNEZSVMQPDRZ-XOFWUJAUSA-N 499.680 7.296 50 10 JKGE N#C/C(=C(O)\C=C\c1ccc(Cl)c(Cl)c1)c1nc(-c2ccc3c(c2)OCCO3)cs1 1872751067 SHGDKEFWFZDHIV-HWTNOFPKSA-N 457.338 6.394 50 10 JKGE COc1ccc(C(C)(C)C)cc1-c1csc(/C(C#N)=C(O)/C=C/c2cccc(Cl)c2)n1 1872751640 QQFGDVMHKGHJOF-NEUFDEOWSA-N 450.991 7.276 50 10 JKGE CCOc1cc(/C(O)=C(\C#N)c2nc(-c3c(C)cc(C)cc3C)cs2)cc(OCC)c1OCC 1872757210 UVRKRMTVINOEAA-QQTULTPQSA-N 478.614 6.881 50 10 JKGE COc1ccc(-c2csc(/C(C#N)=C(\O)c3cc(Cl)ccc3Cl)n2)c2ccccc12 1872758845 SUZHMUJVLXDDLX-PYCFMQQDSA-N 453.350 7.229 50 10 JKGE Cc1ccc(COc2ccc(/C=C(\C#N)c3nc(-c4ccc(C(C)(C)C)cc4)cs3)cc2)cc1 1872792350 TWXYZXXORQOQQN-KOEQRZSOSA-N 464.634 8.059 50 10 JKGE COc1cc(Br)cc(/C=C(\C#N)c2nc(-c3c(C)c(C)cc(C)c3C)cs2)c1O 1872792872 VSCZCLSKDQZNMG-REZTVBANSA-N 469.404 6.585 50 10 JKGE CCOc1ccc(/C=C(\C#N)c2nc(-c3ccc(OC)c(OC)c3OC)cs2)cc1OC 1872795022 ITSKHKXNHLRLDP-LFIBNONCSA-N 452.532 5.307 50 10 JKGE O=C(N/N=C/c1cccc(OCc2cccc(Cl)c2)c1)c1ccc2[nH]c3c(c2c1)CCCC3 1873498493 QGECVBCGPHOYIT-MUFRIFMGSA-N 457.961 6.043 50 10 JKGE C[C@H](CBr)N(Cc1ccccc1)c1ncc(C(F)(F)F)cc1I 1914341690 NJLVGGNJXWGMFT-LLVKDONJSA-N 499.112 5.495 50 10 JKGE Clc1ccc(C[C@H](Br)c2sc(Br)cc2Br)cc1 1922934043 BQANXWGRABXCOK-VIFPVBQESA-N 459.428 6.605 50 10 JKGE Cc1c(Br)sc([C@H](Cl)c2cccc(Br)c2F)c1Br 1922946110 NVDDOZIQPWUBHC-SECBINFHSA-N 477.418 6.811 50 10 JKGE Cc1ccc([C@@H](Br)c2sc(Br)c(C)c2Br)c(F)c1 1922946681 ULNGPWRBMVTLSY-LLVKDONJSA-N 457.000 6.513 50 10 JKGE C[C@@H]([C@H](Br)c1c(Br)sc(Br)c1Cl)C(C)(C)C 1923049027 JOFWHANDYKWBEV-FSPLSTOPSA-N 453.465 7.045 50 10 JKGE Clc1c(Br)sc(Br)c1[C@@H](Br)C[C@@H]1CCOC1 1923050448 VJBCCLNWNHRPHF-WDSKDSINSA-N 453.421 5.789 50 10 JKGE Cc1ccc(C[C@H](Cl)c2c(Br)sc(Br)c2Br)cc1C 1924596348 NHWSMPUSNIZXRS-JTQLQIEISA-N 487.482 7.175 50 10 JKGE CC1(C)CC[C@]2(CCC[C@H](CI)O2)[C@H](CNC(=O)OC(C)(C)C)C1 1927123660 YHAWPFFCFCHMKE-QMTMVMCOSA-N 451.389 5.080 50 10 JKGE Cc1cc([C@@H](Cl)c2c(Br)cccc2Br)sc1Br 1945323235 QQQMRVDOGMJAAW-LLVKDONJSA-N 459.428 6.672 50 10 JKGE CO[C@@H]1CC[C@H]1C[C@@H](Br)c1c(Br)sc(Br)c1Cl 2013839206 PLUZEHQAPAZKCJ-RRKCRQDMSA-N 467.448 6.178 50 10 JKGE Brc1cc([C@H](Br)c2ccc(C3CC3)cc2)c(Br)s1 2036362023 GIGQQDAOZOPXHM-CYBMUJFWSA-N 451.021 6.635 50 10 JKGE CN(c1ccc(CBr)c(Br)c1)[C@H]1CC(C)(C)[C@H]1OCc1ccccc1 2038795699 WPWLTIFPZHPTPU-PMACEKPBSA-N 467.245 6.164 50 10 JKGE C[C@]1(C(F)(F)F)C[C@@H]1[C@@H](Br)c1c(Br)sc(Br)c1Cl 2043571757 WVGCZNSJKKCHLW-QZCCETNPSA-N 491.392 6.951 50 10 JKGE CN(CCN(Cc1ccccc1)CC1(c2nc(CCl)cs2)CCCC1)Cc1ccccc1 2047532586 KAANKLWTEPBSCJ-UHFFFAOYSA-N 468.110 6.328 50 10 JKGE CCc1nn(-c2cccc(Br)c2CBr)c(CC)c1Br 2093296890 XHCZRXFBERVEDT-UHFFFAOYSA-N 451.000 5.417 50 10 JKGE CC(C)c1nc(C[C@@H](Br)c2ccc(Br)cc2)c(Br)[nH]1 2113488269 BLUVTBCJDGHPHM-LLVKDONJSA-N 451.000 5.737 50 10 JKGE Cc1c(C)c(C)c([C@@H](Br)c2cc(I)sn2)c(C)c1C 2120031117 GIOBMMSDMREECW-HNNXBMFYSA-N 450.183 5.774 50 10 JKGE CC(C)(C)OC(=O)N1CCC[C@](CI)(OC[C@H]2C[C@@H]2C2CCCCC2)C1 2135788469 JFTIEIXWEBNROT-DBXWQHBBSA-N 477.427 5.424 50 10 JKGE Cc1cc(Br)c(C)c([C@H](Br)[C@@H]2CCCC23CC3)c1Br 2136367410 QMGOHUWQAFPRTJ-XHDPSFHLSA-N 451.040 6.845 50 10 JKGE Cc1cc(Br)c(C)c([C@@H](Br)[C@@H]2CCCOCC2)c1Br 2136370797 PWWSZZIERYSJPS-ABAIWWIYSA-N 455.028 6.081 50 10 JKGE Cc1cc(Br)c(C)c([C@H](Br)CC2C[C@H]3C[C@@H]3C2)c1Br 2136374585 NHBOPNNTACSEOA-SGMGOOAPSA-N 451.040 6.701 50 10 JKGE CC(C)(C)OC(=O)N1CCC[C@](CI)(O[C@@H]2CCC[C@H]3CCCC[C@@H]32)C1 2136423417 MVVKSGCYPPLKEO-BMQTXXJKSA-N 477.427 5.567 50 10 JKGE COc1cc(Cl)c([C@@H](Br)c2cn(C)nc2Br)cc1Br 2137636259 CLJQJMPZBRKHFJ-LLVKDONJSA-N 473.390 5.091 50 10 JKGE COc1cc(Br)c(C)cc1[C@@H](Br)c1ccc(Br)cc1Cl 2145955131 FZVBTMRQUSUQGX-HNNXBMFYSA-N 483.425 6.666 50 10 JKGE CC1(C)CCN(C(=O)c2cc(Br)ccc2Br)C[C@H]1CBr 2148652695 KSWUCDTXCCSICO-SNVBAGLBSA-N 468.027 5.095 50 10 JKGE Cn1ncc(Cl)c1CC(CBr)(CBr)c1ccc(Br)cc1 2168232244 UCFMRSHSMNVXRD-UHFFFAOYSA-N 485.445 5.106 50 10 JKGE FC(F)(F)[C@H]1OC2([C@H](Cl)c3c(Br)sc(Br)c3Cl)CC1C2 2193091111 IFWNOBNTCPJTQY-XHSCVUKGSA-N 474.951 6.316 50 10 JKGE Cc1cc(Br)cc([C@H](Br)c2c(C)sc(Br)c2C)c1 2218801554 VWLGGWKWHHHKMY-ZDUSSCGKSA-N 453.037 6.683 50 10 JKGE Clc1cc(Br)ccc1C[C@@H](Br)c1cccc(OCc2ccccc2)c1 2221698946 CDOMZOCKXWVKMW-HXUWFJFHSA-N 480.627 7.360 50 10 JKGE CCOCc1cc(Br)c([C@@H](Br)c2c(C)nsc2Br)s1 2224774931 RKCRHMKFNYTXQS-JTQLQIEISA-N 490.080 6.059 50 10 JKGE Fc1cc2c(cc1Br)nc(CCl)n2C[C@@H]1CC1(Br)Br 2224806600 QPIFFKBPMMXBRK-LURJTMIESA-N 475.381 5.183 50 10 JKGE Cc1cccc([C@H](Cl)c2cc(Br)c(Br)cc2F)c1Br 2225635364 VCZVSFBKLABITP-AWEZNQCLSA-N 471.389 6.750 50 10 JKGE COc1cc(C)c(Br)cc1[C@H](Br)c1scc(Br)c1C 2226125284 XTLMDZVPELIPFP-ZDUSSCGKSA-N 469.036 6.383 50 10 JKGE CC1(C)CC2(CC([C@H](Br)c3cc(Br)c(Br)cc3F)C2)C1 2233975292 JFQBNRZNRLIYTH-AWEZNQCLSA-N 469.030 7.003 50 10 JKGE CC1(C)CC2(CC([C@@H](Br)c3cc(Br)c(Br)cc3F)C2)C1 2233975293 JFQBNRZNRLIYTH-CQSZACIVSA-N 469.030 7.003 50 10 JKGE CC(C)(C)OC1CC([C@@H](Br)c2cc(Br)c(Br)cc2F)C1 2233981053 CTDLAEPXJJELPN-OAQUUNCKSA-N 473.018 6.380 50 10 JKGE Cc1cc(Br)c([C@@H](Cl)c2cc(F)cc(Br)c2)c(C)c1Br 2235603363 IWWPODKACQTVJX-HNNXBMFYSA-N 485.416 7.058 50 10 JKGE CC1(COc2c(Br)cc(CBr)cc2Br)CC2(CCC2)C1 2236540067 SYBGAUWLKXALFU-UHFFFAOYSA-N 467.039 6.456 50 10 JKGE C[C@@](CI)(O[C@@H]1CCCC(F)(F)C1)c1ccccc1Br 2238670808 BECVYKIMZYNMMQ-RISCZKNCSA-N 459.112 5.694 50 10 JKGE Brc1coc([C@@H](Br)c2cc(Br)ccc2Br)c1 2244200333 DVISWJBNCPOEII-NSHDSACASA-N 473.784 6.051 50 10 JKGE C[C@@H](CCBr)N(Cc1ccccc1)c1nc2ccc(Br)cc2s1 2246318393 IOSZSDVBUJJQEH-ZDUSSCGKSA-N 454.231 6.239 50 10 JKGE COC[C@]1(C)C[C@H]1[C@H](Cl)c1c(Br)sc(Br)c1Br 2248733478 IMWKXRYUBHOKLH-UPIMIWRCSA-N 467.448 5.988 50 10 JKGE Brc1cc2sc([C@H](Br)c3sccc3Br)cc2s1 2252905948 VGXCDBZVTHAZBL-JTQLQIEISA-N 473.074 7.034 50 10 JKGE Cc1csc([C@H](Br)c2c(F)cc(Br)c(F)c2Br)c1 2260003663 ZBGXWPQJJRHGOY-JTQLQIEISA-N 460.963 6.344 50 10 JKGE Cc1cc([C@@H](Br)c2c(F)cccc2I)c(C)cc1Cl 2267737506 HCWSFKRHCRNMBO-OAHLLOKOSA-N 453.520 6.185 50 10 JKGE Fc1cc([C@@H](Br)Cc2ccc(Br)cc2)c(Cl)cc1Br 2267804202 SAEWSGBMSNGRHE-NSHDSACASA-N 471.389 6.683 50 10 JKGE Cc1cc(Br)c([C@@H](Cl)c2cscc2S(C)(=O)=O)cc1Br 2288512326 IADJMDCFYOMVFB-CYBMUJFWSA-N 458.624 5.313 50 10 JKGE O=C(CSc1nnc(SCc2ccc(Cl)cc2)s1)NN=CC=Cc1ccccc1 2293744227 ZZXXGFRJNYJINJ-UHFFFAOYSA-N 461.037 5.391 50 10 JKGE Fc1cc(C[C@H](Br)c2cc3sc(Br)cc3s2)ccc1Cl 2295411151 ISLUEKWSPVIABY-QMMMGPOBSA-N 454.611 7.197 50 10 JKGE CC(C)CCOc1ccc(-c2nn(-c3ccccc3)cc2C=C(C#N)c2nc3ccccc3n2C)cc1 2296540329 UGUMJZSPEKYTCC-UHFFFAOYSA-N 487.607 6.915 50 10 JKGE Cc1cc(Oc2cccc(C(F)(F)F)c2)nc(C2CCN(C(=O)[C@@H](Cl)C(C)C)CC2)n1 2296578583 YSOAPFAIKREWSQ-IBGZPJMESA-N 455.908 5.566 50 10 JKGE Cc1cc(-c2nn(-c3ccccc3)cc2C=C(C#N)C(=O)NCc2ccccc2)ccc1OC(C)C 2296703473 UJPUMTQZDCOQLG-UHFFFAOYSA-N 476.580 5.858 50 10 JKGE CCc1ccc(NC(=O)COc2ccc(C=C(C#N)c3nc4ccccc4[nH]3)cc2OC)cc1 2297369388 QHTHXTYKIVJNTP-UHFFFAOYSA-N 452.514 5.216 50 10 JKGE N#CC(=Cc1cc(Br)ccc1OCc1cccc2ccccc12)c1ccc([N+](=O)[O-])cc1 2313541038 MVUFUYFEBFQESU-UHFFFAOYSA-N 485.337 7.154 50 10 JKGE CCc1ccc(NC(=O)C(C#N)=Cc2ccc(OCc3ccc(Cl)c(Cl)c3)c(OC)c2)cc1 2313681144 NAKIECAFAFIRCR-UHFFFAOYSA-N 481.379 6.689 50 10 JKGE FC(F)[C@@H]1CCC[C@H]1[C@@H](Br)c1ccc(OCc2ccccc2)cc1Br 2314445108 PUTRPZLOOLCWHD-GPMSIDNRSA-N 474.183 7.146 50 10 JKGE N#CC(=Cc1ccc(-c2cc(C(F)(F)F)ccc2Cl)o1)c1nc(-c2cccs2)cs1 2314519511 RGFQYQIPAUOEKL-UHFFFAOYSA-N 462.905 7.868 50 10 JKGE CCOc1ccc(N2C(=O)[C@@H](Cc3ccc(F)cc3)SC2=C(C#N)C(=O)Nc2ccccc2)cc1 2314592477 UXYBFPKCEMTKHB-XMMPIXPASA-N 487.556 5.289 50 10 JKGE C[C@@H]1CC[C@@H]([C@H](Br)c2c(Cl)cc(Br)c(F)c2Br)C1 2315441024 BDSGGEPJHMAPNI-AMXGMDGSSA-N 463.410 6.876 50 10 JKGE C[C@H]1[C@H](C)N(Cc2ccc(I)c(Br)c2)CC[C@H]1Br 2325229877 QEXOXHCXUHAOBH-JBLDHEPKSA-N 487.017 5.048 50 10 JKGE N#CC(=C(O)c1ccccc1I)c1nc(-c2ccccc2Cl)cs1 2331273300 ANMHPVXOUFJKNS-UHFFFAOYSA-N 464.715 6.018 50 10 JKGE CCCOc1ccc(-c2csc(C(C#N)=C(O)C=Cc3cccc(Cl)c3)n2)cc1OCCC 2331293327 XBZPWXHDTYVNSZ-UHFFFAOYSA-N 481.017 7.547 50 10 JKGE CCOc1ccc(-c2csc(C(C#N)=C(O)c3ccccc3C(=O)c3ccccc3)n2)cc1 2331305274 LFXXUOVFARXFCN-UHFFFAOYSA-N 452.535 6.390 50 10 JKGE CC(C)(C)c1ccc(-c2csc(C(C#N)=C(O)c3ccccc3C(=O)c3ccccc3)n2)cc1 2331331535 KZUCNWYBUBYSJF-UHFFFAOYSA-N 464.590 7.288 50 10 JKGE COc1cc(OC)c(-c2csc(C(C#N)=C(O)Cc3c[nH]c4ccccc34)n2)cc1Cl 2331377642 WJRIMJKWBSJOGG-UHFFFAOYSA-N 451.935 5.997 50 10 JKGE COc1c(Cl)ccc(Cl)c1C(O)=C(C#N)c1nc(-c2cc(C(C)(C)C)ccc2C)cs1 2331397111 JJDHBOVCNNGLLF-UHFFFAOYSA-N 473.425 7.681 50 10 JKGE CCOc1ccc(C=CC(O)=C(C#N)c2nc(-c3ccc(OC)c4ccccc34)cs2)cc1OC 2331406397 INRMSGFTJKDQCC-UHFFFAOYSA-N 484.577 6.885 50 10 JKGE COc1cc(C=C(C#N)c2nc(-c3cc(C)ccc3C)cs2)ccc1OCCCc1ccccc1 2331445714 FFVBZENLWCSOBF-UHFFFAOYSA-N 480.633 7.511 50 10 JKGE CC(C)C(C(C)C)[C@@H](Br)c1c(Cl)cc(Br)c(F)c1Br 2337092859 XBOIPHDOQLLZHI-GFCCVEGCSA-N 479.453 7.368 50 10 JKGE CC1(C)C[C@@](C)(CBr)CN1Cc1ccc(Cl)c(I)c1 2337217723 AKMQSVHPFJCWDH-HNNXBMFYSA-N 456.593 5.330 50 10 JKGE Cc1cc(Br)c([C@H](Cl)c2c(Br)nc(C)n2C)cc1Br 2337280627 HMQIUQGXVRMLFD-NSHDSACASA-N 471.418 5.653 50 10 JKGE Cn1nc(Br)c(Br)c1[C@H](Br)c1ccc(F)c(Cl)c1F 2338720228 PCDAAECGKDSPCO-ZCFIWIBFSA-N 479.344 5.361 50 10 JKGE Cc1cc(Cl)c([C@H](Br)c2ccc(Cl)cc2I)cc1Cl 2340067112 YENFLPSSLNDXFN-CQSZACIVSA-N 490.393 7.044 50 10 JKGE Clc1cc(Cl)cc(CC[C@H](Br)c2ccccc2OCc2ccccc2)c1 2341184254 NVSXZBHMEGIDKO-NRFANRHFSA-N 450.203 7.641 50 10 JKGE Fc1cccc([C@@H](CI)OCc2cccc(I)c2)c1 2341612097 PBUJLTGVUMHULJ-OAHLLOKOSA-N 482.074 5.123 50 10 JKGE CC1=C(C)C[C@](CCl)(Cc2ccc(I)c(Br)c2)CC1 2349840065 LDCQLDIPPJXFPD-INIZCTEOSA-N 453.589 6.342 50 10 JKGE Clc1ccc(I)cc1CN(CCBr)C1CCCCC1 2352416295 SUUYXDCBMYFYQT-UHFFFAOYSA-N 456.593 5.474 50 10 JKGE Clc1ccc(I)cc1CN1CC[C@@H](Br)CC12CCC2 2352425418 GNPASFAFGSSROS-GFCCVEGCSA-N 454.577 5.227 50 10 JKGE CCc1cc(Br)c(OC)c([C@H](Br)c2nscc2Br)c1 2353046531 VKBDGONAIWCRMO-NSHDSACASA-N 470.024 5.723 50 10 JKGE Fc1c(Br)cc(Cl)c([C@@H](Br)[C@@H]2[C@H]3[C@H]4CC[C@@H](C4)[C@H]32)c1Br 2362257506 IJDYQMXGRCOMIY-XDWHSOLQSA-N 487.432 6.732 50 10 JKGE Cc1cc(Br)c(F)c(Br)c1[C@@H](Br)[C@@H]1CCCCC1(F)F 2365214542 BHAGCEDEAKXHGL-KWQFWETISA-N 478.972 6.921 50 10 JKGE COCc1ccc([C@H](Br)c2scc(C(F)(F)F)c2Br)s1 2367819572 PFETVFQGPIQVIW-JTQLQIEISA-N 450.139 6.222 50 10 JKGE O=C(c1cc(Br)sc1Br)N1CCC[C@H](Cl)[C@@H]1C(F)(F)F 2370257977 MSZSDXJSKNQQRO-POYBYMJQSA-N 455.521 5.047 50 10 JKGE COc1ccc([C@H](Br)c2c(Cl)cc(C)cc2Cl)cc1I 2381302627 GSDVFQQUWMWQNB-HNNXBMFYSA-N 485.974 6.399 50 10 JKGE Cc1cccc(OCC(=O)N/N=C/c2ccc(Sc3nc4ccccc4s3)c([N+](=O)[O-])c2)c1 3073327 WOVHPPKGTQEBAW-ZMOGYAJESA-N 478.555 5.193 50 10 JKGE CSc1sc(C)cc1[C@@H]1C(C#N)=C(N)N(c2c(F)cccc2F)C2=C1C(=O)CC(C)(C)C2 9982377 YAGCNSASNNFDBC-LJQANCHMSA-N 471.598 5.998 50 10 JKGE N#C/C(=C\c1cn(-c2ccccc2)nc1-c1cccs1)c1nc2sc3c(c2c(=O)[nH]1)CCCC3 14360074 UCLJQBAQZUOBBX-DTQAZKPQSA-N 481.606 5.842 50 10 JKGE CC/C(=N\NC(=O)c1cc(-c2ccc(CC)cc2)nc2c(Cl)cccc12)c1ccc([C@H](C)CC)cc1 20212768 DXZVDMLQONXKDZ-YXFTXQKLSA-N 498.070 8.175 50 10 JKGE CCOC(=O)/C(C#N)=C/C=C(/Sc1nc2ccc(OCC)cc2s1)c1ccc(Cl)cc1 33881498 QIQYHELJLCLEGS-PJZZMMQYSA-N 471.003 6.495 50 10 JKGE CCCCOc1ccccc1[C@@H]1C(C#N)=C(N)Oc2cc(OC(=O)COc3c(C)cccc3C)ccc21 38682871 LPTAQNRGHXYAEE-NDEPHWFRSA-N 498.579 5.685 50 10 JKGE CCCCOc1cccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4ccc(Cl)cc4)ccc32)c1 38685068 ACZNBQRZRCRKEK-VWLOTQADSA-N 474.944 5.956 50 10 JKGE COc1cccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4oc5cc(C)cc(C)c5c4C)ccc32)c1 38687340 GRNWJKNGCOZDTP-SANMLTNESA-N 480.520 5.804 50 10 JKGE N#C/C(=C\c1ccc(-c2ccc(Cl)c(Cl)c2)o1)c1nc(-c2cccc([N+](=O)[O-])c2)cs1 39842924 YLWKCEBJLYLBHE-OQLLNIDSSA-N 468.321 7.349 50 10 JKGE N#C/C(=C\c1ccc(-c2cccc(C(F)(F)F)c2)o1)C(=O)Nc1cccc(Cl)c1Cl 39884626 GAIJXQWHMBZWQF-JLHYYAGUSA-N 451.231 6.818 50 10 JKGE CCOC(=O)c1c(NC(=O)/C(C#N)=C/c2ccc(-c3ccccc3F)o2)sc2c1CCCC2 39884908 ZYTCZTUDIUGGDX-FYWRMAATSA-N 464.518 5.748 50 10 JKGE Cc1c(C(=O)Oc2ccc3ccccc3c2)oc2c1/C(=N/NC(=O)c1ccc(Cl)cc1)CCC2 40811625 JMKQUWHMJPZIKN-QUPMIFSKSA-N 472.928 6.084 50 10 JKGE CCc1ccccc1NC(=O)c1oc2c(c1C)/C(=N/NC(=O)c1ccccc1Br)CCC2 40812853 WXHVRIOERHJQTJ-VFCFBJKWSA-N 494.389 5.636 50 10 JKGE Cc1c(C(=O)Oc2ccc(-c3ccc(C#N)cc3)cc2)oc2c1/C(=N/NC(=O)c1ccccn1)CCC2 40814331 BDUPQHPWAYCZPQ-AWSUPERCSA-N 490.519 5.211 50 10 JKGE COc1c(Br)cc(Br)cc1/C=C(/C#N)C(=O)Nc1cc(C)ccc1C 59198794 TYRFWYSNYWRZII-AUWJEWJLSA-N 464.157 5.383 50 10 JKGE CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(CC)cc2)ccc1OCc1ccccc1Cl 59296949 DEXRYQDGYWJGGB-PXLXIMEGSA-N 460.961 6.426 50 10 JKGE N#C/C(=C/c1ccc(OCCOCCOc2ccccc2)cc1)C(=O)Nc1nc2ccccc2s1 102443848 CXPSOJFHRTUYDG-UZYVYHOESA-N 485.565 5.316 50 10 JKGE COc1cc(OC)c([C@@H](Cl)c2cc(Br)sc2Br)cc1OC 109825410 OPPTXALKGJPXLN-CYBMUJFWSA-N 456.583 5.627 50 10 JKGE COc1c(Br)cc(Cl)cc1[C@@H](Br)c1cccc(Cl)c1Cl 109836343 SGSNQLDJBTXLKG-LBPRGKRZSA-N 459.392 6.902 50 10 JKGE Brc1ccc(Br)c([C@H](Br)[C@H]2CCCc3ccccc32)c1 109844860 ZHKWZDPNPOOKHL-WMLDXEAASA-N 459.019 6.768 50 10 JKGE BrCc1cccc(Br)c1OCc1ccc(I)cc1 115098503 VXSBMNDAPZVYKX-UHFFFAOYSA-N 481.953 5.528 50 10 JKGE Fc1ccc([C@@H](Br)c2csc(I)c2)cc1Br 118896056 QDQMPTIRQSLWIG-LLVKDONJSA-N 475.946 5.739 50 10 JKGE CCCC(CBr)(CCC)Cn1cc(Br)cc(Br)c1=O 128484515 XZOMLXDZGFVJCM-UHFFFAOYSA-N 458.032 5.355 50 10 JKGE Cc1c(C)c(C)c([C@H](Br)c2cc(Br)ccc2Br)c(C)c1C 161080437 QFSNSEPHLHKAKP-GOSISDBHSA-N 475.062 7.238 50 10 JKGE COc1cccc(N(C(=O)CCl)[C@H](C(=O)N[C@H]2CCCC[C@@H]2C)c2ccc(Cl)cc2)c1 169691473 VKXKQEAKWJDNRO-YROCYRMSSA-N 463.405 5.357 50 10 JKGE CCCCNC(=O)/C(C#N)=C\c1ccc(OC(=O)c2ccc(-c3ccccc3)cc2)c(OC)c1 207083669 USOGOECCMVPQEN-ULJHMMPZSA-N 454.526 5.405 50 10 JKGE COC(=O)c1c(-c2ccc3c(c2)CCCC3)csc1NC(=O)/C(C#N)=C\c1ccc(OC)cc1 207203035 OTGMATCKPSONJB-BKUYFWCQSA-N 472.566 5.635 50 10 JKGE CCOC(=O)c1c(NC(=O)/C(C#N)=C\c2ccc(-c3ccc(F)cc3)o2)sc2c1CC[C@H](CC)C2 209399051 KWVAIKGJALHKOJ-IYWFSZBXSA-N 492.572 6.384 50 10 JKGE CCOc1cc(/C=C2\C(=O)N([C@@H](C)c3ccccc3)C(=O)C(C#N)=C2C)ccc1OCCC(C)C 214343484 WWMCPDCTAFCKLX-MVUTXWCHSA-N 472.585 5.864 50 10 JKGE Cc1cc(C)c([C@H](Br)c2cc(I)ccc2Br)c(C)c1 235878581 ZMXKGTHNIDMGLQ-MRXNPFEDSA-N 494.008 6.463 50 10 JKGE CC(=NNC(=O)[C@H](C)SCc1ccccc1)c1cccc(NC(=O)c2cccc(Cl)c2)c1 252626936 RIPRBVCUQPNQHC-SFHVURJKSA-N 466.006 5.754 50 10 JKGE CCOc1cc(C=NNC(=O)CSCc2ccccc2)ccc1OCc1ccc(Cl)cc1 252639702 YMYRMYOUFVJMSF-UHFFFAOYSA-N 469.006 5.701 50 10 JKGE O=C(NN=Cc1cc(Br)ccc1OCc1ccc(F)cc1)c1cc2ccccc2o1 254306526 AJPQCEYXFQJSDR-UHFFFAOYSA-N 467.294 5.677 50 10 JKGE Cc1ccc(-c2nnc(SCC(=O)NN=Cc3ccc(C)s3)n2-c2ccc(C)cc2)cc1 254440793 RYQNNPQVCDNFEE-UHFFFAOYSA-N 461.616 5.163 50 10 JKGE CCOc1cc(C=NNC(=O)Cc2ccc(OC)cc2)ccc1OCc1cccc2ccccc12 254555499 VTDYUKAPYUPSKQ-UHFFFAOYSA-N 468.553 5.519 50 10 JKGE CCN(C[C@](C)(CI)OC[C@@H]1CCC[C@@H](C)C1)C(=O)OC(C)(C)C 304192650 VSMFJCFYMQTPHJ-MDZRGWNJSA-N 453.405 5.280 50 10 JKGE C[C@H](Cl)c1nc2cc(I)ccc2n1[C@@H]1CCN(Cc2ccccc2)[C@@H](C)C1 379613663 XHXGLDHLODZVGD-TXPKVOOTSA-N 493.820 6.166 50 10 JKGE COc1cc(C)c(Br)cc1[C@@H](Cl)c1sccc1I 381389014 UJGFKEHFIIAZEH-GFCCVEGCSA-N 457.558 5.760 50 10 JKGE COCCOc1ccc([C@H](Br)c2coc(Br)c2)cc1Br 382268254 INFQNIGVTBRLIK-AWEZNQCLSA-N 468.967 5.314 50 10 JKGE Fc1ccc([C@H]2CN(Cc3ccccc3)C[C@@H]2CI)cc1Br 382721289 NOXLEVLBIRJILN-JKSUJKDBSA-N 474.155 5.239 50 10 JKGE C[C@H](Cl)c1nc2cc(I)ccc2n1[C@@H]1C[C@H](C)N(Cc2ccccc2)C1 397973672 BVVQTGGCQSQZMF-RLFYNMQTSA-N 479.793 5.776 50 10 JKGE N#CSc1ccc(NC(=O)c2ccc(NC(=O)NCc3cccc(C(F)(F)F)c3)cc2)cc1 586619619 OGPJBBVQCZZBGP-UHFFFAOYSA-N 470.476 5.853 50 10 JKGE BrCc1c(Br)cccc1N1C[C@@H]2CC[C@H](C1)N2Cc1ccccc1 687235678 KHDWNJFOIUDFCZ-CALCHBBNSA-N 450.218 5.197 50 10 JKGE Cc1cc(Br)c([C@H](Br)[C@]23CCC[C@H]2OCC3)cc1Br 687346647 WQQRTSBQEMYAQK-ILXRZTDVSA-N 453.012 5.915 50 10 JKGE C[C@@H](CBr)[C@@H]1CCCCN1C(=O)c1cc(Br)sc1Br 696787056 JWJFFCCPXHFZOB-WPRPVWTQSA-N 474.056 5.299 50 10 JKGE CC1(C)CO[C@H](CC(CBr)(CBr)c2ccccc2Br)C1 708416006 VCYLOJMUKBFWMY-LBPRGKRZSA-N 469.055 5.682 50 10 JKGE C[C@@H](Cl)c1nc2cc(I)ccc2n1Cc1cnc(Br)s1 718873389 JGJMLWNWSXFQAF-SSDOTTSWSA-N 482.572 5.208 50 10 JKGE Clc1ccc([C@@H](Cl)c2ccc(I)c(Br)c2)cc1Cl 721593826 LZDWNTFOYZKASK-ZDUSSCGKSA-N 476.366 6.689 50 10 JKGE CC(/C=C\c1ccccc1F)=NNC(=O)c1ccc(OCc2ccc(Br)cc2)cc1 1081098282 RQXZIMWLGLZOER-AMZGGCQWSA-N 467.338 5.986 50 10 JKGE O=C(Cc1cccc2ccccc12)NN=Cc1ccc(SCC(=O)Nc2ccc3ccccc3c2)o1 1084353915 JDFOPMUOIRKMFU-UHFFFAOYSA-N 493.588 6.010 50 10 JKGE CC(=NNC(=O)CN(c1ccc(C)c(Cl)c1)S(=O)(=O)c1ccccc1)c1ccc(Cl)cc1 1084457696 MRAKAHSOBQSBFE-UHFFFAOYSA-N 490.412 5.038 50 10 JKGE Cc1c(Cl)cccc1NC(=O)/C(C#N)=C/c1cc(Br)ccc1OCc1ccccc1F 1084481865 COYFMQXNVDYBIP-WOJGMQOQSA-N 499.767 6.675 50 10 JKGE Cc1cc(C=NNC(=O)c2cc3ccccc3o2)c(C)n1-c1ccc(OCc2ccc(F)cc2)cc1 1084643443 XHCKRCXIUACSHD-UHFFFAOYSA-N 481.527 6.322 50 10 JKGE Cc1c(C(=O)Nc2ccc(C(C)C)cc2)oc2c1C(=NNC(=O)Cc1ccc([N+](=O)[O-])cc1)CCC2 1772747051 KZMICOGHVLVOGG-UHFFFAOYSA-N 488.544 5.271 50 10 JKGE Cc1ccc(NC(=O)c2oc3c(c2C)C(=NNC(=O)c2ccc(Cl)c([N+](=O)[O-])c2)CCC3)c(C)c1 1772748089 NJIXFCAMOZDGQV-UHFFFAOYSA-N 494.935 5.489 50 10 JKGE C[C@H](Oc1ccc(C(C)(C)C)cc1)C(=O)NN=Cc1cn(Cc2ccccc2)c2ccccc12 1772755679 CRIFDWNZCRHGHW-NRFANRHFSA-N 453.586 5.905 50 10 JKGE Cc1ccc(Cn2nc(-c3ccccc3)c3c2OC(N)=C(C#N)[C@H]3c2ccc(N(C)C)cc2)cc1 1865683730 NZYIHCYSHNHBHU-RUZDIDTESA-N 461.569 5.191 50 10 JKGE N#CC1=C(N)Oc2c(c(-c3ccccc3)nn2Cc2cccc(Cl)c2)[C@@H]1c1ccc(O)cc1 1865684794 YPHAOKLZHQXXOK-JOCHJYFZSA-N 454.917 5.176 50 10 JKGE Cc1ccc(C)c(Cn2nc(C(F)(F)F)c3c2OC(N)=C(C#N)[C@H]3c2ccc(Cl)c(Cl)c2)c1 1865684848 ABVOOPNELQSNQZ-GOSISDBHSA-N 493.316 6.092 50 10 JKGE N#CC1=C(N)Oc2c(c(C(F)(F)F)nn2Cc2ccc(Cl)cc2)[C@@H]1c1ccc(Cl)c(Cl)c1 1865685722 MALXSKBIYBLNNB-MRXNPFEDSA-N 499.707 6.129 50 10 JKGE C=CCOc1ccccc1[C@@H]1C(C#N)=C(N)Oc2c1c(-c1ccc(OC)cc1)nn2-c1ccc(C)cc1 1865691590 VYXZSCJTRQHNNZ-AREMUKBSSA-N 490.563 5.639 50 10 JKGE CCCCOc1ccc([C@@H]2C(C#N)=C(N)Oc3c2c(CCC)nn3-c2ccc(Cl)cc2)cc1 1865693285 UEWJBVDSTUUDAZ-HSZRJFAPSA-N 462.981 5.875 50 10 JKGE CCCOc1ccccc1/C=C/C(=O)NNC(=O)c1ccc(-c2ccc(Cl)cc2Cl)nc1C 1865759462 BJXHZNQFNVNUBQ-MDWZMJQESA-N 484.383 5.627 50 10 JKGE COc1ccc(C(=O)[C@@H]2CCCN2c2cc(Nc3ccc(SC#N)cc3)nc(C(C)C)n2)cc1C 1868231242 ADMSRHMKRCSHQR-QFIPXVFZSA-N 487.629 6.086 50 10 JKGE Cc1nc(Nc2ccc(SC#N)cc2)cc(N2CCN(CCCc3cccc(Cl)c3)CC2)n1 1868480910 WNYRTNXTECUTRD-UHFFFAOYSA-N 479.053 5.510 50 10 JKGE N#C/C(=C(/O)CCCCCNC(=O)c1ccccc1)c1nc(-c2ccc([N+](=O)[O-])cc2)cs1 1872746968 ICBYHXCXCQXHCI-XDOYNYLZSA-N 462.531 5.501 50 10 JKGE COCCCN1C(=O)c2ccc(/C(O)=C(\C#N)c3nc(-c4ccc(Cl)s4)cs3)cc2C1=O 1872758206 PPXKLXRYNNRDMI-CYVLTUHYSA-N 485.974 5.107 50 10 JKGE COC(=O)c1c(NC(=O)c2cc(C(F)(F)F)cc(C(F)(F)F)c2)sc(/C(C)=C/C#N)c1C 1873428978 ZHNJBUUTLAIZFF-RUDMXATFSA-N 476.398 6.060 50 10 JKGE Cc1cc(Br)c([C@H](Cl)c2sc(Cl)cc2I)s1 1901023248 KAOXEWHKELLVJX-QMMMGPOBSA-N 468.006 6.467 50 10 JKGE Brc1cccc(C[C@H]2CCCCCCCC[C@@H]2Br)c1Br 1913416878 RIBZBVNEDJMCLQ-HIFRSBDPSA-N 467.083 7.268 50 10 JKGE COc1cccc(OC)c1[C@H](Br)c1sc(Br)cc1Br 1922954699 QZLZBQJIAQVVDS-LBPRGKRZSA-N 471.008 5.775 50 10 JKGE FC1(F)CCC[C@H]1C[C@H](Br)c1c(Br)sc(Br)c1Cl 1923063274 XJKULEKVGDTSQI-WDSKDSINSA-N 487.429 7.188 50 10 JKGE Clc1c(Br)sc(Br)c1[C@@H](Br)[C@@H]1CC[C@@H]2C[C@@H]2C1 1923066849 VXZASGJAMYQGFX-PULFBKJNSA-N 463.460 6.799 50 10 JKGE C[C@@H]1CCC[C@H]1[C@@H](Cl)c1c(Br)sc(Br)c1Br 1924580426 RRILCKADWPXMJR-HCVRKRLWSA-N 451.449 6.752 50 10 JKGE C[C@@H]1COC[C@H]1[C@H](Br)c1c(Br)sc(Br)c1Br 1924612677 NHAIEJJZPVNCRR-XAHCXIQSSA-N 497.872 5.754 50 10 JKGE Clc1ccc(I)c(CC(CBr)(CBr)C2CC2)c1 1942093372 QELUJFBBRIMAOZ-UHFFFAOYSA-N 492.420 5.673 50 10 JKGE Clc1c(Br)sc(Br)c1[C@@H](Br)C12CC(CCO1)C2 2019894601 JYOSPKLAQWDMIX-GBZMYTLWSA-N 465.432 5.932 50 10 JKGE Cc1cc([C@H](Cl)c2ccc(Br)cc2Br)c(Br)s1 2024280439 YSTVELOLNUSJCC-LLVKDONJSA-N 459.428 6.672 50 10 JKGE Clc1ccc(CC(CBr)(CBr)C2CCC2)c(Br)c1 2029232571 JVYFTYAWRLNKJI-UHFFFAOYSA-N 459.447 6.221 50 10 JKGE Cc1cc(C=C(C#N)c2nnc3n2CCCCC3)c(C)n1-c1cc(C(F)(F)F)ccc1Cl 2040446633 JMJJMZINYUYLRN-UHFFFAOYSA-N 459.903 6.148 50 10 JKGE CCc1sc(Br)cc1[C@@H](Br)c1nn(C)c(Br)c1C 2049256591 UMVGQNGVLWGFMB-SNVBAGLBSA-N 457.029 5.362 50 10 JKGE CC(C)c1cc(C(F)(F)F)ccc1-n1nc(CBr)c([N+](=O)[O-])c1C(F)(F)F 2079141350 CSNIOEFMNSTGDT-UHFFFAOYSA-N 460.172 5.836 50 10 JKGE Brc1cc(Br)c([C@H](Br)[C@@H]2C[C@H]2C2CCCCC2)s1 2079392487 KSTBGZROYAXRSL-OPQQBVKSSA-N 457.069 6.926 50 10 JKGE Cc1c(Br)ccc([C@@H](Cl)c2cccc(OCc3ccccc3)c2)c1Br 2083329855 IIIKSYWISZWAGP-NRFANRHFSA-N 480.627 7.427 50 10 JKGE O=C(c1csc(Br)c1Br)N1[C@H](CBr)CCC12CCC2 2140840383 IMNSWHAHBIJGIS-QMMMGPOBSA-N 472.040 5.195 50 10 JKGE BrCc1ccc(Br)cc1N1CCc2c(Br)cccc2C1 2149905819 MUJMPRYBSWHXJA-UHFFFAOYSA-N 460.007 5.669 50 10 JKGE C[C@H](Cl)c1nc2cc(Br)c(Cl)cc2n1[C@@H]1CCN(Cc2ccccc2)[C@@H]1C 2160085214 ZSJMBTBRHOUWCO-IQUTYRLHSA-N 467.238 6.588 50 10 JKGE FC(F)[C@H]1CN(Cc2ccccc2)C[C@H]1n1c(CCl)nc2cc(Br)ccc21 2193241496 DFMPJGLMJGRGIJ-MAUKXSAKSA-N 454.746 5.476 50 10 JKGE FC1(F)C2(CCC2)C12CC([C@@H](Br)c1cc(Br)c(Br)s1)C2 2195137334 SNBFXAGULNXNKX-OILJVLCYSA-N 491.033 6.925 50 10 JKGE BrCc1cc(Br)c(OC[C@@H]2C[C@H]2C2CCCC2)c(Br)c1 2200391228 PSBBUDMQFGNYHR-STQMWFEESA-N 467.039 6.312 50 10 JKGE COc1cc(Cl)c([C@H](Cl)c2cc(Cl)cc(Br)c2)cc1Br 2202343382 FSVXCTKFZKSRCN-CQSZACIVSA-N 459.392 6.855 50 10 JKGE CC[C@H](Cl)[C@@H]1CCCCN1C(=O)c1ccc(Br)cc1I 2207270725 DFBNILMXPDHLHU-JSGCOSHPSA-N 470.576 5.066 50 10 JKGE Clc1cc2c(c([C@H](Cl)c3ccc(Br)cc3I)c1)OCC2 2207273106 ROZWJPCKPJSEOM-CQSZACIVSA-N 483.958 5.970 50 10 JKGE Cc1c(Br)sc([C@@H](Br)c2ccc(Cl)cc2Br)c1C 2218790859 OZELFVONTIZWKQ-NSHDSACASA-N 473.455 7.028 50 10 JKGE Cc1ccc(I)c([C@@H](Br)c2cc(Cl)ccc2Cl)c1 2224055821 SDKFYAUZIZKMLI-AWEZNQCLSA-N 455.948 6.391 50 10 JKGE Cc1cc(Br)c([C@@H](Cl)c2ccccc2I)c(C)c1Cl 2224311969 OKJGCKNMOXPBSU-HNNXBMFYSA-N 469.975 6.652 50 10 JKGE CCOCc1cc(Br)c([C@H](Cl)c2ccc(OCc3ccccc3)cc2)s1 2224772112 JJHWJDIOEOWOLJ-HXUWFJFHSA-N 451.813 6.954 50 10 JKGE Fc1ccc2nc(CCl)n(CC3(N(Cc4ccccc4)Cc4ccccc4)COC3)c2c1Cl 2227500414 QNOMZOICBAVVDG-UHFFFAOYSA-N 484.402 6.039 50 10 JKGE Cc1c(F)ccc([C@@H](Br)c2ccc(I)c(Cl)c2)c1F 2231081395 YPZDOQQZNLZUNF-ZDUSSCGKSA-N 457.483 6.016 50 10 JKGE CCN(C[C@](C)(CI)O[C@H]1CCCC[C@@H]1C(F)(F)F)C(=O)OC(C)(C)C 2231399039 IGROEEBTKQZGHK-ZQIUZPCESA-N 493.348 5.575 50 10 JKGE C[C@]1(C(F)(F)F)C[C@@H]1[C@H](Br)c1c(Br)cc(Cl)c(Cl)c1Cl 2232509461 CXKRQFHLKKTMGQ-OOWWRKSUSA-N 475.357 7.434 50 10 JKGE Fc1ccc(C[C@@H](Br)c2cc(Br)c(Br)cc2F)c(F)c1 2233977359 VCVAAUJWKPUOTO-SNVBAGLBSA-N 472.924 6.308 50 10 JKGE CC1(C)CN(C(=O)c2ccc(Br)cc2Br)C[C@H]1CCBr 2238462975 KCONIEGMFOAHPJ-SNVBAGLBSA-N 468.027 5.095 50 10 JKGE Cc1sc([C@@H](Br)c2scc(Br)c2Cl)cc1Br 2242672437 GFTHCOUCAADFBK-MRVPVSSYSA-N 465.457 6.781 50 10 JKGE Cc1cc(Cl)c(Cl)cc1[C@H](Br)c1cc(Br)sc1Br 2253414950 UUJDFVUNTBHTFC-NSHDSACASA-N 493.873 7.373 50 10 JKGE COc1ccc([C@H](Br)c2cnn(C)c2Br)c(Br)c1Cl 2268268483 QRHBHVUCFRTCGU-VIFPVBQESA-N 473.390 5.091 50 10 JKGE COc1ccc([C@@H](Br)c2ccc(Cl)c(F)c2)cc1I 2269545298 QOFNINOWJFAQLZ-AWEZNQCLSA-N 455.492 5.577 50 10 JKGE Brc1cc(Br)cc(C[C@@H](Br)[C@@H]2CC[C@H]3C[C@H]2CO3)c1 2277948304 LOEKTMMKDQRQTK-BSLXNSKLSA-N 453.012 5.333 50 10 JKGE Brc1cc(Br)cc(C[C@H](Br)[C@H]2CCCC3(CC3)C2)c1 2277958898 MEOUOIJZVZWSNQ-WFASDCNBSA-N 451.040 6.488 50 10 JKGE COc1cc(F)c(Br)cc1[C@H](Br)c1cccc(Cl)c1Br 2283187227 FPWNPKCFWYAUOP-CYBMUJFWSA-N 487.388 6.497 50 10 JKGE C[C@@H]1CCC[C@](CI)(OCc2c(F)cc(Br)cc2F)C1 2287181225 UAJHJNGNBIWAEA-BMIGLBTASA-N 459.112 5.628 50 10 JKGE FC1CC2(C1)CC(COc1c(Br)cc(Br)cc1CBr)C2 2287815015 ZQYKSQBEGGMKKF-UHFFFAOYSA-N 471.002 6.014 50 10 JKGE COc1c([C@H](Br)c2c(F)cc(Br)c(F)c2Br)csc1C 2288489268 RMIFDALHERNSPX-JTQLQIEISA-N 490.989 6.353 50 10 JKGE CCOc1cc(C=C(C#N)C(=O)Nc2cc([N+](=O)[O-])ccc2OC)ccc1OCc1ccc(F)cc1 2293250274 JERWZTTXMOJNBP-UHFFFAOYSA-N 491.475 5.266 50 10 JKGE COc1cc(C=CC(=O)Cl)cc(I)c1OCc1ccc(F)cc1Cl 2293941040 WAKUPWNWTSJXHV-UHFFFAOYSA-N 481.088 5.450 50 10 JKGE CCOc1cccc(NC(=O)C(C#N)=Cc2cc(C)n(-c3ccc(Cl)c(Cl)c3)c2C)c1 2294193460 RIXZTWFHJHEVDD-UHFFFAOYSA-N 454.357 6.345 50 10 JKGE Cc1cc(F)c(Br)cc1[C@H](Cl)c1cc2sc(Br)cc2s1 2295397342 CAAUYMWIRUMQER-AWEZNQCLSA-N 454.611 7.264 50 10 JKGE CCOC(=O)c1c(NC(=O)C(C#N)=Cc2ccc([C@H]3C[C@@H]3c3ccccc3)o2)sc2c1CCCC2 2296835657 JRDZYPFABDSMFB-YADHBBJMSA-N 486.593 6.213 50 10 JKGE Cc1ccccc1NC(SCc1ccc(Cl)cc1)=C(C#N)S(=O)(=O)c1ccccc1 2297350112 WLMGLPUHPCDWFA-UHFFFAOYSA-N 455.004 6.160 50 10 JKGE N#CC(=Cc1ccc(-c2cccc(Cl)c2Cl)o1)C(=O)Nc1ccc(Cl)cc1[N+](=O)[O-] 2297551683 YWLUXMDNVZDBTB-UHFFFAOYSA-N 462.676 6.361 50 10 JKGE F[C@@H]1CCC[C@H]([C@H](Br)c2cc(Br)ccc2OCc2ccccc2)C1 2299504619 OSCLKYSTOPDVKZ-VPWXQRGCSA-N 456.193 6.992 50 10 JKGE Brc1ccc(OCc2ccccc2)c([C@H](Br)[C@@H]2CC[C@H]3C[C@H]3C2)c1 2299528314 QNCRNSQIMYSDNW-GRXQJBFDSA-N 450.214 6.900 50 10 JKGE CC1(C)COC[C@H]1[C@H](Br)c1c(Br)sc(Br)c1Cl 2299623656 FPNGBCCRPIZXJC-FSPLSTOPSA-N 467.448 6.035 50 10 JKGE Fc1cccc(Br)c1[C@H](Cl)c1sc(Cl)cc1I 2301085664 GYCCBNNYOFVMDQ-JTQLQIEISA-N 465.940 6.236 50 10 JKGE N#CC(=Cc1ccccc1OCc1ccc(Br)cc1)C(=O)Nc1ccccc1Cl 2313540879 ZOMRJKOLKCJSTC-UHFFFAOYSA-N 467.750 6.227 50 10 JKGE CCOc1cc(C=C(C#N)C(=O)Nc2cccc(C)c2)ccc1OCc1c(Cl)cccc1Cl 2313636742 MVIKXTOZHICAKW-UHFFFAOYSA-N 481.379 6.825 50 10 JKGE COc1ccc(NC(=O)C(C#N)=Cc2ccccc2OCc2ccc(Cl)c(Cl)c2)cc1 2313667026 CUECJMXGAOKTOE-UHFFFAOYSA-N 453.325 6.127 50 10 JKGE Fc1cc(Cl)c(Br)c(Cl)c1[C@H](Br)c1cocc1Br 2313743826 GHCYHMDNAIDMMB-SECBINFHSA-N 481.768 6.735 50 10 JKGE Brc1cc(OCc2ccccc2)ccc1[C@@H](Br)C1CC2(CCCC2)C1 2314493222 ZFZQNEVSKXEQCH-NRFANRHFSA-N 464.241 7.435 50 10 JKGE N#CC(=Cc1ccc(-c2ccc([N+](=O)[O-])cc2Cl)o1)c1nc(-c2ccc([N+](=O)[O-])cc2)cs1 2314571879 NUMXIXLVCSGYJS-UHFFFAOYSA-N 478.873 6.604 50 10 JKGE CCCCCN1C(=O)C(=Cc2ccc(-c3ccc(Br)cc3)o2)C(C)=C(C#N)C1=O 2314610870 NNEFEAWNIYASOM-UHFFFAOYSA-N 453.336 5.492 50 10 JKGE COc1cc(C=CC(=O)Oc2ccc(C=CC#N)cc2OC)ccc1OCc1ccccc1C 2314793262 PWCRPOPWBPCPIA-UHFFFAOYSA-N 455.510 5.747 50 10 JKGE C[C@@H]1[C@H]([C@H](Br)c2c(Cl)cc(Br)c(F)c2Br)C1(F)F 2315462319 YJXQFMQVNMUJKX-JVRWWNKZSA-N 471.336 6.341 50 10 JKGE FC1(F)CCC[C@@H]2[C@H]([C@@H](Br)c3sc(Cl)cc3I)[C@H]21 2316657899 CSUHIMIDWMMREK-MYMYLCHPSA-N 467.544 6.124 50 10 JKGE Cc1c(Br)sc([C@H](Br)C23CC(C[C@H](C)O2)C3)c1Br 2319572178 ZTXHTJUCTNVAIS-QLQFPNJCSA-N 459.041 5.975 50 10 JKGE COc1c(Cl)cc(C=NNC(=O)c2nc(-c3ccccc3)sc2C)c(OC)c1Cl 2323752632 ZJUJPYRDQFLASL-UHFFFAOYSA-N 450.347 5.206 50 10 JKGE COc1cc(C=C2Oc3cc(OCc4cccc(CCl)c4)ccc3C2=O)cc(OC)c1OC 2325358412 ROIXCDYKDGYLDB-UHFFFAOYSA-N 466.917 5.646 50 10 JKGE CCCCc1ccc(-c2csc(C(C#N)=C(O)c3ccc4c(c3)C(=O)N(C(C)(C)C)C4=O)n2)cc1 2331255929 HSKKBMRQMIXBGU-UHFFFAOYSA-N 485.609 6.497 50 10 JKGE N#CC(=C(O)C=Cc1ccc2c(c1)OCCO2)c1nc(-c2ccc(Br)cc2)cs1 2331260604 QAYFGQDVZASHDK-UHFFFAOYSA-N 467.344 5.850 50 10 JKGE N#CC(=C(O)c1ccc(N2CCCC2)c([N+](=O)[O-])c1)c1nc(-c2ccccc2Cl)cs1 2331271255 BMVZDTOQOWBPMV-UHFFFAOYSA-N 452.923 5.922 50 10 JKGE COc1ccccc1-c1csc(C(C#N)=C(O)c2ccccc2I)n1 2331282376 MBQOFBMZODOBIW-UHFFFAOYSA-N 460.296 5.373 50 10 JKGE COc1ccccc1-c1csc(C(C#N)=C(O)c2ccc3c(c2)C(=O)N(Cc2ccco2)C3=O)n1 2331282389 NWQRTEQRLJSMOW-UHFFFAOYSA-N 483.505 5.158 50 10 JKGE CC(C)(C)c1ccc(OCCCC(O)=C(C#N)c2nc(C(C)(C)C)cs2)c(Br)c1 2331307070 BPFLZHCGLSBDOI-UHFFFAOYSA-N 477.468 7.152 50 10 JKGE COc1ccc(OCC(O)=C(C#N)c2nc(-c3ccc(C(C)(C)C)cc3)cs2)c(C(C)(C)C)c1 2331331897 HAHPGBCAROXZMT-UHFFFAOYSA-N 476.642 7.285 50 10 JKGE CC(C)C[C@H](C(O)=C(C#N)c1nc(-c2ccc(F)cc2)cs1)N1C(=O)c2ccccc2C1=O 2331343603 FJFSZYKSKGCMJT-OAQYLSRUSA-N 461.518 5.453 50 10 JKGE CCOc1ccc(CC(O)=C(C#N)c2nc(-c3cc(Cl)c(OC)c(Cl)c3)cs2)cc1 2331396958 RQPYBEWPMJJVHX-UHFFFAOYSA-N 461.370 6.560 50 10 JKGE COc1ccc(-c2csc(C(C#N)=Cc3ccc(OCc4ccccc4)c(OC)c3)n2)c(OC)c1 2331472960 JGOYKVJIHBBJIQ-UHFFFAOYSA-N 484.577 6.479 50 10 JKGE COc1ccc([C@@H](Br)c2cc(Br)ccc2OCc2ccccc2)c(F)c1 2336046327 CQGNJYPBRRDFNJ-OAQYLSRUSA-N 480.171 6.660 50 10 JKGE Brc1cc(OCc2ccccc2)ccc1[C@@H](Br)c1cc2c(s1)CCOC2 2336080300 YHTWALGDIQTSIR-OAQYLSRUSA-N 494.248 6.647 50 10 JKGE CCC[C@@H](C(C)C)[C@@H](Br)c1c(Cl)cc(Br)c(F)c1Br 2337082788 QFJGKLIVXKQFRW-QPUJVOFHSA-N 479.453 7.512 50 10 JKGE C[C@H](CC(C)(C)C)[C@H](Br)c1c(Cl)cc(Br)c(F)c1Br 2337082900 RITWJURQGLIMRU-HQJQHLMTSA-N 479.453 7.512 50 10 JKGE Fc1c(Br)cc(Cl)c([C@@H](Br)[C@H]2C[C@H]3CC[C@H]2C3)c1Br 2337092648 UCTGCTHOXATDKF-QZOVBDONSA-N 475.421 6.876 50 10 JKGE FC(F)COCCC(CBr)(CBr)c1ccccc1Br 2353457521 VTXWUDPBEJQSTJ-UHFFFAOYSA-N 464.970 5.149 50 10 JKGE Fc1cc(Cl)c(Br)c(Cl)c1[C@H](Cl)c1ccc(Cl)c(Br)c1 2360494862 XJPSJWUCGMCBNB-GFCCVEGCSA-N 481.801 7.639 50 10 JKGE CC(C)Cc1ccccc1[C@@H](Br)c1ccc(OCc2ccccc2)cc1Br 2361196312 WONYBQWZOMFISQ-XMMPIXPASA-N 488.263 7.711 50 10 JKGE Cc1c(F)ccc([C@@H](Br)Cc2cc(Br)cc(Br)c2)c1Cl 2363878719 FMEBTOFOLQQVDL-ZDUSSCGKSA-N 485.416 6.991 50 10 JKGE CSc1ccccc1[C@H](Br)c1c(C)cc(Br)c(F)c1Br 2365184807 GHGIYXWBWBWDCG-ZDUSSCGKSA-N 483.038 6.865 50 10 JKGE Cc1c(CBr)cccc1NC(=O)c1ccc(Cl)cc1I 2365592189 LCHZZFMRIIUXLS-UHFFFAOYSA-N 464.528 5.400 50 10 JKGE CC1(C)CCC(C)(C)[C@H](Cl)[C@H]1Cc1ccc(I)c(Br)c1 2377293829 ILWMIXYUXOHCIW-IUODEOHRSA-N 469.632 6.666 50 10 JKGE Cl[C@@H]1CC[C@@H]2CCN(Cc3ccc(I)c(Br)c3)C[C@@H]2C1 2377352909 DSCMLUJLFWGFGX-HZSPNIEDSA-N 468.604 5.283 50 10 JKGE COc1ccccc1NC(=O)/C(C#N)=C/c1cn(-c2ccccc2)nc1-c1ccc(Cl)cc1 2744028 IJUUHVIMFFHDLX-XDJHFCHBSA-N 454.917 5.747 50 10 JKGE CC(C)c1ccc(OCC(=O)NNC(=O)c2ccc(-c3ccccc3)cc2)c(Br)c1 12580202 QHMYBJHPQZXSOU-UHFFFAOYSA-N 467.363 5.080 50 10 JKGE CCc1ccc(OCC(=O)N/N=C/c2ccc3c(c2)c2ccccc2n3CC)c(Br)c1 13977515 LQBUVHCMIKPUDE-JFLMPSFJSA-N 478.390 5.668 50 10 JKGE O=C(NNC(=O)N1c2ccccc2Sc2ccccc21)c1ccc(NC(=O)C2CCCCC2)cc1 13988897 JIFRZGIPIWJPBS-UHFFFAOYSA-N 486.597 5.863 50 10 JKGE COc1ccc(/C=N/NC(=O)[C@@H](C)Oc2cccc3ccccc23)cc1CSc1ccccn1 20311406 LSAKBMNUORTXLW-HRJIBFCWSA-N 471.582 5.453 50 10 JKGE N#C/C(=C/c1ccc(-c2ccc(Cl)c(Cl)c2)o1)C(=O)Nc1ncc(Cc2ccc(F)cc2)s1 33339804 JTSUKGQNDPVQNT-YBEGLDIGSA-N 498.366 6.985 50 10 JKGE CC[C@@H](C)Oc1c(I)cc(/C=C(\C#N)c2ccc(C(=O)O)cc2)cc1OC 33477359 FFJSOGJFBBKZNH-LFMVTYOGSA-N 477.298 5.239 50 10 JKGE Cc1ccc(NC(=O)/C(C#N)=C\c2cc(Cl)cc(Cl)c2OCCOc2ccc(C)cc2C)cc1 33697893 MPWXADUJUYEGST-BKUYFWCQSA-N 495.406 6.922 50 10 JKGE C[C@H]1Oc2ccccc2C=C1/C=C(/C#N)c1nc(-c2cccs2)c(NC(=O)c2ccco2)s1 34982911 MSCWJGSYGNBTDL-QLENYVDCSA-N 471.563 6.488 50 10 JKGE Cn1c(/C(C#N)=C\c2c(Oc3ccc(C(C)(C)C)cc3)nc3ccccn3c2=O)nc2ccccc21 35549668 YHUBKVZFWGCOFX-ZPHPHTNESA-N 475.552 5.735 50 10 JKGE CCCCCOc1ccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4ccccc4C)ccc32)cc1OC 38660227 VZIDENYYQLIPAH-NDEPHWFRSA-N 498.579 6.010 50 10 JKGE N#CC1=C(N)Oc2cc(OC(=O)COc3ccccc3)ccc2[C@@H]1c1cccc(Oc2ccccc2)c1 38660787 DRUDPMUKVJWBGJ-LJAQVGFWSA-N 490.515 5.681 50 10 JKGE CCOc1cccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4oc5c(C)c(C)ccc5c4C)ccc32)c1 38701234 XTHBMYIFXRQCDE-SANMLTNESA-N 494.547 6.194 50 10 JKGE Cc1cccn2c(=O)c(/C=C(/C#N)C(=O)Nc3ccc(Cl)cc3)c(Oc3ccc(F)cc3)nc12 39858701 VFFIRPUCVFWDBG-SSZFMOIBSA-N 474.879 5.133 50 10 JKGE Cc1c(C(=O)N2c3ccccc3C[C@H]2C)oc2c1/C(=N/NC(=O)c1cccc(Cl)c1)CCC2 40813300 XGFNORNHNUCKKB-WVZIWNLSSA-N 461.949 5.303 50 10 JKGE CCCCc1ccc(NC(=O)c2oc3c(c2C)/C(=N/NC(=O)c2ccc4ccccc4n2)CCC3)cc1 40825750 BTTYERUURBWXRP-IWBSIUBASA-N 494.595 6.202 50 10 JKGE Cc1ccc(OCC(=O)N/N=C/c2ccc(OCc3ccccc3Cl)cc2)c(Br)c1 40910636 GBOUWRKOZVZJLM-LGJNPRDNSA-N 487.781 5.519 50 10 JKGE CC(C)c1cc(Br)ccc1OCC(=O)N/N=C/c1ccccc1OCc1ccccc1 40951043 QPABIZSDTWDPJC-JFLMPSFJSA-N 481.390 5.681 50 10 JKGE Cn1c(SCCCC(=O)N/N=C/c2ccccc2OCc2ccccc2)nc2ccccc21 58990390 SREHLLUORLXZMS-OVVQPSECSA-N 458.587 5.175 50 10 JKGE Cc1ccc(C)c(NC(=O)/C(C#N)=C\c2cc(Cl)ccc2OCc2ccc(Cl)cc2Cl)c1 59145781 MUZQTRXDTPYOSS-GRSHGNNSSA-N 485.798 7.388 50 10 JKGE CCCCCCCCCCCCCCCCCCN(C)C(=S)N[C@@H]1CS(=O)(=O)C[C@H]1Cl 59568396 UWERRKKKZDFYFU-DHIUTWEWSA-N 495.239 6.459 50 10 JKGE N#C/C(=C/c1cc(Cl)ccc1OCc1ccc(C(=O)O)cc1)C(=O)Nc1ccccc1Cl 96501886 NUWLUQMMXJOZBB-WQRHYEAKSA-N 467.308 5.816 50 10 JKGE Cc1ccc([C@H](C(=O)N[C@@H]2CCC[C@H](C)[C@@H]2C)N(CCC2=CCCCC2)C(=O)CCl)cc1 97914508 VMZJSCDHCQVVSX-VKZLBCMESA-N 459.074 5.935 50 10 JKGE CCOc1cc(/C=C(/C#N)C(=O)NCc2ccco2)ccc1OCCOc1ccc([C@H](C)CC)cc1 101413475 NGICOQBISPYQOT-ZALQFNEYSA-N 488.584 5.873 50 10 JKGE COc1ccc(Br)cc1[C@H](Br)c1ccc(Br)cc1F 109834851 NKVYOCGTUUGNQW-CQSZACIVSA-N 452.943 5.844 50 10 JKGE Brc1ccc(Br)c([C@@H](Br)[C@@H]2COc3ccccc3O2)c1 109844510 SJFHHWRRFAYAES-LSDHHAIUSA-N 462.963 5.488 50 10 JKGE CCOc1ccc(Br)cc1[C@@H](Br)c1ccc(OC)c(Br)c1 109871649 MLECPTBNSOARKH-INIZCTEOSA-N 479.006 6.103 50 10 JKGE Fc1ccc(COc2ccc(Br)cc2CBr)cc1Br 110376621 HXQFLXAPPYIXTD-UHFFFAOYSA-N 452.943 5.825 50 10 JKGE O=[N+]([O-])c1ccc(COc2c(Br)cccc2CBr)c(Br)c1 110378387 SLLAIKSRGUTEHW-UHFFFAOYSA-N 479.950 5.594 50 10 JKGE Brc1cc([C@H](Br)c2sccc2Br)c(Br)s1 111222954 UUHMZBZMTZSVLS-ZETCQYMHSA-N 495.881 6.581 50 10 JKGE Fc1cccc(C[C@H](Br)c2cc(Br)ccc2Br)c1F 122222980 WZYAYANRHGEFOG-LBPRGKRZSA-N 454.934 6.169 50 10 JKGE Fc1cc2c(cc1I)nc(CCl)n2-c1cc(Cl)ccc1Br 125858697 XSTGOHLFCJUGPZ-UHFFFAOYSA-N 499.936 5.924 50 10 JKGE CCOc1cc(Cl)c([C@@H](Br)c2cccc(Br)c2C)cc1Cl 164578673 GLQUQYVHTGMOKS-INIZCTEOSA-N 453.001 6.947 50 10 JKGE CCOc1ccc([C@H](Br)Cc2ccc(Cl)c(Cl)c2)cc1Br 228994340 XDKSXOQUBVLCOR-GFCCVEGCSA-N 453.001 6.833 50 10 JKGE CCCOc1ccc([C@H](Br)c2ccoc2Br)cc1Br 233251170 MWLOPCDQYSZAMR-ZDUSSCGKSA-N 452.968 6.078 50 10 JKGE COc1ccc(Br)cc1[C@@H](Br)c1ccc(Cl)c(Br)c1 234842306 UDWJOWOLTSKZHY-AWEZNQCLSA-N 469.398 6.358 50 10 JKGE Cc1sc([C@@H](Br)c2ccc(F)cc2I)cc1Br 235971388 ZNMGEOZNHJCPJM-LBPRGKRZSA-N 489.973 6.047 50 10 JKGE Cc1ccc(C=NNC(=O)CSc2nnc(-c3ccc(C(C)(C)C)cc3)n2-c2ccccc2)o1 254405363 UMKYTTUEMONVFK-UHFFFAOYSA-N 473.602 5.376 50 10 JKGE Cc1cccc(C(=O)Oc2ccc3ccccc3c2C=NNC(=O)COc2cc(C)ccc2C(C)C)c1 254557827 DCOHEOMQTDMBBO-UHFFFAOYSA-N 494.591 6.328 50 10 JKGE Cc1ccc(C)n1-c1ccc(C(=O)NN=Cc2c(OCc3ccc(F)cc3)ccc3ccccc23)cc1 254756767 GBLRVGOQQWPBRM-UHFFFAOYSA-N 491.566 6.729 50 10 JKGE CCCOc1ccc([C@@H](Cl)c2sccc2I)cc1Br 311384624 AXSNVXBFXPPPMA-CYBMUJFWSA-N 471.585 6.232 50 10 JKGE COc1cc([C@@H](Cl)c2sccc2I)c(OC)cc1Br 311408487 HXOCWTLHSXNACD-GFCCVEGCSA-N 473.557 5.461 50 10 JKGE COc1c(C)cc(Br)c(C)c1[C@@H](Br)c1ccc(OCc2ccccc2)cc1 380605795 FXEKJDFDLNGERP-QFIPXVFZSA-N 490.235 7.138 50 10 JKGE FC(F)(F)c1csc([C@H](Cl)c2cccc(OCc3ccccc3)c2)c1Br 388353285 BJJWKCIBKBVMBK-QGZVFWFLSA-N 461.730 7.437 50 10 JKGE COc1c(Br)cc(Cl)cc1[C@H](Br)c1cscc1Br 404723226 WFSKTYIGVZDZOI-NSHDSACASA-N 475.427 6.419 50 10 JKGE COc1ccc(CBr)cc1OCc1cc(Cl)ccc1I 405318657 XUCWBSXPDLMLRR-UHFFFAOYSA-N 467.528 5.427 50 10 JKGE CC(C)(C)[Si](C)(C)OCCc1cccc([C@@H]2CCCCN(S(=O)(=O)c3ccccc3)C2)c1 616631376 YOUPMMFHUCKXFF-XMMPIXPASA-N 473.755 6.209 50 10 JKGE COCc1cc(Br)c([C@H](Br)c2cc(Br)ccc2F)s1 688143378 FQPDYEHQVALEKI-GFCCVEGCSA-N 472.999 6.043 50 10 JKGE O=C(CCCSc1nnc(CCc2ccccc2)n1-c1ccccc1)NN=Cc1ccccc1F 1083971902 UKDODXDPSKSEPO-UHFFFAOYSA-N 487.604 5.214 50 10 JKGE O=C(CCCSc1nnc(CCc2ccccc2)n1-c1ccccc1)NN=Cc1ccc(F)cc1 1084158611 BOBAZHRCVXBHHG-UHFFFAOYSA-N 487.604 5.214 50 10 JKGE CCOc1cc(Br)c(/C=C(/C#N)C(=O)Nc2ccc(Cl)c(Cl)c2)cc1OC 1084574402 LYLJTLXFYPWLTL-SDQBBNPISA-N 470.150 5.709 50 10 JKGE O=C(NN=Cc1ccc(Sc2ccc(Cl)cc2)o1)Nc1ccc(Br)cc1 1084611714 DRIPLIYNJBEYKH-UHFFFAOYSA-N 450.745 6.002 50 10 JKGE Cc1c(C(=O)Nc2ccccc2Br)oc2c1C(=NNC(=O)c1ccccc1F)CCC2 1772743998 NYOKNTDZFPWSMX-UHFFFAOYSA-N 484.325 5.212 50 10 JKGE CCCOc1ccc(C=NNC(=O)COc2ccc(Br)cc2C(C)(C)C)cc1OC 1772754531 JFHJBRUAFULPJA-UHFFFAOYSA-N 477.399 5.073 50 10 JKGE CC(C)(C)c1ccc([C@@H]2C(C#N)=C(N)Oc3c2c(C(F)(F)F)nn3-c2cccc3ccccc23)cc1 1865682680 VJSYEPFPGCLJKH-JOCHJYFZSA-N 488.513 6.560 50 10 JKGE CCCOc1ccc([C@@H]2C(C#N)=C(N)Oc3c2c(-c2ccccc2)nn3Cc2ccccc2Cl)cc1 1865694066 PAPNQGHQRJQWRO-RUZDIDTESA-N 496.998 6.259 50 10 JKGE O=C(Oc1ccc2c(=O)c(-c3ccc(Cl)c(Cl)c3)c(C3CC3)oc2c1)C(Cl)Cl 1871386255 MEZHZINCJGNWCL-UHFFFAOYSA-N 458.124 6.353 50 10 JKGE C[C@H](Oc1ccc(Cl)cc1Cl)/C(O)=C(\C#N)c1nc(-c2ccc3c(c2)CCCC3)cs1 1872745436 MXRGRJWHCQYCBA-QETBKQIWSA-N 471.409 7.256 50 10 JKGE Cc1ccc(-c2csc(/C(C#N)=C(O)/C(=C/c3ccc(OC(C)C)cc3)c3ccccc3)n2)c(C)c1 1872749060 ZPCAJIMXDGPOPY-OSJPICRCSA-N 492.644 8.248 50 10 JKGE CCOc1ccc(/C=C(C(/O)=C(\C#N)c2nc(-c3cc(C)ccc3C)cs2)\c2ccccc2)cc1 1872749905 MUIWMKKLTWRQDV-YLOUKKIVSA-N 478.617 7.859 50 10 JKGE COc1ccc(/C=C(C(/O)=C(\C#N)c2nc(-c3ccc(C(C)(C)C)cc3)cs2)\c2ccccc2)cc1 1872751048 RDDRXDQSXFSWEF-MMMOHEILSA-N 492.644 8.150 50 10 JKGE COc1ccc(/C(O)=C(\C#N)c2nc(-c3cc(C(C)(C)C)ccc3OC)cs2)cc1OC 1872751349 CZRVUXHWHGSMJK-NKFKGCMQSA-N 450.560 6.083 50 10 JKGE COc1c(C)cc(C)cc1-c1csc(/C(C#N)=C(\O)CCCCCNC(=O)c2ccccc2)n1 1872755134 ZRHIBXMOYSMTHU-GYHWCHFESA-N 475.614 6.219 50 10 JKGE CCOc1cc(/C=C(\C#N)c2nc(-c3ccc(Cl)c(Cl)c3)cs2)cc(Br)c1O 1872790487 LWDCRECOYUKEDQ-WLRTZDKTSA-N 496.213 7.048 50 10 JKGE N#C/C(=C\c1ccc(OC(=O)c2ccccc2)cc1)c1nc(-c2ccc3c(c2)OCO3)cs1 1872792257 OEIUCSQDJTYLIH-UDWIEESQSA-N 452.491 5.822 50 10 JKGE N#CSc1sc(NC(=O)OCC2c3ccccc3-c3ccccc32)c(C(=O)O)c1-c1ccccc1 1887616011 UVNDQZKBDLZUFU-UHFFFAOYSA-N 498.585 7.047 50 10 JKGE Cl[C@H](c1ccc(OCc2ccccc2)cc1Br)c1cscc1Br 1899884442 JIEOTDKZJHGNEP-GOSISDBHSA-N 472.629 7.180 50 10 JKGE COc1ccc([C@@H](Br)c2c(C)nsc2Br)c(OC)c1Br 1912982829 RJMUSVKEXUZOJB-SNVBAGLBSA-N 486.023 5.478 50 10 JKGE C[C@@H](CCBr)N(Cc1ccccc1)C(=O)c1cc(Br)cc([N+](=O)[O-])c1 1915082508 KAWKXYBCKOHPDJ-ZDUSSCGKSA-N 470.161 5.173 50 10 JKGE Cc1ccc(Br)cc1C(=O)N(Cc1ccccc1)[C@H](CBr)C(C)C 1915297024 BAXHEIUBEHMKEG-LJQANCHMSA-N 453.218 5.819 50 10 JKGE Cc1cc2c(cn1)nc([C@@H](C)Cl)n2CC1(N(Cc2ccccc2)Cc2ccccc2)COC1 1917819506 IIKNLPFYLPOMKF-OAQYLSRUSA-N 461.009 5.511 50 10 JKGE C[C@@H](c1ccncc1Br)[C@@H](Br)c1cc(Br)ccc1F 1924042285 ZKRQIXXZWPZBEE-RMLUDKJBSA-N 451.959 5.985 50 10 JKGE C[C@@H](CBr)N(Cc1ccccc1)C(=O)c1cc(Br)c(Cl)s1 1956957147 JUZMKZXEXGLQMF-JTQLQIEISA-N 451.611 5.590 50 10 JKGE Cl[C@@H](CC1CC2(CCC2)C1)c1c(Br)sc(Br)c1Br 2037981279 APGOWEILJBEINV-QMMMGPOBSA-N 477.487 7.286 50 10 JKGE Fc1cc(Cl)c([C@H](Br)c2cc(Br)c(Br)s2)cc1Cl 2083777342 FFIROIPXQMQNSL-JTQLQIEISA-N 497.836 7.203 50 10 JKGE CCOC(=O)C12CC(CI)(C1)O[C@@H]2c1cccc(S(F)(F)(F)(F)F)c1 2086918918 KWECHDSHKLYCRQ-LRVUVFPRSA-N 498.251 5.932 50 10 JKGE C[C@@H]1Cc2cc([C@@H](Cl)c3sccc3I)cc(Br)c2O1 2090470299 MRMDXASGTLCDJD-JMCQJSRRSA-N 469.569 5.767 50 10 JKGE C[C@@H]1CCO[C@@H]1CC(CBr)(CBr)c1cccc(Br)c1 2096130944 ZIFUJNHNAJBZAC-BXUZGUMPSA-N 455.028 5.292 50 10 JKGE Cc1ncsc1C(C#N)=C(Cl)c1cc(Br)ccc1I 2096234467 UJWLWPPXIMQHER-UHFFFAOYSA-N 465.541 5.449 50 10 JKGE O=C(c1scc(Br)c1Br)N1[C@H]2CC[C@@H]1C[C@H](CBr)C2 2128155649 UTNVIIFGKSHIJZ-AYMMMOKOSA-N 472.040 5.051 50 10 JKGE CC(C)(C)OC(=O)N1CCC[C@](CI)(OC[C@@H]2C[C@H]2c2ccccc2)C1 2135979014 FQBFCYPPPVNPJK-BBTUJRGHSA-N 471.379 5.011 50 10 JKGE CC[C@@]1([C@@H](Br)c2c(C)c(Br)cc(C)c2Br)CCCO1 2136367891 CABHAANUWGYGOY-GJZGRUSLSA-N 455.028 6.224 50 10 JKGE CCN[C@H](c1c(C)c(Br)cc(C)c1Br)[C@H]1C[C@@H](Br)C1 2136380814 CSBGAUYIUCSTOR-RWSFTLGLSA-N 454.044 5.653 50 10 JKGE FC(F)c1cccc([C@@H](Br)c2ccc(Br)cc2Br)c1 2138874389 VSHUGVPNFYJJEE-CYBMUJFWSA-N 454.934 6.634 50 10 JKGE COc1ccccc1C[C@H](Br)c1ccc(Br)cc1I 2142279921 WPYIAXPSISPMEC-ZDUSSCGKSA-N 495.980 5.741 50 10 JKGE Cc1cc(Br)c(F)c([C@@H](Br)c2ccc(F)c(Br)c2F)c1 2145592958 GRLTUBJOELEESZ-NSHDSACASA-N 472.924 6.422 50 10 JKGE C[C@@H]1Cc2cc([C@H](Br)c3cc(Cl)sc3Cl)cc(Br)c2O1 2146628943 PXBOCWOQEBHUSK-INWYIAFRSA-N 457.014 6.625 50 10 JKGE CC(C)(C)OC(=O)N1CCC[C@H]([S@@](C)(=O)=NCC2(CBr)CCCCCC2)C1 2163059195 RFSNROHKQRJXAG-CBZJRKILSA-N 465.498 5.219 50 10 JKGE FC(F)(F)C1([C@H](Br)c2cc(Br)ccc2Br)CCCCC1 2173210863 PVMCOLJDHMUILR-GFCCVEGCSA-N 478.972 7.160 50 10 JKGE O=S(=O)(c1cc(F)ccc1CBr)N(Cc1ccccc1)CC1CCCCC1 2179784651 BWKVGRQVINRNTH-UHFFFAOYSA-N 454.405 5.492 50 10 JKGE CCCOc1ccc(S(=O)(=O)N(Cc2ccccc2)C(C)(C)C)cc1CBr 2179826896 YKAZAJOOFOFXGK-UHFFFAOYSA-N 454.430 5.360 50 10 JKGE Clc1ccc(Br)c(CO[C@H](CBr)c2ccccc2Br)c1 2200756235 ZYHIOJOYLVYQTG-OAHLLOKOSA-N 483.425 6.518 50 10 JKGE Clc1ccccc1[C@H](Br)c1c(Br)cc(Cl)c(Cl)c1Cl 2224301520 BCQDYJFPVWHMCK-NSHDSACASA-N 463.811 7.547 50 10 JKGE CC1(C)C(C)(C)C1(C)[C@H](Br)c1cc(Br)c(Br)cc1F 2225636040 ZGLAFJDRPXSVSO-GFCCVEGCSA-N 457.019 6.859 50 10 JKGE CCOc1ccc([C@@H](Br)c2cc(Br)c(C)s2)cc1Br 2226082707 SLMPVJRGANXFPO-CQSZACIVSA-N 469.036 6.465 50 10 JKGE Cc1c(Br)ccc([C@H](Br)[C@@H]2CCCC(C)(C)O2)c1Br 2226847803 DDQMHOXBTHHKNU-JSGCOSHPSA-N 455.028 6.304 50 10 JKGE COc1cccc([C@@H](Br)c2cc(Br)c(Br)cc2F)c1C 2233974934 HQPADQDFHCNVMN-OAHLLOKOSA-N 466.970 6.152 50 10 JKGE CCCCCCc1ccc([C@@H](Br)c2cc(Br)c(Cl)s2)s1 2234131865 AJLGYHCYRZPVPU-CQSZACIVSA-N 456.696 7.833 50 10 JKGE Cc1ccc([C@@H](Br)c2c(Br)cc(C)c(Br)c2C)c(C)c1 2235597143 AYDOWXOKOOVPRN-QGZVFWFLSA-N 461.035 6.930 50 10 JKGE Cc1cc(Br)c([C@@H](Br)C[C@@H]2CCCC2(F)F)c(C)c1Br 2235610393 FDVAKMBZSWLMDZ-JQWIXIFHSA-N 475.009 7.090 50 10 JKGE Cc1cc(Br)c([C@@H](Br)C(C)(C)[C@@H]2CCCO2)c(C)c1Br 2235616237 ZSRHHFTWCOSVAV-SWLSCSKDSA-N 469.055 6.470 50 10 JKGE CCc1nc([C@H](Br)c2ccc3c(c2Br)CCO3)c(Br)s1 2238071110 LFHBLECAGHVFIT-GFCCVEGCSA-N 482.035 5.650 50 10 JKGE O=C(c1cc(Br)c(Br)s1)N1[C@H](CBr)C[C@H]2CCCC[C@H]21 2240768051 WRFOLBABFYYLDO-WCABBAIRSA-N 486.067 5.441 50 10 JKGE Clc1sc([C@@H](Br)c2scc(Br)c2Cl)cc1Br 2242673027 NXWBUNHLJCOOGZ-ZCFIWIBFSA-N 485.875 7.126 50 10 JKGE CC(C)C(F)(F)[C@H](Br)c1c(F)cc(Br)c(F)c1Br 2260069191 SJPPLPZPFOZEQW-SNVBAGLBSA-N 456.897 6.217 50 10 JKGE Fc1cc(Br)c(F)c(Br)c1[C@H](Br)[C@@]12CCCC[C@H]1C2 2272727760 VJGMTGAESSGQHQ-HNWMMTHTSA-N 458.966 6.506 50 10 JKGE Cc1cc(Br)c(C)c([C@H](Br)[C@H]2CCC[C@@H]2C(F)F)c1Br 2285649691 HARHHLCMRLRDHW-PKFCDNJMSA-N 475.009 6.946 50 10 JKGE C[C@H](CCCCCI)NC(=O)c1cc(Br)c(F)cc1Cl 2285959222 UABFNGAAPUPHOL-SECBINFHSA-N 476.555 5.355 50 10 JKGE CC(C=NNC(=O)CSc1nnc(-c2ccc(Cl)cc2)n1C1CCCCC1)=Cc1ccco1 2293276324 COWQEXAQLBFABU-UHFFFAOYSA-N 484.025 5.994 50 10 JKGE Cc1ccc(OCCOc2c(Cl)cc(Cl)cc2C=C(C#N)c2ccc([N+](=O)[O-])cc2)c(C)c1 2293452798 LZMDYCBWKRNLER-UHFFFAOYSA-N 483.351 7.040 50 10 JKGE COc1cc(C)c(Cl)cc1[C@H](Br)c1cc(C)ccc1I 2295291193 CVQBAPKGTVXLOA-MRXNPFEDSA-N 465.556 6.054 50 10 JKGE COc1ccccc1NC(=O)C(C#N)=C1S[C@H](Cc2cccc(C)c2)C(=O)N1c1ccccc1 2295987634 DNMCTGBRSGKUOP-XMMPIXPASA-N 469.566 5.069 50 10 JKGE Cc1cc(C)c(NC(SCc2cccc(F)c2)=C(C#N)S(=O)(=O)c2ccccc2)c(C)c1 2297350159 DNGNQBNBBDVLQL-UHFFFAOYSA-N 466.603 6.263 50 10 JKGE CCCC1CC([C@@H](Br)c2ccc(OCc3ccccc3)cc2Br)C1 2299525029 JXTVSWOUCZELRK-MYKUNDNFSA-N 452.230 7.290 50 10 JKGE Brc1cc(OCc2ccccc2)ccc1[C@@H](Br)[C@@]12CC[C@@H](CO1)C2 2299535680 RNAADRYWVRIBCX-YSGRDPCXSA-N 452.186 6.033 50 10 JKGE Clc1ccc(CO[C@H]2CCCC[C@H]2I)c(I)c1 2301817713 JTLCVFYDGDRPNJ-YPMHNXCESA-N 476.523 5.207 50 10 JKGE Cc1scc([C@H](Br)c2c(C)sc(Br)c2C)c1Br 2303599986 BJSPYLGRAHWBKI-NSHDSACASA-N 459.066 6.744 50 10 JKGE FC(F)(F)[C@H]1C[C@@H]([C@@H](Br)c2sc(Cl)cc2I)C1 2307507779 IGGSAQVOBFESAU-GLDDHUGJSA-N 459.496 6.031 50 10 JKGE N#CC(=Cc1ccc(OCc2ccccc2F)cc1)C(=O)Nc1sc2c(c1C#N)CCCC2 2313630816 VGAWSNWEYPNLHA-UHFFFAOYSA-N 457.530 5.762 50 10 JKGE COc1cc(C=C(C#N)C(=O)Nc2ccc(C)cc2C)ccc1OCc1ccc(Br)cc1 2313667467 NKWKMGLFZWJTJI-UHFFFAOYSA-N 491.385 6.199 50 10 JKGE COc1cccc([C@@H](Br)c2cc(Br)ccc2OCc2ccccc2)c1 2314449647 RLWVWSRETFOKIH-OAQYLSRUSA-N 462.181 6.521 50 10 JKGE CCOc1ccc(-c2nn(-c3ccccc3)cc2C=C(C#N)C(=O)N2CCCCC2)cc1Cl 2314476630 SADGRNCFYUUUSA-UHFFFAOYSA-N 460.965 5.511 50 10 JKGE C=CCNC(=O)C(C#N)=C1S[C@@H](Cc2cccc(Cl)c2)C(=O)N1c1ccc(C(C)C)cc1 2314593877 VJSSOKRNRGLIPN-QFIPXVFZSA-N 466.006 5.192 50 10 JKGE CCOc1ccccc1[C@H]1C(C#N)=C(N)Oc2cc(OC(=O)C=Cc3ccc(C)cc3)ccc21 2314634129 PXAKVGCJERJDOC-HHHXNRCGSA-N 452.510 5.231 50 10 JKGE CCCCCCOc1ccc(C=C(C#N)C(=O)Nc2ccc(OCc3ccccc3)cc2)cc1OC 2314728856 OEDXDUMAYLJZRR-UHFFFAOYSA-N 484.596 6.779 50 10 JKGE CC1(C)CC[C@@H]1[C@H](Br)c1c(Cl)cc(Br)c(F)c1Br 2315447088 JVSYBOPUXYAVSU-LDWIPMOCSA-N 463.410 6.876 50 10 JKGE Cc1c([C@H](Br)c2sc(Cl)cc2I)ccc(Cl)c1Cl 2316985654 WWNCZPBJXPGZOT-JTQLQIEISA-N 496.422 7.106 50 10 JKGE Cc1cc(Br)c(F)c(Br)c1[C@H](Br)[C@@H]1C[C@H]1C(F)F 2317404182 RQPVQIDKUGXRQT-HCVRKRLWSA-N 450.918 5.996 50 10 JKGE CCOc1ccc([C@@H](Br)c2ccc(Cl)cc2I)s1 2317774662 RLIQQDPSXYGVLH-ZDUSSCGKSA-N 457.558 5.889 50 10 JKGE CCN(CC)c1ccc(C=NNC(=O)c2ccc(-c3ccc(Cl)cc3Cl)nc2C)cc1 2321242202 OKTYXMNYWCXZJL-UHFFFAOYSA-N 455.389 5.974 50 10 JKGE CCOC(=O)c1c(-c2ccc([N+](=O)[O-])cc2)csc1NC(=O)C(C#N)=Cc1cccc(F)c1 2329674048 DMOLNAWHJYTWAT-UHFFFAOYSA-N 465.462 5.185 50 10 JKGE CCOC(=O)c1c(NC(=O)C(C#N)=Cc2cccc(Cl)c2)sc(C)c1-c1ccc(Cl)cc1 2329687309 MITKTZCSZBPRTQ-UHFFFAOYSA-N 485.392 6.753 50 10 JKGE N#CC(=C(O)c1ccc(N2CCCC2)c([N+](=O)[O-])c1)c1nc(-c2ccc([N+](=O)[O-])cc2)cs1 2331281257 ABXVONUFIAUCPD-UHFFFAOYSA-N 463.475 5.177 50 10 JKGE COc1ccc(OCCCC(O)=C(C#N)c2nc(-c3cc(C)cc(C)c3OC)cs2)cc1 2331373259 RNXGIERWSFYDGA-UHFFFAOYSA-N 450.560 6.096 50 10 JKGE CC(C)[C@@H](C(O)=C(C#N)c1nc(-c2ccc(Cl)s2)cs1)N1C(=O)c2ccccc2C1=O 2331400786 UYXFVOFMOVIGHY-SFHVURJKSA-N 469.975 5.638 50 10 JKGE COc1ccc(Cl)cc1-c1csc(C(C#N)=C(O)CCc2nc3ccccc3[nH]c2=O)n1 2331411051 IALZOVYZNJZYRH-UHFFFAOYSA-N 464.934 5.134 50 10 JKGE COc1ccc(-c2csc(C(C#N)=C(O)Cc3cccc4ccccc34)n2)c(OC)c1OC 2331411723 GCKZSTFNVFYCFJ-UHFFFAOYSA-N 458.539 6.024 50 10 JKGE CCCCCCOc1ccc(C=C(C#N)c2nc(-c3ccc(Br)cc3)cs2)cc1OC 2331429782 DACLSXUVALUNQC-UHFFFAOYSA-N 497.458 7.604 50 10 JKGE CCOc1cc(C=C(C#N)c2nc(-c3ccc(F)c(C)c3)cs2)ccc1OCc1ccc(C)cc1 2331447398 OBQNSLYHUPGDRY-UHFFFAOYSA-N 484.596 7.608 50 10 JKGE CCCc1sc(Br)cc1[C@H](Br)c1nn(C)c(Cl)c1Br 2338027342 VXBWHASVGFOAEU-VIFPVBQESA-N 491.474 6.097 50 10 JKGE Cc1cc(Br)c(F)c(Br)c1[C@@H](Br)c1cccc(F)c1 2339646893 WBBUMOFVOUYANB-LBPRGKRZSA-N 454.934 6.283 50 10 JKGE Cc1cc(Br)c(C)c([C@@H](Br)[C@H]2COC3(C)CC2C3)c1Br 2362924193 RNAFOLGWRFTZIR-DZGFNVRVSA-N 467.039 6.080 50 10 JKGE FC(F)(F)c1ccc([C@@H](Cl)c2sc(Cl)cc2I)c(Cl)c1 2364113682 BTZQUJKCXLJYHV-SNVBAGLBSA-N 471.496 7.007 50 10 JKGE Cc1ccc(I)c([C@H](Br)CCc2cc(Cl)cc(Cl)c2)c1 2366904890 XYKKQQZWNWCTEJ-OAHLLOKOSA-N 484.002 6.975 50 10 JKGE O[C@@](CCCl)(Cc1ccc(I)c(Br)c1)c1ccccc1 2377264593 VYRDMZBVZLTWBF-INIZCTEOSA-N 465.556 5.113 50 10 JKGE CC1CCC([C@@H](CBr)NCc2cccc(Br)c2Br)CC1 2379755771 QWDFDRFLCGMTEB-KOHJWAIASA-N 468.071 5.891 50 10 JKGE C[C@@H](Br)CN(CCC(C)(C)C)Cc1cc(I)ccc1Cl 2380531221 MLCWBCNPHOVZBU-GFCCVEGCSA-N 472.636 5.966 50 10 JKGE Clc1ccc(I)cc1CN1C[C@H](Br)C[C@H]2CCCC[C@H]21 2380531782 UNOUAHZTYUJYKZ-AXAPSJFSSA-N 468.604 5.473 50 10 JKGE Cc1cccc(C[C@H]2S/C(=C(\C#N)C(=O)NCc3ccccc3)N(c3ccc(Cl)cc3)C2=O)c1 935211 LAKLKASKMCQIAK-GUNDDFSMSA-N 488.012 5.391 50 10 JKGE CC(C)(C)CC(C)(C)c1ccc(OCC(=O)N/N=C/c2ccc(I)o2)cc1 3050684 SNXFUOQWZYGTHP-FSJBWODESA-N 482.362 5.127 50 10 JKGE CC(C)(C)c1cc(/C=C(/C#N)C(=O)Nc2ccc(Br)cc2F)cc(C(C)(C)C)c1O 6075300 ZFJRNCXQYHBSCJ-DHDCSXOGSA-N 473.386 6.434 50 10 JKGE Cc1cc(OCC(=O)NNC(=O)c2ccc(-c3ccccc3)cc2)c(C(C)C)cc1Br 12489187 UYRFKXQMXRYWFE-UHFFFAOYSA-N 481.390 5.388 50 10 JKGE CCOc1cc(/C=C2/C(=O)N(Cc3ccco3)C(=O)C(C#N)=C2C)ccc1OCc1ccc(C)cc1 38606974 LVUHKPPQISSPGM-ZVHZXABRSA-N 482.536 5.358 50 10 JKGE CCCCOc1ccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4cccc(OC)c4)ccc32)cc1 38650756 HITHVPDCOVPBBG-SANMLTNESA-N 470.525 5.311 50 10 JKGE N#CC1=C(N)Oc2cc(OC(=O)c3ccccc3[N+](=O)[O-])ccc2[C@H]1c1cccc2ccccc12 38657767 HXCWRLLSGCJSMK-RUZDIDTESA-N 463.449 5.185 50 10 JKGE CCCCOc1cccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4ccc(F)cc4)ccc32)c1 38685078 OOTQRZZLMMAIRE-VWLOTQADSA-N 458.489 5.442 50 10 JKGE CCCCCOc1ccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4cccc(Cl)c4)ccc32)cc1 38685495 DMKSAWZEZPMVNE-AREMUKBSSA-N 488.971 6.346 50 10 JKGE N#C/C(=C/c1c(Oc2ccccc2F)nc2ccccn2c1=O)C(=O)Nc1cccc(Cl)c1Cl 39858720 SRYSBTLYYAKOAC-OWBHPGMISA-N 495.297 5.478 50 10 JKGE COc1ccc(-c2nn(-c3ccccc3)cc2/C=C2/C(=O)N(C3CCCC3)C(=O)C(C#N)=C2C)cc1C 40514530 SRUPAYBOCWWJAU-PCLIKHOPSA-N 492.579 5.391 50 10 JKGE O=C(NNc1ncnc(N(Cc2ccccc2)Cc2ccccc2)c1[N+](=O)[O-])c1cccc(Cl)c1 40607338 LDQIUJMJCDIMBU-UHFFFAOYSA-N 488.935 5.002 50 10 JKGE Cc1c(C(=O)Nc2ccc(F)cc2)oc2c1/C(=N/NC(=O)c1ccc(Cl)c([N+](=O)[O-])c1)CCC2 40813473 NFGIJUDLPVCZQK-WPWMEQJKSA-N 484.871 5.011 50 10 JKGE COc1cc(/C=N\NC(=O)CC[C@@H](O)c2ccccc2)ccc1OCc1ccc(Cl)cc1Cl 58887315 GKOUOJFJGSRYOH-HSMHNTNPSA-N 487.383 5.545 50 10 JKGE CCOc1ccc([C@H](O)CCC(=O)N/N=C/c2cn(Cc3ccccc3Cl)c3ccccc23)cc1 58894691 XXVCPQMTSDZVBR-ZIBFIRQOSA-N 490.003 5.706 50 10 JKGE C[C@H](NC(=O)/C(C#N)=C/c1cc(Br)ccc1OCc1cccc(F)c1)c1ccccc1 59233108 PXERVMGCPDCAGY-RSZPVBOMSA-N 479.349 5.952 50 10 JKGE O=C(N/N=C\c1ccc(Oc2ccc(C(F)(F)F)cc2[N+](=O)[O-])cc1)c1ccc(Cl)cc1Cl 59462944 MJLMHSMKRYOJHF-BCHBDCPOSA-N 498.244 6.477 50 10 JKGE O=C(N/N=C/c1ccc(Cl)cc1Cl)c1ccc([C@@H]2Nc3ccccc3[C@@H]3C=CC[C@H]32)cc1 59471613 GIMMOLPHFIGUNM-MYWNHGAJSA-N 462.380 6.584 50 10 JKGE Fc1cc([C@H](Br)c2ccc(I)cc2)c(F)cc1Br 70474536 KGXAWQNLVWQWFU-CYBMUJFWSA-N 487.907 5.816 50 10 JKGE CSc1cccc(N/C(SCc2cccc(Cl)c2)=C(\C#N)S(=O)(=O)c2ccccc2)c1 96482168 VWMRUYKFHSNACL-FCQUAONHSA-N 487.071 6.574 50 10 JKGE Cc1ccc([C@H](Br)c2cc(Cl)c(Br)cc2F)cc1Br 97896115 CQPYDQGBNDBKKF-AWEZNQCLSA-N 471.389 6.797 50 10 JKGE Brc1ccc(Br)c([C@H](Br)c2cc3c(s2)CCC3)c1 109844386 DYTRTHGZSWFICQ-AWEZNQCLSA-N 451.021 6.246 50 10 JKGE Fc1ccc(C(CBr)(CBr)Cc2ccc(Cl)cc2Cl)cc1 118877274 KFPSEVZAOZHPFU-UHFFFAOYSA-N 454.992 6.403 50 10 JKGE O=C1CCc2cc([C@H](Br)c3cc(Br)c(Br)s3)ccc2N1 128549683 DHOHDBOYDXBNCG-ZDUSSCGKSA-N 480.019 5.642 50 10 JKGE FC(F)(F)Oc1ccc([C@@H](Br)c2cc(Br)sc2Br)cc1 131402884 AVHDPYRMYXLZBJ-SNVBAGLBSA-N 494.952 6.656 50 10 JKGE COc1cc(Br)ccc1[C@@H](Cl)c1cc(Br)c(C)cc1Br 160788502 NAKBIDMJLCQLQK-OAHLLOKOSA-N 483.425 6.619 50 10 JKGE COc1cc(/C=C(/C#N)c2ccccc2)ccc1OC(=O)CCCCCN1C(=O)c2ccccc2C1=O 206218812 PEHCQWMVZKZNBA-NKFKGCMQSA-N 494.547 5.521 50 10 JKGE CCOc1ccc(/C=C(/C#N)C(=O)N(c2ccc(C)cc2)S(=O)(=O)c2ccc(C)cc2)cc1OC 207130659 QIIXIPWEHPVYDG-JWGURIENSA-N 490.581 5.040 50 10 JKGE CCCCCN1C(=O)C(C#N)=C(C)/C(=C/c2cn(-c3ccccc3)nc2-c2ccccc2)C1=O 214231573 PRXVYJXNSZOGJP-ULJHMMPZSA-N 450.542 5.322 50 10 JKGE CC(C)(C)C[C@H](Br)CNC(=O)c1cc(Br)cc(Br)c1 232499116 LYPDGGIOXIJZGH-LBPRGKRZSA-N 456.016 5.141 50 10 JKGE COc1cc(F)c(Br)cc1[C@H](Br)c1ccc(Br)c(Cl)c1 234913544 KNBBTBOZGYYUOR-CQSZACIVSA-N 487.388 6.497 50 10 JKGE COc1cc(F)c(Br)cc1[C@H](Br)c1ccc(C)cc1Br 234914042 ZXLZIGRFNWJARL-OAHLLOKOSA-N 466.970 6.152 50 10 JKGE Clc1ccc(I)c([C@@H](Br)c2cc(Cl)sc2Cl)c1 236069133 MOAOXUNOAFPHJW-SNVBAGLBSA-N 482.395 6.797 50 10 JKGE O=C(NN=Cc1c(Cl)cccc1Cl)c1ccc(OCc2cccc(Br)c2)cc1 254483602 IHDCZHPGZYPUGC-UHFFFAOYSA-N 478.173 6.099 50 10 JKGE CCCCOc1ccc(C(=O)Oc2ccc(C=NNC(=O)Cc3cccc4ccccc34)cc2)cc1 254735928 FEJBTYNDOWBYAQ-UHFFFAOYSA-N 480.564 5.931 50 10 JKGE CCCCCCCCOc1ccc(-c2cc(C(=O)NN=Cc3cccc(OC)c3OC)[nH]n2)cc1 254845647 OGUZAWUWCAMJNC-UHFFFAOYSA-N 478.593 5.597 50 10 JKGE BrCc1cn(-c2c(Br)cc(Br)cc2Br)cn1 300755115 UBSPSGVCLVQYDX-UHFFFAOYSA-N 473.788 5.055 50 10 JKGE C[C@@H](Br)C[C@@H]1CCCCN1C(=O)c1ccc(I)c(Cl)c1 313010695 WHJGHINLODVLFX-PWSUYJOCSA-N 470.576 5.113 50 10 JKGE C[C@H]1CN(Cc2ccccc2)CCN(c2ccc(CBr)c(Br)c2)C1 323463720 JNSWQVJCGPUEHI-INIZCTEOSA-N 452.234 5.302 50 10 JKGE O=S(=O)(c1cc(CCl)ccc1Br)N(Cc1ccccc1)Cc1ccccc1 380904905 YDSVHWSWJMTBOJ-UHFFFAOYSA-N 464.812 5.579 50 10 JKGE Fc1c(Br)cccc1[C@H]1CN(Cc2ccccc2)C[C@@H]1CI 382684346 GPYYGMJIBGNUGV-HOCLYGCPSA-N 474.155 5.239 50 10 JKGE CCOc1ccc([C@H](Br)c2nscc2Br)cc1Br 404791794 FRFWOGLQJHERMW-NSHDSACASA-N 455.997 5.551 50 10 JKGE Fc1cc([C@H](Br)Cc2ccc(Br)cc2F)c(F)cc1Br 692792925 QOTWLWUDQRCFRW-SNVBAGLBSA-N 472.924 6.308 50 10 JKGE Cn1ncc(Br)c1[C@@H](Br)c1cc(Br)ccc1Br 693045758 ANYZJQUBCXKDIA-JTQLQIEISA-N 487.815 5.192 50 10 JKGE CC1(C)CC[C@H](CBr)N(C(=O)c2cc(Br)ccc2Br)C1 701595634 MIWGLVCJNPPEQL-LLVKDONJSA-N 468.027 5.237 50 10 JKGE COc1ccc(Oc2cccc(Cl)c2CBr)cc1I 712918800 FGRVITWMABQZCT-UHFFFAOYSA-N 453.501 5.640 50 10 JKGE C[C@@H](O[C@@]1(CI)CCCN(C(=O)OC(C)(C)C)C1)C1CCCCC1 719736915 OCSKRIAPUGCOGE-DNVCBOLYSA-N 451.389 5.177 50 10 JKGE Cc1cc(F)cc(C)c1[C@H](Br)c1ccc(I)c(Br)c1 721615094 RBTBPOWJGZTXCA-OAHLLOKOSA-N 497.971 6.294 50 10 JKGE O=C(CSc1ccc(Cl)cc1)NN=Cc1ccc(OCc2ccc(Br)cc2)cc1 1084036599 PSVRAZBYTPPBLO-UHFFFAOYSA-N 489.822 5.924 50 10 JKGE Cc1c(C(=O)Nc2ccccn2)oc2c1C(=NNC(=O)c1ccc(Cl)cc1Cl)CCC2 1772745511 CYZNPEMGWIHTGV-UHFFFAOYSA-N 457.317 5.013 50 10 JKGE Cc1cc(OCC(=O)NN=Cc2c(Cl)cccc2Cl)c(Br)c(C)c1Cl 1772756554 RTBPOQJJQKMWKX-UHFFFAOYSA-N 464.574 5.555 50 10 JKGE CCc1nn(Cc2cc(C)ccc2C)c2c1[C@H](c1ccc(Cl)c(Cl)c1)C(C#N)=C(N)O2 1865685110 DDPMYOJZBMJFRG-OAQYLSRUSA-N 453.373 5.636 50 10 JKGE COc1cc([C@H]2C(C#N)=C(N)Oc3c2c(C)nn3Cc2ccc(C)cc2)ccc1OCc1ccccc1 1865687031 HUTQCJQOCHNABN-NDEPHWFRSA-N 492.579 5.354 50 10 JKGE CCOc1c(OC)cccc1[C@H]1C(C#N)=C(N)Oc2c1c(-c1ccccc1)nn2-c1ccccc1 1865692524 GSOMVJGMVKZTII-QHCPKHFHSA-N 464.525 5.165 50 10 JKGE N#CC1=C(N)Oc2c(c(C(F)(F)F)nn2Cc2c(F)cccc2Cl)[C@H]1c1c[nH]c2ccccc12 1865700074 KQWWYQOBNPLJRV-GOSISDBHSA-N 487.844 5.442 50 10 JKGE Cc1nc(-c2ccc(Cl)c(Cl)c2)ccc1C(=O)NNC(=O)[C@H](C)Oc1ccc(C(C)C)cc1 1865759111 IVAMDLQEYWNUAH-INIZCTEOSA-N 486.399 5.716 50 10 JKGE Cc1ccc([C@H](C(=O)N[C@@H](C(=O)Nc2ccc(SC#N)cc2)c2ccccc2)C(C)C)cc1 1866961374 VAUSDASLQLLCAQ-JWQCQUIFSA-N 457.599 5.804 50 10 JKGE CC(C)[C@@H](C(=O)N[C@H](Cc1ccccc1)C(=O)Nc1ccc(SC#N)cc1)c1ccc(F)cc1 1866970110 WAFWYPHODRASSJ-JWQCQUIFSA-N 475.589 5.505 50 10 JKGE CC[C@@](C)(NC(=O)C[C@H](c1ccccc1)c1ccc(F)c(F)c1)C(=O)Nc1ccc(SC#N)cc1 1867131190 CHFGDSCBGCXXIS-AJTFRIOCSA-N 493.579 5.984 50 10 JKGE Cc1ccccc1-c1nc(Nc2ccc(SC#N)cc2)cc(N2CCc3ccccc3[C@@H]2C(C)C)n1 1868301490 PXRPUALWQJPNKJ-LJAQVGFWSA-N 491.664 7.529 50 10 JKGE CCOC(=O)Oc1ccc(/C(O)=C(\C#N)c2nc(-c3ccc(-c4ccccc4)cc3)cs2)cc1 1872743905 SAXZRFGKKIFSAW-BZZOAKBMSA-N 468.534 6.962 50 10 JKGE CCCc1ccc(OC/C(O)=C(\C#N)c2nc(-c3cccc(Br)c3)cs2)cc1 1872746266 ZYCNLKXSIZNHQD-VZCXRCSSSA-N 455.377 6.397 50 10 JKGE COc1ccc(C(C)(C)C)cc1-c1csc(/C(C#N)=C(\O)c2ccc(-c3ccccc3)cc2)n1 1872751451 IIBLTXGEPSJULV-PNHLSOANSA-N 466.606 7.733 50 10 JKGE CCCCCCCOc1ccc(-c2csc(/C(C#N)=C(\O)Cc3cc(OC)ccc3OC)n2)cc1 1872753480 ZEKBNNDQSSPDKW-LCUIJRPUSA-N 492.641 7.212 50 10 JKGE COc1cc(/C=C/C(O)=C(\C#N)c2nc(-c3cc(C)c(Cl)cc3OC)cs2)ccc1OC(C)=O 1872756827 CLOJPFQGSOOYOL-GTCCBDGYSA-N 496.972 6.221 50 10 JKGE COc1ccc(-c2csc(/C(C#N)=C(\O)[C@H](C)Oc3ccccc3C(C)C)n2)c(OC)c1OC 1872759649 VHOSJWRUNWAIEL-JJXNMMKVSA-N 480.586 6.219 50 10 JKGE COc1ccc(-c2csc(/C(C#N)=C(\O)CCCOc3c(C)cccc3C)n2)c(OC)c1OC 1872759743 YFAPITYVRKYYAT-VZCXRCSSSA-N 480.586 6.105 50 10 JKGE CCCOc1ccc(-c2csc(/C(C#N)=C/c3ccc(OC(C)C)c(OC)c3)n2)cc1OCCC 1872790079 JQEJNDUYSOVKRS-HYARGMPZSA-N 492.641 7.248 50 10 JKGE CC[C@@H](Cl)CN(Cc1ccccc1)C(=O)c1ccc(Cl)cc1I 1901581627 DXFAJTVCPCCYIO-CQSZACIVSA-N 462.158 5.604 50 10 JKGE O=C(c1ccc(OCc2ccccc2)cc1)N(Cc1ccccc1)C1(CBr)CCC1 1915750533 WGNOLPQMHMUUQH-UHFFFAOYSA-N 464.403 6.226 50 10 JKGE Cc1c(Br)sc([C@@H](Br)c2cccc3ccccc23)c1Br 1922883552 PHUGUGILFONBSE-AWEZNQCLSA-N 475.043 7.219 50 10 JKGE Cc1c(Br)sc([C@@H](Br)C2CC3(CCCC3)C2)c1Br 1922935550 QVNWXQPFONNEKV-NSHDSACASA-N 457.069 6.988 50 10 JKGE Clc1ccc([C@H](Cl)c2c(Br)sc(Br)c2Cl)cc1Cl 1923039507 OZCAESITVJJYBK-QMMMGPOBSA-N 469.840 7.562 50 10 JKGE C[C@@H]1C[C@@H]2C[C@@H]2C[C@H]1[C@H](Br)c1c(Br)sc(Br)c1Cl 1923065819 HTJMQLWDPLFSHG-PZACJGDYSA-N 477.487 7.045 50 10 JKGE Clc1c(Br)sc(Br)c1[C@H](Br)[C@@H]1C[C@H]2C[C@H]1[C@H]1C[C@@H]12 1923073870 BYISXSXRJAKGMH-YMUYGMJNSA-N 475.471 6.655 50 10 JKGE C[C@](CBr)(Cc1c(Br)cccc1Br)C1CCCCC1 1923895559 QFEJWRRIAXZTFJ-MRXNPFEDSA-N 453.056 6.736 50 10 JKGE C[C@@H]([C@@H](Br)c1c(Br)sc(Br)c1Br)C(C)(C)C 1924604894 JSJRKEVBIRCPAM-CAHLUQPWSA-N 497.916 7.154 50 10 JKGE CCCCCCCCC[C@@H](Br)c1c(Cl)sc(Br)c1Cl 1925591278 WHERZUXELPDFAG-SNVBAGLBSA-N 451.095 8.394 50 10 JKGE CN(CCN(Cc1ccccc1)c1cc(CCl)c(Br)cn1)Cc1ccccc1 1931963206 FBSYXQUELPUBKV-UHFFFAOYSA-N 458.831 5.722 50 10 JKGE Clc1sc(Br)c(Cl)c1[C@H](Br)c1cc(Br)sn1 1983291402 URUAACOBTBNGFV-RXMQYKEDSA-N 486.863 6.521 50 10 JKGE COCCC1([C@H](Br)c2c(Br)sc(Br)c2Cl)CC1 1996217131 YETJKDLQLXERIM-MRVPVSSYSA-N 467.448 6.179 50 10 JKGE COc1ccc(Br)cc1[C@@H](Br)c1cc(I)sn1 2007642865 BQMCSKDIMXIHKS-LLVKDONJSA-N 488.970 5.003 50 10 JKGE CCc1cscc1[C@@H](Br)c1cc(Br)c(C)cc1Br 2036032637 LDLNPSRAUBFRMX-AWEZNQCLSA-N 453.037 6.628 50 10 JKGE FC1(F)[C@@H]2[C@@H]([C@@H](Cl)c3c(Br)sc(Br)c3Br)CC[C@H]21 2040540394 FEZVEOQXXXOKSK-HPNNBWFOSA-N 485.413 6.607 50 10 JKGE CCOc1ccc([C@H](Br)c2cc(Br)cs2)cc1Br 2052438898 XNZLEUBDVRGBIF-ZDUSSCGKSA-N 455.009 6.156 50 10 JKGE Cc1cc([C@@H](Br)c2ccc(Br)c(C)c2Br)sc1Cl 2083341098 XPVYOYCNEGCFGL-LBPRGKRZSA-N 473.455 7.028 50 10 JKGE Cc1nc(C[C@H](Cl)c2ccc(I)c(Br)c2)sc1C 2085803164 QNPMBYHCKBXAMZ-NSHDSACASA-N 456.574 5.650 50 10 JKGE Fc1ccccc1C[C@H](Br)c1ccc(Br)cc1I 2086144524 AVORKFILZORBCK-LBPRGKRZSA-N 483.944 5.872 50 10 JKGE Fc1cccc(C[C@@H](Br)c2ccc(Br)cc2I)c1 2086144745 DKILCWKYFDAVSU-CYBMUJFWSA-N 483.944 5.872 50 10 JKGE Fc1cc(Oc2cc(Br)ccc2CBr)cc(F)c1Br 2092540753 ABVNFZSDSAQLNU-UHFFFAOYSA-N 456.906 6.177 50 10 JKGE CCc1nn(-c2ccc(CBr)c(Br)c2)c(CC)c1Br 2093296918 XNSCRIJOBXKHAP-UHFFFAOYSA-N 451.000 5.417 50 10 JKGE Brc1cc([C@H](Br)[C@@H]2CC3(CCCCC3)CO2)c(Br)s1 2109978342 DDUAHSSBLDNUJX-JQWIXIFHSA-N 473.068 6.449 50 10 JKGE C[C@]1(Br)CN(c2cc(Br)cc(F)c2CBr)C[C@@]1(C)F 2140738738 DCECGUYQDVFMPP-QWHCGFSZSA-N 461.970 5.185 50 10 JKGE CC[C@@H]1CN(C(=O)OCc2ccccc2)[C@H](CC)CN1CC1(CBr)CCCCCC1 2162987619 OBTQEFMMODUTTR-DHIUTWEWSA-N 479.503 6.234 50 10 JKGE FC1(F)CCC2(CC1)C[C@@H]2[C@@H](Br)c1c(Cl)sc(Br)c1Cl 2163396705 RICSZAZLCZFRSB-HTRCEHHLSA-N 469.016 7.469 50 10 JKGE Clc1c(Br)cccc1C[C@H](CBr)Cc1cccc(Br)c1 2166823539 OEDJRWCNZNIIOV-GFCCVEGCSA-N 481.453 6.661 50 10 JKGE CCc1nc([C@H](Br)c2csc3c(Br)cccc23)c(Br)s1 2169487245 CXQQXSUBOLGNSL-LLVKDONJSA-N 496.087 6.930 50 10 JKGE Cc1cc(Br)c(C)c([C@H](Br)C2CC3(C2)CC3(C)C)c1Br 2201072888 KTDMLSMFAJJWKP-GMQFJONSSA-N 465.067 7.091 50 10 JKGE CO[C@@H]1CCC[C@@H]([C@H](Br)c2c(C)c(Br)cc(C)c2Br)C1 2201080322 YAGFOXLLRVGISI-HSMVNMDESA-N 469.055 6.470 50 10 JKGE COc1cc(F)c([C@@H](Br)c2ccc(F)cc2Br)cc1Br 2202903237 BFWFCXQKRIVIHA-AWEZNQCLSA-N 470.933 5.983 50 10 JKGE COc1cc(F)c([C@H](Cl)Cc2ccccc2I)cc1Br 2202913551 NAKCHFKCZXXXHH-GFCCVEGCSA-N 469.519 5.724 50 10 JKGE Cc1c(Br)ccc([C@H](Cl)Cc2ccc(Cl)c(Cl)c2)c1Br 2203687061 VZQAKLGYGFNRAZ-CYBMUJFWSA-N 457.420 7.349 50 10 JKGE COc1c(C)cc(Br)cc1[C@@H](Br)c1cc(Cl)cc(Br)c1 2206566939 JWDZXBULSQCWRT-AWEZNQCLSA-N 483.425 6.666 50 10 JKGE Cc1c(Br)csc1[C@@H](Br)c1cc(Cl)c(Br)s1 2210635050 DEZOUPVIGALWHF-QMMMGPOBSA-N 465.457 6.781 50 10 JKGE Cc1c(Br)sc([C@@H](Cl)c2ccc(Br)cc2Br)c1C 2218787030 FTNMUZLEAIEFHL-NSHDSACASA-N 473.455 6.981 50 10 JKGE CCCn1nc(Br)cc1C[C@H](Br)c1ccccc1Br 2224286484 CSBOUPSDLHOUCG-ZDUSSCGKSA-N 451.000 5.497 50 10 JKGE Fc1cc(Br)c(Br)cc1[C@H](Br)CCC1CCCCC1 2225617646 PZOFZPAVXGZHAE-GFCCVEGCSA-N 457.019 7.147 50 10 JKGE Fc1cc(Br)c(Br)cc1[C@@H](Br)C1CC2(CCOC2)C1 2225617694 QIJMZBCKIIKTQS-KQZUMFKRSA-N 456.975 5.603 50 10 JKGE Cc1ccc(C(CBr)(CBr)Cc2nscc2Br)cc1 2227092908 WYUKJNXLXAQDFD-UHFFFAOYSA-N 468.052 5.484 50 10 JKGE Cc1c([C@H](Br)Cc2ccc(Br)cc2Cl)nn(C)c1Br 2229139738 CZGQUEHFJGJQSZ-SNVBAGLBSA-N 471.418 5.586 50 10 JKGE BrC[C@@H]1C[C@@H]2CCCC[C@H]2N1c1ncc(Br)cc1Br 2231989549 FPISXUCFSUGKQX-XHVZSJERSA-N 453.016 5.139 50 10 JKGE FC(F)C1CC([C@@H](Br)c2c(Br)cc(Cl)c(Cl)c2Cl)C1 2232343653 LJDMQBQDBZJIKK-PACJAATDSA-N 457.367 7.137 50 10 JKGE COc1c(C(C)C)cc(Br)cc1[C@H](Br)c1sccc1Br 2233159601 MOKKNJDPQHWQGZ-ZDUSSCGKSA-N 483.063 6.889 50 10 JKGE Cc1cc(Br)c([C@H](Br)[C@@]23CC[C@@H](C2)[C@H](C)O3)c(C)c1Br 2235612223 NAFKORIXUJUOJU-KUDNYVPYSA-N 467.039 6.222 50 10 JKGE Fc1cc(Br)c(Br)cc1[C@@H](Br)[C@H]1CCC(F)(F)C1 2263340206 LBJWBVOYUSPRSP-KGFZYKRKSA-N 450.918 6.222 50 10 JKGE Cn1nc([C@@H](Br)c2c(F)cc(Br)c(F)c2Br)cc1Cl 2272731825 FDXSXTYLEFRPDZ-SECBINFHSA-N 479.344 5.361 50 10 JKGE Fc1cc(C[C@@H](Br)c2cc(Br)cc(Br)c2)ccc1Cl 2277908557 AYYINYLEPXBKLD-GFCCVEGCSA-N 471.389 6.683 50 10 JKGE Cc1cc(Br)cc([C@@H](Br)c2c(Br)cc(C)c(F)c2C)c1 2279159184 VGVSOYWAMWFIHD-OAHLLOKOSA-N 464.998 6.760 50 10 JKGE Cc1cc(Br)c(CCl)c(N(C)Cc2ccc(I)cc2)c1 2280334439 CGEPPDPGXCJYOV-UHFFFAOYSA-N 464.572 5.737 50 10 JKGE Fc1cc(F)c(F)c([C@H](Br)c2c(F)cccc2I)c1F 2282895466 YFQDVDWIABGRHX-LLVKDONJSA-N 462.981 5.471 50 10 JKGE COc1cc(C)c(Br)c(C)c1[C@@H](Cl)c1cc(Br)c(Cl)s1 2285057831 MSUKXPDLSAOSEC-ZDUSSCGKSA-N 459.030 6.880 50 10 JKGE CCOc1cc(C=C(C#N)c2cccc(F)c2)cc(Cl)c1OCc1ccc(C(=O)O)cc1 2294284589 IZWWOHRTZCJVGW-UHFFFAOYSA-N 451.881 6.219 50 10 JKGE CC(=NNC(=O)c1sc2ccccc2c1Cl)c1cccc(NC(=O)C=Cc2ccccc2)c1 2295280306 NGUSOSAIAXRAEF-UHFFFAOYSA-N 473.985 6.361 50 10 JKGE COC(=O)c1ccc(COc2ccc(C=C(C#N)C(=O)Nc3ccccc3C(F)(F)F)cc2)cc1 2295672732 ZRFVUOOGYRNGTI-UHFFFAOYSA-N 480.442 5.617 50 10 JKGE CCOc1ccc(NC(=O)C(C#N)=Cc2cn(CCOc3cc(C)ccc3C)c3ccccc23)cc1 2297551838 PEORZSLOXMJJMI-UHFFFAOYSA-N 479.580 6.282 50 10 JKGE Cc1c(Cl)sc(Cl)c1[C@H](Cl)c1cc(Br)c(Br)s1 2299541279 BFNAXCCKKQBSLY-SSDOTTSWSA-N 455.451 7.278 50 10 JKGE N#CC(=Cc1cc(Br)ccc1OCc1ccc(F)cc1)C(=O)Nc1ccccc1 2313541073 PRCRVJDRQXMINS-UHFFFAOYSA-N 451.295 5.713 50 10 JKGE N#CC(=Cc1cccc(OCc2ccccc2Cl)c1)C(=O)Nc1cccc(C(F)(F)F)c1 2313670604 JUZFQNZUUDSHQU-UHFFFAOYSA-N 456.851 6.483 50 10 JKGE Brc1cc(OCc2ccccc2)ccc1[C@@H](Br)[C@H]1OC[C@@H]2CCC[C@H]12 2314449078 MZJGFFYMYLWURQ-WLKXKRCBSA-N 466.213 6.279 50 10 JKGE N#CC(=Cc1ccc2noc(-c3ccc(Cl)cc3)c2c1)c1nc(-c2ccc3ccccc3c2)cs1 2314571521 GOCJRKOCJFTLEU-UHFFFAOYSA-N 489.987 8.489 50 10 JKGE Cc1ccc(NC(=O)C(C#N)=C2S[C@H](Cc3cccc(C)c3)C(=O)N2c2ccc(C)c(C)c2)cc1 2314591885 GWAQAPFPNUUJEB-AREMUKBSSA-N 481.621 5.985 50 10 JKGE CCCCCCCCOc1ccc(C=C2C(=O)N([C@H](C)CC)C(=O)C(C#N)=C2C)cc1OC 2314610341 GINMTCLIUQVUJZ-LJQANCHMSA-N 452.595 5.825 50 10 JKGE COc1cc(C=C2C(=O)N(C3CCCC3)C(=O)C(C#N)=C2C)ccc1OCc1ccc(C)cc1 2314617054 PXGFQJGZGBQNRW-UHFFFAOYSA-N 456.542 5.118 50 10 JKGE Fc1cc(Cl)c(Br)c(Cl)c1[C@H](Cl)c1cnsc1Br 2315615324 DDWVQHWXNFWZLA-MRVPVSSYSA-N 454.373 6.442 50 10 JKGE C[C@@H](Oc1ccc(Cl)cc1Cl)C(O)=C(C#N)c1nc(-c2ccc(C(C)(C)C)cc2)cs1 2331332851 URKDXFZIUUHCCM-CQSZACIVSA-N 473.425 7.675 50 10 JKGE COc1ccc(-c2csc(C(C#N)=C(O)CCCCCNC(=O)c3ccccc3)n2)c(C)c1C 2331362724 IQAYXNVWZVNSSC-UHFFFAOYSA-N 475.614 6.219 50 10 JKGE CCOc1ccc(OCC)c(-c2csc(C(C#N)=C(O)COc3ccc(Cl)cc3Cl)n2)c1 2331376573 UPMDKCLJNOUYCX-UHFFFAOYSA-N 491.396 6.786 50 10 JKGE COc1cc(Cl)c(C)cc1-c1csc(C(C#N)=C(O)C=Cc2ccc([N+](=O)[O-])cc2)n1 2331390345 ZUNUBDQIMIMXSH-UHFFFAOYSA-N 453.907 6.195 50 10 JKGE N#CC(=C(O)c1cc([N+](=O)[O-])ccc1Cl)c1nc(-c2cc(Cl)ccc2Cl)cs1 2331405511 QIMZVOZHRQBEQH-UHFFFAOYSA-N 452.706 6.628 50 10 JKGE COc1ccc(Cl)cc1-c1csc(C(C#N)=C(O)COc2cc(Cl)ccc2Cl)n1 2331411044 HIJKBKUJNSMNAJ-UHFFFAOYSA-N 467.761 6.651 50 10 JKGE COc1c(Cl)cc(-c2csc(C(C#N)=Cc3ccc(Cl)c([N+](=O)[O-])c3)n2)cc1Cl 2331480439 RMVHKZIABZNFHX-UHFFFAOYSA-N 466.733 6.751 50 10 JKGE COc1ccc(-c2csc(C(C#N)=Cc3ccc(OCc4ccc(Cl)cc4)cc3)n2)cc1Cl 2331480889 NLNMRPAQDOZJHM-UHFFFAOYSA-N 493.415 7.769 50 10 JKGE Cc1cc(Br)c([C@H](Br)c2c(Br)ncn2C)c(C)c1F 2337318192 XLDCDJQWRSOZSI-JTQLQIEISA-N 454.963 5.185 50 10 JKGE Clc1ccc(CN2CC[C@@H]3CC[C@H](Br)[C@H]2C3)c(I)c1 2341014630 YZNLFTGVOYKZSH-VZJVUDMVSA-N 454.577 5.083 50 10 JKGE Cc1cc(Br)c(C)c([C@H](Br)[C@]23C[C@H](CO2)C3(C)C)c1Br 2359837878 DYHWPRXMKKSRJU-OOVXXXAESA-N 467.039 6.080 50 10 JKGE Brc1ccc(OCc2ccccc2)c([C@H](Br)c2ccc3c(c2)COCC3)c1 2361201397 SCFUDNKOENNKLY-HSZRJFAPSA-N 488.219 6.585 50 10 JKGE CC12CC([C@@H](Br)c3c(Cl)cc(Br)c(F)c3Br)(CCO1)C2 2362238538 VYJVAVKHCYECOX-HSBZDZAISA-N 491.420 6.399 50 10 JKGE C[C@H](Br)C[C@@H]1CCCCN1C(=O)c1ccc(Cl)cc1I 2365588786 NUSSUIIJIXDQFB-JQWIXIFHSA-N 470.576 5.113 50 10 JKGE Cc1ccc([C@@H](CBr)OCc2ccc(Cl)cc2I)cc1 2365652105 DHYCGKMARDNMCJ-MRXNPFEDSA-N 465.556 5.906 50 10 JKGE Cl[C@H](CCc1ccc(I)c(Br)c1)CN1CCCCCC1 2377340120 OJYWXRAYTRQBIL-CQSZACIVSA-N 470.620 5.470 50 10 JKGE Cc1ccc(C[C@H]2S/C(=C(\C#N)C(=O)Nc3ccc(C)cc3)N(c3ccc(C)cc3)C2=O)cc1 935043 CSDBICFFYGAKAI-NJEMLTPYSA-N 467.594 5.677 50 10 JKGE Cc1ccccc1N/C(SCc1ccccc1Cl)=C(/C#N)C(=O)NCc1cccs1 3059035 PUSWYUDWVLOJQC-FCDQGJHFSA-N 454.020 6.107 50 10 JKGE CC(C)(C)c1cc(/C=N\NC(=O)c2cc(-c3ccc4ccccc4c3)n[nH]2)cc(C(C)(C)C)c1O 32916797 SZNSKJFXZMMGQE-LQNQUEJISA-N 468.601 6.294 50 10 JKGE CCCCOc1cccc(-c2nn(-c3ccccc3)cc2/C=C(\C#N)C(=O)NCCCn2ccnc2)c1 35446868 NQHCUXVWHVZXRE-HKOYGPOVSA-N 494.599 5.028 50 10 JKGE CCc1ccc(O[C@@H](C)C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@@H]3c2ccc(C(C)C)cc2)cc1 38649633 ICDBDOARLQUDLE-HMILPKGGSA-N 482.580 5.963 50 10 JKGE CCCOc1ccccc1[C@@H]1C(C#N)=C(N)Oc2cc(OC(=O)c3ccccc3OCC)ccc21 38681833 CWKPETFVTFLGBT-SANMLTNESA-N 470.525 5.311 50 10 JKGE CCCCOc1ccccc1[C@@H]1C(C#N)=C(N)Oc2cc(OC(=O)COc3cc(C)cc(C)c3)ccc21 38682984 WDTLKEUMNDUKGT-LJAQVGFWSA-N 498.579 5.685 50 10 JKGE CCc1ccc2oc(C(=O)Oc3ccc4c(c3)OC(N)=C(C#N)[C@@H]4c3ccc(C(C)C)cc3)c(C)c2c1 38687082 MRKKMLVWAFAOAW-MUUNZHRXSA-N 492.575 6.864 50 10 JKGE Cc1c(C(=O)Nc2ccc(Cl)cn2)oc2c1/C(=N/NC(=O)c1ccccc1Cl)CCC2 40812691 ISQSLVBIGBJJHB-JVWAILMASA-N 457.317 5.013 50 10 JKGE COc1cc(/C=C(\C#N)C(=O)Nc2cccc(C)c2)ccc1OCc1ccc(Cl)cc1Cl 59201043 GKPKYXYMEAEYEA-YBFXNURJSA-N 467.352 6.435 50 10 JKGE COc1ccc([C@@H](C(=O)NC2CCCCCC2)N(CCc2ccc(Cl)cc2)C(=O)CCl)cc1 97915006 NJTMTOGLCMRWJV-VWLOTQADSA-N 491.459 5.539 50 10 JKGE CC1=C(C#N)C(=O)N(C2CCCCC2)C(=O)/C1=C/c1ccc(-c2ccc(Cl)c(Cl)c2)o1 101339035 UDEVLCYXSSNLER-LDADJPATSA-N 455.341 6.178 50 10 JKGE Cc1cccc(N/C(SCc2ccccc2Cl)=C(\C#N)S(=O)(=O)c2ccccc2)c1 104689092 HRQSSECECSRIQQ-FCQUAONHSA-N 455.004 6.160 50 10 JKGE CCOc1ccc(Br)cc1[C@@H](Cl)c1ccc(I)cc1 109826819 XEMSGESGOLLLEY-HNNXBMFYSA-N 451.529 5.781 50 10 JKGE Clc1cccc(C[C@H](Br)c2cc(Br)sc2Br)c1 109870136 JFAJYOBIKOYQAA-JTQLQIEISA-N 459.428 6.605 50 10 JKGE COc1cc(Br)c(O[C@H]2C[C@H](Br)C23CCCC3)cc1Br 118819537 UJZYEKSKOASFJO-KBPBESRZSA-N 469.011 5.695 50 10 JKGE Cc1cc(Br)c(-n2c(CCl)nc3cc(I)ccc32)cc1Cl 127656329 JPWAJQXEFREVCK-UHFFFAOYSA-N 495.973 6.093 50 10 JKGE CC(C)(C)OCCC(CBr)(CBr)c1ccc(Br)cc1 133733194 FSSFLASHJOCCLF-UHFFFAOYSA-N 457.044 5.682 50 10 JKGE O=C(Nc1cccc(CCCBr)c1)c1cc(Br)c(Br)s1 139420179 IOCSZOODZBOTEA-UHFFFAOYSA-N 482.035 5.853 50 10 JKGE Brc1ccc([C@@H](Br)c2ccc3cc(Br)ccc3c2)cc1 159673417 MVIBOXBDGAYGJF-QGZVFWFLSA-N 454.987 6.849 50 10 JKGE Fc1ccc([C@@H](Br)c2cc(Br)ccc2Br)c2ccccc12 161102667 FTKCIABTVOBELF-QGZVFWFLSA-N 472.977 6.988 50 10 JKGE CCCCCCN1C(=O)C(C#N)=C(C)/C(=C/c2ccc(-c3ccc(C(=O)OCC)cc3)o2)C1=O 214244193 NRZDRFLVKOHMNK-JWGURIENSA-N 460.530 5.296 50 10 JKGE CCCCCCOc1ccc(/C=C2\C(=O)N(Cc3ccc(F)cc3)C(=O)C(C#N)=C2C)cc1OC 214410530 FZYLFJYMBPIJBN-HAHDFKILSA-N 476.548 5.586 50 10 JKGE C[C@@H]1CCCC[C@H]1NC(=O)[C@H](c1ccc(Cl)cc1)N(CCC1=CCCCC1)C(=O)CCl 230274820 DIHSBQUXXFRPNO-XANCMCCPSA-N 465.465 6.034 50 10 JKGE O=C(NC[C@H]1CCCC[C@H]1CBr)c1cc(Br)sc1Br 232475863 ZFZHUVHYQSEMRI-DTWKUNHWSA-N 474.056 5.204 50 10 JKGE BrCc1ccc(Oc2ccc(I)cc2)c(Br)c1 232486990 HQRVJDFGDHNALK-UHFFFAOYSA-N 467.926 5.741 50 10 JKGE Brc1cc([C@H](Br)[C@@H]2CC[C@@H]3CCCC[C@H]3C2)sc1Br 250749969 OAKXXJMZZRXGFP-KZWBYHQPSA-N 471.096 7.316 50 10 JKGE CC(=NNC(=O)[C@]1(C)CC1(Cl)Cl)c1ccc(NC(=O)[C@@H](C)Oc2ccc(Cl)cc2C)cc1 252642703 ZOKHTWYURUOBOU-QRQCRPRQSA-N 496.822 5.479 50 10 JKGE Cc1ccc(N=Nc2ccc(O)c(C=NNC(=O)C(O)(c3ccccc3)c3ccccc3)c2)cc1C 254702112 APJOFXYJIHCJQG-UHFFFAOYSA-N 478.552 5.811 50 10 JKGE CCN(CC)c1ccc(/C=C(\NC(=O)c2ccccc2)C(=O)NN=C/C(C)=C\c2ccccc2)cc1 254823827 ZKNQDTQBLAKPJQ-UAIXICNDSA-N 480.612 5.509 50 10 JKGE 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 257446739 IOFXIXOKOAYADV-JJJXAOIQSA-N 470.694 6.580 50 10 JKGE biogenic Cc1ccc2nc(-c3ccc(C(C)C)cc3)cc(C(=O)NN=Cc3cc4c(cc3[N+](=O)[O-])OCO4)c2c1 263630337 DPYMJKYPVRQQPK-UHFFFAOYSA-N 496.523 5.734 50 10 JKGE Brc1ccc([C@@H](Br)c2sccc2I)s1 306722400 ITHGWOAUROKTPU-MRVPVSSYSA-N 463.985 5.661 50 10 JKGE Cc1cc(Br)c([C@@H](Br)Cc2ccc(Br)cc2)cc1Cl 312016601 VGNRNVIWMCCDAU-AWEZNQCLSA-N 467.426 6.852 50 10 JKGE C[C@@H]1CN(Cc2ccccc2)C[C@H]1n1c(CCl)nc2cc(I)ccc21 389849433 TYJNWGPXSRIDKF-AUUYWEPGSA-N 465.766 5.073 50 10 JKGE BrCC(CBr)(CCC[C@@H]1CCOC1)c1ccc(Br)cc1 400643044 LGKTUMOXIXOSFA-CYBMUJFWSA-N 469.055 5.684 50 10 JKGE CC1(C)CC[C@@H](CBr)N(C(=O)c2cc(Br)cc(Br)c2)C1 701598298 YJMTWHFPQMXCFP-ZDUSSCGKSA-N 468.027 5.237 50 10 JKGE COc1ccc([C@@H](Br)c2scc(Br)c2Br)cc1F 705426181 NQHHAFAZLSAIAW-SNVBAGLBSA-N 458.972 5.905 50 10 JKGE Fc1cc2nc(CCCl)n(CC3(N(Cc4ccccc4)Cc4ccccc4)COC3)c2cc1Cl 705603593 JMINEWSYDZWDKO-UHFFFAOYSA-N 498.429 6.082 50 10 JKGE O=C(N[C@@H]1c2ccccc2C[C@@H]1Br)c1scc(Br)c1Br 707803976 BRGGHMOZJOTULT-JOYOIKCWSA-N 480.019 5.064 50 10 JKGE O=C(NC1(CCl)CCCCCC1)c1cc(Br)ccc1I 713489630 BWIMEBCDYYOQAT-UHFFFAOYSA-N 470.576 5.115 50 10 JKGE C[C@H]1Cc2cc(Br)cc([C@@H](Br)c3coc(Br)c3)c2O1 720055012 WJXJAABFYJDYFB-CPFSXVBKSA-N 450.952 5.612 50 10 JKGE Cc1cc([C@H](Cl)c2cccc(F)c2I)c(C)cc1Br 721684222 ODSDSYZWZVOMDA-CQSZACIVSA-N 453.520 6.138 50 10 JKGE CC(C)=CCC/C(C)=C/C=NNC(=O)COc1ccc(Br)cc1Br 1083934080 QNOXJCUNIMKODI-RRDWKKIPSA-N 458.194 5.385 50 10 JKGE CCOc1cc(/C=C(\C#N)C(=O)N(C)C)c(Br)cc1OCc1ccccc1Cl 1083957467 YLNLDBSEYOAJGN-CXUHLZMHSA-N 463.759 5.075 50 10 JKGE CCOc1cc(C=NNC(=O)c2cc3ccccc3o2)ccc1OCc1ccc([N+](=O)[O-])cc1 1084326830 FBGCCDZPUXJWQD-UHFFFAOYSA-N 459.458 5.083 50 10 JKGE C=CCOc1c(I)cc(/C=C(\C#N)C(=O)Nc2cccc(C)c2)cc1OCC 1084335850 FVNRSQHEFXVZNJ-GZTJUZNOSA-N 488.325 5.109 50 10 JKGE Cc1cc(/C=C(\C#N)C(=O)N2CCN(c3ccccc3)CC2)c(C)n1-c1ccc(C(C)C)cc1 1084405898 QFZKGPUFBCKUFS-LGUFXXKBSA-N 452.602 5.473 50 10 JKGE O=C(NN=Cc1ccc(Oc2ccc(C(F)(F)F)cc2[N+](=O)[O-])cc1)c1ccc([N+](=O)[O-])cc1 1084572214 PACCSNPLVQJLHA-UHFFFAOYSA-N 474.351 5.078 50 10 JKGE Cc1c(C(=O)N2c3ccccc3C[C@H]2C)oc2c1C(=NNC(=O)c1ccc(Cl)cc1)CCC2 1772743846 MASGFHYLKKFEHG-OAHLLOKOSA-N 461.949 5.303 50 10 JKGE Cc1ccc(OC(=O)c2oc3c(c2C)C(=NNC(=O)c2ccc(Br)cc2)CCC3)cc1 1772744564 ZREYJEKYNZEAEK-UHFFFAOYSA-N 481.346 5.349 50 10 JKGE Cc1c(C(=O)N(C)Cc2ccccc2)oc2c1C(=NNC(=O)c1ccc(-c3ccccc3)cc1)CCC2 1772746263 DCQIGZKFEJKKGS-UHFFFAOYSA-N 491.591 5.998 50 10 JKGE CCCCCCOc1ccc(C=NNC(=O)COc2ccc(C(C)(C)CC(C)(C)C)cc2)cc1 1772754171 PXNHPEJMLNORCD-UHFFFAOYSA-N 466.666 6.889 50 10 JKGE COc1ccc([C@@H]2C(C#N)=C(N)Oc3c2c(-c2ccccc2)nn3-c2ccccc2Cl)cc1O 1865682556 RJUPYVHJOLPBFN-JOCHJYFZSA-N 470.916 5.125 50 10 JKGE CC(C)(C)c1ccc([C@H]2C(C#N)=C(N)Oc3c2c(C(F)(F)F)nn3-c2cccc(Cl)c2)cc1 1865682699 VWAFPSJUDULOPS-SFHVURJKSA-N 472.898 6.060 50 10 JKGE CCCc1nn(Cc2ccc(C)cc2)c2c1[C@H](c1c(Cl)cccc1Cl)C(C#N)=C(N)O2 1865686557 XDJMSAIOSXEQBH-FQEVSTJZSA-N 453.373 5.717 50 10 JKGE CCCCCOc1ccc([C@@H]2C(C#N)=C(N)Oc3c2c(CC)nn3-c2ccccc2Cl)cc1OC 1865696333 MAAOYYZAQVJDHK-XMMPIXPASA-N 493.007 5.884 50 10 JKGE CCCc1nn(-c2cccc3ccccc23)c2c1[C@H](c1ccc(Br)cc1)C(C#N)=C(N)O2 1865714790 QIIIEAUXDHETKD-HSZRJFAPSA-N 485.385 5.959 50 10 JKGE CC[C@@H](NC(=O)C[C@H](c1ccc(OC)c(C)c1)C(C)C)C(=O)Nc1ccc(SC#N)cc1 1866771788 NXWKNJBARLBEHA-FCHUYYIVSA-N 453.608 5.240 50 10 JKGE CCc1nc(Nc2ccc(SC#N)cc2)cc(N2C[C@H](c3ccccc3)Cc3ccccc32)n1 1868277850 KJWCXOSBPLTMPR-JOCHJYFZSA-N 463.610 6.834 50 10 JKGE C[C@@H]1c2[nH]cnc2CCN1c1cc(Nc2ccc(SC#N)cc2)nc(-c2ccc(C(C)(C)C)cc2)n1 1868545554 ZQHVXQOKEWDPQX-GOSISDBHSA-N 495.656 6.605 50 10 JKGE COc1cc(/C=C/C(O)=C(\C#N)c2nc(-c3cccc(Cl)c3)cs2)cc(OC)c1OC 1872748013 DEBRKEICKSTLCF-YLDZBIJKSA-N 454.935 5.995 50 10 JKGE Cc1ccc(C(C)(C)C)cc1-c1csc(/C(C#N)=C(\O)[C@@H](C)Oc2ccc(C(C)C)cc2)n1 1872756241 VOTCQFHBVRTXCT-WJHCFOETSA-N 460.643 7.800 50 10 JKGE COc1ccc(-c2csc(/C(C#N)=C(\O)c3cccc(Br)c3)n2)c2ccccc12 1872758941 XPADNESGQYDBHI-QOCHGBHMSA-N 463.356 6.684 50 10 JKGE COc1ccc2ccccc2c1/C=C(\C#N)c1nc(-c2cc(Cl)c(OC)c(Cl)c2)cs1 1872794608 LWXFXGMDZHYPMN-CXUHLZMHSA-N 467.377 7.351 50 10 JKGE Cc1cc(OCCC/C(O)=C(\C#N)c2nc(-c3ccc(F)cc3F)cs2)cc(C)c1Cl 1872817909 CQPJCDBFSZHEQO-UZYVYHOESA-N 460.933 7.010 50 10 JKGE CC(C)(C)OC(=O)N[C@H](CBr)[C@H]1CCN(C(=O)OC(C)(C)C)[C@H](C2CCC2)C1 1891090720 PLJDIWSQXLQHMG-BBWFWOEESA-N 461.441 5.090 50 10 JKGE Fc1cc(C[C@H](Br)c2ccccc2Br)c(F)cc1Br 1894894897 KMADASQRDPFPQR-NSHDSACASA-N 454.934 6.169 50 10 JKGE Cl[C@H](c1ccc(OCc2ccccc2)cc1Br)c1sncc1Br 1899864953 IZZCIVCLDDADAL-MRXNPFEDSA-N 473.617 6.575 50 10 JKGE C[C@H](CBr)N(Cc1ccccc1)Cc1c(Br)cccc1Br 1914339991 SCSIVELNOMZGME-CYBMUJFWSA-N 476.050 5.997 50 10 JKGE O=S(=O)(c1cc(CCl)sc1Br)N(Cc1ccccc1)Cc1cccs1 1914881214 WMSDZKPODUVTSW-UHFFFAOYSA-N 476.870 5.702 50 10 JKGE COc1cccc(OC)c1[C@@H](Br)c1sc(Br)c(C)c1Br 1922880475 DNWTVWCFWRTQHC-GFCCVEGCSA-N 485.035 6.083 50 10 JKGE CCC(CC)([C@H](Br)c1sc(Br)c(C)c1Br)C(F)(F)F 1922907403 UBMHVORTHATECC-SECBINFHSA-N 487.017 7.386 50 10 JKGE Cc1c(Br)sc([C@H](Br)[C@@H]2C[C@H]3O[C@H]2[C@@H]2C[C@@H]32)c1Br 1922921297 PLEICGJXKACFQF-CXRJXMPQSA-N 457.025 5.441 50 10 JKGE Cc1c(Br)sc([C@@H](Br)[C@H]2C[C@@H](OC(C)(C)C)C2)c1Br 1922936790 WUDSEDBPFSGOQT-NGZCFLSTSA-N 475.084 6.611 50 10 JKGE Clc1c(Br)sc(Br)c1[C@H](Br)[C@@]12CCCC[C@@H]1OCC2 1923067803 IWZYPJYDQTZIKK-LCWDIZFYSA-N 493.486 6.712 50 10 JKGE Clc1ccc(Br)cc1[C@@H](Br)c1c(Cl)sc(Cl)c1Cl 1925589283 STPAJGLWGGBGIT-MRVPVSSYSA-N 469.840 7.609 50 10 JKGE COCc1csc([C@@H](Br)c2c(Cl)sc(Br)c2Cl)c1 1925620624 JXUVBWRGIVZTTL-MRVPVSSYSA-N 451.032 6.510 50 10 JKGE FC1(F)CC[C@@H]2[C@H]([C@@H](Br)c3cc(Br)c(Br)s3)[C@H]21 2004115683 SFTZIKCTZNGFKY-VIJCPXHPSA-N 450.968 6.000 50 10 JKGE Cc1cc([C@@H](Br)c2ccc(I)c(Br)c2)sc1C 2017987625 ALEACFLTLAQIPB-ZDUSSCGKSA-N 486.010 6.216 50 10 JKGE CCc1sc(Br)cc1[C@H](Br)c1ccc(Cl)cc1Br 2030223019 SCMZUJDLCPWCNB-CYBMUJFWSA-N 473.455 6.973 50 10 JKGE Cn1ncc([C@H](Br)c2cc(Br)c(Cl)cc2F)c1Br 2036578781 OTUCNZKXVAAYBN-SNVBAGLBSA-N 461.354 5.222 50 10 JKGE Clc1c(Br)ccc(CBr)c1Oc1ccc(Br)cc1 2036848779 NVALVYWNEXPSCV-UHFFFAOYSA-N 455.371 6.552 50 10 JKGE FC(F)(F)[C@@H]1CN(Cc2ccccc2)C[C@@H]1n1c(Cl)nc(Cl)c1CBr 2072950797 HXQVOTAYCDIXIF-YPMHNXCESA-N 457.121 5.320 50 10 JKGE Brc1scc([C@@H](Br)Cc2nc3ccccc3o2)c1Br 2093942669 XUIIRYBUEGQCSV-QMMMGPOBSA-N 465.992 6.093 50 10 JKGE Brc1cccc(Br)c1[C@@H](Br)c1csc2ccccc12 2094091874 YYWIOQLPLMUSTB-HNNXBMFYSA-N 461.016 6.911 50 10 JKGE Cn1nc([C@@H](Cl)c2cc(Br)c(Cl)cc2F)c(Br)c1Cl 2110719934 IWNIINDDNOSBGA-VIFPVBQESA-N 451.348 5.719 50 10 JKGE Fc1cc(Br)cc(N2CC[C@H]3CN(Cc4ccccc4)C[C@@H]3C2)c1CBr 2114266644 VSWXNRAWVBIHFI-DLBZAZTESA-N 482.235 5.441 50 10 JKGE BrCCN(Cc1ccsc1)Cc1cc(Br)ccc1Br 2118519798 NVDSSTGAGXEMCN-UHFFFAOYSA-N 468.052 5.670 50 10 JKGE CCc1cc([C@@H](Br)c2cc(Br)sc2Br)c(F)cc1F 2118754150 AINFEXYXZKJPJM-GFCCVEGCSA-N 474.990 6.598 50 10 JKGE F[C@@H]1[C@H](Br)C[C@H]2CC[C@H]1N2Cc1cccc(Br)c1Br 2134122365 JXQCTAIMHHMAKP-XIDUGBJDSA-N 455.991 5.050 50 10 JKGE Cc1c(Br)ccc([C@@H](Br)[C@@H](CC(C)C)C(C)C)c1Br 2138860766 FPJDBERJHLUWPO-XJKSGUPXSA-N 455.072 7.274 50 10 JKGE O=C(NC1(CCCBr)CCC1)c1c(Br)cccc1Br 2140851075 ICULXTUJOBUIFI-UHFFFAOYSA-N 454.000 5.039 50 10 JKGE Clc1cc(CN2CC3(CBr)CCC2CC3)ccc1I 2142949585 LABZMCRNVCZRHP-UHFFFAOYSA-N 454.577 5.084 50 10 JKGE C[C@@H]1CC[C@H](C(C)(C)Cc2cccc(Br)c2Br)[C@@H](Br)C1 2148750308 KPHQQODDKIMIBZ-ZLDLUXBVSA-N 467.083 6.980 50 10 JKGE ClCc1nc2cncc(Br)c2n1-c1cc(Br)cc(Br)c1 2151791666 YGKQBUOSXHOJCH-UHFFFAOYSA-N 480.385 5.447 50 10 JKGE C[C@@H]1[C@H](n2c(CCCl)nc3cc(Cl)c(Br)cc32)CCN1Cc1ccccc1 2169015384 LOPLAYJGZRNBHY-AUUYWEPGSA-N 467.238 6.069 50 10 JKGE Cc1cc(Br)c([C@H](Br)C23CC(C)(C2)OC3(C)C)cc1Br 2178382119 CALYFJUPMHLWRI-JEYLPNPQSA-N 467.039 6.304 50 10 JKGE CC(C)CNCc1cc(Br)cc(Br)c1OC[C@@H]1C[C@@H]1Br 2196907838 UFRNXWAPYJAHGT-AAEUAGOBSA-N 470.043 5.119 50 10 JKGE COc1cc(C)c([C@@H](Br)c2cccc(Br)c2F)cc1Br 2198736406 DKNIPPMNDKWQNY-AWEZNQCLSA-N 466.970 6.152 50 10 JKGE Cc1cc(Br)c(C)c([C@H](Br)[C@@H]2C[C@H]3C[C@H]2[C@@H]2C[C@@H]32)c1Br 2201070332 YRPXVQBCJZSJRY-ICTFGXNNSA-N 463.051 6.557 50 10 JKGE COc1cc2c(cc1Br)nc([C@@H](C)Cl)n2[C@H](C)CCOCc1ccccc1 2202312283 RGVQBLWCMMPVFT-HUUCEWRRSA-N 451.792 6.275 50 10 JKGE Cc1ccc([C@H](Cl)c2cc(Cl)c(Br)s2)cc1I 2212993388 XOHPIOWTSGLSAI-NSHDSACASA-N 461.977 6.405 50 10 JKGE CC(C)[C@H](CBr)N(Cc1ccccc1)S(=O)(=O)Cc1ccsc1Br 2213761332 UUMWOMGEDZLKHY-INIZCTEOSA-N 495.302 5.262 50 10 JKGE Brc1cc([C@@H](Br)[C@H]2C[C@H]3CCC[C@H](C3)C2)c(Br)s1 2218345086 BOQUZLVYPXSJMS-WJZNIJOASA-N 457.069 6.926 50 10 JKGE Fc1cc(Br)c(Br)cc1[C@@H](Br)c1cccc(Cl)c1 2218596796 HSPANYKUYPDYJU-ZDUSSCGKSA-N 457.362 6.488 50 10 JKGE Cc1sc(Br)c(C)c1[C@H](Cl)c1ccc(F)cc1I 2218804696 CWCJSGHIYMWNKZ-GFCCVEGCSA-N 459.549 6.199 50 10 JKGE Cc1c(Br)sc([C@H](Br)[C@@H]2CCCC(C)(C)O2)c1Br 2219700307 JSYYYLYXWMVXEO-WCBMZHEXSA-N 461.057 6.365 50 10 JKGE Fc1cc(F)c([C@@H](Br)c2csnc2Br)c(F)c1Br 2220497571 LSDJGBIRLPAVSC-ZETCQYMHSA-N 465.914 5.570 50 10 JKGE CCc1occ(C)c1[C@@H](Br)c1cc(Br)c(Br)cc1F 2225616968 KVFSZGMZCSISKD-AWEZNQCLSA-N 454.959 6.299 50 10 JKGE COc1cc(F)ccc1[C@H](Br)c1c(Br)sc(Br)c1Cl 2225635551 WAIMMSTZCCPICW-VIFPVBQESA-N 493.417 6.559 50 10 JKGE COc1cc(Br)c(C)cc1[C@H](Br)c1cc(Br)c(C)s1 2226083503 BXVTXSKZRNQSLZ-AWEZNQCLSA-N 469.036 6.383 50 10 JKGE Cc1cc(Br)c([C@@H](Br)c2cc(Cl)ccc2Cl)c(C)c1Cl 2232527371 CTJAMSYERGGMKY-AWEZNQCLSA-N 457.420 7.510 50 10 JKGE Cc1cc(Br)c([C@@H](Cl)c2cccc(F)c2Br)c(C)c1Br 2235603978 LRVDAHKPEJTOCR-HNNXBMFYSA-N 485.416 7.058 50 10 JKGE Cc1cccc(Oc2cccc(Br)c2CBr)c1I 2263448319 LMEQVMIJORJOOS-UHFFFAOYSA-N 481.953 6.049 50 10 JKGE CCN(C[C@](C)(CI)OC[C@@H]1CC(F)(F)C12CCC2)C(=O)OC(C)(C)C 2266112539 NCMLJDVSGWDUEV-YOEHRIQHSA-N 487.369 5.279 50 10 JKGE CCCCc1ccc([C@H](Br)c2c(F)cccc2I)s1 2267663882 SVKVNNMZALSSDZ-HNNXBMFYSA-N 453.158 6.319 50 10 JKGE Fc1cc(Br)ccc1[C@@H](Cl)Cc1cc(Br)cc(Br)c1 2277962729 KUNZVROTSGKHBO-ZDUSSCGKSA-N 471.389 6.636 50 10 JKGE Fc1cc(Br)c(Br)cc1[C@@H](Br)C[C@@H]1CCCCC12CC2 2279687619 IIXLZOALQPARLP-JQWIXIFHSA-N 469.030 7.147 50 10 JKGE CN(Cc1cccc(I)c1)CC1(CBr)CCCCCC1 2280349222 JBMAAFZYGLZYPP-UHFFFAOYSA-N 450.202 5.459 50 10 JKGE CCCCCc1ccc([C@@H](Br)c2ccc(Cl)c(I)c2)s1 2283578446 QEDCWOXYKWPWGQ-INIZCTEOSA-N 483.640 7.223 50 10 JKGE COc1c([C@@H](Br)c2scc(Br)c2C)cc(Br)c(C)c1C 2284593841 JFGCDMFYUDYRIL-CYBMUJFWSA-N 483.063 6.691 50 10 JKGE COc1ccc([C@@H](Br)C2CC3(C2)CC(F)(F)C3)cc1I 2284999713 RFKNPNAUARBNRZ-CYBMUJFWSA-N 457.096 5.561 50 10 JKGE COc1ccc(Br)c2c1nc([C@H](C)Cl)n2C(C)(C)COCc1ccccc1 2286083637 AAQMFVOERGKFCR-AWEZNQCLSA-N 451.792 6.059 50 10 JKGE Cc1cc(Cl)c(Br)cc1[C@@H](Br)c1cscc1S(C)(=O)=O 2288500255 DYRSVOFBBTVCEJ-CYBMUJFWSA-N 458.624 5.360 50 10 JKGE N#CC(=Cc1ccc(N2N=C(c3ccccc3)C[C@H]2c2ccccc2)cc1)S(=O)(=O)c1ccccc1 2293190877 JVAWBGIHMYVMIW-PMERELPUSA-N 489.600 6.381 50 10 JKGE FC1(F)CCC[C@@H]2[C@H]([C@@H](Br)Cc3cc(Br)cc(Br)c3)[C@@H]21 2295332555 YHLPLMIRKQLJGW-XJFOESAGSA-N 472.993 6.199 50 10 JKGE COC(=O)c1cc(NC=C(C#N)c2nc(-c3ccc(Cl)c(Cl)c3)cs2)cc(C(=O)OC)c1 2296552186 UCDWBXHFMSKFDQ-UHFFFAOYSA-N 488.352 5.667 50 10 JKGE CCCSc1ccc(-c2nn(-c3ccccc3)cc2C=C(C#N)C(=O)NCCCOC)cc1 2296731307 MKGCMXOEKITBCG-UHFFFAOYSA-N 460.603 5.101 50 10 JKGE Brc1ccc(OCc2ccccc2)c([C@@H](Br)C2CC(C3CC3)C2)c1 2299531784 ZFTSKPYNYIWEGX-BPZDKFOGSA-N 450.214 6.900 50 10 JKGE FC(F)CC1([C@H](Br)c2sc(Cl)cc2I)CCC1 2300956470 AIVVXJLTQDJYIH-SNVBAGLBSA-N 455.533 6.268 50 10 JKGE Fc1cc(Cl)cc([C@@H](Br)c2sc(Cl)cc2I)c1 2301089480 SPWNTQXYMIKMFL-SNVBAGLBSA-N 465.940 6.283 50 10 JKGE N#CC(=Cc1ccc(OCc2ccc(Cl)cc2Cl)cc1)C(=O)N1CCN(c2ccccc2)CC1 2313545817 HVWVSXDZYHWBAI-UHFFFAOYSA-N 492.406 5.828 50 10 JKGE N#CC(=Cc1ccc(-c2ccc(Br)cc2)o1)C(=O)Nc1cccc(Cl)c1Cl 2313570706 DKVBUESFOSWKFA-UHFFFAOYSA-N 462.130 6.562 50 10 JKGE CCOc1cc(C=C(C#N)C(=O)Nc2cccc(C)c2)ccc1OCc1ccc(Cl)c(Cl)c1 2313667912 XTXYHXZTTPYMLQ-UHFFFAOYSA-N 481.379 6.825 50 10 JKGE Cn1nc([C@@H](Cl)c2ccc(OCc3ccccc3)cc2Br)c(Cl)c1Cl 2314457999 AILDBZDDCKSLGQ-HNNXBMFYSA-N 460.586 6.397 50 10 JKGE COc1ccc(N2C(=O)[C@H](Cc3ccc(C)cc3)SC2=C(C#N)C(=O)Nc2cccc(C)c2)cc1 2314592020 JWDNXQDGRZQJAS-VWLOTQADSA-N 483.593 5.377 50 10 JKGE CCOC(=O)c1c(-c2ccc(CC)cc2)csc1NC(=O)C(C#N)=Cc1ccc(OCC)cc1 2314753932 GMXBOLSZALOZQO-UHFFFAOYSA-N 474.582 6.099 50 10 JKGE CC[C@]1(C)[C@@H](Br)CCN1C(=O)c1cc(Br)c(Br)s1 2315152414 RJIFSXWLPRKMFA-JOYOIKCWSA-N 460.029 5.051 50 10 JKGE Cc1ccc(-c2csc3nc(SCC(=O)C(C#N)=C4Nc5ccccc5S4)nc(O)c23)cc1 2320729570 PLLPAELGPAGBHJ-UHFFFAOYSA-N 488.619 5.987 50 10 JKGE CC(C)(C)OC(=O)N1CCC[C@H](C(=O)NN=Cc2ccc(OCc3cccc(Cl)c3)cc2)C1 2321721598 QZPMVVRTMYVVPH-FQEVSTJZSA-N 471.985 5.016 50 10 JKGE CC1(C)CC[C@H](Br)[C@H](Cc2ccc(I)c(Br)c2)C1 2325188899 ILZVBDDJNLBNSD-NEPJUHHUSA-N 486.029 6.186 50 10 JKGE CCc1cccc(C)c1N1C[C@H](C(O)=C(C#N)c2nc(-c3ccc(Cl)cc3Cl)cs2)CC1=O 2331251014 GYHUAGOJMDDBMV-MRXNPFEDSA-N 498.435 6.834 50 10 JKGE CCCCc1ccc(-c2csc(C(C#N)=C(O)CCCOc3ccc(Cl)cc3Cl)n2)cc1 2331256644 JQKPJFMVYJSEQX-UHFFFAOYSA-N 487.452 8.111 50 10 JKGE COc1ccc(-c2csc(C(C#N)=C(O)CCCOc3ccc(Cl)cc3Cl)n2)cc1 2331276276 CBUDSDLFJBSAAU-UHFFFAOYSA-N 461.370 6.777 50 10 JKGE COc1ccc(-c2csc(C(C#N)=C(O)Cc3ccc(OCc4ccccc4)cc3)n2)cc1Cl 2331397987 QNJIBNUJDWABMR-UHFFFAOYSA-N 488.996 7.086 50 10 JKGE COc1ccc(Cl)cc1-c1csc(C(C#N)=C(O)[C@H]2CC(=O)N([C@H](C)c3ccccc3)C2)n1 2331410850 KSSMUMMATGIJLR-WBVHZDCISA-N 479.989 5.874 50 10 JKGE COc1ccc(-c2csc(C(C#N)=Cc3cc(Br)c(O)c(OC)c3)n2)c(C)c1C 2331467313 BMCNMQZGJKNGGM-UHFFFAOYSA-N 471.376 5.976 50 10 JKGE COc1cc(C=C(C#N)c2nc(-c3ccc(C)c(C)c3)cs2)ccc1OCCCc1ccccc1 2331472644 KIVCEYWMDGLIKG-UHFFFAOYSA-N 480.633 7.511 50 10 JKGE CC(C)(C)[C@@H](C[C@H](Br)c1cc(Br)ccc1OCc1ccccc1)C(F)F 2336055904 DQADOLBODNPILN-ROUUACIJSA-N 490.226 7.782 50 10 JKGE FC(F)(F)c1ccc([C@@H](Br)c2sc(Cl)cc2I)cc1 2338630419 MLNRGDQIJIXTLU-SNVBAGLBSA-N 481.502 6.509 50 10 JKGE Fc1cc(F)c(CCl)c(Oc2cc(Br)cc(I)c2)c1 2338754308 GBZCWVNEAWIPEU-UHFFFAOYSA-N 459.455 5.863 50 10 JKGE Cc1cc(C(F)(F)F)sc1C(=O)N[C@@H](CCBr)COCc1ccccc1 2343412370 PDLLHYHNDDUAFE-AWEZNQCLSA-N 450.320 5.176 50 10 JKGE Cc1cc(OCc2cc(I)ccc2Cl)cc(CBr)n1 2352250053 UGPDJUVXBOYXPW-UHFFFAOYSA-N 452.517 5.122 50 10 JKGE Cc1cc(Br)c(C(C)C)cc1[C@H](Br)c1occc1Br 2352799159 HPLUTSZBMAPRHG-AWEZNQCLSA-N 450.996 6.721 50 10 JKGE Brc1ccc(OCc2ccccc2)c([C@@H](Br)[C@@H]2C[C@H]2C2CCCCCC2)c1 2361170777 GTGQHBXIWVFBRU-IMSXRSKXSA-N 492.295 8.071 50 10 JKGE O=C(c1csc(Br)c1Br)N1CC[C@H](Br)C[C@H]1C(F)(F)F 2361458179 XRSULTOLUFIHBG-FSPLSTOPSA-N 499.972 5.204 50 10 JKGE COc1cc(Cl)c([C@H](Br)c2c(Br)nc(C)n2C)cc1Br 2362486825 KWKMPCDNJOHOFB-NSHDSACASA-N 487.417 5.400 50 10 JKGE Cc1cc(Br)c(F)c(Br)c1[C@H](Br)[C@@H]1CC[C@H]2C[C@H]2CC1 2365218324 BPLSAGWQIBJNIV-FBKDDSFISA-N 469.030 6.921 50 10 JKGE Cc1cc(Br)c(F)c(Br)c1[C@H](Br)C1CC[C@@H]2C[C@H]2CC1 2365218327 BPLSAGWQIBJNIV-JTNHKYCSSA-N 469.030 6.921 50 10 JKGE Cc1cc(Br)c(F)c(Br)c1[C@H](Cl)c1ccc(F)c(Br)c1 2365224260 WMQRCKUKCDPMRC-CYBMUJFWSA-N 489.379 6.889 50 10 JKGE O=C(NCC1(CBr)CCCCC1)c1ccc(Cl)cc1I 2365586215 JVAZVDBSRICMKZ-UHFFFAOYSA-N 470.576 5.020 50 10 JKGE CCN(C[C@@](C)(CI)O[C@H]1CCCCC12CCOCC2)C(=O)OC(C)(C)C 2368372718 UQDRNPRCUBFYGF-FXAWDEMLSA-N 495.442 5.193 50 10 JKGE Cl[C@@H]1[C@@H](CNCc2ccc(I)c(Br)c2)CCC12CCC2 2377331186 IHZJGDUKOKRWHD-IUODEOHRSA-N 468.604 5.331 50 10 JKGE COc1cc(C(=O)N/N=C/c2ccc(OC)c(COc3cc(C)c(Cl)c(C)c3)c2)ccc1O 1499696 AYVLCJHATMMFLF-UVHMKAGCSA-N 468.937 5.023 50 10 JKGE C=CCOc1ccc(Br)cc1/C=C(/C#N)C(=O)Nc1ccccc1C(F)(F)F 3231418 JTNLPIGYMSOYBG-UVTDQMKNSA-N 451.242 5.578 50 10 JKGE Cc1ccc(-c2nnc(SCC(=O)NN=Cc3ccc(C(F)(F)F)cc3)n2-c2ccccc2)cc1 9008134 GXAVNFQXSFWKCO-UHFFFAOYSA-N 495.530 5.504 50 10 JKGE CC[C@H](Oc1ccc(-c2ccccc2)cc1)C(=O)NNC(=O)c1ccc(OCc2ccccc2)cc1 14768956 AZQNRWOEISTNKO-NDEPHWFRSA-N 480.564 5.551 50 10 JKGE CCc1ccc(NC(=O)/C(C#N)=C\c2c(C)n(Cc3ccccc3Cl)c3ccccc23)cc1 33429429 PCVPIHTUIBXGFB-JWGURIENSA-N 453.973 6.760 50 10 JKGE Cc1cc([N+](=O)[O-])ccc1NC(=O)/C(C#N)=C\c1cc(C)n(-c2ccc(Cl)c(Cl)c2)c1C 33687498 DMKDEELOMUOBMI-YVLHZVERSA-N 469.328 6.163 50 10 JKGE CCOC(=O)/C(C#N)=C1/S[C@@H](Cc2ccc(Cl)c(Cl)c2)C(=O)N1c1ccc(C)cc1 33729435 QGQUJNCKRJHLAB-XSLGSPGOSA-N 461.370 5.291 50 10 JKGE C[C@H](Oc1ccccc1F)C(=O)Oc1ccc2c(c1)OC(N)=C(C#N)[C@H]2c1ccc(C(C)(C)C)cc1 38649799 WRQVRGLAPOFLMP-QLXKLKPCSA-N 486.543 5.714 50 10 JKGE N#CC1=C(N)Oc2cc(OC(=O)Cc3ccc(Cl)cc3)ccc2[C@@H]1c1ccc(Cl)cc1Cl 38655622 QLQQJXLCHYYTAT-QHCPKHFHSA-N 485.754 6.013 50 10 JKGE CCOc1ccc(C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@H]3c2ccccc2Br)cc1 38678640 JHSFDSVSBSTTKS-QHCPKHFHSA-N 491.341 5.285 50 10 JKGE CCCCCOc1ccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4ccccc4Cl)ccc32)cc1 38685287 SDAMKCSUGVCZMQ-AREMUKBSSA-N 488.971 6.346 50 10 JKGE CCCOc1cccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4oc5cc(C)ccc5c4C)ccc32)c1 38701001 RYHUZXPTUOKVNH-MHZLTWQESA-N 494.547 6.276 50 10 JKGE Cc1ccc(C)c(NC(=O)c2oc3c(c2C)/C(=N/NC(=O)Cc2coc4cc(C)cc(C)c24)CCC3)c1 40826904 DSSMTZKYJFUEIB-WEMUVCOSSA-N 497.595 6.220 50 10 JKGE CCOC(=O)c1c(NC(=O)N/N=C/c2cccc(OCc3ccccc3)c2)sc2c1CCCC2 40846981 LSRCRMKJFOBMRG-JVWAILMASA-N 477.586 5.538 50 10 JKGE COc1cc(/C=N/NC(=O)[C@@H](C)Oc2ccc(-c3ccccc3)cc2)ccc1OCc1ccc(C)cc1 40959633 POPGJXCSVNVBRU-SBUWOATQSA-N 494.591 6.167 50 10 JKGE CCOc1cc(/C=N\NC(=O)CC[C@@H](O)c2ccccc2)cc(Cl)c1OCc1cccc(F)c1 58891390 ZCYPCPPLDYGTFJ-SLLOZXFSSA-N 484.955 5.421 50 10 JKGE C=CCc1cc(/C=N\NC(=O)CC[C@@H](O)c2ccc(OCC)cc2)ccc1OCc1ccccc1C#N 58895115 AVYDPASDUKOROT-SGKMTROSSA-N 497.595 5.228 50 10 JKGE O=C(CCCSc1nc2ccc([N+](=O)[O-])cc2s1)N/N=C/c1ccc(Cl)cc1Cl 58988982 YBTRRSAMLPWPOF-UFFVCSGVSA-N 469.375 5.534 50 10 JKGE COc1cc(/C=C(\C#N)C(=O)Nc2ccccc2)ccc1OCc1ccc(Br)cc1 59432737 DSIJOQFWENINOR-CPNJWEJPSA-N 463.331 5.582 50 10 JKGE N#C/C(=C\c1ccc([N+](=O)[O-])c(C2CCCCC2)c1Cl)c1nc(C#N)c(N)n1-c1ccccc1 59434497 UBXBNKCMLBXHPK-QGOAFFKASA-N 472.936 6.000 50 10 JKGE C=CCc1cc(/C=N/NC(=O)c2cc3ccccc3o2)cc(OC)c1OCc1ccccc1F 59680031 YPIBLIPMOLIGMA-MUFRIFMGSA-N 458.489 5.652 50 10 JKGE COc1ccc(CNC(=O)/C(C#N)=C\c2cc(Br)ccc2OCCC(C)C)cc1 96438708 CFPDEOCXGRROTB-UNOMPAQXSA-N 457.368 5.106 50 10 JKGE N#C/C(=C/c1ccc(OCc2ccccc2C#N)c(Br)c1)C(=O)NCc1cccs1 96930593 DBJXDLXPXCMWCD-GRSHGNNSSA-N 478.371 5.185 50 10 JKGE CCc1nn(C)c(C[C@@H](CBr)Cc2ccc(Br)cc2)c1Br 97183350 KXOOJKFJNZOZTD-LBPRGKRZSA-N 479.054 5.304 50 10 JKGE C[C@@H]1CCCC[C@@H]1NC(=O)[C@@H](c1ccc(Cl)cc1)N(CCC1=CCCCC1)C(=O)CCl 97914224 DIHSBQUXXFRPNO-RVSNTGDXSA-N 465.465 6.034 50 10 JKGE CCc1ccc(N/C=C(\C#N)c2nc(-c3cc4cc(Br)ccc4oc3=O)cs2)cc1 100161199 NYEKBEZRFAUKHZ-FOWTUZBSSA-N 478.371 6.218 50 10 JKGE Cc1ccc(C[C@@H]2S/C(=C(\C#N)C(=O)Nc3ccccc3)N(c3ccc(F)cc3)C2=O)cc1 102973858 UMPOPSUABSYACQ-GPSDDGMOSA-N 457.530 5.199 50 10 JKGE COc1c(Br)cc(Cl)cc1[C@@H](Br)c1cc(Br)ccc1F 109836408 BFGZACDNJKAOPW-ZDUSSCGKSA-N 487.388 6.497 50 10 JKGE Clc1cc(Br)ccc1[C@H](Br)c1cc2c(cc1Cl)OCCO2 109867386 XWDJQMILPIHANH-HNNXBMFYSA-N 452.957 6.011 50 10 JKGE CSc1ccc([C@@H](Br)c2cc(Br)c(C)cc2Br)cc1 128843587 WLXMXZZMJRDKEV-OAHLLOKOSA-N 465.048 6.726 50 10 JKGE CCCCNC(=O)/C(C#N)=C\c1ccc(OC(=O)c2ccccc2CCc2ccccc2)c(OC)c1 207078991 OLGCENJGLKGGAJ-PLRJNAJWSA-N 482.580 5.523 50 10 JKGE CCCCNC(=O)/C(C#N)=C\c1ccc(OC(=O)/C(=C\c2ccccc2)c2ccccc2)c(OC)c1 207112586 PNOMHEIUJNLAIY-HSLKWFPPSA-N 480.564 5.665 50 10 JKGE Clc1cc(Br)ccc1[C@H](Br)c1cc(Br)cc2c1OCC2 228445935 HPUXPRWVSOSCHA-AWEZNQCLSA-N 481.409 6.284 50 10 JKGE CCOc1ccc([C@@H](Br)c2cccc(Br)c2Cl)cc1Br 228996040 LJFLWOAATBRSRQ-CQSZACIVSA-N 483.425 6.748 50 10 JKGE O=C(CSCc1cccc(Cl)c1)NN=Cc1ccc(OCc2ccc(Cl)cc2)cc1 252631003 VGQBFFLZRNHNCD-UHFFFAOYSA-N 459.398 5.956 50 10 JKGE Fc1cc(Br)cc([C@H](Br)c2cc3c(cc2Br)OCC3)c1 308421614 XVWUCGFDRTWLLV-HNNXBMFYSA-N 464.954 5.770 50 10 JKGE C[C@@H](Cl)c1nc2cc(I)c(F)cc2n1C1CCN(Cc2ccccc2)CC1 312146227 FYDNJBMJEVGJNG-CQSZACIVSA-N 497.783 5.917 50 10 JKGE ClCc1nc2cc(I)ccc2n1C[C@@H]1CCCCN(Cc2ccccc2)C1 312912528 KZYQHNRMOUVFMT-GOSISDBHSA-N 493.820 5.682 50 10 JKGE O=C(N[C@H](CBr)C1CCCCC1)c1cc(Br)ccc1Br 386307523 WITIDQDXFOMXPE-CQSZACIVSA-N 468.027 5.285 50 10 JKGE CC(C)(C)[Si](C)(C)OCc1ccccc1[C@H]1CCN(S(=O)(=O)c2ccccc2)CCO1 616593180 JRKNFTRIVAUZSF-HSZRJFAPSA-N 461.700 5.361 50 10 JKGE CC(C)(C)[Si](C)(C)OCc1ccccc1[C@@H]1CCOCCN1S(=O)(=O)c1ccccc1 616597960 KYDTVDHNMREOLI-QHCPKHFHSA-N 461.700 5.361 50 10 JKGE CC(C)(C)OC(=O)N1CCc2ccccc2[C@@H]1c1ccc(CCO[Si](C)(C)C(C)(C)C)cc1 616676231 LKJGGLCUGVWXMX-VWLOTQADSA-N 467.726 7.134 50 10 JKGE Fc1ccc([C@@H](Br)Cc2ccc(Br)cc2)c(F)c1Br 691635611 NTZDBYTVGJAZOB-NSHDSACASA-N 454.934 6.169 50 10 JKGE COc1cc(F)c(Br)cc1[C@H](Br)c1ccsc1Br 698549219 DWMXGRHMEBRVHM-LLVKDONJSA-N 458.972 5.905 50 10 JKGE CC1(C)C[C@@H](Br)C[C@H](NC(=O)c2scc(Br)c2Br)C1 705448387 QEFDHLLRMAINMC-YUMQZZPRSA-N 474.056 5.345 50 10 JKGE FC(F)(F)c1ccc(C[C@H](Br)c2scc(Br)c2Br)cc1 705493241 SUHUNMWYQUAMRW-VIFPVBQESA-N 492.980 6.971 50 10 JKGE COCc1cc(Br)c([C@H](Br)c2ccc(Br)cc2)s1 710852906 CFBGATXIKCDZCL-GFCCVEGCSA-N 455.009 5.904 50 10 JKGE O=C(Cl)/C=C\c1cc(Cl)c(OCc2ccc(Br)cc2)c(Br)c1 1081478563 KEKFDRFZBVDDLJ-UTCJRWHESA-N 464.968 6.223 50 10 JKGE CCOc1ccc(C(=O)NN=Cc2c(C)n(Cc3cccc4ccccc34)c3ccccc23)cc1 1084027208 BYEXTFINRYFLEA-UHFFFAOYSA-N 461.565 6.314 50 10 JKGE COc1cc(/C=C(\C#N)C(=O)Nc2ccccc2)ccc1OCc1ccc(Cl)cc1Cl 1084458209 CYOLVUIAQRAARI-WOJGMQOQSA-N 453.325 6.127 50 10 JKGE FC(F)(F)c1cccc(-n2nc(-c3cccc(I)c3)cc2CCl)c1 1614820917 LBOFYMZXBJZNCI-UHFFFAOYSA-N 462.640 5.902 50 10 JKGE CC(C)=CCC/C(C)=C/C=NNC(=O)c1cc(C(=O)NN=C/C=C(\C)CCC=C(C)C)c(C)nc1C 1772721615 GBIYZCKJMTUOKB-JFVQDLSGSA-N 491.680 6.515 50 10 JKGE CCCCc1ccc(NC(=O)c2oc3c(c2C)C(=NNC(=O)c2ccccc2F)CCC3)cc1 1772743739 GVCNSBQYDVKMFX-UHFFFAOYSA-N 461.537 5.792 50 10 JKGE CCCCOc1ccc(C=NNC(=O)COc2ccc(CCC)cc2Br)cc1OC 1772756003 JJGXVSYXAVTYNJ-UHFFFAOYSA-N 477.399 5.118 50 10 JKGE CCCc1nn(Cc2cc(C)ccc2C)c2c1[C@@H](c1ccc(Cl)c(Cl)c1)C(C#N)=C(N)O2 1865686505 XAVAOLGAYQDMEG-QFIPXVFZSA-N 467.400 6.026 50 10 JKGE CCCCOc1ccc([C@@H]2C(C#N)=C(N)Oc3c2c(-c2ccc(OC)cc2)nn3CCC)cc1 1865690302 NZRRRTLVGCVBIZ-HSZRJFAPSA-N 458.562 5.366 50 10 JKGE COc1ccc(-c2nn(Cc3ccc(Cl)cc3)c3c2[C@@H](c2ccco2)C(C#N)=C(N)O3)cc1 1865698447 UDFKRTHXGWZRPA-OAQYLSRUSA-N 458.905 5.072 50 10 JKGE Cn1cc([C@@H]2C(C#N)=C(N)Oc3c2c(C(F)(F)F)nn3Cc2ccccc2Cl)c2ccccc21 1865698990 HZEIQCXOEMYXKK-IBGZPJMESA-N 483.881 5.313 50 10 JKGE N#CC1=C(N)Oc2c(c(-c3ccccc3)nn2-c2ccc(Cl)c(Cl)c2)[C@H]1c1ccncc1 1865700154 LYBUDKJBCVABEI-FQEVSTJZSA-N 460.324 5.459 50 10 JKGE CCCc1nn(Cc2ccccc2F)c2c1[C@H](c1ccc(N(CC)CC)cc1)C(C#N)=C(N)O2 1865702075 MDIPPDKISNCYBU-XMMPIXPASA-N 459.569 5.087 50 10 JKGE COc1ccc(-c2nn(Cc3cccc(F)c3)c3c2[C@H](c2ccccc2C)C(C#N)=C(N)O3)cc1 1865712983 NPBLJDAQMPZKBT-XMMPIXPASA-N 466.516 5.273 50 10 JKGE CCCc1nc(Nc2ccc(SC#N)cc2)cc(N2CCN(CCc3cccc(OC)c3)CC2)n1 1868387936 CWJYWWNUYQWJFO-UHFFFAOYSA-N 488.661 5.119 50 10 JKGE CCOc1ccc(-c2nc(Nc3ccc(SC#N)cc3)cc(N(C)CCc3cnc[nH]3)n2)cc1 1868527504 CMVOMLRIPWNVSN-UHFFFAOYSA-N 471.590 5.261 50 10 JKGE COc1cc(/C=C(\C#N)c2ccc(Cl)cc2F)cc(Br)c1OCc1ccccc1 1872729538 PXWNNIFSDPYDJA-RQZCQDPDSA-N 472.741 6.893 50 10 JKGE COc1ccc(OC/C(O)=C(\C#N)c2nc(-c3ccc(Cl)cc3)cs2)c(C(C)(C)C)c1 1872748062 GMKGTYARVXLHSG-UZYVYHOESA-N 454.979 6.641 50 10 JKGE COc1cccc(-c2csc(/C(C#N)=C/c3c(OCc4ccccc4)ccc4ccccc34)n2)c1 1872781395 CRWPKXXJFMIBBH-JJIBRWJFSA-N 474.585 7.615 50 10 JKGE CCCOc1ccc(-c2csc(/C(C#N)=C/c3ccc(OC)c(O)c3)n2)cc1OCCC 1872790125 MLYMXGSRGMXBKY-XDHOZWIPSA-N 450.560 6.166 50 10 JKGE CC(C)(C)OC(=O)N[C@H](CBr)Cc1ccc(Br)c(Br)c1 1882088151 OUJVYYALMYVAII-JTQLQIEISA-N 472.015 5.042 50 10 JKGE BrCCCCCCOc1cc(Br)cc(I)c1 1901054307 ZOWUEUVLGJEPBB-UHFFFAOYSA-N 461.963 5.388 50 10 JKGE FC(F)(F)[C@@H]1C[C@@H]1[C@H](Cl)c1c(Br)sc(Br)c1Br 1905842146 DEAHHGSHRWFRED-VPGXFDHMSA-N 477.365 6.514 50 10 JKGE O=S(=O)(c1cscc1Br)N(Cc1ccccc1)C1(CBr)CCC1 1915749865 PWELGXGYMMLRFT-UHFFFAOYSA-N 479.259 5.019 50 10 JKGE CC(C)(CBr)N(Cc1ccccc1)S(=O)(=O)c1ccc(Cl)c(Cl)c1 1915772286 YOOUCLGVWFOAOA-UHFFFAOYSA-N 451.213 5.358 50 10 JKGE CN(C[C@H](Br)COCc1ccccc1)c1ccc(C(F)(F)F)cc1Br 1916332051 AGEKCDPAONDYPJ-HNNXBMFYSA-N 481.150 5.884 50 10 JKGE CCOc1ccccc1[C@@H](Br)c1sc(Br)c(C)c1Br 1922903715 YKYUBMGFENMSPV-GFCCVEGCSA-N 469.036 6.465 50 10 JKGE Cc1c(Br)sc([C@H](Br)c2ccc(Br)o2)c1Br 1922933961 AWDSJJVKVJGJAG-MRVPVSSYSA-N 493.840 6.421 50 10 JKGE FC(F)(F)c1ccc([C@@H](Cl)c2c(Br)sc(Br)c2Cl)cc1 1923050551 WTHXZFHHJVCMIA-MRVPVSSYSA-N 468.947 7.274 50 10 JKGE Cc1ccc(F)c([C@@H](Cl)c2c(Br)sc(Br)c2Cl)c1F 1923066599 ROUIJIIJBVOAHN-MRVPVSSYSA-N 450.957 6.841 50 10 JKGE Fc1ccc(Br)c([C@H](Cl)c2c(Cl)sc(Br)c2Cl)c1 1925587479 JWXMOIBHTNXDGO-QMMMGPOBSA-N 453.385 7.047 50 10 JKGE Clc1cccc(Br)c1[C@H](Br)c1cc(Br)c(Cl)s1 2003557537 HCNIQFWKZJVABF-SNVBAGLBSA-N 479.846 7.064 50 10 JKGE Clc1nc(Cl)n(Cc2scc(Br)c2Br)c1CBr 2006660109 DATOPKAQIBVDQL-UHFFFAOYSA-N 483.838 5.720 50 10 JKGE Cl[C@@H](c1c(Br)sc(Br)c1Br)C1(CC2CC2)CC1 2015725428 KLJLNWLTPWXIMN-VIFPVBQESA-N 463.460 6.896 50 10 JKGE Cc1nsc(Br)c1[C@@H](Cl)c1ccc(Br)cc1Br 2024290301 QCYMWZDNFOSJDX-JTQLQIEISA-N 460.416 6.067 50 10 JKGE CS(=O)(=O)c1sccc1[C@@H](Cl)c1cc(Br)c(Br)s1 2033137821 XPVZQOQASFEOIO-MRVPVSSYSA-N 450.626 5.066 50 10 JKGE FC(F)(F)CC1([C@H](Br)c2cc(Br)c(Br)s2)CCC1 2034503600 BPQGDBDYNXSKSQ-MRVPVSSYSA-N 470.974 6.832 50 10 JKGE CCc1cc(Br)c([C@@H](Br)c2nn(C)c(Br)c2C)s1 2049256564 UDKNLEVZCOJXOL-VIFPVBQESA-N 457.029 5.362 50 10 JKGE Cc1c(Br)sc([C@H](Br)C[C@@H]2CCC[C@@H]3C[C@H]23)c1Br 2057347871 YJXSWYAPEMCTTM-VPOLOUISSA-N 457.069 6.844 50 10 JKGE CC1(C)[C@@H](Br)CCCN1C(=O)c1cc(Br)sc1Br 2076214792 ROQATATWLSKOTD-QMMMGPOBSA-N 460.029 5.051 50 10 JKGE ClCc1cc(Br)c(OCc2csc(Br)c2)c(Br)c1 2084090762 YSPWJSFWBXTNKN-UHFFFAOYSA-N 475.427 6.353 50 10 JKGE CC(C)(CBr)CCCNC(=O)c1c(Br)cccc1Br 2094091597 VUIHSMDJPIJXOJ-UHFFFAOYSA-N 456.016 5.143 50 10 JKGE Cc1csc([C@H](Br)c2c(C)cc(C)c(Br)c2C)c1Br 2100814433 IHLRTASSQYRDMV-CQSZACIVSA-N 467.064 6.991 50 10 JKGE Clc1cc(CC(CBr)(CBr)c2ccc(Br)cc2)sn1 2110935939 ZOTOMRHBAAWNCO-UHFFFAOYSA-N 488.470 5.829 50 10 JKGE CO[C@@H]1CC([C@@H](Br)c2sc(Br)c(C)c2Br)C[C@H]1OC 2118266567 DUHHESGYYMESIN-FXPVBKGRSA-N 477.056 5.458 50 10 JKGE O=C(NCC[C@H]1CCCC[C@H]1Br)c1scc(Br)c1Br 2123028603 PWSJYWQZJVJKHO-RKDXNWHRSA-N 474.056 5.347 50 10 JKGE Cc1oc(C)c(S(=O)(=O)N(Cc2ccccc2)Cc2cccs2)c1CBr 2123201445 WXACOPKXINUSPL-UHFFFAOYSA-N 454.411 5.244 50 10 JKGE Cc1cc(Br)c(C)c([C@@H](Br)C2(C)CC(F)(F)C2)c1Br 2136371626 UUCCHUQPDNUTPC-GFCCVEGCSA-N 460.982 6.700 50 10 JKGE COc1cc(Cl)c([C@H](Br)c2ccc(OCc3ccccc3)cc2)cc1Br 2137649040 SSJNDJRZPUTRFC-OAQYLSRUSA-N 496.626 7.174 50 10 JKGE Cc1c(Br)ccc([C@@H](Br)c2ccc(F)cc2Cl)c1Br 2138849455 DQUTYLBTXPOCQU-AWEZNQCLSA-N 471.389 6.797 50 10 JKGE Cc1c(Br)ccc([C@H](Br)C[C@@H]2CCCOCC2)c1Br 2138859590 CCPSSAJYEVUXGC-BXUZGUMPSA-N 455.028 6.163 50 10 JKGE Cc1cc([C@H](Cl)c2cc(Br)c(Cl)cc2F)ccc1I 2142121322 UWSSNOGDPSTKSD-AWEZNQCLSA-N 473.938 6.483 50 10 JKGE COc1cc([C@H](Br)c2scc(Cl)c2Cl)c(OC)cc1Br 2152521986 DTYLYNSXQSAGEX-NSHDSACASA-N 461.002 6.319 50 10 JKGE Brc1cccc([C@@H](Br)Cc2ccc3c(c2)CCO3)c1Br 2168660280 MBKSAUZIQAKRKM-AWEZNQCLSA-N 460.991 5.825 50 10 JKGE Clc1c(Br)sc(Br)c1[C@H](Cl)Cc1ccc2c(c1)CCO2 2168664030 WQFQMCANYZDQPD-SECBINFHSA-N 457.014 6.384 50 10 JKGE CC(C)(C)[C@H]1[C@@H](Br)CCN1C(=O)c1cc(Br)ccc1Br 2185099663 JGXBTCSBBBKLPS-QWHCGFSZSA-N 468.027 5.236 50 10 JKGE Cc1ncnc(C)c1COc1c(Br)cc(CBr)cc1Br 2187485313 VSQINAFRDHVLKQ-UHFFFAOYSA-N 464.983 5.092 50 10 JKGE C[C@@]1(CC(CBr)(CBr)c2cccc(Br)c2)CCCOC1 2192686822 KHEWVBQYVPSMBV-HNNXBMFYSA-N 469.055 5.684 50 10 JKGE CC[C@@H](N)Cc1cc(Br)cc(Br)c1OC[C@H]1C[C@@H](Br)C1 2196936266 BZRLCABZLYQYPX-SUZMYJTESA-N 470.043 5.044 50 10 JKGE CC1(C)CC[C@@H](CO[C@@H](CI)c2cccc(Br)c2)OC1 2197343201 TYHZCBDHJOQPBE-GJZGRUSLSA-N 453.158 5.147 50 10 JKGE COc1c(Cl)cc(Br)cc1[C@H](Cl)c1ccc(Cl)c(Br)c1 2202999134 PVLOWEPMVIQNMQ-CYBMUJFWSA-N 459.392 6.855 50 10 JKGE O=[N+]([O-])c1cc(Br)c(Oc2ccnc(CBr)c2)c(Br)c1 2205637982 QHVDTPBKPIZZHZ-UHFFFAOYSA-N 466.911 5.202 50 10 JKGE CC(C)(C)CC[C@H](Cl)c1sc(Br)c(Br)c1Br 2212197615 GSZSWFJKOHSTBM-LURJTMIESA-N 453.465 7.142 50 10 JKGE Fc1cc(Br)cc(CBr)c1OCc1cscc1Br 2219922523 GMBRFCQJINTURN-UHFFFAOYSA-N 458.972 5.886 50 10 JKGE CC(F)(F)C1([C@H](Br)c2cc(Br)c(Br)cc2F)CCC1 2225616879 JNIMYXZLADGYMY-LLVKDONJSA-N 464.945 6.612 50 10 JKGE CC[C@@H]1OCC[C@@H]1[C@@H](Br)c1c(Br)cc(C)c(Br)c1C 2227349361 RJSLZQUSJJJQKJ-ITDIGPHOSA-N 455.028 6.080 50 10 JKGE Cc1cc(Br)c([C@H](Br)[C@@H]2C[C@@H]2C(C)(C)C)c(C)c1Br 2227360568 UDATURONYXJLIJ-JRPNMDOOSA-N 453.056 6.947 50 10 JKGE Cc1cc([C@H](Br)Cc2ccc(Br)cc2Cl)ccc1Br 2229152792 QZQYSYREOVGNTM-CQSZACIVSA-N 467.426 6.852 50 10 JKGE COC12CCC([C@@H](Br)c3sc(Br)c(C)c3Br)(CC1)C2 2231593583 FRFXRWCDTCLCNE-XGNXJENSSA-N 473.068 6.367 50 10 JKGE Fc1cc(Cl)ccc1[C@@H](Br)c1c(Br)cc(Cl)c(Cl)c1Cl 2232514954 XWFKSVIZSZEJSS-LLVKDONJSA-N 481.801 7.686 50 10 JKGE Cc1sc([C@H](Br)c2cc(F)ccc2Br)c(Br)c1C 2253503707 GLSDIWCYECWBDY-GFCCVEGCSA-N 457.000 6.513 50 10 JKGE Cc1cc(Cl)c(Cl)cc1[C@H](Cl)c1cc(Br)ccc1I 2264372036 SRIYQQGZMIRAIQ-AWEZNQCLSA-N 490.393 6.997 50 10 JKGE Cc1cc(Br)c([C@H](Br)c2cccc(I)c2)c(C)c1F 2264486780 IPQARCNAJOXGOO-CQSZACIVSA-N 497.971 6.294 50 10 JKGE Fc1ccc([C@H](Br)c2cc(Br)c(F)cc2Cl)cc1Br 2270432156 OOVVERYVIZIIEE-ZDUSSCGKSA-N 475.352 6.628 50 10 JKGE Cc1cc([C@H](Br)c2c(F)cc(Br)c(F)c2Br)c(C)o1 2272850567 WTLOAKCCCWNXMQ-NSHDSACASA-N 458.922 6.184 50 10 JKGE Clc1sc(Cl)c([C@H](Cl)Cc2cc(Br)cc(Br)c2)c1Cl 2277889816 BCBMJWXCDHLUPH-MRVPVSSYSA-N 483.867 7.756 50 10 JKGE CCn1cc([C@H](Br)c2cc3sc(Br)cc3s2)nc1Br 2278109219 YBLNQHOUSPWLSZ-NSHDSACASA-N 485.064 6.189 50 10 JKGE Clc1cc(C[C@@H](CBr)CCc2ccccc2)ccc1I 2286743311 VNYQKLNKZOIOIO-HNNXBMFYSA-N 463.584 6.131 50 10 JKGE Fc1ccc(Cl)c(F)c1[C@H](Br)c1cc2sc(Br)cc2s1 2295498306 QILMANAYNQVYRA-GFCCVEGCSA-N 458.574 7.141 50 10 JKGE CCOC(=O)C(C#N)=C1SC=C(c2ccc(Cl)cc2)C(C#N)=C(N)N1c1ccc(C)cc1 2297534059 NLJULSYCKLIGCN-UHFFFAOYSA-N 462.962 5.235 50 10 JKGE CC(C)(C)[C@@H]1CC(=Cc2cccc(Cl)c2)C2=C(C1)[C@@H](c1cccc(Cl)c1)C(C#N)=C(N)O2 2297710744 NVXPHPHALPJSSC-NTKDMRAZSA-N 465.424 7.595 50 10 JKGE FC(F)[C@@H]1CCc2c(OCc3ccccc3)ccc(Br)c2[C@@H](Br)C1 2299526635 ZTKLAUODAOWZOT-CJNGLKHVSA-N 460.156 6.682 50 10 JKGE Brc1ccc(OCc2ccccc2)c([C@@H](Br)[C@H]2CCCC23CC3)c1 2299527280 GINABTJHTBLHIH-UYAOXDASSA-N 450.214 7.044 50 10 JKGE Fc1c(Cl)cccc1[C@@H](Br)c1sc(Cl)cc1I 2300954169 UBMIFLLLQAYACA-SECBINFHSA-N 465.940 6.283 50 10 JKGE CCOc1cc(C=C(C#N)C(=O)Nc2ccc(Cl)cc2)ccc1OCc1cccc(Cl)c1 2313631952 ZQKUCYIZUWKOGK-UHFFFAOYSA-N 467.352 6.517 50 10 JKGE CCOc1cc(C=C(C#N)C(=O)NC2CCCC2)ccc1OCc1ccc(Cl)cc1Cl 2313683500 UWSYIKORCAEBJR-UHFFFAOYSA-N 459.373 5.937 50 10 JKGE CC1(C)CCC[C@@H]([C@@H](Br)c2ccc(OCc3ccccc3)cc2Br)C1 2314439901 KYAHHDKNCQTOBE-DYESRHJHSA-N 466.257 7.681 50 10 JKGE FC1(F)CC2(C[C@H]2[C@H](Br)c2ccc(OCc3ccccc3)cc2Br)C1 2314443213 FTNNBSXQYDLGBH-FUHWJXTLSA-N 472.167 6.900 50 10 JKGE C=CCNC(=O)C(C#N)=Cc1cn(-c2ccccc2)nc1-c1cccc(OCc2ccc(Cl)cc2)c1 2314478145 GXQSCRWCXQNNOS-UHFFFAOYSA-N 494.982 5.981 50 10 JKGE CC1(C)[C@H]2C[C@H]([C@@H](Br)c3cc(Br)ccc3OCc3ccccc3)C[C@H]21 2314497841 ODZKZOWFMFWJQE-KBMWQNTOSA-N 464.241 7.146 50 10 JKGE COc1cc(C=C(C#N)c2ccc(Cl)cc2)ccc1OC(=O)c1ccc([N+](=O)[O-])cc1Cl 2314720497 SIJVMBRPFBWHGD-UHFFFAOYSA-N 469.280 6.194 50 10 JKGE COC(=O)c1c(NC(=O)C(C#N)=Cc2ccccc2OC)sc(C)c1-c1ccc(F)cc1 2314760441 JZDGBLAWQYSIAH-UHFFFAOYSA-N 450.491 5.204 50 10 JKGE FC(F)(C1CCOCC1)[C@H](Br)c1sc(Cl)cc1I 2316769414 ALFDOIYPHLQHTP-SNVBAGLBSA-N 471.532 5.504 50 10 JKGE Cc1cc(Br)c(F)c(Br)c1[C@@H](Br)[C@@H](F)C(F)(F)F 2317404588 UOUORLHMPHJLIS-VXNVDRBHSA-N 460.860 5.996 50 10 JKGE CC(C)(C)[C@@H]1CC[C@H]1[C@H](Br)c1cc(Br)ccc1OCc1ccccc1 2320103837 LRMRUHGNDZUADX-QFUCXCTJSA-N 466.257 7.536 50 10 JKGE CCOc1cc(C=NNC(=O)c2ccc3[nH]c4c(c3c2)C[C@H](C)CC4)cc(Cl)c1OCC 2323168582 KIVNLHANQLWLSC-OAHLLOKOSA-N 453.970 5.507 50 10 JKGE C[C@H](CCNC(=O)C(C#N)=Cc1ccc(Br)cc1)c1cccc(-c2ccc(O)cc2)c1 2329659755 VXZGXCJTDOSYIA-GOSISDBHSA-N 475.386 6.039 50 10 JKGE COc1cccc(C=C(C#N)c2ccccc2[N+](=O)[O-])c1OCc1ccc(Br)cc1 2331066127 LLPXWJWDEZTTIF-UHFFFAOYSA-N 465.303 6.009 50 10 JKGE CCc1ccc(-c2csc(C(C#N)=C(O)[C@H]3CC(=O)N(c4c(CC)cccc4CC)C3)n2)cc1 2331245757 QJUQJAMPMVZIES-QFIPXVFZSA-N 471.626 6.343 50 10 JKGE CCCCc1ccc(-c2csc(C(C#N)=C(O)CN3C(=O)COc4ccc(Cl)cc43)n2)cc1 2331259516 QGZIACZYQPMKRR-UHFFFAOYSA-N 479.989 6.024 50 10 JKGE COc1ccc(-c2csc(C(C#N)=C(O)[C@@H]3CC(=O)N(c4cc(Cl)ccc4OC)C3)n2)cc1 2331273608 UFMSIHMGBUOJCT-OAHLLOKOSA-N 481.961 5.326 50 10 JKGE CCCCOc1ccc(C(O)=C(C#N)c2nc(-c3cccc(Cl)c3)cs2)cc1OCC 2331294191 AFBGBHPJSQQVTI-UHFFFAOYSA-N 454.979 6.991 50 10 JKGE Cc1cc(-c2csc(C(C#N)=C(O)CCCOc3ccc(C(C)(C)C)cc3)n2)ccc1F 2331320703 WKHNLTMJZWFRNJ-UHFFFAOYSA-N 450.579 7.207 50 10 JKGE COc1c(Cl)cc(Cl)cc1-c1csc(C(C#N)=C(O)CCCOc2ccc(C)cc2)n1 2331362779 PMIRTCSIEFLBCP-UHFFFAOYSA-N 475.397 7.086 50 10 JKGE COc1c(C)cc(Cl)cc1-c1csc(C(C#N)=C(O)COc2cc(Cl)ccc2Cl)n1 2331392263 KOJXXTIZLHTSKS-UHFFFAOYSA-N 481.788 6.959 50 10 JKGE COc1ccc(OC)c(-c2csc(C(C#N)=Cc3ccc(OCc4ccc(C)cc4)c(OC)c3)n2)c1 2331450531 VBJIZIBJHWFNQJ-UHFFFAOYSA-N 498.604 6.788 50 10 JKGE BrC[C@H]1C[C@@H]2CCCC[C@@H]2N1c1ncc(Br)cc1Br 2333970675 FPISXUCFSUGKQX-NDMJEZRESA-N 453.016 5.139 50 10 JKGE Cc1cc(Br)c(F)c(Br)c1[C@@H](Br)c1cccc(Cl)c1 2339649433 VHSCKPITHSGFMB-LBPRGKRZSA-N 471.389 6.797 50 10 JKGE Cc1cc(Br)c(F)c(Br)c1[C@H](Br)[C@H]1C[C@H]1CC(C)C 2339650834 JRQBLWOJGDGTKN-GBIKHYSHSA-N 457.019 6.777 50 10 JKGE Cc1cc(Br)c(F)c(Br)c1[C@@H](Br)C[C@H]1CC[C@@H]2C[C@H]12 2339679616 NMIRAOASAHYJPJ-ZNSHCXBVSA-N 455.003 6.531 50 10 JKGE Clc1ccc(C[C@]2(CBr)CC23CCCCC3)c(I)c1 2341053625 YUVNSMKSASAXIE-MRXNPFEDSA-N 453.589 6.223 50 10 JKGE ClCC[C@@H](NCc1ccc(I)c(Br)c1)C1CCCC1 2349838424 ZTFZCEJTSDYSQN-OAHLLOKOSA-N 456.593 5.331 50 10 JKGE COc1cc([C@H](Br)c2sc(Cl)cc2I)cc(OC)c1C 2364121054 CFARQULRTLNZNT-ZDUSSCGKSA-N 487.584 5.816 50 10 JKGE COc1c(Br)cc(C)c([C@H](Br)C(C2CC2)C2CC2)c1Br 2365188358 KNJOWFUCQQLDIF-AWEZNQCLSA-N 467.039 6.401 50 10 JKGE CC[C@@H](Br)[C@@H]1CCCCN1C(=O)c1ccc(Cl)cc1I 2365582975 XRXJJHDZKRGIPL-OCCSQVGLSA-N 470.576 5.113 50 10 JKGE ClC[C@H](Cc1cccc(Br)c1)Cc1ccc(Cl)cc1I 2366714507 JHYPDRRTVYKAAO-GFCCVEGCSA-N 484.002 6.347 50 10 JKGE CCCOc1ccc([C@H](Br)c2csc(C)c2Br)cc1Br 2369587271 PAEYYIGFBMKOPD-HNNXBMFYSA-N 483.063 6.855 50 10 JKGE O=C1O[C@@H](c2ccccc2)N/C1=C(\c1ccccc1)P(=O)(c1ccccc1)c1ccccc1 3121581 LWPKIIGAPMRTHY-KUTLSEOFSA-N 451.462 5.215 50 10 JKGE N#C/C(C(=O)Nc1cccc(Cl)c1)=C1\S[C@@H](Cc2ccccc2Cl)C(=O)N1c1ccccc1 13584258 FFKSIZPNNCLPDU-KVHSSYOWSA-N 494.403 6.058 50 10 JKGE O=c1nc(Nc2ccccc2)ccn1/C(=N/[C@H](Cl)c1ccccc1)C(Cl)(Cl)Cl 17858677 ZEHRKWKTQWKYAD-MQISTKKBSA-N 456.160 5.541 50 10 JKGE biogenic C=CCNC(=O)/C(C#N)=C\c1cn(-c2ccccc2)nc1-c1ccc(OCc2ccc(Cl)cc2)cc1 33381657 LFALJLFNEZSGGX-QJOMJCCJSA-N 494.982 5.981 50 10 JKGE N#C/C(=C/c1ccc(OCC(=O)c2ccccc2)cc1)c1nc(-c2cccc3ccccc23)cs1 33470795 WEYYWXWJDBVHJH-ULJHMMPZSA-N 472.569 7.289 50 10 JKGE Cc1ccc2[nH]c(/C(C#N)=C/c3cc(Br)ccc3OCc3ccc([N+](=O)[O-])cc3)nc2c1 33472768 YGDYHSZSPLTBBB-WOJGMQOQSA-N 489.329 6.185 50 10 JKGE CCCCCOc1ccc(/C=C(/C#N)C(=O)Nc2ncc(Cc3ccccc3Cl)s2)cc1OC 34722182 FLNRIIFIERPCNE-MOSHPQCFSA-N 496.032 6.511 50 10 JKGE CCOc1ccccc1C(=O)Oc1ccc2c(c1)OC(N)=C(C#N)[C@H]2c1ccc(Cl)cc1Cl 38655606 UBPPPUFOARHDEZ-QHCPKHFHSA-N 481.335 5.829 50 10 JKGE C=CCOc1ccc(C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@@H]3c2c(F)cccc2Cl)cc1 38680410 KOJGGTUCRDKRBG-HSZRJFAPSA-N 476.891 5.481 50 10 JKGE COc1cc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)Cc4ccccc4)ccc32)ccc1OCC(C)C 38684272 PLLGABWOYXSZNF-MUUNZHRXSA-N 484.552 5.096 50 10 JKGE CCCCNC(=O)/C(C#N)=C/c1ccc(OC(=O)/C=C/c2ccccc2OCCCC)c(OC)c1 40992434 VTBNUJBWGYTEPR-SWRQQASDSA-N 476.573 5.316 50 10 JKGE C=CCOc1c(Cl)cc(/C=N\NC(=O)CC[C@@H](O)c2ccc(OCC)cc2)cc1Br 58893840 BUAUJFHQNLGQLY-PUDRWSQFSA-N 495.801 5.030 50 10 JKGE CC(C)(CBr)COc1c(I)cc(Cl)c2cccnc12 96869922 BDRLNWCWXADZBL-UHFFFAOYSA-N 454.533 5.293 50 10 JKGE COc1ccccc1CN(C(=O)CCl)[C@H](C(=O)NC1CCCCCC1)c1ccc(Cl)cc1 97914899 NBCCPCOAJKBNOL-DEOSSOPVSA-N 477.432 5.496 50 10 JKGE CCOc1ccc(N2C(=O)[C@H](Cc3ccccc3)S/C2=C(/C#N)C(=O)Nc2ccccc2OC)cc1 101246687 CCQWTXFUXPVCMD-NNHPPCHPSA-N 499.592 5.159 50 10 JKGE CCCOc1ccc(-c2nn(-c3ccccc3)cc2/C=C(/C#N)c2nc3ccccc3s2)cc1C 102859250 DDDKLJCUZGZLGW-XLNRJJMWSA-N 476.605 7.310 50 10 JKGE Clc1cc(Cl)cc([C@@H](Br)c2cc(Br)ccc2Br)c1 109844697 WDMXRLRTSLNMAF-CYBMUJFWSA-N 473.817 7.003 50 10 JKGE COc1ccc(/C=C\C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@H]3c2cccc3ccccc23)cc1 205647783 INBNGKMOPIJXSG-FWDUINFSSA-N 474.516 5.685 50 10 JKGE CCCCOc1ccc(-c2csc(NC(=O)/C(C#N)=C\c3ccc(OCC)c(OC)c3)n2)cc1 206698779 OGBXGPRXWUQFAA-ZHZULCJRSA-N 477.586 5.942 50 10 JKGE COc1cc(/C=C2\C(=O)N(Cc3ccc(C)cc3)C(=O)C(C#N)=C2C)ccc1OCc1ccc(C)cc1 214383452 KMSXSUCCJDKXAK-YSMPRRRNSA-N 492.575 5.684 50 10 JKGE CC(C)(C)CC(C)(C)N/C=C(/C#N)C(=O)N1CCN(C(c2ccccc2)c2ccccc2)CC1 216499847 FPYRCJJWZDHSBI-DAFNUICNSA-N 458.650 5.132 50 10 JKGE CCOc1ccc(C)cc1[C@@H](C)N/C=C(/C#N)C(=O)Nc1ccc(Cl)c(C(F)(F)F)c1 217249396 HBLPREDTXDJOIB-QAALXFNPSA-N 451.876 5.763 50 10 JKGE COc1ccc([C@H](Br)c2ccc(Cl)c(Cl)c2)c(OC)c1Br 224848727 UFPNIXHSJQQVRU-CYBMUJFWSA-N 454.973 6.257 50 10 JKGE O=c1[nH]c2cc(Br)c([C@@H](Cl)c3cccc(Br)c3Cl)cc2[nH]1 228453098 KNAUMKJBBDMHID-LBPRGKRZSA-N 450.945 5.363 50 10 JKGE O=C(NC[C@@H](Br)c1ccccc1)c1cc(Br)cc(Br)c1 232475034 DVOQEFWJYRIPJU-CQSZACIVSA-N 461.979 5.078 50 10 JKGE Fc1cccc(Cl)c1C[C@@H](Br)c1cc(Cl)ccc1I 236142342 ZOOIYMHQXDBSJF-LLVKDONJSA-N 473.938 6.416 50 10 JKGE CCc1cc(C(=O)NN=Cc2ccc(OC)c(COc3cccc(C(F)(F)F)c3)c2)cs1 254702836 CWLBIBOFPQAUFN-UHFFFAOYSA-N 462.493 5.681 50 10 JKGE CCOc1ccc(C(=O)Oc2ccc3ccccc3c2C=NNC(=O)COc2ccc(C)c(C)c2)cc1 254855967 LOAVDGRYMWGEPD-UHFFFAOYSA-N 496.563 5.604 50 10 JKGE Cc1cc([C@@H](Cl)c2cc(Br)ccc2I)sc1Cl 300478304 ZLIFHSZXNMLGOV-NSHDSACASA-N 461.977 6.405 50 10 JKGE BrCc1c(I)sc2cccc(I)c12 306914164 QWVXHEDJUZODEI-UHFFFAOYSA-N 478.918 5.005 50 10 JKGE Fc1cccc(COc2c(Br)cc(Br)cc2CBr)c1F 381852056 QSWAZGJQZCRKKT-UHFFFAOYSA-N 470.933 5.964 50 10 JKGE O=C(OCc1ccccc1)N1C[C@H](CI)[C@H](c2ccc(Cl)cc2F)C1 382681709 AWKBLNCLHVEKFH-WMLDXEAASA-N 473.713 5.266 50 10 JKGE Cc1ccc(Br)cc1[C@H]1CN(C(=O)OCc2ccccc2)C[C@@H]1CBr 382708608 GFCMLKHYGRCEAC-LPHOPBHVSA-N 467.201 5.505 50 10 JKGE Cc1cc([C@H]2CN(C(=O)OC(C)(C)C)C[C@H]2CI)ccc1Br 382725744 QDVDRVFBTBYBLH-ZIAGYGMSSA-N 480.184 5.143 50 10 JKGE C[C@H](Cl)c1nc2cc(Br)cnc2n1CCCOCCOCc1ccccc1 390607493 DCVSZQPMRCTCAH-HNNXBMFYSA-N 452.780 5.117 50 10 JKGE CC(C)(C)C[C@H](CBr)NC(=O)c1cc(Br)c(Br)s1 393459944 LDLUDBZXBUZAHX-SSDOTTSWSA-N 462.045 5.203 50 10 JKGE Brc1cc2c(cc1[C@@H](Br)c1nscc1Br)OCCCO2 404864729 AUIIYBRLENFXOU-GFCCVEGCSA-N 484.007 5.314 50 10 JKGE COCc1cc(Br)c([C@H](Br)c2cccc(OCc3ccccc3)c2)s1 688072230 ZGCCHSJSTRBIGH-LJQANCHMSA-N 482.237 6.720 50 10 JKGE COCc1cc(Br)c([C@H](Br)c2nscc2Br)s1 688090450 QKKTYRLIFUFUGC-MRVPVSSYSA-N 462.026 5.360 50 10 JKGE CCOc1ccc(Br)cc1[C@@H](Br)Cc1ccccc1Br 692448586 MXIFKHTVYKUJEI-HNNXBMFYSA-N 463.007 6.289 50 10 JKGE Clc1cc(Br)ccc1CC(CBr)(CBr)C1CCOCC1 696866330 MTQSJHTURXSYLA-UHFFFAOYSA-N 489.473 5.848 50 10 JKGE Cc1cc(Br)c([C@H](Br)CC(F)(F)C(F)(F)F)cc1Br 713284853 JQCYMENKYRBXCQ-SECBINFHSA-N 474.887 6.544 50 10 JKGE COc1ccc(C[C@@H](Cl)c2ccc(I)c(Br)c2)cc1 721572484 LIRDAXYDEFDYBK-CQSZACIVSA-N 451.529 5.585 50 10 JKGE COC(=O)/C(F)=C\CCCCCCCCCO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C 725240253 SUNHUNYJAYQYLZ-SLEBQGDGSA-N 484.728 6.710 50 10 JKGE CCOc1ccc(NC(=O)/C(C#N)=C\c2cn(Cc3cccc(Cl)c3)c3ccccc23)cc1 1084199334 SPCSEQZUKROIMB-HKWRFOASSA-N 455.945 6.287 50 10 JKGE CCOc1ccc(-n2c(C)cc(C=NNC(=O)C(=O)Nc3ccc(Oc4ccccc4)cc3)c2C)cc1 1084412758 RBMOYTBPFYQHII-UHFFFAOYSA-N 496.567 5.374 50 10 JKGE Cc1ccc(NC(=O)c2oc3c(c2C)C(=NNC(=O)c2ccc(-c4ccccc4)cc2)CCC3)cc1 1772746733 GCZBIJKLEWNEHI-UHFFFAOYSA-N 477.564 6.286 50 10 JKGE Cc1cc(C)cc(NC(=O)c2oc3c(c2C)C(=NNC(=O)c2ccc(Cl)cc2Cl)CCC3)c1 1772747654 KILMJLDMJJFVGH-UHFFFAOYSA-N 484.383 6.234 50 10 JKGE CCCOc1ccc(C=NNC(=O)CSc2nc(-c3ccc(Cl)cc3)cs2)cc1OCC 1772755204 UOMSCKTYZHXLSJ-UHFFFAOYSA-N 490.050 5.893 50 10 JKGE Cc1ccc(NC(=O)[C@@H](C)Oc2cccnc2NC(=O)Oc2ccc([N+](=O)[O-])cc2F)cc1Cl 1858687645 OHLRARAZMRSFFF-CYBMUJFWSA-N 488.859 5.108 50 10 JKGE CCc1nn(Cc2ccc(Cl)cc2)c2c1[C@@H](c1cccc(Br)c1)C(C#N)=C(N)O2 1865683790 IHMCNJUJOQOVQW-IBGZPJMESA-N 469.770 5.128 50 10 JKGE CCOc1ccc([C@@H]2C(C#N)=C(N)Oc3c2c(CC)nn3Cc2ccc(Cl)cc2)cc1OCC 1865688806 BFRLVABULOVBGX-HSZRJFAPSA-N 478.980 5.163 50 10 JKGE CCCc1nn(Cc2cc(C)ccc2C)c2c1[C@H](c1cccc(OC)c1OCC)C(C#N)=C(N)O2 1865694065 UBEAPQGRAXLXFF-XMMPIXPASA-N 472.589 5.126 50 10 JKGE CCCc1nn(CCC)c2c1[C@H](c1ccccc1OCc1ccc(Cl)cc1)C(C#N)=C(N)O2 1865701342 SRIJSEOELBYCEG-HSZRJFAPSA-N 462.981 5.696 50 10 JKGE COc1ccc([C@H]2C(C#N)=C(N)Oc3c2c(-c2ccccc2)nn3Cc2ccc(Cl)cc2)cc1 1865712803 ILEBBAALUNQOPA-QHCPKHFHSA-N 468.944 5.479 50 10 JKGE N#CC1=C(N)Oc2c(c(C(F)(F)F)nn2-c2cccc(Cl)c2)[C@@H]1c1ccc(Br)cc1 1865714079 CBVLSMFAWQGBHB-OAHLLOKOSA-N 495.686 5.525 50 10 JKGE N#CSc1ccc(NC(=O)[C@@H](NC(=O)CCc2c[nH]c3ccccc23)c2ccccc2)cc1 1866573554 QJUFPRZHGXENAR-VWLOTQADSA-N 454.555 5.170 50 10 JKGE CCC[C@H](NC(=O)[C@@H](c1ccc(Br)cc1)C(C)C)C(=O)Nc1ccc(SC#N)cc1 1866975941 VSQBGBHJCSACQF-LEWJYISDSA-N 488.451 5.685 50 10 JKGE CCCC[C@@H](NC(=O)c1ccc(-c2cc3ccccc3[nH]2)cc1)C(=O)Nc1ccc(SC#N)cc1 1867061773 MNWBWKHAFIVOBK-RUZDIDTESA-N 482.609 6.335 50 10 JKGE COc1cccc(-c2nc(Nc3ccc(SC#N)cc3)cc(N3C[C@@H](C)Cc4ccccc43)n2)c1 1868505289 GGSKZDPKUCREIQ-IBGZPJMESA-N 479.609 6.799 50 10 JKGE N#C/C(=C(/O)CCCOc1ccc(Cl)cc1Br)c1nc(-c2ccccc2)cs1 1872747852 WKZDAGDBGOGWCS-MNDPQUGUSA-N 475.795 6.878 50 10 JKGE CC(C)(C)c1ccc(OCCC/C(O)=C(\C#N)c2nc(-c3ccc(C(C)(C)C)cc3)cs2)cc1 1872751193 WAGHVNPBZMRLPZ-LCUIJRPUSA-N 474.670 8.057 50 10 JKGE CCOc1ccc(OCC)c(-c2csc(/C(C#N)=C(\O)Cc3ccc(OC(C)C)cc3)n2)c1 1872755087 XYWXSYIZEHCFDF-GYHWCHFESA-N 464.587 6.430 50 10 JKGE COc1c(Cl)cc(-c2csc(/C(C#N)=C(\O)c3cc([N+](=O)[O-])ccc3Cl)n2)cc1Cl 1872756053 QPOZOLJKKNKAKO-ATVHPVEESA-N 482.732 6.637 50 10 JKGE C[C@@H](c1ccccc1)N1C[C@@H](/C(O)=C(\C#N)c2nc(-c3ccc(Cl)s3)cs2)CC1=O 1872758420 YZUWEPRSCJZNLF-UUTVVRALSA-N 455.992 5.927 50 10 JKGE COc1cc(/C=C(\C#N)c2nc(-c3cccs3)cs2)ccc1OCc1ccc(Cl)cc1 1872791725 QDYVXKXOJDAEKT-WOJGMQOQSA-N 464.999 7.177 50 10 JKGE CC[C@H](C)[C@@H](/C(O)=C(\C#N)c1nc(-c2cc(C)ccc2OC)cs1)N1C(=O)c2ccccc2C1=O 1873921029 QOMFFHUYPHXZEX-GFJYQKCRSA-N 487.581 5.631 50 10 JKGE CC(C)COc1ccc(/C(O)=C(\C#N)c2nc(-c3ccc(-c4ccccc4)cc3)cs2)cc1 1873940817 JDTIOHTUPPBZFB-RFBIWTDZSA-N 452.579 7.462 50 10 JKGE CN(Cc1ccccc1)[C@@H](Cn1c(CCl)nc2c(Br)cc(F)cc21)C1CC1 1912663755 JDCOAISXAMHTHO-IBGZPJMESA-N 450.783 5.587 50 10 JKGE CC(C)[C@@H](CBr)N(Cc1ccccc1)S(=O)(=O)c1cc(Br)cs1 1915292048 VEAXOXCTXOPQDS-OAHLLOKOSA-N 481.275 5.121 50 10 JKGE Cc1cc([C@@H](Br)c2cc3c(cc2Br)NC(=O)C3)oc1Br 1917612089 ITWOTOOQCFAANB-ZDUSSCGKSA-N 463.951 5.092 50 10 JKGE CC1(CO[C@]2(CI)CCCN(C(=O)OC(C)(C)C)C2)CCCCC1 1945637355 PIZJGJPNBGPLIU-IBGZPJMESA-N 451.389 5.178 50 10 JKGE Brc1sc([C@@H](Br)c2cscc2OCc2ccccc2)cc1C1CC1 1950336028 BARDZDCSVATKKV-SFHVURJKSA-N 484.278 7.513 50 10 JKGE Clc1cc(Br)cc(CN(Cc2ccccc2)[C@H](CBr)C2CC2)c1 1979519210 CXONSTGFZAECKD-LJQANCHMSA-N 457.637 6.278 50 10 JKGE FC(F)(F)[C@]1(CBr)C[C@@H]1c1ccc(OCc2ccccc2)c(OCc2ccccc2)c1 2024237578 HPSAZKDWTBGSMM-QPPBQGQZSA-N 491.347 7.276 50 10 JKGE Brc1cc([C@@H](Br)c2cc(Br)c3c(c2)CCO3)cs1 2030021173 JZPVJFQZTUFCLB-LBPRGKRZSA-N 452.993 5.692 50 10 JKGE Cc1cc([C@H](Br)c2csc(Br)c2Br)cc(C)c1F 2032958777 MDIOSKNWMOFSMU-JTQLQIEISA-N 457.000 6.513 50 10 JKGE Cl[C@@H](C[C@H]1CCC12CCC2)c1c(Br)sc(Br)c1Br 2047937744 ACCMFFPEBHRQSG-SFYZADRCSA-N 477.487 7.286 50 10 JKGE C[C@@]1([C@H](Br)c2sc(Br)cc2Br)CCCCC1(F)F 2048973271 GBPUMSPQKVYAFO-MNOVXSKESA-N 467.011 6.925 50 10 JKGE CN(C(=O)c1cc(Br)sc1Br)C1(CBr)CCCC1 2050798194 LUESSRRSUVTWOF-UHFFFAOYSA-N 460.029 5.053 50 10 JKGE Fc1ccc(Br)cc1[C@@H](Br)c1cc(C2CC2)c(Br)s1 2094674011 QOBVSRDFCYRRDZ-CYBMUJFWSA-N 469.011 6.774 50 10 JKGE C[C@H](Cl)c1nc2cc(I)c(F)cc2n1[C@H]1CC[C@H]1OCc1ccccc1 2100140111 YXKLOPOTGBKMML-OYYNGEPBSA-N 484.740 6.000 50 10 JKGE COc1ccc([C@@H](Br)c2cc(I)ccc2F)c(Cl)c1 2113358457 QVPMQRUCDKXEBC-CQSZACIVSA-N 455.492 5.577 50 10 JKGE Cc1c(Br)sc([C@H](Br)[C@@H]2C[C@@H]2C2CCCCC2)c1Br 2135274243 TZKQDBPLFIARHY-NQBHXWOUSA-N 471.096 7.234 50 10 JKGE COc1c(Cl)cc(Br)cc1[C@@H](Br)c1cc(Br)oc1C 2138248305 ZBVCCQMUKDGWGA-LBPRGKRZSA-N 473.386 6.259 50 10 JKGE Cc1c(Br)ccc([C@H](Br)[C@H]2CC23CC(F)(F)C3)c1Br 2138850717 IAVOWDXOSWCKMT-SKDRFNHKSA-N 458.966 6.391 50 10 JKGE CC1([C@@H](Br)c2ccc(Br)cc2Br)CCCCCCC1 2138870384 ALXLETYBTIHQDU-HNNXBMFYSA-N 453.056 7.398 50 10 JKGE Fc1ccc(C[C@@H](Cl)c2ccc(Br)cc2I)cc1F 2142278934 JSAYYNGGTKQOAY-LLVKDONJSA-N 457.483 5.855 50 10 JKGE CC1(C)C[C@@H](Br)CCN(Cc2ccc(I)c(Cl)c2)C1 2142942660 FULRCAPPTFPHCF-LBPRGKRZSA-N 456.593 5.330 50 10 JKGE Cl[C@@H](Cc1ccccc1I)c1csc2c(Br)cccc12 2143869296 XPJJRCHNNFJSHJ-AWEZNQCLSA-N 477.592 6.791 50 10 JKGE Cc1cc(Br)c(F)c([C@H](Br)c2ccc(C)c(Br)c2C)c1 2145593974 VPOKUGWAHTUMOZ-OAHLLOKOSA-N 464.998 6.760 50 10 JKGE O=C(Nc1ccc(Cl)c(I)c1Cl)c1ccc(CBr)cc1 2150348361 ZIRTVNYWBZPDEM-UHFFFAOYSA-N 484.946 5.745 50 10 JKGE C[C@H](c1cscc1Br)n1c(CCl)nc2cc(I)ccc21 2186664505 SPYDAAFRMQZXNC-MRVPVSSYSA-N 481.584 5.813 50 10 JKGE Cc1cc(Br)c(C)c([C@@H](Br)C2CCCCCCC2)c1Br 2201071032 PBSSTDVMWNXFRT-KRWDZBQOSA-N 467.083 7.625 50 10 JKGE CCO[C@@H]1CC[C@@H]([C@H](Br)c2c(C)c(Br)cc(C)c2Br)C1 2201079115 QSBGVJJWVJFKKT-HSMVNMDESA-N 469.055 6.470 50 10 JKGE Cc1cccc(Br)c1[C@@H](Br)c1c(Br)cc(F)c(Cl)c1F 2201619589 RWCPAFZLSLMXIZ-GFCCVEGCSA-N 489.379 6.936 50 10 JKGE Cc1c(Br)sc([C@@H](Br)[C@@]2(Cl)CC2(C)C)c1Br 2211991135 USYMFJUVVGDCLC-KCJUWKMLSA-N 451.449 6.425 50 10 JKGE Cc1sc([C@H](Br)c2cc(Br)sc2Br)c(C)c1C 2215540288 XZAFASLRYGUONH-SNVBAGLBSA-N 459.066 6.744 50 10 JKGE Fc1cc(Br)c(Br)cc1[C@H](Cl)c1ccc(OCc2ccccc2)cc1 2218599285 ZYCXMKOBZAMINM-HXUWFJFHSA-N 484.590 7.258 50 10 JKGE Clc1cc(Br)ccc1C[C@@H](Br)c1ccc(OCc2ccccc2)cc1 2221700733 VYVQJUHEQYBLRB-HXUWFJFHSA-N 480.627 7.360 50 10 JKGE Clc1c(Br)sc(Br)c1[C@@H](Br)C1C[C@H]2CCC[C@H](C1)C2 2225306177 PZDFIUQEJMAKED-LAEOZQHASA-N 491.514 7.579 50 10 JKGE Fc1cc(Br)c(Br)cc1[C@@H](Br)C1CC2(C1)CC2(F)F 2225619354 HYUHUJVMXHFWCP-WQGPLGNCSA-N 462.929 6.222 50 10 JKGE CC[C@H]([C@@H](Br)c1c(Br)cc(C)c(Br)c1C)C(C)(F)F 2227351132 JYWFTVYFZRVGOI-NOZJJQNGSA-N 462.998 6.946 50 10 JKGE Clc1cc(Br)c([C@@H](Cl)Cc2ccc(Br)cc2)c(Cl)c1Cl 2232515306 ZUDNXUMMONKNLQ-JTQLQIEISA-N 477.838 7.694 50 10 JKGE Cc1cc2nc([C@H](C)Cl)n(C[C@H]3CC3(Br)Br)c2cc1Br 2233040265 OMZMFZSHHMCBFF-DTWKUNHWSA-N 485.445 5.913 50 10 JKGE ClCCc1nc2cc(Br)c(Br)cc2n1CC1SCCS1 2234069135 QSAMTDWIQGDMTN-UHFFFAOYSA-N 456.656 5.149 50 10 JKGE COc1c(C)cc(Br)c(C)c1[C@H](Br)c1scc(Br)c1C 2234518756 ZNTGODHLHFJCFO-ZDUSSCGKSA-N 483.063 6.691 50 10 JKGE COc1ccc([C@@H](Cl)c2ccc(I)cc2)cc1I 2257370331 REKXZIWXVIMTMD-AWEZNQCLSA-N 484.502 5.233 50 10 JKGE Fc1cc(Br)c(F)c(Br)c1[C@@H](Br)[C@@H](F)C(F)(F)F 2259996429 WOVODMRFDOQJNF-HTRCEHHLSA-N 464.823 5.826 50 10 JKGE COc1ccc([C@@H](Cl)c2scc(Br)c2Cl)c(Br)c1Cl 2268256782 DEDCPELBSRKYEB-SECBINFHSA-N 465.421 6.917 50 10 JKGE Fc1cc(Br)c(F)c(Br)c1[C@H](Cl)c1cc(Cl)c(Cl)s1 2272720941 BPGXWHPDCOTWPM-SECBINFHSA-N 471.375 7.186 50 10 JKGE Cc1cc(C(F)(F)F)sc1[C@H](Cl)c1cc(Br)sc1Br 2277879905 VDNMXSIWULXRSX-MRVPVSSYSA-N 454.558 6.990 50 10 JKGE COc1cc(Cl)c(Cl)cc1[C@H](Cl)c1cc(Cl)ccc1I 2279060203 RDYZHGSFLXAYAZ-CQSZACIVSA-N 461.941 6.588 50 10 JKGE COc1cc(C)c([C@H](Br)c2cccc(Cl)c2Br)cc1Br 2283200192 OTCTZEJAMWLXAB-CQSZACIVSA-N 483.425 6.666 50 10 JKGE CC[C@@H](Br)[C@@H]1CCCCN1C(=O)c1ccc(Cl)c(I)c1 2283664739 RYXZTQRKVPDWNL-RISCZKNCSA-N 470.576 5.113 50 10 JKGE COc1c([C@H](Br)c2c(Br)cc(Cl)c(Cl)c2Cl)csc1Cl 2284308793 ICIWPBWBDKMBCO-QMMMGPOBSA-N 499.866 7.617 50 10 JKGE COc1c(Br)cc(Cl)cc1[C@@H](Br)c1csc(Cl)c1OC 2295273928 DMPDNCJWAXZSKU-SNVBAGLBSA-N 461.002 6.319 50 10 JKGE CC(C)(C)[C@@H]1C[C@H]1[C@H](Br)c1cc(Br)ccc1OCc1ccccc1 2299502004 SQXYQDQTGWIVCE-POAQFYNOSA-N 452.230 7.146 50 10 JKGE Brc1ccc(OCc2ccccc2)c([C@@H](Br)C2COCCOC2)c1 2299528325 QPCCNJLDLHQMRW-IBGZPJMESA-N 456.174 5.127 50 10 JKGE Cc1cc(Cl)ccc1[C@H](Br)c1sc(Cl)cc1I 2301084399 SGQCHJFVBFFNHG-NSHDSACASA-N 461.977 6.452 50 10 JKGE COc1ccc(C=C(C#N)C(=O)Nc2cccc(Cl)c2Cl)cc1OCc1ccc(Cl)cc1 2313630555 BQFOBGLDDFRNKU-UHFFFAOYSA-N 487.770 6.780 50 10 JKGE Cc1cc(Br)ccc1[C@@H](Cl)c1ccc(OCc2ccccc2)cc1Br 2314451353 DQDYULDYRMGHAG-OAQYLSRUSA-N 480.627 7.427 50 10 JKGE N#CC(=Cc1ccc(-c2ccc(Cl)cc2)o1)C(=O)Nc1sc2c(c1C(N)=O)CCCC2 2314571643 JGBMDWJXNPFTSY-UHFFFAOYSA-N 451.935 5.185 50 10 JKGE CC1=C(C#N)C(=O)N(C2CCCC2)C(=O)C1=Cc1cn(-c2ccccc2)nc1-c1cc(C)ccc1C 2314616894 MFPUVIIXMKIXOE-UHFFFAOYSA-N 476.580 5.691 50 10 JKGE CC(C)c1ccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)C=Cc4ccc(C(C)(C)C)cc4)ccc32)cc1 2314634235 JHDXUYSLOQUJRB-PMERELPUSA-N 492.619 6.944 50 10 JKGE CCCCCCOc1ccc(C=C(C#N)C(=O)Nc2ccc(OC)cc2[N+](=O)[O-])cc1OC 2314729003 RHYDHWLRGKRYEF-UHFFFAOYSA-N 453.495 5.117 50 10 JKGE CCCCc1ccc(N(C(=O)C(C#N)=Cc2ccc(OC)cc2)S(=O)(=O)c2ccc(C)cc2)cc1 2314777627 NMTQLDFKSQOEFG-UHFFFAOYSA-N 488.609 5.675 50 10 JKGE Fc1c(Br)cc(Cl)c([C@H](Br)[C@@H]2[C@H]3COC[C@H]32)c1Br 2315453851 QPGDYKWVJVTVMI-CVUZSJFPSA-N 463.366 5.333 50 10 JKGE BrC[C@@H](Cc1ccc(I)c(Br)c1)c1ccccc1 2325217327 CWGBITXVXAOYHU-CYBMUJFWSA-N 479.981 5.775 50 10 JKGE N#CSc1ccc(NC(=O)Oc2cccc3c(NC(=O)C=Cc4ccco4)cccc23)cc1 2327457896 PWNKZBBXOWSDLV-UHFFFAOYSA-N 455.495 6.269 50 10 JKGE CCCCCCCCCOc1ccc(C=C(C#N)c2nc3ccccc3n2C)cc1Br 2331019760 WGNASTHDDLDUIW-UHFFFAOYSA-N 480.450 7.529 50 10 JKGE COc1ccc(-c2csc(C(C#N)=C(O)c3ccc4c(c3)C(=O)N(CC(C)C)C4=O)n2)cc1C 2331259199 ZHNDZAYOAQBWOA-UHFFFAOYSA-N 473.554 5.329 50 10 JKGE COc1ccc(C=C(C(O)=C(C#N)c2nc(-c3ccccc3OC)cs2)c2ccccc2)cc1OC 2331282016 SNOUBIFXIOUXMZ-UHFFFAOYSA-N 496.588 6.869 50 10 JKGE CCCOc1ccc(-c2csc(C(C#N)=C(O)C(C#N)=Cc3ccccc3)n2)cc1OCCC 2331293515 UFQGMTPZUOIHED-UHFFFAOYSA-N 471.582 6.788 50 10 JKGE Cc1cc(OCC(O)=C(C#N)c2nc(-c3ccc(C(C)(C)C)cc3)cs2)cc(C)c1Cl 2331332044 YTQDAPRBKJLVCF-UHFFFAOYSA-N 453.007 7.250 50 10 JKGE C[C@@H](Oc1ccc(Cl)cc1Cl)C(O)=C(C#N)c1nc(-c2c[nH]c3ccccc23)cs1 2331348987 HSCKKPXLIGDBPP-GFCCVEGCSA-N 456.354 6.858 50 10 JKGE N#CC(=C(O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1)c1nc(-c2ccc(Oc3ccccc3)cc2)cs1 2331360159 JQVJPVCUOGKJQO-UHFFFAOYSA-N 486.465 6.369 50 10 JKGE CCOc1ccc(OCC)c(-c2csc(C(C#N)=C(O)[C@@H](C)Oc3ccc(C(C)C)cc3)n2)c1 2331376436 DYFFHYDGWLPABA-GOSISDBHSA-N 478.614 6.991 50 10 JKGE Fc1cc(Cl)c(Br)c(Cl)c1[C@H](Cl)c1cccc(OCc2ccccc2)c1 2335278140 AJDHQIGQYCDIBY-LJQANCHMSA-N 474.584 7.802 50 10 JKGE COCC1([C@H](Br)c2cc(Br)ccc2OCc2ccccc2)CC(F)(F)C1 2336045530 XBKWLTUGNXVHFC-GOSISDBHSA-N 490.182 6.526 50 10 JKGE Cc1cc(Br)c(F)c(Br)c1[C@H](Br)[C@H]1CC[C@@H]2C[C@@H]2C1 2339678820 JDELXUATKDSLHR-BSTOTGJRSA-N 455.003 6.531 50 10 JKGE Fc1cccc(CBr)c1OCc1ccc(I)c(Br)c1 2349804904 TWRIOIIIJYZRPQ-UHFFFAOYSA-N 499.943 5.667 50 10 JKGE C[C@@H]1CC([C@@H](Br)c2c(Cl)cc(Br)c(F)c2Br)C[C@@H](C)O1 2362227067 ZORLFAUTPAAKQV-NQYJQULFSA-N 493.436 6.644 50 10 JKGE Cc1cc(Br)c(F)c(Br)c1[C@H](Br)[C@@H]1CCCC(C)(C)O1 2365194585 SHBBWYXQXRMDMF-CMPLNLGQSA-N 473.018 6.443 50 10 JKGE CC(C)(C)[C@@H]1CC[C@@H](Cl)[C@H](Cc2ccc(I)c(Br)c2)C1 2377293397 YXQOFLSZVJELPH-UMVBOHGHSA-N 469.632 6.666 50 10 JKGE Clc1ccc(I)cc1C[C@H]1CCCCCCCC[C@@H]1Br 2380522862 POOMTLGSQWHQCL-CJNGLKHVSA-N 469.632 7.001 50 10 JKGE Cc1ccc(CBr)c(OCc2cc(Br)ccc2Cl)c1Br 2380675086 VDDKHKQUYQBWLA-UHFFFAOYSA-N 483.425 6.647 50 10 JKGE CC(C)(C)c1cc(/C=C(/C#N)C(=O)Nc2ccc([N+](=O)[O-])cc2Cl)cc(C(C)(C)C)c1O 6075299 OKJFKNORZUQNQO-DHDCSXOGSA-N 455.942 6.094 50 10 JKGE COc1cc(/C=C(/C#N)C(=O)Nc2ccc([N+](=O)[O-])cc2)ccc1OCc1cccc2ccccc12 6906947 QEFGDOSLQBXBNP-JCMHNJIXSA-N 479.492 5.881 50 10 JKGE N#C/C(=C\c1ccccc1OCc1cccc2ccccc12)C(=O)Nc1ccc([N+](=O)[O-])cc1O 12555865 FIIAWYMQVDFLAW-KGENOOAVSA-N 465.465 5.578 50 10 JKGE O=C(NNc1nc(-c2ccccc2Cl)c2cc(Br)ccc2n1)c1ccc(Cl)cc1 27439892 OLVIIXCSPGKGRZ-UHFFFAOYSA-N 488.172 6.123 50 10 JKGE N#C/C(=C\c1ccc(OCC(=O)O)c(I)c1)c1ccc(Cl)c(Cl)c1 33471686 ZUFGMSZXTMSXSQ-LFYBBSHMSA-N 474.081 5.126 50 10 JKGE CCCOC(=O)c1ccc2ccccc2c1OC(=O)[C@@]12CC[C@@](C)([C@@H]1Br)C2(C)C 33514189 TUKAUFMOSZXVFU-NKKJXINNSA-N 459.380 5.902 50 10 JKGE C=CCNC(=O)/C(C#N)=C/c1ccc(OC(=O)c2c(Cl)ccc(Cl)c2Cl)c(OC)c1 33656201 KJKQUNJYKVEVSA-UKTHLTGXSA-N 465.720 5.084 50 10 JKGE CC/C(=N/NC(=O)CSc1nnc(-c2ccc(Cl)cc2)n1-c1ccccc1)c1ccccc1 34098800 AIGJVCIBGAENSK-QYQHSDTDSA-N 476.005 5.610 50 10 JKGE CCCCN(CC(=O)N1c2ccccc2-n2cccc2[C@@H]1c1cccc(Cl)c1)C(=O)[C@@H](C)Cl 35708127 LPIPGXXKZQCQHM-CJAUYULYSA-N 484.427 5.823 50 10 JKGE Cc1cc(Cl)ccc1OCC(=O)Oc1ccc2c(c1)OC(N)=C(C#N)[C@@H]2c1ccc(C(C)C)cc1 38649612 VJASHOUAAZNLGJ-HHHXNRCGSA-N 488.971 5.974 50 10 JKGE N#CC1=C(N)Oc2cc(OC(=O)Cc3cccc4ccccc34)ccc2[C@@H]1c1ccccc1F 38652110 XSFJKFKYQMCFQQ-MHZLTWQESA-N 450.469 5.345 50 10 JKGE CCCCOc1ccc(C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@H]3c2cccc3ccccc23)cc1 38657805 AIKRSHFQWBMILJ-LJAQVGFWSA-N 490.559 6.456 50 10 JKGE COc1ccccc1OCC(=O)Oc1ccc2c(c1)OC(N)=C(C#N)[C@@H]2c1c(Cl)cccc1Cl 38679574 ZYJAOTMSUCLXAO-HSZRJFAPSA-N 497.334 5.205 50 10 JKGE CCCCOc1ccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4cccs4)ccc32)cc1OCC 38684049 CYZPZBUAOFBTKE-VWLOTQADSA-N 490.581 5.763 50 10 JKGE Cc1cccc(NC(=O)/C(C#N)=C\c2c(Oc3cc(C)cc(C)c3)nc3c(C)cccn3c2=O)c1 39858783 UXCLDONRPRNSTG-QNGOZBTKSA-N 464.525 5.266 50 10 JKGE Cc1c(C(=O)Nc2cccc3ccccc23)oc2c1/C(=N/NC(=O)c1ccc3ccccc3n1)CCC2 40825848 QKXIYHKRCVAAGW-IWBSIUBASA-N 488.547 6.012 50 10 JKGE CCOc1cc(/C=N/NC(=O)c2ccc(C(C)(C)C)cc2)ccc1OC(=O)c1ccc(OC)cc1 48573532 AWTAYHPCCLKAFO-RDRPBHBLSA-N 474.557 5.375 50 10 JKGE CCOc1ccc([C@H](O)CCC(=O)N/N=C\c2cc(C)n(-c3ccc(N(CC)CC)cc3)c2C)cc1 58894562 SGMOXNGBQKNYKY-WVGJAKOGSA-N 490.648 5.303 50 10 JKGE Brc1ccc([C@@H](Br)c2ccc(I)cc2)s1 71102706 QFMVZJZVCVXHPT-NSHDSACASA-N 457.956 5.600 50 10 JKGE Brc1ccc(O[C@@H]2C[C@@H](Br)C23CCCCC3)c(Br)c1 97647338 JEZCSLZDOBAGOQ-ZIAGYGMSSA-N 453.012 6.077 50 10 JKGE Fc1cc([C@@H](Br)c2cc(Cl)c(Br)cc2F)ccc1Br 97895944 GPBBZWHJUFENSU-CYBMUJFWSA-N 475.352 6.628 50 10 JKGE C=CCOc1ccc(-c2nn(-c3ccccc3)cc2/C=C2/C(=O)N(CC)C(=O)C(C#N)=C2C)cc1C 101304873 HRGYZXLFPLDFBQ-LFVJCYFKSA-N 478.552 5.025 50 10 JKGE CCOC(=O)c1c(N/C=C(\C#N)c2nc(-c3cccc([N+](=O)[O-])c3)cs2)sc(C(=O)OC)c1C 102563030 BOUXSOLQZWKZKW-GXDHUFHOSA-N 498.542 5.028 50 10 JKGE O=c1[nH]c2cc(Br)c([C@@H](Cl)c3cc(Br)ccc3Cl)cc2[nH]1 109883702 XOZYOXCJIZRKAX-CYBMUJFWSA-N 450.945 5.363 50 10 JKGE COc1ccccc1CC(CBr)(CBr)c1ccccc1Br 118878860 XLNAYAFPDCAAJM-UHFFFAOYSA-N 477.034 5.728 50 10 JKGE COc1cc(C)c([C@@H](Br)c2cc(Br)c(Br)s2)cc1OC 128556863 KJPPLIBADRUCTC-CYBMUJFWSA-N 485.035 6.083 50 10 JKGE Cn1c(=O)oc2cc([C@@H](Br)c3cc(Br)ccc3Br)ccc21 161097378 XGACJLNVNMIHGB-CQSZACIVSA-N 475.962 5.141 50 10 JKGE Cc1ccccc1C(CBr)(CBr)Cc1ccc(Br)cc1Cl 168968150 PLUXSZXXZHVGJP-UHFFFAOYSA-N 495.480 6.681 50 10 JKGE CCSc1ccc(Cl)cc1CC(=O)N/N=C\c1ccccc1OCc1ccc(C)cc1 169922304 CZLWIKYUZVULHU-YUMHPJSZSA-N 453.007 6.032 50 10 JKGE CCN1C(=O)C(C#N)=C(C)/C(=C/c2cn(-c3ccccc3)nc2-c2ccc(OC(C)C)cc2C)C1=O 214211952 WPTQPBXILBILKC-MYYYXRDXSA-N 480.568 5.247 50 10 JKGE CC[C@H](C)N1C(=O)C(C#N)=C(C)/C(=C/c2cn(-c3ccccc3)nc2-c2ccc3ccccc3c2)C1=O 214254491 YATSCLUURFMHHD-XIAMHYJPSA-N 486.575 6.083 50 10 JKGE Cc1ccc2nc(-c3ccc(N/C=C(/C#N)C(=O)Nc4ccccc4C(C)C)cc3)sc2c1 217122516 FIPBEJGIZOLIQK-SILNSSARSA-N 452.583 6.853 50 10 JKGE CC[C@@]1(C)[C@@H](Oc2cc(Br)c(OC)cc2Br)C[C@H]1Br 222217614 HFQYJQIOTGLLGN-HZSPNIEDSA-N 457.000 5.551 50 10 JKGE Brc1ccc(I)c([C@@H](Br)c2ccccc2)c1 232483105 QKLOGDCGMFPZGS-ZDUSSCGKSA-N 451.927 5.538 50 10 JKGE COc1ccc([C@H](Br)c2cccc(C)c2I)c(Cl)c1 235001061 SDJCHJUGPDEGDS-AWEZNQCLSA-N 451.529 5.746 50 10 JKGE Cc1cccc([C@@H](Br)c2cc(Br)c(C)s2)c1I 235927702 AQWUZWUSYRQUON-GFCCVEGCSA-N 486.010 6.216 50 10 JKGE Clc1ccsc1[C@H](Br)c1cc(I)ccc1Br 236053101 YSUPXUCNNUWTBG-SNVBAGLBSA-N 492.401 6.253 50 10 JKGE FC(F)(F)C([C@H](Br)c1cc(Br)c(Br)s1)C(F)(F)F 236097996 BDUGONHTORJWNJ-SCSAIBSYSA-N 484.879 6.450 50 10 JKGE Cc1ccc([C@H](C(=O)N[C@@H]2CCC[C@@H](C)[C@H]2C)N(CCC2=CCCCC2)C(=O)CCl)cc1 252587082 VMZJSCDHCQVVSX-LXRCUPKFSA-N 459.074 5.935 50 10 JKGE CCCCCOc1ccccc1C=NNC(=O)c1ccc(OCc2ccc(Cl)cc2)cc1 252621227 MVPQFYVCPOCPAH-UHFFFAOYSA-N 450.966 6.252 50 10 JKGE CCOc1ccc(NC(=O)C(=O)NN=C2CC[C@@H]3[C@@H]4CCc5cc(OC)ccc5[C@H]4CC[C@@]23C)cc1 254303667 MNXVBXWQINRGGF-DOUCHOMGSA-N 489.616 5.061 50 10 JKGE COc1cc(C=NNC(=O)CCCOc2ccc(Cl)cc2Cl)ccc1OCc1ccccc1 263632440 KAEZVLMQMQLIIX-UHFFFAOYSA-N 487.383 5.890 50 10 JKGE BrCc1csc2c(I)ccc(I)c12 306831761 LCTJXQDTHOKIKN-UHFFFAOYSA-N 478.918 5.005 50 10 JKGE Cc1cc(C)c([C@@H](Br)c2cc(Cl)ccc2Br)c(C)c1Br 312505840 CUHLRESACRHJJN-INIZCTEOSA-N 481.453 7.275 50 10 JKGE COc1c(C)cc(Br)c(C)c1[C@H](Br)c1cccc(OCc2ccccc2)c1 380533712 LQLYYFXADDYONX-JOCHJYFZSA-N 490.235 7.138 50 10 JKGE Cc1ccc([C@H]2CN(Cc3ccccc3)C[C@H]2CBr)cc1I 382680221 ALQPVMBKWSLVMI-QZTJIDSGSA-N 470.192 5.210 50 10 JKGE CC(C)(C)OC(=O)Nc1ccc([C@@H]2Cc3ccccc3N(CCO[Si](C)(C)C(C)(C)C)C2)cc1 616673347 RLPUQTROMVRDLZ-HSZRJFAPSA-N 482.741 7.202 50 10 JKGE Fc1ccc(COc2cc(Br)ccc2CBr)c(Br)c1 691444829 PEGHNSUDUXDBMA-UHFFFAOYSA-N 452.943 5.825 50 10 JKGE Cn1c(Cl)cnc1CC(CBr)(CBr)c1cccc(Br)c1 700226996 KYPHNOCXCYJDFL-UHFFFAOYSA-N 485.445 5.106 50 10 JKGE O=C(c1scc(Br)c1Br)N(CCBr)Cc1ccccc1 705417359 FXXIEIQCZIJDHY-UHFFFAOYSA-N 482.035 5.310 50 10 JKGE Brc1cccc([C@H](Br)c2cc(Br)cc3c2OCCC3)c1 711146528 ANJKIPATUVUVSR-HNNXBMFYSA-N 460.991 6.021 50 10 JKGE CCO[C@@H]1CCC[C@H](O[C@@H](CI)c2ccccc2Br)C1 721644300 WZDIBTGZNFQVDA-WWGRRREGSA-N 453.158 5.290 50 10 JKGE Cc1cc(C=NNC(=O)CSCc2ccccc2Br)c(C)n1-c1ccccc1 725417164 QPGVVPFSWZZMAO-UHFFFAOYSA-N 456.409 5.240 50 10 JKGE Cc1cc(Cl)ccc1NC(=O)C(=O)NN=Cc1cc(C)n(-c2cc(Cl)ccc2Cl)c1C 1084018876 VGDXSHDYJRULPR-UHFFFAOYSA-N 477.779 5.452 50 10 JKGE COc1cc(C=NNC(=O)CC[C@H](O)c2ccccc2)ccc1OCc1ccc(Br)cc1 1084097636 XPVUWTBECDUAQK-QFIPXVFZSA-N 497.389 5.001 50 10 JKGE O=C(NN=Cc1ccc(-c2ccc([N+](=O)[O-])cc2Cl)o1)c1cc2cc(Br)ccc2o1 1084098248 JESCGFUEPJSAHU-UHFFFAOYSA-N 488.681 5.781 50 10 JKGE COc1ccccc1/C(C#N)=C/c1cccc(OC(=O)CCCOc2ccc(Cl)cc2Cl)c1 1615067274 WSCLDJATOVFLAL-XMHGGMMESA-N 482.363 6.831 50 10 JKGE Cc1c(C(=O)Nc2cccc3ccccc23)oc2c1C(=NNC(=O)c1cccc([N+](=O)[O-])c1)CCC2 1772745732 FVTWDCOQHNWRCP-UHFFFAOYSA-N 482.496 5.372 50 10 JKGE CCCCCOc1ccc([C@H]2C(C#N)=C(N)Oc3c2c(C(F)(F)F)nn3-c2ccc(OC)cc2)cc1 1865690138 JOSKDXISDPWTIE-NRFANRHFSA-N 498.505 5.687 50 10 JKGE CCN(CC)c1ccc([C@@H]2C(C#N)=C(N)Oc3c2c(C(F)(F)F)nn3Cc2ccccc2F)cc1 1865702183 OXCQPJJAUCVQRK-HXUWFJFHSA-N 485.485 5.154 50 10 JKGE CCCn1nc(C)c2c1OC(N)=C(C#N)[C@H]2c1c(OCc2ccccc2)ccc2ccccc12 1865704514 XRTUWAKGKMIXTQ-AREMUKBSSA-N 450.542 5.552 50 10 JKGE CCOC(=O)c1c(-c2ccc(C(C)C)cc2)csc1NC(=O)/C(C#N)=C/c1ccc(C)cc1 1866127026 DCGJAXPLJKJKJX-HYARGMPZSA-N 458.583 6.569 50 10 JKGE CSCC[C@@H](NC(=O)C[C@H](c1ccc(C)c(C)c1)C1CC1)C(=O)Nc1ccc(SC#N)cc1 1866723991 KZAHTEJKDJBZPZ-BJKOFHAPSA-N 481.687 5.637 50 10 JKGE COCCc1nc(Nc2ccc(SC#N)cc2)cc(N2CCO[C@@H](c3cccc(Cl)c3)C2)n1 1868253013 AEAHYYGSWZQNCC-OAQYLSRUSA-N 482.009 5.214 50 10 JKGE C[C@@H](c1ccccc1)N1C[C@H](/C(O)=C(\C#N)c2nc(-c3ccc([N+](=O)[O-])cc3)cs2)CC1=O 1872747008 KABALVAEBRXGTA-BBTAVVNOSA-N 460.515 5.121 50 10 JKGE COc1ccc(Cl)cc1N1C[C@H](/C(O)=C(\C#N)c2nc(-c3ccc(C(C)C)cc3)cs2)CC1=O 1872752251 TXSQIRYQMWIUER-OFGUMHRGSA-N 494.016 6.441 50 10 JKGE COc1c(C)cc(Cl)cc1-c1csc(/C(C#N)=C(O)/C=C/c2ccc([N+](=O)[O-])cc2)n1 1872757150 SGHOIZGPNWSNBJ-MBHKSPPESA-N 453.907 6.195 50 10 JKGE CCCCCCOc1ccc(/C(O)=C(\C#N)c2nc(-c3ccc(OC)c(Cl)c3)cs2)cc1 1872757456 HGXMVAUPFKCEIS-GFMRDNFCSA-N 469.006 7.381 50 10 JKGE CC[C@@H](C)N1C(=O)c2ccc(/C(O)=C(\C#N)c3nc(-c4cc(C)ccc4OC)cs3)cc2C1=O 1873921007 PSPJIKPVGYXZHG-LYLVPTPKSA-N 473.554 5.472 50 10 JKGE CC[C@H](Br)CN(Cc1ccccc1)Cc1sc(Cl)cc1Br 1892989578 LUHRXXLTOMPGMH-ZDUSSCGKSA-N 451.655 6.340 50 10 JKGE BrCC1(Cc2cccc(Br)c2Br)CC2(CCCC2)C1 1912586738 MOVKKCNWJAXFGN-UHFFFAOYSA-N 451.040 6.490 50 10 JKGE C[C@@H]1CN(Cc2ccccc2)C[C@@H](C)N(c2cc(Br)ccc2CBr)C1 1921467250 WIXVVXPKYANAAT-IAGOWNOFSA-N 466.261 5.691 50 10 JKGE FC(F)(F)C(F)(F)C[C@@H](Cl)c1c(Br)sc(Br)c1Cl 1923066140 MGJNYMHTSGKGSC-UWTATZPHSA-N 456.883 6.794 50 10 JKGE Clc1c(Br)sc(Br)c1[C@@H](Br)C[C@H]1CCCO1 1923067732 HPDZNPPCRDIVMR-RITPCOANSA-N 453.421 5.932 50 10 JKGE C[C@]1([C@@H](Br)c2c(Br)sc(Br)c2Cl)CC1(F)F 1923074482 MXNPAFBJVVNYBB-YLWLKBPMSA-N 459.375 6.408 50 10 JKGE C[C@H]([C@@H](Cl)c1c(Br)sc(Br)c1Br)C(C)(C)C 1924605205 NWICVMAHVLSCNG-SVGQVSJJSA-N 453.465 6.998 50 10 JKGE Cc1ccc([C@H](Br)c2cc(I)sn2)c(C)c1Br 2007648512 WMKJVXLTEYNPTR-LBPRGKRZSA-N 486.998 5.611 50 10 JKGE Cc1nn(C)c([C@@H](Cl)c2cc(Br)sc2Br)c1Br 2017382022 ASIIVPMYMBRWSQ-QMMMGPOBSA-N 463.420 5.406 50 10 JKGE CCCc1ccc([C@@H](Br)c2cccc(Br)c2Br)s1 2031481478 HFIOXYBCTAZDLH-AWEZNQCLSA-N 453.037 6.710 50 10 JKGE Cc1cc(Br)c(F)c([C@@H](Br)c2sc(Br)cc2C)c1 2038510658 DHAVSJHIFHRKQU-LLVKDONJSA-N 457.000 6.513 50 10 JKGE C[C@@H](CCCCCI)NCc1cc(Cl)ccc1I 2054157556 GUZLYAZOSKIUCO-NSHDSACASA-N 491.582 5.418 50 10 JKGE Cc1c(Br)cc(CBr)cc1S(=O)(=O)N(Cc1ccccc1)CC(F)F 2059286272 JYCASBPSEVTRFZ-UHFFFAOYSA-N 497.199 5.108 50 10 JKGE Cc1nn(C)c(Br)c1[C@@H](Cl)c1cc(Br)ccc1Br 2065885729 FJDSPTZLWINHLD-NSHDSACASA-N 457.391 5.344 50 10 JKGE CC(=O)O[C@@H]1CC[C@@]2(C)C(=CC[C@H]3[C@@H]2CC[C@]2(C)C(n4cnc5ccccc54)=C(C=O)C[C@H]32)C1 2069358163 BYOULNBXJIWWLD-FQPCPTQHSA-N 458.602 5.951 50 10 JKGE CC(C)(C)OC(=O)NCCSSCCN[C@@H]1CCN(C(=O)OC(C)(C)C)[C@H](C2CCC2)C1 2073716861 CPBXNUMOYWYJDU-MOPGFXCFSA-N 489.748 5.050 50 10 JKGE C[C@@]1(C2CC2)CN(c2ccc(Br)cc2CBr)CCN1Cc1ccccc1 2094732774 MLBGTLZCCAQYAU-QFIPXVFZSA-N 478.272 5.835 50 10 JKGE CCN(c1cc(C)cc(Br)c1CBr)C1CCN(Cc2ccccc2)CC1 2116805624 JOPMWCHSJXVWLI-UHFFFAOYSA-N 480.288 6.143 50 10 JKGE BrCC[C@H]1CCCN(Cc2cc(Br)ccc2Br)CC1 2118523592 AFCBGCIROWMXOQ-GFCCVEGCSA-N 454.044 5.599 50 10 JKGE CC(C)(C)N(Cc1ccccc1)S(=O)(=O)c1c(CBr)sc2ccccc12 2123247770 SNHSULNFCRZZAX-UHFFFAOYSA-N 452.439 5.786 50 10 JKGE Cc1cc(Br)ccc1[C@@H](Br)c1cc(Br)c(Cl)cc1C 2137642976 NRXLHJAWYIUVGG-OAHLLOKOSA-N 467.426 6.966 50 10 JKGE Clc1ccc(C(CBr)(CBr)Cc2cc(Br)sn2)cc1 2139779982 MAXDMWBVXYEHPE-UHFFFAOYSA-N 488.470 5.829 50 10 JKGE Fc1ccc([C@H](CBr)Cc2ccc(I)c(Cl)c2)cc1 2142939436 GVUXDHDLWBDBCQ-LBPRGKRZSA-N 453.520 5.805 50 10 JKGE CC[C@](CBr)(Cc1ccc(Br)cc1Br)c1ccccc1 2148680435 DFKCOXRUVAETIB-QGZVFWFLSA-N 461.035 6.497 50 10 JKGE Cc1cc(Br)c([C@H](Br)Cc2c(Cl)cccc2Cl)cc1Cl 2161069501 VIKVCCYQPMZFHQ-GFCCVEGCSA-N 457.420 7.396 50 10 JKGE FC1(F)CCC2(CC1)[C@@H](Br)C[C@H]2Oc1ccccc1I 2177594957 CBCROCYIJPXVGJ-QWHCGFSZSA-N 457.096 5.402 50 10 JKGE CCOc1ccc([C@@H](Br)c2c(Br)nn(C)c2C)c(Br)c1 2188149275 YQMRIDHKXXTSJU-CYBMUJFWSA-N 466.999 5.137 50 10 JKGE Cc1cc(Br)c(C)c([C@H](Br)CC(F)(F)C(F)(F)F)c1Br 2201063715 URWALBSNXKLDGT-MRVPVSSYSA-N 488.914 6.852 50 10 JKGE Cc1cc(Cl)c(Br)cc1[C@@H](Br)Cc1c(Cl)cccc1Cl 2202368953 ZGIYXWULHAVTSQ-NSHDSACASA-N 457.420 7.396 50 10 JKGE CCc1cccc(CBr)c1OCc1ccc(I)c(Cl)c1 2208035781 HQFIYEZJEPCCCA-UHFFFAOYSA-N 465.556 5.981 50 10 JKGE Cc1cccc(C[C@@H](CBr)Cc2ccc(I)c(Cl)c2)c1 2208043678 JFOQAIJYYVLJAR-OAHLLOKOSA-N 463.584 6.049 50 10 JKGE Clc1cc(Br)ccc1C[C@H](Br)c1csnc1Br 2215851444 HNIUZZTVRLEJQD-VIFPVBQESA-N 460.416 6.000 50 10 JKGE BrCC(CBr)(Cc1c(Br)sc2ccccc12)C1CC1 2224709104 MTNRZIFTWNLHMS-UHFFFAOYSA-N 467.064 6.393 50 10 JKGE C[C@@H](Cl)c1nc2cccc(Br)c2n1C[C@H]1CC1(Br)Br 2224800207 FOPWAOQVCDSGDD-HTQZYQBOSA-N 471.418 5.605 50 10 JKGE Fc1cc(Br)c(Br)cc1[C@@H](Br)C1CCC(F)(F)CC1 2225619656 LUWNAXKJYDOTTD-LBPRGKRZSA-N 464.945 6.612 50 10 JKGE Fc1cc(Br)cc2c1nc(CCl)n2CCCOCCOCc1ccccc1 2232928245 LYTKJYWTJDAWBJ-UHFFFAOYSA-N 455.755 5.300 50 10 JKGE Fc1cc(Br)c(Br)cc1[C@@H](Br)[C@@H]1C[C@H]1c1ccccc1 2233976021 NBTVAEDZOHJYKV-USBNGQNGSA-N 462.982 6.590 50 10 JKGE Fc1cc(Br)c(Br)cc1[C@H](Br)c1cccc2ccsc12 2233991362 BNYSOIOVYPISOX-CQSZACIVSA-N 479.006 7.050 50 10 JKGE Cc1cc([C@H](Cl)c2ccc(Br)c(C)c2Br)cc(C)c1Br 2235682686 AXOXANQTGXNTFD-INIZCTEOSA-N 481.453 7.228 50 10 JKGE Cc1ccc([C@@H](Br)c2c(F)cc(F)c(Br)c2F)c(Br)c1 2236112666 VEXSAGHARSDYGL-GFCCVEGCSA-N 472.924 6.422 50 10 JKGE COc1cc(F)c(Br)cc1[C@@H](Cl)c1cc(C)ccc1I 2241001742 QOUUOXMDILPHOE-HNNXBMFYSA-N 469.519 5.838 50 10 JKGE CCc1nn(C)c([C@@H](Br)c2sc(C)c(C)c2Br)c1Br 2264468972 OSHDVYKPMNNQEV-LLVKDONJSA-N 471.056 5.670 50 10 JKGE COc1cc(Cl)c([C@H](Br)c2scc(Br)c2Cl)cc1Cl 2264607513 NEFGNAIYEYBUGC-JTQLQIEISA-N 465.421 6.964 50 10 JKGE CC(C)(C1CCC1)[C@H](Br)c1c(F)cc(Br)c(F)c1Br 2272736321 YDQSHVNYVOXBBY-CYBMUJFWSA-N 460.982 6.752 50 10 JKGE Fc1cc(Br)c(F)c(Br)c1[C@H](Br)[C@@]12CCOC[C@@H]1C2 2272848106 RQZJQUXOLMIHJV-SQPCXJJOSA-N 460.938 5.352 50 10 JKGE Fc1cccc(I)c1[C@@H](Br)c1cc(Cl)cc2c1OCC2 2282893602 KPEZTTSWEVROOX-AWEZNQCLSA-N 467.503 5.503 50 10 JKGE COc1ccc([C@H](Br)c2ccc(Cl)cc2Cl)c(Br)c1Cl 2283563783 OYCZENYSXINXSL-GFCCVEGCSA-N 459.392 6.902 50 10 JKGE Clc1ccc([C@H](Br)Cc2nc3ccccc3o2)cc1I 2283566501 RQYLQWJLVPQBBN-SNVBAGLBSA-N 462.512 5.765 50 10 JKGE COc1cc(C)c(Br)c(C)c1[C@H](Br)c1scc(C)c1Br 2285065505 OEDUZVUHXUKQCB-AWEZNQCLSA-N 483.063 6.691 50 10 JKGE COc1ccc(Br)c2c1nc([C@@H](C)Cl)n2C[C@H](C)N(C)Cc1ccccc1 2286086072 XEIJEXYQRPILEX-LSDHHAIUSA-N 450.808 5.628 50 10 JKGE CC(C)(C)C1CC(CBr)(NC(=O)c2csc(Br)c2Br)C1 2289830767 ILJHLKKEHKCIHZ-UHFFFAOYSA-N 488.083 5.593 50 10 JKGE COc1c(C)cc(C)cc1[C@@H](Br)c1cccc(Br)c1Br 2295299933 WQQXLFWOSUBGIB-AWEZNQCLSA-N 463.007 6.321 50 10 JKGE Cc1c(Br)cc(-c2nc3cc(NC(=O)CCl)ccc3o2)cc1Br 2295306747 UUCQQZUVMTVOCF-UHFFFAOYSA-N 458.537 5.506 50 10 JKGE CCOC(=O)c1c(-c2ccc(OC)cc2)csc1NC(=O)C(C#N)=Cc1ccc(C(C)C)cc1 2296500348 JDQRTVPOILHDHE-UHFFFAOYSA-N 474.582 6.269 50 10 JKGE COc1cc(C=C(C#N)c2nc(-c3ccc4c(c3)OCO4)cs2)ccc1OCC(=O)c1ccccc1 2296789916 BKLJFFFBASQLOB-UHFFFAOYSA-N 496.544 5.873 50 10 JKGE CCOC(=O)C(C#N)=C1S[C@H](Cc2cccc(Cl)c2)C(=O)N1c1ccc(Br)cc1 2296835077 VGWIQMDQZYYGSL-GOSISDBHSA-N 491.794 5.092 50 10 JKGE Fc1c(Br)cc(Cl)c([C@@H](Cl)C2(Br)CCC2)c1Br 2300170565 NWWHRWMYIBOHBO-SNVBAGLBSA-N 469.801 6.602 50 10 JKGE COc1cc(C=C(C#N)C(=O)Nc2ccc(C)cc2)ccc1OCc1ccc(Br)cc1 2313511209 UMXSUSHRDQMKAK-UHFFFAOYSA-N 477.358 5.891 50 10 JKGE N#CC(=Cc1ccc([N+](=O)[O-])c(C2CCCCC2)c1Cl)c1nc(C#N)c(N)n1-c1ccccc1 2313511440 UBXBNKCMLBXHPK-UHFFFAOYSA-N 472.936 6.000 50 10 JKGE Cc1ccc(NC(=O)C(C#N)=Cc2cccc(OCc3ccc(Cl)cc3Cl)c2)cc1C 2313671134 HZEZWZTUQYXSOY-UHFFFAOYSA-N 451.353 6.735 50 10 JKGE CCn1cc(Br)c([C@H](Cl)c2cc(Br)ccc2OCc2ccccc2)n1 2314446547 UNFIDWPLJZDYNR-GOSISDBHSA-N 484.619 6.335 50 10 JKGE Fc1cccc(C[C@H](Br)c2cc(Br)ccc2OCc2ccccc2)c1 2314450161 WOYVSJYIRPIBON-FQEVSTJZSA-N 464.172 6.846 50 10 JKGE Brc1ccc(OCc2ccccc2)c([C@@H](Br)CCC2CCCCC2)c1 2314450210 XIIRPRLMHKJZJK-NRFANRHFSA-N 466.257 7.825 50 10 JKGE N#CC(=Cc1ccc(N2N=C(c3ccccc3)C[C@H]2c2ccccc2)cc1)c1nc(O)c2ccccc2n1 2314482632 QHXHXSUSLBEMLG-PMERELPUSA-N 493.570 6.755 50 10 JKGE CCOC(=O)c1c(NC(=O)C(C#N)=Cc2ccc(-c3ccc(F)cc3)o2)sc2c1CC[C@H](CC)C2 2314571724 KWVAIKGJALHKOJ-INIZCTEOSA-N 492.572 6.384 50 10 JKGE CCCCCCOc1ccc(C=C2C(=O)N(CCCCCC)C(=O)C(C#N)=C2C)cc1OC 2314611038 OXJQJRUDNANWTH-UHFFFAOYSA-N 452.595 5.827 50 10 JKGE C=CCN1C(=O)C(=Cc2cn(-c3ccccc3)nc2-c2ccc3ccccc3c2)C(C)=C(C#N)C1=O 2314616730 ILIUMAVDRUSMET-UHFFFAOYSA-N 470.532 5.471 50 10 JKGE C[C@]12C[C@H](C1)[C@H]([C@H](Br)c1cc(Br)ccc1OCc1ccccc1)CO2 2315929252 FLHLOWYVDQWICE-SKBHOOIQSA-N 466.213 6.279 50 10 JKGE CCCc1sc(Br)cc1[C@H](Br)c1scc(Br)c1C 2316173085 JCEXNTXAOOVUAV-LBPRGKRZSA-N 473.093 7.080 50 10 JKGE COc1cccc(C(=O)NN=Cc2ccc(OCc3ccc(Cl)cc3Cl)c(OC)c2)c1 2322948993 JANOKWODSHTESO-UHFFFAOYSA-N 459.329 5.354 50 10 JKGE Cc1cc(I)ccc1NC(=O)C(C#N)=CNc1ccc(N2CCCCC2)cc1 2325406530 YMEYWRGRCZINCZ-UHFFFAOYSA-N 486.357 5.048 50 10 JKGE COc1ccc(-c2csc(C(C#N)=C(O)c3ccc4c(c3)C(=O)N(c3ccc(F)cc3)C4=O)n2)cc1 2331276285 DDSNFGXXZOJNNU-UHFFFAOYSA-N 497.507 5.708 50 10 JKGE CCc1cccc(CC)c1N1C[C@@H](C(O)=C(C#N)c2nc(-c3ccc(Cl)cc3)cs2)CC1=O 2331299300 RVYZJSFTOCHDED-IBGZPJMESA-N 478.017 6.434 50 10 JKGE CC(C)[C@H](C(O)=C(C#N)c1nc(-c2cc(Cl)ccc2Cl)cs1)N1C(=O)c2ccccc2C1=O 2331403843 JEFGONPNROHJSW-HXUWFJFHSA-N 498.391 6.230 50 10 JKGE CC(C)c1ccc(O[C@@H](C)C(O)=C(C#N)c2nc(-c3cc(Cl)ccc3Cl)cs2)cc1 2331404564 QGCXNRWTLUMSEM-AWEZNQCLSA-N 459.398 7.500 50 10 JKGE COc1ccc(-c2csc(C(C#N)=C(O)Cc3ccc(Br)cc3)n2)c(OC)c1OC 2331411709 DZVQLJHZAWLXLP-UHFFFAOYSA-N 487.375 5.634 50 10 JKGE CCN(Cc1ccccc1)c1ccc(C=C(C#N)c2nc(-c3ccc([N+](=O)[O-])cc3)cs2)cc1 2331434263 MNOCVZVZLVATAW-UHFFFAOYSA-N 466.566 6.809 50 10 JKGE COc1cc(C=C(C#N)c2nc(-c3cccc4ccccc34)cs2)ccc1OCCN1CCOCC1 2331456440 MZVJDQHIAWHYOT-UHFFFAOYSA-N 497.620 5.747 50 10 JKGE CC(C)(C)OC(=O)N1CCC[C@@](CI)(OC[C@@H]2C[C@H]3CCC[C@H]2CC3)C1 2338901035 WEJJIIAJIHUQBM-NTLWEQJWSA-N 477.427 5.424 50 10 JKGE CCc1cc(Br)c(OC)c([C@@H](Br)c2ccc(Br)o2)c1 2353039227 DVAZAFQSDZOBLF-CYBMUJFWSA-N 452.968 5.860 50 10 JKGE Cc1cc(Br)c(C)c([C@@H](Br)[C@H]2CC[C@@H]3C[C@H]2CO3)c1Br 2359120117 JMNLAQUIYVUKAG-BUWBCJGYSA-N 467.039 6.080 50 10 JKGE Fc1cccc(Cl)c1[C@@H](Br)c1c(F)cc(Cl)c(Br)c1Cl 2360494860 XJJGDTMCCXAHSF-GFCCVEGCSA-N 465.346 7.172 50 10 JKGE O=C(c1scc(Br)c1Br)N1CC[C@H](Br)C[C@H]1C(F)(F)F 2361454395 ILZBGXPVFVQWPK-FSPLSTOPSA-N 499.972 5.204 50 10 JKGE CCN(C[C@](C)(CI)OCc1ccc(F)cc1C1CC1)C(=O)OC(C)(C)C 2364651398 USOCFYDKUINMRC-NRFANRHFSA-N 491.385 5.670 50 10 JKGE CC(C)(C)[C@@H]1CC[C@H]1CO[C@H](CI)c1cccc(Br)c1 2369175033 FZSBTXRPJPWCID-NUEKZKHPSA-N 451.186 6.014 50 10 JKGE C[C@]1(NC(=O)c2csc(Br)c2Br)C[C@H]2CC[C@H]1C[C@@H]2Br 2380909767 LIKCGGBKONSCEH-FTLVTPIGSA-N 486.067 5.345 50 10 JKGE COc1ccc(C=NNC(=O)c2cc(-c3ccc(C)cc3C)nc3ccccc23)cc1COC(C)=O 15985944 OCUZJZTUDNDWAJ-UHFFFAOYSA-N 481.552 5.354 50 10 JKGE CCSc1sccc1[C@H]1C(C#N)=C(N)N(c2ccc(Cl)c([N+](=O)[O-])c2)C2=C1C(=O)CCC2 27550447 XAPLFXBNLYSTRX-IBGZPJMESA-N 487.006 5.726 50 10 JKGE CC(C)(C)c1ccc(OCC(=O)NNC(=O)/C=C\c2cccc3ccccc23)c(Br)c1 33561834 ZKXUWTVXFBJMAG-KAMYIIQDSA-N 481.390 5.139 50 10 JKGE Cc1cc([N+](=O)[O-])ccc1NC(=O)/C(C#N)=C\c1ccc(OCc2cccc3ccccc23)cc1 33929952 XPXZFMUZAPWFHI-KQWNVCNZSA-N 463.493 6.181 50 10 JKGE CCCCOc1ccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4ccc(OCC)cc4)ccc32)cc1 38650797 WWXGNZTXWLLWMT-HHHXNRCGSA-N 484.552 5.702 50 10 JKGE C=CCOc1ccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4ccccc4OCCC)ccc32)cc1 38658261 WWYKDGHHIPMNDL-HHHXNRCGSA-N 482.536 5.478 50 10 JKGE CCc1ccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)[C@H](C)Oc4ccc(C(C)C)cc4)ccc32)cc1 38677565 IXSGOCBCKVRDCG-HMILPKGGSA-N 482.580 5.963 50 10 JKGE CCCOc1cccc(C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@@H]3c2c(Cl)cccc2Cl)c1 38679922 TYTGQFHLNFKOMF-HSZRJFAPSA-N 495.362 6.220 50 10 JKGE N#CC1=C(N)Oc2cc(OC(=O)c3ccc(F)cc3)ccc2[C@@H]1c1cccc(OCc2ccccc2)c1 38686524 DCTFUYMZOAKVPF-NDEPHWFRSA-N 492.506 5.842 50 10 JKGE Cc1ccc(Nc2ncnc(NNC(=O)C(c3ccccc3)c3ccccc3)c2[N+](=O)[O-])cc1C 40590191 DXRWHDLKOZNXBL-UHFFFAOYSA-N 468.517 5.020 50 10 JKGE Cc1c(C(=O)Nc2ccccc2F)oc2c1/C(=N/NC(=O)c1ccc(Br)cc1)CCC2 40811747 VVVIKQFKVYZQBM-OVVQPSECSA-N 484.325 5.212 50 10 JKGE CCCCOc1ccc(/C=N/NC(=O)Nc2sc3c(c2C(=O)OCC)CCCC3)cc1OC 40846969 PACBDUVADZLMOS-MFKUBSTISA-N 473.595 5.147 50 10 JKGE CCOC(=O)/C(C#N)=C/c1cccc(OC(=O)/C=C/c2ccc(OCc3ccccc3)cc2)c1 40926950 DRFWTVBYPUYCJR-PLJQUDPYSA-N 453.494 5.354 50 10 JKGE C=CCOc1c(Cl)cc(/C=N/NC(=O)c2ccc(-n3c(C)ccc3-c3ccccc3)cc2)cc1OC 59303980 OTQCYOIUUYQPSH-ZCTHSVRISA-N 499.998 6.443 50 10 JKGE COc1ccc2c(c1)CCc1c-2noc1-c1ccc(NC(=O)c2cccc(C(Cl)Cl)c2)cc1 102965890 SLPLKOISGAFBDH-UHFFFAOYSA-N 479.363 6.844 50 10 JKGE Brc1cc([C@H](Br)[C@@H]2CCOc3ccccc32)c(Br)s1 104194004 GQRYZZCNULRFMZ-NOZJJQNGSA-N 467.020 6.275 50 10 JKGE COc1ccc([C@H](Cl)c2cc(Br)sc2Br)cc1Br 109825158 YRQIFRZPFVCAGM-NSHDSACASA-N 475.427 6.372 50 10 JKGE Brc1ccc(Br)c([C@H](Br)C23CC4CC(CC(C4)C2)C3)c1 109844963 YHANNLLCNVMTOJ-QDIKRATPSA-N 463.051 6.864 50 10 JKGE COc1ccccc1C[C@@H](Br)c1cc(Br)sc1Br 109870092 MXHJRUNPDQOVFF-SNVBAGLBSA-N 455.009 5.960 50 10 JKGE Cc1sc(Br)cc1[C@H](Br)c1cc(Br)ccc1Cl 115223283 ALVUYMGRQRXNLC-LBPRGKRZSA-N 459.428 6.719 50 10 JKGE Clc1cc(Br)ccc1[C@@H](Cl)c1cc(Br)c(Br)s1 128092417 GLRBJWNNXUJXPX-SNVBAGLBSA-N 479.846 7.017 50 10 JKGE COc1c(C)cc(Br)c(C)c1[C@@H](Cl)c1cc(Br)ccc1Br 161122032 KZSJNLJSOIRRCJ-HNNXBMFYSA-N 497.452 6.928 50 10 JKGE Fc1ccc([C@H](Br)c2cc(Br)c(Cl)s2)cc1C(F)(F)F 227848595 PWWPAZFLTQIYLV-JTQLQIEISA-N 452.492 6.806 50 10 JKGE COc1cccc(C[C@@H](Br)c2cc(I)ccc2Br)c1 235003419 BZMRKQWFNCYYRK-OAHLLOKOSA-N 495.980 5.741 50 10 JKGE Fc1c(Br)cccc1[C@H](Br)c1cc(Cl)c(Br)s1 236128425 WDHHXBUUAVHTAH-VIFPVBQESA-N 463.391 6.550 50 10 JKGE CCn1c2ccccc2c2cc(C=NNC(=O)c3cccc(I)c3)ccc21 252462326 ROOLXXMICQXQPP-UHFFFAOYSA-N 467.310 5.183 50 10 JKGE COc1cc([C@H](Cl)c2sccc2I)c(OC)cc1Br 311408488 HXOCWTLHSXNACD-LBPRGKRZSA-N 473.557 5.461 50 10 JKGE Fc1cc2nc(CCCl)n(C[C@H]3CCN(Cc4ccccc4)C3)c2cc1Br 312654484 LIIMSMUNHDXHHK-INIZCTEOSA-N 450.783 5.241 50 10 JKGE C[C@@H]1CCC[C@H](CC(CBr)(CBr)c2cccc(Br)c2)C1 383793808 XDIFKOQYMLGQPP-KGLIPLIRSA-N 467.083 6.693 50 10 JKGE Fc1cc(Br)c([C@H](Br)c2ccccc2Br)c(F)c1F 398646553 ACBFRRAKHQBDIL-LLVKDONJSA-N 458.897 6.113 50 10 JKGE CC(C)(C)OC(=O)NCCN1CCCO[C@H](c2cccc(CCO[Si](C)(C)C(C)(C)C)c2)C1 616678590 KDLZTGJMIKIJSA-QHCPKHFHSA-N 478.750 5.539 50 10 JKGE Cc1cc([C@H](Br)c2scc(Br)c2Br)cc(C)c1F 705422207 AIBLLFQXAIZRJT-JTQLQIEISA-N 457.000 6.513 50 10 JKGE C[C@@H]1Cc2cc(Br)cc([C@@H](Br)c3ccsc3Br)c2O1 720046262 VXZTYKPGNGBCSY-KRTXAFLBSA-N 467.020 6.081 50 10 JKGE Cl[C@H](c1ccc(I)c(Br)c1)c1sccc1Br 721585222 FXBSGSIDXNPAAY-SNVBAGLBSA-N 492.401 6.206 50 10 JKGE Cc1cc(C=NNC(=O)c2cc3ccccc3o2)c(C)n1-c1ccc(OCc2ccccc2C#N)cc1 1083988480 FUTWYDGHJFNGPL-UHFFFAOYSA-N 488.547 6.055 50 10 JKGE Cc1ccc(COc2c(Cl)cc(C=NNC(=O)c3cc4ccccc4o3)cc2Cl)cc1 1084363949 DUBFTNXBGDASOR-UHFFFAOYSA-N 453.325 6.391 50 10 JKGE Cc1ccc(-n2c(C)cc(C=NNC(=O)CSCc3ccccc3Br)c2C)cc1 1084499423 RXIDMGURDGTVEZ-UHFFFAOYSA-N 470.436 5.549 50 10 JKGE CCOc1cc(C=NNC(=O)c2ccccc2)cc(Br)c1OCc1ccccc1F 1084647555 XVFDUBATSWWWDW-UHFFFAOYSA-N 471.326 5.330 50 10 JKGE CN(C)c1ccc([C@@H]2C(C#N)=C3Sc4ccccc4N3C(N)=C2C(=O)c2ccccc2)cc1 1088719426 GOPNRDHWEBQZII-HSZRJFAPSA-N 450.567 5.250 50 10 JKGE Cc1c(C(=O)Nc2cccc(Cl)c2Cl)oc2c1C(=NNC(=O)c1cccnc1)CCC2 1772746285 TWOAVERLWQHHNJ-UHFFFAOYSA-N 457.317 5.013 50 10 JKGE Cc1cc(C)cc(OC(=O)c2oc3c(c2C)C(=NNC(=O)c2cccc(Cl)c2)CCC3)c1 1772746465 VIRMZKLYMFSEHM-UHFFFAOYSA-N 450.922 5.548 50 10 JKGE Cc1c(C(=O)NN(c2ccccc2)c2ccccc2)oc2c1C(=NNC(=O)c1cccs1)CCC2 1772748525 DRKLNIOGEPLDKG-UHFFFAOYSA-N 484.581 5.603 50 10 JKGE N#CSc1ccc(NC(=O)Oc2cccc3c(NC(=O)/C=C/c4ccco4)cccc23)cc1 1858777965 PWNKZBBXOWSDLV-SDNWHVSQSA-N 455.495 6.269 50 10 JKGE CCc1nn(-c2ccc(Cl)c(Cl)c2)c2c1[C@@H](c1ccc(Cl)cc1Cl)C(C#N)=C(N)O2 1865685965 OVFMHNOPFPJJAX-SFHVURJKSA-N 480.182 6.266 50 10 JKGE CCCCCOc1ccc([C@H]2C(C#N)=C(N)Oc3c2c(CCC)nn3-c2ccc(OC)cc2)cc1 1865690363 PHRSOBMXOKOWFK-VWLOTQADSA-N 472.589 5.621 50 10 JKGE CCCCOc1ccc([C@@H]2C(C#N)=C(N)Oc3c2c(C)nn3Cc2ccc(Cl)c(Cl)c2)cc1 1865691876 DBPBWRQJKSZCAH-HSZRJFAPSA-N 483.399 5.944 50 10 JKGE CCCOc1cccc([C@@H]2C(C#N)=C(N)Oc3c2c(-c2ccccc2)nn3Cc2ccccc2)c1 1865692918 GQYXZVNOCXJMER-RUZDIDTESA-N 462.553 5.605 50 10 JKGE CCn1nc(C(F)(F)F)c2c1OC(N)=C(C#N)[C@H]2c1ccc(OCc2ccccc2C)cc1 1865702839 GJUWQFCILXJROC-LJQANCHMSA-N 454.452 5.027 50 10 JKGE Cc1ccc(-n2nc(C)c3c2OC(N)=C(C#N)[C@@H]3c2ccccc2OCc2ccccc2Cl)cc1 1865703385 UYCLLKJAQJGBHJ-SANMLTNESA-N 482.971 5.940 50 10 JKGE CCC[C@@H](NC(=O)C[C@@H](c1ccc(C(C)C)cc1)C(C)C)C(=O)Nc1ccc(SC#N)cc1 1866738201 FCXNJVAMWILGLH-JWQCQUIFSA-N 465.663 6.436 50 10 JKGE CCOc1ccc(-c2nc(Nc3ccc(SC#N)cc3)cc(N3CC(C)(C)c4ccccc43)n2)cc1 1868528624 XFWPQPIXAZSTPZ-UHFFFAOYSA-N 493.636 7.288 50 10 JKGE COc1ccc(-c2csc(/C(C#N)=C(\O)Cc3ccc(OCc4ccccc4)cc3)n2)cc1OC 1872745467 OCAGCPKTYLZUEF-BZZOAKBMSA-N 484.577 6.442 50 10 JKGE COc1ccc(/C=C(C(/O)=C(\C#N)c2nc(-c3ccccc3OC)cs2)\c2ccccc2)cc1 1872746849 BMFKBWRSLBXDPZ-LFFFHQOQSA-N 466.562 6.861 50 10 JKGE CC[C@@H](C)[C@H](/C(O)=C(\C#N)c1nc(-c2ccc3c(c2)OCO3)cs1)N1C(=O)c2ccccc2C1=O 1872752747 QJOKYFZJCBZVGG-WWZKGXQDSA-N 487.537 5.042 50 10 JKGE COc1cc(C)c(-c2csc(/C(C#N)=C(\O)COc3cc(Cl)ccc3Cl)n2)cc1C(C)C 1872753937 VJIGPXUVHOGZJQ-UZYVYHOESA-N 489.424 7.429 50 10 JKGE COc1cc(Cl)c(C)cc1-c1csc(/C(C#N)=C(\O)[C@H](C)N2C(=O)c3ccccc3C2=O)n1 1872755440 NICUOMHUUVGFCQ-ZCBJIMFGSA-N 479.945 5.258 50 10 JKGE COc1cc(OC)c(OC)cc1/C=C(\C#N)c1nc(-c2cc(Cl)cc(Cl)c2OC)cs1 1872792956 ZXGBSHQFAHDQBP-WLRTZDKTSA-N 477.369 6.215 50 10 JKGE COc1cc(/C=C(\C#N)c2nc(-c3c(C)cc(C)cc3C)cs2)ccc1OCCCc1ccccc1 1872794044 HLZLKURPOCXDSB-YZSQISJMSA-N 494.660 7.820 50 10 JKGE CCc1ccc(OCCC/C(O)=C(\C#N)c2nc(-c3ccc(-c4ccccc4)cc3)cs2)cc1 1873940968 PSPPWOSDYWZUFG-SGEDCAFJSA-N 466.606 7.691 50 10 JKGE CC(C)(C)OC(=O)N[C@H](CBr)[C@@H]1CC[C@@H]2CCCN(C(=O)OC(C)(C)C)[C@@H]2C1 1885098109 WJEMGHGRMQTLCV-YLFCFFPRSA-N 461.441 5.090 50 10 JKGE F[C@H]([C@@H](Br)c1ccc(OCc2ccccc2)cc1Br)C(F)(F)F 1899853368 SZNWNRXFSODQGL-LSDHHAIUSA-N 456.071 6.365 50 10 JKGE Cc1nsc(Br)c1[C@@H](Br)c1cc(Br)cc2c1OCCC2 1912932188 MHILQUHXTZLCFV-LBPRGKRZSA-N 482.035 5.786 50 10 JKGE CC(C)[C@@H](CBr)N(Cc1ccccc1)C(=O)c1cccc(OCc2ccccc2)c1 1915259292 JUJZUSXYVLLZOB-RUZDIDTESA-N 466.419 6.328 50 10 JKGE FC(F)(F)c1ccc([C@H](Cl)c2sc(Br)cc2Br)cc1Cl 1922885524 PPBSGCXWXBYUBO-JTQLQIEISA-N 468.947 7.274 50 10 JKGE Clc1ccc([C@@H](Br)c2sc(Br)cc2Br)s1 1922921972 WXAAHLGHVSSVGA-MRVPVSSYSA-N 451.430 6.472 50 10 JKGE Fc1ccc(C[C@H](Br)c2c(Br)sc(Br)c2Cl)cc1F 1923068242 OSWMZZLSGFPXNS-LURJTMIESA-N 495.408 6.883 50 10 JKGE C[C@@H]1COCC[C@@H]1[C@H](Br)c1c(Br)sc(Br)c1Cl 1923070761 DLCCIRQKCCIESN-CHKWXVPMSA-N 467.448 6.035 50 10 JKGE CC1(C)C[C@H]([C@@H](Br)c2c(Cl)sc(Br)c2Cl)C(C)(C)O1 1925560344 GFZZORFKHGGQAU-HTRCEHHLSA-N 451.051 6.847 50 10 JKGE COCC1([C@@H](Br)c2cc(Br)sc2Br)CCCCC1 2033178752 CVHJWTBDAJASBF-NSHDSACASA-N 461.057 6.306 50 10 JKGE CC12CC([C@@H](Br)c3c(Br)sc(Br)c3Cl)(CCO1)C2 2046403134 JIZIJSFALCGZDV-RKWZHAFESA-N 479.459 6.322 50 10 JKGE Cl[C@H](C[C@@H]1CCC[C@H]2C[C@@H]12)c1c(Br)sc(Br)c1Br 2057346068 MANJNMNHAPHPQW-RBXMUDONSA-N 477.487 7.142 50 10 JKGE C[C@@H](NCCSSCCNC(=O)OC(C)(C)C)c1ccc(Br)cc1F 2061264203 NABVFTVLEXMBPT-GFCCVEGCSA-N 453.443 5.145 50 10 JKGE C[C@H]1Cc2cc([C@@H](Br)c3nscc3Br)cc(Br)c2O1 2090470557 PBSSHKZVQUENHN-UPONEAKYSA-N 468.008 5.476 50 10 JKGE Clc1csc([C@H](Br)c2cc(I)cc3c2OCC3)c1Cl 2096220165 DQHYSNAFBYMMPR-SNVBAGLBSA-N 489.987 6.079 50 10 JKGE C[C@]12CN(Cc3ccccc3)C[C@@H]1CN(c1c(CCl)ccc(Br)c1Cl)C2 2098114980 XKIROBNJFJYROB-DYESRHJHSA-N 454.239 5.800 50 10 JKGE C[C@H](Cl)c1nc2cc(I)ccc2n1[C@]12C[C@H]1CN(Cc1ccccc1)C2 2099677764 CEXQOEGTKDACGL-HTZUNMPGSA-N 477.777 5.172 50 10 JKGE Cc1c([C@H](Br)c2cc(Cl)c(Br)cc2F)nn(C)c1Br 2111926065 GPLOVKLOJBFBIF-SNVBAGLBSA-N 475.381 5.530 50 10 JKGE COc1ccc([C@H](Br)c2cc(I)ccc2F)c(Cl)c1 2113358456 QVPMQRUCDKXEBC-AWEZNQCLSA-N 455.492 5.577 50 10 JKGE CC1(C)[C@H]2CC[C@@H](C2)[C@@H]1[C@@H](Br)c1ccc(Br)cc1Br 2138867470 RTPMTHDJRYBKNI-MISXLKTNSA-N 451.040 6.720 50 10 JKGE COc1cc(Br)c(C)cc1[C@@H](Br)c1cc(Cl)ccc1Br 2145959578 YMWZZVVVCBDGSE-HNNXBMFYSA-N 483.425 6.666 50 10 JKGE CC1(C)C[C@@H](n2c(CCl)nc3cc(I)ccc32)CN(Cc2ccccc2)C1 2146362261 AGSRHLZHJOPXHR-GOSISDBHSA-N 493.820 5.853 50 10 JKGE Cc1c(Br)cccc1[C@H](Br)c1cc(Br)c2c(c1)CCO2 2146628308 NLVINQMQSXTGMR-OAHLLOKOSA-N 460.991 5.939 50 10 JKGE C[C@@H](Cl)c1nc2cc(I)ccc2n1Cc1cscc1Br 2154091578 ZMGDBJOMQKIFFS-MRVPVSSYSA-N 481.584 5.813 50 10 JKGE ClCc1ccc(Br)c(Cl)c1Oc1cc(Cl)c(Br)cc1Cl 2154358510 KGEYQLXMLUTBCG-UHFFFAOYSA-N 479.810 7.703 50 10 JKGE CN([C@H]1CC(C)(C)[C@H]1OCc1ccccc1)S(=O)(=O)c1cc(CCl)sc1Br 2156442852 OSXXSDOXOUBCII-RDJZCZTQSA-N 492.888 5.254 50 10 JKGE Fc1cc2c(cc1I)nc(CCl)n2[C@@H]1CCCCN(Cc2ccccc2)C1 2158572630 MMVIMJBLIDOBJR-MRXNPFEDSA-N 497.783 5.746 50 10 JKGE C[C@@H](Cl)c1nc2cc(Cl)c(Br)cc2n1Cc1nccn1Cc1ccccc1 2169011106 ORSXTUBBAVTWIN-CYBMUJFWSA-N 464.194 6.045 50 10 JKGE Fc1ccc(I)cc1[C@H](Cl)c1scc(C(F)(F)F)c1Br 2169668202 NHRCRCVCNZFZLT-JTQLQIEISA-N 499.492 6.601 50 10 JKGE Cc1cc(S(=O)(=O)N(Cc2ccccc2)[C@@H](C)C(C)(C)C)cc(CBr)c1F 2179860992 AFZZBAMGADNRRC-INIZCTEOSA-N 456.421 5.655 50 10 JKGE FC(F)[C@@H]1CN(Cc2ccccc2)C[C@H]1n1c(CCl)nc2cc(Br)ccc21 2193241495 DFMPJGLMJGRGIJ-CRAIPNDOSA-N 454.746 5.476 50 10 JKGE COc1cc(Br)c([C@H](Br)[C@H]2C[C@H](Br)C2)c(OC)c1OC 2196880678 MKTCEPNPKQKGSV-DNSOKLHBSA-N 472.999 5.084 50 10 JKGE Fc1cc(Br)c([C@H](Cl)c2cccc(Br)c2Cl)c(F)c1Cl 2201610705 JJKUJRCSFPYPBD-LLVKDONJSA-N 465.346 7.125 50 10 JKGE Cc1cccc(Br)c1[C@H](Br)c1c(Br)cc(F)c(Cl)c1F 2201619590 RWCPAFZLSLMXIZ-LBPRGKRZSA-N 489.379 6.936 50 10 JKGE C[C@@H]1CC[C@@H](C(C)(C)Cc2ccc(I)c(Cl)c2)[C@@H](Br)C1 2208031781 CUOQYZFOVFUEBQ-BNOWGMLFSA-N 469.632 6.713 50 10 JKGE Cc1cc(Br)sc1[C@@H](Br)c1cc(C)c(Br)c(C)c1 2220198536 KMTRLIWZVYDIRT-ZDUSSCGKSA-N 453.037 6.683 50 10 JKGE Cc1sc([C@@H](Br)c2csc3c(Br)cccc23)cc1Br 2226081766 HONZGAXYPOWPOX-ZDUSSCGKSA-N 481.072 7.281 50 10 JKGE CC(C)(C)OC(=O)N1CCC[C@@](CI)(OC2C3CC4CC(C3)CC2C4)C1 2230445201 MAFJUQDITICMBV-WGRMAXNNSA-N 475.411 5.032 50 10 JKGE COc1cc(F)ccc1[C@@H](Br)c1cc(Br)c(Br)cc1F 2233981161 FEQLTZWSBUQVNK-CQSZACIVSA-N 470.933 5.983 50 10 JKGE Cc1cc(Br)c([C@H](Cl)Cc2ccc(Br)cc2Cl)cc1Cl 2237440891 UULUDVCKXSFVBD-OAHLLOKOSA-N 457.420 7.349 50 10 JKGE Clc1cc(Br)ccc1C[C@@H](Br)c1cc2c(s1)CCSC2 2237452083 ABIXKBGHBRVAIB-GFCCVEGCSA-N 452.664 6.632 50 10 JKGE Cl[C@H](c1ccc([C@@H]2CCOC2)s1)c1ccc(Br)cc1I 2240425699 BSJYYXMDVAZLFV-PSLIRLAXSA-N 483.596 5.947 50 10 JKGE Brc1cccc([C@@H](CI)O[C@@H]2CCN(Cc3ccccc3)C2)c1 2244803291 YGZFMLQAQCVQNI-RTBURBONSA-N 486.191 5.216 50 10 JKGE Fc1cccc(I)c1[C@H](Br)Cc1c(Cl)cccc1Cl 2267649412 CIFQLTFUTRRQKY-SECBINFHSA-N 473.938 6.416 50 10 JKGE COc1ccc([C@H](Br)Cc2ccc(Br)cc2)cc1I 2269557098 SMZMJRNPZFLCDY-CYBMUJFWSA-N 495.980 5.741 50 10 JKGE COc1cc(C)c(Br)c(C)c1[C@H](Cl)c1sccc1I 2269605257 ROFKMXBUKSMCNT-ZDUSSCGKSA-N 471.585 6.069 50 10 JKGE Brc1cc(Br)cc(C[C@H](Br)[C@@H]2C[C@@H]2C2CCCC2)c1 2277952671 HZISKRWPWGCANH-OAGGEKHMSA-N 451.040 6.344 50 10 JKGE C=CC[C@@]1(CBr)CCCCN1C(=O)c1csc(Br)c1Br 2287758839 VHIZJOCAZGHTBT-AWEZNQCLSA-N 486.067 5.609 50 10 JKGE CC[C@@H](C)c1ccc(OCCn2c(C)c(C=C(C#N)c3ccc([N+](=O)[O-])cc3)c3ccccc32)cc1 2293202023 OBVFCKHQJNOWAT-OAQYLSRUSA-N 479.580 7.515 50 10 JKGE CCCCc1ccc(NC(=O)C(C#N)=Cc2ccc(OC(=O)c3ccccc3Cl)c(OC)c2)cc1 2295669877 DKMWOQAAUXBHIN-UHFFFAOYSA-N 488.971 6.456 50 10 JKGE COc1cc(NC=C(C#N)c2nc(-c3ccc(Cl)c(Cl)c3)cs2)c(C(C)=O)cc1OC 2295948518 CHQMKBWTMYLRLJ-UHFFFAOYSA-N 474.369 6.313 50 10 JKGE N#CC(=Cc1ccc(-c2ccc(Br)cc2)o1)C(=O)Nc1cc(C(F)(F)F)ccc1Cl 2296819214 YRZXKBKJRXJCMS-UHFFFAOYSA-N 495.682 6.927 50 10 JKGE CO[C@@H]1CC[C@H]([C@@H](Br)c2cc(Br)ccc2OCc2ccccc2)C1 2299489778 SHGCIKLLUAHWEB-XAUMDUMWSA-N 454.202 6.279 50 10 JKGE COc1ccsc1[C@H](Br)c1ccc(OCc2ccccc2)cc1Br 2299493007 FCDXWBKVSKAJID-GOSISDBHSA-N 468.210 6.583 50 10 JKGE Cl[C@@H](c1ccccc1Br)c1ccc(OCc2ccccc2)cc1Br 2299501487 OOFNAIZARJFIEO-FQEVSTJZSA-N 466.600 7.119 50 10 JKGE Cc1c(Cl)cccc1-n1c(C)cc(C=C(C#N)C(=O)N2CCN(c3ccccc3)CC2)c1C 2313566779 AATAQDYESZLIOE-UHFFFAOYSA-N 458.993 5.312 50 10 JKGE C=CCc1cc(C=C(C#N)C(=O)N2CCN(c3ccccc3)CC2)ccc1OCc1cccc(F)c1 2313567083 FWFBZDLCUCAXHM-UHFFFAOYSA-N 481.571 5.389 50 10 JKGE CCOc1cc(C=C(C#N)C(=O)Nc2ccc(C)c(C)c2)ccc1OCc1ccc(Cl)cc1Cl 2313670497 AXEMLAGBVKMTLK-UHFFFAOYSA-N 495.406 7.134 50 10 JKGE Cc1ccc(COc2ccc(Br)cc2C=C(C#N)C(=O)Nc2cccc(Cl)c2C)cc1 2313738677 OBQYCLYRCCGTFC-UHFFFAOYSA-N 495.804 6.844 50 10 JKGE N#CC(=C(O)c1ccc(-c2ccc(Cl)cc2Cl)o1)c1nc(-c2ccc(Cl)cc2)cs1 2314457445 KLBVFXFDODCUQC-UHFFFAOYSA-N 473.768 7.980 50 10 JKGE CCOc1ccc(-c2nn(-c3ccccc3)cc2C=C2C(=O)N([C@@H](C)CC)C(=O)C(C#N)=C2C)c(C)c1 2314610012 BWSOMKISMLLOSZ-FQEVSTJZSA-N 494.595 5.637 50 10 JKGE CC(=O)c1ccc(-c2ccc(C=C3C(=O)N(Cc4ccc(C)cc4)C(=O)C(C#N)=C3C)o2)cc1 2314616531 CWLOZHUPVVXOCK-UHFFFAOYSA-N 450.494 5.250 50 10 JKGE CC1([C@@H](Br)c2sc(Cl)cc2I)CCCCCCC1 2316780927 VJKIOSLJRFGAJU-ZDUSSCGKSA-N 461.634 7.193 50 10 JKGE COc1ccc(Cl)cc1NC(=O)C(C#N)=CNc1ccc(-c2nc3ccc(C)cc3s2)cc1 2318455660 YKNKXPJLSKOGRP-UHFFFAOYSA-N 474.973 6.392 50 10 JKGE COc1ccc(C(C#N)=Cc2ccc(OC(=O)COc3ccc(Cl)cc3Cl)c(OC)c2)cc1 2320506636 NVBDKYURVHNONW-UHFFFAOYSA-N 484.335 6.059 50 10 JKGE CC(=O)N1CCc2cc(C(C)=NNC(=O)c3ccc(-c4ccc(Cl)c(Cl)c4)nc3C)ccc21 2321281109 HFEJWSKELZTPAC-UHFFFAOYSA-N 481.383 5.427 50 10 JKGE CCCCCOc1ccc(C=NNC(=O)c2ccc3nc(SC(C)C)[nH]c3c2)cc1OC 2323607302 BUHKEIXGMKTJTH-UHFFFAOYSA-N 454.596 5.405 50 10 JKGE CCN(Cc1ccc(I)c(Br)c1)[C@@H]1CCC[C@H]1Br 2325210715 AYJWARRWWJOKTJ-BXUZGUMPSA-N 487.017 5.192 50 10 JKGE COc1ccc(-c2csc(C(C#N)=C(O)c3c(Cl)ccc(Cl)c3OC)n2)cc1F 2331336112 ODDMGIAAWJBDLK-UHFFFAOYSA-N 451.306 6.223 50 10 JKGE CCCCCCOc1ccc(C(O)=C(C#N)c2nc(-c3ccc(OC)c(F)c3)cs2)cc1 2331336806 AOJWWDRTKNXPHO-UHFFFAOYSA-N 452.551 6.867 50 10 JKGE COc1c(Cl)cc(Cl)cc1-c1csc(C(C#N)=C(O)c2ccc(F)c(F)c2F)n1 2331364035 GSBYJDXPIRXRRH-UHFFFAOYSA-N 457.260 6.493 50 10 JKGE Cc1ccc(C(C)(C)C)cc1-c1csc(C(C#N)=C(O)c2ccc3nc(C)c(C)nc3c2)n1 2331397218 WTCQCNVWUJTCGV-UHFFFAOYSA-N 454.599 6.926 50 10 JKGE Cc1ccc(C(C)(C)C)cc1-c1csc(C(C#N)=Cc2cccc(OCc3ccccc3)c2)n1 2331479036 QDLNKXJNFFDORE-UHFFFAOYSA-N 464.634 8.059 50 10 JKGE COc1ccc(-c2csc(C(C#N)=Cc3ccc(Cl)c([N+](=O)[O-])c3)n2)c(OC)c1OC 2331492874 XKCHORDOQJOKJR-UHFFFAOYSA-N 457.895 5.462 50 10 JKGE FC(F)(F)c1sccc1[C@@H](Cl)c1cc(Br)ccc1OCc1ccccc1 2336074483 GRYHERMOCNGRPA-QGZVFWFLSA-N 461.730 7.437 50 10 JKGE CCC(CC)CCC(CBr)(CBr)c1ccc(Br)cc1 2338165897 KNWHWYCKNCCGNE-UHFFFAOYSA-N 455.072 6.693 50 10 JKGE FC(F)(F)[C@@H]1OC2([C@@H](Br)c3sc(Cl)cc3I)CC1C2 2338768637 SELKJANHKWQKFZ-IGALMGLPSA-N 487.506 5.552 50 10 JKGE CC[C@H](C(C)C)[C@@H](Br)c1c(C)cc(Br)c(OC)c1Br 2339657571 ZFGPZJFTYMAGTC-ZWNOBZJWSA-N 457.044 6.647 50 10 JKGE Cc1c(CBr)ccc(NC(=O)c2sccc2I)c1C 2342223902 KZCHSEFURFPCLU-UHFFFAOYSA-N 450.139 5.117 50 10 JKGE Fc1cc(Cl)c(Br)c(Cl)c1[C@@H](Br)c1cccc(Cl)c1Cl 2360494869 XKNMNKLEEULLMF-JTQLQIEISA-N 481.801 7.686 50 10 JKGE COC[C@@H]1CC[C@H]([C@@H](Br)c2c(Cl)cc(Br)c(F)c2Br)C1 2362229596 URVDTZARXABPAA-RGNHYFCHSA-N 493.436 6.503 50 10 JKGE Clc1ccc([C@H](Cl)c2ccc(-c3cccs3)s2)c(I)c1 2365599869 XZNFEHLAYWHUNY-HNNXBMFYSA-N 451.181 7.063 50 10 JKGE COc1cccc(OCc2cc(I)ccc2Br)c1CCl 2367519749 MDXVAROQRMVKAH-UHFFFAOYSA-N 467.528 5.380 50 10 JKGE Cc1cc(Br)c(C)c([C@H](Br)[C@]23C[C@H](C[C@H](C)O2)C3)c1Br 2368714841 WMZDTIXMRHZYIT-PVYXACFKSA-N 467.039 6.222 50 10 JKGE FC1(F)[C@@H]2CC(CO[C@H](CI)c3cccc(Br)c3)C[C@H]21 2369977959 KBEXSYCIQXAARR-MGPQQGTHSA-N 457.096 5.233 50 10 JKGE N#C/C(=C\c1ccc(-c2ccc(Br)cc2)o1)C(=O)Nc1sc2c(c1C(N)=O)CCCC2 1103846 AKZSULXIEZHTTF-SDNWHVSQSA-N 496.386 5.294 50 10 JKGE COC(=O)c1c(-c2ccccc2)csc1NC(=O)/C(C#N)=C\c1ccc(Cl)cc1Cl 6579462 JMLYCNGPTAUNSE-DHDCSXOGSA-N 457.338 6.054 50 10 JKGE CCCCCCOc1ccc(C(=O)NNC(=O)[C@H](CC)Oc2ccc(-c3ccccc3)cc2)cc1 14768941 NVVOXNNYHVDTIU-MHZLTWQESA-N 474.601 5.931 50 10 JKGE COc1cc(/C=C(/C#N)c2ccc(Cl)cc2)ccc1OC(=O)[C@H](C)N1C(=O)c2ccccc2C1=O 31902176 YYONWZPXXAGEFN-UEIJICEPSA-N 486.911 5.003 50 10 JKGE CCOc1ccc(NC(=O)/C(C#N)=C\c2cn(CC(=O)Nc3ccccc3)c3ccccc23)cc1 33752235 ZJSPPUZHBWOBJI-SILNSSARSA-N 464.525 5.224 50 10 JKGE Cc1ccc2c(O)nc(/C(C#N)=C\c3cn(-c4ccccc4)nc3-c3cccc4ccccc34)nc2c1 35519279 WAEVMDUKTAJRMB-XLNRJJMWSA-N 479.543 6.714 50 10 JKGE N#CC1=C(N)Oc2cc(OC(=O)c3ccc(Cl)cc3Cl)ccc2[C@@H]1c1cccc(Cl)c1 38651170 VJSYNAYOHSXMJD-NRFANRHFSA-N 471.727 6.084 50 10 JKGE CCCCOc1ccccc1C(=O)Oc1ccc2c(c1)OC(N)=C(C#N)[C@H]2c1ccc(F)cc1 38653197 YGHIGZKYQKLFIP-VWLOTQADSA-N 458.489 5.442 50 10 JKGE C=CCOc1ccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)COc4ccc(Cl)cc4)ccc32)cc1 38658031 AMDAKJXZHDMCMO-AREMUKBSSA-N 488.927 5.107 50 10 JKGE CCCCOc1ccccc1[C@@H]1C(C#N)=C(N)Oc2cc(OC(=O)c3cccc(OC)c3)ccc21 38682671 WFUFIGXELHESEZ-SANMLTNESA-N 470.525 5.311 50 10 JKGE COc1ccccc1/C=N/NC(=O)CSc1c(Cl)c(Cl)c(Cl)c(Cl)c1Cl 59147183 DQIXRHXFJZXDTB-GEVRCRHISA-N 472.608 6.205 50 10 JKGE Cc1ccc(-n2nc(C)c(/C=N/NC(=O)[C@H](C)Oc3ccc(Cl)cc3Cl)c2C)cc1C 59165570 PKWURSSFUUUUHD-FLKNIFQJSA-N 459.377 5.330 50 10 JKGE N#C/C(=C/c1ccc(COc2c(Cl)cc(Cl)cc2Cl)o1)C(=O)Nc1nccs1 96438656 NNPLPOQMBCUDOJ-YHYXMXQVSA-N 454.722 5.821 50 10 JKGE COc1ccc(Br)c(C[C@@H](CBr)Cc2cccc(Br)c2)c1 97184703 LUXKGURJICEEGF-ZDUSSCGKSA-N 477.034 6.017 50 10 JKGE CCCCN(C[C@@H](Br)[C@H](Br)c1ccccc1)S(=O)(=O)c1ccccc1 100316066 CGFXHSHNJQZDRM-RTBURBONSA-N 489.273 5.377 50 10 JKGE CCc1ccc(N2C(=O)[C@H](Cc3ccccc3)S/C2=C(/C#N)C(=O)Nc2cccc(C)c2)cc1 101245357 DQQJCBDAUGGHIO-UZEPBSNMSA-N 467.594 5.622 50 10 JKGE CC1=C(C#N)C(=O)N(CCc2ccccc2)C(=O)/C1=C/c1ccc(-c2cccc(Cl)c2Cl)o1 101338205 SIGIHDFSZKZYPY-XSFVSMFZSA-N 477.347 6.088 50 10 JKGE CCCC[C@@H](CC)CC(CBr)(CBr)c1ccc(Br)cc1 118878488 QNCVRHHIAXMJEN-CQSZACIVSA-N 469.099 7.083 50 10 JKGE Fc1c(Cl)cccc1[C@@H](Br)c1cc(Br)c(Br)s1 131173340 RKBSGCCVEZEPAX-SECBINFHSA-N 463.391 6.550 50 10 JKGE Fc1cccc(F)c1CC(CBr)(CBr)c1ccccc1Br 157754626 YJNYPAZMPRJJFG-UHFFFAOYSA-N 482.988 5.998 50 10 JKGE CCCCCCOc1ccccc1C(=O)/C=N\NC(=O)CSc1nc2ccccc2s1 169892954 QPRANBMECDWMAV-IWIPYMOSSA-N 455.605 5.332 50 10 JKGE Cc1cccnc1C[C@H](Br)c1cc(Br)ccc1I 235775377 CXWSFDIISDUHHY-LBPRGKRZSA-N 480.969 5.436 50 10 JKGE Cc1sc([C@@H](Br)c2ccc(Cl)cc2Br)cc1Br 235971342 KYQRVKMSYLZUJD-LBPRGKRZSA-N 459.428 6.719 50 10 JKGE CC(C)CCC[C@H](C)[C@@H]1CC[C@@H]2[C@H]3CC=C4C[C@@H](OC(=O)CCCl)CC[C@]4(C)[C@@H]3CC[C@@]12C 253534599 NZCIAHIYIOJGGF-FENLLQQESA-N 477.173 8.569 50 10 JKGE CCOc1cc(C=NNC(=O)CNc2ccccc2)ccc1OC(=O)c1cccc2ccccc12 254350460 RCWTXNNWYOIEQU-UHFFFAOYSA-N 467.525 5.020 50 10 JKGE CC(C[P+](c1ccccc1)(c1ccccc1)c1ccccc1)=NN=C/C=C/c1ccccc1[N+](=O)[O-] 254369462 YNHNLDXDIPITBQ-ABARIZGESA-N 492.539 6.049 50 10 JKGE CC(=NNC(=O)c1c(O)ccc2ccccc12)c1cccc(NC(=O)COc2ccc(Cl)cc2)c1 254737881 VAHYOJGEWNFSLD-UHFFFAOYSA-N 487.943 5.370 50 10 JKGE CCN(Cc1ccccc1)c1ccc(C=NNC(=O)CNc2cccc(C(F)(F)F)c2)cc1 254870054 UKEIDMLIPSOFED-UHFFFAOYSA-N 454.496 5.294 50 10 JKGE C/C(C=O)=C\CC[C@H](C)[C@@H]1CC[C@]2(C)C3=C(CC[C@]12C)[C@@]1(C)CCC(=O)C(C)(C)[C@H]1CC3=O 257469889 KZOBOICRKKYGAQ-VJCRDMIHSA-N 452.679 7.045 50 10 JKGE biogenic FC(F)(F)c1csc([C@H](Br)c2ccc(Cl)cc2Cl)c1Br 312887587 VUQGFJJBYGEEKI-SECBINFHSA-N 468.947 7.321 50 10 JKGE C[C@@H]1C[C@H](n2c(CCCl)nc3cc(I)ccc32)CCN1Cc1ccccc1 379612803 VMFNPCKSULMETF-VQIMIIECSA-N 493.820 5.648 50 10 JKGE N#CC1(COc2c(Br)cc(CBr)cc2Br)CCCC1 405189302 OQFKOVDUAWVMIM-UHFFFAOYSA-N 451.984 5.569 50 10 JKGE CC(C)(C)[Si](C)(C)OCCc1ccccc1[C@H]1CCN(CCO[Si](C)(C)C(C)(C)C)CCO1 616595708 OWBDUIAJCMANAT-RUZDIDTESA-N 493.881 7.036 50 10 JKGE CC(C)(C)OC(=O)NCCN1CCOC[C@@H]1c1ccc(CO[Si](C)(C)C(C)(C)C)cc1 616640420 XKIOSDPBKPZSIS-OAQYLSRUSA-N 450.696 5.106 50 10 JKGE Cl[C@H](c1csc(I)c1)c1cc(Br)cc2c1OCCC2 688404151 IXSPYRYHDSSDIV-CYBMUJFWSA-N 469.569 5.768 50 10 JKGE CCn1cc([C@H](Cl)c2cc(Br)sc2Br)nc1Br 698498020 QQNWITVGSZGZCH-MRVPVSSYSA-N 463.420 5.580 50 10 JKGE Cc1ccccc1C(CBr)(CBr)Cc1ccncc1Br 702864891 NIVNVFMRLTURPR-UHFFFAOYSA-N 462.023 5.423 50 10 JKGE Brc1ccc(I)c([C@@H](Br)c2ccc(C3CC3)s2)c1 707930993 QRYOTTVNGDOODX-CQSZACIVSA-N 498.021 6.477 50 10 JKGE CCc1ccc([C@@H](Br)c2ccc(I)c(Br)c2)cc1 721594641 QGTAIZXHWWRZRB-OAHLLOKOSA-N 479.981 6.100 50 10 JKGE N#Cc1ccccc1COc1c(Cl)cc(C=NNC(=O)CC[C@H](O)c2ccccc2)cc1Cl 725381371 AOFAQBAEBQYLML-QHCPKHFHSA-N 482.367 5.408 50 10 JKGE Cc1ccccc1OCC(=O)NN=Cc1c(Br)c(C)n(-c2c(C)cccc2C)c1C 725427689 OUKZNQVOWDCGPB-UHFFFAOYSA-N 468.395 5.311 50 10 JKGE COc1ccc(/C=C(/C#N)C(=O)Nc2cccc3ccccc23)cc1OCc1ccccc1Cl 1083906204 ZVULODHATWJYJN-JCMHNJIXSA-N 468.940 6.626 50 10 JKGE COc1ccc(NC(=O)/C(C#N)=C/c2cc(Br)c(Sc3ccc(Cl)cc3)o2)cc1 1083988454 SXRWYZLFVBLNBR-JLHYYAGUSA-N 489.778 6.401 50 10 JKGE Cc1cc(C)c2[nH]c(-c3ccccc3)c(/C=C(/C#N)C(=O)Nc3ccc(Br)cc3)c2c1 1084102228 ZVYXXHCYJZFUIO-RGEXLXHISA-N 470.370 6.760 50 10 JKGE O=C(COc1ccc2ccccc2c1Br)NN=Cc1cccc(Cl)c1Cl 1084164292 POHPLHBZDVVSNL-UHFFFAOYSA-N 452.135 5.438 50 10 JKGE CCOC(=O)C1=C(C)NC(CSC(=O)C23CC4CC(CC(C4)C2)C3)=C(C#N)[C@@H]1c1cccs1 1084414346 WJQGCXUUIMOYNF-FSGTUPQPSA-N 482.671 5.526 50 10 JKGE CCCCCOc1ccc(C=NNC(=O)CSc2nc(-c3ccccc3)cs2)cc1OCC 1772755207 UQHIMWYOVMDDQB-UHFFFAOYSA-N 483.659 6.020 50 10 JKGE Cc1cc(O[C@@H](C)C(=O)NN=Cc2ccc(OCc3ccccc3Cl)cc2)cc(C)c1Cl 1772755615 AHDFQQKUBSAONQ-SFHVURJKSA-N 471.384 6.107 50 10 JKGE COc1ccc(-c2nn(Cc3ccc(C)cc3)c3c2[C@H](c2cccc4ccccc24)C(C#N)=C(N)O3)cc1 1865682040 DPXQSKQYHIGGJE-MUUNZHRXSA-N 498.586 6.287 50 10 JKGE Cc1ccc(-n2nc(C(F)(F)F)c3c2OC(N)=C(C#N)[C@H]3c2ccc(C(C)(C)C)cc2)cc1 1865682333 MDSFCIUURSZFND-LJQANCHMSA-N 452.480 5.715 50 10 JKGE COc1cccc([C@@H]2C(C#N)=C(N)Oc3c2c(-c2ccccc2)nn3-c2cccc(Cl)c2)c1O 1865683861 JQGHMZIZWQVNMH-OAQYLSRUSA-N 470.916 5.125 50 10 JKGE CCCc1nn(-c2ccc(Br)cc2)c2c1[C@H](c1ccc(C(C)C)cc1)C(C#N)=C(N)O2 1865684846 ABMMHFXGMDYNPC-JOCHJYFZSA-N 477.406 5.929 50 10 JKGE CCn1nc(-c2ccccc2)c2c1OC(N)=C(C#N)[C@H]2c1ccccc1OCc1ccc(Cl)cc1 1865700803 DTEFKSBZCGSTTD-XMMPIXPASA-N 482.971 6.021 50 10 JKGE Cn1nc(C(F)(F)F)c2c1OC(N)=C(C#N)[C@@H]2c1ccc(OCc2ccc(Cl)cc2Cl)cc1 1865701268 RBBVUJYAWNHIHT-KRWDZBQOSA-N 495.288 5.543 50 10 JKGE CCCc1nn(-c2cccc3ccccc23)c2c1[C@@H](c1ccc(OC)cc1OC)C(C#N)=C(N)O2 1865708047 MQMQXXDBWZYUDL-VWLOTQADSA-N 466.541 5.213 50 10 JKGE CC(C)C[C@H](NC(=O)/C(C#N)=C/c1ccc(Br)cc1)C(=O)Nc1ccc2ccccc2c1 1866128844 PCBLVIDNWPLCTG-ZBXXMNEPSA-N 490.401 5.679 50 10 JKGE CC(C)CN1C(=O)c2ccc(/C(O)=C(\C#N)c3nc(-c4ccc5c(c4)CCCC5)cs3)cc2C1=O 1872745372 KFRSTNUWLPSKMA-BZZOAKBMSA-N 483.593 5.891 50 10 JKGE CCCCc1ccc(N2C[C@@H](/C(O)=C(\C#N)c3nc(-c4ccccc4Cl)cs3)CC2=O)cc1 1872746800 YUHDKEQHBZPBBZ-IIPXAIGGSA-N 478.017 6.652 50 10 JKGE Cc1ccc(C)c(-c2csc(/C(C#N)=C(\O)Cc3ccc(OCc4ccccc4)cc3)n2)c1 1872749971 QGKSIVCCHPJWIT-RFBIWTDZSA-N 452.579 7.041 50 10 JKGE COc1cc(-c2csc(/C(C#N)=C(\O)CCc3nc4ccccc4[nH]c3=O)n2)c(OC)cc1Cl 1872756286 HCJZQFVPRZRJJC-ZHZULCJRSA-N 494.960 5.143 50 10 JKGE Cc1ccc(-c2csc(/C(C#N)=C(\O)c3ccc4c(c3)C(=O)N(C(C)(C)C)C4=O)n2)cc1C 1872756610 RUTIOUSRTQWELV-XDOYNYLZSA-N 457.555 5.771 50 10 JKGE COc1cc(C)c(-c2csc(/C(C#N)=C(\O)[C@@H]3CC(=O)N([C@@H](C)c4ccccc4)C3)n2)cc1C 1872758318 UXLIGRFEVZQHJD-XUSUJHAKSA-N 473.598 5.838 50 10 JKGE CCOc1ccc(CC/C(O)=C(\C#N)c2nc(-c3cc(Cl)ccc3OC)cs2)cc1OC 1872758468 BLDBBIRUXXQEIC-ZZEZOPTASA-N 470.978 6.305 50 10 JKGE Cc1ccc(COc2ccc(/C=C(\C#N)c3nc(-c4ccc5c(c4)CCCC5)cs3)cc2)cc1 1872782683 OYQLETFQDLKKQI-JVWAILMASA-N 462.618 7.641 50 10 JKGE CCOc1ccc(/C=C(\C#N)c2nc(-c3cc(OC)c(Cl)cc3OC)cs2)cc1OC 1872793812 UOEQXDZGOJXDRH-OVCLIPMQSA-N 456.951 5.952 50 10 JKGE COc1ccc(C)cc1-c1csc(/C(C#N)=C(\O)c2ccc(N3CCCC3)c([N+](=O)[O-])c2)n1 1873921051 ROAJYGSAKQOJSH-NKFKGCMQSA-N 462.531 5.585 50 10 JKGE CC[C@@H](C)[C@H](/C(O)=C(\C#N)c1nc(-c2cccc([N+](=O)[O-])c2)cs1)N1C(=O)c2ccccc2C1=O 1873940730 FAGARHMUTLNAEL-UCNANMCJSA-N 488.525 5.222 50 10 JKGE Cc1c(Br)csc1[C@@H](Cl)c1sc(Cl)cc1I 1900954305 QWFREARFZXISMX-MRVPVSSYSA-N 468.006 6.467 50 10 JKGE COc1cc(C)c([C@@H](Cl)c2cccc(I)c2)cc1Br 1901585746 GTCWPCXOJQXTMP-HNNXBMFYSA-N 451.529 5.699 50 10 JKGE Cc1scc([C@H](Cl)c2cc(Br)c(Br)s2)c1Br 1902872320 MGXYNPFVHMNGFD-VIFPVBQESA-N 465.457 6.734 50 10 JKGE CC(C)[C@@H](CCl)N(Cc1ccccc1)C(=O)c1ccc(I)c(Cl)c1 1915289210 QWGWIVZKEFBAFT-GOSISDBHSA-N 476.185 5.850 50 10 JKGE Brc1cc(Br)c([C@@H](Br)c2cscc2Br)s1 1922897857 QFMVYEUYGSLPIT-QMMMGPOBSA-N 495.881 6.581 50 10 JKGE Cc1nscc1[C@H](Cl)c1c(Br)sc(Br)c1Br 1924572580 ZZMLWTDWXRQAKO-ZETCQYMHSA-N 466.445 6.129 50 10 JKGE CC(C)(C)[C@@H]1C[C@@H]1[C@H](Cl)c1c(Br)sc(Br)c1Br 1924612948 PEOQUBINOJZFLA-MYINAIGISA-N 465.476 6.998 50 10 JKGE CS(=O)(=O)c1ccc([C@H](Br)c2c(Cl)sc(Br)c2Cl)cc1 1925601103 UVLNQEZFCCDLBY-VIFPVBQESA-N 479.042 5.705 50 10 JKGE Clc1ccsc1[C@@H](Br)c1csc(Br)c1Br 1930627576 DABPSCYAFBAJGC-LURJTMIESA-N 451.430 6.472 50 10 JKGE CC[C@H](Br)CN(Cc1ccccc1)C(=O)c1cc(Br)c(Cl)s1 1961679971 SEDZBSWBQQPKCJ-LBPRGKRZSA-N 465.638 5.980 50 10 JKGE FC1(F)CN(Cc2ccccc2)CCN(c2cccc(Br)c2CBr)C1 2032248439 YLDKHPLZYGOOHE-UHFFFAOYSA-N 474.187 5.302 50 10 JKGE Cc1c(Br)sc([C@H](Br)[C@@H]2CC[C@@H]3[C@@H]2C3(F)F)c1Br 2040541408 KVXPCXVIFPYANX-JXOAFFINSA-N 464.995 6.309 50 10 JKGE FC(F)(F)[C@@H]1C[C@H]1C[C@H](Br)c1cc(Br)ccc1Br 2065500028 XQTKNRLKLFLCJT-OIVXANJASA-N 450.918 6.236 50 10 JKGE FC1(F)CC2(C[C@H]2[C@@H](Br)c2c(Br)sc(Br)c2Cl)C1 2069069496 SPCQSTDCHHISMP-UJURSFKZSA-N 485.413 6.798 50 10 JKGE COc1cc(C)c([C@H](Br)c2cscc2Br)cc1Br 2078007792 NURBYWKJTQGAFC-ZDUSSCGKSA-N 455.009 6.074 50 10 JKGE COc1c(Cl)cc(Br)cc1[C@H](Br)c1sccc1Br 2082859809 VERMQXLEWVPTCD-JTQLQIEISA-N 475.427 6.419 50 10 JKGE CCc1nc([C@@H](Cl)c2ccc(Br)cc2Br)c(Br)s1 2083317938 KYFDBIIKIYQOLH-JTQLQIEISA-N 474.443 6.321 50 10 JKGE Clc1cc(Br)ccc1[C@@H](Cl)c1ccc(Br)cc1Br 2083330875 UBMPZHIUHDBLRD-ZDUSSCGKSA-N 473.817 6.956 50 10 JKGE Br[C@H](c1ccc(-c2cccs2)s1)c1sccc1I 2085088637 RKZZCJNSCFIDEZ-GFCCVEGCSA-N 467.216 6.627 50 10 JKGE BrCc1ccc(N2CCC[C@H]2[C@@H]2CCN(Cc3ccccc3)C2)cc1Br 2088999141 AIBFHCRTBVRAHE-KNQAVFIVSA-N 478.272 5.835 50 10 JKGE C[C@@H]1Cc2cc([C@@H](Br)c3ccoc3Br)cc(Br)c2O1 2090466321 DOBKGWYDAOQHNO-JMCQJSRRSA-N 450.952 5.612 50 10 JKGE Cc1cc([C@@H](Br)c2cccc(Br)c2Br)c(F)cc1F 2092328827 PHWKUAUOQYPHBS-ZDUSSCGKSA-N 454.934 6.283 50 10 JKGE CC(C)(CBr)[C@@H]1CCCN1Cc1cccc(Br)c1Br 2099643798 WCNQRUOLOLIQKV-ZDUSSCGKSA-N 454.044 5.597 50 10 JKGE CN(C[C@@H](Br)C1CCCCC1)c1ncc(Br)cc1Br 2111351232 NYFJQSWYZUNENU-CYBMUJFWSA-N 455.032 5.387 50 10 JKGE CN(C(=O)c1cc(Br)c(Br)s1)C1CCC(CBr)CC1 2114664529 GXUAAIWURPLLRO-UHFFFAOYSA-N 474.056 5.299 50 10 JKGE Cc1cc(Br)c(CBr)c(N(C)Cc2cc(Br)cs2)c1 2116804052 NJCAQKKRJOFYNR-UHFFFAOYSA-N 468.052 6.113 50 10 JKGE Cc1cc(Br)c([C@H](Br)C[C@H]2C[C@@H]2C(F)(F)F)cc1Br 2128765888 IZQFNAUAUKRZMJ-VFWDIBGWSA-N 464.945 6.545 50 10 JKGE CN(C[C@]1(Br)CC1(F)F)c1cc(Br)cc(F)c1CBr 2137813571 GLGNDVNPADABTP-LLVKDONJSA-N 465.933 5.092 50 10 JKGE Cc1cc([C@H](Cl)c2cc(C3CC3)c(Br)s2)ccc1I 2142123441 ZJUSTSQBTKDTJR-AWEZNQCLSA-N 467.597 6.629 50 10 JKGE CCCC[C@H](C)CC[C@H](Br)c1cc(Br)c(C)cc1Br 2142157158 HEOROCFVZMXSNO-FZMZJTMJSA-N 455.072 7.563 50 10 JKGE CC(C)c1nc(Br)c(Br)n1C[C@H](CBr)c1ccccc1 2143941199 OGAKJLCGAWFGHJ-LBPRGKRZSA-N 465.027 5.710 50 10 JKGE CC1(C)CCC[C@]1(CBr)NC(=O)c1cc(Br)ccc1Br 2150547600 YRQWUPYCZDKJJA-OAHLLOKOSA-N 468.027 5.285 50 10 JKGE CC1(C)C[C@H](n2c(CCl)nc3ccc(F)c(Br)c32)CN1Cc1ccccc1 2154534607 JXINREPIUPFKOI-HNNXBMFYSA-N 450.783 5.902 50 10 JKGE O=S(=O)(c1ccc(CBr)c(Cl)c1)N(Cc1ccccc1)CC1CCCCC1 2179780341 RDILEMWQZCGYKZ-UHFFFAOYSA-N 470.860 6.006 50 10 JKGE Cc1cc(Br)c(C)c([C@H](Br)C2(C)CCCCCC2)c1Br 2201076245 FLVXDWHXQINDPI-INIZCTEOSA-N 467.083 7.625 50 10 JKGE COc1cc(Cl)c([C@@H](Br)c2cccc(C)c2Br)cc1Br 2202351138 HRJFXGUCIDXPMP-HNNXBMFYSA-N 483.425 6.666 50 10 JKGE Cc1c(Br)ccc([C@@H](Br)C(C2CCC2)C2CCC2)c1Br 2203685177 JEBCEFYEMWXFCS-QGZVFWFLSA-N 465.067 7.172 50 10 JKGE Cc1cc([C@@H](Cl)c2cc(Br)c3c(c2)CCO3)ccc1I 2207112060 VSSQYRSUXNHBQE-OAHLLOKOSA-N 463.540 5.625 50 10 JKGE Cl[C@H](Cc1nc2ccccc2o1)c1ccc(Br)cc1I 2207268475 LUCQLIWZYDUBKE-LLVKDONJSA-N 462.512 5.718 50 10 JKGE Clc1cc(Br)ccc1C[C@H](Br)c1cc(Br)sn1 2215854607 STXUIBWYBKQXML-QMMMGPOBSA-N 460.416 6.000 50 10 JKGE Cc1cc(Br)c([C@H](Br)[C@@H]2OC[C@@H]3CCC[C@H]32)cc1Br 2224922369 CZVOZFLEESIISK-WVGQAWGZSA-N 453.012 5.771 50 10 JKGE C[C@@H](Cl)c1nc2cc(Br)c(Br)cc2n1CC1CN(Cc2ccccc2)C1 2225694653 XHCMJQNWJCHPHP-CYBMUJFWSA-N 497.662 5.993 50 10 JKGE Cc1cc(Br)c([C@H](Br)[C@H]2C[C@]23CCOC3)c(C)c1Br 2227349342 RGZNMVZZGIJJCN-KMUNFCNLSA-N 453.012 5.691 50 10 JKGE Clc1cc(Br)c([C@@H](Br)c2c(Cl)cccc2Cl)c(Cl)c1Cl 2232515086 YOUDLINVEZZFRX-LLVKDONJSA-N 498.256 8.200 50 10 JKGE Cc1cc(Br)c([C@H](Br)c2cc(Br)ccc2F)c(C)c1Cl 2232525649 DNHDNUPQHOABCC-CQSZACIVSA-N 485.416 7.105 50 10 JKGE CCc1cc([C@H](Br)c2ccccc2OCc2ccccc2)sc1Br 2248003701 OWQRIFPBYGSGPP-LJQANCHMSA-N 466.238 7.136 50 10 JKGE BrCC(CBr)(CCCOCc1ccccc1)CCc1ccccc1 2249797229 DVFSKZMVYWPZSF-UHFFFAOYSA-N 454.246 6.392 50 10 JKGE C[C@@](CBr)(O[C@H]1CCN(Cc2ccccc2)C1)c1ccccc1Br 2250363656 HCBRSOXAIXGMBB-PXNSSMCTSA-N 453.218 5.350 50 10 JKGE Cl[C@H](Cc1cc(Br)cc(Br)c1)c1ccc(Br)s1 2252777713 DPLZQNTZFZVJMB-SNVBAGLBSA-N 459.428 6.558 50 10 JKGE COc1ccc([C@@H](Br)c2cc(Br)co2)c(Br)c1Cl 2258149180 UOHHJWVIQWLLNG-SNVBAGLBSA-N 459.359 5.951 50 10 JKGE Clc1c(Br)csc1[C@@H](Cl)c1cc(I)cc2c1OCC2 2264606588 CAJJJWAZOTYLGR-JTQLQIEISA-N 489.987 6.032 50 10 JKGE Cc1nsc(Br)c1[C@@H](Cl)c1c(F)cc(Br)c(F)c1Br 2272722604 UCPRAOZBQDBJAD-SECBINFHSA-N 496.396 6.345 50 10 JKGE Cc1cc(F)ccc1[C@H](Br)Cc1cc(Br)cc(Br)c1 2277963359 TZWBJBMZGAQRGA-OAHLLOKOSA-N 450.971 6.338 50 10 JKGE CC1(C)CCO[C@@H](COc2c(Br)cc(CBr)cc2Br)C1 2280353400 BXIKUJZYXPAFLC-LLVKDONJSA-N 471.027 5.691 50 10 JKGE Cc1cc([C@H](Br)c2cc(F)c(Br)cc2F)c(C)cc1Br 2282097649 IANVTLNKTCBSFX-HNNXBMFYSA-N 468.961 6.591 50 10 JKGE Clc1ccc([C@H](Br)c2ccc(-c3cccs3)s2)cc1I 2283580343 VUKOQQCNAIVAGI-HNNXBMFYSA-N 495.632 7.219 50 10 JKGE COc1c([C@@H](Br)c2c(Br)cc(Cl)c(Cl)c2Cl)csc1Cl 2284308792 ICIWPBWBDKMBCO-MRVPVSSYSA-N 499.866 7.617 50 10 JKGE Fc1cc(Br)c(F)c(Br)c1[C@H](Br)C1(CC2CC2)CCC1 2288373199 GPKVAQCXXHHHKU-AWEZNQCLSA-N 472.993 6.896 50 10 JKGE CCc1ccc(NC(=O)C(C#N)=Cc2ccc(OCc3ccc(C(=O)O)cc3)c(OC)c2)cc1 2294171897 IBYDEZMTPFMZCJ-UHFFFAOYSA-N 456.498 5.080 50 10 JKGE Cc1ccccc1NC(=O)C(C#N)=C1S[C@@H](Cc2ccc(Cl)cc2)C(=O)N1c1ccccc1 2296506810 GAQVJLPLNWHLTF-QHCPKHFHSA-N 473.985 5.713 50 10 JKGE CCc1ccc(Oc2nc3c(C)cccn3c(=O)c2C=C(C#N)C(=O)Nc2ccc(C)cc2)cc1 2296543581 OBJRANUOPMEJAV-UHFFFAOYSA-N 464.525 5.212 50 10 JKGE Cc1ccc(C)c(NC(=O)C(C#N)=Cc2c(Oc3ccc(C(C)(C)C)cc3)nc3ccccn3c2=O)c1 2296720331 RINZXLQRHYEUEA-UHFFFAOYSA-N 492.579 5.947 50 10 JKGE CC1(C)CC[C@@H]([C@@H](Br)c2ccc(OCc3ccccc3)cc2Br)C1 2299506298 ALGCJGQCVZCHTA-OXQOHEQNSA-N 452.230 7.290 50 10 JKGE COC1([C@@H](Br)c2c(Cl)cc(Br)c(F)c2Br)CC1 2300175137 ZPJZYYMMFOBAFI-JTQLQIEISA-N 451.355 5.619 50 10 JKGE ClC[C@H](OCc1c(Br)cccc1Br)[C@@H](Br)CCl 2302101105 IMPIRPZNCMUHOR-QWRGUYRKSA-N 469.826 5.338 50 10 JKGE C[C@H]1O[C@@]2([C@H](Br)c3ccc(OCc4ccccc4)cc3Br)CC[C@H]1C2 2314442805 DACMYPOILHBLRR-VBGDYPAJSA-N 466.213 6.422 50 10 JKGE N#CC(=Cc1ccc(-c2c(Cl)cccc2Cl)o1)C(=O)Nc1cc(Cl)cc(Cl)c1 2314490371 XTHDYANEFUNRAT-UHFFFAOYSA-N 452.124 7.106 50 10 JKGE N#CC(=Cc1c[nH]nc1-c1ccccc1)c1nc(-c2cc3c(ccc4ccccc43)oc2=O)cs1 2314490521 YQEPLLSRHAIHFZ-UHFFFAOYSA-N 472.529 6.524 50 10 JKGE Fc1cc(Br)ccc1[C@H](Cl)c1cc(Br)ccc1OCc1ccccc1 2314501784 BEXQGLKQAQCZGC-FQEVSTJZSA-N 484.590 7.258 50 10 JKGE CCCOc1ccc(-c2nn(-c3ccccc3)cc2C=C2C(=O)N([C@@H](C)CC)C(=O)C(C#N)=C2C)cc1 2314610000 BQUVCYGWBPHZPY-FQEVSTJZSA-N 494.595 5.719 50 10 JKGE Cc1ccc(C=CC(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@@H]3c2cccc(Br)c2)cc1 2314634033 FBUHWXPXMROAJF-RUZDIDTESA-N 487.353 5.595 50 10 JKGE COc1cc(C=C(C#N)C(=O)NCc2ccccc2)ccc1OC(=O)c1ccc(C(C)(C)C)cc1 2314737002 GDIHSQIYDPWIAW-UHFFFAOYSA-N 468.553 5.435 50 10 JKGE CC1(F)CC([C@@H](Br)c2c(Cl)cc(Br)c(F)c2Br)C1 2315452437 CEZPITGIWKRPEI-UNXPPYCYSA-N 467.373 6.578 50 10 JKGE C[C@H](CCCCCI)NCc1ccc(Cl)c(I)c1 2315558517 WZQGJEKDNNNYBP-LLVKDONJSA-N 491.582 5.418 50 10 JKGE CC[C@@H](NC(=O)C(C#N)=CNCc1cccc(Br)c1)c1ccc2c(c1)CCCC2 2325092958 OIQRMJHYAPTJMG-HSZRJFAPSA-N 452.396 5.092 50 10 JKGE COc1ccc(C)cc1NC(=O)C(C#N)=CNc1ccc(-c2nc3ccc(C)cc3s2)cc1 2325367190 JLCLBIMYASKGFH-UHFFFAOYSA-N 454.555 6.047 50 10 JKGE CCc1ccc(-c2csc(C(C#N)=C(O)c3ccccc3I)n2)cc1 2331246176 JUPNEWUYBQKYMW-UHFFFAOYSA-N 458.324 5.927 50 10 JKGE COc1ccccc1-c1csc(C(C#N)=C(O)C=Cc2cc(OC)c(OC)c(OC)c2)n1 2331281911 GHUWXOKNYBWEBK-UHFFFAOYSA-N 450.516 5.351 50 10 JKGE CC[C@H](C)N1C(=O)c2ccc(C(O)=C(C#N)c3nc(-c4ccc(F)cc4F)cs3)cc2C1=O 2331286554 IHIMGLAEDGCRAY-LBPRGKRZSA-N 465.481 5.433 50 10 JKGE CCCOc1ccc(-c2csc(C(C#N)=C(O)c3ccccc3Cl)n2)cc1OCCC 2331293164 ARJWMYOFOPYTLA-UHFFFAOYSA-N 454.979 6.991 50 10 JKGE CCCOc1ccc(-c2csc(C(C#N)=C(O)c3ccnc(Cl)c3)n2)cc1OCCC 2331293545 XOVHBAWDNCMATG-UHFFFAOYSA-N 455.967 6.386 50 10 JKGE CC(C)c1ccc(-c2csc(C(C#N)=C(O)CNC(=O)c3ccc(C(C)(C)C)cc3)n2)cc1 2331340091 KSFMEEBWKMJAHL-UHFFFAOYSA-N 459.615 6.454 50 10 JKGE COc1cc(C=C(C#N)c2nc(-c3ccc(C(C)C)cc3)cs2)ccc1OCc1ccc(C)cc1 2331456604 JIDWMQWICUEMFG-UHFFFAOYSA-N 480.633 7.894 50 10 JKGE COc1ccccc1C[C@@H](Br)c1cc(Br)ccc1OCc1ccccc1 2336075922 SZNCXWMRVMHWIZ-HXUWFJFHSA-N 476.208 6.715 50 10 JKGE Cc1cc(Br)c(F)c(Br)c1[C@H](Br)[C@]12CCCC[C@H]1C2 2339652082 VTILTZBBRRTJCU-LNHVQRHZSA-N 455.003 6.675 50 10 JKGE CCc1ccc([C@@H](Br)c2c(C)cc(Br)c(F)c2Br)s1 2339676566 WUVMKJBFPKHYPY-GFCCVEGCSA-N 471.027 6.767 50 10 JKGE Cc1cc(Br)c(F)c(Br)c1[C@H](Br)CC1C[C@@H]2C[C@H]2C1 2339682056 OHGMRRMZWVTXIY-GMTAPVOTSA-N 455.003 6.531 50 10 JKGE C[C@H]1CCC[C@](CCl)(Cc2ccc(I)c(Br)c2)CC1 2349838033 AEWSMPOAJHSXIQ-BLLLJJGKSA-N 455.605 6.422 50 10 JKGE COc1c(Br)cc(C)c([C@@H](Br)[C@@H]2CC[C@@H]3C[C@@H]3C2)c1Br 2365235018 KMAXLZNMOGEHJZ-BIAAXOCRSA-N 467.039 6.401 50 10 JKGE C[C@H](Oc1ccc(-c2ccccc2)cc1)C(=O)NNC(=O)[C@H](C)Oc1ccc(Cl)cc1Cl 14038646 VXMDMAJXJDSRBT-HOTGVXAUSA-N 473.356 5.043 50 10 JKGE CSc1cccc(N/C(SCc2cccc(Cl)c2)=C(/C#N)S(=O)(=O)c2ccccc2)c1 20325570 VWMRUYKFHSNACL-GHVJWSGMSA-N 487.071 6.574 50 10 JKGE COc1ccc(/C(C#N)=C\c2ccc(OC(=O)Cc3c[nH]c4ccccc34)c(OC)c2)cc1OC 31902054 OFGNFQKCIPQMKD-NDENLUEZSA-N 468.509 5.406 50 10 JKGE Cc1ccc(N2C(=O)[C@H](Cc3cccc(C)c3)S/C2=C(/C#N)C(=O)Nc2ccc(F)cc2)cc1 34696747 PHRRKXKRDYQMHO-FYAMCCBRSA-N 471.557 5.508 50 10 JKGE Cc1ccc(C[C@H]2S/C(=C(C#N)\C(O)=N\c3ccc(F)cc3)N(c3ccc(F)cc3)C2=O)cc1 35189991 HVRJDXHLLAPYRT-YMGIJWJESA-N 475.520 5.988 50 10 JKGE COc1cc(/C=C(/C#N)c2nc(-c3ccc(Cc4ccccc4)cc3)cs2)cc(OC)c1OC 35351887 QTOUPBSFMDZVBB-UCQKPKSFSA-N 468.578 6.491 50 10 JKGE N#CC1=C(N)Oc2cc(OC(=O)COc3ccccc3Cl)ccc2[C@@H]1c1ccccc1Cl 38651028 HDLDNVBRNATFJS-QHCPKHFHSA-N 467.308 5.196 50 10 JKGE N#CC1=C(N)Oc2cc(OC(=O)c3ccc(F)cc3)ccc2[C@H]1c1cccc(Br)c1 38651459 VQEWEAQOPFURMG-OAQYLSRUSA-N 465.278 5.026 50 10 JKGE CCCCCOc1ccccc1[C@H]1C(C#N)=C(N)Oc2cc(OC(=O)c3cccc(Cl)c3)ccc21 38686185 VBNCFJLZNCTCIW-AREMUKBSSA-N 488.971 6.346 50 10 JKGE CCc1ccc2oc(C(=O)Oc3ccc4c(c3)OC(N)=C(C#N)[C@@H]4c3ccccc3OC)c(C)c2c1 38687259 HXNDDBXDHJDUBI-AREMUKBSSA-N 480.520 5.750 50 10 JKGE Cc1ccc(C(=O)O)cc1-n1c(C)cc(/C=N/NC(=O)c2cc3cc(Br)ccc3o2)c1C 59305145 JWARTBJLDJMITD-RPPGKUMJSA-N 494.345 5.373 50 10 JKGE C/C(=N\NC(=O)COc1ccc(C(C)(C)C)cc1Br)C(c1ccccc1)c1ccccc1 66202608 IGCFDSTYLUYTOV-VUTHCHCSSA-N 493.445 6.450 50 10 JKGE Cc1ccc(OCCOc2ccc(Br)cc2/C=C(/C#N)C(=O)NCc2ccco2)cc1C 96453212 IPIZVTNYQOVKIJ-MOSHPQCFSA-N 495.373 5.340 50 10 JKGE CCOc1cc(/C=C(/C#N)C(=O)NCc2ccco2)cc(Cl)c1OCCOc1cccc(OC)c1 102444206 QMARYUPMDCFWTR-UNOMPAQXSA-N 496.947 5.021 50 10 JKGE CCCCCCCCCCOc1ccc(C(=O)N/N=C2/C(=O)Nc3ccc([N+](=O)[O-])cc32)cc1 103743562 BOEYIHPCJOVQFP-UHFFFAOYSA-N 466.538 5.201 50 10 JKGE BrCc1cc(Br)ccc1OCCOc1ccc(Br)cc1 110376597 ODSDTDJTPOOHEU-UHFFFAOYSA-N 464.979 5.564 50 10 JKGE Cc1ccc(C(CBr)(CBr)Cc2ccc(Br)cc2)cc1 118876797 RFQODAPHFNTPBZ-UHFFFAOYSA-N 461.035 6.028 50 10 JKGE COc1cc([C@@H](Cl)c2cc(Br)ccc2Br)c(OC)cc1Br 134282660 ZNXPWASOMVSVBW-HNNXBMFYSA-N 499.424 6.320 50 10 JKGE COc1cc([C@@H](Br)c2cc(Br)ccc2C)c(OC)cc1Br 134293864 DAUFGUOYKQJPOF-INIZCTEOSA-N 479.006 6.022 50 10 JKGE Cc1cc([C@@H](Br)c2cc(Br)c(C)cc2Br)c(F)cc1F 137365624 FGOWAQJLVLUODE-HNNXBMFYSA-N 468.961 6.591 50 10 JKGE Cc1cc([C@@H](Br)c2cc3c(cc2Br)OCCO3)ccc1Br 137901424 GAUBKOYXXZWXRZ-MRXNPFEDSA-N 476.990 5.776 50 10 JKGE Cc1ccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)/C=C\c4ccc(C(C)(C)C)cc4)ccc32)o1 205649128 DHYFOJVEQLLRDI-GEFQUEKHSA-N 454.526 5.723 50 10 JKGE CCCCOC(=O)c1ccccc1NC(=O)/C(C#N)=C\N[C@@H](CC)c1ccc2c(c1)CCCC2 217240322 PUMZNUUHWWOWDD-VQZNFWSPSA-N 459.590 5.609 50 10 JKGE COc1cc(Br)c(Oc2ncc(CBr)cc2C)cc1Br 218337573 BTDRDWYYESJECN-UHFFFAOYSA-N 465.967 5.611 50 10 JKGE CC[C@H](C)[C@@H](c1ccccc1)[C@@H](Br)c1cc(Br)c(Br)s1 226742050 VDHCSWNQRBONNU-LKTVYLICSA-N 481.091 7.539 50 10 JKGE Clc1cc([C@H](Br)c2ccc3c(c2)OCCO3)ccc1I 232342906 RUMCSSZOLXOLTH-HNNXBMFYSA-N 465.512 5.200 50 10 JKGE Cc1cc(C=NNC(=O)CN2C(=O)c3cccc4cccc2c34)c(C)n1-c1cccc(Cl)c1Cl 254309678 DMKGAKSYUPASQF-UHFFFAOYSA-N 491.378 5.665 50 10 JKGE COc1ccc(C=NNC(=O)CSc2nnc(-c3ccc(C)cc3)n2C2CCCCC2)cc1OC 254507748 IBSHPUISGXLJPM-UHFFFAOYSA-N 493.633 5.018 50 10 JKGE O=C(/C=C\c1cccc([N+](=O)[O-])c1)OCC(=O)N(N=Cc1ccccc1)c1cccc(C(F)(F)F)c1 254825792 PMFXWORIXAXJEQ-UNCJMABVSA-N 497.429 5.237 50 10 JKGE CC(C)(C)OC(=O)N1CCC[C@](CBr)(OCc2ccccc2Br)C1 303741470 ONBUKUDYZAEKFO-GOSISDBHSA-N 463.210 5.130 50 10 JKGE Clc1ccc(Br)c([C@H](Br)c2cc3c(cc2Br)OCC3)c1 308415193 MFLXKMAUVVZIDY-OAHLLOKOSA-N 481.409 6.284 50 10 JKGE Cc1ccc(-n2c(CCl)nc3cc(Br)ccc32)cc1I 312504933 AKHWVWWUNZZIDA-UHFFFAOYSA-N 461.528 5.440 50 10 JKGE CC(C)c1cc(Br)ccc1Oc1cccc(Br)c1CBr 394696239 CNJLJFVHLKXRMJ-UHFFFAOYSA-N 463.007 7.022 50 10 JKGE CC(C)(C)[Si](C)(C)OCCc1ccccc1[C@@H]1CCOCCN1CCO[Si](C)(C)C(C)(C)C 616598036 MGJZBJGALMRTIO-VWLOTQADSA-N 493.881 7.036 50 10 JKGE Fc1cccc(C[C@@H](Br)c2scc(Br)c2Br)c1F 705491815 MKKPJDNFTLPALZ-SSDOTTSWSA-N 460.963 6.230 50 10 JKGE Brc1csc([C@H](Br)Cc2cccc3ccccc23)c1Br 705493693 VWUDHHHYZVZISS-CYBMUJFWSA-N 475.043 7.105 50 10 JKGE CC(=NNC(=O)CSc1nnc(-c2cccnc2)n1-c1ccccc1)C12CC3CC(CC(C3)C1)C2 1083922654 YACSNNHVIMLBSQ-UHFFFAOYSA-N 486.645 5.130 50 10 JKGE Cc1c(/C=C(\C#N)C(=O)N2CCN(c3ccccc3)CC2)c2ccccc2n1Cc1ccccc1 1084064078 WAWRNRUFDPGKOY-LKUDQCMESA-N 460.581 5.254 50 10 JKGE Cc1c(Br)c(C=NNC(=O)[C@@H](C)SCc2ccccc2)c(C)n1-c1ccccc1 1084506876 YEYADLITMJPIAE-GOSISDBHSA-N 470.436 5.629 50 10 JKGE COc1cc(C=NNC(=O)COc2ccc(C(C)(C)CC(C)(C)C)cc2)cc(Br)c1O 1772752916 ZFIVQZGTGCHKOI-UHFFFAOYSA-N 491.426 5.406 50 10 JKGE COc1cccc([C@H]2C(C#N)=C(N)Oc3c2c(-c2ccccc2)nn3-c2ccc(Cl)cc2)c1O 1865684058 MCABSCNVHSRYEH-NRFANRHFSA-N 470.916 5.125 50 10 JKGE N#CC1=C(N)Oc2c(c(-c3ccccc3)nn2-c2ccc(Cl)cc2)[C@@H]1c1ccccc1Cl 1865684843 AADWAGYWCDODQE-OAQYLSRUSA-N 459.336 6.064 50 10 JKGE N#CC1=C(N)Oc2c(c(-c3ccccc3)nn2-c2cccc3ccccc23)[C@H]1c1cc(Cl)ccc1O 1865689435 RYQYJXXJQPSTFI-VWLOTQADSA-N 490.950 6.270 50 10 JKGE CCOc1cccc([C@@H]2C(C#N)=C(N)Oc3c2c(-c2ccccc2)nn3-c2cccc3ccccc23)c1 1865689906 GGBHPOXICWGFLU-HHHXNRCGSA-N 484.559 6.309 50 10 JKGE CCOc1c(OC)cccc1[C@H]1C(C#N)=C(N)Oc2c1c(CC)nn2Cc1ccc(Cl)c(Cl)c1 1865693013 KPIBPWIYQJDZPZ-NRFANRHFSA-N 499.398 5.426 50 10 JKGE COc1ccc(-c2nn(-c3cccc4ccccc34)c3c2[C@H](c2ccccc2C)C(C#N)=C(N)O3)cc1 1865712920 MAWRCPXMJYQLQQ-HHHXNRCGSA-N 484.559 6.228 50 10 JKGE N#CSc1ccc(NC(=O)[C@H](NC(=O)[C@H](Cc2ccncc2)c2ccccc2)c2ccccc2)cc1 1866704046 XAXPYRKAARXSBA-KAYWLYCHSA-N 492.604 5.477 50 10 JKGE CC[C@@H](C)[C@@H](/C(O)=C(\C#N)c1nc(-c2ccccc2OC)cs1)N1C(=O)c2ccccc2C1=O 1872746837 ARMXHAQSXOGWEQ-SQGHSDBFSA-N 473.554 5.322 50 10 JKGE Cc1ccc(-c2csc(/C(C#N)=C(\O)[C@H](C)Oc3ccc(Cl)cc3Br)n2)cc1 1872749258 IUUSYJDLPVNFCD-BPHPCYGNSA-N 475.795 6.795 50 10 JKGE CCCCCCOc1ccc(/C(O)=C(\C#N)c2nc(-c3ccc(OCCC)cc3)cs2)cc1 1872749287 JYJJMAWAXBLRCD-LCUIJRPUSA-N 462.615 7.508 50 10 JKGE CCOc1ccc(-c2csc(/C(C#N)=C(\O)c3ccc(Cl)c([N+](=O)[O-])c3)n2)c(OCC)c1 1872755549 SLAGSCORTSQPGG-PGMHBOJBSA-N 471.922 6.119 50 10 JKGE CC(C)[C@@H](CCl)N(Cc1ccccc1)S(=O)(=O)c1ccc(Cl)c(Br)c1 1915272600 XRWUOWGMMXFUGK-GOSISDBHSA-N 465.240 5.557 50 10 JKGE O=C(NCC1CCC(CBr)CC1)c1csc(Br)c1Br 1922689338 GSNXFROIBWEFEU-UHFFFAOYSA-N 474.056 5.204 50 10 JKGE CC1(C)[C@H]2CC[C@@H](C2)[C@@H]1[C@@H](Br)c1sc(Br)cc1Br 1922882268 GUJOEEGKFAIRQP-LDDIKCJXSA-N 457.069 6.781 50 10 JKGE Cc1c(Br)sc([C@H](Br)C(C)(C)C(C)(F)F)c1Br 1922892453 APFOKYAQTWVXLT-QMMMGPOBSA-N 455.000 6.699 50 10 JKGE Cc1c(Br)sc([C@@H](Br)C2CCC3(CC2)CC3)c1Br 1922907340 SMJOEIXNQREODR-NSHDSACASA-N 457.069 6.988 50 10 JKGE Cc1c(Br)sc([C@H](Br)C[C@H]2CCCC2(F)F)c1Br 1922920901 LNLQRCXNSKKKNI-HTQZYQBOSA-N 467.011 6.843 50 10 JKGE Brc1cc(Br)c([C@@H](Br)c2ccccc2Br)s1 1922930297 QUQDZGIJVDIRJD-JTQLQIEISA-N 489.852 6.520 50 10 JKGE Clc1ccc([C@H](Cl)c2sc(Br)cc2Br)c(Br)c1 1922940874 MHCIFUYUCKGNQB-JTQLQIEISA-N 479.846 7.017 50 10 JKGE Cc1cccc([C@@H](Br)c2c(Br)sc(Br)c2Cl)c1Cl 1923055082 OKXANTKGRGUUNF-MRVPVSSYSA-N 493.873 7.373 50 10 JKGE Clc1c(Br)sc(Br)c1[C@@H](Cl)[C@@H]1CCc2ccccc2C1 1923065825 HUJVVIMOGUQDHT-PWSUYJOCSA-N 455.042 7.012 50 10 JKGE Clc1c(Br)sc(Br)c1[C@H](Br)C1CCOCC1 1923068718 VOOZONUFYXPQTB-SSDOTTSWSA-N 453.421 5.789 50 10 JKGE CC1(C)CCC[C@@H]1[C@@H](Cl)c1c(Br)sc(Br)c1Br 1924583640 MUSGQGOTGIIKOW-HZGVNTEJSA-N 465.476 7.142 50 10 JKGE Cl[C@@H](c1c(Br)sc(Br)c1Br)[C@@H]1CCCOCC1 1924615889 IALHIQXQZPVSOO-HZGVNTEJSA-N 467.448 6.132 50 10 JKGE CC1(C)CC[C@]2(CC[C@](C)(CI)O2)[C@@H](CNC(=O)OC(C)(C)C)C1 1927122012 MKHDESDUDWZSEI-ZMYBRWDISA-N 451.389 5.080 50 10 JKGE Clc1ccc([C@@H](Br)c2csc(Br)c2Br)s1 1930627615 DZSQASJIPVNTCN-ZETCQYMHSA-N 451.430 6.472 50 10 JKGE Fc1cc(Cl)c(Br)cc1[C@H](Br)c1cscc1OCc1ccccc1 1950337736 JRMVWLUESOTIER-SFHVURJKSA-N 490.619 7.366 50 10 JKGE Cc1cc(Br)c(CBr)c(Oc2ccccc2I)c1 2053203952 VGOSWYMKPQZLMH-UHFFFAOYSA-N 481.953 6.049 50 10 JKGE COc1cc(C=C(C#N)c2nc3cc(C(F)(F)F)ccc3s2)c([N+](=O)[O-])cc1OC(F)F 2053541927 VUXMICNRLBNIAN-UHFFFAOYSA-N 471.363 5.897 50 10 JKGE CO[C@H]1C[C@@H]([C@@H](Br)c2sc(Br)cc2Br)C[C@H]1OC 2054499694 TZPTWZWWKHISQQ-DYUFWOLASA-N 463.029 5.149 50 10 JKGE CCOc1ccc(C(F)(F)F)cc1-n1nc(CCl)c(Br)c1C(F)(F)F 2079185665 YWADGTPQFZSOHQ-UHFFFAOYSA-N 451.592 5.810 50 10 JKGE CCOc1ccc([C@@H](Br)c2cc(Br)ccc2Br)s1 2086382660 WJOGJIUYCCYLPT-ZDUSSCGKSA-N 455.009 6.156 50 10 JKGE COc1cc(Br)c([C@H](Br)c2sncc2Br)cc1OC 2088927432 MPDLKJXASDGJGV-NSHDSACASA-N 471.996 5.170 50 10 JKGE BrCc1ccc(Br)cc1N1CC[C@@H]2CCN(Cc3ccccc3)C[C@H]2C1 2092524911 UXLXBPXGYZCFJD-ICSRJNTNSA-N 478.272 5.692 50 10 JKGE Brc1scc([C@H](Br)Cc2nc3ccccc3s2)c1Br 2093941903 FMHMLPIRBJFMPI-MRVPVSSYSA-N 482.060 6.562 50 10 JKGE COc1ccc([C@@H](Br)c2csc(Br)c2Br)cc1OC 2093942199 MNTISBRCMZHGTH-LLVKDONJSA-N 471.008 5.775 50 10 JKGE Clc1c(CBr)cccc1OCc1c(Br)cccc1Br 2094090145 DWXMBYKJPKDJJC-UHFFFAOYSA-N 469.398 6.339 50 10 JKGE COc1sc([C@@H](Br)c2c(F)cc(Br)cc2F)cc1Br 2095777722 ZHWQSHOODGYNFF-LLVKDONJSA-N 476.962 6.044 50 10 JKGE Brc1cc([C@H](Br)[C@@H]2C[C@H]3CCCCCC[C@H]32)c(Br)s1 2109845656 JYIJYMGMRRBHRP-ZHSDAYTOSA-N 471.096 7.316 50 10 JKGE CC[C@@H](Br)[C@H]1CCCCN1C(=O)c1cc(Br)c(Br)s1 2114192695 JZLHHJKTXKOCFW-PSASIEDQSA-N 474.056 5.441 50 10 JKGE CO[C@@H]1CC([C@H](Br)c2c(Cl)sc(Br)c2Cl)C[C@H]1OC 2118267069 GEWHPUJBZIQKME-BHNWBGBOSA-N 453.023 5.693 50 10 JKGE CCCC(CCC)[C@@H](Br)c1c(C)c(Br)cc(C)c1Br 2136378464 DDQCPWMRJZLRCC-MRXNPFEDSA-N 455.072 7.481 50 10 JKGE Cc1c(F)ccc([C@@H](Br)c2cc(I)ccc2Br)c1C 2138889498 MVWYAIMZZRDXCX-OAHLLOKOSA-N 497.971 6.294 50 10 JKGE COc1cc(F)c(Cl)cc1[C@H](Br)c1cccc(I)c1 2142387320 ADKUCAGQCZGGQL-CQSZACIVSA-N 455.492 5.577 50 10 JKGE Clc1cc(C[C@@H](CBr)C2CCCCCC2)ccc1I 2142958552 RHZGMAXMIKZGOS-AWEZNQCLSA-N 455.605 6.469 50 10 JKGE COc1cc(Cl)c([C@@H](Br)Cc2ccccc2I)cc1Cl 2143868160 LLRFOOQYYRUDDT-NSHDSACASA-N 485.974 6.285 50 10 JKGE CCn1ncc(Br)c1[C@H](Cl)c1scc(C(F)(F)F)c1Br 2150668598 NCROIQVAOPOSFF-QMMMGPOBSA-N 452.521 5.837 50 10 JKGE CO[C@](C)(COCc1ccccc1)Cn1c([C@H](C)Cl)nc2cncc(Br)c21 2151792505 BGKFKBCVNVBDEF-XOBRGWDASA-N 452.780 5.116 50 10 JKGE Fc1cc(Cl)c(Br)cc1[C@H](Br)c1cc2c(s1)CCSC2 2154124888 VGIRWXCNKSTHJQ-AWEZNQCLSA-N 456.627 6.577 50 10 JKGE FC(F)(F)c1ccc(CBr)c(Oc2ccc(I)cc2)c1 2155764047 OQNAHFRMHKPPPV-UHFFFAOYSA-N 457.027 5.997 50 10 JKGE ClCc1nc2cc(Br)c(Cl)cc2n1Cc1sncc1Br 2159867718 YCHAMJLZRXRYLS-UHFFFAOYSA-N 455.990 5.458 50 10 JKGE BrCc1cc(Br)cc(Br)c1OCC1[C@H]2CCCCC[C@H]12 2167300771 VZIGAXBGYBRTHV-STQMWFEESA-N 467.039 6.312 50 10 JKGE C[C@@](F)(CC(CBr)(CBr)c1ccc(Br)cc1)C(F)(F)F 2191831174 ZWPXRTGCSZQTJD-LLVKDONJSA-N 484.951 6.157 50 10 JKGE Cc1cc(Br)c(C)c([C@H](Br)C2CC3(CCCC3)C2)c1Br 2201067965 OHMDBNRBANWVBP-MRXNPFEDSA-N 465.067 7.235 50 10 JKGE Cc1c(Br)ccc([C@@H](Br)c2cscc2C(F)(F)F)c1Br 2203690503 DMQSLEKRZNLPER-GFCCVEGCSA-N 492.980 7.085 50 10 JKGE Cc1c(Br)sc([C@H](Br)[C@@H]2OC[C@@H]3CCC[C@H]32)c1Br 2218094368 ZNVDUOLCVBARTK-SCVMZPAESA-N 459.041 5.833 50 10 JKGE C[C@@H](Cl)c1nc2cc(Br)c(Br)cc2n1C[C@H]1CCN1Cc1ccccc1 2225694090 QDZYKZFCDRLVMA-UKRRQHHQSA-N 497.662 6.136 50 10 JKGE Cc1nc2c(cc1Br)nc([C@@H](C)Cl)n2C[C@@H]1CC1(Br)Br 2233042765 YGEBENRYDSFYOA-SVRRBLITSA-N 486.433 5.308 50 10 JKGE Brc1ccc(CN2CC[C@@H]3[C@@H](Br)CCC[C@@H]3C2)c(Br)c1 2233856342 XOYOQHLGLYDGKT-UGFHNGPFSA-N 466.055 5.597 50 10 JKGE Fc1ccc(Br)c([C@@H](Br)c2c(F)cc(F)c(Br)c2F)c1 2236105651 ADMLSCILFUHIDG-LLVKDONJSA-N 476.887 6.252 50 10 JKGE Cc1cc(Br)c([C@H](Cl)c2ccc(Cl)c(I)c2)s1 2248213613 MWFRAMPXGBCFLO-LLVKDONJSA-N 461.977 6.405 50 10 JKGE Cc1cc(Br)c([C@H](Br)c2ccc(Br)s2)c(C)c1F 2253513394 QVEGJEDFBNPPHK-GFCCVEGCSA-N 457.000 6.513 50 10 JKGE CC(C)[C@@H](CBr)N(Cc1ccccc1)c1ccnc2ccc(Br)cc12 2257466992 TVXDUADIPHIGAE-OAQYLSRUSA-N 462.229 6.423 50 10 JKGE C[C@]1(F)C[C@H]([C@@H](Br)c2c(F)cc(Br)c(F)c2Br)C1 2260006337 RAYVVRNHSVKRMN-UYRYILJUSA-N 450.918 6.064 50 10 JKGE Clc1c(Br)csc1[C@H](Cl)c1csc2c(Br)cccc12 2264595023 QFDHQIRGXOTVJM-SNVBAGLBSA-N 457.039 7.469 50 10 JKGE COc1ccc([C@H](Br)c2ccc(Br)cc2C)cc1I 2269554713 GFIOWOCHRSICNF-HNNXBMFYSA-N 495.980 5.855 50 10 JKGE COc1c([C@@H](Br)c2scc(Cl)c2Cl)cc(Br)c(C)c1C 2284590342 WPWCVTZBCFJEAU-LLVKDONJSA-N 459.030 6.927 50 10 JKGE COc1ccc([C@H](Br)c2cc(F)c(Cl)cc2F)cc1I 2285015020 WDHRVHHBUQCIEW-AWEZNQCLSA-N 473.482 5.716 50 10 JKGE Cc1cc([C@H](Br)c2cc(Br)c(F)cc2Cl)c(C)cc1Br 2285949157 RIKRRFGRMZAWCO-HNNXBMFYSA-N 485.416 7.105 50 10 JKGE Brc1cc(Br)cc(C[C@@H](Br)c2ccc3c(c2)COC3)c1 2295273708 BDRJNGFYQFXUAO-MRXNPFEDSA-N 460.991 5.921 50 10 JKGE Cc1cc(F)c([C@H](Br)Cc2cc(Br)cc(Br)c2)cc1Cl 2295274645 MSOBVNXSKJBAJD-CYBMUJFWSA-N 485.416 6.991 50 10 JKGE COc1cc(Cl)c(C)cc1NC(=O)C(C#N)=Cc1ccc(N(c2ccccc2)c2ccccc2)cc1 2297381599 BIRRZFCJDCASJP-UHFFFAOYSA-N 493.994 7.673 50 10 JKGE Clc1cc([C@@H](Cl)c2cc(Br)ccc2OCc2ccccc2)sc1Cl 2299506493 BCVYNXJSMFNPEQ-KRWDZBQOSA-N 462.623 7.725 50 10 JKGE O=C(N[C@H](CCCl)COCc1ccccc1)c1cc(Br)ccc1Br 2303706562 DOEBPHCSFVJEJD-OAHLLOKOSA-N 475.608 5.156 50 10 JKGE N#CC(=Cc1cn(Cc2ccc(Br)cc2)c2ccccc12)C(=O)Nc1ccccc1 2313630276 CVNDWXSUYUIPNW-UHFFFAOYSA-N 456.343 5.998 50 10 JKGE Cc1cccc(COc2ccc(Br)cc2C=C(C#N)C(=O)Nc2ccccc2C)c1 2313667773 VVQGWFBPPVVRCE-UHFFFAOYSA-N 461.359 6.191 50 10 JKGE CCOc1cc(C=C(C#N)C(=O)NCc2ccccc2)ccc1OCc1ccc(Cl)cc1Cl 2313671289 YUTXJPQJJCKXFA-UHFFFAOYSA-N 481.379 6.194 50 10 JKGE N#CC(=C(O)c1ccc(-c2cccc([N+](=O)[O-])c2)o1)c1nc(-c2ccc(Br)cc2)cs1 2314457318 FBACMVOUPPQQGH-UHFFFAOYSA-N 494.326 6.691 50 10 JKGE CC1CC(C[C@H](Br)c2c(Cl)cc(Br)c(F)c2Br)C1 2315450772 IARYNAQAKLWGPZ-RRQHEKLDSA-N 463.410 6.876 50 10 JKGE C[C@]12C[C@H](C1)[C@@H]([C@H](Br)c1c(Br)sc(Br)c1Cl)CO2 2315924654 NNWQYTZONBQPPS-BJZFFMBYSA-N 479.459 6.178 50 10 JKGE CC12CCC([C@H](Br)c3sc(Cl)cc3I)(CC1)CO2 2316597356 QMUSBAWIBCQDJE-PNESKVBLSA-N 461.590 5.791 50 10 JKGE Cc1cc(Br)c(F)c([C@@H](Cl)c2sc(Cl)cc2I)c1 2316606025 LEWGPXZXNYCYSS-SNVBAGLBSA-N 479.967 6.544 50 10 JKGE N#CC(=C(O)CCCOc1ccc(Cl)cc1Cl)c1nc(-c2cccc([N+](=O)[O-])c2)cs1 2331236545 DRTVXYPNAKTVNK-UHFFFAOYSA-N 476.341 6.677 50 10 JKGE Cc1ccccc1OCCCC(O)=C(C#N)c1nc(-c2ccc(Br)cc2)cs1 2331260401 CPJLZROFPZHATA-UHFFFAOYSA-N 455.377 6.533 50 10 JKGE CC[C@@H](C)[C@H](C(O)=C(C#N)c1nc(-c2cccc3ccccc23)cs1)N1C(=O)c2ccccc2C1=O 2331340011 NVXLYBGGRCTQJD-CRICUBBOSA-N 493.588 6.467 50 10 JKGE COc1ccc(C(C)(C)C)cc1-c1csc(C(C#N)=C(O)[C@H](C)N2C(=O)c3ccccc3C2=O)n1 2331349389 OXRPWCKWKZUOID-HNNXBMFYSA-N 487.581 5.594 50 10 JKGE COc1cc(Cl)c(C)cc1-c1csc(C(C#N)=C(O)[C@@H](C)Oc2ccc(Cl)cc2Cl)n1 2331390056 DIELPAFTKXXAHT-GFCCVEGCSA-N 495.815 7.348 50 10 JKGE Cc1cc(C)c(-c2csc(C(C#N)=C(O)Cc3ccc(OCc4ccccc4)cc3)n2)c(C)c1 2331393684 FZRJFOSIQRPBBS-UHFFFAOYSA-N 466.606 7.350 50 10 JKGE COc1c(Cl)cc(-c2csc(C(C#N)=C(O)c3cccc(OCC(C)C)c3)n2)cc1Cl 2331397581 PLZBCXBCLCPFAP-UHFFFAOYSA-N 475.397 7.110 50 10 JKGE COc1ccc(OCC(O)=C(C#N)c2nc(-c3cc(Cl)ccc3Cl)cs2)c(C(C)(C)C)c1 2331404625 VIFQHBAYRGNZNJ-UHFFFAOYSA-N 489.424 7.295 50 10 JKGE COc1cc(C=C(C#N)c2nc(-c3c[nH]c4ccccc34)cs2)ccc1OCc1ccc(C)cc1 2331459962 FVWJEYQBZRYOBA-UHFFFAOYSA-N 477.589 7.252 50 10 JKGE COc1ccc(-c2csc(C(C#N)=Cc3ccc(OCc4ccc(C)cc4)cc3)n2)cc1Cl 2331481109 XZKIDPBVDBDNMC-UHFFFAOYSA-N 472.997 7.424 50 10 JKGE CCCCc1ccc(N2C[C@H](C(=O)Nc3sc(C(C)=CC#N)c(C)c3C(=O)OC)CC2=O)cc1 2331560216 GZEGBZZBZCMLHK-LJQANCHMSA-N 479.602 5.104 50 10 JKGE Cn1nc(Br)c([C@H](Cl)c2c(F)cc(Cl)c(Br)c2Cl)n1 2335362349 ZFBPDJJWXFEEHH-MRVPVSSYSA-N 452.336 5.114 50 10 JKGE Fc1ccc2cc([C@@H](Br)c3sc(Cl)cc3I)sc2c1 2338773153 KUFWTTBDEIPHLZ-GFCCVEGCSA-N 487.584 6.844 50 10 JKGE COc1ccc(Oc2ccnc(Cl)c2CBr)cc1I 2344732700 KWBCEHJJANAOCG-UHFFFAOYSA-N 454.489 5.035 50 10 JKGE CCc1cc(Br)c(OC)c([C@@H](Br)c2csc(Br)c2)c1 2353045932 OLTVVMSJGVAFNX-ZDUSSCGKSA-N 469.036 6.328 50 10 JKGE C[C@@H]1O[C@H](C)[C@H]([C@@H](Br)c2c(Cl)cc(Br)c(F)c2Br)[C@@H]1C 2362231709 YKGXCPZDNMBQMH-GJZAECLPSA-N 493.436 6.500 50 10 JKGE CC1(C)CCCC[C@H]1[C@@H](Br)c1c(Cl)cc(Br)c(F)c1Br 2362254079 KSTKTFWHRATDLW-QPUJVOFHSA-N 491.464 7.657 50 10 JKGE C[C@H](Br)C[C@@H]1CCCCCN1Cc1ccc(Cl)c(I)c1 2362376735 XZHWOMZLYAMLJB-JSGCOSHPSA-N 470.620 5.863 50 10 JKGE COc1c(F)cc([C@@H](Br)c2ccc(Cl)cc2I)cc1F 2370451033 JLQLYJDUDMJAHF-CYBMUJFWSA-N 473.482 5.716 50 10 JKGE ClC[C@@H]1C[C@H]2CCCC[C@H]2N1Cc1ccc(I)c(Br)c1 2377352912 DSJTVUIYQXYRKW-DVOMOZLQSA-N 468.604 5.426 50 10 JKGE Clc1ccc(I)cc1CN1CCC[C@@H]2CC[C@H](Br)C[C@H]21 2380520883 BBWPENVIBXUXDF-PVXIVEMSSA-N 468.604 5.473 50 10 JKGE Cc1ccc(NC(=O)/C(C#N)=C\c2cc(C)n(-c3sc4c(c3C#N)CCCC4)c2C)cc1Cl 33352474 ACKRCKYBSFCZJR-ODLFYWEKSA-N 475.017 6.414 50 10 JKGE N#C/C(=C/c1ccc(-n2nc(-c3ccccc3)cc2-c2ccccc2)cc1)C(=O)Nc1ccc(F)cc1 33568598 UBDPZSAOAMJOOC-PLRJNAJWSA-N 484.534 6.891 50 10 JKGE N#C/C(=C/c1ccc(-c2ccc(Br)cc2)o1)C(=O)NCCc1c[nH]c2ccccc12 33771620 BUZCWELQCJCKPT-AQTBWJFISA-N 460.331 5.456 50 10 JKGE CC(C)(CCl)C(=O)N1CCC[C@@H]1c1nc2cc(-c3ccccc3C(F)(F)F)ccc2o1 34908368 DNAVEBYEOBGZOY-GOSISDBHSA-N 450.888 6.442 50 10 JKGE Cc1cc(C)cc(OCC(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@@H]3c2ccc(C(C)(C)C)cc2)c1 38649824 NIAUROYQRUVKHS-MUUNZHRXSA-N 482.580 5.804 50 10 JKGE CCCCOc1ccccc1[C@@H]1C(C#N)=C(N)Oc2cc(OC(=O)c3ccc(F)cc3)ccc21 38682706 OTXDBWFPAZNTLB-VWLOTQADSA-N 458.489 5.442 50 10 JKGE CCCCCOc1ccccc1[C@H]1C(C#N)=C(N)Oc2cc(OC(=O)Cc3ccc(OC)cc3)ccc21 38686220 NFQMAFWPBQFWRE-GDLZYMKVSA-N 498.579 5.630 50 10 JKGE Cc1ccc2c(C)c(C(=O)Oc3ccc4c(c3)OC(N)=C(C#N)[C@H]4c3ccccc3Cl)oc2c1 38687612 RCYRHGMFHRTGOB-DEOSSOPVSA-N 470.912 6.140 50 10 JKGE Cc1ccc(NC(=O)c2oc3c(c2C)/C(=N/NC(=O)c2ccc(Cl)cc2Cl)CCC3)nc1 40813753 XZIQEWHHWWFNIG-OGLMXYFKSA-N 471.344 5.321 50 10 JKGE CCc1ccc(NC(=O)c2oc3c(c2C)/C(=N/NC(=O)c2ccc4ccccc4n2)CCC3)cc1 40825781 NNMVZTPSCVHXKY-DFKUXCBWSA-N 466.541 5.421 50 10 JKGE COc1ccc(Br)cc1/C=N/NC(=O)COc1ccc(C(C)(C)c2ccccc2)cc1 59160724 OGLGHDBDUDRWCA-JVWAILMASA-N 481.390 5.313 50 10 JKGE CCCCCCCCCCCCCCCCCCNC(=S)N[C@@H]1CS(=O)(=O)C[C@@H]1Cl 59568216 VQNRDDDMHSZYAC-FCHUYYIVSA-N 481.212 6.116 50 10 JKGE CCOc1ccc(N2C(=O)[C@H](Cc3ccc(C)cc3)S/C2=C(/C#N)C(=O)NCc2ccccc2)cc1 101241186 KUCQKYJEXKHNPX-HFVAWESISA-N 497.620 5.136 50 10 JKGE COCCCN1C(=O)C(C#N)=C(C)/C(=C\c2cn(-c3ccccc3)nc2-c2c(C)cc(C)cc2C)C1=O 101335541 SNYCYVGUALTBTD-PCLIKHOPSA-N 494.595 5.093 50 10 JKGE CCOc1cc(/C=C(/C#N)C(=O)Nc2nc3ccccc3s2)ccc1OCc1ccccc1 102443927 SXOCTGWZTDZZTJ-ZHZULCJRSA-N 455.539 5.820 50 10 JKGE CCCCCCCCCCOc1ccc(C(=O)N/N=C2\CCCc3cc(OC)c(OC)cc32)cc1 105635051 QTKWSPQMBDBTDX-URGPHPNLSA-N 480.649 6.694 50 10 JKGE Clc1cc2c(cc1[C@H](Br)c1cccc(I)c1)OCCCO2 109866540 NLTQAULQKJSPJB-MRXNPFEDSA-N 479.539 5.590 50 10 JKGE Cc1ncc(CC(CBr)(CBr)c2cccc(Br)c2)s1 118671937 XBSPDDUQVTXZBO-UHFFFAOYSA-N 468.052 5.484 50 10 JKGE Cc1ccc(C[C@@H](Br)c2cc(Br)c(Br)s2)cc1C 126041224 FWNARLJEBZRKAQ-LLVKDONJSA-N 453.037 6.569 50 10 JKGE O=[N+]([O-])c1ccccc1C[C@@H](Br)c1cc(Br)c(Br)s1 128929500 JFPVFWNUBFXJEG-MRVPVSSYSA-N 469.980 5.860 50 10 JKGE BrCC(CBr)(Cc1cn2ccsc2n1)c1cccc(Br)c1 149648771 UANGCHHFEIQIKU-UHFFFAOYSA-N 493.062 5.429 50 10 JKGE Fc1cc([C@H](Br)c2csc3c(Br)cccc23)ccc1Br 163520510 DGKYWDBQAHKTEO-AWEZNQCLSA-N 479.006 7.050 50 10 JKGE FC(F)(F)C(O[C@H](CI)c1cccc(Br)c1)C(F)(F)F 226032784 DLZFPWBDAFLUQW-MRVPVSSYSA-N 476.980 5.435 50 10 JKGE Brc1ccc([C@H](Br)Cc2nc3ccccc3o2)c(Br)c1 232480270 MPAIQZREKBYGAX-GFCCVEGCSA-N 459.963 6.032 50 10 JKGE CC(C)[Si](O[C@]1(C)C=CO[C@H](C[C@H]2O[Si](C(C)C)(C(C)C)[C@H]2C)[C@@]1(C)O)(C(C)C)C(C)C 248339976 UGWVLRFAANQPJW-UDEADWOUSA-N 484.870 7.545 50 10 JKGE CC(=NNC(=O)CSCc1ccccc1C)c1cccc(NC(=O)c2cccc(Cl)c2)c1 252624709 PTKJXOXXKITYPB-UHFFFAOYSA-N 466.006 5.674 50 10 JKGE Cc1nn(-c2ccccc2)c(N(C2CCCCC2)C2CCCCC2)c1/C=N/NC(=O)c1ccccc1O 253577194 WTPZBVYSYWPGCI-NJZRLIGZSA-N 499.659 6.122 50 10 JKGE CC[C@H](Oc1cccc(Br)c1)C(=O)NN=Cc1ccccc1OCc1cccc(OC)c1 254429717 HTOPYRRIBSSVEC-QHCPKHFHSA-N 497.389 5.344 50 10 JKGE CCn1c(SCC(=O)NN=Cc2ccc(-c3ccccc3)cc2)nnc1-c1ccc(C(C)(C)C)cc1 254518772 CZWMMXZBDVJIDH-UHFFFAOYSA-N 497.668 6.172 50 10 JKGE CC(=NOCC(=O)NN=C1C=C(C(C)(C)C)C(=O)C(C(C)(C)C)=C1)c1ccc(Cl)c(Cl)c1 254679878 RMMXCQYPMLANHJ-UHFFFAOYSA-N 478.420 5.734 50 10 JKGE O=C(NN=Cc1c(F)c(F)c(F)c(F)c1F)c1nc(-c2ccccc2)cc(-c2ccccc2)n1 254734786 KNYZDUPXEWGIJU-UHFFFAOYSA-N 468.385 5.270 50 10 JKGE 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@]12C 254878911 FAKDDMAOMPFPIR-LFSRDZAESA-N 499.607 8.823 50 10 JKGE Cn1ncc([C@H](Br)c2scc(C(F)(F)F)c2Br)c1Br 379221729 UBDJIGQZAZGKAB-LURJTMIESA-N 482.945 5.510 50 10 JKGE Clc1ccc(Oc2cccc(Br)c2CBr)c(Br)c1 394696539 FSPYKYAPNWDPLT-UHFFFAOYSA-N 455.371 6.552 50 10 JKGE Clc1cc([C@@H](Br)Cc2cccc(Br)c2)c(Cl)c(Cl)c1Cl 404659208 PNBMXLFVYJEAMS-JTQLQIEISA-N 477.838 7.741 50 10 JKGE Brc1cc2c(c([C@@H](Br)c3cccc(OCc4ccccc4)c3)c1)OCCC2 688364851 OEDSRMMXPVNASA-QFIPXVFZSA-N 488.219 6.837 50 10 JKGE BrCc1cc(Br)c(OC[C@H]2CC3CCC2CC3)c(Br)c1 691775467 XDDGCJXTPNOACK-KGPNIALWSA-N 467.039 6.312 50 10 JKGE CCn1cc([C@H](Br)c2cc(Br)c(C)cc2OC)nc1Br 698393763 XDYHLOHQADOLPT-CYBMUJFWSA-N 466.999 5.229 50 10 JKGE Cc1sc([C@@H](Br)Cc2ccc(Br)cc2)c(C)c1Br 724928685 QPLVHGZYWLCKOO-LBPRGKRZSA-N 453.037 6.569 50 10 JKGE Cc1sc([C@H](Br)Cc2ccc(Br)cc2F)c(C)c1Br 724934139 IBKIFSIVRCZJFL-LLVKDONJSA-N 471.027 6.708 50 10 JKGE N#C/C(=C\c1cc(Br)c(N2CCCC2)o1)C(=O)Nc1ccc(Cl)c(Cl)c1 1084046587 KLANRRYNUNKELC-YRNVUSSQSA-N 455.139 5.495 50 10 JKGE Cc1ccc(NC(=O)/C(C#N)=C\c2cc(Br)ccc2OCc2cccc(F)c2)c(C)c1 1084392011 ICVOLOBACVJOSQ-NDENLUEZSA-N 479.349 6.330 50 10 JKGE CCOc1cc(/C=C(\C#N)C(=O)Nc2cccc(Cl)c2Cl)ccc1OCc1ccc(F)cc1 1084579875 PQPIRVVUSCYSLU-LDADJPATSA-N 485.342 6.656 50 10 JKGE CC(/C=C\c1ccc2c(c1)OCO2)=NNC(=O)COc1ccc(C(C)(C)CC(C)(C)C)cc1[N+](=O)[O-] 1565517516 HVNMALVLXZRVGD-ZBYWIKNZSA-N 495.576 5.622 50 10 JKGE CCOc1cc(C=NNC(=O)[C@H](C)Oc2ccc(Cl)cc2C)ccc1OC(=O)c1ccccc1 1772719600 CQUGSAHZOXOBQV-SFHVURJKSA-N 480.948 5.184 50 10 JKGE Cc1ccc(C)c(NC(=O)c2oc3c(c2C)C(=NNC(=O)c2ccc(-c4ccccc4)cc2)CCC3)c1 1772747973 UFSOSQHFCWQLRB-UHFFFAOYSA-N 491.591 6.595 50 10 JKGE COc1ccc(-c2nn(Cc3ccc(Cl)cc3)c3c2[C@@H](c2ccc(O)cc2)C(C#N)=C(N)O3)cc1 1865684581 SIWBCCOFKJQRLG-QHCPKHFHSA-N 484.943 5.184 50 10 JKGE Cc1ccc(Cn2nc(-c3ccccc3)c3c2OC(N)=C(C#N)[C@H]3c2cc(Cl)ccc2O)cc1 1865689288 OQFGEMVDJRLBIU-HSZRJFAPSA-N 468.944 5.484 50 10 JKGE Cc1ccc(COc2ccc([C@@H]3C(C#N)=C(N)Oc4c3c(C)nn4Cc3cc(C)ccc3C)cc2)cc1 1865693018 KPIBWTHGNHEDLH-GDLZYMKVSA-N 490.607 5.962 50 10 JKGE CCCc1nn(-c2ccc(Cl)c(Cl)c2)c2c1[C@@H](c1cccc(OC)c1OCC)C(C#N)=C(N)O2 1865693933 SCAZVZUUBNZAFL-NRFANRHFSA-N 499.398 5.757 50 10 JKGE CCCc1nn(-c2ccc(Cl)cc2)c2c1[C@@H](c1ccc(OC(C)C)c(OC)c1)C(C#N)=C(N)O2 1865696581 IDCQCSBKQOGJPW-QHCPKHFHSA-N 478.980 5.492 50 10 JKGE CCN(Cc1ccccc1)c1ccc([C@H]2C(C#N)=C(N)Oc3c2c(C)nn3Cc2ccccc2)cc1 1865706617 AUDYCCQJYBGOGZ-NDEPHWFRSA-N 475.596 5.485 50 10 JKGE Cc1ccccc1[C@@H]1C(C#N)=C(N)Oc2c1c(-c1ccccc1)nn2Cc1ccccc1Cl 1865712708 GBCHKODJJVQDNG-HSZRJFAPSA-N 452.945 5.778 50 10 JKGE Cc1ccc2nc(-c3ccc(NC(=O)/C(C#N)=C/c4cccc(Br)c4)cc3)sc2c1 1866131842 PTGWMTZKTDIIGD-LDADJPATSA-N 474.383 6.580 50 10 JKGE CCCC[C@@H](NC(=O)Cc1nc(-c2cccc(OC)c2)oc1C)C(=O)Nc1ccc(SC#N)cc1 1866674522 RPNRKKMZHWWZBP-JOCHJYFZSA-N 492.601 5.088 50 10 JKGE CC[C@H](C)N1C(=O)c2ccc(/C(O)=C(\C#N)c3nc(-c4ccc([N+](=O)[O-])cc4)cs3)cc2C1=O 1872746900 FEBPTXPOJNWYIT-OMEIHDDLSA-N 474.498 5.063 50 10 JKGE Cc1cc(C)c(C)c(-c2csc(/C(C#N)=C(\O)CNC(=O)c3ccc(C(C)(C)C)cc3)n2)c1C 1872754280 LDTDUZACEAQKST-GYHWCHFESA-N 473.642 6.564 50 10 JKGE COc1ccc(Cl)cc1-c1csc(/C(C#N)=C(\O)[C@@H](C)Oc2ccc(C(C)C)cc2)n1 1872758580 HMJOHZXQHDZXJI-LYLVPTPKSA-N 454.979 6.856 50 10 JKGE CCCOc1c(/C=C(\C#N)c2nc(-c3ccc(Br)cc3)cs2)cccc1OC 1872780498 AXSXVIMQICYWDU-SFQUDFHCSA-N 455.377 6.434 50 10 JKGE COc1ccc(C(C)(C)C)cc1-c1csc(/C(C#N)=C/c2cccc(OCc3ccccc3)c2)n1 1872793234 OWHMPVZIODYKLL-HZHRSRAPSA-N 480.633 7.759 50 10 JKGE CCOc1ccc(CC/C(O)=C(\C#N)c2nc(-c3cccc([N+](=O)[O-])c3)cs2)cc1OC 1873940754 GAEDXLPAPHXSHN-ZZEZOPTASA-N 451.504 5.551 50 10 JKGE CCc1ccc(S(=O)(=O)N(Cc2ccccc2)Cc2ccccc2)cc1CBr 1885383079 POZVUGTWJFTKCK-UHFFFAOYSA-N 458.421 5.535 50 10 JKGE FC1(F)[C@@H]2CC[C@H]([C@H](Br)c3cc(Br)c(Br)s3)[C@@H]21 1905705494 JWPWQDCHOANBOJ-MKTOGPLKSA-N 450.968 6.000 50 10 JKGE Cc1c(Br)sc([C@H](Br)c2cccc(OC(F)F)c2)c1Br 1922881621 DKDJYJWTKLQLSP-SNVBAGLBSA-N 490.989 6.667 50 10 JKGE CCCCCCCCCCC[C@@H](Br)c1sc(Br)cc1Br 1922890585 FHRPPARKFJAQJL-CYBMUJFWSA-N 489.155 8.630 50 10 JKGE COc1cc([C@H](Br)c2sc(Br)c(C)c2Br)ccc1C 1922903532 XVYXWTVDSULSBJ-LBPRGKRZSA-N 469.036 6.383 50 10 JKGE Cc1c(Br)sc([C@@H](Br)c2c(Cl)cnn2C)c1Br 1922907101 PZUOEPKYXWXVLH-ZETCQYMHSA-N 463.420 5.453 50 10 JKGE Clc1c(Br)sc(Br)c1[C@H](Br)[C@@H]1COc2ccccc21 1923068544 TUGUUFHNXUYNNB-GMSGAONNSA-N 487.438 6.539 50 10 JKGE C[C@@H](C[C@@H](Br)c1c(Br)sc(Br)c1Cl)C(F)F 1923075122 XBPQUOJTXUPBRQ-IUYQGCFVSA-N 461.391 6.654 50 10 JKGE C[C@@H](c1ccncc1Br)[C@@H](Br)c1ccc(Br)cc1Cl 1924037732 BNHPNEVUULEGEO-RMLUDKJBSA-N 468.414 6.500 50 10 JKGE C[C@H](c1ccncc1Br)[C@H](Br)c1ccc(Cl)c(Br)c1 1924042265 ZIXHEDNLMAEVOQ-CLAHSXSESA-N 468.414 6.500 50 10 JKGE CC[C@H](C(C)C)[C@H](Br)c1c(Br)sc(Br)c1Br 1924613374 IHPKKPFEMOCSJC-SVRRBLITSA-N 497.916 7.154 50 10 JKGE COc1ccc(Br)cc1[C@@H](Br)c1cscc1OCc1ccccc1 1950319846 JEBNAPSCZWVPFK-LJQANCHMSA-N 468.210 6.583 50 10 JKGE C[C@@H]1C[C@H](C[C@@H](Cl)c2c(Br)sc(Br)c2Br)CO1 1997176859 ZTBJNEUNHZAXJL-FSDSQADBSA-N 467.448 6.131 50 10 JKGE CC1(C)CO[C@@H]([C@@H](Br)c2c(Br)sc(Br)c2Cl)C1 2001535803 RCBIVJHGKGFPBG-IYSWYEEDSA-N 467.448 6.178 50 10 JKGE Cc1sc(Br)cc1[C@@H](Br)c1cc(I)ccc1F 2003649955 PLABDBDLBAYKBE-GFCCVEGCSA-N 489.973 6.047 50 10 JKGE CCc1sc(Br)cc1[C@H](Br)c1ccc(Br)cc1C 2030220482 LNGQFONRHLYEIH-CQSZACIVSA-N 453.037 6.628 50 10 JKGE Cc1sc(Br)c([C@H](Cl)c2sc(Br)c(C)c2Br)c1C 2039504179 WNLKIPCGOVCMHJ-VIFPVBQESA-N 493.511 7.351 50 10 JKGE N#CC(=Cc1cc(Br)ccc1OCc1ccccc1)c1nc(O)c2ccccc2n1 2040488277 NLPRUVKSIDVKMJ-UHFFFAOYSA-N 458.315 5.741 50 10 JKGE COc1cc(C=C(C#N)c2nc(-c3ccc(Cc4ccccc4)cc3)cs2)cc(OC)c1OC 2053612843 QTOUPBSFMDZVBB-UHFFFAOYSA-N 468.578 6.491 50 10 JKGE COc1c(Br)cc(C)cc1[C@H](Br)c1sccc1Br 2083446364 OELKKYGSXDAEBA-NSHDSACASA-N 455.009 6.074 50 10 JKGE COc1ccc([C@H](CNC(=O)C(C#N)=Cc2ccccc2)c2c[nH]c3ccccc23)cc1OC 2085328953 BUPKRBWXMMGQDA-QHCPKHFHSA-N 451.526 5.040 50 10 JKGE Cn1ncc(Br)c1COc1c(Br)cc(Br)cc1CCl 2087325822 UTWBDYRWMDCKGQ-UHFFFAOYSA-N 473.390 5.025 50 10 JKGE Clc1ccc(C[C@H](Br)c2c(Br)cccc2Br)cc1Cl 2094097641 DULZJIAMZXCXTL-NSHDSACASA-N 487.844 7.197 50 10 JKGE BrC[C@]12CCC[C@H]1CN(Cc1ccc(Br)cc1Br)C2 2103172735 PBGDDKVVKNQOSE-WFASDCNBSA-N 452.028 5.209 50 10 JKGE O=C(c1csc(Br)c1Br)N1CC2(CBr)CCC1CC2 2122355911 IVBRWRGNQITHOP-UHFFFAOYSA-N 472.040 5.053 50 10 JKGE CN(CCCOCc1ccccc1)S(=O)(=O)c1cc(Cl)cc(CBr)c1Cl 2123269640 SCVCYWRGLJZNHD-UHFFFAOYSA-N 481.239 5.116 50 10 JKGE FC1(F)C[C@]12CC[C@@H]([C@@H](Br)c1ccc(Br)cc1Br)C2 2138859184 AOSQQAPXPNFXSQ-BZHVJNSISA-N 458.966 6.473 50 10 JKGE FC1(F)CCCCC[C@@H]1[C@H](Br)c1ccc(Br)cc1Br 2138873798 QQZBCDHWRPYBNK-DGCLKSJQSA-N 460.982 6.863 50 10 JKGE COc1c(Br)cc(C)cc1[C@@H](Cl)c1scc(Br)c1Br 2139000661 HMTMURYQGUGDAA-LLVKDONJSA-N 489.454 6.681 50 10 JKGE Cc1c(Br)sc([C@@H](Br)[C@H]2C[C@H]3COC[C@H](C3)C2)c1Br 2141802648 RLOFGKIMOWYWMM-WYFGTUCQSA-N 473.068 6.080 50 10 JKGE CO[C@@H](COc1c(Br)cc(CBr)cc1Br)C1CCCC1 2150298750 PLYDFKWGFMVTLA-AWEZNQCLSA-N 471.027 5.691 50 10 JKGE CC(C)(C)C1(COc2c(Br)cc(Br)cc2CBr)CCC1 2191962075 VCLGXBHXFQJNKF-UHFFFAOYSA-N 469.055 6.702 50 10 JKGE Brc1ccc([C@H](Br)C2CC3(C2)CC2(CCC2)C3)c(Br)c1 2203694140 SHNKHBANBGHBQN-OAHLLOKOSA-N 463.051 7.008 50 10 JKGE ClCc1c(Cl)nc(Cl)n1-c1ccc(Br)cc1I 2217117722 ZRBCGGNSYIDPCR-UHFFFAOYSA-N 466.331 5.285 50 10 JKGE Cc1cc([C@H](Br)c2cc(Br)c(Br)cc2F)sc1C 2218597271 LBWSNEPWLGFDKW-CYBMUJFWSA-N 457.000 6.513 50 10 JKGE Clc1cccc([C@@H](Cl)Cc2sc(Br)c(Br)c2Br)c1 2222473928 UVDHAUWMFSUIKI-QMMMGPOBSA-N 493.873 7.212 50 10 JKGE CC[C@]12CO[C@]([C@H](Br)c3c(Br)cc(Cl)c(Cl)c3Cl)(C1)C2 2232520541 OZJMXSIIDMLANX-MCIONIFRSA-N 463.424 6.805 50 10 JKGE Fc1cc(Br)c(Br)cc1[C@H](Br)C(F)(F)C1CCCCC1 2233976630 PRRPNBZFZJNVOY-ZDUSSCGKSA-N 478.972 7.002 50 10 JKGE Cc1cc([C@@H](Br)c2c(F)cc(F)c(Br)c2F)ccc1Br 2236109430 JSAUMNWNCWSKJW-GFCCVEGCSA-N 472.924 6.422 50 10 JKGE FC1(F)C[C@@H]([C@@H](Br)c2sc(Br)cc2Br)C12CCC2 2254861393 OODOUYVAXLVTDC-IMTBSYHQSA-N 464.995 6.535 50 10 JKGE O=C(Nc1cccc(CBr)c1)c1ccc(Cl)c(I)c1 2268349471 QBDLQOMKULRDTQ-UHFFFAOYSA-N 450.501 5.092 50 10 JKGE Cc1cc([C@@H](Br)c2c(F)cc(Br)c(F)c2Br)sc1C 2272849981 OZUPEMGGSPXLLS-LLVKDONJSA-N 474.990 6.652 50 10 JKGE C[C@@H]1C[C@@H]2C[C@@H]2C[C@@H]1[C@H](Br)Cc1cc(Br)cc(Br)c1 2277950353 VCRUXYUWQVPEAX-IKNRFXQBSA-N 451.040 6.200 50 10 JKGE Brc1cc(Br)cc(C[C@@H](Br)C2(CC3CCC3)CC2)c1 2277957942 YUGQVFPRUJNQRB-OAHLLOKOSA-N 451.040 6.488 50 10 JKGE Brc1cc(Br)cc(C[C@@H](Br)C[C@H]2C[C@H]3CC[C@H]2C3)c1 2277960174 FIUCLRQMWMHRPH-SCUASFONSA-N 451.040 6.344 50 10 JKGE COc1c(Br)cc(Cl)c(C)c1[C@@H](Cl)c1cscc1OCc1ccccc1 2277992594 IJNKAMRVPLYMOE-IBGZPJMESA-N 472.231 7.388 50 10 JKGE Brc1cccc(Br)c1CN1CCC2(CC[C@@H](Br)C2)CC1 2287986246 FNKMNYBCMNMDAS-GFCCVEGCSA-N 466.055 5.741 50 10 JKGE Cc1nn(C)c([C@H](Cl)c2c(F)cc(Br)c(F)c2Br)c1Br 2288486286 GMWSBADGCPHJGU-SNVBAGLBSA-N 493.371 5.622 50 10 JKGE BrCc1cc(Br)cc(Br)c1OC[C@]12CCCC[C@H]1CC2 2289150775 AQMFKFJYEHOMHT-BLLLJJGKSA-N 467.039 6.456 50 10 JKGE CCCCOc1ccc(C=C(C#N)C(=O)Nc2ncc(Cc3ccc(F)cc3)s2)cc1OC 2293038725 WNJBWJFTLUIKSV-UHFFFAOYSA-N 465.550 5.606 50 10 JKGE COc1ccc(Cl)cc1-n1c(C)cc(C=C(C#N)C(=O)Nc2cc(Cl)ccc2C)c1C 2294171916 JHVHTQVANWMRAQ-UHFFFAOYSA-N 454.357 6.264 50 10 JKGE C[C@H](Br)CC(C)(C)CNC(=O)Cc1cc(Br)cc(Br)c1 2295307711 NSWXWNQLLFHPOI-JTQLQIEISA-N 470.043 5.070 50 10 JKGE COc1c(Br)cc([C@@H](Br)c2ccoc2Br)c(OC)c1C 2295432486 IGBMSANFRGQXHV-NSHDSACASA-N 468.967 5.615 50 10 JKGE N#CC(=Cc1cc2ccccc2nc1Cl)c1nc(-c2ccc(Br)cc2)cs1 2297212664 WNHHHMLSEOTKCR-UHFFFAOYSA-N 452.764 6.838 50 10 JKGE Cc1cccn2c(=O)c(C=C(C#N)c3nc4ccccc4n3C)c(Oc3ccc(C(C)(C)C)cc3)nc12 2297318714 KZCDLNIVBBESDJ-UHFFFAOYSA-N 489.579 6.044 50 10 JKGE COc1cc(C=C(C#N)C(=O)Nc2cccc([N+](=O)[O-])c2)ccc1OCc1c(Cl)cccc1Cl 2313676615 KSKLPFIKIXHHJQ-UHFFFAOYSA-N 498.322 6.035 50 10 JKGE CCN(C[C@](C)(CI)OC(CC(C)C)CC(C)C)C(=O)OC(C)(C)C 2313680768 URIHHCXHGLQKSX-FQEVSTJZSA-N 469.448 5.915 50 10 JKGE CCOc1ccc(NC(=O)C(C#N)=Cc2ccccc2OCc2ccc(Cl)c(Cl)c2)cc1 2313738880 WBIVTIFTXPDJDK-UHFFFAOYSA-N 467.352 6.517 50 10 JKGE CCc1ccc(N2C(=O)[C@H](Cc3ccc(C)cc3)SC2=C(C#N)C(=O)Nc2ccccc2)cc1 2314593227 JXKUAHGFKLZZGN-VWLOTQADSA-N 467.594 5.622 50 10 JKGE COc1cc(C=C(C#N)C(=O)NCc2ccccc2)ccc1OC(=O)COc1cc(C)ccc1C(C)C 2314737167 PQRMHPYXKHBPCO-UHFFFAOYSA-N 498.579 5.335 50 10 JKGE Cc1ccc(-c2ccc(C(=O)NNC(=O)C=Cc3ccc(OCc4ccccc4)cc3)c(C)n2)cc1 2321124160 UZGAANQOSNJARW-UHFFFAOYSA-N 477.564 5.419 50 10 JKGE CCCOc1ccc(-c2csc(C(C#N)=C(O)CCCOc3ccc(C(C)(C)C)cc3)n2)cc1 2331318257 PATGWWRNNDNHCP-UHFFFAOYSA-N 476.642 7.548 50 10 JKGE COc1ccc(C(O)=C(C#N)c2nc(-c3cc(C(C)C)c(OC)cc3C)cs2)cc1OC 2331352128 IXPCAMSZHNQLQS-UHFFFAOYSA-N 450.560 6.218 50 10 JKGE CC[C@H](C)N1C(=O)c2ccc(C(O)=C(C#N)c3nc(-c4ccc(OC)cc4OC)cs3)cc2C1=O 2331385774 IRPJRFQSKZFMSR-AWEZNQCLSA-N 489.553 5.172 50 10 JKGE COc1c(C)cc(Cl)cc1-c1csc(C(C#N)=C(O)[C@@H]2CC(=O)N(Cc3ccccc3)C2)n1 2331391754 APNGDARQMYJFDK-QGZVFWFLSA-N 479.989 5.622 50 10 JKGE Cc1cc(Br)c(C)c([C@@H](Br)[C@@H]2C[C@@H]3CC[C@H]2O3)c1Br 2332925876 SPFBUWXGXWFFGJ-MAWWSGROSA-N 453.012 5.832 50 10 JKGE Cc1cc(Br)c([C@H](Br)[C@@H]2C[C@H]3CC[C@@H]2O3)c(C)c1Br 2333708230 FAGKEUUPFMLRGS-DSKWVYQCSA-N 453.012 5.832 50 10 JKGE Brc1ccc(OCc2ccccc2)c([C@H](Br)[C@H]2C[C@H]2C2CCOCC2)c1 2336040321 DXNVXKACTXRSKV-CNNODRBYSA-N 480.240 6.527 50 10 JKGE CCC[C@H]1CN(Cc2ccc(Cl)c(I)c2)C[C@@H]1CBr 2337217984 CZUKRDXARZJCBO-STQMWFEESA-N 456.593 5.188 50 10 JKGE C=CC[C@]1(CBr)CCN(Cc2ccc(Cl)cc2I)C1 2341035344 PDOCLLVKVPABDV-OAHLLOKOSA-N 454.577 5.108 50 10 JKGE Cc1ccc(Cl)cc1[C@@H](Br)c1c(F)cc(Cl)c(Br)c1Cl 2360493840 SALGSSROUFAJRR-GFCCVEGCSA-N 461.383 7.341 50 10 JKGE FC(F)(F)C1([C@H](Cl)c2ccc(OCc3ccccc3)cc2Br)CCOCC1 2361174371 XQIYYQLCDFLZTN-GOSISDBHSA-N 463.721 6.667 50 10 JKGE Fc1c(Br)cc(Cl)c([C@H](Br)[C@@H]2CO[C@@H]3COC[C@H]32)c1Br 2362234072 FHUMTQYQKZQULI-WQRVWIMNSA-N 493.392 5.102 50 10 JKGE CC(C)(C)C[C@H](CBr)CNC(=O)c1ccc(Cl)cc1I 2365598789 RWQMJMRODMSJAO-SNVBAGLBSA-N 472.592 5.122 50 10 JKGE FC(F)(F)[C@@H]1[C@@H](Br)CCCN1Cc1ccc(Br)cc1Br 2370303596 NYFQTKOQDRTXSR-JQWIXIFHSA-N 479.960 5.502 50 10 JKGE Clc1ccc(I)cc1CN1CCC2(CC[C@@H](Br)C2)CC1 2380530809 HMCLJEPSLQCZSY-CYBMUJFWSA-N 468.604 5.474 50 10 JKGE N#CC(C(=O)NCc1ccco1)=C(SCc1ccc(Cl)cc1)SCc1ccc(Cl)cc1 3052468 DSCMINUDAICCOF-UHFFFAOYSA-N 489.449 6.805 50 10 JKGE CCCCCCOc1ccc(-c2nn(-c3ccccc3)cc2/C=C(/C#N)C(=O)NCCOC)cc1 35123771 GOWMXLFFGLTDBN-NMWGTECJSA-N 472.589 5.168 50 10 JKGE CCCCOc1ccc(-c2nn(-c3ccccc3)cc2/C=C(\C#N)C(=O)NC2CCCCC2)c(C)c1 35228643 ACIAFMACRRIXSA-FCDQGJHFSA-N 482.628 6.383 50 10 JKGE COc1cc(/C=C(\C#N)c2nc(-c3ccc(F)cc3)cs2)ccc1OCC(=O)Nc1nccs1 35520010 FQIGONBUUTUFFU-LICLKQGHSA-N 492.557 5.496 50 10 JKGE CCCCOc1ccc(C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@@H]3c2ccc(C(C)C)cc2)cc1 38649511 NJIDUNPZMQHHRY-MUUNZHRXSA-N 482.580 6.426 50 10 JKGE CC(C)COc1ccc(C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@H]3c2ccc(F)cc2)cc1 38652851 ZBBIRYHQVXQXNL-VWLOTQADSA-N 458.489 5.298 50 10 JKGE CCCCC1CCC(C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@H]3c2ccc([N+](=O)[O-])cc2)CC1 38688255 FAXCKXRGJTWUID-HGEUABKPSA-N 475.545 5.715 50 10 JKGE CCOC(=O)c1ccc(NC(=O)/C(C#N)=C/c2ccc3noc(-c4ccc(Cl)cc4)c3c2)cc1 39884907 RWEJJTUABLNZIS-CPNJWEJPSA-N 471.900 5.871 50 10 JKGE CCc1ccc(OC(=O)c2oc3c(c2C)/C(=N/NC(=O)c2ccc(Cl)c([N+](=O)[O-])c2)CCC3)cc1 40813498 VCLJIUUFRFGDJE-ZXVVBBHZSA-N 495.919 5.402 50 10 JKGE Cc1c(C(=O)N2CCCC[C@H]2C)oc2c1/C(=N/NC(=O)C(c1ccccc1)c1ccccc1)CCC2 40815406 HEQNDXJVPUUROO-VKSSETJLSA-N 483.612 5.591 50 10 JKGE Cc1c(C(=O)Oc2cccc3ccccc23)oc2c1/C(=N/NC(=O)Cc1ccccc1)CCC2 40815862 PZDIWYYTAPQXLX-QUPMIFSKSA-N 452.510 5.360 50 10 JKGE O=C(N/N=C/c1cc(Cl)cc(Cl)c1O)c1[nH]c(-c2ccccc2)cc1-c1ccccc1 59449440 MILAZSAGDYIHHF-MZJWZYIUSA-N 450.325 6.125 50 10 JKGE COC(=O)c1cc(-c2ccccc2)sc1NC(=O)/C(C#N)=C\c1c(C)nn(-c2ccccc2)c1C 96504440 JXTWNRNQWWITLN-ZHZULCJRSA-N 482.565 5.550 50 10 JKGE COc1ccc([C@H](C(=O)NC2CCCCCC2)N(CCc2ccc(Cl)cc2)C(=O)CCl)cc1 97915007 NJTMTOGLCMRWJV-RUZDIDTESA-N 491.459 5.539 50 10 JKGE COc1cccc(CS/C(Nc2c(C)cc(C)cc2C)=C(/C#N)S(=O)(=O)c2ccccc2)c1 104689496 WPWQFEPRMLDAGD-LCUIJRPUSA-N 478.639 6.132 50 10 JKGE Fc1cccc(C(CBr)(CBr)Cc2ccc(Cl)cc2Cl)c1 118877679 ZQSGAZOLHLCIFF-UHFFFAOYSA-N 454.992 6.403 50 10 JKGE Cl[C@H](c1csc(I)c1)c1cc2c(cc1Br)OCCCO2 124396867 NBTGJLULOIHKNX-CQSZACIVSA-N 485.568 5.605 50 10 JKGE Cc1ccc([C@@H](Cl)c2cc(Br)ccc2Br)cc1Br 130409726 AJTVDGDNOFHGIR-CQSZACIVSA-N 453.399 6.611 50 10 JKGE O=C(c1ccccc1)C(P(c1ccccc1)c1ccccc1)P(c1ccccc1)c1ccccc1 196620657 ZDIGPDZPPOIYGM-UHFFFAOYSA-N 488.507 6.461 50 10 JKGE N#C/C(=C/NCCc1ccccc1Br)C(=O)NC1CCCCCCCCCCC1 217260174 FXHZTQRYDIGCQX-VZCXRCSSSA-N 460.460 5.778 50 10 JKGE COc1cccc2cc(C(=O)NN=Cc3c(OCc4ccc(F)cc4)ccc4ccccc34)oc12 254576743 AHYNNKMDKMXIOA-UHFFFAOYSA-N 468.484 6.077 50 10 JKGE O=C(Cn1c2ccccc2c(=O)c2ccccc21)NN=Cc1c2ccccc2cc2ccccc12 254800336 GWAAZROQVQUAMH-UHFFFAOYSA-N 455.517 5.611 50 10 JKGE Brc1ccc(C[C@@H](Br)c2cc3c(cc2Br)OCC3)cc1 308422612 ZCQKSUZOGLHKAJ-CQSZACIVSA-N 460.991 5.825 50 10 JKGE Fc1ccc(Br)cc1[C@H](Br)c1cc(Cl)c(Cl)c(Cl)c1Cl 404649896 JDXASNYNSQXVMB-JTQLQIEISA-N 481.801 7.686 50 10 JKGE Clc1cc([C@H](Br)Cc2cccc(Br)c2)c(Cl)c(Cl)c1Cl 404659209 PNBMXLFVYJEAMS-SNVBAGLBSA-N 477.838 7.741 50 10 JKGE Clc1ccc(I)c(C[C@H]2CCc3ccccc3[C@@H]2Br)c1 405349815 TVUJPWBWHBKDGC-SJKOYZFVSA-N 461.568 6.186 50 10 JKGE N#CSc1ccc(NC(=O)Nc2cccc(C(=O)N3CCN(c4ccccc4F)CC3)c2)cc1 586717950 QMNYSLPVCSSSJQ-UHFFFAOYSA-N 475.549 5.005 50 10 JKGE Brc1ccc([C@@H](Br)c2cc(Br)c3c(c2)CCCO3)cc1 689539380 DAUCQFICFAAKBB-OAHLLOKOSA-N 460.991 6.021 50 10 JKGE Fc1ccc([C@@H](Br)c2ccc(OCc3ccccc3)cc2)c(F)c1Br 691516412 WUYLGMRZKOJCOO-SFHVURJKSA-N 468.135 6.791 50 10 JKGE Clc1cc([C@@H](Br)c2ncsc2Br)sc1Br 698610813 QIBGHTQORKZHBD-RXMQYKEDSA-N 452.418 5.867 50 10 JKGE CCC(CC)CNC(=O)[C@@H](c1cccs1)N(C(=O)CCl)c1cccc(C(F)(F)F)c1 725238793 XFERQOMWONUWOY-LJQANCHMSA-N 460.949 5.632 50 10 JKGE Cc1cc(/C=C(\C#N)C(=O)Nc2cccc(Cl)c2Cl)c(C)n1-c1cc(C(=O)O)ccc1Cl 1083971942 QCDFVSRQLQDXGD-CXUHLZMHSA-N 488.758 6.298 50 10 JKGE CCOc1ccc([C@@H](O)CCC(=O)NN=Cc2ccccc2OCc2ccccc2Cl)cc1 1084016686 AVRBHZAEMZUVPM-DEOSSOPVSA-N 466.965 5.282 50 10 JKGE Cc1ccc(-n2c(C)cc(C=NNC(=O)C(=O)Nc3ccc(OCc4ccccc4)cc3)c2C)c(C)c1 1084057156 JJYTZYSLEBQYLG-UHFFFAOYSA-N 494.595 5.379 50 10 JKGE O=C(NN=Cc1ccc(OCc2c(Cl)cccc2Cl)cc1)c1ccccc1-n1cccc1 1084152675 UWRHRBOXUVIKND-UHFFFAOYSA-N 464.352 6.127 50 10 JKGE CCCCCCCCCCOc1ccc(C(=O)NN=Cc2ccc3c(c2)Cc2ccccc2-3)cc1 1084152730 UDKNOCAUJSZSJZ-UHFFFAOYSA-N 468.641 7.541 50 10 JKGE COc1cc(C=NNC(=O)COc2ccccc2C(C)(C)C)ccc1OCCc1ccccc1 1772753777 IKGFQLQYKHJLBG-UHFFFAOYSA-N 460.574 5.143 50 10 JKGE N#CC1=C(N)Oc2c(c(C(F)(F)F)nn2-c2ccc(Cl)c(Cl)c2)[C@@H]1c1cccc(O)c1 1865681059 DEJYEPMCBGTWPW-OAHLLOKOSA-N 467.234 5.122 50 10 JKGE Cc1ccc(Cn2nc(C(F)(F)F)c3c2OC(N)=C(C#N)[C@@H]3c2c(F)cccc2Cl)cc1 1865685585 KOPZIMMLGZYQDM-MRXNPFEDSA-N 462.834 5.269 50 10 JKGE CCCOc1ccc([C@@H]2C(C#N)=C(N)Oc3c2c(C)nn3Cc2ccc(Cl)cc2)cc1OCC 1865688135 KERJXFXAAJNYJD-XMMPIXPASA-N 478.980 5.299 50 10 JKGE CCOc1cccc([C@@H]2C(C#N)=C(N)Oc3c2c(CC)nn3-c2ccc(Cl)c(Cl)c2)c1 1865690587 WEOIFHANUIJIRG-HXUWFJFHSA-N 455.345 5.358 50 10 JKGE C=CCOc1ccccc1[C@H]1C(C#N)=C(N)Oc2c1c(CCC)nn2-c1cccc2ccccc12 1865691669 YDFZXVFHRXEUFH-SANMLTNESA-N 462.553 5.761 50 10 JKGE CCCc1nn(CCC)c2c1[C@@H](c1ccc(OCCCc3ccccc3)c(OC)c1)C(C#N)=C(N)O2 1865696103 CEENFXUAEYEWEV-SANMLTNESA-N 486.616 5.484 50 10 JKGE CCCCCCOc1ccc([C@@H]2C(C#N)=C(N)Oc3c2c(CCC)nn3CCC)cc1OC 1865696762 QXVZOXUEXRVOGD-HSZRJFAPSA-N 452.599 5.431 50 10 JKGE CCCc1nn(Cc2ccc(Cl)c(Cl)c2)c2c1[C@@H](c1ccc(C(=O)OC)cc1)C(C#N)=C(N)O2 1865708540 AURDGBAZPGVQTB-NRFANRHFSA-N 497.382 5.195 50 10 JKGE CCOc1ccc(/C=C/C(=O)NNC(=O)c2ccc(-c3ccc(Cl)cc3Cl)nc2C)cc1 1865759855 VRPNFFPEEYILAQ-AWNIVKPZSA-N 470.356 5.237 50 10 JKGE C/C(=C\c1ccccc1Cl)C(=O)N[C@H](C(=O)Nc1ccc(SC#N)cc1)c1ccccc1 1866820335 QBPHMDFHTHBGKL-GGJDQLKOSA-N 461.974 5.813 50 10 JKGE CCC[C@@H](NC(=O)Cc1nc(-c2ccc(C(C)C)cc2)oc1C)C(=O)Nc1ccc(SC#N)cc1 1867183812 ZLSQOWOKUPFMIJ-HSZRJFAPSA-N 490.629 5.813 50 10 JKGE COc1ccc(C(=O)C2CCN(c3cc(Nc4ccc(SC#N)cc4)nc(C)n3)CC2)cc1C 1868480541 OJQKPHJYXOUVSO-UHFFFAOYSA-N 473.602 5.518 50 10 JKGE COc1cc(/C=C(\C#N)c2nc3ccccc3s2)ccc1OCc1c(Cl)cccc1Cl 1872726748 FKXDKDPTXAWSFK-LFIBNONCSA-N 467.377 7.255 50 10 JKGE CC[C@H](C)N1C(=O)c2ccc(/C(O)=C(\C#N)c3nc(-c4ccc(OC)c(OC)c4)cs3)cc2C1=O 1872745580 UHBKNRYHWCHFNN-QETBKQIWSA-N 489.553 5.172 50 10 JKGE CCOc1ccc(-c2csc(/C(C#N)=C(\O)[C@@H](C)Oc3ccc(Cl)cc3Cl)n2)cc1 1872747727 RHDRZZTVBQZZTC-PWNVGIJBSA-N 461.370 6.776 50 10 JKGE CCOc1ccc(-c2csc(/C(C#N)=C(\O)c3ccccc3I)n2)cc1 1872747751 SFHXAPFXDZUOGL-MNDPQUGUSA-N 474.323 5.763 50 10 JKGE CC(C)C[C@H](/C(O)=C(\C#N)c1nc(-c2ccc(C(C)(C)C)cc2)cs1)N1C(=O)c2ccccc2C1=O 1872751049 RETGZDQNFGKUDD-FOSWXRMZSA-N 499.636 6.611 50 10 JKGE N#C/C(=C(/O)c1c(Cl)ccc(Cl)c1Cl)c1nc(-c2cccc3ccccc23)cs1 1872752048 KRPIOXFGRWUMBZ-QNGOZBTKSA-N 457.769 7.873 50 10 JKGE N#C/C(=C(/O)CCCOc1ccc(Cl)cc1Br)c1nc(-c2ccc(F)cc2)cs1 1872753218 MPPNVQONSRCWNG-MNDPQUGUSA-N 493.785 7.017 50 10 JKGE Cc1cc(C)c(-c2csc(/C(C#N)=C(\O)c3cc([N+](=O)[O-])cc([N+](=O)[O-])c3C)n2)c(C)c1 1872755840 ITQPPCREGCARPO-FXBPSFAMSA-N 450.476 5.810 50 10 JKGE CCc1ccc(-c2csc(/C(C#N)=C/c3ccc(OCc4ccc(Cl)cc4)cc3)n2)cc1 1872781392 CMDZHCFTVNXGTO-HZHRSRAPSA-N 456.998 7.669 50 10 JKGE CCCOc1ccc(-c2csc(/C(C#N)=C/c3c(F)cccc3Cl)n2)cc1OCCC 1872789964 BFNGVZQLQPCNNI-SFQUDFHCSA-N 456.970 7.244 50 10 JKGE CCCOc1ccc(-c2csc(/C(C#N)=C(\O)c3cc([N+](=O)[O-])ccc3Cl)n2)cc1OCCC 1872817971 GBXIGDPGTLAERZ-NKFKGCMQSA-N 499.976 6.899 50 10 JKGE COc1ccc(OC)c(-c2csc(/C(C#N)=C(\O)C(c3ccccc3)c3ccccc3)n2)c1 1873920988 OTFSKIQOMVUFAY-ROMGYVFFSA-N 454.551 6.452 50 10 JKGE C[C@H](CCBr)N(Cc1ccccc1)S(=O)(=O)c1c(Cl)cccc1Br 1915094970 PSDOWUXYFJYPEC-CYBMUJFWSA-N 495.664 5.467 50 10 JKGE C[C@H](CCBr)N(Cc1ccccc1)C(=O)c1csc(I)c1 1915104941 FEQBNCCEVFHKPX-GFCCVEGCSA-N 478.193 5.169 50 10 JKGE CC(C)[C@@H](CBr)N(Cc1ccccc1)Cc1cccc(Cl)c1Br 1915294993 FMEBHTHCWPPBLK-GOSISDBHSA-N 459.653 6.524 50 10 JKGE Cc1sc(C)c(S(=O)(=O)N(Cc2ccccc2)C(C)(C)CCl)c1Br 1915760699 RQVCVDCQBSHREB-UHFFFAOYSA-N 450.851 5.336 50 10 JKGE Fc1c(Cl)cccc1[C@@H](Br)c1sc(Br)cc1Br 1922934934 LBHJNCYVYYOCAA-SECBINFHSA-N 463.391 6.550 50 10 JKGE Cc1cccc(C)c1[C@@H](Br)c1sc(Br)c(C)c1Br 1922946117 NWGCHMYWTLTSTI-GFCCVEGCSA-N 453.037 6.683 50 10 JKGE CC(C)(c1ccccc1)[C@H](Br)c1sc(Br)cc1Br 1922946379 QMZFMZMLVSJONM-CYBMUJFWSA-N 453.037 6.687 50 10 JKGE Fc1cc(Cl)ccc1[C@@H](Cl)c1c(Br)sc(Br)c1Cl 1923050051 POQZSSXEBWGIQW-MRVPVSSYSA-N 453.385 7.047 50 10 JKGE CC(C)([C@H](Br)c1c(Br)sc(Br)c1Cl)S(C)(=O)=O 1923050638 XSSVQPUSBGFAKN-ZCFIWIBFSA-N 489.476 5.186 50 10 JKGE CC[C@@H]1OCC[C@H]1[C@H](Br)c1c(Br)sc(Br)c1Cl 1923071580 JWPPVCRJWIGGFY-CHKWXVPMSA-N 467.448 6.178 50 10 JKGE COc1ccc(Br)c([C@H](Br)[C@H](C)c2ccncc2Br)c1 1924040745 PRTREZBHYJTZAF-RFAUZJTJSA-N 463.995 5.855 50 10 JKGE C[C@@H](c1ccncc1Br)[C@H](Br)c1ccc(Cl)c(Br)c1 1924042269 ZIXHEDNLMAEVOQ-RTHLEPHNSA-N 468.414 6.500 50 10 JKGE Cc1ccccc1[C@H](Cl)c1c(Br)sc(Br)c1Br 1924580359 QYRDRSMJCYHDII-JTQLQIEISA-N 459.428 6.672 50 10 JKGE Clc1sc(Br)c(Cl)c1[C@H](Br)c1csc(Br)c1 1925567411 BZQNUBYHLCEZHC-ZCFIWIBFSA-N 485.875 7.126 50 10 JKGE Cc1cc(Br)sc1[C@H](Cl)c1cc(Br)cc(Br)c1 1950208569 SJBAVUAOWCVGIY-LLVKDONJSA-N 459.428 6.672 50 10 JKGE CO[C@H]1C[C@@H]([C@H](Br)c2cc(Br)c(Br)s2)C[C@H]1OC 2054486616 MREZQAJSZHVJAP-HLFIEIIFSA-N 463.029 5.149 50 10 JKGE CC(C)(C)CC1CC(O[C@@]2(CI)CCCN(C(=O)OC(C)(C)C)C2)C1 2068033157 ZNMBHAGUWZRWRC-ALLBUHFWSA-N 465.416 5.423 50 10 JKGE COc1ccc(Br)cc1[C@@H](Cl)c1cccc(Br)c1Br 2092327922 GZQPTRGXRMOOFF-AWEZNQCLSA-N 469.398 6.311 50 10 JKGE Brc1cccc(Br)c1CN1C[C@@H]2CCC[C@H](Br)[C@H]2C1 2094580055 FWKSJENXAZFIOL-GVXVVHGQSA-N 452.028 5.207 50 10 JKGE Clc1csc([C@@H](Br)c2cc(I)cc3c2OCC3)c1Cl 2096220164 DQHYSNAFBYMMPR-JTQLQIEISA-N 489.987 6.079 50 10 JKGE Clc1ccc(I)c(COc2ccc(CBr)c(Cl)c2)c1 2096979952 NQQMTBMKBIRDII-UHFFFAOYSA-N 471.947 6.072 50 10 JKGE C[C@H](Br)C12CCC(CC1)N2C(=O)c1cc(Br)c(Br)s1 2097070776 RTRZCRSEEDTYFF-DWHFKYGWSA-N 472.040 5.194 50 10 JKGE FC(F)(F)[C@@H]1C[C@H]1COc1c(Br)cc(CBr)cc1Br 2128749115 MCEPINOEPBRURC-JGVFFNPUSA-N 466.917 5.684 50 10 JKGE Fc1cc(C[C@@H](Br)c2cccc(Br)c2)cc(F)c1Br 2142266426 WHRGCVANSDMHKN-LLVKDONJSA-N 454.934 6.169 50 10 JKGE Cc1cc(F)cc(C)c1[C@@H](Cl)c1ccc(Br)cc1I 2142286897 JMQZQCRBGKCLRU-HNNXBMFYSA-N 453.520 6.138 50 10 JKGE Cc1ccc([C@@H](Br)c2cc(Br)c3c(c2)CCO3)cc1Br 2146626806 HGHCGCRQUPJJLS-OAHLLOKOSA-N 460.991 5.939 50 10 JKGE Clc1ccc([C@H](Br)c2csc(Br)c2Br)c2ccccc12 2150344761 RVGLPRKPKLSWMV-ZDUSSCGKSA-N 495.461 7.564 50 10 JKGE CC1CCC2(CC1)[C@@H](Br)C[C@@H]2Oc1c(Br)cccc1Br 2157076055 PDQHCTFEBAXHGK-QRUJWNCHSA-N 467.039 6.323 50 10 JKGE COc1ccc(Br)c(CC[C@H](Br)c2ccccc2Br)c1 2169746476 BGJYRFLMVIWDRV-INIZCTEOSA-N 463.007 6.289 50 10 JKGE O=S(=O)(c1ccc(F)c(CBr)c1)N(Cc1ccccc1)CC1CCCCC1 2179785650 PCNBKDZTEXUQJE-UHFFFAOYSA-N 454.405 5.492 50 10 JKGE Cc1nn(C)c([C@H](Br)c2c(Br)cc(F)c(F)c2F)c1Br 2192376374 UPZHIQWYCNTJFS-SECBINFHSA-N 476.916 5.155 50 10 JKGE C[C@H]1OCC[C@H]1CCC(CBr)(CBr)c1cccc(Br)c1 2196319249 YQVQSPBNMUISMA-CHWSQXEVSA-N 469.055 5.682 50 10 JKGE CC(C)NCc1cc(Br)cc(Br)c1OC[C@H]1C[C@H](Br)C1 2196904223 AHZSHQCKNMKJMN-UMSPYCQHSA-N 470.043 5.262 50 10 JKGE Cc1cc([C@H](Cl)c2c(C)c(Br)cc(C)c2Br)ccc1Br 2201079197 QZHUIDFRYRANEP-INIZCTEOSA-N 481.453 7.228 50 10 JKGE CC1(C)OC[C@H](c2sc(Br)c(Br)c2Br)[C@@H]1Cl 2212288496 FQPDVZPEEHFRBS-VHWMUFPASA-N 453.421 5.535 50 10 JKGE Cc1ccc(I)c([C@H](Br)c2sccc2Br)c1 2212721935 BHVRKVLTKYRIJF-NSHDSACASA-N 471.983 5.908 50 10 JKGE Cc1sc(Br)c(C)c1[C@@H](Br)c1cc(Cl)cc(Br)c1 2218800875 OJQABWWIUOLHIE-LBPRGKRZSA-N 473.455 7.028 50 10 JKGE Fc1cc(F)c([C@H](Cl)c2cc(Br)c(Br)s2)c(F)c1Br 2227808223 ZYEOVVNIOIJKTR-SECBINFHSA-N 499.371 6.781 50 10 JKGE FC(F)(F)SCCn1c(CCl)nc2cc(Br)c(Br)cc21 2234066485 MJBJZBDBOPYECZ-UHFFFAOYSA-N 452.521 5.553 50 10 JKGE O=[N+]([O-])c1ccc(C[C@H](Br)c2cccc(I)c2)c(F)c1 2237445559 GSCGWAMKDCMMRY-ZDUSSCGKSA-N 450.045 5.017 50 10 JKGE Cc1sc([C@@H](Br)c2ccccc2I)c(Br)c1C 2246414908 YVTTVBNLOXDSRD-LBPRGKRZSA-N 486.010 6.216 50 10 JKGE COc1c([C@@H](Cl)c2c(Br)sc(Br)c2Br)csc1C 2259129072 AHBKNEULTLLLHI-MRVPVSSYSA-N 495.483 6.742 50 10 JKGE CCc1cc([C@H](Br)c2cc(Br)c(F)cc2Cl)sc1Br 2270435061 SXWBYWGCBVWDGV-GFCCVEGCSA-N 491.445 7.112 50 10 JKGE Cl[C@H](c1ccc(I)c(Br)c1)c1ccc(C2CCC2)s1 2271973465 UAAZYKQKEAUBKZ-OAHLLOKOSA-N 467.597 6.711 50 10 JKGE Fc1cc(Br)ccc1[C@@H](Br)c1cc2sc(Br)cc2s1 2278103100 UKCUYUJUFCKYFQ-CYBMUJFWSA-N 485.035 7.111 50 10 JKGE Cc1cc(Br)c([C@@H](Br)c2ccc(Cl)c(Br)c2)c(C)c1F 2279156930 PCFZDXVCRHAZJY-AWEZNQCLSA-N 485.416 7.105 50 10 JKGE COc1cc(Br)c(C)cc1[C@H](Cl)c1ccc(Cl)c(I)c1 2283577771 CVFWTVOMSNDJNY-OAHLLOKOSA-N 485.974 6.352 50 10 JKGE CCCCCCCOc1ccc(C=C(C#N)C(=O)Nc2ncc(Cc3ccc(F)cc3)s2)cc1 2293038777 YZGUNJXSOKVMID-UHFFFAOYSA-N 477.605 6.768 50 10 JKGE N#CC(C(=O)Nc1ccc(Cl)cc1)=C1S[C@@H](Cc2ccccc2)C(=O)N1c1ccc(F)cc1 2293039121 DUTBBNPJXUJFSB-QFIPXVFZSA-N 477.948 5.544 50 10 JKGE CCOc1cc(C=C(C#N)c2nc3ccccc3[nH]2)cc(Br)c1OCc1ccccc1 2293763564 JNRWAWONNMKLML-UHFFFAOYSA-N 474.358 6.367 50 10 JKGE CCOc1ccc(NC(=O)C(C#N)=Cc2ccc(-c3ccc(C)cc3Br)o2)cc1 2294146949 JVVCGDYGWALHEP-UHFFFAOYSA-N 451.320 5.962 50 10 JKGE COc1cc(OC)c([C@H](Br)c2ccccc2OCc2ccccc2)cc1Br 2295430090 ICOPXSQABJGTLZ-JOCHJYFZSA-N 492.207 6.530 50 10 JKGE FC(F)(F)C[C@H](Br)CCc1ccc(I)c(Br)c1 2306223636 HRNKODQHSJFHRZ-MRVPVSSYSA-N 485.907 5.702 50 10 JKGE Clc1ccc(I)cc1CO[C@H]1CCCC[C@@H]1I 2307206501 KTGBZHHXGZHGDB-STQMWFEESA-N 476.523 5.207 50 10 JKGE CCc1ccccc1NC(=O)C(C#N)=Cc1cc(Br)ccc1OCc1ccccc1F 2313670506 BEWISYZVNJOHTF-UHFFFAOYSA-N 479.349 6.275 50 10 JKGE N#CC(=Cc1ccc(OCc2cccc(Cl)c2)cc1)C(=O)Nc1cccc(C(F)(F)F)c1 2313738399 AGDOBOMLHGMTAH-UHFFFAOYSA-N 456.851 6.483 50 10 JKGE Cc1cccn2c(=O)c(C=C(C#N)C(=O)Nc3ccc(F)cc3)c(Oc3ccc(C(C)(C)C)cc3)nc12 2314532248 HZFVKBYURIJBRA-UHFFFAOYSA-N 496.542 5.778 50 10 JKGE CCCCCCCCOc1ccc(C=C2C(=O)N(Cc3ccccc3)C(=O)C(C#N)=C2C)cc1OC 2314618992 XWGOHKZHFKVIMB-UHFFFAOYSA-N 486.612 6.227 50 10 JKGE COc1cccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)C=Cc4ccc(C(C)(C)C)cc4)ccc32)c1 2314634217 FMSDTKPXLCQSAO-NDEPHWFRSA-N 480.564 5.830 50 10 JKGE CCCOc1ccccc1C=C(C#N)C(=O)Nc1nc(-c2ccc(Br)cc2)c(C)s1 2314796077 WEZFNSXXMQRMNW-UHFFFAOYSA-N 482.403 6.216 50 10 JKGE Clc1cc(CBr)ccc1Oc1cc(Br)cc(Br)c1 2316836498 UXRZOZHXQWJCTE-UHFFFAOYSA-N 455.371 6.552 50 10 JKGE Cc1sc(Br)c(C)c1[C@H](Cl)c1ccc(Cl)cc1I 2317772673 FXFFDJWFBBHTHO-GFCCVEGCSA-N 476.004 6.714 50 10 JKGE COC1(C(F)F)CC([C@@H](Br)c2cc(Br)c(Br)s2)C1 2320058356 ILDSBZKTZRYGEI-GBZMYTLWSA-N 468.983 5.769 50 10 JKGE BrCCC[C@H]1CCCN1Cc1ccc(I)c(Br)c1 2325214148 XUCNFLWWTVZVHC-LBPRGKRZSA-N 487.017 5.193 50 10 JKGE COC(=O)c1ccccc1N1C[C@H](C(O)=C(C#N)c2nc(-c3ccc4c(c3)CCCC4)cs2)CC1=O 2331239794 AICWANMKDNHEAS-HXUWFJFHSA-N 499.592 5.321 50 10 JKGE CCCCc1ccc(-c2csc(C(C#N)=C(O)COc3ccc(C)cc3C(C)(C)C)n2)cc1 2331255940 KSENTWVIFCRXKE-UHFFFAOYSA-N 460.643 7.630 50 10 JKGE CCc1ccc(OCCCC(O)=C(C#N)c2nc(-c3ccc(Br)cc3)cs2)cc1 2331260616 QVPFJXHBAMNFAW-UHFFFAOYSA-N 469.404 6.787 50 10 JKGE COC(=O)c1ccccc1N1C[C@H](C(O)=C(C#N)c2nc(-c3cccc(Cl)c3)cs2)CC1=O 2331294079 NDYYNNGHJOSPJO-OAHLLOKOSA-N 479.945 5.096 50 10 JKGE CC[C@H](C)[C@@H](C(O)=C(C#N)c1nc(-c2cccc(Cl)c2)cs1)N1C(=O)c2ccccc2C1=O 2331294496 YAQRHXZJDJPWEM-QKKBWIMNSA-N 477.973 5.967 50 10 JKGE N#CC(=C(O)c1ccc2c(c1)C(=O)N(Cc1ccco1)C2=O)c1nc(-c2cccc(Cl)c2)cs1 2331295566 CEOTUXQOAPEPMR-UHFFFAOYSA-N 487.924 5.803 50 10 JKGE CC(C)c1ccccc1O[C@@H](C)C(O)=C(C#N)c1nc(-c2ccc(Cl)c(Cl)c2)cs1 2331311798 ZFGXSDQBAPQCCJ-AWEZNQCLSA-N 459.398 7.500 50 10 JKGE COc1cc(C=CC(O)=C(C#N)c2nc(-c3ccc(F)c(C)c3)cs2)cc(OC)c1OC 2331320364 FGTLLVPALXCXTM-UHFFFAOYSA-N 452.507 5.790 50 10 JKGE COc1ccc(-c2csc(C(C#N)=C(O)[C@@H]3CC(=O)N(c4cc(Cl)ccc4OC)C3)n2)cc1F 2331336802 AGWDIDAUQWPEAX-CQSZACIVSA-N 499.951 5.466 50 10 JKGE N#CC(=C(O)c1ccc2c(c1)C(=O)N(C1CCCCC1)C2=O)c1nc(-c2ccc(F)c(F)c2)cs1 2331351774 XQYYSQBCJLOLIB-UHFFFAOYSA-N 491.519 5.967 50 10 JKGE COc1ccc(-c2csc(C(C#N)=C(O)C=Cc3ccc4c(c3)OCCO4)n2)c2ccccc12 2331406461 PEJBKNOPJNXPCI-UHFFFAOYSA-N 468.534 6.249 50 10 JKGE CCc1ccc(-c2csc(C(C#N)=Cc3ccccc3OCc3ccccc3Cl)n2)cc1 2331418275 MNJHLADJQMRTRO-UHFFFAOYSA-N 456.998 7.669 50 10 JKGE CCCOc1ccccc1C=C(C#N)c1nc(-c2ccc(OCCC)c(OCCC)c2)cs1 2331437770 ANUFOGXCDLQCID-UHFFFAOYSA-N 462.615 7.241 50 10 JKGE CC(C)(C1CCCCC1)[C@H](Br)c1ccc(OCc2ccccc2)cc1Br 2336085298 BHPADVGPRBHJSR-JOCHJYFZSA-N 480.284 8.071 50 10 JKGE Cn1nc([C@@H](Br)c2c(Cl)cc(Br)c(F)c2Br)cc1Cl 2337083547 AUASGSCVZRUKBO-SECBINFHSA-N 495.799 5.875 50 10 JKGE C[C@@H]1CN(Cc2ccc(Cl)c(I)c2)CC[C@@H]1CCBr 2337228366 WGJPFVJZRPXFCO-YPMHNXCESA-N 456.593 5.188 50 10 JKGE Cc1cc([C@@H](Br)c2c(C)cc(Br)c(F)c2Br)sc1Cl 2339654355 SBKIEGRFOFVNOA-SNVBAGLBSA-N 491.445 7.167 50 10 JKGE Cc1cc(Br)c(F)c(Br)c1[C@@H](Br)[C@@]1(C)CCCCO1 2339659812 WRIHJYFPHQWLBP-ZIAGYGMSSA-N 458.991 6.054 50 10 JKGE Clc1ccc([C@H](Br)c2csc3ccccc23)c(I)c1 2340064743 RJDPSMUASPMYQL-HNNXBMFYSA-N 463.565 6.644 50 10 JKGE Fc1ccc([C@@H](CI)OCc2cccc(I)c2)cc1 2341611635 LEDMLHPJOWNFLC-OAHLLOKOSA-N 482.074 5.123 50 10 JKGE Brc1cc(Br)cc(C[C@H](Br)C[C@H]2CC[C@@H]2C2CC2)c1 2342329163 FMOOVYGPBMZTEJ-DVOMOZLQSA-N 451.040 6.344 50 10 JKGE COC1(C(F)F)CC([C@H](Br)c2cc(Br)ccc2OCc2ccccc2)C1 2343016733 DPLVXMCJVGMNJH-JMARDNNUSA-N 490.182 6.524 50 10 JKGE Clc1nccc(OCc2c(Br)cccc2Br)c1CBr 2344735247 LUSWIXBFHRYMHV-UHFFFAOYSA-N 470.386 5.734 50 10 JKGE CC(C)(C)[C@H]1[C@H](Br)CCN1Cc1cc(I)ccc1Cl 2352414592 VUZSQCCIOWSWQU-TZMCWYRMSA-N 456.593 5.329 50 10 JKGE Cc1cc(Cl)c([C@H](Cl)c2c(Br)sc(Br)c2Cl)c(Cl)c1 2353087363 POIPLWCHNZXFLU-VIFPVBQESA-N 483.867 7.870 50 10 JKGE CC[C@@H](C)NCc1cc(Br)cc(Br)c1OC[C@@H]1C[C@@H]1Br 2358922885 OFTUCPRYPLZXNB-CDMKHQONSA-N 470.043 5.262 50 10 JKGE Fc1cc(Br)c(F)c(Br)c1[C@@H](Br)[C@H]1C[C@@H]2O[C@H]1[C@H]1C[C@@H]21 2359746795 KEOMVYGQYHFJBS-BVFFNITLSA-N 472.949 5.349 50 10 JKGE Cc1cc(I)c(O[C@@H]2C[C@H](Br)C23CCCCC3)cc1Cl 2361701660 GEKCDQVDVPFUQZ-LSDHHAIUSA-N 469.588 6.118 50 10 JKGE Fc1c(Br)cc(Cl)c([C@H](Br)[C@@H]2C[C@@H]3O[C@H]2[C@H]2C[C@@H]32)c1Br 2362226866 XIRSGOMNPFKAMC-SSNIZJSZSA-N 489.404 5.864 50 10 JKGE Cc1cc(Br)c(F)c(Br)c1[C@H](Br)C1CC2(CCCO2)C1 2365189175 RYOHDQSRIQZYDJ-YAKODHLKSA-N 471.002 6.054 50 10 JKGE CC(C)c1cccc([C@H](Br)c2cc(Br)c(Br)cc2F)c1 2369694297 NHWZHQLZRCDJAF-INIZCTEOSA-N 464.998 6.958 50 10 JKGE CC[C@H](Oc1ccccc1C)C(=O)NNC(=O)c1ccc(NC(=O)c2ccc(C(C)(C)C)cc2)cc1 13995399 MDSIUDCMBSDESA-DEOSSOPVSA-N 487.600 5.163 50 10 JKGE COc1cc(/C=C(/C#N)C(=O)Nc2ccccc2C(=O)O)cc(Cl)c1OCc1cccc(C)c1 33616471 VTLCUFANYUSZFP-ODLFYWEKSA-N 476.916 5.480 50 10 JKGE CCCN1C(=O)N[C@H](c2ccc(NC(=O)C(C)(C)CCl)cc2)C(C(=O)OCC)=C1c1ccccc1 35710157 DEOWVAZCTXLOOY-JOCHJYFZSA-N 498.023 5.341 50 10 JKGE COc1ccc(C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@H]3c2c(Cl)cccc2Cl)cc1 38679492 WNPRKHYMXJXZJS-NRFANRHFSA-N 467.308 5.439 50 10 JKGE Cc1cc(C)cc(Oc2nc3c(C)cccn3c(=O)c2/C=C(\C#N)C(=O)Nc2ccc(C)c(C)c2)c1 39993055 CCUSPUXCBSDNTP-PXLXIMEGSA-N 478.552 5.575 50 10 JKGE CCCCNC(=O)c1cc2ccc(OC(=O)/C(C#N)=C/c3ccc(OCCCC)cc3)cc2oc1=O 40884181 RFOAXEUNUXUPOP-RCCKNPSSSA-N 488.540 5.014 50 10 JKGE Cc1ccc(-c2ccccc2)n1-c1ccc(C(=O)N/N=C/c2cc(C)n(-c3ccc(O)cc3)c2C)cc1 59304488 IEFGHEKRPFXHQR-UZWMFBFFSA-N 488.591 6.330 50 10 JKGE CCCCOC(=O)c1ccc(-n2c(C)cc(/C=C(/C#N)C(=O)NCc3cccs3)c2C)cc1 59534519 ITLXDYBNOMYCPW-JCMHNJIXSA-N 461.587 5.336 50 10 JKGE CC(C)Cc1ccc([C@H](C)C(=O)NNC(=O)c2ccc(NC(=O)c3ccc(C(C)(C)C)cc3)cc2)cc1 66199324 ZMNKHOWBAHWWOO-NRFANRHFSA-N 499.655 6.000 50 10 JKGE CCOc1ccc([C@@H](C(=O)NC2CCCCC2)N(Cc2ccc(C)cc2)C(=O)CCl)cc1OC 97914643 BDHUPWSYVMNDEG-SANMLTNESA-N 487.040 5.160 50 10 JKGE N#C/C(=C/Nc1ccc(Br)cc1)c1nc(-c2ccc(Br)cc2)cs1 100056677 FFTBUXJZKOLZOL-RAXLEYEMSA-N 461.182 6.312 50 10 JKGE CCCCCCCOc1ccc(/C=C2/C(=O)N([C@H](C)CC)C(=O)C(C#N)=C2C)cc1OCC 101334502 WRNPVMWIWMKSAL-NDWLXSOOSA-N 452.595 5.825 50 10 JKGE COc1cccc(-c2nn(-c3ccccc3)cc2/C=C2/C(=O)N(C3CCCC3)C(=O)C(C#N)=C2C)c1 101338669 FGVGXXBXMBHCLD-PCLIKHOPSA-N 478.552 5.083 50 10 JKGE CCOC(=O)c1c(-c2ccc(C)cc2)csc1NC(=O)/C(C#N)=C\c1ccccc1Cl 102665059 BWZDZGCYIRDMOJ-PDGQHHTCSA-N 450.947 6.099 50 10 JKGE N#C/C(C(=O)Nc1ccccc1)=C1\S[C@@H](Cc2ccc(Cl)cc2)C(=O)N1c1ccc(F)cc1 102973881 IMMVMQAZWAOHQD-SCIJIFGBSA-N 477.948 5.544 50 10 JKGE Fc1ccc(Br)cc1C[C@@H](CBr)c1cccc(Br)c1 118661332 VDZZRJXLABYGIN-LBPRGKRZSA-N 450.971 6.072 50 10 JKGE COc1cc(Br)c(O[C@@H]2C[C@@H](Br)C23CCCCC3)cc1Br 118819482 LSKXMJVGHVUFKN-HUUCEWRRSA-N 483.038 6.085 50 10 JKGE Cc1cc(Br)c([C@@H](Br)c2ccc3c(c2)OCCO3)cc1Br 128813934 UALYECGBBHHQFD-INIZCTEOSA-N 476.990 5.776 50 10 JKGE CCOc1ccc(Br)cc1[C@H](Br)c1ccc(C)c(Br)c1 130462889 ZMYMNTGQDWGCOX-MRXNPFEDSA-N 463.007 6.403 50 10 JKGE Brc1cccc(C[C@H](Br)c2ccc3cc(Br)ccc3c2)c1 159704287 RXOVIUAYVABOIL-SFHVURJKSA-N 469.014 7.044 50 10 JKGE Cc1cc(Br)cc(CBr)c1OCCOc1ccc(Br)cc1 167016342 MKYCOFUTAUILLD-UHFFFAOYSA-N 479.006 5.873 50 10 JKGE COc1cc(/C=C(/C#N)c2ccc(Cl)cc2)ccc1OC(=O)COc1ccc(C(C)C)cc1 197495408 XEAKKSRKBJZMKA-HMAPJEAMSA-N 461.945 6.521 50 10 JKGE CCOc1cc(/C=C2\C(=O)N([C@@H](C)CC)C(=O)C(C#N)=C2C)ccc1OCc1ccccc1F 214270390 WFJHBSMQFOADQK-WBRURWICSA-N 462.521 5.194 50 10 JKGE CCN(CC)c1ccc(N/C=C(/C#N)C(=O)Nc2ccc(Cl)c(C(F)(F)F)c2)c(C)c1 217250492 NPTMUOLRRIZTLJ-SQFISAMPSA-N 450.892 5.972 50 10 JKGE Brc1cc([C@H](Br)[C@H]2C[C@@H]2c2ccccc2)c(Br)s1 227018755 QFYJSQQFQNMCTQ-GBIKHYSHSA-N 451.021 6.513 50 10 JKGE Brc1ccc(I)c([C@H](Br)Cc2ccccn2)c1 232478367 LXOSOWDZQOMHKX-GFCCVEGCSA-N 466.942 5.127 50 10 JKGE Cl[C@H](c1cc(Br)cc(Br)c1)c1cc(Br)cc2c1OCC2 236038436 NETWHDOZFLWXKN-CQSZACIVSA-N 481.409 6.237 50 10 JKGE Fc1ccc([C@H](Br)c2cc(Cl)c(Br)s2)cc1Br 236245485 JRKQZTQQELUQKM-JTQLQIEISA-N 463.391 6.550 50 10 JKGE CCN(CC)c1ccc(C=NNC(=O)CCc2cc(C(C)(C)C)c(O)c(C(C)(C)C)c2)cc1 263632794 VNDDHQIKXSGFQZ-UHFFFAOYSA-N 451.655 5.916 50 10 JKGE Cc1cccc([C@H](Br)c2ccc(Cl)c(Cl)c2)c1I 300473600 WFHNMJGGXABMCX-CYBMUJFWSA-N 455.948 6.391 50 10 JKGE Cc1cc(Cl)cc([C@H](Br)c2cc(I)cc3c2OCC3)c1 312336791 KARQUSHDNDSCPU-HNNXBMFYSA-N 463.540 5.672 50 10 JKGE COc1cc(F)c(Br)cc1[C@H](Br)c1c(C)cccc1Br 313625912 YUTLZKCYMXCWRD-HNNXBMFYSA-N 466.970 6.152 50 10 JKGE Fc1cc(Br)cc([C@H](Br)c2c(Br)cc(F)c(F)c2F)c1 398736469 OKSHCKIKQSLCPV-NSHDSACASA-N 476.887 6.252 50 10 JKGE Cc1cc(C)c([C@H](Br)c2ccsc2Br)c(C)c1Br 698550038 GQQHDFMJUAQQNR-CYBMUJFWSA-N 453.037 6.683 50 10 JKGE COc1ccc([C@@H](Br)c2ncsc2Br)c(OC)c1Br 698650631 CMIULHYARXYYJG-MRVPVSSYSA-N 471.996 5.170 50 10 JKGE N#Cc1c(F)ccc2nc(CCCl)n(CCCN(Cc3ccccc3)Cc3ccccc3)c12 702938205 HQWJYBDRMJGHKX-UHFFFAOYSA-N 460.984 5.921 50 10 JKGE C[C@@H]1CCN(Cc2ccccc2)C[C@@H]1n1c(CCCl)nc2cc(I)ccc21 716298580 HOYCTCAUBCZNLL-IERDGZPVSA-N 493.820 5.505 50 10 JKGE Cc1ccc([C@@H](Cl)c2ccc(I)c(Cl)c2)c(C)c1Br 719578479 ULWUHWFIYGCBDC-HNNXBMFYSA-N 469.975 6.652 50 10 JKGE Cc1ccccc1NC(=O)c1oc2c(c1C)C(=NNC(=O)c1ccccc1Br)CCC2 1772744591 XMUUAZHFMUWJRA-UHFFFAOYSA-N 480.362 5.382 50 10 JKGE CCc1cccc(CC)c1NC(=O)[C@H](C)Oc1cccnc1NC(=O)Nc1ccc(SC#N)cc1 1858838591 LSWLXGVNPCHMLM-KRWDZBQOSA-N 489.601 5.830 50 10 JKGE C[C@H](Oc1ccc(Cl)cc1Cl)C(=O)N1CCC(C(=O)Nc2ccc(SC#N)cc2)CC1 1860595840 FKUIQQYEUHKVTH-AWEZNQCLSA-N 478.401 5.211 50 10 JKGE CCc1nn(-c2ccccc2)c2c1[C@@H](c1ccc(OCc3ccccc3)c(OC)c1)C(C#N)=C(N)O2 1865686987 GUSAEMURBNDUBF-SANMLTNESA-N 478.552 5.240 50 10 JKGE CCCc1nn(Cc2ccc(C)cc2)c2c1[C@H](c1ccc(OCC)c(OCC)c1)C(C#N)=C(N)O2 1865689192 MHOZBPUGKBENFX-RUZDIDTESA-N 472.589 5.208 50 10 JKGE CCCc1nn(Cc2ccccc2)c2c1[C@@H](c1ccc(OCc3ccccc3)cc1)C(C#N)=C(N)O2 1865690589 WKCUJWKNHTURSC-MHZLTWQESA-N 476.580 5.681 50 10 JKGE CCCCCCOc1ccc([C@@H]2C(C#N)=C(N)Oc3c2c(C)nn3-c2ccccc2Cl)cc1OC 1865695663 FYQFBAJZRMGYIL-RUZDIDTESA-N 493.007 6.020 50 10 JKGE Cn1cccc1[C@H]1C(C#N)=C(N)Oc2c1c(-c1ccccc1)nn2Cc1ccc(Cl)c(Cl)c1 1865699609 YENJQRSGHPYDCC-OAQYLSRUSA-N 476.367 5.462 50 10 JKGE CCCOc1ccccc1[C@H]1C(C#N)=C(N)Oc2c1c(-c1ccccc1)nn2-c1cccc(Cl)c1 1865703318 SYPBXQIQAFTBPT-DEOSSOPVSA-N 482.971 6.200 50 10 JKGE CCn1nc(C(F)(F)F)c2c1OC(N)=C(C#N)[C@H]2c1cccc(OC)c1OCc1cccc(C)c1 1865705705 CSJQIMYARDIMPL-LJQANCHMSA-N 484.478 5.036 50 10 JKGE CCOC(=O)c1c(-c2ccc(CC)cc2)csc1NC(=O)/C(C#N)=C/c1cccc(Cl)c1 1866129868 QBMRRXJURPEAAH-XDHOZWIPSA-N 464.974 6.353 50 10 JKGE CC(C)[C@H](C(=O)N[C@H](Cc1ccc(F)cc1)C(=O)Nc1ccc(SC#N)cc1)c1ccc(F)cc1 1866968266 OKAHAYJCIFCTKT-RPBOFIJWSA-N 493.579 5.644 50 10 JKGE C[C@H]1COCCN1c1cc(Nc2ccc(SC#N)cc2)nc(-c2ccc(C(C)(C)C)cc2)n1 1868544366 CPHAMVHYJDIDKH-SFHVURJKSA-N 459.619 5.983 50 10 JKGE COC(=O)c1ccc2c(O)nc(/C(C#N)=C/c3ccccc3OCc3ccc(Cl)cc3)nc2c1 1872727556 JUDBYROOSJWVBD-XDHOZWIPSA-N 471.900 5.419 50 10 JKGE CCOc1cc(/C=C(\C#N)c2nc3ccccc3n2CC)ccc1OCc1ccc(Cl)cc1Cl 1872730615 GRCWUXVORQHFSU-DEDYPNTBSA-N 492.406 7.405 50 10 JKGE CCCCc1ccc(N2C[C@@H](/C(O)=C(\C#N)c3nc(-c4cccc(Cl)c4)cs3)CC2=O)cc1 1872748201 MVYRLKFBSZVRGG-NWIBBQCFSA-N 478.017 6.652 50 10 JKGE COc1c(Cl)cc(Cl)cc1-c1csc(/C(C#N)=C(\O)CCc2ccc(Cl)cc2)n1 1872754568 YZFHWVAEMHJXGR-MNDPQUGUSA-N 465.789 7.204 50 10 JKGE COc1cc(OC)c(-c2csc(/C(C#N)=C(\O)COc3ccc(C)c(C)c3)n2)cc1Cl 1872756672 VAQALIQVTXJBIB-JZJYNLBNSA-N 456.951 5.969 50 10 JKGE COc1ccc(-c2csc(/C(C#N)=C/c3cc(Br)c(O)c(OC)c3)n2)cc1Cl 1872794793 XARHGRYOZQOWPL-WLRTZDKTSA-N 477.767 6.013 50 10 JKGE CC[C@H](Cl)CN(Cc1ccccc1)C(=O)c1ccc(I)c(Cl)c1 1915113006 FYUKLMFBENGRPF-HNNXBMFYSA-N 462.158 5.604 50 10 JKGE O=C(c1cc(Br)c(Br)s1)N(Cc1ccccc1)C1(CCl)CCC1 1915749891 QDLZKPQJQYVIIU-UHFFFAOYSA-N 477.649 6.077 50 10 JKGE Brc1cc(Br)c([C@H](Br)c2occc2Br)s1 1922898491 VVUQQQFRXKZRAQ-SSDOTTSWSA-N 479.813 6.113 50 10 JKGE Fc1ccc(C[C@@H](Cl)c2c(Br)sc(Br)c2Cl)c(F)c1 1923065344 BDVXCUCOVPGOEW-SSDOTTSWSA-N 450.957 6.727 50 10 JKGE C[C@]1(CBr)CCCCN1C(=O)c1csc(Br)c1Br 2032956545 TYMBCRJGXPEGGS-GFCCVEGCSA-N 460.029 5.053 50 10 JKGE CC(C)(C)[C@H](C[C@@H](Br)c1cc(Br)c(Br)s1)C(F)F 2048749473 ROYPQTNLONEVPN-RNFRBKRXSA-N 469.027 7.027 50 10 JKGE C[C@H](C[C@@H]1CCCCCN1C(=O)OC(C)(C)C)NCCSSCCNC(=O)OC(C)(C)C 2061265553 IRYFXFXCNHBMHO-MOPGFXCFSA-N 491.764 5.440 50 10 JKGE CCCC1CCC([C@H](Br)c2cc(Br)sc2Br)CC1 2072698180 ZGTKJJJIYMJHQC-ZPPKWKGLSA-N 459.085 7.316 50 10 JKGE CCOc1ccc([C@H](Br)c2cc(C)sc2Br)cc1Br 2101014156 KCWRZFMVMZMTFC-ZDUSSCGKSA-N 469.036 6.465 50 10 JKGE CC[C@]1([C@H](Br)c2c(C)c(Br)cc(C)c2Br)CCCO1 2136367892 CABHAANUWGYGOY-HUUCEWRRSA-N 455.028 6.224 50 10 JKGE Cc1cc(Br)c(C)c([C@@H](Br)[C@]2(C)CCCCO2)c1Br 2136383554 ZBIRAAWGMUXDAB-CABCVRRESA-N 455.028 6.224 50 10 JKGE COc1c(Cl)cc(Br)cc1[C@@H](Br)c1cc(C)c(Br)o1 2138252610 AHQDOFOPYCLQCJ-LLVKDONJSA-N 473.386 6.259 50 10 JKGE CCO[C@@H]1CC[C@@H]([C@@H](Br)c2ccc(Br)c(C)c2Br)C1 2138875136 CBRDPMARABEGJP-UEKVPHQBSA-N 455.028 6.161 50 10 JKGE CCOc1ccc(Br)cc1[C@H](Cl)c1c(Br)cccc1Br 2150494220 PBKQZQFNYGILFZ-HNNXBMFYSA-N 483.425 6.701 50 10 JKGE Cc1ccccc1C[C@H](CBr)Cc1c(Br)cccc1Br 2150495012 KMXIKTVJYXHDOU-ZDUSSCGKSA-N 461.035 6.316 50 10 JKGE Brc1cccc(CN2CCC[C@@H]3CC[C@@H](Br)C[C@@H]32)c1Br 2167009209 LEMLTERVYVQGQT-KYOSRNDESA-N 466.055 5.740 50 10 JKGE CN(C[C@@H](Br)C1CCCC1)C(=O)c1cc(Br)ccc1Br 2167648055 UEUFCHRPRFKFQF-CQSZACIVSA-N 468.027 5.237 50 10 JKGE COc1ccc(C[C@@H](Br)c2c(Cl)sc(Br)c2Cl)cc1F 2168413315 QNINOCDYZUSKFV-SSDOTTSWSA-N 462.993 6.644 50 10 JKGE O=C(c1scc(Br)c1Br)N1C[C@@H](CBr)C2(CCCC2)C1 2175214944 VMERZLRDMBVLMK-SECBINFHSA-N 486.067 5.300 50 10 JKGE Cc1sc(Br)c(C)c1[C@H](Br)c1sccc1I 2210558193 FBTDEKYKKALLIT-VIFPVBQESA-N 492.039 6.278 50 10 JKGE Cc1c(Br)csc1C(=O)N(Cc1ccccc1)[C@@H](CBr)C1CC1 2210635283 HKNXZTRBNPXATF-INIZCTEOSA-N 457.231 5.635 50 10 JKGE CC[C@](C)(CCCC(C)C)O[C@@](C)(CI)CNC(=O)OC(C)(C)C 2213739566 FUVIXMHUBHOLQB-MOPGFXCFSA-N 455.421 5.716 50 10 JKGE Clc1cc(Br)ccc1C[C@H](Br)c1ccsc1Br 2215853684 JCDYLAQUQJRXBP-JTQLQIEISA-N 459.428 6.605 50 10 JKGE Fc1cc(Br)c(Br)cc1[C@@H](Br)[C@@H]1CCCCC1(F)F 2225617824 RUJCQOSMDAKKAS-QPUJVOFHSA-N 464.945 6.612 50 10 JKGE Fc1ccc(Br)cc1[C@@H](Cl)c1c(Br)cc(Cl)c(Cl)c1Cl 2232511403 JWZCWUJVBKOAOU-LLVKDONJSA-N 481.801 7.639 50 10 JKGE CC1(C)[C@H]2C[C@H]([C@@H](Br)c3c(Br)cc(Cl)c(Cl)c3Cl)C[C@H]21 2232530362 QXCPROBTSDFYIS-HZLHGAJGSA-N 461.452 7.528 50 10 JKGE CCOCc1cc(Br)c([C@@H](Br)c2cc(Br)ccc2F)s1 2233024268 VQOIYEKMLIBGED-ZDUSSCGKSA-N 487.026 6.433 50 10 JKGE Cc1cc(Br)c([C@H](Br)[C@H]2OCCOC2(C)C)c(C)c1Br 2235606549 CLIDPLIEQWVRFK-UONOGXRCSA-N 471.027 5.458 50 10 JKGE COc1cc(Br)c([C@H](Br)c2nn(C)c(Br)c2C)cc1C 2236021712 GZPIXKGWSFQOJS-LBPRGKRZSA-N 466.999 5.055 50 10 JKGE Cc1sc([C@H](Br)c2csc3c(Br)cccc23)c(Br)c1C 2237628909 BRCMUFGVQLQTDP-CYBMUJFWSA-N 495.099 7.589 50 10 JKGE Brc1ccc([C@H](CI)O[C@H]2CCN(Cc3ccccc3)C2)cc1 2244800315 LUBKHAVASAWRSJ-OALUTQOASA-N 486.191 5.216 50 10 JKGE C[C@@](CBr)(OC1CCN(Cc2ccccc2)CC1)c1ccccc1Br 2259433186 OMEAJVDESUOVQA-NRFANRHFSA-N 467.245 5.740 50 10 JKGE CC[C@@H](Oc1c(Br)cc(CBr)cc1Br)C(F)(F)F 2263890640 FNCQYXRPBLCUHD-SECBINFHSA-N 454.906 5.826 50 10 JKGE O=[N+]([O-])c1cc(Br)c(Oc2nc(CBr)cs2)c(Br)c1 2265469681 OIIDNOFKGXRWNR-UHFFFAOYSA-N 472.940 5.264 50 10 JKGE CN(Cc1ccccc1I)c1ccc(CCl)c(Br)c1 2265532714 MNGDHCJRKIPLSD-UHFFFAOYSA-N 450.545 5.429 50 10 JKGE Fc1cc(Br)c(Cl)cc1[C@H](Br)c1cccc(Cl)c1Br 2267971307 KVONHVJZWAYKAP-GFCCVEGCSA-N 491.807 7.142 50 10 JKGE Cc1cc(Br)c([C@H](Cl)c2c(F)cc(Br)c(F)c2Br)s1 2272722483 TZRPXFHFFPVREI-SNVBAGLBSA-N 495.408 6.950 50 10 JKGE Fc1cc(Br)c(F)c(Br)c1[C@H](Br)CC[C@H]1CCOC1 2272733601 MSCXMBKVCVPWND-JGVFFNPUSA-N 462.954 5.743 50 10 JKGE Cn1cc(Br)c([C@H](Cl)c2c(F)cc(Br)c(F)c2Br)n1 2272856147 SSWCFIKKJCNVLE-SECBINFHSA-N 479.344 5.314 50 10 JKGE Fc1cccc([C@H](Br)Cc2cc(Br)cc(Br)c2)c1F 2277960478 IHYPOXRJCZAIFD-GFCCVEGCSA-N 454.934 6.169 50 10 JKGE Cc1cc(Br)c([C@H](Br)c2ccc(Br)c(F)c2)c(C)c1F 2279147093 REJQXOXWXFRTAT-CQSZACIVSA-N 468.961 6.591 50 10 JKGE COc1ccc([C@H](Cl)c2cc(C)ccc2I)c(Br)c1Cl 2283564248 WSHSOOFEWNWUDU-AWEZNQCLSA-N 485.974 6.352 50 10 JKGE COc1cc(C)c(Br)c(C)c1[C@H](Br)c1sc(C)cc1Br 2285066825 CFTMGHGGJUFAIV-AWEZNQCLSA-N 483.063 6.691 50 10 JKGE CCOC(=O)C(C#N)=C1S[C@@H](Cc2cc(Cl)ccc2Cl)C(=O)N1c1ccc(C)cc1 2293039074 ABNJWGPLAQUSRZ-IBGZPJMESA-N 461.370 5.291 50 10 JKGE COc1cc(C)c(Cl)cc1[C@@H](Br)c1cc(I)ccc1F 2295360246 OPEQDEHRPYKIBX-HNNXBMFYSA-N 469.519 5.885 50 10 JKGE COc1ccc(C[C@@H]2SC(=C(C#N)C(=O)Nc3cccc(C)c3)N(c3ccccc3C)C2=O)cc1 2296507185 XNIPGTDLTNDTPA-VWLOTQADSA-N 483.593 5.377 50 10 JKGE Cc1ccc(NC(SCc2cccc(F)c2)=C(C#N)S(=O)(=O)c2ccccc2)c(C)c1 2297350096 VHXLZPKIQNUSMX-UHFFFAOYSA-N 452.576 5.954 50 10 JKGE Cc1ccc2nc(C(C#N)=Cc3cc(Br)ccc3OCc3ccc([N+](=O)[O-])cc3)[nH]c2c1 2297369687 YGDYHSZSPLTBBB-UHFFFAOYSA-N 489.329 6.185 50 10 JKGE CCOC(=O)c1ccc(-n2c(C)cc(C=C(C#N)C(=O)Nc3cccc(Cl)c3C)c2C)cc1 2297624407 BWNPLNXSAWGZFV-UHFFFAOYSA-N 461.949 5.778 50 10 JKGE C[C@H](C1CCCC1)[C@H](Br)c1ccc(OCc2ccccc2)cc1Br 2299507163 DTVAXZYQENNADB-VFNWGFHPSA-N 452.230 7.290 50 10 JKGE CC(C)[C@H]1CCc2c(Br)cc(OCc3ccccc3)cc2[C@@H](Br)C1 2299517464 KWWUCSQIVZYDEM-JXFKEZNVSA-N 452.230 7.073 50 10 JKGE Cc1cccc(COc2ccc(Br)cc2C=C(C#N)C(=O)Nc2cccc(C)c2C)c1 2313667718 SWGAKUULSRIBHL-UHFFFAOYSA-N 475.386 6.499 50 10 JKGE N#CC(=Cc1ccc(-c2c(Cl)cccc2Cl)o1)C(=O)Nc1cccc(Cl)c1Cl 2314572102 SPJOKPHUFPYNQP-UHFFFAOYSA-N 452.124 7.106 50 10 JKGE COc1ccc(N2C(=O)[C@H](Cc3ccc(C)c(C)c3)SC2=C(C#N)C(=O)NCc2ccccc2)cc1 2314593415 MRABMQFDIDJMHG-SANMLTNESA-N 497.620 5.055 50 10 JKGE CCOc1cc(C=C2C(=O)N(CCc3ccccc3)C(=O)C(C#N)=C2C)ccc1OCCC(C)C 2314617310 VTJZOSGDEKMQPL-UHFFFAOYSA-N 472.585 5.345 50 10 JKGE CCC1([C@@H](Br)c2c(Cl)cc(Br)c(F)c2Br)CCC1 2315441988 NWDYIXUQLFSWTM-LBPRGKRZSA-N 463.410 7.020 50 10 JKGE C[C@@H]1C[C@@H]([C@@H](Br)c2c(Cl)cc(Br)c(F)c2Br)CO1 2315449721 SUVTXMIIVLEJCW-OXOINMOOSA-N 465.382 5.865 50 10 JKGE Cn1cnc(Br)c1[C@@H](Cl)c1cc(Br)c(Br)cc1F 2315626129 WEHHGILJVIDNIJ-VIFPVBQESA-N 461.354 5.175 50 10 JKGE CCCCCCCCCOc1ccc(C=NNC(=O)c2cccn(C(C)C)c2=O)cc1OC 2323628664 QXJMSPVNMSLDQF-UHFFFAOYSA-N 455.599 5.331 50 10 JKGE CC(C)(C)OC(=O)NCCCCCC(=O)NN=Cc1ccc(OCc2c(F)cccc2Cl)cc1 2328835281 DERHJTLJMIDGIZ-UHFFFAOYSA-N 491.991 5.593 50 10 JKGE CC(=Cc1ccccc1Cl)C(=O)N[C@H](Cc1ccc(O)cc1)C(=O)Nc1ccc(SC#N)cc1 2330468385 VQSDCGYNOWNBGT-XMMPIXPASA-N 492.000 5.388 50 10 JKGE COc1cc(C=C(C#N)c2cc3c(cc2[N+](=O)[O-])OCCO3)ccc1OCc1ccc(C)cc1 2331051446 SZXDZUXVURLREX-UHFFFAOYSA-N 458.470 5.326 50 10 JKGE COCCOc1ccc(C=C(C#N)C(=O)Nc2nc(-c3ccc(Br)cc3)cs2)cc1 2331123818 AMCVYGHOMKDQCD-UHFFFAOYSA-N 484.375 5.143 50 10 JKGE N#CC(=C(O)C=Cc1ccc2c(c1)OCCO2)c1nc(-c2ccc(-c3ccccc3)cc2)cs1 2331231887 PIRZKZXLSWPTNG-UHFFFAOYSA-N 464.546 6.754 50 10 JKGE N#CC(=C(O)c1ccc2c(c1)C(=O)N(Cc1ccccn1)C2=O)c1nc(-c2ccccc2Cl)cs1 2331265852 IJWRFYYOKQUGBQ-UHFFFAOYSA-N 498.951 5.605 50 10 JKGE N#CC(=C(O)c1ccc(N2C(=O)c3ccccc3C2=O)cc1)c1nc(-c2c[nH]c3ccccc23)cs1 2331346692 CWVVOBLUSWROOC-UHFFFAOYSA-N 488.528 6.042 50 10 JKGE CCCOc1ccc(-c2csc(C(C#N)=Cc3cc(OC)c(OC)c(OC)c3)n2)cc1OCCC 2331437901 LJBSBBBZGQJYEA-UHFFFAOYSA-N 494.613 6.478 50 10 JKGE Cc1cc(Br)c(F)c(Br)c1[C@H](Br)C[C@@H]1CC[C@@H]2C[C@H]12 2339646040 NMIRAOASAHYJPJ-VPOLOUISSA-N 455.003 6.531 50 10 JKGE Cc1cc(Br)c(F)c(Br)c1[C@H](Br)[C@H]1CCC12CCC2 2339685319 SFAQSUGLAUPLJM-BXKDBHETSA-N 455.003 6.675 50 10 JKGE CN(Cc1c(Br)cccc1Br)C[C@@H](CBr)C(C)(C)C 2340605684 IJMUKGAIFMFMSH-LLVKDONJSA-N 456.060 5.701 50 10 JKGE C[C@@H](c1ccncc1F)[C@H](Br)c1cc(Br)cc(Br)c1 2344692327 LGXAMSKSMVXAKS-RTHLEPHNSA-N 451.959 5.985 50 10 JKGE Cc1cc(Br)c(C)c([C@@H](Br)[C@]23C[C@H](CO2)C3(C)C)c1Br 2359837877 DYHWPRXMKKSRJU-HQQWDMGQSA-N 467.039 6.080 50 10 JKGE FC1(F)C2(CC2)C12CC([C@H](Br)c1ccc(OCc3ccccc3)cc1Br)C2 2361172698 QECKLXPTNDZKKS-RNFHDMOYSA-N 498.205 7.290 50 10 JKGE CCCc1sc(Br)cc1[C@@H](Br)c1ccc(OC)cc1Br 2363274187 YVKHCVJUIULTQU-HNNXBMFYSA-N 483.063 6.719 50 10 JKGE COc1cc(F)c(Cl)cc1[C@H](Br)c1c(Br)c(Br)nn1C 2364238109 WVNHKQKHJHQJQB-VIFPVBQESA-N 491.380 5.231 50 10 JKGE CN(Cc1c(Br)c(Br)nn1C)c1ccc(CBr)cc1Cl 2364337263 WDNJSLAWWXCKLT-UHFFFAOYSA-N 486.433 5.130 50 10 JKGE Cc1c([C@@H](Br)c2cc(Cl)c(Br)cc2F)ccc(Cl)c1Cl 2364549784 CHGYNLRWRYJAHI-CYBMUJFWSA-N 461.383 7.341 50 10 JKGE Cc1cc(Br)c(F)c(Br)c1[C@@H](Br)[C@@]12CC[C@@H](C1)[C@@H](C)O2 2365194224 PEHPVYUSKMDANV-WUEYEGCSSA-N 471.002 6.053 50 10 JKGE Fc1cc(F)c(CBr)c(OCc2c(Br)cccc2Br)c1 2366218102 WMYBKTOPBNSCCB-UHFFFAOYSA-N 470.933 5.964 50 10 JKGE C[C@@H]1CC2CC([C@H](Br)c3c(F)cc(Br)c(F)c3Br)(C2)O1 2368129570 XGVMSMOKEMXLIR-XXNGCHEGSA-N 474.965 5.883 50 10 JKGE CC[C@H](O[C@@H]1CN(C(=O)OC(C)(C)C)C[C@@H]1I)c1ccc(C(F)(F)F)cc1 2369783164 OLNPPIVUNCEUDR-HRCADAONSA-N 499.311 5.596 50 10 JKGE Cc1cc(Br)c(C(C)C)cc1[C@H](Br)c1c(Br)cnn1C 2380942297 OQOFRMNWZJZTBJ-AWEZNQCLSA-N 465.027 5.861 50 10 JKGE COc1ccc(C[C@@H]2S/C(=C(\C#N)C(=O)Nc3ccc(C)cc3)N(c3ccccc3)C2=O)cc1 2227336 XDTJMVHKVLZRLS-BSSRNLCFSA-N 469.566 5.069 50 10 JKGE COc1ccc(/C(C)=N/NC(=O)c2ccc(NC(=O)c3ccc(C(C)(C)C)cc3)cc2)c(OC)c1 12491893 KGJJQSHBUCNCMM-UXHLAJHPSA-N 473.573 5.408 50 10 JKGE CC[C@@H](Oc1ccc(-c2ccccc2)cc1)C(=O)NNC(=O)c1ccc(C)c(Br)c1 14768775 GKXUWJZKHBSFQM-JOCHJYFZSA-N 467.363 5.043 50 10 JKGE CCOc1cc(C(=O)Oc2ccc(/C=C(/C#N)c3ccccc3)cc2)cc(OCC)c1OCC 31900158 PCCGFXJWLRBWJT-KQWNVCNZSA-N 457.526 6.166 50 10 JKGE N#C/C(=C/c1ccc(-c2ccc(Br)cc2)o1)C(=O)Nc1ccccc1Br 33283031 SVNQPPNWKVXDRV-KAMYIIQDSA-N 472.136 6.017 50 10 JKGE Cc1cccc(OCCOc2c(Cl)cc(Cl)cc2/C=C(/C#N)C(=O)NCc2ccccc2)c1 33469560 DRSFLFWEWHVMEC-BKUYFWCQSA-N 481.379 5.983 50 10 JKGE CCCCCOc1ccc(/C=C(/C#N)C(=O)Nc2sc3c(c2C(=O)OC)CCCC3)cc1 34890633 JOHLWDGMDFVJHJ-SDXDJHTJSA-N 452.576 5.528 50 10 JKGE CCOc1ccc(NC(=O)/C(C#N)=C/c2cn(-c3ccccc3)nc2C23CC4CC(CC(C4)C2)C3)cc1 35447044 ONARZJVFSJDMMA-BUVRLJJBSA-N 492.623 6.284 50 10 JKGE N#C/C(=C\c1ccc(-c2cccc(C(F)(F)F)c2)o1)C(=O)Nc1ccc(Cl)c(C(F)(F)F)c1 35519065 NKNPYNPMRYHHLH-UKTHLTGXSA-N 484.783 7.183 50 10 JKGE COc1ccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4ccc(C(C)(C)C)cc4)ccc32)cc1OC 38658315 PYWFPUWWWVUCIS-SANMLTNESA-N 484.552 5.439 50 10 JKGE N#CC1=C(N)Oc2cc(OC(=O)c3ccc(F)cc3)ccc2[C@@H]1c1ccccc1Br 38678517 ASNVHRSQGUFPJR-NRFANRHFSA-N 465.278 5.026 50 10 JKGE N#CC1=C(N)Oc2cc(OC(=O)COc3ccc(F)cc3)ccc2[C@@H]1c1c(Cl)cccc1Cl 38679555 KZPGDNRRPKXIFK-QFIPXVFZSA-N 485.298 5.335 50 10 JKGE CCCOc1cccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)Cc4cccc5ccccc45)ccc32)c1 38684452 BQSYQKLBCDRFKI-SSEXGKCCSA-N 490.559 5.995 50 10 JKGE CCCCCOc1ccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)COc4ccccc4C)ccc32)cc1 38685322 YCEHHPHBRUMPLW-GDLZYMKVSA-N 498.579 5.767 50 10 JKGE COc1ccc2cc3c(nc2c1)N(c1ccc(C(=O)NN(c2ccccc2)c2ccccc2)cc1)CC3 39881679 XCLCDSQVGXMGER-UHFFFAOYSA-N 486.575 6.421 50 10 JKGE C=CCOc1ccc(-c2nn(-c3ccccc3)cc2/C=C(\C#N)C(=O)NCc2ccccc2)c(C)c1 39983146 FHRSZPWCFXMHBT-HKOYGPOVSA-N 474.564 5.636 50 10 JKGE Cc1c(C(=O)NN(c2ccccc2)c2ccccc2)oc2c1/C(=N/NC(=O)c1ccc(F)cc1)CCC2 40811927 JYLONWUVMRHKQE-QFMPWRQOSA-N 496.542 5.681 50 10 JKGE Cc1ccnc(NC(=O)c2oc3c(c2C)/C(=N/NC(=O)c2ccc(Cl)cc2Cl)CCC3)c1 40813752 ZJZUTSSAHGHRIK-OGLMXYFKSA-N 471.344 5.321 50 10 JKGE C=CCc1cc(/C=N\NC(=O)CC[C@@H](O)c2ccccc2)ccc1OCc1ccc(Cl)cc1Cl 58891732 FZWVBZZPUBFKCJ-PEHSQKLVSA-N 497.422 6.265 50 10 JKGE CCOc1ccc([C@@H](O)CCC(=O)N/N=C\c2cn(Cc3cccc(C)c3)c3ccccc23)cc1 58893492 VMLFQTZGVDFFJN-INQTWUCUSA-N 469.585 5.361 50 10 JKGE N#C/C(=C/c1cc(Br)ccc1OCc1cccc(F)c1)C(=O)Nc1cccc([N+](=O)[O-])c1 59281966 BGWRQQHVCUJBQL-YVLHZVERSA-N 496.292 5.621 50 10 JKGE C=CCc1cc(/C=N/NC(=O)c2cc3ccccc3o2)cc(OCC)c1OCc1ccc(Cl)cc1 59305353 MYHSQXKFXKWYMP-OCSSWDANSA-N 488.971 6.556 50 10 JKGE CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(F)cc2)ccc1OCc1ccc(Cl)cc1Cl 59535005 RCDNOZARUDNYAV-WOJGMQOQSA-N 485.342 6.656 50 10 JKGE COc1ccc(/C=C(/C#N)C(=O)Nc2ncc(Cc3cc(C(F)(F)F)ccc3Cl)s2)cc1 102973971 GCXWWZRGPACXAR-NVNXTCNLSA-N 477.895 5.960 50 10 JKGE N#C/C(=C\Nc1ccc(Cl)c(Cl)c1)c1nc(-c2ccc(Br)cc2)cs1 103953752 WXZFVYJOMRGBRJ-FMIVXFBMSA-N 451.176 6.856 50 10 JKGE Fc1cccc(CC(CBr)(CBr)c2ccc(Cl)cc2)c1Cl 123426826 VNRZFMLBAYHHRK-UHFFFAOYSA-N 454.992 6.403 50 10 JKGE FC(F)(F)c1cccc([C@@H](Br)c2cc(Br)c(Br)s2)c1 128197112 NQNRXKFBMUDYNY-SNVBAGLBSA-N 478.953 6.776 50 10 JKGE CCCCCCCOc1ccc(/C=C2\C(=O)N(CCc3ccccc3)C(=O)C(C#N)=C2C)cc1 214350573 FRKXWXPPBMAARE-QOMWVZHYSA-N 456.586 5.871 50 10 JKGE Brc1cc([C@H](Br)[C@H]2[C@@H]3CCc4ccccc4[C@@H]23)c(Br)s1 227470799 ITXOQDMHUAKBGJ-RABLLNBGSA-N 477.059 6.685 50 10 JKGE COc1cc(Br)c([C@@H](Cl)c2cccc(Br)c2Cl)cc1OC 228451030 FEODISNXZNZSKN-AWEZNQCLSA-N 454.973 6.210 50 10 JKGE ClCc1nc2cc(Br)cnc2n1-c1c(Br)cccc1Br 232133920 NUBVEMHACUZGPS-UHFFFAOYSA-N 480.385 5.447 50 10 JKGE O=C(NC[C@@H](Br)c1ccccc1)c1cc(Br)sc1Br 232475076 MKYDOCYUZPFMLX-SNVBAGLBSA-N 468.008 5.139 50 10 JKGE C[C@H]1Cc2cc([C@@H](Br)c3cc(Br)cc(Br)c3)ccc2O1 235766605 VSPKGAKETQXSNP-XXFAHNHDSA-N 460.991 6.019 50 10 JKGE Cc1ccc([C@H](Br)c2cc(Br)ccc2Br)c(Cl)c1 235909031 OTWSCRXVHFLBMK-AWEZNQCLSA-N 453.399 6.658 50 10 JKGE Cl[C@H](c1ccc(Br)cc1Br)c1csc2c(Br)cccc12 236040032 PCGWZHMUSYAQLD-CQSZACIVSA-N 495.461 7.517 50 10 JKGE Cc1ccccc1[C@H]1C=C(c2ccccc2)OC(c2ccccc2)=C1C=NNC(=O)c1ccncc1 245265744 HQLHBCAZDGSTJO-HHHXNRCGSA-N 471.560 6.372 50 10 JKGE Cl[C@@H](c1cccc(OCc2ccccc2)c1)c1cc(Br)sc1Br 309977484 SCUKMJMLTMNJHJ-KRWDZBQOSA-N 472.629 7.180 50 10 JKGE C[C@H]1C[C@H](n2c(CCCl)nc3cc(I)ccc32)CCN1Cc1ccccc1 379612802 VMFNPCKSULMETF-QFBILLFUSA-N 493.820 5.648 50 10 JKGE Fc1ccc([C@H]2CN(Cc3ccccc3)C[C@H]2CI)cc1Br 382721288 NOXLEVLBIRJILN-HZPDHXFCSA-N 474.155 5.239 50 10 JKGE CC(C)CCCCCOc1c(Br)cc(CBr)cc1Br 383109668 HPGPSCNEAZIREI-UHFFFAOYSA-N 457.044 6.702 50 10 JKGE Clc1cc([C@H](Br)c2cccc(OCc3ccccc3)c2)c(Cl)c(Cl)c1Cl 404821335 DLIUUISGRWHCKJ-QGZVFWFLSA-N 491.039 8.364 50 10 JKGE CC(C)(C)OC(=O)NCCN1CCOC[C@@H](c2cccc(CO[Si](C)(C)C(C)(C)C)c2)C1 616663352 KZRHKGOMILJZQN-QFIPXVFZSA-N 464.723 5.149 50 10 JKGE FC(F)(F)Sc1c(I)cc(CBr)c2sccc12 725283859 YIKWEXGPOKWYIW-UHFFFAOYSA-N 453.086 6.013 50 10 JKGE CCc1ccccc1NC(=O)/C(C#N)=C\c1cc(Cl)ccc1OCc1ccc(Br)cc1 1083862930 UMUKZNAEWZXPDK-MOSHPQCFSA-N 495.804 6.790 50 10 JKGE CCOc1cc(C=NNC(=O)CSc2ccc(Cl)cc2)ccc1OCc1ccc(F)cc1 1084272621 PBUSROQDGPDPGT-UHFFFAOYSA-N 472.969 5.699 50 10 JKGE CCOC(=O)C1=C(C)NC(CSC(=O)C23CC4CC(CC(C4)C2)C3)=C(C#N)[C@H]1c1cccs1 1084414347 WJQGCXUUIMOYNF-UCWRNDPWSA-N 482.671 5.526 50 10 JKGE C=CCn1c(CNc2ccc(C)cc2)nnc1SCC(=O)NN=C(C)C12CC3CC(CC(C3)C1)C2 1084489785 WNFDLUAVDICZGH-UHFFFAOYSA-N 492.693 5.185 50 10 JKGE O=C(COc1ccc2cc(Br)ccc2c1Br)NN=CCc1ccccc1 1084536556 LMLCBHAWSPVTTJ-UHFFFAOYSA-N 476.168 5.088 50 10 JKGE COc1ccc(NC(=O)/C(C#N)=C\c2ccccc2OCc2ccc(Cl)cc2Cl)cc1 1084636533 YODRURDIUOKIEI-PDGQHHTCSA-N 453.325 6.127 50 10 JKGE COc1ccc(/C(C#N)=C/c2cccc(OC(=O)c3cc4ccccc4oc3=O)c2)cc1OC 1615066862 SWJVISBUSNNACK-UDWIEESQSA-N 453.450 5.094 50 10 JKGE Cc1c(C(=O)Nc2ccc(Cl)cc2Cl)oc2c1C(=NNC(=O)c1ccccc1F)CCC2 1772744547 WOBGNMOQSOHGSC-UHFFFAOYSA-N 474.319 5.757 50 10 JKGE CCCOc1ccc(C=NNC(=O)CCCOc2ccc(C(C)(C)C)cc2Br)cc1 1772755990 XAKFEUBGNZVBAT-UHFFFAOYSA-N 475.427 5.845 50 10 JKGE N#CC1=C(N)Oc2c(c(-c3ccccc3)nn2-c2ccc(Cl)cc2)[C@H]1c1cccc2ccccc12 1865682795 XRTXMHSQTIZZLD-VWLOTQADSA-N 474.951 6.564 50 10 JKGE N#CC1=C(N)Oc2c(c(-c3ccccc3)nn2Cc2cccc(Cl)c2)[C@@H]1c1ccc(Cl)cc1 1865683734 OBWROFAYVJGHBS-JOCHJYFZSA-N 473.363 6.123 50 10 JKGE N#CC1=C(N)Oc2c(c(-c3ccccc3)nn2-c2cccc(Cl)c2)[C@@H]1c1c(Cl)cccc1Cl 1865685194 FMMKTCZNGMBXGH-FQEVSTJZSA-N 493.781 6.718 50 10 JKGE CCCCOc1ccc([C@H]2C(C#N)=C(N)Oc3c2c(-c2ccccc2)nn3-c2ccc(C)cc2)cc1 1865689943 HFYDBWSHZCOOHJ-SANMLTNESA-N 476.580 6.245 50 10 JKGE CCCOc1c(OC)cccc1[C@@H]1C(C#N)=C(N)Oc2c1c(CCC)nn2Cc1cccc(Cl)c1 1865693688 PYKSNAPRXONLRV-HSZRJFAPSA-N 493.007 5.553 50 10 JKGE CCOc1ccc([C@@H]2C(C#N)=C(N)Oc3c2c(C(F)(F)F)nn3-c2ccccc2Cl)cc1OC 1865695882 VBNRBAODYKRTEC-GOSISDBHSA-N 490.869 5.170 50 10 JKGE Cn1nc(-c2ccccc2)c2c1OC(N)=C(C#N)[C@H]2c1ccccc1OCc1ccccc1Cl 1865702958 JLBCCNAZIFWYHT-HSZRJFAPSA-N 468.944 5.538 50 10 JKGE COc1ccc(-c2nn(-c3ccccc3)c3c2[C@H](c2ccccc2OC(C)C)C(C#N)=C(N)O3)cc1 1865705608 ZZIHBGVYBJYPBF-RUZDIDTESA-N 478.552 5.553 50 10 JKGE CCCc1nn(-c2ccccc2Cl)c2c1[C@@H](c1cc(Cl)c(O)c(OC)c1)C(C#N)=C(N)O2 1865706660 BYOMCUIEOYPQAJ-IBGZPJMESA-N 471.344 5.064 50 10 JKGE COc1ccc(-c2nn(-c3ccc(Cl)cc3)c3c2[C@@H](c2ccc(F)cc2)C(C#N)=C(N)O3)cc1 1865707773 FUJIKMHUWNCWQG-QFIPXVFZSA-N 472.907 5.559 50 10 JKGE CCc1ccc([C@@H]2C(C#N)=C(N)Oc3c2c(C(F)(F)F)nn3-c2cccc3ccccc23)cc1 1865708657 BZANADAOWQZXNJ-OAQYLSRUSA-N 460.459 5.825 50 10 JKGE N#CC1=C(N)Oc2c(c(-c3ccccc3)nn2-c2ccccc2)[C@@H]1c1cccc(OCc2ccccc2)c1 1865711940 LQXCDLUNANDRNI-MUUNZHRXSA-N 496.570 6.336 50 10 JKGE N#C/C(=C\c1cccc(Br)c1)C(=O)Nc1ccc(Cl)cc1C(=O)c1ccccc1 1866131935 UNCIIKGKNDJMMZ-GZTJUZNOSA-N 465.734 5.879 50 10 JKGE COc1ccc(-c2csc(/C(C#N)=C(\O)[C@@H](C)Oc3ccc(Cl)cc3Br)n2)cc1 1872746126 TYNHRTMZWDRMAJ-XSBGSACPSA-N 491.794 6.495 50 10 JKGE CCOc1ccc(-c2csc(/C(C#N)=C(\O)c3cc([N+](=O)[O-])cc([N+](=O)[O-])c3C)n2)cc1 1872747592 KLBHUDYAOBWGRA-JZJYNLBNSA-N 452.448 5.284 50 10 JKGE COc1cc(-c2csc(/C(C#N)=C(\O)C(c3ccccc3)c3ccccc3)n2)c(OC)cc1Cl 1872755102 YNEXCYPXKSUCSX-QOMWVZHYSA-N 488.996 7.105 50 10 JKGE CCOC(=O)Oc1ccc(/C(O)=C(\C#N)c2nc(-c3cc(Cl)ccc3OC)cs2)cc1 1872758827 RYMCPDCRVAXQTJ-JZJYNLBNSA-N 456.907 5.957 50 10 JKGE CCOc1c(Br)cc(/C=C(\C#N)c2nc(-c3ccc(Cl)cc3)cs2)cc1OC 1872790083 JXUXBSPEUHSHBY-OVCLIPMQSA-N 475.795 6.697 50 10 JKGE COc1cccc(Br)c1C(=O)N(Cc1ccccc1)[C@@H](C)CCBr 1915129928 FCGWXQYBLMWYIE-AWEZNQCLSA-N 455.190 5.274 50 10 JKGE CC(C)[C@H](CCl)N(Cc1ccccc1)C(=O)c1c(Br)cccc1Br 1915286477 WYBQRKLKGVVMRE-KRWDZBQOSA-N 473.636 6.117 50 10 JKGE Cc1c(Br)sc([C@H](Br)[C@@H]2[C@H](C)O[C@H](C)[C@@H]2C)c1Br 1922953612 FTCLMDXGTJAJKU-BAMULQLPSA-N 461.057 6.077 50 10 JKGE Clc1c(Br)sc(Br)c1[C@H](Br)CC[C@H]1CCCO1 1923070920 FLFCJKGHZOFPJK-RNFRBKRXSA-N 467.448 6.322 50 10 JKGE C[C@H](c1ccncc1Br)[C@H](Br)c1ccc(Br)c(Cl)c1 1924041961 YDWXKMKKZFLJMN-CLAHSXSESA-N 468.414 6.500 50 10 JKGE C[C@@H]([C@H](Cl)c1c(Br)sc(Br)c1Br)C(C)(F)F 1924579161 ASLDKXHSIRTVPX-DZSWIPIPSA-N 461.391 6.607 50 10 JKGE Fc1cc(Cl)cc([C@@H](Br)c2c(Cl)sc(Br)c2Cl)c1F 1925617297 HODSIHLZDNGUDQ-SSDOTTSWSA-N 471.375 7.233 50 10 JKGE Clc1ccc([C@@H](Br)c2csc(Br)c2Br)c(Cl)c1 1945191131 YZSZUALMBLZVJK-SECBINFHSA-N 479.846 7.064 50 10 JKGE Cc1cc(Br)sc1[C@H](Br)Cc1ccccc1I 1950213807 AADZIBVIGTXYIY-SNVBAGLBSA-N 486.010 6.102 50 10 JKGE CO[C@@H]1CC[C@@H]([C@H](Cl)c2c(Br)sc(Br)c2Br)C1 2006341267 RQQDKRNKHDTFRD-KCRUCZTKSA-N 467.448 6.131 50 10 JKGE Cl[C@@H](c1c(Br)sc(Br)c1Br)[C@]12C[C@H](CCO1)C2 2019933903 LDTBVKHMIGGTSS-HCPJGSBBSA-N 465.432 5.885 50 10 JKGE Clc1c(Br)sc(Br)c1[C@H](Br)[C@@H]1CC2(CCC2)CO1 2047664256 MHAXPUCFZVIBNF-POYBYMJQSA-N 479.459 6.322 50 10 JKGE FC(F)(F)c1ccc(Cn2nc3c(c2CBr)[C@@H]2C[C@@H]2C3)cc1Br 2080537574 QVBCKNDTXDSBNH-NXEZZACHSA-N 450.096 5.267 50 10 JKGE Cc1cc(Cl)c(Br)cc1[C@@H](Br)c1ccc(OCc2ccccc2)cc1 2082380405 UDBYDOQPMLOYQO-NRFANRHFSA-N 480.627 7.474 50 10 JKGE COc1cc(Cl)c([C@H](Br)c2cscc2Br)cc1Br 2082381583 GEDBSBNFNCMXIN-LBPRGKRZSA-N 475.427 6.419 50 10 JKGE Cc1cccc([C@@H](Br)c2c(Br)sc(C)c2C)c1Br 2082883546 GKSHVCUJDJXXFH-CYBMUJFWSA-N 453.037 6.683 50 10 JKGE Cc1cc(Br)c([C@H](Br)C(C)(C)[C@@H]2CCCO2)cc1Br 2093191856 BSCZKDDVIWKKIX-KBPBESRZSA-N 455.028 6.161 50 10 JKGE Cc1ccc([C@H](Br)c2cc(C3CC3)c(Br)s2)cc1Br 2094674540 WOUUNLFAOFKXBH-AWEZNQCLSA-N 465.048 6.943 50 10 JKGE Cc1cc(Br)c([C@@H](Br)C2CC(CC3CC3)C2)cc1Br 2113044466 FCRSZWRCYOAMFG-PPUFBPAQSA-N 451.040 6.782 50 10 JKGE Cc1cc(Br)c([C@H](Br)[C@H]2[C@@H]3[C@H]2CCC3(F)F)cc1Br 2114391130 DSWRHVJWLYPPTB-GZFGJDTESA-N 458.966 6.247 50 10 JKGE FC(F)(F)C1([C@H](Br)c2cc(Br)c(Br)s2)CCCCC1 2116579207 XPYYRAOJQYPUFH-SECBINFHSA-N 485.001 7.222 50 10 JKGE Cc1cc(Br)c(C)c([C@H](Br)[C@@H]2C[C@@]23CCOC3)c1Br 2136373263 ZKGDFVCBNZPLCW-COLVAYQJSA-N 453.012 5.691 50 10 JKGE COc1c(C)cc(Br)c(C)c1[C@H](Br)c1scc(Cl)c1Cl 2152521546 AREHTUZPSMSWSJ-NSHDSACASA-N 459.030 6.927 50 10 JKGE C[C@H]1CCN(Cc2ccccc2)C[C@@H]1n1c(CCl)nc2cc(Br)c(Cl)cc21 2159867063 WFTGJBCGLYZZQY-XOBRGWDASA-N 467.238 6.274 50 10 JKGE Fc1c(C[C@@H](CBr)c2cccc(Br)c2)ccc(Cl)c1Br 2166826039 XELHSLIFJKBADR-NSHDSACASA-N 485.416 6.725 50 10 JKGE C[C@@H](Cl)c1nc2cc(Cl)c(Br)cc2n1C1CC(COCc2ccccc2)C1 2169012076 SUQCXFUIMWFODH-IUDNXUCKSA-N 468.222 6.920 50 10 JKGE O=C(NC12CCC(CBr)(CC1)C2)c1c(Br)cccc1Br 2189321741 SCRNZIMVFJZLPU-UHFFFAOYSA-N 466.011 5.039 50 10 JKGE COc1cc([C@H](Br)c2cc(Br)c(Cl)cc2F)ccc1Br 2192150332 GDUQRVILKFVVPP-AWEZNQCLSA-N 487.388 6.497 50 10 JKGE Cc1cc(Br)c(C)c([C@@H](Br)[C@@H]2CC3(CCC3)CO2)c1Br 2201079415 SQYRQKRQXSZTDN-WFASDCNBSA-N 467.039 6.224 50 10 JKGE COc1cc(F)c([C@H](Br)c2cc(Br)ccc2C)cc1Br 2202903508 FTKUBGLEJFSTCP-OAHLLOKOSA-N 466.970 6.152 50 10 JKGE Brc1ccc([C@H](Br)[C@@H]2OC[C@H]3CCCC[C@@H]32)c(Br)c1 2224952804 ORCWEZCWEUEOHX-PBUVFVDJSA-N 453.012 5.853 50 10 JKGE Fc1cccc(C[C@H](Br)c2c(Br)cc(Cl)c(Cl)c2Cl)c1 2232514777 VUARUKUOYNOPOY-VIFPVBQESA-N 461.383 7.227 50 10 JKGE CC(C)(C)OC(=O)NCCSSCCNCc1cc(C(F)(F)F)ccc1Br 2236342439 SZPFWRQRENTGAG-UHFFFAOYSA-N 489.423 5.464 50 10 JKGE Fc1cc(Br)c(F)c(Br)c1[C@@H](Br)C1(Br)CCC1 2250745531 NBYFZCYRBFPRSF-SNVBAGLBSA-N 497.797 6.243 50 10 JKGE Cc1c(Br)sc([C@H](Cl)c2ccc(Cl)c(I)c2)c1C 2256334913 CZYRBTZWGDJYHT-LLVKDONJSA-N 476.004 6.714 50 10 JKGE Cc1cc(Cl)c(Cl)cc1[C@H](Br)c1sc(Br)cc1Br 2258559837 UPROQMDTONSZGU-NSHDSACASA-N 493.873 7.373 50 10 JKGE Fc1cccc(I)c1[C@H](Cl)Cc1ccc(Br)cc1Cl 2267646795 BQZLEHSJDFPSQW-LLVKDONJSA-N 473.938 6.369 50 10 JKGE Clc1ccc([C@H](Br)c2ccc(C3CCC3)s2)cc1I 2271971542 IXQLYUCQPAVAKI-HNNXBMFYSA-N 467.597 6.758 50 10 JKGE Fc1cc(Br)c(F)c(Br)c1[C@H](Br)C[C@]12CCC[C@H]1C2 2272839141 DOWNEMCIYMWVPB-AVLMYEADSA-N 458.966 6.506 50 10 JKGE Brc1cc(Br)cc(C[C@@H](Br)C2CCC3(CC2)CC3)c1 2277964679 GTJXXPCEIOHQQY-OAHLLOKOSA-N 451.040 6.488 50 10 JKGE CC1(C)CCC(C)(C)[C@@H](Cc2ccc(Br)cc2Br)[C@@H]1Br 2290338506 VHIQLJSPJKGYJN-ZFWWWQNUSA-N 467.083 6.980 50 10 JKGE CCOC(=O)C(C#N)=C1S[C@H](Cc2ccc(Cl)cc2)C(=O)N1c1ccc(Br)cc1 2293039076 AEBHOASBASKCHA-GOSISDBHSA-N 491.794 5.092 50 10 JKGE CCOC(=O)C(C#N)=Cc1cc(Br)c(OCCOc2ccc(C)cc2)c(OCC)c1 2293993178 SOMPKLQPFSVULE-UHFFFAOYSA-N 474.351 5.084 50 10 JKGE Cc1cccc(OCCOc2ccc(C=C(C#N)C(=O)NCc3ccco3)cc2Br)c1 2293993181 TZXYZVXMLCGSJB-UHFFFAOYSA-N 481.346 5.032 50 10 JKGE Cc1cc(F)c(Cl)cc1[C@@H](Br)Cc1cc(Br)cc(Br)c1 2295267252 KBSFZRZIZXNNKC-ZDUSSCGKSA-N 485.416 6.991 50 10 JKGE Brc1cc(Br)cc(C[C@H](Br)[C@H]2C[C@@H]2C2CCOCC2)c1 2295335645 MQWIASTXRGQEQD-PMPSAXMXSA-N 467.039 5.580 50 10 JKGE Brc1cc(Br)cc(C[C@H](Br)c2snc3ccccc23)c1 2295345588 NULBOMIETXMQRM-ZDUSSCGKSA-N 476.031 6.500 50 10 JKGE CCCOc1ccc(-c2nn(-c3ccccc3)cc2C=C(C#N)C(=O)NCc2ccccc2)cc1C 2296729553 XOGMAEFIDWUSTA-UHFFFAOYSA-N 476.580 5.860 50 10 JKGE CNC(=O)C(C#N)=C1SC=C(c2ccc(-c3ccc([N+](=O)[O-])cc3Cl)o2)N1c1ccccc1 2296819185 PVYBCCOMKUVJRQ-UHFFFAOYSA-N 478.917 5.541 50 10 JKGE CSC(Nc1ccc(Cl)cc1)=C(C#N)C(=O)c1cc(-c2ccccc2)c(C(F)(F)F)s1 2297563171 WBGGFTULEMHVBM-UHFFFAOYSA-N 478.948 7.480 50 10 JKGE FC(F)(F)[C@@H]1CC[C@H]1[C@H](Br)c1ccc(OCc2ccccc2)cc1Br 2314444675 OGORDLZQBFWSAZ-KYJSFNMBSA-N 478.146 7.053 50 10 JKGE Cc1cccc([C@@H](Cl)c2cc(Br)ccc2OCc2ccccc2)c1Br 2314450034 VMRZNADFNUWBMV-OAQYLSRUSA-N 480.627 7.427 50 10 JKGE Fc1cc([C@H](Cl)c2ccc(OCc3ccccc3)cc2Br)ccc1Br 2314452404 MYOHYLHQRLWICC-FQEVSTJZSA-N 484.590 7.258 50 10 JKGE CCSc1ccc(-c2nn(-c3ccccc3)cc2C=C(C#N)S(=O)(=O)c2ccc(C)cc2)cc1 2314478744 UEJBFSBZGQRWJI-UHFFFAOYSA-N 485.634 6.298 50 10 JKGE Clc1cccc([C@H](Cl)c2ccc(OCc3ccccc3)cc2Br)c1Cl 2314496105 YAQBQVFCOKOULZ-LJQANCHMSA-N 456.594 7.663 50 10 JKGE Cc1ccc(C[C@@H]2SC(=C(C#N)C(=O)NCc3ccco3)N(c3ccc(C(C)C)cc3)C2=O)cc1C 2314593850 UUDSEBBOHCVNBN-SANMLTNESA-N 499.636 5.763 50 10 JKGE FC(F)(F)C1([C@H](Br)c2sc(Cl)cc2I)CCCC1 2316657844 CCKSIAWEHYNDPR-SECBINFHSA-N 473.523 6.565 50 10 JKGE CCc1cc(Br)c([C@H](Cl)c2c(Br)c(Br)nn2C)s1 2316727101 SPUAXLIFHGQLFD-MRVPVSSYSA-N 477.447 5.660 50 10 JKGE COc1ccc(CCNC(=O)C(C#N)=CNc2ccc(-c3nc4ccc(C)cc4s3)cc2)cc1OC 2318468467 NIRDEQDKDHAIQN-UHFFFAOYSA-N 498.608 5.467 50 10 JKGE CC(C)[C@H](NC(=O)OC(C)(C)C)C(=O)NN=Cc1ccc(OCc2ccc(Cl)cc2Cl)cc1 2328799845 AEBCMHNRJSGLHO-NRFANRHFSA-N 494.419 5.572 50 10 JKGE COc1cc(C=C(C#N)c2nc3ccc(C)cc3[nH]2)ccc1OCc1ccc(C(C)(C)C)cc1 2331018091 QPIPAFPYOSAZNS-UHFFFAOYSA-N 451.570 6.821 50 10 JKGE N#CC(=C(O)CCCCCNC(=O)c1ccccc1)c1nc(-c2ccc3ccccc3c2)cs1 2331239161 RIYKSMUMDTZWFA-UHFFFAOYSA-N 467.594 6.746 50 10 JKGE C[C@H](c1ccccc1)N1C[C@H](C(O)=C(C#N)c2nc(-c3ccc4c(c3)CCCC4)cs2)CC1=O 2331239816 CKBQUROXNDDAGC-WZONZLPQSA-N 469.610 6.091 50 10 JKGE CCCOc1ccc(-c2csc(C(C#N)=C(O)Cc3c[nH]c4ccccc34)n2)cc1OCCC 2331293255 NNOGZFUZRGAEHL-UHFFFAOYSA-N 473.598 6.904 50 10 JKGE CC[C@H](C)[C@H](C(O)=C(C#N)c1nc(-c2cccc(Cl)c2)cs1)N1C(=O)c2ccccc2C1=O 2331294495 YAQRHXZJDJPWEM-LHSJRXKWSA-N 477.973 5.967 50 10 JKGE N#CC(=C(O)c1cccc(Br)c1)c1nc(-c2ccc(Cl)c(Cl)c2)cs1 2331311415 DBCBVOVCHNFONG-UHFFFAOYSA-N 452.160 6.829 50 10 JKGE CC[C@@H](C)[C@H](C(O)=C(C#N)c1nc(-c2ccc(F)cc2)cs1)N1C(=O)c2ccccc2C1=O 2331344413 LFBBLLMJLNCFND-SPLOXXLWSA-N 461.518 5.453 50 10 JKGE CCOc1ccc(OCC)c(-c2csc(C(C#N)=C(O)[C@@H](C)Oc3ccccc3C(C)C)n2)c1 2331376506 LMJJRHKRNZEGQA-GOSISDBHSA-N 478.614 6.991 50 10 JKGE COc1c(Cl)cc(-c2csc(C(C#N)=C(O)[C@@H]3CC(=O)N(C(C)C)C3)n2)cc1Cl 2331397736 ZRCRUDRIJXRKGA-GFCCVEGCSA-N 452.363 5.175 50 10 JKGE CCCCCCOc1c(Br)cc(C=C(C#N)c2nc(-c3ccccc3)cs2)cc1OC 2331439956 IZWKKMSZCOAJPR-UHFFFAOYSA-N 497.458 7.604 50 10 JKGE Cc1nsc(Br)c1[C@H](Cl)c1c(F)cc(Cl)c(Br)c1Cl 2335290829 QPXCRGXPJASEKE-VIFPVBQESA-N 468.400 6.751 50 10 JKGE C[C@@H]1CC[C@@](C)([C@@H](Br)c2ccc(OCc3ccccc3)cc2Br)C1(C)C 2336052559 BIFVCIACYBRFRI-HNKPZJSLSA-N 480.284 7.927 50 10 JKGE Cc1cc([C@H](Br)c2ccc(OCc3ccccc3)cc2Br)c(F)cc1F 2336082708 CLLNUXNRHCFZRQ-OAQYLSRUSA-N 482.162 7.099 50 10 JKGE Fc1c(Br)cc(Cl)c([C@@H](Br)[C@H]2CC3(CC3)CO2)c1Br 2337083941 FZSCKGJMLFJEGL-SCZZXKLOSA-N 477.393 6.009 50 10 JKGE Cc1cc(Br)c([C@@H](Br)[C@H]2COC3(C)CC2C3)cc1Br 2337684236 XESUWZWHMXSXKD-QWPMPIJLSA-N 453.012 5.771 50 10 JKGE Fc1cc(Br)cc(Oc2cc(Br)cc(Br)c2)c1CCl 2338865150 JGMYCQACTRMBTE-UHFFFAOYSA-N 473.361 6.644 50 10 JKGE Brc1cc(CN2CC[C@@H]3C[C@H](Br)CC[C@@H]32)ccc1I 2349824771 AIFWTAJWNUYSIE-JMSVASOKSA-N 499.028 5.192 50 10 JKGE CC[C@H]1CN(C[C@](C)(CBr)C(C)(C)C)[C@H](CC)CN1C(=O)OCc1ccccc1 2352073102 RCDJSNOUTPMIRF-DPLHUUCSSA-N 467.492 5.945 50 10 JKGE COc1ccc([C@@H](Br)[C@@H]2CC[C@H]3[C@@H](C2)C3(F)F)cc1I 2359457085 HSNANEHZHXNUAD-KMUQISDUSA-N 457.096 5.417 50 10 JKGE Fc1cc(Cl)c(Br)c(Cl)c1[C@H](Br)[C@@H]1CC[C@H]1C(F)(F)F 2360436096 NURXPPTVNJBCGX-UDJQAZALSA-N 458.902 6.920 50 10 JKGE CC1(C)[C@H]2CC[C@@H](C2)[C@]1(CCl)Cc1ccc(I)c(Br)c1 2377335453 SIKBRAWLVAPGFW-GDZNZVCISA-N 467.616 6.278 50 10 JKGE CC(C)[S@](=O)(=NC[C@@](C)(CBr)C(C)(C)C)[C@@H]1CCN(C(=O)OC(C)(C)C)C1 2380159755 HTCWCJBNAYVNTF-PJIRNLIGSA-N 467.514 5.320 50 10 JKGE Cc1ccc(C[C@@H]2S/C(=C(\C#N)C(=O)Nc3ccc(C)cc3)N(c3ccc(C)cc3)C2=O)cc1 935041 CSDBICFFYGAKAI-CHTIKVTKSA-N 467.594 5.677 50 10 JKGE Cl[C@@H](CCCCCCC[C@H](Cl)CC(Cl)(Cl)Cl)CC(Cl)(Cl)Cl 2539141 RJDHDMJENXNJDM-QWRGUYRKSA-N 459.927 8.453 50 10 JKGE in-vitro CC(C)COc1ccccc1C(=O)NNC(=O)c1ccc(NC(=O)c2ccc(C(C)(C)C)cc2)cc1 14035007 QFJWCDDQDMDIJU-UHFFFAOYSA-N 487.600 5.346 50 10 JKGE CCN(CC)S(=O)(=O)c1ccc(C(=O)Oc2ccc(/C=C(/C#N)c3ccccc3)cc2OC)cc1 31901853 XAWMRUQIARKBDG-QJOMJCCJSA-N 490.581 5.009 50 10 JKGE N#C/C(=C/c1cccc(OC(=O)CCCN2C(=O)c3ccccc3C2=O)c1)c1cccc(Cl)c1 31902508 MINOARNXQSZKSI-ZHZULCJRSA-N 470.912 5.386 50 10 JKGE CCOc1cc(C(=O)Oc2cccc(/C=C(/C#N)c3ccccc3OC)c2)cc(OCC)c1OCC 31902726 DLDHDWUGFFLFFE-JCMHNJIXSA-N 487.552 6.175 50 10 JKGE O=C(CSc1nc2ccccc2s1)N/N=C/c1ccc(-c2cccc(C(F)(F)F)c2)o1 33567996 VPMJUSPKCUJLCZ-OPEKNORGSA-N 461.490 5.818 50 10 JKGE COc1ccc(/C=C(/C#N)C(=O)Nc2ccccc2[N+](=O)[O-])cc1OCc1cccc2ccccc12 33702713 UNRSUKNRUMKPET-JCMHNJIXSA-N 479.492 5.881 50 10 JKGE Cc1ccc(NC(=O)/C(C#N)=C2/S[C@@H](Cc3ccc(Cl)cc3)C(=O)N2c2ccccc2)cc1 33719533 GMIAEOOYPGAMPI-GPSDDGMOSA-N 473.985 5.713 50 10 JKGE CCCCCCN1C(=O)C(C#N)=C(C)/C(=C\c2ccc(OCc3ccc(Cl)cc3)cc2)C1=O 38604207 BTGXQGNFSGWQTH-LFVJCYFKSA-N 462.977 6.092 50 10 JKGE Cc1ccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4oc5cc(C)c(Cl)cc5c4C)ccc32)o1 38688689 VRTNPYIDDPYBSL-HSZRJFAPSA-N 474.900 6.042 50 10 JKGE Cc1cccc(Oc2nc3c(C)cccn3c(=O)c2/C=C(\C#N)C(=O)Nc2cc(C)ccc2C)c1 39992900 PWYPQGCWHMKHFR-RCCKNPSSSA-N 464.525 5.266 50 10 JKGE CCOc1ccccc1[C@@H]1C(C#N)=C(N)Oc2cc(OC(=O)c3oc4ccc(CC)cc4c3C)ccc21 40530380 AJVPNBZTXONXLK-MHZLTWQESA-N 494.547 6.140 50 10 JKGE Cc1c(C(=O)Nc2cccc(Cl)c2Cl)oc2c1/C(=N/NC(=O)c1ccncc1)CCC2 40814007 UEBRQIZZVOKLSB-JFLMPSFJSA-N 457.317 5.013 50 10 JKGE Cc1c(C(=O)Oc2cccnc2)oc2c1/C(=N/NC(=O)C(c1ccccc1)c1ccccc1)CCC2 40815582 YCVLQYLRUICULP-UQRQXUALSA-N 479.536 5.191 50 10 JKGE Cc1ccc(C(C)C)c(OC(=O)c2oc3c(c2C)/C(=N/NC(=O)c2cccs2)CCC3)c1 40823751 WQNZUXCBTUWCLQ-NLRVBDNBSA-N 450.560 5.771 50 10 JKGE COc1cc(/C=N/NC(=O)[C@H](C)Oc2ccc(C(C)(C)C)cc2)ccc1OCCc1ccccc1 40961545 YDZJMPZUZGAPCI-CQGIGXBHSA-N 474.601 5.532 50 10 JKGE Cc1cc(/C=C(\C#N)c2cccc(C(F)(F)F)c2)c(C)n1-c1cc(C(=O)O)cc(C(=O)O)c1 59248880 JRFIIPKMHKRHRX-FBCYGCLPSA-N 454.404 5.574 50 10 JKGE COc1cc(/C=C(\C#N)C(=O)NCc2ccccc2)ccc1OCc1ccc(Cl)c(Cl)c1 59282110 AZJBUKLJKADTNS-RGVLZGJSSA-N 467.352 5.804 50 10 JKGE O=C(N/N=C/c1c(Br)sc2ccccc12)C(O)(c1ccccc1)c1ccccc1 59501989 HYYUTDNZJRHTFS-MFKUBSTISA-N 465.372 5.050 50 10 JKGE Clc1cc(Br)ccc1[C@@H](Br)c1cc2c(cc1Cl)OCCO2 109867389 XWDJQMILPIHANH-OAHLLOKOSA-N 452.957 6.011 50 10 JKGE FC(F)(F)c1cc([C@@H](Br)Cc2cccc(Br)c2)ccc1Br 124677565 GZPMBJFUTPWLLM-AWEZNQCLSA-N 486.951 6.909 50 10 JKGE CCOc1ccccc1[C@H](Br)c1cc(Br)c(C)cc1Br 128790905 MQPPTOABEWAWMQ-INIZCTEOSA-N 463.007 6.403 50 10 JKGE C[C@H]1Cc2cc([C@@H](Br)c3cc(Br)c(Br)s3)ccc2O1 128867953 UZEWQRSHEXLNOO-WPPNPWJKSA-N 467.020 6.081 50 10 JKGE COc1ccc([C@@H](Br)c2cc(Br)sc2Br)c(F)c1 228786574 SIFAIXPRWWCPIG-LLVKDONJSA-N 458.972 5.905 50 10 JKGE COc1cc(C)c(Br)cc1[C@@H](Br)c1ccc(F)c(Br)c1 234796631 DLXHJODYYKSHTM-HNNXBMFYSA-N 466.970 6.152 50 10 JKGE Fc1ccc([C@@H](Br)c2cc(Br)sc2Br)c2ccccc12 236171228 MJILCZWTZGMZNU-CQSZACIVSA-N 479.006 7.050 50 10 JKGE CC[C@@H](Oc1cccc(Br)c1)C(=O)NN=Cc1ccccc1OCc1cccc(OC)c1 254429715 HTOPYRRIBSSVEC-HSZRJFAPSA-N 497.389 5.344 50 10 JKGE Fc1ccc(N=Nc2ccc(N=P(c3ccccc3)(c3ccccc3)c3ccccc3)cc2)cc1 263627802 SWUOYBOGRRYSSB-UHFFFAOYSA-N 475.507 8.050 50 10 JKGE O=C1Cc2cc([C@H](Br)c3ccccc3Br)c(Br)cc2N1 312697000 CPWREEKBLBBBRY-OAHLLOKOSA-N 459.963 5.191 50 10 JKGE Br[C@H](c1sccc1I)c1ccc2c3c(cccc13)CC2 312897705 IXSBHXQHRKCPLP-INIZCTEOSA-N 455.158 6.089 50 10 JKGE Cc1ccc(Br)cc1[C@@H]1CN(C(=O)OC(C)(C)C)C[C@H]1CI 382721046 NLJFPYWRVKRUAG-IUODEOHRSA-N 480.184 5.143 50 10 JKGE Fc1cc(Br)cc([C@@H](Br)c2cc(Cl)c(Cl)c(Cl)c2Cl)c1 404669836 XCNJCROYPISESY-SNVBAGLBSA-N 481.801 7.686 50 10 JKGE Clc1ccc([C@H](Br)c2cc(Cl)c(Cl)c(Cl)c2Cl)cc1Br 405106882 XRDXFFVLDPLPGP-JTQLQIEISA-N 498.256 8.200 50 10 JKGE CC(C)(C)OC(=O)NCCN1CCO[C@@H](c2cccc(CCO[Si](C)(C)C(C)(C)C)c2)C1 616647690 YOBSIQUJNRFEED-JOCHJYFZSA-N 464.723 5.149 50 10 JKGE COCc1cc(Br)c([C@H](Br)c2cc(Cl)sc2Cl)s1 688087485 UBCCJBPMSYACFM-SECBINFHSA-N 451.032 6.510 50 10 JKGE Fc1cc(Br)ccc1C[C@@H](Br)c1ccc(F)c(Br)c1F 691564197 ZBVGERBQOVCTJN-SNVBAGLBSA-N 472.924 6.308 50 10 JKGE C[C@H]1[C@@H](n2c(CCCl)nc3ccc(F)c(Br)c32)CCN1Cc1ccccc1 701617191 IFDHLKLYXSYXFV-KSSFIOAISA-N 450.783 5.555 50 10 JKGE CC(C)Oc1ccc([C@@H](Br)c2scc(Br)c2Br)cc1 705462698 GBZRWOFMOWDRFM-GFCCVEGCSA-N 469.036 6.545 50 10 JKGE Fc1cc(Br)cc(COc2cccc(Br)c2CBr)c1 706818262 MLLITILWMFOOJB-UHFFFAOYSA-N 452.943 5.825 50 10 JKGE COc1cccc(C[C@H](Br)c2ccc(I)c(Br)c2)c1 721570631 ALDLCLLDKIBFLZ-ZDUSSCGKSA-N 495.980 5.741 50 10 JKGE Fc1cccc([C@H](Br)Cc2nc3ccccc3s2)c1I 721711095 OKVKRDASLFNIEF-SNVBAGLBSA-N 462.125 5.719 50 10 JKGE COc1cc(C=NNC(=O)[C@@H]2[C@@H]3CCCC[C@@]32C)ccc1OCc1ccc(Cl)cc1Cl 1084089209 FCIIGKDETAEHNI-OEOAZWSVSA-N 461.389 5.857 50 10 JKGE O=C(NN=Cc1c(Cl)cccc1Cl)c1ccc([C@@H]2Nc3ccccc3[C@H]3C=CC[C@H]32)cc1 1084106378 ZBOGLGXFOCHCQI-BSWQBHCVSA-N 462.380 6.584 50 10 JKGE Cc1cccc(COc2ccc(C=NNC(=O)c3cc4cc(Br)ccc4o3)cc2)c1 1084241725 HMCMIVXBCBDMQR-UHFFFAOYSA-N 463.331 5.847 50 10 JKGE CCOc1ccc([C@@H](O)CCC(=O)NN=Cc2cc(C)n(-c3cc(Cl)ccc3Cl)c2C)cc1 1084318617 GITTYFFREITHJD-DEOSSOPVSA-N 488.415 5.764 50 10 JKGE Cc1ccccc1OCC(=O)NN=Cc1ccc(Sc2nc3ccccc3s2)c([N+](=O)[O-])c1 1084351199 VYILBPRAVPEOBZ-UHFFFAOYSA-N 478.555 5.193 50 10 JKGE Cc1c(C(=O)N2CCCCC2)oc2c1C(=NNC(=O)c1ccc(-c3ccccc3)cc1)CCC2 1772746167 CQAZLTOXMKGOGI-UHFFFAOYSA-N 455.558 5.352 50 10 JKGE N#CSc1ccc(NC(=O)Oc2ccc(CNC(=O)c3c(F)cccc3Cl)cc2)cc1 1858899824 RQDJDECCLSWFTE-UHFFFAOYSA-N 455.898 5.593 50 10 JKGE CCCc1nn(-c2ccc(Cl)c(Cl)c2)c2c1[C@H](c1c(F)cccc1Cl)C(C#N)=C(N)O2 1865682785 XPVBAFKDXMRVBP-SFHVURJKSA-N 477.754 6.142 50 10 JKGE COc1ccc(-c2nn(-c3ccccc3)c3c2[C@@H](c2cccc(Br)c2)C(C#N)=C(N)O3)cc1 1865684687 VVHJOZWUWFFQHX-QFIPXVFZSA-N 499.368 5.529 50 10 JKGE CCc1nn(-c2cccc3ccccc23)c2c1[C@@H](c1ccc(OC(C)C)c(OC)c1)C(C#N)=C(N)O2 1865697215 PSJNFAOMLXHYDX-SANMLTNESA-N 480.568 5.602 50 10 JKGE CCCc1nn(-c2ccccn2)c2c1[C@H](c1ccc(OCc3ccccc3C)cc1)C(C#N)=C(N)O2 1865702430 ACAMEOUTDWGGOL-AREMUKBSSA-N 477.568 5.325 50 10 JKGE Cc1ccccc1COc1ccc([C@H]2C(C#N)=C(N)Oc3c2c(C)nn3Cc2ccc(F)cc2)cc1 1865703305 SUEMBYNLXKLJLS-MHZLTWQESA-N 480.543 5.485 50 10 JKGE CCCc1nn(Cc2cccc(F)c2)c2c1[C@H](c1ccc(C(F)(F)F)cc1)C(C#N)=C(N)O2 1865710619 CRFUHXFJGTUEBP-HXUWFJFHSA-N 456.443 5.260 50 10 JKGE CCCc1nn(Cc2cc(C)ccc2C)c2c1[C@H](c1ccc(Br)cc1)C(C#N)=C(N)O2 1865714838 RFDVZUKGXWZCOW-JOCHJYFZSA-N 477.406 5.481 50 10 JKGE CC[C@@H](NC(=O)c1ccc(-c2cc3ccccc3[nH]2)cc1)C(=O)Nc1ccc(SC#N)cc1 1867064782 XJJHTWZAUJAJFG-JOCHJYFZSA-N 454.555 5.555 50 10 JKGE C[C@H](CC(=O)N[C@@H](Cc1ccccc1)C(=O)Nc1ccc(SC#N)cc1)c1cccc(Cl)c1 1867185305 SZKWMUDPFQUGID-KOSHJBKYSA-N 478.017 5.773 50 10 JKGE CCc1nc(Nc2ccc(SC#N)cc2)cc(N2CCc3ccccc3[C@H]2c2ccccc2OC)n1 1868278089 RUIPHRMTLTUQEQ-LJAQVGFWSA-N 493.636 6.516 50 10 JKGE N#C/C(=C(/O)c1cc(C(F)(F)F)cc(C(F)(F)F)c1)c1nc(-c2ccc([N+](=O)[O-])cc2)cs1 1872747182 QUYRDVSYWNTRMV-ICFOKQHNSA-N 485.365 6.706 50 10 JKGE CC(C)(C)c1ccc(C(=O)NC/C(O)=C(\C#N)c2nc(-c3ccc([N+](=O)[O-])cc3)cs2)cc1 1872747231 TWISRJBTMUNGGF-VZCXRCSSSA-N 462.531 5.238 50 10 JKGE CC(C)c1ccc(-c2csc(/C(C#N)=C(O)/C=C/c3ccc(OCc4ccccc4)cc3)n2)cc1 1872752086 MTGDARXBHLPPAR-BSRAUWFDSA-N 478.617 8.019 50 10 JKGE CCOc1ccc(-c2csc(/C(C#N)=C(\O)[C@H](C)N3C(=O)c4ccccc4C3=O)n2)c(OCC)c1 1872755313 HYTUVFVSFUTLEC-DCBSDEPNSA-N 489.553 5.085 50 10 JKGE CCCOc1ccc(C/C(O)=C(\C#N)c2nc(-c3ccc(OCC)cc3OCC)cs2)cc1 1872755442 NOGFCYBVIMRLFQ-GYHWCHFESA-N 464.587 6.432 50 10 JKGE COc1cc(-c2csc(/C(C#N)=C(\O)[C@@H](C)Oc3ccccc3C(C)C)n2)c(OC)cc1Cl 1872756713 WUVFFOAREGJREN-LIDWSNAKSA-N 485.005 6.864 50 10 JKGE CCc1ccc(OCCC/C(O)=C(\C#N)c2nc(-c3cc(Cl)ccc3OC)cs2)cc1 1872758722 NIGLQJKGOYEAIS-XDOYNYLZSA-N 454.979 6.686 50 10 JKGE CCCOc1ccc(-c2csc(/C(C#N)=C/c3ccc(OCC)c(OC)c3)n2)cc1OCCC 1872790183 QGELPRIWILDRSZ-KGENOOAVSA-N 478.614 6.859 50 10 JKGE CC(C)(C)OC(=O)N1CCC[C@@H](C(=O)N/N=C/c2cccc(OCc3ccccc3Cl)c2)C1 1873499233 LAYJOWYTSFBAOF-PYNCTGKJSA-N 471.985 5.016 50 10 JKGE COc1ccc(OC)c(-c2csc(/C(C#N)=C(\O)CCCOc3ccc4ccccc4c3)n2)c1 1873920243 ASLZMNUQAINIRO-BZZOAKBMSA-N 472.566 6.632 50 10 JKGE C[C@H](CCn1c(CCCl)nc2c(Br)cc(F)cc21)N(C)Cc1ccccc1 1912692629 KQUGQSKDEUXUIN-OAHLLOKOSA-N 452.799 5.630 50 10 JKGE COc1cccc([C@H](Cl)c2c(Br)sc(Br)c2Br)c1 1924584670 AYMDBMSREXEQMC-JTQLQIEISA-N 475.427 6.372 50 10 JKGE COc1cccc(C[C@@H](Cl)c2c(Br)sc(Br)c2Br)c1 1924596925 VQTQMMUMEPCMAM-SECBINFHSA-N 489.454 6.567 50 10 JKGE Clc1c(Br)sc(Br)c1[C@H](Cl)c1cc(Br)cs1 1981402519 XOBYUXJXGHRZRT-ZCFIWIBFSA-N 485.875 7.079 50 10 JKGE Cc1cc(Br)sc1[C@H](Br)c1cc(I)ccc1F 2003650364 UTNWSGSISUOXTO-LLVKDONJSA-N 489.973 6.047 50 10 JKGE C[C@H]1CN(Cc2ccccc2)[C@H](C)CN1c1c(CBr)ccc(Br)c1Cl 2036841575 CZAWZAILQQJGQC-CABCVRRESA-N 486.679 6.097 50 10 JKGE C[C@]1(CI)CC[C@@]2(CN(Cc3ccccc3)C3(CCCCCC3)C2)O1 2038914466 SVYOFVICBOLVPF-IFMALSPDSA-N 453.408 5.728 50 10 JKGE C[C@H]1CN(CC2(CBr)CCCCCC2)C[C@H](C)N1C(=O)OCc1ccccc1 2044700607 RGLZTPNETIQNTL-PMACEKPBSA-N 451.449 5.453 50 10 JKGE Cc1c(Br)sc([C@H](Br)[C@@]23CC[C@@](C)(C2)OC3)c1Br 2058140203 YVCJYJGRFSWWBG-DRZSPHRISA-N 459.041 5.977 50 10 JKGE CCCN[C@H](c1c(Br)sc(Br)c1Cl)[C@H]1C[C@H](Br)C1 2076189447 ULCCSAFLDQZMNC-BYULHYEWSA-N 480.491 6.141 50 10 JKGE Brc1ccc(CN2CC[C@H]3CC[C@@H](Br)[C@H]2C3)c(Br)c1 2092265576 IFLNVLHZFHRWRD-WDBKCZKBSA-N 452.028 5.350 50 10 JKGE CCOc1ccc(Br)cc1[C@@H](Br)c1cc(Br)sc1C 2095698899 KQABGSVMTUKBEP-AWEZNQCLSA-N 469.036 6.465 50 10 JKGE Cn1nc(C[C@H](CBr)c2ccc(Br)cc2)c(Br)c1Cl 2096680561 DZOFVIHCBABVPK-SECBINFHSA-N 471.418 5.320 50 10 JKGE Cn1cnc2sc([C@H](Br)c3cc(Br)ccc3Br)cc21 2118614679 XZXQNYASKCACLY-GFCCVEGCSA-N 465.008 5.644 50 10 JKGE Cc1c(Br)ccc([C@H](Br)[C@H]2C[C@@H]2C2CCCC2)c1Br 2138852216 RLJOEEQQLHUZRP-WWGRRREGSA-N 451.040 6.782 50 10 JKGE C[C@@]1([C@@H](Br)c2ccc(Br)cc2Br)CCCC(F)(F)C1 2138871699 OWTBEDJHKMIBIV-QWHCGFSZSA-N 460.982 6.863 50 10 JKGE Brc1ccc([C@H](Br)c2ccc3c(c2)CCC3)c(I)c1 2142285980 AHMUVGSXZPFJJH-MRXNPFEDSA-N 491.992 6.027 50 10 JKGE Cc1ccccc1C[C@H](CBr)Cc1ccc(Br)cc1Br 2148680370 CUHZOXBSQIMZCB-ZDUSSCGKSA-N 461.035 6.316 50 10 JKGE ClC[C@H](Cc1ccccc1Br)Cc1cccc(Br)c1Br 2148755204 XTPLIJLBXOOEJI-LLVKDONJSA-N 481.453 6.614 50 10 JKGE FC1(F)C[C@]12CCC[C@@H]([C@H](Cl)c1c(Br)sc(Br)c1Cl)C2 2156117661 SSVAUOGUQDGFMA-UTMSNSNXSA-N 469.016 7.422 50 10 JKGE CN([C@@H]1CC(C)(C)[C@H]1OCc1ccccc1)S(=O)(=O)c1cc(CCl)sc1Br 2156442853 OSXXSDOXOUBCII-WBVHZDCISA-N 492.888 5.254 50 10 JKGE Cn1nc([C@H](Br)c2c(Br)cc(F)c(F)c2F)c(Br)c1Cl 2167041469 DETGPZPURABLPG-ZCFIWIBFSA-N 497.334 5.500 50 10 JKGE COc1ccc(Br)cc1CC[C@@H](Br)c1ccccc1Br 2169748916 PPGYWJUORKGNJA-OAHLLOKOSA-N 463.007 6.289 50 10 JKGE Clc1ccc(I)c(C[C@]2(CBr)CCCCC23CCC3)c1 2173630565 WKYYRPRNWWAUNH-KRWDZBQOSA-N 467.616 6.613 50 10 JKGE FC(F)(F)[C@@H]1CN(Cc2cc(Br)ccc2Br)C[C@@H]1CBr 2175153189 VMFLMPOJEGBQEN-GXSJLCMTSA-N 479.960 5.217 50 10 JKGE C[C@H](Cl)c1nc2cc(I)ccc2n1CCCCCN(C)Cc1ccccc1 2184094983 NFKUKFSERZQPOS-KRWDZBQOSA-N 495.836 6.243 50 10 JKGE COCC1(COC)C[C@@H](Br)[C@@H](c2c(Br)cccc2Br)C1 2190808942 BWTZISYXXICGIK-GXFFZTMASA-N 471.027 5.132 50 10 JKGE FC(F)(F)c1cc(Cl)cc([C@@H](Br)c2cc(Br)c(Cl)s2)c1 2200838525 STNZLHFJAQOYDT-SNVBAGLBSA-N 468.947 7.321 50 10 JKGE Cc1cc(Br)c(C)c([C@H](Cl)c2cc(Cl)cc(Cl)c2)c1Br 2201078069 MYCQMHAAQDTXPM-OAHLLOKOSA-N 457.420 7.463 50 10 JKGE C[C@@]1([C@H](Br)c2cc(Br)c(Br)cc2F)CCCC1(F)F 2225615500 ICDCQNVCEFVTKE-NEPJUHHUSA-N 464.945 6.612 50 10 JKGE Cc1cc(Br)c(C)c([C@H](Cl)c2scc(Br)c2C)c1Br 2226124300 IRIMKKSHPUWVQK-ZDUSSCGKSA-N 487.482 7.289 50 10 JKGE CCOCc1cc(Br)c([C@@H](Cl)c2nn(C)c(Cl)c2Br)s1 2233022249 OWRBDWOHRXRTFC-VIFPVBQESA-N 463.022 5.525 50 10 JKGE Cc1cc(Br)c([C@H](Br)C2CCS(=O)(=O)CC2)c(C)c1Br 2235613822 BIFQBFITNRKJOQ-CQSZACIVSA-N 489.067 5.089 50 10 JKGE Cc1ccc([C@H](Br)c2ccc(Br)c(C)c2Br)c(F)c1F 2239599809 NJTGUGXUDKMAGP-CYBMUJFWSA-N 468.961 6.591 50 10 JKGE COc1ccc([C@@H](Br)c2ccc(C)c(Br)c2C)c(Br)c1 2240811317 ZPHVFABAQOBNCX-INIZCTEOSA-N 463.007 6.321 50 10 JKGE CCN(C[C@](C)(CI)O[C@@H]1CCCC12CCC2)C(=O)OC(C)(C)C 2250323023 JQOSTOHOIVDRKY-QAPCUYQASA-N 451.389 5.177 50 10 JKGE CCCCc1ccc([C@@H](Br)c2cc(I)ccc2F)s1 2264370881 CSQUZFUTPNMCGV-HNNXBMFYSA-N 453.158 6.319 50 10 JKGE Cc1cc(Br)c([C@H](Br)c2ccc(OCc3ccccc3)cc2)c(C)c1F 2264470128 BZIYFBXBHHSSPM-OAQYLSRUSA-N 478.199 7.268 50 10 JKGE CC(C)c1cc(Br)cc([C@@H](Cl)c2cc(Br)sc2Br)c1 2265952388 CHZKFMHRNLLICN-CYBMUJFWSA-N 487.482 7.487 50 10 JKGE CC[C@@H](CC(F)(F)F)[C@H](Br)c1ccc(OC)c(I)c1 2269540861 HNFKTOIHDYBRFM-UFBFGSQYSA-N 451.064 5.714 50 10 JKGE COc1ccc([C@@H](Cl)c2ccc(Br)c(C)c2)cc1I 2269548364 WEVDHQHTGXEVRQ-HNNXBMFYSA-N 451.529 5.699 50 10 JKGE Fc1cc(Br)c(F)c(Br)c1[C@H](Br)[C@@H]1C[C@@H]2CC[C@H](C1)O2 2288485337 XPMUALUEIQBWLY-BSFVXNEUSA-N 474.965 5.883 50 10 JKGE COc1cc(C=C(C#N)C(=O)Nc2ccccc2)ccc1OCc1ccc(Cl)c(Cl)c1 2294262175 HETPJZXUFMAXJY-UHFFFAOYSA-N 453.325 6.127 50 10 JKGE COc1cc([N+](=O)[O-])ccc1NC(=O)C(C#N)=Cc1ccc(OC)c(OCc2ccc(Cl)cc2)c1 2295459708 PNPTYPZGILKOSZ-UHFFFAOYSA-N 493.903 5.390 50 10 JKGE Fc1cc([C@@H](Br)c2cc3sc(Br)cc3s2)c(F)cc1Cl 2295508629 GUFCEQPYUZOWDE-CYBMUJFWSA-N 458.574 7.141 50 10 JKGE C[C@H](NC(=O)C(C#N)=Cc1cn(-c2ccccc2)nc1-c1ccc(Cl)cc1)c1ccccc1 2296701136 YAEOXZNALZZRAW-IBGZPJMESA-N 452.945 5.977 50 10 JKGE Cc1ccc(NC(=O)C(C#N)=Cc2c(Oc3ccc(C(C)(C)C)cc3)nc3c(C)cccn3c2=O)cc1 2296720246 DTWNKFLBGWPMFM-UHFFFAOYSA-N 492.579 5.947 50 10 JKGE CCOC(=O)c1ccccc1NC=C(C#N)c1nc(-c2cccc(Br)c2)cs1 2296764715 BUDNWJQBSSBOJF-UHFFFAOYSA-N 454.349 5.726 50 10 JKGE CC1CCN(C(=O)C(C#N)=C2SC=C(c3ccc(Br)cc3)N2c2ccccc2)CC1 2296834800 CLVQRUHHFGOONK-UHFFFAOYSA-N 480.431 5.995 50 10 JKGE Cc1cc(C=C(C#N)C(=O)Nc2ccc(Br)cc2)c(C)n1-c1ccc(C(=O)O)cc1 2297504584 XGKVFUOTVYEPLE-UHFFFAOYSA-N 464.319 5.101 50 10 JKGE Cc1c(Br)sc([C@H](Br)C[C@@H]2CCC2(F)F)c1Br 2299032002 DPWIDUJKUGCCGE-NKWVEPMBSA-N 452.984 6.453 50 10 JKGE CC(F)(F)[C@@H]1C[C@@H]1[C@@H](Br)c1ccc(OCc2ccccc2)cc1Br 2299489959 UTDKOTAGBYAOBA-JZXOWHBKSA-N 460.156 6.755 50 10 JKGE CC1([C@H](Br)c2ccc(OCc3ccccc3)cc2Br)CCOCC1 2299499513 YLQNKTJYNKFVFO-LJQANCHMSA-N 454.202 6.281 50 10 JKGE Cn1ncc([C@@H](Cl)c2cc(Br)ccc2OCc2ccccc2)c1Br 2299536102 WHSIXPJNRQTOIL-KRWDZBQOSA-N 470.592 5.852 50 10 JKGE O=C(N[C@@H](CCBr)COCc1ccccc1)c1cc(Cl)ccc1Br 2303546578 GQLGEBICGPPKAP-HNNXBMFYSA-N 475.608 5.203 50 10 JKGE COc1cc(C=C(C#N)C(=O)Nc2cccc(Cl)c2Cl)ccc1OC(=O)c1ccccc1 2313630710 FHVNSWMZVMDRPF-UHFFFAOYSA-N 467.308 5.767 50 10 JKGE C[C@@H](NC(=O)C(C#N)=Cc1cc(Br)ccc1OCc1ccccc1F)c1ccccc1 2313676900 VTJJAYNTJGPTSD-QGZVFWFLSA-N 479.349 5.952 50 10 JKGE CCOc1cc(C=C(C#N)C(=O)NCc2ccc3c(c2)OCO3)ccc1OCc1ccccc1Cl 2313730234 IMBXHGKQLGIYMJ-UHFFFAOYSA-N 490.943 5.270 50 10 JKGE Fc1cc(Cl)c(Br)c(Cl)c1[C@H](Br)c1ccoc1Br 2313744491 OXODOBYUNNGIIU-MRVPVSSYSA-N 481.768 6.735 50 10 JKGE Brc1cc(OCc2ccccc2)ccc1[C@H](Br)C[C@H]1C[C@H]2CC[C@H]1C2 2314448608 JFNRWNYEIOGYGF-LXGFNABISA-N 464.241 7.290 50 10 JKGE CCCCCCCC[C@@H](Br)c1cc(Br)ccc1OCc1ccccc1 2314450362 YPEJETMFIRDHDD-OAQYLSRUSA-N 468.273 8.215 50 10 JKGE N#CC(=Cc1ccc(-c2cccc(C(F)(F)F)c2)o1)c1nc(O)c2cc(Br)ccc2n1 2314487911 LBWUZPFGNGLYPZ-UHFFFAOYSA-N 486.247 6.441 50 10 JKGE O=S1(=O)CCC[C@@H]([C@H](Br)c2cc(Br)ccc2OCc2ccccc2)C1 2314497236 IXZZJVMAYXIYHI-BEFAXECRSA-N 488.241 5.289 50 10 JKGE Fc1c(Br)cc(Cl)c([C@@H](Cl)c2occc2Br)c1Br 2315441062 BTHBVNKSMUSYPB-SECBINFHSA-N 481.768 6.688 50 10 JKGE Fc1cc(Cl)cc([C@@H](Br)c2sc(Cl)cc2I)c1F 2316606675 OSWKNXJFXRBWJD-SECBINFHSA-N 483.930 6.422 50 10 JKGE N#CC(=CNc1cc(C(F)(F)F)cc(C(F)(F)F)c1)C(=O)Nc1ccccc1C(F)(F)F 2324305205 FXGSAFJKORODOP-UHFFFAOYSA-N 467.291 6.201 50 10 JKGE Cc1cc(I)ccc1NC(=O)C(C#N)=CNc1ccc(Nc2ccccc2)cc1 2325406387 BFHNHTDBKADEDG-UHFFFAOYSA-N 494.336 5.801 50 10 JKGE N#CC(=Cc1ccc(Br)cc1)C(=O)Nc1cc(C(F)(F)F)cc(C(F)(F)F)c1 2329660617 AICMNFGWHALXCX-UHFFFAOYSA-N 463.175 6.032 50 10 JKGE N#CC(=C(O)c1ccccc1Br)c1nc(-c2ccc(Cl)cc2Cl)cs1 2331250569 DWQZGKKCVIXUGP-UHFFFAOYSA-N 452.160 6.829 50 10 JKGE CC(C)(C)c1ccc(-c2csc(C(C#N)=C(O)CCCOc3ccccc3Cl)n2)cc1 2331331931 JIYUTMSXITVLKT-UHFFFAOYSA-N 453.007 7.413 50 10 JKGE Cc1cc(C)c(C)c(-c2csc(C(C#N)=C(O)CCCOc3ccc4ccccc4c3)n2)c1C 2331366479 YTZFCIZMJYUSHC-UHFFFAOYSA-N 468.622 7.849 50 10 JKGE COc1cc(OC)c(-c2csc(C(C#N)=C(O)c3cccc(Oc4ccccc4)c3)n2)cc1Cl 2331381222 YOMUVLLZEWUUSM-UHFFFAOYSA-N 490.968 7.223 50 10 JKGE CCc1cccc(CC)c1N1C[C@@H](C(O)=C(C#N)c2nc(-c3ccc(Cl)s3)cs2)CC1=O 2331402058 KFNLLWBOAVXGMG-INIZCTEOSA-N 484.046 6.496 50 10 JKGE Brc1cc(Br)cc(C[C@@H](Br)[C@@H]2C[C@H]2C2CCCC2)c1 2335066391 HZISKRWPWGCANH-ARFHVFGLSA-N 451.040 6.344 50 10 JKGE FC(F)(F)C1([C@H](Br)c2ccc(OCc3ccccc3)cc2Br)CCCC1 2336039853 AMIWKXKJRIXBKP-GOSISDBHSA-N 492.173 7.587 50 10 JKGE CCCO[C@H]1[C@@H](OCc2cc(Br)cc(Br)c2)C[C@H]1Br 2337095838 APIDAJSOASHRBC-HZSPNIEDSA-N 457.000 5.059 50 10 JKGE Clc1ccc(COc2cccc(CBr)c2Cl)cc1I 2337277185 PXWSIZLOIISHEI-UHFFFAOYSA-N 471.947 6.072 50 10 JKGE Cc1nc(Br)c([C@H](Cl)Cc2cc(Br)cc(Br)c2)n1C 2337325587 JIRVMSGLLGCXMS-LLVKDONJSA-N 471.418 5.539 50 10 JKGE COc1c(C)cc([C@H](Br)c2cc(Br)sc2Br)cc1Cl 2337659526 HMGBCFRZGIISAH-NSHDSACASA-N 489.454 6.728 50 10 JKGE COc1cccc(OC)c1[C@@H](Br)c1sc(Cl)cc1I 2338558543 LZJGLEOIISFOQZ-GFCCVEGCSA-N 473.557 5.508 50 10 JKGE FCCOc1ccccc1[C@@H](Br)c1sc(Cl)cc1I 2338769434 WGTTWVOGHIQTDD-GFCCVEGCSA-N 475.548 5.839 50 10 JKGE Cc1coc(C)c1[C@H](Br)c1c(C)cc(Br)c(F)c1Br 2339655513 ZOURECNDIRJJMJ-LBPRGKRZSA-N 454.959 6.353 50 10 JKGE CC(C)(C)[C@@H]1CC[C@@H]1[C@H](Br)Cc1cc(Br)cc(Br)c1 2343225148 WTIJCIYTMBOPRI-RRFJBIMHSA-N 453.056 6.590 50 10 JKGE Clc1ccc(I)cc1CN1C[C@@H](Br)CC2(CCC2)C1 2352421028 KSAWLKFYRLWDCK-LBPRGKRZSA-N 454.577 5.084 50 10 JKGE Cc1ccc(Br)c([C@H](Cl)c2c(F)cc(Cl)c(Br)c2Cl)c1 2360428748 ISBQSYRRAYPLBO-ZDUSSCGKSA-N 461.383 7.294 50 10 JKGE Fc1cc(Cl)c(Br)c(Cl)c1[C@H](Cl)c1ccc(Cl)cc1Br 2360430320 XHZFDKCTXVLMST-GFCCVEGCSA-N 481.801 7.639 50 10 JKGE COc1c(Br)cc(C)c([C@@H](Br)c2nn(C)cc2Cl)c1Br 2365237596 UETBZYAOUYVZBJ-SNVBAGLBSA-N 487.417 5.400 50 10 JKGE CCOc1ccc([C@H](Cl)c2ccc(Cl)cc2I)c(Br)c1 2365598446 QKJKGUVPGCHJSV-HNNXBMFYSA-N 485.974 6.434 50 10 JKGE O=C(c1scc(Br)c1Br)N1CCC[C@H](Br)[C@@H]1C(F)(F)F 2370246036 AHCNUIVBJYWIKE-SSDLBLMSSA-N 499.972 5.204 50 10 JKGE Fc1cc(Br)cc(CCl)c1OCc1cc(I)ccc1Cl 2380452886 MHOFCQOFSQYWQQ-UHFFFAOYSA-N 489.937 6.164 50 10 JKGE Clc1ccc(I)cc1CN1C[C@H](Br)C[C@H]2CCCC[C@@H]21 2380531784 UNOUAHZTYUJYKZ-KFNAQCHYSA-N 468.604 5.473 50 10 JKGE C[C@](CI)(OC[C@H]1C[C@]12CC2(F)F)c1ccccc1Br 2380603366 VHIQUDZQFKZKTJ-HONMWMINSA-N 457.096 5.161 50 10 JKGE CC(C)(C)Oc1ccc([C@@H](Br)c2cnsc2Br)cc1Br 2381300098 UEZKFMJJMZFCQZ-GFCCVEGCSA-N 484.051 6.330 50 10 JKGE Cc1ccccc1CS/C(Nc1cccc(Cl)c1C)=C(\C#N)S(=O)(=O)c1ccccc1 20325475 FZVTZZRKXVUMFT-WCWDXBQESA-N 469.031 6.469 50 10 JKGE COc1cc(/C=C(/C#N)c2ccc(Cl)cc2)ccc1OC(=O)CCCOc1ccc(Cl)cc1 33745835 YYQNCYDGGLXHLK-HKWRFOASSA-N 482.363 6.831 50 10 JKGE CCc1ccc(O[C@@H](C)C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@H]3c2ccc(C(C)(C)C)cc2)cc1 38649860 VAUPUGUECLTYQX-VKGTZQKMSA-N 496.607 6.138 50 10 JKGE CC(C)(C)c1ccc(C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@@H]3c2ccc([N+](=O)[O-])cc2)cc1 38654344 CRUFMYQHWBOZRH-XMMPIXPASA-N 469.497 5.330 50 10 JKGE Cc1cc(C)c2c(C)c(C(=O)Oc3ccc4c(c3)OC(N)=C(C#N)[C@H]4c3cccc(F)c3)oc2c1 38700503 OOLCFZVEWWLMCP-VWLOTQADSA-N 468.484 5.935 50 10 JKGE N#C/C(=C\c1ccc(-c2cccc(Cl)c2)o1)C(=O)Nc1cc(C(F)(F)F)ccc1Cl 39884844 FELKBCJWZFDODZ-UKTHLTGXSA-N 451.231 6.818 50 10 JKGE COc1cc(/C=N/NC(=O)COc2cc(C)c(Cl)c(C)c2)ccc1OCc1ccccc1 40846804 XFLQXORPDDTJRF-MZJWZYIUSA-N 452.938 5.074 50 10 JKGE CCOc1ccc([C@H](O)CCC(=O)N/N=C\c2cc(C)n(-c3ccc(C(C)(C)C)cc3)c2C)cc1 58893366 CPORNIBOZGZLOS-LJAKKAIASA-N 475.633 5.754 50 10 JKGE C[C@H](Sc1ccccn1)C(=O)N/N=C1/C(=O)N(C(c2ccccc2)c2ccccc2)c2ccccc21 59147535 DLLAMEXUBJLIDE-JKSZJTRXSA-N 492.604 5.219 50 10 JKGE COc1ccc(-n2c(C)cc(/C=N/NC(=O)c3cc4cc(Br)ccc4o3)c2C)cc1 59304394 PLMZNRSCLRIFRJ-DHRITJCHSA-N 466.335 5.375 50 10 JKGE CCCOc1c(I)cc(/C=C(\C#N)C(=O)Nc2cccc(C)c2)cc1OCC 59483942 LMWGOBNDYMTPBO-GZTJUZNOSA-N 490.341 5.333 50 10 JKGE N#C/C(=C/c1ccc(OCc2ccc(Cl)cc2Cl)cc1)C(=O)NCc1ccc2c(c1)OCO2 96438817 CJCONABPWCCPKR-OCKHKDLRSA-N 481.335 5.524 50 10 JKGE Fc1cc(Br)c(Cl)cc1[C@@H](Cl)c1cc(Br)ccc1Br 97895047 NDOVHYVNAXFOCQ-ZDUSSCGKSA-N 491.807 7.095 50 10 JKGE CCCOc1ccc(-c2nn(-c3ccccc3)cc2/C=C(/C#N)c2nc3ccccc3n2C)cc1C 102859242 PIBIHVPJFXQZKY-NKFKGCMQSA-N 473.580 6.587 50 10 JKGE CCOc1ccc(Br)cc1[C@H](Br)Cc1cccc(Br)c1 109871733 CJGZIMGKQGFKET-OAHLLOKOSA-N 463.007 6.289 50 10 JKGE C[C@@](CI)(OCc1ccccc1Cl)c1ccccc1Br 162010175 REOWJZAITGWXNP-INIZCTEOSA-N 465.556 5.970 50 10 JKGE CCOc1ccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)/C=C\c4ccc(C)cc4)ccc32)cc1OCC 205653055 MFCIATNSNUQVHA-WOGJUPMISA-N 496.563 5.629 50 10 JKGE CCOC(=O)/C(C#N)=C\c1ccc(OC(=O)/C=C/c2ccc(OCCC(C)C)c(OC)c2)c(OC)c1 207166206 LNRPNLUULPVZCA-SQACLZPZSA-N 493.556 5.218 50 10 JKGE COc1ccc([C@H](Cl)c2cc(Br)ccc2I)cc1C 234991274 ANPBABGMWCPQEG-HNNXBMFYSA-N 451.529 5.699 50 10 JKGE Cc1cc([C@@H](Br)c2ccc(Br)cc2Br)c(Cl)cc1F 235864058 VMJDFJMZVSXFSP-AWEZNQCLSA-N 471.389 6.797 50 10 JKGE CCCCCCCCC(=O)NN=C(C)c1cccc(NC(=O)c2ccc(Br)o2)c1 254505810 UPKUEBVUSKSWBK-UHFFFAOYSA-N 462.388 5.885 50 10 JKGE O=C(NN=CC(c1ccccc1)c1ccccc1)c1ccccc1OCCOc1ccccc1 263630845 MEACFHQCUSOALR-UHFFFAOYSA-N 450.538 5.692 50 10 JKGE Brc1cc([C@@H]2CCC[C@@H](CI)O2)sc1Br 307331954 ZWQZTXLQBPSGOD-XPUUQOCRSA-N 465.976 5.318 50 10 JKGE COc1cc(Br)ccc1Oc1ccc(CBr)cc1Br 388311143 GNGMUGTUJMOENT-UHFFFAOYSA-N 450.952 5.907 50 10 JKGE Fc1cc([C@@H](Br)c2sccc2I)c(F)c(F)c1F 395652541 QAMFXKVRHABHHM-SSDOTTSWSA-N 451.020 5.393 50 10 JKGE CC[C@@H](CC(F)(F)F)[C@@H](Br)c1cc(I)cc2c1OCC2 402682608 ZXRXCSIFYFUEPD-QPUJVOFHSA-N 463.075 5.641 50 10 JKGE C[C@H]1C[C@@H](n2c(CCCl)nc3ccc(F)c(Br)c32)CN1Cc1ccccc1 689776467 XMDQAMSJNARJFZ-GOEBONIOSA-N 450.783 5.555 50 10 JKGE CC1(C)C[C@@H]([C@@H](Br)c2cc(Br)c(Br)s2)C(C)(C)O1 710053898 LKTWPGWAEBHAHM-OIBJUYFYSA-N 461.057 6.303 50 10 JKGE C[C@H]1Cc2cc(Br)cc([C@H](Br)c3occc3Br)c2O1 720030980 GQQZFENWSTYXRP-MADCSZMMSA-N 450.952 5.612 50 10 JKGE Cc1ccc(C[C@@H](Br)c2ccc(I)c(Br)c2)cc1 721571715 IGLILAREJBPQKI-CYBMUJFWSA-N 479.981 6.041 50 10 JKGE Oc1nc2ccc([C@@H](Cl)c3ccc(I)c(Br)c3)cc2o1 721573955 UURIRSZGRRPWKJ-ZDUSSCGKSA-N 464.484 5.229 50 10 JKGE Cc1sc([C@H](Cl)c2cc(Br)cc(Br)c2)c(C)c1Br 724982738 AQZUOENCDPPHCE-GFCCVEGCSA-N 473.455 6.981 50 10 JKGE CCOc1cc(/C=C(/C#N)C(=O)Nc2ccccc2Cl)ccc1OCc1cccc(F)c1 1083936846 OMXJDPHLBRWRMY-UNOMPAQXSA-N 450.897 6.002 50 10 JKGE O=C(Cc1ccccc1)NN=Cc1cc(-c2ccccc2)n(-c2ccc(Cl)cc2)c1-c1ccccc1 1084068487 MPQRTSOPXUKZRJ-UHFFFAOYSA-N 490.006 7.158 50 10 JKGE COc1ccc(C(=O)NN=Cc2c(Br)c(C)n(-c3ccc(C)c(C)c3)c2C)cc1OC 1084454772 NEXATNXQIQNZLU-UHFFFAOYSA-N 484.394 5.255 50 10 JKGE CCOc1ccc(C(=O)NN=Cc2cc(Cl)c(OCc3ccccc3)c(OCC)c2)cc1 1084539637 ZJFBCGHFQBENJU-UHFFFAOYSA-N 452.938 5.480 50 10 JKGE N#C/C(=C\c1cc(Br)c(Sc2ccc(Cl)cc2)o1)c1ccc(Br)cc1 1084597069 KCNDEXDNLSIHHC-UKTHLTGXSA-N 495.623 7.673 50 10 JKGE C/C(C(=O)NN(C(=O)c1cc(Cl)cc(Cl)c1)C(C)(C)C)=C(/C)c1cc(F)ccc1F 1088700330 FNUZYMLYKKTHRL-OUKQBFOZSA-N 455.332 6.037 50 10 JKGE COc1cc(C=NNC(=O)COc2ccccc2-c2ccccc2)ccc1OCc1ccccc1 1772754829 XMXRXEQVYQUVNC-UHFFFAOYSA-N 466.537 5.470 50 10 JKGE CCCCOc1ccc(C=NNC(=O)COc2cc(C)c(Cl)c(C)c2Br)cc1 1772756500 FBUKBQXESXPVGJ-UHFFFAOYSA-N 467.791 5.427 50 10 JKGE COc1cccc(/C=C/C(=O)Nc2cccc3c(OC(=O)Nc4ccc(SC#N)cc4)cccc23)c1 1858775865 AHPSJXJKFBDVSJ-LFIBNONCSA-N 495.560 6.684 50 10 JKGE COc1ccc(-c2nn(-c3ccccc3Cl)c3c2[C@@H](c2ccc(Cl)cc2)C(C#N)=C(N)O3)cc1 1865682985 CIKFXXKTEIVPIF-QFIPXVFZSA-N 489.362 6.073 50 10 JKGE N#CC1=C(N)Oc2c(c(-c3ccccc3)nn2Cc2ccccc2Cl)[C@H]1c1ccc(O)cc1 1865683281 CCCCXIICJZZRBB-QFIPXVFZSA-N 454.917 5.176 50 10 JKGE N#CC1=C(N)Oc2c(c(C(F)(F)F)nn2Cc2ccc(Cl)c(Cl)c2)[C@@H]1c1ccccc1F 1865683531 LXMVGMJDPGKOSO-MRXNPFEDSA-N 483.252 5.614 50 10 JKGE COc1ccc(-c2nn(-c3cccc(Cl)c3)c3c2[C@H](c2cccc(Cl)c2)C(C#N)=C(N)O3)cc1 1865684378 XWCOUBFKANCUTD-JOCHJYFZSA-N 489.362 6.073 50 10 JKGE Cc1ccc(O)c([C@@H]2C(C#N)=C(N)Oc3c2c(-c2ccccc2)nn3Cc2ccc(Cl)cc2)c1 1865686878 DFFHJGUNSCIZNY-HSZRJFAPSA-N 468.944 5.484 50 10 JKGE CCn1nc(-c2ccc(OC)cc2)c2c1OC(N)=C(C#N)[C@H]2c1ccc(OCc2ccccc2)cc1 1865689924 GQDQKYARDVGPHH-RUZDIDTESA-N 478.552 5.376 50 10 JKGE CCCCOc1ccc([C@@H]2C(C#N)=C(N)Oc3c2c(C(F)(F)F)nn3-c2cccc(Cl)c2)cc1 1865690661 YGZDMHPKYDAJGJ-LJQANCHMSA-N 488.897 5.942 50 10 JKGE CCCOc1cccc([C@H]2C(C#N)=C(N)Oc3c2c(CC)nn3-c2cccc3ccccc23)c1 1865694643 YIQUCVSLYHTSQK-VWLOTQADSA-N 450.542 5.595 50 10 JKGE CCCCCCOc1ccc([C@@H]2C(C#N)=C(N)Oc3c2c(CCC)nn3-c2ccccn2)cc1OC 1865696626 OYKWZFLHDAZZOU-RUZDIDTESA-N 487.604 5.406 50 10 JKGE CCCc1nn(-c2ccccc2)c2c1[C@@H](c1ccccc1OCc1ccccc1Cl)C(C#N)=C(N)O2 1865703647 XWFIIPNINADLHT-SANMLTNESA-N 496.998 6.275 50 10 JKGE COc1ccc([C@@H]2C(C#N)=C(N)Oc3c2c(-c2ccccc2)nn3Cc2ccc(Cl)cc2)c(OC)c1 1865708448 XBDQHUKDWLCNLX-XMMPIXPASA-N 498.970 5.487 50 10 JKGE COc1ccccc1-c1ccc(C(=O)NNC(=O)CC(c2ccccc2)c2ccccc2)c(C)n1 1865760345 SRSWQCHZHVVIQD-UHFFFAOYSA-N 465.553 5.049 50 10 JKGE COc1ccc(/C=C(\C#N)C(=O)NCC[C@H](C)c2cccc(-c3ccc(O)cc3)c2)cc1OC 1866130143 CLFILRKKPCGERX-WWJLXRQJSA-N 456.542 5.293 50 10 JKGE COCCc1nc(Nc2ccc(SC#N)cc2)cc(N2CCC(Oc3ccc(OC)cc3)CC2)n1 1868253574 MBCHIILHUMYJKP-UHFFFAOYSA-N 491.617 5.039 50 10 JKGE CN1CCN(c2cc(Nc3ccc(SC#N)cc3)nc(-c3ccccc3)n2)C[C@H]1c1ccccc1 1868364902 HGJKHVVCJPTGQV-VWLOTQADSA-N 478.625 5.953 50 10 JKGE CC[C@H](C)N1C(=O)c2ccc(/C(O)=C(\C#N)c3nc(-c4cccc(OC)c4)cs3)cc2C1=O 1872743950 ALNHQXSRTUJXMK-CEGCDYRFSA-N 459.527 5.163 50 10 JKGE CCOc1cc(/C(O)=C(\C#N)c2nc(-c3ccccc3Cl)cs2)cc(OCC)c1OCC 1872746625 QEZSLILVUBZMFK-XLNRJJMWSA-N 470.978 6.609 50 10 JKGE CCc1ccc(OCCC/C(O)=C(\C#N)c2nc(-c3ccccc3OC)cs2)c(Br)c1 1872747287 WCNDZCUGDXYJBK-UZYVYHOESA-N 499.430 6.795 50 10 JKGE CCOc1ccc(/C=C(C(/O)=C(\C#N)c2nc(-c3ccc4c(c3)OCO4)cs2)\c2ccccc2)cc1 1872752930 ZNKRXYWMWLNJFQ-MOEACLASSA-N 494.572 6.971 50 10 JKGE COc1ccc(C/C(O)=C(\C#N)c2nc(-c3ccc(Oc4ccccc4)cc3)cs2)cc1OC 1872753580 DOBAAJWYTFBUMP-GYHWCHFESA-N 470.550 6.655 50 10 JKGE CCCCCCOc1ccc(/C=C(\C#N)c2nc(-c3ccc4c(c3)OCCO4)cs2)cc1OC 1872791832 UUPKGYMUCOVCKA-KGENOOAVSA-N 476.598 6.613 50 10 JKGE CC(C)[C@H](NC(=O)OC(C)(C)C)C(=O)N/N=C/c1ccc(OCc2c(Cl)cccc2Cl)cc1 1873795595 SJTKUOJKZCSELK-HFLRGAGPSA-N 494.419 5.572 50 10 JKGE Clc1sc(Br)c(Cl)c1[C@H](Br)c1cnsc1Br 1900418143 HETKUPZRFXVWOX-SCSAIBSYSA-N 486.863 6.521 50 10 JKGE CC(C)[C@H](CBr)N(Cc1ccccc1)S(=O)(=O)c1cccc(C(F)(F)F)c1 1915302648 YWPIYFNSPCPHHY-SFHVURJKSA-N 464.347 5.316 50 10 JKGE O=C(c1csc(I)c1)N(Cc1ccccc1)C1(CBr)CCC1 1915757059 SSXZITKDEAUIIL-UHFFFAOYSA-N 490.204 5.313 50 10 JKGE Cc1c(Br)sc([C@H](Br)[C@@H]2CCC[C@@H]3CCCC[C@H]32)c1Br 1922921740 UIOBUQVFCXOXQS-FMCLSXCISA-N 485.123 7.624 50 10 JKGE Cc1ccc(C)c(C[C@H](Br)c2c(Br)sc(Br)c2Cl)c1 1923067272 ALONIFFAPSVCPC-JTQLQIEISA-N 487.482 7.222 50 10 JKGE Clc1c(Br)sc(Br)c1[C@H](Br)c1ccc2ccccc2c1 1923070757 DJSOOKJTHZQKPS-GFCCVEGCSA-N 495.461 7.564 50 10 JKGE CCc1ccc([C@@H](Cl)c2c(Br)sc(Br)c2Br)s1 1924584503 YPESVRXVWASTGN-SECBINFHSA-N 479.484 6.988 50 10 JKGE Cc1ccc(Cl)cc1[C@@H](Cl)c1c(Br)sc(Br)c1Br 1924590412 JGAINRRZYQRQIY-SNVBAGLBSA-N 493.873 7.326 50 10 JKGE COc1ccc(C)cc1[C@@H](Cl)c1c(Br)sc(Br)c1Br 1924596579 QINHBYZYXNQZPC-LLVKDONJSA-N 489.454 6.681 50 10 JKGE Brc1sc(Br)c([C@H](Br)[C@@H]2CC23CCC3)c1Br 1924616824 TZORKTDHKKKMDJ-CAHLUQPWSA-N 493.884 6.662 50 10 JKGE CCc1cc(Br)c([C@H](Br)c2cc(C)c(Br)s2)s1 1942101012 FNNQUMRMNQDECE-SNVBAGLBSA-N 459.066 6.690 50 10 JKGE Fc1cc(Br)cc(N2CCC[C@@H](OCc3ccccc3)C2)c1CBr 2013491625 XLUXGTOUHSGTQB-MRXNPFEDSA-N 457.181 5.669 50 10 JKGE Brc1cc([C@H](Br)[C@@H]2CCCCC23CCC3)c(Br)s1 2053370808 KKBOSYSKAVYXQD-JQWIXIFHSA-N 457.069 7.070 50 10 JKGE CCc1nn(C)c([C@@H](Br)c2sc(C)cc2Br)c1Br 2072302747 ODQOHYCFZSQOBX-SNVBAGLBSA-N 457.029 5.362 50 10 JKGE Clc1ccc(C[C@H](Br)c2cccc(Br)c2)c(Br)c1 2077804093 XALMRSZBVLJIRE-ZDUSSCGKSA-N 453.399 6.544 50 10 JKGE CCCC[C@H](C)CC[C@H](Br)c1sc(Br)c(C)c1Br 2086056976 LXRUIODQRSAFKZ-ONGXEEELSA-N 461.101 7.624 50 10 JKGE C[C@@H](c1cnn(Cc2ccccc2)c1)n1c(CCl)nc2cc(I)ccc21 2090023816 PWXXXYOKLXTWLF-AWEZNQCLSA-N 476.749 5.234 50 10 JKGE Cc1cc(F)c([C@H](Br)c2cccc(Br)c2Br)cc1C 2092333854 DCVJLOSGTXHQQO-CQSZACIVSA-N 450.971 6.452 50 10 JKGE Cc1cc([C@@H](Br)c2c(Br)cccc2Br)c(C)cc1Cl 2094090097 DFVLZWCWGFFBAW-OAHLLOKOSA-N 467.426 6.966 50 10 JKGE C[C@H](Br)C12CCC(CC1)N2Cc1ccc(Br)cc1Br 2097056210 DXMRDEJIFGKCMZ-KKJMOOEGSA-N 452.028 5.492 50 10 JKGE Fc1cc(Cl)c(Br)cc1[C@@H](Br)Cc1ccc(Br)cc1 2097835304 RDKDXHSSTOEQAI-NSHDSACASA-N 471.389 6.683 50 10 JKGE CC1(C)CC(CBr)(CNC(=O)c2csc(Br)c2Br)C1 2102088871 BYNPITLWEJRMJS-UHFFFAOYSA-N 474.056 5.204 50 10 JKGE Fc1cc(Cl)c(Br)cc1[C@@H](Br)c1c(Cl)cccc1Br 2113163833 BZDQNFROZVYVPW-CYBMUJFWSA-N 491.807 7.142 50 10 JKGE Fc1cc(Br)cc(N2C[C@H]3CCN(Cc4ccccc4)C[C@@H]3C2)c1CBr 2114260663 IWOYXOZGZBWJAF-IAGOWNOFSA-N 482.235 5.441 50 10 JKGE CC1(C)C[C@@](C)(CBr)CN1Cc1cccc(Br)c1Br 2134833621 QMGDNGNCMIWVKP-HNNXBMFYSA-N 454.044 5.597 50 10 JKGE Cc1c(Br)ccc([C@H](Br)[C@@H]2[C@H]3CCC(F)(F)[C@H]32)c1Br 2138869626 BMDYSFWBTBRJRR-OSWAYODCSA-N 458.966 6.247 50 10 JKGE CC(C)(CBr)[C@H]1CCCN1Cc1ccc(I)c(Cl)c1 2142951177 XWGDZCXYCAZEOR-CQSZACIVSA-N 456.593 5.330 50 10 JKGE C[C@@H](Cl)c1nc2cc(I)c(F)cc2n1C1(CCOCc2ccccc2)CC1 2146504525 BXCYFMWZYCMGRY-CQSZACIVSA-N 498.767 6.176 50 10 JKGE Fc1ccc2nc(CCl)n([C@@H]3CCOC[C@H]3OCc3ccccc3)c2c1Br 2146519493 HFNQJOZFEXPLJV-IAGOWNOFSA-N 453.739 5.224 50 10 JKGE ClCc1nc2cc(Br)c(Cl)cc2n1Cc1sccc1Br 2159868179 NREIHIPKTXEWAA-UHFFFAOYSA-N 455.002 6.063 50 10 JKGE FC1(F)[C@H]2C[C@@H](Oc3c(Br)cc(Br)cc3CBr)CC[C@H]21 2166005395 SQDOWOAWLDKLGT-AXFHLTTASA-N 474.965 5.919 50 10 JKGE CCn1cc(Br)c([C@H](Br)c2scc(C(F)(F)F)c2Br)n1 2181175635 MBZMOGSHFWLQIJ-QMMMGPOBSA-N 496.972 5.993 50 10 JKGE Cc1ccc(Cl)cc1[C@H](Br)c1c(C)c(Br)cc(C)c1Br 2201072404 UQGNKSQAXXBSQN-INIZCTEOSA-N 481.453 7.275 50 10 JKGE COc1cc(Cl)c([C@H](Cl)c2nn(C)c(Cl)c2Br)cc1Br 2202363586 YDWXINMMADZSID-JTQLQIEISA-N 463.384 5.589 50 10 JKGE COc1c(Cl)cc(Br)cc1[C@H](Br)c1ccc(C)cc1Br 2203004193 QNNIVVVLFHNWNM-CQSZACIVSA-N 483.425 6.666 50 10 JKGE COc1cc(F)ccc1[C@@H](Br)c1cc(Br)sc1Br 2218599781 CDLRPPJJZSRLFI-LLVKDONJSA-N 458.972 5.905 50 10 JKGE Cc1cc([C@H](Br)c2sc(C)c(Br)c2C)cc(C)c1Br 2227421790 NXXBTBMLMQFRFA-AWEZNQCLSA-N 467.064 6.991 50 10 JKGE Clc1cc(Br)ccc1C[C@@H](Br)c1c(Cl)cccc1Br 2229140217 JDMVANGXSPZZCS-LLVKDONJSA-N 487.844 7.197 50 10 JKGE Fc1cc(Br)cc2c1nc(CCl)n2C[C@@H]1CCCN(Cc2ccccc2)C1 2232924619 VAEXODLDTYZRRK-MRXNPFEDSA-N 450.783 5.589 50 10 JKGE Cc1cc(Br)c([C@H](Br)C2C[C@@H]3CCC[C@H]3C2)c(C)c1Br 2235608272 IWBSIDNIMKRTOJ-NVGCLXPQSA-N 465.067 7.091 50 10 JKGE Cc1cc(Br)c([C@H](Cl)c2c(C)nn(C)c2Br)c(C)c1Br 2235611134 VCVHULAEZBOBMX-ZDUSSCGKSA-N 485.445 5.961 50 10 JKGE BrC[C@@H]1C[C@@H]2CCCC[C@H]2N1Cc1ccc(Br)cc1Br 2240680047 RLZOQHXGIXIFMH-HZUKXOBISA-N 466.055 5.740 50 10 JKGE O=C(c1c(Br)cccc1Br)N1C[C@H](Br)CC12CCCC2 2241029505 HNGFMMUAZBMRJG-SNVBAGLBSA-N 466.011 5.134 50 10 JKGE Clc1c(Br)sc(Br)c1[C@H](Br)[C@]12CCCC[C@@H]1CC2 2260511327 HINPQWRGOYCQQF-IDALBHDPSA-N 477.487 7.333 50 10 JKGE Clc1c(Br)sc(Br)c1[C@@H](Br)C[C@@H]1CCCCC12CC2 2264962461 VNDMKCNAYGBBLB-IUCAKERBSA-N 491.514 7.723 50 10 JKGE COc1cccc([C@H](Br)c2c(Cl)sc(Br)c2Cl)c1Cl 2268255468 NIYCEZWCAJNSLN-QMMMGPOBSA-N 465.421 6.964 50 10 JKGE Brc1cccc([C@H](Br)c2ccc(C3CCC3)s2)c1Br 2271974430 YYSOYGLDQYTTKD-HNNXBMFYSA-N 465.048 7.025 50 10 JKGE C[C@@H](CC(F)(F)F)[C@@H](Br)c1c(F)cc(Br)c(F)c1Br 2272855495 XEYRCRQCLJMMPA-RNHFCUEFSA-N 474.887 6.514 50 10 JKGE Fc1cc(C[C@H](Br)c2c(Cl)sc(Br)c2Cl)ccc1Cl 2277903779 XHNWSDYIOPLLET-LURJTMIESA-N 467.412 7.289 50 10 JKGE FC(F)(F)C1([C@H](Br)Cc2cc(Br)cc(Br)c2)CCC1 2277963762 YARKXRPGEMTYMO-LLVKDONJSA-N 464.945 6.250 50 10 JKGE COc1cc(Br)c(C)cc1[C@@H](Cl)c1ccc(Cl)c(I)c1 2283577770 CVFWTVOMSNDJNY-HNNXBMFYSA-N 485.974 6.352 50 10 JKGE CC(C)Cc1ccc([C@H](Br)c2ccc(Cl)c(I)c2)cc1 2283587098 PMUNQZFUUREFNN-KRWDZBQOSA-N 463.584 6.627 50 10 JKGE C=CC[C@]1(CBr)CCCN(Cc2cc(Cl)ccc2I)C1 2287746163 WPOOXOFLLBFKFF-MRXNPFEDSA-N 468.604 5.498 50 10 JKGE Fc1cc(Br)c(F)c(Br)c1[C@H](Br)[C@@H]1C[C@H]2C[C@H]1[C@@H]1C[C@@H]21 2288348442 FPIQSGNYJAGSLE-ZLPBOKGHSA-N 470.977 6.218 50 10 JKGE N#CC(=CNc1ccccc1OC(F)(F)[C@H](F)Cl)c1nc(-c2ccc(F)cc2)cs1 2295934372 LPXRQGBWEJOPLU-IBGZPJMESA-N 453.848 6.432 50 10 JKGE CCOc1ccc(C=C(C#N)c2nc(-c3ccc(Br)cc3)cs2)c(OCC)c1 2296405713 KEDVDQSNCJVSNJ-UHFFFAOYSA-N 455.377 6.434 50 10 JKGE CCc1ccccc1N=c1cc(-c2cccnc2)nc(C2CCN(C(=O)[C@H](Cl)C(C)C)CC2)[nH]1 2296578619 ZGVSHZMBEWESDQ-RUZDIDTESA-N 478.040 5.236 50 10 JKGE CCCCCCNC(=O)C(C#N)=C1NC(=NC(=O)c2ccc(Cl)cc2Cl)c2ccccc21 2296842957 MKWNLGHSPQJVMK-UHFFFAOYSA-N 469.372 5.115 50 10 JKGE CO[C@@H]1CC[C@@H]1C[C@H](Br)c1cc(Br)ccc1OCc1ccccc1 2299488708 JCDLZBWNRAETTF-AYOQOUSVSA-N 454.202 6.279 50 10 JKGE COc1cc(CN(Cc2ccccc2)[C@@H](CBr)C2CC2)c(Br)cn1 2300090532 XSDRJANBNUNLCG-SFHVURJKSA-N 454.206 5.028 50 10 JKGE C[C@@H]1CCC[C@H]([C@H](Br)c2ccc(OCc3ccccc3)cc2Br)CC1 2314441106 VYEDMLCJLJGBJM-NRJQMVOHSA-N 466.257 7.681 50 10 JKGE Brc1cc(OCc2ccccc2)ccc1[C@@H](Br)[C@@H]1COC2(CCC2)C1 2314442374 FPBXPYUNMQWLBT-JXFKEZNVSA-N 466.213 6.423 50 10 JKGE Cl[C@@H](Cc1ccc(Br)cc1)c1ccc(OCc2ccccc2)cc1Br 2314498527 VKULBZIJHYYINH-NRFANRHFSA-N 480.627 7.313 50 10 JKGE Fc1cc([C@@H](Cl)c2cc(Br)ccc2OCc2ccccc2)ccc1Br 2314502459 IZZCICJNRDSEBK-HXUWFJFHSA-N 484.590 7.258 50 10 JKGE N#CC(=Cc1ccc(-c2cc(Cl)cc(Cl)c2)o1)C(=O)Nc1ccc(Cl)c(Cl)c1 2314571981 PWKKOFFTBWUBJB-UHFFFAOYSA-N 452.124 7.106 50 10 JKGE CC(C)(C)c1ccc(C=CC(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@H]3c2cccs2)cc1 2314634514 CFOZJAAZZOEGAM-VWLOTQADSA-N 456.567 5.883 50 10 JKGE C[C@@H]([C@H](Br)c1c(Cl)cc(Br)c(F)c1Br)C(C)(C)C 2315451120 LIPARSVZZUZZSH-WKEGUHRASA-N 465.426 7.122 50 10 JKGE N#CC(=CNCCc1ccc(Br)cc1)C(=O)Nc1ccccc1Sc1ccccc1 2325339673 HVBDMNNOVOLWMJ-UHFFFAOYSA-N 478.415 5.779 50 10 JKGE Cc1ccc2nc(-c3ccc(NC=C(C#N)C(=O)N4CCN(Cc5ccccc5)CC4)cc3)sc2c1 2325449241 WRWNRAVQENTSCN-UHFFFAOYSA-N 493.636 5.436 50 10 JKGE CCOc1cc(C=C(C#N)c2nc(O)c3ccccc3n2)ccc1OCc1ccc(Cl)cc1 2331029128 CMVMGHKETWWSHT-UHFFFAOYSA-N 457.917 6.031 50 10 JKGE CCOc1cc(C=C(C#N)c2nc(O)c3cc(OC)c(OC)cc3n2)ccc1OCc1ccc(C)cc1 2331042667 VQDLLNALYZVYDA-UHFFFAOYSA-N 497.551 5.703 50 10 JKGE Cc1ccc(OCC(O)=C(C#N)c2nc(-c3ccc(Br)cc3)cs2)c(C(C)(C)C)c1 2331260652 WANIYLFXDJDGSD-UHFFFAOYSA-N 483.431 7.050 50 10 JKGE CCCCCCCOc1ccc(-c2csc(C(C#N)=C(O)Cc3ccccc3Cl)n2)cc1 2331344879 VLJNUIMXSQOOIN-UHFFFAOYSA-N 467.034 7.848 50 10 JKGE CCCCCCCOc1ccc(-c2csc(C(C#N)=Cc3cn(C)c4ccccc34)n2)cc1 2331460693 WBLXHRMLYOGMJG-UHFFFAOYSA-N 455.627 7.715 50 10 JKGE COc1c(Br)cc(C)c([C@H](Br)[C@H]2CCCCO2)c1Br 2339652398 YYNSBZNTYXZWQY-ZYHUDNBSSA-N 457.000 5.534 50 10 JKGE COc1c(Br)cc(C)c([C@@H](Br)C[C@H]2CCC2(F)F)c1Br 2365176980 VKFUKKWDFAQUQQ-BDAKNGLRSA-N 476.981 6.400 50 10 JKGE Cc1cc(Br)c(F)c(Br)c1[C@H](Br)[C@@H]1[C@@H]2CCC(F)(F)[C@H]21 2365222784 HAJGFPQOSUFSCD-HCPDIIQCSA-N 476.956 6.386 50 10 JKGE CC(C)[C@H](Br)C(C)(C)CN(C)C(=O)c1cc(Br)sc1Br 2365989974 BBZNYDDQRKPENX-NSHDSACASA-N 490.099 5.791 50 10 JKGE Clc1ccc(CN2C[C@H]3CCC[C@@](CBr)(C3)C2)c(I)c1 2366715149 OEFDIIXCCQJQIJ-LRDDRELGSA-N 468.604 5.332 50 10 JKGE FC(F)(F)[C@H]1[C@@H](Br)CCCN1Cc1cc(Br)ccc1Br 2370294052 HGCMHIWFBAJPBS-NWDGAFQWSA-N 479.960 5.502 50 10 JKGE CC[C@@]1(C)Cc2ccccc2C(=O)[C@@]12SS[C@@]1(S2)C(=O)c2ccccc2C[C@@]1(C)CC 1659710 RUWJPVKEUGOGNU-FATVKVNYSA-N 468.709 7.218 50 10 JKGE O=C(CCCCBr)Oc1c(Br)cc(Br)cc1Br 3013812 KNROLIWSTVGQGB-UHFFFAOYSA-N 493.815 5.445 50 10 JKGE N#C/C(=C\c1cccn1-c1ccc([N+](=O)[O-])cc1)c1nc(-c2cc3ccccc3oc2=O)cs1 35518639 NDAVHGOVJXJXRU-SFQUDFHCSA-N 466.478 5.680 50 10 JKGE C=CCOc1ccc(C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@H]3c2c(F)cccc2Cl)cc1 38680414 KOJGGTUCRDKRBG-QHCPKHFHSA-N 476.891 5.481 50 10 JKGE CCCOc1ccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4ccccc4C)ccc32)cc1OCC 38683756 PYTKIIJXYCZCGS-MHZLTWQESA-N 484.552 5.620 50 10 JKGE Cc1ccc2oc(C(=O)Oc3ccc4c(c3)OC(N)=C(C#N)[C@H]4c3ccccc3F)c(C)c2c1 38688013 GGINGUGILYKKSY-DEOSSOPVSA-N 454.457 5.626 50 10 JKGE Cc1cc(C)cc(OC(=O)c2oc3c(c2C)/C(=N/NC(=O)c2ccc(Br)cc2)CCC3)c1 40811753 GXMQEGNDDBKKRB-NHFJDJAPSA-N 495.373 5.657 50 10 JKGE CCCCCOc1ccc(/C=C/C(=O)Oc2cccc(/C=C(\C#N)C(=O)OCC)c2)cc1OC 40926658 KOHRAEJDPDWSBD-LOMPOVAFSA-N 463.530 5.353 50 10 JKGE COc1cc(/C=N/NC(=O)c2cc3cc(Br)ccc3o2)ccc1OCc1ccccc1F 59304709 FVKFWUGYUUTICZ-UVHMKAGCSA-N 497.320 5.686 50 10 JKGE O=C(N/N=C/c1ccc(OCc2ccccc2Cl)cc1)C(c1ccccc1)c1ccccc1 59410719 WGHWBCBLWNIQNE-NDZAJKAJSA-N 454.957 6.201 50 10 JKGE N#C/C(=C/Nc1ccccc1Cl)c1nc(-c2cc3cc([N+](=O)[O-])ccc3oc2=O)cs1 100480626 KFSZJAFMSDMZJN-RAXLEYEMSA-N 450.863 5.455 50 10 JKGE CC1=C(C#N)C(=O)N([C@@H](C)c2ccccc2)C(=O)/C1=C/c1ccc(-c2ccc(Br)cc2)o1 101337819 IHRWWCOSLGWPBI-NIZGNDASSA-N 487.353 6.063 50 10 JKGE Brc1cccc([C@@H](Br)c2cc(Br)ccc2Br)c1 109844720 MYODKVCYUREAHO-CYBMUJFWSA-N 483.823 6.458 50 10 JKGE Cc1cc([C@@H](Br)c2cc3[nH]c(=O)[nH]c3cc2Br)sc1Br 123429562 UJHFZDNSWSJQSY-NSHDSACASA-N 481.007 5.235 50 10 JKGE COc1c(C)cc(Br)c(C)c1[C@H](Cl)c1cccc(I)c1 125615991 KNIJBKOUGSWBMA-OAHLLOKOSA-N 465.556 6.007 50 10 JKGE CC(C)CC1([C@H](Br)c2cc(Br)ccc2Br)CCCC1 126346839 AKVQTWXHUHBCLK-OAHLLOKOSA-N 453.056 7.254 50 10 JKGE Cc1c(Br)cccc1[C@@H](Br)c1ccc(Br)c2ccccc12 127477203 VIHAKKCNIKAGLG-GOSISDBHSA-N 469.014 7.158 50 10 JKGE CCc1ccc([C@H](Br)c2cc(Br)c(C)cc2Br)s1 128768441 HODPURQIQRJNIZ-CQSZACIVSA-N 453.037 6.628 50 10 JKGE Clc1cc(Br)ccc1C[C@H](CBr)Cc1ccccc1Br 168952964 NXFSKDPNAPASPM-LLVKDONJSA-N 481.453 6.661 50 10 JKGE N#C/C(=C/Nc1cc(Cl)cc(Cl)c1)C(=O)N1CCN(C(c2ccccc2)c2ccccc2)CC1 216504125 OGRDUZOPXFQXTF-QOCHGBHMSA-N 491.422 5.747 50 10 JKGE CC[C@@H](NC(=O)/C(C#N)=C\NCc1ccc(Br)cc1)c1ccc2c(c1)CCCC2 217193181 GVPKSIQTVWBGKF-LHBRDVBXSA-N 452.396 5.092 50 10 JKGE Cc1ccc([C@H](Br)c2cc(Br)cc3c2OCC3)c(Br)c1 228442809 OIARLSQJGJKXHQ-HNNXBMFYSA-N 460.991 5.939 50 10 JKGE CCCOc1ccc([C@H](Br)c2c(Cl)cccc2Cl)cc1Br 229009923 QXVLCKUVZFDDLU-INIZCTEOSA-N 453.001 7.029 50 10 JKGE O=C1CCc2cc([C@@H](Br)c3cc(Br)sc3Br)ccc2N1 232452874 KPHUXZFMEPOHQO-CYBMUJFWSA-N 480.019 5.642 50 10 JKGE CC(C)(C)c1ccc([C@H](Br)c2cc(Cl)ccc2I)s1 232512047 RNNBIDYUZDHUMB-CQSZACIVSA-N 469.613 6.788 50 10 JKGE O=C(NN=Cc1ccc(-c2cc([N+](=O)[O-])ccc2Cl)o1)c1cc2c(ccc3ccccc32)o1 252617501 KUHMPDGTTLSTSV-UHFFFAOYSA-N 459.845 6.172 50 10 JKGE Cc1cc(C=NNC(=O)Cn2c3ccccc3c(=O)c3ccccc32)c(C)n1-c1ccc(Cl)cc1 253982886 KYRNWYOEFCYHDC-UHFFFAOYSA-N 482.971 5.366 50 10 JKGE 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 254307474 GCLRJMLUSNRQMO-VDMOFIMOSA-N 451.577 8.871 50 10 JKGE COC(=O)c1ccc([C@@H]2Nc3ccc(C(C)=NNC(=O)c4ccccc4O)cc3[C@@H]3C=CC[C@@H]32)cc1 254448548 IKEZOTBPZRETAX-VHSZZVNMSA-N 481.552 5.159 50 10 JKGE O=C(COc1ccc(OCc2ccccc2)cc1)NN=Cc1c[nH]nc1-c1ccc(Cl)c(Cl)c1 254761605 FKKSCJWGERROCB-UHFFFAOYSA-N 495.366 5.492 50 10 JKGE Cc1ccc(N=Nc2ccc(O)c(C=NNC(=O)COc3ccc(-c4ccccc4)cc3)c2)cc1C 263629005 NXUVTFSWADTKRN-UHFFFAOYSA-N 478.552 6.621 50 10 JKGE Clc1ccc(Br)c(C[C@@H](CBr)c2cccc(Br)c2)c1 311739903 SKSYZHNPBKTROH-LBPRGKRZSA-N 467.426 6.586 50 10 JKGE Clc1ccccc1C[C@@H](Br)c1cc(I)cc2c1OCC2 312343257 LJTQIMNLLIZXSL-CQSZACIVSA-N 463.540 5.558 50 10 JKGE Fc1cc(Br)cc(COc2cccc(CBr)c2Br)c1 315508155 CYQIPLIKZGVMFI-UHFFFAOYSA-N 452.943 5.825 50 10 JKGE Cc1cccc(Br)c1[C@@H](Br)c1cc(Br)ccc1Br 381504724 JMOLIOQSJNHSHA-AWEZNQCLSA-N 497.850 6.767 50 10 JKGE FC1(F)CCC[C@H]1COc1c(Br)cc(Br)cc1CBr 381551231 UQPBHPWBCPSQLG-VIFPVBQESA-N 462.954 5.921 50 10 JKGE C[C@@H](CCOCc1ccccc1)n1c(CCl)nc2cc(I)c(F)cc21 389694412 NOYGXPQWXLRMJV-ZDUSSCGKSA-N 472.729 5.687 50 10 JKGE BrCc1cc(Br)ccc1N1CC[C@H]2CC[C@@H](C1)N2Cc1ccccc1 399831628 JRWLBHRPWLQCDR-UXHICEINSA-N 464.245 5.587 50 10 JKGE Brc1cc2c(cc1[C@@H](Br)c1nscc1Br)CCO2 404956670 SECUGYAMGXIGAJ-LLVKDONJSA-N 453.981 5.087 50 10 JKGE C[C@H]([C@H]1CCN(Cc2ccccc2)C1)n1c(CCl)nc2ccc(F)c(Br)c21 689795365 SFAIBJAJUOYEGL-ZBFHGGJFSA-N 450.783 5.760 50 10 JKGE Clc1ccc(I)c(CN2[C@H]3CC[C@H]2CC(CBr)C3)c1 719113728 DLBDRSXGJWDBEF-KBPBESRZSA-N 454.577 5.083 50 10 JKGE Fc1ccc([C@H](Br)c2cccc(F)c2I)c(F)c1Cl 721732927 UNTUCTJWJRSMBK-JTQLQIEISA-N 461.446 5.846 50 10 JKGE COc1cc(/C=C(/C#N)C(=O)Nc2cc(Cl)ccc2C)ccc1OCc1ccccc1Cl 1083933223 PPYVDWUGLNZXFM-ODLFYWEKSA-N 467.352 6.435 50 10 JKGE CCOc1ccc([C@H](O)CCC(=O)NN=Cc2ccc(OCc3ccccc3F)c(OCC)c2)cc1 1084590114 XAAUMCRQWMKAPL-RUZDIDTESA-N 494.563 5.166 50 10 JKGE Cc1c(C(=O)Oc2ccc(-c3ccc(C#N)cc3)cc2)oc2c1C(=NNC(=O)c1ccccn1)CCC2 1772746351 BDUPQHPWAYCZPQ-UHFFFAOYSA-N 490.519 5.211 50 10 JKGE Cc1c(C(=O)Nc2ccc(F)cc2)oc2c1C(=NNC(=O)c1ccc(Cl)c([N+](=O)[O-])c1)CCC2 1772748054 NFGIJUDLPVCZQK-UHFFFAOYSA-N 484.871 5.011 50 10 JKGE Cc1c(C(=O)Nc2ccccn2)oc2c1C(=NNC(=O)C(c1ccccc1)c1ccccc1)CCC2 1772749489 VACQUWXSORHUBP-UHFFFAOYSA-N 478.552 5.224 50 10 JKGE CCOc1c(C=NNC(=O)COc2ccc(-c3ccccc3)cc2Br)cccc1OC 1772754433 VPXVBALYENAPGA-UHFFFAOYSA-N 483.362 5.053 50 10 JKGE CCc1nn(-c2ccc(Cl)c(Cl)c2)c2c1[C@H](c1ccc(C(C)C)cc1)C(C#N)=C(N)O2 1865686289 UDCVMIJRWYEQOV-OAQYLSRUSA-N 453.373 6.083 50 10 JKGE Cc1ccc([C@H]2C(C#N)=C(N)Oc3c2c(C(F)(F)F)nn3Cc2ccc(Cl)c(Cl)c2)cc1 1865686404 VJAMIZIYFYOEGH-KRWDZBQOSA-N 479.289 5.784 50 10 JKGE CCCCCOc1ccc([C@@H]2C(C#N)=C(N)Oc3c2c(CCC)nn3Cc2cccc(Cl)c2)cc1 1865690194 LBVCZYPHYLXKHB-RUZDIDTESA-N 491.035 6.324 50 10 JKGE CCc1ccc([C@H]2C(C#N)=C(N)Oc3c2c(-c2ccc(OC)cc2)nn3Cc2ccc(Cl)cc2)cc1 1865708699 CXSSMOJWQGZDGP-VWLOTQADSA-N 496.998 6.041 50 10 JKGE COc1ccccc1[C@H]1C(C#N)=C(N)Oc2c1c(-c1ccccc1)nn2Cc1ccc(Cl)cc1 1865710131 PDMGVYVQOZXDGQ-QHCPKHFHSA-N 468.944 5.479 50 10 JKGE CC(C)(NC(=O)C[C@@H](c1ccccc1)c1cccc(F)c1)C(=O)Nc1ccc(SC#N)cc1 1866774015 YKOUWKPSCMVUTN-QHCPKHFHSA-N 461.562 5.454 50 10 JKGE COc1cccc(-c2cc(C(=O)N[C@H](C(=O)Nc3ccc(SC#N)cc3)c3ccccc3)no2)c1 1867145420 FIIXKYXGSSZNJR-DEOSSOPVSA-N 484.537 5.033 50 10 JKGE COc1cccc(-c2nc(Nc3ccc(SC#N)cc3)cc(N3CCc4nc[nH]c4[C@H]3C)n2)c1 1868504926 AQVSWXNUPIADQW-MRXNPFEDSA-N 469.574 5.316 50 10 JKGE Cc1ccc2c(c1)nc(/C(C#N)=C/c1ccc(N3N=C(c4ccccc4)C[C@@H]3c3ccccc3)cc1)n2C 1872727865 DLJPVUYIISJEQK-XKMLASKDSA-N 493.614 7.302 50 10 JKGE N#C/C(=C(/O)c1cc(S(=O)(=O)N2CCCCC2)ccc1Cl)c1nc(-c2ccccc2)cs1 1872747934 ZVJPJCCXWZSRGJ-QOCHGBHMSA-N 486.018 5.588 50 10 JKGE COc1cc(/C(O)=C(\C#N)c2nc(-c3ccccc3)cs2)c(Br)c(OC)c1OC 1872748051 FWONIVIMBBHDKW-JXAWBTAJSA-N 473.348 5.548 50 10 JKGE N#C/C(=C(/O)CNC(=O)c1ccc(Cl)cc1Cl)c1nc(-c2ccc(Cl)c(Cl)c2)cs1 1872748639 GUJAGUHWCCAJIW-AQTBWJFISA-N 499.206 6.646 50 10 JKGE CCOc1cc(/C(O)=C(\C#N)c2nc(-c3ccc(C)c(C)c3)cs2)cc(OCC)c1OCC 1872756646 UIRGHWQYSLJSOW-GFMRDNFCSA-N 464.587 6.573 50 10 JKGE Cc1cc(C)c(-c2csc(/C(C#N)=C(\O)c3ccc4c(c3)C(=O)N(CC(C)C)C4=O)n2)c(C)c1 1872756976 LCJGXLZGSXSXLK-FLFQWRMESA-N 471.582 5.937 50 10 JKGE CCOc1cc(/C=C(\C#N)c2nc(-c3ccc4c(c3)CCCC4)cs2)ccc1OCc1ccccc1 1872782333 FAQCMUJYHUOLIK-JVWAILMASA-N 492.644 7.731 50 10 JKGE CCOc1cc(/C=C(\C#N)c2nc(-c3ccccc3OC)cs2)ccc1OCc1ccccc1 1872784261 GRMLYTRZHBYHEY-PXLXIMEGSA-N 468.578 6.861 50 10 JKGE CCCCCOc1ccc(/C=C(\C#N)c2nc(-c3cc(Cl)c(OC)cc3OC)cs2)cc1 1872793755 RCONZCBRNUFYSU-LDADJPATSA-N 469.006 7.114 50 10 JKGE CCCOc1c(Br)cc(/C=C(\C#N)c2nc(-c3c(C)cc(C)cc3C)cs2)cc1OC 1872793954 BWHZHGSZOMCXQE-VXLYETTFSA-N 497.458 7.359 50 10 JKGE CC(C)(C)OC(=O)NCCCCCC(=O)N/N=C/c1ccc(OCc2cccc(Cl)c2)cc1 1873793041 SXZQRQCEULHVEU-OGLMXYFKSA-N 474.001 5.454 50 10 JKGE BrCc1cc(Br)cc(Br)c1OC[C@@]12CC[C@@H](CO1)C2 1878927491 QSKQJLZJVCATEW-OTYXRUKQSA-N 454.984 5.054 50 10 JKGE Cc1cc(Br)c([C@H](Br)[C@H]2C[C@@H](OC(C)(C)C)C2)cc1Br 1913999429 RKOUIFLHPCUGFN-JRPNMDOOSA-N 469.055 6.550 50 10 JKGE Cc1ccc(Br)c(C(=O)N(Cc2ccccc2)[C@H](CBr)C2CC2)c1 1915311842 HNVRQLPTGJDOTA-LJQANCHMSA-N 451.202 5.573 50 10 JKGE COc1ccc([C@@H](Br)c2sc(Br)c(C)c2Br)c(OC)c1 1922888365 ZFMRFEKEQYKRMR-GFCCVEGCSA-N 485.035 6.083 50 10 JKGE Cc1ccc([C@H](Cl)c2sc(Br)cc2Br)c(Br)c1 1922943688 WKODOCCBDYDPHT-NSHDSACASA-N 459.428 6.672 50 10 JKGE COc1cccc(F)c1[C@H](Br)c1c(Br)sc(Br)c1Cl 1923068067 MNMREORYJCGHKN-VIFPVBQESA-N 493.417 6.559 50 10 JKGE Brc1cnccc1C[C@@H](Br)c1cccc(I)c1 1924044567 XWOUAUPACMELEP-GFCCVEGCSA-N 466.942 5.127 50 10 JKGE CC(C)CC1([C@H](Cl)c2c(Br)sc(Br)c2Br)CCCC1 1924596269 LXBHSAQLWVFTOT-LLVKDONJSA-N 493.530 7.922 50 10 JKGE C[C@@H](Cl)c1nc2cc(I)ccc2n1Cc1csnc1Br 1926872759 NKUNSXDDRURXJS-SSDOTTSWSA-N 482.572 5.208 50 10 JKGE Cc1c(Br)sc([C@H](Br)CC2CC(C(F)F)C2)c1Br 1926949436 DTBHKXOKKMPQAV-KAVNDROISA-N 467.011 6.699 50 10 JKGE CCCC(CBr)(CBr)Cc1ccc(Br)cc1Br 1943846237 LRWFMLVOYVMCJQ-UHFFFAOYSA-N 491.887 6.330 50 10 JKGE Cl[C@@H](c1c(Br)sc(Br)c1Br)C12CCC(CC1)O2 2017156161 FBZJGEIEQYMAIZ-QHCBANEHSA-N 465.432 6.027 50 10 JKGE CO[C@@H]1CCC[C@H]([C@H](Br)c2sc(Br)c(C)c2Br)C1 2062719987 ZUAWOZINFGSSDX-NGZCFLSTSA-N 461.057 6.223 50 10 JKGE Cc1nn(C)c(Br)c1[C@H](Br)c1c(Cl)sc(Br)c1Cl 2065889489 AWQLMCSBIOEFGJ-LURJTMIESA-N 497.865 6.106 50 10 JKGE BrCc1cc(-c2ccccc2)nn1Cc1ccccc1I 2070068985 MVLHPOBPOBOZDK-UHFFFAOYSA-N 453.121 5.098 50 10 JKGE Cc1nn(C)c([C@H](Br)c2c(Cl)sc(Cl)c2Cl)c1Br 2072302125 HHXDWTBGOSUWAK-ZCFIWIBFSA-N 453.414 5.997 50 10 JKGE CCCC1CCC([C@H](Br)c2sc(Br)cc2Br)CC1 2072700588 NGJPGXFBUGDNEA-ZPPKWKGLSA-N 459.085 7.316 50 10 JKGE COc1cc([C@H](Br)c2sncc2Br)c(OC)cc1Br 2088928294 ZLYASCRHOPEQAH-NSHDSACASA-N 471.996 5.170 50 10 JKGE Cc1cc(Br)c([C@H](Br)[C@@H]2CC[C@H]3[C@H]2C3(F)F)cc1Br 2102122006 YARXPGWOJVNNDG-SKELABPMSA-N 458.966 6.247 50 10 JKGE C[C@@H](Cl)c1nc2cc(Br)c(Cl)cc2n1CCCCOCc1ccccc1 2103814735 GWJMLHCGXLUMDS-CQSZACIVSA-N 456.211 6.749 50 10 JKGE COc1cc(F)c(Br)cc1[C@H](Br)c1cc(Br)c(Cl)s1 2115942914 PZWPZUDLIHPNOU-NSHDSACASA-N 493.417 6.559 50 10 JKGE Cc1cc(Br)c(CBr)c(N(C)Cc2ccc(Br)s2)c1 2116805576 IXCLUXXYZKKWCI-UHFFFAOYSA-N 468.052 6.113 50 10 JKGE COCc1cc(Br)c([C@H](Cl)c2ccc(I)c(C)c2)s1 2142142073 BPDWJBZDCAHJLA-CYBMUJFWSA-N 471.585 5.898 50 10 JKGE CC(C)(C)C[C@@H](CBr)CNC(=O)c1cc(Br)cc(Br)c1 2156326630 PKKBARWBGVHFQJ-JTQLQIEISA-N 470.043 5.389 50 10 JKGE Cc1cc(Br)c([C@@H](Br)[C@@H]2CCCC(C)(C)CC2)cc1Br 2157079254 NTDSFYHBARKVLE-WBMJQRKESA-N 467.083 7.563 50 10 JKGE ClCc1nc2cc(Br)c(Cl)cc2n1CCc1nccn1Cc1ccccc1 2159862996 DUCPQQAOCPTQML-UHFFFAOYSA-N 464.194 5.679 50 10 JKGE BrCc1ccc(N2CCOCC23CCN(Cc2ccccc2)CC3)cc1Br 2163146801 IVAWNXHVUYCSCR-UHFFFAOYSA-N 494.271 5.215 50 10 JKGE O=C(c1cc(Br)c(Br)s1)N1Cc2ccc(CBr)cc2C1 2167501948 PVBJGCBNFAFPSN-UHFFFAOYSA-N 480.019 5.324 50 10 JKGE Brc1ccc(Br)c([C@H](Br)Cc2ccc3c(c2)CCO3)c1 2168658710 FPPQCNVWHKFPDX-OAHLLOKOSA-N 460.991 5.825 50 10 JKGE F[C@@H](C(F)(F)F)C(F)(F)Oc1c(Br)cc(Br)cc1CCl 2175184661 WIZAPZMVSPFRAW-QMMMGPOBSA-N 450.398 5.822 50 10 JKGE CC(C)(C)CN(Cc1ccccc1)S(=O)(=O)c1c(CBr)sc2ccccc12 2179826844 XLWXQHJYNFVOBL-UHFFFAOYSA-N 466.466 6.033 50 10 JKGE CC[C@@H](N)Cc1cc(Br)cc(Br)c1OC[C@H]1C[C@H](Br)C1 2196936262 BZRLCABZLYQYPX-IRUJWGPZSA-N 470.043 5.044 50 10 JKGE Cc1cc(Br)c(C)c([C@H](Br)[C@@H]2[C@H](C)O[C@H](C)[C@@H]2C)c1Br 2201069796 LOKWLIAXYTWYHD-LAQCGZICSA-N 469.055 6.324 50 10 JKGE Cc1cc(Br)c(C)c([C@H](Br)[C@@H]2C[C@H]3C[C@H]2[C@H]2C[C@H]23)c1Br 2201070335 YRPXVQBCJZSJRY-PHQHMXHNSA-N 463.051 6.557 50 10 JKGE CC1(C)C[C@H](O[C@](C)(CI)c2ccccc2Br)C1(C)C 2204945609 LGSJWQGGTIVPNL-WMLDXEAASA-N 451.186 5.941 50 10 JKGE Cc1cc([C@H](Br)c2c(Br)cc(Cl)c(Cl)c2Cl)sc1Cl 2224305191 QKBRSXOWGSTBQB-VIFPVBQESA-N 483.867 7.917 50 10 JKGE Fc1cc(Br)c(Br)cc1[C@@H](Br)[C@@H]1CCCC2(CC2)C1 2225615817 LXDRLDGNQBBLLD-OTYXRUKQSA-N 455.003 6.757 50 10 JKGE CC[C@@H](CC(F)(F)F)[C@H](Br)c1cc(Br)c(Br)cc1F 2225632948 GLECAOKFMPWROZ-KGFZYKRKSA-N 470.924 6.765 50 10 JKGE COc1cc(Br)c([C@@H](Br)c2sc(C)c(C)c2Br)cc1C 2237634538 ZPUIJKBPBRXIPD-CQSZACIVSA-N 483.063 6.691 50 10 JKGE CC1(C)CN(C(=O)c2cc(Br)cc(Br)c2)C[C@@H]1CCBr 2238461804 WGVHYCASZRZRRY-NSHDSACASA-N 468.027 5.095 50 10 JKGE Cc1cc(C(=O)[C@H](C)Cl)c(C)n1-c1ccc(Br)cc1I 2240000255 QTFKSGGRYDGQCD-VIFPVBQESA-N 466.544 5.271 50 10 JKGE CCc1cc([C@@H](Br)c2cc(I)sn2)sc1Br 2243465205 RBMDPMOVEAXUTO-VIFPVBQESA-N 493.027 5.618 50 10 JKGE CCc1sc(Br)cc1[C@@H](Cl)c1c(F)cccc1I 2255967099 XRAJNWIOZKLEIT-CYBMUJFWSA-N 459.549 6.145 50 10 JKGE Clc1cc([C@H](Br)c2cc3sc(Br)cc3s2)sc1Cl 2263570273 ZBQQBPZMIXJGDR-JTQLQIEISA-N 463.068 7.578 50 10 JKGE COc1cc(Cl)c(Cl)cc1[C@@H](Br)c1ccccc1I 2264368706 MQNLOIUXTXBMBZ-AWEZNQCLSA-N 471.947 6.091 50 10 JKGE COc1c([C@H](Br)c2cc(Br)c(C)cc2Br)csc1Cl 2268950127 LZDFJRSYXUWZBJ-LLVKDONJSA-N 489.454 6.728 50 10 JKGE Fc1cc(Br)c(F)c(Br)c1[C@@H](Br)C1CC2(CCC2)C1 2272727174 SMGRKSHQCHWSJL-NSHDSACASA-N 458.966 6.506 50 10 JKGE CC(C)(C[C@@H](Br)c1c(F)cc(Br)c(F)c1Br)C1CC1 2272853710 LIHRPWOSUFUTJG-SECBINFHSA-N 460.982 6.752 50 10 JKGE Cc1cc(Br)c([C@H](Br)[C@@]23CCCC[C@H]2CC3)cc1Br 2273339041 ALIYYTQPIOMSTG-KNXALSJPSA-N 451.040 6.926 50 10 JKGE COc1c(Br)cc([C@@H](Br)C2(Br)CCC2)c(OC)c1C 2278040541 XNUKNJGJTRYQJS-CYBMUJFWSA-N 457.000 5.528 50 10 JKGE CCCC(CBr)(CCC)CN(C)Cc1cccc(I)c1 2280334326 AZMWBLPXBUJYMT-UHFFFAOYSA-N 452.218 5.705 50 10 JKGE Clc1cccc([C@H](Cl)c2cc(I)cc3c2OCC3)c1Br 2283189615 TWYJNOOSQSZFPK-AWEZNQCLSA-N 483.958 5.970 50 10 JKGE Fc1cc(Br)c(F)c(Br)c1[C@@H](Br)[C@H]1C[C@@H]2CCC[C@@H]2C1 2288365989 YHAQTSNLRRRFJC-ZZIUEJKTSA-N 472.993 6.752 50 10 JKGE N#CC(=Cc1cc(Br)c(O)c(Br)c1)C(=O)Nc1ccc(Cl)cc1 2293034746 COFVLMSUIHVBIW-UHFFFAOYSA-N 456.521 5.116 50 10 JKGE COc1c(Br)cc(Cl)c(C)c1[C@H](Br)c1scc(C)c1Cl 2295262787 MDDSUXTZGWFTKA-NSHDSACASA-N 459.030 6.927 50 10 JKGE N#CC(=CNc1ccc(Cl)cc1)c1nc(-c2cc3cc([N+](=O)[O-])ccc3oc2=O)cs1 2295887849 MNLFJQLNJFXHJC-UHFFFAOYSA-N 450.863 5.455 50 10 JKGE N#CC(=CNc1cccc(C(F)(F)F)c1)c1nc(-c2ccc(Br)cc2)cs1 2295891573 QSBKCYWVSDSBAZ-UHFFFAOYSA-N 450.283 6.568 50 10 JKGE COc1cccc(-c2csc(C(C#N)=CNc3ccc4c(C(F)(F)F)cc(=O)oc4c3)n2)c1 2295956302 ZCKLCCFRJCGVAH-UHFFFAOYSA-N 469.444 5.920 50 10 JKGE CCOc1ccc(-c2nn(-c3ccccc3)cc2C=C(C#N)c2nc3ccccc3s2)cc1C 2296729377 FOXQOWZSJTWUAF-UHFFFAOYSA-N 462.578 6.920 50 10 JKGE CCNC(=O)C(C#N)=Cc1cn(-c2ccccc2)nc1-c1ccc(OCc2ccccc2Cl)cc1 2296730237 LKQBWVCERFTKAQ-UHFFFAOYSA-N 482.971 5.815 50 10 JKGE FC[C@@H]1C[C@@H]1[C@@H](Br)c1c(Cl)cc(Br)c(F)c1Br 2300168401 JJWPHTIMWGDMKP-DQSPEZDDSA-N 453.346 6.046 50 10 JKGE FC1(F)[C@@H]2[C@@H]([C@H](Br)c3sc(Cl)cc3I)CC[C@H]21 2300956916 HCVDYRMZSUUDPB-HFEOUEFNSA-N 453.517 5.733 50 10 JKGE COc1ncc(Br)c(C)c1CN(Cc1ccccc1)[C@H](C)CCBr 2303085539 KDEZJTJZBCOADB-CQSZACIVSA-N 456.222 5.337 50 10 JKGE CCOC(=O)COc1c(Cl)cc(C=C(C#N)C(=O)Nc2cccc(Cl)c2Cl)cc1OC 2313570672 CPUXNUIUQDRVIA-UHFFFAOYSA-N 483.735 5.143 50 10 JKGE Cc1ccc(C)c(NC(=O)C(C#N)=Cc2cc(Br)ccc2OCc2ccc(Cl)cc2)c1 2313667578 QQXJNMBKFMKAPA-UHFFFAOYSA-N 495.804 6.844 50 10 JKGE Cc1cccc(COc2ccc(Br)cc2C=C(C#N)C(=O)Nc2cccc(Cl)c2C)c1 2313675614 FWGYCEBXNRMXPU-UHFFFAOYSA-N 495.804 6.844 50 10 JKGE Brc1ccc(OCc2ccccc2)c([C@@H](Br)[C@H]2COC3(CCC3)C2)c1 2314447013 YIXNRDMPKMDUNS-UZLBHIALSA-N 466.213 6.423 50 10 JKGE CC(=O)c1ccc(-c2ccc(C=C3C(=O)N(Cc4ccccc4Cl)C(=O)C(C#N)=C3C)o2)cc1 2314619803 FNORGXSVTYISSR-UHFFFAOYSA-N 470.912 5.595 50 10 JKGE CCCOc1ccc(C=C(C#N)C(=O)Nc2scc(-c3ccc(CC)cc3)c2C(=O)OCC)cc1 2314754781 BMTWDZSUXSGFNU-UHFFFAOYSA-N 488.609 6.489 50 10 JKGE Cc1cc(Br)c(F)c(Br)c1[C@H](Br)c1sccc1F 2317394771 AZMZIGWJSWKEJN-JTQLQIEISA-N 460.963 6.344 50 10 JKGE N#CC(=CNCCc1cccc(Br)c1)C(=O)Nc1ccc(Oc2ccccc2)cc1 2325141652 WZMNBYJIPUUINR-UHFFFAOYSA-N 462.347 5.420 50 10 JKGE CC1(C)[C@H](Br)CCCN1Cc1ccc(I)c(Br)c1 2325210674 ANVADWBTYRKPML-CYBMUJFWSA-N 487.017 5.192 50 10 JKGE N#CC(=CNCCc1cccc(Br)c1)C(=O)Nc1ccccc1Sc1ccccc1 2325339679 JJUWOEFJNSCGSO-UHFFFAOYSA-N 478.415 5.779 50 10 JKGE FC1(F)[C@H]2C[C@H]([C@H](Br)c3c(Cl)sc(Br)c3Cl)CC[C@H]21 2329710638 WJABYZUHEUMXPP-NRFSWKIWSA-N 454.989 6.935 50 10 JKGE COc1c(Cl)cc(Cl)cc1-c1csc(C(C#N)=C(O)Cc2c[nH]c3ccccc23)n1 2331362499 QZIDWBPDVMFEJI-UHFFFAOYSA-N 456.354 6.642 50 10 JKGE COc1cc(C=CC(O)=C(C#N)c2nc(-c3cc(C(C)(C)C)ccc3C)cs2)cc(OC)c1OC 2331396312 KPQSDQHIFVAQMV-UHFFFAOYSA-N 490.625 6.948 50 10 JKGE CC[C@H](C)N1C(=O)c2ccc(C(O)=C(C#N)c3nc(-c4ccc(Cl)s4)cs3)cc2C1=O 2331400772 TYGIXRJNXYETPV-NSHDSACASA-N 469.975 5.869 50 10 JKGE CCc1cccc(C)c1N1C[C@@H](C(O)=C(C#N)c2nc(-c3cc(Cl)ccc3Cl)cs2)CC1=O 2331404488 LYMIXRYLDRSAMI-INIZCTEOSA-N 498.435 6.834 50 10 JKGE COc1ccc(-c2csc(C(C#N)=C(O)CCCOc3ccc(Cl)cc3)n2)c2ccccc12 2331406402 JHTOSQOZKLTZHZ-UHFFFAOYSA-N 476.985 7.277 50 10 JKGE COc1ccc(-c2csc(C(C#N)=Cc3cc(Br)c(O)c(OC)c3)n2)c(OC)c1 2331473062 CXIPMMGARONMBV-UHFFFAOYSA-N 473.348 5.368 50 10 JKGE Brc1cc(Br)cc(C[C@@H](Br)C[C@@H]2CCC[C@@H]3C[C@H]23)c1 2335066661 PQHAERDHOGMVSI-VPWBDBDCSA-N 451.040 6.344 50 10 JKGE FC1(F)CCC[C@@H]2[C@H]([C@@H](Br)c3cc(Br)ccc3OCc3ccccc3)[C@H]21 2336038329 MKJRODWKJKCEGF-TTYHFUOFSA-N 486.194 7.146 50 10 JKGE Clc1cc(CBr)ccc1OCc1cc(Br)cc(Br)c1 2337068435 ATPBRPZQHKITBI-UHFFFAOYSA-N 469.398 6.339 50 10 JKGE Fc1c(Br)cc(Cl)c([C@H](Br)[C@H]2[C@H]3OCCC[C@@H]32)c1Br 2337084840 QHBYUZXIINYLHZ-RYGTYYGESA-N 477.393 5.865 50 10 JKGE CCN(C[C@](C)(CI)OCc1ccc(F)c(C)c1Cl)C(=O)OC(C)(C)C 2339303671 VPBLEKHIZQRUOV-IBGZPJMESA-N 499.792 5.755 50 10 JKGE COc1c(Br)cc(C)c([C@@H](Br)[C@H]2CCC2(C)C)c1Br 2339657693 AJZWVNIKMZXYGA-SKDRFNHKSA-N 455.028 6.401 50 10 JKGE Cc1cc(Br)c(F)c(Br)c1[C@H](Br)[C@@H]1CCC[C@@H](C)C1 2339679728 OHWRJRSLICWSEP-ZDSQKVDBSA-N 457.019 6.921 50 10 JKGE O=C(Nc1ccccc1CBr)c1ccc(Cl)cc1I 2340054007 IDOLPOHXCLMYNI-UHFFFAOYSA-N 450.501 5.092 50 10 JKGE C[C@H](CBr)[C@@H]1CCCCN1Cc1ccc(Cl)cc1I 2341047150 WQYDRFMQNWJXBL-ABAIWWIYSA-N 456.593 5.330 50 10 JKGE CC1(C)CC[C@H](CBr)N(Cc2cc(I)ccc2Cl)C1 2352424406 SKSUHZQQZOSQAJ-CYBMUJFWSA-N 456.593 5.330 50 10 JKGE Fc1cc(Cl)c(Br)c(Cl)c1[C@H](Br)c1cccc(Cl)c1Cl 2360494870 XKNMNKLEEULLMF-SNVBAGLBSA-N 481.801 7.686 50 10 JKGE Cc1cc(Br)c(F)c(Br)c1[C@@H](Br)[C@@H]1CCCCS1(=O)=O 2365186284 OQWXXISPJUFOHD-ONGXEEELSA-N 493.030 5.062 50 10 JKGE Cc1cc(Cl)ccc1[C@@H](Br)c1c(C)cc(Br)c(F)c1Br 2365215546 LFFBDYIQGGPUGP-CYBMUJFWSA-N 485.416 7.105 50 10 JKGE CCC1CCC(CBr)(OCc2cc(I)ccc2Cl)CC1 2380353173 ICHYXROIOXHSFP-UHFFFAOYSA-N 471.604 6.195 50 10 JKGE N#C/C(=C\c1ccc(OCc2ccccc2)cc1)C(=O)Nc1ncc(Cc2ccc(Cl)cc2)s1 16789764 VBCBWYXGHYLWFR-HYARGMPZSA-N 485.996 6.512 50 10 JKGE C/C(=N/NC(=O)[C@H](C)Nc1ccc(I)c(C)c1)c1ccc2ccccc2c1 20352477 LROLSFAMJMEQSR-GMQKBEEJSA-N 471.342 5.094 50 10 JKGE COc1cc(/C=N/NC(=O)CSc2nc3ccccc3s2)ccc1OCc1cccc(C)c1 32519986 QOGDGRVSPTZGKY-VULFUBBASA-N 477.611 5.435 50 10 JKGE N#C/C(=C/c1ccccc1OCc1c(Cl)cccc1Cl)S(=O)(=O)c1ccc(Cl)cc1 33384646 OPDPFLGSRDSIFT-PDGQHHTCSA-N 478.784 6.564 50 10 JKGE Cc1ccc2nc(Cl)c(/C=C(/C#N)c3nc(-c4ccc(Cl)c(Cl)c4)cs3)cc2c1 33391300 QZZBVWBLFPBDRU-PXNMLYILSA-N 456.785 7.691 50 10 JKGE COc1cc(/C=C(/C#N)c2nc3cc(C)c(C)cc3[nH]2)c([N+](=O)[O-])cc1OCc1ccccc1 33477521 KPAZQZRHTDKFLX-JAIQZWGSSA-N 454.486 5.740 50 10 JKGE C=CCOc1ccc(-c2nn(-c3ccccc3)cc2/C=C(\C#N)c2nc(O)c3ccccc3n2)cc1C 34983919 CGDDNIAZWKCGRZ-OQKWZONESA-N 485.547 6.126 50 10 JKGE Cc1cccc(C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@H]3c2c(Cl)cccc2Cl)c1 38679466 GSKRUZLNCFTIAI-NRFANRHFSA-N 451.309 5.739 50 10 JKGE CCCCOc1cccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4ccccc4F)ccc32)c1 38685220 MXGRPKNKTJZHDZ-VWLOTQADSA-N 458.489 5.442 50 10 JKGE N#CC1=C(N)Oc2cc(OC(=O)c3cccs3)ccc2[C@H]1c1ccc(OCc2ccccc2F)cc1 38686411 RHEWSKWDLQXSTI-AREMUKBSSA-N 498.535 5.904 50 10 JKGE Cc1ccc(Cl)cc1NC(=O)c1oc2c(c1C)/C(=N/NC(=O)c1ccc(F)cc1)CCC2 40811898 VMMRDCFYVNZJGK-MTDXEUNCSA-N 453.901 5.412 50 10 JKGE Cc1ccc(NC(=O)c2oc3c(c2C)/C(=N/NC(=O)c2ccc(O)cc2)CCC3)c(Br)c1 40812112 XQOLMWLLHJTKRF-ZXVVBBHZSA-N 496.361 5.087 50 10 JKGE CCCCNC(=O)/C(C#N)=C/c1ccc(OC(=O)c2ccccc2CCc2ccccc2)cc1 40965953 AHTONVWUOXFCEL-LKUDQCMESA-N 452.554 5.514 50 10 JKGE CCOc1ccc([C@H](O)CCC(=O)N/N=C/c2cc(C)n(-c3sc(C)c(C)c3C#N)c2C)cc1 58894399 RQYKLMMWIMZRTI-XZZBMYDMSA-N 478.618 5.007 50 10 JKGE Cc1ccc(CS/C(Nc2cccc(Cl)c2)=C(/C#N)S(=O)(=O)c2ccccc2)c(C)c1 96482171 AEBHMYNZEDGQNZ-VHXPQNKSSA-N 469.031 6.469 50 10 JKGE CCCCCCN1C(=O)C(C#N)=C(C)/C(=C\c2cn(-c3ccccc3)nc2-c2ccc(C)cc2)C1=O 101333494 DFLVLAZCFQLINH-NLRVBDNBSA-N 478.596 6.020 50 10 JKGE N#C/C(=C/Nc1ccc(Oc2ccccc2)cc1)c1nc(-c2cccc(Br)c2)cs1 102937581 CEAYUGAXBVDYSC-SDXDJHTJSA-N 474.383 7.341 50 10 JKGE N#C/C(C(=O)Nc1ccccc1)=C1\S[C@@H](Cc2ccccc2Cl)C(=O)N1c1ccc(F)cc1 102973871 VIAFLZVBDBVPPI-KVHSSYOWSA-N 477.948 5.544 50 10 JKGE COc1c(C)cc(Br)c(C)c1[C@@H](Br)c1cc(Cl)cc(Cl)c1 125718864 KFVYSRCYCJHLQL-HNNXBMFYSA-N 453.001 6.866 50 10 JKGE COc1cc([C@H](Br)c2ccc(Br)cc2)c(OC)cc1Br 134298913 VYMLBLFAPNVEBA-OAHLLOKOSA-N 464.979 5.713 50 10 JKGE Cc1ccc(Br)c(-n2c(CCl)nc3cc(I)c(F)cc32)c1 164096855 XETYKSCFUOWTOX-UHFFFAOYSA-N 479.518 5.579 50 10 JKGE Cc1csc([C@H](Br)c2cc(Br)ccc2Br)c1Cl 235947907 CRSDOKXSCVWTLV-SNVBAGLBSA-N 459.428 6.719 50 10 JKGE Clc1cc([C@H](Br)c2cc3c(cc2Br)OCCO3)c(Cl)s1 236076367 XOCQMYWZDDDKOS-GFCCVEGCSA-N 458.986 6.073 50 10 JKGE CCCOc1ccc(C=NNC(=O)CSc2nnc(-c3ccc(C)cc3)n2-c2ccc(C)cc2)cc1 254594559 UBVWMEINGQGRRC-UHFFFAOYSA-N 499.640 5.582 50 10 JKGE COc1ccc(C=NNC(=O)COc2ccc3ccccc3c2)cc1COc1cccc2cccnc12 254685580 ZILMGHXTKJMZSS-UHFFFAOYSA-N 491.547 5.505 50 10 JKGE Clc1cc([C@@H](Br)c2sccc2I)c(Cl)s1 306395039 GVGJCCDZGQWBOE-SSDOTTSWSA-N 453.979 6.205 50 10 JKGE CCCOc1ccc([C@H](Cl)c2sccc2I)cc1Br 311384625 AXSNVXBFXPPPMA-ZDUSSCGKSA-N 471.585 6.232 50 10 JKGE COc1c(Br)cc(Cl)cc1[C@@H](Br)c1ccc(OCc2ccccc2)cc1 311652197 DYZDYLQKHMSRTR-FQEVSTJZSA-N 496.626 7.174 50 10 JKGE FC(F)(F)c1csc([C@@H](Cl)c2cccc(Br)c2Cl)c1Br 312950231 KLUPYMKCVOGYOG-JTQLQIEISA-N 468.947 7.274 50 10 JKGE C[C@H](Cl)c1nc2ccc(Br)cc2n1CCCOCCOCc1ccccc1 390673399 WEYXSODNDIDZMT-INIZCTEOSA-N 451.792 5.722 50 10 JKGE ClCc1nc2cc(I)ccc2n1CCCCOCc1ccccc1 390679102 YYWRKWWQMGCONN-UHFFFAOYSA-N 454.739 5.377 50 10 JKGE BrCc1cc(Br)cc(Br)c1OCCOCC1CCC1 690383710 LFGGOOSKUHBULT-UHFFFAOYSA-N 457.000 5.302 50 10 JKGE Cc1ccc(C[C@H](Br)c2ccc(I)c(Br)c2)nc1 721580094 SMGZWKAJOIJNRQ-LBPRGKRZSA-N 480.969 5.436 50 10 JKGE Fc1cc(C[C@@H](CBr)c2ccc(Br)cc2)ccc1Br 721998854 KATIRLPXGGUQGC-LBPRGKRZSA-N 450.971 6.072 50 10 JKGE COc1ccc(NC(=O)/C(C#N)=C\c2cn(Cc3ccc(Cl)cc3Cl)c3ccccc23)cc1 725413270 HDHWDKULYKYBIJ-PDGQHHTCSA-N 476.363 6.551 50 10 JKGE COc1cc(/C=C(/C#N)C(=O)Nc2cc(Cl)ccc2C)ccc1OCc1cccc(F)c1 1083907675 ZLYUADNJHOYNKE-GRSHGNNSSA-N 450.897 5.921 50 10 JKGE O=C(COc1ccc(Cl)cc1)NN=Cc1cccc(OCc2cccc(Br)c2)c1 1084214011 CDEUAJBGODKTGA-UHFFFAOYSA-N 473.754 5.211 50 10 JKGE CCc1ccc(NC(=O)/C(C#N)=C/c2ccc(OCc3ccc(Cl)c(Cl)c3)c(OC)c2)cc1 1084603569 NAKIECAFAFIRCR-UDWIEESQSA-N 481.379 6.689 50 10 JKGE CCCOc1ccc(C=NNC(=O)COc2ccc(C(C)(C)C)cc2Br)cc1OC 1772755970 WHFMYTFHVWSEHJ-UHFFFAOYSA-N 477.399 5.073 50 10 JKGE COc1ccc(-c2nn(-c3ccccc3Cl)c3c2[C@@H](c2ccccc2)C(C#N)=C(N)O3)cc1 1865680350 HYLPHBQGTVZWDO-QFIPXVFZSA-N 454.917 5.419 50 10 JKGE COc1ccc(-c2nn(Cc3ccccc3F)c3c2[C@@H](c2ccc(C(C)C)cc2)C(C#N)=C(N)O3)cc1 1865685670 LFEZPYGKNJTWGV-SANMLTNESA-N 494.570 6.088 50 10 JKGE CCc1nn(Cc2c(F)cccc2Cl)c2c1[C@@H](c1ccc(C(C)C)cc1)C(C#N)=C(N)O2 1865685933 PGLJBARQOIGLTE-QFIPXVFZSA-N 450.945 5.628 50 10 JKGE N#CC1=C(N)Oc2c(c(C(F)(F)F)nn2-c2ccc(Cl)cc2)[C@@H]1c1ccc(Cl)cc1Cl 1865686011 QDXIPUWJRMPTAI-OAHLLOKOSA-N 485.680 6.069 50 10 JKGE Cc1ccc(O)c([C@@H]2C(C#N)=C(N)Oc3c2c(-c2ccccc2)nn3-c2ccc(Cl)c(Cl)c2)c1 1865687702 YICVFNUFLYPQIN-JOCHJYFZSA-N 489.362 6.078 50 10 JKGE CCCc1nn(-c2cccc(Cl)c2)c2c1[C@@H](c1cc(Cl)c(O)c(OC)c1)C(C#N)=C(N)O2 1865707280 SKQNAWDCXZCWTJ-IBGZPJMESA-N 471.344 5.064 50 10 JKGE CCCc1nn(Cc2cc(C)ccc2C)c2c1[C@@H](c1ccc(C(F)(F)F)cc1)C(C#N)=C(N)O2 1865711367 WMJJUTVNRUWPGE-QFIPXVFZSA-N 466.507 5.738 50 10 JKGE Cc1nc(-c2ccc(F)cc2)ccc1C(=O)NNC(=O)/C=C/c1ccc(OCc2ccccc2)cc1 1865758132 LAGXFAFRSJSMOX-GIJQJNRQSA-N 481.527 5.250 50 10 JKGE N#C/C(=C\c1ccc(Cl)cc1)C(=O)Nc1c(Br)cc(C#N)cc1Br 1866128270 GRXTZEPTBQPXHA-LFYBBSHMSA-N 465.532 5.282 50 10 JKGE COc1cccc(-c2nc(Nc3ccc(SC#N)cc3)cc(N3CCc4nc[nH]c4[C@H]3C(C)C)n2)c1 1868505994 OZYJBJITAGEAEV-AREMUKBSSA-N 497.628 5.952 50 10 JKGE CCn1c(/C(C#N)=C/c2ccc(OC(=O)c3ccc(Cl)cc3Cl)c(OC)c2)nc2ccccc21 1872731388 YQMMBWCJDWATEP-SFQUDFHCSA-N 492.362 6.655 50 10 JKGE C[C@@H](Oc1ccc(Cl)cc1Cl)/C(O)=C(\C#N)c1nc(-c2ccc(Cl)cc2)cs1 1872748224 NTBNZLOABHBGKA-QNPMFDGYSA-N 451.762 7.030 50 10 JKGE CC(C)[C@H](/C(O)=C(\C#N)c1nc(-c2ccc(C(C)(C)C)cc2)cs1)N1C(=O)c2ccccc2C1=O 1872751192 WAGFRPATHVDMRC-KXNAUXDSSA-N 485.609 6.221 50 10 JKGE COc1c(Cl)cc(Cl)cc1-c1csc(/C(C#N)=C(\O)CCCOc2c(C)cccc2C)n1 1872754463 UDDFSNODWRYSDU-UZYVYHOESA-N 489.424 7.394 50 10 JKGE CCOc1ccc(OCC)c(-c2csc(/C(C#N)=C(\O)Cc3cccc4ccccc34)n2)c1 1872754812 KDXRWUAXKLOMTP-BZZOAKBMSA-N 456.567 6.796 50 10 JKGE COc1cc(-c2csc(/C(C#N)=C(\O)CCCOc3c(C)cccc3C)n2)c(OC)cc1Cl 1872756753 ZDVYMPFFSWCMOO-UZYVYHOESA-N 485.005 6.749 50 10 JKGE CC[C@H](C)[C@H](/C(O)=C(\C#N)c1nc(-c2ccc(Cl)s2)cs1)N1C(=O)c2ccccc2C1=O 1872758234 QUBXNBPWCNSUEV-BYIRMVLCSA-N 484.002 6.029 50 10 JKGE COc1ccc(Cl)cc1/C(O)=C(\C#N)c1nc(-c2ccc(OC)c(OC)c2OC)cs1 1872759295 JWARMAIABZAEMY-CYVLTUHYSA-N 458.923 5.448 50 10 JKGE COc1cc(C)c(-c2csc(/C(C#N)=C/c3cc(Br)c(O)c(OC)c3)n2)cc1C 1872794520 GUEVDKLLJLSIAH-VIZOYTHASA-N 471.376 5.976 50 10 JKGE CCc1cccc(CC)c1N1C[C@H](/C(O)=C(\C#N)c2nc(-c3cccc([N+](=O)[O-])c3)cs2)CC1=O 1873940871 LKIIDFXAFVTVEH-FPOCJBQTSA-N 488.569 5.689 50 10 JKGE COc1ccc([C@@H](Br)c2sc(Br)c(C)c2Br)cc1OC 1922881263 BYPYDDDEHZMALU-GFCCVEGCSA-N 485.035 6.083 50 10 JKGE Cc1c(Br)sc([C@H](Br)C2(CC(F)F)CCC2)c1Br 1922933075 RSVAUVMWGMHXSZ-JTQLQIEISA-N 467.011 6.843 50 10 JKGE Cc1c(Br)sc([C@H](Br)[C@@H]2C(C)(C)C2(F)F)c1Br 1922935831 SPKLULSYBPQQCR-POYBYMJQSA-N 452.984 6.309 50 10 JKGE CC1(C)CCCC[C@H]1[C@H](Br)c1c(Br)sc(Br)c1Cl 1923037912 GPFVPCMZICIDKN-CBAPKCEASA-N 479.503 7.579 50 10 JKGE Clc1c(Br)sc(Br)c1[C@@H](Cl)c1cccc2ccccc12 1923065675 GGSXYYSOEAOXRB-LBPRGKRZSA-N 451.010 7.408 50 10 JKGE Clc1ccc(Br)cc1[C@H](Cl)c1c(Cl)sc(Br)c1Cl 1925586764 COUSZTHFUVBQFZ-QMMMGPOBSA-N 469.840 7.562 50 10 JKGE Brc1sc(Br)c([C@@H](Br)[C@]23C[C@H](CO2)C3)c1Br 1994623130 WKMWQAMEJDRBGG-XNSGURDHSA-N 495.856 5.651 50 10 JKGE Cc1sc([C@H](Br)c2c(Cl)cccc2Br)cc1Br 2003558709 ZBALIGNFWPXBHX-LBPRGKRZSA-N 459.428 6.719 50 10 JKGE Cc1c(Br)cc(CBr)cc1S(=O)(=O)N(Cc1ccccc1)C(C)C 2009646622 PDHCKSMKTGZZCW-UHFFFAOYSA-N 475.246 5.252 50 10 JKGE Fc1cc([C@@H](Cl)c2csc(Br)c2Br)c(F)cc1Br 2032958684 JVHPUQGUMYEQDL-SNVBAGLBSA-N 481.381 6.642 50 10 JKGE Cl[C@@H](Cc1c(Br)cccc1Br)c1cccc(Br)c1 2050533122 NRULBXCYQFIDGN-AWEZNQCLSA-N 453.399 6.497 50 10 JKGE Brc1cc([C@@H](Br)c2scc3c2CCCC3)c(Br)s1 2066977195 BSSOUULREDROEW-LLVKDONJSA-N 471.077 6.698 50 10 JKGE Cc1cc(Br)c([C@@H](Br)[C@H](CC(C)C)C(C)C)cc1Br 2088586254 AMUQSAQUJAYTBU-WBMJQRKESA-N 455.072 7.274 50 10 JKGE CC(C)[C@H](Br)C(=O)N(CCCNC(=O)OC(C)(C)C)c1cccc(Br)c1 2106778488 DROBZQDQKXQNSM-INIZCTEOSA-N 492.252 5.116 50 10 JKGE CCn1cc(Br)c([C@@H](Br)c2ccc(F)c(Br)c2F)n1 2124775116 XBCDFMNITADKCF-VIFPVBQESA-N 458.926 5.191 50 10 JKGE Cc1cc(Cl)c(Br)cc1[C@H](Cl)c1ccc(F)cc1I 2137657091 RHFSMCSSECHDES-CQSZACIVSA-N 473.938 6.483 50 10 JKGE C[C@H](CBr)[C@@H]1CCCCN1Cc1ccc(I)c(Cl)c1 2142949256 HVHPOAVWHPLHDY-ABAIWWIYSA-N 456.593 5.330 50 10 JKGE FC1(F)CC[C@H](COc2c(Br)cc(Br)cc2CBr)OC1 2145051496 LNLNRXABXFHNAX-SNVBAGLBSA-N 478.953 5.300 50 10 JKGE Cc1cc(Br)c([C@H](Br)[C@@H]2CC[C@]3(C2)CC3(F)F)cc1Br 2156117461 RJLMXUYPNQWYNP-FZQKWOKYSA-N 472.993 6.782 50 10 JKGE CC[C@@H](Br)CN(Cc1ccccc1)C(=O)c1ccc(OC(F)(F)F)c(Cl)c1 2163392491 YITDKYVDHGNPPH-OAHLLOKOSA-N 464.709 6.055 50 10 JKGE Clc1cccc(Br)c1[C@@H](Br)c1cc(Br)c2c(c1)CCO2 2169468193 VPKOPGWPIPBDGP-AWEZNQCLSA-N 481.409 6.284 50 10 JKGE COc1cc(Br)ccc1Oc1cc(C)cc(Br)c1CBr 2173448890 FFLPMPLCGJUJLM-UHFFFAOYSA-N 464.979 6.216 50 10 JKGE Cc1c(Br)ccc([C@@H](Br)Cc2ccc(F)cc2F)c1Br 2203688322 UKCVYYLPRXECTC-ZDUSSCGKSA-N 468.961 6.477 50 10 JKGE Brc1cccc(CN2CC[C@@H]3CC[C@H](Br)C[C@@H]3C2)c1Br 2204116518 QULHYATVOLMNDM-YUTCNCBUSA-N 466.055 5.597 50 10 JKGE COc1cc(F)c(Br)cc1[C@H](Br)c1scc(Br)c1C 2226125270 XLHQTQXDCAGTLM-LBPRGKRZSA-N 472.999 6.214 50 10 JKGE CC1(C)CCC[C@](CBr)(Cc2ccc(I)c(Cl)c2)O1 2226861688 AYZHXGBCWDZSDZ-OAHLLOKOSA-N 457.577 5.600 50 10 JKGE Cc1cc([C@@H](Cl)c2c(Cl)sc(Br)c2Cl)cc(C)c1Br 2227421852 PGODEHBEGWZRHL-SNVBAGLBSA-N 463.449 7.525 50 10 JKGE C[C@@H](Cl)c1nc2c(F)cc(Br)cc2n1C1(CCOCc2ccccc2)CC1 2232923059 YRJZEARWFHZPMB-CQSZACIVSA-N 451.767 6.334 50 10 JKGE C[C@@]1([C@@H](Br)c2cc(Br)c(Br)cc2F)CCCC(F)(F)C1 2233976626 PRLVEMRIJQYKEF-QWHCGFSZSA-N 478.972 7.002 50 10 JKGE Fc1cc(F)c([C@H](Cl)c2cc(Br)ccc2Br)c(F)c1Br 2236104115 WXJBMSUNFDZMLN-GFCCVEGCSA-N 493.342 6.720 50 10 JKGE O=[N+]([O-])c1ccc(C[C@@H](Br)c2csc(Br)c2Br)c(F)c1 2237452789 IFMFOWRBEWIFKR-SECBINFHSA-N 487.970 5.999 50 10 JKGE COc1c([C@H](Br)c2cc(Br)c(Br)s2)csc1Cl 2248563391 XVFXEMPGOCQKJB-ZETCQYMHSA-N 481.456 6.481 50 10 JKGE CC(C)([C@@H](Br)Cc1cc(Br)cc(Br)c1)C(F)(F)F 2263519228 OWFKECIKYXPODR-JTQLQIEISA-N 452.934 6.106 50 10 JKGE Fc1cccc(I)c1[C@H](Br)Cc1ccc(Cl)c(Cl)c1 2267653714 WAYUOEKGMJLXNN-SECBINFHSA-N 473.938 6.416 50 10 JKGE COc1ccc([C@H](Cl)c2cc(F)cc(Br)c2)cc1I 2269539974 FWYBADZILDVHAX-AWEZNQCLSA-N 455.492 5.530 50 10 JKGE COc1ccc([C@@H](Cl)c2cc(Br)ccc2Cl)cc1I 2269542885 LQBCSUDOVIESEK-CQSZACIVSA-N 471.947 6.044 50 10 JKGE CC(F)(F)C1([C@H](Br)Cc2cc(Br)cc(Br)c2)CCC1 2277954761 YTYGJHWFRCVZTA-GFCCVEGCSA-N 460.982 6.343 50 10 JKGE CN(Cc1cccc(I)c1)c1c(F)cc(CBr)cc1F 2280256329 CPELLYVETAMMQU-UHFFFAOYSA-N 452.080 5.101 50 10 JKGE COc1cc(C=CC(=O)Oc2ccc([N+](=O)[O-])cc2)cc(Br)c1OCc1cccc(C)c1 2294609970 ONYLQSRBCMDOEG-UHFFFAOYSA-N 498.329 5.872 50 10 JKGE Cc1cc(C)c([C@H](Br)Cc2cc(Br)cc(Br)c2)c(C)c1 2295265643 TXHCDGCVZIVALK-MRXNPFEDSA-N 461.035 6.816 50 10 JKGE CCCCOC(=O)c1ccc(NC(=O)C(C#N)=Cc2ccc(-c3cccc([N+](=O)[O-])c3)o2)cc1 2296818116 LVKHJQGNSSXFSU-UHFFFAOYSA-N 459.458 5.357 50 10 JKGE COc1cc(C=C(C#N)c2cccc(C#N)c2)cc(Br)c1OCc1ccc([N+](=O)[O-])cc1 2297380673 OQQJPVGSMHPCMD-UHFFFAOYSA-N 490.313 5.881 50 10 JKGE CCCCCCCCC=CCCCCCCCC(=O)O[C@@H](COC(C)C)CO[P@@](C)(=O)F 2297719599 ZLEFMXNNQCABDB-NRUKRWIHSA-N 478.626 8.170 50 10 JKGE CC(C)(C[C@H](Br)c1cc(Br)ccc1OCc1ccccc1)C1CC1 2299501347 NLVBFJFFTGSCOP-IBGZPJMESA-N 452.230 7.290 50 10 JKGE Cc1cc(Cl)cc([C@@H](Br)c2sc(Cl)cc2I)c1 2300954567 ZPPJLXVPBNWQFC-LLVKDONJSA-N 461.977 6.452 50 10 JKGE Cn1nc(Br)c(Br)c1[C@H](Br)c1ccc(Br)cc1 2301119905 ZFFZSEOOJTTXHV-MRVPVSSYSA-N 487.815 5.192 50 10 JKGE COc1cccc(NC(=O)C(C#N)=Cc2ccc(OC(=O)c3ccc(Cl)cc3Cl)cc2)c1 2313675751 OAXWPZLXHUUBOB-UHFFFAOYSA-N 467.308 5.767 50 10 JKGE Cc1ccc(C(=O)Oc2cccc(C=C(C#N)C(=O)Nc3cc([N+](=O)[O-])ccc3Cl)c2)cc1 2313724471 AMIMIRKGVWOSLA-UHFFFAOYSA-N 461.861 5.322 50 10 JKGE Cc1ccc(-c2nc(C(C#N)=CC3=Cc4ccccc4O[C@@H]3C)sc2NC(=O)c2cccs2)cc1 2314433408 MZEKOTZECYVQKS-GOSISDBHSA-N 495.629 7.204 50 10 JKGE COc1ccc(-c2nn(-c3ccccc3)cc2C=C(C#N)C(=O)Nc2cccc([N+](=O)[O-])c2)cc1 2314489786 VPLBOTVPRMMZAM-UHFFFAOYSA-N 465.469 5.002 50 10 JKGE Clc1cccc([C@@H](Cl)c2ccc(OCc3ccccc3)cc2Br)c1Cl 2314496104 YAQBQVFCOKOULZ-IBGZPJMESA-N 456.594 7.663 50 10 JKGE CCOC(=O)c1c(NC(=O)C(C#N)=Cc2ccc(OCC)c(OC)c2)sc2c1[C@H](C)CCC2 2314754011 IMEDMCCTDGACAC-OAHLLOKOSA-N 468.575 5.318 50 10 JKGE CCOCc1cc(Br)c([C@@H](Br)c2cnsc2Br)s1 2315619299 GRQLHFIARVUDPP-VIFPVBQESA-N 476.053 5.750 50 10 JKGE Fc1cccc(Oc2cc(Br)cc(I)c2)c1CBr 2316759379 LVHWWSRFXQXRED-UHFFFAOYSA-N 485.916 5.880 50 10 JKGE O=C(NN=Cc1ccc(OCCCc2ccccc2)cc1)c1ccc2[nH]c3c(c2c1)CCCC3 2323149698 HDDLWYHMURZCAN-UHFFFAOYSA-N 451.570 5.822 50 10 JKGE COc1ccc(Cl)cc1N1C[C@@H](C(O)=C(C#N)c2nc(-c3ccc(F)cc3F)cs2)CC1=O 2331286574 LVXQLLSCIPISCR-LBPRGKRZSA-N 487.915 5.596 50 10 JKGE CCCOc1ccc(-c2csc(C(C#N)=C(O)c3ccc(-n4cccc4)cc3)n2)cc1OCCC 2331293484 QIRNXKVWXALYKH-UHFFFAOYSA-N 485.609 7.128 50 10 JKGE C[C@H](Oc1ccc(Cl)cc1Br)C(O)=C(C#N)c1nc(-c2ccc(Cl)cc2)cs1 2331299351 XKWRHZSHKNPUCB-NSHDSACASA-N 496.213 7.140 50 10 JKGE Cc1ccc(C(C)(C)C)cc1-c1csc(C(C#N)=C(O)c2cccc(Oc3ccccc3)c2)n1 2331397220 WXLXMLKTIGWSHN-UHFFFAOYSA-N 466.606 8.158 50 10 JKGE CCOc1ccc(C=C(C#N)c2nc(-c3cc(Cl)c(OC)c(Cl)c3)cs2)cc1OC 2331480405 OHAZNVYMZPZUSK-UHFFFAOYSA-N 461.370 6.597 50 10 JKGE Cc1c(Br)ccc([C@@H](Br)[C@H]2C[C@@H]3O[C@H]2[C@H]2C[C@@H]32)c1Br 2333147537 YQQDJHCRMNHKPQ-QRWSFDSPSA-N 450.996 5.379 50 10 JKGE Cc1cc(Br)c(F)c(Br)c1[C@H](Br)[C@@H]1CC[C@@H]2C[C@H]2C1 2339650777 JDELXUATKDSLHR-ORXSELOVSA-N 455.003 6.531 50 10 JKGE Cc1cc(Br)c(F)c(Br)c1[C@@H](Br)[C@H]1CC(C)(C)CO1 2339652757 CATBHEIQOGTEDZ-KOLCDFICSA-N 458.991 5.910 50 10 JKGE COc1c(Br)cc(C)c([C@H](Br)c2cc(C)co2)c1Br 2339656330 MVBISCKFGOODIW-GFCCVEGCSA-N 452.968 5.914 50 10 JKGE COC[C@]1(C)C[C@H]1[C@@H](Br)c1c(C)cc(Br)c(F)c1Br 2339689311 NOJRGWUYVJQGJZ-UPLXVJCVSA-N 458.991 5.768 50 10 JKGE Clc1ccc(I)cc1CN1CC2(CCC2)C[C@H]1CBr 2352411794 WYDYOURCVHNLRQ-ZDUSSCGKSA-N 454.577 5.084 50 10 JKGE CCOCc1cc(Br)c([C@H](Br)c2c(Br)nc(C)n2C)s1 2362487637 PGTNFJFXZVWWKE-SNVBAGLBSA-N 487.055 5.336 50 10 JKGE FC1(F)CC[C@]2(C1)[C@@H](Cl)C[C@H]2Oc1cc(Br)cc(I)c1 2364267681 MQLVOPOFFQHVCL-XQQFMLRXSA-N 477.514 5.618 50 10 JKGE Cc1cc([C@@H]2C(C#N)=C(N)N(c3cc([N+](=O)[O-])ccc3Cl)C3=C2C(=O)CCC3)c(C)s1 2501741 KWXRAACBLXWLQI-HXUWFJFHSA-N 454.939 5.231 50 10 JKGE Cc1cc(C)c(OCC(=O)N/N=C/c2ccc(-c3ccccc3Cl)o2)c(Br)c1 8445676 YMDMTWABINSMSY-BHGWPJFGSA-N 461.743 5.508 50 10 JKGE N#C/C(=C/c1ccc(OCc2ccc3ccccc3c2)cc1)C(=O)Nc1nnc(C(F)(F)F)s1 33490407 MNTCFFWUUUFHLA-ODLFYWEKSA-N 480.471 5.835 50 10 JKGE Cc1cccc(Oc2nc3c(C)cccn3c(=O)c2/C=C(/C#N)c2nc3ccccc3s2)c1 34697340 VFSVKVQMZDJFQX-JXAWBTAJSA-N 450.523 5.778 50 10 JKGE CCCCC/C(=N/NC(=O)COc1ccc(Br)cc1Br)c1ccccc1 34953981 JTXPPBCRLUFBDY-NKFKGCMQSA-N 482.216 5.691 50 10 JKGE CCOc1ccc(OCc2ccc(C(=O)N/N=C(/C)c3cccc(C(F)(F)F)c3)cc2)cc1 35214687 GNEDGUFOIHISGD-RHANQZHGSA-N 456.464 5.837 50 10 JKGE CCOc1cc(/C=C2/C(=O)N(CC(C)C)C(=O)C(C#N)=C2C)ccc1OCc1ccc(C)cc1 38605768 JKIIUXFUOGWRRQ-YDZHTSKRSA-N 458.558 5.221 50 10 JKGE CCCOc1ccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)[C@@H](C)Oc4ccccc4F)ccc32)cc1 38650671 OOSOXAPYESZISB-WGDIFIGCSA-N 488.515 5.206 50 10 JKGE Cc1ccc(C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@H]3c2cccc(Oc3ccccc3)c2)cc1 38660743 OXOHMQVKYSBGHS-NDEPHWFRSA-N 474.516 6.225 50 10 JKGE N#CC1=C(N)Oc2cc(OC(=O)c3cccc4ccccc34)ccc2[C@H]1c1ccccc1Br 38678796 RGZHOMKJTPBGKU-RUZDIDTESA-N 497.348 6.040 50 10 JKGE Cc1c(C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@@H]3c2ccc(F)cc2)oc2ccc(Cl)cc12 38688069 BCNFGIXAOMRXFQ-HSZRJFAPSA-N 474.875 5.971 50 10 JKGE CCCCCCCCCCCCCCCCCCNC(=O)N[C@@H]1CS(=O)(=O)C[C@@H]1Cl 59568207 ZPUGZYLCTRFYAS-FCHUYYIVSA-N 465.144 5.952 50 10 JKGE CSc1ccccc1[C@@H](Br)c1cc(Br)ccc1Br 98021650 HHXDJGBPMDNIEJ-CQSZACIVSA-N 451.021 6.418 50 10 JKGE N#C/C(=C(/O)c1ccc(-c2cccc([N+](=O)[O-])c2)o1)c1nc(-c2ccc(Br)cc2)cs1 100989683 FBACMVOUPPQQGH-FXBPSFAMSA-N 494.326 6.691 50 10 JKGE CCOc1ccc(N2C(=O)[C@@H](Cc3cccc(C)c3)S/C2=C(/C#N)C(=O)Nc2cccc(C)c2)cc1 101245680 MPXMISDJQAJFNW-SJCFVWOQSA-N 497.620 5.767 50 10 JKGE CCCCCCOC(=O)c1ccccc1N/C=C(/C#N)c1nc(-c2cccc(OC)c2)cs1 102420466 XLEDRKQAUPFEGZ-JZJYNLBNSA-N 461.587 6.532 50 10 JKGE CCCCCCCCOc1ccc(/C=C(/C#N)C(=O)Nc2ncc(Cc3ccc(F)cc3)s2)cc1 102957485 PKCXPMYVPDMFLU-QJOMJCCJSA-N 491.632 7.158 50 10 JKGE COc1cc(Br)c([C@@H](Cl)c2ccc(I)cc2)cc1OC 109817091 IRWRQDVDBDWXAY-HNNXBMFYSA-N 467.528 5.399 50 10 JKGE Clc1cccc(C(CBr)(CBr)Cc2sccc2Br)c1 118671524 HZWXOCDOCHNWOJ-UHFFFAOYSA-N 487.482 6.434 50 10 JKGE CCOc1ccc([C@@H](Br)c2c(F)cc(Br)cc2F)c(Br)c1 123756472 OPSCYUPNHMTWHN-OAHLLOKOSA-N 484.960 6.373 50 10 JKGE O=C(NC[C@@H]1CCCC[C@H]1CBr)c1cc(Br)c(Br)s1 126779129 FVFLCYXDTMCKCX-IUCAKERBSA-N 474.056 5.204 50 10 JKGE CN(C(=O)c1cc(Br)c(Br)s1)[C@H]1CCCC[C@@H]1Br 158102696 ZAPUGYQITYTCPF-CBAPKCEASA-N 460.029 5.051 50 10 JKGE CCOc1cc(/C=C(/C#N)C(=O)NCc2ccco2)ccc1OC(=O)c1c(C)cc(C)cc1C 206674247 NEJCCRRQZQHIOT-BKUYFWCQSA-N 458.514 5.046 50 10 JKGE CCCOc1ccc([C@H](Br)c2csc(Br)c2)cc1Br 233251174 RMPIZSKDZYUNSN-AWEZNQCLSA-N 469.036 6.546 50 10 JKGE COc1cc(C)c(Br)cc1[C@@H](Br)c1csc(Br)c1 234797050 WQTAUBZEZNYABB-ZDUSSCGKSA-N 455.009 6.074 50 10 JKGE Cc1sc(Br)cc1[C@H](Cl)c1cc(Cl)ccc1I 235823959 IRYLZWHGMADJAV-LBPRGKRZSA-N 461.977 6.405 50 10 JKGE C/C(C=NNC(=O)c1cc(-c2cccnc2)nc2c1c(C)nn2-c1ccccc1)=C/c1ccccc1 252511787 KMFWGHZDMJGOEA-ZMTXXDRJSA-N 472.552 5.610 50 10 JKGE CC(=NNC(=O)c1cc(-c2ccc(C)c(C)c2)nc2ccccc12)C12CC3CC(CC(C3)C1)C2 252619604 LQVIOXSPNWLGIW-UHFFFAOYSA-N 451.614 6.841 50 10 JKGE CC(=NNC(=O)c1sc2ccccc2c1Cl)c1cccc(NC(=O)c2ccc3c(c2)OCO3)c1 252626095 QWBAVFPIRYOKIV-UHFFFAOYSA-N 491.956 5.690 50 10 JKGE C=CCn1c(CNc2ccc(Cl)cc2)nnc1S[C@H](C)C(=O)NN=Cc1ccccc1Cl 252630474 VAJOIOQCNJKAIG-OAHLLOKOSA-N 489.432 5.014 50 10 JKGE CCCCOc1ccc(C=NNC(=O)CCCCC(=O)NN=Cc2ccc(OCCCC)cc2)cc1 254340141 GSVKRPDNJFMISN-UHFFFAOYSA-N 494.636 5.205 50 10 JKGE CC(=NNC(=O)COc1ccc(Cl)cc1Cl)c1cccc(NC(=O)c2ccccc2F)c1 254489235 CSAPCWKUVKMSQZ-UHFFFAOYSA-N 474.319 5.304 50 10 JKGE Cc1ccccc1-n1c(SCC(=O)NN=C/C(Cl)=C/c2ccccc2)nc2ccccc2c1=O 254617599 PHVGHJKAWDSJGN-JYDMSXFQSA-N 489.000 5.168 50 10 JKGE CCOc1ccc(C(=O)Oc2ccc3ccccc3c2C=NNC(=O)c2ccccc2OCC)cc1 254704495 ASYJRLWIXRNFML-UHFFFAOYSA-N 482.536 5.620 50 10 JKGE Cl[C@H](c1cc2c(cc1Br)OCCO2)c1sccc1I 311451872 SLQUVYHHAJOZQT-GFCCVEGCSA-N 471.541 5.215 50 10 JKGE Fc1ccc(COc2c(Br)cc(Br)cc2CCl)c(Br)c1 380215712 INUYWTZCRZJKGJ-UHFFFAOYSA-N 487.388 6.431 50 10 JKGE CC(C)(C)OC(=O)N1C[C@H](CI)[C@H](c2cccc(Cl)c2Cl)C1 394758024 SPQSUJHORVHTEX-CMPLNLGQSA-N 456.151 5.379 50 10 JKGE Cc1cc(F)c([C@H](Br)c2cc(Br)cc(Br)c2)cc1Cl 395571652 NJUKILKFUVFZDZ-CQSZACIVSA-N 471.389 6.797 50 10 JKGE COCc1cc(Br)c([C@H](Br)c2ccc(Br)cc2Cl)s1 688147748 SIPWSBUFJYQIQQ-GFCCVEGCSA-N 489.454 6.557 50 10 JKGE Brc1cc2c(c([C@H](Br)c3cccc(OCc4ccccc4)c3)c1)OCCC2 688364850 OEDSRMMXPVNASA-JOCHJYFZSA-N 488.219 6.837 50 10 JKGE Fc1ccc2nc(CCCl)n([C@H]3CCCN(Cc4ccccc4)C3)c2c1Br 689728739 BPMSJDQVBDEJQL-INIZCTEOSA-N 450.783 5.556 50 10 JKGE C[C@H]1C[C@H](n2c(CCl)nc3ccc(F)c(Br)c32)CCN1Cc1ccccc1 701654632 ZFKOHTNFACAPAA-GOEBONIOSA-N 450.783 5.902 50 10 JKGE N#Cc1ccc2nc(CCl)n(CC3(N(Cc4ccccc4)Cc4ccccc4)COC3)c2c1 705869881 RPYAQVSZNBNBSQ-UHFFFAOYSA-N 456.977 5.118 50 10 JKGE Fc1ccc(N2CC[C@H]3[C@@H](CCCN3Cc3ccccc3)C2)c(CBr)c1Cl 715015069 OQVWUBYIFGJDRQ-PXNSSMCTSA-N 451.811 5.865 50 10 JKGE Fc1ccc(F)c([C@H](Br)c2cc(Br)sc2Br)c1F 716405694 IZXMYIFHYUPDFH-SECBINFHSA-N 464.926 6.175 50 10 JKGE Fc1ccccc1C[C@@H](Br)c1ccc(I)c(Br)c1 721571723 IKKGNPGOFZNYBD-LLVKDONJSA-N 483.944 5.872 50 10 JKGE CCOc1ccc([C@@H](O)CCC(=O)NN=Cc2cc(Cl)c(OCc3ccccc3)c(OC)c2)cc1 1083977229 BJCCMJVFPAAIFZ-DEOSSOPVSA-N 496.991 5.290 50 10 JKGE CCCCCCCCCCOc1ccc(C(=O)NN=Cc2c(C)nn(-c3ccccc3)c2C)cc1 1084116096 RYZOMRZZESPLLK-UHFFFAOYSA-N 474.649 6.773 50 10 JKGE CC(=NNC(=O)CN(c1ccc(C)c(C)c1)S(=O)(=O)c1ccccc1)c1ccc(C(C)(C)C)cc1 1084241091 JKUXVUUNVHBYLE-UHFFFAOYSA-N 491.657 5.337 50 10 JKGE O=C(NN=Cc1ccc2ccc3cccc4ccc1c2c34)c1cccc(NC(=O)c2ccc(F)cc2)c1 1084371195 SONFSRXBFQLJBC-UHFFFAOYSA-N 485.518 6.739 50 10 JKGE COc1cc(/C=C(/C#N)C(=O)Nc2cc([N+](=O)[O-])ccc2Cl)ccc1OCc1ccc(F)cc1 1084407558 QNIDLZZDSNZQMY-YVLHZVERSA-N 481.867 5.521 50 10 JKGE Cc1c(C=NNC(=O)CSc2cccc3ccccc23)c2ccccc2n1Cc1ccccc1Cl 1565518917 QASWQIHUBQUXHD-UHFFFAOYSA-N 498.051 7.047 50 10 JKGE COc1ccc(C=NNC(=O)[C@H](C)Oc2ccc(-c3ccccc3)cc2)cc1Br 1772755492 JKEQBVCBIQDIGZ-INIZCTEOSA-N 453.336 5.042 50 10 JKGE CC(=O)O[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)C1=O 1857787887 RCRNHNQUADUPMA-SHXOQXCHSA-N 460.731 6.450 50 10 JKGE N#CSc1ccc(NC(=O)Nc2ncccc2OCC(=O)Nc2ccccc2Br)cc1 1858835821 QGMSMXRNCFZFER-UHFFFAOYSA-N 498.362 5.079 50 10 JKGE N#CC1=C(N)Oc2c(c(C(F)(F)F)nn2-c2ccccc2Cl)[C@H]1c1cc(Cl)ccc1O 1865689152 LGZLPPOOMGTFSE-HNNXBMFYSA-N 467.234 5.122 50 10 JKGE CCOc1cccc([C@H]2C(C#N)=C(N)Oc3c2c(-c2ccc(OC)cc2)nn3-c2ccc(Cl)cc2)c1 1865690560 UZUVPAYVOACNKY-DEOSSOPVSA-N 498.970 5.818 50 10 JKGE CCCOc1ccc([C@H]2C(C#N)=C(N)Oc3c2c(CC)nn3Cc2ccccc2Cl)cc1OCC 1865691238 NNYRIBSSIBNZPF-DEOSSOPVSA-N 493.007 5.553 50 10 JKGE CCCOc1ccc([C@H]2C(C#N)=C(N)Oc3c2c(-c2ccccc2)nn3Cc2cc(C)ccc2C)cc1 1865694669 YXFQNGMVKGDQCX-MHZLTWQESA-N 490.607 6.222 50 10 JKGE Cn1cccc1[C@H]1C(C#N)=C(N)Oc2c1c(-c1ccccc1)nn2-c1ccc(Cl)c(Cl)c1 1865698689 AKLBZGZOXPMCOJ-HXUWFJFHSA-N 462.340 5.403 50 10 JKGE CCCc1nn(-c2ccccc2Cl)c2c1[C@@H](c1cc(Br)ccc1F)C(C#N)=C(N)O2 1865701912 HZMQUBLKAKYFBO-IBGZPJMESA-N 487.760 5.598 50 10 JKGE N#CC1=C(N)Oc2c(c(C(F)(F)F)nn2Cc2ccccc2)[C@H]1c1cc(Br)ccc1F 1865702344 TWSPTCLUSRWBDO-INIZCTEOSA-N 493.258 5.070 50 10 JKGE CCc1nn(Cc2cccc(F)c2)c2c1[C@H](c1cccc(OCc3ccccc3)c1)C(C#N)=C(N)O2 1865711738 HDMMLTCZEQNAAA-AREMUKBSSA-N 480.543 5.430 50 10 JKGE COc1ccc(-c2nn(Cc3ccc(C)cc3)c3c2[C@@H](c2ccccc2C)C(C#N)=C(N)O3)cc1 1865712567 BQPPBHUBMJSCIG-VWLOTQADSA-N 462.553 5.442 50 10 JKGE C[C@@H](CC(=O)N[C@H](Cc1ccccc1)C(=O)Nc1ccc(SC#N)cc1)c1cccc(Cl)c1 1867185306 SZKWMUDPFQUGID-MHECFPHRSA-N 478.017 5.773 50 10 JKGE COc1ccc(-c2csc(-c3cc4ccc(OC(=O)C(Cl)Cl)cc4oc3=O)n2)cc1 1871386212 JRYLVTNPBNAWEK-UHFFFAOYSA-N 462.310 5.301 50 10 JKGE Cc1cc(OC/C(O)=C(\C#N)c2nc(-c3ccc(Br)cc3)cs2)cc(C)c1Cl 1872746487 KDVGNRZRHJRRHE-ZPHPHTNESA-N 475.795 6.715 50 10 JKGE COc1cc(/C=C/C(O)=C(\C#N)c2nc(C(C)(C)C)cs2)ccc1OCc1ccc(Cl)cc1 1872747666 OAUNSGZPBBLBNU-RCFLLKONSA-N 481.017 7.188 50 10 JKGE N#C/C(=C(/O)c1ccccc1I)c1nc(-c2ccc3c(c2)OCO3)cs1 1872752543 INIHELXTDKFHRC-AQTBWJFISA-N 474.279 5.093 50 10 JKGE C[C@@H](Oc1ccc(Cl)cc1Br)/C(O)=C(\C#N)c1nc(-c2ccc(F)cc2)cs1 1872753392 UZKUQVFKQRJWJP-QNPMFDGYSA-N 479.758 6.625 50 10 JKGE COc1c(C)cc(Cl)cc1-c1csc(/C(C#N)=C(O)/C=C/c2ccc(Cl)c(Cl)c2)n1 1872757215 VDXGPJUTTXCJBR-IQHVPDIVSA-N 477.800 7.593 50 10 JKGE N#C/C(=C(/O)Cc1ccc(Cl)c(Cl)c1)c1nc(-c2cc(Cl)ccc2Cl)cs1 1872758405 YRNLNUPNAZRSDY-AQTBWJFISA-N 456.181 7.459 50 10 JKGE CCOc1c(/C=C(\C#N)c2nc(-c3cc(OC)c(Cl)cc3OC)cs2)cccc1OC 1872793791 SUGXKXHCMNXUAL-OQLLNIDSSA-N 456.951 5.952 50 10 JKGE Cc1sc(Br)cc1[C@H](Cl)c1sc(Cl)cc1I 1900919719 QLVGWCAOTAQMHY-VIFPVBQESA-N 468.006 6.467 50 10 JKGE Brc1cc(CCC[C@H](Br)C2CC2)ccc1I 1904322242 OUZJMCCGMCHZHY-NSHDSACASA-N 457.975 5.550 50 10 JKGE O=C(c1cccc(F)c1Br)N(Cc1ccccc1)[C@@H](CBr)C1CC1 1915315624 XOOVGFHSGZAELK-KRWDZBQOSA-N 455.165 5.404 50 10 JKGE CCn1cc([C@H](Cl)c2sc(Br)c(C)c2Br)nc1Br 1922887368 VJGUSPYSVYMQPG-QMMMGPOBSA-N 477.447 5.889 50 10 JKGE CC(C)C1CC([C@@H](Br)c2c(Br)sc(Br)c2Cl)C1 1923074018 FQRFNAGSUGJGDJ-QXUHLLMWSA-N 465.476 7.045 50 10 JKGE COc1cccc(Br)c1[C@@H](Br)[C@@H](C)c1ccncc1Br 1924064160 AHTOBINYIYIMFN-VFZGTOFNSA-N 463.995 5.855 50 10 JKGE C[C@@]1([C@H](Cl)c2c(Br)sc(Br)c2Br)CCCO1 1924579329 DBBWSMBBSZQLTP-XCBNKYQSSA-N 453.421 5.885 50 10 JKGE Cl[C@H](c1c(Br)sc(Br)c1Br)[C@@H]1CCCC12CC2 1924614136 WQYVFUUFPWYARM-RCOVLWMOSA-N 463.460 6.896 50 10 JKGE C[C@H]1COc2ccc([C@@H](Br)c3cc(Br)sc3Br)cc21 1925723400 XEWCJNDSNUNQDN-WPPNPWJKSA-N 467.020 6.253 50 10 JKGE Cc1cc(Br)sc1[C@@H](Br)c1ccc(OCc2ccccc2)cc1 1939449085 CCLZWDWWWOLKSY-SFHVURJKSA-N 452.211 6.882 50 10 JKGE CC(C)(C)OC(=O)N1CC(N(CCCCCCCCCBr)Cc2ccccc2)C1 1959576473 UURIBMGRDDMJDU-UHFFFAOYSA-N 467.492 6.234 50 10 JKGE Clc1c(Br)sc(Br)c1[C@@H](Cl)c1cc(Br)cs1 1981402518 XOBYUXJXGHRZRT-LURJTMIESA-N 485.875 7.079 50 10 JKGE C[C@@H](CBr)CN(CCCNC(=O)OC(C)(C)C)c1cccc(Br)c1 1999510486 VWLFZCBXAHJXTL-AWEZNQCLSA-N 464.242 5.201 50 10 JKGE O=C(Cl)c1ccc2oc(-c3cc(Cl)c(Cl)c(I)c3)nc2c1 2060393535 HWWYCYZQPYIHKB-UHFFFAOYSA-N 452.462 5.785 50 10 JKGE CCc1nn(C)c([C@H](Br)c2sc(Br)cc2C)c1Br 2072304658 NKJUSSPJTLWLSV-JTQLQIEISA-N 457.029 5.362 50 10 JKGE COCc1csc([C@@H](Br)c2ccc(Br)cc2Br)c1 2083311982 OBANAXOAUULCRD-ZDUSSCGKSA-N 455.009 5.904 50 10 JKGE BrCc1ccc(Br)cc1N1CCC[C@H]1[C@H]1CCN(Cc2ccccc2)C1 2089001447 VODHIFIIAALJRE-FPOVZHCZSA-N 478.272 5.835 50 10 JKGE Cc1cc([C@H](Br)c2c(Br)cccc2Br)c(C)cc1F 2094094279 AAUWMUSIUKYCFA-HNNXBMFYSA-N 450.971 6.452 50 10 JKGE COc1cc(Br)c([C@H](Cl)c2cscc2OCc2ccccc2)cc1OC 2100093523 SMSLOFDCCYIJOJ-FQEVSTJZSA-N 453.785 6.435 50 10 JKGE CC(C)(C)OC(=O)N1CC(C[S@@](C)(=O)=NCCCCCCCCCBr)C1 2109490865 KCTAMKOORFMBOE-AREMUKBSSA-N 453.487 5.077 50 10 JKGE CCc1nc([C@@H](Br)c2cc(Br)c(Cl)cc2F)c(Br)s1 2113185953 WGKOQDRRSFPFIM-JTQLQIEISA-N 492.433 6.507 50 10 JKGE BrC[C@@]1(Cc2cc(Br)ccc2Br)CCCCC12CC2 2118530139 WYTDQJDXWKMRAS-INIZCTEOSA-N 451.040 6.490 50 10 JKGE CO[C@@H]1CCC[C@@H]([C@H](Br)c2cc(Br)c(C)cc2Br)C1 2126395171 OZYNGRCXLDWIFN-HFAKWTLXSA-N 455.028 6.161 50 10 JKGE C[C@H](Cl)c1nc2cc(I)c(F)cc2n1[C@H]1C[C@@H](Br)C1 2126740996 OZNUAZFVKHREGL-BIIVOSGPSA-N 457.512 5.178 50 10 JKGE Cc1c(Br)ccc([C@@H](Br)c2ccc(F)cc2F)c1Br 2138848646 BKIISUCCVPSDRY-AWEZNQCLSA-N 454.934 6.283 50 10 JKGE COC1CC(CC[C@@H](Br)c2ccc(Br)c(C)c2Br)C1 2138871909 PVASKSRRVHRWEP-QIMFLAQGSA-N 455.028 6.161 50 10 JKGE Clc1ccc([C@H](Br)CCc2ccc(I)c(Cl)c2)cc1 2142938666 ANTIGDHJEWXCKP-CYBMUJFWSA-N 469.975 6.667 50 10 JKGE CCc1ccccc1COc1c(Br)cc(CBr)cc1Br 2144003171 CEAWKDXXJGRYTB-UHFFFAOYSA-N 463.007 6.248 50 10 JKGE Cc1cccc(C[C@@H](CBr)Cc2ccccc2Br)c1Br 2144189396 DUZWETADJHBHIE-ZDUSSCGKSA-N 461.035 6.316 50 10 JKGE ClCc1ccc(Br)c(Cl)c1N1CCO[C@@H]2CCN(Cc3ccccc3)C[C@@H]21 2154376728 XZMAPBJZGANCDC-RBUKOAKNSA-N 470.238 5.321 50 10 JKGE C[C@@]1(n2c(CCCl)nc3cc(Cl)c(Br)cc32)CCN(Cc2ccccc2)C1 2168999187 PFTPDLGMPJEPGK-OAQYLSRUSA-N 467.238 5.855 50 10 JKGE COc1c(CBr)cc(Cl)cc1S(=O)(=O)N(Cc1ccccc1)CC(C)(C)C 2179825188 DSZATLCQPRNGEG-UHFFFAOYSA-N 474.848 5.481 50 10 JKGE Cc1cc([C@H](Br)c2c(C)c(Br)cc(C)c2Br)ccc1F 2201076263 XPRKXUJGWJMJGG-INIZCTEOSA-N 464.998 6.760 50 10 JKGE COc1cc(Cl)c([C@@H](Cl)c2ccc(Cl)cc2Br)cc1Br 2202347854 WXZNRBZCKYLKHH-AWEZNQCLSA-N 459.392 6.855 50 10 JKGE CCC(CC)([C@@H](Br)c1ccc(Br)c(C)c1Br)C(F)(F)F 2203684790 KQUUNYPBXFNOGQ-LBPRGKRZSA-N 480.988 7.325 50 10 JKGE Cc1cc([C@H](Br)c2c(F)c(F)cc(F)c2F)ccc1I 2207106600 XYHHHUCEGGLMIR-LBPRGKRZSA-N 459.018 5.640 50 10 JKGE C[C@@H]1C[C@H](C[C@H](Br)c2c(Br)cc(Cl)c(Cl)c2Cl)CO1 2224301606 BYKWVNZUYHBGQB-PRJMDXOYSA-N 451.413 6.660 50 10 JKGE Cc1csc([C@H](Br)c2c(Br)cc(Cl)c(Cl)c2Cl)c1Cl 2224302499 MHQTZPUWDRNNHY-MRVPVSSYSA-N 483.867 7.917 50 10 JKGE COc1cc(F)ccc1[C@H](Br)c1ccc(Br)cc1Br 2225607632 CLHHDEDTMDRLGS-CQSZACIVSA-N 452.943 5.844 50 10 JKGE COCc1csc([C@@H](Br)c2cc(Br)c(Br)cc2F)c1 2225615258 FJITZCHBFPIXHA-ZDUSSCGKSA-N 472.999 6.043 50 10 JKGE Cc1c(Br)sc([C@@H](Br)Cc2ccc(Br)cc2F)c1C 2225849422 UPGQHOQUWDHFJY-NSHDSACASA-N 471.027 6.708 50 10 JKGE Cc1cc(Br)c([C@@H](Br)C23CCC(CC2)O3)c(C)c1Br 2227356641 SBZUDVWPQHCBHP-CIQACWJJSA-N 453.012 5.976 50 10 JKGE Cc1c(F)ccc([C@H](Br)c2c(Br)cccc2Br)c1F 2231075798 GWILVJWHLDCRBF-ZDUSSCGKSA-N 454.934 6.283 50 10 JKGE Cc1cccc(Br)c1[C@@H](Cl)c1c(Br)cc(Cl)c(Cl)c1Cl 2232513228 QBEOVQXFAGRINM-CYBMUJFWSA-N 477.838 7.808 50 10 JKGE Fc1cc(Cl)c([C@@H](Br)c2cc(Br)c(Br)cc2F)cc1F 2233974096 CXFYDVSBWZNVFQ-CYBMUJFWSA-N 493.342 6.767 50 10 JKGE Cc1cc(Br)c([C@@H](Cl)c2cc(Cl)ccc2Cl)c(C)c1Br 2235606881 XOQKXJYZMYQCRJ-HNNXBMFYSA-N 457.420 7.463 50 10 JKGE Cc1cc(Br)c([C@H](Br)[C@]23CCC[C@@H]2OCC3)c(C)c1Br 2235612017 MNDWAAWTYREYOP-RCBQFDQVSA-N 467.039 6.224 50 10 JKGE Brc1cccc(Br)c1[C@@H](Br)c1ccc([C@@H]2CCOC2)s1 2240431689 LJPSMFQZNXUSEL-PSLIRLAXSA-N 481.047 6.261 50 10 JKGE Cc1ccc(I)c([C@H](Br)c2c(F)c(F)cc(F)c2F)c1 2241001955 RXADZJXTCBEXLB-LBPRGKRZSA-N 459.018 5.640 50 10 JKGE Brc1ccc(CN2C[C@@H](Br)CC23CCCCC3)c(Br)c1 2241053843 GIRKGNSGADPHAN-AWEZNQCLSA-N 466.055 5.884 50 10 JKGE Clc1c(Br)csc1[C@H](Cl)c1cc(Br)sc1Br 2242671017 NEZOLMOAQOZRLQ-ZCFIWIBFSA-N 485.875 7.079 50 10 JKGE COc1ccc([C@@H](Br)c2ccc(Br)o2)cc1I 2248890515 WUNWMKNQBXFLNX-GFCCVEGCSA-N 471.914 5.140 50 10 JKGE CCc1cc([C@@H](Br)c2c(C)nn(C)c2Br)sc1Br 2255974284 NOGZAXFAYFKOQQ-SNVBAGLBSA-N 457.029 5.362 50 10 JKGE CCc1cc([C@@H](Br)c2sc(C)c(Br)c2C)sc1Br 2256055283 OFYXGNVPBCUBKT-LLVKDONJSA-N 473.093 6.998 50 10 JKGE CCc1sc(Br)cc1[C@H](Br)c1cc(Br)c(F)cc1Cl 2270460850 JLHMKIFQQTUEAN-CYBMUJFWSA-N 491.445 7.112 50 10 JKGE COc1cc(Cl)c(Cl)cc1[C@H](Br)c1cc(Br)ccc1Cl 2279055456 APEWPKHNTRORBH-CQSZACIVSA-N 459.392 6.902 50 10 JKGE CCOc1cc(Br)c(C=C(C#N)C(=O)Nc2cccc(C(F)(F)F)c2)cc1OCC 2295672204 APQVVVSYHTULMM-UHFFFAOYSA-N 483.284 5.811 50 10 JKGE CCCN1CC(=Cc2ccc(SC)cc2)C2=C(C1)[C@H](c1ccc(SC)cc1)C(C#N)=C(N)O2 2296656748 RMDXCEMHNIWKNP-RUZDIDTESA-N 475.683 6.001 50 10 JKGE Brc1cc(OCc2ccccc2)ccc1[C@H](Br)C12CC(CCO1)C2 2299493294 KWWIJXLYXVURLD-YHDJDMAPSA-N 452.186 6.033 50 10 JKGE Brc1cc(OCc2ccccc2)ccc1[C@@H](Br)C(C1CC1)C1CC1 2299496928 PGIPJLHFYFCHKU-OAQYLSRUSA-N 450.214 6.900 50 10 JKGE C[C@H](C[C@H](Br)c1ccc(OCc2ccccc2)cc1Br)C(F)(F)F 2299505191 UQTUDOLZAAUCSQ-WBMJQRKESA-N 466.135 7.053 50 10 JKGE N#CC(=Cc1ccccc1OCc1ccc(Cl)c(Cl)c1)C(=O)Nc1ccc(Cl)c(Cl)c1 2313631071 JWWQDRNKJHIJTM-UHFFFAOYSA-N 492.189 7.425 50 10 JKGE Brc1ccc(OCc2ccccc2)c([C@H](Br)[C@H]2C[C@@H]2C2CCCC2)c1 2314444782 MVSJSHHYKWVZTD-XQBPLPMBSA-N 464.241 7.290 50 10 JKGE N#CC(=Cc1cn(-c2ccccc2)nc1-c1ccc(Cl)cc1)C(=O)Nc1cc(Cl)cc(Cl)c1 2314489297 RWBAICPNTHIELW-UHFFFAOYSA-N 493.781 7.045 50 10 JKGE COc1ccc(-c2nn(-c3ccccc3)cc2C=C(C#N)C(=O)Nc2ccc([N+](=O)[O-])cc2Cl)cc1 2314489961 WLMLUHBKGXWIBO-UHFFFAOYSA-N 499.914 5.655 50 10 JKGE N#CC1=C(N)Oc2cc(OC(=O)C=Cc3ccc(Cl)cc3)ccc2[C@@H]1c1cccc([N+](=O)[O-])c1 2314634083 KQLCFUSVEPJABE-DEOSSOPVSA-N 473.872 5.085 50 10 JKGE CCCOc1ccccc1[C@H]1C(C#N)=C(N)Oc2cc(OC(=O)C=Cc3ccccc3Cl)ccc21 2314634363 IHPMTGUYXGHGAT-HHHXNRCGSA-N 486.955 5.966 50 10 JKGE CCc1sc(Br)cc1[C@H](Br)c1c(Br)nc(C)n1C 2315632140 YGGJLETYDRXAFG-JTQLQIEISA-N 457.029 5.362 50 10 JKGE Brc1cccc(Br)c1CO[C@H]1CCCCC[C@H]1I 2318172588 LGCPPWQZFMJQQI-KGLIPLIRSA-N 488.001 5.865 50 10 JKGE Cc1nc(-c2ccc(Cl)cc2Cl)ccc1C(=O)NN=Cc1cccc(Cl)c1Cl 2321242208 QASOIYGAFIDNBA-UHFFFAOYSA-N 453.156 6.435 50 10 JKGE O=C(NN=Cc1ccc(OCc2ccccc2)c(Cl)c1)c1ccc2[nH]c3c(c2c1)CCCC3 2323150707 JIWRXEBNSJWLEZ-UHFFFAOYSA-N 457.961 6.043 50 10 JKGE CCOC(=O)c1c(-c2ccc(C(C)C)cc2)csc1NC(=O)C(C#N)=Cc1ccc(Cl)cc1 2329654334 PMIXMYMJXRDEJA-UHFFFAOYSA-N 479.001 6.914 50 10 JKGE CCOc1ccc(-c2csc(C(C#N)=C(O)[C@H]3CC(=O)N([C@H](C)c4ccccc4)C3)n2)cc1 2331305602 YGBIIAKTPUARBR-XLIONFOSSA-N 459.571 5.611 50 10 JKGE COc1ccc(-c2csc(C(C#N)=C(O)c3ccc4c(c3)C(=O)N(C(C)C)C4=O)n2)c(C)c1C 2331361308 HCKRBPZTLWWVQZ-UHFFFAOYSA-N 473.554 5.390 50 10 JKGE COc1ccc(-c2csc(C(C#N)=C(O)CCCOc3c(C)cccc3C)n2)c(OC)c1 2331385424 CIHHDVVDLRMYQQ-UHFFFAOYSA-N 450.560 6.096 50 10 JKGE COCC1([C@H](Br)c2ccc(OCc3ccccc3)cc2Br)CC(F)(F)C1 2336047920 PSHIUMJJVASFSY-GOSISDBHSA-N 490.182 6.526 50 10 JKGE Brc1cc(OCc2ccccc2)ccc1[C@H](Br)[C@@]12CCCC[C@@H]1OCC2 2336054455 RXZRSKCNRIHSIX-FDFHNCONSA-N 480.240 6.813 50 10 JKGE Clc1ccc(CN2CC3(CBr)CCC2CC3)cc1I 2337218546 JUASVRQGBZEKOQ-UHFFFAOYSA-N 454.577 5.084 50 10 JKGE C[C@H](Br)C12CCC(CC1)N2Cc1ccc(Cl)c(I)c1 2337224766 DEORUABXPXLBAL-VLRKGOCCSA-N 454.577 5.225 50 10 JKGE COc1c(Br)cc(C)c([C@@H](Br)CCC2CCC2)c1Br 2339657108 UWULTCCWLXLGDT-NSHDSACASA-N 455.028 6.545 50 10 JKGE ClCc1ccc(Cl)c(OCc2ccc(I)c(Br)c2)n1 2350072558 AMZSXRULAOATNX-UHFFFAOYSA-N 472.935 5.420 50 10 JKGE Cc1cc(Br)c(C(C)C)cc1[C@@H](Br)c1coc(Br)c1 2352793166 OCQZCZCLNRTYQM-HNNXBMFYSA-N 450.996 6.721 50 10 JKGE CCc1cc(Br)c(OC)c([C@H](Cl)c2cc(I)sn2)c1 2353039082 BWMZAHFGKHBTPY-LBPRGKRZSA-N 472.573 5.409 50 10 JKGE Brc1ccc([C@@H](Br)[C@@H]2C[C@@H]3CCCCCC[C@@H]32)c(Br)c1 2358114155 FDSLPCXADPGBGB-QDFMMOOJSA-N 465.067 7.254 50 10 JKGE Fc1cc(Cl)c(Br)c(Cl)c1[C@H](Br)c1ccc(Cl)cc1Cl 2360426849 PAAUQXVAAHLJNF-LLVKDONJSA-N 481.801 7.686 50 10 JKGE Fc1cc(Cl)c(Br)c(Cl)c1[C@H](Br)[C@H]1COCCC1(F)F 2360484684 USTABQVMXHNZEV-MLUIRONXSA-N 456.911 6.003 50 10 JKGE O=C(Nc1ccccc1CCBr)c1ccc(Cl)cc1I 2365591225 FRVFWVDHYSTZCE-UHFFFAOYSA-N 464.528 5.134 50 10 JKGE BrC[C@H]1C[C@@H]2C[C@H](C1)CN(Cc1cccc(Br)c1Br)C2 2369244884 SQUKZTNAKZMZLP-CLLJXQQHSA-N 466.055 5.455 50 10 JKGE C[C@@]1(NC(=O)c2cc(Br)c(Br)s2)C[C@H]2CC[C@H]1C[C@H]2Br 2380891364 HUOURQAUKJUYKD-FJBRNLEUSA-N 486.067 5.345 50 10 JKGE O=C(COc1ccc2cc(Br)ccc2c1Br)N/N=C/c1ccc(F)cc1 12491387 YXLIQMNBBIADQM-AUEPDCJTSA-N 480.131 5.033 50 10 JKGE CC(=O)C1=C(C)NC(SCC(=O)c2ccc(Cl)cc2Cl)=C(C#N)[C@H]1c1cccs1 16676347 WZVDLTJRQXYDGS-FQEVSTJZSA-N 463.411 5.956 50 10 JKGE CC1=C(C#N)C(=O)N(Cc2ccc(C)cc2)C(=O)/C1=C/c1ccc(-c2ccc(Cl)c(Cl)c2)o1 38608400 SEBPFNAXOXXRAT-UDWIEESQSA-N 477.347 6.354 50 10 JKGE N#CC1=C(N)Oc2cc(OC(=O)c3cccc4ccccc34)ccc2[C@H]1c1cccc(Cl)c1 38651217 CPASNQZHQHAQKL-RUZDIDTESA-N 452.897 5.931 50 10 JKGE C=CCc1cc(/C=N\NC(=O)CC[C@H](O)c2ccccc2)cc(OCC)c1OCc1cccc(C)c1 58892249 CEXZIHAMMDXWDZ-NMBDKVOKSA-N 486.612 5.665 50 10 JKGE Cc1ccc(COc2ccc(Br)cc2/C=C(/C#N)C(=O)Nc2ccc(Cl)cc2)cc1 59116885 MAJVMIAJSBYWAO-UNOMPAQXSA-N 481.777 6.536 50 10 JKGE Cc1ccc(NC(=O)/C(C#N)=C/c2cccc(OCc3ccc(Cl)cc3Cl)c2)c(C)c1 59201896 WRKZNBVQISENSM-RGVLZGJSSA-N 451.353 6.735 50 10 JKGE C=CCc1cc(/C=N/NC(=O)c2cc3ccccc3o2)cc(OC)c1OCc1ccc([N+](=O)[O-])cc1 59304060 PTMSVCCRIQMTTM-LQKURTRISA-N 485.496 5.421 50 10 JKGE C=CCc1cc(/C=N/NC(=O)c2cc3cc(Br)ccc3o2)cc(Br)c1OC 59680146 WHCWBOBKAIJZAF-FOKLQQMPSA-N 492.167 5.459 50 10 JKGE Fc1cc2c(cc1I)nc(CCl)n2-c1ccc(Br)cc1 97408518 SGLKPKMFCCJCHT-UHFFFAOYSA-N 465.491 5.271 50 10 JKGE C[C@@H]1CCCC[C@@H]1NC(=O)[C@@H](c1ccccc1Cl)N(CCc1ccc(Cl)cc1)C(=O)CCl 97914360 XOERSLACUGJVJE-OUPRXKBMSA-N 495.878 6.040 50 10 JKGE COc1cc(/C=C(/C#N)C(=O)NCc2ccccc2)ccc1OC(=O)CCCOc1cc(C)ccc1C 103762262 YDASCEVCATYEPA-UQQQWYQISA-N 498.579 5.300 50 10 JKGE CCc1cccc(CC)c1N/C(SCc1cccc(Cl)c1)=C(\C#N)S(=O)(=O)c1ccccc1 104689266 DWAQWGVIZBLFJE-LCUIJRPUSA-N 497.085 6.977 50 10 JKGE Brc1ccc([C@@H](Br)c2csc(I)c2)cc1 118884011 WTOSBDCEKPXITK-LLVKDONJSA-N 457.956 5.600 50 10 JKGE CCCCOc1ccc(/C=C(/C#N)C(=O)Nc2nc(-c3ccc4c(c3)CCCC4)cs2)cc1 207208798 FXGFMRXHHIBWGY-HAHDFKILSA-N 457.599 6.413 50 10 JKGE Clc1c(Br)cccc1[C@@H](Cl)c1csc2c(Br)cccc12 228454065 ARPBDMIZOLVTOK-CYBMUJFWSA-N 451.010 7.408 50 10 JKGE CCOc1ccc([C@@H](Br)c2sccc2Br)cc1Br 228997989 PBTQCNMKEMKQDG-GFCCVEGCSA-N 455.009 6.156 50 10 JKGE COCCOc1ccc([C@H](Br)c2cccc(Br)c2)cc1Br 229015480 KNLWCNHMWNTNSI-MRXNPFEDSA-N 479.006 5.721 50 10 JKGE Brc1ccc([C@@H](Br)c2ccc3c(c2)CCCO3)c(Br)c1 232484688 UCCHVCWEPRDJKK-INIZCTEOSA-N 460.991 6.021 50 10 JKGE CN(Cc1csc(Br)c1)c1ccc(CBr)c(Br)c1 234317623 MLZJMMXJGMINJJ-UHFFFAOYSA-N 454.025 5.804 50 10 JKGE COc1cc(F)c(Br)cc1[C@H](Br)c1cccc(C)c1Br 234915672 DULXDAYYOZGGER-OAHLLOKOSA-N 466.970 6.152 50 10 JKGE COc1ccc([C@H](Cl)c2cc(I)ccc2Br)c(C)c1 234994384 CMRXNGJLHGXHSP-HNNXBMFYSA-N 451.529 5.699 50 10 JKGE Cc1cc([C@@H](Br)c2ccc(F)cc2I)c(C)cc1Br 235866197 LNHXUEPKZSNBDP-HNNXBMFYSA-N 497.971 6.294 50 10 JKGE Fc1ccc([C@@H](Br)Cc2nc3ccccc3s2)c(I)c1 236180481 FYTWECNDQSYSOR-NSHDSACASA-N 462.125 5.719 50 10 JKGE COc1ccc(N(C(=O)CCl)[C@H](C(=O)N[C@@H]2CCCC[C@H]2C)c2ccccc2Cl)cc1Cl 252586296 OWNHWCJGZBDBJQ-OFSQETHSSA-N 497.850 6.010 50 10 JKGE CC(CCc1ccccc1)=NNC(=O)CNc1cc(Br)c(C)c(Br)c1 254484658 WTEKUCCECRUASV-UHFFFAOYSA-N 467.205 5.057 50 10 JKGE BrCc1c(I)sc2cc(I)ccc12 306880116 GYPABKGJLWTYEG-UHFFFAOYSA-N 478.918 5.005 50 10 JKGE FC(F)(F)c1csc([C@@H](Br)c2ccc(Cl)cc2Cl)c1Br 312887591 VUQGFJJBYGEEKI-VIFPVBQESA-N 468.947 7.321 50 10 JKGE Clc1cc(Oc2ccc(CBr)cc2Br)ccc1Br 313524819 UCHKKUXAOVHJEZ-UHFFFAOYSA-N 455.371 6.552 50 10 JKGE Cc1ccc(Br)cc1COc1c(Br)cc(CCl)cc1Br 313672960 FBTSPSJCWVOSHS-UHFFFAOYSA-N 483.425 6.600 50 10 JKGE O=C(OCc1ccccc1)N1C[C@@H](CBr)[C@H](c2cc(Br)ccc2Cl)C1 382687569 KHWTVLDYFUCWRQ-RHSMWYFYSA-N 487.619 5.850 50 10 JKGE O=C(N[C@@H](CBr)C1CCCCC1)c1ccc(Br)cc1Br 386079461 BPKISIXKKLMGPZ-AWEZNQCLSA-N 468.027 5.285 50 10 JKGE 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 504248806 GDOXPOQXTZCSGF-HDYYXZQOSA-N 491.200 9.247 50 10 JKGE CC(C)(C)OC(=O)NCCN1CCCCC[C@H]1c1ccccc1CO[Si](C)(C)C(C)(C)C 616634173 XLJNSCFKJJNYJY-QHCPKHFHSA-N 462.751 6.650 50 10 JKGE CC(C)(C)OC(=O)Nc1ccc([C@@H]2c3ccccc3CCN2CCO[Si](C)(C)C(C)(C)C)cc1 616678408 HQHQARZBEYNFQE-RUZDIDTESA-N 482.741 7.003 50 10 JKGE Fc1cc(Br)ccc1C[C@@H](Br)c1cc(Cl)c(Br)s1 692783587 VPGHMHNUHFKIMW-MRVPVSSYSA-N 477.418 6.744 50 10 JKGE COc1cccc(C[C@@H](Br)c2scc(Br)c2Br)c1 705485874 URPDIZNVPASGQS-SNVBAGLBSA-N 455.009 5.960 50 10 JKGE C[C@@H](COCc1ccccc1)CC(CBr)(CBr)c1cccc(Cl)c1 719439102 LZOVQPGWGYEHIM-MRXNPFEDSA-N 474.664 6.611 50 10 JKGE Cc1ccc([C@@H](Cl)c2ccc(Br)cc2Br)c(C)c1Br 719577894 QWPAASLNYSPWER-OAHLLOKOSA-N 467.426 6.919 50 10 JKGE C[C@@H]1Cc2cc(Br)cc([C@H](Br)c3sccc3Br)c2O1 720032898 MSQJAUGQIHLOJQ-KRTXAFLBSA-N 467.020 6.081 50 10 JKGE C[C@@H](Cl)c1nc2cc(I)ccc2n1CC[C@H]1CCN(Cc2ccccc2)C1 723936242 BHRMWZSXNJUGIE-SJLPKXTDSA-N 493.820 5.853 50 10 JKGE Cc1c(Br)c(C=NNC(=O)COc2ccc(Cl)cc2Cl)c(C)n1-c1ccccc1 725392357 PJYBYVVZJXKYCI-UHFFFAOYSA-N 495.204 5.693 50 10 JKGE O=C(NN=Cc1ccccc1OCc1ccc2c(c1)OCO2)c1cc2cc(Br)ccc2o1 1083853523 DBGIAPYKNALAHK-UHFFFAOYSA-N 493.313 5.267 50 10 JKGE CC(C)c1ccc(C=NNC(=O)c2ccc3c(c2)CN(c2ccc(Br)cc2)C3)cc1 1083911029 PMGNPFMWXBDCSU-UHFFFAOYSA-N 462.391 5.857 50 10 JKGE Cc1c(C=NNC(=O)CC[C@@H](O)c2ccccc2)c2ccccc2n1Cc1ccc(Cl)cc1 1084474292 QZGKGNPRMMRSCP-AREMUKBSSA-N 459.977 5.615 50 10 JKGE CC(=NNC(=O)CCCSc1nnc(CCc2ccccc2)n1-c1ccccc1)c1ccc(C)cc1 1084602741 IGOCZQCZVSKUJO-UHFFFAOYSA-N 497.668 5.774 50 10 JKGE COc1ccc(Br)cc1C=NNC(=O)CSc1nc(-c2ccc(Cl)cc2)cs1 1772754962 CRCWOYGXPFDYSO-UHFFFAOYSA-N 496.839 5.477 50 10 JKGE CC[C@H](Cl)C(=O)O[C@H]1CC[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 1848665331 AYVNXDFYJLGZKZ-HRBOPHOOSA-N 491.200 8.957 50 10 JKGE O=C(Nc1ncccc1OCC(=O)c1ccc(-c2ccccc2)cc1)Oc1ccc([N+](=O)[O-])cc1F 1858695769 TWCGAWPPTGTYNG-UHFFFAOYSA-N 487.443 5.669 50 10 JKGE N#CC1=C(N)Oc2c(c(-c3ccccc3)nn2-c2ccccc2Cl)[C@@H]1c1cccc2ccccc12 1865681940 BFULPFVCUQVBPI-RUZDIDTESA-N 474.951 6.564 50 10 JKGE COc1ccc(-n2nc(-c3ccccc3)c3c2OC(N)=C(C#N)[C@@H]3c2c(F)cccc2Cl)cc1 1865682545 RAZKNMOBLUTXRV-OAQYLSRUSA-N 472.907 5.559 50 10 JKGE Cc1nn(Cc2ccc(Cl)c(Cl)c2)c2c1[C@@H](c1ccc(Cl)cc1Cl)C(C#N)=C(N)O2 1865684989 BUCBNONPLJSBFW-IBGZPJMESA-N 480.182 6.072 50 10 JKGE CCCOc1ccc([C@H]2C(C#N)=C(N)Oc3c2c(CCC)nn3-c2cccc(Cl)c2)cc1OCC 1865688322 PDNHTGCKKLVPDH-DEOSSOPVSA-N 493.007 5.884 50 10 JKGE CCCCCOc1ccc([C@H]2C(C#N)=C(N)Oc3c2c(C(F)(F)F)nn3Cc2ccccc2)cc1 1865690166 KJRZUWGEGOFSHI-NRFANRHFSA-N 482.506 5.737 50 10 JKGE N#C/C(=C(/O)CCCOc1ccc2ccccc2c1)c1nc(-c2ccc(Br)cc2)cs1 1872746790 YIHUGXJXIYPDCL-GYHWCHFESA-N 491.410 7.378 50 10 JKGE CC(C)c1ccc(-c2csc(/C(C#N)=C(\O)c3cc(C(F)(F)F)cc(C(F)(F)F)c3)n2)cc1 1872751907 HBKDCECASHVPBW-ZZEZOPTASA-N 482.449 7.921 50 10 JKGE COc1cc(/C=C(\C#N)c2nc(-c3c(C)cc(C)cc3C)cs2)ccc1OC(=O)c1ccccc1 1872794351 WWQONBXBAFPXJI-OEAKJJBVSA-N 480.589 7.027 50 10 JKGE CCCOc1ccc(-c2csc(/C(C#N)=C(\O)c3ccccc3OC)n2)cc1OCCC 1872817874 BBMKCJOJEDXSJV-CLCOLTQESA-N 450.560 6.346 50 10 JKGE CCc1nn(C)c([C@@H](Cl)c2cc(Br)ccc2Br)c1Br 1877184501 SVXMVOVCJBRKSQ-LBPRGKRZSA-N 471.418 5.598 50 10 JKGE O=S(=O)(c1ccc(CCBr)s1)N(Cc1ccccc1)Cc1ccccc1 1880808936 FDOZKYKZEDRZIR-UHFFFAOYSA-N 450.423 5.077 50 10 JKGE Cc1c(Cl)sc(Cl)c1[C@@H](Br)c1cc(I)sn1 1899901928 WSTJXBVBOIMRLS-ZETCQYMHSA-N 468.994 5.909 50 10 JKGE C[C@@H](CCBr)N(Cc1ccccc1)C(=O)c1ccc(Br)cc1Cl 1915129667 BNBILZSLEGGVAZ-ZDUSSCGKSA-N 459.609 5.918 50 10 JKGE Cc1ccc(Br)cc1C(=O)N(Cc1ccccc1)[C@H](CBr)C1CC1 1915276925 WIRAVZGEKHBAAX-LJQANCHMSA-N 451.202 5.573 50 10 JKGE CN(C[C@H](Cl)COCc1ccccc1)C(=O)c1cc(Br)cc(Br)c1 1916355549 VZQDXSDWQYXOKF-KRWDZBQOSA-N 475.608 5.108 50 10 JKGE Fc1cc(F)c([C@H](Br)c2sc(Br)cc2Br)c(F)c1 1922945948 MCACWLJULFKLII-JTQLQIEISA-N 464.926 6.175 50 10 JKGE Cc1ccc([C@H](Br)c2c(Br)sc(Br)c2Cl)c(C)c1 1923038944 LXJYLXYKLQOBPU-JTQLQIEISA-N 473.455 7.028 50 10 JKGE CC(C)C[C@H](C)[C@H](Br)c1c(Br)sc(Br)c1Cl 1923063082 VZLOATQKPABELA-XPUUQOCRSA-N 453.465 7.045 50 10 JKGE Clc1c(Br)sc(Br)c1[C@H](Br)[C@@H]1CCCCO1 1923067970 LDAKPIGPZAIJPR-CAHLUQPWSA-N 453.421 5.932 50 10 JKGE Fc1cccc(Cl)c1C[C@H](Br)c1c(Cl)sc(Br)c1Cl 1925591044 UIPBAEZETXWMKD-LURJTMIESA-N 467.412 7.289 50 10 JKGE Brc1cc([C@@H](Br)c2sncc2Br)sc1Br 1928068744 QLQSBULTRINFKH-ZCFIWIBFSA-N 496.869 5.976 50 10 JKGE COc1cc(Br)c(C)cc1[C@H](Br)c1ncsc1Br 2029251208 HCXXSCIKICXDKD-JTQLQIEISA-N 455.997 5.469 50 10 JKGE Brc1sc([C@H](Br)c2cccc(OCc3ccccc3)c2)cc1C1CC1 2033635435 SBHRQZNOIRNLII-HXUWFJFHSA-N 478.249 7.451 50 10 JKGE FC(F)(F)c1csc([C@H](Br)c2cc(Br)cs2)c1Br 2052436808 KVXMMVFQBDZECH-MRVPVSSYSA-N 484.982 6.838 50 10 JKGE FC(F)(C1CCCC1)[C@H](Cl)c1c(Br)sc(Br)c1Br 2065539432 GTKHZLKZBFAHEH-MRVPVSSYSA-N 487.429 7.141 50 10 JKGE Fc1c(F)c(F)c(-n2nc(CBr)c(Br)c2C(F)(F)F)c(F)c1F 2079232813 GBPSLIWLBBXOMB-UHFFFAOYSA-N 473.943 5.244 50 10 JKGE Fc1ccc([C@H](Br)c2ccc(Br)cc2Br)cc1Cl 2083341209 YEDUXZFPVCSTAS-ZDUSSCGKSA-N 457.362 6.488 50 10 JKGE Clc1c(Br)ccc(CBr)c1N1C[C@@H]2CN(Cc3ccccc3)CC[C@H]2C1 2098118015 SGHPICZHLJIZCR-ROUUACIJSA-N 498.690 5.956 50 10 JKGE FC1(F)CCCCC[C@@H]1[C@H](Cl)c1c(Br)sc(Br)c1Cl 2108661038 DLUKQVBLZJHUEI-SVRRBLITSA-N 457.005 7.422 50 10 JKGE Cc1nc([C@H](Br)c2scc(C(F)(F)F)c2Br)c(Br)s1 2113184862 JZFYRPRXNAOIBR-LURJTMIESA-N 499.997 6.541 50 10 JKGE Fc1ccc(I)cc1[C@H](Cl)c1ccc(F)c(Br)c1F 2113350321 CLLXQOWHPJVYSA-GFCCVEGCSA-N 461.446 5.799 50 10 JKGE Brc1csc([C@@H](Br)c2cc(Br)cc3c2OCCC3)c1 2115939569 FSLSBDWKKQLNTD-ZDUSSCGKSA-N 467.020 6.082 50 10 JKGE C[C@@H](CBr)[C@H]1CCCCN1Cc1cc(Br)ccc1Br 2118518874 DFQWYDYWQISITG-XHDPSFHLSA-N 454.044 5.597 50 10 JKGE CC1(C)CC12CC(CBr)(Cc1cccc(Br)c1Br)C2 2127496785 AULXHDWGOKCBON-UHFFFAOYSA-N 451.040 6.346 50 10 JKGE Cc1cc([C@@H](Br)c2ccc(F)c(Cl)c2F)ccc1I 2142143702 MQNPZIOICQLERM-GFCCVEGCSA-N 457.483 6.016 50 10 JKGE CCn1ncc(Br)c1[C@@H](Br)c1c(Br)cc(F)c(F)c1F 2150667096 XXEDIXQBQYCKIT-VIFPVBQESA-N 476.916 5.330 50 10 JKGE C[C@H](Br)C12CCC(CC1)N2C(=O)c1c(Br)cccc1Br 2153396733 JVDNCSIRXDFDKM-YLTRJXTNSA-N 466.011 5.132 50 10 JKGE C[C@@H](Cl)c1nc2cc(Br)c(Cl)cc2n1C1CCN(Cc2ccccc2)CC1 2160079477 BXSMQCWEAPZIDS-CQSZACIVSA-N 467.238 6.589 50 10 JKGE Fc1ccc(I)cc1[C@@H](Cl)c1scc(C(F)(F)F)c1Br 2169668203 NHRCRCVCNZFZLT-SNVBAGLBSA-N 499.492 6.601 50 10 JKGE Fc1cc(Br)cc(N2CC[C@@H]3CCN(Cc4ccccc4)C[C@H]3C2)c1CCl 2170696132 ZIWWCYWWMPMUEH-ROUUACIJSA-N 451.811 5.675 50 10 JKGE C[C@@H](c1cccs1)N(Cc1ccccc1)S(=O)(=O)Cc1cccc(CBr)c1 2179784802 DXGVGJLXWBZBFI-KRWDZBQOSA-N 464.450 5.736 50 10 JKGE CCc1nc([C@H](Br)c2cc(Br)c(OC)cc2C)c(Br)s1 2198732631 LPRYBOJSAWMBNB-GFCCVEGCSA-N 484.051 6.032 50 10 JKGE O=C(c1scc(Br)c1Br)N1C[C@H]2CCC[C@@](CBr)(C2)C1 2199675783 HXPVAHIUNOMFFH-XPTSAGLGSA-N 486.067 5.300 50 10 JKGE CCn1ncc(Br)c1[C@@H](Br)c1cc(Br)c(OC)cc1F 2202912013 GYAUSCPSETZMRU-LBPRGKRZSA-N 470.962 5.060 50 10 JKGE FC1(F)CCC[C@@H](O[C@H](CI)c2ccccc2Br)CC1 2207040112 RUSIYJMISJKYAX-BXUZGUMPSA-N 459.112 5.910 50 10 JKGE C[C@H](Cl)c1ccccc1NC(=O)c1ccc(Br)cc1I 2207266550 APYZKWWXCZYYOU-VIFPVBQESA-N 464.528 5.606 50 10 JKGE Cc1cccc([C@@H](Cl)c2sc(Br)c(C)c2C)c1I 2218789708 VYKDVAAHRFONPJ-LLVKDONJSA-N 455.586 6.369 50 10 JKGE CC(C)(C)N1C[C@H](Cl)[C@@H](c2sc(Br)c(Br)c2Br)C1 2222475134 ZOVGUIRRSHTAKJ-BQBZGAKWSA-N 480.491 5.841 50 10 JKGE Cc1ccc(C[C@@H](Br)c2cc(Br)c(Br)cc2F)cc1 2225618370 YQXUEMQSOACFOA-GFCCVEGCSA-N 450.971 6.338 50 10 JKGE Fc1ccc(Cl)c(F)c1[C@@H](Br)c1cc(Br)ccc1Br 2226581120 JGEJILOWAYKFBF-LBPRGKRZSA-N 475.352 6.628 50 10 JKGE Cc1c(F)ccc([C@@H](Cl)c2cc(Br)ccc2I)c1F 2231075263 ALRZUNWTJJRINP-CYBMUJFWSA-N 457.483 5.969 50 10 JKGE Clc1cc(Br)c([C@@H](Br)CC23CCC(CC2)C3)c(Cl)c1Cl 2232526002 FUEFPPUOSDAFOU-VGWYGZTPSA-N 461.452 7.816 50 10 JKGE FC(F)(F)[C@@H]1CC[C@@H]1[C@@H](Br)c1c(Br)cc(Cl)c(Cl)c1Cl 2232580837 KKPBIBMDZKRIOZ-OBXARNEKSA-N 475.357 7.434 50 10 JKGE COc1cc(F)c(Br)cc1[C@@H](Cl)c1ccc(C)c(I)c1 2232834053 QVLTZQIBYFIBDQ-HNNXBMFYSA-N 469.519 5.838 50 10 JKGE COc1cc([C@H](Cl)c2cc(Br)c(Br)cc2F)ccc1Br 2233974297 DRQCKVMNLFBQKV-AWEZNQCLSA-N 487.388 6.450 50 10 JKGE Cc1cc(Br)c(F)c([C@H](Cl)c2cc(Br)c(Br)cc2F)c1 2233985035 AZOUBPIKTMYONL-CYBMUJFWSA-N 489.379 6.889 50 10 JKGE Fc1cc([C@@H](Br)Cc2ccc(Br)cc2Cl)c(F)cc1Br 2237450008 CQGMKLUAPQPMNY-JTQLQIEISA-N 489.379 6.822 50 10 JKGE Fc1cc(Br)c(F)c(Br)c1[C@@H](Cl)C1CC(Br)C1 2250747731 PRSKWMQSLJBEFO-BNKMTRCXSA-N 453.346 5.943 50 10 JKGE C[C@H](Cl)c1nc2cc(CF)ccc2n1CCCN(Cc1ccccc1)Cc1ccccc1 2256333344 MMCQQRNFZBWWFK-NRFANRHFSA-N 450.001 6.898 50 10 JKGE COc1cc(C)c([C@@H](Br)c2sccc2I)c(OC)c1 2271593108 ABFWIKGZKBFJMK-CYBMUJFWSA-N 453.139 5.163 50 10 JKGE COc1cc(F)c(Cl)cc1[C@@H](Br)c1c(F)cccc1I 2282895724 BACLMNMIIIFJQZ-CQSZACIVSA-N 473.482 5.716 50 10 JKGE COc1cc(Cl)c([C@@H](Cl)c2c(F)cccc2I)cc1Br 2282896750 LZFAGNCJLQIXHN-CQSZACIVSA-N 489.937 6.183 50 10 JKGE COc1ccc([C@@H](Cl)c2cccc(C)c2I)c(Br)c1Cl 2283552004 FCWMHYBBNIYMSA-CYBMUJFWSA-N 485.974 6.352 50 10 JKGE COc1ccc([C@H](Cl)c2ccc(F)cc2I)c(Br)c1Cl 2283552809 JCQDGCYHNZNIST-CYBMUJFWSA-N 489.937 6.183 50 10 JKGE COc1ccc([C@H](Br)[C@H]2CC(F)(F)C23CCC3)cc1I 2285013202 TZZMOMVFIVISQG-MFKMUULPSA-N 457.096 5.561 50 10 JKGE Fc1cc(Br)c(F)c(Br)c1[C@H](Cl)Cc1ccc(Br)cc1 2288355038 OMGCODBNBCTHHH-SNVBAGLBSA-N 489.379 6.775 50 10 JKGE CCOC(=O)c1sc(NC=C(C#N)c2nc(-c3ccc(C)cc3)cs2)c(C(=O)OCC)c1C 2296790143 RQWNMCYWXRZPLZ-UHFFFAOYSA-N 481.599 5.818 50 10 JKGE Brc1ccc(OCc2ccccc2)c([C@@H](Br)[C@H]2C[C@@H]3CC[C@H]2C3)c1 2299493944 MMSHVMHCUOSROK-JQZBISMTSA-N 450.214 6.900 50 10 JKGE CC1(C)[C@@H]([C@@H](Br)c2ccc(OCc3ccccc3)cc2Br)C1(F)F 2299508880 LLDVCWYUWZTWDU-DLBZAZTESA-N 460.156 6.755 50 10 JKGE Cc1cc([C@@H](Cl)c2cc(Br)ccc2OCc2ccccc2)sc1Br 2299533724 WBEAVQCMDRVFOB-SFHVURJKSA-N 486.656 7.489 50 10 JKGE CC(C)(C)OC(=O)N1C[C@H](OCCC2CCCCCCC2)[C@H](I)C1 2302983855 LPBGVWCGTOQNFA-SJORKVTESA-N 451.389 5.177 50 10 JKGE Brc1cc(CO[C@H]2CCCC[C@@H]2Br)ccc1I 2306300473 AZYNDACQDHYVNW-GWCFXTLKSA-N 473.974 5.276 50 10 JKGE N#CC(=Cc1ccc(-c2ccc(C34CC5CC(CC(C5)C3)C4)cc2[N+](=O)[O-])o1)c1ccccc1 2313549376 UUZAOAQECMZNHR-UHFFFAOYSA-N 450.538 7.387 50 10 JKGE CCOc1ccc(NC(=O)C(C#N)=Cc2cccc(OCc3ccc(Br)cc3)c2)cc1 2313681164 PAAYKZCMOSOYMS-UHFFFAOYSA-N 477.358 5.972 50 10 JKGE Cc1ccc(C=CC(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@H]3c2cccc(OCCC(C)C)c2)cc1 2314634809 OINBNXRUGNHYJT-PMERELPUSA-N 494.591 6.257 50 10 JKGE BrCC(CBr)(Cc1nc(Br)cs1)C1CCCCC1 2320000120 ALDNRHCZEWQFQW-UHFFFAOYSA-N 460.073 5.805 50 10 JKGE CC1(C)CC[C@@H](CBr)N1Cc1ccc(I)c(Br)c1 2325214154 XUJDNVASTYEXBW-NSHDSACASA-N 487.017 5.192 50 10 JKGE CC[C@@H](NC=C(C#N)C(=O)Nc1ccc(Cl)c(C(F)(F)F)c1)c1ccc2c(c1)CCCC2 2325382621 GYQAASZAMPGXAT-JOCHJYFZSA-N 461.915 6.324 50 10 JKGE O=C(NN=C1C(=O)N(Cc2ccccc2Cl)c2ccccc21)c1ccc(C(F)(F)F)cc1 2326841545 XDNCDKWRAJAHEF-UHFFFAOYSA-N 457.839 5.040 50 10 JKGE N#CC(=C(O)[C@H]1CC(=O)N(Cc2ccccc2)C1)c1nc(-c2cccc(Br)c2)cs1 2331278725 DMIUPIBLLWLQQE-KRWDZBQOSA-N 480.387 5.414 50 10 JKGE CC[C@@H](C)N1C(=O)c2ccc(C(O)=C(C#N)c3nc(-c4ccc([N+](=O)[O-])cc4)cs3)cc2C1=O 2331281077 FEBPTXPOJNWYIT-CYBMUJFWSA-N 474.498 5.063 50 10 JKGE CCCOc1ccc(-c2csc(C(C#N)=C(O)C(c3ccccc3)c3ccccc3)n2)cc1 2331315889 DDUDYEQGIOJMGJ-UHFFFAOYSA-N 452.579 7.224 50 10 JKGE COc1ccc(C=C(C(O)=C(C#N)c2nc(-c3ccc(F)c(C)c3)cs2)c2ccccc2)cc1 2331320517 ZKKQMNCTCKKJJI-UHFFFAOYSA-N 468.553 7.300 50 10 JKGE COc1cc(C)c(-c2csc(C(C#N)=C(O)[C@@H](C(C)C)N3C(=O)c4ccccc4C3=O)n2)cc1C 2331402686 GMEVFXNZRJBSDV-HSZRJFAPSA-N 487.581 5.549 50 10 JKGE CCOc1cc(C=C(C#N)c2nc(-c3ccc(C)cc3C)cs2)ccc1OCc1ccccc1 2331443444 QXLSKFCIYDLTDO-UHFFFAOYSA-N 466.606 7.469 50 10 JKGE Cn1nc(Br)c(Br)c1[C@@H](Cl)c1cc(Br)c(Cl)cc1F 2338720441 RDHXMEZCFSFQNK-VIFPVBQESA-N 495.799 5.828 50 10 JKGE Fc1cc(CBr)cc(F)c1Oc1cc(Br)cc(Br)c1 2338758371 QXEQWQGODPBMEN-UHFFFAOYSA-N 456.906 6.177 50 10 JKGE COc1c(C)cc([C@H](Br)c2sc(Cl)cc2I)cc1Cl 2338770486 KFBDUTOWMMGJTC-NSHDSACASA-N 492.003 6.461 50 10 JKGE O=S1(=O)CCC([C@H](Br)c2c(F)cc(Cl)c(Br)c2Cl)CC1 2360502137 PJYVCDLCVDMWKT-JTQLQIEISA-N 468.997 5.156 50 10 JKGE Fc1cccc(Cl)c1[C@@H](Cl)c1c(Cl)cc(Br)c(F)c1Br 2362240173 OFBORGVLYDCDTQ-GFCCVEGCSA-N 465.346 7.125 50 10 JKGE Clc1ccc([C@H](Br)c2cccc3ccccc23)c(I)c1 2365594158 XVIBUGGGTUXWLG-QGZVFWFLSA-N 457.536 6.582 50 10 JKGE Clc1ccc(CN2[C@H](CBr)C[C@@H]3CCCC[C@@H]32)c(I)c1 2366715858 SKRRFQLARJBFGB-PJODQICGSA-N 468.604 5.473 50 10 JKGE Clc1ccc(CN2CCC3(CC[C@H](Br)C3)CC2)c(I)c1 2366721221 IDKTVCUKFNMXCT-ZDUSSCGKSA-N 468.604 5.474 50 10 JKGE Clc1cc(Cl)cc(CC[C@H](Br)c2cccc(Cl)c2Br)c1 2366901854 DEGCCDGNVACKKQ-ZDUSSCGKSA-N 457.420 7.478 50 10 JKGE CC(C)(C)[C@@H]1CC[C@@H]1[C@@H](Br)c1c(F)cc(Br)c(F)c1Br 2369054915 ICBKPZHUKJGRBL-JOAULVNJSA-N 475.009 6.998 50 10 JKGE Clc1ccc(I)cc1CN1CC[C@@H]2CC[C@H](Br)C[C@@H]2C1 2380531890 VTXZZRVQCVZBPM-SCRDCRAPSA-N 468.604 5.330 50 10 JKGE FC(F)(F)[C@H]1C[C@@H](CO[C@H](CI)c2ccccc2Br)C1 2381176723 NWUVQJVYCWAABD-GBIKHYSHSA-N 463.075 5.530 50 10 JKGE N#CC(=C/c1c[nH]c2ccc(OCc3ccccc3)cc12)/C(O)=N/c1cc(C(F)(F)F)ccc1Cl 2727007 QFRZQMMYVOLNOQ-YVLHZVERSA-N 495.888 7.614 50 10 JKGE N#CC1=C2N=C(N)c3ccccc3N2C2=C(C(=O)C[C@@H](c3ccccc3)C2)[C@H]1c1ccccc1F 3654422 DGMOWYHWAMKBMU-QYBDOPJKSA-N 460.512 5.284 50 10 JKGE CCCCCOc1ccc(/C=C(/C#N)C(=O)Nc2scc(-c3ccccc3)c2C(=O)OCC)cc1 33891409 MEQKRCMXNYOAAR-XLNRJJMWSA-N 488.609 6.706 50 10 JKGE CCSc1ccc(-c2nn(-c3ccccc3)cc2/C=C(/C#N)C(=O)NC2CCCCC2)cc1 35445848 NXOQMPDBQGNULZ-FXBPSFAMSA-N 456.615 6.007 50 10 JKGE Cc1ccc(S(=O)(=O)/C(C#N)=C/c2cn(-c3ccccc3)nc2C23CC4CC(CC(C4)C2)C3)cc1 35447074 MRQCYUVWNFDABV-MZJWZYIUSA-N 483.637 5.987 50 10 JKGE COc1cc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4ccccc4)ccc32)ccc1OCC(C)C 38684093 AITYRIRMQQLDTD-SANMLTNESA-N 470.525 5.167 50 10 JKGE CCCCCOc1ccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)COc4ccc(C)cc4)ccc32)cc1 38685311 TVXXPGMNADOPEG-GDLZYMKVSA-N 498.579 5.767 50 10 JKGE Cc1ccc(C)c(NC(=O)/C(C#N)=C\c2c(Oc3ccccc3Cl)nc3c(C)cccn3c2=O)c1 39858681 YVQAWZPKEBASQH-RGEXLXHISA-N 484.943 5.611 50 10 JKGE Cc1cccc(Oc2nc3c(C)cccn3c(=O)c2/C=C(/C#N)C(=O)Nc2ccc(Cl)cc2)c1C 39858802 IWRWOKHWSMSCEG-RGEXLXHISA-N 484.943 5.611 50 10 JKGE COc1ccc(NC(=S)NNC(=O)c2ccc(-c3cc(C(F)(F)F)ccc3Cl)o2)cc1 39892596 PBXALEMHFSSHCY-UHFFFAOYSA-N 469.872 5.259 50 10 JKGE Cc1ccccc1C(=O)N/N=C1\CCCc2oc(C(=O)Nc3ccc(Cl)c(Cl)c3)c(C)c21 40811491 KDUYXKJXSBKDPY-TURZUDJPSA-N 470.356 5.926 50 10 JKGE Cc1ccc(Cl)cc1NC(=O)c1oc2c(c1C)/C(=N/NC(=O)c1ccccc1Cl)CCC2 40812638 URMKGUGMVPVOMA-MTDXEUNCSA-N 470.356 5.926 50 10 JKGE CC(C)c1ccccc1OCC(=O)N/N=C/c1cc(Br)ccc1OCc1ccccc1 40912353 CZHJIRWDZQQEMD-JFLMPSFJSA-N 481.390 5.681 50 10 JKGE CC[C@@H](C)c1ccccc1OCC(=O)NNC(=O)C(C)(C)CCCOc1cc(C)ccc1C 66201381 ZWEMLXDALUIWQR-HXUWFJFHSA-N 454.611 5.229 50 10 JKGE COc1ccc(-c2csc(/C(C#N)=C\Nc3cc(OC)c(OC)cc3C(C)=O)n2)cc1OC 102417486 DXUNWRTXNKUGNZ-VBKFSLOCSA-N 465.531 5.024 50 10 JKGE Clc1cc2c(cc1[C@H](Br)c1ccccc1I)OCCO2 109867526 GQRALWMRELVQCL-OAHLLOKOSA-N 465.512 5.200 50 10 JKGE FC(F)(F)c1cc([C@@H](Br)c2cc(Cl)sc2Cl)ccc1Br 124616054 AZTSWFFOACWDOW-SNVBAGLBSA-N 468.947 7.321 50 10 JKGE Cc1cc(Br)c([C@@H](Br)c2cccc(F)c2F)cc1Br 128778847 CUVZLDHOUOJUEV-ZDUSSCGKSA-N 454.934 6.283 50 10 JKGE Cc1ccc([C@@H](Br)c2cc(F)c(Br)cc2F)cc1Br 130477380 NOSOVQHFJLCPOQ-CQSZACIVSA-N 454.934 6.283 50 10 JKGE CCCCC/C=C\C[C@H](/C=C/C=C/C(=O)OC)O[Si](c1ccccc1)(c1ccccc1)C(C)(C)C 170025000 YAHCDAUVPFRCEC-IPYVDYMMSA-N 490.760 6.744 50 10 JKGE COc1cc(/C=C(/C#N)c2ccc(Cl)cc2)ccc1OC(=O)COc1c(C)ccc(C)c1C 197814032 KBFPTURJWKTHHA-XKZIYDEJSA-N 461.945 6.322 50 10 JKGE CC(C)(C)[Si](C)(C)Oc1cccc(-c2ccc(I)c3c2CNC3=O)c1 205278462 ZKELLGARVJHJRM-UHFFFAOYSA-N 465.407 5.586 50 10 JKGE CC(C)(C)c1ccc(/C=C\C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@@H]3c2ccccc2F)cc1 205645000 WZCFBWBLACMQMR-ZMLCQSFJSA-N 468.528 5.960 50 10 JKGE Cc1cc(Br)c([C@@H](Br)CCOCC(F)F)cc1Br 232344938 QULSBHJJVDAMFQ-VIFPVBQESA-N 450.943 5.628 50 10 JKGE CC(C)(C)C[C@@H](Br)CNC(=O)c1cc(Br)sc1Br 232494655 KEKYJOFUDBGDLH-SSDOTTSWSA-N 462.045 5.203 50 10 JKGE CC(C)(C)c1ccc([C@@H](Cl)c2cc(I)ccc2Br)cc1 232562953 CGCLGUDHIOFDLN-MRXNPFEDSA-N 463.584 6.679 50 10 JKGE CCOc1cc(Cl)c([C@@H](Cl)c2cc(Br)sc2Br)cc1Cl 233792147 DICXRULYKAXYJJ-GFCCVEGCSA-N 479.448 7.307 50 10 JKGE CCOc1ccc([C@H](Cl)c2cc(Br)ccc2I)cc1 233801922 QMNLHLOHLCJELW-HNNXBMFYSA-N 451.529 5.781 50 10 JKGE CCOc1ccc(-c2cc(C(=O)NN=C(C)c3cccnc3)c3ccccc3n2)c(OCC)c1 254290052 HWQUGDSCEOXIRB-UHFFFAOYSA-N 454.530 5.248 50 10 JKGE CCCCCOc1ccc(C=NNC(=O)Nc2sc(C(C)=O)c(C)c2C(=O)OCC)cc1OC 256017311 DMXIHYLAXOBWKZ-UHFFFAOYSA-N 489.594 5.169 50 10 JKGE Cc1cc(C)c([C@@H](Br)c2cccc(Br)c2C)c(C)c1Br 312471166 BESCHMKSKXEXLS-KRWDZBQOSA-N 461.035 6.930 50 10 JKGE C[C@H](Br)C[C@H]1CCCCCN1C(=O)c1cc(Br)sc1Br 380082921 BEEYQOXDLCYIGO-VHSXEESVSA-N 488.083 5.831 50 10 JKGE COCC1(COc2c(Br)cc(Br)cc2CBr)CCC1 382000360 LEMFIXMXIFZFCD-UHFFFAOYSA-N 457.000 5.302 50 10 JKGE Brc1ccccc1[C@H]1CN(Cc2ccccc2)C[C@@H]1CI 394615536 KMHGLVCQIJAJSJ-RDJZCZTQSA-N 456.165 5.100 50 10 JKGE CC(C)(C)OC(=O)N1C[C@@H](CI)[C@H](c2c(Cl)cccc2Cl)C1 394769840 FHLMJGJONCMOTK-GHMZBOCLSA-N 456.151 5.379 50 10 JKGE CC[C@H](O[Si](C)(C)C(C)(C)C)[C@@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)O 399958043 YJNCBEAMILHGCH-XZOQPEGZSA-N 469.654 5.779 50 10 JKGE Cc1ccc([C@H](Br)c2ccc(F)cc2Br)c(C)c1Br 719537469 PXSIUHKJMRQNBH-HNNXBMFYSA-N 450.971 6.452 50 10 JKGE C[C@H](Cl)c1ccccc1NC(=O)c1ccc(I)c(Br)c1 721572516 LPBYDLJMXPBOBN-VIFPVBQESA-N 464.528 5.606 50 10 JKGE CCCOc1c(Br)cc(/C=C(\C#N)C(=O)Nc2cc(C)ccc2C)cc1OCC 1084144743 CCNZUVGGTVOXQL-WOJGMQOQSA-N 457.368 5.799 50 10 JKGE O=C(NN=Cc1cc(Cl)ccc1OCc1ccc(Cl)cc1)c1ccccc1Br 1084227453 IHGFHTBYNGPIKP-UHFFFAOYSA-N 478.173 6.099 50 10 JKGE C#CCOc1c(Cl)cc(C=NNC(=O)c2cc3cc(Br)ccc3o2)cc1Cl 1084339527 BEFDNRVNOUTXQH-UHFFFAOYSA-N 466.118 5.278 50 10 JKGE 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 1085210858 MFEGXCLQSLHLPH-ZFFRBKBCSA-N 453.406 5.217 50 10 JKGE Cc1c(C(=O)Nc2ccc(Cl)cc2)oc2c1C(=NNC(=O)c1cccc(Cl)c1)CCC2 1772745792 HLQCFAXRQSASMS-UHFFFAOYSA-N 456.329 5.618 50 10 JKGE N#CSc1ccc(NC(=O)Oc2cccc3c(NC(=O)c4ccccc4F)cccc23)cc1 1858767716 PLEWYSCDCKMNDO-UHFFFAOYSA-N 457.486 6.415 50 10 JKGE O=C(NNC(=O)c1ccc(-c2ccc3ccccc3c2)s1)c1cccc(Br)c1 1860391453 HTROHSBVJHAOPJ-UHFFFAOYSA-N 451.345 5.406 50 10 JKGE N#CC1=C(N)Oc2c(c(C(F)(F)F)nn2-c2ccc(Cl)cc2)[C@H]1c1ccc(Cl)cc1Cl 1865686010 QDXIPUWJRMPTAI-HNNXBMFYSA-N 485.680 6.069 50 10 JKGE CCCc1nn(Cc2ccc(F)cc2)c2c1[C@H](c1ccc(OCC)c(OCC)c1)C(C#N)=C(N)O2 1865689781 WMVSRUNFHFOMBB-XMMPIXPASA-N 476.552 5.039 50 10 JKGE CCCc1nn(CC(C)C)c2c1[C@@H](c1c(OCc3ccccc3)ccc3ccccc13)C(C#N)=C(N)O2 1865703814 GGLNHHLIZFPMGP-MUUNZHRXSA-N 492.623 6.442 50 10 JKGE CCc1nn(Cc2ccccc2Cl)c2c1[C@@H](c1ccc(C(F)(F)F)cc1)C(C#N)=C(N)O2 1865711312 VLJXBPBQMPZVEK-IBGZPJMESA-N 458.871 5.384 50 10 JKGE Cc1ccc(-n2nc(C(F)(F)F)c3c2OC(N)=C(C#N)[C@H]3c2ccc(Br)cc2)cc1 1865714049 BHAMIJHPRDMQTQ-MRXNPFEDSA-N 475.268 5.180 50 10 JKGE COc1ccc([C@@H](CC(=O)NC(C)(C)C(=O)Nc2ccc(SC#N)cc2)C(C)C)cc1C 1866768000 IAAVHMZZTACSDR-NRFANRHFSA-N 453.608 5.240 50 10 JKGE CCC[C@@H](NC(=O)[C@@H](c1ccc(C(C)C)cc1)C(C)C)C(=O)Nc1ccc(SC#N)cc1 1866964662 YORHEJYIDILZMG-DNQXCXABSA-N 451.636 6.046 50 10 JKGE CSCC[C@H](NC(=O)CCc1csc(-c2ccccc2)n1)C(=O)Nc1ccc(SC#N)cc1 1867048532 FIFYIVKQZLYKNJ-NRFANRHFSA-N 496.683 5.192 50 10 JKGE CCc1nc(Nc2ccc(SC#N)cc2)cc(N2CC[C@H](O)C[C@H]2c2ccc(OC)c(OC)c2)n1 1868277582 BKJYWZJYWNCJNX-FPOVZHCZSA-N 491.617 5.075 50 10 JKGE COc1cc(/C=C(\C#N)c2nc3ccccc3s2)ccc1OC(=O)c1ccc(Cl)cc1Cl 1872726844 QOXLYIDGPQVQNF-XNTDXEJSSA-N 481.360 6.895 50 10 JKGE N#C/C(=C(/O)c1ccc(Cl)cc1[N+](=O)[O-])c1nc(-c2cccc(Br)c2)cs1 1872747085 MSFGQAGZQWJYHP-VKAVYKQESA-N 462.712 6.084 50 10 JKGE Cc1ccc(-c2csc(/C(C#N)=C(\O)c3ccc4c(c3)C(=O)N(c3ccc(C)cc3C)C4=O)n2)cc1 1872749469 SJKWFDUAUQGGQJ-RWEWTDSWSA-N 491.572 6.486 50 10 JKGE COc1ccc(C(C)(C)C)cc1-c1csc(/C(C#N)=C(\O)[C@H]2CC(=O)N(Cc3ccccc3)C2)n1 1872751549 MWJSEKFVPTXTPS-HMWBEYIWSA-N 487.625 5.958 50 10 JKGE COc1ccc(-c2csc(/C(C#N)=C(\O)c3cc([N+](=O)[O-])cc([N+](=O)[O-])c3C)n2)c(C)c1C 1872754349 OKNFHBIGDYINOF-FXBPSFAMSA-N 466.475 5.510 50 10 JKGE Cc1cc(C)c(-c2csc(/C(C#N)=C(\O)c3ccccc3I)n2)c(C)c1 1872755741 CXVYVGBFXZBHPG-SILNSSARSA-N 472.351 6.290 50 10 JKGE COc1ccc(OC)c(/C=C/C(O)=C(\C#N)c2nc(-c3cc(Cl)cc(C)c3OC)cs2)c1 1872756794 BDSKSTPNNQBGNW-BZCRLGAHSA-N 468.962 6.304 50 10 JKGE COc1ccc(Cl)cc1-c1csc(/C(C#N)=C(\O)[C@@H]2CC(=O)N(Cc3ccccc3)C2)n1 1872758445 AGKMQSBSIKWTNA-LTUQMTLXSA-N 465.962 5.313 50 10 JKGE CCCCOc1c(Br)cc(/C=C(\C#N)c2nc(-c3cccc(OC)c3)cs2)cc1OC 1872781913 VXJFNWGXCQQDPC-VCHYOVAHSA-N 499.430 6.833 50 10 JKGE CCOc1cc(/C=C(\C#N)c2nc(-c3ccc4c(c3)OCCO4)cs2)ccc1OCc1ccccc1 1872791264 BSQPNTCHCWSTED-OEAKJJBVSA-N 496.588 6.623 50 10 JKGE N#C/C(=C(/O)c1ccccc1I)c1nc(-c2ccc(F)cc2F)cs1 1872818363 YVYGMHZQPKTCHE-LGMDPLHJSA-N 466.250 5.643 50 10 JKGE O=S(=O)(c1cc(CBr)n(C2CC2)c1)N(Cc1ccccc1)Cc1ccccc1 1885383269 SCMJVEZSACCGBU-UHFFFAOYSA-N 459.409 5.109 50 10 JKGE ClCC[C@H](COCc1ccccc1)NCc1ccc(Cl)c(I)c1 1902900283 CQXSZENIMZHRBQ-MRXNPFEDSA-N 464.174 5.249 50 10 JKGE O=S(=O)(c1ccc(Br)c(CCl)c1)N(Cc1ccccc1)Cc1cccs1 1914881957 ZYFVKAJRPFPEPY-UHFFFAOYSA-N 470.841 5.641 50 10 JKGE FC(F)(F)c1ccc(N(Cc2ccccc2)[C@H](CBr)C2CC2)c(Br)c1 1915190034 VBHRTHGHAGEHDA-GOSISDBHSA-N 477.162 6.648 50 10 JKGE BrC[C@@H](C1CC1)N(Cc1ccccc1)Cc1ccc(I)cc1 1915196607 CXJPZVHLSQZLSI-IBGZPJMESA-N 470.192 5.467 50 10 JKGE FC1(F)CCC[C@@H]1C[C@@H](Br)c1sc(Br)cc1Br 1922881292 HYXCITKWODDZSY-RNFRBKRXSA-N 452.984 6.535 50 10 JKGE CCCC[C@@H](C)[C@H](Br)c1c(Br)sc(Br)c1Cl 1923068182 OBSZOWSUWSLSJM-SVRRBLITSA-N 453.465 7.189 50 10 JKGE CC1(C)C2CCC1([C@@H](Cl)c1c(Br)sc(Br)c1Br)CC2 1924569943 CARWWRBETPRXCK-YGVRBULQSA-N 491.514 7.532 50 10 JKGE O=C(c1cc(Br)c(Cl)s1)N(Cc1ccccc1)C1(CBr)CCC1 1981402411 WKXGGZDLKOQAIS-UHFFFAOYSA-N 477.649 6.124 50 10 JKGE CN(C)CCCN(Cc1ccccc1)c1cc(Br)cc(F)c1CBr 2004046219 VJBOAJNQDAFJAV-UHFFFAOYSA-N 458.213 5.441 50 10 JKGE FC1(F)CC[C@@H]2[C@H]([C@@H](Br)c3sc(Br)cc3Br)[C@H]21 2004120219 MBIPAKWWAOAHBI-CYAXSCHPSA-N 450.968 6.000 50 10 JKGE ClCc1c(Cl)nc(Cl)n1-c1cc(Br)ccc1I 2006638863 OZOBMWSWVPYXIM-UHFFFAOYSA-N 466.331 5.285 50 10 JKGE COc1sc([C@H](Br)c2ccc(Br)c(F)c2)cc1Br 2034628439 FKGAJUWMCPLMHJ-LLVKDONJSA-N 458.972 5.905 50 10 JKGE FC1(F)[C@@H]2[C@@H]([C@H](Cl)c3c(Br)sc(Br)c3Br)CC[C@H]21 2040540396 FEZVEOQXXXOKSK-MBSOANJMSA-N 485.413 6.607 50 10 JKGE CC1(C)CCN(C(=O)c2csc(Br)c2Br)C[C@@H]1CBr 2093941899 FLFMDMWEBQTMLG-QMMMGPOBSA-N 474.056 5.156 50 10 JKGE Cc1c(Br)sc([C@@H](Br)[C@@H]2CCCC(C)(C)CC2)c1Br 2100837865 GRYXQUGFGNHDST-PWSUYJOCSA-N 473.112 7.624 50 10 JKGE CCc1nc([C@H](Br)c2ccc(OC)c(Br)c2)c(Br)s1 2113181968 BAWPMNFXBJQYBQ-LLVKDONJSA-N 470.024 5.723 50 10 JKGE Cc1c(Br)cccc1C[C@H](CBr)Cc1cccc(Br)c1 2143690654 DUGCJMUGQBFAQU-CQSZACIVSA-N 461.035 6.316 50 10 JKGE Clc1ccc([C@H](Cl)c2csc(Br)c2Br)c2ccccc12 2150341417 CAQIOPKQBASQES-AWEZNQCLSA-N 451.010 7.408 50 10 JKGE FC1(F)CN(Cc2ccccc2)CCCCN(c2ccc(CBr)cc2Cl)C1 2164875943 WUFXYEUDRQDXIS-UHFFFAOYSA-N 457.790 5.973 50 10 JKGE Fc1ccc(I)cc1[C@H](Cl)c1csc2c(Br)cccc12 2169668019 LRTIEVIOQQBGMK-AWEZNQCLSA-N 481.555 6.736 50 10 JKGE FC(F)(C1CCCC1)[C@H](Br)c1cc(I)cc2c1OCC2 2185258313 WQBFYFJFNDAYPA-CQSZACIVSA-N 457.096 5.488 50 10 JKGE COc1cc(C)c([C@@H](Cl)c2c(Br)cccc2Br)cc1Br 2198737304 NWCCZDODXRHOGD-OAHLLOKOSA-N 483.425 6.619 50 10 JKGE Brc1ccccc1[C@H](Br)Cc1ccc(Br)c2nsnc12 2202032470 ZWJSBZQYSRUBNI-GFCCVEGCSA-N 477.019 5.895 50 10 JKGE COc1c(Cl)cc(Br)cc1[C@@H](Br)c1cc(F)cc(Br)c1 2203004384 URHOKWKCVLNAPW-ZDUSSCGKSA-N 487.388 6.497 50 10 JKGE CC(C)(C)OC(=O)N1CCC[C@@](CI)(OCCCCCC2CC2)C1 2216706787 APQKZANXNUSIQE-IBGZPJMESA-N 451.389 5.178 50 10 JKGE Clc1cc(Br)c([C@H](Cl)c2cc(Br)sn2)c(Cl)c1Cl 2217611630 VUGNXSWWEVYAGA-SECBINFHSA-N 470.828 6.957 50 10 JKGE CCOCc1cc(Br)c([C@H](Br)c2coc(Br)c2)s1 2217986908 CKZGUZDCUFWLGQ-LLVKDONJSA-N 458.997 5.887 50 10 JKGE Cc1c(Br)sc([C@H](Cl)c2cc(I)ccc2F)c1C 2218786777 CEOWUASXEGNUAM-LLVKDONJSA-N 459.549 6.199 50 10 JKGE CC(C)(C)OC(=O)NCC[C@H]1CN(CCCCCI)c2ccccc21 2220215389 NHTVCPDQKHSTGM-INIZCTEOSA-N 458.384 5.110 50 10 JKGE Brc1sccc1[C@@H](Br)c1ccc2c(c1Br)CCO2 2222198894 RVKWTHFAUMSLNB-LBPRGKRZSA-N 452.993 5.692 50 10 JKGE CC1(C)CCC[C@@H]([C@@H](Br)c2cc(Br)c(Br)cc2F)CC1 2233974971 HSPMQXLSBAHQJJ-MEBBXXQBSA-N 471.046 7.393 50 10 JKGE CCN(C[C@@](C)(CI)OCCCCCC(C)C)C(=O)OC(C)(C)C 2248812146 PPSTYQFVMHOSKX-LJQANCHMSA-N 455.421 5.670 50 10 JKGE CC[C@@H](Cl)CN(Cc1ccccc1)C(=O)Cc1cc(Br)cc(Br)c1 2252803261 SZNXXJVOFWRNEN-GOSISDBHSA-N 473.636 5.800 50 10 JKGE FC1(F)C[C@@H]([C@@H](Br)c2ccc(Br)cc2Br)C12CCC2 2266142647 MVYDBBMIZJJHNN-JQWIXIFHSA-N 458.966 6.473 50 10 JKGE CCc1sc(Br)cc1[C@@H](Cl)Cc1cc(Br)cc(Br)c1 2277889855 BIGVOVSWNXJSJS-LBPRGKRZSA-N 487.482 7.121 50 10 JKGE COc1cc(C)c(Cl)cc1[C@H](Br)c1cccc(I)c1 2277904827 JUDYWDAKSMFMTN-OAHLLOKOSA-N 451.529 5.746 50 10 JKGE Clc1cccc([C@H](Cl)c2cc3sc(Br)cc3s2)c1Br 2278013435 WEQROYLYKIFFQD-ZDUSSCGKSA-N 457.039 7.469 50 10 JKGE COc1c(Br)cc(Cl)cc1[C@H](Br)c1cc2cscc2s1 2279040625 MIRDZGFQMSPLJE-ZDUSSCGKSA-N 452.620 6.872 50 10 JKGE COc1cc(OC)c([C@@H](Cl)c2cc(Br)sc2Br)cc1Cl 2279139396 LEFFAEDONRTEEV-GFCCVEGCSA-N 461.002 6.272 50 10 JKGE Cc1cc(Br)c([C@H](Cl)c2cc(Br)cc(Br)c2)c(C)c1F 2279155147 AECDSFVWRZCLRS-CQSZACIVSA-N 485.416 7.058 50 10 JKGE Cc1c(CBr)cccc1NS(=O)(=O)c1cc(Cl)c(Br)s1 2283646220 XRGTWKZLWBXOAL-UHFFFAOYSA-N 459.612 5.168 50 10 JKGE Cc1cc(F)cc([C@@H](Br)c2c(F)cc(Br)c(F)c2Br)c1 2288493291 QOFUJYBQSPQDEH-GFCCVEGCSA-N 472.924 6.422 50 10 JKGE CCOc1cccc(NC(=O)C(C#N)=Cc2c(C)n(Cc3ccc(Cl)cc3)c3ccccc23)c1 2294172021 URJUEXMAFHYPGR-UHFFFAOYSA-N 469.972 6.596 50 10 JKGE Cc1cc(Cl)c(Cl)cc1[C@@H](Cl)Cc1cc(Br)cc(Br)c1 2295278372 BBSHEHUNOKWYKI-ZDUSSCGKSA-N 457.420 7.349 50 10 JKGE FC(F)(F)c1ccc([C@@H](Br)Cc2cc(Br)cc(Br)c2)o1 2295330765 ZPFKQPRJIITKHE-JTQLQIEISA-N 476.912 6.502 50 10 JKGE COc1cc2c(cc1NC=C(C#N)c1nc(-c3ccc(C)cc3C)cs1)oc1ccccc12 2295948541 HDMKGGUWAXGMQO-UHFFFAOYSA-N 451.551 7.312 50 10 JKGE Clc1ccc([C@H](Cl)c2sc(Cl)cc2I)c(Br)c1 2300996329 ZYJOZBSQCDQIEZ-JTQLQIEISA-N 482.395 6.750 50 10 JKGE FC1(F)CC2(C[C@H]2[C@H](Br)c2sc(Cl)cc2I)C1 2301081675 RECHJYXAYMQPAI-XNCJUZBTSA-N 453.517 5.878 50 10 JKGE Clc1cc(I)c([C@H](Cl)c2ccc(Br)c(Cl)c2)s1 2301085999 JZDZGOFPLZEFEU-SNVBAGLBSA-N 482.395 6.750 50 10 JKGE COc1cc(C=C(C#N)c2ccccc2)cc(Br)c1OCc1ccccc1Cl 2313521472 QMFFXMHPYXRCLF-UHFFFAOYSA-N 454.751 6.754 50 10 JKGE COc1ccc(C=C(C#N)C(=O)Nc2cc([N+](=O)[O-])ccc2Cl)cc1OCc1ccccc1Cl 2313670751 UEERFJVZSIKCOP-UHFFFAOYSA-N 498.322 6.035 50 10 JKGE Cc1c(Cl)cccc1NC(=O)C(C#N)=Cc1cc(Br)ccc1OCc1cccc(F)c1 2313671120 GSYQFRADIHHIOY-UHFFFAOYSA-N 499.767 6.675 50 10 JKGE Cc1ccc([C@H](Br)c2ccc(OCc3ccccc3)cc2Br)cc1F 2314501294 WDIBZYINTVFXBC-NRFANRHFSA-N 464.172 6.960 50 10 JKGE CC[C@@H](CC(F)(F)F)[C@H](Br)c1ccc(OCc2ccccc2)cc1Br 2314502838 MKMHNCQFVDVZCQ-KSSFIOAISA-N 480.162 7.443 50 10 JKGE CCc1ccc(N2C(=O)[C@H](Cc3ccc(C)cc3)SC2=C(C#N)C(=O)Nc2cccc(C)c2)cc1 2314591868 GLRFDRLWOCCVAT-SANMLTNESA-N 481.621 5.931 50 10 JKGE CCc1ccc(N2C(=O)[C@@H](Cc3ccc(C)cc3)SC2=C(C#N)C(=O)N[C@@H](C)c2ccccc2)cc1 2314593894 VOJUBHIPEBONLQ-KDYSTLNUSA-N 495.648 5.861 50 10 JKGE Clc1cc(I)c([C@@H](Br)[C@H]2CC3(CCCC3)CO2)s1 2316601314 RAWRRLYZMNFFFQ-KOLCDFICSA-N 461.590 5.791 50 10 JKGE Cc1cc(Br)c(F)c(Br)c1[C@@H](Br)CCCC(F)F 2317424006 NUMWQQWVHBEPQU-ZETCQYMHSA-N 452.934 6.531 50 10 JKGE Clc1ccc(CO[C@@H]2CCCCC[C@H]2I)c(I)c1 2317808796 DDJVRWVLIRWJPL-TZMCWYRMSA-N 490.550 5.598 50 10 JKGE BrCCCCCCCOCc1cc(I)ccc1Br 2318983587 YIJDMPNZVAHLEM-UHFFFAOYSA-N 490.017 5.916 50 10 JKGE Brc1cc(OCc2ccccc2)ccc1[C@H](Br)C[C@@H]1CC[C@H]1C1CC1 2319482480 IFOWXGDTADEGIS-HFSMHLIXSA-N 464.241 7.290 50 10 JKGE CC[C@H](NC(=O)C(C#N)=CNCCc1cccc(Br)c1)c1ccc2c(c1)CCCC2 2325092840 YPVUJQLFZZWSTH-DEOSSOPVSA-N 466.423 5.135 50 10 JKGE BrC[C@@H](Cc1ccc(I)c(Br)c1)C1CCOCC1 2325229262 MZRBUXNOMLUQIF-GFCCVEGCSA-N 488.001 5.034 50 10 JKGE COc1cc(C=C(C#N)c2ccc(C(=O)OC(C)C)o2)ccc1OCc1ccc(Cl)c(Cl)c1 2331049682 FMXYBDPTSVPQKG-UHFFFAOYSA-N 486.351 6.803 50 10 JKGE C[C@H](C(O)=C(C#N)c1nc(-c2ccc(C(C)(C)C)cc2)cs1)N1C(=O)c2ccccc2C1=O 2331331528 KEOMOHILMVPHOL-OAHLLOKOSA-N 457.555 5.585 50 10 JKGE COc1c(Cl)cc(-c2csc(C(C#N)=C(O)c3ccc(-n4cccc4)cc3)n2)cc1Cl 2331397531 NCHNHFCZSQYFNJ-UHFFFAOYSA-N 468.365 6.866 50 10 JKGE COc1ccc(-c2csc(C(C#N)=C(O)Cc3ccc(Br)cc3)n2)cc1Cl 2331397898 FKAJOFBLWPGTPD-UHFFFAOYSA-N 461.768 6.270 50 10 JKGE COc1ccc(C(C)(C)C)cc1-c1csc(C(C#N)=Cc2ccc(Cl)c([N+](=O)[O-])c2)n1 2331461043 BZRIHYVGBALSLE-UHFFFAOYSA-N 453.951 6.742 50 10 JKGE CCOc1ccc(OCC)c(-c2csc(C(C#N)=Cc3cc(Cl)c(O)c(OC)c3)n2)c1 2331470731 GMLDNYSTAMQFDJ-UHFFFAOYSA-N 456.951 6.039 50 10 JKGE Fc1cc(F)c([C@@H](Cl)c2ccc(OCc3ccccc3)cc2Br)cc1Cl 2336080928 NXYKWTGNWWYKEW-FQEVSTJZSA-N 458.129 7.288 50 10 JKGE COc1c(Br)cc(C)c([C@H](Cl)c2cscc2Br)c1Br 2339640119 UVQNAUWZPYTGHR-GFCCVEGCSA-N 489.454 6.681 50 10 JKGE CN(Cc1c(Br)cccc1Br)C[C@H](CBr)CC1CC1 2340639575 YWHDADHQIZEOQV-LBPRGKRZSA-N 454.044 5.455 50 10 JKGE Fc1cccc([C@H](Br)CCc2ccc(Cl)cc2I)c1 2341032989 RJASPFDLNGEPAL-CQSZACIVSA-N 453.520 6.153 50 10 JKGE C[C@@H]1C[C@H]2C[C@]([C@@H](Br)Cc3cc(Br)cc(Br)c3)(C2)O1 2342805659 OPBGKQJAWHQNPX-OLJUCXRQSA-N 453.012 5.475 50 10 JKGE COc1cc(Br)c(C)cc1[C@@H](Br)c1csc(C)c1Br 2343562416 NSDVUPSOSFCMMO-CQSZACIVSA-N 469.036 6.383 50 10 JKGE Cc1scc(CN(C)c2ccc(CBr)cc2Br)c1Br 2343639658 WIBXNGPFHUPYKS-UHFFFAOYSA-N 468.052 6.113 50 10 JKGE CCC[C@@H]1CC[C@@H](Cl)[C@H](Cc2ccc(I)c(Br)c2)C1 2349778372 KNYKHVFAFJBOSM-OSAQELSMSA-N 455.605 6.420 50 10 JKGE Fc1ccc([C@@H](CBr)Cc2cc(I)ccc2Cl)cc1 2352429333 GTSKUMQXGAIYAW-GFCCVEGCSA-N 453.520 5.805 50 10 JKGE Cc1cc(Br)c([C@@H](Br)[C@H]2CC[C@@H]3[C@H]2C3(F)F)c(C)c1Br 2358668247 NJVGFROJRNZQQZ-NVVZYBJKSA-N 472.993 6.556 50 10 JKGE FC(F)(F)CCCCCO[C@@H](CI)c1ccccc1Br 2362732198 HCSPOPCRYQGDHA-ZDUSSCGKSA-N 465.091 6.065 50 10 JKGE COc1c(Br)cc(C)c([C@@H](Br)[C@@H]2C[C@H]3CC[C@H]2C3)c1Br 2365187566 BNNFGLLGMNUBLW-DYNIEEOBSA-N 467.039 6.401 50 10 JKGE ClC[C@@]12CCCC[C@@H]1CN(Cc1ccc(I)c(Br)c1)C2 2377312765 AXTDXACQWPLXGZ-CZUORRHYSA-N 468.604 5.285 50 10 JKGE Clc1ccc(I)cc1CN1CC[C@@H]2[C@@H](Br)CCC[C@H]2C1 2380513425 UCFCFBRNFUJPSH-CQDKDKBSSA-N 468.604 5.330 50 10 JKGE Cc1ccc(CBr)c(OCc2ccc(Br)cc2F)c1Br 2380659036 KBEAWBDOQAHYBC-UHFFFAOYSA-N 466.970 6.133 50 10 JKGE Cc1cc(Br)c(C(C)C)cc1[C@@H](Br)c1ccccc1OCc1ccccc1 2380943455 YRDOWJJUTZRXRH-DEOSSOPVSA-N 488.263 7.944 50 10 JKGE COc1cccc(CN(C(=O)CCl)[C@H](C(=O)NC2CCCCC2)c2ccc(Cl)cc2)c1 3035206 BJVVPTPIGVDTQD-QHCPKHFHSA-N 463.405 5.106 50 10 JKGE Cc1cc(/C=C(/C#N)C(=O)Nc2ccc3ccccc3c2)c(C)n1-c1ccc(Cl)c(Cl)c1 33351546 JFOPMAPYKGUZQZ-MTJSOVHGSA-N 460.364 7.100 50 10 JKGE COC(=O)c1cc(Br)ccc1-c1ccc(/C=C(/C#N)c2nc3ccc(C)cc3[nH]2)o1 33467181 MGTHGCDLHPVFLW-UVTDQMKNSA-N 462.303 5.745 50 10 JKGE CC(C)c1ccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4cccc5ccccc45)ccc32)cc1 38649557 PNIKOJJOQYCJPC-NDEPHWFRSA-N 460.533 6.401 50 10 JKGE CCCCOc1ccccc1C(=O)Oc1ccc2c(c1)OC(N)=C(C#N)[C@@H]2c1cccc([N+](=O)[O-])c1 38654212 SNHSELKYMJROIS-RUZDIDTESA-N 485.496 5.211 50 10 JKGE Cc1ccc(OCC(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@@H]3c2ccc(Cl)cc2Cl)cc1C 38655504 UAFOGWBJUJVOIW-RUZDIDTESA-N 495.362 5.813 50 10 JKGE N#CC1=C(N)Oc2cc(OC(=O)c3ccc(Cl)cc3)ccc2[C@@H]1c1cccc(Oc2ccccc2)c1 38660777 BESAFBNQQFAFRJ-MHZLTWQESA-N 494.934 6.570 50 10 JKGE CCCCOc1cccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)Cc4ccccc4)ccc32)c1 38685256 FPSFWURIXKZEJR-MHZLTWQESA-N 454.526 5.232 50 10 JKGE Cc1c(C(=O)Nc2cccc3ccccc23)oc2c1/C(=N/NC(=O)c1ccc(Cl)cc1)CCC2 40811662 XOMLKGBJIWSINP-JBASAIQMSA-N 471.944 6.117 50 10 JKGE Cc1c(C(=O)Oc2ccc(Cl)cc2Cl)oc2c1/C(=N/NC(=O)c1ccccc1F)CCC2 40812497 RZAYIZVIVDENGT-WPWMEQJKSA-N 475.303 5.724 50 10 JKGE Cc1c(C(=O)N2CCCC[C@H]2C)oc2c1/C(=N/NC(=O)c1ccc(Cl)cc1Cl)CCC2 40813654 ZQQBVYXYRWGREV-SNBQNJOHSA-N 462.377 5.380 50 10 JKGE CCOc1c(Br)cc(/C=N/NC(=O)COc2ccc(-c3ccccc3)cc2)cc1OC 40911824 IMBDJNRRDCRRJM-CVKSISIWSA-N 483.362 5.053 50 10 JKGE CCCOc1ccccc1/C=C(\C#N)C(=O)Oc1ccc(C(=O)Nc2ccc(Cl)cc2)cc1 40949062 IFZWVQSDRMUFLS-CAPFRKAQSA-N 460.917 5.894 50 10 JKGE CCOc1c(Br)cc(/C=N/NC(=O)[C@H](C)Oc2ccc(C(C)(C)C)cc2)cc1OC 40961566 LUSBFAFXNCXVKG-CAUYNWHBSA-N 477.399 5.072 50 10 JKGE CCOc1cc(/C=C(\C#N)c2ccc([N+](=O)[O-])cc2)cc(Cl)c1OCc1ccc(F)cc1 59536125 SEIZQLRLNCGJSN-YBFXNURJSA-N 452.869 6.429 50 10 JKGE C[C@@H]1COc2ccc([C@H](Br)c3ccccc3I)cc2OC1 70511240 NQHHYFWWUHBDSM-DIFFPNOSSA-N 459.121 5.183 50 10 JKGE C[C@H](Cl)c1nc2cc(I)ccc2n1Cc1cc(Br)cs1 97355199 ZTMHQMLYCFFKGM-QMMMGPOBSA-N 481.584 5.813 50 10 JKGE Fc1cc2c(cc1Br)nc(CCl)n2-c1cc(Br)ccc1Br 97398851 OTOZUESOXZVRGX-UHFFFAOYSA-N 497.387 6.191 50 10 JKGE COc1ccc(CCN2C(=O)C(C#N)=C(C)/C(=C\c3ccc(-c4ccc(Cl)cc4)o3)C2=O)cc1 101340274 VBJKRNXPYWCSPP-HZHRSRAPSA-N 472.928 5.444 50 10 JKGE CC(C)CC(CBr)(CBr)CCOc1ccc(Br)cc1 118669918 GMBKQAXYRUXBCT-UHFFFAOYSA-N 457.044 6.040 50 10 JKGE Cc1sc(Br)cc1[C@@H](Br)c1c(F)cc(Br)cc1F 122340457 RSZKPISBXLOYOX-GFCCVEGCSA-N 460.963 6.344 50 10 JKGE CCOc1ccc([C@@H](Br)c2ccc(Br)c(C)c2)c(Br)c1 137916392 BXUDZGXBJTUSDC-INIZCTEOSA-N 463.007 6.403 50 10 JKGE Fc1cc([C@H](Br)c2cccc(F)c2Br)c(F)cc1Br 156120190 QDNYFZOYGPHIPQ-GFCCVEGCSA-N 458.897 6.113 50 10 JKGE C[C@@H]1Cc2cc([C@H](Br)c3cc(Br)ccc3Br)ccc2O1 161092517 YRSHKBQZLZRPKA-ABKXIKBNSA-N 460.991 6.019 50 10 JKGE Clc1cc2c(c([C@H](Br)c3cc(Br)ccc3Br)c1)OCC2 161123725 KWYATGFEMGVBRG-CQSZACIVSA-N 481.409 6.284 50 10 JKGE Fc1cccc(Br)c1[C@@H](Br)c1cc2c(cc1Br)OCCO2 161202023 NDFWHTQXLPYZEZ-HNNXBMFYSA-N 480.953 5.606 50 10 JKGE Cc1ccc([C@H](Br)c2cc3[nH]c(=O)[nH]c3cc2Br)c(Br)c1 161442225 PJVYVEHVTHKJPB-AWEZNQCLSA-N 474.978 5.174 50 10 JKGE C=CCOc1ccc(-c2nn(-c3ccccc3)cc2/C=C2\C(=O)N(CCCC)C(=O)C(C#N)=C2C)cc1 214226211 YUIPTUBIUAANFJ-ITYLOYPMSA-N 492.579 5.496 50 10 JKGE N#C/C(=C/Nc1ccc(C(F)(F)F)cc1)C(=O)N1CCN(C(c2ccccc2)c2ccccc2)CC1 216508185 MNMWZPMEDUVOSA-ATJXCDBQSA-N 490.529 5.459 50 10 JKGE Cc1ccc([C@H](Br)c2cc(Br)c(Cl)s2)c(Br)c1 227844783 RMWLBXBHKGOALO-NSHDSACASA-N 459.428 6.719 50 10 JKGE Cc1cc([C@H](Br)c2cc(Cl)ccc2I)cc(C)c1F 235859117 JDAZWFROKWBQAV-AWEZNQCLSA-N 453.520 6.185 50 10 JKGE Cc1cc(Br)c([C@@H](Br)c2scc(C)c2Cl)cc1Br 235947882 WEENKEWJLJYSDX-LLVKDONJSA-N 473.455 7.028 50 10 JKGE Clc1cccc(CBr)c1Oc1ccc(Br)cc1Br 236032027 AQXKNHYDALBWAF-UHFFFAOYSA-N 455.371 6.552 50 10 JKGE Cc1nn(-c2ccccc2)c(N(C2CCCCC2)C2CCCCC2)c1/C=N/NC(=O)C1CCC1 253573963 SANUDXYXQOJKEG-ZTKZIYFRSA-N 461.654 5.903 50 10 JKGE C[C@H](Cl)c1nc2cccnc2n1-c1ccc(Br)c(I)c1 380057269 UBXRSBGXIXPTCP-QMMMGPOBSA-N 462.516 5.087 50 10 JKGE Fc1cc([C@@H](Br)c2ccc(Br)cc2Br)c(F)c(F)c1F 395623160 YHJIBUGKSQWTMZ-JTQLQIEISA-N 476.887 6.252 50 10 JKGE CC(C)(C)[Si](C)(C)OCCN1CCOC[C@@H](c2ccccc2CO[Si](C)(C)C(C)(C)C)C1 616596772 BWAGWIXMOXRTQJ-QHCPKHFHSA-N 479.854 6.646 50 10 JKGE C[C@]12CN(Cc3ccccc3)C[C@]1(C)CN(c1cc(Br)ccc1CBr)C2 706638568 BMQBIENSGPSYNY-FGZHOGPDSA-N 478.272 5.692 50 10 JKGE CC1(C)[C@@H](n2c(CCl)nc3cc(I)c(F)cc32)C[C@H]1OCc1ccccc1 718077614 KUVIHFOMIHVUFX-RBUKOAKNSA-N 498.767 6.075 50 10 JKGE Fc1ccc(C(CBr)(CBr)Cc2sncc2Br)cc1 719881113 XBHHYRDXSWOFCK-UHFFFAOYSA-N 472.015 5.315 50 10 JKGE Cc1sc([C@H](Br)c2cc(F)cc(Br)c2)c(C)c1Br 724926671 AVGKBPJVVWPVRX-GFCCVEGCSA-N 457.000 6.513 50 10 JKGE Cc1sc([C@@H](Br)c2ccc(F)c(Br)c2)c(C)c1Br 724928378 LXQQRKKGVSEFRG-LBPRGKRZSA-N 457.000 6.513 50 10 JKGE N#C/C(=C\c1ccc(OCc2ccccc2F)c(Br)c1)C(=O)NCc1ccccc1 1083965876 RUJPVZZVPSKRPF-UDWIEESQSA-N 465.322 5.391 50 10 JKGE CC(=NNC(=O)[C@@H](C)Sc1ccccc1)c1ccc2c(c1)[C@@H]1C=CC[C@@H]1[C@H](c1ccc(F)cc1)N2 1084516191 IFICDRRDYOYGKS-SDXKGTORSA-N 485.628 6.673 50 10 JKGE Cc1c(C(=O)Nc2cc(Cl)cc(Cl)c2)oc2c1C(=NNC(=O)c1ccc(F)cc1)CCC2 1772745435 ZLNIXSRDAJXFLU-UHFFFAOYSA-N 474.319 5.757 50 10 JKGE CCOc1cc([C@@H]2C(C#N)=C(N)Oc3c2c(-c2ccccc2)nn3Cc2ccc(C)cc2)ccc1O 1865681828 YCAFMWXCDUOPNV-RUZDIDTESA-N 478.552 5.229 50 10 JKGE CCc1nn(-c2cccc3ccccc23)c2c1[C@H](c1ccc(Cl)c(Cl)c1)C(C#N)=C(N)O2 1865685336 HDZOOXJFDGPUPF-JOCHJYFZSA-N 461.352 6.113 50 10 JKGE N#CC1=C(N)Oc2c(c(C(F)(F)F)nn2-c2ccc(Cl)cc2)[C@H]1c1cc(Cl)ccc1O 1865689120 KJUXMRULAGLASQ-HNNXBMFYSA-N 467.234 5.122 50 10 JKGE CCCOc1c(OC)cccc1[C@H]1C(C#N)=C(N)Oc2c1c(CCC)nn2-c1cccc(Cl)c1 1865694262 WGZCVOSDDLZRIM-QFIPXVFZSA-N 478.980 5.494 50 10 JKGE COc1cc([C@@H]2C(C#N)=C(N)Oc3c2c(C)nn3-c2ccccc2)ccc1OCc1ccc(Cl)cc1 1865700714 BSISAGWHOHXKQW-AREMUKBSSA-N 498.970 5.640 50 10 JKGE Cc1nc(-c2ccc(Cl)cc2)ccc1C(=O)NNC(=O)[C@H](C)Oc1ccc(C(C)C)cc1 1865755595 HJGUCFODNQECQO-KRWDZBQOSA-N 451.954 5.062 50 10 JKGE CC[C@](C)(NC(=O)CCc1csc(-c2ccccc2)n1)C(=O)Nc1ccc(SC#N)cc1 1867048736 KQWGKUMHUCDASK-DEOSSOPVSA-N 464.616 5.239 50 10 JKGE Cc1nc(Nc2ccc(SC#N)cc2)cc(N2CCC(C(=O)c3c[nH]c4ccccc34)CC2)n1 1868480181 IAPMNSHIMOXLRL-UHFFFAOYSA-N 468.586 5.682 50 10 JKGE CCCCc1ccc(-c2csc(/C(C#N)=C(\O)[C@H]3CC(=O)N(c4c(CC)cccc4CC)C3)n2)cc1 1872744711 FGOVKWMIPZAQPV-MSJKFPMMSA-N 499.680 7.123 50 10 JKGE Cc1nc2ccc(/C(O)=C(\C#N)c3nc(-c4cccc(Br)c4)cs3)cc2nc1C 1872745891 IHSKDDBVPUDFSF-FXBPSFAMSA-N 463.360 6.083 50 10 JKGE N#C/C(=C(/O)CCCOc1ccc(Cl)cc1)c1nc(-c2ccc(Br)cc2)cs1 1872746604 POJIUYUYTCCYSL-ZZEZOPTASA-N 475.795 6.878 50 10 JKGE CC[C@@H](C)N1C(=O)c2ccc(/C(O)=C(\C#N)c3nc(-c4ccc(OC)c(C)c4C)cs3)cc2C1=O 1872753621 GNAZUKRZQDUXFA-YXHKKPSTSA-N 487.581 5.780 50 10 JKGE CCOc1ccc(OCC)c(-c2csc(/C(C#N)=C(\O)c3cc([N+](=O)[O-])cc([N+](=O)[O-])c3C)n2)c1 1872754747 GXDGQNMOLWKBPG-PYCFMQQDSA-N 496.501 5.682 50 10 JKGE CCCOc1ccc(-c2csc(/C(C#N)=C(\O)[C@H]3CC(=O)N(C(C)(C)C)C3)n2)cc1OCCC 1872817861 AOAASCZENXGIPD-LNUHTHKGSA-N 483.634 5.827 50 10 JKGE C[C@@H](CCl)N(Cc1ccccc1)Cc1ccc(I)c(Br)c1 1893241445 JZKQTIYMTCJLPE-ZDUSSCGKSA-N 478.599 5.683 50 10 JKGE BrC[C@H]1CC2(CCCC2)CN1Cc1c(Br)cccc1Br 1912783133 FOYFYJDWCZUWHD-GFCCVEGCSA-N 466.055 5.741 50 10 JKGE Cc1nsc(Br)c1[C@H](Br)c1cc(Cl)c(Cl)c(Cl)c1Cl 1912932372 NDTQLXOAGCSRGV-SSDOTTSWSA-N 484.855 7.312 50 10 JKGE COc1cc(Br)c(C)cc1[C@@H](Br)c1c(C)nsc1Br 1912942625 OZRHPDSYFHCGSH-GFCCVEGCSA-N 470.024 5.778 50 10 JKGE C[C@@H](CCBr)N(Cc1ccccc1)Cc1cccc(Br)c1Br 1915090156 IGFQQWZHLBHDNQ-AWEZNQCLSA-N 490.077 6.387 50 10 JKGE O=C(NC[C@H]1CC[C@H](CBr)CC1)c1scc(Br)c1Br 1922686535 MKJYUQZPADIMSO-KYZUINATSA-N 474.056 5.204 50 10 JKGE COc1ccc([C@H](Br)c2sc(Br)c(C)c2Br)c(OC)c1 1922888367 ZFMRFEKEQYKRMR-LBPRGKRZSA-N 485.035 6.083 50 10 JKGE Cl[C@@H](c1cscc1Br)c1sc(Br)cc1Br 1922891639 MPYYFOPZVIUWBS-QMMMGPOBSA-N 451.430 6.425 50 10 JKGE Cc1cc(Br)c([C@@H](Cl)c2sc(Br)cc2Br)cc1Cl 1922954453 OICGQXQBALEVPJ-LLVKDONJSA-N 493.873 7.326 50 10 JKGE Cc1cc(F)cc([C@@H](Br)c2c(Br)sc(Br)c2Cl)c1 1923038968 MBSKDCZOOVYYIN-SECBINFHSA-N 477.418 6.858 50 10 JKGE C[C@H]([C@H](Br)c1c(Br)sc(Br)c1Cl)C(C)(F)F 1923068723 VQGZERXFNQBLKA-WUJLRWPWSA-N 461.391 6.654 50 10 JKGE C[C@@H](C1CC1)[C@@H](Br)c1c(Br)sc(Br)c1Br 1924576259 LYAAHSXOEIXBJC-MHTLYPKNSA-N 481.873 6.518 50 10 JKGE C[C@@H]1CO[C@@H]([C@@H](Br)c2c(Br)sc(Br)c2Br)C1 1924613212 HKBVNTMVBFWPPF-HBPOCXIASA-N 497.872 5.897 50 10 JKGE COC1(C[C@H](Cl)c2c(Br)sc(Br)c2Br)CC1 1924617170 YNSGYHJWEBSOCZ-YFKPBYRVSA-N 453.421 5.885 50 10 JKGE Brc1cc([C@@H](Br)c2csnc2Br)sc1Br 1925226146 QGRCSYQUGZWMDF-LURJTMIESA-N 496.869 5.976 50 10 JKGE FC(F)(F)c1ccc([C@H](Br)c2c(Cl)sc(Br)c2Cl)cc1 1925597042 ARGYGGNATGMNMM-QMMMGPOBSA-N 468.947 7.321 50 10 JKGE CC1(C)CC(C[C@H](Br)c2c(Br)sc(Br)c2Cl)C1 1949734020 NCCODSKMCWJOEM-ZETCQYMHSA-N 465.476 7.189 50 10 JKGE C[C@@H](c1ccncc1Br)[C@H](Br)c1cc(I)sn1 2007644721 QMNYACUZVYTYEF-KGFZYKRKSA-N 487.986 5.145 50 10 JKGE COc1ccc(C(=O)Oc2ccc(C=C(C#N)c3nc(-c4ccc(C)cc4)no3)cc2OC)cc1OC 2040448457 SSLVEKFTQSOJAG-UHFFFAOYSA-N 497.507 5.354 50 10 JKGE Cc1c(Br)sc([C@H](Cl)c2nn(C)c(Cl)c2Br)c1Br 2048154808 FYEWXOKCFQHQMO-ZCFIWIBFSA-N 497.865 6.059 50 10 JKGE FC(F)(F)C1([C@@H](Br)c2cc(Br)sc2Br)CCCC1 2052992896 IQORNVZQAMAUNK-QMMMGPOBSA-N 470.974 6.832 50 10 JKGE CC(C)(C)OC(=O)N1C[C@](C)(CO[Si](C)(C)C(C)(C)C)c2cc(Br)cc(C#N)c21 2069448875 QEKZXZJSHYHPBT-JOCHJYFZSA-N 481.507 6.355 50 10 JKGE BrCc1cc(C2CCCCC2)nn1Cc1ccccc1I 2070039264 OWUGWHDMUNMCJZ-UHFFFAOYSA-N 459.169 5.479 50 10 JKGE FC(F)(F)c1ccc(Cn2nc(CBr)c3c2C[C@@H]2C[C@H]32)c(Br)c1 2080759785 CMWBVGWPQJJHQJ-ONGXEEELSA-N 450.096 5.267 50 10 JKGE Cc1sc(Br)c([C@@H](Br)c2ccc(Br)cc2F)c1C 2082882907 CGCYLWJQHLSAIW-LBPRGKRZSA-N 457.000 6.513 50 10 JKGE Clc1ccc(Br)c([C@H](Cl)c2ccc(Br)cc2Br)c1 2083329232 BCXPZPXAQSMJHP-CYBMUJFWSA-N 473.817 6.956 50 10 JKGE Cc1cc(Br)c2c(c1Br)[C@H](Br)C[C@@H](C(F)(F)F)CC2 2090245987 ZDQAAIZYAQOWLY-OIBJUYFYSA-N 464.945 6.471 50 10 JKGE Cc1cc(F)c([C@H](Br)c2cccc(Br)c2Br)cc1F 2092328457 LPKCTZHVESOQOA-CYBMUJFWSA-N 454.934 6.283 50 10 JKGE CC1(C)CCC[C@H]([C@@H](Br)c2cc(Br)ccc2Br)CC1 2100847481 FNMRBXAWLHZVTI-XHDPSFHLSA-N 453.056 7.254 50 10 JKGE BrCc1cc(Br)c(OCC23CCC(CC2)C3)c(Br)c1 2128539410 UWAVGVNWUQOHAP-UHFFFAOYSA-N 453.012 6.066 50 10 JKGE Cc1cc(Br)c(CBr)c(N2C[C@](C)(Br)[C@](C)(F)C2)c1 2140741851 MQVPBZFKRWPUFG-UONOGXRCSA-N 458.007 5.354 50 10 JKGE Clc1c(Br)sc(Br)c1[C@@H](Br)C1C[C@H]2COC[C@H](C1)C2 2141798360 OHBLVLFSDFNGBE-BYULHYEWSA-N 493.486 6.425 50 10 JKGE Fc1ccc(Br)c([C@H](Br)c2cc(Br)c3c(c2)CCO3)c1 2146625618 BBLVQGNWIXJGTR-CQSZACIVSA-N 464.954 5.770 50 10 JKGE C[C@H]1C[C@H](n2c(CCCl)nc3cc(Br)c(Cl)cc32)CN1Cc1ccccc1 2159885949 ONNZTLIPSKAUIZ-HOCLYGCPSA-N 467.238 6.069 50 10 JKGE CC(C)(C)OC(=O)N1CCN(CC2(CBr)CCCCCC2)C[C@H]1CC(F)F 2177313321 WZPFQWLZBFXNKO-MRXNPFEDSA-N 453.412 5.298 50 10 JKGE Cc1cc(Br)c(C)c([C@H](Br)C(C)(C)CC(F)(F)F)c1Br 2201065023 MNISOMUTDVJRIK-LBPRGKRZSA-N 480.988 7.243 50 10 JKGE Fc1cc(Br)c([C@@H](Br)c2ccc(Cl)c(Cl)c2)c(F)c1Cl 2201620305 ZVSUMFWZJDSWGE-NSHDSACASA-N 465.346 7.172 50 10 JKGE CCc1cc(Br)c([C@@H](Br)c2sc(C)c(C)c2Br)s1 2221822303 AKXKICHWZNCUPD-LLVKDONJSA-N 473.093 6.998 50 10 JKGE Cc1nn(C)c([C@H](Br)c2cc(Br)ccc2Br)c1Cl 2224018541 MSOXWKXHNOJRTO-SNVBAGLBSA-N 457.391 5.391 50 10 JKGE Cc1ccc([C@H](Cl)c2cc(Br)c(Cl)cc2F)cc1I 2224630565 ULMXTESFGKIPEN-AWEZNQCLSA-N 473.938 6.483 50 10 JKGE Fc1cc(Br)c(Br)cc1[C@H](Br)[C@@H]1CC12CCCCC2 2225615250 FHLCTOPWBSDLPQ-HZMBPMFUSA-N 455.003 6.757 50 10 JKGE Cc1cc(Br)c([C@H](Br)c2c(C)sc(Br)c2C)cc1Cl 2225862528 BEMOYPVPSAQBPH-ZDUSSCGKSA-N 487.482 7.336 50 10 JKGE BrCC(CBr)(Cc1ccccc1)Cc1ncsc1Br 2226134734 RUXKKDJMJWHWKR-UHFFFAOYSA-N 468.052 5.467 50 10 JKGE Cc1cc(Br)c([C@@H](Br)[C@@H]2C[C@H]3CC[C@H]2O3)c(C)c1Br 2227353034 FAGKEUUPFMLRGS-NOBRSGAKSA-N 453.012 5.832 50 10 JKGE Cc1cc(Br)c([C@@H](Br)[C@H]2CCCCC2(C)C)c(C)c1Br 2235605089 QIDSEIHBWXBKDX-WBMJQRKESA-N 467.083 7.481 50 10 JKGE Cc1cc(Br)c([C@@H](Br)C2CCC3(CC2)CC3)c(C)c1Br 2235611383 JSDKXNFFKBZHPH-INIZCTEOSA-N 465.067 7.235 50 10 JKGE Fc1ccc2nc(CCl)n(-c3ccc(Br)cc3I)c2c1 2240010053 FWWOWYLNJNJIBY-UHFFFAOYSA-N 465.491 5.271 50 10 JKGE CCN(C[C@](C)(CI)OCC12CC3CC(CC(C3)C1)C2)C(=O)OC(C)(C)C 2240698541 MRJNLPXYSXSJGK-UTANWOJPSA-N 491.454 5.670 50 10 JKGE Cc1cc(Br)c([C@H](Br)c2cocc2Br)cc1Br 2249414131 PXRJMAVQEWTOKY-LBPRGKRZSA-N 487.811 6.360 50 10 JKGE Cc1c(Br)cccc1COC1(CBr)CCN(C(=O)OC(C)(C)C)CC1 2256400908 XIXWLZMNELSFHK-UHFFFAOYSA-N 477.237 5.439 50 10 JKGE Cc1c(Br)sc([C@H](Br)[C@H]2COC3(CCC3)C2)c1Br 2257144304 NIBOKPXFTRYXMB-PSASIEDQSA-N 459.041 5.977 50 10 JKGE Brc1cc2sc([C@@H](Br)c3ccccc3Br)cc2s1 2263564527 WKJJCEOHUKZCNN-ZDUSSCGKSA-N 467.045 6.972 50 10 JKGE CCc1sc(Br)cc1[C@H](Br)c1cc(F)c(Br)cc1F 2267243313 UXXWZEXFDPZMCA-CYBMUJFWSA-N 474.990 6.598 50 10 JKGE Brc1ccc(OCc2ccccc2)c([C@H](Br)[C@@H]2C[C@@H]2C2CCC2)c1 2299499766 ZWLLRAOFZQYSEY-DBXWQHBBSA-N 450.214 6.900 50 10 JKGE C#CCOc1ccc(C=C(C#N)C(=O)Nc2cccc(Cl)c2Cl)cc1I 2313571160 OTDOVGFHKOTEPK-UHFFFAOYSA-N 497.119 5.156 50 10 JKGE Cc1nn(C)c([C@H](Cl)c2ccc(OCc3ccccc3)cc2Br)c1Br 2314442594 CCIGRRJGFPBOHG-GOSISDBHSA-N 484.619 6.161 50 10 JKGE Cc1c(Cl)sc(Cl)c1[C@@H](Cl)c1cc(I)ccc1Br 2314511932 KCJVEYWKMYHTNY-JTQLQIEISA-N 496.422 7.059 50 10 JKGE CC1=C(C#N)C(=O)N([C@H](C)c2ccccc2)C(=O)C1=Cc1ccc(-c2ccc(Cl)cc2Cl)o1 2314617815 BJLLYEMZYDPKCL-MRXNPFEDSA-N 477.347 6.607 50 10 JKGE CC(C)C1([C@@H](Br)c2c(Cl)cc(Br)c(F)c2Br)CC1 2315440120 OPWFWSYWZFDEJM-LBPRGKRZSA-N 463.410 6.876 50 10 JKGE CCC[C@@H]1C[C@@H]1[C@@H](Br)c1c(Cl)cc(Br)c(F)c1Br 2315447846 SPHXJHFHLNLGCG-PTZCXBDSSA-N 463.410 6.876 50 10 JKGE Cc1sc([C@@H](Br)c2c(Br)nc(C)n2C)c(C)c1Br 2315597592 HGTHYZXWHWOUNL-VIFPVBQESA-N 457.029 5.416 50 10 JKGE FC1(F)CCC[C@@H]2[C@@H]([C@H](Br)c3cc(Br)ccc3Br)[C@@H]21 2330157705 LJGBAUGTHIGDLI-HUXSOILUSA-N 458.966 6.329 50 10 JKGE CC(=Cc1ccccc1)C(=O)N[C@@H](Cc1ccc(F)cc1)C(=O)Nc1ccc(SC#N)cc1 2330429228 CXXBAPODHCTYOR-DEOSSOPVSA-N 459.546 5.168 50 10 JKGE CCCCCCOc1ccc(C(O)=C(C#N)c2nc(-c3ccc4c(c3)CCCC4)cs2)cc1 2331240046 KEKXICHBZOHEBJ-UHFFFAOYSA-N 458.627 7.598 50 10 JKGE COc1cc(C=CC(O)=C(C#N)c2nc(C(C)C)cs2)ccc1OCc1ccc(Cl)cc1 2331328847 UGBDWFJPFPKDLY-UHFFFAOYSA-N 466.990 7.014 50 10 JKGE N#CC(=C(O)CNC(=O)c1ccc(Cl)cc1Cl)c1nc(-c2ccc3c(c2)OCO3)cs1 2331333926 NZXMCURGNKGUNB-UHFFFAOYSA-N 474.325 5.068 50 10 JKGE CCOc1ccc(OCC)c(-c2csc(C(C#N)=C(O)CCc3ccc(OCC)c(OC)c3)n2)c1 2331376720 LZWBSWZFHQUVRN-UHFFFAOYSA-N 494.613 6.440 50 10 JKGE COc1ccc(-c2csc(C(C#N)=C(O)C(=Cc3ccccc3)c3ccccc3)n2)c(OC)c1 2331385442 DMYVEESKBDNMAM-UHFFFAOYSA-N 466.562 6.861 50 10 JKGE CCOc1cc(C=C(C#N)c2nc(-c3cc(C)ccc3C)cs2)ccc1OCc1ccc(C)cc1 2331445527 HYDYUTISIHVZLE-UHFFFAOYSA-N 480.633 7.777 50 10 JKGE COc1ccc(-c2csc(C(C#N)=Cc3ccc(OCc4ccc(C)cc4)c(OC)c3)n2)c(OC)c1 2331473094 DWXCBBCLUICPAQ-UHFFFAOYSA-N 498.604 6.788 50 10 JKGE Cc1ccc(C[C@H](Br)c2cc(Br)ccc2OCc2ccccc2)cc1C 2336074436 GDOCZTOXXOKAJH-QFIPXVFZSA-N 474.236 7.324 50 10 JKGE Fc1c(Br)cc(Cl)c([C@H](Br)[C@@H]2CCC3(CC3)C2)c1Br 2337094618 RBNGKVZPHUTBRS-RDDDGLTNSA-N 475.421 7.020 50 10 JKGE CC(C)Cc1ccc([C@H](Br)c2c(Br)c(Br)nn2C)s1 2338719572 JBRLJFZQJLIUCV-JTQLQIEISA-N 471.056 5.689 50 10 JKGE COc1c(Br)cc(C)c([C@@H](Cl)c2cocc2Br)c1Br 2339650329 FBQYTGBZHBKSCS-LBPRGKRZSA-N 473.386 6.212 50 10 JKGE Cc1cc(Br)c(F)c(Br)c1[C@H](Br)[C@@H]1C[C@@]12CC2(F)F 2339687655 YEMSKHVNNAHFLN-PNLAZUSQSA-N 462.929 6.140 50 10 JKGE Clc1cccc([C@H](Br)CCc2ccc(Cl)cc2I)c1 2341060866 ZWPQPUOIRJMAAQ-CQSZACIVSA-N 469.975 6.667 50 10 JKGE Fc1cc(CCl)cc(OCc2cc(I)ccc2Br)c1 2341780892 RSZCFXOXJFGICA-UHFFFAOYSA-N 455.492 5.511 50 10 JKGE Clc1ccc([C@@H](CBr)Cc2cc(I)ccc2Cl)cc1 2352429174 DQRARKZFZPKFQW-GFCCVEGCSA-N 469.975 6.319 50 10 JKGE COc1cc(COc2ccc(Br)c(CBr)c2)c(Br)cn1 2362088563 RNPWABTXQWXYFM-UHFFFAOYSA-N 465.967 5.089 50 10 JKGE Cc1ccc([C@@H](Br)c2c(Cl)cc(Br)c(F)c2Br)cc1F 2362222045 GSNYYTNCPHKFOJ-GFCCVEGCSA-N 489.379 6.936 50 10 JKGE Fc1c(Br)cc(Cl)c([C@@H](Br)[C@H]2CC3CCC2CC3)c1Br 2362229635 LAFHMWIFYWFKOH-NQPVGWQBSA-N 489.448 7.266 50 10 JKGE CCCC(CCC)[C@@H](Br)c1c(C)cc(Br)c(OC)c1Br 2365187949 GBOVQTWZDVQIBD-CQSZACIVSA-N 471.071 7.181 50 10 JKGE CC(C)(C)[C@@H]1CC[C@H]1COc1c(Br)cc(Br)cc1CBr 2369276684 FPCUJMQYKJWJMU-GXFFZTMASA-N 469.055 6.558 50 10 JKGE CC(C)(C)Oc1ccc([C@H](Br)c2cocc2Br)cc1Br 2381302801 HNQJUHROKUURAY-AWEZNQCLSA-N 466.995 6.466 50 10 JKGE N#C/C(=C/c1cccc([N+](=O)[O-])c1)C(=O)Nc1ncc(Cc2ccc(Cl)cc2Cl)s1 954268 YKCIZAZPWOWIDC-NSIKDUERSA-N 459.314 5.495 50 10 JKGE COc1ccc([C@H]2C(C#N)=C3N=C(N)c4ccccc4N3C3=C2C(=O)C[C@@H](c2ccccc2)C3)cc1 3654377 TZPBTYBMBLUITM-DCFHFQCYSA-N 472.548 5.154 50 10 JKGE Cc1cc(Br)cc(Br)c1OCC(=O)N/N=C/c1ccc(C(C)C)cc1 12482989 LYWQWNVHNCQKMT-LSHDLFTRSA-N 468.189 5.173 50 10 JKGE COc1cc(/C=C(/C#N)c2cccc(Cl)c2)ccc1OC(=O)c1ccccc1Br 31902346 RTSRTEXWYLILOE-BOPFTXTBSA-N 468.734 6.394 50 10 JKGE CC1=C(C#N)C(=O)N(C)C(=O)/C1=C/c1cn(-c2ccccc2)nc1-c1ccc(OCC(C)C)c(C)c1 38602893 ABRFRQBBJMBKQH-ZVHZXABRSA-N 480.568 5.105 50 10 JKGE Cc1cc(Cl)ccc1OCC(=O)Oc1ccc2c(c1)OC(N)=C(C#N)[C@H]2c1ccc(Cl)cc1 38651402 GSXXPBCWOCMIPY-DEOSSOPVSA-N 481.335 5.504 50 10 JKGE CCc1ccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)C(c4ccccc4)c4ccccc4)ccc32)cc1 38677636 HLOIGPACWVOGGX-SSEXGKCCSA-N 486.571 6.205 50 10 JKGE CCCCCOc1ccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4ccccc4OCC)ccc32)cc1 38685520 IDZHITQGDYAGSY-MUUNZHRXSA-N 498.579 6.092 50 10 JKGE N#C/C(=C\c1ccc(-c2ccc([N+](=O)[O-])cc2)o1)C(=O)Nc1cc(C(F)(F)F)cc(C(F)(F)F)c1 39884894 QQQKGIKPDYTWTJ-NTUHNPAUSA-N 495.335 6.438 50 10 JKGE C=CCOc1cccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)Cc4cccc5ccccc45)ccc32)c1 40529881 NCRSSJMZJXOEQZ-PMERELPUSA-N 488.543 5.771 50 10 JKGE Cc1ccc2cccc(Oc3ncnc(NNC(=O)c4ccc(Cl)cc4Cl)c3[N+](=O)[O-])c2n1 40618664 QSRVVBDWTACGOQ-UHFFFAOYSA-N 485.287 5.097 50 10 JKGE Cc1ccc(Nc2ncnc(NNC(=O)C(c3ccccc3)c3ccccc3)c2N)cc1Cl 40703799 YCBIUPBDNUEIOV-UHFFFAOYSA-N 458.953 5.039 50 10 JKGE Cc1c(C(=O)Nc2ccccn2)oc2c1/C(=N/NC(=O)c1ccc(-c3ccccc3)cc1)CCC2 40822799 QVBNZLLSCUKRDA-DFKUXCBWSA-N 464.525 5.373 50 10 JKGE COc1cc(/C=C(\C#N)c2ccc(Cl)cc2)ccc1OC(=O)C(c1ccccc1)c1ccccc1 40847901 YGDOBQHFONCHDN-XIEYBQDHSA-N 479.963 7.150 50 10 JKGE O=C(Nc1ccccc1)Nc1snnc1C(=O)N/N=C/c1c2ccccc2cc2ccccc12 48533365 FSURZPGMHJETRH-CVKSISIWSA-N 466.526 5.252 50 10 JKGE N#C/C(=C/c1cc(Cl)ccc1OCc1ccc(Cl)cc1)C(=O)Nc1cccc([N+](=O)[O-])c1 59266306 WKEVTJCTHMNGNM-YVLHZVERSA-N 468.296 6.026 50 10 JKGE COc1ccc(NC(=O)N/N=C/c2cc(Br)c(Sc3ccc(Cl)cc3)o2)cc1 59303167 PJQZXNVHMILLAF-SSDVNMTOSA-N 480.771 6.011 50 10 JKGE CCOC(=O)/C(C#N)=C/c1cc(Br)c(OCc2ccc(Cl)cc2)c(OC)c1 59485101 AYWLUMSNDYUNFQ-OVCLIPMQSA-N 450.716 5.160 50 10 JKGE COC(=O)c1ccc(-n2c(C)cc(/C=C(/C#N)C(=O)c3cc(C)n(C4CCCC4)c3C)c2C)cc1 96401684 POQYDNNXYWDJQV-JLPGSUDCSA-N 469.585 6.204 50 10 JKGE C=CCOc1ccc(-c2nn(-c3ccccc3)cc2/C=C(/C#N)C(=O)NC2CCCCC2)cc1 102859219 KGJUJUCZVVFHLG-PYCFMQQDSA-N 452.558 5.460 50 10 JKGE N#C/C(=C\c1c(OCc2ccccc2Cl)ccc2ccccc12)C(=O)Nc1ccc(F)cc1 108471939 GCRQOONJCWTBOT-HMMYKYKNSA-N 456.904 6.757 50 10 JKGE COc1c(C)cc(Br)c(C)c1[C@@H](Br)c1cc(C)c(Br)s1 125694855 PQKYQCRGECOOEC-ZDUSSCGKSA-N 483.063 6.691 50 10 JKGE COc1c(C)cc(Br)c(C)c1[C@H](Br)Cc1ccc(Br)cc1 125741299 BXLJCZBRLJFDTP-OAHLLOKOSA-N 477.034 6.516 50 10 JKGE Cc1ccc2ccccc2c1-c1c(P(c2ccccc2)c2ccccc2)ccc2ccccc12 149109102 ZBIBHTIPNJBQML-UHFFFAOYSA-N 452.537 7.727 50 10 JKGE CCOc1cc(Cl)c([C@H](Br)Cc2cccc(Br)c2)cc1Cl 164580495 YMVFMLMFTVRVCG-CYBMUJFWSA-N 453.001 6.833 50 10 JKGE CC[C@H](NC(=O)/C(C#N)=C\NCCc1cccc(Br)c1)c1ccc2c(c1)CCCC2 217193657 YPVUJQLFZZWSTH-JFARUEAUSA-N 466.423 5.135 50 10 JKGE CC(C)(C)C[C@H](Br)CNC(=O)c1cc(Br)c(Br)s1 226231313 VCTAFTUUMVKWQR-ZETCQYMHSA-N 462.045 5.203 50 10 JKGE O=[N+]([O-])c1cccc(Br)c1Oc1ccc(Br)cc1CBr 232479185 MYZJCLIRELZJRK-UHFFFAOYSA-N 465.923 5.807 50 10 JKGE COCCc1ccc([C@@H](Br)c2cc(Br)cc(Br)c2)cc1 234694587 LGHIVLXDEVDNJQ-MRXNPFEDSA-N 463.007 5.885 50 10 JKGE CCCCCCCCOc1ccc(-c2cc(C(=O)NN=C/C(Cl)=C/c3ccccc3)[nH]n2)cc1 254408264 GVRLADFGNUCRHX-JADPENNQSA-N 479.024 6.812 50 10 JKGE CC(=NNC(=O)c1ccc(C(=O)NN=C(C)c2ccc3ccccc3c2)cc1)c1ccc2ccccc2c1 263632609 XIFUCMWXSKOHBE-UHFFFAOYSA-N 498.586 6.301 50 10 JKGE C[C@@H]1C[C@@H](n2c(CCl)nc3cc(Br)c(F)cc32)CCN1Cc1ccccc1 379602109 CQIIFZSEHGBNKU-ZBFHGGJFSA-N 450.783 5.902 50 10 JKGE Clc1ccc(C(CBr)(CBr)Cc2coc(Br)c2)cc1 380917438 RCZCJEUFCLCDMA-UHFFFAOYSA-N 471.414 5.966 50 10 JKGE COc1cc(OC)cc(C(=O)NN=Cc2cn(-c3ccccc3)nc2C23CC4CC(CC(C4)C2)C3)c1 1083847791 GAOKSENNZGPRRK-UHFFFAOYSA-N 484.600 5.121 50 10 JKGE CCOc1cc(C=NNC(=O)c2ccc(OC)c(OC)c2)ccc1OCc1cccc2ccccc12 1083944847 HONTUFFAJGTXFT-UHFFFAOYSA-N 484.552 5.599 50 10 JKGE C=CCc1cc(/C=C(\C#N)C(=O)Nc2ccc(C)cc2)cc(OCC)c1OCc1ccccc1Cl 1084070880 SXCYNTUTEJKFJU-LFVJCYFKSA-N 486.999 6.900 50 10 JKGE CCOc1cc(/C=C(/C#N)C(=O)Nc2cc(C)ccc2C)ccc1OCc1ccc(Cl)c(Cl)c1 1084129796 HAQRRAIHZFUGKW-MTJSOVHGSA-N 495.406 7.134 50 10 JKGE COc1ccc(C=NNC(=O)c2ccc(CSc3ccc(Cl)cc3)cc2)cc1[N+](=O)[O-] 1084133283 KYRSSOLBFLRTOO-UHFFFAOYSA-N 455.923 5.313 50 10 JKGE C[C@H](Sc1ccc(Cl)cc1)C(=O)NN=Cc1ccc(OCc2ccc(Cl)cc2)cc1 1084313454 WVMICBLVYWSRBX-INIZCTEOSA-N 459.398 6.203 50 10 JKGE CC(=NNC(=O)c1ccc(NC(=O)c2cccc(C)c2)cc1)C(c1ccccc1)c1ccccc1 1084404298 RYNZCXQOZHGVQN-UHFFFAOYSA-N 461.565 6.185 50 10 JKGE CCOc1cc(C=NNC(=O)c2ccc(F)cc2)ccc1Oc1ccc(C(F)(F)F)cc1[N+](=O)[O-] 1084630170 SECWSNYWWMQFOM-UHFFFAOYSA-N 491.397 5.708 50 10 JKGE Cc1ccc(Cn2nc(C(F)(F)F)c3c2OC(N)=C(C#N)[C@@H]3c2cccc(Br)c2)cc1 1865684396 PSINWNLXMGHQEF-KRWDZBQOSA-N 489.295 5.239 50 10 JKGE Cc1nn(Cc2ccc(Cl)c(Cl)c2)c2c1[C@@H](c1cc(Cl)ccc1O)C(C#N)=C(N)O2 1865690030 ZKXIBKFTTQWFKW-IBGZPJMESA-N 461.736 5.124 50 10 JKGE CC(C)Oc1ccccc1[C@@H]1C(C#N)=C(N)Oc2c1c(-c1ccccc1)nn2-c1cccc2ccccc12 1865705162 NTGLKNUYJGOECP-MUUNZHRXSA-N 498.586 6.698 50 10 JKGE Cc1nn(Cc2ccc(Cl)c(Cl)c2)c2c1[C@H](c1ccc(Br)cc1)C(C#N)=C(N)O2 1865714381 ISBUVDSUYXREQW-LJQANCHMSA-N 490.188 5.527 50 10 JKGE CC(C)[C@@H](CC(=O)N[C@H](C(=O)Nc1ccc(SC#N)cc1)c1ccccc1)c1ccc(F)cc1 1866749250 RGZURGOXBCJSAD-RSXGOPAZSA-N 475.589 6.025 50 10 JKGE CCC[C@H](NC(=O)[C@H](c1ccc(Cl)c(Cl)c1)C(C)C)C(=O)Nc1ccc(SC#N)cc1 1866991500 NHJAOUBGBZANIT-SFTDATJTSA-N 478.445 6.230 50 10 JKGE CC[C@@](C)(NC(=O)CCc1nc(-c2ccc(F)cc2)cs1)C(=O)Nc1ccc(SC#N)cc1 1867069159 NDAJYXVOLVPKLF-XMMPIXPASA-N 482.606 5.379 50 10 JKGE Cc1ccc2c(c1)nc(/C(C#N)=C/c1ccc(OCc3ccc(Br)cc3)cc1)n2C 1872727898 GHAMJTIOOUZGLY-XSFVSMFZSA-N 458.359 6.287 50 10 JKGE COc1ccc(-c2csc(/C(C#N)=C(\O)COc3ccc(Cl)cc3Cl)n2)cc1OC 1872745266 FFQGLZQVZWVMAQ-VKAVYKQESA-N 463.342 6.006 50 10 JKGE COc1ccc(-c2csc(/C(C#N)=C(\O)c3cc(C(F)(F)F)cc(C(F)(F)F)c3)n2)cc1C 1872746560 NOHCXCTUPGSCAC-MNDPQUGUSA-N 484.421 7.115 50 10 JKGE CC(C)Oc1ccc(/C=C(C(/O)=C(\C#N)c2nc(-c3ccc(Cl)cc3)cs2)\c2ccccc2)cc1 1872747990 BRMXJWRPQCHBEZ-KUEQOBMBSA-N 499.035 8.284 50 10 JKGE CC(C)c1csc(/C(C#N)=C(\O)CN2C(=O)c3c(Cl)c(Cl)c(Cl)c(Cl)c3C2=O)n1 1872751106 YEYDNYWLGSBWBR-CLFYSBASSA-N 491.183 5.969 50 10 JKGE CCOc1ccc(/C=C(C(/O)=C(\C#N)c2nc(-c3ccc(C(C)C)cc3)cs2)\c2ccccc2)cc1 1872752350 YFPSDQNRUROSCV-CDTUWOALSA-N 492.644 8.366 50 10 JKGE COc1cc(/C(O)=C(\C#N)c2nc(-c3cc(Cl)cc(Cl)c3OC)cs2)cc(OC)c1OC 1872754544 XYARHEAURNCOBB-RGEXLXHISA-N 493.368 6.101 50 10 JKGE COc1ccc(OC)c(/C=C/C(O)=C(\C#N)c2nc(-c3cc(C(C)(C)C)ccc3C)cs2)c1 1872755849 JEPSNOAUWNWMGW-HXYGAVEPSA-N 460.599 6.939 50 10 JKGE N#C/C(=C(/O)c1ccc2c(c1)C(=O)N(Cc1ccco1)C2=O)c1nc(-c2cccc([N+](=O)[O-])c2)cs1 1873940645 BEEMKAOBGCERFO-XDOYNYLZSA-N 498.476 5.057 50 10 JKGE FC(F)(F)[C@@H]1C[C@@H]1[C@@H](Br)c1c(Br)sc(Br)c1Cl 1905844072 RLZBHKBSRYVVQL-GDGKWOGESA-N 477.365 6.561 50 10 JKGE C[C@H](CCBr)N(Cc1ccccc1)C(=O)c1ccc(Br)cc1Cl 1915129666 BNBILZSLEGGVAZ-CYBMUJFWSA-N 459.609 5.918 50 10 JKGE CC(C)(C1CCCCC1)[C@@H](Br)c1sc(Br)cc1Br 1922895508 WMOKCPYLAQVELJ-ZDUSSCGKSA-N 459.085 7.316 50 10 JKGE Fc1cc([C@H](Br)c2sc(Br)cc2Br)ccc1Cl 1922934932 LASTXZWLQMGLRS-JTQLQIEISA-N 463.391 6.550 50 10 JKGE Brc1cc(Br)c([C@@H](Br)c2ccc3c(c2)CCC3)s1 1922938271 CXOTXLWRXIHBJO-ZDUSSCGKSA-N 451.021 6.246 50 10 JKGE Brc1cnccc1C[C@@H](Br)c1c(Br)cccc1Br 1924021574 KWZHPFCUVFOGKJ-LLVKDONJSA-N 498.838 6.048 50 10 JKGE Cc1sc(Br)cc1[C@H](Br)[C@H](C)c1ccncc1Br 1924066453 IDFJVMOADXLSJC-FUXBKTLASA-N 454.025 6.216 50 10 JKGE Cl[C@H](c1c(Br)sc(Br)c1Br)[C@@H]1Cc2ccccc2O1 1924596831 ULLRNLJYYHUVJC-KWQFWETISA-N 487.438 6.319 50 10 JKGE Cn1nc([C@H](Br)c2sc(Cl)cc2Br)c(Br)c1Cl 2001989011 WEZNEVHAYMFJII-YFKPBYRVSA-N 483.838 5.798 50 10 JKGE Cc1cc(Br)sc1[C@H](Br)c1nn(C)c(Cl)c1Br 2001989249 ZFPZRHVURABRMR-ZCFIWIBFSA-N 463.420 5.453 50 10 JKGE Clc1c(Br)sc(Br)c1[C@@H](Br)[C@H]1[C@H]2C[C@@H]3[C@H]1[C@@H]3C2 2016566507 RCRKZVNJFWGRKM-UUARJNLQSA-N 461.444 6.265 50 10 JKGE CCN(C[C@](C)(CI)O[C@@H]1CCC[C@@H](C)[C@H]1C)C(=O)OC(C)(C)C 2022947717 MOAZCGUOPUUSNE-NNFUDEMPSA-N 453.405 5.278 50 10 JKGE CCCOc1ccc(-c2nn(-c3ccccc3)cc2C=C(C#N)c2nc3ccccc3s2)c(C)c1 2040572484 CWAXVAZQXHHGPB-UHFFFAOYSA-N 476.605 7.310 50 10 JKGE Cc1cc(Br)sc1[C@H](Br)c1cc(Cl)c(C)c(Br)c1 2048495395 BAMWOWVOWIPURW-GFCCVEGCSA-N 473.455 7.028 50 10 JKGE Cc1sc(C)c(C[C@H](Br)c2cccc(Br)c2)c1Br 2050563038 ASSCLAWNYWYYOC-ZDUSSCGKSA-N 453.037 6.569 50 10 JKGE CC1(C)OCCO[C@@H]1[C@H](Br)c1c(Br)sc(Br)c1Cl 2066674162 KATKBFSMGXHZKO-HTRCEHHLSA-N 483.447 5.557 50 10 JKGE Cl[C@H](c1c(Br)sc(Br)c1Br)[C@@H]1C[C@@H]1C1CCCC1 2079391718 FZVXWYVNMFILLW-XLDPMVHQSA-N 477.487 7.142 50 10 JKGE FC(F)c1cscc1[C@@H](Br)c1ccc(Br)cc1Br 2083319035 VAMJCUYJUOSWGT-NSHDSACASA-N 460.963 6.695 50 10 JKGE BrC[C@H](Cc1cccc(Br)c1)Cc1cc(Br)sn1 2084086584 SNGWODKXKCBNSI-SNVBAGLBSA-N 454.025 5.464 50 10 JKGE BrCc1ccc(N2CCC[C@H]2[C@@H]2CCN(Cc3ccccc3)C2)c(Br)c1 2089000828 PRRLKKSWMRCLQL-CTNGQTDRSA-N 478.272 5.835 50 10 JKGE Clc1cc(Br)ccc1[C@H](Br)c1cc(C2CC2)c(Br)s1 2094673722 OASRSPUHDQXUJD-ZDUSSCGKSA-N 485.466 7.288 50 10 JKGE Clc1c(Br)sc(Br)c1[C@H](Br)c1ccccc1C1CC1 2104107480 GBUQUESXZJVELI-LLVKDONJSA-N 485.466 7.288 50 10 JKGE Fc1ccc(CC[C@H](Br)c2ccc(Br)cc2)c(Br)c1 2113492274 ZCLGCHJNQJCBCE-AWEZNQCLSA-N 450.971 6.420 50 10 JKGE CCc1cc([C@@H](Br)c2csc(Br)c2Br)c(F)cc1F 2118739490 NYMOFKADBJMRHW-LLVKDONJSA-N 474.990 6.598 50 10 JKGE O=S(=O)(c1cc(CBr)ccc1Cl)N(Cc1ccccc1)CC1CCCC1 2123199526 UDZGHYQGBPUGIP-UHFFFAOYSA-N 456.833 5.616 50 10 JKGE Cc1cc(Br)c(C)c([C@H](Br)[C@]23CCOC[C@@H]2C3)c1Br 2136383581 ZGXAKAMKOQBXHQ-LKTVYLICSA-N 453.012 5.691 50 10 JKGE Fc1ccc(C[C@H](Cl)c2ccc(Br)cc2I)cc1F 2142278935 JSAYYNGGTKQOAY-NSHDSACASA-N 457.483 5.855 50 10 JKGE FC(F)(F)C1([C@@H](Br)c2cc(I)cc3c2OCC3)CCC1 2144254873 HIRYPZUZMBORMX-LBPRGKRZSA-N 461.059 5.395 50 10 JKGE COc1cc(Br)c(C)cc1[C@H](Br)c1ccc(C)cc1Br 2145959530 CIYCDUQEZKETNZ-MRXNPFEDSA-N 463.007 6.321 50 10 JKGE C[C@H]1Cc2cc([C@H](Br)c3ccc(Br)cc3)cc(Br)c2O1 2146630337 WEZJSBMTHMSQPK-BJOHPYRUSA-N 460.991 6.019 50 10 JKGE BrCc1ccc(N2C[C@]34CCC[C@@]3(CN(Cc3ccccc3)C4)C2)cc1Br 2153341299 OBKHNCUTPRTGIO-DHIUTWEWSA-N 490.283 5.837 50 10 JKGE CC1(C)CC(CBr)(CNC(=O)c2cc(Br)ccc2Br)C1 2158304569 RBMSOEZVZIRVBG-UHFFFAOYSA-N 468.027 5.143 50 10 JKGE C[C@]1(n2c(CCCl)nc3cc(Br)c(Cl)cc32)CCN(Cc2ccccc2)C1 2159869754 WGPJLLGKVMFZQZ-NRFANRHFSA-N 467.238 5.855 50 10 JKGE Clc1c(Br)cccc1C[C@@H](CBr)Cc1cccc(Br)c1 2166823544 OEDJRWCNZNIIOV-LBPRGKRZSA-N 481.453 6.661 50 10 JKGE BrCc1cc(Br)cc(Br)c1OCc1nnc(C2CC2)s1 2186519641 PHWLRNBIZJLJBI-UHFFFAOYSA-N 483.023 5.414 50 10 JKGE Cc1cc(Br)c(C)c([C@@H](Br)[C@@H]2CC23CCOCC3)c1Br 2201061691 HJJAQCGTRVZSHT-NHYWBVRUSA-N 467.039 6.081 50 10 JKGE Cc1cc(Br)c(C)c([C@@H](Br)C2CC(C(F)(F)F)C2)c1Br 2201066994 GUYGCULMJMOUHK-RPTIHFLNSA-N 478.972 6.853 50 10 JKGE COc1ccccc1[C@@H](Br)c1c(C)c(Br)cc(C)c1Br 2201076937 ZXHQBXDUBLCACL-MRXNPFEDSA-N 463.007 6.321 50 10 JKGE FCCOc1ccc([C@H](Br)c2ccc(Br)cc2Br)cc1 2203707850 XSVUXKIBQRKYDK-HNNXBMFYSA-N 466.970 6.044 50 10 JKGE C[C@H]1COc2ccc([C@@H](Cl)c3ccc(Br)cc3I)cc21 2207260930 RZVITCZESRGTCO-XXFAHNHDSA-N 463.540 5.878 50 10 JKGE FC(F)(F)C[C@H](Cl)Cc1sc(Br)c(Br)c1Br 2212199436 CKCIKEBZKSPFHJ-GSVOUGTGSA-N 465.354 6.138 50 10 JKGE Cc1c(Br)csc1[C@H](Cl)c1c(Cl)sc(Br)c1Cl 2213771417 CKGQEIYYLXUBRV-ZCFIWIBFSA-N 455.451 7.278 50 10 JKGE Cc1cc([C@@H](Br)c2sc(C)c(C)c2Br)sc1Br 2215947008 YBDHALXEWBNMJC-SNVBAGLBSA-N 459.066 6.744 50 10 JKGE Fc1cc(Br)c(Br)cc1[C@H](Br)c1cc(Cl)c(Cl)s1 2218596765 HOEKMIYGCPJJID-JTQLQIEISA-N 497.836 7.203 50 10 JKGE ClCc1nc2cc(Br)c(Br)cc2n1[C@@H]1CC[C@H]1OCc1ccccc1 2218660361 UTUWIBOHOGJRTF-SJLPKXTDSA-N 484.619 6.220 50 10 JKGE Clc1cc(Br)ccc1C[C@H](Br)c1cccc(Br)c1 2221696489 AQJNBVSKBQCQGP-ZDUSSCGKSA-N 453.399 6.544 50 10 JKGE Cn1cc([C@@H](Br)Cc2ccc(Br)cc2Cl)c(Br)n1 2221697185 JNAHGCGWDURRGJ-JTQLQIEISA-N 457.391 5.277 50 10 JKGE COc1ccc([C@@H](Br)c2ccc(C)c(I)c2)c(Br)c1 2224622247 OLMJCQLHNSDQGW-HNNXBMFYSA-N 495.980 5.855 50 10 JKGE Cc1cc(Br)c([C@H](Br)[C@H]2CC[C@H](C)CC2)c(C)c1Br 2227351957 OQFMEECTVPRMJP-VYROHLMNSA-N 453.056 7.091 50 10 JKGE CCOCc1cc(Br)c([C@H](Br)c2c(Cl)cccc2Cl)s1 2233017038 MFINGASSMWTGBN-CYBMUJFWSA-N 459.030 6.838 50 10 JKGE Cc1cc(Br)c([C@H](Br)CCOCC(F)(F)F)c(C)c1Br 2235604074 MLVZBMWVTFLYRR-SECBINFHSA-N 482.960 6.233 50 10 JKGE Cc1cc(Br)c([C@H](Br)[C@@H]2C[C@H]3C[C@H]2[C@@H]2C[C@H]32)c(C)c1Br 2235605642 KTPCRQKSXQMDJV-OLGYYULASA-N 463.051 6.557 50 10 JKGE CCn1cc([C@@H](Br)c2cc(C)c(OC)cc2Br)nc1Br 2236020938 PQHUFKGZELXYCN-ZDUSSCGKSA-N 466.999 5.229 50 10 JKGE COc1ccc([C@@H](Br)c2nscc2Br)cc1I 2248896563 UKJKMGMMYMZPSY-SNVBAGLBSA-N 488.970 5.003 50 10 JKGE COc1cc(Cl)c(Cl)cc1[C@@H](Br)c1sccc1I 2253422974 MIMWFETUKBTSJR-LLVKDONJSA-N 477.976 6.152 50 10 JKGE Cc1sc([C@@H](Cl)c2c(F)cccc2I)c(C)c1Br 2255903544 YEYMVEZSXJYDAK-LBPRGKRZSA-N 459.549 6.199 50 10 JKGE Cc1sc(Br)c([C@H](Br)c2cccc(Cl)c2Br)c1C 2256136466 KVSOUDXENZECAH-GFCCVEGCSA-N 473.455 7.028 50 10 JKGE COc1c(Br)cc(Cl)cc1[C@@H](Br)c1cc(Br)sn1 2263539037 QMIQFZPLPVXEKU-SNVBAGLBSA-N 476.415 5.814 50 10 JKGE FC1(F)C[C@@H]([C@H](Br)c2ccc(Br)cc2Br)C12CCC2 2266142646 MVYDBBMIZJJHNN-CMPLNLGQSA-N 458.966 6.473 50 10 JKGE Fc1cccc(I)c1[C@@H](Br)Cc1c(Cl)cccc1Cl 2267649413 CIFQLTFUTRRQKY-VIFPVBQESA-N 473.938 6.416 50 10 JKGE Fc1cccc(I)c1[C@H](Br)c1ccc(C2CCC2)s1 2271956024 JPFUDMUKAWYETI-OAHLLOKOSA-N 451.142 6.244 50 10 JKGE FC[C@@]12CC[C@@]([C@@H](Br)c3c(Br)sc(Br)c3Cl)(CO1)C2 2274672080 WNQYVAZCGOUSTD-UWJYBYFXSA-N 497.449 6.271 50 10 JKGE Cc1cc(Br)c([C@@H](Br)c2cc(Cl)cc(Br)c2)c(C)c1F 2279147785 YNZKEVSACDWLSK-AWEZNQCLSA-N 485.416 7.105 50 10 JKGE Cc1cc(Br)c([C@H](Br)c2c(Br)sc(C)c2C)c(C)c1F 2279158089 LHZZBBZLYSFCKJ-ZDUSSCGKSA-N 485.054 7.130 50 10 JKGE CCCCCCOc1ccc(C=C(C#N)C(=O)Nc2ncc(Cc3ccc(C)c(Cl)c3)s2)cc1 2293038780 ZCLPNEHTCDGVMW-UHFFFAOYSA-N 494.060 7.201 50 10 JKGE CCOc1cccc(NC(=O)C(C#N)=Cc2ccc(-c3ccc(C)cc3Br)o2)c1 2294193288 AEFLDSCFRBZMEU-UHFFFAOYSA-N 451.320 5.962 50 10 JKGE CCOc1ccc([C@@H](Br)Cc2cc(Br)cc(Br)c2)cc1 2295275616 WRSKIJRZZZOPRX-INIZCTEOSA-N 463.007 6.289 50 10 JKGE COc1cc(C)c(Cl)cc1[C@@H](Cl)c1ccc(Br)cc1I 2295298073 CUMWKMXXJDKFJA-HNNXBMFYSA-N 485.974 6.352 50 10 JKGE Cc1ccc(Oc2nc3ccccn3c(=O)c2C=C(C#N)c2nc3ccccc3s2)c(C)c1 2296719319 BLONXUJRZCUFTO-UHFFFAOYSA-N 450.523 5.778 50 10 JKGE Cc1cc(Oc2nc3c(C)cccn3c(=O)c2C=C(C#N)S(=O)(=O)c2ccccc2)ccc1Cl 2296720302 MBZRSFXZTPNNBF-UHFFFAOYSA-N 491.956 5.095 50 10 JKGE Cc1ccc(NC(=O)C(C#N)=Cc2c(Oc3ccc(Cl)cc3Cl)nc3ccccn3c2=O)cc1 2296720845 BWUQGJFFVWGVCF-UHFFFAOYSA-N 491.334 5.648 50 10 JKGE CCN[C@@H](c1ccc(OCc2ccccc2)cc1Br)C1CC(Br)C1 2299525383 NCBCDVJDONGJKH-ALLBUHFWSA-N 453.218 5.852 50 10 JKGE CC1(C)CO[C@@H]([C@H](Br)c2cc(Br)ccc2OCc2ccccc2)C1 2299534643 GCUNAEYDDCXJKR-RTBURBONSA-N 454.202 6.279 50 10 JKGE CC1(C)CC[C@@H](CO[C@@]2(CI)CCCN(C(=O)OC(C)(C)C)C2)C1 2302680119 SJUGHBFQOJTJSL-DNVCBOLYSA-N 451.389 5.034 50 10 JKGE Cc1scc([C@H](Cl)c2ccc(Br)cc2Br)c1Br 2303644763 VAIOLOZOESHEJM-GFCCVEGCSA-N 459.428 6.672 50 10 JKGE COc1cc(Br)c(C=C(C#N)C(=O)Nc2ccc(Cl)c(Cl)c2)cc1OC 2313630850 GHKOZGRBBYDGIF-UHFFFAOYSA-N 456.123 5.319 50 10 JKGE N#CC(=Cc1ccc(OCc2ccc(Cl)cc2Cl)cc1)C(=O)Nc1cc(Cl)ccc1Cl 2313631845 WYSZNAHPUKPUSH-UHFFFAOYSA-N 492.189 7.425 50 10 JKGE Brc1cc(OCc2ccccc2)ccc1[C@H](Br)CC(C1CC1)C1CC1 2314454522 GYXWBGGHNKYPGI-JOCHJYFZSA-N 464.241 7.290 50 10 JKGE Brc1cc(OCc2ccccc2)ccc1[C@@H](Br)[C@H]1CCCC2(CC2)C1 2314456138 USIJDNFEUHPFPZ-UWJYYQICSA-N 464.241 7.435 50 10 JKGE Cc1ccc(Cl)c([C@H](Br)c2cc(Br)ccc2OCc2ccccc2)c1 2314499608 DVSZWHYDQYOECE-NRFANRHFSA-N 480.627 7.474 50 10 JKGE N#CC(=Cc1ccc(-c2ccccc2Cl)o1)C(=O)Nc1sc2c(c1C(N)=O)CCCC2 2314571290 CQTOMXZDINTKTQ-UHFFFAOYSA-N 451.935 5.185 50 10 JKGE CCCc1sc(Br)cc1[C@H](Br)c1cc(Br)sc1C 2316174211 XIQMIXSBCAISNN-CYBMUJFWSA-N 473.093 7.080 50 10 JKGE FC(F)(C1CCCCC1)[C@H](Br)c1sc(Cl)cc1I 2316596860 KLFFFSILHUJGLN-LLVKDONJSA-N 469.560 6.658 50 10 JKGE CCOc1cc(C=NNC(=O)[C@@H]2CCCN(C(=O)OC(C)(C)C)C2)ccc1OCc1ccc(C)cc1 2321721623 WAQJLKHPIAPSSF-HSZRJFAPSA-N 495.620 5.070 50 10 JKGE CC1(C)CC[C@H](Cc2ccc(I)c(Br)c2)C[C@H]1Br 2325189155 KIBGUNQSROZAQY-BXUZGUMPSA-N 486.029 6.186 50 10 JKGE COc1cc(C=C(C#N)c2nc(O)c3ccccc3n2)ccc1OCC(=O)Nc1ccc(C)cc1C 2331030136 XOXCLWXLLZRVGS-UHFFFAOYSA-N 480.524 5.043 50 10 JKGE CCn1c(C(C#N)=Cc2ccc(OCC(=O)Nc3ccc(C)cc3)c(OC)c2)nc2ccccc21 2331071813 MSVXGRLLMGYUFR-UHFFFAOYSA-N 466.541 5.455 50 10 JKGE COc1ccc(-c2csc(C(C#N)=C(O)COc3ccc(OC)cc3C(C)(C)C)n2)cc1 2331273274 FSJPPOWVPMNHLA-UHFFFAOYSA-N 450.560 5.996 50 10 JKGE CCCCOc1ccc(C(O)=C(C#N)c2nc(-c3ccc(OCC)cc3)cs2)cc1OCC 2331305776 STTBOXWHHQVXKY-UHFFFAOYSA-N 464.587 6.736 50 10 JKGE CCCOc1ccc(-c2csc(C(C#N)=C(O)c3ccc(N4CCOCC4)c([N+](=O)[O-])c3)n2)cc1 2331318574 BDSUGRUIAHANGO-UHFFFAOYSA-N 492.557 5.294 50 10 JKGE COc1ccc(C)cc1-c1csc(C(C#N)=C(O)c2ccc(N3CCCC3)c([N+](=O)[O-])c2)n1 2331324381 ROAJYGSAKQOJSH-UHFFFAOYSA-N 462.531 5.585 50 10 JKGE N#CC(=C(O)c1ccc2c(c1)C(=O)N(C1CCCCC1)C2=O)c1nc(-c2ccc(F)cc2)cs1 2331342793 XODVRJDDYFXGLR-UHFFFAOYSA-N 473.529 5.828 50 10 JKGE COc1cc(C=CC(O)=C(C#N)c2nc(-c3ccc(F)c(F)c3)cs2)ccc1OC(C)=O 2331351974 QRFYYEAJFWMPQE-UHFFFAOYSA-N 454.454 5.528 50 10 JKGE COc1ccc(-c2csc(C(C#N)=C(O)c3cc([N+](=O)[O-])cc([N+](=O)[O-])c3)n2)c2ccccc12 2331408294 UGERAUWFXQOHPG-UHFFFAOYSA-N 474.454 5.738 50 10 JKGE CCCOc1ccc(-c2csc(C(C#N)=Cc3c(F)cccc3Cl)n2)cc1OCCC 2331437677 BFNGVZQLQPCNNI-UHFFFAOYSA-N 456.970 7.244 50 10 JKGE N#CC(=Cc1cc(Br)ccc1F)c1nc(-c2ccc(Oc3ccccc3)cc2)cs1 2331464537 NVHVDEWWLVMJCF-UHFFFAOYSA-N 477.358 7.568 50 10 JKGE Fc1ccc([C@H](Br)c2cc(Br)ccc2OCc2ccccc2)c(F)c1F 2336047250 KJOWGRNITGCYFT-SFHVURJKSA-N 486.125 6.930 50 10 JKGE Fc1c(Br)cc(Cl)c([C@@H](Br)CC[C@H]2CCOC2)c1Br 2337080626 KRORSKOYVQROSQ-YUMQZZPRSA-N 479.409 6.257 50 10 JKGE Fc1c(Br)cc(Cl)c([C@H](Br)[C@H]2C3C[C@@H]4C2[C@@H]4C3)c1Br 2337085879 FFBCCWCTJAHZCO-XAAGVGRASA-N 473.405 6.342 50 10 JKGE CCc1ccsc1[C@@H](Br)c1c(Cl)cc(Br)c(F)c1Br 2337114202 OCFBDPUCAOQSDD-NSHDSACASA-N 491.445 7.112 50 10 JKGE COC[C@@H]1CC[C@@H](Cc2ccc(Cl)c(I)c2)C[C@@H]1Br 2337274055 FOPAJBWSESCFIT-DRZSPHRISA-N 457.577 5.313 50 10 JKGE Cn1cnc(Br)c1[C@@H](Cl)c1c(F)cc(Cl)c(Br)c1Cl 2337276379 GJGHWPCIBZSHQW-VIFPVBQESA-N 451.348 5.719 50 10 JKGE C[C@@H](c1ccncc1Br)[C@H](Cl)c1c(Br)c(Br)nn1C 2338707286 BCEIKAGHUQPGPF-WKEGUHRASA-N 472.406 5.186 50 10 JKGE COc1c(Br)cc(C)c([C@H](Br)C2[C@@H]3CCC[C@@H]23)c1Br 2339689904 QUPIHYYRECGBHD-KKFJDGPESA-N 453.012 6.011 50 10 JKGE Cc1cc(Cl)c(Br)cc1[C@H](Cl)c1ccc(Cl)cc1I 2340064259 DYVOXMGNLBAGRN-CQSZACIVSA-N 490.393 6.997 50 10 JKGE CO[C@]1(C(F)F)C[C@H]([C@H](Br)c2ccc(Br)cc2Br)C1 2343012222 NTGFGSMGDCRCQI-LCHGKGQCSA-N 462.954 5.708 50 10 JKGE CN(Cc1cc(I)ccc1Cl)C[C@@H](Br)C1CCCC1 2352425751 KIMRBQLZMUCZSK-CQSZACIVSA-N 456.593 5.330 50 10 JKGE O=C(c1scc(Br)c1Cl)N1CC[C@@H](Br)C[C@@H]1C(F)(F)F 2361464939 SLRBMNQOYHOJLA-IYSWYEEDSA-N 455.521 5.094 50 10 JKGE CCC[C@H](CC(C)C)[C@H](Br)c1c(Cl)cc(Br)c(F)c1Br 2362220095 FAQLHZOFZXDDOZ-RNCFNFMXSA-N 493.480 7.903 50 10 JKGE Cc1cc(Br)c(F)c(Br)c1[C@@H](Br)CC1CC2(CCC2)C1 2365187733 DAQSVWYBEAMMJC-NSHDSACASA-N 469.030 7.066 50 10 JKGE Cc1cc(Br)c(F)c(Br)c1[C@@H](Br)C1(C(F)(F)F)CCC1 2365189505 VSCKNGKXJVXFRB-LLVKDONJSA-N 482.935 6.828 50 10 JKGE COc1cc(C)c([C@H](Cl)c2ccc(Cl)cc2I)cc1Br 2365597767 KDPUDSNPXXDMQN-OAHLLOKOSA-N 485.974 6.352 50 10 JKGE Clc1ccc(CN2C[C@@H](Br)C3(CCCCC3)C2)c(I)c1 2366700693 AQPIZWVEOIJWRE-OAHLLOKOSA-N 468.604 5.474 50 10 JKGE Cc1csc([C@@H](Br)c2cc3c(cc2Br)OCCC3)c1Br 2369618623 MPFUTOTWUQKOLF-AWEZNQCLSA-N 481.047 6.391 50 10 JKGE Cl[C@@H]1C[C@H]2CCCC[C@H]2N(Cc2ccc(I)c(Br)c2)C1 2377313436 CVTCIVWCQMWKGR-XJKCOSOUSA-N 468.604 5.426 50 10 JKGE ClC[C@@H]1CC2(CCCC2)CN1Cc1ccc(I)c(Br)c1 2377330877 SGNANHWEBQQBLB-ZDUSSCGKSA-N 468.604 5.427 50 10 JKGE CC[C@@H](Oc1ccccc1[C@H](C)CC)C(=O)NNC(=O)c1ccc(NC(=O)c2ccccc2C)cc1 10683384 XUNKTKDINSUBJJ-KBMIEXCESA-N 487.600 5.379 50 10 JKGE O=C(COc1ccc2ccccc2c1Br)N/N=C/c1cc(Cl)cc(Cl)c1O 12575758 QXASHFPTRDPHES-NUGSKGIGSA-N 468.134 5.144 50 10 JKGE CCOC(=O)c1c(NC(=O)/C(C#N)=C/c2ccc(-c3cccc(Cl)c3Cl)o2)sc(C)c1C 14151245 HGLNZNYHRBPZPE-GXDHUFHOSA-N 489.380 6.654 50 10 JKGE N#C/C(=C/c1ccc(OC(=O)CC(c2ccccc2)c2ccccc2)cc1)c1ccc(Cl)cc1 31901232 IJPICIDNRCMKJV-XHPQRKPJSA-N 463.964 7.532 50 10 JKGE COc1cc(/C=C(/C#N)c2nc3ccccc3s2)ccc1OC(=O)c1csc2c1CCCC2 33477545 DTVKUCFAYLOFDS-ATVHPVEESA-N 472.591 6.529 50 10 JKGE N#C/C(=C/c1ccc(N2N=C(c3ccccc3)C[C@H]2c2ccccc2)cc1)C(=O)NCCc1ccccc1 33568732 PZCGIOMBQNTLOO-QCLXOHTFSA-N 496.614 6.308 50 10 JKGE CCOC(=O)c1c(-c2ccc(C)cc2)csc1NC(=O)/C(C#N)=C\c1ccccc1OC(C)C 33793579 OYMVUMJIYACSOP-STZFKDTASA-N 474.582 6.233 50 10 JKGE COc1cc(/C=C(\C#N)c2nc(-c3ccccc3)cs2)ccc1OCC(=O)Nc1nccs1 35520002 ITYZVAJNWBPIOD-WOJGMQOQSA-N 474.567 5.357 50 10 JKGE CC(C)c1ccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)COc4cccc(Cl)c4)ccc32)cc1 38649680 ZDQCYWTYETUZKJ-SANMLTNESA-N 474.944 5.666 50 10 JKGE N#CC1=C(N)Oc2cc(OC(=O)COc3ccc(F)cc3)ccc2[C@@H]1c1ccc(Cl)cc1Cl 38655199 WHZLMFGSANNZCW-QHCPKHFHSA-N 485.298 5.335 50 10 JKGE CCCOc1c(Cl)cc(C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@H]3c2ccco2)cc1Cl 38688494 FMNXGRQPQAXNSS-NRFANRHFSA-N 485.323 5.813 50 10 JKGE Cc1cc(OC(=O)c2oc3c(c2C)/C(=N/NC(=O)c2ccc(O)cc2)CCC3)cc(C)c1Cl 40812125 JULVYIKADSPDBX-ZXVVBBHZSA-N 466.921 5.253 50 10 JKGE CCOc1cc(/C=C(\C#N)C(=O)NCc2ccco2)ccc1OC(=O)c1ccc(Cl)c(Cl)c1 40926094 QHCJCILDWWXXGP-LICLKQGHSA-N 485.323 5.428 50 10 JKGE Cn1nc(-c2ccc(/C=C(/C#N)S(=O)(=O)c3ccc(Cl)cc3)s2)cc1C(F)(F)F 100271734 OIVHDPXJVGHPGA-ZSOIEALJSA-N 457.886 5.159 50 10 JKGE CCc1nn(CC)c(CC(CBr)(CBr)CC(C)C)c1Br 118876025 OAHVUSORJIXGNS-UHFFFAOYSA-N 473.091 5.593 50 10 JKGE C[C@H]1COc2ccc([C@@H](Br)c3csc(I)c3)cc2OC1 124441120 XBTCVCSPNWWKFA-BJOHPYRUSA-N 465.150 5.244 50 10 JKGE O=C(NC[C@@H]1CCCC[C@@H]1CBr)c1cc(Br)c(Br)s1 126778668 FVFLCYXDTMCKCX-BDAKNGLRSA-N 474.056 5.204 50 10 JKGE CC(C)[C@H]1CC[C@@H](C)C[C@H]1O[C@@H](CI)c1ccccc1Br 162043269 MUQRAUVIVADRAV-DTDBQYNISA-N 465.213 6.403 50 10 JKGE CCCOc1c(Cl)cc(/C=N\NC(=O)c2nc(-c3ccccc3)sc2C)cc1OCC 169927224 NWLLJZDETZURML-QFEZKATASA-N 457.983 5.723 50 10 JKGE CC(C)(C)c1ccc(/C=C\C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@@H]3c2cccs2)cc1 205646817 CFOZJAAZZOEGAM-FJJUSPRBSA-N 456.567 5.883 50 10 JKGE N#C/C(=C/Nc1ccc(I)cc1)C(=O)Nc1ccc(Cl)cc1Cl 217177830 XRSGKMPZROTRQK-KTKRTIGZSA-N 458.086 5.056 50 10 JKGE BrC[C@H](Cc1cc(Br)cc2c1OCC2)c1ccc(Br)cc1 228556113 QENCZABSBQPZJH-AWEZNQCLSA-N 475.018 5.868 50 10 JKGE N#CC1=C(N)OC2=C(CN(Cc3ccccc3)C/C2=C/c2cccc(F)c2)[C@H]1c1cccc(F)c1 230155615 XGLGJCHXVFCTJP-KUCJUXPTSA-N 467.519 5.626 50 10 JKGE COc1ccc([C@@H](Cl)c2cccc(C)c2I)c(Br)c1 234987997 JNVSREMCNQKKAO-CQSZACIVSA-N 451.529 5.699 50 10 JKGE C[C@@H](Br)c1ccccc1NC(=O)c1cc(Br)sc1Br 235061391 IAMBDNBCLCCOBH-SSDOTTSWSA-N 468.008 5.981 50 10 JKGE Cc1sc(Br)cc1[C@H](Cl)c1cc(Br)sc1Br 235823893 UJMUUNCOJWRSPV-VIFPVBQESA-N 465.457 6.734 50 10 JKGE O=C(c1cc(I)ccc1Br)N(CCCl)C1CCCCC1 236019840 DXMDELRGHIOLQS-UHFFFAOYSA-N 470.576 5.067 50 10 JKGE Fc1ccc([C@H](Cl)c2cc(F)c(Br)cc2F)c(I)c1 236264731 WCITWOIFDZANLA-ZDUSSCGKSA-N 461.446 5.799 50 10 JKGE O=C(NN=Cc1cc(N=Nc2cccc(C(F)(F)F)c2)ccc1O)c1ccc2c(c1)OCO2 254745835 QRPGMZNKQGFVPB-UHFFFAOYSA-N 456.380 5.319 50 10 JKGE O=C(CN1CCn2c3c(c4cc(C5CCCCC5)ccc42)CCC[C@@H]31)NN=Cc1ccccc1F 254766463 USKCAKINUZECDZ-MHZLTWQESA-N 472.608 5.671 50 10 JKGE 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@]12C 254878912 FAKDDMAOMPFPIR-LSGLTXNBSA-N 499.607 8.823 50 10 JKGE Cc1cccc([C@H](Br)c2cc(Br)c(C)s2)c1I 300470467 AQWUZWUSYRQUON-LBPRGKRZSA-N 486.010 6.216 50 10 JKGE BrCC(CBr)(COC1CCCC1)c1cccc(Br)c1 382018488 OQAMQHGVSKAWGC-UHFFFAOYSA-N 455.028 5.436 50 10 JKGE Brc1ccccc1C[C@@H](Br)c1cc2c(cc1Br)OCC2 692465618 XAEORPKPLNINTJ-CQSZACIVSA-N 460.991 5.825 50 10 JKGE BrCc1ccc(Br)cc1N1CC[C@H]2[C@H](CCCN2Cc2ccccc2)C1 715015032 NYTMLOBGEWMQPB-CTNGQTDRSA-N 478.272 5.835 50 10 JKGE Fc1cc(C[C@H](CBr)c2cccc(Br)c2)ccc1Br 721998444 HQPAOLDQQOIBFB-GFCCVEGCSA-N 450.971 6.072 50 10 JKGE Cc1sc([C@H](Br)Cc2ccccc2Br)c(C)c1Br 724933226 DPJYIZNLXIUCIF-GFCCVEGCSA-N 453.037 6.569 50 10 JKGE FC(F)(F)c1cc([C@@H]2CN(Cc3ccccc3)C[C@@H]2CBr)cc(C(F)(F)F)c1 725385320 TUJXBAFTPMHFOL-YJBOKZPZSA-N 466.263 6.335 50 10 JKGE COc1cccc(C(CSc2nc3ccccc3o2)=NNC(=O)c2cccc(Cl)c2)c1 1083915922 YRHAVKRTFWVWHC-UHFFFAOYSA-N 451.935 5.416 50 10 JKGE CCOc1cc(C=NNC(=O)c2ccccc2C)ccc1OCc1ccc(Cl)c(Cl)c1 1084058449 RMCFYFPDPXUXPK-UHFFFAOYSA-N 457.357 6.043 50 10 JKGE CCOc1c(Cl)cc(C=NNC(=O)c2ccc(-n3c(C)ccc3-c3ccccc3)cc2)cc1OC 1084106776 MUWLWAGYAVNQEI-UHFFFAOYSA-N 487.987 6.277 50 10 JKGE CCn1c2ccccc2c2cc(C=NNC(=O)c3ccc(NC(=O)c4ccccc4)cc3)ccc21 1084113127 GMNMFGCUDVXDOE-UHFFFAOYSA-N 460.537 5.831 50 10 JKGE COc1cc(C=NNC(=O)c2ccc(-n3c(C)ccc3-c3ccccc3)cc2)c([N+](=O)[O-])cc1OC 1084557337 LDZLFXDVTWMRHU-UHFFFAOYSA-N 484.512 5.142 50 10 JKGE COc1cccc(C(=O)NN=C2CCCc3oc(C(=O)Nc4cccc(Cl)c4C)c(C)c32)c1 1772748497 AOHWFXNBQJTGHC-UHFFFAOYSA-N 465.937 5.281 50 10 JKGE O=C(COc1ccc(-c2ccccc2)cc1Br)NN=Cc1cccc(Br)c1 1772753984 HGQWUNNAVPNVIM-UHFFFAOYSA-N 488.179 5.408 50 10 JKGE CCCCCOc1ccc(C=NNC(=O)COc2ccc(CCC)cc2Br)cc1OC 1772756474 ZNQQKGXKUBDPBD-UHFFFAOYSA-N 491.426 5.508 50 10 JKGE CCOc1ccc2c(=O)c(-c3ccccc3OC)c(C(=O)Nc3ccc(SC#N)cc3)oc2c1 1859766074 QKQDRQHQNRNPCN-UHFFFAOYSA-N 472.522 5.693 50 10 JKGE CCOc1cc([C@H]2C(C#N)=C(N)Oc3c2c(-c2ccccc2)nn3-c2ccccc2Cl)ccc1O 1865681085 DRYCZTZKQYKQRY-QHCPKHFHSA-N 484.943 5.515 50 10 JKGE N#CC1=C(N)Oc2c(c(-c3ccccc3)nn2Cc2cccc(Cl)c2)[C@@H]1c1ccc(C(=O)O)cc1 1865708842 HFBCXUFLGOFYEW-JOCHJYFZSA-N 482.927 5.168 50 10 JKGE CCCc1nn(Cc2c(F)cccc2Cl)c2c1[C@H](c1ccc(C(F)(F)F)cc1)C(C#N)=C(N)O2 1865710821 JFYHKVAWRAMZAQ-HXUWFJFHSA-N 490.888 5.913 50 10 JKGE COc1ccc(-c2nn(Cc3cc(C)ccc3C)c3c2[C@H](c2ccccc2C)C(C#N)=C(N)O3)cc1 1865712678 FGJKHGGIOJSIRL-AREMUKBSSA-N 476.580 5.750 50 10 JKGE CCc1ccc(OCCCC(=O)NNC(=O)CCCSc2ccc(C)cc2)c(Br)c1 1865755790 QFONQDXRRPEWNP-UHFFFAOYSA-N 493.467 5.199 50 10 JKGE CC[C@@H](NC(=O)C[C@@H](c1ccc(C(C)C)cc1)C(C)C)C(=O)Nc1ccc(SC#N)cc1 1866745564 ITWIYTHYXVHYOC-DNQXCXABSA-N 451.636 6.046 50 10 JKGE CCCCc1ccc(-c2csc(/C(C#N)=C(\O)Cc3ccc(Br)cc3)n2)cc1 1872745117 WRWIQSVIAPAAMI-XDOYNYLZSA-N 453.405 6.951 50 10 JKGE COc1ccc(-c2csc(/C(C#N)=C(\O)[C@H](CC(C)C)N3C(=O)c4ccccc4C3=O)n2)cc1C 1872746406 GSVIQNNSXPFMQB-ATHPHSJWSA-N 487.581 5.631 50 10 JKGE COc1ccc(-c2csc(/C(C#N)=C(\O)c3ccc(N(C)C)c([N+](=O)[O-])c3)n2)cc1Cl 1872757518 JRQJBCKSJDGHCI-ZHZULCJRSA-N 456.911 5.396 50 10 JKGE CCOc1ccc(/C=C/C(O)=C(\C#N)c2nc(-c3ccc(OC)c4ccccc34)cs2)cc1 1872758834 SMNGRQLNKVUIBX-KOGOKJSQSA-N 454.551 6.877 50 10 JKGE CCCCCOc1ccc(/C=C(\C#N)c2nc(-c3cc(C)cc(C)c3OC)cs2)cc1OCC 1872792898 WLQKAFSSAUCGHO-PXLXIMEGSA-N 476.642 7.467 50 10 JKGE CCCOc1ccc(-c2csc(/C(C#N)=C(O)/C=C/c3ccc(C(C)C)cc3)n2)cc1OCCC 1872817938 DUWDATNMGRPHEZ-CFONORRBSA-N 488.653 8.017 50 10 JKGE O=C(N[C@H](CCBr)COCc1ccccc1)c1scc(Br)c1Cl 1902792224 HOIMSCFIWRWPMS-GFCCVEGCSA-N 481.637 5.264 50 10 JKGE FC(F)(F)CC1([C@H](Br)c2sc(Br)cc2Br)CCC1 1922906283 IEDHBFUPFHCZKT-SECBINFHSA-N 470.974 6.832 50 10 JKGE COc1ccc(CC[C@H](Br)c2sc(Br)cc2Br)cc1 1922953338 BYMYDHKQKXDAJK-NSHDSACASA-N 469.036 6.351 50 10 JKGE Fc1ccc([C@@H](Br)c2c(Br)sc(Br)c2Cl)cc1Cl 1923055396 SNETZEDAGRHMNX-MRVPVSSYSA-N 497.836 7.203 50 10 JKGE Clc1c(Br)sc(Br)c1[C@@H](Br)C12CCC(CC1)CC2 1923061684 MFNRUYIFOODRBW-OILJVLCYSA-N 477.487 7.333 50 10 JKGE Cl[C@H](c1c(Br)sc(Br)c1Br)[C@@H]1C[C@@H]2C[C@H]2CO1 1924570925 NOJHHECQNOAMJC-JXBXBTJBSA-N 465.432 5.741 50 10 JKGE CC1([C@@H](Cl)c2c(Br)sc(Br)c2Br)CCCC1 1924579820 KNZJZZLYAKUTJG-QMMMGPOBSA-N 451.449 6.896 50 10 JKGE Brc1ccsc1[C@@H](Br)c1csc(Br)c1Br 1930628350 XEBALBVKFJLSMN-LURJTMIESA-N 495.881 6.581 50 10 JKGE Cc1cc([C@@H](Cl)c2cc(Br)c(Br)s2)c(Br)s1 1939962404 LJMGTJZZNQJXMD-MRVPVSSYSA-N 465.457 6.734 50 10 JKGE Cc1sc([C@@H](Cl)c2c(Br)cccc2Br)cc1Br 1945320932 CJZKHHNJZJROKM-GFCCVEGCSA-N 459.428 6.672 50 10 JKGE Clc1cc(Br)c([C@@H](Br)Cc2ccc(Br)cc2)s1 1948829274 RTLIIILJOGYURV-VIFPVBQESA-N 459.428 6.605 50 10 JKGE Cc1cc(Br)sc1[C@H](Br)c1ccc(Cl)cc1Br 1950207193 DLTLJHWQQAEBJH-LLVKDONJSA-N 459.428 6.719 50 10 JKGE Cc1c(Br)ccc([C@@H](Br)[C@H]2C[C@@H](Br)C2)c1Br 1994122103 IMTIGCOSWARJJQ-SXMVTHIZSA-N 475.844 6.130 50 10 JKGE COc1cc(C=C(C#N)c2nc(O)c3c4c(sc3n2)C[C@@H](C)CC4)cc(Br)c1O 2040447209 QNHZPURUDHRCAN-JTQLQIEISA-N 472.364 5.063 50 10 JKGE Fc1cc(Cl)c([C@H](Br)c2cc(Br)c(Cl)s2)cc1Cl 2083780345 KYJRLXYGMUPZJQ-JTQLQIEISA-N 453.385 7.094 50 10 JKGE ClCc1ccc(Br)c(Cl)c1N1C[C@@H]2CN(Cc3ccccc3)CC[C@H]2C1 2098116838 KQYWAEXOUMUSFG-ROUUACIJSA-N 454.239 5.800 50 10 JKGE Cc1nc([C@@H](Br)c2csc3c(Br)cccc23)c(Br)s1 2113186030 WZBAVYSVFVOYQJ-JTQLQIEISA-N 482.060 6.676 50 10 JKGE COc1ccc(Br)cc1[C@@H](Cl)c1cc(I)ccc1F 2113358260 OUHFMBBWSILMOP-AWEZNQCLSA-N 455.492 5.530 50 10 JKGE Clc1sc([C@H](Br)c2cc(Br)cc3c2OCC3)cc1Br 2115942444 LQUHWWMPITXUAP-LLVKDONJSA-N 487.438 6.346 50 10 JKGE COCc1cccc([C@H](Br)c2sc(Br)c(C)c2Br)c1 2134744873 BLHPFGRRKVAOOU-LBPRGKRZSA-N 469.036 6.212 50 10 JKGE CC1(C)CCC[C@@H]([C@@H](Br)c2ccc(Br)cc2Br)CC1 2138864716 PECAARGGRAIHND-IAQYHMDHSA-N 453.056 7.254 50 10 JKGE CCCN[C@@H](c1ccc(Br)c(C)c1Br)[C@H]1C[C@@H](Br)C1 2138872890 VFUATXNBSKOTCS-JRPNMDOOSA-N 454.044 5.734 50 10 JKGE Cc1cc([C@H](Br)[C@@H](C)c2ccncc2Br)ccc1I 2142105488 DEDVEZCCTHNSAA-ZUZCIYMTSA-N 494.996 5.997 50 10 JKGE COc1cc(F)c([C@@H](Br)c2c(Br)cccc2Br)c(F)c1 2150495946 ZPBDDUFTYWHCDU-AWEZNQCLSA-N 470.933 5.983 50 10 JKGE Cl[C@@H](c1cc(Br)c2c(c1)CCO2)c1c(Br)cccc1Br 2150504518 XLXRXCDYOQQLKC-AWEZNQCLSA-N 481.409 6.237 50 10 JKGE Cc1cc(Br)c(C)c([C@H](Br)[C@H]2CCCOC2(C)C)c1Br 2201071127 DKCKVYVKMNHUKG-IAQYHMDHSA-N 469.055 6.470 50 10 JKGE COc1c(Cl)cc(Br)cc1[C@H](Cl)c1c(Cl)cccc1Br 2203006807 JALKLMCYBKCASX-ZDUSSCGKSA-N 459.392 6.855 50 10 JKGE CCCc1ccccc1[C@@H](Br)c1ccc(Br)c(C)c1Br 2203696633 ZZTJXQWSCOGAIC-QGZVFWFLSA-N 461.035 6.957 50 10 JKGE COc1cc(CCl)cc(Br)c1OC[C@H]1CC1(Br)Br 2217993718 ARBKIVPONWNJCC-MRVPVSSYSA-N 463.391 5.081 50 10 JKGE Fc1ccc(Cl)cc1[C@H](Br)c1cc(Br)c(Br)cc1F 2225633877 LZJGYLCJAAZJDL-ZDUSSCGKSA-N 475.352 6.628 50 10 JKGE Cc1cc(Br)c([C@@H](Br)[C@](C)(F)C(C)(C)F)c(C)c1Br 2227349175 BOUTUDQTKCNADB-OCCSQVGLSA-N 462.998 6.741 50 10 JKGE CC(C)(C)C1([C@@H](Br)c2c(Br)cc(Cl)c(Cl)c2Cl)CCC1 2232517622 UYSKTUNOZMLTSD-ZDUSSCGKSA-N 463.468 8.062 50 10 JKGE Fc1cc(Br)c(Br)cc1[C@H](Br)[C@@]12CCCC[C@@H]1OCC2 2233978059 YMGBZXRCTFWQNM-SOUVJXGZSA-N 471.002 6.136 50 10 JKGE Cc1cc(Br)c([C@H](Br)C[C@@H]2CCC23CCC3)c(C)c1Br 2235600328 QEPQKQFAPYKADC-GXTWGEPZSA-N 465.067 7.235 50 10 JKGE Cc1cc(Br)c([C@@H](Br)c2cc(F)ccc2Cl)c(C)c1Br 2235603149 HSAYUGSWWSBQEQ-HNNXBMFYSA-N 485.416 7.105 50 10 JKGE COC[C@@]1([C@@H](Br)c2c(Br)cc(C)c(Br)c2C)CCCO1 2235616058 XTQNRZCDEDXPQO-LSDHHAIUSA-N 471.027 5.460 50 10 JKGE O=C(c1cc(Br)c(Br)s1)N1[C@H](CBr)C[C@@H]2CCCC[C@H]21 2240768050 WRFOLBABFYYLDO-ATZCPNFKSA-N 486.067 5.441 50 10 JKGE Cc1sc([C@H](Cl)c2ccc(Cl)c(I)c2)c(Br)c1C 2256336470 NMONYIMNCOJKPT-GFCCVEGCSA-N 476.004 6.714 50 10 JKGE CCCCc1ccc([C@@H](Cl)c2cc(I)ccc2Br)s1 2264372812 FIAANHJBBVTPKO-HNNXBMFYSA-N 469.613 6.786 50 10 JKGE CN(Cc1ccc(I)cc1)c1ccc(Br)cc1CBr 2265602749 BYALASIPWFAFFZ-UHFFFAOYSA-N 494.996 5.585 50 10 JKGE Cc1c(Cl)cccc1[C@@H](Br)Cc1cc(Br)cc(Br)c1 2277966802 WAOVRJBEUQDWFM-AWEZNQCLSA-N 467.426 6.852 50 10 JKGE COc1cc(Cl)c(Cl)cc1[C@H](Br)c1cc(I)ccc1F 2279052694 PVPXEQYKALLTNU-CQSZACIVSA-N 489.937 6.230 50 10 JKGE Cc1cc(Br)c([C@@H](Cl)c2cc(Cl)ccc2I)c(C)c1F 2279142269 QNBUNQJVQNCFAG-AWEZNQCLSA-N 487.965 6.791 50 10 JKGE CN(Cc1ccc(I)cc1)c1cc(F)cc(F)c1CBr 2280335273 AUDBFJIMSVBRQS-UHFFFAOYSA-N 452.080 5.101 50 10 JKGE CC(C)(C)OC(=O)NCc1ccc(NC(=O)c2ccc(CBr)cc2)cc1Cl 2281671531 WXLJONMZEVSWMF-UHFFFAOYSA-N 453.764 5.512 50 10 JKGE COCc1cc(Br)c([C@H](Br)c2cc(Cl)c(Cl)cc2C)s1 2286459534 XJRXCUAZNGMRFG-CYBMUJFWSA-N 459.030 6.757 50 10 JKGE CC(C)([C@H](Br)c1c(F)cc(Br)c(F)c1Br)[C@H]1CCCO1 2288498577 IMFOSMJWRUGIMB-NOZJJQNGSA-N 476.981 6.131 50 10 JKGE N#CC(=Cc1ccc(OCc2ccccc2)cc1)c1nc(-c2ccc(-c3ccccc3)cc2)cs1 2293559225 YVONVNKHLZZKCV-UHFFFAOYSA-N 470.597 8.120 50 10 JKGE CCOc1ccc(-n2c(SCC(=O)NN=CC(C)=Cc3ccccc3)nnc2-c2ccccc2)cc1 2293735594 NRSZIOPFLQWCRF-UHFFFAOYSA-N 497.624 5.631 50 10 JKGE FC(F)(F)C1([C@@H](Br)Cc2cc(Br)cc(Br)c2)CCCC1 2295332641 ZOVRUZJMCAWNIN-LBPRGKRZSA-N 478.972 6.640 50 10 JKGE Clc1c(Br)sc(Br)c1[C@@H](Br)[C@@]12CCC[C@@H]1CC2 2298694084 BPIQROOFWXBCJG-AKGNYGMASA-N 463.460 6.943 50 10 JKGE CCCN[C@H](c1cc(Br)ccc1OCc1ccccc1)[C@H]1C[C@@H]1Br 2299496516 NTHWVIOEXVQMJM-QRFRQXIXSA-N 453.218 5.852 50 10 JKGE C[C@@H]1CCC[C@@H]([C@@H](Br)c2ccc(OCc3ccccc3)cc2Br)O1 2299534219 BCWYQJWJMJXBCN-UAOJZALGSA-N 454.202 6.422 50 10 JKGE Clc1cc(I)c([C@@H](Br)c2cc3cscc3s2)s1 2301085782 HXAUUPCQOQIFGB-JTQLQIEISA-N 475.623 6.767 50 10 JKGE COc1cc(C=C(C#N)C(=O)Nc2ccc(Cl)cc2)ccc1OCc1ccc(Cl)cc1 2313631295 NQPYZGCOIYSKMM-UHFFFAOYSA-N 453.325 6.127 50 10 JKGE CCOc1ccc(NC(=O)C(C#N)=Cc2cc(Br)c(OC(C)C)c(OC)c2)cc1 2313683505 VTVMMHQZPPWDHM-UHFFFAOYSA-N 459.340 5.189 50 10 JKGE Cc1ccc(C[C@H](Br)c2ccc(OCc3ccccc3)cc2Br)cc1 2314448268 GMPUHSIIGCEBHK-NRFANRHFSA-N 460.209 7.015 50 10 JKGE FC1(F)[C@@H]2CC[C@@H]([C@H](Br)c3cc(Br)ccc3OCc3ccccc3)[C@@H]21 2314454595 HMTMXXWTKNQXBM-JZGRTCEGSA-N 472.167 6.755 50 10 JKGE Brc1cc(OCc2ccccc2)ccc1[C@H](Br)C[C@@H]1CCCOCC1 2314455567 PRRYXYZCUYUMDR-OXQOHEQNSA-N 468.229 6.671 50 10 JKGE Cc1ccc(N2C(=O)[C@@H](Cc3ccc(F)cc3)SC2=C(C#N)C(=O)N[C@H](C)c2ccccc2)cc1C 2314594129 ZMHVFVKPVCFDSQ-FQRUVTKNSA-N 499.611 5.746 50 10 JKGE Cc1ccc(N2C(=O)[C@H](Cc3ccc(F)cc3)SC2=C(C#N)C(=O)N[C@H](C)c2ccccc2)cc1C 2314594130 ZMHVFVKPVCFDSQ-IBVKSMDESA-N 499.611 5.746 50 10 JKGE FCCC1([C@H](Br)c2c(Cl)cc(Br)c(F)c2Br)CC1 2315446306 FBEQYGUPVHYXSW-LLVKDONJSA-N 467.373 6.580 50 10 JKGE COc1cc(Cl)ccc1[C@@H](Br)c1sc(Cl)cc1I 2316774623 KQDPBFLUYYKJBR-LLVKDONJSA-N 477.976 6.152 50 10 JKGE CC[C@@]1(C)[C@@H](OCc2ccc(I)c(Br)c2)C[C@H]1Br 2325371115 JWMYERKVPPPDTQ-HZSPNIEDSA-N 488.001 5.522 50 10 JKGE N#CC(=C(O)CN1C(=O)COc2ccc(Cl)cc21)c1nc(-c2ccc(Cl)c(Cl)c2)cs1 2331311862 GAFQDTKHAQETRL-UHFFFAOYSA-N 492.771 5.989 50 10 JKGE CCCCCCCOc1ccc(-c2csc(C(C#N)=C(O)CCCOc3ccccc3)n2)cc1 2331345749 VFIPKDXKYMUDDE-UHFFFAOYSA-N 476.642 7.811 50 10 JKGE COc1c(Cl)cc(Cl)cc1-c1csc(C(C#N)=C(O)c2ccc(Cl)c([N+](=O)[O-])c2)n1 2331364021 GEPZDLLEBCOZAI-UHFFFAOYSA-N 482.732 6.637 50 10 JKGE CCCCCCOc1ccc(C=C(C#N)c2nc(-c3ccccc3Cl)cs2)cc1OC 2331430785 YWDOUDZPCQOMKL-UHFFFAOYSA-N 453.007 7.495 50 10 JKGE CCOc1ccc([C@H](Br)c2cc(Br)ccc2OCc2ccccc2)cc1 2336050071 HZNFMHSGDBYOFY-QFIPXVFZSA-N 476.208 6.911 50 10 JKGE Brc1cc(OCc2ccccc2)ccc1[C@@H](Br)C1(c2ccccc2)CC1 2336050389 KGKUOSRJNNUODO-JOCHJYFZSA-N 472.220 7.196 50 10 JKGE Clc1ccc(CC2(CBr)CC3(CCOC3)C2)cc1I 2337227215 HSRVRGCALBTNJJ-UHFFFAOYSA-N 455.561 5.069 50 10 JKGE CN(Cc1ccc(Cl)c(I)c1)C1CCC(CBr)CC1 2337230779 XCDVCUMGVRCLFF-UHFFFAOYSA-N 456.593 5.330 50 10 JKGE CC[C@@H]1OCC[C@@H]1[C@H](Br)c1c(C)cc(Br)c(F)c1Br 2339644958 CZGRYDUBMJBARS-PEXQALLHSA-N 458.991 5.910 50 10 JKGE CC[C@@]1([C@H](Br)c2c(C)cc(Br)c(F)c2Br)CC1(F)F 2339653833 NIOHNUGLPXBXHM-NEPJUHHUSA-N 464.945 6.531 50 10 JKGE Clc1ccc(C[C@@H]2C[C@@H]3CCCC[C@H]3[C@H]2Br)c(I)c1 2341026886 FMTNWPUCBWWIPS-JPYFCXBMSA-N 453.589 6.077 50 10 JKGE Cc1cc(Br)c(C)c([C@@H](Br)[C@@H]2CC[C@H]2C(F)(F)F)c1Br 2358405553 OMQIROZUJGKRMH-KKFJDGPESA-N 478.972 6.853 50 10 JKGE FC(F)Oc1ccc([C@H](Cl)c2ccc(OCc3ccccc3)cc2Br)cc1 2361195829 RYXCBNDPLDOONQ-FQEVSTJZSA-N 453.710 6.958 50 10 JKGE Cc1cc(Br)c(C(C)C)cc1[C@H](Br)c1cccc(OCc2ccccc2)c1 2380947849 WFLQTKZSNFVSQI-XMMPIXPASA-N 488.263 7.944 50 10 JKGE Cc1cc(OCC(=O)NNC(=O)N2c3ccccc3Sc3ccccc32)ccc1Br 13988895 PZRZKYPWAVRXRI-UHFFFAOYSA-N 484.375 5.180 50 10 JKGE O=C(CSc1nc2ccccc2[nH]1)N/N=C/c1ccccc1OCc1cccc(Cl)c1 32520593 XHPYWYQYNHWJDD-DHRITJCHSA-N 450.951 5.038 50 10 JKGE CCCOc1ccccc1/C=C(/C#N)C(=O)Nc1scc(-c2ccc(F)cc2)c1C(=O)OCC 33730076 LQRZKATUDIRIOH-RGEXLXHISA-N 478.545 6.065 50 10 JKGE COc1cc(/C=C(/C#N)c2ccc(F)cc2)c(Br)cc1OCc1ccc(Cl)cc1 33916990 LJSWBZJFMVSCBN-ZDLGFXPLSA-N 472.741 6.893 50 10 JKGE Cc1ccc(N2C(=O)[C@@H](Cc3cccc(C)c3)S/C2=C(/C#N)C(=O)Nc2ccc(F)cc2)cc1 34696749 PHRRKXKRDYQMHO-NLTRVXJZSA-N 471.557 5.508 50 10 JKGE CCc1ccc(O[C@H](C)C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@@H]3c2ccc(C(C)(C)C)cc2)cc1 38649859 VAUPUGUECLTYQX-WHLCRQNOSA-N 496.607 6.138 50 10 JKGE COc1ccccc1[C@H]1C(C#N)=C(N)Oc2cc(OC(=O)Cc3cccc4ccccc34)ccc21 38650043 HYQPBDHJLWQOEY-MUUNZHRXSA-N 462.505 5.215 50 10 JKGE N#CC1=C(N)Oc2cc(OC(=O)C(c3ccccc3)c3ccccc3)ccc2[C@@H]1c1ccc(Cl)cc1 38651430 OHABMHZOHTUHBQ-NDEPHWFRSA-N 492.962 6.296 50 10 JKGE CCCCOc1ccccc1[C@@H]1C(C#N)=C(N)Oc2cc(OC(=O)COc3ccc(C)c(C)c3)ccc21 38682992 NFCKSEZUSCLIEF-LJAQVGFWSA-N 498.579 5.685 50 10 JKGE CCOc1cccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4ccc(C(C)(C)C)cc4)ccc32)c1 38684836 JZRDOSIQTQQOLO-SANMLTNESA-N 468.553 5.820 50 10 JKGE CCCCOc1ccc(C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@H]3c2ccc(OCC)cc2)cc1 38685828 OGNCQUFONZGFKM-MHZLTWQESA-N 484.552 5.702 50 10 JKGE Cc1c(C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@H]3c2ccc(Cl)cc2)oc2ccccc12 38687767 VWBQMDOOKNSTQA-QHCPKHFHSA-N 456.885 5.832 50 10 JKGE Cc1ccc(C(=O)N/N=C2\CCCc3oc(C(=O)Oc4ccc(Cl)cc4Cl)c(C)c32)cc1 40804785 CVEIEOMHIBKPTQ-OVVQPSECSA-N 471.340 5.893 50 10 JKGE COc1ccc(/C=N/NC(=O)[C@@H](C)Oc2ccc(-c3ccccc3)cc2)cc1Br 40959530 JKEQBVCBIQDIGZ-FYHAJLKWSA-N 453.336 5.042 50 10 JKGE C/C(=N\NC(=O)c1ccc(NC(=O)c2cccc(C)c2)cc1)C(c1ccccc1)c1ccccc1 66202570 RYNZCXQOZHGVQN-WEMUVCOSSA-N 461.565 6.185 50 10 JKGE N#C/C(=C/c1ccc(-c2ccc(Cl)cc2)o1)c1nc(-c2ccc(Cl)cc2Cl)cs1 108847179 HQXTYAGIXNMQHD-ZROIWOOFSA-N 457.769 8.094 50 10 JKGE COc1cc(Br)c([C@H](Br)c2cccc(Cl)c2Cl)cc1OC 109860341 FBZMFZIHGUDQER-CQSZACIVSA-N 454.973 6.257 50 10 JKGE Cc1sc(Br)cc1[C@@H](Br)c1ccc(Br)c(C(F)(F)F)c1 124620376 MAKSOXDCCXWKBW-LBPRGKRZSA-N 492.980 7.085 50 10 JKGE Fc1ccc(Br)c([C@@H](Cl)c2cc(Br)c(Br)s2)c1 128156936 LDMAJBHSTNKSFQ-SNVBAGLBSA-N 463.391 6.503 50 10 JKGE CC(C)(C)c1cc(/C=N/NC(=O)c2nn(-c3ccccc3)c3c2CCC3)cc(C(C)(C)C)c1O 169927593 MUGGPLIOGKSPEN-STBIYBPSSA-N 458.606 5.426 50 10 JKGE COc1ccc(CN(Cc2ccc(OC)cc2)C(=O)NC[C@]2(C)C[C@H](N=C=O)CC(C)(C)C2)cc1 170289298 QGXXQUMGVGBPSG-QDPGVEIFSA-N 479.621 5.336 50 10 JKGE COc1cc(/C=C(/C#N)C(=O)NCc2ccccc2)ccc1OCc1ccc(Cl)cc1Cl 209279855 MBODKQZOGPETKV-JAIQZWGSSA-N 467.352 5.804 50 10 JKGE CCCOc1ccc([C@H](Cl)c2ccc(Br)cc2Cl)cc1Br 229004025 KHWZTEGNNZGHTM-INIZCTEOSA-N 453.001 6.982 50 10 JKGE COc1ccc([C@@H](Br)c2ccc(I)c(Cl)c2)cc1Cl 232342568 CMQHGQYDPLPBPS-AWEZNQCLSA-N 471.947 6.091 50 10 JKGE CCOc1ccc([C@H](Cl)c2ccc(F)cc2I)c(Br)c1 233803109 GTSJMUGSQIANIJ-HNNXBMFYSA-N 469.519 5.920 50 10 JKGE COc1ccc(C(=O)Nc2ccc(C(C)=NNC(=O)c3ccc(Cl)cc3Cl)cc2)cc1 252612463 IUAOEZYKKNBRSD-UHFFFAOYSA-N 456.329 5.408 50 10 JKGE Cc1ccc(Cn2c(SCC(=O)NN=Cc3cccc4ccccc34)nc3ccccc32)cc1 254548032 OBNLVMZNSIYKFN-UHFFFAOYSA-N 464.594 5.789 50 10 JKGE Cc1cc(C(=O)NN=Cc2c(-c3ccccc3)n(C)c3ccccc23)c(C)n1-c1ccc(F)cc1 254866847 VBLNTGTZEGOBED-UHFFFAOYSA-N 464.544 6.156 50 10 JKGE Cc1cccc(Br)c1[C@H](Cl)c1cc(Br)sc1Br 310374467 YZJPDQGVOGBZEF-LLVKDONJSA-N 459.428 6.672 50 10 JKGE C[C@@H](Br)C[C@@H]1CCCCN1C(=O)c1cc(Br)c(Br)s1 388135714 NAPLOLLIPJMTGN-BDAKNGLRSA-N 474.056 5.441 50 10 JKGE CC[C@H]1CCC[C@H](Oc2c(Br)cc(Br)cc2CBr)C1 388874037 GCHXKLITXSZPFI-GWCFXTLKSA-N 455.028 6.454 50 10 JKGE Cc1cc([C@@H](Br)c2ccc(I)c(Br)c2)ccc1F 721593695 LCRIEEYTJLPKOH-CQSZACIVSA-N 483.944 5.986 50 10 JKGE Cc1cc([C@@H](Cl)c2ccc(I)c(Br)c2)cc(C)c1F 721603686 NSMKBFAMYRRWRS-AWEZNQCLSA-N 453.520 6.138 50 10 JKGE Cc1c(C=NNC(=O)CC[C@@H](O)c2ccccc2)c2ccccc2n1Cc1ccc(Cl)cc1Cl 1083922042 PPSQJGWIMXBERP-AREMUKBSSA-N 494.422 6.269 50 10 JKGE CCOc1cc(C=NNC(=O)c2cc3ccccc3o2)cc(Cl)c1OCc1cccc(F)c1 1084083857 BZJIUWCBELFOIO-UHFFFAOYSA-N 466.896 5.967 50 10 JKGE C=CCN(c1ccc(C(=O)NN=Cc2ccc(Cl)c(Cl)c2)cc1)S(=O)(=O)c1ccccc1 1084215386 JVRUBKAWKOEBRP-UHFFFAOYSA-N 488.396 5.139 50 10 JKGE COc1cc(C=NNC(=O)c2ccc(-n3c(C)ccc3-c3ccccc3)cc2)cc(Cl)c1OCC#N 1084483254 ZMGYFSVKELSZRM-UHFFFAOYSA-N 498.970 5.781 50 10 JKGE Cc1cc(C=NNC(=O)CC[C@H](O)c2ccccc2)c(C)n1-c1ccc(-c2ccccc2)cc1 1084566663 BVIMTIZZYWJUMJ-NDEPHWFRSA-N 451.570 5.725 50 10 JKGE CCOc1cc(C=NNC(=O)c2ccc(-n3c(C)ccc3-c3ccccc3)cc2)ccc1OC 1084595621 ITTOGGGSTQBWOE-UHFFFAOYSA-N 453.542 5.624 50 10 JKGE C/C(=N/NC(=O)c1cc2ccccc2cc1O)c1ccc2c(c1)[C@@H]1C=CC[C@@H]1[C@@H](c1ccccc1)N2 1615006948 TVKWLAPEUOAAHY-GAHTULAQSA-N 473.576 6.526 50 10 JKGE CCCCc1ccc(NC(=O)c2oc3c(c2C)C(=NNC(=O)c2ccccc2Cl)CCC3)cc1 1772744242 SWUGKLOQEMGZHS-UHFFFAOYSA-N 477.992 6.307 50 10 JKGE Cc1c(C(=O)Nc2nc3ccccc3s2)oc2c1C(=NNC(=O)c1cccc(Cl)c1)CCC2 1772746521 WTONAYCGQNGOPW-UHFFFAOYSA-N 478.961 5.574 50 10 JKGE CCc1nn(Cc2ccc(Cl)c(Cl)c2)c2c1[C@H](c1ccc(Cl)cc1)C(C#N)=C(N)O2 1865683931 QNTCSIWDKAGIAC-LJQANCHMSA-N 459.764 5.672 50 10 JKGE COc1ccc(-n2nc(C(F)(F)F)c3c2OC(N)=C(C#N)[C@H]3c2c(Cl)cccc2Cl)cc1 1865685444 IWPNBWPFRZZXKQ-HNNXBMFYSA-N 481.261 5.425 50 10 JKGE COc1ccc(-c2nn(-c3cccc(Cl)c3)c3c2[C@H](c2ccc(C(C)C)cc2)C(C#N)=C(N)O3)cc1 1865686598 YEHJBAQBUJDUEU-RUZDIDTESA-N 496.998 6.543 50 10 JKGE CCCCOc1ccc([C@@H]2C(C#N)=C(N)Oc3c2c(C(F)(F)F)nn3CC(C)C)cc1OCC 1865687657 XESLHPBZTIZEPA-LJQANCHMSA-N 478.515 5.354 50 10 JKGE CCCCOc1ccc([C@@H]2C(C#N)=C(N)Oc3c2c(-c2ccc(OC)cc2)nn3-c2ccccn2)cc1 1865690244 MKFGHZWSEPIUDX-RUZDIDTESA-N 493.567 5.340 50 10 JKGE CCCOc1ccccc1[C@H]1C(C#N)=C(N)Oc2c1c(C(F)(F)F)nn2Cc1cccc(Cl)c1 1865703206 PUAPTFNUSRJHNH-IBGZPJMESA-N 488.897 5.611 50 10 JKGE CC[C@H](NC(=O)[C@@H](c1ccc(Br)cc1)C(C)C)C(=O)Nc1ccc(SC#N)cc1 1866972559 CMRSJDCZMNKLOH-VQTJNVASSA-N 474.424 5.295 50 10 JKGE CC(C)c1nc(Nc2ccc(SC#N)cc2)cc(N2CCC(Cc3ccc([N+](=O)[O-])cc3)CC2)n1 1868231768 RJVHACYPJBPLMQ-UHFFFAOYSA-N 488.617 6.284 50 10 JKGE CCn1cc(/C=C2\Oc3c(ccc(OCc4cccc(CCl)c4)c3C)C2=O)c2ccccc21 1871437305 QQGDWQLMAOHMLC-WGARJPEWSA-N 457.957 6.904 50 10 JKGE N#C/C(=C(/O)c1ccc2c(c1)C(=O)N(Cc1ccco1)C2=O)c1nc(-c2cccc(Cl)c2)cs1 1872747999 CEOTUXQOAPEPMR-XDOYNYLZSA-N 487.924 5.803 50 10 JKGE CCCCCCCOc1ccc(-c2csc(/C(C#N)=C(\O)c3ccc(OCC(C)C)cc3)n2)cc1 1872753348 SOYVGPZFXPMLAU-SGEDCAFJSA-N 490.669 8.144 50 10 JKGE COc1ccc(/C=C/C(O)=C(\C#N)c2nc(-c3ccc(OC)cc3OC)cs2)c(OC)c1 1872755562 TUPPKVSFRUJLMY-PONLHPBNSA-N 450.516 5.351 50 10 JKGE CCCOc1ccc(C/C(O)=C(\C#N)c2nc(-c3cc(Cl)c(OC)c(Cl)c3)cs2)cc1 1872755880 KMIVLVPSVORSTP-FXBPSFAMSA-N 475.397 6.950 50 10 JKGE CCCCCOc1ccc(/C=C(\C#N)c2nc(-c3ccc(CCCC)cc3)cs2)cc1OC 1872780809 MMQQCIMTMJATQH-JJIBRWJFSA-N 460.643 7.794 50 10 JKGE CCCOc1ccc(-c2csc(/C(C#N)=C/c3ccc(O)c(OCC)c3)n2)cc1OCCC 1872789962 BDDGOJIBEBDAIU-DEDYPNTBSA-N 464.587 6.556 50 10 JKGE CC(C)(C)OC(=O)N1CCC[C@H]1C(=O)N/N=C/c1ccccc1OCc1ccc(Cl)cc1Cl 1873794845 DEUIAKZXVXYVEV-SODVTCOWSA-N 492.403 5.422 50 10 JKGE Cc1cc(Br)c(C)c([C@H](Br)[C@@H]2C[C@H]2Br)c1Br 1897713688 VSVFEGLYXIHJLC-JWKOBGCHSA-N 475.844 6.048 50 10 JKGE Cl[C@@H](c1cc(Br)ccc1OCc1ccccc1)c1ccoc1Br 1899857190 PCNKRKLFLCMRHS-QGZVFWFLSA-N 456.561 6.712 50 10 JKGE FC(F)C(F)(F)[C@@H](Br)c1cc(Br)ccc1OCc1ccccc1 1899858776 XBZRPDXQDGESLB-AWEZNQCLSA-N 456.071 6.365 50 10 JKGE C[C@H](Br)CN(Cc1ccccc1)C(=O)c1cccc(Br)c1Br 1914664610 UQRNBJVIHWHRNV-LBPRGKRZSA-N 490.033 5.637 50 10 JKGE CC[C@@H](Br)CN(Cc1ccccc1)S(=O)(=O)c1ccccc1C(F)(F)F 1915079087 YERFLPDYPQLANX-OAHLLOKOSA-N 450.320 5.070 50 10 JKGE FC(F)(F)c1cnc(N(Cc2ccccc2)[C@H](CCl)C2CC2)c(I)c1 1915151880 MJCADNKINPZBIG-MRXNPFEDSA-N 480.699 5.729 50 10 JKGE CC(C)c1ccccc1[C@H](Br)c1sc(Br)cc1Br 1922880511 DULOEIDRUQDMGY-ZDUSSCGKSA-N 453.037 6.881 50 10 JKGE Clc1cc(Cl)cc([C@H](Br)c2sc(Br)cc2Br)c1 1922935600 RENAINBKKIZNMB-JTQLQIEISA-N 479.846 7.064 50 10 JKGE Fc1ccc([C@@H](Cl)c2c(Br)sc(Br)c2Cl)cc1Br 1923037903 GLUVCEUVRDOKTQ-MRVPVSSYSA-N 497.836 7.156 50 10 JKGE Cc1cc(Br)ccc1[C@@H](Cl)c1c(Br)sc(Br)c1Cl 1923039227 NBSIOIOBCZBPEH-SECBINFHSA-N 493.873 7.326 50 10 JKGE C[C@@H](c1ccncc1Br)[C@H](Br)c1ccc(F)cc1I 1924038818 HQJBLYGKLWKNQU-RTHLEPHNSA-N 498.959 5.828 50 10 JKGE Cc1cccc([C@H](Cl)c2c(Br)sc(Br)c2Br)c1 1924581329 ZQVPDPWGPMPUDH-JTQLQIEISA-N 459.428 6.672 50 10 JKGE CO[C@@H]1C[C@@]2([C@H](Cl)c3c(Br)sc(Br)c3Br)C[C@@H]12 1951252091 XPLONYUTCDOOPX-AYFZAPKBSA-N 465.432 5.741 50 10 JKGE CC(C)(C)[C@H](CBr)CNC(=O)c1cc(Br)c(Br)s1 2029719435 GXQJLMDMZIFENV-SSDOTTSWSA-N 462.045 5.060 50 10 JKGE BrCC(CBr)(Cc1cnsc1)c1cccc(Br)c1 2036529660 JEJMTAXWERFLDK-UHFFFAOYSA-N 454.025 5.176 50 10 JKGE Cl[C@H](c1cc(Br)cs1)c1cc(I)cc2c1OCC2 2052438618 WMVGLUPKTJAVDC-LBPRGKRZSA-N 455.542 5.378 50 10 JKGE Fc1cscc1COc1c(Br)cc(Br)cc1CBr 2061475442 JCSPZUFAEOYAFU-UHFFFAOYSA-N 458.972 5.886 50 10 JKGE FC(F)(F)c1ccc(Cn2nc(C3CCCCC3)cc2CBr)c(Br)c1 2070040918 RNFMKEAPACNDKY-UHFFFAOYSA-N 480.166 6.655 50 10 JKGE Fc1cc(Br)c([C@H](Br)c2cc(Br)cs2)c(F)c1Cl 2081842399 ATEUDSVWUPAXMZ-SECBINFHSA-N 481.381 6.689 50 10 JKGE FC(F)(F)[C@@H]1C[C@@H]1C[C@@H](Br)c1ccc(Br)cc1Br 2083339691 REOZLNLZOZMGHF-BDODKLCJSA-N 450.918 6.236 50 10 JKGE Cc1csc([C@H](Br)c2ccc(Br)c(C)c2Br)c1Cl 2083339931 RQLJOEGKALXJQU-LLVKDONJSA-N 473.455 7.028 50 10 JKGE CCN(C[C@@](C)(CI)O[C@H]1CCCC(F)(F)CC1)C(=O)OC(C)(C)C 2085964445 VZRAMIZGCKMYCF-WMLDXEAASA-N 475.358 5.422 50 10 JKGE CC(C)[C@@H]1CC[C@@H](Br)[C@H](Cc2cccc(Br)c2Br)C1 2092336135 UOCLFAXDCLVNSY-KWCYVHTRSA-N 453.056 6.590 50 10 JKGE Clc1cc(OCc2cccc(Br)c2Br)ccc1CBr 2096974935 MURGBXYZOSQXNA-UHFFFAOYSA-N 469.398 6.339 50 10 JKGE Clc1c(Br)sc(Br)c1[C@H](Br)[C@@H]1CCn2ccnc2C1 2108963240 TWLKXLFKXXARAS-HZGVNTEJSA-N 489.458 5.822 50 10 JKGE CC(C)c1nc(C[C@H](Br)c2ccccc2Br)c(Br)[nH]1 2113441403 HQAAQLSAUDWHBR-NSHDSACASA-N 451.000 5.737 50 10 JKGE C[C@@H](c1cc(Br)cs1)N(C)c1cc(Br)ccc1CBr 2130021239 JDNGIZVXJQYNIN-VIFPVBQESA-N 468.052 6.365 50 10 JKGE Cn1cc([C@@H](Br)c2c(Br)cc(F)c(Cl)c2F)c(Br)n1 2136966010 FTIXWHHCTLXLPA-MRVPVSSYSA-N 479.344 5.361 50 10 JKGE Cc1cc([C@@H](Br)c2ccc(I)c(C)c2)c(C)cc1Br 2142139921 CMEIEABXBGPOJJ-INIZCTEOSA-N 494.008 6.463 50 10 JKGE Cl[C@@H](c1csc(Br)c1Br)c1ccc(Br)c2ccccc12 2150344568 NJPGRXSCPHBLCW-CQSZACIVSA-N 495.461 7.517 50 10 JKGE Cc1cc(Oc2c(CBr)ccc(Br)c2Cl)cc(C)c1Br 2154375074 CSYIBNWHBNPMPM-UHFFFAOYSA-N 483.425 7.169 50 10 JKGE CC[C@H]1CN(C(=O)c2ccc(CBr)cc2)[C@@H](CC)CN1C(=O)OCc1ccccc1 2162916153 PXPOFMJYRDARLT-VXKWHMMOSA-N 473.411 5.233 50 10 JKGE COc1ccc([C@H](Br)c2c(Br)sc(C)c2C)c(Cl)c1Cl 2203427934 KIHFYDVORGNXCG-NSHDSACASA-N 459.030 6.927 50 10 JKGE O=C(c1cc(Cl)ccc1I)N1CCCC[C@@H]1CCCBr 2206673960 CIOBADOIZNLMER-GFCCVEGCSA-N 470.576 5.114 50 10 JKGE Clc1cc(Br)c([C@H](Cl)c2sncc2Br)c(Cl)c1Cl 2217612650 GZNNJKQPNROUHN-VIFPVBQESA-N 470.828 6.957 50 10 JKGE CCOCc1cc(Br)c([C@H](Cl)c2csc(I)c2)s1 2217987905 OTIDMOBBFBREBP-LLVKDONJSA-N 477.614 6.041 50 10 JKGE COc1cc(F)ccc1[C@H](Br)c1cc(Br)sc1Br 2218599782 CDLRPPJJZSRLFI-NSHDSACASA-N 458.972 5.905 50 10 JKGE Cc1c(Br)sc([C@H](Cl)c2cccc(Br)c2Br)c1C 2218779644 FKTDTJQUOSIITD-LLVKDONJSA-N 473.455 6.981 50 10 JKGE Cc1cccc(Br)c1[C@H](Br)c1sc(Br)c(C)c1C 2218792524 XQDYVFWFDFWCAZ-LBPRGKRZSA-N 453.037 6.683 50 10 JKGE COc1ccc(Cl)cc1[C@@H](Br)c1ccc(C)c(I)c1 2224622125 NFWJRNSHLURGLQ-HNNXBMFYSA-N 451.529 5.746 50 10 JKGE Fc1ccc([C@H](Cl)c2cc(I)ccc2Br)c(F)c1F 2225924028 FHKKKWIMZRFESQ-NSHDSACASA-N 461.446 5.799 50 10 JKGE O=[N+]([O-])c1ccc(C[C@H](Br)c2csc(I)c2)c(F)c1 2229140895 OTWDJIGOJRDRAX-JTQLQIEISA-N 456.074 5.079 50 10 JKGE Fc1cc(Br)c(Br)cc1[C@H](Br)[C@]12CCCC[C@H]1OCC2 2233978056 YMGBZXRCTFWQNM-ILXRZTDVSA-N 471.002 6.136 50 10 JKGE COc1cc(Br)c([C@H](Br)c2cc(Br)ccc2Cl)cc1C 2236011075 RVDUOYZPLUAUPY-HNNXBMFYSA-N 483.425 6.666 50 10 JKGE Clc1ccc([C@H](CBr)OCCOCCOCCOCc2ccccc2)cc1 2236088162 CUUXCPYGMQKNJH-NRFANRHFSA-N 457.792 5.043 50 10 JKGE Cc1cc(Br)c([C@H](Br)c2cscc2Br)c(C)c1F 2253513416 QNAMSSXACPNQDJ-GFCCVEGCSA-N 457.000 6.513 50 10 JKGE Cc1cc(Br)c([C@H](Cl)c2csc(Br)c2Br)c(C)c1F 2264496441 WBKJBPVKFMMUQP-LLVKDONJSA-N 491.445 7.120 50 10 JKGE CCc1cc([C@@H](Br)c2c(F)cc(Br)cc2F)sc1Br 2267866007 JGMFYEQXCIWLSJ-GFCCVEGCSA-N 474.990 6.598 50 10 JKGE COc1ccc([C@H](Br)c2scc(Br)c2Br)c(C)c1C 2269119269 QKURQDBLQAYKJE-LBPRGKRZSA-N 469.036 6.383 50 10 JKGE C=CC[C@@]1(CBr)CCCN1Cc1ccc(I)c(Cl)c1 2272106929 WRSBLGUMPVHJQI-HNNXBMFYSA-N 454.577 5.250 50 10 JKGE Fc1cc(Br)c(F)c(Br)c1[C@H](Br)[C@H]1C[C@H]2CC[C@H]1O2 2272730139 BJMYIYRNQKQWIU-HLJYALQUSA-N 460.938 5.493 50 10 JKGE COc1ccc(Br)c2c1nc(CCl)n2CC[C@H](C)N(C)Cc1ccccc1 2286080372 GJFMVYBJVBHHMN-HNNXBMFYSA-N 450.808 5.457 50 10 JKGE Clc1ccc(I)cc1Oc1nc2ccccn2c1CBr 2288251873 HUPTVOBEWLRLTQ-UHFFFAOYSA-N 463.500 5.280 50 10 JKGE Fc1cc(Br)c(F)c(Br)c1[C@H](Br)[C@H]1CC12CC(F)(F)C2 2288483227 HWPHQAAIMWIWJX-MLUIRONXSA-N 480.919 6.361 50 10 JKGE COc1cc(C=C(C#N)C(=O)Nc2cccc3ncccc23)ccc1OCC(=O)Nc1ccc(C)cc1 2293034747 DASVCZHPHITWCQ-UHFFFAOYSA-N 492.535 5.115 50 10 JKGE CCOC(=O)C=Cc1cccnc1N=P(c1ccccc1)(c1ccccc1)c1ccccc1 2293641046 LQRBVSTWBCOVEW-UHFFFAOYSA-N 452.494 5.467 50 10 JKGE COc1cc(C)c(Cl)cc1[C@H](Br)c1cc(Br)cc(Br)c1 2295378239 NUALDTRUKUEJCO-OAHLLOKOSA-N 483.425 6.666 50 10 JKGE CCOC(=O)c1ccsc1NC(=O)C(C#N)=Cc1cccn1Cc1ccc(Cl)cc1Cl 2295672698 UDYWJZNWSXOBDN-UHFFFAOYSA-N 474.369 5.627 50 10 JKGE CCc1ccc(NC(SCc2ccccc2C)=C(C#N)C(=O)NCc2ccc3c(c2)OCO3)cc1 2297414552 ICSUUFDPIPFBQY-UHFFFAOYSA-N 485.609 5.683 50 10 JKGE Brc1ccc(OCc2ccccc2)c([C@@H](Br)[C@H]2C[C@H]3CC[C@H]2C3)c1 2299493958 MMSHVMHCUOSROK-STHPQGGCSA-N 450.214 6.900 50 10 JKGE CC1(C)COC[C@@H]1[C@H](Br)c1ccc(OCc2ccccc2)cc1Br 2299624377 MIYPHOXQSIVKLZ-IEBWSBKVSA-N 454.202 6.137 50 10 JKGE C=CCc1cc(C=C(C#N)C(=O)Nc2cccc(Cl)c2Cl)cc(OCC)c1OCC(=O)OC 2313571240 QNHPSRPFQAFPSU-UHFFFAOYSA-N 489.355 5.218 50 10 JKGE Brc1ccc(OCc2ccccc2)c([C@H](Br)[C@@H]2[C@H]3[C@H]4CC[C@@H](C4)[C@H]32)c1 2314450125 WGBZOINTDSTTFC-CYKJOMKPSA-N 462.225 6.756 50 10 JKGE FCC12CC([C@@H](Br)c3ccc(OCc4ccccc4)cc3Br)(CO1)C2 2314502031 DNGQNDGZKOOHQP-HDYDNRTBSA-N 470.176 5.983 50 10 JKGE CCOC(=O)c1c(NC(=O)C(C#N)=Cc2cc(OC)c(OC)c(OC)c2)sc2c1CC[C@@H](CC)C2 2314571584 IADVZCFKHZKCSB-OAHLLOKOSA-N 498.601 5.011 50 10 JKGE COc1ccc(Cl)cc1C(O)=C(C#N)c1nc(-c2cc(Cl)c(OC)c(Cl)c2)cs1 2331396538 LOCYLACVWGPAQA-UHFFFAOYSA-N 467.761 6.737 50 10 JKGE CCCCOc1ccc(C(O)=C(C#N)c2nc(-c3ccc(OC)c(Cl)c3)cs2)cc1OCC 2331398375 NCBWHWUSGNXUFY-UHFFFAOYSA-N 485.005 7.000 50 10 JKGE CCCCOc1ccc(C=C(C#N)c2nc(-c3ccc(OCCC)cc3)cs2)cc1OCC 2331445253 ZYLZMZLFTBMMPS-UHFFFAOYSA-N 462.615 7.241 50 10 JKGE Cn1cc(Cl)c([C@H](Cl)c2c(Cl)cc(Br)c(F)c2Br)n1 2337086877 QYQSXQODFYAVLC-SECBINFHSA-N 451.348 5.719 50 10 JKGE Cc1cc(Br)c(F)c(Br)c1[C@@H](Br)[C@H]1C[C@@H]2C[C@@H]2CO1 2339648582 MUJAPGCTFRYBBE-PUJIEXKFSA-N 456.975 5.520 50 10 JKGE COc1c(Br)cc(C)c([C@H](Br)CCC2(C)CC2)c1Br 2339657063 UEHPLRWYORNPBA-SNVBAGLBSA-N 455.028 6.545 50 10 JKGE Clc1ccc([C@@H](Br)c2csc3ccccc23)c(I)c1 2340064744 RJDPSMUASPMYQL-OAHLLOKOSA-N 463.565 6.644 50 10 JKGE CCN(C[C@@](C)(CBr)OCc1cc(F)c(Cl)cc1Cl)C(=O)OC(C)(C)C 2349901288 PQWOIWRYUJBADX-GOSISDBHSA-N 473.210 6.060 50 10 JKGE BrC[C@@H](OCc1ccc(I)c(Br)c1)c1ccccc1 2350068540 OMZRZKXCRJSYJN-OAHLLOKOSA-N 495.980 5.707 50 10 JKGE Cc1nn(C)c([C@H](Br)c2c(F)cc(Cl)c(Br)c2Cl)c1Cl 2360484361 RBGJCHFSZRLPSK-SECBINFHSA-N 465.375 6.075 50 10 JKGE Brc1cc(OCc2ccccc2)ccc1[C@H](Br)c1cccc2ccccc12 2361195005 MIOBKEFDPVCTHF-XMMPIXPASA-N 482.215 7.666 50 10 JKGE COc1c(Br)cc(C)c([C@H](Br)[C@@H]2CCC[C@@H]3C[C@H]32)c1Br 2365187601 BTXUVIWJCJIBPH-ZHSDAYTOSA-N 467.039 6.401 50 10 JKGE COc1c(Br)cc(C)c([C@H](Br)C[C@H]2OCC[C@@H]2C)c1Br 2365216221 RVRFKBCFMIFDSE-MKPLZMMCSA-N 471.027 5.780 50 10 JKGE CC1(C)CCC[C@](CBr)(Cc2ccc(Cl)cc2I)CC1 2366729910 PMLINVUJIVMNMS-QGZVFWFLSA-N 469.632 6.859 50 10 JKGE ClCc1nc2cc(Br)ccc2n1CCC12CC(I)(C1)C2 2381354935 DMGKJWKXPAOVJU-UHFFFAOYSA-N 465.560 5.285 50 10 JKGE O=C(/C=C/c1cccc2ccccc12)NC(=S)NNC(=O)c1sc2ccccc2c1Cl 12503483 CLIMTDZRQPFEAV-OUKQBFOZSA-N 465.987 5.057 50 10 JKGE O=C(COc1ccc(-c2ccccc2)cc1Br)NNC(=O)c1ccc(Cl)cc1Cl 14642129 JDGXLGHPSWLFFL-UHFFFAOYSA-N 494.172 5.263 50 10 JKGE O=C(c1ccc(Oc2ccccc2)cc1)[C@@H](Br)[C@@H](Br)c1ccccc1 33353950 YPFAMAILJHNSEM-PMACEKPBSA-N 460.165 6.561 50 10 JKGE N#C/C(=C\c1cc(Br)c(Sc2ccc(Cl)cc2)o1)C(=O)Nc1ccc(F)cc1 33787803 RDZPTBOPFRVOIO-FMIVXFBMSA-N 477.742 6.531 50 10 JKGE COc1cc(-c2cc(C(=O)N/N=C/C=C\c3ccccc3)[nH]n2)ccc1OCc1ccccc1 38168540 CFCFRXDZSTUINP-QEISQQTISA-N 452.514 5.093 50 10 JKGE CC(C)(C)c1ccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)COc4ccccc4)ccc32)cc1 38649714 SQFQJDHLCZVAHR-SANMLTNESA-N 454.526 5.187 50 10 JKGE CCCOc1cccc(C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@@H]3c2cccc3ccccc23)c1 38657885 XYYBTLLHBVZQRW-MUUNZHRXSA-N 476.532 6.066 50 10 JKGE COc1ccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4ccc(C(C)(C)C)cc4)ccc32)cc1OC 38658314 PYWFPUWWWVUCIS-AREMUKBSSA-N 484.552 5.439 50 10 JKGE CCCCOc1cccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)COc4cccc(C)c4C)ccc32)c1 38685201 GIPOCPDIAPEMEQ-GDLZYMKVSA-N 498.579 5.685 50 10 JKGE CCCCCOc1ccccc1[C@H]1C(C#N)=C(N)Oc2cc(OC(=O)c3ccc(Cl)cc3)ccc21 38686019 ITFDAYMWDDURNP-AREMUKBSSA-N 488.971 6.346 50 10 JKGE CCOc1cccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4oc5cc(C)cc(C)c5c4C)ccc32)c1 38701228 BWLOCRDKVNJPKJ-MHZLTWQESA-N 494.547 6.194 50 10 JKGE Cc1c(C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@@H]3c2ccc(C(C)(C)C)cc2)oc2ccc(F)cc12 40530272 LZEFTIKIBGNFMG-AREMUKBSSA-N 496.538 6.615 50 10 JKGE Cc1c(C(=O)N2c3ccc(F)cc3CC[C@H]2C)oc2c1/C(=N/NC(=O)c1ccccc1F)CCC2 40812351 APBYELBLUIREAP-FQRZLYOMSA-N 477.511 5.318 50 10 JKGE Cc1ccc2c(CC(=O)N/N=C3\CCCc4oc(C(=O)NCc5ccccc5)c(C)c43)coc2c1C 40826672 OZPZDDRMOPLFGR-UQRQXUALSA-N 483.568 5.280 50 10 JKGE CCCCOc1ccc(/C=N/NC(=O)CSc2nc(-c3ccccc3)cs2)cc1OC 40924388 MKMODRXBTGDPCA-ZVHZXABRSA-N 455.605 5.240 50 10 JKGE COc1ccc(CNC(=O)/C(C#N)=C/c2ccc(OCc3ccc(Cl)cc3Cl)cc2)cc1 59272335 UFZVYCOMYRVQTD-UDWIEESQSA-N 467.352 5.804 50 10 JKGE CCOC(=O)c1ccc(-c2ccc(/C=N/NC(=O)c3cc4cc(Br)ccc4o3)o2)cc1 59304112 BQYSECXWFYLIQP-DHRITJCHSA-N 481.302 5.396 50 10 JKGE O=C(CCc1ccccc1O)N/N=C/c1ccc(Sc2nc3ccccc3s2)c([N+](=O)[O-])c1 59501642 UJZJSRGMSKUSIN-ZVHZXABRSA-N 478.555 5.144 50 10 JKGE C[C@@H]1CCCC[C@@H]1NC(=O)[C@@H](c1ccccc1Cl)N(Cc1ccc(F)cc1)C(=O)CCl 97914364 HXLLLOCDCJMOMF-XORNHQRDSA-N 465.396 5.483 50 10 JKGE CC(C)OC(=O)CCCc1ccc(SSc2ccc(CCCC(=O)OC(C)C)cc2)cc1 98088265 AGCUESMLBIUOBJ-UHFFFAOYSA-N 474.688 7.035 50 10 JKGE CCCCCCN1C(=O)C(C#N)=C(C)/C(=C\c2cn(-c3ccccc3)nc2-c2ccc(F)cc2)C1=O 101333490 SCYUUPAACOBZEB-KOEQRZSOSA-N 482.559 5.851 50 10 JKGE CC1=C(C#N)C(=O)N(Cc2ccccc2Cl)C(=O)/C1=C/c1ccc(-c2ccc(Cl)cc2)o1 101340831 RGWYNAMQZUJJNB-UDWIEESQSA-N 463.320 6.046 50 10 JKGE C=CCOc1ccc(-c2nn(-c3ccccc3)cc2/C=C(/C#N)C(=O)NCc2ccco2)cc1C 102859660 RGFBBSXTEIFLHC-JWGURIENSA-N 464.525 5.229 50 10 JKGE CC(C)(C)c1ccccc1[C@H](Br)c1cc(Br)ccc1Br 132885817 ZVFMMVZSVJZPEV-INIZCTEOSA-N 461.035 6.993 50 10 JKGE CCc1ccc(CC)c([C@H](Br)c2cc(Br)ccc2Br)c1 161103338 NEYFRTAURSRFNP-KRWDZBQOSA-N 461.035 6.821 50 10 JKGE Brc1ccccc1[C@@H](CI)O[C@H]1CCCc2ccccc21 162080602 QWDMBWUJQSEPSI-ZWKOTPCHSA-N 457.149 6.019 50 10 JKGE CCCOc1ccc(/C=C(/C#N)C(=O)Nc2scc(-c3ccc(CC)cc3)c2C(=O)OC)cc1 206882614 YJYFLEJDDSQTTJ-QNGOZBTKSA-N 474.582 6.099 50 10 JKGE CCCOc1ccccc1/C=C(/C#N)C(=O)Nc1sc2c(c1C(=O)OCC)CC[C@H](C(C)(C)C)C2 206987381 XTLXLJQECFHJGR-YKRMCXMESA-N 494.657 6.410 50 10 JKGE CCCOc1ccccc1/C=C(/C#N)C(=O)Oc1ccc(C(=O)Nc2cc(C)ccc2C)cc1 206990228 SJNGIODSSUYEJU-QJOMJCCJSA-N 454.526 5.857 50 10 JKGE CCCOc1ccc([C@@H](Br)c2cc(Cl)cc(Cl)c2)cc1Br 229007747 KBRLPPIEKTXMLP-MRXNPFEDSA-N 453.001 7.029 50 10 JKGE Brc1ccc(I)cc1[C@@H](Br)c1ccc2c(c1)COC2 232484360 KFQYBTIXRBOXOD-HNNXBMFYSA-N 493.964 5.568 50 10 JKGE Clc1ccc(Cl)c([C@@H](Br)c2cc(Cl)ccc2I)c1 236060230 FLOQHVKWFOAZBU-CYBMUJFWSA-N 476.366 6.736 50 10 JKGE CC(C)CCC[C@@H](C)[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 253530247 RJYDKYCTOASENH-LNANZDKOSA-N 491.200 8.957 50 10 JKGE biogenic CCOc1cc(C=NNC(=O)CNc2cccc3ccccc23)ccc1OCc1ccccc1 254862494 XBBDVBPDLUQUSS-UHFFFAOYSA-N 453.542 5.380 50 10 JKGE COc1c(Br)cc(Cl)cc1[C@@H](Br)c1cccc(OCc2ccccc2)c1 312111154 MMGQQPDNIWBYPV-FQEVSTJZSA-N 496.626 7.174 50 10 JKGE Cc1cc(C(=O)[C@H](C)Cl)c(C)n1-c1cc(I)ccc1Br 312303093 UWKFEZKWMJWYHQ-VIFPVBQESA-N 466.544 5.271 50 10 JKGE Cc1ccc([C@H](Br)c2c(C)cc(C)c(Br)c2C)c(Br)c1 380315373 XKVQVRKZEANTEP-KRWDZBQOSA-N 461.035 6.930 50 10 JKGE Clc1cc2c(c([C@H](Br)c3sccc3I)c1)OCC2 381412815 ZAEOSWZOJRCQAP-NSHDSACASA-N 455.542 5.425 50 10 JKGE C[C@H](Cl)c1nc2cc(I)ccc2n1[C@@]1(C)CCN(Cc2ccccc2)C1 405986380 SQXUVCQGEASDGK-BTYIYWSLSA-N 479.793 5.562 50 10 JKGE Cc1cccc(C(CBr)(CBr)Cc2ccncc2Br)c1 702865049 XFINCXDNTDOXMW-UHFFFAOYSA-N 462.023 5.423 50 10 JKGE C[C@@H]1CN(Cc2ccccc2)C[C@@H]1Cn1c(CCCl)nc2cc(I)ccc21 708576071 VHCOPMZQABAWJN-SJLPKXTDSA-N 493.820 5.190 50 10 JKGE Cc1sc([C@H](Br)Cc2cccc(Br)c2)c(C)c1Br 724928808 RBADKAASRUWLJT-GFCCVEGCSA-N 453.037 6.569 50 10 JKGE COc1cc(/C=C(\C#N)C(=O)NCc2ccccc2)cc(Cl)c1OCc1ccccc1F 1084036330 WKNVMXHHJDJCEG-RGVLZGJSSA-N 450.897 5.290 50 10 JKGE COc1cc(C=NNC(=O)c2cc(Br)ccc2O)ccc1OCc1ccccc1Cl 1084080092 XMYTUZONKIDGNR-UHFFFAOYSA-N 489.753 5.160 50 10 JKGE Cc1cccc(COc2ccc(Br)cc2/C=C(/C#N)C(=O)Nc2cccc(Cl)c2)c1 1084164181 YUAPPAZXWFOVBW-ODLFYWEKSA-N 481.777 6.536 50 10 JKGE CCOc1cc(/C=C(\C#N)C(=O)Nc2c(C)cccc2C)ccc1OCc1ccc(Cl)c(Cl)c1 1084431778 KMFVESDLANMBBS-CIAFOILYSA-N 495.406 7.134 50 10 JKGE N#C/C(=C/c1cn(Cc2ccccc2)c2ccccc12)C(=O)Nc1cc([N+](=O)[O-])ccc1Cl 1084584590 MJKFPTLTCYUSQB-PDGQHHTCSA-N 456.889 5.797 50 10 JKGE Cc1c(Cl)cccc1NC(=O)Oc1c(Br)cc([N+](=O)[O-])cc1Br 1088693637 PIFLPSUCDJSJPN-UHFFFAOYSA-N 464.497 5.693 50 10 JKGE O=C(OCc1ccccc1)N1C[C@@H](CBr)[C@@H](c2ccc([N+](=O)[O-])cc2Br)C1 1614641896 IRQNFHNGVCBTRT-PBHICJAKSA-N 498.171 5.104 50 10 JKGE Cc1cc(OC(=O)c2oc3c(c2C)C(=NNC(=O)c2ccoc2C)CCC3)cc(C)c1Cl 1772749901 ULUNVGTYJZWTHP-UHFFFAOYSA-N 454.910 5.449 50 10 JKGE N#CC1=C(N)Oc2c(c(C(F)(F)F)nn2-c2ccc(Br)cc2)[C@H]1c1cccc(Cl)c1 1865684352 XAXMWJAQEAMOHU-HNNXBMFYSA-N 495.686 5.525 50 10 JKGE CCCc1nn(-c2cccc3ccccc23)c2c1[C@@H](c1ccccc1[N+](=O)[O-])C(C#N)=C(N)O2 1865710465 YQFOEUQFXPZQDS-QHCPKHFHSA-N 451.486 5.104 50 10 JKGE COc1ccc([C@H]2C(C#N)=C(N)Oc3c2c(C(F)(F)F)nn3-c2ccc(Cl)c(Cl)c2)cc1 1865713106 QXTBBAPCHKVYQA-INIZCTEOSA-N 481.261 5.425 50 10 JKGE N#C/C(=C\c1ccccc1)C(=O)Nc1cccc(Nc2ncnc3ccc(Br)cc23)c1 1865911619 UIPZSYHEEPAWNW-GZTJUZNOSA-N 470.330 5.682 50 10 JKGE CCOC(=O)c1c(-c2ccc(C)cc2)csc1NC(=O)/C(C#N)=C/c1ccc(OCCOC)cc1 1866215133 CZINRUAXRQWDPP-RCCKNPSSSA-N 490.581 5.471 50 10 JKGE Cc1ccc([C@H](C(=O)N[C@H](Cc2ccc(O)cc2)C(=O)Nc2ccc(SC#N)cc2)C(C)C)cc1 1866952849 ZKLALEMDPPSYNA-CLJLJLNGSA-N 487.625 5.380 50 10 JKGE Cc1cc(OCc2cccc(CCl)c2)cc2c1C(=O)/C(=C/c1ccccc1Br)O2 1871436881 AHXXYSBXPXCNQN-JJFYIABZSA-N 469.762 6.692 50 10 JKGE CCn1cc(/C=C2\Oc3cc(OCc4cccc(CCl)c4)cc(C)c3C2=O)c2cc(OC)ccc21 1871437047 GYGFZNILRVAMON-PPDIBHTLSA-N 487.983 6.912 50 10 JKGE N#C/C(=C(/O)[C@@H]1CC(=O)N(Cc2ccccc2)C1)c1nc(-c2cccc(Br)c2)cs1 1872745807 DMIUPIBLLWLQQE-LLWUOSFCSA-N 480.387 5.414 50 10 JKGE COc1ccc(-c2csc(/C(C#N)=C(O)/C=C/c3ccc(OCc4ccccc4)cc3)n2)cc1 1872745819 FBBULAVPGAJQEG-WMVKZRARSA-N 466.562 6.904 50 10 JKGE Cc1cc(C)c(C)c(-c2csc(/C(C#N)=C(\O)c3ccc(NS(C)(=O)=O)cc3)n2)c1C 1872754554 YMDSGPXGETURRC-QOCHGBHMSA-N 453.589 5.365 50 10 JKGE Cc1cc(C)c(-c2csc(/C(C#N)=C(\O)c3cc([N+](=O)[O-])c(C)c([N+](=O)[O-])c3)n2)c(C)c1 1872755851 JGNNFEZHNOHZAV-PGMHBOJBSA-N 450.476 5.810 50 10 JKGE COc1ccc(-c2csc(/C(C#N)=C/c3c(OCc4ccccc4)ccc4ccccc34)n2)cc1 1872784696 WHXHIDMUQJLRTM-JJIBRWJFSA-N 474.585 7.615 50 10 JKGE COc1ccc(C)cc1-c1csc(/C(C#N)=C/c2ccc(OCc3ccc(C)cc3)cc2)n1 1872790706 AHWZFSNNJXYJHR-HZHRSRAPSA-N 452.579 7.079 50 10 JKGE COc1ccc(OC)c(-c2csc(/C(C#N)=C/c3ccc(OC(=O)c4ccccc4)cc3)n2)c1 1872791926 YIMIPXVDWVDUPF-XSFVSMFZSA-N 468.534 6.111 50 10 JKGE N#C/C(=C\c1ccccc1OCc1ccccc1Cl)c1nc(-c2ccc3c(c2)OCCO3)cs1 1872792194 KKBKITDYAWKZKW-FYJGNVAPSA-N 486.980 6.878 50 10 JKGE CCOc1cc(/C=C(\C#N)c2nc(-c3ccc(C)c(C)c3)cs2)ccc1OCc1ccccc1 1872793554 GGNHWKUCISOIMS-MFKUBSTISA-N 466.606 7.469 50 10 JKGE CC(C)(CBr)N(Cc1ccccc1)Cc1sccc1I 1888203242 JOSGXVJECKZGDO-UHFFFAOYSA-N 464.210 5.528 50 10 JKGE CCC1(C)CC([C@@H](Br)c2c(Br)sc(Br)c2Cl)C1 1923074223 JBJZIEDEJIIAQQ-BCIJWEBZSA-N 465.476 7.189 50 10 JKGE CC1(C)CC[C@@H](Br)[C@H](CNC(=O)c2scc(Br)c2Br)C1 1927053005 VDLSQRHGGMMNCO-DTWKUNHWSA-N 488.083 5.593 50 10 JKGE Fc1ccc(I)cc1[C@H](Cl)c1c(Cl)sc(Cl)c1Cl 2050468086 SJLXPZLEEYSGCC-QMMMGPOBSA-N 455.934 6.780 50 10 JKGE Cc1c(Br)sc([C@H](Br)c2cc(F)ccc2F)c1Br 2083095173 MYUHTXOFPKHGAE-SNVBAGLBSA-N 460.963 6.344 50 10 JKGE C[C@H](Br)CC(C)(C)CNC(=O)c1c(Br)cccc1Br 2094091197 QCCSPCMMBXRSGS-VIFPVBQESA-N 456.016 5.141 50 10 JKGE FC1(F)C[C@]12CC[C@H]([C@@H](Cl)c1c(Br)sc(Br)c1Cl)C2 2099913780 AOXUGRWVCSLXBC-AODONOJDSA-N 454.989 7.032 50 10 JKGE Brc1cc(Br)c([C@@H](Br)C2CC3(C2)CC2(CCC2)C3)s1 2100922989 VFDTXEGEEHCGGH-LBPRGKRZSA-N 469.080 7.070 50 10 JKGE CC(C)(F)[C@](C)(F)COc1c(Br)cc(CBr)cc1Br 2112678800 QBBWWCLBTWFYCN-CYBMUJFWSA-N 464.970 5.962 50 10 JKGE CCC[C@H](Br)c1cn(Cc2cc(Br)ccc2Br)nn1 2121064661 SIFXCSFRCJVEEM-LBPRGKRZSA-N 451.988 5.088 50 10 JKGE Cc1cc(Br)c(C)c([C@H](Br)[C@@]23CCCC[C@@H]2C3)c1Br 2136366892 MALZHMGIZISAFL-XFBWCDHKSA-N 451.040 6.845 50 10 JKGE COc1cc(F)c([C@@H](Br)c2ccc(I)cc2)cc1Br 2138160737 NFFHMRIJLOITBS-AWEZNQCLSA-N 499.943 5.686 50 10 JKGE Clc1c(Br)sc(Br)c1[C@@H](Br)[C@@H]1C[C@H]2COC[C@H](C2)C1 2141790576 OHBLVLFSDFNGBE-WHQQTDPMSA-N 493.486 6.425 50 10 JKGE C[C@@]1(C(F)(F)F)C[C@]1(CBr)Cc1ccc(I)c(Cl)c1 2142940613 OTEBCRJCVUPOFX-NEPJUHHUSA-N 467.494 5.841 50 10 JKGE Cc1sc(Br)c([C@H](Br)c2cc(Br)c3c(c2)CCO3)c1C 2157253934 ADARPDUYLDNQIO-CYBMUJFWSA-N 481.047 6.309 50 10 JKGE C[C@@H](Cl)c1nc2cc(Br)c(Cl)cc2n1[C@]1(C)CCN(Cc2ccccc2)C1 2160059354 XRMXUGUISAWAGI-SPLOXXLWSA-N 467.238 6.373 50 10 JKGE Brc1cccc([C@H](CI)O[C@@H]2CCOC3(CCC3)C2)c1 2197370592 VLWJPACRCVESHV-CABCVRRESA-N 451.142 5.044 50 10 JKGE Cc1cc(Br)c(C)c([C@@H](Br)Cc2ccc(Cl)cc2)c1Br 2201068197 DGHCYWJBSVJLMM-AWEZNQCLSA-N 481.453 7.161 50 10 JKGE CCc1cc(Br)c([C@H](Br)c2sc(C)c(C)c2Br)s1 2221822304 AKXKICHWZNCUPD-NSHDSACASA-N 473.093 6.998 50 10 JKGE Cc1c(F)cccc1[C@H](Br)c1cc(Br)c(Br)cc1F 2225635566 WFELLRADRXDCMY-AWEZNQCLSA-N 454.934 6.283 50 10 JKGE Cc1cc(Br)c([C@@H](Br)C2(C)CC(F)(F)C2)c(C)c1Br 2227359845 MOZPOSLWDLBNLR-GFCCVEGCSA-N 460.982 6.700 50 10 JKGE Clc1cc(Br)c([C@H](Br)C2[C@H]3[C@H]4CC[C@@H](C4)[C@H]23)c(Cl)c1Cl 2232511563 KOHHDTNVZGZVPD-WAXZLOEISA-N 459.436 7.137 50 10 JKGE Fc1cc(Br)cc2c1nc(CCCl)n2C[C@H]1CCN(Cc2ccccc2)C1 2232920463 POKSTFUCXYQSOC-INIZCTEOSA-N 450.783 5.241 50 10 JKGE Cc1cc(Br)c([C@@H](Br)C2C[C@H]3CCC[C@H](C2)C3)cc1Br 2233632196 YBHNLHMSVQMWLW-PRXAMGSTSA-N 465.067 7.172 50 10 JKGE Cc1cc(Br)c([C@@H](Br)[C@@H](C)c2ccccc2)c(C)c1Br 2235602317 YYGLCWUJNIDMFB-GTNSWQLSSA-N 461.035 7.068 50 10 JKGE Cc1cc(Br)c([C@@H](Br)C[C@@H](C)CC(C)(C)C)c(C)c1Br 2235605773 ULCSJWMGFCQOTL-MFKMUULPSA-N 469.099 7.727 50 10 JKGE CC[C@@H](Br)CN(Cc1ccccc1)C(=O)c1cc(Br)c(F)cc1Cl 2249385381 YKUYAUXBXKGDGP-CYBMUJFWSA-N 477.599 6.058 50 10 JKGE FC1(F)C[C@H]([C@@H](Br)c2c(Cl)sc(Br)c2Cl)C12CCC2 2266146870 MYYMNUOXGJZBAC-IYSWYEEDSA-N 454.989 7.079 50 10 JKGE COc1ccc([C@@H](Br)c2cccc(Cl)c2Br)c(Br)c1 2267978960 CHWVVAJXYNVPFV-CYBMUJFWSA-N 469.398 6.358 50 10 JKGE FC1(F)CC[C@@H]([C@@H](Br)c2c(Br)cc(Cl)c(Cl)c2Cl)C1 2277734107 KAAAUIYREZKFFH-MLUIRONXSA-N 457.367 7.281 50 10 JKGE COc1ccc([C@@H](Cl)c2cc(Cl)ccc2Br)c(Br)c1Cl 2283554356 OFLGILCPJVJXMN-CYBMUJFWSA-N 459.392 6.855 50 10 JKGE Cc1cc(I)ccc1-n1c(CCl)nc2c(Br)cccc21 2283577816 DMSZHPLLNIFZHB-UHFFFAOYSA-N 461.528 5.440 50 10 JKGE C=CC[C@@]1(CBr)CCCCN1Cc1c(Br)cccc1Br 2287720861 DUXBLKZIRKLZJY-INIZCTEOSA-N 466.055 5.907 50 10 JKGE COc1cc(OC)c([C@H](Br)c2c(C)nsc2Br)cc1Br 2295420401 CMQYUYVCRZNUGW-LBPRGKRZSA-N 486.023 5.478 50 10 JKGE CCCCCOc1ccc(C=C(C#N)C(=O)Nc2ncc(Cc3cccc(Cl)c3)s2)cc1 2297019493 KSGPEUQHRCZRBD-UHFFFAOYSA-N 466.006 6.502 50 10 JKGE C[C@@H]1CCC[C@@H]([C@@H](Br)c2ccc(OCc3ccccc3)cc2Br)C1 2299501809 RGISINNLNWVCGG-QLVMHMETSA-N 452.230 7.290 50 10 JKGE CC1(C)C[C@H]1CC[C@@H](Br)c1ccc(OCc2ccccc2)cc1Br 2299534746 HGVUNWAWIQFSKJ-VQIMIIECSA-N 452.230 7.290 50 10 JKGE Cc1ccc([C@@H](Br)c2sc(Cl)cc2I)c(Cl)c1 2300952969 CVMLHGMXYSKVTB-LLVKDONJSA-N 461.977 6.452 50 10 JKGE COc1cc(C=C(C#N)C(=O)Nc2ccc(C)cc2)cc(Cl)c1OCc1cccc(F)c1 2313568459 SRNWLHXXVGPQMQ-UHFFFAOYSA-N 450.897 5.921 50 10 JKGE Cc1ccc([C@H](Br)c2cc(Br)ccc2OCc2ccccc2)c(F)c1 2314449632 RJAPZXYSDLSIQG-NRFANRHFSA-N 464.172 6.960 50 10 JKGE C[C@H]1C[C@H]([C@H](Br)c2ccc(OCc3ccccc3)cc2Br)C[C@@H](C)O1 2314456334 WKQZBZANZOITKC-KJOVKWNASA-N 468.229 6.668 50 10 JKGE COc1ccc(-c2nn(-c3ccccc3)cc2C=C(C#N)c2nc(-c3ccccc3)cs2)cc1 2314487280 HMSSPRAKNFZQHK-UHFFFAOYSA-N 460.562 6.736 50 10 JKGE CCCOc1ccc(-c2nn(-c3ccccc3)cc2C=C2C(=O)N(CC)C(=O)C(C#N)=C2C)cc1C 2314617673 QRQJMSAJGKDUFB-UHFFFAOYSA-N 480.568 5.249 50 10 JKGE CCc1ccc(-c2csc(NC(=O)C(C#N)=Cc3ccc(Cl)cc3)c2C(=O)OC)cc1 2314761275 REMVIDUFWTTXLN-UHFFFAOYSA-N 450.947 5.963 50 10 JKGE CCCCOC(=O)c1ccccc1NC(=O)C(C#N)=CNC(c1ccccc1)c1ccccc1 2325306838 YLXCCSHGDASIQE-UHFFFAOYSA-N 453.542 5.369 50 10 JKGE Cc1cc(NC=C(C#N)C(=O)Nc2ccc(Cl)c(C(F)(F)F)c2)ccc1Br 2325385019 VFWQNYWVXFPINS-UHFFFAOYSA-N 458.665 5.888 50 10 JKGE CCOc1cc(NC(=O)c2ccccc2)c(OCC)cc1NC(=O)C(C#N)=Cc1ccc(Cl)cc1 2329651498 XMOFCDIFXPCBSE-UHFFFAOYSA-N 489.959 5.935 50 10 JKGE CCOC(=O)c1c(-c2ccc(OC)cc2)csc1NC(=O)C(C#N)=Cc1cccc(Cl)c1 2329687297 IXPCLQIHYYFCAR-UHFFFAOYSA-N 466.946 5.799 50 10 JKGE O=C(c1scc(Br)c1Br)N1CC[C@H]2CC[C@@H](Br)[C@@H]1C2 2330966517 JMNFCLFCXQQHMO-MRTMQBJTSA-N 472.040 5.051 50 10 JKGE COC(=O)c1ccc(C=CC(O)=C(C#N)c2nc(-c3ccc(Cl)c(Cl)c3)cs2)cc1 2331311812 AQSCYPSZCPAIJT-UHFFFAOYSA-N 457.338 6.410 50 10 JKGE COc1cc(-c2csc(C(C#N)=C(O)c3ccc(OC)c(OC)c3)n2)c(OC)cc1Cl 2331377233 ZZRUOSZJMLJBRU-UHFFFAOYSA-N 458.923 5.448 50 10 JKGE COc1cc(-c2csc(C(C#N)=C(O)c3c(F)cccc3Cl)n2)c(OC)cc1Cl 2331377618 SYTJHLADIMUFGL-UHFFFAOYSA-N 451.306 6.223 50 10 JKGE COc1cc(OC)c(-c2csc(C(C#N)=C(O)COc3ccccc3OC)n2)cc1Cl 2331381133 MLUNKCNLJYMUPQ-UHFFFAOYSA-N 458.923 5.361 50 10 JKGE COc1cc(C=CC(O)=C(C#N)c2nc(-c3ccc(C)c(C)c3)cs2)cc(Br)c1OC 2331382543 DYNBVVQQCBNHDS-UHFFFAOYSA-N 497.414 6.713 50 10 JKGE COc1cc(C=C(C#N)c2nc(-c3c[nH]c4ccccc34)cs2)ccc1OC(=O)c1ccccc1 2331461891 SJXRNSUROFKHFI-UHFFFAOYSA-N 477.545 6.583 50 10 JKGE CCCCCOc1ccc(C=C(C#N)c2nc(-c3cc(Cl)ccc3OC)cs2)cc1OC 2331491796 NEBVLTJNMWFTER-UHFFFAOYSA-N 469.006 7.114 50 10 JKGE Fc1cc(F)c([C@H](Br)c2c(Br)sc(Br)c2Cl)cc1F 2336121419 ODMFFWRUWKSEOC-QMMMGPOBSA-N 499.371 6.828 50 10 JKGE COc1ccsc1[C@@H](Br)c1c(Cl)cc(Br)c(F)c1Br 2337092205 MZFOKCRWSWHUCV-JTQLQIEISA-N 493.417 6.559 50 10 JKGE Cc1ccccc1[C@H](Br)c1c(Cl)cc(Br)c(F)c1Br 2337112274 CLIIFFCTCDBYRR-LBPRGKRZSA-N 471.389 6.797 50 10 JKGE CC(C)Oc1cccc([C@@H](Br)c2cc(Br)ccc2OCc2ccccc2)c1 2361178311 NEUPNYGMKFAYGY-HSZRJFAPSA-N 490.235 7.300 50 10 JKGE COC1(C(F)(F)F)CC([C@@H](Cl)c2ccc(OCc3ccccc3)cc2Br)C1 2361215606 VCTUZFTUMNAJTM-PJOPYLDSSA-N 463.721 6.666 50 10 JKGE Fc1c(Br)cc(Cl)c([C@H](Br)[C@]23COC[C@H]2C3(F)F)c1Br 2362222111 HBTBIEZQZRSCAK-DADVEIPYSA-N 499.346 5.722 50 10 JKGE CC(C)CO[C@@H]1[C@@H](Br)C[C@H]1OCc1cc(Br)cc(Br)c1 2362241532 XRGYWFHYRFKUFY-RRFJBIMHSA-N 471.027 5.305 50 10 JKGE COc1c(C)cc([C@H](Cl)c2sc(Br)c(C)c2Br)cc1Cl 2362868361 CYAQIIWIUKQIAW-NSHDSACASA-N 459.030 6.880 50 10 JKGE COc1c(Br)cc(C)c([C@H](Br)[C@@]23CCC[C@@H]2CC3)c1Br 2365175120 DCWYTPSNUSPWMM-HPEXNQPKSA-N 467.039 6.545 50 10 JKGE COc1cc([C@@H](Cl)c2c(C)c(Br)cc(C)c2Br)sc1Cl 2365831861 XBSQYQQEGUAEES-CYBMUJFWSA-N 459.030 6.880 50 10 JKGE Fc1cccc([C@H](CBr)OCc2c(Br)cccc2Br)c1 2366145203 OYUIPIDVLUICFP-HNNXBMFYSA-N 466.970 6.004 50 10 JKGE ClCC1(Cc2ccc(I)c(Br)c2)CC2(CCCCC2)C1 2377333499 YRGWPRDGUCAGNZ-UHFFFAOYSA-N 467.616 6.566 50 10 JKGE CC(C)(C)Oc1ccc([C@H](Br)c2ccsc2Br)cc1Br 2381320232 TVDVKVZMNPZFRO-ZDUSSCGKSA-N 483.063 6.935 50 10 JKGE CCOC(=O)c1c(NC(=O)/C(C#N)=C/c2ccc(OC)cc2)sc(C)c1-c1ccc(Cl)cc1 1974838 BWNJLWUXUVOAPK-QGOAFFKASA-N 480.973 6.108 50 10 JKGE N#CC1=C(N)OC2=C(CCC/C2=C\c2cccc(Cl)c2Cl)[C@H]1c1cccc(Cl)c1Cl 2783211 MQUVHUDLROVACQ-YFPIXMDGSA-N 478.206 7.629 50 10 JKGE O=C(CCCC(=O)NN=Cc1ccc(Cl)cc1Cl)NN=Cc1ccc(Cl)cc1Cl 17419914 DMLPHPLQJKSBAU-UHFFFAOYSA-N 474.175 5.071 50 10 JKGE N#C/C(=C/c1ccc(-c2ccc(F)cc2)o1)C(=O)Nc1ncc(Cc2cccc(Cl)c2)s1 33339795 SATPMLGONYALRE-ATVHPVEESA-N 463.921 6.332 50 10 JKGE COc1cc(/C=C(/C#N)c2nc3ccccc3[nH]2)ccc1OCC(=O)Nc1cccc(SC)c1 33548555 HENFABRYIVRHKU-PDGQHHTCSA-N 470.554 5.375 50 10 JKGE Cc1cc(/C=C(/C#N)C(=O)N2CCn3c2nc2ccccc23)c(C)n1-c1cccc(C(F)(F)F)c1 33736888 XQCVOSBSHLXPPL-UYRXBGFRSA-N 475.474 5.416 50 10 JKGE CCOc1cc(/C=N/NC(=O)[C@@H](C)Oc2ccc(Cl)cc2C)ccc1OC(=O)c1ccccc1 33959173 CQUGSAHZOXOBQV-GBYSFBBLSA-N 480.948 5.184 50 10 JKGE CCc1ccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)COc4ccc(C)c(C)c4)ccc32)cc1 38677417 PQIBVTNWLXAFCD-HHHXNRCGSA-N 454.526 5.068 50 10 JKGE Cc1ccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4sc5ccccc5c4Cl)ccc32)o1 38688657 VTHCOZKRWCOTEK-HXUWFJFHSA-N 462.914 5.894 50 10 JKGE N#C/C(=C\c1ccc(-c2cc(Cl)cc(Cl)c2)o1)C(=O)Nc1cccc(Cl)c1Cl 39884624 KPOHQWFNMUGVAZ-XYOKQWHBSA-N 452.124 7.106 50 10 JKGE COc1ccc(C(=O)N/N=C2\CCCc3oc(C(=O)Nc4ccc(Cl)c(Cl)c4)c(C)c32)cc1 40813825 WVGONJLDCYHNHG-TURZUDJPSA-N 486.355 5.626 50 10 JKGE Cc1c(C(=O)N(Cc2ccccc2)Cc2ccccc2)oc2c1/C(=N/NC(=O)c1ccncc1)CCC2 40813983 VLNKGBJUNNHWED-WGPBWIAQSA-N 492.579 5.296 50 10 JKGE COC(=O)c1c(-c2ccccc2)csc1NC(=O)/C(C#N)=C/c1ccc(OCc2ccccc2)cc1 40858886 KAPVWZCITZEUMY-XQNSMLJCSA-N 494.572 6.326 50 10 JKGE COc1cc(/C=N/NC(=O)COc2cccc3ccccc23)ccc1OCc1ccccc1C 40911579 WFUGHEODMJMHSF-STBIYBPSSA-N 454.526 5.265 50 10 JKGE CCCOc1ccccc1/C=C(\C#N)C(=O)Nc1cc(OC)c(NC(=O)c2ccccc2)cc1OC 40949007 WQPVWDCPHLPOGW-RCCKNPSSSA-N 485.540 5.291 50 10 JKGE O=C(Cc1ccc(Cl)cc1)N/N=C/c1cc(Br)ccc1OCc1ccccc1 48572807 IGELNVICRRXNRR-AFUMVMLFSA-N 457.755 5.374 50 10 JKGE Cc1ccc(N/C=C(\C#N)c2nc(-c3ccccc3)c(NC(=O)c3ccc(C)cc3)s2)cc1 103802091 KQGPMYTWPRABEP-OQKWZONESA-N 450.567 6.656 50 10 JKGE Cc1sc2ncn(CC(=O)/C(C#N)=C3/Nc4ccccc4S3)c(=O)c2c1-c1ccc(F)cc1 103908159 JVJQDCDAOFANOG-JWGURIENSA-N 474.542 5.095 50 10 JKGE CCOc1ccc([C@H](Cl)c2cc(Br)sc2Br)cc1OCC 109825526 UPSKQBAUXVVENW-AWEZNQCLSA-N 454.611 6.399 50 10 JKGE Fc1ccc(CC(CBr)(CBr)c2cccc(Br)c2)cc1 118878726 VPGYSYMDGCLRBN-UHFFFAOYSA-N 464.998 5.859 50 10 JKGE CC(C)CCC[C@H](C)[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@@]21C 118920968 RJYDKYCTOASENH-QXFGDZDJSA-N 491.200 8.957 50 10 JKGE Brc1ccsc1[C@H](Br)c1cccc(I)c1 128551023 WGFQKWQMZRKGSB-SNVBAGLBSA-N 457.956 5.600 50 10 JKGE CCCCCCCCCCCCC/C=C/[C@@H](O[Si](C)(C)C(C)(C)C)[C@H](CO)NC(=O)CCC 206561723 HNPHXQSPYSMZTR-LSYHDGNHSA-N 483.854 7.911 50 10 JKGE in-vitro CCCCOc1ccc(/C=C/C(=O)Oc2ccc(/C=C(/C#N)C(=O)NCc3ccco3)cc2)cc1 206690117 IQFIWOFVBROKLB-WAAAWTELSA-N 470.525 5.301 50 10 JKGE C[C@@H]1CCCC[C@@H]1NC(=O)[C@H](c1ccccc1Cl)N(C(=O)CCl)c1ccc(Cl)cc1 230275325 FSIWTYUJPYINQH-PDXHDDNESA-N 467.824 6.001 50 10 JKGE CCCCc1ccc([C@@H](Cl)c2cc(Br)ccc2I)cc1 233043895 ASALLMCXGYBETO-QGZVFWFLSA-N 463.584 6.725 50 10 JKGE Cc1sc(Br)cc1[C@@H](Cl)c1cc(Br)sc1Br 235818149 UJMUUNCOJWRSPV-SECBINFHSA-N 465.457 6.734 50 10 JKGE COc1ccc(OCC(=O)NN=Cc2c(OCc3ccc(F)cc3)ccc3ccccc23)cc1 254747256 YFPVTUNWFAOLRC-UHFFFAOYSA-N 458.489 5.096 50 10 JKGE CC(C)(C)c1cc(C=NNC(=O)c2cc(-c3ccccc3)nc3ccccc23)cc(C(C)(C)C)c1O 254873809 SBTWVDMSHILBSM-UHFFFAOYSA-N 479.624 6.966 50 10 JKGE CCCCc1ccc(OCC(=O)NN=Cc2ccc(OC(=O)c3ccc(OCC)cc3)cc2)cc1 254896786 JBIDPLOLEMPDCN-UHFFFAOYSA-N 474.557 5.176 50 10 JKGE Cc1cccnc1NC(=O)[C@@]12CC[C@@](C(Br)Br)([C@H]1Br)C2(C)C 256019382 YFBCBUARUBLGRB-XFBWCDHKSA-N 495.053 5.014 50 10 JKGE Cc1cc(Br)c([C@@H](Br)c2cc(F)c(Br)cc2F)cc1Cl 312503381 YGHSOPGKCFHHDM-CQSZACIVSA-N 489.379 6.936 50 10 JKGE ClCc1nc2ccc(Cl)cc2n1-c1ccc(Br)c(I)c1 312546114 IQIYSAVANJAMHO-UHFFFAOYSA-N 481.946 5.785 50 10 JKGE COc1cc([C@H](Br)c2cc(Br)oc2C)c(OC)cc1Br 396603945 QTWSYEKPVWFUPA-CQSZACIVSA-N 468.967 5.615 50 10 JKGE Cc1ccc(C[C@@H](CBr)Cc2cc(Cl)ccc2I)cc1 405545442 VYAKCBLLSHKKLT-CQSZACIVSA-N 463.584 6.049 50 10 JKGE CC1(C)CC[C@]2(C(=O)F)CC[C@]3(C)C(=CC[C@@H]4[C@@]5(C)CCC(=O)C(C)(C)[C@@H]5CC[C@]43C)[C@@H]2C1 685945433 OOVYDHKDRHAPSY-FUAOEXFOSA-N 456.686 7.853 50 10 JKGE CO[C@@H]1CCC[C@@H](C(CBr)(CBr)c2cccc(Br)c2)C1 686321688 PHQISGMMSJPAIP-UKRRQHHQSA-N 469.055 5.682 50 10 JKGE CC(C)(CC(F)F)CC(CBr)(CBr)c1ccc(Br)cc1 693976239 ZVODZQNSVVSZMX-UHFFFAOYSA-N 477.025 6.548 50 10 JKGE C[C@@H]1CCCN(Cc2cc(Cl)ccc2I)[C@@H]1CCBr 697260778 ZWKMQANAXLNUFZ-IAQYHMDHSA-N 456.593 5.330 50 10 JKGE COc1cc(C)c(Br)cc1[C@@H](Br)c1ccsc1Br 705013821 XXNKAVQGAFDXLN-LBPRGKRZSA-N 455.009 6.074 50 10 JKGE CCOc1cc(CBr)cc(Br)c1OC[C@@H](C)COCc1ccccc1 719525443 WWTGPMFIGRRZDN-HNNXBMFYSA-N 472.217 5.974 50 10 JKGE Cc1ccc([C@@H](Br)c2cccc(C)c2I)c(C)c1Br 719535616 KWRKFTLCWVNAFR-OAHLLOKOSA-N 494.008 6.463 50 10 JKGE Cc1sc([C@H](Br)c2cc(Cl)cc(Br)c2)c(C)c1Br 724908533 IOTIFXUMGIWMND-GFCCVEGCSA-N 473.455 7.028 50 10 JKGE Cc1sc([C@H](Br)c2cc(Br)ccc2Cl)c(C)c1Br 724910857 WFSHUELPHZMOJA-GFCCVEGCSA-N 473.455 7.028 50 10 JKGE Cc1ccc(-n2c(C)cc(C=NNC(=O)c3ccc(CSc4ccccc4)cc3)c2C)cc1C 1084042837 ROFUESWUBPSDMC-UHFFFAOYSA-N 467.638 6.767 50 10 JKGE COc1cc(/C=C(/C#N)C(=O)Nc2cc(Cl)ccc2C)ccc1OCc1cccc(Cl)c1 1084139592 SQPBQQMNKDXGFE-GRSHGNNSSA-N 467.352 6.435 50 10 JKGE O=C(NN=C(Cc1ccccc1)c1ccc(OC(F)F)cc1)Nc1ccc(OC(F)(F)F)cc1 1088699495 YQNDADXSGVSIDJ-UHFFFAOYSA-N 479.405 5.955 50 10 JKGE CC(C)(C)OC(=O)NCCSSCCNC1CCC2(CC1)CCN(C(=O)OC(C)(C)C)C2 1254873896 SRAZTBPEJPBSED-UHFFFAOYSA-N 489.748 5.052 50 10 JKGE N#CSc1ccc(NC(=O)Oc2cccc3c(NC(=O)c4cccnc4Cl)cccc23)cc1 1858780771 RSJPTLBCHOHMNU-UHFFFAOYSA-N 474.929 6.325 50 10 JKGE COc1ccc(-c2nn(Cc3ccccc3)c3c2[C@H](c2ccc(C(C)(C)C)cc2)C(C#N)=C(N)O3)cc1 1865682254 KHOUXBRCJFMNHC-AREMUKBSSA-N 490.607 6.123 50 10 JKGE CCOc1ccc([C@@H]2C(C#N)=C(N)Oc3c2c(CC)nn3Cc2cc(C)ccc2C)cc1OCC 1865689160 LIJDQGQDQGHRSP-RUZDIDTESA-N 472.589 5.126 50 10 JKGE CCCOc1ccc([C@H]2C(C#N)=C(N)Oc3c2c(-c2ccc(OC)cc2)nn3CCC)cc1OCC 1865691692 YZGRIOXMRHMTFB-DEOSSOPVSA-N 488.588 5.374 50 10 JKGE CCOc1c(OC)cccc1[C@H]1C(C#N)=C(N)Oc2c1c(-c1ccccc1)nn2-c1cccc(Cl)c1 1865694295 WKBZUICSXRQAHM-QHCPKHFHSA-N 498.970 5.818 50 10 JKGE CCc1nn(-c2ccccc2)c2c1[C@@H](c1ccc(OCc3ccc(Cl)cc3)cc1)C(C#N)=C(N)O2 1865695721 RXZPXMQGTVMVMQ-VWLOTQADSA-N 482.971 5.885 50 10 JKGE CCOc1cc([C@H]2C(C#N)=C(N)Oc3c2c(C)nn3CC(C)C)ccc1OCc1ccccc1C 1865702995 KHGLPCIFOSXNRS-SANMLTNESA-N 472.589 5.352 50 10 JKGE CCc1nn(CC)c2c1[C@@H](c1ccc(OCc3ccc(Cl)cc3Cl)c(OC)c1)C(C#N)=C(N)O2 1865703981 KCMVLXKZCGHRDL-QFIPXVFZSA-N 499.398 5.578 50 10 JKGE COc1cccc([C@@H]2C(C#N)=C(N)Oc3c2c(-c2ccccc2)nn3-c2ccc(Cl)cc2)c1 1865712390 XFMRMNOKKIADJO-JOCHJYFZSA-N 454.917 5.419 50 10 JKGE CCCc1nn(-c2ccccc2Cl)c2c1[C@@H](c1ccc(Br)cc1)C(C#N)=C(N)O2 1865714320 HDZOZGYVLJZLCI-IBGZPJMESA-N 469.770 5.459 50 10 JKGE CCOC(=O)c1c(-c2ccc(C)cc2)csc1NC(=O)/C(C#N)=C/c1cccc(Cl)c1 1866129765 KGKPZHAYNIDLTL-WOJGMQOQSA-N 450.947 6.099 50 10 JKGE CCCC[C@@H](NC(=O)Cc1nc(-c2cccc(F)c2)oc1C)C(=O)Nc1ccc(SC#N)cc1 1866658146 LRFRLIQUZNGMHZ-OAQYLSRUSA-N 480.565 5.219 50 10 JKGE N#CSc1ccc(NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@@H](c2ccc(Cl)cc2)C2CC2)cc1 1867002467 ZZIOGXZCAGYTQK-LOSJGSFVSA-N 490.028 5.773 50 10 JKGE COc1ccc2c(c1)CCN(c1cc(Nc3ccc(SC#N)cc3)nc(-c3ccc(C)cc3)n1)[C@@H]2C 1868321082 UKGBAWHQYJSFNT-HXUWFJFHSA-N 493.636 6.901 50 10 JKGE CCCOc1ccc(C/C(O)=C(\C#N)c2nc(-c3ccc(Br)cc3)cs2)cc1 1872746423 HDYKPADRBCJXQE-VZCXRCSSSA-N 455.377 6.397 50 10 JKGE COc1ccccc1-c1csc(/C(C#N)=C(\O)CCCOc2ccc(Cl)cc2Cl)n1 1872746957 HHQJEOIQKWBPFQ-MNDPQUGUSA-N 461.370 6.777 50 10 JKGE CCOc1ccc(-c2csc(/C(C#N)=C(\O)[C@@H]3CC(=O)N(c4c(C)cccc4CC)C3)n2)cc1 1872747533 HTVCSHZRZQMHPY-NTKFOSSBSA-N 473.598 5.925 50 10 JKGE COc1ccc(-c2csc(/C(C#N)=C(\O)COc3c(C)ccc(C)c3C)n2)c(OC)c1OC 1872759231 HTZYAHLFEXJVRV-ZZEZOPTASA-N 466.559 5.633 50 10 JKGE CCCOc1ccccc1/C=C(\C#N)c1nc(-c2ccc(OCCC)c(OCCC)c2)cs1 1872789956 ANUFOGXCDLQCID-CJLVFECKSA-N 462.615 7.241 50 10 JKGE COc1cc(/C=C(\C#N)c2nc(-c3c(C)cc(C)cc3C)cs2)cc(Br)c1O 1872793984 DMGCOIGZDTVWAL-FRKPEAEDSA-N 455.377 6.276 50 10 JKGE COc1cc(Cl)c(C)cc1-c1csc(/C(C#N)=C/c2ccc(OC(=O)c3ccccc3)cc2)n1 1872794147 MFNHCRJUDQOUGQ-DEDYPNTBSA-N 486.980 7.064 50 10 JKGE Cl[C@H](c1cc(Br)ccc1OCc1ccccc1)c1ccoc1Br 1899857189 PCNKRKLFLCMRHS-KRWDZBQOSA-N 456.561 6.712 50 10 JKGE Brc1cc(Br)cc(COCCCCCI)c1 1900368311 VHPWOSUJPARJAR-UHFFFAOYSA-N 461.963 5.334 50 10 JKGE C[C@](CCl)(CI)OCc1c(Br)cccc1Br 1901785970 GXLMMWJAGQDXGM-NSHDSACASA-N 482.381 5.161 50 10 JKGE Clc1sc([C@@H](Br)c2cc(Br)sn2)cc1Br 1909862712 DIZQBVSACUHIKN-ZETCQYMHSA-N 452.418 5.867 50 10 JKGE CC[C@@H](Br)CN(Cc1ccccc1)C(=O)c1cc(Br)cc([N+](=O)[O-])c1 1915097495 WCXMMPQSBIRTEB-OAHLLOKOSA-N 470.161 5.173 50 10 JKGE CC(C)[C@@H](CBr)N(Cc1ccccc1)C(=O)c1cc(F)cc(Br)c1 1915298713 WPJDPDXCQNUBAM-GOSISDBHSA-N 457.181 5.650 50 10 JKGE COc1ccc(C[C@H](Br)c2sc(Br)cc2Br)cc1OC 1922953707 GVPSPAHKUNKRGP-VIFPVBQESA-N 485.035 5.969 50 10 JKGE CC[C@H](C)[C@H](c1ccccc1)[C@H](Br)c1sc(Br)cc1Br 1922953915 ITRXMHZGUNNTIU-VQISRLSMSA-N 481.091 7.539 50 10 JKGE Clc1c(Br)sc(Br)c1[C@@H](Br)CC[C@@H]1CCOC1 1923050120 QMNIFXBGZCIRPU-RQJHMYQMSA-N 467.448 6.179 50 10 JKGE Clc1c(Br)sc(Br)c1[C@@H](Br)C1CCCCC1 1923067537 DSHRGSPCCYCEQV-QMMMGPOBSA-N 451.449 6.943 50 10 JKGE C[C@@H]1O[C@H](C)[C@H]([C@H](Cl)c2c(Br)sc(Br)c2Br)[C@@H]1C 1924590868 MIGJYHFWLMTHMR-YRVBIBJRSA-N 481.475 6.375 50 10 JKGE C[C@]1([C@@H](Br)c2cc(Br)sc2Br)C[C@H]1C(F)(F)F 1950757085 GJMXTOZOSHWHSD-SHRPOTNHSA-N 456.947 6.298 50 10 JKGE CC(C)(C)[C@H](Cl)c1c(Br)c(Br)cc(Br)c1Br 1995048380 PXDQXZPPFVTVQO-SNVBAGLBSA-N 498.278 7.063 50 10 JKGE FC(F)(C1CCCC1)[C@@H](Br)c1cc(Br)c(Br)s1 2012978150 UPDQKHNNJKAIQX-VIFPVBQESA-N 452.984 6.535 50 10 JKGE CCc1sc(Br)cc1[C@H](Br)c1cc(F)cc(Br)c1 2030218530 GVVQXJKLJRRVSP-CYBMUJFWSA-N 457.000 6.459 50 10 JKGE COc1sc([C@@H](Br)c2ccc(Cl)cc2Br)cc1Br 2034628232 CTPFXJHMWBHVEP-NSHDSACASA-N 475.427 6.419 50 10 JKGE COc1ccc([C@H](Br)c2cc(Br)c(C)cc2Br)s1 2034652466 SAIMKLLZRKCIFS-CYBMUJFWSA-N 455.009 6.074 50 10 JKGE CC1=CCCC(C)(C)[C@H]1C=CC(C)=NNC(=O)c1ccc(CSc2nc(C)cc(C)n2)cc1 2040451725 BNOCNIRXTZIFLJ-DEOSSOPVSA-N 462.663 6.430 50 10 JKGE COc1ccc([C@@H](Br)c2cc(Br)c(Cl)s2)c(Br)c1 2052450090 JTCNGEHEETYVSW-LLVKDONJSA-N 475.427 6.419 50 10 JKGE Cl[C@@H](c1c(Br)sc(Br)c1Br)[C@@H]1CCCCC12CC2 2053370084 DPRSKOZBRRFULJ-OIBJUYFYSA-N 477.487 7.286 50 10 JKGE CC1(C)OCCO[C@H]1[C@@H](Br)c1c(Br)sc(Br)c1Cl 2066674165 KATKBFSMGXHZKO-XPUUQOCRSA-N 483.447 5.557 50 10 JKGE CN(CC1CC(Br)C1)C(=O)c1cc(NC(=O)OC(C)(C)C)ccc1Br 2076221307 VMFXANWGEISLMR-UHFFFAOYSA-N 476.209 5.042 50 10 JKGE Cc1cc(Br)c(C)c([C@H](Cl)c2nscc2Br)c1Br 2081070037 HDSIHXXHQWUPSX-NSHDSACASA-N 474.443 6.376 50 10 JKGE COc1c(Cl)cc(Br)cc1[C@@H](Br)c1nscc1Br 2082862440 ZASBEKPLIZBMHA-SECBINFHSA-N 476.415 5.814 50 10 JKGE Cc1ccc([C@H](Cl)c2ccc(Br)cc2Br)cc1Br 2083330131 LGRYEMLQPADRCS-AWEZNQCLSA-N 453.399 6.611 50 10 JKGE CCn1cc([C@H](Cl)c2ccc(Br)cc2Br)nc1Br 2083331932 DWZXVFRXYDXELA-LLVKDONJSA-N 457.391 5.519 50 10 JKGE Br[C@H](c1csc(I)c1)c1ccc(-c2cccs2)s1 2085088507 QGCRKGFLMUBLRX-CYBMUJFWSA-N 467.216 6.627 50 10 JKGE CC(C)(C)C[C@H](CBr)CNC(=O)c1csc(Br)c1Br 2100093956 QCHZIKHEKXLXAH-MRVPVSSYSA-N 476.072 5.450 50 10 JKGE CC(C)(CCl)c1cn(-c2cc(Br)c(Br)c(Br)c2)nn1 2108755530 NXACBIFJGSCUFF-UHFFFAOYSA-N 472.406 5.071 50 10 JKGE COc1cc(C)c(Br)cc1[C@@H](Br)c1nc(C)sc1Br 2113185782 UHMSJMLBBYTHQD-LLVKDONJSA-N 470.024 5.778 50 10 JKGE Fc1cc(Br)ccc1CC[C@H](Br)c1cccc(Br)c1 2113489516 PQILSAFXDJTJGP-AWEZNQCLSA-N 450.971 6.420 50 10 JKGE BrC[C@]1(Cc2ccc(Br)cc2Br)CCCC12CCC2 2116999727 CEMUBWUKPCOVOT-MRXNPFEDSA-N 451.040 6.490 50 10 JKGE CO[C@H]1C[C@H]([C@H](Br)c2cc(Br)ccc2Br)C[C@H]1OC 2118265893 CVZZBNDHGLCGGB-IOEYQFCTSA-N 457.000 5.088 50 10 JKGE O=S(=O)(c1cc(Cl)cc(CBr)c1F)N(Cc1ccccc1)CC(F)(F)F 2123268078 KAOOWQDMDQPHRV-UHFFFAOYSA-N 474.701 5.127 50 10 JKGE Cc1c(Br)ccc([C@@H](Br)C23CC(C)(C2)O[C@H]3C)c1Br 2138874368 VNVBAMQIDJZRET-VXWAXNFESA-N 453.012 5.914 50 10 JKGE CC1(C)CCN(C(=O)c2ccc(Br)cc2Br)C[C@H]1CBr 2148651792 JEBVQHULDVOQIJ-SNVBAGLBSA-N 468.027 5.095 50 10 JKGE C[C@@]1(C2CC2)CN(c2ccc(F)c(Cl)c2CBr)CCN1Cc1ccccc1 2151090951 VCHCVEVUPJIPSH-QFIPXVFZSA-N 451.811 5.865 50 10 JKGE Cc1c(Br)cc(CCl)cc1S(=O)(=O)N(Cc1ccccc1)C1CCCCC1 2152223539 ZZFSLMKSUXZMRK-UHFFFAOYSA-N 470.860 6.020 50 10 JKGE Cc1c(Br)cc(CCl)cc1S(=O)(=O)N(Cc1ccccc1)[C@@H](C)C(C)(C)C 2152242690 LKYHRVWQTLNFIX-INIZCTEOSA-N 472.876 6.122 50 10 JKGE C[C@@H]1CN(Cc2ccccc2)C[C@@H]1Cn1c(CCl)nc2cc(Br)c(Cl)cc21 2159868037 ZJBIHELHNUXKAJ-GDBMZVCRSA-N 467.238 5.959 50 10 JKGE C[C@H](Cl)c1nc2cc(Br)c(Cl)cc2n1C1CCN(Cc2ccccc2)CC1 2160079476 BXSMQCWEAPZIDS-AWEZNQCLSA-N 467.238 6.589 50 10 JKGE C[C@@H](Cl)c1nc2cc(Cl)c(Br)cc2n1C1(CCOCc2ccccc2)CC1 2169012459 VPRSOMYZVDHNJV-CQSZACIVSA-N 468.222 6.848 50 10 JKGE COCC(C)(C)N(Cc1ccccc1)S(=O)(=O)c1cc(Cl)cc(CBr)c1Cl 2179854042 PEIKIFSRIYGZQG-UHFFFAOYSA-N 495.266 5.504 50 10 JKGE CN(CCCCCn1c(CCl)nc2c(Br)cc(F)cc21)Cc1ccccc1 2184085572 AKAVSVCJRNUKIY-UHFFFAOYSA-N 452.799 5.979 50 10 JKGE Fc1cc(Br)c(Br)cc1[C@@H](Cl)c1scc(Cl)c1Cl 2218604903 AXVCICIPTPMYLH-SECBINFHSA-N 453.385 7.047 50 10 JKGE Cc1c(Br)sc([C@H](Br)c2nn(C)c(Cl)c2Br)c1C 2218785811 TVRZQMAWXDGFMK-ZCFIWIBFSA-N 477.447 5.761 50 10 JKGE Cc1sc([C@@H](Cl)c2cc(Br)c(Br)cc2F)cc1Br 2218968199 IJVGJKUANNEDBW-LBPRGKRZSA-N 477.418 6.811 50 10 JKGE Cc1cc(Br)c([C@@H](Cl)c2ccoc2Br)c(C)c1Br 2220151254 FQYZVHBVNUTOSP-LBPRGKRZSA-N 457.387 6.512 50 10 JKGE Fc1ccc2nc(CCCl)n(CCCN(Cc3ccccc3)Cc3ccccc3)c2c1Cl 2220279124 HVCVJHVBCCWWCH-UHFFFAOYSA-N 470.419 6.703 50 10 JKGE Cc1ccc([C@@H](Br)Cc2ccc(Cl)c(Cl)c2)cc1I 2224628824 FPRUMIPGURXFQG-LBPRGKRZSA-N 469.975 6.585 50 10 JKGE CC1(C)CO[C@H](C[C@@H](Br)c2cc(Br)c(Br)cc2F)C1 2225633653 KVNIEMVIZFAHGI-PSASIEDQSA-N 458.991 5.992 50 10 JKGE Cc1sc([C@@H](Br)Cc2ccc(Br)cc2Cl)c(Br)c1C 2229329727 MQSALKVXDNXRQB-NSHDSACASA-N 487.482 7.222 50 10 JKGE CC1(C)CN(C(=O)c2csc(Br)c2Br)C[C@H]1CCBr 2230134602 VDMAWELJXCKBAE-MRVPVSSYSA-N 474.056 5.156 50 10 JKGE O[C@@](CCCl)(c1ccccc1)c1sc(Br)c(Br)c1Br 2230231346 TVYNSOLTUJQVAL-ZDUSSCGKSA-N 489.454 5.900 50 10 JKGE Cc1ccc([C@H](Br)c2c(F)c(F)cc(F)c2F)cc1I 2232833393 MVKVRDCEIGMRDS-LBPRGKRZSA-N 459.018 5.640 50 10 JKGE Cl[C@@H](c1ccc([C@H]2CCOC2)s1)c1ccc(Br)cc1I 2240425698 BSJYYXMDVAZLFV-BJOHPYRUSA-N 483.596 5.947 50 10 JKGE COc1ccc([C@H](Br)c2cc(Cl)c(Br)cc2F)c(Br)c1 2240809525 DYQXMJCAEHCOPL-AWEZNQCLSA-N 487.388 6.497 50 10 JKGE COc1ccc([C@H](Br)[C@H](C)c2ccncc2Br)c(Br)c1 2240825130 JKJKPZZGJTWLGV-RFAUZJTJSA-N 463.995 5.855 50 10 JKGE Clc1sc([C@H](Cl)Cc2cc(Br)cc(Br)c2)cc1Br 2263447044 VCWKMXUNPKNIFQ-SNVBAGLBSA-N 493.873 7.212 50 10 JKGE Cc1cc(Br)c([C@@H](Br)c2scc(Br)c2Cl)c(C)c1F 2264612286 PSPMQHCTEAVKFZ-SNVBAGLBSA-N 491.445 7.167 50 10 JKGE CCN(C[C@](C)(CI)OCC[C@@H]1CCCCC12CC2)C(=O)OC(C)(C)C 2264863900 ZHSLCVWIPVHASK-PXNSSMCTSA-N 479.443 5.814 50 10 JKGE Fc1ccc([C@@H](Br)c2cc(F)c(Br)cc2Cl)cc1Br 2267748899 JRWXOTPFYYNISV-CYBMUJFWSA-N 475.352 6.628 50 10 JKGE Fc1ccc([C@H](Br)c2cc(F)c(Br)cc2Cl)cc1Br 2267748900 JRWXOTPFYYNISV-ZDUSSCGKSA-N 475.352 6.628 50 10 JKGE C[C@]12C[C@]([C@@H](Br)c3c(F)cc(Br)c(F)c3Br)(CO1)C2 2272721347 GYWHDULJCRUPHH-AVGNSLFASA-N 460.938 5.495 50 10 JKGE Cn1ncc([C@H](Cl)c2c(F)cc(Br)c(F)c2Br)c1Br 2272855913 PKKNFZXBSOWBLT-VIFPVBQESA-N 479.344 5.314 50 10 JKGE COc1c(Br)cc(Cl)c(C)c1[C@@H](Br)c1nscc1Br 2277884659 KWEQCMWOWQSTOR-SNVBAGLBSA-N 490.442 6.123 50 10 JKGE CCn1cc(Br)c([C@H](Br)c2cc3sc(Br)cc3s2)n1 2278094477 RMSIRRIWLGUAAA-LLVKDONJSA-N 485.064 6.189 50 10 JKGE COc1cc(Cl)c([C@@H](Br)c2scc(Br)c2Cl)cc1OC 2279286716 GCYPQJDXGAXYPH-LLVKDONJSA-N 461.002 6.319 50 10 JKGE CC[C@@H](C)[C@H](CI)NC(=O)c1cc(Br)cc(C(C)C)c1 2280713668 RSWXCWFESAHHDC-ABAIWWIYSA-N 452.174 5.152 50 10 JKGE COc1ccc(Br)c2c1nc(CCCl)n2[C@@H](C)CN(C)Cc1ccccc1 2286081525 UKQSQYGKVOQIMJ-HNNXBMFYSA-N 450.808 5.282 50 10 JKGE Cc1ccc([C@H](Br)c2c(F)cc(Br)c(F)c2Br)c(C)c1 2288364648 UEPLGHFPLBXUOD-ZDUSSCGKSA-N 468.961 6.591 50 10 JKGE Fc1cc(Cl)c([C@@H](Br)Cc2cc(Br)cc(Br)c2)cc1F 2295265940 XCOOJKIAZOTQKU-NSHDSACASA-N 489.379 6.822 50 10 JKGE COc1c(Br)cc(Cl)cc1[C@@H](Cl)c1cccc(Cl)c1Br 2295278304 AHDSHYOGHQHMDL-ZDUSSCGKSA-N 459.392 6.855 50 10 JKGE COc1ccc([C@@H](Br)c2ccc3scnc3c2)cc1I 2296071316 VDPXVKKCNZPLKP-OAHLLOKOSA-N 460.134 5.394 50 10 JKGE Cc1cccc(C(=O)NN=Cc2cc(Br)ccc2OC(=O)C=Cc2ccccc2)c1 2297454036 XXIPYJMRYOMKSF-UHFFFAOYSA-N 463.331 5.140 50 10 JKGE Cl[C@@H](c1c(Br)sc(Br)c1Br)[C@@]12CCC[C@@H]1CC2 2298695698 LXKQBZYJNPXWEZ-PUQNFTFYSA-N 463.460 6.896 50 10 JKGE Cc1c(Cl)sc(Cl)c1[C@H](Br)c1cc(Br)c(Br)s1 2299542678 LPEILOSEUWZNKH-SSDOTTSWSA-N 499.902 7.434 50 10 JKGE CC1(C)CC[C@H](COC2(CI)CCN(C(=O)OC(C)(C)C)CC2)C1 2302706306 GLSKUIKMGODHAK-HNNXBMFYSA-N 451.389 5.034 50 10 JKGE Fc1cc(Cl)c(Br)c(Cl)c1[C@H](Br)c1cc(Br)cs1 2313751038 YDSBJGDRYQBZSA-SNVBAGLBSA-N 497.836 7.203 50 10 JKGE COc1cc(C=C(C#N)C(=O)Nc2ccc(C(C)C)cc2)ccc1OCC(=O)Nc1ccccc1 2314487621 GPVQPDBIPSIRGO-UHFFFAOYSA-N 469.541 5.382 50 10 JKGE Cc1cccc(C[C@H]2SC(=C(C#N)C(=O)Nc3ccccc3C)N(c3ccc(C)c(C)c3)C2=O)c1 2314592480 VFUQHTGVRVUDPQ-AREMUKBSSA-N 481.621 5.985 50 10 JKGE CC1=C(C#N)C(=O)N(Cc2ccc(F)cc2)C(=O)C1=Cc1ccc(-c2ccc(Cl)cc2Cl)o1 2314621139 ZLCCZNMMMUANIP-UHFFFAOYSA-N 481.310 6.185 50 10 JKGE C[C@]1([C@@H](Br)c2c(Cl)cc(Br)c(F)c2Br)CC1(F)F 2315441529 IIUYLKIGAXWOQG-VHSXEESVSA-N 471.336 6.485 50 10 JKGE CCOc1cc(C=NNC(=O)c2c(C)ccc3ccccc23)ccc1OCc1ccccc1F 2323674763 YLVLOIBTPTVDBW-UHFFFAOYSA-N 456.517 6.029 50 10 JKGE Cc1nc(OCc2ccc(I)c(Br)c2)sc1CCl 2325386139 JPFGVAMAQAWBFE-UHFFFAOYSA-N 458.546 5.136 50 10 JKGE C[C@@H]1CN(CC(C)(C)CI)c2ccccc2CN1C(=O)OC(C)(C)C 2326664784 HRTKGJSLQPSVIP-OAHLLOKOSA-N 458.384 5.093 50 10 JKGE CC(C)OC(=O)c1ccc(C(C#N)=Cc2cc(Br)cc(Br)c2O)o1 2331049731 NOEJWXGWLJDHBV-UHFFFAOYSA-N 455.102 5.140 50 10 JKGE COc1ccc(C=CC(O)=C(C#N)c2nc(-c3ccc(-c4ccccc4)cc3)cs2)cc1OC 2331231856 LJAGFHYFWFETKM-UHFFFAOYSA-N 466.562 7.000 50 10 JKGE CC[C@@H](C)[C@@H](C(O)=C(C#N)c1nc(-c2ccc3ccccc3c2)cs1)N1C(=O)c2ccccc2C1=O 2331239245 XPDZEYOKQPOVCI-NSYGIPOTSA-N 493.588 6.467 50 10 JKGE Cc1ccc(-c2csc(C(C#N)=C(O)c3ccc4c(c3)C(=O)N(Cc3ccco3)C4=O)n2)c(C)c1 2331311240 HKVKBCXCULNFDV-UHFFFAOYSA-N 481.533 5.766 50 10 JKGE CCOc1cc(C=C(C#N)c2nc(-c3cc(OC)ccc3OC)cs2)cc(Br)c1O 2331450480 ODYNZPLTHUZSRZ-UHFFFAOYSA-N 487.375 5.758 50 10 JKGE N#CC(=Cc1ccccc1OCc1ccc(Cl)cc1)c1nc(-c2ccc3c(c2)OCCO3)cs1 2331452154 MJIORKNFLDJIFF-UHFFFAOYSA-N 486.980 6.878 50 10 JKGE CCCCOc1ccc(C=C(C#N)c2nc(-c3cc(OCC)ccc3OCC)cs2)cc1OC 2331470160 NYLYXAAFTORMBM-UHFFFAOYSA-N 478.614 6.859 50 10 JKGE BrCc1cc(Br)cc(Br)c1O[C@@H](CC1CC1)C1CC1 2343839428 GWJCDCXABLFEMB-AWEZNQCLSA-N 453.012 6.064 50 10 JKGE C[C@@H](Br)C12CCC(CC1)N2Cc1ccc(I)c(Br)c1 2349861518 XTYOWUJPVQSERZ-CKQAKLJMSA-N 499.028 5.334 50 10 JKGE Cc1nn(C)c([C@H](Cl)c2c(F)cc(Cl)c(Br)c2Cl)c1Br 2360487151 RJFYUZNKWIYWTE-LLVKDONJSA-N 465.375 6.028 50 10 JKGE O=[N+]([O-])c1ccc(Oc2cc(Br)cc(Br)c2)c(CBr)c1 2364231910 FTVQWFOMVUHGQW-UHFFFAOYSA-N 465.923 5.807 50 10 JKGE COc1cccc([C@H](Br)CCc2ccc(Cl)cc2I)c1 2366710597 QGKOXSLNIJQGQS-OAHLLOKOSA-N 465.556 6.022 50 10 JKGE Cc1ccc(Cn2c(SCC(=O)NN=Cc3c[nH]c4ccccc34)nc3ccccc32)cc1 2326169 XZHVXFXWUMTQHH-UHFFFAOYSA-N 453.571 5.117 50 10 JKGE COc1ccc(-c2nn(-c3ccccc3)cc2/C=C(\C#N)C(=O)Nc2ccccc2Cl)cc1OC 3308762 AEPKXLUSSRZQKS-XMHGGMMESA-N 484.943 5.756 50 10 JKGE CCSc1ccsc1[C@@H]1C(C#N)=C(N)N(c2ccc(Cl)c(Cl)c2)C2=C1C(=O)CCC2 9981386 XQLPLFJIKWJROY-LJQANCHMSA-N 476.454 6.472 50 10 JKGE COc1cccc2cc(-c3nn(-c4ccccc4)cc3/C=C(/C#N)C(=O)N3CCCCC3)oc12 33515857 AWDDORWOYCZAEF-HKWRFOASSA-N 452.514 5.214 50 10 JKGE C/C(=N/NC(=O)c1sc2cc([N+](=O)[O-])ccc2c1Cl)c1ccc(NC(=O)c2ccoc2C)cc1 35112230 HBKUPGGVZWTOLU-ZRGSRPPYSA-N 496.932 5.771 50 10 JKGE CC(C)c1ccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)COc4cccc(Cl)c4)ccc32)cc1 38649679 ZDQCYWTYETUZKJ-AREMUKBSSA-N 474.944 5.666 50 10 JKGE CCCCOc1ccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)COc4cccc(C)c4C)ccc32)cc1 38650847 JXKAIPMXJUACSC-GDLZYMKVSA-N 498.579 5.685 50 10 JKGE CC(C)c1ccc(OCC(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@H]3c2cccc3ccccc23)cc1 38657915 AKQDETHITTVLTB-PMERELPUSA-N 490.559 6.166 50 10 JKGE N#CC1=C(N)Oc2cc(OC(=O)c3cc([N+](=O)[O-])ccc3Cl)ccc2[C@H]1c1cccc2ccccc12 38657978 PJOVHMVBFBGJOM-RUZDIDTESA-N 497.894 5.839 50 10 JKGE COc1cc(/C=C(\C#N)c2nc(-c3cccs3)cs2)ccc1OCC(=O)Nc1nccs1 39842892 HEWXAOBYHUNXOS-OQLLNIDSSA-N 480.596 5.418 50 10 JKGE Cc1c(C(=O)Nc2ccc(Cl)cc2Cl)oc2c1/C(=N/NC(=O)c1cccc(Cl)c1)CCC2 40813270 YPNIBNPBIISNIL-MTDXEUNCSA-N 490.774 6.271 50 10 JKGE Cc1cc(Br)cc([C@@H](Br)c2cc(Cl)c(Br)cc2F)c1 97895660 NBYZOZWMAMCIPW-CQSZACIVSA-N 471.389 6.797 50 10 JKGE CCc1ccc(N2C(=O)[C@H](Cc3ccccc3C)S/C2=C(/C#N)C(=O)Nc2ccc(C)cc2)cc1 101245888 JOVWXLPXLPQYOD-HFVAWESISA-N 481.621 5.931 50 10 JKGE CCOc1ccc(-c2csc(/C(C#N)=C/Nc3ccc(C(=O)OCCN(CC)CC)cc3)n2)cc1 102462236 MMOSYVYJEXOYNT-RELWKKBWSA-N 490.629 5.684 50 10 JKGE Clc1cccc(Cl)c1[C@H](Br)c1cc2c(cc1Br)OCCO2 109865660 DZUBGYDCGRMUAF-OAHLLOKOSA-N 452.957 6.011 50 10 JKGE COc1cc(Br)c(O[C@H]2C[C@H](Br)C23CCCCC3)cc1Br 118819479 LSKXMJVGHVUFKN-GJZGRUSLSA-N 483.038 6.085 50 10 JKGE FC(F)(F)c1cc([C@H](Cl)c2cc(Cl)c(Br)s2)ccc1Br 124624490 CEMSNRBIJWPKRP-JTQLQIEISA-N 468.947 7.274 50 10 JKGE COc1cc([C@@H](Br)c2cc(Br)sc2Br)ccc1F 134214269 PCIKQRCNGISOHR-LLVKDONJSA-N 458.972 5.905 50 10 JKGE C[C@H](CCC=O)[C@H]1CC[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@@]21C 196450995 SJKYBZKXRMDCDB-NXUCFJMCSA-N 472.830 8.571 50 10 JKGE CCCCCCOc1ccc(/C=C(/C#N)C(=O)Nc2nc(-c3ccccc3)cs2)cc1OC 206204726 GXWFIWRDYZXVSW-QNGOZBTKSA-N 461.587 6.323 50 10 JKGE CCOC(=O)/C(C#N)=C\c1cccc(OC(=O)/C=C\c2ccc(OCc3ccc(C)cc3)cc2)c1 206745101 LUUXCCBPBBMSGY-BTYDHXOYSA-N 467.521 5.663 50 10 JKGE CCCCN1C(=O)C(C#N)=C(C)/C(=C/c2cn(-c3ccccc3)nc2-c2cccc(OCCC)c2)C1=O 214227566 GVKFGVBBKQYNOI-ITYLOYPMSA-N 494.595 5.720 50 10 JKGE Clc1sc([C@@H](Br)c2cccc(Br)c2Cl)cc1Br 227849842 OYEQDZXRYUGPQQ-VIFPVBQESA-N 479.846 7.064 50 10 JKGE O=[N+]([O-])c1ccc(C[C@@H](Br)c2cc(Br)cc(Br)c2)cc1 232476631 XZBVEWNLWYBLHO-CQSZACIVSA-N 463.951 5.799 50 10 JKGE Brc1cc2c(c([C@H](Br)c3csc(Br)c3)c1)OCC2 232484120 FZXUPGDYOWXDPU-GFCCVEGCSA-N 452.993 5.692 50 10 JKGE COc1cc(F)c(Br)cc1[C@@H](Br)c1ccc(Br)cc1F 234864281 ISVPIWALXPSNHZ-AWEZNQCLSA-N 470.933 5.983 50 10 JKGE COc1ccc(OC)c([C@@H](Br)c2ccc(Br)cc2Br)c1 234962209 NFBUWYBSHMOTOR-HNNXBMFYSA-N 464.979 5.713 50 10 JKGE CCN(CC)c1c(/C=N/NC(=O)CCCNc2ccc(Cl)cc2)c(C)nn1-c1ccccc1 253563486 FMENHMAZPWZILC-MTDXEUNCSA-N 467.017 5.023 50 10 JKGE CCOc1ccc2nc(Sc3ccc(C=NNC(=O)c4cccc(OC)c4)o3)sc2c1 254448112 KVSCLBAHJAGOSJ-UHFFFAOYSA-N 453.545 5.212 50 10 JKGE CCn1c(SCC(=O)NN=C/C=C\c2ccccc2[N+](=O)[O-])nnc1-c1ccc(C(C)(C)C)cc1 254714670 AYSYCPRDRPZIIG-GCFOIQHNSA-N 492.605 5.078 50 10 JKGE O=C(NC[C@H]1CCC[C@@H](CBr)C1)c1cc(Br)sc1Br 311977789 NZKOARGYIQNIHE-BDAKNGLRSA-N 474.056 5.204 50 10 JKGE Fc1ccc(Cl)cc1[C@@H](Br)c1scc(C(F)(F)F)c1Br 312802050 IZMXJTZVLMGFLU-SECBINFHSA-N 452.492 6.806 50 10 JKGE Fc1cc(Br)ccc1[C@H](Br)c1scc(C(F)(F)F)c1Br 380231472 LTOGXQHYKLNZNQ-VIFPVBQESA-N 496.943 6.915 50 10 JKGE Fc1cc2c(cc1Br)nc(CCCl)n2[C@@H]1CCCN(Cc2ccccc2)C1 382745877 SVYBGGWVJZDJQW-MRXNPFEDSA-N 450.783 5.556 50 10 JKGE Cc1cc(Br)c([C@@H](Cl)c2cnn(C)c2Br)cc1Br 394109005 GTBKFBPQTWZGRL-LLVKDONJSA-N 457.391 5.344 50 10 JKGE Cc1cc(F)c([C@@H](Cl)c2cc(Br)ccc2I)cc1C 395924015 VDZRDFNBVRWLIJ-OAHLLOKOSA-N 453.520 6.138 50 10 JKGE Cc1c(Br)cccc1[C@H](Br)c1c(Br)cc(F)c(F)c1F 398647791 APRKKMKSTMIZJG-LBPRGKRZSA-N 472.924 6.422 50 10 JKGE CC(C)(C)[Si](C)(C)OCCc1cccc([C@H]2COCCN(CCO[Si](C)(C)C(C)(C)C)C2)c1 616664592 YLTHEMJFLSYXAL-RUZDIDTESA-N 493.881 6.689 50 10 JKGE Brc1cc2c(c([C@H](Br)c3ccc(OCc4ccccc4)cc3)c1)OCCC2 688366583 ZGCDOBGULPPAFH-JOCHJYFZSA-N 488.219 6.837 50 10 JKGE O=C(NC[C@@H]1CCC[C@@H](CBr)C1)c1scc(Br)c1Br 705420411 RVZKRZYDKWHWFS-RKDXNWHRSA-N 474.056 5.204 50 10 JKGE Cc1ccnc2c1nc([C@H](C)Cl)n2CC1(N(Cc2ccccc2)Cc2ccccc2)COC1 705781901 FLISWTHMMFVPTA-NRFANRHFSA-N 461.009 5.511 50 10 JKGE CCOc1ccc([C@H](O)CCC(=O)NN=Cc2cc(C)n(-c3cccc(Cl)c3)c2C)cc1 1083995619 GTAFVEVJWVWALI-XMMPIXPASA-N 453.970 5.110 50 10 JKGE O=C(NN=C(CSc1nc2ccccc2o1)c1ccc2ccccc2c1)c1cccc([N+](=O)[O-])c1 1084001072 FXOOVGWCTAKVMN-UHFFFAOYSA-N 482.521 5.816 50 10 JKGE COc1cc(C=NNC(=O)c2ccc(C)cc2)cc(Br)c1OCc1ccc(Cl)cc1 1084254483 AVQBDEQUPMXAFQ-UHFFFAOYSA-N 487.781 5.762 50 10 JKGE Cc1ccccc1NC(=O)/C(C#N)=C\c1cn(Cc2ccc(Br)cc2)c2ccccc12 1084277865 UPUPBQCSVIXHNX-ZHZULCJRSA-N 470.370 6.306 50 10 JKGE Cc1ccc(CSCC(=O)NN=Cc2cc(C)n(-c3ccc(Cl)c(Cl)c3)c2C)cc1 1084480592 SEPKETJTROEHSO-UHFFFAOYSA-N 460.430 6.093 50 10 JKGE CCCCOc1ccc([C@@H]2CN(C(=O)OCc3ccccc3)C[C@H]2CI)cc1 1614620367 YYIKISGXSHQELB-IRLDBZIGSA-N 493.385 5.653 50 10 JKGE COc1ccc(C)cc1NC(=O)c1oc2c(c1C)C(=NNC(=O)c1cccc3ccccc13)CCC2 1772748145 NSOQMBICTJEVAO-UHFFFAOYSA-N 481.552 5.781 50 10 JKGE Cc1cc(OC(=O)c2oc3c(c2C)C(=NNC(=O)Cc2ccccc2)CCC3)cc(C)c1Cl 1772749272 JZPNWJKODKABGG-UHFFFAOYSA-N 464.949 5.477 50 10 JKGE COc1ccc(-n2nc(-c3ccccc3)c3c2OC(N)=C(C#N)[C@H]3c2ccccc2Cl)cc1 1865686541 XKKIHRXRNAUPBY-JOCHJYFZSA-N 454.917 5.419 50 10 JKGE CCCOc1cccc([C@H]2C(C#N)=C(N)Oc3c2c(-c2ccccc2)nn3-c2ccc(C)cc2)c1 1865693150 HRFYHDKEFSFHBU-VWLOTQADSA-N 462.553 5.855 50 10 JKGE CCCOc1cccc([C@H]2C(C#N)=C(N)Oc3c2c(CC)nn3Cc2ccc(Cl)c(Cl)c2)c1 1865693489 JYSRFGCMMPGSJP-QFIPXVFZSA-N 483.399 5.808 50 10 JKGE N#CC1=C(N)Oc2c(c(C(F)(F)F)nn2Cc2c(F)cccc2Cl)[C@@H]1c1ccc(F)cc1F 1865701659 AYHNXQKJFFQFNH-MRXNPFEDSA-N 484.787 5.239 50 10 JKGE CCCc1nn(Cc2ccc(Cl)c(Cl)c2)c2c1[C@H](c1ccc(F)cc1)C(C#N)=C(N)O2 1865707963 KKCVBFUHGXODDN-HXUWFJFHSA-N 457.336 5.548 50 10 JKGE COc1ccc(-c2nn(-c3ccc(Cl)cc3)c3c2[C@@H](c2ccc(C(=O)O)cc2)C(C#N)=C(N)O3)cc1 1865709123 OHVWDOPGHZGVQA-QFIPXVFZSA-N 498.926 5.118 50 10 JKGE CCCc1nn(-c2ccc(Cl)c(Cl)c2)c2c1[C@@H](c1ccc(OC)cc1)C(C#N)=C(N)O2 1865715110 WGWCAEFOWCIMIF-FQEVSTJZSA-N 455.345 5.358 50 10 JKGE C[C@@H](NC(=O)C[C@@H](c1ccc(F)cc1)c1cccc(F)c1)C(=O)Nc1ccc(SC#N)cc1 1866773627 VQFMOWLKPCLPII-MWTRTKDXSA-N 465.525 5.203 50 10 JKGE N#CSc1ccc(Nc2cc(N3CCN(c4ccccc4)C(=O)C3)nc(-c3ccccc3)n2)cc1 1868365885 XHIVBFNVLDDDTD-UHFFFAOYSA-N 478.581 5.314 50 10 JKGE COc1ccc(-c2c(C)c3ccc(OCc4cccc(CCl)c4)cc3oc2=O)cc1OC 1871437320 ROSXQPSEDDATLC-UHFFFAOYSA-N 450.918 6.103 50 10 JKGE Cc1ccc(-c2csc(/C(C#N)=C(O)/C=C/c3ccc(OCc4ccccc4Cl)cc3)n2)cc1 1872749424 QQVCWFBBRBDVMH-ZCXHTZCTSA-N 485.008 7.857 50 10 JKGE CCCOc1ccc(-c2csc(/C(C#N)=C(\O)[C@@H](C)Oc3ccc(Cl)cc3Cl)n2)cc1 1872750085 VYTICDNDFCVWJL-FSXJBPCSSA-N 475.397 7.166 50 10 JKGE CCCCCCCOc1ccc(-c2csc(/C(C#N)=C(O)/C=C/c3ccc(F)cc3)n2)cc1 1872753310 QQIRALMKTSPAAD-WOSXIMIYSA-N 462.590 7.804 50 10 JKGE CC(C)c1ccc(O[C@H](C)/C(O)=C(\C#N)c2nc(-c3ccc(Oc4ccccc4)cc3)cs2)cc1 1872754039 ZMPMLZUNBCJHHC-OXNJYFPOSA-N 482.605 7.986 50 10 JKGE Cc1cc(C)c(C)c(-c2csc(/C(C#N)=C(\O)CNC(=O)c3ccc(Cl)cc3Cl)n2)c1C 1872754185 HCZDXVLARFOYKJ-UZYVYHOESA-N 486.424 6.573 50 10 JKGE CCc1cccc(CC)c1N1C[C@@H](/C(O)=C(\C#N)c2nc(-c3ccc(C)c(C)c3)cs2)CC1=O 1872756669 UZEWLCFNBNHYGY-PCRNYRQLSA-N 471.626 6.398 50 10 JKGE CCCCCCOc1c(Br)cc(/C=C(\C#N)c2nc(C(C)C)cs2)cc1OC 1872791868 WILNADAGTZIXEH-LICLKQGHSA-N 463.441 7.061 50 10 JKGE C[C@@](F)(CO[C@@H](CI)c1cccc(Br)c1)C(F)(F)F 1876650251 CRZNLWYUKNUFQM-WDEREUQCSA-N 455.027 5.232 50 10 JKGE Cc1ccc([C@H](Br)c2sc(Br)c(C)c2Br)cc1F 1922944866 AHVWUDNFMPWASX-NSHDSACASA-N 457.000 6.513 50 10 JKGE C[C@@H](c1ccncc1Br)[C@@H](Cl)c1ccc(Br)cc1Br 1924044134 SUQRQIVCLXJSST-RMLUDKJBSA-N 468.414 6.453 50 10 JKGE C[C@H]1C[C@H]([C@H](Cl)c2c(Br)sc(Br)c2Br)C[C@@H](C)O1 1924612696 CPNRYUJMKSTNTG-XIVUIJJLSA-N 481.475 6.519 50 10 JKGE C[C@@H]1C[C@@]1(C)[C@H](Br)c1c(Br)sc(Br)c1Br 1924614354 YDMJJXFPSBANJC-XMRAEQSQSA-N 481.873 6.518 50 10 JKGE Clc1sc(Br)c(Cl)c1[C@@H](Br)C1(Br)CCC1 1960907407 VISHBTOXMZJWFG-ZCFIWIBFSA-N 457.840 6.571 50 10 JKGE Cc1cc([C@@H](Br)c2sc(Br)cc2Br)sc1Cl 1978955868 MSSLLIPMSICKGC-MRVPVSSYSA-N 465.457 6.781 50 10 JKGE COc1sc([C@@H](Br)c2ccc(Br)c(C)c2)cc1Br 2034629533 NXRCRRHVPFAPRB-LBPRGKRZSA-N 455.009 6.074 50 10 JKGE Brc1cc2c(c([C@H](Br)c3cc(Br)sn3)c1)OCC2 2056496051 LASPPVGRYAZOGR-NSHDSACASA-N 453.981 5.087 50 10 JKGE CCCCCc1ccc([C@@H](Br)c2cc(I)sn2)s1 2076629009 WCJFWMVRFRQRQB-ZDUSSCGKSA-N 456.212 6.026 50 10 JKGE Cc1ccccc1[C@H](N[S@@](=O)C(C)(C)C)c1ccccc1P(c1ccccc1)c1ccccc1 2080760126 JTIQRCCAEXVYNU-DODOAAEWSA-N 485.633 5.894 50 10 JKGE Cc1c(Br)ccc([C@H](Br)C[C@@H](C)C(F)(F)F)c1Br 2083323527 XGPZFGCGFHGEEX-LHLIQPBNSA-N 452.934 6.545 50 10 JKGE COc1c(C)cc(Br)cc1[C@@H](Br)c1sccc1Br 2085641687 GJCUIWSIEXRNGD-LLVKDONJSA-N 455.009 6.074 50 10 JKGE Cc1cc(Br)ccc1S(=O)(=O)N(Cc1ccccc1)[C@H](CBr)C(C)C 2085731368 NHMYOLQLUGCQME-GOSISDBHSA-N 489.273 5.368 50 10 JKGE Brc1cc([C@H](Br)c2ccc(OCc3ccccc3)cc2)cc2c1OCC2 2090471761 ZVPSSZFKIJOPTC-OAQYLSRUSA-N 474.192 6.447 50 10 JKGE C[C@@H]1CCC[C@H]1CC(CBr)(CBr)c1cccc(Br)c1 2093455483 WHWVMUHFNLEQSN-OLZOCXBDSA-N 453.056 6.303 50 10 JKGE ClCc1nc2cc(I)ccc2n1Cc1cscc1Br 2097798605 JFHISDBLNSOBGY-UHFFFAOYSA-N 467.557 5.252 50 10 JKGE Brc1cccc(C[C@H]2CCCCCCC[C@@H]2Br)c1Br 2112482592 CORXTGKCRJGJHO-OCCSQVGLSA-N 453.056 6.878 50 10 JKGE Cc1cc(Br)c(C)c([C@@H](Br)[C@@H]2C(C)(C)C2(F)F)c1Br 2136374978 QPRDYGDWGDTKHF-VXGBXAGGSA-N 460.982 6.556 50 10 JKGE Fc1cccc(C(CBr)(CBr)Cc2cc(Br)sn2)c1 2139778369 APJUJVXVDIQTPA-UHFFFAOYSA-N 472.015 5.315 50 10 JKGE CCCc1nsc(COc2c(Br)cc(CBr)cc2Br)n1 2158914614 PPSUICYZFRDMMU-UHFFFAOYSA-N 485.039 5.490 50 10 JKGE Cn1nc([C@@H](Cl)c2scc(C(F)(F)F)c2Br)c(Br)c1Cl 2167050337 KIQMSSBRXIAOFL-ZCFIWIBFSA-N 472.939 6.007 50 10 JKGE Cc1c(Cl)cc([C@H](Br)c2cc(S(C)(=O)=O)cs2)cc1Br 2167381892 BUKIDBIJQOVJQT-ZDUSSCGKSA-N 458.624 5.360 50 10 JKGE Cc1c(Br)sc([C@H](Br)Cc2ccc3c(c2)CCO3)c1Br 2168663741 VBWFBEUILBFBNK-LLVKDONJSA-N 481.047 6.195 50 10 JKGE C[C@@H]1C[C@@H](n2c(CCl)nc3cc(Br)c(Cl)cc32)CN(Cc2ccccc2)C1 2184259788 CZZNXUCZAOTNGL-GDBMZVCRSA-N 467.238 6.274 50 10 JKGE FC(F)[C@@H]1CN(Cc2ccccc2)C[C@H]1n1c(CCl)nc2cccc(Br)c21 2193247735 WHMALPVCJHGXPB-RHSMWYFYSA-N 454.746 5.476 50 10 JKGE Cc1cc(Br)c(C)c([C@@H](Br)CC2CC3(CCC3)C2)c1Br 2201070009 YHRAYIDIQRBKNG-AWEZNQCLSA-N 465.067 7.235 50 10 JKGE Cc1cccc([C@@H](Br)c2c(C)c(Br)cc(C)c2Br)c1C 2201070456 BRJPLCCJCSNGKY-QGZVFWFLSA-N 461.035 6.930 50 10 JKGE CCc1nc([C@@H](Br)c2ccc(OC)c(Cl)c2Cl)c(Br)s1 2203432760 JOOJLOJYPOTQTH-VIFPVBQESA-N 460.018 6.268 50 10 JKGE Brc1ccc([C@@H](Br)c2cccc3c2CCCC3)c(Br)c1 2203682119 CPMQDXXLZOGSLZ-KRWDZBQOSA-N 459.019 6.575 50 10 JKGE COc1cc(F)c(F)cc1[C@@H](Cl)c1cc(I)ccc1Br 2204493708 XTJVXFSAXNAYPM-AWEZNQCLSA-N 473.482 5.669 50 10 JKGE Clc1cc(CN2CCC3(CCC3)[C@@H](CBr)C2)ccc1I 2208035107 BWFLVYAFHZWTNS-ZDUSSCGKSA-N 468.604 5.332 50 10 JKGE Cc1ccc([C@@H](C)[C@H](Br)c2cc(Br)sc2Br)cc1 2223968033 IGARTVDSEQDMBB-RNCFNFMXSA-N 453.037 6.821 50 10 JKGE Cc1cc(Br)c([C@H](Br)[C@@](C)(F)C(C)(C)F)c(C)c1Br 2227349169 BOUTUDQTKCNADB-GXTWGEPZSA-N 462.998 6.741 50 10 JKGE Clc1cc(Br)ccc1C[C@H](Cl)c1cc(Br)cc(Br)c1 2229141187 CMEPLXHMECWRJG-ZDUSSCGKSA-N 487.844 7.150 50 10 JKGE Brc1ccc(Br)c(CN2C[C@@H](Br)CC23CCCC3)c1 2232260892 KSVGCTOIKQWVOU-ZDUSSCGKSA-N 452.028 5.494 50 10 JKGE Fc1cccc([C@H](Br)c2c(Br)cc(Cl)c(Cl)c2Cl)c1Cl 2232511724 LICGATSCCGLUCD-JTQLQIEISA-N 481.801 7.686 50 10 JKGE COc1c(C(C)C)cc(Br)cc1[C@@H](Br)c1cc(Br)sn1 2233165602 LKCHEEQAMFZQEV-CYBMUJFWSA-N 484.051 6.284 50 10 JKGE Cc1ccc(Br)cc1[C@H](Cl)c1c(Br)cc(C)c(Br)c1C 2235603795 KUJGAIYZERSICC-INIZCTEOSA-N 481.453 7.228 50 10 JKGE Fc1cc(F)c([C@@H](Cl)c2cccc(Br)c2Br)c(F)c1Br 2236103804 USHWQEIUKGTNPQ-LBPRGKRZSA-N 493.342 6.720 50 10 JKGE O=C(c1cc(Br)c(Br)s1)N1C[C@@H]2CCCC[C@]2(CBr)C1 2238793030 ZFSATGHMFCWYGF-XPTSAGLGSA-N 486.067 5.300 50 10 JKGE Cc1ccc([C@H](Br)c2sc(C)c(C)c2Br)c(Br)c1 2253503243 DHVUIMGJNMLFRF-ZDUSSCGKSA-N 453.037 6.683 50 10 JKGE Clc1ccc([C@H](Br)c2cc3sccc3s2)cc1I 2256334978 DTPZOCJDIMTULJ-ZDUSSCGKSA-N 469.594 6.705 50 10 JKGE CC1(C)C[C@]1(Cl)[C@@H](Br)c1c(F)cc(Br)c(F)c1Br 2260072261 ZTKHZJONCJOCLJ-JQWIXIFHSA-N 467.373 6.333 50 10 JKGE COc1ccc([C@@H](Br)c2scc(Br)c2Cl)c(Cl)c1Cl 2264606256 YQJIFFWIODEGQJ-MRVPVSSYSA-N 465.421 6.964 50 10 JKGE CCc1cc([C@@H](Br)c2cc(Br)ccc2OC)sc1Br 2267764685 IOUMWWJOHSBKHE-ZDUSSCGKSA-N 469.036 6.328 50 10 JKGE COc1ccc([C@@H](Br)c2ccc(Cl)c(I)c2)cc1F 2268278224 GGYMLNAWBFGUGK-CQSZACIVSA-N 455.492 5.577 50 10 JKGE COc1cc(C)c(Br)c(C)c1[C@@H](Br)c1nscc1Br 2269600257 LVVYUSOOBCKRIZ-GFCCVEGCSA-N 470.024 5.778 50 10 JKGE Cc1sc(Br)cc1[C@@H](Cl)c1c(F)cc(Br)c(F)c1Br 2272843238 SDLCYHMSMPKLJF-LLVKDONJSA-N 495.408 6.950 50 10 JKGE Cc1cc(Br)c([C@H](Br)[C@@H]2CCC(F)(F)C2)c(C)c1Br 2277734490 MWTCQTMZVDAYHC-NOZJJQNGSA-N 460.982 6.700 50 10 JKGE Cc1c(Br)sc([C@@H](Cl)Cc2cc(Br)cc(Br)c2)c1C 2277889713 AKQPYAGTUMTJKN-LBPRGKRZSA-N 487.482 7.175 50 10 JKGE Brc1cc(Br)cc(C[C@H](Br)C[C@@H]2CCC23CCC3)c1 2277966998 XKGUOECHUCQDAJ-STQMWFEESA-N 451.040 6.488 50 10 JKGE CCOc1ccc([C@H](Cl)c2ccc(Cl)c(I)c2)cc1Br 2283575833 YWHLMMXBGDCVED-HNNXBMFYSA-N 485.974 6.434 50 10 JKGE CCc1cc([C@@H](Br)c2ccc(Cl)c(I)c2)c(F)cc1F 2283576721 KAOKIMKBEKTRMW-HNNXBMFYSA-N 471.510 6.270 50 10 JKGE COc1ccc([C@H](Br)c2ccc(Br)cc2Br)c(C)c1C 2284587561 CNFIGNWTNRCUQU-INIZCTEOSA-N 463.007 6.321 50 10 JKGE COc1ccc([C@H](Br)C2(C)CC(C(F)(F)F)C2)cc1I 2284995403 AGUWOSKQIVUGEL-YHECAPGISA-N 463.075 5.714 50 10 JKGE COc1cc(C)c(Br)c(C)c1[C@@H](Br)c1cc(Cl)sc1Cl 2285089985 MKJDMDCKDRUIRK-ZDUSSCGKSA-N 459.030 6.927 50 10 JKGE COc1ccc(Br)c2c1nc([C@H](C)Cl)n2[C@@H](C)CCOCc1ccccc1 2286086557 ZKHIEKFGGFSVFW-GJZGRUSLSA-N 451.792 6.275 50 10 JKGE N#CC(=Cc1ccc(-c2cc(C(F)(F)F)ccc2Cl)o1)C(=O)Nc1ccc(Br)cc1 2293038447 CTLWSPYZLCHLMV-UHFFFAOYSA-N 495.682 6.927 50 10 JKGE Clc1ccc(Br)cc1COc1c(Cl)cc(CBr)cc1Cl 2296310402 JEEQHLSNGJRDGD-UHFFFAOYSA-N 459.392 6.883 50 10 JKGE CCCOc1ccc(-c2nn(-c3ccccc3)cc2C=C(C#N)C(=O)NCc2cccnc2)cc1C 2296729535 WNHZNSLSHFTDIA-UHFFFAOYSA-N 477.568 5.255 50 10 JKGE N#CC(=CNc1cc(C(F)(F)F)cc(C(F)(F)F)c1)S(=O)(=O)c1ccc2ccccc2c1 2297564432 YMXVKBJVTVJGIL-UHFFFAOYSA-N 470.394 6.128 50 10 JKGE COc1cccc(C=C(C#N)C(=O)Nc2cccc3ccccc23)c1OCc1cccc(Cl)c1 2313676856 QCVVPYXQJXDBHF-UHFFFAOYSA-N 468.940 6.626 50 10 JKGE Brc1cc(OCc2ccccc2)ccc1[C@H](Br)[C@@H]1CCCC2(CC2)C1 2314456135 USIJDNFEUHPFPZ-DYESRHJHSA-N 464.241 7.435 50 10 JKGE CCCOc1cccc(-c2nn(-c3ccccc3)cc2C=C(C#N)C(=O)NC2CCCCC2)c1 2314476475 PDNANEFXVRXOLR-UHFFFAOYSA-N 454.574 5.684 50 10 JKGE N#CC(=C(O)c1ccccc1C(=O)c1ccc(Cl)cc1)c1nc2cc(C(F)(F)F)ccc2s1 2314482987 MGHGRPTUCIEUFD-UHFFFAOYSA-N 484.886 7.149 50 10 JKGE Brc1ccc(OCc2ccccc2)c([C@@H](Br)[C@@H]2C[C@@H]3CCC[C@@H]3C2)c1 2314492170 VLWLZNUPNGNNNU-FBAVSBLXSA-N 464.241 7.290 50 10 JKGE CC(C)[C@@H]1CCC[C@@H]1[C@H](Br)c1ccc(OCc2ccccc2)cc1Br 2314500401 NCGSKNRCRVRNGL-IPJJNNNSSA-N 466.257 7.536 50 10 JKGE CCOc1ccc(N2C(=O)[C@H](Cc3ccc(CC)cc3)SC2=C(C#N)C(=O)Nc2ccccc2)cc1 2314592326 QXMOFKVLGDBWSC-SANMLTNESA-N 497.620 5.713 50 10 JKGE CC1=C(C#N)C(=O)N(Cc2ccccc2Cl)C(=O)C1=Cc1ccc(OCc2ccc(F)cc2)cc1 2314619973 IHDJFNXWQDQPMJ-UHFFFAOYSA-N 486.930 5.851 50 10 JKGE CCc1nn(C)c([C@@H](Br)c2sc(Cl)cc2I)c1Cl 2316600168 BKACYIHCVOWJBV-MRVPVSSYSA-N 479.996 5.440 50 10 JKGE Cc1cccc(Oc2cc(Br)cc(I)c2)c1CBr 2316757185 BVWUCKPSERIIIX-UHFFFAOYSA-N 481.953 6.049 50 10 JKGE N#CC(=CN1CCN(c2cccc(Cl)c2)CC1)C(=O)Nc1ccc(Oc2ccccc2)cc1 2325141412 OXIRSAQTYPORKJ-UHFFFAOYSA-N 458.949 5.300 50 10 JKGE FC(F)(F)[C@H]1C[C@@H]([C@H](Br)c2ccc(Br)cc2Br)C1 2327683340 YXWGRHCEDBHDFY-CVJICSNFSA-N 450.918 6.236 50 10 JKGE Brc1cc(Br)c([C@H](Br)[C@H]2C[C@@H]3CCCCCC[C@@H]32)s1 2329821841 NVTPGBABSJCNHU-AYGWYOGXSA-N 471.096 7.316 50 10 JKGE CCOc1cc(C=C(C#N)c2ccc(Cl)cc2F)ccc1OCc1ccc(Br)cc1 2331063870 JTXFMJKBCBUMSA-UHFFFAOYSA-N 486.768 7.283 50 10 JKGE CCCCCCOc1ccc(C(O)=C(C#N)c2nc(-c3ccc(OC)c(OC)c3)cs2)cc1 2331242366 UFZFVXIAKZRHRL-UHFFFAOYSA-N 464.587 6.736 50 10 JKGE CCc1ccc(-c2csc(C(C#N)=C(O)[C@H]3CC(=O)N(c4c(C)cccc4CC)C3)n2)cc1 2331245636 FCIFTDDQRVMVNH-NRFANRHFSA-N 457.599 6.089 50 10 JKGE CCc1cccc(CC)c1N1C[C@@H](C(O)=C(C#N)c2nc(-c3ccccc3OC)cs2)CC1=O 2331282023 UBRJFXZTMQTVHL-IBGZPJMESA-N 473.598 5.789 50 10 JKGE CCOc1ccc(-c2csc(C(C#N)=C(O)c3cc([N+](=O)[O-])cc([N+](=O)[O-])c3C)n2)cc1 2331305902 KLBHUDYAOBWGRA-UHFFFAOYSA-N 452.448 5.284 50 10 JKGE CCCOc1ccc(-c2csc(C(C#N)=C(O)CNC(=O)c3ccc(Cl)cc3)n2)cc1 2331315883 CKVSDBXIHVYVRS-UHFFFAOYSA-N 453.951 5.475 50 10 JKGE CC(C)[C@H](C(O)=C(C#N)c1nc(-c2cccc3ccccc23)cs1)N1C(=O)c2ccccc2C1=O 2331339300 VRUCQEJBMGOKCF-XMMPIXPASA-N 479.561 6.077 50 10 JKGE Cc1cc(C)c(C)c(-c2csc(C(C#N)=C(O)[C@H]3CC(=O)N([C@H](C)c4ccccc4)C3)n2)c1C 2331364549 KNIWOTOJHQHMSN-IRLDBZIGSA-N 471.626 6.446 50 10 JKGE COc1ccc(-c2csc(C(C#N)=C(O)c3cc([N+](=O)[O-])c(C)c([N+](=O)[O-])c3)n2)c2ccccc12 2331408270 QRZUXESGHUGIQD-UHFFFAOYSA-N 488.481 6.047 50 10 JKGE COc1cc(Cl)c(C)cc1-c1csc(C(C#N)=Cc2cc(Br)cc(OC)c2O)n1 2331474199 MPJMEKYLIDFPHE-UHFFFAOYSA-N 491.794 6.321 50 10 JKGE FC1(F)C[C@H]([C@@H](Br)c2ccc(OCc3ccccc3)cc2Br)C12CCC2 2336045719 YPOMJNZSDMNWAA-MJGOQNOKSA-N 486.194 7.290 50 10 JKGE Brc1ccc(OCc2ccccc2)c([C@@H](Br)c2ccc3c(c2)CCO3)c1 2336046553 FLDJRZVHSCSXDU-QFIPXVFZSA-N 474.192 6.447 50 10 JKGE CO[C@@H]1C[C@@]2([C@@H](Br)c3c(Cl)cc(Br)c(F)c3Br)C[C@@H]12 2337094772 SNPDZUQWULCYLY-LVUPCCEUSA-N 477.393 5.865 50 10 JKGE Cc1ccccc1[C@@H](Br)c1c(C)cc(Br)c(F)c1Br 2339673933 GIIYIKHWZPQBFQ-CYBMUJFWSA-N 450.971 6.452 50 10 JKGE CCC[C@H](O[C@]1(CI)CCCN(C(=O)OC(C)(C)C)C1)c1ccccc1 2340541419 LSYBJARPEPSDCO-RXVVDRJESA-N 473.395 5.749 50 10 JKGE C[C@@]1(C(F)(F)F)C[C@]1(CBr)Cc1ccc(Cl)cc1I 2341050482 NTHXPCNZOZGQKG-NEPJUHHUSA-N 467.494 5.841 50 10 JKGE Fc1cc(CBr)ccc1OCc1ccc(I)c(Br)c1 2349804577 FFEVOSGKBADWGN-UHFFFAOYSA-N 499.943 5.667 50 10 JKGE Cl[C@H]1CN(Cc2ccc(I)c(Br)c2)CC2(CCC2)C1 2349849639 BUHPQTNDKYKMMC-GFCCVEGCSA-N 454.577 5.037 50 10 JKGE FC(F)(F)[C@H]1C[C@@H]([C@@H](Br)Cc2cc(Br)cc(Br)c2)C1 2352739278 HNLOFXHSJJCLMJ-SBMIAAHKSA-N 464.945 6.106 50 10 JKGE FC(F)Oc1ccc([C@@H](Cl)c2ccc(OCc3ccccc3)cc2Br)cc1 2361195830 RYXCBNDPLDOONQ-HXUWFJFHSA-N 453.710 6.958 50 10 JKGE C[C@](CBr)(OCc1cc(Br)cc(Br)c1)c1ccccc1 2362240223 OIXYELRTEMWTRC-MRXNPFEDSA-N 463.007 6.039 50 10 JKGE COc1cc(Cl)c(CBr)c(N2CCCC[C@H](N(C)Cc3ccccc3)C2)c1 2365809894 KXZDOMHJRAFOMY-SFHVURJKSA-N 451.836 5.734 50 10 JKGE COc1ccc2nc(N(/N=C/c3ccc([N+](=O)[O-])o3)C(=O)c3ccc(Cl)s3)sc2c1 9629586 ONWYKJAPUVERLG-AWQFTUOYSA-N 462.896 5.202 50 10 JKGE CC(C)c1ccc(OCC(=O)N/N=C/c2ccc(-c3ccccc3)cc2)c(Br)c1 14017114 NWAQPRIOJZWVKO-CVKSISIWSA-N 451.364 5.769 50 10 JKGE CCc1cccc(CC)c1N/C(SCc1cccc(C)c1)=C(/C#N)S(=O)(=O)c1ccccc1 20325444 XUFDGMPYHHQMQO-IMVLJIQESA-N 476.667 6.632 50 10 JKGE CCCCOc1ccc(/C=C(\C#N)C(=O)Nc2sc(C)c(-c3ccccc3)c2C(=O)OCC)cc1 33346616 SLVBLCSNEOTGHY-OQKWZONESA-N 488.609 6.625 50 10 JKGE CCOc1cc(/C=C(/C#N)C(=O)Nc2cccc(C(F)(F)F)c2)ccc1OCc1ccccc1F 33424036 VJDNESFGDCWKFD-UNOMPAQXSA-N 484.449 6.368 50 10 JKGE N#C/C(=C/c1ccc(-n2nc(-c3ccccc3)cc2-c2ccccc2)cc1)c1nc2ccccc2s1 33568611 XATUEDBUKGPJJN-PLRJNAJWSA-N 480.596 7.880 50 10 JKGE CCCCOC(=O)c1c(NC(=O)/C(C#N)=C\c2cn(C)c3ccccc23)sc2c1CCCC2 33897018 DWXCSIHDVNAYNO-VKAVYKQESA-N 461.587 5.621 50 10 JKGE COc1cc(/C=C(\C#N)c2nn(-c3ccccc3)c(N)c2C#N)ccc1OCCc1ccccc1 35168285 SLGUQWFVVAUJMH-CJLVFECKSA-N 461.525 5.020 50 10 JKGE Cc1ccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)COc4ccc(C(C)C)cc4)ccc32)cc1 38649279 MJLBFZVTXSZDLE-MHZLTWQESA-N 454.526 5.321 50 10 JKGE CSc1ccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)Cc4ccc(Cl)cc4)ccc32)cc1 38682598 LGSJKIQAZQBVMC-DEOSSOPVSA-N 462.958 5.428 50 10 JKGE COc1ccccc1[C@H]1C(C#N)=C(N)Oc2cc(OC(=O)c3sc4ccccc4c3Cl)ccc21 40530299 XDZBYNPKOZFXGP-JOCHJYFZSA-N 488.952 6.001 50 10 JKGE Cc1cccc(C(=O)N/N=C2\CCCc3oc(C(=O)Nc4cccc5ncccc45)c(C)c32)c1 40811421 GBVGKDNOAOECCS-JBASAIQMSA-N 452.514 5.167 50 10 JKGE Cc1ccc(Cn2cc(/C=N/NC(=O)c3cc4cc(Br)ccc4o3)c3ccccc32)cc1 59304752 PMWRBRDNSDOOEW-CCVNUDIWSA-N 486.369 6.271 50 10 JKGE CC[C@H](Br)C(=O)Nc1c(Br)cc(Br)cc1Br 61487767 BRGKQYYOCOPTPN-LURJTMIESA-N 478.804 5.086 50 10 JKGE COc1cc(C)c(Br)cc1[C@@H](Br)c1cc(F)cc(Br)c1 115867278 VYWDHWSANMVUDS-HNNXBMFYSA-N 466.970 6.152 50 10 JKGE Fc1cc(Br)cc(C[C@H](CBr)c2cccc(Br)c2)c1 125113976 PUBKALLUECROTR-GFCCVEGCSA-N 450.971 6.072 50 10 JKGE Cc1cc(C)c([C@@H](Br)c2cc(Br)c(C)cc2Br)c(C)c1 128777988 MELSCCPHRJBRQX-KRWDZBQOSA-N 461.035 6.930 50 10 JKGE C[C@@H](Cl)c1nc2cc(F)c(Br)cc2n1-c1ccc(I)cc1 158513238 HOMCVSOVHIWNIQ-MRVPVSSYSA-N 479.518 5.832 50 10 JKGE CC(C)Oc1ccc(/C=N\NC(=O)c2ccc3[nH]c4c(c3c2)CCCC4)cc1Br 169890127 YJXJEUFJMYOJSL-MXAYSNPKSA-N 454.368 5.360 50 10 JKGE Cc1cc(I)ccc1NC(=O)/C(C#N)=C\NC(c1ccccc1)c1ccccc1 217253777 AULGDVFDWKISFA-SILNSSARSA-N 493.348 5.325 50 10 JKGE Cc1ccc(N/C=C(/C#N)C(=O)Nc2ccc(I)cc2C)c(Br)c1 217254300 CFVSOOAIAWWGSL-RAXLEYEMSA-N 496.146 5.129 50 10 JKGE Brc1cc([C@H](Br)[C@@H]2C[C@@H]2c2ccccc2)sc1Br 227022173 CDVKPLVVYWAMGP-GIPNMCIBSA-N 451.021 6.513 50 10 JKGE Fc1cccc([C@H](Br)c2cc(Br)c(Cl)s2)c1Br 227847017 GCMFHTJLTCXMIG-JTQLQIEISA-N 463.391 6.550 50 10 JKGE BrCc1cc(Br)c(OCCc2ccsc2)c(Br)c1 232484656 AIKOYMUTOGCUIJ-UHFFFAOYSA-N 455.009 5.790 50 10 JKGE COc1ccc(F)cc1[C@@H](Br)c1cc(Br)cc(Br)c1 234877631 LFPVYJFJSQDTSD-AWEZNQCLSA-N 452.943 5.844 50 10 JKGE Fc1ccc(COc2c(Br)cc(CBr)cc2Br)cc1Cl 236246966 SHVDVVVZJKVXJT-UHFFFAOYSA-N 487.388 6.478 50 10 JKGE COc1cc(/C=N/NC(=O)[C@@H]2[C@H]3CCCC[C@]32C)ccc1OCc1ccc(Cl)cc1Cl 253563148 FCIIGKDETAEHNI-KWEWYYIGSA-N 461.389 5.857 50 10 JKGE O=C(NN=Cc1cn(Cc2c(F)cccc2Cl)nc1-c1ccccc1)c1ccc(Cl)s1 254303769 ZYPNEKFVZKGGLB-UHFFFAOYSA-N 473.360 5.870 50 10 JKGE CCOc1ccc([C@H](Br)c2cccc(OCc3ccccc3)c2)cc1Br 311965204 LXCNBQZMNFXVPV-JOCHJYFZSA-N 476.208 6.911 50 10 JKGE Clc1ccc(Br)c(COc2cc(Br)ccc2CBr)c1 691445999 SLILMVGRHVHOER-UHFFFAOYSA-N 469.398 6.339 50 10 JKGE Fc1cc(Br)ccc1C[C@H](Cl)c1cc(Br)sc1Br 692782915 RKZTZKQVBHNKQP-VIFPVBQESA-N 477.418 6.697 50 10 JKGE Cn1cc(Br)c([C@H](Br)c2cc(Br)ccc2Br)n1 693098209 AGHWFADWWUIPAW-SNVBAGLBSA-N 487.815 5.192 50 10 JKGE C[C@@H]1CCCN(C(=O)c2cc(Br)c(Br)s2)[C@@H]1CCBr 697245066 GSPPPXIGICDEOW-PSASIEDQSA-N 474.056 5.299 50 10 JKGE COCCOc1ccc([C@H](Br)c2ccsc2Br)cc1Br 698582807 BBRFFXZNGFUFEU-ZDUSSCGKSA-N 485.035 5.783 50 10 JKGE C[C@@]12CN(Cc3ccccc3)C[C@@H]1CN(c1ccc(CBr)c(Br)c1)C2 702089629 PRIDEZCAHJKABH-NQIIRXRSSA-N 464.245 5.302 50 10 JKGE COc1ccc(Cl)cc1[C@H](Br)c1scc(Br)c1Br 705440266 XDFVWBJIJHXTKO-JTQLQIEISA-N 475.427 6.419 50 10 JKGE C[C@H]1Cc2cc([C@H](Br)c3scc(Br)c3Br)ccc2O1 705466394 PPNVWQDNZGBEKB-MADCSZMMSA-N 467.020 6.081 50 10 JKGE C[C@H](Cl)c1nc2ccccc2c(=O)n1CC1(N(Cc2ccccc2)Cc2ccccc2)COC1 707863317 ODZVYPHFXMISSE-NRFANRHFSA-N 474.004 5.168 50 10 JKGE BrCc1ccc(N2CCCc3cc(Br)ccc32)c(Br)c1 713296549 YKPMWHRBKDCRTB-UHFFFAOYSA-N 460.007 6.191 50 10 JKGE CN(Cc1ccccc1)C(C)(C)Cn1c(CCCl)nc2ccc(F)c(Br)c21 714232720 CMQBTQFHRDQPHB-UHFFFAOYSA-N 452.799 5.630 50 10 JKGE O=C(NC1CCCCCC1)[C@H](c1cccs1)N(C(=O)CCl)c1cccc(C(F)(F)F)c1 725238783 XFDUMPWGYILUGN-FQEVSTJZSA-N 472.960 5.919 50 10 JKGE COc1ccc(C(=O)NN=C(C)c2ccc3c(c2)[C@@H]2C=CC[C@@H]2[C@H](c2ccc(F)cc2)N3)cc1OC 1083909634 ANFBFEIJQYEYFZ-IWHLBADBSA-N 485.559 5.823 50 10 JKGE Cc1ccc(NC(=O)/C(C#N)=C\c2ccc(OCc3ccc(Br)cc3)cc2)cc1C 1084242523 NUGLGIQPKGJJTB-STZFKDTASA-N 461.359 6.191 50 10 JKGE CCOc1cc(/C=C(\C#N)C(=O)N2CCN(c3ccccc3)CC2)ccc1OCc1ccc(F)cc1 1084304138 QZKBEIVHUIBAPA-HKOYGPOVSA-N 485.559 5.059 50 10 JKGE COC(=O)c1ccc(C)c(-n2c(C)cc(/C=C(\C#N)C(=O)Nc3cccc(Cl)c3Cl)c2C)c1 1084427227 WLPUSTVLHPGSKJ-YBFXNURJSA-N 482.367 6.042 50 10 JKGE Cc1ccc(C(C)C)c(OC(=O)c2oc3c(c2C)C(=NNC(=O)c2ccccc2C)CCC3)c1 1772743840 LYICOFITDKAHJC-UHFFFAOYSA-N 458.558 6.018 50 10 JKGE Cc1ccc(C(C)C)c(OC(=O)c2oc3c(c2C)C(=NNC(=O)c2cccs2)CCC3)c1 1772750070 WQNZUXCBTUWCLQ-UHFFFAOYSA-N 450.560 5.771 50 10 JKGE CCCc1nn(Cc2ccccc2F)c2c1[C@H](c1cccc(Br)c1)C(C#N)=C(N)O2 1865684653 UVXMGSNLMGBQCP-HXUWFJFHSA-N 467.342 5.004 50 10 JKGE CC(C)Oc1ccccc1[C@@H]1C(C#N)=C(N)Oc2c1c(-c1ccccc1)nn2-c1cccc(Cl)c1 1865705553 YXXARNHZFUVYQY-XMMPIXPASA-N 482.971 6.198 50 10 JKGE N#CC1=C(N)Oc2c(c(C(F)(F)F)nn2-c2ccc(Cl)c(Cl)c2)[C@H]1c1ccccc1[N+](=O)[O-] 1865710374 WOIJEIIBZZUNKR-HNNXBMFYSA-N 496.232 5.324 50 10 JKGE Cc1nn(Cc2ccccc2Cl)c2c1[C@@H](c1cccc(OCc3ccccc3)c1)C(C#N)=C(N)O2 1865711785 HXUWZOJZUSCAEQ-SANMLTNESA-N 482.971 5.690 50 10 JKGE CCc1nn(Cc2ccccc2F)c2c1[C@@H](c1cccc(OCc3ccccc3)c1)C(C#N)=C(N)O2 1865711827 IUOPRPSFHRQJGH-SANMLTNESA-N 480.543 5.430 50 10 JKGE N#CC1=C(N)Oc2c(c(-c3ccccc3)nn2-c2ccccc2Cl)[C@@H]1c1ccc(O)c([N+](=O)[O-])c1 1865714039 BDUYDUDTCJMOLF-OAQYLSRUSA-N 485.887 5.025 50 10 JKGE CCc1ccc(-c2csc(/C(C#N)=C(\O)c3ccc4c(c3)C(=O)N(CC(C)C)C4=O)n2)cc1 1872744357 OHOFJJPHRVSZQT-LNVKXUELSA-N 457.555 5.574 50 10 JKGE Cc1c([N+](=O)[O-])cc(/C(O)=C(\C#N)c2nc(-c3cccc(Br)c3)cs2)cc1[N+](=O)[O-] 1872747234 TZTNGZSDZMQPMM-JXAWBTAJSA-N 487.291 5.647 50 10 JKGE CCOc1ccccc1OC/C(O)=C(\C#N)c1nc(-c2cc(Cl)cc(C)c2OC)cs1 1872756945 JBUZQRZCRWYSGJ-ZPHPHTNESA-N 456.951 6.051 50 10 JKGE N#C/C(=C(/O)c1ccc(Cl)cc1[N+](=O)[O-])c1nc(-c2cc(Cl)ccc2Cl)cs1 1872758586 HSIZKCXLTLABHB-LGMDPLHJSA-N 452.706 6.628 50 10 JKGE COc1ccc(Cl)cc1-c1csc(/C(C#N)=C(\O)c2c(Cl)ccc(Cl)c2OC)n1 1872758837 SOLRRXRMRLWHPR-PDGQHHTCSA-N 467.761 6.737 50 10 JKGE Cc1nn(C)c([C@H](Br)c2cc(Cl)c(Br)cc2F)c1Br 1877174068 ARIMOQYFVCVQKQ-LLVKDONJSA-N 475.381 5.530 50 10 JKGE Cc1nsc(Br)c1[C@H](Br)c1cc(Br)c2c(c1)CCCO2 1912933143 RILQYSPROAFRJD-GFCCVEGCSA-N 482.035 5.786 50 10 JKGE O=C(c1c(F)cc(Br)cc1F)N(Cc1ccccc1)C1(CBr)CCC1 1915740123 DDWCYQADRAZQTP-UHFFFAOYSA-N 473.155 5.687 50 10 JKGE COCC1([C@H](Br)c2sc(Br)c(C)c2Br)CCCC1 1922931414 BXUICUOHMDRASL-LLVKDONJSA-N 461.057 6.224 50 10 JKGE Clc1c(Br)sc(Br)c1[C@H](Cl)c1ncsc1Br 1923066776 UWYQOIUDULMPDV-VKHMYHEASA-N 486.863 6.474 50 10 JKGE Cc1cc(Br)c([C@@H](Br)[C@@H](C)C2CCCCC2)cc1Br 1923886661 JROXGWBGGHLBHS-ZBEGNZNMSA-N 453.056 7.172 50 10 JKGE Cl[C@@H](c1c(Br)sc(Br)c1Br)[C@@H]1CC2CCC1CC2 1924591483 RVBINQPRFYNHTO-MNMOATOFSA-N 477.487 7.142 50 10 JKGE Clc1sc(Br)c(Cl)c1[C@@H](Cl)c1cccc(OCc2ccccc2)c1 1925599075 LWHUMQGSEHKDEY-HNNXBMFYSA-N 462.623 7.725 50 10 JKGE Cc1csc([C@H](Br)c2sc(Cl)cc2Br)c1Br 1939882611 POBWNTHOAYPPPR-MRVPVSSYSA-N 465.457 6.781 50 10 JKGE C[C@H]1CN(c2ccc(CBr)cc2Br)[C@H](C)CN1Cc1ccccc1 1946783277 NXHXNTMHXGBUBT-JKSUJKDBSA-N 452.234 5.443 50 10 JKGE CC(C)(C(=O)O)[C@@H](CCCC[C@H]1CCSS1)NC(=O)OCC1c2ccccc2-c2ccccc21 1951853236 DPMMTCJKNRHSIH-MHECFPHRSA-N 499.698 6.719 50 10 JKGE Brc1cc(Br)c([C@H](Br)C2(Br)CC2)s1 1953917384 FIFLWIRMATYPKG-ZETCQYMHSA-N 453.819 5.637 50 10 JKGE FC(F)([C@@H](Br)c1cc(Br)sc1Br)[C@@H]1CCOC1 2012977836 QSOJIZJCOMCYPC-XRGYYRRGSA-N 454.956 5.381 50 10 JKGE Brc1cnsc1[C@@H](Br)c1cc(Br)c2c(c1)CCO2 2030025464 RJVGAQZRWKJTQD-JTQLQIEISA-N 453.981 5.087 50 10 JKGE Clc1cc([C@H](Cl)c2cscc2OCc2ccccc2)c(Cl)c(Cl)c1Cl 2038688729 PIVUVESNLAYOIY-HNNXBMFYSA-N 452.617 8.269 50 10 JKGE Cc1cc(C=C(C#N)c2nc(-c3ccccc3)cs2)c(C)n1-c1ccc(Br)cc1 2040464295 ITCYBGIQQOSQRE-UHFFFAOYSA-N 460.400 7.044 50 10 JKGE COc1cc(C=C(C#N)c2nc3ccccc3s2)ccc1OC(=O)c1csc2c1CCCC2 2053497296 DTVKUCFAYLOFDS-UHFFFAOYSA-N 472.591 6.529 50 10 JKGE Clc1cc(Br)cc(C[C@H](Br)c2ccc(Br)cc2)c1 2081565006 ASCBDCLPLFIVSW-AWEZNQCLSA-N 453.399 6.544 50 10 JKGE Cc1cc(F)c(Cl)cc1[C@@H](Br)c1csc(Br)c1Br 2081930891 YVPKNYCDEMASNB-SNVBAGLBSA-N 477.418 6.858 50 10 JKGE BrC[C@H](Cc1cccc(Br)c1)Cc1csc(Br)c1 2084076464 COQSUJBAHHZCMF-LLVKDONJSA-N 453.037 6.069 50 10 JKGE C[C@@H]1CC[C@@H](CC(CBr)(CBr)c2ccc(Br)cc2)C1 2101721689 FPJGCFFMOFSGPE-CHWSQXEVSA-N 453.056 6.303 50 10 JKGE Cc1cc(Br)c([C@H](Br)[C@@H]2[C@H]3CCC(F)(F)[C@@H]32)cc1Br 2114391131 DSWRHVJWLYPPTB-HPXOCHMKSA-N 458.966 6.247 50 10 JKGE Cc1cc(Br)c(C)c([C@@H](Br)C[C@@H]2C[C@H]3C[C@H]3C2)c1Br 2136374584 NHBOPNNTACSEOA-OPDFLTKYSA-N 451.040 6.701 50 10 JKGE C[C@@H]1CC[C@@](C)([C@H](Br)c2ccc(Br)cc2Br)C1(C)C 2138848743 HMIUZPLLOSRODS-HQQWDMGQSA-N 453.056 7.110 50 10 JKGE COc1cc(C)c(Br)cc1[C@H](Cl)Cc1ccccc1I 2143869146 WJHDDKMHLKVQNE-CQSZACIVSA-N 465.556 5.893 50 10 JKGE FC(F)(F)c1ccc([C@H](Cl)c2cc(Br)sc2Br)cc1Cl 2146764313 YEGSTVVLASKSPI-JTQLQIEISA-N 468.947 7.274 50 10 JKGE CCOc1ccc(C)cc1[C@@H](Br)c1cccc(Br)c1Br 2148752034 RXSKLLWNAPXILL-HNNXBMFYSA-N 463.007 6.403 50 10 JKGE C[C@@H]1CC[C@H](CCC(CBr)(CBr)c2ccc(Br)cc2)O1 2161116470 QOOLCPIYZAYJSV-IUODEOHRSA-N 469.055 5.824 50 10 JKGE ClCc1nc2cc(Cl)c(Br)cc2n1Cc1ccc(Br)s1 2169020151 WPBWNPIPNOAMQN-UHFFFAOYSA-N 455.002 6.063 50 10 JKGE O=S(=O)(c1ccc(Cl)c(CBr)c1Cl)N(Cc1ccccc1)CC1CCCC1 2179831033 RNLTZBDRJXANLC-UHFFFAOYSA-N 491.278 6.269 50 10 JKGE Cc1cc(Br)c(C)c([C@@H](Br)[C@H]2CCCCS2(=O)=O)c1Br 2201071522 RAODKFPYYPTSNM-RISCZKNCSA-N 489.067 5.232 50 10 JKGE CCO[C@@H]1CC[C@H]([C@@H](Br)c2c(C)c(Br)cc(C)c2Br)C1 2201079116 QSBGVJJWVJFKKT-HWWQOWPSSA-N 469.055 6.470 50 10 JKGE COc1c(Br)cc(C)cc1[C@H](Br)c1ccc(Cl)cc1Br 2203829747 KXNZWLIIUCBHGM-CQSZACIVSA-N 483.425 6.666 50 10 JKGE CCCCC[C@H](CC)O[C@@](C)(CI)c1ccccc1Br 2207470692 TZLIYRFOAYIBMK-YOEHRIQHSA-N 453.202 6.475 50 10 JKGE C=C[C@H](Br)Cc1sc(Br)c(Br)c1Br 2209349866 UWAUEICABFBDCC-BYPYZUCNSA-N 453.819 5.528 50 10 JKGE CCN1C[C@@H](Cl)[C@@H](c2sc(Br)c(Br)c2Br)C1 2212201163 UHVKQJNUJAKKTN-NTSWFWBYSA-N 452.437 5.062 50 10 JKGE C[C@@H](CC(F)(F)F)[C@H](Br)c1cc(Br)c(Br)cc1F 2218605018 CARVXPOUFXSNDI-RRAGMBSWSA-N 456.897 6.375 50 10 JKGE Clc1ccccc1[C@@H](Br)c1c(Br)cc(Cl)c(Cl)c1Cl 2224301519 BCQDYJFPVWHMCK-LLVKDONJSA-N 463.811 7.547 50 10 JKGE FC(F)COCC[C@H](Br)c1c(Br)cc(Cl)c(Cl)c1Cl 2224302870 PSBHSKPBCZYGQP-YFKPBYRVSA-N 461.355 6.517 50 10 JKGE FC(F)(F)c1cc(CBr)ccc1OC[C@H]1CC1(Br)Br 2224800387 HDNVLNFKLRCCTQ-MRVPVSSYSA-N 466.917 5.485 50 10 JKGE CCN(C[C@@](C)(CI)OC1CCC(C(F)(F)F)CC1)C(=O)OC(C)(C)C 2231389012 FTCAWRRAIIBRBD-MQBCKMQZSA-N 493.348 5.575 50 10 JKGE Cc1cc(Br)c([C@H](Br)C23CCC(CC2)CC3)c(C)c1Br 2235610728 HDOCGXNSUMHYKQ-PDOTXMHQSA-N 465.067 7.235 50 10 JKGE Cl[C@@H](c1ccc(I)cc1)c1cc2sc(Br)cc2s1 2263618192 NPUCNWGUWAPJLO-ZDUSSCGKSA-N 469.594 6.658 50 10 JKGE BrCc1cc(Br)c(OC[C@H]2CCC23CCC3)c(Br)c1 2266152312 LAMATKUJMOXMIB-LLVKDONJSA-N 453.012 6.066 50 10 JKGE COc1sc([C@@H](Br)c2cc(F)c(Br)cc2Cl)cc1Br 2267749242 LLKOPMROMWJQEH-NSHDSACASA-N 493.417 6.559 50 10 JKGE COc1ccc([C@H](Br)c2nn(C)cc2Br)c(Br)c1Cl 2268267115 AKCROKKFXMEVCM-JTQLQIEISA-N 473.390 5.091 50 10 JKGE CC1(C)COc2c([C@H](Br)c3cocc3Br)cc(Br)cc21 2285994343 WXNLKIBJZQJJDJ-ZDUSSCGKSA-N 464.979 5.959 50 10 JKGE COc1ccc(Br)c2c1nc(CCCl)n2C[C@@H](C)N(C)Cc1ccccc1 2286080833 LVHDBYUBFAQRAR-OAHLLOKOSA-N 450.808 5.109 50 10 JKGE CCOC(=O)C(C#N)=Cc1cc(Br)c(OCc2ccc(Cl)cc2)c(Br)c1 2293823888 XEQGXRSUYTZYJN-UHFFFAOYSA-N 499.586 5.914 50 10 JKGE FC1(F)C[C@H]([C@H](Br)Cc2cc(Br)cc(Br)c2)C12CCC2 2295331785 OAHPZRAFWSFOAU-CHWSQXEVSA-N 472.993 6.343 50 10 JKGE COc1ccc(C=C(C#N)C(=O)N[C@H](C)c2ccccc2)cc1COc1cccc(C(F)(F)F)c1 2295672223 CRLJZWIJYHNCIP-GOSISDBHSA-N 480.486 6.077 50 10 JKGE Cc1ccc(C[C@H]2SC(=C(C#N)C(=O)Nc3c(C)cccc3C)N(c3ccccc3)C2=O)cc1 2296507111 UCJSQLXOICPSGB-XMMPIXPASA-N 467.594 5.677 50 10 JKGE N#CC(=Cc1ccc(-c2ccc(Cl)cc2)o1)C(=O)Nc1ncc(Cc2cccc3ccccc23)s1 2296819123 XSGHZOOPWXBCIW-UHFFFAOYSA-N 495.991 7.346 50 10 JKGE N#CC(C(=O)NCCc1ccccc1)=C1S[C@H](Cc2ccccc2)C(=O)N1c1ccc(Cl)cc1 2296834996 KTLGVDOVRJBEPI-XMMPIXPASA-N 488.012 5.125 50 10 JKGE Fc1cc(Cl)c(Br)c(Cl)c1[C@@H](Br)C1CC(Br)C1 2299029820 DZRFULFTIGVGDP-UDSLYJHRSA-N 469.801 6.505 50 10 JKGE Cc1scc([C@@H](Br)c2sc(Br)c(C)c2C)c1Br 2303601488 PXPQJFZBMZMHTN-SNVBAGLBSA-N 459.066 6.744 50 10 JKGE CCOc1cc(C=C(C#N)C(=O)Nc2cccc(Cl)c2Cl)ccc1OCc1cccc(C)c1 2313570913 IYJRCVAPMROWQC-UHFFFAOYSA-N 481.379 6.825 50 10 JKGE CCOC(=O)c1c(NC(=O)C(C#N)=Cc2ccc(-c3cccc(F)c3)o2)sc2c1CC[C@@H](CC)C2 2314571242 CHLRXQBLBLYUTR-MRXNPFEDSA-N 492.572 6.384 50 10 JKGE COCc1ccc([C@@H](Cl)c2ccc(Br)cc2I)s1 2315093403 QJZUOABRKXRSDF-ZDUSSCGKSA-N 457.558 5.590 50 10 JKGE Fc1c(Br)cc(Cl)c([C@@H](Br)[C@H]2CCCCO2)c1Br 2315449553 QPWISUYEVYCKRD-SCZZXKLOSA-N 465.382 6.009 50 10 JKGE N#CC(=Cc1ccccc1OCc1ccc(Br)cc1)c1nc(O)c2ccccc2n1 2331029984 LWZOIELKEWFYJF-UHFFFAOYSA-N 458.315 5.741 50 10 JKGE COc1cccc(C=C(C#N)c2ccc(C(=O)OC(C)C)o2)c1OCc1ccc(Cl)c(Cl)c1 2331049712 KDXLTPDFJWVNEU-UHFFFAOYSA-N 486.351 6.803 50 10 JKGE COc1cc(C(O)=C(C#N)c2nc(-c3ccc(-c4ccccc4)cc3)cs2)cc(OC)c1OC 2331231556 BNLROYPEYHWZPZ-UHFFFAOYSA-N 470.550 6.453 50 10 JKGE CCOc1ccccc1OCC(O)=C(C#N)c1nc(-c2ccc(-c3ccccc3)cc2)cs1 2331231957 WINOEKHJMBMJIB-UHFFFAOYSA-N 454.551 6.747 50 10 JKGE CCc1cccc(CC)c1N1C[C@H](C(O)=C(C#N)c2nc(-c3cccc([N+](=O)[O-])c3)cs2)CC1=O 2331232646 LKIIDFXAFVTVEH-LJQANCHMSA-N 488.569 5.689 50 10 JKGE N#CC(=C(O)Cc1ccc(Br)cc1)c1nc(-c2ccc3c(c2)CCCC3)cs1 2331239487 DSOJZKPOAOPHGS-UHFFFAOYSA-N 451.389 6.487 50 10 JKGE COc1cc(C(O)=C(C#N)c2nc(-c3ccc4c(c3)CCCC4)cs2)c([N+](=O)[O-])cc1OC 2331240323 XYXGOBMPWAHUKN-UHFFFAOYSA-N 463.515 5.564 50 10 JKGE COc1cc(C)c(-c2csc(C(C#N)=C(O)c3cc(OC)c(OC)c(OC)c3)n2)cc1C(C)C 2331352239 WLMXZOMDMVQNCZ-UHFFFAOYSA-N 480.586 6.226 50 10 JKGE COc1ccc(-c2csc(C(C#N)=C(O)CCCOc3ccc(Cl)cc3Cl)n2)c(C)c1C 2331362969 ZUFIPCRMASVWOS-UHFFFAOYSA-N 489.424 7.394 50 10 JKGE COc1cc(OC)c(-c2csc(C(C#N)=C(O)c3ccc(N(C)C)c([N+](=O)[O-])c3)n2)cc1Cl 2331381085 HFWOLRAQLOHZAS-UHFFFAOYSA-N 486.937 5.405 50 10 JKGE FC(F)(F)C([C@@H](Cl)c1ccc(OCc2ccccc2)cc1Br)C(F)(F)F 2336051885 WHWPCYFWGYHYQR-AWEZNQCLSA-N 461.627 7.049 50 10 JKGE Fc1c(Br)cc(Cl)c([C@@H](Cl)c2scc(Cl)c2Cl)c1Br 2337100144 ZRVQVOHOBXOSOL-SECBINFHSA-N 487.830 7.701 50 10 JKGE Cc1cc([C@H](Cl)c2c(C)cc(Br)c(F)c2Br)c(Br)s1 2339659849 WXSGJTFNFSTXEF-NSHDSACASA-N 491.445 7.120 50 10 JKGE CCCO[C@@H]1[C@H](Br)C[C@H]1OCc1c(Br)cccc1Br 2340568435 PZNSKYBLRZBCHO-MGPQQGTHSA-N 457.000 5.059 50 10 JKGE CN(Cc1cc(I)ccc1Cl)C1(CBr)CCSCC1 2352426119 PNFVNQMPGSIRMM-UHFFFAOYSA-N 474.633 5.037 50 10 JKGE Clc1sc(Br)c(Cl)c1[C@@H](Br)[C@H]1C[C@@H]2CCCCCC[C@@H]21 2354882140 GPVTVZQAZXBTNB-GMOBBJLQSA-N 461.090 7.860 50 10 JKGE Cc1sc(Br)c([C@@H](Cl)c2c(F)cc(Cl)c(Br)c2Cl)c1C 2360419597 BIVAXQCPLZELOR-LLVKDONJSA-N 481.439 7.664 50 10 JKGE Cc1cc(C(F)(F)F)sc1[C@@H](Cl)c1cc(Br)ccc1OCc1ccccc1 2361213104 ASULGAJJFOOMJI-SFHVURJKSA-N 475.757 7.745 50 10 JKGE Fc1c(Br)cc(Cl)c([C@H](Cl)[C@@H]2COCCC2(F)F)c1Br 2362239192 LCGKIGLAHXSTFA-XUOSJQGZSA-N 456.911 5.956 50 10 JKGE Clc1ccc(CN2[C@H](CBr)C[C@H]3CCCC[C@H]32)cc1I 2362369481 YDUKGAZTEFZJDW-DVOMOZLQSA-N 468.604 5.473 50 10 JKGE CCCc1sc(Br)cc1[C@H](Br)c1c(F)cc(Br)cc1F 2363266128 AFJOKIMVXPPFNO-AWEZNQCLSA-N 489.017 6.988 50 10 JKGE COc1c(Br)cc(C)c([C@@H](Br)[C@@H]2CCC(F)(F)C2)c1Br 2365197095 SMIOLIUWYBRYON-KCJUWKMLSA-N 476.981 6.400 50 10 JKGE COc1c(Br)cc(C)c([C@H](Br)[C@@H]2[C@H]3COCC[C@H]32)c1Br 2365215628 MBSYANYZEAXCIH-PSJXJDHFSA-N 469.011 5.247 50 10 JKGE CN(Cc1ccc(Cl)cc1I)C[C@H](Br)C1CCCCC1 2366698210 ANSHHSITBFDTTC-HNNXBMFYSA-N 470.620 5.720 50 10 JKGE Clc1ccc(C[C@H]2CCCCCCCC[C@H]2Br)c(I)c1 2366716913 ZIIVENIBVHYAFH-CZUORRHYSA-N 469.632 7.001 50 10 JKGE O=C(NN=Cc1ccc(N2N=C(c3ccccc3)C[C@H]2c2cccc3ccccc23)cc1)c1ccncc1 8424552 KFOBGESELLTWPC-HKBQPEDESA-N 495.586 6.354 50 10 JKGE CCSc1sccc1[C@H]1C(C#N)=C(N)N(c2ccccc2C)C2=C1C(=O)C[C@@H](c1ccccc1)C2 9982535 SZRMOCQETDPVAJ-FNZWTVRRSA-N 497.689 6.867 50 10 JKGE CC[C@@H](Oc1ccc(-c2ccccc2)cc1)C(=O)NNC(=O)c1ccccc1OCc1ccccc1 14768966 LPNNFRMFKPFFQN-HHHXNRCGSA-N 480.564 5.551 50 10 JKGE N#C/C(=C\c1ccc(-c2cc(Cl)ccc2Cl)o1)c1nc(O)c2c3c(sc2n1)CCCC3 28356807 GONIKTXYGJOJJL-FMIVXFBMSA-N 468.365 6.907 50 10 JKGE N#C/C(=C/c1cc2ccccc2nc1Cl)c1nc(-c2cc3cc(Cl)ccc3oc2=O)cs1 33531524 BHNKWYLXAUCLGD-PXNMLYILSA-N 476.344 6.836 50 10 JKGE N#C/C(=C/c1cc(Br)ccc1OCc1ccccc1)C(=O)Nc1ccc([N+](=O)[O-])cc1 33930294 AIOFWWVOSYYNMM-PDGQHHTCSA-N 478.302 5.482 50 10 JKGE COc1cc(CBr)cc(Br)c1OCc1ccc(Cl)c(Cl)c1 36815534 NRUUDMMQQMYDJW-UHFFFAOYSA-N 454.973 6.238 50 10 JKGE CCCCCOc1ccc(/C=C2/C(=O)N(CCc3ccc(OC)c(OC)c3)C(=O)C(C#N)=C2C)cc1 38608336 REWAESTXQXDFMM-JJIBRWJFSA-N 488.584 5.108 50 10 JKGE COc1ccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4ccc(OCC(C)C)cc4)ccc32)cc1 38650359 NVJVMOLOBDPKJW-AREMUKBSSA-N 470.525 5.167 50 10 JKGE N#CC1=C(N)Oc2cc(OC(=O)c3ccc(F)cc3)ccc2[C@@H]1c1cccc(Oc2ccccc2)c1 38660782 UCGXEIDRWHVDEX-MHZLTWQESA-N 478.479 6.055 50 10 JKGE CCCOc1cccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)[C@H](C)Oc4ccccc4F)ccc32)c1 38684445 IENOIMBFEJGRDX-QLXKLKPCSA-N 488.515 5.206 50 10 JKGE Cc1c(C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@@H]3c2ccc(Cl)cc2Cl)oc2ccccc12 38688276 HYTOUYKHYVPNRK-HSZRJFAPSA-N 491.330 6.485 50 10 JKGE Cc1cc2oc(C(=O)Oc3ccc4c(c3)OC(N)=C(C#N)[C@@H]4c3cccs3)c(C)c2cc1Cl 38688421 QPDKEBMWHPDRBX-JOCHJYFZSA-N 476.941 6.202 50 10 JKGE Cc1c(C(=O)N(C)Cc2ccccc2)oc2c1/C(=N/NC(=O)c1ccc(Br)cc1)CCC2 40811811 KXWBELJMOWOLSF-NHFJDJAPSA-N 494.389 5.093 50 10 JKGE COc1cccc(/C=C(/C#N)c2nc3ccccc3[nH]2)c1Oc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] 50568340 OQRJWIQCFSENAC-PTNGSMBKSA-N 457.402 5.244 50 10 JKGE CCOc1ccc([C@@H](O)CCC(=O)N/N=C/c2cn(Cc3ccccc3Cl)c3ccccc23)cc1 58894694 XXVCPQMTSDZVBR-VZFOORBSSA-N 490.003 5.706 50 10 JKGE Cc1cc(/C=N/NC(=O)c2cc3cc(Br)ccc3o2)c(C)n1-c1cccc(C(=O)O)c1 59304832 TXXMZYRYYKCZPQ-BRJLIKDPSA-N 480.318 5.065 50 10 JKGE N#C/C(=C/C(Br)=C/c1ccccc1)c1nc(-c2ccc(Br)cc2)cs1 102635898 MVEOJJPYPPBNEA-OVKLFRDMSA-N 472.205 6.916 50 10 JKGE C[C@@H]1CCCC/C1=N/NC(=O)c1cccc(S(=O)(=O)Nc2cc(Cl)ccc2Cl)c1 102648953 MNZVSYXEQIYLCV-JJDWYLCDSA-N 454.379 5.090 50 10 JKGE Clc1ccc(C[C@H](Br)c2cc(Br)ccc2Br)cc1Cl 109844458 DRLDLWQSHHIHOO-LBPRGKRZSA-N 487.844 7.197 50 10 JKGE O=C1Cc2cc([C@H](Br)c3cc(Br)ccc3Br)c(Cl)cc2N1 161094312 KXWGKAZLUMNNTO-OAHLLOKOSA-N 494.408 5.844 50 10 JKGE COc1ccc(N(C(=O)CCl)[C@H](C(=O)N[C@H]2CCCC[C@@H]2C)c2ccccc2Cl)cc1 169691529 ZXVNHGMPOHYGQO-YROCYRMSSA-N 463.405 5.357 50 10 JKGE COc1cc(F)c(Br)cc1[C@@H](Br)c1ccc(Br)cc1 234864064 ABNVYYUDEUSVIZ-AWEZNQCLSA-N 452.943 5.844 50 10 JKGE COc1ccc([C@H](Cl)c2cc(Cl)ccc2I)cc1Br 234993565 ZXYXEKMOELEKFT-AWEZNQCLSA-N 471.947 6.044 50 10 JKGE Clc1ccc(Br)cc1Oc1ccc(CBr)c(Br)c1 236035752 XPSDRXSVXQPAFW-UHFFFAOYSA-N 455.371 6.552 50 10 JKGE CCCCCCCCCCCC(=O)NN=Cc1ccc(OC(=O)c2ccc(OCC)cc2)cc1 254746735 HRNVQJJDFAXBDR-UHFFFAOYSA-N 466.622 6.676 50 10 JKGE CC(=O)O[C@@H]1CC[C@]2(C)C3=CC(=O)[C@]4(C)[C@H]([C@H](C)CC[C@H](C)C(C)C)CC[C@@H]4[C@@]34CC[C@@]2(C1)OO4 254839222 FNOFNCIBAJVYBM-CZCWJBISSA-N 486.693 6.592 50 10 JKGE C[C@H](Cl)c1nc2cnccc2n1-c1ccc(I)c(Br)c1 312539313 ICNXHVNHEWDOEE-QMMMGPOBSA-N 462.516 5.087 50 10 JKGE CCc1cc(CC)c([C@H](Br)c2sccc2I)c(CC)c1 313000787 YRDSZGIESQLDOG-INIZCTEOSA-N 463.222 6.524 50 10 JKGE O=C(OCc1ccccc1)N1C[C@H](CCl)[C@H](c2cc(Br)cc(Br)c2)C1 382730590 UHMYWEIJTZJJJB-YJBOKZPZSA-N 487.619 5.803 50 10 JKGE COc1ccc(Br)cc1C(Br)c1cc(Br)ccc1OC 394440604 XIEKAROEIKWMMY-UHFFFAOYSA-N 464.979 5.713 50 10 JKGE FC1(F)CCC[C@H]1CC(CBr)(CBr)c1ccc(Br)cc1 400599046 DQSCGRRXDAUZOV-LBPRGKRZSA-N 475.009 6.302 50 10 JKGE Clc1cc([C@H](Br)c2ccc(Br)s2)c(Cl)c(Cl)c1Cl 405037106 XKDQOKKCUPTNHK-QMMMGPOBSA-N 469.840 7.609 50 10 JKGE CC(C)(C)OC(=O)NCCN1CCC[C@@H](c2ccccc2CO[Si](C)(C)C(C)(C)C)CC1 616601071 KIQWDLFKXHJBKK-OAQYLSRUSA-N 462.751 6.303 50 10 JKGE CC(C)(C)[Si](C)(C)OCCN1CCCOC[C@@H]1c1ccccc1CO[Si](C)(C)C(C)(C)C 616644621 AUHHORDFSZEYTQ-XMMPIXPASA-N 479.854 6.994 50 10 JKGE C[C@H](CBr)[C@@H]1CCCCN1C(=O)c1cc(Br)cc(Br)c1 696708274 CECYZMMXKPIDDM-YGRLFVJLSA-N 468.027 5.237 50 10 JKGE CCn1cc([C@H](Br)c2scc(C(F)(F)F)c2Br)nc1Br 698393021 SIKFEKBHIGGXLH-QMMMGPOBSA-N 496.972 5.993 50 10 JKGE Clc1cccc(C(CBr)(CBr)Cc2ccncc2Br)c1 702866020 PPXBZAXUJUJULK-UHFFFAOYSA-N 482.441 5.768 50 10 JKGE C[C@H](Br)c1ccccc1NC(=O)c1scc(Br)c1Br 705421548 YGOWQAMPKXPTHA-ZETCQYMHSA-N 468.008 5.981 50 10 JKGE BrCc1ccc(Br)cc1N1CCCc2cccc(Br)c21 713309518 WSTASEWBFYTGKZ-UHFFFAOYSA-N 460.007 6.191 50 10 JKGE CC1(C)CCC[C@H](COc2c(Br)cc(Br)cc2CBr)O1 714358630 CBTBBYFDKVWZFV-GFCCVEGCSA-N 471.027 5.833 50 10 JKGE C[C@H](Cl)c1nc2cc(I)ccc2n1[C@H]1C[C@H](OCc2ccccc2)C1(C)C 718083053 ZSCPFBROBPJBBS-GKCIPKSASA-N 494.804 6.497 50 10 JKGE C[C@H]1Cc2cc(Br)cc([C@@H](Cl)c3ccc(I)cc3)c2O1 720124617 NCSMUMFMZWHNAV-VFZGTOFNSA-N 463.540 5.705 50 10 JKGE Fc1cc(Cl)c([C@H](Br)c2cccc(F)c2I)cc1F 721691751 LVLGKOISVFQXHU-GFCCVEGCSA-N 461.446 5.846 50 10 JKGE COc1ccc(CSCC(=O)NN=Cc2cc(C)n(-c3cc(Cl)cc(Cl)c3)c2C)cc1 1084044253 KDSXYWXKDRYKPI-UHFFFAOYSA-N 476.429 5.793 50 10 JKGE COc1cc(/C=C(/C#N)C(=O)Nc2cccc(Cl)c2Cl)ccc1OCc1cccc(Cl)c1 1084128522 PTCQPYSBLONHAF-YVLHZVERSA-N 487.770 6.780 50 10 JKGE Cc1cccc(COc2ccc(Cl)cc2/C=C(/C#N)C(=O)Nc2cccc(C(F)(F)F)c2)c1 1084314085 GGQZDWJHYPBVGV-ODLFYWEKSA-N 470.878 6.792 50 10 JKGE Cc1c(C(=O)Nc2cc(C(F)(F)F)ccc2Cl)oc2c1C(=NNC(=O)c1ccncc1)CCC2 1772745497 CJSZQRQHLQCIFU-UHFFFAOYSA-N 490.869 5.378 50 10 JKGE O=C(CCC(=O)c1ccc(Cl)cc1)N/N=C1\C(=O)N(Cc2ccccc2Cl)c2ccccc21 1860822629 JKUWXRJDOHJMIV-OLFWJLLRSA-N 480.351 5.024 50 10 JKGE CN(C)c1ccc([C@H]2C(C#N)=C(N)Oc3c2c(C(F)(F)F)nn3-c2cccc3ccccc23)cc1 1865682902 AESHWSYRVDKRBK-NRFANRHFSA-N 475.474 5.328 50 10 JKGE CCCOc1cccc([C@@H]2C(C#N)=C(N)Oc3c2c(-c2ccccc2)nn3-c2cccc(Cl)c2)c1 1865693004 HGNLNDNXRHIZTM-XMMPIXPASA-N 482.971 6.200 50 10 JKGE Cc1nn(-c2ccc(Cl)c(Cl)c2)c2c1[C@@H](c1cc(Br)ccc1O)C(C#N)=C(N)O2 1865696489 NWEWCJSPWKBLGI-SFHVURJKSA-N 492.160 5.174 50 10 JKGE CCCc1nn(Cc2ccc(F)cc2)c2c1[C@@H](c1ccc(Br)cc1)C(C#N)=C(N)O2 1865714512 MDMWTXFOAKCPSJ-FQEVSTJZSA-N 467.342 5.004 50 10 JKGE Cc1ccc([C@@H](CC(=O)N[C@H](Cc2ccccc2)C(=O)Nc2ccc(SC#N)cc2)C2CC2)cc1C 1866721522 RVPCBFHZTJPYJP-WUFINQPMSA-N 497.664 6.127 50 10 JKGE CC(C)c1nc(Nc2ccc(SC#N)cc2)cc(N2CCC[C@H]2c2ccc(C(F)(F)F)cc2)n1 1868231512 IZXHTSAUYPVTMN-NRFANRHFSA-N 483.563 7.277 50 10 JKGE N#C/C(=C(/O)CCCCCNC(=O)c1ccccc1)c1nc(-c2ccc(Br)cc2)cs1 1872746451 ISOSXBIYODYBDP-XDOYNYLZSA-N 496.430 6.356 50 10 JKGE N#C/C(=C(/O)CCN1C(=O)c2ccccc2C1=O)c1nc(-c2cccc3ccccc23)cs1 1872752841 VRQGXFCEMVYDMO-LNVKXUELSA-N 451.507 5.442 50 10 JKGE CCOC(=O)Oc1ccc(/C(O)=C(\C#N)c2nc(-c3cc(C)c(Cl)cc3OC)cs2)cc1 1872755158 AVSZNMNCCUFYMM-FXBPSFAMSA-N 470.934 6.266 50 10 JKGE COc1c(Cl)cc(-c2csc(/C(C#N)=C(\O)COc3ccc(C)c(C)c3)n2)cc1Cl 1872755772 FHWPDHRJTZESJI-SILNSSARSA-N 461.370 6.614 50 10 JKGE C[C@H](/C(O)=C(\C#N)c1nc(-c2cc(Cl)ccc2Cl)cs1)N1C(=O)c2ccccc2C1=O 1872758278 TXKGGIZNBLNQEB-HBTZSIKTSA-N 470.337 5.594 50 10 JKGE CCOC(=O)Oc1ccc(/C(O)=C(\C#N)c2nc(-c3ccc(OC)c(OC)c3OC)cs2)cc1 1872759783 ZNGLFQHXRDNLHF-JZJYNLBNSA-N 482.514 5.321 50 10 JKGE COc1ccc(-c2csc(/C(C#N)=C/c3cc(Br)cc(OC)c3O)n2)cc1OC 1872781768 PLFWTIXOJJFFRM-MKMNVTDBSA-N 473.348 5.368 50 10 JKGE COc1cc(/C=C(\C#N)c2nc(-c3ccc(C)cc3)cs2)ccc1OC(=O)c1ccccc1 1872790716 AOXPVALOGWFRDB-HYARGMPZSA-N 452.535 6.411 50 10 JKGE COc1ccc(-c2csc(/C(C#N)=C/c3ccccc3OCc3ccccc3Cl)n2)cc1Cl 1872794852 ZXOADFDUNVJYQO-UDWIEESQSA-N 493.415 7.769 50 10 JKGE CC(C)(C)OC(=O)NC[C@@](C)(CI)OCc1cccc(Cl)c1Cl 1901218637 OBZOFOUNGWSPPQ-MRXNPFEDSA-N 474.166 5.228 50 10 JKGE Brc1cccc(Br)c1C[C@H]1CCCCCCCC[C@@H]1Br 1913417719 WEMMIZAZPOUGJK-HIFRSBDPSA-N 467.083 7.268 50 10 JKGE CC(C)[C@@H](CBr)N(Cc1ccccc1)c1ncc(Br)cc1C(F)(F)F 1915323202 QOIXFPAWWSLGQW-MRXNPFEDSA-N 480.166 6.289 50 10 JKGE COc1ccccc1C[C@H](Br)c1sc(Br)c(C)c1Br 1922901539 NGZKPNCZNKLBNR-JTQLQIEISA-N 469.036 6.269 50 10 JKGE CO[C@@H]1C[C@@H]1[C@@H](Br)c1c(Br)sc(Br)c1Br 1924608060 CREDBPRDEYGKBG-MRKVFDINSA-N 483.845 5.507 50 10 JKGE CCCC(CBr)(CCC)CN(CCN(C)Cc1ccccc1)Cc1ccccc1 1931960438 BAFDLAFWNVHHJU-UHFFFAOYSA-N 459.516 6.602 50 10 JKGE C[C@@H]1[C@@H](CO[Si](C)(C)C(C)(C)C)O[C@H](OCc2ccccc2)[C@H](C)[C@@H]1OCc1ccccc1 2037814279 RQBNHKQEDQLOIT-RCTJKOKOSA-N 470.726 6.808 50 10 JKGE CCCOc1c(Br)cc(C=CC(=O)c2ccc(O)c(CCCl)c2)cc1OC 2040503193 MELIHQZUIOFNDJ-UHFFFAOYSA-N 453.760 5.630 50 10 JKGE Brc1cc([C@@H](Br)[C@H]2CCn3nccc3C2)c(Br)s1 2046627546 PDTUJVHJQOFSSV-CPCISQLKSA-N 455.013 5.168 50 10 JKGE Cl[C@@H](C[C@@H]1CCC12CCC2)c1c(Br)sc(Br)c1Br 2047937745 ACCMFFPEBHRQSG-YUMQZZPRSA-N 477.487 7.286 50 10 JKGE C[C@@]1([C@@H](Br)c2sc(Br)cc2Br)CCCC(F)(F)C1 2068381750 UPSVMHAUANVQCD-WDEREUQCSA-N 467.011 6.925 50 10 JKGE COc1cc(F)c([C@H](Cl)c2csc(I)c2)cc1Br 2082787270 KEOYPEAFEISBDB-GFCCVEGCSA-N 461.521 5.591 50 10 JKGE Fc1ccc(Cl)cc1[C@@H](Br)c1ccc(Br)cc1Br 2083336620 BRALRIXJOATUAR-ZDUSSCGKSA-N 457.362 6.488 50 10 JKGE COc1c(Br)cc(C)cc1[C@@H](Br)c1ccsc1Br 2083458695 XZRFZDUBVCHKME-NSHDSACASA-N 455.009 6.074 50 10 JKGE N#CC(=Cc1ccccc1)C(=O)N1CCC(=C2c3ccc(Cl)cc3CCc3cccnc32)CC1 2085354761 CSXXIOHIXRGDQQ-UHFFFAOYSA-N 465.984 5.865 50 10 JKGE COc1cc(Br)c(Oc2cnccc2CBr)cc1Br 2101177142 CFVSNVMXRNVSSR-UHFFFAOYSA-N 451.940 5.302 50 10 JKGE C[C@@H](CCC(CBr)(CBr)c1ccc(Br)cc1)C(F)F 2101522060 VYTJZQVEPGIBGY-JTQLQIEISA-N 462.998 6.158 50 10 JKGE FC1(F)CC2(CC([C@@H](Br)c3c(Cl)sc(Br)c3Cl)C2)C1 2102621254 ZFRKFVXSBFXMTK-SSDOTTSWSA-N 454.989 7.079 50 10 JKGE ClCc1nc2cc(I)ccc2n1[C@@H]1CCCN(Cc2ccccc2)CC1 2104269608 PRXIBNFXTQKPCI-GOSISDBHSA-N 479.793 5.607 50 10 JKGE Cc1ccc(Br)c(F)c1C[C@H](Br)c1cccc(Br)c1 2113487782 VCHJIUXLWWNVGN-AWEZNQCLSA-N 450.971 6.338 50 10 JKGE Fc1cc(Br)cc(Oc2cc(Cl)ccc2Br)c1CBr 2114265817 JEINBBMZZBZMRW-UHFFFAOYSA-N 473.361 6.691 50 10 JKGE O=C(N[C@@H](CBr)c1cccs1)c1cccc(Br)c1Br 2119036578 AAGRRNUGUGBXLG-JTQLQIEISA-N 468.008 5.139 50 10 JKGE Cc1nn(C)c(Br)c1[C@H](Br)c1cc(Cl)c(Br)cc1F 2129266051 SPHGNIPQSLTGTE-LLVKDONJSA-N 475.381 5.530 50 10 JKGE COc1cc(F)c([C@H](Br)c2cc(C)c(Br)s2)cc1Br 2138160225 LFGAPLZXWNKHEW-LBPRGKRZSA-N 472.999 6.214 50 10 JKGE CC[C@]12CO[C@]([C@H](Br)c3ccc(Br)c(C)c3Br)(C1)C2 2140289110 CFBPBEKCYOREPI-KFWWJZLASA-N 453.012 5.915 50 10 JKGE COc1c(C)cc(Br)cc1[C@H](Cl)c1csc(Br)c1Br 2141662693 PCDPCUDRHABXKK-NSHDSACASA-N 489.454 6.681 50 10 JKGE COc1cc(Br)c(C)cc1[C@H](Cl)c1ccc(F)cc1I 2145955191 GFZWASFMVPEVOY-OAHLLOKOSA-N 469.519 5.838 50 10 JKGE Cc1csc([C@@H](Br)c2cc3c(cc2Br)OCCO3)c1Br 2157036256 WGTUXYJLZKBABW-ZDUSSCGKSA-N 483.019 5.837 50 10 JKGE C[C@H](Cl)c1nc2cc(I)ccc2n1[C@@H]1CCCCN(Cc2ccccc2)C1 2158570671 FPJGIKAHIPRFGQ-QFBILLFUSA-N 493.820 6.168 50 10 JKGE F[C@@]12CCC[C@@]1(CBr)CN(Cc1cccc(Br)c1Br)C2 2176634505 CXJHRCBEZYVYQQ-HUUCEWRRSA-N 470.018 5.301 50 10 JKGE CN(C1CC(OCc2ccccc2)C1)S(=O)(=O)c1cc(CBr)c(Cl)cc1Cl 2179835327 SDLCSWPECBQXLE-UHFFFAOYSA-N 493.250 5.257 50 10 JKGE Cc1cc(Br)c(CBr)c(N2CC[C@H]3OCCN(Cc4ccccc4)[C@H]3C2)c1 2185517710 YMNCKJLLEGIGIC-FCHUYYIVSA-N 494.271 5.132 50 10 JKGE COc1cc(F)c([C@@H](Br)c2ccc(Br)cc2F)cc1Br 2202904890 YDAUUEFISQHVIH-AWEZNQCLSA-N 470.933 5.983 50 10 JKGE O=C(c1cc(Br)sc1Br)N1CC[C@@H]2CC[C@H](Br)C[C@H]2C1 2204092064 BVNKUPSQYKNTFJ-GUBZILKMSA-N 486.067 5.299 50 10 JKGE COc1cc(F)c(F)cc1[C@H](Br)c1cc(I)ccc1F 2204487366 JKUNHNUHVPXNHL-CQSZACIVSA-N 457.027 5.201 50 10 JKGE COc1ccc([C@@H](Cl)c2ccc(Br)cc2I)cc1OC 2207272037 LRNCZMGAWAFSAM-OAHLLOKOSA-N 467.528 5.399 50 10 JKGE Cc1c(Br)csc1C(=O)N(Cc1ccccc1)[C@H](CBr)C1CC1 2210635284 HKNXZTRBNPXATF-MRXNPFEDSA-N 457.231 5.635 50 10 JKGE Cc1cc(Br)c([C@H](Cl)c2c(Cl)sc(Br)c2Cl)s1 2215950078 WFXJGCACKLMUAP-ZCFIWIBFSA-N 455.451 7.278 50 10 JKGE COC(CBr)(CBr)Cc1c(Br)sc2ccccc12 2217924650 VKXCUTIYYAFVNR-UHFFFAOYSA-N 457.025 5.381 50 10 JKGE Cc1c(Br)sc([C@@H](Cl)c2cc(I)ccc2F)c1C 2218786778 CEOWUASXEGNUAM-NSHDSACASA-N 459.549 6.199 50 10 JKGE COc1ccc([C@@H](Br)c2cc(Cl)c(Br)s2)c(Br)c1 2223963882 NGIGBRPDTJTPST-LLVKDONJSA-N 475.427 6.419 50 10 JKGE CCOCc1cc(Br)c([C@@H](Br)c2cccc(Br)c2)s1 2224783542 TUGHOTONKOYGMX-ZDUSSCGKSA-N 469.036 6.294 50 10 JKGE Fc1cc(Br)c(Br)cc1[C@H](Br)[C@H]1CC[C@H]1C(F)(F)F 2225619627 LKJAOVVXOMFXBY-AODONOJDSA-N 468.908 6.375 50 10 JKGE Cc1cc(Br)c([C@@H](Br)[C@H]2CCC(C)(C)C2)c(C)c1Br 2227370007 OXEQILQEASSBQQ-NHYWBVRUSA-N 453.056 7.091 50 10 JKGE COc1cc(Br)c([C@H](Br)c2cccc(I)c2)cc1C 2227715217 ZANLARZBUREMLE-OAHLLOKOSA-N 495.980 5.855 50 10 JKGE C[C@@H](Cl)c1nc2c(F)cc(Br)cc2n1CC(C)(C)N(C)Cc1ccccc1 2232917865 CCCJRBYTTXCGBF-CQSZACIVSA-N 452.799 6.148 50 10 JKGE COc1cc(Br)c([C@H](Br)c2c(Cl)cccc2Br)cc1C 2236021226 FZBPAQLKHVGZLQ-HNNXBMFYSA-N 483.425 6.666 50 10 JKGE Cc1cc(Br)c(C)c([C@@H](Br)c2c(Cl)c(C)nn2C)c1Br 2240919898 MQZDJUWLGDMKLO-GFCCVEGCSA-N 485.445 6.008 50 10 JKGE CC(C)(C)OC(=O)N[C@H](CBr)[C@@H]1C[C@H]2CCCC[C@@H]2N(C(=O)OC(C)(C)C)C1 2241259855 JAUQYYPTQMZESR-VQHPVUNQSA-N 461.441 5.090 50 10 JKGE CC(C)c1cc(Br)cc(C(=O)N(Cc2ccccc2)[C@@H](C)CBr)c1 2247264650 MQNDJQWKLQWJHJ-HNNXBMFYSA-N 453.218 5.998 50 10 JKGE Cn1cc([C@H](Cl)Cc2cc(Br)cc(Br)c2)c(Br)n1 2263512080 VRSDVKGTPHPZQY-LLVKDONJSA-N 457.391 5.230 50 10 JKGE Fc1cc(Br)c(F)c(Br)c1[C@H](Br)COCC(F)(F)F 2272740177 PRTFGZZYOSRXHE-RXMQYKEDSA-N 476.859 5.505 50 10 JKGE Fc1cc(Br)c(F)c(Br)c1[C@H](Br)c1ccccc1Cl 2272848914 BAAKXRYZMJZMSI-LLVKDONJSA-N 475.352 6.628 50 10 JKGE COc1ccc([C@H](Br)c2ccc(Cl)c(Cl)c2)c(Br)c1Cl 2283565014 YGSLTWFFQVRRFL-GFCCVEGCSA-N 459.392 6.902 50 10 JKGE CC1(C)C[C@@H](Br)C[C@H](NC(=O)c2ccc(Cl)c(I)c2)C1 2283669902 QOKVZZNXXBUNCZ-QWRGUYRKSA-N 470.576 5.017 50 10 JKGE COC1CC(CC[C@@H](Br)c2c(F)cc(Br)c(F)c2Br)C1 2288481053 QERVXOZIRRGUBZ-AMDVSUOASA-N 476.981 6.131 50 10 JKGE CCOc1cc(C=C(C#N)C(=O)Nc2ccccc2C)ccc1OC(=O)c1cccc2ccccc12 2295459591 BUNRUBHMSWKFLF-UHFFFAOYSA-N 476.532 6.312 50 10 JKGE COc1ccc([N+](=O)[O-])cc1NC(=O)C(C#N)=Cc1ccc(-c2cccc(Cl)c2Cl)o1 2297306943 FBQPYFOFVPJSAD-UHFFFAOYSA-N 458.257 5.716 50 10 JKGE Cc1nn(-c2cccc(C(F)(F)F)c2)c(Cl)c1C=C(C#N)C(=O)Nc1cccc2ncccc12 2297488384 YAPQWOYWQMJIGQ-UHFFFAOYSA-N 481.865 5.947 50 10 JKGE Brc1cc(OCc2ccccc2)ccc1[C@H](Br)C[C@@]12CCC[C@@H]1C2 2299491921 AZANYTUPIRQDBB-HBGVWJBISA-N 450.214 7.044 50 10 JKGE CCOC1CC([C@@H](Br)c2cc(Br)ccc2OCc2ccccc2)C1 2299505331 VXNARSQTADZEDT-MKJPBZQASA-N 454.202 6.279 50 10 JKGE C[C@@H]1[C@@H](Br)CCC[C@@H]1Cc1ccc(I)c(Br)c1 2306210362 IJDVSGCUXIPFDC-WCQGTBRESA-N 472.002 5.796 50 10 JKGE C[C@@H]1CCC[C@]1(CBr)Cc1ccc(I)c(Br)c1 2306232081 PYMQZYULXADTFM-QMTHXVAHSA-N 472.002 5.798 50 10 JKGE C=CCc1cc(C=C(C#N)C(=O)Nc2cccc(Cl)c2Cl)ccc1OCc1ccc(Cl)cc1 2313570775 FZIFGWUJLDZHDB-UHFFFAOYSA-N 497.809 7.500 50 10 JKGE Clc1ccc([C@@H](Cl)c2cc(Br)ccc2OCc2ccccc2)c(Cl)c1 2314447747 BKVYRNTYWIYFBS-HXUWFJFHSA-N 456.594 7.663 50 10 JKGE N#CC(=Cc1ccc(N2N=C(c3ccccc3)C[C@H]2c2ccccc2)cc1)c1nc2ccccc2[nH]1 2314482381 JPIKBXUHKUNOIU-PMERELPUSA-N 465.560 6.983 50 10 JKGE Cc1cc(F)cc([C@@H](Br)c2cc(Br)ccc2OCc2ccccc2)c1 2314488508 IXRQRJNGEFYGDB-OAQYLSRUSA-N 464.172 6.960 50 10 JKGE CC1(C)OCCC[C@@H]1[C@@H](Br)c1cc(Br)ccc1OCc1ccccc1 2314491395 QWRZNHDPWSAOQX-QUCCMNQESA-N 468.229 6.669 50 10 JKGE Brc1cc(OCc2ccccc2)ccc1[C@H](Br)C1CC2(CCCC2)C1 2314493223 ZFZQNEVSKXEQCH-OAQYLSRUSA-N 464.241 7.435 50 10 JKGE C=CCNC(=O)C(C#N)=C1S[C@@H](Cc2ccc(CCCC)cc2)C(=O)N1c1ccc(CC)cc1 2314593857 UYDPBNJONCRAOS-VWLOTQADSA-N 473.642 5.320 50 10 JKGE CCCOc1cccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)C=Cc4ccccc4Cl)ccc32)c1 2314634701 BDBMJVPJFZAMEI-HHHXNRCGSA-N 486.955 5.966 50 10 JKGE Clc1cc(I)c([C@H](Br)[C@H]2OC[C@@H]3CCCC[C@H]23)s1 2316597873 XAYDFHCBNXHJSR-MMSPYSMKSA-N 461.590 5.647 50 10 JKGE CC(C)(C)O[C@H]1C[C@@H]([C@H](Br)c2sc(Cl)cc2I)C1 2316659648 VMTFXVUHTJHOIN-RNSXUZJQSA-N 463.606 6.036 50 10 JKGE Cc1c(Cl)cc(C(=O)N[C@@H](CCBr)COCc2ccccc2)cc1Br 2320358843 UHQKONFDPKKLAC-INIZCTEOSA-N 489.635 5.511 50 10 JKGE CCOc1cc(C=NNC(=O)c2ccccc2N)ccc1OCc1ccc(Cl)c(Cl)c1 2323203060 PQMXWHOKDYTVOC-UHFFFAOYSA-N 458.345 5.317 50 10 JKGE FC(F)(F)[C@H]1C[C@@H]([C@@H](Br)c2cc(Br)ccc2OCc2ccccc2)C1 2327681483 QGVLELFIMQANAY-QWQRMKEZSA-N 478.146 7.053 50 10 JKGE N#CC(=Cc1ccc(OCc2c(Cl)cccc2Cl)cc1)c1cc2c(cc1[N+](=O)[O-])OCCO2 2331051408 LFTIVAAURRSTEH-UHFFFAOYSA-N 483.307 6.316 50 10 JKGE COc1ccc(-c2csc(C(C#N)=C(O)C=Cc3ccc(OC(C)=O)c(OC)c3)n2)cc1OC 2331242642 XBFUUVYMBYTVCS-UHFFFAOYSA-N 478.526 5.267 50 10 JKGE COc1ccc(OC)c(-c2csc(C(C#N)=C(O)CCCOc3ccc(C(C)(C)C)cc3)n2)c1 2331326062 WJECOYCRWVDMDO-UHFFFAOYSA-N 478.614 6.777 50 10 JKGE CCOc1c(Br)cc(C=C(C#N)c2nc(-c3ccc(OC)cc3)cs2)cc1OC 2331431568 YSRQUKCRYAGKLT-UHFFFAOYSA-N 471.376 6.053 50 10 JKGE COc1cc(C=C(C#N)c2nc(C(C)(C)C)cs2)ccc1OCc1c(Cl)cccc1Cl 2331442574 JSWYFENNPSWDNM-UHFFFAOYSA-N 473.425 7.399 50 10 JKGE COc1cc(C=C(C#N)c2nc(-c3ccc(C)cc3)cs2)cc(Br)c1OC(C)C 2331444049 FZMXSOMTSMCSPH-UHFFFAOYSA-N 469.404 6.741 50 10 JKGE N#CC(=Cc1c(OCc2ccccc2)ccc2ccccc12)c1nc(-c2ccc(F)cc2)cs1 2331459058 HSOYDXLUOBIMCE-UHFFFAOYSA-N 462.549 7.746 50 10 JKGE CCOc1ccc(OCC)c(-c2csc(C(C#N)=Cc3cc(Br)ccc3O)n2)c1 2331470119 JNJSVQJBBNZEGW-UHFFFAOYSA-N 471.376 6.140 50 10 JKGE CCCCOc1ccc(C=C(C#N)c2nc(-c3cc(Cl)ccc3OC)cs2)cc1OCC 2331489922 LCZMJZNLHPYANW-UHFFFAOYSA-N 469.006 7.114 50 10 JKGE Brc1cc(OCc2ccccc2)ccc1[C@H](Br)C1CC2(C1)CC21CCC1 2336041618 PMKGVSPMGKWGAL-VSZUSUSQSA-N 476.252 7.435 50 10 JKGE COc1ccc(C[C@@H](Br)c2cc(Br)sc2C)c(Br)c1 2338830445 BIMBCIZHDGZKJX-CYBMUJFWSA-N 469.036 6.269 50 10 JKGE Cc1cc(Br)c(F)c(Br)c1[C@H](Br)[C@H]1C[C@H]2CC[C@H]1C2 2339645217 GFLLXHUZQKBZNP-AVWBDOJWSA-N 455.003 6.531 50 10 JKGE FC(F)(F)[C@H]1C[C@H](Br)CCN1Cc1ccc(Br)cc1Br 2361419878 CVALYRYCNAMWBG-ZYHUDNBSSA-N 479.960 5.502 50 10 JKGE CC1(C)[C@H]2CC[C@@H](C2)[C@@]1(CBr)Cc1ccc(Cl)c(I)c1 2362376176 RQMDVKDEUONRGQ-DCGLDWPTSA-N 467.616 6.325 50 10 JKGE Cc1cc(Br)c([C@@H](Cl)c2c(Cl)cc(F)cc2Cl)cc1Br 2366409412 VABACEKYMCAGOO-CQSZACIVSA-N 461.383 7.294 50 10 JKGE C[C@@H]1CC[C@H](C(C)(C)Cc2ccc(Cl)cc2I)[C@@H](Br)C1 2366729864 OZAJYUJRTYQSMI-UGFHNGPFSA-N 469.632 6.713 50 10 JKGE ClC[C@H]1C[C@@H]2C[C@H](C1)CN(Cc1ccc(I)c(Br)c1)C2 2377353046 NSBOQVCBICLNKQ-BTTYYORXSA-N 468.604 5.141 50 10 JKGE CSc1sc(C)cc1[C@H]1C(C#N)=C(N)N(c2ccccc2)C2=C1C(=O)C[C@@H](c1ccccc1)C2 9981213 MKUBJQFGBRRBRS-DFBJGRDBSA-N 483.662 6.477 50 10 JKGE CC(C)CCOc1ccc(C(=O)NNC(=O)COc2ccc(C(C)(C)C)cc2C(C)(C)C)cc1 14661781 QUPPKXQDVYSPAC-UHFFFAOYSA-N 468.638 5.547 50 10 JKGE CC(C)(C)c1cc(Br)ccc1OCC(=O)NNC(=O)c1sc2ccccc2c1Cl 14668170 SWTOEROHJXODND-UHFFFAOYSA-N 495.826 5.455 50 10 JKGE N#C/C(=C/c1ccc(-c2cc(C(F)(F)F)ccc2Cl)o1)C(=O)Nc1cccc(Cl)c1 33284868 FXDQPFVBZVMJCX-WQLSENKSSA-N 451.231 6.818 50 10 JKGE CCCOc1ccccc1C(=O)Oc1ccc2c(c1)OC(N)=C(C#N)[C@@H]2c1ccc(CC)cc1 38677588 WJLJGBIQCDDWIS-AREMUKBSSA-N 454.526 5.475 50 10 JKGE Cc1c(C(=O)Nc2cc(Cl)ccc2Cl)oc2c1/C(=N/NC(=O)c1ccccc1)CCC2 40804195 ZVDOQZMHPPRZBM-WPWMEQJKSA-N 456.329 5.618 50 10 JKGE Cc1cccc(C(=O)N/N=C2\CCCc3oc(C(=O)Oc4ccc5ccccc5c4)c(C)c32)c1 40811329 HOBCNWPRNDUWLP-BYNJWEBRSA-N 452.510 5.739 50 10 JKGE COc1ccccc1C(=O)N/N=C1\CCCc2oc(C(=O)Oc3cc(C)c(Cl)c(C)c3)c(C)c21 40813240 JEFGWVLPYZXQGL-TURZUDJPSA-N 480.948 5.556 50 10 JKGE CC(C)(C)c1ccc(C(=O)N/N=C/c2cccc(OC(=O)c3ccc(Cl)cc3Cl)c2)cc1 48573367 PFMPFDWSMDIXJL-RWPZCVJISA-N 469.368 6.274 50 10 JKGE COc1cc(/C=N/NC(=O)c2ccncc2)cc(Cl)c1OCc1ccc(Cl)cc1Cl 59536299 OFXFSIFAIQKLCZ-KBKYJPHKSA-N 464.736 5.393 50 10 JKGE Cc1ccc(C)c(/C=C(/C#N)S(=O)(=O)c2cc(Br)ccc2Br)c1 96792512 BVRXCRQNVLIHBI-NVNXTCNLSA-N 455.171 5.167 50 10 JKGE Cc1ccccc1NC(=O)[C@@]12CC[C@@](C(Br)Br)([C@@H]1Br)C2(C)C 100848596 MGZZSDJEQNKCHX-AFAVFJNCSA-N 494.065 5.619 50 10 JKGE CC1=C(C#N)C(=O)N(Cc2ccccc2Cl)C(=O)/C1=C/c1ccc(-c2cc(Cl)ccc2Cl)o1 101340852 STXJNCWNBPBVDP-WOJGMQOQSA-N 497.765 6.699 50 10 JKGE Fc1ccc([C@H](Cl)c2cc(Br)sc2Br)c(Br)c1 104029903 BRKAOMDYJOVCSL-JTQLQIEISA-N 463.391 6.503 50 10 JKGE Clc1cccc([C@@H](Br)c2cc(Br)ccc2Br)c1Cl 104040090 AEEKKWSBUMCZPI-GFCCVEGCSA-N 473.817 7.003 50 10 JKGE CCOc1ccc(N/C(SCc2ccc(Cl)cc2)=C(\C#N)C(=O)NCc2ccco2)cc1 105422977 WONOMBZAZKVCDS-GYHWCHFESA-N 467.978 5.729 50 10 JKGE CCN(Cc1ccccc1)c1ccc(/C=N\NC(=O)Cc2cc(Cl)ccc2SC)cc1 169922610 HXDWWVAQXCHUKX-PKAZHMFMSA-N 452.023 5.781 50 10 JKGE C=CCN1C(=O)C(C#N)=C(C)/C(=C/c2cn(-c3ccccc3)nc2-c2ccc(OCCC)c(F)c2)C1=O 214352561 YXBOXSHSOSZHIE-HAHDFKILSA-N 496.542 5.245 50 10 JKGE Cc1cccc([C@@H](Br)c2ccc(Cl)c(Cl)c2)c1I 235928403 WFHNMJGGXABMCX-ZDUSSCGKSA-N 455.948 6.391 50 10 JKGE CCOc1cc(C=NNC(=O)COc2cc(C)ccc2C(C)C)ccc1OC(=O)c1ccccc1 254385129 SFEYUSFHLSOKLJ-UHFFFAOYSA-N 474.557 5.265 50 10 JKGE CCCCOc1ccc(C(=O)NN=Cc2c(OCc3ccc(F)cc3)ccc3ccccc23)cc1 254869230 SVCIVJWOZPOVJM-UHFFFAOYSA-N 470.544 6.501 50 10 JKGE Fc1cc(F)cc(COc2c(Br)cc(Br)cc2CBr)c1 312446745 JMVBLFBMIRJAFL-UHFFFAOYSA-N 470.933 5.964 50 10 JKGE C[C@H]1CCC[C@@H](CC(CBr)(CBr)c2cccc(Br)c2)C1 383793810 XDIFKOQYMLGQPP-UONOGXRCSA-N 467.083 6.693 50 10 JKGE C[C@@H](COCc1ccccc1)Cn1c([C@@H](C)Cl)nc2cc(I)ccc21 390410126 FTAXGDOULCFNFE-HUUCEWRRSA-N 468.766 5.794 50 10 JKGE C[C@H](Cl)c1nc2cc(F)c(F)cc2n1CCCN(Cc1ccccc1)Cc1ccccc1 390480419 LBCWNAGGPBZSDD-IBGZPJMESA-N 453.964 6.707 50 10 JKGE CC1(C)COc2c([C@H](Cl)c3csc(I)c3)cc(Br)cc21 688220569 HLTHONIADZGMQS-CYBMUJFWSA-N 483.596 6.113 50 10 JKGE C[C@@H](Cl)c1nc2cc(F)cnc2n1CC1(N(Cc2ccccc2)Cc2ccccc2)COC1 705615329 GBLWEIQADTTZFV-LJQANCHMSA-N 464.972 5.342 50 10 JKGE C[C@@H]1CN(Cc2ccccc2)C[C@H]1Cn1c(CCl)nc2cc(I)c(F)cc21 708571856 CKRDRKVSTTUYIA-ZBFHGGJFSA-N 497.783 5.287 50 10 JKGE COc1ccc(Oc2cccc(Br)c2CBr)cc1I 712920307 TYLYUGXNNCXZIL-UHFFFAOYSA-N 497.952 5.750 50 10 JKGE Clc1ccc(I)c(CN(CCBr)c2ccccc2)c1 714544385 WBGXSYJNLSJZRK-UHFFFAOYSA-N 450.545 5.346 50 10 JKGE N#C/C(=C/c1ccc(OCc2ccc(Cl)cc2Cl)cc1)C(=O)Nc1cccc([N+](=O)[O-])c1 1084040830 OFTXYJVZSDFYKW-YVLHZVERSA-N 468.296 6.026 50 10 JKGE CC(C)c1ccc(OCC(=O)NN=Cc2c3ccccc3cc3ccccc23)c(Br)c1 1084209956 FHPQBIPFSDOLAQ-UHFFFAOYSA-N 475.386 6.408 50 10 JKGE O=C(Cc1cccc2ccccc12)NN=C1C(=O)N(Cc2ccccc2Cl)c2ccccc21 1084289675 JNZBMMDPGXXLHV-UHFFFAOYSA-N 453.929 5.103 50 10 JKGE O=C(COc1ccc(C=NNC(=O)c2ccc(Cl)cc2Cl)cc1)Nc1ccccc1Cl 1084457283 SACLYUKEIHMJMF-UHFFFAOYSA-N 476.747 5.428 50 10 JKGE ClCc1cc(-c2ccc(I)cc2)nn1-c1ccc(Cl)c(Cl)c1 1614817295 LNIMDMTXPTVMTD-UHFFFAOYSA-N 463.533 6.190 50 10 JKGE COc1cc(C=NNC(=O)COc2cccc(C(C)C)c2)ccc1OCc1ccccc1Cl 1772753280 MLUYQHMLKUNAPI-UHFFFAOYSA-N 466.965 5.580 50 10 JKGE Cc1ccc(OCC(=O)NN=Cc2ccc(OCc3ccccc3Cl)cc2)c(Br)c1 1772754272 GBOUWRKOZVZJLM-UHFFFAOYSA-N 487.781 5.519 50 10 JKGE N#CC1=C(N)Oc2c(c(-c3ccccc3)nn2Cc2cccc(Cl)c2)[C@H]1c1cccc(O)c1 1865681179 HAKLMFQFCAJXAZ-QFIPXVFZSA-N 454.917 5.176 50 10 JKGE CCCc1nn(Cc2ccc(Cl)cc2)c2c1[C@@H](c1ccc(C(C)(C)C)cc1)C(C#N)=C(N)O2 1865682349 MQRAASNPMXUXJQ-QHCPKHFHSA-N 461.009 6.053 50 10 JKGE COc1ccc(-c2nn(Cc3ccc(C)cc3)c3c2[C@@H](c2cc(C)ccc2O)C(C#N)=C(N)O3)cc1 1865687143 KIOZTFLARWHGRN-VWLOTQADSA-N 478.552 5.148 50 10 JKGE COc1ccc2ccccc2c1[C@@H]1C(C#N)=C(N)Oc2c1c(-c1ccccc1)nn2-c1ccccn1 1865688179 MLZHHEVWPKFMFY-VWLOTQADSA-N 471.520 5.314 50 10 JKGE C=CCOc1ccccc1[C@H]1C(C#N)=C(N)Oc2c1c(-c1ccccc1)nn2-c1ccc(C)cc1 1865691575 VVIAKCWCBNVAJW-VWLOTQADSA-N 460.537 5.631 50 10 JKGE Cc1ccsc1[C@H]1C(C#N)=C(N)Oc2c1c(-c1ccccc1)nn2Cc1cccc(Cl)c1 1865698944 GTNREHSUMQHQSM-FQEVSTJZSA-N 458.974 5.840 50 10 JKGE CC[C@@H](C(=O)N[C@@H](C(=O)Nc1ccc(SC#N)cc1)c1ccccc1)c1ccc(Cl)cc1 1866948439 GTUQZZKHRREODP-DHIUTWEWSA-N 463.990 5.903 50 10 JKGE N#CSc1ccc(Nc2cc(N3CC[C@@H](c4ccc5c(c4)OCO5)C3)nc(-c3ccccc3)n2)cc1 1868364664 CQIRMNUPNHMSGA-OAQYLSRUSA-N 493.592 6.183 50 10 JKGE COc1ccc(-c2csc(/C(C#N)=C(O)/C=C/c3ccc(OC(C)=O)c(OC)c3)n2)cc1OC 1872745648 XBFUUVYMBYTVCS-MBHKSPPESA-N 478.526 5.267 50 10 JKGE COc1ccc(-c2csc(/C(C#N)=C(\O)[C@@H](C)Oc3ccc(Cl)cc3Cl)n2)cc1F 1872752703 OQDJZIXHKNTVDT-QTVDBSQPSA-N 465.333 6.525 50 10 JKGE N#C/C(=C(/O)CCCOc1ccc2ccccc2c1)c1nc(-c2c[nH]c3ccccc23)cs1 1872753154 JJHUUXNSILSUHY-ROMGYVFFSA-N 451.551 7.096 50 10 JKGE CCOc1ccc(CC/C(O)=C(\C#N)c2nc(-c3c(C)c(C)cc(C)c3C)cs2)cc1OC 1872754579 ZNHURZIYKORRRG-LNVKXUELSA-N 462.615 6.877 50 10 JKGE COc1ccc(/C=C(C(/O)=C(\C#N)c2nc(-c3ccc(OC)cc3OC)cs2)\c2ccccc2)cc1 1872755557 STTVZMSEDYOCCO-GERGDJCQSA-N 496.588 6.869 50 10 JKGE COc1ccc(OC)c(/C=C/C(O)=C(\C#N)c2nc(-c3ccc(OC)c4ccccc34)cs2)c1 1872758808 QYVRSVATFQNAOP-HXYGAVEPSA-N 470.550 6.495 50 10 JKGE COc1ccc(-c2csc(/C(C#N)=C(\O)c3ccc4nc(C)c(C)nc4c3)n2)c2ccccc12 1872758973 ZFBXVNSUTGDGPR-QLYXXIJNSA-N 464.550 6.482 50 10 JKGE COc1cc(Cl)c(C)cc1-c1csc(/C(C#N)=C/c2cc(OC)c(OC)c(OC)c2)n1 1872793977 DDRPCGVVCBEOFX-VIZOYTHASA-N 456.951 5.871 50 10 JKGE CCCOc1ccc(-c2csc(/C(C#N)=C(\O)c3ccc(Cl)c(Cl)c3)n2)cc1OCCC 1872817967 FXUWYYGJVQSESV-QJOMJCCJSA-N 489.424 7.644 50 10 JKGE Cc1nc2ccc(/C(O)=C(\C#N)c3nc(-c4ccc(-c5ccccc5)cc4)cs3)cc2nc1C 1873941161 ZBFMIOJNICCCTR-VYIQYICTSA-N 460.562 6.987 50 10 JKGE Cl[C@H](c1c(Br)sc(Br)c1Br)[C@H]1[C@H]2COCC[C@H]21 1908308539 YDWXYZHGGUONHZ-HOCYRETQSA-N 465.432 5.598 50 10 JKGE Cc1cc(Br)c([C@H](Br)C2CC(OC(C)(C)C)C2)cc1Br 1913999431 RKOUIFLHPCUGFN-QKFMDRJYSA-N 469.055 6.550 50 10 JKGE CCCOc1c(Br)cc(Br)cc1C=CC(C)=CCBr 1914069022 PQMZQRNPHWKCKT-UHFFFAOYSA-N 453.012 6.355 50 10 JKGE CC[C@@H](Br)CN(Cc1ccccc1)Cc1cccc(Br)c1Br 1915091936 DIJAEMQUWRIYLF-MRXNPFEDSA-N 490.077 6.387 50 10 JKGE CC1(C)C[C@@H](N(Cc2ccccc2)S(=O)(=O)c2cc(CCl)sc2Br)CO1 1915475515 AYFOFYUAFJKWMB-CQSZACIVSA-N 478.861 5.008 50 10 JKGE O=C(c1scc(Br)c1Br)N1CC[C@]2(CCC[C@H]2Br)C1 1918927998 RDHYJANJVTUUNT-NOZJJQNGSA-N 472.040 5.053 50 10 JKGE CC1(C)C[C@H]([C@H](Br)c2sc(Br)cc2Br)C(C)(C)O1 1922881518 IUEKMFHROKZVAU-XCBNKYQSSA-N 461.057 6.303 50 10 JKGE Cc1c(Br)sc([C@@H](Br)C(C)(C)C(C)(F)F)c1Br 1922892452 APFOKYAQTWVXLT-MRVPVSSYSA-N 455.000 6.699 50 10 JKGE Cc1c(Br)sc([C@@H](Br)[C@H]2[C@H]3CC[C@@H](C3)C2(C)C)c1Br 1922930539 SXWQGCZYGJHDNR-GUDRVLHUSA-N 471.096 7.090 50 10 JKGE Cc1ccc([C@@H](Br)c2sc(Br)c(C)c2Br)cc1Cl 1922953290 BPAAHQMJBMXLLV-LLVKDONJSA-N 473.455 7.028 50 10 JKGE CCC1CC([C@H](Br)c2c(Br)sc(Br)c2Br)C1 1924568378 FTWCQYULYMXROE-QIECLKSESA-N 495.900 6.908 50 10 JKGE CC(C)[C@@H](C)[C@@H](Br)c1c(Br)sc(Br)c1Br 1924576681 RBWCWTDSASVKKU-IYSWYEEDSA-N 483.889 6.764 50 10 JKGE Fc1cccc(Cl)c1[C@H](Br)c1c(Cl)sc(Br)c1Cl 1925586862 DOWCIKUJKOJMKB-QMMMGPOBSA-N 453.385 7.094 50 10 JKGE Cc1sc([C@H](Br)c2cscc2OCc2ccccc2)c(C)c1Br 1939531861 QQDUDNLMNGMVSF-QGZVFWFLSA-N 472.267 7.252 50 10 JKGE Cc1cccc([C@@H](Br)c2sc(Cl)cc2Br)c1Br 1948827814 DPTVZWWZLGZNHR-LLVKDONJSA-N 459.428 6.719 50 10 JKGE O=C(N[C@H](CCCCC[C@H]1CCSS1)C(=O)O)OCC1c2ccccc2-c2ccccc21 1951899983 JRBOKFQATLEIML-GAJHUEQPSA-N 471.644 6.083 50 10 JKGE Cl[C@@H](c1c(Br)sc(Br)c1Br)[C@H]1[C@H]2CCCC[C@H]21 2002138596 HIXCGGZIMBMIKJ-JTGULSINSA-N 463.460 6.752 50 10 JKGE CC[C@@H](Br)CN(Cc1ccccc1)C(=O)c1ccc(Br)c(OC)c1 2017221359 GQWBIPNVXQHCST-MRXNPFEDSA-N 455.190 5.274 50 10 JKGE CC(C)(C)OC(=O)NC[C@](C)(CI)O[C@@H]1CCC[C@H]2CCCC[C@@H]21 2022999592 VILJBTNZVIGODJ-OLMMMNRUSA-N 451.389 5.080 50 10 JKGE COc1sc([C@H](Cl)c2cc(Cl)ccc2I)cc1Br 2034630256 UTHRJQSSZAHJRF-LLVKDONJSA-N 477.976 6.105 50 10 JKGE BrCc1c(Br)cccc1N1CC[C@H]2CN(Cc3ccccc3)C[C@@H]2C1 2049666967 JGVLFXMPOFRVDH-ZWKOTPCHSA-N 464.245 5.302 50 10 JKGE CO[C@H]1C[C@@H]([C@@H](Br)c2cc(Br)sc2Br)C[C@H]1OC 2054488258 XAOVMIBQBIUGQX-DYUFWOLASA-N 463.029 5.149 50 10 JKGE CC(C)(C)OC(=O)Nc1c(Cl)cc(C(=O)NC[C@H]2C[C@H](Br)C2)cc1Cl 2076192307 YKUFCBSZDYURRP-HOMQSWHASA-N 452.176 5.244 50 10 JKGE Cc1csc([C@H](Br)c2csc3c(Br)cccc23)c1Br 2100814244 FVSRBJJKMQIMDF-GFCCVEGCSA-N 481.072 7.281 50 10 JKGE Cc1c(Br)sc([C@@H](Cl)Cc2c(Cl)cccc2Cl)c1Br 2104786324 DRANEJRWHCANFF-JTQLQIEISA-N 463.449 7.411 50 10 JKGE ClCc1nc2cc(Cl)c(Br)cc2n1C1CC(COCc2ccccc2)C1 2112698126 ZJRQOHQCCMCOOL-UHFFFAOYSA-N 454.195 6.359 50 10 JKGE Clc1cccc([C@H](Br)CCc2ccc(Br)cc2Br)c1 2113491259 MTIHSLLVGUKGIC-CQSZACIVSA-N 467.426 6.934 50 10 JKGE Fc1cc(Br)cc(F)c1C[C@@H](Br)c1cccc(Br)c1 2113495549 PELQGORZSBZNFJ-GFCCVEGCSA-N 454.934 6.169 50 10 JKGE Fc1cc(Br)cc(Oc2cc(Br)ccc2Cl)c1CBr 2114263708 CIVAPNFYUYVADB-UHFFFAOYSA-N 473.361 6.691 50 10 JKGE CO[C@H]1C[C@@H]([C@H](Br)c2c(Br)sc(Br)c2Cl)C[C@H]1OC 2118287595 YWCBJHDJPQFQCO-XQXXSGGOSA-N 497.474 5.803 50 10 JKGE Brc1cc(Br)c([C@H](Br)[C@@H]2C[C@@H]2C2CCCCCC2)s1 2135277282 GBIVTQKOYRHIMG-JTNHKYCSSA-N 471.096 7.316 50 10 JKGE COc1c(Cl)cc(Br)cc1[C@H](Br)c1ccccc1Br 2138241183 FASYXMJSUAPHEZ-CYBMUJFWSA-N 469.398 6.358 50 10 JKGE Clc1cc([C@H](Cl)c2cccc(Br)c2Br)c(Cl)c(Cl)c1Cl 2148751153 JHBQPPVJLSWVGR-SNVBAGLBSA-N 498.256 8.153 50 10 JKGE O=C(NC[C@@H]1CC12CCC(Br)CC2)c1cc(Br)sc1Br 2157506992 ZFPAGHRKHANBHG-JUXJKVCFSA-N 486.067 5.347 50 10 JKGE Fc1ccc2nc(CCl)n([C@H]3CCCCN(Cc4ccccc4)C3)c2c1Br 2158576525 YZPUQVNCSGBSFZ-INIZCTEOSA-N 450.783 5.904 50 10 JKGE Fc1c(COc2cccc(CBr)c2Br)ccc(Cl)c1Br 2166833312 SSAJGNTWEDLHGU-UHFFFAOYSA-N 487.388 6.478 50 10 JKGE Cc1cc(Br)c([C@H](Br)C2(C)CCCCCCC2)cc1Br 2172660432 TXJUWRGIBKGXCQ-INIZCTEOSA-N 467.083 7.707 50 10 JKGE CCCC(CBr)(CCC)CN1CCN(C(=O)OC(C)(C)C)[C@@H](C(F)(F)F)C1 2186714667 JXBDJPNEFVUFIX-OAHLLOKOSA-N 459.391 5.452 50 10 JKGE CCCCCc1ccc([C@@H](Br)c2cc(Cl)ccc2I)s1 2197259732 ZTQZPBYGZZMSRP-INIZCTEOSA-N 483.640 7.223 50 10 JKGE C[C@H]1O[C@@]2(COc3c(Br)cc(Br)cc3CBr)CC[C@H]1C2 2198675710 ZFQCOPGLACJCRH-FTGAXOIBSA-N 469.011 5.443 50 10 JKGE COc1c(Cl)cc(Br)cc1[C@H](Br)c1cc(Cl)ccc1Cl 2203004854 SXDYCUAYMXEHON-CYBMUJFWSA-N 459.392 6.902 50 10 JKGE Cl[C@H](Cc1sc(Br)c(Br)c1Br)c1ccccc1 2216396744 UTHBSPBZRYJLTP-MRVPVSSYSA-N 459.428 6.558 50 10 JKGE Clc1cc(Br)c([C@H](Br)c2ccsc2Cl)c(Cl)c1Cl 2217608787 RRQVMFJCRNNHAT-MRVPVSSYSA-N 469.840 7.609 50 10 JKGE Cc1c(Br)sc([C@H](Cl)Cc2cc(Cl)cc(Cl)c2)c1Br 2232159829 BJEFUDVZAPPRCJ-SNVBAGLBSA-N 463.449 7.411 50 10 JKGE Cc1sc([C@H](Cl)c2scc(Br)c2Br)c(Br)c1C 2246384614 VQDSJIUWGNIPFW-SECBINFHSA-N 479.484 7.042 50 10 JKGE COC1([C@H](Cl)c2c(Br)sc(Br)c2Br)CC(C)C1 2247434031 NJNGCOCMRGISBI-GBZMYTLWSA-N 467.448 6.131 50 10 JKGE CCc1cc([C@@H](Br)c2cc(F)cc(Br)c2)sc1Br 2255987923 FYAMXAAJTLOZLQ-LBPRGKRZSA-N 457.000 6.459 50 10 JKGE CCCc1ccc([C@@H](Br)c2sc(Br)cc2Br)cc1 2256249918 BUDGRJFKZWBJOO-CYBMUJFWSA-N 453.037 6.710 50 10 JKGE COc1cc(F)c(Br)cc1[C@H](Br)c1scc(Br)c1Cl 2264597735 UMHYCHPCEKRBAR-JTQLQIEISA-N 493.417 6.559 50 10 JKGE Fc1cc(Br)c(F)c(Br)c1[C@H](Br)[C@@]12CCOC[C@H]1C2 2272848107 RQZJQUXOLMIHJV-UAMTVZLOSA-N 460.938 5.352 50 10 JKGE Fc1cc(Br)c(F)c(Br)c1[C@@H](Br)[C@H]1CCC(F)(F)C1 2277733317 DDARHYYPWOLMAF-CDUCUWFYSA-N 468.908 6.361 50 10 JKGE CCO[C@@H]1CC[C@H]([C@H](Br)Cc2cc(Br)cc(Br)c2)C1 2277955610 KEEFNSVBHHPKQG-NILFDRSVSA-N 455.028 5.723 50 10 JKGE FC(F)c1cscc1[C@H](Br)Cc1cc(Br)cc(Br)c1 2277962402 HEDNLXIOANYJOK-GFCCVEGCSA-N 474.990 6.889 50 10 JKGE Cc1nn(C)c([C@@H](Br)c2cc3sc(Br)cc3s2)c1Br 2278093168 GAAZCIYEKSJTOM-NSHDSACASA-N 485.064 6.014 50 10 JKGE COc1cc(C)c(Br)c(C)c1[C@@H](Br)c1ccccc1Br 2285074508 JWTSZAKXBLRFML-INIZCTEOSA-N 463.007 6.321 50 10 JKGE CC[C@H]1CC[C@H]([C@@H](Br)c2c(F)cc(Br)c(F)c2Br)CC1 2288492044 APKRCWRPXYFOQX-JRKPZEMJSA-N 475.009 7.142 50 10 JKGE Fc1ccc([C@H](Br)c2c(F)cc(Br)c(F)c2Br)c(Cl)c1 2288494481 HMQAOMYFJXMBLJ-NSHDSACASA-N 493.342 6.767 50 10 JKGE CCCCSc1ccc(-c2nn(-c3ccccc3)cc2C=C(C#N)C(=O)NC[C@H]2CCCO2)cc1 2296731248 IWEDNUGKLLLFGC-RUZDIDTESA-N 486.641 5.634 50 10 JKGE Cc1c(Cl)cccc1[C@@H](Br)c1sc(Cl)cc1I 2300954187 UIMAVSWOHRLHGK-LLVKDONJSA-N 461.977 6.452 50 10 JKGE CCNC(=O)C(C#N)=Cc1cn(-c2ccccc2)nc1-c1cccc(OCc2ccccc2Cl)c1 2314477859 AVGCXSMRIZAUMG-UHFFFAOYSA-N 482.971 5.815 50 10 JKGE Cc1cccn2c(=O)c(C=C(C#N)C(=O)Nc3ccccc3Cl)c(Oc3ccccc3Cl)nc12 2314533559 RRLDATIAERYHDY-UHFFFAOYSA-N 491.334 5.648 50 10 JKGE Cc1ccc(C[C@H]2SC(=C(C#N)C(=O)Nc3ccccc3)N(c3ccc(C)c(C)c3)C2=O)cc1C 2314591835 FXRJMADYFXQARG-AREMUKBSSA-N 481.621 5.985 50 10 JKGE COc1ccc(N2C(=O)[C@H](Cc3ccc(C(C)C)cc3)SC2=C(C#N)C(=O)Nc2ccccc2)cc1 2314591974 ITRIDPVZVPAKAN-SANMLTNESA-N 497.620 5.884 50 10 JKGE COC(=O)c1c(NC(=O)C(C#N)=Cc2ccccc2OC)sc(C)c1-c1cccc(Cl)c1 2314777775 UDOUGKSFQOGEHP-UHFFFAOYSA-N 466.946 5.718 50 10 JKGE Fc1c(Br)cc(Cl)c([C@@H](Br)[C@H]2[C@@H]3CCO[C@@H]32)c1Br 2315448101 WJXZWEOLTZBCPK-UIMPLEPHSA-N 463.366 5.475 50 10 JKGE Clc1cc(I)c([C@H](Br)[C@@H]2CC3(CCCC3)CO2)s1 2316601313 RAWRRLYZMNFFFQ-GXSJLCMTSA-N 461.590 5.791 50 10 JKGE Cc1cc(Br)c(F)c(Br)c1[C@@H](Cl)c1cc(Br)cs1 2317409967 FOTVAQWLXUIFKC-NSHDSACASA-N 477.418 6.811 50 10 JKGE CC(=NNC(=O)c1ccc(-c2ccc(Cl)cc2Cl)nc1C)c1ccc2c(c1)N(C)C(=O)[C@H](C)O2 2321275899 FRSRNNLXBDKNTA-HNNXBMFYSA-N 497.382 5.262 50 10 JKGE CCOC(=O)c1c(NC(=O)C(C#N)=Cc2ccccc2)sc(C(=O)OC2CCCCC2)c1C 2325311266 SKDXWZXBCIWFRH-UHFFFAOYSA-N 466.559 5.268 50 10 JKGE Cc1cc(I)ccc1NC(=O)C(C#N)=CNc1c(C)cccc1C(C)C 2325405933 VGVCTFNYHKNMJO-UHFFFAOYSA-N 459.331 5.490 50 10 JKGE CC[C@@H](C)[C@@H](C(O)=C(C#N)c1nc(-c2ccc(C)cc2)cs1)N1C(=O)c2ccccc2C1=O 2331313363 HBHFFEWINYRNCN-ZHRRBRCNSA-N 457.555 5.622 50 10 JKGE Cc1cc(-c2csc(C(C#N)=C(O)c3ccc(N4C(=O)c5ccccc5C4=O)cc3)n2)ccc1F 2331320498 XGELOULDZULREL-UHFFFAOYSA-N 481.508 6.008 50 10 JKGE COc1ccc(C)cc1-c1csc(C(C#N)=C(O)[C@H](CC(C)C)N2C(=O)c3ccccc3C2=O)n1 2331323058 ZDYMHDBAEPGFBK-QFIPXVFZSA-N 487.581 5.631 50 10 JKGE CC(C)[C@H](C(O)=C(C#N)c1nc(-c2c[nH]c3ccccc23)cs1)N1C(=O)c2ccccc2C1=O 2331346754 ILMOJWHOKGAINE-JOCHJYFZSA-N 468.538 5.405 50 10 JKGE N#CC(=C(O)CNC(=O)c1ccc(Cl)cc1Cl)c1nc(-c2ccc(F)c(F)c2)cs1 2331351651 MLQZVLXQJDNUJD-UHFFFAOYSA-N 466.296 5.618 50 10 JKGE COc1cc(OC)c(-c2csc(C(C#N)=C(O)c3ccc(C(C)(C)C)cc3)n2)cc1Cl 2331381162 QPOPISZNHWVPNH-UHFFFAOYSA-N 454.979 6.728 50 10 JKGE COc1ccc(-c2csc(C(C#N)=C(O)CCCCCNC(=O)c3ccccc3)n2)c(OC)c1 2331386745 IOEJOJZSFMJXER-UHFFFAOYSA-N 477.586 5.610 50 10 JKGE CCOc1cc(C(O)=C(C#N)c2nc(-c3cc(C)c(OC)cc3C)cs2)cc(OCC)c1OCC 2331402683 GBTLDPXVTAEDAV-UHFFFAOYSA-N 494.613 6.582 50 10 JKGE C[C@@H](c1ccccc1)N1C[C@H](C(O)=C(C#N)c2nc(-c3cc(Cl)ccc3Cl)cs2)CC1=O 2331404615 UWWJFJSVNZPTNN-GOEBONIOSA-N 484.408 6.519 50 10 JKGE CCCCCCCOc1ccc(-c2csc(C(C#N)=Cc3ccc(O)c([N+](=O)[O-])c3)n2)cc1 2331460546 KQEFYBPETNQHCR-UHFFFAOYSA-N 463.559 6.837 50 10 JKGE Brc1cc(OCc2ccccc2)ccc1[C@@H](Br)[C@@H]1OC[C@@H]2CCCC[C@@H]21 2336084056 PSNUQTXPEXKEEB-FBRLZHCOSA-N 480.240 6.669 50 10 JKGE Fc1c(Br)cc(Cl)c([C@H](Br)[C@@H]2CC[C@@H]3C[C@@H]3C2)c1Br 2337081283 UQKWYWGIPDLMST-BMYQGPEFSA-N 475.421 6.876 50 10 JKGE Fc1c(Br)cc(Cl)c([C@H](Br)[C@@H]2CCC[C@H]3C[C@@H]32)c1Br 2337082530 MXQCHWLWONHYDL-FLNNQWSLSA-N 475.421 6.876 50 10 JKGE CC(C)(C)OC(=O)N1CCC[C@](CBr)(OCCCCC(F)(F)C(F)(F)F)C1 2362726678 CGZKFTGNIMDVIR-OAHLLOKOSA-N 468.301 5.536 50 10 JKGE FC(F)(F)C12CC([C@@H](Cl)c3ccc(OCc4ccccc4)cc3Br)(CO1)C2 2363913377 PPRACASOLMXVLM-VIQWUECVSA-N 461.705 6.420 50 10 JKGE CC(C)[C@@H](Br)C(C)(C)CN(C)Cc1ccc(Cl)c(I)c1 2365909587 YWPVVMIZJGHFPY-OAHLLOKOSA-N 472.636 5.822 50 10 JKGE Cc1cc(Br)c(C)c([C@H](Br)C[C@H]2CC[C@@H]2C2CC2)c1Br 2367951932 WBBHSOGRYPMMIJ-UMVBOHGHSA-N 465.067 7.091 50 10 JKGE FC(F)(F)[C@@H]1[C@H](Br)CCCN1Cc1ccc(I)c(Cl)c1 2370297204 MMMRXMUBOWDGEW-SKDRFNHKSA-N 482.509 5.235 50 10 JKGE CC(C)(C)c1cc([C@@H]2C(C#N)=C(N)Oc3[nH]nc(-c4ccc5ccccc5c4)c32)cc(C(C)(C)C)c1O 9861087 JMTYPCJLSKTPPU-XMMPIXPASA-N 492.623 6.749 50 10 JKGE CC(C)(C)c1cc(/C=C(/C#N)C(=O)Nc2ccc(Cl)c([N+](=O)[O-])c2)cc(C(C)(C)C)c1O 33632271 BNLNWAAOVMYHDQ-DHDCSXOGSA-N 455.942 6.094 50 10 JKGE N#C/C(=C/c1cccc(Oc2ccccc2)c1)C(=O)Nc1ccc([N+](=O)[O-])cc1Br 33930250 XKUCTKKFMUOSOS-WJDWOHSUSA-N 464.275 5.695 50 10 JKGE CCOC(=O)c1c(NC(=O)/C(C#N)=C\c2ccccc2)sc2c1CCN(Cc1ccccc1)C2 35239774 UPLOUFRFWYESQP-QNGOZBTKSA-N 471.582 5.029 50 10 JKGE CCOc1ccccc1[C@@H]1C(C#N)=C(N)Oc2cc(OC(=O)COc3ccc(Cl)cc3C)ccc21 38650546 VTQLGDVCWDGHPE-SANMLTNESA-N 490.943 5.250 50 10 JKGE Cc1cc(OCC(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@@H]3c2ccccc2Cl)cc(C)c1Cl 38651059 WESWQTZHCLRHPI-XMMPIXPASA-N 495.362 5.813 50 10 JKGE CCc1ccc(OCC(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@@H]3c2cccc3ccccc23)cc1 38657907 WBGRMMRYAKXITE-GDLZYMKVSA-N 476.532 5.605 50 10 JKGE N#CC1=C(N)Oc2cc(OC(=O)c3ccco3)ccc2[C@@H]1c1cccc(Oc2ccccc2)c1 38660837 UWZPGKCBDOJXMT-VWLOTQADSA-N 450.450 5.509 50 10 JKGE CCCCOc1ccccc1[C@H]1C(C#N)=C(N)Oc2cc(OC(=O)Cc3ccc(OC)cc3)ccc21 38683144 OULMIWQNHQLMHV-MUUNZHRXSA-N 484.552 5.240 50 10 JKGE C=CCOc1ccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)C4CCC(CCCC)CC4)ccc32)cc1 38688591 PWMLGFVJWKRBAQ-BLHVWRTFSA-N 486.612 6.372 50 10 JKGE COc1cc(/C=N/NC(=O)COc2ccccc2-c2ccccc2)ccc1OCc1ccc(C)cc1 40911201 IIODDTDHEAPZLM-ZCTHSVRISA-N 480.564 5.779 50 10 JKGE Cc1cc(O[C@H](C)C(=O)N/N=C/c2cn(Cc3ccccc3)c3ccccc23)cc(C)c1Cl 40960465 KFZKWWDGUIGOSI-RUOGATEASA-N 459.977 5.877 50 10 JKGE Cc1c(Br)c(/C=C(\C#N)c2ccc(Br)cc2)c(C)n1-c1ccccc1 59105040 VTOZBWFJXKCCKQ-SFQUDFHCSA-N 456.181 6.683 50 10 JKGE Cc1cccc(Cn2cc(/C=N/NC(=O)c3cc4cc(Br)ccc4o3)c3ccccc32)c1 59679939 PMPWUEHQAWVOHT-CCVNUDIWSA-N 486.369 6.271 50 10 JKGE Clc1ccc(Br)cc1[C@@H](Br)c1cc2c(cc1Br)OCCO2 109865446 SZDYXQNLGFLQGF-HNNXBMFYSA-N 497.408 6.121 50 10 JKGE Fc1ccc(CC(CBr)(CBr)c2ccccc2Cl)c(Br)c1 118878020 QEEGJIQCOMQUIH-UHFFFAOYSA-N 499.443 6.512 50 10 JKGE Cc1cc(Br)c([C@@H](Br)c2cc(Cl)cc(Cl)c2)cc1Br 128752435 OUBRUHHCPMMEEV-AWEZNQCLSA-N 487.844 7.311 50 10 JKGE COc1csc([C@H](Br)c2cc(Br)c(C)cc2Br)c1 128771736 DKXICBGKNNJYOR-CYBMUJFWSA-N 455.009 6.074 50 10 JKGE Cc1cc(Cl)cc([C@H](Br)c2cc(Br)c(C)cc2Br)c1 128806605 BWZIHNJIBFDRHB-HNNXBMFYSA-N 467.426 6.966 50 10 JKGE Cc1cc(Br)c([C@@H](Cl)c2cc(Br)ccc2Br)s1 161107934 VNYWQGICZIEMLI-NSHDSACASA-N 459.428 6.672 50 10 JKGE Brc1ccc(CO[C@H](CI)c2ccc(Br)cc2)cc1 162530660 SDHDHHGNGOLMKW-OAHLLOKOSA-N 495.980 5.905 50 10 JKGE CCOc1cc(/C=N\NC(=O)Cc2cc(Cl)ccc2SC)cc(Cl)c1OC(C)C 169922759 DJTXYWBHFFAGNE-MSXFZWOLSA-N 455.407 5.594 50 10 JKGE COc1ccc(Cc2nc3cc(C(=O)N/N=C\c4ccc(Cl)c(Cl)c4)ccc3[nH]2)cc1 169925635 HSUQTSZATFCBME-ZMFRSBBQSA-N 453.329 5.233 50 10 JKGE CCCCOc1cc(/C=C(/C#N)C(=O)Nc2sc3c(c2C(=O)OCC)CCCC3)ccc1OC 209404873 BPJVBCZVCITWAA-JXAWBTAJSA-N 482.602 5.537 50 10 JKGE CCCCOC(=O)c1ccccc1NC(=O)/C(C#N)=C\Nc1cc(C(F)(F)F)cc(C(F)(F)F)c1 217240902 YPYNTXFCRSFAER-YPKPFQOOSA-N 499.411 6.139 50 10 JKGE CC[C@@H](Br)c1nnc(-c2cc(Br)ccc2I)s1 233823919 QWDYWIBKPQMNCH-MRVPVSSYSA-N 487.986 5.418 50 10 JKGE CC[C@@H]1CCC[C@@H](Oc2c(Br)cc(CBr)cc2Br)C1 233934386 SZBJSEAXEHWPOL-ZYHUDNBSSA-N 455.028 6.454 50 10 JKGE COc1cc(Cl)c([C@H](Br)c2ccc(Cl)c(Br)c2)cc1Cl 234899442 WJZDFQWQAQOBFR-CQSZACIVSA-N 459.392 6.902 50 10 JKGE Cc1ccc([C@H](Br)c2cc(Br)sc2Br)c(Cl)c1 235909232 AADGHDYEMNFLDZ-NSHDSACASA-N 459.428 6.719 50 10 JKGE O=[N+]([O-])c1ccccc1C[C@H](Br)c1cc(Cl)ccc1I 236068954 SQGUSIAWJKHZKJ-LBPRGKRZSA-N 466.500 5.532 50 10 JKGE Fc1cc(Cl)c([C@@H](Cl)c2cc(Br)ccc2I)cc1F 236211714 GJBLVNGNGDLMEY-CYBMUJFWSA-N 477.901 6.314 50 10 JKGE CC(C)c1ccc(OCC(=O)NN=Cc2ccc(OC(=O)c3cccc4ccccc34)cc2)cc1 263631010 UXZAIXSRPFQSDO-UHFFFAOYSA-N 466.537 5.712 50 10 JKGE Cc1cc([C@H](Br)c2cc3c(cc2Br)NC(=O)C3)sc1Br 380253799 PWWCLLAGIHPZER-CYBMUJFWSA-N 480.019 5.560 50 10 JKGE BrCc1cc(Br)cc(Br)c1OCOCc1ccccc1 390775457 MODGYFYUFDFBTI-UHFFFAOYSA-N 464.979 5.660 50 10 JKGE N#CSc1ccc(NC(=O)Nc2cccc(C(=O)Nc3ccc(N4CCCC4)cc3)c2)cc1 586732549 GKYIHRGMVZRJFM-UHFFFAOYSA-N 457.559 5.756 50 10 JKGE CC(C)(C)[Si](C)(C)OCCc1ccccc1[C@@H]1CCCCN1CCO[Si](C)(C)C(C)(C)C 616615874 DCWKVXZFPYFHMY-VWLOTQADSA-N 477.882 7.800 50 10 JKGE CC(C)(C)OC(=O)Nc1ccc([C@H]2CCc3ccccc3N2CCO[Si](C)(C)C(C)(C)C)cc1 616667825 DXVATIBEWSAIQH-RUZDIDTESA-N 482.741 7.549 50 10 JKGE CN(C(=O)c1scc(Br)c1Br)[C@H](CBr)C(C)(C)C 689249178 YLYSVRKADPFYFB-MRVPVSSYSA-N 462.045 5.155 50 10 JKGE C[C@H](Cl)c1nc2ccc(F)c(Br)c2n1C1CCN(Cc2ccccc2)CC1 689775979 TXEFEEFHGALZHJ-AWEZNQCLSA-N 450.783 6.075 50 10 JKGE Brc1cc2c(c([C@@H](Br)c3ccsc3Br)c1)OCCC2 698588811 OAHARJKWGFRRRG-LBPRGKRZSA-N 467.020 6.082 50 10 JKGE Brc1cc2c(c([C@@H](Br)c3ncsc3Br)c1)OCCC2 698690842 YXRVNUGHOJISQC-SNVBAGLBSA-N 468.008 5.477 50 10 JKGE CCOc1ccc(Br)cc1[C@H](Cl)c1cccc(F)c1I 721696503 GLGCXKAPDUBMLJ-CQSZACIVSA-N 469.519 5.920 50 10 JKGE CCc1ccccc1NC(=O)/C(C#N)=C\c1ccc(OCc2ccc(Cl)cc2Cl)cc1 1084243941 FAROTLHUDNUREV-MOSHPQCFSA-N 451.353 6.680 50 10 JKGE CC(C)(C)OC(=O)N1C[C@H](c2ccc(C(F)(F)F)cc2F)[C@@H](CI)C1 1614627456 LTNQZVSUTASUSH-GWCFXTLKSA-N 473.248 5.230 50 10 JKGE CC(C)Cc1ccc([C@@H]2CN(C(=O)OCc3ccccc3)C[C@H]2CI)cc1 1614630134 UIGHQDVYTLUWCJ-YADHBBJMSA-N 477.386 5.672 50 10 JKGE O=C(CSc1nc(-c2ccc(Cl)cc2)cs1)NN=Cc1ccccc1OCc1ccccc1 1772754957 CKEMDUHUSNLFIW-UHFFFAOYSA-N 494.041 6.285 50 10 JKGE N#CC1=C(N)Oc2c(c(C(F)(F)F)nn2Cc2ccccc2F)[C@@H]1c1ccc(Cl)c(Cl)c1 1865686502 WYZSYGPPWPWVNT-MRXNPFEDSA-N 483.252 5.614 50 10 JKGE COc1ccc(-c2nn(Cc3ccc(C)cc3)c3c2[C@H](c2cc(Cl)ccc2O)C(C#N)=C(N)O3)cc1 1865688797 AZZZNBWRJUMXPG-XMMPIXPASA-N 498.970 5.493 50 10 JKGE CCCc1nn(Cc2ccc(Cl)c(Cl)c2)c2c1[C@H](c1c[nH]c3ccccc13)C(C#N)=C(N)O2 1865699919 GHQGVCGJPAKNLE-QFIPXVFZSA-N 478.383 5.890 50 10 JKGE Cc1cccc([C@@H]2C(C#N)=C(N)Oc3c2c(-c2ccccc2)nn3-c2ccc(Br)cc2)c1 1865710592 CESDJHFCNMUIEG-JOCHJYFZSA-N 483.369 5.828 50 10 JKGE Cc1ccc(Cn2nc(C(F)(F)F)c3c2OC(N)=C(C#N)[C@@H]3c2ccc(Br)cc2)cc1 1865714974 SBFPBQOZVLGZOY-KRWDZBQOSA-N 489.295 5.239 50 10 JKGE CC[C@@](C)(NC(=O)C[C@H](c1ccc(F)cc1)c1cccc(F)c1)C(=O)Nc1ccc(SC#N)cc1 1866784089 YMYYPVUGOMHLKA-SHQCIBLASA-N 493.579 5.984 50 10 JKGE COc1c(C)cc(Cl)cc1-c1csc(/C(C#N)=C(\O)c2ccc(Cl)cc2[N+](=O)[O-])n1 1872757175 TUJYRIHBPGJWQO-SDXDJHTJSA-N 462.314 6.292 50 10 JKGE COc1cc(C)c(-c2csc(/C(C#N)=C(\O)[C@H]3CC(=O)N(Cc4ccccc4)C3)n2)cc1C 1872757987 FYECEULMHQMLFZ-GYGWLHPRSA-N 459.571 5.277 50 10 JKGE CCc1cccc(C)c1N1C[C@H](/C(O)=C(\C#N)c2nc(-c3cc(C)c(OC)cc3C)cs2)CC1=O 1872758209 PQVFHKGBRLMFEE-OLUGBCFNSA-N 487.625 6.152 50 10 JKGE COc1cccc(-c2csc(/C(C#N)=C/c3ccc(OCc4ccc(C)cc4)c(OC)c3)n2)c1 1872781634 NEROLKNMDGTSFW-YDZHTSKRSA-N 468.578 6.779 50 10 JKGE BrCCCCCOCc1cc(I)ccc1Br 1902212916 KUNAIBPLYRTYKP-UHFFFAOYSA-N 461.963 5.136 50 10 JKGE CC[C@@H](Br)CN(Cc1ccccc1)C(=O)c1cc(Br)ccc1OC 1915091330 VZGKAHHTDMVZBO-OAHLLOKOSA-N 455.190 5.274 50 10 JKGE Cl[C@@H](Cc1ccc(Br)cc1)c1sc(Br)cc1Br 1922941274 NYVLLGDJALBTFN-JTQLQIEISA-N 459.428 6.558 50 10 JKGE Cl[C@H](c1c(Br)sc(Br)c1Br)[C@]12CCCC[C@@H]1CCC2 1924616393 OEYHYHRKFAHVEG-UGQGEIBHSA-N 491.514 7.676 50 10 JKGE Cl[C@H](C[C@]12CCC[C@@H]1C2)c1c(Br)sc(Br)c1Br 2010968342 NNQKRXBPYLHJOG-NQYJQULFSA-N 463.460 6.896 50 10 JKGE Clc1cccc(CC(CBr)(CBr)C2CCC2)c1Br 2029230065 FCXJDJQURLLKAJ-UHFFFAOYSA-N 459.447 6.221 50 10 JKGE FC1(F)CN(Cc2ccccc2)CCN(c2ccc(CBr)c(Br)c2)C1 2032240111 KTAVWHCARWVTTK-UHFFFAOYSA-N 474.187 5.302 50 10 JKGE Cc1c(Br)sc([C@@H](Br)CC2CC3(CCC3)C2)c1Br 2037982755 QOZATHAPHGCPTG-JTQLQIEISA-N 457.069 6.988 50 10 JKGE Cc1c(Br)sc([C@H](Br)[C@@H]2[C@H]3CCC(F)(F)[C@H]32)c1Br 2051237414 CQKOSWPRMOBPCQ-JXOAFFINSA-N 464.995 6.309 50 10 JKGE COc1cc(F)c([C@@H](Br)c2sncc2Br)cc1Br 2082781889 IGCXZRTWIOWQDA-SNVBAGLBSA-N 459.960 5.300 50 10 JKGE Brc1ccc([C@@H](Br)c2ccc(C3CC3)s2)c(I)c1 2086153290 JSPTZKOTKOBTNQ-CQSZACIVSA-N 498.021 6.477 50 10 JKGE Cc1cscc1CC(CBr)(CBr)c1cccc(Br)c1 2088893536 NXFUNWIGOKLGEN-UHFFFAOYSA-N 467.064 6.089 50 10 JKGE Fc1ccc([C@H](Br)c2cc(C3CC3)c(Br)s2)c(Br)c1 2094674558 WQZRNNWPLUGLFH-ZDUSSCGKSA-N 469.011 6.774 50 10 JKGE CCCc1ccccc1[C@@H](Br)c1cc(Br)c(C)cc1Br 2144493977 DHIMLXGTSAMGCR-QGZVFWFLSA-N 461.035 6.957 50 10 JKGE CC[C@]12CO[C@](COc3c(Br)cc(CBr)cc3Br)(C1)C2 2205263532 WTQTUZKMXVQPMC-GASCZTMLSA-N 469.011 5.445 50 10 JKGE Cc1cc(Br)c([C@@H](Br)c2c(Cl)sc(Cl)c2Cl)s1 2215948715 OHCHXKQQUNCNQW-LURJTMIESA-N 455.451 7.325 50 10 JKGE Brc1cc([C@H](Br)[C@@H]2C[C@H]3CCC[C@H](C3)C2)c(Br)s1 2218345085 BOQUZLVYPXSJMS-KEPMVKOISA-N 457.069 6.926 50 10 JKGE COc1ccc([C@H](Br)c2cc(Br)c(Br)cc2F)s1 2218597007 JATJRKSTDNQZII-GFCCVEGCSA-N 458.972 5.905 50 10 JKGE Cc1sc(Br)c(C)c1[C@H](Br)c1cc(Br)ccc1F 2218801498 VMTUONOCPLSAJA-GFCCVEGCSA-N 457.000 6.513 50 10 JKGE CCc1cc(Br)c([C@H](Cl)c2cc(C)ccc2I)s1 2224053427 HRLWNNSPHORGJC-CYBMUJFWSA-N 455.586 6.314 50 10 JKGE Cc1cc(Br)c([C@@H](Br)C23COC(C)(C2)C3)c(C)c1Br 2227350186 VWPKFMZFIHBLDM-WLYUNCDWSA-N 453.012 5.834 50 10 JKGE COc1c(Cl)cc(Br)cc1[C@H](Cl)c1sc(C)c(C)c1Br 2237631747 NVOSUNGMWHRLCG-LBPRGKRZSA-N 459.030 6.880 50 10 JKGE Brc1cc(Br)cc(C[C@H](Br)c2cc3cscc3s2)c1 2277958949 MPQNSYDZLLJMMQ-LBPRGKRZSA-N 481.072 7.167 50 10 JKGE Cc1c([C@H](Br)c2cc3sc(Br)cc3s2)c(Br)nn1C 2278092819 DZOAWQHOECCOFW-LLVKDONJSA-N 485.064 6.014 50 10 JKGE Cc1cc([C@H](Cl)c2cc3sc(Br)cc3s2)ccc1I 2278107282 ZAGRGPHWYDGJSJ-AWEZNQCLSA-N 483.621 6.967 50 10 JKGE CCOc1cc(C=C(C#N)C(=O)NC[C@@H]2CCCO2)ccc1OCc1cccc2ccccc12 2294146944 IZCNKPFRXBAOFV-DEOSSOPVSA-N 456.542 5.020 50 10 JKGE CCCCCCOC(=O)c1ccccc1NC=C(C#N)c1nc(-c2ccc(CC(C)C)cc2)cs1 2295945673 NHNFHUBVCYGGHT-UHFFFAOYSA-N 487.669 7.722 50 10 JKGE CSc1cccc(NC(SCc2ccccc2F)=C(C#N)S(=O)(=O)c2ccccc2)c1 2297350121 XHLUZBUGUJCWNQ-UHFFFAOYSA-N 470.616 6.059 50 10 JKGE COc1cc(C=C(C#N)C(=O)Nc2nc3ccccc3s2)ccc1OCc1ccc([N+](=O)[O-])cc1 2297500417 XVIMEBIKEZSTON-UHFFFAOYSA-N 486.509 5.338 50 10 JKGE CCOC(=O)NN=C1C=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 2297504850 ZGBFIPQSPKDRKC-XFTCRZNHSA-N 454.655 6.427 50 10 JKGE Brc1cc(OCc2ccccc2)ccc1[C@@H](Br)[C@@H]1CC[C@@H]2C[C@@H]2C1 2299536172 WZPIXJDMMSXCQK-LHUKNYEISA-N 450.214 6.900 50 10 JKGE Brc1cc(OCc2ccccc2)ccc1[C@H](Br)[C@@H]1O[C@H]2CC[C@H]1C2 2307420579 NMKIEJCEMZCMLZ-JKTDJZPLSA-N 452.186 6.032 50 10 JKGE CCOc1cc(C=C(C#N)C(=O)Nc2cccc(C(F)(F)F)c2)c(Br)cc1OC 2313724522 DZZKRNXQRCYGMW-UHFFFAOYSA-N 469.257 5.421 50 10 JKGE Cc1ccc(Cl)cc1[C@@H](Br)c1cc(Br)ccc1OCc1ccccc1 2314448538 IVAIYPVUVIKNCM-OAQYLSRUSA-N 480.627 7.474 50 10 JKGE Cc1ccc(Cl)c([C@H](Br)c2ccc(OCc3ccccc3)cc2Br)c1 2314461733 RQOBRBZOFWVLOA-OAQYLSRUSA-N 480.627 7.474 50 10 JKGE N#CC(=Cc1ccc(OC(=O)C=Cc2ccco2)cc1)c1nc(-c2ccc(Cl)cc2)cs1 2314548672 RYYZYQANEAFYTP-UHFFFAOYSA-N 458.926 6.739 50 10 JKGE CCc1ccc(N2C(=O)[C@@H](Cc3ccc(C)cc3)SC2=C(C#N)C(=O)Nc2ccccc2C)cc1 2314592079 LMRKJCBRZOZPMS-AREMUKBSSA-N 481.621 5.931 50 10 JKGE C=CCNC(=O)C(C#N)=C1S[C@H](Cc2ccc(Cl)c(Cl)c2)C(=O)N1c1ccc(CC)cc1 2314593058 GSQOXRNJYCAOSL-OAQYLSRUSA-N 486.424 5.284 50 10 JKGE COc1cccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)C=Cc4ccccc4Cl)ccc32)c1 2314634267 SZVKJRKDNPWRHY-RUZDIDTESA-N 458.901 5.186 50 10 JKGE COCc1ccc([C@H](Cl)c2cc(I)ccc2Br)s1 2315096942 FVLRIWXHTFURIZ-CYBMUJFWSA-N 457.558 5.590 50 10 JKGE CCCc1sc(Br)cc1[C@H](Br)c1cnn(C)c1Br 2316177488 CNMOMZSKLGFIFS-NSHDSACASA-N 457.029 5.443 50 10 JKGE CCCCCCCCC[C@H](Br)c1sc(Cl)cc1I 2316598412 CDLWBXYQBQDKEW-NSHDSACASA-N 463.650 7.583 50 10 JKGE COc1ccc(C=C2Oc3cc(OCc4ccc(CCl)cc4)ccc3C2=O)c(OC)c1OC 2325339515 ZVZJNSXSTXOTSH-UHFFFAOYSA-N 466.917 5.646 50 10 JKGE N#CC(=C(O)COc1cc(Cl)ccc1Cl)c1nc(-c2ccc(Br)cc2)cs1 2331260641 UJOGUCZWRTYHDS-UHFFFAOYSA-N 482.186 6.751 50 10 JKGE Cc1csc(C(C#N)=C(O)CCCCCCCCCCN2C(=O)c3ccccc3C2=O)n1 2331400030 BQAFWOHCYJONBR-UHFFFAOYSA-N 451.592 6.051 50 10 JKGE CCCCCCOc1ccc(C=C(C#N)c2nc(-c3ccc(OCC)cc3)cs2)cc1OC 2331441031 OGHIEARALBQBLR-UHFFFAOYSA-N 462.615 7.241 50 10 JKGE COc1cc(C=C(C#N)c2nc(-c3c(C)c(C)cc(C)c3C)cs2)ccc1OCCc1ccccc1 2331468358 BMNSHDMSRUWYPW-UHFFFAOYSA-N 494.660 7.738 50 10 JKGE CCOc1ccc(-c2csc(C(C#N)=Cc3cccc(Br)c3)n2)c(OCC)c1 2331473504 CORWRVBHMRXXIA-UHFFFAOYSA-N 455.377 6.434 50 10 JKGE Brc1ccc(Br)c([C@@H](Br)[C@@H]2C[C@H]2C2CCOCC2)c1 2332689199 VQWFEVAKIDQZJE-ZOWXZIJZSA-N 453.012 5.710 50 10 JKGE Cc1cc(Br)c(C)c([C@@H](Br)[C@@H]2C[C@H]2C(C)(F)F)c1Br 2332925400 GWPAQVFJVFCUCI-KKFJDGPESA-N 460.982 6.556 50 10 JKGE Cc1cc(Br)c([C@@H](Br)[C@@H]2C[C@@H]2C(F)(F)F)c(C)c1Br 2333708715 NYQVTQDISSQBGN-LWINAJNOSA-N 464.945 6.463 50 10 JKGE Cc1cc(Br)c([C@@H](Br)[C@H]2C[C@@H]3CC[C@H]2C3)c(C)c1Br 2334328142 XNLXNAGJEJSBHH-YRORDHRNSA-N 451.040 6.701 50 10 JKGE COc1ccc([C@H](Br)c2c(C)cc(Br)c(F)c2Br)s1 2339681810 MARKOIQBALVAHM-NSHDSACASA-N 472.999 6.214 50 10 JKGE Cc1cc([C@H](Br)c2ccc(Cl)cc2I)c(Cl)cc1F 2340063754 MGFPQAXIOOGCHP-CQSZACIVSA-N 473.938 6.530 50 10 JKGE C=CC[C@]1(CBr)CCCN1Cc1ccc(Cl)cc1I 2341035510 QHGVIRXTXTWZRV-OAHLLOKOSA-N 454.577 5.250 50 10 JKGE CN(Cc1ccc(I)c(Br)c1)[C@@H]1CCCCC[C@H]1Cl 2349857917 DAZFSIDJXBQWHN-UKRRQHHQSA-N 456.593 5.426 50 10 JKGE COc1cccc(OC)c1[C@H](Br)c1ccc(OCc2ccccc2)cc1Br 2361195872 SLHRWBSZHHEWHD-JOCHJYFZSA-N 492.207 6.530 50 10 JKGE Fc1c(Br)cc(Cl)c([C@H](Cl)[C@H]2CC[C@@H]3[C@H]2C3(F)F)c1Br 2362238202 HYGMSVMBXAMPBX-AUXFSOFUSA-N 452.923 6.575 50 10 JKGE CCC1CCC([C@@H](Br)c2c(Cl)cc(Br)c(F)c2Br)CC1 2362253003 HHXMAGBKSGOMTG-KJHLLKJSSA-N 491.464 7.657 50 10 JKGE COc1c(Br)cc(C)c([C@H](Br)[C@@H]2C[C@H]3CC[C@H]2C3)c1Br 2365187567 BNNFGLLGMNUBLW-KZWBYHQPSA-N 467.039 6.401 50 10 JKGE COc1c(Br)cc(C)c([C@H](Br)[C@@H]2[C@H]3CCCC[C@H]32)c1Br 2365193710 KGWQGGPKJBQSCU-PJQZNRQZSA-N 467.039 6.401 50 10 JKGE CC1(C)CC[C@@H](CC(CBr)(CBr)c2cccc(Br)c2)C1 2367693324 VNRJFKZDAPZLIO-CYBMUJFWSA-N 467.083 6.693 50 10 JKGE C[C@H]1CC2CC([C@@H](Br)c3c(F)cc(Br)c(F)c3Br)(C2)O1 2368129567 XGVMSMOKEMXLIR-LTCSMMJFSA-N 474.965 5.883 50 10 JKGE C=CCOc1ccccc1/C=C(/C#N)C(=O)Nc1ncc(Cc2cc(Cl)ccc2Cl)s1 2553504 OFOIXFRDENJIIC-YVLHZVERSA-N 470.381 6.151 50 10 JKGE C=CCn1c(SCC(=O)N/N=C/c2ccc(C)cc2)nc2scc(-c3ccc(C)cc3)c2c1=O 8950471 ABJLNYSRJYDSFY-MZJWZYIUSA-N 488.638 5.170 50 10 JKGE O=C(COc1ccc(Cl)cc1Br)N/N=C/c1ccccc1OCc1ccccc1 13986053 FBQCSRCYHXNVHA-DHRITJCHSA-N 473.754 5.211 50 10 JKGE O=C(NCCCCCCCl)NCCNc1c(Cl)c(Cl)c(Cl)c(Cl)c1Cl 15775999 QSSBZUQWMDVNLO-UHFFFAOYSA-N 470.055 6.464 50 10 JKGE COc1cccc2cc(-c3nn(-c4ccccc4)cc3/C=C(/C#N)S(=O)(=O)c3ccccc3)oc12 33515865 ARXMIVSRJCCDLF-HAHDFKILSA-N 481.533 5.632 50 10 JKGE N#C/C(=C\c1ccc(N2N=C(c3ccccc3)C[C@H]2c2ccccc2)cc1)c1ccc(Cl)cc1Cl 33568769 LLVPCUOAGHELAA-MTSDRYNISA-N 494.425 8.413 50 10 JKGE CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(Cl)cc2)ccc1Oc1nc(Cl)ncc1F 33759776 NARDRQBJJAGVFZ-NTEUORMPSA-N 473.291 5.659 50 10 JKGE CCCCCOc1ccc(/C=C2/C(=O)N(Cc3ccccc3)C(=O)C(C#N)=C2C)cc1OCC 38605969 ZINJJWMUKPKBPG-XQNSMLJCSA-N 458.558 5.447 50 10 JKGE CC(C)c1ccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)[C@@H](C)Oc4ccc(F)cc4)ccc32)cc1 38649536 DEGFODVHYHHGPT-WGDIFIGCSA-N 472.516 5.540 50 10 JKGE CC(C)(C)c1ccc(OCC(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@H]3c2cccc(F)c2)cc1 38678189 IHTYPOZXGYKCFX-SANMLTNESA-N 472.516 5.326 50 10 JKGE CCCCOc1ccccc1[C@@H]1C(C#N)=C(N)Oc2cc(OC(=O)c3ccccc3OCC)ccc21 38683114 CTVQZZWVIJEUMA-MHZLTWQESA-N 484.552 5.702 50 10 JKGE C=CCOc1cccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4ccc(OC(C)C)cc4)ccc32)c1 38684564 IEOXJLGLVWCJPE-HHHXNRCGSA-N 482.536 5.476 50 10 JKGE CCCCOc1cccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4cccc5ccccc45)ccc32)c1 38685180 OWIYRIUWZGOERE-GDLZYMKVSA-N 490.559 6.456 50 10 JKGE Cc1ccc2oc(C(=O)Oc3ccc4c(c3)OC(N)=C(C#N)[C@H]4c3ccc(C(C)C)cc3)c(C)c2c1 38687122 AINSLYWCEXPIGN-MHZLTWQESA-N 478.548 6.610 50 10 JKGE COc1cccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4sc5ccccc5c4Cl)ccc32)c1 38687294 ZDIFFIFTPGNCOZ-JOCHJYFZSA-N 488.952 6.001 50 10 JKGE CCc1ccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4oc5ccccc5c4C)ccc32)cc1 38700440 YHEUHGNVMHJWCM-VWLOTQADSA-N 450.494 5.741 50 10 JKGE O=C(CCCc1c(-c2ccc3ccccc3n2)[nH]c2ccc(Cl)cc12)NNC(=O)c1ccccc1 39867465 NXWPRSMDNHLKJS-UHFFFAOYSA-N 482.971 5.820 50 10 JKGE COc1cc(/C=N/NC(=O)COc2cc(C)c(Cl)c(C)c2)ccc1OCc1ccccc1Cl 40846836 NODYWWWJZDEXMV-XODNFHPESA-N 487.383 5.727 50 10 JKGE CCCCOc1ccc(/C=N/NC(=O)CSc2nnc(-c3ccccc3)s2)cc1OCC 40947764 JCXKSHVZSWQMLD-BUVRLJJBSA-N 470.620 5.025 50 10 JKGE CC1=C(C#N)C(=O)N(Cc2ccccc2)C(=O)/C1=C/c1ccc(-c2ccc(Cl)c(Cl)c2)o1 101335080 HECBCJPMOQGHOL-XDHOZWIPSA-N 463.320 6.046 50 10 JKGE C[C@@H](NC(=O)/C(C#N)=C1/N=C(NC(=O)c2ccc(C(C)(C)C)cc2)c2ccccc21)c1ccccc1 102985026 RKXVPAYQXPNCKS-JOOHTTSLSA-N 476.580 5.286 50 10 JKGE COc1ccc(-c2cn(-c3ccccc3)nc2C(=O)NNc2ccccc2C(F)(F)F)cc1OC 105437523 DZRQJFSBFSGBBA-UHFFFAOYSA-N 482.462 5.332 50 10 JKGE CCCOc1ccc([C@H](Br)c2cc(C)cc(Br)c2)cc1Br 132035866 YUQVLIQPVUBIPV-KRWDZBQOSA-N 477.034 6.793 50 10 JKGE CCc1cc(CC)c([C@H](Br)c2cccc(I)c2)c(CC)c1 148116018 CWFWDXYEBHOSGX-LJQANCHMSA-N 457.193 6.463 50 10 JKGE CCCCN1C(=O)C(C#N)=C(C)/C(=C/c2cn(-c3ccccc3)nc2-c2ccc(F)cc2)C1=O 214224587 JJQYQKQVKRFICR-HAHDFKILSA-N 454.505 5.071 50 10 JKGE CCC[C@H](CCBr)CNC(=O)c1cc(Br)c(Br)s1 227498962 JNSHZBLGJITUCT-MRVPVSSYSA-N 462.045 5.204 50 10 JKGE O=[N+]([O-])c1ccccc1C[C@H](Br)c1cc(Br)sc1Br 232475232 BTVVEGGENJKYFZ-VIFPVBQESA-N 469.980 5.860 50 10 JKGE Cc1cc(F)c([C@@H](Cl)c2cc(I)ccc2Br)cc1F 235921042 JEQBYVWNNIGKRL-AWEZNQCLSA-N 457.483 5.969 50 10 JKGE CC(=NNC(=O)c1cc(-c2cc(C)ccc2C)nc2ccccc12)c1cccc(NS(C)(=O)=O)c1 254300540 ASFAYBONTWBFLM-UHFFFAOYSA-N 486.597 5.044 50 10 JKGE CCCCCCCCCCCCCC(=O)NN=Cc1cn(-c2ccccc2)nc1-c1ccc(F)cc1 254380791 MCJFIFKCKLEWNR-UHFFFAOYSA-N 490.667 7.830 50 10 JKGE Cc1ccc(C=NNC(=O)CSc2nnc(SCc3cccc4ccccc34)s2)s1 254619626 UTRQQAPPTBFMGI-UHFFFAOYSA-N 470.670 5.596 50 10 JKGE Fc1c(Br)cccc1[C@@H](Br)c1scc(C(F)(F)F)c1Br 312776410 FCSYLRBRMDXCHT-MRVPVSSYSA-N 496.943 6.915 50 10 JKGE Fc1cc(Br)cc(COc2c(Br)cc(Br)cc2CCl)c1 312841231 WAZOVMVYWFBHAH-UHFFFAOYSA-N 487.388 6.431 50 10 JKGE Fc1ccc(C(CBr)(CBr)Cc2ccc(Br)o2)cc1 380831586 TUVORCWQCWNUBF-UHFFFAOYSA-N 454.959 5.452 50 10 JKGE Cc1sc(Br)cc1[C@H](Br)c1cccc(OCc2ccccc2)c1 381970128 JTWHWBZZAOJTJV-LJQANCHMSA-N 452.211 6.882 50 10 JKGE C[C@H](Cl)c1nc2cc(C(F)(F)F)ccc2n1CCCN(Cc1ccccc1)Cc1ccccc1 390610001 ZIMSOVGMOJVWSO-FQEVSTJZSA-N 485.981 7.447 50 10 JKGE CC(C)(C)OC(=O)NCCN1C[C@@H](c2ccccc2CO[Si](C)(C)C(C)(C)C)Nc2ccccc21 616691995 HLTAGDLWYZCPIX-DEOSSOPVSA-N 497.756 6.706 50 10 JKGE Cc1cc(Br)c([C@@H](Br)Cc2ccc(Br)cc2F)s1 692781152 ITTZQAVKFCHQSY-NSHDSACASA-N 457.000 6.399 50 10 JKGE Fc1cc(Br)cc(CBr)c1OCc1ncc(Br)s1 715716658 HTQLBLGSHNTJII-UHFFFAOYSA-N 459.960 5.281 50 10 JKGE C[C@H](Cl)c1nc2cc(I)ccc2n1Cc1cnc(Br)s1 718873392 JGJMLWNWSXFQAF-ZETCQYMHSA-N 482.572 5.208 50 10 JKGE Fc1cc(COc2c(Br)cc(Br)cc2CCl)ccc1Br 722005065 LFHAGUCWTDVWRB-UHFFFAOYSA-N 487.388 6.431 50 10 JKGE Cc1sc([C@@H](Br)c2cccc(Br)c2Cl)c(C)c1Br 724910469 VHNSDVURSCNDMT-NSHDSACASA-N 473.455 7.028 50 10 JKGE O=C(NN=Cc1cc(Cl)c(OCc2ccc(F)cc2)c(Cl)c1)c1cc2ccccc2o1 1084017625 KZTIFVAVCFHAMA-UHFFFAOYSA-N 457.288 6.222 50 10 JKGE CCOc1cc(C=NNC(=O)c2cccc(Cl)c2)cc(Cl)c1OCc1ccccc1Cl 1084032063 PTYZQAGGYUVQGL-UHFFFAOYSA-N 477.775 6.388 50 10 JKGE CCOc1cc(C=NNC(=O)C=C(Sc2ccccc2)Sc2ccccc2)ccc1O 1084528782 MGMBTYOMTBOWQY-UHFFFAOYSA-N 450.585 5.667 50 10 JKGE CC(=NNC(=O)CSc1ccccc1)c1ccc2c(c1)[C@@H]1C=CC[C@@H]1[C@H](c1ccc(F)cc1)N2 1084620988 FOEMBQDVOSBNER-NYULUDCUSA-N 471.601 6.285 50 10 JKGE O=C(OCc1ccccc1)N1C[C@@H](CBr)[C@@H](c2ccc(Br)c([N+](=O)[O-])c2)C1 1614619215 AHKBKXYKUZUVFP-HZPDHXFCSA-N 498.171 5.104 50 10 JKGE COc1ccc(/C(C#N)=C/c2ccc(OC(=O)c3cc4ccccc4oc3=O)cc2)cc1OC 1615099414 WYPITYQKJQEALU-DEDYPNTBSA-N 453.450 5.094 50 10 JKGE CCc1ccccc1NC(=O)c1oc2c(c1C)C(=NNC(=O)c1ccc(-c3ccccc3)cc1)CCC2 1772747940 SWZREESHOVSGLJ-UHFFFAOYSA-N 491.591 6.540 50 10 JKGE COc1cc(C=NNC(=O)COc2cc(C)ccc2C)cc(Br)c1OCc1ccccc1 1772754061 MRMQGRMQVVHEHS-UHFFFAOYSA-N 497.389 5.183 50 10 JKGE N#CSc1ccc(NC(=O)Oc2ccc(CNC(=O)/C=C/c3ccc([N+](=O)[O-])cc3)cc2)cc1 1858904438 OXFKFNKYPCIJKC-LHHJGKSTSA-N 474.498 5.108 50 10 JKGE N#CC1=C(N)Oc2c(c(C(F)(F)F)nn2-c2cccc3ccccc23)[C@H]1c1ccccc1F 1865683344 JIBOVMWKFNKECK-IBGZPJMESA-N 450.395 5.402 50 10 JKGE CCCc1nn(CC(C)C)c2c1[C@H](c1ccc(OCc3ccccc3)c(OC)c1)C(C#N)=C(N)O2 1865687500 SLBIANATCJIKGD-RUZDIDTESA-N 472.589 5.297 50 10 JKGE CCOc1cccc([C@H]2C(C#N)=C(N)Oc3c2c(-c2ccccc2)nn3Cc2cccc(Cl)c2)c1 1865690066 HYIWKBOEEZEDTL-DEOSSOPVSA-N 482.971 5.869 50 10 JKGE CCOc1ccc([C@@H]2C(C#N)=C(N)Oc3c2c(-c2ccccc2)nn3Cc2ccc(Cl)cc2)cc1 1865694687 ZFPZFSFMIZOXQY-XMMPIXPASA-N 482.971 5.869 50 10 JKGE CCc1nn(Cc2ccc(Cl)cc2)c2c1[C@@H](c1ccc(OC(C)C)c(OC)c1)C(C#N)=C(N)O2 1865696905 LGWDFFVWYCGEJA-QHCPKHFHSA-N 478.980 5.161 50 10 JKGE CCCCOc1ccc([C@@H]2C(C#N)=C(N)Oc3c2c(CCC)nn3-c2ccc(Cl)cc2)cc1OC 1865697577 XCEMDAMVZWRNLT-XMMPIXPASA-N 493.007 5.884 50 10 JKGE Cc1nn(-c2cccc3ccccc23)c2c1[C@@H](c1cc(Br)ccc1F)C(C#N)=C(N)O2 1865702419 VIGAVLRALQUBES-QFIPXVFZSA-N 475.321 5.454 50 10 JKGE N#CC1=C(N)Oc2c(c(C(F)(F)F)nn2-c2ccccc2Cl)[C@H]1c1ccc(F)cc1F 1865702538 WQXBYXQTUBHJMS-HNNXBMFYSA-N 452.770 5.041 50 10 JKGE Cc1ccc(-n2nc(C)c3c2OC(N)=C(C#N)[C@H]3c2c(OCc3ccccc3)ccc3ccccc23)cc1 1865704535 YEQUFSRRLPAQMK-SSEXGKCCSA-N 498.586 6.440 50 10 JKGE Cc1nn(Cc2ccc(Cl)c(Cl)c2)c2c1[C@@H](c1ccc(Br)cc1)C(C#N)=C(N)O2 1865714380 ISBUVDSUYXREQW-IBGZPJMESA-N 490.188 5.527 50 10 JKGE Cc1nc(-c2ccc(Cl)cc2)ccc1C(=O)NNC(=O)CC(c1ccccc1)c1ccccc1 1865755593 HFDJVFLOUKWMRG-UHFFFAOYSA-N 469.972 5.694 50 10 JKGE CC(C)CSc1ccc(C(=O)NNC(=O)CCCOc2ccc(Cl)cc2Cl)cc1 1865757990 DLGDPYAPRCMJNE-UHFFFAOYSA-N 455.407 5.362 50 10 JKGE COc1ccc(Br)cc1/C=C1\Oc2cc(OCc3ccc(CCl)cc3)ccc2C1=O 1871436689 LJHRPVQTUGYIRX-KSEXSDGBSA-N 485.761 6.392 50 10 JKGE Cc1ccc(C)c(-c2csc(/C(C#N)=C(\O)[C@H](C(C)C)N3C(=O)c4ccccc4C3=O)n2)c1 1872749962 PYBRISLMWKOAJA-MBDQKHHZSA-N 457.555 5.540 50 10 JKGE CC[C@H](C)[C@H](/C(O)=C(\C#N)c1nc(-c2c[nH]c3ccccc23)cs1)N1C(=O)c2ccccc2C1=O 1872753127 IGPKTOCXNJZQIP-WMYZDNAPSA-N 482.565 5.795 50 10 JKGE N#C/C(=C(/O)COc1cc(Cl)ccc1Cl)c1nc(-c2ccc(Oc3ccccc3)cc2)cs1 1872753945 VRHGASAHDCHRSG-ATJXCDBQSA-N 495.387 7.781 50 10 JKGE CCCOc1ccc(-c2csc(/C(C#N)=C/c3ccc(OCc4ccccc4Cl)cc3)n2)cc1 1872790909 LHHQCBOWPGYGHC-XQNSMLJCSA-N 487.024 7.895 50 10 JKGE COc1ccc(C(C)(C)C)cc1-c1csc(/C(C#N)=C/c2c(OC)ccc3ccccc23)n1 1872793081 HMVFDEQKNBKSEK-XMHGGMMESA-N 454.595 7.342 50 10 JKGE FC1([C@@H](Br)c2c(Br)sc(Br)c2Br)CC1 1905896983 LPFJNFYTVRZBAD-YFKPBYRVSA-N 471.809 5.974 50 10 JKGE C[C@H](Br)CN(Cc1ccccc1)C(=O)c1csc(Br)c1Br 1914668707 VHJFYKJHLRXTAH-JTQLQIEISA-N 496.062 5.699 50 10 JKGE C[C@H](CCBr)N(Cc1ccccc1)Cc1cc(Br)cc2c1OCC2 1915116708 XMTIXPYMNLAIKY-OAHLLOKOSA-N 453.218 5.560 50 10 JKGE CN(C[C@@H](Cl)COCc1ccccc1)C(=O)c1scc(Br)c1Br 1916392567 AYKXNPDYUQPSPJ-GFCCVEGCSA-N 481.637 5.169 50 10 JKGE Cc1cccc([C@@H](Br)[C@@H](C)c2ccncc2Br)c1I 1924038178 DTMJXKQMDMLOTO-HZMBPMFUSA-N 494.996 5.997 50 10 JKGE Clc1ccccc1C[C@H](Cl)c1c(Br)sc(Br)c1Br 1924589651 DRFMKMNBBHGYCD-QMMMGPOBSA-N 493.873 7.212 50 10 JKGE Cc1ccc(Cl)c([C@H](Br)c2sc(Br)c(C)c2Br)c1 1925497848 COZKANQRQNDKHK-NSHDSACASA-N 473.455 7.028 50 10 JKGE Clc1sc(Cl)c([C@H](Br)c2ccccc2OCc2ccccc2)c1Cl 1925601667 XEZURAZSCYZDIY-OAHLLOKOSA-N 462.623 7.772 50 10 JKGE Cc1sc(Br)c([C@@H](Br)c2csc(I)c2)c1C 1993989447 PHUZHYOOMJJJFV-JTQLQIEISA-N 492.039 6.278 50 10 JKGE Cc1c(Br)sc([C@H](Br)[C@@]2(C)CCCC2(F)F)c1Br 2048971926 VZZFVHTWVNVCGU-GXSJLCMTSA-N 467.011 6.843 50 10 JKGE CC(C)(C)OC(=O)NCCSSCCN[C@@H]1CC[C@H]2CCCN(C(=O)OC(C)(C)C)[C@H]2C1 2061264804 UCHCKZKEWINXSE-QRVBRYPASA-N 489.748 5.050 50 10 JKGE C[C@@H]1O[C@@]2([C@@H](Cl)c3c(Br)sc(Br)c3Br)CC[C@H]1C2 2078506812 XXICRSQVUXZTFV-BRYRRJJASA-N 479.459 6.273 50 10 JKGE COc1c(Cl)cc(Br)cc1[C@@H](Br)c1csnc1Br 2082866094 NIZOOAQOFRRGSF-SECBINFHSA-N 476.415 5.814 50 10 JKGE COc1cc(Br)c(C)cc1[C@H](Br)c1cc(Br)oc1C 2089732488 IUSJGETXRZOVDB-CQSZACIVSA-N 452.968 5.914 50 10 JKGE Clc1c(CBr)cccc1OCc1cccc(Br)c1Br 2092330081 DRLXTGYJLZPHOW-UHFFFAOYSA-N 469.398 6.339 50 10 JKGE Fc1cccc(C[C@@H](Br)c2c(Br)cccc2Br)c1F 2094100861 WTVCYAKBMPCZDO-LLVKDONJSA-N 454.934 6.169 50 10 JKGE C[C@@H](c1ccncc1Br)[C@H](Br)c1nn(C)c(Cl)c1Br 2110717363 HFNHWZBLRFLQFS-RCOVLWMOSA-N 472.406 5.233 50 10 JKGE Fc1c(Cl)cccc1C[C@H](Br)c1cc(Cl)ccc1I 2113462857 FHDPEJHYLNJZRV-NSHDSACASA-N 473.938 6.416 50 10 JKGE CO[C@H]1C[C@@H]([C@@H](Br)c2sc(Br)c(C)c2Br)C[C@H]1OC 2118284844 DUHHESGYYMESIN-PKIKSRDPSA-N 477.056 5.458 50 10 JKGE C[C@]1([C@H](Cl)c2c(Br)sc(Br)c2Cl)CCCC(F)(F)C1 2132123020 MEECZBHVTPTTMV-KCJUWKMLSA-N 457.005 7.422 50 10 JKGE Cc1cc(Br)c(C)c([C@@H](Br)C2(C(C)(F)F)CC2)c1Br 2136367403 QLQMCIFIZFKQIE-GFCCVEGCSA-N 460.982 6.700 50 10 JKGE Cc1c(Br)ccc([C@H](Br)C2CC3(C2)CC3(F)F)c1Br 2138873357 OZBBVMVLERKZRL-ATVVMRJVSA-N 458.966 6.391 50 10 JKGE Clc1sc(Br)c(Cl)c1[C@H](Br)C1CC2(C1)CC1(CCC1)C2 2157161949 WRJAICRCFBADAF-SNVBAGLBSA-N 459.074 7.614 50 10 JKGE FC1(F)CN(Cc2ccccc2)CCCCN(c2cccc(Cl)c2CBr)C1 2164874561 BIYJIUKEJIFFAR-UHFFFAOYSA-N 457.790 5.973 50 10 JKGE Cc1ccc(Br)c(CC(CBr)(CBr)c2ccccc2)n1 2169028021 QOEVUQIRRQBJNX-UHFFFAOYSA-N 462.023 5.423 50 10 JKGE Fc1cc(Br)cc(N2CC[C@H]3CCN(Cc4ccccc4)C[C@H]3C2)c1CBr 2170690376 CSRLGPMULXFGQY-MSOLQXFVSA-N 496.262 5.832 50 10 JKGE COCC1(COC)C[C@H](Br)[C@@H](c2c(Br)cccc2Br)C1 2190808936 BWTZISYXXICGIK-GWCFXTLKSA-N 471.027 5.132 50 10 JKGE COc1cc(F)c([C@@H](Br)c2cc(C)ccc2Br)cc1Br 2202903363 CYHDTJIYQQAWTN-HNNXBMFYSA-N 466.970 6.152 50 10 JKGE Brc1ccc([C@H](Br)[C@@H]2CC[C@H]3CCCC[C@@H]3C2)c(Br)c1 2203687117 PBXVXAIJEPAJJP-HPTBWKMGSA-N 465.067 7.254 50 10 JKGE Brc1ccc([C@H](Br)[C@@H]2CCC[C@@H]3CCCC[C@H]32)c(Br)c1 2203687519 RSGYWYXYGIKTAL-ZCTGUTNYSA-N 465.067 7.254 50 10 JKGE Cc1c(Br)ccc([C@@H](Br)[C@H]2CCCCCC2(F)F)c1Br 2203707325 VLAHFWBFWYOIDQ-BXUZGUMPSA-N 475.009 7.172 50 10 JKGE COc1c(Br)cc(C)cc1[C@H](Br)c1c(F)cccc1Br 2203830263 OASMFMDIWCEWFD-AWEZNQCLSA-N 466.970 6.152 50 10 JKGE Fc1ccc([C@@H](Br)c2cc(Br)cc(Br)c2)c(F)c1F 2225934090 VCZNOGRKGSZDBN-NSHDSACASA-N 458.897 6.113 50 10 JKGE O=[N+]([O-])c1ccc([C@@H](Br)c2c(Br)cc(Cl)c(Cl)c2Cl)o1 2232510202 GCYOQSUWEGOCOK-SECBINFHSA-N 464.324 6.395 50 10 JKGE CC[C@H](CC(F)(F)F)[C@@H](Br)c1c(Br)cc(C)c(Br)c1C 2235609370 NIYPJKNMLZFGCU-NOZJJQNGSA-N 480.988 7.243 50 10 JKGE COc1cc(Br)c([C@H](Cl)c2ccc(F)cc2I)cc1C 2236009021 KJFUGCUBJJZFEC-OAHLLOKOSA-N 469.519 5.838 50 10 JKGE O=C(c1scc(Br)c1Br)N1C[C@H](Br)CC12CCCCC2 2241041485 VLCBFHYPOIRSSN-SECBINFHSA-N 486.067 5.585 50 10 JKGE CC(C)(C)OC(=O)N1C[C@H](Br)[C@@H](OCc2cc(Br)ccc2Cl)C1 2245931103 QTSMJQXGCSAPRK-JSGCOSHPSA-N 469.601 5.002 50 10 JKGE CC(C)c1cc(Br)cc(C(=O)N(Cc2ccccc2)[C@H](C)CCBr)c1 2254762600 XNEHVVMXANBVDX-MRXNPFEDSA-N 467.245 6.388 50 10 JKGE CN(Cc1cccc(I)c1)c1ccc(CBr)cc1Cl 2265542566 CBINCFZHNJMVCD-UHFFFAOYSA-N 450.545 5.476 50 10 JKGE COc1ccc([C@@H](Br)c2ccc(Br)c(F)c2)cc1I 2269553592 CVJAFBLXEIXOPY-AWEZNQCLSA-N 499.943 5.686 50 10 JKGE COc1sc([C@H](Br)c2cc(Br)c(F)cc2Cl)cc1Br 2270434076 JJTLURLVGQWBOC-LLVKDONJSA-N 493.417 6.559 50 10 JKGE Cc1csc([C@H](Br)c2c(F)cc(Br)c(F)c2Br)c1Cl 2272850752 YQPQHPODNNOHDV-SECBINFHSA-N 495.408 6.997 50 10 JKGE FC1(F)[C@H]2C[C@H]([C@@H](Br)Cc3cc(Br)cc(Br)c3)C[C@H]21 2277954034 VTSGUPXWWPOKHX-KNDHEWATSA-N 458.966 5.809 50 10 JKGE Brc1cc(Br)cc(C[C@@H](Br)[C@H]2C[C@@H]3CCC[C@@H]3C2)c1 2277954565 YAOVUNUOAFQRNE-OQMKEHIESA-N 451.040 6.344 50 10 JKGE Cc1ccc([C@@H](Cl)Cc2cc(Br)cc(Br)c2)c(Br)c1 2277957799 XCTQARMVWMAELG-HNNXBMFYSA-N 467.426 6.805 50 10 JKGE CCOc1ccc(Br)cc1[C@@H](Cl)c1c(F)cccc1I 2282892949 GJKALEXERAEKMN-OAHLLOKOSA-N 469.519 5.920 50 10 JKGE CC(C)c1ccc(C=C(C#N)C(=O)Nc2ncc(Cc3cccc(C(F)(F)F)c3)s2)cc1 2293038470 FGNLYUOWEUPMFN-UHFFFAOYSA-N 455.505 6.422 50 10 JKGE N#CC(=Cc1ccc(Oc2ccc([N+](=O)[O-])cn2)cc1)C(=O)Nc1ccc(Cl)c(Cl)c1 2294175284 SMWZCRXHWCARQL-UHFFFAOYSA-N 455.257 5.635 50 10 JKGE Cc1cc([C@H](Br)Cc2cc(Br)cc(Br)c2)cc(C)c1F 2295274770 NWSCPQUJHIMLDM-OAHLLOKOSA-N 464.998 6.646 50 10 JKGE COc1c(Br)cc([C@H](Br)c2occc2Br)c(OC)c1C 2295428347 ONMIDPTWPPKVJZ-NSHDSACASA-N 468.967 5.615 50 10 JKGE CCCCOc1cccc(NC=C(C#N)c2nc(-c3cccc(Br)c3)cs2)c1 2295894323 HUGGXYYBFVPLRS-UHFFFAOYSA-N 454.393 6.728 50 10 JKGE CCCCOc1ccc(-c2nn(-c3ccccc3)cc2C=C(C#N)C(=O)NC[C@@H]2CCCO2)c(C)c1 2296706849 ZKCNNZABIFVMRI-SANMLTNESA-N 484.600 5.229 50 10 JKGE Cc1ccc(C=C(C#N)C(=O)N2N=C3C(=Cc4ccccc4)CCC[C@@H]3[C@@H]2c2ccccc2)cc1 2297021082 FXTNDRZPXFXGSK-JDXGNMNLSA-N 457.577 6.725 50 10 JKGE COc1cccc(NC(SCc2ccccc2Cl)=C(C#N)C(=O)NCc2cccs2)c1 2297414546 HPJWMJKYHIRCBN-UHFFFAOYSA-N 470.019 5.807 50 10 JKGE Brc1ccc(OCc2ccccc2)c([C@H](Br)C[C@]23CCC[C@H]2C3)c1 2299526469 YBBZUVZONTZUKG-LDQXTDLNSA-N 450.214 7.044 50 10 JKGE C[C@]1([C@@H](Br)c2sc(Cl)cc2I)CCCC1(F)F 2300953969 QPBBBJHHMQJRAM-VHSXEESVSA-N 455.533 6.268 50 10 JKGE N#CC(=Cc1ccc(OCc2ccc(Cl)c(Cl)c2)cc1)C(=O)N1CCN(c2ccccc2)CC1 2313565291 GZVWSXGDMGORSU-UHFFFAOYSA-N 492.406 5.828 50 10 JKGE CCNC(=O)C(C#N)=Cc1cn(-c2ccccc2)nc1-c1cccc(OCc2ccc(C)cc2)c1 2314478819 WQDBFKZOIKRZRJ-UHFFFAOYSA-N 462.553 5.470 50 10 JKGE CCc1ccc(Oc2nc3c(C)cccn3c(=O)c2C=C(C#N)C(=O)Nc2ccc(F)cc2)cc1 2314532830 MWLAULFXSOADTE-UHFFFAOYSA-N 468.488 5.042 50 10 JKGE CCCOc1ccc(C=C(C#N)C(=O)Nc2scc(-c3ccc(C)cc3)c2C(=O)OCC)cc1 2314716741 KAJHDBZTEZJHGQ-UHFFFAOYSA-N 474.582 6.235 50 10 JKGE CC[C@]1(C)[C@H](Br)CCN1C(=O)c1scc(Br)c1Br 2315138859 LIUHPKYJJJRZGK-PRHODGIISA-N 460.029 5.051 50 10 JKGE C[C@@H]1C[C@@H]1CC[C@H](Br)c1c(Cl)cc(Br)c(F)c1Br 2315445735 AEWHVAPMVDAKJY-CSMHCCOUSA-N 463.410 6.876 50 10 JKGE Cc1ccc([C@H](C)[C@@H](Br)c2sc(Cl)cc2I)cc1 2316768719 BVQOXDBGLCZVOX-TVQRCGJNSA-N 455.586 6.554 50 10 JKGE CCC(=CC(=O)N[C@@H](Cc1ccccc1)C(=O)Nc1ccc(SC#N)cc1)c1ccc(OC)cc1 2329566608 MXIOBVVBCYQBTK-SANMLTNESA-N 485.609 5.428 50 10 JKGE O=C(c1csc(Br)c1Br)N1[C@H]2CCC[C@H]2C[C@@H]1CBr 2329612722 ODSYQMBQVAQNOP-XKSSXDPKSA-N 472.040 5.051 50 10 JKGE CCOc1cc(NC(=O)c2ccccc2)c(OCC)cc1NC(=O)C(C#N)=Cc1cccc(F)c1 2329672154 DRGIUVFIHJFSCS-UHFFFAOYSA-N 473.504 5.421 50 10 JKGE N#CC(=C(O)c1ccc(N2C(=O)c3ccccc3C2=O)cc1)c1nc(-c2cccc(Cl)c2)cs1 2331293804 FMYITGMMLAMSAT-UHFFFAOYSA-N 483.936 6.214 50 10 JKGE COc1ccc(-c2csc(C(C#N)=C(O)Cc3ccc(OCc4ccccc4)cc3)n2)cc1F 2331337429 YRRSAZVVVYFKJG-UHFFFAOYSA-N 472.541 6.572 50 10 JKGE COc1ccc(C(C)(C)C)cc1-c1csc(C(C#N)=C(O)CCCOc2ccccc2Cl)n1 2331350823 XDTKWHHINWSQRH-UHFFFAOYSA-N 483.033 7.421 50 10 JKGE COc1c(C)cc(Cl)cc1-c1csc(C(C#N)=C(O)c2ccc(-c3ccccc3)cc2)n1 2331391872 RAASACNIFZUDEA-UHFFFAOYSA-N 458.970 7.397 50 10 JKGE CCOc1ccc(CCC(O)=C(C#N)c2nc(-c3cc(C(C)(C)C)ccc3C)cs2)cc1OC 2331396844 IBONBKHQHOYRHW-UHFFFAOYSA-N 476.642 7.249 50 10 JKGE COc1cc(C=C(C#N)c2nc(-c3c[nH]c4ccccc34)cs2)ccc1OCc1ccc(Cl)cc1 2331461850 OIRZXXRPGNORAU-UHFFFAOYSA-N 498.007 7.597 50 10 JKGE CCCCCOc1ccc(C=C(C#N)c2nc(-c3cc(C)c(Cl)cc3OC)cs2)cc1OC 2331474142 IZYPLLUIKHSKQD-UHFFFAOYSA-N 483.033 7.422 50 10 JKGE COc1cc(C=C(C#N)c2nc(-c3ccc(Cl)s3)cs2)ccc1OC(=O)c1ccccc1 2331485009 JIYPQLFKTZUPQF-UHFFFAOYSA-N 478.982 6.817 50 10 JKGE CCCCOc1ccc(C=C(C#N)c2nc(-c3ccc(OC)c(OC)c3OC)cs2)cc1OC 2331492826 SVEUAXOPXNZVKN-UHFFFAOYSA-N 480.586 6.088 50 10 JKGE CC12CCC([C@H](Br)c3cc(Br)ccc3OCc3ccccc3)(CC1)CO2 2336076365 YCBMKRVWKAJZHH-ITAUSPCMSA-N 480.240 6.813 50 10 JKGE CC1([C@@H](Br)c2sc(Cl)cc2I)CC2(CC(F)(F)C2)C1 2338561767 CZBGFOXUBKZQDC-JTQLQIEISA-N 481.571 6.658 50 10 JKGE COc1ccc(C[C@H](Br)c2sc(C)cc2Br)c(Br)c1 2338831697 QQCILBCJTSFJJZ-ZDUSSCGKSA-N 469.036 6.269 50 10 JKGE CC(C)c1cc(Br)cc(C(=O)N[C@H](CCBr)COCc2ccccc2)c1 2343417243 FEWLOHLNAITABD-HXUWFJFHSA-N 483.244 5.673 50 10 JKGE FC(F)Oc1cccc([C@H](Cl)c2ccc(OCc3ccccc3)cc2Br)c1 2361196228 VYTLISIAMWKOCU-FQEVSTJZSA-N 453.710 6.958 50 10 JKGE CC(C)(C)c1ccccc1[C@@H](Br)c1ccc(OCc2ccccc2)cc1Br 2361196398 XMAJJYDJVNICNC-HSZRJFAPSA-N 488.263 7.810 50 10 JKGE CCCc1sc(Br)cc1[C@H](Br)Cc1ccc(Cl)c(Cl)c1 2363263340 SMHDOIRORDCZHK-LLVKDONJSA-N 457.058 7.449 50 10 JKGE Cc1cc(Br)c(F)c(Br)c1[C@H](Br)[C@H]1COCCC1(F)F 2365177654 BYXAKTCATZZEHX-GMSGAONNSA-N 480.944 5.767 50 10 JKGE Cc1cc(Br)c(F)c(Br)c1[C@H](Br)C1C[C@@H]2[C@@H](C1)C2(C)C 2365188678 NKSYRTIOBJZOGB-GIPNMCIBSA-N 469.030 6.777 50 10 JKGE Cc1cc(Br)c(F)c(Br)c1[C@@H](Br)C1C[C@H]2CC[C@H](C1)C2 2365219711 JSYCPPGSMQQNIQ-BHDSKKPTSA-N 469.030 6.921 50 10 JKGE Fc1cc(Br)c([C@H](Cl)c2ccc(Cl)cc2I)c(F)c1F 2365597752 KBCVPOBFPHTEPM-LLVKDONJSA-N 495.891 6.453 50 10 JKGE COc1cc(F)c([C@@H](Br)c2ccc(Cl)cc2I)c(F)c1 2365599641 WZUASAFWBKYWIK-AWEZNQCLSA-N 473.482 5.716 50 10 JKGE Brc1cc2c(cc1[C@H](Br)c1ccc(OCc3ccccc3)cc1)CCCO2 2369615777 LYIHZQFZKZHILT-HSZRJFAPSA-N 488.219 6.837 50 10 JKGE C[C@@H]1CC[C@@H](C(C)(C)Cc2cc(I)ccc2Cl)[C@@H](Br)C1 2380530115 YLRZXSBQUGZZRP-DFBGVHRSSA-N 469.632 6.713 50 10 JKGE Fc1cccc(C[C@@H](CBr)Cc2cc(I)ccc2Cl)c1 2380531480 QAQXLVLUSIRKTA-GFCCVEGCSA-N 467.547 5.880 50 10 JKGE O=C(NC1CCCCCC1)[C@H](c1ccc(F)cc1Cl)N(Cc1ccccc1Cl)C(=O)CCl 3039230 FHPUAJRKXABRHD-QHCPKHFHSA-N 499.841 6.280 50 10 JKGE CC(C)(C)CC(C)(C)c1ccc(OCC(=O)N/N=C/c2cc3ccccc3nc2Cl)c([N+](=O)[O-])c1 3186706 YGYPGEDOYHVPGA-CCVNUDIWSA-N 496.995 6.039 50 10 JKGE CC(C)(C)c1ccc(C(=O)Nc2ccc(C(=O)NNC(=O)CCc3ccccc3Cl)cc2)cc1 10458877 NGSKEYYADVCOLD-UHFFFAOYSA-N 477.992 5.284 50 10 JKGE CC(C)CN(CC(C)C)c1ccc([N+](=O)[O-])cc1/C=N/NC(=O)COc1cccc2ccccc12 22001484 RWEMEMKCUCSNIN-RWPZCVJISA-N 476.577 5.396 50 10 JKGE CCOC(=O)c1c(NC(=O)/C(C#N)=C\c2ccccc2OCc2ccccc2)sc2c1CCCC2 33346408 ODOFYPRQCBIROA-PGMHBOJBSA-N 486.593 5.928 50 10 JKGE CCCCOc1ccc(/C=C(/C#N)C(=O)Nc2ncc(Cc3ccc(C)cc3)s2)cc1OC 33392571 JKDUHTSREYYIGN-BKUYFWCQSA-N 461.587 5.776 50 10 JKGE Cc1ccc(CCN(C(=O)CCl)[C@H](C(=O)N[C@@H]2CCCC[C@H]2C)c2ccccc2Cl)cc1 33404642 FJOGJWYBWMGSJF-NIDLKEISSA-N 475.460 5.695 50 10 JKGE C/C(=N/NC(=O)c1ccc(COc2ccccc2-c2ccccc2)cc1)c1ccc2c(c1)OCO2 34888047 AAWSEPARIIOYRR-COEJQBHMSA-N 464.521 5.815 50 10 JKGE N#C/C(=C\c1cn(-c2ccccc2)nc1-c1cccc2ccccc12)c1nc2ccccc2s1 35519268 RNVOBHQUNZBEOH-HEHNFIMWSA-N 454.558 7.366 50 10 JKGE Cc1ccc(-c2csc(/C(C#N)=C\c3ccccc3OCC(=O)Nc3ccccc3)n2)cc1 35519787 IUWOZBOINBTPGU-JCMHNJIXSA-N 451.551 6.200 50 10 JKGE Cc1ccc2c(c1)/C(=N\NC(=O)CCCOc1ccc(Cl)cc1Cl)C(=O)N2CCC(C)C 38180262 VMKBXQJFKRUUFV-WEMUOSSPSA-N 476.404 5.374 50 10 JKGE CCOc1cc(/C=C2/C(=O)N(CC)C(=O)C(C#N)=C2C)ccc1OCc1ccc(Cl)cc1Cl 38603342 IWBJGKGZXYGHBV-VXLYETTFSA-N 485.367 5.583 50 10 JKGE CCCCOc1ccc(-c2nn(-c3ccccc3)cc2/C=C2/C(=O)N(CCC)C(=O)C(C#N)=C2C)cc1 38603408 PXGKHDDZDPXATI-NLRVBDNBSA-N 494.595 5.720 50 10 JKGE Cc1cc(C)cc(OCC(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@H]3c2ccc(C(C)(C)C)cc2)c1 38649825 NIAUROYQRUVKHS-NDEPHWFRSA-N 482.580 5.804 50 10 JKGE Cc1ccc(COc2cccc([C@@H]3C(C#N)=C(N)Oc4cc(OC(=O)c5ccccc5)ccc43)c2)cc1 38686600 VHMKRPCGGUNSBN-LJAQVGFWSA-N 488.543 6.011 50 10 JKGE N#C/C(=C\c1ccc(-c2cccc(Cl)c2Cl)o1)C(=O)Nc1ccc(OC(F)(F)F)cc1 39884765 AXIOINHXXZMAPY-ZRDIBKRKSA-N 467.230 6.698 50 10 JKGE Cc1c(Cl)cccc1NC(=O)c1oc2c(c1C)/C(=N/NC(=O)c1ccc(Cl)cc1)CCC2 40811633 QUXOSDRNYLMEMK-TURZUDJPSA-N 470.356 5.926 50 10 JKGE COc1ccc(C(=O)N/N=C2\CCCc3oc(C(=O)Oc4ccc(Cl)c(C)c4)c(C)c32)cc1 40813905 SLNLDINSHKGSQR-NHFJDJAPSA-N 466.921 5.248 50 10 JKGE CCOc1ccc(/C=N/NC(=O)COc2ccc(C(C)(C)CC(C)(C)C)cc2)cc1OCC 40911387 YJBLWILEJXQOQM-OGLMXYFKSA-N 454.611 5.727 50 10 JKGE COc1ccc(CCN2C(=O)C(C#N)=C(C)/C(=C\c3ccc(-c4cccc(Cl)c4)o3)C2=O)cc1 101340276 GPIZQTOXWCDLCP-HZHRSRAPSA-N 472.928 5.444 50 10 JKGE Cc1ccc2nc(N3CCOCC3)c(/C=C(/C#N)c3nc(-c4ccc(Cl)cc4)cs3)cc2c1 102977436 QYPRUAXKLCCCFU-STZFKDTASA-N 473.001 6.221 50 10 JKGE CCc1cccc(C)c1N/C(SCc1cccc(Cl)c1)=C(\C#N)S(=O)(=O)c1ccccc1 104689370 YVZDKAFHYIQBKP-BZZOAKBMSA-N 483.058 6.723 50 10 JKGE Cl[C@H](c1cccc(I)c1)c1cc(Br)ccc1Br 109803648 BEBMOBNBVMQPJG-CYBMUJFWSA-N 486.372 6.144 50 10 JKGE CCOc1ccccc1[C@@H](Br)c1cc(Br)sc1Br 109870203 ZAMJXJWEHFYOLV-GFCCVEGCSA-N 455.009 6.156 50 10 JKGE COc1c(C)cc(Br)c(C)c1[C@H](Br)c1ccc(Br)cc1F 125684690 HHGITWALJKRVET-OAHLLOKOSA-N 480.997 6.460 50 10 JKGE CCCOc1ccc([C@@H](Br)c2c(F)cccc2Br)cc1Br 161230406 MBWHGPRMPVKNPZ-MRXNPFEDSA-N 480.997 6.624 50 10 JKGE Brc1cc([C@H](Br)C2C3CC4CC(C3)CC2C4)c(Br)s1 168433801 ZVSUTGIKKCDEMY-HNVPQFPVSA-N 469.080 6.781 50 10 JKGE COc1ccc([C@@H](Br)c2cc(C)cc(Br)c2)c(OC)c1Br 224846883 WGXISKHRRWYKAA-AWEZNQCLSA-N 479.006 6.022 50 10 JKGE Clc1cc([C@H](Br)c2cccc3ccccc23)ccc1I 232344240 IASRYDBVFZCKKG-KRWDZBQOSA-N 457.536 6.582 50 10 JKGE O=[N+]([O-])c1ccccc1C[C@H](Br)c1ccc(I)c(Cl)c1 232386326 ARPOLWSCIOOHJJ-NSHDSACASA-N 466.500 5.532 50 10 JKGE CC1(C)Cc2cc([C@H](Br)c3cc(Br)sc3Br)ccc2O1 232831319 NVGLWCYXDJUCRK-ZDUSSCGKSA-N 481.047 6.471 50 10 JKGE CC(=NNC(=O)C1c2ccccc2Oc2ccccc21)c1ccc(NC(=O)c2cc(C)on2)cc1 252608172 HHSMJJMAEDVCQB-UHFFFAOYSA-N 466.497 5.013 50 10 JKGE C[C@@H](Oc1cccc2cccnc12)C(=O)NN=Cc1cn(-c2ccccc2)nc1-c1ccccc1 254344733 ZPXPQIBNZPURNG-HXUWFJFHSA-N 461.525 5.005 50 10 JKGE Cc1nn(-c2ccccc2)c(C)c1C=NNC(=O)[C@@]1(C)CC[C@H](c2nc3ccccc3[nH]2)C1(C)C 254555637 CBYGKVKPYJMJIG-SKCUWOTOSA-N 468.605 5.426 50 10 JKGE CCn1c(C)nc2cc(C(=O)NN=Cc3ccc(N(c4ccccc4)c4ccccc4)cc3)ccc21 254712431 DJTSFEIRAMFVIO-UHFFFAOYSA-N 473.580 6.598 50 10 JKGE CCN(C[C@](C)(CI)O[C@@H]1CC[C@@H](C)[C@H](C)C1)C(=O)OC(C)(C)C 303742175 WXYNQUGHLMGTOU-NNFUDEMPSA-N 453.405 5.278 50 10 JKGE Brc1cccc(C[C@@H](Br)c2sccc2I)c1 309294205 WVIHTKZERJRFIB-SNVBAGLBSA-N 471.983 5.794 50 10 JKGE O=C(N[C@H]1c2ccccc2C[C@@H]1Br)c1cc(Br)sc1Br 312185493 CSRULWODNUXVKZ-JQWIXIFHSA-N 480.019 5.064 50 10 JKGE Clc1ccc(Br)cc1[C@@H]1CN(Cc2ccccc2)C[C@H]1CI 382689247 LMGOMAMWSLSKCJ-RHSMWYFYSA-N 490.610 5.753 50 10 JKGE Fc1cc(Cl)ccc1[C@@H](Br)c1cc(I)cc2c1OCC2 383298653 YJKFDBWEGMLBRL-CQSZACIVSA-N 467.503 5.503 50 10 JKGE Fc1ccc([C@@H](Br)c2scc(C(F)(F)F)c2Br)cc1Br 394395911 BVMZSWQVGYHOFJ-SECBINFHSA-N 496.943 6.915 50 10 JKGE Fc1cc(Br)ccc1[C@@H](Br)c1cc(Cl)c(Cl)c(Cl)c1Cl 404645290 GEACJWRWZKITOJ-SNVBAGLBSA-N 481.801 7.686 50 10 JKGE Cc1cc(C)c([C@@H](Cl)c2scc(Br)c2Br)c(C)c1Br 705465261 LYXVCDLLBOLGDZ-CYBMUJFWSA-N 487.482 7.289 50 10 JKGE C[C@H](Cl)c1nc2cc(I)ccc2n1C1CC(OCc2ccccc2)C1 716298311 YLODLMFDYAEKCY-IGEOTXOUSA-N 466.750 5.861 50 10 JKGE Cc1ccc2nc(Sc3ccc(/C=C(\C#N)C(=O)Nc4cccc(Cl)c4Cl)o3)[nH]c2c1 1083916171 ANYRWNWUMGSUHG-JLHYYAGUSA-N 469.353 6.468 50 10 JKGE Cc1cccc(C(=O)Nc2ccc(C(=O)NN=Cc3ccc(OCc4ccccc4)cc3)cc2)c1 1084053249 KIOKTMGYOWFMOT-UHFFFAOYSA-N 463.537 5.590 50 10 JKGE N#C/C(=C/c1cccc(OCc2ccc(Cl)cc2)c1)C(=O)Nc1cc([N+](=O)[O-])ccc1Cl 1084091198 ZUWLVBALCBWMKT-YVLHZVERSA-N 468.296 6.026 50 10 JKGE CCOc1ccc(NC(=O)/C(C#N)=C\c2ccc(-c3ccc(Br)cc3C)o2)cc1 1084321697 VBDPKUUATCFZCX-SSZFMOIBSA-N 451.320 5.962 50 10 JKGE CCOc1ccc(NC(=O)/C(C#N)=C/c2ccc(OCc3ccc(Cl)c(Cl)c3)c(OC)c2)cc1 1084454794 VSMXMEOPVBIVDV-XDHOZWIPSA-N 497.378 6.525 50 10 JKGE CC(=NNC(=O)COc1ccc(C)cc1Br)C(c1ccccc1)c1ccccc1 1084607543 QTZFIDCHQRIHOP-UHFFFAOYSA-N 451.364 5.461 50 10 JKGE CCCCCCOc1ccc(C=NNC(=O)[C@@H](C)Oc2cc(C)c(Cl)c(C)c2)cc1OC 1772755872 HNARMTRHPTZXKZ-LJQANCHMSA-N 461.002 5.842 50 10 JKGE N#CC1=C(N)Oc2c(c(C(F)(F)F)nn2-c2ccc(Cl)cc2)[C@@H]1c1cccc2ccccc12 1865682565 RQQZHBKAMZYOOJ-LJQANCHMSA-N 466.850 5.916 50 10 JKGE COc1ccc(-n2nc(-c3ccccc3)c3c2OC(N)=C(C#N)[C@H]3c2ccc(Cl)cc2)cc1 1865683156 HEUVIDISAJEWEQ-JOCHJYFZSA-N 454.917 5.419 50 10 JKGE CCc1nn(Cc2ccccc2Cl)c2c1[C@H](c1ccc(Cl)c(Cl)c1)C(C#N)=C(N)O2 1865685443 IVVSJDKBDZQGMV-LJQANCHMSA-N 459.764 5.672 50 10 JKGE CCCCOc1ccc([C@H]2C(C#N)=C(N)Oc3c2c(C(F)(F)F)nn3-c2ccc(C)cc2)cc1 1865690400 QJBKTOCSUBWDIJ-FQEVSTJZSA-N 468.479 5.597 50 10 JKGE CCCCCOc1ccc([C@H]2C(C#N)=C(N)Oc3c2c(CC)nn3-c2ccc(C)cc2)cc1OC 1865695676 GHRVQPIEUXLBOJ-VWLOTQADSA-N 472.589 5.539 50 10 JKGE O=c1c(-c2ccc(Cl)c(Cl)c2)c(C2CCC2)oc2cc(OCc3cccc(CCl)c3)ccc12 1871436905 BHNCPSPKGRKTBS-UHFFFAOYSA-N 499.821 8.352 50 10 JKGE CSCC[C@H](/C(O)=C(\C#N)c1nc(-c2ccccc2Cl)cs1)N1C(=O)c2ccccc2C1=O 1872745918 JUPXCXNLGCOIAK-HTNUNKGTSA-N 496.013 5.674 50 10 JKGE COc1c(Cl)cc(-c2csc(/C(C#N)=C(\O)Cc3ccc(NC(C)=O)cc3)n2)cc1Cl 1872756332 XRMOQTUNCGUERA-SILNSSARSA-N 474.369 6.119 50 10 JKGE COc1cc(/C=C(\C#N)c2nc(-c3cc(Cl)cc(C)c3OC)cs2)ccc1OC(C)C 1872794092 JTLYCSSGSIWZRM-RQZCQDPDSA-N 454.979 6.641 50 10 JKGE N#C/C(=C\c1cccc(OCc2ccccc2)c1)c1nc(-c2cc(Cl)ccc2Cl)cs1 1872795016 IOOLCBPXAQENSJ-YBFXNURJSA-N 463.389 7.760 50 10 JKGE Clc1cc([C@H](Br)c2sc(Cl)cc2I)c(Cl)s1 1900920532 VVLUAUPXPOVOSY-ZETCQYMHSA-N 488.424 6.859 50 10 JKGE CCCc1ccccc1[C@H](Br)c1sc(Br)c(C)c1Br 1922920028 BSOGXTLTBMYTMB-ZDUSSCGKSA-N 467.064 7.018 50 10 JKGE Fc1cc([C@H](Cl)c2sc(Br)cc2Br)ccc1Br 1922944484 ZBIWLFZXAYTBRQ-JTQLQIEISA-N 463.391 6.503 50 10 JKGE CC(C)C(C(C)C)[C@@H](Cl)c1c(Br)sc(Br)c1Br 1924583453 KGVXZVQFXYSEGI-SNVBAGLBSA-N 467.492 7.244 50 10 JKGE CC(C)([C@@H](Cl)c1c(Br)sc(Br)c1Br)C(F)(F)F 1924609359 WKENIRJUZMSMIN-YFKPBYRVSA-N 479.381 6.904 50 10 JKGE Brc1sc(Br)c([C@H](Br)[C@@H]2C[C@@H]3C[C@@H]3C2)c1Br 1924612686 NLXGUWONWRMNAU-FZGKIIIMSA-N 493.884 6.518 50 10 JKGE FC1(F)[C@H]([C@H](Cl)c2c(Br)sc(Br)c2Br)C12CCC2 1924615807 GOMYZEAOHGHZEV-RNFRBKRXSA-N 485.413 6.751 50 10 JKGE C[C@H]1CCN(Cc2ccccc2)CCN1c1ccc(CBr)cc1Br 1947748539 BTXAGVTXDRSDMQ-INIZCTEOSA-N 452.234 5.445 50 10 JKGE FC(F)(F)[C@]1(CBr)C[C@H]1c1ccc(OCc2ccccc2)c(OCc2ccccc2)c1 2024237579 HPSAZKDWTBGSMM-URXFXBBRSA-N 491.347 7.276 50 10 JKGE CCc1cc(Br)c([C@@H](Br)c2ccc(Br)c(C)c2)s1 2029234342 DSMBNOFDMSFENS-ZDUSSCGKSA-N 453.037 6.628 50 10 JKGE Cc1cc([C@@H](Br)c2csc(Br)c2Br)cc(C)c1F 2032958778 MDIOSKNWMOFSMU-SNVBAGLBSA-N 457.000 6.513 50 10 JKGE COc1sc([C@@H](Cl)c2cc(Br)cc(Br)c2)cc1Br 2034630025 SEANRTJAXQILKA-NSHDSACASA-N 475.427 6.372 50 10 JKGE COc1ccc(-c2nn(-c3ccccc3)cc2C=C(C#N)C(=O)c2c(C)[nH]c3ccccc23)cc1 2040447880 YOEVOMWQALRXTN-UHFFFAOYSA-N 458.521 6.128 50 10 JKGE CC[C@@H](Br)CN(C(=O)c1csc(Br)c1Br)C1CC1 2045277344 IDHFAKUZTQPVTH-SSDOTTSWSA-N 460.029 5.051 50 10 JKGE COc1c(C)cc(Br)cc1[C@@H](Br)c1ccsc1Br 2085628223 OEOLATBVPVTZNF-NSHDSACASA-N 455.009 6.074 50 10 JKGE Cc1cc(Br)c([C@H](Br)[C@@H]2C[C@H]3O[C@H]2[C@@H]2C[C@H]32)cc1Br 2087775315 ARJCADOVIKTHOO-HPUIEQSDSA-N 450.996 5.379 50 10 JKGE C[C@H]1OCC[C@H]1CC(CBr)(CBr)c1ccc(Br)cc1 2121123741 ORGIIGOFOCTYRG-NEPJUHHUSA-N 455.028 5.292 50 10 JKGE Cc1cc(Br)c(C)c([C@H](Br)C[C@H]2CC[C@@H](C)O2)c1Br 2136371481 OMRGCIQEPBMBOC-IRUJWGPZSA-N 455.028 6.222 50 10 JKGE Cc1cc(Br)c(C)c([C@H](Br)c2ccc(Cl)cc2)c1Br 2136379453 KRTINFHVROBUNE-OAHLLOKOSA-N 467.426 6.966 50 10 JKGE Cc1cc(Br)c([C@H](Br)[C@H]2[C@H]3CC[C@@H](C3)C2(C)C)cc1Br 2146283495 BMSFPFUGDQVZSZ-QMMBQJITSA-N 465.067 7.028 50 10 JKGE O=C(c1scc(Br)c1Br)N1CCC2(CCC2)[C@H](CBr)C1 2151654370 KSYBUMHREZBGES-SECBINFHSA-N 486.067 5.300 50 10 JKGE C[C@H]1[C@H](n2c(CCCl)nc3cc(Br)c(Cl)cc32)CCN1Cc1ccccc1 2159873403 GTUXPNXLTLQBFM-IFXJQAMLSA-N 467.238 6.069 50 10 JKGE C[C@H](c1cccs1)N(Cc1ccccc1)S(=O)(=O)Cc1ccc(CBr)cc1 2179791253 ORIQDTRMBKPZFO-QGZVFWFLSA-N 464.450 5.736 50 10 JKGE Cc1cc(Br)c([C@@H](Br)C(F)(F)C2CCOCC2)cc1Br 2185352358 ORKVPWDPXQOYPU-CYBMUJFWSA-N 476.981 6.018 50 10 JKGE Cc1nn(C)c(Br)c1[C@@H](Br)c1c(Br)cc(F)c(F)c1F 2185754509 PJXSFZOIIZWJEE-SECBINFHSA-N 476.916 5.155 50 10 JKGE CC(C)(C)NCc1cc(Br)cc(Br)c1OC[C@@H]1C[C@@H]1Br 2196908715 ZISOUDXZZAZKBH-JQWIXIFHSA-N 470.043 5.262 50 10 JKGE Cc1cc(Br)c(C)c([C@@H](Br)c2cc3cscc3s2)c1Br 2201062271 MLFWFCUBQADVHZ-HNNXBMFYSA-N 495.099 7.589 50 10 JKGE COc1cc(F)c([C@@H](Br)c2cccc(Br)c2C)cc1Br 2202904632 UXUKBMVSRKSFTP-HNNXBMFYSA-N 466.970 6.152 50 10 JKGE COc1c(Br)cc(C)cc1[C@@H](Br)c1ccc(Br)cc1C 2203825916 RVMBMLXCIBPFOG-HNNXBMFYSA-N 463.007 6.321 50 10 JKGE Brc1cccc([C@H](Br)c2ccc(-c3cccs3)s2)c1Br 2205874290 ZARQAOVDVMBXMD-HNNXBMFYSA-N 493.083 7.486 50 10 JKGE Clc1cc(Br)c([C@H](Br)[C@H]2C[C@H](Br)C2)c(Cl)c1Cl 2212845293 ZJUOAFRLJWSDAK-UDJQAZALSA-N 486.256 7.019 50 10 JKGE Cc1ccc([C@@H](Br)Cc2ccncc2Br)cc1I 2217858651 BTZSFMMUPMRZAN-LBPRGKRZSA-N 480.969 5.436 50 10 JKGE CC[C@@H]([C@@H](Br)c1cc(Br)c(Br)cc1F)C(C)(F)F 2218596805 HUPNTSTZQWRSAO-CPCISQLKSA-N 452.934 6.468 50 10 JKGE Cc1ccc(F)cc1[C@H](Br)c1cc(Br)c(Br)cc1F 2225614931 AVJMHQIPDRYCQF-AWEZNQCLSA-N 454.934 6.283 50 10 JKGE Cc1ccc(Cl)c([C@H](Br)c2cc(Br)c(Br)cc2F)c1 2225616546 PMVYHMVKYLNKLG-AWEZNQCLSA-N 471.389 6.797 50 10 JKGE C[C@@H]1CCC[C@H]([C@H](Br)c2c(Br)cc(Cl)c(Cl)c2Cl)O1 2226836570 ZJJLCYOZQCFOAV-CGYDSVCVSA-N 451.413 6.803 50 10 JKGE CCOc1ccc([C@H](Br)c2sc(C)cc2Br)cc1Br 2229325850 NZBGYYSDGVTETK-ZDUSSCGKSA-N 469.036 6.465 50 10 JKGE C[C@H]1CCN(Cc2ccccc2)C[C@@H]1n1c(CCl)nc2c(F)cc(Br)cc21 2232916640 SQHWVUCCEXRUNU-LIRRHRJNSA-N 450.783 5.760 50 10 JKGE COc1c(C(C)C)cc(Br)cc1[C@H](Cl)c1csc(I)c1 2233170017 YVQJIFDJGWQIRK-CQSZACIVSA-N 485.612 6.575 50 10 JKGE COc1cc([C@H](Br)c2scc(Br)c2Br)c(OC)cc1C 2236790433 QMMOKLSQIYBIGT-LBPRGKRZSA-N 485.035 6.083 50 10 JKGE Cc1nscc1[C@@H](Br)c1c(F)cc(Br)c(F)c1Br 2260006785 WSJRHOAGEUBPKZ-SECBINFHSA-N 461.951 5.739 50 10 JKGE Cl[C@@H](c1cccc(I)c1)c1cc2sc(Br)cc2s1 2263617409 FXSUVFNOSFOIDY-ZDUSSCGKSA-N 469.594 6.658 50 10 JKGE COc1cc(OC)c([C@@H](Br)c2ncsc2Br)cc1Br 2278034599 DYSNIYPJHIXSJD-SNVBAGLBSA-N 471.996 5.170 50 10 JKGE Cc1ccc(I)c([C@@H](Cl)c2cc3sc(Br)cc3s2)c1 2278098905 IBTYLAVQFQHEJC-CQSZACIVSA-N 483.621 6.967 50 10 JKGE C=CC[C@@]1(CBr)CCCN1C(=O)c1c(Br)cccc1Br 2287744925 KMLHPJTWJQNSRA-HNNXBMFYSA-N 466.011 5.157 50 10 JKGE Cc1cc(F)cc(C)c1[C@@H](Br)Cc1cc(Br)cc(Br)c1 2295275250 SPOQBHZQSGDWAE-HNNXBMFYSA-N 464.998 6.646 50 10 JKGE COCc1cccc([C@H](Br)Cc2cc(Br)cc(Br)c2)c1 2295328944 BCXUXHSIXFMJKZ-MRXNPFEDSA-N 463.007 6.037 50 10 JKGE CCn1c2ccccc2c2cc(NC=C(C#N)c3nc(-c4ccc([N+](=O)[O-])cc4)cs3)ccc21 2295948605 VCDBWYYHRFYHIC-UHFFFAOYSA-N 465.538 6.823 50 10 JKGE CCOC(=O)c1c(NC=C(C#N)c2nc(-c3ccc(C)cc3C)cs2)sc(C(C)=O)c1C 2296790095 OOYJBMBJJCWJMZ-UHFFFAOYSA-N 465.600 6.153 50 10 JKGE CC1CC(CC[C@@H](Br)c2cc(Br)ccc2OCc2ccccc2)C1 2299496476 UJYQJVMPXFDPHX-MKJPBZQASA-N 452.230 7.290 50 10 JKGE Fc1cc(Br)c(Br)cc1[C@H](Cl)c1cnsc1Br 2300281211 AHZBRVQMOCKAHM-VIFPVBQESA-N 464.379 5.898 50 10 JKGE Cc1cccc(COc2ccc(Br)cc2C=C(C#N)C(=O)Nc2ccc(Cl)cc2)c1 2313631549 RVUXEADTWPBYRI-UHFFFAOYSA-N 481.777 6.536 50 10 JKGE Fc1ccccc1C[C@H](Br)c1ccc(OCc2ccccc2)cc1Br 2314448195 FWTAPICIYYZJHA-IBGZPJMESA-N 464.172 6.846 50 10 JKGE COc1ccc(-c2nn(-c3ccccc3)cc2C=C2C(=O)N(CC(C)C)C(=O)C(C#N)=C2C)c(C)c1 2314610133 CXUMLTOUVXZWDZ-UHFFFAOYSA-N 480.568 5.105 50 10 JKGE COc1cc(C=C2C(=O)N(CCc3ccccc3)C(=O)C(C#N)=C2C)ccc1OCc1ccccc1 2314616525 CROIEBLWBPODSG-UHFFFAOYSA-N 478.548 5.109 50 10 JKGE Cc1coc([C@@H](Br)c2c(Cl)cc(Br)c(F)c2Br)c1 2315440344 RMANMOPCMAPRKL-SNVBAGLBSA-N 461.350 6.390 50 10 JKGE Fc1c(Br)cc(Cl)c([C@@H](Br)c2ccc(Cl)o2)c1Br 2315445329 KWBWKAUZCQORAX-VIFPVBQESA-N 481.768 6.735 50 10 JKGE COc1cc(C)c(Br)cc1[C@@H](Br)c1cnsc1Br 2315622205 VDHJIVPSTHBACQ-LLVKDONJSA-N 455.997 5.469 50 10 JKGE Brc1cc(I)cc(O[C@H]2C[C@H](Br)C23CCCC3)c1 2316757908 NWPPEVGOKHMZAT-STQMWFEESA-N 485.985 5.529 50 10 JKGE N#CC(C(=O)Cn1cnc2scc(-c3ccc(Cl)cc3)c2c1=O)=C1Nc2ccccc2S1 2320729532 CMACAEKSLOEMRQ-UHFFFAOYSA-N 476.970 5.300 50 10 JKGE Nc1ccccc1C(=O)NN=Cc1ccc(-n2nc(-c3ccccc3)cc2-c2ccccc2)cc1 2323203622 MOCNTQMEJVOWIN-UHFFFAOYSA-N 457.537 5.552 50 10 JKGE CC(C)C[C@H](NC(=O)OC(C)(C)C)C(=O)NN=Cc1ccc(OCc2ccccc2Cl)cc1 2328796606 JCNNMJQOQFCGQF-QFIPXVFZSA-N 474.001 5.309 50 10 JKGE COc1cc(C=CC(O)=C(C#N)c2nc(-c3ccc4ccccc4c3)cs2)cc(OC)c1OC 2331237790 FHUMFQSQPBVVJY-UHFFFAOYSA-N 470.550 6.495 50 10 JKGE Cc1ccc(C)c(-c2csc(C(C#N)=C(O)CCCOc3ccc(Cl)cc3Cl)n2)c1 2331320276 RWEVNWSZMDWCIB-UHFFFAOYSA-N 459.398 7.386 50 10 JKGE CC(C)(C)c1ccc(-c2csc(C(C#N)=C(O)c3cccc(Oc4ccccc4)c3)n2)cc1 2331332736 FQDRMLLGSCOIMJ-UHFFFAOYSA-N 452.579 7.850 50 10 JKGE COc1ccc(C(C)(C)C)cc1-c1csc(C(C#N)=C(O)Cc2ccc(Br)cc2)n1 2331349158 WUVNBYWIUNVRKJ-UHFFFAOYSA-N 483.431 6.914 50 10 JKGE COc1ccc(Cl)cc1C(O)=C(C#N)c1nc(-c2ccc(Oc3ccccc3)cc2)cs1 2331358670 AMYVYFZKQCDAFL-UHFFFAOYSA-N 460.942 7.214 50 10 JKGE CC[C@@H](C)N1C(=O)c2ccc(C(O)=C(C#N)c3nc(-c4ccc(C)c(C)c4)cs3)cc2C1=O 2331382580 JEQIZJOWJBELBH-MRXNPFEDSA-N 457.555 5.771 50 10 JKGE COc1ccc(-c2csc(C(C#N)=C(O)COc3ccc(Cl)cc3Cl)n2)cc1Cl 2331398481 ZVCBQLNGPHGQEY-UHFFFAOYSA-N 467.761 6.651 50 10 JKGE CCCCCOc1ccc(C=C(C#N)c2nc(-c3cccc([N+](=O)[O-])c3)cs2)cc1OCC 2331414408 DISZTFGZOMXVKM-UHFFFAOYSA-N 463.559 6.750 50 10 JKGE CCN(Cc1ccccc1)c1ccc(C=C(C#N)c2nc(-c3cc(C(C)(C)C)ccc3C)cs2)cc1 2331479154 ZIIQEKTZKRBFRM-UHFFFAOYSA-N 491.704 8.507 50 10 JKGE COc1c(Cl)cc(-c2csc(C(C#N)=Cc3ccc(OCc4ccccc4)cc3)n2)cc1Cl 2331480425 PZGVMFKRVZFCQT-UHFFFAOYSA-N 493.415 7.769 50 10 JKGE Fc1cc(Br)c(F)c(Br)c1[C@@H](Br)C[C@@H]1C[C@H]1C1CC1 2334720024 NDSZALXGIJBVCX-CIUDSAMLSA-N 458.966 6.362 50 10 JKGE Cn1ncc(Cl)c1[C@@H](Br)c1c(F)cc(Cl)c(Br)c1Cl 2335374772 VBZGSOGQVBIOSL-VIFPVBQESA-N 451.348 5.766 50 10 JKGE FC(F)(F)[C@@H]1CCO[C@@H]1[C@H](Br)c1ccc(OCc2ccccc2)cc1Br 2336083103 HLEJFXFNVSBQCO-NXHRZFHOSA-N 494.145 6.432 50 10 JKGE Fc1c(Br)cc(Cl)c([C@H](Br)[C@]23CCOC[C@@H]2C3)c1Br 2337086501 MXVONMUCTLTGEW-MYWNEDRFSA-N 477.393 5.867 50 10 JKGE Fc1c(Br)cc(Cl)c([C@H](Cl)c2ccc(Br)cc2)c1Br 2337098585 RJUNOGZWDOMRBL-GFCCVEGCSA-N 491.807 7.095 50 10 JKGE C[C@]12C[C@H](C1)[C@H]([C@@H](Br)Cc1cc(Br)cc(Br)c1)CO2 2337698158 RIYHALYCTBHJGR-RABLLNBGSA-N 453.012 5.333 50 10 JKGE CCC[C@@H]1C[C@@H]1[C@@H](Br)c1c(C)cc(Br)c(OC)c1Br 2339679740 OLXFGSDFIGKFTP-GBIKHYSHSA-N 455.028 6.401 50 10 JKGE Cc1cc(Br)c(F)c(Br)c1[C@H](Cl)c1ccc(Br)cc1 2339681794 LYJOVODJYTVRPN-CYBMUJFWSA-N 471.389 6.750 50 10 JKGE C[C@H]1CCCN(Cc2ccc(I)c(Br)c2)[C@@H]1CCCl 2349830633 RBOHROXFEVXERY-XHDPSFHLSA-N 456.593 5.283 50 10 JKGE C[C@@]1(C(F)(F)F)C[C@@]1(CBr)Cc1cc(I)ccc1Cl 2352416831 AEPCYPKHIMGBBQ-VXGBXAGGSA-N 467.494 5.841 50 10 JKGE Clc1ccc(I)cc1CN1CCCC[C@H]1CCCBr 2352432325 RKYBGIXBULMYHE-AWEZNQCLSA-N 456.593 5.474 50 10 JKGE CC1(C)CCC[C@H]([C@@H](Br)c2c(Cl)cc(Br)c(F)c2Br)C1 2362234779 ISYFAFQAOMXEFO-QPUJVOFHSA-N 491.464 7.657 50 10 JKGE Fc1c(Br)cc(Cl)c([C@@H](Br)CC[C@@H]2CCCCO2)c1Br 2362253785 JZTGUHUNBAINOZ-IUCAKERBSA-N 493.436 6.789 50 10 JKGE C=CC[C@@]1(CBr)CCCN(Cc2ccc(Cl)c(I)c2)C1 2362368918 SLOAOONFOIAYRZ-INIZCTEOSA-N 468.604 5.498 50 10 JKGE Cc1ccc([C@H](Br)c2sc(Cl)cc2I)cc1C(F)(F)F 2363894215 QEOMKQKRLVYMAZ-NSHDSACASA-N 495.529 6.818 50 10 JKGE Cc1cc(Br)c(F)c(Br)c1[C@@H](Br)c1c(C)oc(C)c1C 2365215791 NLTRKSNJIHSAJJ-CYBMUJFWSA-N 468.986 6.662 50 10 JKGE Cc1cc(Br)c(F)c(Br)c1[C@@H](Br)[C@@H]1CC[C@H]2C[C@H]2CC1 2365218329 BPLSAGWQIBJNIV-MIJXAVMKSA-N 469.030 6.921 50 10 JKGE COc1cc(C)c(Br)cc1[C@@H](Cl)c1ccc(Cl)cc1I 2365597449 GZVQNPMHOQNKSZ-HNNXBMFYSA-N 485.974 6.352 50 10 JKGE Clc1ccc(CN2CC3(CCCC3)C[C@@H]2CBr)c(I)c1 2366727591 UYPWIULMLWEYFJ-CQSZACIVSA-N 468.604 5.474 50 10 JKGE COc1c(F)cc([C@@H](Br)c2ccc(I)c(Cl)c2)cc1F 2370436877 JZUBGIGIMLYBAT-ZDUSSCGKSA-N 473.482 5.716 50 10 JKGE FC1(F)C[C@](CBr)(Cc2cc(I)ccc2Cl)C12CCC2 2380448192 OFUXXIARWCAYBD-ZDUSSCGKSA-N 475.542 6.078 50 10 JKGE CC(C)(C)c1ccc(C(=O)Nc2ccc(C(=O)N/N=C/c3cc([N+](=O)[O-])ccc3Cl)cc2)cc1 12491802 DNBVTDGNMCEATH-JFLMPSFJSA-N 478.936 5.562 50 10 JKGE CC(C)COc1ccc(C(=O)NNC(=O)C(c2ccccc2)c2ccccc2)cc1Br 14652945 PVEWCTGWUNBLFS-UHFFFAOYSA-N 481.390 5.077 50 10 JKGE CCOc1ccc(/C=C(/C#N)C(=O)Nc2nc(-c3ccc(Br)cc3)cs2)cc1OC 33377985 OOIWXMOGHBUAEP-YBEGLDIGSA-N 484.375 5.526 50 10 JKGE Cc1ccc(NC(=O)/C(C#N)=C2/S[C@H](Cc3ccc(F)cc3)C(=O)N2c2ccc(Cl)cc2)cc1 33383672 YNYZFRDDVUFFGX-QPQMVVSWSA-N 491.975 5.853 50 10 JKGE CC(C)(C)c1ccc([C@@H]2C[C@@H]2C(=O)N/N=C/c2ccc(-c3ccc(Cl)c(Cl)c3)o2)cc1 33745556 JMTPSXFSBCCNEQ-GJWLPXDJSA-N 455.385 6.805 50 10 JKGE CSc1ccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)[C@H](C)Oc4ccc(F)cc4)ccc32)cc1 38682441 BADFMPCTMPTMTA-OWJWWREXSA-N 476.529 5.139 50 10 JKGE CCCOc1ccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4ccccc4F)ccc32)cc1OCC 38683935 QNRBDVLSPZIHBN-SANMLTNESA-N 488.515 5.451 50 10 JKGE CCCOc1cccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)Cc4ccc(Cl)cc4)ccc32)c1 38684501 UXPQYBYWECLIIF-AREMUKBSSA-N 474.944 5.495 50 10 JKGE CCCCOc1ccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4oc5ccccc5c4C)ccc32)cc1 38687552 XTVXSPWJVXDIGG-MHZLTWQESA-N 494.547 6.358 50 10 JKGE Cc1ccc2c(C)c(C(=O)Oc3ccc4c(c3)OC(N)=C(C#N)[C@@H]4c3ccccc3F)oc2c1C 38687997 YTKHHNAHENMZQX-XMMPIXPASA-N 468.484 5.935 50 10 JKGE CCc1ccc2oc(C(=O)Oc3ccc4c(c3)OC(N)=C(C#N)[C@H]4c3ccc(SC)cc3)c(C)c2c1 38700717 IXPSHHMKTMNDDY-SANMLTNESA-N 496.588 6.463 50 10 JKGE Cc1cc(C)cc(Oc2nc3c(C)cccn3c(=O)c2/C=C(/C#N)C(=O)Nc2ccccc2C)c1 39858778 FGTGPPCJYUYTNS-QNGOZBTKSA-N 464.525 5.266 50 10 JKGE O=C(NNc1ncnc(Nc2ccccc2C(F)(F)F)c1[N+](=O)[O-])c1cccc2ccccc12 40588841 XZTJQERIWPNQLH-UHFFFAOYSA-N 468.395 5.057 50 10 JKGE Cc1c(C(=O)N2c3ccc(F)cc3CC[C@@H]2C)oc2c1/C(=N/NC(=O)c1ccc(F)cc1)CCC2 40811880 OTJPQVDZXJXSER-ZEGMAUPVSA-N 477.511 5.318 50 10 JKGE COc1cc(/C=N/NC(=O)COc2ccc(C)c(C)c2)ccc1OCc1ccccc1Cl 40846842 LEJAGBRPRYKGHX-MZJWZYIUSA-N 452.938 5.074 50 10 JKGE CCOc1cc(/C=C(\C#N)C(=O)NCc2ccco2)ccc1OC(=O)/C=C/c1ccccc1Cl 40926722 ROKWWWPXIZUBKL-JNYZPFSCSA-N 476.916 5.174 50 10 JKGE CC(C)(C)c1ccc(/C=N/NC(=O)CSc2c(Cl)c(Cl)c(Cl)c(Cl)c2Cl)cc1 59158680 YWFVCDPNVNVOPC-ZNLRHDTNSA-N 498.690 7.494 50 10 JKGE CC(C)Cc1ccc([C@@H](C)C(=O)NNC(=O)COc2ccc(C(C)(C)C)cc2Br)cc1 66199341 FYGLOJPKRPKHPG-QGZVFWFLSA-N 489.454 5.275 50 10 JKGE Clc1cc(I)c(OCC2(CBr)CCC2)c2ncccc12 96870697 JLMPNUFUDVPMOM-UHFFFAOYSA-N 466.544 5.437 50 10 JKGE C=CCNC(=O)/C(C#N)=C1\S[C@H](Cc2cc(Cl)cc(Cl)c2)C(=O)N1c1ccc(C)c(C)c1 101241972 ZBEWFJHILZJEBK-SSXUBFHHSA-N 486.424 5.339 50 10 JKGE CCCCCCCCCCOc1ccc(C(=O)N/N=C/c2c(C)nn(-c3ccccc3)c2C)cc1 103738147 RYZOMRZZESPLLK-JBASAIQMSA-N 474.649 6.773 50 10 JKGE COc1c(Br)cc(Cl)cc1[C@H](Br)c1ccc(Br)cc1C 109836099 MPCDUTDSZVACEU-CQSZACIVSA-N 483.425 6.666 50 10 JKGE Fc1ccc(Br)cc1[C@H](Br)c1cc2c(cc1Br)OCCO2 109865746 BMOQFMVOOMVLJI-OAHLLOKOSA-N 480.953 5.606 50 10 JKGE COc1cccc(F)c1[C@@H](Br)c1cc(Br)sc1Br 115071204 PADQFGXPKCXSDB-NSHDSACASA-N 458.972 5.905 50 10 JKGE Br[C@@H](c1ccc(Cc2ccccc2)cc1)c1csc(I)c1 124444532 MANQGVGDMZAOCO-SFHVURJKSA-N 469.185 6.428 50 10 JKGE FC(F)(F)c1cc([C@@H](Br)c2ccc(Br)s2)ccc1Br 124617547 YYQSXILTTYTOEI-LLVKDONJSA-N 478.953 6.776 50 10 JKGE Clc1ccccc1[C@H](CI)OCc1ccc(Br)cc1 162536290 DFQJMBQNYOLTNN-HNNXBMFYSA-N 451.529 5.795 50 10 JKGE Clc1cc2c(cc1[C@@H](Br)c1cccc(Br)c1Cl)OCCO2 228452637 XXFJHGQQWGCYRR-AWEZNQCLSA-N 452.957 6.011 50 10 JKGE Brc1ccc(I)cc1[C@H](Br)c1cccs1 232483820 ZAWRPWGOUIKFNT-NSHDSACASA-N 457.956 5.600 50 10 JKGE COc1ccc([C@H](Cl)c2cc(Br)ccc2I)cc1Cl 234991302 PTLYQKWTSJUCEC-AWEZNQCLSA-N 471.947 6.044 50 10 JKGE Clc1cc(Br)cc([C@@H](Cl)c2cc(Br)c(Br)s2)c1 236038845 FFMBNGCUQXUPBW-SNVBAGLBSA-N 479.846 7.017 50 10 JKGE CCn1c(SCC(=O)NN=Cc2cccc(Oc3ccccc3)c2)nnc1-c1ccc(C)cc1 254399642 WIHAFYASLSNVFP-UHFFFAOYSA-N 471.586 5.308 50 10 JKGE COc1ccc(COC(=O)NN=C(C)CC(=O)Nc2cc3oc4ccccc4c3cc2OC)cc1 254428401 JKWSDYADLMVWRU-UHFFFAOYSA-N 475.501 5.234 50 10 JKGE CCCCCCCCCCCCCCCCCC(=O)NN=Cc1cc2ccccc2nc1O 254514376 VPVTZAZMCGBSQT-UHFFFAOYSA-N 453.671 7.652 50 10 JKGE Cc1ccc(-n2c(SCC(=O)NN=Cc3ccc(C)o3)nnc2-c2ccc(C(C)(C)C)cc2)cc1 254524771 VBGWDYCXXWFEHS-UHFFFAOYSA-N 487.629 5.684 50 10 JKGE Cc1ccc(C(=O)Oc2ccc3ccccc3c2C=NNC(=O)c2cccc([N+](=O)[O-])c2)cc1 254757792 FCGJOEYMSUDPAE-UHFFFAOYSA-N 453.454 5.040 50 10 JKGE BrCC(CBr)(CCOCc1ccccc1)c1ccccc1Br 309848704 ZHBYACGWNYMMJL-UHFFFAOYSA-N 491.061 6.084 50 10 JKGE CC(C)(C)OC(=O)N1CCC(CI)(O[C@@H]2C[C@H]3CC[C@@]2(C)C3(C)C)CC1 382065877 QBCPEACTPUCZCR-JXXFODFXSA-N 477.427 5.423 50 10 JKGE O=C(OCc1ccccc1)N1C[C@@H](CBr)[C@H](c2cccc(Br)c2)C1 382682927 FJIDJLLSVOCUQF-AEFFLSMTSA-N 453.174 5.196 50 10 JKGE C[C@@H](Cn1c([C@@H](C)Cl)nc2cc(I)ccc21)N(C)Cc1ccccc1 390459845 BQLLWPZJAWZNHF-LSDHHAIUSA-N 467.782 5.461 50 10 JKGE CC1(C)C[C@@H](Br)CCN(C(=O)c2cc(Br)c(Br)s2)C1 395381436 ROAUXCXXKUVLON-QMMMGPOBSA-N 474.056 5.299 50 10 JKGE Cc1ccc(Br)cc1[C@H](Br)c1cc(Cl)c(Cl)c(Cl)c1Cl 404657642 OPJFRTMLOPSNIN-NSHDSACASA-N 477.838 7.855 50 10 JKGE Clc1ccc([C@@H](Br)c2cc(Cl)c(Cl)c(Cl)c2Cl)cc1Cl 404673124 ZPTCFWAKVYZNPW-SNVBAGLBSA-N 453.805 8.091 50 10 JKGE CN(C(=O)OC(C)(C)C)c1ccc([C@H]2CN(CCO[Si](C)(C)C(C)(C)C)CCO2)cc1 616644879 KWRCKVWSZBPCPZ-OAQYLSRUSA-N 450.696 5.453 50 10 JKGE CC1(C)C[C@H](Br)C[C@H](NC(=O)c2scc(Br)c2Br)C1 705448383 QEFDHLLRMAINMC-SFYZADRCSA-N 474.056 5.345 50 10 JKGE C[C@H](Br)C[C@@H]1CCCCCN1C(=O)c1scc(Br)c1Br 707806012 GMZDKLYPRZLRPL-UWVGGRQHSA-N 488.083 5.831 50 10 JKGE Cc1ccc(NC(=O)[C@H](c2cccs2)N(C(=O)CCl)c2cccc(C(F)(F)F)c2)cc1 725238412 SHQGXHAQUNXJBR-FQEVSTJZSA-N 466.912 6.027 50 10 JKGE Cc1ccccc1-n1c(C)c(Br)c(C=NNC(=O)[C@H](C)Sc2ccccc2)c1C 725401755 VHYSFQRAKWWTAI-SFHVURJKSA-N 470.436 5.796 50 10 JKGE O=C(NN=C(CSc1nc2ccccc2[nH]1)c1ccc(Br)cc1)c1ccccc1 1083888342 JFFAKSGONLBWIV-UHFFFAOYSA-N 465.376 5.252 50 10 JKGE Cc1c(C=NNC(=O)CC[C@H](O)c2ccccc2)c2ccccc2n1Cc1ccc(Cl)cc1Cl 1083922043 PPSQJGWIMXBERP-SANMLTNESA-N 494.422 6.269 50 10 JKGE O=C(NN=Cc1cn(-c2ccccc2)nc1-c1ccc(F)cc1)c1ccccc1OCc1ccccc1 1083946082 OHDNAOLUHOACRX-UHFFFAOYSA-N 490.538 6.021 50 10 JKGE CCOc1cc(/C=C(\C#N)C(=O)Nc2cccc(Cl)c2Cl)cc(Br)c1OCC#N 1084010356 HRERRHWRKYFSNR-MDWZMJQESA-N 495.160 5.603 50 10 JKGE Cc1cc(C=NNC(=O)CSCc2cccc(Br)c2)c(C)n1-c1ccc(F)cc1 1084058446 OPGFGLUHJYSSDN-UHFFFAOYSA-N 474.399 5.379 50 10 JKGE O=C(CSc1c(Cl)c(Cl)c(Cl)c(Cl)c1Cl)NN=Cc1c(F)cccc1Cl 1084375894 KZCADUBENHFXGE-UHFFFAOYSA-N 495.017 6.989 50 10 JKGE CC(=NNC(=O)CSc1ccccc1)c1ccc2c(c1)[C@@H]1C=CC[C@@H]1[C@H](c1ccccc1)N2 1084581062 PEFLYMJYJIXXCV-NYULUDCUSA-N 453.611 6.146 50 10 JKGE Cc1c(C(=O)Nc2ccc(Cl)cc2Cl)oc2c1C(=NNC(=O)c1cccc(Cl)c1)CCC2 1772746630 YPNIBNPBIISNIL-UHFFFAOYSA-N 490.774 6.271 50 10 JKGE COc1cc(C=NNC(=O)CSc2nc(-c3ccc(Cl)cc3)cs2)ccc1OC(C)C 1772755195 UDESKUNBIZUBOQ-UHFFFAOYSA-N 476.023 5.502 50 10 JKGE N#CC1=C(N)Oc2c(c(-c3ccccc3)nn2Cc2ccc(F)cc2)[C@H]1c1ccc(Cl)c(Cl)c1 1865686572 XVGVWGVBQVZWJB-QFIPXVFZSA-N 491.353 6.262 50 10 JKGE CCOc1c(OC)cccc1[C@H]1C(C#N)=C(N)Oc2c1c(-c1ccccc1)nn2-c1ccc(C)cc1 1865692678 HKQGKSIPPFRDLC-DEOSSOPVSA-N 478.552 5.473 50 10 JKGE COc1cccc([C@@H]2C(C#N)=C(N)Oc3c2c(-c2ccccc2)nn3Cc2cc(C)ccc2C)c1OC 1865701492 WVMOJASSGNAAIB-RUZDIDTESA-N 492.579 5.451 50 10 JKGE CCCc1nn(Cc2cc(C)ccc2C)c2c1[C@H](c1ccc(N(CC)CC)cc1)C(C#N)=C(N)O2 1865702306 SCUGBSXQXRYDLI-AREMUKBSSA-N 469.633 5.565 50 10 JKGE COc1ccc(-c2nn(-c3ccccc3)c3c2[C@@H](c2ccc(Cl)c([N+](=O)[O-])c2)C(C#N)=C(N)O3)cc1 1865706501 XZQJRYOMAYKXJT-QFIPXVFZSA-N 499.914 5.328 50 10 JKGE Cc1nc(-c2ccc(Cl)cc2Cl)ccc1C(=O)NNC(=O)C(c1ccccc1)c1ccccc1 1865759620 JYEZFASPCRJHRZ-UHFFFAOYSA-N 490.390 5.957 50 10 JKGE N#C/C(=C\c1ccc(Br)cc1)C(=O)Nc1nc(-c2ccc3ccccc3c2)cs1 1866128691 GPGYWNSMSLLHPG-YBFXNURJSA-N 460.356 6.271 50 10 JKGE CCOC(=O)c1cc(-c2ccccc2)sc1NC(=O)/C(C#N)=C/c1cccc(Br)c1 1866131668 HSSTZOLLTVJZHQ-GZTJUZNOSA-N 481.371 5.900 50 10 JKGE CC(C)C[C@@H](C(=O)N[C@H](C)C(=O)Nc1ccc(SC#N)cc1)c1cccc(Br)c1 1867198050 OILBBQQQSUKOJE-FOIQADDNSA-N 474.424 5.295 50 10 JKGE COc1cccc(/C=C(\C#N)c2nc(O)c3ccccc3n2)c1OCc1ccc(Br)cc1 1872726820 NTJRSCXTNRFESJ-QGOAFFKASA-N 488.341 5.750 50 10 JKGE COc1cc(/C=C/C(O)=C(\C#N)c2nc(-c3cc(C(C)(C)C)ccc3C)cs2)ccc1OC(C)=O 1872756167 SQRBDCVNHQRASZ-HXYGAVEPSA-N 488.609 6.856 50 10 JKGE COc1ccc(-c2csc(/C(C#N)=C(\O)Cc3ccc(Cl)c(Cl)c3)n2)c(OC)c1OC 1872759695 WLJPTCUOAKBJLD-JXAWBTAJSA-N 477.369 6.178 50 10 JKGE COc1cccc(-c2csc(/C(C#N)=C/c3cc(Br)c(OC(C)C)c(OC)c3)n2)c1 1872781842 VPDPRNLOHVWCHA-CAOOACKPSA-N 485.403 6.441 50 10 JKGE Clc1ccc(COCCCCCI)c(I)c1 1901594147 NTHHIYUMFLSXCE-UHFFFAOYSA-N 464.512 5.067 50 10 JKGE C[C@H](CBr)N(Cc1ccccc1)C(=O)c1cc(Br)cc(Br)c1 1914230870 ZPTIZFBBRXPSRH-GFCCVEGCSA-N 490.033 5.637 50 10 JKGE O=C(c1csc(Br)c1Br)N1CC[C@]2(CCC[C@H]2Br)C1 1918946286 HVAZUSAFIODWLK-NOZJJQNGSA-N 472.040 5.053 50 10 JKGE Cc1c(Br)sc([C@@H](Br)C[C@H]2CCCOCC2)c1Br 1922930003 NZFCSAZJHZTPHM-UWVGGRQHSA-N 461.057 6.224 50 10 JKGE Cc1c(Br)sc([C@@H](Cl)c2c(F)cccc2Br)c1Br 1922946526 RZYUKMNIWDLSIE-JTQLQIEISA-N 477.418 6.811 50 10 JKGE COc1cc([C@@H](Br)c2sc(Br)cc2Br)cc(OC)c1C 1922953596 FQIMDIPBRFJCOY-CYBMUJFWSA-N 485.035 6.083 50 10 JKGE CC[C@H](C)[C@@H](c1ccccc1)[C@@H](Br)c1sc(Br)cc1Br 1922953914 ITRXMHZGUNNTIU-NZVBXONLSA-N 481.091 7.539 50 10 JKGE Cc1cccc(C[C@@H](Br)c2c(Br)sc(Br)c2Cl)c1 1923050036 PJCPXAGUDATIRL-SECBINFHSA-N 473.455 6.914 50 10 JKGE Clc1c(Br)sc(Br)c1[C@@H](Br)[C@@H]1[C@H]2C[C@@H]3[C@H]1[C@@H]3C2 2016566504 RCRKZVNJFWGRKM-BDIBXJNUSA-N 461.444 6.265 50 10 JKGE FC1(F)CCOC[C@@H]1[C@@H](Br)c1c(Br)sc(Br)c1Cl 2047875377 SZJLHFLITZLJRI-INEUFUBQSA-N 489.401 6.034 50 10 JKGE Clc1sc([C@@H](Br)c2cc(C3CC3)c(Br)s2)cc1Br 2052442675 IOBPGYWEVQQRHP-JTQLQIEISA-N 491.495 7.350 50 10 JKGE COc1cc(Br)c(OC[C@H](CBr)C2CCC2)cc1Br 2089766912 VXVXUJIBAVSVSG-JTQLQIEISA-N 457.000 5.410 50 10 JKGE COc1cc(F)c(Br)cc1[C@H](Br)c1scc(C)c1Br 2100814943 PPIRNINXHCJALL-LBPRGKRZSA-N 472.999 6.214 50 10 JKGE FC1(F)CC2(CC([C@H](Cl)c3c(Br)sc(Br)c3Br)C2)C1 2102619710 JYSQPJDJQKNWCN-QMMMGPOBSA-N 499.440 7.141 50 10 JKGE Fc1cc(Br)c(Cl)cc1[C@H](Br)c1c(Cl)cccc1Br 2113158238 CORVIOAFLQENTR-ZDUSSCGKSA-N 491.807 7.142 50 10 JKGE CC[C@@H](Br)[C@H]1CCCCN1Cc1cc(Cl)ccc1I 2114198623 RZCJUWWDKWYBCJ-UKRRQHHQSA-N 456.593 5.473 50 10 JKGE CC1(C)CCCN(Cc2cccc(Br)c2Br)[C@H]1CBr 2129323536 WVGOAZZWGXJIRS-ZDUSSCGKSA-N 454.044 5.597 50 10 JKGE CC1(C)CC[C@@H](Cl)[C@H](CNc2ncc(I)cc2Br)C1 2133383482 FEFJRHYWBMTOGO-JOYOIKCWSA-N 457.581 5.294 50 10 JKGE Brc1cc(Br)c([C@H](Br)[C@H]2C[C@H]2C2CCCCCC2)s1 2135277280 GBIVTQKOYRHIMG-COPLHBTASA-N 471.096 7.316 50 10 JKGE Cc1c(Br)ccc([C@H](Br)[C@H]2CC[C@H]3C[C@H]2CO3)c1Br 2138861495 GYBIHXCRVVGWAC-USXUVBGUSA-N 453.012 5.771 50 10 JKGE Fc1c(Cl)cccc1C[C@H](Cl)c1ccc(Br)cc1I 2142282876 JIIPUATVGFBIGD-LBPRGKRZSA-N 473.938 6.369 50 10 JKGE Cc1cccc(C[C@@H](CBr)Cc2cccc(Br)c2)c1Br 2144189789 IQCNOUKHKXYBDE-AWEZNQCLSA-N 461.035 6.316 50 10 JKGE C[C@@H]1CC[C@@H](C(C)(C)Cc2cccc(Br)c2Br)[C@@H](Br)C1 2148750305 KPHQQODDKIMIBZ-KYOSRNDESA-N 467.083 6.980 50 10 JKGE ClCc1ccc(Br)c(Cl)c1N1CCC[C@@H]1[C@@H]1CCN(Cc2ccccc2)C1 2154375680 KSCAWVUCPRMHFY-UYAOXDASSA-N 468.266 6.332 50 10 JKGE C[C@@H]1C[C@@H](n2c(CCl)nc3cc(Br)c(Cl)cc32)CCN1Cc1ccccc1 2159871949 OQVVTUVTOPVXOQ-ZBFHGGJFSA-N 467.238 6.417 50 10 JKGE C[C@H](Cl)c1nc2cc(Br)c(Cl)cc2n1Cc1nccn1Cc1ccccc1 2160078841 MJFRAMKZSQCEIH-ZDUSSCGKSA-N 464.194 6.045 50 10 JKGE Cn1nc(CC(CBr)(CBr)c2ccccc2Cl)cc1Br 2168213617 XRFBSNMBFCINEN-UHFFFAOYSA-N 485.445 5.106 50 10 JKGE C[C@@H](NCCSSCCNC(=O)OC(C)(C)C)c1cc2cc(Br)ccc2o1 2181745428 BVSUQFCSDSIMSY-CYBMUJFWSA-N 475.474 5.752 50 10 JKGE CC(C)(C)OC(=O)N1CCN(CCCCCCCCCBr)C[C@@H]1C(F)(F)F 2186716892 YAUBVXNWNKZEDY-MRXNPFEDSA-N 459.391 5.596 50 10 JKGE Fc1cc(Br)c([C@@H](Br)c2cc3cscc3s2)c(F)c1Cl 2201609961 CGAFUZKGTFXYGO-NSHDSACASA-N 458.574 7.141 50 10 JKGE COc1c(Cl)cc(Br)cc1[C@@H](Br)c1cc2cscc2s1 2202995225 QXFAZUWGIPSPSZ-CYBMUJFWSA-N 452.620 6.872 50 10 JKGE FC(F)(F)[C@H]1OC2([C@@H](Br)c3ccc(Br)cc3Br)CC1C2 2203702747 IAWUBDNBDQZKJK-GGIIHBSNSA-N 478.928 5.758 50 10 JKGE CN(C(=O)c1ccc(Br)cc1I)[C@H]1CCCCC[C@H]1Cl 2207272678 PGPMCQRKHJGEKD-OCCSQVGLSA-N 470.576 5.066 50 10 JKGE Cc1sc([C@H](Br)c2sc(Br)cc2Br)c(C)c1C 2215535005 GZCCRIOHYUHJDG-JTQLQIEISA-N 459.066 6.744 50 10 JKGE C[C@]1(C(F)F)C[C@@H]1[C@@H](Br)c1cc(Br)c(Br)cc1F 2218602185 DCMYWTVJWCZVJP-HUABCPSTSA-N 450.918 6.078 50 10 JKGE Cc1sc([C@H](Br)Cc2ccncc2Br)c(Br)c1C 2221827070 SUHJVQRAIJFWJC-SNVBAGLBSA-N 454.025 5.964 50 10 JKGE CCN[C@H](c1c(Br)cc(Cl)c(Cl)c1Cl)[C@H]1C[C@@H](Br)C1 2224322731 PUTBOOPSRULJND-NFNXHLSSSA-N 450.429 6.233 50 10 JKGE CC12CC([C@@H](Br)c3cc(Br)c(Br)cc3F)(CCO1)C2 2225619593 KTFBALRTPIRQPN-HSBZDZAISA-N 456.975 5.746 50 10 JKGE Cc1cc(Br)c([C@H](Br)[C@@H]2C(F)(F)C23CC3)c(C)c1Br 2227372480 WQDLTTHVGVXYIF-RYUDHWBXSA-N 458.966 6.310 50 10 JKGE ClCCc1nc2cc(Cl)c(Cl)cc2n1C[C@@H]1CC1(Br)Br 2233041224 SOEYOAQIHSJFKB-ZETCQYMHSA-N 461.412 5.630 50 10 JKGE O=C(c1scc(Br)c1Br)N1[C@H](CBr)C[C@H]2CCCC[C@H]21 2240728784 NHXSJLOLXXOWGQ-WCABBAIRSA-N 486.067 5.441 50 10 JKGE CCc1cc([C@H](Br)c2cc(C)ccc2I)c(F)cc1F 2241002030 SVROIKOZBYWYIZ-INIZCTEOSA-N 451.092 5.925 50 10 JKGE CCc1cc([C@H](Cl)c2c(F)cccc2I)sc1Br 2255979291 LBJUACJXPNHSNV-LBPRGKRZSA-N 459.549 6.145 50 10 JKGE Fc1ccc([C@@H](Br)c2cccc(Cl)c2Br)cc1Br 2256127519 NDZUTQLPKGRYME-GFCCVEGCSA-N 457.362 6.488 50 10 JKGE Clc1ccc([C@@H](Br)c2ccc(CC3CC3)s2)cc1I 2268286818 COTBUKSWBMHILD-OAHLLOKOSA-N 467.597 6.443 50 10 JKGE Cc1cc(C(F)(F)F)sc1[C@@H](Br)c1sc(Br)cc1Br 2277712205 AOWVLIHADRSWBI-MRVPVSSYSA-N 499.009 7.146 50 10 JKGE CCCN[C@H](Cc1cc(Br)cc(Br)c1)[C@H]1C[C@@H](Br)C1 2277952600 HCXJJGYTNVPUGM-BYCMXARLSA-N 454.044 5.296 50 10 JKGE Cc1ccc(COc2c(Br)cc(Br)cc2CBr)c(F)c1 2281579772 UJLVPTLBIATDQO-UHFFFAOYSA-N 466.970 6.133 50 10 JKGE COc1cc(C)c(Br)c(C)c1[C@@H](Br)c1cn(C)nc1Br 2285055218 AGYHLPYMUXWRBA-ZDUSSCGKSA-N 466.999 5.055 50 10 JKGE CS(=O)(=O)c1csc([C@H](Br)c2cc(Br)c(F)cc2Cl)c1 2285985658 LFKGKKSEROIXEV-GFCCVEGCSA-N 462.587 5.191 50 10 JKGE N#CC(=Cc1ccc(-c2cc(C(F)(F)F)ccc2Cl)o1)C(=O)Nc1cccc(Cl)c1Cl 2293038453 DIIODABDLAVJOH-UHFFFAOYSA-N 485.676 7.471 50 10 JKGE Brc1cc(Br)cc(C[C@@H](Br)[C@H]2CCCCC23CCC3)c1 2295331024 CYBIBFCZOLQBQV-HZPDHXFCSA-N 465.067 6.878 50 10 JKGE CCn1c2ccccc2c2cc(C=C(C#N)C(=O)Nc3sccc3C(=O)OC(C)C)ccc21 2295672214 BQJSGGGMERBPON-UHFFFAOYSA-N 457.555 5.987 50 10 JKGE N#CC(=Cc1cn(Cc2ccc(Cl)cc2)nc1-c1ccccc1)C(=O)NCCc1ccccc1 2295672274 IFCGUKJZWXWFDW-UHFFFAOYSA-N 466.972 5.518 50 10 JKGE N#CC(=CNc1cccc(Br)c1)c1nc(-c2ccc(-c3ccccc3)cc2)cs1 2296751336 VAAIQDJBUFQZAO-UHFFFAOYSA-N 458.384 7.216 50 10 JKGE N#CC(=Cc1ccccc1OCCOc1ccc(Br)cc1)c1ccc([N+](=O)[O-])cc1 2297499603 OYYRIOPBNXPGSW-UHFFFAOYSA-N 465.303 5.879 50 10 JKGE Cn1cnc(Br)c1[C@@H](Br)c1c(Cl)sc(Br)c1Cl 2300267188 GZJWIACHHZQXMG-BYPYZUCNSA-N 483.838 5.798 50 10 JKGE CC(C)(C)OC(=O)N1C[C@@H](I)[C@H](OCCC2CCCCCCC2)C1 2302983853 LPBGVWCGTOQNFA-IAGOWNOFSA-N 451.389 5.177 50 10 JKGE C[C@@H]1C[C@@H]2C[C@@H]2C[C@H]1[C@@H](Br)c1ccc(OCc2ccccc2)cc1Br 2314438874 CIDZIPKUWZRAIR-XNIIKZSRSA-N 464.241 7.146 50 10 JKGE CC1(C)CCC([C@H](Br)c2cc(Br)ccc2OCc2ccccc2)CC1 2314456625 YHYBNPKWQYWNOB-NRFANRHFSA-N 466.257 7.681 50 10 JKGE CC1(C)[C@H]2CO[C@@]1([C@@H](Br)c1ccc(OCc3ccccc3)cc1Br)C2 2314493372 ZMYSBVGTSTXQBT-MFMILTCTSA-N 466.213 6.279 50 10 JKGE Cc1ccc(NC(=O)C(C#N)=C2S[C@H](Cc3ccc(C)c(C)c3)C(=O)N2c2ccc(C)c(C)c2)cc1 2314591668 AVLNNSBMXKHZAU-HHHXNRCGSA-N 495.648 6.294 50 10 JKGE CCc1ccc(N2C(=O)[C@@H](Cc3ccccc3)SC2=C(C#N)C(=O)Nc2ccccc2OC)cc1 2314592192 NOZYTGNJMDYJDG-RUZDIDTESA-N 483.593 5.323 50 10 JKGE Cc1cccc(C[C@@H]2SC(=C(C#N)C(=O)NCc3ccco3)N(c3ccc(C(C)C)cc3)C2=O)c1 2314593891 VOFDLCBLGIGBBT-VWLOTQADSA-N 485.609 5.454 50 10 JKGE Cc1ccccc1C[C@@H]1SC(=C(C#N)C(=O)NCc2ccccc2)N(c2ccc(C(C)C)cc2)C1=O 2314594066 YMHUIOMEZVSIIU-MHZLTWQESA-N 495.648 5.861 50 10 JKGE N#CC1=C(N)Oc2cc(OC(=O)C=Cc3ccccc3Cl)ccc2[C@@H]1c1cccc(Cl)c1 2314634077 KIBZVOMGJMNZDZ-DEOSSOPVSA-N 463.320 5.830 50 10 JKGE CC[C@]1(C)[C@@H](Br)CCN1C(=O)c1cc(Br)sc1Br 2315152368 QVPAQITYNGHAKZ-QPUJVOFHSA-N 460.029 5.051 50 10 JKGE Fc1c(Br)cc(Cl)c([C@H](Br)[C@@H]2C[C@H]2C(F)F)c1Br 2315441301 FWXJDJZDMRTVMO-TTWOZLTLSA-N 471.336 6.341 50 10 JKGE Clc1cc(Cl)cc(C[C@H](Cl)c2sc(Cl)cc2I)c1 2316598726 GWXVGOBKBIFKHC-VIFPVBQESA-N 451.971 6.836 50 10 JKGE N#CC(=Cc1cccc(Br)c1)C(=O)Nc1nc(-c2ccc(Br)cc2)cs1 2329699468 FVNFWBWEZJGKGZ-UHFFFAOYSA-N 489.192 5.881 50 10 JKGE COc1ccc(C=C(C#N)C(=O)Nc2ccc(-c3nc4ccc(C)cc4s3)cc2)cc1OC 2329702941 XCQSSBQFGXYAPA-UHFFFAOYSA-N 455.539 5.835 50 10 JKGE COc1cc(C=C(C#N)c2ccccc2[N+](=O)[O-])ccc1OCc1ccc(Br)cc1 2331066310 XLXMVNBQHYGJKF-UHFFFAOYSA-N 465.303 6.009 50 10 JKGE CCCCc1ccc(N2C[C@H](C(O)=C(C#N)c3nc(-c4ccc5c(c4)CCCC5)cs3)CC2=O)cc1 2331239864 LDUKHDKIUKVNFZ-XMMPIXPASA-N 497.664 6.877 50 10 JKGE CCc1cccc(C)c1N1C[C@@H](C(O)=C(C#N)c2nc(-c3ccc(OC)c(C)c3C)cs2)CC1=O 2331362213 JRPVEXKNGYBHSK-FQEVSTJZSA-N 487.625 6.152 50 10 JKGE COc1ccc(-c2csc(C(C#N)=C(O)c3ccc(N4CCOCC4)c([N+](=O)[O-])c3)n2)c(C)c1C 2331362701 GIARBZGADVQUTJ-UHFFFAOYSA-N 492.557 5.130 50 10 JKGE CCOc1ccc(OCC)c(-c2csc(C(C#N)=C(O)C=Cc3ccc(C(=O)OC)cc3)n2)c1 2331376731 NPIVOCVJKSVGHC-UHFFFAOYSA-N 476.554 5.900 50 10 JKGE CCOc1ccc(C=CC(O)=C(C#N)c2nc(-c3cc(Cl)c(OC)cc3OC)cs2)cc1 2331378563 AUVFADBAJAUOQD-UHFFFAOYSA-N 468.962 6.385 50 10 JKGE C[C@@H](Oc1ccc(Cl)cc1Cl)C(O)=C(C#N)c1nc(-c2ccc(Cl)s2)cs1 2331402225 BSLBMTKMORWKOB-SECBINFHSA-N 457.791 7.092 50 10 JKGE COc1cc(C)c(-c2csc(C(C#N)=C(O)Cc3ccc(OCc4ccccc4)cc3)n2)cc1C 2331402435 ANVDWHBQNFBTME-UHFFFAOYSA-N 482.605 7.050 50 10 JKGE FC1(F)[C@H]2C[C@H]([C@@H](Br)c3ccc(Br)cc3Br)CC[C@H]21 2333146937 QSTLUNOGAHISEB-DRYIUFOISA-N 458.966 6.329 50 10 JKGE Brc1ccc(OCc2ccccc2)c([C@H](Br)c2ccc3c(c2)CCC3)c1 2336075180 MWSAJXKPGLQVFG-HSZRJFAPSA-N 472.220 7.001 50 10 JKGE Clc1ccc(CN2[C@H](CBr)C[C@H]3CCC[C@@H]32)cc1I 2337228493 XOKFMDYETDGCSV-XUJVJEKNSA-N 454.577 5.083 50 10 JKGE COc1ccc(C[C@@H](CBr)Cc2sccc2I)cc1 2338638857 WQKQTQWCAIQNTG-GFCCVEGCSA-N 451.167 5.158 50 10 JKGE CC(C)Cc1ccc([C@@H](Br)c2c(Br)c(Br)nn2C)s1 2338719573 JBRLJFZQJLIUCV-SNVBAGLBSA-N 471.056 5.689 50 10 JKGE CC[C@](C)(C(F)F)[C@@H](Br)c1c(C)cc(Br)c(F)c1Br 2339658270 GNTYLECPUFTQOM-AAEUAGOBSA-N 466.961 6.777 50 10 JKGE Fc1cc(CCl)ccc1OCc1ccc(I)c(Br)c1 2349803219 JTFUEZJBRUGBDA-UHFFFAOYSA-N 455.492 5.511 50 10 JKGE ClC[C@@H]1CCC[C@@H](CNCc2ccc(I)c(Br)c2)C1 2349829416 OJDXMPMIPBYVEC-VXGBXAGGSA-N 456.593 5.189 50 10 JKGE Clc1ccc(I)cc1CN1CCCC[C@@H]1CCCBr 2352432326 RKYBGIXBULMYHE-CQSZACIVSA-N 456.593 5.474 50 10 JKGE O=C(c1cc(Br)c(Cl)s1)N1CC[C@@H](Br)C[C@H]1C(F)(F)F 2361461185 RHGDGNWFUFOGOX-XRGYYRRGSA-N 455.521 5.094 50 10 JKGE Fc1c(Br)cc(Cl)c([C@H](Br)[C@@]23CCCC[C@@H]2CC3)c1Br 2362238067 UHNOIEXRVKTCPA-UKXDHYTESA-N 489.448 7.411 50 10 JKGE CC(C)[C@@H](Cl)C(C)(C)CNC(=O)c1cc(Br)ccc1I 2365857602 QMFAWMZOKDNNRU-CYBMUJFWSA-N 472.592 5.073 50 10 JKGE Cc1cccc(C(O)(C(=O)NN(C(=O)Nc2ccccc2)c2ccccc2)c2cccc(C)c2)c1 1057017 DGQVVMSIDYSZQC-UHFFFAOYSA-N 465.553 5.309 50 10 JKGE Cc1ccc(N2C(=O)[C@@H](Cc3ccccc3C)S/C2=C(\C#N)C(=O)Nc2ccc(Cl)cc2)cc1 16739806 JRXYBCVCCYDMTE-GUNDDFSMSA-N 488.012 6.022 50 10 JKGE N#C/C(=C/c1ccc(N2N=C(c3ccccc3)C[C@H]2c2ccccc2)cc1)C(=O)NCc1ccccc1 29492300 ABNQWCWMMGMLHG-CBPRFPNYSA-N 482.587 6.266 50 10 JKGE Cc1ccc2[nH]c(/C(C#N)=C\c3cn(Cc4ccc(Cl)cc4Cl)c4ccccc34)nc2c1 33247233 SOFXOPONZNVUGV-WQRHYEAKSA-N 457.364 7.245 50 10 JKGE COc1ccccc1[C@H]1C(C#N)=C(N)Oc2cc(OC(=O)[C@@H](C)Oc3ccc(C(C)C)cc3)ccc21 38650082 CGRBEIUEAMXSSU-DNOBIOAJSA-N 484.552 5.410 50 10 JKGE CCCCOc1ccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4cccc(OCC)c4)ccc32)cc1 38650849 HLODRRNFEGTQBG-HHHXNRCGSA-N 484.552 5.702 50 10 JKGE C=CCOc1ccc(C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@H]3c2cccc(OCCCC)c2)cc1 38685163 DDQZOGGJHLHDAV-NDEPHWFRSA-N 496.563 5.868 50 10 JKGE Cc1c(C(=O)NN(c2ccccc2)c2ccccc2)oc2c1/C(=N/NC(=O)c1ccc(O)cc1)CCC2 40812075 ATZDNVRTPWBFEN-BGABXYSRSA-N 494.551 5.247 50 10 JKGE COc1cc(/C=C(\C#N)c2ccc(Cl)cc2)ccc1OC(=O)[C@H](C)Oc1ccc(Cl)cc1C 40851040 VSEZGBYACZDXDH-NNIWKIFQSA-N 482.363 6.748 50 10 JKGE COc1cc(/C=N/NC(=O)COc2ccc(C(C)(C)C)cc2)ccc1OCc1ccccc1C 40911545 IYHULUIOCOIIQJ-STBIYBPSSA-N 460.574 5.409 50 10 JKGE N#C/C(=C/c1cn(Cc2ccc(Cl)cc2Cl)c2ccccc12)C(=O)Nc1ccccc1Cl 59117303 LFIITMOEQLUIDY-BOPFTXTBSA-N 480.782 7.195 50 10 JKGE Cc1ccc(-c2ccccc2)n1-c1ccc(C(=O)N/N=C/c2cn(CC(=O)O)c3ccccc23)cc1 59680387 JXKDCXFEENLKKX-OCSSWDANSA-N 476.536 5.256 50 10 JKGE Cc1ccc(-c2ccc(/C=C(/C#N)C(=O)N3CCN(c4ccccc4)CC3)o2)c(Br)c1 96487976 KHVXUVPMXRMBTQ-MNDPQUGUSA-N 476.374 5.273 50 10 JKGE Fc1ccc([C@H](Br)c2ccccc2I)cc1Br 123786264 FRVPYJDWKINQDX-ZDUSSCGKSA-N 469.917 5.677 50 10 JKGE Cc1cc(Br)c([C@H](Br)Cc2cccc(Cl)c2)cc1Br 128795822 KHUGQYRVJOFYAE-OAHLLOKOSA-N 467.426 6.852 50 10 JKGE Fc1ccc(-n2c(CCCl)nc3cc(I)ccc32)cc1Br 164246721 FQZKJEZAPDUCPN-UHFFFAOYSA-N 479.518 5.313 50 10 JKGE CCOc1cc(Cl)c([C@@H](Br)c2cc(Br)ccc2F)cc1Cl 164552293 ZBJOIDNYJFGFPJ-OAHLLOKOSA-N 456.964 6.778 50 10 JKGE COc1ccc([C@@H](Cl)c2ccccc2I)c(OC)c1Br 224827333 OBARYKCEAOACII-AWEZNQCLSA-N 467.528 5.399 50 10 JKGE CC[C@@]1(C)[C@@H](Oc2c(Br)cc(Br)cc2Br)C[C@H]1Cl 227236761 GLGYJASZJDJBHI-NTZNESFSSA-N 461.419 6.149 50 10 JKGE CCc1ccc(CC)c([C@@H](Cl)c2cc(Br)ccc2I)c1 234177265 YGUZRIKBHZBMCN-QGZVFWFLSA-N 463.584 6.507 50 10 JKGE COc1ccc([C@H](Cl)c2cc(Br)sc2Br)c(OC)c1Cl 234991539 YGECTHJQIJPHNM-JTQLQIEISA-N 461.002 6.272 50 10 JKGE C[C@@H]1Cc2cc([C@H](Br)c3cc(Br)cc(Br)c3)ccc2O1 235413096 VSPKGAKETQXSNP-ABKXIKBNSA-N 460.991 6.019 50 10 JKGE Clc1cc(Br)cc([C@@H](Cl)c2cc(Br)ccc2Br)c1 236038864 ZWAGOEWHZBYUBU-CYBMUJFWSA-N 473.817 6.956 50 10 JKGE Fc1ccc([C@@H](Br)c2ccc(Cl)cc2Br)cc1Br 236179853 WMNRZJGHRKMLSD-CYBMUJFWSA-N 457.362 6.488 50 10 JKGE CC[C@@H]1CCc2sc(C(=O)NN=Cc3ccc(N4CCC(c5ccccc5)=N4)cc3)cc2C1 254351866 RQCGABMOABOCJB-LJQANCHMSA-N 456.615 5.641 50 10 JKGE CCCCCCCCOc1ccc(-c2cc(C(=O)NN=Cc3ccccc3OCC)[nH]n2)cc1 254475005 HULXAISDVSTDPG-UHFFFAOYSA-N 462.594 5.979 50 10 JKGE CCCCCOc1ccc(O[C@H](C)C(=O)NN=Cc2ccc(OCCC)cc2OCCC)cc1 254626638 JWBJBNSIAFRWOG-OAQYLSRUSA-N 470.610 5.751 50 10 JKGE O=C(NN=Cc1c(OCc2ccc(F)cc2)ccc2ccccc12)c1cccc(C(F)(F)F)c1 254741533 YVIKMOFBVCZUNP-UHFFFAOYSA-N 466.434 6.341 50 10 JKGE C/C(C=NNC(=O)CSc1nnc(SCc2cccc3ccccc23)s1)=C/c1ccccc1 254866245 CZKVVTMXTJZXQI-KKCGZCOJSA-N 490.679 6.281 50 10 JKGE Cc1ccc([C@@H](Br)c2scc(C(F)(F)F)c2Br)cc1Br 312823673 LLSRSNMUIMHKBU-SNVBAGLBSA-N 492.980 7.085 50 10 JKGE Clc1cc(Oc2ccc(CBr)c(Br)c2)ccc1Br 313522982 QYWKPJKYOXGVKH-UHFFFAOYSA-N 455.371 6.552 50 10 JKGE O=C(OCc1ccccc1)N1C[C@H](CI)[C@H](c2ccccc2Cl)C1 382702336 DADSNTMAOQNJCR-DOTOQJQBSA-N 455.723 5.127 50 10 JKGE Cc1cccc(N2CCN(C(=O)Nc3cccc(C(=O)Nc4ccc(SC#N)cc4)c3)CC2)c1 586670751 UUJQBZCAGVMFLQ-UHFFFAOYSA-N 471.586 5.175 50 10 JKGE CC(C)(C)[Si](C)(C)OCCN1CCO[C@H](c2ccccc2CO[Si](C)(C)C(C)(C)C)C1 616647230 FCAWUXUQPAWTEX-QHCPKHFHSA-N 465.827 6.604 50 10 JKGE CC(C)(C)OC(=O)N1C[C@@H](c2ccccc2CO[Si](C)(C)C(C)(C)C)Nc2ccccc21 616689815 GVKZKUKSPHJJHU-QFIPXVFZSA-N 454.687 7.117 50 10 JKGE Cc1ccc(Br)c([C@@H](Br)c2ccc(F)c(Br)c2F)c1 691632417 UOHZBXWIBDLIPP-LBPRGKRZSA-N 454.934 6.283 50 10 JKGE Cc1c(Cl)ccc2nc([C@@H](C)Cl)n(CC3(N(Cc4ccccc4)Cc4ccccc4)COC3)c12 705604345 LETQGPVMVMFRLY-OAQYLSRUSA-N 494.466 6.769 50 10 JKGE COCc1cc(Br)c([C@H](Br)c2ccc(Cl)cc2Br)s1 710902724 MCPHZOCCOJOIRW-GFCCVEGCSA-N 489.454 6.557 50 10 JKGE CC[C@@H](C[C@@H](Br)c1cc(I)cc2c1OCC2)C(C)(C)C 711141241 GZVZYGQIRXNXGT-SWLSCSKDSA-N 451.186 6.125 50 10 JKGE C[C@H](Cl)c1nc2cc(I)ccc2n1[C@@H]1CN(Cc2ccccc2)CC1(C)C 720702278 JOYVVMIEGJXTAH-MGPUTAFESA-N 493.820 6.024 50 10 JKGE O=C([C@H](c1cccs1)N(C(=O)CCl)c1cccc(C(F)(F)F)c1)N1CC[C@H]2CCCC[C@H]2C1 725237164 ALJZRVAMJQOELB-JLHGSKIFSA-N 498.998 6.119 50 10 JKGE Cc1c(Cl)cccc1NC(=O)/C(C#N)=C\c1cc(Cl)ccc1OCc1ccccc1Cl 1083931683 UJWCGTPMEMZPRQ-WQRHYEAKSA-N 471.771 7.080 50 10 JKGE Cc1cc(/C=C(\C#N)C(=O)N2CCN(c3ccccc3)CC2)c(C)n1-c1cc(Cl)ccc1Cl 1084077660 SCWWFXNANYZLRP-RCCKNPSSSA-N 479.411 5.657 50 10 JKGE Cc1cc(/C=C(\C#N)c2ccc(Br)cc2)c(C)n1-c1ccc(C(=O)O)c(Cl)c1 1084396536 PKQOVTWSDCAFJB-LICLKQGHSA-N 455.739 6.272 50 10 JKGE O=C(CSc1nc2ccccc2[nH]1)NN=Cc1ccccc1OCc1ccccc1Cl 1084398058 JGQHQJLLGSTHPL-UHFFFAOYSA-N 450.951 5.038 50 10 JKGE CCc1ccc(NC(=O)/C(C#N)=C\c2ccccc2OCc2ccc(Br)cc2)cc1 1084655541 HRAIIROMXMUDFH-QNGOZBTKSA-N 461.359 6.136 50 10 JKGE Cc1ccc(Cl)cc1NC(=O)c1oc2c(c1C)C(=NNC(=O)COc1ccccc1)CCC2 1772749961 SWKIYUYSBFMVBJ-UHFFFAOYSA-N 465.937 5.038 50 10 JKGE CCOC(=O)c1c(-c2ccc(C)cc2C)csc1NC(=O)C(=O)Nc1ccc(SC#N)cc1 1860750208 INGJSVQBOMCOJN-UHFFFAOYSA-N 479.583 5.359 50 10 JKGE CC(C)(C)c1ccc([C@H]2C(C#N)=C(N)Oc3c2c(C(F)(F)F)nn3Cc2cccc(Cl)c2)cc1 1865682422 NZRRBQGFAORCPO-IBGZPJMESA-N 486.925 6.119 50 10 JKGE N#CC1=C(N)Oc2c(c(-c3ccccc3)nn2-c2cccc3ccccc23)[C@@H]1c1ccccc1Cl 1865686318 UNXGYVLWMBGHSW-RUZDIDTESA-N 474.951 6.564 50 10 JKGE COc1ccc(-c2nn(Cc3ccccc3)c3c2[C@H](c2cc(Cl)ccc2O)C(C#N)=C(N)O3)cc1 1865689030 IFCCQFRNXZMOSZ-HSZRJFAPSA-N 484.943 5.184 50 10 JKGE CCCc1nn(-c2ccccc2Cl)c2c1[C@@H](c1ccc(OC(C)C)c(OC)c1)C(C#N)=C(N)O2 1865696559 HMHUDVQQJLKICH-QHCPKHFHSA-N 478.980 5.492 50 10 JKGE Cn1cc([C@@H]2C(C#N)=C(N)Oc3c2c(C(F)(F)F)nn3Cc2ccc(Cl)cc2)c2ccccc21 1865699124 LMFJCKGVKVIUHN-IBGZPJMESA-N 483.881 5.313 50 10 JKGE COc1cc(/C=C(\C#N)c2ccc(Cl)cc2F)ccc1OC(=O)c1cccc([N+](=O)[O-])c1 1872729571 RYMIEDVPWLXNHO-CXUHLZMHSA-N 452.825 5.679 50 10 JKGE CCOc1ccc(-c2csc(/C(C#N)=C(O)/C(=C/c3ccc(OC)cc3)c3ccccc3)n2)cc1 1872747829 VLWDOJDFJSUPPE-JGPVJNICSA-N 480.589 7.251 50 10 JKGE CCCCCCCOc1ccc(-c2csc(/C(C#N)=C(\O)Cc3ccc(F)c(C)c3)n2)cc1 1872753301 QHJJHTCSTVQACZ-RWEWTDSWSA-N 464.606 7.642 50 10 JKGE COc1ccc(OC)c(C/C(O)=C(\C#N)c2nc(-c3cc(Cl)cc(Cl)c3OC)cs2)c1 1872754235 JJVXURKXIIMCNN-MNDPQUGUSA-N 477.369 6.178 50 10 JKGE COc1cc(OC)c(-c2csc(/C(C#N)=C(\O)[C@@H](C)Oc3ccc(Cl)cc3)n2)cc1Cl 1872756591 QVHHRKZPGTYTRF-IGUAEOCPSA-N 477.369 6.394 50 10 JKGE Cc1ccccc1COc1ccc(/C=C(\C#N)c2nc(-c3ccc(Cl)c(Cl)c3)cs2)cc1 1872790498 MZTGGWRZEZRYRL-CIAFOILYSA-N 477.416 8.069 50 10 JKGE CCCOc1ccc(-c2csc(/C(C#N)=C(\O)COc3ccc(C)c(C)c3)n2)cc1OCCC 1872818324 XDTKICHWEUIMST-GYHWCHFESA-N 478.614 6.876 50 10 JKGE Cc1cc(Br)c([C@H](Br)[C@@H]2C[C@]23CCCOC3)cc1Br 1894140124 BDYIFWOHHFUKSL-CQDKDKBSSA-N 453.012 5.773 50 10 JKGE O=C1c2ccccc2C(=O)N1C[C@@H](Cl)CCc1cc(Br)ccc1Br 1905436791 DCQNWFPFEYBFCU-ZDUSSCGKSA-N 471.576 5.048 50 10 JKGE FC(F)(F)c1cnc(N(Cc2ccccc2)[C@@H](CCl)C2CC2)c(I)c1 1915151879 MJCADNKINPZBIG-INIZCTEOSA-N 480.699 5.729 50 10 JKGE O=C(c1ccc(OCc2ccccc2)cc1)N(Cc1ccccc1)[C@@H](CBr)C1CC1 1915315822 YSZCMPOKVQMXPD-VWLOTQADSA-N 464.403 6.082 50 10 JKGE Cc1cc(Br)c([C@@H](Br)c2cc(F)cc(Cl)c2)cc1Br 1918778806 YTMVGTQYKNWXOD-AWEZNQCLSA-N 471.389 6.797 50 10 JKGE Cc1c(Br)sc([C@H](Cl)c2cccc(S(C)(=O)=O)c2)c1Br 1922898464 VQSQDBXZYDBHAL-LLVKDONJSA-N 458.624 5.313 50 10 JKGE Clc1ccc([C@H](Br)c2sc(Br)cc2Br)c(Cl)c1 1922933969 AXAYWUINKQJSQO-JTQLQIEISA-N 479.846 7.064 50 10 JKGE Clc1cccc([C@H](Br)c2c(Br)sc(Br)c2Cl)c1 1923048597 HTMORHMIBJNPCL-QMMMGPOBSA-N 479.846 7.064 50 10 JKGE FC(F)(C1CC1)[C@@H](Br)c1c(Br)sc(Br)c1Cl 1923074064 GJMOAHQVYBXAGD-LURJTMIESA-N 459.375 6.408 50 10 JKGE CC[C@H](Br)C(=O)c1c(Br)sc(Br)c1Br 1924568181 CLOBKEUKGNLQQG-VKHMYHEASA-N 469.818 5.392 50 10 JKGE C[C@]1([C@H](Br)c2c(Br)sc(Br)c2Br)C[C@@H]1F 1924605359 PXYZLPHTXFVMQA-KCPCGSIISA-N 485.836 6.220 50 10 JKGE Brc1sc(Br)c([C@H](Br)[C@@H]2CC23CC3)c1Br 1924612983 PMPBYSQJCJBVFC-UJURSFKZSA-N 479.857 6.272 50 10 JKGE CC[C@H](C(C)C)[C@@H](Br)c1c(Br)sc(Br)c1Br 1924613368 IHPKKPFEMOCSJC-HTRCEHHLSA-N 497.916 7.154 50 10 JKGE COc1ccc(Br)cc1[C@H](Br)c1c(Cl)sc(Cl)c1Cl 1925586249 WWUVKQRNARKNNY-VIFPVBQESA-N 465.421 6.964 50 10 JKGE Clc1sc(Cl)c([C@H](Cl)c2cc(Br)cc(Br)c2)c1Cl 1925590695 ZDYQXUVKOKCGDZ-MRVPVSSYSA-N 469.840 7.562 50 10 JKGE Brc1cccc(Br)c1[C@H]1CCC[C@@H](CI)O1 1938361587 JIVIEZSVEQCDGE-GZMMTYOYSA-N 459.947 5.257 50 10 JKGE Clc1c(Br)ccc(CBr)c1N1CCN(Cc2ccccc2)CC1 1939327887 CHXDKGRSZHVHJV-UHFFFAOYSA-N 458.625 5.320 50 10 JKGE CCCOC1([C@@H](Cl)c2c(Br)sc(Br)c2Br)CC1 2001724342 ZDNXWTKTHXMUOP-QMMMGPOBSA-N 467.448 6.275 50 10 JKGE COc1ccc([C@@H](Br)c2csc(Br)c2Br)c(C)c1 2032958568 HGXIKNDCTOWCKH-LLVKDONJSA-N 455.009 6.074 50 10 JKGE CC1(C)CN(Cc2ccccc2)CCN(c2cccc(Br)c2CBr)C1 2033064013 LNSZIJBEVXFQQA-UHFFFAOYSA-N 466.261 5.692 50 10 JKGE CC[C@H](Cl)c1cn(-c2cc(Br)c(Br)c(Br)c2)nn1 2034339828 SHCXRXAZKQBEEL-VIFPVBQESA-N 458.379 5.245 50 10 JKGE Clc1c(Br)cccc1Oc1ccc(CBr)cc1Br 2040201994 DARDEUKORTWUPC-UHFFFAOYSA-N 455.371 6.552 50 10 JKGE COc1cc(C)c([C@@H](Br)c2sncc2Br)cc1Br 2078010284 UYVGMFBMAJBFQG-LLVKDONJSA-N 455.997 5.469 50 10 JKGE Cc1cccc(Br)c1[C@@H](Br)c1ccc(Br)cc1Br 2083335976 WEAFEUDKWTURLQ-AWEZNQCLSA-N 497.850 6.767 50 10 JKGE O=C(NCc1cccc(CBr)c1)c1csc(Br)c1Br 2093945235 XPJAHQKYVKIQOK-UHFFFAOYSA-N 468.008 5.098 50 10 JKGE CCOc1ccc(S(=O)(=O)N(CCN(C)Cc2ccccc2)Cc2ccccc2)cc1CCl 2095885695 RJCIZGGKQVOQDC-UHFFFAOYSA-N 487.065 5.147 50 10 JKGE FC1(F)C[C@]12CCC[C@H]([C@H](Br)c1sc(Br)cc1Br)C2 2099907013 DUYARXPQBDQDGR-VIRWGQHYSA-N 479.022 6.925 50 10 JKGE O=S(=O)(c1cc(F)c(Cl)c(CBr)c1)N(Cc1ccccc1)CC1CCC1 2123269039 PDNIRTQDDYQOPU-UHFFFAOYSA-N 460.796 5.365 50 10 JKGE CO[C@@H]1CC[C@@H](C(CBr)(CBr)c2ccccc2Br)C1 2130621231 OHHFVZWOLYYNHG-VXGBXAGGSA-N 455.028 5.292 50 10 JKGE CC1(C)C[C@@](C)(CBr)CN1C(=O)c1cc(Br)sc1Br 2134834734 UNAOLFYTJRCOOX-ZDUSSCGKSA-N 474.056 5.299 50 10 JKGE CCN[C@H](c1c(C)c(Br)cc(C)c1Br)[C@H]1C[C@H](Br)C1 2136380812 CSBGAUYIUCSTOR-PGUXBMHVSA-N 454.044 5.653 50 10 JKGE Clc1cc(CC[C@H](Br)CC2CCCCC2)ccc1I 2142936547 JQNWFISDCGELAO-AWEZNQCLSA-N 455.605 6.611 50 10 JKGE Cc1cc(Br)c([C@H](Br)[C@@]23CCCC[C@H]2OCC3)cc1Br 2149061141 DPDNPJRSLRGDKH-OWCLPIDISA-N 467.039 6.305 50 10 JKGE Cc1c(Br)c(C[C@@H](CBr)Cc2ccccc2Br)nn1C 2150237094 IEBYYNCTUMAPIK-NSHDSACASA-N 465.027 5.050 50 10 JKGE Clc1ccc([C@@H](Cl)c2csc(Br)c2Br)c2ccccc12 2150341418 CAQIOPKQBASQES-CQSZACIVSA-N 451.010 7.408 50 10 JKGE O=C(c1csc(Br)c1Br)N1C[C@]2(F)CCC[C@@]2(CBr)C1 2176630552 PKSMQQAAULNSOW-CHWSQXEVSA-N 490.030 5.002 50 10 JKGE O=C(NCC[C@@H]1CCCC[C@@H]1Br)c1cc(Cl)ccc1I 2179638560 XPCWTCSXTCRZSV-GWCFXTLKSA-N 470.576 5.018 50 10 JKGE COC1(C(F)(F)F)CC([C@H](Br)c2c(Cl)sc(Br)c2Cl)C1 2182018679 DOKBXMFTQQLMAZ-SIPCTPOTSA-N 476.967 6.611 50 10 JKGE BrCc1cc(Br)c(OC[C@H]2C[C@@]23CCCOC3)c(Br)c1 2198178846 JBGWGJCZHIKEQL-IAQYHMDHSA-N 469.011 5.302 50 10 JKGE Cc1cc(Br)c(C)c([C@@H](Br)c2cc(Cl)ccc2F)c1Br 2201069554 KVQAQCZXMYUYSP-HNNXBMFYSA-N 485.416 7.105 50 10 JKGE Cc1cc(Br)c(C)c([C@@H](Br)[C@H]2CCCC23CCC3)c1Br 2201079124 QTPOCCYYOYTOGB-WBMJQRKESA-N 465.067 7.235 50 10 JKGE FC(F)(F)CCCCC(CBr)(CBr)c1ccccc1Br 2201505153 UVKWQVNGZHGSBP-UHFFFAOYSA-N 480.988 6.599 50 10 JKGE Cc1nn(C)c([C@@H](Br)c2sc(Br)cc2Br)c1Cl 2217405319 KVAUIJYXOMKMND-SSDOTTSWSA-N 463.420 5.453 50 10 JKGE COC12CCC([C@H](Br)c3cc(Br)c(Br)s3)(CC1)C2 2223621147 HXOWZOGSSQPFSA-QFWMXSHPSA-N 459.041 6.058 50 10 JKGE CC(C)[C@H](CBr)N(Cc1ccccc1)c1ncc(C(F)(F)F)cc1Br 2224024713 CEQAIMSPHSHCAG-INIZCTEOSA-N 480.166 6.289 50 10 JKGE CC(C)[C@@H](CBr)N(Cc1ccccc1)c1ncc(C(F)(F)F)cc1Br 2224024714 CEQAIMSPHSHCAG-MRXNPFEDSA-N 480.166 6.289 50 10 JKGE Clc1cccc([C@H](Br)c2c(Br)cc(Cl)c(Cl)c2Cl)c1 2224301688 CRSFDCOAVVHUNK-NSHDSACASA-N 463.811 7.547 50 10 JKGE CO[C@H]1C[C@@H](C[C@@H](Br)c2c(Br)cc(Cl)c(Cl)c2Cl)C1 2224304056 FCJCJSBBPDMRBJ-GJMOJQLCSA-N 451.413 6.660 50 10 JKGE Clc1ccc(C(CBr)(CBr)Cc2cscc2Br)cc1 2227115906 QKSFHALDWMLCDG-UHFFFAOYSA-N 487.482 6.434 50 10 JKGE CCOCc1cc(Br)c([C@H](Br)c2cc(Cl)cc(Cl)c2)s1 2233015287 GPDTZOZDKZHHNH-CYBMUJFWSA-N 459.030 6.838 50 10 JKGE Cc1ccc(C)c(C[C@H](Br)c2cc(Br)c(Br)cc2F)c1 2233974620 GCPXNLQXEOCWMU-ZDUSSCGKSA-N 464.998 6.646 50 10 JKGE ClCc1nc2cc(Br)c(Br)cc2n1Cc1csc(Cl)c1 2234065092 HKBURBOFEDUWGU-UHFFFAOYSA-N 455.002 6.063 50 10 JKGE CCCC[C@@H](C)CC[C@@H](Br)c1c(Br)cc(C)c(Br)c1C 2235610649 HAMDYWPYTIZYOT-BXUZGUMPSA-N 469.099 7.871 50 10 JKGE Cc1ccc([C@@H](Cl)c2ccc3c(c2Br)CCO3)cc1I 2238065688 HBPGWONXRBEFIO-MRXNPFEDSA-N 463.540 5.625 50 10 JKGE FC(F)(F)Oc1ccc(Cl)cc1[C@@H](Br)c1nscc1Br 2239620715 RETTUZDBOCNGCI-SECBINFHSA-N 451.489 5.942 50 10 JKGE Cl[C@H](Cc1cc(Br)cc(Br)c1)c1nscc1Br 2252837321 NOUFFLWQCYMDCI-SNVBAGLBSA-N 460.416 5.953 50 10 JKGE Cl[C@H](c1csc(I)c1)c1cc2sc(Br)cc2s1 2252901892 ISWRKVPUVRWDFN-LLVKDONJSA-N 475.623 6.720 50 10 JKGE Cc1ccc(Br)c([C@H](Br)c2sc(C)c(C)c2Br)c1 2253503500 FNYWBQMKCFNASE-ZDUSSCGKSA-N 453.037 6.683 50 10 JKGE COc1cc(Cl)c(Cl)cc1[C@@H](Br)c1cc(Br)c(Cl)s1 2264372116 UCRMKWWZCWIPIH-LLVKDONJSA-N 465.421 6.964 50 10 JKGE COc1ccc([C@H](Cl)c2cccc(C)c2I)cc1I 2269542276 FNOOREQHXLNFBT-AWEZNQCLSA-N 498.529 5.541 50 10 JKGE Cc1c(Br)ccc([C@@H](Br)C[C@@H]2CCCCC23CC3)c1Br 2279688412 NJMUYZCMOGLTCY-WFASDCNBSA-N 465.067 7.317 50 10 JKGE C[C@@H](c1ccncc1Br)[C@@H](Br)c1cc(F)c(Br)cc1F 2282138677 PQIXUCTWVABOHO-JKYUHCHBSA-N 469.949 6.125 50 10 JKGE COc1ccc([C@@H](Cl)c2ccc(OC)c(I)c2)cc1Br 2285004718 DORRRQUTEQKDSK-OAHLLOKOSA-N 467.528 5.399 50 10 JKGE COc1cc(C=C(C#N)C(=O)Nc2ncc(Cc3cc(Cl)ccc3Cl)s2)ccc1O 2293128308 IKPVMBLWTHQQQW-UHFFFAOYSA-N 460.342 5.301 50 10 JKGE N#CC(=Cc1cc(Br)ccc1OCc1ccc(Cl)cc1)c1nc2ccccc2[nH]1 2293768966 BSWMVBROKOEXJG-UHFFFAOYSA-N 464.750 6.622 50 10 JKGE COc1c(Br)cc(Cl)c(C)c1[C@@H](Cl)c1cc(Br)sc1C 2295265120 NHOZQDZYSMBWOQ-ZDUSSCGKSA-N 459.030 6.880 50 10 JKGE N#CC(=Cc1ccc(COc2c(Cl)cc(Cl)cc2Cl)o1)C(=O)Nc1sccc1C#N 2295669988 UXWAUAHJSPGWOA-UHFFFAOYSA-N 478.744 6.298 50 10 JKGE O=C(COc1ccc(-c2ccccc2)cc1)NN=Cc1ccc(-c2cccc(Br)c2)o1 2297709015 UHZTZFJLIQDRAT-UHFFFAOYSA-N 475.342 5.905 50 10 JKGE C[C@]12C[C@]([C@H](Br)c3cc(Br)ccc3OCc3ccccc3)(CO1)C2 2299498587 UJCMQCZTCUSSRN-VAMGGRTRSA-N 452.186 6.033 50 10 JKGE CC1(C)CC[C@H](CO[C@@]2(CI)CCCN(C(=O)OC(C)(C)C)C2)C1 2302680120 SJUGHBFQOJTJSL-HNAYVOBHSA-N 451.389 5.034 50 10 JKGE CCOc1cc(C=C(C#N)C(=O)Nc2cccc3ccccc23)ccc1OCc1ccc(F)cc1 2313676791 HCBYKRPBMPYNFD-UHFFFAOYSA-N 466.512 6.502 50 10 JKGE C[C@H](NC(=O)C(C#N)=Cc1ccccc1OCc1ccc(Cl)c(Cl)c1)c1ccccc1 2313730209 FOMXPMJSZIQTCK-KRWDZBQOSA-N 451.353 6.357 50 10 JKGE CC1(C)CCCC[C@@H]1[C@H](Br)c1ccc(OCc2ccccc2)cc1Br 2314499613 DWENDNFOJKFQCS-TZIWHRDSSA-N 466.257 7.681 50 10 JKGE N#CC(=Cc1ccc(-c2ccc(Br)cc2)o1)C(=O)Nc1cc(Cl)cc(Cl)c1 2314571777 LUUFGJLWQCXTLE-UHFFFAOYSA-N 462.130 6.562 50 10 JKGE CCCCNC(=O)C(C#N)=Cc1ccc(OC(=O)C=Cc2ccc(OCCC(C)C)c(OC)c2)cc1 2314785968 XMKUUSSGBNXERV-UHFFFAOYSA-N 490.600 5.562 50 10 JKGE CCCCOc1ccc(C=C(C#N)C(=O)Nc2sc(C)c(-c3ccc(F)cc3)c2C(=O)OC)cc1 2314792600 ASSJEIFHILARJI-UHFFFAOYSA-N 492.572 6.374 50 10 JKGE Fc1c(Br)cc(Cl)c([C@@H](Cl)c2cocc2Br)c1Br 2315452605 DPTMMNGGJGZRBV-JTQLQIEISA-N 481.768 6.688 50 10 JKGE Cn1nc(Br)c(Br)c1[C@H](Br)c1cc(Cl)ccc1Cl 2316725042 NQALPCRJKRHVMJ-MRVPVSSYSA-N 477.809 5.736 50 10 JKGE CC(C)(C)OC(=O)N1CCC(CI)(O[C@@H]2CCC3(CCCC3)C2)CC1 2320501226 BKWSMEJYRZSXHO-MRXNPFEDSA-N 463.400 5.321 50 10 JKGE COc1ccc([C@H](C)NC(=O)C(C#N)=CNc2cc(C(F)(F)F)cc(C(F)(F)F)c2)cc1OC 2325045508 ODEITOIIZCUFNL-LBPRGKRZSA-N 487.400 5.438 50 10 JKGE Cc1ccc(C)c(-c2csc(C(C#N)=C(O)[C@@H](C)Oc3ccc(Cl)cc3Br)n2)c1 2331319907 ZTDZDQDAWMISHU-CQSZACIVSA-N 489.822 7.103 50 10 JKGE C[C@@H](C(O)=C(C#N)c1nc(-c2ccc(Oc3ccccc3)cc2)cs1)N1C(=O)c2ccccc2C1=O 2331358855 VVEAQPSIRCZJJB-KRWDZBQOSA-N 493.544 6.080 50 10 JKGE COc1cc(-c2csc(C(C#N)=C(O)CNC(=O)c3ccc(Cl)cc3)n2)c(OC)cc1Cl 2331377030 ABEVINPXBXTNGX-UHFFFAOYSA-N 490.368 5.357 50 10 JKGE Cc1ccc(-c2csc(C(C#N)=C(O)c3ccccc3I)n2)cc1C 2331385204 JGJXOAOHDKQAON-UHFFFAOYSA-N 458.324 5.981 50 10 JKGE COc1ccc(-c2csc(C(C#N)=C(O)C(=Cc3ccccc3)c3ccccc3)n2)c2ccccc12 2331406558 ZINCOJVRHIZPCI-UHFFFAOYSA-N 486.596 8.005 50 10 JKGE COc1ccc(Cl)cc1-c1csc(C(C#N)=C(O)C=Cc2ccc(C(C)(C)C)cc2)n1 2331410922 RGJYHBQTHFNNAW-UHFFFAOYSA-N 450.991 7.276 50 10 JKGE COc1ccc(-c2csc(C(C#N)=Cc3ccc(OC(=O)c4ccccc4)cc3)n2)cc1OC 2331418374 VXBSIAOVAQLUPX-UHFFFAOYSA-N 468.534 6.111 50 10 JKGE Brc1cc(OCc2ccccc2)ccc1[C@@H](Br)[C@H]1Cc2ccccc2O1 2336052287 ZQMIOERTTJWBEJ-FGZHOGPDSA-N 474.192 6.468 50 10 JKGE Clc1ccc(CN2CC[C@@H]3C[C@H](Br)CC[C@H]32)cc1I 2337223956 SUFZNNCGXWQOEV-LALPHHSUSA-N 454.577 5.083 50 10 JKGE Fc1cc(C(F)(F)F)c(OCCCCCI)cc1Br 2339294353 XZKOAXVPOMLIII-UHFFFAOYSA-N 455.027 5.591 50 10 JKGE Cc1cc(Br)c(F)c(Br)c1[C@@H](Br)[C@H]1C(F)(F)C12CC2 2339682473 SPHDDCXBWKGCJV-MWLCHTKSSA-N 462.929 6.140 50 10 JKGE CC1(C)C[C@H](CCl)CN(Cc2ccc(I)c(Br)c2)C1 2349826683 VHELLEPZCSIJBM-GFCCVEGCSA-N 456.593 5.141 50 10 JKGE Cc1ccc(Cl)c([C@H](Br)c2c(F)cc(Cl)c(Br)c2Cl)c1 2360481723 PGICCQFCQWZVAI-LBPRGKRZSA-N 461.383 7.341 50 10 JKGE Cc1cc(Br)c([C@@H](Br)[C@@H]2COC3(C)CC2C3)c(C)c1Br 2362900313 KERJEXXNVYHGFY-VJKXKRPGSA-N 467.039 6.080 50 10 JKGE COc1c(Br)cc(C)c([C@@H](Br)C(C2CC2)C2CC2)c1Br 2365188359 KNJOWFUCQQLDIF-CQSZACIVSA-N 467.039 6.401 50 10 JKGE Clc1ccc(C[C@H](CBr)Cc2ccccc2Cl)c(I)c1 2366712132 LJUIXQPQQJCGRM-LLVKDONJSA-N 484.002 6.394 50 10 JKGE Clc1ccc(I)cc1CN1C[C@@H]2CCC[C@@](CBr)(C2)C1 2380530555 DDVWFZMZMMVVAW-WBMJQRKESA-N 468.604 5.332 50 10 JKGE Cc1ccc(C[C@@H]2S/C(=C(\C#N)C(=O)NCCc3ccccc3)N(c3ccc(C)cc3)C2=O)cc1 934969 SRLFGLWZMUBVLV-OAUQLRMZSA-N 481.621 5.089 50 10 JKGE COc1ccc(C[C@H]2S/C(=C(\C#N)C(=O)Nc3ccccc3Cl)N(c3ccccc3)C2=O)cc1 2336241 SYRMFWINOJYXLC-SLSCBCEPSA-N 489.984 5.414 50 10 JKGE CC(/C=N/NC(=O)COc1c(C(C)C)cc(Br)c(C)c1Br)=C\c1ccco1 3050530 TVSWZFUCMYTVRT-OZLSKUMYSA-N 498.215 5.821 50 10 JKGE COc1ccc(N/C(SCc2ccccc2F)=C(/C#N)S(=O)(=O)c2ccccc2)cc1Cl 20325659 QYVGGYIIZZIALC-GHVJWSGMSA-N 488.993 6.000 50 10 JKGE O=C(CSc1nc2ccccc2[nH]1)N/N=C/c1ccccc1OCc1c(F)cccc1Cl 32520585 NPLYAOOFLOXEJY-RPPGKUMJSA-N 468.941 5.177 50 10 JKGE C/C(=N/NC(=O)c1ccccc1NS(=O)(=O)c1cccs1)c1ccc(C(C)(C)C)cc1 33748590 WSLGKAGWNHYJMT-JLPGSUDCSA-N 455.605 5.000 50 10 JKGE Cc1cc(OCCn2cc(/C=C(/C#N)C(=O)NCc3cccs3)c3ccccc32)ccc1Cl 33763801 PZBNYKPXBQQYAV-RGEXLXHISA-N 476.001 5.967 50 10 JKGE Cc1cc([N+](=O)[O-])ccc1NC(=O)/C(C#N)=C\c1ccc(OC(=O)c2ccc(Cl)cc2)cc1 33930014 NFHAIEORISOMQM-AQTBWJFISA-N 461.861 5.322 50 10 JKGE CCCCCOc1ccc(C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@@H]3c2cccs2)cc1 38656414 STFZKWXGQPQIKV-XMMPIXPASA-N 460.555 5.754 50 10 JKGE COc1ccc(Br)cc1[C@H]1C(C#N)=C(N)Oc2cc(OC(=O)c3cccc(C)c3)ccc21 38660666 JTBNQWIJLNHHGL-QHCPKHFHSA-N 491.341 5.204 50 10 JKGE CCCCOc1ccccc1[C@@H]1C(C#N)=C(N)Oc2cc(OC(=O)c3cccc(OCCC)c3)ccc21 38683015 LMYUDICKFCUGBN-NDEPHWFRSA-N 498.579 6.092 50 10 JKGE COc1cccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4oc5ccc(C)cc5c4C)ccc32)c1 38687354 DEUQKGRRHHORMM-RUZDIDTESA-N 466.493 5.496 50 10 JKGE Cc1ccc2c(C)c(C(=O)Oc3ccc4c(c3)OC(N)=C(C#N)[C@H]4c3ccc([N+](=O)[O-])cc3)oc2c1 38688219 AEJINSHSFNZVST-DEOSSOPVSA-N 481.464 5.395 50 10 JKGE Cc1cc2oc(C(=O)Oc3ccc4c(c3)OC(N)=C(C#N)[C@@H]4c3ccc([N+](=O)[O-])cc3)c(C)c2cc1C 38688221 WQMLPEAKNCSOSS-RUZDIDTESA-N 495.491 5.704 50 10 JKGE Cc1ccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4sc5cccc(Cl)c5c4Cl)ccc32)o1 38688663 FGGMDUFMKSMCDI-LJQANCHMSA-N 497.359 6.547 50 10 JKGE Cc1ccc(OC(=O)c2oc3c(c2C)/C(=N/NC(=O)c2ccc(Cl)cc2Cl)CCC3)cc1 40813745 YNNSPRHEBJRSIL-ZXVVBBHZSA-N 471.340 5.893 50 10 JKGE CCc1cc(Br)ccc1-c1ccc(/C=C(\C#N)C(=O)Nc2ccc(OC)cc2)o1 58833269 SNNSIIPYNDBMAL-DTQAZKPQSA-N 451.320 5.826 50 10 JKGE CCCCCCOc1ccccc1/C=N\NC(=O)c1cccc(I)c1 59371282 ZYUSQDZUWVGKRG-JCMHNJIXSA-N 450.320 5.014 50 10 JKGE O=C(N/N=C/c1ccc(Cl)cc1Cl)c1ccc([C@@H]2Nc3ccccc3[C@H]3C=CC[C@@H]32)cc1 59471611 GIMMOLPHFIGUNM-ZDZSJDCESA-N 462.380 6.584 50 10 JKGE N#C/C(=C\c1ccc(-c2cc([N+](=O)[O-])ccc2Cl)o1)c1nnc(NC(=O)c2ccccc2)s1 83309637 MXIAKQKWLZIZEQ-GXDHUFHOSA-N 477.889 5.676 50 10 JKGE Fc1ccc(Br)cc1C[C@@H](CBr)Cc1ccccc1Br 97185898 PTTMQOHOBLPWLC-NSHDSACASA-N 464.998 6.147 50 10 JKGE C=CCOc1ccc(-c2nn(-c3ccccc3)cc2/C=C(/C#N)C(=O)Nc2ccc(OCC)cc2)cc1 102859213 XDRIZRUYRGVUQA-NMWGTECJSA-N 490.563 6.048 50 10 JKGE Brc1ccc(C[C@@H](Br)c2cc3c(cc2Br)OCCO3)cc1 109865896 IDULFPNNLNVILQ-CYBMUJFWSA-N 476.990 5.662 50 10 JKGE Cc1cc([C@H](Cl)c2cc(Br)ccc2Br)sc1Br 126029950 YYVAUTPSJBRDPR-LLVKDONJSA-N 459.428 6.672 50 10 JKGE COc1cccc(F)c1[C@H](Br)c1cc(Br)c(Br)s1 128250454 HQRGDFORKBCYBB-LLVKDONJSA-N 458.972 5.905 50 10 JKGE Cc1ccc([C@H](Br)c2cc(Br)c(Br)s2)c2ccccc12 128568449 UHKDYWQYNLKJSI-HNNXBMFYSA-N 475.043 7.219 50 10 JKGE CCC(CC)[C@H](Br)CNC(=O)c1cc(Br)cc(Br)c1 230655673 KNOCKSZLEIWLIT-CYBMUJFWSA-N 456.016 5.141 50 10 JKGE Brc1cc([C@H](Br)c2cc3c(cc2Br)OCCCO3)cs1 232483807 YHTFBWGNICSFCP-AWEZNQCLSA-N 483.019 5.919 50 10 JKGE COc1cc(F)c([C@@H](Cl)c2cc(Br)ccc2I)c(F)c1 234991734 QMDUSXIJALKUSX-AWEZNQCLSA-N 473.482 5.669 50 10 JKGE COc1ccc([C@H](Br)c2cc(I)ccc2Br)cc1C 234995487 JUZASRBBRPHTRJ-HNNXBMFYSA-N 495.980 5.855 50 10 JKGE Cc1cc(Br)c([C@@H](Br)C(C(F)(F)F)C(F)(F)F)cc1Br 235784440 QNCYFBYRCCGHJL-MRVPVSSYSA-N 492.877 6.697 50 10 JKGE COc1ccc(C(C)=NNC(=O)c2ccccc2OCc2cccc(Br)c2)c(OC)c1 252486375 JMVQAQXSQRNUBM-UHFFFAOYSA-N 483.362 5.199 50 10 JKGE O=C(/C=C/c1ccco1)Oc1cccc(C=NNC(=O)[C@H]2CC2(c2ccccc2)c2ccccc2)c1 252593035 BIFKWSHXIGAWCG-PCJHQREPSA-N 476.532 5.355 50 10 JKGE CC(=NNC(=O)c1ccc(NN=C(C)c2ccc3ccccc3c2)cc1)c1ccc2ccccc2c1 254348110 BZNINBMFAOBGFK-UHFFFAOYSA-N 470.576 6.983 50 10 JKGE CCn1c(SCC(=O)NN=Cc2ccc3c(c2)c2ccccc2n3CC)nnc1-c1ccccc1 254765353 LDLQTMVSYKBCHT-UHFFFAOYSA-N 482.613 5.335 50 10 JKGE Fc1cc2c(cc1I)nc(CCl)n2C[C@@H]1CCCN(Cc2ccccc2)C1 380017975 STIHJYIQWMCJPT-MRXNPFEDSA-N 497.783 5.431 50 10 JKGE C[C@H]1COc2ccc([C@@H](Br)c3sccc3I)cc2OC1 380586333 WTGDFCXTQFDKAV-LKFCYVNXSA-N 465.150 5.244 50 10 JKGE Clc1ccc(Br)cc1[C@@H]1CN(Cc2ccccc2)C[C@@H]1CI 382689250 LMGOMAMWSLSKCJ-WMLDXEAASA-N 490.610 5.753 50 10 JKGE C[C@@H](Cl)c1nc2cc(I)c(F)cc2n1CCCN(C)Cc1ccccc1 386984383 LAYCBONXIHMXRW-CQSZACIVSA-N 485.772 5.602 50 10 JKGE Clc1cc(Br)cc([C@H](Cl)c2cc(Cl)c(Cl)c(Cl)c2Cl)c1 404890312 WGMCKOJSMAHLBV-JTQLQIEISA-N 453.805 8.044 50 10 JKGE CC(C)(C)OC(=O)NCCN1CCOC[C@H](c2ccccc2CO[Si](C)(C)C(C)(C)C)C1 616593625 KYXKICCHEKROFA-OAQYLSRUSA-N 464.723 5.149 50 10 JKGE CC(C)(C)OC(=O)NCCN1CCOCC[C@@H]1c1cccc(CO[Si](C)(C)C(C)(C)C)c1 616657009 GMLSCIBZOVAOJJ-JOCHJYFZSA-N 464.723 5.497 50 10 JKGE CC(C)(C)OC(=O)N1c2ccccc2CC[C@H]1c1ccccc1CCO[Si](C)(C)C(C)(C)C 616668504 WEYNRVKRDIRREG-VWLOTQADSA-N 467.726 7.680 50 10 JKGE CC(C)(C)[Si](C)(C)OCCc1ccc([C@@H]2CN(CCO[Si](C)(C)C(C)(C)C)CCCO2)cc1 616682247 WRNKCMRDWVGPSJ-VWLOTQADSA-N 493.881 7.036 50 10 JKGE C[C@@H](Cl)c1nc2ccc(F)c(Br)c2n1CC[C@@H](C)N(C)Cc1ccccc1 689774451 MFCMWHABXNXZAM-HUUCEWRRSA-N 452.799 6.148 50 10 JKGE Clc1ccc(I)c(C[C@H](CBr)C2CCCCCC2)c1 696864406 FOZFMBQFLYTYFZ-CQSZACIVSA-N 455.605 6.469 50 10 JKGE Fc1cc(Br)cc(COc2c(Br)cc(Cl)cc2CBr)c1 708111571 VBXBKPXGGKLHOP-UHFFFAOYSA-N 487.388 6.478 50 10 JKGE Brc1ccc(Br)c([C@H](Br)[C@@H]2CCC[C@@H]3CCCC[C@@H]32)c1 714468247 PMTZGUPXVYWRQS-HVOFVXBASA-N 465.067 7.254 50 10 JKGE Cc1cc([C@@H](Br)c2ccc(I)c(Br)c2)cc(C)c1F 721613368 LKDZCSAGZDJBEQ-AWEZNQCLSA-N 497.971 6.294 50 10 JKGE COc1c(C)cccc1C(=O)NN=C1C(=O)N(C(c2ccccc2)c2ccccc2)c2ccccc21 1084011117 FMWTTYQSWPZVBI-UHFFFAOYSA-N 475.548 5.274 50 10 JKGE CCOc1ccc(NC(=O)/C(C#N)=C\c2cc(Cl)ccc2OCc2ccc(F)cc2)cc1 1084169058 AFXFBHWYGWRMKI-UYRXBGFRSA-N 450.897 6.002 50 10 JKGE O=C(NN=Cc1ccccc1OCc1ccc(Br)cc1)c1cccc(C(F)(F)F)c1 1084288725 JAFQNWXMDQAKMY-UHFFFAOYSA-N 477.280 5.811 50 10 JKGE O=C(COc1ccc(Br)cc1Cl)NN=Cc1c2ccccc2cc2ccccc12 1084408168 QHEHMSGDDYTQHC-UHFFFAOYSA-N 467.750 5.938 50 10 JKGE COc1cccc(-c2nnc(SCC(=O)NN=C3C[C@H]4CC[C@@]3(C)C4(C)C)n2Cc2ccco2)c1 1086829445 KIVUNOFZBIBEDM-WXTAPIANSA-N 493.633 5.006 50 10 JKGE Cc1c(C(=O)Nc2ccc(Cl)c(Cl)c2)oc2c1C(=NNC(=O)c1ccccc1Cl)CCC2 1772743957 MGXKOVLGQAWTBV-UHFFFAOYSA-N 490.774 6.271 50 10 JKGE COc1cc(C=NNC(=O)COc2ccc(C)cc2)ccc1OCc1c(Cl)cccc1Cl 1772754445 VYBKKPPPQLANMC-UHFFFAOYSA-N 473.356 5.419 50 10 JKGE CCc1cc(Br)ccc1OCC(=O)NN=Cc1cn(Cc2ccccc2)c2ccccc12 1772755786 SESIULWTHZHMCJ-UHFFFAOYSA-N 490.401 5.544 50 10 JKGE CCCCCOc1c(Br)cc([C@H]2C(C#N)=C(N)Oc3c2c(CC)nn3CC)cc1OC 1865691956 GCZRROVKKVJUQX-IBGZPJMESA-N 489.414 5.024 50 10 JKGE CCCCOc1ccc([C@H]2C(C#N)=C(N)Oc3c2c(CCC)nn3Cc2ccccc2Cl)cc1 1865693799 ZEVBKFLNRMOJAG-DEOSSOPVSA-N 477.008 5.934 50 10 JKGE CCCOc1ccc([C@@H]2C(C#N)=C(N)Oc3c2c(CCC)nn3Cc2cc(C)ccc2C)cc1 1865694553 XAPVKMXEVMMHKM-RUZDIDTESA-N 456.590 5.508 50 10 JKGE CCn1nc(C(F)(F)F)c2c1OC(N)=C(C#N)[C@H]2c1ccc(OCCCc2ccccc2)c(OC)c1 1865697523 VRGXAKPPGWWUFI-OAQYLSRUSA-N 498.505 5.160 50 10 JKGE CCCOc1ccccc1[C@@H]1C(C#N)=C(N)Oc2c1c(CCC)nn2-c1ccc(Cl)c(Cl)c1 1865703868 HPEYDRORRIFIAT-JOCHJYFZSA-N 483.399 6.139 50 10 JKGE Cc1ccc(-n2nc(-c3ccccc3)c3c2OC(N)=C(C#N)[C@H]3c2ccc(C(F)(F)F)cc2)cc1 1865711040 OONKREAWQPVJOK-JOCHJYFZSA-N 472.470 6.085 50 10 JKGE Cc1ccccc1-c1nc(Nc2ccc(SC#N)cc2)cc(N2CCc3nc[nH]c3[C@H]2C(C)C)n1 1868300305 AXHDIJSVKDWHAZ-AREMUKBSSA-N 481.629 6.252 50 10 JKGE COc1cccc(Oc2c(C(F)(F)F)oc3cc(OCc4ccc(CCl)cc4)ccc3c2=O)c1 1871438330 UWZWRULEZWRKFQ-UHFFFAOYSA-N 490.861 6.931 50 10 JKGE CC(C)(C)c1ccc(OCCC/C(O)=C(\C#N)c2nc(-c3ccc(Cl)cc3Cl)cs2)cc1 1872744739 GHZBZDYCPRHATK-ATJXCDBQSA-N 487.452 8.066 50 10 JKGE CCOc1ccc(-c2csc(/C(C#N)=C(\O)[C@H]([C@H](C)CC)N3C(=O)c4ccccc4C3=O)n2)cc1 1872747550 IEWKNCSPNGVSNK-HGIDEQORSA-N 487.581 5.712 50 10 JKGE CCCCCCCOc1ccc(-c2csc(/C(C#N)=C(\O)Cc3ccccc3F)n2)cc1 1872753260 OIJJYGMCKSKUSZ-LVWGJNHUSA-N 450.579 7.334 50 10 JKGE N#C/C(=C(/O)CCc1nc2ccccc2[nH]c1=O)c1nc(-c2ccc(Oc3ccccc3)cc2)cs1 1872753595 FNEGPNVUIQMMMI-QLYXXIJNSA-N 492.560 6.264 50 10 JKGE COc1ccc(-c2csc(/C(C#N)=C(\O)[C@H](C)Oc3ccccc3C(C)C)n2)c2ccccc12 1872758650 JVYISXVYTFTWQI-CLWLNVICSA-N 470.594 7.355 50 10 JKGE CCCCCOc1ccc(/C=C(\C#N)c2nc(-c3ccc4c(c3)CCCC4)cs2)cc1OC 1872782313 CZSMIZVYXKXNOC-BUVRLJJBSA-N 458.627 7.331 50 10 JKGE CCN(Cc1ccccc1)c1ccc(/C=C(\C#N)c2nc(-c3cc(C)ccc3OC)cs2)cc1 1872791866 WDZDYNVUIGRXBK-JJIBRWJFSA-N 465.622 7.218 50 10 JKGE Clc1cc(I)c([C@@H](Br)[C@H]2C[C@@H](Br)C2)s1 1888108426 MJTPZSFKLPILRH-UUEMRFSQSA-N 470.395 5.616 50 10 JKGE CC[C@H](Br)CN(Cc1ccccc1)C(=O)c1ccc(Br)cc1Cl 1915076372 OPWBRSVDKHEAGU-AWEZNQCLSA-N 459.609 5.918 50 10 JKGE Fc1ccc(F)c([C@@H](Br)c2sc(Br)cc2Br)c1F 1922883450 OYAJIMUGPSTSOQ-SECBINFHSA-N 464.926 6.175 50 10 JKGE Cc1c(Br)sc([C@@H](Br)c2scc(Cl)c2Cl)c1Br 1922937098 XRMKBBDHOHHRAT-ZCFIWIBFSA-N 499.902 7.434 50 10 JKGE Cc1cc([C@H](Br)c2sc(Br)c(C)c2Br)sc1C 1922940676 LUZAHWSZEKRQJK-JTQLQIEISA-N 459.066 6.744 50 10 JKGE Clc1c(Br)sc(Br)c1[C@H](Br)CC[C@H]1CCCCO1 1923039720 QIWQPHVFWNGEHS-HTQZYQBOSA-N 481.475 6.712 50 10 JKGE Clc1c(Br)sc(Br)c1[C@@H](Cl)c1cc2ccccc2s1 1923066864 WBSWIONEHGVFEC-JTQLQIEISA-N 457.039 7.469 50 10 JKGE C[C@H](C[C@H](Br)c1c(Br)sc(Br)c1Cl)C(F)F 1923075120 XBPQUOJTXUPBRQ-DMTCNVIQSA-N 461.391 6.654 50 10 JKGE C[C@H](c1ccncc1Br)[C@H](Cl)c1cc(Br)ccc1Br 1924042478 AFDBHMUPUAHNOX-CLAHSXSESA-N 468.414 6.453 50 10 JKGE FC1(F)CC12CC([C@@H](Cl)c1c(Br)sc(Br)c1Br)C2 1924569055 PHCZAGOOHZUGGZ-POUYQYJTSA-N 485.413 6.751 50 10 JKGE BrCCN(Cc1ccccc1)Cc1ccc(Br)cc1Br 1929518016 DMKWCRBFUQHDAW-UHFFFAOYSA-N 462.023 5.609 50 10 JKGE Cc1sc(Br)cc1[C@@H](Cl)c1cccc(Br)c1Br 1943902690 HPECMZFQUKFHTC-LBPRGKRZSA-N 459.428 6.672 50 10 JKGE COc1sc([C@@H](Br)c2cccc(I)c2)cc1Br 1946719756 CXYFOTYBQBXICW-NSHDSACASA-N 487.982 5.608 50 10 JKGE Fc1cc([C@@H](Cl)c2cc(I)sn2)c(F)cc1Br 2007646461 YBXKEOFPHHXPQU-SNVBAGLBSA-N 450.473 5.117 50 10 JKGE Cc1sc(Br)cc1[C@H](Br)c1cc(Br)c(Cl)cc1F 2036568637 PFTWXHYKEMONOE-LBPRGKRZSA-N 477.418 6.858 50 10 JKGE Cc1csc([C@@H](Br)c2cc(Br)c(Cl)cc2F)c1Br 2039333159 XNIREAAAPCKVER-NSHDSACASA-N 477.418 6.858 50 10 JKGE Fc1cc(Br)cc(N2C[C@@H]3CC[C@H](C2)N3Cc2ccccc2)c1CBr 2051141159 WRVSIXVYHCLKGL-CALCHBBNSA-N 468.208 5.336 50 10 JKGE CC(C)(C)CN(Cc1ccccc1)S(=O)(=O)c1ccc(Br)c(CBr)c1 2059388705 RHDWZSBSFFUMIB-UHFFFAOYSA-N 489.273 5.581 50 10 JKGE Brc1cc([C@H](Br)C2CC3(C2)CC32CCC2)sc1Br 2064001565 BMGVHKRZZQSYRQ-IYXOAMITSA-N 455.053 6.680 50 10 JKGE Cc1cc(Cl)c(Br)cc1[C@H](Br)c1cnn(C)c1Br 2082378892 DZVIHYDVSDQCPZ-NSHDSACASA-N 457.391 5.391 50 10 JKGE Cl[C@@H](c1ccc(Br)cc1I)c1ncn2ccsc12 2086145331 LJOCILQPHLKDJK-JTQLQIEISA-N 453.530 5.091 50 10 JKGE CC(C)Cc1ccc([C@H](Br)c2ccc(Br)cc2Br)s1 2087332212 JCALTBIQBDQVET-OAHLLOKOSA-N 467.064 6.956 50 10 JKGE Cl[C@H](c1csc(Br)c1Br)c1cc(Br)cc2c1OCC2 2093942442 SFXRBTVHOKTIOE-NSHDSACASA-N 487.438 6.299 50 10 JKGE C[C@H]1CCCN(C(=O)c2csc(Br)c2Br)[C@H]1CCBr 2093944875 RACWBPRIZAGRTD-WPRPVWTQSA-N 474.056 5.299 50 10 JKGE BrCc1cc(Br)cc(Br)c1OC[C@H]1CC12CCCC2 2109401502 AWQJINCFDYUZOM-LLVKDONJSA-N 453.012 6.066 50 10 JKGE CCc1nc([C@H](Cl)c2cc(Br)c(C)cc2Br)c(Br)s1 2113182014 BSLIIGGUCUSLQO-LLVKDONJSA-N 488.470 6.630 50 10 JKGE CC1(C)CCCC[C@@]1(CBr)Cc1c(Br)cccc1Br 2117013319 IFMYUXVYRCLSTR-INIZCTEOSA-N 453.056 6.736 50 10 JKGE O=C(N[C@@H](CBr)c1ccsc1)c1ccc(Br)cc1Br 2119039439 MXSIQHNYXIGGTL-LBPRGKRZSA-N 468.008 5.139 50 10 JKGE C[C@H]1Cc2cc(Br)cc([C@H](Cl)c3cc(I)sn3)c2O1 2120029294 NIEJFWHVLZJLKU-QTTZVWFDSA-N 470.557 5.162 50 10 JKGE BrCc1cc(Br)cc(Br)c1OCC1CC(C2CC2)C1 2120291213 ZMEHBHADKCUGQD-UHFFFAOYSA-N 453.012 5.922 50 10 JKGE Clc1cccc(Cl)c1C[C@H](Cl)c1ccc(Br)cc1I 2142279666 SSRFDZMUNZULNH-ZDUSSCGKSA-N 490.393 6.883 50 10 JKGE Cc1cc(Br)c(F)c([C@H](Br)c2cc(F)c(Br)cc2F)c1 2145601799 VTUHKHKFDCVQAP-CYBMUJFWSA-N 472.924 6.422 50 10 JKGE Clc1ccc(Br)cc1CC(CBr)(CBr)c1ccccc1 2166825007 LGZXMPRKDANMNO-UHFFFAOYSA-N 481.453 6.373 50 10 JKGE Cn1nc([C@@H](Br)c2cc3c(cc2Br)OCC3)c(Br)c1Cl 2167042392 OFMCLLFKYVPQCZ-JTQLQIEISA-N 485.401 5.018 50 10 JKGE CCn1cc(S(=O)(=O)N(Cc2ccccc2)[C@H](C)c2cccs2)cc1CBr 2179786602 CMDQFJJELLUWCM-MRXNPFEDSA-N 467.454 5.417 50 10 JKGE FC(F)(F)c1cc(Cl)cc([C@@H](Cl)c2cc(Br)c(Br)s2)c1 2200837753 ICDDXBXZZVIQFA-SNVBAGLBSA-N 468.947 7.274 50 10 JKGE Cc1cc(Br)c(C)c([C@H](Br)CC[C@H]2CCCCO2)c1Br 2201072165 UGWLDSCSHAEFMM-CHWSQXEVSA-N 469.055 6.614 50 10 JKGE COc1c(Cl)cc(Br)cc1[C@H](Br)c1ccc(Cl)cc1Cl 2203005418 WHDBKZIXJHPVHW-CYBMUJFWSA-N 459.392 6.902 50 10 JKGE Fc1ccc(Br)c(CO[C@@H](CI)c2cccc(Cl)c2)c1 2206272390 BSHOGDFFRVMJQT-HNNXBMFYSA-N 469.519 5.935 50 10 JKGE Cc1c(Br)csc1[C@@H](Br)c1cc(Cl)c(Br)cc1F 2219006546 KRGVCDOEUOTDNZ-NSHDSACASA-N 477.418 6.858 50 10 JKGE Cc1cc([C@@H](Br)c2c(C)sc(Br)c2C)cc(C)c1Br 2227423956 DFSJDBABUKZGDX-CQSZACIVSA-N 467.064 6.991 50 10 JKGE CCn1cc([C@@H](Br)c2c(Br)cc(C)c(Cl)c2C)nc1Br 2232514468 UUQLCOBBAAJFNL-GFCCVEGCSA-N 485.445 6.183 50 10 JKGE Clc1cc(Br)c([C@H](Br)c2cc3cscc3s2)c(Cl)c1Cl 2232515975 FBSZQDJWXRQOPK-LLVKDONJSA-N 491.484 8.170 50 10 JKGE Fc1cc(Br)cc2c1nc(CCl)n2[C@@H]1CCOC[C@@H]1OCc1ccccc1 2232918153 HMXPRODLLYAYCX-AEFFLSMTSA-N 453.739 5.224 50 10 JKGE Brc1ccc(Br)c(CN2CC[C@@H]3[C@@H](Br)CCC[C@@H]3C2)c1 2233818967 CMDLETYHDJGKGF-WPGHFRTFSA-N 466.055 5.597 50 10 JKGE CC(C)CCC[C@H](C)CCO[C@@](C)(CI)CNC(=O)OC(C)(C)C 2248814992 FUVNXXXZSSWHRZ-LPHOPBHVSA-N 455.421 5.574 50 10 JKGE COc1c([C@H](Br)c2cc(Br)sc2Br)csc1C 2250060079 VGUQEMVIMPOZKG-SECBINFHSA-N 461.038 6.136 50 10 JKGE CC1(C)[C@H]2CO[C@@]1([C@@H](Br)c1c(Br)sc(Br)c1Cl)C2 2260739419 FXWKFKZLDCFNHC-XYZUUMPBSA-N 479.459 6.178 50 10 JKGE Brc1cccc([C@H](Br)c2cc3sc(Br)cc3s2)c1 2263563671 OBKRFTTYRPDCME-ZDUSSCGKSA-N 467.045 6.972 50 10 JKGE Cc1cc(Br)c([C@@H](Cl)c2cc(Br)c(Br)s2)c(C)c1F 2264468731 MNTVRASJMQAHDD-NSHDSACASA-N 491.445 7.120 50 10 JKGE COc1ccc([C@H](Br)c2c(Cl)cccc2Cl)cc1I 2269545746 RABGVLHTGKURRT-AWEZNQCLSA-N 471.947 6.091 50 10 JKGE CC1(C)OCCC[C@H]1[C@H](Br)Cc1cc(Br)cc(Br)c1 2277952916 LKWXASXHOCRPFE-UONOGXRCSA-N 455.028 5.723 50 10 JKGE Fc1cccc(Cl)c1[C@@H](Br)Cc1cc(Br)cc(Br)c1 2277960592 JRLNVEUTPVBAHU-NSHDSACASA-N 471.389 6.683 50 10 JKGE CN(Cc1ccccc1I)c1c(CCl)ccc(Br)c1Cl 2280269716 DTONXKZBQFLOLI-UHFFFAOYSA-N 484.990 6.082 50 10 JKGE Cc1cc(Br)c([C@@H](Cl)c2cccc(Cl)c2Br)c(C)c1Cl 2283194353 OMJXCYFVVACGCY-HNNXBMFYSA-N 457.420 7.463 50 10 JKGE COc1ccc([C@@H](Br)c2ccc(Cl)cc2Cl)c(Br)c1Cl 2283563784 OYCZENYSXINXSL-LBPRGKRZSA-N 459.392 6.902 50 10 JKGE Fc1cc(C[C@@H](Br)c2cc3sc(Br)cc3s2)ccc1Cl 2295411150 ISLUEKWSPVIABY-MRVPVSSYSA-N 454.611 7.197 50 10 JKGE N#CC(=Cc1c(F)cccc1Cl)c1nc(-c2cccs2)c(NC(=O)c2cccs2)s1 2296848698 VPVRCWHVXAAVIN-UHFFFAOYSA-N 471.991 7.042 50 10 JKGE CCOc1ccc(-n2c(C)cc(C=C(C#N)C(=O)O[C@@H](C(=O)N(CC)CC)c3ccccc3)c2C)cc1 2297416905 QUWDYNZZKSGUJC-MUUNZHRXSA-N 499.611 5.553 50 10 JKGE Brc1cc(C[C@H]2CCCC[C@H](Br)C2)ccc1I 2306200028 SLTQLUPJFAEJIT-PWSUYJOCSA-N 472.002 5.940 50 10 JKGE COc1c(Br)cc(Br)cc1C=C(C#N)C(=O)Nc1cc(C)ccc1C 2313561088 TYRFWYSNYWRZII-UHFFFAOYSA-N 464.157 5.383 50 10 JKGE CC(C)CC(CC(C)C)O[C@@]1(CI)CCCN(C(=O)OC(C)(C)C)C1 2313679913 FWJWAUJXTRRHQQ-HXUWFJFHSA-N 467.432 5.669 50 10 JKGE CS(=O)(=O)[C@H]1C[C@H]([C@@H](Br)c2ccc(OCc3ccccc3)cc2Br)C1 2314449398 PULKUJONYHARGN-IDHHARJASA-N 488.241 5.287 50 10 JKGE CCCCSc1ccc(-c2nn(-c3ccccc3)cc2C=C(C#N)C(=O)NC2CCCCC2)cc1 2314478420 LEUXELKZDOXCCL-UHFFFAOYSA-N 484.669 6.787 50 10 JKGE Cc1ccccc1NC(=O)C(C#N)=Cc1c(Oc2ccc(Cl)cc2Cl)nc2ccccn2c1=O 2314532534 KKQUNNTXQOVTQN-UHFFFAOYSA-N 491.334 5.648 50 10 JKGE CCCCCCN1C(=O)C(=Cc2ccc(OCc3ccccc3)c(OC)c2)C(C)=C(C#N)C1=O 2314610375 GZJNLTSGRJIFBU-UHFFFAOYSA-N 458.558 5.447 50 10 JKGE CCCCCCCCOc1ccc(C=C2C(=O)N(Cc3ccco3)C(=O)C(C#N)=C2C)cc1OC 2314617778 ANFGPNATKCSBCK-UHFFFAOYSA-N 476.573 5.820 50 10 JKGE CCOc1ccc(C=C(C#N)C(=O)Nc2nc(-c3cccc(Br)c3)cs2)cc1 2314754550 VLALYWIPRNOZFW-UHFFFAOYSA-N 454.349 5.517 50 10 JKGE Cc1cc(Br)c([C@@H](Cl)c2cnsc2Br)c(C)c1Br 2315620395 VPTOXQUQZQVTQV-NSHDSACASA-N 474.443 6.376 50 10 JKGE Clc1cc(I)c([C@H](Br)C2CC3(CCCCC3)C2)s1 2316607507 SRFYUXQWKVQGRO-GFCCVEGCSA-N 459.618 6.803 50 10 JKGE ClCc1cnc(Oc2cc(Br)cc(Br)c2)c(Br)c1 2316724646 BPTSHYRDAILZFH-UHFFFAOYSA-N 456.359 5.900 50 10 JKGE Cc1scc([C@@H](Br)[C@H](C)c2ccncc2Br)c1Br 2320423432 KJWSZWMDWCHRHE-KRTXAFLBSA-N 454.025 6.216 50 10 JKGE Cc1cc(I)ccc1NC(=O)C(C#N)=CNc1cccc(C(F)(F)F)c1 2325405932 VCYTZJLJCGZHHL-UHFFFAOYSA-N 471.220 5.077 50 10 JKGE Cc1ccc(CBr)c(OCc2sncc2Br)c1Br 2327798799 MOKYTPUMAGIFIG-UHFFFAOYSA-N 455.997 5.450 50 10 JKGE CCc1ccc(-c2csc(C(C#N)=C(O)C=Cc3ccc(OCc4ccccc4)cc3)n2)cc1 2331245982 OTEMBJDYBUAHMM-UHFFFAOYSA-N 464.590 7.458 50 10 JKGE CCOC(=O)c1ccc(N2C[C@@H](C(O)=C(C#N)c3nc(-c4cc(C)ccc4C)cs3)CC2=O)cc1 2331319544 HWFMZJBLXONSCZ-IBGZPJMESA-N 487.581 5.449 50 10 JKGE Cc1ccc(C)c(-c2csc(C(C#N)=C(O)CCCN3C(=O)c4ccc([N+](=O)[O-])cc4C3=O)n2)c1 2331320126 JSEWRCJNIGYJQE-UHFFFAOYSA-N 488.525 5.204 50 10 JKGE CCc1cccc(C)c1N1C[C@@H](C(O)=C(C#N)c2nc(-c3c[nH]c4ccccc34)cs2)CC1=O 2331347063 RDCFJDOAFVYYFZ-SFHVURJKSA-N 468.582 6.008 50 10 JKGE COc1cccc(-c2csc(C(C#N)=Cc3cc(Br)cc(Br)c3O)n2)c1 2331421253 BTKVIAFOUXXFRG-UHFFFAOYSA-N 492.192 6.113 50 10 JKGE Cc1ccc(COc2ccc(C=C(C#N)c3nc(-c4cccc5ccccc45)cs3)cc2)cc1 2331456473 RJOQBKIDVJNBLI-UHFFFAOYSA-N 458.586 7.915 50 10 JKGE Cc1cc(Br)c([C@@H](Br)[C@@H]2C[C@@H]3CC[C@H]2O3)c(C)c1Br 2333708234 FAGKEUUPFMLRGS-MAWWSGROSA-N 453.012 5.832 50 10 JKGE Fc1cc(Cl)c(Br)c(Cl)c1[C@@H](Br)c1scc(Cl)c1Cl 2335286471 UOIBDJCIMVFURE-MRVPVSSYSA-N 487.830 7.748 50 10 JKGE Cc1cc([C@@H](Br)c2c(F)cc(Cl)c(Br)c2Cl)oc1Br 2335287860 DXBIFGKLKCCDHN-SNVBAGLBSA-N 495.795 7.043 50 10 JKGE CS[C@H]1C[C@H](CC(CBr)(CBr)c2cccc(Br)c2)C1 2335736570 WTHDNKXZWRRDGH-YEORSEQZSA-N 471.096 6.008 50 10 JKGE Clc1ccc(CC[C@H](Br)c2ccccc2Cl)cc1I 2337219890 XSWYIBBNMNGHPI-LBPRGKRZSA-N 469.975 6.667 50 10 JKGE CC(C)c1cc(Br)cc([C@H](Cl)c2sc(Cl)cc2I)c1 2338559321 VYWHNTXTFOANGX-ZDUSSCGKSA-N 490.031 7.220 50 10 JKGE Cc1c(Br)ccc([C@H](Br)C[C@H]2CC[C@@H]2C2CC2)c1Br 2342174283 SZOZGEAITSFDMR-LALPHHSUSA-N 451.040 6.782 50 10 JKGE ClC1CCC2(CC1)CN(Cc1ccc(I)c(Br)c1)C2 2349836120 LMNCHJPSWPFAMW-UHFFFAOYSA-N 454.577 5.037 50 10 JKGE CCc1cc(Br)c(OC)c([C@@H](Br)c2cnsc2Br)c1 2353032908 CPOVUHVISJQVGL-LLVKDONJSA-N 470.024 5.723 50 10 JKGE Cc1ccc(C)c([C@H](Br)c2c(Cl)cc(Br)c(F)c2Br)c1 2362230475 QKRXYOUZTNQKAT-ZDUSSCGKSA-N 485.416 7.105 50 10 JKGE Cc1cccc(C[C@@H](CBr)Cc2ccc(Cl)c(I)c2)c1 2362379500 NAHMDAHOUOGULM-OAHLLOKOSA-N 463.584 6.049 50 10 JKGE Cc1c([C@H](Cl)c2cc(Br)c(Br)cc2F)ccc(Cl)c1Cl 2364439998 FHBQPRYEWFAWBM-AWEZNQCLSA-N 461.383 7.294 50 10 JKGE CCCN[C@H](c1c(C)cc(Br)c(F)c1Br)C1CC(Br)C1 2365224467 YQHJGKWYIBGRMN-HEEBCNDISA-N 472.034 5.873 50 10 JKGE CC1(C)C[C@H](NC(=O)c2ccc(Cl)cc2I)C[C@H](Br)C1 2365590785 CKUJTISICPCYPI-GXSJLCMTSA-N 470.576 5.017 50 10 JKGE CC(C)(C)OC(=O)NC[C@]1(C(F)(F)F)CCCN1C[C@@](C)(CBr)C(C)(C)C 2380169448 SVDYZQRAFFKMIZ-MSOLQXFVSA-N 459.391 5.355 50 10 JKGE ClCc1cc(Cl)cc(Cl)c1OCc1cc(I)ccc1Cl 2380452489 IPNDQGSBMDSESD-UHFFFAOYSA-N 461.941 6.569 50 10 JKGE Cc1ccc(Oc2nc3c(C)cccn3c(=O)c2/C=C(/C#N)S(=O)(=O)c2ccc(Cl)cc2)cc1 2410116 XKHNUTHNPQBMCP-STZFKDTASA-N 491.956 5.095 50 10 JKGE C/C(=N\NC(=O)CSc1nnc(-c2cccc(Br)c2)n1C)c1ccc2ccccc2c1 12363934 MKBNKGFBZCNRTL-MFKUBSTISA-N 494.418 5.030 50 10 JKGE CCCCOc1ccc(/C=C(/C#N)C(=O)Nc2sc3c(c2C(=O)OCC)[C@H](C)CCC3)cc1 33672611 ZEJOIPQXMCHZLD-JFPYRBRCSA-N 466.603 6.089 50 10 JKGE CC(C)N(CC(=O)N1c2ccccc2-n2cccc2[C@H]1c1ccco1)C(=O)C(C)(C)CCl 35706848 MYBVZXQOFZNOKG-QHCPKHFHSA-N 453.970 5.008 50 10 JKGE COc1ccc(CC(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@@H]3c2ccc(C(C)C)cc2)cc1 38649673 OCHFXEKNELQCAK-HHHXNRCGSA-N 454.526 5.185 50 10 JKGE CCOc1cccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4oc5cc(C)c(C)cc5c4C)ccc32)c1 38701204 GCAUCPXUTFABNI-MHZLTWQESA-N 494.547 6.194 50 10 JKGE CCOc1ccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4oc5cc(C)c(C)cc5c4C)ccc32)cc1 38701375 VNRHXLCCTHWJQM-MHZLTWQESA-N 494.547 6.194 50 10 JKGE COc1cc(/C=N/NC(=O)[C@@H](C)Oc2cc(C)c(Cl)c(C)c2)ccc1OCc1ccc(C)cc1 40960342 HLBXEFSSEMQVEW-RUOGATEASA-N 480.992 5.770 50 10 JKGE Cc1ccc(NC(=O)/C(C#N)=C/c2ccc(OCc3cccc4ccccc34)c(Br)c2)cc1 59432888 OIGBCVOWRGPMNM-HZHRSRAPSA-N 497.392 7.035 50 10 JKGE Cc1ccc(-c2ccccc2)n1-c1ccc(C(=O)N/N=C/c2cc(C)n(-c3ccc(F)cc3)c2C)cc1 59680404 JKLWAAJZFJEURD-FMFFXOCNSA-N 490.582 6.763 50 10 JKGE Clc1cc(I)c(OCCCCCBr)c2ncccc12 70492091 MKPMRBFAJHWUOR-UHFFFAOYSA-N 454.533 5.437 50 10 JKGE CCc1ccc(NC(=O)/C(C#N)=C\c2cn(Cc3ccc4ccccc4c3)c3ccccc23)cc1 96476437 IMHVJQKGDOHBPN-ITYLOYPMSA-N 455.561 6.951 50 10 JKGE CCCCCCCOc1ccc(/C=C2/C(=O)N(CCCC)C(=O)C(C#N)=C2C)cc1OCC 101333154 AQWXGWLPMOESID-OQKWZONESA-N 452.595 5.827 50 10 JKGE CCOc1ccccc1N/C(SCc1ccc(C)cc1C)=C(\C#N)C(=O)NCc1cccs1 105422611 VUYMDECBUYTFPH-ROMGYVFFSA-N 477.655 6.161 50 10 JKGE CCc1ccc(N/C(SCc2cccc(F)c2)=C(\C#N)C(=O)NCc2ccc3c(c2)OCO3)cc1 105422880 XFETWBAEJLSRSX-VYIQYICTSA-N 489.572 5.514 50 10 JKGE COc1cc(Br)c([C@@H](Br)c2ccc(Br)s2)cc1OC 109860125 NRZOZMCSNAAGEZ-CYBMUJFWSA-N 471.008 5.775 50 10 JKGE Cc1ccc(C[C@H](Br)c2cc(Br)c(C)cc2Br)cc1C 128823237 KLKPQLOTELPYAI-KRWDZBQOSA-N 461.035 6.816 50 10 JKGE CCOc1cc(/C=N/NC(=O)Cc2cc(OC)ccc2Cl)ccc1OCc1ccccc1 169921932 FIVBIAXUPYTLRE-JVWAILMASA-N 452.938 5.019 50 10 JKGE COc1ccc([C@@H](Br)c2cccc(C)c2I)cc1Cl 234984288 LXJZAAPLXHYZKY-CQSZACIVSA-N 451.529 5.746 50 10 JKGE Cc1cc(C)c([C@H](Br)c2cc(Br)ccc2I)c(C)c1 235878153 FPDVWRWTNPSIFZ-MRXNPFEDSA-N 494.008 6.463 50 10 JKGE Clc1ccc([C@H](Br)c2cc(Br)ccc2I)cc1 236066181 AMPMYGDMOVKTQK-ZDUSSCGKSA-N 486.372 6.191 50 10 JKGE CCCCCc1cc2c(c(O[Si](C)(C)C(C)(C)C)c1)[C@H]1C=C(COC(C)=O)CC[C@@H]1C(C)(C)O2 256321519 SCKLQDZODWBYFB-ZEQRLZLVSA-N 486.769 7.957 50 10 JKGE Cc1cc([C@@H](Br)c2cc3c(cc2Br)OCC3)sc1Br 308439204 VJMDMSFTFOLVQQ-ZDUSSCGKSA-N 467.020 6.001 50 10 JKGE Cc1ccc2c(c1)nc(CCl)n2-c1ccc(Br)c(I)c1 312677239 YRVHUOLKRDGKMD-UHFFFAOYSA-N 461.528 5.440 50 10 JKGE COc1cc(Br)c([C@@H](Cl)c2sccc2I)cc1OC 382256731 BMSYSZNXJNYOCE-GFCCVEGCSA-N 473.557 5.461 50 10 JKGE CC(C)(C)OC(=O)NCCN1C[C@@H](c2cccc(CO[Si](C)(C)C(C)(C)C)c2)Nc2ccccc21 616692001 HULMVCHRXHPUDP-DEOSSOPVSA-N 497.756 6.706 50 10 JKGE CC(C)[C@H]1CN(c2ccc(CBr)c(Br)c2)CCN1Cc1ccccc1 704743471 KZXUXZZACWKHMV-OAQYLSRUSA-N 466.261 5.691 50 10 JKGE Cc1cc([C@H](Br)c2scc(Br)c2Br)c(F)cc1F 705425521 LBVMZQDWVYUJQK-JTQLQIEISA-N 460.963 6.344 50 10 JKGE C[C@H](Cl)c1nc2c(F)cccc2n1CC1(N(Cc2ccccc2)Cc2ccccc2)COC1 705782569 HTLBMRVZRFFYOT-FQEVSTJZSA-N 463.984 5.947 50 10 JKGE COc1cc(C=NNC(=O)c2ccccc2)cc(Br)c1OCc1cccc2ccccc12 1084377854 OBMLICAMFYONLP-UHFFFAOYSA-N 489.369 5.954 50 10 JKGE N#C/C(=C/c1cc(Br)ccc1OCc1cccc(F)c1)C(=O)Nc1ccc(Cl)cc1 1084381253 KQFFVDLRKJQUOE-BOPFTXTBSA-N 485.740 6.366 50 10 JKGE CCOc1ccc([C@H](O)CCC(=O)NN=Cc2ccc(OCc3ccccc3)c(OCC)c2)cc1 1084642661 YJXXBPOMBLIOHA-RUZDIDTESA-N 476.573 5.027 50 10 JKGE Cc1ccc(NC(=O)/C(C#N)=C/c2cc(Br)c(Sc3ccc(Cl)cc3)o2)c(C)c1 1084651106 PVIGKWHGOVAUQI-XNTDXEJSSA-N 487.806 7.009 50 10 JKGE FC(F)(F)Oc1ccc([C@H]2CN(Cc3ccccc3)C[C@@H]2CI)cc1 1614613241 FCZPXHGFELJMLT-FUHWJXTLSA-N 461.265 5.236 50 10 JKGE Cc1c(C(=O)NCc2cccnc2)oc2c1C(=NNC(=O)c1ccc(-c3ccccc3)cc1)CCC2 1772746903 IOZQZIPEONTBSX-UHFFFAOYSA-N 478.552 5.050 50 10 JKGE CCOc1ccc([C@H]2C(C#N)=C(N)Oc3c2c(-c2ccccc2)nn3Cc2cccc(Cl)c2)cc1 1865693906 MPNFSWAYUSYOSK-DEOSSOPVSA-N 482.971 5.869 50 10 JKGE Cn1cc([C@@H]2C(C#N)=C(N)Oc3c2c(-c2ccccc2)nn3-c2cccc3ccccc23)c2ccccc21 1865699061 JYAIHKDMCITAKJ-NDEPHWFRSA-N 493.570 6.402 50 10 JKGE Cc1ccccc1-c1nc(Nc2ccc(SC#N)cc2)cc(N2C[C@H](C)Cc3c(C)ccc(C)c32)n1 1868301336 OAKGTZWDDKUNKY-LJQANCHMSA-N 491.664 7.716 50 10 JKGE CCOC(=O)c1ccc(N2C[C@@H](/C(O)=C(\C#N)c3nc(-c4ccccc4Cl)cs3)CC2=O)cc1 1872746507 LFLRTDLTNADXGZ-JJXNMMKVSA-N 493.972 5.486 50 10 JKGE CCCCCCOc1ccc(/C(O)=C(\C#N)c2nc(-c3cc(C(C)(C)C)ccc3OC)cs2)cc1 1872751544 MSKODFRDISWZTJ-PNHLSOANSA-N 490.669 8.025 50 10 JKGE N#C/C(=C(/O)c1cc2ccccc2oc1=O)c1nc(-c2ccc(Oc3ccccc3)cc2)cs1 1872753787 MVSDAAMIXHTJKJ-LVWGJNHUSA-N 464.502 6.659 50 10 JKGE CCOc1ccc(-c2csc(/C(C#N)=C(O)/C=C/c3ccc(C(=O)OC)cc3)n2)c(OCC)c1 1872755421 MAMNYHMTLYWCLU-QPYNTGGJSA-N 476.554 5.900 50 10 JKGE CC(C)(C)OC(=O)N1CCC[C@H](C(=O)N/N=C/c2cccc(OCc3ccccc3Cl)c2)C1 1873499234 LAYJOWYTSFBAOF-TUCSVVMZSA-N 471.985 5.016 50 10 JKGE CCCCOc1ccc(/C(O)=C(\C#N)c2nc(-c3ccc(-c4ccccc4)cc3)cs2)cc1OCC 1873941101 WMPCUPICEDKUDK-GNVQSUKOSA-N 496.632 8.005 50 10 JKGE Cl[C@@H](c1ccc(OCc2ccccc2)cc1Br)c1cnsc1Br 1900432654 ZVFPVTSCYFOCJL-INIZCTEOSA-N 473.617 6.575 50 10 JKGE C[C@]1(C(F)(F)F)C[C@@H]1[C@@H](Br)c1sc(Br)cc1Br 1906302367 RWIQLYAKGNHXRR-MSVFPHSYSA-N 456.947 6.298 50 10 JKGE CCc1nn(CC)c(CN(Cc2ccccc2)[C@H](C)CCBr)c1Br 1915114769 IRCHPPKFQQSRPK-OAHLLOKOSA-N 457.254 5.404 50 10 JKGE Cc1cc2nc([C@H](C)Cl)n(CC3(N(Cc4ccccc4)Cc4ccccc4)COC3)c2cn1 1917612332 KVHRNKBWVKUEHA-NRFANRHFSA-N 461.009 5.511 50 10 JKGE Brc1cccc(CN2CC[C@]3(CCC[C@@H]3Br)C2)c1Br 1918936378 RTTYTTFNHUQFIS-DZGCQCFKSA-N 452.028 5.351 50 10 JKGE FC1(F)CC12CC([C@H](Br)c1sc(Br)cc1Br)C2 1922906432 JFAKMDZCLHTYBS-KSHCCYOPSA-N 450.968 6.145 50 10 JKGE Clc1cc([C@@H](Br)c2sc(Br)cc2Br)c(Cl)s1 1922929262 HQVDCMGQUCQABA-SSDOTTSWSA-N 485.875 7.126 50 10 JKGE Clc1c(Br)sc(Br)c1[C@@H](Cl)c1ccoc1Br 1923048120 FQZJWDVKHVJAEL-YFKPBYRVSA-N 469.807 6.610 50 10 JKGE CCc1ccccc1[C@@H](Br)c1c(Br)sc(Br)c1Cl 1923048423 HCMRVBIWYVVLBD-SNVBAGLBSA-N 473.455 6.973 50 10 JKGE Clc1c(Br)cccc1[C@H](Br)Cc1ncccc1Br 1924862203 UTIAVLOFPMTVLX-LLVKDONJSA-N 454.387 5.939 50 10 JKGE Clc1sc(Cl)c([C@H](Cl)c2cc(Br)sc2Br)c1Cl 1925569001 OSPYYSFHFUCRPH-RXMQYKEDSA-N 475.869 7.623 50 10 JKGE Fc1cc(Br)cc(F)c1[C@@H](Br)c1c(Cl)sc(Cl)c1Cl 1925583946 GUYFTTRMIHICIM-MRVPVSSYSA-N 471.375 7.233 50 10 JKGE Cc1cc([C@H](Cl)c2sc(Br)c(C)c2Br)c(Br)s1 1951016998 WVTOGUANKBEMTR-QMMMGPOBSA-N 479.484 7.042 50 10 JKGE Cc1cc(Br)sc1[C@@H](Br)c1c(Cl)cccc1Br 2003561507 VEQYVIRWPHMNNV-NSHDSACASA-N 459.428 6.719 50 10 JKGE FC(F)(F)[C@@H]1C[C@@H]1C[C@@H](Br)c1cc(Br)sc1Br 2012965769 UXNRTXPUNGTQRF-QPPQHZFASA-N 456.947 6.298 50 10 JKGE Cn1nc([C@H](Br)c2ccc(Br)cc2Br)cc1Br 2024281335 FSQANFNDOLNOJB-LLVKDONJSA-N 487.815 5.192 50 10 JKGE COc1cc(Br)c(C)cc1[C@@H](Br)c1nscc1Br 2029261012 BSXPVUKNHGKXLQ-LLVKDONJSA-N 455.997 5.469 50 10 JKGE CCCc1ccc([C@@H](Br)c2c(Br)cccc2Br)s1 2033091457 RBZKALLIUBASLV-CQSZACIVSA-N 453.037 6.710 50 10 JKGE COc1cc(F)c(Br)cc1[C@@H](Br)c1cscc1OCc1ccccc1 2038685930 INYZZVNPMVUAQT-LJQANCHMSA-N 486.200 6.722 50 10 JKGE COC1(C[C@H](Br)c2c(Br)sc(Br)c2Cl)CCCC1 2049788919 QGMXHMUPKSWAJK-ZETCQYMHSA-N 481.475 6.712 50 10 JKGE C[C@@H](C1CC1)N(Cc1ccccc1)S(=O)(=O)c1ccc(CBr)cc1Br 2059312640 NTSAUVSXCBITIM-AWEZNQCLSA-N 487.257 5.333 50 10 JKGE CC1(C)CN(c2cccc(Br)c2CBr)CCCN1Cc1ccccc1 2073441716 JCJNPPZIFVAHFG-UHFFFAOYSA-N 466.261 5.835 50 10 JKGE Cc1cc(Cn2nc(CBr)c(Br)c2C(F)(F)F)cc(C(F)(F)F)c1 2079230834 TVWYJQWKRSCXBU-UHFFFAOYSA-N 480.044 5.935 50 10 JKGE Cc1sc(Br)c([C@@H](Br)c2ccc(Cl)cc2Br)c1C 2082883091 DGKFTHLXPZGFQZ-LBPRGKRZSA-N 473.455 7.028 50 10 JKGE COc1c(Br)cc(C)cc1[C@@H](Br)c1ncsc1Br 2083456973 ALXOIBCFONOMMZ-SECBINFHSA-N 455.997 5.469 50 10 JKGE COc1ccc([C@H](Cl)Cc2ccccc2I)cc1Br 2087569290 FMJBKXZSRFHYBP-CYBMUJFWSA-N 451.529 5.585 50 10 JKGE C[C@H](Br)C[C@H]1CCCCN1Cc1ccc(Br)cc1Br 2092261131 NBKDBEDXIPPHDV-SMDDNHRTSA-N 454.044 5.740 50 10 JKGE C[C@]1(n2c(CCl)nc3cc(Br)c(Cl)cc32)CCN(Cc2ccccc2)C1 2103624520 QBYRTLBNVNQTCT-FQEVSTJZSA-N 453.211 5.812 50 10 JKGE Cc1c(Cl)cc([C@H](Br)Cc2ncccc2Br)cc1Br 2111083608 SEDOTIDACPAGHQ-GFCCVEGCSA-N 468.414 6.247 50 10 JKGE Cc1ncc(Oc2cc(Br)cc(F)c2CBr)cc1Br 2114266925 ZSJLEWASSOPSPS-UHFFFAOYSA-N 453.931 5.741 50 10 JKGE BrCc1cc(Br)c(OCC[C@]23CCC[C@H]2C3)c(Br)c1 2125598327 NGFWBCKKJNYHID-NHYWBVRUSA-N 453.012 6.066 50 10 JKGE O=[N+]([O-])c1sc(CBr)cc1N1CCC[C@H]1[C@@H]1CCN(Cc2ccccc2)C1 2145257545 WJYGXDUUAVPSBQ-AEFFLSMTSA-N 450.402 5.042 50 10 JKGE CCOc1ccc(Br)cc1[C@@H](Br)c1c(Br)cnn1CC 2150669458 XDQKSZTWKFCCCZ-CYBMUJFWSA-N 466.999 5.311 50 10 JKGE F[C@]12CCC[C@]1(CBr)CN(Cc1c(Br)cccc1Br)C2 2176634804 FRMYZOAMWRNKMW-GJZGRUSLSA-N 470.018 5.301 50 10 JKGE Cc1cc(Br)c(CCl)c(Oc2c(Cl)cc(Br)cc2Cl)c1 2203006410 FPLQBWQUGRLSMJ-UHFFFAOYSA-N 459.392 7.358 50 10 JKGE Cc1c(Br)ccc([C@H](Br)Cc2c(F)cccc2Cl)c1Br 2203685656 MVIQNJXKLQNTFO-GFCCVEGCSA-N 485.416 6.991 50 10 JKGE Clc1cc(Br)ccc1C[C@H](Br)c1nscc1Br 2215854966 XBPBFEXTQHSYPA-QMMMGPOBSA-N 460.416 6.000 50 10 JKGE Fc1cc(Br)c(Br)cc1[C@@H](Cl)c1cc(Cl)c(Cl)s1 2218597393 LWGIYFGWHASSJZ-SNVBAGLBSA-N 453.385 7.047 50 10 JKGE Cc1cc(Br)c([C@H](Br)[C@@H](C)C(F)(F)F)c(C)c1Br 2220143200 CSQNFVUYJZNAKX-RDDDGLTNSA-N 452.934 6.463 50 10 JKGE O=C(Nc1ccccc1CCBr)c1cc(Br)sc1Br 2230677849 NHUXDGWPCAVGQO-UHFFFAOYSA-N 468.008 5.463 50 10 JKGE Cc1ccc([C@H](Br)c2c(Br)cc(C)c(Cl)c2C)c(Br)c1 2232527944 FUGUWBXYFSDBKN-HNNXBMFYSA-N 481.453 7.275 50 10 JKGE COc1cc(F)c(F)cc1[C@@H](Br)c1ccc(C)c(I)c1 2232835527 UNHZTYHTLXBYEB-HNNXBMFYSA-N 453.064 5.371 50 10 JKGE COCC1([C@H](Br)c2c(Br)cc(C)c(Br)c2C)CCCC1 2235614683 KKDGSKYQFNTEBZ-OAHLLOKOSA-N 469.055 6.471 50 10 JKGE Brc1cccc(Br)c1[C@H](Br)c1ccc([C@@H]2CCOC2)s1 2240431690 LJPSMFQZNXUSEL-RFAUZJTJSA-N 481.047 6.261 50 10 JKGE Cl[C@H](C[C@@H]1CCCC12CC2)c1c(Br)sc(Br)c1Br 2255252456 ADUDYWOVOFYMIN-JGVFFNPUSA-N 477.487 7.286 50 10 JKGE Fc1cc(Cl)c([C@@H](Br)c2ccc(Br)cc2)cc1Br 2258114131 WLVAMXYSVJZSEN-ZDUSSCGKSA-N 457.362 6.488 50 10 JKGE C[C@@](CI)(OC1CCN(Cc2ccccc2)CC1)c1ccccc1F 2259432877 KWMQXDUZADFONL-NRFANRHFSA-N 453.339 5.157 50 10 JKGE ClCc1cnc(Oc2cc(I)ccc2Cl)c(Br)c1 2259953173 LSACIPZMTIJSGL-UHFFFAOYSA-N 458.908 5.633 50 10 JKGE Fc1cc(Br)c(F)c(Br)c1[C@@H](Cl)c1occc1Br 2259993988 ADZCGEDTKVMURA-SECBINFHSA-N 465.313 6.174 50 10 JKGE COc1ccc([C@H](Br)c2cc(Cl)c(Cl)s2)c(Br)c1Cl 2268282502 XRBAZFQACRYUIM-VIFPVBQESA-N 465.421 6.964 50 10 JKGE COc1cccc(C[C@@H](Br)c2ccc(Cl)c(I)c2)c1 2268323963 WNBDAABSQIYEQP-CYBMUJFWSA-N 451.529 5.632 50 10 JKGE COc1cc(C)c(Br)c(C)c1[C@@H](Br)c1csc(Br)c1 2269602459 CTSBTOOXDUOODA-AWEZNQCLSA-N 469.036 6.383 50 10 JKGE Cc1ccc(Br)cc1[C@@H](Cl)Cc1cc(Br)cc(Br)c1 2277963100 PNHOJZQRAPHOBM-HNNXBMFYSA-N 467.426 6.805 50 10 JKGE COc1cc(Cl)c(Cl)cc1[C@H](Br)c1ccc(Br)c(Cl)c1 2279046942 JLVSPYBEEBAQTF-CQSZACIVSA-N 459.392 6.902 50 10 JKGE CCOc1ccc([C@H](Br)c2cccc(Cl)c2Br)cc1Br 2283188257 LAJSVUVWIJGYAR-AWEZNQCLSA-N 483.425 6.748 50 10 JKGE CC(C)(C)CC(C)(C)c1ccc(OCC(=O)NN=CC=Cc2ccc(Br)cc2)cc1 2293250174 CIIWULKQTIMNKQ-UHFFFAOYSA-N 471.439 6.357 50 10 JKGE CCOc1ccc(NC(=O)C(C#N)=Cc2c(C)n(Cc3ccccc3C#N)c3ccccc23)cc1 2294146943 IWLSGTBDQCXSPS-UHFFFAOYSA-N 460.537 5.814 50 10 JKGE COc1c(Br)cc(Cl)cc1[C@@H](Br)c1nn(C)c(Cl)c1Cl 2295265892 WOEUTEYTQLHPRE-MRVPVSSYSA-N 463.384 5.636 50 10 JKGE N#CC(=Cc1ccc(-c2ccc(Br)cc2)o1)c1nn(-c2ccccc2)c(N)c1C#N 2297549621 OYYWPZPMYMUJPU-UHFFFAOYSA-N 456.303 5.413 50 10 JKGE Fc1c(Cl)cccc1[C@H](Br)c1sc(Cl)cc1I 2300954170 UBMIFLLLQAYACA-VIFPVBQESA-N 465.940 6.283 50 10 JKGE CCOC(=O)C(C#N)=Cc1cc(Br)c(OCc2ccccc2Cl)c(OCC)c1 2313521465 PZGRPIJPXQGQQJ-UHFFFAOYSA-N 464.743 5.550 50 10 JKGE Cc1c(Br)c(C=C(C#N)c2ccc(Br)cc2)c(C)n1-c1ccccc1 2313557163 VTOZBWFJXKCCKQ-UHFFFAOYSA-N 456.181 6.683 50 10 JKGE N#CC(=Cc1cccc(OCc2ccc(Cl)cc2Cl)c1)C(=O)Nc1ccccc1Cl 2313631818 WKNOPHUTDYPCNX-UHFFFAOYSA-N 457.744 6.771 50 10 JKGE CCOc1cc(C=C(C#N)C(=O)Nc2c(C)cccc2C)ccc1OCc1ccc(Cl)cc1Cl 2313667533 OTRFYHGJAOZLIZ-UHFFFAOYSA-N 495.406 7.134 50 10 JKGE CCOC(=O)c1ccc(-c2ccc(C=C(C#N)c3nc(O)c4cc(OCC)ccc4n3)o2)cc1 2314433123 JYPFMUNLJNRLTH-UHFFFAOYSA-N 455.470 5.235 50 10 JKGE O=S1(=O)CCC[C@@H]([C@@H](Br)c2cc(Br)ccc2OCc2ccccc2)C1 2314497237 IXZZJVMAYXIYHI-DNVCBOLYSA-N 488.241 5.289 50 10 JKGE N#CC(=Cc1ccc(-c2ccc(Cl)cc2)o1)C(=O)Nc1cc(C(F)(F)F)cc(C(F)(F)F)c1 2314572161 UUQZYLMBHHNXDC-UHFFFAOYSA-N 484.783 7.183 50 10 JKGE CCCCCCCOc1ccc(C=C2C(=O)N(CCCC)C(=O)C(C#N)=C2C)cc1OCC 2314609955 AQWXGWLPMOESID-UHFFFAOYSA-N 452.595 5.827 50 10 JKGE Ic1cccc(CO[C@H]2CCCCCC[C@H]2I)c1 2319029841 KODKSSWYVASANN-CABCVRRESA-N 470.132 5.334 50 10 JKGE CCN(CC)S(=O)(=O)c1ccc(C(=O)Oc2ccc(C=C(C#N)c3ccccc3)cc2OC)cc1 2320507022 XAWMRUQIARKBDG-UHFFFAOYSA-N 490.581 5.009 50 10 JKGE Cc1nc(-c2ccc(Cl)cc2Cl)ccc1C(=O)NN=Cc1cccc(OCc2ccccc2)c1 2321242336 JNHFJFVISTUOSJ-UHFFFAOYSA-N 490.390 6.707 50 10 JKGE Nc1cccc(C(=O)NN=Cc2ccc(-n3nc(-c4ccccc4)cc3-c3ccccc3)cc2)c1 2323222624 VXGLNRPSMMAGRP-UHFFFAOYSA-N 457.537 5.552 50 10 JKGE N#CC(=CNCCc1ccccc1Br)C(=O)Nc1ccc(Oc2ccccc2)cc1 2325141583 GANGDVGVHBQZRC-UHFFFAOYSA-N 462.347 5.420 50 10 JKGE COc1cc(C=C(C#N)c2ccccc2[N+](=O)[O-])ccc1OCc1c(Cl)cccc1Cl 2331065991 GEFQSFFVGFHULK-UHFFFAOYSA-N 455.297 6.553 50 10 JKGE CCc1cccc(C)c1N1C[C@H](C(O)=C(C#N)c2nc(-c3ccc(Cl)c(Cl)c3)cs2)CC1=O 2331311631 HEMSXBIVLSVCAD-QGZVFWFLSA-N 498.435 6.834 50 10 JKGE COc1ccc(-c2csc(C(C#N)=C(O)[C@H]3CC(=O)N([C@H](C)c4ccccc4)C3)n2)cc1F 2331336848 CYXZNJWUXONCKG-QAPCUYQASA-N 463.534 5.360 50 10 JKGE Cc1cccc(OCC(O)=C(C#N)c2nc(-c3ccc(Oc4ccccc4)cc3)cs2)c1C 2331358999 OEFVWJVDNLBSLF-UHFFFAOYSA-N 454.551 7.091 50 10 JKGE COc1c(C)cc(Cl)cc1-c1csc(C(C#N)=C(O)[C@@H](C)Oc2ccc(Cl)cc2)n1 2331392269 LHSJQEDLSCABCL-CYBMUJFWSA-N 461.370 6.694 50 10 JKGE CCOC(=O)Oc1ccc(C(O)=C(C#N)c2nc(-c3cc(Cl)ccc3Cl)cs2)cc1 2331404051 VQQZPRFRWYCARD-UHFFFAOYSA-N 461.326 6.602 50 10 JKGE N#CC(=Cc1ccccc1OCc1ccccc1Cl)c1nc(-c2cccc(Cl)c2)cs1 2331440234 RRMUFOHLSHYNRR-UHFFFAOYSA-N 463.389 7.760 50 10 JKGE C[C@@H]1CCC[C@]12[C@@H](Cl)C[C@@H]2Oc1cc(Br)cc(I)c1 2338756688 BZPKKBQBEBDNLK-JUTUQKRISA-N 455.561 5.619 50 10 JKGE Clc1cc(I)c([C@H](Br)[C@H]2CCc3ccccc3C2)s1 2338773987 SUOGXASXQOWYLE-SMDDNHRTSA-N 467.597 6.247 50 10 JKGE COc1c(Br)cc(C)c([C@H](Br)[C@@H]2C[C@@H]2C(C)C)c1Br 2339679958 QUPOYXKSZCKIQJ-GIPNMCIBSA-N 455.028 6.257 50 10 JKGE CN(CC[C@@H](Br)c1cccs1)Cc1ccc(I)cc1 2340416974 CSHSBIFYYATJOV-CQSZACIVSA-N 450.183 5.311 50 10 JKGE Clc1ccc(C[C@@]2(CBr)CCO[C@@H]2C2CC2)c(I)c1 2341053889 ZTKMPJWUCHFZOA-HUUCEWRRSA-N 455.561 5.067 50 10 JKGE Clc1cc(Cl)cc(CC[C@H](Cl)c2csc(Br)c2Br)c1 2341175757 CEUDKJNKTNMDHR-NSHDSACASA-N 463.449 7.493 50 10 JKGE CC(C)c1cccc([C@H](Br)c2c(Br)sc(Br)c2Cl)c1 2343660300 FIRAATIHAMZPEX-NSHDSACASA-N 487.482 7.534 50 10 JKGE ClCC1(CNCc2ccc(I)c(Br)c2)CCCCC1 2349844128 CDIHEPGMZOLBGD-UHFFFAOYSA-N 456.593 5.333 50 10 JKGE CC(C)(CBr)[C@H]1CCCN1Cc1cc(I)ccc1Cl 2352419703 JEKCWTISHYGYAK-CQSZACIVSA-N 456.593 5.330 50 10 JKGE BrCC(CBr)(C[C@@H]1C[C@H]2CC[C@@H]1O2)c1ccccc1Br 2354997341 ARKFGNHVHSPILX-ZOWXZIJZSA-N 467.039 5.434 50 10 JKGE CC[C@H]([C@@H](Br)c1c(C)cc(Br)c(OC)c1Br)C(C)(F)F 2365192379 BRJBRRFMVDRIJY-LDYMZIIASA-N 478.997 6.646 50 10 JKGE COc1c(Br)cc(C)c([C@H](Br)CC2CCOCC2)c1Br 2365193533 IYQPHASQPKJCQP-LLVKDONJSA-N 471.027 5.781 50 10 JKGE Cc1cc(Br)c(F)c(Br)c1[C@H](Br)[C@H]1CC2(CCC2)CO1 2365223151 KOJSVGBHPOESHP-ZYHUDNBSSA-N 471.002 6.054 50 10 JKGE Cc1cc(Br)c([C@@H](Br)[C@]23C[C@H](C[C@H](C)O2)C3)c(C)c1Br 2368714440 UGBHOLNGSPEUCW-PLVUELBSSA-N 467.039 6.222 50 10 JKGE O=C(NNC(=S)NC(=O)c1sc2ccccc2c1Cl)c1sc2ccccc2c1Cl 12502499 WCEMBFFATOJHMF-UHFFFAOYSA-N 480.423 5.372 50 10 JKGE N#C/C(C(=O)Nc1ccc(Cl)cc1)=C1\S[C@@H](Cc2ccc(Cl)cc2)C(=O)N1c1ccccc1 13564085 VDIRWHHKAVXNED-SCIJIFGBSA-N 494.403 6.058 50 10 JKGE COc1cc(/C=C(/C#N)c2ccccc2F)ccc1OC(=O)/C=C/c1ccc(Cl)cc1Cl 31901780 MXBOCSILDFPVQL-SAYABCIWSA-N 468.311 6.824 50 10 JKGE COc1cccc(C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@@H]3c2cccc(Oc3ccccc3)c2)c1 38660768 FWNMQHUPJFXMDZ-MUUNZHRXSA-N 490.515 5.925 50 10 JKGE CCCCCOc1cccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4ccccc4OC)ccc32)c1 38684765 KZNBRLNAGWWGQZ-MHZLTWQESA-N 484.552 5.702 50 10 JKGE Cc1c(C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@@H]3c2ccc(C(C)(C)C)cc2)oc2ccccc12 38687149 UCHKJDITIJQCEC-AREMUKBSSA-N 478.548 6.476 50 10 JKGE Cc1ccc2c(C)c(C(=O)Oc3ccc4c(c3)OC(N)=C(C#N)[C@H]4c3ccc(Cl)cc3)oc2c1 38687770 WRIZTTATEZWVFH-DEOSSOPVSA-N 470.912 6.140 50 10 JKGE COc1cc(/C=C(\C#N)C(=O)Nc2cc(C(F)(F)F)cc(C(F)(F)F)c2)cc(OC)c1OC 39884882 BKRYBOLNWPJWKS-UUILKARUSA-N 474.357 5.296 50 10 JKGE Nc1c(NNC(=O)c2ccc(Cl)cc2Cl)ncnc1Nc1ccc(Cl)cc1Cl 40783288 TXTINXXDBNHVSJ-UHFFFAOYSA-N 458.136 5.173 50 10 JKGE Cc1c(C(=O)N2c3ccccc3C[C@@H]2C)oc2c1/C(=N/NC(=O)c1cccc(Cl)c1)CCC2 40813299 XGFNORNHNUCKKB-GQIVLKDASA-N 461.949 5.303 50 10 JKGE Cc1c(C(=O)NCc2ccccc2)oc2c1/C(=N/NC(=O)c1ccc(-c3ccccc3)cc1)CCC2 40822663 OQCHVFLKUJYFTM-WGPBWIAQSA-N 477.564 5.655 50 10 JKGE O=C(CSc1nc(-c2ccccc2)cs1)N/N=C/c1ccccc1OCc1ccc(Cl)cc1 40924511 IMZQDDXBKDTYMS-MZJWZYIUSA-N 494.041 6.285 50 10 JKGE N#C/C(=C/c1cccc(OCc2ccccc2F)c1)C(=O)Nc1sc2c(c1C#N)CCCC2 59116614 IVDSGDDPCHOBJO-UNOMPAQXSA-N 457.530 5.762 50 10 JKGE CCOc1ccc(NC(=O)N/N=C/c2cc(Br)c(Sc3ccc(Cl)cc3)o2)cc1 59250353 NSUZWZZYQILYSX-FSJBWODESA-N 494.798 6.401 50 10 JKGE CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(CC)cc2)ccc1OCc1ccc(Cl)cc1Cl 59296953 KLWPSQIZNIZSNU-FYJGNVAPSA-N 495.406 7.079 50 10 JKGE CCCOc1c(Br)cc(/C=C(\C#N)C(=O)Nc2cccc(C)c2C)cc1OCC 59474951 LZRCLCXEXDAMLF-WOJGMQOQSA-N 457.368 5.799 50 10 JKGE COc1cc(/C=C(\C#N)C(=O)Nc2cccc(C)c2C)ccc1OCc1cccc(C(=O)O)c1 59678912 BLGUWJJKJPNRES-WSDLNYQXSA-N 456.498 5.135 50 10 JKGE CC(C)(C)[C@H](CBr)COc1c(I)cc(Cl)c2cccnc12 96871355 NWRHDOPQMPHSMQ-SNVBAGLBSA-N 482.587 5.929 50 10 JKGE COc1ccc([C@H](Br)c2cc(Br)ccc2Br)cc1OC 109844907 ZOSLIDUPHWVSFT-HNNXBMFYSA-N 464.979 5.713 50 10 JKGE Fc1ccc(C(F)(F)F)cc1[C@@H](Br)c1cc(Br)sc1Br 125430312 QRZDAWMDHDYIMV-SNVBAGLBSA-N 496.943 6.915 50 10 JKGE COc1cc(F)c([C@@H](Br)c2cc(Br)c(Br)s2)c(F)c1 128856624 YTNRSBXHBHDBHE-NSHDSACASA-N 476.962 6.044 50 10 JKGE Cc1cc([C@@H](Cl)c2cc(Br)ccc2Br)c(C)cc1Br 161103871 SBULUHLZRVJIRQ-OAHLLOKOSA-N 467.426 6.919 50 10 JKGE Fc1cccc(Br)c1[C@H](Br)c1ccc(Br)c2ccccc12 161217560 JJAYBXHDQISPJQ-QGZVFWFLSA-N 472.977 6.988 50 10 JKGE CC(C)[C@H]1CC[C@@H](C)C[C@H]1O[C@@H](CI)c1ccc(Br)cc1 162040065 XPKWGWWEJZPSTQ-PILAGYSTSA-N 465.213 6.403 50 10 JKGE CCOc1cc(/C=N\NC(=O)Cc2ccc(OC)cc2)ccc1OCc1ccccc1Cl 169901132 RYLIOWBHJZESSE-YUMHPJSZSA-N 452.938 5.019 50 10 JKGE BrCc1c(Oc2ccc(Br)cc2Br)nc2ccccn12 218322485 BDESMXJVANJWPR-UHFFFAOYSA-N 460.951 5.547 50 10 JKGE C[C@@H]1CCCC[C@H]1NC(=O)[C@H](c1ccc(Cl)cc1)N(C(=O)CCl)c1ccc(F)cc1 230274958 ISPMUNQAXYZMHV-QPJICYPMSA-N 451.369 5.487 50 10 JKGE Cc1cc(C)c(C)c([C@H](Br)c2ccc(I)c(Cl)c2)c1C 232343021 JYHRANNMLKBCBW-QGZVFWFLSA-N 463.584 6.663 50 10 JKGE COc1ccc([C@@H](Br)c2ccc(I)c(Cl)c2)c(F)c1 232343606 SQZFDFBIRLOFHH-AWEZNQCLSA-N 455.492 5.577 50 10 JKGE O=C(c1cc(Br)sc1Br)N(CCBr)C1CCCCC1 232487247 GQBMJHGSIBQMPX-UHFFFAOYSA-N 474.056 5.443 50 10 JKGE Cc1ccc2ccccc2c1[C@@H](Br)c1cc(Br)sc1Br 235906025 KNALXFRIUJFUKL-HNNXBMFYSA-N 475.043 7.219 50 10 JKGE COc1ccccc1/C=C\C=NNC(=O)c1cc(-c2cccc(OCc3ccccc3)c2)n[nH]1 254488156 GAZJVMNGBFKMBL-NKNKYUCMSA-N 452.514 5.093 50 10 JKGE COc1cccc(C=NNC(=O)COc2c(C(C)C)cc(Br)c(C)c2Br)c1 254698189 RKBWURKTKQZGGT-UHFFFAOYSA-N 498.215 5.181 50 10 JKGE C[C@H](Cl)c1nc2cc(F)c(Br)cc2n1C[C@@H]1CCN(Cc2ccccc2)C1 312246416 DPQPSDFYXGRDPH-GOEBONIOSA-N 450.783 5.760 50 10 JKGE C[C@@H](Cl)c1nc2ccccc2n1-c1cc(Br)ccc1I 312284527 PYEUJLAOUCRGBY-SECBINFHSA-N 461.528 5.692 50 10 JKGE CCOc1ccc(N2Cc3ccc(C(=O)NN=Cc4ccc(Br)cc4)cc3C2)cc1 1083885911 QRFZESCTKZBMOC-UHFFFAOYSA-N 464.363 5.132 50 10 JKGE O=C(NN=Cc1ccc(OCc2cccc3ccccc23)cc1)c1ccc(Cl)c([N+](=O)[O-])c1 1083986960 RREBHVRYSLMZCS-UHFFFAOYSA-N 459.889 5.744 50 10 JKGE CCOc1cc(Br)c(/C=C(\C#N)C(=O)Nc2cccc(Cl)c2Cl)cc1OCC 1084125115 ZWGNSNJMOPUIGI-MDWZMJQESA-N 484.177 6.099 50 10 JKGE COc1ccc(C(=O)NN=Cc2ccccc2Oc2ccc(C(F)(F)F)cc2[N+](=O)[O-])cc1 1084184820 SDPGSWGECNOCHK-UHFFFAOYSA-N 459.380 5.178 50 10 JKGE COc1cc(/C=C(/C#N)C(=O)Nc2ccc(Cl)c(Cl)c2)ccc1OCc1ccc(C)cc1 1084223572 PMBFCKIICVZJRV-ODLFYWEKSA-N 467.352 6.435 50 10 JKGE CCc1ccccc1NC(=O)NN=Cc1cc(Br)c(Sc2ccc(Cl)cc2)o1 1084247186 HMSKEEDDJZCVLG-UHFFFAOYSA-N 478.799 6.565 50 10 JKGE C=CCc1cc(C=NNC(=O)c2cc3ccccc3o2)cc(OC)c1OCc1ccc(C(=O)O)cc1 1084579782 YTQVRJRMYVYGHX-UHFFFAOYSA-N 484.508 5.211 50 10 JKGE 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 1615811170 ILOHMDKQENYFEG-RERDGDBUSA-N 484.721 6.669 50 10 JKGE biogenic Cc1c(C(=O)Nc2cc(Cl)ccc2Cl)oc2c1C(=NNC(=O)c1ccc(Cl)cc1)CCC2 1772743441 APWODJBTHYOLQR-UHFFFAOYSA-N 490.774 6.271 50 10 JKGE Cc1c(C(=O)Nc2ccc(C(C)C)cc2)oc2c1C(=NNC(=O)c1ccc3ccccc3n1)CCC2 1772751761 YCTRTOUSFYUWJP-UHFFFAOYSA-N 480.568 5.982 50 10 JKGE CCCCOc1ccc([C@@H]2C(C#N)=C(N)Oc3c2c(CC)nn3-c2ccccc2Cl)cc1OCC 1865686907 DUKDWURBXAIXAW-XMMPIXPASA-N 493.007 5.884 50 10 JKGE N#CC1=C(N)Oc2c(c(-c3ccccc3)nn2-c2cccc3ccccc23)[C@H]1c1c[nH]c2ccccc12 1865699710 AOKVSDJEHBUZPI-HHHXNRCGSA-N 479.543 6.392 50 10 JKGE CCC[C@H](NC(=O)Cc1nc(-c2ccccc2Cl)oc1C)C(=O)Nc1ccc(SC#N)cc1 1866661184 PVZLALUTXYADSF-FQEVSTJZSA-N 482.993 5.343 50 10 JKGE CCCC[C@H](NC(=O)c1nc(CC(C)C)n2ccccc12)C(=O)Nc1ccc(SC#N)cc1 1866865234 PHPMQDLBVCXJPS-FQEVSTJZSA-N 463.607 5.033 50 10 JKGE CCc1nc(Nc2ccc(SC#N)cc2)cc(N2CCc3ccccc3[C@@H]2c2cccc(OC)c2)n1 1868277980 OIEFJACIGJVNKW-LJAQVGFWSA-N 493.636 6.516 50 10 JKGE CC(C)(C)c1nc(Nc2ccc(SC#N)cc2)cc(N2CCO[C@@H](c3cccc(Cl)c3)C2)n1 1868342029 IERBWTVTUXADJD-OAQYLSRUSA-N 480.037 6.322 50 10 JKGE CC(C)(C)c1nc(Nc2ccc(SC#N)cc2)cc(N2CCC[C@H]2Cc2ccc(Cl)cc2)n1 1868342576 WTZZOSCAWHZOSX-NRFANRHFSA-N 478.065 6.956 50 10 JKGE COc1cc(/C=C(\C#N)n2cnc3ccccc32)ccc1OCC(=O)Nc1ccc(C)cc1C 1872727421 ZUQJDQDCAUUZBN-FYJGNVAPSA-N 452.514 5.201 50 10 JKGE N#C/C(=C(/O)c1ccc(N2C(=O)c3ccccc3C2=O)cc1)c1nc(-c2ccccc2Cl)cs1 1872746788 YEYAQEFYYZNZAD-ATJXCDBQSA-N 483.936 6.214 50 10 JKGE COc1ccc(-c2csc(/C(C#N)=C(\O)Cc3ccc(Cl)c(Cl)c3)n2)cc1Cl 1872755999 PXFAKYXCOMZRJU-AQTBWJFISA-N 451.762 6.814 50 10 JKGE COc1ccc(-c2csc(/C(C#N)=C/c3cc(Br)c(O)c(OC)c3)n2)cc1C 1872781158 WXOQDEZZCKPBHT-VIZOYTHASA-N 457.349 5.668 50 10 JKGE Cc1ccc(COc2ccc(/C=N/NC(=O)CCCCCNC(=O)OC(C)(C)C)cc2)cc1 1873792468 DLSIVAINUBOZEP-MTDXEUNCSA-N 453.583 5.109 50 10 JKGE Brc1cc(Br)c([C@H](Br)[C@@]23CCCC[C@H]2OCC3)s1 1922895740 YRHSAMNMYNKLLD-JIMOISOXSA-N 459.041 6.058 50 10 JKGE FC1(F)[C@H]([C@@H](Br)c2sc(Br)cc2Br)C12CCCC2 1922905971 FDWMXYVPQJMVGV-WCBMZHEXSA-N 464.995 6.535 50 10 JKGE CC(C)(C)O[C@H]1C[C@@H]([C@@H](Br)c2sc(Br)cc2Br)C1 1922911471 CNLLNLKVUQQWDV-VHSKPIJISA-N 461.057 6.303 50 10 JKGE CC[C@H]1CC[C@H]([C@H](Br)c2c(Br)sc(Br)c2Cl)CC1 1923048606 HTWQGTPNABWMEL-NRPADANISA-N 479.503 7.579 50 10 JKGE COC[C@]1([C@@H](Br)c2c(Br)sc(Br)c2Cl)CCCO1 1923067461 CUQHRYFMIVGMKJ-KWQFWETISA-N 483.447 5.558 50 10 JKGE Clc1c(Br)sc(Br)c1[C@@H](Br)c1ccc2c(c1)CCC2 1923068473 RYUDBXUPRZJIHD-NSHDSACASA-N 485.466 6.900 50 10 JKGE Cc1cc(Br)c([C@H](Cl)c2csnc2Br)cc1Br 1925238277 BIUTWNKFWNYIQM-JTQLQIEISA-N 460.416 6.067 50 10 JKGE Clc1ccc(Br)c([C@H](Br)c2c(Cl)sc(Cl)c2Cl)c1 1925588247 OAQPDZSKONLTMI-QMMMGPOBSA-N 469.840 7.609 50 10 JKGE CCc1cc(Br)c([C@@H](Br)c2ccc(Cl)c(Br)c2)s1 2029231996 BUCIFNFEGSMCSQ-LBPRGKRZSA-N 473.455 6.973 50 10 JKGE Brc1cc([C@@H](Br)c2csc(I)c2)cc2c1OCC2 2030022926 VTTMWFBYDAWSGL-GFCCVEGCSA-N 499.993 5.534 50 10 JKGE CC(C)(C)C[C@@H](Br)CNC(=O)c1csc(Br)c1Br 2032953418 IVJVFUDYRUVNAJ-SSDOTTSWSA-N 462.045 5.203 50 10 JKGE C[C@]1(C(F)(F)F)C[C@@H]1[C@H](Cl)c1c(Br)sc(Br)c1Br 2043569163 HBOZYQNFUWMUAZ-PHTXQJRJSA-N 491.392 6.904 50 10 JKGE Clc1c(Br)ccc(CBr)c1N1C[C@H]2CCN(Cc3ccccc3)[C@H]2C1 2068561142 FHQURBOAGDDLSF-AEFFLSMTSA-N 484.663 5.708 50 10 JKGE Cc1c(Br)sc([C@H](Br)[C@@H]2C[C@]23CCCOC3)c1Br 2077422492 IABGZYSHQBPMMG-PLMOITTCSA-N 459.041 5.834 50 10 JKGE COc1c(Cl)cc(Br)cc1[C@H](Br)c1cc(Br)cs1 2082857252 SJKMNOLKDPLCDV-NSHDSACASA-N 475.427 6.419 50 10 JKGE Clc1ccc(C[C@H](CBr)c2ccccc2Br)c(Br)c1 2088514353 JVLAZKADBRWNGG-LLVKDONJSA-N 467.426 6.586 50 10 JKGE BrC[C@H]1CCC2(CCC2)CN1c1ncc(Br)cc1Br 2095708752 UCWGIGZYWMDCDV-LLVKDONJSA-N 453.016 5.141 50 10 JKGE Brc1cc([C@H](Br)c2ccc3c(c2)COCC3)sc1Br 2096423783 VEIGGPMPEBCKOS-CYBMUJFWSA-N 467.020 5.830 50 10 JKGE Clc1ccc(C[C@H](CBr)c2cccc(Br)c2)cc1Br 2110527100 WQJVWHSGXUSBRJ-GFCCVEGCSA-N 467.426 6.586 50 10 JKGE Cc1cc(Br)c([C@H](Br)[C@H]2CCCCC23CC3)cc1Br 2116986182 DMWXDGDAPGFRPK-DOMZBBRYSA-N 451.040 6.926 50 10 JKGE CC1(C)CC[C@@H](Br)[C@@H](Cc2cc(Cl)ccc2I)CC1 2122940825 HHHRQUVXKYOPLX-BXUZGUMPSA-N 455.605 6.467 50 10 JKGE Cc1cc(F)c(F)cc1[C@H](Cl)c1ccc(I)c(Br)c1 2139626875 FCPGGRNMSYYNSH-CQSZACIVSA-N 457.483 5.969 50 10 JKGE COc1ccc(C)cc1[C@H](Br)c1ccc(Br)cc1I 2142287488 NBEAMGPITINJMY-OAHLLOKOSA-N 495.980 5.855 50 10 JKGE CC(C)(C)[C@@H]1CC[C@@H](Br)[C@H](Cc2ccc(Br)cc2Br)C1 2148685245 MJNJTPMWWOYLRQ-UMVBOHGHSA-N 467.083 6.980 50 10 JKGE O=C(c1cc(Br)c(Br)s1)N1CC2(CCC2)CC[C@H]1CBr 2152058214 WPFWRPZBVRQEBM-VIFPVBQESA-N 486.067 5.443 50 10 JKGE C[C@H](Cl)c1nc2cc(Br)c(Cl)cc2n1C[C@@H]1CCCN1Cc1ccccc1 2160079603 QWDPGJJUKVVNON-HOCLYGCPSA-N 467.238 6.417 50 10 JKGE ClCc1nc2cc(Cl)c(Br)cc2n1[C@H]1CCOC[C@@H]1OCc1ccccc1 2169012065 SSYGNISPCNCDGQ-HKUYNNGSSA-N 470.194 5.738 50 10 JKGE CN(C(=O)c1ccc(Br)cc1Br)C1CCC(CBr)CC1 2171112919 WTXLUHCDIKSFHT-UHFFFAOYSA-N 468.027 5.237 50 10 JKGE CC(C)(C)OC(=O)N[C@H](C[S@](C)(=O)=NCc1ccc(CBr)cc1)C(C)(C)C 2182855326 PMQFBEAFBHTIQD-CRYYWNKWSA-N 461.466 5.119 50 10 JKGE Cc1cc(Br)c([C@H](Br)C2CC3(C2)CC32CCC2)cc1Br 2183920524 QMLJXOMFVKDXCG-GMQFJONSSA-N 463.051 6.926 50 10 JKGE FC1(F)C[C@H](n2c(CCl)nc3cccc(Br)c32)CN(Cc2ccccc2)C1 2184259538 ABDJMIXKWGGPLI-HNNXBMFYSA-N 454.746 5.620 50 10 JKGE CC1(C)CCCN(C(=O)c2cccc(Br)c2Br)[C@@H]1CBr 2185819013 IKHCKNCCVRMABZ-GFCCVEGCSA-N 468.027 5.237 50 10 JKGE COc1cc2c(cc1Br)nc(CCCl)n2C[C@H](C)N(C)Cc1ccccc1 2202309232 ODMMLMDBUNDOBP-HNNXBMFYSA-N 450.808 5.109 50 10 JKGE Cc1c(Br)ccc([C@H](Br)c2cc3c(ncn3C)s2)c1Br 2203703777 KKKCREJDBCNAMZ-ZDUSSCGKSA-N 479.035 5.953 50 10 JKGE O=C(c1cc(Br)ccc1I)N1CCCC[C@@H]1CCCCl 2206693331 MMKFPQLNNPOXHY-GFCCVEGCSA-N 470.576 5.067 50 10 JKGE CCOc1ccc([C@@H](Cl)c2ccc(I)c(C)c2)cc1Br 2207105058 TUZTTYGMBGRMCP-INIZCTEOSA-N 465.556 6.089 50 10 JKGE CS(=O)(=O)C1([C@H](Br)c2c(Br)cc(Cl)c(Cl)c2Cl)CC1 2224303762 BIDODZFOWSKPMF-SNVBAGLBSA-N 471.425 5.423 50 10 JKGE CCOCc1cc(Br)c([C@@H](Br)Cc2ccccc2Br)s1 2233033173 YKJZTDRNORFJBB-ZDUSSCGKSA-N 483.063 6.488 50 10 JKGE Cc1cc(Br)c([C@@H](Br)[C@@]23CC[C@@H](C2)[C@@H](C)O3)c(C)c1Br 2235612225 NAFKORIXUJUOJU-OXUXUCFPSA-N 467.039 6.222 50 10 JKGE FC(F)(F)Oc1ccc(Cl)cc1[C@@H](Br)c1cscc1Br 2239618660 SRPYQZJKISYWCH-LLVKDONJSA-N 450.501 6.547 50 10 JKGE CC(C)(C)OC(=O)NCc1ccc(Cl)cc1NC(=O)c1ccc(CBr)cc1 2284029007 AINPVPSCEZLBAK-UHFFFAOYSA-N 453.764 5.512 50 10 JKGE COc1ccc([C@H](Br)[C@@H]2[C@H]3CCCC(F)(F)[C@@H]32)cc1I 2285004886 UWIGWGUUGUNVNV-QQUHWDOBSA-N 457.096 5.417 50 10 JKGE COc1ccc([C@H](Cl)c2cc(C)c(Br)c(C)c2)cc1I 2285014288 VIKCGEUHKCIUHV-INIZCTEOSA-N 465.556 6.007 50 10 JKGE Cc1cc(F)c(Br)cc1[C@H](Br)c1ccc(C)c(Br)c1C 2285938887 HYIDSCWGTUFHNK-MRXNPFEDSA-N 464.998 6.760 50 10 JKGE COC1([C@H](Br)c2c(F)cc(Br)c(F)c2Br)CC(CF)C1 2288354808 OEZLKPGLPOSRKN-SKPUXYCPSA-N 480.944 5.691 50 10 JKGE CCCCOc1ccc(C=C(C#N)C(=O)Nc2ncc(Cc3ccc(Cl)cc3)s2)cc1OC 2293038695 USLRKBDVRLCLIE-UHFFFAOYSA-N 482.005 6.120 50 10 JKGE COc1ccc(OC)c(NC(=O)C(C#N)=Cc2cn(Cc3ccc(Cl)cc3)nc2-c2ccccc2)c1 2295347954 XLWCWHNPZFMPLG-UHFFFAOYSA-N 498.970 5.815 50 10 JKGE COc1c(Br)cc(Cl)cc1[C@@H](Br)c1c(Br)nn(C)c1C 2295367460 KKKQHDSKXMCRAP-LLVKDONJSA-N 487.417 5.400 50 10 JKGE CCOC(=O)c1c(-c2ccc(OC)cc2)csc1NC(=O)C(C#N)=Cc1ccc(OC)c(OC)c1 2296500341 ISQNNUZPIXNZBZ-UHFFFAOYSA-N 492.553 5.163 50 10 JKGE FC1(F)CC[C@@H]1C[C@@H](Br)c1cc(Br)ccc1OCc1ccccc1 2299530530 MVWDEGXMPHJXJM-RHSMWYFYSA-N 460.156 6.900 50 10 JKGE Brc1ccc(OCc2ccccc2)c([C@H](Br)[C@H]2CC3(CC3)CO2)c1 2299535179 MAQWKXLVQVOVFV-MOPGFXCFSA-N 452.186 6.033 50 10 JKGE COc1cc([C@@H](Br)c2cc(Br)c(Br)s2)sc1Cl 2301931873 YUOZQFQPJULCRM-QMMMGPOBSA-N 481.456 6.481 50 10 JKGE COc1ccc(NC(=O)C(C#N)=Cc2ccc(OC(=O)c3ccc(Cl)cc3Cl)cc2)cc1 2313667935 YYKHXCUAUOAQRO-UHFFFAOYSA-N 467.308 5.767 50 10 JKGE CCOc1ccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)C=Cc4ccccc4)ccc32)cc1OCC 2314634382 KNQIQBUVXYZSNW-NDEPHWFRSA-N 482.536 5.321 50 10 JKGE CC1(C)C[C@]1(Cl)[C@@H](Br)c1c(Cl)cc(Br)c(F)c1Br 2315450574 FKEXPARXUNGXMP-JQWIXIFHSA-N 483.828 6.848 50 10 JKGE COc1ccc(C(C#N)=Cc2cccc(OC(=O)c3ccc(Cl)c(Cl)c3)c2)cc1OC 2320511173 MTEPRWZLJKLWDE-UHFFFAOYSA-N 454.309 6.294 50 10 JKGE C[C@@H](Oc1ccc(Cl)cc1Br)C(O)=C(C#N)c1nc(-c2ccc(F)cc2F)cs1 2331292860 PHQAGSBHXBYMRJ-SNVBAGLBSA-N 497.748 6.764 50 10 JKGE Cc1cc(-c2csc(C(C#N)=C(O)c3ccc4c(c3)C(=O)N(Cc3ccccn3)C4=O)n2)ccc1F 2331320355 COBIJNHGPRSCSC-UHFFFAOYSA-N 496.523 5.399 50 10 JKGE COc1cc(C=CC(O)=C(C#N)c2nc(-c3cccc4ccccc34)cs2)ccc1OC(C)=O 2331339278 UVHADMOSWYRZHM-UHFFFAOYSA-N 468.534 6.403 50 10 JKGE Cc1cc(C)c(C)c(-c2csc(C(C#N)=C(O)CN3C(=O)c4cccc([N+](=O)[O-])c4C3=O)n2)c1C 2331366393 UDUOVBKPMITDCA-UHFFFAOYSA-N 488.525 5.041 50 10 JKGE COc1cc(-c2csc(C(C#N)=C(O)c3ccc(Cl)c([N+](=O)[O-])c3)n2)c(OC)cc1Cl 2331377322 JYIOVNXSOGYMSD-UHFFFAOYSA-N 478.313 5.992 50 10 JKGE CCc1cccc(CC)c1N1C[C@H](C(O)=C(C#N)c2nc(-c3ccc(C)c(C)c3)cs2)CC1=O 2331382686 UZEWLCFNBNHYGY-JOCHJYFZSA-N 471.626 6.398 50 10 JKGE N#CC(=C(O)c1ccc(N2CCCC2)c([N+](=O)[O-])c1)c1nc(-c2cc(Cl)ccc2Cl)cs1 2331405480 LSZWKORFUBLNCZ-UHFFFAOYSA-N 487.368 6.575 50 10 JKGE COc1ccc(-c2csc(C(C#N)=C(O)COc3ccc(Cl)c(C)c3)n2)c2ccccc12 2331406366 DIDDUIPFRCSOAT-UHFFFAOYSA-N 462.958 6.805 50 10 JKGE CCCCc1ccc(-c2csc(C(C#N)=Cc3ccc(OC(=O)c4ccccc4)c(OC)c3)n2)cc1 2331430199 UGLQFDZQSCUGBE-UHFFFAOYSA-N 494.616 7.445 50 10 JKGE COc1cc(C=C(C#N)c2nc(-c3cc(C)ccc3OC)cs2)ccc1OCc1ccccc1 2331448892 LYSQYEAUAPMFTL-UHFFFAOYSA-N 468.578 6.779 50 10 JKGE COc1cc(C=C(C#N)c2nc(-c3ccc(F)cc3)cs2)ccc1OC(=O)c1ccccc1 2331459141 RFPNJRZHRCJOCN-UHFFFAOYSA-N 456.498 6.241 50 10 JKGE CCCN(CCC)C(=O)COc1ccc(C=C(C#N)c2nc(-c3ccc(F)cc3)cs2)cc1OC 2331459650 FVIXGQIDAXFULX-UHFFFAOYSA-N 493.604 6.049 50 10 JKGE COc1cc(OC)c(-c2csc(C(C#N)=Cc3ccc(Cl)cc3Cl)n2)cc1Cl 2331471843 LZSLWPDGFKCRBI-UHFFFAOYSA-N 451.762 6.852 50 10 JKGE CCCCOc1ccc(C=C(C#N)c2nc(-c3ccc(OC)c(OC)c3OC)cs2)cc1OCC 2331491417 DVDSWRHLPVDJAM-UHFFFAOYSA-N 494.613 6.478 50 10 JKGE COc1ccc([C@H](Br)c2cc(Br)ccc2OCc2ccccc2)cc1C 2336054759 UUXRGTBRDUPRNO-QFIPXVFZSA-N 476.208 6.829 50 10 JKGE COc1c(Br)cc(C)c([C@@H](Br)C[C@H]2CC2(C)C)c1Br 2339640483 ZBECKKLIPMAMJJ-UWVGGRQHSA-N 455.028 6.401 50 10 JKGE Cc1cc(Br)c(F)c(Br)c1[C@H](Br)CC(F)(F)C(F)F 2339652986 DXEGTYULQLFQHT-ZCFIWIBFSA-N 474.887 6.386 50 10 JKGE Cc1cc(Br)c(F)c(Br)c1[C@H](Br)C[C@H]1CCO[C@H]1C 2339656241 LXJLOLUUODFMOK-IVZWLZJFSA-N 458.991 5.910 50 10 JKGE Cc1cc(Br)c(F)c(Br)c1[C@H](Br)[C@@H]1CCCC[C@@H]1C 2339680159 TYMSHWRJGYSWGX-IYYTYJHQSA-N 457.019 6.921 50 10 JKGE ClCc1ccc(OCc2c(Br)cccc2Br)cc1Br 2340639384 YGRKPTLZTOZQGV-UHFFFAOYSA-N 469.398 6.292 50 10 JKGE C[C@@H]1CCC[C@@](CBr)(OCc2cc(I)ccc2Cl)C1 2352253670 NJJDCXXBHYNCOI-IAQYHMDHSA-N 457.577 5.805 50 10 JKGE CCc1cc(Br)c(OC)c([C@@H](Br)c2cscc2OCc2ccccc2)c1 2353045852 XUSDEZXTEWBXAQ-HXUWFJFHSA-N 496.264 7.145 50 10 JKGE FC(F)(F)c1ccc(C(F)(F)F)c(CC[C@H](Br)COCc2ccccc2)c1 2362126821 CHNSYFUGUWHXFQ-INIZCTEOSA-N 455.236 6.637 50 10 JKGE C[C@@H]1CC2CC([C@@H](Br)c3c(Br)cc(Cl)c(Cl)c3Cl)(C2)O1 2368039875 OICHCIKHOOYNPY-QJSBWAJCSA-N 463.424 6.803 50 10 JKGE CC(C)(C)OC(=O)NC[C@@H]1CC[S@@](=O)(=NC[C@@](C)(CBr)C(C)(C)C)C1(C)C 2380168657 OIGOOEPGCSQMKX-GVAPNCHASA-N 467.514 5.225 50 10 JKGE CC(C)(C)Oc1ccc([C@@H](Br)c2ccc(Br)s2)cc1Br 2381324835 YHCFLXRUUXXLEE-CQSZACIVSA-N 483.063 6.935 50 10 JKGE Cc1c(Cl)cccc1N(C(=O)CCl)[C@@H](C(=O)NC1CCCCC1)c1ccccc1F 3033995 QIQARPIQPNOYCQ-JOCHJYFZSA-N 451.369 5.550 50 10 JKGE Cc1ccccc1/C=N/NC(=O)COc1ccc2cc(Br)ccc2c1Br 12491334 DUHLYPZUQYEMGA-FOKLQQMPSA-N 476.168 5.202 50 10 JKGE N#C/C(=C/c1cccc(OC(=O)CCCOc2ccc(Cl)cc2Cl)c1)c1ccccc1 31902627 ZOROHSSMHULSJR-ZHZULCJRSA-N 452.337 6.822 50 10 JKGE Cc1cc(/C=C(/C#N)C(=O)OCC(=O)NC(c2ccccc2)c2ccccc2)c(C)n1CCC(C)C 33433389 SXKAQEFUEBJZNZ-IMRQLAEWSA-N 483.612 5.507 50 10 JKGE C/C(=N/NC(=O)c1ccc(COc2ccccc2-c2ccccc2)cc1)c1cccc([N+](=O)[O-])c1 34836770 RFXGSTQTSWSROU-BRPDVVIDSA-N 465.509 5.995 50 10 JKGE COc1cc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4ccccc4)ccc32)ccc1OCCC(C)C 38660313 YOUXKDSEBMDTBX-HHHXNRCGSA-N 484.552 5.557 50 10 JKGE CCCCC1CCC(C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@@H]3c2c(Cl)cccc2Cl)CC1 38700578 NDUQXHJSLRMRCP-XSVIMGFGSA-N 499.438 7.114 50 10 JKGE Cc1ccc2[nH]c(-c3ccccn3)c(CCCC(=O)NN(c3ccccc3)c3ccccc3)c2c1 39852519 FQKSSKNIMVFRJD-UHFFFAOYSA-N 460.581 6.731 50 10 JKGE Cc1c(C(=O)Nc2cc(C(F)(F)F)ccc2Cl)oc2c1/C(=N/NC(=O)c1ccccc1)CCC2 40804024 GVAPSEPUOLORBK-OCSSWDANSA-N 489.881 5.983 50 10 JKGE CCCCCCOc1ccc(/C=C(\C#N)C(=O)Nc2nc(C)c(C(=O)OCC)s2)cc1OC 40853658 OZIFGMYUYSNHJF-QGOAFFKASA-N 471.579 5.142 50 10 JKGE CCCOc1ccccc1/C=C(\C#N)C(=O)Nc1nc(-c2ccc(Br)cc2)c(C)s1 41018305 WEZFNSXXMQRMNW-QGOAFFKASA-N 482.403 6.216 50 10 JKGE N#C/C(=C/c1ccc(OCc2ccccc2Cl)cc1)C(=O)Nc1cc(Cl)ccc1Cl 59117374 CIIMEWZIHXVFEN-BOPFTXTBSA-N 457.744 6.771 50 10 JKGE O=C(N/N=C(/CSc1nc2ccccc2s1)c1cccc(Br)c1)c1cccnc1 59460762 BSEJPCGOUHXIBL-BWAHOGKJSA-N 483.416 5.380 50 10 JKGE Cc1ccc(-c2ccccc2)n1-c1ccc(C(=O)N/N=C/c2cccc(Oc3ccccc3)c2)cc1 59680407 AUJFCUBLXYZVHL-WEMUVCOSSA-N 471.560 7.009 50 10 JKGE Fc1ccc(C[C@@H](CBr)Cc2ccc(Br)cc2)c(Br)c1 97183128 VSPJVWKSIABZCE-LBPRGKRZSA-N 464.998 6.147 50 10 JKGE CCCC[C@H](CC)CN(C(=O)CCl)[C@H](C(=O)N[C@@H]1CCCC[C@@H]1C)c1ccccc1Cl 97914418 FANIMXBJLZMKOI-ZFMISHDWSA-N 469.497 6.360 50 10 JKGE COc1ccc(/C=C\C(=O)Oc2ccc(/C=C(\C#N)c3ccc(Cl)cc3)cc2OC)c(OC)c1 98027917 MCMJACROGWKPHT-ZAZPOUCXSA-N 475.928 6.049 50 10 JKGE C=CCOC(=O)c1sc(N/C=C(\C#N)c2nc(-c3ccc(C)cc3)cs2)c(C(=O)OCC)c1C 102924611 RGSCSXLYQCROFH-QGOAFFKASA-N 493.610 5.985 50 10 JKGE COc1cc(/C=C(/C#N)C(=O)NCc2ccccc2)ccc1OC(=O)/C(C#N)=C/c1ccc(Cl)cc1 103762276 ROKBJSYQKCNHMS-PRNVYGQNSA-N 497.938 5.085 50 10 JKGE Clc1cc(Br)ccc1[C@@H](Cl)c1csc2c(Br)cccc12 163478361 YIDLPINWLHMYJE-CQSZACIVSA-N 451.010 7.408 50 10 JKGE O=C(N/N=C/c1ccc(Cl)cc1Cl)c1cc(-c2ccccc2)nc(N2CCCCC2)n1 169927500 HRNJMKZGXCBWDP-CVKSISIWSA-N 454.361 5.205 50 10 JKGE CCCCN1C(=O)C(C#N)=C(C)/C(=C/c2cn(-c3ccccc3)nc2-c2ccc(OC)c(F)c2)C1=O 214225226 FVORNXPCHYPTCF-HMAPJEAMSA-N 484.531 5.079 50 10 JKGE Cc1ccc2nc(-c3ccc(N/C=C(/C#N)C(=O)Nc4ccc(C(C)C)cc4)cc3)sc2c1 216986245 ZQWZCHDCHXABJT-PGMHBOJBSA-N 452.583 6.853 50 10 JKGE Cc1c(Br)cccc1[C@H](Br)c1cc(Br)cc2c1OCC2 228444070 FEGNGNWBBJTMEH-HNNXBMFYSA-N 460.991 5.939 50 10 JKGE COCCOc1ccc([C@@H](Br)c2ccc(Br)o2)cc1Br 229016397 QXVOLQDRIRVLAK-CQSZACIVSA-N 468.967 5.314 50 10 JKGE Fc1cc(F)cc(COc2c(Br)cc(CBr)cc2Br)c1 236283828 AMRTTZIJYZIEDW-UHFFFAOYSA-N 470.933 5.964 50 10 JKGE CCCOc1ccc(C=NNC(=O)c2ccc(COc3ccccc3-c3ccccc3)cc2)c(O)c1 254398831 FDLGCIDOOHXMPH-UHFFFAOYSA-N 480.564 6.191 50 10 JKGE Cc1nn(-c2ccccc2)c(N2CCCC2)c1C=NNC(=O)c1cc(C)n(-c2ccc(F)cc2)c1C 254841956 WSKVGCQXDFFERF-UHFFFAOYSA-N 484.579 5.091 50 10 JKGE Clc1sc([C@H](Br)c2cccc(OCc3ccccc3)c2)cc1Br 309981872 VISCOJARVCBYRP-QGZVFWFLSA-N 472.629 7.227 50 10 JKGE ClCc1nc2cc(Cl)cnc2n1-c1ccc(I)cc1Br 312274033 ODEYGHSLFIVSOJ-UHFFFAOYSA-N 482.934 5.180 50 10 JKGE ClCc1nc2cncc(Cl)c2n1-c1ccc(I)c(Br)c1 380075537 ZCCXDXFWCYSIIV-UHFFFAOYSA-N 482.934 5.180 50 10 JKGE O=C(OCc1ccccc1)N1C[C@H](CBr)[C@H](c2ccc(Br)cc2F)C1 382703167 QEHFRYUNRKJYFP-WMLDXEAASA-N 471.164 5.335 50 10 JKGE C[C@H]1CN(c2ccc(Br)cc2CBr)[C@H](C)[C@@H](C)N1Cc1ccccc1 404260319 DAKOCTIBKWADTP-GVDBMIGSSA-N 466.261 5.832 50 10 JKGE O=C(NC1(CCBr)CCCCC1)c1ccc(I)c(Cl)c1 687326825 MBBIXIAHGCGTGP-UHFFFAOYSA-N 470.576 5.162 50 10 JKGE Cl[C@H](c1cc(Br)cc2c1OCCC2)c1sccc1I 688403618 FGZAJFSTCTZTPN-GFCCVEGCSA-N 469.569 5.768 50 10 JKGE C[C@@H]1[C@H](n2c(CCCl)nc3ccc(F)c(Br)c32)CCN1Cc1ccccc1 701617193 IFDHLKLYXSYXFV-RDTXWAMCSA-N 450.783 5.555 50 10 JKGE Cl[C@H](c1sccc1Br)c1scc(Br)c1Br 705408490 IMPIIIDCMJPCGZ-SSDOTTSWSA-N 451.430 6.425 50 10 JKGE C[C@]12CN(Cc3ccccc3)C[C@]1(C)CN(c1ccc(CBr)c(Br)c1)C2 705955834 PWUSUNILHFKNPE-FGZHOGPDSA-N 478.272 5.692 50 10 JKGE Fc1cc(Br)ccc1COc1c(F)cc(Br)cc1CBr 715825664 FAOVOMYEHZHWAU-UHFFFAOYSA-N 470.933 5.964 50 10 JKGE CCOc1ccc(C(=O)NN=Cc2cc(Br)c(OCc3ccccc3)c(OCC)c2)cc1 1083981421 BFLYHOOZBOPQTA-UHFFFAOYSA-N 497.389 5.589 50 10 JKGE CC(C)Oc1ccc(Br)cc1/C=C(/C#N)C(=O)Nc1ccc(Cl)c(Cl)c1 1084105924 ORXAJWRDJDFODR-QPEQYQDCSA-N 454.151 6.089 50 10 JKGE Cc1ccc(NC(=O)/C(C#N)=C\c2ccc(OCc3ccc(Br)cc3)cc2)c(C)c1 1084234885 ZEHHMWKPRLCFPO-STZFKDTASA-N 461.359 6.191 50 10 JKGE O=C(NN=Cc1c(OCc2ccc(Cl)cc2)ccc2ccccc12)c1ccccc1Br 1084303333 QVYJRCTYOMSDCX-UHFFFAOYSA-N 493.788 6.599 50 10 JKGE C[C@@]12CC[C@@H]3c4ccc(O)cc4CC[C@H]3[C@@H]1CCC2=NNC(=O)C(O)(c1ccccc1)c1ccccc1 1084320327 MYCPNYBYHGFOKA-FATKCUQPSA-N 494.635 5.657 50 10 JKGE O=C(CC[C@@H](O)c1ccccc1)NN=Cc1ccccc1OCc1ccc(Cl)c(Cl)c1 1084380232 HHEKDQBOKGAKAA-JOCHJYFZSA-N 457.357 5.536 50 10 JKGE O=C(NN=C(CSc1nc2ccccc2s1)c1cccc(Br)c1)c1cccnc1 1084400556 BSEJPCGOUHXIBL-UHFFFAOYSA-N 483.416 5.380 50 10 JKGE O=C(COc1ccc(C=NNC(=O)C(c2ccccc2)c2ccccc2)cc1)Nc1ccc(F)cc1 1084408141 HYVHKSXTGFDGPB-UHFFFAOYSA-N 481.527 5.125 50 10 JKGE CC(=NNC(=O)c1ccc(CSc2ccccc2)cc1)c1ccc(NC(=O)c2ccccc2)cc1 1084459281 WAXVYHLPEXFWDG-UHFFFAOYSA-N 479.605 6.385 50 10 JKGE Cc1ccc(C(=O)O)cc1-c1ccc(C=NNC(=O)c2cc3cc(Br)ccc3o2)o1 1084521175 HIAIRKPSDRIWDW-UHFFFAOYSA-N 467.275 5.226 50 10 JKGE CN(C)c1ccc([C@H]2C(C#N)=C3Sc4ccccc4N3C(N)=C2C(=O)c2ccccc2)cc1 1088719427 GOPNRDHWEBQZII-QHCPKHFHSA-N 450.567 5.250 50 10 JKGE FC(F)(F)c1ccc(-n2nc(-c3ccc(I)cc3)cc2CCl)cc1 1614816924 DQEORXCFQLHINV-UHFFFAOYSA-N 462.640 5.902 50 10 JKGE Cc1ccc(C(C)C)c(OC(=O)c2oc3c(c2C)C(=NNC(=O)c2cccc(Cl)c2)CCC3)c1 1772747636 KEJAHKIYNXDCEZ-UHFFFAOYSA-N 478.976 6.363 50 10 JKGE N#CSc1ccc(NC(=O)c2cc(CCc3ccccc3)n(-c3cccc(Cl)c3)n2)cc1 1862326208 BJKBHMOIXPOBQH-UHFFFAOYSA-N 458.974 6.136 50 10 JKGE COc1ccc([C@@H]2C(C#N)=C(N)Oc3c2c(-c2ccccc2)nn3-c2ccc(Cl)cc2)cc1O 1865682358 MUGGZCQOAYPDKF-JOCHJYFZSA-N 470.916 5.125 50 10 JKGE COc1ccc(-c2nn(-c3ccccc3Cl)c3c2[C@@H](c2ccccc2F)C(C#N)=C(N)O3)cc1 1865683955 RFJZAFMAHHJPJS-QFIPXVFZSA-N 472.907 5.559 50 10 JKGE COc1ccc(-c2nn(-c3ccccc3Cl)c3c2[C@H](c2ccc(C)cc2)C(C#N)=C(N)O3)cc1 1865684934 BAQABLMEHNUYHC-HSZRJFAPSA-N 468.944 5.728 50 10 JKGE COc1ccc(-c2nn(-c3ccc(C)cc3)c3c2[C@H](c2c(F)cccc2Cl)C(C#N)=C(N)O3)cc1 1865685065 DMGZUJJHHZZYMB-QFIPXVFZSA-N 486.934 5.867 50 10 JKGE CCCc1nn(-c2ccccn2)c2c1[C@H](c1ccc(OCc3ccccc3)c(OC)c1)C(C#N)=C(N)O2 1865687600 VQOZAKSIOWKMCA-AREMUKBSSA-N 493.567 5.026 50 10 JKGE COc1ccc(-c2nn(-c3ccccc3Cl)c3c2[C@@H](c2ccccc2O)C(C#N)=C(N)O3)cc1 1865708237 RDSVYBQLBXLLJZ-QFIPXVFZSA-N 470.916 5.125 50 10 JKGE C[C@H](CC(=O)N[C@H](Cc1ccc(O)cc1)C(=O)Nc1ccc(SC#N)cc1)c1cccc(Cl)c1 1867173309 BVVBFSAZXCPERF-MZNJEOGPSA-N 494.016 5.479 50 10 JKGE CC(C)c1nc(Nc2ccc(SC#N)cc2)cc(N2CC[C@H](c3ccc4c(c3)OCO4)C2)n1 1868231551 KHHRKKXKTPXHGB-SFHVURJKSA-N 459.575 5.639 50 10 JKGE CCc1ccc([C@H]2CN(c3cc(Nc4ccc(SC#N)cc4)nc(C(C)(C)C)n3)CCO2)cc1 1868342017 HSGRFLOAEGOKSM-HSZRJFAPSA-N 473.646 6.231 50 10 JKGE N#CSc1ccc(Nc2cc(N3CCC[C@@H](CO)C3)nc(-c3ccc(Cl)cc3)n2)cc1 1868433572 NVGLEFRMGPPSPI-MRXNPFEDSA-N 451.983 5.322 50 10 JKGE N#C/C(=C(O)\C=C\c1ccc(Cl)cc1Cl)c1nc(-c2ccc(Cl)cc2Cl)cs1 1872744956 QSPYCKIVEKWDBA-PHCAUUPXSA-N 468.192 7.930 50 10 JKGE CCc1ccc(OCCC/C(O)=C(\C#N)c2nc(-c3ccc(OC)c(OC)c3)cs2)cc1 1872745177 DAGOFJMBMNIJCH-XDOYNYLZSA-N 450.560 6.042 50 10 JKGE CC[C@@H](C)[C@H](/C(O)=C(\C#N)c1nc(-c2c(C)c(C)cc(C)c2C)cs1)N1C(=O)c2ccccc2C1=O 1872754550 YHMFVXVYKXNGQB-MAHAVJSDSA-N 499.636 6.547 50 10 JKGE COc1cc(C)c(-c2csc(/C(C#N)=C/c3ccc(OC(=O)c4ccccc4)cc3)n2)cc1C(C)C 1872792980 BIRZTRYZGKSNAP-HZHRSRAPSA-N 494.616 7.534 50 10 JKGE N#C/C(=C\c1ccc(OCc2ccc(Cl)cc2)cc1)c1nc(-c2cc(Cl)ccc2Cl)cs1 1872794974 GXNWLGLTLUDXIE-WOJGMQOQSA-N 497.834 8.413 50 10 JKGE CCN(c1cc(Br)ccc1CBr)[C@H]1CCN(Cc2ccccc2)C1 1915068272 VCVBSRQHIYQDSO-IBGZPJMESA-N 452.234 5.445 50 10 JKGE CC(C)[C@@H](CBr)N(Cc1ccccc1)C(=O)c1ccc(Br)cc1O 1915298968 ZFCNMJMGMKGTOU-QGZVFWFLSA-N 455.190 5.217 50 10 JKGE Cc1ccc(F)c([C@H](Cl)c2c(Br)sc(Br)c2Cl)c1F 1923066600 ROUIJIIJBVOAHN-QMMMGPOBSA-N 450.957 6.841 50 10 JKGE C[C@H](c1ccncc1Br)[C@@H](Br)c1csc(I)c1 1924024046 WPPJMMKLKNVWOC-JMCQJSRRSA-N 486.998 5.750 50 10 JKGE CC(C)(C)CC[C@H](Cl)c1c(Br)sc(Br)c1Br 1924580173 PMNUQBJIDBKIMI-LURJTMIESA-N 453.465 7.142 50 10 JKGE CC[C@H](C(C)C)[C@H](Cl)c1c(Br)sc(Br)c1Br 1924613904 LURQKDHKXWEWDC-MUWHJKNJSA-N 453.465 6.998 50 10 JKGE FC(F)(F)COCC[C@H](Br)c1c(Cl)sc(Br)c1Cl 1925588979 RDEVPOSRYNAQSS-BYPYZUCNSA-N 450.929 6.222 50 10 JKGE Clc1cc(Br)c([C@H](Br)c2cscc2OCc2ccccc2)s1 1934831351 KEFKTTPZWRZHMV-OAHLLOKOSA-N 478.658 7.289 50 10 JKGE CC(C)(C)OC(=O)N[C@H](CBr)[C@@H]1CN(Cc2ccccc2)C2(CCCCCC2)C1 1975074742 XOTXUASZZFODID-LEWJYISDSA-N 465.476 5.890 50 10 JKGE CC(C)C(F)(F)[C@H](Br)c1c(Br)sc(Br)c1Cl 1986773538 QZENGZLEAMTRCF-ZCFIWIBFSA-N 461.391 6.654 50 10 JKGE CC1(C)CO[C@H]([C@H](Cl)c2c(Br)sc(Br)c2Br)C1 2001533159 KNDGPUSUVQDGBF-XNCJUZBTSA-N 467.448 6.131 50 10 JKGE C[C@H](Br)C[C@H]1CCCN1C(=O)c1csc(Br)c1Br 2032953847 RGNAHEPCWJDKFE-JGVFFNPUSA-N 460.029 5.051 50 10 JKGE COCc1cc(Br)c([C@H](Br)c2scc(Cl)c2Cl)s1 2035095746 DKBAJLONWCMSHL-QMMMGPOBSA-N 451.032 6.510 50 10 JKGE CCc1nc([C@H](Cl)c2c(Cl)sc(Br)c2Cl)c(Br)s1 2050332224 XAWBQAGLGZSLHY-RXMQYKEDSA-N 470.466 6.927 50 10 JKGE Cc1nc([C@@H](Br)c2ccc(C)c(Br)c2C)c(Br)s1 2050336589 YGDVVTKLDOQEID-NSHDSACASA-N 454.025 6.078 50 10 JKGE CC(C)(C)OC(=O)N1CCC[C@](CI)(OC[C@H]2CC23CCCCC3)C1 2077648814 KHJILBHQJJRLGO-OXQOHEQNSA-N 463.400 5.178 50 10 JKGE Cc1cc2nc(CCCl)n(CCCN(Cc3ccccc3)Cc3ccccc3)c2cc1Cl 2085625222 NMTZOOCHQPYRQT-UHFFFAOYSA-N 466.456 6.872 50 10 JKGE BrCc1cc(Br)c(OCC2[C@@H]3CCCC[C@@H]23)c(Br)c1 2093714292 NZNBWBRQBHSGTD-GHMZBOCLSA-N 453.012 5.922 50 10 JKGE Fc1cc(F)c(F)c([C@H](Br)c2csc(Br)c2Br)c1F 2093948298 ZCGUXBCQSUNVSL-SSDOTTSWSA-N 482.916 6.314 50 10 JKGE Cc1cc(F)c([C@@H](Br)c2c(Br)cccc2Br)cc1F 2094090871 MBKWKVMQDXFSKH-CQSZACIVSA-N 454.934 6.283 50 10 JKGE Clc1c(Br)sc(Br)c1[C@H](Br)[C@H]1CCn2ccnc2C1 2108963241 TWLKXLFKXXARAS-IMTBSYHQSA-N 489.458 5.822 50 10 JKGE Clc1ccc(Br)cc1COc1cccc(CBr)c1Br 2110524427 RSOZJMQLVFORGB-UHFFFAOYSA-N 469.398 6.339 50 10 JKGE FC(F)(F)[C@@H]1CN(Cc2ccccc2)CCN1c1cc(Br)ccc1CBr 2130160073 REANKUDNNCWOPA-SFHVURJKSA-N 492.177 5.597 50 10 JKGE Cc1cc(Br)c(C)c([C@@H](Br)C23CC(CCO2)C3)c1Br 2136382874 VGIDLXJLRNDSOH-CIQACWJJSA-N 453.012 5.834 50 10 JKGE Cc1c(Br)ccc([C@H](Cl)c2cc(F)cc(Br)c2)c1Br 2138860663 FIJFRKPXBQFHOQ-CQSZACIVSA-N 471.389 6.750 50 10 JKGE Cc1c(Br)ccc([C@@H](Br)[C@H]2CCCC(C)(C)C2)c1Br 2138869574 BBWUTFFWNKYDGZ-NHYWBVRUSA-N 453.056 7.172 50 10 JKGE Cc1c(Br)c(C[C@H](CBr)Cc2cccc(Br)c2)nn1C 2150236997 HIBJJLGBUNANEX-GFCCVEGCSA-N 465.027 5.050 50 10 JKGE CCn1cc(Br)c([C@H](Br)c2c(Br)cc(F)c(F)c2F)n1 2181186469 QFXXXKGPHVFQSX-SECBINFHSA-N 476.916 5.330 50 10 JKGE COc1cc(C)c([C@@H](Br)Cc2cccc(Br)c2)cc1Br 2198737624 RCFIZAQCXZELPK-AWEZNQCLSA-N 463.007 6.207 50 10 JKGE Cc1sc(Br)c(C)c1[C@@H](Br)Cc1ccc(Br)cc1 2218800799 NNKWJANCEUPBFM-LBPRGKRZSA-N 453.037 6.569 50 10 JKGE FC1(F)[C@@H]([C@H](Br)c2c(Br)cc(Cl)c(Cl)c2Cl)C12CC2 2224325385 XVNGBFFIUQSRLZ-XCBNKYQSSA-N 455.351 6.891 50 10 JKGE Cc1c(Br)csc1[C@@H](Br)c1c(Br)cc(F)c(Cl)c1F 2226127034 SOLOFSQJSYQIEF-VIFPVBQESA-N 495.408 6.997 50 10 JKGE Cc1cc(Br)c([C@@H](Br)C2CC(C(C)C)C2)c(C)c1Br 2227346727 FMBAJFIRDBVSFW-PPUFBPAQSA-N 453.056 6.947 50 10 JKGE Cc1cc(Br)c([C@H](Br)[C@@H]2CCC3(CC3)C2)c(C)c1Br 2227347879 LAEROQIVYSDFSC-IAQYHMDHSA-N 451.040 6.845 50 10 JKGE Cc1cc(Br)c(C)c([C@H](Br)[C@H]2CC[C@@H]2C(F)(F)F)c1Br 2232581515 OMQIROZUJGKRMH-MWODSPESSA-N 478.972 6.853 50 10 JKGE COc1cc(F)cc([C@H](Br)c2cc(Br)c(C)cc2Br)c1 2234410359 VGWNZFAFQVYLAT-HNNXBMFYSA-N 466.970 6.152 50 10 JKGE COc1ccc(Br)c([C@@H](Br)Cc2ccc(Br)cc2Cl)c1 2237455299 XCPGQGIPNXOBIC-AWEZNQCLSA-N 483.425 6.552 50 10 JKGE CCc1cc([C@@H](Br)c2ccccc2I)sc1Br 2248048175 KOVWSMCFJINKBZ-LBPRGKRZSA-N 486.010 6.162 50 10 JKGE Cc1nn(C)c([C@H](Br)c2sc(C)c(C)c2Br)c1Br 2253506513 YGESWHIYKBYETQ-JTQLQIEISA-N 457.029 5.416 50 10 JKGE COc1ccc([C@@H](Br)c2c(Cl)cccc2Cl)cc1I 2269545748 RABGVLHTGKURRT-CQSZACIVSA-N 471.947 6.091 50 10 JKGE Fc1cccc(I)c1[C@@H](Br)c1ccc(C2CCC2)s1 2271956023 JPFUDMUKAWYETI-HNNXBMFYSA-N 451.142 6.244 50 10 JKGE COc1c(Br)cc(Cl)cc1[C@H](Br)c1cc(Cl)c(Cl)s1 2277890845 XCECDVZGGJBULB-JTQLQIEISA-N 465.421 6.964 50 10 JKGE COc1ccc([C@@H](Br)c2scc(Br)c2Cl)c(OC)c1Cl 2279283761 PURQRTLWRINYTR-SECBINFHSA-N 461.002 6.319 50 10 JKGE C[C@@H]1Cc2cc(Br)cc([C@@H](Cl)c3scc(Br)c3Cl)c2O1 2279291859 IGZASUUHTNGLKR-KSBSHMNSSA-N 457.014 6.578 50 10 JKGE COc1cc(Br)c(C=C(C#N)C(=O)Nc2cccc(C(F)(F)F)c2)cc1OC 2293665711 WSCONRWRINFQBX-UHFFFAOYSA-N 455.230 5.031 50 10 JKGE C=CCc1cc(C=C(C#N)C(=O)Nc2cccc(OC)c2)cc(OCC)c1OCc1ccccc1C#N 2294146947 JLLBTTXVUQJVJE-UHFFFAOYSA-N 493.563 5.819 50 10 JKGE COc1c([C@H](Br)[C@H]2C[C@@H](Br)C2)cc(Br)c2ccccc12 2294629357 ZKHJSEGNFKKALL-HFBDOXOYSA-N 463.007 6.220 50 10 JKGE Brc1cc(Br)cc(C[C@@H](Br)C2CC3(CCCCC3)C2)c1 2295336488 WSVWWCZMDYQGMX-MRXNPFEDSA-N 465.067 6.878 50 10 JKGE N#CC(=CNc1cccc(Br)c1)c1nc(-c2cccc(Br)c2)cs1 2295894301 BMLVUWRECJFTQY-UHFFFAOYSA-N 461.182 6.312 50 10 JKGE COc1ccc2cc(C=C(C#N)c3nc(-c4ccc(Cl)c(Cl)c4)cs3)c(Cl)nc2c1 2297315526 JNDJBXGPHICVKR-UHFFFAOYSA-N 472.784 7.391 50 10 JKGE Cc1ccccc1NC(SCc1ccccc1Cl)=C(C#N)C(=O)NCc1cccs1 2297414586 PUSWYUDWVLOJQC-UHFFFAOYSA-N 454.020 6.107 50 10 JKGE C[C@@H]1CC[C@H](C[C@H](Br)c2cc(Br)ccc2OCc2ccccc2)O1 2299536615 ZLWIHCIUAVDSDB-BJZITVGISA-N 454.202 6.422 50 10 JKGE Brc1cccc(Br)c1CO[C@H]1CCCC[C@@H]1I 2302081169 YSQQOXWANZAHIZ-STQMWFEESA-N 473.974 5.474 50 10 JKGE Cc1ccc(Oc2nc3c(C)cccn3c(=O)c2C=C(C#N)c2nc3ccccc3s2)c(C)c1 2314436770 AEDZKEQYCZAKDX-UHFFFAOYSA-N 464.550 6.086 50 10 JKGE FC(F)(F)C(F)(F)C[C@H](Br)c1ccc(OCc2ccccc2)cc1Br 2314502011 DICYCURDKOLGIA-HNNXBMFYSA-N 488.088 7.052 50 10 JKGE CCOC(=O)c1ccc(NC(=O)C(C#N)=Cc2ccc(-c3ccc([N+](=O)[O-])cc3Cl)o2)cc1 2314571111 BHIMTKWYWWKIFQ-UHFFFAOYSA-N 465.849 5.231 50 10 JKGE CCCOc1ccc(C=C(C#N)C(=O)Nc2cc(OC)c(NC(=O)c3ccccc3)cc2OC)cc1 2314737686 KAPCYSQLWPHQJY-UHFFFAOYSA-N 485.540 5.291 50 10 JKGE CCN(C[C@](C)(CI)OCCCCCC(F)(F)F)C(=O)OC(C)(C)C 2315805501 ZRDZOBTYBIQNJT-INIZCTEOSA-N 481.337 5.576 50 10 JKGE CC12CC(C1)[C@@H]([C@@H](Br)c1c(Br)sc(Br)c1Cl)CO2 2315928217 NNWQYTZONBQPPS-CTJZZNSLSA-N 479.459 6.178 50 10 JKGE CCCc1sc(Br)cc1[C@@H](Br)c1nc(C)sc1Br 2316179543 DCMRKSLQEJPHQB-SNVBAGLBSA-N 474.081 6.475 50 10 JKGE Brc1ccc(OCc2ccccc2)c([C@H](Br)C[C@H]2CC[C@@H]2C2CC2)c1 2319482686 JGPLOAIJFHPEMO-YFVAEKQCSA-N 464.241 7.290 50 10 JKGE Cc1nc(-c2ccc(F)c(F)c2)ccc1C(=O)NN=Cc1cccc(OCc2ccccc2)c1 2321215908 TYQBHALNZDRFLX-UHFFFAOYSA-N 457.480 5.678 50 10 JKGE CC[C@H](NC(=O)C(C#N)=CNCc1cccc(Br)c1)c1ccc2c(c1)CCCC2 2325092960 OIQRMJHYAPTJMG-QHCPKHFHSA-N 452.396 5.092 50 10 JKGE COc1cc(C=C(C#N)c2ccc(Cl)cc2F)ccc1OC(=O)c1ccc(Cl)cc1Cl 2331063976 ZUSRXPHYJNIUBC-UHFFFAOYSA-N 476.718 7.078 50 10 JKGE CCCOc1ccc(-c2csc(C(C#N)=C(O)c3ccc4c(c3)C(=O)N(CC(C)C)C4=O)n2)cc1 2331318427 KEZBGYMPLLQSRC-UHFFFAOYSA-N 487.581 5.801 50 10 JKGE COc1ccc(C=CC(O)=C(C#N)c2nc(-c3ccc(Oc4ccccc4)cc3)cs2)cc1 2331358726 HRCFLAJTGUCIAK-UHFFFAOYSA-N 452.535 7.117 50 10 JKGE COc1ccc(C=C(C(O)=C(C#N)c2nc(-c3ccc(OC)cc3OC)cs2)c2ccccc2)cc1 2331385601 STTVZMSEDYOCCO-UHFFFAOYSA-N 496.588 6.869 50 10 JKGE CCCc1ccc(OCC(O)=C(C#N)c2nc(-c3ccc(OCC)cc3OCC)cs2)cc1 2331386670 XYTRKFCFSSAHNS-UHFFFAOYSA-N 464.587 6.432 50 10 JKGE COc1c(Cl)cc(-c2csc(C(C#N)=C(O)C=Cc3ccc(C(C)C)cc3)n2)cc1Cl 2331396482 FCWGRPLJYVTCEK-UHFFFAOYSA-N 471.409 7.755 50 10 JKGE COc1ccc(-c2csc(C(C#N)=C(O)c3ccc(N(C)C)c([N+](=O)[O-])c3)n2)cc1Cl 2331399425 JRQJBCKSJDGHCI-UHFFFAOYSA-N 456.911 5.396 50 10 JKGE CCCCOc1ccc(C=C(C#N)c2nc(-c3ccc(Br)cc3)cs2)cc1OCC 2331429886 QFMDPHCUXDZLRU-UHFFFAOYSA-N 483.431 7.214 50 10 JKGE N#CC(=Cc1cc2c(cc1[N+](=O)[O-])OCCO2)c1nc(-c2ccc(Br)cc2)cs1 2331430393 OTIQWZDHMQCZAS-UHFFFAOYSA-N 470.304 5.316 50 10 JKGE COc1cc(C=C(C#N)c2nc(C(C)C)cs2)ccc1OC(=O)c1ccc(Cl)cc1Cl 2331451167 WTYFDKXXABFNMT-UHFFFAOYSA-N 473.381 6.865 50 10 JKGE CCCCCCCOc1ccc(-c2csc(C(C#N)=Cc3ccc(OC(C)C)c(OC)c3)n2)cc1 2331460628 NDROEADTBYMMGI-UHFFFAOYSA-N 490.669 8.019 50 10 JKGE Brc1cc(OCc2ccccc2)ccc1[C@@H](Br)C1C[C@H]2COC[C@H](C1)C2 2336043410 FEFUDWBFKDLTOX-HOIFWPIMSA-N 480.240 6.527 50 10 JKGE COc1ccc(C[C@@H](Br)c2sc(C)cc2Br)c(Br)c1 2338831696 QQCILBCJTSFJJZ-CYBMUJFWSA-N 469.036 6.269 50 10 JKGE CC(C)CCOCC[C@H](Cl)Cc1ccc(I)c(Br)c1 2349780693 HTHMZWCNJOHFOZ-ZDUSSCGKSA-N 459.593 5.656 50 10 JKGE BrC[C@@H]1C[C@@H]2CC[C@H](C1)N2Cc1ccc(I)c(Br)c1 2349838491 VVCQJNQRCWFTNR-CLLJXQQHSA-N 499.028 5.192 50 10 JKGE Fc1cc(Br)c(F)c(Br)c1[C@H](Br)[C@@H]1O[C@H]2CC[C@H]1C2 2352538145 DMQXOTXYCVBLSX-KQXJBUGQSA-N 460.938 5.493 50 10 JKGE COc1ccc([C@H](Br)c2ccc(OCc3ccccc3)cc2Br)c(OC)c1 2361201840 WMBPOEBJXBJRMI-JOCHJYFZSA-N 492.207 6.530 50 10 JKGE FC(F)Oc1ccccc1[C@H](Cl)c1cc(Br)ccc1OCc1ccccc1 2361202023 YCUVYRQMHPMMMU-FQEVSTJZSA-N 453.710 6.958 50 10 JKGE CC(C)(C1CCCC1)[C@H](Br)c1c(Cl)cc(Br)c(F)c1Br 2362224532 LYMZMCQURMAROC-CQSZACIVSA-N 491.464 7.657 50 10 JKGE Cl[C@H]1C[C@@H](Oc2cc(Br)cc(I)c2)C12CCCCCC2 2364105355 DTYLVJZDHYIWSK-LSDHHAIUSA-N 469.588 6.153 50 10 JKGE Clc1ccc(CC2(CBr)CC3(CCCCC3)C2)c(I)c1 2366712963 UMLUEKHHQJVUMZ-UHFFFAOYSA-N 467.616 6.613 50 10 JKGE CO[C@]1(C(F)F)C[C@H]([C@H](Br)Cc2cc(Br)cc(Br)c2)C1 2369092501 KICMNFZDMVIZQN-IUPBHXKESA-N 476.981 5.578 50 10 JKGE Cc1scc([C@@H](Br)c2cc3c(cc2Br)OCCC3)c1Br 2369620860 HVKHHVFLCHASKI-HNNXBMFYSA-N 481.047 6.391 50 10 JKGE CC(C)(C)Oc1ccc([C@@H](Br)c2ccsc2Br)cc1Br 2381320231 TVDVKVZMNPZFRO-CYBMUJFWSA-N 483.063 6.935 50 10 JKGE N#C/C(=C/c1ccc(-c2ccccc2)o1)C(=O)Nc1ncc(Cc2cc(Cl)ccc2Cl)s1 1767437 ACLPQYLHIIBVJK-BOPFTXTBSA-N 480.376 6.846 50 10 JKGE COc1ccc(/C=N/NC(=O)c2cccc([N+](=O)[O-])c2)cc1COc1cc(C)c(Cl)c(C)c1 3584914 WTFULUGTVCKGMI-LGJNPRDNSA-N 467.909 5.217 50 10 JKGE CC(C)OC(=O)c1cc(Br)ccc1-c1ccc(/C=C(\C#N)c2nc3ccccc3[nH]2)o1 33467472 CYZUEPXYFDPZAF-RVDMUPIBSA-N 476.330 6.215 50 10 JKGE COc1cccc(C(=O)N/N=C2\CCCc3oc(C(=O)Nc4cccc(C(F)(F)F)c4)c(C)c32)c1 40822385 GEKJNTUIODAJFL-NDZAJKAJSA-N 485.462 5.338 50 10 JKGE CC(C)(C)c1cc(Br)ccc1OCC(=O)N/N=C/c1ccc(OCc2ccccc2)cc1 40910586 UULGSKVEYUHSRA-LQKURTRISA-N 495.417 5.855 50 10 JKGE CCCCCCOc1ccc(/C=N/NC(=O)CSc2nnc(-c3ccccc3)s2)cc1OC 40947670 YBHLXBQWFUVFGG-PCLIKHOPSA-N 484.647 5.415 50 10 JKGE Cc1cccc(NC(=O)/C(C#N)=C\c2ccc(OC(=O)c3ccc(Cl)cc3Cl)cc2)c1 59201531 DJHMMWQKQIWQCX-ATVHPVEESA-N 451.309 6.067 50 10 JKGE C#CCOc1cc(Br)c(/C=C(\C#N)C(=O)Nc2cccc(Cl)c2Cl)cc1OC 59336275 QSCRLLPPNZWCAW-MDWZMJQESA-N 480.145 5.322 50 10 JKGE N#C/C(=C/c1ccc(COc2ccc(Br)cc2)o1)C(=O)Nc1sccc1C#N 96438602 LFQTXAJBCQQZIB-ZROIWOOFSA-N 454.305 5.100 50 10 JKGE CCc1ccccc1N/C=C(/C#N)c1nc(-c2cc3cc(Br)ccc3oc2=O)cs1 100159305 VYKWHRORPTWKSD-VBKFSLOCSA-N 478.371 6.218 50 10 JKGE N#C/C(=C\c1cn(-c2ccccc2)nc1-c1ccc2ccccc2c1)C(=O)NCc1cccnc1 102858602 ASBYKEPGCJBIGA-PCLIKHOPSA-N 455.521 5.311 50 10 JKGE COc1cc(Br)c(O[C@@H]2C[C@H](Br)C23CCCC3)cc1Br 118819536 UJZYEKSKOASFJO-UONOGXRCSA-N 469.011 5.695 50 10 JKGE COc1c(C)cc(Br)c(C)c1[C@@H](Br)c1ccc(Br)cc1C 125687652 KXRHEUVWEOPUFE-INIZCTEOSA-N 477.034 6.630 50 10 JKGE O=C(N[C@H]1c2ccccc2C[C@H]1Br)c1cc(Br)ccc1Br 161222351 DGXRGXXHSNXVJI-CABCVRRESA-N 473.990 5.002 50 10 JKGE Fc1ccc2cc([C@@H](Br)c3cc(Br)sc3Br)sc2c1 168849458 CGKWIQMEIRYOPV-LBPRGKRZSA-N 485.035 7.111 50 10 JKGE COc1cccc(/C=N\NC(=O)c2nc(-c3ccccc3)sc2C)c1OCc1ccccc1 169927128 YJBWUROCRUNBRC-YUMHPJSZSA-N 457.555 5.470 50 10 JKGE ClC[C@@]1(C(Cl)Cl)[C@H]2CC(Cl)(Cl)[C@@]1(C(Cl)Cl)[C@H](Cl)C2(Cl)Cl 197056572 DGYUTICLLXPLLK-UCZUICOWSA-N 482.704 6.794 50 10 JKGE COc1ccc(Br)cc1[C@H](Br)c1cc(Cl)ccc1Br 234813954 LOVTVHHSGJJZJC-CQSZACIVSA-N 469.398 6.358 50 10 JKGE Cc1cc([C@@H](Br)c2cc(I)ccc2Br)c(C)s1 235863707 PDOLSKSPYWZQEM-CYBMUJFWSA-N 486.010 6.216 50 10 JKGE Cc1cc([C@@H](Br)c2ccc(Br)cc2Br)cc(C)c1F 235864121 QPZMCNPDZIKZRB-CQSZACIVSA-N 450.971 6.452 50 10 JKGE Clc1ccsc1COc1c(Br)cc(Br)cc1CBr 310959228 BKDQFKUOVFCVMT-UHFFFAOYSA-N 475.427 6.400 50 10 JKGE C[C@@H](Cl)c1nc2ccncc2n1-c1cc(Br)ccc1I 312928856 DTFJISGOYJWKFM-MRVPVSSYSA-N 462.516 5.087 50 10 JKGE COc1c(C)cc(Br)c(C)c1[C@H](Br)c1cscc1Br 404786483 YPXJAHHFTJPFHI-CYBMUJFWSA-N 469.036 6.383 50 10 JKGE CC(C)(C)OC(=O)NCCN1CCCC[C@H](c2ccccc2CCO[Si](C)(C)C(C)(C)C)C1 616603681 UJOBXNBBDFCTNI-QHCPKHFHSA-N 476.778 6.345 50 10 JKGE CCN(C[C@](C)(CI)OC[C@H]1C[C@@H]1C(C)(C)C)C(=O)OC(C)(C)C 703460600 BYPRYQXYPDSMEW-VCBZYWHSSA-N 453.405 5.136 50 10 JKGE COCc1cc(Br)c([C@@H](Br)c2ccc(Br)cc2)s1 710852916 CFBGATXIKCDZCL-LBPRGKRZSA-N 455.009 5.904 50 10 JKGE Cc1oc(Br)cc1[C@@H](Br)c1cc(Br)cc2c1O[C@@H](C)C2 720027189 PGSSSJZSOTXMLV-JKYUHCHBSA-N 464.979 5.921 50 10 JKGE Fc1ccc(C[C@@H](Cl)c2ccc(I)c(Br)c2)cc1F 721571336 GETRRUSAIGZHTI-LLVKDONJSA-N 457.483 5.855 50 10 JKGE Fc1cc(CC(CBr)(CBr)C2CCCCC2)ccc1Br 722029669 MVYVHKJMLFNPDM-UHFFFAOYSA-N 471.046 6.487 50 10 JKGE Cc1sc(C)c([C@H](Br)c2cc(Br)sc2Br)c1C 722495623 KPPHWJCKDHZQEN-LLVKDONJSA-N 459.066 6.744 50 10 JKGE COc1cccc(CCNC(=O)/C=C/c2cc(OC)c(O[Si](C)(C)C(C)(C)C)c(OC)c2)c1 725237676 BNKSKBXDWAHJLY-OUKQBFOZSA-N 471.670 5.469 50 10 JKGE O=C(NCCCc1ccccc1)[C@@H](c1cccs1)N(C(=O)CCl)c1cccc(C(F)(F)F)c1 725238314 RRWONYWEXPWPFK-JOCHJYFZSA-N 494.966 5.829 50 10 JKGE CCOc1cc(Cl)c(C=NNC(=O)c2cc3cc(Br)ccc3o2)cc1OC 1083965096 CBBRYQJJADTERI-UHFFFAOYSA-N 451.704 5.020 50 10 JKGE N#C/C(=C/c1cccc(OCc2ccc(Br)cc2)c1)C(=O)Nc1cccc(Cl)c1 1084127269 PKJFFAUCQBNDCJ-WQRHYEAKSA-N 467.750 6.227 50 10 JKGE CO[C@H](C(=O)NN=C(C)c1ccc2c(c1)[C@@H]1C=CC[C@@H]1[C@H](c1ccccc1)N2)c1ccccc1 1084499360 RWMSLTACYJYAJB-JGPKDBRGSA-N 451.570 5.741 50 10 JKGE COc1ccc(/C(C#N)=C/c2cccc(OC(=O)/C=C/c3ccc(C(C)C)cc3)c2)cc1OC 1615066538 HACXQUVSXWSDJN-FCMREFMGSA-N 453.538 6.510 50 10 JKGE CCCCCOc1ccc(C=NNC(=O)COc2ccc(Br)cc2C(C)C)cc1OC 1772755962 WBRRZIDOSCGQLB-UHFFFAOYSA-N 491.426 5.679 50 10 JKGE C[C@@H](Oc1ccc(Cl)cc1Cl)C(=O)NNC(=O)c1ccc(-c2ccc3ccccc3c2)s1 1860391445 HJOVVGYFKOVFAY-CQSZACIVSA-N 485.392 6.104 50 10 JKGE CCCc1nn(Cc2ccc(Cl)c(Cl)c2)c2c1[C@@H](c1c(F)cccc1Cl)C(C#N)=C(N)O2 1865681921 APKJVMCOWOMUBJ-LJQANCHMSA-N 491.781 6.201 50 10 JKGE CN(C)c1ccc([C@H]2C(C#N)=C(N)Oc3c2c(-c2ccccc2)nn3Cc2ccccc2F)cc1 1865684156 UXVZIUPPGDJIBY-DEOSSOPVSA-N 465.532 5.022 50 10 JKGE CCCc1nn(-c2ccc(OC)cc2)c2c1[C@H](c1c(Cl)cccc1Cl)C(C#N)=C(N)O2 1865686630 YFPCLOLPFBLZKK-IBGZPJMESA-N 455.345 5.358 50 10 JKGE CCCCOc1ccc([C@H]2C(C#N)=C(N)Oc3c2c(C(F)(F)F)nn3Cc2ccccc2)cc1 1865690156 KCWHCDIEMMRNLT-FQEVSTJZSA-N 468.479 5.347 50 10 JKGE CCCc1nn(Cc2ccccc2Cl)c2c1[C@H](c1ccc(OC(C)C)c(OC)c1)C(C#N)=C(N)O2 1865695881 ABZZWPYBABMAFV-XMMPIXPASA-N 493.007 5.551 50 10 JKGE CCCc1nn(CC)c2c1[C@@H](c1ccc(OCc3ccccc3C)c(OCC)c1)C(C#N)=C(N)O2 1865703667 YPMWUIJURRSDHG-VWLOTQADSA-N 472.589 5.360 50 10 JKGE CCc1ccc([C@H]2C(C#N)=C(N)Oc3c2c(-c2ccccc2)nn3-c2ccccc2Cl)cc1 1865708671 CDTUALKXKSBHFV-QHCPKHFHSA-N 452.945 5.973 50 10 JKGE CCCC[C@@H](NC(=O)C[C@@H](c1ccc(C)c(C)c1)C1CC1)C(=O)Nc1ccc(SC#N)cc1 1866723100 BHGNQEYWDVIWSA-JWQCQUIFSA-N 463.647 6.074 50 10 JKGE COc1ccc2c(c1)CCN(c1cc(Nc3ccc(SC#N)cc3)nc(-c3ccc(F)cc3)n1)[C@H]2C 1868456234 LCNDEXKYZBZARQ-SFHVURJKSA-N 497.599 6.732 50 10 JKGE CCCCc1ccc(-c2csc(/C(C#N)=C(O)/C=C/c3ccc(OC(C)=O)c(OC)c3)n2)cc1 1872744943 PVKPOZVHGQMAFM-JURBMKICSA-N 474.582 6.593 50 10 JKGE COc1c(C)cc(C)cc1-c1csc(/C(C#N)=C(\O)c2ccc3c(c2)C(=O)N(C(C)C)C3=O)n1 1872754988 SUSCSTYNJNBJFJ-XDOYNYLZSA-N 473.554 5.390 50 10 JKGE COc1c(C)cc(C)cc1-c1csc(/C(C#N)=C(\O)c2cccc(Oc3ccccc3)c2)n1 1872755124 ZDWGADZHIVNWOZ-BZZOAKBMSA-N 454.551 7.178 50 10 JKGE COc1c(Cl)cc(-c2csc(/C(C#N)=C(O)/C=C/c3ccccc3Cl)n2)cc1Cl 1872756103 RNSAPVGNJJUXSQ-SUJSHMTESA-N 463.773 7.285 50 10 JKGE COc1ccc(Cl)cc1-c1csc(/C(C#N)=C(\O)CCCN2C(=O)c3ccccc3C2=O)n1 1872758494 CVAIBMLVJXZWRC-ZZEZOPTASA-N 479.945 5.341 50 10 JKGE Clc1cc(CC(CBr)(CBr)C2CCOCC2)c(Cl)s1 1883052140 GCAZRXLSIBYGPP-UHFFFAOYSA-N 451.051 5.800 50 10 JKGE ClCC1(N(Cc2ccccc2)Cc2ccc(Cl)cc2I)CCC1 1901946651 NGRHQPOVAWRUMM-UHFFFAOYSA-N 460.186 6.108 50 10 JKGE Cc1c(Br)sc([C@H](Br)c2cccc(C(F)(F)F)c2)c1Br 1922882263 GSNIMEGETPBYIR-SNVBAGLBSA-N 492.980 7.085 50 10 JKGE Cc1c(Br)sc([C@@H](Cl)c2cnn(C)c2Br)c1Br 1922888736 RZIAMBPQLQQLBF-ZETCQYMHSA-N 463.420 5.406 50 10 JKGE COc1ccc([C@H](Cl)c2c(Br)sc(Br)c2Br)s1 1924569954 CDWROLNWYSYWKM-QMMMGPOBSA-N 481.456 6.434 50 10 JKGE Cc1coc([C@H](Br)c2c(Br)sc(Br)c2Br)c1 1924614720 QILQYJICCLVTPA-ZETCQYMHSA-N 493.840 6.421 50 10 JKGE Clc1sc(Cl)c([C@H](Br)c2ccccc2I)c1Cl 1925569201 QWUBGLYTKFUCIC-MRVPVSSYSA-N 482.395 6.797 50 10 JKGE Clc1sc(Cl)c([C@@H](Cl)c2ccc(Br)cc2Br)c1Cl 1925589027 RGTAPFNWZGCFKJ-QMMMGPOBSA-N 469.840 7.562 50 10 JKGE COc1sc([C@H](Br)c2ccccc2OCc2ccccc2)cc1Br 1946718844 ATAQUYOCMPRFBX-GOSISDBHSA-N 468.210 6.583 50 10 JKGE CC[C@@H]1CN(c2cc(Br)ccc2CBr)CCN1Cc1ccccc1 1946743734 FFCSUFUHRAUXIL-LJQANCHMSA-N 452.234 5.445 50 10 JKGE CC[C@H]1CN(c2ccc(CBr)c(Br)c2)CCN1Cc1ccccc1 1946744017 HTFFJEOBVBYAMO-SFHVURJKSA-N 452.234 5.445 50 10 JKGE FC(F)(C1CCCC1)[C@H](Br)c1sc(Br)cc1Br 2012974195 CLWNUSGDVWHUAT-SNVBAGLBSA-N 452.984 6.535 50 10 JKGE CCc1ccc([C@@H](Br)c2ccc(Br)cc2I)s1 2026221628 MZVKNTBDYHVBIB-ZDUSSCGKSA-N 486.010 6.162 50 10 JKGE Brc1csnc1[C@@H](Br)c1cc(Br)c2c(c1)CCO2 2030021751 OWPFDZCKBSDJEX-JTQLQIEISA-N 453.981 5.087 50 10 JKGE CCOc1ccc([C@H](Cl)c2cc(I)sn2)c(Br)c1 2056487549 MHDIXMOMCYKNAM-LBPRGKRZSA-N 458.546 5.237 50 10 JKGE C[C@@]1([C@@H](Br)c2cc(Br)sc2Br)CCCC(F)(F)C1 2068383534 IPGVHBSRDMPNGP-GXSJLCMTSA-N 467.011 6.925 50 10 JKGE FC1(F)CC2(C[C@H]2[C@@H](Cl)c2c(Br)sc(Br)c2Br)C1 2069069863 VZGRXTKONQFVCD-MHTLYPKNSA-N 485.413 6.751 50 10 JKGE Cc1cc(C)c(-n2nc(CBr)c(I)c2C(F)(F)F)c(C)c1 2079260676 LEVSSANCWRUVLJ-UHFFFAOYSA-N 473.074 5.316 50 10 JKGE Cc1c(Br)ccc([C@H](Br)c2nn(C)cc2Cl)c1Br 2083330207 LZAINSOIICHRDT-NSHDSACASA-N 457.391 5.391 50 10 JKGE C[C@@H]1[C@@H](Br)C[C@H]2CC[C@H]1N2Cc1ccc(Br)cc1Br 2092260462 HRBPAEUSEXZJEU-BXKLLYQPSA-N 452.028 5.348 50 10 JKGE ClCc1cc(OCc2cccc(Br)c2Br)ccc1Br 2092330578 KKGHITQGVMRWEN-UHFFFAOYSA-N 469.398 6.292 50 10 JKGE Cl[C@@H](c1cc(C2CC2)c(Br)s1)c1cccc(Br)c1Br 2094668919 LNCAEHJGMNNHFU-CYBMUJFWSA-N 485.466 7.241 50 10 JKGE C[C@@H]1CCO[C@@H]1CC(CBr)(CBr)c1ccccc1Br 2096124049 DMXWPAKUEMGKDS-BXUZGUMPSA-N 455.028 5.292 50 10 JKGE COc1cc(C)c(Br)cc1[C@@H](Br)c1cc(C)sc1Br 2101013864 HLHCMWAKZKDRFK-CYBMUJFWSA-N 469.036 6.383 50 10 JKGE Cc1cc([C@H](Br)c2nn(C)c(Br)c2C)c(C)cc1Br 2111925965 FDYXFGRNXJWFSP-LBPRGKRZSA-N 451.000 5.355 50 10 JKGE Cc1cc(Br)ccc1Oc1cc(Br)cc(F)c1CBr 2114263452 ADWIOZWAYRQYBS-UHFFFAOYSA-N 452.943 6.346 50 10 JKGE FC(F)c1cccc([C@H](Cl)c2c(Br)sc(Br)c2Br)c1 2115946799 CMVFHGYWEIIMKI-VIFPVBQESA-N 495.408 7.301 50 10 JKGE CC1(C)CC12CC(CBr)(Cc1c(Br)cccc1Br)C2 2127499046 HMGUAYKBBNEOOR-UHFFFAOYSA-N 451.040 6.346 50 10 JKGE CCCC(CCC)[C@H](Br)c1c(C)c(Br)cc(C)c1Br 2136378463 DDQCPWMRJZLRCC-INIZCTEOSA-N 455.072 7.481 50 10 JKGE COCc1csc([C@H](Br)c2ccc(Br)c(C)c2Br)c1 2138866308 OUHREYLGMUGMJE-CQSZACIVSA-N 469.036 6.212 50 10 JKGE Cc1c(Br)ccc([C@@H](Br)[C@@H]2CC3(CCC3)CO2)c1Br 2138870051 GAVMQLPQRUJZAO-GXTWGEPZSA-N 453.012 5.915 50 10 JKGE CC(C)(C)[C@H]1C[C@H](CBr)CN(Cc2ccc(I)cc2)C1 2165008923 PUEMXDPPMJUYPM-CABCVRRESA-N 450.202 5.170 50 10 JKGE C[C@H](Cl)c1nc2cc(Cl)c(Br)cc2n1[C@H]1[C@@H]2CN(Cc3ccccc3)C[C@@H]21 2169010515 WDPPHQLOYUQDQI-XSRSJLKASA-N 465.222 6.055 50 10 JKGE CC[C@H](Br)[C@H]1CCCCN1C(=O)c1ccc(Br)cc1Br 2170612380 ICKMKMSROHLPKF-GXTWGEPZSA-N 468.027 5.380 50 10 JKGE Cc1cc(Br)c(CBr)c(N(C)[C@@H](C)c2cc(Br)cs2)c1 2186580056 YEYQYDHUVOZEAO-JTQLQIEISA-N 482.079 6.674 50 10 JKGE CCOc1ccc(Br)cc1[C@@H](Br)c1c(Br)nn(C)c1C 2188146220 GZXWMZIDOIXRFN-CYBMUJFWSA-N 466.999 5.137 50 10 JKGE C[C@@]12CC[C@@](COc3c(Br)cc(CBr)cc3Br)(CO1)C2 2196117669 KYKQDYUOOSMYMC-LSDHHAIUSA-N 469.011 5.445 50 10 JKGE Clc1ccc([C@@H](CI)OCc2cc(Cl)ccc2Br)cc1 2200751296 LDBVEFLMWIDNPA-OAHLLOKOSA-N 485.974 6.449 50 10 JKGE Cc1ccc(Br)cc1[C@@H](Cl)c1c(C)c(Br)cc(C)c1Br 2201075366 CFMXQOGCBPTREY-MRXNPFEDSA-N 481.453 7.228 50 10 JKGE O=S1(=O)C[C@@H]2CCC[C@@]2([C@@H](Br)c2c(Cl)sc(Br)c2Cl)C1 2201881162 PFIPWDQQKDBUTI-ZKQGETEISA-N 483.074 5.468 50 10 JKGE COc1cc(F)c([C@@H](Br)c2cc(Cl)cc(Br)c2)cc1Br 2202904495 SJXFZFHIUKFBGP-AWEZNQCLSA-N 487.388 6.497 50 10 JKGE COc1c(Cl)cc(Br)cc1[C@@H](Cl)c1c(Cl)cccc1Br 2203006806 JALKLMCYBKCASX-CYBMUJFWSA-N 459.392 6.855 50 10 JKGE Brc1ccc([C@@H](Br)c2ccc(-c3cccs3)s2)c(Br)c1 2205861675 RFLTYKIAQMPJSJ-OAHLLOKOSA-N 493.083 7.486 50 10 JKGE Brc1sc([C@H]2CC[C@H](Br)C2)c(Br)c1Br 2209972676 BBPVRRJAKQIOBE-WHFBIAKZSA-N 467.846 6.067 50 10 JKGE Cc1ccc(I)c([C@H](Br)c2cc(Br)sc2C)c1 2217420821 KYVQKIQFTMAKCS-CYBMUJFWSA-N 486.010 6.216 50 10 JKGE Cc1c(Br)sc([C@H](Cl)c2cc(Br)cc(Br)c2)c1C 2218786764 BXJMCROLRPFEMR-LLVKDONJSA-N 473.455 6.981 50 10 JKGE Cc1sc([C@@H](Br)c2c(Br)sc(Br)c2Cl)c(C)c1C 2221247636 WUMSKYFMBQPSSH-QMMMGPOBSA-N 493.511 7.398 50 10 JKGE Cc1nn(C)c([C@H](Cl)c2c(Br)sc(Br)c2Cl)c1Cl 2224017423 DYGMMDZQEUOXOU-ZCFIWIBFSA-N 453.414 5.950 50 10 JKGE C[C@H](C[C@@H](Br)c1cc(Br)c(Br)cc1F)CC(C)(C)C 2225618683 ZKUHGCPFZSPARR-MWLCHTKSSA-N 459.035 7.249 50 10 JKGE CCOCc1cc(Br)c([C@@H](Br)c2cc3cscc3s2)s1 2233032039 ROHGWZWLUQSHIP-ZDUSSCGKSA-N 452.258 6.808 50 10 JKGE Fc1cc(Br)c(Br)cc1[C@H](Cl)Cc1ccc(Cl)c(Cl)c1 2233968866 FFJPTWLLZKMBTA-GFCCVEGCSA-N 461.383 7.180 50 10 JKGE CC12CCC([C@H](Br)c3cc(Br)c(Br)cc3F)(CC1)CO2 2233974390 FPIYFBUWGHANPD-WLYUNCDWSA-N 471.002 6.136 50 10 JKGE CCOc1ccc([C@@H](Br)c2sc(C)c(Br)c2C)cc1Br 2234471409 RTQLKZJSZXRHQS-CQSZACIVSA-N 483.063 6.773 50 10 JKGE Fc1cc(F)c([C@@H](Br)c2ccc(Br)c(Cl)c2)c(F)c1Br 2236108277 JJGZCEVGEYYDAJ-NSHDSACASA-N 493.342 6.767 50 10 JKGE Cc1ccc(I)c(-n2c(CCl)nc3ccc(Br)cc32)c1 2240626007 LUIUOMHQBYYEQR-UHFFFAOYSA-N 461.528 5.440 50 10 JKGE Cc1cc(Br)sc1[C@@H](Br)c1scc(Br)c1Cl 2242670712 JAPPUXLQPGJDFC-SSDOTTSWSA-N 465.457 6.781 50 10 JKGE C[C@H](c1ccncc1Br)[C@H](Br)c1cccc(Cl)c1Br 2267978353 UJYLBRQBTFWRMZ-OQPBUACISA-N 468.414 6.500 50 10 JKGE Cc1cc([C@H](Br)c2c(F)cc(Br)c(F)c2Br)oc1C 2272726654 ATROEMCDRHCKHH-NSHDSACASA-N 458.922 6.184 50 10 JKGE COc1ccc([C@H](Br)[C@@H]2CC[C@H]3[C@H](C2)C3(F)F)cc1I 2284997685 HSNANEHZHXNUAD-RTOGKPCTSA-N 457.096 5.417 50 10 JKGE Fc1cc(Br)c(F)c(Br)c1[C@@H](Br)[C@@H]1CCCC2(CC2)C1 2288346794 LXURTMFJCZKZBS-PELKAZGASA-N 472.993 6.896 50 10 JKGE COc1ccc(Br)c([C@H](Cl)Cc2cc(Br)cc(Br)c2)c1 2295343670 ZHHQJYJAESFCIV-OAHLLOKOSA-N 483.425 6.505 50 10 JKGE CCCCCCOC(=O)c1ccccc1NC=C(C#N)c1nc(-c2ccc(C)c(C)c2)cs1 2295934331 CVCLCSPNFWTFJP-UHFFFAOYSA-N 459.615 7.141 50 10 JKGE COC(=O)c1c(NC=C(C#N)c2nc(-c3cc4ccccc4oc3=O)cs2)sc(C)c1C 2296342622 DVOORMDWFREVRI-UHFFFAOYSA-N 463.540 5.358 50 10 JKGE Cc1ccc(C[C@@H]2SC(=C(C#N)C(=O)Nc3ccc(C)cc3)N(c3ccccc3)C2=O)cc1 2296506819 GPMSFHKLFMHANB-DEOSSOPVSA-N 453.567 5.368 50 10 JKGE COc1cc(C=C(C#N)C(=O)Nc2nc3ccccc3s2)ccc1OCCCOc1ccc(C)cc1 2297500416 XTABMPHBAOZWFA-UHFFFAOYSA-N 499.592 6.007 50 10 JKGE COc1cccc(C=C(C#N)C(=O)Nc2ccc(C)cc2)c1OCc1ccc(Br)cc1 2313631809 WGSQDTGZSIHSRP-UHFFFAOYSA-N 477.358 5.891 50 10 JKGE N#CC(=Cc1cccc(OC(=O)c2ccc(Cl)cc2)c1)C(=O)Nc1cccc2ccccc12 2313724544 GNBBCDYJNYBCQU-UHFFFAOYSA-N 452.897 6.258 50 10 JKGE C[C@H]1Oc2ccccc2C=C1C=C(C#N)c1nc(-c2ccccc2)c(NC(=O)c2cccs2)s1 2314433294 LUOSCJMMDVJFNG-QGZVFWFLSA-N 481.602 6.895 50 10 JKGE Cc1cc(Br)ccc1[C@@H](Cl)c1cc(Br)ccc1OCc1ccccc1 2314503567 SXCHEPIDSVNLOJ-OAQYLSRUSA-N 480.627 7.427 50 10 JKGE N#CC(=Cc1ccc(-c2cc(Cl)ccc2Cl)o1)C(=O)Nc1ccc(Cl)c(Cl)c1 2314571262 CKTKSMGXMLAWAQ-UHFFFAOYSA-N 452.124 7.106 50 10 JKGE COc1ccc(N2C(=O)[C@@H](Cc3cccc(C)c3)SC2=C(C#N)C(=O)Nc2cccc(C)c2)cc1 2314591787 DYPBAJDXJQAEGO-RUZDIDTESA-N 483.593 5.377 50 10 JKGE C=CCNC(=O)C(C#N)=C1S[C@H](Cc2ccc(CCCC)cc2)C(=O)N1c1ccc(OCC)cc1 2314594152 ZUFUQZISCUGZJA-RUZDIDTESA-N 489.641 5.156 50 10 JKGE CC(C)(C)c1ccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)C=Cc4ccc(Cl)cc4)ccc32)cc1 2314634276 VKCJVWIMUNKTDJ-MHZLTWQESA-N 484.983 6.474 50 10 JKGE COc1cc(C=C(C#N)C(=O)NCc2ccccc2)ccc1OC(=O)COc1ccc(C(C)(C)C)cc1 2314736927 BQHLMHYPONYLMQ-UHFFFAOYSA-N 498.579 5.200 50 10 JKGE Cc1c(F)ccc([C@@H](Br)c2sc(Cl)cc2I)c1Cl 2316772218 VQQNQIWUQAUZIT-SNVBAGLBSA-N 479.967 6.591 50 10 JKGE CC(C)[C@@H](CBr)N(Cc1ccccc1)C(=O)c1cc(F)c(Br)cc1O 2317272101 SFQRNKNOJHZULQ-QGZVFWFLSA-N 473.180 5.356 50 10 JKGE Cc1nc(-c2ccc(Cl)cc2Cl)ccc1C(=O)NN=Cc1c(Cl)nc2scc(C)n12 2321242179 IVPMQZQATDLBFS-UHFFFAOYSA-N 478.792 5.799 50 10 JKGE CCCOc1c(Cl)cc(C=NNC(=O)c2ccc3[nH]c4c(c3c2)CCCC4)cc1OCC 2323150896 VJOATKMAIJSMHY-UHFFFAOYSA-N 453.970 5.652 50 10 JKGE CCCOc1ccc(-c2csc(C(C#N)=C(O)c3cccc(OC)c3)n2)cc1OCCC 2331293259 NZKOFJAVYBAOPY-UHFFFAOYSA-N 450.560 6.346 50 10 JKGE COc1c(C)cc(C)cc1-c1csc(C(C#N)=C(O)[C@@H](C(C)C)N2C(=O)c3ccccc3C2=O)n1 2331371888 OHHAVKFAOHZWHH-JOCHJYFZSA-N 487.581 5.549 50 10 JKGE N#CC(=C(O)COc1cc(Cl)ccc1Cl)c1nc(-c2cc(Cl)ccc2Cl)cs1 2331404502 MWKIDOHCWQBNMQ-UHFFFAOYSA-N 472.180 7.295 50 10 JKGE Cc1ccc([C@H](C)[C@H](Br)c2ccc(OCc3ccccc3)cc2Br)cc1 2336044634 PNAOMEYQICLHCC-SBUREZEXSA-N 474.236 7.576 50 10 JKGE CO[C@@H]1C[C@H]([C@H](Br)c2ccc(OCc3ccccc3)cc2Br)C12CCC2 2336085074 ZDCJDMAUEUCYSE-HMXCVIKNSA-N 480.240 6.669 50 10 JKGE Fc1c(Br)cc(Cl)c([C@H](Br)[C@H]2C[C@@H]3CC[C@H]2C3)c1Br 2337090969 UCTGCTHOXATDKF-MOEZTCPLSA-N 475.421 6.876 50 10 JKGE CC[C@@H](Br)[C@@H]1CCCCN1Cc1ccc(Cl)cc1I 2341052094 RMFFQQDEFLXBOT-HIFRSBDPSA-N 456.593 5.473 50 10 JKGE COC1(C(F)F)CC([C@@H](Br)c2c(Cl)sc(Br)c2Cl)C1 2343017763 SWABGAGMSLWBMD-YQAWMQRYSA-N 458.977 6.314 50 10 JKGE CC(C)[C@H](Cl)C(C)(C)CNCc1ccc(I)c(Br)c1 2349828182 KHNBZMIDSZCIFS-AWEZNQCLSA-N 458.609 5.433 50 10 JKGE CCc1cc(Br)c(OC)c([C@H](Br)c2cocc2Br)c1 2353032798 BBKGGOYMGFTAIL-ZDUSSCGKSA-N 452.968 5.860 50 10 JKGE Brc1cc(OCc2ccccc2)ccc1[C@H](Br)C1C2CC3CC(C2)CC1C3 2361194744 KHRNEUSGFBSEDU-LOSMYYBPSA-N 490.279 7.536 50 10 JKGE Brc1cc(OCc2ccccc2)ccc1[C@@H](Br)c1cccc2ccccc12 2361195004 MIOBKEFDPVCTHF-DEOSSOPVSA-N 482.215 7.666 50 10 JKGE Fc1cccc(C[C@@H](Br)c2c(Cl)cc(Br)c(F)c2Br)c1 2362252889 HADHGZKVEZCQQW-SECBINFHSA-N 489.379 6.822 50 10 JKGE Cc1cc(Br)c(F)c(Br)c1[C@@H](Br)C12CCC(CC1)OC2 2365192893 FBFQBUOZNNWMTR-JBLLZRQOSA-N 471.002 6.054 50 10 JKGE COc1c(Br)cc(C)c([C@H](Br)C[C@H]2C[C@@H]2C2CC2)c1Br 2365233511 GATUFZUGFSTELN-IJLUTSLNSA-N 467.039 6.401 50 10 JKGE CCOCc1cc(Br)c([C@@H](Br)c2cc(OC)c(Cl)s2)s1 2365841228 VCHZTTLZNRSKLI-NSHDSACASA-N 460.640 6.255 50 10 JKGE ClC1CCC([C@H]2CCN(c3ncc(I)cc3Br)C2)CC1 2381237179 RWKLVVINXHUOEW-CXQJBGSLSA-N 469.592 5.073 50 10 JKGE C=CCOc1ccc(/C=C(/C#N)C(=O)Nc2ncc(Cc3ccc(Br)cc3)s2)cc1 1767559 WWMJFQLBCMJWLK-PDGQHHTCSA-N 480.387 5.607 50 10 JKGE Cc1c(Cl)cccc1N(C(=O)CCl)[C@@H](C(=O)NC1CCCCC1)c1ccc(Cl)cc1 3035271 JRLJUAVVTZJHPQ-JOCHJYFZSA-N 467.824 6.064 50 10 JKGE C/C(=N\NC(=O)COc1ccc(C(C)(C)C)cc1Br)c1ccc2ccccc2c1 12403459 XPNSGMFOTZMIRY-WGOQTCKBSA-N 453.380 5.819 50 10 JKGE COc1ccc(NC(=O)/C(C#N)=C\c2cccc(OC(=O)c3cccc4ccccc34)c2)c(C)c1 33900373 BOSMHVNFIXKILJ-JWGURIENSA-N 462.505 5.922 50 10 JKGE N#CC1=C(N)Oc2cc(OC(=O)Cc3ccc(Cl)cc3)ccc2[C@@H]1c1c(Cl)cccc1Cl 38680063 DHUQQCDQTXQSNN-QFIPXVFZSA-N 485.754 6.013 50 10 JKGE CCCCCOc1ccccc1[C@@H]1C(C#N)=C(N)Oc2cc(OC(=O)c3ccccc3OCC)ccc21 38686204 HDWMNXZNECOLTC-NDEPHWFRSA-N 498.579 6.092 50 10 JKGE Cc1ccc2c(C)c(C(=O)Oc3ccc4c(c3)OC(N)=C(C#N)[C@@H]4c3cccc(F)c3)oc2c1C 38700504 SIQTVQNMXUWKPR-XMMPIXPASA-N 468.484 5.935 50 10 JKGE CCc1ccc(NC(=S)NNC(=O)c2ccc(-c3cc(C(F)(F)F)ccc3Cl)o2)cc1 39892554 XAWQNNFAEGFCJU-UHFFFAOYSA-N 467.900 5.813 50 10 JKGE CCCCCCOc1ccc(/C=C(\C#N)C(=O)Nc2scc(-c3ccccc3)c2C(=O)OC)cc1 40858879 IFIXCNOXVYTECA-OQKWZONESA-N 488.609 6.706 50 10 JKGE CCOc1ccc(/C=C(\C#N)C(=O)Nc2sc(C)c(-c3ccc(F)cc3)c2C(=O)OC)cc1OC 40939442 IDIJYEDRKWZYFO-LDADJPATSA-N 494.544 5.602 50 10 JKGE O=C(N/N=C1/C(=O)N(Cc2cccc3ccccc23)c2ccccc21)c1cc(F)c(F)cc1Cl 59166208 YEICBBHCEQBQMR-BGABXYSRSA-N 475.882 5.452 50 10 JKGE COc1cc(/C=N\NC(=O)c2ccc(Cl)cc2)ccc1Oc1ccc(C(F)(F)F)cc1[N+](=O)[O-] 59462995 VPGGUCVOUPBFTQ-PPDIBHTLSA-N 493.825 5.832 50 10 JKGE CCOc1c(Cl)cc(/C=N/NC(=O)c2cc3cc(Br)ccc3o2)cc1OC 59680286 LCNPEHAAOIRJHE-LSHDLFTRSA-N 451.704 5.020 50 10 JKGE Fc1cc([C@@H](Br)c2ccc(Br)cc2F)c(F)cc1Br 70474491 QTJGVCJVPCSMDM-ZDUSSCGKSA-N 458.897 6.113 50 10 JKGE BrC[C@H](Cc1cccc(Br)c1)Cc1cc(Br)cs1 97184735 PJQRLLXGQMWZIM-LLVKDONJSA-N 453.037 6.069 50 10 JKGE CCOc1ccc(N2C(=O)[C@@H](Cc3ccc(F)cc3)S/C2=C(/C#N)C(=O)Nc2ccccc2)cc1 101244694 UXYBFPKCEMTKHB-NLTRVXJZSA-N 487.556 5.289 50 10 JKGE CCOc1ccc(Br)cc1[C@H](Cl)c1cccc(I)c1 109827279 LLEKUSBPZCOLQP-OAHLLOKOSA-N 451.529 5.781 50 10 JKGE O=c1[nH]c2cc(Br)c([C@@H](Br)c3cc(F)ccc3Br)cc2[nH]1 109884164 MGQDORCDKLIATL-ZDUSSCGKSA-N 478.941 5.005 50 10 JKGE COc1c(C)cc(Br)c(C)c1[C@H](Br)c1ccc(Cl)c(Cl)c1 125763691 VWCLHZSQZFOZBM-OAHLLOKOSA-N 453.001 6.866 50 10 JKGE COc1cc(C)c(Br)cc1[C@H](Cl)c1cc(Br)ccc1Br 161109334 VZFOLNYMIUQLPN-OAHLLOKOSA-N 483.425 6.619 50 10 JKGE CCOc1ccc(Br)cc1[C@H](Br)c1cc(C)ccc1Br 161762442 PLPDCQHHCOCEGG-MRXNPFEDSA-N 463.007 6.403 50 10 JKGE N#C/C(=C/Nc1ccc(I)cc1)C(=O)Nc1cccc(Cl)c1Cl 217128999 FPKBYSVVVWNADC-KTKRTIGZSA-N 458.086 5.056 50 10 JKGE Fc1cc(Br)cc(F)c1[C@@H](Br)c1cc(Br)cc2c1OCC2 228442329 BRPIEJHTTSAWRX-AWEZNQCLSA-N 482.944 5.909 50 10 JKGE O=C(c1cc(Br)sc1Br)N1CCCCC[C@@H]1CBr 232458472 NMCCUJPNRJUBIW-MRVPVSSYSA-N 460.029 5.053 50 10 JKGE Cc1ccc([C@@H](Br)c2cc(Br)sc2Br)c(Cl)c1 235921184 AADGHDYEMNFLDZ-LLVKDONJSA-N 459.428 6.719 50 10 JKGE Clc1cc2c(c([C@H](Cl)c3cc(Br)ccc3I)c1)OCC2 236038633 VAUDSXSEAFGWSX-CQSZACIVSA-N 483.958 5.970 50 10 JKGE Clc1cc(Br)ccc1Oc1ccc(CBr)cc1Br 236044619 FRLTYMHAUBEYQE-UHFFFAOYSA-N 455.371 6.552 50 10 JKGE Clc1ccc([C@H](Br)c2csc3c(Br)cccc23)cc1Br 236053672 JPKYJRBRYILNKC-AWEZNQCLSA-N 495.461 7.564 50 10 JKGE CCCCCCCCOc1ccc(OCC(=O)NN=Cc2ccccc2OC(=O)CC)cc1 254827073 HARPQDHLKWYRRZ-UHFFFAOYSA-N 454.567 5.270 50 10 JKGE CCCCCCCCC(=O)NN=Cc1ccc(OC(=O)c2ccc(OCC)cc2)c(OC)c1 254861846 GSCNPHVTPVXQET-UHFFFAOYSA-N 454.567 5.514 50 10 JKGE O=C(CSc1nc2ccccc2s1)NN=Cc1ccccc1OCc1cccc2ccccc12 263629815 JISIKHJKLFWJLW-UHFFFAOYSA-N 483.618 6.271 50 10 JKGE Cc1cc(C)c([C@@H](Br)c2cnn(C)c2Br)c(C)c1Br 379143799 BWVIKKMJELLJHK-ZDUSSCGKSA-N 451.000 5.355 50 10 JKGE Cc1cc(Br)c([C@H](Br)c2coc(Br)c2)cc1Br 393930501 FRAWFLIEHAORCH-GFCCVEGCSA-N 487.811 6.360 50 10 JKGE Clc1cc(-c2c(Cl)c(Cl)c(Cl)c(Cl)c2Cl)ccc1CBr 514252799 XPSZBAKGAXVALO-UHFFFAOYSA-N 453.805 8.169 50 10 JKGE BrCC(CBr)(Cc1ccc(Br)s1)C1CCOCC1 696854089 RBOYEKCRQGYAGU-UHFFFAOYSA-N 461.057 5.256 50 10 JKGE O=C(c1scc(Br)c1Br)N(CCCBr)C1CCC1 705407991 DVDPPWZZKUOVCN-UHFFFAOYSA-N 460.029 5.053 50 10 JKGE COc1ccc([C@@H](Br)c2cccc(F)c2I)c(Cl)c1 721684140 LEUMTGLWKFODHZ-CYBMUJFWSA-N 455.492 5.577 50 10 JKGE Cc1cc(Br)c([C@@H](Br)c2sc(C)c(Br)c2C)cc1Cl 724916124 ULLFPCLGTOVZHQ-CYBMUJFWSA-N 487.482 7.336 50 10 JKGE Cc1ccc(-n2c(C)c(Br)c(C=NNC(=O)c3cc4ccccc4cc3O)c2C)cc1C 1084235648 VJSFVACNUMGKRZ-UHFFFAOYSA-N 490.401 6.096 50 10 JKGE Cc1c(C(=O)Nc2ccc(F)cc2F)oc2c1C(=NNC(=O)c1ccc(Cl)cc1Cl)CCC2 1772745544 DTUZEFZANMEMAX-UHFFFAOYSA-N 492.309 5.896 50 10 JKGE O=C(CCBr)Nc1ccc(Oc2ccc(NC(=O)[C@H]3CCCC[C@@H]3C(=O)O)cc2)cc1 1859504662 BUSPSCBLCJPIBA-PMACEKPBSA-N 489.366 5.032 50 10 JKGE COc1ccc(-c2nn(-c3ccc(Cl)cc3)c3c2[C@@H](c2ccccc2)C(C#N)=C(N)O3)cc1 1865680777 VSOBSJFQZVMWGV-QFIPXVFZSA-N 454.917 5.419 50 10 JKGE N#CC1=C(N)Oc2c(c(C(F)(F)F)nn2-c2ccccc2Cl)[C@H]1c1ccc(Cl)c(Cl)c1 1865685120 FYLSMOZOXDACEZ-HNNXBMFYSA-N 485.680 6.069 50 10 JKGE CCCn1nc(C)c2c1OC(N)=C(C#N)[C@@H]2c1ccc(OCc2c(Cl)cccc2Cl)c(OC)c1 1865689967 XXADDKJFHUCSDV-QHCPKHFHSA-N 499.398 5.714 50 10 JKGE COc1cc([C@H]2C(C#N)=C(N)Oc3c2c(-c2ccccc2)nn3C)ccc1OCc1ccc(Cl)cc1 1865701190 OQNOTMODMJDHHX-DEOSSOPVSA-N 498.970 5.546 50 10 JKGE N#CC1=C(N)Oc2c(c(-c3ccccc3)nn2-c2ccc(Cl)cc2)[C@H]1c1ccc(F)cc1F 1865702424 VJWORYWPISTPLR-NRFANRHFSA-N 460.871 5.689 50 10 JKGE CCCc1nn(-c2ccc(Cl)c(Cl)c2)c2c1[C@@H](c1cccc(OC)c1)C(C#N)=C(N)O2 1865711848 JATOTVGPBKIOEV-FQEVSTJZSA-N 455.345 5.358 50 10 JKGE CCCOc1ccc(C/C(O)=C(\C#N)c2nc(-c3cc(C(C)C)c(OC)cc3C)cs2)cc1 1872751338 CIEDSCWXIBKGIV-BZZOAKBMSA-N 462.615 7.075 50 10 JKGE CC(C)c1ccc(-c2csc(/C(C#N)=C(\O)CCCN3C(=O)c4ccccc4C3=O)n2)cc1 1872752221 RYKBJLGQTFAPPE-LNVKXUELSA-N 457.555 5.803 50 10 JKGE CCOc1ccc(OCC)c(-c2csc(/C(C#N)=C(\O)[C@@H](C)N3C(=O)c4ccccc4C3=O)n2)c1 1872754810 JZTWYQDMZQPIRK-LYLVPTPKSA-N 489.553 5.085 50 10 JKGE Cc1ccc(C(C)(C)C)cc1-c1csc(/C(C#N)=C(\O)c2c(Cl)ccc(Cl)c2Cl)n1 1872755702 ASKLFWFXBGADPN-QNGOZBTKSA-N 477.844 8.326 50 10 JKGE Cc1ccc(C(C)(C)C)cc1-c1csc(/C(C#N)=C(\O)[C@H](C)Oc2ccc(C(C)C)cc2)n1 1872756239 VOTCQFHBVRTXCT-BOKVAXDPSA-N 460.643 7.800 50 10 JKGE COc1ccc(-c2csc(/C(C#N)=C/c3ccc(OC(=O)c4ccccc4)c(OC)c3)n2)cc1 1872784721 XVOVEFFJHKIEIU-KGENOOAVSA-N 468.534 6.111 50 10 JKGE CCCOc1ccc(-c2csc(/C(C#N)=C(\O)Cc3ccccc3OC)n2)cc1OCCC 1872817983 GSZXBHKDKSBOCD-XDOYNYLZSA-N 464.587 6.432 50 10 JKGE Cc1ccc(COc2cccc(/C=N/NC(=O)CCCCCNC(=O)OC(C)(C)C)c2)cc1 1873795419 IKAZRXOGGSKBOZ-MTDXEUNCSA-N 453.583 5.109 50 10 JKGE Clc1cc(Br)c(CC(CBr)(CBr)C2CC2)s1 1903673206 JCMIVNAOUOVTLU-UHFFFAOYSA-N 451.449 5.893 50 10 JKGE Cc1nsc(Br)c1[C@H](Cl)c1cc(Br)ccc1Br 1912968784 FKEQKUAFJHQURJ-SNVBAGLBSA-N 460.416 6.067 50 10 JKGE C[C@@H](Br)CN(Cc1ccccc1)C(=O)c1cc(Cl)ccc1I 1914612709 KXCUHFDNYCBGRS-GFCCVEGCSA-N 492.582 5.370 50 10 JKGE CC(C)[C@H](CBr)N(Cc1ccccc1)c1nc2cc(Br)ccc2o1 1915328925 LHVXSEMOLIXRSK-KRWDZBQOSA-N 452.190 6.016 50 10 JKGE CC(C)c1ccccc1[C@@H](Br)c1sc(Br)cc1Br 1922880510 DULOEIDRUQDMGY-CYBMUJFWSA-N 453.037 6.881 50 10 JKGE Clc1c(Br)sc(Br)c1[C@H](Br)[C@@H]1[C@H]2CCOC[C@@H]21 1923072350 OIYHLIHYQKDWFV-LZCNBPATSA-N 465.432 5.645 50 10 JKGE Cl[C@@H](c1c(Br)sc(Br)c1Br)C1CC2(CCCO2)C1 1924568810 LWJUBPQNLYDXGR-ATZMEGNHSA-N 479.459 6.275 50 10 JKGE CCCC[C@H](Br)c1c(Br)sc(Br)c1Br 1924575982 IFHAKLSDNUANAG-YFKPBYRVSA-N 469.862 6.662 50 10 JKGE CC1(C)C[C@@H]([C@H](Cl)c2c(Br)sc(Br)c2Br)C(C)(C)O1 1924611700 DXROTMBDHKRFLJ-RCOVLWMOSA-N 495.502 6.909 50 10 JKGE Fc1ccc(F)c([C@H](Br)c2c(Cl)sc(Br)c2Cl)c1F 1925559400 BKDADNAQBDVRIE-ZETCQYMHSA-N 454.920 6.719 50 10 JKGE Clc1sc(Cl)c([C@H](Cl)c2cccc(Br)c2Br)c1Cl 1925562620 ZDHIIMZPTRRPFN-MRVPVSSYSA-N 469.840 7.562 50 10 JKGE O=C(N[C@H](CBr)CC1CCCCC1)c1cc(Br)sc1Br 1926774439 CFIHISSERGKYFF-JTQLQIEISA-N 488.083 5.737 50 10 JKGE Brc1csc([C@H]2CCC[C@@H](CI)O2)c1Br 1930750007 RSDGYFXAHBYPSZ-POYBYMJQSA-N 465.976 5.318 50 10 JKGE Cc1csc([C@H](Br)c2cc(Br)c(Cl)s2)c1Br 1939884388 ZPFSYQGRJDUOAR-MRVPVSSYSA-N 465.457 6.781 50 10 JKGE Cl[C@H](c1c(Br)sc(Br)c1Br)[C@H]1[C@H]2[C@H]3C[C@@H]1C[C@H]32 2016551802 HSJFDZLTBDVFQB-MJUHJYIFSA-N 461.444 6.218 50 10 JKGE CCc1sc(Br)cc1[C@H](Cl)Cc1ccccc1I 2030214686 AFVOLVIGPGXVLZ-LLVKDONJSA-N 455.586 6.200 50 10 JKGE Cl[C@@H](Cc1cccc(Br)c1)c1cccc(Br)c1Br 2031483231 BDOPVXSJBWTREC-ZDUSSCGKSA-N 453.399 6.497 50 10 JKGE Clc1cccc(Br)c1[C@@H](Br)Cc1cccc(Br)c1 2050320099 QJQGUZBNLOGLAV-LBPRGKRZSA-N 453.399 6.544 50 10 JKGE FC(F)(F)C1([C@@H](Br)c2sc(Br)cc2Br)CCCC1 2052995942 DDOARMCNSOMUAE-VIFPVBQESA-N 470.974 6.832 50 10 JKGE C[C@H](c1cccs1)N(Cc1ccccc1)S(=O)(=O)CCC(F)(F)CBr 2059386630 NURXZMANNFGEDM-CQSZACIVSA-N 452.386 5.061 50 10 JKGE COc1cc(Cl)c([C@@H](Br)c2ccoc2Br)cc1Br 2082377357 QCNAQIAZWJNTGM-NSHDSACASA-N 459.359 5.951 50 10 JKGE CC(C)Cc1ccc([C@H](Cl)c2cc(I)ccc2Br)s1 2087337776 GIMYJWXRZAGEKG-OAHLLOKOSA-N 469.613 6.642 50 10 JKGE Brc1scc([C@H](Br)Cc2nc3ccccc3o2)c1Br 2093942668 XUIIRYBUEGQCSV-MRVPVSSYSA-N 465.992 6.093 50 10 JKGE ClCCc1nc2cc(Br)c(Cl)cc2n1[C@H]1CC[C@@H]1OCc1ccccc1 2103807990 QOPQVZNJCUGDLH-HKUYNNGSSA-N 454.195 6.154 50 10 JKGE FC1(F)CCC2(CC1)C[C@@H]2[C@H](Br)c1cc(Br)c(Br)s1 2107093378 VEOUHIPONZBCSA-XCBNKYQSSA-N 479.022 6.925 50 10 JKGE CCn1cc(Br)c(C[C@H](CBr)c2ccccc2Br)n1 2124745897 PGBCNOHGHSRYDM-SNVBAGLBSA-N 451.000 5.149 50 10 JKGE Cc1cc(Br)c(C)c([C@H](Br)C2CCCCCC2)c1Br 2136378866 GHEAXNIRHGNYKK-MRXNPFEDSA-N 453.056 7.235 50 10 JKGE COc1c(Cl)cc(Br)cc1[C@H](Br)c1cc(Br)n(C)n1 2138255992 QLXVXSBDYDRLOM-NSHDSACASA-N 473.390 5.091 50 10 JKGE Cc1cc([C@@H](Cl)[C@H](C)c2ccncc2Br)ccc1I 2142105350 COBMCYJDOVOJCM-BMIGLBTASA-N 450.545 5.841 50 10 JKGE Clc1cc(CC[C@H](Br)CN2CCCCC2)ccc1I 2142938491 ZDBHOYKKMNSVOR-ZDUSSCGKSA-N 456.593 5.127 50 10 JKGE Clc1cc(CN2CC[C@@]3(CCC[C@@H]3Br)C2)ccc1I 2142951302 ZAUZELBEAURECM-GJZGRUSLSA-N 454.577 5.084 50 10 JKGE C[C@H]1Cc2cc(Br)cc([C@H](Cl)c3cc(Br)c(Cl)s3)c2O1 2172560977 WAQKWCDKEXMCMH-QTTZVWFDSA-N 457.014 6.578 50 10 JKGE FC(F)(F)c1ccc([C@H](Br)c2cc(Cl)c(Br)s2)c(Cl)c1 2179251218 BPZJYOAGBCGJST-JTQLQIEISA-N 468.947 7.321 50 10 JKGE Cc1cc(Cl)c(Br)cc1[C@H](Br)c1c(F)cc(Br)cc1F 2202353341 RGVLRMDGGVODLC-AWEZNQCLSA-N 489.379 6.936 50 10 JKGE FC[C@]12C[C@](COc3c(Br)cc(Br)cc3CBr)(CO1)C2 2202753766 IUROIPTWOLUOON-OKILXGFUSA-N 472.974 5.004 50 10 JKGE FC1(F)CCC2(CC1)C[C@@H]2[C@H](Br)c1ccc(Br)cc1Br 2203687032 VVMHJSNHSLOVJA-DGCLKSJQSA-N 472.993 6.863 50 10 JKGE COC1(C(F)(F)F)CC([C@H](Br)c2ccc(Br)cc2Br)C1 2203704555 LLKZBHGOJBWKPT-ABKVURRNSA-N 480.944 6.005 50 10 JKGE Cc1cc([C@@H](Br)c2cc(Br)c(Br)cc2F)ccc1Cl 2225616248 DTFTUAIYHWAHRR-CQSZACIVSA-N 471.389 6.797 50 10 JKGE Fc1cc(Br)c(Br)cc1[C@H](Br)C(F)(F)[C@H]1CCOC1 2225617177 MGZGMVUAGPKUAL-KGFZYKRKSA-N 466.917 5.459 50 10 JKGE Fc1cc(Br)c(Br)cc1[C@H](Br)C(F)(F)C1CCCC1 2225617621 PUPAPWWTVXDWBM-LBPRGKRZSA-N 464.945 6.612 50 10 JKGE Cc1cc([C@H](Br)c2cc(Br)c(Br)cc2F)ccc1F 2225618500 ZMOFNBBUSCHNGH-AWEZNQCLSA-N 454.934 6.283 50 10 JKGE ClCc1nc2cc(Br)c(Br)cc2n1Cc1nccn1Cc1ccccc1 2225694196 RJZHHTKCHPFXLU-UHFFFAOYSA-N 494.618 5.593 50 10 JKGE Cc1cc(Br)c([C@@H](Br)C2CCCCCC2)c(C)c1Br 2227348228 MUPGMRCBNFJMFZ-INIZCTEOSA-N 453.056 7.235 50 10 JKGE Cc1ccc([C@H](Br)Cc2cc(Cl)cc(Cl)c2)cc1I 2232134482 WAGKCXSOXTYAOK-CQSZACIVSA-N 469.975 6.585 50 10 JKGE CC(C)C[C@H](C(C)C)[C@@H](Br)c1c(Br)cc(Cl)c(Cl)c1Cl 2232519418 KOWZKHUWDDCCDU-NOZJJQNGSA-N 465.484 8.164 50 10 JKGE FC(F)(F)Oc1ccc(Cl)cc1[C@@H](Br)c1ncsc1Br 2239621343 ZHILGDSTVTZGJI-MRVPVSSYSA-N 451.489 5.942 50 10 JKGE O=C(Nc1ccc(OC[C@H]2C[C@H]2Cl)cc1C(=O)O)OCC1c2ccccc2-c2ccccc21 2243589984 XOXGYOKBLWENBI-IQMFZBJNSA-N 463.917 5.752 50 10 JKGE Cn1nc([C@H](Br)Cc2cc(Br)cc(Br)c2)cc1Cl 2263515313 MZBJRHWDIDTCFS-SNVBAGLBSA-N 457.391 5.277 50 10 JKGE Brc1cc(Br)cc(C[C@@H](Br)c2cc3cscc3s2)c1 2277958948 MPQNSYDZLLJMMQ-GFCCVEGCSA-N 481.072 7.167 50 10 JKGE Clc1ccc([C@@H](Cl)Cc2cc(Br)cc(Br)c2)c(Br)c1 2277963267 RQUREVSYCNYHEL-AWEZNQCLSA-N 487.844 7.150 50 10 JKGE O=[N+]([O-])c1cc(Br)c(OCC2(CBr)CC(F)C2)c(Br)c1 2280374584 PLCKJRFTDICXSW-UHFFFAOYSA-N 475.934 5.012 50 10 JKGE COCc1cc(Br)c([C@@H](Cl)c2cc(Br)c(F)cc2Cl)s1 2285945843 LWDVADHNKJUGIT-LBPRGKRZSA-N 462.993 6.540 50 10 JKGE Fc1ccc(I)c(-n2c(CCl)nc3cccc(Br)c32)c1 2287305903 KSQNWMLDKVPCBO-UHFFFAOYSA-N 465.491 5.271 50 10 JKGE ClCc1nc2cc3c(cc2n1CC1(N(Cc2ccccc2)Cc2ccccc2)COC1)COC3 2287435421 NPBUCHPBKYEYSL-UHFFFAOYSA-N 474.004 5.277 50 10 JKGE COc1c(Br)cc(Cl)cc1[C@H](Cl)c1c(F)cccc1I 2295278900 IEJABJVNGIEEDG-ZDUSSCGKSA-N 489.937 6.183 50 10 JKGE CNC(=O)C(C#N)=Cc1cn(-c2ccccc2)nc1-c1ccc(OCc2ccc(Cl)cc2)cc1 2296730327 WTBKQPMVQWXTIG-UHFFFAOYSA-N 468.944 5.425 50 10 JKGE COc1cc(C=C(C#N)C(=O)Nc2ccccc2C(F)(F)F)ccc1OC(=O)c1cccs1 2297382555 UOVTXCCETDKDTM-UHFFFAOYSA-N 472.444 5.540 50 10 JKGE N#CC(=Cc1cc2ccccc2nc1Cl)c1nc(-c2cc3cc([N+](=O)[O-])ccc3oc2=O)cs1 2297449882 ZEIDMYDYEVOQPX-UHFFFAOYSA-N 486.896 6.090 50 10 JKGE Cc1c(Cl)sc(Cl)c1[C@@H](Br)c1cccc(I)c1 2299542379 IMNWIPVMYVJRSG-JTQLQIEISA-N 461.977 6.452 50 10 JKGE CCOc1cc(C=C(C#N)C(=O)Nc2cc(C)ccc2C)ccc1OCc1ccccc1Cl 2313511184 SNBWSIZNZQXBNS-UHFFFAOYSA-N 460.961 6.480 50 10 JKGE N#CC(=Cc1cc(Cl)ccc1OCc1ccccc1Cl)C(=O)Nc1ccccc1Cl 2313631870 XRKKJPCQFMEAQW-UHFFFAOYSA-N 457.744 6.771 50 10 JKGE Cc1cccc(NC(=O)C(C#N)=Cc2cc(Cl)ccc2OCc2ccc(Br)cc2)c1 2313636440 XUSPEWHQFNRLJN-UHFFFAOYSA-N 481.777 6.536 50 10 JKGE CS(=O)(=O)C1CC([C@H](Br)c2ccc(OCc3ccccc3)cc2Br)C1 2314491037 PULKUJONYHARGN-KJXMEXGPSA-N 488.241 5.287 50 10 JKGE CC(C)([C@H]1CCCO1)[C@@H](Br)c1ccc(OCc2ccccc2)cc1Br 2314503041 OLTCHEHHJFQZSX-UXHICEINSA-N 468.229 6.669 50 10 JKGE CCCOc1ccc(C=C(C#N)C(=O)Nc2sc(-c3ccccc3)cc2C(=O)OCC)cc1 2314736829 XREPXYLCGOACLE-UHFFFAOYSA-N 460.555 5.926 50 10 JKGE N#CSc1ccc(NC(=O)Oc2cccc3c(NC(=O)C=Cc4cccc(F)c4)cccc23)cc1 2327497420 OLTLMOOJTRQLJV-UHFFFAOYSA-N 483.524 6.815 50 10 JKGE CCOC(=O)c1sc(NC(=O)C(C#N)=Cc2cccc(Br)c2)nc1-c1ccccc1 2329700024 VACUFCPDEHXXFB-UHFFFAOYSA-N 482.359 5.295 50 10 JKGE COc1ccc(-c2csc(C(C#N)=C(O)CCCOc3ccc(Cl)cc3Cl)n2)cc1OC 2331242875 UGQXNQKNEWFEMV-UHFFFAOYSA-N 491.396 6.786 50 10 JKGE COc1ccc(Cl)cc1N1C[C@@H](C(O)=C(C#N)c2nc(-c3cccc(Cl)c3)cs2)CC1=O 2331294004 DFMWZIWZSRQOJX-AWEZNQCLSA-N 486.380 5.971 50 10 JKGE CC(C)CN1C(=O)c2ccc(C(O)=C(C#N)c3nc(-c4ccc(Cl)cc4)cs3)cc2C1=O 2331295874 OTSKXVHDOUVGTK-UHFFFAOYSA-N 463.946 5.665 50 10 JKGE CC[C@@H](C)N1C(=O)c2ccc(C(O)=C(C#N)c3nc(-c4cc(OC)ccc4OC)cs3)cc2C1=O 2331325232 ZZTCESIQLGAHKR-CQSZACIVSA-N 489.553 5.172 50 10 JKGE COc1cc(OC)c(-c2csc(C(C#N)=C(O)c3ccc(OC(C)=O)cc3)n2)cc1Cl 2331381068 DYDWKJJMAQPRBO-UHFFFAOYSA-N 456.907 5.356 50 10 JKGE COc1ccc(-c2csc(C(C#N)=C(O)c3ccccc3I)n2)c(OC)c1 2331386716 DVWBCMCIECLSQQ-UHFFFAOYSA-N 490.322 5.382 50 10 JKGE CCOc1ccc(-c2csc(C(C#N)=C(O)Cc3ccc(NC(C)=O)cc3)n2)c(OCC)c1 2331386987 LJQYDOQYQPCYAW-UHFFFAOYSA-N 463.559 5.601 50 10 JKGE COc1cc(C(O)=C(C#N)c2nc(-c3ccc(OC)c4ccccc34)cs2)cc(OC)c1OC 2331405016 FTYQWZAJBGADKV-UHFFFAOYSA-N 474.538 5.948 50 10 JKGE CCOc1ccccc1OCC(O)=C(C#N)c1nc(-c2ccc(OC)c3ccccc23)cs1 2331406522 VVWBFWFZTIIILM-UHFFFAOYSA-N 458.539 6.242 50 10 JKGE Cc1ccc(-c2csc(C(C#N)=Cc3ccc(OCc4ccccc4Cl)cc3)n2)c(C)c1 2331443249 CCXQXTIEBDGOSS-UHFFFAOYSA-N 456.998 7.724 50 10 JKGE COC12CCC([C@H](Br)c3ccc(OCc4ccccc4)cc3Br)(CC1)C2 2336043636 GQEWCEZROCKJLP-ITAUSPCMSA-N 480.240 6.813 50 10 JKGE CC[C@@]12CC[C@@]([C@H](Br)c3ccc(OCc4ccccc4)cc3Br)(CO1)C2 2336044617 PJKMDNQOUNYFSX-FSSWDIPSSA-N 480.240 6.813 50 10 JKGE COC[C@]12C[C@]([C@@H](Br)c3cc(Br)ccc3OCc3ccccc3)(CO1)C2 2336076550 ZTMIQIJPIKHZGX-ACRUOGEOSA-N 482.212 5.660 50 10 JKGE CC(C)C[C@@H]1C[C@H]1[C@@H](Br)c1c(Cl)cc(Br)c(F)c1Br 2337094261 NIJGWRQXZVKFRO-DNSOKLHBSA-N 477.437 7.122 50 10 JKGE C[C@@H]1OCC[C@@H]1C[C@@H](Br)c1c(Cl)cc(Br)c(F)c1Br 2337105855 BOADQDASXRBQDT-XLPZGREQSA-N 479.409 6.255 50 10 JKGE Brc1cc(Br)cc(O[C@H]2C[C@H](Br)C23CCCCC3)c1 2338855917 HOESYLBSFZHEHU-KBPBESRZSA-N 453.012 6.077 50 10 JKGE Cc1cc(Br)c(F)c(Br)c1[C@H](Br)C(C)(C)C(F)(F)F 2339679756 ORMVLZVNWGZQND-JTQLQIEISA-N 470.924 6.684 50 10 JKGE Cc1cc([C@@H](Br)c2ccc(Cl)cc2I)c(C)cc1F 2340065776 WMLOLNFBQSILRZ-HNNXBMFYSA-N 453.520 6.185 50 10 JKGE Cc1c(Br)ccc([C@@H](Br)[C@H]2C[C@@H](C(F)(F)F)C2)c1Br 2352759148 QFWKPGKGDHYLPS-SXMVTHIZSA-N 464.945 6.545 50 10 JKGE Fc1ccc(OCc2cc(Br)cc(Br)c2)c(CBr)c1Cl 2362214646 UXKQSWWOECQDSX-UHFFFAOYSA-N 487.388 6.478 50 10 JKGE CCC12COC([C@@H](Br)c3c(Cl)cc(Br)c(F)c3Br)(C1)C2 2362239380 YBJPXXVUDJWJLH-HSBZDZAISA-N 491.420 6.399 50 10 JKGE COc1c(Br)cc(C)c([C@H](Br)[C@H]2CCC[C@H](C)O2)c1Br 2365196539 NFMOKQKZHRNSEW-UFGOTCBOSA-N 471.027 5.922 50 10 JKGE CC(C)[C@H](Br)C(C)(C)NC(=O)Cc1cc(Br)cc(Br)c1 2365963319 ZLMUTNRKGKXMBW-AWEZNQCLSA-N 470.043 5.068 50 10 JKGE ClCC[C@@H](NCc1ccc(I)c(Br)c1)C1CCCCC1 2377324348 NQDCVVPOHOUEDI-MRXNPFEDSA-N 470.620 5.721 50 10 JKGE N#C/C(=C/c1ccccc1OCc1ccccc1F)C(=O)Nc1sc2c(c1C#N)CCCC2 33659976 ZIHOHOTVBXMIOI-UYRXBGFRSA-N 457.530 5.762 50 10 JKGE N#C/C(=C\c1cn(-c2ccccc2)nc1-c1ccc(Cl)cc1)c1nc(-c2ccc(F)cc2)cs1 34761556 UNFQNRUGVKFWKB-XSFVSMFZSA-N 482.971 7.519 50 10 JKGE COc1ccccc1C(=O)Oc1ccc2c(c1)OC(N)=C(C#N)[C@H]2c1ccc(Cl)cc1Cl 38655145 OLBCKQYVLOCDFO-QFIPXVFZSA-N 467.308 5.439 50 10 JKGE Cc1c(C(=O)Nc2ccc(Cl)cc2Cl)oc2c1/C(=N/NC(=O)c1cccs1)CCC2 40823648 SIZAUXGBXSUIMW-MFKUBSTISA-N 462.358 5.679 50 10 JKGE COc1cc(/C=N/NC(=O)COc2ccc(-c3ccccc3)cc2)ccc1OCc1ccc(C)cc1 40911177 WIZBFCCYWIWDQJ-ZCTHSVRISA-N 480.564 5.779 50 10 JKGE CCCCc1ccc(N(C(=O)/C(C#N)=C/c2ccc(OC)cc2)S(=O)(=O)c2ccc(C)cc2)cc1 40971397 NMTQLDFKSQOEFG-LYBHJNIJSA-N 488.609 5.675 50 10 JKGE C=CCn1c(CNc2cccc3ccccc23)nnc1SCC(=O)NN=C1CCCCCC1 59261274 XMZAPGPTNFWEQZ-UHFFFAOYSA-N 462.623 5.148 50 10 JKGE O=C(N/N=C/c1cc(Cl)cc(Br)c1O)c1cc2cc(Br)ccc2o1 59303917 ZSEBPIPPKQYCNY-IFRROFPPSA-N 472.520 5.081 50 10 JKGE Cc1cc(/C=C(\C#N)C(=O)N2CCN(c3ccccc3)CC2)c(C)n1-c1ccc(C(C)(C)C)cc1 59676779 ISKBEWQBOJROPI-LKUDQCMESA-N 466.629 5.647 50 10 JKGE O=C(N/N=C/c1cc(Br)ccc1OCc1ccc([N+](=O)[O-])cc1)c1cc2ccccc2o1 59680281 OAYLVTJNCNOVCO-DHRITJCHSA-N 494.301 5.446 50 10 JKGE COc1cc(/C=C(/C#N)c2nnc3n2CCCCC3)ccc1OCC(=O)Nc1c(C)cc(C)cc1C 89568794 DTJRDUGPZWOJBD-HMAPJEAMSA-N 485.588 5.020 50 10 JKGE COc1ccc([C@H](C(=O)NC2CCCCC2)N(Cc2ccccc2Cl)C(=O)CCl)cc1 97914305 VRARDAHHVHDWGQ-HSZRJFAPSA-N 463.405 5.106 50 10 JKGE Cc1cc(C)c(NC(=O)/C(C#N)=C\c2ccc(OC(=O)c3cccc4ccccc34)cc2)c(C)c1 98010052 RSSXEUWZHATQJY-ULJHMMPZSA-N 460.533 6.530 50 10 JKGE Cc1ccc(N/C(SCc2ccccc2F)=C(\C#N)S(=O)(=O)c2ccccc2)c(C)c1 104688968 GGLHCSKVZQVUNK-VHXPQNKSSA-N 452.576 5.954 50 10 JKGE Brc1ccc(Br)c([C@H](Br)[C@@H]2CCOc3ccccc32)c1 111187713 XDSZNBCPUUXSOZ-MLGOLLRUSA-N 460.991 6.214 50 10 JKGE Cc1ccccc1CC(CBr)(CBr)c1ccc(Br)cc1 118878613 ZZLFXDCBAVKEKO-UHFFFAOYSA-N 461.035 6.028 50 10 JKGE Clc1cc([C@@H](Cl)c2cc3c(cc2Br)OCCO3)ccc1Br 129141193 PGBRJYWGDOEZKF-OAHLLOKOSA-N 452.957 5.964 50 10 JKGE Clc1ccccc1CO[C@@H](CI)c1ccccc1Br 162014362 LGMGEFQCYFTQME-HNNXBMFYSA-N 451.529 5.795 50 10 JKGE CCCCN1C(=O)C(C#N)=C(C)/C(=C/c2cn(-c3ccccc3)nc2-c2ccc(OC)c(C)c2)C1=O 214225411 SKNWOGKLXZPJEV-JLPGSUDCSA-N 480.568 5.249 50 10 JKGE Clc1cc([C@H](Br)Cc2ccncc2Cl)ccc1I 232386654 MVPZYPXQLBEIRE-SNVBAGLBSA-N 456.936 5.672 50 10 JKGE COc1ccc([C@H](Cl)c2cc(Cl)ccc2I)c(Br)c1 234993317 IEUFNLGYLHGMCQ-AWEZNQCLSA-N 471.947 6.044 50 10 JKGE Fc1cccc(C[C@@H](Br)c2cc(Br)ccc2I)c1 236201275 NWADCZYGQUQYKV-CYBMUJFWSA-N 483.944 5.872 50 10 JKGE Fc1ccc([C@H](Cl)c2cc(Br)sc2Br)cc1Br 236263444 MTAKGXPRBAWFPI-JTQLQIEISA-N 463.391 6.503 50 10 JKGE C#CCOc1c(C=NNC(=O)c2cc3c(ccc4ccccc43)o2)cc(Br)cc1OC 252609080 HQITYTHGBFDFPY-UHFFFAOYSA-N 477.314 5.133 50 10 JKGE CCCOc1ccc(-c2cc(C(=O)NN=Cc3cccc(OC)c3OC)c3ccccc3n2)cc1 252622404 NURBWXONWIBUDJ-UHFFFAOYSA-N 469.541 5.472 50 10 JKGE O=C(NN=Cc1cc(C(F)(F)F)cc(C(F)(F)F)c1)C(O)(c1ccccc1)c1ccccc1 252622834 ODUUMKBIQTYWPP-UHFFFAOYSA-N 466.381 5.110 50 10 JKGE CSc1ccc(C=NNC(=O)c2sc3nc(-c4cccs4)cc(C(F)(F)F)c3c2C)cc1 254288162 JATANCHVMJRGKR-UHFFFAOYSA-N 491.585 6.838 50 10 JKGE CCOc1cc(C=NNC(=O)CSc2nc3ccccc3s2)cc(Br)c1OCC 254444389 NZGAHSNUIMMPBD-UHFFFAOYSA-N 494.436 5.099 50 10 JKGE CCc1ccc(OCC(=O)NN=Cc2c(OC(=O)c3ccccc3)ccc3ccccc23)cc1 254868216 QAYASHKFGCXJRS-UHFFFAOYSA-N 452.510 5.151 50 10 JKGE 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 257418114 FPFAZZFTBDKRJL-AOOYANABSA-N 496.688 6.212 50 10 JKGE biogenic FC(F)(F)CCCC(CBr)(CBr)c1ccccc1Br 396572871 GBODVIOWACRFBI-UHFFFAOYSA-N 466.961 6.209 50 10 JKGE CC(C)(C)[Si](C)(C)OCc1cccc([C@@H]2c3ccccc3CCN2S(=O)(=O)c2ccccc2)c1 616689871 JYKYETOTWDBIFK-HHHXNRCGSA-N 493.745 6.545 50 10 JKGE C[C@@H](Cl)c1nc2ccc(F)c(Br)c2n1C[C@@H]1CCCN1Cc1ccccc1 689779862 REUULYFVTDGPGQ-ZBFHGGJFSA-N 450.783 5.902 50 10 JKGE BrCc1cc(Br)ccc1N1CCC2(CCN(Cc3ccccc3)CC2)CC1 691941802 UNXDEHRDFDVGRD-UHFFFAOYSA-N 492.299 6.227 50 10 JKGE Fc1cc(Br)ccc1C[C@H](Cl)c1cc(Br)c(Br)s1 692782249 OYEKTTRVRDZAOG-VIFPVBQESA-N 477.418 6.697 50 10 JKGE BrCc1cc(Br)cc(Br)c1OC[C@@H]1CC[C@H](C2CC2)O1 715471554 VGVJQNRRMHDFTC-GXTWGEPZSA-N 469.011 5.443 50 10 JKGE CN(Cc1ccccc1)C1CCN(c2ccc(CBr)c(Br)c2)CC1 717561248 FUIMMHXPBJHXHE-UHFFFAOYSA-N 452.234 5.445 50 10 JKGE C[C@H]1Cc2cc(Br)cc([C@H](Br)c3ccc(Br)cc3)c2O1 720055919 YPTWMTKFGNZAOX-BJOHPYRUSA-N 460.991 6.019 50 10 JKGE BrCc1ccc(OCc2ccccc2)c(OCc2ccccc2)c1OCc1ccccc1 888086486 VISCSIKZNPAOEH-UHFFFAOYSA-N 489.409 7.319 50 10 JKGE CC(=NNC(=O)c1ccc(CN2C(=O)c3cccc4cccc2c34)cc1)c1ccc([S@](=N)(=O)O)cc1 915908363 UFFPBNMPXUMAFQ-UHFFFAOYSA-N 498.564 5.033 50 10 JKGE CCOc1cc(/C=C(/C#N)C(=O)Nc2ccccc2CC)ccc1OCc1ccccc1Cl 1084027235 LAFXBHXDDBCVIY-JCMHNJIXSA-N 460.961 6.426 50 10 JKGE Cc1ccc(NC(=O)/C(C#N)=C\c2cc(Cl)ccc2OCc2ccc(Cl)cc2)cc1C 1084236096 FWLKJKYDAJYZGR-NDENLUEZSA-N 451.353 6.735 50 10 JKGE COc1cc(C=NNC(=O)c2cc3ccccc3o2)c(Br)cc1OCc1ccccc1 1084300426 DVFJHZKRGMSVGR-UHFFFAOYSA-N 479.330 5.547 50 10 JKGE CCOc1ccc2nc(Sc3ccc(C=NNC(=O)COc4ccccc4C)o3)sc2c1 1084306531 BHEXEJGCGUGBRP-UHFFFAOYSA-N 467.572 5.277 50 10 JKGE COc1cc(C=NNC(=O)c2cccs2)c(Br)cc1OCc1ccccc1F 1084425797 KBYZOQCQEWVXTR-UHFFFAOYSA-N 463.328 5.001 50 10 JKGE Cc1c(C(=O)Nc2cccc(Cl)c2)oc2c1C(=NNC(=O)c1ccc(Cl)cc1Cl)CCC2 1772747110 DVRMJLHKKUMYNN-UHFFFAOYSA-N 490.774 6.271 50 10 JKGE Cc1ccccc1C(=O)NN=C1C(=O)N(Cc2ccccc2Cl)c2ccc(Br)cc21 1772752519 XRYNDHBFBKRVRE-UHFFFAOYSA-N 482.765 5.092 50 10 JKGE N#CSc1ccc(NC(=O)Oc2ccc(CNC(=O)c3ccccc3C(F)(F)F)cc2)cc1 1858909512 NMQMUDNZTRDEED-UHFFFAOYSA-N 471.460 5.819 50 10 JKGE N#CC1=C(N)Oc2c(c(-c3ccccc3)nn2-c2cccc3ccccc23)[C@H]1c1ccc(Cl)cc1 1865683031 DNLULOMDQOWRCJ-VWLOTQADSA-N 474.951 6.564 50 10 JKGE COc1ccc(-c2nn(CC(C)C)c3c2[C@@H](c2cccc(Br)c2)C(C#N)=C(N)O3)cc1 1865683222 ATAHYDCXUPLYNO-FQEVSTJZSA-N 479.378 5.195 50 10 JKGE N#CC1=C(N)Oc2c(c(C(F)(F)F)nn2Cc2ccccc2Cl)[C@H]1c1cccc(Cl)c1 1865683902 QBOGKPMCUAABBH-INIZCTEOSA-N 465.262 5.475 50 10 JKGE COc1cc([C@H]2C(C#N)=C(N)Oc3c2c(C(F)(F)F)nn3CC(C)C)ccc1OCc1ccccc1 1865687054 IHZSCRXJXHSMBK-NRFANRHFSA-N 498.505 5.364 50 10 JKGE CCc1nn(-c2ccc(OC)cc2)c2c1[C@H](c1ccc(OCc3ccc(C)cc3)cc1)C(C#N)=C(N)O2 1865693321 NCWOEWZWBNDJBO-HHHXNRCGSA-N 492.579 5.549 50 10 JKGE Cc1ccc(COc2ccc([C@H]3C(C#N)=C(N)Oc4c3c(C)nn4Cc3ccc(F)cc3)cc2)cc1 1865693641 PPEKDFWMIDSOPM-MHZLTWQESA-N 480.543 5.485 50 10 JKGE CCOC(=O)c1c(NC(=O)/C(C#N)=C/c2cccc(Br)c2)sc2c1CC[C@@H](C)C2 1866131681 IEMFHNGXQHETDU-QQFZQELXSA-N 473.392 5.358 50 10 JKGE CCN(CCC1(c2ccccc2)CCCC1)C(=O)/C(C#N)=C/c1ccc(Br)cc1 1866368194 XGRGZQDTOIQIFC-DYTRJAOYSA-N 451.408 6.107 50 10 JKGE CSCC[C@H](NC(=O)C[C@H](c1ccc(C(C)C)cc1)C(C)C)C(=O)Nc1ccc(SC#N)cc1 1866741005 LJLQMYVYMGMDFW-DQEYMECFSA-N 497.730 6.389 50 10 JKGE Cc1cc([C@@H](CC(=O)N[C@@H](C(=O)Nc2ccc(SC#N)cc2)c2ccccc2)C(C)C)ccc1F 1866767623 RQRYJFHDVNHMOZ-RPLLCQBOSA-N 489.616 6.333 50 10 JKGE CC(C)c1nc(Nc2ccc(SC#N)cc2)cc(N2CCC[C@H]2C(=O)NC2CCCCC2)n1 1868231459 HOKSEMCZRPHPDX-NRFANRHFSA-N 464.639 5.334 50 10 JKGE Cc1ccccc1-c1nc(Nc2ccc(SC#N)cc2)cc(N2CC[C@@H](c3ccco3)C2)n1 1868301287 MYOBFVQPOBMWSP-LJQANCHMSA-N 453.571 6.356 50 10 JKGE CCOc1cc(/C(O)=C(\C#N)c2nc(-c3ccc(CC)cc3)cs2)cc(OCC)c1OCC 1872744446 SEWLUZKCHLEJGX-GFMRDNFCSA-N 464.587 6.518 50 10 JKGE COc1ccc(-c2csc(/C(C#N)=C(\O)[C@@H](CCSC)N3C(=O)c4ccccc4C3=O)n2)cc1 1872745876 HVBQOALKYURFGU-DQVIVYRFSA-N 491.594 5.029 50 10 JKGE COc1ccc(C/C(O)=C(\C#N)c2nc(-c3cc(Cl)cc(C)c3OC)cs2)c(OC)c1 1872756904 GZHOQSVUUGFHKX-ZZEZOPTASA-N 456.951 5.833 50 10 JKGE COc1c(C)cc(C)cc1-c1csc(/C(C#N)=C/c2ccc(OCc3ccccc3C)cc2)n1 1872792740 PGNMVGFFDOCJNZ-BUVRLJJBSA-N 466.606 7.387 50 10 JKGE Clc1cc(Br)c(OCc2cc(Cl)sc2Cl)c(CBr)c1 1883052526 IPXSAHXOCKIDMT-UHFFFAOYSA-N 465.421 6.945 50 10 JKGE CC(C)[C@H](CCl)N(Cc1ccccc1)C(=O)c1cc(Cl)ccc1I 1915288178 GZWSEHRILCXNSO-SFHVURJKSA-N 476.185 5.850 50 10 JKGE O=C(c1cc(Br)ccc1Br)N1[C@H]2CCC[C@H]1CC(Br)C2 1922764995 LYVYHLYXKLMVHH-RYUDHWBXSA-N 466.011 5.132 50 10 JKGE FC1(F)[C@H]2C[C@@H]([C@H](Br)c3sc(Br)cc3Br)CC[C@H]21 1922893416 FRECNLQXQUJUJZ-XIVUIJJLSA-N 464.995 6.391 50 10 JKGE COC[C@@]1([C@@H](Br)c2sc(Br)c(C)c2Br)CCCO1 1922930340 RDYSKJMWJLCGBP-CMPLNLGQSA-N 463.029 5.213 50 10 JKGE Cc1c(Br)sc([C@@H](Cl)c2cc(Cl)cc(Br)c2)c1Br 1922945287 DZSIQPLYLDOUEX-JTQLQIEISA-N 493.873 7.326 50 10 JKGE Cc1c(Br)sc([C@@H](Br)[C@@H]2CC3CCC2CC3)c1Br 1922945400 FXBJDOAKQGJYKU-PTFDWCFRSA-N 457.069 6.844 50 10 JKGE Cc1ccc([C@@H](Br)c2c(Br)sc(Br)c2Cl)c(C)c1 1923038945 LXJYLXYKLQOBPU-SNVBAGLBSA-N 473.455 7.028 50 10 JKGE CCC(CC)([C@@H](Cl)c1c(Br)sc(Br)c1Cl)C(F)(F)F 1923067018 XOMOQFWOAFIQNI-ZETCQYMHSA-N 462.984 7.575 50 10 JKGE CC(C)(C)[C@@H](Br)c1c(Br)sc(Br)c1Br 1924575441 AFGGIACNWJEQPZ-LURJTMIESA-N 469.862 6.518 50 10 JKGE Brc1cc2c(c([C@@H](Br)c3csnc3Br)c1)OCCC2 1925261354 GAAOMXGXZLUYTB-LLVKDONJSA-N 468.008 5.477 50 10 JKGE FC(F)C1CC(C[C@@H](Cl)c2c(Br)sc(Br)c2Br)C1 1926949768 IPBGZBOTZAROCF-JMMWHDCWSA-N 487.429 6.997 50 10 JKGE Clc1c(Br)sc(Br)c1[C@H](Br)[C@H]1CCC2(CC2)C1 1950246111 MZMXAYDJCCZWOE-POYBYMJQSA-N 463.460 6.943 50 10 JKGE C[C@@](CCCC[C@@H]1CCSS1)(NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)O 1951708201 IASGEBOFROMRMR-NSYGIPOTSA-N 471.644 6.083 50 10 JKGE Clc1cccc(Br)c1[C@H](Cl)c1sc(Br)cc1Br 2003559491 BSKXOOMINXOOOS-JTQLQIEISA-N 479.846 7.017 50 10 JKGE CN(Cc1ccccc1)[C@H]1CCN(c2cc(Br)cc(F)c2CBr)C1 2004045997 RFXHDUKGBAULEN-INIZCTEOSA-N 456.197 5.194 50 10 JKGE COc1cc(Br)c(C)cc1[C@@H](Br)c1ncsc1Br 2029251209 HCXXSCIKICXDKD-SNVBAGLBSA-N 455.997 5.469 50 10 JKGE Brc1cc([C@H](Br)c2ncsc2Br)cc2c1OCC2 2030027479 YRIKVWZYZXWGLD-VIFPVBQESA-N 453.981 5.087 50 10 JKGE C[C@@H]1[C@@H](OCc2ccccc2)O[C@@H](CO[Si](C)(C)C(C)(C)C)[C@@H](C)[C@H]1OCc1ccccc1 2037814277 RQBNHKQEDQLOIT-JQORZIESSA-N 470.726 6.808 50 10 JKGE CCO[C@@H]1CC[C@@H]([C@H](Br)c2sc(Br)c(C)c2Br)C1 2054495397 GZRACVKKXNIZPD-KKZNHRDASA-N 461.057 6.223 50 10 JKGE CC(C)(C)OC(=O)N1CCC(CI)(OC[C@H]2C[C@H]2C2CCCC2)CC1 2079996327 SHMYQDLJICYTON-SJORKVTESA-N 463.400 5.034 50 10 JKGE Cc1cc(Br)c(C)c([C@@H](Cl)c2cc(Br)sn2)c1Br 2081059560 JDUFVUGGYKYLGV-LBPRGKRZSA-N 474.443 6.376 50 10 JKGE Brc1cccc(Br)c1[C@H](Br)c1ncn2ccsc12 2083991333 NSZXIXKEKBADQX-JTQLQIEISA-N 450.981 5.405 50 10 JKGE O=C(c1csc(Br)c1Br)N1CC[C@@H]2C[C@@H](Br)CC[C@@H]21 2093947111 PDBCOHOVRQJCBW-WEDXCCLWSA-N 472.040 5.051 50 10 JKGE Clc1c(Br)ccc(CBr)c1N1C[C@H]2C[C@@H](CN(Cc3ccccc3)C2)C1 2098118751 XAAHCQAUJKRNDJ-IRXDYDNUSA-N 498.690 5.956 50 10 JKGE Cc1nc([C@H](Cl)c2cc(I)cc3c2OCC3)c(Br)s1 2113184998 LHNABYITUGXFRQ-SNVBAGLBSA-N 470.557 5.082 50 10 JKGE Clc1sc([C@@H](Cl)c2csc3c(Br)cccc23)cc1Br 2115942464 LXSXMBNMVQJWNC-NSHDSACASA-N 457.039 7.469 50 10 JKGE Cc1c(Br)ccc([C@H](Br)c2ccc(F)c(Cl)c2)c1Br 2138852188 MRABLQDGSMDQTF-CQSZACIVSA-N 471.389 6.797 50 10 JKGE FC1(F)CCC[C@H]1CCOc1c(Br)cc(Br)cc1CBr 2144194613 BGMCXJVSXBYXEK-JTQLQIEISA-N 476.981 6.311 50 10 JKGE COc1cccc(CBr)c1OCc1cccc(Br)c1Br 2148750025 JYWKVJSPLLNFMG-UHFFFAOYSA-N 464.979 5.694 50 10 JKGE O=C1Cc2cc([C@H](Br)c3scc(Cl)c3Cl)c(Br)cc2N1 2152524881 YAMXKRXGPLXBJG-NSHDSACASA-N 455.986 5.796 50 10 JKGE Cc1ccc(Br)c(C[C@@H](CBr)Cc2cccc(Br)c2)n1 2169029209 YWAWZCRDGILKNJ-ZDUSSCGKSA-N 462.023 5.711 50 10 JKGE C[C@@H]1CN(C(=O)c2cc(Br)ccc2Br)CC[C@H]1CCBr 2172479329 ZMDKUGXXPIZWGM-GHMZBOCLSA-N 468.027 5.095 50 10 JKGE CCn1cc(Br)c(COc2c(Br)cc(Cl)cc2CBr)n1 2181150849 LYSPCFVNFGHSPI-UHFFFAOYSA-N 487.417 5.555 50 10 JKGE C[C@@H]1C[C@@H](n2c(CCCl)nc3cc(I)ccc32)CN(Cc2ccccc2)C1 2184261517 YHQXEICTTPXYTO-VQIMIIECSA-N 493.820 5.505 50 10 JKGE COc1cc(Cl)c([C@@H](Cl)c2cc(Br)ccc2Cl)cc1Br 2202343024 DCINXVTYQZLSFE-AWEZNQCLSA-N 459.392 6.855 50 10 JKGE COc1cc(Cl)c([C@@H](Br)c2cc(Br)ccc2F)cc1Br 2202351351 ITXQBEOWZNFNID-CQSZACIVSA-N 487.388 6.497 50 10 JKGE COc1ccc([C@@H](Cl)c2cc(Br)cc(Br)c2)c(Cl)c1Cl 2203447525 JYKJBLYRHYMHIL-LBPRGKRZSA-N 459.392 6.855 50 10 JKGE COc1c(C)cc(Br)cc1[C@@H](Cl)c1cccc(Br)c1Br 2206598518 NJAHBFULUVWDEB-AWEZNQCLSA-N 483.425 6.619 50 10 JKGE COc1sc([C@@H](Br)c2sc(C)c(Br)c2C)cc1Br 2218965064 MTMHTEDRLHILCT-SNVBAGLBSA-N 475.065 6.444 50 10 JKGE BrC[C@@H](Cc1ccccc1Br)Cc1ncsc1Br 2219010378 DHUWWWXGPOENSM-VIFPVBQESA-N 454.025 5.464 50 10 JKGE CCCCCCCCCCCO[C@H]1CN(C(=O)OC(C)(C)C)C[C@@H]1I 2223236104 YCIORPXSHBQXSF-ROUUACIJSA-N 467.432 5.957 50 10 JKGE Clc1cc(Cl)cc(C[C@H](Br)c2csc(Br)c2Br)c1 2223996567 MMTIQMJHHSGCKN-JTQLQIEISA-N 493.873 7.259 50 10 JKGE Cc1nn(C)c([C@H](Br)c2c(Br)sc(Br)c2Cl)c1Cl 2224018799 OTNXHXQAIBSMCK-RXMQYKEDSA-N 497.865 6.106 50 10 JKGE COc1ccccc1[C@H](Br)c1cc(Br)c(Br)cc1F 2225615511 IDVUTLUMJGAVNS-AWEZNQCLSA-N 452.943 5.844 50 10 JKGE Fc1cc(Br)c(Br)cc1[C@@H](Br)c1c(F)cccc1Cl 2225615967 BSJPZVIWJJMMFL-CYBMUJFWSA-N 475.352 6.628 50 10 JKGE Fc1cc(Br)c(Br)cc1[C@H](Br)[C@H]1CC2(CCC2)CO1 2225619870 OEEXYCDJCYERAW-OLZOCXBDSA-N 456.975 5.746 50 10 JKGE Cc1cc(Br)c([C@H](Br)C(C)(C)C(C)(F)F)c(C)c1Br 2227361017 YWBJARQNAYTSBP-LBPRGKRZSA-N 462.998 6.946 50 10 JKGE BrC[C@@H]1C[C@H]2CCCC[C@H]2N1c1ncc(Br)cc1Br 2231989548 FPISXUCFSUGKQX-SUZMYJTESA-N 453.016 5.139 50 10 JKGE Cc1cc(Br)c([C@H](Br)C2CC(C(F)F)C2)c(C)c1Br 2232343086 DASHRZQJDPRBJI-KJHLLKJSSA-N 460.982 6.556 50 10 JKGE Fc1c(Br)cccc1[C@@H](Cl)c1c(Br)cc(Cl)c(Cl)c1Cl 2232513859 SITIDEULKXQYOR-SNVBAGLBSA-N 481.801 7.639 50 10 JKGE Cc1cc(Br)c([C@@H](Br)C2(S(C)(=O)=O)CCC2)c(C)c1Br 2235600671 RKTNRJCFGZCPST-CYBMUJFWSA-N 489.067 5.232 50 10 JKGE Cl[C@H](c1c(Br)sc(Br)c1Br)[C@@]12CCCC[C@H]1CC2 2260512499 ONPICPJMVKPZIE-JVQVWZCXSA-N 477.487 7.286 50 10 JKGE Fc1cc(Br)c(Br)cc1[C@H](Br)[C@@H]1CCC(F)(F)C1 2263340207 LBJWBVOYUSPRSP-KSBSHMNSSA-N 450.918 6.222 50 10 JKGE COc1ccc([C@H](Br)c2ccc(C)cc2Br)cc1I 2269541849 JIIIRXILNBRVOD-HNNXBMFYSA-N 495.980 5.855 50 10 JKGE Fc1ccc([C@@H](Br)c2c(F)cc(Br)c(F)c2Br)cc1 2272850408 UXCYXCVFXBNZPQ-LLVKDONJSA-N 458.897 6.113 50 10 JKGE FC(F)(F)CC1([C@@H](Br)Cc2cc(Br)cc(Br)c2)CC1 2277946180 BHGFXLKJGUMNLL-NSHDSACASA-N 464.945 6.250 50 10 JKGE Fc1cc(Br)cc([C@@H](Cl)Cc2cc(Br)cc(Br)c2)c1 2277963443 UUEGLXFBRNTPPB-AWEZNQCLSA-N 471.389 6.636 50 10 JKGE COc1c([C@H](Cl)c2c(C)c(Br)cc(C)c2Br)csc1Cl 2284306970 YGGNCSJBSVOFLB-LBPRGKRZSA-N 459.030 6.880 50 10 JKGE COc1ccc([C@H](Br)c2cc(Cl)c(Cl)cc2C)cc1I 2286464038 XHVJHMGMYJTNBG-HNNXBMFYSA-N 485.974 6.399 50 10 JKGE CC(C)(C)c1ncc2nc(CCCl)n(CCCN(Cc3ccccc3)Cc3ccccc3)c2n1 2286639730 NIVCVPIIBWCBFK-UHFFFAOYSA-N 476.068 5.998 50 10 JKGE CC[C@@H](CC(F)(F)F)[C@H](Br)c1c(F)cc(Br)c(F)c1Br 2288346960 OEYPJWIOKWBKJT-CDUCUWFYSA-N 488.914 6.904 50 10 JKGE COc1cc(C=C(C#N)C(=O)Nc2cccc(C(F)(F)F)c2)ccc1OC(=O)c1ccc(C)cc1 2294510950 BELKHIMGTZMJLA-UHFFFAOYSA-N 480.442 5.787 50 10 JKGE COc1ccc(OC)c(NC(=O)C(C#N)=Cc2ccc(COc3cccc(C(F)(F)F)c3)o2)c1 2295631749 YIWBQJNYOPBDHS-UHFFFAOYSA-N 472.419 5.440 50 10 JKGE CC(=O)c1cccc(NC(=O)C(C#N)=Cc2cccc(OCc3cccc(Br)c3)c2)c1 2295672356 PQGHSBKCCAJLBK-UHFFFAOYSA-N 475.342 5.776 50 10 JKGE CCc1ccc(Oc2nc3ccccn3c(=O)c2C=C(C#N)c2nc3ccccc3s2)cc1 2296723140 CRKBJZIMHXVMGW-UHFFFAOYSA-N 450.523 5.723 50 10 JKGE Fc1c(Br)cc(Cl)c([C@H](Br)CCC(F)F)c1Br 2300169715 BKHZXXGNWRARBJ-SCSAIBSYSA-N 459.325 6.485 50 10 JKGE CC[C@@H](C)N(CCBr)Cc1ccc(I)c(Br)c1 2306218690 CXDXRTZDIVIJEM-SNVBAGLBSA-N 475.006 5.049 50 10 JKGE Brc1ccc(OCc2ccccc2)c([C@H](Br)[C@@H]2C[C@@H]3O[C@H]2[C@H]2C[C@@H]32)c1 2314454598 HMUGMSWDPLPRHC-DKRKXHFESA-N 464.197 5.888 50 10 JKGE COc1ccc(-c2nn(-c3ccccc3)cc2C=C(C#N)S(=O)(=O)c2ccc(C)c(C)c2)cc1 2314522812 ZMHQPXMJEMCUHF-UHFFFAOYSA-N 469.566 5.503 50 10 JKGE Cc1cccc(NC(=O)C(C#N)=Cc2c(Oc3ccccc3Cl)nc3c(C)cccn3c2=O)c1 2314533230 PRUQBEVTPNSDSL-UHFFFAOYSA-N 470.916 5.303 50 10 JKGE CCc1ccc(Oc2nc3ccccn3c(=O)c2C=C(C#N)C(=O)Nc2ccc(C)c(C)c2)cc1 2314533330 QCBLNCNMPZLPKF-UHFFFAOYSA-N 464.525 5.212 50 10 JKGE CCOc1cc(C=C2C(=O)N(Cc3ccc(OC)cc3)C(=O)C(C#N)=C2C)ccc1OCCC(C)C 2314616944 NLIPBBHTHLGWLU-UHFFFAOYSA-N 488.584 5.311 50 10 JKGE CC1=C(C#N)C(=O)N(Cc2ccco2)C(=O)C1=Cc1cn(-c2ccccc2)nc1-c1ccc(C)cc1 2314618282 KPNFUGPTQDILEH-UHFFFAOYSA-N 474.520 5.233 50 10 JKGE N#CC1=C(N)Oc2cc(OC(=O)C=Cc3ccc(Cl)cc3)ccc2[C@@H]1c1cccc2ccccc12 2314634648 SONFDRNNUDOZCZ-NDEPHWFRSA-N 478.935 6.330 50 10 JKGE Cc1cc(Br)c(F)c(Br)c1[C@H](Br)C(F)(F)C(C)C 2317403336 NHTKTAGDXHLKAE-NSHDSACASA-N 452.934 6.386 50 10 JKGE CC[C@H]1[C@@H](CBr)CCN1Cc1ccc(I)c(Br)c1 2325222417 KVDOAGNYUZXPIP-RISCZKNCSA-N 487.017 5.049 50 10 JKGE CN(Cc1ccc(I)c(Br)c1)[C@H](CBr)CC1CC1 2325229850 QAYXHJFGULMRBQ-LBPRGKRZSA-N 487.017 5.049 50 10 JKGE Cc1sc(NC(=O)C(C#N)=Cc2cccc(Cl)c2)nc1-c1ccc(Br)cc1 2329687400 ISEFEYFUMKRCBG-UHFFFAOYSA-N 458.768 6.080 50 10 JKGE Cc1cc(OCCCC(O)=C(C#N)c2nc(-c3ccccc3Cl)cs2)cc(C)c1Cl 2331266787 HVFAZQHFSXZHLN-UHFFFAOYSA-N 459.398 7.386 50 10 JKGE CCc1ccc(OCCCC(O)=C(C#N)c2nc(-c3ccccc3)cs2)c(Br)c1 2331304030 IAHXKZQZVHXLCT-UHFFFAOYSA-N 469.404 6.787 50 10 JKGE COc1c(C)cc(C)cc1-c1csc(C(C#N)=C(O)[C@H]2CC(=O)N([C@@H](C)c3ccccc3)C2)n1 2331373283 VLDFTJBMZYRZIN-ICSRJNTNSA-N 473.598 5.838 50 10 JKGE COc1cc(Cl)c(C)cc1-c1csc(C(C#N)=C(O)C=Cc2ccc3c(c2)OCCO3)n1 2331390590 QNSSSQOFHACWML-UHFFFAOYSA-N 466.946 6.058 50 10 JKGE COc1c(C)cc(Cl)cc1-c1csc(C(C#N)=C(O)c2cc([N+](=O)[O-])c(C)c([N+](=O)[O-])c2)n1 2331393667 CPZYFQSVKYPUCG-UHFFFAOYSA-N 486.893 5.855 50 10 JKGE COc1cc(C=C(C#N)c2nc(-c3cccc(Cl)c3)cs2)ccc1OCCN1CCOCC1 2331439760 KENLHQAZTFENDJ-UHFFFAOYSA-N 482.005 5.247 50 10 JKGE N#CC(=Cc1cc(Br)ccc1O)c1nc(-c2ccc(Oc3ccccc3)cc2)cs1 2331464539 OSUHADYVWOZLKC-UHFFFAOYSA-N 475.367 7.135 50 10 JKGE Cc1cc(Br)c([C@@H](Br)c2c(Cl)sc(Cl)c2C)cc1Cl 2336093764 KVYGTITVBCXMPS-LLVKDONJSA-N 463.449 7.572 50 10 JKGE CCCC1([C@@H](Br)c2c(Cl)cc(Br)c(F)c2Br)CCC1 2337086482 MSRAPGAKMIRDHO-ZDUSSCGKSA-N 477.437 7.411 50 10 JKGE Cn1nc(Br)c(Br)c1[C@@H](Br)c1ccc(F)c(Cl)c1F 2338720227 PCDAAECGKDSPCO-LURJTMIESA-N 479.344 5.361 50 10 JKGE ClCc1c(Oc2cc(Br)cc(I)c2)nc2sccn12 2338883412 QHDDBQOYQFBFNR-UHFFFAOYSA-N 469.529 5.294 50 10 JKGE COc1sccc1[C@H](Br)c1c(C)cc(Br)c(F)c1Br 2339653382 ISELZOWROWBCOK-JTQLQIEISA-N 472.999 6.214 50 10 JKGE Fc1cccc(OCc2cc(I)ccc2Br)c1CBr 2341778045 ATDPCAIVDLCHJU-UHFFFAOYSA-N 499.943 5.667 50 10 JKGE O=C(Nc1ccc(CBr)c(F)c1)c1cc(Br)sc1Br 2341936296 GNNKVDPFTCLEFU-UHFFFAOYSA-N 471.971 5.559 50 10 JKGE Cl[C@@H]1[C@H](Cc2ccc(I)c(Br)c2)C[C@@H]2CCCC[C@@H]21 2349779250 SGFQFWPPSZXUJA-RSUWNVLCSA-N 453.589 6.030 50 10 JKGE ClC[C@H](Cc1cc(I)ccc1Cl)c1cccc(Br)c1 2352423490 HUUALLULPPCRNI-LBPRGKRZSA-N 469.975 6.272 50 10 JKGE Clc1cccc(CO[C@H](CI)c2cccc(Br)c2)c1Cl 2364801301 CNCQOWORQWQMIY-CQSZACIVSA-N 485.974 6.449 50 10 JKGE CC(C)CO[C@@H]1[C@@H](Br)C[C@H]1OCc1ccc(Cl)cc1I 2365636333 REHPFAMXHBAUAJ-NWANDNLSSA-N 473.576 5.038 50 10 JKGE Fc1cc(Br)cc(CCl)c1OCc1ccc(Cl)cc1I 2366708002 WGZGMSJXDIQTHF-UHFFFAOYSA-N 489.937 6.164 50 10 JKGE Cc1cc(Br)c(F)c(Br)c1[C@H](Br)C[C@H]1CC[C@H]1C1CC1 2368175739 AMFLUTAYVOJZLH-GRYCIOLGSA-N 469.030 6.921 50 10 JKGE COc1cc(CCl)ccc1OCc1ccc(I)c(Br)c1 2377287368 OWTKNZGBKXZPEL-UHFFFAOYSA-N 467.528 5.380 50 10 JKGE COc1ccc(/C=N/NC(=O)CCn2c(-c3ccccc3)c(-c3ccccc3)c3ccccc32)cc1 1958878 PEICXAUJIIOOOL-WEMUVCOSSA-N 473.576 6.524 50 10 JKGE O=C(NC1CCCCC1)[C@H](c1ccc(Cl)cc1)N(Cc1ccc(F)cc1)C(=O)CCCl 3035423 ICJROXHIBBOXAQ-QHCPKHFHSA-N 465.396 5.627 50 10 JKGE CC[C@H](C)c1ccccc1O[C@H](CC)C(=O)NNC(=O)COc1ccccc1-c1ccccc1 10682292 QAXZJVQOOJSYNL-GBXCKJPGSA-N 460.574 5.251 50 10 JKGE CC[C@@H](Oc1ccccc1[C@H](C)CC)C(=O)NNC(=O)c1ccc(NC(=O)c2ccccc2)cc1 10683702 UDLUTPYDPYRTAC-NTKDMRAZSA-N 473.573 5.071 50 10 JKGE Cc1ccc(N/C(SCc2ccc(F)cc2)=C(/C#N)S(=O)(=O)c2ccccc2)c(C)c1 20325199 BUWKJEVVBYGBHQ-WCWDXBQESA-N 452.576 5.954 50 10 JKGE Cc1ccc(NC(=O)/C(C#N)=C\c2cn(Cc3ccc(Br)cc3)c3ccccc23)c(C)c1 33362777 JZHHKTQKKIBDPD-STZFKDTASA-N 484.397 6.615 50 10 JKGE Cc1ccc(C)c(OCCn2cc(/C=C(\C#N)C(=O)Nc3ccc(Cl)cc3)c3ccccc32)c1 33932106 FMJXWKNYOAIREC-LTGZKZEYSA-N 469.972 6.536 50 10 JKGE CCSc1ccc(-c2nn(-c3ccccc3)cc2/C=C(\C#N)c2nc3ccccc3s2)cc1 35304612 YCEVJMFNZAVGFM-CAPFRKAQSA-N 464.619 7.325 50 10 JKGE CCOc1ccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4cccc(C)c4)ccc32)cc1OCC 38678993 JLWQFJLEJJVYJY-AREMUKBSSA-N 470.525 5.230 50 10 JKGE CCCCCOc1cccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4ccccc4[N+](=O)[O-])ccc32)c1 38684807 DNSOWNIGLCTYEY-SANMLTNESA-N 499.523 5.601 50 10 JKGE CCCCCOc1ccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4cccc(C)c4)ccc32)cc1 38685270 HFYKDIAZODLBCN-MHZLTWQESA-N 468.553 6.001 50 10 JKGE Cc1ccc2oc(C(=O)Oc3ccc4c(c3)OC(N)=C(C#N)[C@@H]4c3ccccc3Cl)c(C)c2c1 38687665 BIJRPKWDOJAOQJ-XMMPIXPASA-N 470.912 6.140 50 10 JKGE Cc1ccccc1C(=O)N/N=C1\CCCc2oc(C(=O)N3c4ccc(F)cc4CC[C@@H]3C)c(C)c21 40811475 ONGLZJCEEGTFQU-VMRBLXROSA-N 473.548 5.487 50 10 JKGE Cc1c(C(=O)Nc2cccc(Cl)c2Cl)oc2c1/C(=N/NC(=O)c1ccccn1)CCC2 40814309 XCHWZGCIAPJLBB-MZJWZYIUSA-N 457.317 5.013 50 10 JKGE Cc1c(C(=O)Nc2ccc(Cl)cc2Cl)oc2c1/C(=N/NC(=O)c1ccccc1O)CCC2 40826315 POEJUWUVIRJQRJ-WPWMEQJKSA-N 472.328 5.323 50 10 JKGE Cc1ccccc1NC(=O)c1oc2c(c1C)/C(=N/NC(=O)Cc1coc3c(C)c(C)ccc13)CCC2 40826720 TUBSRRLDPGDIRR-UQRQXUALSA-N 483.568 5.911 50 10 JKGE C=CCn1c(CNc2ccccc2)nnc1S[C@H](C)C(=O)N/N=C(\C)C12CC3CC(CC(C3)C1)C2 59261224 XSXBOIQQKFHFTP-GZNYXWGTSA-N 492.693 5.265 50 10 JKGE CCCCCCCCCCCCCCCCOC(=S)N[C@H]1CS(=O)(=O)C[C@H]1Cl 59568436 YFEGLVIVJRHYHD-UXHICEINSA-N 454.142 5.763 50 10 JKGE CCOC(=O)c1ccc(-c2ccc(/C=C(/C#N)C(=O)Nc3sc(C)c(C)c3C(=O)OCC)o2)cc1 96022266 YCPPRWCQTICVEH-UYRXBGFRSA-N 492.553 5.524 50 10 JKGE O=C(COc1ccc2ccccc2c1Br)NN=C1CCCCCCCCCCC1 100429132 YCKHBGQFTGKKBO-UHFFFAOYSA-N 459.428 6.758 50 10 JKGE N#C/C(=C/c1cccc(OCc2ccc(Cl)cc2Cl)c1)S(=O)(=O)c1ccc(Cl)cc1 103761942 JJCCHBFRLGHXJM-NHDPSOOVSA-N 478.784 6.564 50 10 JKGE Cc1cc(C)c([C@@H](Br)c2cc(Br)sc2Br)c(C)c1 104030510 DEXAOCGTQNJGBS-ZDUSSCGKSA-N 453.037 6.683 50 10 JKGE Brc1cccc([C@H](Br)c2cc3c(cc2Br)OCCCO3)c1 109865224 OZVCPXAMSRBDGU-INIZCTEOSA-N 476.990 5.857 50 10 JKGE CCOc1ccc([C@H](Br)c2cc(Br)ccc2Cl)c(Br)c1 123724480 OOIULFOELWLKBA-HNNXBMFYSA-N 483.425 6.748 50 10 JKGE Cc1cc([C@H](Br)c2cc(F)c(Br)cc2F)ccc1Br 137909362 ZRQWPMBVZWBZAE-AWEZNQCLSA-N 454.934 6.283 50 10 JKGE CCCCCCOc1ccc(/C=C(/C#N)C(=O)Nc2ccc(C(=O)OCC)cc2)cc1OC 206237234 FSGXRNAKEKPULU-PGMHBOJBSA-N 450.535 5.377 50 10 JKGE CCOc1cccc(-c2nn(-c3ccccc3)cc2/C=C(/C#N)S(=O)(=O)c2ccc(C)c(C)c2)c1 210035281 MDZFYPMERHBEKO-PKAZHMFMSA-N 483.593 5.893 50 10 JKGE Fc1cc(Br)ccc1[C@H](Br)c1cc(Br)c(Cl)s1 227846729 QBDNNKBIJIQJAH-JTQLQIEISA-N 463.391 6.550 50 10 JKGE COc1c(C)cc(Br)c(C)c1[C@@H](Br)c1cccc(Br)c1Cl 228454477 LBBDYZNXOSWMEG-AWEZNQCLSA-N 497.452 6.975 50 10 JKGE COc1c(Br)cc(Cl)cc1[C@@H](Br)c1cc(Cl)sc1Cl 234828522 ASYRQYVEIUWDQW-SNVBAGLBSA-N 465.421 6.964 50 10 JKGE C[C@@H](c1ccncc1)[C@@H](Br)c1cc(Br)ccc1I 235549288 LGLJDKZILSZECS-LKFCYVNXSA-N 480.969 5.688 50 10 JKGE Fc1ccc([C@@H](Br)c2cc(Cl)cc(Br)c2)cc1Br 236172536 QGIDRRDPKJLKMM-CYBMUJFWSA-N 457.362 6.488 50 10 JKGE Fc1cc(F)c([C@H](Br)c2ccc(Br)cc2Br)cc1F 236257199 NBVBDGHPWWKPCC-CYBMUJFWSA-N 458.897 6.113 50 10 JKGE CCCC[C@H](CC)CN(C(=O)CCl)[C@H](C(=O)N[C@@H]1CCCC[C@H]1C)c1ccccc1Cl 252584947 FANIMXBJLZMKOI-PDXXHEQOSA-N 469.497 6.360 50 10 JKGE CCOc1ccc(C(=O)Oc2ccc3ccccc3c2C=NNC(=O)c2ccc(OC)cc2)cc1 254656007 BUEFTAUTMHJSLH-UHFFFAOYSA-N 468.509 5.230 50 10 JKGE CC1(C)[C@]2(C)CC[C@@]1(C(=O)Nc1cc(C(F)(F)F)ccc1Cl)[C@@H](Br)C2=O 256019300 SHYADIYCNMHYLR-VUCTXSBTSA-N 452.698 5.456 50 10 JKGE COc1c(Br)cc(Cl)cc1[C@@H](Cl)c1sccc1I 311038144 GBZBUAJWGNKVJO-SNVBAGLBSA-N 477.976 6.105 50 10 JKGE COc1cc(COc2c(Br)cc(CBr)cc2Br)sn1 401054632 RIAKAJQCQFWRBV-UHFFFAOYSA-N 471.996 5.151 50 10 JKGE CC(C)(C)OC(=O)NCCN1c2ccccc2CC[C@H]1c1ccc(CO[Si](C)(C)C(C)(C)C)cc1 616594475 ITFMHAFLMKRGHO-SANMLTNESA-N 496.768 7.227 50 10 JKGE Fc1ccc([C@@H](Br)c2ccccc2OCc2ccccc2)c(F)c1Br 691513075 LGUGIKHWQIUFGB-SFHVURJKSA-N 468.135 6.791 50 10 JKGE CCn1cc([C@@H](Br)c2ccc(F)c(Br)c2F)nc1Br 691563577 VQPKYCKRVXCANT-VIFPVBQESA-N 458.926 5.191 50 10 JKGE Cn1nc(COc2c(Br)cc(Br)cc2CBr)cc1Cl 706166057 IDDPCXVLCZNHQE-UHFFFAOYSA-N 473.390 5.072 50 10 JKGE Clc1ccc(C[C@@H](Br)c2scc(Br)c2Br)cc1 707793276 XREDOTOQEPUZCD-SECBINFHSA-N 459.428 6.605 50 10 JKGE C[C@H]1CCCN(C(=O)c2scc(Br)c2Br)[C@H]1CCBr 707837772 GHZUXWLJRRWJPC-WPRPVWTQSA-N 474.056 5.299 50 10 JKGE ClCc1cc(Cl)cc(Br)c1OCc1ccc(Br)cc1Cl 708050637 KDWXCLXIZGTLNB-UHFFFAOYSA-N 459.392 6.836 50 10 JKGE FC(F)(F)Sc1ccc2c(I)c(CBr)sc2c1 725283784 RKIVSIDMSJZIRX-UHFFFAOYSA-N 453.086 6.013 50 10 JKGE COc1ccc(/C=C(/C#N)C(=O)Nc2ccccc2)cc1OCc1ccc(Br)cc1 1084158647 QSDSWPPKIBYDOL-UYRXBGFRSA-N 463.331 5.582 50 10 JKGE COc1cc(C=NNC(=O)c2cccc(Cl)c2)cc(Br)c1OCc1ccccc1F 1084169920 OBEAEOCPYPYABL-UHFFFAOYSA-N 491.744 5.593 50 10 JKGE Cc1cc(C)cc(-n2c(C)c(Br)c(C=NNC(=O)CSCc3ccccc3C)c2C)c1 1084220921 VPNPQHIZDFCYOZ-UHFFFAOYSA-N 498.490 6.165 50 10 JKGE O=C(COc1ccc(Br)cc1Cl)NN=C(/C=C/c1ccccc1)c1ccccc1 1084650362 PNSICTSCMDBRMT-XKMXNHMASA-N 469.766 5.715 50 10 JKGE Cc1cc(C)c(CSCC(=O)NNC(=O)c2c(-c3c(Cl)cccc3Cl)noc2C)c(C)c1 1615730905 UNXGQCOFDYYGFG-UHFFFAOYSA-N 492.428 5.576 50 10 JKGE Cc1c(C(=O)Oc2ccc(F)cc2)oc2c1C(=NNC(=O)c1ccc(-c3ccccc3)cc1)CCC2 1772746778 GXFNBFYWYAMZJR-UHFFFAOYSA-N 482.511 6.084 50 10 JKGE Cc1occc1C(=O)NN=C1CCCc2oc(C(=O)Nc3ccc(Oc4ccccc4)cc3)c(C)c21 1772749358 LWIPTMURBFAURK-UHFFFAOYSA-N 483.524 6.004 50 10 JKGE COc1cc(C=NNC(=O)COc2cc(Cl)ccc2Cl)ccc1OCCc1ccccc1 1772754405 UQJJHMLOWCWXOL-UHFFFAOYSA-N 473.356 5.153 50 10 JKGE CCc1ccc(OCC(=O)Nc2cccc3c(OC(=O)Nc4ccc(SC#N)cc4)cccc23)cc1 1858773873 PYXMOTZPSANULL-UHFFFAOYSA-N 497.576 6.604 50 10 JKGE CCCc1nn(Cc2cccc(Cl)c2)c2c1[C@H](c1cccc(Br)c1)C(C#N)=C(N)O2 1865683607 GBJRMUZOOJIMPR-HXUWFJFHSA-N 483.797 5.518 50 10 JKGE Cc1nn(-c2ccc(Br)cc2)c2c1[C@@H](c1ccc(C(C)(C)C)cc1)C(C#N)=C(N)O2 1865684560 RYWMGSRRJXOECK-NRFANRHFSA-N 463.379 5.459 50 10 JKGE CCOc1ccc([C@H]2C(C#N)=C(N)Oc3c2c(CC)nn3Cc2cc(C)ccc2C)cc1OCC 1865689161 LIJDQGQDQGHRSP-VWLOTQADSA-N 472.589 5.126 50 10 JKGE CCCn1nc(CC)c2c1OC(N)=C(C#N)[C@H]2c1ccc(OCc2ccccc2)c(OCC)c1 1865692866 GJWIMJNLUILVHZ-XMMPIXPASA-N 458.562 5.051 50 10 JKGE CCCOc1cccc([C@H]2C(C#N)=C(N)Oc3c2c(C)nn3Cc2c(F)cccc2Cl)c1 1865694211 VVKFOVWJYZSRTP-QFIPXVFZSA-N 452.917 5.039 50 10 JKGE COc1cc([C@H]2C(C#N)=C(N)Oc3c2c(C)nn3CC(C)C)ccc1OCCCc1ccccc1 1865696413 GIWARPIZRLRAOU-SANMLTNESA-N 472.589 5.086 50 10 JKGE COc1cc([C@H]2C(C#N)=C(N)Oc3c2c(C)nn3Cc2ccc(Cl)c(Cl)c2)ccc1OC(C)C 1865696724 QOCAWBRSPHMOLQ-QHCPKHFHSA-N 499.398 5.561 50 10 JKGE COc1ccc(-c2nn(-c3ccccc3Cl)c3c2[C@H](c2c[nH]c4ccccc24)C(C#N)=C(N)O3)cc1 1865699936 GZQLESINGOWZKK-DEOSSOPVSA-N 493.954 5.901 50 10 JKGE Cc1ccc(Cn2nc(-c3ccccc3)c3c2OC(N)=C(C#N)[C@@H]3c2ccccc2OC(C)C)cc1 1865704997 JXUDPAIOLYMCOJ-SANMLTNESA-N 476.580 5.912 50 10 JKGE CCCn1nc(C(F)(F)F)c2c1OC(N)=C(C#N)[C@H]2c1cccc(OCc2ccccc2)c1 1865711907 LCJOJOBUIVZBLQ-LJQANCHMSA-N 454.452 5.109 50 10 JKGE Cc1ccc(CCCC(=O)N/N=C\c2c(C(C)C)nc3c(Cl)cc(C(F)(F)F)cn23)c(C)c1 1865762471 IFOCJEKOUJCCBA-ULPWCQAASA-N 478.946 6.220 50 10 JKGE C[C@H](CC(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)Nc1ccc(SC#N)cc1)c1ccc(Cl)cc1 1866711097 XFWFMMCGYDOPNL-OSPHWJPCSA-N 494.016 5.479 50 10 JKGE COc1cc(/C=C(\C#N)n2cnc3ccccc32)ccc1OCc1ccc(Br)cc1 1872727287 MPOZBODAPZRZLF-UDWIEESQSA-N 460.331 5.908 50 10 JKGE N#C/C(=C(/O)c1ccccc1Br)c1nc(-c2ccc(Cl)cc2Cl)cs1 1872744701 DWQZGKKCVIXUGP-LGMDPLHJSA-N 452.160 6.829 50 10 JKGE CC(C)[C@@H](/C(O)=C(\C#N)c1nc(-c2ccc(Cl)c(Cl)c2)cs1)N1C(=O)c2ccccc2C1=O 1872748803 OKVKUGYODQYILX-CVVHJZTLSA-N 498.391 6.230 50 10 JKGE N#C/C(=C(/O)c1ccccc1I)c1nc(-c2ccc(Cl)c(Cl)c2)cs1 1872749228 HPFASYWFQPJJFH-ATVHPVEESA-N 499.160 6.671 50 10 JKGE C=CCOc1ccccc1OC/C(O)=C(\C#N)c1nc(-c2ccc(Cl)c(Cl)c2)cs1 1872749445 RPAJGDSAIISTFU-CYVLTUHYSA-N 459.354 6.553 50 10 JKGE CCOc1ccc(/C=C(C(/O)=C(\C#N)c2nc(-c3ccc(F)c(F)c3)cs2)\c2ccccc2)cc1 1872751326 BSLBQCPMCPWDQE-BJGRWJNTSA-N 486.543 7.520 50 10 JKGE COc1ccc(-c2csc(/C(C#N)=C(\O)CNC(=O)c3ccc(C(C)(C)C)cc3)n2)c(OC)c1 1872755471 PJHCUXDTXSWXOY-XDOYNYLZSA-N 477.586 5.347 50 10 JKGE COc1c(Cl)cc(-c2csc(/C(C#N)=C(\O)[C@H]3CC(=O)N(C(C)(C)C)C3)n2)cc1Cl 1872755809 HKUXRRRCTFWNEE-JYRXDZGKSA-N 466.390 5.565 50 10 JKGE COc1c(C)cc(Cl)cc1-c1csc(/C(C#N)=C(O)/C=C/c2ccc(C(C)C)cc2)n1 1872757173 SZVMWAFHBHRYFY-SZMIEORPSA-N 450.991 7.410 50 10 JKGE COc1cc(Br)cc(/C=C(\C#N)c2nc(-c3cccc(Br)c3)cs2)c1O 1872784556 UDEBIDBIVJHRDZ-WLRTZDKTSA-N 492.192 6.113 50 10 JKGE N#C/C(=C\c1ccccc1OCc1ccc(Cl)cc1)c1nc(-c2cc(Cl)ccc2Cl)cs1 1872794904 CNWIRNFTIYWXOE-WOJGMQOQSA-N 497.834 8.413 50 10 JKGE O=S(=O)(c1ccc(CBr)c(Cl)c1)N(Cc1ccccc1)Cc1ccccc1 1882226985 SRWMPRGVVFBUDA-UHFFFAOYSA-N 464.812 5.626 50 10 JKGE Clc1cc(I)c([C@H](Br)C2(Br)CCC2)s1 1888108777 SCIGEBNTHYOPCF-QMMMGPOBSA-N 470.395 5.760 50 10 JKGE Cc1ccc(C[C@H](Br)c2sc(Br)c(C)c2Br)cc1C 1922900721 JXRWSIYABBDTLS-LBPRGKRZSA-N 467.064 6.877 50 10 JKGE Cc1c(Br)sc([C@H](Cl)Cc2ccc(Cl)c(Cl)c2)c1Br 1922953831 HZFCYOVABFFYSQ-SNVBAGLBSA-N 463.449 7.411 50 10 JKGE Clc1c(Br)sc(Br)c1[C@@H](Br)C1Cc2ccccc2C1 1923068050 MGGJQQNBMMNNBB-NSHDSACASA-N 485.466 6.778 50 10 JKGE C[C@@H](c1ccncc1Br)[C@@H](Br)c1ccc(I)cc1 1924033718 VWHHELHHSGNVMS-LKFCYVNXSA-N 480.969 5.688 50 10 JKGE C[C@H](c1ccncc1Br)[C@@H](Cl)c1ccc(Br)cc1Br 1924044136 SUQRQIVCLXJSST-XLKFXECMSA-N 468.414 6.453 50 10 JKGE Clc1c(Br)sc(Br)c1[C@@H](Br)[C@]12C[C@H](CO1)C2 1994621985 ISFANLWFBRZCHY-XNSGURDHSA-N 451.405 5.542 50 10 JKGE Cc1c(Br)sc([C@H](Br)[C@H]2C[C@@]23CC3(F)F)c1Br 2004506212 GDJVQWPOBHKTCJ-VISXPRAWSA-N 450.968 6.063 50 10 JKGE CC(C)(C)CN(Cc1ccccc1)S(=O)(=O)c1cc(CBr)oc1Br 2009621970 LQSHKMHUKYNCCX-UHFFFAOYSA-N 479.234 5.174 50 10 JKGE C[C@@H](NCCSSCCNC(=O)OC(C)(C)C)c1ccc(NC(=O)OC(C)(C)C)cc1 2010825259 IKJFZIVEIQSNEG-MRXNPFEDSA-N 471.689 5.590 50 10 JKGE Cc1cc(Cl)c(Br)cc1[C@H](Br)c1cc(Br)cs1 2023699813 HRBFYZMBNCDAON-LBPRGKRZSA-N 459.428 6.719 50 10 JKGE Cc1cc(Cl)c(Br)cc1[C@H](Cl)c1cc(I)sn1 2023711498 VDFBUKSQTXPGBU-NSHDSACASA-N 462.965 5.800 50 10 JKGE Clc1ccc(Cl)c([C@H](Br)Cc2ccccc2I)c1 2027336917 XUQIPVVLNYDVET-GFCCVEGCSA-N 455.948 6.277 50 10 JKGE C[C@]1([C@H](Br)c2cc(Br)ccc2Br)C[C@@H]1C(F)(F)F 2039181058 QCFGVSZLBNSVTF-AXFHLTTASA-N 450.918 6.236 50 10 JKGE COC1CC(CC[C@@H](Cl)c2c(Br)sc(Br)c2Br)C1 2042742792 NGPBETYSNBIWIL-KAVNDROISA-N 481.475 6.521 50 10 JKGE CC[C@@H]1CN(C(=O)OCc2ccccc2)[C@H](CC)CN1C[C@H](CBr)C(C)(C)C 2044627450 SOXREKSGOUSGFA-PWRODBHTSA-N 453.465 5.555 50 10 JKGE O=C(N[C@@H](CBr)c1cccs1)c1csc(Br)c1Br 2055475613 YIXWZBODXFGVQV-ZETCQYMHSA-N 474.037 5.201 50 10 JKGE COc1cc([C@H](Br)c2cc(Br)c(Cl)s2)ccc1Br 2072060933 JREGPCFXLPIHHJ-NSHDSACASA-N 475.427 6.419 50 10 JKGE CN(C[C@H]1C[C@@H](Br)C1)C(=O)c1ccc(NC(=O)OC(C)(C)C)c(Br)c1 2076213698 IKRGPXHTBUZOAD-BJHJDKERSA-N 476.209 5.042 50 10 JKGE COc1cc(C)c([C@@H](Br)c2csnc2Br)cc1Br 2077999130 LIJCZLSJRBCTKG-LLVKDONJSA-N 455.997 5.469 50 10 JKGE CC(C)Oc1cccc(-n2nc(CBr)c(I)c2C(F)(F)F)c1 2079257608 AOHLHUKCZJWGPT-UHFFFAOYSA-N 489.073 5.178 50 10 JKGE COc1cc(Cl)c([C@@H](Br)c2ccsc2Br)cc1Br 2082382381 NFSAPAYYJHFXRC-NSHDSACASA-N 475.427 6.419 50 10 JKGE CSc1ccc([C@H](Br)c2ccc(Br)cc2Br)cc1 2083336710 CQQYQWJTXSKRGQ-AWEZNQCLSA-N 451.021 6.418 50 10 JKGE FC1(F)C2(CC2)C12CC([C@@H](Br)c1cc(Br)sc1Br)C2 2127511591 JOWXGHIIDTXUCS-ATZMEGNHSA-N 477.006 6.535 50 10 JKGE Cc1c(Br)ccc([C@@H](Br)c2cc(F)cc(Cl)c2)c1Br 2138873899 RJCXMBYNNMQUBM-AWEZNQCLSA-N 471.389 6.797 50 10 JKGE CC(C)(C)OC(=O)N1CCC(CI)(OC2CC3(C2)CC2(CCC2)C3)CC1 2140250820 MKRVQCBIJIYNJD-UHFFFAOYSA-N 475.411 5.321 50 10 JKGE COc1ccc([C@H](Br)c2ccc(I)c(C)c2)c(Br)c1 2142140183 GKYIFILPVDDZRI-OAHLLOKOSA-N 495.980 5.855 50 10 JKGE COc1ccc([C@@H](Cl)c2ccc(Br)cc2I)cc1Cl 2142285964 ACPCHESYPNKAPJ-CQSZACIVSA-N 471.947 6.044 50 10 JKGE COc1cc(Br)c(C)cc1[C@H](Br)c1cccc(F)c1Br 2145959235 BTHGAZSBAMLTBM-CQSZACIVSA-N 466.970 6.152 50 10 JKGE Cl[C@@H](c1cccc(Br)c1Br)c1csc2c(Br)cccc12 2148749993 JTDPMZDQBIAFHR-AWEZNQCLSA-N 495.461 7.517 50 10 JKGE Cc1cc(Br)c(CBr)c(N2CCC[C@@H]2[C@H]2CCN(Cc3ccccc3)C2)c1 2173447418 LUXBHKBTAUKWHF-SIKLNZKXSA-N 492.299 6.143 50 10 JKGE COC[C@H]1CC[C@@H](COc2c(Br)cc(Br)cc2CBr)C1 2181919811 DJCXRLUVBQWCGV-WDEREUQCSA-N 471.027 5.548 50 10 JKGE Cc1cc(Br)c(C)c([C@H](Cl)Cc2cccc(Br)c2)c1Br 2201076992 GSOPHDBEUFJFIN-CQSZACIVSA-N 481.453 7.114 50 10 JKGE Cc1cc(Br)c(C)c([C@@H](Br)C2CCC(F)(F)CC2)c1Br 2201080610 ZIUQAKMZTTUTHW-AWEZNQCLSA-N 475.009 7.090 50 10 JKGE COc1ccc(C)c([C@H](Br)c2ccc(Br)c(C)c2Br)c1 2203705711 OYNQTBKTCIAIAQ-MRXNPFEDSA-N 463.007 6.321 50 10 JKGE CCn1ncc(Br)c1[C@H](Br)c1cc(Br)cc(C)c1OC 2206580266 QGGSUXPQQMNWSK-GFCCVEGCSA-N 466.999 5.229 50 10 JKGE Clc1ccc(C[C@H](CBr)Cc2ccc(I)c(Cl)c2)cc1 2208046686 WUZQEYQASVPUDZ-ZDUSSCGKSA-N 484.002 6.394 50 10 JKGE Cc1sc([C@H](Cl)c2sc(Br)cc2Br)cc1Br 2210614129 LWWJXGRZYFSDKQ-VIFPVBQESA-N 465.457 6.734 50 10 JKGE Cc1nn(C)c([C@@H](Br)c2c(C)sc(Br)c2C)c1Br 2218804201 XXSRWPOZSBSYNF-JTQLQIEISA-N 457.029 5.416 50 10 JKGE Cc1sc(C[C@@H](Br)c2ccc(Br)cc2)c(Br)c1C 2221822048 IKPOOLBDUWDMGC-GFCCVEGCSA-N 453.037 6.569 50 10 JKGE CC(F)(F)C(C)(C)[C@H](Br)c1c(Br)cc(Cl)c(Cl)c1Cl 2224310133 FVQQUWHIJOUKBZ-SNVBAGLBSA-N 459.383 7.527 50 10 JKGE Cc1cc(Br)c([C@H](Br)c2scc(Br)c2C)c(C)c1Cl 2226127581 XHAVPUNOPHTFIK-LBPRGKRZSA-N 487.482 7.336 50 10 JKGE Fc1ccccc1C(CBr)(CBr)Cc1nscc1Br 2227092609 RYWLOJZEAMYSDI-UHFFFAOYSA-N 472.015 5.315 50 10 JKGE CC1(C)C[C@H](C[C@@H](Br)c2c(Br)cc(Cl)c(Cl)c2Cl)CO1 2232511858 LTJWKKHKILGITC-JGVFFNPUSA-N 465.440 7.051 50 10 JKGE CC[C@H](CC(F)(F)F)[C@@H](Br)c1c(Br)cc(Cl)c(Cl)c1Cl 2232517857 XAVYDIRNRIKUFP-MLUIRONXSA-N 477.373 7.824 50 10 JKGE COc1c(C(C)C)cc(Br)cc1[C@H](Cl)c1cscc1OCc1ccccc1 2233152356 IXFZOZNNGCOEGZ-NRFANRHFSA-N 465.840 7.550 50 10 JKGE Cc1cc(Br)c([C@@H](Br)[C@@H]2C[C@H]3CCC[C@H](C3)C2)cc1Br 2233658763 YBHNLHMSVQMWLW-ZBYUQBLASA-N 465.067 7.172 50 10 JKGE Cc1cc(Br)c([C@@H](Br)C[C@@H]2COC(C)(C)C2)c(C)c1Br 2235598771 JHGITJNHAHDESY-AAEUAGOBSA-N 469.055 6.470 50 10 JKGE Cc1ccc(I)c([C@H](Cl)c2cc(Cl)c(Cl)c(Cl)c2Cl)c1 2241000165 FVIXOLYGNZNOKQ-NSHDSACASA-N 480.387 7.541 50 10 JKGE Cc1cc(F)c(Cl)cc1[C@@H](Br)c1ccc(Cl)c(I)c1 2268273070 HVHWJDSSIRPAAX-AWEZNQCLSA-N 473.938 6.530 50 10 JKGE O=C(Nc1ccc(CBr)cc1)c1ccc(Cl)c(I)c1 2268347377 LQKGEASFRBSZCN-UHFFFAOYSA-N 450.501 5.092 50 10 JKGE Clc1ccc([C@@H](Cl)Cc2cc(Br)cc(Br)c2)cc1Br 2277962281 FHWCRERAQUPJCY-AWEZNQCLSA-N 487.844 7.150 50 10 JKGE Cc1cccc(C[C@H](Br)c2c(F)cc(Br)c(F)c2Br)c1 2288493175 PGCLZLSNISGZCQ-JTQLQIEISA-N 468.961 6.477 50 10 JKGE Cc1cc(Br)cc(CBr)c1OCc1c(F)cccc1Br 2289577253 ZDOBNNLRHNOOSB-UHFFFAOYSA-N 466.970 6.133 50 10 JKGE CCOc1cc(C=C(C#N)c2ccc([N+](=O)[O-])cc2)ccc1OCCOc1ccc(C)c(C)c1 2294732705 CMAPHPYRZCZAJI-UHFFFAOYSA-N 458.514 6.132 50 10 JKGE N#CC(=Cc1ccccc1OCc1cccc(C(F)(F)F)c1)C(=O)NCc1ccc(F)cc1 2295672278 IJEAYVPIJMGASC-UHFFFAOYSA-N 454.423 5.647 50 10 JKGE Cc1ccc(-c2csc(C(C#N)=CNc3ccc4c(C(F)(F)F)cc(=O)oc4c3)n2)cc1 2295937259 FJGVAOSDHKAHKU-UHFFFAOYSA-N 453.445 6.220 50 10 JKGE CCCCOc1ccc(-c2nn(-c3ccccc3)cc2C=C(C#N)C(=O)NCc2ccccc2)cc1 2296706079 UWDDSTWCMKPZNZ-UHFFFAOYSA-N 476.580 5.942 50 10 JKGE Cc1ccc(NC(=O)C(C#N)=C2S[C@@H](Cc3ccccc3)C(=O)N2c2ccc(C)cc2)cc1 2296835053 SMEQWGHPQWTGQW-DEOSSOPVSA-N 453.567 5.368 50 10 JKGE CCOc1ccc(-c2csc(C(C#N)=Cc3ccc(I)cc3)n2)cc1 2297315717 FBMXXIQOSYELHQ-UHFFFAOYSA-N 458.324 5.878 50 10 JKGE Cc1c(C=C(C#N)C(=O)Nc2cccc(C(F)(F)F)c2)c2ccccn2c1C(=O)c1ccccc1 2297398980 WWWAOEQPXNQQET-UHFFFAOYSA-N 473.454 6.043 50 10 JKGE CC(C)(C)[C@H]1CC(=Cc2ccccc2Cl)C2=C(C1)[C@H](c1ccccc1Cl)C(C#N)=C(N)O2 2297504866 DCDCHBSBVCLMAN-UUOWRZLLSA-N 465.424 7.595 50 10 JKGE Cc1nsc(Br)c1[C@@H](Cl)c1cc(Br)ccc1OCc1ccccc1 2299507863 HHPLUVPGRUAULX-KRWDZBQOSA-N 487.644 6.884 50 10 JKGE C[C@H](CC(C)(C)C)[C@H](Br)c1cc(Br)ccc1OCc1ccccc1 2299526687 AFEQUKAZOHASKV-QRWLVFNGSA-N 454.246 7.536 50 10 JKGE Cc1ccc(CN(Cc2ccccc2)[C@H](CBr)C(C)C)c(O)c1Br 2307564531 AELGITXPBUFJPM-GOSISDBHSA-N 455.234 5.885 50 10 JKGE C[C@@H]1CCC[C@H]([C@@H](Br)c2cc(Br)ccc2OCc2ccccc2)CC1 2314455012 KXROTXYDKXYWKP-TVTNDZMWSA-N 466.257 7.681 50 10 JKGE CCc1ccc(Oc2nc3ccccn3c(=O)c2C=C(C#N)C(=O)Nc2ccc(Cl)cc2)cc1 2314531432 AZYIOYIZJPGDIF-UHFFFAOYSA-N 470.916 5.248 50 10 JKGE COc1ccc(Cl)cc1NC(=O)C(C#N)=CN1CCN(C(c2ccccc2)c2ccccc2)CC1 2324452418 JRCUSQBRERZWKA-UHFFFAOYSA-N 487.003 5.102 50 10 JKGE C[C@@H](NC=C(C#N)C(=O)Nc1ccccc1Sc1ccccc1)c1ccc2c(c1)CCCC2 2325336196 NKHKVOFLKDKBMM-HXUWFJFHSA-N 453.611 6.413 50 10 JKGE COc1cc(C=NNC(=O)CCCCCNC(=O)OC(C)(C)C)ccc1OCc1ccc(C)cc1 2328799963 JMKJHVYITZUKCX-UHFFFAOYSA-N 483.609 5.118 50 10 JKGE CCCCc1ccc(-c2csc(C(C#N)=C(O)[C@@H]3CC(=O)N(c4ccc(CCCC)cc4)C3)n2)cc1 2331256001 MYJWHWQRBHYPLZ-XMMPIXPASA-N 499.680 7.341 50 10 JKGE N#CC(=C(O)C=Cc1ccc(OCc2ccccc2)cc1)c1nc(-c2cccc(Cl)c2)cs1 2331294223 DXTBOAXLOPFZFH-UHFFFAOYSA-N 470.981 7.549 50 10 JKGE CC(C)c1ccc(O[C@H](C)C(O)=C(C#N)c2nc(-c3ccc(Cl)c(Cl)c3)cs2)cc1 2331311750 UMNRERUVFPTMFD-CQSZACIVSA-N 459.398 7.500 50 10 JKGE COc1ccc(C=C(C(O)=C(C#N)c2nc(-c3ccc(C)cc3)cs2)c2ccccc2)cc1OC 2331312287 CIUPCZZWUVARGW-UHFFFAOYSA-N 480.589 7.169 50 10 JKGE COc1c(Cl)cc(Cl)cc1-c1csc(C(C#N)=C(O)c2cccc(OCC(C)C)c2)n1 2331363989 CLUKTDPVTVOGIQ-UHFFFAOYSA-N 475.397 7.110 50 10 JKGE CCOc1cc(C=C(C#N)c2nc(-c3ccc(CC)cc3)cs2)ccc1OCc1ccccc1 2331417715 LDFLYJOBTVRLSE-UHFFFAOYSA-N 466.606 7.414 50 10 JKGE Fc1cc(Br)c(Br)cc1[C@@H](Br)[C@@H]1[C@@H]2[C@H]1CCC2(F)F 2333604889 SDANYNMSGLCOFI-MRGVKNFYSA-N 462.929 6.078 50 10 JKGE Brc1ccc(OCc2ccccc2)c([C@@H](Br)C2C3(CCC3)C23CCC3)c1 2336041228 MFUGVFCYFXIOHW-HXUWFJFHSA-N 476.252 7.435 50 10 JKGE Cc1coc(C)c1[C@H](Br)c1c(Cl)cc(Br)c(F)c1Br 2337113238 WUPQRQUSNGYOHF-NSHDSACASA-N 475.377 6.698 50 10 JKGE CCN(C[C@@](C)(CI)OC[C@H]1C[C@H]2CCC[C@H]1CC2)C(=O)OC(C)(C)C 2338899767 QQGMFCKEZGTCRO-LXGFNABISA-N 479.443 5.670 50 10 JKGE Cc1c([C@H](Cl)c2cc(Br)ccc2OCc2ccccc2)ccc(Cl)c1Cl 2339131699 MVOZOYFQQAMRRF-NRFANRHFSA-N 470.621 7.972 50 10 JKGE C[C@H](c1ccncc1Br)[C@H](Cl)c1ccc(Cl)cc1I 2340050144 NNDSBVLQLAKKLW-CLAHSXSESA-N 470.963 6.186 50 10 JKGE C[C@]1(C(F)(F)F)C[C@]1(CBr)Cc1cc(I)ccc1Cl 2352416830 AEPCYPKHIMGBBQ-RYUDHWBXSA-N 467.494 5.841 50 10 JKGE Fc1cc(Cl)c(Br)c(Cl)c1[C@H](Br)C1(C(F)(F)F)CCC1 2360409356 WPSBEMZMMZSDTK-JTQLQIEISA-N 458.902 7.064 50 10 JKGE CC(F)(F)C1([C@@H](Br)c2c(F)cc(Cl)c(Br)c2Cl)CCC1 2360482782 BTVFQAMIVXJQOB-NSHDSACASA-N 454.939 7.157 50 10 JKGE COc1ccc(CC[C@H](Br)c2cc(Br)ccc2OCc2ccccc2)cc1 2361176626 GQHXVCJKAPLFDA-QFIPXVFZSA-N 490.235 7.106 50 10 JKGE CCc1cscc1[C@H](Br)c1c(C)cc(Br)c(OC)c1Br 2365190131 BNOAOAVPSNAYRF-ZDUSSCGKSA-N 483.063 6.637 50 10 JKGE COc1c(Br)cc(C)c([C@@H](Br)CC2(C)CCCC2)c1Br 2365193873 LQUZQUYBWGEPFT-LBPRGKRZSA-N 469.055 6.935 50 10 JKGE COc1c(Br)cc(C)c([C@H](Br)c2csc(C)c2C)c1Br 2365236828 QNKWTYHADOOOBV-CYBMUJFWSA-N 483.063 6.691 50 10 JKGE COc1cc([C@@H](Cl)c2c(Br)cc(C)c(Br)c2C)sc1Cl 2365836758 VSNSWNZGEBBEMK-CYBMUJFWSA-N 459.030 6.880 50 10 JKGE COc1cc([C@H](Cl)c2c(Cl)cc(Br)c(F)c2Br)sc1Cl 2365838071 KKOFSUIPSVJQHJ-JTQLQIEISA-N 483.411 7.056 50 10 JKGE CC(C)(C)OC(=O)N1CCCCN(C[C@@](C)(CBr)C(C)(C)C)CC(F)(F)C1 2380178586 CCQGQBHAYPDVCH-LJQANCHMSA-N 455.428 5.402 50 10 JKGE COc1ccc(/C=C2\CCCC3=C2OC(N)=C(C#N)[C@@H]3c2ccc(OC)c(OC)c2)cc1OC 2486480 BVCLYSPLOMWMFS-ZICVCWAASA-N 460.530 5.050 50 10 JKGE Cc1ccccc1C(=O)Nc1ccc(C(=O)N/N=C/c2c3ccccc3cc3ccccc23)cc1 12578731 DPFKQBCACBLQBO-ZCTHSVRISA-N 457.533 6.318 50 10 JKGE Cc1ccc(-c2ccc(/C=C(\C#N)C(=O)Nc3sc4c(c3C#N)CCCC4)o2)c([N+](=O)[O-])c1 14151730 VHRQCVJZLQAUBY-RVDMUPIBSA-N 458.499 5.521 50 10 JKGE CC1=C(C#N)C(=O)N(CCc2ccccc2)C(=O)/C1=C\c1ccc(-c2cccc(Cl)c2C)o1 33286685 ARKYCWBUMVRNLB-JCMHNJIXSA-N 456.929 5.743 50 10 JKGE Cc1ccc(N2C(=O)CS[C@@H]2c2cccc(NC(=O)[C@@H](Cl)c3ccccc3)c2)cc1F 35928633 VFGKFAFAJJTNDR-LADGPHEKSA-N 454.954 5.831 50 10 JKGE CCCCOc1cccc(C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@@H]3c2ccccc2Cl)c1 38651073 XPZXVKVWFIOJPW-RUZDIDTESA-N 474.944 5.956 50 10 JKGE N#CC1=C(N)Oc2cc(OC(=O)c3ccc(Br)cc3)ccc2[C@@H]1c1cccc(Cl)c1 38651136 BYXRMOINYMDDLM-NRFANRHFSA-N 481.733 5.540 50 10 JKGE Cc1ccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)C(c4ccccc4)c4ccccc4)ccc32)o1 38659402 ULZLANPSRSJAQV-MHZLTWQESA-N 462.505 5.544 50 10 JKGE CCCCOc1ccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4ccccc4)ccc32)cc1OC 38660043 NGIOEHOGXOTIBB-AREMUKBSSA-N 470.525 5.311 50 10 JKGE Cc1cccc(C(=O)N/N=C2\CCCc3oc(C(=O)Nc4ccc(Cl)cc4Cl)c(C)c32)c1 40811304 VBWSCTHMCIKHHF-TURZUDJPSA-N 470.356 5.926 50 10 JKGE Cc1ccnc(NC(=O)c2oc3c(c2C)/C(=N/NC(=O)c2ccc(-c4ccccc4)cc2)CCC3)c1 40822812 HFNCWJWVFUPLLT-AWSUPERCSA-N 478.552 5.681 50 10 JKGE CCOC(=O)/C(C#N)=C/c1cccc(OC(=O)COc2ccc(Br)cc2C(C)C)c1 40944711 QNDGBAUNGTYSJV-LICLKQGHSA-N 472.335 5.027 50 10 JKGE O=C(N/N=C(/CSc1nc2ccccc2o1)c1ccc(-c2ccccc2)cc1)c1ccccc1Cl 59460712 RTBOZRMSAZVLIM-GDWJVWIDSA-N 498.007 7.075 50 10 JKGE N#C/C(=C/c1cn(Cc2cccc(Cl)c2)c2ccccc12)S(=O)(=O)c1ccc(Cl)cc1 96438451 GYDLFUPFVJUMPU-XKZIYDEJSA-N 467.377 6.335 50 10 JKGE Cc1cccc(CS/C(Nc2ccc(C)c(Cl)c2)=C(/C#N)S(=O)(=O)c2ccccc2)c1 96482145 VELRSEJQKFEFTJ-VHXPQNKSSA-N 469.031 6.469 50 10 JKGE C=CCOc1ccc(-c2nn(-c3ccccc3)cc2/C=C(\C#N)C(=O)N[C@H](C)c2ccccc2)cc1C 102860524 MYVYRAVFAMWUSI-HWBIBUKPSA-N 488.591 6.197 50 10 JKGE COc1ccc2cc([C@H](Br)c3ccc(I)cc3)ccc2c1 109879955 IEGDQKFCOVRQFM-GOSISDBHSA-N 453.117 5.937 50 10 JKGE Cc1cc(Br)ccc1[C@H](Br)c1cc2[nH]c(=O)[nH]c2cc1Br 109884148 PKAFWZSMHBUWAJ-AWEZNQCLSA-N 474.978 5.174 50 10 JKGE COc1ccc([C@H](Br)c2cc(Cl)c(Br)s2)cc1Br 127512756 DWEWZGQRKCCYKV-NSHDSACASA-N 475.427 6.419 50 10 JKGE Brc1cc([C@H](Br)c2cc3sccc3s2)c(Br)s1 156472275 YREULADNHIDNHI-JTQLQIEISA-N 473.074 7.034 50 10 JKGE C[C@@H](Br)c1cn(-c2c(Br)cc(Br)cc2Br)nn1 163600766 QMXKJXFERBUCCO-RXMQYKEDSA-N 488.803 5.011 50 10 JKGE CC(C)c1ccc(NC(=O)/C(C#N)=C\N2CCN(C(c3ccccc3)c3ccccc3)CC2)cc1 216981440 RRTCDMLLLCJWLX-QYQHSDTDSA-N 464.613 5.563 50 10 JKGE Clc1cc([C@@H](Br)c2sccc2Br)ccc1I 232344768 UBLWIGLCTFFQCY-SNVBAGLBSA-N 492.401 6.253 50 10 JKGE CCOc1ccc([C@@H](Br)c2ccc(Cl)cc2Br)cc1Br 233819319 IRJVEZVZZHEPMM-OAHLLOKOSA-N 483.425 6.748 50 10 JKGE Clc1ccc(Br)c([C@H](Cl)c2csc3c(Br)cccc23)c1 236031761 IPLHPJPSKAKNNM-AWEZNQCLSA-N 451.010 7.408 50 10 JKGE CCOc1cc(C=NNC(=O)Cc2csc(Nc3cccc(C(F)(F)F)c3)n2)cc(Cl)c1O 252620630 MIFPNXQIWNMBNZ-UHFFFAOYSA-N 498.914 5.356 50 10 JKGE CCCCc1ccc(OCC(=O)NN=Cc2c(OCc3ccc(F)cc3)ccc3ccccc23)cc1 254342363 IGHVBJCPEVOYTE-UHFFFAOYSA-N 484.571 6.430 50 10 JKGE CCCCCCCCCCCCCC(=O)NN=Cc1ccc(OC(=O)/C=C\c2ccccc2)cc1 254817148 RFNSLKSHGFJKSB-UBHWZQPKSA-N 476.661 7.457 50 10 JKGE CC(=NNC(=O)c1ccc(OCC(=O)N2[C@@H](C)CCC[C@H]2C)cc1)c1cccc(C(F)(F)F)c1 254817385 SYOADWSMKUOOLG-CALCHBBNSA-N 475.511 5.028 50 10 JKGE Cc1csc([C@H](Br)c2scc(C(F)(F)F)c2Br)c1Cl 302627524 PNBIULPQPGKMTE-SSDOTTSWSA-N 454.558 7.037 50 10 JKGE Cn1ncc([C@@H](Cl)c2csc3c(Br)cccc23)c1I 379198952 HAVVZSZDNVCADJ-LLVKDONJSA-N 467.557 5.330 50 10 JKGE ClCc1nc2cc(Cl)cnc2n1-c1ccc(Br)c(I)c1 380029490 JCQJBMCHVHAAMS-UHFFFAOYSA-N 482.934 5.180 50 10 JKGE Cc1ccc([C@@H]2CN(C(=O)OCc3ccccc3)C[C@H]2CBr)cc1Br 382716740 KXTOKDVPMDOADD-MSOLQXFVSA-N 467.201 5.505 50 10 JKGE BrCC(CBr)(Cc1ccccc1)Cc1ccsc1Br 388754688 QNYZBEOVSWLJTG-UHFFFAOYSA-N 467.064 6.072 50 10 JKGE Fc1ccc(C(CBr)(CBr)Cc2coc(Br)c2)cc1 393562715 HULHAYZMPHXOJG-UHFFFAOYSA-N 454.959 5.452 50 10 JKGE Fc1cc(Br)c([C@H](Br)c2cc(Br)ccc2Cl)c(F)c1F 398724384 JYDFSQORUWQHLK-LLVKDONJSA-N 493.342 6.767 50 10 JKGE CC(C)(C)[Si](C)(C)OCc1ccccc1[C@@H]1CN(S(=O)(=O)c2ccccc2)CCCO1 616599591 XIXBJOWDODAAQI-QHCPKHFHSA-N 461.700 5.361 50 10 JKGE CC(C)(C)[Si](C)(C)OCCN1CCOC[C@H](c2cccc(CO[Si](C)(C)C(C)(C)C)c2)C1 616663705 OHYMJZJLQTVHFV-XMMPIXPASA-N 479.854 6.646 50 10 JKGE C[C@H]1CCCN(C(=O)c2cc(Br)c(Br)s2)[C@H]1CCBr 697245069 GSPPPXIGICDEOW-WPRPVWTQSA-N 474.056 5.299 50 10 JKGE O=C(c1scc(Br)c1Br)N1CCC[C@@H]1CCCBr 705408450 HMCANQLCSYGGPR-QMMMGPOBSA-N 460.029 5.053 50 10 JKGE CN(C(=O)c1scc(Br)c1Br)[C@@H]1CCCC[C@@H]1Br 705408968 KLGNJXBFEQLIGM-IONNQARKSA-N 460.029 5.051 50 10 JKGE Fc1ccc([C@H](Br)c2ccc(I)c(Br)c2)cc1 721587320 KYOXCOPDELDZPW-ZDUSSCGKSA-N 469.917 5.677 50 10 JKGE Cc1cccc(-n2c(C)cc(C=NNC(=O)c3ccc(CSc4ccc(Cl)cc4)cc3)c2C)c1 725444780 PRYPFTAAWNHXMP-UHFFFAOYSA-N 488.056 7.112 50 10 JKGE O=C(NN=C(CSc1nc2ccccc2s1)c1ccc([N+](=O)[O-])cc1)c1ccccc1Cl 1083902057 CGLNFXZDGYKBLS-UHFFFAOYSA-N 482.974 5.784 50 10 JKGE CCCCOc1ccc(Br)cc1/C=C(/C#N)C(=O)Nc1cccc(C(F)(F)F)c1 1083909228 PYBRNWDQKOQECK-GDNBJRDFSA-N 467.285 6.192 50 10 JKGE CCOc1cc(/C=C(\C#N)C(=O)NCCc2c[nH]c3ccccc23)c(Br)cc1OC(C)C 1084193387 RWQHMIZREIBQAD-YBFXNURJSA-N 496.405 5.382 50 10 JKGE O=C(NN=Cc1ccc(-c2cccc(Cl)c2Cl)o1)c1cc2cc(Br)ccc2o1 1084408808 MEGMWGHILRVKRQ-UHFFFAOYSA-N 478.129 6.526 50 10 JKGE CC(C)Cc1ccc([C@@H](C)C(=O)NN=C2C(=O)N(Cc3ccccc3Cl)c3ccccc32)cc1 1084425059 NXZFUWZVFRFDGF-LJQANCHMSA-N 474.004 5.709 50 10 JKGE COc1ccccc1/C(C#N)=C/c1ccc(OC(=O)/C=C/c2ccc(Cl)cc2Cl)cc1 1615099365 NSEKTDVVQNGYAM-QZTGBSOPSA-N 450.321 6.685 50 10 JKGE O=C(Cc1ccc(Br)cc1)NNC(=O)c1ccc(-c2ccc3ccccc3c2)s1 1860391406 FDZPERBSVBWINI-UHFFFAOYSA-N 465.372 5.335 50 10 JKGE CCCc1nn(-c2ccc(C)cc2)c2c1[C@H](c1c(OC)ccc3ccccc13)C(C#N)=C(N)O2 1865688697 YNCGOKJRHVVLJO-VWLOTQADSA-N 450.542 5.513 50 10 JKGE CCOc1c(OC)cccc1[C@@H]1C(C#N)=C(N)Oc2c1c(-c1ccccc1)nn2Cc1ccccc1 1865693346 NFHBKLYBCRKTQW-XMMPIXPASA-N 478.552 5.224 50 10 JKGE CCCCOc1ccc([C@H]2C(C#N)=C(N)Oc3c2c(CCC)nn3Cc2c(F)cccc2Cl)cc1 1865693748 YCFLZZUMAYUDRZ-DEOSSOPVSA-N 494.998 6.073 50 10 JKGE CCc1nn(Cc2ccccc2Cl)c2c1[C@@H](c1ccc(N(CC)CC)cc1)C(C#N)=C(N)O2 1865702521 WMYNMKDPBVXDPK-QHCPKHFHSA-N 461.997 5.212 50 10 JKGE CCc1nn(CC(C)C)c2c1[C@H](c1c(OCc3ccccc3)ccc3ccccc13)C(C#N)=C(N)O2 1865704187 PQMHHUFCQYCKQM-MHZLTWQESA-N 478.596 6.052 50 10 JKGE CCOc1ccc(/C=N\NC(=O)c2ccc(-c3ccc(Cl)c(Cl)c3)nc2C)cc1OCC 1865762494 JNMHISAEMLJRFX-VYYCAZPPSA-N 472.372 5.925 50 10 JKGE COc1ccc(/C(C)=N/NC(=O)c2ccc(-c3ccc(Cl)c(Cl)c3)nc2C)cc1OC 1865763249 CDDZXWPCWFMSJM-UVHMKAGCSA-N 458.345 5.535 50 10 JKGE Cc1nc(Cc2ccccc2)sc1C(=O)NNC(=O)/C=C/c1ccc(OCc2ccccc2)cc1 1865844903 CZNJPSMNGSBARJ-SAPNQHFASA-N 483.593 5.096 50 10 JKGE CC(C)c1nc(Nc2ccc(SC#N)cc2)cc(N2CC(=O)N3CC(C)(C)c4ccccc4[C@H]3C2)n1 1868231625 MQSNEVIOJFSSIT-HSZRJFAPSA-N 498.656 5.598 50 10 JKGE Cc1nc(Nc2ccc(SC#N)cc2)cc(N2CCc3c([nH]c4ccccc34)[C@H]2C2CCCCC2)n1 1868480083 FZMYBDIGBIDLNO-GDLZYMKVSA-N 494.668 7.267 50 10 JKGE N#C/C(=C(/O)c1cccc(Oc2ccccc2)c1)c1nc(-c2cccc(Br)c2)cs1 1872746052 OZMAIFJKLOXWEW-LNVKXUELSA-N 475.367 7.315 50 10 JKGE Cc1cc(C)c(C)c(-c2csc(/C(C#N)=C(\O)CCCOc3ccc(Cl)cc3)n2)c1C 1872754156 FSWLXIDMKRGKEA-LNVKXUELSA-N 453.007 7.349 50 10 JKGE N#C/C(=C\c1ccccc1OCc1ccc(Cl)cc1)c1nc(-c2cccc([N+](=O)[O-])c2)cs1 1872782755 UBMWOSCOLSVJTN-UDWIEESQSA-N 473.941 7.015 50 10 JKGE CCCOc1ccc(-c2csc(/C(C#N)=C/c3ccc(C(F)(F)F)cc3)n2)cc1OCCC 1872790049 HGTWQNIBGJZSHR-CPNJWEJPSA-N 472.532 7.471 50 10 JKGE CCCCCOc1ccc(/C=C(\C#N)c2nc(-c3c(C)c(C)cc(C)c3C)cs2)cc1OC 1872792879 VYEMPOTUARDVAB-OEAKJJBVSA-N 460.643 7.686 50 10 JKGE C[C@H](Oc1ccc(Cl)cc1Br)/C(O)=C(\C#N)c1nc(-c2ccc(F)cc2F)cs1 1872818161 PHQAGSBHXBYMRJ-NSYNCBPISA-N 497.748 6.764 50 10 JKGE O=C1c2ccccc2C(=O)N1C[C@H](Br)CCc1cc(Br)ccc1Cl 1905438712 OTXZOHLVWVHRDB-CYBMUJFWSA-N 471.576 5.095 50 10 JKGE C[C@@H](Cl)c1nc2c(Br)cc(F)cc2n1C[C@H]1CCCN1Cc1ccccc1 1912668375 FYFFEOWNCHSAFH-RHSMWYFYSA-N 450.783 5.902 50 10 JKGE C[C@H](CBr)N(Cc1ccccc1)S(=O)(=O)c1ccc(Cl)c(C(F)(F)F)c1 1914347793 HQOYXSJXHLVJGZ-GFCCVEGCSA-N 470.738 5.333 50 10 JKGE CC[C@H](Cl)CN(Cc1ccccc1)C(=O)c1cc(Br)sc1Br 1915089769 CRSSRJLJGZBEGG-LBPRGKRZSA-N 465.638 5.933 50 10 JKGE CC(C)[C@H](CBr)N(Cc1ccccc1)S(=O)(=O)c1ccc(Cl)c(Cl)c1 1915295908 ONVKMRSNZLRDDN-SFHVURJKSA-N 465.240 5.604 50 10 JKGE O=C(c1sccc1I)N(Cc1ccccc1)C1(CBr)CCC1 1915756811 NSIGLTVZPFCDPC-UHFFFAOYSA-N 490.204 5.313 50 10 JKGE O=S1(=O)CCCC[C@@H]1[C@H](Cl)c1c(Br)sc(Br)c1Cl 1923040019 SBQBGXLEOWRMGV-VDTYLAMSSA-N 457.036 5.174 50 10 JKGE CCC(=O)[C@@H](Br)Cc1cc(Br)c(Br)c(Br)c1 1938597252 YEENHJNSQBLNNZ-ZETCQYMHSA-N 477.816 5.259 50 10 JKGE COc1sc([C@@H](Br)c2cscc2OCc2ccccc2)cc1Br 1939529895 XGGBDODCEJVONB-INIZCTEOSA-N 474.239 6.644 50 10 JKGE C[C@H](Br)Cc1cc(Br)cc(Br)c1NC(=O)OC(C)(C)C 1951695720 ONMKFMNJNAUUQK-QMMMGPOBSA-N 472.015 5.885 50 10 JKGE CCC[C@@H]1C[C@@H]1[C@H](Br)c1c(Br)sc(Br)c1Br 1992935673 ABFPWNOQVINDRT-CHKWXVPMSA-N 495.900 6.908 50 10 JKGE Brc1ccc([C@H](Br)c2coc(Br)c2)c(Br)c1 1994123298 XTPPCVAMVURGIY-LLVKDONJSA-N 473.784 6.051 50 10 JKGE FC1(F)CCOC[C@H]1[C@@H](Br)c1cc(Br)sc1Br 2001816489 CONHEBUXLSJNEL-XPUUQOCRSA-N 454.956 5.381 50 10 JKGE CCCc1ccc([C@@H](Cl)c2cc(I)ccc2Br)s1 2027136732 QACJXXWJBQSFPU-AWEZNQCLSA-N 455.586 6.396 50 10 JKGE CCc1cc(Br)c([C@H](Br)c2ccc(Cl)c(Br)c2)s1 2029231995 BUCIFNFEGSMCSQ-GFCCVEGCSA-N 473.455 6.973 50 10 JKGE Clc1c(Br)sc(Br)c1[C@@H](Br)CC1CC2(CCC2)C1 2037983012 TYCRGTSQKGJKKU-QMMMGPOBSA-N 477.487 7.333 50 10 JKGE N#CC(=COc1ccc2c(C(F)(F)F)cc(C(F)(F)F)nc2n1)c1ccc(Cl)cc1Cl 2040750479 BSBCFSSKXMBAOP-UHFFFAOYSA-N 478.179 6.918 50 10 JKGE O=C(C=Cc1cc(C(F)(F)F)ccc1Cl)NNC(=O)c1cc(-c2ccccn2)nc2ccccc12 2042445811 XLKUZJJRIKCMPN-UHFFFAOYSA-N 496.876 5.443 50 10 JKGE BrCc1ccc(Br)cc1N1CC[C@@]2(CCN(Cc3ccccc3)C2)C1 2044885282 QAKKHJGUOHAYTH-OAQYLSRUSA-N 464.245 5.446 50 10 JKGE Cc1sc(Br)cc1[C@H](Br)c1cc(Cl)c(C)c(Br)c1 2048504116 SNOCJHBBQINZQD-CYBMUJFWSA-N 473.455 7.028 50 10 JKGE COc1ccc(Oc2ccc(C=C(C#N)c3nc(O)c4c(C)c(C)sc4n3)cc2[N+](=O)[O-])cc1 2053575316 VDOZENSITSKZDX-UHFFFAOYSA-N 474.498 5.787 50 10 JKGE COc1cc(Cl)c([C@@H](Br)c2cc(I)sn2)cc1Cl 2056486904 GHILPKAPNHUMIK-LLVKDONJSA-N 478.964 5.547 50 10 JKGE Clc1c(Br)sc(Br)c1[C@H](Br)[C@H]1C[C@]12CCCOC2 2077423834 QKSUFRVWKZNGTH-GFJAWQGPSA-N 479.459 6.179 50 10 JKGE Cc1nn(-c2cc(C(F)(F)F)cc(C(F)(F)F)c2)c2c1C(=O)[C@@H](Br)C(C)(C)C2 2080384075 SIJQXYJANISNQF-OAHLLOKOSA-N 469.223 5.747 50 10 JKGE CC(C)(C)[Si](C)(C)OCc1ccc(Br)cc1NC(=O)OCc1ccccc1 2081067105 WECOMBNMPDWOFF-UHFFFAOYSA-N 450.449 6.720 50 10 JKGE CCOc1ccc([C@@H](Br)c2ccc(Br)cc2Br)s1 2086382205 SMPSDQFDDNIAEQ-ZDUSSCGKSA-N 455.009 6.156 50 10 JKGE Cl[C@H](c1cc(Br)c2c(c1)CCO2)c1scc(Br)c1Br 2090467101 KWPOEFSWXYWQAP-LLVKDONJSA-N 487.438 6.299 50 10 JKGE FC1(F)CN(Cc2ccccc2)CCCN(c2cc(Br)ccc2CBr)C1 2096469082 XKVSCNYSXZJIQS-UHFFFAOYSA-N 488.214 5.692 50 10 JKGE Fc1cc(Cl)c([C@H](Br)c2cc(I)ccc2F)cc1F 2113356950 ACAVEBZONBUJJL-ZDUSSCGKSA-N 461.446 5.846 50 10 JKGE Fc1c(Br)ccc(C[C@@H](Br)c2cccc(Br)c2)c1F 2113495981 TUDCBHLKTYTUOY-GFCCVEGCSA-N 454.934 6.169 50 10 JKGE FC(F)(C1CCOCC1)[C@@H](Cl)c1c(Br)sc(Br)c1Cl 2128895711 ILCDEFGCMGQFEJ-QMMMGPOBSA-N 458.977 6.268 50 10 JKGE CCOc1ccc([C@H](Cl)c2ccc(Br)cc2I)cc1 2142288538 SPKGHLFNZWYDIF-HNNXBMFYSA-N 451.529 5.781 50 10 JKGE COc1ccc([C@H](Br)c2ccc(Br)cc2I)cc1C 2142289382 YWCHINOGFJDJFC-HNNXBMFYSA-N 495.980 5.855 50 10 JKGE O=C(NCc1c(Br)cccc1Br)c1ccc(CBr)cc1 2150533808 RTGZAZQEDQQBDS-UHFFFAOYSA-N 461.979 5.037 50 10 JKGE C[C@@H](Cl)c1nc2cc(I)ccc2n1[C@@H]1CN(Cc2ccccc2)C(C)(C)C1 2154535565 RYTJXYVITWVMKI-QAPCUYQASA-N 493.820 6.166 50 10 JKGE CC1(C)C[C@H](n2c(CCl)nc3cc(Br)c(F)cc32)[C@H]1OCc1ccccc1 2156379364 YAPYKXZPLJHPOB-AZUAARDMSA-N 451.767 6.233 50 10 JKGE BrCc1cc(Br)c(OCc2nc(C3CC3)ns2)c(Br)c1 2158914515 OLTMPHGFJNKQFW-UHFFFAOYSA-N 483.023 5.414 50 10 JKGE Cc1cc(Br)c(C)c([C@H](Cl)c2nn(C)c(Cl)c2Cl)c1Br 2201082663 RUMNJOLOLMZLNF-JTQLQIEISA-N 461.412 6.197 50 10 JKGE Fc1cc(Br)c([C@@H](Br)c2c(F)cccc2Br)c(F)c1Cl 2201619324 PRDGNKDIARDLIJ-NSHDSACASA-N 493.342 6.767 50 10 JKGE COc1cc(Cl)c([C@H](Br)c2cccc(C)c2Br)cc1Br 2202351139 HRJFXGUCIDXPMP-OAHLLOKOSA-N 483.425 6.666 50 10 JKGE CC[C@](C)(CCCC(C)C)OC1(CI)CCN(C(=O)OC(C)(C)C)CC1 2226056941 KPRKQPNXEZBROR-HXUWFJFHSA-N 481.459 6.203 50 10 JKGE CCN[C@H](c1c(Br)cc(C)c(Br)c1C)[C@H]1C[C@@H](Br)C1 2227346400 CVBKZMTZERMUNK-RWSFTLGLSA-N 454.044 5.653 50 10 JKGE Cc1sc([C@@H](Cl)c2scc(C(F)(F)F)c2Br)c(C)c1Br 2234472547 YPGYWUXKAVEJNX-SECBINFHSA-N 468.585 7.298 50 10 JKGE FC(F)(F)Oc1ccc(Cl)cc1[C@@H](Cl)c1csc(I)c1 2239609001 MZSYCBGSNARMIB-NSHDSACASA-N 453.050 6.233 50 10 JKGE Cc1cc(Cl)c(Cl)cc1[C@H](Br)c1ccccc1I 2253414298 MPQXIRPTVMDKSG-CQSZACIVSA-N 455.948 6.391 50 10 JKGE Cc1sc([C@@H](Br)c2c(Cl)cccc2Br)c(Br)c1C 2253469859 BIORJHKJPAAAMT-LBPRGKRZSA-N 473.455 7.028 50 10 JKGE CC1([C@H](Br)c2sc(Br)cc2Br)CC(C(F)(F)F)C1 2253657264 ZXXQXLAAMFMTDK-UQEWUYKGSA-N 470.974 6.688 50 10 JKGE CC(C)(C)c1ccc([C@@H](Br)c2ccc(Cl)c(I)c2)s1 2268279694 MHXRUSAZCLTUCZ-AWEZNQCLSA-N 469.613 6.788 50 10 JKGE COc1ccc([C@@H](Br)Cc2ccccc2Br)cc1I 2269547463 UPOSRJCACMHZBK-ZDUSSCGKSA-N 495.980 5.741 50 10 JKGE Fc1cc(Br)c(F)c(Br)c1[C@@H](Br)C(F)(F)C(F)(F)F 2272849388 HNUCXJRZGWHINN-SSDOTTSWSA-N 482.813 6.123 50 10 JKGE COc1cc(Cl)c(Cl)cc1[C@@H](Br)c1ccc(F)cc1I 2279055735 DZPCCMSTJUMDKX-AWEZNQCLSA-N 489.937 6.230 50 10 JKGE COc1cc(Cl)c(Cl)cc1[C@H](Br)c1cccc(C)c1I 2279058278 OQJFAUWUXIIFOC-CQSZACIVSA-N 485.974 6.399 50 10 JKGE CC(C)(C)OC(=O)NC(C)(C)c1csc(NC(=O)c2ccc(CBr)cc2)n1 2282803781 ANPPBSBSSBXTBZ-UHFFFAOYSA-N 454.390 5.050 50 10 JKGE COc1c([C@H](Br)c2cc(Br)cs2)cc(Br)c2c1CCC2 2284515153 JSJLNTVAFQNWEN-AWEZNQCLSA-N 481.047 6.255 50 10 JKGE COc1ccc([C@@H](Br)c2scc3c2CCCC3)cc1I 2284995553 BNEDRWJVQYYTJT-OAHLLOKOSA-N 463.178 5.724 50 10 JKGE CC(C)(C)CCN(CCCl)C(=O)c1ccc(Br)cc1I 2289882958 RDQQBXIRTBKRAX-UHFFFAOYSA-N 472.592 5.171 50 10 JKGE COc1cc(C=C(C#N)c2nc(-c3cccs3)cs2)ccc1OCC(=O)Nc1ccccc1 2293038935 JTRJDHZJMOOFLZ-UHFFFAOYSA-N 473.579 5.962 50 10 JKGE COc1cc(C=C(C#N)C(=O)Nc2ccc(C)cc2)cc(Cl)c1OCc1ccc(C(=O)O)cc1 2294175241 IZCWGMUKKMUGJA-UHFFFAOYSA-N 476.916 5.480 50 10 JKGE CCCOC(=O)c1ccc(NC=C(C#N)c2nc(-c3cc4cc(Cl)ccc4oc3=O)cs2)cc1 2296798393 OJUSHGPRPSGMBQ-UHFFFAOYSA-N 491.956 6.113 50 10 JKGE COc1cc(C=C(C#N)c2nc3ccccc3[nH]2)cc(Br)c1OCc1ccc(F)cc1 2297350483 VQXIIUGYEHQVIL-UHFFFAOYSA-N 478.321 6.116 50 10 JKGE O=C(NC(=CCl)[P+](c1ccccc1)(c1ccccc1)c1ccccc1)Oc1ccccc1 2297497982 UJIXQYJLOIUQLE-UHFFFAOYSA-O 458.905 5.807 50 10 JKGE COc1cc(C=C(C#N)c2nn(-c3ccccc3)c(N)c2C#N)ccc1OCc1ccc(Cl)cc1 2297550442 UZUGCKHKBUZJQE-UHFFFAOYSA-N 481.943 5.631 50 10 JKGE FC1(F)CCC[C@@H]1[C@H](Br)c1ccc(OCc2ccccc2)cc1Br 2299493583 GIZGISSQFVIZCL-SJLPKXTDSA-N 460.156 6.900 50 10 JKGE Clc1csc([C@H](Cl)c2cc(Br)ccc2OCc2ccccc2)c1Cl 2299524972 JLIUYESMGXQIEE-MRXNPFEDSA-N 462.623 7.725 50 10 JKGE C[C@@H]1CC[C@@H](Cc2ccc(I)c(Br)c2)[C@H](Br)C1 2306198598 CSKUBUPAMPNMBB-ADEWGFFLSA-N 472.002 5.796 50 10 JKGE COc1ccc(C=C(C#N)C(=O)Nc2ccccc2)cc1OCc1ccc(Br)cc1 2313630749 QSDSWPPKIBYDOL-UHFFFAOYSA-N 463.331 5.582 50 10 JKGE CCOc1cc(C=C(C#N)C(=O)NCc2cccs2)ccc1OCc1c(F)cccc1Cl 2313664765 VYWCRKOQZPHCQR-UHFFFAOYSA-N 470.953 5.742 50 10 JKGE N#CC(=Cc1ccc(-c2cccc(Cl)c2Cl)o1)c1nc(-c2cc3ccccc3oc2=O)cs1 2314572230 WKPFFXUGQWLCQF-UHFFFAOYSA-N 491.355 7.547 50 10 JKGE CCc1ccc(N2C(=O)[C@H](Cc3ccccc3F)SC2=C(C#N)C(=O)NCc2ccccc2)cc1 2314593114 HSUDRAOKAHEGQI-VWLOTQADSA-N 485.584 5.131 50 10 JKGE C=CCN1C(=O)C(=Cc2cn(-c3ccccc3)nc2-c2cccc(OCCCC)c2)C(C)=C(C#N)C1=O 2314616700 HURPQHJKAQFZMJ-UHFFFAOYSA-N 492.579 5.496 50 10 JKGE CCOc1ccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)C=Cc4ccc(C)cc4)ccc32)cc1OCC 2314634393 MFCIATNSNUQVHA-GDLZYMKVSA-N 496.563 5.629 50 10 JKGE Clc1cc(I)c([C@H](Br)[C@@H]2OC[C@H]3CCCC[C@@H]32)s1 2316597870 XAYDFHCBNXHJSR-IWXIMVSXSA-N 461.590 5.647 50 10 JKGE Clc1cc(I)c([C@H](Br)C2Cc3ccccc3C2)s1 2316599610 SSGGMRCYRSBGND-CYBMUJFWSA-N 453.570 5.857 50 10 JKGE Fc1cc(Cl)c([C@@H](Cl)c2sc(Br)cc2Br)c(Cl)c1 2318359032 NNXIQPBWEROHFQ-SNVBAGLBSA-N 453.385 7.047 50 10 JKGE COc1cccc2c(Nc3ccc4[nH]c(C(=O)NN=Cc5ccc(SC)cc5)cc4c3)cc(C)nc12 2320425759 ZDSQJUKYFCIYLG-UHFFFAOYSA-N 495.608 6.263 50 10 JKGE Cc1nc(-c2ccc(Cl)c(Cl)c2)ccc1C(=O)NN=Cc1ccc(Cl)cc1Cl 2321248658 IMGVCGGWPVVHLN-UHFFFAOYSA-N 453.156 6.435 50 10 JKGE Cc1ccc(NC=C(C#N)C(=O)N2CCN(C(c3ccccc3)c3ccccc3)CC2)c(C)c1 2324603020 WGCUDPKTAKGOOZ-UHFFFAOYSA-N 450.586 5.057 50 10 JKGE CCN(Cc1ccc(I)c(Br)c1)[C@H]1CCC[C@@H]1Br 2325210716 AYJWARRWWJOKTJ-FZMZJTMJSA-N 487.017 5.192 50 10 JKGE BrC[C@]1(Cc2ccc(I)c(Br)c2)CCCC12CC2 2325220772 BTCNMTMEDLWBNA-OAHLLOKOSA-N 484.013 5.942 50 10 JKGE CC1(C)CCC[C@@H](Cc2ccc(I)c(Br)c2)[C@@H]1Br 2325225603 HDHBVMMSXLKLNO-FZMZJTMJSA-N 486.029 6.186 50 10 JKGE Cc1ccc(CCl)c(OCc2sccc2I)c1Br 2327789547 NEZXBCQPGZITMS-UHFFFAOYSA-N 457.558 5.741 50 10 JKGE COc1ccc(-c2csc(C(C#N)=C(O)[C@@H]3CC(=O)N([C@H](C)c4ccccc4)C3)n2)cc1C 2331259325 PTYWFEIYAORJSR-YLJYHZDGSA-N 459.571 5.530 50 10 JKGE CC[C@@H](C)[C@@H](C(O)=C(C#N)c1nc(-c2ccccc2OC)cs1)N1C(=O)c2ccccc2C1=O 2331282301 ARMXHAQSXOGWEQ-QRQCRPRQSA-N 473.554 5.322 50 10 JKGE CCCOc1ccc(-c2csc(C(C#N)=C(O)c3cc([N+](=O)[O-])cc([N+](=O)[O-])c3C)n2)cc1 2331318607 GFRVROISZUIFMD-UHFFFAOYSA-N 466.475 5.674 50 10 JKGE CCCCOc1ccc(C(O)=C(C#N)c2nc(-c3ccc(C(C)C)cc3)cs2)cc1OCC 2331341571 HIBSJNFXJQTIOX-UHFFFAOYSA-N 462.615 7.461 50 10 JKGE COc1cc(C)c(-c2csc(C(C#N)=C(O)c3cc([N+](=O)[O-])cc([N+](=O)[O-])c3)n2)cc1C(C)C 2331358470 AIQPUNUKUNNJNN-UHFFFAOYSA-N 480.502 6.017 50 10 JKGE COc1cc(OC)c(-c2csc(C(C#N)=C(O)c3ccc([N+](=O)[O-])c(C)c3)n2)cc1Cl 2331381164 QTULVEWZIFTHIE-UHFFFAOYSA-N 457.895 5.647 50 10 JKGE COc1cc(OC)c(-c2csc(C(C#N)=C(O)c3ccc(F)c(F)c3F)n2)cc1Cl 2331381178 SFUMNJVIVZNYBQ-UHFFFAOYSA-N 452.841 5.848 50 10 JKGE Cc1ccc(-c2csc(C(C#N)=C(O)c3ccc4c(c3)C(=O)N(c3ccc(F)cc3)C4=O)n2)cc1C 2331382778 HDKWFDZMJGWAAQ-UHFFFAOYSA-N 495.535 6.317 50 10 JKGE COc1ccc(-c2csc(C(C#N)=C(O)C(c3ccccc3)c3ccccc3)n2)c(OC)c1 2331385765 HSJZUYGXAHYAFO-UHFFFAOYSA-N 454.551 6.452 50 10 JKGE CCOc1ccc(-c2csc(C(C#N)=C(O)c3ccc(N(C)C)c([N+](=O)[O-])c3)n2)c(OCC)c1 2331389126 VGFYUCBIANJVHA-UHFFFAOYSA-N 480.546 5.532 50 10 JKGE CC[C@@H](C)[C@@H](C(O)=C(C#N)c1nc(-c2ccc(Cl)s2)cs1)N1C(=O)c2ccccc2C1=O 2331402343 QUBXNBPWCNSUEV-BLVKFPJESA-N 484.002 6.029 50 10 JKGE COc1ccc(Cl)cc1-c1csc(C(C#N)=C(O)c2ccc(N3CCCC3)c([N+](=O)[O-])c2)n1 2331411107 OBAMCPMAELCPCD-UHFFFAOYSA-N 482.949 5.930 50 10 JKGE CCOc1ccc(-c2csc(C(C#N)=Cc3ccc(OCc4ccccc4Cl)cc3)n2)cc1 2331440972 HEFHQIFPOJHLDJ-UHFFFAOYSA-N 472.997 7.505 50 10 JKGE CCCCCCCOc1ccc(-c2csc(C(C#N)=Cc3ccccc3OCCC)n2)cc1 2331460430 BCPJOKINXFKFRR-UHFFFAOYSA-N 460.643 8.012 50 10 JKGE Cn1ncc(Cl)c1[C@@H](Cl)c1c(Cl)cc(Br)c(F)c1Br 2337084887 QYQBXJUXDZTJLH-VIFPVBQESA-N 451.348 5.719 50 10 JKGE CC[C@]1([C@@H](Br)c2c(Cl)cc(Br)c(F)c2Br)CC1(F)F 2337110854 FTMMBBUQHSXOIL-WDEREUQCSA-N 485.363 6.876 50 10 JKGE Cc1c(Br)ccc([C@@H](Br)[C@@H]2[C@@H]3[C@H]2CCCC3(F)F)c1Br 2358115173 UMDXAPFNTAZJMQ-NVPWMLRNSA-N 472.993 6.637 50 10 JKGE CCc1ccc(OC)c([C@H](Cl)c2ccc(I)c(Br)c2)c1 2361927131 SZBLGOTZMALOJB-MRXNPFEDSA-N 465.556 5.953 50 10 JKGE CCCc1sc(Br)cc1[C@H](Br)c1cc(Cl)c(Cl)cc1C 2363257351 YJVMAEUSOBGCJP-OAHLLOKOSA-N 457.058 7.563 50 10 JKGE Cc1cc(Br)c(F)c(Br)c1[C@@H](Cl)c1cc2sccc2s1 2365175394 GQXCKWPIXDMWDJ-ZDUSSCGKSA-N 454.611 7.264 50 10 JKGE Cc1ccccc1C[C@H]1S/C(=C(\C#N)C(=O)Nc2ccc(Cl)cc2)N(c2ccc(F)cc2)C1=O 1790104 GTWDTRRZWTWDRP-QPQMVVSWSA-N 491.975 5.853 50 10 JKGE CCSc1sc(CC)cc1[C@@H]1C(C#N)=C(N)N(c2cccc(Cl)c2)C2=C1C(=O)CC(C)(C)C2 9981543 QLDSQOKLXNDGMW-JOCHJYFZSA-N 498.117 7.017 50 10 JKGE CC[C@H](Oc1ccccc1[C@H](C)CC)C(=O)NNC(=O)[C@@H](C)Oc1ccc(Cl)cc1Cl 10683316 DTQUOEGBYQJTRF-CLCXKQKWSA-N 467.393 5.279 50 10 JKGE Cc1cc(Br)cc(C)c1O[C@H](C)C(=O)NNC(=O)c1sc2ccccc2c1Cl 14643092 FUWJDIQEUSJEPX-GFCCVEGCSA-N 481.799 5.163 50 10 JKGE O=C(CSc1nc2ccccc2s1)N/N=C/c1c(O)ccc2cc(Br)ccc12 32520781 HOFLYMFOGWCRCG-LSHDLFTRSA-N 472.389 5.160 50 10 JKGE O=[N+]([O-])c1c(C(Cl)Cl)nn(-c2c(Cl)cc(Cl)cc2Cl)c1N1CCOCC1 33353579 JFTNBDASJPVMGT-UHFFFAOYSA-N 460.532 5.054 50 10 JKGE N#C/C(=C/c1cn(-c2ccccc2)nc1-c1ccc(Br)cc1)C(=O)N1CCCCC1 35341771 GBNHNRNJUDQKAK-CYVLTUHYSA-N 461.363 5.221 50 10 JKGE CCc1ccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4ccc(OC(C)C)cc4)ccc32)cc1 38677228 FEKHBZJYSJVDTO-SANMLTNESA-N 454.526 5.474 50 10 JKGE N#C/C(=C\c1ccc(-c2cc(Cl)ccc2Cl)o1)c1nc(-c2cccc([N+](=O)[O-])c2)cs1 39842929 GPIROHNSLBCRJS-NTEUORMPSA-N 468.321 7.349 50 10 JKGE CCCCCOc1cccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4cccc(OCC)c4)ccc32)c1 40530081 FBKPXRJYRHRKOC-MUUNZHRXSA-N 498.579 6.092 50 10 JKGE CCOc1ccc([C@@H](O)CCC(=O)N/N=C/c2cc(C(C)(C)C)c(O)c(C(C)(C)C)c2)cc1 58894612 UQFBRJKMFHUKOS-TUJXVDMFSA-N 454.611 5.350 50 10 JKGE COc1cc(/C=C(\C#N)C(=O)Nc2cc(Cl)ccc2Cl)cc(Br)c1OC 59117394 GRRQEYOBVWAGPR-VZUCSPMQSA-N 456.123 5.319 50 10 JKGE COc1ccc(CNC(=O)/C(C#N)=C/c2cc(Br)ccc2OCc2ccccc2)cc1 59297231 NALRTZWBMUTCKB-FYJGNVAPSA-N 477.358 5.260 50 10 JKGE CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(OC)cc2)ccc1OCc1ccccc1C#N 59433119 LXNDRSSSPBQIRQ-HYARGMPZSA-N 453.498 5.090 50 10 JKGE Fc1cc([C@@H](Br)c2ccc(I)cc2)c(F)cc1Br 70474535 KGXAWQNLVWQWFU-ZDUSSCGKSA-N 487.907 5.816 50 10 JKGE CC1=C(C#N)C(=O)N(CC(C)C)C(=O)/C1=C/c1ccc(OCc2ccc(Cl)cc2Cl)cc1 101334866 CHXGNRQFNWBMLP-UFFVCSGVSA-N 469.368 5.821 50 10 JKGE CCOC(=O)c1c(-c2ccc(Cl)cc2)csc1NC(=O)/C(C#N)=C\c1ccccc1Cl 102665373 AWMKCVFASAZEGK-WJDWOHSUSA-N 471.365 6.444 50 10 JKGE CCCCCCCC(=O)N/N=C1/C(=O)N(C(c2ccccc2)c2ccccc2)c2ccccc21 103739904 UDTBHMJUMDTDBP-TVKQRKNISA-N 453.586 6.004 50 10 JKGE CCc1ccccc1N/C(SCc1ccc(F)cc1)=C(\C#N)S(=O)(=O)c1ccccc1 104689152 JPMQYBBSUAAOPQ-VHXPQNKSSA-N 452.576 5.900 50 10 JKGE CCOc1ccc([C@H](Br)c2ccc(OC)c(Br)c2)c(Br)c1 123725391 HHCAKTKGIVDUJM-MRXNPFEDSA-N 479.006 6.103 50 10 JKGE FC(F)(F)c1ccc(C[C@@H](Br)c2csc(I)c2)cc1 124511953 KCFUTHWOPWUFNZ-LLVKDONJSA-N 461.084 6.050 50 10 JKGE Cc1cc(Br)c([C@@H](Br)c2c(F)cccc2Cl)cc1Br 128732351 AHDRZXDJLCDIRP-CQSZACIVSA-N 471.389 6.797 50 10 JKGE Cc1cc(Br)c([C@H](Br)c2cccc(F)c2F)cc1Br 128778634 CUVZLDHOUOJUEV-CYBMUJFWSA-N 454.934 6.283 50 10 JKGE Cc1cc(Br)c([C@@H](Br)c2cccc(Cl)c2F)cc1Br 128807659 MTVQWDJZRXRQEA-ZDUSSCGKSA-N 471.389 6.797 50 10 JKGE C[C@@H](Br)c1ccccc1NS(=O)(=O)c1cc(Cl)c(Br)s1 136602902 FDYPMNFKJMEZEZ-SSDOTTSWSA-N 459.612 5.421 50 10 JKGE CCCCOc1cccc(/C=N\NC(=O)c2ccc3[nH]c(Cc4ccc(OC)cc4)nc3c2)c1 169925582 CJUJNPCQCWEFGE-VEILYXNESA-N 456.546 5.105 50 10 JKGE Cc1sc([C@H](Br)c2cc(C(F)(F)F)ccc2Br)cc1Br 227833131 LSUWSSDLWHOALB-GFCCVEGCSA-N 492.980 7.085 50 10 JKGE O=C(NN=C(/C=C/c1ccccc1[N+](=O)[O-])c1ccccc1)c1ccccc1I 252461983 OXDZREZUYTXJRX-HEDCWAQDSA-N 497.292 5.047 50 10 JKGE COc1ccc(-c2cc(C(=O)NN=Cc3ccc(Cl)c(Cl)c3)c3ccccc3n2)cc1OC 252629427 UFPSZJLTQOOOAO-UHFFFAOYSA-N 480.351 5.990 50 10 JKGE 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 252693008 AAEWZCYGFQHOQA-NOOGSKNPSA-N 477.173 8.855 50 10 JKGE CC(C)(C)OC(=O)N1CCC(CBr)(OCc2ccccc2Br)CC1 303740679 BZZZAJFNNHIBOJ-UHFFFAOYSA-N 463.210 5.130 50 10 JKGE C[C@H](C(=O)Nc1ccc(-c2nc(CCl)cs2)cc1)N(Cc1ccccc1)Cc1ccccc1 304713967 RAYHKPKZQBOUSW-HXUWFJFHSA-N 476.045 6.578 50 10 JKGE Brc1cc([C@@H](Br)c2cc3c(cc2Br)OCC3)cs1 308421036 WIBXMJJOZFXRCT-CYBMUJFWSA-N 452.993 5.692 50 10 JKGE CCc1ccc(COc2c(Br)cc(Br)cc2CBr)s1 311624760 NAQPMKPLJWYVMS-UHFFFAOYSA-N 469.036 6.309 50 10 JKGE FC(F)(F)c1csc([C@H](Cl)c2cc(Cl)cc(Br)c2)c1Br 380270206 XBMBWYIASQZTIH-SNVBAGLBSA-N 468.947 7.274 50 10 JKGE C[C@H]1CN(Cc2ccccc2)C[C@@H]1n1c(CCl)nc2cc(I)c(F)cc21 389790102 PBQSUDRYZSPLRK-DJJJIMSYSA-N 483.756 5.212 50 10 JKGE CC[C@H](CC(F)(F)F)[C@H](Br)c1cc(Br)sc1Br 402600834 CVLOPCHGOMJADV-XRGYYRRGSA-N 458.963 6.688 50 10 JKGE Cc1ccc2c(c1)nc([C@H](C)Cl)n2CC1(N(Cc2ccccc2)Cc2ccccc2)COC1 705870121 SPKYQAYNFBTJDR-QFIPXVFZSA-N 460.021 6.116 50 10 JKGE ClCc1nc2c(Br)cccc2n1-c1cc(Cl)ccc1I 709771168 MYDPMFAEOJPZIA-UHFFFAOYSA-N 481.946 5.785 50 10 JKGE Clc1cccc(C[C@H](CBr)c2ccccc2Br)c1Br 719423962 YKACAQOQCVGATA-LLVKDONJSA-N 467.426 6.586 50 10 JKGE Brc1cc([C@@H](Br)Cc2ccccc2)ccc1I 721608173 DZATXMJEXYTWDH-LBPRGKRZSA-N 465.954 5.732 50 10 JKGE Fc1cccc([C@@H](Br)c2ccc(Cl)cc2Cl)c1I 721678873 KMJCYRVBJHEBFZ-LBPRGKRZSA-N 459.911 6.221 50 10 JKGE Fc1cccc([C@@H](Br)c2cc(Cl)ccc2Cl)c1I 721680180 PQYVWXDHFLRTGP-GFCCVEGCSA-N 459.911 6.221 50 10 JKGE CC1(C)CC(/C=C\c2ccc(N3N=C(c4ccccc4)C[C@@H]3c3ccccc3)cc2)=CC(=C(C#N)C#N)C1 1082888905 QIWADIDXDSJKMZ-BLACGIAASA-N 494.642 8.146 50 10 JKGE Cc1cc(C=NNC(=O)C(=O)Nc2ccc(C(C)C)cc2)c(C)n1-c1ccccc1C(F)(F)F 1084019533 WNLRNQDDHACTSZ-UHFFFAOYSA-N 470.495 5.325 50 10 JKGE CC(C)=CCC/C(C)=C/C=NNC(=O)COc1c(C)cc(Br)cc1Br 1084329082 FFJQMRAXEJLJCZ-QQYOYPFBSA-N 472.221 5.694 50 10 JKGE Cc1cc(C=NNC(=O)C(=O)Nc2ccc(Cl)cc2)c(C)n1-c1cc(Cl)cc(Cl)c1 1084513959 WXCZFBNEBXHDEL-UHFFFAOYSA-N 463.752 5.143 50 10 JKGE Cc1c(C(=O)N(C)Cc2ccccc2)oc2c1C(=NNC(=O)c1ccc(Br)cc1)CCC2 1772743789 KXWBELJMOWOLSF-UHFFFAOYSA-N 494.389 5.093 50 10 JKGE Cc1c(C(=O)Nc2cc(Cl)cc(Cl)c2)oc2c1C(=NNC(=O)c1cccnc1)CCC2 1772745472 BDSOTYDTLRFYNB-UHFFFAOYSA-N 457.317 5.013 50 10 JKGE Cc1cccc(NC(=O)c2oc3c(c2C)C(=NNC(=O)c2ccc(Cl)cc2Cl)CCC3)n1 1772746510 WAWHXYAIPKZFPY-UHFFFAOYSA-N 471.344 5.321 50 10 JKGE Cc1ccc(NC(=O)c2oc3c(c2C)C(=NNC(=O)c2ccc(Cl)cc2Cl)CCC3)nc1 1772746656 XZIQEWHHWWFNIG-UHFFFAOYSA-N 471.344 5.321 50 10 JKGE CCOc1ccc(NC(=O)c2oc3c(c2C)C(=NNC(=O)c2cccc4ccccc24)CCC3)cc1 1772748687 SPPZKMJMWXCTIW-UHFFFAOYSA-N 481.552 5.863 50 10 JKGE O=C(CSc1nc2ccccc2s1)NN=Cc1c(O)ccc2cc(Br)ccc12 1772760378 HOFLYMFOGWCRCG-UHFFFAOYSA-N 472.389 5.160 50 10 JKGE CCCc1nn(Cc2ccc(C)cc2)c2c1[C@@H](c1cccc(Br)c1)C(C#N)=C(N)O2 1865684070 MIOQCCRHOZYCQV-NRFANRHFSA-N 463.379 5.173 50 10 JKGE CC(C)c1ccc([C@H]2C(C#N)=C(N)Oc3c2c(C(F)(F)F)nn3-c2cccc(Cl)c2)cc1 1865685461 JDJIMOYSBSCKQZ-SFHVURJKSA-N 458.871 5.886 50 10 JKGE CCCOc1ccc([C@H]2C(C#N)=C(N)Oc3c2c(CC)nn3Cc2ccccc2F)cc1OCC 1865691304 PDKJDEZOVHBFJX-DEOSSOPVSA-N 476.552 5.039 50 10 JKGE CCCc1nn(Cc2ccc(C)cc2)c2c1[C@H](c1ccc(OC(C)C)c(OC)c1)C(C#N)=C(N)O2 1865696582 IDCVJGOINKZLTF-RUZDIDTESA-N 472.589 5.206 50 10 JKGE CCCc1nn(Cc2ccc(F)cc2)c2c1[C@@H](c1cc(Br)ccc1F)C(C#N)=C(N)O2 1865702170 ORQYBYYJVXDZPN-FQEVSTJZSA-N 485.332 5.143 50 10 JKGE CCCc1nn(CCC)c2c1[C@H](c1cccc(OC)c1OCc1cccc(C)c1)C(C#N)=C(N)O2 1865705601 ZWJOGMDKHNMWGT-XMMPIXPASA-N 472.589 5.360 50 10 JKGE Cc1nn(-c2ccc(Cl)cc2)c2c1[C@@H](c1cccc(OCc3ccccc3)c1)C(C#N)=C(N)O2 1865711601 CDNVWIBLMZURNH-VWLOTQADSA-N 468.944 5.631 50 10 JKGE CCCCC1CCC(C(=O)NNC(=O)c2ccc(-c3ccc(Cl)c(Cl)c3)nc2C)CC1 1865759187 MNNDTLHOJJLBDT-UHFFFAOYSA-N 462.421 6.121 50 10 JKGE Cc1nc(Cc2ccccc2)sc1C(=O)NNC(=O)CC(c1ccccc1)c1ccccc1 1865845080 HNMZJGPCMPBWPW-UHFFFAOYSA-N 455.583 5.026 50 10 JKGE CCCC[C@H](NC(=O)Cc1nc(-c2ccc(CC)cc2)oc1C)C(=O)Nc1ccc(SC#N)cc1 1867178892 JOQFGTUGBAEYKB-QHCPKHFHSA-N 490.629 5.642 50 10 JKGE C[C@H]1c2[nH]cnc2CCN1c1cc(Nc2ccc(SC#N)cc2)nc(Cc2ccccc2)n1 1868207088 FTPHQSLKIWJBJM-KRWDZBQOSA-N 453.575 5.231 50 10 JKGE COc1cc(/C=C(\C#N)c2ccccc2[N+](=O)[O-])ccc1OCc1c(Cl)ccc(Cl)c1Cl 1872729493 NIUAAHLRAOSLQC-XNTDXEJSSA-N 489.742 7.207 50 10 JKGE COc1cc(/C=C(\C#N)c2ccc(Cl)cc2F)ccc1OC(=O)c1ccc(Cl)cc1Cl 1872729691 ZUSRXPHYJNIUBC-RIYZIHGNSA-N 476.718 7.078 50 10 JKGE COc1ccc(-c2csc(/C(C#N)=C(O)/C(=C\c3ccccc3)c3ccccc3)n2)cc1OC 1872745287 GDSSIFWEPDDSEG-TVUFKDQDSA-N 466.562 6.861 50 10 JKGE N#C/C(=C(/O)[C@H]1CC(=O)N(Cc2ccccc2)C1)c1nc(-c2cccc(Br)c2)cs1 1872745808 DMIUPIBLLWLQQE-UBZKEQBWSA-N 480.387 5.414 50 10 JKGE C=CCOc1ccccc1OC/C(O)=C(\C#N)c1nc(-c2ccc(Oc3ccccc3)cc2)cs1 1872753616 GICSNZMFWPPDIH-BZZOAKBMSA-N 482.561 7.039 50 10 JKGE COc1cc(C)c(-c2csc(/C(C#N)=C(\O)COc3cc(C)c(Cl)c(C)c3)n2)cc1C 1872758401 YOYYZVMWPJWZCC-VZCXRCSSSA-N 454.979 6.577 50 10 JKGE CCc1ccc(-c2csc(/C(C#N)=C/c3cc(Br)cc(Br)c3O)n2)cc1 1872781542 HLRDHYLWKGRKDY-VIZOYTHASA-N 490.220 6.667 50 10 JKGE CCN(Cc1ccccc1)c1ccc(/C=C(\C#N)c2nc(-c3ccc4c(c3)OCCO4)cs2)cc1 1872792373 VKQQZJRVBGAHRZ-LFVJCYFKSA-N 479.605 6.672 50 10 JKGE CCCOc1ccc(-c2csc(/C(C#N)=C(\O)CCOc3ccccc3)n2)cc1OCCC 1872818081 LYUMXGBKOJJLLC-LNVKXUELSA-N 464.587 6.649 50 10 JKGE COc1ccc(C)cc1-c1csc(/C(C#N)=C(O)/C(=C\c2ccccc2)c2ccccc2)n1 1873920449 FWPHMVJMGJLPTC-NDBUTJIBSA-N 450.563 7.161 50 10 JKGE Cl[C@H](c1c(Br)sc(Br)c1Br)[C@@H]1C[C@H]1Br 1877356086 KVUDSHBILXDDCH-SAMGZKJBSA-N 488.264 6.099 50 10 JKGE C[C@H](CCBr)CCOc1cc(Br)cc(I)c1 1900984520 AOBRIFZCXPCZTE-SECBINFHSA-N 461.963 5.244 50 10 JKGE COc1cc(C)c([C@@H](Cl)c2cc(Br)c(Br)s2)cc1Br 1901586931 SYXBCQHBSQMYFJ-GFCCVEGCSA-N 489.454 6.681 50 10 JKGE COc1ccc(Br)cc1C(=O)N(Cc1ccccc1)[C@H](CBr)C1CC1 1915264529 LRRAWDRYXRRXIK-GOSISDBHSA-N 467.201 5.274 50 10 JKGE CC1([C@H](Br)c2c(Br)sc(Br)c2Cl)CC(F)(F)C1 1923061638 LOMYVUDTWBNAOK-ZCFIWIBFSA-N 473.402 6.798 50 10 JKGE Cc1ccc(Cl)c([C@@H](Br)c2cc(Br)c(Br)s2)c1 1925523295 FJAWSDCGKWORCY-LLVKDONJSA-N 459.428 6.719 50 10 JKGE CCc1cc(Br)c([C@@H](Cl)c2cc(Br)c(Br)s2)s1 1942098712 PIHLPRLWHFKOLP-VIFPVBQESA-N 479.484 6.988 50 10 JKGE Cc1cc([C@@H](Br)c2cc(I)ccc2F)sc1Br 2003650204 SDPQNHPMLNCDQW-NSHDSACASA-N 489.973 6.047 50 10 JKGE COc1ccc(C[C@H](Br)c2csc(Br)c2Br)cc1 2032953492 KEOCODSKYMMAIN-NSHDSACASA-N 455.009 5.960 50 10 JKGE CC1(C)CCC([C@@H](Cl)c2c(Br)sc(Br)c2Br)CC1 2039359482 KNDLYFJVIGQSPT-SNVBAGLBSA-N 479.503 7.532 50 10 JKGE COc1cc(-c2nnc(SC(=CC#N)c3ccc(F)cc3)n2C2CCCCC2)cc(OC)c1OC 2040488499 SHHTZSDJYFXYGT-UHFFFAOYSA-N 494.592 6.272 50 10 JKGE Brc1cc([C@H](Br)C2CC3(C2)CC32CCC2)c(Br)s1 2064003558 ZGIFNOAFJKLBMN-IYXOAMITSA-N 455.053 6.680 50 10 JKGE Cc1cc([C@@H](Br)c2cc(C3CC3)c(Br)s2)ccc1Br 2094673765 OJPWEVBDYLGBNP-CQSZACIVSA-N 465.048 6.943 50 10 JKGE O=C1c2ccccc2C(=O)N1CCCc1nccn1-c1c(CCl)ccc(Br)c1Cl 2098117033 LYKMZIFZFIQOAC-UHFFFAOYSA-N 493.188 5.256 50 10 JKGE CC1(C)CCC[C@H]([C@@H](Cl)c2c(Br)sc(Br)c2Br)CC1 2100838836 NZUARLXPNVADLO-GZMMTYOYSA-N 493.530 7.922 50 10 JKGE Fc1cccc([C@H](Br)CCc2cccc(Br)c2Br)c1 2113381321 IOXWGQMLZSLKDD-CYBMUJFWSA-N 450.971 6.420 50 10 JKGE CC1(C)CC[C@H](Br)[C@@H](Cc2cccc(Br)c2Br)CC1 2122931338 VJBZAOSREUIFGV-YPMHNXCESA-N 453.056 6.734 50 10 JKGE COCc1ccccc1[C@@H](Cl)c1c(Br)sc(Br)c1Br 2134734919 AMYDKUSOOQBZPR-LLVKDONJSA-N 489.454 6.510 50 10 JKGE Brc1ccc(Br)c([C@H](Br)[C@@H]2C[C@H]2C2CCCCC2)c1 2135274654 XHGULHLFXWCESL-WOSRLPQWSA-N 451.040 6.864 50 10 JKGE Cc1c(Br)ccc([C@H](Br)[C@]23CCC[C@H]2OCC3)c1Br 2138865604 MYCKKSTYFPBVND-SNPRPXQTSA-N 453.012 5.915 50 10 JKGE Cc1c(Br)ccc([C@@H](Br)[C@@H](C)C2CCCCC2)c1Br 2138873579 PZXKOEVHCVFGCI-BONVTDFDSA-N 453.056 7.172 50 10 JKGE Cc1c(F)ccc([C@H](Cl)c2cc(I)ccc2Br)c1C 2138907742 AGPFWLHHZNCQMW-HNNXBMFYSA-N 453.520 6.138 50 10 JKGE FC1(F)CCC[C@@H]1CCOc1c(Br)cc(Br)cc1CBr 2144194614 BGMCXJVSXBYXEK-SNVBAGLBSA-N 476.981 6.311 50 10 JKGE C[C@H]1Cc2cc(Br)cc([C@@H](Br)c3scc(Cl)c3Cl)c2O1 2152527179 AHMWFRBXQCMXEC-UPONEAKYSA-N 457.014 6.625 50 10 JKGE ClCc1nc2cc(Br)c(Cl)cc2n1[C@@H]1CCCCN(Cc2ccccc2)C1 2159873653 JAGJONQOJLEGDR-MRXNPFEDSA-N 467.238 6.418 50 10 JKGE CC(C)(C)OC(=O)N1CC[S@@](=O)(=NCCCCCCCCCBr)C(C)(C)C1 2189325380 QLXWITJKCLVUDT-MHZLTWQESA-N 467.514 5.609 50 10 JKGE COc1cc(F)c([C@@H](Cl)c2cc(I)ccc2F)cc1Br 2202908773 CJITWDVDDDITCD-AWEZNQCLSA-N 473.482 5.669 50 10 JKGE COc1c(C)cc(Br)cc1[C@@H](Br)c1cccc(F)c1Br 2206572934 YPSOMDRLVQIOEI-ZDUSSCGKSA-N 466.970 6.152 50 10 JKGE FC1(F)CCC[C@H](O[C@H](CI)c2cccc(Br)c2)CC1 2207036874 FOQCIXLLWGWOCX-UONOGXRCSA-N 459.112 5.910 50 10 JKGE COc1cc(F)c(Cl)cc1[C@H](Br)c1ccc(I)c(C)c1 2207351976 PPHHDGMLRIHNLN-OAHLLOKOSA-N 469.519 5.885 50 10 JKGE Cc1csc([C@@H](Br)Cc2ccc(Br)cc2Cl)c1Br 2221695315 MSBMYMVDFVKUAO-JTQLQIEISA-N 473.455 6.914 50 10 JKGE Clc1cc(Cl)cc(C[C@@H](Br)c2ccccc2I)c1 2224003623 MNKDSVBRBDRKIY-CYBMUJFWSA-N 455.948 6.277 50 10 JKGE CO[C@@H]1C[C@]2([C@H](Br)c3c(Br)cc(C)c(Br)c3C)C[C@H]12 2227346345 CRGAWXXEOBMLHS-NZQZLILVSA-N 453.012 5.689 50 10 JKGE COc1cc(Br)c([C@@H](Cl)c2csc(Br)c2Br)cc1C 2227737250 GTVWKIWDNWIZEV-GFCCVEGCSA-N 489.454 6.681 50 10 JKGE CC(C)(C)OC(=O)N1CCC[C@](CI)(O[C@H]2CCC[C@@H](C(F)(F)F)C2)C1 2231383411 IDWMCOUSBYKEMR-JKIFEVAISA-N 491.332 5.329 50 10 JKGE ClCCc1nc2cc(Br)c(Br)cc2n1-c1cscc1Br 2234066629 MVTJCRXNAFRGBH-UHFFFAOYSA-N 499.453 6.156 50 10 JKGE COc1cccc([C@H](Br)c2c(Br)cc(C)c(Br)c2C)c1 2235603516 JJORIPWANHOJSD-INIZCTEOSA-N 463.007 6.321 50 10 JKGE Brc1coc([C@H](Br)c2ccc(Br)cc2Br)c1 2244221571 GJJZIWYNGCWASS-LLVKDONJSA-N 473.784 6.051 50 10 JKGE Cl[C@@H](c1cc(I)sn1)c1cc2sc(Br)cc2s1 2252911018 PXNHXWIGOJBENV-JTQLQIEISA-N 476.611 6.115 50 10 JKGE Cc1cc(Br)c(C)c([C@H](Cl)c2cocc2Br)c1Br 2258147225 WXYBVPMPIFHGHE-CYBMUJFWSA-N 457.387 6.512 50 10 JKGE COc1c(Br)cc(Cl)cc1[C@H](Br)c1cc(Br)co1 2263534019 SPNHDMFEBOGIJW-NSHDSACASA-N 459.359 5.951 50 10 JKGE Cc1c(Br)sc([C@H](Br)C2(C)CC(C(F)(F)F)C2)c1Br 2264649385 BCMNBZYKELEGAK-CJPHDETBSA-N 485.001 6.996 50 10 JKGE Fc1cc(Br)c(F)c(Br)c1[C@H](Br)C12CCC(CC1)O2 2272748620 XLMWWUCNIJTWHP-BZCBFNEHSA-N 460.938 5.637 50 10 JKGE COc1c(Br)cc(Cl)c(C)c1[C@@H](Cl)c1cc(I)sn1 2277894764 AAYHVUWAVXZHGT-NSHDSACASA-N 492.991 5.809 50 10 JKGE Brc1cc(Br)cc(C[C@H](Br)C2[C@H]3CCCCC[C@H]23)c1 2277953185 ONIIEGCJBIUHHG-KKUMJFAQSA-N 451.040 6.344 50 10 JKGE Brc1cc(Br)cc(C[C@H](Br)C2(CC3CC3)CCC2)c1 2277953474 SAIIFBAXFGLJRG-HNNXBMFYSA-N 451.040 6.488 50 10 JKGE COc1c([C@H](Cl)c2ccccc2I)cc(Br)c(C)c1C 2284586938 YQRALFLCGVIWJX-OAHLLOKOSA-N 465.556 6.007 50 10 JKGE Fc1cc(Br)c(F)c(Br)c1[C@H](Br)[C@@H]1C[C@H]2O[C@H]1[C@@H]1C[C@H]21 2288496677 KEOMVYGQYHFJBS-RYQFWNGMSA-N 472.949 5.349 50 10 JKGE COc1c(C)cc(C)cc1[C@@H](Br)c1ccc(Br)cc1Br 2295301738 PIHFIJFFMORNAK-HNNXBMFYSA-N 463.007 6.321 50 10 JKGE FC(F)(F)c1sccc1[C@@H](Br)Cc1cc(Br)cc(Br)c1 2295330937 BOQQMOBUONJIOW-NSHDSACASA-N 492.980 6.971 50 10 JKGE N#CC(C(=O)NCc1ccccc1)=C1S[C@H](Cc2ccc(F)cc2)C(=O)N1c1ccc(Cl)cc1 2296834968 HOMPCDJDJODJME-HSZRJFAPSA-N 491.975 5.222 50 10 JKGE CC1(C)C[C@@H]([C@@H](Br)c2cc(Br)ccc2OCc2ccccc2)CO1 2299503338 DWXBINMFXRNLIT-DNVCBOLYSA-N 454.202 6.279 50 10 JKGE Brc1ccc(OCc2ccccc2)c([C@H](Br)CCC2CCCC2)c1 2299534919 JHGRIDZYZQBEAN-HXUWFJFHSA-N 452.230 7.435 50 10 JKGE COc1cccc(C=C(C#N)C(=O)Nc2cccc(Cl)c2Cl)c1OCc1ccccc1Cl 2313631467 QOAVFMGGWAQCGS-UHFFFAOYSA-N 487.770 6.780 50 10 JKGE Brc1ccc(OCc2ccccc2)c([C@@H](Br)C2CCC3(CC2)CC3)c1 2314452497 NVPWLSRMHFORIM-NRFANRHFSA-N 464.241 7.435 50 10 JKGE Brc1cc(OCc2ccccc2)ccc1[C@H](Br)[C@@H]1CO[C@@H]2COC[C@@H]21 2314497116 HSHFXRIKQAOIRI-LFGUQSLTSA-N 468.185 5.126 50 10 JKGE CCc1ccc(N2C(=O)[C@@H](Cc3ccc(C)c(C)c3)SC2=C(C#N)C(=O)Nc2ccc(C)cc2)cc1 2314592674 ZXDVLRRUMNUWHU-HHHXNRCGSA-N 495.648 6.239 50 10 JKGE Fc1c(Br)cc(Cl)c([C@@H](Cl)c2csc(Br)c2)c1Br 2315453102 JOKCULRKSHXSSW-JTQLQIEISA-N 497.836 7.156 50 10 JKGE CCCc1sc(Br)cc1[C@H](Br)c1ccccc1Br 2316171316 NDRNGMHKCWGXDC-CQSZACIVSA-N 453.037 6.710 50 10 JKGE COCc1ccc([C@H](Cl)c2c(Br)sc(Br)c2Cl)s1 2319404604 XFHJGUMXMYCSBR-QMMMGPOBSA-N 451.032 6.463 50 10 JKGE N#CC(=CNc1ccc(Cl)cc1Cl)C(=O)N1CCN(C(c2ccccc2)c2ccccc2)CC1 2324598992 ZOODGFRVPUVCNE-UHFFFAOYSA-N 491.422 5.747 50 10 JKGE CC1(C)CO[C@](CBr)(Cc2ccc(I)c(Br)c2)C1 2325236459 HZYZUHDLNQIPHE-CQSZACIVSA-N 488.001 5.176 50 10 JKGE COc1ccccc1N1CCN(C=C(C#N)C(=O)Nc2ccccc2Sc2ccccc2)CC1 2325339414 QZPFFRMVZWPZJD-UHFFFAOYSA-N 470.598 5.015 50 10 JKGE N#CC(=C(O)CCc1nc2ccccc2[nH]c1=O)c1nc(-c2ccc3ccccc3c2)cs1 2331238900 CNUYQGFKOGPPBG-UHFFFAOYSA-N 450.523 5.625 50 10 JKGE Cc1cc(-c2csc(C(C#N)=C(O)[C@@H](C)Oc3ccc(Cl)cc3Br)n2)ccc1F 2331320707 WPUGAJRMCJDOGE-GFCCVEGCSA-N 493.785 6.934 50 10 JKGE CCCCCCCOc1ccc(-c2csc(C(C#N)=C(O)c3cc(OC)cc(OC)c3)n2)cc1 2331344812 OQRRRUWRZHSHAZ-UHFFFAOYSA-N 478.614 7.126 50 10 JKGE CCCCCCCOc1ccc(-c2csc(C(C#N)=C(O)c3ccc(Cl)c([N+](=O)[O-])c3)n2)cc1 2331345928 KSLDDNWCPKJVEP-UHFFFAOYSA-N 498.004 7.671 50 10 JKGE N#CC(=C(O)c1ccc2c(c1)C(=O)N(Cc1ccco1)C2=O)c1nc(-c2ccc(F)c(F)c2)cs1 2331352077 BNQDWJWGPHBJSI-UHFFFAOYSA-N 489.459 5.427 50 10 JKGE COc1c(Cl)cc(Cl)cc1-c1csc(C(C#N)=C(O)CCCOc2ccc(Cl)cc2)n1 2331362925 ZLJXEVLTHSAKLB-UHFFFAOYSA-N 495.815 7.431 50 10 JKGE CCOc1ccc(-c2csc(C(C#N)=C(O)CCCOc3ccccc3)n2)c(OCC)c1 2331389154 YRJCFPNMQKUBOY-UHFFFAOYSA-N 450.560 6.259 50 10 JKGE COc1cc(C=C(C#N)c2nc(-c3ccccc3Cl)cs2)ccc1OCCc1ccccc1 2331430323 DVCHPWMYVTWFOR-UHFFFAOYSA-N 472.997 7.158 50 10 JKGE COc1cc(C=C(C#N)c2nc(-c3ccc4c(c3)OCCO4)cs2)ccc1OCc1ccc(C)cc1 2331451244 HCHJXUSGPDMEIY-UHFFFAOYSA-N 496.588 6.542 50 10 JKGE COc1cc(-c2csc(C(C#N)=Cc3cc(Br)ccc3F)n2)c(OC)cc1Cl 2331470975 BBVQVRMSSNYHJW-UHFFFAOYSA-N 479.758 6.446 50 10 JKGE CO[C@@H]1C[C@@]2([C@@H](Br)c3c(C)c(Br)cc(C)c3Br)C[C@@H]12 2332925772 PXZYFMWLZZQVEQ-OKFJQDPLSA-N 453.012 5.689 50 10 JKGE Fc1cc(C[C@H](Cl)c2cc(Br)ccc2OCc2ccccc2)ccc1Cl 2336042960 BXWLDRFCHMOQQR-IBGZPJMESA-N 454.166 7.343 50 10 JKGE Fc1cc(F)c([C@@H](Br)c2c(Cl)sc(Br)c2Cl)cc1F 2336115512 LXCHBIMHHWAACQ-MRVPVSSYSA-N 454.920 6.719 50 10 JKGE Cc1cc(Br)c(F)c(Br)c1[C@@H](Br)CCC1CCCC1 2339646232 PDNQVTUTHNTUEZ-NSHDSACASA-N 457.019 7.066 50 10 JKGE CCCO[C@@H]1[C@@H](Br)C[C@@H]1OCc1c(Br)cccc1Br 2340568434 PZNSKYBLRZBCHO-MELADBBJSA-N 457.000 5.059 50 10 JKGE Fc1cc(Cl)c(Br)c(Cl)c1[C@@H](Br)[C@H]1[C@@H]2[C@H]1CCC2(F)F 2360482561 ZJCZAHOJEKTTBK-UHBGNKQESA-N 452.923 6.622 50 10 JKGE CC1([C@@H](Cl)c2ccc(OCc3ccccc3)cc2Br)CC2(CC(F)(F)C2)C1 2361202116 YQYRWGQLZDVWMO-IBGZPJMESA-N 455.770 7.524 50 10 JKGE Fc1c(Br)cc(Cl)c([C@@H](Br)C[C@@H]2CCCOCC2)c1Br 2362246664 CETNKHWWJCCSGP-BDAKNGLRSA-N 493.436 6.647 50 10 JKGE Cn1nc(Br)c(Br)c1[C@@H](Br)Cc1nc2ccccc2s1 2364233860 GBEUUBASDWKODG-ZETCQYMHSA-N 480.023 5.234 50 10 JKGE Cc1cc(Br)c(F)c(Br)c1[C@@H](Br)[C@H]1CCCOC1(C)C 2365194375 QFBZHQBTYLZDIL-SKDRFNHKSA-N 473.018 6.300 50 10 JKGE C[C@H](Br)CN(C(=O)c1ccc(Br)cc1Br)C1CCCC1 2368847577 PDJDQFYENDACLK-JTQLQIEISA-N 468.027 5.380 50 10 JKGE CC(C)c1cccc([C@H](Br)Cc2cc(Br)cc(Br)c2)c1 2369657642 VXDPGISYKYZJMT-QGZVFWFLSA-N 461.035 7.014 50 10 JKGE Clc1ccc([C@@H](CBr)OCc2cc(I)ccc2Cl)cc1 2380352848 FJJYNFCCJDPPFU-OAHLLOKOSA-N 485.974 6.251 50 10 JKGE O=C(NC1CCCCC1)[C@H](c1ccccc1F)N(Cc1ccccc1Cl)C(=O)CCl 3033922 JAJIVDCOFZZSJX-QFIPXVFZSA-N 451.369 5.237 50 10 JKGE O=C(CCCOc1ccc(Cl)cc1Cl)NNC(=O)c1ccccc1OCCc1ccccc1 10509101 DNAFOKUMKAEYBV-UHFFFAOYSA-N 487.383 5.235 50 10 JKGE C/C(=N\NC(=O)[C@@H](C)Oc1ccc(Cl)cc1C)c1ccc(NC(=O)C2CCCCC2)cc1 20352607 WGIAUKHWYMWUSI-OQIQZUQJSA-N 455.986 5.475 50 10 JKGE CCOC(=O)c1ccc(-c2ccc(/C=C(/C#N)c3nc(-c4cccc5ccccc45)cs3)o2)cc1 35568786 XPKUWQMCRWNETE-JWGURIENSA-N 476.557 7.464 50 10 JKGE COc1ccc(CC(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@@H]3c2ccc(C(C)(C)C)cc2)cc1 38649885 RXARKGHXHRHAMK-HHHXNRCGSA-N 468.553 5.359 50 10 JKGE Cc1ccccc1C(=O)Oc1ccc2c(c1)OC(N)=C(C#N)[C@H]2c1ccccc1Br 38678459 FNLQWZKXURCJNS-QFIPXVFZSA-N 461.315 5.195 50 10 JKGE CCCCCOc1ccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4cccc(OCC)c4)ccc32)cc1 38685482 HWUVDCCNOHHLHV-MUUNZHRXSA-N 498.579 6.092 50 10 JKGE N#C/C(=C\c1ccc(-c2ccc(Cl)cc2Cl)o1)c1nc(-c2ccc([N+](=O)[O-])cc2)cs1 39885077 ZRCLDQXVQSJUGK-NTEUORMPSA-N 468.321 7.349 50 10 JKGE Cc1c(C(=O)Nc2ccc(C(C)C)cc2)oc2c1/C(=N/NC(=O)c1cccc3ccccc13)CCC2 40813564 YEYFKWDBZOACGU-WGPBWIAQSA-N 479.580 6.587 50 10 JKGE CCCOc1ccccc1/C=C(\C#N)C(=O)Nc1nc(-c2ccc(Br)cc2)cs1 40948929 XDOPNOXORFGFGP-SFQUDFHCSA-N 468.376 5.907 50 10 JKGE CCOc1cc(/C=C(/C#N)c2nc3ccccc3s2)ccc1Oc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] 83292736 NMNSPDHKFNDTEQ-WJDWOHSUSA-N 488.481 6.368 50 10 JKGE COc1cc(/C=C(/C#N)C(=O)c2c(C)[nH]c3ccccc23)ccc1OCc1ccccc1Cl 89534377 KUQCAAUIDDGCIK-MOSHPQCFSA-N 456.929 6.507 50 10 JKGE CCn1nc(C)c(Br)c1C[C@H](CBr)Cc1ccccc1Br 97185876 KWCINYBZFJVZRP-GFCCVEGCSA-N 479.054 5.533 50 10 JKGE CCCCCCCCCCCCCC(=O)NNC(=O)c1ccc(NC(=O)c2ccccc2C)cc1 100442994 RVRLOEFUSUIRPF-UHFFFAOYSA-N 479.665 6.709 50 10 JKGE CCc1ccc(N2C(=O)[C@H](Cc3ccccc3C)S/C2=C(/C#N)C(=O)N[C@@H](C)c2ccccc2)cc1 101242807 NCEQSRYKWZKHLE-IIXITYHRSA-N 495.648 5.861 50 10 JKGE CC1=C(C#N)C(=O)N(C2CCCCC2)C(=O)/C1=C/c1ccc(OCc2ccc(Cl)cc2)cc1 101339098 MLHWSPRPRHAMCU-BUVRLJJBSA-N 460.961 5.844 50 10 JKGE CCOc1ccc(N/C(SCc2ccccc2Cl)=C(\C#N)C(=O)NCc2ccco2)cc1 105422784 FEUCTCHLFJZLPV-FLFQWRMESA-N 467.978 5.729 50 10 JKGE Brc1ccc(Br)c([C@@H](Br)[C@H]2COc3ccccc3O2)c1 109844507 SJFHHWRRFAYAES-HUUCEWRRSA-N 462.963 5.488 50 10 JKGE Cc1ccc(Br)c([C@H](Br)c2cc3c(cc2Br)OCCO3)c1 161760821 FKYDOMUSVGMODV-INIZCTEOSA-N 476.990 5.776 50 10 JKGE CC[C@@H](Br)C(=O)NCc1ccc(-c2nc(-c3ccc(OC)c(OC)c3)cs2)cc1 170483172 GELGGCNPHROBFC-QGZVFWFLSA-N 475.408 5.284 50 10 JKGE CCCCCCOc1ccc(/C=C(/C#N)C(=O)Nc2ccc(C(=O)OCC(C)C)cc2)cc1OC 206237588 WYBXYWBTKQBZEK-KQWNVCNZSA-N 478.589 6.013 50 10 JKGE C=CCOc1ccc(-c2nn(-c3ccccc3)cc2/C=C2\C(=O)N([C@@H](C)CC)C(=O)C(C#N)=C2C)cc1 214258680 SZTAPJHYYATLKQ-WFSKJOQISA-N 492.579 5.495 50 10 JKGE C=CCN1C(=O)C(C#N)=C(C)/C(=C/c2cn(-c3ccccc3)nc2-c2ccc(OCCC)cc2)C1=O 214352506 DOJZIKVSXSPWLJ-UQQQWYQISA-N 478.552 5.106 50 10 JKGE CCc1ccccc1N/C=C(/C#N)C(=O)N1CCN(C(c2ccccc2)c2ccccc2)CC1 216503345 YMASOGQOVJBWCK-ROMGYVFFSA-N 450.586 5.002 50 10 JKGE Cc1ccc2nc(-c3ccc(N/C=C(/C#N)C(=O)Nc4ccccc4C(F)(F)F)cc3)sc2c1 217064373 QPLDZTATUNLXFP-VKAVYKQESA-N 478.499 6.749 50 10 JKGE N#C/C(=C\c1ccc([N+](=O)[O-])cc1)C(=O)N1N=C2/C(=C\c3ccccc3)CCC[C@@H]2[C@@H]1c1ccccc1 229263414 MYIRVKFXDUJNEP-OYZCFUAESA-N 488.547 6.325 50 10 JKGE Clc1cc([C@@H](Br)c2csc3ccccc23)ccc1I 232343278 BICFEWAOQWVIDG-OAHLLOKOSA-N 463.565 6.644 50 10 JKGE COCCc1ccc([C@@H](Br)c2cc(Cl)ccc2I)cc1 234694876 VRHDWSDIPISWDM-MRXNPFEDSA-N 465.556 5.618 50 10 JKGE COc1ccc([C@H](Cl)c2cc(Br)ccc2I)c(Cl)c1 234991037 SRPXBSLKKMCBOU-AWEZNQCLSA-N 471.947 6.044 50 10 JKGE CCC(=NNC(=O)c1cc(-c2ccc(OC)cc2OC)nc2ccccc12)c1ccc(Cl)s1 252625065 QCCZYNSJYPMVPI-UHFFFAOYSA-N 479.989 6.178 50 10 JKGE CC(=NNC(=O)CSc1nnc(-c2ccc(C)cc2)n1C1CCCCC1)c1ccc(F)cc1 254713000 IXICHGGQCVZYRC-UHFFFAOYSA-N 465.598 5.530 50 10 JKGE CC(=NNC(=O)Cc1ccc(Cl)c(Cl)c1)c1ccc(NC(=O)c2ccc(Cl)s2)cc1 254845866 SRTCFGOALISECR-UHFFFAOYSA-N 480.804 6.044 50 10 JKGE C[C@@H]1C[C@H](O[C@]2(CI)CCCN(C(=O)OC(C)(C)C)C2)CC(C)(C)C1 310598121 VRQZUYHLTZWEDW-GUXCAODWSA-N 465.416 5.423 50 10 JKGE C[C@H]1C[C@@H](C)C[C@H](Oc2c(Br)cc(Br)cc2CBr)C1 311569536 UMPADBDHSKAVMX-IWIIMEHWSA-N 455.028 6.310 50 10 JKGE C[C@@H](Cl)c1nc2cc(F)c(Cl)cc2n1CCCN(Cc1ccccc1)Cc1ccccc1 390494974 QVZWIIADDFOEMI-LJQANCHMSA-N 470.419 7.221 50 10 JKGE CCO/C(O)=C(\C#N)[C@H](c1ccccc1)[C@@H](C(=O)Nc1ccc(Br)cc1)[n+]1ccccc1 585145736 RJVXZOZSUZGBPQ-NMPLSFHDSA-O 493.381 5.030 50 10 JKGE C[C@@H](COc1c(Br)cc(Br)cc1CBr)CC(F)F 687882278 IPEPWAPRQOOIRZ-SSDOTTSWSA-N 450.943 5.777 50 10 JKGE BrCc1ccc(N2CCC3(CCN(Cc4ccccc4)CC3)CC2)c(Br)c1 691941133 PWEUPVYIZLHBQI-UHFFFAOYSA-N 492.299 6.227 50 10 JKGE C[C@H](Cl)c1nc2cc(I)ccc2n1[C@H]1CN(Cc2ccccc2)CC1(C)C 720702282 JOYVVMIEGJXTAH-YWZLYKJASA-N 493.820 6.024 50 10 JKGE Cc1ccc(NC(=O)/C(C#N)=C\c2ccc(OCc3ccccc3)c(Br)c2)cc1C 725427277 UYDPNLHRCNKOES-BKUYFWCQSA-N 461.359 6.191 50 10 JKGE Cc1cc(/C=C(/C#N)C(=O)N2CCN(c3ccccc3)CC2)c(C)n1-c1ccc(-c2ccccc2)cc1 1084102454 FBTQTXZHDIHKNL-IADYIPOJSA-N 486.619 6.017 50 10 JKGE N#C/C(=C/c1cccc(OCc2ccc(Br)cc2)c1)C(=O)Nc1cccc2ccccc12 1084375657 CELXZLOGHAIWMR-JCMHNJIXSA-N 483.365 6.727 50 10 JKGE Cc1ccc(C(=O)Nc2ccccc2C(=O)NN=Cc2ccc(Cl)cc2Cl)cc1[N+](=O)[O-] 1084404322 YYDWYCZIDJJSKY-UHFFFAOYSA-N 471.300 5.226 50 10 JKGE O=C(NN=Cc1ccc(OCc2ccc(Cl)cc2)cc1)c1cccc(I)c1 1084492417 FMIHXENJCADREM-UHFFFAOYSA-N 490.728 5.288 50 10 JKGE Cc1cc(C=NNC(=O)c2ccc(Cl)cc2Cl)c(C)n1-c1ccc(C(=O)O)c(Cl)c1 1084605791 YEVBUMMZYISJPX-UHFFFAOYSA-N 464.736 5.516 50 10 JKGE Cc1ccc(C(C)C)c(OC(=O)c2oc3c(c2C)C(=NNC(=O)COc2ccccc2)CCC3)c1 1772749420 LAMNPRORVUKSRX-UHFFFAOYSA-N 474.557 5.475 50 10 JKGE Cc1c(C(=O)Nc2ccccc2C(F)(F)F)oc2c1C(=NNC(=O)c1cccs1)CCC2 1772749996 UWBCBEHADCCQKE-UHFFFAOYSA-N 461.465 5.391 50 10 JKGE N#CC1=C(N)Oc2c(c(C(F)(F)F)nn2Cc2ccccc2Cl)[C@@H]1c1ccc(Cl)cc1 1865683327 IWWPPNJVTCZBOU-MRXNPFEDSA-N 465.262 5.475 50 10 JKGE COc1cccc([C@@H]2C(C#N)=C(N)Oc3c2c(-c2ccccc2)nn3-c2ccc(Cl)cc2)c1O 1865684059 MCABSCNVHSRYEH-OAQYLSRUSA-N 470.916 5.125 50 10 JKGE COc1ccc(-c2nn(Cc3ccccc3)c3c2[C@@H](c2cc(Cl)ccc2O)C(C#N)=C(N)O3)cc1 1865689031 IFCCQFRNXZMOSZ-QHCPKHFHSA-N 484.943 5.184 50 10 JKGE CCCc1nn(-c2cccc(Cl)c2)c2c1[C@H](c1ccc(OCC)c(OCC)c1)C(C#N)=C(N)O2 1865689356 QHADAGFBBBXBLQ-HSZRJFAPSA-N 478.980 5.494 50 10 JKGE CCc1nn(-c2ccc(Cl)cc2)c2c1[C@H](c1ccc(OCc3ccccc3)cc1)C(C#N)=C(N)O2 1865690708 ZFSIKBZQQOJKGV-RUZDIDTESA-N 482.971 5.885 50 10 JKGE CCCCOc1ccc([C@H]2C(C#N)=C(N)Oc3c2c(CCC)nn3-c2ccc(Cl)c(Cl)c2)cc1 1865692117 JEKZTSBFPGEZEF-QHCPKHFHSA-N 497.426 6.529 50 10 JKGE CCOc1c(OC)cccc1[C@H]1C(C#N)=C(N)Oc2c1c(CC)nn2-c1cccc2ccccc12 1865692145 BNFODDQEEVHMSN-DEOSSOPVSA-N 466.541 5.213 50 10 JKGE CCOc1c(OC)cccc1[C@H]1C(C#N)=C(N)Oc2c1c(-c1ccccc1)nn2-c1ccc(OC)cc1 1865692670 HJQANDAGRKGHSM-DEOSSOPVSA-N 494.551 5.173 50 10 JKGE COc1ccc(-c2nn(Cc3c(F)cccc3Cl)c3c2[C@H](c2ccco2)C(C#N)=C(N)O3)cc1 1865697874 DPCJMVQQCSVHGD-NRFANRHFSA-N 476.895 5.211 50 10 JKGE COc1ccc(-c2nn(CC(C)C)c3c2[C@@H](c2cc(Br)ccc2F)C(C#N)=C(N)O3)cc1 1865702148 NZVWZOYETPGCSP-FQEVSTJZSA-N 497.368 5.334 50 10 JKGE CCCc1nn(-c2cccc3ccccc23)c2c1[C@H](c1ccc(Cl)c([N+](=O)[O-])c1)C(C#N)=C(N)O2 1865706068 MUUXIKFSLLBUFH-HSZRJFAPSA-N 485.931 5.758 50 10 JKGE CSCC[C@@H](NC(=O)C[C@@H](CC(C)C)c1ccc(F)cc1)C(=O)Nc1ccc(SC#N)cc1 1867109061 LJLKIHSAIYBDEC-AUSIDOKSSA-N 487.666 5.795 50 10 JKGE COc1cccc(-c2csc(/C(C#N)=C(\O)[C@H](CCSC)N3C(=O)c4ccccc4C3=O)n2)c1 1872744346 NQBAGTFRMMFGEG-NNWMPZTLSA-N 491.594 5.029 50 10 JKGE Cc1ccc(N2C(=O)c3ccc(/C(O)=C(\C#N)c4nc(-c5ccc(F)cc5)cs4)cc3C2=O)c(C)c1 1872752084 MPGZIAGDJANOHD-LVWGJNHUSA-N 495.535 6.317 50 10 JKGE C[C@H](c1ccccc1)N1C[C@@H](/C(O)=C(\C#N)c2nc(-c3c[nH]c4ccccc34)cs2)CC1=O 1872753493 ZOWRUBBFRXIPGP-NVJGZOQRSA-N 454.555 5.694 50 10 JKGE N#C/C(=C(/O)c1ccc2c(c1)C(=O)N(C1CCCCC1)C2=O)c1nc(-c2ccc(Cl)s2)cs1 1872758098 LCOCVYDUOAJMSS-FXBPSFAMSA-N 496.013 6.404 50 10 JKGE COc1cc(/C=C(\C#N)c2nc(-c3ccc(F)cc3F)cs2)ccc1OCc1ccc(Cl)cc1 1872784471 NUCAGBLHBBNHIT-VCHYOVAHSA-N 494.950 7.393 50 10 JKGE CCOc1ccc(-c2csc(/C(C#N)=C/c3cc(Br)c(OCC)c(OC)c3)n2)cc1 1872790338 BJTMNFGWHLXTSU-LICLKQGHSA-N 485.403 6.443 50 10 JKGE CCc1nn(C)c(C[C@@H](Br)c2cccc(Br)c2)c1Br 1877158852 DJIUNYARAHQCAB-LLVKDONJSA-N 451.000 5.186 50 10 JKGE CC(C)(CBr)N(Cc1ccccc1)Cc1sc(Cl)cc1Br 1892995298 NYTAVIWSEQWJGQ-UHFFFAOYSA-N 451.655 6.340 50 10 JKGE O=C1c2ccccc2C(=O)N1C[C@@H](Cl)CCc1c(Br)cccc1Br 1905342199 HMUPJIHUMGYBSH-NSHDSACASA-N 471.576 5.048 50 10 JKGE C[C@@H](Br)CN(Cc1ccccc1)S(=O)(=O)c1ccc(Cl)c(F)c1Cl 1914640873 ZLCLUFLTSRGDPK-LLVKDONJSA-N 455.176 5.107 50 10 JKGE CC(C)[C@H](CCl)N(Cc1ccccc1)C(=O)c1ccc(Br)cc1Br 1915288182 HBMZGTWQFVHASU-SFHVURJKSA-N 473.636 6.117 50 10 JKGE COc1cc(Br)c([C@H](Br)c2cc(C)c(Br)o2)cc1OC 1917611443 DXLNRDDFIVQHSQ-ZDUSSCGKSA-N 468.967 5.615 50 10 JKGE Clc1sc(Cl)c([C@H](Br)c2cccc(Br)c2Cl)c1Cl 1925586999 FSFKVBOFYZKBOR-SSDOTTSWSA-N 469.840 7.609 50 10 JKGE Fc1cc(Br)cc([C@@H](Br)c2c(Cl)sc(Cl)c2Cl)c1 1925590257 XFFFYQVAILPAOL-MRVPVSSYSA-N 453.385 7.094 50 10 JKGE Clc1sc(Br)c(Cl)c1[C@@H](Br)c1ccc2sccc2c1 1925595398 STPJIDZICBSYHO-JTQLQIEISA-N 457.039 7.516 50 10 JKGE Cc1sc([C@H](Br)c2cscc2OCc2ccccc2)cc1Br 1934839993 RUXPRKYQYVMDHL-QGZVFWFLSA-N 458.240 6.944 50 10 JKGE Clc1sc(Cl)c([C@@H](Br)c2cscc2OCc2ccccc2)c1Cl 1939528519 PGMFDMFIOQMZPS-ZDUSSCGKSA-N 468.652 7.833 50 10 JKGE CC(C)(C)OC(=O)NCCCN(Cc1ccccc1)CC1(CBr)CCCCCC1 1959563909 BOXHBGPZPUIWLO-UHFFFAOYSA-N 467.492 6.139 50 10 JKGE CC1(C)CC[C@@H](NCCSSCCNC(=O)OC(C)(C)C)[C@H](OCc2ccccc2)C1 2010827424 QSUOIQRHIGAQFL-NHCUHLMSSA-N 468.729 5.646 50 10 JKGE CCC(CC)(CC)[C@H](Br)c1c(Br)sc(Br)c1Cl 2011185823 CGFZIWHLFMJMKX-SECBINFHSA-N 467.492 7.579 50 10 JKGE Cc1c(Br)sc([C@@H](Br)CCCC(F)(F)F)c1Br 2022699202 QJCNKOZFRPDEGW-LURJTMIESA-N 458.963 6.750 50 10 JKGE CCc1nc([C@H](Br)Cc2ccncc2Br)c(Br)s1 2050331528 OETUXMREAZAQAT-MRVPVSSYSA-N 455.013 5.304 50 10 JKGE Cc1cc(Cl)c(Br)cc1[C@@H](Cl)c1csc(Br)c1Br 2082377889 VLYYPLMIILOZNJ-LLVKDONJSA-N 493.873 7.326 50 10 JKGE Cc1sc(Br)c([C@H](Cl)c2cc(Cl)ccc2I)c1C 2082873670 MIVBOBXZDCBYRG-GFCCVEGCSA-N 476.004 6.714 50 10 JKGE Clc1ccc(I)c([C@H](Br)c2ccc(CC3CC3)s2)c1 2087639669 IQVIWBXCLPEFBE-HNNXBMFYSA-N 467.597 6.443 50 10 JKGE Cc1cc(Br)c([C@H](Br)C[C@@H]2CCCOCC2)cc1Br 2089238394 YNKCVXQDFFZITO-IAQYHMDHSA-N 455.028 6.163 50 10 JKGE BrCCCC1CCN(Cc2cccc(Br)c2Br)CC1 2092327943 HEHMQVHGXYQCGI-UHFFFAOYSA-N 454.044 5.599 50 10 JKGE CC(C)(C)N1C[C@@H](Br)[C@@H](Cc2cccc(Br)c2Br)C1 2100730865 NHSQBHQWUQCUCC-WCQYABFASA-N 454.044 5.248 50 10 JKGE Clc1cccc(Cl)c1C[C@@H](Cl)c1cc(I)ccc1Br 2104782412 MJMLFJHXJZSMAA-CQSZACIVSA-N 490.393 6.883 50 10 JKGE Clc1cc(Br)cc(C[C@@H](CBr)c2cccc(Br)c2)c1 2110524126 OVDWWTGKFBLBQT-LBPRGKRZSA-N 467.426 6.586 50 10 JKGE CC[C@@H](Br)[C@@H]1CCCCN1Cc1c(Br)cccc1Br 2114189317 LZEOLLPEKUHFRO-DOMZBBRYSA-N 454.044 5.740 50 10 JKGE CN(Cc1cccc(Br)c1Br)[C@H]1CCCCC[C@H]1Br 2115913469 GIQFXGDGWBVBFH-OCCSQVGLSA-N 454.044 5.740 50 10 JKGE CC(C)(C)CN(Cc1ccccc1)S(=O)(=O)c1ccc(Cl)c(CBr)c1Cl 2123251602 IOWMMOJVLSUVOB-UHFFFAOYSA-N 479.267 6.125 50 10 JKGE Cc1c(F)ccc([C@H](Br)c2cc(Br)cc(Br)c2)c1C 2138888628 KWYUGLZXHXFJQF-OAHLLOKOSA-N 450.971 6.452 50 10 JKGE Cc1ccccc1C(CBr)(CBr)Cc1cc(Br)sn1 2139781990 ZQSMEGZILGENCM-UHFFFAOYSA-N 468.052 5.484 50 10 JKGE Brc1scc([C@H](Br)Cc2ccc3ccccc3n2)c1Br 2150341625 HPFWHNIJBOTWLX-GFCCVEGCSA-N 476.031 6.500 50 10 JKGE COc1cc(F)c([C@@H](Br)c2cc(Br)ccc2Cl)cc1Br 2202904865 XXOXCXFUHYNDNT-AWEZNQCLSA-N 487.388 6.497 50 10 JKGE CC1([C@H](Br)c2c(Br)sc(Br)c2Cl)CC2(CCC2)C1 2221001909 JBQFQXJQRMQRCT-SECBINFHSA-N 477.487 7.333 50 10 JKGE Cc1cc(Br)c([C@H](Br)CC2C[C@@H]3C[C@H]3C2)c(C)c1Br 2227350668 XXJBLUYVVACLGI-YRGRVCCFSA-N 451.040 6.701 50 10 JKGE Cc1cc(Br)c([C@H](Br)[C@@H]2C[C@@]23CC3(F)F)c(C)c1Br 2227354492 WUDMWSMQRWIVJH-ZEGGKSINSA-N 458.966 6.310 50 10 JKGE Cc1cc(Br)c([C@H](Br)[C@@H]2C[C@@H]2[C@H]2C[C@H]2C)c(C)c1Br 2227358697 AAILXBKLGSMUBV-YTPIQHTRSA-N 451.040 6.557 50 10 JKGE COc1c(Cl)cc(Br)cc1[C@H](Br)c1sc(C)cc1Br 2229300310 HGQQRRHIPSKLFN-NSHDSACASA-N 489.454 6.728 50 10 JKGE Cc1cc(Br)c(C)c([C@H](Br)[C@@H]2CC[C@@H]2C(F)(F)F)c1Br 2232581516 OMQIROZUJGKRMH-VYUIOLGVSA-N 478.972 6.853 50 10 JKGE Br[C@H](Cc1ccccc1I)c1ccc([C@H]2CCOC2)s1 2240431602 KNUONIZWIXKGQI-QWHCGFSZSA-N 463.178 5.535 50 10 JKGE Cc1sc(Br)c(C)c1[C@H](Cl)c1ccc(Cl)c(I)c1 2256335242 GLNAOYJLCZPICP-GFCCVEGCSA-N 476.004 6.714 50 10 JKGE Cc1cc(Br)c([C@@H](Br)c2cc(Br)n(C)n2)c(C)c1F 2264476580 PXMSZXUVHLULKQ-LBPRGKRZSA-N 454.963 5.185 50 10 JKGE Fc1ccc([C@@H](Br)c2ccc(Cl)c(I)c2)c(F)c1Cl 2268276477 VKSWWZIDUYJUJQ-NSHDSACASA-N 477.901 6.361 50 10 JKGE COc1c([C@H](Br)C2(Br)CCC2)cc(Br)c2c1CCC2 2269161120 BGIKZDNIODEHSJ-AWEZNQCLSA-N 453.012 5.700 50 10 JKGE Brc1cc(Br)cc(C[C@H](Br)C2CCCCCCC2)c1 2277961832 YSVDLPFSEJWMPZ-INIZCTEOSA-N 453.056 6.878 50 10 JKGE N#CC(=Cc1ccc2c(c1)OCO2)C(=O)Nc1cccc(C(=O)Nc2cccc(C(F)(F)F)c2)c1 2293035102 OSBRCPXDSIKZQB-UHFFFAOYSA-N 479.414 5.232 50 10 JKGE CCOc1ccc(NC(=O)C(C#N)=Cc2ccc(-c3ccc([N+](=O)[O-])cc3Br)o2)cc1 2294146958 KWPMJXKTXZPPLS-UHFFFAOYSA-N 482.290 5.562 50 10 JKGE N#CC(=Cc1c[nH]c2ccccc12)C(=O)Nc1ncc(Cc2ccc(Cl)cc2Cl)s1 2295869837 GXPGVSDXXPCWTQ-UHFFFAOYSA-N 453.354 6.068 50 10 JKGE Cc1c(C)c(C)c(CSc2nnc(C(C#N)=Cc3c(Cl)cccc3Cl)n2C)c(C)c1C 2297563562 SQGYARIZCMKPBD-UHFFFAOYSA-N 471.457 7.020 50 10 JKGE C[C@H](Sc1ccccc1)C(=O)NN=Cc1ccc(OCc2ccc(Cl)cc2Cl)cc1 2297708861 XZVZFIJMIHBDLF-INIZCTEOSA-N 459.398 6.203 50 10 JKGE FC(F)(F)C1([C@H](Br)c2ccc(OCc3ccccc3)cc2Br)CC1 2299504976 RUQUNNWRBWDEBJ-MRXNPFEDSA-N 464.119 6.807 50 10 JKGE C[C@H](C1CCCC1)[C@H](Br)c1cc(Br)ccc1OCc1ccccc1 2299531679 YENISXAGQLLFQC-VFNWGFHPSA-N 452.230 7.290 50 10 JKGE Cc1oc(Br)cc1[C@@H](Cl)c1cc(Br)ccc1OCc1ccccc1 2299535388 OFRCQXAOCVDBMH-LJQANCHMSA-N 470.588 7.020 50 10 JKGE CC1(C)COC[C@@H]1[C@@H](Cl)c1c(Br)sc(Br)c1Br 2299622380 SMQUXLBJYHZCPH-SVGQVSJJSA-N 467.448 5.988 50 10 JKGE CCOc1cc(C=C(C#N)C(=O)NCCc2c[nH]c3ccccc23)cc(Cl)c1OCc1ccccc1 2313556033 JXEXCIZJRAYKJO-UHFFFAOYSA-N 499.998 6.065 50 10 JKGE COc1cc(C=C(C#N)C(=O)Nc2cccc3ccccc23)ccc1OCc1ccc(Cl)cc1 2313738506 FXVJLALHDHKKIA-UHFFFAOYSA-N 468.940 6.626 50 10 JKGE Cc1cc(F)ccc1[C@@H](Br)c1cc(Br)ccc1OCc1ccccc1 2314449719 SCYJMBPNZHPDAC-OAQYLSRUSA-N 464.172 6.960 50 10 JKGE CCOC(=O)c1c(NC(=O)C(C#N)=Cc2ccc(-c3ccc([N+](=O)[O-])cc3)o2)sc(C)c1C 2314486782 DVMXFULBWVDTPC-UHFFFAOYSA-N 465.487 5.256 50 10 JKGE N#CC(=Cc1ccc(-c2ccc(C(=O)O)cc2)o1)c1nc(-c2ccc(Br)cc2)cs1 2314490187 YLCWOSLSBMRGPB-UHFFFAOYSA-N 477.339 6.595 50 10 JKGE N#CC(=Cc1ccc2noc(-c3ccc(Cl)cc3)c2c1)C(=O)Nc1cc(Cl)cc(Cl)c1 2314572358 ZDZITXLHEHNCGC-UHFFFAOYSA-N 468.727 7.001 50 10 JKGE COc1ccc(N2C(=O)[C@@H](Cc3ccc(F)cc3)SC2=C(C#N)C(=O)Nc2cccc(C)c2)cc1 2314592277 PORKMMHJAFTLPH-XMMPIXPASA-N 487.556 5.208 50 10 JKGE C=CCNC(=O)C(C#N)=C1S[C@@H](Cc2cccc(Cl)c2Cl)C(=O)N1c1ccc(C)c(C)c1 2314593900 VUPQKJXORQOMEI-FQEVSTJZSA-N 486.424 5.339 50 10 JKGE COCc1ccc([C@@H](Cl)c2cc(I)ccc2Br)s1 2315096943 FVLRIWXHTFURIZ-ZDUSSCGKSA-N 457.558 5.590 50 10 JKGE FC1(F)[C@@H]2CC[C@H]([C@H](Br)c3sc(Cl)cc3I)C[C@H]21 2316600765 KLNYRBFRDJRWNV-DHCFDGJBSA-N 467.544 6.124 50 10 JKGE N#CC(=C(O)Cc1ccc(Cl)c(Cl)c1)c1nc(-c2ccc(Cl)cc2Cl)cs1 2331250678 SQMPLWPCAVJNLP-UHFFFAOYSA-N 456.181 7.459 50 10 JKGE Cc1cc(C)c(C)c(-c2csc(C(C#N)=C(O)Cc3ccc(OCc4ccccc4)cc3)n2)c1C 2331364804 ZFWIAWPNQNZVQT-UHFFFAOYSA-N 480.633 7.658 50 10 JKGE Cc1ccc(C(C)(C)C)cc1-c1csc(C(C#N)=C(O)[C@@H](C)Oc2ccc(Cl)cc2Cl)n1 2331397100 IGLGUCIUBAEGIM-OAHLLOKOSA-N 487.452 7.983 50 10 JKGE CCOc1ccc(C=C(C#N)c2nc(-c3ccc(Br)cc3)cs2)cc1OCC 2331429953 ZGMWRSFQJFTATD-UHFFFAOYSA-N 455.377 6.434 50 10 JKGE CCOc1cc(C=C(C#N)c2nc(-c3ccc(C)cc3C)cs2)ccc1OCC(=O)N(CC)CC 2331443694 JEXFWSCMQSJMFT-UHFFFAOYSA-N 489.641 6.137 50 10 JKGE COc1cc(C=C(C#N)c2nc(-c3ccc(C(C)C)cc3)cs2)ccc1OCCN1CCOCC1 2331456548 BIOCYEYPNPAUML-UHFFFAOYSA-N 489.641 5.717 50 10 JKGE CCOc1ccc(OCC)c(-c2csc(C(C#N)=Cc3ccc(OCc4ccccc4C)cc3)n2)c1 2331470728 GJCHWWBVAWQXSR-UHFFFAOYSA-N 496.632 7.559 50 10 JKGE Cc1oc(Br)cc1[C@H](Br)c1c(F)cc(Cl)c(Br)c1Cl 2335302412 PRNSSPYNFIFWGW-JTQLQIEISA-N 495.795 7.043 50 10 JKGE COC[C@]12C[C@]([C@H](Br)c3cc(Br)ccc3OCc3ccccc3)(CO1)C2 2336076551 ZTMIQIJPIKHZGX-NJDAHSKKSA-N 482.212 5.660 50 10 JKGE Brc1cc(OCc2ccccc2)ccc1[C@@H](Br)c1ccc2nsnc2c1 2336077228 GNJBUPCWAGHXDW-FQEVSTJZSA-N 490.220 6.517 50 10 JKGE Fc1c(Br)cc(Cl)c([C@H](Br)[C@@H]2C[C@@H]2C(F)(F)F)c1Br 2337084090 HHDVBNGEDLMMTN-PDJPSNROSA-N 489.326 6.639 50 10 JKGE Fc1cc(Br)c(Br)cc1[C@H](Br)[C@@H]1[C@@H]2[C@H]1CCCC2(F)F 2358560005 DSBYHKHKSBJXNV-XOGBDLSESA-N 476.956 6.468 50 10 JKGE Brc1cc(Br)cc(CO[C@@H]2C[C@@H](Br)C23CCCCC3)c1 2362239325 LIWFHUDWYSGHBF-HUUCEWRRSA-N 467.039 6.215 50 10 JKGE Cc1c(Br)ccc([C@@H](Br)[C@H]2COC3(CCC3)CO2)c1Br 2364134975 NYIJTFGLBOSXPT-TZMCWYRMSA-N 469.011 5.294 50 10 JKGE Cc1cc(Cl)c(Br)cc1[C@H](Br)c1ccc(Cl)c(Cl)c1C 2364440933 OIXZCAAMEUZWLV-CQSZACIVSA-N 457.420 7.510 50 10 JKGE Cc1cc(Br)c(F)c(Br)c1[C@H](Br)[C@@H]1[C@H](C)O[C@H](C)[C@@H]1C 2365180707 STKHPQPAJCJPHF-XXAVHQQOSA-N 473.018 6.155 50 10 JKGE CC[C@@H](CC(C)C)[C@@H](Br)c1c(C)cc(Br)c(OC)c1Br 2365189836 YXMGPMSPDPIBTL-SMDDNHRTSA-N 471.071 7.037 50 10 JKGE COc1sccc1[C@@H](Br)c1c(C)cc(Br)c(OC)c1Br 2365191161 LSKCLVYRPBYXMW-LLVKDONJSA-N 485.035 6.083 50 10 JKGE Cc1cccc([C@H](Br)CCc2cc(Cl)cc(Cl)c2)c1I 2366889942 XWNVMLOWIMNKES-OAHLLOKOSA-N 484.002 6.975 50 10 JKGE Cc1cc(Br)c(C(C)C)cc1[C@@H](Cl)c1cc(Br)c(Cl)s1 2380934304 IGRBSFCKJOHWEN-CQSZACIVSA-N 457.058 7.687 50 10 JKGE N#C/C(=C/Nc1ccc(Cl)c(C(F)(F)F)c1)c1nc(-c2ccc([N+](=O)[O-])cc2)cs1 11853139 ADIGQHRMXMPAHF-XFXZXTDPSA-N 450.829 6.367 50 10 JKGE CC[C@H](C)c1ccc(OCC(=O)NNC(=O)c2ccc(OCCC(C)C)cc2)c(Br)c1 14832339 KYIMGHNDKUYGPX-KRWDZBQOSA-N 491.426 5.228 50 10 JKGE COc1cc(/C=C(/C#N)C(=O)NC(C)C)ccc1OC(=O)/C=C\c1ccc(OCc2ccccc2)cc1 33285795 BQZRBQQHRKULBW-CAROEJJBSA-N 496.563 5.325 50 10 JKGE Cc1ccc(-c2ccc(/C=C(/C#N)c3nc(-c4cc5ccccc5oc4=O)cs3)o2)c([N+](=O)[O-])c1 33471720 WSVMDTOMHTZOGH-BOPFTXTBSA-N 481.489 6.457 50 10 JKGE CCOc1ccc(NC(=O)/C(C#N)=C\c2cn(-c3ccccc3)nc2-c2ccc(SCC)cc2)cc1 35445854 HJYCHUCFBFDEHQ-PYCFMQQDSA-N 494.620 6.596 50 10 JKGE CCCCOc1ccc(-c2nn(-c3ccccc3)cc2/C=C2/C(=O)N(CC)C(=O)C(C#N)=C2C)cc1 38603123 JPZIBFZRNZXTEF-KOEQRZSOSA-N 480.568 5.330 50 10 JKGE COc1ccc(CC(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@H]3c2ccc(Cl)cc2Cl)cc1 38655628 IUQBGFQLVXCNDE-DEOSSOPVSA-N 481.335 5.368 50 10 JKGE C[C@@H](Oc1ccc(F)cc1)C(=O)Oc1ccc2c(c1)OC(N)=C(C#N)[C@@H]2c1c(F)cccc1Cl 38680442 HNRIAYALCAKOCV-MCMMXHMISA-N 482.870 5.209 50 10 JKGE N#CC1=C(N)Oc2cc(OC(=O)c3sc4cccc(Cl)c4c3Cl)ccc2[C@H]1c1ccco1 38688477 URQDTXPNUDBBHA-GOSISDBHSA-N 483.332 6.238 50 10 JKGE Cc1cccn2c(=O)c(/C=C(/C#N)C(=O)Nc3cccc(C(F)(F)F)c3)c(Oc3ccccc3)nc12 39858498 BIAWIBIXZJDKFU-LGMDPLHJSA-N 490.441 5.360 50 10 JKGE Cc1ccc(Oc2nc3c(C)cccn3c(=O)c2/C=C(/C#N)C(=O)Nc2ccc(F)cc2)c(C)c1 39858872 NHOBHBBGTUNXCX-RGEXLXHISA-N 468.488 5.097 50 10 JKGE Nc1c(NNC(=O)C(c2ccccc2)c2ccccc2)ncnc1Nc1cc(Cl)cc(Cl)c1 40701091 RKCZCVXFIWNIOM-UHFFFAOYSA-N 479.371 5.384 50 10 JKGE CCCCOc1ccc(-c2csc(NC(=O)/C(C#N)=C/c3ccc(OCC)c(OC)c3)n2)cc1 40927275 OGBXGPRXWUQFAA-XSFVSMFZSA-N 477.586 5.942 50 10 JKGE CCOc1ccc(/C=C(\C#N)C(=O)N(c2cccc(C)c2C)S(=O)(=O)c2ccccc2)cc1OC 40977738 YXVMLWJIQFPVKC-CJLVFECKSA-N 490.581 5.040 50 10 JKGE COc1cccc(N/C(SCc2cc(F)ccc2F)=C(\C#N)C(=O)NCc2ccccc2)c1 105423098 OADRBEKSYWKDHB-LVWGJNHUSA-N 465.525 5.370 50 10 JKGE O=c1[nH]c2cc(Br)c([C@H](Cl)c3cc(Br)ccc3Cl)cc2[nH]1 109883706 XOZYOXCJIZRKAX-ZDUSSCGKSA-N 450.945 5.363 50 10 JKGE Fc1cccc(CC(CBr)(CBr)c2cccc(Br)c2)c1F 118878719 WWHNSKACSMLVHX-UHFFFAOYSA-N 482.988 5.998 50 10 JKGE Fc1cc(Br)cc(C[C@@H](CBr)Cc2ccc(Br)cc2)c1 125103685 URRIQCCVTUTXIY-ZDUSSCGKSA-N 464.998 6.147 50 10 JKGE CCCOc1cccc([C@H](Br)c2cc(Br)c(Br)s2)c1 128263200 ZOUXXLKSBNHPOH-ZDUSSCGKSA-N 469.036 6.546 50 10 JKGE FC(F)(F)Oc1ccc([C@H](Br)c2cc(Br)sc2Br)cc1 131402689 AVHDPYRMYXLZBJ-JTQLQIEISA-N 494.952 6.656 50 10 JKGE CCOc1c(Cl)cc(/C=N/NC(=O)c2ccc3[nH]c(-c4ccccc4)nc3c2)cc1Cl 169926928 RRFVECSYROAWBK-LGJNPRDNSA-N 453.329 5.699 50 10 JKGE COc1ccc([C@H](C)NC(=O)/C(C#N)=C\Nc2cc(C(F)(F)F)cc(C(F)(F)F)c2)cc1 217180812 KZWAATQCUPBFLT-PBBNAPBQSA-N 457.374 5.430 50 10 JKGE Clc1cc(Br)cc([C@H](Cl)c2cc(Br)sc2Br)c1 236031439 UFSAGIKSEGKTNN-JTQLQIEISA-N 479.846 7.017 50 10 JKGE Clc1ccc([C@H](Br)c2ccc(Br)cc2Br)cc1Cl 236066445 DCMKSAAXJZLOIK-ZDUSSCGKSA-N 473.817 7.003 50 10 JKGE COc1cccc(N(C(=O)CCl)[C@H](C(=O)N[C@H]2CCCC[C@H]2C)c2ccccc2Cl)c1 252585871 LUNDUKOWYPIUTK-HNKPZJSLSA-N 463.405 5.357 50 10 JKGE COCc1cc(C=NNC(=O)c2cc(-c3ccc(Cl)c(Cl)c3)nc3ccccc23)ccc1OC 252627532 RWKPQITUONMFJZ-UHFFFAOYSA-N 494.378 6.128 50 10 JKGE O=C(NN=c1oc2ccc3ccccc3c2cc1-c1nc2ccccc2s1)c1ccccc1[N+](=O)[O-] 254382030 VIINLHBQCCEBEI-UHFFFAOYSA-N 492.516 6.017 50 10 JKGE CC1(C)C(c2ccccc2)=NN(c2ccc(C=NNC(=O)c3ccccc3O)cc2)[C@@H]1c1ccccc1 254568881 MFDLIOXRPCNOGU-GDLZYMKVSA-N 488.591 6.148 50 10 JKGE CC(C)(C)c1ccc(-c2nnc(SCC(=O)NN=C/C=C\c3ccccc3)n2-c2ccccc2)cc1 254852862 ALCDWJNFNAJBEH-SCWLWBJZSA-N 495.652 6.139 50 10 JKGE O=C(OCc1ccccc1)N1C[C@@H](CI)[C@H](c2ccccc2Cl)C1 382702337 DADSNTMAOQNJCR-NVXWUHKLSA-N 455.723 5.127 50 10 JKGE O=C(OCc1ccccc1)N1C[C@@H](CCl)[C@@H](c2cc(Br)cc(Br)c2)C1 382730587 UHMYWEIJTZJJJB-CRAIPNDOSA-N 487.619 5.803 50 10 JKGE O=C(OCc1ccccc1)N1C[C@@H](CI)[C@@H](c2cc(Cl)ccc2Cl)C1 382739166 YORHEJOYPCNAFA-PBHICJAKSA-N 490.168 5.781 50 10 JKGE C[C@H](CCOCc1ccccc1)n1c(CCCl)nc2cc(I)ccc21 389666685 GBXLRHAHRDTMHW-OAHLLOKOSA-N 468.766 5.590 50 10 JKGE O=C(OCc1ccccc1)N1C[C@H](c2ccc(Cl)cc2Cl)[C@@H](CI)C1 394512518 FMYBWFRJRHKVIK-YOEHRIQHSA-N 490.168 5.781 50 10 JKGE CC[C@@H](CC(F)(F)F)[C@H](Br)c1cc(Br)ccc1Br 402486450 NNKOZUSAXGIMCZ-CPCISQLKSA-N 452.934 6.626 50 10 JKGE C[C@@H]1[C@@H](C)N(Cc2ccccc2)[C@H](C)CN1c1ccc(Br)cc1CBr 404260315 DAKOCTIBKWADTP-BRWVUGGUSA-N 466.261 5.832 50 10 JKGE CC1(C)C[C@@H](Br)CCN(Cc2cc(Cl)ccc2I)C1 405287907 FQMHGCGTCHEHKL-LBPRGKRZSA-N 456.593 5.330 50 10 JKGE CC(C)(C)[Si](C)(C)OCCc1cccc([C@H]2CCCCCN2S(=O)(=O)c2ccccc2)c1 616625569 RDFQXMZAJBYIRD-RUZDIDTESA-N 473.755 6.557 50 10 JKGE CCOc1ccc([C@@H](Br)Cc2ccccc2Br)cc1Br 709560174 JNINEVKLOKMROX-AWEZNQCLSA-N 463.007 6.289 50 10 JKGE COCc1cc(Br)c([C@@H](Br)c2cscc2C(F)(F)F)s1 717212679 QGTUHCWRTUHFTN-JTQLQIEISA-N 450.139 6.222 50 10 JKGE CCOc1ccc([C@@H](Br)c2ccc(I)c(Br)c2)cc1 721607673 ZZRPEKXMEZOZDQ-OAHLLOKOSA-N 495.980 5.937 50 10 JKGE Fc1cc(C[C@H](CBr)c2ccccc2Br)ccc1Br 721996861 BBKLZAWFUGBQPJ-LLVKDONJSA-N 450.971 6.072 50 10 JKGE COc1cc(C=NNC(=O)c2cccc(Cl)c2)cc(Br)c1OCc1ccc(F)cc1 725404965 BBBHIWLWPQOLKU-UHFFFAOYSA-N 491.744 5.593 50 10 JKGE O=C(CSCc1ccccc1)NN=Cc1ccc(OCc2ccc(Br)cc2)cc1 1081086666 KDHOFUJIZXYMGX-UHFFFAOYSA-N 469.404 5.412 50 10 JKGE COc1cc(C=NNC(=O)c2cccc([N+](=O)[O-])c2C)ccc1OCc1cccc2ccccc12 1084148320 CPYFLHXXKPFCAK-UHFFFAOYSA-N 469.497 5.408 50 10 JKGE CCOc1cc(C=NNC(=O)c2ccc(Br)cc2)ccc1OCc1ccccc1 1084571675 PXDXEEDTGLQVTQ-UHFFFAOYSA-N 453.336 5.191 50 10 JKGE Cc1ccc(-n2nc(C)c(C=NNC(=O)COc3ccc(C4CCCCC4)cc3)c2C)cc1C 1084578533 DHXVXYNNNOXBIY-UHFFFAOYSA-N 458.606 5.683 50 10 JKGE CCOc1cc(C=NNC(=O)[C@@H](C)Oc2ccc(-c3ccccc3)cc2)cc(Br)c1O 1772755748 QNJZZXIUJCOTCE-MRXNPFEDSA-N 483.362 5.138 50 10 JKGE Cc1ccc(CCCC(=O)NCc2ccc(OC(=O)Nc3ccc(SC#N)cc3)cc2)cc1 1858906985 DWJOFPGGLBDYCY-UHFFFAOYSA-N 459.571 5.818 50 10 JKGE CCCCOc1ccc([C@@H]2C(C#N)=C(N)Oc3c2c(CCC)nn3-c2ccc(Cl)c(Cl)c2)cc1 1865692116 JEKZTSBFPGEZEF-HSZRJFAPSA-N 497.426 6.529 50 10 JKGE CCc1nn(CC)c2c1[C@@H](c1c(OCc3ccccc3)ccc3ccccc13)C(C#N)=C(N)O2 1865703936 JAGGEWLODZPJQK-RUZDIDTESA-N 450.542 5.416 50 10 JKGE COc1ccc(-c2nn(-c3cccc4ccccc34)c3c2[C@H](c2ccc(F)cc2)C(C#N)=C(N)O3)cc1 1865708036 MKADRENSDIKNKA-AREMUKBSSA-N 488.522 6.058 50 10 JKGE N#C/C(=C\c1ccc(Br)cc1)C(=O)NCC1(c2ccc(Cl)cc2Cl)CC1 1866128588 AHCSPLRMQXJQKN-NTEUORMPSA-N 450.163 5.511 50 10 JKGE CC[C@@H](C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)Nc1ccc(SC#N)cc1)c1ccc(Cl)cc1 1866951069 QVOCUHRRQNPAIP-RPWUZVMVSA-N 494.016 5.479 50 10 JKGE CCCc1nc(Nc2ccc(SC#N)cc2)cc(N2CCc3[nH]c4c(OC)cccc4c3C2)n1 1868387900 BTGAWLDOSCVQJR-UHFFFAOYSA-N 470.602 5.798 50 10 JKGE COC(=O)c1ccc2c(O)nc(/C(C#N)=C/c3cccc(OCc4ccccc4Cl)c3)nc2c1 1872727554 JTUACUZGMLGFMO-YBFXNURJSA-N 471.900 5.419 50 10 JKGE COC(=O)c1ccccc1N1C[C@H](/C(O)=C(\C#N)c2nc(-c3ccccc3Cl)cs2)CC1=O 1872746657 RLVGLUWRFWEPPS-CHOFAJOMSA-N 479.945 5.096 50 10 JKGE N#C/C(=C(/O)CCCN1C(=O)c2ccc([N+](=O)[O-])cc2C1=O)c1nc(-c2c[nH]c3ccccc23)cs1 1872751379 FMVJBIZJNBZWLT-PYCFMQQDSA-N 499.508 5.069 50 10 JKGE COc1cc(/C(O)=C(\C#N)c2nc(-c3cc(C(C)(C)C)ccc3C)cs2)c([N+](=O)[O-])cc1OC 1872756422 ZRVKOJCHZFPSOA-NKFKGCMQSA-N 479.558 6.291 50 10 JKGE COc1cc(Cl)c(C)cc1-c1csc(/C(C#N)=C(\O)COc2ccc(Cl)cc2Cl)n1 1872757093 QDNSWKDDRIQOAF-JXAWBTAJSA-N 481.788 6.959 50 10 JKGE COc1cc(/C=C(\C#N)c2nc(-c3ccc(OC)c(C)c3C)cs2)ccc1OCc1ccccc1 1872793413 YTUCVQGITKXNOH-OEAKJJBVSA-N 482.605 7.087 50 10 JKGE Brc1cccc([C@H](CI)OCCCOCc2ccccc2)c1 1910509485 KEYAOCHHZSIWOX-SFHVURJKSA-N 475.164 5.549 50 10 JKGE Clc1c(Br)sc(Br)c1[C@H](Br)[C@@H]1CC[C@H]2C[C@H]1CO2 1923068309 PMLSUYQBQGNNEY-XZMZPDFPSA-N 479.459 6.178 50 10 JKGE CCCC1CC([C@@H](Cl)c2c(Br)sc(Br)c2Br)C1 1924568216 CZYYOGFEICFILN-HNQUHTCLSA-N 465.476 7.142 50 10 JKGE Cl[C@H](c1c(Br)sc(Br)c1Br)[C@]12CCC[C@@H]1OCC2 1924611929 HINFODUIDPUEPI-RMUHFYJVSA-N 479.459 6.275 50 10 JKGE Clc1sc(Br)c(Cl)c1[C@@H](Br)c1cc2c(s1)CCCC2 1925588169 DLMGHDQXUMWEJT-JTQLQIEISA-N 461.071 7.242 50 10 JKGE Fc1ccc(C[C@@H](Br)c2c(Cl)sc(Br)c2Cl)c(F)c1 1925589908 MGEAEIMSZMBWCQ-SSDOTTSWSA-N 450.957 6.774 50 10 JKGE CC(C)[C@@H](C)N(Cc1ccccc1)S(=O)(=O)c1cc(CCl)sc1Br 1946859388 RHGBNNAJLWIVAH-CYBMUJFWSA-N 450.851 5.485 50 10 JKGE Fc1cc(Cl)c(Br)cc1[C@H](Br)c1sncc1Br 1948502522 UYTMBTGMZZGUON-VIFPVBQESA-N 464.379 5.945 50 10 JKGE Clc1c(Br)sc(Br)c1[C@H](Br)CC1C[C@@H]2C[C@H]2C1 1950074171 ALSURCWKDSTUEA-BWZBUEFSSA-N 463.460 6.799 50 10 JKGE Cl[C@H](c1c(Br)sc(Br)c1Br)[C@H]1C[C@@]12CCOC2 1950631854 QDAHDWAUDFLWMS-ROXVQFJHSA-N 465.432 5.742 50 10 JKGE Clc1c(Br)ccc(CBr)c1N1C[C@@H]2CN(Cc3ccccc3)C[C@H]2C1 2036844539 IIUBFRJONWPVFS-IRXDYDNUSA-N 484.663 5.566 50 10 JKGE CC1(C)OCCC[C@H]1[C@@H](Br)c1c(Br)sc(Br)c1Cl 2066883585 LQOYMQZKOVWHNH-POYBYMJQSA-N 481.475 6.568 50 10 JKGE Cc1cc(C)c(C)c([C@@H](Br)c2sc(Br)cc2Br)c1 2082916491 NDLLOFNVDVRVTN-CYBMUJFWSA-N 453.037 6.683 50 10 JKGE Fc1cc(Cl)c([C@@H](Br)c2scc(Br)c2Br)cc1Cl 2083779788 FWHPWHIIRJLNHY-SECBINFHSA-N 497.836 7.203 50 10 JKGE Clc1ccc(CBr)c(OCc2c(Br)cccc2Br)c1 2094091663 WNEVWBXNSXZYHT-UHFFFAOYSA-N 469.398 6.339 50 10 JKGE C[C@@H]1C[C@H](n2c(CCl)nc3cc(Br)c(Cl)cc32)CN1Cc1ccccc1 2103623721 LQAXSHPUNHHHEY-HIFRSBDPSA-N 453.211 6.027 50 10 JKGE BrCc1ccc(N2CCC[C@@]3(CCN(Cc4ccccc4)C3)C2)cc1Br 2107015484 RNYQYNHVRYSZLU-QFIPXVFZSA-N 478.272 5.837 50 10 JKGE Cc1c(Br)sc([C@H](Br)Cc2cccc(Cl)c2F)c1Br 2113471995 VXEDGYMGGPPDOI-MRVPVSSYSA-N 491.445 7.053 50 10 JKGE BrC[C@H](Cc1cc(Br)ccc1Br)C1CCCCCC1 2118524532 KIAIPMMMHZXKMU-AWEZNQCLSA-N 453.056 6.736 50 10 JKGE Clc1cc(Br)cnc1COc1cc(Br)ccc1CBr 2127186864 DRWCUZQVKDGDEW-UHFFFAOYSA-N 470.386 5.734 50 10 JKGE O=C(c1cc(Br)sc1Br)N1CC[C@H](CBr)C12CCC2 2133824738 IEYSQOFZVYHMMB-MRVPVSSYSA-N 472.040 5.053 50 10 JKGE FC(F)(F)C1(COc2c(Br)cc(CBr)cc2Br)CC1 2134778208 MHECYUXUSYBATJ-UHFFFAOYSA-N 466.917 5.828 50 10 JKGE C[C@H](CC(CBr)(CBr)c1cccc(Br)c1)P(C)(C)=O 2139866820 KDWOVWLTZOPLAQ-LLVKDONJSA-N 474.999 5.878 50 10 JKGE C[C@H]1CN(Cc2ccc(I)c(Cl)c2)CC[C@@H]1CCBr 2142942071 AIBBWWQLUCJWQO-AAEUAGOBSA-N 456.593 5.188 50 10 JKGE ClC[C@H](Cc1ccc(Br)cc1)Cc1ccc(Br)cc1Br 2148683869 ZYUIGBLIKGISKR-GFCCVEGCSA-N 481.453 6.614 50 10 JKGE C[C@H]1CCCN(C(=O)c2cccc(Br)c2Br)[C@@H]1CCBr 2148751192 OMIKCYFPTOLRGC-GXFFZTMASA-N 468.027 5.237 50 10 JKGE C[C@@H](Br)C[C@H]1CCCCN1C(=O)c1cccc(Br)c1Br 2148771805 VLIRVICPSCGBSC-GHMZBOCLSA-N 468.027 5.380 50 10 JKGE Cc1cc(Br)c([C@H](Br)c2cccc(C3CC3)c2)cc1Br 2153894434 LJKSBILLSBKNNM-QGZVFWFLSA-N 459.019 6.882 50 10 JKGE Clc1ccc(Br)cc1C[C@@H](CBr)Cc1ccccc1Br 2166830589 HNXBXLPBPGHCMQ-NSHDSACASA-N 481.453 6.661 50 10 JKGE Fc1cc(Br)cc(N2CC[C@@]3(CCCN(Cc4ccccc4)C3)C2)c1CCl 2170695961 WWRSPOHFQPYQCS-JOCHJYFZSA-N 451.811 5.820 50 10 JKGE O=C(c1scc(Br)c1Br)N1C[C@]2(F)CCC[C@@]2(CBr)C1 2176640715 OWTLHZKCSSAWHU-CHWSQXEVSA-N 490.030 5.002 50 10 JKGE Cc1sc(Br)c(C)c1[C@@H](Cl)c1cc(Br)ccc1Br 2218805675 MNTDACHSNRTHJV-LBPRGKRZSA-N 473.455 6.981 50 10 JKGE Cc1ccc(I)c([C@@H](Cl)c2c(Cl)sc(Br)c2Cl)c1 2224056607 ZLFVMCFIVPMUQP-SECBINFHSA-N 496.422 7.059 50 10 JKGE C[C@@H](C1CCCCC1)[C@@H](Br)c1cc(Br)c(Br)cc1F 2225620137 QZMRSPYNKUYFSV-BJOHPYRUSA-N 457.019 7.003 50 10 JKGE CCn1cc(Br)c([C@H](Br)Cc2ccc(Br)cc2Cl)n1 2229144581 MAIVPOFOMAHAQI-SNVBAGLBSA-N 471.418 5.760 50 10 JKGE Cc1ccc([C@H](Br)c2c(Br)cc(Cl)c(Cl)c2Cl)c(F)c1 2232514914 XQQKYJZAFGZJGI-LBPRGKRZSA-N 461.383 7.341 50 10 JKGE Fc1cc(Br)cc2c1nc(CCCl)n2C1CCN(Cc2ccccc2)CC1 2232919000 JSYPVRPAGISTEZ-UHFFFAOYSA-N 450.783 5.556 50 10 JKGE Fc1cc(Br)c(Br)cc1[C@H](Br)[C@@H]1COc2ccccc21 2233978289 ZWNSJQRMOVLJQK-BMIGLBTASA-N 464.954 5.963 50 10 JKGE COc1cc(Br)c([C@@H](Cl)Cc2ccccc2I)cc1C 2236019338 BYYLYUBCCNMZDF-AWEZNQCLSA-N 465.556 5.893 50 10 JKGE CS(=O)(=O)c1cscc1[C@@H](Cl)c1sc(Br)cc1Br 2260091455 JYVPQBJWJXRTRY-SECBINFHSA-N 450.626 5.066 50 10 JKGE Fc1cc(Br)c(Br)cc1[C@@H](Br)[C@@H]1CCC(F)(F)C1 2263340205 LBJWBVOYUSPRSP-KBUNVGBDSA-N 450.918 6.222 50 10 JKGE Cc1nc([C@H](Br)c2c(Br)cc(C)c(F)c2C)c(Br)s1 2264469281 RTSZTCQPDLFJHE-SNVBAGLBSA-N 472.015 6.217 50 10 JKGE CO[C@H]1C[C@@H](C[C@@H](Br)c2c(F)cc(Br)c(F)c2Br)C1 2272733556 MIVOXLMVFFMMTK-GJMOJQLCSA-N 462.954 5.741 50 10 JKGE Brc1cc(Br)cc(C[C@H](Br)C2CC[C@H]3C[C@@H]3CC2)c1 2277950159 TYQIMOKJLMZART-XEZPLFJOSA-N 451.040 6.344 50 10 JKGE COCC1([C@H](Cl)c2c(Br)sc(Br)c2Cl)CC(F)(F)C1 2278182085 BSXZYOYDMLBFKQ-SSDOTTSWSA-N 458.977 6.268 50 10 JKGE Cc1cc(F)c(Br)cc1[C@H](Br)c1cc(Br)c(Cl)cc1F 2285939701 QHFLFXVZTPGZPJ-AWEZNQCLSA-N 489.379 6.936 50 10 JKGE CN(C[C@H](Br)COCc1ccccc1)c1cccc(C(F)(F)C(F)(F)F)n1 2286733977 DDYIKPRMVIWXFY-AWEZNQCLSA-N 453.249 5.152 50 10 JKGE CCn1cc(Br)c([C@@H](Cl)c2c(F)cc(Br)c(F)c2Br)n1 2288355296 FCZOYFDDSWLXPY-JTQLQIEISA-N 493.371 5.797 50 10 JKGE COc1cc(Cl)c([C@H](Cl)c2cc(Br)c(Br)s2)c(OC)c1 2294912586 ULIJTNPWICUANE-GFCCVEGCSA-N 461.002 6.272 50 10 JKGE N#CC(=Cc1ccc(-c2ccc(F)cc2)o1)C(=O)Nc1ncc(Cc2ccccc2Cl)s1 2296819045 ODKBEXHOINTLJS-UHFFFAOYSA-N 463.921 6.332 50 10 JKGE CCOC(=O)c1c(-c2ccccc2)csc1NC(=O)C(C#N)=Cc1cc(Br)ccc1O 2296833217 MORJNLVJTNUDPM-UHFFFAOYSA-N 497.370 5.606 50 10 JKGE Cc1cccc(OCCCOc2ccc(C=C(C#N)C(=O)Nc3nc4ccccc4s3)cc2)c1 2297500326 AUIPOTPXKFLICU-UHFFFAOYSA-N 469.566 5.998 50 10 JKGE Fc1ccccc1[C@H](Br)c1ccc(OCc2ccccc2)cc1Br 2299488749 JKBNVHSFBTVOBQ-HXUWFJFHSA-N 450.145 6.652 50 10 JKGE Brc1cc(OCc2ccccc2)ccc1[C@H](Br)[C@@H]1CC2(CC2)CO1 2299490079 VQPVZMOOGNXJIE-OALUTQOASA-N 452.186 6.033 50 10 JKGE C[C@@H]1OCCO[C@@H]1[C@H](Br)c1cc(Br)ccc1OCc1ccccc1 2299501510 OSEALLPIEDJYNH-BKTGTZMESA-N 456.174 5.268 50 10 JKGE CC(C)(C)[C@@H]1C[C@H]1[C@@H](Br)c1cc(Br)ccc1OCc1ccccc1 2299502005 SQXYQDQTGWIVCE-YVWKXTFCSA-N 452.230 7.146 50 10 JKGE Cc1nc(Br)c([C@H](Br)c2sc(Cl)cc2Br)n1C 2300294212 ONNWJGONWUIXQK-ZETCQYMHSA-N 463.420 5.453 50 10 JKGE FC(F)(F)COCC[C@H](Br)c1sc(Cl)cc1I 2301083968 NLZGEHFDVJISTQ-YFKPBYRVSA-N 463.484 5.411 50 10 JKGE Cc1ccccc1NC(=O)C(C#N)=Cc1cc(Br)ccc1OCc1ccc(F)cc1 2313540934 FAIYXGVPYBZXNF-UHFFFAOYSA-N 465.322 6.021 50 10 JKGE COc1cc(C=C(C#N)C(=O)Nc2cc(C)ccc2C)ccc1OCc1cccc(C(=O)O)c1 2313553106 GKGSXQQLYDSLPN-UHFFFAOYSA-N 456.498 5.135 50 10 JKGE N#CC(=Cc1ccc(OCc2ccc(Cl)c(Cl)c2)cc1)C(=O)Nc1ccc(Cl)c(Cl)c1 2313631056 JOJKMWGJYNHVLO-UHFFFAOYSA-N 492.189 7.425 50 10 JKGE N#CC(=Cc1cn(-c2ccccc2)nc1-c1ccc(Cl)cc1)c1nc(-c2ccc(F)cc2)cs1 2314489657 UNFQNRUGVKFWKB-UHFFFAOYSA-N 482.971 7.519 50 10 JKGE C=CCNC(=O)C(C#N)=C1S[C@@H](Cc2ccc(Cl)cc2Cl)C(=O)N1c1ccc(C)c(C)c1 2314593880 VKJNUVKHZXJNDY-NRFANRHFSA-N 486.424 5.339 50 10 JKGE COc1ccc(C)cc1[C@@H](Br)c1sc(Cl)cc1I 2316599435 QSDYPYDYHDZLHH-GFCCVEGCSA-N 457.558 5.807 50 10 JKGE COc1ccc(C(C#N)=Cc2ccc(OC(=O)C=Cc3ccc(OC)c(OC)c3)c(OC)c2)cc1 2320506104 BQNNVVZVXQBBDJ-UHFFFAOYSA-N 471.509 5.404 50 10 JKGE Cc1ccc(SCCCC(=O)NN=Cc2c(C(C)C)nc3c(Cl)cc(C(F)(F)F)cn23)cc1 2321215815 RLMQTEPBMVAEQT-UHFFFAOYSA-N 496.986 6.461 50 10 JKGE Cc1c(OCc2ccc(CCl)cc2)ccc2c1OC(=Cc1ccc(Br)cc1)C2=O 2325339797 NKENCKQMNMIRTF-UHFFFAOYSA-N 469.762 6.692 50 10 JKGE Brc1cccc(Br)c1CN1CC[C@H]2C[C@H](Br)CC[C@H]21 2328779291 MRSNHNXURAKDNS-FIXISWKDSA-N 452.028 5.350 50 10 JKGE CCCOc1ccc(-c2csc(C(C#N)=C(O)COc3ccc(C)cc3C(C)(C)C)n2)cc1 2331318465 NZKNEELKTOENAZ-UHFFFAOYSA-N 462.615 7.077 50 10 JKGE COc1ccc(C)cc1-c1csc(C(C#N)=C(O)c2ccc3c(c2)C(=O)N(C(C)(C)C)C3=O)n1 2331322988 QDGBZSCNLWOUIL-UHFFFAOYSA-N 473.554 5.472 50 10 JKGE COc1ccc(C)cc1-c1csc(C(C#N)=C(O)[C@H]2CC(=O)N(c3cc(Cl)ccc3OC)C2)n1 2331323555 DGRSURVCPPEJQH-HNNXBMFYSA-N 495.988 5.635 50 10 JKGE Cc1c(C(O)=C(C#N)c2nc(-c3cccc4ccccc34)cs2)cc([N+](=O)[O-])cc1[N+](=O)[O-] 2331339920 JSAWWUCLLMFFRJ-UHFFFAOYSA-N 458.455 6.038 50 10 JKGE Cc1c(Br)ccc([C@@H](Br)[C@@H]2CC[C@@H]3C[C@H]2CO3)c1Br 2334122375 GYBIHXCRVVGWAC-SQYUCLKFSA-N 453.012 5.771 50 10 JKGE COc1cc([C@@H](Br)c2ccc(OCc3ccccc3)cc2Br)ccc1F 2336083310 JEPVYXYUHMQRAJ-OAQYLSRUSA-N 480.171 6.660 50 10 JKGE Fc1cc([C@@H](Br)c2ccc(OCc3ccccc3)cc2Br)cc(F)c1F 2336083468 KIXGHNDOSVDNHS-LJQANCHMSA-N 486.125 6.930 50 10 JKGE Fc1c(Br)cc(Cl)c([C@H](Br)C[C@@]23CCC[C@@H]2C3)c1Br 2337085873 FDKDJCVKAWOMKQ-XOHTZPTOSA-N 475.421 7.020 50 10 JKGE C[C@]12CO[C@]([C@@H](Br)c3c(Cl)cc(Br)c(F)c3Br)(C1)C2 2337095359 ZSOANITUPWUSCJ-RWMBFGLXSA-N 477.393 6.009 50 10 JKGE Cc1cc(Br)c(F)c(Br)c1[C@@H](Br)[C@H]1C[C@@H]2CC[C@H]1O2 2339647101 XYQVRKXNFIXOHC-OBBWGPJDSA-N 456.975 5.663 50 10 JKGE Fc1c(Cl)cccc1C[C@@H](Br)c1ccc(Cl)cc1I 2340055863 HESGMEMXDYQEDE-LLVKDONJSA-N 473.938 6.416 50 10 JKGE C[C@H](Br)CN(Cc1cc(I)ccc1Cl)C1CCCC1 2352417118 FIFJIHYMRXSELP-NSHDSACASA-N 456.593 5.473 50 10 JKGE Cc1cc(Br)c(C)c([C@@H](Br)[C@@H]2CC[C@@H]3C[C@H]2CO3)c1Br 2359120118 JMNLAQUIYVUKAG-LGSVPQMISA-N 467.039 6.080 50 10 JKGE CC(C)C[C@H](C(C)C)[C@H](Br)c1c(Cl)cc(Br)c(F)c1Br 2362248946 VIWVRJOUISEUBC-RNCFNFMXSA-N 493.480 7.758 50 10 JKGE CC(C)([C@H]1CCCO1)[C@@H](Br)c1c(Cl)cc(Br)c(F)c1Br 2362253178 HWULKARJOCESHR-RNCFNFMXSA-N 493.436 6.645 50 10 JKGE Cc1cc(Br)c(F)c(Br)c1[C@H](Br)[C@@H]1CCC[C@@H]1C(F)F 2365197137 SVFUDHDMKHGHEI-VHSKPIJISA-N 478.972 6.777 50 10 JKGE Cn1nc(Br)c(Br)c1[C@H](Cl)CCc1cc(Cl)cc(Cl)c1 2366900700 XXLAKPQYNNSWID-SNVBAGLBSA-N 461.412 6.165 50 10 JKGE Clc1cc(CN2C[C@@H]3C[C@H](CBr)C[C@@H](C3)C2)ccc1I 2369236238 NINYQFXSSBLVMG-BTTYYORXSA-N 468.604 5.188 50 10 JKGE COC(C)(C)C1(COc2c(Br)cc(Br)cc2CBr)CC1 2369830758 LMUQQQCQCWBHCX-UHFFFAOYSA-N 471.027 5.691 50 10 JKGE CN(CC[C@H](Br)c1cccs1)Cc1cc(I)ccc1Cl 2380515869 VKYIKMXQBAYRDM-ZDUSSCGKSA-N 484.628 5.964 50 10 JKGE CCOC(=O)c1ccc(-c2ccc(/C=C(/C#N)C(=O)Nc3ccc([N+](=O)[O-])cc3C(F)(F)F)o2)cc1 6599942 SUSCQTFGDCYGOQ-WJDWOHSUSA-N 499.401 5.596 50 10 JKGE CC(C)(C)c1ccc(C(=O)NNC(=O)c2ccc(NC(=O)c3ccc(C(C)(C)C)cc3)cc2)cc1 12492082 YUEZLOUAOZSTKS-UHFFFAOYSA-N 471.601 5.609 50 10 JKGE CCCCCCOc1ccccc1C(=O)NNC(=O)c1ccc(NC(=O)C2CCCCC2)cc1 14032687 CLPNCPKVAZYRBQ-UHFFFAOYSA-N 465.594 5.239 50 10 JKGE COc1ccc(/C(C)=N\NC(=O)CSc2nc3ccccc3n2Cc2ccc(C)cc2)cc1OC 28351000 LBCFEOYBYWBLSS-CEUNXORHSA-N 488.613 5.043 50 10 JKGE CCOc1ccc(NC(=O)/C(C#N)=C/c2cc(C)n(-c3sc4c(c3C#N)CCCC4)c2C)cc1 33525948 XRDCZEZABOPWFL-XSFVSMFZSA-N 470.598 5.851 50 10 JKGE CSc1ccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)COc4ccccc4Cl)ccc32)cc1 38682367 BPMCJYWFOZEELN-XMMPIXPASA-N 478.957 5.264 50 10 JKGE N#C/C(=C\c1ccc(-c2cccc([N+](=O)[O-])c2)o1)C(=O)Nc1cc(C(F)(F)F)cc(C(F)(F)F)c1 39884893 KSJOQXDGZPGRQV-NTUHNPAUSA-N 495.335 6.438 50 10 JKGE Cc1ccc(C)c(NC(=O)c2oc3c(c2C)/C(=N/NC(=O)Cc2coc4c(C)c(C)ccc24)CCC3)c1 40826657 WPOXTYUGNDHNGG-AWSUPERCSA-N 497.595 6.220 50 10 JKGE Cc1ccc(COc2ccc(/C=N/NC(=O)CSc3nc(-c4ccccc4)cs3)cc2)cc1 40924472 NUCCVBWDJNYJKU-JFLMPSFJSA-N 473.623 5.940 50 10 JKGE CCOC(=O)c1c(-c2ccc(Br)cc2)csc1NC(=O)/C(C#N)=C\c1cnn(CC)c1 96438797 PVBSPPWOSJJWCK-SXGWCWSVSA-N 499.390 5.116 50 10 JKGE COc1ccc(N2C(=O)[C@@H](Cc3ccc(Cl)cc3)S/C2=C(/C#N)C(=O)Nc2ccccc2)cc1 101244598 JVUVRNQYQQMKCY-YMGIJWJESA-N 489.984 5.414 50 10 JKGE COc1cc(Br)c(OCC2(CBr)CCCC2)cc1Br 118642189 AEOREEFUZRHSPR-UHFFFAOYSA-N 457.000 5.554 50 10 JKGE CC(C)CCC[C@@H](C)[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@@]21C 118920969 RJYDKYCTOASENH-SENADXEMSA-N 491.200 8.957 50 10 JKGE Fc1ccc([C@@H](Br)c2ccc(Br)c(C(F)(F)F)c2)cc1Br 124622284 KEYXLJRWHMLBGK-ZDUSSCGKSA-N 490.914 6.854 50 10 JKGE Cc1cc(Cl)c([C@@H](Br)c2cc(Br)ccc2Br)cc1C 161119908 ZQXZLNBGWGUNMU-HNNXBMFYSA-N 467.426 6.966 50 10 JKGE COc1cc(F)c(Br)cc1[C@H](Br)c1cccc(I)c1 234916083 UIRLWSFWQNFOSK-CQSZACIVSA-N 499.943 5.686 50 10 JKGE C=CCc1ccccc1OCC(=O)NN=Cc1ccccc1OCc1cccc(Br)c1 252625656 QOLRQLDUYSIMSL-UHFFFAOYSA-N 479.374 5.286 50 10 JKGE Cc1ccc(C=NNC(=O)CSc2nnc(-c3ccc(C(C)(C)C)cc3)n2-c2ccccc2)s1 254737223 YDNXCIMSINPJEU-UHFFFAOYSA-N 489.670 5.844 50 10 JKGE CCC(C)(C)c1ccc(OCCCC(=O)NN=C(C)c2cccc([N+](=O)[O-])c2)c(C(C)(C)CC)c1 254742853 YLQVCWJVSGZAPZ-UHFFFAOYSA-N 481.637 6.669 50 10 JKGE Brc1cc([C@H](Br)C(C2CCC2)C2CCC2)sc1Br 310607634 AAIKSICFVLJYQQ-ZDUSSCGKSA-N 457.069 6.926 50 10 JKGE C[C@H](Cl)c1nc2cc(I)c(F)cc2n1[C@H](C)CCOCc1ccccc1 389615421 UXOTUPZTLRJUOU-KGLIPLIRSA-N 486.756 6.248 50 10 JKGE C[C@H](Cl)c1nc2cc(I)c(F)cc2n1C[C@H](C)N(C)Cc1ccccc1 390587736 RINPJNXUGNONOR-KBPBESRZSA-N 485.772 5.600 50 10 JKGE BrCC(CBr)(CC[C@H]1CCOC1)c1ccc(Br)cc1 400528943 AHYNDZQSBSXTCM-LBPRGKRZSA-N 455.028 5.293 50 10 JKGE COc1cc(C)c(Br)cc1[C@H](Br)c1nscc1Br 404755297 AWLHYNNBUYYWIA-NSHDSACASA-N 455.997 5.469 50 10 JKGE CC(C)(C)OC(=O)NCCN1CCOCC[C@@H]1c1ccccc1CO[Si](C)(C)C(C)(C)C 616599823 XMHOCIGLLPOUJU-JOCHJYFZSA-N 464.723 5.497 50 10 JKGE Brc1csc([C@H](Br)c2ccc3c(c2)OCCO3)c1Br 705466333 PATWSIQUJULTFL-LLVKDONJSA-N 468.992 5.529 50 10 JKGE C[C@H](Cl)c1nc2cc(F)c(F)cc2n1CC1(N(Cc2ccccc2)Cc2ccccc2)COC1 705606954 WWQBNFDYQXKIFP-IBGZPJMESA-N 481.974 6.086 50 10 JKGE O=C(N[C@H](CCBr)C1CCCC1)c1cc(Br)c(Br)s1 725075725 BEIQLCMGJGRUFE-SNVBAGLBSA-N 474.056 5.347 50 10 JKGE C=CCc1cc(C=NNC(=O)c2cc3ccccc3o2)cc(OC)c1OCc1cccc2ccccc12 1084024966 HXCAYFDUOVOBEP-UHFFFAOYSA-N 490.559 6.666 50 10 JKGE C=CCc1cc(C=NNC(=O)c2cc3ccccc3o2)cc(OCC)c1OCc1ccc(F)cc1 1084564165 XNOSSUCBVOLGKF-UHFFFAOYSA-N 472.516 6.042 50 10 JKGE ClCc1cc(-c2ccc(I)cc2)nn1-c1cccc(Br)c1 1614816873 ARZIHTLGXVIHPA-UHFFFAOYSA-N 473.539 5.645 50 10 JKGE COc1ccc(CCN2C(=O)C(C#N)=C(C)/C(=C\Nc3ccc(N=Nc4ccccc4)cc3)C2=O)cc1 1772742752 CZWLPSOORUZCFC-YWVKHONUSA-N 491.551 5.858 50 10 JKGE Cc1c(C(=O)Nc2ccc(Cl)cc2Cl)oc2c1C(=NNC(=O)c1ccc(F)cc1)CCC2 1772744909 MFQRTXWJKANVIR-UHFFFAOYSA-N 474.319 5.757 50 10 JKGE CCCCOc1ccc([C@H]2C(C#N)=C(N)Oc3c2c(C)nn3-c2ccc(C)cc2)cc1OCC 1865687531 TWXKLHLKHWXXAA-VWLOTQADSA-N 458.562 5.285 50 10 JKGE CCCCOc1ccc([C@@H]2C(C#N)=C(N)Oc3c2c(CCC)nn3Cc2ccccc2F)cc1 1865693304 UKLROBSUIBHOJB-XMMPIXPASA-N 460.553 5.420 50 10 JKGE COc1cc([C@@H]2C(C#N)=C(N)Oc3c2c(C)nn3Cc2ccc(Cl)c(Cl)c2)cc(Cl)c1O 1865707353 VDLUTAHRRCDGBQ-LJQANCHMSA-N 491.762 5.132 50 10 JKGE N#CC1=C(N)Oc2c(c(-c3ccccc3)nn2Cc2ccccc2F)[C@@H]1c1ccc(C(F)(F)F)cc1 1865710704 FXKCMRJOTKOLQM-JOCHJYFZSA-N 490.460 5.974 50 10 JKGE CCc1nn(Cc2ccccc2)c2c1[C@@H](c1cccc(OCc3ccccc3)c1)C(C#N)=C(N)O2 1865712345 WEWIWTKQWCQMTB-SANMLTNESA-N 462.553 5.291 50 10 JKGE COc1ccc([C@H]2C(C#N)=C(N)Oc3c2c(-c2ccccc2)nn3-c2ccc(Cl)c(Cl)c2)cc1 1865713241 USMGOKLBOLOUPT-QFIPXVFZSA-N 489.362 6.073 50 10 JKGE N#CSc1ccc(NC(=O)[C@@H](NC(=O)CCCc2cccc(Cl)c2)c2ccccc2)cc1 1867124224 COMBFDAFLCHDAH-DEOSSOPVSA-N 463.990 5.732 50 10 JKGE COc1ccc(/C=C(\C#N)c2nc3ccc(C)cc3[nH]2)cc1OCc1ccc(Cl)c(Cl)c1 1872728107 OBVQLBDDRUFOCQ-VCHYOVAHSA-N 464.352 6.830 50 10 JKGE COc1cc(/C=C(\C#N)c2ccc(C(=O)OC(C)C)o2)cc(Br)c1OCc1ccccc1 1872728756 RMCWOPBTVDGRAA-YBFXNURJSA-N 496.357 6.259 50 10 JKGE C[C@H](c1ccccc1)N1C[C@@H](/C(O)=C(\C#N)c2nc(-c3ccc(Cl)cc3Cl)cs2)CC1=O 1872744674 CMEOYVKFMAUABA-GDJRBPOVSA-N 484.408 6.519 50 10 JKGE N#C/C(=C(O)\C=C/c1ccc(Cl)cc1)c1nc(-c2ccc(Oc3ccccc3)cc2)cs1 1872753654 HVRPRMURJIUZTL-KGZCOCKQSA-N 456.954 7.762 50 10 JKGE COc1ccc(-c2csc(/C(C#N)=C(\O)c3cc([N+](=O)[O-])c(C)c([N+](=O)[O-])c3)n2)cc1Cl 1872757652 PQAVIYJQTUUHBG-UYRXBGFRSA-N 472.866 5.547 50 10 JKGE COc1ccc(Cl)cc1-c1csc(/C(C#N)=C(\O)c2cc([N+](=O)[O-])cc([N+](=O)[O-])c2C)n1 1872758766 PMOKKGPUHMUPTM-CYVLTUHYSA-N 472.866 5.547 50 10 JKGE CCCCc1ccc(-c2csc(/C(C#N)=C/c3ccc(OCc4ccccc4Cl)cc3)n2)cc1 1872780720 ISWFWSNZTRCUBC-KOEQRZSOSA-N 485.052 8.449 50 10 JKGE COc1cc(/C=C(\C#N)c2nc(-c3cc(C)cc(C)c3OC)cs2)ccc1OCc1ccccc1 1872792811 RXMKIYZSHFXNJE-OEAKJJBVSA-N 482.605 7.087 50 10 JKGE Cc1nsc(Br)c1[C@@H](Br)c1cc(Cl)c(Cl)c(Cl)c1Cl 1912932373 NDTQLXOAGCSRGV-ZETCQYMHSA-N 484.855 7.312 50 10 JKGE Cc1ccc([C@H](Br)c2sc(Br)c(C)c2Br)c(C)c1 1922947017 XYDWEWVKWBDRCW-LBPRGKRZSA-N 453.037 6.683 50 10 JKGE Clc1c(Br)sc(Br)c1[C@H](Cl)c1ccc(Br)cc1 1923054614 HUIRITKOVWSGMJ-MRVPVSSYSA-N 479.846 7.017 50 10 JKGE COc1ccccc1C[C@H](Br)c1c(Br)sc(Br)c1Cl 1923068509 SKHHLWYVTVILIT-QMMMGPOBSA-N 489.454 6.614 50 10 JKGE Brc1sc(Br)c([C@H](Br)c2cccs2)c1Br 1924575729 FBOWKRRNULZPKM-ZCFIWIBFSA-N 495.881 6.581 50 10 JKGE Fc1ccsc1[C@@H](Cl)c1c(Br)sc(Br)c1Br 1924579376 DQDCLVRQVIDFEF-LURJTMIESA-N 469.420 6.564 50 10 JKGE FC(F)C(F)(F)[C@@H](Cl)c1c(Br)sc(Br)c1Br 1924579477 GFOOTDWWPGXVTA-VKHMYHEASA-N 469.317 6.216 50 10 JKGE Cc1ccccc1C[C@H](Cl)c1c(Br)sc(Br)c1Br 1924586233 VOXHFGGIXCHUDF-VIFPVBQESA-N 473.455 6.867 50 10 JKGE Clc1sc(Cl)c([C@@H](Br)c2ccc(OCc3ccccc3)cc2)c1Cl 1925601664 XEZNERDZGPZLRI-HNNXBMFYSA-N 462.623 7.772 50 10 JKGE CC[C@H](Br)C(=O)Nc1cc(Br)c(Br)c(Br)c1 1938595211 ZKKUNNDNNPTDJA-LURJTMIESA-N 478.804 5.086 50 10 JKGE CC(C)(C)OC(=O)N[C@H](CBr)[C@H]1CN(Cc2ccccc2)C2(CCCCCC2)C1 1975074743 XOTXUASZZFODID-NHCUHLMSSA-N 465.476 5.890 50 10 JKGE Clc1ccc(CN(Cc2ccccc2)[C@@H](CBr)C2CC2)cc1Br 1979517102 FJZZHNUMMUYJCU-IBGZPJMESA-N 457.637 6.278 50 10 JKGE Cc1c(Br)sc([C@H](Br)[C@](C)(F)C(C)(C)F)c1Br 2003235572 ZSHSWRUSFWDIGE-KWQFWETISA-N 455.000 6.494 50 10 JKGE Cc1nc([C@@H](Br)c2c(Cl)sc(Cl)c2Cl)c(Br)s1 2003568895 LKDOHJQUWGJYTJ-BYPYZUCNSA-N 456.439 6.720 50 10 JKGE Fc1ccc([C@H](Cl)c2cccc(Br)c2Br)cc1Br 2031480045 QQWZWNBYTFRMNG-ZDUSSCGKSA-N 457.362 6.441 50 10 JKGE COc1sc([C@@H](Br)c2ccc(C)cc2Br)cc1Br 2034629829 QNIJDWQCKVBJTI-LBPRGKRZSA-N 455.009 6.074 50 10 JKGE Fc1c(Cl)cccc1C[C@H](Br)c1cc(Br)sc1Br 2050548219 CEBLENHOZDRQLR-QMMMGPOBSA-N 477.418 6.744 50 10 JKGE COc1cc(C=C(C#N)c2ccccc2[N+](=O)[O-])ccc1OCC(=O)Nc1ccccc1Cl 2053514117 BXDXGIMARFHBEG-UHFFFAOYSA-N 463.877 5.338 50 10 JKGE O=C(N[C@@H](CBr)c1cccs1)c1scc(Br)c1Br 2055479637 PBTVKFWJUGZMGA-ZETCQYMHSA-N 474.037 5.201 50 10 JKGE BrCC(CBr)(Cc1cnsc1Br)C1CCCCC1 2055661941 FXJVNWSQDBTEBI-UHFFFAOYSA-N 460.073 5.805 50 10 JKGE CC[C@H](C)N(Cc1ccccc1)S(=O)(=O)c1ccc(Cl)c(CBr)c1Cl 2059292039 SCDILVURGQZSLR-ZDUSSCGKSA-N 465.240 5.878 50 10 JKGE Fc1cc(Br)c([C@@H](Br)c2ncsc2Br)c(F)c1Cl 2081837446 ACTAYCVDVRVGEK-ZCFIWIBFSA-N 482.369 6.084 50 10 JKGE Cc1ccc(Br)c([C@H](Br)c2c(Br)sc(C)c2C)c1 2082885844 STPWKZUWTJBBBS-ZDUSSCGKSA-N 453.037 6.683 50 10 JKGE Cc1c(F)ccc([C@H](Br)c2scc(Br)c2Br)c1C 2083357192 BKXOXNGVBNYWBW-NSHDSACASA-N 457.000 6.513 50 10 JKGE Fc1cc(Cl)c([C@@H](Br)c2cc(Br)sc2Br)cc1Cl 2083778084 NBJVPRHAIRVPQR-SNVBAGLBSA-N 497.836 7.203 50 10 JKGE Cc1nc(C[C@@H](Br)c2ccc(Br)cc2Br)sc1C 2085793644 WSDJUENPHYEDGL-GFCCVEGCSA-N 454.025 5.964 50 10 JKGE CC(C)(C)OC(=O)N1CCC[C@](CI)(O[C@@H]2CCCC(F)(F)CC2)C1 2085963619 PTDUJIFKPYWFRN-RHSMWYFYSA-N 473.342 5.176 50 10 JKGE Clc1ccc(C[C@@H](Cl)c2ccc(Br)cc2I)cc1 2086144518 ATNGGGQQEWURKI-CYBMUJFWSA-N 455.948 6.230 50 10 JKGE Cl[C@H](c1ccc(Br)cc1I)c1ncn2ccsc12 2086145332 LJOCILQPHLKDJK-SNVBAGLBSA-N 453.530 5.091 50 10 JKGE Cc1cc(Br)c([C@@H](Br)[C@@H]2CC[C@H]3C[C@H]3CC2)cc1Br 2089421419 FIOOWWUNYDBLJD-BUWBCJGYSA-N 451.040 6.782 50 10 JKGE Brc1cc([C@@H](Br)c2cccc(I)c2)cc2c1OCC2 2090459915 FKSIVHYNAIYQDH-AWEZNQCLSA-N 493.964 5.473 50 10 JKGE BrCCN(Cc1cccc(Br)c1Br)C1CCCCC1 2092337380 IFHBHJNBGWTIIC-UHFFFAOYSA-N 454.044 5.741 50 10 JKGE CN(c1ccc(CBr)cc1Br)[C@@H]1C[C@@H]2CC[C@H](C1)N2Cc1ccccc1 2094899785 FFLNYWHFDSTDHD-PMOLBWCYSA-N 478.272 5.976 50 10 JKGE Cc1c(Br)sc([C@H](Br)C23CC(C)(C2)OC3(C)C)c1Br 2121887051 XXDTWZKXFQGACK-FNBIGBAISA-N 473.068 6.365 50 10 JKGE Cc1cc(Br)c([C@@H](Br)C23CCCC2CCC3)cc1Br 2127344663 RNRATXPWMZITBY-YWCUFVOSSA-N 451.040 6.926 50 10 JKGE Cc1cc(Br)c(C)c([C@@H](Br)[C@@H]2[C@H]3CCCC[C@H]32)c1Br 2136376501 GQWSAWSUGARCKM-PSHZPRKYSA-N 451.040 6.701 50 10 JKGE Cc1cc(Cl)c([C@@H](Br)c2c(Br)cccc2Br)cc1Cl 2136691481 HCZZOEVFMDPMLX-CQSZACIVSA-N 487.844 7.311 50 10 JKGE Cc1c(Br)ccc([C@@H](Cl)c2ccc(Cl)c(Br)c2)c1Br 2138866857 VQPPNKYAOUBFMT-AWEZNQCLSA-N 487.844 7.264 50 10 JKGE Brc1ccc([C@H](Br)[C@@H]2CC3(CCCC3)CO2)c(Br)c1 2138874726 YPMPLDATDLDSRP-KBPBESRZSA-N 453.012 5.997 50 10 JKGE Cn1cc(Br)c(CC(CBr)(CBr)C2CCCCCC2)n1 2143634477 NRZMAKAVPVHDDD-UHFFFAOYSA-N 471.075 5.472 50 10 JKGE Brc1cc2c(cc1[C@H](Br)c1sncc1Br)OCCCO2 2145176966 GDJRPHOCWWNZQH-LBPRGKRZSA-N 484.007 5.314 50 10 JKGE CCN(CCCOCc1ccccc1)S(=O)(=O)c1ccc(Cl)c(CCl)c1Cl 2153181631 PVHIWKYYGLHTFC-UHFFFAOYSA-N 450.815 5.350 50 10 JKGE COc1ccc([C@@H](Br)c2cc(Br)c(Cl)cc2F)cc1Br 2154119650 DPJSRTDIEDUBKX-CQSZACIVSA-N 487.388 6.497 50 10 JKGE C[C@]1([C@@H](Br)c2cc(I)cc3c2OCC3)C[C@H]1C(F)(F)F 2156889283 JJNALDPBZHUEHO-WXHSDQCUSA-N 461.059 5.251 50 10 JKGE Cc1cc(Br)c(C)c([C@@H](Br)[C@H]2CC[C@H]3C[C@H]2CO3)c1Br 2201064435 JMNLAQUIYVUKAG-YWDSYVAPSA-N 467.039 6.080 50 10 JKGE Cc1cc(Br)c(C)c([C@H](Br)Cc2cccc(Cl)c2)c1Br 2201069280 KBMSASXGNOSSHU-CQSZACIVSA-N 481.453 7.161 50 10 JKGE Clc1ccc(I)c(CN2CC[C@@H]3CC[C@H](Br)C[C@H]3C2)c1 2204105853 NUDLRHCLLLACBF-OBJOEFQTSA-N 468.604 5.330 50 10 JKGE CC(C)(C)c1ccc([C@H](Cl)c2ccc(Br)cc2I)cc1 2207273775 XJAVQGKVBBHBGS-INIZCTEOSA-N 463.584 6.679 50 10 JKGE Clc1cc(Br)c([C@H](Br)c2ccc(Br)o2)c(Cl)c1Cl 2217616882 AWAKOOVAZIIMTM-SECBINFHSA-N 498.223 7.249 50 10 JKGE BrC[C@@H](Cc1ccccc1Br)Cc1nscc1Br 2219921277 PFSVTUVGXXFKHV-VIFPVBQESA-N 454.025 5.464 50 10 JKGE COc1ccc([C@H](Br)c2sccc2I)cc1C(C)C 2224903564 PLDWRJITGROZMS-AWEZNQCLSA-N 451.167 5.969 50 10 JKGE COc1ccc([C@H](Br)c2c(Br)cc(C)c(Br)c2C)s1 2227368935 MKTUFFCLOYDGLB-AWEZNQCLSA-N 469.036 6.383 50 10 JKGE Cc1ccc(F)c([C@@H](Br)c2c(Br)cc(C)c(Br)c2C)c1 2235602181 CPEYQICKXHYZPQ-MRXNPFEDSA-N 464.998 6.760 50 10 JKGE Cc1cc(Br)c([C@@H](Br)[C@@H](C)C2CCCCC2)c(C)c1Br 2235603633 BQYRXYRPOOYKAL-GTNSWQLSSA-N 467.083 7.481 50 10 JKGE O=C(Nc1ccccc1CCBr)c1cccc(Br)c1Br 2238844976 KCJATCSOCLRODY-UHFFFAOYSA-N 461.979 5.401 50 10 JKGE CC[C@@H](Br)CN(Cc1ccccc1)C(=O)c1cc(F)c(Br)cc1Cl 2248031533 CDRVIENEPSWGRK-CYBMUJFWSA-N 477.599 6.058 50 10 JKGE COc1ccc([C@@H](Br)c2ccc(Br)s2)c(Br)c1Cl 2256323911 VGYDXBYXJMERTN-SNVBAGLBSA-N 475.427 6.419 50 10 JKGE CCc1cc(C)sc1[C@@H](Br)c1ccc(Cl)c(I)c1 2256335010 FBTNEYPLLRRLAP-ZDUSSCGKSA-N 455.586 6.361 50 10 JKGE Cc1sccc1[C@@H](Br)c1c(F)cc(Br)c(F)c1Br 2260082719 GWWSNFHCHSXYMR-SNVBAGLBSA-N 460.963 6.344 50 10 JKGE CCCc1ccc([C@H](Cl)c2c(Br)sc(Br)c2Br)cc1 2268142664 VXPFFXCHWGZCBF-LBPRGKRZSA-N 487.482 7.316 50 10 JKGE Fc1cc(C[C@H](Br)c2ccc(Cl)c(I)c2)ccc1Cl 2277787091 JVLAWONWIGJODT-JTQLQIEISA-N 473.938 6.416 50 10 JKGE Brc1cc(Br)cc(C[C@H](Br)C2CC(CC3CC3)C2)c1 2277958037 ZTMRSVVIQBZGHD-TZDAIYRESA-N 451.040 6.344 50 10 JKGE Fc1cc(Cl)ccc1[C@@H](Br)Cc1cc(Br)cc(Br)c1 2277960801 LVWCGBIWVIDXFF-ZDUSSCGKSA-N 471.389 6.683 50 10 JKGE Clc1cc(Br)c([C@H](Br)C[C@@H]2CCCC23CC3)c(Cl)c1Cl 2281372506 RFBNMLCJLDTOPZ-DTWKUNHWSA-N 461.452 7.816 50 10 JKGE COc1ccc(NC(=O)C(C#N)=Cc2cc(Cl)ccc2OCc2ccc(C(=O)O)cc2)cc1 2293618353 WKERLLAPCBTUHZ-UHFFFAOYSA-N 462.889 5.171 50 10 JKGE COc1ccc(C[C@@H]2SC(=C(C#N)C(=O)Nc3ccccc3Cl)N(c3ccccc3)C2=O)cc1 2295987698 SYRMFWINOJYXLC-QHCPKHFHSA-N 489.984 5.414 50 10 JKGE N#CC(C(=O)Nc1ccccc1F)=C1S[C@H](Cc2ccc(F)cc2)C(=O)N1c1ccccc1 2296507027 PTMOFHADHKTRBU-JOCHJYFZSA-N 461.493 5.030 50 10 JKGE N#CC(C(=O)c1c[nH]c2ccccc12)=C1S[C@H](Cc2ccc(F)cc2)C(=O)N1c1ccccc1 2296837812 ZKCBSZUYPQOPOY-XMMPIXPASA-N 467.525 5.616 50 10 JKGE CCOc1cc(C=C(C#N)C(=O)Nc2ccccc2)cc(Br)c1OCc1ccccc1 2313518662 NRNWFSPFMDGBJQ-UHFFFAOYSA-N 477.358 5.972 50 10 JKGE COc1cccc(C=C(C#N)C(=O)Nc2ccc(C)cc2)c1OCc1ccc(Cl)c(Cl)c1 2313630746 GDXQOHMXBQMUTR-UHFFFAOYSA-N 467.352 6.435 50 10 JKGE N#CC(=Cc1ccc(OC(=O)c2cccc3ccccc23)cc1)C(=O)Nc1cccc(Cl)c1 2313631936 ZKWFETBQXGWXSH-UHFFFAOYSA-N 452.897 6.258 50 10 JKGE N#CC(=Cc1ccc(OCc2ccc(Cl)cc2Cl)cc1)C(=O)Nc1cccc([N+](=O)[O-])c1 2313681159 OFTXYJVZSDFYKW-UHFFFAOYSA-N 468.296 6.026 50 10 JKGE Brc1ccc(OCc2ccccc2)c([C@H](Br)C[C@H]2CCC[C@@H]3C[C@@H]32)c1 2314441553 ZQTIJQPBGOGIAP-PLOVASNDSA-N 464.241 7.290 50 10 JKGE COc1cccc2cc(-c3nn(-c4ccccc4)cc3C=C(C#N)c3nc4ccccc4[nH]3)oc12 2314450669 KQTHHGFCLGXKFN-UHFFFAOYSA-N 457.493 6.235 50 10 JKGE Brc1cc(OCc2ccccc2)ccc1[C@H](Br)[C@@H]1C[C@H]2C[C@H]1[C@H]1C[C@@H]12 2314458650 GVZMJLDCIYOIJS-FTKDPLJMSA-N 462.225 6.756 50 10 JKGE Brc1ccc(OCc2ccccc2)c([C@@H](Br)C2CC3(CCCO3)C2)c1 2314499423 CJCWXBFCQDBKQU-WJAMPBCPSA-N 466.213 6.423 50 10 JKGE FC1(F)CCC[C@@H]2[C@@H]([C@H](Br)c3sc(Cl)cc3I)[C@@H]21 2316779024 CSUHIMIDWMMREK-KBHCAIDQSA-N 467.544 6.124 50 10 JKGE Cc1cc(Br)c(F)c(Br)c1[C@H](Cl)c1sncc1Br 2317403631 PJAOWQCDJKYDRQ-VIFPVBQESA-N 478.406 6.206 50 10 JKGE Cc1c(Br)sc([C@H](Br)[C@]23C[C@H](C[C@H](C)O2)C3)c1Br 2319799802 ZTXHTJUCTNVAIS-KWMOTYPYSA-N 459.041 5.975 50 10 JKGE COc1ccc(CCC(=O)Oc2cccc(C=C(C#N)c3ccc(OC)c(OC)c3)c2)cc1OC 2320510965 GZUPHXXIGRNXJT-UHFFFAOYSA-N 473.525 5.323 50 10 JKGE CSCC[C@@H](NC(=O)C(C)=Cc1cccc(Cl)c1)C(=O)Nc1ccc(SC#N)cc1 2330530502 WNIGJLGZPDWTON-HXUWFJFHSA-N 460.024 5.193 50 10 JKGE CC(C)(C)N1C(=O)c2ccc(C(O)=C(C#N)c3nc(-c4ccc5ccccc5c4)cs3)cc2C1=O 2331237950 VJUOGQNRAQTCQV-UHFFFAOYSA-N 479.561 6.308 50 10 JKGE Fc1cc(Br)c(Br)cc1[C@@H](Br)[C@@H]1CC[C@H]2C[C@@H]1CO2 2333604535 GIGNQAKEORNZII-XULOGPSESA-N 456.975 5.602 50 10 JKGE BrCc1cc(Br)c(OC[C@@H]2C[C@@H]3CC[C@H]2C3)c(Br)c1 2334278641 CILRIDHTVMWVGB-USWWRNFRSA-N 453.012 5.922 50 10 JKGE CCCc1sc(Br)cc1[C@@H](Cl)c1c(Br)c(Br)nn1C 2338695288 VEGDUZLPFDASET-SNVBAGLBSA-N 491.474 6.050 50 10 JKGE C[C@H]1CCC[C@](CBr)(OCc2ccc(Cl)cc2I)C1 2340110175 MSNRKHJRYGMPMM-NHYWBVRUSA-N 457.577 5.805 50 10 JKGE Cc1cccc(OCc2cc(I)ccc2Br)c1CCl 2341780908 RXDBFADLDSYYIN-UHFFFAOYSA-N 451.529 5.680 50 10 JKGE Fc1cc(Cl)c(Br)c(Cl)c1[C@H](Br)[C@@H]1CC[C@H]2[C@@H]1C2(F)F 2360419314 YHUYEBGYOMGRDY-GNUMKPJESA-N 452.923 6.622 50 10 JKGE C[C@H](c1ccccc1)[C@H](Br)c1c(Cl)cc(Br)c(F)c1Br 2362236608 PMEMEJIBZUXSTQ-OQPBUACISA-N 485.416 7.244 50 10 JKGE CN(c1cc(Cl)c(F)cc1CBr)[C@@H]1C[C@@H]2C[C@H](OCc3ccccc3)C[C@@H]21 2362382820 JEKFUXBHFTZOGX-ABXWHYIOSA-N 452.795 6.194 50 10 JKGE COc1c(Br)cc(C)c([C@@H](Br)c2cccc(Cl)c2)c1Br 2365189528 VVPIUMWKQKDNQW-ZDUSSCGKSA-N 483.425 6.666 50 10 JKGE C[C@@H]1CCC[C@]12[C@@H](Cl)C[C@H]2OCc1cc(I)ccc1Br 2367610483 HTMILXQTJWHYCZ-CXOGBFNASA-N 469.588 5.756 50 10 JKGE ClCc1nc2cc(Br)ccc2n1Cc1sc(Cl)cc1Br 2369902241 ZVYVTHVSDDAPDU-UHFFFAOYSA-N 455.002 6.063 50 10 JKGE CSc1cccc(N/C(SCc2cccc(C)c2)=C(/C#N)S(=O)(=O)c2ccccc2)c1 20325551 PWXMQZXKNBPEAO-WCWDXBQESA-N 466.653 6.229 50 10 JKGE COc1cc(/C=C(/C#N)c2ccc(Cl)cc2)ccc1OC(=O)CCN1C(=O)c2ccccc2C1=O 31902174 WDENSALMIPQMGV-RGEXLXHISA-N 486.911 5.004 50 10 JKGE COc1ccc(-c2ccc(/C=C(/C#N)C(=O)Nc3cc(Cl)ccc3OC)o2)c([N+](=O)[O-])c1 33417372 KVHBPLPXIGKWKA-LCYFTJDESA-N 453.838 5.071 50 10 JKGE CCCCOc1ccc(/C=C(/C#N)C(=O)Nc2ncc(Cc3cccc(Cl)c3)s2)cc1 34793385 WXKQWSGGOGFXBR-UNOMPAQXSA-N 451.979 6.112 50 10 JKGE CC(C)CCOc1cccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4cccs4)ccc32)c1 38684656 GQIRNSHMSPWHIN-DEOSSOPVSA-N 460.555 5.610 50 10 JKGE COc1ccccc1[C@H]1C(C#N)=C(N)Oc2cc(OC(=O)c3oc4ccccc4c3C)ccc21 40530320 DEIUEIRNESQCMY-XMMPIXPASA-N 452.466 5.187 50 10 JKGE Cc1cc(C)cc(OC(=O)c2oc3c(c2C)/C(=N/NC(=O)c2ccccc2Cl)CCC3)c1 40812596 JDASFUFTDWGJAO-NHFJDJAPSA-N 450.922 5.548 50 10 JKGE N#C/C(=C/c1ccccc1OCc1ccc(Br)cc1)C(=O)Nc1ccc(Cl)cc1 59116870 XJBQBUGDQSYVGT-AQTBWJFISA-N 467.750 6.227 50 10 JKGE O=C(Cn1c(C(F)(F)F)nc2ccccc21)N/N=C/c1ccccc1OCc1ccccc1Cl 59181324 ICGPLAGXASMFDS-VFLNYLIXSA-N 486.881 5.438 50 10 JKGE BrCC1(COc2c(Br)cc(Br)cc2Br)CC1 96870978 GIXVPBSRZQPITC-UHFFFAOYSA-N 477.816 5.528 50 10 JKGE BrC[C@H](Cc1ccc(Br)cc1)Cc1sccc1Br 97183322 LJXJPXPHRAMVQO-LLVKDONJSA-N 453.037 6.069 50 10 JKGE CCCCCCCOc1ccc(C(=O)NC(=S)NNC(=O)COc2ccc([C@@H](C)CC)cc2)cc1 100154534 QEHWWOGTGZSTTC-FQEVSTJZSA-N 499.677 5.264 50 10 JKGE COc1cc(/C=C2/C(=O)N(Cc3ccc(F)cc3)C(=O)C(C#N)=C2C)ccc1OCCC(C)C 101340601 PBNGDINTOADQNC-LPYMAVHISA-N 462.521 5.052 50 10 JKGE CC(C)COC(=O)c1ccc(N/C=C(\C#N)c2nc(-c3cc4ccccc4oc3=O)cs2)cc1 102934567 YGULNNFSLYZTOD-CPNJWEJPSA-N 471.538 5.706 50 10 JKGE COC(=O)c1cc(/C=C(/C#N)c2nc(-c3ccc(Cl)c(Cl)c3)cs2)cc(C(=O)OC)c1 102938871 ZJWPBRCLQUXDOR-APSNUPSMSA-N 473.337 5.754 50 10 JKGE CCc1cccc(C)c1N/C(SCc1ccccc1C)=C(\C#N)S(=O)(=O)c1ccccc1 104689322 NRZZWPZSIMTZLA-LCUIJRPUSA-N 462.640 6.378 50 10 JKGE Brc1ccc([C@H](Br)c2cc(Br)c(Br)s2)cc1 128281645 USFWUDLNFDDTRD-JTQLQIEISA-N 489.852 6.520 50 10 JKGE CN1C(=O)Cc2cc([C@H](Br)c3cc(Br)c(Br)s3)ccc21 128551539 QOSFIZCLJDQRIB-ZDUSSCGKSA-N 480.019 5.276 50 10 JKGE CCOc1cc(/C=N/NC(=O)Nc2ccccc2)ccc1OCc1ccc(Cl)c(Cl)c1 169885070 WDIXWVDBIRPACH-VULFUBBASA-N 458.345 6.127 50 10 JKGE COc1ccc(/C=C\C(=O)Oc2ccc(/C=C(/C#N)c3nc(-c4ccc(F)cc4)cs3)cc2)cc1 210607228 WOKFXSCSQGDHFH-MORSCQRBSA-N 482.536 6.641 50 10 JKGE CCOc1ccc([C@H](Br)c2ccc(Br)c(Cl)c2)cc1Br 228994944 FHVLQSUECYEBAO-HNNXBMFYSA-N 483.425 6.748 50 10 JKGE CC(C)Oc1ccc([C@H](Br)c2cc(Br)sc2Br)cc1 232688352 FRAJSVQAXUNUKA-ZDUSSCGKSA-N 469.036 6.545 50 10 JKGE CCOc1ccc([C@@H](Br)c2cc(Cl)cc(Br)c2)c(Br)c1 233818740 JYPCREGEKHBYPF-HNNXBMFYSA-N 483.425 6.748 50 10 JKGE COc1ccc([C@@H](Br)c2cc(Br)ccc2I)c(F)c1 234971624 KFZDMZXSUIVMOB-CQSZACIVSA-N 499.943 5.686 50 10 JKGE COc1ccc([C@H](Br)c2cc(Br)ccc2I)c(F)c1 234992031 KFZDMZXSUIVMOB-AWEZNQCLSA-N 499.943 5.686 50 10 JKGE CCOc1cc(C=NNC(=O)CSCc2ccccc2Cl)ccc1OCc1ccccc1 252638686 YEJRYMFNORUWRX-UHFFFAOYSA-N 469.006 5.701 50 10 JKGE CC(=NNC(=O)[C@@]1(C)CC1(Cl)Cl)c1ccc(NC(=O)[C@@H](C)Oc2ccc(Cl)cc2C)cc1 252642700 ZOKHTWYURUOBOU-IVZQSRNASA-N 496.822 5.479 50 10 JKGE O=C(NN=Cc1cccc(Cl)c1)c1cccc(NC(=O)c2ccccc2Br)c1 254350661 OQMZECWTEPKCIH-UHFFFAOYSA-N 456.727 5.119 50 10 JKGE Cc1ccc(C(C)C)c(OCC(=O)NN=Cc2c(OC(=O)c3ccccc3)ccc3ccccc23)c1 254478004 FFQMNPZVFQINNB-UHFFFAOYSA-N 480.564 6.020 50 10 JKGE CC(=NNC(=O)c1cc(-c2ccc(-c3ccccc3)cc2)n[nH]1)c1ccc(-c2ccccc2)cc1 254842811 ZFMVUNBGGMRHRM-UHFFFAOYSA-N 456.549 6.565 50 10 JKGE CC[C@@H]1CCC[C@H](O[C@@](C)(CI)CN(CC)C(=O)OC(C)(C)C)C1 303741479 OQBAOLNPKWYSGY-GJYPPUQNSA-N 453.405 5.423 50 10 JKGE ClCc1nc2cncc(Cl)c2n1-c1ccc(I)cc1Br 312351609 IDOPOTTVIYGEEH-UHFFFAOYSA-N 482.934 5.180 50 10 JKGE Cc1cc(C)c([C@@H](Cl)c2ccc(Br)cc2Br)c(C)c1Br 380494595 YSRVPMDPLKVXMX-INIZCTEOSA-N 481.453 7.228 50 10 JKGE C[C@@H]1CN(Cc2ccccc2)C[C@H]1n1c(CCCl)nc2cc(F)c(Br)cc21 389875931 UHMPCWXBQPGXQF-JLTOFOAXSA-N 450.783 5.412 50 10 JKGE CN(c1cccc(Br)c1CBr)C1CCN(Cc2ccccc2)CC1 394716702 UUJJJTVWCWJGCZ-UHFFFAOYSA-N 452.234 5.445 50 10 JKGE O=C1Cc2cc([C@H](Br)c3cscc3Br)c(Br)cc2N1 404729785 BCXDIDZSLGARSC-ZDUSSCGKSA-N 465.992 5.252 50 10 JKGE N#CSc1ccc(NC(=O)Nc2cccc(C(=O)Nc3ccc(OC(F)(F)F)cc3)c2)cc1 586733247 WUDPOWBRXXMDRQ-UHFFFAOYSA-N 472.448 6.055 50 10 JKGE Brc1ccsc1[C@@H](Br)c1cc(Br)c2c(c1)CCCO2 689530594 XZURHFVNXUTWJW-LBPRGKRZSA-N 467.020 6.082 50 10 JKGE Cc1cc(C)c([C@H](Br)c2c(Br)cnn2C)c(C)c1Br 693069518 FFCPQHGIZXEHFO-ZDUSSCGKSA-N 451.000 5.355 50 10 JKGE CCOc1ccc([C@H](O)CCC(=O)NN=Cc2ccc(OCc3ccc4ccccc4c3)cc2)cc1 1083952890 PFTCKSZLCJYSMZ-GDLZYMKVSA-N 482.580 5.781 50 10 JKGE CCOc1cc(C=NNC(=O)CC[C@@H](O)c2ccccc2)cc(Cl)c1OCc1ccccc1C#N 1084020813 HGMAJQXIRNMTRR-XMMPIXPASA-N 491.975 5.153 50 10 JKGE C[C@@H](Oc1ccc(Cl)cc1Cl)C(=O)NN=C1C(=O)N(C/C=C/c2ccccc2)c2ccccc21 1084114611 NISFBTQCGGONKD-AZHQIZNBSA-N 494.378 5.341 50 10 JKGE Cc1cc(Cl)ccc1NC(=O)C(=O)NN=Cc1cc(C)n(-c2cccc(Cl)c2Cl)c1C 1084248874 PXMUDYFHXJLYPZ-UHFFFAOYSA-N 477.779 5.452 50 10 JKGE COc1cc(C=NNC(=O)c2cc3ccccc3o2)cc(Cl)c1OCc1ccc(Cl)cc1 1084447809 RGRIMQSLPRCVHG-UHFFFAOYSA-N 469.324 6.091 50 10 JKGE CCCc1nn(Cc2cc(C)ccc2C)c2c1[C@@H](c1c(F)cccc1Cl)C(C#N)=C(N)O2 1865682429 OBQFFGXTKHKQDX-OAQYLSRUSA-N 450.945 5.511 50 10 JKGE CCc1nn(-c2ccccc2Cl)c2c1[C@H](c1ccc(OCc3ccccc3)cc1)C(C#N)=C(N)O2 1865690458 RWNPHMAHJPLEMX-RUZDIDTESA-N 482.971 5.885 50 10 JKGE CCCCOc1ccc([C@@H]2C(C#N)=C(N)Oc3c2c(CCC)nn3Cc2cccc(F)c2)cc1OC 1865697562 WOBIKQPFXRKUDD-RUZDIDTESA-N 490.579 5.429 50 10 JKGE CCCc1nn(Cc2cccc(Cl)c2)c2c1[C@H](c1cn(C)c3ccccc13)C(C#N)=C(N)O2 1865698959 GYSYSDFBILZUDW-QHCPKHFHSA-N 457.965 5.247 50 10 JKGE Cn1cc([C@@H]2C(C#N)=C(N)Oc3c2c(C(F)(F)F)nn3-c2cccc3ccccc23)c2ccccc21 1865699045 JNCLUYSHQJFZHL-QFIPXVFZSA-N 485.469 5.754 50 10 JKGE N#CC1=C(N)Oc2c(c(-c3ccccc3)nn2-c2ccc(Cl)c(Cl)c2)[C@@H]1c1cccnc1 1865700161 MBSWVZICZGVVQS-HXUWFJFHSA-N 460.324 5.459 50 10 JKGE CCCOc1ccccc1[C@H]1C(C#N)=C(N)Oc2c1c(-c1ccccc1)nn2Cc1ccccc1 1865703059 LYDGKHXMLPMKSU-VWLOTQADSA-N 462.553 5.605 50 10 JKGE CCCc1nn(Cc2ccccc2F)c2c1[C@H](c1ccc(C(F)(F)F)cc1)C(C#N)=C(N)O2 1865710519 ALJFZMQAYFIXMI-HXUWFJFHSA-N 456.443 5.260 50 10 JKGE COc1cccc(-c2ccc(C(=O)N/N=C\c3ccc(OCc4ccccc4)c(OC)c3)c(C)n2)c1 1865760951 YQLCQKUXAVHMPJ-YKQZZPSBSA-N 481.552 5.417 50 10 JKGE N#CSc1ccc(Nc2cc(N3CCN(c4ccccc4)C(=O)C3)nc(-c3ccc(F)cc3)n2)cc1 1868456906 WNQPMVMIKWGZDD-UHFFFAOYSA-N 496.571 5.453 50 10 JKGE CC(C)(C)c1ccc(OCCC/C(O)=C(\C#N)c2nc(-c3ccc(Cl)cc3)cs2)cc1 1872748367 UOGRNAFDEQRHCR-LNVKXUELSA-N 453.007 7.413 50 10 JKGE CCc1cccc(C)c1N1C[C@@H](/C(O)=C(\C#N)c2nc(-c3ccc(OC)c(C)c3C)cs2)CC1=O 1872753715 JRPVEXKNGYBHSK-IHSREPSTSA-N 487.625 6.152 50 10 JKGE CCCCCOc1c(Br)cc(/C=C(\C#N)c2nc(C(C)(C)C)cs2)cc1OC 1872790396 FYDVIAKPACVHEY-MHWRWJLKSA-N 463.441 6.845 50 10 JKGE COc1c(Cl)cc(Cl)cc1-c1csc(/C(C#N)=C/c2ccc(Cl)c(Cl)c2)n1 1872792852 UTSFMEPIOQVDMN-NYYWCZLTSA-N 456.181 7.496 50 10 JKGE CCN(Cc1ccccc1)c1ccc(/C=C(\C#N)c2nc(-c3ccc(OC)cc3OC)cs2)cc1 1872793512 CZTFIRDTEXLVIP-XQNSMLJCSA-N 481.621 6.918 50 10 JKGE N#C/C(=C(/O)Cc1ccc(OCc2ccccc2)cc1)c1nc(-c2cccc(Cl)c2)cs1 1872818176 QBXKIMWYIWJWCY-BZZOAKBMSA-N 458.970 7.078 50 10 JKGE CC(C)(C[C@H](Br)c1sc(Br)cc1Br)C(F)(F)F 1922894775 OFRQWZQQBMYNQT-LURJTMIESA-N 458.963 6.688 50 10 JKGE Cc1cccc(Br)c1[C@H](Cl)c1sc(Br)cc1Br 1922941242 NTKSSODRKPFZKP-NSHDSACASA-N 459.428 6.672 50 10 JKGE COc1ccc(C[C@H](Br)c2sc(Br)cc2Br)cc1 1922945274 DWZXPXPWFUBRCK-JTQLQIEISA-N 455.009 5.960 50 10 JKGE C[C@@H]1C[C@@H]1[C@@H]1C[C@@H]1[C@H](Br)c1c(Br)sc(Br)c1Cl 1923060923 GQGYXLYYXZSZQZ-QZIAOZNMSA-N 463.460 6.655 50 10 JKGE C[C@@H]1CC[C@H](O[C@@]2(CI)CCCN(C(=O)OC(C)(C)C)C2)[C@H](C)C1 1947111278 BUFFGCRNHBJMLF-OAFZBRQQSA-N 451.389 5.032 50 10 JKGE Cc1cc(Br)sc1[C@@H](Br)c1c(Br)sc(C)c1C 1951019372 NYHGQAIIEHQEHK-JTQLQIEISA-N 459.066 6.744 50 10 JKGE Cl[C@H](c1cc(Br)cs1)c1sc(Br)cc1Br 1961678428 LNDMCQLBAXUIQF-MRVPVSSYSA-N 451.430 6.425 50 10 JKGE CC(C)[C@@H]1C[C@@H]1[C@H](Br)c1c(Br)sc(Br)c1Cl 1992944504 LILTZXWAPCATPU-HAFWLYHUSA-N 451.449 6.655 50 10 JKGE BrCc1cc(Br)cc(Br)c1OCC1CC(Br)C1 2020241333 SFTMXPRPEWQOQL-UHFFFAOYSA-N 491.843 5.659 50 10 JKGE BrCc1cc(Br)ccc1N1CC[C@@H]2CN(Cc3ccccc3)C[C@@H]2C1 2049664696 LDJSOUHEGICTSR-IEBWSBKVSA-N 464.245 5.302 50 10 JKGE CN(Cc1ccccc1)[C@H]1CCCCN(c2cccc(Br)c2CBr)C1 2050045763 DGNXGKZJYZXYGO-SFHVURJKSA-N 466.261 5.835 50 10 JKGE Clc1c(Br)sc(Br)c1[C@H](Br)C12CCC(CC1)OC2 2072707325 AVEISEROPUXBCM-HTARLIKDSA-N 479.459 6.322 50 10 JKGE Clc1cc([C@@H](Br)c2cc3sccc3s2)ccc1I 2084760799 WRPJVSHRHHMXHA-CYBMUJFWSA-N 469.594 6.705 50 10 JKGE Fc1cccc([C@H](Br)c2ccc(CC3CC3)s2)c1I 2087646532 XZMQTQFIJCJCLO-AWEZNQCLSA-N 451.142 5.929 50 10 JKGE Cc1cc(Br)c([C@@H](Br)[C@@H]2CCCC23CCC3)cc1Br 2116995279 LUGUEJFWFLXOTE-SWLSCSKDSA-N 451.040 6.926 50 10 JKGE Cc1c(CBr)cc(Cl)cc1S(=O)(=O)N(Cc1ccccc1)CC(F)(F)F 2123270539 XTYUWAMIHNLJND-UHFFFAOYSA-N 470.738 5.297 50 10 JKGE Cc1cc(Br)c(F)c([C@@H](Br)c2ccc(C)c(Br)c2C)c1 2145593973 VPOKUGWAHTUMOZ-HNNXBMFYSA-N 464.998 6.760 50 10 JKGE Cc1ccc(C[C@@H](CBr)Cc2ccc(Br)cc2Br)cc1 2148682923 RDLUWVLKADZJEI-CQSZACIVSA-N 461.035 6.316 50 10 JKGE Cc1cc(CBr)cc(C)c1OCc1cccc(Br)c1Br 2148750300 KNZYVQWSBFTCTG-UHFFFAOYSA-N 463.007 6.302 50 10 JKGE Cc1c(Br)sc([C@@H](Br)[C@@H]2CC3(CCCCC3)CO2)c1Br 2166260752 LGLZAHFAJRSDMC-JQWIXIFHSA-N 487.095 6.757 50 10 JKGE O=C(c1cc(Br)c(Br)s1)N1CCC[C@@H]2CC[C@H](Br)C[C@H]21 2167015504 ZZMHJXJVAHLNLE-WCABBAIRSA-N 486.067 5.441 50 10 JKGE C[C@H](c1cccs1)N(Cc1ccccc1)S(=O)(=O)c1ccc(CBr)cc1F 2179786996 IHHKFTNUIWUVDX-OAHLLOKOSA-N 468.413 5.734 50 10 JKGE COc1cc(F)c([C@@H](Br)c2ccc(C)c(Br)c2)cc1Br 2202904046 MGISAHKWPQZPNC-HNNXBMFYSA-N 466.970 6.152 50 10 JKGE Brc1ccc([C@H](Br)[C@@H]2CCC[C@@H]3CCCC[C@@H]32)c(Br)c1 2203687513 RSGYWYXYGIKTAL-HVOFVXBASA-N 465.067 7.254 50 10 JKGE CC[C@@H](C(C)C)[C@@H](Cl)c1sc(Br)c(Br)c1Br 2212190418 XKDBHRXBLLIKDC-IMTBSYHQSA-N 453.465 6.998 50 10 JKGE Cc1ccc(I)c([C@@H](Br)c2sc(C)cc2Br)c1 2217421325 UHXSYJPVDCDMAD-GFCCVEGCSA-N 486.010 6.216 50 10 JKGE CC(C)[C@@H](CBr)N(Cc1ccccc1)Cc1c(Br)sc2ccccc12 2217924531 UGNQGCFSXZPJRN-LJQANCHMSA-N 481.297 7.086 50 10 JKGE Brc1cc([C@@H](Br)[C@@H]2C[C@H]3CCC[C@H](C3)C2)c(Br)s1 2218345087 BOQUZLVYPXSJMS-WTBMIXGQSA-N 457.069 6.926 50 10 JKGE CC(F)(F)[C@@H]1C[C@H]1[C@H](Br)c1c(Br)cc(Cl)c(Cl)c1Cl 2224304088 FOXYIMXPMKVFJW-OJFKHTATSA-N 457.367 7.137 50 10 JKGE Cc1c(Br)ccc([C@H](Br)[C@@H]2OC[C@@H]3CCC[C@@H]32)c1Br 2224931592 MOEHHJLWPVCLIV-FCIDVOKBSA-N 453.012 5.771 50 10 JKGE ClCCc1nc2cc(Br)c(Br)cc2n1C[C@H]1C[C@H]1Br 2225700635 GPCCDGJSEWNSSN-HTQZYQBOSA-N 471.418 5.126 50 10 JKGE CC(C)(C)OC(=O)N1CCC[C@](CI)(O[C@@H]2CCCC[C@H]2C(F)(F)F)C1 2231401777 YVRWZZVURUNSSU-CKEIUWERSA-N 491.332 5.329 50 10 JKGE O=S1(=O)C[C@H]2[C@@H](C1)[C@@H]2[C@@H](Br)c1c(Br)cc(Cl)c(Cl)c1Cl 2232508762 AUXVOCLTYVIDAQ-CVUZSJFPSA-N 483.436 5.136 50 10 JKGE Clc1cc(Br)c([C@H](Br)C23CCC(CC2)CC3)c(Cl)c1Cl 2232522522 YZESYAVYXDFUNR-MLRNSFOPSA-N 461.452 7.816 50 10 JKGE CC(C)c1ncc2nc([C@H](C)Cl)n(CCCN(Cc3ccccc3)Cc3ccccc3)c2n1 2266529920 IZLPAFJYHKXMFY-NRFANRHFSA-N 462.041 6.342 50 10 JKGE Fc1cccc(I)c1[C@H](Br)c1ccc(CC2CC2)s1 2267664276 XFWHMBPYMRLNOC-OAHLLOKOSA-N 451.142 5.929 50 10 JKGE COc1ccc([C@@H](Br)c2cccc(OCc3ccccc3)c2)c(Br)c1Cl 2268267305 COSOFEXJBFGWQH-IBGZPJMESA-N 496.626 7.174 50 10 JKGE CCc1sc(Br)cc1[C@@H](Br)c1cc(Br)c(F)cc1Cl 2270460851 JLHMKIFQQTUEAN-ZDUSSCGKSA-N 491.445 7.112 50 10 JKGE C[C@@H]1CCCC[C@@H]1[C@@H](Br)c1c(F)cc(Br)c(F)c1Br 2272854021 CRJASKSHJPXUMG-RGNHYFCHSA-N 460.982 6.752 50 10 JKGE ClCCc1nc2cc(Br)c(Br)cc2n1[C@H]1C[C@H](Br)C1 2277861433 CJOXWGMPVBALRX-ZKCHVHJHSA-N 471.418 5.441 50 10 JKGE Fc1cccc(Br)c1[C@H](Cl)Cc1cc(Br)cc(Br)c1 2277963233 RKTCTCWFCNAGOS-GFCCVEGCSA-N 471.389 6.636 50 10 JKGE FC1CC2(C1)CC([C@H](Br)c1c(Br)cc(Cl)c(Cl)c1Cl)C2 2287698750 VFXPWURJAQENPR-URPYPMCZSA-N 465.415 7.374 50 10 JKGE Fc1ccc(Br)cc1[C@H](Cl)c1c(F)cc(Br)c(F)c1Br 2288351479 BZFMMALEFIDVNI-LBPRGKRZSA-N 493.342 6.720 50 10 JKGE BrCc1cc(Br)c(OC[C@@]23CCCC[C@H]2CC3)c(Br)c1 2289158695 SFTXCLWZZARABR-LRDDRELGSA-N 467.039 6.456 50 10 JKGE C=CCc1cc(C=C(C#N)C(=O)OCC)cc(OCC)c1OCc1ccc(Br)cc1 2293757862 OVTMPHGKXZVNJO-UHFFFAOYSA-N 470.363 5.625 50 10 JKGE COc1c(Br)cc(Cl)c(C)c1[C@H](Cl)c1cc(Br)c(C)s1 2295283177 KJMLKBOEHBPDEA-CYBMUJFWSA-N 459.030 6.880 50 10 JKGE CC1(C)C2CCC1([C@H](Br)Cc1cc(Br)cc(Br)c1)CC2 2295343001 QYDIFXAKWCHXBE-YAJUMTOWSA-N 465.067 6.734 50 10 JKGE COc1ccc(C[C@@H]2SC(=C(C#N)C(=O)Nc3ccc(Cl)cc3)N(c3ccccc3)C2=O)cc1 2296507058 REEQEGFJEMWWAH-QHCPKHFHSA-N 489.984 5.414 50 10 JKGE N#CC(=CC=Cc1ccccc1[N+](=O)[O-])c1nc(-c2cc3cc([N+](=O)[O-])ccc3oc2=O)cs1 2296751891 KNDPFQVLMGZPTJ-UHFFFAOYSA-N 472.438 5.353 50 10 JKGE CCc1occc1[C@H](Br)c1ccc(OCc2ccccc2)cc1Br 2299492050 BPWXBIMHLYNKPT-HXUWFJFHSA-N 450.170 6.668 50 10 JKGE C[C@@H]1OCC[C@@H]1C[C@H](Br)c1cc(Br)ccc1OCc1ccccc1 2299505549 XTKAALBDUGBOLY-GMBSWORKSA-N 454.202 6.279 50 10 JKGE Clc1cc(I)c([C@@H](Cl)c2ccc(Br)cc2Cl)s1 2301087237 WAUHIQUHRJMSBA-JTQLQIEISA-N 482.395 6.750 50 10 JKGE N#CC(=Cc1cc(Br)ccc1OCc1ccccc1F)c1ccc([N+](=O)[O-])cc1 2313541024 LGAOYBIOUBMMNI-UHFFFAOYSA-N 453.267 6.140 50 10 JKGE Cc1ccc(C)c(NC(=O)C(C#N)=Cc2c(OC(=O)c3ccc([N+](=O)[O-])cc3)ccc3ccccc23)c1 2313560631 AKPZQRWFLHAUAC-UHFFFAOYSA-N 491.503 6.130 50 10 JKGE Fc1cc(Cl)c(Br)c(Cl)c1[C@@H](Br)c1sccc1Cl 2313742680 HCCSFWHCQAXLQV-SECBINFHSA-N 453.385 7.094 50 10 JKGE CC[C@H]1CC[C@H]([C@@H](Br)c2ccc(OCc3ccccc3)cc2Br)CC1 2314449593 RDSAJNUKFFHZBM-RADWXHQJSA-N 466.257 7.681 50 10 JKGE CCOc1cc(C=C2C(=O)N(CC(C)C)C(=O)C(C#N)=C2C)ccc1OCc1ccc(Cl)cc1 2314610231 FVRUVZNIOHQFFN-UHFFFAOYSA-N 478.976 5.566 50 10 JKGE COc1ccc(CCN2C(=O)C(=Cc3ccc(OCc4ccccc4F)cc3)C(C)=C(C#N)C2=O)cc1 2314620350 NYWGPYCOKZHGNO-UHFFFAOYSA-N 496.538 5.248 50 10 JKGE CO[C@@H]1CC[C@H]1[C@H](Br)c1c(Cl)cc(Br)c(F)c1Br 2315445681 PQHPBMWGBZRIOU-RHFNHBFPSA-N 465.382 5.865 50 10 JKGE C[C@@H]1COC[C@@H]1[C@@H](Br)c1c(Cl)cc(Br)c(F)c1Br 2315445880 QNEBFMABQGPALE-GOZTUDAPSA-N 465.382 5.723 50 10 JKGE CCCc1sc(Br)cc1[C@H](Br)c1nc(C)sc1Br 2316179542 DCMRKSLQEJPHQB-JTQLQIEISA-N 474.081 6.475 50 10 JKGE COc1cc(C=C(C#N)c2cccc(Cl)c2)ccc1OC(=O)C(c1ccccc1)c1ccccc1 2320506604 NAVLROHRMRHJIV-UHFFFAOYSA-N 479.963 7.150 50 10 JKGE Cc1cc(OCc2ccc(CCl)cc2)cc2c1C(=O)C(=Cc1c(Cl)cccc1Cl)O2 2325339829 WTIRDZXAVUZTTB-UHFFFAOYSA-N 459.756 7.236 50 10 JKGE CCOC(=O)c1c(-c2ccc(C)cc2)csc1NC(=O)C(C#N)=Cc1ccc(Br)cc1 2329663832 ZFEOLPMUCREFIN-UHFFFAOYSA-N 495.398 6.208 50 10 JKGE COc1ccc(-c2csc(C(C#N)=C(O)[C@H](CC(C)C)N3C(=O)c4ccccc4C3=O)n2)cc1 2331273720 PDIJKXNBSLCPDZ-QFIPXVFZSA-N 473.554 5.322 50 10 JKGE N#CC(=C(O)c1ccc(N2COc3ccc4ccccc4c3C2)cc1)c1nc(-c2cccs2)cs1 2331326659 OECVHXKVZPOWFH-UHFFFAOYSA-N 493.613 7.331 50 10 JKGE N#CC(=C(O)Cc1ccc(OCc2ccccc2)cc1)c1nc(-c2cc(Cl)ccc2Cl)cs1 2331403795 JVIKIPFXQHAFLV-UHFFFAOYSA-N 493.415 7.731 50 10 JKGE FC1(F)[C@H]2C[C@H]([C@H](Br)c3ccc(Br)cc3Br)CC[C@H]21 2333146938 QSTLUNOGAHISEB-XDRUHAPNSA-N 458.966 6.329 50 10 JKGE Brc1ccc(OCc2ccccc2)c([C@@H](Br)[C@@H]2C[C@H]2C2CCOCC2)c1 2336074311 DXNVXKACTXRSKV-JQVVWYNYSA-N 480.240 6.527 50 10 JKGE Fc1ccc([C@@H](Br)c2c(Cl)cc(Br)c(F)c2Br)cc1 2337112320 CXKDKTIZWQWZAO-LLVKDONJSA-N 475.352 6.628 50 10 JKGE COc1c(C)cc([C@@H](Br)c2cc(Br)sc2Br)cc1Cl 2337659525 HMGBCFRZGIISAH-LLVKDONJSA-N 489.454 6.728 50 10 JKGE CCCc1sc(Br)cc1[C@@H](Cl)c1cc(Br)cc(Br)c1 2338026675 ROYGCYNXNPAKEL-AWEZNQCLSA-N 487.482 7.316 50 10 JKGE Cc1cc(Br)c(F)c(Br)c1[C@@H](Br)[C@@](C)(F)C(C)(C)F 2339655135 CUQRPHWYLTZTET-DGCLKSJQSA-N 466.961 6.571 50 10 JKGE Fc1ccc(OCc2ccc(Cl)cc2I)c(CBr)c1 2340111015 XAQKCBTYFYUQDR-UHFFFAOYSA-N 455.492 5.558 50 10 JKGE CN(CC[C@@H](Br)c1cccs1)c1ncc(Br)cc1Br 2340487463 BOWDODFGJBTNDZ-SNVBAGLBSA-N 469.040 5.631 50 10 JKGE CN(Cc1ccc(I)c(Br)c1)C[C@H](Cl)C1CCCC1 2349838985 FBUDMFXYNWFMRW-AWEZNQCLSA-N 456.593 5.283 50 10 JKGE O=C(c1csc(Br)c1Br)N1CC[C@@H](Br)C[C@@H]1C(F)(F)F 2361458185 XRSULTOLUFIHBG-IYSWYEEDSA-N 499.972 5.204 50 10 JKGE CC1CC2(C1)CC([C@H](Br)c1c(Cl)cc(Br)c(F)c1Br)C2 2362222332 HVBZHMRIJBUNDD-FVBBEJJLSA-N 489.448 7.266 50 10 JKGE FC(F)(F)C12CC([C@H](Cl)c3c(Br)sc(Br)c3Cl)(CO1)C2 2363912293 DTYBZYASOBSRAA-STOUBEHRSA-N 474.951 6.318 50 10 JKGE Cc1cc(Br)c(F)c(Br)c1[C@@H](Br)[C@H]1COCCC1(F)F 2365177656 BYXAKTCATZZEHX-XCBNKYQSSA-N 480.944 5.767 50 10 JKGE COc1ccc([C@H](Br)c2c(C)cc(Br)c(OC)c2Br)s1 2365183822 MCFFMANSSHHFIJ-LBPRGKRZSA-N 485.035 6.083 50 10 JKGE Cc1cc(Br)c(F)c(Br)c1[C@@H](Br)C12CCC(F)(CC1)C2 2365189124 ROWAKCPMUZAPOE-WLYUNCDWSA-N 472.993 6.768 50 10 JKGE COc1c(Br)cc(C)c([C@H](Br)[C@H]2CCO[C@H](C)C2)c1Br 2365192825 DTTUFWGBPLKAGF-GBIKHYSHSA-N 471.027 5.780 50 10 JKGE Cc1cc(Br)c(F)c(Br)c1[C@H](Br)[C@H]1CC[C@H]1C(C)(C)C 2369053014 DWFWOMROFIAYTJ-OPQQBVKSSA-N 471.046 7.167 50 10 JKGE CC(C)(C)[C@@H]1CC[C@@H](Cl)[C@@H](Cc2ccc(I)c(Br)c2)C1 2377293395 YXQOFLSZVJELPH-GZBFAFLISA-N 469.632 6.666 50 10 JKGE Cc1cc(OCc2cc(I)ccc2Cl)cc(C)c1CBr 2380524376 ZMZAMYOSPVNQIC-UHFFFAOYSA-N 465.556 6.035 50 10 JKGE CN(C)/C=N/C1=C(C#N)[C@H](c2ccc(F)cc2)c2c(-c3ccccc3)nn(-c3ccccc3)c2O1 8432887 LYZXHZFKXIOYDD-DMGSHAKESA-N 463.516 5.528 50 10 JKGE Cc1ccc(N2C(=O)[C@H](Cc3cccc(C)c3)S/C2=C(\C#N)C(=O)Nc2ccc(Cl)cc2)cc1 16739798 URISKTODOVRUQR-BSSRNLCFSA-N 488.012 6.022 50 10 JKGE COc1ccc(NC(=O)/C(C#N)=C\c2c(Oc3ccc(Cl)c(C)c3)nc3ccccn3c2=O)cc1 33249090 VTIOCHINBSPJNO-VKAVYKQESA-N 486.915 5.003 50 10 JKGE CCOC(=O)c1c(NC(=O)/C(C#N)=C\c2ccc(OCc3ccccc3)cc2)sc(C)c1C 33768298 ZVQLGJPXRNJANB-STZFKDTASA-N 460.555 5.666 50 10 JKGE CCCCSc1ccc(-c2nn(-c3ccccc3)cc2/C=C(\C#N)C(=O)NCc2ccccc2)cc1 35445922 GETSWSUXEVMVQR-NCELDCMTSA-N 492.648 6.655 50 10 JKGE CC(C)c1ccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4ccc(Cl)cc4Cl)ccc32)cc1 38649463 GJDXDUHASNXGSJ-DEOSSOPVSA-N 479.363 6.554 50 10 JKGE CCCCCOc1ccc(C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@@H]3c2ccc(OC)cc2)cc1 38650345 XVEAAISNUGYNDJ-HHHXNRCGSA-N 484.552 5.702 50 10 JKGE CCCCOc1ccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)Cc4ccccc4)ccc32)cc1 38650883 RRUXHYSDPYIVBV-HHHXNRCGSA-N 454.526 5.232 50 10 JKGE CC(C)CCOc1cccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4ccccc4Cl)ccc32)c1 38684626 UMOXETQYAQTJOY-SANMLTNESA-N 488.971 6.202 50 10 JKGE CCCCC1CCC(C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@@H]3c2ccccc2OCC)CC1 38687468 ZLEXMMWMOZLHPH-HRYTWTRCSA-N 474.601 6.205 50 10 JKGE CCc1ccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4oc5cc(C)c(Cl)cc5c4C)ccc32)cc1 38700454 SAPRJBWWXMJIGW-SANMLTNESA-N 498.966 6.703 50 10 JKGE CCOc1ccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4oc5ccccc5c4C)ccc32)cc1 38701365 IZBNKIIIAOOEPS-VWLOTQADSA-N 466.493 5.577 50 10 JKGE C=CCOc1cccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4cccc5ccccc45)ccc32)c1 40529887 DOCVIVHTQODKIT-NDEPHWFRSA-N 474.516 5.842 50 10 JKGE Cc1c(C(=O)Nc2cc(Cl)ccc2Cl)oc2c1/C(=N/NC(=O)c1ccc(F)cc1)CCC2 40811928 KOFTWKGGUOTBQZ-OGLMXYFKSA-N 474.319 5.757 50 10 JKGE COc1cccc(NC(=O)c2oc3c(c2C)/C(=N/NC(=O)c2ccccc2Br)CCC3)c1 40812852 QYDWTNISYLJCLQ-ZXVVBBHZSA-N 496.361 5.082 50 10 JKGE Cc1c(C(=O)N2CCCCCC2)oc2c1/C(=N/NC(=O)c1ccc(-c3ccccc3)cc1)CCC2 40822680 VEHFBZJYPXSRNQ-BGABXYSRSA-N 469.585 5.742 50 10 JKGE CCOc1ccc(NC(=O)/C(C#N)=C/c2ccc(-c3ccc(Br)c(C)c3)o2)cc1 58832696 FZSBIZHGPZPJCW-GHRIWEEISA-N 451.320 5.962 50 10 JKGE CCOc1ccc([C@@H](O)CCC(=O)N/N=C\c2cc(C)n(-c3ccccc3Br)c2C)cc1 58894374 CEYFPUQNRCVOEW-GJVLPJBHSA-N 498.421 5.219 50 10 JKGE COc1c(C(=O)N/N=C2\C(=O)N(C/C=C/c3ccccc3)c3ccccc32)ccc2ccccc12 59158929 ZGBOOZINGVKDDJ-ODXSWAAMSA-N 461.521 5.043 50 10 JKGE Cc1ccc(/C(CSc2nc3ccccc3s2)=N\NC(=O)c2cccc(Cl)c2)c(C)c1 59460696 YBJBTBXQJVGQME-MEFGMAGPSA-N 466.031 6.493 50 10 JKGE N#C/C(=C\c1cc(Br)ccc1OCc1ccc(F)cc1)c1ccc([N+](=O)[O-])cc1 59536139 HBVLPYFLZOPNPI-WOJGMQOQSA-N 453.267 6.140 50 10 JKGE Brc1ccc([C@@H](Br)c2cccc(I)c2)s1 71103067 OLAWGSRKSWYJOR-NSHDSACASA-N 457.956 5.600 50 10 JKGE CC1=C(C#N)C(=O)N(C2CCCC2)C(=O)/C1=C/c1cn(-c2ccccc2)nc1-c1ccc(F)cc1 101338532 QARUEDCISOTTLV-BUVRLJJBSA-N 466.516 5.213 50 10 JKGE CCOc1ccc(NC(=O)/C(C#N)=C\c2c(Oc3cccc(C)c3)nc3c(C)cccn3c2=O)cc1 102683294 CKRCOLHOFLCIOY-SILNSSARSA-N 480.524 5.048 50 10 JKGE CCOC(=O)c1c(N/C=C(\C#N)c2nc(-c3ccc(C)c(C)c3)cs2)sc(C(=O)OC)c1C 102924477 DYQWCYMXJKLKIL-GZTJUZNOSA-N 481.599 5.737 50 10 JKGE COc1cc(/C=C(/C#N)C(=O)Nc2ncc(Cc3ccc(C)cc3)s2)ccc1OCc1ccccc1 102966119 FJWDFGZYTHCCDR-OYKKKHCWSA-N 495.604 6.176 50 10 JKGE COc1cc(C)c(Br)cc1[C@H](Br)c1cccc(F)c1Br 156124600 RRHYYLPBUCPLLD-CQSZACIVSA-N 466.970 6.152 50 10 JKGE O=C(NC1(CBr)CCCCC1)c1cc(Br)ccc1Br 161223736 ARDPCSBSPFTIGQ-UHFFFAOYSA-N 454.000 5.039 50 10 JKGE CC1=C(/C=C/C(C)=C/C=C/C(C)=C/C=O)C(C)(C)CC[C@H]1OC(=O)/C=C/CCCCCCCO 201289898 SWZYVFQHDUIVRB-VTDRFNFOSA-N 468.678 7.128 50 10 JKGE CCCOc1ccccc1[C@H]1C(C#N)=C(N)Oc2cc(OC(=O)/C=C\c3ccccc3)ccc21 205654616 MZDZARALMLSJBM-SLXWYTGMSA-N 452.510 5.312 50 10 JKGE CCCCCCOc1ccc(/C=C(/C#N)C(=O)Oc2cccc(/C=C(\C#N)C(=O)OC)c2)cc1OC 206694726 RNXLKCUKJIEMQU-VQIPHFLVSA-N 488.540 5.247 50 10 JKGE CCOc1cc(/C=C2\C(=O)N([C@@H](C)CC)C(=O)C(C#N)=C2C)ccc1OCc1ccc(F)cc1 214269291 HVHDGUBVDQZCCB-RIWZNOJBSA-N 462.521 5.194 50 10 JKGE CC(C)c1ccccc1N/C=C(/C#N)C(=O)N1CCN(C(c2ccccc2)c2ccccc2)CC1 216487065 RYXLJUYEGYAOGC-ROMGYVFFSA-N 464.613 5.563 50 10 JKGE Cc1cc(F)cc(C)c1[C@@H](Br)c1cc(Br)c(Br)s1 235760194 UGBMCYRSGWVFQU-LBPRGKRZSA-N 457.000 6.513 50 10 JKGE Fc1cccc(C[C@@H](Br)c2cc(Br)cc(Br)c2)c1F 236201146 QMUIQRZBEOVKQQ-GFCCVEGCSA-N 454.934 6.169 50 10 JKGE CCCCCCCCCCCCCCCCCC(=O)NN=C[C@@](C=C=C(C)C)(CC)CCCC 254492217 GPSJXJPDOXTYTG-HKBQPEDESA-N 474.818 10.058 50 10 JKGE COc1ccccc1/C=C/C=NNC(=O)c1cc(-c2ccccc2OCc2ccccc2)n[nH]1 254851313 KKMSNJGOAMWJCI-SBLSZQMKSA-N 452.514 5.093 50 10 JKGE CC1(C)[C@@H](Cl)C[C@@H]1Oc1c(I)cc(Cl)cc1I 310443185 XKDIFACOHUOQLC-UWVGGRQHSA-N 496.941 5.334 50 10 JKGE C[C@H](Cl)c1nc2cc(I)c(F)cc2n1CCOCc1ccccc1 389946489 OFRQLEBGCUBFPK-LBPRGKRZSA-N 458.702 5.297 50 10 JKGE COc1ccc([C@H](Br)c2cscc2Br)c(OC)c1Br 404765242 LUXLVLSCZPWGHU-NSHDSACASA-N 471.008 5.775 50 10 JKGE CC(C)(C)OC(=O)Nc1ccccc1[C@H]1Cc2ccccc2N(CCO[Si](C)(C)C(C)(C)C)C1 616673146 WJJJEBFWUKXAJD-QFIPXVFZSA-N 482.741 7.202 50 10 JKGE Fc1ccc([C@H](Cl)c2ccc(F)c(Br)c2F)c(I)c1 691539177 IMDNGDDXLQFKNW-LBPRGKRZSA-N 461.446 5.799 50 10 JKGE CCOc1cc(C=NNC(=O)CNc2ccccc2)ccc1OCc1cccc2ccccc12 1084315589 FUOMLGQVNBTOTH-UHFFFAOYSA-N 453.542 5.380 50 10 JKGE CC(C)(C)N(NC(=O)Nc1cc(F)c(F)cc1F)C(=O)c1cc(Cl)cc(OC(F)(F)F)c1 1088698771 ZGGLIJXWBJVGQY-UHFFFAOYSA-N 483.796 5.633 50 10 JKGE Cc1c(C(=O)Nc2ccc(F)cc2F)oc2c1C(=NNC(=O)c1cccc3ccccc13)CCC2 1772748168 OBMDIHHBAUYHEZ-UHFFFAOYSA-N 473.479 5.742 50 10 JKGE COc1ccc([C@H]2C(C#N)=C(N)Oc3c2c(-c2ccccc2)nn3-c2cccc3ccccc23)cc1O 1865682367 MXZSCQZBYYMFGM-SANMLTNESA-N 486.531 5.625 50 10 JKGE CCCc1nn(Cc2ccc(C)cc2)c2c1[C@H](c1ccc(Cl)c(Cl)c1)C(C#N)=C(N)O2 1865685921 PBNJIEKZMNFNIA-OAQYLSRUSA-N 453.373 5.717 50 10 JKGE CCc1nn(Cc2cccc(F)c2)c2c1[C@H](c1c(OC)ccc3ccccc13)C(C#N)=C(N)O2 1865688632 XNOHFHXVWDSPJG-DEOSSOPVSA-N 454.505 5.013 50 10 JKGE CCOc1ccc([C@@H]2C(C#N)=C(N)Oc3c2c(-c2ccccc2)nn3Cc2ccccc2F)cc1OC 1865695016 HWYVPTMDPMRUKM-RUZDIDTESA-N 496.542 5.363 50 10 JKGE CCC[C@H](NC(=O)C[C@H](c1ccc(OC)c(C)c1)C(C)C)C(=O)Nc1ccc(SC#N)cc1 1866773961 DBMUUNWOMSRVOF-GOTSBHOMSA-N 467.635 5.630 50 10 JKGE Cc1ccc(-c2nc(Nc3ccc(SC#N)cc3)cc(N3CCc4nc[nH]c4[C@H]3C(C)C)n2)cc1 1868320168 DQIGWKXSQYQHBP-AREMUKBSSA-N 481.629 6.252 50 10 JKGE C[C@@H]1Cc2ccccc2N(c2cc(Nc3ccc(SC#N)cc3)nc(-c3ccc(F)cc3)n2)C1 1868455785 BUBGRNPRYGXESX-GOSISDBHSA-N 467.573 6.930 50 10 JKGE Cc1ccc(C)c(-c2csc(/C(C#N)=C(\O)c3ccc(N4C(=O)c5ccccc5C4=O)cc3)n2)c1 1872750027 SZQVRASPDNITKR-BZZOAKBMSA-N 477.545 6.177 50 10 JKGE COc1ccc(OCCC/C(O)=C(\C#N)c2nc(-c3cc(C(C)(C)C)ccc3OC)cs2)cc1 1872751862 XMXICGFTJPWXSC-GYHWCHFESA-N 478.614 6.777 50 10 JKGE N#C/C(=C(O)\C(=C/c1ccccc1)c1ccccc1)c1nc(-c2cccc3ccccc23)cs1 1872752109 NUAJSCKLBZMJNP-YZBZFOJLSA-N 456.570 7.997 50 10 JKGE CC(C)(C)c1ccc(/C(O)=C(\C#N)c2nc(-c3ccc(Oc4ccccc4)cc3)cs2)cc1 1872753682 IRPUZUAHFXUJLW-LCUIJRPUSA-N 452.579 7.850 50 10 JKGE CCc1ccc(OCCC/C(O)=C(\C#N)c2nc(-c3ccc(C)c(C)c3)cs2)c(Br)c1 1872756482 LZBJGZLWUMTJQK-ATJXCDBQSA-N 497.458 7.404 50 10 JKGE CCCCCCCOc1ccc(-c2csc(/C(C#N)=C/c3c(Cl)cccc3Cl)n2)cc1 1872791407 IGKSATLHQOGOQP-XDJHFCHBSA-N 471.453 8.530 50 10 JKGE CC(C)(C)OC(=O)N[C@@H](CBr)Cc1cc(Br)ccc1Br 1882087647 LIYGVARQCHXSCK-LLVKDONJSA-N 472.015 5.042 50 10 JKGE BrC[C@H](C1CC1)N(Cc1ccccc1)c1ncc(Br)c2ccsc12 1915188203 WNNOHVCYZWTWKW-QGZVFWFLSA-N 466.242 6.239 50 10 JKGE Brc1cc(Br)c([C@@H](Br)c2cc3c(s2)CCC3)s1 1922935544 QUBAJBPCBGFUHB-NSHDSACASA-N 457.050 6.308 50 10 JKGE O=[N+]([O-])c1ccc([C@@H](Br)c2c(Br)sc(Br)c2Cl)o1 1923038214 HZGSQVNKHTWRQQ-ZCFIWIBFSA-N 480.359 5.912 50 10 JKGE CC1(C)C(C)(C)C1(C)[C@H](Br)c1c(Br)sc(Br)c1Cl 1923065359 BHLKSQVYRKHNJY-MRVPVSSYSA-N 479.503 7.435 50 10 JKGE COc1ccc([C@@H](Br)c2c(Cl)sc(Br)c2Cl)cc1OC 1925601951 YIPIZFNZEPOBTG-SNVBAGLBSA-N 461.002 6.319 50 10 JKGE CC1(C)CC[C@@H](Br)[C@@H](CNC(=O)c2cc(Br)sc2Br)C1 1927049836 JQNDZHWUPFBONH-PSASIEDQSA-N 488.083 5.593 50 10 JKGE CC1(C)CC[C@@H](Br)[C@H](CNC(=O)c2cc(Br)sc2Br)C1 1927049841 JQNDZHWUPFBONH-WCBMZHEXSA-N 488.083 5.593 50 10 JKGE Cc1c(Br)sc([C@@H](Br)[C@@H]2C[C@H]2C(F)(F)F)c1Br 1950753234 BEOIHXMMSJMTNG-XAHCXIQSSA-N 456.947 6.216 50 10 JKGE CCC(C)(CC)[C@H](Cl)c1c(Br)sc(Br)c1Br 1985606635 YUBCRBCYVMGOHL-MRVPVSSYSA-N 453.465 7.142 50 10 JKGE Brc1ccc([C@H](Br)c2ncsc2Br)c(Br)c1 1994122694 PGYKIKIPQSLOCI-QMMMGPOBSA-N 490.840 5.915 50 10 JKGE Brc1ccc([C@@H](Br)c2cc(Br)sn2)c(Br)c1 1994134353 CAOOGGLNOKVCJG-SNVBAGLBSA-N 490.840 5.915 50 10 JKGE Clc1c(Br)sc(Br)c1[C@@H](Br)C12CCC(CC1)O2 2017156418 IHBJLZQSTGAAPC-GBZMYTLWSA-N 465.432 6.074 50 10 JKGE Fc1cc(Cl)c(Br)cc1[C@@H](Br)c1cccc(OCc2ccccc2)c1 2036577998 MVFOEWWZOYMTFI-FQEVSTJZSA-N 484.590 7.305 50 10 JKGE CC(C)(C)[Si](C)(C)OC[C@@H]1O[C@H](n2cnc3c(N)ncnc32)C[C@@H]1O[Si](C)(C)C(C)(C)C 2037504699 JEDIATUHRBNRLS-ULQDDVLXSA-N 479.774 5.108 50 10 JKGE Cc1c(Cl)cccc1NC(SCC(=O)N1CCCCCC1)=C(C#N)c1nc2ccccc2s1 2040467098 WYRANNNISHRCLQ-UHFFFAOYSA-N 497.089 6.698 50 10 JKGE Cc1cc(Br)c([C@@H](Br)c2cc(Cl)c(C)c(Br)c2)s1 2048504161 SYXUQMBSPKEFHM-LBPRGKRZSA-N 473.455 7.028 50 10 JKGE CC1(C)OCCO[C@@H]1[C@@H](Cl)c1c(Br)sc(Br)c1Br 2066675569 UWBGMFFNAVFLKA-JGVFFNPUSA-N 483.447 5.510 50 10 JKGE Fc1cc(Cn2nc(CBr)c(Br)c2C(F)(F)F)cc(C(F)(F)F)c1 2079232588 ZTKPYXBPBVPZSA-UHFFFAOYSA-N 484.007 5.766 50 10 JKGE Cc1cc(Br)c([C@H](Br)[C@H]2CC3(CCC3)CO2)cc1Br 2110158841 UAIVSKSGYMKUFP-KGLIPLIRSA-N 453.012 5.915 50 10 JKGE Clc1ccc(C[C@H](CBr)c2ccccc2Br)cc1Br 2110526468 PCLSBINJSKHOTO-LLVKDONJSA-N 467.426 6.586 50 10 JKGE Clc1nsc(CC(CBr)(CBr)C2CCOCC2)c1Cl 2110935260 RZLGPRQDKIRBJE-UHFFFAOYSA-N 452.039 5.195 50 10 JKGE CC(C)(C)[C@H](C[C@H](Br)c1cc(Br)ccc1Br)C(F)F 2111377276 OGOYONIMDRXKPY-PWSUYJOCSA-N 462.998 6.965 50 10 JKGE Fc1cccc([C@H](Br)Cc2cccc(Cl)c2F)c1I 2113466474 SECGUYDNRXAXBC-SNVBAGLBSA-N 457.483 5.902 50 10 JKGE C[C@@H]1CN(C(=O)c2scc(Br)c2Br)CC[C@H]1CCBr 2115836923 PCRLYZJPDPVFJW-RKDXNWHRSA-N 474.056 5.156 50 10 JKGE BrCc1cc(Br)cc(Br)c1OCCOCCC1CC1 2127782089 SHQVOKJBRXNEGA-UHFFFAOYSA-N 457.000 5.302 50 10 JKGE COc1c(Br)cc(C)cc1[C@@H](Br)c1ccc(I)cc1 2138999464 FBKQDXCTRXNHEC-AWEZNQCLSA-N 495.980 5.855 50 10 JKGE COCC12CC([C@@H](Br)c3c(Br)sc(Br)c3Cl)(CO1)C2 2141163510 IOXPUNSMBKDJKB-RKWZHAFESA-N 495.458 5.558 50 10 JKGE Cc1cc(Br)c(F)c([C@H](Br)c2ccc(F)c(Br)c2F)c1 2145592957 GRLTUBJOELEESZ-LLVKDONJSA-N 472.924 6.422 50 10 JKGE COc1cc(Br)c(C)cc1[C@@H](Br)c1cccc(Br)c1Cl 2145957493 PZNSHZDIWXDDMX-AWEZNQCLSA-N 483.425 6.666 50 10 JKGE COc1cc(Br)c(C)cc1[C@H](Cl)c1cccc(C)c1I 2145957891 RRWFWNJZLNVCHH-OAHLLOKOSA-N 465.556 6.007 50 10 JKGE Brc1cc([C@@H](Br)Cc2cc3ccccc3cn2)c(Br)s1 2151356951 PQLPNNOJGQDHFJ-ZDUSSCGKSA-N 476.031 6.500 50 10 JKGE Fc1cc(Cl)c(Br)cc1[C@H](Br)C(C(F)(F)F)C(F)(F)F 2154122611 PBUZHZBCAWCLRR-ZETCQYMHSA-N 452.389 6.418 50 10 JKGE C[C@@H](Cl)c1nc2cc(Br)c(Cl)cc2n1[C@H]1[C@@H]2CN(Cc3ccccc3)C[C@@H]21 2160084022 OXXGJAJNFYMHCM-AUKZQPGHSA-N 465.222 6.055 50 10 JKGE CC(C)(C)OC(=O)NC1CC(C[S@](C)(=O)=NCCCCCCCCCBr)C1 2172246714 JSHSYIIZNLBVFH-ZQDGVCNQSA-N 467.514 5.513 50 10 JKGE CC(C)[C@@H](C)N(Cc1ccccc1)S(=O)(=O)c1ccc(OCCCBr)cc1 2179829211 YIDWCUKGUNCAPW-GOSISDBHSA-N 454.430 5.086 50 10 JKGE CC(C)c1nnc(COc2c(Br)cc(CBr)cc2Br)s1 2186503413 JPFWJLLCKBFWQZ-UHFFFAOYSA-N 485.039 5.660 50 10 JKGE FC(F)(F)[C@H]1OC2([C@@H](Cl)c3c(Br)sc(Br)c3Cl)CC1C2 2193091107 IFWNOBNTCPJTQY-FHQKJZPWSA-N 474.951 6.316 50 10 JKGE Clc1cccc([C@@H](CI)OCc2cc(Cl)ccc2Br)c1 2200750387 HEMAWYCAQLSPDO-OAHLLOKOSA-N 485.974 6.449 50 10 JKGE Cc1cc(Br)c(C)c([C@@H](Cl)c2cc3cscc3s2)c1Br 2201071168 DSZMHFZCCZZKJO-HNNXBMFYSA-N 450.648 7.433 50 10 JKGE Cc1cc(Br)c(C)c([C@H](Cl)c2ccc(Br)c(F)c2)c1Br 2201077321 HUJVQXQNSCMVLA-OAHLLOKOSA-N 485.416 7.058 50 10 JKGE CN(Cc1ccc(I)c(Cl)c1)C[C@H](Br)C1CCCCC1 2208035365 DNFFOVMTBRCJIX-AWEZNQCLSA-N 470.620 5.720 50 10 JKGE C[C@H](Cl)c1nc2c(F)cc(Br)cc2n1CC[C@@H](C)N(C)Cc1ccccc1 2232914824 BFJRDIBNRPNYBH-CABCVRRESA-N 452.799 6.148 50 10 JKGE Cc1c(Br)csc1[C@H](Br)c1cc(Br)c2c(c1)C[C@H](C)O2 2234516017 YEHBLSDHWAMLHR-WPPNPWJKSA-N 481.047 6.389 50 10 JKGE Cc1nn(C)c(Br)c1[C@@H](Br)c1c(F)cc(F)c(Br)c1F 2236115812 XFMFEEDJGIYBAI-SNVBAGLBSA-N 476.916 5.155 50 10 JKGE Brc1ccc([C@@H](Br)Cc2cnsc2)c(I)c1 2242934592 BNYWQXNFVLEHEQ-JTQLQIEISA-N 472.971 5.189 50 10 JKGE Brc1cc(Br)cc(C[C@H](Br)c2occc2Br)c1 2252839836 UUIHARNYHZADLS-NSHDSACASA-N 487.811 6.246 50 10 JKGE CC1([C@@H](Br)c2cc(Br)sc2Br)CC(C(F)(F)F)C1 2253657077 XSUMPLCKHWFHLN-KSHCCYOPSA-N 470.974 6.688 50 10 JKGE CCc1cc([C@H](Br)c2sc(C)c(C)c2Br)sc1Br 2255979277 KZFTUPBFKPDNPO-NSHDSACASA-N 473.093 6.998 50 10 JKGE Fc1cc(Br)c(F)c(Br)c1[C@H](Br)c1cscc1Cl 2259994279 FFAIFROEJMPNGU-SECBINFHSA-N 481.381 6.689 50 10 JKGE Fc1cccc(I)c1[C@@H](Br)Cc1cccc(Cl)c1F 2267649166 AJPHPNGRYNGHOX-VIFPVBQESA-N 457.483 5.902 50 10 JKGE Cc1cc(Cl)c([C@@H](Br)c2c(F)cccc2I)cc1C 2267741237 SCHIOYGOHJFLEB-OAHLLOKOSA-N 453.520 6.185 50 10 JKGE COc1ccc(Br)cc1[C@@H](Cl)c1ccc(Cl)c(I)c1 2268280040 TZGNVXPDGOFZSF-AWEZNQCLSA-N 471.947 6.044 50 10 JKGE COc1ccc([C@H](Br)c2cccc(F)c2Br)cc1I 2269550389 ZJFXQUGBGQPZRL-ZDUSSCGKSA-N 499.943 5.686 50 10 JKGE CC12CC([C@@H](Br)c3c(F)cc(Br)c(F)c3Br)(CO1)C2 2272839783 GYWHDULJCRUPHH-HIFPTAJRSA-N 460.938 5.495 50 10 JKGE C=CC[C@@]1(CBr)CCCN(Cc2cc(Br)ccc2Br)C1 2287735343 MDVHFKYSINUJJA-INIZCTEOSA-N 466.055 5.765 50 10 JKGE CCCCCOc1ccc(C=C(C#N)C(=O)Nc2ncc(Cc3ccccc3Cl)s2)cc1OC 2293039124 FLNRIIFIERPCNE-UHFFFAOYSA-N 496.032 6.511 50 10 JKGE COc1c(Br)cc(Cl)cc1[C@@H](Cl)c1c(Br)sc(C)c1C 2295377355 DIDSOLCHQWHDSO-GFCCVEGCSA-N 459.030 6.880 50 10 JKGE CCOC(=O)c1c(NC=C(C#N)c2nc(-c3cccs3)cs2)sc(C(=O)OC)c1C 2296790121 PVZIIQZKMZEVHU-UHFFFAOYSA-N 459.574 5.181 50 10 JKGE N#CC(=Cc1ccc([N+](=O)[O-])cc1)C(=O)N1N=C2C(=Cc3ccccc3)CCC[C@H]2[C@@H]1c1ccccc1 2297021090 MYIRVKFXDUJNEP-PXJZQJOASA-N 488.547 6.325 50 10 JKGE COc1ccc(C(=CC=C(C#N)C#N)Sc2c(Cl)c(Cl)nc(Cl)c2Cl)cc1 2297535101 FUBAYPNQEFQCFC-UHFFFAOYSA-N 457.169 6.811 50 10 JKGE CC[C@@H]1CC[C@@H]([C@H](Br)c2cc(Br)ccc2OCc2ccccc2)O1 2299492742 DHNJTLXIWMTERJ-LSTHTHJFSA-N 454.202 6.422 50 10 JKGE CC1(C)CC[C@]1(CBr)Cc1ccc(I)c(Br)c1 2306228275 QUQFWTIAEMUBPC-CQSZACIVSA-N 472.002 5.798 50 10 JKGE BrCCCCCCOCc1ccc(I)c(Br)c1 2306304869 MFYJLJBDYCBLMZ-UHFFFAOYSA-N 475.990 5.526 50 10 JKGE CCOc1cc(C=C(C#N)C(=O)Nc2cccc(C(F)(F)F)c2)ccc1OCc1ccc(C)cc1 2313724572 JPVCLMALTIGFNL-UHFFFAOYSA-N 480.486 6.537 50 10 JKGE Cc1cccc(NC(=O)C(C#N)=C2S[C@H](Cc3ccccc3C)C(=O)N2c2ccc(C(C)C)cc2)c1 2314592134 MKLDUJFKZAJQSK-HHHXNRCGSA-N 495.648 6.492 50 10 JKGE CCCOc1ccc(C=C(C#N)C(=O)Nc2sc3c(c2C(=O)OCC)CC[C@H](C)C3)cc1 2314736439 JFALBQJVGVHJCK-INIZCTEOSA-N 452.576 5.384 50 10 JKGE Fc1c(Br)cc(Cl)c([C@H](Br)C(F)(F)C2CC2)c1Br 2315461285 RWTIZKGSSLPROJ-JTQLQIEISA-N 471.336 6.485 50 10 JKGE COC[C@@H]1C[C@@H]1[C@@H](Br)c1c(Cl)cc(Br)c(F)c1Br 2315463634 SPBAXEIJTINGED-JFWOZONXSA-N 465.382 5.723 50 10 JKGE Cn1cnc2sc([C@@H](Br)c3sc(Cl)cc3I)cc21 2316604989 DODXHSURWPIJFP-SECBINFHSA-N 473.586 5.439 50 10 JKGE COc1cc([C@@H](Cl)c2sc(Br)c(C)c2Br)sc1Cl 2317958225 WMWKSBGGYQQCEV-MRVPVSSYSA-N 451.032 6.633 50 10 JKGE CCCCCCCCCOc1ccc(C=C(C#N)c2nc3ccccc3n2CC)cc1Cl 2323839836 GGRWGXLSMZEIMT-UHFFFAOYSA-N 450.026 7.903 50 10 JKGE O=C(NN=C1C(=O)N(Cc2ccccc2Cl)c2ccccc21)c1cc(Cl)cc(Cl)c1 2326843810 OPNPZOBZEHTXMG-UHFFFAOYSA-N 458.732 5.328 50 10 JKGE CC(C)[C@H](C(O)=C(C#N)c1nc(-c2ccc3c(c2)CCCC3)cs1)N1C(=O)c2ccccc2C1=O 2331240109 REEZGYSBOGTPCY-XMMPIXPASA-N 483.593 5.802 50 10 JKGE COc1ccc(-c2csc(C(C#N)=C(O)c3ccc4c(c3)C(=O)N(Cc3ccco3)C4=O)n2)cc1 2331276581 RQSORJBRYAXLOM-UHFFFAOYSA-N 483.505 5.158 50 10 JKGE COc1cc(C)c(-c2csc(C(C#N)=C(O)c3ccc(-c4ccccc4)cc3)n2)cc1C(C)C 2331352170 MYOWBSXEMCFLKM-UHFFFAOYSA-N 466.606 7.867 50 10 JKGE COc1ccc(-c2csc(C(C#N)=C(O)COc3ccc(Cl)cc3Cl)n2)c(C)c1C 2331362212 JNGZUEAKHQCPGY-UHFFFAOYSA-N 461.370 6.614 50 10 JKGE CCOc1ccc(C=CC(O)=C(C#N)c2nc(-c3ccc(OCC)cc3OCC)cs2)cc1 2331386563 NDBHPTCVXLHTFT-UHFFFAOYSA-N 462.571 6.512 50 10 JKGE CCCCCOc1ccc(C=C(C#N)c2nc(-c3ccc(CCCC)cc3)cs2)cc1OC 2331429303 MMQQCIMTMJATQH-UHFFFAOYSA-N 460.643 7.794 50 10 JKGE CCOc1ccc(-c2csc(C(C#N)=Cc3cc(OC)c(OC)c(OC)c3)n2)c(OCC)c1 2331473599 MEWLQUQRUKQKBH-UHFFFAOYSA-N 466.559 5.697 50 10 JKGE Fc1cc(Cl)c(Br)c(Cl)c1[C@@H](Br)C(F)(F)C(F)(F)F 2335290158 NXKWZHPMYBPBNG-SSDOTTSWSA-N 454.817 6.529 50 10 JKGE CCCc1sc(Br)cc1[C@H](Br)c1c(Br)nn(C)c1C 2338030448 AMWLJRNSXBUEHP-LBPRGKRZSA-N 471.056 5.752 50 10 JKGE FC1(F)C[C@]12CCC[C@@H]([C@H](Br)c1sc(Cl)cc1I)C2 2338560484 LXRZNESHHWQBKR-INNHCVQGSA-N 481.571 6.658 50 10 JKGE CC1(C)CC(CBr)(COCc2c(Br)cccc2Br)C1 2344995734 ZFRVHYYQWMYDDP-UHFFFAOYSA-N 455.028 5.930 50 10 JKGE Cc1ccc(OCc2ccc(I)c(Br)c2)c(CBr)n1 2349803961 OVOYROHUQHXSKH-UHFFFAOYSA-N 496.968 5.231 50 10 JKGE Fc1cccc(CCl)c1OCc1ccc(I)c(Br)c1 2349804524 SGOFSANSWYPBJX-UHFFFAOYSA-N 455.492 5.511 50 10 JKGE Clc1ccc(I)cc1CO[C@H]1C[C@@H](Br)C12CCCC2 2352248748 UGIHFEWSDODKER-KGLIPLIRSA-N 455.561 5.557 50 10 JKGE FC1(F)CCC2(CC1)C[C@H]2[C@@H](Cl)c1ccc(OCc2ccccc2)cc1Br 2361168256 KBTSXYVFAPNTNC-ICSRJNTNSA-N 455.770 7.524 50 10 JKGE CC1(C)CO[C@@H](C[C@H](Br)c2c(Cl)cc(Br)c(F)c2Br)C1 2362225537 QHPLICHXYQCQAQ-YUMQZZPRSA-N 493.436 6.645 50 10 JKGE CCCN[C@H](c1c(Cl)cc(Br)c(F)c1Br)C1CC(Br)C1 2362250992 HUXSFTNWEAUIAA-RAPRUERJSA-N 492.452 6.218 50 10 JKGE Cc1cc(Br)c(F)c(Br)c1[C@H](Br)[C@@H]1CCC[C@@H]1C(C)C 2365191905 SHTJZFPUYIRQAI-JTNHKYCSSA-N 471.046 7.167 50 10 JKGE Cc1cc(Br)c(F)c(Br)c1[C@@H](Br)Cc1ccccc1F 2365216695 XAPPOQZOFYPLHL-JTQLQIEISA-N 468.961 6.477 50 10 JKGE Cc1cc(Br)c(F)c(Br)c1[C@@H](Br)c1sc(C)c(C)c1C 2365228379 OZSKNWURRZURMU-CYBMUJFWSA-N 485.054 7.130 50 10 JKGE CC(C)[C@H](Br)C(C)(C)CNC(=O)c1ccc(I)c(Cl)c1 2365855974 JWYTZVQBZCYUHR-ZDUSSCGKSA-N 472.592 5.120 50 10 JKGE CCOc1ccc([C@H](Br)c2ccc(F)cc2I)c(F)c1 2367462274 XCBQRTFAROZYJO-HNNXBMFYSA-N 453.064 5.452 50 10 JKGE Cc1cc(Br)ccc1OCC(=O)NNC(=O)N1c2ccccc2Sc2ccccc21 13988914 XWIBZTAOMCWRQU-UHFFFAOYSA-N 484.375 5.180 50 10 JKGE CCCCOc1ccccc1C(=O)NNC(=O)c1ccc(NC(=O)c2ccc(C(C)(C)C)cc2)cc1 14032111 SIJUKWQLXQCQJQ-UHFFFAOYSA-N 487.600 5.490 50 10 JKGE O=C(N/N=C/c1cccc(Br)c1)C(Oc1ccc(Cl)cc1)Oc1ccc(Cl)cc1 20436746 WEBIKHUJJKKKHI-DHRITJCHSA-N 494.172 5.690 50 10 JKGE CCCOc1ccc(/C=C(/C#N)C(=O)Nc2nc(-c3ccc(Br)cc3)cs2)cc1 33378332 TVWIPGSVMYAQMG-ATVHPVEESA-N 468.376 5.907 50 10 JKGE N#C/C(=C\c1ccc(Br)cc1)c1nc(-c2ccc(Oc3ccccc3)cc2)cs1 33540426 HYESVTLRRKDQGN-XMHGGMMESA-N 459.368 7.429 50 10 JKGE CCCOc1ccc(/C=C(/C#N)C(=O)Nc2scc(-c3ccc(CC)cc3)c2C(=O)OCC)cc1 35123606 BMTWDZSUXSGFNU-JWGURIENSA-N 488.609 6.489 50 10 JKGE CCCCOc1cccc(C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@H]3c2ccc(C(C)(C)C)cc2)c1 38649840 WKVSGFJWVXAQGV-NDEPHWFRSA-N 496.607 6.600 50 10 JKGE N#CC1=C(N)Oc2cc(OC(=O)c3ccccc3[N+](=O)[O-])ccc2[C@H]1c1ccc(Cl)c(Cl)c1 38655831 BMULPXIJBYSIIC-OAQYLSRUSA-N 482.279 5.339 50 10 JKGE CCOc1ccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4ccccc4C)ccc32)cc1OCC 38679002 YCNYHBMFARALIZ-SANMLTNESA-N 470.525 5.230 50 10 JKGE CCCCOc1cccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4cccc(Cl)c4)ccc32)c1 38685222 FKQUUHFUIQKVDP-RUZDIDTESA-N 474.944 5.956 50 10 JKGE N#C/C(=C\c1ccc(-c2ccc(Cl)cc2Cl)o1)C(=O)Nc1ccc(OC(F)(F)F)cc1 39884766 JEYOEVMQRCAISC-FMIVXFBMSA-N 467.230 6.698 50 10 JKGE O=C(Nc1ccccc1C(=O)N/N=C/c1cccc2ccccc12)c1ccccc1Br 59387068 BDENKURHSQROJQ-JVWAILMASA-N 472.342 5.619 50 10 JKGE CCOC(=O)/C(C#N)=C\Nc1cc(C)c(OS(=O)(=O)c2cc(Cl)cc(Cl)c2)c(Cl)c1 106930067 YOKBCJRCXWYECZ-BENRWUELSA-N 489.764 5.105 50 10 JKGE CCCNC(=O)/C(C#N)=C\c1ccc(OC(=O)COc2ccc(-c3ccc(C)cc3)cc2)c(OC)c1 206411283 OAMUQXMHFPZHHM-JLPGSUDCSA-N 484.552 5.088 50 10 JKGE FC(F)(F)COCC[C@@H](Br)c1cc(Br)sc1Br 232343445 MMOHFDAYHDNUGF-ZCFIWIBFSA-N 460.935 5.678 50 10 JKGE COc1cc(F)c(Br)cc1[C@H](Cl)c1ccc(I)cc1 234924348 LXOFYCFZYMQSHI-CQSZACIVSA-N 455.492 5.530 50 10 JKGE Cl[C@@H](c1ccc2c(c1)CCCO2)c1cc(I)ccc1Br 236040401 VOIOQBCYZDIMPH-INIZCTEOSA-N 463.540 5.707 50 10 JKGE Fc1c(Br)cccc1[C@@H](Cl)c1cc(Br)sc1Br 236126452 DCDJXELZAHSUBL-SECBINFHSA-N 463.391 6.503 50 10 JKGE Cc1ccc(CSc2nnc(SCC(=O)NN=Cc3ccc(C(F)(F)F)cc3)s2)cc1 254508942 CQHBSSGKYCGIFE-UHFFFAOYSA-N 482.578 5.400 50 10 JKGE CCOc1ccc(Br)cc1[C@@H](Br)c1c(C)cccc1Br 312458933 AGAIBTFHSUOJRO-MRXNPFEDSA-N 463.007 6.403 50 10 JKGE COc1ccc([C@@H](Br)c2ccccc2OCc2ccccc2)c(OC)c1Br 312652953 JNPKIZKURPYRIT-FQEVSTJZSA-N 492.207 6.530 50 10 JKGE Brc1ccc([C@H](Br)c2ccccc2OCc2ccccc2)c2ccccc12 312911929 KWWBIISSMJTRRJ-DEOSSOPVSA-N 482.215 7.666 50 10 JKGE Cc1ccc([C@H]2CN(Cc3ccccc3)C[C@@H]2CI)c(Br)c1 382689034 KORZYEZDLNLFKK-WMZOPIPTSA-N 470.192 5.408 50 10 JKGE C[C@H](COc1c(Br)cc(CBr)cc1Br)c1ccccc1 395240128 RYBRRNCTUXBQOA-LLVKDONJSA-N 463.007 6.289 50 10 JKGE Cc1cc(C)c([C@@H](Br)c2cscc2Br)c(C)c1Br 404711195 MQIRSDZSCSFVRR-AWEZNQCLSA-N 453.037 6.683 50 10 JKGE CC(C)(C)[Si](C)(C)OCCc1ccccc1[C@H]1CCCCN(S(=O)(=O)c2ccccc2)C1 616600984 FRZOVZBGHOQZSB-QHCPKHFHSA-N 473.755 6.209 50 10 JKGE Clc1ccc(C[C@@H](Cl)c2ccc(I)c(Br)c2)cc1 721608243 FQOIXANTMSAYGK-CYBMUJFWSA-N 455.948 6.230 50 10 JKGE Cc1ccc(-c2ccccc2)n1-c1ccc(C(=O)NN=Cc2ccc(-c3ccc(F)cc3)o2)cc1 1083885808 DUOWELOVRHJQOJ-UHFFFAOYSA-N 463.512 6.616 50 10 JKGE O=C(NN=Cc1ccccc1OCc1cccc(Br)c1)C12CC3CC(CC(C3)C1)C2 1083897997 XPZGROZVDLIQKW-UHFFFAOYSA-N 467.407 5.695 50 10 JKGE Cc1ccccc1NC(=O)/C(C#N)=C\c1ccc(OC(=O)c2ccc(Cl)cc2Cl)cc1 1084076954 VTYZSVBEDRBOJL-ATVHPVEESA-N 451.309 6.067 50 10 JKGE COc1cc(C=NNC(=O)[C@@H]2[C@@H]3CCCC[C@]32C)ccc1OCc1ccc(Cl)cc1Cl 1084089208 FCIIGKDETAEHNI-JKFKMHIGSA-N 461.389 5.857 50 10 JKGE Cn1c(SCC(=O)NN=Cc2ccccc2OCc2ccccc2Cl)nc2ccccc21 1084190310 KNBVMJOQZLPJCN-UHFFFAOYSA-N 464.978 5.048 50 10 JKGE COc1ccc(/C=C(/C#N)C(=O)Nc2cc([N+](=O)[O-])ccc2Cl)cc1OCc1ccccc1Cl 1084545896 UEERFJVZSIKCOP-YVLHZVERSA-N 498.322 6.035 50 10 JKGE COc1cc(C=NNC(=O)COc2cc(C)c(Br)cc2C(C)C)ccc1OC(C)C 1772753720 FAXDOFUBUUPZAJ-UHFFFAOYSA-N 477.399 5.206 50 10 JKGE CCCOc1c(OC)cccc1[C@@H]1C(C#N)=C(N)Oc2c1c(-c1ccc(OC)cc1)nn2CC(C)C 1865692826 JIWPVSJSVRCOPT-HSZRJFAPSA-N 488.588 5.230 50 10 JKGE CCCOc1c(OC)cccc1[C@@H]1C(C#N)=C(N)Oc2c1c(CCC)nn2Cc1cccc(F)c1 1865693602 PJAZBWUSEOVNNZ-HSZRJFAPSA-N 476.552 5.039 50 10 JKGE CCCCOc1ccc([C@@H]2C(C#N)=C(N)Oc3c2c(C)nn3-c2ccc(Cl)cc2)cc1OC 1865697164 OKNJVKFXEOHXKR-HSZRJFAPSA-N 464.953 5.240 50 10 JKGE Cn1cc([C@@H]2C(C#N)=C(N)Oc3c2c(-c2ccccc2)nn3Cc2ccccc2F)c2ccccc21 1865699415 SZIAJEXZISVHQP-VWLOTQADSA-N 475.527 5.447 50 10 JKGE COc1ccc(-c2nn(-c3ccccc3Cl)c3c2[C@@H](c2c[nH]c4ccccc24)C(C#N)=C(N)O3)cc1 1865699937 GZQLESINGOWZKK-XMMPIXPASA-N 493.954 5.901 50 10 JKGE CC[C@@H](C)N1C(=O)c2ccc(/C(O)=C(\C#N)c3nc(-c4ccc(OC)cc4)cs3)cc2C1=O 1872745776 CEMITZWWWINCIO-KHESLQRKSA-N 459.527 5.163 50 10 JKGE CC[C@H](C)[C@H](/C(O)=C(\C#N)c1nc(-c2ccc(F)c(F)c2)cs1)N1C(=O)c2ccccc2C1=O 1872751676 SDSDXENRFPMQCB-NAMOVJPQSA-N 479.508 5.592 50 10 JKGE CCCCC1CCC(/C(O)=C(\C#N)c2nc(-c3ccc(OCC)cc3OCC)cs2)CC1 1872755226 DLEDZZLKOZTPMK-LVWGJNHUSA-N 454.636 7.397 50 10 JKGE CC(C)(C)OC(=O)N1CCC[C@@H](C(=O)N/N=C/c2ccc(OCc3ccc(Cl)cc3)cc2)C1 1873499130 FRGMKZXCRUBRHR-QDCCHXAWSA-N 471.985 5.016 50 10 JKGE COc1ccc(C)cc1-c1csc(/C(C#N)=C(\O)[C@@H](CC(C)C)N2C(=O)c3ccccc3C2=O)n1 1873921253 ZDYMHDBAEPGFBK-JZBNPYPUSA-N 487.581 5.631 50 10 JKGE N#C/C(=C(/O)CCCCCNC(=O)c1ccccc1)c1nc(-c2cccc([N+](=O)[O-])c2)cs1 1873940858 KWZMOFNGQLAPJU-XDOYNYLZSA-N 462.531 5.501 50 10 JKGE Cl[C@H](c1cc(Br)ccc1OCc1ccccc1)c1occc1Br 1899864767 RQKIWWDZXNRHNH-QGZVFWFLSA-N 456.561 6.712 50 10 JKGE CC1(C)CN(Cc2ccccc2)C[C@@H]1n1c(CCl)nc2c(Br)cc(F)cc21 1912670588 RXNIZAQMRBWMDZ-SFHVURJKSA-N 450.783 5.760 50 10 JKGE CN(C[C@H](Br)COCc1ccccc1)C(=O)c1cc(Br)ccc1Cl 1916383069 BVYAYZBIAWWJRP-HNNXBMFYSA-N 475.608 5.155 50 10 JKGE Brc1cc(Br)c([C@H](Br)[C@H]2CCc3ccccc3C2)s1 1922953307 BQEQUBAFZUQNCQ-SMDDNHRTSA-N 465.048 6.514 50 10 JKGE CCC[C@@H](CC(C)C)[C@H](Br)c1c(Br)sc(Br)c1Cl 1923050311 SOAKYAZMHNDWCB-WPRPVWTQSA-N 481.519 7.825 50 10 JKGE C[C@@H]1COC[C@@H]1[C@@H](Br)c1c(Br)sc(Br)c1Br 1924612675 NHAIEJJZPVNCRR-JCGDXUMPSA-N 497.872 5.754 50 10 JKGE Clc1sc(Cl)c([C@H](Br)c2csc(I)c2)c1Cl 1925572216 BUOKRQKHQBYGHM-ZCFIWIBFSA-N 488.424 6.859 50 10 JKGE Clc1sc(Br)c(Cl)c1[C@H](Br)[C@@H]1CC[C@@H]2CCCC[C@H]2C1 1925599074 LWCVWDZNJJJYRG-UXCLJVHYSA-N 461.090 7.860 50 10 JKGE O=C(O)C[C@@H](CCCC[C@H]1CCSS1)CNC(=O)OCC1c2ccccc2-c2ccccc21 1951422491 HWVZIFZCLZSZOR-MOPGFXCFSA-N 485.671 6.330 50 10 JKGE Cc1sc(Br)c([C@H](Br)c2cscc2OCc2ccccc2)c1C 1993986711 JLNMOMVRAZATAX-QGZVFWFLSA-N 472.267 7.252 50 10 JKGE Cc1c(Br)sc([C@H](Cl)c2cc(Br)c(Cl)s2)c1Br 2004902751 PPSMULNMUUVPJN-SSDOTTSWSA-N 499.902 7.387 50 10 JKGE ClCc1c(Cl)nc(Cl)n1-c1ccc(Br)c(I)c1 2006640246 YYXNGXMWUTVCLP-UHFFFAOYSA-N 466.331 5.285 50 10 JKGE FC(F)([C@H](Br)c1cc(Br)c(Br)s1)[C@@H]1CCOC1 2012976945 IOLDCIDKORFJGH-SVGQVSJJSA-N 454.956 5.381 50 10 JKGE FC(F)([C@H]1CCOC1)[C@@H](Br)c1cc(Br)c(Br)s1 2012976946 IOLDCIDKORFJGH-XNCJUZBTSA-N 454.956 5.381 50 10 JKGE FC(F)(F)CCC[C@H](Br)c1c(Br)sc(Br)c1Cl 2022698889 OBIWZAWRQWEONL-BYPYZUCNSA-N 479.381 7.095 50 10 JKGE Fc1cc(Cl)c(Br)cc1[C@H](Br)c1ccccc1OCc1ccccc1 2036575759 HRSSYMQAPALWSH-HXUWFJFHSA-N 484.590 7.305 50 10 JKGE Brc1cccc([C@@H](Br)CCc2ccc(I)cc2)c1 2050568668 VMZAXLIYVWENRL-HNNXBMFYSA-N 479.981 6.123 50 10 JKGE COc1cc(C)c([C@H](Br)c2cscc2OCc2ccccc2)cc1Br 2077999718 RNJMAJOFSHFZEK-FQEVSTJZSA-N 482.237 6.891 50 10 JKGE Clc1cc([C@H](Cl)c2ccc(Br)cc2Br)ccc1Br 2083331061 VTJPFFOETNQQMD-ZDUSSCGKSA-N 473.817 6.956 50 10 JKGE CCCN(c1ccc(CBr)cc1Br)C1CCN(Cc2ccccc2)CC1 2087294894 JQKQOJINBPAUFJ-UHFFFAOYSA-N 480.288 6.225 50 10 JKGE Cc1cc(C)c(C)c([C@@H](Br)c2csc(Br)c2Br)c1C 2093942627 WUUDODFTPFUGNN-ZDUSSCGKSA-N 467.064 6.991 50 10 JKGE Fc1ccc(Br)cc1[C@H](Br)c1cc(C2CC2)c(Br)s1 2094674012 QOBVSRDFCYRRDZ-ZDUSSCGKSA-N 469.011 6.774 50 10 JKGE Brc1ccc(C[C@@H]2C[C@@H]3CCCC[C@@H]3[C@H]2Br)c(Br)c1 2095363106 OMFOBISKHIWSHQ-ZAJUMQRFSA-N 451.040 6.344 50 10 JKGE Cc1csc([C@H](Br)c2c(Br)cc(F)c(F)c2F)c1Br 2100809089 NVCRUHIMEMKLGP-SECBINFHSA-N 478.953 6.483 50 10 JKGE BrCc1ccc(Br)cc1N1[C@H]2CCC[C@H]1CN(Cc1ccccc1)CC2 2110315025 DHVLNWBLFXHHLV-SFTDATJTSA-N 478.272 5.977 50 10 JKGE Clc1sc([C@H](Br)c2cc(Br)c3c(c2)CCO3)cc1Br 2115931880 USDVLTPIHZIXBR-LLVKDONJSA-N 487.438 6.346 50 10 JKGE O=C(c1scc(Br)c1Br)N1C[C@H](Br)CCC12CCC2 2117886410 HWZLYDGYICNLLY-MRVPVSSYSA-N 472.040 5.195 50 10 JKGE CN(Cc1cc(Br)ccc1Br)[C@@H](CCBr)C(F)(F)F 2122010245 ZUPUEZSWHFSMJF-NSHDSACASA-N 467.949 5.359 50 10 JKGE CC[C@H]([C@@H](Br)c1c(C)c(Br)cc(C)c1Br)C(C)(F)F 2136376689 IGKVZVCCGXKMRL-NOZJJQNGSA-N 462.998 6.946 50 10 JKGE CCO[C@@H]1CC[C@H]([C@H](Br)c2ccc(Br)c(C)c2Br)C1 2138875135 CBRDPMARABEGJP-RWSFTLGLSA-N 455.028 6.161 50 10 JKGE COc1ccc(C[C@@H](Cl)c2ccc(Br)cc2I)cc1 2142278855 IUKWRHXLFICDDD-CQSZACIVSA-N 451.529 5.585 50 10 JKGE COc1cc(F)c(Cl)cc1[C@H](Br)c1ccccc1I 2142388512 LCULXDNXKYQQGW-CQSZACIVSA-N 455.492 5.577 50 10 JKGE CC(C)C[C@H](C(C)C)[C@H](Br)c1cc(I)cc2c1OCC2 2144843211 CZUBBYLXXBPLDL-ZBFHGGJFSA-N 451.186 5.980 50 10 JKGE Br[C@H](c1cc(I)sn1)c1ccc2c3c(cccc13)CC2 2176539954 SSMVZBHFCPUMLU-INIZCTEOSA-N 456.146 5.484 50 10 JKGE C[C@@H](c1cccs1)N(Cc1ccccc1)S(=O)(=O)c1cc(CBr)ccc1Cl 2179786906 HQJMQHFXUSWWOE-HNNXBMFYSA-N 484.868 6.249 50 10 JKGE Brc1cccc([C@H](CI)O[C@H]2CCOC3(CCC3)C2)c1 2197370593 VLWJPACRCVESHV-GJZGRUSLSA-N 451.142 5.044 50 10 JKGE Cc1cc(Br)c(C)c([C@@H](Br)C[C@@H]2C[C@H]3CC[C@H]2C3)c1Br 2201074870 STPLWPBNCHPHQV-ABHRYQDASA-N 465.067 7.091 50 10 JKGE Fc1cc(Br)c(Br)cc1[C@H](Br)c1ccoc1Br 2213491515 FUSHYIALVARWGA-SNVBAGLBSA-N 491.774 6.191 50 10 JKGE Cc1cc(Br)c([C@H](Cl)c2sccc2I)c(C)c1Cl 2217610442 IXOYLLGUUFPYKW-LBPRGKRZSA-N 476.004 6.714 50 10 JKGE Cn1cc([C@H](Br)Cc2ccc(Br)cc2Cl)c(Br)n1 2221697186 JNAHGCGWDURRGJ-SNVBAGLBSA-N 457.391 5.277 50 10 JKGE CCC1([C@H](Br)c2c(Br)cc(C)c(Br)c2C)CCCC1 2227349037 QJVXFROQAZWDJO-OAHLLOKOSA-N 453.056 7.235 50 10 JKGE Cc1cc(Br)c([C@H](Br)[C@@H]2CCC[C@@H]3C[C@H]32)c(C)c1Br 2227359471 ILBVSUFSSDLFPS-DSZLRUIBSA-N 451.040 6.701 50 10 JKGE O=S1(=O)C[C@H]2C([C@@H](Br)c3c(Br)cc(Cl)c(Cl)c3Cl)[C@@H]2C1 2232508764 AUXVOCLTYVIDAQ-FJNYAOGASA-N 483.436 5.136 50 10 JKGE CC1(C)CCC[C@H]([C@H](Br)c2c(Br)cc(Cl)c(Cl)c2Cl)C1 2232510833 IFNWSUFLTZFWNX-UFBFGSQYSA-N 463.468 8.062 50 10 JKGE Fc1ccc([C@@H](Br)c2c(F)cc(F)c(Br)c2F)c(Br)c1 2236106457 DFPJGWHVFURCTB-LLVKDONJSA-N 476.887 6.252 50 10 JKGE CCN(C[C@@](C)(CI)OC[C@@H]1CCC12CCC2)C(=O)OC(C)(C)C 2247315987 GULCODXSJRNDBO-MAUKXSAKSA-N 451.389 5.034 50 10 JKGE CCc1cc([C@@H](Br)c2c(Br)nn(C)c2C)sc1Br 2256052178 JBKBHHUKVPNSCM-SNVBAGLBSA-N 457.029 5.362 50 10 JKGE COc1c(Br)cc(Cl)cc1[C@@H](Br)c1cc(Br)co1 2263534018 SPNHDMFEBOGIJW-LLVKDONJSA-N 459.359 5.951 50 10 JKGE COc1cc(C)c(Br)c(C)c1[C@H](Br)c1ccc(Br)s1 2269602786 DRGDLZJDWMDPGV-CQSZACIVSA-N 469.036 6.383 50 10 JKGE C[C@@H](Br)CN(CC(C)(C)C)C(=O)c1csc(Br)c1Br 2272461233 YYCLOIQLSVOTDW-MRVPVSSYSA-N 476.072 5.545 50 10 JKGE C[C@H](C[C@@H](Br)c1c(F)cc(Br)c(F)c1Br)C(F)(F)F 2272738934 JCLBFNPARXDEIA-RFZPGFLSSA-N 474.887 6.514 50 10 JKGE C[C@H](c1ccncc1Br)[C@@H](Br)c1cc(F)c(Br)cc1F 2282138679 PQIXUCTWVABOHO-NXSYQRQQSA-N 469.949 6.125 50 10 JKGE Fc1cc(Br)c(F)c(Br)c1[C@@H](Br)C1(C(F)(F)F)CCC1 2288374331 RNPMMBRLWOOHON-SNVBAGLBSA-N 486.898 6.658 50 10 JKGE CSc1ccccc1[C@H](Br)c1c(F)cc(Br)c(F)c1Br 2288492408 FYEHDLUSTUTIBA-LBPRGKRZSA-N 487.001 6.696 50 10 JKGE N#CC(C(=O)Nc1ccc(Cl)cc1)=C1S[C@@H](Cc2ccc(Cl)cc2)C(=O)N1c1ccccc1 2296507136 VDIRWHHKAVXNED-QFIPXVFZSA-N 494.403 6.058 50 10 JKGE CCCOc1ccc(C=C(C#N)C(=O)Nc2scc(-c3ccccc3)c2C(=O)OCC)cc1 2296833269 SANVGFULXMMOEP-UHFFFAOYSA-N 460.555 5.926 50 10 JKGE N#CC(=Cc1ccc(OCc2ccc(F)cc2)c(Br)c1)c1ccc(C(=O)O)cc1 2297380613 DNBJCUWLSQPWNP-UHFFFAOYSA-N 452.279 5.930 50 10 JKGE Cc1ccc(-n2c(C)cc(C=C(C#N)C(=O)Nc3ccc(SC(F)F)cc3)c2C)c(C)c1 2297381515 JIYBBJGTKVGJTL-UHFFFAOYSA-N 451.542 6.571 50 10 JKGE Cc1cc(C=C(C#N)C(=O)Nc2ccc(SC(F)F)cc2)c(C)n1-c1ccccc1Cl 2297490844 XPYQURXYXZSJSZ-UHFFFAOYSA-N 457.933 6.608 50 10 JKGE N#CC(=Cc1ccc(C(F)(F)F)cc1)c1ccc(OC(=O)c2sc3ccccc3c2Cl)cc1 2297563540 JHUBCUMULRYVFV-UHFFFAOYSA-N 483.898 7.857 50 10 JKGE CCOc1cc(C=C(C#N)C(=O)Nc2ccccc2[N+](=O)[O-])ccc1OCc1ccc(Cl)cc1 2297713405 XZGQXHNTMJLINK-UHFFFAOYSA-N 477.904 5.772 50 10 JKGE CC(C)(CBr)N(Cc1ccccc1)C(=O)c1cc(F)c(Br)cc1O 2301400492 HKBNLFWFWQIXJF-UHFFFAOYSA-N 459.153 5.110 50 10 JKGE Cc1cc(C=C(C#N)C(=O)Nc2cccc(Cl)c2Cl)c(C)n1-c1ccc(Cl)c(Cl)c1 2313571185 PGQGIXQYCVUVLP-UHFFFAOYSA-N 479.194 7.253 50 10 JKGE CCOc1ccc(NC(=O)C(C#N)=Cc2cc(Br)ccc2OCc2cccc(F)c2)cc1 2313670511 BORRGBDNHLGVKN-UHFFFAOYSA-N 495.348 6.112 50 10 JKGE N#CC(=Cc1ccc(-c2ccc([N+](=O)[O-])cc2Cl)o1)C(=O)Nc1cc(Cl)ccc1Cl 2314571733 LAQBICMUZMTDSV-UHFFFAOYSA-N 462.676 6.361 50 10 JKGE COc1ccc(N2C(=O)[C@@H](Cc3ccccc3C)SC2=C(C#N)C(=O)Nc2ccccc2C)cc1 2314591741 CPIFWJZMCSPANM-RUZDIDTESA-N 483.593 5.377 50 10 JKGE Cc1ccc(NC(=O)C(C#N)=C2S[C@H](Cc3ccccc3C)C(=O)N2c2ccc(C)c(C)c2)cc1 2314591929 HXJFJONXCDQZRA-AREMUKBSSA-N 481.621 5.985 50 10 JKGE Clc1cc(I)c([C@H](Br)[C@@H]2C[C@H]2c2ccccc2)s1 2316599856 XFGGWATYWPCEMD-OPQQBVKSSA-N 453.570 6.246 50 10 JKGE COc1cccc(C=C(C#N)c2nc(-c3ccc(Cl)cc3)cs2)c1OCc1ccccc1 2323832073 HYULNIWIQFQGQR-UHFFFAOYSA-N 458.970 7.115 50 10 JKGE Cc1cccc(C)c1NC=C(C#N)C(=O)N1CCN(C(c2ccccc2)c2ccccc2)CC1 2324609711 PHXNJWRBELGDDK-UHFFFAOYSA-N 450.586 5.057 50 10 JKGE CCN(Cc1ccc(I)c(Br)c1)[C@H]1CCC[C@H]1Br 2325210717 AYJWARRWWJOKTJ-RISCZKNCSA-N 487.017 5.192 50 10 JKGE BrC[C@@]1(Cc2ccc(I)c(Br)c2)C[C@H]2C=C[C@H]1C2 2325238058 YPMWXPQKJUVFSA-WBIUFABUSA-N 481.997 5.574 50 10 JKGE CCOC(=O)c1c(-c2ccc(OC)cc2)csc1NC(=O)C(C#N)=Cc1cccc(F)c1 2329674098 WMHCNIIYCPRSTE-UHFFFAOYSA-N 450.491 5.285 50 10 JKGE CCCCOc1ccc(C(O)=C(C#N)c2nc(-c3ccc(OC)cc3)cs2)cc1OCC 2331276335 JSZYJFXAEMCOOC-UHFFFAOYSA-N 450.560 6.346 50 10 JKGE N#CC(=C(O)C(=Cc1ccccc1)c1ccccc1)c1nc(-c2ccc([N+](=O)[O-])cc2)cs1 2331281164 OFGPXKGDIRDLGG-UHFFFAOYSA-N 451.507 6.752 50 10 JKGE CCCOc1ccc(-c2csc(C(C#N)=C(O)c3ccc(Cl)s3)n2)cc1OCCC 2331293436 LBUQLGVEYFRZHL-UHFFFAOYSA-N 461.008 7.052 50 10 JKGE COc1ccc(-c2csc(C(C#N)=C(O)CNC(=O)c3ccc(Cl)cc3Cl)n2)cc1F 2331337088 XJHHWAVRIXXCLX-UHFFFAOYSA-N 478.332 5.487 50 10 JKGE Cc1cc(C)c(C)c(-c2csc(C(C#N)=C(O)[C@@H](C)N3C(=O)c4ccccc4C3=O)n2)c1C 2331364776 VRVLTJQLJDKUEQ-QGZVFWFLSA-N 457.555 5.521 50 10 JKGE COc1c(Cl)cc(-c2csc(C(C#N)=C(O)C=Cc3ccc(Cl)cc3Cl)n2)cc1Cl 2331396485 FKCFHIKNLMRACB-UHFFFAOYSA-N 498.218 7.938 50 10 JKGE COc1cc(C)c(-c2csc(C(C#N)=C(O)CNC(=O)c3ccc(C(C)(C)C)cc3)n2)cc1C 2331402803 TXMFBFRCORENTH-UHFFFAOYSA-N 475.614 5.956 50 10 JKGE CCOc1cc(C=C(C#N)c2nc(-c3ccccc3Cl)cs2)ccc1OCc1ccc(C)cc1 2331430438 USOBELFKTGMPBP-UHFFFAOYSA-N 487.024 7.814 50 10 JKGE CS[C@H]1C[C@@H](CC(CBr)(CBr)c2ccccc2Br)C1 2335738468 HDXIMOLABIOLGJ-TXEJJXNPSA-N 471.096 6.008 50 10 JKGE CC(F)(F)C1([C@@H](Br)c2c(Cl)cc(Br)c(F)c2Br)CC1 2337081654 AHZOICJOCFNQAT-JTQLQIEISA-N 485.363 6.876 50 10 JKGE CC(C)(C)[C@@H]1[C@@H](Br)CCN1Cc1ccc(Cl)c(I)c1 2337216608 VSLXYEIWHQHIFK-FZMZJTMJSA-N 456.593 5.329 50 10 JKGE BrC[C@@H]1CC2(CCC2)CN1Cc1ccc(I)c(Br)c1 2349858235 VMTLEMIBPUCDHF-LBPRGKRZSA-N 499.028 5.193 50 10 JKGE Clc1ccc(I)cc1CC1(CBr)CC2(C1)CC21CC1 2352423415 HBSZBXQBYDIDJW-UHFFFAOYSA-N 451.573 5.833 50 10 JKGE ClCc1nc2cc(I)ccc2n1[C@H]1C[C@@H]2C[C@H](OCc3ccccc3)C[C@H]12 2357092663 ZGBPTMPIGQTIPP-DBSRCYSRSA-N 492.788 5.936 50 10 JKGE CCC(F)(F)C(C)(C)[C@@H](Br)c1c(F)cc(Cl)c(Br)c1Cl 2360495589 BHSQGWMLEAUNIG-NSHDSACASA-N 456.955 7.403 50 10 JKGE Brc1cc(OCc2ccccc2)ccc1[C@@H](Br)[C@@H]1CCCc2ccccc21 2361195736 RIULRPQZVQMHON-QPPBQGQZSA-N 486.247 7.584 50 10 JKGE Cc1cc(Br)c(C)c([C@H](Br)[C@@H]2CO[C@]3(C)C[C@H]2C3)c1Br 2362907181 RNAFOLGWRFTZIR-WVATUKLVSA-N 467.039 6.080 50 10 JKGE COc1cc([C@@H](Cl)c2csc(Br)c2Br)c(OC)cc1Cl 2363531790 BLWWOTJXAHHSKR-GFCCVEGCSA-N 461.002 6.272 50 10 JKGE C[C@H]1Cc2cc([C@@H](Br)c3ccc(Cl)cc3I)ccc2O1 2365597491 HGWUHLNDMAFJDF-XXFAHNHDSA-N 463.540 5.752 50 10 JKGE COc1cc(OCc2ccc(Cl)cc2I)ccc1CBr 2366707489 ROIGPYAMESYCSP-UHFFFAOYSA-N 467.528 5.427 50 10 JKGE Cc1cc(Br)c(C(C)C)cc1[C@H](Br)c1c(C)nsc1Br 2380943875 GKICHEBGMHSDPV-AWEZNQCLSA-N 482.079 6.893 50 10 JKGE CC(C)C[C@@H](CBr)CN=[S@@](=O)(CCNC(=O)OC(C)(C)C)c1ccccc1 2382176571 WTDDUACOELNPBX-CBZJRKILSA-N 461.466 5.095 50 10 JKGE C[C@H](Oc1ccc(Cl)cc1Cl)C(=O)NNC(=O)c1ccc(C(C)(C)C)c(Br)c1 12492713 ADNQEMCQQHISCV-NSHDSACASA-N 488.209 5.282 50 10 JKGE N#C/C(=C/c1ccsc1Sc1ccc(Cl)cc1)S(=O)(=O)c1ccc(Cl)cc1 33384642 DVVKEFCCYPULIJ-WQRHYEAKSA-N 452.409 6.544 50 10 JKGE CCCCCCOc1ccccc1/C=C(/C#N)C(=O)Nc1ccccc1I 33410101 HAKWVXIVVPRJKP-SDXDJHTJSA-N 474.342 5.796 50 10 JKGE COc1ccc(-c2nn(-c3ccccc3)cc2/C=C(\C#N)C(=O)Nc2ccc([N+](=O)[O-])cc2)cc1 34890955 ABAVBJHDNDJHMI-XDJHFCHBSA-N 465.469 5.002 50 10 JKGE CCOc1cccc(-c2nn(-c3ccccc3)cc2/C=C(/C#N)S(=O)(=O)c2ccc(C)cc2)c1 35446462 AIDVNVCHGXYGLU-ONUIUJJFSA-N 469.566 5.585 50 10 JKGE C=CCOc1cccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4ccc(C(C)(C)C)cc4)ccc32)c1 40529790 WFNKLFAOXASFJK-MHZLTWQESA-N 480.564 5.986 50 10 JKGE Cc1c(C(=O)Nc2ccc(Cl)c(Cl)c2)oc2c1/C(=N/NC(=O)c1ccccc1Cl)CCC2 40812636 MGXKOVLGQAWTBV-MTDXEUNCSA-N 490.774 6.271 50 10 JKGE Cc1cccc(NC(=O)c2oc3c(c2C)/C(=N/NC(=O)c2cccc4ccccc24)CCC3)c1 40813601 PKKSMQCLKJGRDK-JJKYIXSRSA-N 451.526 5.772 50 10 JKGE CCOc1cc(/C=C(\C#N)C(=O)NCc2ccco2)ccc1OC(=O)c1ccc(-c2ccccc2)cc1 40926123 BFXSPTLSSYDMGX-KOEQRZSOSA-N 492.531 5.788 50 10 JKGE Cc1cc(C)c(/C(CSc2nc3ccccc3s2)=N\NC(=O)c2ccccc2Cl)cc1C 59460724 PBGOQOLHVOKPGV-SLMZUGIISA-N 480.058 6.801 50 10 JKGE CC1CCC(NC(=O)[C@@H](c2ccc(Cl)cc2)N(CCc2ccccc2Cl)C(=O)CCl)CC1 97914741 CTCJAIVKGJOBNT-INYXTNAKSA-N 495.878 6.040 50 10 JKGE N#C/C(=C(/O)c1ccc(-c2ccc(Cl)cc2Cl)o1)c1nc(-c2ccc(Cl)cc2)cs1 100989868 KLBVFXFDODCUQC-PGMHBOJBSA-N 473.768 7.980 50 10 JKGE N#C/C(=C/c1ccc(N(CCCl)CCCl)cc1)C(=O)Nc1ccc(Br)cc1 103916289 IOBZOVHHOBDOAG-SSZFMOIBSA-N 467.194 5.279 50 10 JKGE Clc1ccccc1C[C@H](Br)c1cc(Br)sc1Br 109869907 CIEVKRRRSKQYPL-VIFPVBQESA-N 459.428 6.605 50 10 JKGE COc1cc(OC)c([C@@H](Cl)c2cc(Br)c(Br)s2)c(OC)c1 128538931 QFLVPVQCIKESDM-ZDUSSCGKSA-N 456.583 5.627 50 10 JKGE Brc1cc([C@@H](Br)c2ccc3c(c2)CCCC3)sc1Br 128858161 ZTWCVQATLVDAJZ-AWEZNQCLSA-N 465.048 6.636 50 10 JKGE CCCOc1ccc([C@@H](Br)c2cc(C)cc(Br)c2)cc1Br 132036108 YUQVLIQPVUBIPV-QGZVFWFLSA-N 477.034 6.793 50 10 JKGE COc1ccc([C@@H](Br)c2csc3c(Br)cccc23)cc1Br 163506629 CUKJWWNWBARMNZ-OAHLLOKOSA-N 491.042 6.919 50 10 JKGE COc1ccc(/C=C\C(=O)Oc2ccc(/C=C(\C#N)c3nc(-c4cccs4)cs3)cc2)cc1 210607282 FHOSZTWVDVIZRW-YRAILMQZSA-N 470.575 6.563 50 10 JKGE Cc1ccc(-c2ccc(/C=C(/C#N)c3nc(-c4cccc([N+](=O)[O-])c4)cs3)o2)c([N+](=O)[O-])c1 214019757 JLDFHMUSUILGCJ-WJDWOHSUSA-N 458.455 6.259 50 10 JKGE Cc1c(Cl)cccc1[C@H](Br)c1cc(Br)ccc1Br 219932637 LCJMBSQQVXONNK-AWEZNQCLSA-N 453.399 6.658 50 10 JKGE CCC[C@@H](CCBr)CNC(=O)c1ccc(Br)cc1Br 227499219 CGRFLEZDLYENSA-JTQLQIEISA-N 456.016 5.143 50 10 JKGE CC(C)Cn1c(CBr)nnc1-c1cc(Br)cc(Br)c1 232623129 BAILXCHGCFBSSL-UHFFFAOYSA-N 451.988 5.021 50 10 JKGE COc1cc(F)c(Br)cc1[C@H](Cl)c1cccc(C)c1I 234924758 KSYJAEOUGYNMJP-CQSZACIVSA-N 469.519 5.838 50 10 JKGE COc1ccc([C@@H](Br)c2cc(Cl)ccc2Br)c(Br)c1 234973411 LPNGOHRXEMBCCG-CQSZACIVSA-N 469.398 6.358 50 10 JKGE Fc1ccc([C@@H](Cl)c2cc(F)c(Br)cc2F)c(I)c1 236212298 WCITWOIFDZANLA-CYBMUJFWSA-N 461.446 5.799 50 10 JKGE Fc1cc([C@H](Br)c2cc(Cl)cc(Br)c2)c(F)cc1Br 236235152 PLWKUWUSWXKLKX-CYBMUJFWSA-N 475.352 6.628 50 10 JKGE CCCCC(=O)Nc1cccc(C(=O)NN=Cc2ccccc2OCc2ccc(Cl)cc2)c1 252592227 BDSOYQAXWYLZQK-UHFFFAOYSA-N 463.965 5.812 50 10 JKGE CCOc1cc(C=NNC(=O)c2cc3c(ccc4ccccc43)o2)ccc1OCc1ccc(Cl)cc1 252624635 PSCCKXOUUYEEGH-UHFFFAOYSA-N 498.966 6.981 50 10 JKGE COc1ccccc1/C=C/C=NNC(=O)CSc1nnc(SCc2ccc(C)cc2)s1 254288118 HYVKXMGKIVEUTB-UCMXZAMVSA-N 470.645 5.055 50 10 JKGE Cl[C@@H](c1cc2c(cc1Br)OCC2)c1cc(Br)sc1Br 308409430 BWEXBUPELWNLGN-LBPRGKRZSA-N 487.438 6.299 50 10 JKGE Clc1cc([C@H](Cl)c2cc(Cl)c(Cl)c(Cl)c2Cl)ccc1Br 404833345 IBKWALSACKERPD-JTQLQIEISA-N 453.805 8.044 50 10 JKGE Clc1sc([C@@H](Br)c2cscc2Br)cc1Br 404875879 WQMMYIUQTJZANG-QMMMGPOBSA-N 451.430 6.472 50 10 JKGE CC(C)(C)OC(=O)NCCN1CCOCC[C@H]1c1ccc(CO[Si](C)(C)C(C)(C)C)cc1 616598673 SXFAKJNVNLALSZ-QFIPXVFZSA-N 464.723 5.497 50 10 JKGE COc1ccc([C@@H](Br)c2cccc(F)c2I)cc1Br 721690309 DUSRVAIBMUPCBX-CYBMUJFWSA-N 499.943 5.686 50 10 JKGE Cc1ccc([C@H](Br)c2sc(C)c(Br)c2C)c(Br)c1 724929773 YUFKACXUCVPUCU-ZDUSSCGKSA-N 453.037 6.683 50 10 JKGE CC(C)(C)[Si](C)(C)OC[C@H](Cn1cc([N+](=O)[O-])nc1Cl)OC(=O)/C=C/c1ccccc1 888086456 SAVWMKGEJFECES-FLVLSHQESA-N 466.010 5.092 50 10 JKGE C[C@H]([c-]1cccc1P(C1=C[CH-][CH-]C=C1)C1=C[CH-][CH-]C=C1)N(C)P(c1ccccc1)c1ccccc1 1083049497 KMDSRSLFOGGWJT-AREMUKBSSA-N 490.547 7.278 50 10 JKGE C=CCc1cc(/C=C(\C#N)C(=O)N(C)C)cc(Br)c1OCc1ccc2ccccc2c1 1083918163 KIEOGBWDEMWXGZ-OEAKJJBVSA-N 475.386 5.905 50 10 JKGE O=C(NN=Cc1c(Cl)cccc1Cl)c1ccc(OCc2ccc(Br)cc2)cc1 1084153311 RMURJFQVTZNBHB-UHFFFAOYSA-N 478.173 6.099 50 10 JKGE CCOc1cc(C=NNC(=O)c2ccc([N+](=O)[O-])cc2)ccc1OCc1ccc(Cl)cc1Cl 1084387814 BWVXJWYKAGAIAT-UHFFFAOYSA-N 488.327 5.643 50 10 JKGE COc1ccc(/C(C#N)=C/c2ccc(OC(=O)c3ccc(Cl)c(Cl)c3)c(OC)c2)cc1OC 1615066146 VAMUPSYKDQJPFB-VCHYOVAHSA-N 484.335 6.303 50 10 JKGE COc1ccccc1C(=O)NN=C1CCCc2oc(C(=O)Nc3cccc(Cl)c3Cl)c(C)c21 1772745543 BAQWFKJZGHVNKL-UHFFFAOYSA-N 486.355 5.626 50 10 JKGE Cc1ccc(C(C)C)c(OC(=O)c2oc3c(c2C)C(=NNC(=O)c2ccccc2O)CCC3)c1 1772751977 QJXKHAQILDMLEA-UHFFFAOYSA-N 460.530 5.415 50 10 JKGE CCCOc1ccc(C=NNC(=O)Nc2sc3c(c2C(=O)OCC)CC[C@@H](C)C3)cc1OC 1772753078 FMPTYHSJLXKYOW-OAHLLOKOSA-N 473.595 5.003 50 10 JKGE N#CSc1ccc(NC(=O)Oc2cccc3c(NC(=O)CNC(=O)c4ccccc4)cccc23)cc1 1858772889 GFJSMXPEVWNABO-UHFFFAOYSA-N 496.548 5.392 50 10 JKGE CN(C)c1ccc([C@H]2C(C#N)=C(N)Oc3c2c(C(F)(F)F)nn3Cc2c(F)cccc2Cl)cc1 1865683381 KMKQMZHXGMUEOC-SFHVURJKSA-N 491.876 5.027 50 10 JKGE N#CC1=C(N)Oc2c(c(-c3ccccc3)nn2Cc2ccccc2Cl)[C@H]1c1cccc(Cl)c1 1865683541 MEUUXSDNQUMNEG-QFIPXVFZSA-N 473.363 6.123 50 10 JKGE COc1ccc(-n2nc(C(F)(F)F)c3c2OC(N)=C(C#N)[C@@H]3c2ccc(C(C)C)cc2)cc1 1865685050 CYSZQQRKWFRRHV-IBGZPJMESA-N 454.452 5.241 50 10 JKGE Cc1ccc(-n2nc(-c3ccccc3)c3c2OC(N)=C(C#N)[C@@H]3c2ccc(Cl)cc2Cl)cc1 1865685227 FZMQYWXYKLGQAG-QFIPXVFZSA-N 473.363 6.373 50 10 JKGE CCCCOc1ccc([C@@H]2C(C#N)=C(N)Oc3c2c(-c2ccccc2)nn3CCC)cc1OC 1865697126 NSXVJTPZDLNDFO-HSZRJFAPSA-N 458.562 5.366 50 10 JKGE CCCc1nn(-c2ccccn2)c2c1[C@H](c1ccccc1OCc1ccc(Cl)cc1)C(C#N)=C(N)O2 1865700990 IWNFAJXZZKRWOV-RUZDIDTESA-N 497.986 5.670 50 10 JKGE CCCn1nc(CC)c2c1OC(N)=C(C#N)[C@H]2c1ccc(OCc2ccccc2C)c(OCC)c1 1865705174 OCQDVBBDIBOCKF-RUZDIDTESA-N 472.589 5.360 50 10 JKGE N#C/C(=C(/O)Cc1cc(Cl)ccc1Cl)c1nc(-c2cccc(Br)c2)cs1 1872746219 YJCKAQMJEMFMIE-SDXDJHTJSA-N 466.187 6.915 50 10 JKGE CCCCCCCOc1ccc(-c2csc(/C(C#N)=C(O)/C=C/c3cccc(Cl)c3)n2)cc1 1872752977 BYNSBMKYGVSCIS-ZSOVKXEESA-N 479.045 8.319 50 10 JKGE COc1ccc(OC/C(O)=C(\C#N)c2nc(-c3cc(C(C)(C)C)ccc3C)cs2)c(C(C)(C)C)c1 1872755964 NXLJSIXLBQLQBG-LVWGJNHUSA-N 490.669 7.594 50 10 JKGE CCCCCOc1ccc(/C=C(\C#N)c2nc(-c3cc(C(C)C)c(OC)cc3C)cs2)cc1OC 1872793359 WFOGYKNRHSMVNH-HYARGMPZSA-N 490.669 7.892 50 10 JKGE CCCCCOc1ccc(/C=C(\C#N)c2nc(-c3cc(C)c(Cl)cc3OC)cs2)cc1 1872794131 LNDCZNRVHJUOPI-CPNJWEJPSA-N 453.007 7.414 50 10 JKGE COc1c(Cl)cc(-c2csc(/C(C#N)=C/c3ccc(C(F)(F)F)cc3)n2)cc1Cl 1872794735 SXMFCFQMFIMDFL-AWNIVKPZSA-N 455.288 7.208 50 10 JKGE CC[C@H](C)[C@H](NC(=O)OC(C)(C)C)C(=O)N/N=C/c1ccc(OCc2ccccc2Cl)cc1 1873793267 GKWBWNKRLGEJRE-HUQXMHCUSA-N 474.001 5.309 50 10 JKGE FC(F)(F)c1cc(Br)cnc1N(CCCBr)Cc1ccccc1 1914652750 ICYSGFCYGXKOAO-UHFFFAOYSA-N 452.112 5.655 50 10 JKGE Brc1cc([C@@H](Br)c2sc(Br)cc2Br)cs1 1922920159 DBTRBNJVZNCNSI-MRVPVSSYSA-N 495.881 6.581 50 10 JKGE Clc1ccc([C@H](Br)c2sc(Br)cc2Br)cc1Cl 1922937496 YRSFYBYLDHPJSO-JTQLQIEISA-N 479.846 7.064 50 10 JKGE COCC1(C[C@@H](Br)c2c(Br)sc(Br)c2Cl)CC1 1923049612 MLGCCOQYJNEELU-ZCFIWIBFSA-N 467.448 6.179 50 10 JKGE Clc1c(Br)sc(Br)c1[C@H](Br)[C@@H]1CCc2ccccc2C1 1923071461 IYAGVYAWCFCOGD-ZYHUDNBSSA-N 499.493 7.168 50 10 JKGE Cc1cscc1[C@@H](Cl)c1c(Br)sc(Br)c1Br 1924580695 UQODGAGSOHMSLM-MRVPVSSYSA-N 465.457 6.734 50 10 JKGE O=[N+]([O-])c1ccc([C@@H](Cl)c2c(Br)sc(Br)c2Br)o1 1924589637 DMPGZFFUPJIZFZ-SSDOTTSWSA-N 480.359 5.865 50 10 JKGE Clc1sc(Br)c(Cl)c1[C@@H](Cl)c1csc(I)c1 1925573385 NAAKCLDKHBIZSL-LURJTMIESA-N 488.424 6.812 50 10 JKGE O=C(O)[C@@H]1CCN(C(=O)OCC2c3ccccc3-c3ccccc32)[C@@H]1CCCC[C@H]1CCSS1 1952785772 FPMJLZAHSGJYAX-XYURVEJXSA-N 497.682 6.425 50 10 JKGE Clc1cc(Br)c([C@H](Br)c2cc(Br)cs2)s1 1961677954 KNVBXOOYSIMMEL-MRVPVSSYSA-N 451.430 6.472 50 10 JKGE CC1(F)CC([C@@H](Br)c2c(Br)sc(Br)c2Br)C1 1986900020 SXJHIUWSKXKLIG-DJQPPXJLSA-N 499.863 6.610 50 10 JKGE CC(C)(C)OC(=O)NCCSSCCNCc1cc(Br)ccc1Cl 2010825536 MLENBSWQLUPMGC-UHFFFAOYSA-N 455.871 5.098 50 10 JKGE CC(C)c1ccccc1[C@H](Br)c1cc(Br)c(Br)s1 2027521254 WBDQMJZAZOYYIZ-ZDUSSCGKSA-N 453.037 6.881 50 10 JKGE Brc1cc([C@H](Br)[C@@]23CCCC[C@@H]2CCC3)sc1Br 2031752126 LDPHRKLFFDRYHL-LJWDBELGSA-N 457.069 7.070 50 10 JKGE FC1(F)CCCCC[C@H]1[C@H](Br)c1sc(Br)cc1Br 2046377531 SZAZGDMWMNGXAM-XVKPBYJWSA-N 467.011 6.925 50 10 JKGE CC(C)C[C@@H](CBr)CNC(=O)c1csc(Br)c1Br 2057120120 NKLZIILETCRZPR-QMMMGPOBSA-N 462.045 5.060 50 10 JKGE FC(F)(C1CCCCC1)[C@H](Br)c1cc(Br)c(Br)s1 2065548095 GSRCDKPFADTUKB-SNVBAGLBSA-N 467.011 6.925 50 10 JKGE COCc1ccccc1[C@H](Br)c1sc(Br)cc1Br 2071270095 JGORRKVHBVWUHS-LBPRGKRZSA-N 455.009 5.904 50 10 JKGE COc1ccc(Br)cc1[C@@H](Br)Cc1ccccc1I 2087570890 WZVFNEHAEOMRKN-ZDUSSCGKSA-N 495.980 5.741 50 10 JKGE CCc1cc(Br)c([C@@H](Br)c2ccc(Br)cc2OC)s1 2089709932 RRAPOOFVRGCWDH-ZDUSSCGKSA-N 469.036 6.328 50 10 JKGE COc1cc(Br)c(C)cc1[C@H](Cl)c1scc(Br)c1Br 2089725736 QABMTAWHPDAQCK-LBPRGKRZSA-N 489.454 6.681 50 10 JKGE CC(C)[C@@H]1CC[C@H](Br)[C@@H](Cc2ccc(Br)cc2Br)C1 2092268120 UYUCYDCJYAUDRR-KYOSRNDESA-N 453.056 6.590 50 10 JKGE C[C@H](Cl)c1nc2cc(I)ccc2n1[C@]12C[C@@H]1CN(Cc1ccccc1)C2 2099677765 CEXQOEGTKDACGL-PXARDIRTSA-N 477.777 5.172 50 10 JKGE Clc1cc(Br)ccc1CC[C@H](Br)c1ccccc1Br 2113444814 PVXOVSSMIPHACA-AWEZNQCLSA-N 467.426 6.934 50 10 JKGE C[C@@H]1CN(Cc2c(Br)cccc2Br)CC[C@H]1CCBr 2115840418 AYURXABDGLKLPO-VXGBXAGGSA-N 454.044 5.455 50 10 JKGE Cc1cc(Cl)c(Br)cc1[C@H](Br)c1cc(Cl)cc(Br)c1 2137640799 AEVAJOPPZFEMOL-CQSZACIVSA-N 487.844 7.311 50 10 JKGE Cc1c(Br)cccc1C[C@@H](CBr)Cc1ccccc1Br 2143691149 IPWGXJUWACJCGZ-CYBMUJFWSA-N 461.035 6.316 50 10 JKGE Cc1cc([C@H](Br)c2cc3c(cc2Br)OCCO3)c(Br)s1 2157249401 RILWGTJMXRVSAB-CYBMUJFWSA-N 483.019 5.837 50 10 JKGE Cc1ccc(Br)c(COc2c(Br)cc(Cl)cc2CBr)n1 2169023651 AZJOPRGZTFRVSZ-UHFFFAOYSA-N 484.413 6.042 50 10 JKGE CC(C)CNCc1cc(Br)cc(Br)c1OC[C@H]1C[C@@H]1Br 2196907845 UFRNXWAPYJAHGT-YPMHNXCESA-N 470.043 5.119 50 10 JKGE CCCCCc1ccc([C@@H](Br)c2cc(I)ccc2F)s1 2197245653 BSVALUGGLLTIQP-INIZCTEOSA-N 467.185 6.709 50 10 JKGE Fc1cc(Br)c([C@H](Br)c2c(F)cccc2Br)c(F)c1Cl 2201619323 PRDGNKDIARDLIJ-LLVKDONJSA-N 493.342 6.767 50 10 JKGE COc1cccc(OC)c1[C@@H](Br)c1ccc(Br)cc1Br 2203688530 UTNHNHTXNLGZES-HNNXBMFYSA-N 464.979 5.713 50 10 JKGE CC1(C)CC2(C1)CC(CBr)(Cc1ccc(I)c(Cl)c1)C2 2208033554 PXUJBPWCNUUVFO-UHFFFAOYSA-N 467.616 6.469 50 10 JKGE Fc1cc(Br)c(Br)cc1[C@H](Cl)c1cc(Cl)c(Cl)s1 2218597391 LWGIYFGWHASSJZ-JTQLQIEISA-N 453.385 7.047 50 10 JKGE BrC[C@H](Cc1ccc(Br)cc1)Cc1cscc1Br 2219912670 GPTXJARWQNOFCP-LLVKDONJSA-N 453.037 6.069 50 10 JKGE C[C@@H]1CC([C@H](Br)c2cc(Br)c(Br)cc2F)C[C@@H](C)O1 2225634212 NLIBKXFQGMTBIG-WGZSSWNPSA-N 458.991 5.990 50 10 JKGE Cc1c(F)ccc([C@@H](Cl)c2ccc(Br)cc2I)c1F 2231089598 VFSMWARGJRGCEN-ZDUSSCGKSA-N 457.483 5.969 50 10 JKGE Cc1ccc([C@H](C)[C@H](Br)c2sc(Br)c(C)c2Br)cc1 2232081423 JCNGLXSBAWVKPA-CABZTGNLSA-N 467.064 7.130 50 10 JKGE CC1(C)OCCC[C@H]1[C@H](Br)c1c(Br)cc(Cl)c(Cl)c1Cl 2232510389 MRLOKIYTJCMLLV-CPCISQLKSA-N 465.440 7.051 50 10 JKGE CCO[C@@H]1CC[C@@H]([C@@H](Br)c2c(Br)cc(C)c(Br)c2C)C1 2235605248 QTNSTCBPESPEFM-XHBSWPGZSA-N 469.055 6.470 50 10 JKGE CCOc1ccc([C@H](Br)c2sc(C)c(C)c2Br)c(Br)c1 2237630285 UBPRXSLQLVSMDS-AWEZNQCLSA-N 483.063 6.773 50 10 JKGE CC(C)(C)OC(=O)NCCSSCCN[C@@H]1C[C@H]2CCCC[C@@H]2N(C(=O)OC(C)(C)C)C1 2253789106 CAFZPPFTXLLZPY-QRVBRYPASA-N 489.748 5.050 50 10 JKGE CC(C)(C(F)F)[C@H](Br)c1c(F)cc(Br)c(F)c1Br 2260070972 NGBHBFIHOWMVQL-SECBINFHSA-N 456.897 6.217 50 10 JKGE COc1ccc([C@@H](Br)c2ccc(Cl)cc2F)cc1I 2269551789 AQPJCZMJIBHRDE-CQSZACIVSA-N 455.492 5.577 50 10 JKGE COc1cc(C)c(Cl)cc1[C@H](Br)c1scc(Br)c1Br 2277908132 WRLDJMKZYGAALI-NSHDSACASA-N 489.454 6.728 50 10 JKGE Fc1cc(Br)c([C@H](Br)c2cccc(Cl)c2Br)c(F)c1F 2283188768 NSKYUQWKKRFDAS-LLVKDONJSA-N 493.342 6.767 50 10 JKGE CCOc1ccc(Br)cc1[C@H](Br)c1cccc(Cl)c1Br 2283197510 IUJPXOVBNWBAKB-CQSZACIVSA-N 483.425 6.748 50 10 JKGE COc1c([C@H](Br)c2c(F)cc(F)c(Br)c2F)csc1Cl 2284310373 QDKFERWDBAQPLX-QMMMGPOBSA-N 450.501 6.074 50 10 JKGE Cc1ccc([C@@H](Br)c2cc(Br)c(F)cc2Cl)c(C)c1Br 2285946900 YZBULUOEWXKWJO-OAHLLOKOSA-N 485.416 7.105 50 10 JKGE Cc1c(F)cccc1[C@H](Br)c1c(F)cc(Br)c(F)c1Br 2288345648 FETMAMQRKHRICB-LBPRGKRZSA-N 472.924 6.422 50 10 JKGE C[C@@H]1C[C@@H]2C[C@@H]2C[C@@H]1[C@H](Br)c1c(F)cc(Br)c(F)c1Br 2288373872 NIIHTDPZLBVZON-CMDUOZMTSA-N 472.993 6.608 50 10 JKGE COc1cc(C=C(C#N)C(=O)Nc2ccc(C)c(Cl)c2)ccc1OCc1ccccc1C#N 2294172013 SWNJPSLRPZJDAK-UHFFFAOYSA-N 457.917 5.653 50 10 JKGE CCn1c2ccccc2c2cc(NC=C(C#N)c3nc(-c4ccc(Br)cc4)cs3)ccc21 2295934359 IXRXEVZXFQTQFJ-UHFFFAOYSA-N 499.437 7.677 50 10 JKGE Cc1ccc(NC(=O)C(C#N)=Cc2c(Oc3ccc(C(C)(C)C)cc3)nc3ccccn3c2=O)cc1 2296543544 LHRXWQXVMZGXCN-UHFFFAOYSA-N 478.552 5.638 50 10 JKGE CCCCCCOc1ccc(-c2nn(-c3ccccc3)cc2C=C(C#N)C(=O)NCCOC)cc1 2296707758 GOWMXLFFGLTDBN-UHFFFAOYSA-N 472.589 5.168 50 10 JKGE Cc1ccc(-c2csc(C(C#N)=CNc3ccccc3I)n2)c(C)c1 2296800574 HCPRMDOBJYHDCY-UHFFFAOYSA-N 457.340 6.008 50 10 JKGE Cc1ccc(Cc2cnc(NC(=O)C(C#N)=Cc3ccc(-c4cccc(Cl)c4)o3)s2)cc1Cl 2296818935 BZHWBIALVCUXJE-UHFFFAOYSA-N 494.403 7.155 50 10 JKGE C=CCc1cc(C=C(C#N)C(=O)NC2CCCCC2)cc(OCC)c1OCc1ccc(Cl)cc1 2297629180 RVHUYQWHWNTXPV-UHFFFAOYSA-N 479.020 6.402 50 10 JKGE Brc1ccc(OCc2ccccc2)c([C@H](Br)[C@@H]2[C@H]3CCOC[C@@H]32)c1 2299501868 RNMSNLQXHRHQLT-UUXHPUJUSA-N 452.186 5.747 50 10 JKGE Cn1nc([C@H](Cl)c2sc(Cl)cc2I)c(Br)c1Cl 2301078835 MXRMGABQTHBPHH-LURJTMIESA-N 486.387 5.484 50 10 JKGE C=CCC(CBr)(CBr)Cc1cc(I)ccc1Cl 2307330745 SBCGKBOBDXEHQM-UHFFFAOYSA-N 492.420 5.839 50 10 JKGE Cc1ccc(-c2csc(C(C#N)=Cc3cc([N+](=O)[O-])ccc3OCC(=O)Nc3ccccc3)n2)cc1 2314490602 ZFQIPHYUCZETIY-UHFFFAOYSA-N 496.548 6.108 50 10 JKGE Cc1cc(CBr)ccc1Oc1cc(Br)cc(I)c1 2316758172 GCDCXNVHOGWPLZ-UHFFFAOYSA-N 481.953 6.049 50 10 JKGE CC[C@H](C)[C@H](NC(=O)OC(C)(C)C)C(=O)NN=Cc1ccc(OCc2ccc(Cl)cc2)cc1 2328795065 GAWADMXKCWHHAD-JTSKRJEESA-N 474.001 5.309 50 10 JKGE C[C@H](c1ccccc1)N1C[C@@H](C(O)=C(C#N)c2nc(-c3ccc(F)cc3F)cs2)CC1=O 2331286597 OEYZNUWJMBKBFN-ZBFHGGJFSA-N 451.498 5.491 50 10 JKGE CCOc1ccc(OCC)c(-c2csc(C(C#N)=C(O)c3ccccc3C(=O)c3ccccc3)n2)c1 2331376224 PIMNYSRYASSIFY-UHFFFAOYSA-N 496.588 6.788 50 10 JKGE Brc1ccc([C@@H](Br)[C@@H]2C[C@H]2C2CCOCC2)c(Br)c1 2333146005 FPCZXDFBFPLOKY-GZBFAFLISA-N 453.012 5.710 50 10 JKGE COCCC1([C@@H](Br)c2c(Cl)cc(Br)c(F)c2Br)CC1 2337084782 PQBUQIHELRXZIP-LBPRGKRZSA-N 479.409 6.257 50 10 JKGE Cc1scc([C@H](Cl)c2c(Br)cc(Cl)c(Cl)c2Cl)c1Br 2343565693 ZSXHXGXELKZYHE-JTQLQIEISA-N 483.867 7.870 50 10 JKGE C[C@H](c1ccncc1F)[C@H](Cl)c1ccc(I)c(Br)c1 2344698805 NEVCBABSTQZWCR-CLAHSXSESA-N 454.508 5.671 50 10 JKGE Cc1cc(OCc2ccc(I)c(Br)c2)ncc1CBr 2350057195 BIGOZMWAZMDOMF-UHFFFAOYSA-N 496.968 5.231 50 10 JKGE Cc1c(Br)sc([C@@H](Cl)[C@]23CCC[C@H]2CS(=O)(=O)C3)c1Br 2357952083 NMVIOBSJQMJJPV-KDDOJWQBSA-N 462.656 5.076 50 10 JKGE Fc1cc(Cl)c(Br)c(Cl)c1[C@@H](Br)C[C@@H]1CCCC1(F)F 2360402981 VZKCFOXCOUSYSI-BQBZGAKWSA-N 454.939 7.157 50 10 JKGE CCOc1ccc(Br)cc1[C@@H](Br)c1c(Br)nc(C)n1C 2362438965 APKHHKIRTZUMPI-GFCCVEGCSA-N 466.999 5.137 50 10 JKGE CC(C)(C)OC(=O)N1CCC[C@](CBr)(OCc2cc(F)ccc2C(F)F)C1 2363553952 UIUVUZIWNSQJEV-LJQANCHMSA-N 452.311 5.445 50 10 JKGE O=[N+]([O-])c1cc(CCl)ccc1Oc1cc(Br)cc(I)c1 2364262134 YIDCESZPMGALOA-UHFFFAOYSA-N 468.472 5.493 50 10 JKGE CCOc1ccc(C)cc1[C@@H](Br)c1ccc(Cl)cc1I 2365598617 RDRIJMOFELZHGS-INIZCTEOSA-N 465.556 6.136 50 10 JKGE COc1cccc([C@H](Cl)CCc2ccc(I)c(Br)c2)c1 2377311926 AFXQXAAFXRISDV-OAHLLOKOSA-N 465.556 5.975 50 10 JKGE ClC[C@H]1CCC2(CCC2)CN1Cc1ccc(I)c(Br)c1 2377343597 MRYPZNHXRBIULS-CYBMUJFWSA-N 468.604 5.427 50 10 JKGE COc1ccc(/C=N/NC(=O)c2ccccc2Br)cc1CN1CCCc2ccccc21 3064502 QLOQNFFDVKUQAF-JVWAILMASA-N 478.390 5.174 50 10 JKGE O=C(c1cccs1)N(/N=C/c1ccc([N+](=O)[O-])o1)c1nc2ccc(Br)cc2s1 9148693 MWFCBAPZJJTKGE-DJKKODMXSA-N 477.321 5.302 50 10 JKGE CCOc1ccc(/C=C/C(=O)Oc2ccc(/C=C(/C#N)c3ccccc3)cc2OC)cc1OC 31901896 SQGXKLFSSGRXBB-WULFHVAMSA-N 455.510 5.785 50 10 JKGE CCOC(=O)/C(C#N)=C/c1cc(Br)c(OC(=O)C23CC4CC(CC(C4)C2)C3)c(OC)c1 33439052 FMVFWJVWDMHLRN-CNHKJKLMSA-N 488.378 5.050 50 10 JKGE N#C/C(=C/c1ccc(N2N=C(c3ccccc3)C[C@H]2c2ccccc2)cc1)c1nc(O)c2ccccc2n1 33568806 QHXHXSUSLBEMLG-YOAKOGDNSA-N 493.570 6.755 50 10 JKGE COc1cc(/C=C(/C#N)C(=O)NCCc2ccccc2)ccc1OCc1cccc(C(F)(F)F)c1 33576165 JDLLJRMMINVFGW-HMAPJEAMSA-N 480.486 5.559 50 10 JKGE Cc1c(F)cccc1N1C(=O)CS[C@@H]1c1cccc(NC(=O)[C@@H](Cl)c2ccccc2)c1 35927648 GYCLLHIFKIZDCW-LADGPHEKSA-N 454.954 5.831 50 10 JKGE CCCCCOc1ccc(/C=C2/C(=O)N(Cc3ccc(C)cc3)C(=O)C(C#N)=C2C)cc1OCC 38608448 FGEYGZIQOCXLST-LFVJCYFKSA-N 472.585 5.755 50 10 JKGE N#CC1=C(N)Oc2cc(OC(=O)c3cccc([N+](=O)[O-])c3)ccc2[C@@H]1c1ccc(Cl)cc1Cl 38655644 VJCNXJVAAROKAQ-NRFANRHFSA-N 482.279 5.339 50 10 JKGE COc1ccccc1OCC(=O)Oc1ccc2c(c1)OC(N)=C(C#N)[C@@H]2c1ccc(Cl)c(Cl)c1 38655741 CCJTYMYWCRLQGT-XMMPIXPASA-N 497.334 5.205 50 10 JKGE Cc1cc(Cl)ccc1OCC(=O)Oc1ccc2c(c1)OC(N)=C(C#N)[C@H]2c1cccc2ccccc12 38657896 JBCSYWOWNAZPPJ-NDEPHWFRSA-N 496.950 6.004 50 10 JKGE CCCCOc1ccccc1C(=O)Oc1ccc2c(c1)OC(N)=C(C#N)[C@H]2c1ccc(CC)cc1 38677603 OMLOKRWSZLBSQE-MHZLTWQESA-N 468.553 5.865 50 10 JKGE CCOc1ccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4ccccc4F)ccc32)cc1OCC 38679356 KGEJVPBWEYQGSP-VWLOTQADSA-N 474.488 5.060 50 10 JKGE COc1cccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4oc5cc(C)cc(C)c5c4C)ccc32)c1 38687338 GRNWJKNGCOZDTP-AREMUKBSSA-N 480.520 5.804 50 10 JKGE CCCCc1ccc(NC(=O)c2oc3c(c2C)/C(=N/NC(=O)c2ccc(F)cc2)CCC3)cc1 40811869 NDTHPQTYCZHPFV-JBASAIQMSA-N 461.537 5.792 50 10 JKGE Cc1c(C(=O)Nc2cccc(C(F)(F)F)c2)oc2c1/C(=N/NC(=O)c1cccs1)CCC2 40823731 KHYYCWQHDMDSMX-JFLMPSFJSA-N 461.465 5.391 50 10 JKGE CCOc1ccc(Br)cc1/C=N/NC(=O)COc1ccc(C(C)(C)CC(C)(C)C)cc1 40911909 BVSPUFSSSYANBY-JFLMPSFJSA-N 489.454 6.091 50 10 JKGE CC(C)Cc1ccc([C@H](C)C(=O)N/N=C2\C(=O)N(Cc3ccccc3Cl)c3ccccc32)cc1 59146542 NXZFUWZVFRFDGF-BKXFLVDTSA-N 474.004 5.709 50 10 JKGE COc1cc(/C=C(\C#N)C(=O)Nc2cccc([N+](=O)[O-])c2)ccc1OCc1ccccc1Cl 59255402 UGFGUHVRXUYDCL-WOJGMQOQSA-N 463.877 5.381 50 10 JKGE Cc1c(/C=N/NC(=O)c2cc3ccccc3o2)c2ccccc2n1Cc1ccc(Br)cc1 59305105 VZRUMDVWPYTRKO-RWPZCVJISA-N 486.369 6.271 50 10 JKGE Cc1cccc(C)c1NC(=O)CSc1ccc(/C=N/NC(=O)c2cc3ccccc3cc2O)o1 59506434 PMYYEZLLQSLCJK-MZJWZYIUSA-N 473.554 5.250 50 10 JKGE Cc1cc(C(=O)/C(C#N)=C\c2ccc(-c3ccc(Br)cc3)o2)c(C)n1-c1ccccc1F 97990763 XUFCPRLLCYLMRH-RGEXLXHISA-N 489.344 7.046 50 10 JKGE O=C(Nc1ccccc1C(F)(F)F)[C@@H](Br)[C@H](Br)c1ccccc1 101051533 CWSZAVXYIDJSQR-KGLIPLIRSA-N 451.080 5.544 50 10 JKGE CCc1ccc(N2C(=O)[C@H](Cc3ccccc3C)S/C2=C(/C#N)C(=O)Nc2ccccc2)cc1 101244326 PQAIUGJTUFXKGT-UZEPBSNMSA-N 467.594 5.622 50 10 JKGE CCOC(=O)c1c(N/C=C(\C#N)c2nc(-c3ccccc3)cs2)sc(C(=O)OC)c1C 102924459 DBMYQFUELCDQEW-RVDMUPIBSA-N 453.545 5.120 50 10 JKGE Cc1cccc(C)c1N/C(SCc1ccccc1F)=C(\C#N)S(=O)(=O)c1ccccc1 104688823 LERLRXDDRXAGLY-GYHWCHFESA-N 452.576 5.954 50 10 JKGE Cc1cc(Br)ccc1[C@H](Cl)c1cc(Br)ccc1Br 109803273 DBEXBDVMTWVLOC-AWEZNQCLSA-N 453.399 6.611 50 10 JKGE Cc1cc([C@@H](Br)c2cc3c(cc2Br)OCCO3)sc1Br 123418963 NZWNPTVSOFKGJN-ZDUSSCGKSA-N 483.019 5.837 50 10 JKGE Oc1cccc(CC(CBr)(CBr)c2ccccc2Br)c1 127193636 HPCLELYJDVXMDV-UHFFFAOYSA-N 463.007 5.425 50 10 JKGE Fc1cc(Cl)ccc1[C@H](Br)c1cc(Br)c(Br)s1 128233584 BZTHSXDJVVIUGJ-JTQLQIEISA-N 463.391 6.550 50 10 JKGE Fc1c(F)c(F)c([C@H](Cl)c2cc(Br)c(Br)s2)c(F)c1F 128286370 UGPZFFVXWUCWAI-RXMQYKEDSA-N 456.455 6.297 50 10 JKGE Cc1cc(Br)c([C@H](Br)c2cccc(Cl)c2Cl)cc1Br 128792228 LOFRHADPAWSMNN-CYBMUJFWSA-N 487.844 7.311 50 10 JKGE CCCCCCCCC[C@H](Br)c1cc(Br)c(C)cc1Br 128792662 SYRUVSQIXZASOC-HNNXBMFYSA-N 469.099 8.097 50 10 JKGE CN([C@@H]1CCCC[C@@H]1Br)S(=O)(=O)c1c(Cl)cc(Br)cc1Cl 158197957 JBRPUIKZHSJKHW-JOYOIKCWSA-N 480.049 5.083 50 10 JKGE CCCOc1ccccc1/C=C(/C#N)C(=O)Nc1ccc(-c2nc3ccc(C)cc3s2)cc1 206985134 XQDZHGUNLHFKJX-PGMHBOJBSA-N 453.567 6.606 50 10 JKGE CCOC(=O)c1c(NC(=O)/C(C#N)=C\c2ccc(-c3cccc(F)c3)o2)sc2c1CC[C@H](C)C2 209398047 PPASEOGMQLNHPY-SUCHYCSPSA-N 478.545 5.994 50 10 JKGE CCCCNc1ncc2c(Br)cn(C3CCC(O[Si](C)(C)C(C)(C)C)CC3)c2n1 223739175 PURHFKDYLFBYCY-UHFFFAOYSA-N 481.555 6.911 50 10 JKGE Cc1cc([C@H](Br)c2cc(Cl)cc(Br)c2)sc1Br 235858312 COMOROUKNDUXSZ-LLVKDONJSA-N 459.428 6.719 50 10 JKGE Clc1cc2c(c([C@H](Br)c3cc(Br)cc(Br)c3)c1)OCC2 236084249 YZFVNTZOACKDAX-CQSZACIVSA-N 481.409 6.284 50 10 JKGE COc1cc(C=NNC(=O)c2cc3c(ccc4ccccc43)o2)ccc1OCc1cccc(C)c1 252640237 YRVPOIYGQVANMZ-UHFFFAOYSA-N 464.521 6.246 50 10 JKGE COc1ccc(-c2n[nH]cc2C=NNC(=O)c2sc3cccc(Br)c3c2Cl)cc1 254398688 NREOQRHAHYNWNV-UHFFFAOYSA-N 489.782 5.480 50 10 JKGE CCCCCCCCOc1ccc(-c2cc(C(=O)NN=Cc3ccccc3C(F)(F)F)[nH]n2)cc1 254677451 JGYMREWICHAONB-UHFFFAOYSA-N 486.538 6.599 50 10 JKGE CCCCCCCCc1ccc(-c2ccc(C(C)=NNC(=O)c3ccc4[nH]c(C)c(C)c4c3)cc2)cc1 254748837 IXKDBGPRAUNWBQ-UHFFFAOYSA-N 493.695 8.509 50 10 JKGE Cc1cccc(Br)c1[C@@H](Cl)c1cc(I)cc2c1OCC2 313510988 KCTMVVYURQEEGG-HNNXBMFYSA-N 463.540 5.625 50 10 JKGE COc1c(C)cc(Br)c(C)c1[C@@H](Br)c1cnn(C)c1Br 381818425 TZVVLPIBIPFPAJ-LBPRGKRZSA-N 466.999 5.055 50 10 JKGE CC(C)(C)OC(=O)N1C[C@H](CI)[C@H](c2ccc(Cl)cc2Cl)C1 382693123 OCHIWQHOTVZYRQ-GXFFZTMASA-N 456.151 5.379 50 10 JKGE CC(C)(CBr)CCCNC(=O)c1cc(Br)c(Br)s1 393408364 FXHXYSRTWBHVGG-UHFFFAOYSA-N 462.045 5.204 50 10 JKGE Clc1ccc(CBr)c(-c2c(Cl)c(Cl)c(Cl)c(Cl)c2Cl)c1 514252426 BKFIYKWCYVSHCL-UHFFFAOYSA-N 453.805 8.169 50 10 JKGE COCc1cc(Br)c([C@@H](Br)c2ccc(Br)cc2OC)s1 688063219 ZHKVTUCTSUVXMN-ZDUSSCGKSA-N 485.035 5.912 50 10 JKGE COc1cc(C=NNC(=O)c2ccc(C)cc2)cc(Br)c1OCc1ccccc1Cl 1083931844 OUGHVYCPCGDTDG-UHFFFAOYSA-N 487.781 5.762 50 10 JKGE CC[C@H]1CCCC1=NNC(=O)COc1ccc2cc(Br)ccc2c1Br 1084036292 KNTCGENDVCKSBF-LBPRGKRZSA-N 468.189 5.426 50 10 JKGE O=C(CCCNc1ccc(Br)cc1)NN=Cc1cccc(Oc2ccccc2)c1 1084180410 TYCRFAUKMWYYQA-UHFFFAOYSA-N 452.352 5.584 50 10 JKGE Cc1ccccc1OCC(=O)NN=C1C(=O)N(C(c2ccccc2)c2ccccc2)c2ccccc21 1084468305 QAEGQDQHFQHGMY-UHFFFAOYSA-N 475.548 5.031 50 10 JKGE O=C(NN=Cc1ccc(Sc2nnc(-c3ccccc3)n2-c2ccccc2)o1)c1ccc(F)cc1 1084653392 YDXPXEQMLRFWSW-UHFFFAOYSA-N 483.528 5.582 50 10 JKGE CCCCOc1ccc([C@@H]2CN(C(=O)OC(C)(C)C)C[C@H]2CI)cc1 1614614812 KCMXXUBTPPIBSV-AEFFLSMTSA-N 459.368 5.251 50 10 JKGE Cc1c(C(=O)Nc2ccc(Oc3ccccc3)cc2)oc2c1C(=NNC(=O)c1ccc(F)cc1)CCC2 1772745429 ZGABBWSKBQMVJD-UHFFFAOYSA-N 497.526 6.242 50 10 JKGE N#CC1=C(N)Oc2c(c(-c3ccccc3)nn2Cc2ccc(F)cc2)[C@H]1c1cccc(Cl)c1 1865683099 FYMFFIYBBFBNDN-QFIPXVFZSA-N 456.908 5.609 50 10 JKGE COc1ccc(-n2nc(-c3ccccc3)c3c2OC(N)=C(C#N)[C@@H]3c2ccc(Cl)cc2)cc1 1865683157 HEUVIDISAJEWEQ-QFIPXVFZSA-N 454.917 5.419 50 10 JKGE CCCc1nn(Cc2ccccc2Cl)c2c1[C@@H](c1ccc(Cl)c(Cl)c1)C(C#N)=C(N)O2 1865685852 NJQSXRSUQQGMGP-FQEVSTJZSA-N 473.791 6.062 50 10 JKGE N#CC1=C(N)Oc2c(c(-c3ccccc3)nn2Cc2ccccc2Cl)[C@H]1c1ccccc1Cl 1865686301 UJLJLOWOUWMEPC-QFIPXVFZSA-N 473.363 6.123 50 10 JKGE COc1ccc(-c2nn(CC(C)C)c3c2[C@H](c2c(Cl)cccc2Cl)C(C#N)=C(N)O3)cc1 1865686610 XQZZBWLSTWTBCE-IBGZPJMESA-N 469.372 5.740 50 10 JKGE CCOc1cccc([C@H]2C(C#N)=C(N)Oc3c2c(C(F)(F)F)nn3Cc2ccccc2Cl)c1 1865690473 SGHMSEFTESFHSA-SFHVURJKSA-N 474.870 5.220 50 10 JKGE CCCCCOc1ccc([C@@H]2C(C#N)=C(N)Oc3c2c(C)nn3Cc2cccc(F)c2)cc1OC 1865695404 OHDMPXMIAZYGRV-RUZDIDTESA-N 476.552 5.175 50 10 JKGE CCc1nn(Cc2ccccc2)c2c1[C@@H](c1ccccc1OCc1ccc(Cl)cc1)C(C#N)=C(N)O2 1865704185 PPYONAHNQMKNIP-SANMLTNESA-N 496.998 5.944 50 10 JKGE COc1ccc(-c2ccc(C(=O)NNC(=O)c3cc(C(F)(F)F)cc(C(F)(F)F)c3)c(C)n2)cc1 1865756859 AGXVRRGYPFSOCL-UHFFFAOYSA-N 497.395 5.178 50 10 JKGE Cc1nc(-c2ccc(Cl)cc2Cl)ccc1C(=O)NNC(=O)c1ccc(Cl)c([N+](=O)[O-])c1 1865759482 CDQKGZXSJGWNML-UHFFFAOYSA-N 479.707 5.000 50 10 JKGE N#CSc1ccc(NC(=O)[C@H](Cc2ccccc2)NC(=O)CCCC(=O)c2cccs2)cc1 1866796121 VHGJFETUTGTJDW-NRFANRHFSA-N 477.611 5.040 50 10 JKGE COc1cccc(-c2csc(/C(C#N)=C(\O)c3ccccc3I)n2)c1 1872744507 VTOGXWPAPPLVPT-SDXDJHTJSA-N 460.296 5.373 50 10 JKGE CCCOc1ccc(-c2csc(/C(C#N)=C(\O)COc3cc(Cl)ccc3Cl)n2)cc1 1872749353 NRQOPMPPOGSHHU-JZJYNLBNSA-N 461.370 6.777 50 10 JKGE N#C/C(=C(/O)CNC(=O)c1ccc(Cl)cc1Cl)c1nc(-c2ccc(F)c(F)c2)cs1 1872751539 MLQZVLXQJDNUJD-AQTBWJFISA-N 466.296 5.618 50 10 JKGE CCCCc1ccc(N2C[C@@H](/C(O)=C(\C#N)c3nc(-c4ccc5c(c4)OCO5)cs3)CC2=O)cc1 1872752827 UZGVMZZBIAFDJF-KOAPHTDDSA-N 487.581 5.727 50 10 JKGE COc1c(C)cc(C)cc1-c1csc(/C(C#N)=C(\O)COc2ccc(C)cc2C(C)(C)C)n1 1872755070 XEKSKLGWQAJKJC-ATJXCDBQSA-N 462.615 6.913 50 10 JKGE COc1cc(Cl)c(C)cc1-c1csc(/C(C#N)=C(\O)c2cc(OC)c(OC)c(OC)c2)n1 1872755344 JADLXFNUWIAGKG-QNGOZBTKSA-N 472.950 5.756 50 10 JKGE Cc1ccc(-c2csc(/C(C#N)=C(\O)c3ccc4c(c3)C(=O)N(Cc3ccccc3)C4=O)n2)cc1C 1872756666 UWLWAXUZUVIEEB-LCUIJRPUSA-N 491.572 6.173 50 10 JKGE COc1cc(/C(O)=C(\C#N)c2nc(-c3ccc(OC)c4ccccc34)cs2)cc(OC)c1OC 1872758537 FTYQWZAJBGADKV-CLCOLTQESA-N 474.538 5.948 50 10 JKGE CCOc1cc(/C=C(\C#N)c2nc(-c3ccc(F)cc3F)cs2)ccc1OCc1ccccc1 1872784353 MFEXEDSCJAXNAC-UDWIEESQSA-N 474.532 7.130 50 10 JKGE CCOc1ccc(-c2csc(/C(C#N)=C/c3ccc(OCC)c(OC)c3)n2)c(OCC)c1 1872793491 CMNFXEQECLXTNH-LDADJPATSA-N 450.560 6.079 50 10 JKGE CCCCCCOc1ccc(/C=C(\C#N)c2nc(-c3ccc(OC)cc3OC)cs2)cc1OC 1872793725 PWADTFCXIWZVSY-XSFVSMFZSA-N 478.614 6.859 50 10 JKGE CCn1nc(C)c(Br)c1CN(Cc1ccccc1)C1(CBr)CCC1 1915740503 GYLCARORWIEBRG-UHFFFAOYSA-N 455.238 5.294 50 10 JKGE Brc1cc(Br)c([C@H](Br)[C@@]23CCCC[C@H]2CCC3)s1 1922893274 FHMQNLCUTMHMFY-QCZZGDTMSA-N 457.069 7.070 50 10 JKGE Brc1ccc([C@@H](Br)c2sc(Br)cc2Br)o1 1922920768 KMNOLSFDNQNTSP-MRVPVSSYSA-N 479.813 6.113 50 10 JKGE Clc1c(Br)sc(Br)c1[C@@H](Cl)[C@H]1CCc2ccccc2C1 1923065824 HUJVVIMOGUQDHT-JQWIXIFHSA-N 455.042 7.012 50 10 JKGE Clc1c(Br)sc(Br)c1[C@@H](Br)C[C@@H]1CC[C@@H]2C[C@H]12 1923066896 WKEXTZZUCQLLHD-KVPKETBZSA-N 463.460 6.799 50 10 JKGE C[C@@H](c1ccncc1Br)[C@H](Cl)c1cc(Br)cc(Br)c1 1924042993 HAKLAKUEZGCNMH-RTHLEPHNSA-N 468.414 6.453 50 10 JKGE Cc1ccsc1[C@@H](Cl)c1c(Br)sc(Br)c1Br 1924580518 SKIDTYBYZKLJSL-ZETCQYMHSA-N 465.457 6.734 50 10 JKGE CCC(F)(F)[C@H](Br)c1c(Br)sc(Br)c1Br 1924609241 USDDGXIZDOLDFE-RXMQYKEDSA-N 491.815 6.517 50 10 JKGE CCO[C@@H]1C[C@H]1[C@@H](Br)c1c(Br)sc(Br)c1Br 1924609363 WLDGERLELOWCOO-WYDQCIBASA-N 497.872 5.897 50 10 JKGE CC1(C)[C@H]2CC[C@@H](C2)[C@@H]1[C@@H](Cl)c1c(Br)sc(Br)c1Br 1924615398 AEVFKSXSIDQUIW-NKDUMWKVSA-N 491.514 7.388 50 10 JKGE Cn1ncc([C@H](Cl)c2c(Cl)sc(Br)c2Cl)c1I 1925599859 PATRGPIOKHBZQD-YFKPBYRVSA-N 486.387 5.484 50 10 JKGE FC(F)(F)C1([C@@H](Br)c2cc(Br)sc2Br)CCC1 1940743464 PWVPUVLNMUWHHY-ZETCQYMHSA-N 456.947 6.442 50 10 JKGE CCc1sc(Br)cc1[C@H](Br)c1ccc(OCc2ccccc2)cc1 1943030614 NSLJCKMURZDVBN-HXUWFJFHSA-N 466.238 7.136 50 10 JKGE Cc1c(Br)ccc([C@@H](Cl)c2cscc2OCc2ccccc2)c1Br 2024280444 YTLKKASYJVBIIP-LJQANCHMSA-N 486.656 7.489 50 10 JKGE CCc1sc(Br)cc1[C@@H](Br)c1ccc(Br)c(Cl)c1 2030217942 FLMUEQYESBRADV-ZDUSSCGKSA-N 473.455 6.973 50 10 JKGE COc1sc([C@H](Br)c2ccc(Br)cc2F)cc1Br 2034630659 XVMWBALIEKEAHN-LLVKDONJSA-N 458.972 5.905 50 10 JKGE C[C@@H]1CN(Cc2ccccc2)CCN(c2c(CBr)ccc(Br)c2Cl)C1 2036849375 UIUVOKKGHWKQCK-OAHLLOKOSA-N 486.679 5.956 50 10 JKGE Cc1cc(Cl)c(Br)cc1[C@@H](Cl)c1ccccc1I 2082381192 CQAJFUZYCMOUPJ-AWEZNQCLSA-N 455.948 6.344 50 10 JKGE Cc1ccc([C@H](Br)c2ccc(Br)cc2I)c(C)c1 2086148889 HJCGNRHGVSLKIW-HNNXBMFYSA-N 479.981 6.155 50 10 JKGE COc1ccc([C@H](Br)c2ccc(Br)cc2I)cc1 2086149438 NXGNXOIUUTVQCY-AWEZNQCLSA-N 481.953 5.547 50 10 JKGE CCc1sc(Br)cc1[C@H](Br)c1c(F)cc(Br)cc1F 2090680164 DDXXGBSYUCFRRN-ZDUSSCGKSA-N 474.990 6.598 50 10 JKGE Brc1cc([C@H](Br)[C@H]2C[C@H]2C2CCCCCC2)c(Br)s1 2135275850 AWYFKJGCKLGYRW-COPLHBTASA-N 471.096 7.316 50 10 JKGE Cc1nsc(Br)c1[C@H](Br)c1c(Br)cc(F)c(Cl)c1F 2136960915 HOWKNIFFCYZAJA-QMMMGPOBSA-N 496.396 6.392 50 10 JKGE Cc1c(Br)ccc([C@H](Br)CC(C2CC2)C2CC2)c1Br 2138852572 SOUCXPMVDBLQEG-OAHLLOKOSA-N 451.040 6.782 50 10 JKGE C[C@H](Cl)c1nc2cncc(Br)c2n1-c1ccccc1I 2151778976 DCCMBTNTZPXIDA-QMMMGPOBSA-N 462.516 5.087 50 10 JKGE CCc1ncncc1COc1c(Br)cc(CBr)cc1Br 2178822504 YCVQQXNNLDWWHF-UHFFFAOYSA-N 464.983 5.038 50 10 JKGE COc1cc(CBr)ccc1S(=O)(=O)N(Cc1ccccc1)C1CCCCC1 2179859466 DWOSXQZQZPQGLP-UHFFFAOYSA-N 452.414 5.114 50 10 JKGE C[C@H](Br)CCCc1cn(-c2c(Br)cc(Cl)cc2Br)nn1 2189284719 NFDAKKPQQDKUBF-QMMMGPOBSA-N 486.433 5.552 50 10 JKGE Brc1ccc(Br)c([C@H](Br)[C@@H]2C[C@H]2C2CCCCCC2)c1 2199986188 DZICBRPAHYSMQZ-JJRVBVJISA-N 465.067 7.254 50 10 JKGE Clc1sc(Br)c(Cl)c1[C@H](Br)[C@@H]1C[C@H]1C1CCCCCC1 2199988018 KCZSVXGQFPSERF-HOSYDEDBSA-N 461.090 7.860 50 10 JKGE COc1c(C)cc(Br)cc1[C@H](Br)c1ccc(Cl)cc1Br 2206565083 GDHQEMHHDJICJX-CQSZACIVSA-N 483.425 6.666 50 10 JKGE Cc1sc([C@@H](Cl)c2c(Cl)sc(Br)c2Cl)c(C)c1Br 2218964999 LZIKYOGMQQWFGQ-ZETCQYMHSA-N 469.478 7.586 50 10 JKGE COc1ccc([C@@H](Br)c2sccc2I)cc1C(C)C 2224903568 PLDWRJITGROZMS-CQSZACIVSA-N 451.167 5.969 50 10 JKGE Brc1ccc(Br)c([C@H](Br)[C@H]2C[C@H]3CCC[C@H](C3)C2)c1 2225311209 MOJDLVKCUXZFSL-AZKPJATDSA-N 451.040 6.864 50 10 JKGE Fc1ccc(Br)cc1[C@H](Cl)c1cc(Br)c(Br)cc1F 2225633099 HFIOCPLUYZEEFQ-ZDUSSCGKSA-N 475.352 6.581 50 10 JKGE Brc1cc(Br)cc(C[C@@H](Br)C2CC(Br)C2)c1 2246002862 ZAFUNRWRXYPVQF-YPXMJKPUSA-N 475.844 5.691 50 10 JKGE Fc1cc([C@@H](Br)c2cc(Cl)c(Br)s2)c(F)cc1Br 2255679005 DWWHKPOPASORLP-SNVBAGLBSA-N 481.381 6.689 50 10 JKGE Fc1c(Cl)cccc1C[C@H](Br)c1ccc(Cl)c(I)c1 2268324264 ZUWSFRVKTPJFBY-JTQLQIEISA-N 473.938 6.416 50 10 JKGE Fc1cc(Br)c(F)c(Br)c1[C@H](Br)[C@@H]1CCC12CCC2 2272723519 GILYCOQSABBAMF-WRWORJQWSA-N 458.966 6.506 50 10 JKGE Brc1cc(Br)cc(C[C@H](Br)[C@H]2C[C@@H]3CCC[C@@H]3C2)c1 2277954568 YAOVUNUOAFQRNE-ZWUHOBOKSA-N 451.040 6.344 50 10 JKGE CC(C)(C)C1([C@H](Br)Cc2cc(Br)cc(Br)c2)CCC1 2277954980 GWYZKHPHHFGKPF-CQSZACIVSA-N 453.056 6.734 50 10 JKGE Cc1ccc(Br)cc1[C@@H](Br)c1cc2sc(Br)cc2s1 2278103822 VULDFVYETYDAGV-CQSZACIVSA-N 481.072 7.281 50 10 JKGE Fc1cc(Br)c([C@H](Cl)c2c(F)cccc2I)c(F)c1F 2282892713 DSKJZLSQWSULFO-NSHDSACASA-N 479.436 5.938 50 10 JKGE COCc1cc(Br)c([C@@H](Br)c2cc(Br)c(F)cc2C)s1 2285940335 XLEJSMFFCKCJCT-ZDUSSCGKSA-N 487.026 6.351 50 10 JKGE Fc1cc(Cl)c([C@H](Br)c2ccc(F)c(Br)c2F)cc1Br 2285985169 FCEVWDNHIUGSGA-LLVKDONJSA-N 493.342 6.767 50 10 JKGE COc1cc(C=CC(=O)Cl)cc(Br)c1OCc1ccc(Cl)c(Cl)c1 2293940758 AMNBWBOUVBSQDQ-UHFFFAOYSA-N 450.543 6.122 50 10 JKGE FC1(F)CC[C@@]2(C1)[C@@H](Oc1ccc(Br)cc1Br)C[C@H]2Br 2295115319 OTCAJYIIJZVHOQ-AGIUHOORSA-N 474.965 5.932 50 10 JKGE Fc1ccc([C@@H](Br)Cc2cc(Br)cc(Br)c2)c(F)c1Cl 2295278357 AWWXQWSRJJFVMQ-NSHDSACASA-N 489.379 6.822 50 10 JKGE Fc1ccc(Cl)c(F)c1[C@@H](Br)Cc1cc(Br)cc(Br)c1 2295332416 WRHAVQSOBZLFKX-JTQLQIEISA-N 489.379 6.822 50 10 JKGE COc1ccc(C[C@H]2SC(=C(C#N)C(=O)Nc3ccc(C)cc3)N(c3ccc(C)c(C)c3)C2=O)cc1 2296507045 QOVLCFUCSQMTIO-AREMUKBSSA-N 497.620 5.685 50 10 JKGE N#CC(=Cc1ccc(F)cc1)c1nc(-c2cc3cc(Br)ccc3oc2=O)cs1 2296801652 ZOIFESODWBGLFD-UHFFFAOYSA-N 453.292 5.882 50 10 JKGE C[C@H](C[C@H](Br)c1ccc(OCc2ccccc2)cc1Br)C(C)(C)C 2299496535 NWORPDZKNWVUJW-BEFAXECRSA-N 454.246 7.536 50 10 JKGE COC1(C[C@H](Br)c2ccc(OCc3ccccc3)cc2Br)CCC1 2299497758 SCCBHTXZHUKSDU-IBGZPJMESA-N 454.202 6.423 50 10 JKGE C[C@]1([C@H](Br)c2cc(Br)ccc2OCc2ccccc2)COCCO1 2299498475 UAJBYCXEZVBCHE-RTBURBONSA-N 456.174 5.270 50 10 JKGE Brc1cc(OCc2ccccc2)ccc1[C@H](Br)C[C@H]1CC[C@@H]2C[C@@H]21 2299535851 TWTQZOFXOCEWGN-YAJHFMINSA-N 450.214 6.900 50 10 JKGE COc1c([C@H](Br)c2sc(Cl)cc2I)csc1C 2300955409 LVCWFLNITYCXND-VIFPVBQESA-N 463.587 5.869 50 10 JKGE Fc1cc([C@@H](Cl)c2sc(Cl)cc2I)ccc1Br 2301085945 JPRLJGBZYZBGNX-SNVBAGLBSA-N 465.940 6.236 50 10 JKGE CCOc1ccc(C=CC(=O)NNC(=O)c2ccc(NC(=O)c3ccc(C(C)(C)C)cc3)cc2)cc1 2313890654 UGUSIQIPCLIHJP-UHFFFAOYSA-N 485.584 5.110 50 10 JKGE COC(=O)c1c(NC(=O)C(C#N)=Cc2ccc(-c3ccc(C)cc3[N+](=O)[O-])o2)sc2c1CCCC2 2314572162 UVTVEZSIPOUWFF-UHFFFAOYSA-N 491.525 5.436 50 10 JKGE CCCCOc1ccc(C=C(C#N)C(=O)Nc2ccc(Cl)cc2C(=O)c2ccccc2)cc1 2314734540 CYULQHFVBDSWBB-UHFFFAOYSA-N 458.945 6.296 50 10 JKGE Cc1cc(Br)c(F)c(Br)c1[C@H](Cl)c1cc(Br)sn1 2317396221 QCOUGTHJTCKYOO-SNVBAGLBSA-N 478.406 6.206 50 10 JKGE Cc1cc(Br)c(F)c(Br)c1[C@H](Br)c1ccsc1Cl 2317402895 JDOJVCKOZANODW-SECBINFHSA-N 477.418 6.858 50 10 JKGE N#CC(=CNc1cc(C(F)(F)F)cc(C(F)(F)F)c1)C(=O)Nc1cc(Cl)ccc1Cl 2324388902 GXWPEWUQNQRFPL-UHFFFAOYSA-N 468.184 6.489 50 10 JKGE COC(=O)c1c(NC(=O)C(C#N)=Cc2ccc(OC)cc2)sc2c1CC[C@H](C(C)(C)C)C2 2329622306 KJJWLSWZHFCQLS-KRWDZBQOSA-N 452.576 5.240 50 10 JKGE Brc1ccc(Br)c(CN2CC[C@H]3C[C@H](Br)CC[C@H]32)c1 2330620625 FPCJUPOJNQSIRB-PSOPSSQASA-N 452.028 5.350 50 10 JKGE COc1cc2nc(C(C#N)=Cc3ccc(OCc4ccccc4F)c(OC)c3)nc(O)c2cc1OC 2331042570 OBCRJHKOZYYGKY-UHFFFAOYSA-N 487.487 5.143 50 10 JKGE COC(=O)c1ccc(C(C#N)=Cc2ccc(OC(=O)c3ccc(Cl)cc3Cl)c(OC)c2)o1 2331048491 OLWQLQJYOGXSRJ-UHFFFAOYSA-N 472.280 5.665 50 10 JKGE N#CC(=C(O)CCc1nc2ccccc2[nH]c1=O)c1nc(-c2cccc(Br)c2)cs1 2331279037 ZVICMDWATSEXQN-UHFFFAOYSA-N 479.359 5.235 50 10 JKGE CCCCc1ccc(N2C[C@@H](C(O)=C(C#N)c3nc(-c4cc(C)ccc4OC)cs3)CC2=O)cc1 2331323631 MRHWDPMGTDMDRW-FQEVSTJZSA-N 487.625 6.316 50 10 JKGE CCCOc1ccc(-c2csc(C(C#N)=Cc3ccc(O)c(OCC)c3)n2)cc1OCCC 2331437674 BDDGOJIBEBDAIU-UHFFFAOYSA-N 464.587 6.556 50 10 JKGE CC(C)c1ccc(-c2csc(C(C#N)=Cc3ccc(OCc4ccccc4Cl)cc3)n2)cc1 2331457884 RVYWBMXCQUDHQU-UHFFFAOYSA-N 471.025 8.230 50 10 JKGE Brc1cc(OCc2ccccc2)ccc1[C@@H](Br)c1cc2ccccc2s1 2336052327 ZXBUGZJLIDBIGA-JOCHJYFZSA-N 488.244 7.727 50 10 JKGE CC1([C@H](Br)c2c(Cl)cc(Br)c(F)c2Br)CC(F)(F)C1 2337082601 NXHQSMGQNDSJLW-SNVBAGLBSA-N 485.363 6.876 50 10 JKGE CCCc1sc(Br)cc1[C@@H](Cl)c1ccc(I)c(Cl)c1 2338025580 JMTHWANLNBZLQT-AWEZNQCLSA-N 490.031 7.049 50 10 JKGE ClCc1cccc(OCc2ccc(Cl)cc2I)c1Br 2341026920 FTKLIANXTMIDKH-UHFFFAOYSA-N 471.947 6.025 50 10 JKGE Cc1ccc([C@@H](CI)OCc2cccc(I)c2)cc1 2341622095 BGAIZQHTTDUXCO-MRXNPFEDSA-N 478.111 5.293 50 10 JKGE CCc1cc(Br)c(OC)c([C@@H](Br)c2nscc2Br)c1 2353046530 VKBDGONAIWCRMO-LLVKDONJSA-N 470.024 5.723 50 10 JKGE Brc1ccc(OCc2ccccc2)c([C@H](Br)[C@@H]2CC[C@H]3CCCC[C@@H]3C2)c1 2361176762 HCMNIDCYWIZBJL-DBYOASNMSA-N 492.295 8.071 50 10 JKGE FC(F)(F)[C@@H]1C[C@H](Br)CCN1Cc1cccc(Br)c1Br 2361420743 MQWUQGPOMMMPLS-KOLCDFICSA-N 479.960 5.502 50 10 JKGE Fc1c(Br)cc(Cl)c([C@@H](Br)[C@H]2CC[C@@H]3C[C@H]2CO3)c1Br 2362232187 KSKGDQOLWMPRES-MEUQOTJWSA-N 491.420 6.255 50 10 JKGE FC(F)(F)C12CC([C@@H](Br)c3ccc(Br)cc3Br)(CO1)C2 2363912780 JEYOMOZVSJJESG-UNXYVOJBSA-N 478.928 5.759 50 10 JKGE CCn1cc([C@H](Cl)c2c(C)cc(Br)c(F)c2Br)nc1Br 2365225822 NSKVCDNISOFCAS-NSHDSACASA-N 489.408 5.966 50 10 JKGE Fc1cc([C@H](Br)c2ccc(Cl)cc2I)c(F)c(F)c1F 2365597265 FCGDUXXLUBWLSA-SNVBAGLBSA-N 479.436 5.985 50 10 JKGE Fc1cc([C@H](Br)c2cc(C3CC3)c(Br)s2)c(Cl)cc1Cl 2379733199 CLVMJKOZEVOCMG-ZDUSSCGKSA-N 459.005 7.318 50 10 JKGE O=C(Nc1ccccc1C(=O)N/N=C/c1cccc(Cl)c1Cl)c1cccc(Br)c1 3662539 VHDIARUKBWUEAF-BRJLIKDPSA-N 491.172 5.772 50 10 JKGE CCCCCCOc1ccc(C(=O)NC(=S)NNC(=O)C(c2ccccc2)c2ccccc2)cc1 14029102 UGCHOLGBKRBFNK-UHFFFAOYSA-N 489.641 5.113 50 10 JKGE COc1ccc(/C(C#N)=C\c2ccc(OC(=O)c3c(OC)cccc3OC)c(OC)c2)cc1OC 31902050 KXQWNKJCHXZEOY-UYRXBGFRSA-N 475.497 5.013 50 10 JKGE COC(=O)c1ccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4ccc(Cl)cc4Cl)ccc32)cc1 38683380 FBFVTKANHZQESH-QFIPXVFZSA-N 495.318 5.217 50 10 JKGE CCCOc1cccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)[C@@H](C)Oc4ccc(CC)cc4)ccc32)c1 38684487 ZJSFIQUJQAACCH-WHLCRQNOSA-N 498.579 5.629 50 10 JKGE Cc1cc(C)cc(Nc2ncnc(NNC(=O)C(c3ccccc3)c3ccccc3)c2[N+](=O)[O-])c1 40583064 TYWDHEZYQZNBMU-UHFFFAOYSA-N 468.517 5.020 50 10 JKGE CCCCOc1ccccc1/C=N/NC(=O)CSc1nc(-c2ccc(Cl)cc2)cs1 40924862 XVXZHPJWIMMMMA-ZMOGYAJESA-N 460.024 5.885 50 10 JKGE C=CCOc1ccc(/C=N/NC(=O)c2ccc(-n3c(C)ccc3-c3ccccc3)cc2)cc1OCC 59304129 GQSRELUJPCLSEN-NJZRLIGZSA-N 479.580 6.180 50 10 JKGE BrC[C@@H](CCOc1cccc(Br)c1)Cc1cccc(Br)c1 97184632 FCVNTHAPSWPCHQ-AWEZNQCLSA-N 477.034 6.234 50 10 JKGE CCc1ccc(N2C(=O)[C@@H](Cc3cccc(C)c3)S/C2=C(/C#N)C(=O)Nc2ccccc2)cc1 101244336 JFTRMBPXUABNTQ-IEQIIXMPSA-N 467.594 5.622 50 10 JKGE COc1cc(/C=C(/C#N)C(=O)Nc2nc3ccccc3s2)ccc1OCCOc1ccccc1C 102466565 RCHTYIFFPHACMS-HKWRFOASSA-N 485.565 5.617 50 10 JKGE COC(=O)c1cc(N/C=C(\C#N)c2nc(-c3ccc(Cl)c(Cl)c3)cs2)cc(C(=O)OC)c1 102694378 UCDWBXHFMSKFDQ-XNTDXEJSSA-N 488.352 5.667 50 10 JKGE Clc1ccc([C@H](Cl)c2cc(Br)c(Br)s2)c2ccccc12 128569825 GSCQNMUQJAUHNP-AWEZNQCLSA-N 451.010 7.408 50 10 JKGE C[C@H](Cl)c1nc2cc(F)c(Br)cc2n1-c1ccccc1I 158512357 HBVADOOLMGVCMJ-QMMMGPOBSA-N 479.518 5.832 50 10 JKGE CC1(C)Cc2cc([C@H](Br)c3cc(Br)ccc3Br)ccc2O1 161099670 CRBLUNDABFYAGP-INIZCTEOSA-N 475.018 6.409 50 10 JKGE BrCc1cc(Br)c(OCCC[C@H]2CCCO2)c(Br)c1 232484578 SFTVVNPGLJIITK-LLVKDONJSA-N 457.000 5.445 50 10 JKGE CC[C@H](Br)c1nnc(-c2cc(Br)ccc2I)s1 233988768 QWDYWIBKPQMNCH-QMMMGPOBSA-N 487.986 5.418 50 10 JKGE C[C@@H](c1ccncc1)[C@H](Br)c1cc(Br)ccc1I 235575830 LGLJDKZILSZECS-XPTSAGLGSA-N 480.969 5.688 50 10 JKGE CCC(=NNC(=O)c1cc(-c2cccc(C)c2)nc2ccccc12)c1ccc(Br)s1 252599433 DIYIBJXGUKJEMB-UHFFFAOYSA-N 478.415 6.578 50 10 JKGE CCCOc1ccc(C(=O)NN=Cc2c(OC(=O)c3ccc(OC)cc3)ccc3ccccc23)cc1 254431860 CIXMLTXOCMDALO-UHFFFAOYSA-N 482.536 5.620 50 10 JKGE CC(=NNC(=O)c1cc(-c2ccccc2Cl)nc2ccccc12)c1ccc(NS(C)(=O)=O)cc1 254812877 DWBNLXUAJNIYJI-UHFFFAOYSA-N 492.988 5.081 50 10 JKGE O=C(NN=Cc1ccccc1Br)c1ccc(CSc2cccc3cccnc23)cc1 254857852 FTSFQEOVKVEPMA-UHFFFAOYSA-N 476.399 6.054 50 10 JKGE COc1c(C)cc(Br)c(C)c1[C@@H](Br)c1coc(Br)c1 378916524 MXJJIQSJBSJRFT-ZDUSSCGKSA-N 452.968 5.914 50 10 JKGE Clc1ccc([C@H]2CN(Cc3ccccc3)C[C@@H]2CI)cc1Br 382680823 CGBLXCSLXPJCHS-JKSUJKDBSA-N 490.610 5.753 50 10 JKGE Fc1cc(Br)c([C@@H](Br)c2ccc(OCc3ccccc3)cc2)c(F)c1F 398511163 HIHCTCGJIVVUHV-SFHVURJKSA-N 486.125 6.930 50 10 JKGE Clc1ccc(I)c(C[C@]2(CBr)CCO[C@H]2C2CC2)c1 405539379 QUTXWDILCKSGEH-GJZGRUSLSA-N 455.561 5.067 50 10 JKGE CN(C(=O)OC(C)(C)C)c1ccccc1[C@H]1c2ccccc2CCN1CCO[Si](C)(C)C(C)(C)C 616678396 HJVIEMLJWPEXMZ-AREMUKBSSA-N 496.768 7.027 50 10 JKGE COCc1cc(Br)c([C@H](Cl)c2cc(Br)c(Br)s2)s1 688115859 RSMJOOZMSSSIQT-SECBINFHSA-N 495.483 6.572 50 10 JKGE Fc1ccc([C@@H](Br)c2cc(Br)cc(Br)c2)c(F)c1Cl 689652328 OQYXFVIEQIFSFQ-NSHDSACASA-N 475.352 6.628 50 10 JKGE BrCC(CBr)(Cc1ccc(Br)cc1)C1CCCCC1 696829875 RHXDTIDXDDUDKM-UHFFFAOYSA-N 453.056 6.348 50 10 JKGE Fc1ccc(CC(CBr)(CBr)C2CCCCC2)c(Br)c1 696837855 PAXWZEDKXKBQCU-UHFFFAOYSA-N 471.046 6.487 50 10 JKGE O=C(NC[C@H](Br)c1ccccc1)c1scc(Br)c1Br 705420012 QBEUELJLYWMATA-VIFPVBQESA-N 468.008 5.139 50 10 JKGE Cc1ccc([C@H](Cl)c2cc(Br)ccc2Br)c(C)c1Br 719576800 PFFUYPNYJHCURU-HNNXBMFYSA-N 467.426 6.919 50 10 JKGE Fc1cccc([C@@H](Cl)c2cc(Cl)c(Cl)c(Cl)c2Cl)c1I 721717357 ANWUIBNURJULEM-SECBINFHSA-N 484.350 7.372 50 10 JKGE CC(C)(c1ccccc1)c1ccc(OCC(=O)NN=Cc2ccc3cc4ccccc4cc3c2)cc1 1083953844 RUIBOOKIHOJNMK-UHFFFAOYSA-N 472.588 6.848 50 10 JKGE O=C(CSc1c(Cl)c(Cl)c(Cl)c(Cl)c1Cl)NN=Cc1ccc(C(=O)O)cc1 1083976617 PXLZFJJVTZRADQ-UHFFFAOYSA-N 486.591 5.894 50 10 JKGE CCCCCCCCCCOc1ccc(C(=O)NN=Cc2cc(Br)ccc2OC)cc1 1084390698 AWDYHTYUDJJUBQ-UHFFFAOYSA-N 489.454 6.741 50 10 JKGE COc1ccc(NC(=O)/C(C#N)=C\c2cc(Br)ccc2OCc2ccc(F)cc2)cc1 1084485882 RIMIHINHILHGTI-PDGQHHTCSA-N 481.321 5.721 50 10 JKGE Cc1cc(C=NNC(=O)c2ccccc2Br)c(C)n1-c1cccc(Cl)c1Cl 1084554347 WOVDSJUFVLCVOA-UHFFFAOYSA-N 465.178 5.927 50 10 JKGE CO[C@H](C(=O)NN=Cc1c(Br)c(C)n(-c2cc(C)ccc2C)c1C)c1ccccc1 1084568798 QITFWKZEAUMEQA-QHCPKHFHSA-N 468.395 5.311 50 10 JKGE CC(=NNC(=O)c1ccc(CN2CCN(Cc3ccccc3)CC2)cc1)c1ccc(C(C)(C)C)cc1 1084597882 YIBOARSRBOPSNN-UHFFFAOYSA-N 482.672 5.456 50 10 JKGE COc1cc(/C=C(/C#N)C(=O)Nc2cc(C)ccc2C)c(Br)cc1OCc1ccccc1 1084630157 KKXXDDQENINCAZ-MTJSOVHGSA-N 491.385 6.199 50 10 JKGE CCCc1nn(Cc2cccc(Cl)c2)c2c1[C@H](c1ccc(C(C)(C)C)cc1)C(C#N)=C(N)O2 1865682204 IUWMDERYVHLBML-HSZRJFAPSA-N 461.009 6.053 50 10 JKGE CCc1nn(Cc2ccc(Cl)c(Cl)c2)c2c1[C@H](c1c(Cl)cccc1Cl)C(C#N)=C(N)O2 1865685518 JQOAANVCWCOEMZ-SFHVURJKSA-N 494.209 6.326 50 10 JKGE CCCc1nn(CC(C)C)c2c1[C@@H](c1ccc(OCc3ccc(C)cc3)cc1)C(C#N)=C(N)O2 1865693353 NFJVEJWBAUUKJB-VWLOTQADSA-N 456.590 5.597 50 10 JKGE COc1cc([C@H]2C(C#N)=C(N)Oc3c2c(C)nn3-c2ccccc2)ccc1OCc1ccc(C)cc1 1865696053 WROQTZAGQAQVIR-MHZLTWQESA-N 478.552 5.295 50 10 JKGE N#CC1=C(N)Oc2c(c(C(F)(F)F)nn2-c2ccc(Br)cc2)[C@H]1c1ccc(F)cc1 1865708086 NVPPCAQSALXTCB-HNNXBMFYSA-N 479.231 5.011 50 10 JKGE N#CC1=C(N)Oc2c(c(-c3ccccc3)nn2-c2ccc(Cl)cc2)[C@H]1c1ccc([N+](=O)[O-])cc1 1865713158 SIGAJOMKNJUFQR-NRFANRHFSA-N 469.888 5.319 50 10 JKGE COCCc1nc(Nc2ccc(SC#N)cc2)cc(N2CCc3cc(C)ccc3[C@H]2CC(C)C)n1 1868253569 LZDLIJVBIJFJHV-RUZDIDTESA-N 487.673 6.441 50 10 JKGE Cc1ccccc1-c1nc(Nc2ccc(SC#N)cc2)cc(N2CCN(CC(C)(C)C)CC2)n1 1868300515 DXIYREVTZQMMFC-UHFFFAOYSA-N 472.662 5.937 50 10 JKGE COc1ccc(C(C)(C)C)cc1-c1csc(/C(C#N)=C(\O)[C@@H](C)Oc2ccc(C(C)C)cc2)n1 1872751858 XKLTYXVRDOMAMS-FRXIXPCJSA-N 476.642 7.500 50 10 JKGE COc1c(Cl)cc(-c2csc(/C(C#N)=C(\O)c3ccc4nc(C)c(C)nc4c3)n2)cc1Cl 1872756228 VGGQBEWIZUKQPC-QNGOZBTKSA-N 483.380 6.635 50 10 JKGE CCc1cccc(CC)c1N1C[C@@H](/C(O)=C(\C#N)c2nc(-c3cc(C)ccc3OC)cs2)CC1=O 1873920291 CEGVSSZYHJYHSC-IHSREPSTSA-N 487.625 6.098 50 10 JKGE CC1(C)CC(CBr)(CN(Cc2ccccc2)C2CN(C(=O)OC(C)(C)C)C2)C1 1892897072 NWIXKMWZQNZQCN-UHFFFAOYSA-N 451.449 5.309 50 10 JKGE C[C@@H]1CC[C@H]([C@H](Br)c2c(Br)sc(Br)c2Cl)O1 1897065051 LHJXQRQHJXWVKQ-XAHCXIQSSA-N 453.421 5.930 50 10 JKGE CCc1ccc([C@H](Cl)c2c(Br)sc(Br)c2Br)s1 1924584504 YPESVRXVWASTGN-VIFPVBQESA-N 479.484 6.988 50 10 JKGE CC1(C)C[C@@H]1CC[C@@H](Cl)c1c(Br)sc(Br)c1Br 1924615033 VNIXYADHQNJSMK-NKWVEPMBSA-N 465.476 7.142 50 10 JKGE Brc1ccc([C@H](Br)Cc2ncccc2Br)c(Br)c1 1924859832 BKZIVQKWYWABKB-GFCCVEGCSA-N 498.838 6.048 50 10 JKGE Cc1cccc([C@@H](Cl)c2c(Cl)sc(Cl)c2Cl)c1I 1925587300 IIMSDSZVRWWHCG-MRVPVSSYSA-N 451.971 6.950 50 10 JKGE COCC1([C@H](Cl)c2c(Br)sc(Br)c2Br)CCC1 1951246335 ZBPVICVCVFWPKH-MRVPVSSYSA-N 467.448 6.132 50 10 JKGE Cc1nc(C[C@H](Br)c2cc(Br)c(Br)s2)sc1C 2025971590 HKZKFKZSCTWTSU-ZETCQYMHSA-N 460.054 6.025 50 10 JKGE CCc1cc(Br)c([C@@H](Br)c2ccc(Br)c(F)c2)s1 2029232949 NIHLBAGDKRGCDV-LBPRGKRZSA-N 457.000 6.459 50 10 JKGE Fc1ccc([C@@H](Cl)c2csc(Br)c2Br)c(F)c1Br 2032958606 IAXWBCZDVJQXIT-SECBINFHSA-N 481.381 6.642 50 10 JKGE COc1sc([C@@H](Cl)c2cccc(C)c2I)cc1Br 2034629211 LGWRMOLOMPWIQN-NSHDSACASA-N 457.558 5.760 50 10 JKGE C[C@@H](c1ccncc1Br)[C@@H](Br)c1cc(Br)c(Cl)s1 2052441269 DXXFDVKYYNRQRJ-UPONEAKYSA-N 474.443 6.561 50 10 JKGE CO[C@@H]1CC([C@@H](Br)c2cc(Br)sc2Br)C[C@H]1OC 2054500940 XAOVMIBQBIUGQX-FXPVBKGRSA-N 463.029 5.149 50 10 JKGE FC(F)(F)[C@@H]1C[C@@H]1C[C@@H](Cl)c1c(Br)sc(Br)c1Br 2065504452 FHCRNGMJEXTYFY-UOWFLXDJSA-N 491.392 6.904 50 10 JKGE Cc1cc(Br)c(C)c([C@@H](Cl)c2ccc(Br)s2)c1Br 2081058624 FRLQAOJLBBNEDX-ZDUSSCGKSA-N 473.455 6.981 50 10 JKGE Cc1cc(F)c(F)cc1[C@@H](Br)c1csc(Br)c1Br 2083946749 DJEBVVBWEPSCMJ-SNVBAGLBSA-N 460.963 6.344 50 10 JKGE Cc1cc(Br)c([C@H](Br)[C@@H]2C[C@H]3O[C@H]2[C@@H]2C[C@@H]32)cc1Br 2087775318 ARJCADOVIKTHOO-WNBYEBNYSA-N 450.996 5.379 50 10 JKGE Cc1cc(Br)c([C@H](Br)[C@H]2CC[C@H]3C[C@H]2CO3)cc1Br 2089071334 TYJLZFDGQIBZBM-USXUVBGUSA-N 453.012 5.771 50 10 JKGE Clc1cccc([C@@H](CBr)Cc2ccc(Br)cc2Br)c1 2092260588 ISFOVEKFMFAXPK-GFCCVEGCSA-N 467.426 6.586 50 10 JKGE Fc1ccc([C@@H](CBr)Cc2cccc(Br)c2Br)cc1 2092335106 KRHSIPSVBOZEIL-GFCCVEGCSA-N 450.971 6.072 50 10 JKGE Brc1scc([C@H](Br)c2cccc3ccccc23)c1Br 2093947629 AOJQVIIYVYNEAI-CYBMUJFWSA-N 461.016 6.911 50 10 JKGE BrC[C@]1(Cc2ccc(Br)cc2Br)CC12CCCCC2 2100468060 QRLMVWCRPKFCFU-INIZCTEOSA-N 451.040 6.490 50 10 JKGE ClCCc1nc2cc(Cl)c(Br)cc2n1[C@@H]1CC[C@@H]1OCc1ccccc1 2112696794 PTQOISWMBTTXPZ-MJGOQNOKSA-N 454.195 6.154 50 10 JKGE Fc1cc(Br)cc(N2CC[C@@H]3CN(Cc4ccccc4)C[C@H]3C2)c1CBr 2114266647 VSWXNRAWVBIHFI-SJORKVTESA-N 482.235 5.441 50 10 JKGE C[C@H](CCCCCI)NC(=O)c1cc(Cl)cc(Br)c1 2117894827 MZKOOAFQSBHOFV-SNVBAGLBSA-N 458.565 5.216 50 10 JKGE Brc1ccc(Br)c(C[C@@H]2C[C@@H](Br)CC3(CCC3)C2)c1 2127185121 FJRUKZOKWQHPOL-BXUZGUMPSA-N 451.040 6.488 50 10 JKGE Cc1cc(Cl)c(Br)cc1[C@H](Br)c1c(Cl)cccc1Br 2137641753 XEKWUNUIZDDKCI-AWEZNQCLSA-N 487.844 7.311 50 10 JKGE Cc1cc(Cl)c(Br)cc1[C@H](Cl)c1cc(Br)ccc1Br 2137653677 FTBAZPIKXKNWLU-AWEZNQCLSA-N 487.844 7.264 50 10 JKGE O=C(NCC1(CBr)CCCCC1)c1cccc(Br)c1Br 2148772037 WHVPMGRTLJJDPV-UHFFFAOYSA-N 468.027 5.287 50 10 JKGE Cc1cc(Br)c([C@H](Br)[C@@]23CCCC[C@@H]2OCC3)cc1Br 2149061133 DPDNPJRSLRGDKH-HRCADAONSA-N 467.039 6.305 50 10 JKGE Fc1cc(Cl)c(Br)cc1[C@@H](Br)Cc1c(Cl)cccc1Cl 2161086082 PGGAOKMYCZIIHH-VIFPVBQESA-N 461.383 7.227 50 10 JKGE Brc1cccc(Br)c1CN1CCC[C@@H]2CC[C@@H](Br)C[C@H]21 2167024577 VQEFUYYVFVSNOJ-XHBSWPGZSA-N 466.055 5.740 50 10 JKGE COc1ccc(C[C@@H](Cl)c2cc(Br)ccc2I)cc1F 2168399503 BZAUTQHFJHDOJG-GFCCVEGCSA-N 469.519 5.724 50 10 JKGE COc1ccc(C[C@H](Br)c2ccc(I)c(Cl)c2)cc1F 2168399518 CDNKCZQYSFMGOV-NSHDSACASA-N 469.519 5.771 50 10 JKGE CCc1nc([C@H](Cl)c2csc3c(Br)cccc23)c(Br)s1 2169488563 SHKCSKKPGFQYGH-LLVKDONJSA-N 451.636 6.773 50 10 JKGE Fc1c(CC[C@@H](Br)c2cccc(Br)c2)ccc(Cl)c1Br 2169756712 AJHHGPINNMWGTH-GFCCVEGCSA-N 485.416 7.073 50 10 JKGE Fc1cc(Br)cc(N2CCC[C@@H]2[C@@H]2CCN(Cc3ccccc3)C2)c1CBr 2170686335 WKIDAQQLPTYZQT-DYESRHJHSA-N 496.262 5.974 50 10 JKGE Cc1ccc(CBr)cc1S(=O)(=O)N(Cc1ccccc1)[C@H](C)c1cccs1 2179791780 WJBLVYWCSKIOJH-QGZVFWFLSA-N 464.450 5.904 50 10 JKGE Cc1cc(Br)c([C@H](Br)[C@]2(C)CCCC(F)(F)C2)cc1Br 2188636346 YCHFXPVEDQCCNT-UONOGXRCSA-N 475.009 7.172 50 10 JKGE FCCOc1ccc([C@@H](Br)c2cc(Br)ccc2Br)cc1 2189493072 CMLAFMMNTWDILP-OAHLLOKOSA-N 466.970 6.044 50 10 JKGE Cc1cc(CN(C)c2cc(Br)cc(F)c2CBr)sc1Br 2202297968 VZLKFCAEIOGCPV-UHFFFAOYSA-N 486.042 6.252 50 10 JKGE COc1cc(F)c([C@@H](Br)c2cc(F)cc(Br)c2)cc1Br 2202903614 HDHNNRSAYREFHC-AWEZNQCLSA-N 470.933 5.983 50 10 JKGE FC1(F)CCC[C@@H](O[C@@H](CI)c2ccccc2Br)CC1 2207040123 RUSIYJMISJKYAX-RISCZKNCSA-N 459.112 5.910 50 10 JKGE Cc1cc(Br)c([C@@H](Br)[C@@H](C)C(F)(F)F)c(C)c1Br 2220143199 CSQNFVUYJZNAKX-HQJQHLMTSA-N 452.934 6.463 50 10 JKGE COc1ccc(Br)cc1[C@H](Br)c1sc(C)c(C)c1Br 2229320264 RERTZTURSXXZIA-ZDUSSCGKSA-N 469.036 6.383 50 10 JKGE CC1(C)CN(C(=O)c2scc(Br)c2Br)C[C@H]1CCBr 2230142332 DYMMFGZRRGQMQX-MRVPVSSYSA-N 474.056 5.156 50 10 JKGE CC(C)(C)OC(=O)NCCCN(CCCCCCBr)c1cccc(Br)c1 2231103471 OEKPEPAPPULHBG-UHFFFAOYSA-N 492.296 6.126 50 10 JKGE CCCN[C@H](c1c(Br)cc(Cl)c(Cl)c1Cl)C1CC(Br)C1 2232525883 FHLWZFSVJSAPNU-RAPRUERJSA-N 464.456 6.624 50 10 JKGE C[C@@H](Cl)c1nc2c(F)cc(Br)cc2n1C[C@@H]1CCN(Cc2ccccc2)C1 2232915805 IFEZNWLZROEKFJ-GDBMZVCRSA-N 450.783 5.760 50 10 JKGE Brc1coc([C@@H](Br)c2cc3sc(Br)cc3s2)c1 2252883749 UQTGJIUHUNXOJX-LLVKDONJSA-N 457.006 6.565 50 10 JKGE CC(C)[C@@H](CBr)N(Cc1ccccc1)C(=O)c1cc(F)c(Br)cc1F 2255688285 SYMPUCHZWUVURE-GOSISDBHSA-N 475.171 5.789 50 10 JKGE FC(F)[C@@H]1CCC[C@H]1[C@@H](Cl)c1c(Br)sc(Br)c1Br 2257873930 YBBCXJWAOCQALE-OKMMGKLZSA-N 487.429 6.997 50 10 JKGE COc1c(Br)cc(Cl)cc1[C@@H](Br)c1c(Br)cnn1C 2264356326 KXOKURLFKVYMKS-SNVBAGLBSA-N 473.390 5.091 50 10 JKGE CC(C)Cc1ccc([C@@H](Br)c2ccc(Cl)c(I)c2)s1 2268283770 IQHWOUBTHSOZCJ-HNNXBMFYSA-N 469.613 6.689 50 10 JKGE COc1c([C@H](Br)c2sncc2Br)cc(Br)c(C)c1C 2269167656 KFBNSYYZLWNFFO-NSHDSACASA-N 470.024 5.778 50 10 JKGE COc1ccc([C@H](Br)c2csc(Br)c2Br)c(C)c1C 2269170831 GQGWXZIJHHUQSL-LBPRGKRZSA-N 469.036 6.383 50 10 JKGE COc1c(Br)cc(Cl)cc1[C@@H](Br)c1scc(Br)c1C 2277889535 PZHSYJRPNACXPT-LLVKDONJSA-N 489.454 6.728 50 10 JKGE C[C@H](Cl)COCc1cc(-c2ccc(OCc3ccccc3)c(OCc3ccccc3)c2)no1 2278370030 CEUBPWZHYNPEDF-FQEVSTJZSA-N 463.961 6.644 50 10 JKGE COc1ccc([C@H](Br)c2c(F)cc(F)cc2F)cc1I 2284997970 JFYCOECJXFEYKM-AWEZNQCLSA-N 457.027 5.201 50 10 JKGE COc1ccc(Br)c2c1nc(CCl)n2CC[C@@H](C)N(C)Cc1ccccc1 2286080373 GJFMVYBJVBHHMN-OAHLLOKOSA-N 450.808 5.457 50 10 JKGE BrC[C@H](CCc1ccccc1)Cc1cc(Br)ccc1Br 2286757178 LBIZAXXXQOSRKH-CQSZACIVSA-N 461.035 6.398 50 10 JKGE Cc1ccc(Br)cc1[C@H](Cl)c1c(F)cc(Br)c(F)c1Br 2288497186 QAIHCEMXCQJPBB-ZDUSSCGKSA-N 489.379 6.889 50 10 JKGE CC1(C)[C@H]2CC[C@@H](C2)[C@H]1[C@H](Br)Cc1cc(Br)cc(Br)c1 2295336213 STDWPUQUPBPKDM-RKLWJJNISA-N 465.067 6.590 50 10 JKGE CCCCc1ccc(C[C@H]2SC(=C(C#N)C(=O)Nc3ccccc3)N(c3ccccc3)C2=O)cc1 2296506954 MTQSCXMGIDTFOQ-AREMUKBSSA-N 481.621 6.094 50 10 JKGE O=C(c1ccc(Cl)cc1I)N(Cc1ccccc1)C1(CCl)CCC1 2301794676 AKEGROGAUPACIO-UHFFFAOYSA-N 474.169 5.749 50 10 JKGE CCOc1cc(C=C(C#N)C(=O)Nc2ccc(C)cc2)ccc1OCc1cccc2ccccc12 2313511138 PXFCNSXDKUZLEG-UHFFFAOYSA-N 462.549 6.672 50 10 JKGE CCc1cc([N+](=O)[O-])ccc1-c1ccc(C=C(C#N)C(=O)Nc2ccc(Cl)c(OC)c2)o1 2313553235 VSLLWXAIIWMHDA-UHFFFAOYSA-N 451.866 5.625 50 10 JKGE Brc1cc(OCc2ccccc2)ccc1[C@H](Br)[C@@H]1C[C@@H]2CC[C@H](C1)O2 2314442861 DIMRADRQLCFGER-LNNXQNCSSA-N 466.213 6.422 50 10 JKGE Cl[C@@H](Cc1ccccc1Br)c1ccc(OCc2ccccc2)cc1Br 2314499766 GRXKXIHVVTXAJK-NRFANRHFSA-N 480.627 7.313 50 10 JKGE CCOC(=O)c1c(NC(=O)C(C#N)=Cc2ccc(C(C)C)cc2)sc(C)c1-c1ccc(Cl)cc1 2314753606 CFAHRXPMAVPCKX-UHFFFAOYSA-N 493.028 7.223 50 10 JKGE CC1(F)CC([C@H](Br)c2c(Cl)cc(Br)c(F)c2Br)C1 2315452436 CEZPITGIWKRPEI-MFOBGVTRSA-N 467.373 6.578 50 10 JKGE CCC1(CC)[C@@H](Oc2cc(Br)cc(I)c2)C[C@H]1Br 2316851098 JXRDKNDXGDXXMO-OLZOCXBDSA-N 488.001 5.775 50 10 JKGE Cl[C@H](C[C@@H]1CC[C@H]1C1CC1)c1c(Br)sc(Br)c1Br 2319489223 HYQQNGAKWUTBKD-XHNCKOQMSA-N 477.487 7.142 50 10 JKGE Cc1nc(-c2ccc(F)cc2F)ccc1C(=O)NNC(=O)C=Cc1ccc(Cl)cc1Cl 2321152254 WFEMLPSSTYQNMU-UHFFFAOYSA-N 462.283 5.116 50 10 JKGE N#CC(=CNCCc1ccc(Br)cc1)C(=O)NC1CCCCCCCCCCC1 2325489143 NHTSAIJUYWGSMW-UHFFFAOYSA-N 460.460 5.778 50 10 JKGE Cc1ccc(C(=CC(=O)N[C@H](C(=O)Nc2ccc(SC#N)cc2)c2ccccc2)C2CC2)cc1C 2329603133 BVZRUGOKRKYANR-NDEPHWFRSA-N 481.621 6.166 50 10 JKGE COc1cccc(C=C(C#N)c2nc3cc(C)ccc3n2C)c1OCc1c(F)cccc1Cl 2331018622 XRMUROJNSJYKOP-UHFFFAOYSA-N 461.924 6.326 50 10 JKGE C[C@H](Oc1ccc(Cl)cc1Cl)C(O)=C(C#N)c1nc(-c2ccc([N+](=O)[O-])cc2)cs1 2331281524 KTFVGFNGJHKKKT-NSHDSACASA-N 462.314 6.285 50 10 JKGE CCCCc1ccc(N2C[C@H](C(O)=C(C#N)c3nc(-c4cc(C)ccc4C)cs3)CC2=O)cc1 2331319647 UFIBGPXRSBVHAI-OAQYLSRUSA-N 471.626 6.615 50 10 JKGE N#CC(=C(O)C=Cc1ccc(OCc2ccccc2)cc1)c1nc(-c2c[nH]c3ccccc23)cs1 2331348532 FSIMLRIXCVDFQT-UHFFFAOYSA-N 475.573 7.376 50 10 JKGE Cc1cc(C)c(C)c(-c2csc(C(C#N)=C(O)[C@H](C(C)C)N3C(=O)c4ccccc4C3=O)n2)c1C 2331364539 KIPMIJNYTOVOEG-DEOSSOPVSA-N 485.609 6.157 50 10 JKGE CCOc1ccc(-c2csc(C(C#N)=C(O)C=Cc3ccc4c(c3)OCCO4)n2)c(OCC)c1 2331386646 WOBMTWATLBDRCP-UHFFFAOYSA-N 476.554 5.885 50 10 JKGE COc1c(Cl)cc(-c2csc(C(C#N)=C(O)c3ccc(-c4ccccc4)cc3)n2)cc1Cl 2331396458 BCGVBOYUPIBDON-UHFFFAOYSA-N 479.388 7.742 50 10 JKGE COCCCN1C(=O)c2ccc(C(O)=C(C#N)c3nc(-c4ccc(Cl)s4)cs3)cc2C1=O 2331400742 PPXKLXRYNNRDMI-UHFFFAOYSA-N 485.974 5.107 50 10 JKGE CCCOc1c(Br)cc(C=C(C#N)c2nc(-c3cc(C)ccc3C)cs2)cc1OC 2331445619 QZIBUUXPYYWBSL-UHFFFAOYSA-N 483.431 7.051 50 10 JKGE COc1cc(OC)c(-c2csc(C(C#N)=Cc3ccc(OC(C)C)c(OC)c3)n2)cc1Cl 2331472260 DMRGRNLQSOLUDM-UHFFFAOYSA-N 470.978 6.341 50 10 JKGE FC(F)c1cccc([C@H](Br)c2ccc(OCc3ccccc3)cc2Br)c1 2336040538 GOPMDNMBLZIXLF-FQEVSTJZSA-N 482.162 7.450 50 10 JKGE Brc1ccc(OCc2ccccc2)c([C@@H](Br)C2Cc3ccccc3C2)c1 2336051812 VMZXOUHIYFVCOQ-QHCPKHFHSA-N 472.220 6.879 50 10 JKGE Clc1ccc(CN2C[C@H](Br)CC23CCCC3)cc1I 2337221742 SKCGEJFLZVQZIW-GFCCVEGCSA-N 454.577 5.227 50 10 JKGE CC1(C)CC[C@H](Br)[C@H](Cc2ccc(Cl)c(I)c2)CC1 2337278660 IYWISNPLEDWIFB-STQMWFEESA-N 455.605 6.467 50 10 JKGE Cc1cc(Br)c(F)c(Br)c1[C@H](Br)[C@@H]1C[C@H]2C[C@H]2CO1 2339653765 MUJAPGCTFRYBBE-WQWPXVFUSA-N 456.975 5.520 50 10 JKGE Cc1c(Br)ccc([C@H](Br)C[C@@H]2CC[C@@H]2C2CC2)c1Br 2342174286 SZOZGEAITSFDMR-YWPYICTPSA-N 451.040 6.782 50 10 JKGE FC1(F)C2(CCC2)[C@]1(CBr)Cc1cc(I)ccc1Cl 2352418003 PUTXXSBGJWMPED-CYBMUJFWSA-N 461.515 5.688 50 10 JKGE Cc1cc(Br)c(C)c([C@H](Br)[C@H]2CC[C@@H]3C[C@H]2CO3)c1Br 2359120119 JMNLAQUIYVUKAG-MEQWQQMJSA-N 467.039 6.080 50 10 JKGE O=S1(=O)CCCC[C@H]1[C@H](Br)c1c(F)cc(Cl)c(Br)c1Cl 2360427755 XESMBAXLNIMYRR-KWQFWETISA-N 468.997 5.298 50 10 JKGE Fc1c(Br)cc(Cl)c([C@H](Br)[C@@]23CCCC[C@H]2CC3)c1Br 2362225062 UHNOIEXRVKTCPA-UFTIBIJLSA-N 489.448 7.411 50 10 JKGE CC(C)CO[C@@H]1[C@@H](Br)C[C@@H]1OCc1cc(Br)cc(Br)c1 2362241533 XRGYWFHYRFKUFY-SOUVJXGZSA-N 471.027 5.305 50 10 JKGE FC(F)(F)CCCCCO[C@H](CI)c1ccc(Br)cc1 2362737674 XRYMZCNXHWTJTH-CYBMUJFWSA-N 465.091 6.065 50 10 JKGE CCN(C[C@](C)(CI)OCC(C)(C)Cc1ccccc1)C(=O)OC(C)(C)C 2364248810 ONKGUUBJUGDLGP-QFIPXVFZSA-N 489.438 5.723 50 10 JKGE Cc1cc(Br)c(F)c(Br)c1[C@H](Br)[C@@H]1C[C@@H]2C[C@@H]2C[C@H]1C 2365188241 JJHUZPSXZHIFPF-VVPVWDJXSA-N 469.030 6.777 50 10 JKGE Clc1cc(Cl)cc(CC[C@@H](Cl)c2cc(Br)ccc2OCc2ccccc2)c1 2366797043 QAZQSNBMWYGHCU-OAQYLSRUSA-N 484.648 8.248 50 10 JKGE ClCc1nc2cc(Br)cnc2n1Cc1sc(Cl)cc1Br 2369940834 GLXNUEYJWDYLNZ-UHFFFAOYSA-N 455.990 5.458 50 10 JKGE N#C/C(=C\C1=C(N2CCOCC2)/C(=C\c2ccc(Cl)cc2Cl)CC1)C(=O)Nc1ccccc1F 32693784 RHRADDNSRSJNRL-ONPRKJMBSA-N 498.385 5.985 50 10 JKGE N#C/C(=C/c1ccc(-c2cccc([N+](=O)[O-])c2)o1)c1nc(-c2cc3ccccc3oc2=O)cs1 33471732 HFBOAFFWGWYRHH-BOPFTXTBSA-N 467.462 6.149 50 10 JKGE CC[C@@H]1[C@@H](C)[C@@H](Nc2ccc(SC#N)cc2)c2ccccc2N1C(=O)c1ccc(C(C)C)cc1 33575777 HCLBIUVDGKKIDF-WIJPHRNOSA-N 469.654 7.611 50 10 JKGE CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(F)cc2)ccc1OCc1ccc(Cl)c(Cl)c1 33776858 WUAHFIFWUMRVJH-WOJGMQOQSA-N 485.342 6.656 50 10 JKGE Cc1ccc(S(=O)(=O)/C(C#N)=C\c2c(Oc3cc(C)cc(C)c3)nc3c(C)cccn3c2=O)cc1 34895234 RUMQXNCSSXLCDT-HAHDFKILSA-N 485.565 5.059 50 10 JKGE N#CC1=C(N)Oc2cc(OC(=O)c3ccc(F)cc3)ccc2[C@@H]1c1ccc(OCc2ccccc2)cc1 38650910 QLLVNXIYZLUGFU-NDEPHWFRSA-N 492.506 5.842 50 10 JKGE Cc1cccc(OCC(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@H]3c2ccccc2Cl)c1C 38651068 VFUXVAFVQCPKPN-VWLOTQADSA-N 460.917 5.159 50 10 JKGE C[C@@H](Oc1ccc(F)cc1)C(=O)Oc1ccc2c(c1)OC(N)=C(C#N)[C@@H]2c1c(Cl)cccc1Cl 38679821 DKIIAJRZCFOVNS-MCMMXHMISA-N 499.325 5.724 50 10 JKGE Cc1cccn2c(=O)c(/C=C(/C#N)C(=O)Nc3ccc(F)cc3)c(Oc3ccccc3Cl)nc12 39858680 OLWWWZFRSGGYEN-SSZFMOIBSA-N 474.879 5.133 50 10 JKGE Cc1ccccc1C(=O)N/N=C1\CCCc2oc(C(=O)Nc3cccc(C(F)(F)F)c3)c(C)c21 40811536 KLTTYKJXOZMHDV-NDZAJKAJSA-N 469.463 5.638 50 10 JKGE Cc1ccc(NC(=O)c2oc3c(c2C)/C(=N/NC(=O)c2ccccc2Br)CCC3)cc1 40812925 LJYJTIYFMQNLIY-ZXVVBBHZSA-N 480.362 5.382 50 10 JKGE COc1ccc(C)cc1NC(=O)c1oc2c(c1C)/C(=N/NC(=O)c1cccc3ccccc13)CCC2 40813541 NSOQMBICTJEVAO-DFKUXCBWSA-N 481.552 5.781 50 10 JKGE COc1cc(/C=C(\C#N)c2ccc(Cl)cc2)ccc1OC(=O)COc1ccccc1C(C)C 40864670 GJBSRZSATDMANP-KGENOOAVSA-N 461.945 6.521 50 10 JKGE COc1cc(/C=C(\C#N)C(=O)NCc2ccccc2)ccc1OC(=O)COc1ccccc1C(C)(C)C 40870072 AGDPFKYIFVNYHN-XQNSMLJCSA-N 498.579 5.200 50 10 JKGE CCCCOc1ccc(/C=N/NC(=O)COc2ccc(Br)cc2C(C)(C)C)cc1OC 40910966 HDMDOQYZCPCTBP-CVKSISIWSA-N 491.426 5.463 50 10 JKGE O=C(Cc1ccc(Cl)cc1)N/N=C/c1ccc(OC(=O)c2sc3ccccc3c2Cl)cc1 48572598 DSDMBJZVTBTJFH-MZJWZYIUSA-N 483.376 6.120 50 10 JKGE CCOc1cc(/C=C(\C#N)C(=O)Nc2cc(Cl)ccc2Cl)cc(Br)c1OCC 59117391 ICFSEJFRYNXRON-NTUHNPAUSA-N 484.177 6.099 50 10 JKGE Cc1cccc(COc2ccc(Br)cc2/C=C(\C#N)C(=O)N[C@@H](C)c2ccccc2)c1 59297264 PJSPDLMCQADQSM-WQZUMXOESA-N 475.386 6.121 50 10 JKGE COc1cc(/C=C(\C#N)C(=O)Nc2ccccc2)c(Br)cc1OCc1ccccc1C#N 59432753 CZTVJLOZCHDFFC-RGVLZGJSSA-N 488.341 5.454 50 10 JKGE COc1ccc(CN(C(=O)CCl)[C@@H](C(=O)NC2CCCCCC2)c2ccc(F)cc2Cl)cc1 97915023 NTPNURNKOJVZBT-XMMPIXPASA-N 495.422 5.635 50 10 JKGE CCc1ccc(N2C(=O)[C@@H](Cc3ccccc3F)S/C2=C(/C#N)C(=O)Nc2ccccc2C)cc1 101244921 FVSOOHUEJLAATO-KVILUOORSA-N 485.584 5.762 50 10 JKGE CCCCN1C(=O)C(C#N)=C(C)/C(=C\c2cn(-c3ccccc3)nc2-c2ccc(C)cc2)C1=O 101332978 JGPDVYINGCTSGE-LFVJCYFKSA-N 450.542 5.240 50 10 JKGE CC1=C(C#N)C(=O)N(CC(C)C)C(=O)/C1=C/c1cn(-c2ccccc2)nc1C12CC3CC(CC(C3)C1)C2 101334717 UIKYXAIRTHXNEY-RPPGKUMJSA-N 494.639 5.588 50 10 JKGE N#C/C(=C/Nc1ccc(Oc2ccccc2)cc1)c1nc(-c2ccc(Cl)c(Cl)c2)cs1 102937585 NUIRTGNYGDVNET-VKAVYKQESA-N 464.377 7.886 50 10 JKGE COc1ccc(Br)c(CC(CBr)(CBr)CC(C)C)c1 118669828 WAOMDGWKIGMGRJ-UHFFFAOYSA-N 457.044 5.823 50 10 JKGE FC(F)(F)c1cc([C@H](Br)c2ccc(Cl)c(Cl)c2)ccc1Br 124615181 RQHUXDZWAMWVIV-ZDUSSCGKSA-N 462.918 7.259 50 10 JKGE Brc1cccc([C@H](Br)c2cc(Br)c(Br)s2)c1 128243127 NYKOCPMAHOGPRI-JTQLQIEISA-N 489.852 6.520 50 10 JKGE Cc1cc(Br)c([C@H](Cl)c2cc(Br)ccc2Cl)cc1Br 128656748 NBSBFAJWMNTSNT-AWEZNQCLSA-N 487.844 7.264 50 10 JKGE CC(C)Cn1c(CBr)nnc1-c1cc(Br)ccc1Br 161342609 CROMJXAVBVGRFN-UHFFFAOYSA-N 451.988 5.021 50 10 JKGE Clc1cc(Cl)c(OCc2ccc(Br)cc2Cl)c(CBr)c1 168182075 CPFUHSIAJYAMGZ-UHFFFAOYSA-N 459.392 6.883 50 10 JKGE Cc1ccc(COc2ccccc2/C=N\NC(=O)c2ccc3[nH]c4c(c3c2)C[C@H](C)CC4)cc1 169891229 IAVORGSEOMWOFI-MVTUMNDISA-N 451.570 5.944 50 10 JKGE CCOC(=O)c1ccc(-c2ccc(/C=C3\C(=O)N(Cc4ccc(F)cc4)C(=O)C(C#N)=C3C)o2)cc1 214410059 MKNURHPRLSXBEV-UCQKPKSFSA-N 484.483 5.055 50 10 JKGE Fc1ccc(C[C@H](Br)c2ccc(I)c(Cl)c2)c(F)c1 232386439 BDMPFQGSRJZVDU-NSHDSACASA-N 457.483 5.902 50 10 JKGE O=C(CC12CC3CC(CC(C3)C1)C2)NN=Cc1ccc(COc2ccc(Br)cc2)o1 252618428 LGIYKPPZWFODQG-UHFFFAOYSA-N 471.395 5.678 50 10 JKGE C[C@]12CC[C@@H]3[C@H](CC=C4C[C@@H](OC(=O)/C=C/c5ccccc5)CC[C@@]43C)[C@@H]1CC/C2=N/NC(N)=O 253570355 NMEUWUBEWUDIDC-KZZVOGHUSA-N 475.633 5.599 50 10 JKGE O=C(CSc1nnc(-c2ccc3ccccc3c2)n1-c1ccccc1)NNc1ccc(Cl)cc1 253579309 ZMFGUQBKIYNHHF-UHFFFAOYSA-N 486.000 5.976 50 10 JKGE Cc1ccc(C(=O)Oc2ccc3ccccc3c2C=NNC(=O)c2cc3ccccc3cc2O)cc1 254633285 QGVMUUATUWGQDU-UHFFFAOYSA-N 474.516 5.990 50 10 JKGE CCc1cc(C)sc1[C@H](Br)c1cc(Br)ccc1Br 311194862 FGDLBQOHKZXQBW-CYBMUJFWSA-N 453.037 6.628 50 10 JKGE Brc1cc2c(c([C@H](Br)c3nscc3Br)c1)OCC2 404831626 YAYCNZWNDVSIMU-JTQLQIEISA-N 453.981 5.087 50 10 JKGE CC(C)(C)[Si](C)(C)OCc1ccc([C@H]2CCN(S(=O)(=O)c3ccccc3)CCO2)cc1 616593135 IZWOBCKKOGWDEF-HSZRJFAPSA-N 461.700 5.361 50 10 JKGE Cc1cccc([C@H](Cl)c2ccc(F)c(Br)c2F)c1I 691539447 JPGFCDRKZHMFPZ-GFCCVEGCSA-N 457.483 5.969 50 10 JKGE Fc1cc(Br)ccc1C[C@H](Br)c1cc(Cl)c(Br)s1 692783589 VPGHMHNUHFKIMW-QMMMGPOBSA-N 477.418 6.744 50 10 JKGE Fc1cc2c(cc1Br)nc(CCl)n2CC1(CCOCc2ccccc2)CC1 702199794 LHEKMDUMMPLUAV-UHFFFAOYSA-N 451.767 6.064 50 10 JKGE CCOc1ccc(Br)cc1[C@@H](Cl)c1cccc(F)c1I 721696498 GLGCXKAPDUBMLJ-AWEZNQCLSA-N 469.519 5.920 50 10 JKGE CC(=NNC(=O)[C@H]1COc2ccccc2O1)c1ccc2c(c1)[C@@H]1C=CC[C@@H]1[C@H](c1ccccc1Cl)N2 725427061 YRPBQIPPUVMAFM-XNGOEPGBSA-N 499.998 5.847 50 10 JKGE O=C(CSc1nc2ccccc2o1)NN=Cc1ccc(OCc2ccc(Cl)cc2Cl)cc1 725434889 ADVWCCAFHUPMSU-UHFFFAOYSA-N 486.380 5.956 50 10 JKGE Cc1ccc(Cl)cc1N1CCN(C(=O)/C(C#N)=C/c2ccc(-c3ccccc3Cl)o2)CC1 826663214 PSPIZTNFNZRJBQ-NBVRZTHBSA-N 466.368 5.818 50 10 JKGE CCn1c2ccccc2c2cc(C=NNC(=O)COc3ccc(Br)cc3)ccc21 1083983470 HDVGKPFYMVJBOR-UHFFFAOYSA-N 450.336 5.106 50 10 JKGE O=C(CSc1nnc(CNc2ccccc2)n1-c1ccccc1)NN=Cc1cccc2ccccc12 1084103718 FFHCANFWHSCAMT-UHFFFAOYSA-N 492.608 5.275 50 10 JKGE CCOc1cc(/C=C(\C#N)C(=O)Nc2ccccc2C)ccc1OCc1ccc(Cl)cc1Cl 1084241813 UTTKWMIOQFUXOD-UDWIEESQSA-N 481.379 6.825 50 10 JKGE CCOc1cc(/C=C(/C#N)C(=O)Nc2ccccc2)cc(Cl)c1OCc1ccccc1Cl 1084319463 BLWZDZWYNWTXKX-UNOMPAQXSA-N 467.352 6.517 50 10 JKGE COc1ccc(C(=O)NN=Cc2cc(OC)ccc2Oc2ccc(C(F)(F)F)cc2[N+](=O)[O-])cc1 1084514796 SSSOHNBTWBLBPZ-UHFFFAOYSA-N 489.406 5.187 50 10 JKGE CC(=NNC(=O)CCSc1ccccc1)c1cccc(NC(=O)c2cccc(Cl)c2)c1 1084589376 FEECVUWLHBTCJA-UHFFFAOYSA-N 451.979 5.615 50 10 JKGE Cc1c(C(=O)Nc2ccc(F)cc2F)oc2c1C(=NNC(=O)c1cccc(Cl)c1)CCC2 1772747996 MTGBKXQKORFMOF-UHFFFAOYSA-N 457.864 5.242 50 10 JKGE CCCc1nn(-c2cccc(Cl)c2)c2c1[C@H](c1c(Cl)cccc1Cl)C(C#N)=C(N)O2 1865684899 ANWQSLYMKCSEBB-SFHVURJKSA-N 459.764 6.003 50 10 JKGE COc1ccc(-c2nn(-c3ccc(Cl)c(Cl)c3)c3c2[C@@H](c2ccco2)C(C#N)=C(N)O3)cc1 1865697893 DYPMJWBNYIKTQC-HXUWFJFHSA-N 479.323 5.666 50 10 JKGE Cn1cc([C@H]2C(C#N)=C(N)Oc3c2c(C(F)(F)F)nn3-c2cccc(Cl)c2)c2ccccc21 1865699106 KQDHMGDBOFOMFH-GOSISDBHSA-N 469.854 5.254 50 10 JKGE N#CC1=C(N)Oc2c(c(C(F)(F)F)nn2-c2ccc(Cl)c(Cl)c2)[C@@H]1c1cccc([N+](=O)[O-])c1 1865706017 LUCIEAAPYQJGOL-OAHLLOKOSA-N 496.232 5.324 50 10 JKGE CCCc1nn(Cc2ccc(Cl)c(Cl)c2)c2c1[C@@H](c1ccccc1C)C(C#N)=C(N)O2 1865713362 XFDLHFDNDOYCLR-NRFANRHFSA-N 453.373 5.717 50 10 JKGE C[C@H](C(=O)N[C@H](C(=O)Nc1ccc(SC#N)cc1)c1ccccc1)c1ccc(Br)cc1 1866944587 RAOJZZCSXNWJNB-AOMKIAJQSA-N 494.414 5.622 50 10 JKGE COc1ccc(/C=C(\C#N)c2ccc(C(=O)OC(C)C)o2)cc1OCc1ccc(Cl)c(Cl)c1 1872728412 ALOYFGHENCVAJW-VCHYOVAHSA-N 486.351 6.803 50 10 JKGE COC(=O)c1ccc(/C(C#N)=C/c2ccc(OCc3c(Cl)ccc(Cl)c3Cl)c(OC)c2)o1 1872728431 BFLIKWAYTVUONW-NTEUORMPSA-N 492.742 6.678 50 10 JKGE Cc1cc(OCCC/C(O)=C(\C#N)c2nc(-c3ccc4c(c3)OCCO4)cs2)cc(C)c1Cl 1872750537 GRFAKHHLHPMYFF-VZCXRCSSSA-N 482.989 6.503 50 10 JKGE CCOc1ccc(OCC)c(-c2csc(/C(C#N)=C(\O)CCCOc3ccccc3)n2)c1 1872754872 MWBJTWUXSHWPQG-LNVKXUELSA-N 450.560 6.259 50 10 JKGE COc1cc(/C=C(\C#N)c2nc(-c3c[nH]c4ccccc34)cs2)ccc1OCc1ccc(Cl)cc1 1872791619 OIRZXXRPGNORAU-UDWIEESQSA-N 498.007 7.597 50 10 JKGE Cc1ccc(/C=N/NC(=O)[C@@H](C)Oc2ccc(C(=O)Nc3c(C(C)C)cccc3C(C)C)cc2)[nH]1 1873496945 FUNKFRYVGNYXMA-JHUOEDMDSA-N 474.605 5.740 50 10 JKGE C[C@H](CBr)N(Cc1ccccc1)S(=O)(=O)c1c(Cl)cccc1Br 1914353015 LSCOBANXAJAQFX-GFCCVEGCSA-N 481.637 5.077 50 10 JKGE C[C@@H](CCBr)N(Cc1ccccc1)Cc1c(Br)cccc1Br 1915092719 MQTUIXJKJZEGBG-AWEZNQCLSA-N 490.077 6.387 50 10 JKGE Cc1cc(Br)c(C(=O)N(Cc2ccccc2)C2(CBr)CCC2)cc1Cl 1915739787 AWQPJXRGULYEGD-UHFFFAOYSA-N 485.647 6.371 50 10 JKGE Cc1c(Br)sc([C@H](Br)[C@]23CCC[C@@H]2OCC3)c1Br 1922913096 UGSLXEJEKTXKBQ-QWRKXWFKSA-N 459.041 5.977 50 10 JKGE Cc1ccc([C@H](Br)c2sc(Br)cc2Br)cc1Cl 1922934602 IFXSXPNBNSRNAQ-NSHDSACASA-N 459.428 6.719 50 10 JKGE Cc1c(Br)sc([C@@H](Cl)c2cc3c(s2)CCSC3)c1Br 1922955391 YTBJCBMJYHDXKN-NSHDSACASA-N 458.693 6.761 50 10 JKGE C[C@@H]1O[C@H](C)[C@H]([C@@H](Br)c2c(Br)sc(Br)c2Cl)[C@@H]1C 1923038746 KNPHLHHICLQSIL-XLKNOJSPSA-N 481.475 6.422 50 10 JKGE Cc1ccc(F)c([C@H](Br)c2c(Br)sc(Br)c2Cl)c1F 1923067968 LATRVPCBSADNDO-QMMMGPOBSA-N 495.408 6.997 50 10 JKGE Clc1c(Br)sc(Br)c1[C@H](Br)[C@@H]1[C@H]2COC[C@H]21 1923075216 YJOAEMRAHFLIRE-UELCQGJWSA-N 451.405 5.255 50 10 JKGE Cl[C@@H](c1c(Br)sc(Br)c1Br)C1CCCCCCC1 1924590721 LEEFBANDEPHRKV-LLVKDONJSA-N 479.503 7.676 50 10 JKGE Cl[C@H](c1c(Br)sc(Br)c1Br)C1C2(CC2)C12CC2 1924612864 ONUBZDSRYQNASY-SSDOTTSWSA-N 461.444 6.506 50 10 JKGE CC(C)(CBr)N(Cc1ccccc1)C(=O)c1cscc1OCc1ccccc1 1934835948 LAWZOJRMWXUCJW-UHFFFAOYSA-N 458.421 6.143 50 10 JKGE FC1(F)C[C@]12C[C@H]2[C@H](Cl)c1c(Br)sc(Br)c1Br 2004507410 LZTKABZHUJMXHS-PVBTVSRDSA-N 471.386 6.361 50 10 JKGE Fc1ccc([C@@H](Cl)c2cc(I)sn2)c(F)c1Br 2007646841 CPQMCCNYDDTWBA-SECBINFHSA-N 450.473 5.117 50 10 JKGE BrCc1ccc(N2C[C@@H]3CCN(Cc4ccccc4)[C@H]3C2)c(Br)c1 2015069195 SHRFJKMYVBYWDS-PXNSSMCTSA-N 450.218 5.055 50 10 JKGE COc1sc([C@H](Br)c2cc(F)ccc2Br)cc1Br 2034628213 CQPPVIZNQSYYOM-LLVKDONJSA-N 458.972 5.905 50 10 JKGE Fc1cc(Br)c(Cl)cc1[C@H](Br)c1cc(Cl)c(Cl)s1 2038474633 UBXDWLMGFXOZLU-JTQLQIEISA-N 453.385 7.094 50 10 JKGE CCCCOc1ccc(-c2nn(-c3ccccc3)cc2C=C(C#N)c2nc3ccccc3[nH]2)c(C)c1 2040572485 JNYMADYXPDVQHR-UHFFFAOYSA-N 473.580 6.967 50 10 JKGE BrCc1cc(Br)cc(Br)c1OC[C@@H]1[C@H]2CCCC[C@H]21 2093712540 ALWIGOUUWFGCJR-ITGUQSILSA-N 453.012 5.922 50 10 JKGE CCn1ncc(Br)c1[C@H](Cl)c1cc(Br)c(C)cc1Br 2094271004 JYSXTMLHDIMYDO-GFCCVEGCSA-N 471.418 5.827 50 10 JKGE CC(C)(C)[C@H](C[C@@H](Cl)c1c(Br)sc(Br)c1Cl)C(F)F 2111375042 UONKKDVKEKFYHI-PHDIDXHHSA-N 459.021 7.524 50 10 JKGE Cn1nc(COc2c(Br)cc(Cl)cc2CBr)cc1Br 2111922930 OXIAVCRLXRNQMG-UHFFFAOYSA-N 473.390 5.072 50 10 JKGE ClCc1nc2cc(Cl)c(Br)cc2n1Cc1cnn(Cc2ccccc2)c1 2112691590 VKPPKZMYRLWTNK-UHFFFAOYSA-N 450.167 5.484 50 10 JKGE CC(C)(COCc1ccccc1)n1c(CCCl)nc2cc(Cl)c(Br)cc21 2112702453 XBVYYCIDTVTCRE-UHFFFAOYSA-N 456.211 6.185 50 10 JKGE Cc1cc(Br)c(CBr)c(N2C[C@@H]3CCN(Cc4ccccc4)C[C@@H]3C2)c1 2116806812 UATOLSYUBRZYNX-RBUKOAKNSA-N 478.272 5.611 50 10 JKGE Cc1cc(Br)c([C@H](Br)C2CC(C3CCC3)C2)cc1Br 2120257152 CKWUKZIUCAGCHR-ZEPSKSRBSA-N 451.040 6.782 50 10 JKGE O=C(c1csc(Br)c1Br)N1CC2(CCC(Br)CC2)C1 2124671168 MOJZWTXQZNECIG-UHFFFAOYSA-N 472.040 5.053 50 10 JKGE Cc1cc(Br)c(C)c([C@@H](Br)c2cc(Cl)n(C)n2)c1Br 2136373782 FYOTVWVIAGFBRL-ZDUSSCGKSA-N 471.418 5.700 50 10 JKGE O=C(c1cc(Br)c(Br)s1)N1C[C@]2(F)CCC[C@@]2(CBr)C1 2176629666 FPKQFXKWZZKFRR-CHWSQXEVSA-N 490.030 5.002 50 10 JKGE Clc1cc(CC(CBr)(CBr)C2CCCCCC2)c(Cl)s1 2195407937 UBLOIVBARRYPSS-UHFFFAOYSA-N 463.106 7.344 50 10 JKGE CCCN[C@@H](c1c(C)c(Br)cc(C)c1Br)[C@H]1C[C@@H](Br)C1 2201058553 CRSAUGYBVMVJMF-BFQNTYOBSA-N 468.071 6.043 50 10 JKGE COc1cc(Cl)c([C@@H](Br)c2ccc(Cl)cc2Cl)cc1Br 2202347553 LSOMQFNIIIFIEQ-AWEZNQCLSA-N 459.392 6.902 50 10 JKGE COc1ccc([C@@H](Br)c2c(Br)sc(C)c2C)c(Cl)c1Cl 2203427932 KIHFYDVORGNXCG-LLVKDONJSA-N 459.030 6.927 50 10 JKGE Brc1ccc([C@H](Br)c2ccc3ccccc3c2)c(Br)c1 2203685232 JPQZYXKQCHMGAW-QGZVFWFLSA-N 454.987 6.849 50 10 JKGE O=S(=O)(Cc1ccccc1Br)N(Cc1ccccc1)C1(CBr)CCC1 2218984507 RZECPXORVWRILX-UHFFFAOYSA-N 487.257 5.099 50 10 JKGE COc1ccc([C@H](Br)c2sc(C)cc2Br)c(Br)c1 2221838228 SCNNWYKMEVETQE-LBPRGKRZSA-N 455.009 6.074 50 10 JKGE Fc1cc(Br)c(Br)cc1[C@@H](Br)C1(CC2CCC2)CC1 2225616940 KLJKPMTUIQORHG-CQSZACIVSA-N 455.003 6.757 50 10 JKGE Cc1cc(Br)c([C@@H](Br)[C@H](C)C2CCCC2)c(C)c1Br 2227348166 MCGCVFMUZJUHBE-HWPZZCPQSA-N 453.056 7.091 50 10 JKGE Cc1cc(Br)c([C@H](Br)C(C)(C)C2CCC2)c(C)c1Br 2227352078 BINQLCHOGWIZNE-HNNXBMFYSA-N 453.056 7.091 50 10 JKGE Cc1cc(Br)c([C@H](Br)c2scc(C(F)(F)F)c2Br)s1 2229326314 VGQQPMJOBOTQNC-QMMMGPOBSA-N 499.009 7.146 50 10 JKGE Cc1cc(F)c(Br)cc1[C@@H](Cl)c1ccc(Br)cc1Br 2270454458 XGIJSDBZEGXZQP-AWEZNQCLSA-N 471.389 6.750 50 10 JKGE CO[C@@H]1C[C@]2([C@H](Br)c3c(F)cc(Br)c(F)c3Br)C[C@@H]12 2272720991 CHYUMLDRNFFZJR-CCOPYSIBSA-N 460.938 5.351 50 10 JKGE CC1(C)OCCC[C@@H]1[C@H](Br)Cc1cc(Br)cc(Br)c1 2277952917 LKWXASXHOCRPFE-ZIAGYGMSSA-N 455.028 5.723 50 10 JKGE CC(C)c1nc([C@@H](Br)Cc2cc(Br)cc(Br)c2)cs1 2277953027 MRWQZDMYSDCPQM-LBPRGKRZSA-N 468.052 6.470 50 10 JKGE Cc1nn(C)c([C@@H](Br)Cc2cc(Br)cc(Br)c2)c1Cl 2277953978 BMRSXDSTTQCPQR-NSHDSACASA-N 471.418 5.586 50 10 JKGE Fc1cc(F)c(F)c([C@@H](Br)c2c(F)cccc2I)c1F 2282895467 YFQDVDWIABGRHX-NSHDSACASA-N 462.981 5.471 50 10 JKGE C[C@](CI)(OC1CC2(CC(F)C2)C1)c1ccccc1Br 2286866705 OLWUUBQXGZVNKW-XATBXUDESA-N 453.133 5.397 50 10 JKGE Fc1cc(Br)cc(F)c1COc1ccc(CBr)c(Br)c1 2287125089 CTEGMBGZYPTLBG-UHFFFAOYSA-N 470.933 5.964 50 10 JKGE Fc1cc(Br)c(F)c(Br)c1[C@H](Br)Cc1cccc(Cl)c1 2288376332 LYXMILKEPVIVLM-SECBINFHSA-N 489.379 6.822 50 10 JKGE FC[C@]12C[C@]([C@H](Br)c3c(F)cc(Br)c(F)c3Br)(CO1)C2 2288487787 ALOAAQFUEUJOEM-JHJVBQTASA-N 478.928 5.445 50 10 JKGE N#CC(=Cc1ccc(OCc2c(F)cccc2Cl)cc1)C(=O)Nc1ccccc1C(=O)O 2293768981 DUDMKJUYEMRSIS-UHFFFAOYSA-N 450.853 5.302 50 10 JKGE COc1cc(C=C(C#N)c2nc3ccccc3[nH]2)cc(Br)c1OCc1cccc(F)c1 2293772212 RXYWLNBXNJDTAG-UHFFFAOYSA-N 478.321 6.116 50 10 JKGE Cc1cccc([C@H](CI)OCc2cc(Br)ccc2Cl)c1 2295173352 KBSIIVGHFATUON-INIZCTEOSA-N 465.556 6.104 50 10 JKGE Cc1cccc(O[C@@H]2C[C@H](Br)[C@]23CCC(F)(F)C3)c1I 2295336495 WWOGEGRAPPNOKT-OUCADQQQSA-N 457.096 5.320 50 10 JKGE CCCCCCOC(=O)c1ccccc1NC=C(C#N)c1nc(-c2ccc(CC)cc2)cs1 2295945706 VRVVOYNLFVSDIR-UHFFFAOYSA-N 459.615 7.086 50 10 JKGE Cc1ccc(C[C@H]2SC(=C(C#N)C(=O)Nc3ccccc3)N(c3ccccc3)C2=O)cc1Cl 2296506988 OFPNWAGYOLPOBI-HSZRJFAPSA-N 473.985 5.713 50 10 JKGE CCCOc1ccccc1C=C(C#N)C(=O)Nc1scc(-c2ccc(Cl)cc2)c1C(=O)OCC 2296819065 QEDILIGGWHFXEY-UHFFFAOYSA-N 495.000 6.580 50 10 JKGE N#CC(=Cc1cc2cc(Br)ccc2nc1Cl)c1nc(-c2ccccc2)cs1 2297315929 DKCOXVOMZHMPLS-UHFFFAOYSA-N 452.764 6.838 50 10 JKGE CCN(CC)CCOC(=O)c1ccc(NC=C(C#N)c2nc(-c3ccc(C)cc3)cs2)cc1 2297461785 YVSNAKKOFWOMON-UHFFFAOYSA-N 460.603 5.594 50 10 JKGE COc1cc(C=C(C#N)C(=O)NCc2ccccc2)cc(Br)c1OCc1ccc(C)cc1 2313518800 UDMUSJYPYBNUDX-UHFFFAOYSA-N 491.385 5.569 50 10 JKGE CCc1ccc(NC(=O)C(C#N)=Cc2cc(Br)ccc2OCc2ccc(Cl)cc2)cc1 2313730186 BFWCABIZRCRXPC-UHFFFAOYSA-N 495.804 6.790 50 10 JKGE Clc1cc(Cl)cc([C@@H](Cl)c2cc(Br)ccc2OCc2ccccc2)c1 2314449557 QWXPTJHCDDUMFL-HXUWFJFHSA-N 456.594 7.663 50 10 JKGE CC(C)c1ccc(N2C(=O)[C@@H](Cc3ccc(F)cc3)SC2=C(C#N)C(=O)NCc2ccco2)cc1 2314592776 BMJQLSSXMJIEKS-XMMPIXPASA-N 489.572 5.285 50 10 JKGE COc1cc(C=C(C#N)c2ccc(Cl)cc2)ccc1OC(=O)C=Cc1ccc(C(C)C)cc1 2314720277 KMRLHCSXSMYTDR-UHFFFAOYSA-N 457.957 7.155 50 10 JKGE CCOc1cc(C=C(C#N)C(=O)NCc2ccco2)ccc1OC(=O)C=Cc1ccccc1Cl 2314754415 ROKWWWPXIZUBKL-UHFFFAOYSA-N 476.916 5.174 50 10 JKGE Clc1cc(I)c([C@@H](Br)[C@H]2COc3ccccc32)s1 2316599494 REZIGNSIEQVSTI-UFBFGSQYSA-N 455.542 5.618 50 10 JKGE Cc1ccsc1[C@@H](Br)c1c(C)cc(Br)c(F)c1Br 2317396642 UWGNQURPZLJPQD-NSHDSACASA-N 457.000 6.513 50 10 JKGE Cc1cc(Br)c(F)c(Br)c1[C@H](Br)c1sccc1Cl 2317419096 SQAVKSQZXCWBBC-JTQLQIEISA-N 477.418 6.858 50 10 JKGE Cc1cccc(N2CCN(C=C(C#N)C(=O)Nc3ccccc3Sc3ccccc3)CC2)c1C 2318462838 QOOYVIAILGNZJN-UHFFFAOYSA-N 468.626 5.623 50 10 JKGE COc1ccc(C(C#N)=Cc2ccc(OC(=O)C=Cc3ccc([N+](=O)[O-])cc3)c(OC)c2)cc1OC 2320507047 XNNCZSHQGGTTTB-UHFFFAOYSA-N 486.480 5.304 50 10 JKGE CN(Cc1ccc(I)c(Br)c1)[C@H](CBr)C(C)(C)C 2325221214 FEFIQELTTWMHKI-CYBMUJFWSA-N 489.033 5.295 50 10 JKGE CCCCCCCOc1ccc(-c2csc(C(C#N)=C(O)Cc3ccc(OCCC)cc3)n2)cc1 2331344768 KYJVBEVVQXDODZ-UHFFFAOYSA-N 490.669 7.983 50 10 JKGE CC[C@@H](C)[C@H](C(O)=C(C#N)c1nc(-c2c[nH]c3ccccc23)cs1)N1C(=O)c2ccccc2C1=O 2331348997 IGPKTOCXNJZQIP-IQMFZBJNSA-N 482.565 5.795 50 10 JKGE CCCOc1c(Br)cc(C=C(C#N)c2nc(-c3ccccc3)cs2)cc1OC 2331439971 KOKJNVWJLIDJTR-UHFFFAOYSA-N 455.377 6.434 50 10 JKGE CCOc1ccc(-c2csc(C(C#N)=Cc3ccc(OCc4ccccc4C)c(OCC)c3)n2)cc1 2331441006 LSIBONJZXBNAMX-UHFFFAOYSA-N 496.632 7.559 50 10 JKGE CCCCCOc1ccc(C=C(C#N)c2nc(-c3ccc(OC)c(F)c3)cs2)cc1OCC 2331454083 UIAFQOXGVXFXHE-UHFFFAOYSA-N 466.578 6.990 50 10 JKGE COc1cc(C=C(C#N)c2nc(-c3ccc(F)c(F)c3)cs2)ccc1OC(=O)c1ccccc1 2331464061 VIDAWZJFVILGCY-UHFFFAOYSA-N 474.488 6.380 50 10 JKGE COc1cccc(C=C(C#N)c2nc(-c3c(C)c(C)cc(C)c3C)cs2)c1OCc1cccc(C)c1 2331468522 UNEFEFVMKRHALQ-UHFFFAOYSA-N 494.660 8.004 50 10 JKGE Cc1cc(I)c(Oc2cccc(F)c2CBr)cc1Cl 2336558248 HDGRKYBKFRXXOA-UHFFFAOYSA-N 455.492 6.079 50 10 JKGE Fc1c(Br)cc(Cl)c([C@H](Br)[C@H]2[C@H]3CCCC[C@H]32)c1Br 2337084247 JFWSDDFXXSYHIR-BQIHAETKSA-N 475.421 6.876 50 10 JKGE CN(Cc1ccc(Cl)cc1I)[C@H]1CCCCC[C@H]1Br 2341047492 HUOZTUXXKBPYHK-HIFRSBDPSA-N 456.593 5.473 50 10 JKGE C[C@@H](Br)CN(Cc1ccc(Cl)c(I)c1)C1CCCC1 2342927924 KSWLAOOSIRKLNB-LLVKDONJSA-N 456.593 5.473 50 10 JKGE Brc1cc(CN2CC[C@H](Br)CC23CCC3)ccc1I 2349826701 VKZBTZQNIORULI-LBPRGKRZSA-N 499.028 5.336 50 10 JKGE Fc1ccc([C@@H](Cl)CCc2ccc(I)c(Br)c2)cc1 2349833445 FMSASDURJOCNGL-AWEZNQCLSA-N 453.520 6.106 50 10 JKGE Cc1c(Br)sc([C@@H](Br)[C@]23CO[C@](C(F)(F)F)(C2)C3)c1Br 2363840012 ZYTWGOVMARUESH-FBIMIBRVSA-N 498.984 6.129 50 10 JKGE Clc1ccc(CN2CC[C@@H]3[C@@H](Br)CCC[C@@H]3C2)c(I)c1 2366704976 SIERTRSRAXPHRN-UGFHNGPFSA-N 468.604 5.330 50 10 JKGE Cc1ccc(COc2c(Br)cc(CBr)cc2Br)nc1C 2367556817 VELRCNZBXJFLPS-UHFFFAOYSA-N 463.995 5.697 50 10 JKGE CCCCO[C@@H]1[C@H](Cl)C[C@H]1OCc1cc(I)ccc1Br 2367601618 LJCGFMBVDXATFH-RBSFLKMASA-N 473.576 5.135 50 10 JKGE Cc1cc(Br)c(C)c([C@H](Br)[C@@H]2CC[C@H]2C(C)(C)C)c1Br 2369235297 OEAIXXLIQQKVPG-XHBSWPGZSA-N 467.083 7.337 50 10 JKGE COc1ccc(NC(=O)/C(C#N)=C\c2cn(CCOc3ccc(C(C)(C)C)cc3)c3ccccc23)cc1 2769197 UJFBCZVWMOLBPT-QOCHGBHMSA-N 493.607 6.572 50 10 JKGE Cc1ccc([C@H](C(=O)NC2CCCCCC2)N(C(=O)CCl)[C@@H]2CCCc3ccccc32)cc1 3038858 PIZNFYUUSQBBEG-XNMGPUDCSA-N 467.053 6.020 50 10 JKGE CC(C)(C)c1ccc([C@H]2C[C@@H]2C(=O)N/N=C/c2ccc(OC(=O)c3ccc(Cl)cc3)cc2)cc1 6075488 HPIFGKQRASOUIK-SVMVUZLFSA-N 474.988 6.111 50 10 JKGE O=C(NN=Cc1cccc(OCc2ccc([N+](=O)[O-])cc2)c1)c1cc2c(ccc3ccccc32)o1 8437821 BECWSRZVOZPLTO-UHFFFAOYSA-N 465.465 5.837 50 10 JKGE CC(C)(C)c1ccc(OCC(=O)NN=Cc2cc(Br)ccc2OC(=O)c2ccco2)cc1 15990204 KKNZPYUITYVVIJ-UHFFFAOYSA-N 499.361 5.088 50 10 JKGE aggregator ClCCN(CCCl)c1ccc(SCCCCNc2c3ccccc3nc3ccccc23)cc1 26823134 RIZRAWBQTFMLAA-UHFFFAOYSA-N 498.523 7.656 50 10 JKGE CCSc1sccc1[C@H]1C(C#N)=C(N)N(c2ccc(Cl)cc2[N+](=O)[O-])C2=C1C(=O)CCC2 27550409 OBXLDXXBGSHCRE-IBGZPJMESA-N 487.006 5.726 50 10 JKGE COc1ccc(OCCCC(=O)Oc2ccc(/C=C(/C#N)c3ccc(OC)c(OC)c3)cc2)cc1 31901065 BKNNKPSYCJFCST-XLNRJJMWSA-N 473.525 5.541 50 10 JKGE N#C/C(=C/c1ccc(I)cc1)c1nc(-c2ccc(Cl)cc2Cl)cs1 33398812 VZLUBOPPKDASEX-GHXNOFRVSA-N 483.161 6.786 50 10 JKGE N#C/C(=C/c1ccc(OC(=O)c2ccc(Cl)cc2)cc1)C(=O)Nc1ccc([N+](=O)[O-])cc1Cl 33930112 NTSLMPNTYSYYOC-WJDWOHSUSA-N 482.279 5.666 50 10 JKGE CCOC(=O)/C(C#N)=C/c1cn(-c2ccccc2)nc1-c1cccc(OCc2ccccc2F)c1 35446206 HYMCTITWIYBSNW-PXLXIMEGSA-N 467.500 5.727 50 10 JKGE CCOc1ccccc1[C@@H]1C(C#N)=C(N)Oc2cc(OC(=O)[C@H](C)Oc3ccc(CC)cc3)ccc21 38650557 NLIJGMJLFZVGSB-MYUZEXMDSA-N 484.552 5.239 50 10 JKGE Cc1cccc(OCC(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@H]3c2ccc(Cl)c(Cl)c2)c1 38655848 MIFLRESIGVXLNH-DEOSSOPVSA-N 481.335 5.504 50 10 JKGE CCCCOc1ccccc1[C@H]1C(C#N)=C(N)Oc2cc(OC(=O)COc3ccc(C)c(C)c3)ccc21 38682988 NFCKSEZUSCLIEF-GDLZYMKVSA-N 498.579 5.685 50 10 JKGE CCOc1ccccc1[C@@H]1C(C#N)=C(N)Oc2cc(OC(=O)c3oc4c(C)c(C)ccc4c3C)ccc21 38687465 YSXYRYMABLXKRQ-SANMLTNESA-N 494.547 6.194 50 10 JKGE Cc1cc2oc(C(=O)Oc3ccc4c(c3)OC(N)=C(C#N)[C@H]4c3cccs3)c(C)c2cc1Cl 38688422 QPDKEBMWHPDRBX-QFIPXVFZSA-N 476.941 6.202 50 10 JKGE O=C(CCCc1c(-c2ccc3ccccc3n2)[nH]c2ccccc12)NNC(=O)c1ccc([N+](=O)[O-])cc1 39867146 RZUGUQXDAQVBFL-UHFFFAOYSA-N 493.523 5.075 50 10 JKGE CCCCCCOc1ccc(/C=N/NC(=O)COc2ccccc2-c2ccccc2)cc1OC 40911064 ZTUKVJTZVCFCHO-ZTKZIYFRSA-N 460.574 5.850 50 10 JKGE Cc1cccc(NC(=O)/C(C#N)=C\c2cc(Br)ccc2OCc2ccccc2)c1C 59201432 XRHMKSJOSRIHNL-BKUYFWCQSA-N 461.359 6.191 50 10 JKGE COc1cc(N/C=C(\C#N)c2nc(-c3cc4ccccc4oc3=O)cs2)c(OC)cc1Cl 100331383 VZOVCDNIZCPYCS-SDNWHVSQSA-N 465.918 5.564 50 10 JKGE COc1cc(Br)c([C@@H](Br)c2ccc(Cl)c(Cl)c2)cc1OC 109860587 DUAAPMOCIGEFLJ-HNNXBMFYSA-N 454.973 6.257 50 10 JKGE Brc1cc([C@H](Br)Cc2cccc3ccccc23)sc1Br 128586196 BZDOOGPMSJSINB-CYBMUJFWSA-N 475.043 7.105 50 10 JKGE CC(C)Oc1ccc([C@H](Br)c2cc(Br)c(Br)s2)cc1 128864565 QBUZGBJTGAOZSL-ZDUSSCGKSA-N 469.036 6.545 50 10 JKGE CCOc1ccc(-c2cc(C(=O)NN/C=C3\C(=O)C=Cc4ccccc43)c3ccccc3n2)cc1 137259696 RFBLOEIVFYWYCZ-BWAHOGKJSA-N 461.521 5.172 50 10 JKGE Fc1cccc([C@H](Cl)c2cc(Br)ccc2Br)c1Br 156071632 ZZMBKGNLGMIBKH-ZDUSSCGKSA-N 457.362 6.441 50 10 JKGE Fc1cc(Br)cc(F)c1[C@H](Br)c1csc2c(Br)cccc12 163514965 HUQYXRSACVLBII-CQSZACIVSA-N 496.996 7.189 50 10 JKGE N#C/C(=C/N(Cc1ccccc1)Cc1ccccc1)C(=O)Nc1ccc(Cl)c(C(F)(F)F)c1 217249902 DWQIJAXDTUUKQG-JZJYNLBNSA-N 469.894 6.407 50 10 JKGE Cc1cc(I)ccc1NC(=O)/C(C#N)=C\Nc1cccc(Cl)c1C 217253681 PLITXARQQLIGJI-RAXLEYEMSA-N 451.695 5.020 50 10 JKGE Cc1cc([C@H](Br)c2cc(Br)ccc2Br)sc1Cl 226689495 BDNQWSKPSRBMQL-LLVKDONJSA-N 459.428 6.719 50 10 JKGE Cc1cc(Br)cc(-n2c(CCl)nc3cc(I)ccc32)c1 232044235 PIVUQJGOOHJKEU-UHFFFAOYSA-N 461.528 5.440 50 10 JKGE CC(=NNC(=O)c1sc2cc(Br)ccc2c1Cl)c1ccc([N+](=O)[O-])cc1 252594314 BQSZPFGKFWNVAS-UHFFFAOYSA-N 452.717 5.379 50 10 JKGE O=C(NN=Cc1c(O)ccc2ccccc12)/C(=C/c1cccs1)NC(=O)c1ccccc1Cl 252607364 HBKJSGCWJDEUIZ-JNZIODRQSA-N 475.957 5.182 50 10 JKGE CCCOc1ccc(Br)cc1C=NNC(=O)[C@@H](C)Sc1nc2ccccc2s1 254304581 KVHRYRWEKRHRBE-CYBMUJFWSA-N 478.437 5.479 50 10 JKGE N#CC1=C(N)OC2=C(CN(Cc3ccccc3)C/C2=C/c2ccccc2F)[C@H]1c1ccccc1F 254578692 HFEXFMDVCIDAAN-XNUZZZSSSA-N 467.519 5.626 50 10 JKGE 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@@]12C 254700012 WUBOZGDSEKAKCR-LIWKOKORSA-N 465.162 8.258 50 10 JKGE COc1cc(C=NNC(=O)Nc2ccccc2)ccc1OCCOc1ccc(C2CCCCC2)cc1 254704611 NDINGKLGNQSUEY-UHFFFAOYSA-N 487.600 6.356 50 10 JKGE CCN(CC)c1ccc(C=NNC(=O)CSc2nc3ccccc3n2Cc2ccc(C)cc2)cc1 254868592 OTGYHXARWJPIGD-UHFFFAOYSA-N 485.657 5.482 50 10 JKGE Brc1ccc([C@H](Br)c2sccc2I)cc1 306735967 WYXCYEAUKXNXQW-JTQLQIEISA-N 457.956 5.600 50 10 JKGE BrCc1ccc(N2C[C@H]3CCN(Cc4ccccc4)C[C@H]3C2)c(Br)c1 311206258 JMAOFQRFXCMXAD-MOPGFXCFSA-N 464.245 5.302 50 10 JKGE C[C@@]1(Cn2c(CCl)nc3cc(Br)c(F)cc32)CCN(Cc2ccccc2)C1 312334778 AFYFAHHYLLRKNO-OAQYLSRUSA-N 450.783 5.589 50 10 JKGE Fc1cc2c(cc1Br)nc(CCl)n2C[C@@H]1CCCN(Cc2ccccc2)C1 312389159 CPEFETWOENVHKA-MRXNPFEDSA-N 450.783 5.589 50 10 JKGE Fc1ccc(Br)cc1[C@@H](Br)c1scc(C(F)(F)F)c1Br 312951610 KQZXUTYZDIGIPB-SECBINFHSA-N 496.943 6.915 50 10 JKGE CC(C)(C)C[C@@H](CBr)NC(=O)c1cc(Br)cc(Br)c1 393460876 FZBFHMZOKHISMV-LBPRGKRZSA-N 456.016 5.141 50 10 JKGE COc1cc([C@@H]2CN(C(=O)OCc3ccccc3)C[C@@H]2CI)ccc1Cl 394797953 RGWVGOGXSAQROY-IRXDYDNUSA-N 485.749 5.136 50 10 JKGE CC(C)(C)[Si](C)(C)OCc1ccc([C@@H]2CCCCN(S(=O)(=O)c3ccccc3)C2)cc1 616631326 WZCPABSACQDRIK-HSZRJFAPSA-N 459.728 6.167 50 10 JKGE C[C@]12CN(Cc3ccccc3)C[C@@H]1CN(c1ccc(CBr)c(Br)c1)C2 702089631 PRIDEZCAHJKABH-WIYYLYMNSA-N 464.245 5.302 50 10 JKGE C[C@H](Br)C[C@@H]1CCCCN1C(=O)c1scc(Br)c1Br 705420383 RMEKHMFDSYJJJS-IUCAKERBSA-N 474.056 5.441 50 10 JKGE COc1ccc(Oc2ccc(Cl)cc2CBr)cc1I 712920607 VSDGNEGIOBFBKJ-UHFFFAOYSA-N 453.501 5.640 50 10 JKGE COc1ccc([C@@H](Cl)c2ccc(I)c(Br)c2)cc1F 721601087 CUGDKUNDBLKYHE-AWEZNQCLSA-N 455.492 5.530 50 10 JKGE Cc1cc(C=NNC(=O)C(=O)Nc2cccc(C(F)(F)F)c2)c(C)n1-c1cc(Cl)ccc1Cl 1084091390 VRUPYCPJAXDJDW-UHFFFAOYSA-N 497.304 5.509 50 10 JKGE CC(=NNC(=O)c1ccc(CSc2ccccc2)cc1)c1cccc(I)c1 1084280971 WERJVIJFIYABSZ-UHFFFAOYSA-N 486.378 5.738 50 10 JKGE Cc1ccc(NC(=O)/C(C#N)=C\c2cn(Cc3ccc(Br)cc3)c3ccccc23)cc1C 1084304141 RWVUUGXWNXAVMN-STZFKDTASA-N 484.397 6.615 50 10 JKGE CC(C)(C)OC(=O)N1C[C@H](c2ccc(OC(C)(C)C)cc2)[C@@H](CI)C1 1614621512 GSXRGCCLWIKONL-DOTOQJQBSA-N 459.368 5.249 50 10 JKGE O=C(OCc1ccccc1)N1C[C@@H](CI)[C@H](c2ccccc2OC(F)F)C1 1614626592 INXZLUBALKGHSL-NVXWUHKLSA-N 487.284 5.075 50 10 JKGE Cc1c(C(=O)N2c3ccc(F)cc3CC[C@H]2C)oc2c1C(=NNC(=O)c1ccc(Cl)cc1)CCC2 1772744574 ZTIGWGRRATUJND-OAHLLOKOSA-N 493.966 5.832 50 10 JKGE CCCc1nn(Cc2c(F)cccc2Cl)c2c1[C@H](c1cccc3ccccc13)C(C#N)=C(N)O2 1865682075 FGOSPYUFXPKYGP-XMMPIXPASA-N 472.951 6.048 50 10 JKGE N#CC1=C(N)Oc2c(c(-c3ccccc3)nn2-c2ccc(Cl)c(Cl)c2)[C@@H]1c1cccc(Cl)c1 1865683073 FJWBDZTXAHNCCJ-OAQYLSRUSA-N 493.781 6.718 50 10 JKGE CCCCCOc1ccc([C@H]2C(C#N)=C(N)Oc3c2c(CC)nn3CC(C)C)cc1OCC 1865690997 GWUUJCHJYHRLMM-QHCPKHFHSA-N 452.599 5.287 50 10 JKGE CCCCCOc1ccc([C@H]2C(C#N)=C(N)Oc3c2c(CC)nn3-c2ccccc2Cl)cc1OC 1865696331 MAAOYYZAQVJDHK-DEOSSOPVSA-N 493.007 5.884 50 10 JKGE C[C@H]1COC[C@@H](C)N1c1cc(Nc2ccc(SC#N)cc2)nc(-c2ccccc2Cl)n1 1868413612 BWNYTEIEDDRHHY-IYBDPMFKSA-N 451.983 5.727 50 10 JKGE CCOC(=O)Oc1ccc(/C(O)=C(\C#N)c2nc(-c3ccc(Br)cc3)cs2)cc1 1872746762 XBDXEAXXVIVFOU-ZPHPHTNESA-N 471.332 6.058 50 10 JKGE CCCCc1ccc(N2C[C@@H](/C(O)=C(\C#N)c3nc(-c4ccc(C)cc4C)cs3)CC2=O)cc1 1872748550 BXOIELDMEBTPQI-AQTDBHCXSA-N 471.626 6.615 50 10 JKGE N#C/C(=C(/O)CNC(=O)c1ccc(Cl)cc1)c1nc(-c2ccc(Cl)c(Cl)c2)cs1 1872748638 GTSNEBIVHYGHSN-JXAWBTAJSA-N 464.761 5.993 50 10 JKGE COc1c(C)cc(Cl)cc1-c1csc(/C(C#N)=C(\O)Cc2cc(Cl)ccc2Cl)n1 1872757004 LXEGPJDYCGTRPA-MNDPQUGUSA-N 465.789 7.123 50 10 JKGE Cc1ccccc1COc1ccc(/C=C(\C#N)c2nc(-c3ccc4c(c3)OCO4)cs2)cc1 1872792448 ZLLWRVUEYZYWTH-WSDLNYQXSA-N 452.535 6.490 50 10 JKGE O=C(c1cc(Br)sc1Br)N1CC[C@]2(CCC[C@@H]2Br)C1 1918915990 KUCCIMISUGFDQY-TVQRCGJNSA-N 472.040 5.053 50 10 JKGE Cc1c(Br)sc([C@@H](Cl)c2nscc2Br)c1Br 1922879935 APDMNMOMZWQIIL-LURJTMIESA-N 466.445 6.129 50 10 JKGE COCc1csc([C@H](Br)c2sc(Br)cc2Br)c1 1922888371 QBAGZTCVXCMFHM-JTQLQIEISA-N 461.038 5.965 50 10 JKGE Clc1c(Br)sc(Br)c1[C@@H](Cl)c1coc(Br)c1 1923038184 HMNCRDZBOYRZEO-LURJTMIESA-N 469.807 6.610 50 10 JKGE CC1([C@@H](Br)c2c(Br)sc(Br)c2Cl)CC(F)(F)C1 1923061637 LOMYVUDTWBNAOK-LURJTMIESA-N 473.402 6.798 50 10 JKGE Clc1c(Br)sc(Br)c1[C@H](Br)[C@H]1CCCOC1 1923067641 GSVPUBWRHGZRSI-CAHLUQPWSA-N 453.421 5.789 50 10 JKGE Brc1sc(Br)c([C@H](Br)C2[C@H]3CCC[C@H]23)c1Br 1924576736 RSIYVKREWSBRNA-ZVQZEWSASA-N 493.884 6.518 50 10 JKGE Cl[C@@H](CC[C@H]1CCCO1)c1c(Br)sc(Br)c1Br 1924583144 GLDMGNLYVNIBJW-RQJHMYQMSA-N 467.448 6.275 50 10 JKGE C[C@@H]1Cc2cc(Br)cc([C@@H](Br)c3csnc3Br)c2O1 1925265107 VTNDZVICXIOFCY-KSBSHMNSSA-N 468.008 5.476 50 10 JKGE CCn1cc([C@H](Cl)c2c(Cl)sc(Br)c2Cl)nc1Br 1925617370 HWWXRYCGHXAXOE-LURJTMIESA-N 453.414 6.125 50 10 JKGE CCC1([C@@H](Cl)c2c(Br)sc(Br)c2Br)CCC1 1940117571 LUUDKPCMRFIQOJ-QMMMGPOBSA-N 451.449 6.896 50 10 JKGE BrCc1c(Br)cccc1N(Cc1ccccc1)CC1CCCCC1 1946741718 LDAJEULXKJHOCG-UHFFFAOYSA-N 451.246 6.931 50 10 JKGE Clc1c(Br)sc(Br)c1[C@H](Br)C[C@H]1C[C@H]2C[C@H]2C1 1950172877 ALSURCWKDSTUEA-OOJXKGFFSA-N 463.460 6.799 50 10 JKGE Clc1c(Br)sc(Br)c1[C@H](Br)[C@@H]1C[C@]12CCOC2 1950627691 DLRVXJPCXZXYRY-MJIFXRKESA-N 465.432 5.789 50 10 JKGE Brc1cc(Br)c([C@@H](Br)C2(Br)CC2)s1 1953917383 FIFLWIRMATYPKG-SSDOTTSWSA-N 453.819 5.637 50 10 JKGE Cc1cc([C@@H](Br)c2c(Br)sc(Br)c2Cl)sc1Cl 2000996714 AXBQUTWDNULXST-ZCFIWIBFSA-N 499.902 7.434 50 10 JKGE FC1(F)C[C@]12C[C@H]2[C@@H](Cl)c1c(Br)sc(Br)c1Br 2004507408 LZTKABZHUJMXHS-KCPCGSIISA-N 471.386 6.361 50 10 JKGE Clc1c(Br)sc(Br)c1[C@@H](Br)[C@]12C[C@H](CCO1)C2 2019933768 JYOSPKLAQWDMIX-MEQXXCBNSA-N 465.432 5.932 50 10 JKGE Clc1csc([C@H](Br)c2ccc(Br)cc2Br)c1Cl 2024283504 QPIXSWLEVIGZMB-SECBINFHSA-N 479.846 7.064 50 10 JKGE Fc1ccc([C@@H](Br)c2ccc(Br)cc2I)cc1 2026220772 HNUXXTYPWDERMS-CYBMUJFWSA-N 469.917 5.677 50 10 JKGE BrCc1ccc(N2CC[C@@H]3CN(Cc4ccccc4)C[C@H]3C2)cc1Br 2049664065 DTBVVBVKOLXFBM-MOPGFXCFSA-N 464.245 5.302 50 10 JKGE CN(C(=O)c1csc(Br)c1Br)C1(CBr)CCCC1 2050800542 LAPPDJCYKAQEBS-UHFFFAOYSA-N 460.029 5.053 50 10 JKGE CC(C)CN(Cc1ccccc1)S(=O)(=O)c1cc(Cl)cc(CBr)c1Cl 2059315233 WZBTUKOFXQELFK-UHFFFAOYSA-N 465.240 5.735 50 10 JKGE FC(F)([C@@H]1CCOC1)[C@H](Br)c1c(Br)sc(Br)c1Cl 2065536774 USXCHZODQOVABX-CLZZGJSISA-N 489.401 6.034 50 10 JKGE COc1c(Cl)cc(Br)cc1[C@H](Br)c1ccc(Br)s1 2082859235 PIRJJHALHDTELG-NSHDSACASA-N 475.427 6.419 50 10 JKGE Fc1cc(Cl)c([C@H](Br)c2ccccc2I)cc1Cl 2083776887 AFCSDVRIBUAPSG-CYBMUJFWSA-N 459.911 6.221 50 10 JKGE BrCCN(Cc1c(Br)cccc1Br)C1CCCCC1 2094099617 MAWNRRRQHAOFSJ-UHFFFAOYSA-N 454.044 5.741 50 10 JKGE C[C@@]1(CBr)CC(F)(F)CN1Cc1c(Br)cccc1Br 2102794999 NLINZFFXOXCENF-LBPRGKRZSA-N 461.970 5.206 50 10 JKGE Cc1cc(Br)c([C@H](Br)C[C@H]2CCC23CCC3)cc1Br 2110459119 RZOIFZRNWZWCDU-IAQYHMDHSA-N 451.040 6.926 50 10 JKGE COC[C@H](C)CCC(CBr)(CBr)c1ccc(Br)cc1 2130999136 PWSNTCFUILEFSD-GFCCVEGCSA-N 457.044 5.539 50 10 JKGE COc1c(Cl)cc(Br)cc1[C@H](Br)c1scc(Cl)c1Cl 2138255225 KEVYWOOBNOPQHD-VIFPVBQESA-N 465.421 6.964 50 10 JKGE Cc1c(Br)ccc([C@@H](Br)C2CC3(CCCC3)C2)c1Br 2138871424 FVOSLLVXXNZXQX-HNNXBMFYSA-N 451.040 6.926 50 10 JKGE O=C(N[C@H]1CCCC[C@H]1CCBr)c1cc(Br)ccc1Br 2146721291 YNWBBQCJIKTTMW-HZMBPMFUSA-N 468.027 5.285 50 10 JKGE O=C(c1cc(Br)cc(Br)c1)N1CCC[C@@H](CCBr)CC1 2149744849 QJEZHUVRXOMLBO-NSHDSACASA-N 468.027 5.239 50 10 JKGE Clc1ccc(I)c(CN2CCC3(CCC(Br)CC3)C2)c1 2156009200 BGVUNKXBQHNKPS-UHFFFAOYSA-N 468.604 5.474 50 10 JKGE Fc1ccc(N2CCC[C@]3(CCN(Cc4ccccc4)C3)C2)c(CBr)c1Cl 2163313129 QQCDHBBCIRFYSL-JOCHJYFZSA-N 451.811 5.867 50 10 JKGE Fc1cc(Br)cc(N2Cc3ccc(Br)cc3C2)c1CBr 2170699528 RMTFTQOFZSKRDU-UHFFFAOYSA-N 463.970 5.766 50 10 JKGE COc1cc(C)c([C@@H](Br)c2cccc(F)c2Br)cc1Br 2198736636 GQONGQZQZVUDEU-AWEZNQCLSA-N 466.970 6.152 50 10 JKGE COCc1csc([C@@H](Br)c2c(C)c(Br)cc(C)c2Br)c1 2201063533 UCDOHNDFLLWCSU-OAHLLOKOSA-N 483.063 6.521 50 10 JKGE COc1cc(Cl)c([C@@H](Br)c2ccc(C)cc2Br)cc1Br 2202350704 FZAVXTRQBISRIW-HNNXBMFYSA-N 483.425 6.666 50 10 JKGE CCc1nc([C@@H](Br)c2cc(Br)c(OC)cc2F)c(Br)s1 2202901655 FSZAHSPNXYOQDQ-NSHDSACASA-N 488.014 5.863 50 10 JKGE COc1cc(C)c([C@@H](Cl)c2ccc(I)c(C)c2)cc1Br 2207111248 OCYBERJSKCBJQY-INIZCTEOSA-N 465.556 6.007 50 10 JKGE CC[C@H](Br)CN(Cc1ccccc1)C(=O)c1cc(C)ccc1I 2212708686 UREIHRZWYOVARR-INIZCTEOSA-N 486.191 5.416 50 10 JKGE Cc1ccc([C@H](Br)c2cc(Br)c(C)s2)c(C)c1Br 2218970997 WEQRPBPPOZJGKQ-AWEZNQCLSA-N 453.037 6.683 50 10 JKGE COc1cc(Br)c([C@H](Br)c2cc(Br)sn2)cc1C 2220439326 SXPPIYKPKXDQKU-LBPRGKRZSA-N 455.997 5.469 50 10 JKGE CC1(C)CCC([C@@H](Br)c2cc(Br)c(Br)cc2F)CC1 2225616500 OYHRQNOGLCUMJA-CQSZACIVSA-N 457.019 7.003 50 10 JKGE Cc1cc(Br)c([C@H](Br)c2c(Cl)c(C)nn2C)cc1Br 2232161264 HODVCYQXPBIINK-NSHDSACASA-N 471.418 5.700 50 10 JKGE Cc1cc(Br)c([C@@H](Br)c2nn(C)c(Cl)c2Cl)c(C)c1Cl 2232510349 MJJOJOPJNFLDND-SECBINFHSA-N 461.412 6.244 50 10 JKGE Clc1cc(Br)c([C@H](Br)[C@@H]2CC3(CCC3)CO2)c(Cl)c1Cl 2232512482 NJGWMEYSFHBTCZ-GXSJLCMTSA-N 463.424 6.805 50 10 JKGE Clc1cc(Br)c([C@@H](Br)C2CC3(CCCC3)C2)c(Cl)c1Cl 2232527943 FUBWBHYUYVSXOJ-LBPRGKRZSA-N 461.452 7.816 50 10 JKGE Cc1cc(Br)c([C@@H](Br)[C@@]2(C)CCCC2(F)F)c(C)c1Br 2235602089 CHJYNYYOAFBLIX-ZIAGYGMSSA-N 475.009 7.090 50 10 JKGE Cc1cc(Br)c([C@H](Br)[C@@H]2[C@H](C)O[C@H](C)[C@@H]2C)c(C)c1Br 2235604258 NCADRVQZFIVICN-LAQCGZICSA-N 469.055 6.324 50 10 JKGE Cn1nc([C@@H](Br)c2ccc3c(c2Br)CCO3)c(Br)c1Cl 2238068444 VPFDCCHJGVUUGZ-JTQLQIEISA-N 485.401 5.018 50 10 JKGE O=C(Nc1ccc(Cl)cc1CBr)c1c(Br)cccc1Br 2239473271 IMVFXTNYAWRQRQ-UHFFFAOYSA-N 482.397 6.012 50 10 JKGE C[C@H](c1ccncc1Br)[C@H](Br)c1scc(Br)c1Cl 2253596255 ARJMLYWXVBWJFN-LDWIPMOCSA-N 474.443 6.561 50 10 JKGE Cc1cc(Br)c(F)c([C@@H](Br)c2sc(C)c(C)c2Br)c1 2264432235 LIMIMQQQFFDZDM-GFCCVEGCSA-N 471.027 6.822 50 10 JKGE COc1c([C@H](Cl)c2cscc2OCc2ccccc2)cc(Br)c(C)c1C 2269110277 MHQUVFMZCKPIDT-FQEVSTJZSA-N 451.813 7.043 50 10 JKGE Cc1cc(C(F)(F)F)sc1[C@H](Br)c1sc(Br)cc1Br 2277712206 AOWVLIHADRSWBI-QMMMGPOBSA-N 499.009 7.146 50 10 JKGE Fc1cc(C[C@H](Br)c2cccc(Br)c2Br)ccc1Cl 2277799578 NJBBAIBVOHYLDV-NSHDSACASA-N 471.389 6.683 50 10 JKGE C[C@H](Br)CN(c1ncc(C(F)(F)F)cc1I)C(C)(C)C 2288107944 JHNTVWHRIBMWSR-QMMMGPOBSA-N 465.095 5.093 50 10 JKGE CO[C@@H]1CCC[C@@H]([C@@H](Br)c2c(F)cc(Br)c(F)c2Br)C1 2288355303 FFLCQAXCYAGJPD-DNSOKLHBSA-N 476.981 6.131 50 10 JKGE N#CC(=Cc1cc(Br)c(O)c(Br)c1)C(=O)Nc1cccc(C(F)(F)F)c1 2293034762 IXZCLYJWALRSNO-UHFFFAOYSA-N 490.073 5.482 50 10 JKGE CCCCOc1ccc(C=C(C#N)C(=O)Nc2ncc(Cc3ccccc3Cl)s2)cc1OC 2293038832 TVVGEDGVXNRNAV-UHFFFAOYSA-N 482.005 6.120 50 10 JKGE Cc1ccc(-c2csc(C(C#N)=CNc3ccccc3OC(F)(F)[C@H](F)Cl)n2)c(C)c1 2295934438 XWWDLKYKGXBJQZ-NRFANRHFSA-N 463.912 6.910 50 10 JKGE CC(C)(C)c1ccc(Oc2nc3ccccn3c(=O)c2C=C(C#N)c2nc3ccccc3[nH]2)cc1 2297318617 UQUGFARTVWSTCN-UHFFFAOYSA-N 461.525 5.725 50 10 JKGE C[C@@H]1OCC[C@H]1C[C@H](Br)c1ccc(OCc2ccccc2)cc1Br 2299492912 JLEXWVIHJUGKSK-QOKNQOGYSA-N 454.202 6.279 50 10 JKGE Cn1c([C@@H](Br)c2ccc(OCc3ccccc3)cc2Br)cnc1Cl 2299504363 MOVFBBMZNDQZRV-KRWDZBQOSA-N 470.592 5.899 50 10 JKGE Cc1scc([C@H](Br)c2cc(Br)ccc2OCc2ccccc2)c1C 2299527404 HRCPVMKNBRGZRU-HXUWFJFHSA-N 466.238 7.191 50 10 JKGE CC1(C)CCC[C@@H]1[C@H](Br)c1cc(Br)ccc1OCc1ccccc1 2299535317 NOFHTOUNUQMPAH-UYAOXDASSA-N 452.230 7.290 50 10 JKGE CC[C@@](C)(C(F)F)[C@H](Br)c1sc(Br)c(C)c1Br 2299839344 USLUUTHTVXCPDK-LDYMZIIASA-N 455.000 6.699 50 10 JKGE CCCc1sc(Br)cc1[C@@H](Br)c1sccc1Br 2300645065 HNBRFFZMQZDALX-LLVKDONJSA-N 459.066 6.771 50 10 JKGE COc1cc(C=C(C#N)c2ccc([N+](=O)[O-])cc2)cc(Cl)c1OCc1ccc(Cl)cc1Cl 2313541023 KXJVRFGPYKLYDC-UHFFFAOYSA-N 489.742 7.207 50 10 JKGE CC1(C)OCCO[C@@H]1[C@@H](Br)c1ccc(OCc2ccccc2)cc1Br 2314442232 AVBCYVWOCRIYPK-RBUKOAKNSA-N 470.201 5.658 50 10 JKGE CC(C)C[C@H](C(C)C)[C@@H](Br)c1cc(Br)ccc1OCc1ccccc1 2314455428 OSOGEWLSSLYDMH-DENIHFKCSA-N 468.273 7.782 50 10 JKGE N#CC(=Cc1ccc(-c2cc(C(F)(F)F)ccc2Cl)o1)c1nc(-c2ccccc2)cs1 2314482439 KWVSSDBTJJDLNK-UHFFFAOYSA-N 456.876 7.806 50 10 JKGE CCOC(=O)c1c(NC(=O)C(C#N)=Cc2ccc(-c3ccccc3Cl)o2)sc(C)c1C 2314571337 DWIAKTWWYOAZQW-UHFFFAOYSA-N 454.935 6.001 50 10 JKGE COc1cc(C=C(C#N)c2ccccc2)ccc1OC(=O)COc1ccc(-c2ccccc2)cc1 2314720091 DOJVFAILHCPYKF-UHFFFAOYSA-N 461.517 6.411 50 10 JKGE CCCCCCCCCOc1ccc(C=NNC(=O)c2sc(=N)[nH]c2CC)cc1Cl 2323177162 CICNUNDRIGPJAL-UHFFFAOYSA-N 451.036 5.665 50 10 JKGE N#CC(=CNc1ccc(Nc2ccccc2)cc1)C(=O)Nc1ccccc1Sc1ccccc1 2325339287 MPUFZXOGWIJELZ-UHFFFAOYSA-N 462.578 7.039 50 10 JKGE CCn1cc(C=C2Oc3cc(OCc4cccc(CCl)c4)cc(C)c3C2=O)c2cc(OC)ccc21 2325363363 GYGFZNILRVAMON-UHFFFAOYSA-N 487.983 6.912 50 10 JKGE N#CC(=C(O)c1cc(C(F)(F)F)cc(C(F)(F)F)c1)c1nc(-c2cccc(Cl)c2)cs1 2331294258 IMNUJEINZRSJOK-UHFFFAOYSA-N 474.813 7.451 50 10 JKGE COc1c(Cl)cc(Cl)cc1-c1csc(C(C#N)=C(O)c2cc3ccccc3oc2=O)n1 2331364080 JNPHTFKHDSOUOE-UHFFFAOYSA-N 471.321 6.182 50 10 JKGE Cc1cc(C)c(C)c(-c2csc(C(C#N)=C(O)[C@@H](C(C)C)N3C(=O)c4ccccc4C3=O)n2)c1C 2331364541 KIPMIJNYTOVOEG-XMMPIXPASA-N 485.609 6.157 50 10 JKGE COc1c(Cl)cc(-c2csc(C(C#N)=C(O)CCCOc3ccc(C)cc3)n2)cc1Cl 2331397437 CIUUOZMBXRBXDP-UHFFFAOYSA-N 475.397 7.086 50 10 JKGE COc1cc(C)c(-c2csc(C(C#N)=C(O)[C@H]3CC(=O)N([C@@H](C)c4ccccc4)C3)n2)cc1C 2331402817 UXLIGRFEVZQHJD-ICSRJNTNSA-N 473.598 5.838 50 10 JKGE CCOc1cc(C=C(C#N)c2nc(-c3ccc4c(c3)CCCC4)cs2)ccc1OCc1ccccc1 2331416398 FAQCMUJYHUOLIK-UHFFFAOYSA-N 492.644 7.731 50 10 JKGE Fc1cc([C@@H](Br)c2cc(Br)ccc2OCc2ccccc2)cc(F)c1F 2336076253 XCEMXXKVVOGTFF-LJQANCHMSA-N 486.125 6.930 50 10 JKGE COc1c(Br)cc(C)c([C@@H](Br)[C@@H]2CCC2(C)C)c1Br 2339657691 AJZWVNIKMZXYGA-CABZTGNLSA-N 455.028 6.401 50 10 JKGE CC[C@H](CC(C)C)[C@@H](Br)c1c(C)cc(Br)c(F)c1Br 2339679126 KLRYYUMRUWSQPK-ZWNOBZJWSA-N 459.035 7.167 50 10 JKGE COc1c(Br)cc(C)c([C@H](Br)C(C)(C)C(F)F)c1Br 2339689655 FGNFOTMEKAWOOH-NSHDSACASA-N 464.970 6.256 50 10 JKGE Clc1ccc([C@H](Br)c2ccc(CC3CC3)s2)c(I)c1 2340065587 VQXMWMMNHAIHSW-HNNXBMFYSA-N 467.597 6.443 50 10 JKGE Clc1cccc([C@H](CBr)OCc2cccc(I)c2)c1 2341611674 LNMXEUQIFBSFSG-HNNXBMFYSA-N 451.529 5.597 50 10 JKGE ClC[C@H]1C[C@@H]2CCC[C@@H]2N1Cc1ccc(I)c(Br)c1 2349838641 CKNDDJHPDCWNKG-ZOWXZIJZSA-N 454.577 5.036 50 10 JKGE ClCc1nc(OCc2ccc(I)c(Br)c2)ccc1Cl 2350073160 LISSBULIECHNHH-UHFFFAOYSA-N 472.935 5.420 50 10 JKGE BrCC(CBr)(C[C@@H]1C[C@@H]2CC[C@H]1O2)c1ccccc1Br 2355002993 ARKFGNHVHSPILX-SLEUVZQESA-N 467.039 5.434 50 10 JKGE Clc1ccc(CN2Cc3ccc(CBr)cc3C2)cc1I 2362380913 UMMNMPQXUFSDEG-UHFFFAOYSA-N 462.556 5.355 50 10 JKGE Cc1cc(Br)c(F)c(Br)c1[C@@H](Br)C1CCC(C)(C)CC1 2365189863 ZCLUUCMMLKYVAD-ZDUSSCGKSA-N 471.046 7.312 50 10 JKGE CCc1cc(Br)c(OC)c([C@H](Br)c2cc(C)sc2Br)c1 2381257333 CKJXQZRHIUVPNN-ZDUSSCGKSA-N 483.063 6.637 50 10 JKGE Cc1cc(Cl)c([C@H](Cl)Cc2cc(Br)cc(Br)c2)c(Cl)c1 2381259189 AFZOOZUTZDPBIP-CQSZACIVSA-N 457.420 7.349 50 10 JKGE Cc1ccccc1N/C(SCC(=O)Nc1c(C)cccc1C(C)C)=C(\C#N)C(=O)c1ccccc1 3318630 OWIHJOGIPQPTIR-OLFWJLLRSA-N 483.637 6.829 50 10 JKGE CSc1sc(C)cc1[C@H]1C(C#N)=C(N)N(c2ccccc2C)C2=C1C(=O)C[C@H](c1ccccc1)C2 9982505 GHLNRGIZCWMQEN-IBVKSMDESA-N 497.689 6.785 50 10 JKGE CCOC(=O)c1c(NC(=O)/C(C#N)=C/c2ccc(-c3ccc(C)cc3[N+](=O)[O-])o2)sc(C)c1C 14151253 DQAALAVGACNSER-LFIBNONCSA-N 479.514 5.564 50 10 JKGE CC(C)COc1ccc(Br)cc1C(=O)NNC(=O)C(c1ccccc1)c1ccccc1 14666928 YRJGIVXPNINKNR-UHFFFAOYSA-N 481.390 5.077 50 10 JKGE CCCOc1ccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)COc4ccc(CC)cc4)ccc32)cc1 38650710 UWMUFWJVBIYQRZ-NDEPHWFRSA-N 484.552 5.240 50 10 JKGE N#CC1=C(N)Oc2cc(OC(=O)c3ccco3)ccc2[C@H]1c1ccc(OCc2ccccc2F)cc1 38686416 UTWSETWFGDIYEL-AREMUKBSSA-N 482.467 5.435 50 10 JKGE COc1ccccc1C(=O)N/N=C1\CCCc2oc(C(=O)Oc3ccc(Cl)c(C)c3)c(C)c21 40813239 LTDQRGTTYJMPCC-ZXVVBBHZSA-N 466.921 5.248 50 10 JKGE C=CCc1cc(/C=N\NC(=O)CC[C@@H](O)c2ccccc2)cc(OCC)c1OCc1ccccc1C#N 58892262 XLONIPMJFRDENG-LXFFMDAQSA-N 497.595 5.228 50 10 JKGE CCOc1ccc([C@H](O)CCC(=O)N/N=C\c2ccc(OCc3ccc4ccccc4c3)cc2)cc1 58893728 PFTCKSZLCJYSMZ-QQEKRWHXSA-N 482.580 5.781 50 10 JKGE CCOc1ccc(/C=N/NC(=O)CSc2c(Cl)c(Cl)c(Cl)c(Cl)c2Cl)cc1 59147957 NZSOLQVUAJWPSV-HCGXMYGOSA-N 486.635 6.595 50 10 JKGE Fc1cc(Br)c(Cl)cc1[C@@H](Br)c1sccc1Br 97895949 GNQLYHUPYANSDH-SNVBAGLBSA-N 463.391 6.550 50 10 JKGE CC1=C(C#N)C(=O)N([C@H](C)c2ccccc2)C(=O)/C1=C/c1cn(-c2ccccc2)nc1-c1ccccc1 101337440 QIFAXNGKKQWVPJ-XHOYQDIRSA-N 484.559 5.893 50 10 JKGE Cc1ccc(-c2csc(/C(C#N)=C\Nc3ccc(Cl)cc3C(=O)c3ccccc3)n2)c(C)c1 102416417 QTWIUJCHXPZSFA-HKWRFOASSA-N 469.997 7.288 50 10 JKGE CCOC(=O)c1c(N/C=C(\C#N)c2nc(-c3ccc(Br)cc3)cs2)sc(C)c1C 102924697 JWXVEYMSGRGNKG-XNTDXEJSSA-N 488.432 6.404 50 10 JKGE Fc1ccc([C@@H](Cl)c2cc(Br)sc2Br)c(Br)c1 104029907 BRKAOMDYJOVCSL-SNVBAGLBSA-N 463.391 6.503 50 10 JKGE Brc1cc([C@H](Br)c2cc3c(s2)CCC3)sc1Br 128286768 ZXZTXVTWIFZTBW-LLVKDONJSA-N 457.050 6.308 50 10 JKGE Fc1cc2nc(CCl)n(-c3ccc(I)cc3)c2cc1Br 158512949 LBBXHDNXPNGZOM-UHFFFAOYSA-N 465.491 5.271 50 10 JKGE C[C@@H]1CCC[C@@](CBr)(NC(=O)c2cc(Br)ccc2Br)C1 161224393 CTPIKBZHEBAMKY-MEBBXXQBSA-N 468.027 5.285 50 10 JKGE COc1cc(/C=N\NC(=O)c2c(C)ccc3ccccc23)cc(Br)c1OC(C)C 169921825 WNKSXNWIDAUGPO-MXAYSNPKSA-N 455.352 5.470 50 10 JKGE CCOc1ccc(C)cc1[C@H](Br)c1cc(Br)sc1Br 233781833 ALKXUDSQYCHJMZ-ZDUSSCGKSA-N 469.036 6.465 50 10 JKGE Cc1sc([C@H](Cl)c2cc(Br)cc(Br)c2)cc1Br 235974732 BGQNMLSXXGZGPS-GFCCVEGCSA-N 459.428 6.672 50 10 JKGE Clc1cc(Br)cc([C@H](Br)c2csc3c(Br)cccc23)c1 236057898 KGRXAZDAVYARIQ-AWEZNQCLSA-N 495.461 7.564 50 10 JKGE Clc1cc([C@H](Br)c2cc(Br)cc(Br)c2)c(Cl)s1 236071138 VMUZWOUBFHDBOZ-SNVBAGLBSA-N 479.846 7.064 50 10 JKGE CCN(CC)c1ccc(/C=C(\NC(=O)c2ccccc2Cl)C(=O)NN=Cc2ccc(F)cc2)cc1 252618112 LDXCSDQAICZLRU-MMSUECENSA-N 492.982 5.247 50 10 JKGE CCCOc1ccc(C(=O)Oc2ccc(C=NNC(=O)c3cc4ccccc4cc3O)cc2OC)cc1 254304887 DDSUORVBIQNGBL-UHFFFAOYSA-N 498.535 5.326 50 10 JKGE CCOc1ccccc1C=NNC(=O)CCCCCCCCC(=O)NN=Cc1ccccc1OCC 254491817 OBEUQTFKGNUOBJ-UHFFFAOYSA-N 494.636 5.205 50 10 JKGE Cc1cc(Cl)ccc1NCc1nnc(S[C@@H](C)C(=O)NN=Cc2ccco2)n1-c1ccccc1 254870238 RFKMKUDHYSOPBG-KRWDZBQOSA-N 495.008 5.065 50 10 JKGE CCN(C[C@@](C)(CI)OCC1CCCCCC1)C(=O)OC(C)(C)C 304205788 JPYZHCVQMWWPKU-LJQANCHMSA-N 453.405 5.424 50 10 JKGE C[C@H](Cl)c1nc2cc(I)ccc2n1[C@H]1CCCN(Cc2ccccc2)C1 311252139 LSLZJYWZEUKZGN-YJBOKZPZSA-N 479.793 5.778 50 10 JKGE Cc1ccc([C@@H](Cl)c2cc(I)cc3c2OCC3)c(Br)c1 312264814 FHVAEKSOITVDSK-OAHLLOKOSA-N 463.540 5.625 50 10 JKGE C[C@H]1[C@@H](n2c(CCCl)nc3cc(F)c(Br)cc32)CCN1Cc1ccccc1 312714949 GPVPKBGHZZNUST-LIRRHRJNSA-N 450.783 5.555 50 10 JKGE COc1ccc([C@@H](Br)c2coc(Br)c2)c(OC)c1Br 378908870 IBLATNNGWFGPDT-NSHDSACASA-N 454.940 5.306 50 10 JKGE Clc1ccc(Br)c([C@H]2CN(Cc3ccccc3)C[C@@H]2CI)c1 382725605 PXUXTSSATCTRKQ-YOEHRIQHSA-N 490.610 5.753 50 10 JKGE FC(F)(F)COCCOc1c(Br)cc(Br)cc1CBr 389220956 WKNIEXFMLGYHCP-UHFFFAOYSA-N 470.905 5.064 50 10 JKGE Cc1cc(F)c([C@H](Br)c2cc(Br)ccc2Br)cc1Cl 395567427 KSLGOYWLUGQVLW-CQSZACIVSA-N 471.389 6.797 50 10 JKGE CC(C)(C)[Si](C)(C)OCCc1cccc([C@H]2COCCN(S(=O)(=O)c3ccccc3)C2)c1 616595297 TXJHLFDFVSOONH-HSZRJFAPSA-N 475.727 5.056 50 10 JKGE Cc1ccc2ccccc2c1[C@H](Br)c1scc(Br)c1Br 705449330 YTNDBAKCARLQFC-HNNXBMFYSA-N 475.043 7.219 50 10 JKGE COc1ccc(Cl)cc1[C@H](Br)c1cccc(F)c1I 721691035 JEYIQKDHFNQHON-CYBMUJFWSA-N 455.492 5.577 50 10 JKGE O=C(NN=C(CSc1nc2ccccc2o1)c1ccc2ccccc2c1)c1cccc(Cl)c1 1083924010 XHIQRLITLVAWJS-UHFFFAOYSA-N 471.969 6.561 50 10 JKGE Cc1ccc(OCCn2cc(/C=C(/C#N)C(=O)NCc3cccs3)c3ccccc32)cc1C 1084250994 CFIPMGOXIAZPRL-QNGOZBTKSA-N 455.583 5.622 50 10 JKGE N#C/C(=C/c1ccc(OCc2cccc(Cl)c2)cc1)C(=O)Nc1cc(Cl)ccc1Cl 1084427183 ZRCAJXKQCVQKAK-YVLHZVERSA-N 457.744 6.771 50 10 JKGE COc1cc(C=NNC(=O)c2cccc(C)c2)cc(Br)c1OCc1ccccc1Cl 1084447717 KHTCPRDQGHJURO-UHFFFAOYSA-N 487.781 5.762 50 10 JKGE Cc1cc(C)cc(CSCC(=O)NN=Cc2ccc(OCC(=O)Nc3cccc(Cl)c3)cc2)c1 1084585945 IQAUIOOROQAPOP-UHFFFAOYSA-N 496.032 5.358 50 10 JKGE O=C(NNC1=C[C@@H](c2ccccc2)N(c2ccc(Cl)cc2Cl)C=N1)c1cccc(O)c1 1614987010 AQEQWIFNZOAUFS-NRFANRHFSA-N 453.329 5.065 50 10 JKGE CCN(C(=O)c1oc2c(c1C)C(=NNC(=O)c1ccc(OC)cc1)CCC2)c1cccc(C)c1 1772746358 UYRUBIJPFQHVBJ-UHFFFAOYSA-N 459.546 5.042 50 10 JKGE N#CSc1ccc(NC(=O)Oc2cccc3c(NC(=O)Cc4c(F)cccc4F)cccc23)cc1 1858780715 PERVJMZMOBSGRM-UHFFFAOYSA-N 489.503 6.483 50 10 JKGE COc1ccc(-c2nn(-c3ccc(C)cc3)c3c2[C@H](c2ccc(C(C)(C)C)cc2)C(C#N)=C(N)O3)cc1 1865682272 KVZMMOUZYCOVOH-AREMUKBSSA-N 490.607 6.372 50 10 JKGE Cc1nn(-c2ccc(Br)cc2)c2c1[C@@H](c1ccc(Cl)c(Cl)c1)C(C#N)=C(N)O2 1865685883 OHMUNLOZBTUYOU-SFHVURJKSA-N 476.161 5.468 50 10 JKGE COc1ccc([C@H]2C(C#N)=C(N)Oc3c2c(-c2ccccc2)nn3-c2cccc(Cl)c2)cc1OC 1865707065 MWDMBKURRWTZSP-QHCPKHFHSA-N 484.943 5.428 50 10 JKGE O=C(Oc1ccc([N+](=O)[O-])cc1)c1ccc(-c2ccc(Cl)c(Cl)c2)nc1C(F)(F)F 1865787336 ALJZNBZDYAKBNR-UHFFFAOYSA-N 457.191 6.202 50 10 JKGE CCCC[C@@H](NC(=O)Cc1nc(-c2ccccc2C)oc1C)C(=O)Nc1ccc(SC#N)cc1 1866643094 MAROOJCVMZOVEQ-JOCHJYFZSA-N 476.602 5.388 50 10 JKGE CCn1c(/C(C#N)=C/c2ccc(N3N=C(c4ccccc4)C[C@H]3c3ccccc3)cc2)nc2ccccc21 1872730376 DUXINBGPTDHIJD-GWVNXDCMSA-N 493.614 7.476 50 10 JKGE COc1cc(-c2csc(/C(C#N)=C(\O)Cc3ccc(OC(C)C)cc3)n2)c(OC)cc1Cl 1872755118 ZABIUBZAUWUZFK-UZYVYHOESA-N 470.978 6.303 50 10 JKGE CCOc1ccc(-c2csc(/C(C#N)=C(\O)Cc3ccc(Cl)c(Cl)c3)n2)c(OCC)c1 1872755606 WGMUEIWUPKLSQM-FXBPSFAMSA-N 475.397 6.950 50 10 JKGE Cc1ccc(C(C)(C)C)cc1-c1csc(/C(C#N)=C(\O)c2cc([N+](=O)[O-])c(C)c([N+](=O)[O-])c2)n1 1872756338 XTYOGLBOEFDGJA-PYCFMQQDSA-N 478.530 6.491 50 10 JKGE COc1cc(OC)c(-c2csc(/C(C#N)=C(\O)Cc3ccc(Cl)c(Cl)c3)n2)cc1Cl 1872756750 ZBPLKZCLVIYQDC-AQTBWJFISA-N 481.788 6.823 50 10 JKGE Cc1c([N+](=O)[O-])cc(/C(O)=C(\C#N)c2nc(-c3cc(Cl)ccc3Cl)cs2)cc1[N+](=O)[O-] 1872758980 ZOTNOTQQQNDSSU-AQTBWJFISA-N 477.285 6.192 50 10 JKGE COc1cc(/C=C(\C#N)c2nc(-c3ccccc3OC)cs2)ccc1OCCCc1ccccc1 1872784068 ARZBRDXHNFSFIS-HAVVHWLPSA-N 482.605 6.903 50 10 JKGE Cc1ccc(C)c(-c2csc(/C(C#N)=C/c3cc(Br)cc(Br)c3O)n2)c1 1872790833 HNNXEMOYAZRKRC-MKMNVTDBSA-N 490.220 6.722 50 10 JKGE CCN(Cc1ccccc1)c1ccc(/C=C(\C#N)c2nc(-c3c(C)c(C)cc(C)c3C)cs2)cc1 1872792560 FRNVHDVYVZQYIX-WPWMEQJKSA-N 477.677 8.134 50 10 JKGE Brc1cc(Br)c([C@H](Br)C2CC(Br)C2)s1 1893072267 JKBOPYRPMURWFZ-MPKXYMLHSA-N 467.846 5.883 50 10 JKGE Brc1ccc(CN2CC[C@]3(CCC[C@H]3Br)C2)c(Br)c1 1918933834 JBTWXFWRHRIBJL-HUUCEWRRSA-N 452.028 5.351 50 10 JKGE Fc1cc(F)c([C@H](Cl)c2c(Br)sc(Br)c2Cl)c(F)c1 1923066530 QUBULBQNRFFPQD-QMMMGPOBSA-N 454.920 6.672 50 10 JKGE COc1cccc([C@H](Cl)c2c(Br)sc(Br)c2Br)c1F 1924605318 PHBFSERAKODYHI-VIFPVBQESA-N 493.417 6.512 50 10 JKGE C[C@@H]1C[C@]1(C)[C@H](Br)c1c(Br)sc(Br)c1Br 1924614355 YDMJJXFPSBANJC-XNSGURDHSA-N 481.873 6.518 50 10 JKGE O=C(Nc1ccc(F)c(CBr)c1)c1cc(Br)c(Br)s1 1924856550 ADTALHDBOWIBIL-UHFFFAOYSA-N 471.971 5.559 50 10 JKGE COc1ccc([C@H](Cl)c2c(Cl)sc(Br)c2Cl)cc1Br 1925591215 VTXWVQJFUGWEME-VIFPVBQESA-N 465.421 6.917 50 10 JKGE CN(Cc1ccc(I)c(Cl)c1)C[C@H](Cl)COCc1ccccc1 1995479403 PKUCSAGRKMHVHE-INIZCTEOSA-N 464.174 5.201 50 10 JKGE C[C@]1(C(F)F)C[C@@H]1[C@H](Br)c1c(Br)sc(Br)c1Cl 2008185386 DAWDCWXVRWFMHE-FTIXTOIKSA-N 473.402 6.654 50 10 JKGE CC[C@@H]1CC[C@@H]([C@@H](Cl)c2c(Br)sc(Br)c2Br)O1 2023216109 UHPLTUCONRJUNR-QIOHGKGESA-N 467.448 6.273 50 10 JKGE Fc1ccc([C@H](Br)c2ccc(Br)cc2I)cc1 2026220773 HNUXXTYPWDERMS-ZDUSSCGKSA-N 469.917 5.677 50 10 JKGE Cc1cc(C(=O)C(C#N)=C(S)Nc2ccccc2)c(C)n1-c1ccc(Br)cc1 2053615092 XXHPOBUBUOKARB-UHFFFAOYSA-N 452.377 5.816 50 10 JKGE Cc1ccc(-c2ccc(C=C(C#N)C(=O)Nc3ccccc3I)o2)c([N+](=O)[O-])c1 2053623108 FQIFZKIXFXVHET-UHFFFAOYSA-N 499.264 5.314 50 10 JKGE CCO[C@@H]1CC[C@@H]([C@@H](Br)c2sc(Br)c(C)c2Br)C1 2054495391 GZRACVKKXNIZPD-FXPVBKGRSA-N 461.057 6.223 50 10 JKGE CC1(C)OB(C2=CN([C@H]3CC[C@H](O[Si](C)(C)C(C)(C)C)CC3)[C@H](Cl)NC2=N)OC1(C)C 2059083062 JUAZIDCEPADOQH-GPMSIDNRSA-N 469.939 5.240 50 10 JKGE Cc1c(Br)ccc([C@@H](Br)[C@@H](C)CC(F)(F)F)c1Br 2083318259 NUUCXFKBBFMCKQ-WKEGUHRASA-N 452.934 6.545 50 10 JKGE Clc1ccc(I)c(CN2[C@H]3CCC[C@H](Br)[C@H]2CC3)c1 2097817383 YGDXRTJGSDTLGD-KCQAQPDRSA-N 454.577 5.225 50 10 JKGE Oc1nc2cc([C@@H](Br)c3cscc3OCc3ccccc3)c(Br)cc2[nH]1 2100092717 PHXQYVUJWQTWPF-GOSISDBHSA-N 494.208 6.156 50 10 JKGE Cc1c(Br)sc([C@H](Br)c2ccsc2C(F)(F)F)c1Br 2101414508 VHQUHNOSMTXYAS-SSDOTTSWSA-N 499.009 7.146 50 10 JKGE Cc1cc(Br)c([C@@H](Br)C(F)(F)C2CCCC2)cc1Br 2128839185 XFVICZLBNSIUDF-CYBMUJFWSA-N 460.982 6.782 50 10 JKGE Cc1c(Br)sc([C@H](Br)[C@@H]2C[C@H]2C2CCOCC2)c1Br 2135276154 GUIGMJICNUGAQB-HOSYDEDBSA-N 473.068 6.080 50 10 JKGE Brc1ccc([C@H](Br)[C@H]2C[C@@H]2C2CCCCC2)c(Br)c1 2138850868 IMPLIRMQGDDPJL-YCPHGPKFSA-N 451.040 6.864 50 10 JKGE Cc1c(Br)ccc([C@@H](Br)[C@@H]2CC[C@H]3C[C@H]2CO3)c1Br 2138861499 GYBIHXCRVVGWAC-ZVXAKGHKSA-N 453.012 5.771 50 10 JKGE Cc1c(Br)ccc([C@@H](Br)C(C)(C)[C@@H]2CCCO2)c1Br 2138865077 QANKZFPSIOGWQR-GXTWGEPZSA-N 455.028 6.161 50 10 JKGE Fc1cccc(C[C@@H](Cl)c2ccc(Br)cc2I)c1F 2142279705 TYFCUQMNXXMWDV-LLVKDONJSA-N 457.483 5.855 50 10 JKGE BrCc1ccc(Br)cc1N1CCCc2c(Br)cccc21 2145030502 WHBTYLMRVOGHDT-UHFFFAOYSA-N 460.007 6.191 50 10 JKGE CC1(C)CCN(C(=O)c2cccc(Br)c2Br)C[C@H]1CBr 2148755183 XOSXUCSYJNILEC-SNVBAGLBSA-N 468.027 5.095 50 10 JKGE CC1(C)CCC[C@@]1(CBr)NC(=O)c1cc(Br)cc(Br)c1 2150545676 ORJMLPNWZFITRG-HNNXBMFYSA-N 468.027 5.285 50 10 JKGE Cc1cc([C@@H](Br)c2cc(Br)cc3c2O[C@H](C)C3)c(Br)s1 2157244630 CAUPCPSJQVNPSH-UHLUBPPHSA-N 481.047 6.389 50 10 JKGE FC1(F)[C@@H]2CC[C@H](Oc3c(Br)cc(CBr)cc3Br)C[C@H]21 2166006763 VWJLBNUZUGJPRK-IVZWLZJFSA-N 474.965 5.919 50 10 JKGE Cc1c(Cl)cc(COc2cccc(CBr)c2Br)cc1Br 2167384866 QQCBUDZCFSBZTH-UHFFFAOYSA-N 483.425 6.647 50 10 JKGE CO[C@](C)(COCc1ccccc1)Cn1c(CCl)nc2cc(Cl)c(Br)cc21 2169009899 SYLIJOHQYBHOFV-FQEVSTJZSA-N 472.210 5.813 50 10 JKGE CN(C(=O)c1cc(Br)ccc1Br)C1(CBr)CCCCC1 2170167192 UIHYNFTYKNLTJW-UHFFFAOYSA-N 468.027 5.381 50 10 JKGE CC(C)(C)OC(=O)NCC(F)(F)[C@@H]1CCCCN1CC1(CBr)CCCCC1 2185161546 IPUXYXPXOWXVMQ-INIZCTEOSA-N 453.412 5.346 50 10 JKGE Cc1cc2sc([C@H](Br)c3cc(Br)c(Cl)cc3C)cc2s1 2202370005 FMKKCMDUKBDWPR-OAHLLOKOSA-N 450.648 7.480 50 10 JKGE FC(F)(F)C1([C@H](Br)c2ccc(Br)cc2Br)CCCCC1 2203686119 SKQVCAGLWITFNR-GFCCVEGCSA-N 478.972 7.160 50 10 JKGE Fc1ccc([C@H](CI)OCc2cc(F)ccc2Br)cc1 2206270831 PNIWISXTOMXOSU-HNNXBMFYSA-N 453.064 5.420 50 10 JKGE Cc1ccc([C@H](Cl)[C@H](C)c2ccncc2Br)cc1I 2224618304 HPTNEBLSLYSBAS-MEBBXXQBSA-N 450.545 5.841 50 10 JKGE Fc1cc(Br)c(Br)cc1[C@H](Br)c1cccc(F)c1F 2225617782 RIYYSUZZQPIDIT-GFCCVEGCSA-N 458.897 6.113 50 10 JKGE Clc1cc(Br)c([C@H](Br)[C@@H]2CCCCC23CC3)c(Cl)c1Cl 2232510814 IBNHATIQHXRFRA-QPUJVOFHSA-N 461.452 7.816 50 10 JKGE Cc1cc(Br)c([C@H](Cl)c2cccc(Cl)c2Cl)c(C)c1Br 2235601801 BCQXPZIMMHGFIB-OAHLLOKOSA-N 457.420 7.463 50 10 JKGE CCc1occ(C)c1[C@@H](Br)c1c(Br)cc(C)c(Br)c1C 2235620563 XQHUEXARHAXKON-MRXNPFEDSA-N 465.023 6.777 50 10 JKGE CC(C)(C)OC(=O)N1CCC[C@](CI)(OCc2ccccc2C(F)(F)F)C1 2236066270 XTJLJWFQLBARSU-GOSISDBHSA-N 499.311 5.427 50 10 JKGE Fc1cccc([C@@H](Br)c2ccc3c(c2Br)CCO3)c1Br 2238077865 XTSHPXFSKHDFFB-CQSZACIVSA-N 464.954 5.770 50 10 JKGE Cc1c(Br)sc([C@@H](Br)C2(C)CC3(CC(F)(F)C3)C2)c1Br 2239249713 YNMOQLBUCLRVON-SNVBAGLBSA-N 493.049 7.233 50 10 JKGE O=C(c1cc(Br)sc1Br)N1[C@H](CBr)C[C@@H]2CCCC[C@@H]21 2240732145 BLAYLBCQKGKVIR-QXEWZRGKSA-N 486.067 5.441 50 10 JKGE Cc1cc(Br)c([C@H](Br)c2cc(Br)co2)cc1Br 2249393145 LFAIFACZNVVXHC-LBPRGKRZSA-N 487.811 6.360 50 10 JKGE COc1ccc([C@H](Br)c2cocc2Br)cc1I 2249421520 IKOHMSGZMNBYPQ-LBPRGKRZSA-N 471.914 5.140 50 10 JKGE CCc1cc([C@H](Br)Cc2cccc(Br)c2)sc1Br 2256062220 ZZHIKSSRHIDCDE-GFCCVEGCSA-N 453.037 6.514 50 10 JKGE C[C@H](C[C@@H](Br)c1c(F)cc(Br)c(F)c1Br)C(C)(C)C 2272737887 GDWQIYOKONIKFJ-HTQZYQBOSA-N 462.998 6.998 50 10 JKGE FC1(F)CC2(C[C@@H]2[C@H](Br)Cc2cc(Br)cc(Br)c2)C1 2277955972 ODEHLKDVPQUASG-VXGBXAGGSA-N 458.966 5.953 50 10 JKGE Clc1cccc([C@@H](Br)c2cc3sc(Br)cc3s2)c1Cl 2278016743 CCUJKBSUBAMGCE-GFCCVEGCSA-N 457.039 7.516 50 10 JKGE COc1cc(OC)c([C@H](Br)c2cocc2Br)cc1Br 2278018681 ZZFFACDUMSBVAG-ZDUSSCGKSA-N 454.940 5.306 50 10 JKGE Cc1cc(Br)c([C@H](Br)c2ccc(F)c(Br)c2)c(C)c1F 2279158581 UEFGNUWMUYACRZ-CQSZACIVSA-N 468.961 6.591 50 10 JKGE C[C@H]1COc2ccc([C@@H](Br)c3ccc(Cl)c(I)c3)cc21 2283575983 AOQAAELGOVAXBE-XXFAHNHDSA-N 463.540 5.925 50 10 JKGE COc1ccc([C@@H](Br)C23CC(C)(C2)OC3(C)C)cc1I 2285006817 YAZCPDZUETYANF-IUDNXUCKSA-N 451.142 5.084 50 10 JKGE O=C(NC1CCC(Nc2ccc(S(F)(F)(F)(F)F)cc2)CC1)OCc1ccccc1 2287035799 USPABYUMLDVVDD-UHFFFAOYSA-N 450.473 6.994 50 10 JKGE C[C@@H]1OC2(C)CC1([C@H](Br)c1c(F)cc(Br)c(F)c1Br)C2 2288344828 OEEWHDOPBKLWOS-JMFIZIKISA-N 474.965 5.883 50 10 JKGE COc1ccc(NC(=O)C(C#N)=Cc2ccc(OCc3ccccc3C#N)c(Br)c2)cc1 2295163752 DGBCCVSQXJSESV-UHFFFAOYSA-N 488.341 5.454 50 10 JKGE COc1c(Br)cc([C@@H](Br)c2coc(Br)c2)c(OC)c1C 2295429008 WBRSVVYTQHPJKN-LBPRGKRZSA-N 468.967 5.615 50 10 JKGE CCc1cscc1[C@@H](Br)c1ccc(OCc2ccccc2)cc1Br 2299525894 SBOWVGZSIKMYAC-FQEVSTJZSA-N 466.238 7.136 50 10 JKGE C[C@@]12CC[C@@]([C@@H](Br)c3cc(Br)ccc3OCc3ccccc3)(CO1)C2 2314440547 QKVIWHOLHJVHTD-ACRUOGEOSA-N 466.213 6.423 50 10 JKGE Brc1cc(OCc2ccccc2)ccc1[C@@H](Br)C[C@H]1CCC[C@@H]2C[C@H]12 2314499373 BWMYOZPAFCNXST-JYWFKMLOSA-N 464.241 7.290 50 10 JKGE COC1(C[C@@H](Br)c2cc(Br)ccc2OCc2ccccc2)CCCC1 2314502507 JNNFRZZTAMPLKE-LJQANCHMSA-N 468.229 6.813 50 10 JKGE CCCCN1C(=O)C(=Cc2ccc(OCc3ccccc3F)c(OCC)c2)C(C)=C(C#N)C1=O 2314610841 MXSSGRCLGGKDDL-UHFFFAOYSA-N 462.521 5.196 50 10 JKGE Clc1cc(I)c([C@@H](Cl)Cc2c(Cl)cccc2Cl)s1 2316598038 ZBXYCYAIQILAJH-VIFPVBQESA-N 451.971 6.836 50 10 JKGE CCOc1cc(C=NNC(=O)c2ccc3[nH]c4c(c3c2)C[C@@H](C)CC4)cc(Cl)c1OCC 2323168581 KIVNLHANQLWLSC-HNNXBMFYSA-N 453.970 5.507 50 10 JKGE CC(C)OC(=O)c1ccc(C(C#N)=Cc2ccccc2OCc2ccc(Cl)cc2Cl)o1 2331049779 UJLMMHUATXQKIE-UHFFFAOYSA-N 456.325 6.795 50 10 JKGE COc1cccc(-c2csc(C(C#N)=C(O)c3ccc4c(c3)C(=O)N(C3CCCCC3)C4=O)n2)c1 2331246512 VYPHEHYNXCLJCY-UHFFFAOYSA-N 485.565 5.697 50 10 JKGE N#CC(=C(O)CCCOc1ccc(Br)cc1Cl)c1nc(-c2cccs2)cs1 2331326730 NCTQOCWCSIVNGI-UHFFFAOYSA-N 481.824 6.939 50 10 JKGE COc1c(Cl)cc(Cl)cc1-c1csc(C(C#N)=C(O)COc2ccc(Cl)cc2)n1 2331364129 LMWPRMGSQWSPOL-UHFFFAOYSA-N 467.761 6.651 50 10 JKGE COc1ccc(OC)c(CC(O)=C(C#N)c2nc(-c3cc(Cl)c(OC)c(Cl)c3)cs2)c1 2331396769 BDQGIGVCIBXKKC-UHFFFAOYSA-N 477.369 6.178 50 10 JKGE N#CC(=Cc1ccc(OCc2ccc(Cl)cc2)cc1)c1nc(-c2ccc([N+](=O)[O-])cc2)cs1 2331434362 RJNNDXCHZLYLPX-UHFFFAOYSA-N 473.941 7.015 50 10 JKGE Cc1cc(Br)c(C)c([C@@H](Br)[C@@H]2C[C@@H]2C(F)(F)F)c1Br 2332925953 VAXMWSRQAWEOOR-LWINAJNOSA-N 464.945 6.463 50 10 JKGE Fc1c(Cl)cccc1C[C@@H](Br)c1ccc(OCc2ccccc2)cc1Br 2336047756 OKEUNZZJFDEAAI-GOSISDBHSA-N 498.617 7.499 50 10 JKGE Fc1c(Br)cc(Cl)c([C@H](Br)C[C@H]2C[C@@H]2C2CC2)c1Br 2337082117 HSLYPEKORXBIQE-IWSPIJDZSA-N 475.421 6.876 50 10 JKGE Fc1c(Br)cc(Cl)c([C@H](Cl)C(F)(F)C(F)(F)F)c1Br 2337097305 LFKCDPLAXGEGLX-ZETCQYMHSA-N 454.817 6.482 50 10 JKGE Clc1ccc(CN2C[C@@H](Br)CCC23CCC3)cc1I 2337230663 VVDIJKYHSLHMSF-LBPRGKRZSA-N 454.577 5.227 50 10 JKGE COc1c(Br)cc(C)c([C@@H](Br)[C@@H]2CC[C@H](C)O2)c1Br 2339659565 UIJOYLWDBWFHGJ-PEXQALLHSA-N 457.000 5.532 50 10 JKGE Cc1cc(Br)c(F)c(Br)c1[C@H](Br)[C@H]1C[C@]12CCOC2 2339681806 MANFCBOLWRUDCL-UGQGEIBHSA-N 456.975 5.522 50 10 JKGE Clc1ccc(COc2cccc(CBr)c2Cl)c(I)c1 2341053764 ZPBKBPGEFUTYKF-UHFFFAOYSA-N 471.947 6.072 50 10 JKGE ClC[C@@H](Cc1ccc(I)c(Br)c1)c1ccccc1Cl 2349851903 KWBBOFQHNFKGTO-LLVKDONJSA-N 469.975 6.272 50 10 JKGE CCN(C[C@](C)(CI)O[C@@H]1CCOc2ccc(F)cc21)C(=O)OC(C)(C)C 2364533314 NXYQBLWIAOYXNL-XLIONFOSSA-N 493.357 5.117 50 10 JKGE Cc1cc([C@H](Cl)c2c(C)cc(Br)c(F)c2Br)ccc1Br 2365188581 MQRXMUQOLUNYEN-AWEZNQCLSA-N 485.416 7.058 50 10 JKGE ClCC(CCl)(Cc1ccc(I)c(Br)c1)c1ccccc1 2377262814 CKGBFUWIQNVRLM-UHFFFAOYSA-N 484.002 6.012 50 10 JKGE CC(C)(C)OC(=O)NC[C@@H]1CN(C[C@@](C)(CBr)C(C)(C)C)C[C@H]1C(F)(F)F 2380195029 CYLJDUULQNCEFU-HBUWYVDXSA-N 459.391 5.069 50 10 JKGE N#C/C(=C/c1ccccc1)C(=O)Oc1ccc2c(=O)c(-c3ccccc3)c(C(F)(F)F)oc2c1 1777145 NGQQJHCMYYVCJC-AQTBWJFISA-N 461.395 5.991 50 10 JKGE O=C(NC1CCCCC1)[C@H](c1ccc(Cl)cc1)N(CCc1ccccc1Cl)C(=O)CCl 3035234 HZOXLBRRAKYUDI-QHCPKHFHSA-N 481.851 5.794 50 10 JKGE CCCCCCOc1ccc(C(=O)NNC(=O)[C@@H](C)Oc2ccc(C)c(C)c2)cc1Br 10153083 VHTNIZLNEODULX-GOSISDBHSA-N 491.426 5.254 50 10 JKGE Cc1ccc(OCC(=O)NN=C(/C=C/c2ccccc2)/C=C/c2ccccc2)c(Br)c1 12581885 OGMGOXGRABOEOH-WXUKJITCSA-N 475.386 6.035 50 10 JKGE COC(=O)c1cc(Br)ccc1-c1ccc(/C=C(/C#N)c2nc3ccccc3s2)o1 33467199 NHLVOKPNFHQFNY-RAXLEYEMSA-N 465.328 6.170 50 10 JKGE C/C(=N/NC(=O)c1cc(-c2cccc(OCc3ccccc3)c2)n[nH]1)c1ccc(-c2ccccc2)cc1 33692276 UBBKTKHSSDFRFU-JDCMOKTRSA-N 486.575 6.477 50 10 JKGE COc1ccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)COc4ccc(Cl)cc4Cl)ccc32)cc1 38650300 PTPKYVZASHNZQY-DEOSSOPVSA-N 497.334 5.205 50 10 JKGE CCCCOc1ccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)COc4ccccc4C)ccc32)cc1 38650779 HVLVKRFVQJEROD-MUUNZHRXSA-N 484.552 5.377 50 10 JKGE N#CC1=C(N)Oc2cc(OC(=O)c3ccccc3Br)ccc2[C@@H]1c1ccccc1Cl 38650970 MMYXVUXEQBCKBI-NRFANRHFSA-N 481.733 5.540 50 10 JKGE Cc1cccc(C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@@H]3c2cccc(Oc3ccccc3)c2)c1 38660745 FTXFOHYMECPSJX-MUUNZHRXSA-N 474.516 6.225 50 10 JKGE Cc1ccc([C@@H]2C(C#N)=C3Sc4ccccc4N3C(N)=C2c2nc3ccccc3s2)cc1 39310739 NWAKCKYFEZYITH-JOCHJYFZSA-N 450.592 6.377 50 10 JKGE COc1ccc(C(=O)N/N=C2\CCCc3oc(C(=O)Nc4ccccc4Br)c(C)c32)cc1 40813866 WSMIXPKQIIKUOB-ZXVVBBHZSA-N 496.361 5.082 50 10 JKGE N#C/C(=C\c1cccc(OCc2ccc(Cl)cc2Cl)c1)C(=O)Nc1cccc(C(F)(F)F)c1 59282021 UDCWBLKCCDSBHD-RQZCQDPDSA-N 491.296 7.137 50 10 JKGE CCc1ccccc1NC(=O)/C(C#N)=C/c1cn(Cc2cccc(C(=O)OC)c2)c2ccccc12 59292079 XRKBKXAREKULSK-XQNSMLJCSA-N 463.537 5.584 50 10 JKGE CSc1cccc(N/C(SCc2cccc(C)c2)=C(\C#N)S(=O)(=O)c2ccccc2)c1 96482165 PWXMQZXKNBPEAO-VHXPQNKSSA-N 466.653 6.229 50 10 JKGE O=C(CCl)N(CCc1ccc(Cl)cc1)C1(C(=O)NC2CCCCCC2)CCCCC1 97915032 DRRLFXHYWNUJER-UHFFFAOYSA-N 453.454 5.492 50 10 JKGE CCCCCOc1ccc(CN2C(=O)/C(=N/NC(=O)COc3ccc(C)cc3)c3ccccc32)cc1 103041322 JUDUZELSEPSUJG-CCFHIKDMSA-N 485.584 5.010 50 10 JKGE COc1ccc([C@H](Br)c2cc(Br)ccc2Br)c(Cl)c1 161094559 AXNWCKWOBCMOBS-AWEZNQCLSA-N 469.398 6.358 50 10 JKGE Fc1ccc2cc([C@@H](Br)c3cc(Br)ccc3Br)sc2c1 161235704 GVYVCBUGMCBYGU-HNNXBMFYSA-N 479.006 7.050 50 10 JKGE CCOc1ccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)/C=C\c4ccc(C(C)(C)C)cc4)ccc32)cc1 205661086 UFZOYOIRUZOYCB-XNNDIANVSA-N 494.591 6.220 50 10 JKGE CC(C)(C)CC(C)(C)c1ccc(OCC(=O)N/N=C2/C(=O)N(Cc3ccccc3)c3ccccc32)cc1 206202808 XJKGDBAEXILPHN-PJJLUWSFSA-N 497.639 5.847 50 10 JKGE COc1ccc([C@@H](Br)c2ccc(Br)cc2Cl)c(OC)c1Cl 224654668 SYERRXIXOQPSGH-ZDUSSCGKSA-N 454.973 6.257 50 10 JKGE Clc1ccc(C[C@H](Br)c2ccc(I)c(Cl)c2)cc1Cl 232386399 APQLZUVBQXOKAI-JTQLQIEISA-N 490.393 6.930 50 10 JKGE O=C(NCC1(CBr)CCCCC1)c1ccc(Br)cc1Br 232471907 IUQOMCBLUMMROL-UHFFFAOYSA-N 468.027 5.287 50 10 JKGE Cc1cc([C@H](Br)c2cc(Br)ccc2I)ccc1F 235857462 FQLRYWDIXILHLF-AWEZNQCLSA-N 483.944 5.986 50 10 JKGE Cc1ccc([C@@H](Br)c2cc(Br)ccc2Br)c(Cl)c1 235921014 OTWSCRXVHFLBMK-CQSZACIVSA-N 453.399 6.658 50 10 JKGE COc1ccc(C)cc1N(C(=O)CCl)[C@H](C(=O)N[C@H]1CCCC[C@H]1C)c1ccc(Cl)cc1 252587259 WUOCNUYIAKWAOU-YQOVMPOYSA-N 477.432 5.665 50 10 JKGE COc1ccc(CC(=O)NN=Cc2cc(N=Nc3cccc4ccccc34)ccc2O)cc1OC 254736698 QXTSVCVCVVSTAI-UHFFFAOYSA-N 468.513 5.671 50 10 JKGE CC(=NNC(=O)CSc1nnc(SCc2ccc(C)cc2)s1)c1cccc2ccccc12 254854486 PONSAYOVEVSACD-UHFFFAOYSA-N 478.668 5.925 50 10 JKGE CCc1nn(C)c2c1nc([C@H](C)Cl)n2CCCN(Cc1ccccc1)Cc1ccccc1 390551217 XYILDXQBCPVYTA-FQEVSTJZSA-N 450.030 5.725 50 10 JKGE COc1c(Br)cc(Cl)cc1[C@H](Br)c1nscc1Br 404827262 VZTUEEHMJGEROQ-VIFPVBQESA-N 476.415 5.814 50 10 JKGE CC(C)(C)[C@@H]1CC[C@H](Br)[C@H](Cc2cc(Cl)ccc2I)C1 405355100 XJBNJMOVOAHWSZ-KYOSRNDESA-N 469.632 6.713 50 10 JKGE CC(C)(C)OC(=O)NCCN1CCc2ccccc2[C@@H]1c1cccc(CO[Si](C)(C)C(C)(C)C)c1 616691057 DQQYHNOVYSFGNY-SANMLTNESA-N 496.768 6.681 50 10 JKGE C[C@]12CN(Cc3ccccc3)C[C@H]1CN(c1cc(Br)ccc1CBr)C2 702089680 RDXFXSQSEYYUEM-GHTZIAJQSA-N 464.245 5.302 50 10 JKGE Brc1csc([C@H](Br)c2ccc3c(c2)CCC3)c1Br 705425348 KKRKVMCODQYUCB-GFCCVEGCSA-N 451.021 6.246 50 10 JKGE Cc1ccc2c(c1)nc(CCCl)n2CC1(N(Cc2ccccc2)Cc2ccccc2)COC1 705868962 GYVCQLPMSOQYRF-UHFFFAOYSA-N 460.021 5.597 50 10 JKGE Brc1cc([C@@H](Br)c2ccoc2Br)cc2c1OCCC2 709714655 XEXIZRPSHXPIRW-GFCCVEGCSA-N 450.952 5.614 50 10 JKGE Clc1cccc(C[C@@H](CBr)Cc2ccccc2Br)c1Br 719424375 ZUZMUPIPBMIXOC-NSHDSACASA-N 481.453 6.661 50 10 JKGE C[C@@H](Oc1ccc(OCc2ccccc2)cc1)C(=O)NN=Cc1ccc(-c2ccc([N+](=O)[O-])cc2)o1 1084048555 MQQAPGAFUNOJOO-LJQANCHMSA-N 485.496 5.351 50 10 JKGE Cc1ccc(-n2c(C)c(Br)c(C=NNC(=O)CSc3ccccc3)c2C)c(C)c1 1084145535 DSFOGWDLMMUDOZ-UHFFFAOYSA-N 470.436 5.716 50 10 JKGE O=C(NN=Cc1ccccc1OCc1ccc2ccccc2c1)c1cc2cc(Br)ccc2o1 1084180501 LQXBFRZZDZLNHG-UHFFFAOYSA-N 499.364 6.691 50 10 JKGE COc1cccc([C@@H]2Nc3ccc(C(C)=NNC(=O)c4cccnc4)cc3[C@@H]3C=CC[C@@H]32)c1OC 1084216876 KJQJADHHCWWEIR-YZIHRLCOSA-N 468.557 5.079 50 10 JKGE CCCN(CCC)c1ccc(C(=O)NN=C2C(=O)N(Cc3ccccc3Cl)c3ccccc32)cc1 1084252511 BTVHVIJVIICLAF-UHFFFAOYSA-N 489.019 5.647 50 10 JKGE CCc1ccc(OCCCC(=O)NN=Cc2ccc(Cl)c(Cl)c2)c(Br)c1 1772756149 ZTUIIVJOOPJKAB-UHFFFAOYSA-N 458.183 5.628 50 10 JKGE CCCc1nn(Cc2cccc(Cl)c2)c2c1[C@H](c1c(F)cccc1Cl)C(C#N)=C(N)O2 1865682268 KRXUIEGSMXMMOW-IBGZPJMESA-N 457.336 5.548 50 10 JKGE CCCc1nn(-c2ccc(Cl)c(Cl)c2)c2c1[C@H](c1c(Cl)cccc1Cl)C(C#N)=C(N)O2 1865684904 AOVAZCMIHJCWHY-SFHVURJKSA-N 494.209 6.657 50 10 JKGE CCCc1nn(-c2ccccc2Cl)c2c1[C@H](c1cc(Br)ccc1O)C(C#N)=C(N)O2 1865696829 RDLABBLWLYXNEY-LJQANCHMSA-N 485.769 5.164 50 10 JKGE COc1cc([C@@H]2C(C#N)=C(N)Oc3c2c(-c2ccccc2)nn3C)ccc1OCc1ccc(Cl)cc1 1865701191 OQNOTMODMJDHHX-XMMPIXPASA-N 498.970 5.546 50 10 JKGE CCN(Cc1ccccc1)c1ccc([C@@H]2C(C#N)=C(N)Oc3c2c(C)nn3Cc2ccccc2F)cc1 1865707470 XMINDIWSVTYIKQ-MUUNZHRXSA-N 493.586 5.624 50 10 JKGE CCc1ccc([C@@H]2C(C#N)=C(N)Oc3c2c(-c2ccc(OC)cc2)nn3-c2cccc3ccccc23)cc1 1865708658 BZGOZWIPBNNYQS-MUUNZHRXSA-N 498.586 6.482 50 10 JKGE COc1ccc(-c2nn(-c3ccc(C)cc3)c3c2[C@H](c2cccc(OC)c2)C(C#N)=C(N)O3)cc1 1865712223 SMMUUDAHEVTPQA-XMMPIXPASA-N 464.525 5.083 50 10 JKGE CCCOc1ccc(-c2csc(NC(=O)/C(C#N)=C/c3ccc(C)cc3)c2C(=O)OCC)cc1 1866127091 HZNLCLCKZFCTQP-RCCKNPSSSA-N 474.582 6.235 50 10 JKGE CSCC[C@H](NC(=O)C[C@@H](C)c1ccc(Cl)cc1)C(=O)Nc1ccc(SC#N)cc1 1866717333 WTJIAQOEYIPQQM-QRWLVFNGSA-N 462.040 5.283 50 10 JKGE CSCC[C@H](NC(=O)[C@H](c1ccc(F)cc1)C(C)C)C(=O)Nc1ccc(SC#N)cc1 1866968814 MHNOSTWFERVQFQ-SFTDATJTSA-N 459.612 5.015 50 10 JKGE N#CSc1ccc(Nc2cc(N3CCc4cc5ccccc5nc43)nc(-c3ccccc3)n2)cc1 1868365701 UFUNQGZLLRQJCS-UHFFFAOYSA-N 472.577 6.703 50 10 JKGE N#CSc1ccc(Nc2cc(N3CCNC(=O)[C@@H]3c3ccc(F)cc3)nc(-c3ccccc3)n2)cc1 1868365901 YDOWTRBDXSBXJM-VWLOTQADSA-N 496.571 5.277 50 10 JKGE CCCCCCCCCOc1ccc(/C=C(\C#N)c2nc(O)c3ccccc3n2)cc1OCC 1872726913 UEDFNVJVDADVLU-RELWKKBWSA-N 459.590 6.928 50 10 JKGE COc1cc(/C=C(\C#N)c2ccc(C(=O)OC(C)C)o2)ccc1OCc1cccc(Cl)c1 1872728695 OMUXJVLMKPXVAM-YBFXNURJSA-N 451.906 6.150 50 10 JKGE COc1c(Cl)cc(Cl)cc1-c1csc(/C(C#N)=C(\O)c2ccc([N+](=O)[O-])c(C)c2)n1 1872754581 ZOXFVPKIEBHMKW-JXAWBTAJSA-N 462.314 6.292 50 10 JKGE N#C/C(=C\c1ccc(OC(=O)c2ccccc2)cc1)c1nc(-c2ccc(-c3ccccc3)cc2)cs1 1872782725 RGPJHUDIJRWWLS-ZXVVBBHZSA-N 484.580 7.760 50 10 JKGE Cc1cc(C)c(C)c(-c2csc(/C(C#N)=C/c3ccc(OC(=O)c4ccccc4)cc3)n2)c1C 1872792627 ISKJSOIFAFBRCO-BUVRLJJBSA-N 464.590 7.327 50 10 JKGE COc1c(C)cc(C)cc1-c1csc(/C(C#N)=C/c2cccc(OCc3ccccc3)c2)n1 1872792953 ZNYRWWQDNJTLFW-OEAKJJBVSA-N 452.579 7.079 50 10 JKGE CCCCOc1ccc(/C=C(\C#N)c2nc(-c3ccc(OC)c(Cl)c3)cs2)cc1OCC 1872794430 AZACEOSRJKXKHW-XDHOZWIPSA-N 469.006 7.114 50 10 JKGE CC(C)C[C@H](NC(=O)OC(C)(C)C)C(=O)N/N=C/c1ccc(OCc2c(F)cccc2Cl)cc1 1873795336 YSFUXCXXRJWLFO-BXPUGBIQSA-N 491.991 5.448 50 10 JKGE Brc1cccc([C@@H](CI)OCCOCc2ccccc2)c1 1884492940 CHBDBPNAYDADAK-QGZVFWFLSA-N 461.137 5.159 50 10 JKGE CCCN[C@H](c1c(Br)sc(Br)c1Cl)[C@@H]1C[C@@H]1Br 1910126794 XXRQNXNBUNKPMB-JHEQGTHGSA-N 466.464 5.751 50 10 JKGE BrC[C@H]1CC2(CCCC2)CN1Cc1cccc(Br)c1Br 1912780948 XZJDCOWQLYDXSA-CYBMUJFWSA-N 466.055 5.741 50 10 JKGE CC(C)[C@H](CBr)N(Cc1ccccc1)C(=O)c1csc(I)c1 1915268430 LVKAUYWNESTWOE-HNNXBMFYSA-N 492.220 5.415 50 10 JKGE Cc1c(Br)sc([C@H](Br)c2ccc(C(F)(F)F)cc2)c1Br 1922882534 HKIYYPRJSFBTGS-SNVBAGLBSA-N 492.980 7.085 50 10 JKGE Cc1c(Br)sc([C@H](Br)c2ccc(Cl)cc2Cl)c1Br 1922897410 NIFOGGVGGCGPLQ-SNVBAGLBSA-N 493.873 7.373 50 10 JKGE Cc1c(Br)sc([C@H](Br)[C@@]2(C)CC[C@@H](C)C2(C)C)c1Br 1922907879 ZCSPCUSPFKUWMX-IPZIOGDXSA-N 473.112 7.480 50 10 JKGE Clc1cc(Br)ccc1[C@@H](Cl)c1sc(Br)cc1Br 1922941623 OWCRSXMEOBYIST-SNVBAGLBSA-N 479.846 7.017 50 10 JKGE Cc1ccc(Br)cc1[C@@H](Cl)c1c(Br)sc(Br)c1Cl 1923039740 QOJCJGMKJHYGDB-SECBINFHSA-N 493.873 7.326 50 10 JKGE C[C@@H]1COC[C@H]1[C@H](Cl)c1c(Br)sc(Br)c1Br 1924612248 KRQBUKLLZIKVGU-LRMHIPNDSA-N 453.421 5.598 50 10 JKGE O=C(N[C@H](CBr)CC1CCCC1)c1cc(Cl)ccc1I 1926733738 AAOQZSPXOPVFGB-LBPRGKRZSA-N 470.576 5.018 50 10 JKGE O=C(N[C@H](CCCCCC[C@H]1CCSS1)C(=O)O)OCC1c2ccccc2-c2ccccc21 1951392518 GRUIXWSUZQOQBS-MHECFPHRSA-N 485.671 6.473 50 10 JKGE CCc1nc([C@@H](Br)c2cc(C)c(Br)s2)c(Br)s1 2003570687 USMBIKJQXHATQK-QMMMGPOBSA-N 460.054 6.085 50 10 JKGE Cc1c(Br)sc([C@H](Br)[C@@]23CC[C@@H](C2)[C@@H](C)O3)c1Br 2078504553 DQCLBKHXYXUUIV-AOOGTALZSA-N 459.041 5.975 50 10 JKGE Cc1nc([C@H](Cl)c2ccc(Br)c(C)c2Br)c(Br)s1 2083319524 ZROMOIDSZXDXGJ-SNVBAGLBSA-N 474.443 6.376 50 10 JKGE C[C@]1([C@@H](Br)c2ccc(Br)cc2Br)C[C@@H]1C(F)(F)F 2083330803 SMPJPAHVNLGIMH-DCAQKATOSA-N 450.918 6.236 50 10 JKGE Cc1c(Cl)cc([C@@H](Cl)c2cc(Br)ccc2Br)cc1Br 2111096247 CZNWEXNBGUDRLW-CQSZACIVSA-N 487.844 7.264 50 10 JKGE Fc1ccc([C@@H](Br)CCc2ccc(Br)cc2Br)cc1 2113381451 JSCLIFJERDEQQJ-AWEZNQCLSA-N 450.971 6.420 50 10 JKGE CC(C)n1ncc(Br)c1C[C@@H](Br)c1cccc(Br)c1 2113489623 RGKNYHDWRCHWMY-GFCCVEGCSA-N 451.000 5.668 50 10 JKGE CN(C(=O)c1cc(Br)c(Br)s1)[C@H]1CCCCC[C@H]1Br 2115916316 XPEGTRIEBWFCJT-SCZZXKLOSA-N 474.056 5.441 50 10 JKGE O=C(c1scc(Br)c1Br)N1C[C@@H](Br)C2(CCCC2)C1 2117745320 ZXCHZGPANYXAHS-SECBINFHSA-N 472.040 5.053 50 10 JKGE CCC[C@H](Br)c1cn(Cc2c(Br)cccc2Br)nn1 2121069280 YVZHYLJENSWUMP-LBPRGKRZSA-N 451.988 5.088 50 10 JKGE Brc1cccc(Br)c1C[C@H]1C[C@@H](Br)CC2(CCC2)C1 2127176010 DEYDUJCHPSVSKF-VXGBXAGGSA-N 451.040 6.488 50 10 JKGE Cc1c(Br)ccc([C@H](Br)[C@H]2CCC[C@H]2C(C)C)c1Br 2138851270 JVDIUFCNCCYTOL-MQIPJXDCSA-N 453.056 7.028 50 10 JKGE COc1c(Br)cc(C)cc1[C@@H](Br)c1ccccc1OCc1ccccc1 2139006725 XVYGUAUERUWGQU-NRFANRHFSA-N 476.208 6.829 50 10 JKGE CCC[C@H]1CN(C(=O)c2scc(Br)c2Br)C[C@@H]1CBr 2140768352 SRINHMGIMWNIHA-IUCAKERBSA-N 474.056 5.156 50 10 JKGE Clc1cc(CN2CC[C@@H]3C[C@@H](Br)CC[C@H]32)ccc1I 2142948822 DVBIXWZEYWARIF-TYNCELHUSA-N 454.577 5.083 50 10 JKGE Cc1c(Br)cccc1C[C@@H](CBr)Cc1cccc(Br)c1 2143690653 DUGCJMUGQBFAQU-AWEZNQCLSA-N 461.035 6.316 50 10 JKGE BrCc1cc(Br)cc(Br)c1OC[C@@H]1[C@H]2CCCCC[C@H]21 2167300772 VZIGAXBGYBRTHV-WDNDVIMCSA-N 467.039 6.312 50 10 JKGE CCOc1ccc(S(=O)(=O)N(Cc2ccccc2)CC(C)(C)C)cc1CBr 2179829124 XKYSJSSBJOKIPW-UHFFFAOYSA-N 454.430 5.217 50 10 JKGE COc1cc(Br)c([C@H](Br)C2CC(Br)C2)c(OC)c1OC 2196890886 MKTCEPNPKQKGSV-WZQIAMPNSA-N 472.999 5.084 50 10 JKGE CC1(C)C[C@@](C)(CBr)CN1C(=O)c1ccc(Br)cc1Br 2199537508 CGKKIIIVZDHATJ-HNNXBMFYSA-N 468.027 5.237 50 10 JKGE Cc1cc(Br)c(C)c([C@@H](Br)[C@@]23CC[C@@](C)(C2)OC3)c1Br 2201077391 ICJJPDIKWYVNGB-PMPSAXMXSA-N 467.039 6.224 50 10 JKGE COc1cc(Cl)c([C@H](Br)c2c(Br)c(C)nn2C)cc1Br 2202348957 UFJZZFDUFNEUSW-LBPRGKRZSA-N 487.417 5.400 50 10 JKGE COc1c(Br)cc(C)cc1[C@H](Br)c1ccc(F)cc1Br 2203829008 IEJYDEMCFKOSBC-CQSZACIVSA-N 466.970 6.152 50 10 JKGE COc1cc(Br)c([C@@H](Br)c2ccc(Br)s2)cc1C 2220439709 VKPHFBXKCQNABJ-CYBMUJFWSA-N 455.009 6.074 50 10 JKGE FC(F)(F)[C@@H]1CCO[C@@H]1[C@H](Br)c1cc(Br)sc1Br 2223760609 QTXOSGXMVFRSKW-NJUXHZRNSA-N 472.946 5.677 50 10 JKGE COc1ccc([C@H](Cl)c2sc(Br)cc2Br)c(Br)c1 2223964015 OVCFZAVTSGPUKK-NSHDSACASA-N 475.427 6.372 50 10 JKGE CCOCc1cc(Br)c([C@@H](Cl)c2ccccc2I)s1 2224796588 NGZUVNFNDDALFJ-ZDUSSCGKSA-N 471.585 5.980 50 10 JKGE C[C@H]1CN(Cc2ccccc2)C[C@H]1n1c(CCl)nc2cc(Br)c(Br)cc21 2225702979 UCMHCYIXYHFCSR-ORAYPTAESA-N 497.662 5.993 50 10 JKGE CCOc1ccc([C@@H](Br)c2sc(C)cc2Br)cc1Br 2229325849 NZBGYYSDGVTETK-CYBMUJFWSA-N 469.036 6.465 50 10 JKGE Clc1cc(Br)c([C@@H](Br)[C@H]2C[C@@H]3CCC[C@@H]3C2)c(Cl)c1Cl 2232513014 VUCBBSNQORJEHT-ZZIUEJKTSA-N 461.452 7.672 50 10 JKGE CCOCc1cc(Br)c([C@@H](Br)c2cccc(Br)c2C)s1 2233017270 BMGJVRGQKVZRRT-AWEZNQCLSA-N 483.063 6.602 50 10 JKGE CCCN[C@H](c1c(Br)cc(C)c(Br)c1C)C1CC(Br)C1 2235603766 KPNCMZXCQHTJOT-PPUFBPAQSA-N 468.071 6.043 50 10 JKGE Cc1cc(C(=O)N[C@H](C)CCCCCI)cc(C)c1Br 2235683213 IOGBCWRONDTDIS-CYBMUJFWSA-N 452.174 5.180 50 10 JKGE COc1cc(Br)c([C@@H](Br)c2nn(C)c(Br)c2C)cc1C 2236021711 GZPIXKGWSFQOJS-GFCCVEGCSA-N 466.999 5.055 50 10 JKGE BrC[C@]12CCCC[C@@H]1CN(Cc1c(Br)cccc1Br)C2 2239171152 GKZRTTHBDFNVOX-WBMJQRKESA-N 466.055 5.599 50 10 JKGE O=C(c1cc(Br)sc1Br)N1C[C@@H](Br)CC12CCCCC2 2241039315 JYFLUGYZQZWDAD-VIFPVBQESA-N 486.067 5.585 50 10 JKGE Fc1cccc(I)c1[C@@H](Br)c1ccc(Cl)c(Cl)c1 2255961004 RYIGCFHQZQEMAK-ZDUSSCGKSA-N 459.911 6.221 50 10 JKGE Fc1cc(Br)c(F)c(Br)c1[C@@H](Cl)c1cocc1Br 2260001497 MYCAGQBKKSZQLX-JTQLQIEISA-N 465.313 6.174 50 10 JKGE CC[C@H]1CN(C(=O)OCc2ccccc2)[C@H](CC)CN1CCCCCCCBr 2263167645 WOTYZMNKRCANQR-FCHUYYIVSA-N 453.465 5.843 50 10 JKGE FC1(F)C[C@@H]([C@H](Cl)c2c(Br)sc(Br)c2Br)C12CCC2 2266144455 YZPXOJFIYDJSII-XNCJUZBTSA-N 499.440 7.141 50 10 JKGE COc1cccc([C@H](Br)c2ccc(Br)cc2Br)c1Cl 2268262277 RYSKRLLIHIFGRH-CYBMUJFWSA-N 469.398 6.358 50 10 JKGE Brc1coc([C@@H](Br)c2cc3c(cc2Br)OCCO3)c1 2270492789 WAZFOVQJRYKEBR-ZDUSSCGKSA-N 452.924 5.060 50 10 JKGE CC(C)CN(C[C@@H](C)Br)C(=O)c1cc(Br)cc(Br)c1 2272428363 KFGAGUDFPNBKOA-SNVBAGLBSA-N 456.016 5.093 50 10 JKGE FC(F)[C@@H]1CCC[C@@H]1[C@H](Br)Cc1cc(Br)cc(Br)c1 2277954749 GGDQYSISVKSUNO-YNEHKIRRSA-N 460.982 6.199 50 10 JKGE COc1ccc([C@H](Cl)c2cc(Br)c(F)cc2C)cc1I 2285983295 DQFFTTNNTXZBDA-HNNXBMFYSA-N 469.519 5.838 50 10 JKGE COc1cccc(C=C(C#N)C(=O)Nc2ccc(C(=O)O)cc2)c1OCc1c(F)cccc1Cl 2293571049 GIKOVNCNTUCSQG-UHFFFAOYSA-N 480.879 5.311 50 10 JKGE O=C(Cc1cc(Br)cc(Br)c1)Nc1cccc(CBr)c1 2295315582 NRFZWQQHSFUBAO-UHFFFAOYSA-N 461.979 5.288 50 10 JKGE CCc1ccc(-c2csc(C(C#N)=CNc3ccccc3OC(F)(F)[C@@H](F)Cl)n2)cc1 2295945874 MJAIXSOSBBNFCP-OAQYLSRUSA-N 463.912 6.855 50 10 JKGE N#CC(=CNc1ccc(Cl)c(C(F)(F)F)c1)c1nc(-c2cccc3ccccc23)cs1 2296800603 INABZPVIYSSRHZ-UHFFFAOYSA-N 455.892 7.612 50 10 JKGE COc1cc(C=C(C#N)c2nc3cc(C)c(C)cc3[nH]2)ccc1OCc1ccc([N+](=O)[O-])cc1 2297380639 AGAPABPRIOERJL-UHFFFAOYSA-N 454.486 5.740 50 10 JKGE CC(C)(C)c1cc(C=C(C#N)C(=O)Nc2ccccc2Br)cc(C(C)(C)C)c1O 2297399996 RNNPLJJAAIMPGY-UHFFFAOYSA-N 455.396 6.295 50 10 JKGE Clc1c(Br)sc(Br)c1[C@H](Br)[C@@H]1C[C@H]2CC[C@@H]1C2 2298606885 IJMYBYSSDMQSNN-YYWONIAYSA-N 463.460 6.799 50 10 JKGE Cc1csc([C@H](Br)c2ccc(OCc3ccccc3)cc2Br)c1C 2299495537 LKYFAEVZRDAWQY-LJQANCHMSA-N 466.238 7.191 50 10 JKGE Brc1ccc(OCc2ccccc2)c([C@H](Br)[C@@H]2C[C@H]3C[C@H]3CO2)c1 2299505088 SWFVQCDSLJXWFQ-QBTDHISASA-N 452.186 5.889 50 10 JKGE C[C@@H](C[C@@H](Br)c1ccc(OCc2ccccc2)cc1Br)C(F)(F)F 2299505188 UQTUDOLZAAUCSQ-BLLLJJGKSA-N 466.135 7.053 50 10 JKGE CC(C)([C@@H](Br)c1ccc(OCc2ccccc2)cc1Br)C(F)(F)F 2299536220 XOJNXHVLLRUUNY-INIZCTEOSA-N 466.135 7.053 50 10 JKGE Clc1ccc(CO[C@H]2CCCC[C@@H]2I)c(I)c1 2301817710 JTLCVFYDGDRPNJ-AAEUAGOBSA-N 476.523 5.207 50 10 JKGE Cc1cccc(COc2ccc(Cl)cc2C=C(C#N)C(=O)Nc2ccc(Cl)c(Cl)c2)c1 2313631135 LEGZYVNZIBAZRW-UHFFFAOYSA-N 471.771 7.080 50 10 JKGE Brc1cc(OCc2ccccc2)ccc1[C@H](Br)[C@@H]1C[C@H]2O[C@H]1[C@H]1C[C@H]12 2314456278 VVQDKKVONHBDMF-GHMDXEKNSA-N 464.197 5.888 50 10 JKGE COc1ccc(-c2nn(-c3ccccc3)cc2C=C(C#N)c2nc(O)c3ccc(C)cc3n2)cc1 2314488730 OQJPJDWGXDXKPZ-UHFFFAOYSA-N 459.509 5.569 50 10 JKGE Brc1ccc(OCc2ccccc2)c([C@@H](Br)[C@H]2CC23CCCCC3)c1 2314499230 AHGSHYLSDLFVBF-TZIWHRDSSA-N 464.241 7.435 50 10 JKGE CCOC(=O)C(C#N)=Cc1ccc(OC(=O)C=Cc2ccc(Cl)cc2Cl)c(OCC)c1 2314735801 DOYNEKBFZVFOHA-UHFFFAOYSA-N 460.313 5.481 50 10 JKGE CCOc1ccc([C@H](Br)c2cnsc2Br)cc1Br 2315640415 RVDFAYWEYSDWMZ-NSHDSACASA-N 455.997 5.551 50 10 JKGE Cc1c(Cl)sc(Cl)c1[C@@H](Br)c1c(Br)c(Br)nn1C 2316832765 QBOUSGOXBJJSRM-RXMQYKEDSA-N 497.865 6.106 50 10 JKGE CCOc1cc(OCC)c([N+](=O)[O-])cc1C=C(C#N)c1nc(-c2ccc(Cl)cc2)cs1 2323831851 KVJBWEXGHYASTM-UHFFFAOYSA-N 455.923 6.233 50 10 JKGE Cc1cc(I)ccc1NC(=O)C(C#N)=CNc1cccc(Cl)c1C 2325405909 PLITXARQQLIGJI-UHFFFAOYSA-N 451.695 5.020 50 10 JKGE BrCc1cc(Br)cc(Br)c1OC[C@H]1CC[C@@H]2C[C@@H]2C1 2329778833 NWTDNNOYEFONHX-AXFHLTTASA-N 453.012 5.922 50 10 JKGE COc1ccc(OCC(O)=C(C#N)c2nc(-c3cc(C)ccc3OC)cs2)c(C(C)(C)C)c1 2331323549 CKWCAJPFMRJVDN-UHFFFAOYSA-N 464.587 6.305 50 10 JKGE Cc1ccc(COc2ccc(C=C(C#N)c3nc(-c4ccc(-c5ccccc5)cc4)cs3)cc2)cc1 2331414315 VZKLWBDGVDNPKZ-UHFFFAOYSA-N 484.624 8.429 50 10 JKGE CCOc1ccc(OCC)c(-c2csc(C(C#N)=Cc3cccc(OC)c3OCC)n2)c1 2331470060 CGNRSKNWWIZHBT-UHFFFAOYSA-N 450.560 6.079 50 10 JKGE Fc1cc(Br)c(F)c(Br)c1[C@@H](Br)[C@@H]1[C@H]2CCCO[C@H]21 2334720364 VAHBUBKILNFZES-MGSUKBINSA-N 460.938 5.351 50 10 JKGE COc1ccc(Br)cc1[C@@H](Cl)c1ccc(OCc2ccccc2)cc1Br 2336050227 JFCCFYLXTDUPMI-NRFANRHFSA-N 496.626 7.127 50 10 JKGE Brc1cc(OCc2ccccc2)ccc1[C@@H](Br)[C@@H]1CCn2nccc2C1 2336077042 DWLLYILTIWIYJK-IERDGZPVSA-N 476.212 5.923 50 10 JKGE CCCc1sc(Br)cc1[C@H](Br)c1ccc(Br)cc1C 2338024750 YAZSIVMXBIHXFA-OAHLLOKOSA-N 467.064 7.018 50 10 JKGE Cc1cc(Br)c(F)c(Br)c1[C@H](Br)[C@@H]1[C@H]2C[C@@H]3[C@H]1[C@@H]3C2 2339686661 ZTPKSEPJLWJLNT-WRIFRACCSA-N 452.987 5.997 50 10 JKGE COc1ccc(F)cc1[C@H](Br)c1ccc(Cl)cc1I 2340060900 ICCIBFBJCPTUTN-CQSZACIVSA-N 455.492 5.577 50 10 JKGE CC(C)(C)CCN(CCBr)Cc1ccc(Cl)cc1I 2341051940 QXVBTHWDRWXBGR-UHFFFAOYSA-N 458.609 5.578 50 10 JKGE ClCCCC1CCN(Cc2ccc(I)c(Br)c2)CC1 2349847690 LVOHSIUAJNVCLU-UHFFFAOYSA-N 456.593 5.285 50 10 JKGE Fc1cc(Cl)c(Br)c(Cl)c1[C@@H](Cl)c1ccc(Br)cc1Cl 2360430270 WVXGOTZGUYAOSH-LBPRGKRZSA-N 481.801 7.639 50 10 JKGE CCn1ncc(Br)c1[C@H](Cl)c1c(F)cc(Cl)c(Br)c1Cl 2360497467 QHNQPZACTYUKNV-LLVKDONJSA-N 465.375 6.202 50 10 JKGE CCCN[C@@H](c1c(Cl)cc(Br)c(F)c1Br)C1CC(Br)C1 2362250990 HUXSFTNWEAUIAA-HLCFFCTHSA-N 492.452 6.218 50 10 JKGE Cc1cc(Br)c(F)c(Br)c1[C@@H](Br)C1CC2(C1)CC21CC1 2365226289 SOEZZJAMWYDTOR-WAUNPFCKSA-N 467.014 6.675 50 10 JKGE Clc1cc(Cl)cc(CC[C@H](Br)c2ccc(Cl)c(Br)c2)c1 2366900225 VNPHZIAABPETBW-ZDUSSCGKSA-N 457.420 7.478 50 10 JKGE CC(C)(C)OC(=O)N[C@@H]1CN(C[C@@]2(CBr)CC2(F)F)C2(CCCCCC2)C1 2379983274 CTHVDLAVDGZHMW-YJBOKZPZSA-N 451.396 5.099 50 10 JKGE CC(C)(C)[C@@]1(CBr)CCN(Cc2cc(I)ccc2Cl)C1 2380509462 QOMFPPQVBYZYTF-MRXNPFEDSA-N 470.620 5.578 50 10 JKGE N#C/C(C(=O)Nc1ccccc1)=C1\S[C@H](Cc2ccccc2)C(=O)N1c1ccc(Cl)cc1 1790526 ZNOJHIBLRHIVFY-FNBPXTNNSA-N 459.958 5.405 50 10 JKGE Cc1ccc(C[C@@H]2S/C(=C(\C#N)C(=O)Nc3ccc(Cl)cc3)N(c3ccc(C)cc3)C2=O)cc1 1888119 PWTVLFKMSBQHQK-BSSRNLCFSA-N 488.012 6.022 50 10 JKGE Cc1ccc(C[C@H]2S/C(=C(\C#N)C(=O)Nc3ccc(Cl)cc3)N(c3ccc(C)cc3)C2=O)cc1 1888127 PWTVLFKMSBQHQK-GUNDDFSMSA-N 488.012 6.022 50 10 JKGE CCCOc1ccccc1/C=C(/C#N)C(=O)Nc1scc(-c2ccccc2)c1C(=O)OCC 33346503 YTHNPCTYVQXKIP-HKWRFOASSA-N 460.555 5.926 50 10 JKGE N#C/C(=C\c1ccc(-c2c(Cl)cccc2Cl)o1)C(=O)Nc1sc2c(c1C(N)=O)CCCC2 33568453 XTFPBKHXVVLBGD-ZRDIBKRKSA-N 486.380 5.838 50 10 JKGE COc1ccccc1[C@H]1C(C#N)=C(N)Oc2cc(OC(=O)COc3ccc(C(C)(C)C)cc3)ccc21 38650053 GBWBEWHOWMPGMZ-HHHXNRCGSA-N 484.552 5.195 50 10 JKGE Cc1cccc(OCC(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@H]3c2ccc(Cl)c(Cl)c2)c1C 38655981 YAIKZSHEPMTRFR-VWLOTQADSA-N 495.362 5.813 50 10 JKGE CCCCOc1ccc(C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@@H]3c2cccc3ccccc23)cc1 38657802 AIKRSHFQWBMILJ-GDLZYMKVSA-N 490.559 6.456 50 10 JKGE CSc1ccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)[C@H](C)Oc4ccccc4F)ccc32)cc1 38682419 UUXIUTQVHQGGIM-IZHWHUGBSA-N 476.529 5.139 50 10 JKGE CCOc1cc(/C=N/NC(=O)c2cc(-c3ccccc3)nc3ccccc23)cc(Br)c1O 39724878 IZHZQPFAUZGKBV-JFLMPSFJSA-N 490.357 5.533 50 10 JKGE CCCCc1ccc(NC(=O)c2oc3c(c2C)/C(=N/NC(=O)c2ccc(C)cc2)CCC3)cc1 40804491 VIFPLAJHKNZQSW-JJKYIXSRSA-N 457.574 5.962 50 10 JKGE Cc1ccc(NC(=O)c2oc3c(c2C)/C(=N/NC(=O)c2ccc(-c4ccccc4)cc2)CCC3)cc1 40822747 GCZBIJKLEWNEHI-WGPBWIAQSA-N 477.564 6.286 50 10 JKGE CCCCCCOc1ccc(/C=N/NC(=O)[C@H](C)Oc2ccc(C(C)(C)C)cc2)cc1OC 40961441 GHKVDAYXQRICPS-GBZINIMXSA-N 454.611 5.869 50 10 JKGE COc1ccc(C(=O)Oc2ccc3ccccc3c2/C=N/NC(=O)c2ccc(C(C)(C)C)cc2)cc1 48573675 HHBQGQBCRMVYMU-ZCTHSVRISA-N 480.564 6.129 50 10 JKGE O=C(N/N=C/c1cc(Cl)c(OCc2ccc([N+](=O)[O-])cc2)c(Cl)c1)c1cc2ccccc2o1 59680012 GXTOXFJOJYLOBW-RPPGKUMJSA-N 484.295 5.991 50 10 JKGE N#C/C(=C/c1ccccc1OCc1ccccc1Cl)c1nnc(NC(=O)c2ccccc2)s1 83296277 DSIIXHXPWLFYOF-ZHZULCJRSA-N 472.957 6.087 50 10 JKGE CC(C)[C@H](CBr)COc1c(Br)cc(Br)cc1Br 96871127 IBJDSANQQRIANU-MRVPVSSYSA-N 493.859 6.020 50 10 JKGE Brc1cc([C@H](Br)c2cc3c(s2)CCSC3)sc1Br 130429074 ZPJTZJUVLBZFEP-LLVKDONJSA-N 489.117 6.608 50 10 JKGE Fc1cccc(Cl)c1C[C@@H](Br)c1ccc(I)c(Cl)c1 232386230 ZFSXFZPBKGGIDX-SNVBAGLBSA-N 473.938 6.416 50 10 JKGE CC[C@H](C)c1ccc([C@@H](Br)c2ccc(Br)cc2Br)cc1 234020120 GWSSYSPOLQGPMM-APPDUMDISA-N 461.035 7.209 50 10 JKGE COc1cc(F)c(Br)cc1[C@H](Cl)c1ccc(Br)cc1Br 234922917 PGZBQTLJMZBHFV-CQSZACIVSA-N 487.388 6.450 50 10 JKGE Cc1cc([C@H](Br)c2cc(Br)ccc2I)cc(C)c1F 235857417 PTRKGUNAGYZHKP-AWEZNQCLSA-N 497.971 6.294 50 10 JKGE Cc1cc([C@H](Cl)c2cc(Br)ccc2I)sc1Cl 235879483 ZLIFHSZXNMLGOV-LLVKDONJSA-N 461.977 6.405 50 10 JKGE O=C(CSc1nnc(-c2ccccc2)n1-c1ccccc1)NN=Cc1ccc2ccccc2c1 252605791 GLXPROYAUZXTJF-UHFFFAOYSA-N 463.566 5.330 50 10 JKGE CCCCCCCCCCCCCCCC(=O)NN=Cc1ccc(OCc2ccccc2)cc1 254606046 IJBCLEVTSSNCRX-UHFFFAOYSA-N 464.694 8.197 50 10 JKGE Cc1ccc(C(=O)Oc2ccc3ccccc3c2C=NNC(=O)c2ccc([N+](=O)[O-])cc2)cc1 254742972 DTTQGCISRFTGPU-UHFFFAOYSA-N 453.454 5.040 50 10 JKGE CCCCCCCCC(=O)NN=Cc1ccc(OC(=O)c2ccc(OC)cc2)c(OCC)c1 254870869 IRYBYEJPAKUGIX-UHFFFAOYSA-N 454.567 5.514 50 10 JKGE O=C(CCN(Cc1ccccc1)Cc1ccccc1)Nc1ccccc1-c1nc(CCl)cs1 310713681 CTGHDDXUEYXHFY-UHFFFAOYSA-N 476.045 6.580 50 10 JKGE Cc1cc([C@@H](Br)c2ccc(Br)cc2Br)c(C)cc1F 386310524 BCJQEFMKCIMXIT-HNNXBMFYSA-N 450.971 6.452 50 10 JKGE COCCOc1ccc([C@@H](Br)c2nscc2Br)cc1Br 404971154 ZYOCGORSXJFKIO-GFCCVEGCSA-N 486.023 5.178 50 10 JKGE CC(C)(C)[Si](C)(C)OCCc1cccc([C@@H]2CCN(CCO[Si](C)(C)C(C)(C)C)C2)c1 616614829 WMSUVCZQKAJRBL-XMMPIXPASA-N 463.855 7.062 50 10 JKGE CC(C)(C)[Si](C)(C)OCc1ccc([C@H]2CCCN(S(=O)(=O)c3ccccc3)CC2)cc1 616631099 QWQVLNBIPXMGDZ-QFIPXVFZSA-N 459.728 6.167 50 10 JKGE Cc1ccc(Br)c([C@H](Br)c2ccc(F)c(Br)c2F)c1 691632416 UOHZBXWIBDLIPP-GFCCVEGCSA-N 454.934 6.283 50 10 JKGE BrCc1ccc(N2CCC3(CCN(Cc4ccccc4)CC3)CC2)cc1Br 691941486 QSWDIJNULNEPGE-UHFFFAOYSA-N 492.299 6.227 50 10 JKGE COc1cccc([C@H](Br)c2cc(Br)sc2Br)c1C 701144757 MAPUPRWVNHCLSL-LBPRGKRZSA-N 455.009 6.074 50 10 JKGE BrCc1ccc(N2CC[C@H]3[C@H](CCCN3Cc3ccccc3)C2)c(Br)c1 715014977 MLNHZIFCWXENKI-CTNGQTDRSA-N 478.272 5.835 50 10 JKGE Cc1cc(C)nc(COc2c(Br)cc(CBr)cc2Br)c1 723873584 IHZIWATUTHHILL-UHFFFAOYSA-N 463.995 5.697 50 10 JKGE Cc1sc([C@H](Br)c2ccc(OCc3ccccc3)cc2)c(C)c1Br 724926960 CEJCRHKYIAZQAH-LJQANCHMSA-N 466.238 7.191 50 10 JKGE O=C(N[C@H](CCBr)C1CCCC1)c1cc(Br)sc1Br 725076859 KDQQILLATCIXEZ-SNVBAGLBSA-N 474.056 5.347 50 10 JKGE CCc1ccc(OCCCC(=O)NN=Cc2c(Cl)cccc2Cl)c(Br)c1 1772755424 HBTJTAGNQPCIJV-UHFFFAOYSA-N 458.183 5.628 50 10 JKGE C=CCOc1ccccc1[C@@H]1C(C#N)=C(N)Oc2c1c(-c1ccccc1)nn2Cc1cccc(F)c1 1865691164 LHIIUGWLEUBJDR-RUZDIDTESA-N 478.527 5.520 50 10 JKGE CCn1nc(C(F)(F)F)c2c1OC(N)=C(C#N)[C@H]2c1ccc(OCc2ccc(C)cc2)c(OC)c1 1865696061 WWLKXFYNKKJTFB-HXUWFJFHSA-N 484.478 5.036 50 10 JKGE CCCn1nc(C)c2c1OC(N)=C(C#N)[C@H]2c1ccc(OCc2ccc(Cl)cc2Cl)cc1 1865700912 HONVWIDAQBLIMD-JOCHJYFZSA-N 469.372 5.706 50 10 JKGE CCOc1cc([C@@H]2C(C#N)=C(N)Oc3c2c(CC)nn3CC(C)C)ccc1OCc1ccccc1C 1865705286 QLQRUKBJHRFMTA-AREMUKBSSA-N 486.616 5.606 50 10 JKGE Cc1cccc([C@@H]2C(C#N)=C(N)Oc3c2c(-c2ccccc2)nn3Cc2ccc(Cl)cc2)c1 1865711140 QMGIBISUIUGJSS-HSZRJFAPSA-N 452.945 5.778 50 10 JKGE CCCc1nn(-c2ccc(Cl)c(Cl)c2)c2c1[C@H](c1ccc(OC)cc1)C(C#N)=C(N)O2 1865715111 WGWCAEFOWCIMIF-HXUWFJFHSA-N 455.345 5.358 50 10 JKGE CC[C@](C)(NC(=O)C[C@H](c1ccccc1)c1cccc(F)c1)C(=O)Nc1ccc(SC#N)cc1 1866783222 PWRPWRLUDWGCAW-SQHAQQRYSA-N 475.589 5.844 50 10 JKGE Cc1oc(-c2ccc(C(C)C)cc2)nc1CC(=O)N[C@H](C)C(=O)Nc1ccc(SC#N)cc1 1867183795 ZARSEXSCDHJCEI-MRXNPFEDSA-N 462.575 5.033 50 10 JKGE C[C@@H]1c2[nH]cnc2CCN1c1cc(Nc2ccc(SC#N)cc2)nc(-c2ccc(Cl)cc2)n1 1868433099 DOCTWYVAALYFHH-OAHLLOKOSA-N 473.993 5.961 50 10 JKGE COc1cc(/C=C(\C#N)c2ccc(C(=O)OC(C)C)o2)ccc1OCc1ccc(Cl)cc1Cl 1872728621 LRZPFNOTQVGDMH-VCHYOVAHSA-N 486.351 6.803 50 10 JKGE CCCCCCCOc1ccc(-c2csc(/C(C#N)=C(\O)c3cc([N+](=O)[O-])ccc3Cl)n2)cc1 1872753409 VOYDDLZQPOYEPT-FLFQWRMESA-N 498.004 7.671 50 10 JKGE COc1c(C)cc(Cl)cc1-c1csc(/C(C#N)=C(\O)CCCOc2ccccc2Cl)n1 1872757266 XNWVEKKTTBMSBR-JZJYNLBNSA-N 475.397 7.086 50 10 JKGE COc1cc(C)c(-c2csc(/C(C#N)=C(\O)[C@H](C(C)C)N3C(=O)c4ccccc4C3=O)n2)cc1C 1872757993 GMEVFXNZRJBSDV-ODMPFRHRSA-N 487.581 5.549 50 10 JKGE FC(F)(F)[C@@H]1OC2([C@H](Br)c3sc(Br)cc3Br)CC1C2 1878414381 DKQOHONHYVRQQH-DJXAJUJTSA-N 484.957 5.819 50 10 JKGE O=C1c2ccccc2C(=O)N1C[C@H](Br)CCc1ccc(Cl)c(Br)c1 1905437732 JKMCSWGQKSZPOX-GFCCVEGCSA-N 471.576 5.095 50 10 JKGE Fc1cc(Br)c2nc(CCl)n(-c3ccc(I)cc3)c2c1 1912679878 JXBCLYGGBTYIRO-UHFFFAOYSA-N 465.491 5.271 50 10 JKGE Clc1ccc(C[C@H](Br)c2ccc(I)c(Cl)c2)nc1 1918240402 VQRKEUJSHFZAGW-NSHDSACASA-N 456.936 5.672 50 10 JKGE Cc1c(Br)sc([C@H](Br)C(F)(F)CC2CC2)c1Br 1922932143 JAQIZLVXIDLJTC-VIFPVBQESA-N 452.984 6.453 50 10 JKGE C[C@H]1COc2ccc([C@H](Br)c3cc(Br)sc3Br)cc21 1925723397 XEWCJNDSNUNQDN-CPFSXVBKSA-N 467.020 6.253 50 10 JKGE Brc1ccc(Br)c([C@@H](Br)c2cc(Br)sn2)c1 1983286220 NOJFKVIHXUBLPG-SNVBAGLBSA-N 490.840 5.915 50 10 JKGE Cc1cc([C@H](Cl)c2c(Br)sc(Br)c2Cl)sc1Cl 2000998049 KZLZZOSCXBKWMB-LURJTMIESA-N 455.451 7.278 50 10 JKGE Fc1cc(Br)cc(N(CCC(F)(F)F)Cc2ccccc2)c1CBr 2004046451 ZEXKYHHVSRURRJ-UHFFFAOYSA-N 469.114 6.442 50 10 JKGE C[C@@H](CCOc1c(Br)cc(Br)cc1CBr)C(F)F 2039987569 OXYRGKDIOAVQFI-ZETCQYMHSA-N 450.943 5.777 50 10 JKGE Brc1cc([C@H](Br)[C@H]2C[C@@H]2C2CCCCC2)c(Br)s1 2079384642 ITWYIDWXROZUGJ-GBIKHYSHSA-N 457.069 6.926 50 10 JKGE Cc1c(Br)ccc([C@@H](Br)C[C@@H](C)C(F)(F)F)c1Br 2083323525 XGPZFGCGFHGEEX-LDWIPMOCSA-N 452.934 6.545 50 10 JKGE CC(C)c1nc(Br)c(Br)n1CC1(CBr)CCCCC1 2087650681 MYGPCYKQFBZABA-UHFFFAOYSA-N 457.048 5.877 50 10 JKGE Cc1cc([C@H](Br)c2cccc(Br)c2Br)cc(C)c1F 2092327469 BEIMBZYJMSOBCL-ZDUSSCGKSA-N 450.971 6.452 50 10 JKGE Fc1cc([C@H](Cl)c2cccc(Br)c2Br)c(F)cc1Br 2092327729 DTGGWUOPIYNSNS-CYBMUJFWSA-N 475.352 6.581 50 10 JKGE C[C@H]1Cc2cc(Br)cc([C@@H](Br)c3cscc3OCc3ccccc3)c2O1 2100093574 NXKVQMHPLFLPOT-RNODOKPDSA-N 494.248 6.897 50 10 JKGE C[C@]1(n2c(CCl)nc3cc(Cl)c(Br)cc32)CCN(Cc2ccccc2)C1 2112696685 PJSASIXJVHCWTA-FQEVSTJZSA-N 453.211 5.812 50 10 JKGE Cc1nc([C@@H](Br)c2c(C)cc(C)c(Br)c2C)c(Br)s1 2113185359 PRHFTMQFOMUHCN-LBPRGKRZSA-N 468.052 6.386 50 10 JKGE CN(Cc1cc(Br)ccc1Br)C[C@H](Br)C1CCCC1 2118520015 PZIKUTOJESCPQF-HNNXBMFYSA-N 454.044 5.597 50 10 JKGE Cc1cc(Br)c(C)c([C@H](Br)[C@H](C)[C@H]2CCCO2)c1Br 2136369990 MJFROGLCGVPVHM-IXPVHAAZSA-N 455.028 6.080 50 10 JKGE CCC1(C)CC([C@H](Br)c2c(C)c(Br)cc(C)c2Br)C1 2136374690 ODXOIYWVXWJRPU-AJQRCPHMSA-N 453.056 7.091 50 10 JKGE Cc1sc(Br)c([C@@H](Br)Cc2ccc(Br)cc2F)c1C 2138257987 LTJNTNFABXRBHW-NSHDSACASA-N 471.027 6.708 50 10 JKGE Clc1cc(Br)ccc1[C@H](Br)c1cc(Br)c2c(c1)CCO2 2146628701 OXGOQXGBIYCHDT-CQSZACIVSA-N 481.409 6.284 50 10 JKGE CC(C)(CBr)[C@@H]1CCCN1C(=O)c1cccc(Br)c1Br 2155836458 CJJUFHLWCAWOGY-LBPRGKRZSA-N 468.027 5.237 50 10 JKGE FC1(F)CC2(C1)CC(CBr)(Cc1cc(Cl)ccc1I)C2 2158854903 YIMWZEYHRZHZBU-UHFFFAOYSA-N 475.542 6.078 50 10 JKGE Clc1c(Br)sc(Br)c1[C@@H](Cl)[C@H]1CC2(CCCCC2)CO1 2166261272 OLLREXNFAWXMAB-SCZZXKLOSA-N 463.062 6.946 50 10 JKGE O=C(c1cc(Br)sc1Br)N1CCC[C@@H]2CC[C@H](Br)C[C@@H]21 2167014500 WLSQBWKVJADGME-YWVKMMECSA-N 486.067 5.441 50 10 JKGE CCOc1ccc([C@@H](Cl)c2cc(I)ccc2F)cc1Br 2169668120 MLXIUKFBIJGPAM-OAHLLOKOSA-N 469.519 5.920 50 10 JKGE C[C@@H]1C[C@H](C(F)(F)F)N(C[C@H](CBr)C(C)(C)C)CCN1C(=O)OC(C)(C)C 2178265116 WPWZNHIJSRGMSF-QLFBSQMISA-N 459.391 5.306 50 10 JKGE Cc1cc(Br)c(CBr)c(N(C)[C@H](C)c2cc(Br)cs2)c1 2186580058 YEYQYDHUVOZEAO-SNVBAGLBSA-N 482.079 6.674 50 10 JKGE FC(F)(F)c1cc(Cl)cc([C@H](Cl)c2cc(Br)c(Br)s2)c1 2200837752 ICDDXBXZZVIQFA-JTQLQIEISA-N 468.947 7.274 50 10 JKGE Cc1c(Br)ccc([C@@H](Br)[C@H]2CCCCC23CCC3)c1Br 2203700048 AWQPOJPTWFVJII-CZUORRHYSA-N 465.067 7.317 50 10 JKGE Cl[C@H](c1ccc(I)c(Br)c1)c1ccc(-c2cccs2)s1 2205856720 BEVRWSQKSXVXEZ-OAHLLOKOSA-N 495.632 7.172 50 10 JKGE C[C@@H](Cl)c1nc2cc(Br)ccc2n1C[C@H]1CC1(Br)Br 2224804333 JRTUDLOFLGBUCM-HTQZYQBOSA-N 471.418 5.605 50 10 JKGE CCC[C@@H](C(C)C)[C@H](Br)c1c(Br)cc(C)c(Br)c1C 2227362269 MGZXIGYRNWJPOF-LRDDRELGSA-N 455.072 7.337 50 10 JKGE BrCc1cc(Br)cc(Br)c1OC[C@@H]1OC[C@@H]2CCC[C@@H]21 2233359500 DLWDAMLZSSJHMW-WFBYXXMGSA-N 469.011 5.300 50 10 JKGE Cc1cc(Br)c([C@@H](Br)c2cc(F)cc(Cl)c2)c(C)c1Br 2235603511 BNRFPZCXQOJZOF-HNNXBMFYSA-N 485.416 7.105 50 10 JKGE Clc1c(Br)csc1[C@H](Br)Cc1ncccc1Br 2246468731 RCWJBDDULCPQLO-SSDOTTSWSA-N 460.416 6.000 50 10 JKGE Cc1cc(Cl)c(Cl)cc1[C@@H](Br)c1sc(Br)cc1Br 2258559836 UPROQMDTONSZGU-LLVKDONJSA-N 493.873 7.373 50 10 JKGE Fc1cc(Br)c(F)c(Br)c1[C@@H](Br)CC1CC(F)C1 2260005107 DQANHVTWUNUQQV-AHXFUIDQSA-N 450.918 6.064 50 10 JKGE CC1(C)C[C@H]([C@H](Br)c2c(F)cc(Br)c(F)c2Br)CO1 2272724211 NTGGVUXOMCQYJI-WKEGUHRASA-N 462.954 5.741 50 10 JKGE Fc1ccc(Cl)c([C@@H](Br)Cc2cc(Br)cc(Br)c2)c1 2277964311 DPFACIUXDOAGNE-ZDUSSCGKSA-N 471.389 6.683 50 10 JKGE Clc1cc(CN2C[C@H](Br)C[C@@H]3CCCC[C@@H]32)ccc1I 2279521123 DKWNLHXRYGRAMM-ZENOOKHLSA-N 468.604 5.473 50 10 JKGE Fc1cccc(I)c1[C@@H](Cl)c1cc(Br)c2c(c1)CCO2 2282904741 QHYJOHNCNMWJBV-AWEZNQCLSA-N 467.503 5.456 50 10 JKGE COc1ccc([C@@H](Br)[C@@H]2C(F)(F)C23CCCC3)cc1I 2284998334 QQQWKAHFFNFMQD-OLZOCXBDSA-N 457.096 5.561 50 10 JKGE CC1(C)CO[C@@H](C[C@H](Br)c2c(F)cc(Br)c(F)c2Br)C1 2288497484 UAVXAYOAGGJKCV-YUMQZZPRSA-N 476.981 6.131 50 10 JKGE N#CC1=C(N)OC2=C(CCC2=Cc2cccc(Br)c2)[C@@H]1c1cccc(Br)c1 2296736752 XSZWMKLFBBGEQK-FQEVSTJZSA-N 484.191 6.151 50 10 JKGE N#CC(=Cc1ccc(-c2ccc(Cl)c(Cl)c2)o1)c1nn(-c2ccccc2)c(C#N)c1C#N 2297016080 XXHUNXRFIXFHQT-UHFFFAOYSA-N 456.292 6.247 50 10 JKGE CCCOc1ccc(C=C(C#N)C(=O)Nc2ccccc2Oc2ccccc2)c(OCCC)c1 2297488345 FYEREHZMNYGNBR-UHFFFAOYSA-N 456.542 6.602 50 10 JKGE C[C@@H]([C@H](Br)c1ccc(OCc2ccccc2)cc1Br)[C@H]1CCCO1 2299535947 UXLMPYWCHQJION-XMCHAPAWSA-N 454.202 6.279 50 10 JKGE C[C@@H]1C[C@]1(F)[C@@H](Br)c1c(Cl)cc(Br)c(F)c1Br 2300174565 SBDHZWFANPSRHG-CKHLCZOGSA-N 453.346 6.188 50 10 JKGE Fc1cc(Br)c(Cl)cc1[C@H](Br)c1cnsc1Br 2300291174 UCBJCGUHUAYMAN-VIFPVBQESA-N 464.379 5.945 50 10 JKGE FC(F)(F)[C@@H]1CC[C@H]1[C@H](Br)c1sc(Cl)cc1I 2300950168 WYYFHFVLRPTPEQ-LRMHIPNDSA-N 459.496 6.031 50 10 JKGE Cc1ccc(C(=O)Oc2ccc(C=C(C#N)C(=O)Nc3cc([N+](=O)[O-])ccc3Cl)cc2)cc1 2313670718 RJKRRSXYEQDQEN-UHFFFAOYSA-N 461.861 5.322 50 10 JKGE CCOc1ccc(NC(=O)C(C#N)=Cc2cn(Cc3ccc(Cl)cc3Cl)c3ccccc23)cc1 2313681175 QFJDQEQUDLTDEN-UHFFFAOYSA-N 490.390 6.941 50 10 JKGE Brc1ccc(OCc2ccccc2)c([C@@H](Br)[C@H]2CCCCC23CC3)c1 2314439470 HVDKARKJUWWFRB-TZIWHRDSSA-N 464.241 7.435 50 10 JKGE N#CC(=Cc1ccc(-c2ccc(C(=O)O)cc2)o1)c1nc(O)c2cc(Br)ccc2n1 2314488809 PCQQACFMEVIICQ-UHFFFAOYSA-N 462.259 5.120 50 10 JKGE CC1=C(C#N)C(=O)N(Cc2ccccc2Cl)C(=O)C1=Cc1ccc(-c2ccc(Cl)cc2)o1 2314620576 RGWYNAMQZUJJNB-UHFFFAOYSA-N 463.320 6.046 50 10 JKGE CCc1ccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)C=Cc4ccc(OC)cc4)ccc32)cc1 2314634359 HXCUMTZHBFNRDL-HHHXNRCGSA-N 452.510 5.095 50 10 JKGE CC[C@@]1(C)[C@H](Br)CCN1C(=O)c1cc(Br)sc1Br 2315152366 QVPAQITYNGHAKZ-PELKAZGASA-N 460.029 5.051 50 10 JKGE Clc1ccc([C@H](Br)c2ncn3ccsc23)c(I)c1 2317772960 IMRWFEOKZSJIKX-JTQLQIEISA-N 453.530 5.138 50 10 JKGE COc1ccc(C(C#N)=Cc2ccc(OC(=O)[C@H](C)Oc3ccc(Cl)cc3Cl)cc2)cc1OC 2320507042 XMKSKPJZLZTRQM-INIZCTEOSA-N 498.362 6.448 50 10 JKGE CCCOc1ccc(C=CC(=O)NN=C2C(=O)N(Cc3ccccc3Cl)c3ccccc32)cc1 2326841457 CVYZBIUIHYSKJG-UHFFFAOYSA-N 473.960 5.209 50 10 JKGE COC(=O)c1c(NC(=O)C(C#N)=Cc2ccc(C)cc2)sc(C)c1-c1ccc(Br)cc1 2329632734 JJTDYMWZTOTDSL-UHFFFAOYSA-N 495.398 6.127 50 10 JKGE CCCOc1ccc(-c2csc(C(C#N)=C(O)CCCOc3ccccc3Cl)n2)cc1 2331318244 MOLHDLLWBBFJEH-UHFFFAOYSA-N 454.979 6.904 50 10 JKGE CCCCCCOc1ccc(C(O)=C(C#N)c2nc(-c3ccc(Oc4ccccc4)cc3)cs2)cc1 2331358817 RJHVNRKAWXQUBJ-UHFFFAOYSA-N 496.632 8.511 50 10 JKGE COc1ccc(-c2csc(C(C#N)=C(O)Cc3ccc(Br)cc3)n2)c(C)c1C 2331360202 NKAYHOBAAWTMNW-UHFFFAOYSA-N 455.377 6.233 50 10 JKGE COc1c(Cl)cc(Cl)cc1-c1csc(C(C#N)=C(O)c2ccc([N+](=O)[O-])c(C)c2)n1 2331364267 ZOXFVPKIEBHMKW-UHFFFAOYSA-N 462.314 6.292 50 10 JKGE N#CC(=Cc1ccc(OCc2ccc(Cl)cc2)cc1)c1nc(-c2ccc3c(c2)CCCC3)cs1 2331416376 CVCHLOFICKUNME-UHFFFAOYSA-N 483.036 7.985 50 10 JKGE COc1ccc(Cl)cc1-c1csc(C(C#N)=Cc2ccc(OCc3ccccc3Cl)cc2)n1 2331491918 WUBWPCBXMQDUBG-UHFFFAOYSA-N 493.415 7.769 50 10 JKGE Cc1cc(Br)c([C@H](Br)C[C@@H]2CC[C@@H]2C2CC2)cc1Br 2342184492 FPJICYPCXNPPGC-HWWQOWPSSA-N 451.040 6.782 50 10 JKGE CC1=C(C)C[C@](CBr)(Cc2ccc(Br)cc2Br)CC1 2343448228 URVXABDMKBSCMI-INIZCTEOSA-N 451.040 6.656 50 10 JKGE Fc1ccc([C@@H](CBr)Cc2ccc(I)c(Br)c2)cc1 2349852961 NHQJVACDFRTRPJ-GFCCVEGCSA-N 497.971 5.914 50 10 JKGE CS(=O)(=O)C1CC([C@H](Br)c2c(F)cc(Cl)c(Br)c2Cl)C1 2360482648 AIZXTYXJHOAZOY-JCSINIIFSA-N 468.997 5.154 50 10 JKGE CCCN(c1cc(Cl)c(F)cc1CBr)C1CCN(Cc2ccccc2)CC1 2362390740 FUUHZPGKSYTFIZ-UHFFFAOYSA-N 453.827 6.255 50 10 JKGE FC(F)(F)c1cccc(Cl)c1[C@H](Cl)c1sc(Cl)cc1I 2363877248 NHISCAMVIDUSRZ-JTQLQIEISA-N 471.496 7.007 50 10 JKGE COc1ccc([C@@H](Br)c2c(Br)c(Br)nn2C)c(C)c1C 2364049498 BYBOSASLIMMZKR-LLVKDONJSA-N 466.999 5.055 50 10 JKGE COc1c(Br)cc(C)c([C@@H](Br)[C@H]2C3C[C@@H]4C2[C@@H]4C3)c1Br 2365192109 AGXJZPFQGUHFTL-PDROVXHXSA-N 465.023 5.867 50 10 JKGE CC(C)[C@@H](Br)C(C)(C)CNC(=O)c1ccc(I)c(Cl)c1 2365855973 JWYTZVQBZCYUHR-CYBMUJFWSA-N 472.592 5.120 50 10 JKGE CN(CC[C@H](Br)c1cccs1)C(=O)c1cc(Br)c(Cl)s1 2366237167 IWAUFKUWLZYFIY-QMMMGPOBSA-N 457.640 5.824 50 10 JKGE Cc1cc(Br)c(C)c([C@@H](Br)[C@@H]2CC[C@H]2C(C)(C)C)c1Br 2369235295 OEAIXXLIQQKVPG-HSMVNMDESA-N 467.083 7.337 50 10 JKGE CCCCOC(=O)c1cc(-c2ccc(/C=C(/C#N)c3nc4ccc(C)cc4[nH]3)o2)ccc1Cl 6162054 WABVJJNPAMCMHV-AQTBWJFISA-N 459.933 6.806 50 10 JKGE CC(C)(C)c1ccc(OCC(=O)NNC(=O)c2ccc(-c3ccccc3)cc2)c(Br)c1 12403473 RTMUJLVZZFFEGY-UHFFFAOYSA-N 481.390 5.254 50 10 JKGE COc1ccc(C[C@@H]2S/C(=C(\C#N)C(=O)Nc3cccc(C)c3)N(c3ccccc3C)C2=O)cc1 33739584 XNIPGTDLTNDTPA-SJUMRLIPSA-N 483.593 5.377 50 10 JKGE N#C/C(=C/c1ccccc1I)c1nc(-c2ccc(Br)cc2)cs1 33927894 SESUSHXDKOJYOH-ZROIWOOFSA-N 493.167 6.241 50 10 JKGE CCCN(CCC(=O)Nc1nnc(-c2ccc(Cl)cc2)s1)C(=O)[C@H](Cl)c1ccccc1 35700851 IVTVANVQRVYQRV-LJQANCHMSA-N 477.417 5.406 50 10 JKGE COc1ccccc1OCC(=O)Oc1ccc2c(c1)OC(N)=C(C#N)[C@@H]2c1ccc(C(C)C)cc1 38649416 GOGGXXCWYCCGMZ-HHHXNRCGSA-N 470.525 5.021 50 10 JKGE N#C/C(=C\c1ccc(-c2ccc(F)cc2)o1)c1nc(-c2ccc(Br)cc2)cs1 39885018 YEONAUWYYQTRTJ-LFIBNONCSA-N 451.320 7.036 50 10 JKGE Fc1cc(Br)c(Cl)cc1[C@@H](Br)c1cccc(F)c1Br 97895899 UPQDCGFFIBLZAW-LBPRGKRZSA-N 475.352 6.628 50 10 JKGE CCCCOc1ccc(N/C=C(/C#N)c2nc(-c3ccc(-c4ccccc4)cc3)cs2)cc1 100179477 AUHVXVLVGVIMFY-CLCOLTQESA-N 451.595 7.633 50 10 JKGE CCCOC(=O)c1ccc(N/C=C(/C#N)c2nc(-c3ccc(Br)cc3)cs2)cc1 102934365 ZBQOOVDCPMLUQC-LGMDPLHJSA-N 468.376 6.116 50 10 JKGE CCCCCCCC(=O)N/N=C/c1ccc(Sc2nc3ccccc3c(=O)n2-c2ccccc2)o1 105455988 KBPZURRGNWQOJW-TURZUDJPSA-N 488.613 5.941 50 10 JKGE CCOc1ccc(Br)cc1[C@H](Br)Cc1ccc(Cl)c(Cl)c1 109871696 YHVWBEZYLXUISD-CYBMUJFWSA-N 453.001 6.833 50 10 JKGE CCOc1cc(Br)c([C@@H](Cl)c2sccc2Br)cc1OCC 111535948 TXLVPBKOUJVGIN-CQSZACIVSA-N 454.611 6.399 50 10 JKGE CCCCCCCC(CBr)(CBr)c1cccc(Br)c1 118878713 ABWVRDDDUTWXFY-UHFFFAOYSA-N 455.072 6.837 50 10 JKGE Fc1ccc([C@H](Br)c2cc(C(F)(F)F)ccc2Br)cc1Br 159845064 QLIMCMSGGHCNMY-ZDUSSCGKSA-N 490.914 6.854 50 10 JKGE C(\Cc1ccccc1)=C(\O[Si](c1ccccc1)(c1ccccc1)c1ccccc1)c1ccccc1 195824718 MJUQVULYBPRGTI-KGGMANCPSA-N 468.672 5.954 50 10 JKGE CCCCCN1C(=O)C(C#N)=C(C)/C(=C/c2cn(-c3ccccc3)nc2-c2c(C)cc(C)cc2C)C1=O 214231704 NXWAROVJAPQTQE-ONUIUJJFSA-N 492.623 6.247 50 10 JKGE O=C(c1cc(Br)c(Br)s1)N(CCCBr)C1CCC1 228554212 RXYNNKZLVPFKGZ-UHFFFAOYSA-N 460.029 5.053 50 10 JKGE O=C(N/N=C/c1cc(/N=N/c2cccc(C(F)(F)F)c2)ccc1O)[C@@H]1COc2ccccc2O1 228728457 SNPRGXVZXCKVCN-PKAIHRNZSA-N 470.407 5.117 50 10 JKGE COc1ccc(C[C@H](Br)c2cc(Br)ccc2I)cc1 234929216 JTWBAKHQLQCVMO-AWEZNQCLSA-N 495.980 5.741 50 10 JKGE Clc1c(Br)cccc1[C@H](Br)c1cc2c(cc1Br)OCC2 308414190 KFHGHPJULIKPMH-AWEZNQCLSA-N 481.409 6.284 50 10 JKGE O=C(OCc1ccccc1)N1C[C@@H](CBr)[C@H](c2ccccc2Br)C1 382679485 AUOKUEJREXUWGC-NVXWUHKLSA-N 453.174 5.196 50 10 JKGE C[C@H](Cl)c1nc2cc(I)ccc2n1C[C@@H](C)COCc1ccccc1 390410124 FTAXGDOULCFNFE-CABCVRRESA-N 468.766 5.794 50 10 JKGE C[C@H](COCc1ccccc1)Cn1c([C@@H](C)Cl)nc2cc(I)ccc21 390410128 FTAXGDOULCFNFE-LSDHHAIUSA-N 468.766 5.794 50 10 JKGE CC1(C)C[C@@H](Br)CCN(C(=O)c2cc(Br)cc(Br)c2)C1 395350283 RJRPNFTWZBKRAB-NSHDSACASA-N 468.027 5.237 50 10 JKGE Cc1cc(Br)c([C@H](Br)CC(C2CC2)C2CC2)cc1Br 400836042 BMPDMXPKTSZMDD-MRXNPFEDSA-N 451.040 6.782 50 10 JKGE COc1cc([C@@H](Br)c2ccsc2Br)c(OC)cc1Br 698575093 JVLGHOVAOKZUSB-LBPRGKRZSA-N 471.008 5.775 50 10 JKGE CCCCc1ccc([C@H](Br)c2scc(Br)c2Br)cc1 705464246 KFBXENFPDDOQHQ-ZDUSSCGKSA-N 467.064 7.100 50 10 JKGE CCO[C@@H]1CCC[C@@H](O[C@@H](CI)c2ccc(Br)cc2)C1 721638143 CKLAVCIKQWNKGZ-OAGGEKHMSA-N 453.158 5.290 50 10 JKGE COc1cc(C=NNC(=O)c2cccc(Cl)c2)ccc1OCc1ccc(Cl)cc1Cl 725379746 IEZQCWGRTJSFOD-UHFFFAOYSA-N 463.748 5.998 50 10 JKGE COc1cc(C=NNC(=O)c2ccc(-n3c(C)ccc3-c3ccccc3)cc2)cc(Cl)c1OC 1084370474 QUZJYMIWJKSKFQ-UHFFFAOYSA-N 473.960 5.887 50 10 JKGE CC(=NNC(=O)COc1ccccc1)c1ccc2c(c1)[C@@H]1C=CC[C@@H]1[C@H](c1ccc(F)cc1)N2 1084472247 WKEMMDILCWWYAY-NYULUDCUSA-N 455.533 5.571 50 10 JKGE CO[C@@H](C(=O)NN=Cc1c(Br)c(C)n(-c2cc(C)ccc2C)c1C)c1ccccc1 1084568797 QITFWKZEAUMEQA-HSZRJFAPSA-N 468.395 5.311 50 10 JKGE Cc1cc(C=NNC(=O)C(=O)Nc2ccc(C(C)C)cc2)c(C)n1-c1cc(Cl)ccc1Cl 1084655455 NVZCVRKSUUSMMY-UHFFFAOYSA-N 471.388 5.613 50 10 JKGE Cc1c(C(=O)Oc2ccc(Cl)cc2Cl)oc2c1C(=NNC(=O)c1ccc(O)cc1)CCC2 1772745016 OLZOLRJDPHAAJB-UHFFFAOYSA-N 473.312 5.290 50 10 JKGE CCc1ccc(NC(=O)c2oc3c(c2C)C(=NNC(=O)Cc2coc4c(C)c(C)ccc24)CCC3)cc1 1772751974 QHLFDANTGQABCX-UHFFFAOYSA-N 497.595 6.165 50 10 JKGE Cc1cccc(COc2ccc3ccccc3c2C=NNC(=O)CSc2nc3ccccc3s2)c1 1772760457 OAFDPEOCQPQHAH-UHFFFAOYSA-N 497.645 6.579 50 10 JKGE N#CSc1ccc(NC(=O)Oc2cccc3c(NC(=O)c4cccc(Cl)c4)cccc23)cc1 1858771643 TWNQLDLKHQDJIR-UHFFFAOYSA-N 473.941 6.930 50 10 JKGE CCCc1nn(Cc2ccc(F)cc2)c2c1[C@H](c1c(OC)ccc3ccccc13)C(C#N)=C(N)O2 1865688491 TXSZNBIQDISKSG-VWLOTQADSA-N 468.532 5.403 50 10 JKGE CCCCCOc1ccc([C@H]2C(C#N)=C(N)Oc3c2c(C)nn3Cc2ccccc2)cc1OCC 1865690813 BQZOXWIGOCORLJ-SANMLTNESA-N 472.589 5.426 50 10 JKGE CCCCCCOc1ccc([C@H]2C(C#N)=C(N)Oc3c2c(C)nn3Cc2ccc(F)cc2)cc1OC 1865697041 VCFSYFKOXKHUNF-SANMLTNESA-N 490.579 5.565 50 10 JKGE COc1ccc(/C=C(\C#N)C(=O)NCC[C@@H](C)c2cccc(-c3ccc(O)cc3)c2)cc1OC 1866130142 CLFILRKKPCGERX-IERINAHZSA-N 456.542 5.293 50 10 JKGE CC[C@@](C)(NC(=O)CCc1nc(-c2ccc(OC)cc2)cs1)C(=O)Nc1ccc(SC#N)cc1 1867072606 YTORVZBNCGABIU-RUZDIDTESA-N 494.642 5.248 50 10 JKGE Cc1cccc(N2C(=O)c3ccc(/C(O)=C(\C#N)c4nc(-c5cccs5)cs4)cc3C2=O)c1C 1872750458 JIHWMMJXJVZDMR-NMWGTECJSA-N 483.574 6.239 50 10 JKGE Cc1cc(C)c(C)c(-c2csc(/C(C#N)=C(O)/C=C/c3ccc(OCc4ccccc4)cc3)n2)c1C 1872754595 ZYYAKWZECFWAIP-CKQXWFOISA-N 492.644 8.129 50 10 JKGE COc1cc(OC)c(-c2csc(/C(C#N)=C(\O)c3ccc(Cl)c([N+](=O)[O-])c3)n2)cc1Cl 1872756708 WQCQDHMLNHCNKU-UNOMPAQXSA-N 478.313 5.992 50 10 JKGE N#C/C(=C\c1cc(Br)ccc1F)c1nc(-c2cccc(Br)c2)cs1 1872784309 JTXWLNKNPNBSDX-AWNIVKPZSA-N 464.157 6.538 50 10 JKGE CCOc1cc(/C=C(\C#N)c2nc(-c3ccc4c(c3)OCO4)cs2)ccc1OCc1ccc(C)cc1 1872792105 FEPCHLYGDVEQPY-FSJBWODESA-N 496.588 6.889 50 10 JKGE COc1ccc(-c2csc(/C(C#N)=C/c3ccc(OCCc4ccccc4)c(OC)c3)n2)c(OC)c1 1872793663 MEQCEZLSFAEZST-PXLXIMEGSA-N 498.604 6.522 50 10 JKGE CC(C)(C)OC(=O)N[C@H](CBr)[C@H]1CCCC[C@@]12CCN(C(=O)OC(C)(C)C)C2 1885093028 JZVBOOUPLDBKOB-ZOCZFRKYSA-N 461.441 5.092 50 10 JKGE Cc1nscc1[C@H](Br)c1ccc(OCc2ccccc2)cc1Br 1899869017 XXRJICDKAXTWML-GOSISDBHSA-N 453.199 6.277 50 10 JKGE Brc1ccc([C@H](CI)OCCCOCc2ccccc2)cc1 1910509872 PXNYHGXSSRNLRE-SFHVURJKSA-N 475.164 5.549 50 10 JKGE Cc1nsc(Br)c1[C@H](Br)c1cc2c(cc1Br)OCC2 1912933672 SVXBJLLHVIZQLC-GFCCVEGCSA-N 468.008 5.396 50 10 JKGE BrC[C@H]1CN(Cc2c(Br)cccc2Br)CC12CCC2 1914512734 FLRKHNLKSRDZPQ-NSHDSACASA-N 452.028 5.209 50 10 JKGE O=C(c1cc(Br)cc(Br)c1)N(CCCBr)Cc1ccccc1 1914628296 RMLNHFAZYDQBLQ-UHFFFAOYSA-N 490.033 5.639 50 10 JKGE CC(C)[C@H](CBr)N(Cc1ccccc1)C(=O)c1cc(F)ccc1Br 1915297463 HLXQRAOKJZLMAE-SFHVURJKSA-N 457.181 5.650 50 10 JKGE Brc1cc(Br)c([C@@H](Br)c2cc3c(s2)CCCCC3)s1 1922954352 NGZPWNPYFUTDDJ-ZDUSSCGKSA-N 485.104 7.088 50 10 JKGE CC(C)C1([C@H](Br)c2c(Br)sc(Br)c2Cl)CC1 1923038691 JZZHWMPJDPPDCO-MRVPVSSYSA-N 451.449 6.799 50 10 JKGE COc1cc([C@@H](Br)c2csnc2Br)c(OC)cc1Br 1925256174 HVZVRCRYBCKCIV-LLVKDONJSA-N 471.996 5.170 50 10 JKGE Clc1sc([C@H](Br)Cc2ncccc2Br)cc1Br 2004901861 DXHGVQHNNBXVEF-SSDOTTSWSA-N 460.416 6.000 50 10 JKGE Clc1nc(Cl)n(-c2ccc(Br)cc2Br)c1CBr 2006647425 IHERTGOARNPALB-UHFFFAOYSA-N 463.782 5.599 50 10 JKGE C[C@H](C[C@H]1CCCCN1C(=O)OC(C)(C)C)NCCSSCCNC(=O)OC(C)(C)C 2010827112 MFAGPMYPSYQLES-QZTJIDSGSA-N 477.737 5.050 50 10 JKGE CCCC1([C@@H](Cl)c2c(Br)sc(Br)c2Br)CCC1 2015637519 JPGUMGYJIREYEZ-VIFPVBQESA-N 465.476 7.286 50 10 JKGE CC(C)CC(CBr)(CBr)Cc1ccc(Cl)c(Br)c1 2047990351 MLHZPIONGJXTDR-UHFFFAOYSA-N 461.463 6.467 50 10 JKGE COc1sc([C@@H](Cl)c2cc(I)ccc2F)cc1Br 2050462251 BIEJMTXQYXPDMQ-NSHDSACASA-N 461.521 5.591 50 10 JKGE CCOc1ccc([C@H](Cl)c2cc(I)ccc2Br)s1 2086383793 DQVGQFRHGUSPDX-CYBMUJFWSA-N 457.558 5.842 50 10 JKGE O=C(c1cc(Br)c(Br)s1)N1CC[C@@H]2C[C@@H](Br)CC[C@H]21 2087664735 RHRQHXQABUEUDV-KHQFGBGNSA-N 472.040 5.051 50 10 JKGE Cc1cc(Br)c(C)c([C@H](Br)[C@@H]2CCO[C@@H](C)C2)c1Br 2136379661 MTTLFNBAOPDXBK-ZVWUFJHRSA-N 455.028 6.080 50 10 JKGE Cc1cc(Br)c(C)c([C@H](Br)[C@]2(C)CCCCO2)c1Br 2136383555 ZBIRAAWGMUXDAB-GJZGRUSLSA-N 455.028 6.224 50 10 JKGE Cc1c(Br)ccc([C@@H](Br)[C@H]2CCCCC2(C)C)c1Br 2138848302 AKQHZQYYEJYKKL-IUODEOHRSA-N 453.056 7.172 50 10 JKGE FC1(F)[C@H]2C[C@@H]([C@@H](Br)c3ccc(Br)cc3Br)CC[C@H]21 2138866987 QSTLUNOGAHISEB-LXOIKGMDSA-N 458.966 6.329 50 10 JKGE Cc1c(Br)ccc([C@H](Br)C23CCOC(C)(C2)C3)c1Br 2138872336 RRDMYQVXLQJHMA-NFOMZHRRSA-N 453.012 5.915 50 10 JKGE CCCOc1ccc([C@@H](Br)c2cc(C)sc2Br)cc1Br 2157250105 ZXYMKJIGGUUPRO-CQSZACIVSA-N 483.063 6.855 50 10 JKGE Cc1nc([C@@H](Br)c2cc(Br)c3c(c2)CCCO3)c(Br)s1 2169495755 PDULSPRBIYKIEJ-NSHDSACASA-N 482.035 5.786 50 10 JKGE Cc1cc(Br)c([C@@H](Br)C(F)(F)C2CCCCC2)cc1Br 2185258699 YEMPNGKGHHQHRV-CQSZACIVSA-N 475.009 7.172 50 10 JKGE CC1(C)CCC[C@@H](CO[C@H](CI)c2ccccc2Br)O1 2185558424 ARLLLELJSUDFHW-SWLSCSKDSA-N 453.158 5.290 50 10 JKGE Brc1cccc([C@@H](CI)O[C@H]2CCOC3(CCC3)C2)c1 2197370595 VLWJPACRCVESHV-LSDHHAIUSA-N 451.142 5.044 50 10 JKGE CCn1cc(Br)c([C@H](Br)c2cc(Br)c(OC)cc2Cl)n1 2202352740 NPSFSLNIFVDQCG-GFCCVEGCSA-N 487.417 5.574 50 10 JKGE COc1cc(Cl)c([C@H](Br)Cc2ccccc2Br)cc1Br 2202355743 DWZFFPYTGSJAGP-GFCCVEGCSA-N 483.425 6.552 50 10 JKGE Cc1c(Br)ccc([C@H](Br)[C@@H]2CC[C@]3(C2)CC3(F)F)c1Br 2203687318 WUWKUWUAZRUQBO-FZQKWOKYSA-N 472.993 6.782 50 10 JKGE CC[C@H](C(C)C)[C@H](Cl)c1sc(Br)c(Br)c1Br 2212190419 XKDBHRXBLLIKDC-MUWHJKNJSA-N 453.465 6.998 50 10 JKGE CC(C)[C@@H](CBr)N(Cc1ccccc1)S(=O)(=O)Cc1ccsc1Br 2213761333 UUMWOMGEDZLKHY-MRXNPFEDSA-N 495.302 5.262 50 10 JKGE Cc1sc([C@@H](Br)c2cc(Br)c(Cl)cc2F)cc1Br 2218969274 OFJJQVCUINYSPC-LBPRGKRZSA-N 477.418 6.858 50 10 JKGE Cc1nc([C@@H](Cl)c2c(Br)cc(Cl)c(Cl)c2Cl)c(Br)s1 2224307669 PAIHSUUPFAOPGM-VIFPVBQESA-N 484.855 7.265 50 10 JKGE Cc1cc([C@H](Br)c2c(Br)cc(C)c(Cl)c2C)c(Br)s1 2224312083 OTCCDWFYDGAEOM-LBPRGKRZSA-N 487.482 7.336 50 10 JKGE Fc1cc(Br)c(Br)cc1[C@H](Br)C1[C@@H]2CCCCC[C@@H]12 2225614989 BMHJFDYXWQMBHP-XWRVAKJBSA-N 455.003 6.613 50 10 JKGE CCC[C@H](CC(C)C)[C@H](Br)c1cc(Br)c(Br)cc1F 2225633464 JYMJMASPDFYGBI-BMIGLBTASA-N 459.035 7.249 50 10 JKGE Cc1cc(Br)c(C)c([C@H](Br)[C@@H]2CCC[C@@H](C)O2)c1Br 2226869408 WSRFJVYKMOJASE-MURWCNHISA-N 455.028 6.222 50 10 JKGE Cc1cc(Br)c([C@H](Br)COCC(F)(F)F)c(C)c1Br 2227353899 VALIKOQLLGRAIL-SECBINFHSA-N 468.933 5.843 50 10 JKGE CC12CC([C@H](Br)c3c(Br)cc(Cl)c(Cl)c3Cl)(CCO1)C2 2232511279 JQPFNJDCZWIMTP-IYXRBSQSSA-N 463.424 6.805 50 10 JKGE CC(C)(C)O[C@H]1C[C@@H]([C@H](Br)c2cc(Br)c(Br)cc2F)C1 2233981054 CTDLAEPXJJELPN-QIBSRJKCSA-N 473.018 6.380 50 10 JKGE Cc1cc(Br)c([C@H](Cl)c2ccc(Br)c(F)c2)c(C)c1Br 2235602779 FGMLUAIZJONGSK-OAHLLOKOSA-N 485.416 7.058 50 10 JKGE COc1ccc([C@@H](Br)c2c(Br)cc(C)c(Br)c2C)cc1 2235603117 HLMFYUPBXUJSKZ-MRXNPFEDSA-N 463.007 6.321 50 10 JKGE COc1ccc([C@@H](Br)c2sccc2Br)c(Br)c1Cl 2256324386 ALYJRFBZFOYTHV-SNVBAGLBSA-N 475.427 6.419 50 10 JKGE CC(C)(C)OC(=O)N1CCC(CBr)(OCc2cc(Br)ccc2Cl)CC1 2263389228 KQNFUASJENJJFP-UHFFFAOYSA-N 497.655 5.784 50 10 JKGE Cn1cc([C@H](Br)c2cc3sc(Br)cc3s2)nc1Br 2263557755 BUGNNJLRECUIFO-JTQLQIEISA-N 471.037 5.706 50 10 JKGE COc1cc(C)c(Br)c(C)c1[C@@H](Cl)c1cscc1OCc1ccccc1 2269599274 VSRCZKOSEYWAGQ-NRFANRHFSA-N 451.813 7.043 50 10 JKGE COc1cc(Cl)c(Cl)cc1[C@@H](Br)c1cc(I)ccc1F 2279052693 PVPXEQYKALLTNU-AWEZNQCLSA-N 489.937 6.230 50 10 JKGE COc1cc(Cl)c(Cl)cc1[C@@H](Br)c1cccc(F)c1I 2279057366 YBDUNORACTVEQH-ZDUSSCGKSA-N 489.937 6.230 50 10 JKGE Cc1cc(C=C(C#N)C(=O)Nc2cccc(Br)c2)c(C)n1-c1ccccc1C(=O)O 2294187369 GCKIVEKGZIRZTE-UHFFFAOYSA-N 464.319 5.101 50 10 JKGE COc1cc(OC)c([C@H](Cl)c2ccc(I)cc2)cc1Br 2295425342 FUEJSQDEGPOGFU-OAHLLOKOSA-N 467.528 5.399 50 10 JKGE N#CC(=Cc1ccc(COc2ccc(C#N)cc2)o1)C(=O)Nc1cc(C(F)(F)F)ccc1Cl 2295631729 NRAUZTCXZWKXBC-UHFFFAOYSA-N 471.822 5.948 50 10 JKGE CCCOc1ccccc1C=C(C#N)C(=O)Nc1scc(-c2ccccc2)c1C(=O)OCC 2296500555 YTHNPCTYVQXKIP-UHFFFAOYSA-N 460.555 5.926 50 10 JKGE Cc1cccc(NC(=O)C(C#N)=C2S[C@@H](Cc3ccccc3)C(=O)N2c2ccccc2)c1C 2296507215 YSMPWSBYHXXMKD-DEOSSOPVSA-N 453.567 5.368 50 10 JKGE CCCCCCCCC=CCCCCCCCC(=O)O[C@H](COC(C)C)CO[P@@](C)(=O)F 2297719598 ZLEFMXNNQCABDB-GPNASLBKSA-N 478.626 8.170 50 10 JKGE CC(C)([C@@H](Br)c1cc(Br)ccc1OCc1ccccc1)C(F)(F)F 2299500537 GSKGFRPFNRMJFK-INIZCTEOSA-N 466.135 7.053 50 10 JKGE CCc1nc([C@H](Cl)c2sc(Cl)cc2I)c(Br)s1 2300954798 CDKRXMKFZRXYJY-ZETCQYMHSA-N 483.021 6.116 50 10 JKGE Cc1ccc(C)c(NC(=O)C(C#N)=Cc2ccc(OCc3ccc(Br)cc3)cc2)c1 2313511012 ISBLXNHITZHKOG-UHFFFAOYSA-N 461.359 6.191 50 10 JKGE C#CCOc1c(CC=C)cc(C=C(C#N)C(=O)Nc2cccc(Cl)c2Cl)cc1OCC 2313571586 ZUMHDVQLYKZFOM-UHFFFAOYSA-N 455.341 5.678 50 10 JKGE COc1cccc(C=C(C#N)C(=O)Nc2cccc(Cl)c2)c1OCc1ccc(Br)cc1 2313630465 AHZFASBDCNMWBC-UHFFFAOYSA-N 497.776 6.236 50 10 JKGE CC(C)c1ccc(NC(=O)C(C#N)=Cc2ccc(-c3cc(C(F)(F)F)ccc3Cl)o2)cc1 2314490030 VOABIACZGNGQSO-UHFFFAOYSA-N 458.867 7.288 50 10 JKGE CCCCCOc1ccc(C=C2C(=O)N(CCc3ccccc3)C(=O)C(C#N)=C2C)cc1OC 2314617252 UTLWDDSBHBAQOC-UHFFFAOYSA-N 458.558 5.099 50 10 JKGE CCOc1ccc(C=C(C#N)C(=O)Nc2scc(-c3ccc(CC)cc3)c2C(=O)OC)cc1OC 2314759314 BBRALTVYJRNIQK-UHFFFAOYSA-N 490.581 5.717 50 10 JKGE CCN(C[C@@](C)(CBr)OCc1cccc(Cl)c1Cl)C(=O)OC(C)(C)C 2317190440 SBWVYLRXIIMYHH-GOSISDBHSA-N 455.220 5.921 50 10 JKGE BrCc1c(Br)cccc1OCc1cccc(I)c1 2319172957 CLOYBJJDGINSNS-UHFFFAOYSA-N 481.953 5.528 50 10 JKGE N#CSc1ccc(NC(=O)C2CCN(C(=O)C=Cc3ccc(Cl)cc3Cl)CC2)cc1 2321883891 FTZCPMJVHYHEME-UHFFFAOYSA-N 460.386 5.457 50 10 JKGE N#CC(=CN1CCN(C(c2ccccc2)c2ccccc2)CC1)C(=O)Nc1ccc(Cl)c(Cl)c1 2324262374 BLMXUJBGKMSZKM-UHFFFAOYSA-N 491.422 5.747 50 10 JKGE CC(=Cc1cccc(Cl)c1)C(=O)N[C@@H](C(=O)Nc1ccc(SC#N)cc1)c1ccccc1 2330518049 XRWJTKJMMDILEF-HSZRJFAPSA-N 461.974 5.813 50 10 JKGE N#CC(=C(O)c1ccc(N2C(=O)c3ccccc3C2=O)cc1)c1nc(-c2ccc3ccccc3c2)cs1 2331237804 GMMSZCZQQSVVNJ-UHFFFAOYSA-N 499.551 6.714 50 10 JKGE CCCCC1CCC(C(O)=C(C#N)c2nc(-c3ccc(OCCC)c(OCCC)c3)cs2)CC1 2331293476 POJLFAZLPXKNBM-UHFFFAOYSA-N 482.690 8.177 50 10 JKGE Cc1ccc(C)c(-c2csc(C(C#N)=C(O)[C@@H](CC(C)C)N3C(=O)c4ccccc4C3=O)n2)c1 2331319702 ZDNBGDYFQYEFSD-HSZRJFAPSA-N 471.582 5.931 50 10 JKGE COc1ccc(C(C)(C)C)cc1-c1csc(C(C#N)=C(O)c2cc([N+](=O)[O-])cc([N+](=O)[O-])c2)n1 2331351068 OPVZRGPOABPPDV-UHFFFAOYSA-N 480.502 5.882 50 10 JKGE COc1ccc(C=CC(O)=C(C#N)c2nc(-c3ccc(Oc4ccccc4)cc3)cs2)cc1OC 2331358731 HXGXCDVGVBRMMC-UHFFFAOYSA-N 482.561 7.126 50 10 JKGE COc1cc(Cl)c(C)cc1-c1csc(C(C#N)=C(O)C=Cc2cc(OC)c(OC)c(OC)c2)n1 2331390388 FZVHEFWOJZEKIC-UHFFFAOYSA-N 498.988 6.312 50 10 JKGE COc1cc(Br)cc(C=C(C#N)c2nc(-c3ccc(-c4ccccc4)cc3)cs2)c1O 2331414227 PMTIKPYADAAPAT-UHFFFAOYSA-N 489.394 7.018 50 10 JKGE COc1cccc(-c2csc(C(C#N)=Cc3ccc(OCc4ccc(C)cc4)c(OC)c3)n2)c1 2331421409 NEROLKNMDGTSFW-UHFFFAOYSA-N 468.578 6.779 50 10 JKGE Fc1cc(C[C@@H](Br)c2ccc(OCc3ccccc3)cc2Br)ccc1Cl 2336046686 GJKXRFXQYNYNIY-GOSISDBHSA-N 498.617 7.499 50 10 JKGE FC1(F)[C@@H]2CC(CBr)(Cc3ccc(Cl)c(I)c3)C[C@H]21 2337222857 DTPKGZWFTMRYAJ-NXEZZACHSA-N 461.515 5.544 50 10 JKGE COc1c(Br)cc(C)c([C@H](Br)C(C)(C)C2CC2)c1Br 2339690200 HQEVWIHYMIEJEF-AWEZNQCLSA-N 455.028 6.401 50 10 JKGE C=CC[C@]1(CBr)CCN(Cc2ccc(I)c(Br)c2)C1 2349828482 LKOADJJUSKWQEE-OAHLLOKOSA-N 499.028 5.217 50 10 JKGE Fc1cc(Cl)c(Br)c(Cl)c1[C@@H](Br)c1c(Cl)cccc1Cl 2360491515 GWZZZUGFCLBFFB-LBPRGKRZSA-N 481.801 7.686 50 10 JKGE Brc1ccc(OCc2ccccc2)c([C@@H](Br)[C@H]2CCc3ccccc3C2)c1 2361206588 LNDKMRMGTJHXSV-RDPSFJRHSA-N 486.247 7.269 50 10 JKGE O=C(c1cc(Br)sc1Br)N1CC[C@H](Br)C[C@H]1C(F)(F)F 2361465111 VMLVEKUBJLWHNS-FSPLSTOPSA-N 499.972 5.204 50 10 JKGE Fc1ccc(Cl)cc1[C@H](Cl)c1c(Cl)cc(Br)c(F)c1Br 2362241462 XJWVFBLPJXQEPE-LBPRGKRZSA-N 465.346 7.125 50 10 JKGE CCCCO[C@@H]1[C@H](Br)C[C@H]1OCc1ccc(Cl)cc1I 2365647804 NLGQKUDPDCNAQH-BPLDGKMQSA-N 473.576 5.182 50 10 JKGE CN(CC[C@H](Cl)c1cccs1)C(=O)c1csc(Br)c1Br 2365969908 HXCDWJUCZWBVBX-VIFPVBQESA-N 457.640 5.777 50 10 JKGE CC(C)[C@H](Br)C(C)(C)CN(C)Cc1ccc(I)c(Cl)c1 2365995483 VHWKMDGROPIFRQ-HNNXBMFYSA-N 472.636 5.822 50 10 JKGE CCCCO[C@@H]1[C@H](Cl)C[C@H]1OCc1ccc(I)c(Br)c1 2377617061 XOBPSKZFLGYCTD-BPLDGKMQSA-N 473.576 5.135 50 10 JKGE CCCc1sc(Br)cc1[C@H](Br)c1c(Cl)cc(C)cc1Cl 2381301121 FLHMTWQOQFPNKK-HNNXBMFYSA-N 457.058 7.563 50 10 JKGE CCOc1cc(/C=C(\C#N)c2ccc(C(=O)O)cc2)cc(Cl)c1OCc1cccc([N+](=O)[O-])c1 2885133 LJABDBZCYXUACF-KEBDBYFISA-N 478.888 5.988 50 10 JKGE CC[C@@H](C)c1ccc(-c2cc(C(=O)NN=Cc3ccc4c(c3)OCO4)c3ccccc3n2)cc1 11363925 ZTBHSOMNUZXTNB-GOSISDBHSA-N 451.526 5.908 50 10 JKGE CCOC(=O)c1sc(NC(=O)/C(C#N)=C\c2ccc(C(C)C)cc2)c(C(=O)OCC)c1C 33283761 HNHAQWUJSFTNRR-PDGQHHTCSA-N 454.548 5.079 50 10 JKGE Cc1ccccc1NC(=O)/C(C#N)=C1/S[C@@H](Cc2ccc(F)cc2)C(=O)N1c1ccccc1 33445464 ZMEZSCFCYVUKLR-CTHAODRQSA-N 457.530 5.199 50 10 JKGE Cc1nc(-c2cccc(F)c2)nc(N2CCN(C(=O)C(C)(C)CCl)CC2)c1Cc1ccccc1 35890418 QUFZBCXQUHMEJJ-UHFFFAOYSA-N 481.015 5.096 50 10 JKGE Cc1cccc(C)c1OCC(=O)Oc1ccc2c(c1)OC(N)=C(C#N)[C@H]2c1ccc(C(C)(C)C)cc1 38649774 FOYIAOBBXUPTCS-MHZLTWQESA-N 482.580 5.804 50 10 JKGE CCCCC1CCC(C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@@H]3c2ccc(OC)cc2OC)CC1 38688465 UYYZACRYDAKZTA-AVEQNKPZSA-N 490.600 5.824 50 10 JKGE Cc1ccccc1NC(=O)/C(C#N)=C\c1c(Oc2ccccc2Cl)nc2c(C)cccn2c1=O 39858679 ZFBSKDQCRBIGID-JXAWBTAJSA-N 470.916 5.303 50 10 JKGE Cc1ccc(C)c(NC(=S)NNC(=O)c2ccc(-c3cc(C(F)(F)F)ccc3Cl)o2)c1 39892569 QREIZISZAUMLGA-UHFFFAOYSA-N 467.900 5.867 50 10 JKGE CCCCCOc1ccc(/C=N/NC(=O)COc2ccc(C(C)(C)c3ccccc3)cc2)cc1OC 40866568 MNYNAWAZQWCAJD-NJZRLIGZSA-N 488.628 6.119 50 10 JKGE CCCCn1cc(/C=C(/C#N)C(=O)Nc2sc3c(c2C(=O)OCC)CCCC3)c2ccccc21 59116660 UQBCFTBLCKZEGX-SDXDJHTJSA-N 475.614 6.104 50 10 JKGE O=C(N/N=C1\C(=O)N(Cc2c(Cl)cccc2Cl)c2ccccc21)c1ccc(Cl)cc1Cl 59471809 MARAQBTUGWPEBA-OOAXWGSJSA-N 493.177 5.981 50 10 JKGE O=C(NC1CCCCCC1)[C@@H](c1ccc(Cl)cc1)N(CCc1ccccc1)C(=O)CCl 97914858 DWELUMCQAXUBAW-XMMPIXPASA-N 461.433 5.530 50 10 JKGE CCOc1cc(/C=C(/C#N)C(=O)NCc2ccco2)ccc1OCCOc1ccc([C@@H](C)CC)cc1 101413477 NGICOQBISPYQOT-HLJDWQABSA-N 488.584 5.873 50 10 JKGE Clc1ccc(C[C@@H](Br)c2cc(Br)ccc2Br)cc1 104032032 MADUOPJACPKGPA-CQSZACIVSA-N 453.399 6.544 50 10 JKGE Brc1cc([C@H](Br)c2ccc3c(c2)CCC3)c(Br)s1 109869952 IWIMEBXGSVGSQN-CYBMUJFWSA-N 451.021 6.246 50 10 JKGE COc1cc(Br)c([C@H](Br)c2sccc2Br)cc1OC 111536416 UCMHFGOHCFSSIK-LBPRGKRZSA-N 471.008 5.775 50 10 JKGE Cc1cc(Br)c([C@@H](Cl)c2cc(Br)ccc2Cl)cc1Br 128656954 NBSBFAJWMNTSNT-CQSZACIVSA-N 487.844 7.264 50 10 JKGE Fc1cc(Cl)ccc1CC(CBr)(CBr)c1ccc(Br)cc1 164855931 ITGLENFNUZZSKL-UHFFFAOYSA-N 499.443 6.512 50 10 JKGE CCOC(=O)/C(C#N)=C\c1ccc(OC(=O)CCCOc2ccc(C(C)(C)CC)cc2)c(OCC)c1 207297588 AMQJGLZCAIVOKT-PYCFMQQDSA-N 493.600 6.008 50 10 JKGE BrCc1c(Oc2ccc(Br)cc2Br)nc2sccn12 218321879 BXGOTJCUAZRMGC-UHFFFAOYSA-N 466.980 5.608 50 10 JKGE BrCc1ccc(Oc2ccc(Br)cc2Br)c(Br)c1 232486922 UZDKGOQOZVWEIA-UHFFFAOYSA-N 499.822 6.661 50 10 JKGE COc1cc(F)c(Br)cc1[C@H](Br)c1ccc(F)cc1Br 234915196 QVYYNBIHQRTPQZ-CQSZACIVSA-N 470.933 5.983 50 10 JKGE Clc1ccc(Cl)c([C@H](Br)c2cc(Br)cc(Br)c2)c1 236060872 BEPLBZCUIUNFHT-CYBMUJFWSA-N 473.817 7.003 50 10 JKGE Cc1cc(C=NNC(=O)CN2C(=O)c3cccc4cccc2c34)c(C)n1-c1ccccc1Cl 254906204 QNKXKOQMYCBHLZ-UHFFFAOYSA-N 456.933 5.011 50 10 JKGE ClCc1nc2cc(I)ccc2n1[C@@H]1CCCN(Cc2ccccc2)C1 310522506 BYSOTNOJCRWPDK-QGZVFWFLSA-N 465.766 5.217 50 10 JKGE Fc1cc2c(cc1I)nc(CCl)n2[C@@H]1CCCN(Cc2ccccc2)C1 311251385 AXVJSWFWRLPMHN-OAHLLOKOSA-N 483.756 5.356 50 10 JKGE COc1cc([C@@H](Br)c2cc(Br)c(Br)s2)cc(OC)c1C 313061069 UFIZFFNOJYWWKV-CYBMUJFWSA-N 485.035 6.083 50 10 JKGE C[C@@H]1C[C@@H](n2c(CCCl)nc3cc(I)ccc32)CCN1Cc1ccccc1 379612800 VMFNPCKSULMETF-APWZRJJASA-N 493.820 5.648 50 10 JKGE CC1(C)C(=O)Nc2ccc([C@@H](Br)c3sccc3I)cc21 380752975 WANWMDVIMMAWDF-GFCCVEGCSA-N 462.150 5.067 50 10 JKGE Cc1cc([C@@H]2CN(C(=O)OC(C)(C)C)C[C@@H]2CI)ccc1Br 382725741 QDVDRVFBTBYBLH-KBPBESRZSA-N 480.184 5.143 50 10 JKGE BrCc1cc(Br)cc(Br)c1OC[C@@H]1CC2CCC1CC2 691771058 HEKRIWBUUFELBE-XIVSLSHWSA-N 467.039 6.312 50 10 JKGE Cc1cnc2c(c1)nc([C@@H](C)Cl)n2CC1(N(Cc2ccccc2)Cc2ccccc2)COC1 705783329 MZWNBOPJEDLFDP-OAQYLSRUSA-N 461.009 5.511 50 10 JKGE C[C@H]1CCN(Cc2ccccc2)C[C@H]1n1c(CCl)nc2cc(Br)c(F)cc21 716304424 ZFZCKAQJLVJMML-VBKZILBWSA-N 450.783 5.760 50 10 JKGE BrCC(CBr)(Cc1sncc1Br)c1ccccc1 719873912 SSLITFRJDVWISU-UHFFFAOYSA-N 454.025 5.176 50 10 JKGE O=C(Nc1ccc(CCCl)cc1)c1ccc(I)c(Br)c1 721570633 ALZVBUZHXQKICZ-UHFFFAOYSA-N 464.528 5.087 50 10 JKGE Cl[C@@H](c1ccc(I)c(Br)c1)c1ccc2c(c1)CCCC2 721608099 DNTBENQVHABGDK-QGZVFWFLSA-N 461.568 6.261 50 10 JKGE Cc1cc([C@@H](Cl)c2cccc(F)c2I)c(C)cc1Br 721684220 ODSDSYZWZVOMDA-AWEZNQCLSA-N 453.520 6.138 50 10 JKGE Cc1sc([C@@H](Br)c2ccc(Cl)c(Br)c2)c(C)c1Br 724907661 AZQOWMMABABXOV-LBPRGKRZSA-N 473.455 7.028 50 10 JKGE CC(=NNC(=O)COc1ccc2ccccc2c1Br)c1ccc(-c2ccccc2)cc1 1083904690 FZMHUPTYQPYMSV-UHFFFAOYSA-N 473.370 6.189 50 10 JKGE Cc1ccc(-n2c(C)c(Br)c(C=NNC(=O)[C@@H](C)Sc3ccccc3)c2C)cc1C 1084178966 AQXIKFCBZLPKFM-LJQANCHMSA-N 484.463 6.104 50 10 JKGE COc1ccc(NC(=O)/C(C#N)=C\c2ccc(OC(=O)c3ccc(Cl)cc3Cl)cc2)cc1 1084249788 YYKHXCUAUOAQRO-VBKFSLOCSA-N 467.308 5.767 50 10 JKGE COc1ccc(/C(C#N)=C/c2cccc(OC(=O)/C=C/c3ccc(OCc4ccccc4)cc3)c2)cc1 1615066522 GPWNXVNIPHFTRF-GGIKUTQTSA-N 487.555 6.957 50 10 JKGE Cc1cc(C)c2c(CC(=O)NN=C3CCCc4oc(C(=O)Nc5cccc(C)n5)c(C)c43)coc2c1 1772751934 KACYPEYCKXBLDB-UHFFFAOYSA-N 484.556 5.306 50 10 JKGE C[C@H](Oc1cccnc1NC(=O)Nc1ccc(SC#N)cc1)C(=O)Nc1ccc(Cl)cc1 1858840772 VGAJZLDIRDGBDM-AWEZNQCLSA-N 467.938 5.358 50 10 JKGE COc1cccc([C@H]2C(C#N)=C(N)Oc3c2c(C(F)(F)F)nn3-c2ccc(Cl)c(Cl)c2)c1O 1865684754 XKRKTLCHMFNQPL-HNNXBMFYSA-N 497.260 5.130 50 10 JKGE Cc1ccc(COc2ccc([C@H]3C(C#N)=C(N)Oc4c3c(C)nn4Cc3ccc(Cl)cc3)cc2)cc1 1865692191 BWXFTJIQCDVZSD-MHZLTWQESA-N 496.998 5.999 50 10 JKGE CCCc1nn(Cc2cccc(Cl)c2)c2c1[C@@H](c1cccc(OC)c1OCC)C(C#N)=C(N)O2 1865693533 OWPCDLDETCXQGJ-QFIPXVFZSA-N 478.980 5.163 50 10 JKGE CCOc1c(OC)cccc1[C@H]1C(C#N)=C(N)Oc2c1c(C(F)(F)F)nn2-c1ccccc1Cl 1865693861 RGVVBIXHGYJTNL-KRWDZBQOSA-N 490.869 5.170 50 10 JKGE Cc1nc(-c2ccc(Cl)cc2)ccc1C(=O)NNC(=O)C(c1ccccc1)c1ccccc1 1865755534 DJLJTCIUGLAJBU-UHFFFAOYSA-N 455.945 5.304 50 10 JKGE CCOC(=O)c1cc(-c2ccccc2)sc1NC(=O)/C(C#N)=C/c1ccc(Br)cc1 1866129296 MIGYOXSKEAFXOL-SFQUDFHCSA-N 481.371 5.900 50 10 JKGE CCCC[C@@H](NC(=O)[C@H](C)c1ccc(Br)cc1)C(=O)Nc1ccc(SC#N)cc1 1866946567 QLWXHTCQIVZVMZ-FOIQADDNSA-N 474.424 5.439 50 10 JKGE CSCC[C@H](NC(=O)C[C@@H](CC(C)C)c1ccc(F)cc1)C(=O)Nc1ccc(SC#N)cc1 1867109064 LJLKIHSAIYBDEC-XXBNENTESA-N 487.666 5.795 50 10 JKGE CC(C)c1nc(Nc2ccc(SC#N)cc2)cc(N2CCC(C(=O)c3c[nH]c4ccccc34)CC2)n1 1868231549 KHGGKHURXLJXCX-UHFFFAOYSA-N 496.640 6.497 50 10 JKGE CCOc1ccc(OCC)c(-c2csc(/C(C#N)=C(O)/C=C/c3cccc(Cl)c3)n2)c1 1872754848 LVVSCUPKEBSSMO-NEUFDEOWSA-N 452.963 6.767 50 10 JKGE CCOC(=O)Oc1ccc(/C(O)=C(\C#N)c2nc(-c3cc(Cl)c(OC)c(Cl)c3)cs2)cc1 1872756213 UVFIOLDLAANVLF-CYVLTUHYSA-N 491.352 6.611 50 10 JKGE COc1ccc(-c2csc(/C(C#N)=C(\O)c3cccc(Oc4ccccc4)c3)n2)cc1Cl 1872757564 LUMXWTKLLNDNCH-GFMRDNFCSA-N 460.942 7.214 50 10 JKGE COc1ccc(-c2csc(/C(C#N)=C/c3c(OCc4ccccc4)ccc4ccccc34)n2)cc1F 1872792429 YPZBMXAZSZWRKP-HZHRSRAPSA-N 492.575 7.754 50 10 JKGE N#C/C(=C\c1ccc(Cl)c([N+](=O)[O-])c1)c1nc(-c2ccc(Oc3ccccc3)cc2)cs1 1872793013 CYLYVLMVEHYCJD-LDADJPATSA-N 459.914 7.228 50 10 JKGE CC(C)(C)OC(=O)NCCCCCC(=O)N/N=C/c1cccc(OCc2ccc(Cl)cc2)c1 1873795196 BKYFCRWLMKSHKT-OGLMXYFKSA-N 474.001 5.454 50 10 JKGE BrC[C@H]1CC2(CCCC2)CN1c1ncc(Br)cc1Br 1912780812 WYYZFQHETTTZHL-LLVKDONJSA-N 453.016 5.141 50 10 JKGE CC[C@H](Br)CN(Cc1ccccc1)S(=O)(=O)c1ccc(Cl)c(F)c1Cl 1915077438 IGHGVKAPYTXILL-ZDUSSCGKSA-N 469.203 5.497 50 10 JKGE Cc1cc(C(=O)N(Cc2ccccc2)[C@@H](CBr)C2CC2)ccc1Br 1915275833 HYUOQYUAYVWPAA-IBGZPJMESA-N 451.202 5.573 50 10 JKGE Cc1c(Br)sc([C@H](Br)[C@H](CC(C)C)C(C)C)c1Br 1922929004 FBWLOUYQIQRXAY-ZYHUDNBSSA-N 461.101 7.336 50 10 JKGE COc1ccsc1[C@H](Br)c1c(Br)sc(Br)c1Cl 1923047180 AWZYLFHXNYNKQF-ZCFIWIBFSA-N 481.456 6.481 50 10 JKGE CC[C@@H](C(C)C)[C@H](Br)c1c(Br)sc(Br)c1Cl 1923066561 QYYRGDBHVKGQSI-XPUUQOCRSA-N 453.465 7.045 50 10 JKGE C[C@@H](c1ccncc1Br)[C@@H](Br)c1cccc(F)c1Br 1924037714 BITFERLOWULKJC-ISVAXAHUSA-N 451.959 5.985 50 10 JKGE C[C@H](c1ccncc1Br)[C@H](Br)c1cccc(Br)c1F 1924038856 HYJPUICBHIVJOO-OQPBUACISA-N 451.959 5.985 50 10 JKGE CC1(C)CC[C@H]([C@@H](Cl)c2c(Br)sc(Br)c2Br)C1 1924572575 ZYRRMOLZVZDHOV-IMTBSYHQSA-N 465.476 7.142 50 10 JKGE O=C(Nc1ccc(F)c(CBr)c1)c1cccc(Br)c1Br 1924856532 VGEOHZMMLFHUAH-UHFFFAOYSA-N 465.942 5.498 50 10 JKGE Cc1c(Br)sc([C@@H](Cl)c2cscc2OCc2ccccc2)c1Br 1939528953 QVBQRKZDVLCJJA-HNNXBMFYSA-N 492.685 7.550 50 10 JKGE C[C@@]1([C@H](Br)c2cc(Br)sc2Br)CCCC1(F)F 2002580607 CIAVJWNGKMNTSG-SCZZXKLOSA-N 452.984 6.535 50 10 JKGE CC(C)(C)OC(=O)N1CCC(CI)(OC2CC(C(C)(C)C)C2)CC1 2011639350 UPUSPQVQDUBEOG-UHFFFAOYSA-N 451.389 5.032 50 10 JKGE CCc1cc(Br)c([C@@H](Br)c2ccc(F)c(Br)c2)s1 2029232648 KPVVVFVFRMECFJ-LBPRGKRZSA-N 457.000 6.459 50 10 JKGE CCS(=O)(=O)c1ccc(-c2nn(-c3ccccc3)cc2C=C(C#N)c2nc3ccccc3n2C)cc1 2040582362 XGZOYEAQIWWCLE-UHFFFAOYSA-N 493.592 5.284 50 10 JKGE Brc1cc(Br)c([C@@H](Br)c2cc3ncccc3s2)s1 2046387707 CNMSTQQSTQLLEX-NSHDSACASA-N 468.033 6.367 50 10 JKGE CN(Cc1ccccc1)[C@@H]1CCCCN(c2cccc(Br)c2CBr)C1 2050045762 DGNXGKZJYZXYGO-GOSISDBHSA-N 466.261 5.835 50 10 JKGE CCc1cc(Br)c([C@@H](Br)c2c(Cl)cccc2Br)s1 2050319160 VMMVFXPRCYCHCD-LBPRGKRZSA-N 473.455 6.973 50 10 JKGE CC(C)(C)OC(=O)N1CCC[C@](CBr)(OCc2cc(Cl)cc(Cl)c2)C1 2077243277 WDHCDBCBLZIHOC-GOSISDBHSA-N 453.204 5.675 50 10 JKGE COc1cc(C)c([C@H](Br)c2sccc2Br)cc1Br 2078003976 SMMYOFVRPQWNOP-LBPRGKRZSA-N 455.009 6.074 50 10 JKGE COc1c(C)cc(Br)cc1[C@H](Br)c1cscc1Br 2085628772 TVSBFERKBVUJKK-LBPRGKRZSA-N 455.009 6.074 50 10 JKGE Brc1ccc(Br)c([C@@H](Br)c2ccc(CC3CC3)s2)c1 2087639091 ARMGAYMIJRCEHB-OAHLLOKOSA-N 465.048 6.710 50 10 JKGE CCC(F)(F)CCC(CBr)(CBr)c1ccccc1Br 2097128533 NIYAUKQWDUQSHC-UHFFFAOYSA-N 462.998 6.302 50 10 JKGE CN(C[C@@H]1CCCN(Cc2ccccc2)C1)c1c(CCl)ccc(Br)c1Cl 2098116858 LCHOQXWEAFKSRL-KRWDZBQOSA-N 456.255 6.190 50 10 JKGE Fc1c(CC(CBr)(CBr)C2CCC2)ccc(Cl)c1Br 2110529320 UMPCYWBAQYSBPE-UHFFFAOYSA-N 477.437 6.360 50 10 JKGE Fc1c(Br)ccc(Cl)c1C[C@H](Br)c1ccccc1Br 2122154541 VXDKUFQOXQKFEJ-LBPRGKRZSA-N 471.389 6.683 50 10 JKGE CC(C)(C)[C@@H]1[C@@H](Br)CCN1C(=O)c1csc(Br)c1Br 2128677758 CRPARLRXIBSJAZ-WPRPVWTQSA-N 474.056 5.297 50 10 JKGE O=C(c1csc(Br)c1Br)N1CC[C@@H](CBr)C12CCC2 2133813791 VZBRSJDUPYLJPM-QMMMGPOBSA-N 472.040 5.053 50 10 JKGE Fc1cc(Br)cc(OCc2ccc(Br)cc2)c1CBr 2135985140 WPVSHWJRAYHMJG-UHFFFAOYSA-N 452.943 5.825 50 10 JKGE C[C@H](Br)C[C@@H]1CCCCN1Cc1ccc(I)c(Cl)c1 2142942908 HSQFIBOBHGSFKM-AAEUAGOBSA-N 456.593 5.473 50 10 JKGE CC1CCC2(CC1)[C@H](Br)C[C@H]2Oc1c(Br)cccc1Br 2157076054 PDQHCTFEBAXHGK-HSMXMWKUSA-N 467.039 6.323 50 10 JKGE CCc1cc([C@@H](Br)c2cc(Br)ccc2Br)c(F)cc1F 2175372550 AIUNPNLWLFDWLI-HNNXBMFYSA-N 468.961 6.537 50 10 JKGE FC(F)(F)[C@@H]1OC2([C@H](Br)c3cc(Br)ccc3Br)CC1C2 2193094453 QXOYVESEQUBZQJ-CCSWITPUSA-N 478.928 5.758 50 10 JKGE Cc1cc(Br)c([C@H](Br)[C@@H]2C[C@@H]2C2CCOCC2)cc1Br 2200002144 RSEJTPAHSBYBHG-XHBSWPGZSA-N 467.039 6.019 50 10 JKGE Cc1cc(CBr)cc(C)c1OCc1ccc(I)c(Cl)c1 2208040317 RCDNRFXCESVISA-UHFFFAOYSA-N 465.556 6.035 50 10 JKGE ClCc1nc2cc(Br)c(Br)cc2n1[C@@H]1CC[C@@H]1OCc1ccccc1 2218660359 UTUWIBOHOGJRTF-AEFFLSMTSA-N 484.619 6.220 50 10 JKGE Cc1sc(Br)c(C)c1[C@@H](Br)c1cccc(F)c1Br 2218801942 ZXHVWRYZBXMMLF-LBPRGKRZSA-N 457.000 6.513 50 10 JKGE Fc1cc(F)c([C@H](Br)c2cscc2OCc2ccccc2)c(F)c1Br 2220496045 HITUILNUPXRKCE-MRXNPFEDSA-N 492.154 6.991 50 10 JKGE COc1ccc([C@@H](Br)c2c(Br)cc(Cl)c(Cl)c2Cl)s1 2224321093 KTKWCQBREPQSEA-SNVBAGLBSA-N 465.421 6.964 50 10 JKGE COc1ccc(Br)cc1[C@H](Cl)c1ccc(C)c(I)c1 2224622159 NQRAARMNSOVFQC-OAHLLOKOSA-N 451.529 5.699 50 10 JKGE Cc1ccccc1C(CBr)(CBr)Cc1nscc1Br 2227090796 DDSZHZWSBPIBAE-UHFFFAOYSA-N 468.052 5.484 50 10 JKGE Cc1cc(Br)c([C@H](Br)c2ccc(Cl)cc2)c(C)c1Br 2227349851 FDJWOPYUVZXZEX-OAHLLOKOSA-N 467.426 6.966 50 10 JKGE Clc1cc(Br)c([C@@H](Br)[C@@H]2CC[C@H]3C[C@H]3CC2)c(Cl)c1Cl 2232521461 TWVYAJQBNUMCQA-ZZIUEJKTSA-N 461.452 7.672 50 10 JKGE Fc1cc(Br)c(Br)cc1[C@@H](Br)c1ccc(C(F)(F)F)o1 2233973525 AWASLKCYROWNFK-LLVKDONJSA-N 480.875 6.447 50 10 JKGE O=[N+]([O-])c1ccc(C[C@H](Br)c2ccccc2I)c(F)c1 2237445619 HHZACIOUVMOHIU-LBPRGKRZSA-N 450.045 5.017 50 10 JKGE CCc1nn(C)c([C@@H](Br)c2ccc(Br)c(C)c2Br)c1Cl 2240932807 LHIWDYYKLBMJDM-LBPRGKRZSA-N 485.445 5.954 50 10 JKGE Brc1ccc(I)c([C@@H](Br)Cc2cnsc2)c1 2242938679 JDHCGJLASULCKL-JTQLQIEISA-N 472.971 5.189 50 10 JKGE COc1c([C@@H](Br)c2cc(Br)sc2Br)csc1C 2250060081 VGUQEMVIMPOZKG-VIFPVBQESA-N 461.038 6.136 50 10 JKGE Cc1cc(Br)c([C@@H](Br)c2cnn(C)c2Br)c(C)c1F 2264495588 UQEOCPAUHLZSED-NSHDSACASA-N 454.963 5.185 50 10 JKGE CCOc1ccc([C@H](Br)c2ccc(Cl)c(I)c2)cc1 2268274832 BJYWRNCTYPMXBW-HNNXBMFYSA-N 451.529 5.828 50 10 JKGE COc1c([C@@H](Br)[C@H]2C[C@@H](Br)C2)cc(Br)c2c1CCC2 2269170083 BZBKSUMCVYJNID-QIBSRJKCSA-N 453.012 5.556 50 10 JKGE Fc1cc(Br)c(F)c(Br)c1[C@H](Cl)c1ccc(Br)cc1 2272721406 HUYDCQKHLHYKPQ-GFCCVEGCSA-N 475.352 6.581 50 10 JKGE COc1c(Br)cc(Cl)c(C)c1[C@H](Br)c1nscc1Br 2277884658 KWEQCMWOWQSTOR-JTQLQIEISA-N 490.442 6.123 50 10 JKGE COc1c(Br)cc(Cl)c(C)c1[C@H](Br)c1cscc1Br 2277974716 MBQSXNFFLFEOPB-GFCCVEGCSA-N 489.454 6.728 50 10 JKGE Fc1cc([C@@H](Br)c2cc3sc(Br)cc3s2)ccc1Br 2278019692 JNZGEGKSEYGKLK-CYBMUJFWSA-N 485.035 7.111 50 10 JKGE COc1cc(OC)c([C@@H](Br)c2scc(Br)c2Cl)cc1Cl 2279288673 VBAKBPFWKNILPO-LLVKDONJSA-N 461.002 6.319 50 10 JKGE Brc1cccc(CN2C[C@H](Br)C[C@@H]3CCCC[C@H]32)c1Br 2279529208 LVWUTDJSUMKJMO-NJZAAPMLSA-N 466.055 5.740 50 10 JKGE Fc1cc([C@@H](Br)c2cc(C3CC3)c(Br)s2)c(F)cc1Br 2282090353 NUJNFAZXEQVRAI-CYBMUJFWSA-N 487.001 6.913 50 10 JKGE COc1ccc([C@H](Br)c2ccc(C)cc2Br)c(Br)c1Cl 2283565140 ZPELNUPMTIUNIV-CYBMUJFWSA-N 483.425 6.666 50 10 JKGE COc1ccc([C@H](Cl)c2ccc(Br)cc2OC)cc1I 2285011270 SZJPONNBQCUXTO-HNNXBMFYSA-N 467.528 5.399 50 10 JKGE Fc1cc([C@@H](Br)c2cc(Br)c(F)cc2Cl)c(F)cc1Br 2285985709 LXZGETNSWZDRDE-ZDUSSCGKSA-N 493.342 6.767 50 10 JKGE Fc1cc(Br)c(F)c(Br)c1[C@H](Br)[C@@H]1CCCC2(CC2)C1 2288346795 LXURTMFJCZKZBS-PRHODGIISA-N 472.993 6.896 50 10 JKGE Cc1ccc([C@@H](Br)c2c(F)cc(Br)c(F)c2Br)c(F)c1 2288373413 IVHFPRWHUGIVQA-GFCCVEGCSA-N 472.924 6.422 50 10 JKGE COc1cc(C=C(C#N)c2cccc(Cl)c2)c(Br)cc1OCc1ccc(F)cc1 2293692847 OIZQGODFDNZCPF-UHFFFAOYSA-N 472.741 6.893 50 10 JKGE Clc1ccc([C@H](CI)OCc2cc(Br)ccc2Cl)cc1 2295174162 VIHLJKULPGBTGT-HNNXBMFYSA-N 485.974 6.449 50 10 JKGE COc1cc(C)c(Cl)cc1[C@@H](Br)c1cc(C)ccc1I 2295291192 CVQBAPKGTVXLOA-INIZCTEOSA-N 465.556 6.054 50 10 JKGE COc1cc(C=C(C#N)c2nc(-c3ccc4ccccc4c3)cs2)cc(OC)c1OC(C)=O 2296048082 ZBGZGCFWLABFJI-UHFFFAOYSA-N 456.523 5.970 50 10 JKGE CCOC(=O)c1c(NC=C(C#N)c2nc(-c3ccc(OC)c(OC)c3)cs2)sc2c1CCCC2 2296802166 SEGGHSTUKIUPMY-UHFFFAOYSA-N 495.626 5.921 50 10 JKGE CSc1cccc(NC(SCc2ccc(C)cc2C)=C(C#N)S(=O)(=O)c2ccccc2)c1 2297350009 LLFGOECKYHCWGT-UHFFFAOYSA-N 480.680 6.537 50 10 JKGE CCOc1cc(C=C(C#N)C(=O)Nc2c(C)cccc2C)ccc1OCc1cccc2ccccc12 2297551681 YUMDRZNITHKNBS-UHFFFAOYSA-N 476.576 6.980 50 10 JKGE N#CC(=Cc1ccc(-c2ccc(Br)cc2)o1)C(=O)Nc1ccc([S@](=N)(=O)O)cc1 2297551851 SXEVMRRUBNYPHS-UHFFFAOYSA-N 472.320 5.133 50 10 JKGE CCc1ccc([C@H](Br)c2cc(Br)ccc2OCc2ccccc2)o1 2299496483 ULRUYDDDURSJGW-HXUWFJFHSA-N 450.170 6.668 50 10 JKGE Cl[C@@H](c1ccc(OCc2ccccc2)cc1)c1cc(Br)ccc1OCc1ccccc1 2299535877 UFJABVLOGXLNAY-MHZLTWQESA-N 493.828 7.935 50 10 JKGE COc1cccc(C=C(C#N)C(=O)Nc2ccc(Cl)cc2)c1OCc1cccc(Cl)c1 2313631452 QIQHRBWSNIBTBK-UHFFFAOYSA-N 453.325 6.127 50 10 JKGE Brc1ccc(OCc2ccccc2)c([C@@H](Br)C[C@@H]2CCC[C@@H]3C[C@H]23)c1 2314441552 ZQTIJQPBGOGIAP-IGGJEDBVSA-N 464.241 7.290 50 10 JKGE N#CC(=Cc1c(Oc2ccccc2)nc2ccccn2c1=O)C(=O)Nc1cccc(Cl)c1Cl 2314533895 UVCAEVXYSGJDMF-UHFFFAOYSA-N 477.307 5.339 50 10 JKGE Cc1ccc(N2C(=O)[C@H](Cc3ccc(C(C)C)cc3)SC2=C(C#N)C(=O)NCc2ccco2)cc1C 2314593419 MSLLLJHHJKRHKP-SANMLTNESA-N 499.636 5.763 50 10 JKGE CCc1ccc(C[C@H]2SC(=C(C#N)C(=O)NCc3ccco3)N(c3ccc(CC)cc3)C2=O)cc1 2314593710 RSCLSZGMMRKKMV-RUZDIDTESA-N 485.609 5.147 50 10 JKGE CCOc1cc(C=NNC(=O)c2ccc(-c3ccc(Cl)c(Cl)c3)nc2C)ccc1OC 2321248655 IHPOHUJBAUDFCL-UHFFFAOYSA-N 458.345 5.535 50 10 JKGE N#CC(=CNc1cc([N+](=O)[O-])ccc1Cl)C(=O)Nc1ccccc1Sc1ccccc1 2325336906 HYRNSZUVHNUSGY-UHFFFAOYSA-N 450.907 5.857 50 10 JKGE CC(=Cc1ccccc1Cl)C(=O)N[C@H](C(=O)Nc1ccc(SC#N)cc1)c1ccccc1 2330474586 QBPHMDFHTHBGKL-QHCPKHFHSA-N 461.974 5.813 50 10 JKGE CCCCc1ccc(-c2csc(C(C#N)=C(O)[C@H]3CC(=O)N(c4ccc(CCCC)cc4)C3)n2)cc1 2331256000 MYJWHWQRBHYPLZ-DEOSSOPVSA-N 499.680 7.341 50 10 JKGE N#CC(=C(O)CCCOc1ccc(Cl)cc1)c1nc(-c2ccc3c(c2)OCCO3)cs1 2331331213 YZLQVLHDQKBZPE-UHFFFAOYSA-N 454.935 5.887 50 10 JKGE CCOC(=O)Oc1ccc(C(O)=C(C#N)c2nc(-c3cc(C)cc(C)c3OC)cs2)cc1 2331370235 PTRBYPCPXHLMNJ-UHFFFAOYSA-N 450.516 5.921 50 10 JKGE Cc1ccc(S(=O)(=O)NCC(O)=C(C#N)c2nc(-c3c(C)c(C)cc(C)c3C)cs2)cc1 2331370277 VALBGZLKESHGBQ-UHFFFAOYSA-N 467.616 5.123 50 10 JKGE COc1c(C)cc(C)cc1-c1csc(C(C#N)=C(O)CCc2nc3ccccc3[nH]c2=O)n1 2331376276 QINAHLAVQRHRBU-UHFFFAOYSA-N 458.543 5.098 50 10 JKGE CCCCCCCOc1ccc(-c2csc(C(C#N)=Cc3ccc(Cl)c([N+](=O)[O-])c3)n2)cc1 2331460477 HEFIRLCEIBIFHQ-UHFFFAOYSA-N 482.005 7.785 50 10 JKGE CCCCCCCOc1ccc(-c2csc(C(C#N)=Cc3ccc(C(F)(F)F)cc3)n2)cc1 2331460493 IOVWCLLJJKZGSY-UHFFFAOYSA-N 470.560 8.242 50 10 JKGE CC1(C)C[C@@H]([C@@H](Br)c2ccc(OCc3ccccc3)cc2Br)C(C)(C)O1 2336053464 JSVDLKRESKPWQL-ICSRJNTNSA-N 482.256 7.058 50 10 JKGE Clc1ccc(COc2ccc(CBr)c(Cl)c2)cc1I 2337269944 FZUXKFSGXHQDMM-UHFFFAOYSA-N 471.947 6.072 50 10 JKGE Cc1nc(Br)c([C@@H](Br)Cc2ccc(Br)cc2Cl)n1C 2337326810 YDQJCXDKFRPXPQ-JTQLQIEISA-N 471.418 5.586 50 10 JKGE CCCc1sc(Br)cc1[C@@H](Br)c1ccc(Br)cc1F 2338021562 QTYCHPHWXZGORD-AWEZNQCLSA-N 471.027 6.849 50 10 JKGE Fc1cc([C@H](Br)c2cc(Br)ccc2Br)c(Cl)cc1Cl 2351640908 GMFJXYKOAUQADF-CYBMUJFWSA-N 491.807 7.142 50 10 JKGE Clc1ccc(I)cc1CN1CC[C@]2(CCC[C@@H]2Br)C1 2352421938 QWGCVMYHYYDOOS-LSDHHAIUSA-N 454.577 5.084 50 10 JKGE CC(C)n1nc(Br)nc1C[C@H](Br)c1ccccc1Br 2353724934 PKHGWOVVZZVVDA-NSHDSACASA-N 451.988 5.063 50 10 JKGE Fc1c(Br)cc(Cl)c([C@H](Br)[C@@H]2CCCC3(CC3)C2)c1Br 2362227061 ZOJBKFAGGMUQLB-PRHODGIISA-N 489.448 7.411 50 10 JKGE CC1(C)C[C@H](C[C@H](Br)c2c(Cl)cc(Br)c(F)c2Br)CO1 2362227473 FWRDHNQYYYKUSS-YUMQZZPRSA-N 493.436 6.645 50 10 JKGE Fc1c(Br)cc(Cl)c([C@H](Cl)CC2CC(C(F)F)C2)c1Br 2362241430 XDHKCMQYAAYRPC-NPWHJSNTSA-N 454.939 6.965 50 10 JKGE Cc1cc(Br)c(F)c(Br)c1[C@@H](Br)[C@@H]1CCCCC12CC2 2365193178 ZHDSLZQUHJLJHT-GWCFXTLKSA-N 469.030 7.066 50 10 JKGE Cc1cc(Br)c(F)c(Br)c1[C@H](Br)[C@H]1CCCC12CCC2 2365225562 KVZITMZZLABWPS-ZWNOBZJWSA-N 469.030 7.066 50 10 JKGE CCOc1ccc([C@@H](Br)c2cccc(F)c2I)c(F)c1 2367459408 MCJIUZWZVYAGLS-CQSZACIVSA-N 453.064 5.452 50 10 JKGE O=C(Nc1cc(F)c(CBr)cc1F)c1csc(Br)c1Br 2368837931 OXDCNCWVYRUKEU-UHFFFAOYSA-N 489.961 5.699 50 10 JKGE Cc1c(Br)csc1[C@H](Br)c1cc2c(cc1Br)OCCC2 2369621334 LYGQHJDEJJSDBL-CQSZACIVSA-N 481.047 6.391 50 10 JKGE CCc1ccc([C@H]2C(C#N)=C(N)N(c3ccc(Br)cc3C)C3=C2C(=O)CCC3)s1 9981487 JSTUPLODCJODDC-OAQYLSRUSA-N 468.420 5.686 50 10 JKGE CC[C@@H](Oc1ccccc1[C@H](C)CC)C(=O)NNC(=O)COc1ccccc1-c1ccccc1 10682281 QAXZJVQOOJSYNL-HYBUGGRVSA-N 460.574 5.251 50 10 JKGE CCOc1ccc(/C=C(\C#N)c2nc(-c3cc4c(ccc5ccccc54)oc3=O)cs2)cc1 27474128 NNYMQAGFEKHYGT-CPNJWEJPSA-N 450.519 6.533 50 10 JKGE N#C/C(=C/c1ccccc1Cl)c1nc(-c2cc3cc(Br)ccc3oc2=O)cs1 33391373 YEVAANTXDYPDEQ-AUWJEWJLSA-N 469.747 6.397 50 10 JKGE CC(C)(C)c1ccc(N2C(=O)CS[C@H]2c2cccc(NC(=O)[C@H](Cl)c3ccccc3)c2)cc1 35928194 HSXGKDKBXAODGD-RSXGOPAZSA-N 479.045 6.681 50 10 JKGE CCOc1ccc(-c2nn(-c3ccccc3)cc2/C=C2/C(=O)N(C(C)C)C(=O)C(C#N)=C2C)cc1F 38604329 OMQMYNKBWPMKSC-LPYMAVHISA-N 484.531 5.078 50 10 JKGE Cc1ccc(C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@H]3c2ccc(Cl)c(Cl)c2)cc1 38655655 JSMADHVJXLXGLQ-QFIPXVFZSA-N 451.309 5.739 50 10 JKGE N#CC1=C(N)Oc2cc(OC(=O)COc3cccc(Cl)c3)ccc2[C@@H]1c1cccc2ccccc12 38657971 LYLYSTRTPOJZKY-MHZLTWQESA-N 482.923 5.696 50 10 JKGE CCCCOc1cccc(C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@H]3c2ccc(C(=O)OC)cc2)c1 38683614 FKACQFSSZUFOQQ-SANMLTNESA-N 498.535 5.089 50 10 JKGE CCCCCCOc1ccc(/C=C(\C#N)C(=O)Nc2cccc(Br)c2)cc1OC 40853631 SNUDZEZKIRPDTK-QGOAFFKASA-N 457.368 5.962 50 10 JKGE CCCOc1ccc(/C=C(\C#N)C(=O)Nc2nc(-c3cccc(Br)c3)cs2)cc1 40928696 IRYOMBIHWRDSQE-GZTJUZNOSA-N 468.376 5.907 50 10 JKGE O=C(N/N=C/c1c2ccccc2cc2ccccc12)c1ccc(OCc2ccc(Cl)cc2Cl)cc1 48572875 XPSZSNXQMBWSEH-VTNSRFBWSA-N 499.397 7.643 50 10 JKGE CCOc1cc(/C=N\NC(=O)CC[C@H](O)c2ccccc2)cc(Cl)c1OCc1ccc(C)cc1 58891399 BEOQQGYAGRKSMP-WYDFGVIMSA-N 480.992 5.590 50 10 JKGE C=CCc1cc(/C=N\NC(=O)CC[C@H](O)c2ccccc2)cc(OC)c1OCc1ccc(C)cc1 58892067 XWIRWYSQRZUEAI-UAWDSHSBSA-N 472.585 5.275 50 10 JKGE Cc1cc(/C=C(/C#N)C(=O)OCC(=O)Nc2ccccc2Cc2ccccc2)c(C)n1CCC(C)C 96491728 NHNFONMEKJSXAB-IMRQLAEWSA-N 483.612 5.831 50 10 JKGE CCCN1CC2=C(OC(N)=C(C#N)[C@H]2c2ccccc2Cl)/C(=C\c2ccccc2Cl)C1 96592671 GNLYZBQDDKUARK-QUDXMAFCSA-N 452.385 5.864 50 10 JKGE N#C/C(=C/Nc1ccc(Cl)cc1)c1nc(-c2cc3cc([N+](=O)[O-])ccc3oc2=O)cs1 100480653 MNLFJQLNJFXHJC-RAXLEYEMSA-N 450.863 5.455 50 10 JKGE CC1=C(C#N)C(=O)N(C2CCCCC2)C(=O)/C1=C/c1ccc(OCc2ccccc2Cl)cc1 101339103 VMGRTWBLGSNZLI-HZHRSRAPSA-N 460.961 5.844 50 10 JKGE COc1cc(/C=C(\C#N)c2nc(-c3ccc4c(c3)OCO4)cs2)cc(Br)c1O 102906993 NIZZDFRABDZMOQ-YIXHJXPBSA-N 457.305 5.080 50 10 JKGE CCCCCCCCCCC[C@@H](Br)c1cc(Br)sc1Br 115861148 RATMZNQRACEBOP-CQSZACIVSA-N 489.155 8.630 50 10 JKGE COc1ccc(C)cc1[C@@H](Br)c1cc(Br)c(Br)s1 128265644 ZWFHETVBKAOAND-GFCCVEGCSA-N 455.009 6.074 50 10 JKGE FC(F)(F)c1ccc(Br)c([C@H](Br)c2ccc(Br)cc2)c1 159836693 NVCZRWNTJMAVBA-CYBMUJFWSA-N 472.924 6.715 50 10 JKGE CC(C)(C)c1ccc([C@H](Cl)c2cc(Br)ccc2I)s1 232513034 GOHHKQIIDVFGSR-CQSZACIVSA-N 469.613 6.741 50 10 JKGE Fc1cc([C@@H](Br)c2cc(Br)sc2Br)ccc1Cl 236220550 KELGIFYYWLCYLW-SNVBAGLBSA-N 463.391 6.550 50 10 JKGE COc1cc(C=NNC(=O)[C@@H]2[C@@H]3CCCC[C@]32C)ccc1OCc1ccc(Br)cc1 254486567 HKLUFKGORBVYLG-NGYIFUPDSA-N 471.395 5.313 50 10 JKGE Cc1cc(C=NNC(=O)CCc2cc(C(C)(C)C)c(O)c(C(C)(C)C)c2)c(C)n1-c1ccccc1 254508989 FMMUAWPZJCQROL-UHFFFAOYSA-N 473.661 6.478 50 10 JKGE ClCc1nc2cc(I)ccc2n1Cc1cc(Cl)sc1Cl 312729406 ZRTJCFUWJLVRHQ-UHFFFAOYSA-N 457.551 5.796 50 10 JKGE CC(C)(C)[Si](C)(C)OCCc1ccccc1[C@@H]1CCCN(CCO[Si](C)(C)C(C)(C)C)CC1 616600229 AMPPBIHGJQSYLZ-XMMPIXPASA-N 491.909 7.842 50 10 JKGE CC(C)(C)[Si](C)(C)OCCc1cccc([C@H]2CCOCCN2CCO[Si](C)(C)C(C)(C)C)c1 616656660 XCEWWFDKXBUNDN-RUZDIDTESA-N 493.881 7.036 50 10 JKGE CC(C)(C)[Si](C)(C)OCc1ccccc1[C@@H]1CCN(S(=O)(=O)c2ccccc2)CCO1 616666247 JRKNFTRIVAUZSF-QHCPKHFHSA-N 461.700 5.361 50 10 JKGE Cn1ncc(Br)c1[C@@H](Br)c1csc2c(Br)cccc12 693069918 GSOGNUAYKVRRKL-NSHDSACASA-N 465.008 5.644 50 10 JKGE FC(F)(F)c1ccc(Cl)c([C@@H](Cl)c2cc(Br)c(Br)s2)c1 695012688 DRMWREWHWNIYAV-SNVBAGLBSA-N 468.947 7.274 50 10 JKGE C[C@H]1CCCN(C(=O)c2cc(Br)ccc2Br)[C@@H]1CCBr 697202028 XELZLHZEQPJXQS-IINYFYTJSA-N 468.027 5.237 50 10 JKGE CO[C@](C)(COCc1ccccc1)Cn1c([C@@H](C)Cl)nc2cc(I)ccc21 702782195 BUKVTLABGSCUSV-VFNWGFHPSA-N 498.792 5.563 50 10 JKGE COc1cccc2c1nc(CCl)n2CC1(N(Cc2ccccc2)Cc2ccccc2)COC1 705782424 GNZQRAUYXLBCGZ-UHFFFAOYSA-N 461.993 5.255 50 10 JKGE Cc1ccc([C@H](Cl)c2ccc(I)c(Cl)c2)c(C)c1Br 719578482 ULWUHWFIYGCBDC-OAHLLOKOSA-N 469.975 6.652 50 10 JKGE O=C(NC1(CCBr)CCSCC1)c1cc(Br)sc1Br 719719135 IQYGHFHRFLQFLK-UHFFFAOYSA-N 492.096 5.054 50 10 JKGE Cc1ccc(C)c(-n2c(C)c(Br)c(C=NNC(=O)COc3ccccc3C)c2C)c1 725412166 NPVHVOFJCNAERB-UHFFFAOYSA-N 468.395 5.311 50 10 JKGE CC(=O)[C@@]1(O)CC[C@H]2[C@@H]3C[C@H](C)C4=CC(=O)C=C(O[Si](C)(C)C(C)(C)C)[C@]4(C)[C@H]3[C@@H](O)C[C@@]21C 888085758 LFEZZFSKYNHYMM-GENVLIIUSA-N 488.741 5.181 50 10 JKGE C=CCOc1c(Cl)cc(C=NNC(=O)C(O)(c2ccccc2)c2ccccc2)cc1Br 1084025242 OPKSFHMTADUBAA-UHFFFAOYSA-N 499.792 5.054 50 10 JKGE COc1cc(C=NNC(=O)CC[C@H](O)c2ccccc2)cc(Cl)c1OCc1ccc(C)cc1 1084401767 BKRSJNSNOOUHOQ-QHCPKHFHSA-N 466.965 5.200 50 10 JKGE COC(=O)c1c(N=Cc2cc(Br)c(OC)cc2OC)sc(/C(C)=C/C#N)c1C 1084520569 YAOKOQOKWBXXRX-ATMUAFRZSA-N 463.353 5.300 50 10 JKGE CCCCCN1C(=O)C(=NNC(=O)c2cc(-c3ccccc3)nc3ccccc23)c2cc(OC)ccc21 1772720925 XJSQJUSGBMKHDU-UHFFFAOYSA-N 492.579 5.581 50 10 JKGE Cc1cc(OC(=O)c2oc3c(c2C)C(=NNC(=O)COc2ccccc2)CCC3)cc(C)c1Cl 1772749646 NXAGYTATPWONRA-UHFFFAOYSA-N 480.948 5.313 50 10 JKGE Cc1c(C(=O)Nc2cccc3ccccc23)oc2c1C(=NNC(=O)c1ccccc1O)CCC2 1772751371 AAATVUOTKJQHAI-UHFFFAOYSA-N 453.498 5.170 50 10 JKGE N#CC1=C(N)Oc2c(c(-c3ccccc3)nn2-c2ccc(Cl)c(Cl)c2)[C@H]1c1ccc(O)cc1 1865684602 SWYWHYRJLKWDJP-NRFANRHFSA-N 475.335 5.770 50 10 JKGE Cc1ccc(Cn2nc(-c3ccccc3)c3c2OC(N)=C(C#N)[C@H]3c2ccc(C(C)C)cc2)cc1 1865685620 KYLBUTIWZRHSDE-AREMUKBSSA-N 460.581 6.248 50 10 JKGE CCCCCOc1ccc([C@@H]2C(C#N)=C(N)Oc3c2c(CC)nn3Cc2cccc(F)c2)cc1OC 1865696660 PRPCSHGHQOVGLB-RUZDIDTESA-N 490.579 5.429 50 10 JKGE COc1ccc(-c2nn(Cc3ccc(C)cc3)c3c2[C@H](c2c[nH]c4ccccc24)C(C#N)=C(N)O3)cc1 1865700353 QQTOQKHIAOWSHX-SANMLTNESA-N 487.563 5.615 50 10 JKGE CCc1nn(-c2ccc(Cl)cc2)c2c1[C@@H](c1ccc(OCc3ccccc3C)cc1)C(C#N)=C(N)O2 1865702961 JLNVPWZIHCSPSA-SANMLTNESA-N 496.998 6.194 50 10 JKGE CCc1ccc([C@H]2C(C#N)=C(N)Oc3c2c(C(F)(F)F)nn3Cc2ccccc2Cl)cc1 1865708531 AQECSQPWXKXFRF-SFHVURJKSA-N 458.871 5.384 50 10 JKGE CCCc1nn(Cc2cccc(F)c2)c2c1[C@@H](c1ccc(Br)cc1)C(C#N)=C(N)O2 1865715092 VYICAJFPBAJNRB-FQEVSTJZSA-N 467.342 5.004 50 10 JKGE C[C@@H](CC(=O)N[C@H](Cc1ccccc1)C(=O)Nc1ccc(SC#N)cc1)c1ccc(Cl)cc1 1866715897 PKJVESOCKORJPS-MHECFPHRSA-N 478.017 5.773 50 10 JKGE N#C/C(=C\c1cc(Br)ccc1OCc1ccc(Cl)c(Cl)c1)n1cnc2ccccc21 1872727277 LWCAOGKWWLCSFP-WOJGMQOQSA-N 499.195 7.206 50 10 JKGE CC(C)(C)c1ccc(C(=O)NC/C(O)=C(\C#N)c2nc(-c3cccc(Br)c3)cs2)cc1 1872745853 GPMQXDATWPYFLL-VZCXRCSSSA-N 496.430 6.093 50 10 JKGE N#C/C(=C(O)\C=C\c1ccc(Cl)cc1Cl)c1nc(-c2ccc(Br)cc2)cs1 1872746605 POOHRHLDVVUBFF-XSWHXBHFSA-N 478.198 7.385 50 10 JKGE CCc1ccc(OCCC/C(O)=C(\C#N)c2nc(-c3cc(OC)c(Cl)cc3OC)cs2)cc1 1872756023 APATVKNZSSCJDF-QOCHGBHMSA-N 485.005 6.695 50 10 JKGE COc1cc(OC)c(-c2csc(/C(C#N)=C(\O)c3cccc(OCC(C)C)c3)n2)cc1Cl 1872756280 GZAKJUANNGJTQQ-NKFKGCMQSA-N 470.978 6.465 50 10 JKGE CCCCc1ccc(-c2csc(/C(C#N)=C/c3ccc(OCc4ccccc4)c(OCC)c3)n2)cc1 1872781007 RKIKSBUPWIJBGA-OVVQPSECSA-N 494.660 8.195 50 10 JKGE Cc1cc(C)c(C)c(-c2csc(/C(C#N)=C/c3ccccc3OCc3ccccc3Cl)n2)c1C 1872792601 HQHMQYIUYDWXMS-ZVHZXABRSA-N 485.052 8.340 50 10 JKGE CCOc1ccc(-c2csc(/C(C#N)=C/c3cccc(Br)c3)n2)c(OCC)c1 1872793493 CORWRVBHMRXXIA-MHWRWJLKSA-N 455.377 6.434 50 10 JKGE Cc1c(Br)sc([C@H](Br)[C@@H]2C[C@@H]2C(F)(F)F)c1Br 1905841880 BEOIHXMMSJMTNG-JCGDXUMPSA-N 456.947 6.216 50 10 JKGE FC1(F)[C@@H]2CC[C@H]([C@H](Br)c3sc(Br)cc3Br)C[C@H]21 1922893413 FRECNLQXQUJUJZ-DHCFDGJBSA-N 464.995 6.391 50 10 JKGE Cc1cccc([C@H](Br)c2c(Br)sc(Br)c2Cl)c1F 1923039222 NBBCYDXDYMAECA-QMMMGPOBSA-N 477.418 6.858 50 10 JKGE FC1(F)[C@H]([C@@H](Br)c2c(Br)sc(Br)c2Cl)C12CCCC2 1923074288 JPUNPLNHOSIWMV-POYBYMJQSA-N 499.440 7.188 50 10 JKGE Cc1nsc(Br)c1[C@H](Br)[C@H](C)c1ccncc1Br 1924065606 WFUIXTRJQIGWLB-KSBSHMNSSA-N 455.013 5.611 50 10 JKGE Brc1sc(Br)c([C@H](Br)[C@H]2CCOC2)c1Br 1924576186 KYUMPEHAPSGUCG-UJURSFKZSA-N 483.845 5.508 50 10 JKGE Cl[C@H](c1c(Br)sc(Br)c1Br)[C@@H]1CC2CCC1CC2 1924591480 RVBINQPRFYNHTO-FSOPGCIFSA-N 477.487 7.142 50 10 JKGE Fc1ccc([C@@H](Br)c2c(Cl)sc(Cl)c2Cl)c(Br)c1 1925587163 HFNZUXWBGFRZAT-MRVPVSSYSA-N 453.385 7.094 50 10 JKGE Fc1ccc([C@H](Br)c2c(Cl)sc(Cl)c2Cl)c(Br)c1 1925587164 HFNZUXWBGFRZAT-QMMMGPOBSA-N 453.385 7.094 50 10 JKGE CC(C)Oc1cccc([C@@H](Br)c2c(Cl)sc(Br)c2Cl)c1 1925600531 RTHPKTBQUAXTFG-LLVKDONJSA-N 459.030 7.089 50 10 JKGE C[C@@H]1COc2ccc([C@@H](Br)c3cc(Br)sc3Br)cc21 1925723398 XEWCJNDSNUNQDN-FUXBKTLASA-N 467.020 6.253 50 10 JKGE C[C@@H]1OCC[C@@H]1C[C@@H](Cl)c1c(Br)sc(Br)c1Br 2019621588 CQQXGQYHSRBQOB-RRKCRQDMSA-N 467.448 6.131 50 10 JKGE CCc1sc(Br)cc1[C@H](Br)c1ccc(Br)c(Cl)c1 2030217941 FLMUEQYESBRADV-CYBMUJFWSA-N 473.455 6.973 50 10 JKGE Cc1c(Br)sc([C@H](Br)[C@@H]2CC23CC(F)(F)C3)c1Br 2069067065 BBADWABOSLOSPV-POYBYMJQSA-N 464.995 6.453 50 10 JKGE Fc1cc(Br)c([C@H](Br)c2coc(Br)c2)c(F)c1Cl 2081838066 HNEODGXSOLWJCV-SECBINFHSA-N 465.313 6.221 50 10 JKGE Brc1cc(Br)c([C@H](Br)C2C3(CCC3)C23CCC3)s1 2083563523 CLJGKWCMYAMNQP-JTQLQIEISA-N 455.053 6.680 50 10 JKGE C[C@H]1Cc2cc([C@H](Br)c3ccoc3Br)cc(Br)c2O1 2090466324 DOBKGWYDAOQHNO-MADCSZMMSA-N 450.952 5.612 50 10 JKGE Fc1ccc(C[C@@H](Br)c2c(Br)cccc2Br)cc1F 2094098811 IOLNXUZQGJGOJI-LLVKDONJSA-N 454.934 6.169 50 10 JKGE Cc1cc(Br)c([C@H](Br)[C@@H]2CCC[C@@H](C)CC2)cc1Br 2100835742 LVYGROQATMHJLD-NSODJVPESA-N 453.056 7.172 50 10 JKGE Clc1c(Br)ccc(CBr)c1N1CC[C@H]2CN(Cc3ccccc3)C[C@@H]2C1 2112430497 NEGCTFMCADKTOC-ZWKOTPCHSA-N 498.690 5.956 50 10 JKGE COC1(C(F)(F)F)CC([C@@H](Br)c2cc(Br)sc2Br)C1 2125556644 UCTLXGCTCSYDIS-FDRLMODASA-N 486.973 6.067 50 10 JKGE COc1cc(Br)ccc1[C@@H](Br)c1cc(C2CC2)c(Br)s1 2151034359 YECSKFXUSDQXJH-CQSZACIVSA-N 481.047 6.643 50 10 JKGE ClCc1ccc(Br)c(Cl)c1N1CCO[C@H]2CCN(Cc3ccccc3)C[C@H]21 2154376726 XZMAPBJZGANCDC-MOPGFXCFSA-N 470.238 5.321 50 10 JKGE C[C@@H](Cl)c1nc2cc(I)ccc2n1[C@@H]1CCCCN(Cc2ccccc2)C1 2158570674 FPJGIKAHIPRFGQ-VQIMIIECSA-N 493.820 6.168 50 10 JKGE CCc1nc([C@H](Br)c2cc(Br)cc3c2OCC3)c(Br)s1 2169487468 GGILXQCPRQBBLC-LLVKDONJSA-N 482.035 5.650 50 10 JKGE CN(C(=O)c1cc(Cl)ccc1I)[C@H]1CCCCC[C@H]1Br 2172545699 AEHZPHGSZGZWKC-OCCSQVGLSA-N 470.576 5.113 50 10 JKGE C[C@@H]1C[C@@H](C(F)(F)F)N(CC2(CBr)CCCC2)CCN1C(=O)OC(C)(C)C 2178262636 FJGFVYUKDQHSPO-CABCVRRESA-N 457.375 5.204 50 10 JKGE CN([C@H]1CC[C@@H]1OCc1ccccc1)S(=O)(=O)c1ccc(Cl)c(CBr)c1Cl 2179834274 ZFUVOICADJAEHD-IRXDYDNUSA-N 493.250 5.257 50 10 JKGE COc1cc(CBr)ccc1S(=O)(=O)N(Cc1ccccc1)[C@H](C)C(C)(C)C 2179859397 CXQXKYKGGYQFML-MRXNPFEDSA-N 454.430 5.216 50 10 JKGE O=S(=O)(c1ccc(Cl)c(CBr)c1Cl)N1CCC[C@@H](OCc2ccccc2)C1 2186388354 DEZCTRAHUCFHCW-OAHLLOKOSA-N 493.250 5.258 50 10 JKGE CC(C)(C)OC(=O)NCC1CC([S@](C)(=O)=NCCCCCCCCCBr)C1 2192623336 FLNWIODCTKIHFP-ZQDGVCNQSA-N 467.514 5.513 50 10 JKGE COc1c(Br)cc(C)cc1[C@H](Br)c1ccc(Br)cc1C 2203825917 RVMBMLXCIBPFOG-OAHLLOKOSA-N 463.007 6.321 50 10 JKGE Cn1nc([C@H](Cl)c2cc(Br)c(Br)cc2F)cc1Br 2218606411 QWLMJVXORWCOAP-LLVKDONJSA-N 461.354 5.175 50 10 JKGE FC(F)COCC[C@@H](Br)c1c(Br)cc(Cl)c(Cl)c1Cl 2224302869 PSBHSKPBCZYGQP-RXMQYKEDSA-N 461.355 6.517 50 10 JKGE CCn1cc(Br)c([C@@H](Br)c2c(Br)cc(C)c(Cl)c2C)n1 2232529521 XQJQEGLDQWCLFE-LBPRGKRZSA-N 485.445 6.183 50 10 JKGE Cc1cc(S(=O)(=O)Nc2ccc(Cl)cc2CBr)sc1Br 2239465228 ZKCQRLJXGUTNKO-UHFFFAOYSA-N 459.612 5.168 50 10 JKGE CC1(C)[C@@H]2CC([C@H](Br)Cc3cc(Br)cc(Br)c3)C[C@H]21 2277950786 YDPVZUSSGDTSRY-RBSFLKMASA-N 451.040 6.200 50 10 JKGE C[C@H](Br)C[C@H]1CCCCN1C(=O)c1ccc(Cl)c(I)c1 2283656858 PTKOMNDXWAINGI-CMPLNLGQSA-N 470.576 5.113 50 10 JKGE COc1cc(C)c(Br)c(C)c1[C@@H](Br)c1cnn(C)c1Br 2285074330 IACIACCQDDSWHZ-ZDUSSCGKSA-N 466.999 5.055 50 10 JKGE Brc1cc(Br)cc(C[C@@H](Br)c2ccc3c(c2)CCO3)c1 2295265226 ORHAPSQROXUQCL-OAHLLOKOSA-N 460.991 5.825 50 10 JKGE COc1ccc(Br)c([C@@H](Cl)Cc2cc(Br)cc(Br)c2)c1 2295343669 ZHHQJYJAESFCIV-HNNXBMFYSA-N 483.425 6.505 50 10 JKGE N#CC(=Cc1ccccc1OCc1c(Cl)cccc1Cl)C(=O)Nc1sccc1C#N 2295669993 VYWIJVLDHIMMED-UHFFFAOYSA-N 454.338 6.051 50 10 JKGE C=CCOc1ccc(-c2nn(-c3ccccc3)cc2C=C(C#N)C(=O)NCc2ccco2)c(C)c1 2296707799 LRUGLOUWXGDRNU-UHFFFAOYSA-N 464.525 5.229 50 10 JKGE COc1cc(C=C(C#N)C(=O)Nc2ccccc2C(F)(F)F)cc(Br)c1OC 2297382556 UXBFMXAATBQYLG-UHFFFAOYSA-N 455.230 5.031 50 10 JKGE CCCC(CCC)[C@@H](Br)c1cc(Br)ccc1OCc1ccccc1 2299492964 JTAVMWAAZIZRRP-OAQYLSRUSA-N 454.246 7.681 50 10 JKGE Clc1cc(I)c([C@@H](Br)Cc2ccccc2Cl)s1 2300953058 DYUYHOXRRATJEE-QMMMGPOBSA-N 461.977 6.338 50 10 JKGE Cc1sc(C(=O)N[C@H](CCBr)COCc2ccccc2)c(Br)c1C 2303547665 YGLFZUPHTOZXBT-OAHLLOKOSA-N 475.246 5.228 50 10 JKGE Cc1ccc(S(=O)(=O)Oc2ccc(Cl)cc2C=C(C#N)C(=O)Nc2cccc(C)c2)cc1 2313540903 BFPNSQWMXNOSNN-UHFFFAOYSA-N 466.946 5.270 50 10 JKGE N#CC1=C(N)Oc2cc(OC(=O)C=Cc3ccc(Cl)cc3)ccc2[C@H]1c1c(F)cccc1Cl 2314634371 JNIOGXKNQOALBL-HSZRJFAPSA-N 481.310 5.969 50 10 JKGE N#CC(=Cc1ccc(OC(=O)CCCOc2ccc(Cl)cc2Cl)cc1)c1ccccc1F 2320506152 CPRSNUMNCSSPCF-UHFFFAOYSA-N 470.327 6.961 50 10 JKGE BrC[C@@]1(Cc2ccc(I)c(Br)c2)CCC12CCC2 2325223866 QVOQKIHTAZSSGS-HNNXBMFYSA-N 484.013 5.942 50 10 JKGE N#CC(=CN(c1ccccc1)c1ccc(N)cc1)C(=O)Nc1ccccc1Sc1ccccc1 2325339308 SRWTXYDIBRUIBY-UHFFFAOYSA-N 462.578 6.604 50 10 JKGE N#CC(=Cc1ccc(-n2nc(-c3ccccc3)cc2-c2ccccc2)cc1)n1cnc2ccccc21 2331032846 OYUUZZOCJDAJBZ-UHFFFAOYSA-N 463.544 7.078 50 10 JKGE CC[C@@H](C)[C@@H](C(O)=C(C#N)c1nc(-c2cccc([N+](=O)[O-])c2)cs1)N1C(=O)c2ccccc2C1=O 2331236553 FAGARHMUTLNAEL-SZNDQCEHSA-N 488.525 5.222 50 10 JKGE C[C@@H](Oc1ccc(Cl)cc1)C(O)=C(C#N)c1nc(-c2ccc(Br)cc2)cs1 2331260442 JLDXOQLTIIBZSX-GFCCVEGCSA-N 461.768 6.486 50 10 JKGE N#CC(=C(O)Cc1ccc(Cl)c(Cl)c1)c1nc(-c2ccc(Cl)c(Cl)c2)cs1 2331311349 SSSLFQBNNWAZIF-UHFFFAOYSA-N 456.181 7.459 50 10 JKGE CCOc1ccc(-c2csc(C(C#N)=C(O)c3c(Cl)ccc(Cl)c3OC)n2)c(OCC)c1 2331389091 QUYHTHAXPNWCTN-UHFFFAOYSA-N 491.396 6.873 50 10 JKGE Cc1ccc(C(C)(C)C)cc1-c1csc(C(C#N)=C(O)CN2C(=O)c3ccccc3C2=O)n1 2331396434 XZDJJDGRYHHRPH-UHFFFAOYSA-N 457.555 5.505 50 10 JKGE COc1cc(C)c(-c2csc(C(C#N)=C(O)c3ccc4c(c3)C(=O)N(CC(C)C)C4=O)n2)cc1C 2331402675 FBAPTMJPVPOPDD-UHFFFAOYSA-N 487.581 5.637 50 10 JKGE N#CC(=C(O)C=Cc1ccc(Cl)cc1Cl)c1nc(-c2cc(Cl)ccc2Cl)cs1 2331403850 KEDULYYRVSVMCB-UHFFFAOYSA-N 468.192 7.930 50 10 JKGE COc1cccc(-c2csc(C(C#N)=Cc3c(OCc4ccccc4)ccc4ccccc34)n2)c1 2331421271 CRWPKXXJFMIBBH-UHFFFAOYSA-N 474.585 7.615 50 10 JKGE CCOc1cc(C=C(C#N)c2nc(-c3ccc(Cl)cc3Cl)cs2)cc(Br)c1O 2331421809 UWJSKSZFKHYOOF-UHFFFAOYSA-N 496.213 7.048 50 10 JKGE CCC[C@H]1CN(Cc2ccc(Cl)c(I)c2)C[C@H]1CBr 2337217983 CZUKRDXARZJCBO-QWHCGFSZSA-N 456.593 5.188 50 10 JKGE CCCc1sc(Br)cc1[C@@H](Br)Cc1cccc(Br)c1 2338019665 GBHJKMBWODJDCD-ZDUSSCGKSA-N 467.064 6.904 50 10 JKGE CCC1(C)CC([C@@H](Br)c2c(C)cc(Br)c(F)c2Br)C1 2339653918 NWQUXLMNILTETP-YAKODHLKSA-N 457.019 6.921 50 10 JKGE CCOC1([C@H](Br)c2c(C)cc(Br)c(OC)c2Br)CC1 2339673461 AZJASMGEJOXHPV-CYBMUJFWSA-N 457.000 5.534 50 10 JKGE Fc1cc(Cl)c(Br)c(Cl)c1[C@H](Br)C1CC2(C1)CC2(F)F 2360480652 CPVDVGMQVGBSKT-UNXPPYCYSA-N 452.923 6.766 50 10 JKGE COCCOc1ccc([C@@H](Br)c2cnsc2Br)cc1Br 2362467539 SOXYCHWXRUVCIF-GFCCVEGCSA-N 486.023 5.178 50 10 JKGE Cc1cc(Br)c([C@@H](Br)[C@H]2C[C@H]3CCC[C@H]2CC3)cc1Br 2364132088 FOSVCQKGQXUCPL-MRHIQRDNSA-N 465.067 7.172 50 10 JKGE O=C(c1ccc(Cl)cc1I)N1CCCC[C@@H]1CCCBr 2365593843 WWRRLBOIBUSXLO-GFCCVEGCSA-N 470.576 5.114 50 10 JKGE Clc1ccc(CN2[C@H](CBr)C[C@H]3CCCC[C@@H]32)c(I)c1 2366715859 SKRRFQLARJBFGB-WPGHFRTFSA-N 468.604 5.473 50 10 JKGE C[C@@H]1CC[C@H](C(C)(C)Cc2ccc(Cl)cc2I)[C@H](Br)C1 2366729861 OZAJYUJRTYQSMI-BYCMXARLSA-N 469.632 6.713 50 10 JKGE CC1(C)CC[C@@H](CCOc2c(Br)cc(Br)cc2CBr)C1 2370897378 YOPHEHIOINPFLS-NSHDSACASA-N 469.055 6.702 50 10 JKGE Cc1ccccc1[C@H](CBr)OCc1cc(I)ccc1Cl 2380352660 DJMQWYDRUZCQAX-INIZCTEOSA-N 465.556 5.906 50 10 JKGE Clc1ccc(I)cc1CN1CC[C@@H]2[C@H](Br)CCC[C@H]2C1 2380513428 UCFCFBRNFUJPSH-TUKIKUTGSA-N 468.604 5.330 50 10 JKGE Cc1cc(Br)c(C(C)C)cc1[C@H](Cl)c1ccc(I)cc1 2380928207 WXFZRYQWUQFDCL-QGZVFWFLSA-N 463.584 6.814 50 10 JKGE Cc1cc(Br)c(C(C)C)cc1[C@H](Br)c1cccc(Br)c1 2380945805 ADVPARODFDWFBB-QGZVFWFLSA-N 461.035 7.128 50 10 JKGE Cc1ccccc1CSC(SCc1ccccc1C)=C(C#N)C(=O)Nc1ccc(F)cc1 3052459 GMIJGFRJVJBKRG-UHFFFAOYSA-N 462.615 6.983 50 10 JKGE CC[C@H](C)c1ccccc1O[C@H](CC)C(=O)NNC(=O)CCCOc1ccc(Cl)cc1Cl 10683347 ZMYMODRCPJGJBZ-OXJNMPFZSA-N 481.420 5.671 50 10 JKGE CCOC(=O)c1c(NC(=O)/C(C#N)=C/c2ccc(-c3ccc(Br)cc3)o2)sc(C)c1C 14151231 PQKKHMWBUUUXJV-LFIBNONCSA-N 499.386 6.110 50 10 JKGE CCCCCOc1ccc(/C=N/NC(=O)c2ccccc2NC(=O)c2ccc(OC)cc2)cc1 20075733 WVAOGKMSIJQNAB-TURZUDJPSA-N 459.546 5.280 50 10 JKGE Cc1cccc(C)c1N/C(SCc1cccc(F)c1)=C(/C#N)S(=O)(=O)c1ccccc1 20325020 UYMFCLOLKKOEOL-ZNTNEXAZSA-N 452.576 5.954 50 10 JKGE Cc1ccc(-c2ccc(/C=C(\C#N)c3nc(O)c4c5c(sc4n3)CCCC5)o2)c([N+](=O)[O-])c1 28356070 WBVUJUBTFGUZHA-SDNWHVSQSA-N 458.499 5.817 50 10 JKGE CCCCOC(=O)c1ccc(NC(=O)/C(C#N)=C\c2ccc(OC(=O)c3ccccc3)cc2)cc1 33765777 YPQOKMWNROWCOM-NKFKGCMQSA-N 468.509 5.408 50 10 JKGE Cc1cccn2c(=O)c(/C=C(/C#N)C(=O)NC3CCCC3)c(Oc3ccc(C(C)(C)C)cc3)nc12 34762453 PUCCSFOJVRBQIZ-MNDPQUGUSA-N 470.573 5.059 50 10 JKGE COc1ccc(-c2nn(-c3ccccc3)cc2/C=C(\C#N)c2nc(O)c3ccccc3n2)cc1OC 34983893 DCHMSIKIRSILGT-XMHGGMMESA-N 475.508 5.269 50 10 JKGE CC(C)c1ccc(O[C@@H](C)C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@H]3c2ccc(F)cc2)cc1 38653150 PDRSPIXZMBUNLQ-QLXKLKPCSA-N 472.516 5.540 50 10 JKGE N#C/C(=C\c1ccc(-c2cc(Cl)cc(Cl)c2)o1)C(=O)Nc1cc(Cl)cc(Cl)c1 39884639 KKDJQMKGRIALAW-LFYBBSHMSA-N 452.124 7.106 50 10 JKGE COc1cc(/C=C(/C#N)c2nc3cc(C(F)(F)F)ccc3s2)cc(OC)c1OC(F)F 58393695 NRLBAOISPFSGQU-WZUFQYTHSA-N 456.392 5.998 50 10 JKGE C[C@H](CBr)COc1c(Br)cc(Br)cc1Br 96869842 LHNKCZZJBOCMLX-ZCFIWIBFSA-N 465.805 5.384 50 10 JKGE N#C/C(=C/c1ccc(OC(=O)/C=C\c2ccc([N+](=O)[O-])s2)cc1)c1nc2ccccc2s1 97542410 WVYMTRWHZYVWNY-FBSXDCMYSA-N 459.508 5.949 50 10 JKGE Fc1cc(Br)c(Cl)cc1[C@H](Br)Cc1cccc(Br)c1 97896120 BIPDCPWKCWZNNF-LLVKDONJSA-N 471.389 6.683 50 10 JKGE COc1cc(/C=C2/C(=O)N(CCc3ccccc3)C(=O)C(C#N)=C2C)ccc1OCc1ccc(F)cc1 101338310 JMAKXNIYIBPVSV-PCLIKHOPSA-N 496.538 5.248 50 10 JKGE COc1ccc([C@@H](Br)c2cc(Br)ccc2Cl)cc1Br 109833790 AWFHHBSBBKRYOW-CQSZACIVSA-N 469.398 6.358 50 10 JKGE COc1cc(CBr)cc(Br)c1OCc1ccc(F)c(Br)c1 110377826 GPLHWKASSJVUPH-UHFFFAOYSA-N 482.969 5.833 50 10 JKGE Clc1ccccc1[C@@H](CI)OCc1ccc(Br)cc1 162536170 DFQJMBQNYOLTNN-OAHLLOKOSA-N 451.529 5.795 50 10 JKGE COc1c(C)cc(P(C2=CC=C[C@@H]2[C@H](c2ccccc2)N(C)C)c2cc(C)c(OC)c(C)c2)cc1C 206535172 UJIXMNNVTZWTSC-JDXGNMNLSA-N 499.635 6.743 50 10 JKGE COc1cc(/C=C(/C#N)c2nc(-c3cccc4ccccc34)cs2)ccc1OCc1ccccc1 212006172 CTHLDKQUMXAFAG-JLPGSUDCSA-N 474.585 7.615 50 10 JKGE COc1ccc([C@H](Br)c2ccc(C)c(Br)c2)c(OC)c1Br 224854141 AKQQXQFQCPHAHI-CQSZACIVSA-N 479.006 6.022 50 10 JKGE Cl[C@@H](c1csc(I)c1)c1cc(Br)cc2c1OCC2 228440277 ZBSOGPZUHGHSHF-LBPRGKRZSA-N 455.542 5.378 50 10 JKGE COc1cc(F)c(Br)cc1[C@H](Br)c1ccc(Cl)cc1Br 234914425 CVWUATJGQBFEJO-CQSZACIVSA-N 487.388 6.497 50 10 JKGE CC(=NNC(=O)CSc1nnc(SCc2ccccc2)s1)c1cccc2ccccc12 254387437 YQIVUTINKCYQIG-UHFFFAOYSA-N 464.641 5.616 50 10 JKGE COc1ccc(C=NNC(=O)CSc2nc3ccccc3s2)cc1OCc1ccccc1 254522206 ZRXHMIVNKLQVOM-UHFFFAOYSA-N 463.584 5.126 50 10 JKGE COC(=O)c1cccc(Cn2cc(C=NNC(=O)c3c(O)ccc4ccccc34)c3ccccc32)c1 254756851 KNTSDMCFBKHXCI-UHFFFAOYSA-N 477.520 5.099 50 10 JKGE Cc1ccc(O[C@@H](C)C(=O)NN=Cc2cccc(OCc3ccccc3)c2)c(Br)c1 256017652 YGGVRWNAHCXKAX-SFHVURJKSA-N 467.363 5.254 50 10 JKGE Cc1ccc(Br)c([C@H](Br)c2cc3c(cc2Br)OCC3)c1 308416811 OVMNGIOUGLMDBL-INIZCTEOSA-N 460.991 5.939 50 10 JKGE Cc1cc([C@H](Br)c2ccccc2OCc2ccccc2)sc1Br 309884245 YECWOVAYYYRZAJ-GOSISDBHSA-N 452.211 6.882 50 10 JKGE COc1cc(Br)c(Oc2cc(C)ccc2CBr)cc1Br 686494588 GBAANGULFKYVDV-UHFFFAOYSA-N 464.979 6.216 50 10 JKGE COc1cccc(C[C@H](Cl)c2ccc(I)c(Br)c2)c1 721572544 MGFBLWAXNNGENA-AWEZNQCLSA-N 451.529 5.585 50 10 JKGE O=C(c1cc(Br)c(Br)s1)N1CC[C@H]2CC[C@H](Br)[C@H]1C2 721590477 VUHJISXXFCZQGO-KHQFGBGNSA-N 472.040 5.051 50 10 JKGE Cc1ccccc1NC(=O)/C(C#N)=C\c1cc(Cl)ccc1OCc1ccc(Br)cc1 1084309871 SZORCVCRFZABKU-UNOMPAQXSA-N 481.777 6.536 50 10 JKGE CCOc1ccc(C(=O)NN=Cc2ccc(OCc3ccccc3Cl)c(Br)c2)cc1 1084330757 AHNAEVYPHMCBKJ-UHFFFAOYSA-N 487.781 5.844 50 10 JKGE Cc1c(C(=O)Nc2cccc3ccccc23)oc2c1C(=NNC(=O)c1ccccc1F)CCC2 1772744501 VUGLBYZOZXLUAC-UHFFFAOYSA-N 455.489 5.603 50 10 JKGE O=C(N/N=C1\C(=O)N(Cc2ccccc2Cl)c2ccccc21)c1ccc(OCc2ccccc2)cc1 1860822352 ADSQLCBKBNTBBW-QVTSOHHYSA-N 495.966 5.600 50 10 JKGE Cc1ccc(-n2nc(C(F)(F)F)c3c2OC(N)=C(C#N)[C@@H]3c2cccc(Br)c2)cc1 1865683406 CPGQFAHQKRURKA-INIZCTEOSA-N 475.268 5.180 50 10 JKGE CCc1nn(CC)c2c1[C@@H](c1ccc(OCc3c(Cl)cccc3Cl)c(OC)c1)C(C#N)=C(N)O2 1865689841 XNENXTVIBMQZIM-QFIPXVFZSA-N 499.398 5.578 50 10 JKGE CCCCCOc1ccc([C@@H]2C(C#N)=C(N)Oc3c2c(CCC)nn3-c2ccc(Cl)cc2)cc1 1865690617 XAGSGZUEFNGRIX-XMMPIXPASA-N 477.008 6.265 50 10 JKGE CCCCCOc1ccc([C@@H]2C(C#N)=C(N)Oc3c2c(CC)nn3-c2ccccn2)cc1OCC 1865691525 UVCOYZOHUXBZMR-XMMPIXPASA-N 473.577 5.016 50 10 JKGE CCCOc1ccc([C@H]2C(C#N)=C(N)Oc3c2c(C(F)(F)F)nn3Cc2cccc(Cl)c2)cc1 1865693400 JJYZANUSHHHQGZ-IBGZPJMESA-N 488.897 5.611 50 10 JKGE CCCn1nc(CC)c2c1OC(N)=C(C#N)[C@H]2c1c(OCc2ccccc2)ccc2ccccc12 1865704447 WBIKPMOGRFFONS-SANMLTNESA-N 464.569 5.806 50 10 JKGE CCCC[C@H](NC(=O)C[C@@H](c1ccc(OC)c(C)c1)C(C)C)C(=O)Nc1ccc(SC#N)cc1 1866774946 JTRUAPFNTFZQLP-RPWUZVMVSA-N 481.662 6.020 50 10 JKGE N#CSc1ccc(Nc2cc(N3CCc4ccc([N+](=O)[O-])cc43)nc(-c3cccnc3)n2)cc1 1868565936 QPDVUYSYLWVPIL-UHFFFAOYSA-N 467.514 5.458 50 10 JKGE N#C/C(=C(/O)CN1C(=O)c2ccccc2C1=O)c1nc(-c2ccc(Oc3ccccc3)cc2)cs1 1872753925 UYXHFHMGSCXFCR-GYHWCHFESA-N 479.517 5.691 50 10 JKGE CC(C)N1C(=O)c2ccc(/C(O)=C(\C#N)c3nc(-c4ccc(Cl)s4)cs3)cc2C1=O 1872757928 CQYMDWODJPIGGR-JXAWBTAJSA-N 455.948 5.479 50 10 JKGE Cc1cc(-c2csc(/C(C#N)=C(\O)CN3C(=O)c4ccc(Br)cc4C3=O)n2)ccc1F 1873920941 MZTBDKJBIYCTOE-MNDPQUGUSA-N 498.333 5.109 50 10 JKGE Brc1cc([C@@H](Br)C2CC(Br)C2)sc1Br 1893068024 CTMQPYLDWWHBTR-YXFGPURMSA-N 467.846 5.883 50 10 JKGE C[C@H](Cl)c1nc2c(Br)cc(F)cc2n1[C@]1(C)CCN(Cc2ccccc2)C1 1912678063 PYJWTONHBUWKBX-LHSJRXKWSA-N 450.783 5.859 50 10 JKGE COc1ccc(Br)cc1CN(Cc1ccccc1)[C@@H](CBr)C(C)C 1915269893 PJROEILRIRLONE-IBGZPJMESA-N 455.234 5.879 50 10 JKGE Fc1cc([C@@H](Br)c2sc(Br)cc2Br)cc(F)c1F 1922946381 QNLYOPCRSJIIFA-SECBINFHSA-N 464.926 6.175 50 10 JKGE Brc1cc(Br)c([C@H](Br)C2C3CC4CC(C3)CC2C4)s1 1922954574 PNGWQCMMDMETAX-HUMXCFBVSA-N 469.080 6.781 50 10 JKGE C[C@H](C[C@H](Br)c1c(Br)sc(Br)c1Cl)C(F)(F)F 1923062836 SWDYGCYUQFEFOH-DMTCNVIQSA-N 479.381 6.951 50 10 JKGE Clc1c(Br)sc(Br)c1[C@H](Br)[C@@H]1C[C@@H]2O[C@H]1[C@H]1C[C@@H]21 1923066964 XCOQKHFYBYKKKC-OYXISAAISA-N 477.443 5.786 50 10 JKGE C[C@@H]1OCC[C@H]1[C@@H](Br)c1c(Br)sc(Br)c1Br 1924580666 UGLGQDDOVAKJRD-HBPOCXIASA-N 497.872 5.897 50 10 JKGE Brc1cccnc1C[C@@H](Br)c1cccc(Br)c1Br 1924875136 GRHSBGYEUUIVQX-LLVKDONJSA-N 498.838 6.048 50 10 JKGE Fc1cc(Cl)c(Br)cc1[C@H](Br)c1csnc1Br 1925269554 HIBMRJPTSQVNNS-VIFPVBQESA-N 464.379 5.945 50 10 JKGE Clc1cc(Br)cc([C@H](Br)c2c(Cl)sc(Cl)c2Cl)c1 1925590662 YYOYEKHLIFNBLJ-QMMMGPOBSA-N 469.840 7.609 50 10 JKGE Fc1cc(Cl)c(Br)cc1[C@H](Cl)c1csc(I)c1 1948499147 QRHVBZOPVKSTBS-LLVKDONJSA-N 465.940 6.236 50 10 JKGE Clc1cc(Br)c([C@@H](Cl)c2ccc(Br)cc2Br)s1 1948822492 DUKHXACPDXJGIA-JTQLQIEISA-N 479.846 7.017 50 10 JKGE FC(F)C(F)(F)C[C@H](Br)c1c(Br)sc(Br)c1Cl 2001805633 IDSUWLQFAVEQDE-REOHCLBHSA-N 483.344 6.653 50 10 JKGE CC(C)(C)OC(=O)NCCSSCCNCc1c(Cl)cccc1Br 2010826834 IAODIKVNBYIPHM-UHFFFAOYSA-N 455.871 5.098 50 10 JKGE Cc1cc(Br)c([C@H](Br)c2cc(Cl)c(C)c(Br)c2)s1 2048504160 SYXUQMBSPKEFHM-GFCCVEGCSA-N 473.455 7.028 50 10 JKGE C[C@H](CCCCCBr)NC(=O)c1csc(Br)c1Br 2054160223 AXGSRPGUGHZXSF-MRVPVSSYSA-N 462.045 5.347 50 10 JKGE CC12CCC([C@H](Br)c3cc(Br)sc3Br)(CC1)CO2 2069712443 NIXPXNDEUZFPMN-QFWMXSHPSA-N 459.041 6.058 50 10 JKGE Fc1ccc(-n2nc(CBr)c(Br)c2C(F)(F)F)cc1C(F)(F)F 2079232905 IIKULVSUZCCZJV-UHFFFAOYSA-N 469.980 5.706 50 10 JKGE COc1c(C)cc(Cn2nc(CBr)c(Br)c2C(F)(F)F)cc1C 2079233511 XNUNJAUSQSNKCQ-UHFFFAOYSA-N 456.100 5.233 50 10 JKGE Cc1sc(Br)c([C@@H](Br)c2ccc(Br)cc2Cl)c1C 2082886015 UHQLMYKQGGXEDE-LBPRGKRZSA-N 473.455 7.028 50 10 JKGE Fc1cc(Oc2cccc(Br)c2CBr)cc(F)c1Br 2092542647 RKQDUKPLCAYTEJ-UHFFFAOYSA-N 456.906 6.177 50 10 JKGE Cc1cc(Br)cc([C@H](Br)c2cc(C3CC3)c(Br)s2)c1 2094674666 XVZSZWIMGDVASR-AWEZNQCLSA-N 465.048 6.943 50 10 JKGE CN(Cc1ccccc1)CC1CCN(c2c(CCl)ccc(Br)c2Cl)CC1 2098116922 LTYKSRBMDZJYHN-UHFFFAOYSA-N 456.255 6.190 50 10 JKGE FC1(F)CCC2(CC1)C[C@@H]2[C@@H](Br)c1cc(Br)sc1Br 2107091131 IEHMLWPCSRJDBI-SCZZXKLOSA-N 479.022 6.925 50 10 JKGE Brc1cccc(Br)c1C[C@H]1CCCCCCC[C@H]1Br 2112485955 UTXIDRCTWWILLE-TZMCWYRMSA-N 453.056 6.878 50 10 JKGE FC(F)c1ccc([C@H](Br)c2c(Cl)sc(Br)c2Cl)cc1 2116026139 RSDXIEJYDFVAGY-QMMMGPOBSA-N 450.957 7.239 50 10 JKGE C[C@H]1Cc2cc([C@H](Cl)c3cc(I)sn3)cc(Br)c2O1 2120030640 XOOWWBZGBOBAMP-QTTZVWFDSA-N 470.557 5.162 50 10 JKGE BrC[C@@H]1C[C@@H]2CC[C@H](C1)N2Cc1c(Br)cccc1Br 2128151923 MHCDYCGISANDMX-ZSBIGDGJSA-N 452.028 5.350 50 10 JKGE COc1cc(F)c([C@@H](Br)c2cc(C)c(Br)o2)cc1Br 2138149085 WLAYKLPLGRDESF-GFCCVEGCSA-N 456.931 5.745 50 10 JKGE Cc1c(Br)ccc([C@@H](Br)CCOCC(F)(F)F)c1Br 2138848584 BAMXKFARNXOCDZ-JTQLQIEISA-N 468.933 5.925 50 10 JKGE Cc1c(Br)ccc([C@@H](Cl)c2ccc(Br)cc2F)c1Br 2138862683 KGIABYKJBUWZDT-AWEZNQCLSA-N 471.389 6.750 50 10 JKGE Fc1cccc(F)c1C[C@@H](Cl)c1ccc(Br)cc1I 2142279695 TUYPSZRHMXEIPK-LLVKDONJSA-N 457.483 5.855 50 10 JKGE Fc1cc2c(cc1I)nc(CCCl)n2C1(CCOCc2ccccc2)CC1 2146505967 ILWVEGZOSZDOFZ-UHFFFAOYSA-N 498.767 5.657 50 10 JKGE O=[N+]([O-])c1sc(CBr)cc1N1CCC2(CCN(Cc3ccccc3)C2)CC1 2163335054 PZBPBIBSTDUJGC-UHFFFAOYSA-N 450.402 5.044 50 10 JKGE Brc1ccc(Br)c(CC[C@H](Br)CN2CCCCCC2)c1 2175147998 UEHMLSFOWPBAKS-HNNXBMFYSA-N 468.071 5.784 50 10 JKGE Fc1ccc(C[C@@H](CBr)Cc2ccc(I)c(Cl)c2)cc1 2208044518 MTTSBDPWVBOCBF-CYBMUJFWSA-N 467.547 5.880 50 10 JKGE CCN(C(=O)c1cc(Br)c(Br)s1)[C@H]1CCC[C@@H]1Br 2217698284 WPNGDHGEBYRGBX-CBAPKCEASA-N 460.029 5.051 50 10 JKGE C[C@@H](COCc1ccccc1)Cn1c(CCl)nc2cc(Br)c(Br)cc21 2218662710 YESHXISJKWEIEL-CYBMUJFWSA-N 486.635 6.153 50 10 JKGE Cc1sc([C@H](Cl)c2ccc(Br)cc2Br)c(Br)c1C 2221835386 IHZKUZVYNQKDFR-GFCCVEGCSA-N 473.455 6.981 50 10 JKGE Brc1ccc(Br)c([C@H](Br)[C@@H]2C[C@H]3CCC[C@H](C3)C2)c1 2225311211 MOJDLVKCUXZFSL-KZTGVZKYSA-N 451.040 6.864 50 10 JKGE Cc1cc(Br)c([C@H](Br)c2cc(Cl)ccc2Cl)c(C)c1Cl 2232527372 CTJAMSYERGGMKY-CQSZACIVSA-N 457.420 7.510 50 10 JKGE CCc1nc([C@@H](Cl)c2c(Br)cc(C)c(Cl)c2C)c(Br)s1 2232527828 FPUVWOPZRLMVJN-LBPRGKRZSA-N 458.046 6.829 50 10 JKGE Cc1ccc(Br)c([C@@H](Cl)c2c(Br)cc(C)c(Br)c2C)c1 2235603370 IXFFPLCSTRYRCS-MRXNPFEDSA-N 481.453 7.228 50 10 JKGE COc1cc(Br)c([C@@H](Br)c2ccc(Br)c(F)c2)cc1C 2236010276 QBGZVGXAARDHOA-HNNXBMFYSA-N 466.970 6.152 50 10 JKGE Cc1c(Cl)cc([C@H](Br)Cc2cc(Cl)cc(Cl)c2)cc1Br 2240879587 IJOROLHPDSYZJE-CQSZACIVSA-N 457.420 7.396 50 10 JKGE CCN(C[C@](C)(CI)OCC[C@H]1CCCCC12CC2)C(=O)OC(C)(C)C 2264863901 ZHSLCVWIPVHASK-XLIONFOSSA-N 479.443 5.814 50 10 JKGE COc1ccc([C@@H](Cl)c2cc(F)cc(Br)c2)cc1I 2269539977 FWYBADZILDVHAX-CQSZACIVSA-N 455.492 5.530 50 10 JKGE Fc1cc(C[C@@H](Br)c2c(Cl)sc(Br)c2Cl)ccc1Cl 2277903780 XHNWSDYIOPLLET-ZCFIWIBFSA-N 467.412 7.289 50 10 JKGE Brc1cc(Br)cc(C[C@@H](Br)C[C@H]2CCCOCC2)c1 2277962628 JOLISEAOOWYNFH-AAEUAGOBSA-N 455.028 5.724 50 10 JKGE Clc1cc(Cl)cc([C@H](Br)c2cc3sc(Br)cc3s2)c1 2278017092 CUODNRPFWFBADK-ZDUSSCGKSA-N 457.039 7.516 50 10 JKGE O=C(c1cc(Br)c(Br)s1)N1CCC(CCCCBr)CC1 2283124326 REUPZVUTODDZPK-UHFFFAOYSA-N 488.083 5.691 50 10 JKGE Fc1cc(Br)c(F)c(Br)c1[C@H](Br)[C@H]1CCC[C@@H]1C(F)F 2288488247 GGFASBHZGMJZJI-JFWOZONXSA-N 482.935 6.607 50 10 JKGE Fc1ccc([C@@H](Br)c2c(F)cc(Br)c(F)c2Br)c(Cl)c1 2288494480 HMQAOMYFJXMBLJ-LLVKDONJSA-N 493.342 6.767 50 10 JKGE CC1(C)CO[C@@H](C[C@@H](Br)c2c(F)cc(Br)c(F)c2Br)C1 2288497482 UAVXAYOAGGJKCV-JGVFFNPUSA-N 476.981 6.131 50 10 JKGE N#CC(=Cc1cccc(OCc2ccc(Cl)c(Cl)c2)c1)C(=O)NCc1ccc2c(c1)OCO2 2295672620 BPMVJWWUEWZFJB-UHFFFAOYSA-N 481.335 5.524 50 10 JKGE CCOC(=O)c1ccc(-c2ccc(C=C(C#N)C(=O)Nc3cc(Cl)ccc3Cl)o2)cc1 2296803787 QYEAPNNOAUTLQJ-UHFFFAOYSA-N 455.297 5.976 50 10 JKGE N#CC(=Cc1ccc(-c2ccc([N+](=O)[O-])cc2)o1)C(=O)Nc1ncc(Cc2ccc(Cl)cc2)s1 2296819008 KRZPRQGGDONYRX-UHFFFAOYSA-N 490.928 6.101 50 10 JKGE CC(C)C[C@@H]1C[C@H]1[C@H](Br)c1cc(Br)ccc1OCc1ccccc1 2299500245 DIISEPOTUBSRQO-BLIXFSHQSA-N 452.230 7.146 50 10 JKGE FC1(F)CC[C@H]1C[C@@H](Br)c1cc(Br)ccc1OCc1ccccc1 2299530531 MVWDEGXMPHJXJM-WMLDXEAASA-N 460.156 6.900 50 10 JKGE CCCC(CBr)(CBr)Cc1ccc(Cl)c(I)c1 2300268701 ADVHWLREBLLATI-UHFFFAOYSA-N 494.436 6.063 50 10 JKGE Fc1ccc([C@@H](Cl)c2sc(Cl)cc2I)c(Br)c1 2300955396 LSJNBTDJCIPONA-SNVBAGLBSA-N 465.940 6.236 50 10 JKGE Cc1cc([C@@H](Br)c2ccc(Cl)cc2I)sc1Cl 2301795162 SHCIFANXCLONCV-NSHDSACASA-N 461.977 6.452 50 10 JKGE Cc1ccc(NC(=O)C(C#N)=Cc2cc(C)n(-c3ccc(OCc4ccccc4)cc3)c2C)cc1 2313567455 HQFWRUUNVXVTMX-UHFFFAOYSA-N 461.565 6.527 50 10 JKGE COc1cc(C=C(C#N)C(=O)Nc2cccc(Cl)c2Cl)cc(Cl)c1OCc1ccccc1 2313571180 PEDKSMMMANTNKM-UHFFFAOYSA-N 487.770 6.780 50 10 JKGE Cc1ccc(C(C)C)c(OCC(=O)NN=C2C(=O)N(CC=Cc3ccccc3)c3ccccc32)c1 2313649703 YNSZMLZYKDIPLZ-UHFFFAOYSA-N 467.569 5.078 50 10 JKGE CCOc1cc(C=C(C#N)C(=O)Nc2c(C)cccc2C)ccc1OCc1ccc(Cl)cc1 2313667919 YGJJQGLOLOAJDH-UHFFFAOYSA-N 460.961 6.480 50 10 JKGE Cc1ccc(Cl)cc1NC(=O)C(C#N)=Cc1cccc(OCc2ccc(Cl)cc2Cl)c1 2313738663 NMBZDNGTBZSXMP-UHFFFAOYSA-N 471.771 7.080 50 10 JKGE CCOC(=O)c1c(NC(=O)C(C#N)=Cc2ccc(-c3cccc(F)c3)o2)sc2c1CC[C@H](CC)C2 2314571240 CHLRXQBLBLYUTR-INIZCTEOSA-N 492.572 6.384 50 10 JKGE CCCCCCN1C(=O)C(=Cc2ccc(OCc3ccc(F)cc3)c(OC)c2)C(C)=C(C#N)C1=O 2314610168 DGODVQAANOSPTN-UHFFFAOYSA-N 476.548 5.586 50 10 JKGE CC1=C(C#N)C(=O)N(Cc2ccccc2Cl)C(=O)C1=Cc1ccc(-c2ccc([N+](=O)[O-])cc2)o1 2314620032 JNJHUOYGUKKPBY-UHFFFAOYSA-N 473.872 5.301 50 10 JKGE C=CCOc1cccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)C=Cc4ccc(OC)cc4)ccc32)c1 2314634694 ASMPUMNKWCOTJY-NDEPHWFRSA-N 480.520 5.097 50 10 JKGE CCCCCOc1ccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)C=Cc4ccccc4)ccc32)cc1 2314640674 LEVPIQJLQTYEDI-GDLZYMKVSA-N 480.564 6.093 50 10 JKGE Clc1ccc(C[C@@H](Br)c2ccc(Cl)cc2I)cc1 2317769494 VSPKFTHUYGHACQ-CYBMUJFWSA-N 455.948 6.277 50 10 JKGE CCN(C[C@](C)(CI)OCC[C@H]1CC[C@H]1C1CC1)C(=O)OC(C)(C)C 2319607614 AIUBTKAWIZVNBS-UWVAXJGDSA-N 465.416 5.280 50 10 JKGE BrCc1cc(Br)c(OC[C@@H]2C[C@H]3CC[C@@H]2O3)c(Br)c1 2329963047 SJTXUPLUTCFYFD-CWSCBRNRSA-N 454.984 5.053 50 10 JKGE CCOC(=O)c1cc(-c2ccccc2)sc1NC(=O)C(C#N)=Cc1ccc(OCCOC)cc1 2331123713 KKHSUMZAQRZRNZ-UHFFFAOYSA-N 476.554 5.163 50 10 JKGE CCOc1ccc(-c2csc(C(C#N)=C(O)C=Cc3ccc(OC(C)=O)c(OC)c3)n2)cc1 2331305584 WSIBLZVDGVXVOT-UHFFFAOYSA-N 462.527 5.649 50 10 JKGE CCCCCCCOc1ccc(-c2csc(C(C#N)=C(O)Cc3ccc(F)c(C)c3)n2)cc1 2331344834 QHJJHTCSTVQACZ-UHFFFAOYSA-N 464.606 7.642 50 10 JKGE COc1ccc(C(C)(C)C)cc1-c1csc(C(C#N)=C(O)CNS(=O)(=O)c2ccc(C)cc2)n1 2331351425 UFXGABSXPTURPA-UHFFFAOYSA-N 497.642 5.196 50 10 JKGE CCOc1ccc(-c2csc(C(C#N)=C(O)Cc3cccc4ccccc34)n2)c(OCC)c1 2331386999 MLLVRVDGYBJNDW-UHFFFAOYSA-N 456.567 6.796 50 10 JKGE CCOc1cc(C=C(C#N)c2nc(-c3ccc(OC)c(OC)c3)cs2)cc(Br)c1O 2331417479 SUABZDLQXCKCFW-UHFFFAOYSA-N 487.375 5.758 50 10 JKGE COc1cc(C=C(C#N)c2nc(-c3ccc(F)cc3F)cs2)ccc1OCCCc1ccccc1 2331436469 XIPRPOUUOUHVEQ-UHFFFAOYSA-N 488.559 7.173 50 10 JKGE CCOc1cc(C=C(C#N)c2nc(-c3cccs3)cs2)ccc1OCc1ccccc1C 2331450822 DWAOIWCBCLBLCS-UHFFFAOYSA-N 458.608 7.222 50 10 JKGE Cc1sc(Br)cc1[C@@H](Cl)c1c(F)cc(Cl)c(Br)c1Cl 2335375352 XOWPVOCZCDPXFL-LLVKDONJSA-N 467.412 7.356 50 10 JKGE Fc1cccc(F)c1C[C@@H](Br)c1cc(Br)ccc1OCc1ccccc1 2336075577 QIYDLCOLUOKQBV-GOSISDBHSA-N 482.162 6.985 50 10 JKGE COc1c(Br)cc(C)c([C@H](Cl)c2ccsc2Br)c1Br 2339640000 SZYCAKHYKNLYNS-LLVKDONJSA-N 489.454 6.681 50 10 JKGE Cl[C@H]1CCC[C@]12CCN(Cc1ccc(I)c(Br)c1)C2 2349861429 XILUKRLAISSTCC-LSDHHAIUSA-N 454.577 5.037 50 10 JKGE CCC[C@@H](CC)CC(CBr)(CBr)c1cccc(Br)c1 2353449895 KENBZKXYTKCZCK-CYBMUJFWSA-N 455.072 6.693 50 10 JKGE CC[C@@H](C)NCc1cc(Br)cc(Br)c1OC[C@@H]1C[C@H]1Br 2358922886 OFTUCPRYPLZXNB-SUZMYJTESA-N 470.043 5.262 50 10 JKGE Cc1cc(Br)c(C)c([C@@H](Br)[C@@H]2CCC[C@H]2C(F)F)c1Br 2359498779 HARHHLCMRLRDHW-RULNRJAQSA-N 475.009 6.946 50 10 JKGE Fc1cc(Cl)c(Br)c(Cl)c1[C@H](Br)[C@@H]1CCC[C@@H]1C(F)F 2360436754 PMWIRWSSFQMVHI-GOZTUDAPSA-N 454.939 7.012 50 10 JKGE CC12CC(C1)[C@@H](COc1c(Br)cc(CBr)cc1Br)CO2 2363017293 YUEVCFPXMKUEHH-VTWZXRTESA-N 469.011 5.300 50 10 JKGE Cc1cc(Br)c(F)c(Br)c1[C@@H](Br)c1ccc([N+](=O)[O-])o1 2365180357 SAEJOEJRIACJSE-JTQLQIEISA-N 471.902 5.645 50 10 JKGE Clc1ccc(COc2nc3sccn3c2CBr)c(I)c1 2365648679 XBTZYQWRPMPQGY-UHFFFAOYSA-N 483.556 5.128 50 10 JKGE CC(C)(C)CC(C)(C)c1ccc(OCC(=O)N/N=C/c2ccc(OC(=O)c3ccccc3)cc2)cc1 3143648 JSBPIYFKJJNLIQ-ZCTHSVRISA-N 486.612 6.149 50 10 JKGE Cc1ccccc1C(=O)Nc1ccc(C(=O)N/N=C\c2ccccc2OCc2ccccc2)cc1 33155098 BQZRTOQLVSNAJV-FSGOGVSDSA-N 463.537 5.590 50 10 JKGE CCSc1ccc(-c2nn(-c3ccccc3)cc2/C=C(\C#N)C(=O)NCc2ccco2)cc1 33516916 VIZWVPFYJXVOFS-HMMYKYKNSA-N 454.555 5.468 50 10 JKGE N#C/C(C(=O)NCc1ccccc1)=C1\S[C@@H](Cc2cccc(Cl)c2)C(=O)N1c1ccc(F)cc1 33733428 KHADTKVHOWSOBV-GPSDDGMOSA-N 491.975 5.222 50 10 JKGE N#C/C(=C/c1cc(Cl)c(OCc2ccccc2Cl)c(Cl)c1)c1nc2ccccc2s1 34688984 SQJBUWKIIZZIAJ-SXGWCWSVSA-N 471.796 7.900 50 10 JKGE COCCCNC(=O)/C(C#N)=C/c1cn(-c2ccccc2)nc1-c1cccc(OCc2ccccc2)c1 35445981 FDGULOIMXRPSGE-XIEYBQDHSA-N 492.579 5.178 50 10 JKGE COc1ccc(OCC(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@@H]3c2ccc(C(C)C)cc2)cc1 38649494 SPOJCMKPKFUFIU-HHHXNRCGSA-N 470.525 5.021 50 10 JKGE CCCCOc1ccccc1[C@H]1C(C#N)=C(N)Oc2cc(OC(=O)Cc3ccc(Cl)cc3)ccc21 38683135 UUJXQBJPMIGDAV-HHHXNRCGSA-N 488.971 5.885 50 10 JKGE CCCCOc1cccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4ccc(C(C)(C)C)cc4)ccc32)c1 38685042 SXYLNRHQTPVGHW-MUUNZHRXSA-N 496.607 6.600 50 10 JKGE CCCNC(=O)/C(C#N)=C/c1ccc(OC(=O)COc2ccc(-c3ccc(C)cc3)cc2)c(OC)c1 40881669 OAMUQXMHFPZHHM-LFVJCYFKSA-N 484.552 5.088 50 10 JKGE CCCCCCOc1ccc(/C=N/NC(=O)CSc2nc(-c3ccccc3)cs2)cc1OC 40924395 WRYHRGNIKRDOTQ-WGOQTCKBSA-N 483.659 6.020 50 10 JKGE CCOc1ccc2ccccc2c1/C=N/NC(=O)COc1ccc(Br)cc1C(C)C 40951068 LTBYKZUMVGMOPI-VULFUBBASA-N 469.379 5.654 50 10 JKGE N#C/C(=C/c1cn(Cc2ccc(Cl)cc2)c2ccc(Br)cc12)C(=O)NC[C@H]1CCCO1 59087148 PTRRGXASGLFMCO-SYEXPRJDSA-N 498.808 5.308 50 10 JKGE Cc1ccc(NC(=O)/C(C#N)=C/c2cccc(OCc3ccc(Br)cc3)c2)c(C)c1 59201763 XYPWWFAAZCXFLA-FYJGNVAPSA-N 461.359 6.191 50 10 JKGE C=CCc1cc(/C=N/NC(=O)c2cc3cc(Br)ccc3o2)ccc1OCc1ccccc1 59305143 PKEKCTHEMZEEQJ-LQKURTRISA-N 489.369 6.267 50 10 JKGE CC(C)OC(=O)c1ccsc1NC(=O)/C(C#N)=C\c1cn(Cc2ccccc2F)c2ccccc12 96438752 VTSDZKCBTZUXRD-UYRXBGFRSA-N 487.556 6.001 50 10 JKGE Fc1cc(Br)c(Cl)cc1[C@H](Br)c1cc2c(s1)CCSC2 97896030 ZTEBYKXUJMGIOO-AWEZNQCLSA-N 456.627 6.577 50 10 JKGE CC(C)c1ccc(N2C(=O)[C@H](Cc3ccccc3)S/C2=C(/C#N)C(=O)Nc2ccccc2)cc1 101244458 BQUPZLVALCWBHP-UZEPBSNMSA-N 467.594 5.875 50 10 JKGE Cc1ccc(-c2csc(/C(C#N)=C\Nc3ccc(Cl)cc3C(=O)c3ccccc3)n2)cc1C 102421891 KDEABLYCVUNMPY-QNGOZBTKSA-N 469.997 7.288 50 10 JKGE Cc1c(Br)cccc1[C@H](Cl)c1cc(Br)sc1Br 115161357 SCOJHDMSEYIPDW-NSHDSACASA-N 459.428 6.672 50 10 JKGE Cc1sc(Br)cc1[C@@H](Br)c1ccc(Br)cc1Cl 115223385 ZOSAVJGICVBBEZ-LBPRGKRZSA-N 459.428 6.719 50 10 JKGE CCn1nc(C)c(Br)c1C[C@H](CBr)c1ccccc1Br 118867603 VLNQFZFXBUIGPZ-LLVKDONJSA-N 465.027 5.458 50 10 JKGE Clc1ccc(C[C@H](Br)c2cc(Br)c(Br)s2)cc1Cl 128295659 KZJOGOHKBRLQSN-ZETCQYMHSA-N 493.873 7.259 50 10 JKGE COc1cccc(F)c1[C@H](Br)c1cc(Br)c(C)cc1Br 128739902 FCSXHNNOABGAKJ-OAHLLOKOSA-N 466.970 6.152 50 10 JKGE Clc1cc([C@@H](Br)c2cc(Br)c(Br)s2)c(Cl)s1 128866254 FBIMLVQERYUXKX-SSDOTTSWSA-N 485.875 7.126 50 10 JKGE O=S(=O)(Nc1ccc(CBr)cc1)c1c(Cl)cc(Br)cc1Cl 136883901 LHTROOKYUQBHPQ-UHFFFAOYSA-N 474.001 5.452 50 10 JKGE Brc1ccc(CO[C@@H](CI)c2ccc(Br)cc2)cc1 162530580 SDHDHHGNGOLMKW-HNNXBMFYSA-N 495.980 5.905 50 10 JKGE CCOc1cc(/C=N\NC(=O)c2ccc3[nH]c4c(c3c2)CCCC4)cc(Cl)c1OC(C)C 169890123 JJPZQTZAHRVMMS-VYYCAZPPSA-N 453.970 5.650 50 10 JKGE COc1ccccc1[C@@H]1C(C#N)=C(N)Oc2cc(OC(=O)/C=C\c3ccc(C(C)(C)C)cc3)ccc21 205641468 VCJLGNVZLVEXSO-CSHDCIMHSA-N 480.564 5.830 50 10 JKGE CCCOc1ccc([C@H](Br)c2ccc(Br)c(F)c2)cc1Br 229006579 PRRZZQQSBRTXQY-INIZCTEOSA-N 480.997 6.624 50 10 JKGE Brc1cc([C@@H](Br)c2ccc(Br)c3ccccc23)cs1 232484067 RJATVAGXTMYHLM-OAHLLOKOSA-N 461.016 6.911 50 10 JKGE COc1cc(F)c(Br)cc1[C@@H](Br)c1ccc(C)c(Br)c1 234864560 RGWPEOULYXSEID-HNNXBMFYSA-N 466.970 6.152 50 10 JKGE Clc1cc([C@H](Br)c2cc(Br)sc2Br)c(Cl)s1 236071178 UHEKAMFHKFAMLL-SSDOTTSWSA-N 485.875 7.126 50 10 JKGE Fc1ccc(C[C@@H](Br)c2cc(Cl)ccc2I)cc1F 236153371 HRZZSZMIWJHRAP-LLVKDONJSA-N 457.483 5.902 50 10 JKGE COc1cc(C=NNC(=O)c2cc3c(ccc4ccccc43)o2)ccc1OCc1ccccc1Cl 252605155 GGQBVXHFTRXGJK-UHFFFAOYSA-N 484.939 6.591 50 10 JKGE CC(=NNC(=O)c1sc2cc(Cl)ccc2c1Cl)c1cccc(NC(=O)c2cccnc2)c1 252627883 SDLHKJWEUHMRBG-UHFFFAOYSA-N 483.380 6.009 50 10 JKGE CCOC(=O)c1c(-n2c(C)cc(C=NNC(=O)c3cc4ccccc4o3)c2C)sc2c1CCCC2 254386426 RUFCYYMQRAPFIW-UHFFFAOYSA-N 489.597 5.721 50 10 JKGE ClCc1nc2cc(I)ccc2n1-c1cc(Cl)cc(Br)c1 308318508 LMOQANXQAVZTMC-UHFFFAOYSA-N 481.946 5.785 50 10 JKGE BrCc1ccc(N2C[C@H]3CCN(Cc4ccccc4)C[C@@H]3C2)c(Br)c1 311206264 JMAOFQRFXCMXAD-RTBURBONSA-N 464.245 5.302 50 10 JKGE C[C@@H](Cl)c1nc2cc(I)ccc2n1[C@@H]1CCCN(Cc2ccccc2)C1 311252133 LSLZJYWZEUKZGN-CRAIPNDOSA-N 479.793 5.778 50 10 JKGE C[C@H](Cl)c1nc2ccccc2n1-c1cc(I)ccc1Br 312656943 VTYDKTUTJXXAJU-VIFPVBQESA-N 461.528 5.692 50 10 JKGE COc1cc(C)c(Br)cc1[C@@H](Br)c1ccccc1OCc1ccccc1 388526374 VSRQGXIEIJMKFP-QFIPXVFZSA-N 476.208 6.829 50 10 JKGE Cc1cc(C)c([C@H](Br)c2cc(Br)oc2C)c(C)c1Br 396455824 AXDJETVWHUBCRO-OAHLLOKOSA-N 450.996 6.523 50 10 JKGE CC(C)(C)OC(=O)NCCN1C[C@H](c2ccccc2CO[Si](C)(C)C(C)(C)C)Nc2ccccc21 616683582 HLTAGDLWYZCPIX-XMMPIXPASA-N 497.756 6.706 50 10 JKGE COCc1cc(Br)c([C@@H](Br)c2cc(C)cc(Br)c2)s1 688138867 OMMJTSLWOSLCFG-ZDUSSCGKSA-N 469.036 6.212 50 10 JKGE COc1ccc2nc(CCl)n(CC3(N(Cc4ccccc4)Cc4ccccc4)COC3)c2c1 705782657 IMTKKDHFJVTQPC-UHFFFAOYSA-N 461.993 5.255 50 10 JKGE BrCc1ccc(Br)cc1N1C[C@H]2CC[C@H]1[C@H]1CN(Cc3ccccc3)C[C@@H]21 705884318 YVTDJQCIHWNDHI-GBAJDQEWSA-N 490.283 5.691 50 10 JKGE CN(CC1CCN(Cc2ccccc2)CC1)c1ccc(Br)cc1CBr 720016583 KVIBRTQVYFYVAN-UHFFFAOYSA-N 466.261 5.692 50 10 JKGE Cc1oc(Br)cc1[C@H](Br)c1cc(Br)cc2c1O[C@@H](C)C2 720027205 PGSSSJZSOTXMLV-WJWGPLDTSA-N 464.979 5.921 50 10 JKGE CC(CC(=O)Nc1ccc(Cl)cc1C(F)(F)F)=NNC(=O)c1cc2ccccc2cc1O 725396013 GSRHXENAXKEBDJ-UHFFFAOYSA-N 463.843 5.352 50 10 JKGE N#C/C(=C\c1ccc(-c2cccc(-n3cnnn3)c2)o1)c1nc(-c2ccc(Cl)cc2)cs1 1081127858 SQXFAFKZLIOMDA-GZTJUZNOSA-N 456.918 5.763 50 10 JKGE O=C(CSCc1cccc(Cl)c1)NN=Cc1ccc(OCc2cccc3ccccc23)cc1 1084022233 NBOTVSHDTGBYQD-UHFFFAOYSA-N 475.013 6.456 50 10 JKGE Cc1cc(C=NNC(=O)CSCc2ccc([N+](=O)[O-])cc2)c(C)n1-c1cc(Cl)cc(Cl)c1 1084296166 PBJCPTJCGAONKY-UHFFFAOYSA-N 491.400 5.693 50 10 JKGE O=C(COc1ccc2c(c1Br)CCCC2)NN=Cc1c(Cl)cccc1Cl 1084482658 KGWCTEYCLSTCHD-UHFFFAOYSA-N 456.167 5.164 50 10 JKGE CC1(C)[C@@H](C=C(Cl)Cl)[C@H]1C(=O)NN=C(c1ccc(Cl)cc1)c1ccc(Cl)cc1 1088668448 OVUQNGKEDDOPAT-WMZOPIPTSA-N 456.200 6.453 50 10 JKGE Cc1ccc(NC(=O)c2oc3c(c2C)C(=NNC(=O)Cc2coc4c(C)c(C)ccc24)CCC3)cc1 1772752223 ZRWINYQCAINNJF-UHFFFAOYSA-N 483.568 5.911 50 10 JKGE N#CC1=C(N)Oc2c(c(-c3ccccc3)nn2Cc2ccc(Cl)cc2)[C@H]1c1cccc2ccccc12 1865682409 NRWQJCNRMDCWHY-SANMLTNESA-N 488.978 6.623 50 10 JKGE CCCCCOc1ccc([C@H]2C(C#N)=C(N)Oc3c2c(-c2ccc(OC)cc2)nn3CC)cc1OC 1865696008 JOIXMDVKIUXVSE-DEOSSOPVSA-N 488.588 5.374 50 10 JKGE N#CSc1ccc(NC(=O)[C@H](Cc2ccccc2)NC(=O)c2cccc(-n3cccc3)c2)cc1 1866615984 NPOCRNQKERKOCD-VWLOTQADSA-N 466.566 5.030 50 10 JKGE C[C@@H](CC(=O)N[C@H](C(=O)Nc1ccc(SC#N)cc1)c1ccccc1)c1cccc(Cl)c1 1867186771 GUEKXHKBDWAGHH-XDHUDOTRSA-N 463.990 5.903 50 10 JKGE CCCc1nc(Nc2ccc(SC#N)cc2)cc(N2CCC(Oc3ccc(OC)cc3)CC2)n1 1868389490 WEPNLPKMLJXTLE-UHFFFAOYSA-N 475.618 5.802 50 10 JKGE COc1cccc(Oc2c(C(F)(F)F)oc3cc(OCc4cccc(CCl)c4)ccc3c2=O)c1 1871437425 XEEBBJROBTVNCN-UHFFFAOYSA-N 490.861 6.931 50 10 JKGE CCOc1ccc(-c2csc(/C(C#N)=C(\O)CCCOc3ccc4ccccc4c3)n2)cc1 1872747917 ZASPQIWECZASJQ-LCUIJRPUSA-N 456.567 7.014 50 10 JKGE Cc1cc(C)c(-c2csc(/C(C#N)=C(\O)CCCOc3ccc(Cl)cc3Cl)n2)c(C)c1 1872755722 BPECOMZKZNZAPM-UZYVYHOESA-N 473.425 7.694 50 10 JKGE COc1cc(/C=C(\C#N)c2nc(C(C)(C)C)cs2)ccc1OC(=O)c1ccc(Cl)cc1Cl 1872790423 HTVXDJUUAAVJKR-OQLLNIDSSA-N 487.408 7.039 50 10 JKGE CCCCCCCOc1ccc(-c2csc(/C(C#N)=C/c3ccc(O)c(OCC)c3)n2)cc1 1872791978 XYCGYNKSMFEBNX-CJLVFECKSA-N 462.615 7.328 50 10 JKGE COc1cc(C)c(-c2csc(/C(C#N)=C/c3ccc(OCc4ccccc4Cl)cc3)n2)cc1C 1872795239 VGZGGBNUEOVTOI-HYARGMPZSA-N 487.024 7.732 50 10 JKGE Cc1c(Br)sc([C@@H](Br)C[C@H](C)C(F)(F)F)c1Br 1922912748 QGIAEFNGMFALNB-NJGYIYPDSA-N 458.963 6.606 50 10 JKGE Clc1c(Br)sc(Br)c1[C@@H](Cl)c1cccc2c1CCCC2 1923048454 HFRCSPUMKCYOMM-LBPRGKRZSA-N 455.042 7.134 50 10 JKGE FC1(F)CCC[C@H]1[C@@H](Br)c1c(Br)sc(Br)c1Cl 1923050514 WGKQOTCDQCYMIA-UJURSFKZSA-N 473.402 6.798 50 10 JKGE C[C@H](c1ccncc1Br)[C@@H](Cl)c1ccc(F)cc1I 1924043896 QBBWBHFGDVINRT-XLKFXECMSA-N 454.508 5.671 50 10 JKGE COc1cccc(Br)c1[C@@H](Br)[C@H](C)c1ccncc1Br 1924064158 AHTOBINYIYIMFN-PSLIRLAXSA-N 463.995 5.855 50 10 JKGE C[C@@H]1C[C@@H]1[C@H](Br)c1c(Br)sc(Br)c1Br 1924575722 DYYHSGDMMNENJJ-IWGUZYHVSA-N 467.846 6.128 50 10 JKGE CCN(CC)CCN(Cc1ccccc1)c1ccc(CBr)cc1Br 1946813830 XNJBPFVLLCDKRA-UHFFFAOYSA-N 454.250 5.692 50 10 JKGE CC(C)(C)c1ccc([C@@H](Br)c2csc(Br)c2Br)s1 2032959098 UFHSGFUSORCPCE-JTQLQIEISA-N 473.093 7.116 50 10 JKGE CC1(C)CN(c2cc(Br)cc(F)c2CBr)CCN1Cc1ccccc1 2051132114 VHJUEBTXRKLBLC-UHFFFAOYSA-N 470.224 5.584 50 10 JKGE C[C@H]1O[C@H](Sc2ccccc2)[C@@H](O[Si](C)(C)C(C)(C)C)[C@H]1O[Si](C)(C)C(C)(C)C 2080608401 OFGJJVPXPJJODQ-BVOGOJNSSA-N 454.825 7.304 50 10 JKGE Cc1sc(Br)c([C@H](Cl)c2ccc(I)c(Cl)c2)c1C 2082873682 MOOYLFNPOGFLRF-GFCCVEGCSA-N 476.004 6.714 50 10 JKGE CCOc1ccc([C@@H](Br)c2ccc(I)c(Cl)c2)s1 2086380212 CYYAZUXTIKDNEZ-ZDUSSCGKSA-N 457.558 5.889 50 10 JKGE Cc1cc(Br)c([C@@H](Br)[C@H]2C(F)(F)C23CCC3)cc1Br 2093466046 QJHGZDKRWXLYGA-VXGBXAGGSA-N 458.966 6.391 50 10 JKGE Cc1cc(Br)cc([C@@H](Br)c2cc(C3CC3)c(Br)s2)c1 2094674667 XVZSZWIMGDVASR-CQSZACIVSA-N 465.048 6.943 50 10 JKGE COc1c(Cl)cc(Br)cc1[C@@H](Cl)c1cccc(OCc2ccccc2)c1 2138238912 AWQGZDZPBIXLDK-FQEVSTJZSA-N 452.175 7.018 50 10 JKGE Cc1c(Br)ccc([C@H](Br)Cc2ccc(Cl)cc2)c1Br 2138853358 PXWKWRVBFOVAGD-CQSZACIVSA-N 467.426 6.852 50 10 JKGE Cc1c(Br)ccc([C@@H](Br)CC2CC3(CCC3)C2)c1Br 2138871174 DKJUTAYJRLCPTP-AWEZNQCLSA-N 451.040 6.926 50 10 JKGE Clc1cc(C[C@@H]2C[C@H](Br)CC3(CCC3)C2)ccc1I 2142938953 CMKJFLHKBWBXHY-OLZOCXBDSA-N 453.589 6.221 50 10 JKGE C[C@H]1[C@@H](Br)C[C@H]2CC[C@H]1N2Cc1ccc(I)c(Cl)c1 2142942525 DSKPFRVJJCQNFA-XDYICZGBSA-N 454.577 5.081 50 10 JKGE CCCC(CBr)(CCC)CN1CC[C@@H](NC(=O)OC(C)(C)C)C(F)(F)CC1 2163057632 CUNNGPLNTQQCGM-MRXNPFEDSA-N 455.428 5.592 50 10 JKGE Cc1ccnc(C)c1COc1c(Br)cc(Br)cc1CBr 2186439410 OPMSXAUWFIVDLA-UHFFFAOYSA-N 463.995 5.697 50 10 JKGE COc1cc(C)c([C@H](Br)c2cccc(F)c2Br)cc1Br 2198736637 GQONGQZQZVUDEU-CQSZACIVSA-N 466.970 6.152 50 10 JKGE Clc1ccc(Br)c(CO[C@H](CBr)c2cccc(Br)c2)c1 2200755137 WGJBSQHLIWSJJL-OAHLLOKOSA-N 483.425 6.518 50 10 JKGE CCN(C[C@](C)(CI)OC[C@H]1C[C@@H]1C1CCCCCC1)C(=O)OC(C)(C)C 2200760106 OOACREPXAZYTAM-KNKQGSTJSA-N 493.470 6.060 50 10 JKGE Cc1cc(Br)c(C)c([C@@H](Cl)c2nn(C)c(Cl)c2Cl)c1Br 2201082664 RUMNJOLOLMZLNF-SNVBAGLBSA-N 461.412 6.197 50 10 JKGE Cc1c(Br)ccc([C@H](Br)c2cc3ncccc3s2)c1Br 2203704115 KIKMURYAPFBJMX-HNNXBMFYSA-N 476.031 6.614 50 10 JKGE O=C(c1cc(Br)ccc1I)N1CCCC[C@H]1CCCCl 2206693332 MMKFPQLNNPOXHY-LBPRGKRZSA-N 470.576 5.067 50 10 JKGE COc1cc(F)c(Cl)cc1[C@H](Br)c1cc(Br)ccc1Br 2207361662 IMBBWPGYFXPAOT-CQSZACIVSA-N 487.388 6.497 50 10 JKGE Fc1cc(Br)c(Br)c2c1CC[C@H](C(F)(F)F)C[C@@H]2Br 2225620312 SZJSBBNDJPKBCS-FSPLSTOPSA-N 468.908 6.302 50 10 JKGE Fc1cc(Br)c(Br)cc1[C@@H](Br)c1c(Cl)cccc1Cl 2225632530 CUPHJUOVJLNIRF-CYBMUJFWSA-N 491.807 7.142 50 10 JKGE Cc1ccc([C@H](Cl)c2cc(Br)c(Br)cc2F)cc1Br 2225636013 YWSZBNSWRMNHER-AWEZNQCLSA-N 471.389 6.750 50 10 JKGE BrCCC[C@H]1CCCN(Cc2cccc(Br)c2Br)C1 2225814714 MHHLOUPDMQOAJZ-LBPRGKRZSA-N 454.044 5.599 50 10 JKGE Cc1cc(Br)c([C@H](Br)[C@@H]2[C@H]3CCOC[C@H]32)c(C)c1Br 2227363107 TXXHQQHUOIMZFQ-VWFLFCASSA-N 453.012 5.547 50 10 JKGE Cc1cc(Br)c([C@H](Br)c2cc(Br)cc3c2OCC3)s1 2229326457 XAXQAUDORCYIBI-GFCCVEGCSA-N 467.020 6.001 50 10 JKGE Cc1cc(Br)cc([C@@H](Cl)c2c(Br)cc(Cl)c(Cl)c2Cl)c1 2232512301 NCTYZOBREXLEQG-GFCCVEGCSA-N 477.838 7.808 50 10 JKGE C[C@H](Cl)c1nc2c(F)cc(Br)cc2n1[C@H]1CCCN(Cc2ccccc2)C1 2232916317 OZZPJJBGTZOTSI-YOEHRIQHSA-N 450.783 6.075 50 10 JKGE CC(C)(C)OC1CC(C[C@H](Br)c2c(Cl)sc(Br)c2Cl)C1 2232948705 CCSZWTLFOHXIKV-HACHORDNSA-N 465.078 7.237 50 10 JKGE Fc1cc(Br)c(Br)cc1[C@@H](Br)C(C1CCC1)C1CCC1 2233973817 BPYVVBIJZAWOFM-MRXNPFEDSA-N 469.030 7.003 50 10 JKGE Cc1cc(Br)c([C@@H](Cl)c2c(F)cccc2Br)c(C)c1Br 2235604249 NBDWAFTVBSNSSX-OAHLLOKOSA-N 485.416 7.058 50 10 JKGE Cc1cc(Br)c([C@@H](Br)[C@@H]2CCCCC2(C)C)c(C)c1Br 2235605087 QIDSEIHBWXBKDX-LRDDRELGSA-N 467.083 7.481 50 10 JKGE FC(F)(F)Oc1ccc(Cl)cc1[C@@H](Br)c1sccc1Br 2239617889 KIHGUONSQHHWGZ-SNVBAGLBSA-N 450.501 6.547 50 10 JKGE Cc1cc(Br)c([C@H](Br)[C@@H]2OCC[C@@H]2C(F)(F)F)cc1Br 2240538548 WYOCZHJTBSMOEJ-KPXOXKRLSA-N 480.944 5.923 50 10 JKGE COc1ccc([C@@H](Cl)c2cscc2OCc2ccccc2)cc1I 2248882348 HPHIUOYEIKKKII-LJQANCHMSA-N 470.759 6.269 50 10 JKGE FC1(F)CC[C@H]([C@H](Br)c2c(Br)sc(Br)c2Cl)C1 2252723788 SNNOSPUWRQLFEK-NJGYIYPDSA-N 473.402 6.798 50 10 JKGE Cc1ccc([C@H](Br)c2sc(C)c(C)c2Br)cc1Br 2253473573 SMXNUEVZTYIMSX-ZDUSSCGKSA-N 453.037 6.683 50 10 JKGE Cc1sc([C@H](Br)c2ccc(Br)c(F)c2)c(Br)c1C 2253506703 ZCEJIJSKQPJMOB-GFCCVEGCSA-N 457.000 6.513 50 10 JKGE COc1ccc([C@@H](Br)c2cc(Cl)c(Cl)s2)cc1I 2257367649 BTFUSBPWURFFMH-LLVKDONJSA-N 477.976 6.152 50 10 JKGE COc1cc(C)c([C@H](Br)c2sccc2I)c(OC)c1 2271593109 ABFWIKGZKBFJMK-ZDUSSCGKSA-N 453.139 5.163 50 10 JKGE COc1cc(OC)c([C@@H](Br)c2cc(Br)cs2)cc1Br 2278020549 TUEKQBJKCLMXAH-CYBMUJFWSA-N 471.008 5.775 50 10 JKGE Clc1cc(Br)c([C@@H](Br)C[C@H]2CCCC23CC3)c(Cl)c1Cl 2281372505 RFBNMLCJLDTOPZ-BDAKNGLRSA-N 461.452 7.816 50 10 JKGE CC[C@H](Br)[C@H]1CCCCN1C(=O)c1ccc(Cl)c(I)c1 2283664740 RYXZTQRKVPDWNL-SMDDNHRTSA-N 470.576 5.113 50 10 JKGE C[C@H](Cl)CN(CC(C)(C)C)C(=O)c1ccc(Br)cc1I 2288046569 BWBBPMWEVVRWBM-JTQLQIEISA-N 472.592 5.169 50 10 JKGE FC1(F)CC[C@]2(C1)[C@H](Br)C[C@H]2Oc1ccc(Br)cc1Br 2295115321 OTCAJYIIJZVHOQ-UPJWGTAASA-N 474.965 5.932 50 10 JKGE Brc1cc(Br)cc(C[C@@H](Br)c2csc3ccccc23)c1 2295274002 FCEFJABAQDHEQZ-OAHLLOKOSA-N 475.043 7.105 50 10 JKGE COc1ccc(NC(=O)C(C#N)=Cc2c(Oc3ccc(Cl)c(C)c3)nc3ccccn3c2=O)cc1 2296543658 VTIOCHINBSPJNO-UHFFFAOYSA-N 486.915 5.003 50 10 JKGE N#CC(=C(O)c1ccc(-c2ccc([N+](=O)[O-])cc2Cl)o1)c1nc(-c2ccc(F)cc2)cs1 2296819184 ONVHXAIYQZWAKY-UHFFFAOYSA-N 467.865 6.721 50 10 JKGE COc1cc(C=C(C#N)c2ccc([N+](=O)[O-])cc2)c(Br)cc1OCc1cccc(F)c1 2297368435 PDHLQPSLLXXMLJ-UHFFFAOYSA-N 483.293 6.148 50 10 JKGE CCCCCCCCCCCCCCCCN1C=CC(=CC=C(C#N)C(=O)OC)c2ccccc21 2297450475 PSNQISXMZBYGEP-UHFFFAOYSA-N 476.705 8.508 50 10 JKGE Cc1cc([C@H](Cl)c2cc(Br)ccc2OCc2ccccc2)oc1Br 2299510723 RORYQBWGWFZYTA-GOSISDBHSA-N 470.588 7.020 50 10 JKGE Cc1cccc(NC(=O)C(C#N)=Cc2cc(Br)cc(Br)c2O)c1C 2313518098 IABWXBRTKJWQOS-UHFFFAOYSA-N 450.130 5.080 50 10 JKGE N#CC(=Cc1ccc(-c2ccc(Cl)c(Cl)c2)o1)c1nc(-c2cc3ccccc3oc2=O)cs1 2314490287 ZHKUPWUKDWPNES-UHFFFAOYSA-N 491.355 7.547 50 10 JKGE C[C@@H]1C[C@@H]2C[C@@H]2C[C@@H]1[C@H](Br)c1cc(Br)ccc1OCc1ccccc1 2314496444 BJFTXDXEVYTCSG-LKSMAVNPSA-N 464.241 7.146 50 10 JKGE Brc1cc(OCc2ccccc2)ccc1[C@H](Br)[C@]12CCC[C@@H]1OCC2 2314504019 YLOAUSACOGPEQE-ACRUOGEOSA-N 466.213 6.423 50 10 JKGE N#CC(=Cc1ccc(-c2ccc(Cl)cc2Cl)o1)c1nc(-c2ccc3ccccc3c2)cs1 2314571878 NUAYCZUWTAFMJV-UHFFFAOYSA-N 473.384 8.594 50 10 JKGE CCc1ccc(C[C@H]2SC(=C(C#N)C(=O)Nc3cccc(C)c3)N(c3ccc(OC)cc3)C2=O)cc1 2314591983 IXKWYLDNPNEUTI-AREMUKBSSA-N 497.620 5.631 50 10 JKGE CCOc1cccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)C=Cc4ccc(Cl)cc4)ccc32)c1 2314634875 YQBXKKNUEHNZIK-AREMUKBSSA-N 472.928 5.576 50 10 JKGE CCOc1ccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)C=Cc4ccc(C(C)(C)C)cc4)ccc32)cc1 2314640735 UFZOYOIRUZOYCB-LJAQVGFWSA-N 494.591 6.220 50 10 JKGE COc1ccc(CCC(=O)Oc2ccc(C=C(C#N)c3ccccc3OC)cc2OC)cc1OC 2320506257 FXLOBSBYEXZKQK-UHFFFAOYSA-N 473.525 5.323 50 10 JKGE COc1cc(C=C(C#N)c2ccc(C(=O)OC(C)C)o2)ccc1OCc1c(Cl)cccc1Cl 2331049679 DVSPUOLVBIDFET-UHFFFAOYSA-N 486.351 6.803 50 10 JKGE Cc1nc2ccc(C(O)=C(C#N)c3nc(-c4ccc(-c5ccccc5)cc4)cs3)cc2nc1C 2331232136 ZBFMIOJNICCCTR-UHFFFAOYSA-N 460.562 6.987 50 10 JKGE N#CC(=C(O)COc1ccc(Cl)cc1Cl)c1nc(-c2ccc(Br)cc2)cs1 2331260674 ZIRRRPGRQWDZLE-UHFFFAOYSA-N 482.186 6.751 50 10 JKGE COc1ccc(OC)c(-c2csc(C(C#N)=C(O)[C@H](C)Oc3ccccc3C(C)C)n2)c1 2331325933 DWXULJGDEZIHJE-INIZCTEOSA-N 450.560 6.211 50 10 JKGE CCOc1ccc(OCC)c(-c2csc(C(C#N)=C(O)c3cc([N+](=O)[O-])cc([N+](=O)[O-])c3C)n2)c1 2331376675 GXDGQNMOLWKBPG-UHFFFAOYSA-N 496.501 5.682 50 10 JKGE COc1ccc(OC)c(C=CC(O)=C(C#N)c2nc(-c3cc(C)c(Cl)cc3OC)cs2)c1 2331390251 SUSNPLAVMXFNBQ-UHFFFAOYSA-N 468.962 6.304 50 10 JKGE CCCCOc1ccc(C(O)=C(C#N)c2nc(-c3c(C)cc(C)cc3C)cs2)cc1OCC 2331394516 PCUDQNGQSAJMRB-UHFFFAOYSA-N 462.615 7.263 50 10 JKGE COc1ccc(C=CC(O)=C(C#N)c2nc(-c3cc(Cl)c(OC)c(Cl)c3)cs2)c(OC)c1 2331396570 QFHYOEZIGQRCAW-UHFFFAOYSA-N 489.380 6.649 50 10 JKGE CCc1ccc(OCCCC(O)=C(C#N)c2nc(-c3cc(C(C)(C)C)ccc3C)cs2)cc1 2331397073 FYCODPLRDFDCBU-UHFFFAOYSA-N 460.643 7.630 50 10 JKGE COc1c(Cl)cc(-c2csc(C(C#N)=C(O)CCCOc3ccccc3)n2)cc1Cl 2331397726 YICUAAWUFOPRGN-UHFFFAOYSA-N 461.370 6.777 50 10 JKGE CCCCCOc1c(Br)cc(C=C(C#N)c2nc(-c3ccc(C)cc3)cs2)cc1OC 2331444067 HXJBZRUWXJBDQO-UHFFFAOYSA-N 497.458 7.523 50 10 JKGE Cc1c(Br)ccc([C@@H](Br)[C@H]2OC[C@@H]3CCC[C@H]23)c1Br 2333518754 MOEHHJLWPVCLIV-MISXLKTNSA-N 453.012 5.771 50 10 JKGE CC[C@@H]1OCC[C@H]1[C@@H](Br)c1c(C)cc(Br)c(F)c1Br 2339644961 CZGRYDUBMJBARS-UBHAPETDSA-N 458.991 5.910 50 10 JKGE COc1c(Br)cc(C)c([C@@H](Br)[C@@H](C)C(C)(F)F)c1Br 2339690836 LEHOGBBYAFHBPU-XCBNKYQSSA-N 464.970 6.256 50 10 JKGE C[C@H](Br)CN(Cc1ccc(Br)cc1Br)C1CCCC1 2342946222 MYEHOWQKWAOZEV-NSHDSACASA-N 454.044 5.740 50 10 JKGE C[C@H](Cc1ccc(I)c(Br)c1)[C@H](Br)c1ccccc1 2349777774 DOGDOARPNNOTQQ-BZNIZROVSA-N 494.008 6.369 50 10 JKGE Cc1ccc([C@H](Br)CCc2ccc(I)c(Br)c2)cc1 2349855381 QSDCTSZOEZDDGQ-CQSZACIVSA-N 494.008 6.431 50 10 JKGE Cn1nc([C@H](Br)c2c(F)cc(Cl)c(Br)c2Cl)c(Cl)c1Cl 2360406352 KEDWMQBTUZYKPN-SSDOTTSWSA-N 485.793 6.420 50 10 JKGE FC(F)(F)C1([C@H](Cl)c2cc(Br)ccc2OCc2ccccc2)CCOCC1 2361169666 XLRKNUOEJVEZLO-GOSISDBHSA-N 463.721 6.667 50 10 JKGE O=S1(=O)CCC[C@H]([C@@H](Cl)c2c(Cl)cc(Br)c(F)c2Br)C1 2362228737 PAEASOXAHDUNQH-UPONEAKYSA-N 468.997 5.109 50 10 JKGE CC1(C)C(C)(C)C1(C)[C@@H](Br)c1c(Cl)cc(Br)c(F)c1Br 2362249592 XZUILMRKRJQWKD-LBPRGKRZSA-N 491.464 7.512 50 10 JKGE Cn1nc(Br)c(Br)c1[C@H](Cl)c1csc2c(Br)cccc12 2364063604 KJOZAVNLUPDNSL-SNVBAGLBSA-N 499.453 6.251 50 10 JKGE COc1cc(C)c(Cl)cc1[C@H](Br)c1c(Br)c(Br)nn1C 2364235735 PPKVNFDAWTWWHS-JTQLQIEISA-N 487.417 5.400 50 10 JKGE COCC1([C@H](Br)c2c(C)cc(Br)c(F)c2Br)CCCC1 2365178348 IZKLNHWIDUDBEA-CQSZACIVSA-N 473.018 6.302 50 10 JKGE Cc1cc(Br)c(F)c(Br)c1[C@H](Br)C[C@@H]1CCC[C@H]2C[C@@H]21 2365190299 DBJAKWPKDDMPMZ-FIQHERPVSA-N 469.030 6.921 50 10 JKGE Cc1cc(Br)c(F)c(Br)c1[C@H](Br)c1cc(F)cc(Cl)c1 2365222454 DDYBDTDVGICRBP-GFCCVEGCSA-N 489.379 6.936 50 10 JKGE COCc1ccc([C@H](Cl)c2c(Cl)cc(Br)c(F)c2Br)s1 2367822105 ZWDXIIGJGHZVTH-LBPRGKRZSA-N 462.993 6.540 50 10 JKGE CC(C)(C)OC(=O)N1C[C@H](I)[C@H](OC[C@@H](c2ccccc2)C2CCCC2)C1 2368354202 LFSQTTNCMDDIGM-SLFFLAALSA-N 485.406 5.400 50 10 JKGE COc1ccccc1/C(C#N)=C\c1cccc(OC(=O)/C=C/c2ccc(Cl)cc2Cl)c1 31902743 RYDNCXQSCNRWPX-NSEAFHDBSA-N 450.321 6.685 50 10 JKGE O=C(N/N=C\c1cccc(Br)c1)c1[nH]c2ccc([N+](=O)[O-])cc2c1-c1ccccc1 33154751 OKHZNJMJJTUNGR-CFRMEGHHSA-N 463.291 5.270 50 10 JKGE N#C/C(=C/Nc1ccc2c(C(F)(F)F)cc(=O)oc2c1)c1nc(-c2ccc([N+](=O)[O-])cc2)cs1 33907145 WEHOWLDCHMFMQY-RAXLEYEMSA-N 484.415 5.820 50 10 JKGE COc1ccc(/C=C(/C#N)C(=O)Nc2ccccc2F)cc1OC(=O)c1cccc2ccccc12 34704113 VHFAJFFKPPDMLK-HKWRFOASSA-N 466.468 5.752 50 10 JKGE CC1=C(C#N)C(=O)N(Cc2ccccc2Cl)C(=O)/C1=C/c1ccc(OCc2ccc(C)cc2)cc1 38608801 FPPUUUDSFNFVEL-MFKUBSTISA-N 482.967 6.020 50 10 JKGE COc1cccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)COc4ccc(Cl)cc4Cl)ccc32)c1 38650145 OHYRNWQNTMLFMX-XMMPIXPASA-N 497.334 5.205 50 10 JKGE N#CC1=C(N)Oc2cc(OC(=O)c3ccc([N+](=O)[O-])cc3)ccc2[C@H]1c1ccc(Cl)c(Cl)c1 38655783 ITAOYXLLNUWGTC-OAQYLSRUSA-N 482.279 5.339 50 10 JKGE Cc1ccccc1C(=O)Oc1ccc2c(c1)OC(N)=C(C#N)[C@@H]2c1cccc(Oc2ccccc2)c1 38660750 AFJWZJSAMUTYCR-MUUNZHRXSA-N 474.516 6.225 50 10 JKGE CCCOc1cccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)COc4ccc(C)c(C)c4)ccc32)c1 38684465 GCXUEEFWCQTTHZ-MUUNZHRXSA-N 484.552 5.295 50 10 JKGE CCCCOc1cccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4ccc(C)cc4)ccc32)c1 38685033 QMMUYMFNVZMSTR-AREMUKBSSA-N 454.526 5.611 50 10 JKGE CCCCOc1cccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)COc4cc(C)cc(C)c4)ccc32)c1 38685196 YEYJPUULNHQNQF-LJAQVGFWSA-N 498.579 5.685 50 10 JKGE Cc1cc(C)c2c(C)c(C(=O)Oc3ccc4c(c3)OC(N)=C(C#N)[C@@H]4c3ccc([N+](=O)[O-])cc3)oc2c1 38688246 IOYFTSAXYPWORE-RUZDIDTESA-N 495.491 5.704 50 10 JKGE Cc1ccc(C(C)C)c(OC(=O)c2oc3c(c2C)/C(=N/NC(=O)c2ccccc2Cl)CCC3)c1 40812746 NDHIGTBZFHMASX-XHLNEMQHSA-N 478.976 6.363 50 10 JKGE Cc1c(C(=O)Oc2ccc3ccccc3c2)oc2c1/C(=N/NC(=O)c1cccc(Cl)c1)CCC2 40813293 DEGDEGPSFMASCE-QUPMIFSKSA-N 472.928 6.084 50 10 JKGE Cc1ccc(CNC(=O)c2oc3c(c2C)/C(=N/NC(=O)Cc2coc4c(C)c(C)ccc24)CCC3)cc1 40826597 YEJCUBFTYKTVJU-FEZSWGLMSA-N 497.595 5.589 50 10 JKGE Cc1cccc(C(=O)N/N=C2\C(=O)N(Cc3ccc(Cl)cc3)c3ccc(Br)cc32)c1 40840314 WGGRRUSGWLGPJO-QLYXXIJNSA-N 482.765 5.092 50 10 JKGE CCOc1cc(/C=N\NC(=O)CC[C@H](O)c2ccccc2)ccc1OCc1ccccc1Cl 58890296 CBQGFAKRBQMTCS-MPTKSEEOSA-N 466.965 5.282 50 10 JKGE Cc1cc([C@@H](Br)c2ccc(Br)cc2F)c(C)cc1Br 70472149 QXUPWNUNRSXOFG-HNNXBMFYSA-N 450.971 6.452 50 10 JKGE COc1ccc(NC(=O)/C(C#N)=C\c2ccc(OC)c(COc3cccc(C(F)(F)F)c3)c2)cc1 96438634 DDMFNKGLXUDLAI-PDGQHHTCSA-N 482.458 5.847 50 10 JKGE C=CCc1cc(/C=C(/C#N)C(=O)Nc2cccc(OC)c2)cc(OCC)c1OCc1ccccc1C#N 96476209 JLLBTTXVUQJVJE-MYYYXRDXSA-N 493.563 5.819 50 10 JKGE CCCCOc1ccc(/C=C(/C#N)C(=O)Nc2sc(C(=O)OC(C)C)c(C)c2C(=O)OCC)cc1 98027932 CDPBPBBIHQDBIY-RGEXLXHISA-N 498.601 5.523 50 10 JKGE CC1=C(C#N)C(=O)N(CC(C)C)C(=O)/C1=C/c1cn(-c2ccccc2)nc1-c1cc2ccccc2o1 101334735 YPIFCXBDDDQZNT-YDZHTSKRSA-N 476.536 5.534 50 10 JKGE CC(C)COc1ccc(-c2nn(-c3ccccc3)cc2/C=C(/C#N)C(=O)NCc2ccco2)cc1 102829822 GBOSUGWZVIMFKR-JCMHNJIXSA-N 466.541 5.390 50 10 JKGE O=C/C(=C/Nc1ccc(Br)cc1)[C@H](Nc1ccc(Br)cc1)c1ccco1 108407662 IIYGNVYPDSEHOW-WXFJXSOESA-N 476.168 6.153 50 10 JKGE COc1c(C)cc(Br)c(C)c1[C@@H](Br)c1ccc(Br)cc1F 125684979 HHGITWALJKRVET-HNNXBMFYSA-N 480.997 6.460 50 10 JKGE Cc1cc(Br)c([C@@H](Br)c2cccc(Cl)c2Cl)cc1Br 128792443 LOFRHADPAWSMNN-ZDUSSCGKSA-N 487.844 7.311 50 10 JKGE Cc1ccc(CCN(C(=O)CCl)[C@H](C(=O)N[C@H]2CCCC[C@H]2C)c2ccc(Cl)cc2)cc1 230275373 MIVNZEQGQXBYTJ-VPHKFGTKSA-N 475.460 5.695 50 10 JKGE Clc1cc([C@@H](Br)Cc2nc3ccccc3s2)ccc1I 232386597 AFGSSUJOUKPSIC-JTQLQIEISA-N 478.580 6.233 50 10 JKGE O=C(c1cc(Br)ccc1I)N(CCCl)C1CCCCC1 236019756 WQHYFZUUTUSTJO-UHFFFAOYSA-N 470.576 5.067 50 10 JKGE Fc1cccc(C[C@H](Br)c2ccc(Br)cc2Br)c1F 236217648 XSRICKYQOQDMJW-NSHDSACASA-N 454.934 6.169 50 10 JKGE COc1ccc(C(=O)Oc2ccc(C=NNC(=O)c3ccc(-n4c(C)ccc4C)cc3)cc2OC)cc1 254352280 PTTVXJISXRKZCN-UHFFFAOYSA-N 497.551 5.094 50 10 JKGE CCCOc1ccc(/C=C(\NC(=O)c2ccccc2)C(=O)NN=Cc2c(O)ccc3ccccc23)cc1 254544581 YYNLOBNDKLBVJP-FQWWBAIZSA-N 493.563 5.255 50 10 JKGE CCCOc1ccc(-c2nn(-c3ccccc3)cc2C=NNC(=O)c2ccc([N+](=O)[O-])cc2)cc1 254627228 QIDBNVNLORQFHT-UHFFFAOYSA-N 469.501 5.000 50 10 JKGE CCCOc1ccc(C(=O)Oc2ccc(C=NNC(=O)COc3cccc4ccccc34)cc2)cc1 254698704 WGFVUDOZVDUUOW-UHFFFAOYSA-N 482.536 5.377 50 10 JKGE Cc1sc(Br)cc1[C@H](Br)c1ccc(OCc2ccccc2)cc1 309884555 YJAIBWGWBFFWHZ-LJQANCHMSA-N 452.211 6.882 50 10 JKGE CN(Cc1ccccc1)CC(C)(C)n1c(CCCl)nc2cc(I)c(F)cc21 379609339 GWRKNXVQKGBXDL-UHFFFAOYSA-N 499.799 5.428 50 10 JKGE COCCOc1ccc([C@@H](Br)c2coc(Br)c2)cc1Br 382268261 INFQNIGVTBRLIK-CQSZACIVSA-N 468.967 5.314 50 10 JKGE Cc1ccc2c(c1)nc(CCl)n2-c1ccc(I)c(Br)c1 383486814 VTUGFJWZBMAQKW-UHFFFAOYSA-N 461.528 5.440 50 10 JKGE Cc1cc([C@H](Br)c2c(C)cc(C)c(Br)c2C)ccc1Br 383510618 FGLXZXNGPQQWLN-KRWDZBQOSA-N 461.035 6.930 50 10 JKGE BrCc1ccc(N2C[C@@H]3CCN(Cc4ccccc4)C[C@@H]3C2)cc1Br 385991171 RYGGSPOKLZHKGF-RBUKOAKNSA-N 464.245 5.302 50 10 JKGE C[C@@H](Br)CC(C)(C)CNC(=O)c1cc(Br)sc1Br 393565213 PVLRJSUNQYCXIO-SSDOTTSWSA-N 462.045 5.203 50 10 JKGE Cc1oc(Br)cc1[C@H](Br)c1cc(Br)ccc1Br 396538359 JZBODCIRNLWCEG-LBPRGKRZSA-N 487.811 6.360 50 10 JKGE FC(F)(Cl)CCOc1c(Br)cc(Br)cc1CBr 402002334 GLLSVDHUCUBMGX-UHFFFAOYSA-N 457.334 5.707 50 10 JKGE CC(C)(C)OC(=O)NCCN1c2ccccc2CC[C@@H]1c1ccccc1CO[Si](C)(C)C(C)(C)C 616595666 QJHXWBXMRWJJNE-AREMUKBSSA-N 496.768 7.227 50 10 JKGE CC(C)(C)OC(=O)NCCN1C[C@@H](c2ccc(CO[Si](C)(C)C(C)(C)C)cc2)Cc2ccccc21 616671325 JIROWHFVEVXAKT-VWLOTQADSA-N 496.768 6.879 50 10 JKGE Fc1ccc([C@H](Br)Cc2ccccc2Br)c(F)c1Br 691562990 SBBTWKWDCGWADL-LLVKDONJSA-N 454.934 6.169 50 10 JKGE Cc1cc2c(cc1F)nc(CCCl)n2CC1(N(Cc2ccccc2)Cc2ccccc2)COC1 705607622 ZRRHJNMDIRPWCA-UHFFFAOYSA-N 478.011 5.737 50 10 JKGE CN(C[C@H]1CCCN(Cc2ccccc2)C1)c1ccc(Br)cc1CBr 720016611 LOQFHSHERVYLAH-GOSISDBHSA-N 466.261 5.692 50 10 JKGE O=C(Nc1ccccc1C(=O)NN=Cc1ccc(OCc2ccc(F)cc2)cc1)c1cccs1 725409501 KQSYIRNCTDTWOG-UHFFFAOYSA-N 473.529 5.482 50 10 JKGE CC(C)(C)OC(=O)N1C[C@@H](CI)[C@H](c2ccc(F)c(C(F)(F)F)c2)C1 725418058 DVIIBQBTFALKBP-NEPJUHHUSA-N 473.248 5.230 50 10 JKGE CCOC(=O)c1ccc(-c2ccc(C=NNC(=O)[C@@H](C)Sc3ccc(Cl)cc3)o2)cc1 1084252865 GPJBUCZMAJARPB-OAHLLOKOSA-N 456.951 5.408 50 10 JKGE Cc1ccc(S(=O)(=O)OC[C@H](C)[C@@H]2CC[C@H]3[C@H](O[Si](C)(C)C(C)(C)C)CCC[C@@]23C)cc1 1084288667 YPZVZHFTOWMQHV-GICWPUQQSA-N 480.787 6.943 50 10 JKGE CCOc1ccc(NC(=O)/C(C#N)=C/c2cc(C)n(-c3ccc(C(=O)O)c(Cl)c3)c2C)cc1 1084312731 GFVPEYNWPAVKSS-LDADJPATSA-N 463.921 5.390 50 10 JKGE O=C(NN=Cc1ccc(Br)cc1)c1ccc([C@@H]2Nc3ccccc3[C@@H]3C=CC[C@H]32)cc1 1084437032 KVDXIYHAWLBVSG-PWWKTKHKSA-N 472.386 6.040 50 10 JKGE Cc1cc(/C=C(\C#N)C(=O)Nc2cccc(Cl)c2Cl)c(C)n1-c1ccc(C(C)(C)C)cc1 1084553071 LDPXAIKTQIBGNB-XMHGGMMESA-N 466.412 7.244 50 10 JKGE Cc1cc(OC(=O)c2oc3c(c2C)C(=NNC(=O)c2ccc([N+](=O)[O-])cc2)CCC3)cc(C)c1Cl 1772743535 BGCJKJDQGWYFHV-UHFFFAOYSA-N 495.919 5.456 50 10 JKGE O=C(CSc1nc(-c2ccc(Cl)cc2)cs1)NN=Cc1cccc(Br)c1 1772755276 YRMJSGSOZVCEBG-UHFFFAOYSA-N 466.813 5.468 50 10 JKGE N#CC1=C(N)Oc2c(c(-c3ccccc3)nn2Cc2ccc(Cl)cc2)[C@@H]1c1cc(Cl)ccc1O 1865688778 ALFLXZZMVKWHMD-JOCHJYFZSA-N 489.362 5.829 50 10 JKGE CCOc1ccc([C@@H]2C(C#N)=C(N)Oc3c2c(-c2ccccc2)nn3-c2ccc(C)cc2)cc1OCC 1865689998 YSRVUFWUDAPLHF-AREMUKBSSA-N 492.579 5.863 50 10 JKGE CCCOc1cccc([C@@H]2C(C#N)=C(N)Oc3c2c(-c2ccccc2)nn3-c2ccccc2Cl)c1 1865694488 WFTZEWPTNPUZBI-XMMPIXPASA-N 482.971 6.200 50 10 JKGE CCCCCOc1ccc([C@H]2C(C#N)=C(N)Oc3c2c(CCC)nn3-c2ccccc2)cc1OC 1865694843 CXKKCAUXOGNOOU-VWLOTQADSA-N 472.589 5.621 50 10 JKGE COc1ccc(-n2nc(-c3ccccc3)c3c2OC(N)=C(C#N)[C@H]3c2ccc(Br)cc2)cc1 1865715102 WBRGFWWODZDBIE-JOCHJYFZSA-N 499.368 5.529 50 10 JKGE N#C/C(=C\c1ccccc1)C(=O)Nc1c(Br)cc(Br)cc1Br 1865911461 LIVZQYPDOPRTDT-IZZDOVSWSA-N 484.973 5.520 50 10 JKGE N#C/C(=C(/O)CCN1C(=O)c2ccccc2C1=O)c1nc(-c2ccc(-c3ccccc3)cc2)cs1 1872743608 CWINMOQXECUWAP-BZZOAKBMSA-N 477.545 5.956 50 10 JKGE CC(C)[C@@H](/C(O)=C(\C#N)c1nc(-c2ccccc2Cl)cs1)N1C(=O)c2ccccc2C1=O 1872746665 RXAVWUVBMRPCHD-HOJYTFPLSA-N 463.946 5.577 50 10 JKGE Cc1ccc(-c2csc(/C(C#N)=C(\O)c3ccc(N4CCOCC4)c([N+](=O)[O-])c3)n2)c(C)c1 1872748652 HJJFRFQZJHEVPI-NMWGTECJSA-N 462.531 5.122 50 10 JKGE N#C/C(=C(/O)c1cccc(Oc2ccccc2)c1)c1nc(-c2ccc(Oc3ccccc3)cc2)cs1 1872753901 STFFTLZIPZCCBS-OHYPFYFLSA-N 488.568 8.345 50 10 JKGE CCOc1ccc(OCC)c(-c2csc(/C(C#N)=C(O)/C=C/c3ccc(C(=O)OC)cc3)n2)c1 1872754890 NPIVOCVJKSVGHC-GVMZUKKWSA-N 476.554 5.900 50 10 JKGE C=CCOc1ccccc1OC/C(O)=C(\C#N)c1nc(-c2cc(Cl)c(OC)cc2OC)cs1 1872756607 RRKNMOBCLQBLLT-MNDPQUGUSA-N 484.961 5.917 50 10 JKGE C[C@H](c1ccccc1)N1C[C@@H](/C(O)=C(\C#N)c2nc(-c3cc(Cl)ccc3Cl)cs2)CC1=O 1872758310 UWWJFJSVNZPTNN-GDJRBPOVSA-N 484.408 6.519 50 10 JKGE N#C/C(=C\c1cccc(OCc2ccccc2)c1)c1nc(-c2ccc(Br)cc2)cs1 1872781070 TXQXRRZJUMNACV-FYJGNVAPSA-N 473.395 7.216 50 10 JKGE CCCCCCOc1ccc(/C=C(\C#N)c2nc(-c3ccc(Cl)cc3Cl)cs2)cc1OC 1872781940 XXPAZGCJUCYKEA-LDADJPATSA-N 487.452 8.149 50 10 JKGE COc1cccc(/C=C(\C#N)c2nc(-c3cccc(Cl)c3)cs2)c1OCc1cccc(C)c1 1872790081 JTQBWPHHIMEAQE-LPYMAVHISA-N 472.997 7.424 50 10 JKGE O=C(c1ccccc1OCc1ccccc1)N(Cc1ccccc1)[C@H](CBr)C1CC1 1915313139 MPERPPKMFHHYII-XMMPIXPASA-N 464.403 6.082 50 10 JKGE Cc1c(Br)sc([C@@H](Br)c2cccc(OC(C)C)c2)c1Br 1922880549 FEUIEMRXUTVSII-ZDUSSCGKSA-N 483.063 6.853 50 10 JKGE Cc1c(Br)sc([C@@H](Br)Cc2c(F)cccc2F)c1Br 1922900252 HNUSLEUGDQLQTB-QMMMGPOBSA-N 474.990 6.538 50 10 JKGE COCC1([C@@H](Br)c2c(Br)sc(Br)c2Cl)CCCC1 1923070533 BVKLYGOHDGQTAR-VIFPVBQESA-N 481.475 6.569 50 10 JKGE C[C@@H](c1ccncc1Br)[C@@H](Br)c1ccc(F)c(Br)c1 1924038448 FZSNSUNETYQHFO-RMLUDKJBSA-N 451.959 5.985 50 10 JKGE CC(F)(F)C[C@H](Br)c1c(Br)sc(Br)c1Br 1924577216 YTSXICYCJOTLIN-VKHMYHEASA-N 491.815 6.517 50 10 JKGE CC1CC([C@@H](Br)c2c(Br)sc(Br)c2Br)C1 1924609205 UCSHFCGIMPLING-KGMSYRRLSA-N 481.873 6.518 50 10 JKGE O=C(Nc1ccc(F)c(CCl)c1)c1cc(Br)ccc1I 1924910615 ZTOQNHFKGYQLMP-UHFFFAOYSA-N 468.491 5.184 50 10 JKGE Cl[C@H](c1cscc1OCc1ccccc1)c1cc(Br)sc1Br 1934840274 UZQPUVKOZAAXIC-HNNXBMFYSA-N 478.658 7.242 50 10 JKGE Clc1cc(Br)c([C@H](Cl)c2c(Br)cccc2Br)s1 1948827993 GKLSRSTZKXASAC-SNVBAGLBSA-N 479.846 7.017 50 10 JKGE Brc1sc(Br)c([C@H](Br)[C@@H]2[C@H]3CC[C@H]32)c1Br 1958608311 QCXQATAKYZNXLP-UELCQGJWSA-N 479.857 6.128 50 10 JKGE ClCC1(N(Cc2ccccc2)Cc2cc(Br)ccc2Br)CCC1 1982457309 HRLQQYUKZAUYCH-UHFFFAOYSA-N 457.637 6.375 50 10 JKGE Clc1c(Br)sc(Br)c1[C@H](Br)[C@H]1[C@H]2CCCC[C@H]21 2002141081 YIUQGTYVZPJRSZ-JVZYCSMKSA-N 463.460 6.799 50 10 JKGE Cc1c(Cl)cc(C(=O)N(Cc2ccccc2)[C@@H](C)CCBr)cc1Br 2002241687 FUEIDOBWJPIWQX-ZDUSSCGKSA-N 473.636 6.227 50 10 JKGE CCOc1ccc([C@@H](Br)c2cc(Br)c(Br)s2)s1 2026366598 ZGBUVMYIZBUGAM-SNVBAGLBSA-N 461.038 6.218 50 10 JKGE CN(CCN(Cc1ccccc1)S(=O)(=O)c1ccc(CCCCl)cc1)Cc1ccccc1 2034749993 JYDAXGWFGKQWSC-UHFFFAOYSA-N 471.066 5.181 50 10 JKGE Cc1csc([C@@H](Br)c2cc(Cl)c(Br)cc2F)c1Br 2039335363 BMCHYRWYVIPIRQ-NSHDSACASA-N 477.418 6.858 50 10 JKGE COc1cc(Cl)c([C@H](Br)c2csnc2Br)cc1Br 2082390245 RIZBMCMHGLWLRF-JTQLQIEISA-N 476.415 5.814 50 10 JKGE CCOc1ccc([C@@H](Cl)c2ccc(Br)cc2I)s1 2086374990 MNYFWUMMHVMSQO-ZDUSSCGKSA-N 457.558 5.842 50 10 JKGE C[C@H]1CN(Cc2ccccc2)C[C@@H](C)N(c2c(CCl)ccc(Br)c2Cl)C1 2098117286 NXFSODYIOLRVFY-JKSUJKDBSA-N 456.255 6.188 50 10 JKGE O=C(c1scc(Br)c1Br)N1[C@H](CBr)C[C@H]2CCC[C@H]21 2108400282 VUVZSVQSEDGNAW-KHQFGBGNSA-N 472.040 5.051 50 10 JKGE FC1(F)CCCCC[C@H]1[C@H](Cl)c1c(Br)sc(Br)c1Cl 2108661039 DLUKQVBLZJHUEI-XPUUQOCRSA-N 457.005 7.422 50 10 JKGE CN(Cc1cc(Br)cs1)c1cc(Br)cc(F)c1CBr 2114267404 HQEZBCCPJLPEJZ-UHFFFAOYSA-N 472.015 5.944 50 10 JKGE C[C@@H]1CN(Cc2ccc(Br)cc2Br)CC[C@@H]1CCBr 2115845346 XJPXQXJVDJRVNP-NEPJUHHUSA-N 454.044 5.455 50 10 JKGE CO[C@H]1C[C@H]([C@@H](Br)c2c(Cl)sc(Br)c2Cl)C[C@H]1OC 2118267070 GEWHPUJBZIQKME-JAGXHNFQSA-N 453.023 5.693 50 10 JKGE C[C@@H](N(Cc1ccccc1)S(=O)(=O)c1ccc(CBr)c(Cl)c1)C(C)(C)C 2123202834 BTCHXPFVOJIKKS-OAHLLOKOSA-N 458.849 5.860 50 10 JKGE COc1c(C)cc(Br)cc1[C@H](Br)c1cc(C)c(Br)o1 2141641106 ZGPLOUYGXNOFQB-LBPRGKRZSA-N 452.968 5.914 50 10 JKGE ClCc1ccc(Br)c(Cl)c1N1CCC[C@@H]1[C@H]1CCN(Cc2ccccc2)C1 2154375677 KSCAWVUCPRMHFY-AZUAARDMSA-N 468.266 6.332 50 10 JKGE CCC(CC)(CBr)CN=[S@@](=O)(CCNC(=O)OC(C)(C)C)c1ccccc1 2163655181 AYMZELNEFOLSJL-HHHXNRCGSA-N 461.466 5.240 50 10 JKGE COc1cc(CBr)cc(Br)c1OCc1snc(Cl)c1Cl 2167231793 OVKSVBIDBFHTJM-UHFFFAOYSA-N 461.990 5.695 50 10 JKGE Cc1cc(Br)c([C@@H](Br)c2cc(Cl)c(F)cc2F)cc1Br 2179387185 MHXUQGDXYULOPJ-CQSZACIVSA-N 489.379 6.936 50 10 JKGE C[C@H]1OCC[C@@H]1CCC(CBr)(CBr)c1ccc(Br)cc1 2196312973 DJEZTSIAJITQEV-OLZOCXBDSA-N 469.055 5.682 50 10 JKGE BrCc1cc(Br)cc(Br)c1OC[C@@H]1CC12CCOCC2 2198158280 CBIDOFIXNJKJGC-NSHDSACASA-N 469.011 5.302 50 10 JKGE COc1ccc([C@@H](Br)Cc2ccccc2I)c(Cl)c1Cl 2203425906 LUWPGCRWNVJQFK-NSHDSACASA-N 485.974 6.285 50 10 JKGE Fc1cccc([C@H](CI)OCc2cc(F)ccc2Br)c1 2206266324 FGKXBGRSTITCSL-HNNXBMFYSA-N 453.064 5.420 50 10 JKGE Cc1sc(Br)c(C)c1[C@@H](Br)c1ccccc1OCc1ccccc1 2213641273 NTMPOWUOJRUUHP-IBGZPJMESA-N 466.238 7.191 50 10 JKGE COC[C@@H]1C[C@H](Cl)[C@@H](c2sc(Br)c(Br)c2Br)C1 2216414918 WNFDSRKPKIXIRT-ACZMJKKPSA-N 467.448 5.783 50 10 JKGE Fc1cc(F)c([C@@H](Br)c2ccc(Br)s2)c(F)c1Br 2220496963 KFNGPICOUMGXLW-JTQLQIEISA-N 464.926 6.175 50 10 JKGE COCc1cc(Br)c([C@@H](Cl)c2cc(C)ccc2I)s1 2232219312 FBXUVIQYAGUZSX-ZDUSSCGKSA-N 471.585 5.898 50 10 JKGE Brc1cc(Br)c(OC[C@H]2C[C@@H]2Br)c(CNC2CCC2)c1 2240250247 SIFWGPCQVSCKSM-MFKMUULPSA-N 468.027 5.016 50 10 JKGE CCc1cc([C@H](Br)c2ccc(Cl)cc2Br)sc1Br 2255989400 SPDVCTZBTGHHPC-GFCCVEGCSA-N 473.455 6.973 50 10 JKGE Cc1sc(Br)c([C@@H](Br)c2cccc(Cl)c2Br)c1C 2256136470 KVSOUDXENZECAH-LBPRGKRZSA-N 473.455 7.028 50 10 JKGE Cl[C@@H](Cc1cc(Br)cc(Br)c1)c1ccccc1OCc1ccccc1 2263518193 ARDBCMQWYCHLRR-FQEVSTJZSA-N 480.627 7.313 50 10 JKGE Cc1sc(Br)c([C@H](Br)c2cc(Br)c(F)cc2Cl)c1C 2270462101 YMCLIOTYCQIGPD-GFCCVEGCSA-N 491.445 7.167 50 10 JKGE Fc1cc(Br)c(F)c(Br)c1[C@H](Br)[C@@H]1CCC[C@H]2C[C@H]21 2272726770 QKSDZDCCKAJSCG-HIHLCYOISA-N 458.966 6.362 50 10 JKGE Brc1cc(Br)cc(C[C@H](Br)[C@]23CCC[C@H]2OCC3)c1 2277962976 OGAFEMNVCFSWOK-RRFJBIMHSA-N 453.012 5.477 50 10 JKGE Fc1cc(Cl)c([C@H](Cl)c2cc(Cl)c(Br)cc2F)cc1Br 2285942142 SXNHQBBRCGQWBJ-ZDUSSCGKSA-N 465.346 7.125 50 10 JKGE Cc1cccc(C)c1[C@@H](Br)c1c(F)cc(Br)c(F)c1Br 2288361161 AEYKBBPTNHHKJS-CYBMUJFWSA-N 468.961 6.591 50 10 JKGE N#CC(C(=O)Nc1ccccc1)=C1S[C@H](Cc2ccccc2Cl)C(=O)N1c1ccc(F)cc1 2293039027 VIAFLZVBDBVPPI-JOCHJYFZSA-N 477.948 5.544 50 10 JKGE CC(C=NNC(=O)CSc1nnc(-c2ccc(C)cc2)n1-c1ccc(C)cc1)=Cc1ccccc1 2293644702 MMTWBCANJADSGL-UHFFFAOYSA-N 481.625 5.849 50 10 JKGE N#CC(=CNc1ccccc1OC(F)(F)[C@@H](F)Cl)c1nc(-c2ccc([N+](=O)[O-])cc2)cs1 2295948580 NZAUATXKYUDEPT-LJQANCHMSA-N 480.855 6.201 50 10 JKGE CC(C)(C)[C@@H]1CCc2nc(NC(=O)C(C#N)=Cc3ccc(-c4ccc(Cl)cc4)o3)sc2C1 2297399312 LGEVCIOOVXTHIX-QGZVFWFLSA-N 466.006 6.753 50 10 JKGE COc1cc(C=C(C#N)C(=O)Nc2ccc([N+](=O)[O-])cc2)ccc1OCc1cccc2ccccc12 2297551540 QEFGDOSLQBXBNP-UHFFFAOYSA-N 479.492 5.881 50 10 JKGE Brc1ccc(OCc2ccccc2)c([C@@H](Br)[C@@H]2CCC[C@@H]3C[C@@H]32)c1 2299501241 MELPQNRTPVPBTN-OCQZMCQHSA-N 450.214 6.900 50 10 JKGE Clc1cc(I)c([C@@H](Br)c2ccc(Cl)c(Cl)c2)s1 2300954371 WVIHJELOBQUAEH-JTQLQIEISA-N 482.395 6.797 50 10 JKGE COc1cc(C=C(C#N)C(=O)Nc2cccc(C(F)(F)F)c2)ccc1OCc1cccc(F)c1 2313738563 HHWHJMDFXDEBBK-UHFFFAOYSA-N 470.422 5.978 50 10 JKGE Brc1ccc(OCc2ccccc2)c([C@@H](Br)[C@@H]2CC[C@H]3C[C@H]2CO3)c1 2314497592 LTXOXXVMRSYNSX-JWVYWZTKSA-N 466.213 6.279 50 10 JKGE C[C@H](c1ccccc1)[C@@H](Br)c1ccc(OCc2ccccc2)cc1Br 2314499614 DXEBKUSGIKSRDP-OPAMFIHVSA-N 460.209 7.268 50 10 JKGE Cc1cccc(NC(=O)C(C#N)=C2S[C@H](Cc3ccccc3)C(=O)N2c2ccc(C(C)C)cc2)c1 2314591999 JHFIWAGLKGMVQR-AREMUKBSSA-N 481.621 6.183 50 10 JKGE CCc1ccc(N2C(=O)[C@H](Cc3ccccc3C)SC2=C(C#N)C(=O)Nc2ccccc2C)cc1 2314592328 QZXRRBPZQDFUEU-SANMLTNESA-N 481.621 5.931 50 10 JKGE CC1=C(C#N)C(=O)N([C@H](C)c2ccccc2)C(=O)C1=Cc1ccc(OCc2ccc(F)cc2)cc1 2314618148 IDZIMUUHLMYLBC-HXUWFJFHSA-N 466.512 5.758 50 10 JKGE CCCCOc1ccc(C=C(C#N)C(=O)Nc2sc3c(c2C(=O)OCC)CC[C@H](C)C3)cc1 2314734716 GBJSTKAZYMIGOB-KRWDZBQOSA-N 466.603 5.774 50 10 JKGE Fc1cc(Br)c([C@H](Br)c2cnsc2Br)c(F)c1Cl 2315621790 ORIHFJBUMUIDFJ-SSDOTTSWSA-N 482.369 6.084 50 10 JKGE CC(C)(C)O[C@H]1C[C@@H]([C@@H](Br)c2sc(Cl)cc2I)C1 2316659649 VMTFXVUHTJHOIN-VHSKPIJISA-N 463.606 6.036 50 10 JKGE Clc1ccc([C@H](Br)c2ccc(Cl)c(Cl)c2)c(I)c1 2317775519 OTKZXIHRBMLPQD-CYBMUJFWSA-N 476.366 6.736 50 10 JKGE Cc1nc(OCc2cc(I)ccc2Br)sc1CCl 2319165476 SGZQGDLHFMVJAO-UHFFFAOYSA-N 458.546 5.136 50 10 JKGE CC[C@H](C)[C@H](C(O)=C(C#N)c1nc(-c2ccccc2OC)cs1)N1C(=O)c2ccccc2C1=O 2331282300 ARMXHAQSXOGWEQ-OYHNWAKOSA-N 473.554 5.322 50 10 JKGE COc1cc(C=CC(O)=C(C#N)c2nc(-c3ccc(F)cc3F)cs2)ccc1OC(C)=O 2331286517 CQCBXWKILYFSMJ-UHFFFAOYSA-N 454.454 5.528 50 10 JKGE CCOc1ccccc1OCC(O)=C(C#N)c1nc(-c2cc(C(C)(C)C)ccc2OC)cs1 2331350828 XKZNKEFTTPOXBH-UHFFFAOYSA-N 464.587 6.387 50 10 JKGE COc1ccc(-c2csc(C(C#N)=C(O)C(c3ccccc3)c3ccccc3)n2)c(OC)c1OC 2331412546 HXGVWPALIZYJRT-UHFFFAOYSA-N 484.577 6.461 50 10 JKGE Brc1ccc(OCc2ccccc2)c([C@H](Br)C2(c3ccccc3)CC2)c1 2336047431 LVQPCPJHGZWGCQ-QFIPXVFZSA-N 472.220 7.196 50 10 JKGE Cc1ccc([C@H](Br)c2cc(Br)ccc2OCc2ccccc2)c(F)c1F 2336075178 MWOUCLXKONNVRY-IBGZPJMESA-N 482.162 7.099 50 10 JKGE Clc1cccc([C@@H](CBr)Cc2ccc(Cl)c(I)c2)c1 2337224789 DPWUWRQVZUBAER-GFCCVEGCSA-N 469.975 6.319 50 10 JKGE FC(F)(F)[C@]12C[C@]([C@@H](Br)c3sc(Br)cc3Br)(CO1)C2 2338518460 KXPGRXMYDLEXGK-GUBZILKMSA-N 484.957 5.821 50 10 JKGE COc1c(Br)cc(C)c([C@@H](Br)C(F)(F)C(C)C)c1Br 2339659624 UXQABGSVFUOKPN-GFCCVEGCSA-N 464.970 6.256 50 10 JKGE CCOc1ccc([C@@H](Br)c2csc(C)c2Br)cc1Br 2343553455 KGLKPZPZJCSKDM-CQSZACIVSA-N 469.036 6.465 50 10 JKGE Cc1ccc(N2CCCN(Cc3ccccc3)CC(F)(F)C2)c(CBr)c1Cl 2360538149 OOBSYTDQLJQNFU-UHFFFAOYSA-N 457.790 5.891 50 10 JKGE Cc1cc(Br)c(F)c(Br)c1[C@H](Br)[C@@H]1CC[C@H]1C(F)(F)F 2365192413 CHBFIPFKPZDUQJ-BRDIYROLSA-N 482.935 6.684 50 10 JKGE CC[C@H](O[C@@H]1CN(C(=O)OC(C)(C)C)C[C@H]1Br)c1ccc(C(F)(F)F)cc1 2369785475 XWDKQEKIYBKGJW-OWCLPIDISA-N 452.311 5.556 50 10 JKGE Clc1ccc(I)cc1C[C@@H](CBr)CCc1ccccc1 2380519840 ROYGCFCDMOMVMF-AWEZNQCLSA-N 463.584 6.131 50 10 JKGE Cc1cc(C)c([C@H]2[C@H]3CCCC=C3C(C#N)=C(N)C2(C#N)C#N)cc1COc1ccc(F)cc1 2727499 JVMTVKQUNJGPSW-JYFHCDHNSA-N 452.533 5.615 50 10 JKGE CCSc1sccc1[C@@H]1C(C#N)=C(N)N(c2ccccc2C)C2=C1C(=O)C[C@@H](c1ccccc1)C2 9982534 SZRMOCQETDPVAJ-RXFWQSSRSA-N 497.689 6.867 50 10 JKGE O=C(C=C(Sc1ccccc1)Sc1ccccc1)N/N=C/c1c(O)ccc2ccccc12 20806878 INCSBDVIFVXICK-OVVQPSECSA-N 456.592 6.422 50 10 JKGE N#C/C(=C/c1ccc(-n2nc(-c3ccccc3)cc2-c2ccccc2)cc1)C(=O)NCCc1ccccc1 33568561 MXBVUEZFMIIOBL-IADYIPOJSA-N 494.598 6.472 50 10 JKGE Cc1ccc(NC(=O)/C(C#N)=C2/S[C@@H](Cc3cccc(Cl)c3)C(=O)N2c2ccc(F)cc2)cc1 33579569 DFIGKHHWVHIIPP-GPSDDGMOSA-N 491.975 5.853 50 10 JKGE O=C(N/N=C/c1ccc(OCc2cccc3ccccc23)c(Br)c1)c1cc2ccccc2o1 33925456 HWLZFYBUPOHHNI-MUFRIFMGSA-N 499.364 6.691 50 10 JKGE CCCOc1ccccc1C(=O)Oc1ccc2c(c1)OC(N)=C(C#N)[C@@H]2c1c(Cl)cccc1Cl 38680041 NTQWNMLGPFWBKO-HSZRJFAPSA-N 495.362 6.220 50 10 JKGE CCCCOc1ccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)Cc4ccccc4)ccc32)cc1OCC 38684088 MHMJZIWKLLMEAX-LJAQVGFWSA-N 498.579 5.630 50 10 JKGE N#CC1=C(N)Oc2cc(OC(=O)c3sc4ccccc4c3Cl)ccc2[C@H]1c1cccc(F)c1 38700467 FVTQSUQWMUIKCO-OAQYLSRUSA-N 476.916 6.131 50 10 JKGE N#C/C(=C\c1ccc(-c2ccc(Cl)cc2)o1)C(=O)Nc1sc2c(c1C(N)=O)CCCC2 39884976 JGBMDWJXNPFTSY-SDNWHVSQSA-N 451.935 5.185 50 10 JKGE COc1ccccc1C(=O)N/N=C1\CCCc2oc(C(=O)Oc3ccc(Cl)cc3Cl)c(C)c21 40813225 HPPWWYJGIASCKG-WPWMEQJKSA-N 487.339 5.593 50 10 JKGE CCN(C(=O)c1oc2c(c1C)/C(=N/NC(=O)c1ccc(Cl)c([N+](=O)[O-])c1)CCC2)c1ccccc1 40813480 AYFDYIHGRAOVHG-ZXVVBBHZSA-N 494.935 5.287 50 10 JKGE CCCCCCOc1ccc(/C=C(\C#N)C(=O)Nc2cc(C)c(Cl)cc2OC)cc1OC 40859419 LUSKIWGCDZVXIY-CPNJWEJPSA-N 456.970 6.170 50 10 JKGE C/C(=N/NC(=O)CSc1nnc(-c2cccnc2)n1-c1ccccc1)c1ccc2ccccc2c1 58991283 UIJLKAKAQBHRGB-CEUNXORHSA-N 478.581 5.115 50 10 JKGE N#C/C(=C/c1cc([N+](=O)[O-])ccc1N1CCCCC1)c1nc(-c2ccc(Cl)cc2Cl)cs1 96021942 ZCXCWFKUFDUILD-YBEGLDIGSA-N 485.396 7.080 50 10 JKGE CCOc1cc(/C=C(/C#N)C(=O)Nc2sccc2C#N)c(Br)cc1OC(C)C 96504433 OACMXPKREUFJSB-CHHVJCJISA-N 460.353 5.114 50 10 JKGE Cc1cccc(C)c1/N=C(O)/C(C#N)=C1\S[C@H](Cc2cccc(Cl)c2)C(=O)N1c1ccccc1 97466218 ZVIFZAKZKQVENH-ARFXMCQGSA-N 488.012 6.671 50 10 JKGE N#C/C(=C/Nc1ccccc1OC(F)(F)[C@@H](F)Cl)c1nc(-c2ccc([N+](=O)[O-])cc2)cs1 102420774 NZAUATXKYUDEPT-QTJNJRLBSA-N 480.855 6.201 50 10 JKGE CCCCCCCCOc1ccc(OCC(=O)NNC(=O)Nc2cccc(C(F)(F)F)c2)cc1 103621710 IYOKFPBHCCUXCY-UHFFFAOYSA-N 481.515 5.676 50 10 JKGE Cc1ccc(N/C(SCc2cccc(Br)c2)=C(\C#N)C(=O)NCc2ccco2)cc1C 105422723 FJJSFSQFFPBAIT-GYHWCHFESA-N 496.430 6.056 50 10 JKGE COCCCNC(=O)/C(C#N)=C(\Nc1ccc(F)cc1)SCc1c(C)c(C)c(C)c(C)c1C 107368750 WRLVUVUPDBVWBF-WNAAXNPUSA-N 469.626 5.601 50 10 JKGE COc1c(Br)cc(Cl)cc1[C@H](Br)Cc1ccc(Br)cc1 109836632 HYWOCRYJYKJRPT-CYBMUJFWSA-N 483.425 6.552 50 10 JKGE O=S(=O)(Nc1c(Cl)cc(Br)cc1Cl)c1ccc(CBr)cc1 115917510 KVDIURXMUNNBCH-UHFFFAOYSA-N 474.001 5.452 50 10 JKGE COc1ccc([C@H](Cl)c2cc(Br)c(Br)s2)cc1Br 128093120 FOVFDXYOBYLAJK-NSHDSACASA-N 475.427 6.372 50 10 JKGE Clc1ccc(Cl)c([C@H](Br)c2cc(Br)c(Br)s2)c1 128188924 AZIJDFNSAMNGIW-JTQLQIEISA-N 479.846 7.064 50 10 JKGE Cc1ccc([C@@H](Br)c2ccc(Br)c3ccccc23)c(Br)c1 161447255 HUVWQBPDHDAWGC-SFHVURJKSA-N 469.014 7.158 50 10 JKGE 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 195783147 KUJXAJMABXMSCW-JPRFJFLJSA-N 460.775 7.170 50 10 JKGE CCOC(=O)/C(C#N)=C\c1cccc(OC(=O)/C=C/c2ccc(OCc3ccccc3)c(OC)c2)c1 206688077 OLRYCKIIOAAAFM-WKURLSIOSA-N 483.520 5.363 50 10 JKGE CC1=C(C#N)C(=O)N(Cc2ccc(F)cc2)C(=O)/C1=C\c1ccc(OCc2ccc(C)cc2)cc1 214411401 RKZGDKBLMYLALY-YSMPRRRNSA-N 466.512 5.506 50 10 JKGE Cc1ccc2nc(-c3ccc(N/C=C(/C#N)C(=O)N4CCC(Cc5ccccc5)CC4)cc3)sc2c1 216887532 IRDXTQFONVJTOX-QQTULTPQSA-N 492.648 6.572 50 10 JKGE CCOc1ccc([C@H](Cl)c2ccccc2I)cc1Br 228989613 GBQQPWSINZJGAC-HNNXBMFYSA-N 451.529 5.781 50 10 JKGE CC(C)Cc1ccc([C@H](Cl)c2cc(I)ccc2Br)cc1 232624904 OBDNOLHPCBMREX-KRWDZBQOSA-N 463.584 6.580 50 10 JKGE Clc1ccc(I)c([C@@H](Br)c2sccc2Br)c1 236069230 OQHQECNKRANXFJ-SNVBAGLBSA-N 492.401 6.253 50 10 JKGE O=C(COc1ccc(-c2ccccc2)cc1)NN=Cc1ccc(OC(=O)c2ccccc2F)cc1 254290717 AFSSHRIPFXEYPB-UHFFFAOYSA-N 468.484 5.241 50 10 JKGE CCOc1ccccc1C(=O)NN=Cc1cccc(OCc2cccc(Br)c2)c1 254583036 KTLJMKHFBGHRTA-UHFFFAOYSA-N 453.336 5.191 50 10 JKGE O=C(CC(=O)NN=Cc1ccc(-c2ccccc2)cc1)NN=Cc1ccc(-c2ccccc2)cc1 254617009 YYKSKHJNURPXTD-UHFFFAOYSA-N 460.537 5.011 50 10 JKGE CCCCCC[C@@H](C)OC1(CI)CCN(C(=O)OC(C)(C)C)CC1 303741859 QXWBBPNROANPJI-MRXNPFEDSA-N 453.405 5.567 50 10 JKGE C[C@]1(CI)CC[C@H](c2cc(Br)cc(Br)c2)O1 394574714 RFBDPAAIAOPJHE-VXGBXAGGSA-N 459.947 5.257 50 10 JKGE COc1ccc(Br)cc1[C@@H]1CN(Cc2ccccc2)C[C@@H]1CI 394767141 CMLWGVRNORUWTE-MAUKXSAKSA-N 486.191 5.108 50 10 JKGE Clc1cc([C@@H](Br)c2nscc2Br)sc1Br 404711173 MOYOBGOWSWTBKE-ZCFIWIBFSA-N 452.418 5.867 50 10 JKGE Cl[C@@H](c1cscc1Br)c1cc(I)cc2c1OCC2 404711220 MSYYXVYMPPQYSC-GFCCVEGCSA-N 455.542 5.378 50 10 JKGE CC(C)(C)[Si](C)(C)OCc1ccc([C@@H]2CN(S(=O)(=O)c3ccccc3)CCCO2)cc1 616599658 YHXCISIKOUFCEH-QHCPKHFHSA-N 461.700 5.361 50 10 JKGE CC(C)(C)[Si](C)(C)OCCN1CCC[C@H](c2ccccc2CO[Si](C)(C)C(C)(C)C)CC1 616600717 LPKJGUSIVGIOJZ-QHCPKHFHSA-N 477.882 7.800 50 10 JKGE CC(C)(C)OC(=O)NCCN1CCCO[C@H](c2ccccc2CCO[Si](C)(C)C(C)(C)C)C1 616682240 WPDVRZGDJVIRII-QHCPKHFHSA-N 478.750 5.539 50 10 JKGE Brc1csnc1[C@@H](Br)c1cc(Br)c2c(c1)CCCO2 689543869 HYGIYDCRCVUNCJ-NSHDSACASA-N 468.008 5.477 50 10 JKGE Fc1ccc([C@@H](Br)c2ccc(I)cc2)c(F)c1Br 691543636 VAYKDJKPBGKENR-NSHDSACASA-N 487.907 5.816 50 10 JKGE Cc1cc2c(cc1F)nc([C@@H](C)Cl)n2CC1(N(Cc2ccccc2)Cc2ccccc2)COC1 705604322 KZGRGWNQKYVHRU-OAQYLSRUSA-N 478.011 6.255 50 10 JKGE C[C@H]1CN(Cc2ccccc2)C[C@@H]1CCn1c(CCl)nc2cc(I)ccc21 723746798 WRLNEYHOIUTTNJ-WMZOPIPTSA-N 493.820 5.538 50 10 JKGE C[C@@H](SCc1ccccc1)C(=O)NN=C1C(=O)N(Cc2ccccc2Cl)c2ccccc21 1083928676 LFESGDUZZLDXBF-QGZVFWFLSA-N 463.990 5.029 50 10 JKGE CCOc1cc(/C=C(/C#N)C(=O)Nc2cccc3ccccc23)ccc1OC(=O)c1ccccc1 1084076823 QRPKZOKRLUOOEU-QJOMJCCJSA-N 462.505 6.003 50 10 JKGE CN(C)C(=O)/C(C#N)=C/c1cc(Br)ccc1OCc1ccc(Cl)cc1Cl 1084264448 CNSCMMFBXOORIN-VGOFMYFVSA-N 454.151 5.330 50 10 JKGE CCOc1cc(/C=C(/C#N)C(=O)Nc2cccc([N+](=O)[O-])c2)ccc1OC(=O)c1ccc(C)cc1 1084335146 KDWJXLQJLLHASQ-MOSHPQCFSA-N 471.469 5.067 50 10 JKGE O=C(NN=Cc1cc(Br)c(Sc2ccc(Cl)cc2)o1)Nc1ccccc1Cl 1084530467 NFXGTUZARFYYPY-UHFFFAOYSA-N 485.190 6.656 50 10 JKGE O=C(NN=Cc1cccc(OCc2ccccc2Cl)c1)C(=O)Nc1cccc(Cl)c1Cl 1084535533 MXYVUSBDOFOBQX-UHFFFAOYSA-N 476.747 5.315 50 10 JKGE COc1cccc(NC(=O)c2oc3c(c2C)C(=NNC(=O)c2cccc4ccccc24)CCC3)c1 1772749100 WPZDHCITALIAPT-UHFFFAOYSA-N 467.525 5.473 50 10 JKGE CCCCOc1ccc(NC(=O)c2oc3c(c2C)C(=NNC(=O)c2ccccc2O)CCC3)cc1 1772752178 WYLDYZHBZSLCJC-UHFFFAOYSA-N 475.545 5.195 50 10 JKGE CC(C)(C)CC(C)(C)c1ccc(OCC(=O)NN=C2C(=O)N(Cc3ccccc3)c3ccccc32)cc1 1772752515 XJKGDBAEXILPHN-UHFFFAOYSA-N 497.639 5.847 50 10 JKGE O=C(CSc1nc2ccccc2[nH]1)NN=Cc1cccc(OCc2cccc(Cl)c2)c1 1772760304 ALLPOFLGLUQPGZ-UHFFFAOYSA-N 450.951 5.038 50 10 JKGE N#CC1=C(N)Oc2c(c(C(F)(F)F)nn2-c2ccc(Cl)c(Cl)c2)[C@@H]1c1ccc(Cl)cc1 1865684171 VJGAGEAZWNYMMO-OAHLLOKOSA-N 485.680 6.069 50 10 JKGE N#CC1=C(N)Oc2c(c(-c3ccccc3)nn2Cc2cccc(F)c2)[C@H]1c1c(F)cccc1Cl 1865685263 HIVSNJQYBCCFCV-OAQYLSRUSA-N 474.898 5.748 50 10 JKGE CCCOc1cccc([C@@H]2C(C#N)=C(N)Oc3c2c(-c2ccccc2)nn3-c2cccc3ccccc23)c1 1865692266 AGWKVDKQKRNCSB-MUUNZHRXSA-N 498.586 6.699 50 10 JKGE Cc1nn(CC(C)C)c2c1[C@@H](c1c(OCc3ccccc3)ccc3ccccc13)C(C#N)=C(N)O2 1865703801 GBHIYRRFHFLISW-MHZLTWQESA-N 464.569 5.798 50 10 JKGE N#CC1=C(N)Oc2c(c(C(F)(F)F)nn2-c2ccc(Br)cc2)[C@H]1c1cccc(F)c1 1865710938 MAXIUWVCGWPJFY-HNNXBMFYSA-N 479.231 5.011 50 10 JKGE N#CC1=C(N)Oc2c(c(C(F)(F)F)nn2Cc2ccc(F)cc2)[C@@H]1c1ccc(Br)cc1 1865715151 XWFVIXIERVBORJ-MRXNPFEDSA-N 493.258 5.070 50 10 JKGE COc1ccc([C@H](C(=O)N[C@H](C(=O)Nc2ccc(SC#N)cc2)c2ccccc2)C(C)C)cc1 1866981964 YTEZJYFKSWPJLS-RPBOFIJWSA-N 473.598 5.504 50 10 JKGE N#CSc1ccc(NC(=O)[C@H](NC(=O)CCc2csc(-c3ccncc3)n2)c2ccccc2)cc1 1867062950 ITYNPOPXFARHTL-XMMPIXPASA-N 499.621 5.207 50 10 JKGE Cc1cc(OCc2ccc(CCl)cc2)cc2c1C(=O)/C(=C/c1ccccc1Br)O2 1871436675 KMUKKGHXGASHHY-JJFYIABZSA-N 469.762 6.692 50 10 JKGE CCc1ccc(OCCC/C(O)=C(\C#N)c2nc(-c3cccc(OC)c3)cs2)c(Br)c1 1872744078 GKLPGYLTPHDTKA-QOCHGBHMSA-N 499.430 6.795 50 10 JKGE COc1cc(/C=C/C(O)=C(\C#N)c2nc(-c3cc(C)cc(C)c3OC)cs2)ccc1OC(C)=O 1872755038 VNLOXOXVXPOZBO-YHZASVFKSA-N 476.554 5.876 50 10 JKGE COc1c(C)cc(Cl)cc1-c1csc(/C(C#N)=C(\O)CCCOc2ccc3ccccc3c2)n1 1872757105 QQGZIJOUBCAYNZ-BZZOAKBMSA-N 491.012 7.586 50 10 JKGE COc1c(Cl)cc(Cl)cc1-c1csc([C@@H](C#N)C(=O)/C(C#N)=C/c2ccccc2)n1 1872778090 CXTJEIDBYPGYJQ-VRXKTSEUSA-N 454.338 5.909 50 10 JKGE N#C/C(=C\c1cc(Br)ccc1O)c1nc(-c2ccc(Br)cc2)cs1 1872780851 NXPHRTJAWXLZHZ-NTUHNPAUSA-N 462.166 6.105 50 10 JKGE CCOc1cc(/C=C(\C#N)c2nc(-c3ccc4c(c3)CCCC4)cs2)cc(Br)c1O 1872782684 PBTCDMHMNFGJQX-DJKKODMXSA-N 481.415 6.620 50 10 JKGE CCOc1c(Br)cc(/C=C(\C#N)c2nc(-c3ccc4c(c3)OCCO4)cs2)cc1OC 1872791535 KYEUFPVUDNPPOZ-LZYBPNLTSA-N 499.386 5.815 50 10 JKGE COc1cc(/C=C(\C#N)c2nc(-c3ccc4c(c3)OCCO4)cs2)ccc1OCc1ccccc1 1872791857 VSWXDMBUODINFI-LPYMAVHISA-N 482.561 6.233 50 10 JKGE CCCCOc1ccc(/C=C(\C#N)c2nc(-c3cc(Cl)ccc3OC)cs2)cc1OC 1872795271 WOSQOENGVBLBAE-GZTJUZNOSA-N 454.979 6.724 50 10 JKGE COc1ccc(OC)c(-c2csc(/C(C#N)=C(O)/C=C/c3ccc(OC(C)=O)c(OC)c3)n2)c1 1873920584 JFWMMVGAVQXLCA-DYBBPNSKSA-N 478.526 5.267 50 10 JKGE CC[C@H](C)N1C(=O)c2ccc(/C(O)=C(\C#N)c3nc(-c4cc(OC)ccc4OC)cs3)cc2C1=O 1873921288 ZZTCESIQLGAHKR-KPRDTPMASA-N 489.553 5.172 50 10 JKGE C[C@H]1OCC[C@H]1CCOc1c(Br)cc(CBr)cc1Br 1885698098 ZAIXZBZIEWZJDD-KOLCDFICSA-N 457.000 5.300 50 10 JKGE FC(F)[C@@H]1C[C@@H]1[C@H](Br)c1c(Br)sc(Br)c1Cl 1894330128 BOEGHFAKORRVJB-LWKDLAHASA-N 459.375 6.264 50 10 JKGE BrC[C@H](CSc1cc(I)ccc1Br)C1CC1 1900780833 QYTMYDMLWKPWPY-SECBINFHSA-N 476.015 5.567 50 10 JKGE FC(F)(F)c1cc(CN(CCCBr)Cc2ccccc2)cc(C(F)(F)F)c1 1914605410 ITYVXSKWBSKGOE-UHFFFAOYSA-N 454.252 6.511 50 10 JKGE CC1(C)[C@H]2CC[C@@H](C2)[C@H]1[C@@H](Br)c1sc(Br)cc1Br 1922882441 GUJOEEGKFAIRQP-RJVLYZLMSA-N 457.069 6.781 50 10 JKGE COc1cccc(C[C@@H](Br)c2sc(Br)cc2Br)c1 1922946192 OVGYNXDRNPIMCV-SNVBAGLBSA-N 455.009 5.960 50 10 JKGE Cc1cc(F)ccc1[C@H](Br)c1c(Br)sc(Br)c1Cl 1923040530 VFUDBLLKLQDWLW-VIFPVBQESA-N 477.418 6.858 50 10 JKGE FC(F)(F)COCC[C@H](Cl)c1c(Br)sc(Br)c1Cl 1923050115 QKYSFBOOCYCJCE-BYPYZUCNSA-N 450.929 6.175 50 10 JKGE Cl[C@H](c1c(Br)sc(Br)c1Br)C1CC2(CCCC2)C1 1924568561 ILKWEMZKUBVMBB-JTQLQIEISA-N 477.487 7.286 50 10 JKGE Clc1ccc([C@@H](Cl)c2c(Br)sc(Br)c2Br)s1 1924580402 RMQCLCAUPJYQTA-SSDOTTSWSA-N 485.875 7.079 50 10 JKGE Clc1sc(Br)c(Cl)c1[C@@H](Br)c1ccccc1Br 1925570754 KGPDUMNISLFUKV-QMMMGPOBSA-N 479.846 7.064 50 10 JKGE Fc1cccc(Br)c1[C@@H](Br)c1c(Cl)sc(Br)c1Cl 1925583973 HDJCXGCYXQGNJR-MRVPVSSYSA-N 497.836 7.203 50 10 JKGE Cc1cc(Br)sc1[C@@H](Cl)c1c(Br)cccc1Br 1950214839 KLKDWJVTKZYTLI-NSHDSACASA-N 459.428 6.672 50 10 JKGE Cc1cc(Br)c(CBr)c(N(Cc2ccccc2)Cc2ccccc2)c1 1953328986 XYYZEWYJFZGOJP-UHFFFAOYSA-N 459.225 6.859 50 10 JKGE CC(CBr)(CBr)Cc1cc(Br)ccc1Br 1962458293 FYWWZGSECCDCKJ-UHFFFAOYSA-N 463.833 5.550 50 10 JKGE CC1(F)CC([C@H](Br)c2c(Br)sc(Br)c2Br)C1 1986900021 SXJHIUWSKXKLIG-SIPCTPOTSA-N 499.863 6.610 50 10 JKGE Cc1cc([C@@H](Br)c2c(Br)sc(C)c2C)c(Br)s1 2024028633 NSQSFDCMWXFBOS-SNVBAGLBSA-N 459.066 6.744 50 10 JKGE Cc1cc(Br)ccc1S(=O)(=O)N(Cc1ccccc1)[C@@H](C)CCBr 2025940124 UAGMPKQVCQFPFK-HNNXBMFYSA-N 475.246 5.122 50 10 JKGE CCCc1ccc([C@H](Cl)c2ccc(I)c(Br)c2)s1 2027125978 SUKKPAVAQZDBQD-CQSZACIVSA-N 455.586 6.396 50 10 JKGE Cc1c(Cl)cc([C@H](Br)c2cc(Cl)c(Br)s2)cc1Br 2048502699 BPJYNJBADAWBOB-NSHDSACASA-N 493.873 7.373 50 10 JKGE CCc1nc([C@@H](Br)c2c(Cl)sc(Cl)c2Cl)c(Br)s1 2050332056 VBWJDPPYAMIALF-YFKPBYRVSA-N 470.466 6.974 50 10 JKGE ClC[C@@H](Cc1cccc(Br)c1Br)c1ccc(Br)cc1 2092333631 BNUURUJLVTZILG-GFCCVEGCSA-N 467.426 6.539 50 10 JKGE O=C(c1scc(Br)c1Br)N1CC2(CCC2)C[C@@H]1CBr 2095169214 WPTGIOLLQLNJHK-MRVPVSSYSA-N 472.040 5.053 50 10 JKGE Cc1c(Br)cccc1[C@H](Br)c1cc(Br)c(Cl)cc1F 2097835099 PYRKAMDRWYMQCQ-AWEZNQCLSA-N 471.389 6.797 50 10 JKGE Brc1cccc(CC[C@@H](Br)CN2CCCCC2)c1Br 2099487600 XSFQIXVEGDKFEL-CYBMUJFWSA-N 454.044 5.394 50 10 JKGE C[C@@H]1CCC[C@](CBr)(Cc2cccc(Br)c2Br)CC1 2100844255 GIVXCRWRUPSKEZ-MLGOLLRUSA-N 453.056 6.736 50 10 JKGE Clc1c(Br)sc(Br)c1[C@@H](Cl)c1cc2ncccc2s1 2108677034 BHFWSECJGONYMI-VIFPVBQESA-N 458.027 6.864 50 10 JKGE O=C(c1csc(Br)c1Br)N1C[C@H](Br)CCC12CCC2 2117901505 BDLWLXLFRGTZQA-MRVPVSSYSA-N 472.040 5.195 50 10 JKGE O=C(c1cc(Br)c(Br)s1)N1CC[C@H](CBr)C12CCC2 2133825482 OPQOSCHETJWKPS-MRVPVSSYSA-N 472.040 5.053 50 10 JKGE CC(C)(C)OC(=O)N1CCC(CI)(OC[C@H]2C[C@H]2c2ccccc2)CC1 2135980200 PNRGIRFNLIJARC-MSOLQXFVSA-N 471.379 5.011 50 10 JKGE Cc1cc(Br)c(C)c([C@@H](Br)[C@H]2CC[C@H](C)CC2)c1Br 2136377455 PEDWQIMJYOOLNT-HCYDYPBKSA-N 453.056 7.091 50 10 JKGE Cc1oc(Br)cc1[C@@H](Br)c1c(Br)cc(F)c(Cl)c1F 2136958391 JFKHDMKDQBVICF-SNVBAGLBSA-N 479.340 6.529 50 10 JKGE COc1c(Br)cc(C)cc1[C@H](Br)c1cccc(I)c1 2139004687 XSJVOJBPBQSQIM-CQSZACIVSA-N 495.980 5.855 50 10 JKGE C[C@H](Cl)c1nc2cc(Br)c(Cl)cc2n1Cc1ccn(Cc2ccccc2)n1 2160078079 FHHCQOIBLZOWRM-ZDUSSCGKSA-N 464.194 6.045 50 10 JKGE CC1(C)CC([C@H](Cl)c2c(Br)sc(Br)c2Cl)CC(C)(C)C1 2193418018 CQQQTQYMGAWVFQ-JTQLQIEISA-N 463.106 8.059 50 10 JKGE BrC[C@H](Cc1ccccc1Br)Cc1nscc1Br 2219921274 PFSVTUVGXXFKHV-SECBINFHSA-N 454.025 5.464 50 10 JKGE CC[C@H](C)[C@H](CI)NCc1c(Br)sc2ccccc12 2224703168 WQTQQTVOPVNGFY-GWCFXTLKSA-N 452.199 5.603 50 10 JKGE Fc1cc(Br)c(Br)cc1[C@H](Br)[C@H]1C[C@@H]1C1CCCC1 2225618502 XWINVLXRHMLWQV-HFBDOXOYSA-N 455.003 6.613 50 10 JKGE Cc1csc([C@H](Br)c2c(Br)cc(Cl)c(Cl)c2Cl)c1C 2225886150 HODBRTBPINXEKF-SNVBAGLBSA-N 463.449 7.572 50 10 JKGE Cc1cc([C@@H](Br)c2c(Br)cc(C)c(Br)c2C)c(C)o1 2227346540 DVOILIGONGSJIF-OAHLLOKOSA-N 450.996 6.523 50 10 JKGE CCOCc1cc(Br)c([C@H](Br)c2c(C)nn(C)c2Br)s1 2233014599 CFUWFXQSAQRJDS-LLVKDONJSA-N 487.055 5.336 50 10 JKGE Cc1cc(Br)c([C@H](Br)C[C@@H]2CCC[C@H]3C[C@@H]32)c(C)c1Br 2235607238 YTRXINZENVTWBR-PWNZVWSESA-N 465.067 7.091 50 10 JKGE CC(C)(C)OC(=O)N1CCC[C@](CBr)(OCc2ccccc2C(F)(F)F)C1 2236066807 ZRMHAISJIVDWCH-GOSISDBHSA-N 452.311 5.387 50 10 JKGE COc1cc([C@H](Br)c2csc(Br)c2Br)c(OC)cc1C 2236794656 JWQICPTVUIDMHT-LBPRGKRZSA-N 485.035 6.083 50 10 JKGE Fc1cc(F)c([C@H](Br)c2scc(Br)c2Cl)c(F)c1Br 2264610206 SKPOYJHXPFYUAR-QMMMGPOBSA-N 499.371 6.828 50 10 JKGE COc1c([C@@H](Br)c2sncc2Br)cc(Br)c(C)c1C 2269167655 KFBNSYYZLWNFFO-LLVKDONJSA-N 470.024 5.778 50 10 JKGE C[C@H](CC(F)(F)F)[C@H](Br)c1c(F)cc(Br)c(F)c1Br 2272855497 XEYRCRQCLJMMPA-VHWMUFPASA-N 474.887 6.514 50 10 JKGE Cc1cc([C@@H](Br)Cc2ccc(Cl)c(F)c2)ccc1I 2277809162 VTPPCOIBYNWAPT-LBPRGKRZSA-N 453.520 6.071 50 10 JKGE Brc1cc(Br)cc(C[C@H](Br)[C@H]2[C@H]3CCCCC[C@H]32)c1 2277965894 ONIIEGCJBIUHHG-FZKCQIBNSA-N 451.040 6.344 50 10 JKGE Fc1cc(Br)c(F)c(Br)c1[C@H](Cl)c1cc2sccc2s1 2288357331 VGYXTEIHJZFZBN-GFCCVEGCSA-N 458.574 7.094 50 10 JKGE COc1ccc(NC(=O)C(C#N)=C2S[C@H](Cc3ccc(C)cc3)C(=O)N2c2ccccc2)cc1 2295982170 VEVDPZUVYFCVIQ-XMMPIXPASA-N 469.566 5.069 50 10 JKGE CCOc1cc(C=C(C#N)c2ccc([N+](=O)[O-])cc2)ccc1OCC(=O)Nc1ccc(OC)cc1 2297373226 HUIFIRQANFUXNN-UHFFFAOYSA-N 473.485 5.084 50 10 JKGE Brc1cc(OCc2ccccc2)ccc1[C@H](Br)[C@H]1C[C@]12CCOC2 2299506551 BHQHWKMEFVVQPJ-HOJAQTOUSA-N 452.186 5.891 50 10 JKGE C[C@H]1CCC[C@]1(CBr)Cc1ccc(I)c(Br)c1 2306232080 PYMQZYULXADTFM-IINYFYTJSA-N 472.002 5.798 50 10 JKGE C[C@@]1([C@@H](Br)c2ccc(OCc3ccccc3)cc2Br)CCCC1(F)F 2314440015 LUVRSVWPGKYXAY-OALUTQOASA-N 474.183 7.290 50 10 JKGE C[C@@H]1CCC[C@H]([C@@H](Br)c2ccc(OCc3ccccc3)cc2Br)CC1 2314441108 VYEDMLCJLJGBJM-TVTNDZMWSA-N 466.257 7.681 50 10 JKGE Fc1ccc([C@H](Br)c2cc(Br)ccc2OCc2ccccc2)c(Cl)c1 2314448068 DUBVVGFSDJERKW-FQEVSTJZSA-N 484.590 7.305 50 10 JKGE Cc1ccc(C[C@@H](Br)c2cc(Br)ccc2OCc2ccccc2)cc1 2314448902 LPLYGVYFEZFGSI-OAQYLSRUSA-N 460.209 7.015 50 10 JKGE N#CC(=C(O)c1ccc(-c2ccccc2Cl)o1)c1nc(-c2ccc3ccccc3c2)cs1 2314457403 IIGBKMXCTLAQIT-UHFFFAOYSA-N 454.938 7.827 50 10 JKGE CCOc1cccc(-c2nn(-c3ccccc3)cc2C=C(C#N)S(=O)(=O)c2ccc(C)c(C)c2)c1 2314522505 MDZFYPMERHBEKO-UHFFFAOYSA-N 483.593 5.893 50 10 JKGE Fc1c(Br)cc(Cl)c([C@@H](Br)C2CC3(CC3)C2)c1Br 2315460530 KMAGCVOVJXQGIG-JTQLQIEISA-N 461.394 6.630 50 10 JKGE CC12CC(C1)[C@H]([C@H](Br)c1ccc(OCc3ccccc3)cc1Br)CO2 2315920134 SJMDQUXIWXKVHJ-DVXKCVGBSA-N 466.213 6.279 50 10 JKGE Cc1nc(C[C@@H](Br)c2ccc(Cl)cc2I)sc1C 2317745346 UOAPLWDZNCBRSW-LLVKDONJSA-N 456.574 5.697 50 10 JKGE N#CC(=CN1CCN(c2ccccc2F)CC1)C(=O)Nc1ccccc1Sc1ccccc1 2325339605 NJTJIFZQGQZPJG-UHFFFAOYSA-N 458.562 5.145 50 10 JKGE Cc1c(OCc2cccc(CCl)c2)ccc2c1OC(=Cc1cccc(Br)c1)C2=O 2325361417 SSUILONHEZGWLL-UHFFFAOYSA-N 469.762 6.692 50 10 JKGE N#CC(=Cc1cccc(Br)c1)C(=O)Nc1ccc(Cl)cc1C(=O)c1ccccc1 2329697215 UNCIIKGKNDJMMZ-UHFFFAOYSA-N 465.734 5.879 50 10 JKGE CC(C)(C)c1ccc(C=CC(O)=C(C#N)c2nc(-c3ccc(Cl)cc3Cl)cs2)cc1 2331251059 IXABATSTEGHUEJ-UHFFFAOYSA-N 455.410 7.920 50 10 JKGE Cc1cc(OCCCC(O)=C(C#N)c2nc(-c3ccc(Cl)c(Cl)c3)cs2)cc(C)c1Cl 2331311636 IAPGXZDEEQWDLK-UHFFFAOYSA-N 493.843 8.039 50 10 JKGE COc1ccc(C=C(C(O)=C(C#N)c2nc(-c3cc(C)ccc3OC)cs2)c2ccccc2)cc1 2331322985 QBFIEVHVFCXKBZ-UHFFFAOYSA-N 480.589 7.169 50 10 JKGE CC(C)c1ccc(-c2csc(C(C#N)=C(O)c3ccccc3I)n2)cc1 2331343175 ZBJYYFWPUIYHCQ-UHFFFAOYSA-N 472.351 6.488 50 10 JKGE COc1c(Cl)cc(Cl)cc1-c1csc(C(C#N)=C(O)COc2ccc(C)cc2C)n1 2331362833 UEQQYSTTXYEMCZ-UHFFFAOYSA-N 461.370 6.614 50 10 JKGE COc1c(C)cc(C)cc1-c1csc(C(C#N)=C(O)CCCOc2cc(C)c(Cl)c(C)c2)n1 2331373109 AGLGQZULXMLFHD-UHFFFAOYSA-N 483.033 7.358 50 10 JKGE COc1cc(-c2csc(C(C#N)=C(O)COc3c(C)ccc(C)c3C)n2)c(OC)cc1Cl 2331377004 VPEHJEMMZDMNNJ-UHFFFAOYSA-N 470.978 6.278 50 10 JKGE COc1ccc(C=CC(O)=C(C#N)c2nc(-c3cc(Cl)c(OC)cc3OC)cs2)c(OC)c1 2331378721 UYVUUOSACMCMFO-UHFFFAOYSA-N 484.961 6.004 50 10 JKGE CC[C@@H](C)[C@H](C(O)=C(C#N)c1nc(-c2ccc(C)c(C)c2)cs1)N1C(=O)c2ccccc2C1=O 2331385214 KGVFROGIXIOLBB-IQMFZBJNSA-N 471.582 5.931 50 10 JKGE COc1ccc(-c2csc(C(C#N)=Cc3cc(Br)cc(OC)c3O)n2)cc1OC 2331417437 PLFWTIXOJJFFRM-UHFFFAOYSA-N 473.348 5.368 50 10 JKGE COc1ccc(-c2csc(C(C#N)=Cc3ccc(OCCc4ccccc4)c(OC)c3)n2)cc1 2331431233 FBCGBQXUDQPFPX-UHFFFAOYSA-N 468.578 6.513 50 10 JKGE COc1c(Cl)cc(Cl)cc1-c1csc(C(C#N)=Cc2cc(Br)ccc2F)n1 2331467706 WGVVNTWUTNPBSW-UHFFFAOYSA-N 484.177 7.091 50 10 JKGE Brc1cc(OCc2ccccc2)ccc1[C@@H](Br)[C@H]1CCn2ncnc2C1 2336048003 QHUNFEYPJYIDSP-YWZLYKJASA-N 477.200 5.318 50 10 JKGE CC12CCC([C@@H](Br)c3cc(Br)ccc3OCc3ccccc3)(CC1)CO2 2336076364 YCBMKRVWKAJZHH-HWELCPFYSA-N 480.240 6.813 50 10 JKGE COc1cc([C@H](Br)c2ccc(OCc3ccccc3)cc2Br)ccc1F 2336083309 JEPVYXYUHMQRAJ-NRFANRHFSA-N 480.171 6.660 50 10 JKGE Cc1cc(I)c(Oc2nc(CCl)ccc2Br)cc1Cl 2336455817 LFHVOKSOEBVFDG-UHFFFAOYSA-N 472.935 5.942 50 10 JKGE CC[C@@](C)(C(F)F)[C@H](Br)c1c(C)c(Br)cc(C)c1Br 2336598228 YVCSVZFTIVVESS-TZMCWYRMSA-N 462.998 6.946 50 10 JKGE Cc1cc(Br)c(F)c(Br)c1[C@H](Br)[C@H]1C[C@@H]1C(F)(F)F 2339653195 GZURHIPLJXQBSW-ATVXKPNKSA-N 468.908 6.294 50 10 JKGE Clc1ccc(CO[C@@H](CI)c2ccccc2)c(I)c1 2340119825 KCVGVUCVHSBXSU-HNNXBMFYSA-N 498.529 5.638 50 10 JKGE Clc1ccc(I)cc1CO[C@H]1CCCCCC[C@H]1Br 2352248866 NVEFRLROGCHDDT-HIFRSBDPSA-N 457.577 5.948 50 10 JKGE CC1(C)OCCO[C@H]1[C@@H](Cl)c1c(Cl)cc(Br)c(F)c1Br 2362223938 PBANCWUOIAKUPR-JQWIXIFHSA-N 450.957 5.478 50 10 JKGE Clc1ccc(CN2C[C@H]3CCCC[C@]3(CBr)C2)cc1I 2362375304 IRCTUMFHRXXCGQ-CJNGLKHVSA-N 468.604 5.332 50 10 JKGE COc1ccc([C@@H](Cl)c2sc(Cl)cc2I)c(Cl)c1OC 2364119196 KMMIGZSYUQGRPN-LLVKDONJSA-N 463.551 6.005 50 10 JKGE CC1(C)CCC[C@]12[C@@H](Br)C[C@@H]2Oc1cc(Br)cc(Br)c1 2364222826 MQSLCWVNYKILKN-OFQRWUPVSA-N 467.039 6.323 50 10 JKGE COc1c(Br)cc(C)c([C@H](Br)[C@@H]2CCC[C@@H]3C[C@@H]32)c1Br 2365190147 BTXUVIWJCJIBPH-NJBDSQKTSA-N 467.039 6.401 50 10 JKGE COc1c(Br)cc(C)c([C@H](Br)[C@H]2CCCOCC2)c1Br 2365191442 NZEYLNIQAGQHNA-GXFFZTMASA-N 471.027 5.781 50 10 JKGE Cc1cc(C)c(C)c([C@H](Br)c2ccc(Cl)cc2I)c1C 2365598454 QOKBVNTTWYUNED-QGZVFWFLSA-N 463.584 6.663 50 10 JKGE C/C(=N\NC(=O)[C@H]1C[C@@H]1c1ccc(C(C)(C)C)cc1)c1ccc(NC(=O)c2ccc(Cl)cc2)cc1 20157890 HTARNNOWABQFGZ-KSAOXHDXSA-N 488.031 6.534 50 10 JKGE CCSc1ccc(-c2nn(-c3ccccc3)cc2/C=C(/C#N)C(=O)NCc2ccccc2)cc1 33939629 PCYQBGAEYCOXNX-QJOMJCCJSA-N 464.594 5.875 50 10 JKGE CCCCOc1ccc(/C=C(/C#N)C(=O)Nc2sc3c(c2C(=O)OC)CC[C@@H](C)C3)cc1 34904021 XOUXNJZACIHUJI-VVZNPABPSA-N 452.576 5.384 50 10 JKGE CC1=C(C#N)C(=O)N(C)C(=O)/C1=C/c1cn(-c2ccccc2)nc1-c1ccc(OCC(C)C)cc1C 38602946 VRIOEUGIVYQPPW-AFUMVMLFSA-N 480.568 5.105 50 10 JKGE CCCCOc1cccc(C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@@H]3c2cccc([N+](=O)[O-])c2)c1 38654058 VETNYLKTEBLRQZ-RUZDIDTESA-N 485.496 5.211 50 10 JKGE CCc1ccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)COc4ccc(C(C)C)cc4)ccc32)cc1 38677521 HREZXQFDBCYIDO-NDEPHWFRSA-N 468.553 5.575 50 10 JKGE Cc1cc(C)c2c(C)c(C(=O)Oc3ccc4c(c3)OC(N)=C(C#N)[C@@H]4c3ccc(F)cc3)oc2c1 38688089 RFJLNQFGFSMLPE-RUZDIDTESA-N 468.484 5.935 50 10 JKGE Cc1ccc(C(=O)Oc2cccc(/C=C(/C#N)C(=O)Nc3cc(Cl)ccc3Cl)c2)cc1 59117395 KNLFXKWDWVZJFH-WQRHYEAKSA-N 451.309 6.067 50 10 JKGE Cc1ccc(C(C)C)c(OCC(=O)N/N=C/c2c(C)nn(Cc3ccccc3Cl)c2C)c1 59152965 MJLJLLWXTVQDJI-UVHMKAGCSA-N 452.986 5.163 50 10 JKGE C[C@@H](Cl)c1nc2cc(I)ccc2n1-c1ccc(Br)c(F)c1 97355377 BZNPVFNWEIACAA-MRVPVSSYSA-N 479.518 5.832 50 10 JKGE CCc1ccc(N2C(=O)[C@@H](Cc3ccccc3)S/C2=C(/C#N)C(=O)Nc2ccccc2)cc1 101244323 TYMQDCIMMJKTKP-NLTRVXJZSA-N 453.567 5.314 50 10 JKGE CC(C)c1ccc([C@@H](Br)c2cccc(I)c2)c(C(C)C)c1 109857268 KHSXQUPDNLZYAQ-IBGZPJMESA-N 457.193 7.022 50 10 JKGE CC[C@H](Oc1cc(Br)c(OC)cc1Br)c1nc(CCl)cs1 118817880 JXVDHADYCVUJDS-NSHDSACASA-N 455.599 5.946 50 10 JKGE Fc1ccc([C@H](Br)c2cc(Cl)c(Br)s2)c(Br)c1 127550867 KXRYNTLPWRFGKK-JTQLQIEISA-N 463.391 6.550 50 10 JKGE COc1ccc([C@@H](Cl)c2cc(Br)c(Br)s2)cc1Br 128093331 FOVFDXYOBYLAJK-LLVKDONJSA-N 475.427 6.372 50 10 JKGE CCOc1ccc([C@H](Cl)c2cc(Br)c(Br)s2)cc1OCC 128282966 KGMITISCXYZPOA-AWEZNQCLSA-N 454.611 6.399 50 10 JKGE Cc1cc(Br)c([C@@H](Br)c2ccc(F)cc2F)cc1Br 128833140 XHTDQRKSVMESGJ-AWEZNQCLSA-N 454.934 6.283 50 10 JKGE Brc1cc([C@H](Br)Cc2nc3ccccc3s2)sc1Br 128993876 PBAJABHQVWFKCH-SSDOTTSWSA-N 482.060 6.562 50 10 JKGE COC(=O)c1c(-c2ccc3c(c2)CCCC3)csc1NC(=O)/C(C#N)=C\c1ccc(C(C)C)cc1 207205293 NBOCQBNLHMZEFZ-OYKKKHCWSA-N 484.621 6.750 50 10 JKGE C[C@@H](NC(=O)/C(C#N)=C\Nc1ccc(Cl)c(C(F)(F)F)c1)C12CC3CC(CC(C3)C1)C2 217037738 TUSPFBOIEUALTO-LSXFSIBFSA-N 451.920 5.899 50 10 JKGE COc1ccc([C@H](C)N/C=C(/C#N)C(=O)Nc2ccccc2Sc2ccccc2)cc1OC 217243449 WJJPZYRGVAIJGC-CIJMEZBMSA-N 459.571 5.552 50 10 JKGE COCCOc1ccc([C@H](Cl)c2csc(I)c2)cc1Br 229012173 SJTLTSVJWNASPM-AWEZNQCLSA-N 487.584 5.469 50 10 JKGE CCOc1ccc([C@H](Cl)c2ccc(I)c(Cl)c2)c(Br)c1 232344629 YLUNWLYNIVGVSN-OAHLLOKOSA-N 485.974 6.434 50 10 JKGE O=C(COc1ccc2ccccc2c1)NCC(=O)NN=Cc1ccc(-c2ccc(Cl)c(Cl)c2)o1 252597742 CUUDMJYKGDEBLV-UHFFFAOYSA-N 496.350 5.052 50 10 JKGE CC(=NNC(=O)c1ccccc1N(Cc1ccccc1)S(=O)(=O)c1ccc(C)cc1)C(C)(C)C 252616702 KDYILLQWGFDKEV-UHFFFAOYSA-N 477.630 5.542 50 10 JKGE CCCCCCCCOc1ccc(-c2cc(C(=O)NN=C/C=C\c3ccccc3OC)[nH]n2)cc1 254490469 SXILHIMFFYRIBV-FAFIILGRSA-N 474.605 6.254 50 10 JKGE O=C(CSc1nc(/C=C/c2ccccc2)nc2ccccc12)NN=Cc1ccc(Cl)cc1 254705467 HBKPFYLJHRGCST-RTSIGUGYSA-N 458.974 5.696 50 10 JKGE C[C@H](Cl)c1nc2cc(I)c(F)cc2n1[C@H](C)CN(C)Cc1ccccc1 311413299 CPJYYCSDSDOFGI-KGLIPLIRSA-N 485.772 5.773 50 10 JKGE CCN(C[C@](C)(CI)O[C@@H]1C[C@H]2CC[C@@]1(C)C2(C)C)C(=O)OC(C)(C)C 387937951 FPKKBFXJLBKAAG-WWEWDKITSA-N 479.443 5.669 50 10 JKGE COc1ccc([C@@H](Br)c2ccccc2OCc2ccccc2)c(Br)c1 394101975 WBUGRBXMDZMIIV-OAQYLSRUSA-N 462.181 6.521 50 10 JKGE Fc1cc(Br)c([C@@H](Br)c2cc(Cl)ccc2Br)c(F)c1F 398730531 MFKAODBDDDPHIJ-NSHDSACASA-N 493.342 6.767 50 10 JKGE Cc1ccc([C@H](Br)c2cc(Cl)c(Cl)c(Cl)c2Cl)cc1Br 404650101 JHZFEBFNERDXAP-NSHDSACASA-N 477.838 7.855 50 10 JKGE Fc1ccccc1[C@H](CBr)Cc1cc(Cl)ccc1I 405545931 WFHIJQUVEDWFSX-NSHDSACASA-N 453.520 5.805 50 10 JKGE CC(C)(C)[Si](C)(C)OCc1cccc([C@H]2CCN(S(=O)(=O)c3ccccc3)c3ccccc32)c1 616675167 KACQQPCEMCKDQW-RUZDIDTESA-N 493.745 6.939 50 10 JKGE CCn1cc([C@H](Br)c2csc3c(Br)cccc23)nc1Br 698389263 GGPYMZMPKMFRSG-GFCCVEGCSA-N 479.035 6.127 50 10 JKGE COc1ccccc1C[C@H](Br)c1scc(Br)c1Br 707789760 JFMAIBZDQITTPD-VIFPVBQESA-N 455.009 5.960 50 10 JKGE CC(F)(F)CCCOc1c(Br)cc(CBr)cc1Br 718667188 VKZOIIVKDZYXFV-UHFFFAOYSA-N 450.943 5.921 50 10 JKGE Clc1cccc(C[C@@H](CBr)c2ccccc2Br)c1Br 719423964 YKACAQOQCVGATA-NSHDSACASA-N 467.426 6.586 50 10 JKGE Cc1cc([C@H](Br)c2cccc(F)c2I)sc1Br 721672281 LAQQHYOHYUPXPR-SNVBAGLBSA-N 489.973 6.047 50 10 JKGE CCOc1cc(/C=C(\C#N)C(=O)N(C)C)c(Br)cc1OCc1cccc2ccccc12 1084061369 ZEJCZYYULKFDPA-UDWIEESQSA-N 479.374 5.575 50 10 JKGE Cc1ccc(NCCCC(=O)NN=C(Cc2ccccc2)c2ccc(-c3ccccc3)cc2)cc1 1084425005 HVHFADQJDQNYHQ-UHFFFAOYSA-N 461.609 6.617 50 10 JKGE CCOc1cc([C@@H]2C(C#N)=C(N)Oc3c2c(-c2ccccc2)nn3Cc2ccc(F)cc2)ccc1O 1865681329 KGFUMYLTPBTRAY-XMMPIXPASA-N 482.515 5.060 50 10 JKGE COc1ccc([C@@H]2C(C#N)=C(N)Oc3c2c(-c2ccccc2)nn3Cc2ccccc2Cl)cc1O 1865681936 BEEJUWMKEREEOY-HSZRJFAPSA-N 484.943 5.184 50 10 JKGE Cc1ccc(C)c(Cn2nc(C(F)(F)F)c3c2OC(N)=C(C#N)[C@H]3c2cc(Cl)ccc2O)c1 1865689606 UDVOCVGCCZSABN-GOSISDBHSA-N 474.870 5.144 50 10 JKGE CCOc1cccc([C@@H]2C(C#N)=C(N)Oc3c2c(-c2ccccc2)nn3Cc2cccc(F)c2)c1 1865690069 IARUANACOLXTPT-XMMPIXPASA-N 466.516 5.354 50 10 JKGE CCCCCOc1ccc([C@@H]2C(C#N)=C(N)Oc3c2c(C(F)(F)F)nn3Cc2ccc(C)cc2)cc1 1865690738 ZXACDQCKVCXKIW-JOCHJYFZSA-N 496.533 6.046 50 10 JKGE CCCCCOc1ccc([C@H]2C(C#N)=C(N)Oc3c2c(CCC)nn3-c2ccccn2)cc1OCC 1865691635 XARWPDDZOVXVKK-VWLOTQADSA-N 487.604 5.406 50 10 JKGE CCc1nn(Cc2ccccc2)c2c1[C@@H](c1ccc(OCc3ccc(C)cc3)cc1)C(C#N)=C(N)O2 1865694625 ZXJZSTGNNMEXQS-MHZLTWQESA-N 476.580 5.599 50 10 JKGE COc1ccc(-c2nn(C)c3c2[C@@H](c2ccc(OCc4ccc(Cl)cc4)cc2)C(C#N)=C(N)O3)cc1 1865695563 PZDFOUBPCDXNBR-DEOSSOPVSA-N 498.970 5.546 50 10 JKGE CCCc1nn(-c2ccc(Br)cc2)c2c1[C@@H](c1cn(C)c3ccccc13)C(C#N)=C(N)O2 1865698696 APBODWQMSUTUIX-JOCHJYFZSA-N 488.389 5.297 50 10 JKGE COc1ccc([C@@H](C(=O)NC(C)(C)C(=O)Nc2ccc(SC#N)cc2)C2CCCC2)cc1 1867009116 DRWHCROGNAJIFT-QFIPXVFZSA-N 451.592 5.076 50 10 JKGE CSCC[C@H](NC(=O)C[C@@H](C)c1cccc(Cl)c1)C(=O)Nc1ccc(SC#N)cc1 1867185278 SNTZXCMISKMXIJ-QRWLVFNGSA-N 462.040 5.283 50 10 JKGE CCc1nc(Nc2ccc(SC#N)cc2)cc(N2CCN(CCCc3ccc(OC)cc3)CC2)n1 1868278145 UHMNHBNXYXQVPH-UHFFFAOYSA-N 488.661 5.119 50 10 JKGE N#C/C(=C(/O)CCCN1C(=O)c2ccccc2C1=O)c1nc(-c2ccc(Br)cc2)cs1 1872746699 UHRBZWUKJIUJTD-ZZEZOPTASA-N 494.370 5.442 50 10 JKGE COc1ccc(Cl)cc1N1C[C@H](/C(O)=C(\C#N)c2nc(-c3cc(C)ccc3C)cs2)CC1=O 1872750000 RUKYSABPYPCFBS-PWEHGMCJSA-N 479.989 5.935 50 10 JKGE CC(C)(C)c1ccc(-c2csc(/C(C#N)=C(\O)CNC(=O)c3ccc(Cl)cc3)n2)cc1 1872750665 JPQNPJYAHKQFOT-VZCXRCSSSA-N 451.979 5.984 50 10 JKGE CC(C)(C)c1ccc(-c2csc(/C(C#N)=C(\O)CN3C(=O)c4cccc([N+](=O)[O-])c4C3=O)n2)cc1 1872751142 SVKALGRKVMQPOX-JZJYNLBNSA-N 488.525 5.105 50 10 JKGE CCOc1ccc(/C=C/C(O)=C(\C#N)c2nc(-c3cc(C)cc(C)c3OC)cs2)cc1OC 1872755080 XQVMFOBSBDTXGE-OYFYCZIRSA-N 462.571 6.349 50 10 JKGE CCOc1ccc(-c2csc(/C(C#N)=C(\O)c3cc(OC)cc(OC)c3)n2)c(OCC)c1 1872755350 JEWRHSCIZBFEII-ATJXCDBQSA-N 452.532 5.575 50 10 JKGE COc1cc(Cl)c(C)cc1-c1csc(/C(C#N)=C(\O)c2cc(Cl)ccc2Cl)n1 1872756897 GPNIAYPXXDAYIX-RGEXLXHISA-N 451.762 7.037 50 10 JKGE COc1ccc(/C=C/C(O)=C(\C#N)c2nc(-c3ccc(OC)c4ccccc34)cs2)c(OC)c1 1872758764 PLPKXBDXVUNQMG-UOPCGYQESA-N 470.550 6.495 50 10 JKGE COc1ccc(Cl)cc1-c1csc(/C(C#N)=C(\O)CNC(=O)c2ccc(C(C)(C)C)cc2)n1 1872758840 SPFGCXLWOROJAL-VZCXRCSSSA-N 482.005 5.992 50 10 JKGE CCCOc1ccc(-c2csc(/C(C#N)=C(\O)COc3ccc(Cl)cc3)n2)cc1OCCC 1872818191 QXZIMICEHCFPSG-XDOYNYLZSA-N 485.005 6.913 50 10 JKGE C[C@]1(C(F)(F)F)C[C@@H]1[C@H](Br)c1cc(Br)sc1Br 1906300583 FEEZNJCDHJDLRI-FKBGGTMYSA-N 456.947 6.298 50 10 JKGE COc1ccc(Br)cc1CN(Cc1ccccc1)[C@H](CBr)C1CC1 1915217509 QLDIUQLCYFTPCN-LJQANCHMSA-N 453.218 5.633 50 10 JKGE Cc1c(Br)sc([C@H](Br)c2ccc(C(F)(F)F)o2)c1Br 1922928861 DFEKUXKIFUNUAJ-MRVPVSSYSA-N 482.941 6.678 50 10 JKGE Clc1c(Br)sc(Br)c1[C@@H](Br)C[C@H]1C[C@H]2CC[C@H]1C2 1923037943 HBJPYQBHOFJEBI-MAUMQABQSA-N 477.487 7.189 50 10 JKGE CCCCCC[C@@H](Br)c1c(Br)sc(Br)c1Cl 1923067823 JFMWJZWJAFMHAK-SSDOTTSWSA-N 453.465 7.333 50 10 JKGE CC1(C)C2CCC1([C@@H](Br)c1c(Br)sc(Br)c1Cl)CC2 1923070439 ALNXKDPLGXMSAP-YGVRBULQSA-N 491.514 7.579 50 10 JKGE Cc1cccc(C)c1[C@H](Cl)c1c(Br)sc(Br)c1Br 1924585315 KHRHJCCHLUEVBJ-NSHDSACASA-N 473.455 6.981 50 10 JKGE O=C(NC[C@H]1CCC2(CCC2)[C@H]1Br)c1cc(Br)c(Br)s1 1924802744 MPUQLNDPCDHABM-KCJUWKMLSA-N 486.067 5.347 50 10 JKGE Cc1c(Cl)cc(C(=O)N(Cc2ccccc2)C[C@H](C)Br)cc1Br 1979764413 SCYLRGUFJPIOJC-LBPRGKRZSA-N 459.609 5.837 50 10 JKGE Cc1c(Cl)cc(CN(C)C[C@@H](Br)COCc2ccccc2)cc1Br 2002243332 ZABZOFGUIVZJJO-QGZVFWFLSA-N 475.652 5.823 50 10 JKGE O=C(c1ncc(Br)cc1Cl)N(Cc1ccccc1)C1(CBr)CCC1 2007992398 KHYFVGXJNNCOPN-UHFFFAOYSA-N 472.608 5.458 50 10 JKGE FC1(F)[C@@H]2CC[C@H]([C@H](Br)c3cc(Br)sc3Br)C[C@H]21 2030334698 VSXQBQLTMUZVDH-MUNAIBHASA-N 464.995 6.391 50 10 JKGE CC1(C)CC[C@H](Br)CN1C(=O)c1cc(Br)c(Br)s1 2038525477 PGZGALWGZFKOSA-ZETCQYMHSA-N 460.029 5.051 50 10 JKGE Cc1c([C@@H](Br)c2c(Cl)sc(Cl)c2Cl)nn(C)c1Br 2049254911 CZBDZEGELVVGKU-YFKPBYRVSA-N 453.414 5.997 50 10 JKGE O=S(=O)(c1ccc(CCl)c(Br)c1)N(CCC(F)(F)F)Cc1ccccc1 2095876233 VFHUCYHVFTWTSU-UHFFFAOYSA-N 470.738 5.331 50 10 JKGE ClCCc1nc2cc(Br)c(Cl)cc2n1[C@H]1CCN(Cc2ccccc2)C1 2103625388 WNDDDKVXQCAMRB-HNNXBMFYSA-N 453.211 5.681 50 10 JKGE Clc1ccc(Br)cc1CC[C@@H](Br)c1ccccc1Br 2113450543 VEYBUEOSHKEIHC-CQSZACIVSA-N 467.426 6.934 50 10 JKGE Fc1cc(F)c([C@H](Br)c2cc(Br)ccc2Br)cc1Cl 2122790879 OVSYBIDKMRVKTM-CYBMUJFWSA-N 475.352 6.628 50 10 JKGE Cc1cc(Cl)c([C@H](Br)c2cccc(F)c2I)cc1Cl 2136700390 YZJJMECNPHKYGV-CYBMUJFWSA-N 473.938 6.530 50 10 JKGE Fc1cc(Br)c([C@H](Br)c2cc(Cl)c(Cl)s2)c(F)c1Cl 2136965508 ZTNNYZCNSJOBDS-MRVPVSSYSA-N 471.375 7.233 50 10 JKGE Cc1c(Br)ccc([C@H](Br)[C@@H]2C[C@@H]3CC[C@H](C2)O3)c1Br 2138849336 DOTSIJUCKXBEPA-JNIYBQFBSA-N 453.012 5.914 50 10 JKGE Cc1c(Br)ccc([C@H](Br)C2C[C@H](C)O[C@@H](C)C2)c1Br 2138866474 UHHXNQALYMRMQN-KOSWAMCASA-N 455.028 6.160 50 10 JKGE Fc1cccc(Cl)c1C[C@@H](Cl)c1ccc(Br)cc1I 2142278772 HSHOKIIAYVPAEN-GFCCVEGCSA-N 473.938 6.369 50 10 JKGE COc1ccc([C@H](Cl)c2ccc(Br)cc2I)cc1C 2142289363 YSZYQMOBRNVJEO-HNNXBMFYSA-N 451.529 5.699 50 10 JKGE BrCc1cc(Br)ccc1N1CCCc2ccc(Br)cc21 2145162380 RVXPKPZCRMHHDV-UHFFFAOYSA-N 460.007 6.191 50 10 JKGE C[C@@H](Cl)c1nc2cc(I)ccc2n1CCc1nccn1Cc1ccccc1 2146217613 NZVTWGWBKWLMHL-OAHLLOKOSA-N 490.776 5.428 50 10 JKGE Cn1nc(C[C@H](CBr)Cc2ccccc2Br)c(Br)c1Cl 2152981183 JGILIWPSYQZVNN-SECBINFHSA-N 485.445 5.395 50 10 JKGE Clc1cc(Br)c([C@@H](Cl)c2ccc3cc(Br)ccc3c2)s1 2154478451 KUBBXUJNPWADTM-AWEZNQCLSA-N 451.010 7.408 50 10 JKGE Cc1csc([C@H](Br)c2cc(Br)c3c(c2)C[C@@H](C)O3)c1Br 2157027342 YFHRGYBWQBCBIL-AMIZOPFISA-N 481.047 6.389 50 10 JKGE Cc1cc(Br)c(C)c([C@@H](Br)C2CC(C3CCC3)C2)c1Br 2201079125 QUAQNENDXJJIHL-FVKWTLKZSA-N 465.067 7.091 50 10 JKGE Cc1cc(Br)c(C)c([C@@H](Cl)c2ccc(Cl)c(Cl)c2)c1Br 2201080408 YAVFYOBYEKUQTC-HNNXBMFYSA-N 457.420 7.463 50 10 JKGE Brc1cccc(Br)c1CN1CC[C@@H]2CC[C@@H](Br)C[C@@H]2C1 2204116435 QCHOHGBDDJCCIJ-YNEHKIRRSA-N 466.055 5.597 50 10 JKGE Cc1sc(Br)c(C)c1[C@@H](Br)c1ccc(Br)c(Cl)c1 2218800509 KZHBFTXYFGVYJJ-LBPRGKRZSA-N 473.455 7.028 50 10 JKGE Cc1c(F)ccc([C@H](Br)c2cc(Br)c(Br)s2)c1F 2223264765 KHXHMTFYCQYFQN-JTQLQIEISA-N 460.963 6.344 50 10 JKGE Cc1cc(Br)c([C@H](Br)c2scc(Cl)c2Cl)c(C)c1Cl 2224312273 PNCTWSMSPMSBNK-JTQLQIEISA-N 463.449 7.572 50 10 JKGE CC(C)(C)OC(=O)N1CCC(CBr)(OCCCC(F)(F)C(F)(F)F)CC1 2231730842 WZPKSRCXKPOZLI-UHFFFAOYSA-N 454.274 5.145 50 10 JKGE Cc1cc(Br)c([C@H](Br)c2ccc(Cl)c(F)c2)c(C)c1Br 2235605658 SXXQDXLULCDRFU-OAHLLOKOSA-N 485.416 7.105 50 10 JKGE COc1cccc(Br)c1[C@H](Br)Cc1ccc(Br)cc1Cl 2237434646 IKDCYUQFQDKSLH-GFCCVEGCSA-N 483.425 6.552 50 10 JKGE O=C(c1csc(Br)c1Br)N1[C@H](CBr)C[C@@H]2CCCC[C@@H]21 2240731462 SPALBWUWLQOOQK-QXEWZRGKSA-N 486.067 5.441 50 10 JKGE Cc1ccc([C@@H](C)[C@H](Br)c2ccc(Br)c(C)c2Br)cc1 2240825960 ZHXOLVKNENXFMQ-BZNIZROVSA-N 461.035 7.068 50 10 JKGE Brc1ccc([C@H](Br)c2cocc2Br)c(Br)c1 2244207797 GPMSJVNSRQFGEZ-NSHDSACASA-N 473.784 6.051 50 10 JKGE CCc1cc([C@@H](Br)c2ccc(OCc3ccccc3)cc2)sc1Br 2248000848 IQXKAMPNMUUMSI-IBGZPJMESA-N 466.238 7.136 50 10 JKGE Clc1cc(Br)c([C@H](Cl)c2ccc(Cl)c(I)c2)s1 2248212072 GPAMUAAZMRCPSD-SNVBAGLBSA-N 482.395 6.750 50 10 JKGE Cc1cc(Cl)c([C@H](Br)c2ccc(Cl)c(I)c2)cc1Cl 2268270702 SWZDDBMLUPTVMJ-CQSZACIVSA-N 490.393 7.044 50 10 JKGE COc1ccc([C@H](Br)Cc2cccc(Cl)c2)cc1I 2269541277 HUDZJKQNXGEJGE-CYBMUJFWSA-N 451.529 5.632 50 10 JKGE Fc1cc(Br)c(F)c(Br)c1[C@@H](Cl)c1ccccc1Br 2272721380 HMZHLGLBHCOIER-LBPRGKRZSA-N 475.352 6.581 50 10 JKGE CC1([C@@H](Br)Cc2cc(Br)cc(Br)c2)CC2(CCC2)C1 2277956661 PUUAEPONYCIBLQ-AWEZNQCLSA-N 451.040 6.488 50 10 JKGE Cc1ccc(Br)c([C@@H](Br)c2cc3sc(Br)cc3s2)c1 2278022073 OBYBVMFQRGVSIA-CQSZACIVSA-N 481.072 7.281 50 10 JKGE CC[C@H](C(F)(F)F)C(CBr)(CBr)c1cccc(Br)c1 2278447428 PHBUYDRGOBFJPP-NSHDSACASA-N 466.961 6.065 50 10 JKGE Fc1cc(Br)c(Br)cc1[C@H](Br)[C@@H]1CC(F)(F)C12CCC2 2280857370 NXWUXWSRBKXBAZ-UFBFGSQYSA-N 476.956 6.612 50 10 JKGE COc1c([C@H](Cl)c2csc(I)c2)cc(Br)c2c1CCC2 2284520248 VHHYJMLEEJYKIZ-CQSZACIVSA-N 483.596 5.941 50 10 JKGE CCN(C[C@](C)(CI)OC1(C)C2CC3CC(C2)CC1C3)C(=O)OC(C)(C)C 2287253014 MBJHTMXICXINJO-DEJWQEGGSA-N 491.454 5.669 50 10 JKGE CC[C@@H](C[C@H](Br)c1c(F)cc(Br)c(F)c1Br)C(C)(C)C 2288496210 FFVMJZCQWUCQRA-IUCAKERBSA-N 477.025 7.388 50 10 JKGE Brc1cc(Br)cc(C[C@H](Br)c2ccc(CC3CC3)s2)c1 2295277107 NCHSPLZCUNGELP-HNNXBMFYSA-N 479.075 6.904 50 10 JKGE CCCc1cc(C(=O)OC)c(NC(=O)C(C#N)=Cc2c[nH]nc2-c2ccc(Br)cc2)s1 2295347894 PADJFBBQRVLODI-UHFFFAOYSA-N 499.390 5.185 50 10 JKGE COc1c(Br)cc([C@H](Br)c2ccc(Br)s2)c(OC)c1C 2295425845 LLIZAFBJMNTAEZ-LBPRGKRZSA-N 485.035 6.083 50 10 JKGE Cc1cc(Cl)c(Cl)cc1[C@H](Br)c1cc2sc(Br)cc2s1 2295499757 CAGGTEIMGQAPEB-AWEZNQCLSA-N 471.066 7.825 50 10 JKGE COc1ccc(NC(=O)C(C#N)=Cc2cc(C)n(-c3ccc(I)cc3)c2C)cc1 2297327745 XMSPYIBBMGHFPK-UHFFFAOYSA-N 497.336 5.253 50 10 JKGE CSc1cccc(NC(SCc2ccc(Cl)cc2)=C(C#N)S(=O)(=O)c2ccccc2)c1 2297349951 GEDOIBCRECVWFM-UHFFFAOYSA-N 487.071 6.574 50 10 JKGE CCOc1cc(C=C(C#N)C(=O)Nc2nc3ccccc3s2)ccc1OCc1ccccc1 2297500399 SXOCTGWZTDZZTJ-UHFFFAOYSA-N 455.539 5.820 50 10 JKGE COCCC1([C@H](Br)c2ccc(OCc3ccccc3)cc2Br)CC1 2299531113 SQEFKLDGEAFOQC-LJQANCHMSA-N 454.202 6.281 50 10 JKGE Cc1cc(Br)c(F)c(Br)c1[C@@H](Br)C1(Br)CCC1 2301491636 GKVRIPNEWZSRDQ-LLVKDONJSA-N 493.834 6.413 50 10 JKGE CC1(C)[C@H]2CO[C@]1([C@H](Cl)c1c(Br)sc(Br)c1Br)C2 2313351311 DXBXJPIHEYSORX-RFSVNVOPSA-N 479.459 6.131 50 10 JKGE COC[C@@H]1CC[C@@H]([C@H](Br)c2ccc(OCc3ccccc3)cc2Br)C1 2314444532 LQDYTTKJKORYAM-LZJOCLMNSA-N 468.229 6.527 50 10 JKGE Brc1cc(OCc2ccccc2)ccc1[C@H](Br)[C@@]12CCCC[C@@H]1CC2 2314449048 MTBCPDKGNLTXFY-VOQZNFBZSA-N 464.241 7.435 50 10 JKGE C[C@@H](c1ccccc1)[C@@H](Br)c1cc(Br)ccc1OCc1ccccc1 2314449073 MYMYNNWDBNJOCL-KSFYIVLOSA-N 460.209 7.268 50 10 JKGE N#CC(=Cc1ccc(-c2ccc(Cl)c(Cl)c2)o1)C(=O)Nc1cc(Cl)cc(Cl)c1 2314487379 IEQUROXHMZBOSL-UHFFFAOYSA-N 452.124 7.106 50 10 JKGE C=CCNC(=O)C(C#N)=C1S[C@H](Cc2ccc(Cl)cc2)C(=O)N1c1ccc(C(C)C)cc1 2314592948 DXPVBBBFDDEGMV-JOCHJYFZSA-N 466.006 5.192 50 10 JKGE CCCOc1cccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)C=Cc4ccccc4)ccc32)c1 2314634791 LNXVZQIPCSOAQU-HHHXNRCGSA-N 452.510 5.312 50 10 JKGE Brc1cc(Br)cc(CO[C@@H]2CCCCC[C@H]2I)c1 2315459048 SZEJKFDJWJWOFP-ZIAGYGMSSA-N 488.001 5.865 50 10 JKGE CC(C)(C)OC(=O)N1CCC(CI)(OCC[C@H]2CC[C@@H]2C2CC2)CC1 2319636837 ZMDOPJQKTHEVSP-IAGOWNOFSA-N 463.400 5.034 50 10 JKGE C[C@@H]1C[C@H]2C[C@]([C@@H](Br)c3ccc(OCc4ccccc4)cc3Br)(C2)O1 2319804493 XKWBIYXQIIZUGH-GNBIQWSPSA-N 466.213 6.422 50 10 JKGE CO[C@]1(C(F)F)C[C@H]([C@H](Br)c2cc(Br)sc2Br)C1 2320066949 MGFVWOKLBGAYSR-HCPJGSBBSA-N 468.983 5.769 50 10 JKGE N#CC(=CNCCc1ccccc1Br)C(=O)Nc1ccc(Cl)c(C(F)(F)F)c1 2325385116 WLRIDYMRLPNEPP-UHFFFAOYSA-N 472.692 5.300 50 10 JKGE COc1ccc(C=CC(O)=C(C#N)c2nc(-c3ccc(Cl)c(Cl)c3)cs2)cc1OC 2331311445 HIQKLSBICWWNSU-UHFFFAOYSA-N 459.354 6.640 50 10 JKGE COc1cc(-c2csc(C(C#N)=C(O)C=Cc3ccc(Cl)cc3)n2)c(OC)cc1Cl 2331376851 CTPTYXPCTWHSRZ-UHFFFAOYSA-N 459.354 6.640 50 10 JKGE COc1c(C)cc(Cl)cc1-c1csc(C(C#N)=C(O)[C@H]2CC(=O)N([C@@H](C)c3ccccc3)C2)n1 2331391909 UDSHSPCUBCCKID-WMZOPIPTSA-N 494.016 6.183 50 10 JKGE CCCCCOc1ccc(C=C(C#N)c2nc(-c3ccc(Br)cc3)cs2)cc1 2331429866 NZHXQVXHJHOWNN-UHFFFAOYSA-N 453.405 7.206 50 10 JKGE FC(F)Oc1cccc([C@H](Br)c2sc(Cl)cc2I)c1 2338558965 QZTWVIFZAJLDPI-JTQLQIEISA-N 479.511 6.092 50 10 JKGE COc1c(Br)cc(C)c([C@@H](Br)c2csnc2C)c1Br 2339657520 YUEGRTBPEPEJSM-NSHDSACASA-N 470.024 5.778 50 10 JKGE Clc1ccc(CN2CC3(CCC3)C[C@@H]2CBr)c(I)c1 2341059697 NLMCUKWOTPYMRQ-CYBMUJFWSA-N 454.577 5.084 50 10 JKGE CC1(C)C[C@H](NCc2ccc(I)c(Br)c2)C[C@H](Cl)C1 2349826589 GYHGCRWPTYTNHI-NWDGAFQWSA-N 456.593 5.329 50 10 JKGE CC1(C)[C@H]2C[C@H]([C@H](Br)c3c(Cl)cc(Br)c(F)c3Br)C[C@H]21 2362251564 BGNPCVWUBKXLNO-ZNWBZCOPSA-N 489.448 7.122 50 10 JKGE Cc1cc(Br)c([C@H](Br)[C@H]2CO[C@]3(C)C[C@H]2C3)c(C)c1Br 2362915963 KERJEXXNVYHGFY-DPDCMNJDSA-N 467.039 6.080 50 10 JKGE Cl[C@@H]1C[C@@H](Oc2cc(Br)cc(I)c2)[C@]12CCCC21CC1 2364268197 RZKAYPDQSSGADX-FMKPAKJESA-N 467.572 5.763 50 10 JKGE CN(Cc1c(Br)cccc1Br)c1ccc(CBr)c(Cl)c1 2366159453 ASEFOUYGMMENNL-UHFFFAOYSA-N 482.441 6.396 50 10 JKGE Clc1cc(Cl)cc(CC[C@@H](Cl)c2cccc(Br)c2Br)c1 2366895676 JIHKAHPCMQCXEK-CQSZACIVSA-N 457.420 7.431 50 10 JKGE Cc1cc(Br)c(CBr)c(N(C)Cc2csc(C)c2Br)c1 2369746247 QNDVLJFVFYGTJW-UHFFFAOYSA-N 482.079 6.421 50 10 JKGE COc1cc(Br)c(Oc2ccnc(Cl)c2CBr)cc1Br 2370822889 XTFVCXZRWWJAQX-UHFFFAOYSA-N 486.385 5.956 50 10 JKGE CC(C)(C)OC(=O)NC[C@]1(C(F)(F)F)CCCN1C[C@](C)(CBr)C(C)(C)C 2380169450 SVDYZQRAFFKMIZ-ROUUACIJSA-N 459.391 5.355 50 10 JKGE Cc1cc(Cl)c([C@@H](Br)c2cc(Br)c(Cl)cc2F)c(Cl)c1 2381299518 NBUMWEGFYOMJEQ-AWEZNQCLSA-N 461.383 7.341 50 10 JKGE CCCCCCOc1ccc(Br)cc1C(=O)NNC(=O)[C@@H](C)Oc1ccc(C)c(C)c1 10153191 RMNVJHYQKAVVRG-GOSISDBHSA-N 491.426 5.254 50 10 JKGE COc1ccc(/C=N/NC(=O)c2ccc(NC(=O)c3ccc(C(C)(C)C)cc3)cc2)cc1OC 12491709 PAPZIBMRJGOOJE-OGLMXYFKSA-N 459.546 5.018 50 10 JKGE C/C(=N/NC(=O)c1ccc(NC(=O)c2ccc(C(C)(C)C)cc2)cc1)c1ccc2ccccc2c1 33489906 QABXGFLCGWHHTA-RGXNXFOYSA-N 463.581 6.544 50 10 JKGE CCCCOc1ccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4ccc(C(C)(C)C)cc4)ccc32)cc1 38650750 MGXOEFFBXMIWLU-NDEPHWFRSA-N 496.607 6.600 50 10 JKGE CC(C)c1ccc(O[C@H](C)C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@H]3c2ccccc2Cl)cc1 38651092 QCPFJPMTEVKLSV-QUGAMOGWSA-N 488.971 6.054 50 10 JKGE CCCOc1ccccc1C(=O)Oc1ccc2c(c1)OC(N)=C(C#N)[C@@H]2c1cccc(OCC)c1 38684997 PDUFGJCGXREORV-AREMUKBSSA-N 470.525 5.311 50 10 JKGE N#CC1=C(N)Oc2cc(OC(=O)c3ccccc3)ccc2[C@H]1c1cccc(OCc2ccccc2)c1 38686489 APLBXEWRWAEDEH-MUUNZHRXSA-N 474.516 5.703 50 10 JKGE Cc1ccccc1C(=O)N/N=C1\CCCc2oc(C(=O)Nc3ccc(Cl)cc3Cl)c(C)c21 40811453 ZSJWCKJFRRNRAB-TURZUDJPSA-N 470.356 5.926 50 10 JKGE Cc1c(C(=O)Nc2ccc(Cl)cc2)oc2c1/C(=N/NC(=O)c1ccc(Cl)cc1)CCC2 40811685 QXTOASHYTDTITE-OVVQPSECSA-N 456.329 5.618 50 10 JKGE CCCCc1ccc(NC(=O)c2oc3c(c2C)/C(=N/NC(=O)c2cccc(Cl)c2)CCC3)cc1 40813281 MTQNRGJAVIVLIU-JBASAIQMSA-N 477.992 6.307 50 10 JKGE CCc1ccc(NC(=O)c2oc3c(c2C)/C(=N/NC(=O)Cc2coc4c(C)c(C)ccc24)CCC3)cc1 40826642 QHLFDANTGQABCX-FEZSWGLMSA-N 497.595 6.165 50 10 JKGE N#Cc1ccccc1COc1c(Cl)cc(/C=N\NC(=O)CC[C@H](O)c2ccccc2)cc1Cl 58889462 AOFAQBAEBQYLML-BCWDXYJZSA-N 482.367 5.408 50 10 JKGE Cc1ccc(Sc2ccc(/C=N/NC(=O)c3cc4cc(Br)ccc4o3)o2)cc1 59680397 IOQFHTFXPCQNLC-FSJBWODESA-N 455.333 6.012 50 10 JKGE COc1cccc(/C=C2\CCCC3=C2OC(N)=C(C#N)[C@H]3c2cccc(OC)c2OC)c1OC 96594336 CTVLQMQEWOKQLT-LKVFMFGUSA-N 460.530 5.050 50 10 JKGE COc1ccc(S(=O)(=O)Nc2ccccc2C)cc1N/C=C(\C=O)c1nc2cc(Cl)ccc2o1 101112505 XCMHFLDLWMUKQP-DTQAZKPQSA-N 497.960 5.251 50 10 JKGE CC1=C(C#N)C(=O)N(C[C@H]2CCCO2)C(=O)/C1=C/c1ccc(-c2cccc(Cl)c2Cl)o1 101337207 YPCIBDARUDPALK-ZXMBATIKSA-N 457.313 5.025 50 10 JKGE CCc1ccccc1Oc1coc2cc(OC(=O)/C(C#N)=C\c3ccc(OC)cc3)ccc2c1=O 103761056 CAYYNWJLDLYCRK-ZHZULCJRSA-N 467.477 5.669 50 10 JKGE CC(C)CCC[C@H](C)[C@H]1CC[C@H]2[C@@H]3CC=C4C[C@@H](OC(=O)CCCCl)CC[C@]4(C)[C@H]3CC[C@@]21C 118920358 FWOCLQPBUVEXDS-IZPGQEACSA-N 491.200 8.959 50 10 JKGE CS(=O)(=O)c1ccc([C@H](Br)c2cc(Br)c(Br)s2)cc1 128210671 UACVIOQMGRDWOP-NSHDSACASA-N 489.048 5.161 50 10 JKGE Cc1cc(Br)c([C@H](Br)[C@H]2[C@H](C)[C@H](C)O[C@@H]2C)cc1Br 128756740 RZSKNRZQWWPXPM-NEVCATMESA-N 455.028 6.016 50 10 JKGE O=c1[nH]c2ccc([C@H](Br)c3cc(Br)c(Br)s3)cc2o1 128865589 PUQDECZUVCIOHL-JTQLQIEISA-N 467.964 5.192 50 10 JKGE COc1ccc(Cc2nc3cc(C(=O)N/N=C\c4c(Cl)cccc4Cl)ccc3[nH]2)cc1 169925639 PNZVSRDXUKNYJI-ZMFRSBBQSA-N 453.329 5.233 50 10 JKGE N#C/C(=C/Nc1ccc(Cl)cc1C(F)(F)F)C(=O)Nc1ccccc1Sc1ccccc1 217243908 RBDJCVCPBGGXRE-PFONDFGASA-N 473.907 6.968 50 10 JKGE COc1ccc([C@@H](Br)c2ccc(F)cc2I)c(Cl)c1 234981761 OPFCTBHSPFPBHT-CQSZACIVSA-N 455.492 5.577 50 10 JKGE Cc1cccc([C@H](Cl)c2cc(Cl)c(Br)cc2F)c1I 235904589 DFVNKODXVAJYFM-ZDUSSCGKSA-N 473.938 6.483 50 10 JKGE Cl[C@@H](c1csc(Br)c1)c1cc(Br)sc1Br 236037459 FKIOFHDIHSJPGP-QMMMGPOBSA-N 451.430 6.425 50 10 JKGE CC(C)CCC[C@H](C)[C@@H]1CC[C@@H]2[C@H]3CC([N+](=O)[O-])=C4C[C@@H](Cl)CC[C@]4(C)[C@@H]3CC[C@@]12C 253531980 AARKHEFUGCKAGW-JNHWBDOXSA-N 450.107 8.240 50 10 JKGE O=C(NN=Cc1ccc2ccccc2c1)c1ccc(NC(=O)c2ccccc2Br)cc1 254452142 ZXOVPYWBWAHSRV-UHFFFAOYSA-N 472.342 5.619 50 10 JKGE Clc1cc([C@H](Br)c2sccc2I)c(Cl)s1 306395041 GVGJCCDZGQWBOE-ZETCQYMHSA-N 453.979 6.205 50 10 JKGE CCc1cc(C)sc1[C@@H](Cl)c1cc(Br)ccc1I 311062690 IXXNZQSEKGNLSR-ZDUSSCGKSA-N 455.586 6.314 50 10 JKGE Fc1cccc([C@H](Br)c2scc(C(F)(F)F)c2Br)c1Br 380234393 MHWKZOPJGXMUBK-VIFPVBQESA-N 496.943 6.915 50 10 JKGE Fc1cc(Br)c(Cl)cc1[C@@H](Br)c1cccc(OCc2ccccc2)c1 381370372 PRXJJXHDMGATHH-FQEVSTJZSA-N 484.590 7.305 50 10 JKGE Oc1nc2ccc([C@H](Br)c3scc(Br)c3Br)cc2[nH]1 705464303 KMDYYJBULMXQRD-VIFPVBQESA-N 466.980 5.339 50 10 JKGE Cc1ccc2c(c1)nc([C@@H](C)Cl)n2CC1(N(Cc2ccccc2)Cc2ccccc2)COC1 705870105 SPKYQAYNFBTJDR-JOCHJYFZSA-N 460.021 6.116 50 10 JKGE C[C@H](O[C@@]1(CI)CCCN(C(=O)OC(C)(C)C)C1)C1CCCCC1 719736919 OCSKRIAPUGCOGE-HNAYVOBHSA-N 451.389 5.177 50 10 JKGE C[C@H]1Cc2cc(Br)cc([C@H](Cl)c3ccccc3I)c2O1 720123272 HMGMUFBNYUDLKI-BJOHPYRUSA-N 463.540 5.705 50 10 JKGE Clc1ccc(C[C@H](Cl)c2ccc(I)c(Br)c2)cc1Cl 721572970 NXEQCBRLVUGSEN-LBPRGKRZSA-N 490.393 6.883 50 10 JKGE C[C@@H](c1ccccn1)[C@@H](Br)c1ccc(I)c(Br)c1 721580954 WJPMGZPFYTVXBS-LKFCYVNXSA-N 480.969 5.688 50 10 JKGE CC(=NNC(=O)CSc1nnc(-c2ccccc2)n1-c1ccccc1)c1ccccc1Cl 725274053 NDFYONIMQBYTHT-UHFFFAOYSA-N 461.978 5.220 50 10 JKGE O=C(NN=Cc1ccc(Sc2nc3ccccc3c(=O)n2-c2ccccc2)o1)c1cccc(F)c1 1083857888 UZAPARHIMPJELQ-UHFFFAOYSA-N 484.512 5.033 50 10 JKGE Cc1ccc(C=NNC(=O)CCCSc2nnc(CCc3ccccc3)n2-c2ccccc2)cc1 1084072926 SZDGNLPKWGNQLA-UHFFFAOYSA-N 483.641 5.384 50 10 JKGE CCOc1ccc([C@@H](O)CCC(=O)NN=Cc2ccc(OCc3ccccc3Cl)cc2)cc1 1084281844 ZZACQQYGMVCHSL-VWLOTQADSA-N 466.965 5.282 50 10 JKGE Cc1cc(C=NNC(=O)CCSc2ccc(Cl)cc2)c(C)n1-c1ccc(Cl)cc1Cl 1084369329 CIONKAZNGQDNST-UHFFFAOYSA-N 480.848 6.687 50 10 JKGE CCOc1cc(C=NNC(=O)c2ccccc2-n2cccc2)ccc1OCc1ccc(C)cc1 1084401320 HRDQXHMWLMWCBK-UHFFFAOYSA-N 453.542 5.527 50 10 JKGE CCn1c2ccccc2c2cc(C=NNC(=O)COc3ccc(C(C)C)cc3Br)ccc21 1084546594 ZWDXXJMVZVLNKQ-UHFFFAOYSA-N 492.417 6.229 50 10 JKGE O=C(COc1ccc(Cl)cc1)NN=Cc1ccc(Sc2cccc3cccnc23)c([N+](=O)[O-])c1 1084546650 WQMANXCYAWTDCP-UHFFFAOYSA-N 492.944 5.477 50 10 JKGE CC[C@H](C)N1C(=O)C(C#N)=C(C)/C(=C/c2cn(-c3ccccc3)nc2-c2ccc3c(c2)C[C@@H](C)O3)C1=O 1554495711 SUGPQLCFTFYWJZ-LGURERRZSA-N 492.579 5.253 50 10 JKGE Cn1nc(-c2ccccc2)c2c1OC(N)=C(C#N)[C@@H]2c1ccc(OCc2ccc(Cl)cc2)cc1 1865695199 MNFQVNZPZXWQHQ-QHCPKHFHSA-N 468.944 5.538 50 10 JKGE COc1cccc([C@@H]2C(C#N)=C(N)Oc3c2c(-c2ccccc2)nn3-c2ccccc2Cl)c1 1865711556 BITAAPXTYRWHJQ-JOCHJYFZSA-N 454.917 5.419 50 10 JKGE Cc1nncn1C1CCN(c2cc(Nc3ccc(SC#N)cc3)nc(-c3ccccc3)n2)CC1 1868365962 ZLHBSHSWHVERKB-UHFFFAOYSA-N 468.590 5.202 50 10 JKGE CCCc1nc(Nc2ccc(SC#N)cc2)cc(N2C[C@@H](C)O[C@H](c3ccc(F)cc3)C2)n1 1868388336 ITBGYFAMPSVVDH-VGSWGCGISA-N 463.582 5.851 50 10 JKGE COc1ccc2c(c1)c(/C=C1\Oc3cc(OCc4ccc(CCl)cc4)cc(C)c3C1=O)cn2C 1871436868 UITCQGWCGIZEHJ-RAWMCFOBSA-N 473.956 6.429 50 10 JKGE CCOc1ccc(/C=C(C(/O)=C(\C#N)c2nc(-c3cccs3)cs2)\c2ccccc2)cc1 1872750779 QYFOUYMGXVORHL-WNCFZODFSA-N 456.592 7.304 50 10 JKGE CCOc1ccc(CC/C(O)=C(\C#N)c2nc(-c3ccc(OC)c(F)c3)cs2)cc1OC 1872752715 PECTYNHTBXAFKP-JZJYNLBNSA-N 454.523 5.791 50 10 JKGE N#C/C(=C(/O)CCCOc1ccc(Cl)cc1)c1nc(-c2ccc(Oc3ccccc3)cc2)cs1 1872753663 IDQBPZDOQDJVFK-LCUIJRPUSA-N 488.996 7.908 50 10 JKGE COc1c(Cl)cc(Cl)cc1-c1csc(/C(C#N)=C(\O)c2ccc(Cl)c([N+](=O)[O-])c2)n1 1872754166 GEPZDLLEBCOZAI-ATVHPVEESA-N 482.732 6.637 50 10 JKGE CCCCCOc1ccc(/C=C(\C#N)c2nc(-c3cc(C(C)C)c(OC)cc3C)cs2)cc1 1872793015 DAVFCMVPTYLFJF-PXLXIMEGSA-N 460.643 7.884 50 10 JKGE COc1cc(OC)c(-c2csc(/C(C#N)=C/c3ccc(Cl)c([N+](=O)[O-])c3)n2)cc1Cl 1872793774 SCFYAOKYIUMEKR-LFYBBSHMSA-N 462.314 6.106 50 10 JKGE Cc1ccc(/C=N/NC(=O)[C@H](C)Oc2ccc(C(=O)Nc3c(C(C)C)cccc3C(C)C)cc2)[nH]1 1873496946 FUNKFRYVGNYXMA-WSKALFDJSA-N 474.605 5.740 50 10 JKGE CC(C)(C)OC(=O)N[C@H](CBr)[C@H]1CCCN(C(=O)OC(C)(C)C)C12CCCC2 1903366589 LSZJZJHWYAIRNF-HZPDHXFCSA-N 461.441 5.235 50 10 JKGE O=S(=O)(c1ccc(Cl)c(CCl)c1Cl)N(Cc1ccccc1)Cc1cccs1 1914893172 VYNHQSQJJQXAHQ-UHFFFAOYSA-N 460.835 6.185 50 10 JKGE CC[C@H](Br)CN(Cc1ccccc1)C(=O)c1ccc(Br)cc1OC 1915091606 ZLKQHELLDSBOPZ-HNNXBMFYSA-N 455.190 5.274 50 10 JKGE Cc1c(Br)sc([C@@H](Br)c2ccc3c(c2)CCC3)c1Br 1922888338 PXINMUADGIPGMD-ZDUSSCGKSA-N 465.048 6.555 50 10 JKGE COCc1csc([C@H](Br)c2sc(Br)c(C)c2Br)c1 1922907432 UGXYQIVMQHMPDS-JTQLQIEISA-N 475.065 6.274 50 10 JKGE Cc1cc([C@@H](Cl)c2c(Br)sc(Br)c2Cl)ccc1Br 1923038206 HXFQPBOSVUJMKX-SECBINFHSA-N 493.873 7.326 50 10 JKGE CC1(C)C[C@H]1C[C@@H](Br)c1c(Br)sc(Br)c1Cl 1923067381 BSPDPGLYHPPHAH-PHDIDXHHSA-N 451.449 6.799 50 10 JKGE Cl[C@H](c1c(Br)sc(Br)c1Br)C1CCCCC1 1924579922 LUKOQOMHEQICOV-VIFPVBQESA-N 451.449 6.896 50 10 JKGE C[C@@H](CC(C)(C)C)[C@@H](Cl)c1c(Br)sc(Br)c1Br 1924613046 PUOIFMMLOXOVGA-IMTBSYHQSA-N 467.492 7.388 50 10 JKGE Cc1cc(Br)sc1[C@H](Cl)c1scc(Br)c1Br 1939448960 DVQBENHEGQWJTD-QMMMGPOBSA-N 465.457 6.734 50 10 JKGE Cn1ncc(Br)c1[C@@H](Br)c1cc(C2CC2)c(Br)s1 2033626893 NVKCWRMRSPMNLG-JTQLQIEISA-N 455.013 5.368 50 10 JKGE CN(Cc1ccccc1)[C@H]1CCCCN(c2ccc(CBr)cc2Br)C1 2050046427 KKLKPAQCTZHXHT-IBGZPJMESA-N 466.261 5.835 50 10 JKGE Cc1csc([C@H](Br)c2c(C)c(Br)cc(C)c2Br)c1 2081083672 YEZSVPNHYPMJNI-AWEZNQCLSA-N 453.037 6.683 50 10 JKGE Cc1cc(Cl)cc([C@@H](Br)c2ccc(Br)cc2Br)c1 2083338664 NXDWDYKBGPWGCJ-CQSZACIVSA-N 453.399 6.658 50 10 JKGE COc1cc(F)c(Br)cc1[C@@H](Cl)c1csc(Br)c1Br 2093942484 TUOHXYYCZUPGGG-LLVKDONJSA-N 493.417 6.512 50 10 JKGE Fc1ccc(OCc2c(Br)cccc2Br)c(CBr)c1 2094090887 MFXYQUGVBYBNSB-UHFFFAOYSA-N 452.943 5.825 50 10 JKGE COCCCCCC(CBr)(CBr)c1ccccc1Br 2099282517 WRZXHRWYUZOYID-UHFFFAOYSA-N 457.044 5.684 50 10 JKGE Clc1cc(Br)cc(CC[C@H](Br)c2ccccc2Br)c1 2113449378 KDWYLYFDTOMMKZ-HNNXBMFYSA-N 467.426 6.934 50 10 JKGE CC1(C)C[C@H](CBr)CN(C(=O)c2cc(Br)sc2Br)C1 2115962039 XMNIYCBBQCYRMO-MRVPVSSYSA-N 474.056 5.156 50 10 JKGE C[C@@H]1CCC[C@]12[C@@H](Br)C[C@H]2Oc1c(Br)cccc1Br 2117006768 GXDFQRXDDWCKCE-MSELDCQNSA-N 453.012 5.933 50 10 JKGE BrC[C@]1(Cc2cc(Br)ccc2Br)CCCC12CCC2 2118529077 TXZDJKAWFBAWKW-MRXNPFEDSA-N 451.040 6.490 50 10 JKGE O=C(c1scc(Br)c1Br)N1CC2(CCC(Br)CC2)C1 2124676510 GUHUBDCVBYVEFZ-UHFFFAOYSA-N 472.040 5.053 50 10 JKGE BrCc1cc(Br)cc(Br)c1OCC[C@@]12CCC[C@@H]1C2 2125595003 FRRMRHABIJFDAY-IAQYHMDHSA-N 453.012 6.066 50 10 JKGE Brc1ccc([C@@H](Br)c2scc3c2CCCC3)c(Br)c1 2138870685 JZEDRJQEBAXUPH-CQSZACIVSA-N 465.048 6.636 50 10 JKGE ClC[C@@H](Cc1ccccc1Br)Cc1ccc(Br)cc1Br 2148683276 UVDOVPXSRMQMRP-NSHDSACASA-N 481.453 6.614 50 10 JKGE COc1cc(Br)c(C)cc1[C@H](Cl)c1c(Br)cccc1Br 2150503594 NMGKURRKLCJANL-HNNXBMFYSA-N 483.425 6.619 50 10 JKGE CN(c1ccc(F)c(Cl)c1CBr)[C@H]1C[C@@H]2CC[C@H](C1)N2Cc1ccccc1 2151236009 BTOUPHJEPOCTHZ-BCDXTJNWSA-N 451.811 6.006 50 10 JKGE Cc1sc(Br)c([C@@H](Cl)c2cc(I)cc3c2OCC3)c1C 2157250231 BJIYSMHRINPWPO-ZDUSSCGKSA-N 483.596 5.995 50 10 JKGE CC(C)(C)C1CC(COc2c(Br)cc(Br)cc2CBr)C1 2161262003 BPYNAIMZUOCLBR-UHFFFAOYSA-N 469.055 6.558 50 10 JKGE CCc1cc([C@H](Cl)c2ccc(I)c(Br)c2)c(F)cc1F 2175372736 BZEVZDNNFIGOLA-OAHLLOKOSA-N 471.510 6.223 50 10 JKGE CC1(C)CC[C@H](CO[C@H](CI)c2ccccc2Br)OC1 2197344869 XEYYTXWEUOREGG-IUODEOHRSA-N 453.158 5.147 50 10 JKGE Cc1sc(C(=O)N(Cc2ccccc2)C2(CBr)CCC2)c(C)c1Br 2213745178 RQOGKVPQSNADRL-UHFFFAOYSA-N 471.258 6.087 50 10 JKGE CC1(C)[C@H]([C@H](Br)c2c(Br)cc(Cl)c(Cl)c2Cl)C1(F)F 2224319188 CXZATNDZEIRVBX-XCBNKYQSSA-N 457.367 7.137 50 10 JKGE Fc1ccc(Br)c([C@@H](Cl)c2c(Br)cc(Cl)c(Cl)c2Cl)c1 2232510787 HYKJVWGPXVQROF-LLVKDONJSA-N 481.801 7.639 50 10 JKGE C[C@H]1CCN(Cc2ccccc2)C[C@H]1n1c(CCl)nc2c(F)cc(Br)cc21 2232916638 SQHWVUCCEXRUNU-IFXJQAMLSA-N 450.783 5.760 50 10 JKGE CC(C)[C@@H](CN(C)Cc1ccccc1)n1c(CCl)nc2c(F)cc(Br)cc21 2232932106 ZTHQBOPQXIJFEM-LJQANCHMSA-N 452.799 6.006 50 10 JKGE Cc1cc(Br)c([C@H](Br)C2CCC(F)(F)CC2)c(C)c1Br 2235602356 CYRQQIMKJFCXJD-CQSZACIVSA-N 475.009 7.090 50 10 JKGE Cc1cc(Br)c([C@H](Br)[C@@H]2CC[C@H]2C(F)(F)F)c(C)c1Br 2235615816 VPNVXOATGOJUQB-JRKPZEMJSA-N 478.972 6.853 50 10 JKGE Brc1ccc(C[C@@H](Br)c2ccc3c(c2Br)CCO3)cc1 2238076022 GYAXNZNXEXJPTN-CQSZACIVSA-N 460.991 5.825 50 10 JKGE C[C@@H](CCBr)N(Cc1ccccc1)C(=O)c1cc(F)c(Br)cc1Cl 2248028304 IBPTWPSBNZJKDJ-LBPRGKRZSA-N 477.599 6.058 50 10 JKGE Brc1cc(Br)cc(C[C@H](Br)c2cocc2Br)c1 2252829567 KAXDVSNZIOLATF-NSHDSACASA-N 487.811 6.246 50 10 JKGE COc1ccc([C@@H](Br)c2ccccc2Br)cc1I 2257368777 JOUBFHBHVFJKKQ-CQSZACIVSA-N 481.953 5.547 50 10 JKGE FC[C@@]12CC[C@@]([C@@H](Br)c3cc(Br)ccc3Br)(CO1)C2 2274686505 MFIXECSMXXJHBP-IHRRRGAJSA-N 456.975 5.556 50 10 JKGE Cc1c([C@@H](Cl)Cc2cc(Br)cc(Br)c2)nn(C)c1Br 2277961320 RQCXYAFVPUJKHI-NSHDSACASA-N 471.418 5.539 50 10 JKGE Brc1cc(Br)cc(C[C@@H](Br)C2CCCCCCC2)c1 2277961833 YSVDLPFSEJWMPZ-MRXNPFEDSA-N 453.056 6.878 50 10 JKGE CCN(C[C@@](C)(CI)OC1(C)C2CC3CC(C2)CC1C3)C(=O)OC(C)(C)C 2287253015 MBJHTMXICXINJO-KEZLDIQISA-N 491.454 5.669 50 10 JKGE C[C@@H](Br)CN(CCC(C)(C)C)Cc1c(Br)cccc1Br 2288152587 XUQPESDROZEBLG-GFCCVEGCSA-N 470.087 6.233 50 10 JKGE Fc1cc(F)cc([C@@H](Br)c2c(F)cc(Br)c(F)c2Br)c1 2288373286 HOSIFTPKHGFYHV-LLVKDONJSA-N 476.887 6.252 50 10 JKGE CCOc1c(Br)cc(C=C(C#N)C(=O)Nc2cc(Cl)ccc2Cl)cc1OC 2293665374 LOOZYQUDAZQYCV-UHFFFAOYSA-N 470.150 5.709 50 10 JKGE N#CC(=Cc1ccc(OCc2cccc3ccccc23)cc1)C(=O)Nc1ccc(Cl)c(Cl)c1 2294172049 XDOQZZIVYGXXPR-UHFFFAOYSA-N 473.359 7.271 50 10 JKGE CCC(CC)(CBr)CNC(=O)Cc1cc(Br)cc(Br)c1 2295308385 WZRAYKLVAUKQJC-UHFFFAOYSA-N 470.043 5.072 50 10 JKGE COc1c(Br)cc([C@@H](Br)c2cc(Br)sn2)c(OC)c1C 2295431544 XUTGBNSVFFNTNV-LLVKDONJSA-N 486.023 5.478 50 10 JKGE CCn1c2ccccc2c2cc(NC=C(C#N)c3nc(-c4ccc5c(c4)OCO5)cs3)ccc21 2295945614 CBLSGSJQTNFJSP-UHFFFAOYSA-N 464.550 6.643 50 10 JKGE Cc1csc([C@@H](Cl)c2ccc(OCc3ccccc3)cc2Br)c1Br 2299490017 VFQYQHKRJJAEKY-SFHVURJKSA-N 486.656 7.489 50 10 JKGE CC(F)(F)C[C@@H](Br)c1c(Cl)cc(Br)c(F)c1Br 2300179315 RMCYSCCFCXCSTQ-RXMQYKEDSA-N 459.325 6.485 50 10 JKGE Fc1cccc(Cl)c1[C@@H](Br)c1sc(Cl)cc1I 2300953242 HBXZZSDCILASNC-SNVBAGLBSA-N 465.940 6.283 50 10 JKGE Clc1ccc(Br)c([C@@H](Cl)c2sc(Cl)cc2I)c1 2301085605 GKWCKWIXKMWAOV-SNVBAGLBSA-N 482.395 6.750 50 10 JKGE Cc1cc(C=C(C#N)c2cccc(C(F)(F)F)c2)c(C)n1-c1cc(C(=O)O)cc(C(=O)O)c1 2313562229 JRFIIPKMHKRHRX-UHFFFAOYSA-N 454.404 5.574 50 10 JKGE C=CCc1cc(C=C(C#N)C(=O)Nc2ccc(C)cc2)ccc1OCc1ccc([N+](=O)[O-])cc1 2313568371 RMQSJMMVFULFFO-UHFFFAOYSA-N 453.498 5.756 50 10 JKGE COc1cccc(C=C(C#N)C(=O)Nc2cc(Cl)ccc2Cl)c1OCc1ccccc1 2313631745 VBLLYUYEPNUPEF-UHFFFAOYSA-N 453.325 6.127 50 10 JKGE N#CC(=Cc1ccc(-c2c(Cl)cccc2Cl)o1)C(=O)Nc1cc(Cl)ccc1Cl 2314571316 DHSRXWZSKOVGDC-UHFFFAOYSA-N 452.124 7.106 50 10 JKGE COc1cc([C@H](Cl)c2cc(Br)ccc2OCc2ccccc2)sc1Cl 2317955762 RSEWKXPZFNHGCG-GOSISDBHSA-N 458.204 7.080 50 10 JKGE Clc1c(Br)sc(Br)c1[C@H](Br)C[C@@H]1CC[C@@H]1C1CC1 2319585217 CENLCRNXZBHVNM-DJLDLDEBSA-N 477.487 7.189 50 10 JKGE COc1c(Cl)cc(Cl)cc1-c1csc(C(C#N)=C(O)c2ccc(OCC(C)C)cc2)n1 2331364056 HYZZPIFDBHWNSM-UHFFFAOYSA-N 475.397 7.110 50 10 JKGE Cc1cc(C)c(C)c(-c2csc(C(C#N)=C(O)c3c(Cl)ccc(Cl)c3Cl)n2)c1C 2331366336 QETKVYCPWBLDNK-UHFFFAOYSA-N 463.817 7.954 50 10 JKGE COc1cc(C=C(C#N)c2nc(-c3ccc(Br)cc3)cs2)ccc1OC(C)C 2331429955 ZKNBCFXGRLNZRC-UHFFFAOYSA-N 455.377 6.433 50 10 JKGE CCCCCOc1ccc(C=C(C#N)c2nc(-c3ccc(OCC)cc3OCC)cs2)cc1 2331473620 OMFZOFNXYZUDSJ-UHFFFAOYSA-N 462.615 7.241 50 10 JKGE CC[C@](C)(C(F)F)[C@@H](Br)c1c(F)cc(Br)c(F)c1Br 2336600451 PEQBRGIPHUKRPF-JQWIXIFHSA-N 470.924 6.607 50 10 JKGE Fc1c(Br)cc(Cl)c([C@H](Br)[C@]23CCCC[C@H]2C3)c1Br 2337082792 QFPKNEXCBMHXLC-GTNLGMRDSA-N 475.421 7.020 50 10 JKGE CC1(C)CC12CC(CBr)(Cc1ccc(Cl)c(I)c1)C2 2337228317 VTWYQBWYUOEIDQ-UHFFFAOYSA-N 453.589 6.079 50 10 JKGE CCCc1sc(Br)cc1[C@@H](Cl)c1c(Br)cccc1Br 2338031116 ZSRVZORMFVFWKW-CQSZACIVSA-N 487.482 7.316 50 10 JKGE Cc1cc(F)c(CBr)c(Oc2cc(Br)cc(Br)c2)c1 2338866070 VOLYHZGNXCBJJP-UHFFFAOYSA-N 452.943 6.346 50 10 JKGE COc1cc(CBr)cc(Oc2cc(I)ccc2Cl)n1 2339285668 JINHOOOEOJWOPY-UHFFFAOYSA-N 454.489 5.035 50 10 JKGE ClC[C@@H](Cc1ccc(Cl)cc1I)c1ccc(Br)cc1 2341052532 UDEWWXMSFMFOEG-GFCCVEGCSA-N 469.975 6.272 50 10 JKGE Clc1ccc(I)cc1CC[C@H](Br)CC1CCCCC1 2352427948 NSWYDUVFFBECPG-AWEZNQCLSA-N 455.605 6.611 50 10 JKGE CC(C)[C@H](CBr)CN1CC[C@H](CCNC(=O)OC(C)(C)C)C[C@@H]1C(F)(F)F 2362788890 MOCCVMCUGZOAQL-ARFHVFGLSA-N 459.391 5.211 50 10 JKGE COc1c(Br)cc(C)c([C@@H](Br)[C@H]2C[C@H]3CC[C@H]2C3)c1Br 2365187568 BNNFGLLGMNUBLW-RMIALFOJSA-N 467.039 6.401 50 10 JKGE COc1c(Br)cc(C)c([C@H](Br)CC2C[C@@H]3C[C@H]3C2)c1Br 2365191806 RJUUAHAJXXRBFV-IJLUTSLNSA-N 467.039 6.401 50 10 JKGE ClC[C@@H]1CN(Cc2ccc(I)c(Br)c2)CC12CCCC2 2377347841 POJXYCHWIQRLEB-CYBMUJFWSA-N 468.604 5.285 50 10 JKGE COc1ccc(/C=N/NC(=O)c2cc3ccccc3cc2O)cc1COc1ccc(F)cc1F 2945948 WTXWMOMUPBOLGV-IPPBACCNSA-N 462.452 5.175 50 10 JKGE COc1ccc([C@H](C(=O)NC2CCCCC2)N(C(=O)CCl)c2cccc(Cl)c2C)cc1 3035310 AKEUEYXWWOVNLM-HSZRJFAPSA-N 463.405 5.419 50 10 JKGE CCOc1ccccc1N/C(SCc1cccc([N+](=O)[O-])c1)=C(/C#N)C(=O)NCc1ccccc1 3052482 PCYJQRGHKFEGJQ-XTCLZLMSSA-N 488.569 5.390 50 10 JKGE CCSc1sc(CC)cc1[C@H]1C(C#N)=C(N)N(c2ccc(CC)cc2)C2=C1C(=O)CC(C)(C)C2 9982348 TYWSEZCWNXDXGC-DEOSSOPVSA-N 491.726 6.926 50 10 JKGE CSc1sc(C)cc1[C@@H]1C(C#N)=C(N)N(c2ccccc2C)C2=C1C(=O)C[C@@H](c1ccccc1)C2 9982511 GHLNRGIZCWMQEN-RXFWQSSRSA-N 497.689 6.785 50 10 JKGE N#C/C(C(=O)CN1CCC(Cc2ccccc2)CC1)=C1\NC(c2ccc(Cl)cc2)=CS1 15905849 JMOQGTSUDPDHMH-LVWGJNHUSA-N 450.007 5.234 50 10 JKGE COc1cc(/C=C(/C#N)c2cccc(Cl)c2)ccc1OC(=O)COc1ccc(Cl)cc1Cl 31902370 SVABGOMOCYBWLN-MFOYZWKCSA-N 488.754 6.704 50 10 JKGE CCC(C)(C)c1ccc(OCCCC(=O)N/N=C(/C)c2ccc(C#N)cc2)c(C(C)(C)CC)c1 35363541 KTHSWENTHHBCTA-YQYKVWLJSA-N 461.650 6.633 50 10 JKGE CCCCOc1ccc(C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@H]3c2ccc(OCCC)cc2)cc1 38650664 TYTUCRSVBHAGAS-NDEPHWFRSA-N 498.579 6.092 50 10 JKGE CCOc1ccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4oc5cc(C)ccc5c4C)ccc32)cc1 38701370 CLVYOZUNLLOOBB-SANMLTNESA-N 480.520 5.886 50 10 JKGE COC(=O)c1c(NC(=O)/C(C#N)=C/c2ccc(-c3ccc(C)cc3[N+](=O)[O-])o2)sc2c1CCCC2 39884921 UVTVEZSIPOUWFF-NTCAYCPXSA-N 491.525 5.436 50 10 JKGE N#C/C(=C\c1ccc(-c2cccc(Cl)c2Cl)o1)c1nc(-c2cc3ccccc3oc2=O)cs1 39885051 WKPFFXUGQWLCQF-XNTDXEJSSA-N 491.355 7.547 50 10 JKGE COc1cc(/C=C(\C#N)c2ccc(Cl)cc2)ccc1OC(=O)c1ccc(-c2ccccc2)cc1 40847922 VDPYBUUDNYXGNJ-KOEQRZSOSA-N 465.936 7.299 50 10 JKGE O=C/C(=C\Nc1ccc(C(F)(F)F)cc1)[C@H](Nc1ccc(C(F)(F)F)cc1)c1ccco1 48546631 FYAOQENORORLAI-PKHIPVCBSA-N 454.370 6.665 50 10 JKGE O=C(CC[C@@H](O)c1ccccc1)N/N=C\c1cc(Br)ccc1OCc1ccc(F)cc1 58892492 PKEKTGZNNHKRLG-RJNBOEKGSA-N 485.353 5.131 50 10 JKGE CCOc1cc(/C=C(/C#N)C(=O)Nc2ccc(C)cc2)ccc1OCc1ccc(Br)cc1 59335090 FYOLYJATNYPUTF-STZFKDTASA-N 491.385 6.281 50 10 JKGE ClCc1nc2cc(I)ccc2n1-c1cc(Br)ccc1Cl 97354967 JVEVJYSSZBJRQD-UHFFFAOYSA-N 481.946 5.785 50 10 JKGE Cc1ccc(-n2c(CCl)nc3cc(I)c(F)cc32)cc1Br 97409219 KQKJUJHEWSAGHB-UHFFFAOYSA-N 479.518 5.579 50 10 JKGE S=C=Nc1ccc(Cc2ccc(N=C=S)c(Cl)c2N=C=S)c(N=C=S)c1Cl 100209689 OGJXZYCHHMTXQR-UHFFFAOYSA-N 465.437 7.521 50 10 JKGE CC(C)(C)c1ccc(Oc2coc3cc(OC(=O)/C(C#N)=C\c4ccccc4)ccc3c2=O)cc1 103771279 CFONYBBRBFGQAS-HKWRFOASSA-N 465.505 6.395 50 10 JKGE COc1ccc([C@H](Br)c2ccc(OC)c(Br)c2)c(Br)c1 109876918 AHXJVWNBCOJZPH-OAHLLOKOSA-N 464.979 5.713 50 10 JKGE COc1c(C)cc(Br)c(C)c1[C@H](Br)c1cc(F)cc(Br)c1 125745946 QXAXBIPIPHXQQU-OAHLLOKOSA-N 480.997 6.460 50 10 JKGE Fc1ccc(C(F)(F)F)cc1[C@@H](Cl)c1cc(Br)c(Br)s1 128282294 SDSRYVOJWQIOGP-SNVBAGLBSA-N 452.492 6.759 50 10 JKGE Cc1cc(Br)c([C@H](Br)[C@@H]2Cc3ccccc3O2)cc1Br 128766622 KEIIYOLGZXUYCE-HOTGVXAUSA-N 460.991 5.960 50 10 JKGE COc1cc(-n2c(CCl)nc3cc(I)ccc32)ccc1Br 169245077 SVIPYBVRILLHPX-UHFFFAOYSA-N 477.527 5.140 50 10 JKGE CCCCOc1cccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)/C=C\c4ccccc4)ccc32)c1 205660307 HTGVWBAZYQRCGM-IKMPNWIVSA-N 466.537 5.702 50 10 JKGE O=C(NC[C@@H](Br)c1ccccc1)c1ccc(Br)cc1Br 232475175 FGUJFRLHHIILGD-CQSZACIVSA-N 461.979 5.078 50 10 JKGE CC(=NNC(=O)CSc1nc2ccccc2c(=O)n1-c1ccccc1)c1cccc2ccccc12 254396621 YNEXHMQOECYPCD-UHFFFAOYSA-N 478.577 5.171 50 10 JKGE CCCCOc1ccc(C(=O)Oc2ccc(C=NNC(=O)c3cccc4ccccc34)cc2OC)cc1 254400753 PMFVSVGKBQTODH-UHFFFAOYSA-N 496.563 6.010 50 10 JKGE CCc1ccc(OCC(=O)OCC(=O)N(N=Cc2ccccc2)c2cccc(C(F)(F)F)c2)cc1 254590622 BHLQRHQVERKMGO-UHFFFAOYSA-N 484.474 5.257 50 10 JKGE O=C(CNc1cccc(C(F)(F)F)c1)NN=Cc1c2ccccc2c(Cl)c2ccccc12 254754070 BTJSMSRLMBBJOQ-UHFFFAOYSA-N 455.867 6.227 50 10 JKGE COc1ccc(Br)cc1C(=O)NN=Cc1ccccc1OC(=O)c1ccc(Cl)cc1 254821700 CRSVEFCPUWFZQM-UHFFFAOYSA-N 487.737 5.094 50 10 JKGE Cc1cc([C@@H](Cl)c2cc(I)ccc2Br)sc1Cl 300465784 ZYOSICSZRPFTRK-NSHDSACASA-N 461.977 6.405 50 10 JKGE Cc1cccc([C@H](Br)c2cc(Cl)sc2Cl)c1I 300471143 HDAWVHQCGIFUFM-JTQLQIEISA-N 461.977 6.452 50 10 JKGE C[C@H](Br)C[C@@H]1CCCCN1C(=O)c1cc(Br)cc(Br)c1 312938877 HETMQWZMPFETLQ-HZMBPMFUSA-N 468.027 5.380 50 10 JKGE C[C@@H](CN(C)Cc1ccccc1)n1c(CCl)nc2cc(I)ccc21 383248768 FSQJYKAPVGELKG-AWEZNQCLSA-N 453.755 5.073 50 10 JKGE CC(C)(C)[Si](C)(C)OCCc1ccccc1[C@@H]1CN(S(=O)(=O)c2ccccc2)CCCO1 616597396 FAQLXYPGROJIGB-DEOSSOPVSA-N 475.727 5.403 50 10 JKGE CC(C)(C)[Si](C)(C)OCCN1CCO[C@@H](c2ccc(CO[Si](C)(C)C(C)(C)C)cc2)C1 616645519 RDLCHLRDQBLYNB-HSZRJFAPSA-N 465.827 6.604 50 10 JKGE COc1ccc(Br)cc1[C@@H](Br)c1ccc(F)c(Br)c1F 691514134 PZTMNRHTHUUGCA-LBPRGKRZSA-N 470.933 5.983 50 10 JKGE Clc1cc([C@@H](Br)c2ccsc2Br)sc1Br 698673219 UITKRIOGGGXZDM-ZETCQYMHSA-N 451.430 6.472 50 10 JKGE BrCc1ccc(N2C[C@H]3CC[C@H]2[C@@H]2CN(Cc4ccccc4)C[C@H]32)c(Br)c1 705886848 SVTIJROZRLQGKH-VMBXEPDQSA-N 490.283 5.691 50 10 JKGE Cc1ccc([C@@H](Br)c2cc(Cl)ccc2Br)c(C)c1Br 719534000 FCCLOROYTPNVFM-OAHLLOKOSA-N 467.426 6.966 50 10 JKGE C[C@@H]1Cc2cc(Br)cc([C@H](Br)c3occc3Br)c2O1 720030978 GQQZFENWSTYXRP-KRTXAFLBSA-N 450.952 5.612 50 10 JKGE Cc1cc(F)cc(C)c1[C@H](Cl)c1ccc(I)c(Br)c1 721604553 QGJYFZYISQZDAQ-OAHLLOKOSA-N 453.520 6.138 50 10 JKGE N#C/C(=C/c1ccccc1OCc1cccc(Cl)c1)C(=O)Nc1ccc(Cl)c(Cl)c1 1084001260 BAMBXCJERFJWAQ-BOPFTXTBSA-N 457.744 6.771 50 10 JKGE N#C/C(=C/c1cc(Cl)ccc1OCc1ccccc1Cl)C(=O)Nc1ccccc1Cl 1084179234 XRKKJPCQFMEAQW-BOPFTXTBSA-N 457.744 6.771 50 10 JKGE C[C@H](SCc1ccccc1)C(=O)NN=Cc1ccc(Oc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])cc1 1084271551 NRJJUPDCWMPYHR-INIZCTEOSA-N 480.502 5.067 50 10 JKGE Cc1ccc(NC(=O)/C(C#N)=C\c2cc(Cl)ccc2OCc2ccccc2Cl)c(C)c1 1084594962 ZSHCTCREFDCPEE-NDENLUEZSA-N 451.353 6.735 50 10 JKGE CC(C)(C)c1ccc([C@H]2C(C#N)=C(N)Oc3c2c(C(F)(F)F)nn3Cc2ccc(F)cc2)cc1 1865682100 GDCRMWQTQQSWTG-IBGZPJMESA-N 470.470 5.605 50 10 JKGE CC(C)(C)c1ccc([C@@H]2C(C#N)=C(N)Oc3c2c(-c2ccccc2)nn3Cc2ccccc2)cc1 1865682700 VWEMDJHJZYJEDK-RUZDIDTESA-N 460.581 6.114 50 10 JKGE CCCc1nn(Cc2ccc(C)cc2)c2c1[C@H](c1ccc(Cl)cc1Cl)C(C#N)=C(N)O2 1865686021 QHUJYXFPJQJBBQ-OAQYLSRUSA-N 453.373 5.717 50 10 JKGE CCCOc1ccc([C@@H]2C(C#N)=C(N)Oc3c2c(C)nn3Cc2cc(C)ccc2C)cc1OCC 1865688706 YUFWMOHOEKGPGY-AREMUKBSSA-N 472.589 5.262 50 10 JKGE CCCCCOc1ccc([C@H]2C(C#N)=C(N)Oc3c2c(C(F)(F)F)nn3-c2ccc(C)cc2)cc1 1865690720 ZNLIINGCGFHUAS-NRFANRHFSA-N 482.506 5.987 50 10 JKGE COc1ccc(-c2nn(Cc3ccc(Cl)c(Cl)c3)c3c2[C@@H](c2ccco2)C(C#N)=C(N)O3)cc1 1865698583 XYINXZDEWVKMHY-OAQYLSRUSA-N 493.350 5.725 50 10 JKGE O=c1cc(-c2cc3cc(Cl)ccc3oc2=O)c2ccc(OCc3ccc(CCl)cc3)cc2o1 1871436577 GHGJIKHYKXKULD-UHFFFAOYSA-N 479.315 6.538 50 10 JKGE Cc1ccc(S(=O)(=O)NC/C(O)=C(\C#N)c2nc(-c3ccc4ccccc4c3)cs2)cc1 1872745398 LGKPUTNUWMWFGR-LNVKXUELSA-N 461.568 5.043 50 10 JKGE CC(C)c1ccc(/C=C/C(O)=C(\C#N)c2nc(-c3ccc(Br)cc3)cs2)cc1 1872746768 XDZXGHLITKOSBH-IWEWPBRPSA-N 451.389 7.202 50 10 JKGE CCCOc1ccc(-c2csc(/C(C#N)=C(O)/C=C/c3ccc(OCC)c(OC)c3)n2)cc1 1872749509 UPFWZXHGWKUWPP-LGSFVZSTSA-N 462.571 6.512 50 10 JKGE CC[C@@H](C)N1C(=O)c2ccc(/C(O)=C(\C#N)c3nc(-c4ccc(C)c(C)c4)cs3)cc2C1=O 1872756372 JEQIZJOWJBELBH-DLTPIXJPSA-N 457.555 5.771 50 10 JKGE Cc1sc([C@H](Br)c2cc(I)sn2)cc1Br 1909888705 GYWMOAZRNYSNEG-SECBINFHSA-N 479.000 5.364 50 10 JKGE C[C@H](Br)CN(Cc1ccccc1)C(=O)c1cc(Br)c(Br)s1 1914661108 IPFGAPJUTYEGEH-JTQLQIEISA-N 496.062 5.699 50 10 JKGE Cc1c(Br)sc([C@H](Br)c2ccc(OC(F)F)cc2)c1Br 1922888037 XQFQUOIFPIRZDQ-SNVBAGLBSA-N 490.989 6.667 50 10 JKGE Cl[C@H](Cc1ccccc1Br)c1sc(Br)cc1Br 1922896094 BUJGHVFLUOLOON-SNVBAGLBSA-N 459.428 6.558 50 10 JKGE C[C@@H](C[C@@H](Br)c1c(Br)sc(Br)c1Cl)C(F)(F)F 1923062838 SWDYGCYUQFEFOH-IUYQGCFVSA-N 479.381 6.951 50 10 JKGE CC(C)(C)O[C@H]1C[C@@H]([C@@H](Cl)c2c(Br)sc(Br)c2Br)C1 1924568235 DFUDKDLGPQDAMS-MATHAZKKSA-N 495.502 6.909 50 10 JKGE C[C@H]([C@@H]1CCCO1)[C@@H](Cl)c1c(Br)sc(Br)c1Br 1924615237 YBOXPWHZWLGIMV-QIOHGKGESA-N 467.448 6.131 50 10 JKGE Fc1ccc([C@@H](Br)c2c(Cl)sc(Br)c2Cl)c(Br)c1 1925584443 JCDXZSHFBYNCKO-MRVPVSSYSA-N 497.836 7.203 50 10 JKGE Cc1cc([C@H](Cl)c2cc(Br)sc2Br)c(Br)s1 1939962594 OQMIRFRSYNYXLJ-QMMMGPOBSA-N 465.457 6.734 50 10 JKGE Cc1cc([C@@H](Br)c2c(Cl)sc(Br)c2Cl)c(Br)s1 1951017141 YXCNUUXTLUDVTC-ZCFIWIBFSA-N 499.902 7.434 50 10 JKGE Cc1c(Br)ccc([C@@H](Cl)c2cc(Br)sn2)c1Br 2024283044 OPFCQLUFZINIPW-LLVKDONJSA-N 460.416 6.067 50 10 JKGE Cc1c(Br)sc([C@H](Br)C2CCC(C)(C)CC2)c1Br 2039359843 NJDGWPQOFBETQH-LLVKDONJSA-N 459.085 7.234 50 10 JKGE CC(C)(C)c1ccc(-n2nc(CBr)c(I)c2C(F)(F)F)cc1 2079257907 DBJJNCPFLJBPOT-UHFFFAOYSA-N 487.101 5.688 50 10 JKGE CC(C)(C)[C@@H](CCBr)NC(=O)c1cccc(Br)c1Br 2092341107 XYXPFZGJHKOQTE-LLVKDONJSA-N 456.016 5.141 50 10 JKGE C[C@H]1CCO[C@H]1CC(CBr)(CBr)c1ccc(Br)cc1 2096130849 YQLGNCDLENLZRZ-FZMZJTMJSA-N 455.028 5.292 50 10 JKGE BrC[C@@]12CCC[C@@H]1CN(Cc1c(Br)cccc1Br)C2 2103175568 KCTXYEPXTWRKRU-IAQYHMDHSA-N 452.028 5.209 50 10 JKGE COc1ccc(C[C@@H](Br)c2scc(Br)c2Br)cc1F 2112118058 VGLIBLLCODRDAG-MRVPVSSYSA-N 472.999 6.100 50 10 JKGE FC1(F)[C@H]2C[C@](CBr)(Cc3cc(Br)ccc3Br)C[C@H]21 2118526307 DHFPWKSRYSYSCC-PJXYFTJBSA-N 458.966 5.811 50 10 JKGE Fc1cccc([C@H](Br)CCc2cc(Br)ccc2Br)c1 2118532467 QAXNAUAZBRUZAK-CQSZACIVSA-N 450.971 6.420 50 10 JKGE Clc1cc(Br)cnc1CC(CBr)(CBr)C1CCCC1 2127196622 UDHONSOBJZDSDR-UHFFFAOYSA-N 474.462 6.006 50 10 JKGE CC(C)(C)[C@H]1[C@H](Br)CCN1C(=O)c1csc(Br)c1Br 2128677755 CRPARLRXIBSJAZ-PSASIEDQSA-N 474.056 5.297 50 10 JKGE Cc1csc([C@H](Br)c2c(Br)cc(F)c(Cl)c2F)c1Br 2136964445 PHIOILSLONAMAK-SECBINFHSA-N 495.408 6.997 50 10 JKGE CC12CCC([C@H](Br)c3ccc(Br)cc3Br)(CC1)CO2 2138869950 FAJGRXSEABYIEG-WLYUNCDWSA-N 453.012 5.997 50 10 JKGE Br[C@H](c1csc(I)c1)c1ccc(-c2ccccc2)s1 2141207035 QGMXUDBREJZZKK-OAHLLOKOSA-N 461.187 6.566 50 10 JKGE Fc1cc2c(cc1Br)nc(CCl)n2[C@H]1CCCCN(Cc2ccccc2)C1 2158570733 FYTHJYXJGUWSSX-INIZCTEOSA-N 450.783 5.904 50 10 JKGE CC(C)(C)OC(=O)NC[C@@H]1C[C@H](C(F)(F)F)CCN1C[C@@H](CBr)C(C)(C)C 2163834317 FRXMSUOIEPVUDC-KFWWJZLASA-N 459.391 5.211 50 10 JKGE Cc1c(Cl)cc([C@H](Br)Cc2ccc(Cl)c(Cl)c2)cc1Br 2167380556 GKVCRNXSBCTFKN-GFCCVEGCSA-N 457.420 7.396 50 10 JKGE CCn1cc(Br)c([C@@H](Cl)c2scc(C(F)(F)F)c2Br)n1 2181175370 LMSLPRLSZIBYKS-MRVPVSSYSA-N 452.521 5.837 50 10 JKGE Cc1cc(Br)c(C)c([C@H](Br)C2C[C@@H]3[C@@H](C2)C3(C)C)c1Br 2201069311 VBXRSESFCPJAOE-XHBSWPGZSA-N 465.067 6.947 50 10 JKGE Cc1c(Br)ccc([C@@H](Br)c2cccc3ccsc23)c1Br 2203688318 UJNLSCBCEIFDMQ-OAHLLOKOSA-N 475.043 7.219 50 10 JKGE CC(C)[C@@H](Br)Cc1sc(Br)c(Br)c1Br 2209977190 PWVAQONNBKPLML-YFKPBYRVSA-N 469.862 5.998 50 10 JKGE C[C@@H](CCBr)N(Cc1ccccc1)Cc1c(Br)sc2ccccc12 2213026574 CTVVMRDEVFNSHP-HNNXBMFYSA-N 467.270 6.840 50 10 JKGE CCc1nc([C@H](Br)c2c(C)sc(Br)c2C)c(Br)s1 2218797646 GGWMNVDFPMWBCQ-SECBINFHSA-N 474.081 6.393 50 10 JKGE Cc1sc([C@H](Br)[C@@H](C)c2ccncc2Br)cc1Br 2218971901 ONVRTUYDTNABEN-WPPNPWJKSA-N 454.025 6.216 50 10 JKGE Cc1sc([C@@H](Br)c2ccc(F)c(Br)c2)c(Br)c1C 2221825437 OSJXVYYLHGNJFB-LBPRGKRZSA-N 457.000 6.513 50 10 JKGE CCC(CC)(CC)[C@H](Br)c1c(Br)cc(Cl)c(Cl)c1Cl 2224307869 QTVWQZUMWACICI-CYBMUJFWSA-N 451.457 8.062 50 10 JKGE COc1c(C(C)C)cc(Br)cc1[C@H](Br)C1(Br)CCC1 2224916094 SCZXIQAOXKRHTH-AWEZNQCLSA-N 455.028 6.335 50 10 JKGE Cc1sc([C@H](Cl)c2cc(I)cc3c2OCC3)cc1Br 2226082083 KVXYUIUOJOSOQE-CYBMUJFWSA-N 469.569 5.687 50 10 JKGE Cc1cc(Br)c([C@H](Br)[C@H]2C[C@@H]2C(F)(F)F)c(C)c1Br 2227348503 NYQVTQDISSQBGN-YVZVNANGSA-N 464.945 6.463 50 10 JKGE Cc1ccc([C@H](Br)c2c(Br)cc(C)c(Br)c2C)cc1Cl 2235603805 KWCKLGLNLAURHB-INIZCTEOSA-N 481.453 7.275 50 10 JKGE Cc1cc(Br)c([C@H](Br)[C@H]2CC[C@H]2C(F)(F)F)c(C)c1Br 2235615815 VPNVXOATGOJUQB-IGJMFERPSA-N 478.972 6.853 50 10 JKGE COc1cc(C)c([C@@H](Br)c2sc(C)c(C)c2Br)cc1Br 2237632569 ZKJVSGREJSZQDE-CQSZACIVSA-N 483.063 6.691 50 10 JKGE O=[N+]([O-])c1c(Br)cccc1Oc1ccc(Br)cc1CBr 2240738344 HKYNLRYXCUOXSO-UHFFFAOYSA-N 465.923 5.807 50 10 JKGE CC[C@H](Oc1c(Br)cc(CBr)cc1Br)C(F)(F)F 2263890642 FNCQYXRPBLCUHD-VIFPVBQESA-N 454.906 5.826 50 10 JKGE CN(Cc1ccccc1I)c1cc(Br)ccc1CCl 2265530883 QTXQTEYJPMDLFQ-UHFFFAOYSA-N 450.545 5.429 50 10 JKGE Fc1cc(Br)c(F)c(Br)c1[C@H](Br)CC1CCCCC1 2272737694 FGPHEGHMRDUPSL-SECBINFHSA-N 460.982 6.896 50 10 JKGE CCn1cc([C@H](Br)c2ccc(OC)c(Cl)c2Br)nc1Br 2283561538 GZWOKPMRJYZKDI-SNVBAGLBSA-N 487.417 5.574 50 10 JKGE CCn1cc(Br)c([C@@H](Br)c2ccc(OC)c(Cl)c2Br)n1 2283568829 RRVKWVYWWHEKQJ-NSHDSACASA-N 487.417 5.574 50 10 JKGE COCCCNC(=O)C(C#N)=Cc1cn(-c2ccccc2)nc1-c1ccc(OCCC(C)C)cc1 2296539111 CCXWBPOHPXFIAG-UHFFFAOYSA-N 472.589 5.024 50 10 JKGE CCOc1ccc(NC(SCc2ccccc2Cl)=C(C#N)C(=O)NCc2ccco2)cc1 2297414534 FEUCTCHLFJZLPV-UHFFFAOYSA-N 467.978 5.729 50 10 JKGE CCN(CC)c1ccc(C=C(C#N)c2nc3ccc(C)cc3[nH]2)c(OCc2ccc(Cl)cc2)c1 2297561953 IMHMYFDRVCRITL-UHFFFAOYSA-N 471.004 7.014 50 10 JKGE CCc1ccc([C@@H](Br)c2cc(Br)ccc2OCc2ccccc2)o1 2299496482 ULRUYDDDURSJGW-FQEVSTJZSA-N 450.170 6.668 50 10 JKGE Cc1cc([C@@H](Cl)c2ccc(Cl)cc2I)sc1Br 2301796231 JJBXABIIBTVUGY-NSHDSACASA-N 461.977 6.405 50 10 JKGE Fc1c(Br)cc(Cl)c([C@@H](Br)[C@H]2C[C@H](F)C2)c1Br 2307224298 DYUKVTKOHKGZHP-PJPYAQQDSA-N 453.346 6.188 50 10 JKGE C=CCc1cc(C=C(C#N)C(=O)N(C)C)cc(OCC)c1OCc1ccc(Cl)c(Cl)c1 2313568026 NVWTZWYMUMQXEQ-UHFFFAOYSA-N 459.373 5.695 50 10 JKGE Brc1cc(OCc2ccccc2)ccc1[C@H](Br)[C@@H]1OC[C@H]2CCC[C@@H]21 2314502893 MZJGFFYMYLWURQ-YDPGBSGYSA-N 466.213 6.279 50 10 JKGE CNC(=O)C(C#N)=C1S[C@@H](Cc2ccc(Cl)cc2Cl)C(=O)N1c1ccc(C(C)C)cc1 2314593422 MTZDVJAUAKZWFP-FQEVSTJZSA-N 474.413 5.289 50 10 JKGE CCCCCCN1C(=O)C(=Cc2ccc(OCc3ccc(Cl)cc3)c(OC)c2)C(C)=C(C#N)C1=O 2314610878 NQRALFBLUKSGHL-UHFFFAOYSA-N 493.003 6.100 50 10 JKGE CCCCCCOc1ccc(C=C(C#N)C(=O)Nc2ccc(C(=O)OCC(C)C)cc2)cc1OC 2314729121 WYBXYWBTKQBZEK-UHFFFAOYSA-N 478.589 6.013 50 10 JKGE COc1c(Br)cc(C)c([C@H](Cl)[C@H]2C[C@@H](Br)C2)c1Br 2317400084 RUSPGJZJDNYANA-RGNHYFCHSA-N 461.419 5.982 50 10 JKGE C[C@@]12CC3CC(C(=O)NN=Cc4c(O)ccc5cc(Br)ccc45)(C1)C[C@](C)(C3)C2 2318415468 QXFZKYIAQYJZBC-DENWDJDJSA-N 455.396 5.755 50 10 JKGE CC(C)(C)OC(=O)NCCCCCC(=O)NN=Cc1ccccc1OCc1ccc(Cl)cc1 2328835263 YRMZSOBYSQBTIN-UHFFFAOYSA-N 474.001 5.454 50 10 JKGE Cc1ccc(C)c(-c2csc(C(C#N)=C(O)c3ccc4c(c3)C(=O)N(CC(C)C)C4=O)n2)c1 2331319310 DEQDKSGPQNNGES-UHFFFAOYSA-N 457.555 5.629 50 10 JKGE COc1c(Cl)cc(-c2csc(C(C#N)=C(O)Cc3cccc4ccccc34)n2)cc1Cl 2331396843 HNVMTHPZXNIPEB-UHFFFAOYSA-N 467.377 7.314 50 10 JKGE CC(C=C[C@H]1C(C)=CCCC1(C)C)=CC[P+](c1ccccc1)(c1ccccc1)c1ccccc1 2333256567 LLUROCTWOJDHOX-YTTGMZPUSA-N 465.641 7.866 50 10 JKGE Fc1cc(Cl)c(Br)c(Cl)c1[C@@H](Br)c1cc(Cl)sc1Cl 2335289621 MCUPXMMVKQOGJN-QMMMGPOBSA-N 487.830 7.748 50 10 JKGE Fc1c(Br)cc(Cl)c([C@H](Br)[C@@H]2C[C@@H]3CC[C@H]2C3)c1Br 2337089076 UCTGCTHOXATDKF-BSFVXNEUSA-N 475.421 6.876 50 10 JKGE Cc1nc(Br)c([C@H](Br)c2cc3sc(Br)cc3s2)n1C 2337284287 ZIOVRDQZQRFTON-SNVBAGLBSA-N 485.064 6.014 50 10 JKGE Fc1ccc(C(F)F)c([C@H](Br)c2sc(Cl)cc2I)c1 2338561991 GKJMFXCVKMXEOQ-JTQLQIEISA-N 481.502 6.567 50 10 JKGE C[C@@H]1CCC[C@]12[C@@H](Br)C[C@@H]2Oc1cc(Br)cc(Br)c1 2338758753 SUWHKGIHBVXRCK-JUTUQKRISA-N 453.012 5.933 50 10 JKGE COc1ccc(C[C@@H](Br)c2cc(Cl)c(Br)s2)c(Br)c1 2338884115 AXKRYVRTVAGBMK-SNVBAGLBSA-N 489.454 6.614 50 10 JKGE COc1c(Br)cc(C)c([C@@H](Br)CCC(C)(C)C)c1Br 2339690984 MTHDHJODQVFVNL-JTQLQIEISA-N 457.044 6.791 50 10 JKGE CCCc1nc(Br)c(Br)n1CC1(CBr)CC(C)(C)C1 2344984637 UXADQXIYFMSEHI-UHFFFAOYSA-N 457.048 5.562 50 10 JKGE BrCC(CBr)(C[C@H]1C[C@@H]2CC[C@H]1O2)c1ccc(Br)cc1 2355000199 NVEZRFNLNVPPJZ-BYCMXARLSA-N 467.039 5.434 50 10 JKGE Brc1cc(OCc2ccccc2)ccc1[C@H](Br)C12CC3CC(CC(C3)C1)C2 2361199515 AJZMFMZPCODLIZ-HKJGYYKBSA-N 490.279 7.681 50 10 JKGE O=C(c1cc(Br)sc1Br)N1CC[C@@H](Br)C[C@H]1C(F)(F)F 2361465113 VMLVEKUBJLWHNS-VDTYLAMSSA-N 499.972 5.204 50 10 JKGE Fc1c(Br)cc(Cl)c([C@H](Br)[C@H]2CC3CCC2CC3)c1Br 2362229636 LAFHMWIFYWFKOH-UATKWWGBSA-N 489.448 7.266 50 10 JKGE CCC(F)(F)C(C)(C)[C@@H](Cl)c1c(Cl)cc(Br)c(F)c1Br 2362234593 HPVMVABGKDVBGJ-NSHDSACASA-N 456.955 7.356 50 10 JKGE FC1(F)[C@H]2CCC[C@H]1CC([C@H](Br)c1sc(Cl)cc1I)C2 2363877056 KRNGQYOYDFAOAH-AUTRQRHGSA-N 495.598 6.904 50 10 JKGE COc1cc(C)c([C@@H](Cl)c2c(Br)c(Br)nn2C)cc1Br 2364069749 JVGFDOVSRHKCSD-LLVKDONJSA-N 487.417 5.353 50 10 JKGE CCc1ccc([C@@H](Br)c2c(C)cc(Br)c(OC)c2Br)s1 2365188378 KQBZROJILJJLOS-CYBMUJFWSA-N 483.063 6.637 50 10 JKGE Cc1cc(Br)c(F)c(Br)c1[C@H](Br)[C@@H]1C[C@H]2C[C@H]1[C@@H]1C[C@H]21 2365224283 WQJRKTSJJOZDFW-FPNNOBPZSA-N 467.014 6.387 50 10 JKGE Cc1cc(Br)c(F)c(Br)c1[C@@H](Cl)c1nn(C)c(Br)c1C 2365230758 JXUWKZXLFOCHRR-SNVBAGLBSA-N 489.408 5.792 50 10 JKGE Cc1cc(N(C)Cc2c(Br)cccc2Br)ccc1CBr 2366184992 PQXJHJBZBBHZND-UHFFFAOYSA-N 462.023 6.051 50 10 JKGE N#C/C(=C/c1cn(Cc2ccccc2)c2ccccc12)C(=O)Nc1ncc(Cc2ccc(F)cc2)s1 1769634 QUZMETGSZHSSRS-JCMHNJIXSA-N 492.579 6.422 50 10 JKGE CCCCCCOc1ccc(Br)cc1C(=O)NNC(=O)[C@H](C)Oc1ccc(C)c(C)c1 10153196 RMNVJHYQKAVVRG-SFHVURJKSA-N 491.426 5.254 50 10 JKGE CCCCCCOc1ccc(C(=O)NNC(=S)NC(=O)c2ccccc2OCCCCC)cc1 14036269 PUPUMMQVIIWAAO-UHFFFAOYSA-N 485.650 5.164 50 10 JKGE COc1ccc(CCC(=O)Oc2ccc(/C=C(/C#N)c3ccccc3F)cc2OC)cc1OC 31901765 TZQUVPSYVDBJOP-ZHZULCJRSA-N 461.489 5.454 50 10 JKGE C[C@H](Oc1ccc(Cl)cc1Cl)C(=O)Oc1cccc(/C=C(/C#N)c2ccc(Cl)cc2)c1 31903067 BWXPPUAHBGSSBU-GZQZNAIASA-N 472.755 7.084 50 10 JKGE CCCCOc1ccccc1/C=C(/C#N)C(=O)Nc1ncc(Cc2cccc(C(F)(F)F)c2)s1 33683262 AUXODPYSZKCYRN-RGEXLXHISA-N 485.531 6.477 50 10 JKGE Cc1cc(OCC(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@H]3c2ccccc2F)cc(C)c1Cl 38652144 VKNUCCZHJREVSC-DEOSSOPVSA-N 478.907 5.299 50 10 JKGE CC(C)c1ccc(O[C@@H](C)C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@@H]3c2ccc(F)cc2)cc1 38653139 PDRSPIXZMBUNLQ-MRDQGFSESA-N 472.516 5.540 50 10 JKGE N#CC1=C(N)Oc2cc(OC(=O)c3ccc(Cl)cc3)ccc2[C@H]1c1c(F)cccc1Cl 38680182 OARTWZRREDEHIQ-HXUWFJFHSA-N 455.272 5.570 50 10 JKGE COc1c(Cl)cc(C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@@H]3c2cccs2)cc1Cl 38688399 XMRHUCIJJCBCMI-LJQANCHMSA-N 473.337 5.501 50 10 JKGE CC(C)(C)CC(C)(C)c1ccc(OCC(=O)N/N=C/c2cccc(OCc3ccccc3)c2)cc1 40846955 VQNGDIFDGINOMC-ZCTHSVRISA-N 472.629 6.509 50 10 JKGE COc1ccc(/C=N/NC(=O)c2ccc(OCc3ccc(Cl)cc3Cl)cc2)c(OC)c1OC 48573749 VSJTXYACKMVBFI-UVHMKAGCSA-N 489.355 5.362 50 10 JKGE CCc1ccc(NC(=O)/C(C#N)=C/c2ccc(OCc3ccc(Cl)cc3Cl)c(OC)c2)cc1 59433634 FQBQEFQZQATFFH-UDWIEESQSA-N 481.379 6.689 50 10 JKGE Cc1ccc(-c2ccccc2)n1-c1ccc(C(=O)N/N=C/c2ccccc2OCc2ccccc2)cc1 59679867 DAASKJWRVCAOBR-STKMKYKTSA-N 485.587 6.796 50 10 JKGE 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 71404452 YLQIANWVVVMWMO-SOUXSAALSA-N 482.661 6.123 50 10 JKGE Fc1cc(Br)ccc1C[C@@H](CBr)Cc1ccc(Br)cc1 97183303 VBKWUPPBJYWHOI-LBPRGKRZSA-N 464.998 6.147 50 10 JKGE CCCCCCN1C(=O)C(C#N)=C(C)/C(=C\c2cn(-c3ccccc3)nc2-c2ccc(OC)cc2)C1=O 101333476 FZBWRQNNWWMCGB-NLRVBDNBSA-N 494.595 5.720 50 10 JKGE O=C(Nc1cccc(Oc2ccc3c(c2)C(=O)OC3=O)c1)c1ccc(Oc2ccc([N+](=O)[O-])cc2)cc1 105439540 DUOUWVCAYXTRNM-UHFFFAOYSA-N 496.431 5.742 50 10 JKGE Cc1cc(Br)cc([C@@H](Br)c2cc(Br)cc3c2OCC3)c1 132032838 VMZXWWRSIOQURV-OAHLLOKOSA-N 460.991 5.939 50 10 JKGE CC[C@@H]1CCC[C@H](O[C@@](C)(CI)c2ccccc2Br)C1 162383411 NXAIQKLSUHQCFK-KEYYUXOJSA-N 451.186 6.085 50 10 JKGE CCOc1cc(CBr)cc(Br)c1OCc1ccc(Br)cn1 167176242 ZWNJBARJBWAAAT-UHFFFAOYSA-N 479.994 5.479 50 10 JKGE CC(C)(C)[Si](O[C@@H]1CC=C(Br)c2ccccc21)(c1ccccc1)c1ccccc1 196077059 AGYXOUTVPUMJIF-RUZDIDTESA-N 463.491 6.444 50 10 JKGE CC(=O)N(c1ccc(C)c(C)c1)c1nc(/C=C(\C#N)c2nnc(-c3ccccc3)n2C)cs1 210592917 BUUYNOSSGFIGBZ-DEDYPNTBSA-N 454.559 5.304 50 10 JKGE CCCCOc1cccc(-c2nn(-c3ccccc3)cc2/C=C2\C(=O)N(CC)C(=O)C(C#N)=C2C)c1 214211516 IZSQPSIWPDDMDG-UQQQWYQISA-N 480.568 5.330 50 10 JKGE COc1ccc([C@@H](C)NC(=O)/C(C#N)=C\Nc2cc(C(F)(F)F)cc(C(F)(F)F)c2)cc1 217180807 KZWAATQCUPBFLT-POKNLVKOSA-N 457.374 5.430 50 10 JKGE CCN(CC)c1ccc(N/C=C(/C#N)C(=O)Nc2ccccc2Sc2ccccc2)c(C)c1 217243918 MTMQJUOILAMPNJ-VZCXRCSSSA-N 456.615 6.451 50 10 JKGE COc1cc(Br)c(Oc2cccc(Cl)c2CBr)cc1Br 218337260 CYQKHYOHZIMQSA-UHFFFAOYSA-N 485.397 6.561 50 10 JKGE Brc1cc2c(cc1[C@H](Br)c1ccoc1Br)OCCCO2 232483937 ZNXGFGGFCVZIDB-CYBMUJFWSA-N 466.951 5.450 50 10 JKGE CC(C)(C)C[C@H](Br)CNC(=O)c1ccc(Br)cc1Br 232499204 XOUMUQNRRMHGFW-JTQLQIEISA-N 456.016 5.141 50 10 JKGE CCC1CCC(Oc2c(Br)cc(CBr)cc2Br)CC1 232895548 VKTMCBXRVYSNIV-UHFFFAOYSA-N 455.028 6.454 50 10 JKGE C[C@H]1C[C@@H](Oc2c(Br)cc(CBr)cc2Br)CC[C@H]1C 235343128 YUUROVYHVWOBPX-SCVCMEIPSA-N 455.028 6.310 50 10 JKGE Brc1ccc(Br)c([C@H](Br)[C@@H]2[C@H]3CCc4ccccc4[C@H]32)c1 250845756 IJGWUIDSAHQXLJ-LIRZEXBASA-N 471.030 6.624 50 10 JKGE Cc1ccc(-c2nnc(SCC(=O)NN=Cc3ccccc3C(F)(F)F)n2-c2ccccc2)cc1 252600429 DRELIZPREIPCCI-UHFFFAOYSA-N 495.530 5.504 50 10 JKGE Cc1cc(OCC(=O)NN=C2C=C(C(C)(C)C)C=C(C(C)(C)C)C2=O)c(C(C)C)cc1Cl 252620433 MECFXWSITITNCE-UHFFFAOYSA-N 459.030 6.151 50 10 JKGE COc1ccc(C=NNC(=O)CSc2nc3ccccc3s2)cc1OCc1ccc(Cl)cc1 252622355 NTNIMOVFCXHNAZ-UHFFFAOYSA-N 498.029 5.780 50 10 JKGE C[C@H](SCc1ccccc1)C(=O)NN=Cc1ccc(OCc2cccc3ccccc23)cc1 254766684 PBFUWMOOMSXXJD-NRFANRHFSA-N 454.595 6.191 50 10 JKGE Cl[C@H](c1cc(Br)ccc1Br)c1cc2c(cc1Br)OCC2 308436257 NZCTXDVIUBOBQA-HNNXBMFYSA-N 481.409 6.237 50 10 JKGE Fc1cccc(-n2c(CCl)nc3ccc(Br)cc32)c1I 312342628 DECXBPLSEFRBFS-UHFFFAOYSA-N 465.491 5.271 50 10 JKGE Clc1ccccc1C(CBr)(CBr)Cc1coc(Br)c1 380913572 QCCJJMHXJUPBEL-UHFFFAOYSA-N 471.414 5.966 50 10 JKGE O=C(OCc1ccccc1)N1C[C@H](c2ccc(Cl)cc2Br)[C@@H](CBr)C1 382687589 GSVZKVFDCFJZSA-YOEHRIQHSA-N 487.619 5.850 50 10 JKGE Clc1ccc(Br)c(COc2c(Br)cccc2CBr)c1 389143175 VRUSZCPOUFHHCY-UHFFFAOYSA-N 469.398 6.339 50 10 JKGE C[C@@H](Cl)c1nc2cc(I)c(F)cc2n1Cc1ccn(Cc2ccccc2)n1 389615020 UIIJHRBSCICMKM-CYBMUJFWSA-N 494.739 5.373 50 10 JKGE Cc1cc2c(cc1F)nc([C@@H](C)Cl)n2CCCN(Cc1ccccc1)Cc1ccccc1 390525665 IVQFUVICDWIADB-OAQYLSRUSA-N 450.001 6.876 50 10 JKGE CC(C)(C)[Si](C)(C)OCCc1cccc(C2CCN(S(=O)(=O)c3ccccc3)CC2)c1 616620722 RLECARIZFBFSFJ-UHFFFAOYSA-N 459.728 5.819 50 10 JKGE O=C(NC1(CCBr)CCCCC1)c1scc(Br)c1Br 687329026 ODEYYJSEBKZOIV-UHFFFAOYSA-N 474.056 5.491 50 10 JKGE Cc1cc(I)cc(-n2c(CCl)nc3cccc(Br)c32)c1 700191016 JGJVQCAHJZTSTR-UHFFFAOYSA-N 461.528 5.440 50 10 JKGE CC(C)(C)[C@H](CCBr)NC(=O)c1scc(Br)c1Br 705410883 VANKTSIHSWGROA-QMMMGPOBSA-N 462.045 5.203 50 10 JKGE CC[C@@H](C[C@H](Br)c1cc(I)cc2c1OCC2)C(C)(C)C 711141243 GZVZYGQIRXNXGT-WFASDCNBSA-N 451.186 6.125 50 10 JKGE Cc1sc(C)c([C@H](Cl)c2cc(I)ccc2Br)c1C 722473591 AVEUFFXPKOAPBD-CQSZACIVSA-N 455.586 6.369 50 10 JKGE Cc1cc(/C=C(/C#N)C(=O)Nc2cccc(Cl)c2Cl)c(C)n1-c1ccc([N+](=O)[O-])cc1 1084245693 MPNIGDSQAYQIOH-WJDWOHSUSA-N 455.301 5.855 50 10 JKGE COc1cc2ccccc2cc1C(=O)NN=C1C(=O)N(Cc2ccccc2Cl)c2ccccc21 1084334504 SOBABVNUVLKFHE-UHFFFAOYSA-N 469.928 5.183 50 10 JKGE Cc1cccc(COc2ccc(Br)cc2/C=C(/C#N)C(=O)Nc2ccc(Cl)cc2)c1 1084450196 RVUXEADTWPBYRI-UNOMPAQXSA-N 481.777 6.536 50 10 JKGE FC(F)(F)c1ccc(Cl)c([C@H]2CN(Cc3ccccc3)C[C@@H]2CI)c1 1614630455 WGKKCKHPBTZJGD-YOEHRIQHSA-N 479.711 6.009 50 10 JKGE Cc1c(C(=O)Nc2ccc(Cl)cc2)oc2c1C(=NNC(=O)c1ccccc1Cl)CCC2 1772743661 FUQYWDRBGFTWAC-UHFFFAOYSA-N 456.329 5.618 50 10 JKGE N#CC1=C(N)Oc2c(c(-c3ccccc3)nn2Cc2ccccc2)[C@H]1c1c(Cl)cccc1Cl 1865685780 NEONULDPTDAICZ-OAQYLSRUSA-N 473.363 6.123 50 10 JKGE CCCOc1ccc([C@H]2C(C#N)=C(N)Oc3c2c(-c2ccccc2)nn3-c2ccccn2)cc1OCC 1865691241 NOUGGLASTZYINH-VWLOTQADSA-N 493.567 5.340 50 10 JKGE CCCOc1ccc([C@H]2C(C#N)=C(N)Oc3c2c(CCC)nn3Cc2ccc(Cl)cc2)cc1 1865693986 NQMAIQVMSJJMJL-QHCPKHFHSA-N 462.981 5.544 50 10 JKGE CCCc1nn(Cc2c(F)cccc2Cl)c2c1[C@@H](c1cccc(OC)c1OCC)C(C#N)=C(N)O2 1865694627 ZYMOUPATHQPIDF-QFIPXVFZSA-N 496.970 5.302 50 10 JKGE Cc1nc(-c2ccc(Cl)c(Cl)c2)ccc1C(=O)N/N=C\c1c(Cl)nc2scc(C)n12 1865762732 ZHJZQKXZVLYJLA-GYRAYZOKSA-N 478.792 5.799 50 10 JKGE CC[C@](C)(NC(=O)C[C@@H](c1ccc(C(C)C)cc1)C(C)C)C(=O)Nc1ccc(SC#N)cc1 1866744188 FZXKELWBFQHWRG-SQHAQQRYSA-N 465.663 6.436 50 10 JKGE CSCC[C@@H](NC(=O)C[C@H](c1ccc(C)cc1)C(C)C)C(=O)Nc1ccc(SC#N)cc1 1866747361 YFSKVNCNMSDIMB-XZOQPEGZSA-N 469.676 5.575 50 10 JKGE C[C@H]1Cc2ccccc2N(c2cc(Nc3ccc(SC#N)cc3)nc(Cc3ccccc3)n2)C1 1868207186 JANMJVOHZGPTMR-FQEVSTJZSA-N 463.610 6.714 50 10 JKGE C[C@H]1CN(c2cc(Nc3ccc(SC#N)cc3)nc(-c3cccnc3)n2)C[C@@H](C)N1c1ccccc1 1868566180 VWLOHYPEIOHXES-OYRHEFFESA-N 493.640 5.959 50 10 JKGE CC(C)OC(=O)c1ccc(/C(C#N)=C/c2c(OCc3ccc(F)cc3)ccc3ccccc23)o1 1872728501 GDABRVVENPMFFR-RCCKNPSSSA-N 455.485 6.780 50 10 JKGE CCCCc1ccc(-c2csc(/C(C#N)=C(O)/C=C/c3ccc(Cl)cc3Cl)n2)cc1 1872744688 DCMABOSAWXNIFM-HCMNMGEDSA-N 455.410 7.966 50 10 JKGE CCc1cccc(C)c1N1C[C@H](/C(O)=C(\C#N)c2nc(-c3ccc(OC)cc3)cs2)CC1=O 1872746017 NXRZAFCQMOXDII-FPOCJBQTSA-N 459.571 5.535 50 10 JKGE COc1ccc(-c2csc(/C(C#N)=C(\O)c3ccccc3I)n2)cc1C 1872746578 OGOKRCHWFFPJDW-CYVLTUHYSA-N 474.323 5.682 50 10 JKGE N#C/C(=C(/O)c1cccc(Br)c1)c1nc(-c2ccc(Br)cc2)cs1 1872746828 ZZWHPKKJSPJCFE-ICFOKQHNSA-N 462.166 6.285 50 10 JKGE COc1c(C)cc(C)cc1-c1csc(/C(C#N)=C(\O)CCc2nc3ccccc3[nH]c2=O)n1 1872754932 QINAHLAVQRHRBU-XLNRJJMWSA-N 458.543 5.098 50 10 JKGE CCc1ccc(-c2csc(/C(C#N)=C/c3ccccc3OCc3ccc(Cl)cc3)n2)cc1 1872781582 KMUPZJGVUUNHOK-HZHRSRAPSA-N 456.998 7.669 50 10 JKGE CCCOc1ccc(-c2csc(/C(C#N)=C/c3ccccc3OCc3ccccc3Cl)n2)cc1 1872790799 FYVFSTMQSMZTEV-XQNSMLJCSA-N 487.024 7.895 50 10 JKGE O=C(N/N=C/c1ccc(OCc2cccc(Cl)c2)cc1)c1ccc2[nH]c3c(c2c1)CCCC3 1873498491 QBWFVVKIBOZRCC-MUFRIFMGSA-N 457.961 6.043 50 10 JKGE CCCCCCCCCOc1ccc(/C=N/NC(=O)[C@H](C)NC(=O)OC(C)(C)C)cc1OC 1873794353 FLGQQTYLWCJBSU-FIKCODCVSA-N 463.619 5.188 50 10 JKGE C[C@H](CCl)N(Cc1ccccc1)Cc1ccc(I)c(Br)c1 1893241444 JZKQTIYMTCJLPE-CYBMUJFWSA-N 478.599 5.683 50 10 JKGE Cl[C@@H](c1ccc(OCc2ccccc2)cc1Br)c1cscc1OCc1ccccc1 1899849117 JDDWUPPYYHNAMJ-VWLOTQADSA-N 499.857 7.997 50 10 JKGE Cl[C@@H](c1cc(Br)ccc1OCc1ccccc1)c1nscc1Br 1899866704 XTGZYTMMRXHHSW-INIZCTEOSA-N 473.617 6.575 50 10 JKGE Clc1cc(I)c([C@@H](Cl)c2ccc(OCc3ccccc3)cc2)s1 1901026881 UMCMHWGJGFUNDH-KRWDZBQOSA-N 475.178 6.913 50 10 JKGE C[C@@H](CCBr)N(Cc1ccccc1)c1ncc(Br)cc1Br 1915069532 LMIZZJNXCRCKPF-LBPRGKRZSA-N 477.038 5.787 50 10 JKGE CC[C@@H](Cl)CN(Cc1ccccc1)C(=O)c1cc(Br)cc(Br)c1 1915114987 SLHFWIHLSWRXNT-QGZVFWFLSA-N 459.609 5.871 50 10 JKGE Clc1ccc(C[C@@H](Br)c2cc(Br)cc(Br)c2)nc1 1918237896 AOFUOGSVXCRTPZ-CYBMUJFWSA-N 454.387 5.939 50 10 JKGE Cl[C@@H](C[C@@H]1C[C@H]2CC[C@H]1C2)c1c(Br)sc(Br)c1Br 1924592529 ZVLXZKJAIULGFI-JBDRJPRFSA-N 477.487 7.142 50 10 JKGE Cc1ccc(Cl)c([C@@H](Br)c2c(Br)sc(Br)c2Cl)c1 1925502837 SHKFECVYKLYMDY-SECBINFHSA-N 493.873 7.373 50 10 JKGE Cc1sc(Br)cc1[C@@H](Cl)c1c(Cl)sc(Br)c1Cl 1925546527 PLYTUBFCJCIVNT-SSDOTTSWSA-N 455.451 7.278 50 10 JKGE FC1(F)[C@@H]2CC[C@H]([C@H](Br)c3c(Cl)sc(Br)c3Cl)C[C@H]21 1925547753 WJABYZUHEUMXPP-FJDLHZNMSA-N 454.989 6.935 50 10 JKGE Cn1nc([C@@H](Br)c2c(Cl)sc(Br)c2Cl)c(Cl)c1Cl 1925552798 GJYWDFJCBZNYJU-VKHMYHEASA-N 473.832 6.342 50 10 JKGE C[C@@H]1COc2ccc([C@H](Br)c3cc(Cl)ccc3I)cc21 1925756907 PXJDCSVTXRUIKR-ABKXIKBNSA-N 463.540 5.925 50 10 JKGE Brc1cccc(CNCCCCCCI)c1Br 1943885630 RNNYOJXZUVZUBV-UHFFFAOYSA-N 475.006 5.297 50 10 JKGE CN(Cc1cccc(Br)c1Cl)C[C@@H](Br)COCc1ccccc1 1979517281 HREIGQCFOROCSB-MRXNPFEDSA-N 461.625 5.515 50 10 JKGE CC1(C)CC2(CC([C@@H](Br)c3cc(Br)sc3Br)C2)C1 2039422878 WBQVDXZWYZOBLR-LLVKDONJSA-N 457.069 6.926 50 10 JKGE Cl[C@H](c1c(Br)sc(Br)c1Br)[C@@H]1[C@H]2CCCCC[C@H]21 2048341140 YXALOONRNQXYQN-RFOGZPIASA-N 477.487 7.142 50 10 JKGE Fc1cc(Br)cc(Oc2cccc(I)c2)c1CBr 2051131942 SOPBJTCVUZUISI-UHFFFAOYSA-N 485.916 5.880 50 10 JKGE COCc1cccc([C@@H](Br)c2cc(Br)sc2Br)c1 2071272158 XBINLFQTPFOWQP-GFCCVEGCSA-N 455.009 5.904 50 10 JKGE FCC12CC([C@H](Br)c3c(Br)sc(Br)c3Cl)(CO1)C2 2082583523 CDBRGMHGSJFQRS-CAZGOSDBSA-N 483.422 5.881 50 10 JKGE Cc1csc([C@@H](Cl)c2ccc(Br)c(C)c2Br)c1Br 2083311613 KQRZAILHHCIZEK-LBPRGKRZSA-N 473.455 6.981 50 10 JKGE Cc1c(Br)ccc([C@@H](Br)c2cc(Cl)n(C)n2)c1Br 2083334198 QWUSVUJWRDSMTL-GFCCVEGCSA-N 457.391 5.391 50 10 JKGE CS(=O)(=O)c1csc([C@@H](Br)c2ccc(Br)cc2Br)c1 2093073483 BYYJYVLGBZPBKV-LBPRGKRZSA-N 489.048 5.161 50 10 JKGE CS(=O)(=O)c1csc([C@H](Br)c2c(Br)cccc2Br)c1 2094100396 QSBIVTYUTDLWPS-LBPRGKRZSA-N 489.048 5.161 50 10 JKGE Clc1ccc(I)c(CN2[C@H](CBr)C[C@H]3CCC[C@@H]32)c1 2108400423 WPMBTRUYIQMNMB-DGFSRKRXSA-N 454.577 5.083 50 10 JKGE ClCCc1nc2cc(Cl)c(Br)cc2n1-c1cnn(Cc2ccccc2)c1 2112701401 JJKDIACBLUVPTR-UHFFFAOYSA-N 450.167 5.468 50 10 JKGE Clc1cc(Br)cc(CC[C@H](Br)c2ccc(Br)cc2)c1 2113480721 GVPUTDXEIWSYSK-HNNXBMFYSA-N 467.426 6.934 50 10 JKGE Cc1cc(C)c([C@H](Br)c2cc(Br)c(Cl)s2)c(C)c1Br 2115941959 GGOSFPBUZLJXRE-CYBMUJFWSA-N 487.482 7.336 50 10 JKGE Brc1ccc(Br)c(C[C@@H]2C[C@@H]3CCCC[C@H]3[C@@H]2Br)c1 2118525917 ZHVNJLDRLDAQFT-PNEXNCLXSA-N 451.040 6.344 50 10 JKGE CC(C)(C)[C@H]1[C@H](Br)CCN1Cc1cc(Cl)ccc1I 2128668343 IFEWXLPQTHWROF-TZMCWYRMSA-N 456.593 5.329 50 10 JKGE Cc1cc(Br)c(C)c([C@H](Br)[C@H]2OCCO[C@H]2C)c1Br 2136370621 OZVCFUKUSIPFCB-HERUPUMHSA-N 457.000 5.068 50 10 JKGE Cc1cc(Br)c(C)c([C@H](Br)[C@H]2[C@H]3OCCC[C@@H]32)c1Br 2136377086 LRGGISSSCNVKIF-JYBASQMISA-N 453.012 5.689 50 10 JKGE Cc1c(Br)ccc([C@@H](Br)[C@H]2C[C@@H]3CC[C@H](C2)O3)c1Br 2138849344 DOTSIJUCKXBEPA-ZVXAKGHKSA-N 453.012 5.914 50 10 JKGE Cc1c(Br)ccc([C@H](Br)C[C@@H]2CCC[C@@H]3C[C@@H]23)c1Br 2138852031 MFUKLLSXEWCDHY-NDPMZMCLSA-N 451.040 6.782 50 10 JKGE Cc1nscc1CC(CBr)(CBr)c1ccccc1Br 2140874240 CTUAGSYDJMLSDU-UHFFFAOYSA-N 468.052 5.484 50 10 JKGE Cc1c(Br)cccc1C[C@H](CBr)Cc1ccc(Br)cc1 2143690343 AWKWCEMSKAPWER-CQSZACIVSA-N 461.035 6.316 50 10 JKGE COc1cc(Br)c(C)cc1[C@@H](Br)c1ccc(Br)cc1F 2145961528 JARNNXVCHDFKPS-HNNXBMFYSA-N 466.970 6.152 50 10 JKGE O=C(c1cc(Br)cc(Br)c1)N1[C@H]2CCC[C@@H](Br)[C@H]1CC2 2154106028 LNIISZKYWXDTBD-BFHYXJOUSA-N 466.011 5.132 50 10 JKGE C[C@H](Cl)c1nc2cc(Br)c(Cl)cc2n1[C@@H]1CCCN(Cc2ccccc2)C1 2160079301 BFMWXNGFBXRQGS-GOEBONIOSA-N 467.238 6.589 50 10 JKGE CN(C(=O)c1csc(Br)c1Br)C1(CBr)CC2(CCC2)C1 2164585474 ZYBCPUNYBFVFFX-UHFFFAOYSA-N 486.067 5.443 50 10 JKGE CCOc1ccc(Br)cc1[C@H](Br)c1nn(C)c(Cl)c1Br 2167050396 KRZZJSIFXHIXIQ-JTQLQIEISA-N 487.417 5.482 50 10 JKGE Cc1nn(C)c(Br)c1C[C@H](CBr)Cc1ccccc1Br 2185799534 VHADUALKQDTFSL-LLVKDONJSA-N 465.027 5.050 50 10 JKGE Cc1cc(Br)c(C)c([C@@H](Br)[C@]2(C)CCCC2(F)F)c1Br 2201080400 XXRAJVLOKKQMIG-KGLIPLIRSA-N 475.009 7.090 50 10 JKGE Cc1ccc(C[C@H](CBr)Cc2ccc(I)c(Cl)c2)cc1 2208042005 BAEGMWOMMJSBFQ-HNNXBMFYSA-N 463.584 6.049 50 10 JKGE Cc1c(Br)sc([C@@H](Br)c2ccc(Br)c(F)c2)c1C 2218789602 ISAGBMWMFXHCEG-NSHDSACASA-N 457.000 6.513 50 10 JKGE Cc1cc(Br)c([C@H](Br)c2cc(Br)n(C)n2)c(C)c1Cl 2224306924 IWROOKSFKPGYSE-GFCCVEGCSA-N 471.418 5.700 50 10 JKGE CCCC[C@H](C)CC[C@@H](Br)c1c(Br)cc(Cl)c(Cl)c1Cl 2232518154 ABPMLKZESCTRAO-VHSXEESVSA-N 465.484 8.452 50 10 JKGE C[C@]1([C@H](Br)c2c(Br)cc(Cl)c(Cl)c2Cl)C[C@@H]1C(F)(F)F 2232525654 DNNLIRQVNSPFFJ-FZYJTZEISA-N 475.357 7.434 50 10 JKGE BrCc1cc(Br)c(OC[C@@H]2OC[C@H]3CCC[C@H]32)c(Br)c1 2233362305 UBWMTWMZYSTFLP-GYSYKLTISA-N 469.011 5.300 50 10 JKGE Fc1cc(Br)c(Br)cc1[C@@H](Br)C1C[C@H]2CCC[C@H](C1)C2 2233981244 FYCIBIRXPWRNOY-PUTJDCORSA-N 469.030 7.003 50 10 JKGE CC1(COc2c(Br)cc(Br)cc2CBr)CC2(CCC2)C1 2236538435 CPUBDKRBNFUPAF-UHFFFAOYSA-N 467.039 6.456 50 10 JKGE Fc1cc(Br)c(Br)cc1[C@H](Br)[C@@H]1OCC[C@@H]1C(F)(F)F 2240516900 VOKICCNRIQIVAX-NRZXQICZSA-N 484.907 5.754 50 10 JKGE Brc1cc2sc([C@@H](Br)c3sncc3Br)cc2s1 2252866683 LPKPAZHYHPIIMA-SECBINFHSA-N 474.062 6.429 50 10 JKGE Cc1cc(Cl)c(Cl)cc1[C@@H](Br)c1ccc(I)cc1 2253414534 PLUUSOODMHHPDJ-AWEZNQCLSA-N 455.948 6.391 50 10 JKGE Cc1nsc(Br)c1[C@H](Br)c1cc2sc(Br)cc2s1 2263558313 FFCVITAUBGJIMO-SNVBAGLBSA-N 488.089 6.737 50 10 JKGE CC1(C)CC(C[C@@H](Br)c2c(F)cc(Br)c(F)c2Br)C1 2272721261 FYASDNPAUFHSHS-MRVPVSSYSA-N 460.982 6.752 50 10 JKGE FC1(F)[C@@H]2CC([C@H](Br)Cc3cc(Br)cc(Br)c3)C[C@H]21 2277966775 VTSGUPXWWPOKHX-JHJVBQTASA-N 458.966 5.809 50 10 JKGE Cc1cc(Br)c([C@H](Br)C[C@@H]2CCCC23CC3)c(C)c1Br 2281374710 ZKTMHHSBIYDPJC-GXTWGEPZSA-N 465.067 7.235 50 10 JKGE CCCCCc1ccc([C@H](Br)c2c(F)cccc2I)s1 2282903932 LPORYQPLXZGUCU-INIZCTEOSA-N 467.185 6.709 50 10 JKGE C=CC[C@]1(CBr)CCN(C(=O)c2c(Br)cccc2Br)C1 2287755613 YSPZRPBUMFPZAI-OAHLLOKOSA-N 466.011 5.015 50 10 JKGE COc1cc(C=C(C#N)c2nc3ccccc3[nH]2)ccc1OCc1ccc(Cl)cc1Cl 2294732701 CGRFVIPOKOBLND-UHFFFAOYSA-N 450.325 6.521 50 10 JKGE N#CC(=Cc1ccc(-c2ccc([N+](=O)[O-])cc2)o1)C(=O)Nc1ccc([N+](=O)[O-])cc1Br 2297123820 OIOXUTHCIKJSDZ-UHFFFAOYSA-N 483.234 5.071 50 10 JKGE Brc1cc(OCc2ccccc2)ccc1[C@@H](Br)[C@H]1CC2(CC2)CO1 2299490081 VQPVZMOOGNXJIE-RTBURBONSA-N 452.186 6.033 50 10 JKGE Cc1csc([C@@H](Cl)c2cc(Br)ccc2OCc2ccccc2)c1Br 2299524896 IPJVECMTXKYKRQ-SFHVURJKSA-N 486.656 7.489 50 10 JKGE Cc1cc(Cl)cc([C@H](Br)c2sc(Cl)cc2I)c1 2300954568 ZPPJLXVPBNWQFC-NSHDSACASA-N 461.977 6.452 50 10 JKGE O=C(N[C@@H](CCBr)COCc1ccccc1)c1cc(Cl)ccc1Br 2303544647 GQLGEBICGPPKAP-HNNXBMFYSA-N 475.608 5.203 50 10 JKGE CCOc1c(Br)cc(C=C(C#N)C(=O)Nc2cccc(C(F)(F)F)c2)cc1OC 2313676745 ZHNYKBPFPAYLFY-UHFFFAOYSA-N 469.257 5.421 50 10 JKGE CCc1ccccc1NC(=O)C(C#N)=Cc1cc(Br)ccc1OCc1ccc(Cl)cc1 2313724672 RZDQOKYWZDPWCH-UHFFFAOYSA-N 495.804 6.790 50 10 JKGE CCOc1cc(C=C(C#N)C(=O)NCc2ccco2)ccc1OC(=O)Nc1ccc(Cl)cc1 2314755156 WHXFYCUFVUGFBF-UHFFFAOYSA-N 465.893 5.166 50 10 JKGE CC(C)(C1CC1)[C@@H](Br)c1c(Cl)cc(Br)c(F)c1Br 2315439476 FSSNTJGXTFOCGL-LBPRGKRZSA-N 463.410 6.876 50 10 JKGE CC(C)(C)[C@@H](C[C@H](Br)c1sc(Cl)cc1I)C(F)F 2316601079 ORBQWQWNHSQVKX-BQBZGAKWSA-N 471.576 6.760 50 10 JKGE CCOc1cc(C=C(C#N)c2nc3ccccc3[nH]2)ccc1OCc1c(Cl)cccc1Cl 2331021255 AMXSMNMNONFWHI-UHFFFAOYSA-N 464.352 6.912 50 10 JKGE COc1cc(C=C(C#N)c2nc(O)c3ccccc3n2)ccc1OC(=O)c1ccc(Cl)cc1Cl 2331029871 AYARELQCJPZLMP-UHFFFAOYSA-N 492.318 5.934 50 10 JKGE CCc1ccc(OCCCC(O)=C(C#N)c2nc(-c3ccc(C)cc3C)cs2)c(Br)c1 2331310743 DBCRPUAJXBKCCH-UHFFFAOYSA-N 497.458 7.404 50 10 JKGE COC(=O)c1ccc(C=CC(O)=C(C#N)c2nc(-c3cc(Cl)cc(C)c3OC)cs2)cc1 2331392307 OZXHYCVLVWJHTO-UHFFFAOYSA-N 466.946 6.073 50 10 JKGE CCOc1ccc(C=CC(O)=C(C#N)c2nc(-c3ccc(OC)c(Cl)c3)cs2)cc1OC 2331398348 KHQNATZGEKESGJ-UHFFFAOYSA-N 468.962 6.385 50 10 JKGE N#CC(=C(O)[C@H]1CC(=O)N(Cc2ccccc2)C1)c1nc(-c2cc(Cl)ccc2Cl)cs1 2331404685 XCMVTQKYIXLMOX-HNNXBMFYSA-N 470.381 5.958 50 10 JKGE COc1c(Br)cc(C)c([C@H](Br)[C@H](F)C(F)(F)F)c1Br 2339655111 CODCFCVGRMOBMO-WPRPVWTQSA-N 472.896 5.865 50 10 JKGE C[C@H](Br)CN(C(=O)c1cc(Br)sc1Br)C1CCCC1 2342931456 SQXGSWREMPRYMG-QMMMGPOBSA-N 474.056 5.441 50 10 JKGE ClC[C@@]1(Cc2ccc(I)c(Br)c2)CCO[C@@H]1C1CC1 2349841893 LLVDNHFTKHMRQJ-CABCVRRESA-N 455.561 5.020 50 10 JKGE Cc1ccc([C@@H](Cl)c2c(F)cc(Cl)c(Br)c2Cl)c(Br)c1 2360403045 WQEURJSELPJDNT-CYBMUJFWSA-N 461.383 7.294 50 10 JKGE BrC[C@]1(Cc2cc(Br)ccc2Br)C[C@H]2C=C[C@H]1CCC2 2363960828 AERLLCVUPLNOEB-SUYBPPKGSA-N 463.051 6.512 50 10 JKGE Cc1cc(Br)c(F)c(Br)c1[C@H](Br)C1(S(C)(=O)=O)CCC1 2365222733 GMQIUBXWRKDNHT-LBPRGKRZSA-N 493.030 5.062 50 10 JKGE COc1c(Br)cc(C)c([C@H](Br)[C@@H]2CC[C@@H]3C[C@H]3C2)c1Br 2365235028 KMAXLZNMOGEHJZ-NJBDSQKTSA-N 467.039 6.401 50 10 JKGE CCOc1ccc([C@@H](Br)c2ccc(Cl)cc2I)c(F)c1 2367474797 QRUCMRFIABRNSS-OAHLLOKOSA-N 469.519 5.967 50 10 JKGE Cc1scc([C@@H](Br)c2ccc(Br)c3ccccc23)c1Br 2369587467 PVULTTNYKKYVSM-INIZCTEOSA-N 475.043 7.219 50 10 JKGE Clc1cc([C@@H](Br)c2cc3c(cc2Br)OCCC3)c(Cl)s1 2369640104 LTMPQLZTCSPYJC-ZDUSSCGKSA-N 457.014 6.627 50 10 JKGE Cc1cc(Cl)c([C@H](Cl)c2cc(Br)c(Br)cc2F)c(Cl)c1 2381320469 WLGTWOIWLMDTRB-CQSZACIVSA-N 461.383 7.294 50 10 JKGE CCCC/C(C)=N/NC(=O)COc1ccc2cc(Br)ccc2c1Br 12491475 MCPVYNGPZNKSNB-CIAFOILYSA-N 456.178 5.426 50 10 JKGE CC(C)(C)c1ccc(C(=O)Nc2ccc(C(=O)N/N=C/c3c4ccccc4cc4ccccc34)cc2)cc1 12491867 OIEHHXLAYDRHNI-KEIPNQJHSA-N 499.614 7.307 50 10 JKGE CCCCCCOc1ccc(C(=O)NNC(=O)COc2ccc(C(C)C)cc2)cc1Br 14640648 NSMXLPHRCZGGKB-UHFFFAOYSA-N 491.426 5.372 50 10 JKGE C[C@H]1Oc2ccccc2C=C1/C=C(/C#N)c1nc(-c2ccccc2)c(NC(=O)c2cccs2)s1 34982871 LUOSCJMMDVJFNG-VKZJTJHYSA-N 481.602 6.895 50 10 JKGE C=CCOc1ccc(-c2nn(-c3ccccc3)cc2/C=C2/C(=O)N(C(C)C)C(=O)C(C#N)=C2C)cc1C 38604296 XNUFICANHKESDK-PCLIKHOPSA-N 492.579 5.413 50 10 JKGE CCCCOc1cccc(C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@H]3c2cccc(OC)c2)c1 38650220 LCGRTLFDZQOQKZ-SANMLTNESA-N 470.525 5.311 50 10 JKGE CCc1ccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4oc5c(C)c(C)ccc5c4C)ccc32)cc1 38700460 GRPJJENMVDSTJO-SANMLTNESA-N 478.548 6.358 50 10 JKGE C=CCOc1cccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4oc5ccc(C)cc5c4C)ccc32)c1 38701112 MJPYHOYDUIPKFS-MHZLTWQESA-N 492.531 6.052 50 10 JKGE Cc1cc(C)cc(OC(=O)c2oc3c(c2C)/C(=N/NC(=O)c2cccc(Cl)c2)CCC3)c1 40813283 VIRMZKLYMFSEHM-NHFJDJAPSA-N 450.922 5.548 50 10 JKGE CCCCNC(=O)/C(C#N)=C/c1ccc(OC(=O)COc2ccc(C(C)C)cc2Br)cc1 40992952 BTICZDHTLMKPRN-DEDYPNTBSA-N 499.405 5.380 50 10 JKGE Cc1nn(Cc2ccccc2Cl)c(C)c1/C=N/NC(=O)COc1ccc(C2CCCCC2)cc1 59147781 CCZPOHHKHGACIS-MUFRIFMGSA-N 479.024 5.778 50 10 JKGE COc1ccc(/C=C(/C#N)C(=O)Nc2ccc3c(c2)OCCO3)cc1COc1ccc(C(C)C)cc1 96438846 DEXKGHDUVLUPMK-HMAPJEAMSA-N 484.552 5.714 50 10 JKGE N#C/C(=C/Nc1cc(C(F)(F)F)ccc1Cl)c1nc(-c2cccc(Br)c2)cs1 100406192 SQCVPPDOGOIHDV-XFXZXTDPSA-N 484.728 7.221 50 10 JKGE CCCOC(=O)c1ccc(NC(=O)[C@@H](Br)[C@H](Br)c2ccccc2)cc1 101643410 MXPBYFIBBGEFSV-SJORKVTESA-N 469.173 5.092 50 10 JKGE CC(C)Cc1ccc(-c2csc(/C(C#N)=C\Nc3ccccc3OC(F)(F)[C@@H](F)Cl)n2)cc1 102420162 FVZOOBHJHGRJRP-IUZFBFHQSA-N 491.966 7.491 50 10 JKGE COC(=O)c1cc(N/C=C(/C#N)c2nc(-c3cccc4ccccc34)cs2)cc(C(=O)OC)c1 102463193 XJRLSIOLDSANMJ-RGEXLXHISA-N 469.522 5.513 50 10 JKGE Fc1ccc(C[C@@H](Br)c2cc(Br)c(Br)s2)c(F)c1 128219392 KHCYLOMYHCSNJJ-MRVPVSSYSA-N 460.963 6.230 50 10 JKGE CC[C@@H](c1ccccc1)[C@@H](Br)c1cc(Br)c(Br)s1 128294761 YZKICVAOEHHUAY-GXFFZTMASA-N 453.037 6.903 50 10 JKGE CCOc1ccc([C@H](Br)c2c(F)cccc2Br)c(Br)c1 161220720 KWDZIOSIANGCOW-HNNXBMFYSA-N 466.970 6.234 50 10 JKGE CCOc1ccc(-c2nn(-c3ccccc3)cc2/C=C2\C(=O)N(CC(C)C)C(=O)C(C#N)=C2C)c(C)c1 214271199 TYVDWWMDUNPMKD-YSMPRRRNSA-N 494.595 5.495 50 10 JKGE Brc1cc([C@@H](Br)[C@H]2CCc3ccccc3C2)c(Br)s1 223608755 BECSVVAIAYDEOU-FZMZJTMJSA-N 465.048 6.514 50 10 JKGE O=C(NC[C@@H]1CCCC[C@H]1CBr)c1cc(Br)cc(Br)c1 232476925 QJDOHERBGVICTA-QWRGUYRKSA-N 468.027 5.143 50 10 JKGE C[C@@H]1Cc2cc([C@@H](Cl)c3cc(Br)ccc3I)ccc2O1 235408388 FBPPPZJLYJRASQ-JDNHERCYSA-N 463.540 5.705 50 10 JKGE Fc1ccc(F)c([C@H](Br)c2cc(I)ccc2Br)c1 236172367 JKEAPWKMYCWOBE-CYBMUJFWSA-N 487.907 5.816 50 10 JKGE O=C(CNc1ccc2ccccc2c1)NN=Cc1cccc(Oc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])c1 254293356 YYEYEQLFEIUJSY-UHFFFAOYSA-N 485.456 5.011 50 10 JKGE O=C(NN=Cc1ccc(OCc2ccccc2)cc1)c1nc(-c2ccccc2)n(-c2ccccc2)n1 254498576 DOUBPLORXFBNDX-UHFFFAOYSA-N 473.536 5.277 50 10 JKGE CCCCCCCCOc1ccc(-c2cc(C(=O)NN=Cc3ccc(C(C)C)cc3)[nH]n2)cc1 263627419 IZDXYBHAEITCMM-UHFFFAOYSA-N 460.622 6.703 50 10 JKGE Cc1cc(C)c([C@@H](Br)c2ccccc2OCc2ccccc2)c(C)c1Br 388484136 WAUFSDASCDCOPJ-QHCPKHFHSA-N 474.236 7.438 50 10 JKGE Cc1ccc(C(CBr)(CBr)Cc2ccsc2Br)cc1 388755602 RGYCZGMGOGYBFH-UHFFFAOYSA-N 467.064 6.089 50 10 JKGE BrCc1cc(Br)c(OC[C@@H]2CC[C@H]3C[C@@H]3C2)c(Br)c1 403703905 DCTLHLOTYMFHTJ-USWWRNFRSA-N 453.012 5.922 50 10 JKGE Clc1sccc1CC(CBr)(CBr)c1ccc(Br)cc1 687947997 BVXKFVXQTYREBH-UHFFFAOYSA-N 487.482 6.434 50 10 JKGE Cc1cc([C@@H](Br)c2ccc(F)c(Br)c2F)ccc1Br 691627583 AEABYABVLSAECS-GFCCVEGCSA-N 454.934 6.283 50 10 JKGE Cn1cc(Br)c([C@H](Br)c2ccc(Br)c3ccccc23)n1 693043708 MQUAHGMOQYULDE-CQSZACIVSA-N 458.979 5.583 50 10 JKGE Cc1ccc([C@@H](Br)c2ccc(Cl)c(Br)c2)c(C)c1Br 719537458 PTFJAMVSTZRWBK-HNNXBMFYSA-N 467.426 6.966 50 10 JKGE Cc1sc([C@@H](Br)c2cc(Cl)cc(Br)c2)c(C)c1Br 724908535 IOTIFXUMGIWMND-LBPRGKRZSA-N 473.455 7.028 50 10 JKGE COc1cccc(C=NNC(=O)c2cccc(Br)c2)c1OCc1ccccc1Cl 1084389316 LJPBPKKLFPSZDP-UHFFFAOYSA-N 473.754 5.454 50 10 JKGE CCOc1ccc(C(=O)NN=Cc2ccc(OCc3cccc4ccccc34)c(OCC)c2)cc1 1084448582 GVIXCVUBCQXAIR-UHFFFAOYSA-N 468.553 5.980 50 10 JKGE Cc1cccc(-n2c(C)c(Br)c(C=NNC(=O)COc3ccccc3C)c2C)c1 1084519935 JHDWJJGIBYUKJY-UHFFFAOYSA-N 454.368 5.003 50 10 JKGE CCOC(=O)COc1ccc(/C=C(\C#N)C(=O)Nc2cccc(Cl)c2Cl)cc1Br 1084633978 IQFXFQADNUCSIR-MDWZMJQESA-N 498.160 5.243 50 10 JKGE Cc1c(C(=O)Nc2cc(C(F)(F)F)ccc2Cl)oc2c1C(=NNC(=O)c1ccco1)CCC2 1772748065 XYIFZSZYRLXKTC-UHFFFAOYSA-N 479.842 5.576 50 10 JKGE Cc1ccc(Cl)cc1NC(=O)c1oc2c(c1C)C(=NNC(=O)c1ccc3ccccc3n1)CCC2 1772751168 JMKGVROWLPNXJB-UHFFFAOYSA-N 486.959 5.821 50 10 JKGE CCOc1ccccc1NC(=O)[C@@H](C)Oc1cccnc1NC(=O)Nc1ccc(SC#N)cc1 1858843040 HOIFNFUVGDJUPQ-MRXNPFEDSA-N 477.546 5.103 50 10 JKGE COc1ccc(-c2nn(-c3cccc4ccccc34)c3c2[C@@H](c2cccc(O)c2)C(C#N)=C(N)O3)cc1 1865681155 GGZPBDZHJMFSPE-SANMLTNESA-N 486.531 5.625 50 10 JKGE CCCCOc1ccc([C@@H]2C(C#N)=C(N)Oc3c2c(CC)nn3Cc2ccccc2)cc1OCC 1865687762 ZURLRVOPLJUJDO-RUZDIDTESA-N 472.589 5.290 50 10 JKGE CCCOc1ccc([C@@H]2C(C#N)=C(N)Oc3c2c(-c2ccccc2)nn3Cc2ccc(C)cc2)cc1 1865693510 KGBILSURFUFMTM-AREMUKBSSA-N 476.580 5.914 50 10 JKGE CCOc1ccc([C@@H]2C(C#N)=C(N)Oc3c2c(-c2ccccc2)nn3-c2cccc3ccccc23)cc1 1865693828 MCBPPURPHRIARS-HHHXNRCGSA-N 484.559 6.309 50 10 JKGE Cc1ccccc1COc1ccc([C@H]2C(C#N)=C(N)Oc3c2c(C)nn3-c2ccc(Cl)cc2)cc1 1865703075 MNHBOAMJAQBGGI-SANMLTNESA-N 482.971 5.940 50 10 JKGE Cc1nn(-c2ccccc2)c2c1[C@H](c1ccc(OCc3ccccc3Cl)cc1)C(C#N)=C(N)O2 1865703534 AOVJWOJSNOWEEY-RUZDIDTESA-N 468.944 5.631 50 10 JKGE CCc1ccc([C@H]2C(C#N)=C(N)Oc3c2c(-c2ccc(OC)cc2)nn3-c2ccc(C)cc2)cc1 1865708877 ICEGSYVFDUCCHV-VWLOTQADSA-N 462.553 5.637 50 10 JKGE COc1ccc(-c2nn(Cc3cccc(Cl)c3)c3c2[C@@H](c2cccc(C)c2)C(C#N)=C(N)O3)cc1 1865711034 OLIUTGPJYLMNCR-DEOSSOPVSA-N 482.971 5.787 50 10 JKGE Cc1nc(-c2ccc(Cl)cc2Cl)ccc1C(=O)NNC(=O)c1ccc(CSC(C)C)o1 1865759483 CDTISXFMKMKIAJ-UHFFFAOYSA-N 478.401 5.673 50 10 JKGE CCCC[C@H](NC(=O)Cc1nc(-c2ccccc2C)oc1C)C(=O)Nc1ccc(SC#N)cc1 1866643095 MAROOJCVMZOVEQ-QFIPXVFZSA-N 476.602 5.388 50 10 JKGE CCCC[C@H](NC(=O)[C@@H](c1ccc(Cl)cc1)C1CCCC1)C(=O)Nc1ccc(SC#N)cc1 1867006403 UXJKPDFPTDZONF-BJKOFHAPSA-N 484.065 6.501 50 10 JKGE N#C/C(=C\c1ccc(N2N=C(c3ccccc3)C[C@@H]2c2ccccc2)cc1)c1ccc(Cl)cc1F 1872729396 HWBUJOIFJSFKLF-NBLTXYOTSA-N 477.970 7.899 50 10 JKGE N#C/C(=C(/O)CCCN1C(=O)c2ccc([N+](=O)[O-])cc2C1=O)c1nc(-c2cccc(Cl)c2)cs1 1872748347 UBIBEMYMAAHDSI-ZZEZOPTASA-N 494.916 5.241 50 10 JKGE CCc1cccc(CC)c1N1C[C@@H](/C(O)=C(\C#N)c2nc(-c3ccc(OC)c(F)c3)cs2)CC1=O 1872752920 YXIOSWJKAIKNFK-MHAPCUCXSA-N 491.588 5.928 50 10 JKGE COc1ccc(-c2csc(/C(C#N)=C(\O)CCCN3C(=O)c4ccccc4C3=O)n2)cc1Cl 1872757659 PUBWDIZXNDHGJJ-JZJYNLBNSA-N 479.945 5.341 50 10 JKGE COc1ccc(-c2csc(/C(C#N)=C(\O)[C@H](C)Oc3ccc(Cl)cc3)n2)c2ccccc12 1872758749 OSFSNMRRDZFRGQ-QOHUBZANSA-N 462.958 6.885 50 10 JKGE CC(C)(C)OC(=O)N1CCC[C@H]1C(=O)N/N=C/c1ccc(OCc2c(Cl)cccc2Cl)cc1 1873795356 ZMFCFZWGFBYLBV-XYGFXTTESA-N 492.403 5.422 50 10 JKGE CCOc1cc(/C(O)=C(\C#N)c2nc(-c3ccc4ccccc4c3)cs2)cc(OCC)c1OCC 1873940700 CYZXXJRREKARAP-ROMGYVFFSA-N 486.593 7.109 50 10 JKGE Cl[C@H](c1ccc(Br)o1)c1ccc(OCc2ccccc2)cc1Br 1899875962 CFXUPSGJZMUPTJ-SFHVURJKSA-N 456.561 6.712 50 10 JKGE C[C@@H](Cl)CN(Cc1ccccc1)S(=O)(=O)c1c(Cl)cc(Br)cc1Cl 1914664480 SPOQBEWXWFAFKB-LLVKDONJSA-N 471.631 5.574 50 10 JKGE CC[C@@H](Br)CN(Cc1ccccc1)C(=O)c1ccccc1OCc1ccccc1 1915098158 CONSOTHPHHIFDY-JOCHJYFZSA-N 452.392 6.082 50 10 JKGE CC[C@H](Br)CN(Cc1ccccc1)C(=O)c1ccc(I)cc1 1915124731 GSHGRRRBKNXPCK-INIZCTEOSA-N 472.164 5.107 50 10 JKGE CCn1cc([C@@H](Cl)c2sc(Br)c(C)c2Br)nc1Br 1922887367 VJGUSPYSVYMQPG-MRVPVSSYSA-N 477.447 5.889 50 10 JKGE C[C@@H]1[C@H]([C@@H](Cl)c2c(Br)sc(Br)c2Br)C1(F)F 1924569350 UFGVTVDJYJVSER-WSPNPXCPSA-N 459.375 6.217 50 10 JKGE COc1ccc([C@H](Cl)c2c(Br)sc(Br)c2Br)cc1C 1924572113 WUWPYQRUNVPNLS-NSHDSACASA-N 489.454 6.681 50 10 JKGE Cn1cc([C@@H](Br)c2sc(Br)cc2Br)c(Br)n1 1981646609 MHYOLDANYYULSJ-SSDOTTSWSA-N 493.844 5.253 50 10 JKGE Brc1ccc([C@@H](Br)c2cscc2Br)c(Br)c1 1994121597 BXMFDHAZGGWJQI-LLVKDONJSA-N 489.852 6.520 50 10 JKGE Cc1nn(C)c([C@H](Cl)c2sc(Br)cc2Br)c1Br 2017377066 RKJQCVLWBKMFFF-QMMMGPOBSA-N 463.420 5.406 50 10 JKGE Brc1csnc1[C@H](Br)c1cc(Br)c2c(c1)CCO2 2030021752 OWPFDZCKBSDJEX-SNVBAGLBSA-N 453.981 5.087 50 10 JKGE Cn1ncc([C@@H](Cl)c2cc(C3CC3)c(Br)s2)c1I 2033631573 GFASMVUICQKHFC-SNVBAGLBSA-N 457.562 5.054 50 10 JKGE CC1(C)CN(Cc2ccccc2)CCN1c1cc(Br)cc(F)c1CBr 2051131286 ISAJBSGHNSJHGM-UHFFFAOYSA-N 470.224 5.584 50 10 JKGE C[C@@H](Br)[C@@H](NCc1cc(Br)ccc1Br)C(F)(F)F 2074731151 JUYZZGXPVNVAOT-LHLIQPBNSA-N 453.922 5.016 50 10 JKGE Brc1ccc([C@@H](Br)c2ncn3ccsc23)c(I)c1 2086144728 DAKQSVXAHUCRKF-SNVBAGLBSA-N 497.981 5.247 50 10 JKGE FC1(F)[C@@H]([C@H](Br)c2cc(Br)ccc2Br)C12CCCC2 2097390323 LGSDRWRKOBSSMJ-NEPJUHHUSA-N 458.966 6.473 50 10 JKGE CN(Cc1sccc1Br)c1c(CBr)ccc(Br)c1Cl 2100768962 PYELEYYZGJEWCJ-UHFFFAOYSA-N 488.470 6.458 50 10 JKGE C[C@H]1CC[C@H](CCOc2c(Br)cc(Br)cc2CBr)O1 2104839457 ZVUVSNOCDCIUPU-JOYOIKCWSA-N 457.000 5.443 50 10 JKGE Cc1cc(Br)c([C@@H](Br)C[C@H]2CCC23CCC3)cc1Br 2110459118 RZOIFZRNWZWCDU-ABAIWWIYSA-N 451.040 6.926 50 10 JKGE CCc1cc(Br)c([C@@H](Br)c2cc(Cl)c(C)c(Br)c2)s1 2111086477 JJTZSXOJSBXBFR-ZDUSSCGKSA-N 487.482 7.282 50 10 JKGE Clc1nc(Cl)n([C@H]2CN(Cc3ccccc3)C3(CCCCC3)C2)c1CBr 2118792534 BIEPTWDYLODUTM-MRXNPFEDSA-N 457.243 6.235 50 10 JKGE Clc1cscc1CC(CBr)(CBr)c1cccc(Br)c1 2120344430 SKILAUVRVHTINT-UHFFFAOYSA-N 487.482 6.434 50 10 JKGE O=S(=O)(c1cc(CBr)ccc1Cl)N(Cc1ccccc1)Cc1cccs1 2123200513 IYMXXPSWZNKMGS-UHFFFAOYSA-N 470.841 5.688 50 10 JKGE Cc1cc(Br)c([C@@H](Br)c2c(Br)sc(C)c2C)cc1Cl 2138268776 QRHCEDZQFNTBAS-CYBMUJFWSA-N 487.482 7.336 50 10 JKGE COc1cccc(CBr)c1OCc1ccc(Br)cc1Br 2148686614 YOADGFVCNUVBAO-UHFFFAOYSA-N 464.979 5.694 50 10 JKGE CC[C@@](C)(Cn1c([C@@H](C)Cl)nc2cc(I)ccc21)N(C)Cc1ccccc1 2155091031 FLNKNPXKJJOIKQ-ZHRRBRCNSA-N 495.836 6.241 50 10 JKGE FC(F)(F)[C@@H]1CN(Cc2ccc(Br)cc2Br)C[C@H]1CBr 2163286050 KDCAVKFTWQVQNO-MWLCHTKSSA-N 479.960 5.217 50 10 JKGE Fc1ccc(I)cc1[C@H](Br)Cc1nc2ccccc2s1 2169668173 NDDFKVWYTIIEOQ-LLVKDONJSA-N 462.125 5.719 50 10 JKGE CO[C@@H]1CC([C@H](Br)c2ccc(Br)c(C)c2Br)C[C@H]1OC 2203706743 TYNPTSVLWPRMCD-NFAWXSAZSA-N 471.027 5.396 50 10 JKGE CC1(C)C[C@]1(Cl)[C@H](Br)c1c(Br)sc(Br)c1Cl 2211989013 BPILVFNUXUODJC-LDWIPMOCSA-N 471.867 6.770 50 10 JKGE Cc1ccc([C@H](Br)c2ccc(F)c(Br)c2)cc1I 2217861113 OJKXNQTYHNTRGN-CQSZACIVSA-N 483.944 5.986 50 10 JKGE ClCc1nc2cc(Br)c(Br)cc2n1[C@H]1CC[C@H]1OCc1ccccc1 2218660360 UTUWIBOHOGJRTF-FUHWJXTLSA-N 484.619 6.220 50 10 JKGE Cc1cccc(Br)c1[C@@H](Br)c1c(C)sc(Br)c1C 2218798828 BCNZLMWKQUPXCE-CYBMUJFWSA-N 453.037 6.683 50 10 JKGE Cn1nc([C@@H](Cl)c2cc(Br)c(Br)cc2F)c(Cl)c1Cl 2225632343 BMDHZYRIIMQYGO-QMMMGPOBSA-N 451.348 5.719 50 10 JKGE Cc1c(Br)csc1[C@@H](Br)c1scc(C(F)(F)F)c1Br 2226119822 BSSMSEMALXWLIS-MRVPVSSYSA-N 499.009 7.146 50 10 JKGE Cc1ccc([C@H](Cl)c2c(Br)sc(Br)c2Br)c(F)c1F 2231340210 KCBJGHAIQYGFRZ-QMMMGPOBSA-N 495.408 6.950 50 10 JKGE C[C@@H](Cl)c1nc2cc(Br)c(Br)cc2n1CC1CC(Br)C1 2234066147 LSWXJCKLSMISHL-AFPNSQJFSA-N 485.445 6.035 50 10 JKGE COc1ccc([C@@H](Br)c2scc(Br)c2C)c(OC)c1Br 2234516846 KXESAKGCCXZTAK-LLVKDONJSA-N 485.035 6.083 50 10 JKGE Clc1cc([C@H](Br)c2ccc([C@H]3CCOC3)s2)ccc1I 2240427348 RJYAFFXJAWXPER-BONVTDFDSA-N 483.596 5.994 50 10 JKGE O=C(c1ccc(Br)cc1Br)N1C[C@@H](Br)CC12CCCC2 2241026995 QFDNNFUWJWWEIF-NSHDSACASA-N 466.011 5.134 50 10 JKGE Cl[C@H](Cc1cc(Br)cc(Br)c1)c1sccc1Br 2252777943 HGBZLUIAUNLECY-LLVKDONJSA-N 459.428 6.558 50 10 JKGE CC(C)c1cc(Br)cc([C@@H](Cl)c2cc(Br)c(Br)s2)c1 2265967151 LNTAPXZKNDQOSM-CYBMUJFWSA-N 487.482 7.487 50 10 JKGE Cc1cc(Br)c([C@H](Cl)c2cccc(C)c2I)c(C)c1F 2279142672 VCIHWXHVFDQDPL-CQSZACIVSA-N 467.547 6.446 50 10 JKGE CC(C)(C)OC(=O)N1CCC[C@@](CI)(OC2(C)C3CC4CC(C3)CC2C4)C1 2287252695 JSLPIZSSMXGWCA-HTNAJTJWSA-N 489.438 5.423 50 10 JKGE C[C@@]12CC[C@@]([C@@H](Br)c3c(F)cc(Br)c(F)c3Br)(CO1)C2 2288357536 KTQWAKNIYQPXFI-IHRRRGAJSA-N 474.965 5.885 50 10 JKGE CC12CCC([C@H](Br)Cc3cc(Br)cc(Br)c3)(CC1)CO2 2295330737 ZIDANZGATNWFHS-QQFBHYJXSA-N 467.039 5.867 50 10 JKGE CCOc1ccc(-c2nn(-c3ccccc3)cc2C=C(C#N)C(=O)Nc2ccc(C)cc2)c(C)c1 2296705049 JDZFEDUVUKDYCE-UHFFFAOYSA-N 462.553 6.101 50 10 JKGE CC(C)(C)c1ccc(Oc2ccc(C=C(C#N)C(=O)NCc3ccc(Cl)cc3)cc2[N+](=O)[O-])cc1 2297381459 ABYCQIMZVNDYJG-UHFFFAOYSA-N 489.959 6.561 50 10 JKGE C[C@@H]1OCCO[C@H]1[C@@H](Br)c1cc(Br)ccc1OCc1ccccc1 2299501511 OSEALLPIEDJYNH-FASAQXTFSA-N 456.174 5.268 50 10 JKGE Cc1csc([C@@H](Br)c2cc(Br)ccc2OCc2ccccc2)c1Cl 2299502190 VCHFQQZKAQYIHQ-KRWDZBQOSA-N 486.656 7.536 50 10 JKGE COC1CC(C[C@H](Br)c2cc(Br)ccc2OCc2ccccc2)C1 2299536344 YSWPNCAZQUPUMD-KVWWFHCMSA-N 454.202 6.279 50 10 JKGE Cc1cc([C@H](Br)c2c(Br)c(Br)nn2C)sc1Cl 2301044048 LSCXMYGUDYSHBT-LURJTMIESA-N 463.420 5.453 50 10 JKGE Cc1ccc(NC(=O)C(C#N)=Cc2ccc(OCc3ccc([N+](=O)[O-])cc3)c(Br)c2)cc1 2313567018 BCQQUMQSAKJEMQ-UHFFFAOYSA-N 492.329 5.790 50 10 JKGE Cc1ccc(S(=O)(=O)C(C#N)=Cc2cn(-c3ccccc3)nc2-c2ccc(Cl)cc2)cc1C 2314522504 MDNNKRVSSVWFKV-UHFFFAOYSA-N 473.985 6.148 50 10 JKGE CCOC(=O)c1c(NC(=O)C(C#N)=Cc2ccc(-c3cccc(Cl)c3)o2)sc(C)c1C 2314571130 BMCRCYXRLSJZAB-UHFFFAOYSA-N 454.935 6.001 50 10 JKGE CCOc1ccc(N2C(=O)[C@@H](Cc3cccc(C)c3)SC2=C(C#N)C(=O)Nc2ccccc2C)cc1 2314592295 QEUCOSZTNZAVAR-AREMUKBSSA-N 497.620 5.767 50 10 JKGE CCCOc1ccc(C=C(C#N)C(=O)Oc2ccc(C(=O)Nc3cc(Cl)ccc3Cl)cc2)cc1 2314737661 IATKWLRAXDJRMS-UHFFFAOYSA-N 495.362 6.547 50 10 JKGE CCCCc1ccc(N(C(=O)C(C#N)=Cc2ccc(OC)cc2)S(=O)(=O)c2ccccc2)cc1 2314777622 NDBUNNHZACHEPT-UHFFFAOYSA-N 474.582 5.367 50 10 JKGE CCOc1ccc(C=C(C#N)C(=O)Nc2nc(-c3ccc(Br)cc3)c(C)s2)cc1 2314792825 GGCJPRRJYJHMKB-UHFFFAOYSA-N 468.376 5.825 50 10 JKGE CCCCOc1ccc(C=C(C#N)C(=O)Nc2nc(-c3ccc(OCC)cc3)c(C)s2)cc1 2314793429 SBVDSCORBMOFIE-UHFFFAOYSA-N 461.587 6.242 50 10 JKGE CC1(C)C[C@@H]1C[C@@H](Br)c1c(Cl)cc(Br)c(F)c1Br 2315440206 PQTFJHQQBZJKOI-NKWVEPMBSA-N 463.410 6.876 50 10 JKGE Fc1c(Br)cc(Cl)c([C@H](Br)c2ccsc2Cl)c1Br 2315454367 WITQKZLCBRYBMZ-MRVPVSSYSA-N 497.836 7.203 50 10 JKGE CC12CC(C1)[C@H]([C@@H](Br)c1cc(Br)ccc1OCc1ccccc1)CO2 2315917300 FLHLOWYVDQWICE-DWGTVPPDSA-N 466.213 6.279 50 10 JKGE Cn1nc(Br)c(Br)c1[C@@H](Br)Cc1cccc(Cl)c1 2316702322 YFMRAGOSKYYFAA-VIFPVBQESA-N 457.391 5.277 50 10 JKGE CCCCOC(=O)c1ccccc1NC(=O)C(C#N)=CNc1ccc(Cl)cc1C(F)(F)F 2325309855 MJYMGCIGQIRMAD-UHFFFAOYSA-N 465.859 5.774 50 10 JKGE CCOC(=O)c1c(-c2ccc(Cl)cc2)csc1NC(=O)C(C#N)=Cc1cccc(Cl)c1 2329687289 GHTVTAYYQDGWJZ-UHFFFAOYSA-N 471.365 6.444 50 10 JKGE COc1cccc(C=C(C#N)c2ccc(C(=O)OC(C)C)o2)c1OCc1ccccc1Cl 2331048950 PCALYOFWAIIFAS-UHFFFAOYSA-N 451.906 6.150 50 10 JKGE CCc1ccc(OCCCC(O)=C(C#N)c2nc(-c3cccc(OC)c3)cs2)c(Br)c1 2331248637 GKLPGYLTPHDTKA-UHFFFAOYSA-N 499.430 6.795 50 10 JKGE CC(C)[C@@H](C(O)=C(C#N)c1nc(-c2cccc(Cl)c2)cs1)N1C(=O)c2ccccc2C1=O 2331293776 AXQTZDRAQLLIQD-FQEVSTJZSA-N 463.946 5.577 50 10 JKGE Cc1ccc(C)c(-c2csc(C(C#N)=C(O)c3ccc4c(c3)C(=O)N(C3CCCCC3)C4=O)n2)c1 2331319621 QNTLAXINEGBWAX-UHFFFAOYSA-N 483.593 6.306 50 10 JKGE N#CC(=C(O)[C@H](Cc1ccccc1)N1C(=O)c2ccccc2C1=O)c1nc(-c2ccc(F)cc2)cs1 2331344266 AZWJJZUIGNIIKK-DEOSSOPVSA-N 495.535 5.649 50 10 JKGE COc1cc(-c2csc(C(C#N)=C(O)c3ccc(OCC(C)C)cc3)n2)c(OC)cc1Cl 2331377239 ARVVIYMHSXYKLM-UHFFFAOYSA-N 470.978 6.465 50 10 JKGE COc1ccc(-c2csc(C(C#N)=C(O)[C@@H]3CC(=O)N(Cc4ccccc4)C3)n2)c2ccccc12 2331406407 JOWLMCIFXHIYNY-LJQANCHMSA-N 481.577 5.813 50 10 JKGE CCCCc1ccc(-c2csc(C(C#N)=Cc3ccc(OCc4ccc(C)cc4)cc3)n2)cc1 2331429379 SCWZYVFKDIMETP-UHFFFAOYSA-N 464.634 8.104 50 10 JKGE CCCCOc1ccc(C=C(C#N)c2nc(-c3cc(C(C)(C)C)ccc3C)cs2)cc1OC 2331478531 RBWMQNAYCNPOGY-UHFFFAOYSA-N 460.643 7.668 50 10 JKGE COc1cc(C)c(-c2csc(C(C#N)=Cc3ccc(OCc4ccc(Cl)cc4)cc3)n2)cc1C 2331485582 IJJMKRXLHAAEDN-UHFFFAOYSA-N 487.024 7.732 50 10 JKGE CC1(C)[C@H]2CO[C@]1([C@H](Br)Cc1cc(Br)cc(Br)c1)C2 2335066734 RBQAHFXBGDCABQ-YVLXSGLVSA-N 453.012 5.333 50 10 JKGE Brc1ccc(OCc2ccccc2)c([C@H](Br)[C@@H]2C[C@H]3COC[C@H](C3)C2)c1 2336041368 NKQWNHYZWPWYIG-BZDHPDOMSA-N 480.240 6.527 50 10 JKGE COC[C@]12C[C@]([C@@H](Br)c3ccc(OCc4ccccc4)cc3Br)(CO1)C2 2336083202 IIDUMAYLICTAHH-ACRUOGEOSA-N 482.212 5.660 50 10 JKGE Clc1ccc(CC2(CBr)CC3(CCCO3)C2)cc1I 2337227302 JFOMDSGRCSRSOF-UHFFFAOYSA-N 455.561 5.211 50 10 JKGE CCCc1sc(Br)cc1[C@H](Br)c1nc(CC)sc1Br 2338031870 PWWJRMKTUFYQEO-NSHDSACASA-N 488.108 6.729 50 10 JKGE Cc1cc(Br)c(F)c(Br)c1[C@H](Br)C[C@@H]1CCO[C@H]1C 2339656243 LXJLOLUUODFMOK-LPEHRKFASA-N 458.991 5.910 50 10 JKGE Fc1cccc([C@@H](Br)CCc2ccc(Cl)cc2I)c1 2341032988 RJASPFDLNGEPAL-AWEZNQCLSA-N 453.520 6.153 50 10 JKGE COc1ccc([C@H](Br)[C@H]2CC[C@@H]3[C@H](C2)C3(F)F)cc1I 2359464708 HSNANEHZHXNUAD-WQURNTSKSA-N 457.096 5.417 50 10 JKGE Fc1cc(Br)cc([C@H](Cl)c2c(F)cc(Cl)c(Br)c2Cl)c1 2360428904 KGDDMBHJAUGAIB-LBPRGKRZSA-N 465.346 7.125 50 10 JKGE C[C@@H](CBr)N(Cc1ccccc1)Cc1cc(C(F)(F)F)ccc1C(F)(F)F 2362136848 LUKAOLHGILXLJX-ZDUSSCGKSA-N 454.252 6.510 50 10 JKGE Fc1cccc(C[C@H](Br)c2c(Cl)cc(Br)c(F)c2Br)c1 2362252891 HADHGZKVEZCQQW-VIFPVBQESA-N 489.379 6.822 50 10 JKGE Cc1ccc([C@@H](Cl)c2sc(Cl)cc2I)cc1C(F)(F)F 2363878050 XKLMHUMHUFIHMG-LLVKDONJSA-N 451.078 6.662 50 10 JKGE Cc1cc(Br)c(F)c(Br)c1[C@@H](Br)[C@]1(C)CCCC1(F)F 2365180047 QWEBSCCYQINGQB-OLZOCXBDSA-N 478.972 6.921 50 10 JKGE CCN[C@H](c1c(C)cc(Br)c(OC)c1Br)[C@H]1C[C@@H](Br)C1 2365215659 MJNRJBKVNKDHPG-RBZYPMLTSA-N 470.043 5.353 50 10 JKGE CC[C@@H](Cl)c1c(C)nn(Cc2ccc(I)c(Br)c2)c1C 2377263957 PIRRKJILPSYJDF-CYBMUJFWSA-N 467.576 5.605 50 10 JKGE CCOc1cc(C=NNC(=O)c2cccc(Cl)c2)ccc1OCC(=O)Nc1ccc(C)c(C)c1 8437626 HESPGUNVIXLGGP-UHFFFAOYSA-N 479.964 5.137 50 10 JKGE Cc1ccc(-c2nnc(SCC(=O)NN=Cc3ccc(C(C)(C)C)cc3)n2-c2ccccc2)cc1 19800128 ONHRMLFEAXYSFI-UHFFFAOYSA-N 483.641 5.783 50 10 JKGE COc1ccc(/C=N/NC(=O)c2ccc(Cl)cc2O)cc1COc1cc(C)c(Cl)c(C)c1 20615889 RTZSGKIZFQJOTO-KKMKTNMSSA-N 473.356 5.667 50 10 JKGE COc1ccc(OCCCC(=O)Oc2cccc(/C=C(/C#N)c3ccc(OC)c(OC)c3)c2)cc1 31902945 LJPQEBCIUMIXCT-JWGURIENSA-N 473.525 5.541 50 10 JKGE Cc1ccc(NC(=O)/C(C#N)=C2/S[C@H](Cc3cccc(C)c3)C(=O)N2c2ccc(F)cc2)cc1 33579304 DOAURYFCWSQWJI-GUNDDFSMSA-N 471.557 5.508 50 10 JKGE N#C/C(=C/c1cccc(OCc2ccccc2)c1)C(=O)Nc1ccc([N+](=O)[O-])cc1Br 33930329 WXFNGXKUANNQAT-WQRHYEAKSA-N 478.302 5.482 50 10 JKGE Cc1ccc(OCC(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@H]3c2cccc3ccccc23)cc1 38657687 WAPCAPWHACBLRJ-NDEPHWFRSA-N 462.505 5.351 50 10 JKGE Cc1cccn2c(=O)c(/C=C(/C#N)C(=O)Nc3ccc(F)cc3)c(Oc3ccc(C(C)(C)C)cc3)nc12 39858522 HZFVKBYURIJBRA-MNDPQUGUSA-N 496.542 5.778 50 10 JKGE Cc1cccn2c(=O)c(/C=C(/C#N)C(=O)Nc3cccc(Cl)c3)c(Oc3ccc(Cl)cc3)nc12 39858600 NTJOPQRXYDCYLO-VBKFSLOCSA-N 491.334 5.648 50 10 JKGE Cc1cccc(Oc2nc3ccccn3c(=O)c2/C=C(/C#N)C(=O)Nc2ccc(Cl)cc2)c1C 39858788 XGHNZVXGPOBXSK-JXAWBTAJSA-N 470.916 5.303 50 10 JKGE Cc1c(C(=O)Oc2ccc(F)cc2)oc2c1/C(=N/NC(=O)c1ccc(Cl)cc1Cl)CCC2 40813767 ATWWRQGCUAGDAH-OVVQPSECSA-N 475.303 5.724 50 10 JKGE Cc1c(C(=O)Oc2ccc3ccccc3c2)oc2c1/C(=N/NC(=O)c1ccc3ccccc3n1)CCC2 40825776 BKTTYQRFXGAGKE-FEZSWGLMSA-N 489.531 5.979 50 10 JKGE CCCCCCOc1ccc(/C=C(\C#N)C(=O)Nc2nc(-c3ccc(C)cc3)c(C)s2)cc1OC 40858429 FSVYRLMZHPWNLB-XQNSMLJCSA-N 489.641 6.940 50 10 JKGE O=C(N/N=C(/CSc1nc2ccccc2[nH]1)c1ccc([N+](=O)[O-])cc1)c1ccccc1Cl 59460731 CUHNTSZKHXBODP-QOMWVZHYSA-N 465.922 5.051 50 10 JKGE O=C(CSc1nc2ccc([N+](=O)[O-])cc2s1)N/N=C/c1c2ccccc2cc2ccccc12 59507165 NHSMIZTVYTXFBN-DHRITJCHSA-N 472.551 5.753 50 10 JKGE COc1ccc(C[C@@H](CBr)Cc2cccc(Br)c2)cc1Br 97184649 VUTCIMCQWGEGFN-AWEZNQCLSA-N 477.034 6.017 50 10 JKGE N#C/C(=C\Nc1ccc(S(=O)(=O)Nc2ccc(Br)cc2)cc1)c1nc2ccccc2o1 101135573 RBIIMAMTXIEQMF-CCEZHUSRSA-N 495.358 5.368 50 10 JKGE O=C(OC(=O)/C(=C\c1ccccc1)Cc1ccccc1)/C(=C\c1ccccc1)Cc1ccccc1 108107639 DOSSCVBZRKLATM-ITAMXUNVSA-N 458.557 6.709 50 10 JKGE Clc1ccc(Cl)c([C@@H](Br)c2cc(Br)c(Br)s2)c1 128189146 AZIJDFNSAMNGIW-SNVBAGLBSA-N 479.846 7.064 50 10 JKGE Brc1cc([C@@H](Br)Cc2ccc3ccccc3c2)sc1Br 128585511 XNHMRSJGJHZLDA-ZDUSSCGKSA-N 475.043 7.105 50 10 JKGE Cl[C@@H](c1cc(Br)ccc1Br)c1cc(Br)cc2c1OCC2 161122679 SPGNFWDBFBWJSA-AWEZNQCLSA-N 481.409 6.237 50 10 JKGE COc1ccc(N(C(=O)CCl)[C@H](C(=O)N[C@@H]2CCCC[C@@H]2C)c2ccccc2Cl)cc1Cl 169703943 OWNHWCJGZBDBJQ-NQKDMWHGSA-N 497.850 6.010 50 10 JKGE N#C/C(=C/NCc1ccc(Br)cc1)C(=O)Nc1ccc(Cl)c(C(F)(F)F)c1 217250739 IJVKTSPNKWWITC-BENRWUELSA-N 458.665 5.257 50 10 JKGE Cc1cc([C@H](Br)c2ccc(I)c(Cl)c2)sc1Cl 232345543 OVHFWJDHXFAMHH-LLVKDONJSA-N 461.977 6.452 50 10 JKGE COc1ccccc1C[C@@H](Br)c1cc(Br)ccc1I 234903690 UJWVXGTYLOBOHW-CYBMUJFWSA-N 495.980 5.741 50 10 JKGE O=[N+]([O-])c1ccccc1C[C@H](Cl)c1cc(I)ccc1Br 236021914 GRSVKPCEWGIZGO-ZDUSSCGKSA-N 466.500 5.485 50 10 JKGE Brc1cc([C@H](Br)[C@H]2C[C@H]2c2ccccc2)c(Br)s1 250818766 QFYJSQQFQNMCTQ-OUJBWJOFSA-N 451.021 6.513 50 10 JKGE Clc1ccc2nc(NN=Cc3ccc(OCCBr)cc3)nc(-c3ccccc3)c2c1 252629326 UDPBJXZSOUTYHP-UHFFFAOYSA-N 481.781 6.170 50 10 JKGE CC(=NNC(=O)[C@H](C)Oc1ccc(Cl)cc1C)c1ccc(NC(=O)c2cccs2)cc1 254402444 JZXVAWCQHJEAEI-INIZCTEOSA-N 455.967 5.270 50 10 JKGE CC[C@H]1CC[C@H]([C@@H](Br)c2cc(Br)c(C)cc2Br)CC1 381020545 SHZGSAUJGSKVDV-XHBSWPGZSA-N 453.056 7.172 50 10 JKGE Cc1c(Br)cccc1[C@@H]1CN(C(=O)OCc2ccccc2)C[C@@H]1CBr 382687785 IFGVPXNHCYFAOL-FUHWJXTLSA-N 467.201 5.505 50 10 JKGE Fc1ccc([C@H](Br)c2c(F)c(F)cc(F)c2F)c(I)c1 395967142 FEZNOFCFIQTOPO-NSHDSACASA-N 462.981 5.471 50 10 JKGE 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 504163700 JKEJJFJGGOFWEL-NQBVPGRESA-N 491.200 9.245 50 10 JKGE CC(C)(C)OC(=O)Nc1cccc([C@@H]2CCN(CCO[Si](C)(C)C(C)(C)C)CCO2)c1 616665724 VKUBPJRPELUHDG-NRFANRHFSA-N 450.696 5.819 50 10 JKGE C[C@H](Cl)c1nc2ccc(F)c(Br)c2n1[C@@H]1CN(Cc2ccccc2)C[C@@H]1C 689777226 CDDPGVIWAXRXNY-SUNYJGFJSA-N 450.783 5.931 50 10 JKGE Cn1ncc(Br)c1[C@H](Br)c1cc(Cl)c(Cl)c(Cl)c1Cl 693084525 DPQLDQMVJCVQPT-SSDOTTSWSA-N 467.803 6.281 50 10 JKGE O=C(CCCc1ccccc1)NN=C1C(=O)N(C(c2ccccc2)c2ccccc2)c2ccccc21 1084085798 SVHRLLWKDAVHFC-UHFFFAOYSA-N 473.576 5.666 50 10 JKGE CCOc1cc(/C=C(/C#N)C(=O)Nc2cc(Cl)ccc2C)ccc1OCc1ccccc1F 1084227993 WBIGLKSXNKVHHT-NDENLUEZSA-N 464.924 6.311 50 10 JKGE O=C(COc1ccc(C2CCCCC2)cc1)NN=Cc1ccc(Sc2ccc(Cl)cc2)o1 1084353050 ROKRLOWULAWSPV-UHFFFAOYSA-N 469.006 6.661 50 10 JKGE Cc1c(C(=O)Oc2ccc(Cl)cc2Cl)oc2c1C(=NNC(=O)c1ccc(Cl)cc1)CCC2 1772744108 TXKQTUMGPSESHS-UHFFFAOYSA-N 491.758 6.238 50 10 JKGE Cc1ccc(NC(=O)c2oc3c(c2C)C(=NNC(=O)c2ccccc2O)CCC3)c(Br)c1 1772751860 OHJCIQITGXFWDE-UHFFFAOYSA-N 496.361 5.087 50 10 JKGE CCN(C(=O)c1oc2c(c1C)C(=NNC(=O)Cc1coc3cc(C)cc(C)c13)CCC2)c1ccccc1 1772751902 DDSJATBLKGTKLU-UHFFFAOYSA-N 497.595 6.017 50 10 JKGE COc1ccc(-c2nn(-c3ccccn3)c3c2[C@H](c2cccc4ccccc24)C(C#N)=C(N)O3)cc1 1865682830 YGSZRZSFIMENAI-RUZDIDTESA-N 471.520 5.314 50 10 JKGE Cc1ccc(C)c(Cn2nc(C(F)(F)F)c3c2OC(N)=C(C#N)[C@@H]3c2ccc(Cl)cc2)c1 1865683013 CUULUMVGPQREIC-SFHVURJKSA-N 458.871 5.439 50 10 JKGE N#CC1=C(N)Oc2c(c(C(F)(F)F)nn2-c2ccc(Br)cc2)[C@@H]1c1cccc(F)c1 1865710939 MAXIUWVCGWPJFY-OAHLLOKOSA-N 479.231 5.011 50 10 JKGE CCc1nn(-c2ccc(C)cc2)c2c1[C@@H](c1cccc(OCc3ccccc3)c1)C(C#N)=C(N)O2 1865711541 AYOOBWJKXNYFGO-SANMLTNESA-N 462.553 5.540 50 10 JKGE CCCc1nn(Cc2ccc(Cl)c(Cl)c2)c2c1[C@@H](c1cccc(OC)c1)C(C#N)=C(N)O2 1865711924 LNAOOCYDISHJFI-NRFANRHFSA-N 469.372 5.417 50 10 JKGE CSCC[C@@H](NC(=O)C[C@@H](C)c1ccc(Cl)cc1)C(=O)Nc1ccc(SC#N)cc1 1866717331 WTJIAQOEYIPQQM-FOIQADDNSA-N 462.040 5.283 50 10 JKGE N#CSc1ccc(Nc2cc(N3CCC[C@H](CO)C3)nc(-c3ccc(Cl)cc3)n2)cc1 1868433570 NVGLEFRMGPPSPI-INIZCTEOSA-N 451.983 5.322 50 10 JKGE COC(=O)c1ccc(/C(C#N)=C/c2ccc(OCc3ccc(Cl)c(Cl)c3)c(OC)c2)o1 1872728723 PNFDAWHFYRVXED-CXUHLZMHSA-N 458.297 6.025 50 10 JKGE CCCCC1CCC(/C(O)=C(\C#N)c2nc(-c3cc(Cl)cc(Cl)c3OC)cs2)CC1 1872754489 VTKWCETWDQTKLH-UZYVYHOESA-N 465.446 7.915 50 10 JKGE COc1c(Cl)cc(-c2csc(/C(C#N)=C(\O)CCc3ccc(Cl)cc3)n2)cc1Cl 1872756018 QHNSXVWRKLXJOH-CYVLTUHYSA-N 465.789 7.204 50 10 JKGE COc1cc(-c2csc(/C(C#N)=C(\O)C34CC5CC(CC(C5)C3)C4)n2)c(OC)cc1Cl 1872756661 UUNKNSYPESGKNZ-XLNRJJMWSA-N 456.995 6.490 50 10 JKGE N#C/C(=C\c1cc(Br)ccc1F)c1nc(-c2ccc(Cl)cc2Cl)cs1 1872781383 CGUUXWUAUXFUTA-VZUCSPMQSA-N 454.151 7.083 50 10 JKGE COc1ccc(OC)c(-c2csc(/C(C#N)=C(\O)COc3cc(C)c(Cl)c(C)c3)n2)c1 1873921134 WRBOVXYBMPSSJD-ZZEZOPTASA-N 456.951 5.969 50 10 JKGE CCOc1cc(CBr)cc(Br)c1OCC1CC(Br)C1 1887917529 UNOJBVLDMXZBSN-UHFFFAOYSA-N 457.000 5.295 50 10 JKGE CC[C@@H]1C[C@H]1C[C@@H](Br)c1c(Br)sc(Br)c1Cl 1902788187 HSPSJGQNLVCQPX-DSYKOEDSSA-N 451.449 6.799 50 10 JKGE CC[C@@H](Cl)CN(Cc1ccccc1)S(=O)(=O)c1ccc(Br)cc1Cl 1915106167 PYUQFAAVDISYKL-OAHLLOKOSA-N 451.213 5.311 50 10 JKGE CC(C)(CCl)N(Cc1ccccc1)C(=O)c1cccc(Br)c1Br 1915756129 VIKHFVIUDUAQSS-UHFFFAOYSA-N 459.609 5.871 50 10 JKGE Cc1c(Br)sc([C@@H](Br)c2ccc(Cl)s2)c1Br 1922935276 OCXMFOOPBNZSRD-QMMMGPOBSA-N 465.457 6.781 50 10 JKGE O=S1(=O)CCC([C@@H](Cl)c2c(Br)sc(Br)c2Cl)CC1 1923050132 QQNXIZIEMJOZNT-SSDOTTSWSA-N 457.036 5.031 50 10 JKGE C[C@H]1C[C@H]([C@H](Br)c2c(Br)sc(Br)c2Cl)C[C@@H](C)O1 1923065912 IYKOKQMHJXIUOP-XQXXSGGOSA-N 481.475 6.566 50 10 JKGE COC[C@@]1([C@@H](Cl)c2c(Br)sc(Br)c2Br)CCCO1 1924615881 HSRBDGPJANIFEJ-GZMMTYOYSA-N 483.447 5.511 50 10 JKGE CC(C)C(C)(C)[C@H](Br)c1c(Br)sc(Br)c1Br 1924616594 QTTBMFVUTQXDOM-MRVPVSSYSA-N 497.916 7.154 50 10 JKGE Clc1cc(Br)c([C@@H](Br)c2ccc(Br)s2)s1 1933589564 UKVJQGNJMPVDEV-QMMMGPOBSA-N 451.430 6.472 50 10 JKGE CCN(CC)CCN(Cc1ccccc1)c1ccc(Br)cc1CBr 1946812445 CIWALJOUFNVERF-UHFFFAOYSA-N 454.250 5.692 50 10 JKGE CC(C)(C)OC(=O)Nc1c(Br)cc(Br)cc1CCBr 1951504392 VLTVQJBQEOLZIG-UHFFFAOYSA-N 457.988 5.496 50 10 JKGE Fc1cc(Br)cc(N(Cc2ccccc2)C[C@H]2CCCO2)c1CBr 2004046299 WVOYMYWIGQZKQN-MRXNPFEDSA-N 457.181 5.669 50 10 JKGE CCN(C[C@](C)(CI)OC1CC(C(C)(C)C)C1)C(=O)OC(C)(C)C 2011639594 YAIGPBBBPQASBA-ZOJXTTQQSA-N 453.405 5.278 50 10 JKGE CC[C@H](Br)CN(Cc1ccccc1)C(=O)c1ccc(Br)c(OC)c1 2017221358 GQWBIPNVXQHCST-INIZCTEOSA-N 455.190 5.274 50 10 JKGE CC(C)(C)OC(=O)NC[C@](C)(CI)O[C@@H]1CCC[C@H]2CCCC[C@H]21 2022999591 VILJBTNZVIGODJ-NNFUDEMPSA-N 451.389 5.080 50 10 JKGE N#CC(=Cc1c(-c2ccc(Cl)cc2)nc2sc3c(n12)CCCC3)c1ccc(Cl)c(Cl)c1 2040742159 HVGDKJKWWSKUGZ-UHFFFAOYSA-N 484.839 7.966 50 10 JKGE Brc1cc(Br)c([C@@H](Br)[C@H]2CCn3ccnc3C2)s1 2046627621 PVUCAKPTPKHTKV-CPCISQLKSA-N 455.013 5.168 50 10 JKGE Brc1cc([C@H](Br)[C@@H]2CCn3nccc3C2)sc1Br 2046628791 VNMGBMUMKRXHRP-RDDDGLTNSA-N 455.013 5.168 50 10 JKGE CN1CCC(N(Cc2ccccc2)c2cc(Br)cc(F)c2CBr)CC1 2051131843 RBFWQHDZIBGLJU-UHFFFAOYSA-N 470.224 5.584 50 10 JKGE CC(C)C[C@@H](CBr)CNC(=O)c1cc(Br)c(Br)s1 2057120499 RBQAEWNHFTUQTI-QMMMGPOBSA-N 462.045 5.060 50 10 JKGE Cc1cc([C@@H](Br)c2scc(C(F)(F)F)c2Br)c(Br)s1 2101015275 UYRPCYDBTHQORC-SSDOTTSWSA-N 499.009 7.146 50 10 JKGE C[C@@]1(C(F)(F)F)C[C@]1(CBr)Cc1ccc(Br)cc1Br 2105514283 RADDXCABHJOTMG-NEPJUHHUSA-N 464.945 6.108 50 10 JKGE Clc1ccc(COc2ccc(CBr)cc2Br)cc1Br 2110517886 HQNIVQLHPDICIC-UHFFFAOYSA-N 469.398 6.339 50 10 JKGE Fc1ccc([C@@H](Br)Cc2cccc(Cl)c2F)c(I)c1 2113464463 WMHGNSSYYCIOMS-NSHDSACASA-N 457.483 5.902 50 10 JKGE Fc1ccc(CC[C@@H](Br)c2cccc(Br)c2)cc1Br 2113489121 LHRGFHGHPPDFTI-CYBMUJFWSA-N 450.971 6.420 50 10 JKGE C[C@H](CCCCCI)NC(=O)c1cc(Cl)ccc1Br 2117895185 PTXHYWPXCKAFQL-SNVBAGLBSA-N 458.565 5.216 50 10 JKGE CCC[C@@H](Br)c1cn(Cc2cccc(Br)c2Br)nn1 2121068716 SKCGLQNTJWOWBA-SNVBAGLBSA-N 451.988 5.088 50 10 JKGE Cc1cc(Br)c(C)c([C@H](Br)[C@H]2C[C@@]2(C)C(F)F)c1Br 2136380499 VBNHDRHOEHKVRX-IHPUGEDLSA-N 460.982 6.556 50 10 JKGE Cc1c(Br)ccc([C@@H](Br)c2cc(Cl)ccc2F)c1Br 2138849584 FFYSTPAUDCNSMT-CQSZACIVSA-N 471.389 6.797 50 10 JKGE Cc1c(Br)ccc([C@@H](Cl)c2ccc(F)cc2Br)c1Br 2138867074 WKYGERVHVLSMSU-AWEZNQCLSA-N 471.389 6.750 50 10 JKGE COc1c(Br)cc(C)cc1[C@@H](Cl)c1ccccc1I 2139017347 SGAQKHFXXKSMBP-AWEZNQCLSA-N 451.529 5.699 50 10 JKGE CC(C)(C)OC(=O)NCC[C@H](N(C[C@H](CBr)C(C)(C)C)C1CC1)C(F)(F)F 2163063695 QXFMOUYFQGLVJG-ZFWWWQNUSA-N 459.391 5.354 50 10 JKGE COc1cc(COc2c(Br)cc(CBr)cc2Br)ccn1 2166432653 SMNFKRLPCYCPSR-UHFFFAOYSA-N 465.967 5.089 50 10 JKGE ClCCc1nc2cc(Cl)c(Br)cc2n1[C@]12C[C@H]1CN(Cc1ccccc1)C2 2169008699 GMAHGUFJICJALY-BTYIYWSLSA-N 465.222 5.465 50 10 JKGE Cc1cc(Br)c(C)c([C@H](Br)[C@@]23CC[C@@](C)(C2)OC3)c1Br 2201077387 ICJJPDIKWYVNGB-JYJNAYRXSA-N 467.039 6.224 50 10 JKGE CC[C@H]1CC[C@@H](CC(CBr)(CBr)c2cccc(Br)c2)O1 2201407965 BHZFWWTXGMYUBA-GJZGRUSLSA-N 469.055 5.824 50 10 JKGE CCCCCc1ccc([C@H](Br)c2ccc(I)c(C)c2)s1 2207111267 OGHPMRAWLIOSQA-QGZVFWFLSA-N 463.222 6.878 50 10 JKGE Cc1cc(Br)c([C@H](Br)C[C@H]2CCO[C@H]2C)c(C)c1Br 2227360152 PISFPAJFMYSQIB-DMDPSCGWSA-N 455.028 6.080 50 10 JKGE Fc1cc(Br)c(Br)cc1[C@H](Br)C(C1CCC1)C1CCC1 2233973816 BPYVVBIJZAWOFM-INIZCTEOSA-N 469.030 7.003 50 10 JKGE COc1ccc(C)cc1[C@H](Br)c1cc(Br)c(Br)cc1F 2233974624 GCSPYRZEEFHZBJ-OAHLLOKOSA-N 466.970 6.152 50 10 JKGE CCO[C@@H]1CC[C@H]([C@@H](Br)c2c(Br)cc(C)c(Br)c2C)C1 2235605246 QTNSTCBPESPEFM-HWWQOWPSSA-N 469.055 6.470 50 10 JKGE COc1ccc([C@H](Cl)c2csc(I)c2)c(Br)c1Cl 2256324054 WSZHHJUESPCVCG-LLVKDONJSA-N 477.976 6.105 50 10 JKGE Cc1c(Br)sc([C@@H](Br)C2CC3(CC(C)C3)C2)c1Br 2259481585 VSVPFMITBGWODT-VHZZMRGGSA-N 457.069 6.844 50 10 JKGE CN(Cc1ccc(I)cc1)c1cccc(Cl)c1CBr 2265604879 NSOOMBLYJSKSPW-UHFFFAOYSA-N 450.545 5.476 50 10 JKGE Fc1cc(Br)c(F)c(Br)c1[C@@H](Br)CC[C@H]1CCOC1 2272733606 MSCXMBKVCVPWND-YUMQZZPRSA-N 462.954 5.743 50 10 JKGE COc1ccc([C@@H](Br)Cc2ccc(F)c(F)c2)cc1I 2284999479 PWJPTWBUIQTQBW-NSHDSACASA-N 453.064 5.257 50 10 JKGE CC(C)(C1CCCC1)[C@@H](Br)c1c(F)cc(Br)c(F)c1Br 2288372627 ADSSNHMFINTKEO-AWEZNQCLSA-N 475.009 7.142 50 10 JKGE Cc1ccc(Cl)cc1NC(=O)C(C#N)=Cc1cc(Br)c(I)o1 2293544166 XKEPHMTWYUVEKC-UHFFFAOYSA-N 491.510 5.154 50 10 JKGE CCOC(=O)C(C#N)=Cc1cc(Br)c(OCc2ccc(F)cc2)c(Br)c1 2293812366 MKIMOGWZAZUFQH-UHFFFAOYSA-N 483.131 5.400 50 10 JKGE N#CC(=Cc1ccc(-c2cc(C(=O)O)ccc2Cl)o1)C(=O)Nc1ccc(Cl)c(Cl)c1 2294171946 LSULTPMAJBIVDX-UHFFFAOYSA-N 461.688 6.151 50 10 JKGE CC(C)(C)OC(=O)NC[C@H]1CN(CCCCCCCBr)CC[C@@H]1C(F)(F)F 2294698135 GLUFEDHODFYNGY-HOTGVXAUSA-N 459.391 5.357 50 10 JKGE COc1cc(C)c(Cl)cc1[C@@H](Cl)c1cc(I)ccc1Br 2295299772 UWDBONNPHWSFQM-HNNXBMFYSA-N 485.974 6.352 50 10 JKGE Fc1cc(Br)cc(F)c1[C@@H](Cl)c1cc2sc(Br)cc2s1 2295505248 ZYFFRRNMGJJURL-ZDUSSCGKSA-N 458.574 7.094 50 10 JKGE CCOC(=O)c1c(-c2ccc(Cl)cc2)csc1NC(=O)C(C#N)=Cc1ccc(O)c(OC)c1 2296833248 PQVVRQBXHYYRIB-UHFFFAOYSA-N 482.945 5.505 50 10 JKGE C[C@@H]1CCCC[C@@H]1[C@@H](Br)c1cc(Br)ccc1OCc1ccccc1 2299531022 RSJRZKKYEGWKIZ-FYINFDKHSA-N 452.230 7.290 50 10 JKGE Cc1ccc(NC(=O)C(C#N)=Cc2ccc(OCc3ccccc3)c(Br)c2)cc1C 2313511223 UYDPNLHRCNKOES-UHFFFAOYSA-N 461.359 6.191 50 10 JKGE N#CC(=Cc1cc(Br)c(N2CCCC2)o1)C(=O)Nc1ccc(Cl)c(Cl)c1 2313562281 KLANRRYNUNKELC-UHFFFAOYSA-N 455.139 5.495 50 10 JKGE CCOc1ccc(NC(=O)C(C#N)=Cc2cn(Cc3cccc(C(=O)OC)c3)c3ccccc23)cc1 2313675711 LXEFFYOSLGHIEK-UHFFFAOYSA-N 479.536 5.421 50 10 JKGE CCc1ccccc1NC(=O)C(C#N)=Cc1cc(Cl)ccc1OCc1ccccc1Cl 2313676755 ALXCXJDBDFYRDS-UHFFFAOYSA-N 451.353 6.680 50 10 JKGE CCOc1cc(C=C(C#N)C(=O)Nc2cc(Cl)ccc2C)cc(Br)c1OCC 2313730199 DRLAOWBCJWBPAY-UHFFFAOYSA-N 463.759 5.754 50 10 JKGE Brc1cc(OCc2ccccc2)ccc1[C@@H](Br)C[C@@H]1CCC12CCC2 2314440714 RQKQHOHRFBRCLS-PXNSSMCTSA-N 464.241 7.435 50 10 JKGE Brc1ccc(OCc2ccccc2)c([C@H](Br)[C@@H]2C[C@H]3CCCC[C@@H]32)c1 2314498779 XPZXWBMBZRAUDR-ITBLURSFSA-N 464.241 7.290 50 10 JKGE Cc1ccc(Oc2nc3c(C)cccn3c(=O)c2C=C(C#N)C(=O)Nc2cccc(Cl)c2)cc1 2314531397 AHZFUDHTNMAZOF-UHFFFAOYSA-N 470.916 5.303 50 10 JKGE Fc1cc(F)c([C@@H](Br)c2sc(Br)cc2Br)cc1F 2314553950 NTZMPGMXDIVDCL-SNVBAGLBSA-N 464.926 6.175 50 10 JKGE CCCCCCOc1ccc(C=C(C#N)C(=O)Nc2ccccc2OCCCC)cc1OC 2314731910 IEQUCBBTMSTKFD-UHFFFAOYSA-N 450.579 6.379 50 10 JKGE COc1cc(C=C(C#N)c2nc3ccccc3[nH]2)cc([N+](=O)[O-])c1OCc1cc(C)ccc1C 2323839275 ZTUQGPHHKMQNAP-UHFFFAOYSA-N 454.486 5.740 50 10 JKGE CC(C)[C@H]1C[C@H](Br)CN1Cc1ccc(I)c(Br)c1 2325213498 KRNIIUFQAMJXDM-SMDDNHRTSA-N 487.017 5.048 50 10 JKGE COc1ccc(-c2csc(C(C#N)=C(O)c3cc(OC)c(OC)cc3[N+](=O)[O-])n2)cc1C 2331260374 YQUUXDFJXWTRMY-UHFFFAOYSA-N 453.476 5.002 50 10 JKGE CCOc1ccc(C=C(C(O)=C(C#N)c2nc(-c3ccc([N+](=O)[O-])cc3)cs2)c2ccccc2)cc1 2331281193 RPAVSFJNNULPJQ-UHFFFAOYSA-N 495.560 7.150 50 10 JKGE CCCOc1ccc(-c2csc(C(C#N)=C(O)Cc3ccc(OC)c(OC)c3)n2)cc1OCCC 2331293134 WNXNVSYPJYJPAV-UHFFFAOYSA-N 494.613 6.440 50 10 JKGE CC[C@@H](C)[C@H](C(O)=C(C#N)c1nc(-c2ccc(Cl)cc2)cs1)N1C(=O)c2ccccc2C1=O 2331300628 XYUSBCAUZLEKQR-SPLOXXLWSA-N 477.973 5.967 50 10 JKGE CC(C)(C)c1csc(C(C#N)=C(O)[C@H](Cc2ccccc2)N2C(=O)c3ccccc3C2=O)n1 2331308122 NHNQPJFMUPYPAW-FQEVSTJZSA-N 457.555 5.141 50 10 JKGE COc1ccc(C)cc1-c1csc(C(C#N)=C(O)CNC(=O)c2ccc(C(C)(C)C)cc2)n1 2331323012 TURFRXTYUPDMBR-UHFFFAOYSA-N 461.587 5.647 50 10 JKGE COc1cc(C)c(-c2csc(C(C#N)=C(O)C=Cc3ccc(OC(C)=O)c(OC)c3)n2)cc1C 2331402688 GOUHDMNHIOWQFK-UHFFFAOYSA-N 476.554 5.876 50 10 JKGE COc1ccc(-c2csc(C(C#N)=C(O)c3ccc4nc(C)c(C)nc4c3)n2)c2ccccc12 2331408338 ZFBXVNSUTGDGPR-UHFFFAOYSA-N 464.550 6.482 50 10 JKGE COc1cc(C=C(C#N)c2nc(-c3ccccc3OC)cs2)ccc1OC(=O)c1ccccc1 2331436054 HNHOGQYQJBPYTL-UHFFFAOYSA-N 468.534 6.111 50 10 JKGE COc1cc(C)c(-c2csc(C(C#N)=Cc3cccc(Br)c3)n2)cc1C(C)C 2331463659 YGHWYGZMAAPDMV-UHFFFAOYSA-N 453.405 7.077 50 10 JKGE COc1c(C)cc(C)cc1-c1csc(C(C#N)=Cc2ccc(OCc3ccc(C)cc3)cc2)n1 2331469830 ADVNHUYEQPIBFI-UHFFFAOYSA-N 466.606 7.387 50 10 JKGE CC(C=O)=CCC[C@H](C)[C@@H]1CC[C@]2(C)[C@@H]3CC[C@H]([C@](C)(O)CO)[C@]4(CCC(=O)O)C[C@@]34CC[C@]12C 2333304001 XDQDTZXKPKVGKT-FKRCKTDXSA-N 488.709 5.775 50 10 JKGE CC(C)C1CC([C@H](Br)c2c(Cl)cc(Br)c(F)c2Br)C1 2337090072 ILQJTARBVROYII-TYAJBCFHSA-N 477.437 7.122 50 10 JKGE Cc1nc(Br)c([C@H](Br)c2cc(Cl)c(Br)cc2F)n1C 2337320385 YLDWPBMPHRMOMT-SNVBAGLBSA-N 475.381 5.530 50 10 JKGE Clc1cc(I)c([C@H](Br)[C@@H]2CC[C@H]3CCCC[C@@H]3C2)s1 2338773948 SPHWEXNEEMHRGP-ZHSDAYTOSA-N 473.645 7.049 50 10 JKGE Cc1cc(Br)c(F)c(Br)c1[C@H](Br)[C@@H]1CCCC1(F)F 2339646873 VWWCQPXPRZHHNV-OIBJUYFYSA-N 464.945 6.531 50 10 JKGE Cc1cc(Br)c(F)c(Br)c1[C@H](Br)[C@]12CCOC[C@H]1C2 2339657050 UCJQXNBYHJNJKR-ULOPGQLASA-N 456.975 5.522 50 10 JKGE Cc1cc(Br)c(F)c(Br)c1[C@H](Br)C(C(C)C)C(C)C 2339675624 RSNVYPCROZGDQS-CYBMUJFWSA-N 459.035 7.023 50 10 JKGE Fc1cc(OCc2ccc(Cl)cc2I)ccc1CBr 2341028524 WEYABNCDUMISFH-UHFFFAOYSA-N 455.492 5.558 50 10 JKGE Cl[C@H]1CC[C@@H]2[C@@H](CCN2Cc2ccc(I)c(Br)c2)C1 2349852882 LUJYJDPPWPCIPC-SLEUVZQESA-N 454.577 5.036 50 10 JKGE COc1c(Br)cc(C)c([C@H](Br)C[C@@H](C)C(C)(C)C)c1Br 2365189100 RKDICVLQQSKXQY-GHMZBOCLSA-N 471.071 7.037 50 10 JKGE Cc1cc(Br)c(F)c(Br)c1[C@H](Br)C[C@@H]1CCC[C@@H]2C[C@@H]12 2365190302 DBJAKWPKDDMPMZ-WRWGMCAJSA-N 469.030 6.921 50 10 JKGE COc1c(Br)cc(C)c([C@@H](Br)CCC2CC(C)C2)c1Br 2365217480 FFFPIBFUZFQDNW-NHNAUAITSA-N 469.055 6.791 50 10 JKGE Cc1cc(Br)c(F)c(Br)c1[C@@H](Br)[C@H](C)C1CCCCC1 2365222404 CRSLGYCLLADHPJ-YGRLFVJLSA-N 471.046 7.312 50 10 JKGE COc1cc([C@@H](Br)c2c(Br)cc(C)c(Cl)c2C)sc1Cl 2365840742 PFJYETLJPXFUEQ-GFCCVEGCSA-N 459.030 6.927 50 10 JKGE C[C@H](Br)CN(C(=O)c1cccc(Br)c1Br)C1CCCC1 2368865647 NANLWLFGMQNUBQ-JTQLQIEISA-N 468.027 5.380 50 10 JKGE CC(C)(C)[C@@H]1CC[C@H]1CO[C@@H](CI)c1ccc(Br)cc1 2369178401 PHAIQMXTAMWDTL-IMJJTQAJSA-N 451.186 6.014 50 10 JKGE O=C(N[C@H](CCBr)COCc1ccccc1)c1ccc(C(F)(F)F)c(Cl)c1 2369431162 NOYPNSGHSHYWJC-OAHLLOKOSA-N 464.709 5.459 50 10 JKGE CC(C)(C)OC(=O)N1CCC(CBr)(OCc2cccc(C(F)(F)F)c2)CC1 2381380235 MCOINJXFOVMTQY-UHFFFAOYSA-N 452.311 5.387 50 10 JKGE COc1cc(C=NNC(=O)c2ccc3ccccc3c2)ccc1Oc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] 9259303 OOZBJSZGBYYKAE-UHFFFAOYSA-N 486.440 5.221 50 10 JKGE CC[C@H](C)c1ccc(OCC(=O)NNC(=O)[C@@H](CC)Oc2ccc(-c3ccccc3)cc2)cc1 14768867 HOKZPVNSNYKEBO-RXFWQSSRSA-N 460.574 5.251 50 10 JKGE CCOc1cc(/C=C(\C#N)c2nc3ccccc3s2)ccc1Oc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] 27498547 NMNSPDHKFNDTEQ-LFIBNONCSA-N 488.481 6.368 50 10 JKGE CCCOc1ccccc1[C@@H]1C(C#N)=C(N)Oc2cc(OC(=O)c3cccc(Cl)c3)ccc21 38681774 UYLFLKCMRKEEFS-DEOSSOPVSA-N 460.917 5.566 50 10 JKGE CCCOc1cccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)COc4ccc(C)c(C)c4)ccc32)c1 38684466 GCXUEEFWCQTTHZ-NDEPHWFRSA-N 484.552 5.295 50 10 JKGE Cc1c(C(=O)Nc2ccccc2C(F)(F)F)oc2c1/C(=N/NC(=O)c1ccc(F)cc1)CCC2 40811892 PLPBNGAHZCRKLE-UXHLAJHPSA-N 473.426 5.469 50 10 JKGE CCOc1ccc([C@H](O)CCC(=O)N/N=C\c2ccc(OCc3ccccc3Cl)cc2)cc1 58893691 ZZACQQYGMVCHSL-YNAQZEJMSA-N 466.965 5.282 50 10 JKGE COC(=O)c1c(-n2c(C)cc(/C=C(\C#N)C(=O)Nc3ccc(F)cc3)c2C)sc2c1CCCC2 59535056 HZSGHCQBCUBALO-QGOAFFKASA-N 477.561 5.506 50 10 JKGE C=CCNC(=O)/C(C#N)=C1\S[C@H](Cc2cccc(Cl)c2)C(=O)N1c1ccc(C(C)C)cc1 101241556 VJSSOKRNRGLIPN-CKVBZJJFSA-N 466.006 5.192 50 10 JKGE Cc1cc(-c2nn(-c3ccccc3)cc2/C=C(/C#N)C(=O)NC[C@@H]2CCCO2)ccc1OCCC(C)C 102679113 RLJJPSYUXMVODY-VEOZPNHKSA-N 498.627 5.475 50 10 JKGE N#C/C(=C/Nc1ccc(Oc2ccccc2)cc1)c1nc(-c2cc3ccccc3oc2=O)cs1 102937603 VGOAKSOOWITDIA-MNDPQUGUSA-N 463.518 6.685 50 10 JKGE Cl[C@@H](Cc1ccc(Br)cc1)c1cc(Br)sc1Br 109825532 NYZCDBPCRKPTJG-JTQLQIEISA-N 459.428 6.558 50 10 JKGE Clc1ccc(C[C@H](Br)c2csc(I)c2)cc1Cl 123484828 HLTLVXFYILKQBG-VIFPVBQESA-N 461.977 6.338 50 10 JKGE C[C@@H](Cl)c1nc2cc(Cl)c(Cl)cc2n1-c1ccccc1I 125168506 FVDBILGTQHEBQB-MRVPVSSYSA-N 451.522 6.237 50 10 JKGE CCCCOc1ccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)/C=C\c4ccccc4)ccc32)cc1 205642824 IUZKZBMPLFQWBJ-DVJUNSDPSA-N 466.537 5.702 50 10 JKGE CCOc1ccc(/C=C(/C#N)C(=O)Nc2sc(=S)c3c(c2C#N)CC[C@@H](C)C3)cc1OC 207206572 YNNMOAAEFUDCSU-KWZJRMENSA-N 465.600 5.427 50 10 JKGE COc1c(C)cc(P(c2cc(C)c(OC)c(C)c2)[c-]2[cH-][cH-][cH-][c-]2[C@@H](c2ccccc2)N(C)C)cc1C 224842654 FAWPQJKKZVVYEP-SSEXGKCCSA-N 498.627 6.066 50 10 JKGE O=[N+]([O-])c1ccc(Br)c(Oc2ccc(CBr)cc2Br)c1 232486881 MVGFIBPCTXCKEL-UHFFFAOYSA-N 465.923 5.807 50 10 JKGE COc1ccc(C=NNC(=O)c2cc(-c3cccc(OC(C)C)c3)nc3ccccc23)c(OC)c1OC 252629890 UPRVKUCPTIWYHO-UHFFFAOYSA-N 499.567 5.479 50 10 JKGE 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@@]12C 254312574 XSXHTVGXMMGURA-DCNSCTQHSA-N 483.575 6.813 50 10 JKGE O=C(NN=Cc1cn(-c2cccs2)nc1-c1ccccc1)c1ccccc1Br 254381865 RFLPYUZJKWECKD-UHFFFAOYSA-N 451.349 5.127 50 10 JKGE aggregator O=C(CN1CCn2c3c(c4cc(C5CCCCC5)ccc42)CCC[C@H]31)NN=Cc1ccccc1F 254766461 USKCAKINUZECDZ-HHHXNRCGSA-N 472.608 5.671 50 10 JKGE Cc1ccc(COc2ccc(C=NNC(=O)CSc3nnc(-c4ccccc4)s3)cc2)cc1 256028379 INQACHMXDMLZDZ-UHFFFAOYSA-N 474.611 5.335 50 10 JKGE Brc1cc2c(cc1[C@@H](Br)c1cccc(OCc3ccccc3)c1)CCO2 308439189 VHIMTOPWEAYNIJ-QFIPXVFZSA-N 474.192 6.447 50 10 JKGE Clc1sc([C@@H](Br)c2ccc(OCc3ccccc3)cc2)cc1Br 309963124 JLAMKNJEKWZISZ-KRWDZBQOSA-N 472.629 7.227 50 10 JKGE CC(C)SCCC(CBr)(CBr)c1ccc(Br)cc1 310640055 BXCJDGPDYJWVSK-UHFFFAOYSA-N 459.085 6.008 50 10 JKGE C[C@H](Cl)c1nc2cc(I)c(F)cc2n1[C@@H]1CCN(Cc2ccccc2)C1 311648535 SYJVQIMVYLZDCM-DZGCQCFKSA-N 483.756 5.527 50 10 JKGE Fc1cc(Br)cc([C@@H](Cl)c2scc(C(F)(F)F)c2Br)c1 312988314 RUHIKIHRIGZPQH-SNVBAGLBSA-N 452.492 6.759 50 10 JKGE C[C@H](Cl)c1nc2ccncc2n1-c1ccc(I)cc1Br 313066308 UTGYBMXWGMRLFN-QMMMGPOBSA-N 462.516 5.087 50 10 JKGE Cc1ccc2nc(CCl)n(-c3cc(I)ccc3Br)c2c1 380229060 LDKFHDHHMSIXRW-UHFFFAOYSA-N 461.528 5.440 50 10 JKGE COc1cc(Cl)c([C@H](Br)c2sccc2I)cc1Cl 381343988 LEHXNIOZHGKTRP-NSHDSACASA-N 477.976 6.152 50 10 JKGE C[C@@H]1CN(Cc2ccccc2)C[C@H]1n1c(CCCl)nc2cc(I)ccc21 389775119 CCMVUCHNHVUGCQ-FOIQADDNSA-N 479.793 5.115 50 10 JKGE Fc1cc([C@H](Br)c2ccc(Br)cc2Br)c(F)c(F)c1F 395623161 YHJIBUGKSQWTMZ-SNVBAGLBSA-N 476.887 6.252 50 10 JKGE CC[C@H](CC(F)(F)F)[C@H](Br)c1cc(Br)c(Br)s1 402630778 MJZGZXDLDMRXSL-XRGYYRRGSA-N 458.963 6.688 50 10 JKGE Clc1ccc(Br)cc1[C@@H](Br)c1cc(Cl)c(Cl)c(Cl)c1Cl 405110464 ZJOKPPZJMBPHPT-SNVBAGLBSA-N 498.256 8.200 50 10 JKGE Brc1ccc([C@@H](Br)c2cc(Br)c3c(c2)CCCO3)s1 689526364 HZAZCHGBVFHZEF-ZDUSSCGKSA-N 467.020 6.082 50 10 JKGE FC(F)(F)c1ccc(Cl)c([C@@H](Cl)c2cc(Br)sc2Br)c1 695018099 XUBLYXFNHWOANR-SNVBAGLBSA-N 468.947 7.274 50 10 JKGE C[C@H](Cl)c1nc2cc(I)ccc2n1[C@@H]1CN(Cc2ccccc2)CC[C@H]1C 716301739 RCPCWKRAMXTWRT-VWKPWSFCSA-N 493.820 6.024 50 10 JKGE O=C(N[C@@H](CCBr)C1CCCC1)c1cc(Br)ccc1Br 725036852 IIOQLRIRHOROEK-AWEZNQCLSA-N 468.027 5.285 50 10 JKGE Cc1ccc(C)c(NC(=O)/C(C#N)=C\c2cc(Br)ccc2OCc2ccc(Cl)cc2)c1 1084252483 QQXJNMBKFMKAPA-NDENLUEZSA-N 495.804 6.844 50 10 JKGE Cc1ccc(NC(=O)C(=O)NN=Cc2cccc(OCc3ccc(Cl)cc3Cl)c2)cc1Cl 1084602760 NTDACSLEKUWYFP-UHFFFAOYSA-N 490.774 5.623 50 10 JKGE O=C(CCBr)Nc1ccccc1SCc1noc(-c2ccc(Cl)cc2)n1 1615948335 FWBOBZRNZBQYIR-UHFFFAOYSA-N 452.761 5.406 50 10 JKGE Cc1ccc(C(=O)NN=C2CCCc3oc(C(=O)Oc4cccc5ccccc45)c(C)c32)cc1 1772745006 QBZLTBRECIDDJD-UHFFFAOYSA-N 452.510 5.739 50 10 JKGE COc1cc(C=NNC(=O)CSc2ccc(Cl)cc2)ccc1OCc1ccccc1C 1772756255 QITFUYLDIZHNOZ-UHFFFAOYSA-N 454.979 5.478 50 10 JKGE CCCc1nn(Cc2ccc(Cl)c(Cl)c2)c2c1[C@H](c1ccc(O)cc1)C(C#N)=C(N)O2 1865683283 CDORCGJZZVMZRP-HXUWFJFHSA-N 455.345 5.114 50 10 JKGE COc1ccc(-c2nn(Cc3ccc(F)cc3)c3c2[C@@H](c2ccc(C(C)C)cc2)C(C#N)=C(N)O3)cc1 1865685128 FYYJEYNKFWLDCR-SANMLTNESA-N 494.570 6.088 50 10 JKGE CCCc1nn(Cc2ccccc2Cl)c2c1[C@@H](c1ccc(OCC)c(OCC)c1)C(C#N)=C(N)O2 1865689294 OVUAGNKOKTUNGG-DEOSSOPVSA-N 493.007 5.553 50 10 JKGE CCCc1nn(-c2ccc(Br)cc2)c2c1[C@@H](c1cc(Cl)ccc1O)C(C#N)=C(N)O2 1865689322 PLKKPVINNDGYMA-IBGZPJMESA-N 485.769 5.164 50 10 JKGE CC(C)Oc1ccccc1[C@H]1C(C#N)=C(N)Oc2c1c(-c1ccccc1)nn2-c1ccccc1Cl 1865705088 LTQLLYSRWHZUDR-DEOSSOPVSA-N 482.971 6.198 50 10 JKGE CCCc1nn(-c2ccc(Cl)c(Cl)c2)c2c1[C@H](c1ccc(OC)c(OC)c1)C(C#N)=C(N)O2 1865707261 RZBCGNAVZFLFEL-OAQYLSRUSA-N 485.371 5.367 50 10 JKGE Cc1ccc(C)c(Cn2nc(-c3ccccc3)c3c2OC(N)=C(C#N)[C@@H]3c2ccc([N+](=O)[O-])cc2)c1 1865713042 PMVBVMZPPWDTOR-DEOSSOPVSA-N 477.524 5.342 50 10 JKGE N#CSc1ccc(NC(=O)[C@@H](Cc2ccccc2)NC(=O)C[C@H](c2ccccc2)C2CC2)cc1 1866729703 NOWZIYRQGQIHSE-CLJLJLNGSA-N 469.610 5.510 50 10 JKGE CCCc1nc(Nc2ccc(SC#N)cc2)cc(N2C[C@H](C)N(c3ccccc3)[C@H](C)C2)n1 1868388862 NFRKUQMIGJWMKM-BGYRXZFFSA-N 458.635 5.849 50 10 JKGE COc1ccc(/C=C2\Oc3cc(OCc4ccc(CCl)cc4)cc(C)c3C2=O)c(OC)c1 1871436621 HXCKUVHUPHGMBU-MYKKPKGFSA-N 450.918 5.946 50 10 JKGE COc1cc(/C=C(\C#N)c2ncccc2[N+](=O)[O-])ccc1OCc1c(Cl)cccc1Cl 1872728940 CCBGRMBYYIXMDA-XNTDXEJSSA-N 456.285 5.948 50 10 JKGE COc1ccc(-c2csc(/C(C#N)=C(\O)[C@@H](C(C)C)N3C(=O)c4ccccc4C3=O)n2)cc1C 1872746305 BMBPDNJATVZQDL-SXKPWUIASA-N 473.554 5.241 50 10 JKGE CCOc1ccc(-c2csc(/C(C#N)=C(\O)Cc3cc(Cl)ccc3Cl)n2)c(OCC)c1 1872755196 CLGMJMMIQPSVHY-UZYVYHOESA-N 475.397 6.950 50 10 JKGE COc1cc(Cl)c(C)cc1-c1csc(/C(C#N)=C(\O)[C@H](C)Oc2ccc(Cl)cc2)n1 1872756875 FPSSRZXYTIFKEG-ZCBJIMFGSA-N 461.370 6.694 50 10 JKGE COc1ccccc1-c1csc(/C(C#N)=C/c2cccc(OC)c2OCc2cccc(C)c2)n1 1872784340 LLPWFJWWAKLOLP-PXLXIMEGSA-N 468.578 6.779 50 10 JKGE Clc1c(Br)sc(Br)c1[C@H](Br)[C@@H]1C[C@@H]1Br 1877359626 MBVMQJKMXZZVKQ-HFDJDUASSA-N 488.264 6.146 50 10 JKGE COc1cc([C@H](Br)c2sc(Br)cc2Br)cc(OC)c1C 1922953597 FQIMDIPBRFJCOY-ZDUSSCGKSA-N 485.035 6.083 50 10 JKGE Clc1c(Br)sc(Br)c1[C@H](Br)C1C2(CC2)C12CC2 1923061326 KCVSTNQSOHWANO-LURJTMIESA-N 461.444 6.553 50 10 JKGE CCn1ncc(Br)c1[C@@H](Br)[C@H](C)c1ccncc1Br 1924065918 ACVYCWNPRDKFMI-PELKAZGASA-N 451.988 5.063 50 10 JKGE Cl[C@H](c1c(Br)sc(Br)c1Br)[C@]12CCCC[C@@H]1C2 1924608226 FQXMMAQNSWZAEJ-JSTDYGSISA-N 463.460 6.896 50 10 JKGE CC1(NC(=O)c2cc(Br)cc(Br)c2)CCC(Br)CC1 1924734324 ZFDRKZSDWZBEPY-UHFFFAOYSA-N 454.000 5.038 50 10 JKGE Brc1nscc1[C@@H](Br)c1csc2c(Br)cccc12 1925248279 PCOQNJHEVOFZOB-JTQLQIEISA-N 468.033 6.367 50 10 JKGE Fc1ccc(Cl)c([C@@H](Br)c2c(Cl)sc(Br)c2Cl)c1 1925587014 FYFFYEPVZDQYEN-MRVPVSSYSA-N 453.385 7.094 50 10 JKGE Cl[C@@H](Cc1ccc(Br)cc1)c1csc(Br)c1Br 1945183294 BRXJARKLKYCAIP-JTQLQIEISA-N 459.428 6.558 50 10 JKGE Brc1cc([C@H](Br)C2(Br)CCC2)sc1Br 1956593562 NMTVGUBTYLOEAM-ZETCQYMHSA-N 467.846 6.027 50 10 JKGE CC(C)CN(Cc1ccccc1)S(=O)(=O)c1ccc(Br)c(CBr)c1 2009709952 CNMZMLAFVRGDJS-UHFFFAOYSA-N 475.246 5.191 50 10 JKGE CCn1cc(Br)c([C@@H](Br)c2cc(Cl)c(Br)s2)n1 2010561164 GFCFXXGPRMHEGI-QMMMGPOBSA-N 463.420 5.627 50 10 JKGE Cc1c(Br)ccc([C@H](Cl)c2cscc2OCc2ccccc2)c1Br 2024280443 YTLKKASYJVBIIP-IBGZPJMESA-N 486.656 7.489 50 10 JKGE Cc1cc(C)c([C@H](Br)c2ccc(Br)cc2I)s1 2026220433 DSFDBNAJPMNRHM-GFCCVEGCSA-N 486.010 6.216 50 10 JKGE Brc1cc([C@H](Br)[C@]23CCCC[C@H]2OCC3)sc1Br 2031753553 ZZQJJPYBDNEZFN-MDZLAQPJSA-N 459.041 6.058 50 10 JKGE COc1sc([C@@H](Br)c2cc(Cl)ccc2Br)cc1Br 2034629121 KPBJNWACPIGHKG-NSHDSACASA-N 475.427 6.419 50 10 JKGE 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)C3=C[C@H](Cl)[C@@]2(O)C1 2037547961 JIXRSUPPSOBQSS-YTWJHUNYSA-N 491.156 7.314 50 10 JKGE CCN(CC)c1ccc(C=C2CCC(C=NNC(=O)Nc3ccccc3)=C2N2CCOCC2)cc1 2040464778 BSPYRKURPAOLAV-UHFFFAOYSA-N 473.621 5.104 50 10 JKGE O=C(NN=CC1=C(N2CCOCC2)C(=Cc2ccc(Cl)cc2)CC1)Oc1ccc2ccccc2c1 2040465308 HYPLOMFIBVMZRQ-UHFFFAOYSA-N 487.987 6.031 50 10 JKGE COC1CC(CC[C@@H](Br)c2sc(Br)c(C)c2Br)C1 2042740518 AGTLYEXAHNVSEP-UDNWOFFPSA-N 461.057 6.223 50 10 JKGE CSC=C(NC(=O)c1ccccc1)[P+](c1ccccc1)(c1ccccc1)c1ccccc1 2043714065 YIWJRKOZCJNGKP-UHFFFAOYSA-O 454.555 5.572 50 10 JKGE Brc1cc([C@H](Br)[C@@H]2CCn3nccc3C2)c(Br)s1 2046627548 PDTUJVHJQOFSSV-RDDDGLTNSA-N 455.013 5.168 50 10 JKGE FC(F)(F)c1ccc(Cn2nc(CCl)c(I)c2C(F)(F)F)cc1 2079210325 OICUKSWZPYNGDR-UHFFFAOYSA-N 468.566 5.312 50 10 JKGE BrC[C@@H](Cc1cccc(Br)c1)Cc1cc(Br)sn1 2084086583 SNGWODKXKCBNSI-JTQLQIEISA-N 454.025 5.464 50 10 JKGE Brc1cc(Br)c([C@H](Br)[C@H]2C[C@H]3COC[C@H](C3)C2)s1 2085743764 MRFUXOCYBWFPRL-JXVAYASWSA-N 459.041 5.772 50 10 JKGE BrC[C@@]1(Cc2ccc(Br)cc2Br)CCO[C@H]1C1CC1 2092259952 CCHJXRMTPJXISY-GJZGRUSLSA-N 453.012 5.334 50 10 JKGE CCn1ncc(Br)c1[C@@H](Br)c1ccc(C)c(Br)c1C 2094274653 MVORIUDOHNZKRD-ZDUSSCGKSA-N 451.000 5.529 50 10 JKGE COc1sc([C@H](Br)Cc2ccc(Br)cc2F)cc1Br 2095771717 CRPHATKETCIVRM-SECBINFHSA-N 472.999 6.100 50 10 JKGE O=C(c1cc(Br)sc1Br)N1[C@H]2CCC[C@@H](Br)[C@H]1CC2 2097812371 QCKFOGQUPVIECX-FXBDTBDDSA-N 472.040 5.194 50 10 JKGE ClCc1nc2cc(Br)c(Cl)cc2n1[C@@H]1CCCN(Cc2ccccc2)C1 2103623375 KLQJIDKSZLAZGY-OAHLLOKOSA-N 453.211 6.028 50 10 JKGE Clc1cc([C@H](Cl)c2cc(Br)c(Cl)s2)c(Cl)c(Cl)c1Cl 2115932843 YTDSDTLMLVCFTB-ZETCQYMHSA-N 459.834 8.106 50 10 JKGE O=C(c1csc(Br)c1Br)N1[C@H]2CC[C@@H]1C[C@@H](CBr)C2 2128149485 JRSJIEDAKBMOIM-PSVAKVPMSA-N 472.040 5.051 50 10 JKGE Cc1cc(Br)c(C)c([C@@H](Br)[C@@]23CC[C@@H](CO2)C3)c1Br 2136382226 POTWNFMUWTWBGB-KMUNFCNLSA-N 453.012 5.834 50 10 JKGE CC(C)CC1([C@H](Br)c2ccc(Br)cc2Br)CCCC1 2138851192 JKYVJNSSYFMOIX-OAHLLOKOSA-N 453.056 7.254 50 10 JKGE CC1(C)C[C@H]([C@H](Br)c2ccc(Br)cc2Br)C(C)(C)O1 2138854420 ZLCXWNRALXJXJF-DGCLKSJQSA-N 455.028 6.241 50 10 JKGE CCCN[C@H](c1ccc(Br)c(C)c1Br)[C@H]1C[C@@H](Br)C1 2138872894 VFUATXNBSKOTCS-RWSFTLGLSA-N 454.044 5.734 50 10 JKGE Cc1sc(Br)c([C@H](Cl)c2cc(Cl)c(Cl)c(Cl)c2Cl)c1C 2157254013 BINZTOLKDBALDU-SECBINFHSA-N 453.443 8.069 50 10 JKGE C[C@@H](Cl)c1nc2cc(Br)c(Cl)cc2n1Cc1ccn(Cc2ccccc2)n1 2160078078 FHHCQOIBLZOWRM-CYBMUJFWSA-N 464.194 6.045 50 10 JKGE COc1ccc(C[C@@H](Br)c2ccc(F)cc2I)cc1F 2168403083 LFVJIYMOQOMZLN-GFCCVEGCSA-N 453.064 5.257 50 10 JKGE C[C@@H]1[C@H](Br)CCC[C@H]1c1sc(Br)c(Br)c1Br 2212201398 WUEHKGWMIFZYJS-RRKCRQDMSA-N 495.900 6.703 50 10 JKGE C[C@@H](CC(C)(C)C)[C@@H](Br)c1c(Br)cc(Cl)c(Cl)c1Cl 2224317640 PMHRLRXCJSHACI-WRWORJQWSA-N 451.457 7.918 50 10 JKGE Clc1c(Br)sc(Br)c1[C@H](Br)[C@@H]1C[C@H]2CCC[C@H](C2)C1 2225322073 PZDFIUQEJMAKED-UYAYMFIHSA-N 491.514 7.579 50 10 JKGE C[C@H](C[C@H](Br)c1cc(Br)c(Br)cc1F)CC(C)(C)C 2225618682 ZKUHGCPFZSPARR-KOLCDFICSA-N 459.035 7.249 50 10 JKGE Cc1cc(Br)c([C@H](Br)C2[C@H]3CCCC[C@H]23)c(C)c1Br 2227348006 LNODGVCFZVHAHI-MMPTUQATSA-N 451.040 6.701 50 10 JKGE Cc1cc(Br)c([C@H](Br)c2ccccc2F)c(C)c1Br 2227349352 RIRFZRWSRVGUBJ-OAHLLOKOSA-N 450.971 6.452 50 10 JKGE COc1cc(Br)c([C@H](Br)c2ccc(OCc3ccccc3)cc2)cc1C 2227723421 JHXQGTDERPSEAE-JOCHJYFZSA-N 476.208 6.829 50 10 JKGE CCN(C[C@](C)(CI)O[C@H]1CCCC[C@H]1C(F)(F)F)C(=O)OC(C)(C)C 2231399034 IGROEEBTKQZGHK-KEYYUXOJSA-N 493.348 5.575 50 10 JKGE CC1(C)CCC([C@@H](Br)c2c(Br)cc(Cl)c(Cl)c2Cl)CC1 2232527524 OFTVCOUEGWOJPC-GFCCVEGCSA-N 463.468 8.062 50 10 JKGE FC(F)(F)[C@@H]1CC[C@H]1[C@H](Br)c1c(Br)cc(Cl)c(Cl)c1Cl 2232580838 KKPBIBMDZKRIOZ-OJFKHTATSA-N 475.357 7.434 50 10 JKGE C[C@@H](Cl)c1nc2c(Br)cc(F)cc2n1C[C@@H]1CC1(Br)Br 2233037140 AHBCPHYXQOGNEV-RQJHMYQMSA-N 489.408 5.744 50 10 JKGE COc1cc(F)ccc1[C@@H](Br)c1cc(Br)c(C)cc1Br 2233991450 CPARYGZGLKWZCI-OAHLLOKOSA-N 466.970 6.152 50 10 JKGE CC1(C)CCC[C@@H]([C@@H](Br)c2c(Br)cc(Cl)c(Cl)c2Cl)O1 2235163091 XRTLEVGEBIJVDQ-GXSJLCMTSA-N 465.440 7.193 50 10 JKGE CC[C@@H](CC(F)(F)F)[C@H](Br)c1c(Br)cc(C)c(Br)c1C 2235609375 NIYPJKNMLZFGCU-ZANVPECISA-N 480.988 7.243 50 10 JKGE Fc1cc(Cl)c([C@@H](Br)c2sccc2Br)cc1Br 2249414129 PXRHRZVWUUURJF-SNVBAGLBSA-N 463.391 6.550 50 10 JKGE Clc1c(Br)csc1[C@@H](Br)c1cc(Br)cc2c1OCC2 2264607515 NEWHYIANYGGZPO-JTQLQIEISA-N 487.438 6.346 50 10 JKGE Fc1cc(Br)c(F)c(Br)c1[C@H](Br)[C@@H]1C[C@@H]2C[C@H]2CO1 2272747542 LGGNAJMJLXRCER-JXFNMTJHSA-N 460.938 5.351 50 10 JKGE CS(=O)(=O)c1csc([C@@H](Br)c2cc(Br)c(F)cc2Cl)c1 2285985659 LFKGKKSEROIXEV-LBPRGKRZSA-N 462.587 5.191 50 10 JKGE COc1ccc(Br)c2c1nc([C@H](C)Cl)n2C[C@@H](C)N(C)Cc1ccccc1 2286086069 XEIJEXYQRPILEX-CABCVRRESA-N 450.808 5.628 50 10 JKGE N#CC(=Cc1ccc(-c2ccccc2Br)o1)c1nc2cc(Br)cnc2[nH]1 2293826940 VBDFDLBFABPOGI-UHFFFAOYSA-N 470.124 5.807 50 10 JKGE C=CCOc1c(Br)cc(C=C(C#N)C(=O)N[C@@H](C)c2ccccc2)cc1Br 2294522406 ZPJWOWAJNFQABW-AWEZNQCLSA-N 490.195 5.561 50 10 JKGE COc1cccc([C@@H](Br)c2cc3sc(Br)cc3s2)c1Cl 2295501690 VAVYHAKTCQCWDJ-CYBMUJFWSA-N 452.620 6.872 50 10 JKGE CCOC(=O)c1c(-c2ccc(Br)cc2)csc1NC(=O)C(C#N)=Cc1cnn(CC)c1 2295672679 PVBSPPWOSJJWCK-UHFFFAOYSA-N 499.390 5.116 50 10 JKGE Cc1cc(C=C(C#N)C(=O)OCC(=O)Nc2cc(C(F)(F)F)ccc2Cl)c(C)n1CC(C)C 2297363950 GZIKQUXGHQNQIS-UHFFFAOYSA-N 481.902 5.522 50 10 JKGE CC(C)(C)C(C)(C)[C@H](Br)c1cc(Br)ccc1OCc1ccccc1 2299496467 UGECXGJTNFZXEC-LJQANCHMSA-N 454.246 7.536 50 10 JKGE Fc1cc(Cl)ccc1[C@@H](Br)c1sc(Cl)cc1I 2300952922 BYPWGKUGGWMLCB-SNVBAGLBSA-N 465.940 6.283 50 10 JKGE CC(C)(C)[C@@H](CBr)COc1cc(Br)cc(I)c1 2301040102 UKNNEUHNGRJIRC-VIFPVBQESA-N 475.990 5.490 50 10 JKGE CN(C)C(=O)C(C#N)=Cc1cc(-c2ccccc2)n(-c2ccc([N+](=O)[O-])cc2)c1-c1ccccc1 2313567167 HRBHHRLSPUJKIV-UHFFFAOYSA-N 462.509 5.715 50 10 JKGE Cc1cc(C=C(C#N)C(=O)N(C)C)c(C)n1-c1ccc(OCc2ccc(Cl)cc2Cl)cc1 2313568177 PBYKWWIBKNJZCC-UHFFFAOYSA-N 468.384 5.975 50 10 JKGE CCOc1ccc(NC(=O)C(C#N)=Cc2cccc(OCc3ccc(Cl)cc3Cl)c2)cc1 2313738813 QTLNTEPXYLUGOL-UHFFFAOYSA-N 467.352 6.517 50 10 JKGE COCC1([C@@H](Br)c2ccc(OCc3ccccc3)cc2Br)CCCC1 2314439991 LPJRMBRFMBSDHQ-FQEVSTJZSA-N 468.229 6.671 50 10 JKGE COc1ccc(CCN2C(=O)C(=CNc3ccc(-c4ccccc4)cc3)C(C)=C(C#N)C2=O)cc1 2314579463 UFBONGQXPZSGEI-UHFFFAOYSA-N 463.537 5.110 50 10 JKGE N#CC1=C(N)Oc2cc(OC(=O)C=Cc3ccccc3Cl)ccc2[C@@H]1c1ccccc1Cl 2314634085 KXHPPBNNZHHNAP-DEOSSOPVSA-N 463.320 5.830 50 10 JKGE CCCCOc1ccc(C=C(C#N)C(=O)Nc2sc3c(c2C(=O)OCC)[C@@H](C)CCC3)cc1 2314754717 ZEJOIPQXMCHZLD-KRWDZBQOSA-N 466.603 6.089 50 10 JKGE CCCOc1ccccc1C=C(C#N)C(=O)Nc1scc(-c2ccc(C)c(C)c2)c1C(=O)OCC 2314773924 JKIPGBXCHVRSSL-UHFFFAOYSA-N 488.609 6.543 50 10 JKGE Fc1c(Br)cc(Cl)c([C@@H](Cl)c2cc(Br)sn2)c1Br 2315444647 CCEOCPIPRHDJQI-VIFPVBQESA-N 498.824 6.551 50 10 JKGE C[C@@]1([C@H](Br)c2sc(Cl)cc2I)CCCC(F)(F)C1 2316597461 RXLBCBRMJNZOBS-GHMZBOCLSA-N 469.560 6.658 50 10 JKGE Cc1nc(-c2ccc(F)c(F)c2)ccc1C(=O)NNC(=O)C=Cc1cccc(OCc2ccccc2)c1 2321073267 NEUYZQBFAFXUBS-UHFFFAOYSA-N 499.517 5.389 50 10 JKGE Clc1cc(Br)c(C[C@H](CBr)c2ccccc2Br)s1 2322540842 NARDFIFRQZMYJB-MRVPVSSYSA-N 473.455 6.648 50 10 JKGE COc1cccc(C=C(C#N)c2nc3cc(C)ccc3n2C)c1OCc1c(Cl)cccc1Cl 2331018491 AKYMSXXUOYCMLR-UHFFFAOYSA-N 478.379 6.840 50 10 JKGE COc1cc(C=C(C#N)c2nc(-c3ccc(-c4ccccc4)cc3)cs2)cc(OC)c1OC 2331414046 AZIJVZZMTWUVMT-UHFFFAOYSA-N 454.551 6.567 50 10 JKGE Cc1ccc(COc2ccc(C=C(C#N)c3nc(-c4ccc5c(c4)OCCO5)cs3)cc2)cc1 2331451219 CMNAHWSYKJIQQN-UHFFFAOYSA-N 466.562 6.533 50 10 JKGE Cc1ccccc1COc1ccc(C=C(C#N)c2nc(-c3ccc(C(C)(C)C)cc3)cs2)cc1 2331453678 VGTCCAGZPWEIJS-UHFFFAOYSA-N 464.634 8.059 50 10 JKGE CCCc1sc(Br)cc1[C@H](Cl)c1cc(C)ccc1I 2338020103 LGQTWIPPSHFPDD-OAHLLOKOSA-N 469.613 6.704 50 10 JKGE Cc1cc(Br)c(F)c(Br)c1[C@@H](Br)C1C(C)(C)C1(C)C 2339645206 GDYFBRAEMIITGY-LLVKDONJSA-N 457.019 6.777 50 10 JKGE Fc1cccc(C[C@H](Br)c2ccc(Cl)cc2I)c1F 2340059983 ZABMZWDMQIDFBO-NSHDSACASA-N 457.483 5.902 50 10 JKGE Clc1ccc(CO[C@@H]2C[C@@H](Br)C23CCCC3)c(I)c1 2340110580 RHBNXKZGZSOLOC-ZIAGYGMSSA-N 455.561 5.557 50 10 JKGE Clc1cc(Cl)cc(CC[C@@H](Br)c2cc(Cl)c(Br)s2)c1 2341116426 KHJLAJQAFDSMIH-SNVBAGLBSA-N 463.449 7.540 50 10 JKGE ClCCN(Cc1ccc(I)c(Br)c1)C1CCCCC1 2349829703 PMWXZKBMCSUISV-UHFFFAOYSA-N 456.593 5.427 50 10 JKGE BrC[C@H]1C[C@@H]2CCCC[C@@H]2N1Cc1cc(Br)ccc1Br 2358953565 DJDLSZLHJUYRLF-PEYYIBSZSA-N 466.055 5.740 50 10 JKGE BrCc1cc(Br)cc(Br)c1OC[C@@H]1CC[C@@H]2C[C@H]1CO2 2359050685 OWMINWNLEUEGBR-XHVZSJERSA-N 469.011 5.300 50 10 JKGE Fc1cc(Cl)c(Br)c(Cl)c1[C@@H](Br)[C@]12COC[C@H]1C2(F)F 2360422696 UVJRDOHHLVTNAV-PFZYVWIYSA-N 454.895 5.613 50 10 JKGE Cc1cc(Br)c(CCl)c(OCc2c(Br)cccc2Br)c1 2366214023 FWEKSABJEDAGJI-UHFFFAOYSA-N 483.425 6.600 50 10 JKGE Fc1cc(Br)c(F)c(Br)c1[C@H](Br)C[C@@H]1CC[C@@H]1C1CC1 2368175771 AWQQPLOEZNSKTB-IVZWLZJFSA-N 472.993 6.752 50 10 JKGE CC1(C)CC(CBr)(CN2CCCC[C@@H]2C(F)(F)CNC(=O)OC(C)(C)C)C1 2371132291 ZEADRSBCQQSITQ-OAHLLOKOSA-N 453.412 5.202 50 10 JKGE Cc1cc(Br)c(C(C)C)cc1[C@H](Br)c1cn(C)c(Br)n1 2380941633 IWGXOCZFAVJVTA-AWEZNQCLSA-N 465.027 5.861 50 10 JKGE Cc1ccc(C[C@@H]2S/C(=C(\C#N)C(=O)Nc3ccccc3)N(c3ccccc3)C2=O)cc1Cl 2377469 OFPNWAGYOLPOBI-CTHAODRQSA-N 473.985 5.713 50 10 JKGE N#CC1=C(N)N2C(=C(C#N)[C@@H]1c1ccc(-c3cccc(C(F)(F)F)c3)o1)Sc1ccccc12 2420728 BYUYDSWVFKEELK-OAQYLSRUSA-N 462.456 6.104 50 10 JKGE COc1ccc(/C=N/NC(=O)CSc2ccc(C)cc2)cc1CN1CCCc2ccccc21 3064517 OVIDBWAKXARHIY-OGLMXYFKSA-N 459.615 5.199 50 10 JKGE CC[C@@H](Oc1ccccc1[C@H](C)CC)C(=O)NNC(=O)COc1ccc(-c2ccccc2)cc1 10683695 JVBYGKUFWCZYIG-CJFMBICVSA-N 460.574 5.251 50 10 JKGE Cc1ccc(C)c(CS/C(Nc2c(C)cccc2C)=C(\C#N)S(=O)(=O)c2ccccc2)c1 20325037 LIFHHPVYKGYBAY-SHHOIMCASA-N 462.640 6.432 50 10 JKGE CCC[C@@H](C)c1ccc(OCC(=O)N/N=C/c2cn(-c3ccccc3)nc2-c2ccc(C)cc2)cc1 20581791 SPSOUIFCPRULLF-YCUXBXLJSA-N 480.612 6.280 50 10 JKGE Cc1cc(SC(F)(F)[C@@H](F)Cl)c(C)cc1NC(=O)NC(=O)c1c(F)cccc1F 31500175 VXBBMNJAOLLIKY-MRXNPFEDSA-N 452.832 5.763 50 10 JKGE CCOC(=O)c1c(NC(=O)/C(C#N)=C\c2ccc(-c3ccc(Cl)c([N+](=O)[O-])c3)o2)sc(C)c1C 33628528 IHUAKWBPOLLXIM-DHDCSXOGSA-N 499.932 5.909 50 10 JKGE CCCOc1ccc(C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@H]3c2cccc(OCCC)c2)cc1 38684433 BCYMLFCLZGMPSE-MHZLTWQESA-N 484.552 5.702 50 10 JKGE N#C/C(=C\c1ccc(-c2cc(Cl)cc(Cl)c2)o1)C(=O)Nc1cc(Cl)ccc1Cl 39884597 GWKBPRHYGNNQFR-KPKJPENVSA-N 452.124 7.106 50 10 JKGE Cc1ccc(Nc2ncnc(NNC(=O)c3ccc(Cl)cc3Cl)c2[N+](=O)[O-])cc1Cl 40591060 SJEWZKQTQYVQKT-UHFFFAOYSA-N 467.700 5.154 50 10 JKGE Cc1ccc(C(=O)N/N=C2\CCCc3oc(C(=O)NN(c4ccccc4)c4ccccc4)c(C)c32)cc1 40804674 RANMVBQBBZMDKH-QCKNELIISA-N 492.579 5.850 50 10 JKGE CCN(C(=O)c1oc2c(c1C)/C(=N/NC(=O)c1ccc(Br)cc1)CCC2)c1ccccc1 40811812 UKXLWWQRRRZIGI-NHFJDJAPSA-N 494.389 5.488 50 10 JKGE CCc1ccccc1NC(=O)c1oc2c(c1C)/C(=N/NC(=O)c1ccc(-c3ccccc3)cc1)CCC2 40822618 SWZREESHOVSGLJ-MHTZHOPKSA-N 491.591 6.540 50 10 JKGE CCOc1ccc([C@@H](O)CCC(=O)N/N=C\c2cc(C)n(-c3ccc([N+](=O)[O-])c(Cl)c3)c2C)cc1 58894556 DANRIWREUUGWLR-DEHNYIOBSA-N 498.967 5.018 50 10 JKGE COc1cc(/C=C(\C#N)C(=O)Nc2ccccc2)cc(Br)c1OCc1ccccc1 59484103 OQTWCBWGFZXTPO-XDHOZWIPSA-N 463.331 5.582 50 10 JKGE C/C(=N\NC(=O)COc1ccc(C(C)C)cc1Br)C(c1ccccc1)c1ccccc1 66202607 JVJADGKQJPQWIQ-TURZUDJPSA-N 479.418 6.276 50 10 JKGE Fc1ccc(COc2c(Br)cccc2CBr)c(Br)c1 110378427 OWBXLAGFDOCFNN-UHFFFAOYSA-N 452.943 5.825 50 10 JKGE Fc1cc2nc(CCl)n(-c3cc(Br)ccc3Cl)c2cc1Br 158615915 RAJXXLBFNIWGIY-UHFFFAOYSA-N 452.936 6.082 50 10 JKGE COc1cc(Cl)c([C@@H](Br)c2ccc(I)cc2)cc1Cl 167000119 QZIVNZROFFNOQP-AWEZNQCLSA-N 471.947 6.091 50 10 JKGE CCCOc1ccc([C@H](Br)c2ccc(Br)o2)cc1Br 229008293 QDUFKIWTIJAOTB-AWEZNQCLSA-N 452.968 6.078 50 10 JKGE C[C@@H]1CCCC[C@H]1NC(=O)[C@H](c1ccc(Cl)cc1)N(CCc1ccc(Cl)cc1)C(=O)CCl 230274830 BRVSRODHJWIGMN-BSDZUQITSA-N 495.878 6.040 50 10 JKGE COCCc1ccc([C@@H](Cl)c2cc(Br)ccc2I)cc1 234696467 CQEGUGVEPKKBRC-MRXNPFEDSA-N 465.556 5.571 50 10 JKGE COc1ccc([C@@H](Br)c2csc(Br)c2)c(OC)c1Br 234985810 NOICUXAFUSIOGD-NSHDSACASA-N 471.008 5.775 50 10 JKGE O=c1[nH]c2cc(Br)c([C@H](Br)c3cc(Cl)sc3Cl)cc2[nH]1 236074856 IRMDKIMYPQIFQQ-JTQLQIEISA-N 456.974 5.471 50 10 JKGE Fc1cncc(COc2c(Br)cc(CBr)cc2Br)c1 236256210 UMRMIMCPWCSOOM-UHFFFAOYSA-N 453.931 5.220 50 10 JKGE O=C(NN=Cc1ccc2cccc(OCc3ccccc3)c2n1)c1ccc(Br)cc1 252624312 PLKZSXWYWHHJJF-UHFFFAOYSA-N 460.331 5.340 50 10 JKGE Cc1sc2ncn(CC(=O)NN=Cc3cccc(Oc4ccccc4)c3)c(=O)c2c1-c1ccccc1 254342088 GIXGEEXYIGJIDS-UHFFFAOYSA-N 494.576 5.376 50 10 JKGE N#C/C(N=Cc1cc(Cl)cc(Cl)c1O)=C(\C#N)N=Cc1cc(Cl)cc(Cl)c1O 254736447 BDTLTMZQHICIIY-HLYWPPFESA-N 454.100 5.508 50 10 JKGE Cc1cc([C@@H](Cl)c2cc(Cl)ccc2I)c(C)cc1Br 300475443 JTHUKGUFURPYGI-OAHLLOKOSA-N 469.975 6.652 50 10 JKGE FC1(F)CC[C@@H](COc2c(Br)cc(CBr)cc2Br)C1 311159178 ILSSCKLZSYVLGI-MRVPVSSYSA-N 462.954 5.921 50 10 JKGE Clc1ccc(COc2c(Br)cc(Br)cc2CBr)cc1 311976213 NUVUEDBSFBBPID-UHFFFAOYSA-N 469.398 6.339 50 10 JKGE Clc1ccccc1C(CBr)(CBr)Cc1ccc(Br)o1 378980180 REXTYQXOMPJNCT-UHFFFAOYSA-N 471.414 5.966 50 10 JKGE CC(C)(C)OC(=O)N1C[C@H](c2ccc(Cl)c(Cl)c2)[C@@H](CI)C1 382687146 GHKFYEJBOWYYDV-NWDGAFQWSA-N 456.151 5.379 50 10 JKGE CN(C(=O)OC(C)(C)C)c1cccc([C@@H]2CCc3ccccc3N2CCO[Si](C)(C)C(C)(C)C)c1 616592024 COTDSXSWFBUEHW-SANMLTNESA-N 496.768 7.574 50 10 JKGE CO[C@@H]1CCC[C@@H](C(CBr)(CBr)c2ccc(Br)cc2)C1 686321929 SKOPILDHWYPAPN-UKRRQHHQSA-N 469.055 5.682 50 10 JKGE COCc1cc(Br)c([C@@H](Br)c2cc(F)ccc2Br)s1 688144859 LHAMZXNTOZCULQ-LBPRGKRZSA-N 472.999 6.043 50 10 JKGE COc1ccc(Br)cc1COc1cc(Br)ccc1CBr 691452056 SGLJWAVLVGLFDK-UHFFFAOYSA-N 464.979 5.694 50 10 JKGE CC(C)[C@H]1CN(c2ccc(CBr)cc2Br)CCN1Cc1ccccc1 704746355 ZIMWOZZUISGYOH-OAQYLSRUSA-N 466.261 5.691 50 10 JKGE O=C(NC1(CBr)CCCCCC1)c1cc(Br)c(Br)s1 713460363 SVFYCIRBQLSRAN-UHFFFAOYSA-N 474.056 5.491 50 10 JKGE Clc1ccc(C[C@@H](Cl)c2ccc(I)c(Br)c2)cc1Cl 721572948 NXEQCBRLVUGSEN-GFCCVEGCSA-N 490.393 6.883 50 10 JKGE Cc1ccccc1NC(=O)/C(C#N)=C/c1cn(Cc2ccc(Cl)c(Cl)c2)c2ccccc12 1084022104 KMTGOCCGMALHRI-CPNJWEJPSA-N 460.364 6.851 50 10 JKGE N#C/C(=C\c1ccccc1OCc1ccccc1Cl)C(=O)Nc1cccc(Cl)c1Cl 1084293859 HBGAQEABZMOQLX-SFQUDFHCSA-N 457.744 6.771 50 10 JKGE Cc1cc(C)cc(-n2c(C)c(Br)c(C=NNC(=O)COc3ccccc3C)c2C)c1 1084418258 SWVLQCRMSYKKCB-UHFFFAOYSA-N 468.395 5.311 50 10 JKGE Cc1c(C(=O)Nc2cccc(C(F)(F)F)c2)oc2c1C(=NNC(=O)c1ccccc1)CCC2 1772744377 COIAOLKQDYJQSE-UHFFFAOYSA-N 455.436 5.330 50 10 JKGE N#CSc1ccc(NC(=O)Oc2cccc3c(NC(=O)CCC(=O)c4ccccc4)cccc23)cc1 1858776744 UNMWOZVHRDWVAR-UHFFFAOYSA-N 495.560 6.625 50 10 JKGE CC(C)Oc1cccc(/C=C/C(=O)NCc2ccc(OC(=O)Nc3ccc(SC#N)cc3)cc2)c1 1858908200 URLATBHOAHOMAP-OVCLIPMQSA-N 487.581 5.987 50 10 JKGE Cc1ccc(Cn2nc(-c3ccccc3)c3c2OC(N)=C(C#N)[C@@H]3c2c(F)cccc2Cl)cc1 1865682314 LUAYKCAJIBLAFF-JOCHJYFZSA-N 470.935 5.918 50 10 JKGE N#CC1=C(N)Oc2c(c(-c3ccccc3)nn2Cc2ccccc2F)[C@H]1c1ccc(Cl)c(Cl)c1 1865685387 IOVDHGQLFYRTDS-QFIPXVFZSA-N 491.353 6.262 50 10 JKGE CCCc1nn(-c2cccc3ccccc23)c2c1[C@H](c1ccc(Cl)cc1Cl)C(C#N)=C(N)O2 1865685520 JRMJYEBEEMXLLO-HSZRJFAPSA-N 475.379 6.503 50 10 JKGE CCCCCCOc1ccc([C@H]2C(C#N)=C(N)Oc3c2c(C)nn3Cc2cccc(F)c2)cc1OC 1865695457 CUQJABAPQRDBLU-SANMLTNESA-N 490.579 5.565 50 10 JKGE CCN(CC)c1ccc([C@H]2C(C#N)=C(N)Oc3c2c(C(F)(F)F)nn3Cc2ccc(C)cc2)cc1 1865701948 JFEHJJUMPKEIFC-NRFANRHFSA-N 481.522 5.323 50 10 JKGE N#CC1=C(N)Oc2c(c(C(F)(F)F)nn2-c2cccc(Cl)c2)[C@@H]1c1ccc(Cl)c([N+](=O)[O-])c1 1865706351 ULCGWCIGUZLFBA-OAHLLOKOSA-N 496.232 5.324 50 10 JKGE N#CC1=C(N)Oc2c(c(-c3ccccc3)nn2-c2ccccc2Cl)[C@H]1c1ccc([N+](=O)[O-])cc1 1865712796 IEUPXRGLZDTCAX-NRFANRHFSA-N 469.888 5.319 50 10 JKGE N#CC1=C(N)Oc2c(c(C(F)(F)F)nn2-c2ccc(Cl)cc2)[C@@H]1c1ccc(Br)cc1 1865714695 NRCQQNFKWIBMKN-OAHLLOKOSA-N 495.686 5.525 50 10 JKGE Cc1nc(Nc2ccc(SC#N)cc2)cc(N2CCO[C@@H](c3ccc(Br)cc3)C2)n1 1868480574 PHKXBZGHSWTPFA-HXUWFJFHSA-N 482.407 5.442 50 10 JKGE COc1ccc(-c2csc(/C(C#N)=C(\O)CCCOc3ccc(Cl)cc3)n2)cc1OC 1872745286 GDMXDWJOKDLHDR-ZZEZOPTASA-N 456.951 6.133 50 10 JKGE CC(C)Oc1ccc(C/C(O)=C(\C#N)c2nc(-c3cccc(Br)c3)cs2)cc1 1872745928 KBFFUYLZFCGITK-VZCXRCSSSA-N 455.377 6.395 50 10 JKGE CCOc1ccc(/C=C(C(/O)=C(\C#N)c2nc(-c3ccccc3Cl)cs2)\c2ccccc2)cc1 1872746814 ZJCFVVXJIIBIIZ-LFFFHQOQSA-N 485.008 7.896 50 10 JKGE N#C/C(=C(/O)C(c1ccccc1)c1ccccc1)c1nc(-c2ccc(Oc3ccccc3)cc2)cs1 1872754029 ZAYGFAVNGLOKGL-IKPAITLHSA-N 486.596 8.227 50 10 JKGE COc1cc(/C(O)=C(\C#N)c2nc(-c3c(C)c(C)cc(C)c3C)cs2)c([N+](=O)[O-])cc1OC 1872754158 FWOUZGKTTQLFLN-QJOMJCCJSA-N 465.531 5.919 50 10 JKGE Cc1cc(C)c(C)c(-c2csc(/C(C#N)=C(\O)c3c(Cl)ccc(Cl)c3Cl)n2)c1C 1872754385 QETKVYCPWBLDNK-STZFKDTASA-N 463.817 7.954 50 10 JKGE COc1ccc(-c2csc(/C(C#N)=C(\O)CCCOc3cc(C)c(Cl)c(C)c3)n2)c(OC)c1 1872755488 QCGCLJHTRRNGJJ-XDOYNYLZSA-N 485.005 6.749 50 10 JKGE COc1ccc(-c2csc(/C(C#N)=C(O)/C=C/c3ccc(OC)c(OC)c3)n2)cc1Cl 1872757341 ASWJPBIUJJDCQT-NHPATHQUSA-N 454.935 5.995 50 10 JKGE N#C/C(=C(/O)c1ccccc1Br)c1nc(-c2cc(Cl)ccc2Cl)cs1 1872758365 XGZJMRHCCFCQHS-LGMDPLHJSA-N 452.160 6.829 50 10 JKGE Brc1cc(C[C@H]2CCCC[C@@H]2Br)ccc1I 1904328918 YLHPVGMAMHUICS-MNOVXSKESA-N 457.975 5.550 50 10 JKGE Cc1c(Br)sc([C@H](Br)[C@@H]2CC[C@@H]3[C@@H](C2)C3(F)F)c1Br 1922929618 KQRMUXUQZDXWDT-FDDDBJFASA-N 479.022 6.699 50 10 JKGE O=S1(=O)CCC[C@@H]([C@H](Cl)c2c(Br)sc(Br)c2Cl)C1 1923049117 KVZVSDZSYQNCEI-VDTYLAMSSA-N 457.036 5.031 50 10 JKGE C[C@@H]1CCO[C@H]1[C@H](Br)c1c(Br)sc(Br)c1Cl 1923068942 ZFGZLGKVDLJCEC-UEYSZJFGSA-N 453.421 5.788 50 10 JKGE Clc1c(Br)sc(Br)c1[C@@H](Br)C1CC2(CCOC2)C1 1923071795 KWPTWSFJPHUJBB-XMDDQKSNSA-N 479.459 6.179 50 10 JKGE Clc1c(Br)sc(Br)c1[C@H](Br)[C@@H]1C[C@H]2C[C@H]2CO1 1923072357 OKHYEZNVIPSRPW-FZGKIIIMSA-N 465.432 5.788 50 10 JKGE Cc1c(Br)sc([C@H](Br)[C@@H](C)C2CCCCC2)c1Br 1923905723 AZEZNTAAZALXBV-GZMMTYOYSA-N 459.085 7.234 50 10 JKGE Brc1cnccc1C[C@@H](Br)c1ccccc1I 1924042887 FNHQONJBPASOKN-LLVKDONJSA-N 466.942 5.127 50 10 JKGE Cc1cc(CCl)ccc1S(=O)(=O)N(CCN(C)Cc1ccccc1)Cc1ccccc1 1946828167 VAHLDRZIGCZWBO-UHFFFAOYSA-N 457.039 5.057 50 10 JKGE CC[C@H](Br)CN(Cc1ccccc1)Cc1cc(Br)ccc1Br 1962459062 KTDHRUYMGSSMMN-INIZCTEOSA-N 490.077 6.387 50 10 JKGE Cc1cc(Br)c([C@@H](Br)C2CC(Br)C2)cc1Br 1991410443 GPANRUZZNCFRKH-TYAJBCFHSA-N 475.844 6.130 50 10 JKGE Cl[C@H](c1ccc(Br)cc1)c1ccc(Br)cc1I 2026220600 GEDZENTXIUMANF-CYBMUJFWSA-N 486.372 6.144 50 10 JKGE Cc1cc(C)c([C@H](Br)c2cscc2OCc2ccccc2)c(C)c1Br 2038687202 YJYKTAKFIKNLEV-OAQYLSRUSA-N 480.265 7.499 50 10 JKGE Brc1cc(Br)c([C@@H](Br)c2scc3c2CCCC3)s1 2066975211 IFYLRLMJLOAELT-NSHDSACASA-N 471.077 6.698 50 10 JKGE CCc1nn(C)c([C@H](Br)c2cc(Br)sc2C)c1Br 2072301970 FCRKJDQPDJVRAE-SNVBAGLBSA-N 457.029 5.362 50 10 JKGE CC(C)c1ccc(-n2nc(CBr)c(I)c2C(F)(F)F)cc1 2079257630 AZJRNQSZRZBYBN-UHFFFAOYSA-N 473.074 5.514 50 10 JKGE Cc1ccc([C@H](Br)c2ccc(Br)cc2Br)c(Br)c1 2083339476 QJXBCSKDCWTCMO-AWEZNQCLSA-N 497.850 6.767 50 10 JKGE CCCOc1ccc([C@@H](Cl)c2cscc2OCc2ccccc2)cc1Br 2100090513 ZEEWAQOYTRFPQP-OAQYLSRUSA-N 451.813 7.207 50 10 JKGE Brc1cc2c(c([C@@H](Br)c3cscc3OCc3ccccc3)c1)OCCC2 2100094665 VFLCARHOPJSJLT-HXUWFJFHSA-N 494.248 6.899 50 10 JKGE Cc1csc([C@H](Br)c2cc3c(cc2Br)OCC3)c1Br 2100808965 MEEOCMPRRAJPNB-CYBMUJFWSA-N 467.020 6.001 50 10 JKGE Cc1sc(Br)c([C@H](Br)c2cc(F)c(Br)cc2F)c1C 2101003662 NLORNRSWXPAMGV-GFCCVEGCSA-N 474.990 6.652 50 10 JKGE Cc1sc(Br)c([C@@H](Br)c2cc(Br)c(Cl)cc2F)c1C 2101011627 HBYKJVSFAJWACM-LBPRGKRZSA-N 491.445 7.167 50 10 JKGE Clc1cc(Br)ccc1CC[C@@H](Br)c1ccc(Br)cc1 2113490714 GPDIXAXBLZVLHB-CQSZACIVSA-N 467.426 6.934 50 10 JKGE C[C@@H](N(Cc1ccccc1)S(=O)(=O)c1ccc(CBr)cc1Cl)C(C)(C)C 2123211848 ZGKISJRSUGLXEO-OAHLLOKOSA-N 458.849 5.860 50 10 JKGE CC1(C)CCCN(Cc2cc(Cl)ccc2I)[C@@H]1CBr 2129314181 LHTLAURXQZDLNV-CQSZACIVSA-N 456.593 5.330 50 10 JKGE CO[C@@H]1C[C@H]([C@H](Br)c2cc(Br)ccc2Br)C12CCC2 2133847358 PUCQUYLQFDTQTJ-MRVWCRGKSA-N 453.012 5.853 50 10 JKGE BrCc1cc(Br)cc(Br)c1OC[C@H]1[C@H]2C[C@@H]3[C@H]1[C@@H]3C2 2134436989 KCAAXUHHDPVWOD-FUTAHJOGSA-N 450.996 5.387 50 10 JKGE CO[C@H]1C[C@@H](C[C@@H](Br)c2c(C)c(Br)cc(C)c2Br)C1 2136376268 DKDPMYLSLMHDOZ-NTZNESFSSA-N 455.028 6.080 50 10 JKGE COc1ccc(C[C@H](Cl)c2ccc(Br)cc2I)cc1 2142278854 IUKWRHXLFICDDD-AWEZNQCLSA-N 451.529 5.585 50 10 JKGE CCCc1nc(Br)c(Br)n1CC1(CBr)CCCCCC1 2143940785 LQEJVBWRNWRDPV-UHFFFAOYSA-N 471.075 6.096 50 10 JKGE CCC(CC)(CBr)CN1CC[C@H](C(F)(F)F)C[C@H]1CNC(=O)OC(C)(C)C 2163833751 CHVSJZMKLKQQLI-GJZGRUSLSA-N 459.391 5.355 50 10 JKGE Clc1c(Br)cccc1C[C@H](CBr)Cc1ccc(Br)cc1 2166824397 RCQJHTQPABELBX-GFCCVEGCSA-N 481.453 6.661 50 10 JKGE CCCCO[C@H]1[C@@H](Oc2c(Br)cc(Br)cc2Br)C[C@H]1Cl 2175005417 ZXOVYPKCJKOKFX-MBNYWOFBSA-N 491.445 5.918 50 10 JKGE C[C@@H](N(Cc1ccccc1)S(=O)(=O)c1ccc(CCCBr)cc1)C(C)(C)C 2179853514 IUHMPLODJNFQBY-GOSISDBHSA-N 452.458 5.640 50 10 JKGE Fc1ccc([C@H](Br)c2c(Br)cc(F)c(Cl)c2F)c(Br)c1 2201618714 KIDBSSANVZGLNQ-NSHDSACASA-N 493.342 6.767 50 10 JKGE Cc1c(Br)ccc([C@@H](Br)C2CC3(C2)CC(F)(F)C3)c1Br 2203707272 VBNGIINSEWULBB-ZDUSSCGKSA-N 472.993 6.782 50 10 JKGE Clc1cc(Br)ccc1C[C@H](Cl)c1csc(Br)c1Br 2221698265 VBFBLAYBNBCJHJ-JTQLQIEISA-N 493.873 7.212 50 10 JKGE Brc1cnsc1[C@H](Br)c1ccc2c(c1Br)CCO2 2222172164 HSTFXGCHYNVMMZ-LLVKDONJSA-N 453.981 5.087 50 10 JKGE C[C@@H]1COCC[C@H]1[C@@H](Br)c1c(Br)cc(Cl)c(Cl)c1Cl 2224301929 GCSKYZGQNZSBRA-OPVBNTEQSA-N 451.413 6.518 50 10 JKGE ClCCc1nc2cc(Br)c(Br)cc2n1C[C@@H]1CCN1Cc1ccccc1 2225698061 QCSWZBKKSBMLDX-HNNXBMFYSA-N 497.662 5.617 50 10 JKGE COc1ccc([C@H](Br)c2sc(Br)c(C)c2C)cc1Br 2225847294 IXPWECVJBZUURL-LBPRGKRZSA-N 469.036 6.383 50 10 JKGE Cc1cc(Br)c([C@H](Br)[C@@H]2C[C@@]23CCOC3)c(C)c1Br 2227349341 RGZNMVZZGIJJCN-COLVAYQJSA-N 453.012 5.691 50 10 JKGE CO[C@@H]1CC[C@@H]1C[C@@H](Br)c1c(Br)cc(C)c(Br)c1C 2227355271 MMSPWPIMGPLAIX-RAIGVLPGSA-N 455.028 6.080 50 10 JKGE COc1ccc(Br)c(CBr)c1OCc1cnsc1Br 2227742514 FWHRSLKSQUKKIH-UHFFFAOYSA-N 471.996 5.151 50 10 JKGE O=S1(=O)C[C@H]2[C@@H](C1)[C@@H]2[C@H](Br)c1c(Br)cc(Cl)c(Cl)c1Cl 2232508761 AUXVOCLTYVIDAQ-BCDWUSSUSA-N 483.436 5.136 50 10 JKGE Cc1cc(Br)c([C@H](Br)[C@@H]2C[C@H]3CCC[C@H](C3)C2)cc1Br 2233651507 YBHNLHMSVQMWLW-ZOPJHEKZSA-N 465.067 7.172 50 10 JKGE Cc1ccc([C@H](C)[C@@H](Br)c2cc(Br)c(Br)cc2F)cc1 2240814504 IRUPEPZPLSPLPB-MGPLVRAMSA-N 464.998 6.899 50 10 JKGE CN(C[C@H](Br)COCc1ccccc1)C(=O)c1cccc(Cl)c1Br 2248082420 CZPSTIZHTQVXNW-AWEZNQCLSA-N 475.608 5.155 50 10 JKGE COc1cc(C[C@@H](Br)c2ccccc2Br)sc1Br 2263739123 FJAXJKIURXZDBX-LLVKDONJSA-N 455.009 5.960 50 10 JKGE COc1ccc([C@@H](Br)Cc2ccccc2Cl)cc1I 2269545395 QSXFGRKXVSHFJG-LBPRGKRZSA-N 451.529 5.632 50 10 JKGE COc1ccc([C@@H](Br)c2ccc(C)cc2Cl)cc1I 2269545731 QXIDISSRVQYONE-OAHLLOKOSA-N 451.529 5.746 50 10 JKGE C[C@@H](Br)CN(Cc1ccc(Br)cc1Br)CC(C)(C)C 2272522219 YTSZFJYMJCKUOV-LLVKDONJSA-N 456.060 5.843 50 10 JKGE Brc1cc(Br)cc(C[C@H](Br)[C@H]2CC3CCC2CC3)c1 2277960384 HFMGGOJZQHWYDQ-DVVCRDMLSA-N 451.040 6.344 50 10 JKGE Fc1cc(Br)c(F)c(Br)c1[C@@H](Br)[C@H]1COC2(CCC2)C1 2288352798 HRJMYAWCTOGGGF-HQJQHLMTSA-N 474.965 5.885 50 10 JKGE Cc1ccc(F)c([C@H](Br)c2c(F)cc(Br)c(F)c2Br)c1 2288493236 PXLPWEVJODKSJD-LBPRGKRZSA-N 472.924 6.422 50 10 JKGE Fc1cc(F)c([C@@H](Br)Cc2cc(Br)cc(Br)c2)c(F)c1 2295264097 AREAGHLTZQEWAN-NSHDSACASA-N 472.924 6.308 50 10 JKGE C[C@H](CCCCCBr)NC(=O)Cc1cc(Br)cc(Br)c1 2295311711 NZGUCUHTLYLCNK-LLVKDONJSA-N 470.043 5.214 50 10 JKGE COc1ccc([C@@H](Br)c2cc(Br)c(Br)s2)c(OC)c1C 2295367687 MXXGSYFCOSEXBV-GFCCVEGCSA-N 485.035 6.083 50 10 JKGE COc1ccc(NC=C(C#N)c2nc(-c3cccc(Br)c3)cs2)c([N+](=O)[O-])c1 2295956225 HZUDHFNNTHJVLM-UHFFFAOYSA-N 457.309 5.466 50 10 JKGE N#CC(=CNc1ccc(Br)cc1)c1nc(-c2ccc(Cl)c(Cl)c2)cs1 2297321207 DXXZKIZQVKPHKS-UHFFFAOYSA-N 451.176 6.856 50 10 JKGE N#CC(=Cc1ccc(OCc2ccc([N+](=O)[O-])cc2)c(Br)c1)c1nc2ccccc2[nH]1 2297374447 TVNCDPZOYICHQA-UHFFFAOYSA-N 475.302 5.877 50 10 JKGE COc1cc(C=C(C#N)C(=O)Nc2cccc(C(F)(F)F)c2)ccc1OC(=O)c1cccs1 2297381421 ADGMUAHBMJGJMW-UHFFFAOYSA-N 472.444 5.540 50 10 JKGE CCOc1cc(C=C(C#N)C(=O)Nc2ccc(Cl)c(Cl)c2)ccc1OCc1ccc(C)cc1 2313631751 VCMCZTMFJBTBSK-UHFFFAOYSA-N 481.379 6.825 50 10 JKGE C[C@@H](NC(=O)C(C#N)=Cc1ccccc1OCc1ccc(Cl)c(Cl)c1)c1ccccc1 2313730210 FOMXPMJSZIQTCK-QGZVFWFLSA-N 451.353 6.357 50 10 JKGE Cc1ccc([C@H](Br)c2ccc(OCc3ccccc3)cc2Br)c(F)c1 2314448097 DYVPQQBQJLBEJF-OAQYLSRUSA-N 464.172 6.960 50 10 JKGE CCCNC(=O)C(C#N)=Cc1ccc(OC(=O)c2sc3ccccc3c2Cl)c(OC)c1 2314792517 LEELXYKKPCHXND-UHFFFAOYSA-N 454.935 5.216 50 10 JKGE CC(C)(C)OC(=O)NC[C@@](C)(CI)OCCCCC(F)(F)C(F)(F)F 2315805484 ZIYMJTLUQMJMLH-CYBMUJFWSA-N 489.263 5.089 50 10 JKGE CCC(F)(F)[C@H](Br)c1c(C)cc(Br)c(OC)c1Br 2317401705 VJWOXSQHIIIYBQ-LLVKDONJSA-N 450.943 6.010 50 10 JKGE COc1ccc(C(C#N)=Cc2ccc(OC(=O)COc3ccc(Cl)cc3)c(OC)c2)cc1OC 2320506667 OVTPDTXYCHNCQC-UHFFFAOYSA-N 479.916 5.414 50 10 JKGE CC(C)Oc1c(Cl)cc(C=NNC(=O)c2ccc3[nH]c4c(c3c2)C[C@H](C)CC4)cc1Cl 2323168709 UZXRPONEYNBQKT-CQSZACIVSA-N 458.389 6.151 50 10 JKGE CCCOc1ccc(-c2csc(C(C#N)=C(O)COc3ccccc3)n2)cc1OCCC 2331293691 QHZCEYDEUXYVHD-UHFFFAOYSA-N 450.560 6.259 50 10 JKGE CC(C)[C@H](C(O)=C(C#N)c1nc(-c2ccc(Cl)cc2)cs1)N1C(=O)c2ccccc2C1=O 2331295826 IMILTTFUTBLBFP-HXUWFJFHSA-N 463.946 5.577 50 10 JKGE CC[C@@H](C)[C@H](C(O)=C(C#N)c1nc(-c2ccc(OC)c(F)c2)cs1)N1C(=O)c2ccccc2C1=O 2331337734 WGLNAOGSFWGGIC-JLCFBVMHSA-N 491.544 5.461 50 10 JKGE CCOc1ccc(-c2csc(C(C#N)=C(O)c3c(OC)cccc3OC)n2)c(OCC)c1 2331387100 ZOWVTOUXTUIILE-UHFFFAOYSA-N 452.532 5.575 50 10 JKGE N#CC(=C(O)C=Cc1ccc(Cl)c(Cl)c1)c1nc(-c2cc(Cl)ccc2Cl)cs1 2331404407 AHBLQTCBFNDCPF-UHFFFAOYSA-N 468.192 7.930 50 10 JKGE CCOc1cc(C=C(C#N)c2nc(-c3ccc4ccccc4c3)cs2)cc(Br)c1O 2331416786 LPKVHTIWWINPPI-UHFFFAOYSA-N 477.383 6.894 50 10 JKGE C[C@H]1CC[C@H]([C@@H](Br)c2c(Cl)cc(Br)c(F)c2Br)CC1 2337084603 NDIOWAHBMWCAQW-DNSOKLHBSA-N 477.437 7.266 50 10 JKGE COc1c(Br)cc(C)c([C@@H](Br)C2CC3(CC3)C2)c1Br 2339655343 FAOAGGUOZFJGCK-LBPRGKRZSA-N 453.012 6.155 50 10 JKGE Fc1cc(Cl)c([C@H](Cl)c2ccc(OCc3ccccc3)cc2Br)c(Cl)c1 2340798580 MNPQGZKPSYSKRM-HXUWFJFHSA-N 474.584 7.802 50 10 JKGE Clc1ccc(I)cc1CN1CCC(CCCBr)CC1 2352416911 BGHIZZWGINTXGW-UHFFFAOYSA-N 456.593 5.332 50 10 JKGE FC(F)Oc1ccc([C@@H](Br)c2cc(Br)ccc2OCc2ccccc2)cc1 2361175762 CHIWOGMBKFSHFH-HXUWFJFHSA-N 498.161 7.114 50 10 JKGE Fc1c(Br)cc(Cl)c([C@@H](Cl)C(F)(F)C2CCCC2)c1Br 2362226178 XZOVTEQJLZHHIH-GFCCVEGCSA-N 454.939 7.110 50 10 JKGE Clc1sc([C@@H](Cl)c2cc3c(cc2Br)OCCC3)cc1Br 2369633758 NYHWXGUFMWDRMG-ZDUSSCGKSA-N 457.014 6.580 50 10 JKGE COc1c(F)cc([C@H](Br)c2c(Br)cccc2Br)cc1F 2370440489 PCSCFQAQOYRZQE-ZDUSSCGKSA-N 470.933 5.983 50 10 JKGE Fc1cc(F)c(CCl)c(OCc2ccc(I)c(Br)c2)c1 2377615461 GTIMGROJOHLZSU-UHFFFAOYSA-N 473.482 5.650 50 10 JKGE CCOc1cc(/C=C(/C#N)c2ccc([N+](=O)[O-])cc2)ccc1OCCOc1ccccc1OC 16689033 GVYSAWPLVVZXSI-PGMHBOJBSA-N 460.486 5.524 50 10 JKGE CCOc1ccccc1C(=O)N/N=C/c1ccccc1OCc1cccc(Br)c1 20189967 RHMGFBYKCSMRRB-MFKUBSTISA-N 453.336 5.191 50 10 JKGE O=C(N/N=C/c1cc([N+](=O)[O-])ccc1OCc1ccc(Br)cc1)c1c[nH]c2ccccc12 20533798 XVWDCNVIISKQQN-RPPGKUMJSA-N 493.317 5.182 50 10 JKGE N#C/C(=C/c1cccc(OCc2ccccc2)c1)C(=O)Nc1ccc([N+](=O)[O-])cc1C(F)(F)F 33930406 TZFKRIJUBVHGOZ-WQRHYEAKSA-N 467.403 5.738 50 10 JKGE CCOc1c(Cl)cc(C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@H]3c2ccc(C)cc2)cc1Cl 38649247 JQHANZAEBXGKMB-QHCPKHFHSA-N 495.362 6.138 50 10 JKGE C[C@H](Oc1ccc(F)cc1)C(=O)Oc1ccc2c(c1)OC(N)=C(C#N)[C@@H]2c1ccc(Cl)cc1Cl 38655442 KDBSWKXDLYMISG-ZAMGYDSWSA-N 499.325 5.724 50 10 JKGE CCCCOc1cccc(C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@@H]3c2c(F)cccc2Cl)c1 38680567 TZAXPAAEBUBMEO-XMMPIXPASA-N 492.934 6.095 50 10 JKGE C=CCOc1ccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4ccccc4Cl)ccc32)cc1OC 38680839 WBEUIGMFNNRJLN-RUZDIDTESA-N 488.927 5.351 50 10 JKGE C=CCOc1ccc(-c2nn(-c3ccccc3)cc2/C=C(\C#N)C(=O)Nc2ccc(C)c(C)c2)c(C)c1 39983471 UNCACSVNYXQJQH-HKOYGPOVSA-N 488.591 6.575 50 10 JKGE CCCCCN1C(=O)/C(=N\NC(=O)COc2ccc(C(C)C)cc2)c2cc(Br)ccc21 40846256 WRUROAYAZLHVFP-VYIQYICTSA-N 486.410 5.009 50 10 JKGE CCOc1cc(/C=C(\C#N)C(=O)Nc2cccc(C)c2C)ccc1OCc1ccc(Cl)cc1Cl 59202211 RQMFCTSEVYYEMP-CIAFOILYSA-N 495.406 7.134 50 10 JKGE O=C(N/N=C/c1cc(Br)c(Sc2ccc(Cl)cc2)o1)Nc1ccc(F)cc1 59248944 BYXYGMZXHCRDTG-LSHDLFTRSA-N 468.735 6.141 50 10 JKGE CCCCCCCCCCCCCCCCCCN(C)C(=O)N[C@H]1CS(=O)(=O)C[C@@H]1Cl 59568720 XEPFFFRGABTBGA-GOTSBHOMSA-N 479.171 6.294 50 10 JKGE COc1cccc(/C=C(/C#N)C(=O)Nc2nccs2)c1OCc1cccc(C(F)(F)F)c1 96438652 BEGYGNAKWYBGHH-WJDWOHSUSA-N 459.449 5.295 50 10 JKGE CCOC(=O)c1c(N/C=C(\C#N)c2nc(-c3ccc(CC)cc3)cs2)sc(C(C)=O)c1C 103631695 VAIXMTWEDMESFD-LDADJPATSA-N 465.600 6.098 50 10 JKGE COc1ccc([C@H](Br)c2cc(Br)sc2Br)c(OC)c1 109870095 GVIATTSGXMTIMY-LBPRGKRZSA-N 471.008 5.775 50 10 JKGE Cc1cc(Br)c([C@@H](Br)c2ccc3c(c2)COC3)cc1Br 128803642 FLPDBRYRNBDLJD-INIZCTEOSA-N 460.991 6.035 50 10 JKGE Cc1cc(Br)c([C@H](Br)c2ccc3c(c2)CCO3)cc1Br 128841822 JBCWXDHQLMWGJW-MRXNPFEDSA-N 460.991 5.939 50 10 JKGE CCc1cc(CC)c([C@H](Br)c2cc(Br)c(Br)s2)c(CC)c1 148087386 BJTUEMMIDDKHAF-MRXNPFEDSA-N 495.118 7.445 50 10 JKGE O=c1[nH]c2cc(Br)c([C@@H](Br)c3c(F)cccc3Br)cc2[nH]1 161209060 ZYVHSFCUMQJWQM-CYBMUJFWSA-N 478.941 5.005 50 10 JKGE Cc1ccc([C@@H](Br)c2cc(F)c(Br)cc2F)c(Br)c1 163917653 CKIDOFIUVSVIGV-CQSZACIVSA-N 454.934 6.283 50 10 JKGE Brc1ccc(Br)c([C@@H](Br)[C@@H]2[C@@H]3CCc4ccccc4[C@H]32)c1 164231548 IJGWUIDSAHQXLJ-BNEJOLLZSA-N 471.030 6.624 50 10 JKGE Cc1c(Br)cccc1[C@H](Br)c1cc(Br)c(Cl)s1 227849075 DKGSMRXUUUJVKD-NSHDSACASA-N 459.428 6.719 50 10 JKGE O=C(Oc1ccc(Br)cc1C=NNC(=O)c1ccc(Cl)cc1Cl)c1ccco1 252627915 SDXQGRSSFOYSAW-UHFFFAOYSA-N 482.117 5.332 50 10 JKGE CCCCOc1ccc(Br)cc1C=NNC(=O)c1cc(Br)ccc1OCC 254508071 AGPUYNUJBNYBTF-UHFFFAOYSA-N 498.215 5.553 50 10 JKGE O=C(NN=Cc1ccc(OCc2ccccc2)cc1)c1cc(-c2ccccc2)nc2ccccc12 254735069 PLQRYKBYYZRJNR-UHFFFAOYSA-N 457.533 6.245 50 10 JKGE BrCc1ccc2sc(I)c(I)c2c1 307432758 YSWUCDBGHSQERE-UHFFFAOYSA-N 478.918 5.005 50 10 JKGE ClCc1nc2cc(Cl)cnc2n1-c1cc(Br)ccc1I 312252573 KKWCYGRZCOWLGT-UHFFFAOYSA-N 482.934 5.180 50 10 JKGE Clc1cc(Br)cc([C@@H](Cl)c2cc(I)cc3c2OCC3)c1 312406694 WFAZUPZIAWLDCD-CQSZACIVSA-N 483.958 5.970 50 10 JKGE FC(F)(F)c1csc([C@H](Br)c2cc3sccc3s2)c1Br 380226270 KGFGBDNCVBIPOE-SNVBAGLBSA-N 462.175 7.290 50 10 JKGE CCc1cc(C)sc1[C@H](Br)c1cc(Br)c(Br)s1 384039930 QDSFRKAPFYLPCC-SNVBAGLBSA-N 459.066 6.690 50 10 JKGE CCOc1ccc(Br)cc1[C@@H](Cl)c1sccc1I 386458978 FAHIKUKUGGVKPU-GFCCVEGCSA-N 457.558 5.842 50 10 JKGE FC(F)(F)c1csc([C@H](Br)c2coc(Br)c2)c1Br 393542967 HWBQLIQTBHZLDT-SSDOTTSWSA-N 468.914 6.369 50 10 JKGE Cn1ncc([C@H](Br)c2csc3c(Br)cccc23)c1Br 393592000 AHHRNKBOHMXQJW-NSHDSACASA-N 465.008 5.644 50 10 JKGE Fc1c(Br)cccc1-n1c(CCl)nc2cc(I)ccc21 689262991 MNVUMLDVVNOJER-UHFFFAOYSA-N 465.491 5.271 50 10 JKGE C[C@H](Cl)c1nc2ccc(F)c(Br)c2n1[C@H]1CCCN(Cc2ccccc2)C1 689776573 XDUGPVSWHWRSLZ-HOCLYGCPSA-N 450.783 6.075 50 10 JKGE Fc1cc(Br)ccc1C[C@@H](Cl)c1cc(Br)c(Br)s1 692782241 OYEKTTRVRDZAOG-SECBINFHSA-N 477.418 6.697 50 10 JKGE Cn1cc([C@@H](Br)c2scc(C(F)(F)F)c2Br)nc1Br 698451489 QZTLMUXSRVILPP-SSDOTTSWSA-N 482.945 5.510 50 10 JKGE CCCOc1ccc([C@H](Br)c2ncsc2Br)cc1Br 698651365 GVHMKGXTJNARPA-NSHDSACASA-N 470.024 5.941 50 10 JKGE Fc1cccc(COc2cc(Br)ccc2CBr)c1Br 701008028 JYPXPKXMWJUBNR-UHFFFAOYSA-N 452.943 5.825 50 10 JKGE BrCc1c(Br)cccc1N1C[C@H]2CC[C@H]1[C@H]1CN(Cc3ccccc3)C[C@@H]21 705886866 UAQVHRVILXYKBE-UYOCQKMUSA-N 490.283 5.691 50 10 JKGE Cc1cc(Br)c([C@@H](Br)C23CCC(CC2)CC3)cc1Br 710313144 WAHBVWFIOLWLTK-YWCUFVOSSA-N 451.040 6.926 50 10 JKGE Fc1ccc(COc2c(F)cc(Br)cc2CBr)c(Br)c1 715828482 QJSFSGFTXGPEPE-UHFFFAOYSA-N 470.933 5.964 50 10 JKGE Cc1cc([C@H](Br)c2ccc(I)c(Br)c2)cc(C)c1F 721613371 LKDZCSAGZDJBEQ-CQSZACIVSA-N 497.971 6.294 50 10 JKGE Cc1sc([C@H](Br)c2ccc(Br)cc2Cl)c(C)c1Br 724928854 SBYFKPAUNUBHRA-GFCCVEGCSA-N 473.455 7.028 50 10 JKGE O=C(OCc1ccccc1)N1C[C@@H](CBr)[C@H](c2cc(C(F)(F)F)ccc2Cl)C1 725387382 LZTPJKPVMDETAJ-RHSMWYFYSA-N 476.720 6.106 50 10 JKGE Cc1ccc(C(CSc2nc3ccccc3o2)=NNC(=O)c2cccc([N+](=O)[O-])c2)c(C)c1 1084018950 FKYSUFSZAHFHFP-UHFFFAOYSA-N 460.515 5.279 50 10 JKGE C=CCc1cc(C=NNC(=O)CC[C@H](O)c2ccccc2)cc(OCC)c1OCc1ccc(C)cc1 1084511564 DNPHLMXRJJACTE-MHZLTWQESA-N 486.612 5.665 50 10 JKGE COc1cc(C=NNC(=O)COc2ccccc2-c2ccccc2)ccc1OCc1ccc(C)cc1 1772754481 IIODDTDHEAPZLM-UHFFFAOYSA-N 480.564 5.779 50 10 JKGE O=C(CSc1nc(-c2ccccc2)cs1)NN=Cc1ccc(OCc2cccc(Cl)c2)cc1 1772755104 NHOVUHLFTWFWPI-UHFFFAOYSA-N 494.041 6.285 50 10 JKGE COc1ccc(OC)c(/C=C/C(=O)NNC(=O)c2ccc(-c3ccc4ccccc4c3)s2)c1 1860391817 WZADEMJSPMPPLA-NTEUORMPSA-N 458.539 5.060 50 10 JKGE N#CC1=C(N)Oc2c(c(-c3ccccc3)nn2Cc2ccc(Cl)c(Cl)c2)[C@H]1c1ccccc1 1865680355 IDBRRRLTNGZQBX-QFIPXVFZSA-N 473.363 6.123 50 10 JKGE CCc1nn(-c2ccc(Cl)cc2)c2c1[C@H](c1c(OC)ccc3ccccc13)C(C#N)=C(N)O2 1865688193 MWLJKWHOJSKCSW-QHCPKHFHSA-N 456.933 5.468 50 10 JKGE CCOc1c(OC)cccc1[C@H]1C(C#N)=C(N)Oc2c1c(-c1ccccc1)nn2-c1ccc(Cl)cc1 1865692521 GRXABRZJSXJNFS-QHCPKHFHSA-N 498.970 5.818 50 10 JKGE CCOc1c(OC)cccc1[C@@H]1C(C#N)=C(N)Oc2c1c(-c1ccccc1)nn2Cc1ccc(C)cc1 1865693126 LSTXIBZOVRRXQB-RUZDIDTESA-N 492.579 5.532 50 10 JKGE COc1ccc(-c2nn(-c3ccc(C)cc3)c3c2[C@H](c2sccc2C)C(C#N)=C(N)O3)cc1 1865699337 QWVWDERXQMQUEP-OAQYLSRUSA-N 454.555 5.444 50 10 JKGE CCn1nc(-c2ccccc2)c2c1OC(N)=C(C#N)[C@@H]2c1ccc(OC(=O)c2ccccc2)c(OC)c1 1865704724 CPAJEDUJYWSIKX-DEOSSOPVSA-N 492.535 5.016 50 10 JKGE CCOc1ccc(/C=N\NC(=O)c2ccc(-c3ccc(Cl)cc3Cl)nc2C)cc1OCC 1865760895 VALALRCWXOEKHZ-VYYCAZPPSA-N 472.372 5.925 50 10 JKGE CC[C@@](C)(NC(=O)Cc1nc(-c2ccccc2Cl)oc1C)C(=O)Nc1ccc(SC#N)cc1 1866665608 RFYHCCFBQPDKOW-XMMPIXPASA-N 482.993 5.343 50 10 JKGE COc1cccc(/C=C(\C#N)c2ccc(C(=O)OC(C)C)o2)c1OCc1c(F)cccc1Cl 1872728674 NPJSDMDLDJXEPX-SFQUDFHCSA-N 469.896 6.289 50 10 JKGE CC(C)COc1cccc(/C(O)=C(\C#N)c2nc(-c3cccc(Br)c3)cs2)c1 1872745741 ATDAAXJWDTVNHQ-VZCXRCSSSA-N 455.377 6.557 50 10 JKGE CCCCCCCOc1ccc(-c2csc(/C(C#N)=C(\O)COc3ccc(Cl)cc3)n2)cc1 1872753184 LCDRRTBZOZEQBW-BZZOAKBMSA-N 483.033 7.684 50 10 JKGE CCOc1ccc(OCC)c(-c2csc(/C(C#N)=C(\O)c3cc([N+](=O)[O-])c(C)c([N+](=O)[O-])c3)n2)c1 1872754709 FIUMYSRIXVJCGI-XLNRJJMWSA-N 496.501 5.682 50 10 JKGE CCCCOc1ccc(/C(O)=C(\C#N)c2nc(-c3ccc(Cl)s3)cs2)cc1OCC 1872758425 ZJDYGVFOVYPFCH-QNGOZBTKSA-N 461.008 7.052 50 10 JKGE CCOc1cc(/C=C(\C#N)c2nc(-c3cccc(OC)c3)cs2)cc(Br)c1O 1872781334 AGVHCWOOMBWTAD-VIZOYTHASA-N 457.349 5.750 50 10 JKGE CCCCOc1ccc(/C=C(\C#N)c2nc(-c3ccc(Cl)cc3Cl)cs2)cc1OC 1872781804 RWSBQCFLIHWLAT-MHWRWJLKSA-N 459.398 7.369 50 10 JKGE COc1cc(-c2csc(/C(C#N)=C/c3ccc(Cl)c(Cl)c3)n2)c(OC)cc1Cl 1872793860 XYXSURSQHABVFR-LFYBBSHMSA-N 451.762 6.852 50 10 JKGE Cl[C@@H](c1coc(Br)c1)c1ccc(OCc2ccccc2)cc1Br 1899880743 BAFCXQBUSIHRJF-SFHVURJKSA-N 456.561 6.712 50 10 JKGE Clc1cc(I)c([C@H](Cl)c2cccc(I)c2)s1 1900918171 DAZMGFUYDAGEHM-SNVBAGLBSA-N 494.950 5.939 50 10 JKGE Cc1c(Br)sc([C@@H](Cl)c2ccc(OCc3ccccc3)cc2)c1Br 1922882617 AQDBDKLELHJKON-KRWDZBQOSA-N 486.656 7.489 50 10 JKGE Cn1ncc([C@@H](Br)c2sc(Br)cc2Br)c1Br 1922890190 BFXHQUOBMSPEBG-SSDOTTSWSA-N 493.844 5.253 50 10 JKGE Brc1sc(Br)c([C@@H](Br)[C@H]2CC23CC3)c1Br 1924612984 PMPBYSQJCJBVFC-XINAWCOVSA-N 479.857 6.272 50 10 JKGE COc1cccc(OC)c1[C@H](Br)c1c(Cl)sc(Br)c1Cl 1925597009 ALBFAWHDOUYKHC-JTQLQIEISA-N 461.002 6.319 50 10 JKGE CC[C@@H]1CC[C@@H]([C@@H](Br)c2c(Br)sc(Br)c2Cl)O1 2023216351 XIPFGGNOJSITDY-GKROBHDKSA-N 467.448 6.320 50 10 JKGE CCc1cscc1[C@H](Br)c1cc(Br)c(C)cc1Br 2036032638 LDLNPSRAUBFRMX-CQSZACIVSA-N 453.037 6.628 50 10 JKGE COc1cc(C=C(C#N)c2ccccn2)ccc1OCC(=O)Nc1c(Cl)cccc1Cl 2040444570 MKMXLKZKCBGRGT-UHFFFAOYSA-N 454.313 5.479 50 10 JKGE Cn1cc([C@@H](Br)c2cc(Cl)c(Br)cc2F)c(Br)n1 2052969630 IMVKAPSBHNWFOW-JTQLQIEISA-N 461.354 5.222 50 10 JKGE FC(F)(F)[C@@H]1C[C@@H]1C[C@H](Br)c1cc(Br)ccc1Br 2065500026 XQTKNRLKLFLCJT-CGYDSVCVSA-N 450.918 6.236 50 10 JKGE CC(C)(CBr)N(Cc1ccccc1)C(=O)c1cc(Br)ccc1[N+](=O)[O-] 2065844062 APQSICLNPXBLFA-UHFFFAOYSA-N 470.161 5.173 50 10 JKGE CN(C[C@@H]1C[C@H]1Br)[C@H](CN)c1ccc(OCc2ccccc2)c(OCc2ccccc2)c1 2076237691 XUDLOFJEIDAXER-ISJGIBHGSA-N 495.461 5.560 50 10 JKGE Clc1csc(COc2c(Br)cc(CBr)cc2Br)n1 2076455407 BGWUWIGRNIQXNI-UHFFFAOYSA-N 476.415 5.795 50 10 JKGE Brc1cc([C@H](Br)c2ccccc2I)cc2c1OCC2 2090460715 LSZVDEFBEUWMPZ-AWEZNQCLSA-N 493.964 5.473 50 10 JKGE CC1(C)C2CCC1([C@H](Br)c1cc(Br)ccc1Br)CC2 2094494194 WEFIZMLZNJHTSO-XHYCCTMSSA-N 451.040 6.864 50 10 JKGE Cc1cc(Br)c([C@H](Br)[C@H]2CCCC(C)(C)C2)cc1Br 2112309338 CQIWVFSQVYRBBN-XHDPSFHLSA-N 453.056 7.172 50 10 JKGE O=C(c1cc(Br)c(Br)s1)N1[C@H]2CC[C@@H]1C[C@@H](CBr)C2 2128149571 KSVZKZFLTTZERZ-PSVAKVPMSA-N 472.040 5.051 50 10 JKGE C[C@H](c1cscc1Br)N(C)c1cc(Br)ccc1CBr 2130022988 DXSIAEJTWBCFAF-SECBINFHSA-N 468.052 6.365 50 10 JKGE Cc1cc(Br)ccc1[C@H](Cl)c1ccc(Br)c(C)c1Br 2138866937 VVRNFEPNLAIASQ-HNNXBMFYSA-N 467.426 6.919 50 10 JKGE COc1c(Br)cc(C)cc1[C@H](Cl)c1scc(Br)c1Br 2139000663 HMTMURYQGUGDAA-NSHDSACASA-N 489.454 6.681 50 10 JKGE COc1c(C)cc(Br)cc1[C@@H](Cl)c1csc(Br)c1Br 2141662692 PCDPCUDRHABXKK-LLVKDONJSA-N 489.454 6.681 50 10 JKGE Fc1cc(Cl)c(Br)cc1[C@H](Br)Cc1ccc(Cl)c(Cl)c1 2154119342 CNCBDTIPJOQDAX-SECBINFHSA-N 461.383 7.227 50 10 JKGE C[C@@H](Cl)c1nc2cc(Br)c(Cl)cc2n1C1CC(COCc2ccccc2)C1 2160079667 RPHJBZHGMZOLES-IUDNXUCKSA-N 468.222 6.920 50 10 JKGE Cc1c(Br)sc([C@H](Br)[C@@H]2CC3(CCCCC3)CO2)c1Br 2166260751 LGLZAHFAJRSDMC-CMPLNLGQSA-N 487.095 6.757 50 10 JKGE C[C@@H](Cl)c1nc2cc(Cl)c(Br)cc2n1CC[C@@H](C)N(C)Cc1ccccc1 2169011024 ODERKUXHYQRHOS-HUUCEWRRSA-N 469.254 6.663 50 10 JKGE Fc1cc(Br)cc(N2CC[C@H]3CCN(Cc4ccccc4)C[C@H]3C2)c1CCl 2170696130 ZIWWCYWWMPMUEH-MSOLQXFVSA-N 451.811 5.675 50 10 JKGE COC1CC2(C1)CC(CBr)(Cc1cc(Br)ccc1Br)C2 2175148660 AJHAANFXXIDBDV-UHFFFAOYSA-N 467.039 5.724 50 10 JKGE CC1(C)CCC[C@H](CO[C@@H](CI)c2ccccc2Br)O1 2185558415 ARLLLELJSUDFHW-DOMZBBRYSA-N 453.158 5.290 50 10 JKGE CO[C@@H]1C[C@H]([C@@H](Br)c2cc(Br)c(C)cc2Br)C12CCC2 2190382130 YYYKQJJIXTVQHF-DFBGVHRSSA-N 467.039 6.161 50 10 JKGE COC1(C[C@@H](Br)c2c(C)c(Br)cc(C)c2Br)CCCC1 2201078349 NZBCRFAHQYVZDM-CYBMUJFWSA-N 469.055 6.614 50 10 JKGE Cc1cc(Br)c(C)c([C@@H](Br)[C@@H]2CCCC(C)(C)C2)c1Br 2201080018 WIVNGZJNCIHDDV-WBMJQRKESA-N 467.083 7.481 50 10 JKGE Clc1cc(CN2Cc3ccc(CBr)cc3C2)ccc1I 2208035293 DCUYEQSYIYIDNC-UHFFFAOYSA-N 462.556 5.355 50 10 JKGE BrCC1(N(Cc2ccccc2)C[C@H]2CC2(Br)Br)CCC1 2209114516 WHZMSJFOTMXYBG-CQSZACIVSA-N 466.055 5.312 50 10 JKGE BrCc1ccc(OC[C@H]2CC2(Br)Br)c(Br)c1 2210243569 AXEIRTYTBUOARO-MRVPVSSYSA-N 477.816 5.229 50 10 JKGE Cc1cc([C@H](Br)c2scc(Br)c2C)c(C)cc1Br 2218996261 ZTOJUYWHOGAHFB-ZDUSSCGKSA-N 453.037 6.683 50 10 JKGE Cn1cc([C@H](Cl)c2c(Br)cc(Cl)c(Cl)c2Cl)c(Br)n1 2224307430 NEBFRCUCQOSTFE-QMMMGPOBSA-N 467.803 6.234 50 10 JKGE Fc1cc(Br)c(Br)cc1[C@H](Br)[C@H]1[C@@H]2[C@H]1CCC2(F)F 2225617880 SDANYNMSGLCOFI-CFKOSQDASA-N 462.929 6.078 50 10 JKGE COCCC1([C@H](Br)c2c(Br)cc(C)c(Br)c2C)CC1 2227347998 LLTRKGZPUBZDRY-CQSZACIVSA-N 455.028 6.081 50 10 JKGE COc1ccc([C@H](Br)c2sc(Br)c(C)c2C)c(Br)c1 2232080391 WZHVTHPAEUMBFS-LBPRGKRZSA-N 469.036 6.383 50 10 JKGE COc1cc(Br)c([C@@H](Cl)c2cc(Br)cc(Br)c2)cc1C 2236015553 WZDDKZQQPDQFOU-HNNXBMFYSA-N 483.425 6.619 50 10 JKGE Cc1sc(CN(C)c2cccc(Br)c2CBr)c(Br)c1C 2237724275 JMFDRUHPPIAAEU-UHFFFAOYSA-N 482.079 6.421 50 10 JKGE Brc1cc(Br)cc(C[C@H](Br)c2ccc(Br)o2)c1 2252836872 HTMXSRCJPJRNIH-JTQLQIEISA-N 487.811 6.246 50 10 JKGE CCc1cc([C@@H](Br)c2cc(Br)ccc2C)sc1Br 2256055912 PTQGFFSCRAHDPA-ZDUSSCGKSA-N 453.037 6.628 50 10 JKGE Cc1cc(Br)c([C@@H](Cl)c2cccc(I)c2)c(C)c1F 2264477180 WKLINMSCFJBEFF-AWEZNQCLSA-N 453.520 6.138 50 10 JKGE CCCC1([C@H](Br)c2c(F)cc(Br)c(F)c2Br)CCC1 2272730115 URIJLXHJTHZTPK-CYBMUJFWSA-N 460.982 6.896 50 10 JKGE CC(C)(C)CCN(CCBr)C(=O)c1cc(Br)sc1Br 2274139468 MDUWVFDJZHVVHL-UHFFFAOYSA-N 476.072 5.546 50 10 JKGE Clc1ccc(Br)c([C@H](Cl)Cc2cc(Br)cc(Br)c2)c1 2277963344 SYJNBOUDBUOHNK-CQSZACIVSA-N 487.844 7.150 50 10 JKGE COc1ccc([C@@H](Cl)c2ccc(C)c(I)c2)c(Br)c1Cl 2283553348 KKFGPIVQEXDEPR-AWEZNQCLSA-N 485.974 6.352 50 10 JKGE COc1c([C@H](Br)c2cnn(C)c2Br)cc(Br)c(C)c1C 2284586972 JOKIJIYYNZBBIB-LBPRGKRZSA-N 466.999 5.055 50 10 JKGE CS(=O)(=O)c1cscc1[C@H](Cl)c1cc(Br)c(Br)cc1F 2288512008 GNCORRPIXBYMBO-GFCCVEGCSA-N 462.587 5.144 50 10 JKGE Cc1ccc(N2C(=O)[C@H](Cc3ccccc3)SC2=C(C#N)C(=O)Nc2ccc(Cl)cc2)cc1 2296835066 UHILWYMWFDSVEH-QHCPKHFHSA-N 473.985 5.713 50 10 JKGE CCOc1cc(C=C(C#N)C(=O)Nc2ccc([N+](=O)[O-])cc2C)ccc1OCc1ccc(C)cc1 2297399773 BPQLWOZJKVVSHL-UHFFFAOYSA-N 471.513 5.735 50 10 JKGE CCN(C[C@@](C)(CI)O[C@H]1CCCC2(CC2)C1)C(=O)OC(C)(C)C 2302707366 QMLDAUIHIRTFRY-MAUKXSAKSA-N 451.389 5.177 50 10 JKGE CCOc1cc(C=C(C#N)C(=O)Nc2ccccc2Cl)ccc1OCc1ccccc1Cl 2313631612 SNCUVGIOLZWEEO-UHFFFAOYSA-N 467.352 6.517 50 10 JKGE COc1ccc(C=C(C#N)C(=O)Nc2ccc(Cl)c(Cl)c2)cc1OCc1ccccc1Cl 2313631918 ZBHNYMPGMRAWIF-UHFFFAOYSA-N 487.770 6.780 50 10 JKGE CCCOc1ccc(Br)cc1C=C(C#N)C(=O)Nc1cccc(C(F)(F)F)c1 2313676884 UAXBUZXSPMTOKY-UHFFFAOYSA-N 453.258 5.802 50 10 JKGE Fc1cc(Cl)c(Br)c(Cl)c1[C@@H](Br)c1nscc1Br 2313752973 AQRCZWMEDMXRFR-MRVPVSSYSA-N 498.824 6.598 50 10 JKGE FC(F)[C@@H]1CCC[C@@H]1[C@@H](Br)c1ccc(OCc2ccccc2)cc1Br 2314445107 PUTRPZLOOLCWHD-FRQCXROJSA-N 474.183 7.146 50 10 JKGE COCc1csc([C@@H](Br)c2cc(Br)ccc2OCc2ccccc2)c1 2314452867 RDHKZXCZDLHLNX-FQEVSTJZSA-N 482.237 6.720 50 10 JKGE Fc1cc(Cl)cc([C@@H](Br)c2cc(Br)ccc2OCc2ccccc2)c1 2314500283 LXWYLYUXWSFMGI-HXUWFJFHSA-N 484.590 7.305 50 10 JKGE Cc1ccc(Oc2nc3c(C)cccn3c(=O)c2C=C(C#N)C(=O)Nc2cccc(Cl)c2)c(C)c1 2314534139 ZHLQUVYBMFCSKO-UHFFFAOYSA-N 484.943 5.611 50 10 JKGE Brc1cc(Br)cc(CO[C@@H]2CCCCC[C@@H]2I)c1 2315459047 SZEJKFDJWJWOFP-UONOGXRCSA-N 488.001 5.865 50 10 JKGE Cc1cc(Br)c(F)c(Br)c1[C@@H](Br)[C@@H]1C[C@H]1C(F)F 2317404184 RQPVQIDKUGXRQT-KCRUCZTKSA-N 450.918 5.996 50 10 JKGE N#CC(=CN(c1ccccc1)c1ccc(N)cc1)C(=O)Nc1ccc(Cl)c(C(F)(F)F)c1 2325383105 ZOHCOPKFRLSEIM-UHFFFAOYSA-N 456.855 6.125 50 10 JKGE Cc1ccc2nc(-c3ccc(NC=C(C#N)C(=O)Nc4ccc(N)c(Cl)c4)cc3)sc2c1 2325402531 WFRSNMFWRDMXEI-UHFFFAOYSA-N 459.962 5.965 50 10 JKGE CCc1cccc(C)c1N1C[C@H](C(O)=C(C#N)c2nc(-c3ccc(OC)c(OC)c3)cs2)CC1=O 2331242618 UPSQCRPMTAIPEO-LJQANCHMSA-N 489.597 5.544 50 10 JKGE CCc1cccc(C)c1N1C[C@@H](C(O)=C(C#N)c2nc(-c3ccc(OC)c(C)c3)cs2)CC1=O 2331259364 VEAQDODJKCEOJQ-FQEVSTJZSA-N 473.598 5.844 50 10 JKGE C[C@@H](C(O)=C(C#N)c1nc(-c2cccc(Br)c2)cs1)N1C(=O)c2ccccc2C1=O 2331279274 DSJROFWJYKFHKM-LBPRGKRZSA-N 480.343 5.050 50 10 JKGE CCOc1ccc(OCC)c(-c2csc(C(C#N)=C(O)COc3ccc(C)cc3C)n2)c1 2331376063 GOCTVOBJLVYULO-UHFFFAOYSA-N 450.560 6.096 50 10 JKGE Cc1c(C(O)=C(C#N)c2nc(-c3cc(Cl)ccc3Cl)cs2)cc([N+](=O)[O-])cc1[N+](=O)[O-] 2331405588 ZZQFKTMUGRJFHA-UHFFFAOYSA-N 477.285 6.192 50 10 JKGE COc1ccc(-c2csc(C(C#N)=Cc3ccc(OCc4ccccc4Cl)cc3)n2)c(OC)c1 2331473063 CYIBGIUHNIGXLH-UHFFFAOYSA-N 488.996 7.124 50 10 JKGE COc1cc(F)cc([C@@H](Br)c2cc(Br)ccc2OCc2ccccc2)c1 2336043186 CWMDNHRFLPCNLG-OAQYLSRUSA-N 480.171 6.660 50 10 JKGE Brc1ccc(OCc2ccccc2)c([C@H](Br)[C@@H]2CCCCC23CCC3)c1 2336054501 SHCZYWJQEQRKJL-UNMCSNQZSA-N 478.268 7.825 50 10 JKGE CC[C@@](C)(C(F)F)[C@@H](Br)c1c(Br)cc(C)c(Br)c1C 2336618121 ICZBKTIIOCSMGZ-GXTWGEPZSA-N 462.998 6.946 50 10 JKGE Clc1cc(I)c([C@@H](Br)C23CC4CC(CC(C4)C2)C3)s1 2338558690 NTCYCLLVNGHOOB-RHOGJADGSA-N 471.629 6.659 50 10 JKGE Cc1cc(Br)c(F)c(Br)c1[C@@H](Br)CC[C@H]1CCCO1 2339647273 ZHHYDROFWVQZRG-ZJUUUORDSA-N 458.991 6.054 50 10 JKGE COc1ccc(C[C@@H](Br)c2ccc(Cl)cc2I)cc1 2340058357 QRORCSQWRAEWBT-CQSZACIVSA-N 451.529 5.632 50 10 JKGE CC1(C)CCN(Cc2cc(I)ccc2Cl)C[C@@H]1CBr 2352419655 CLBKVLCTVGLIHH-LBPRGKRZSA-N 456.593 5.188 50 10 JKGE Fc1c(Br)cc(Cl)c([C@@H](Br)C2(F)CC3(CCC3)C2)c1Br 2362222941 KOIKGKBFZRZLDZ-GFCCVEGCSA-N 493.411 7.113 50 10 JKGE Fc1c(Br)cc(Cl)c([C@H](Cl)[C@H]2CC[C@@H]2C(F)(F)F)c1Br 2362237569 SHXYNWLMKOFGMV-PVJDKPRJSA-N 458.902 6.873 50 10 JKGE CCCc1sc(Br)cc1[C@H](Br)c1ccc(Br)cc1OC 2363263099 PVIZETGTFQYORL-OAHLLOKOSA-N 483.063 6.719 50 10 JKGE Cc1cc(Br)c(F)c(Br)c1[C@H](Br)[C@@H]1C[C@H]2C[C@H]1[C@H]1C[C@H]12 2365224285 WQJRKTSJJOZDFW-PSXVIKCASA-N 467.014 6.387 50 10 JKGE COCc1ccc([C@@H](Br)c2c(F)cc(Cl)c(Br)c2Cl)s1 2367817080 LZJILNUSVVYVNW-GFCCVEGCSA-N 462.993 6.587 50 10 JKGE CCc1cc(Br)c(OC)c([C@H](Br)c2scc(Cl)c2Cl)c1 2381257380 CYFNOGQVCMYFKG-NSHDSACASA-N 459.030 6.873 50 10 JKGE CC(C)C[C@H](CBr)CN1CCN(C(=O)OC(C)(C)C)[C@@H](C)C[C@@H]1C(F)(F)F 2382180259 BVKVDAUZWYMYSS-ARFHVFGLSA-N 459.391 5.306 50 10 JKGE Cc1cc([C@H]2C(C#N)=C(N)N(c3ccc(Cl)cc3)C3=C2C(=O)C[C@@H](c2ccccc2)C3)c(C)s1 9981338 CMZWEKKBXPEJCD-SIBVEZHUSA-N 486.040 6.717 50 10 JKGE CCCCCN(C(=O)CCCCl)[C@H](CC)c1nc2ccccc2c(=O)n1-c1ccc(F)cc1 16426267 KBQCWVVLYRCCFY-HSZRJFAPSA-N 472.004 6.014 50 10 JKGE CCCCOc1ccc(/C=C(/C#N)C(=O)Nc2scc(-c3ccccc3)c2C(=O)OC)cc1 33645401 HLDOQGVBKAJIDO-HKWRFOASSA-N 460.555 5.926 50 10 JKGE CCOC(=O)c1ccc(-c2ccc(/C=C(/C#N)c3nc(-c4ccc(C)cc4)c(NC(C)=O)s3)o2)cc1 34982924 AQQMPFWNYRUQIR-JCMHNJIXSA-N 497.576 6.578 50 10 JKGE CCCCOc1cccc(-c2nn(-c3ccccc3)cc2/C=C(\C#N)C(=O)Nc2ccc(C)cc2)c1 35446793 SWXFPLVPACYLFQ-HKOYGPOVSA-N 476.580 6.572 50 10 JKGE N#C/C(=C\c1ccc(-c2cccc([N+](=O)[O-])c2)o1)C(=O)Nc1ccc(Cl)c(C(F)(F)F)c1 35518374 SEGZFHJRGSLXAL-UKTHLTGXSA-N 461.783 6.073 50 10 JKGE CCc1ccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)[C@@H](C)Oc4ccc(C(C)C)cc4)ccc32)cc1 38677553 IXSGOCBCKVRDCG-WHLCRQNOSA-N 482.580 5.963 50 10 JKGE COc1c(Cl)cc(C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@H]3c2ccc(F)cc2)cc1Cl 38688062 KIXXUWCSFVMKDD-NRFANRHFSA-N 485.298 5.578 50 10 JKGE CCc1ccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4sc5ccccc5c4Cl)ccc32)cc1 38700430 KJJVGSQNOUAIJG-QHCPKHFHSA-N 486.980 6.554 50 10 JKGE CCOc1cccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4cc([N+](=O)[O-])ccc4Cl)ccc32)c1 40530216 WBQQIHKSFWCQBU-HSZRJFAPSA-N 491.887 5.084 50 10 JKGE Cc1cc(Cl)ccc1NC(=O)c1oc2c(c1C)/C(=N/NC(=O)c1ccc3ccccc3n1)CCC2 40825797 YQERKILIZOYTQK-NJZRLIGZSA-N 486.959 5.821 50 10 JKGE COc1ccc(/C=N/NC(=O)CCCOc2ccc(C(C)(C)C)cc2Br)cc1OC 40951429 MEUJTWLXEBNPGG-MFKUBSTISA-N 477.399 5.073 50 10 JKGE C=CCc1cc(/C=N/NC(=O)CC[C@H](O)c2ccccc2)cc(OCC)c1OCc1ccccc1 58888004 ITMCVQRKHAZIST-RLBBTWETSA-N 472.585 5.357 50 10 JKGE COc1ccc(NC(=O)/C(C#N)=C/c2ccc(OCc3ccc(Br)cc3)cc2)cc1 59433087 CPSHJQIMDFJFSY-XMHGGMMESA-N 463.331 5.582 50 10 JKGE O=C(N/N=C/c1c(Cl)cccc1Cl)c1ccc([C@@H]2Nc3ccccc3[C@H]3C=CC[C@H]32)cc1 59471620 ZBOGLGXFOCHCQI-JJZGKSBKSA-N 462.380 6.584 50 10 JKGE C=CCOc1c(I)cc(/C=C(/C#N)C(=O)Nc2ccccc2Cl)cc1OC 59483538 LGCWNFXDAAFKNR-ZROIWOOFSA-N 494.716 5.064 50 10 JKGE Cc1ccc(CS/C(Nc2ccc(C)c(Cl)c2)=C(/C#N)S(=O)(=O)c2ccccc2)c(C)c1 96482140 VTBQNYSATKESML-IZHYLOQSSA-N 483.058 6.777 50 10 JKGE C=CCNC(=O)/C(C#N)=C1\S[C@@H](Cc2cc(Cl)cc(Cl)c2)C(=O)N1c1ccc(C)c(C)c1 101241969 ZBEWFJHILZJEBK-YWDBVWQESA-N 486.424 5.339 50 10 JKGE Cc1ccc(OCCCn2cc(/C=C(/C#N)C(=O)Nc3nc4ccccc4s3)c3ccccc32)cc1 102443689 NMEZWHOREGXQPH-FXBPSFAMSA-N 492.604 6.574 50 10 JKGE N#CC1=C(S)N(c2ccccc2)[C@@H](/C=C\c2ccc(-c3ccc(Cl)cc3Cl)o2)NC1=O 102957744 QWHDDLHBTAHTHE-OMCJBDSBSA-N 468.365 5.894 50 10 JKGE Brc1ccsc1[C@@H](Br)c1ccc(Br)c2ccccc12 127465600 RIJHLCVBGROUFO-AWEZNQCLSA-N 461.016 6.911 50 10 JKGE Clc1ccc(Br)cc1[C@@H](Br)c1cc(Cl)c(Br)s1 127607847 MCBVUSUHSLSIPK-SNVBAGLBSA-N 479.846 7.064 50 10 JKGE Cc1cc(Cl)c([C@@H](Br)c2cc(Br)c(Br)s2)cc1C 128674637 BPOITPKVVZJECH-GFCCVEGCSA-N 473.455 7.028 50 10 JKGE COc1c(Br)cc(Cl)cc1[C@H](Br)c1cc(Cl)sc1Cl 234780139 ASYRQYVEIUWDQW-JTQLQIEISA-N 465.421 6.964 50 10 JKGE Cc1cc(Br)c([C@@H](Br)c2cc(Cl)cc(Br)c2)s1 235812031 LWTFGAVOEXKOOU-NSHDSACASA-N 459.428 6.719 50 10 JKGE Cc1cc([C@@H](Cl)c2ccc(F)cc2I)c(C)cc1Br 235831732 VQRWINRCCNLLMI-HNNXBMFYSA-N 453.520 6.138 50 10 JKGE Cc1c(C=NNC(=O)c2cc3c(ccc4ccccc43)o2)c2ccccc2n1Cc1ccccc1C#N 252617493 KUDWZXFZUXJINW-UHFFFAOYSA-N 482.543 6.533 50 10 JKGE CCOc1cc(C=NNC(=O)c2cc3c(ccc4ccccc43)o2)ccc1OCc1ccccc1Cl 252628427 SQDGLXMVAOIEMX-UHFFFAOYSA-N 498.966 6.981 50 10 JKGE CCN(CC)c1ccc(C=NNC(=O)CSc2nnc(SCc3ccc(C)cc3)s2)cc1 254291255 KDFQOMMFQUHGGM-UHFFFAOYSA-N 485.704 5.227 50 10 JKGE O=C(CSc1nc2ccccc2n1Cc1ccccc1)NN=Cc1c(O)ccc2ccccc12 254655783 ALDQLSJPFJYHJC-UHFFFAOYSA-N 466.566 5.186 50 10 JKGE CCCCCCCCC(=O)NN=Cc1c(OC(=O)c2ccc(OC)cc2)ccc2ccccc12 254855133 FXBBQMHYYDDTBJ-UHFFFAOYSA-N 460.574 6.268 50 10 JKGE CCOc1ccc(Br)cc1[C@@H](Br)c1ccccc1OCc1ccccc1 312117728 RSCAGWLSVGMGJY-QFIPXVFZSA-N 476.208 6.911 50 10 JKGE Cc1cc(C)c([C@@H](Br)c2c(F)cccc2Br)c(C)c1Br 380056918 TZNSGABLEZDNSQ-MRXNPFEDSA-N 464.998 6.760 50 10 JKGE ClCc1nc2cc(I)ccc2n1[C@@H]1CC[C@@H]2CN(Cc3ccccc3)C[C@@H]21 380747322 MYLKBGYREZYDPV-IMFGXOCKSA-N 491.804 5.463 50 10 JKGE Clc1ccc(Br)c(C[C@H](CBr)Cc2ccc(Br)cc2)c1 380773510 SDKGHFQDKGTXMS-GFCCVEGCSA-N 481.453 6.661 50 10 JKGE Cc1c(Br)cccc1[C@H]1CN(C(=O)OCc2ccccc2)C[C@@H]1CBr 382687790 IFGVPXNHCYFAOL-WMZOPIPTSA-N 467.201 5.505 50 10 JKGE CC(C)(C)[Si](C)(C)OCCN1CCO[C@@H](c2ccc(CO[Si](C)(C)C(C)(C)C)cc2)CC1 616595680 OQPMHXVXUARLAW-XMMPIXPASA-N 479.854 6.994 50 10 JKGE COCc1cc(Br)c([C@@H](Br)c2ccc(C)c(Br)c2)s1 688143732 HJFYSIZUIAUGIX-ZDUSSCGKSA-N 469.036 6.212 50 10 JKGE C[C@H](CBr)[C@@H]1CCCCN1C(=O)c1ccc(Br)cc1Br 696714115 RGGUFVXBHBJSSL-YGRLFVJLSA-N 468.027 5.237 50 10 JKGE N#Cc1cc(Br)ccc1COc1cccc(Br)c1CBr 706852130 SAVSJVDKMMXGLT-UHFFFAOYSA-N 459.963 5.557 50 10 JKGE Fc1cccc([C@@H](Br)c2sccc2Br)c1I 721672238 KVYNDCSYCFYSSL-SECBINFHSA-N 475.946 5.739 50 10 JKGE O=C(CSc1nc2ccccc2[nH]1)NN=Cc1ccc(OCc2ccc(Cl)cc2Cl)cc1 1084248818 NYDRUUILJXJNQG-UHFFFAOYSA-N 485.396 5.691 50 10 JKGE N#C/C(=C/c1ccccc1OCc1ccccc1Cl)C(=O)Nc1ccc(Cl)c(Cl)c1 1084291066 PONGCFLOSIRSBG-BOPFTXTBSA-N 457.744 6.771 50 10 JKGE Cc1cc(C=NNC(=O)c2ccccc2Br)c(C)n1-c1cc(Cl)ccc1Cl 1084436332 VFPGRTAULVVUEX-UHFFFAOYSA-N 465.178 5.927 50 10 JKGE CN(C(=O)OC(C)(C)C)[C@@H]1Cc2cc(F)ccc2C1=NNC(=O)Nc1ccc(OC(F)(F)F)cc1 1088698490 GLLCKOFEKHDNOS-GOSISDBHSA-N 496.461 5.042 50 10 JKGE COc1ccc(-c2nn(-c3ccccc3Cl)c3c2[C@H](c2cccc(O)c2)C(C#N)=C(N)O3)cc1 1865681670 SQHLCNJPQYQCEO-JOCHJYFZSA-N 470.916 5.125 50 10 JKGE COc1ccc([C@H]2C(C#N)=C(N)Oc3c2c(C(F)(F)F)nn3-c2ccc(Cl)c(Cl)c2)cc1O 1865682870 ZIUFIEJQGYEAGM-INIZCTEOSA-N 497.260 5.130 50 10 JKGE CCCc1nn(-c2ccc(Br)cc2)c2c1[C@H](c1ccccc1Cl)C(C#N)=C(N)O2 1865686647 YJGMETGDSFCCBQ-LJQANCHMSA-N 469.770 5.459 50 10 JKGE CCCOc1cccc([C@H]2C(C#N)=C(N)Oc3c2c(C(F)(F)F)nn3Cc2ccccc2Cl)c1 1865693313 IVGYVLQTQZFNIO-IBGZPJMESA-N 488.897 5.611 50 10 JKGE CCCOc1ccc([C@H]2C(C#N)=C(N)Oc3c2c(C)nn3Cc2ccc(Cl)c(Cl)c2)cc1 1865694471 VUVLTXYCGBQHGB-QFIPXVFZSA-N 469.372 5.554 50 10 JKGE COc1ccc(-c2nn(-c3ccc(Cl)cc3)c3c2[C@@H](c2cccc(OC)c2)C(C#N)=C(N)O3)cc1 1865711685 FULXCHKTCARBER-QHCPKHFHSA-N 484.943 5.428 50 10 JKGE C[C@H](NC(=O)CC(c1ccc(F)cc1)c1ccc(F)cc1)C(=O)Nc1ccc(SC#N)cc1 1866761413 AEQWHAYWBKCWSN-INIZCTEOSA-N 465.525 5.203 50 10 JKGE Cc1cc(OCc2cccc(CCl)c2)cc2c1C(=O)/C(=C/c1ccc(Br)cc1)O2 1871436901 BAATWMZSLFRHJL-JJFYIABZSA-N 469.762 6.692 50 10 JKGE COc1c(Cl)cc(-c2csc(/C(C#N)=C(O)/C=C/c3cccc([N+](=O)[O-])c3)n2)cc1Cl 1872755740 CVOGDLAJWOIIQW-VDRRSSSNSA-N 474.325 6.540 50 10 JKGE N#C/C(=C\c1ccc(OCc2ccccc2Cl)cc1)c1nc(-c2ccc3ccccc3c2)cs1 1872782486 HXSHLBPRWKTZPG-MFKUBSTISA-N 479.004 8.260 50 10 JKGE Cc1ccccc1COc1ccc(/C=C(\C#N)c2nc(-c3ccc4c(c3)CCCC4)cs2)cc1 1872782513 JRTGXBOYXCHISV-JVWAILMASA-N 462.618 7.641 50 10 JKGE CC(C)C[C@H](NC(=O)OC(C)(C)C)C(=O)N/N=C/c1cccc(OCc2cccc(Cl)c2)c1 1873793294 HOQJCOQLQAMHHG-QYJQOTDOSA-N 474.001 5.309 50 10 JKGE C[C@@H]1[C@@H](Br)CC[C@H]1Cc1ccc(I)c(Br)c1 1904330492 VRRXIOBIACPPNT-LSJOCFKGSA-N 457.975 5.406 50 10 JKGE C[C@@H](CCBr)N(Cc1ccccc1)C(=O)c1cccc(OCc2ccccc2)c1 1915091143 TZRGLJDMQXXHFE-FQEVSTJZSA-N 452.392 6.082 50 10 JKGE Cc1c(Br)sc([C@@H](Br)C[C@@H](C)C(F)(F)F)c1Br 1922912750 QGIAEFNGMFALNB-XINAWCOVSA-N 458.963 6.606 50 10 JKGE Cc1c(Br)sc([C@H](Br)[C@@H]2C[C@H]3C[C@H]2[C@H]2C[C@H]23)c1Br 1922935351 OTPWOJYNCVPTFV-VBYQPCTPSA-N 455.053 6.310 50 10 JKGE Fc1ccc([C@H](Cl)c2sc(Br)cc2Br)cc1Br 1922944454 YXRKMPULKMSWHA-JTQLQIEISA-N 463.391 6.503 50 10 JKGE Cc1cccc([C@H](Br)c2c(Br)sc(Br)c2Cl)c1Cl 1923055083 OKXANTKGRGUUNF-QMMMGPOBSA-N 493.873 7.373 50 10 JKGE Cl[C@H](Cc1ncccc1Br)c1cc(Br)c(Br)s1 1924910217 TVAATIQKMUBQDI-MRVPVSSYSA-N 460.416 5.953 50 10 JKGE Cc1sc(Br)c([C@@H](Cl)c2sc(Br)cc2Br)c1C 1951017367 AGIXIIQNINJICQ-SECBINFHSA-N 479.484 7.042 50 10 JKGE CN(Cc1cc(Br)ccc1Br)C[C@H](Cl)COCc1ccccc1 1982458259 UNVOLHMSUPNJPA-KRWDZBQOSA-N 461.625 5.468 50 10 JKGE O=C(c1c(Cl)cccc1Br)N(Cc1ccccc1)C1(CBr)CCC1 2003558425 VALXLZSREQDONF-UHFFFAOYSA-N 471.620 6.063 50 10 JKGE CC1(C)CC[C@H](NCCSSCCNC(=O)OC(C)(C)C)[C@H](OCc2ccccc2)C1 2010827423 QSUOIQRHIGAQFL-LEWJYISDSA-N 468.729 5.646 50 10 JKGE Brc1cc([C@H](Br)c2csc(I)c2)cc2c1OCC2 2030022927 VTTMWFBYDAWSGL-LBPRGKRZSA-N 499.993 5.534 50 10 JKGE CCc1sc(Br)cc1[C@H](Br)c1cc(Br)ccc1F 2030220454 LJDHACUNSBQMQO-CYBMUJFWSA-N 457.000 6.459 50 10 JKGE C=CCN(CC(=C)Br)c1c(CBr)ccc(Br)c1Cl 2036848418 LWTXLPZUFKYZTI-UHFFFAOYSA-N 458.419 5.898 50 10 JKGE Cc1ccc(N2C(c3ccc(Cl)cc3)=CSC2=C(C#N)c2nc3ccccc3s2)cc1 2040469519 AZDBXGPIXGEOHS-UHFFFAOYSA-N 458.011 7.702 50 10 JKGE CCN(C[C@@](C)(CI)OCC1CC2(C1)CC21CC1)C(=O)OC(C)(C)C 2072213336 SCNBWPBXOSFDKQ-RVSXGSNBSA-N 463.400 5.034 50 10 JKGE CN(C(=O)c1cccc(Br)c1Br)[C@H](CBr)C(C)(C)C 2092332003 AFNCOYSPGIHVPL-LLVKDONJSA-N 456.016 5.093 50 10 JKGE BrCc1cc(Br)cc(Br)c1OCC(C1CC1)C1CC1 2093061112 HRHLPQGKTMZQEP-UHFFFAOYSA-N 453.012 5.922 50 10 JKGE Cc1cc([C@H](Cl)c2c(Br)cccc2Br)c(C)cc1Br 2094091326 RVUAFRBBHJQMFG-HNNXBMFYSA-N 467.426 6.919 50 10 JKGE CC(C)(C)OC(=O)NC[C@@H]1CC[S@](=O)(=NCCCCCCCCCBr)C1 2106782324 PNZGAOLLEUBAEE-MRDQGFSESA-N 453.487 5.125 50 10 JKGE CCCC(CBr)(CCC)CN=S1(=O)CCC(NC(=O)OC(C)(C)C)CC1 2106788724 RXPNKNUZRBUJLP-UHFFFAOYSA-N 453.487 5.123 50 10 JKGE C[C@@H](c1cc(Br)cs1)N(C)c1ccc(Br)cc1CBr 2130024419 YIUSTOKLNYUNPZ-VIFPVBQESA-N 468.052 6.365 50 10 JKGE Cc1c(Br)sc([C@@H](Br)C23CCC(C)(CC2)OC3)c1Br 2133547068 CBRKWJQABKUVDN-LMWSTFAQSA-N 473.068 6.367 50 10 JKGE BrCc1cc(Br)c(OC[C@H]2[C@H]3[C@H]4C[C@@H]2C[C@H]43)c(Br)c1 2134443459 WMHCQWHBLMPGFU-UKRLYRRISA-N 450.996 5.387 50 10 JKGE CO[C@@H]1C[C@]2([C@H](Br)c3c(C)c(Br)cc(C)c3Br)C[C@H]12 2136371724 PXZYFMWLZZQVEQ-NZQZLILVSA-N 453.012 5.689 50 10 JKGE Cc1cc(Cl)c([C@H](Br)c2c(Br)cccc2Br)cc1Cl 2136691480 HCZZOEVFMDPMLX-AWEZNQCLSA-N 487.844 7.311 50 10 JKGE Cc1c(Br)ccc([C@H](Br)[C@@H]2[C@H](C)O[C@@H](C)[C@H]2C)c1Br 2138853991 RNSGQTPSXURTSC-STWXQJFLSA-N 455.028 6.016 50 10 JKGE Cc1c(Br)ccc([C@H](Cl)c2cc(Cl)ccc2Br)c1Br 2138865025 PWUICDFENMIMQE-AWEZNQCLSA-N 487.844 7.264 50 10 JKGE Cc1c(Br)ccc([C@H](Br)[C@@H]2C[C@H](C)O[C@H](C)C2)c1Br 2138866470 UHHXNQALYMRMQN-HHFXWNNXSA-N 455.028 6.160 50 10 JKGE Clc1cc([C@H](Br)c2cc(Br)c3c(c2)CCO3)ccc1Br 2146627216 IYBHMNDMABGZIS-AWEZNQCLSA-N 481.409 6.284 50 10 JKGE CC1(C)C[C@@H](n2c(CCl)nc3ccc(F)c(Br)c32)[C@@H]1OCc1ccccc1 2156372560 GMYITNYTMLUBAG-UZLBHIALSA-N 451.767 6.233 50 10 JKGE O=C(NC[C@H]1CC12CCC(Br)CC2)c1csc(Br)c1Br 2157509325 ITZDCLYRYVQEHA-NQTXRORDSA-N 486.067 5.347 50 10 JKGE CCCCCCCCCC[C@H](Br)c1cc(Br)ccc1Br 2164503928 XEVKROPPBZRLLB-INIZCTEOSA-N 469.099 8.178 50 10 JKGE BrC[C@]12CCCC[C@@H]1N(c1ncc(Br)cc1Br)CCC2 2165239433 CUGKELBGPXWQGO-DZGCQCFKSA-N 467.043 5.531 50 10 JKGE CCC1CCC(COc2c(Br)cc(Br)cc2CBr)CC1 2193010054 WQHHVZGKKDVTJM-UHFFFAOYSA-N 469.055 6.702 50 10 JKGE COc1cc(C)c([C@H](Br)c2cccc(Br)c2Cl)cc1Br 2198737743 SFWMQDIUYGYEQV-CQSZACIVSA-N 483.425 6.666 50 10 JKGE Cc1cc([C@H](Cl)c2scc(C(F)(F)F)c2Br)ccc1I 2207101015 DRZDOSMHAMLPMW-NSHDSACASA-N 495.529 6.771 50 10 JKGE COc1cc(F)c(Cl)cc1[C@H](Br)c1cc(I)ccc1F 2207370458 FSTYRXSXOWLLCA-CQSZACIVSA-N 473.482 5.716 50 10 JKGE Fc1cc(Br)c(Br)cc1[C@H](Cl)c1cscc1Br 2213493210 UBQQEEOYPFIILU-NSHDSACASA-N 463.391 6.503 50 10 JKGE Cc1c(Br)csc1[C@H](Br)c1c(Cl)sc(Cl)c1Cl 2213774996 OYXANZALKAZZGI-ZCFIWIBFSA-N 455.451 7.325 50 10 JKGE Fc1cc(Br)c(Br)cc1[C@@H](Br)[C@H]1CCCC1(F)F 2218599252 ZMSAVXDACBHRBX-RDDDGLTNSA-N 450.918 6.222 50 10 JKGE Cc1csc([C@H](Br)c2ccc(Br)c(C)c2Br)c1C 2218823943 ONYYFMRVTWXZQW-CYBMUJFWSA-N 453.037 6.683 50 10 JKGE CC[C@]12CO[C@]([C@H](Br)c3cc(Br)c(Br)cc3F)(C1)C2 2225617016 LHXZVGQTHCWFLO-MCIONIFRSA-N 456.975 5.746 50 10 JKGE ClCc1ccc(Br)c(Cl)c1N1[C@H]2CCC[C@@H]1CN(Cc1ccccc1)C2 2226318418 CRSHUWOOIAJACI-HDICACEKSA-N 454.239 6.085 50 10 JKGE CC[C@@]1([C@H](Br)c2c(Br)cc(C)c(Br)c2C)CC1(F)F 2227369673 ODTQIFPRFBINHY-OLZOCXBDSA-N 460.982 6.700 50 10 JKGE Fc1cc(F)c([C@@H](Br)c2cccc(Br)c2)c(F)c1Br 2227806152 HNAZHVMKPLJYSU-NSHDSACASA-N 458.897 6.113 50 10 JKGE Clc1cc(Br)c([C@@H](Br)[C@H]2CCCC23CCC3)c(Cl)c1Cl 2232509832 FCPNINANWDVDCP-PELKAZGASA-N 461.452 7.816 50 10 JKGE Cc1cc(Br)sc1[C@@H](Cl)c1ccc(Cl)c(I)c1 2248222029 XDHHIHZOHQWGMH-NSHDSACASA-N 461.977 6.405 50 10 JKGE Fc1ccc(C[C@@H](Br)c2ccc(Cl)c(I)c2)cc1F 2268323619 RVCFACVETKCTFQ-SNVBAGLBSA-N 457.483 5.902 50 10 JKGE Clc1ccc([C@H](Cl)Cc2cc(Br)cc(Br)c2)c(Br)c1 2277963268 RQUREVSYCNYHEL-CQSZACIVSA-N 487.844 7.150 50 10 JKGE COc1c(Br)cc(Cl)cc1[C@H](Cl)c1cc(Br)c(Cl)s1 2277996812 YBHVQRVDHZFONA-JTQLQIEISA-N 465.421 6.917 50 10 JKGE COc1cc(Cl)c([C@H](Cl)c2c(F)cccc2I)cc1Br 2282896749 LZFAGNCJLQIXHN-AWEZNQCLSA-N 489.937 6.183 50 10 JKGE COc1ccc([C@H](Br)c2cccc(Cl)c2Br)c(Cl)c1Cl 2283200462 RMNYNCCKDVYODC-LLVKDONJSA-N 459.392 6.902 50 10 JKGE COc1c([C@H](Br)c2cocc2Br)cc(Br)c2c1CCC2 2285987807 OKSDDNIPJUBODF-AWEZNQCLSA-N 464.979 5.786 50 10 JKGE CCOc1cc(C=C(C#N)c2cccc([N+](=O)[O-])c2)cc(Cl)c1OCc1ccccc1F 2294280011 QLWYQRIESGTILV-UHFFFAOYSA-N 452.869 6.429 50 10 JKGE Brc1cc(Br)cc(C[C@@H](Br)c2ccc3nsnc3c2)c1 2295329103 DGYQVAHISLHQOV-GFCCVEGCSA-N 477.019 5.895 50 10 JKGE C[C@]1([C@@H](Br)Cc2cc(Br)cc(Br)c2)CCCCC1(F)F 2295332628 ZGNJIRPIPZIORF-UONOGXRCSA-N 475.009 6.733 50 10 JKGE CS(=O)(=O)c1cscc1[C@@H](Cl)Cc1cc(Br)cc(Br)c1 2295335758 NUQBWGTYIICLGX-LBPRGKRZSA-N 458.624 5.199 50 10 JKGE Cc1ccc(N2C(=O)[C@@H](Cc3ccc(Cl)cc3)SC2=C(C#N)C(=O)Nc2ccc(F)cc2)cc1 2296634658 WYVSQOYOLDKFOH-HSZRJFAPSA-N 491.975 5.853 50 10 JKGE Brc1ccc(OCc2ccccc2)c2c1[C@H](Br)C[C@@H](C1CC1)CC2 2299517610 MNSSTRHREMXRTN-QFBILLFUSA-N 450.214 6.827 50 10 JKGE COc1csc([C@H](Br)c2ccc(OCc3ccccc3)cc2Br)c1 2299529342 ARJBJTVNKZVIQR-LJQANCHMSA-N 468.210 6.583 50 10 JKGE COCC1([C@@H](Br)c2cc(Br)ccc2OCc2ccccc2)CCC1 2299532469 HGWKHOYSKVVNJR-IBGZPJMESA-N 454.202 6.281 50 10 JKGE Cc1c(Cl)sc(Cl)c1[C@H](Cl)c1csc(Br)c1Br 2299547779 OIBNLHBKVHVHIN-SSDOTTSWSA-N 455.451 7.278 50 10 JKGE Cl[C@H](Cc1cc(Br)cc(Br)c1)c1cnsc1Br 2300334762 XJBYPPQKSDOREA-SNVBAGLBSA-N 460.416 5.953 50 10 JKGE FC1CC(CBr)(CSc2cc(I)ccc2Br)C1 2300791673 CGDOWENNJUNFNB-UHFFFAOYSA-N 494.005 5.659 50 10 JKGE CCOc1ccc(NC(=O)C(C#N)=Cc2cc(Cl)ccc2OCc2cccc(Cl)c2)cc1 2313676584 GJRBZBKIMHISRX-UHFFFAOYSA-N 467.352 6.517 50 10 JKGE FC1(F)[C@@H]([C@H](Br)c2ccc(OCc3ccccc3)cc2Br)C12CCC2 2314454867 JSYUXCYHROAKPA-MSOLQXFVSA-N 472.167 6.900 50 10 JKGE N#CC(=Cc1ccccc1OCC(=O)Nc1ccccc1)c1nc(O)c2cc(Cl)ccc2n1 2314490404 YFGLHMNLHXTXME-UHFFFAOYSA-N 456.889 5.070 50 10 JKGE Fc1cc(F)c([C@H](Br)c2sc(Br)cc2Br)cc1F 2314553946 NTZMPGMXDIVDCL-JTQLQIEISA-N 464.926 6.175 50 10 JKGE N#CC(=Cc1ccc(-c2c(Cl)cccc2Cl)o1)c1nc(-c2ccc([N+](=O)[O-])cc2)cs1 2314571864 NKYDCXPMTPPOJS-UHFFFAOYSA-N 468.321 7.349 50 10 JKGE CCCN1C(=O)C(=Cc2ccc(OCc3ccc(Cl)cc3)c(OCC)c2)C(C)=C(C#N)C1=O 2314610172 DIKWABYGFSUTRO-UHFFFAOYSA-N 464.949 5.320 50 10 JKGE COc1cc(C=C2C(=O)N(Cc3ccccc3)C(=O)C(C#N)=C2C)ccc1OCc1ccccc1Cl 2314618321 LHOCPAJOPPCLFT-UHFFFAOYSA-N 498.966 5.720 50 10 JKGE COc1cc(C=C2C(=O)N(Cc3ccccc3Cl)C(=O)C(C#N)=C2C)ccc1OCc1ccccc1 2314620992 XZHXHRVGTYETHR-UHFFFAOYSA-N 498.966 5.720 50 10 JKGE CCCCOc1ccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)C=Cc4ccccc4)ccc32)cc1OC 2314634626 PRAJLHROTUMBNG-LJAQVGFWSA-N 496.563 5.711 50 10 JKGE ClCc1cc(Br)cnc1Oc1cc(Br)cc(Br)c1 2316830714 KFTZZMSQBVFNSH-UHFFFAOYSA-N 456.359 5.900 50 10 JKGE Cc1cc(Br)c(F)c(Br)c1[C@@H](Cl)c1sncc1Br 2317403629 PJAOWQCDJKYDRQ-SECBINFHSA-N 478.406 6.206 50 10 JKGE Cc1c(Br)sc([C@@H](Cl)c2ccc(Cl)cc2I)c1C 2317775214 UWCOAPUDSABLSK-NSHDSACASA-N 476.004 6.714 50 10 JKGE CCCOc1ccc(C=NNC(=O)c2ccc(-c3ccc(F)c(F)c3)nc2C)cc1OCC 2321215873 IPYBSKDDPYSFPZ-UHFFFAOYSA-N 453.489 5.287 50 10 JKGE N#CC(=Cc1cccc(Br)c1)C(=O)NC[C@@H](c1c(F)cccc1Cl)N1CCCC1 2329694635 CXOPVVGKEKPHCJ-FQEVSTJZSA-N 476.777 5.102 50 10 JKGE COc1cc(Cl)c(C)cc1-c1csc(C(C#N)=C(O)[C@@H](C)Oc2ccc(C(C)C)cc2)n1 2331390118 KMLOWYBBXDLPSF-MRXNPFEDSA-N 469.006 7.164 50 10 JKGE C[C@]1([C@H](Br)c2c(Cl)cc(Br)c(F)c2Br)CCCOC1 2337086595 NTCVFNUQMATVNX-OLZOCXBDSA-N 479.409 6.257 50 10 JKGE COc1cc(CBr)cc(Cl)c1OCc1sccc1I 2338754057 CRNGFAQDASUJNV-UHFFFAOYSA-N 473.557 5.489 50 10 JKGE Cc1cc(Br)c(F)c(Br)c1[C@H](Br)CC[C@@H]1CCOC1 2339652202 XBYYCUJPACDCMM-NXEZZACHSA-N 458.991 5.912 50 10 JKGE CCC(CC)(CC)[C@H](Br)c1c(C)cc(Br)c(F)c1Br 2339656928 SKJGSSGZLLPKEZ-CQSZACIVSA-N 459.035 7.312 50 10 JKGE C[C@](CBr)(Cc1cc(I)ccc1Cl)C1CCCCC1 2352418529 XBSLDTWBCQCBPT-MRXNPFEDSA-N 455.605 6.469 50 10 JKGE C[C@@H]1[C@H](Br)C[C@H]2CC[C@H]1N2Cc1cc(I)ccc1Cl 2352423731 KHSJFSNXTLIUMI-QGMIFYJMSA-N 454.577 5.081 50 10 JKGE Cc1ccc([C@H](Br)c2c(F)cc(Cl)c(Br)c2Cl)cc1Cl 2360421483 CQRMEWGZHRSFTL-LBPRGKRZSA-N 461.383 7.341 50 10 JKGE Fc1c(Br)cc(Cl)c([C@H](Br)[C@@H]2CCCCC2(F)F)c1Br 2362231293 VTUPTRCTTCIJPU-QUBYGPBYSA-N 499.390 7.266 50 10 JKGE COc1c(Br)cc(C)c([C@@H](Br)[C@@]2(C)CCCCO2)c1Br 2365194691 UGPAPGRGKPHTSR-HUUCEWRRSA-N 471.027 5.924 50 10 JKGE COc1c(F)cc([C@H](Br)c2cc(I)ccc2F)cc1F 2370456621 OQSVSEAOIIXRTO-ZDUSSCGKSA-N 457.027 5.201 50 10 JKGE CCN(CC)c1ccc([C@H]2C(C#N)=C3N=C(N)c4ccccc4N3C3=C2C(=O)CC(C)(C)C3)cc1 3654494 OZYNYLITHIRUEW-VWLOTQADSA-N 465.601 5.234 50 10 JKGE CC(=O)c1ccc(C(=O)N(/N=C/c2coc3ccccc3c2=O)c2nc3ccc(F)cc3s2)cc1 9149151 CUDJCPPARQLLFJ-XODNFHPESA-N 485.496 5.425 50 10 JKGE COc1ccccc1NC(=O)/C(C#N)=C1/S[C@H](Cc2ccccc2Cl)C(=O)N1c1ccccc1 34871787 IKFYEXXIPNLNKR-HWBIBUKPSA-N 489.984 5.414 50 10 JKGE C[C@@H](Oc1ccc(F)cc1)C(=O)Oc1ccc2c(c1)OC(N)=C(C#N)[C@@H]2c1cccc(Cl)c1 38651210 IJUDPHDHHCEQPS-QKFKETGDSA-N 464.880 5.070 50 10 JKGE N#CC1=C(N)Oc2cc(OC(=O)c3ccccc3Cl)ccc2[C@@H]1c1ccc(Cl)c(Cl)c1 38655695 OPQLXCYMRYQMKL-NRFANRHFSA-N 471.727 6.084 50 10 JKGE C=CCOc1ccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4cccc(OCC)c4)ccc32)cc1 38658210 QEBZTSAAIVCEAT-AREMUKBSSA-N 468.509 5.087 50 10 JKGE CCc1ccc(O[C@H](C)C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@@H]3c2ccc(SC)cc2)cc1 38682555 QUJONRUBTIQAMW-WGDIFIGCSA-N 486.593 5.562 50 10 JKGE CCc1cccc(OCC(=O)N/N=C/c2cc(Br)c(OCc3ccccc3)c(OC)c2)c1 40889023 WYDFKWZINDSBCE-JFLMPSFJSA-N 497.389 5.128 50 10 JKGE O=C(CN(Cc1ccccc1)Cc1ccccc1)N/N=C/c1ccc2cc3ccccc3cc2c1 59147696 ZAGBXSFSMPOCQG-UZWMFBFFSA-N 457.577 6.146 50 10 JKGE N#C/C(=C\c1cc(Br)ccc1OCc1ccc(Cl)cc1Cl)C(=O)NC1CCCC1 59292010 CTHMAYPCTFFZBO-CXUHLZMHSA-N 494.216 6.301 50 10 JKGE C=CCc1cc(/C=N/NC(=O)c2cc3ccccc3o2)cc(Br)c1OCc1ccccc1 59304022 JQGVBCNOGBMGGR-LQKURTRISA-N 489.369 6.267 50 10 JKGE COc1cc(/C=N/NC(=O)c2cc3ccccc3o2)ccc1OCc1ccc2ccccc2c1 59305313 ZXAMYDTWCCHOOL-STBIYBPSSA-N 450.494 5.938 50 10 JKGE COc1cc(/C=N\NC(=O)c2cccc(Cl)c2)ccc1Oc1ccc(C(F)(F)F)cc1[N+](=O)[O-] 59462993 DCBTYVKQDKASNV-PPDIBHTLSA-N 493.825 5.832 50 10 JKGE N#C/C(=C/c1ccc(OCc2ccc(Br)cc2)cc1)C(=O)NCc1cccs1 59534382 CEFJCMABTJCGFH-PDGQHHTCSA-N 453.361 5.313 50 10 JKGE CCCC[C@H](CC)CN(C(=O)CCl)[C@H](C(=O)NC1CCCCC1)c1ccc(OC)cc1 97914335 UNNKODKAFZVWCT-CYFREDJKSA-N 451.051 5.469 50 10 JKGE CCOc1ccc([C@H](C(=O)NC2CCCCC2)N(CCC2=CCCCC2)C(=O)CCl)cc1OC 97914656 OSKCLHKGALJJBS-AREMUKBSSA-N 491.072 5.542 50 10 JKGE COc1cc(/C=C(/C#N)c2ccccc2)c(Br)cc1OCc1ccccc1Cl 101394044 HPBXHBGOPVEDEN-ODLFYWEKSA-N 454.751 6.754 50 10 JKGE C=CCOc1ccc(-c2nn(-c3ccccc3)cc2/C=C(\C#N)C(=O)Nc2ccc(C)cc2)cc1C 102860501 GLKWLPOSFHKTQC-HKOYGPOVSA-N 474.564 6.267 50 10 JKGE BrCC(CBr)(Cc1ccccc1)Cc1ccc(Br)cc1 118875786 SQFCKZLLHTVMCF-UHFFFAOYSA-N 461.035 6.011 50 10 JKGE Fc1ccc(CC(CBr)(CBr)c2ccccc2Br)cc1 118878928 RJCYJSZDJOGPLP-UHFFFAOYSA-N 464.998 5.859 50 10 JKGE C[C@H](Br)c1ccccc1NC(=O)c1cc(Br)c(Br)s1 125427848 PONBSKTUTAFLNY-ZETCQYMHSA-N 468.008 5.981 50 10 JKGE Cc1cc(Br)cc([C@H](Br)c2ccc(Br)c3ccccc23)c1 132014418 LHQBRYADLOMSMX-SFHVURJKSA-N 469.014 7.158 50 10 JKGE Brc1ccc([C@@H](CI)OCc2cccc(Br)c2)cc1 162541988 JHPUEIGKIQEZPA-OAHLLOKOSA-N 495.980 5.905 50 10 JKGE CC1=C(C#N)C(=O)N(Cc2ccco2)C(=O)/C1=C\c1cn(-c2ccccc2)nc1-c1cc(C)ccc1C 214314855 KZVHCXYDTJOEOB-YSMPRRRNSA-N 488.547 5.542 50 10 JKGE CC[C@H](N/C=C(/C#N)C(=O)Nc1ccc(Cl)c(C(F)(F)F)c1)c1ccc2c(c1)CCCC2 217249410 GYQAASZAMPGXAT-JIDPPIHHSA-N 461.915 6.324 50 10 JKGE Clc1cnccc1C[C@H](Cl)c1cc(Br)ccc1I 236023526 JEAYFCDKHWVAGP-NSHDSACASA-N 456.936 5.625 50 10 JKGE Clc1cc([C@@H](Cl)c2ccc(Br)cc2Br)sc1Br 236038791 JPRQQAJFVYQMOV-JTQLQIEISA-N 479.846 7.017 50 10 JKGE COc1cc(C=NNC(=O)CSc2nnc(-c3ccccc3)s2)ccc1OCc1ccccc1 256028243 ALKGVFLKHYSAAL-UHFFFAOYSA-N 490.610 5.035 50 10 JKGE Cc1cc(Br)c([C@@H](Br)c2cc(Cl)c(C)cc2Br)s1 310794264 RLYPQPOXRINZJP-LBPRGKRZSA-N 473.455 7.028 50 10 JKGE C[C@@H](Cl)c1nc2ccccc2n1-c1ccc(Br)c(I)c1 312607765 PTKGBFXDQMEYKP-SECBINFHSA-N 461.528 5.692 50 10 JKGE ClCc1nc2ccc(Cl)cc2n1-c1ccc(I)c(Br)c1 380007310 CLWWQAYOXWSUBW-UHFFFAOYSA-N 481.946 5.785 50 10 JKGE COc1cc(F)c(Br)cc1[C@H](Br)c1cc(Br)oc1C 396630718 ZLXGABROAABNKP-CYBMUJFWSA-N 456.931 5.745 50 10 JKGE N#CSc1ccc(NC(=O)c2cccc(NC(=O)N(Cc3ccccc3)c3ccccc3)c2)cc1 586673786 IKYXNFKRFHYXRB-UHFFFAOYSA-N 478.577 6.751 50 10 JKGE CC(C)(C)[Si](C)(C)OCCc1cccc([C@@H]2CN(Cc3ccccc3)c3ccccc3N2)c1 616583975 MANCWVGSZUANSO-MHZLTWQESA-N 458.722 7.424 50 10 JKGE CC(C)(C)[Si](C)(C)OCCc1ccc([C@@H]2CCCCCN2CCO[Si](C)(C)C(C)(C)C)cc1 616625894 WXKLPNADZMTUAN-SANMLTNESA-N 491.909 8.190 50 10 JKGE CC(C)(C)OC(=O)NCCN1C[C@H](c2cccc(CO[Si](C)(C)C(C)(C)C)c2)Nc2ccccc21 616683635 HULMVCHRXHPUDP-XMMPIXPASA-N 497.756 6.706 50 10 JKGE Brc1cc([C@@H](Br)c2occc2Br)c(Br)s1 696489332 DBKMZKSJROPRNL-SSDOTTSWSA-N 479.813 6.113 50 10 JKGE COc1ccc(OC)c([C@@H](Br)c2scc(Br)c2Br)c1 705468429 UIAFVFCFKBXJBW-LLVKDONJSA-N 471.008 5.775 50 10 JKGE CCCCCCOc1ccc([C@@H]2CN(C(=O)OC(C)(C)C)C[C@@H]2CI)cc1 725431390 VWVAWKLPFLTZFS-ICSRJNTNSA-N 487.422 6.031 50 10 JKGE C=CCc1cc(C=NNC(=O)c2cc3ccccc3o2)cc(OCC)c1OCc1cccc([N+](=O)[O-])c1 1083922588 OWQLUMCHDHNKHT-UHFFFAOYSA-N 499.523 5.811 50 10 JKGE CCOc1cc(/C=C(/C#N)C(=O)Nc2ccc(Cl)c(Cl)c2)ccc1OCc1cccc(F)c1 1084286272 JHGCLLFNDZTZOJ-ZDLGFXPLSA-N 485.342 6.656 50 10 JKGE Fc1ccc(C(F)(F)F)cc1[C@H]1CN(Cc2ccccc2)C[C@H]1CI 1614691800 ITCSZZZFHKZJDV-PBHICJAKSA-N 463.256 5.495 50 10 JKGE CC1(C)[C@H](/C=C(\Cl)C(F)(F)F)[C@@H]1C(=O)OC(=O)[C@@H]1[C@H](/C=C(\Cl)C(F)(F)F)C1(C)C 1848440315 ZECUHEDDUFLFSO-WOXLCVNCSA-N 467.233 5.971 50 10 JKGE CC(C)(C)C1CCC(OC(=O)COc2cccnc2NC(=O)Oc2ccc([N+](=O)[O-])cc2)CC1 1858688974 NWWGWVZCZLVWEW-UHFFFAOYSA-N 471.510 5.128 50 10 JKGE COc1ccc(-c2nn(-c3ccc(Cl)cc3)c3c2[C@H](c2ccc(Cl)cc2)C(C#N)=C(N)O3)cc1 1865683904 QBUABWNFBVKQAA-JOCHJYFZSA-N 489.362 6.073 50 10 JKGE CC(C)c1ccc([C@@H]2C(C#N)=C(N)Oc3c2c(-c2ccccc2)nn3Cc2ccccc2Cl)cc1 1865686567 XSZNNQLHJGLQLU-RUZDIDTESA-N 480.999 6.593 50 10 JKGE CCCOc1ccccc1[C@@H]1C(C#N)=C(N)Oc2c1c(CC)nn2-c1ccc(Cl)c(Cl)c1 1865702739 CZVXQTHUVHDSGN-OAQYLSRUSA-N 469.372 5.748 50 10 JKGE CCc1nn(Cc2ccccc2)c2c1[C@H](c1ccc(OCc3ccccc3C)cc1)C(C#N)=C(N)O2 1865703132 NTDISCJCZPDOEZ-HHHXNRCGSA-N 476.580 5.599 50 10 JKGE N#CC1=C(N)Oc2c(c(-c3ccccc3)nn2Cc2ccccc2Cl)[C@H]1c1ccccc1C(=O)O 1865704075 MGSQONPHALGVLP-QFIPXVFZSA-N 482.927 5.168 50 10 JKGE Cc1ccc(CCCC(=O)NNC(=O)c2ccc(-c3ccc(Cl)c(Cl)c3)nc2C)c(C)c1 1865759164 LKLSFBKIDGKUCA-UHFFFAOYSA-N 470.400 5.765 50 10 JKGE Cc1nc(-c2ccc(Cl)cc2Cl)ccc1C(=O)NNC(=O)c1cccc(C(F)(F)F)c1 1865759658 LGPJGNBJJPYMNS-UHFFFAOYSA-N 468.262 5.457 50 10 JKGE N#C/C(=C\c1cccc(Br)c1)C(=O)Nc1nc(-c2ccc(Br)cc2)cs1 1866131634 FVNFWBWEZJGKGZ-RIYZIHGNSA-N 489.192 5.881 50 10 JKGE CCc1ccc(/C(C)=C/C(=O)N[C@H](Cc2ccccc2)C(=O)Nc2ccc(SC#N)cc2)cc1 1866686073 XTHXXCOHADDQKA-CIEQNIFPSA-N 469.610 5.592 50 10 JKGE COc1ccc2c(c1)C[C@@H](C)CN2c1cc(Nc2ccc(SC#N)cc2)nc(-c2ccccc2C)n1 1868300506 DQZJHYQLNDGDOU-LJQANCHMSA-N 493.636 7.108 50 10 JKGE C[C@H]1CN(c2cc(Nc3ccc(SC#N)cc3)nc(C(C)(C)C)n2)C[C@@H](C)N1c1ccccc1 1868342165 MONBYZHWYJYDHL-BGYRXZFFSA-N 472.662 6.194 50 10 JKGE COCCCN1[C@H](C)CN(c2cc(Nc3ccc(SC#N)cc3)nc(-c3ccccc3)n2)C[C@H]1C 1868364704 DOWZWMSGYRDARC-NHCUHLMSSA-N 488.661 5.396 50 10 JKGE CC(C)OC(=O)c1ccc(/C(C#N)=C/c2cc(Br)c(O)c(Br)c2)o1 1872728601 KWSBOAMTENCWGJ-VZUCSPMQSA-N 455.102 5.140 50 10 JKGE N#C/C(=C(/O)CNC(=O)c1ccc(Cl)cc1Cl)c1nc(-c2ccc(Cl)cc2)cs1 1872748177 LUMNZYQAMURXKM-SDXDJHTJSA-N 464.761 5.993 50 10 JKGE CCOc1ccccc1OC/C(O)=C(\C#N)c1nc(-c2cc(C(C)(C)C)ccc2OC)cs1 1872751860 XKZNKEFTTPOXBH-VZCXRCSSSA-N 464.587 6.387 50 10 JKGE CCCCCCCOc1ccc(-c2csc(/C(C#N)=C(\O)c3cccc(OC(C)=O)c3)n2)cc1 1872753248 NVOTWXPARQGZPH-LCUIJRPUSA-N 476.598 7.034 50 10 JKGE Cc1ccc(C(C)(C)C)cc1-c1csc(/C(C#N)=C(\O)CCc2nc3ccccc3[nH]c2=O)n1 1872756340 XVCIWRJTVFWVFY-CLCOLTQESA-N 470.598 6.078 50 10 JKGE CCCCCCOc1ccc(/C(O)=C(\C#N)c2nc(-c3cc(Cl)ccc3Cl)cs2)cc1 1872757919 CGTUJTLUJRTRMR-ATJXCDBQSA-N 473.425 8.026 50 10 JKGE CCOc1c(/C=C(\C#N)c2nc(-c3cc(Cl)c(OC)cc3OC)cs2)cccc1OC 1872793634 KUVYHLFSYYDVDK-OQLLNIDSSA-N 456.951 5.952 50 10 JKGE CCN(Cc1ccccc1)c1ccc(/C=C(\C#N)c2nc(-c3cc(Cl)ccc3Cl)cs2)cc1 1872794873 AXUJEONELOCFLO-KGENOOAVSA-N 490.459 8.208 50 10 JKGE CC(C)[C@H](Br)CCCc1ccc(I)c(Br)c1 1904329473 KTAAHUKVDQWGGN-LLVKDONJSA-N 459.991 5.796 50 10 JKGE COc1cc(F)c(Br)cc1[C@@H](Br)c1c(C)nsc1Br 1912976462 UGFYKVCAEIHIKN-LLVKDONJSA-N 473.987 5.609 50 10 JKGE C[C@H](Br)CN(Cc1ccccc1)C(=O)c1cc(Cl)ccc1I 1914612710 KXCUHFDNYCBGRS-LBPRGKRZSA-N 492.582 5.370 50 10 JKGE O=S(=O)(c1cc(Cl)cc(Cl)c1)N(Cc1ccccc1)C1(CBr)CCC1 1915750702 KFKDUMHITILRHG-UHFFFAOYSA-N 463.224 5.502 50 10 JKGE Brc1cc(Br)c([C@H](Br)c2cscc2Br)s1 1922897856 QFMVYEUYGSLPIT-MRVPVSSYSA-N 495.881 6.581 50 10 JKGE Clc1c(Br)sc(Br)c1[C@@H](Br)[C@@H]1CCCOC1 1923067644 GSVPUBWRHGZRSI-VDTYLAMSSA-N 453.421 5.789 50 10 JKGE CC(C)(C1CCCC1)[C@@H](Br)c1c(Br)sc(Br)c1Cl 1923067961 KYFWUVSJJWFOTP-JTQLQIEISA-N 479.503 7.579 50 10 JKGE CCc1cscc1[C@H](Cl)c1c(Br)sc(Br)c1Br 1924568732 KSVDYBGANPKFDS-VIFPVBQESA-N 479.484 6.988 50 10 JKGE Brc1sc(Br)c([C@H](Br)C2CC3(CC3)C2)c1Br 1924569639 YEAHSYIZPWCMPK-SSDOTTSWSA-N 493.884 6.662 50 10 JKGE CC1(C)[C@@H]2CC([C@@H](Cl)c3c(Br)sc(Br)c3Br)C[C@H]21 1924572299 XZCQTHDDJZFMLI-BRDIYROLSA-N 477.487 6.998 50 10 JKGE Cl[C@H](C[C@@H]1CC[C@@H]2C[C@@H]12)c1c(Br)sc(Br)c1Br 1924613127 GLHYIPXXFRQENF-ULAWRXDQSA-N 463.460 6.752 50 10 JKGE CCN(C[C@](C)(CI)O[C@@H]1CC[C@H]2CC[C@H]1C2)C(=O)OC(C)(C)C 1947121909 BZYOLKSGHLLMDH-OLMMMNRUSA-N 451.389 5.032 50 10 JKGE Cc1c(Cl)cc(CN(Cc2ccccc2)[C@@H](C)CCBr)cc1Br 1979763758 KSPILSVKXYCGSE-AWEZNQCLSA-N 459.653 6.587 50 10 JKGE COc1sc([C@@H](Br)c2cccc(F)c2Br)cc1Br 2034628097 BQUSBCZTWFYFCT-NSHDSACASA-N 458.972 5.905 50 10 JKGE FC1(F)CC[C@@H]2[C@H]([C@H](Cl)c3c(Br)sc(Br)c3Br)[C@@H]21 2051242067 VZEFOQJDFFBAFL-VNSQGQJGSA-N 485.413 6.607 50 10 JKGE Brc1cc([C@@H](Br)[C@@H]2CCCCC23CCC3)c(Br)s1 2053370807 KKBOSYSKAVYXQD-CMPLNLGQSA-N 457.069 7.070 50 10 JKGE Clc1c(Br)sc(Br)c1[C@@H](Br)C12CCC(CC1)OC2 2072707324 AVEISEROPUXBCM-ATZMEGNHSA-N 479.459 6.322 50 10 JKGE C[C@@]12CN(Cc3ccccc3)C[C@H]1CN(c1c(CBr)ccc(Br)c1Cl)C2 2098116486 IYTMADJIPIPEDU-UWJYYQICSA-N 498.690 5.956 50 10 JKGE C[C@@H]1CN(Cc2ccccc2)C[C@H]1n1c(CCl)nc2cc(Br)c(Cl)cc21 2103624676 QQFDBENGYHQORX-BFUOFWGJSA-N 453.211 5.884 50 10 JKGE FC1(F)[C@H]2C[C@@](CBr)(Cc3ccc(Br)cc3Br)C[C@H]21 2107646127 YOVNZPCUMALTTE-PTEHBNRSSA-N 458.966 5.811 50 10 JKGE Clc1ccc(C[C@H](CBr)c2ccc(Br)cc2)cc1Br 2110527286 YMWSYMAFYVBGSR-GFCCVEGCSA-N 467.426 6.586 50 10 JKGE COc1cc([C@@H](Br)c2cc(Br)cs2)c(OC)cc1Br 2115925216 OVCQZVWLIIWLBI-CYBMUJFWSA-N 471.008 5.775 50 10 JKGE CC(C)[C@H](Cl)c1cn(-c2cc(Br)c(Br)c(Br)c2)nn1 2121064892 VQMXUOMXRZHUBL-LBPRGKRZSA-N 472.406 5.491 50 10 JKGE Fc1cscc1CC(CBr)(CBr)c1ccccc1Br 2125520473 LMYKLJBAODSWRO-UHFFFAOYSA-N 471.027 5.920 50 10 JKGE CC1(C)C[C@@](C)(CBr)CN1C(=O)c1csc(Br)c1Br 2134824308 WEZSJVGRBAXTOU-ZDUSSCGKSA-N 474.056 5.299 50 10 JKGE COCCC1([C@H](Br)c2c(C)c(Br)cc(C)c2Br)CC1 2136368751 APQZJTAWNMUSGV-CQSZACIVSA-N 455.028 6.081 50 10 JKGE Cc1cc(Br)c(C)c([C@@H](Br)[C@H]2[C@H]3CCCC[C@H]32)c1Br 2136376503 GQWSAWSUGARCKM-YHYOWMERSA-N 451.040 6.701 50 10 JKGE Cc1cc(Br)c(C)c([C@@H](Br)C(C2CC2)C2CC2)c1Br 2136379653 MSMGNTHDJGGHKA-MRXNPFEDSA-N 451.040 6.701 50 10 JKGE Cc1c(Br)ccc([C@H](Br)[C@@H]2C(F)(F)C23CCC3)c1Br 2138863527 MGQLOHMUQFFPEB-RYUDHWBXSA-N 458.966 6.391 50 10 JKGE Brc1ccc([C@H](Br)c2ccc3sncc3c2)c(Br)c1 2138869878 DMILKFIRQBOKTG-CQSZACIVSA-N 462.004 6.306 50 10 JKGE FC(F)(F)c1ccc([C@H](Br)c2cc(Br)c(Cl)s2)cc1Cl 2146763761 QQGDIBGSVRSFBQ-JTQLQIEISA-N 468.947 7.321 50 10 JKGE COc1c(C)cc(Br)c(C)c1[C@@H](Br)c1cc(Br)sc1C 2152047214 FCKPQBMDKXAOOE-AWEZNQCLSA-N 483.063 6.691 50 10 JKGE COc1cc(Br)c([C@@H](Br)c2cc(Br)sc2C)cc1OC 2152048707 YPQCHHJKKGMHEW-AWEZNQCLSA-N 485.035 6.083 50 10 JKGE FC(F)(F)C1([C@H](Br)c2c(Cl)sc(Br)c2Cl)CCCCC1 2173215458 VRFBKJLIIRLIIG-MRVPVSSYSA-N 474.995 7.766 50 10 JKGE CN(Cc1cc(Br)ccc1Br)C[C@H](Br)C1CCCCC1 2175140292 SWWUFQMZDKFBQV-INIZCTEOSA-N 468.071 5.987 50 10 JKGE C[C@H](c1cc(C(F)(F)F)cc(C(F)(F)F)c1)[C@H](CBr)NC(=O)OC(C)(C)C 2178173202 ONZKZDMOQDKODV-RNCFNFMXSA-N 464.244 6.116 50 10 JKGE O=C(NCC1(F)CCC(CBr)CC1)c1cc(Br)sc1Br 2178580679 GCHCGKKWYPMQIB-UHFFFAOYSA-N 492.046 5.296 50 10 JKGE CO[C@]1(C(F)(F)F)C[C@H]([C@H](Br)c2c(Cl)sc(Br)c2Cl)C1 2182020792 DOKBXMFTQQLMAZ-DMXGEVFUSA-N 476.967 6.611 50 10 JKGE CCCCCc1ccc([C@@H](Br)c2cc(Br)ccc2Br)s1 2197256891 FYPGCRZSHCXBMR-INIZCTEOSA-N 481.091 7.490 50 10 JKGE COC1CC2(C1)CC([C@@H](Br)c1ccc(Br)c(C)c1Br)C2 2203683115 KCAISLDBYDRWLR-RGMKSQPISA-N 467.039 6.161 50 10 JKGE CC(C)(C)c1ccc([C@@H](Cl)c2ccc(Br)cc2I)cc1 2207273776 XJAVQGKVBBHBGS-MRXNPFEDSA-N 463.584 6.679 50 10 JKGE CCc1sc(Br)cc1[C@H](Cl)c1ccc(C)c(I)c1 2217866181 KNUPXHVGLZLNQJ-CQSZACIVSA-N 455.586 6.314 50 10 JKGE C[C@@H]1C[C@H]([C@H](Br)c2c(Br)cc(Cl)c(Cl)c2Cl)[C@@H](C)O1 2224316748 HKMUTFNPIKGUGC-MNRJBDMISA-N 451.413 6.659 50 10 JKGE Brc1csc([C@@H](Br)c2ccc([C@@H]3CCOC3)s2)c1Br 2231750864 UIPPWSDLBLCARI-KRTXAFLBSA-N 487.076 6.323 50 10 JKGE FC1(F)CCOC[C@@H]1[C@@H](Br)c1c(Br)cc(Cl)c(Cl)c1Cl 2232510668 HRYDSPITGPCXML-MLUIRONXSA-N 473.366 6.517 50 10 JKGE C[C@@H]1CCC[C@H]([C@H](Br)c2c(Br)cc(Cl)c(Cl)c2Cl)CC1 2232529664 YIQPHIBQVBEOMB-ZDMBXUJBSA-N 463.468 8.062 50 10 JKGE CCOc1ccccc1[C@@H](Br)c1cc(Br)c(Br)cc1F 2233977005 RYCHVMVLXUCAPO-OAHLLOKOSA-N 466.970 6.234 50 10 JKGE Cc1cc(Br)c([C@H](Br)[C@]2(C)CCCC2(F)F)c(C)c1Br 2235602086 CHJYNYYOAFBLIX-KBPBESRZSA-N 475.009 7.090 50 10 JKGE Cc1cc(Br)c([C@@H](Br)c2cccc(Cl)c2F)c(C)c1Br 2235603878 LCSRJOFQYKWTBW-AWEZNQCLSA-N 485.416 7.105 50 10 JKGE Fc1cc(F)c([C@H](Cl)c2cccc(Br)c2Br)c(F)c1Br 2236103803 USHWQEIUKGTNPQ-GFCCVEGCSA-N 493.342 6.720 50 10 JKGE Fc1cc(Cl)c([C@H](Cl)c2cc(Br)sc2Br)cc1Br 2258113750 OCMSERWAXKXDPK-JTQLQIEISA-N 497.836 7.156 50 10 JKGE Cc1sc([C@H](Br)c2cc(F)c(Br)cc2Cl)c(Br)c1C 2267748288 GESOEGCIPATHTJ-GFCCVEGCSA-N 491.445 7.167 50 10 JKGE CC(C)(C)OC(=O)NC[C@H]1CC[S@](=O)(=NCCCCCCCBr)C1(C)C 2277447569 ISGFDTCHZQFBOO-AKJBCIBTSA-N 453.487 5.123 50 10 JKGE FC1([C@@H](Br)Cc2cc(Br)cc(Br)c2)CC2(CCC2)C1 2277956959 RSRQIKFNGFRKBX-ZDUSSCGKSA-N 455.003 6.190 50 10 JKGE Cc1cc(Br)c([C@@H](Br)c2c(F)cccc2Br)c(C)c1F 2279147048 QQEMUOLCBGVUEB-CQSZACIVSA-N 468.961 6.591 50 10 JKGE Cc1ccc([C@H](Cl)c2c(Br)cc(C)c(F)c2C)cc1I 2279158683 NKLAHEZQZVNFKC-HNNXBMFYSA-N 467.547 6.446 50 10 JKGE Clc1cc(Br)c([C@@H](Br)C[C@@H]2CCCC23CC3)c(Cl)c1Cl 2281372507 RFBNMLCJLDTOPZ-IUCAKERBSA-N 461.452 7.816 50 10 JKGE Fc1cccc(I)c1[C@@H](Br)Cc1nc2ccccc2s1 2282889004 RHPOUNAWIWDHRK-VIFPVBQESA-N 462.125 5.719 50 10 JKGE COc1ccc([C@H](Br)c2cscc2C(F)(F)F)cc1I 2285014214 XQLREGLKIPGOMA-LBPRGKRZSA-N 477.083 5.864 50 10 JKGE COc1cc(C=C(C#N)C(=O)Nc2ccc(C)c(C)c2)ccc1OCc1ccc(C(=O)O)cc1 2294172045 WYDZBCPFGZNMPI-UHFFFAOYSA-N 456.498 5.135 50 10 JKGE Brc1cc(Br)cc(C[C@H](Br)c2cc3ccccc3o2)c1 2295337768 ODXWYWCJOBSVNS-AWEZNQCLSA-N 458.975 6.637 50 10 JKGE COc1cccc(C=C(C#N)C(=O)Nc2ccc3c(c2)OCCO3)c1OCC=Cc1ccccc1 2295669994 WDZNVHYHUQRVBG-UHFFFAOYSA-N 468.509 5.104 50 10 JKGE N#CC(=Cc1ccc(N2CCC(Cc3ccccc3)CC2)c([N+](=O)[O-])c1)c1nc2ccccc2[nH]1 2297326852 YGKSCOZNDWVDCK-UHFFFAOYSA-N 463.541 5.994 50 10 JKGE COCC1(C[C@H](Br)c2cc(Br)ccc2OCc2ccccc2)CC1 2299527981 NSWPQHIXYPOFQJ-SFHVURJKSA-N 454.202 6.281 50 10 JKGE FC(F)[C@@H]1CCC[C@@H]1[C@H](Br)c1sc(Cl)cc1I 2301084209 QFTKUGUWRMHSON-MYINAIGISA-N 455.533 6.124 50 10 JKGE COC(=O)c1cccc(Cn2cc(C=C(C#N)C(=O)Nc3cccc(Cl)c3)c3ccccc32)c1 2313631851 XCOBYPHEMFHUMJ-UHFFFAOYSA-N 469.928 5.675 50 10 JKGE CCOc1cc(C=C(C#N)C(=O)Nc2cccc(C(F)(F)F)c2)cc(Br)c1OCC 2313676846 PHJOWJPFOQILQT-UHFFFAOYSA-N 483.284 5.811 50 10 JKGE Cc1cccc(Oc2nc3c(C)cccn3c(=O)c2C=C(C#N)C(=O)Nc2ccc(F)cc2)c1C 2314533977 VRKAIUHKPGFPJM-UHFFFAOYSA-N 468.488 5.097 50 10 JKGE CCc1ccc(C[C@H]2SC(=C(C#N)C(=O)NCc3ccccc3)N(c3ccc(OC)cc3)C2=O)cc1 2314593393 MHYGUEMQTHTFOH-AREMUKBSSA-N 497.620 5.000 50 10 JKGE COc1c(Br)cc(C)c([C@H](Br)CC(C)(F)F)c1Br 2317399543 JKWXGCYKSCFIRK-MRVPVSSYSA-N 450.943 6.010 50 10 JKGE Cc1cc(Br)c(F)c(Br)c1[C@@H](Cl)c1ccc(Br)o1 2317423862 RBAAXZYAXMYWJP-NSHDSACASA-N 461.350 6.343 50 10 JKGE COc1cccc(-c2ccc(C(=O)NN=Cc3cccc(OCc4ccccc4)c3)c(C)n2)c1 2321239445 GVNUFABZBYHMIR-UHFFFAOYSA-N 451.526 5.409 50 10 JKGE BrCc1cc(Br)cc(Br)c1OC[C@@H]1C[C@@H]2CC[C@H]1O2 2329973069 WHQQMMLLZFPEHJ-XHVZSJERSA-N 454.984 5.053 50 10 JKGE COc1cccc(C=C(C#N)c2ncccc2[N+](=O)[O-])c1OCc1ccc(Cl)c(Cl)c1 2331059550 OWCGYALFZKCCEF-UHFFFAOYSA-N 456.285 5.948 50 10 JKGE CCc1ccc(-c2csc(C(C#N)=C(O)CCCN3C(=O)c4ccc([N+](=O)[O-])cc4C3=O)n2)cc1 2331246211 NVEATZYRMRMQCC-UHFFFAOYSA-N 488.525 5.150 50 10 JKGE N#CC(=C(O)c1cccc(Br)c1)c1nc(-c2ccc(Cl)cc2Cl)cs1 2331250631 MNMCXJVFPAFFDB-UHFFFAOYSA-N 452.160 6.829 50 10 JKGE CC(C)(C)c1ccc(-c2csc(C(C#N)=C(O)c3ccc(N4CCOCC4)c([N+](=O)[O-])c3)n2)cc1 2331332774 LDAJNRFASALGEK-UHFFFAOYSA-N 490.585 5.802 50 10 JKGE Cc1ccc(S(=O)(=O)NCC(O)=C(C#N)c2nc(-c3cccc4ccccc34)cs2)cc1 2331340112 SJUUFAZTFFICER-UHFFFAOYSA-N 461.568 5.043 50 10 JKGE Cc1cc(C)c(C)c(-c2csc(C(C#N)=C(O)[C@@H](CC(C)C)N3C(=O)c4ccccc4C3=O)n2)c1C 2331364419 CALWXXBOFFAYOH-XMMPIXPASA-N 499.636 6.547 50 10 JKGE COc1cc(-c2csc(C(C#N)=C(O)c3ccc(-n4cccc4)cc3)n2)c(OC)cc1Cl 2331377302 HZRWAMOOPYPWED-UHFFFAOYSA-N 463.946 6.221 50 10 JKGE COc1cc(Cl)c(C)cc1-c1csc(C(C#N)=C(O)c2ccc(Cl)c(Cl)c2)n1 2331389221 GJMSBLUTLNTUGT-UHFFFAOYSA-N 451.762 7.037 50 10 JKGE COc1cc(Cl)c(C)cc1-c1csc(C(C#N)=C(O)[C@H]2CC(=O)N(Cc3ccccc3)C2)n1 2331390437 LTIPILZYUSHWIV-KRWDZBQOSA-N 479.989 5.622 50 10 JKGE CCCCOc1ccc(C=C(C#N)c2nc(-c3cc(Cl)ccc3Cl)cs2)cc1OCC 2331488690 PFNPNXLEUYRARV-UHFFFAOYSA-N 473.425 7.759 50 10 JKGE Clc1cc(Cl)cc(CC[C@H](Cl)c2sc(Cl)cc2I)c1 2341115989 FEKAGDZSZXUEJN-JTQLQIEISA-N 465.998 7.226 50 10 JKGE CCOCc1cc(Br)c([C@@H](Br)c2csc(C)c2Br)s1 2343565217 UZRUGYKBEFBMEX-LBPRGKRZSA-N 489.092 6.664 50 10 JKGE Cc1cc(Br)c(C(C)C)cc1[C@H](Br)c1csnc1Br 2352800703 YPBAUNQXBKFMTB-ZDUSSCGKSA-N 468.052 6.584 50 10 JKGE C[C@]1([C@@H](Br)c2c(F)cc(Cl)c(Br)c2Cl)C[C@@H]1C(F)(F)F 2360418267 PINOYQGJGIUIFW-CYUDJLOBSA-N 458.902 6.920 50 10 JKGE CCCc1sc(Br)cc1[C@H](Cl)Cc1ccc(Br)cc1Cl 2363253229 CIQIDGBIKZUEMP-CYBMUJFWSA-N 457.058 7.402 50 10 JKGE Cc1cc(Br)c(F)c(Br)c1[C@H](Br)c1cccc(F)c1F 2365215569 LMQIRBCGLZJOKT-LLVKDONJSA-N 472.924 6.422 50 10 JKGE COCC1([C@@H](Br)c2c(C)cc(Br)c(OC)c2Br)CCC1 2365215938 PAEIJDWHOVEARL-AWEZNQCLSA-N 471.027 5.781 50 10 JKGE COc1c(Br)cc(C)c([C@H](Br)c2nn(C)cc2Cl)c1Br 2365237595 UETBZYAOUYVZBJ-JTQLQIEISA-N 487.417 5.400 50 10 JKGE CN(CC[C@@H](Br)c1cccs1)Cc1ccc(Cl)c(I)c1 2366187624 IJHLUOJFMOOKLA-GFCCVEGCSA-N 484.628 5.964 50 10 JKGE C[C@@H](Cl)CC1C[C@@H]2CC[C@H](C1)N2c1ncc(I)cc1Br 2366973552 SDMNBTKGQDSSNU-KVAMGIGCSA-N 469.592 5.214 50 10 JKGE CC1CCC([C@@H](CBr)NCc2c(Br)cccc2Br)CC1 2379754772 HXKZQYFKIKIXOH-ZEPSKSRBSA-N 468.071 5.891 50 10 JKGE Fc1cc(Cl)c(Br)c(Cl)c1[C@H](Br)[C@H]1C[C@@H](C(F)(F)F)C1 2380889781 NWJDOZYWNYALEW-IKMPGZOFSA-N 458.902 6.920 50 10 JKGE COc1cc(/C=N/NC(=O)c2cccc(O)c2)cc(Br)c1OCc1ccccc1Cl 2946044 FGGFWVDRIJKSNM-BRJLIKDPSA-N 489.753 5.160 50 10 JKGE O=C(NC1CCCCC1)[C@H](c1ccc(Cl)cc1)N(C(=O)CCl)c1ccccc1Cl 3035290 DGAQSVMWNHYBKW-NRFANRHFSA-N 453.797 5.755 50 10 JKGE O=C([C@@H](Cl)c1ccccc1)N(CC(=O)N1CCc2sccc2[C@@H]1c1ccc(Cl)cc1)C1CC1 16487348 FULVDQFBOZFQKA-DQEYMECFSA-N 499.463 5.847 50 10 JKGE Cc1cc([C@H]2C(C#N)=C(N)N(c3ccc(Cl)c([N+](=O)[O-])c3)C3=C2C(=O)CC(C)(C)C3)c(C)s1 27550463 HOQUGEROEXTDBC-NRFANRHFSA-N 482.993 5.867 50 10 JKGE N#C/C(C(=O)Nc1ccc(Cl)c(Cl)c1)=C1\S[C@H](Cc2ccccc2)C(=O)N1c1ccccc1 33558149 IKPPZFFCVXKFPV-UDXHRHDRSA-N 494.403 6.058 50 10 JKGE COc1ccc(/C(C#N)=C\c2ccc(-n3nc(-c4ccccc4)cc3-c3ccccc3)cc2)cc1OC 33568606 ZAFUFNWOOGJULT-DIBXZPPDSA-N 483.571 7.288 50 10 JKGE Cc1cccc(Cc2c(C)nc(-c3ccccc3)nc2N2CCN(C(=O)C(C)(C)CCl)CC2)c1 35887826 SQJFWRQKLYIDGF-UHFFFAOYSA-N 477.052 5.265 50 10 JKGE C=CCN1C(=O)C(C#N)=C(C)/C(=C\c2cn(-c3ccccc3)nc2-c2ccc(OCC)cc2C)C1=O 38607613 GDJGUFJWOKJZLV-PCLIKHOPSA-N 478.552 5.025 50 10 JKGE CC(C)Oc1ccc(C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@H]3c2ccc(C(C)C)cc2)cc1 38649519 SMTPYOLPXNMWQD-MHZLTWQESA-N 468.553 6.035 50 10 JKGE C=CCOc1ccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4cccc(Cl)c4)ccc32)cc1 38658232 IDPBSKIGDLDOLA-DEOSSOPVSA-N 458.901 5.342 50 10 JKGE CCCCOc1cccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4ccccc4C)ccc32)c1 38685038 CYUPBJAGUMFYGM-AREMUKBSSA-N 454.526 5.611 50 10 JKGE CCCCOc1cccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)COc4cc(C)cc(C)c4)ccc32)c1 38685194 YEYJPUULNHQNQF-GDLZYMKVSA-N 498.579 5.685 50 10 JKGE Nc1c(NNC(=O)C(c2ccccc2)c2ccccc2)ncnc1Oc1ccc2ccccc2c1 40687864 MKPWPILHMHKKNE-UHFFFAOYSA-N 461.525 5.280 50 10 JKGE O=C(COc1ccccc1Br)N/N=C/c1ccc(OCc2ccccc2Cl)cc1 40910648 CCNLXIXSEWNWKV-DHRITJCHSA-N 473.754 5.211 50 10 JKGE CCCCCCOc1ccc(/C=N/NC(=O)COc2cc(Cl)ccc2Cl)cc1OC 40911036 QHMVCYHSSPOFSP-AFUMVMLFSA-N 453.366 5.490 50 10 JKGE N#CC1=C(N)OC2=C(C(=O)C[C@H](c3ccc(Cl)cc3)C2)[C@H]1c1cccc(Br)c1 58929642 PXQIMCPSIATVKY-XOBRGWDASA-N 455.739 5.311 50 10 JKGE N#C/C(=C\c1ccc(OC(=O)c2ccc(Cl)cc2)cc1)C(=O)Nc1cc(Cl)ccc1Cl 59117399 RFPOOTJHRXOVRV-LFIBNONCSA-N 471.727 6.412 50 10 JKGE O=C(N/N=C1/C(=O)N(Cc2c(Cl)cccc2Cl)c2ccccc21)c1cc2ccccc2cc1O 59166051 JZHNJPGDUWEXRC-RMLRFSFXSA-N 490.346 5.533 50 10 JKGE Cc1ccc(-c2ccccc2)n1-c1ccc(C(=O)N/N=C/c2cc(C)n(C3CCCCC3)c2C)cc1 59303649 TZWTWNDRWUQBOG-RUMWWMSVSA-N 478.640 7.140 50 10 JKGE CCCCC1CCC(C(=O)N2c3ccc(C(=O)[C@@H](Br)C(C)C)cc3C[C@H]2C)CC1 71432716 VKDUWLJNIJTVRO-RTCZYFITSA-N 462.472 6.563 50 10 JKGE O=C(NC1CCCCCC1)[C@H](c1ccccc1F)N(CCc1ccc(Cl)cc1)C(=O)CCl 97914847 OIYIWBKWEMKVKL-DEOSSOPVSA-N 479.423 5.669 50 10 JKGE N#C/C(=C/Nc1cccc(C(F)(F)F)c1)c1nc(-c2ccc(Br)cc2)cs1 100408159 QSBKCYWVSDSBAZ-RAXLEYEMSA-N 450.283 6.568 50 10 JKGE Fc1ccc([C@@H](Cl)c2cc(Br)sc2Br)cc1C(F)(F)F 109825074 GDWFLWKHEDZNFJ-SNVBAGLBSA-N 452.492 6.759 50 10 JKGE COc1cc(Br)c([C@@H](Br)c2cc(Br)ccc2F)cc1OC 109860421 OUXYDSDSELDHKO-OAHLLOKOSA-N 482.969 5.852 50 10 JKGE CCOc1ccc(Br)cc1[C@@H](Br)c1ccc(F)cc1Br 109871901 DXYGOYWWZWMNMD-HNNXBMFYSA-N 466.970 6.234 50 10 JKGE CC[C@]1(P(c2ccccc2)c2ccccc2)CCCC[C@H]1P(c1ccccc1)c1ccccc1 144584415 NTBORSGWCCAHMY-ZWXJPIIXSA-N 480.572 7.344 50 10 JKGE CCCCCOc1ccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)/C=C\c4ccccc4)ccc32)cc1 205660628 LEVPIQJLQTYEDI-GHVRZZSOSA-N 480.564 6.093 50 10 JKGE CCCOc1ccc([C@H](Br)Cc2cccc(Br)c2)cc1Br 229004677 SUEUWNUETFUWOQ-OAHLLOKOSA-N 477.034 6.679 50 10 JKGE CCCCc1ccc([C@@H](Cl)c2cc(I)ccc2Br)cc1 233044092 PQMVQCYSQNKJJN-QGZVFWFLSA-N 463.584 6.725 50 10 JKGE COc1cc(F)c(Br)cc1[C@@H](Cl)c1csc(I)c1 234881588 CVBDCXSEVQRLKI-LBPRGKRZSA-N 461.521 5.591 50 10 JKGE O=C(CSc1nnc(SCc2ccc(Cl)cc2)s1)NN=Cc1c[nH]c2ccccc12 254290075 HZNIIVLXLZHRBE-UHFFFAOYSA-N 474.036 5.208 50 10 JKGE aggregator COc1ccccc1/C=C/C=NNC(=O)CSc1nnc(-c2ccc(C)cc2)n1-c1ccc(C)cc1 254440117 DFYUUJWCTFJPMK-XHFWYXIUSA-N 497.624 5.467 50 10 JKGE Cc1ccc(COc2ccc(C(=O)NN=Cc3ccc(OC(=O)c4cccc(C)c4)cc3)cc2)cc1 254440172 FYYYZEDETCIIHI-UHFFFAOYSA-N 478.548 5.866 50 10 JKGE CCc1ccc(OCC(=O)NN=Cc2c(OC(=O)c3cccc(C)c3)ccc3ccccc23)cc1 254484389 NBJRDNFLMGDRQK-UHFFFAOYSA-N 466.537 5.459 50 10 JKGE O=C(NN=Cc1ccc(OCc2ccccc2)cc1)c1ccc(CSCc2ccccc2)cc1 254509993 RZASLBAHNLPKRK-UHFFFAOYSA-N 466.606 6.463 50 10 JKGE CCOc1cc(C=NNC(=O)CNc2ccccc2)ccc1OCc1c(F)cccc1Cl 254523085 VBJXQNWIEGDODR-UHFFFAOYSA-N 455.917 5.019 50 10 JKGE Cc1cccc(C)c1OCC(=O)NN=Cc1ccc(OC(=O)c2cccc3ccccc23)cc1 254527179 UKTRQDVBJIIRGC-UHFFFAOYSA-N 452.510 5.205 50 10 JKGE CCCCCCCCCCCCCCCCNC(=O)[C@@]12CC[C@@](C)(C(=O)[C@H]1Br)C2(C)C 256018990 DZCAXIWONYWYEU-VYCLJVNGSA-N 498.590 7.743 50 10 JKGE CCCCCCCCO[C@@](C)(CI)CN(CC)C(=O)OC(C)(C)C 303741860 RBXORUNJEAVXJW-IBGZPJMESA-N 455.421 5.814 50 10 JKGE COc1cc([C@@H](Br)c2cscc2Br)c(OC)cc1Br 404768175 OAHOCXLOKCGTSQ-CYBMUJFWSA-N 471.008 5.775 50 10 JKGE Clc1cc([C@@H](Br)c2cc(Br)cc3c2OCCC3)c(Cl)s1 688380361 VQBZKZQVHMVLFV-LBPRGKRZSA-N 457.014 6.627 50 10 JKGE Fc1ccc([C@H](Br)c2ccc(Cl)c(Br)c2)c(F)c1Br 691634634 JOBSJQWGCMGECJ-LLVKDONJSA-N 475.352 6.628 50 10 JKGE C[C@@H](COc1c(Br)cc(CBr)cc1Br)c1ccccn1 692936770 KOPGETBITWOZJA-JTQLQIEISA-N 463.995 5.684 50 10 JKGE COc1cccc(C[C@@H](Br)c2ccc(I)c(Br)c2)c1 721570629 ALDLCLLDKIBFLZ-CYBMUJFWSA-N 495.980 5.741 50 10 JKGE CN(C)C(=O)/C(C#N)=C/c1cc(Br)ccc1OCc1ccc(Cl)c(Cl)c1 1083958117 AMDAPGGXINVALH-RIYZIHGNSA-N 454.151 5.330 50 10 JKGE CCn1c2ccccc2c2cc(C=NNC(=O)c3ccc(NC(=O)c4ccccc4C)cc3)ccc21 1084169070 HJOQJITUHMIGRC-UHFFFAOYSA-N 474.564 6.139 50 10 JKGE Cc1cc(C=NNC(=O)c2ccccc2Br)c(C)n1-c1ccc(C(=O)OC(C)C)cc1 1084258131 DLYOCYGGBHPUSR-UHFFFAOYSA-N 482.378 5.186 50 10 JKGE CCOc1cc(C=NNC(=O)c2cccc(F)c2)ccc1Oc1ccc(C(F)(F)F)cc1[N+](=O)[O-] 1084435456 BSPGMHHLTINFLB-UHFFFAOYSA-N 491.397 5.708 50 10 JKGE O=C(CC[C@@H](O)c1ccccc1)NN=Cc1cc(Cl)c(OCc2ccccc2)c(Cl)c1 1084464341 GQFSDCKCASMXML-JOCHJYFZSA-N 457.357 5.536 50 10 JKGE CCOc1cc(/C=C(\C#N)C(=O)Nc2cccc(C)c2)ccc1OCc1ccc(Cl)c(Cl)c1 1084525895 XTXYHXZTTPYMLQ-UDWIEESQSA-N 481.379 6.825 50 10 JKGE Cc1ccc(C)c(NC(=O)/C(C#N)=C\c2ccc(OCc3ccc(Cl)c(Cl)c3)cc2)c1 1084641309 PVLNNFBSOCOXMY-NDENLUEZSA-N 451.353 6.735 50 10 JKGE Cc1ccc(-c2cc(C(=O)NN=Cc3ccc(N(C)C)cc3)c3cc(Br)ccc3n2)cc1 1088727244 WUXXWYQRHUEOMO-UHFFFAOYSA-N 487.401 5.803 50 10 JKGE COc1ccc(Cl)cc1NC(=O)c1oc2c(c1C)C(=NNC(=O)c1ccc(C)cc1)CCC2 1772745377 ZLPXMHIEXNQBTQ-UHFFFAOYSA-N 465.937 5.281 50 10 JKGE CC(C)Oc1cccc(/C=C/C(=O)N/N=C2\C(=O)N(Cc3ccccc3Cl)c3ccccc32)c1 1860822766 MHSSXPBQUZBRHZ-QJIZTBHESA-N 473.960 5.208 50 10 JKGE Cc1ccc(Cn2nc(C(F)(F)F)c3c2OC(N)=C(C#N)[C@H]3c2cccc(Br)c2)cc1 1865684397 PSINWNLXMGHQEF-QGZVFWFLSA-N 489.295 5.239 50 10 JKGE CCCc1nn(CCC)c2c1[C@@H](c1ccc(OCc3ccccc3)c(OC)c1)C(C#N)=C(N)O2 1865686880 DIEVDLINQIYKIB-DEOSSOPVSA-N 458.562 5.051 50 10 JKGE CCc1nn(-c2cccc3ccccc23)c2c1[C@H](c1c(OC)ccc3ccccc13)C(C#N)=C(N)O2 1865688637 XOSFKDSRODMULG-MHZLTWQESA-N 472.548 5.968 50 10 JKGE CCc1nn(-c2ccc(OC)cc2)c2c1[C@@H](c1ccc(OCc3ccccc3)cc1)C(C#N)=C(N)O2 1865689469 ADGGOPXTEDPGGZ-SANMLTNESA-N 478.552 5.240 50 10 JKGE CCCOc1ccc([C@H]2C(C#N)=C(N)Oc3c2c(-c2ccccc2)nn3-c2ccc(OC)cc2)cc1 1865692878 GLMYJKVMUHCHFD-VWLOTQADSA-N 478.552 5.555 50 10 JKGE N#CC1=C(N)Oc2c(c(-c3ccccc3)nn2-c2ccc(Cl)c(Cl)c2)[C@@H]1c1c[nH]c2ccccc12 1865700283 OUCTYOONUNFRIL-QHCPKHFHSA-N 498.373 6.546 50 10 JKGE CCCc1nn(Cc2ccccc2F)c2c1[C@@H](c1ccc(N(CC)CC)cc1)C(C#N)=C(N)O2 1865702074 MDIPPDKISNCYBU-DEOSSOPVSA-N 459.569 5.087 50 10 JKGE CCc1nn(Cc2cc(C)ccc2C)c2c1[C@@H](c1cc(Br)ccc1F)C(C#N)=C(N)O2 1865702300 SAWFCQANJCKDJO-NRFANRHFSA-N 481.369 5.230 50 10 JKGE CCc1nn(-c2ccccc2)c2c1[C@H](c1ccc(OCc3ccccc3Cl)cc1)C(C#N)=C(N)O2 1865704188 PRJHSZUJTHDVLA-RUZDIDTESA-N 482.971 5.885 50 10 JKGE COc1ccc2c(c1)c(/C=N\NC(=O)c1ccc(-c3ccc(Cl)c(Cl)c3)nc1C)cn2C 1865762530 MIVSJCBXYTUQGR-PPDIBHTLSA-N 467.356 5.628 50 10 JKGE COc1cc(/C=C(\C#N)c2cc3c(cc2[N+](=O)[O-])OCCO3)ccc1OCc1ccc(Cl)cc1 1872728834 WUDHDGCBIXUKHW-VCHYOVAHSA-N 478.888 5.671 50 10 JKGE CC[C@H](C)[C@@H](/C(O)=C(\C#N)c1nc(-c2ccccc2Cl)cs1)N1C(=O)c2ccccc2C1=O 1872746150 UUFSBMOPAAIYGI-QXCYCKLCSA-N 477.973 5.967 50 10 JKGE CCc1cccc(CC)c1N1C[C@H](/C(O)=C(\C#N)c2nc(-c3ccc(F)c(F)c3)cs2)CC1=O 1872751838 WJBBVAARPRBEQB-FCQUGJPQSA-N 479.552 6.059 50 10 JKGE CC(C)c1ccc(-c2csc(/C(C#N)=C(\O)[C@@H]3CC(=O)N([C@H](C)c4ccccc4)C3)n2)cc1 1872752241 STXQPLPMALNOBT-CSEDJOLZSA-N 457.599 6.336 50 10 JKGE CC(C)(C)N1C(=O)c2ccc(/C(O)=C(\C#N)c3nc(-c4ccc(Cl)s4)cs3)cc2C1=O 1872758272 SYLSMXUEVCWKTD-JXAWBTAJSA-N 469.975 5.869 50 10 JKGE CCCCCCCOc1ccc(-c2csc([C@@H](C#N)C(=O)/C(C#N)=C/c3ccccc3)n2)cc1 1872776464 QISCZCBNWKSWCD-QXHVWWCLSA-N 469.610 6.943 50 10 JKGE CCOc1ccc(-c2csc(/C(C#N)=C/c3cc(Br)cc(OC)c3O)n2)cc1 1872790636 VMFHEXWYVASTDR-OVCLIPMQSA-N 457.349 5.750 50 10 JKGE CCCCCCCOc1ccc(-c2csc(/C(C#N)=C/c3ccc(OCC)c(OC)c3)n2)cc1 1872791418 IUJGTONDIIZXDP-HAVVHWLPSA-N 476.642 7.631 50 10 JKGE Cc1ccc(COc2ccc(/C=C(\C#N)c3nc(-c4c(C)c(C)cc(C)c4C)cs3)cc2)cc1 1872792788 QPUZMGHXTKQSKY-CVKSISIWSA-N 464.634 7.995 50 10 JKGE COc1c(C)cc(Cl)cc1-c1csc(/C(C#N)=C/c2ccc(OC(=O)c3ccccc3)cc2)n1 1872794077 JIIAHAMEYXYMBL-DEDYPNTBSA-N 486.980 7.064 50 10 JKGE COc1ccc(/C=N/NC(=O)c2ccc3[nH]c4c(c3c2)CCCC4)cc1OCc1ccccc1Cl 1873498376 HNQQNUOASUIOQZ-OKCVXOCRSA-N 487.987 6.052 50 10 JKGE Cc1cc([C@H](Br)c2cc(Cl)c(Cl)c(Cl)c2Cl)oc1Br 1917604693 SXGRMCKGIJQYEA-MRVPVSSYSA-N 467.799 7.448 50 10 JKGE Cc1c(Br)sc([C@H](Br)C2Cc3ccccc3C2)c1Br 1922889862 YXKWUSJGLNXTBR-CYBMUJFWSA-N 465.048 6.433 50 10 JKGE CC(C)([C@@H]1CCCO1)[C@H](Br)c1c(Br)sc(Br)c1Cl 1923067947 KQNAWPHOGZHROR-IMTBSYHQSA-N 481.475 6.568 50 10 JKGE Fc1cc(Cl)cc([C@@H](Br)c2c(Br)sc(Br)c2Cl)c1 1923074837 SDHKRTDHLNCOQI-MRVPVSSYSA-N 497.836 7.203 50 10 JKGE C[C@H](c1ccncc1Br)[C@@H](Br)c1cccc(OCc2ccccc2)c1 1924042960 GQCNSMQAPJXMJX-QVKFZJNVSA-N 461.197 6.663 50 10 JKGE O=[N+]([O-])c1ccc([C@H](Cl)c2c(Br)sc(Br)c2Br)o1 1924589638 DMPGZFFUPJIZFZ-ZETCQYMHSA-N 480.359 5.865 50 10 JKGE COc1cc(Br)c(C)cc1[C@@H](Br)c1csnc1Br 1925270191 KPCMTGUUWIUQNJ-LLVKDONJSA-N 455.997 5.469 50 10 JKGE CCOc1c(Br)cc(Br)cc1C[C@@H](CCl)NC(=O)OC(C)(C)C 1984032786 HCMQJVHRKPUPCJ-LBPRGKRZSA-N 471.617 5.285 50 10 JKGE C[C@H](c1ccncc1Br)[C@@H](Br)c1cc(I)sn1 2007644722 QMNYACUZVYTYEF-KSBSHMNSSA-N 487.986 5.145 50 10 JKGE C[C@@]1([C@H](Br)c2c(Br)sc(Br)c2Cl)CCCCO1 2021893499 LVMKDSUCCIFCGQ-KCJUWKMLSA-N 467.448 6.322 50 10 JKGE CCN(C[C@](C)(CI)O[C@H]1CC(C)(C)C1(C)C)C(=O)OC(C)(C)C 2025011142 PBDOPZJFKLPKFR-LIRRHRJNSA-N 453.405 5.278 50 10 JKGE CCc1cc(Br)c([C@@H](Br)c2cc(Br)ccc2C)s1 2029232893 MUKYWXIFTOSNQD-ZDUSSCGKSA-N 453.037 6.628 50 10 JKGE CCc1sc(Br)cc1[C@@H](Br)Cc1cccc(Br)c1 2030223347 TWWJVTUCRSTAJL-LBPRGKRZSA-N 453.037 6.514 50 10 JKGE C[C@@]1([C@@H](Cl)c2c(Br)sc(Br)c2Br)CCCC1(F)F 2048965769 BKXMPPTVMVHGAO-XVKPBYJWSA-N 487.429 7.141 50 10 JKGE C=C1C(=O)O[C@@H]2C[C@@H]3[C@]4(C)CC[C@H]([C@H](C)CCC=C(C)C=O)[C@]4(C)CC[C@]34C[C@]4(CCC(=O)OC)[C@@H]12 2053639158 FPFAZZFTBDKRJL-DUYQIWDASA-N 496.688 6.212 50 10 JKGE CC(C)Cc1ccc(Cn2nc(CCl)c(I)c2C(F)(F)F)cc1 2079211901 DTTWESIBUJYDRX-UHFFFAOYSA-N 456.677 5.492 50 10 JKGE COc1c(Cl)cc(Br)cc1[C@H](Br)c1csnc1Br 2082866095 NIZOOAQOFRRGSF-VIFPVBQESA-N 476.415 5.814 50 10 JKGE Fc1cc([C@@H](Cl)c2ccc(Br)cc2Br)ccc1Br 2083329685 GNBUBRUHXKITOZ-CYBMUJFWSA-N 457.362 6.441 50 10 JKGE C[C@H]1CC[C@@H](CC(CBr)(CBr)c2ccccc2Br)C1 2101724777 OOGMNCSSLOSZKV-QWHCGFSZSA-N 453.056 6.303 50 10 JKGE ClCCc1nc2cc(Cl)c(Br)cc2n1CC1CN(Cc2ccccc2)C1 2112695353 GPQPRYQBPJWGOO-UHFFFAOYSA-N 453.211 5.366 50 10 JKGE Clc1ccc(I)c(CC[C@H](Cl)c2ccccc2Br)c1 2113445878 APZHLMUIKBWHSW-AWEZNQCLSA-N 469.975 6.620 50 10 JKGE Fc1cc(Br)cc(Oc2cccc(Br)c2F)c1CBr 2114265777 IJLPFSRMBIBWLN-UHFFFAOYSA-N 456.906 6.177 50 10 JKGE Cc1cc(Br)c(C)c([C@H](Br)C[C@@H]2CO[C@@H](C)C2)c1Br 2136369211 BZEQAJNGYVPVEX-UFGOTCBOSA-N 455.028 6.080 50 10 JKGE Cc1cc(Cl)c([C@H](Br)c2cc(Br)ccc2Br)cc1Cl 2136691342 HGYKVQBHFOTJDG-CQSZACIVSA-N 487.844 7.311 50 10 JKGE COc1c(Cl)cc(Br)cc1[C@@H](Br)c1c(C)nsc1Br 2138254466 HHTHYHPKVWMOBC-SNVBAGLBSA-N 490.442 6.123 50 10 JKGE Clc1ccc(Oc2ccc(CBr)c(Br)c2)c(Br)c1Cl 2141427047 WCLHARCZKMJTML-UHFFFAOYSA-N 489.816 7.206 50 10 JKGE Cc1ccc(OCc2ccc(I)c(Cl)c2)c(CBr)n1 2142945752 HBLSMVXFWLEMDO-UHFFFAOYSA-N 452.517 5.122 50 10 JKGE Clc1csc([C@@H](Br)c2cc(Br)cc3c2OCCC3)c1Cl 2152528045 NWVCIEJFBWQYLI-NSHDSACASA-N 457.014 6.627 50 10 JKGE O=[N+]([O-])c1sc(CBr)cc1N1[C@H]2CCC[C@H]1CN(Cc1ccccc1)CC2 2166619791 AOXSFLFOOXUQJX-IRXDYDNUSA-N 450.402 5.185 50 10 JKGE O=C(c1cc(Br)c(Br)s1)N1CCC[C@@H]2CC[C@@H](Br)C[C@H]21 2167015502 ZZMHJXJVAHLNLE-FXPVBKGRSA-N 486.067 5.441 50 10 JKGE CC[C@H](Cl)[C@@H]1CCCCN1C(=O)c1cc(I)ccc1Br 2170613119 BXLCAQYKBDSFFO-KBPBESRZSA-N 470.576 5.066 50 10 JKGE CN([C@@H]1CC[C@@H]1OCc1ccccc1)S(=O)(=O)c1cc(CBr)c(Cl)cc1Cl 2179835556 UVSNAVJBOMQBDH-MSOLQXFVSA-N 493.250 5.257 50 10 JKGE CCN(C[C@](C)(CI)OC1CC2(CCC(C)(C)CC2)C1)C(=O)OC(C)(C)C 2193410896 JKSJMELIAQZKAQ-NRFANRHFSA-N 493.470 6.203 50 10 JKGE C[C@H]1OCC[C@@H]1CCC(CBr)(CBr)c1cccc(Br)c1 2196319250 YQVQSPBNMUISMA-OLZOCXBDSA-N 469.055 5.682 50 10 JKGE COc1cc(C)c([C@@H](Br)c2c(C)nn(C)c2Br)cc1Br 2198735440 SJHCDPSQIWKOSO-CYBMUJFWSA-N 466.999 5.055 50 10 JKGE BrCc1cc(Br)c(OC[C@@H]2C[C@@H]2C2CCCC2)c(Br)c1 2200391227 PSBBUDMQFGNYHR-QWHCGFSZSA-N 467.039 6.312 50 10 JKGE COC[C@@H]1CC[C@@H]([C@@H](Br)c2c(C)c(Br)cc(C)c2Br)C1 2201076594 FXWBEYXNOFKUGW-XHBSWPGZSA-N 469.055 6.327 50 10 JKGE Cc1cc(Br)c([C@H](Br)c2sc(C)c(Br)c2C)s1 2213748872 SIOOLIIIHIFMLK-SNVBAGLBSA-N 459.066 6.744 50 10 JKGE CCN(CC)C[C@H](Cl)Cc1sc(Br)c(Br)c1Br 2216419676 LDOKGGDDAMJHSO-SSDOTTSWSA-N 468.480 5.527 50 10 JKGE ClCc1nc2cc(Br)c(Br)cc2n1C1CC(OCc2ccccc2)C1 2218651100 UTELFKHZGLTLIF-UHFFFAOYSA-N 484.619 6.220 50 10 JKGE Cc1sc(C[C@H](Br)c2ccc(Br)cc2)c(Br)c1C 2221822049 IKPOOLBDUWDMGC-LBPRGKRZSA-N 453.037 6.569 50 10 JKGE Fc1ccc([C@@H](Br)c2cc(Br)c(Br)cc2F)cc1F 2225616728 IWUCUFVNRSDTTA-CYBMUJFWSA-N 458.897 6.113 50 10 JKGE COc1cc(C)c([C@@H](Br)c2scc(Br)c2C)cc1Br 2226127529 WUDSTXXXLUFMNI-CYBMUJFWSA-N 469.036 6.383 50 10 JKGE CCN(C[C@](C)(CI)O[C@@H]1CCCC[C@@H]1C(F)(F)F)C(=O)OC(C)(C)C 2231399036 IGROEEBTKQZGHK-VBQJREDUSA-N 493.348 5.575 50 10 JKGE Cc1ccc([C@H](Cl)c2c(Br)cc(Cl)c(Cl)c2Cl)c(Br)c1 2232511465 KSFPDCVFFKOWMV-LBPRGKRZSA-N 477.838 7.808 50 10 JKGE CC1(C)C[C@@H](n2c(CCl)nc3c(F)cc(Br)cc32)[C@H]1OCc1ccccc1 2232920645 CVXXRXMZQJIVDH-YLJYHZDGSA-N 451.767 6.233 50 10 JKGE Fc1cc(Br)c(Br)cc1[C@@H](Br)C1CC2(C1)CC21CCC1 2233977315 UFQMSHGMBVZFPO-GZMNYFOGSA-N 467.014 6.757 50 10 JKGE COc1ccc(Br)c(CBr)c1OCc1ccccc1Br 2236038551 ORCNPPTXIZFHFQ-UHFFFAOYSA-N 464.979 5.694 50 10 JKGE CCc1cc([C@H](Br)c2cccc(OCc3ccccc3)c2)sc1Br 2248057702 RVNPIYALQRGJCH-LJQANCHMSA-N 466.238 7.136 50 10 JKGE Cc1scc([C@H](Br)Cc2cc(Br)cc(Br)c2)c1C 2263518372 CTLUEFSSTMXVOF-CQSZACIVSA-N 453.037 6.569 50 10 JKGE Cc1cc(Cl)c([C@H](Br)c2c(F)cccc2I)cc1Cl 2267744610 OAEDCLSKWVUZFP-AWEZNQCLSA-N 473.938 6.530 50 10 JKGE CC(C)([C@H](Br)Cc1cc(Br)cc(Br)c1)[C@H]1CCCO1 2277962300 FRWGVYTZTSPOML-ZIAGYGMSSA-N 455.028 5.723 50 10 JKGE Fc1cc(Br)c(F)c(Br)c1[C@H](Br)C[C@@H]1C[C@@H]1C(F)(F)F 2288361716 DLUWJCYRKCSMLH-HCWXCVPCSA-N 486.898 6.514 50 10 JKGE Fc1cccc(Br)c1C[C@@H](CBr)Cc1ccccc1Br 2289736704 AMZLLBMGQHKQAD-NSHDSACASA-N 464.998 6.147 50 10 JKGE C=CCOc1ccc(Cl)cc1C=C(C#N)C(=O)Nc1ncc(Cc2cccc(Cl)c2)s1 2293038601 NUYPCTPULLWJPL-UHFFFAOYSA-N 470.381 6.151 50 10 JKGE Cc1ccc(Cl)cc1NC(=O)C(C#N)=Cc1cn(Cc2ccc(Cl)cc2)c2ccccc12 2294172041 WPUDWUOTPDDMNH-UHFFFAOYSA-N 460.364 6.851 50 10 JKGE COc1cc(Cl)c([C@H](Cl)c2scc(Br)c2Br)c(OC)c1 2294911125 CJDZCGNZLCUHFW-LBPRGKRZSA-N 461.002 6.272 50 10 JKGE COc1cccc(Br)c1[C@@H](Cl)Cc1cc(Br)cc(Br)c1 2295330772 ZQOMGJMRQDKWHQ-ZDUSSCGKSA-N 483.425 6.505 50 10 JKGE Clc1ccc(C[C@H](Br)c2cc3sc(Br)cc3s2)cc1Cl 2295401770 MEPKTHVEPCNAFZ-QMMMGPOBSA-N 471.066 7.711 50 10 JKGE COc1ccc(C(=O)Oc2ccc(C=C(C#N)C(=O)Nc3cc(Cl)cc(Cl)c3)cc2)cc1 2295459753 USTDTNRMSCHQNQ-UHFFFAOYSA-N 467.308 5.767 50 10 JKGE CCc1cccc(CC)c1NC(=O)C(C#N)=Cc1c(C)nn(-c2ccccc2Cl)c1Cl 2297488341 DOJVWJFUWXCJCH-UHFFFAOYSA-N 453.373 6.158 50 10 JKGE CCOC1CC([C@H](Br)c2cc(Br)ccc2OCc2ccccc2)C1 2299505330 VXNARSQTADZEDT-LAGYLCCXSA-N 454.202 6.279 50 10 JKGE C[C@]1([C@@H](Br)c2sc(Cl)cc2I)C[C@@H]1C(F)(F)F 2300952979 CXWWNZZOKJHQJH-HQLVHBAOSA-N 459.496 6.031 50 10 JKGE COc1cc(C=C(C#N)c2ccc([N+](=O)[O-])cc2)cc(Cl)c1OS(=O)(=O)c1ccc(C)cc1 2313540984 HWEKRNLKEFESDF-UHFFFAOYSA-N 484.917 5.397 50 10 JKGE Cc1ccc(NC(=O)C(C#N)=Cc2cc(Br)ccc2OCc2ccc3ccccc3c2)cc1 2313570821 GVBUOHQTDMIRQQ-UHFFFAOYSA-N 497.392 7.035 50 10 JKGE Cc1ccc(N2C(=O)[C@@H](Cc3ccccc3C)SC2=C(C#N)C(=O)Nc2ccccc2C)cc1C 2314592089 LSLWAMLMACMWNW-AREMUKBSSA-N 481.621 5.985 50 10 JKGE N#CC1=C(N)Oc2cc(OC(=O)C=Cc3ccccc3Cl)ccc2[C@H]1c1c(Cl)cccc1Cl 2314634345 GFTQSBZAMVSHMM-HSZRJFAPSA-N 497.765 6.484 50 10 JKGE C[C@@H]1C[C@@]2([C@H](Br)c3c(Cl)cc(Br)c(F)c3Br)C[C@@H]12 2315442096 PEGAIAPZRXPIGK-PLSZNQMNSA-N 461.394 6.486 50 10 JKGE C[C@@H]1OCC[C@H]1[C@H](Br)c1c(Cl)cc(Br)c(F)c1Br 2315450184 ZHJHUPWCSUTJTK-ZTNVNUCQSA-N 465.382 5.865 50 10 JKGE Clc1cccc(C[C@H](CBr)Cc2sccc2I)c1 2316663816 DOGDLBFBLMRLAH-NSHDSACASA-N 455.586 5.802 50 10 JKGE COc1cc(C=C(C#N)c2cccc(Cl)c2)ccc1OC(=O)c1ccc(C(F)(F)F)cc1 2320506369 IDSYFFIZWLEJFU-UHFFFAOYSA-N 457.835 6.651 50 10 JKGE CSCC[C@H](NC(=O)OC(C)(C)C)C(=O)NN=Cc1cccc(OCc2ccc(Cl)cc2)c1 2328826192 TWWKRLRRPMMQMU-NRFANRHFSA-N 492.041 5.016 50 10 JKGE COc1cc(C=C(C#N)c2nc(-c3ccc([N+](=O)[O-])cc3)cs2)ccc1OCCCc1ccccc1 2331434159 DHJDEHRMHJIYPH-UHFFFAOYSA-N 497.576 6.803 50 10 JKGE CCOc1cc(C=C(C#N)c2nc(-c3cc(C)ccc3C)cs2)ccc1OCc1ccccc1C 2331445870 VVCYAMPGONPNII-UHFFFAOYSA-N 480.633 7.777 50 10 JKGE CCCOc1ccc(C=C(C#N)c2nc(-c3cc(C(C)(C)C)ccc3C)cs2)cc1OCC 2331478676 VGWPLWWXODFJJE-UHFFFAOYSA-N 460.643 7.668 50 10 JKGE CCCCCCOc1ccc(C=C(C#N)c2nc(-c3cc(C)c(OC)cc3C)cs2)cc1OC 2331485762 XQYQXQLFBBPDKB-UHFFFAOYSA-N 476.642 7.467 50 10 JKGE COc1ccc([C@H](Br)c2cc(Br)ccc2OCc2ccccc2)cc1Cl 2336057831 VPCSANOCFXRRCE-NRFANRHFSA-N 496.626 7.174 50 10 JKGE Fc1c(Br)cc(Cl)c([C@@H](Br)[C@@H]2C[C@H]3CC[C@H]2O3)c1Br 2337081295 UTKRFRJDYFTBRY-KFRUTSSUSA-N 477.393 6.008 50 10 JKGE Cc1cc(Br)c(F)c(Br)c1[C@@H](Br)C12CCC(CC1)O2 2339656731 QNMBEKNSKOFSJG-FEUBCLPYSA-N 456.975 5.807 50 10 JKGE COc1c(Br)cc(C)c([C@@H](Cl)c2cc(Br)co2)c1Br 2339663916 QTLYQUOJVYCHSL-LBPRGKRZSA-N 473.386 6.212 50 10 JKGE Clc1ccc(CC2(CBr)CC3(C2)CC32CC2)c(I)c1 2341031142 XNONHSXXQAYPID-UHFFFAOYSA-N 451.573 5.833 50 10 JKGE CCC[C@@H]1CN(Cc2ccc(I)c(Br)c2)C[C@H]1CCl 2349832212 UQAXXPABGFXNRK-CHWSQXEVSA-N 456.593 5.141 50 10 JKGE CN(Cc1cc(I)ccc1Cl)[C@H]1CCCCC[C@H]1Br 2352413158 DIJBAMUGFBJMFC-HIFRSBDPSA-N 456.593 5.473 50 10 JKGE Brc1ccc(OCc2ccccc2)c([C@@H](Br)[C@@H]2CCCc3ccccc32)c1 2361178650 POPCYWBGHVTCRQ-QPPBQGQZSA-N 486.247 7.584 50 10 JKGE Fc1c(Br)cc(Cl)c([C@@H](Cl)C[C@@H]2CCCC2(F)F)c1Br 2362229365 SJGFIFNIZPGXJF-XPUUQOCRSA-N 454.939 7.110 50 10 JKGE Cc1cc(Br)c(F)c(Br)c1[C@H](Br)c1sc(C)c(C)c1C 2365228380 OZSKNWURRZURMU-ZDUSSCGKSA-N 485.054 7.130 50 10 JKGE CC(C)(C)OC(=O)N1CCC(CI)(OCc2cccc(C3CCC3)c2)CC1 2369886765 FIYKCVCFPGIQMR-UHFFFAOYSA-N 485.406 5.675 50 10 JKGE CCc1cc(Br)c(OC)c([C@H](Cl)c2ccc(I)cc2)c1 2381248029 SSHNFRYTTACLDB-OAHLLOKOSA-N 465.556 5.953 50 10 JKGE Cc1cc(C)c([C@@H]2C(C#N)=C(N)OC3=C2C(=O)CCC3)cc1CSc1ccc(Br)cc1 2727595 YKKDYFXNVUWXAB-HSZRJFAPSA-N 495.442 6.173 50 10 JKGE Cc1cc([N+](=O)[O-])ccc1NC(=O)/C(C#N)=C\c1ccc(OC(=O)c2cccc(Cl)c2)cc1 33930012 KWLUJNWBXWYZMG-PDGQHHTCSA-N 461.861 5.322 50 10 JKGE CC1=C(C#N)C(=O)N(Cc2ccco2)C(=O)/C1=C/c1cn(-c2ccccc2)nc1-c1cc(C)ccc1C 38606831 KZVHCXYDTJOEOB-CVKSISIWSA-N 488.547 5.542 50 10 JKGE N#CC1=C(N)Oc2cc(OC(=O)COc3ccccc3)ccc2[C@@H]1c1ccc(Cl)c(Cl)c1 38655718 GNZPVBBVHUBSMN-QHCPKHFHSA-N 467.308 5.196 50 10 JKGE CCCCCOc1ccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)Cc4ccccc4)ccc32)cc1OC 38660311 JBLDVGFASPOBGO-LJAQVGFWSA-N 498.579 5.630 50 10 JKGE N#CC1=C(N)Oc2cc(OC(=O)c3ccc(Cl)cc3)ccc2[C@H]1c1cccc(Oc2ccccc2)c1 38660776 BESAFBNQQFAFRJ-HHHXNRCGSA-N 494.934 6.570 50 10 JKGE N#C/C(=C\c1ccc(OC(=O)/C=C/c2ccco2)cc1)c1nc(-c2ccc(Cl)cc2)cs1 39868005 RYYZYQANEAFYTP-OTIKAVQOSA-N 458.926 6.739 50 10 JKGE CCOc1cccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)[C@H](C)Oc4ccc(C(C)C)cc4)ccc32)c1 40530196 IYNBSVHPTJNGGF-HMILPKGGSA-N 498.579 5.800 50 10 JKGE Cc1ccccc1NC(=O)c1oc2c(c1C)/C(=N/NC(=O)c1cccc3ccccc13)CCC2 40813597 HHGWXJHQTXPRME-JJKYIXSRSA-N 451.526 5.772 50 10 JKGE CCc1ccc(NC(=O)c2oc3c(c2C)/C(=N/NC(=O)Cc2coc4cc(C)cc(C)c24)CCC3)cc1 40826889 VPJQKBPUUUPQMM-AWSUPERCSA-N 497.595 6.165 50 10 JKGE COc1cc(/C=N\NC(=O)CC[C@@H](O)c2ccccc2)c(Br)cc1OCc1ccccc1 58890160 DAKQNXGMZFQZDQ-IEZSBWOXSA-N 497.389 5.001 50 10 JKGE Cc1cc(/C=N\NC(=O)CC[C@H](O)c2ccccc2)c(C)n1-c1ccc(OCc2ccc(F)cc2)cc1 58890715 QATOFOYZNIZGLJ-LLQGPRFRSA-N 499.586 5.776 50 10 JKGE Cc1ccc(S(=O)(=O)Oc2ccc(/C=N/NC(=O)[C@H](C)c3ccc(CC(C)C)cc3)cc2)cc1 59160271 ZTUOMNANCXOIKG-YFHGFKKUSA-N 478.614 5.215 50 10 JKGE Cc1sc(-n2c(C)cc(/C=C(\C#N)C(=O)Nc3cccc(Cl)c3Cl)c2C)c(C#N)c1C 59336314 BHUDASGKBVMDQR-RQZCQDPDSA-N 469.397 6.497 50 10 JKGE Cc1cc([C@@H](Br)c2cc(Br)ccc2F)c(C)cc1Br 70471957 NRQZPWONKVKJIY-OAHLLOKOSA-N 450.971 6.452 50 10 JKGE C/C(CC(=O)Nc1ccc(Cl)cc1Cl)=N\NC(=O)COc1ccc(Cl)cc1Cl 103604321 DGXDHLMVVLJJHF-YSURURNPSA-N 463.148 5.200 50 10 JKGE COc1cc(C)c(Br)cc1[C@H](Cl)c1ccccc1I 115069929 FTWOYBYHHRFPCK-OAHLLOKOSA-N 451.529 5.699 50 10 JKGE Fc1cc(Br)ccc1[C@H](Br)c1cc(Cl)c(Br)s1 127577066 RONKBJYYUJWFDE-JTQLQIEISA-N 463.391 6.550 50 10 JKGE Fc1cc(Br)ccc1[C@@H](Br)c1cc(Cl)c(Br)s1 127577292 RONKBJYYUJWFDE-SNVBAGLBSA-N 463.391 6.550 50 10 JKGE Fc1cc2c(cc1I)nc(CCl)n2Cc1sccc1Br 148437423 OVXHFTNKNKJQSO-UHFFFAOYSA-N 485.547 5.391 50 10 JKGE Fc1cc2nc(CCl)n(-c3ccccc3I)c2cc1Br 158512213 TZCQBBMUNMPRJW-UHFFFAOYSA-N 465.491 5.271 50 10 JKGE COc1ccc(CO[C@@](C)(CI)c2ccccc2Br)cc1 162237558 FKBZJZRSPJODCC-KRWDZBQOSA-N 461.137 5.325 50 10 JKGE Clc1ccc([C@H](CI)OCc2ccc(Br)cc2)cc1 162533827 SBYXSPHURYNNPW-HNNXBMFYSA-N 451.529 5.795 50 10 JKGE CCOc1ccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)/C=C\c4ccccc4)ccc32)cc1OCC 205653229 KNQIQBUVXYZSNW-HBZAZXRSSA-N 482.536 5.321 50 10 JKGE CCCCOc1ccc(-c2csc(NC(=O)/C(C#N)=C\c3ccc(OCCC)cc3)n2)cc1 206727193 ADAJLHHEOFNSAB-PGMHBOJBSA-N 461.587 6.323 50 10 JKGE Cc1c(Cl)cccc1[C@@H](Br)c1cc(Br)ccc1Br 219932606 LCJMBSQQVXONNK-CQSZACIVSA-N 453.399 6.658 50 10 JKGE BrCc1cc(Br)ccc1Oc1ccccc1I 232479491 SPVDFYYHQUDTQP-UHFFFAOYSA-N 467.926 5.741 50 10 JKGE Cl[C@@H](c1ccc(Br)s1)c1cc(I)ccc1Br 236033229 PFWXBQIGJYUKSI-LLVKDONJSA-N 492.401 6.206 50 10 JKGE CCn1c(SCC(=O)NN=Cc2cc(C(C)(C)C)c(O)c(C(C)(C)C)c2)nc2ccccc21 254478937 KOOPMZHBLVZYKN-UHFFFAOYSA-N 466.651 5.599 50 10 JKGE CC(C)(C)CC(C)(C)c1ccc(OCC(=O)NN=Cc2ccc(OC(=O)c3ccccc3)cc2)cc1 254555333 JSBPIYFKJJNLIQ-UHFFFAOYSA-N 486.612 6.149 50 10 JKGE CC(C)(C)c1cc(C=NNC(=O)COc2ccc(Cl)cc2Cl)cc(C(C)(C)C)c1O 254896086 BNSIVZJIFDBMRC-UHFFFAOYSA-N 451.394 5.823 50 10 JKGE Clc1ccsc1COc1c(Br)cc(CBr)cc1Br 306088700 KXJNYUIKHDHQGV-UHFFFAOYSA-N 475.427 6.400 50 10 JKGE Cc1cc(C)c([C@@H](Br)c2c(C)cccc2Br)c(C)c1Br 380277272 AWJFFPHMSTXMMX-QGZVFWFLSA-N 461.035 6.930 50 10 JKGE O=C(OCc1ccccc1)N1C[C@H](c2ccc(Cl)cc2)[C@@H](CI)C1 382684223 GRBPKNYXXICEOV-FUHWJXTLSA-N 455.723 5.127 50 10 JKGE CCOc1ccc(Br)cc1[C@H](Br)c1cc(Br)oc1C 396501239 REPAXTYXWKNFNW-CQSZACIVSA-N 452.968 5.996 50 10 JKGE CCC[C@@H]1CC[C@H](Br)[C@H](Cc2cc(Cl)ccc2I)C1 405341090 MWWUEEMNMJFZEF-XUJVJEKNSA-N 455.605 6.467 50 10 JKGE Cc1cccc(N2CCN(C(=O)c3cccc(NC(=O)Nc4ccc(SC#N)cc4)c3)CC2)c1 586716815 FOEKFCQBOCMGFH-UHFFFAOYSA-N 471.586 5.175 50 10 JKGE COCc1cc(Br)c([C@@H](Br)c2c(F)cc(Br)cc2F)s1 688058257 DFLSSWCRSVGGGU-LBPRGKRZSA-N 490.989 6.182 50 10 JKGE Brc1cc2c(c([C@@H](Br)c3ncsc3Br)c1)OCC2 698641645 PRRKMPNRTJIREW-SECBINFHSA-N 453.981 5.087 50 10 JKGE C[C@]12CN(Cc3ccccc3)C[C@@H]1CN(c1ccc(Br)cc1CBr)C2 702091405 YUMBCRBQSHTGEL-WIYYLYMNSA-N 464.245 5.302 50 10 JKGE FC(F)(F)c1cc(Cl)ccc1[C@@H](Cl)c1cc(Br)c(Br)s1 712620363 QWCXOWQXHIOXRE-SNVBAGLBSA-N 468.947 7.274 50 10 JKGE Cc1ccc([C@@H](Br)c2ccc(OCc3ccccc3)cc2)c(C)c1Br 719559187 FBTDDSVTZFPZTJ-QFIPXVFZSA-N 460.209 7.129 50 10 JKGE Cc1cc([C@@H](Cl)c2ccc(I)c(Br)c2)c(Cl)cc1F 721601865 IFOVGIBGQCMQAN-AWEZNQCLSA-N 473.938 6.483 50 10 JKGE COC[C@H](CC(CBr)(CBr)c1cccc(Br)c1)C(C)C 721849448 ABRBLPWHZVDGDB-ZDUSSCGKSA-N 471.071 5.785 50 10 JKGE Cc1sc(C)c([C@H](Br)c2cc(Br)ccc2Br)c1C 722487805 SDZHSYUDTMJHCP-CQSZACIVSA-N 453.037 6.683 50 10 JKGE Cc1sc(C)c([C@@H](Br)c2cc(Br)c(Br)s2)c1C 722495803 MQGPSNGHQYAJQB-NSHDSACASA-N 459.066 6.744 50 10 JKGE Cc1nn(-c2ccccc2)c(N(C2CCCCC2)C2CCCCC2)c1C=NNC(=O)c1ccccc1O 1084032826 WTPZBVYSYWPGCI-UHFFFAOYSA-N 499.659 6.122 50 10 JKGE COc1cc(C=NNC(=O)c2ccc(NC(=O)c3ccc(C(C)(C)C)cc3)cc2)cc(OC)c1OC 1084276333 OIWNIBUFYMADAN-UHFFFAOYSA-N 489.572 5.026 50 10 JKGE O=C(NN=Cc1cccc(Br)c1)C(Oc1ccc(Cl)cc1)Oc1ccc(Cl)cc1 1084508234 WEBIKHUJJKKKHI-UHFFFAOYSA-N 494.172 5.690 50 10 JKGE Cc1ccccc1C=NNC(=O)COc1ccc2cc(Br)ccc2c1Br 1084583567 DUHLYPZUQYEMGA-UHFFFAOYSA-N 476.168 5.202 50 10 JKGE CCN(CC)S(=O)(=O)c1ccc(C(=O)Oc2cccc(/C=C(\C#N)c3ccccc3OC)c2)cc1 1615179615 NABDZWYMRJKARR-OQKWZONESA-N 490.581 5.009 50 10 JKGE Cc1ccc(-c2cc(C(=O)N/N=C/c3ccc4c(c3)OCO4)c3cc(Br)ccc3n2)cc1 1615950395 RAGGJKJDJBLAAV-UVHMKAGCSA-N 488.341 5.465 50 10 JKGE Cc1c(C(=O)N2CCCc3ccccc32)oc2c1C(=NNC(=O)c1ccc(Cl)cc1)CCC2 1772744140 UUUSQWKRHFQOPE-UHFFFAOYSA-N 461.949 5.305 50 10 JKGE Cc1c(C(=O)Nc2ccc(C(C)C)cc2)oc2c1C(=NNC(=O)c1ccccc1Cl)CCC2 1772744623 YUAAKVDJLHAIGT-UHFFFAOYSA-N 463.965 6.088 50 10 JKGE C[C@@H](Oc1ccc(Cl)cc1Cl)C(=O)N1CCC(C(=O)Nc2ccc(SC#N)cc2)CC1 1860595841 FKUIQQYEUHKVTH-CQSZACIVSA-N 478.401 5.211 50 10 JKGE COc1ccc(-c2nn(Cc3cccc(F)c3)c3c2[C@@H](c2ccc(N(C)C)cc2)C(C#N)=C(N)O3)cc1 1865683321 ISWFSVJGQJOCAH-VWLOTQADSA-N 495.558 5.030 50 10 JKGE COc1cccc([C@@H]2C(C#N)=C(N)Oc3c2c(-c2ccccc2)nn3Cc2ccc(Cl)cc2)c1O 1865684648 UUKZEPYLQMUSBV-JOCHJYFZSA-N 484.943 5.184 50 10 JKGE N#CC1=C(N)Oc2c(c(-c3ccccc3)nn2-c2ccccn2)[C@H]1c1ccc(Cl)cc1Cl 1865685359 HLOZJCCXELPWMW-FQEVSTJZSA-N 460.324 5.459 50 10 JKGE CCc1nn(Cc2ccccc2F)c2c1[C@@H](c1ccc(OCc3ccccc3)cc1)C(C#N)=C(N)O2 1865690321 OONDMTPFMUIDND-SANMLTNESA-N 480.543 5.430 50 10 JKGE CCCc1nn(Cc2cccc(Cl)c2)c2c1[C@@H](c1cc(Br)ccc1O)C(C#N)=C(N)O2 1865696434 MQKAWCAXFYWCJF-FQEVSTJZSA-N 499.796 5.224 50 10 JKGE CCCOc1ccccc1[C@H]1C(C#N)=C(N)Oc2c1c(CCC)nn2-c1ccc(Br)cc1 1865703739 DLBFJQLYZDHPLJ-QFIPXVFZSA-N 493.405 5.594 50 10 JKGE CCCc1nn(-c2cccc(Cl)c2)c2c1[C@@H](c1ccc(Br)cc1)C(C#N)=C(N)O2 1865714710 OAYAIZBBJZPYSN-IBGZPJMESA-N 469.770 5.459 50 10 JKGE CCc1ccc(-c2ccc(C(=O)NNC(=O)/C=C/c3ccc(OCc4ccccc4)cc3)c(C)n2)cc1 1865758551 GFNOMDGTBNLJHU-DEDYPNTBSA-N 491.591 5.673 50 10 JKGE CCCC[C@@H](NC(=O)[C@@H](Cc1ccncc1)c1ccccc1)C(=O)Nc1ccc(SC#N)cc1 1866703717 WKIGVQMYVVFYRP-LOSJGSFVSA-N 472.614 5.295 50 10 JKGE CCCCCCCCCOc1ccc(/C=C(\C#N)S(=O)(=O)c2ccc(Cl)cc2)cc1OCC 1872727160 BEEGBQDPAHULLZ-HKOYGPOVSA-N 490.065 7.206 50 10 JKGE COc1cc(/C=C/C(O)=C(\C#N)c2nc(-c3cccc(Cl)c3)cs2)ccc1OC(C)=O 1872748481 ZEFVLPLLRJEKSV-PTYIPUSCSA-N 452.919 5.903 50 10 JKGE CCOc1ccc(-c2csc(/C(C#N)=C(\O)[C@@H](C)Oc3ccc(Cl)cc3)n2)c(OCC)c1 1872755501 QRIMGRSCUKFBLG-LYLVPTPKSA-N 470.978 6.521 50 10 JKGE Fc1cc(C[C@H](Br)c2cccc(Br)c2)c(F)cc1Br 1894896505 YVONPMRQGCZYOQ-NSHDSACASA-N 454.934 6.169 50 10 JKGE CC(C)[C@@H]1C[C@H]1[C@@H](Br)c1c(Br)sc(Br)c1Cl 1897482449 LILTZXWAPCATPU-SHYZEUOFSA-N 451.449 6.655 50 10 JKGE Cl[C@H](c1c(Br)sc(Br)c1Br)[C@@]12CCCC[C@@H]1C2 1909844320 FQXMMAQNSWZAEJ-AKGNYGMASA-N 463.460 6.896 50 10 JKGE C[C@@H](Br)CN(Cc1ccccc1)Cc1ccc(Br)cc1Br 1914609278 UGKOJRMEYTYREM-CYBMUJFWSA-N 476.050 5.997 50 10 JKGE Cc1c(Br)sc([C@@H](Br)c2ccc(Cl)cc2)c1Br 1922942749 SIPJCUHCAGKOGQ-JTQLQIEISA-N 459.428 6.719 50 10 JKGE Cc1cccc(C)c1[C@H](Br)c1sc(Br)c(C)c1Br 1922946118 NWGCHMYWTLTSTI-LBPRGKRZSA-N 453.037 6.683 50 10 JKGE CCCc1ccccc1[C@@H](Br)c1c(Br)sc(Br)c1Cl 1923065430 CEJFLADLCZJKKJ-LLVKDONJSA-N 487.482 7.363 50 10 JKGE Fc1ccc(C[C@@H](Cl)c2c(Br)sc(Br)c2Br)c(F)c1 1924600326 QAABKHXQPOOKBA-SSDOTTSWSA-N 495.408 6.836 50 10 JKGE CC1(C)C[C@@H]1CC[C@H](Cl)c1c(Br)sc(Br)c1Br 1924615032 VNIXYADHQNJSMK-BQBZGAKWSA-N 465.476 7.142 50 10 JKGE Cl[C@@H](c1c(Br)sc(Br)c1Br)[C@@H]1CC[C@H]2C[C@H]2CC1 1924615920 ILRXGPRIVFOCTR-FBSDJGSXSA-N 477.487 7.142 50 10 JKGE Brc1cccnc1C[C@H](Br)c1sccc1I 1924900914 OVEWBYWRVWHPQH-QMMMGPOBSA-N 472.971 5.189 50 10 JKGE Clc1sc(Br)c(Cl)c1[C@H](Cl)c1sccc1I 1925575038 WCPDBWFXDUOOFV-YFKPBYRVSA-N 488.424 6.812 50 10 JKGE COc1ccc(CC[C@@H](Br)c2c(Cl)sc(Br)c2Cl)cc1 1925601710 XMQFURZEZNYDNX-SNVBAGLBSA-N 459.030 6.895 50 10 JKGE Cn1nc([C@H](Br)c2cc(Br)sc2Br)cc1Br 1937822394 YHVGGNRYTMOKFN-MRVPVSSYSA-N 493.844 5.253 50 10 JKGE O=C(C1CC1)[C@H](Br)Cc1cc(Br)c(Br)c(Br)c1 1946435037 RANOLHCBRZUTEU-SNVBAGLBSA-N 489.827 5.259 50 10 JKGE FC(F)(F)[C@@H]1C[C@H]1[C@H](Cl)c1c(Br)sc(Br)c1Br 1950756896 DEAHHGSHRWFRED-SAMGZKJBSA-N 477.365 6.514 50 10 JKGE Cc1cc([C@@H](Br)c2c(Cl)sc(Cl)c2Cl)c(Br)s1 1951016018 HXOIZWHDQIBDGK-ZCFIWIBFSA-N 455.451 7.325 50 10 JKGE CO[C@@H]1CC[C@H]1C[C@H](Br)c1c(Br)sc(Br)c1Cl 2013839205 PLUZEHQAPAZKCJ-LYFYHCNISA-N 467.448 6.178 50 10 JKGE Brc1ccc([C@H](Br)c2cc(Br)c3c(c2)CCO3)s1 2030020808 HNMHNOHNQNVLRZ-GFCCVEGCSA-N 452.993 5.692 50 10 JKGE Cc1c(Cl)cc([C@H](Cl)c2cc(Br)c(Br)s2)cc1Br 2048504569 XQIKBXRIVQSHBL-NSHDSACASA-N 493.873 7.326 50 10 JKGE Clc1sccc1[C@@H](Br)c1cc(I)cc2c1OCC2 2056343273 TUUDBJFDVMBNDC-LLVKDONJSA-N 455.542 5.425 50 10 JKGE Cc1c([C@H](Br)c2c(Cl)sc(Br)c2Cl)c(Br)nn1C 2067854103 AUMXATPBKYNUBE-LURJTMIESA-N 497.865 6.106 50 10 JKGE Fc1cc(Br)c([C@@H](Cl)c2csc(I)c2)c(F)c1Cl 2081842879 FQNLKPIZVUXJQV-VIFPVBQESA-N 483.930 6.375 50 10 JKGE FC(F)(F)C(F)(F)COc1c(Br)cc(CBr)cc1Br 2089648527 IUTRUTLTJGAFSQ-UHFFFAOYSA-N 476.859 5.683 50 10 JKGE O=C(N[C@@H]1CCCC[C@@H]1CCBr)c1cc(Br)sc1Br 2090569395 UZCCHFKKANTEEF-PSASIEDQSA-N 474.056 5.347 50 10 JKGE Cc1cccc(Br)c1[C@H](Br)c1cc(C2CC2)c(Br)s1 2094673081 HBISMRCXAQUNGV-CQSZACIVSA-N 465.048 6.943 50 10 JKGE Brc1cnc(N2CCC[C@@H]3CC[C@@H](Br)C[C@H]32)c(Br)c1 2110684871 CDXNSKWBADPTPM-GIPNMCIBSA-N 453.016 5.139 50 10 JKGE Clc1ccc(CC[C@H](Br)c2ccccc2Br)c(Br)c1 2113440718 ZZZCEHUDGGINJP-AWEZNQCLSA-N 467.426 6.934 50 10 JKGE BrC[C@@H]1CN(Cc2cc(Br)ccc2Br)CC12CCC2 2118529994 DRMSYHNFIITCNF-GFCCVEGCSA-N 452.028 5.209 50 10 JKGE Cc1cc(Br)c(C)c([C@H](Br)[C@]23CCCC[C@H]2C3)c1Br 2136366891 MALZHMGIZISAFL-UVBJJODRSA-N 451.040 6.845 50 10 JKGE CO[C@@H]1CC[C@H]1C[C@H](Br)c1c(C)c(Br)cc(C)c1Br 2136380270 SWPRURJOUOUDJH-WCFLWFBJSA-N 455.028 6.080 50 10 JKGE CC[C@@]12CC[C@@]([C@@H](Br)c3cc(Br)ccc3Br)(CO1)C2 2137185423 LUNMDFLSLYAVNZ-KKUMJFAQSA-N 453.012 5.997 50 10 JKGE COc1c(Cl)cc(Br)cc1[C@H](Br)c1cn(C)c(Br)n1 2138248218 YOUAEOAXYBRWNV-JTQLQIEISA-N 473.390 5.091 50 10 JKGE CCCCCCCC[C@@H](Br)c1ccc(Br)c(C)c1Br 2138848330 ANQNUQFRCXSDDD-OAHLLOKOSA-N 455.072 7.707 50 10 JKGE Cc1c(Br)ccc([C@@H](Br)[C@@H]2CC23CCOCC3)c1Br 2138850191 LPKJCIJYTXBQRL-SMDDNHRTSA-N 453.012 5.773 50 10 JKGE Cc1c(Br)ccc([C@@H](Br)C[C@@H]2COC(C)(C)C2)c1Br 2138870278 HXJKSWJMDQMIQJ-GWCFXTLKSA-N 455.028 6.161 50 10 JKGE O=C(N[C@@H]1CCCC[C@H]1CCBr)c1cc(Br)cc(Br)c1 2146720590 URFMNCNNYDAGDY-IINYFYTJSA-N 468.027 5.285 50 10 JKGE C[C@@H]1Cc2cc([C@@H](Cl)c3cc(Br)c(Cl)s3)cc(Br)c2O1 2172560672 SMGXZFBEOOSWJG-SREIQFSDSA-N 457.014 6.578 50 10 JKGE Cc1cc(CBr)cc(C)c1OCc1cc(Br)ccc1Br 2175141023 BLTFFAXCVDTAHC-UHFFFAOYSA-N 463.007 6.302 50 10 JKGE COc1ccc([C@H](Br)c2ccc(Br)c(OC)c2)c(Br)c1 2192151051 KTQVDIYPJCGHMP-OAHLLOKOSA-N 464.979 5.713 50 10 JKGE COc1cc(F)c([C@H](Cl)c2ccc(Br)cc2I)c(F)c1 2207270570 BYIHMFITNNUIOC-CQSZACIVSA-N 473.482 5.669 50 10 JKGE Cc1csc([C@H](Br)c2sc(Br)c(C)c2Br)c1C 2213657561 WZADTLBXOOGEER-VIFPVBQESA-N 459.066 6.744 50 10 JKGE Cc1sc(Br)c(C)c1[C@@H](Br)c1cccc(Br)c1Cl 2218799047 CIFXLSHBBNTCES-NSHDSACASA-N 473.455 7.028 50 10 JKGE Cc1ccc([C@@H](C)[C@@H](Br)c2cc(Br)c(Br)s2)cc1 2223969512 QSTNAJQLKUWNLJ-NOZJJQNGSA-N 453.037 6.821 50 10 JKGE CC(C)(F)[C@@](C)(F)[C@H](Br)c1c(Br)cc(Cl)c(Cl)c1Cl 2224304599 KXIRJYCCBDPIMF-PWSUYJOCSA-N 459.383 7.322 50 10 JKGE Cc1ccc([C@H](Br)c2cc(Br)c(Br)cc2F)cc1Cl 2225617275 NOGGBFYCTATIHI-AWEZNQCLSA-N 471.389 6.797 50 10 JKGE CCCN[C@@H](c1cc(Br)c(Br)cc1F)[C@H]1C[C@H](Br)C1 2225628402 GVVIODCVKWVRDU-RFXMVYNHSA-N 458.007 5.565 50 10 JKGE COc1ccc(Br)c(CBr)c1OCc1sccc1Br 2227742400 DRRHDCCKCZEYEO-UHFFFAOYSA-N 471.008 5.756 50 10 JKGE Cc1sc([C@H](Br)c2cc(F)c(Br)cc2Cl)cc1Br 2255971235 ZMAIOSWCDDSFBE-GFCCVEGCSA-N 477.418 6.858 50 10 JKGE C[C@@H](C(F)(F)F)C(CBr)(CBr)c1cccc(Br)c1 2263899352 WKSRPEDCHMGGAL-MRVPVSSYSA-N 452.934 5.675 50 10 JKGE CC(C)([C@H](Br)c1c(F)cc(Br)c(F)c1Br)C(F)(F)F 2272855319 WIIKRLSOYMCLKT-SECBINFHSA-N 474.887 6.514 50 10 JKGE Brc1cc(Br)cc(C[C@H](Br)[C@]23CCCC[C@H]2CC3)c1 2277956891 RHTSFGGZFIUWTN-RCBQFDQVSA-N 451.040 6.488 50 10 JKGE Clc1ccc([C@H](Cl)c2csc3c(Br)cccc23)cc1I 2283587303 SGJQQDIULXOGNJ-AWEZNQCLSA-N 498.010 7.250 50 10 JKGE CCC[C@H](CC(C)C)[C@@H](Br)c1c(F)cc(Br)c(F)c1Br 2288358259 VPYMUXANVSOMRE-NOZJJQNGSA-N 477.025 7.388 50 10 JKGE CCCCCCOc1ccc(C=C(C#N)C(=O)Nc2ncc(Cc3ccc(F)cc3)s2)cc1 2293038507 IASICLHHOCMFAK-UHFFFAOYSA-N 463.578 6.378 50 10 JKGE COc1cc(OC)c([C@@H](Br)c2scc(Br)c2C)cc1Br 2295421402 NULVRZNOOLEEOD-CYBMUJFWSA-N 485.035 6.083 50 10 JKGE N#CC(=Cc1cc(Cl)ccc1OCc1ccccc1Cl)C(=O)NCc1ccc2c(c1)OCO2 2295672376 RTENOMDUTCBLFD-UHFFFAOYSA-N 481.335 5.524 50 10 JKGE Cc1ccc(C)c(NC(=O)C(C#N)=C2S[C@@H](Cc3cccc(Cl)c3)C(=O)N2c2ccccc2)c1 2296834374 DBMIJHYBVLQVQD-DEOSSOPVSA-N 488.012 6.022 50 10 JKGE N#CC(=C(Nc1ccccc1Cl)SCc1ccccc1F)S(=O)(=O)c1ccccc1 2297349967 IJGMMTQLEUUTLO-UHFFFAOYSA-N 458.967 5.991 50 10 JKGE CCCOc1c(I)cc(C=C(C#N)c2nc3cc(C)c(C)cc3[nH]2)cc1OC 2297378979 SGEJFVMUKCWMAO-UHFFFAOYSA-N 487.341 5.646 50 10 JKGE 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 2297504635 KUJXAJMABXMSCW-WBZBKIPSSA-N 460.775 7.170 50 10 JKGE COc1cc(S(=O)(=O)Nc2ccccc2C)ccc1NC=C(C=O)c1nc2cc(Cl)ccc2o1 2297531978 WXOXPLHERXEXEN-UHFFFAOYSA-N 497.960 5.251 50 10 JKGE CCOc1ccc(NC(=O)C(C#N)=Cc2cc(C)n(-c3ccc(C(=O)O)c(Cl)c3)c2C)cc1 2313562121 GFVPEYNWPAVKSS-UHFFFAOYSA-N 463.921 5.390 50 10 JKGE COc1ccc(CNC(=O)C(C#N)=Cc2cn(Cc3ccc(Cl)cc3Cl)c3ccccc23)cc1 2313738659 NEOLPBFSUCNVKU-UHFFFAOYSA-N 490.390 6.228 50 10 JKGE Cc1ccc(-c2ccc(C=C(C#N)c3nc(-c4ccc5ccccc5c4)cs3)o2)c([N+](=O)[O-])c1 2314457045 UTUWMPCPHIBKNG-UHFFFAOYSA-N 463.518 7.504 50 10 JKGE FC1(F)[C@@H]2COC[C@@]21[C@@H](Br)c1cc(Br)ccc1OCc1ccccc1 2314458429 FDYFPVAFZRVDPG-SQNIBIBYSA-N 474.139 5.746 50 10 JKGE N#CC(=Cc1ccc(N2N=C(c3ccccc3)C[C@@H]2c2ccccc2)cc1)C(=O)Nc1ccc(F)cc1 2314482738 UFZGDMYOMADBJD-SSEXGKCCSA-N 486.550 6.727 50 10 JKGE Brc1ccc(OCc2ccccc2)c([C@H](Br)[C@@H]2CCCC23CCC3)c1 2314502334 HWSIIMQSUVFNMO-FPOVZHCZSA-N 464.241 7.435 50 10 JKGE COc1ccccc1NC(=O)C(C#N)=Cc1c(Oc2ccc(Cl)cc2)nc2c(C)cccn2c1=O 2314533112 ORXLMDBKVIFPRF-UHFFFAOYSA-N 486.915 5.003 50 10 JKGE Cc1ccc(N2C(=O)[C@@H](Cc3cccc(Cl)c3)SC2=C(C#N)C(=O)NCc2ccco2)cc1C 2314593623 QBFIXXSEVHEOCI-HSZRJFAPSA-N 492.000 5.293 50 10 JKGE CCCOc1ccc(C=C(C#N)C(=O)Nc2ccc(-c3nc4ccc(C)cc4s3)cc2)cc1 2314736369 GVXGILCNTBEYMU-UHFFFAOYSA-N 453.567 6.606 50 10 JKGE COc1cc(Br)c([C@H](Br)c2cnsc2Br)cc1C 2315642599 LIAOQDQGMWPPJD-NSHDSACASA-N 455.997 5.469 50 10 JKGE Cc1nc(-c2ccc(Cl)cc2Cl)ccc1C(=O)NN=Cc1ccc(Cl)cc1Cl 2321242205 PNQZMKOLMNQGOE-UHFFFAOYSA-N 453.156 6.435 50 10 JKGE O=C1C(=Cc2ccccc2Br)Oc2cc(OCc3ccc(CCl)cc3)ccc21 2325339443 UCUOHHNCNSUGRZ-UHFFFAOYSA-N 455.735 6.383 50 10 JKGE N#CC(=CNC1CCCCCCCCCCC1)C(=O)Nc1ccc(Cl)c(C(F)(F)F)c1 2325382975 VRNQUUPNPQWHMD-UHFFFAOYSA-N 455.952 6.968 50 10 JKGE N#CC(=CNc1ccccc1Sc1ccccc1)C(=O)N1CCN(Cc2ccccc2)CC1 2325448666 WHQDALIKSHDDGL-UHFFFAOYSA-N 454.599 5.002 50 10 JKGE CCOC(=O)c1c(-c2ccc([N+](=O)[O-])cc2)csc1NC(=O)C(C#N)=Cc1ccc(OC)cc1 2329622210 SJFQDLJHDNJLIP-UHFFFAOYSA-N 477.498 5.054 50 10 JKGE COc1ccc(-c2csc(C(C#N)=C(O)Cc3ccc(Br)cc3)n2)cc1OC 2331241549 VZQPRWNLQWLTLH-UHFFFAOYSA-N 457.349 5.625 50 10 JKGE CCc1cccc(CC)c1N1C[C@H](C(O)=C(C#N)c2nc(-c3ccc(OC)cc3)cs2)CC1=O 2331273588 SHJUNLDCLSFEOY-HXUWFJFHSA-N 473.598 5.789 50 10 JKGE CCOc1ccc(C=CC(O)=C(C#N)c2nc(-c3cccc(Br)c3)cs2)cc1 2331278746 FHRGKKCOKRRFMP-UHFFFAOYSA-N 453.361 6.477 50 10 JKGE CC(C)c1ccc(-c2csc(C(C#N)=C(O)CN3C(=O)COc4ccc(Cl)cc43)n2)cc1 2331342914 FXOREYQNRIOMMH-UHFFFAOYSA-N 465.962 5.805 50 10 JKGE COc1c(Cl)cc(Cl)cc1-c1csc(C(C#N)=C(O)c2ccc(C(C)(C)C)cc2)n1 2331363980 BJJRHPHTZZXSDR-UHFFFAOYSA-N 459.398 7.373 50 10 JKGE COc1ccc(-c2csc(C(C#N)=C(O)[C@@H]3CC(=O)N([C@H](C)c4ccccc4)C3)n2)c2ccccc12 2331406483 QRQCLHSSSLMYIV-UYAOXDASSA-N 495.604 6.374 50 10 JKGE COc1ccc(-c2csc(C(C#N)=C(O)[C@H](C)Oc3ccc(C(C)C)cc3)n2)c(OC)c1OC 2331412954 VYPVSIWJGSADFT-INIZCTEOSA-N 480.586 6.219 50 10 JKGE CCOc1c(Br)cc(C=C(C#N)c2nc(-c3ccc(C)cc3)cs2)cc1OC 2331444036 DIVNXWVHSABULK-UHFFFAOYSA-N 455.377 6.353 50 10 JKGE CCCOc1c(Br)cc(C=C(C#N)c2nc(-c3ccc(C(C)C)cc3)cs2)cc1OC 2331456636 NQFPBLWRFQJKAN-UHFFFAOYSA-N 497.458 7.558 50 10 JKGE COc1cc(OC)c(OC)cc1C=C(C#N)c1nc(-c2cc(C(C)(C)C)ccc2OC)cs1 2331462797 RDRITCRHTIHSFP-UHFFFAOYSA-N 464.587 6.206 50 10 JKGE CCOc1cc(C=C(C#N)c2nc(-c3ccc(F)c(F)c3)cs2)ccc1OCc1ccccc1 2331464109 YYWSVHCWMSMCQG-UHFFFAOYSA-N 474.532 7.130 50 10 JKGE COc1cc(C)c(-c2csc(C(C#N)=Cc3cc(OC)c(O)c(OC)c3)n2)cc1C(C)C 2331464314 YDLIHUMAETXXIM-UHFFFAOYSA-N 450.560 6.038 50 10 JKGE CCCOc1ccc(C=C(C#N)c2nc(-c3ccc(OC)cc3OC)cs2)cc1OCC 2331473074 DGBVXPWFFMAUBA-UHFFFAOYSA-N 450.560 6.079 50 10 JKGE CCCCCOc1ccc(C=C(C#N)c2nc(-c3ccc(OCC)cc3OCC)cs2)cc1OC 2331474055 ZUNBJCKJRQXVSK-UHFFFAOYSA-N 492.641 7.249 50 10 JKGE COc1ccc([C@@H](Cl)c2ccc(OCc3ccccc3)cc2Br)c(Br)c1 2336084796 WXHRIYLIJXJDPJ-OAQYLSRUSA-N 496.626 7.127 50 10 JKGE CCCc1sc(Br)cc1[C@@H](Br)c1ccc(Br)cc1Cl 2338022995 BLHDXRWJMWKHSN-AWEZNQCLSA-N 487.482 7.363 50 10 JKGE Clc1cc(I)c([C@@H](Br)C2CC3(C2)CC2(CCC2)C3)s1 2338777324 AWFCRNNSJRTJQI-LBPRGKRZSA-N 471.629 6.803 50 10 JKGE COc1c(Br)cc(C)c([C@H](Br)C(F)(F)C2CC2)c1Br 2339675166 POGWWTDTDINNHJ-LBPRGKRZSA-N 462.954 6.010 50 10 JKGE CCCc1sc(Br)cc1[C@@H](Cl)c1ccc(Cl)cc1I 2340068975 UEOLBWKFZFCEOF-AWEZNQCLSA-N 490.031 7.049 50 10 JKGE C[C@@H](c1ccncc1F)[C@@H](Br)c1c(Br)cccc1Br 2344699242 QUERLBFKOSLPTC-RMLUDKJBSA-N 451.959 5.985 50 10 JKGE Clc1ccc(I)cc1CN1[C@H]2CC[C@H]1CC(CBr)C2 2352411905 PRKJKHKHQMIZBI-KBPBESRZSA-N 454.577 5.083 50 10 JKGE CC(C)(C)OC(=O)NCCCN(C(=O)C(C)(C)CCCl)c1cccc(Br)c1 2362223431 JAKBSLJGHYCJPI-UHFFFAOYSA-N 461.828 5.352 50 10 JKGE Fc1c(Br)cc(Cl)c([C@@H](Cl)C2(CC(F)F)CCC2)c1Br 2362229379 SONVNYFBBDURLC-GFCCVEGCSA-N 454.939 7.110 50 10 JKGE Cc1cccc([C@H](Br)c2c(Cl)cc(Br)c(F)c2Br)c1C 2362230912 SYXYKTNBMLJNOS-ZDUSSCGKSA-N 485.416 7.105 50 10 JKGE C[C@@]12CC[C@@]([C@@H](Br)c3c(Cl)cc(Br)c(F)c3Br)(CO1)C2 2362240526 PRNOYDJBTPFIFL-IHRRRGAJSA-N 491.420 6.399 50 10 JKGE COc1c(Br)cc(C)c([C@H](Br)CC2(OC)CCC2)c1Br 2365188573 MOHGZZNEODWDRZ-LLVKDONJSA-N 471.027 5.924 50 10 JKGE Cc1cc(Br)c(F)c(Br)c1[C@H](Cl)c1cccc(Br)c1F 2365189297 SYELKAOGQLEKBN-GFCCVEGCSA-N 489.379 6.889 50 10 JKGE COc1c(Br)cc(C)c([C@H](Br)[C@H]2CC[C@H](OC)C2)c1Br 2365216157 RHHCTAKOWSULFW-OUJBWJOFSA-N 471.027 5.780 50 10 JKGE CCc1ccccc1[C@@H](Br)c1c(C)cc(Br)c(F)c1Br 2365216482 UYXDTPZRWGWLBM-CQSZACIVSA-N 464.998 6.706 50 10 JKGE FC1(F)[C@@H]2CC(CO[C@H](CI)c3ccccc3Br)C[C@H]21 2369978538 UBYBOCWUUTYEKW-YRGRVCCFSA-N 457.096 5.233 50 10 JKGE CN(C)c1ccnc(Oc2cc(I)ccc2Cl)c1CBr 2377526172 CKKFYFQIJHNPNY-UHFFFAOYSA-N 467.532 5.093 50 10 JKGE CC[C@H](Oc1ccccc1[C@H](C)CC)C(=O)NNC(=O)CCC(=O)Nc1ccc(Cl)cc1Cl 10683433 LXPKZWSBZFIXND-QRWLVFNGSA-N 494.419 5.231 50 10 JKGE CCc1cccc(CC)c1N/C(SCc1cccc(OC)c1)=C(/C#N)S(=O)(=O)c1ccccc1 20325451 WROCTITZGSROED-IMVLJIQESA-N 492.666 6.332 50 10 JKGE COc1cc(/C=C(/C#N)c2ccc(Cl)cc2)ccc1OC(=O)[C@@H](C)N1C(=O)c2ccccc2C1=O 31902175 YYONWZPXXAGEFN-YZYPPFLQSA-N 486.911 5.003 50 10 JKGE C[C@H](Oc1ccc(Cl)cc1Cl)C(=O)Oc1cccc(/C=C(/C#N)c2ccccc2F)c1 31902851 AHODCFSVSHWSMW-ZCQLHAAUSA-N 456.300 6.570 50 10 JKGE COc1ccc2nc(Cl)c(/C=C(/C#N)c3nc(O)c4cc(Br)ccc4n3)cc2c1 33389954 ZWNXJOZYVRCDTC-QPEQYQDCSA-N 467.710 5.372 50 10 JKGE COc1ccc2nc(Cl)c(/C=C(/C#N)c3nc(-c4ccc(Br)cc4)cs3)cc2c1 33391346 JKVZUKGQKPHKMR-SXGWCWSVSA-N 482.790 6.847 50 10 JKGE CCCCOc1ccc(-c2nn(-c3ccccc3)cc2/C=C2/C(=O)N(C)C(=O)C(C#N)=C2C)c(C)c1 38602897 DDAGKDSEDIQYPB-PCLIKHOPSA-N 480.568 5.249 50 10 JKGE CCCCOc1cccc(C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@@H]3c2ccccc2OC)c1 38650065 PWNLVWRHSGJNJB-AREMUKBSSA-N 470.525 5.311 50 10 JKGE CCc1ccc(O[C@@H](C)C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@H]3c2cccc(Cl)c2)cc1 38651249 ZBPVKWMQBDMQCI-LMKMVOKYSA-N 474.944 5.493 50 10 JKGE CCCCOc1ccc(C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@@H]3c2ccc(CC)cc2)cc1 38677197 OXKYUWDSVMOSRK-HHHXNRCGSA-N 468.553 5.865 50 10 JKGE CCOc1ccc(-c2nn(-c3ccccc3)cc2/C=C(\C#N)C(=O)Nc2cccc(OC)c2)cc1C 39983469 WRPULUUUMLZDND-CJLVFECKSA-N 478.552 5.801 50 10 JKGE Cc1c(C(=O)Nc2cccc(C(F)(F)F)c2)oc2c1/C(=N/NC(=O)c1ccccc1Cl)CCC2 40812714 QIIDYIBMWMBUQJ-UXHLAJHPSA-N 489.881 5.983 50 10 JKGE Cc1c(C(=O)Nc2ccc(Cl)c(Cl)c2)oc2c1/C(=N/NC(=O)COc1ccccc1)CCC2 40816046 KIXRNNKWPQZACI-TURZUDJPSA-N 486.355 5.383 50 10 JKGE COc1ccccc1NC(=O)c1oc2c(c1C)/C(=N/NC(=O)c1ccc(-c3ccccc3)cc1)CCC2 40822735 JAALPXMENFOVKX-FEZSWGLMSA-N 493.563 5.986 50 10 JKGE CC(C)(C)CC(C)(C)c1ccc(OCC(=O)N/N=C2\C(=O)N(Cc3ccccc3)c3ccccc32)cc1 40846283 XJKGDBAEXILPHN-MDVFONAFSA-N 497.639 5.847 50 10 JKGE COc1cc(/C=C(\C#N)c2ccc(Cl)cc2)ccc1OC(=O)Cc1cccc2ccccc12 40847899 OPKMOOUXFUPHKY-HZHRSRAPSA-N 453.925 6.714 50 10 JKGE COc1cc(/C=C(\C#N)C(=O)NCc2ccccc2)ccc1OC(=O)/C=C/c1ccccc1Cl 40869997 TUIRSHFVJRKLST-ISXBQHCWSA-N 472.928 5.191 50 10 JKGE CC(C)(C)c1cc(Br)ccc1OCC(=O)N/N=C/c1ccc(Cl)c(Cl)c1 40902871 ZXMMAXVNDNLDEY-AUEPDCJTSA-N 458.183 5.583 50 10 JKGE O=C(COc1ccc(-c2ccccc2)cc1Br)N/N=C/c1c(Cl)cccc1Cl 40902891 YGJLPRXYGSCTHP-BRJLIKDPSA-N 478.173 5.952 50 10 JKGE CCOC(=O)/C(C#N)=C/c1cccc(OC(=O)/C=C/c2ccc(OCc3ccccc3)c(OC)c2)c1 40926885 OLRYCKIIOAAAFM-SODNIJEJSA-N 483.520 5.363 50 10 JKGE COC(=O)/C(C#N)=C/c1cccc(OC(=O)COc2ccc(C(C)(C)c3ccccc3)cc2)c1 40934652 QBXSZCWGDSJVJP-LTGZKZEYSA-N 455.510 5.077 50 10 JKGE N#C/C(=C/c1cc(Br)ccc1OCc1cccc(F)c1)C(=O)Nc1cccc(Cl)c1 59117032 YTBIIDOQSLMKBF-YVLHZVERSA-N 485.740 6.366 50 10 JKGE N#C/C(=C/c1cccc(OCc2ccccc2Cl)c1)C(=O)Nc1ccc(Cl)c(Cl)c1 59117486 PXSVQIIVSGMZJB-YVLHZVERSA-N 457.744 6.771 50 10 JKGE CCOc1cc(/C=N/NC(=O)c2cc3ccccc3o2)ccc1OCc1ccc([N+](=O)[O-])cc1 59304219 FBGCCDZPUXJWQD-CVKSISIWSA-N 459.458 5.083 50 10 JKGE O=C(N/N=C(/CSc1nc2ccccc2[nH]1)c1ccc(Br)cc1)c1ccccc1 59460607 JFFAKSGONLBWIV-QOMWVZHYSA-N 465.376 5.252 50 10 JKGE CC(C)(C)[C@@H](CBr)COc1c(Br)cc([N+](=O)[O-])cc1Br 96871370 QFOQCPFYRAQJHO-QMMMGPOBSA-N 473.987 5.556 50 10 JKGE CCc1ccc(N2C(=O)[C@@H](Cc3ccc(C)c(C)c3)S/C2=C(/C#N)C(=O)Nc2ccc(C)cc2)cc1 101245940 ZXDVLRRUMNUWHU-VOEFLUBFSA-N 495.648 6.239 50 10 JKGE CC(=O)c1ccc(-c2ccc(/C=C3/C(=O)N([C@@H](C)c4ccccc4)C(=O)C(C#N)=C3C)o2)cc1 101337813 OLVPJWMTCPFTSC-WORIPGKHSA-N 450.494 5.503 50 10 JKGE COc1ccc(N/C=C(/C#N)c2nc(-c3ccc(Br)cc3)cs2)c([N+](=O)[O-])c1 102418175 XSFYADNRHCLVQP-RAXLEYEMSA-N 457.309 5.466 50 10 JKGE COc1ccc([C@H](Br)c2cccc(I)c2)cc1Br 104034090 OYAMLYOOUJOBLS-CQSZACIVSA-N 481.953 5.547 50 10 JKGE Cc1c(Cl)cccc1N/C(SCC(=O)N1CCCCCC1)=C(\C#N)c1nc2ccccc2s1 105838464 WYRANNNISHRCLQ-MOHJPFBDSA-N 497.089 6.698 50 10 JKGE COc1cc(CBr)cc(Br)c1OCc1cc(Cl)ccc1Cl 115751169 RHYPLCOBWRFGLA-UHFFFAOYSA-N 454.973 6.238 50 10 JKGE COc1c(C)cc(Br)c(C)c1[C@H](Cl)c1ccc(Br)cc1Cl 125617207 ANIPNFAIIONSAI-OAHLLOKOSA-N 453.001 6.819 50 10 JKGE CN1C(=O)CCc2cc([C@@H](Br)c3cc(Br)c(Br)s3)ccc21 128564111 VGGSOMRJSGIMOG-CQSZACIVSA-N 494.046 5.666 50 10 JKGE Cc1ccc([C@@H](Br)c2cc3[nH]c(=O)[nH]c3cc2Br)cc1Br 130472140 WKJZZEWDWYDERM-CQSZACIVSA-N 474.978 5.174 50 10 JKGE C[C@H](Cl)c1nc2cc(I)c(F)cc2n1Cc1sccc1Br 148419054 GKJLODXMNLHQKT-ZETCQYMHSA-N 499.574 5.952 50 10 JKGE O=C(c1cc(Br)cc(Br)c1)N(CCBr)C1CCCCC1 232487240 RUFLYDCAGJHRJB-UHFFFAOYSA-N 468.027 5.381 50 10 JKGE COc1cc(F)c(Br)cc1[C@@H](Br)c1cc(Br)ccc1C 234862202 XOHSZMOIHMGXKO-HNNXBMFYSA-N 466.970 6.152 50 10 JKGE Cc1cccc(OCC(=O)NN=Cc2c(OC(=O)c3cccc(C)c3)ccc3ccccc23)c1 254346793 BGKLEVODZXGULG-UHFFFAOYSA-N 452.510 5.205 50 10 JKGE CC(=NNC(=O)c1cc(-c2ccc(-c3ccccc3)cc2)nc2ccccc12)c1ccc2c(c1)OCO2 254631103 PIYRZKPSLWRCDM-UHFFFAOYSA-N 485.543 6.452 50 10 JKGE N#C/C(=C1/CCCN(C(=O)OCc2ccccc2)C1)c1cccc(I)c1 310010873 KIDIRYHBEKALNZ-CZIZESTLSA-N 458.299 5.001 50 10 JKGE Fc1cc(Oc2ccc(CBr)c(Br)c2)c(Cl)cc1Br 311607526 CVIWKWUZILFRRJ-UHFFFAOYSA-N 473.361 6.691 50 10 JKGE CO[C@H]1CCCC[C@H]1Oc1c(Br)cc(CBr)cc1Br 312056539 FWLALTUVWRWMMW-QWHCGFSZSA-N 457.000 5.443 50 10 JKGE Cc1cc(C)c([C@@H](Br)c2ccc(Br)cc2F)c(C)c1Br 312826500 TVXSYCUUJNPNOF-INIZCTEOSA-N 464.998 6.760 50 10 JKGE C[C@H](Cl)c1nc2cc(I)c(F)cc2n1C(C)(C)CN(C)Cc1ccccc1 379605713 CADFODGQZPHMAS-AWEZNQCLSA-N 499.799 5.947 50 10 JKGE Oc1nc2cc([C@@H](Br)c3ccc(OCc4ccccc4)cc3)c(Br)cc2[nH]1 380763967 YHXDUFUYSFCDPJ-FQEVSTJZSA-N 488.179 6.094 50 10 JKGE Cc1cc(C)c([C@@H](Br)c2ccc(Br)c(F)c2)c(C)c1Br 383612653 SIPWPZZCLKKIAV-INIZCTEOSA-N 464.998 6.760 50 10 JKGE Cc1cc([C@H](Br)c2cc(Cl)ccc2I)c(C)cc1F 386437844 OFIBOYXORAVMSN-HNNXBMFYSA-N 453.520 6.185 50 10 JKGE Clc1cc(Br)ccc1[C@@H](Cl)c1cc(Cl)c(Cl)c(Cl)c1Cl 404894305 YGLQLLFNEXCXQW-SNVBAGLBSA-N 453.805 8.044 50 10 JKGE CC(C)(C)OC(=O)N1C[C@H](c2ccc(CO[Si](C)(C)C(C)(C)C)cc2)Cc2ccccc21 616669288 GNCPRLPEAQSZRC-HSZRJFAPSA-N 453.699 7.290 50 10 JKGE O=C(NC1(CCBr)CCCC1)c1ccc(Br)cc1Br 687278484 BNDXXEZDKVPMNE-UHFFFAOYSA-N 454.000 5.039 50 10 JKGE COCc1cc(Br)c([C@@H](Br)c2cscc2Br)s1 688092337 WOUKEGZYKMEGSH-JTQLQIEISA-N 461.038 5.965 50 10 JKGE Cc1cc([C@@H](Cl)c2scc(Br)c2Br)c(C)cc1Br 705439038 NLKPILZKKGBHEY-GFCCVEGCSA-N 473.455 6.981 50 10 JKGE C[C@H](Cl)c1nc2cccc(Cl)c2n1CC1(N(Cc2ccccc2)Cc2ccccc2)COC1 705607677 AIYZQJZSLJSPTN-FQEVSTJZSA-N 480.439 6.461 50 10 JKGE C[C@H](Cl)c1nc2cc(F)cnc2n1CC1(N(Cc2ccccc2)Cc2ccccc2)COC1 705615318 GBLWEIQADTTZFV-IBGZPJMESA-N 464.972 5.342 50 10 JKGE CC1(C)C[C@@H]([C@H](Br)c2cc(Br)ccc2Br)C(C)(C)O1 710053075 KUYPFQVUHVJCLP-WCQYABFASA-N 455.028 6.241 50 10 JKGE COc1cc(/C=C(/C#N)C(=O)Nc2cc([N+](=O)[O-])ccc2Cl)ccc1OCc1ccccc1F 1083944885 VKDHOXRPINKNRL-YVLHZVERSA-N 481.867 5.521 50 10 JKGE Cc1cc(/C=C(/C#N)C(=O)Nc2cccc(Cl)c2Cl)c(C)n1-c1ccc(-c2ccccc2)cc1 1084238443 WSKVUKJXTCQRHK-KQWNVCNZSA-N 486.402 7.614 50 10 JKGE Cc1ccc(-n2c(C)cc(C=NNC(=O)c3ccc(CN4CCc5ccccc5C4)cc3)c2C)c(C)c1 1084337916 JISQRGGCDBUYJF-UHFFFAOYSA-N 490.651 6.033 50 10 JKGE Cc1ccc(COc2ccc(C=NNC(=O)CC[C@@H](O)c3ccccc3)cc2Br)cc1 1084396461 GKEZKERUPYDMQG-HSZRJFAPSA-N 481.390 5.300 50 10 JKGE Cc1cccc(NCCCC(=O)NN=C(Cc2ccccc2)c2ccc(-c3ccccc3)cc2)c1 1084513964 XRUXKYNANCUMBU-UHFFFAOYSA-N 461.609 6.617 50 10 JKGE COc1cc(/C=C(/C#N)C(=O)Nc2ccc(Cl)c(Cl)c2)ccc1OCc1ccc(F)cc1 1084560647 YMGJNTGESQZJGX-YVLHZVERSA-N 471.315 6.266 50 10 JKGE C=CCc1cc(C=NNC(=O)c2cc3ccccc3o2)cc(Br)c1OCc1ccccc1 1084643346 JQGVBCNOGBMGGR-UHFFFAOYSA-N 489.369 6.267 50 10 JKGE COc1cccc(C(=O)NN=C2CCCc3oc(C(=O)Nc4ccc(Cl)cc4Cl)c(C)c32)c1 1772749847 QCYCRVISYIQINH-UHFFFAOYSA-N 486.355 5.626 50 10 JKGE CCCOc1c(Br)cc([C@@H]2C(C#N)=C(N)Oc3c2c(CCC)nn3CCC)cc1OC 1865691089 IWWPXHROVNUTTQ-LJQANCHMSA-N 489.414 5.024 50 10 JKGE CCCOc1cccc([C@@H]2C(C#N)=C(N)Oc3c2c(C(F)(F)F)nn3Cc2ccccc2Cl)c1 1865693315 IVGYVLQTQZFNIO-LJQANCHMSA-N 488.897 5.611 50 10 JKGE CCCc1nn(Cc2ccc(Cl)cc2)c2c1[C@@H](c1cc(Br)ccc1O)C(C#N)=C(N)O2 1865696826 RCPXHNXIQOENHK-FQEVSTJZSA-N 499.796 5.224 50 10 JKGE COc1cccc([C@H]2C(C#N)=C(N)Oc3c2c(C(F)(F)F)nn3-c2cccc3ccccc23)c1OC 1865700652 AICFKXZZHLRENG-FQEVSTJZSA-N 492.457 5.280 50 10 JKGE COc1ccc(-c2nn(Cc3ccc(C)cc3)c3c2[C@H](c2cccc(F)c2)C(C#N)=C(N)O3)cc1 1865710813 JFGFWVHEKXXHJV-XMMPIXPASA-N 466.516 5.273 50 10 JKGE CCCc1nn(-c2ccc(OC)cc2)c2c1[C@H](c1ccc(C(F)(F)F)cc1)C(C#N)=C(N)O2 1865711025 OENYPWNNFOMJKZ-HXUWFJFHSA-N 454.452 5.070 50 10 JKGE CCOc1ccc([C@H](CC(=O)NCC(=O)Nc2ccc(SC#N)cc2)c2ccc(Cl)cc2)cc1 1868166811 ZRPSBTVEELWWJQ-XMMPIXPASA-N 494.016 5.589 50 10 JKGE C[C@@H]1CN(c2cc(Nc3ccc(SC#N)cc3)nc(-c3ccc(C(C)(C)C)cc3)n2)CCO1 1868545163 TURHRPGAYYNAFE-GOSISDBHSA-N 459.619 5.983 50 10 JKGE COc1cc(/C(O)=C(\C#N)c2nc(-c3ccc(Br)cc3)cs2)cc(OC)c1OC 1872746807 ZBVBQNUMTDLKRN-CYVLTUHYSA-N 473.348 5.548 50 10 JKGE CCCOc1ccc(-c2csc(/C(C#N)=C(\O)Cc3ccc(Br)cc3)n2)cc1 1872749221 HIZKWWAMBAZTIM-VZCXRCSSSA-N 455.377 6.397 50 10 JKGE CCOC(=O)c1ccc(N2C[C@H](/C(O)=C(\C#N)c3nc(-c4cc(C)ccc4C)cs3)CC2=O)cc1 1872749768 HWFMZJBLXONSCZ-IPQBESIJSA-N 487.581 5.449 50 10 JKGE COc1ccc(-c2csc(/C(C#N)=C(\O)[C@H](CC(C)C)N3C(=O)c4ccccc4C3=O)n2)cc1F 1872752719 PISUDNFOMVHJDL-ABCSWIFBSA-N 491.544 5.461 50 10 JKGE COc1c(Cl)cc(Cl)cc1-c1csc(/C(C#N)=C(O)/C=C/c2ccc(Cl)cc2Cl)n1 1872754474 UYAQNFKUSQOWTP-FXAQFNCTSA-N 498.218 7.938 50 10 JKGE COc1c(Cl)cc(-c2csc(/C(C#N)=C(\O)[C@@H]3CC(=O)N(C(C)(C)C)C3)n2)cc1Cl 1872755810 HKUXRRRCTFWNEE-XKORNODESA-N 466.390 5.565 50 10 JKGE COc1ccc(Cl)cc1-c1csc(/C(C#N)=C(\O)c2c(Cl)ccc(Cl)c2Cl)n1 1872758467 BHACERTUEDOMDO-WQRHYEAKSA-N 472.180 7.382 50 10 JKGE CCOc1c(Br)cc(/C=C(\C#N)c2nc(-c3ccccc3Cl)cs2)cc1OC 1872780806 MJQAQEQBWOFOAO-RIYZIHGNSA-N 475.795 6.697 50 10 JKGE CCCOc1ccc(-c2csc(/C(C#N)=C(\O)COc3ccc(C)cc3C)n2)cc1OCCC 1872818283 VPNUYYBJLFAEGR-LNVKXUELSA-N 478.614 6.876 50 10 JKGE Cl[C@H](c1ccc(OCc2ccccc2)cc1Br)c1csnc1Br 1899849557 NNHPRYQTEPBJPW-MRXNPFEDSA-N 473.617 6.575 50 10 JKGE BrCC1(Cc2ccc(I)c(Br)c2)CCCC1 1904338772 NAYLDKQMMFKZLA-UHFFFAOYSA-N 457.975 5.552 50 10 JKGE COc1ccc(C(=O)N(Cc2ccccc2)[C@H](C)CCBr)cc1Br 1915080190 JKTNNCWMPYLJPR-CQSZACIVSA-N 455.190 5.274 50 10 JKGE CC[C@H](Br)CN(Cc1ccccc1)c1ccccc1S(=O)(=O)C(F)(F)F 1915084678 UYJLJKIYGNXAHZ-HNNXBMFYSA-N 450.320 5.160 50 10 JKGE CC(C)[C@H](CBr)N(Cc1ccccc1)C(=O)c1cccc(I)c1 1915289267 RHOMBOXZONYXNJ-SFHVURJKSA-N 486.191 5.353 50 10 JKGE Cc1c(Br)sc([C@@H](Br)C(C)(C)[C@@H]2CCCO2)c1Br 1922932689 OECGSYFKQDTTAJ-GZMMTYOYSA-N 461.057 6.223 50 10 JKGE CC(C)([C@H](Br)c1c(Br)sc(Br)c1Cl)C(F)(F)F 1923040742 WMZHKCZQTNQKFS-RXMQYKEDSA-N 479.381 6.951 50 10 JKGE CC1(C)[C@H]2CC[C@@H](C2)[C@H]1[C@H](Br)c1c(Br)sc(Br)c1Cl 1923068792 WLMRHZFGOQJQLH-ZRUAGYDASA-N 491.514 7.435 50 10 JKGE Clc1cc(Cl)cc([C@H](Br)c2c(Cl)sc(Br)c2Cl)c1 1925588792 QJVXOAKMPHQOQG-QMMMGPOBSA-N 469.840 7.609 50 10 JKGE Cc1sc([C@@H](Cl)c2cccc(Br)c2Br)cc1Br 1943902093 BDDKFCCGBNJYND-LBPRGKRZSA-N 459.428 6.672 50 10 JKGE Brc1ccsc1[C@@H](Br)c1cc(C2CC2)c(Br)s1 1945804940 ZXLVDKJJLSBZHE-JTQLQIEISA-N 457.050 6.696 50 10 JKGE C[C@H]1CN(c2ccc(CBr)cc2Br)[C@@H](C)CN1Cc1ccccc1 1946783275 NXHXNTMHXGBUBT-HOTGVXAUSA-N 452.234 5.443 50 10 JKGE CC(C)[C@@H]1C[C@@H]1[C@@H](Br)c1c(Br)sc(Br)c1Cl 1992944505 LILTZXWAPCATPU-VMHSAVOQSA-N 451.449 6.655 50 10 JKGE Brc1ccc([C@@H](Br)Cc2ccncc2)c(I)c1 2026222469 YUJXCNTWBRHAKX-LBPRGKRZSA-N 466.942 5.127 50 10 JKGE Cl[C@@H](c1c(Br)sc(Br)c1Br)[C@H]1CC12CCCCC2 2039005974 MEECQGKDXONFRO-GMSGAONNSA-N 477.487 7.286 50 10 JKGE Cc1cc([C@H](Cl)c2cc(Br)c(C)cc2Br)c(Br)s1 2039504442 ZBLRLNNDITWIAJ-GFCCVEGCSA-N 473.455 6.981 50 10 JKGE CCOc1cc(C=C(C#N)c2ccccn2)ccc1OCC(=O)N1C[C@@]2(C)C[C@H]1CC(C)(C)C2 2042445977 KKYLSUGHMCHASF-DFHRPNOPSA-N 459.590 5.350 50 10 JKGE Cn1ncc2cc([C@@H](Br)c3sc(Br)cc3Br)sc21 2054799841 IMNZZFMCRPREII-SECBINFHSA-N 471.037 5.706 50 10 JKGE FC(F)(F)c1csc([C@H](Cl)c2cc(I)sn2)c1Br 2056486854 FUQSHRYWJHWOKK-SSDOTTSWSA-N 488.519 5.919 50 10 JKGE Fc1cc([C@@H](Cl)Cc2ccccc2I)c(F)cc1Br 2087569817 KXDODCRHJOPMPA-NSHDSACASA-N 457.483 5.855 50 10 JKGE ClCc1cccc(OCc2ccc(Br)cc2Br)c1Br 2092268331 WRPDDOGSQVWNGW-UHFFFAOYSA-N 469.398 6.292 50 10 JKGE BrCc1cc(Br)cc(Br)c1OC[C@@H]1CC12CCCC2 2109401503 AWQJINCFDYUZOM-NSHDSACASA-N 453.012 6.066 50 10 JKGE Clc1cc(Br)cc(C[C@H](CBr)c2ccccc2Br)c1 2110524204 PPCABAXXYFHNDU-LLVKDONJSA-N 467.426 6.586 50 10 JKGE FC(F)(F)C1([C@@H](Br)c2cc(Br)ccc2Br)CCCC1 2116584455 RDZIMQHFCYVNSO-NSHDSACASA-N 464.945 6.770 50 10 JKGE CC1(C)CCCC[C@@]1(CBr)Cc1cc(Br)ccc1Br 2118527611 MLHWFOCZZGMGEY-INIZCTEOSA-N 453.056 6.736 50 10 JKGE C[C@H]1OC2(COc3c(Br)cc(Br)cc3CBr)CC1C2 2132483416 CYOMNDZOTZLWBQ-CCMBEOLZSA-N 454.984 5.053 50 10 JKGE Fc1cccc(C[C@@H](CBr)Cc2ccc(Br)cc2Br)c1 2148679782 AGKNZHNKHDZYIO-GFCCVEGCSA-N 464.998 6.147 50 10 JKGE CC1(C)C[C@@H](Br)C[C@H](NC(=O)c2c(Br)cccc2Br)C1 2150492584 BNKAPKBFQVKQQA-UWVGGRQHSA-N 468.027 5.284 50 10 JKGE C[C@]1(C2CC2)CN(c2cc(CBr)sc2[N+](=O)[O-])CCN1Cc1ccccc1 2151088616 FZHMVQGVDQVOHF-HXUWFJFHSA-N 450.402 5.042 50 10 JKGE C[C@H]1Cc2cc([C@@H](Br)c3scc(Cl)c3Cl)cc(Br)c2O1 2152528474 VJWFPJLKSRLRMR-UPONEAKYSA-N 457.014 6.625 50 10 JKGE Fc1cc(Cl)c(Br)cc1[C@@H](Br)c1csc(C(F)(F)F)c1 2154108527 JZJDGPLHOKBUEV-NSHDSACASA-N 452.492 6.806 50 10 JKGE ClCc1ccc(Br)c(Cl)c1N1CCC[C@H]1[C@@H]1CCN(Cc2ccccc2)C1 2154375679 KSCAWVUCPRMHFY-QUCCMNQESA-N 468.266 6.332 50 10 JKGE COc1ccc([C@H](Br)c2nc(C)sc2Br)c(OC)c1Br 2169496313 RDKKRPARJCPAGQ-VIFPVBQESA-N 486.023 5.478 50 10 JKGE CCCOc1ccc(S(=O)(=O)N(Cc2ccccc2)[C@@H](C)CC)cc1CBr 2179826462 SGHICMXVLPGJFV-KRWDZBQOSA-N 454.430 5.360 50 10 JKGE Cc1cc(Br)c(C)c([C@H](Br)[C@@H]2[C@H]3[C@H]4CC[C@@H](C4)[C@H]32)c1Br 2201073146 LVWHBOXWPIHJEB-ZPUPMGOUSA-N 463.051 6.557 50 10 JKGE COc1ccc([C@@H](Br)c2scc(Br)c2C)c(Br)c1 2218994036 IKCZKYFIWNJXIK-GFCCVEGCSA-N 455.009 6.074 50 10 JKGE CCOCc1cc(Br)c([C@@H](Br)c2cc(C)c(Br)s2)s1 2224785080 ZUGOITKAEBQQFN-NSHDSACASA-N 489.092 6.664 50 10 JKGE Cc1cc(Br)c(C)c([C@H](Br)[C@H]2CCC[C@@H](C)O2)c1Br 2226869406 WSRFJVYKMOJASE-DDHOLCJHSA-N 455.028 6.222 50 10 JKGE CCN[C@@H](c1c(Br)cc(C)c(Br)c1C)[C@H]1C[C@@H](Br)C1 2227346390 CVBKZMTZERMUNK-JRPNMDOOSA-N 454.044 5.653 50 10 JKGE Cc1cc(Br)c([C@H](Br)CC[C@@H]2CCCO2)c(C)c1Br 2227348653 ONQVPULQCRUJOE-NWDGAFQWSA-N 455.028 6.224 50 10 JKGE Brc1csc([C@H](Br)c2ccc([C@@H]3CCOC3)s2)c1Br 2231750862 UIPPWSDLBLCARI-JMCQJSRRSA-N 487.076 6.323 50 10 JKGE Brc1csc([C@@H](Br)c2ccc([C@H]3CCOC3)s2)c1Br 2231750865 UIPPWSDLBLCARI-MADCSZMMSA-N 487.076 6.323 50 10 JKGE Fc1ccc(C[C@@H](Br)c2c(Br)cc(Cl)c(Cl)c2Cl)cc1 2232512580 OENLJMWHOYXJKE-SECBINFHSA-N 461.383 7.227 50 10 JKGE C[C@@H](Cl)c1nc2c(Br)cc(F)cc2n1C[C@H]1CC1(Br)Br 2233037138 AHBCPHYXQOGNEV-RNFRBKRXSA-N 489.408 5.744 50 10 JKGE COc1ccc([C@H](Br)c2scc(Br)c2Br)cc1C(C)C 2233131335 XYLWAJMNBNWHRP-ZDUSSCGKSA-N 483.063 6.889 50 10 JKGE CC(C)(C)OC(=O)N1CCC[C@@](CBr)(OCc2ccc(Br)cc2F)C1 2255295171 HPZAMYHGSYISPC-SFHVURJKSA-N 481.200 5.269 50 10 JKGE Cc1c(Br)sc([C@H](Br)C2CC3(CC(C)C3)C2)c1Br 2259481584 VSVPFMITBGWODT-OHFZKVSYSA-N 457.069 6.844 50 10 JKGE COc1cc(C[C@@H](Br)c2cccc(Br)c2)sc1Br 2263737430 XGZSDGNJAHSGPJ-LLVKDONJSA-N 455.009 5.960 50 10 JKGE Cc1cc(Cl)c(Br)cc1[C@H](Cl)c1ccc(Cl)c(I)c1 2268269582 DWNMWFLGZOBBAU-CQSZACIVSA-N 490.393 6.997 50 10 JKGE Clc1ccc([C@H](Br)c2ccc(CC3CC3)s2)cc1I 2268286817 COTBUKSWBMHILD-HNNXBMFYSA-N 467.597 6.443 50 10 JKGE COc1c([C@@H](Br)c2cc(Br)c(C)cc2Br)csc1Cl 2268950128 LZDFJRSYXUWZBJ-NSHDSACASA-N 489.454 6.728 50 10 JKGE CC(C)(F)[C@](C)(F)[C@@H](Br)c1c(F)cc(Br)c(F)c1Br 2272726035 IVKPJNSFMPITNN-CMPLNLGQSA-N 470.924 6.402 50 10 JKGE C[C@@H]1OCC[C@@H]1C[C@H](Br)c1c(F)cc(Br)c(F)c1Br 2272747744 NNSNIXUAYAAZET-RNJXMRFFSA-N 462.954 5.741 50 10 JKGE COC1(C[C@H](Br)Cc2cc(Br)cc(Br)c2)CCCC1 2277955922 LXGQMUPTIAHMDY-CQSZACIVSA-N 455.028 5.867 50 10 JKGE Clc1ccc(I)c(CN2C[C@H](Br)C[C@@H]3CCCC[C@H]32)c1 2279525494 XAANSFPDGILPSI-NORZTCDRSA-N 468.604 5.473 50 10 JKGE COc1ccc([C@@H](Br)Cc2c(F)cccc2Cl)cc1I 2284997310 FQQPITSEJCYBFX-NSHDSACASA-N 469.519 5.771 50 10 JKGE N[C@H](c1c(Cl)cc(Br)c(F)c1Br)[C@H]1C[C@H](Br)C1 2300182519 GUNCYNDKNGTRPW-ANYMCVJYSA-N 450.371 5.177 50 10 JKGE Clc1ccc([C@@H](Cl)c2cc(Cl)c(Br)s2)c(I)c1 2301796041 IKIVOJCPZSJFDV-SNVBAGLBSA-N 482.395 6.750 50 10 JKGE CC1(C)CC[C@@H](CO[C@]2(CI)CCCN(C(=O)OC(C)(C)C)C2)C1 2302680118 SJUGHBFQOJTJSL-BEFAXECRSA-N 451.389 5.034 50 10 JKGE Cc1cc(C=C(C#N)C(=O)NCc2cccs2)c(C)n1-c1ccc(OCc2ccc(C#N)cc2)cc1 2313540687 OQRXYZNSFKMSIA-UHFFFAOYSA-N 492.604 5.830 50 10 JKGE Cc1cc(C=C(C#N)C(=O)N2CCN(c3ccccc3)CC2)c(C)n1-c1ccc(Cl)cc1Cl 2313567523 KYYKSYBZMUIPDR-UHFFFAOYSA-N 479.411 5.657 50 10 JKGE COc1cc(C=C(C#N)C(=O)Nc2ccc(Cl)c(Cl)c2)cc(Br)c1OC(C)=O 2313631904 YPPOKLZIELDBAD-UHFFFAOYSA-N 484.133 5.235 50 10 JKGE N#CC(=Cc1ccc(OCc2c(Cl)cccc2Cl)cc1)C(=O)Nc1cccc([N+](=O)[O-])c1 2313670616 KVUIWNFDGATUKU-UHFFFAOYSA-N 468.296 6.026 50 10 JKGE Cc1cc(Br)c(F)c(Br)c1[C@@H](Br)c1sccc1F 2317394772 AZMZIGWJSWKEJN-SNVBAGLBSA-N 460.963 6.344 50 10 JKGE Cc1nc(OCc2ccc(Cl)cc2I)sc1CBr 2317812230 PNERJWHUOGZSOY-UHFFFAOYSA-N 458.546 5.183 50 10 JKGE C[C@@H]1CC[C@@H](CBr)N(Cc2ccc(I)c(Br)c2)C1 2325223441 XUPUERATPWFUQS-PWSUYJOCSA-N 487.017 5.049 50 10 JKGE CCCOc1ccc(-c2csc(NC(=O)C(C#N)=Cc3ccc(F)cc3)c2C(=O)OCC)cc1 2329639431 TYQJPTGDBRNITD-UHFFFAOYSA-N 478.545 6.065 50 10 JKGE COc1cc(C=C(C#N)c2nc3ccc(C)cc3[nH]2)ccc1OCc1c(Cl)ccc(Cl)c1Cl 2331018331 MGFCQECUHWUVDI-UHFFFAOYSA-N 498.797 7.483 50 10 JKGE CCOC(=O)c1ccc(N2C[C@H](C(O)=C(C#N)c3nc(-c4ccc(CC)cc4)cs3)CC2=O)cc1 2331245689 JURCRPDRZOBMOA-HXUWFJFHSA-N 487.581 5.395 50 10 JKGE COc1cc(C=CC(O)=C(C#N)c2nc(-c3ccc4c(c3)OCCO4)cs2)cc(OC)c1OC 2331331080 SAXJPDOMVOMSQI-UHFFFAOYSA-N 478.526 5.113 50 10 JKGE N#CC(=C(O)c1cc(C(F)(F)F)cc(C(F)(F)F)c1)c1nc(-c2c[nH]c3ccccc23)cs1 2331348736 PZGFSVWQFHYADZ-UHFFFAOYSA-N 479.405 7.279 50 10 JKGE COc1c(Cl)cc(-c2csc(C(C#N)=C(O)c3ccc(OCC(C)C)cc3)n2)cc1Cl 2331397469 GSKHBHUTGJGOJP-UHFFFAOYSA-N 475.397 7.110 50 10 JKGE CCCCCOc1ccc(C=C(C#N)c2nc(-c3ccc(OC)c(F)c3)cs2)cc1OC 2331455688 HPSYMZNXRYCZSU-UHFFFAOYSA-N 452.551 6.600 50 10 JKGE CCCc1sc(Br)cc1[C@@H](Br)c1cccc(Cl)c1Br 2338031970 RDXZTMFBDMHIOZ-ZDUSSCGKSA-N 487.482 7.363 50 10 JKGE Cc1cc(Br)c(F)c(Br)c1[C@H](Cl)c1ccccc1Br 2339652212 XCUHIFKEOLPMCK-CYBMUJFWSA-N 471.389 6.750 50 10 JKGE COc1c(Br)cc(C)c([C@H](Br)C2(C(F)F)CC2)c1Br 2339689207 CEGPOBNHQWIMEP-NSHDSACASA-N 462.954 6.010 50 10 JKGE Fc1cccc(OCc2cc(I)ccc2Br)c1CCl 2341779325 IXIZWFAXPFZASO-UHFFFAOYSA-N 455.492 5.511 50 10 JKGE CC(C)(CI)CN1CC[C@@H](CCNC(=O)OC(C)(C)C)C[C@@H]1C(F)(F)F 2351614979 ZBLCOAAOCAKSNJ-ZIAGYGMSSA-N 492.364 5.005 50 10 JKGE Clc1ccc(I)cc1CO[C@@H](CI)c1ccccc1 2352254574 YQSOCZIDCQOJLJ-HNNXBMFYSA-N 498.529 5.638 50 10 JKGE C[C@@](CI)(O[C@H]1CC[C@@H]2[C@H]1C2(F)F)c1ccccc1Br 2358842735 JULYOXXQHFJABL-CABNGKKXSA-N 457.096 5.160 50 10 JKGE Cc1cc(Br)c([C@@H](Br)[C@@H]2OCC[C@H]2C(F)(F)F)cc1Br 2358937579 WYOCZHJTBSMOEJ-GGZOMVNGSA-N 480.944 5.923 50 10 JKGE Brc1cc(OCc2ccccc2)ccc1[C@H](Br)[C@H]1COc2ccccc2O1 2361200824 MZXNIMXKZNWRBY-YADHBBJMSA-N 490.191 6.304 50 10 JKGE Fc1c(Br)cc(Cl)c([C@H](Cl)Cc2cccc(Cl)c2)c1Br 2362227097 ZWMSEFIDCRKOGJ-SNVBAGLBSA-N 461.383 7.180 50 10 JKGE BrC[C@@H](COCc1cc(Br)cc(Br)c1)c1ccccc1 2362234856 FTFCGHKQIYPLOL-AWEZNQCLSA-N 463.007 5.907 50 10 JKGE COc1c(Br)cc(C)c([C@H](Br)[C@@H]2CC[C@H]3C[C@H]3C2)c1Br 2365235015 KMAXLZNMOGEHJZ-BBGACYKPSA-N 467.039 6.401 50 10 JKGE C[C@@H]1CC[C@H](C(C)(C)Cc2cc(I)ccc2Cl)[C@@H](Br)C1 2380530117 YLRZXSBQUGZZRP-UGFHNGPFSA-N 469.632 6.713 50 10 JKGE Cn1nc(C(F)(F)F)cc1-c1ccc(/C=C(/C#N)C(=O)c2cccc(C(F)(F)F)c2)s1 12367133 HWXULOIATIKACA-WQLSENKSSA-N 455.383 5.976 50 10 JKGE Cc1cccc(NC(=O)/C(C#N)=C\c2ccc(N3N=C(c4ccccc4)C[C@H]3c3ccccc3)cc2)c1 33568744 HFKWCVRRSKOJEH-HFROPGRFSA-N 482.587 6.896 50 10 JKGE Cc1cc(/C=C(/C#N)C(=O)Nc2ccc3ccccc3c2)c(C)n1-c1ccc(Br)cc1 34798885 GCMDOYFBCWFOHF-HMAPJEAMSA-N 470.370 6.556 50 10 JKGE COC(=O)c1c(NC(=O)/C(C#N)=C\c2ccc(-c3cccc([N+](=O)[O-])c3)o2)sc2c1CCCC2 35059149 JJTVNYFZMDKJDW-QINSGFPZSA-N 477.498 5.127 50 10 JKGE CCCOc1cccc(-c2nn(-c3ccccc3)cc2/C=C(\C#N)C(=O)NCc2ccco2)c1 35446592 MUSWSSGRJZMDLQ-RCCKNPSSSA-N 452.514 5.144 50 10 JKGE CCCCOc1ccccc1[C@H]1C(C#N)=C(N)Oc2cc(OC(=O)c3ccc(OCCC)cc3)ccc21 38682874 WZVGBBCNFFZMDE-MUUNZHRXSA-N 498.579 6.092 50 10 JKGE O=C(NNc1ncnc(Sc2ccc(Cl)cc2)c1[N+](=O)[O-])C(c1ccccc1)c1ccccc1 40607752 FMZNHSVBJWKSFX-UHFFFAOYSA-N 491.960 5.465 50 10 JKGE Cc1c(C(=O)NC2CCCC2)oc2c1/C(=N/NC(=O)C(c1ccccc1)c1ccccc1)CCC2 40815391 NUAVVVCEODTNDI-UQRQXUALSA-N 469.585 5.249 50 10 JKGE Cc1c(C(=O)Nc2cccnc2)oc2c1/C(=N/NC(=O)C(c1ccccc1)c1ccccc1)CCC2 40815527 QSHGOZKXHBLARO-AWSUPERCSA-N 478.552 5.224 50 10 JKGE Cc1c(C(=O)Nc2ccc(C(C)C)cc2)oc2c1/C(=N/NC(=O)COc1ccccc1)CCC2 40816053 XCPKZVVZJFBVGI-QUPMIFSKSA-N 459.546 5.199 50 10 JKGE Cc1ccccc1COc1ccccc1/C=N/NC(=O)CSc1nnc(-c2ccccc2)s1 40947840 OIUMCDHAGPNCAB-CVKSISIWSA-N 474.611 5.335 50 10 JKGE CCc1ccc(-c2csc(NC(=O)/C(C#N)=C/c3ccc(C(C)C)cc3)c2C(=O)OC)cc1 41013189 FHJCJCRZZWROBM-HYARGMPZSA-N 458.583 6.433 50 10 JKGE O=C(N/N=C(/CSc1nc2ccccc2[nH]1)c1ccc(Br)cc1)c1ccccc1Cl 59460704 BMHITCMFNLUBNK-OOAXWGSJSA-N 499.821 5.905 50 10 JKGE C=CCOc1ccc(Br)cc1/C=C(/C#N)C(=O)Nc1ncc(Cc2ccc(C)cc2)s1 102974039 HNYNPOUKUWZTLN-UNOMPAQXSA-N 494.414 5.915 50 10 JKGE Fc1ccc(Br)cc1C[C@H](CBr)c1ccc(Br)cc1 118657966 OXFUBEJOMAVCIW-GFCCVEGCSA-N 450.971 6.072 50 10 JKGE COC(=O)[C@]12CC[C@@H](C)[C@H](C)[C@H]1C1=CC[C@@H]3[C@@]4(C)CC(C#N)=C(O)C(C)(C)[C@@H]4CC[C@@]3(C)[C@]1(C)CC2 137037428 SXGUKFFBCKVSOQ-ZJFKBAMLSA-N 493.732 7.763 50 10 JKGE Cc1cc([C@@H](Br)c2ccc3cc(Br)ccc3c2)sc1Br 159680974 IXVMVLOIESEEDN-HNNXBMFYSA-N 475.043 7.219 50 10 JKGE C[C@](CI)(OCCCc1ccccc1)c1ccccc1Br 162281653 BSNQNLMOYFFFKL-GOSISDBHSA-N 459.165 5.749 50 10 JKGE CCSc1ccc(Cl)cc1CC(=O)N/N=C\c1ccc(OC(=O)c2ccccc2)cc1 169922432 FOSSPDCDRXNBNG-QQXSKIMKSA-N 452.963 5.364 50 10 JKGE Brc1cc2c(cc1[C@@H](Br)c1ccoc1Br)OCCO2 232483601 QZBDKICMTGTCOD-LBPRGKRZSA-N 452.924 5.060 50 10 JKGE CCOc1ccc([C@@H](Br)c2csc(Br)c2)cc1Br 233820381 ZTOITMXDKWDWOU-CYBMUJFWSA-N 455.009 6.156 50 10 JKGE COc1ccc([C@@H](Br)c2cc(Cl)ccc2I)cc1C 234974518 PSMIXBFUKWVWBM-OAHLLOKOSA-N 451.529 5.746 50 10 JKGE CCCCOc1ccc(-c2cc(C(=O)NN=Cc3cnn(CC)c3C)c3ccccc3n2)cc1 252643549 ZVSCFRMWKMABHY-UHFFFAOYSA-N 455.562 5.369 50 10 JKGE 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 254352912 QICKSUTUHBCJRE-QMJBEJEDSA-N 470.694 6.716 50 10 JKGE COc1ccc(CC(C)=NNC(=O)c2ccc(CN3C(=O)c4cccc5cccc3c45)cc2)cc1 254856602 SRNOAEXGWMOZIT-UHFFFAOYSA-N 463.537 5.357 50 10 JKGE C[C@@H]1CCC[C@@](CBr)(NC(=O)c2cc(Br)sc2Br)C1 300462774 FIFFRWJIKNPCEM-AMIZOPFISA-N 474.056 5.347 50 10 JKGE Cc1cccc([C@@H](Cl)c2cc(I)cc3c2OCC3)c1Br 312383021 RQTHCVFIPSFZSN-OAHLLOKOSA-N 463.540 5.625 50 10 JKGE C[C@@H](Cl)c1nc2ccncc2n1-c1cc(I)ccc1Br 312965594 JXVLQBYDTADNIH-MRVPVSSYSA-N 462.516 5.087 50 10 JKGE O=C(NC[C@@H]1CCC[C@H](CBr)C1)c1cc(Br)c(Br)s1 389412772 LPMNZJRDQFMIMO-DTWKUNHWSA-N 474.056 5.204 50 10 JKGE COc1ccncc1COc1c(Br)cc(Br)cc1CBr 394205106 CFPWLBYOUBNZRC-UHFFFAOYSA-N 465.967 5.089 50 10 JKGE CCOc1ccc([C@@H](Br)c2ccsc2Br)cc1Br 698554864 ZDWAZDIEJAWFNH-GFCCVEGCSA-N 455.009 6.156 50 10 JKGE FC1(F)CCC[C@H]1C[C@@H](Br)c1cc(I)cc2c1OCC2 713975476 SHAIKOQSLYDVSN-GXFFZTMASA-N 457.096 5.488 50 10 JKGE O=C(c1cc(Br)c(Br)s1)N1[C@H]2CC[C@H]1CC(CBr)C2 719293518 KSVZKZFLTTZERZ-IUCAKERBSA-N 472.040 5.051 50 10 JKGE CC(=NNC(=O)c1ccccc1NC(=O)c1ccc(Cl)cc1)c1ccc(Cl)c(Cl)c1 1082753818 NZKDORYKFVNNAY-UHFFFAOYSA-N 460.748 6.053 50 10 JKGE O=C(NN=Cc1cc([N+](=O)[O-])ccc1OCc1ccc(Br)cc1)c1c[nH]c2ccccc12 1084151117 XVWDCNVIISKQQN-UHFFFAOYSA-N 493.317 5.182 50 10 JKGE CCOc1ccc(NC(=O)/C(C#N)=C\c2cc(Br)ccc2OCc2ccc(F)cc2)cc1 1084459212 WJVCGJRATJYIIS-UYRXBGFRSA-N 495.348 6.112 50 10 JKGE Cc1c(Cl)cccc1NC(=O)c1oc2c(c1C)C(=NNC(=O)c1ccc(Cl)cc1)CCC2 1772744046 QUXOSDRNYLMEMK-UHFFFAOYSA-N 470.356 5.926 50 10 JKGE Cc1c(C(=O)Nc2ccccc2C(F)(F)F)oc2c1C(=NNC(=O)c1cccc(Cl)c1)CCC2 1772745992 NIPSFROXQQTROC-UHFFFAOYSA-N 489.881 5.983 50 10 JKGE CCOc1ccccc1NC(=O)[C@H](C)Oc1cccnc1NC(=O)Nc1ccc(SC#N)cc1 1858843039 HOIFNFUVGDJUPQ-INIZCTEOSA-N 477.546 5.103 50 10 JKGE COc1ccc(-c2nn(Cc3ccc(F)cc3)c3c2[C@H](c2ccc(C)cc2)C(C#N)=C(N)O3)cc1 1865686041 QPILJVQIKPCLKP-XMMPIXPASA-N 466.516 5.273 50 10 JKGE N#CC1=C(N)Oc2c(c(C(F)(F)F)nn2Cc2cccc(F)c2)[C@@H]1c1c(Cl)cccc1Cl 1865686400 VGDARURSZAKJKB-HNNXBMFYSA-N 483.252 5.614 50 10 JKGE CCCOc1ccc([C@@H]2C(C#N)=C(N)Oc3c2c(CC)nn3Cc2ccc(F)cc2)cc1OCC 1865691419 RGAQNLRHXQWTKX-XMMPIXPASA-N 476.552 5.039 50 10 JKGE C=CCOc1ccccc1[C@@H]1C(C#N)=C(N)Oc2c1c(CCC)nn2-c1cccc2ccccc12 1865691668 YDFZXVFHRXEUFH-AREMUKBSSA-N 462.553 5.761 50 10 JKGE CCc1nn(-c2cccc(Cl)c2)c2c1[C@H](c1ccc(OCc3ccc(C)cc3)cc1)C(C#N)=C(N)O2 1865692347 FDULMGQCMRXIIT-AREMUKBSSA-N 496.998 6.194 50 10 JKGE N#CC1=C(N)Oc2c(c(C(F)(F)F)nn2-c2ccc(Cl)c(Cl)c2)[C@@H]1c1ccc([N+](=O)[O-])cc1 1865713215 UHPJUEVBIDNCEI-OAHLLOKOSA-N 496.232 5.324 50 10 JKGE C[C@@H](CC(=O)N[C@H](Cc1ccc(O)cc1)C(=O)Nc1ccc(SC#N)cc1)c1ccc(Cl)cc1 1866711095 XFWFMMCGYDOPNL-BXKMTCNYSA-N 494.016 5.479 50 10 JKGE CC[C@@H](C(=O)N[C@@H](Cc1ccc(F)cc1)C(=O)Nc1ccc(SC#N)cc1)c1ccc(Cl)cc1 1866951673 UIECDNJZZDVPHY-RPWUZVMVSA-N 496.007 5.912 50 10 JKGE CC(C)(C)c1nc(Nc2ccc(SC#N)cc2)cc(N2CCN3CCc4c(F)cccc4[C@@H]3C2)n1 1868342027 IDEHFSYIYURXCX-QHCPKHFHSA-N 488.636 5.649 50 10 JKGE CCCCCCOc1ccc(/C=C(\C#N)c2nc(-c3c(C)c(C)cc(C)c3C)cs2)cc1OC 1872792505 CHXKVBDOPMNHQD-BUVRLJJBSA-N 474.670 8.076 50 10 JKGE C[C@@H](c1ccccc1)N1C[C@@H](/C(O)=C(\C#N)c2nc(-c3ccc(F)cc3F)cs2)CC1=O 1872818136 OEYZNUWJMBKBFN-YGUNMCQPSA-N 451.498 5.491 50 10 JKGE COc1ccc(OC)c(-c2csc(/C(C#N)=C(\O)c3cccc(Oc4ccccc4)c3)n2)c1 1873920982 ONLNIPDRYGHTOF-LVWGJNHUSA-N 456.523 6.569 50 10 JKGE Clc1c(Br)cccc1[C@H](Cl)c1sc(Br)cc1Br 1922941809 PIWJIZCDTQAWPP-JTQLQIEISA-N 479.846 7.017 50 10 JKGE Cn1ncc(Br)c1[C@H](Cl)c1c(Br)sc(Br)c1Cl 1923054664 ISLODNARXVFRLG-RXMQYKEDSA-N 483.838 5.751 50 10 JKGE Brc1sc(Br)c([C@H](Br)[C@H]2CCCOC2)c1Br 1924580361 QZIIAAYHCCUVKE-CAHLUQPWSA-N 497.872 5.898 50 10 JKGE CCc1sc(Br)cc1[C@@H](Br)c1cc(C)sc1Br 1951016842 UXRXZSCOEOPMGO-LLVKDONJSA-N 459.066 6.690 50 10 JKGE FC1(F)[C@@H]2[C@@H]([C@@H](Br)c3sc(Br)cc3Br)CC[C@H]21 1996488469 QUJDIDXUTJFDFF-TYPSWONNSA-N 450.968 6.000 50 10 JKGE Brc1cc([C@H](Br)[C@@]23CCCC[C@@H]2OCC3)c(Br)s1 2031752688 QPJXLNKCAXQTBJ-XHVZSJERSA-N 459.041 6.058 50 10 JKGE CC1(C)C[C@H](C[C@@H](Br)c2c(Br)sc(Br)c2Cl)CO1 2041481535 FGXPVEVPHZNEAZ-NKWVEPMBSA-N 481.475 6.568 50 10 JKGE N#CC(=Cc1ccc(OCc2ccccc2)c(OCc2ccccc2)c1)c1nc2ccccc2[nH]1 2042446182 XDEYDWGTYIJNJT-UHFFFAOYSA-N 457.533 6.785 50 10 JKGE Clc1cccc(Br)c1C[C@H](Br)c1ccccc1Br 2050532526 HQPGRFPZTIICAU-ZDUSSCGKSA-N 453.399 6.544 50 10 JKGE Cc1cc(C)c([C@@H](Br)c2cc(Br)cs2)c(C)c1Br 2052437642 QHAFLVCTWOWOJY-AWEZNQCLSA-N 453.037 6.683 50 10 JKGE CC1([C@H](Br)c2c(Br)sc(Br)c2Cl)CCCCCC1 2052512958 NTPDMULXNVLJNQ-SNVBAGLBSA-N 479.503 7.723 50 10 JKGE CCc1nn(C)c([C@H](Br)c2sc(C)cc2Br)c1Br 2072302746 ODQOHYCFZSQOBX-JTQLQIEISA-N 457.029 5.362 50 10 JKGE Brc1cc([C@H](Br)c2cccc3c2CCCC3)c(Br)s1 2090200935 JJENLUAVZPMYRZ-CQSZACIVSA-N 465.048 6.636 50 10 JKGE Fc1ccc([C@@H](CBr)Cc2c(Br)cccc2Br)cc1 2094095764 PPGNUJDUBQAWJZ-LLVKDONJSA-N 450.971 6.072 50 10 JKGE CN(C[C@H]1CCCCN1Cc1ccccc1)c1c(CCl)ccc(Br)c1Cl 2098116667 JXOIVOQVFQQNBO-GOSISDBHSA-N 456.255 6.332 50 10 JKGE Cc1csc([C@H](Br)c2scc(C(F)(F)F)c2Br)c1Br 2100814811 NLJUORVVCQDEGR-QMMMGPOBSA-N 499.009 7.146 50 10 JKGE CC[C@@H](Br)CN(Cc1ccccc1)C(=O)c1cc(Br)cc(C(F)(F)F)c1 2115771036 GSTYHWLVSMGQPH-MRXNPFEDSA-N 493.161 6.284 50 10 JKGE Cc1cc(Br)c([C@@H](Br)C(F)(F)[C@@H]2CCOC2)cc1Br 2128824898 YMEKHCQAYGCGEP-PRHODGIISA-N 462.954 5.628 50 10 JKGE CC1(C)OCCC[C@@]1(CBr)Cc1cc(Br)ccc1Br 2130469422 XCIKDZNXKQIFDP-HNNXBMFYSA-N 455.028 5.724 50 10 JKGE C[C@]1([C@H](Br)c2c(Cl)sc(Br)c2Cl)CCCC(F)(F)C1 2132122877 KZSPYTBWRCFVGT-KCJUWKMLSA-N 457.005 7.469 50 10 JKGE Cc1c(Br)ccc([C@H](Br)c2ccc(Cl)cc2F)c1Br 2138849222 CXMRFPIZEZEMDV-CQSZACIVSA-N 471.389 6.797 50 10 JKGE Cc1c(Br)ccc([C@@H](Br)C2CC3(CCOC3)C2)c1Br 2138864274 ODXAVINYLAILLE-CUMGRINNSA-N 453.012 5.773 50 10 JKGE COC[C@@H]1CC[C@@H](Cc2ccc(I)c(Cl)c2)C[C@H]1Br 2142939643 ILYAADKDTNMXCL-WCFLWFBJSA-N 457.577 5.313 50 10 JKGE Fc1ccc([C@H](Br)c2cc(Br)c3c(c2)CCO3)cc1Br 2146626845 HONYYPXHFNQFNV-AWEZNQCLSA-N 464.954 5.770 50 10 JKGE CC[C@@H](Br)[C@@H]1CCCCN1C(=O)c1ccc(Br)cc1Br 2170612382 ICKMKMSROHLPKF-OCCSQVGLSA-N 468.027 5.380 50 10 JKGE Cc1cc(Br)c(CBr)c(N2CCC[C@@H]2[C@@H]2CCN(Cc3ccccc3)C2)c1 2173447416 LUXBHKBTAUKWHF-DENIHFKCSA-N 492.299 6.143 50 10 JKGE CC1(C)CCC[C@H](COc2c(Br)cc(Br)cc2CBr)C1 2203245855 QNUKIYKIOFAPFZ-NSHDSACASA-N 469.055 6.702 50 10 JKGE COc1cccc(F)c1[C@@H](Br)c1ccc(Br)c(C)c1Br 2203682579 AFHJMDNMRWJNCM-HNNXBMFYSA-N 466.970 6.152 50 10 JKGE COc1c(Br)cc(C)cc1[C@H](Br)Cc1ccccc1Br 2203828905 HQVPNAYDXTWBFM-CQSZACIVSA-N 463.007 6.207 50 10 JKGE COc1c(C)cc(Br)cc1[C@H](Br)c1cc(Br)ccc1Cl 2206571867 VAXDYLYSVDDVNK-CQSZACIVSA-N 483.425 6.666 50 10 JKGE Cl[C@H](Cc1ccc2c(c1)CCO2)c1ccc(Br)cc1I 2207264493 GDVXLTCJMNNNCY-CQSZACIVSA-N 463.540 5.511 50 10 JKGE Cc1cc(Br)c([C@@H](Br)c2cscc2Br)c(C)c1Cl 2217609002 UPHDWFVYNDHJSN-LBPRGKRZSA-N 473.455 7.028 50 10 JKGE Cc1sc(Br)c(C)c1[C@H](Br)c1ccc(Br)c(F)c1 2218798867 BNFBENOOZSVIMH-GFCCVEGCSA-N 457.000 6.513 50 10 JKGE FC[C@]12C[C@]([C@H](Br)c3cc(Br)c(Br)cc3F)(CO1)C2 2225617038 LMBOPOFFTGBTRY-JHJVBQTASA-N 460.938 5.305 50 10 JKGE Cc1cc(Br)c([C@H](Br)C23CCC(CC2)O3)c(C)c1Br 2227356642 SBZUDVWPQHCBHP-CUMGRINNSA-N 453.012 5.976 50 10 JKGE COc1cc(Br)c([C@@H](Cl)c2cccc(I)c2)cc1C 2227732722 RJNIERNZIQAIJK-HNNXBMFYSA-N 451.529 5.699 50 10 JKGE CC(C)(C)OC(=O)N1CCC[C@](CI)(O[C@@H]2CCCC[C@@H]2C(F)(F)F)C1 2231401779 YVRWZZVURUNSSU-JJRVBVJISA-N 491.332 5.329 50 10 JKGE CCCCCCc1ccc([C@H](Br)c2cc(Br)c(Cl)s2)s1 2234131864 AJLGYHCYRZPVPU-AWEZNQCLSA-N 456.696 7.833 50 10 JKGE Cc1sc([C@@H](Cl)c2c(Br)cc(F)c(Cl)c2F)c(C)c1Br 2234464128 LADCATKECTYDLT-NSHDSACASA-N 464.984 7.150 50 10 JKGE COc1ccc([C@H](Br)c2cc(Br)c(C)s2)c(OC)c1Br 2234474975 ONOGZKNUKDJQIB-LBPRGKRZSA-N 485.035 6.083 50 10 JKGE Cc1cc(Br)c([C@H](Br)C[C@H]2CCC23CCC3)c(C)c1Br 2235600331 QEPQKQFAPYKADC-TZMCWYRMSA-N 465.067 7.235 50 10 JKGE Cc1cc(Br)c([C@@H](Br)C[C@H]2CCCOCC2)c(C)c1Br 2235613756 ARERTOKICLJQED-JSGCOSHPSA-N 469.055 6.471 50 10 JKGE COc1cc(NC(=O)OCC2c3ccccc3-c3ccccc32)c(C(=O)O)cc1OC[C@H]1C[C@H]1Cl 2256396399 XFUAKSCCWAXJDU-IVZQSRNASA-N 493.943 5.761 50 10 JKGE CC[C@H](Oc1c(Br)cc(Br)cc1CBr)C(F)(F)F 2263895797 QUYGERUIVWMANJ-VIFPVBQESA-N 454.906 5.826 50 10 JKGE Clc1cc([C@H](Cl)c2scc(Br)c2Cl)c(Cl)c(Cl)c1Cl 2264607350 LLNWXNXNXQYDGP-ZETCQYMHSA-N 459.834 8.106 50 10 JKGE Fc1cc(Br)c(Br)cc1[C@@H](Br)C[C@@H]1CCCC12CC2 2266633152 XOIDSZWBJCGUSJ-ONGXEEELSA-N 455.003 6.757 50 10 JKGE CC(C)[S@@](=O)(=NCCCCCCCBr)[C@@H]1CCN(C(=O)OC(C)(C)C)C1 2277441463 AKYFOXIVQMQVHI-QUGAMOGWSA-N 453.487 5.218 50 10 JKGE COc1c(Br)cc(Cl)c(C)c1[C@H](Br)c1ccc(Br)s1 2277890540 WEYGXRQPESRIRU-GFCCVEGCSA-N 489.454 6.728 50 10 JKGE COC[C@@H]1CC[C@H]([C@@H](Br)Cc2cc(Br)cc(Br)c2)C1 2277954898 GHYGGRFANNOJRT-GMXABZIVSA-N 455.028 5.580 50 10 JKGE COc1ccc([C@H](Br)c2cc(C)c(F)cc2F)cc1I 2285012294 RNAFXWLRMGEWQJ-HNNXBMFYSA-N 453.064 5.371 50 10 JKGE COc1cc(C)c(Br)c(C)c1[C@@H](Cl)c1ccccc1I 2285074989 OSYMQUDXXIJRHD-INIZCTEOSA-N 465.556 6.007 50 10 JKGE COc1ccc([C@@H](Br)c2cc(Br)c(F)cc2C)c(Br)c1 2285983287 DNAPVQWWHLCJIT-OAHLLOKOSA-N 466.970 6.152 50 10 JKGE CC1(C)COc2c([C@H](Br)c3cc(Br)co3)cc(Br)cc21 2285987844 OYCANWCXLQNAKZ-ZDUSSCGKSA-N 464.979 5.959 50 10 JKGE C=CC[C@]1(CBr)CCCN1C(=O)c1cccc(Br)c1Br 2287745268 NRRIKULSBBMBDX-OAHLLOKOSA-N 466.011 5.157 50 10 JKGE Fc1cc(Br)c(F)c(Br)c1[C@H](Br)C1(F)CC2(CCC2)C1 2288361596 CNBZYDJVFCDMBT-LBPRGKRZSA-N 476.956 6.598 50 10 JKGE Fc1cc(Br)c(F)c(Br)c1[C@H](Br)[C@@H]1Cc2ccccc21 2288362774 JQIVZKATYHAREC-NOZJJQNGSA-N 466.945 6.266 50 10 JKGE CCCCOc1ccccc1C=C(C#N)C(=O)Nc1ncc(Cc2cccc(C(F)(F)F)c2)s1 2293202094 AUXODPYSZKCYRN-UHFFFAOYSA-N 485.531 6.477 50 10 JKGE COc1c([C@@H](Br)[C@H]2C[C@H](Br)C2)cc(Br)c2ccccc12 2294769382 ZKHJSEGNFKKALL-YHAQOWFVSA-N 463.007 6.220 50 10 JKGE Cc1ccc2cc(C=C(C#N)c3nc(-c4ccc(Br)cc4)cs3)c(Cl)nc2c1 2297315880 ZZXZJLNWPJIMTM-UHFFFAOYSA-N 466.791 7.147 50 10 JKGE Cc1ccc(CSC(Nc2ccc(C)c(Cl)c2)=C(C#N)S(=O)(=O)c2ccccc2)c(C)c1 2297350100 VTBQNYSATKESML-UHFFFAOYSA-N 483.058 6.777 50 10 JKGE Brc1cc(OCc2ccccc2)ccc1[C@H](Br)[C@@H]1C[C@H]2CC[C@H]1O2 2299501391 NTGDTIRBHURDRG-QOJCHSLYSA-N 452.186 6.032 50 10 JKGE Brc1ccc(OCc2ccccc2)c([C@H](Br)C23CCC(CC2)O3)c1 2299522789 NOZZOJGSTIQKLQ-AJPWXKBRSA-N 452.186 6.176 50 10 JKGE BrCC1(Cc2ccc(I)c(Br)c2)CCCCC1 2306222732 YCBLRLDBOWPCTN-UHFFFAOYSA-N 472.002 5.942 50 10 JKGE Clc1cc(Cl)cc([C@H](Cl)c2cc(Br)ccc2OCc2ccccc2)c1 2314449556 QWXPTJHCDDUMFL-FQEVSTJZSA-N 456.594 7.663 50 10 JKGE CC(C)(C[C@@H](Br)c1ccc(OCc2ccccc2)cc1Br)C(F)(F)F 2314455131 MGCZDNZAZUXVPH-QGZVFWFLSA-N 480.162 7.443 50 10 JKGE CCCCCOc1ccc(C=C2C(=O)N(CCc3ccccc3)C(=O)C(C#N)=C2C)cc1OCC 2314616885 MCTAZWNIWIMDRR-UHFFFAOYSA-N 472.585 5.489 50 10 JKGE Clc1cc(I)c([C@H](Br)[C@H]2C[C@H]2c2ccccc2)s1 2316599857 XFGGWATYWPCEMD-OUJBWJOFSA-N 453.570 6.246 50 10 JKGE CC(C)(C)OC(=O)N1CCC[C@@](CI)(O[C@H]2CCC3(CCCC3)C2)C1 2320509387 YEJUJJAANOSIFH-JXFKEZNVSA-N 463.400 5.321 50 10 JKGE Brc1cc(C[C@H]2CCCCCC[C@H]2Br)ccc1I 2325175683 PGXRDHUDDYZWTE-CHWSQXEVSA-N 486.029 6.330 50 10 JKGE N#CC(=C(O)c1ccc(Cl)c([N+](=O)[O-])c1)c1nc(-c2ccc(-c3ccccc3)cc2)cs1 2331231923 CFFJDURIQJNTOE-UHFFFAOYSA-N 459.914 6.989 50 10 JKGE CC[C@@H](C)N1C(=O)c2ccc(C(O)=C(C#N)c3nc(-c4ccc(Cl)cc4)cs3)cc2C1=O 2331295916 UDJLDEQCCSZYSR-CYBMUJFWSA-N 463.946 5.808 50 10 JKGE CC(C)c1ccccc1O[C@H](C)C(O)=C(C#N)c1nc(-c2ccc(Cl)c(Cl)c2)cs1 2331311799 ZFGXSDQBAPQCCJ-CQSZACIVSA-N 459.398 7.500 50 10 JKGE CCOc1ccc(CCC(O)=C(C#N)c2nc(-c3cc(OC)ccc3OC)cs2)cc1OC 2331325386 TWHZXFSYQMAWRR-UHFFFAOYSA-N 466.559 5.660 50 10 JKGE N#CC(=C(O)CCCCCNC(=O)c1ccccc1)c1nc(-c2cccc3ccccc23)cs1 2331339613 TWSYZUYCDQDBOB-UHFFFAOYSA-N 467.594 6.746 50 10 JKGE N#CC(=C(O)CCCOc1ccc(Cl)cc1Cl)c1nc(-c2ccc(F)c(F)c2)cs1 2331352416 SQAYCYXZWFPFGS-UHFFFAOYSA-N 467.324 7.047 50 10 JKGE CCOc1ccc(-c2csc(C(C#N)=C(O)COc3ccc(Cl)c(C)c3)n2)c(OCC)c1 2331386467 BVDGYCIRLBAPRD-UHFFFAOYSA-N 470.978 6.441 50 10 JKGE COc1cc(Cl)c(C)cc1-c1csc(C(C#N)=C(O)c2cccc(Br)c2)n1 2331390436 LORNABXIVXCRFP-UHFFFAOYSA-N 461.768 6.493 50 10 JKGE COc1ccc(-c2csc(C(C#N)=C(O)C=Cc3ccc(C(C)(C)C)cc3)n2)c2ccccc12 2331406527 WGLAFPDWRUEFBC-UHFFFAOYSA-N 466.606 7.775 50 10 JKGE COc1ccc(-c2csc(C(C#N)=Cc3ccc(OCc4ccc(C)cc4)c(OC)c3)n2)cc1 2331431357 VOHVRZZTHAGRGP-UHFFFAOYSA-N 468.578 6.779 50 10 JKGE CCC1(CC)[C@H](Br)C[C@H]1Oc1cc(Cl)c(C)cc1I 2336544100 RBIPPAYZLLPZMK-ZIAGYGMSSA-N 457.577 5.974 50 10 JKGE CCCc1sc(Br)cc1[C@@H](Br)c1sc(C)c(Br)c1C 2338031916 QMMVDVXHTYCHSY-CYBMUJFWSA-N 487.120 7.388 50 10 JKGE Cc1cc(Br)c(F)c(Br)c1[C@H](Br)C1CC(C(C)C)C1 2339653077 FXJHBMDKZFWWOF-SRHKJQAYSA-N 457.019 6.777 50 10 JKGE Cc1cc(Br)c(F)c(Br)c1[C@H](Br)CC1C[C@H]2C[C@@H]2C1 2339682055 OHGMRRMZWVTXIY-GARJFASQSA-N 455.003 6.531 50 10 JKGE COc1ccc([C@H](Br)c2ccc(Cl)cc2I)cc1Cl 2340063173 HXIDNFSTNDDJTM-AWEZNQCLSA-N 471.947 6.091 50 10 JKGE Clc1ccc(CN2C[C@@H](Br)CC23CCCC3)c(I)c1 2341034167 FDCCSBSFNVXJRB-LBPRGKRZSA-N 454.577 5.227 50 10 JKGE CC[C@@H]1C[C@@H]1C[C@@H](Br)c1c(C)cc(Br)c(OC)c1Br 2343387935 MKKMTTDJJJGOPZ-GMTAPVOTSA-N 455.028 6.401 50 10 JKGE COC[C@@H]1CC[C@H](Cc2cc(I)ccc2Cl)C[C@H]1Br 2352444042 NBCMAQBUNMLOJH-UHIISALHSA-N 457.577 5.313 50 10 JKGE C[C@@H]1O[C@@]2([C@H](Br)c3c(Cl)cc(Br)c(F)c3Br)CC[C@H]1C2 2362233369 ZRQCHVATWDMAPV-FMMZJVGLSA-N 491.420 6.398 50 10 JKGE COc1cc(F)c(F)cc1[C@H](Br)c1ccc(Cl)cc1I 2365595284 IHJCYRYGRWSSRD-CQSZACIVSA-N 473.482 5.716 50 10 JKGE COc1cc(Cl)c([C@H](Cl)c2ccc(Cl)cc2I)cc1Cl 2365599032 UBJRXWANJIFQLQ-CQSZACIVSA-N 461.941 6.588 50 10 JKGE C[C@](CI)(OCc1cccc(I)c1)c1ccccc1F 2367346389 WFMROQABKRSJNS-MRXNPFEDSA-N 496.101 5.297 50 10 JKGE CCOC(=O)c1c(NC(=O)/C(C#N)=C\c2ccc(OCC)c(OC)c2)sc2c1CC[C@@H](C)C2 1959332 DKPVNIMTFSFMCH-UHVIJJLKSA-N 468.575 5.003 50 10 JKGE COc1ccc(/C=C2\CCCC3=C2OC(N)=C(C#N)[C@@H]3c2ccc(OC)cc2OC)c(OC)c1 2111781 FUUBNJNDENGICH-HSEDLZSMSA-N 460.530 5.050 50 10 JKGE N#C/C(=C/c1ccc(C(F)(F)F)cc1)c1ccc(Oc2ccc(C(F)(F)F)cc2[N+](=O)[O-])cc1 12339294 BJKCXFBGZPFNHL-WJDWOHSUSA-N 478.348 7.489 50 10 JKGE N#C/C(=C\c1ccc(-c2ccc(Cl)c(Cl)c2)o1)c1nc(-c2ccc(Cl)cc2)cs1 28356606 GFSZYKJPDPAWCL-OQLLNIDSSA-N 457.769 8.094 50 10 JKGE CCOC(=O)c1c(NC(=O)/C(C#N)=C\c2ccc(-c3ccccc3[N+](=O)[O-])o2)sc(C)c1C 33143516 JVVGZHIKNKEMJD-PTNGSMBKSA-N 465.487 5.256 50 10 JKGE C=CCOc1ccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4cccc(OCC)c4)ccc32)cc1OC 38681132 JQEKPEPVUFREFI-HHHXNRCGSA-N 498.535 5.096 50 10 JKGE Cc1cc2oc(C(=O)Oc3ccc4c(c3)OC(N)=C(C#N)[C@@H]4c3cccs3)c(C)c2cc1C 38688395 GYNRXATWJBHFFE-HSZRJFAPSA-N 456.523 5.857 50 10 JKGE COc1ccccc1C(=O)NNC(=O)CCCc1c(-c2ccc3ccccc3n2)[nH]c2ccc(C)cc12 39867314 GZXMZEDMMOQCDL-UHFFFAOYSA-N 492.579 5.484 50 10 JKGE CCOc1cccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4cc([N+](=O)[O-])ccc4Cl)ccc32)c1 40530218 WBQQIHKSFWCQBU-QHCPKHFHSA-N 491.887 5.084 50 10 JKGE CCCNC(=O)/C(C#N)=C/c1ccc(OC(=O)c2sc3ccc(OC)cc3c2Cl)c(OC)c1 41008105 UFLBXKLLCCQUBU-XNTDXEJSSA-N 484.961 5.224 50 10 JKGE Cc1nn(-c2ccccc2)c(C)c1/C=N/NC(=O)COc1ccc(C(C)(C)c2ccccc2)cc1 59156007 KKYVDKBIGYVVLQ-NDZAJKAJSA-N 466.585 5.344 50 10 JKGE Cc1ccc(COc2ccc(/C=N/NC(=O)c3cc4cc(Br)ccc4o3)cc2)cc1 59304017 OTIUDDIFNBHLOI-VULFUBBASA-N 463.331 5.847 50 10 JKGE CCCc1cc(C(=O)OC)c(NC(=O)/C(C#N)=C\c2cccc(OCc3cccc(Cl)c3)c2)s1 96438596 CASWFOAZNYBTEP-ODLFYWEKSA-N 495.000 6.265 50 10 JKGE N#C/C(=C(\Nc1cccc(Cl)c1)SCc1cccc(F)c1)S(=O)(=O)c1ccccc1 96482173 CSAFKMRRNKTYTM-DQRAZIAOSA-N 458.967 5.991 50 10 JKGE O=C(NC1CCCCC1)[C@H](c1cccc(Br)c1)N(Cc1ccc(F)cc1)C(=O)CCl 97915139 PIRGOBWNYRKHKL-QFIPXVFZSA-N 495.820 5.346 50 10 JKGE CC[C@H](C)N1C(=O)C(C#N)=C(C)/C(=C\c2cn(-c3ccccc3)nc2-c2ccc3ccccc3c2)C1=O 101334098 YATSCLUURFMHHD-KKMLCIJBSA-N 486.575 6.083 50 10 JKGE CC1=C(C#N)C(=O)N(Cc2ccccc2Cl)C(=O)/C1=C/c1ccc(-c2cccc(Cl)c2Cl)o1 101340846 OZTUHAURUXYJCB-WOJGMQOQSA-N 497.765 6.699 50 10 JKGE COc1cc(/C=C(/C#N)C(=O)Nc2nc3ccccc3s2)ccc1OCCSc1ccccc1 102444064 WDUOXKTXRUYCRC-CYVLTUHYSA-N 487.606 6.022 50 10 JKGE Brc1ccc(Br)c([C@@H](Br)c2cc3c(s2)CCCCC3)c1 109844383 RFHZUPYSQPQTMI-MRXNPFEDSA-N 479.075 7.026 50 10 JKGE Cc1ccc(CC(CBr)(CBr)c2ccc(Br)cc2)cc1 118878514 SVIFBPUANLZCJP-UHFFFAOYSA-N 461.035 6.028 50 10 JKGE Clc1cc([C@H](Br)c2csc(I)c2)c(Cl)s1 118884109 VPMOLFQZZZIXNE-MRVPVSSYSA-N 453.979 6.205 50 10 JKGE Cc1sc(Br)cc1[C@H](Br)c1c(F)cc(Br)cc1F 122340215 RSZKPISBXLOYOX-LBPRGKRZSA-N 460.963 6.344 50 10 JKGE COc1cc(Br)c([C@H](Br)c2cc(C)c(Br)s2)cc1OC 123416992 RLIOBSHCXNHGPB-ZDUSSCGKSA-N 485.035 6.083 50 10 JKGE Cc1cc([C@H](Br)c2cccc(I)c2)sc1Br 126778906 BAANHBCUDZBXOU-LLVKDONJSA-N 471.983 5.908 50 10 JKGE COc1ccc(C[C@@H](Br)c2cc(Br)c(Br)s2)cc1OC 128294112 KSDXTOKGLARZHW-SECBINFHSA-N 485.035 5.969 50 10 JKGE CCOc1ccc(Br)cc1[C@H](Cl)c1cc(Br)ccc1Br 161072731 PGBJCFYXTQMYGH-OAHLLOKOSA-N 483.425 6.701 50 10 JKGE CC(C)(C)C1CCC(CI)(OCc2cccc(Br)c2)CC1 162542807 IUBGNFZOLRSUGT-UHFFFAOYSA-N 465.213 6.376 50 10 JKGE CCCCCOc1ccc(/C=C2\C(=O)N([C@@H](C)c3ccccc3)C(=O)C(C#N)=C2C)cc1OC 214342069 RQJNRTDZSKOYMM-LORYXUCWSA-N 458.558 5.618 50 10 JKGE Clc1ccccc1C[C@H](Cl)c1cc(I)ccc1Br 236021475 DVXUGXDGUGJJBJ-AWEZNQCLSA-N 455.948 6.230 50 10 JKGE CCC(=NNC(=O)CSc1nc2ccccc2n1Cc1ccc(Cl)cc1)c1ccc(O)cc1 252597472 CRGRPZXRIOPAAL-UHFFFAOYSA-N 479.005 5.466 50 10 JKGE COc1ccc(C(=O)NN=Cc2cn(Cc3c(F)cccc3Cl)nc2-c2ccccc2)cc1 252625193 QFALUKCPMAWBNL-UHFFFAOYSA-N 462.912 5.163 50 10 JKGE CCCCCCCCCC(=O)NCC(=O)NN=Cc1cn(-c2ccccc2)nc1-c1ccccc1 254493554 VGSMXHKIAVFJHS-UHFFFAOYSA-N 473.621 5.246 50 10 JKGE Cc1ccc(/C=C/C(=O)OCC(=O)N(N=Cc2ccccc2)c2cccc(C(F)(F)F)c2)o1 254870265 SENCMEAUNKIOLQ-KJTGEJOUSA-N 456.420 5.231 50 10 JKGE CS(C)(=O)=N[P+](c1ccccc1)(c1ccccc1)[C@H](N=Nc1ccccc1)c1ccccc1 263629982 MRKUMUJUVWCEOF-MHZLTWQESA-N 472.574 6.780 50 10 JKGE Fc1ccc(COc2c(Br)cc(Br)cc2CBr)c(F)c1 380091340 LDOJJVLWNQTJTJ-UHFFFAOYSA-N 470.933 5.964 50 10 JKGE Fc1ccc([C@@H]2CN(Cc3ccccc3)C[C@@H]2CI)cc1Br 382721287 NOXLEVLBIRJILN-HOTGVXAUSA-N 474.155 5.239 50 10 JKGE FC(F)(F)CCCC(CBr)(CBr)c1cccc(Br)c1 396601844 VJEJETZRNWJIAJ-UHFFFAOYSA-N 466.961 6.209 50 10 JKGE Fc1ccc([C@@H](Br)c2cc(Cl)c(Cl)c(Cl)c2Cl)cc1Br 404645314 GEGZOVZKZMWAAS-SNVBAGLBSA-N 481.801 7.686 50 10 JKGE Cc1ccc(S(=O)(=O)ON=C(c2ccc(CO[Si](C)(C)C(C)(C)C)cc2)C(F)(F)F)cc1 606513420 QGOUWLJEIYYHJB-UHFFFAOYSA-N 487.616 6.189 50 10 JKGE C[C@@H](CC(F)F)CC(CBr)(CBr)c1cccc(Br)c1 687830574 GRLVSUBZGXCFQM-JTQLQIEISA-N 462.998 6.158 50 10 JKGE BrC[C@@H](Cc1ccc(Br)cc1)Cc1sncc1Br 719831264 UEWCTDGTUMHJIG-JTQLQIEISA-N 454.025 5.464 50 10 JKGE C[C@@H](Cl)c1ccccc1NC(=O)c1ccc(I)c(Br)c1 721572514 LPBYDLJMXPBOBN-SECBINFHSA-N 464.528 5.606 50 10 JKGE Cc1cc(C=NNC(=O)CSCc2cccc(Cl)c2)c(C)n1-c1cccc(Cl)c1Cl 725390536 FOKDNAVEMIKONU-UHFFFAOYSA-N 480.848 6.438 50 10 JKGE Cc1cc(C)nc(SCC(=O)NN=Cc2cc(C)n(-c3ccc(Cl)cc3Cl)c2C)n1 725403181 GSVMNWAFNXNBOX-UHFFFAOYSA-N 462.406 5.050 50 10 JKGE CCOc1ccc([C@H](O)CCC(=O)NN=Cc2cc(C)n(-c3ccccc3Br)c2C)cc1 725434675 CEYFPUQNRCVOEW-XMMPIXPASA-N 498.421 5.219 50 10 JKGE CN(C)C(=O)/C(C#N)=C/c1ccc(OCc2ccc(Cl)cc2Cl)c(Br)c1 1084416297 LEUNMNGYMLQBFI-VGOFMYFVSA-N 454.151 5.330 50 10 JKGE CCOc1ccc(Br)cc1C=NNC(=O)c1ccc(OCc2ccccc2)cc1 1084424968 KGVJJZKGLIUDMU-UHFFFAOYSA-N 453.336 5.191 50 10 JKGE Cc1cc(OC(=O)c2oc3c(c2C)C(=NNC(=O)c2ccccc2F)CCC3)ccc1Cl 1772743598 DBICLNPXYODJNN-UHFFFAOYSA-N 454.885 5.379 50 10 JKGE CC(C)CCC[C@@H](C)[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@@]21C 1848665508 RJYDKYCTOASENH-AENLZBLWSA-N 491.200 8.957 50 10 JKGE Cc1ccc(-n2nc(C(F)(F)F)c3c2OC(N)=C(C#N)[C@@H]3c2c(Cl)cccc2Cl)cc1 1865686441 WCSBBPSTQKRIOS-OAHLLOKOSA-N 465.262 5.725 50 10 JKGE CCCc1nn(-c2ccccc2)c2c1[C@@H](c1ccc(OCc3ccc(C)cc3)cc1)C(C#N)=C(N)O2 1865692794 IGDLNJRTFXBCLJ-MHZLTWQESA-N 476.580 5.930 50 10 JKGE COc1ccc(-c2nn(CC(C)C)c3c2[C@@H](c2ccc(OC(C)C)c(OC)c2)C(C#N)=C(N)O3)cc1 1865697204 PMPKVXGBDQRDQU-DEOSSOPVSA-N 488.588 5.229 50 10 JKGE CCN(CC)c1ccc([C@@H]2C(C#N)=C(N)Oc3c2c(C)nn3Cc2ccc(Cl)c(Cl)c2)cc1 1865702080 MHJDKBZJTOAIOP-HSZRJFAPSA-N 482.415 5.611 50 10 JKGE N#CC1=C(N)Oc2c(c(C(F)(F)F)nn2Cc2ccc(Cl)cc2)[C@H]1c1ccc(C(F)(F)F)cc1 1865710594 CEWONIJVRGRLSC-INIZCTEOSA-N 498.814 5.841 50 10 JKGE CN1CCN(c2cc(Nc3ccc(SC#N)cc3)nc(-c3ccccc3)n2)C[C@@H]1c1ccc(F)cc1 1868364597 ANUXIQIXTCVGOJ-RUZDIDTESA-N 496.615 6.093 50 10 JKGE COc1cc(OC)c(OC)cc1/C=C1\Oc2c(ccc(OCc3ccc(CCl)cc3)c2C)C1=O 1871436861 TWYRBYGIWVFNPU-ROTLSHHCSA-N 480.944 5.955 50 10 JKGE N#C/C(=C(/O)c1ccccc1Br)c1nc(-c2ccc(Cl)c(Cl)c2)cs1 1872748991 WTIPCOPGLGHJRZ-ATVHPVEESA-N 452.160 6.829 50 10 JKGE COc1ccc(OC)c(C/C(O)=C(\C#N)c2nc(-c3cc(Cl)c(OC)c(Cl)c3)cs2)c1 1872755712 BDQGIGVCIBXKKC-CYVLTUHYSA-N 477.369 6.178 50 10 JKGE COc1ccc(-c2csc(/C(C#N)=C/c3ccc(OCc4ccccc4C)cc3)n2)cc1Cl 1872794847 ZNXZOJOVKPOLQJ-LPYMAVHISA-N 472.997 7.424 50 10 JKGE COC(=O)c1ccccc1N1C[C@@H](/C(O)=C(\C#N)c2nc(-c3ccc4ccccc4c3)cs2)CC1=O 1873940664 BSHGFKMIEREYAH-QXUWJFDOSA-N 495.560 5.596 50 10 JKGE CCc1nn(C)c([C@@H](Br)Cc2ccc(Br)cc2)c1Br 1877189837 DRWSNCRPGRTFQV-NSHDSACASA-N 451.000 5.186 50 10 JKGE CC(C)(C)OC(=O)N[C@H](CBr)Cc1cc(Br)c(Br)s1 1880762499 WNUODPIIPCWDNZ-ZETCQYMHSA-N 478.044 5.104 50 10 JKGE CC(C)(C)OC(=O)N[C@@H](CBr)Cc1ccc(Br)c(Br)c1 1882088152 OUJVYYALMYVAII-SNVBAGLBSA-N 472.015 5.042 50 10 JKGE C[C@H](Cl)CN(Cc1ccccc1)c1ncc(I)cc1Br 1882959193 XBHUBLQNAAHLLU-NSHDSACASA-N 465.560 5.083 50 10 JKGE C[C@@H]1CC[C@H]([C@H](Cl)c2c(Br)sc(Br)c2Br)O1 1897065318 QQJHFPJJAYAEGF-LRMHIPNDSA-N 453.421 5.883 50 10 JKGE Cl[C@@H](c1cc(Br)ccc1OCc1ccccc1)c1occc1Br 1899864762 RQKIWWDZXNRHNH-KRWDZBQOSA-N 456.561 6.712 50 10 JKGE C[C@H](Br)CN(Cc1ccccc1)Cc1c(Br)cccc1Br 1914614513 WUQAEWAHBSUOMG-ZDUSSCGKSA-N 476.050 5.997 50 10 JKGE CC(C)[C@@H](CBr)N(Cc1ccccc1)c1ccc(S(=O)(=O)C(F)(F)F)cc1 1915323784 UFSLPOYSIPHHOH-GOSISDBHSA-N 464.347 5.406 50 10 JKGE O=C(NCC1CCC(CBr)CC1)c1ccc(Br)cc1Br 1922691094 YGXAPZFHHUAKFX-UHFFFAOYSA-N 468.027 5.143 50 10 JKGE C[C@@H](C1CCC1)[C@@H](Br)c1c(Br)sc(Br)c1Br 1924607935 AYHNZEUWXBLYDL-YLWLKBPMSA-N 495.900 6.908 50 10 JKGE Clc1cc([C@@H](Br)c2c(Cl)sc(Cl)c2Cl)ccc1Br 1925586825 DHEBXEQZUUXFKV-MRVPVSSYSA-N 469.840 7.609 50 10 JKGE COc1cc(Br)ccc1[C@@H](Cl)c1c(Cl)sc(Br)c1Cl 1925591231 VWTXSBOPRXRQBY-SECBINFHSA-N 465.421 6.917 50 10 JKGE Cc1c([C@H](Cl)c2cc(Br)sc2Br)nn(C)c1Br 2002828310 HWPATTMNYHQTNZ-SSDOTTSWSA-N 463.420 5.406 50 10 JKGE Cl[C@@H](c1ccc(I)cc1)c1cc(C2CC2)c(Br)s1 2033633227 LIKODXWITAHPPD-ZDUSSCGKSA-N 453.570 6.321 50 10 JKGE CCCC(CBr)(CCC)CN1C[C@H](C)N(C(=O)OCc2ccccc2)[C@H](C)C1 2044698505 CESSZHISWDVXGC-BGYRXZFFSA-N 453.465 5.699 50 10 JKGE Cc1c(Br)sc([C@@H](Br)[C@@H]2CCCC(C)(C)C2)c1Br 2049575280 WKDDPBUBJASXEI-KOLCDFICSA-N 459.085 7.234 50 10 JKGE COc1cc(C)c(Br)cc1[C@@H](Cl)c1cc(I)sn1 2056486779 FAMNRMZOUFULRE-GFCCVEGCSA-N 458.546 5.155 50 10 JKGE CC(C)(C)OC(=O)N1CCC[C@]2(CC[C@@](C)(CI)O2)C12CCCCC2 2083790381 HUFOQBWMOMMTNY-ICSRJNTNSA-N 463.400 5.463 50 10 JKGE C[C@H](CBr)[C@@H]1CCCCN1Cc1ccc(Br)cc1Br 2092266377 LLKCRRICPCAEQE-ABAIWWIYSA-N 454.044 5.597 50 10 JKGE Fc1cc(Br)c([C@H](Cl)c2csc(Br)c2Br)c(F)c1F 2093948130 TZGMUTZTKUGOKS-MRVPVSSYSA-N 499.371 6.781 50 10 JKGE FC1(F)CCCCC[C@@H]1[C@@H](Br)c1cc(Br)ccc1Br 2108659473 VARWHICKHIVCSQ-YPMHNXCESA-N 460.982 6.863 50 10 JKGE Clc1c(Br)sc(Br)c1[C@@H](Br)[C@H]1CCCCC12CCC2 2117006487 FDQKABQVNLVEFI-SCZZXKLOSA-N 491.514 7.723 50 10 JKGE CO[C@H]1C[C@H]([C@H](Br)c2c(Br)sc(Br)c2Cl)C[C@H]1OC 2118273543 YWCBJHDJPQFQCO-LKHWLPBLSA-N 497.474 5.803 50 10 JKGE C[C@@H]1Cc2cc(Br)cc([C@H](Br)c3cc(Br)sn3)c2O1 2120034824 ZWVBOBWXMMNDFY-INWYIAFRSA-N 468.008 5.476 50 10 JKGE Cc1cc(Br)c(C)c([C@@H](Br)C[C@H](C)C(C)(C)C)c1Br 2136380131 RQCOOGDFNWOKSO-GWCFXTLKSA-N 455.072 7.337 50 10 JKGE COCC1([C@@H](Br)c2ccc(Br)cc2Br)CCCCC1 2138863448 ICODCKMGGYNDNV-AWEZNQCLSA-N 455.028 6.245 50 10 JKGE Cc1cc(Br)c([C@H](Br)[C@@H]2CCCCC23CCC3)cc1Br 2173623496 VABKTQCGEUYQDJ-BBRMVZONSA-N 465.067 7.317 50 10 JKGE C[C@H]1C[C@@H](n2c(CCl)nc3cc(F)c(Br)cc32)CN(Cc2ccccc2)C1 2184260715 OBZJUQYWWYPIOJ-GOEBONIOSA-N 450.783 5.760 50 10 JKGE Cc1cc(Br)c(C)c([C@@H](Br)Cc2ccccc2Cl)c1Br 2201067855 BQNXMBIQJNQITL-ZDUSSCGKSA-N 481.453 7.161 50 10 JKGE COc1cc(F)c([C@H](Cl)c2ccc(F)cc2I)cc1Br 2202914001 PZVCRFMZPGQUBM-CQSZACIVSA-N 473.482 5.669 50 10 JKGE COc1c(Cl)cc(Br)cc1[C@H](Cl)c1nn(C)c(Cl)c1Br 2203009824 VMCANGXICZQXLU-VIFPVBQESA-N 463.384 5.589 50 10 JKGE COc1c(Br)cc(C)cc1[C@H](Br)c1cccc(C)c1Br 2203824355 NRPVTGHBBNVQHQ-OAHLLOKOSA-N 463.007 6.321 50 10 JKGE COc1c(Br)cc(C)cc1[C@@H](Br)c1ccc(Br)cc1F 2203829120 IICQAHAFCCOKGS-AWEZNQCLSA-N 466.970 6.152 50 10 JKGE O=C(Cc1ccc(Br)cc1Cl)N(CCCBr)Cc1ccccc1 2211872499 UDKFRGPMMJWGGD-UHFFFAOYSA-N 459.609 5.459 50 10 JKGE F[C@H]([C@H](Br)c1c(Br)cc(Cl)c(Cl)c1Cl)C(F)(F)F 2217608831 SHYPFBBRNFTJEZ-SVGQVSJJSA-N 453.282 6.746 50 10 JKGE C[C@]1([C@H](Br)c2c(Br)cc(Cl)c(Cl)c2Cl)CCCCO1 2224309428 BHZNJNMCMXRCTN-CHWSQXEVSA-N 451.413 6.805 50 10 JKGE Cc1ccc([C@H](Br)Cc2c(F)cccc2Cl)cc1I 2224631680 UDUWQSBGKWXAEL-GFCCVEGCSA-N 453.520 6.071 50 10 JKGE C[C@H](Cl)c1nc2cccc(Br)c2n1C[C@@H]1CC1(Br)Br 2224800210 FOPWAOQVCDSGDD-YUMQZZPRSA-N 471.418 5.605 50 10 JKGE CC(C)C[C@@H](C(C)C)[C@H](Br)c1cc(Br)c(Br)cc1F 2225614886 AJTFJYLADJUXIY-BONVTDFDSA-N 459.035 7.105 50 10 JKGE CC1(C)CCC[C@@H]([C@H](Br)c2cc(Br)c(Br)cc2F)O1 2226862320 CVFCBWIVUDEISU-QWHCGFSZSA-N 458.991 6.134 50 10 JKGE Fc1cc(F)c([C@H](Br)c2cccc(OCc3ccccc3)c2)c(F)c1Br 2227801081 IGCROTGSTUTQHB-GOSISDBHSA-N 486.125 6.930 50 10 JKGE COc1cc(Br)c(C)cc1[C@H](Br)c1sc(C)cc1Br 2229329673 LXPITBYPSOQBGV-ZDUSSCGKSA-N 469.036 6.383 50 10 JKGE CC1(C)C[C@@H](C[C@H](Br)c2c(Br)cc(Cl)c(Cl)c2Cl)CO1 2232511860 LTJWKKHKILGITC-SFYZADRCSA-N 465.440 7.051 50 10 JKGE Clc1cc(Br)c([C@H](Br)[C@@H]2C[C@@]23CCCOC3)c(Cl)c1Cl 2232517123 PMRCOOXUSJATGX-RJDJZPOESA-N 463.424 6.662 50 10 JKGE Cc1ccc(Cl)c([C@H](Br)c2c(Br)cc(Cl)c(Cl)c2Cl)c1 2232528472 SOUXYYGXNUSRKB-LBPRGKRZSA-N 477.838 7.855 50 10 JKGE Cc1cc(Br)c([C@H](Cl)c2c(Cl)cccc2Br)c(C)c1Cl 2232530853 VWJAOJYXSHYYQY-HNNXBMFYSA-N 457.420 7.463 50 10 JKGE CCC[C@@H](CC(C)C)[C@H](Br)c1c(Br)cc(C)c(Br)c1C 2235607088 FKJPVROQJADTKJ-GUYCJALGSA-N 469.099 7.727 50 10 JKGE Cc1cc([C@@H](Cl)c2c(F)cc(F)c(Br)c2F)ccc1I 2236106934 FHQYECOHZYHCCJ-CYBMUJFWSA-N 475.473 6.108 50 10 JKGE Brc1cc([C@H](Br)c2ccc3scnc3c2)sc1Br 2264035409 PRVCOBFIBKXITO-LLVKDONJSA-N 468.033 6.367 50 10 JKGE COc1ccc([C@H](Cl)c2cccc(F)c2Br)cc1I 2269539121 DCMUTGRPPRARGS-AWEZNQCLSA-N 455.492 5.530 50 10 JKGE COc1c(Br)cc(Cl)cc1[C@@H](Br)c1cc(Br)n(C)n1 2277884132 PKRJWZACFADUBK-LLVKDONJSA-N 473.390 5.091 50 10 JKGE Cn1nc([C@H](Br)Cc2cc(Br)cc(Br)c2)c(Cl)c1Cl 2277952810 JXTHHZMYPOAURY-SECBINFHSA-N 491.836 5.931 50 10 JKGE O=C(c1scc(Br)c1Br)N1C[C@H](Br)C[C@H]2CCCC[C@@H]21 2279534082 PEZHUPCBRVOGQU-KKZNHRDASA-N 486.067 5.441 50 10 JKGE FC1CC2(C1)CC([C@H](Br)c1cc(I)cc3c1OCC3)C2 2287848547 HPCAWECHJONYRV-XRDQEZKRSA-N 451.117 5.190 50 10 JKGE C[C@H](C1CCCCC1)[C@H](Br)c1c(F)cc(Br)c(F)c1Br 2288349630 RQKWDWWXZLKCQW-OQPBUACISA-N 475.009 7.142 50 10 JKGE CCn1cc([C@H](Cl)c2c(F)cc(Br)c(F)c2Br)nc1Br 2288357230 JUYIQKRPAPDSMV-JTQLQIEISA-N 493.371 5.797 50 10 JKGE N#CC(C(=O)Nc1ccccc1)=C1S[C@H](Cc2cccc(Cl)c2)C(=O)N1c1ccc(F)cc1 2293039053 ZOPLHOQCVLQMLU-JOCHJYFZSA-N 477.948 5.544 50 10 JKGE COc1cc([C@@H](Br)Cc2cc(Br)cc(Br)c2)ccc1F 2295337958 PXNHGZBEXYXNAY-ZDUSSCGKSA-N 466.970 6.038 50 10 JKGE CS(=O)(=O)c1sccc1[C@@H](Br)c1cc2sc(Br)cc2s1 2295405628 DKVFKCYYWJQUTE-LLVKDONJSA-N 472.270 5.675 50 10 JKGE COc1c(Br)cc([C@@H](Br)c2csnc2Br)c(OC)c1C 2295436328 BDPTWGQKDCKOLP-SNVBAGLBSA-N 486.023 5.478 50 10 JKGE Cc1ccc(C[C@H]2SC(=C(C#N)C(=O)Nc3ccc(C)c(Cl)c3)N(c3ccccc3)C2=O)cc1 2296506967 NMTFZGXZBINXSQ-XMMPIXPASA-N 488.012 6.022 50 10 JKGE COc1ccc2nc(Cl)c(C=C(C#N)c3nc(-c4ccc(-c5ccccc5)cc4)cs3)cc2c1 2297315456 KRAYVCNSQBXISE-UHFFFAOYSA-N 479.992 7.751 50 10 JKGE C[C@@H]1CC[C@H](C[C@H](Br)c2ccc(OCc3ccccc3)cc2Br)O1 2299487951 BKOIMSDPDNBTHP-ZTQAJYAQSA-N 454.202 6.422 50 10 JKGE CC(C)(F)[C@@](C)(F)[C@@H](Br)c1ccc(OCc2ccccc2)cc1Br 2299488655 IQXQKBASAXPUAL-HKUYNNGSSA-N 462.172 6.940 50 10 JKGE CCCOc1c(I)cc(C=C(C#N)C(=O)Nc2ccccc2Cl)cc1OC 2313519061 ZZTJSGROSNYJIB-UHFFFAOYSA-N 496.732 5.288 50 10 JKGE N#CC(=Cc1cn(Cc2ccccc2C#N)c2ccccc12)C(=O)Nc1cccc(Cl)c1Cl 2313570978 KQICXVASLINWCR-UHFFFAOYSA-N 471.347 6.414 50 10 JKGE O=[N+]([O-])c1ccc([C@H](Br)c2cc(Br)ccc2OCc2ccccc2)o1 2314487569 HIJKAFDWAZKVHW-GOSISDBHSA-N 467.113 6.014 50 10 JKGE N#CC(=Cc1ccc(-c2ccccc2)o1)c1nc(-c2ccc(I)cc2)cs1 2314487904 LBMHIQXCAOZEFB-UHFFFAOYSA-N 480.330 6.739 50 10 JKGE N#CC(=Cc1cn(-c2ccccc2)nc1-c1cccc2ccccc12)c1nc(-c2ccc(F)cc2)cs1 2314489804 SYJSWHVMGYBIBQ-UHFFFAOYSA-N 498.586 8.019 50 10 JKGE COc1ccc(-c2nn(-c3ccccc3)cc2C=C(C#N)C(=O)Nc2ccc(C(C)C)cc2)cc1 2314489845 VVECRUFQTYKOAU-UHFFFAOYSA-N 462.553 6.217 50 10 JKGE Fc1cc(Br)ccc1[C@@H](Cl)c1ccc(OCc2ccccc2)cc1Br 2314497377 JUNDMKSRSQEQPI-FQEVSTJZSA-N 484.590 7.258 50 10 JKGE Clc1ccc(Cl)c([C@H](Cl)c2cc(Br)ccc2OCc2ccccc2)c1 2314503373 RMZUDHOXYDHTMU-FQEVSTJZSA-N 456.594 7.663 50 10 JKGE Cc1ccc(Oc2nc3c(C)cccn3c(=O)c2C=C(C#N)C(=O)Nc2ccc(C)c(C)c2)c(C)c1 2314531796 DZFDODDPABFXBX-UHFFFAOYSA-N 478.552 5.575 50 10 JKGE Cc1ccc(C[C@H]2SC(=C(C#N)C(=O)Nc3ccccc3C)N(c3ccc(C)c(C)c3)C2=O)cc1 2314591918 HRWSUDIXNDSBKG-AREMUKBSSA-N 481.621 5.985 50 10 JKGE CCc1ccc(N2C(=O)[C@H](Cc3ccc(F)cc3)SC2=C(C#N)C(=O)Nc2ccccc2)cc1 2314592859 CVYJQAZJJHQZOG-DEOSSOPVSA-N 471.557 5.453 50 10 JKGE N#CC(=Cc1ccc(OC(=O)C=Cc2ccc(Cl)cc2Cl)cc1)C(=O)NCc1ccco1 2314753524 ADGJRHWHHBVYGK-UHFFFAOYSA-N 467.308 5.429 50 10 JKGE Cc1c(Br)sc([C@H](Br)[C@@H]2CO[C@]3(C)C[C@H]2C3)c1Br 2315922616 DSJNGRLRUXCLML-PPJAJKPTSA-N 459.041 5.833 50 10 JKGE COCc1cccc([C@H](Br)c2sc(Cl)cc2I)c1 2316597511 STBACRVEKQDTJM-LBPRGKRZSA-N 457.558 5.637 50 10 JKGE ClCc1ccc(Br)c(Oc2cc(Br)cc(Br)c2)n1 2316725822 JWMXRDCSUODRGU-UHFFFAOYSA-N 456.359 5.900 50 10 JKGE N#CC(=CNc1ccccc1C(F)(F)F)C(=O)N1CCN(C(c2ccccc2)c2ccccc2)CC1 2324598990 ZGBGBYYEXANTEI-UHFFFAOYSA-N 490.529 5.459 50 10 JKGE CC[C@H](NC(=O)C(C#N)=CNCCc1ccccc1Br)c1ccc2c(c1)CCCC2 2325092790 MHVIZBQNFLNAPP-DEOSSOPVSA-N 466.423 5.135 50 10 JKGE COC(=O)c1ccc2c(O)nc(C(C#N)=Cc3ccc(OCc4ccc(C)cc4)c(OC)c3)nc2c1 2331046351 IQLMTMLUUPPKAO-UHFFFAOYSA-N 481.508 5.082 50 10 JKGE COc1ccc(-c2csc(C(C#N)=C(O)[C@H](C)Oc3ccc(Cl)cc3Cl)n2)cc1C 2331259956 ZAQPTBKEZPFHMD-ZDUSSCGKSA-N 461.370 6.694 50 10 JKGE CCOc1cc(C=C(C#N)c2nc(-c3ccccc3)cs2)ccc1OCc1ccccc1C 2331440460 WCCMDIDJEOPJMP-UHFFFAOYSA-N 452.579 7.160 50 10 JKGE COc1cc(C=C(C#N)c2nc(-c3ccc(C)cc3C)cs2)ccc1OCc1ccc(C)cc1 2331443311 LNIJGXIRVZFNKM-UHFFFAOYSA-N 466.606 7.387 50 10 JKGE COc1ccc(OC)c(-c2csc(C(C#N)=Cc3ccc(OCc4ccccc4Cl)cc3)n2)c1 2331450638 IKOMKVULEIZTKK-UHFFFAOYSA-N 488.996 7.124 50 10 JKGE CCOc1ccc(-c2csc(C(C#N)=Cc3cccc(OCc4ccccc4)c3)n2)c(OCC)c1 2331473823 GJRBUIWQDVMNOB-UHFFFAOYSA-N 482.605 7.251 50 10 JKGE CN(N=Cc1cccc(-c2cc(C(F)(F)F)cc(N(C)C)n2)c1)C(=O)c1ccc(Cl)cc1 2333250644 OXNSTMUHYOXXJR-UHFFFAOYSA-N 460.887 5.593 50 10 JKGE COc1c(Br)cc(C)c([C@@H](Cl)c2cscc2Br)c1Br 2339640120 UVQNAUWZPYTGHR-LBPRGKRZSA-N 489.454 6.681 50 10 JKGE Clc1ccc([C@@H](Br)Cc2ccc(Cl)c(Cl)c2)c(I)c1 2340057478 MRKNPPIMUDIORG-NSHDSACASA-N 490.393 6.930 50 10 JKGE COc1cc([C@H](Br)Cc2cc(Br)cc(Br)c2)sc1Cl 2340293795 NVVXZBIQASNJAI-SNVBAGLBSA-N 489.454 6.614 50 10 JKGE CC(C)(C)OC(=O)N1C[C@H](I)[C@@H](OCC2CCC(CC(F)(F)F)CC2)C1 2353238444 KRWYZCPNJCPATJ-WUCCLRPBSA-N 491.332 5.185 50 10 JKGE Cc1cc(Br)c([C@H](Br)[C@@H]2CC[C@@H]3C[C@H]2CO3)c(C)c1Br 2359124542 RYQRKHWWAJFUJX-XSUJLISDSA-N 467.039 6.080 50 10 JKGE FCC12CC([C@@H](Br)c3c(F)cc(Cl)c(Br)c3Cl)(CO1)C2 2360430371 XSVDGAQDENHHMC-HIFPTAJRSA-N 450.932 5.850 50 10 JKGE Fc1c(Br)cc(Cl)c([C@H](Br)C2(F)CC3(CCC3)C2)c1Br 2362222943 KOIKGKBFZRZLDZ-LBPRGKRZSA-N 493.411 7.113 50 10 JKGE Cc1ccc([C@@H](Br)c2c(Cl)cc(Br)c(F)c2Br)c(C)c1 2362229702 LRNUDCGWJXDDRN-CYBMUJFWSA-N 485.416 7.105 50 10 JKGE Clc1ccc(C[C@H]2CCCCCCCC[C@H]2Br)cc1I 2362435707 JBIDTRUOMZAUMN-HUUCEWRRSA-N 469.632 7.001 50 10 JKGE COc1ccc(Oc2cc(Cl)c(F)cc2CBr)cc1I 2362451472 HLSDFSYZOFRUCY-UHFFFAOYSA-N 471.491 5.780 50 10 JKGE COc1c(C)cc(Br)c(C)c1[C@H](Br)c1c(Br)ncn1C 2362494197 VHDWCSNSIPWQIH-NSHDSACASA-N 466.999 5.055 50 10 JKGE FC(F)CC1(CBr)CCN(Cc2sc(Cl)cc2Br)CC1 2372277052 BOLVRHOZFRUFKH-UHFFFAOYSA-N 451.602 5.796 50 10 JKGE Fc1cc(CBr)cc(F)c1OCc1cc(I)ccc1Cl 2380523792 VAKDLDRHRVARGA-UHFFFAOYSA-N 473.482 5.697 50 10 JKGE Cc1cc([C@H]2C(C#N)=C(N)N(c3cc([N+](=O)[O-])ccc3Cl)C3=C2C(=O)CCC3)c(C)s1 2501740 KWXRAACBLXWLQI-FQEVSTJZSA-N 454.939 5.231 50 10 JKGE COc1ccc2ccccc2c1/C=N/NC(=O)COc1ccc(C(C)(C)C)cc1Br 12403442 JPUHFEGXMOKYII-VULFUBBASA-N 469.379 5.438 50 10 JKGE CC[C@@H](Oc1ccc(-c2ccccc2)cc1)C(=O)NNC(=O)C(c1ccccc1)c1ccccc1 14768494 MGEPOTZLMOUNHO-HHHXNRCGSA-N 464.565 5.491 50 10 JKGE CCOC(=O)c1ccc(-c2ccc(/C=C(\C#N)c3nnc(NC(=O)c4ccccc4)s3)o2)cc1 20169015 NNGXYOKDOOGSIE-XMHGGMMESA-N 470.510 5.291 50 10 JKGE Cc1cc(SC(F)(F)[C@H](F)Cl)c(C)cc1NC(=O)NC(=O)c1c(F)cccc1F 31500178 VXBBMNJAOLLIKY-INIZCTEOSA-N 452.832 5.763 50 10 JKGE COc1ccc(/C(C#N)=C\c2cccc(OC(=O)[C@H](C)Oc3ccc(Cl)cc3Cl)c2)cc1OC 31902958 SLHRCVTWRYQLSM-YLRSXTQRSA-N 498.362 6.448 50 10 JKGE CCOc1ccc(NC(=O)/C(C#N)=C/c2cn(-c3ccccc3)nc2-c2ccc(Cl)cc2)cc1 33381993 XIQVKLGQROSNOE-CAPFRKAQSA-N 468.944 6.137 50 10 JKGE CCc1ccccc1NC(=O)n1c(/C(C#N)=C\c2cc(OC)ccc2OC)nc2ccccc21 33736576 YPQLSLBBZTXPDC-HKWRFOASSA-N 452.514 5.760 50 10 JKGE CCOc1ccc(/C=C(/C#N)C(=O)Nc2ncc(Cc3ccc(Cl)cc3Cl)s2)cc1 34827912 CMJUXCNCUPCBCM-SXGWCWSVSA-N 458.370 5.985 50 10 JKGE CCOc1cc(/C=C(/C#N)c2nc3ccccc3[nH]2)ccc1OCc1ccc(Cl)c(Cl)c1 34861599 QPRMLHQHAMGNRM-WQRHYEAKSA-N 464.352 6.912 50 10 JKGE CCCOc1cccc(C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@H]3c2ccc(SC)cc2)c1 38682523 QXEHWLARGUZDPG-VWLOTQADSA-N 472.566 5.635 50 10 JKGE CC(C)(C)c1ccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4cc5ccccc5oc4=O)ccc32)cc1 38687134 YXFBYQHNSRJDEI-AREMUKBSSA-N 492.531 5.528 50 10 JKGE CCc1ccc(Oc2nc3c(C)cccn3c(=O)c2/C=C(/C#N)C(=O)Nc2cc(C)ccc2C)cc1 39858658 IOTRVPHOWZRLNR-JWGURIENSA-N 478.552 5.520 50 10 JKGE CCc1ccc(NC(=O)c2oc3c(c2C)/C(=N/NC(=O)c2ccc(Cl)cc2Cl)CCC3)cc1 40813685 FXRYVLQYUMEAIM-ZTKZIYFRSA-N 484.383 6.180 50 10 JKGE Cc1c(C(=O)Nc2cccc(Cl)c2Cl)oc2c1/C(=N/NC(=O)c1cccs1)CCC2 40823719 AMNIMMYMCHLOFL-DHRITJCHSA-N 462.358 5.679 50 10 JKGE CCOc1cc(/C=C(\C#N)C(=O)NCc2ccco2)ccc1OC(=O)/C=C/c1ccc(Cl)cc1 40926711 USZMVFFWDQKCJK-PBSFTAHRSA-N 476.916 5.174 50 10 JKGE CC(C)Cc1ccc([C@H](C)C(=O)N/N=C2\C(=O)N(C/C=C/c3ccccc3)c3ccccc32)cc1 59165764 ASDQUMBCERNYBZ-WAGQGLFSSA-N 465.597 5.569 50 10 JKGE C=CCc1cc(/C=N/NC(=O)c2cc3ccccc3o2)cc(OC)c1OCc1cccc(C)c1 59304408 CELVAJQFZDVHKS-STBIYBPSSA-N 454.526 5.821 50 10 JKGE COc1cc(/C=C(/C#N)C(=O)Nc2ccc(C)cc2)c(Br)cc1OCc1ccccc1F 59335393 WDYUDFNMZOVNTB-ODLFYWEKSA-N 495.348 6.030 50 10 JKGE O=[N+]([O-])c1cc(Br)c(OCC2(CBr)CCC2)c(Br)c1 96870705 DXRKMLQPWSRCEW-UHFFFAOYSA-N 457.944 5.064 50 10 JKGE CCC[C@@H](CBr)COc1c(Br)cc(Br)cc1Br 96871032 UAJCYGRXAUTXGO-QMMMGPOBSA-N 493.859 6.164 50 10 JKGE CCOc1cccc(NC(=O)/C(C#N)=C\c2ccc(COc3ccc(Cl)c(Cl)c3)c(OC)c2)c1 97499159 QLWYBTXIDHZOHY-ODLFYWEKSA-N 497.378 6.525 50 10 JKGE CCN(CC)C(=O)Oc1ccc2c(ccn2Cc2ccc(C)cc2)c1NC(=O)C(Cl)Cl 97941670 GDIDKHFFIKRIDY-UHFFFAOYSA-N 462.377 5.581 50 10 JKGE Fc1cc(C(Br)Br)c(C(Br)Br)cc1F 100947312 ZIVLXXZEFNLDAE-UHFFFAOYSA-N 457.732 5.542 50 10 JKGE COc1cc(/C=C(/C#N)C(=O)Nc2cccc(SC)c2)c([N+](=O)[O-])cc1OCc1ccccc1 101419929 CRKDYSQVJRYGDN-ODLFYWEKSA-N 475.526 5.450 50 10 JKGE COc1c(Br)cc(Cl)cc1[C@H](Br)c1ccc(Cl)c(Cl)c1 109836664 KXUQAPKUNNQEFN-CYBMUJFWSA-N 459.392 6.902 50 10 JKGE BrCC(CBr)(CCc1ccsc1)c1ccc(Br)cc1 118671787 WOADKSANRLNSIU-UHFFFAOYSA-N 467.064 6.171 50 10 JKGE CC(C)c1ccc([C@H](Br)c2cc(Br)c(Br)s2)cc1 128244569 DNJCFWGQGGQMNR-ZDUSSCGKSA-N 453.037 6.881 50 10 JKGE CCOc1ccc(Br)cc1[C@@H](Br)c1ccc(Br)c(Cl)c1 129176764 JLXHIINRSVVULI-HNNXBMFYSA-N 483.425 6.748 50 10 JKGE O=C(N[C@H]1CCCCC[C@@H]1Br)c1cc(Br)c(Br)s1 136177838 BVOZSSJTXOHVQZ-CBAPKCEASA-N 460.029 5.099 50 10 JKGE Clc1ccccc1C(CBr)(CBr)Cc1ccc(Br)cn1 169004284 GEVLAHYRBRQNQF-UHFFFAOYSA-N 482.441 5.768 50 10 JKGE CC[C@@]1(C)[C@@H](Oc2c(I)cc(Cl)c3cccnc23)C[C@H]1Br 227239499 YWCMURWPHGBESL-DVOMOZLQSA-N 480.571 5.824 50 10 JKGE Brc1cc(Br)cc([C@H](Br)c2ccc3c(c2)CCCO3)c1 232453652 IQOHWUZNLDSTDJ-MRXNPFEDSA-N 460.991 6.021 50 10 JKGE COc1ccc([C@H](Br)c2ccc(F)cc2I)cc1Br 234999709 DFNIAAYYQLGFKW-AWEZNQCLSA-N 499.943 5.686 50 10 JKGE CC(=NNC(=O)c1cc(-c2ccc(Cl)cc2)nc2ccccc12)c1cccc(NC(=O)C(C)(C)C)c1 252590402 ASUWXGAAWNZBMM-UHFFFAOYSA-N 499.014 6.694 50 10 JKGE C[C@@H](Oc1ccccc1Br)C(=O)NN=Cc1cn(-c2ccccc2)nc1-c1ccccc1 252628003 SGDBLLJKEVSKIJ-GOSISDBHSA-N 489.373 5.219 50 10 JKGE O=C(CSc1nnc(SCc2ccccc2)s1)NN=Cc1cccc2ccccc12 254858936 YLEMRNZDZYPKOX-UHFFFAOYSA-N 450.614 5.226 50 10 JKGE Cc1ccc(-c2nnc(SCC(=O)NN=Cc3ccc(C(C)(C)C)cc3)n2C2CCCCC2)cc1 254924695 YCSPVINFRNPZDY-UHFFFAOYSA-N 489.689 6.299 50 10 JKGE ClP1(Br)=NP(Cl)(Br)=NP(Cl)(Br)=N1 263632928 IQZOEXNRIFPZGP-UHFFFAOYSA-N 481.014 7.740 50 10 JKGE Cc1cccc([C@@H](Br)c2cc3c(cc2Br)OCC3)c1Br 308413211 JBMUMNDVLZOGKQ-MRXNPFEDSA-N 460.991 5.939 50 10 JKGE CCCCCCCCOc1c(Br)cc(Br)cc1CBr 311803916 FGTWTGGFCVPPHQ-UHFFFAOYSA-N 457.044 6.846 50 10 JKGE Cc1ccc(C[C@@H](CBr)Cc2ccc(Br)cc2)cc1Br 313697751 WSGPNOGRRXFLMD-HNNXBMFYSA-N 461.035 6.316 50 10 JKGE O=C(OCc1ccccc1)N1C[C@@H](CI)[C@H](c2cc(Cl)cc(Cl)c2)C1 382693226 QRRBTGUKNFCDBP-QAPCUYQASA-N 490.168 5.781 50 10 JKGE Brc1cccc([C@@H]2CN(Cc3ccccc3)C[C@@H]2CI)c1 382699198 WAEOOIUFKWDUCP-WMZOPIPTSA-N 456.165 5.100 50 10 JKGE CC(C)(C)OC(=O)N1CCC[C@@](CI)(O[C@H]2C[C@H]3CC[C@@]2(C)C3(C)C)C1 387936293 BMNKTXGUQWQONL-XTCWOQMQSA-N 477.427 5.423 50 10 JKGE CN(C(=O)OC(C)(C)C)c1ccccc1[C@@H]1COCCN1CCO[Si](C)(C)C(C)(C)C 616603542 XYDMEWALWUDXPN-NRFANRHFSA-N 450.696 5.453 50 10 JKGE CC(C)(C)[Si](C)(C)OCCc1ccc([C@H]2CCCN(S(=O)(=O)c3ccccc3)C2)cc1 616617802 LGZBTCNNAHSIFL-QHCPKHFHSA-N 459.728 5.819 50 10 JKGE CN1/C(=C\C=NNC(=O)c2ccc(CSc3nc4ccccc4[nH]3)cc2)C(C)(C)c2ccccc21 886007216 XJJMHVXNAMEFIH-MOCANOCESA-N 481.625 5.882 50 10 JKGE O=C(Cl)/C=C\c1cc(Cl)c(OCc2cccc(Br)c2)c(Br)c1 1081481185 OGVIMPPPQCIFCW-PLNGDYQASA-N 464.968 6.223 50 10 JKGE Cc1cc(/C=C(\C#N)C(=O)Nc2cccc(Cl)c2Cl)c(C)n1-c1ccc(F)c(Cl)c1 1084151250 CTKCUPRNQLPIES-OQLLNIDSSA-N 462.739 6.739 50 10 JKGE CCCCCCCCCCOc1ccc(C(=O)NN=Cc2cccc(Br)c2)cc1 1084383854 VKRXMUNOYXGAQN-UHFFFAOYSA-N 459.428 6.733 50 10 JKGE C=CCc1cc(C=NNC(=O)CC[C@H](O)c2ccccc2)cc(OCC)c1OCc1ccc(F)cc1 1084411438 BWHFXSGILYTXFU-SANMLTNESA-N 490.575 5.496 50 10 JKGE CCOc1cc(C=NNC(=O)CCSc2ccccc2)ccc1OCc1ccc(Cl)cc1 1084468704 HANKYBRXGDHLBV-UHFFFAOYSA-N 469.006 5.950 50 10 JKGE CCCc1nn(Cc2ccc(Cl)c(Cl)c2)c2c1[C@@H](c1ccccc1F)C(C#N)=C(N)O2 1865681022 CPRVCMUTCRODQW-FQEVSTJZSA-N 457.336 5.548 50 10 JKGE N#CC1=C(N)Oc2c(c(C(F)(F)F)nn2-c2cccc(Cl)c2)[C@@H]1c1cccc(Cl)c1 1865683501 LEQVKKULNVUDGJ-OAHLLOKOSA-N 451.235 5.416 50 10 JKGE CCCc1nn(-c2ccc(Cl)cc2)c2c1[C@H](c1cc(Br)ccc1O)C(C#N)=C(N)O2 1865695293 BGQGDGCPTIKNAQ-LJQANCHMSA-N 485.769 5.164 50 10 JKGE COc1ccc(-c2nn(-c3ccc(Cl)cc3)c3c2[C@H](c2ccc(C(=O)O)cc2)C(C#N)=C(N)O3)cc1 1865709122 OHVWDOPGHZGVQA-JOCHJYFZSA-N 498.926 5.118 50 10 JKGE COc1ccc(-c2nn(-c3ccccc3Cl)c3c2[C@H](c2ccccc2C)C(C#N)=C(N)O3)cc1 1865712520 APRBAWKQGKTCBH-HSZRJFAPSA-N 468.944 5.728 50 10 JKGE Cc1cccc(-n2nc(C(=O)N[C@H](Cc3ccccc3)C(=O)Nc3ccc(SC#N)cc3)cc2C)c1 1866847986 XCADYHFICPKUSY-RUZDIDTESA-N 495.608 5.042 50 10 JKGE CCOc1ccc(OCC)c(-c2csc(/C(C#N)=C(\O)COc3ccc(Cl)cc3)n2)c1 1872755052 WBGSSSROQQVPJD-VZCXRCSSSA-N 456.951 6.133 50 10 JKGE CCOc1ccc(CC/C(O)=C(\C#N)c2nc(-c3cc(C)c(Cl)cc3OC)cs2)cc1OC 1872757246 WTIJMFVRJNJBJM-UZYVYHOESA-N 485.005 6.613 50 10 JKGE N#C/C(=C\c1cccc(OCc2ccccc2)c1)c1nc(-c2ccc(Cl)cc2Cl)cs1 1872781959 ZEBOUSKJLIBQJZ-YBFXNURJSA-N 463.389 7.760 50 10 JKGE CCOc1cc(/C=C(\C#N)c2nc(-c3ccc(F)c(C)c3)cs2)ccc1OCC(=O)N(CC)CC 1872790763 DCFJHGWFMDZEJB-FYJGNVAPSA-N 493.604 5.968 50 10 JKGE CCCCCOc1ccc(/C=C(\C#N)c2nc(-c3cccc4ccccc34)cs2)cc1OCC 1872792220 MDRSUASYNDIRHF-HAVVHWLPSA-N 468.622 7.995 50 10 JKGE CC(C)c1ccccc1O[C@@H](C)/C(O)=C(\C#N)c1nc(-c2ccc(-c3ccccc3)cc2)cs1 1873940668 BWSPYOZISRDKOK-QSPIDWHTSA-N 466.606 7.861 50 10 JKGE CCOc1cc(/C(O)=C(\C#N)c2nc(-c3cccc([N+](=O)[O-])c3)cs2)cc(OCC)c1OCC 1873940973 PYLVEONDLYMPPN-PYCFMQQDSA-N 481.530 5.864 50 10 JKGE FC(F)(CBr)[C@@H]1CCN(Cc2ccc(Br)cc2Br)C1 1892733228 UBDORUFDTXICBB-SNVBAGLBSA-N 461.970 5.064 50 10 JKGE Cl[C@H](c1csc(Br)c1)c1ccc(OCc2ccccc2)cc1Br 1899862506 UITYQNGOHKVYMG-GOSISDBHSA-N 472.629 7.180 50 10 JKGE C[C@H]1C[C@@H](n2c(CCl)nc3c(Br)cc(F)cc32)CCN1Cc1ccccc1 1912674855 UFRKAKSKISXMNS-YOEHRIQHSA-N 450.783 5.902 50 10 JKGE Cc1c(Br)sc([C@@H](Br)c2ccc(C(F)(F)F)o2)c1Br 1922928862 DFEKUXKIFUNUAJ-QMMMGPOBSA-N 482.941 6.678 50 10 JKGE Cc1c(Br)sc([C@@H](Cl)c2ccc(Br)cc2Cl)c1Br 1922945840 LBJUGBSXMSGZFV-JTQLQIEISA-N 493.873 7.326 50 10 JKGE Cc1cc(Cl)cc([C@H](Br)c2sc(Br)c(C)c2Br)c1 1922953532 DXHMBZIBSCEELQ-NSHDSACASA-N 473.455 7.028 50 10 JKGE CC(C)([C@@H](Br)c1c(Br)sc(Br)c1Cl)S(C)(=O)=O 1923050637 XSSVQPUSBGFAKN-LURJTMIESA-N 489.476 5.186 50 10 JKGE C[C@H](C[C@H](Br)c1c(Br)sc(Br)c1Cl)CC(C)(C)C 1923054419 FHVCVTHSVQSZEJ-SFYZADRCSA-N 481.519 7.825 50 10 JKGE C[C@H]([C@@H](Br)c1c(Br)sc(Br)c1Br)C(C)(C)C 1924604896 JSJRKEVBIRCPAM-IYSWYEEDSA-N 497.916 7.154 50 10 JKGE CC(F)(F)CC[C@@H](Cl)c1c(Br)sc(Br)c1Br 1924612050 ISHSQCLSYZYECM-SCSAIBSYSA-N 461.391 6.751 50 10 JKGE Clc1sc(Br)c(Cl)c1[C@H](Br)c1ncsc1Br 1925621728 NZTOCISAEDPZAM-VKHMYHEASA-N 486.863 6.521 50 10 JKGE CN(c1c(CBr)ccc(Br)c1Cl)[C@H]1CC[C@H]1OCc1ccccc1 1950438282 WPTPMSHBIOYGNG-DLBZAZTESA-N 473.636 6.181 50 10 JKGE Clc1sc([C@@H](Br)c2c(Cl)sc(Cl)c2Cl)cc1Br 2004902845 QXCLCVYWRKTROB-RXMQYKEDSA-N 475.869 7.670 50 10 JKGE BrCc1ccc(Br)cc1N1C[C@@H]2CCN(Cc3ccccc3)[C@H]2C1 2015070549 YSMBJDIFJMQKGU-PXNSSMCTSA-N 450.218 5.055 50 10 JKGE Cc1cc([C@@H](Br)c2ccc(Br)cc2Br)oc1Br 2024283159 NUKINBITPSDYSA-NSHDSACASA-N 487.811 6.360 50 10 JKGE C=CCN1C(c2ccc(Br)cc2)=CSC1=C(C#N)c1nnc2n1CCCCC2 2042453287 ABIZACQHQWOGFM-UHFFFAOYSA-N 454.397 5.193 50 10 JKGE CCc1cc(Br)c([C@@H](Br)c2c(Br)nn(C)c2C)s1 2067855424 RTQOVEFWXSPDKI-JTQLQIEISA-N 457.029 5.362 50 10 JKGE CC(C)(C)OC(=O)NCCCN(CC1CC(Br)C1)c1cccc(Br)c1 2076253447 RITCPRDGHABKQK-UHFFFAOYSA-N 476.253 5.344 50 10 JKGE Cc1cc(Cl)c(Br)cc1[C@H](Br)c1ccc(OCc2ccccc2)cc1 2082380406 UDBYDOQPMLOYQO-OAQYLSRUSA-N 480.627 7.474 50 10 JKGE CC(C)Cc1ccc([C@H](Br)c2ccc(I)c(Cl)c2)s1 2087333176 QZYBBUBQUNUDMU-OAHLLOKOSA-N 469.613 6.689 50 10 JKGE C[C@H](Br)C12CCC(CC1)N2C(=O)c1scc(Br)c1Br 2097064630 JRVSNZVSJQSKNR-DWHFKYGWSA-N 472.040 5.194 50 10 JKGE O=C(OCc1ccccc1)N1CCC2(CC1)CCN2C[C@@H](CBr)c1ccccc1 2106785013 MXOKYUNWMFMHPR-JOCHJYFZSA-N 457.412 5.042 50 10 JKGE C[C@@H](Cl)c1nc2cc(Cl)c(Br)cc2n1[C@@H]1CCN(Cc2ccccc2)C1 2112690464 FRHMZDLSOGDFDL-UKRRQHHQSA-N 453.211 6.199 50 10 JKGE CCc1nc([C@H](Br)c2cc(C)c(Br)cc2C)c(Br)s1 2113183871 XMAFDFKRNDASSE-GFCCVEGCSA-N 468.052 6.332 50 10 JKGE C[C@@H](CCCCCI)NC(=O)c1cccc(Br)c1Cl 2117891857 BDEIEPJVYDDWPE-JTQLQIEISA-N 458.565 5.216 50 10 JKGE BrC[C@H]1CCN(Cc2ccc(Br)cc2Br)C12CCC2 2133812437 TTZUFBKFDUSESK-GFCCVEGCSA-N 452.028 5.351 50 10 JKGE Cc1c(Br)ccc([C@H](Br)C23CCC(CC2)OC3)c1Br 2138853517 WKAADJZQJOVEGW-CUMGRINNSA-N 453.012 5.915 50 10 JKGE CCc1nn(C)c([C@@H](Cl)c2ccc(Br)cc2Br)c1Br 2138867760 YMGKKILUBFTHRD-LBPRGKRZSA-N 471.418 5.598 50 10 JKGE COc1cc(Br)c(C)cc1[C@@H](Br)c1ccc(C)cc1Br 2145959528 CIYCDUQEZKETNZ-INIZCTEOSA-N 463.007 6.321 50 10 JKGE Brc1scc([C@H](Br)Cc2ccc3ccccc3c2)c1Br 2150341387 BMIBLMSXZGPNCC-CQSZACIVSA-N 475.043 7.105 50 10 JKGE FC1(F)C[C@]12CCC[C@@H]([C@@H](Cl)c1c(Br)sc(Br)c1Cl)C2 2156117660 SSVAUOGUQDGFMA-SLOVDRIHSA-N 469.016 7.422 50 10 JKGE CCOc1ccc([C@@H](Br)c2cc(I)sn2)cc1OCC 2176541384 YRNYBTRPDKTMAY-CQSZACIVSA-N 468.154 5.029 50 10 JKGE BrCc1cc(Br)c(OCC23CCC(CC2)CC3)c(Br)c1 2184969089 JIWBSAJNIMJXKY-UHFFFAOYSA-N 467.039 6.456 50 10 JKGE O=C(c1cscc1OCc1ccccc1)N1CCC(CBr)(CC(F)F)CC1 2188333973 FEZZHSYXPYEDEW-UHFFFAOYSA-N 458.368 5.600 50 10 JKGE Cc1cc(Br)c(C)c([C@@H](Br)C2CCC3(CC2)CC3)c1Br 2201062873 QGXUHDMFONWQQO-INIZCTEOSA-N 465.067 7.235 50 10 JKGE Cc1sc([C@H](Br)c2sc(C)c(Br)c2C)cc1Br 2213746749 ODMBDIVCRZARIC-NSHDSACASA-N 459.066 6.744 50 10 JKGE COc1ccc([C@@H](Br)c2cc(Br)c(C)s2)c(Br)c1 2218971023 VQLLLINWGJWZJM-CYBMUJFWSA-N 455.009 6.074 50 10 JKGE Cc1c(Br)sc([C@H](Br)[C@H]2CCCC(C)(C)O2)c1Br 2219700305 JSYYYLYXWMVXEO-PSASIEDQSA-N 461.057 6.365 50 10 JKGE Cc1sc([C@H](Cl)c2cc(Br)ccc2Br)c(Br)c1C 2221823009 FYDZHXKKQVWBHE-GFCCVEGCSA-N 473.455 6.981 50 10 JKGE CC(C)C[C@@H](C(C)C)[C@@H](Br)c1cc(Br)c(Br)cc1F 2225614888 AJTFJYLADJUXIY-ZUZCIYMTSA-N 459.035 7.105 50 10 JKGE Cc1ccc(I)c([C@@H](Br)c2cc(Cl)c(F)cc2C)c1 2232221778 CUFNTVLKGHRLOT-HNNXBMFYSA-N 453.520 6.185 50 10 JKGE Cc1c([C@H](Cl)c2c(Br)cc(Cl)c(Cl)c2Cl)nn(C)c1Br 2232510880 ISJAZMRARLBVQR-SNVBAGLBSA-N 481.830 6.542 50 10 JKGE FC(F)(F)[C@@H]1CC[C@H]1[C@H](Br)c1cc(I)cc2c1OCC2 2232577237 NYTWZPQYINLHJD-JLLWLGSASA-N 461.059 5.251 50 10 JKGE CCOCc1cc(Br)c([C@@H](Cl)c2ccc(Br)cc2Cl)s1 2233035464 LMBHVZBXWTVNNU-ZDUSSCGKSA-N 459.030 6.791 50 10 JKGE Fc1cc(Br)c(Br)cc1[C@H](Br)[C@@H]1[C@H]2CCCC(F)(F)[C@@H]21 2233974302 DSBYHKHKSBJXNV-JRSMDPTOSA-N 476.956 6.468 50 10 JKGE O=C(c1scc(Br)c1Br)N1C[C@H]2CCCC[C@@]2(CBr)C1 2238793554 FFJLFUCLCFAAFO-YMTOWFKASA-N 486.067 5.300 50 10 JKGE COc1ccc([C@@H](Br)[C@H](C)c2ccncc2Br)c(Br)c1 2240825128 JKJKPZZGJTWLGV-PSLIRLAXSA-N 463.995 5.855 50 10 JKGE Fc1cc([C@@H](Cl)c2cc(Br)sc2Br)c(Cl)cc1Br 2255970462 VNUKNUNKMOZMSP-SNVBAGLBSA-N 497.836 7.156 50 10 JKGE COc1cc(F)c(Br)cc1[C@@H](Br)c1scc(Br)c1Cl 2264597736 UMHYCHPCEKRBAR-SNVBAGLBSA-N 493.417 6.559 50 10 JKGE Fc1cc(Br)c(F)c(Br)c1[C@@H](Br)C[C@H]1C[C@H]2C[C@H]2C1 2272723617 ZXYLIQBQHLUBPK-MAUMQABQSA-N 458.966 6.362 50 10 JKGE C[C@@H]1C[C@H]([C@H](Br)c2c(F)cc(Br)c(F)c2Br)[C@@H](C)O1 2272739567 MURJHJFOHPDDCQ-MNRJBDMISA-N 462.954 5.739 50 10 JKGE FC1(F)CC[C@@H]2[C@H]([C@H](Br)Cc3cc(Br)cc(Br)c3)[C@H]21 2277946944 FNKDFZYVPSYWHR-LPWJVIDDSA-N 458.966 5.809 50 10 JKGE Fc1c(Br)cccc1[C@H](Br)c1cc2sc(Br)cc2s1 2278025516 VWGFJKWXXIQPNN-LBPRGKRZSA-N 485.035 7.111 50 10 JKGE Cc1cc(Br)c([C@H](Br)c2c(Br)nn(C)c2C)c(C)c1F 2279148227 CXFYMOXZVYUJEA-LBPRGKRZSA-N 468.990 5.494 50 10 JKGE O=C(Nc1ccc(Cl)cc1CBr)c1ccc(Cl)c(I)c1 2283661430 GOZUIHAZHOTYHQ-UHFFFAOYSA-N 484.946 5.745 50 10 JKGE COc1c([C@H](Br)c2c(C)c(Br)cc(C)c2Br)csc1C 2287319668 JFPIDBULRQTVJB-AWEZNQCLSA-N 483.063 6.691 50 10 JKGE Fc1cc(Br)c(F)c(Br)c1[C@H](Br)C[C@H]1C[C@H]2CC[C@H]1C2 2288373358 IGSCGQHIEBUZJV-AXTSPUMRSA-N 472.993 6.752 50 10 JKGE CS(=O)(=O)c1cscc1[C@H](Br)c1cc(Br)c(Cl)cc1F 2288501531 SPVDYANHQHPVBP-GFCCVEGCSA-N 462.587 5.191 50 10 JKGE CN(C)c1ccc(C=C(C#N)C(=O)Nc2nc(-c3ccc(Br)cc3)cs2)cc1 2293152795 UXPHAHABLWVIIB-UHFFFAOYSA-N 453.365 5.184 50 10 JKGE COc1ccc(-n2c(C)cc(C=C(C#N)C(=O)Nc3cc(Cl)ccc3C)c2C)c([N+](=O)[O-])c1 2294168395 IYDFTRGVQGIENU-UHFFFAOYSA-N 464.909 5.518 50 10 JKGE CCOC(=O)c1ccc(-c2ccc(C=C(C#N)c3nnc(NC(=O)c4ccccc4)s3)o2)cc1 2297616997 NNGXYOKDOOGSIE-UHFFFAOYSA-N 470.510 5.291 50 10 JKGE Brc1ccc(OCc2ccccc2)c([C@H](Br)[C@@H]2C[C@@H]3C[C@@H]3CO2)c1 2299505090 SWFVQCDSLJXWFQ-VZJWBNGJSA-N 452.186 5.889 50 10 JKGE Brc1ccc(OCc2ccccc2)c([C@@H](Br)C23CCC(CC2)C3)c1 2299529666 FBYJRDXWKMVPEB-VZDHWGDASA-N 450.214 7.044 50 10 JKGE CC1(C)[C@H](Br)C[C@H]1OCc1cc(I)ccc1Br 2302812785 AXSDYICVLLYOQN-VXGBXAGGSA-N 473.974 5.132 50 10 JKGE Brc1cc(OCc2ccccc2)ccc1[C@H](Br)[C@H]1C[C@@H]2CC[C@H](C1)O2 2314442860 DIMRADRQLCFGER-LAVAIGHBSA-N 466.213 6.422 50 10 JKGE CCc1ccc(N2C(=O)[C@@H](Cc3ccccc3F)SC2=C(C#N)C(=O)Nc2ccccc2)cc1 2314593809 TZRDBIWXICZUBK-XMMPIXPASA-N 471.557 5.453 50 10 JKGE CCCCCCCCOc1ccc(C=C2C(=O)N(C3CCCCC3)C(=O)C(C#N)=C2C)cc1OC 2314616533 CXMHPYZFIDAIEG-UHFFFAOYSA-N 478.633 6.359 50 10 JKGE C[C@H](Oc1ccc(C(C)(C)C)cc1)C(=O)Oc1ccc(C=C(C#N)C(=O)NCc2ccco2)cc1 2314771081 SHUFYMREDUWJLU-IBGZPJMESA-N 472.541 5.173 50 10 JKGE CCCc1sc(Br)cc1[C@@H](Br)c1scc(Br)c1Cl 2316172043 FBKVAQKJFPRLLD-SNVBAGLBSA-N 493.511 7.425 50 10 JKGE COc1cccc(F)c1[C@@H](Br)c1sc(Cl)cc1I 2316598313 BMPAGDHEMWCIFH-LLVKDONJSA-N 461.521 5.638 50 10 JKGE CCc1nn(C)c([C@H](Cl)c2sc(Cl)cc2I)c1Br 2316767985 VEZAUUYVXMSWGC-VIFPVBQESA-N 479.996 5.393 50 10 JKGE ClCc1nc(Oc2cc(Br)cc(I)c2)ncc1Cl 2316853639 VHJSYFLMXWSNQJ-UHFFFAOYSA-N 459.896 5.028 50 10 JKGE CCN(C[C@](C)(CI)OC[C@@H]1CC[C@@H]1C(C)(C)C)C(=O)OC(C)(C)C 2320182335 OMOKRZDENVMCRG-FTRWYGJKSA-N 467.432 5.526 50 10 JKGE COc1ccc(-c2ccc(C(=O)NN=Cc3ccc(OCc4ccccc4)c(OC)c3)c(C)n2)cc1 2321218453 QQWDRRWDXGHQPT-UHFFFAOYSA-N 481.552 5.417 50 10 JKGE CCOC(=O)c1cnn(-c2cc(C)c3cc(C)cc(C)c3n2)c1NC(=O)C(C#N)=Cc1ccccc1 2322542514 VGWMQYCXAHKYNB-UHFFFAOYSA-N 479.540 5.068 50 10 JKGE C[C@H]1C[C@@H](Br)CCN(Cc2ccc(I)c(Br)c2)C1 2325225754 IRKPDYXWJNCZHN-JQWIXIFHSA-N 487.017 5.049 50 10 JKGE N#CC(=C(O)Cc1cc(Cl)ccc1Cl)c1nc(-c2ccc(Cl)c(Cl)c2)cs1 2331311385 ZETZIUAMHBWTRB-UHFFFAOYSA-N 456.181 7.459 50 10 JKGE C[C@H](c1ccccc1)N1C[C@H](C(O)=C(C#N)c2nc(-c3c[nH]c4ccccc34)cs2)CC1=O 2331347151 ZOWRUBBFRXIPGP-SJLPKXTDSA-N 454.555 5.694 50 10 JKGE COc1ccc(C(C)(C)C)cc1-c1csc(C(C#N)=C(O)c2ccccc2Br)n1 2331349463 UXTQCAPPPVTMAK-UHFFFAOYSA-N 469.404 6.829 50 10 JKGE CCCc1ccc(OCC(O)=C(C#N)c2nc(-c3cc(C(C)C)c(OC)cc3C)cs2)cc1 2331356023 GAKMGQLFWLGJHO-UHFFFAOYSA-N 462.615 7.075 50 10 JKGE N#CC(=C(O)C=Cc1ccc(Cl)cc1Cl)c1nc(-c2ccc(Oc3ccccc3)cc2)cs1 2331358832 SJCGDJNGHDYKCC-UHFFFAOYSA-N 491.399 8.415 50 10 JKGE CCc1cccc(C)c1N1C[C@H](C(O)=C(C#N)c2nc(-c3ccc(OC)c(C)c3C)cs2)CC1=O 2331362214 JRPVEXKNGYBHSK-HXUWFJFHSA-N 487.625 6.152 50 10 JKGE COc1cc(-c2csc(C(C#N)=Cc3c(OC)ccc4ccccc34)n2)c(OC)cc1Cl 2331471233 YWWSNRUVLFHRRA-UHFFFAOYSA-N 462.958 6.707 50 10 JKGE Brc1cc(OCc2ccccc2)ccc1[C@@H](Br)[C@H]1C[C@H]2COC[C@H](C2)C1 2336043412 FEFUDWBFKDLTOX-SUWCGCSTSA-N 480.240 6.527 50 10 JKGE Brc1cc(OCc2ccccc2)ccc1[C@H](Br)[C@@]12CCCC[C@@H]1CCC2 2336053775 LXEXRLIRNCEWAP-YFXJRYMSSA-N 478.268 7.825 50 10 JKGE Cn1ncc2cc([C@H](Br)c3ccc(OCc4ccccc4)cc3Br)sc21 2336079719 VKFOSHSIYLERII-LJQANCHMSA-N 492.236 6.461 50 10 JKGE Cc1nc(Br)c([C@@H](Br)c2ccc(F)c(Br)c2F)n1C 2337280395 DOSJQVAMVOECDR-QMMMGPOBSA-N 458.926 5.016 50 10 JKGE Cc1cc(F)c([C@@H](Br)c2ccc(Cl)cc2I)cc1Cl 2340064269 FDCAQJOWCWKARH-AWEZNQCLSA-N 473.938 6.530 50 10 JKGE CC(C)(C)OC(=O)N1CCC[C@](CI)(OCCC2CCCCCCC2)C1 2342138809 NNDFIBGILNZKJJ-OAQYLSRUSA-N 479.443 5.958 50 10 JKGE C[C@@H]1CC2CC([C@@H](Br)c3cc(Br)c(Br)cc3F)(C2)O1 2342312503 FOXBWUOMFWFDHW-FJSYNQMHSA-N 456.975 5.744 50 10 JKGE Brc1cc2c(cc1[C@@H](Br)c1cnsc1Br)CCCO2 2343589372 VSERODRZNOAJJK-GFCCVEGCSA-N 468.008 5.477 50 10 JKGE CCC1(CC)[C@@H](Cl)C[C@@H]1OCc1ccc(I)c(Br)c1 2350060771 ONIDKOJICAIWMW-KBPBESRZSA-N 457.577 5.756 50 10 JKGE COc1c([C@@H](Br)c2c(F)cc(Cl)c(Br)c2Cl)csc1Cl 2360484759 VMABTUYZOVTODJ-MRVPVSSYSA-N 483.411 7.103 50 10 JKGE FC(F)(F)C1([C@@H](Cl)c2ccc(OCc3ccccc3)cc2Br)CCCCC1 2361174542 YHEBOUYHFIYHCV-IBGZPJMESA-N 461.749 7.821 50 10 JKGE COc1ccc(CBr)c(OCc2cc(Br)cc(Br)c2)n1 2362211150 NCZNYJOMBFWCBN-UHFFFAOYSA-N 465.967 5.089 50 10 JKGE CC(F)(F)C1([C@@H](Cl)c2c(Cl)cc(Br)c(F)c2Br)CCC1 2362249185 AFPVCJMXKYQHBP-NSHDSACASA-N 454.939 7.110 50 10 JKGE FC(F)(F)c1ccc(C[C@@H](Br)c2sc(Cl)cc2I)cc1 2363890980 FFMIIEIKRVLCGI-SECBINFHSA-N 495.529 6.704 50 10 JKGE Cc1cccc(Br)c1[C@H](Cl)c1c(C)cc(Br)c(F)c1Br 2365189223 SJPIGWGUNBPBSA-AWEZNQCLSA-N 485.416 7.058 50 10 JKGE Cc1ccc(Br)cc1[C@H](Cl)c1c(C)cc(Br)c(F)c1Br 2365224015 SXXQLQVZKTTXME-AWEZNQCLSA-N 485.416 7.058 50 10 JKGE N#C/C(=C/c1ccccc1OCc1ccccc1Cl)C(=O)Nc1cc(Cl)cc(Cl)c1 3232111 ZVPLSPGZUPGTPW-MFOYZWKCSA-N 457.744 6.771 50 10 JKGE CCOC(=O)c1c(NC(=O)/C(C#N)=C/c2ccc(-c3ccc(Cl)c(Cl)c3)o2)sc(C)c1C 14151233 SZVOWQWLHCKFBQ-OQLLNIDSSA-N 489.380 6.654 50 10 JKGE CCc1ccccc1N/C(SCc1cccc(Cl)c1)=C(/C#N)S(=O)(=O)c1ccccc1 20325382 CKLZBAZLYJVKAW-WCWDXBQESA-N 469.031 6.414 50 10 JKGE CCOC(=O)c1c(-c2ccc(CC)cc2)csc1NC(=O)/C(C#N)=C\c1ccc(OCC)cc1 33672605 GMXBOLSZALOZQO-QNGOZBTKSA-N 474.582 6.099 50 10 JKGE CC1=C(C#N)c2nc(N)c(C#N)c(C)c2/C1=C/c1cn(Cc2ccccc2C#N)c2ccccc12 33674380 WPMCMJMNBHMRHI-FOKLQQMPSA-N 452.521 5.570 50 10 JKGE CN(C)c1ccc(/C=C(/C#N)C(=O)c2ccc(-n3nncc3C34CC5CC(CC(C5)C3)C4)cc2)cc1 34855880 FEKCAMCFCVBROT-QFEZKATASA-N 477.612 5.591 50 10 JKGE Cc1cc(Oc2nc3ccccn3c(=O)c2/C=C(/C#N)c2nc3ccccc3[nH]2)ccc1Cl 35314423 KTECYUHMYYZZEN-SSZFMOIBSA-N 453.889 5.389 50 10 JKGE C[C@H](Oc1ccccc1F)C(=O)Oc1ccc2c(c1)OC(N)=C(C#N)[C@H]2c1cccc(Cl)c1 38651207 JYKJEKSENCERNN-PSLXWICFSA-N 464.880 5.070 50 10 JKGE CCCOc1ccccc1[C@@H]1C(C#N)=C(N)Oc2cc(OC(=O)c3ccc(OCC(C)C)cc3)ccc21 38681644 DXKCSXVYTVWEFH-NDEPHWFRSA-N 498.579 5.948 50 10 JKGE COc1cccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4oc5ccccc5c4C)ccc32)c1OC 38688636 XVLYSJWVVYJLOS-XMMPIXPASA-N 482.492 5.196 50 10 JKGE COc1ccc(C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@@H]3c2cccc(OCCC(C)C)c2)cc1 40529970 YDHHLIMRZDHGPH-HHHXNRCGSA-N 484.552 5.557 50 10 JKGE Cc1c(C(=O)Nc2cccc(Cl)c2Cl)oc2c1/C(=N/NC(=O)c1cccc(Cl)c1)CCC2 40813338 NAVIZDWBUTULCL-LQKURTRISA-N 490.774 6.271 50 10 JKGE Cc1cc(-n2c(C)cc(/C=N\NC(=O)CC[C@@H](O)c3ccccc3)c2C)ccc1Br 58890772 FGIZJDQDPJROQE-GGIMQYPNSA-N 468.395 5.129 50 10 JKGE COc1ccc(OC)c(NC(=O)/C(C#N)=C\c2ccc(COc3cccc(C(F)(F)F)c3)o2)c1 96438290 YIWBQJNYOPBDHS-GDNBJRDFSA-N 472.419 5.440 50 10 JKGE CC(C)(C)c1ccc(OCCn2cc(/C=C(/C#N)C(=O)NC[C@H]3CCCO3)c3ccccc32)cc1 96577102 AKGNNEXWRPEZRC-WUOJVWERSA-N 471.601 5.220 50 10 JKGE CCOc1cc(/C=C(/C#N)c2nc(-c3cc4ccccc4oc3=O)cs2)ccc1OC(C)C 97595281 KFUCJDNIBDWGSZ-ODLFYWEKSA-N 458.539 6.167 50 10 JKGE COc1ccc([C@H](C(=O)NC2CCCCCC2)N(Cc2ccc(C)cc2)C(=O)CCl)cc1OC 97914921 OAYMEQAYXKVLBX-AREMUKBSSA-N 487.040 5.160 50 10 JKGE COc1cc(N/C=C(\C#N)c2nc(-c3cccc(Br)c3)cs2)c(OC)cc1Cl 100331348 HRAXNKLFCKQQDT-JLHYYAGUSA-N 476.783 6.220 50 10 JKGE COc1cc(/C=C(\C#N)c2nc(-c3ccc4ccccc4c3)cs2)cc(OC)c1OC(C)=O 102462761 ZBGZGCFWLABFJI-UFFVCSGVSA-N 456.523 5.970 50 10 JKGE FC(F)(F)c1cccc([C@@H](Br)c2cc(Br)sc2Br)c1 109869973 JGAUHBGNHZHFKA-SNVBAGLBSA-N 478.953 6.776 50 10 JKGE CCOc1ccc([C@H](Br)c2sccc2Br)c(Br)c1 126693684 YCRDRKXUIYRXAX-LBPRGKRZSA-N 455.009 6.156 50 10 JKGE COc1ccc(OC)c([C@@H](Br)c2cc(Br)c(Br)s2)c1 128274776 WZXQCKVRCMPQJE-GFCCVEGCSA-N 471.008 5.775 50 10 JKGE CC(C)Oc1ccc([C@@H](Br)c2cc(Br)c(Br)s2)cc1 128864821 QBUZGBJTGAOZSL-CYBMUJFWSA-N 469.036 6.545 50 10 JKGE O=S(=O)(N[C@@H]1CCCCC[C@H]1Br)c1c(Cl)cc(Br)cc1Cl 136208996 QJZHDXSFBPDBNY-BXKDBHETSA-N 480.049 5.130 50 10 JKGE CCc1nn(C)c(COc2c(C)cc(Br)cc2CBr)c1Br 167017478 RJADNDIXCVVRRB-UHFFFAOYSA-N 481.026 5.290 50 10 JKGE CCCOc1c(Br)cc(Br)cc1/C=C(\CBr)C(C)C 211534700 KMIVYFAPLOHZFZ-WUXMJOGZSA-N 455.028 6.435 50 10 JKGE Brc1ccc(Br)c([C@H](Br)[C@H]2[C@@H]3CCc4ccccc4[C@@H]23)c1 227467910 IJGWUIDSAHQXLJ-ZSGPHXLJSA-N 471.030 6.624 50 10 JKGE CCCOc1ccc([C@H](Br)c2sccc2Br)cc1Br 229010149 HQTDDFFXNUBJEE-ZDUSSCGKSA-N 469.036 6.546 50 10 JKGE Brc1ccc([C@@H](Br)c2cc(Br)cc(Br)c2)cc1 232483019 AOPIZMDUYQWDTH-CYBMUJFWSA-N 483.823 6.458 50 10 JKGE COc1ccc([C@H](Br)c2cc(Cl)ccc2I)cc1Cl 234994445 BQGSKLVMBLFHOV-AWEZNQCLSA-N 471.947 6.091 50 10 JKGE Clc1cc([C@@H](Br)c2ccc(Br)c3ccccc23)c(Cl)s1 236074667 HJURWTHURIVQAO-AWEZNQCLSA-N 451.010 7.455 50 10 JKGE COc1cc(/C=N/NC(=O)[C@@H]2[C@@H]3CCCC[C@@]32C)ccc1OCc1ccc(Cl)cc1Cl 253563147 FCIIGKDETAEHNI-BGWSTJGYSA-N 461.389 5.857 50 10 JKGE COc1cc(-c2cc(C(=O)NN=C/C=C/c3ccccc3)[nH]n2)ccc1OCc1ccccc1 254310528 CFCFRXDZSTUINP-YGXBZLBZSA-N 452.514 5.093 50 10 JKGE CCCCOc1ccc(C(=O)NN=Cc2ccc(OC(=O)/C=C\c3ccccc3)c(OC)c2)cc1 254346202 CZZPCQBVQRELBG-HPTNMMOXSA-N 472.541 5.257 50 10 JKGE Cc1cccc(C=NNC(=O)CSc2nnc(-c3ccc(C(C)(C)C)cc3)n2-c2ccccc2)c1 254795482 QNIBGYSJOHUQOT-UHFFFAOYSA-N 483.641 5.783 50 10 JKGE Brc1cc([C@H](Br)c2cc(I)cc3c2OCC3)cs1 306038326 MRZPUSRZNPQUTO-LBPRGKRZSA-N 499.993 5.534 50 10 JKGE C[C@H](Cl)c1nc2c(Br)cccc2n1-c1ccccc1I 380554583 PXMBJMBUXAXRQY-VIFPVBQESA-N 461.528 5.692 50 10 JKGE C[C@@H](Br)C[C@H]1CCCCCN1c1ncc(Br)cc1Br 387974526 CZCOWINYMDHCJJ-ZYHUDNBSSA-N 455.032 5.529 50 10 JKGE Cc1cc(F)c([C@@H](Br)c2cc(Br)sc2Br)cc1Cl 395898052 KECXBSGPVYOXCU-LLVKDONJSA-N 477.418 6.858 50 10 JKGE CCCCCCCCCCCCCCCCCCC(=O)OC[C@H](O)CO[Si](C)(C)C(C)(C)C 504732346 NYWQHURJSRRYPJ-SANMLTNESA-N 486.854 8.564 50 10 JKGE CC(C)(C)[Si](C)(C)OCCc1ccc([C@@H]2COCCN2CCO[Si](C)(C)C(C)(C)C)cc1 616602728 UPXCPEVMXUTVFS-DEOSSOPVSA-N 479.854 6.646 50 10 JKGE Fc1ccc([C@@H](Br)c2ccc(Br)cc2Cl)c(F)c1Br 691638391 ZGGOSBPVWKFEAN-NSHDSACASA-N 475.352 6.628 50 10 JKGE Cl[C@@H](c1ccc(I)c(Br)c1)c1cccc2ccccc12 721612228 ICKFGTFRGBYWPG-KRWDZBQOSA-N 457.536 6.535 50 10 JKGE O=C(CCCCl)Nc1ccc(N2CCN(Cc3ccc(Cl)cc3Cl)CC2)c(Cl)c1 953055423 IUUWOKHLLICPAI-UHFFFAOYSA-N 475.247 5.927 50 10 JKGE O=C(OCc1ccccc1)N1C[C@H](CBr)[C@H](c2ccccc2OC(F)(F)F)C1 1614620148 BYRCGSFXCATYLB-DOTOQJQBSA-N 458.274 5.332 50 10 JKGE CCCCN1C(=O)C(=NNC(=O)c2cc(-c3ccccc3)nc3ccccc23)c2cc(C)ccc21 1772720198 HYZXSJOULIKGNU-UHFFFAOYSA-N 462.553 5.491 50 10 JKGE Cc1cccc(C(=O)NN=C2CCCc3oc(C(=O)Nc4ccc(C)cc4Br)c(C)c32)c1 1772744682 GHCMIEVKLPQIPK-UHFFFAOYSA-N 494.389 5.690 50 10 JKGE COc1ccc(C(=O)NN=C2CCCc3oc(C(=O)Nc4cc(Cl)ccc4C)c(C)c32)cc1 1772745582 FSFJOGYEHBVMDB-UHFFFAOYSA-N 465.937 5.281 50 10 JKGE Cc1ccc(OC(=O)c2oc3c(c2C)C(=NNC(=O)c2ccccc2Br)CCC3)cc1 1772746166 RBYJBLWSEDGQST-UHFFFAOYSA-N 481.346 5.349 50 10 JKGE O=C(COc1ccc2ccccc2c1)NN=Cc1cc(Br)ccc1OCc1ccccc1 1772753606 TXVBQJVDKFOQQA-UHFFFAOYSA-N 489.369 5.710 50 10 JKGE N#CSc1ccc(NC(=O)c2cc(CCc3ccccc3)n(-c3ccccc3Cl)n2)cc1 1862327063 ZWUMHDUKXURUIH-UHFFFAOYSA-N 458.974 6.136 50 10 JKGE COc1ccc(-c2nn(-c3ccc(Cl)cc3)c3c2[C@H](c2sccc2C)C(C#N)=C(N)O3)cc1 1865699265 OUGREWRLJZHBAF-HXUWFJFHSA-N 474.973 5.789 50 10 JKGE N#CC1=C(N)Oc2c(c(C(F)(F)F)nn2-c2ccc(Cl)c(Cl)c2)[C@H]1c1ccc(F)cc1F 1865701706 CGKNPKYMMOHALS-HNNXBMFYSA-N 487.215 5.694 50 10 JKGE Cc1cccc([C@H]2C(C#N)=C(N)Oc3c2c(-c2ccccc2)nn3-c2ccc(Cl)c(Cl)c2)c1 1865711107 PWHDOLWAKMPEHX-QFIPXVFZSA-N 473.363 6.373 50 10 JKGE CC[C@](C)(NC(=O)Cc1nc(-c2ccc(C(C)C)cc2)oc1C)C(=O)Nc1ccc(SC#N)cc1 1867181854 ADOWEMQEUKWXDC-MHZLTWQESA-N 490.629 5.813 50 10 JKGE COc1c(C)cc(C)cc1-c1csc(/C(C#N)=C(\O)c2ccc(N(C)C)c([N+](=O)[O-])c2)n1 1872755002 UIEGGBNORXCZOI-FXBPSFAMSA-N 450.520 5.360 50 10 JKGE COc1ccc(-c2csc(/C(C#N)=C(\O)c3ccc4c(c3)C(=O)N(C(C)(C)C)C4=O)n2)c(OC)c1 1872755381 KYOYWULQJGGYQS-QOCHGBHMSA-N 489.553 5.172 50 10 JKGE N#C/C(=C\c1ccc(OCc2ccc(Cl)cc2)cc1)c1nc(-c2c[nH]c3ccccc23)cs1 1872791869 VEFCMYQUDFZVNL-DEDYPNTBSA-N 467.981 7.588 50 10 JKGE COc1cc(/C=C(\C#N)c2nc(-c3c(C)cc(C)cc3C)cs2)ccc1OCc1ccc(C)cc1 1872794383 YMLXFWWPIGFTKO-AFUMVMLFSA-N 480.633 7.696 50 10 JKGE CCCCCc1ccc([C@H](Br)c2cnn(C)c2I)s1 1889050251 ZDEJUNCRXNEUBS-CYBMUJFWSA-N 453.187 5.303 50 10 JKGE COc1c(C)cc(Br)c(C)c1[C@H](Br)c1c(C)nsc1Br 1912981431 DKCGDKYFWYZXLX-LBPRGKRZSA-N 484.051 6.086 50 10 JKGE Cc1c(Br)sc([C@H](Br)[C@@H]2C[C@H]3CCCC[C@H]32)c1Br 1922931008 YFSQSBKZVUKBHY-DNRKLUKYSA-N 457.069 6.844 50 10 JKGE CCC(F)(F)C[C@H](Cl)c1c(Br)sc(Br)c1Br 1924608072 CUNQDXJLJHJCDV-BYPYZUCNSA-N 461.391 6.751 50 10 JKGE Cl[C@@H](c1c(Br)sc(Br)c1Br)[C@H]1CCCC2(CC2)C1 1924609126 SFEHBHYBHRNMOC-OIBJUYFYSA-N 477.487 7.286 50 10 JKGE Cc1c([C@@H](Cl)c2sc(Br)cc2Br)nn(C)c1Br 2002829731 UPROMJXQTCSFJH-SSDOTTSWSA-N 463.420 5.406 50 10 JKGE C[C@@H]1OCC[C@@H]1C[C@@H](Br)c1c(Br)sc(Br)c1Cl 2019622034 GSNKQHSENOAACH-RRKCRQDMSA-N 467.448 6.178 50 10 JKGE C[C@@H](Br)[C@@H]1CCCCN1C(=O)c1csc(Br)c1Br 2032958414 CXEROGUVYITCFU-APPZFPTMSA-N 460.029 5.051 50 10 JKGE COc1ccc(-c2nn(-c3ccccc3)cc2C=C(C#N)c2nc3ccccc3n2C)cc1OC 2040458295 FFWCYNOLVQXVAW-UHFFFAOYSA-N 461.525 5.507 50 10 JKGE Cc1c(Cl)cc([C@@H](Br)c2ccc(Br)cc2)cc1Br 2048504249 URNMEWXKWZUJMN-AWEZNQCLSA-N 453.399 6.658 50 10 JKGE Brc1cc([C@@H](Br)[C@H]2CCCCC23CCC3)sc1Br 2053372932 ZRTDFYDYEKPPLL-SKDRFNHKSA-N 457.069 7.070 50 10 JKGE C[C@@H](C1CC1)N(Cc1ccccc1)S(=O)(=O)c1ccc(Br)c(CBr)c1 2059389982 IUCKUOPZNRIERW-AWEZNQCLSA-N 487.257 5.333 50 10 JKGE Cc1nn(C)c([C@H](Cl)c2sc(Br)c(C)c2Br)c1Br 2072300323 JOEHSOVIZFXSSY-QMMMGPOBSA-N 477.447 5.714 50 10 JKGE Cl[C@H](c1c(Br)sc(Br)c1Br)[C@@H]1C[C@]12CCCOC2 2077422114 FOSZDAGWZSFKOE-HQLZOWSPSA-N 479.459 6.132 50 10 JKGE Cc1nc([C@@H](Cl)c2ccc(Br)c(C)c2Br)c(Br)s1 2083319523 ZROMOIDSZXDXGJ-JTQLQIEISA-N 474.443 6.376 50 10 JKGE Cl[C@H](c1cc2sccc2s1)c1cc(I)ccc1Br 2084768313 XZRZRLPPNRXRHK-ZDUSSCGKSA-N 469.594 6.658 50 10 JKGE CCOc1ccc([C@@H](Br)c2c(Br)cccc2Br)s1 2086383526 CYXYPQPIMFRHSO-CYBMUJFWSA-N 455.009 6.156 50 10 JKGE CC(C)(C)C[C@@H](CBr)NC(=O)c1c(Br)cccc1Br 2094091928 ZMYUSJROZBGZBK-VIFPVBQESA-N 456.016 5.141 50 10 JKGE Cc1cc(Br)c(F)c(C[C@@H](Br)c2ccccc2Br)c1 2113445084 SLOOEWWLYJZUNQ-CYBMUJFWSA-N 450.971 6.338 50 10 JKGE CC[C@@H](Br)[C@@H]1CCCCN1C(=O)c1cc(Br)sc1Br 2114193429 OMDJPNNODARHQP-ZJUUUORDSA-N 474.056 5.441 50 10 JKGE C[C@@H]1CCC[C@]12[C@H](Br)C[C@H]2Oc1ccc(Br)cc1Br 2117008864 WZHMGEAABOWFRX-SEWBAHNZSA-N 453.012 5.933 50 10 JKGE COC[C@@H]1CC[C@H](Cc2cc(Cl)ccc2I)C[C@H]1Br 2127232141 VXZQYPAIPHHUEN-UHIISALHSA-N 457.577 5.313 50 10 JKGE Cc1cc(Br)c(C)c([C@H](Br)C[C@@H]2CCO[C@H]2C)c1Br 2136381568 IYOQPQHJSQDHGJ-GMXVVIOVSA-N 455.028 6.080 50 10 JKGE Cc1c(Br)ccc([C@H](Br)C(F)(F)C2CCCC2)c1Br 2138853700 QXLQVQWFPPBSNB-ZDUSSCGKSA-N 460.982 6.782 50 10 JKGE Fc1cc(Cl)c([C@H](Cl)c2ccc(I)c(Br)c2)cc1Cl 2139411074 SBLJFNSNHMNMJE-CYBMUJFWSA-N 494.356 6.828 50 10 JKGE Fc1cc(Cl)c([C@@H](Br)c2cc(Cl)ccc2I)cc1Cl 2139426765 QDOUBIKEPWVAOI-CYBMUJFWSA-N 494.356 6.875 50 10 JKGE Fc1cc(Br)c2nc(CCl)n([C@H]3CCCCN(Cc4ccccc4)C3)c2c1 2158572644 MNYQHOBKPDEXLC-KRWDZBQOSA-N 450.783 5.904 50 10 JKGE CCn1cc(Br)c([C@@H](Br)c2cc(Cl)c(Cl)c(Cl)c2Cl)n1 2181185207 CGKQMOAGEQQZMJ-QMMMGPOBSA-N 481.830 6.763 50 10 JKGE Cc1nn(C)c(Br)c1[C@@H](Br)c1scc(C(F)(F)F)c1Br 2185748585 GDSBUDIJAMLRCK-MRVPVSSYSA-N 496.972 5.818 50 10 JKGE BrCc1cc(Br)cc(Br)c1OC[C@@H]1C[C@H]1C1CCCC1 2200388661 CALIAZMNIITDJD-JSGCOSHPSA-N 467.039 6.312 50 10 JKGE COc1cc(Cl)c([C@H](Cl)c2cc(Br)ccc2Cl)cc1Br 2202343025 DCINXVTYQZLSFE-CQSZACIVSA-N 459.392 6.855 50 10 JKGE COc1cc(Cl)c([C@@H](Cl)c2cc(Cl)ccc2Br)cc1Br 2202348314 YYUQOWNMLHRNBO-AWEZNQCLSA-N 459.392 6.855 50 10 JKGE COc1cc(Br)c(F)cc1Oc1ccc(Br)cc1CBr 2207466283 VIKQBZHEIYOTMC-UHFFFAOYSA-N 468.942 6.047 50 10 JKGE Cc1cc(Br)c([C@H](Br)c2cccc(OCc3ccccc3)c2)c(C)c1Cl 2224320757 JQIGOZCONBRAMV-OAQYLSRUSA-N 494.654 7.783 50 10 JKGE Cl[C@H](c1c(Br)sc(Br)c1Br)[C@@H]1OC[C@@H]2CCCC[C@H]21 2224945422 NFFCADULSDYORV-AMDBMLIDSA-N 493.486 6.521 50 10 JKGE Fc1cc(Br)c(Br)cc1[C@H](Br)[C@H]1CCCC2(CC2)C1 2225615816 LXDRLDGNQBBLLD-LKFCYVNXSA-N 455.003 6.757 50 10 JKGE BrCC(CBr)(Cc1ncsc1Br)C1CCCCCC1 2226134515 QMWYLTTVEHUWOF-UHFFFAOYSA-N 474.100 6.195 50 10 JKGE Cc1cc(Br)c([C@@H](Br)[C@@H]2CCC3(CC3)C2)c(C)c1Br 2227347878 LAEROQIVYSDFSC-ABAIWWIYSA-N 451.040 6.845 50 10 JKGE Cc1cc(Br)c([C@@H](Cl)c2cc(Br)n(C)n2)c(C)c1Br 2227362267 MGXKFODPDDIEME-ZDUSSCGKSA-N 471.418 5.653 50 10 JKGE Fc1ccccc1C[C@H](Br)c1c(Br)cc(Cl)c(Cl)c1Cl 2232510141 GHKRKNPWPYVWFX-QMMMGPOBSA-N 461.383 7.227 50 10 JKGE Clc1cc(Br)c([C@@H](Br)CC2CC3(CCC3)C2)c(Cl)c1Cl 2232528499 SVDHJIJCGLIPOJ-VIFPVBQESA-N 461.452 7.816 50 10 JKGE CC(C)(C1CCCC1)[C@H](Br)c1c(Br)cc(Cl)c(Cl)c1Cl 2232529022 KHWFKWKRVIHCKY-CQSZACIVSA-N 463.468 8.062 50 10 JKGE CCOCc1cc(Br)c([C@@H](Br)c2cccc(F)c2Br)s1 2233017789 CKEBMTFVSHUWFT-ZDUSSCGKSA-N 487.026 6.433 50 10 JKGE ClCc1nc2cc(Br)c(Br)cc2n1Cc1sccc1Br 2234070761 WJMWILWFZPONCO-UHFFFAOYSA-N 499.453 6.172 50 10 JKGE Cc1ccc(Cl)cc1[C@H](Br)c1c(Br)cc(C)c(Br)c1C 2235603942 LOIQVKCOUWHCFV-INIZCTEOSA-N 481.453 7.275 50 10 JKGE Cc1cc(Br)c([C@H](Cl)c2c(F)cccc2Br)c(C)c1Br 2235604248 NBDWAFTVBSNSSX-HNNXBMFYSA-N 485.416 7.058 50 10 JKGE O=C(c1cc(Br)c(Br)s1)N1[C@H](CBr)C[C@H]2CCCC[C@@H]21 2240768052 WRFOLBABFYYLDO-YWVKMMECSA-N 486.067 5.441 50 10 JKGE Cc1sc([C@@H](Br)c2cscc2OCc2ccccc2)c(Br)c1C 2242633112 YZXJPKUSYOZTQL-KRWDZBQOSA-N 472.267 7.252 50 10 JKGE Clc1c(Br)csc1[C@@H](Br)Cc1ccncc1Br 2246467571 LLXLUVYIVVUGLF-ZETCQYMHSA-N 460.416 6.000 50 10 JKGE FC1CC2(C1)CC([C@@H](Cl)c1c(Br)sc(Br)c1Br)C2 2259595228 ZIDIOFOUAQKDEQ-JFFMIGTQSA-N 481.450 6.844 50 10 JKGE COc1ccc(C[C@@H](Br)c2ccc(Cl)c(I)c2)cc1 2268314792 GNJINYUSCQUDPH-CYBMUJFWSA-N 451.529 5.632 50 10 JKGE COc1cc(Cl)c(Cl)cc1[C@H](Br)c1sc(C)c(C)c1Br 2279047378 MFOJKUGIEYQFFV-ZDUSSCGKSA-N 459.030 6.927 50 10 JKGE Cc1cc(Br)c([C@H](Br)c2cc(Cl)c(Cl)cc2C)cc1Cl 2279060446 UQNHADJTOADEIX-OAHLLOKOSA-N 457.420 7.510 50 10 JKGE COc1ccc(Br)c2c1nc([C@H](C)Cl)n2[C@H](C)CCOCc1ccccc1 2286086555 ZKHIEKFGGFSVFW-CABCVRRESA-N 451.792 6.275 50 10 JKGE CC(C)(C)C[C@H](CBr)NC(=O)Cc1cc(Br)cc(Br)c1 2295307455 JSCXYIJTJSDVOV-CYBMUJFWSA-N 470.043 5.070 50 10 JKGE COc1c(Br)cc(Cl)c(C)c1[C@@H](Cl)c1cc(C)sc1Br 2295378709 SAEMWFUOYNNBMV-LBPRGKRZSA-N 459.030 6.880 50 10 JKGE Cc1cccc(COc2ccc(Cl)cc2C=C(C#N)C(=O)Nc2cc(Cl)ccc2C)c1 2313670734 SINZEDJDCKBFRP-UHFFFAOYSA-N 451.353 6.735 50 10 JKGE CCOc1ccc(-c2nn(-c3ccccc3)cc2C=C(C#N)c2nc(O)c3ccccc3n2)cc1F 2314433493 NYZJFXQNWQEEAT-UHFFFAOYSA-N 477.499 5.790 50 10 JKGE N#CC(=Cc1c(Oc2ccccc2Cl)nc2ccccn2c1=O)C(=O)Nc1ccccc1Cl 2314531409 APTSYEMSHJRKJV-UHFFFAOYSA-N 477.307 5.339 50 10 JKGE N#CC(=Cc1ccc(-c2cccc([N+](=O)[O-])c2)o1)C(=O)Nc1ccc(C(F)(F)F)c(Cl)c1 2314570973 ADQORUNGBFZNFP-UHFFFAOYSA-N 461.783 6.073 50 10 JKGE CCOc1cc(C=C2C(=O)N(CC(C)C)C(=O)C(C#N)=C2C)ccc1OCc1ccc(C)cc1 2314610567 JKIIUXFUOGWRRQ-UHFFFAOYSA-N 458.558 5.221 50 10 JKGE CCCOc1ccc(C=C(C#N)C(=O)Oc2ccc(C(=O)Nc3ccc(OC)cc3)cc2)cc1 2314737618 CNRRZUMWNKZIGJ-UHFFFAOYSA-N 456.498 5.249 50 10 JKGE C[C@H]1C[C@H]2C[C@]([C@H](Br)c3ccc(OCc4ccccc4)cc3Br)(C2)O1 2319804496 XKWBIYXQIIZUGH-XYAWUURFSA-N 466.213 6.422 50 10 JKGE CCN(CC)c1ccc(NC=C(C#N)C(=O)Nc2ccc(I)cc2C)c(C)c1 2320907619 VFKLBZMFKKSMSQ-UHFFFAOYSA-N 488.373 5.212 50 10 JKGE C[C@@H]1C[C@@H](CBr)CCN1Cc1ccc(I)c(Br)c1 2325203239 CCCWKXSQASJDGP-MNOVXSKESA-N 487.017 5.049 50 10 JKGE O=C(c1cc(Br)sc1Br)N1CC[C@H]2C[C@@H](Br)CC[C@H]21 2328611171 FZZVCCVMRUZKBL-OYNCUSHFSA-N 472.040 5.051 50 10 JKGE CCc1cccc(CC)c1N1C[C@H](C(O)=C(C#N)c2nc(-c3ccccc3OC)cs2)CC1=O 2331282024 UBRJFXZTMQTVHL-LJQANCHMSA-N 473.598 5.789 50 10 JKGE Cc1cc(OCCCC(O)=C(C#N)c2nc(-c3ccc(F)c(F)c3)cs2)cc(C)c1Cl 2331352038 XYTMWLUQXNIPPG-UHFFFAOYSA-N 460.933 7.010 50 10 JKGE CC[C@H](C)[C@H](C(O)=C(C#N)c1nc(-c2ccc(F)c(F)c2)cs1)N1C(=O)c2ccccc2C1=O 2331352411 SDSDXENRFPMQCB-YEJXKQKISA-N 479.508 5.592 50 10 JKGE COc1ccc(Cl)cc1-c1csc(C(C#N)=C(O)CCCOc2c(C)cccc2C)n1 2331411157 UVOWSARTNWRQFT-UHFFFAOYSA-N 454.979 6.741 50 10 JKGE CCCOc1ccc(-c2csc(C(C#N)=Cc3cc(Cl)c(O)c(OC)c3)n2)cc1OCCC 2331438034 SLXHFNDVCVYZSA-UHFFFAOYSA-N 485.005 6.819 50 10 JKGE Cc1ccc(COc2ccc(C=C(C#N)c3nc(-c4c(C)c(C)cc(C)c4C)cs3)cc2)cc1 2331468488 QPUZMGHXTKQSKY-UHFFFAOYSA-N 464.634 7.995 50 10 JKGE COc1c(C)cc(C)cc1-c1csc(C(C#N)=Cc2ccc(OCc3ccccc3Cl)cc2)n1 2331469997 VYGXYYUELPBDAC-UHFFFAOYSA-N 487.024 7.732 50 10 JKGE Cc1cccc([C@@H](Br)c2c(Cl)cc(Br)c(F)c2Br)c1 2337092410 QAEZTYQNCVSLMX-GFCCVEGCSA-N 471.389 6.797 50 10 JKGE COC[C@@H]1CC[C@H](Cc2ccc(Cl)cc2I)C[C@H]1Br 2341047098 QOKDBXSVKLCXJW-SCDSUCTJSA-N 457.577 5.313 50 10 JKGE ClC[C@@H](Cc1ccc(I)c(Br)c1)c1cccc(Cl)c1 2349842070 MHYFEFSZIHEMJS-GFCCVEGCSA-N 469.975 6.272 50 10 JKGE Cc1cc(Br)c([C@@H](Br)[C@@H]2[C@@H]3[C@H]2CCCC3(F)F)cc1Br 2355159153 PZSAGVGZIZTGKS-PWURMNTRSA-N 472.993 6.637 50 10 JKGE BrC[C@]12CCC[C@H](CN(Cc3ccc(Br)cc3Br)C1)C2 2357620902 CSQZYDBZLHRLTR-BLLLJJGKSA-N 466.055 5.599 50 10 JKGE Clc1ccc(I)c(CN2C[C@@H]3CCC[C@@](CBr)(C3)C2)c1 2357627013 SHQZFHLEBVGCQP-WBMJQRKESA-N 468.604 5.332 50 10 JKGE COc1ccc(CC[C@@H](Br)c2ccc(OCc3ccccc3)cc2Br)cc1 2361194569 JJBNDAPNBCZIPT-JOCHJYFZSA-N 490.235 7.106 50 10 JKGE Brc1cc(OCc2ccccc2)ccc1[C@H](Br)[C@@H]1CC[C@H]2CCCC[C@H]2C1 2361200041 GEKQIYOUIXDMCS-ZBNTXBBCSA-N 492.295 8.071 50 10 JKGE Cc1nc(Br)c([C@H](Br)c2cc(Cl)c(Cl)c(Cl)c2Cl)n1C 2362441270 IXBKWBOCHGGJHL-SSDOTTSWSA-N 481.830 6.589 50 10 JKGE Cc1c(Br)sc([C@@H](Cl)[C@]23CO[C@](C(F)(F)F)(C2)C3)c1Br 2363839829 YCHVPVDCRONVOF-FBIMIBRVSA-N 454.533 5.973 50 10 JKGE COc1c(Br)cc(C)c([C@H](Br)CC2CC(C)(C)C2)c1Br 2365214666 CIVFWADANUNEPD-LLVKDONJSA-N 469.055 6.791 50 10 JKGE COc1c(Br)cc(C)c([C@@H](Br)CC[C@H]2CCOC2)c1Br 2365237165 RRBKCJZWBVRULI-QWRGUYRKSA-N 471.027 5.781 50 10 JKGE O=C(N[C@H](CBr)CC1CCCC1)c1ccc(Cl)cc1I 2365598468 QSLHAXJYIKYKLD-LBPRGKRZSA-N 470.576 5.018 50 10 JKGE CC1CCC([C@H](CBr)NCc2ccc(Br)cc2Br)CC1 2379756362 XTFFCXFZYXCOHX-PPUFBPAQSA-N 468.071 5.891 50 10 JKGE C[C@]1(NC(=O)c2cc(Br)c(Br)s2)C[C@H]2CC[C@H]1C[C@@H]2Br 2380891365 HUOURQAUKJUYKD-JWUFEOHASA-N 486.067 5.345 50 10 JKGE CCc1cc(Br)c(OC)c([C@@H](Br)c2cc(Cl)c(Cl)s2)c1 2381253564 IPBCEPMITZBKPM-GFCCVEGCSA-N 459.030 6.873 50 10 JKGE CCCCCOc1ccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4ccc(C)cc4)ccc32)cc1OC 38660219 KCCIDWZRRFBPGB-NDEPHWFRSA-N 498.579 6.010 50 10 JKGE CCCCOc1cccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4cccc(OC)c4)ccc32)c1 38685059 GYYODLRKBFRMCC-SANMLTNESA-N 470.525 5.311 50 10 JKGE Cc1cc2oc(C(=O)Oc3ccc4c(c3)OC(N)=C(C#N)[C@H]4c3ccc(C(C)C)cc3)c(C)c2cc1C 38687070 IKQPSNAYWSKVFQ-NDEPHWFRSA-N 492.575 6.919 50 10 JKGE Cc1ccccc1C(=O)N/N=C1\CCCc2oc(C(=O)Nc3cccc(Cl)c3Cl)c(C)c21 40811524 IUPYJUNEEQPDJM-OGLMXYFKSA-N 470.356 5.926 50 10 JKGE ClC(Cl)(P(c1ccccc1)c1ccccc1)P(c1ccccc1)c1ccccc1 82088275 NDFWAUNAFRZGAZ-UHFFFAOYSA-N 453.289 6.341 50 10 JKGE CCOc1ccc(/C=C(\C#N)C(=O)Nc2ccc(C)c(Nc3nccc(-c4cccnc4)n3)c2)cc1 91351699 JIDPLYMVCJBDHZ-PXLXIMEGSA-N 476.540 5.535 50 10 JKGE COc1cc(-c2cc(C(=O)N/N=C/C=C\c3ccccc3)[nH]n2)ccc1OCc1ccc(C)cc1 96591952 DOJXZWIXEGGOQF-FYWIBZCRSA-N 466.541 5.402 50 10 JKGE CC(C)c1ccccc1N/C=C(/C#N)c1nc(-c2cc3c(ccc4ccccc43)oc2=O)cs1 102403233 IZTPGYGCGHKTTD-CYVLTUHYSA-N 463.562 7.170 50 10 JKGE COc1cc(Cl)c([C@H](Br)c2ccccc2I)cc1OC 109866920 XICHNRJYVQDVBD-OAHLLOKOSA-N 467.528 5.446 50 10 JKGE Cc1cc(Br)c([C@@H](Br)c2cc3ccccc3s2)cc1Br 128801893 KFJZGZCDDVEDFD-MRXNPFEDSA-N 475.043 7.219 50 10 JKGE COc1ccc([C@H](Br)c2cc(Br)c(Br)s2)cc1C 128868682 XOVJHERFECSSPC-LBPRGKRZSA-N 455.009 6.074 50 10 JKGE Fc1cccc(Cl)c1C[C@H](Br)c1ccc(I)c(Cl)c1 232386231 ZFSXFZPBKGGIDX-JTQLQIEISA-N 473.938 6.416 50 10 JKGE CCOc1ccc(Br)cc1[C@H](Br)c1ccc(F)c(Br)c1 233784599 KZELIXSLJDIUBH-OAHLLOKOSA-N 466.970 6.234 50 10 JKGE CC[C@H](C)c1ccc([C@@H](Br)c2cc(Br)sc2Br)cc1 234020006 QGTNQRZTBSQFNK-LKFCYVNXSA-N 467.064 7.271 50 10 JKGE Fc1cc(F)c([C@@H](Br)c2cc(Br)c(Br)s2)cc1F 236223804 YGGSWCUBEBTACH-SNVBAGLBSA-N 464.926 6.175 50 10 JKGE Cc1ccc([C@H](C(=O)N[C@@H]2CCC[C@H](C)[C@H]2C)N(Cc2ccccc2Cl)C(=O)CCl)cc1 252586822 SWGOBJYYRGBTBO-IRMATFOQSA-N 475.460 5.898 50 10 JKGE CN(c1ccc(CBr)cc1Br)C1CCN(Cc2ccccc2)CC1 310187593 XYYBBCJTSJDJJM-UHFFFAOYSA-N 452.234 5.445 50 10 JKGE ClCc1nc2cc(Cl)ccc2n1-c1ccc(I)cc1Br 380308779 VXZXHHIQUPPFAQ-UHFFFAOYSA-N 481.946 5.785 50 10 JKGE Fc1ccc([C@H](Br)c2cc(F)c(F)c(F)c2F)c(I)c1 395614975 NPULLZPJOOUQIB-JTQLQIEISA-N 462.981 5.471 50 10 JKGE CC(C)(C)[Si](C)(C)OCCc1cccc([C@@H]2CCc3ccccc3N2Cc2ccccc2)c1 616668205 SMQSKVRGFSQADS-LJAQVGFWSA-N 457.734 7.945 50 10 JKGE ClCc1nc2cccc(Br)c2n1-c1ccc(Cl)cc1I 700073974 AYWHHVHPGUXOOV-UHFFFAOYSA-N 481.946 5.785 50 10 JKGE Clc1ccc(C[C@@H](Br)c2scc(Br)c2Br)cc1Cl 705493572 UMFKRNNXOJAAGJ-SSDOTTSWSA-N 493.873 7.259 50 10 JKGE BrCC(CBr)(C[C@@H]1CCCS1)c1cccc(Br)c1 715880880 MXECKTGNQQNHQJ-ZDUSSCGKSA-N 457.069 5.762 50 10 JKGE C[C@@H](Cl)c1nc2c(C(F)(F)F)cccc2n1CCCN(Cc1ccccc1)Cc1ccccc1 717176941 ISZPAEVWVPTJNV-HXUWFJFHSA-N 485.981 7.447 50 10 JKGE Cc1cc([C@H](Cl)c2ccc(I)c(Br)c2)cc(C)c1F 721603688 NSMKBFAMYRRWRS-CQSZACIVSA-N 453.520 6.138 50 10 JKGE Fc1ccc([C@H](Cl)c2ccc(I)c(Br)c2)c(F)c1Cl 721612208 HWQOFNGVPDFDKG-LLVKDONJSA-N 477.901 6.314 50 10 JKGE O=C(NN=Cc1c(Oc2ccc(C(F)(F)F)cc2[N+](=O)[O-])ccc2ccccc12)c1cccnc1 1084044991 FRHWCMUJXSNRMC-UHFFFAOYSA-N 480.402 5.718 50 10 JKGE CCCOc1ccc(C(=O)NN=Cc2ccc(OCc3ccc(Br)cc3)cc2)cc1 1084100412 SZIBUCOUEVDXSI-UHFFFAOYSA-N 467.363 5.581 50 10 JKGE O=C(CCCSc1nc2ccccc2s1)NN=Cc1ccc(COc2ccc(F)cc2)o1 1084322308 NNUCPKUTCMYNBT-UHFFFAOYSA-N 469.563 5.630 50 10 JKGE CN(C)C(=O)/C(C#N)=C/c1cc(Cl)c(OCc2ccc(Cl)c(Cl)c2)c(Br)c1 1084377841 JXGRKYJJAKOWFQ-WLRTZDKTSA-N 488.596 5.983 50 10 JKGE Cc1cc(C=NNC(=O)COc2ccc(Cl)cc2Cl)c(C)n1-c1ccc(Cl)cc1Cl 1084442023 FELNILFVRNCDJP-UHFFFAOYSA-N 485.198 6.237 50 10 JKGE CCCCCN1C(=O)C(=NNC(=O)CCCOc2ccc(Cl)cc2Cl)c2cc(OC)ccc21 1772720071 BBIVYGVEQBUBDW-UHFFFAOYSA-N 492.403 5.218 50 10 JKGE Cc1c(C(=O)Nc2ccc(Oc3ccccc3)cc2)oc2c1C(=NNC(=O)c1ccccc1)CCC2 1772744332 BTLUUFCCUHGXGR-UHFFFAOYSA-N 479.536 6.103 50 10 JKGE Cc1cc(C)c2c(CC(=O)NN=C3CCCc4oc(C(=O)NC5CCCCC5)c(C)c43)coc2c1 1772751766 MBUMCLVHGIGBAV-UHFFFAOYSA-N 475.589 5.413 50 10 JKGE COc1ccc(-c2nn(-c3ccc(C)cc3)c3c2[C@H](c2ccc(Cl)cc2)C(C#N)=C(N)O3)cc1 1865683498 LAOOAICVNFLGJU-HSZRJFAPSA-N 468.944 5.728 50 10 JKGE N#CC1=C(N)Oc2c(c(C(F)(F)F)nn2-c2ccccc2Cl)[C@H]1c1cccc(Br)c1 1865684610 TVWBIRNHLLHNBN-HNNXBMFYSA-N 495.686 5.525 50 10 JKGE COc1cc2c(cc1OC)[C@@H](c1ccc(C(F)(F)F)cc1)N(C(=O)/C(C#N)=C/c1ccccc1)CC2 1868112968 HEINVZGBWPDDIW-DSSLFPTQSA-N 492.497 5.804 50 10 JKGE COc1cc(/C=C(\C#N)c2cc3c(cc2[N+](=O)[O-])OCCO3)ccc1OCc1ccc(C)cc1 1872728782 SZXDZUXVURLREX-RGVLZGJSSA-N 458.470 5.326 50 10 JKGE COc1cc(/C=C(\C#N)c2ncccc2[N+](=O)[O-])ccc1OCc1c(Cl)ccc(Cl)c1Cl 1872729068 LTIYOXCNUWEENQ-NTEUORMPSA-N 490.730 6.602 50 10 JKGE CCc1cccc(C)c1N1C[C@@H](/C(O)=C(\C#N)c2nc(-c3ccc(OC)cc3)cs2)CC1=O 1872746018 NXRZAFCQMOXDII-GYGWLHPRSA-N 459.571 5.535 50 10 JKGE COc1ccc(/C=C(C(/O)=C(\C#N)c2nc(-c3ccc(C)cc3)cs2)\c2ccccc2)cc1OC 1872749134 CIUPCZZWUVARGW-KOGQMRHXSA-N 480.589 7.169 50 10 JKGE CCCOc1ccc(-c2csc(/C(C#N)=C(\O)CN3C(=O)COc4ccc(Cl)cc43)n2)cc1 1872749991 RMKCQIRWYAOAPQ-UZYVYHOESA-N 481.961 5.471 50 10 JKGE COc1ccc(OC/C(O)=C(\C#N)c2nc(-c3ccc4c(c3)OCO4)cs2)c(C(C)(C)C)c1 1872752668 NIGLBMKKFRSQKO-JZJYNLBNSA-N 464.543 5.717 50 10 JKGE CCOc1ccc(-c2csc(/C(C#N)=C(O)/C=C/c3ccc(OC)c(OC)c3)n2)c(OCC)c1 1872755617 WVOOUIGPGDIREV-PVTSUSJYSA-N 478.570 6.131 50 10 JKGE CCCOc1ccc(-c2csc(/C(C#N)=C/c3ccc(C(=O)OC)cc3)n2)cc1OCCC 1872789959 ATIIXZWCBLOAAO-KGENOOAVSA-N 462.571 6.238 50 10 JKGE CC[C@H](C)[C@@H](/C(O)=C(\C#N)c1nc(-c2ccc(F)cc2F)cs1)N1C(=O)c2ccccc2C1=O 1872818053 KXBGCGPGXLIVQB-ZTPHYQCWSA-N 479.508 5.592 50 10 JKGE FC(F)(F)C(F)(F)[C@@H](Br)c1sc(Cl)cc1I 1901024290 UTIQGDGSRALNDJ-YFKPBYRVSA-N 455.411 5.640 50 10 JKGE CC(C)[C@@H](CBr)N(Cc1ccccc1)C(=O)c1cccc(F)c1Br 1915297425 GZZLKIHZDQDNFU-QGZVFWFLSA-N 457.181 5.650 50 10 JKGE CC(C)c1ccc([C@H](Br)c2sc(Br)cc2Br)cc1 1922944437 YSKKSNKNZFXBFA-ZDUSSCGKSA-N 453.037 6.881 50 10 JKGE FC1(F)CCCC[C@@H]1[C@H](Cl)c1c(Br)sc(Br)c1Br 1924590849 MFMYSKAJXKPIIP-XRGYYRRGSA-N 487.429 7.141 50 10 JKGE Clc1sc(Cl)c([C@H](Cl)c2ccc(Br)cc2Br)c1Cl 1925589026 RGTAPFNWZGCFKJ-MRVPVSSYSA-N 469.840 7.562 50 10 JKGE FC(F)C1CC(C[C@H](Br)c2cc(Br)sc2Br)C1 1926985529 VJPDUNCHQQBJHW-QIECLKSESA-N 452.984 6.391 50 10 JKGE CC(C)(C)CN(Cc1ccccc1)c1c(CBr)ccc(Br)c1Cl 1939330323 VOTRRDWFSLOLLO-UHFFFAOYSA-N 459.653 7.050 50 10 JKGE Cc1cc(Br)c([C@H](Br)Cc2ccccc2I)s1 1940445776 SAFYVWZCAWFSOX-LLVKDONJSA-N 486.010 6.102 50 10 JKGE CN(c1ccc(CBr)cc1Br)[C@@H]1CC(C)(C)[C@@H]1OCc1ccccc1 2038794375 KPPQQSMUGBLAFR-WOJBJXKFSA-N 467.245 6.164 50 10 JKGE CC(C)(C)[C@@H](C[C@H](Br)c1cc(Br)sc1Br)C(F)F 2048750549 WIWANINNFDKQIU-YUMQZZPRSA-N 469.027 7.027 50 10 JKGE Brc1cc(Br)c([C@H](Br)[C@H]2CCCCC23CCC3)s1 2053387434 RQEWBOUQWOOMEJ-BXKDBHETSA-N 457.069 7.070 50 10 JKGE CC(C)CN(Cc1ccccc1)S(=O)(=O)c1cc(Br)cc(CBr)c1F 2059292450 XHHFDBHSBVHVAY-UHFFFAOYSA-N 493.236 5.330 50 10 JKGE Cc1cc([C@@H](Br)Cc2ccncc2Br)ccc1I 2086040112 UMCCUNNLZZGRNH-LBPRGKRZSA-N 480.969 5.436 50 10 JKGE C[C@@]1(C(F)(F)F)C[C@]1(CBr)Cc1c(Br)cccc1Br 2105517613 LSYLBBYPKOKFSU-NEPJUHHUSA-N 464.945 6.108 50 10 JKGE CN(Cc1c(Br)cccc1Br)C1(CBr)CC(C)(C)C1 2108322005 ALEAZUJMTZSFLS-UHFFFAOYSA-N 454.044 5.597 50 10 JKGE Fc1ccc(I)cc1[C@@H](Br)Cc1c(F)cccc1Cl 2113352618 CQHYZYOKUNEWSU-NSHDSACASA-N 457.483 5.902 50 10 JKGE Cc1cc(Br)c([C@H](Br)C[C@@H]2C[C@@H]2C(F)(F)F)cc1Br 2128765887 IZQFNAUAUKRZMJ-QOSJWCAFSA-N 464.945 6.545 50 10 JKGE Cc1cc(Br)c(C)c([C@H](Br)[C@@H]2[C@@H]3CCOC[C@H]32)c1Br 2136375397 VATQIABZAOBZIY-VWFAINMRSA-N 453.012 5.547 50 10 JKGE Cc1c(Br)ccc([C@H](Br)[C@H]2CCCOC2(C)C)c1Br 2138852808 OXKFOLRAIZPHSB-RISCZKNCSA-N 455.028 6.161 50 10 JKGE CCc1occ(C)c1[C@@H](Br)c1ccc(Br)c(C)c1Br 2138865030 PWYFCFBETBWHRD-HNNXBMFYSA-N 450.996 6.468 50 10 JKGE Clc1cc(CC2(CBr)CC3(CCCC3)C2)ccc1I 2142941735 XVJJYIVTZBIRPK-UHFFFAOYSA-N 453.589 6.223 50 10 JKGE CC(C)(C)OC(=O)N[C@H]1CN(CC2(CBr)CCCCC2)CC[C@@H]1C(F)(F)F 2163058850 ODVFMDFNVBIRNW-GJZGRUSLSA-N 457.375 5.109 50 10 JKGE CC(C)CO[C@H](C)CC(CBr)(CBr)c1ccccc1Br 2165514858 ZSTVIUUNSOGOEU-CYBMUJFWSA-N 471.071 5.928 50 10 JKGE Clc1ccc(I)c([C@H](Br)Cc2ccc3c(c2)CCO3)c1 2168654613 RXBFNLBPVRJOSF-CQSZACIVSA-N 463.540 5.558 50 10 JKGE CC(C)(F)[C@@](C)(F)CC(CBr)(CBr)c1cccc(Br)c1 2168974071 TXZGYROSIFITQH-AWEZNQCLSA-N 477.025 6.343 50 10 JKGE CN(Cc1cc(Br)ccc1Br)C1(CBr)CC2(CCC2)C1 2175152403 NGLPCHUXLRDDIR-UHFFFAOYSA-N 466.055 5.741 50 10 JKGE O=S(=O)(c1ccc(CBr)cc1F)N(Cc1ccccc1)CC1CCCCC1 2179786192 WYCYWJPMPXWNPT-UHFFFAOYSA-N 454.405 5.492 50 10 JKGE CCc1nn(C)c([C@H](Br)c2sc(COC)cc2Br)c1Br 2192385959 ZLFXYPPSGYOWEW-NSHDSACASA-N 487.055 5.200 50 10 JKGE Cc1cc(Br)c(C)c([C@H](Br)C[C@@H]2C[C@H]3CC[C@H]2C3)c1Br 2201074872 STPLWPBNCHPHQV-PWNZVWSESA-N 465.067 7.091 50 10 JKGE Cc1ccc(I)c(C(=O)N(Cc2ccccc2)[C@@H](CCl)C2CC2)c1 2217401130 AVNZNQXLKIIQIN-IBGZPJMESA-N 453.751 5.259 50 10 JKGE COc1ccc([C@@H](Br)c2sc(Br)cc2C)c(Br)c1 2223964633 WTBVPYIVGVJUOQ-GFCCVEGCSA-N 455.009 6.074 50 10 JKGE CC(C)n1nc(Br)cc1C[C@H](Br)c1ccccc1Br 2224274323 YKFXUMDOWSXILO-ZDUSSCGKSA-N 451.000 5.668 50 10 JKGE CC1(C)[C@@H]2CC([C@@H](Br)c3c(Br)cc(Cl)c(Cl)c3Cl)C[C@H]21 2232530361 QXCPROBTSDFYIS-DNSOKLHBSA-N 461.452 7.528 50 10 JKGE Cc1nc2c(cc1Br)nc([C@H](C)Cl)n2C[C@@H]1CC1(Br)Br 2233042768 YGEBENRYDSFYOA-XPUUQOCRSA-N 486.433 5.308 50 10 JKGE Fc1cc(Br)c(Br)cc1[C@@H](Br)C1CC2(C1)CC(F)(F)C2 2233977525 VVDOVQRHQJWLLX-LBPRGKRZSA-N 476.956 6.612 50 10 JKGE CCC1CCC([C@@H](Br)c2c(Br)cc(C)c(Br)c2C)CC1 2235603540 JSTZSIQZZGEFRI-QWQCLYJRSA-N 467.083 7.481 50 10 JKGE Cc1cc([C@H](Br)c2cc(Cl)c(Br)cc2F)cc(C)c1Br 2235678956 OURPJDLIPULPSL-HNNXBMFYSA-N 485.416 7.105 50 10 JKGE FC(F)[C@@H]1CCC[C@@H]1[C@H](Br)c1sc(Br)cc1Br 2249208892 OAZSGKQRDKFXEF-MYINAIGISA-N 452.984 6.391 50 10 JKGE N#CC(=C(Cl)c1cc(I)ccc1Br)c1cnsc1 2258909075 IAKDYTGTGPHBHD-UHFFFAOYSA-N 451.514 5.141 50 10 JKGE CCc1nn(C)c([C@H](Br)c2sc(C)c(C)c2Br)c1Br 2264468973 OSHDVYKPMNNQEV-NSHDSACASA-N 471.056 5.670 50 10 JKGE Clc1cc(Br)c([C@H](Cl)c2cccc(Cl)c2Br)c(Cl)c1Cl 2283199562 HVQLOLCJXIJJCS-LLVKDONJSA-N 498.256 8.153 50 10 JKGE Cc1cc(C)c([C@H](Cl)c2ccc(Cl)c(I)c2)c(C)c1Br 2283585559 CYYLCVWVLGBTGA-MRXNPFEDSA-N 484.002 6.961 50 10 JKGE COc1c([C@@H](Cl)c2cc(I)sn2)cc(Br)c2c1CCC2 2284515905 LTFPCZUVPXJBFV-CYBMUJFWSA-N 484.584 5.336 50 10 JKGE Fc1cc(Br)c(F)c(Br)c1[C@@H](Br)[C@@]12CCC[C@@H](C1)OC2 2288349275 NZBPRYIQZUBUSB-MEYOVJIESA-N 474.965 5.885 50 10 JKGE Fc1cc(Br)c(F)c(Br)c1[C@H](Br)[C@@H]1C[C@H]2O[C@H]1[C@H]1C[C@H]12 2288496675 KEOMVYGQYHFJBS-GGVHHTSLSA-N 472.949 5.349 50 10 JKGE Cc1cc(C)cc(OCCOc2c(Cl)cc(Cl)cc2C=C(C#N)C(=O)NCc2ccccc2)c1 2293233205 LCGJXTXEVFNJMO-UHFFFAOYSA-N 495.406 6.291 50 10 JKGE CCOC(=O)C(C#N)=Cc1cc(Cl)c(OCCOc2ccc([C@@H](C)CC)cc2)c(OC)c1 2293519285 YADKEAYJJRITAU-KRWDZBQOSA-N 457.954 5.790 50 10 JKGE Cc1cccc(OCCOc2c(Cl)cc(Cl)cc2C=C(C#N)C(=O)NCc2ccccc2)c1 2293582595 DRSFLFWEWHVMEC-UHFFFAOYSA-N 481.379 5.983 50 10 JKGE N#CC(=CNc1ccc(Br)cc1)c1nc(-c2cccc(Br)c2)cs1 2295891373 LNAIHBQBLPULIN-UHFFFAOYSA-N 461.182 6.312 50 10 JKGE Cc1ccc(C[C@@H]2SC(=C(C#N)C(=O)Nc3ccc(F)cc3)N(c3ccc(C)cc3)C2=O)cc1 2297468269 RBYJHADLRRXOCC-DEOSSOPVSA-N 471.557 5.508 50 10 JKGE Brc1cc(OCc2ccccc2)ccc1[C@H](Br)[C@@H]1C[C@@H]2C[C@@H]2CO1 2299488384 GBKYKWAYQHOUHH-VZJWBNGJSA-N 452.186 5.889 50 10 JKGE FC(F)[C@H]1CCc2c(OCc3ccccc3)ccc(Br)c2[C@H](Br)C1 2299526637 ZTKLAUODAOWZOT-XJKSGUPXSA-N 460.156 6.682 50 10 JKGE CCN(C[C@@](C)(CI)O[C@H](CC1CC1)C1CC1)C(=O)OC(C)(C)C 2303851028 YMBIRNFDIAEQML-VQIMIIECSA-N 451.389 5.032 50 10 JKGE CCOC(=O)COc1ccc(C=C(C#N)C(=O)Nc2cccc(Cl)c2Cl)cc1Br 2313570892 IQFXFQADNUCSIR-UHFFFAOYSA-N 498.160 5.243 50 10 JKGE Cc1cc(Br)ccc1[C@H](Cl)c1ccc(OCc2ccccc2)cc1Br 2314451352 DQDYULDYRMGHAG-NRFANRHFSA-N 480.627 7.427 50 10 JKGE Brc1ccc(OCc2ccccc2)c([C@H](Br)[C@@H]2[C@H]3CCCCC[C@H]32)c1 2314461541 QUBFPBITECVACY-KKXYHZGYSA-N 464.241 7.290 50 10 JKGE Cc1c([C@H](Cl)c2cc(Br)ccc2OCc2ccccc2)c(Br)nn1C 2314494589 JQVPWHOESUFQOI-GOSISDBHSA-N 484.619 6.161 50 10 JKGE Cc1cccc([C@@H](Br)c2c(Cl)sc(Cl)c2C)c1I 2314512796 NAULTSAZZXRTME-SNVBAGLBSA-N 476.004 6.761 50 10 JKGE CCc1ccc(N2C(=O)[C@H](Cc3ccccc3F)SC2=C(C#N)C(=O)Nc2ccc(C)cc2)cc1 2314592221 OCXJHHHOQYSUQI-VWLOTQADSA-N 485.584 5.762 50 10 JKGE CC(C)(C)[C@H](CBr)COCc1cc(I)ccc1Br 2318981825 GTKNZTCRJBBMNB-LLVKDONJSA-N 490.017 5.628 50 10 JKGE COc1ccc([C@@H](Cl)c2csc(C)c2Br)cc1I 2320419692 JTUCNYUSMUGPAY-CYBMUJFWSA-N 457.558 5.760 50 10 JKGE COc1ccc(OCCCC(=O)Oc2ccc(C=C(C#N)c3ccccc3F)cc2OC)cc1 2320506616 NHCORTNPPKMKFJ-UHFFFAOYSA-N 461.489 5.672 50 10 JKGE Cc1nc(-c2ccc(Cl)c(Cl)c2)ccc1C(=O)NNC(=O)C=Cc1ccc(C(C)C)cc1 2321176150 DMVCKKZLPZFGHS-UHFFFAOYSA-N 468.384 5.962 50 10 JKGE COc1ccc(C=NNC(=O)CCCCCNC(=O)OC(C)(C)C)cc1OCc1ccc(C)cc1 2328835353 WOESROWSBRDYPM-UHFFFAOYSA-N 483.609 5.118 50 10 JKGE CCc1ccc(-c2csc(C(C#N)=C(O)[C@@H](CC(C)C)N3C(=O)c4ccccc4C3=O)n2)cc1 2331245579 ZCGQHVVKBHPSFC-HSZRJFAPSA-N 471.582 5.876 50 10 JKGE COc1ccc(OCC(O)=C(C#N)c2nc(-c3ccc(OC)c(C)c3)cs2)c(C(C)(C)C)c1 2331259307 NLOOBHOYTRJPFF-UHFFFAOYSA-N 464.587 6.305 50 10 JKGE COc1cc(C)c(-c2csc(C(C#N)=Cc3ccc(Br)cc3)n2)cc1C(C)C 2331464144 CXUSKQNIHZVXLG-UHFFFAOYSA-N 453.405 7.077 50 10 JKGE CC(C)(C)O[C@H]1C[C@@H]([C@@H](Br)c2ccc(OCc3ccccc3)cc2Br)C1 2336041280 MTNZDJOUAKQDMH-PLMTUMEDSA-N 482.256 7.058 50 10 JKGE FC(F)(F)c1sccc1[C@@H](Cl)c1ccc(OCc2ccccc2)cc1Br 2336041385 NNKOXYWALXGMKT-KRWDZBQOSA-N 461.730 7.437 50 10 JKGE Cc1cc(Br)c(F)c(Br)c1[C@@H](Br)[C@H]1C[C@H]2CC[C@H]1O2 2339652290 XYQVRKXNFIXOHC-CCCLYZFWSA-N 456.975 5.663 50 10 JKGE Cc1cc(Br)c(F)c(Br)c1[C@@H](Br)C(F)(F)CC1CC1 2339683109 ZRKOBTMEYVYLGU-GFCCVEGCSA-N 464.945 6.531 50 10 JKGE Brc1cccc(Br)c1CO[C@@H]1CCCCCC[C@@H]1Br 2340565235 BBWJLNLVZJTHFU-LSDHHAIUSA-N 455.028 6.215 50 10 JKGE CC(C)[C@@H]1CC[C@@H](Br)[C@@H](Cc2cc(I)ccc2Cl)C1 2352440597 GENJKOKTOBTUIA-LALPHHSUSA-N 455.605 6.323 50 10 JKGE Fc1cc(Br)c(F)c(Br)c1[C@@H](Br)[C@@H]1[C@@H]2[C@H]1CCC2(F)F 2359721271 QZIDBFPFIUNXIB-QGAWMNOPSA-N 480.919 6.217 50 10 JKGE Brc1cc(OCc2ccccc2)ccc1[C@H](Br)c1ccc2c(c1)CCCC2 2361188914 HWDUYZRMRHKUTM-XMMPIXPASA-N 486.247 7.391 50 10 JKGE O=C(c1cc(Br)sc1Br)N1CC[C@H](Br)C[C@@H]1C(F)(F)F 2361465110 VMLVEKUBJLWHNS-CAHLUQPWSA-N 499.972 5.204 50 10 JKGE COC1([C@H](Br)c2c(Cl)cc(Br)c(F)c2Br)CC(CF)C1 2362231173 DGVGFWCIKXYBJR-SKPUXYCPSA-N 497.399 6.205 50 10 JKGE CCN[C@H](c1c(C)cc(Br)c(OC)c1Br)C1CC(Br)C1 2365183870 MJNRJBKVNKDHPG-FDZGAKKTSA-N 470.043 5.353 50 10 JKGE COc1c(Br)cc(C)c([C@H](Br)[C@H]2C[C@@H]2C2CCC2)c1Br 2365219998 TTXNJOIWBLJZPF-UHIISALHSA-N 467.039 6.401 50 10 JKGE CCCCO[C@@H]1[C@H](Br)C[C@H]1OCc1c(Br)cccc1Br 2366144429 FJMAAOAQUIFJBP-RBSFLKMASA-N 471.027 5.449 50 10 JKGE CCCc1sc(Br)cc1[C@H](Br)c1c(Cl)cc(F)cc1Cl 2366409352 UEUBLAYTVAFDOT-AWEZNQCLSA-N 461.021 7.393 50 10 JKGE ClC[C@]12CCCC[C@@H]1CN(Cc1ccc(I)c(Br)c1)C2 2377312762 AXTDXACQWPLXGZ-CJNGLKHVSA-N 468.604 5.285 50 10 JKGE CCc1cc(Br)c(OC)c([C@H](Br)c2ccc(OCc3ccccc3)cc2)c1 2381254689 SROZNHWGJIYOOC-JOCHJYFZSA-N 490.235 7.083 50 10 JKGE Cc1ccc(C(C)C)c(OCC(=O)NNC(=O)c2ccc(OCCC(C)C)c(Br)c2)c1 14645675 FFQWSZJHHCKCQU-UHFFFAOYSA-N 491.426 5.146 50 10 JKGE Cc1cc([C@H]2C(C#N)=C(N)N(c3cc([N+](=O)[O-])ccc3Cl)C3=C2C(=O)CC(C)(C)C3)c(C)s1 27550485 YPLMDRHYQKHVQY-NRFANRHFSA-N 482.993 5.867 50 10 JKGE Cc1ccc([C@H]2C(C#N)=C(N)OC3=C2S(=O)(=O)N(Cc2ccc(Cl)cc2)c2ccccc23)cc1 33267915 HQPLMJWNYSWTDG-QHCPKHFHSA-N 489.984 5.175 50 10 JKGE N#C/C(=C\c1ccc(-n2nc(-c3ccccc3)cc2-c2ccccc2)cc1)c1nc2ccccc2[nH]1 33568608 CHIOHIPGXPBSDV-NCELDCMTSA-N 463.544 7.147 50 10 JKGE Cc1cc(/C=C(/C#N)c2nnc3n2CCCCC3)c(C)n1-c1cc(C(F)(F)F)ccc1Cl 33787613 JMJJMZINYUYLRN-BOPFTXTBSA-N 459.903 6.148 50 10 JKGE COc1cc(/C=C(/C#N)C(=O)Nc2ccc([N+](=O)[O-])cc2C)ccc1OCc1ccc(F)cc1 33930474 SPHYFAMQVFEQHC-UNOMPAQXSA-N 461.449 5.176 50 10 JKGE CCOc1cc(/C=C(/C#N)C(=O)Nc2c(C)cc(C)cc2C)ccc1OC(=O)c1ccccc1 34911651 NTAIOWGAKKVTHM-HAHDFKILSA-N 454.526 5.775 50 10 JKGE CC(C)c1ccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)[C@H](C)Oc4ccccc4F)ccc32)cc1 38649531 LECCSBQRPRWUJM-MRDQGFSESA-N 472.516 5.540 50 10 JKGE CCCOc1ccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)[C@H](C)Oc4ccc(F)cc4)ccc32)cc1 38650677 HBCXGLPBUKXMKZ-MRDQGFSESA-N 488.515 5.206 50 10 JKGE N#CC1=C(N)Oc2cc(OC(=O)c3cccc(Cl)c3)ccc2[C@@H]1c1ccc(Br)cc1 38651774 JMSQFCIFNHILIM-NRFANRHFSA-N 481.733 5.540 50 10 JKGE N#C/C(=C\c1ccc(-c2ccccc2Cl)o1)C(=O)Nc1ccc(C(F)(F)F)c(Cl)c1 39884860 PYEQXRJTPIKENK-FMIVXFBMSA-N 451.231 6.818 50 10 JKGE CC1=C(C#N)C(=O)N(Cc2ccccc2)C(=O)/C1=C/c1cn(-c2ccccc2)nc1-c1cc(C)ccc1C 40514501 CQEJMYOXWUDZKB-OGLMXYFKSA-N 498.586 5.949 50 10 JKGE Cc1ccc(C(=O)N/N=C2\CCCc3oc(C(=O)Nc4ccc(Cl)cc4Cl)c(C)c32)cc1 40804454 QCDPBKHMPCCIJB-TURZUDJPSA-N 470.356 5.926 50 10 JKGE CCCCOc1ccc(/C=N/NC(=O)COc2cc(C)c(Cl)c(C)c2Br)cc1OC 40950745 QYXLJEJVJKAVSE-BRJLIKDPSA-N 497.817 5.436 50 10 JKGE O=C(N/N=C(/CSc1nc2ccccc2[nH]1)c1cccc(Br)c1)c1ccccc1Cl 59460729 ZZSWAGJTBQQZIV-OOAXWGSJSA-N 499.821 5.905 50 10 JKGE COc1ccc(/C=C(/C#N)C(=O)Nc2ccc(C(C)C)cc2)cc1COc1cccc2cccnc12 96438719 GKZMMBFZHBGQDH-JLPGSUDCSA-N 477.564 6.491 50 10 JKGE Fc1cc(Br)c(Cl)cc1[C@@H](Br)Cc1ccc(Br)cc1 97895987 QCUFJWKAFJWZJL-NSHDSACASA-N 471.389 6.683 50 10 JKGE C[C@H]1CCCCN1C(=O)[C@@]12CC[C@@](C(Br)Br)([C@@H]1Br)C2(C)C 100935286 PIUSTXQHXAPGON-KUDNYVPYSA-N 486.086 5.073 50 10 JKGE CC1=C(C#N)C(=O)N([C@H](C)c2ccccc2)C(=O)/C1=C/c1ccc(OCc2ccc(F)cc2)cc1 101337928 IDZIMUUHLMYLBC-RHKYMZEHSA-N 466.512 5.758 50 10 JKGE BrCC(CBr)(CC1CCOCC1)c1ccccc1Br 118671973 SYQOLOHWUMUQLC-UHFFFAOYSA-N 455.028 5.293 50 10 JKGE Cc1cc([C@H](Br)c2cc(Br)ccc2Br)ccc1Br 137894424 MDOOIMMBNJUVHK-AWEZNQCLSA-N 497.850 6.767 50 10 JKGE CC1(C)C(=O)Nc2ccc([C@H](Br)c3ccccc3I)cc21 157621149 NUTRITWVMUNXBH-HNNXBMFYSA-N 456.121 5.005 50 10 JKGE ClCC(CCl)(Cc1ccc(Br)cc1Cl)c1ccccc1Br 168966851 RTSDXMHSCLRVPR-UHFFFAOYSA-N 471.447 6.823 50 10 JKGE N#C/C(=C/c1ccc(OC(=O)/C=C\c2ccco2)cc1)c1nc(-c2cc3ccccc3oc2=O)cs1 210603778 YHRDAYPVRKGCIY-PLPGPOEOSA-N 492.512 6.192 50 10 JKGE CC[C@H](NC(=O)/C(C#N)=C\Nc1cc(OC)c(Cl)cc1OC)c1ccc2c(c1)CCCC2 217192560 WNJOIQOERCPSDP-SACXWWFQSA-N 453.970 5.323 50 10 JKGE N#Cc1ccccc1COc1c(Br)cc(CBr)cc1Br 232484787 MIEAVULIHFVHBQ-UHFFFAOYSA-N 459.963 5.557 50 10 JKGE COc1ccc([C@@H](Br)c2ccc(Br)cc2Br)c(F)c1 234976469 SVBGVWAHTIKLLK-AWEZNQCLSA-N 452.943 5.844 50 10 JKGE Cc1c(C)c(C)c([C@@H](Br)c2cc(Br)sc2Br)c(C)c1C 235831948 JIQCPVBEFNCEIT-HNNXBMFYSA-N 481.091 7.300 50 10 JKGE CCOc1ccc(C=NNC(=O)Cc2csc(Nc3cccc(C(F)(F)F)c3)n2)c(OCC)c1 252632938 VYEBBQUIGYMRMZ-UHFFFAOYSA-N 492.523 5.396 50 10 JKGE aggregator O=C(NN=Cc1c(-c2ccccc2)n(-c2ccccc2)c2ccccc12)[C@H]1COc2ccccc2O1 254480009 PYPOOKHBSKHCQS-MUUNZHRXSA-N 473.532 5.588 50 10 JKGE CCCCCCCCOc1ccc(-c2cc(C(=O)NN=Cc3ccc(N(CC)CC)cc3)[nH]n2)cc1 254765706 ZJRKKSZFGLXUKK-UHFFFAOYSA-N 489.664 6.426 50 10 JKGE CN(C)c1ccc(C=NNC(=O)c2cc(-c3ccccc3OCc3cccc4ccccc34)n[nH]2)cc1 254843986 FHBYFPHTSJXMQM-UHFFFAOYSA-N 489.579 5.639 50 10 JKGE Cl[C@H](c1cc2c(cc1Br)OCC2)c1cc(Br)sc1Br 308409428 BWEXBUPELWNLGN-GFCCVEGCSA-N 487.438 6.299 50 10 JKGE ClCc1cc(Br)cc(Br)c1OCc1cc(Br)cs1 311046600 TVUFTYDIEVEIHO-UHFFFAOYSA-N 475.427 6.353 50 10 JKGE Fc1cccc(Br)c1[C@@H](Br)c1scc(C(F)(F)F)c1Br 312357940 JNUHWXXCVYMYOY-SNVBAGLBSA-N 496.943 6.915 50 10 JKGE CC(C)(C)OC(=O)N1CCC(CI)(O[C@H]2C[C@H]3CC[C@@]2(C)C3(C)C)CC1 382065845 QBCPEACTPUCZCR-GQIGUUNPSA-N 477.427 5.423 50 10 JKGE COc1ccc([C@@H](Br)c2cccc(OCc3ccccc3)c2)cc1Br 385895994 FDVWOCROKBEXMY-NRFANRHFSA-N 462.181 6.521 50 10 JKGE ClCCc1nc2cc(I)ccc2n1C1[C@H]2C[C@H]1CN(Cc1ccccc1)C2 399657749 OVHMVQXGYGHMDX-IRXDYDNUSA-N 491.804 5.115 50 10 JKGE Clc1cc([C@H](Br)c2csc(Br)c2)c(Cl)c(Cl)c1Cl 404983440 HEFRTYWEWLKMIF-MRVPVSSYSA-N 469.840 7.609 50 10 JKGE CC(=O)O[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)C1=O 498049369 RCRNHNQUADUPMA-FRUOIRPNSA-N 460.731 6.450 50 10 JKGE Cc1cc(C=NNC(=O)c2ccc(CSCc3ccccc3)cc2)c(C)n1-c1cccc(Cl)c1 725420943 HYPFGMKFMLWUDP-UHFFFAOYSA-N 488.056 6.945 50 10 JKGE COc1ccc(Cl)cc1NC(=O)C(=O)NN=Cc1ccc(-c2ccc(Cl)c(Cl)c2)o1 1083946764 OYAOSDAOCIGRPN-UHFFFAOYSA-N 466.708 5.004 50 10 JKGE Cc1cc(C)c(C(CSc2nc3ccccc3s2)=NNC(=O)c2cccc(Cl)c2)cc1C 1083962470 QDDTWVCEGTVYMF-UHFFFAOYSA-N 480.058 6.801 50 10 JKGE CCOc1cc(C=NNC(=O)C(O)(c2ccccc2)c2ccccc2)ccc1OCc1cccc(F)c1 1084371937 HSUKMFNMEBMXER-UHFFFAOYSA-N 498.554 5.190 50 10 JKGE Cc1ccccc1NC(=O)c1oc2c(c1C)C(=NNC(=O)c1ccc(-c3ccccc3)cc1)CCC2 1772746923 IWYGHGZTTHADKH-UHFFFAOYSA-N 477.564 6.286 50 10 JKGE COc1cccc(C(=O)NN=C2CCCc3oc(C(=O)N4c5ccc(F)cc5CC[C@@H]4C)c(C)c32)c1 1772749409 KTJBTMAJGTXLHJ-INIZCTEOSA-N 489.547 5.188 50 10 JKGE COc1ccc(OCC(=O)NN=Cc2ccc(OCc3c(Cl)cccc3Cl)c(OC)c2)cc1 1772754181 QCZROAXNBHNIFC-UHFFFAOYSA-N 489.355 5.119 50 10 JKGE CC(C)[C@H]1CC[C@@H](C)C[C@@H]1OC(=O)[C@H](C)Oc1cccnc1NC(=O)Nc1ccc(SC#N)cc1 1858866931 ZUORVCKFPIOEJL-JHBZICRXSA-N 496.633 6.070 50 10 JKGE CCCCOc1ccc([C@@H]2C(C#N)=C(N)Oc3c2c(CC)nn3-c2ccc(Cl)c(Cl)c2)cc1 1865690164 KIXNFKFSHVJRKH-JOCHJYFZSA-N 483.399 6.139 50 10 JKGE CCCc1nn(-c2ccccc2Cl)c2c1[C@H](c1cccc(OC)c1OCC)C(C#N)=C(N)O2 1865692541 GZXSLYDBGHBIFK-OAQYLSRUSA-N 464.953 5.104 50 10 JKGE COc1ccc(-c2nn(Cc3ccc(C)cc3)c3c2[C@@H](c2sccc2C)C(C#N)=C(N)O3)cc1 1865698833 DIEHWJOLVMIQHK-QFIPXVFZSA-N 468.582 5.504 50 10 JKGE COc1cccc([C@@H]2C(C#N)=C(N)Oc3c2c(-c2ccccc2)nn3-c2ccc(C)cc2)c1OC 1865701468 WFDNVPRSTVWFMJ-HSZRJFAPSA-N 464.525 5.083 50 10 JKGE COc1ccc(-n2nc(C)c3c2OC(N)=C(C#N)[C@@H]3c2ccccc2OCc2ccccc2Cl)cc1 1865702847 GMEWHTRYIHCBJV-SANMLTNESA-N 498.970 5.640 50 10 JKGE CCCc1nn(Cc2ccc(Cl)c(Cl)c2)c2c1[C@H](c1ccccc1OC)C(C#N)=C(N)O2 1865709565 CUISQEULYIDNQC-OAQYLSRUSA-N 469.372 5.417 50 10 JKGE CCC[C@H](NC(=O)C[C@@H](c1ccc(Cl)cc1)C(C)C)C(=O)Nc1ccc(SC#N)cc1 1866761431 KXILALHXONEWDR-YADHBBJMSA-N 458.027 5.966 50 10 JKGE COc1c(Cl)ccc(Cl)c1/C(O)=C(\C#N)c1nc(-c2ccc(Cl)cc2Cl)cs1 1872744827 JVGMUVUVSLRPPX-BOPFTXTBSA-N 472.180 7.382 50 10 JKGE COc1cc(/C=C/C(O)=C(\C#N)c2nc(-c3ccc(Cl)cc3Cl)cs2)ccc1OC(C)=O 1872744960 QXLJCSGDDSNZPR-UIZFBHIPSA-N 487.364 6.557 50 10 JKGE COc1ccc(Cl)cc1/C(O)=C(\C#N)c1nc(-c2cc(C(C)C)c(OC)cc2C)cs1 1872753734 KPYNFHZGSZXLPZ-NMWGTECJSA-N 454.979 6.862 50 10 JKGE CC(C)(C)N1C(=O)c2ccc(/C(O)=C(\C#N)c3nc(-c4cc(Cl)ccc4Cl)cs3)cc2C1=O 1872757966 DZLORYSZLRITMH-JZJYNLBNSA-N 498.391 6.461 50 10 JKGE CCCOc1ccc(-c2csc(/C(C#N)=C/c3ccc(OC(=O)c4ccccc4)cc3)n2)cc1 1872790883 JNLGYYTUTXKZKN-HAVVHWLPSA-N 466.562 6.882 50 10 JKGE CCCOc1ccc(-c2csc(/C(C#N)=C(\O)COc3ccccc3)n2)cc1OCCC 1872818184 QHZCEYDEUXYVHD-XDOYNYLZSA-N 450.560 6.259 50 10 JKGE FC1(F)CC[C@@H](Cc2cc(Br)ccc2Br)[C@H](Br)CC1 1881809260 IRSQDFAZAWPMJV-TVQRCGJNSA-N 460.982 6.343 50 10 JKGE Clc1cc(CN(CCBr)Cc2ccccc2)ccc1I 1884279683 USPXJPGSRBKIKR-UHFFFAOYSA-N 464.572 5.342 50 10 JKGE C[C@@H](CCCl)N(Cc1ccccc1)c1ncc(I)cc1Br 1888099419 TVLWMXKBJJYSCQ-LBPRGKRZSA-N 479.587 5.473 50 10 JKGE Cc1nsc(Br)c1[C@H](Br)c1cc(C2CC2)c(Br)s1 1912943410 VXRBJHRPFYEVGQ-SNVBAGLBSA-N 472.065 6.400 50 10 JKGE Brc1cc(Br)c([C@H](Br)c2cc3c(s2)CCCC3)s1 1922946484 RMVWWAMPRZMRJC-GFCCVEGCSA-N 471.077 6.698 50 10 JKGE Clc1c(Br)sc(Br)c1[C@H](Br)C[C@H]1C[C@H]2CC[C@H]1C2 1923037944 HBJPYQBHOFJEBI-RBXMUDONSA-N 477.487 7.189 50 10 JKGE Brc1sc(Br)c([C@H](Br)[C@H]2C[C@H]2C2CC2)c1Br 1924612766 NNKMWQORACIQDT-VMHSAVOQSA-N 493.884 6.518 50 10 JKGE Fc1ccc(Br)c([C@@H](Br)c2sc(Cl)cc2Br)c1 1948827654 CGDHISLZKVKBIQ-SNVBAGLBSA-N 463.391 6.550 50 10 JKGE Clc1ccc(I)c(-n2c(Cl)nc(Cl)c2CBr)c1 2006638810 ORMNNSOOKAFPGK-UHFFFAOYSA-N 466.331 5.332 50 10 JKGE O=C(c1csc(Br)c1Br)N1CCC[C@@H]1CCCBr 2032954020 UWYKPHSSYWHQOQ-QMMMGPOBSA-N 460.029 5.053 50 10 JKGE Brc1cc([C@H](Br)c2cccc(C3CC3)c2)c(Br)s1 2036357893 IKLRCSRGKQNBQE-CYBMUJFWSA-N 451.021 6.635 50 10 JKGE Fc1cc(Cl)c(Br)cc1[C@@H](Br)c1scc(Cl)c1Cl 2036569282 UFDNQUTWLYZBGF-SECBINFHSA-N 453.385 7.094 50 10 JKGE CC1(C)C[C@@H](C[C@H](Cl)c2c(Br)sc(Br)c2Br)CO1 2041482297 JYBKKRBDOUIPIX-RQJHMYQMSA-N 481.475 6.521 50 10 JKGE COC[C@@H]1CC[C@H]([C@@H](Br)c2sc(Br)c(C)c2Br)C1 2061292682 LNVLKKVTCSJIBT-WCABBAIRSA-N 461.057 6.080 50 10 JKGE CCc1nn(C)c([C@@H](Br)c2cc(Br)c(C)s2)c1Br 2072302894 QCCFYXDYFAXXIW-NSHDSACASA-N 457.029 5.362 50 10 JKGE CC(C)c1cc(C(F)(F)F)ccc1-n1nc(CBr)c(Br)c1C(F)(F)F 2079235067 MYVGUCASVMUYQN-UHFFFAOYSA-N 494.071 6.691 50 10 JKGE Fc1ccc([C@H](Cl)Cc2ccccc2I)c(F)c1Br 2087569877 LQLIDNDRXAPSLG-SNVBAGLBSA-N 457.483 5.855 50 10 JKGE Cc1cc(Br)c([C@H](Br)C2(C(F)(F)F)CCC2)cc1Br 2087971575 UQVGWUINUDSEAJ-NSHDSACASA-N 464.945 6.689 50 10 JKGE BrC[C@@H]1CC2(CCC2)CN1Cc1cccc(Br)c1Br 2095173739 RFKWZUANWXRSRZ-LBPRGKRZSA-N 452.028 5.351 50 10 JKGE CCOc1ccc([C@@H](Br)c2cc(Br)sc2C)c(Br)c1 2095700203 VTXYEGRZEFDEOH-CQSZACIVSA-N 469.036 6.465 50 10 JKGE Cc1c(Br)sc([C@@H](Br)[C@H]2CCCCCC2(F)F)c1Br 2108661334 FNGQEXWTOWOVNU-SCZZXKLOSA-N 481.038 7.233 50 10 JKGE C[C@@H](NCCSSCCNC(=O)OC(C)(C)C)c1ccc(Cl)c(Cl)c1Cl 2125292276 GCXOVNPMHOBWRZ-LLVKDONJSA-N 459.892 6.204 50 10 JKGE Cc1cc(Br)c(C)c([C@H](Br)CC2CC(C)(C)C2)c1Br 2136373363 BCZLCGJLQGFTLV-CYBMUJFWSA-N 453.056 7.091 50 10 JKGE Cc1cc(Br)c(C)c([C@H](Br)[C@@H]2C(F)(F)C23CC3)c1Br 2136374303 KUCQXAXCTMYSLL-RYUDHWBXSA-N 458.966 6.310 50 10 JKGE CCc1ccc([C@@H](Br)c2c(C)c(Br)cc(C)c2Br)o1 2136379690 NCRVQGGQPVNKQW-OAHLLOKOSA-N 450.996 6.468 50 10 JKGE Brc1ccc(Br)c([C@H](Br)[C@@H]2C[C@H]3COC[C@H](C3)C2)c1 2141799469 LHCQRGLUAOCVPL-DZHLUBAWSA-N 453.012 5.710 50 10 JKGE O=C(N[C@H]1CCCC[C@@H]1CCBr)c1ccc(I)c(Cl)c1 2146719966 QIDACBWCFZTEKP-YGRLFVJLSA-N 470.576 5.018 50 10 JKGE Cl[C@H](c1ccccc1)c1nnc(-c2csc(Br)c2Br)s1 2150342281 UIKCWHKEYDTQRL-SNVBAGLBSA-N 450.608 6.120 50 10 JKGE Fc1ccc(CBr)c(OCc2c(Br)cccc2Br)c1F 2150490051 UHMQNDNFVFCOET-UHFFFAOYSA-N 470.933 5.964 50 10 JKGE O=C(NCC1(CBr)CCCCC1)c1c(Br)cccc1Br 2150490206 FYGPXUVTZYQVLC-UHFFFAOYSA-N 468.027 5.287 50 10 JKGE CC1(C)CCO[C@H]1CC(CBr)(CBr)c1cccc(Br)c1 2154273032 BPHVCTQEXHEFCX-AWEZNQCLSA-N 469.055 5.682 50 10 JKGE Clc1cc([C@@H](Br)c2c(Cl)cccc2Br)c(Cl)c(Cl)c1Cl 2169463151 ACTSUXCYJJMXMC-SNVBAGLBSA-N 498.256 8.200 50 10 JKGE O=C1Cc2cc([C@@H](Cl)c3cc(Br)c(Cl)s3)c(Br)cc2N1 2172569358 MCMKULPAXRHBRH-GFCCVEGCSA-N 455.986 5.749 50 10 JKGE C[C@@H]1[C@@H](O[C@@](C)(CI)c2ccccc2Br)CCC[C@H]1C 2201017300 NVHQJFIKBWYTFS-OQUILHJVSA-N 451.186 5.941 50 10 JKGE Cc1cc(Br)c(C)c([C@H](Br)[C@H]2C[C@@H]3CCC[C@@H]3C2)c1Br 2201070447 BPYMZQKWPWPAMQ-IPJQOSJUSA-N 465.067 7.091 50 10 JKGE Cc1cc(C)c(C)c([C@H](Cl)c2ccc(Br)cc2I)c1C 2207272458 NTGDMNBFLZCUIJ-QGZVFWFLSA-N 463.584 6.616 50 10 JKGE COc1cc(Br)c([C@H](Br)c2csc(Br)c2)cc1C 2220436229 DOEOFACRWCVOIO-CYBMUJFWSA-N 455.009 6.074 50 10 JKGE Fc1cc(F)c([C@H](Cl)c2csc(I)c2)c(F)c1Br 2220507600 PSZCLLJSXNQQMB-SNVBAGLBSA-N 467.475 5.861 50 10 JKGE CC(C)C[C@H](C(C)C)[C@@H](Br)c1cc(Br)c(Br)cc1F 2225614887 AJTFJYLADJUXIY-MEBBXXQBSA-N 459.035 7.105 50 10 JKGE Fc1cc(Br)c(Br)cc1[C@H](Br)[C@@H]1C[C@H]2C[C@H]1[C@H]1C[C@H]12 2225620044 QBIFLKAGEYCDDG-AGYZQGEOSA-N 452.987 6.079 50 10 JKGE CC(C)(C)C1([C@H](Br)c2c(Br)cc(Cl)c(Cl)c2Cl)CCC1 2232517621 UYSKTUNOZMLTSD-CYBMUJFWSA-N 463.468 8.062 50 10 JKGE CC1([C@@H](Br)c2ccc(Br)cc2Br)CC2(CC(F)(F)C2)C1 2239247811 LGBLWKMROQGLRC-LBPRGKRZSA-N 472.993 6.863 50 10 JKGE COc1ccc([C@H](Br)c2sccc2Br)cc1I 2248891493 ZLISNRMVGALGFT-NSHDSACASA-N 487.982 5.608 50 10 JKGE COc1c([C@H](Br)c2sc(Br)cc2Br)csc1C 2250057098 KEWSKJRTWQZKQQ-VIFPVBQESA-N 461.038 6.136 50 10 JKGE Brc1ccc(Br)c([C@H](Br)C[C@H]2CCCCC23CC3)c1 2264950101 XPXZDQOFXLHTEG-IAQYHMDHSA-N 451.040 7.008 50 10 JKGE Cc1cc(F)c([C@@H](Br)c2ccc(Cl)c(I)c2)cc1Cl 2268277471 YKODMLZDGBZIJU-AWEZNQCLSA-N 473.938 6.530 50 10 JKGE C[C@@H]1CCC[C@H]([C@@H](Br)c2c(F)cc(Br)c(F)c2Br)O1 2272721769 LTWPKRHXBCBWSL-KNBVPPQFSA-N 462.954 5.883 50 10 JKGE CC(C)[C@@H]1CCC[C@@H]1[C@H](Br)Cc1cc(Br)cc(Br)c1 2277947385 HPFNRMGVTBCRQL-HRCADAONSA-N 453.056 6.590 50 10 JKGE Fc1cc(Br)c(F)c(Br)c1[C@@H](Br)C1CC(C2CCC2)C1 2288485348 XRZMZBWTZMIQRQ-RPTIHFLNSA-N 472.993 6.752 50 10 JKGE N#CC(=Cc1ccc(-c2ccc([N+](=O)[O-])cc2Cl)o1)C(=O)Nc1ccc(Cl)c(Cl)c1 2293034608 FCTSGBYTAYBBTK-UHFFFAOYSA-N 462.676 6.361 50 10 JKGE COc1ccc(OC)c(NC(=O)C(C#N)=Cc2cn(Cc3ccccc3)nc2-c2ccccc2)c1 2295347877 KQIKDLGMKLIDGQ-UHFFFAOYSA-N 464.525 5.161 50 10 JKGE N#CC(C(=O)Nc1ccc(Cl)cc1)=C1S[C@H](Cc2ccc(Cl)cc2)C(=O)N1c1ccccc1 2296507135 VDIRWHHKAVXNED-JOCHJYFZSA-N 494.403 6.058 50 10 JKGE C=CCOc1c(Br)cc(Br)cc1C=C(C#N)c1nc2ccc(C)cc2[nH]1 2297531821 UDXMWUSZHTXTDH-UHFFFAOYSA-N 473.168 6.025 50 10 JKGE Cc1cc([N+](=O)[O-])ccc1NC(=O)C(C#N)=Cc1cccc(OCc2cccc3ccccc23)c1 2297551474 MSZFEMRFRAVSLD-UHFFFAOYSA-N 463.493 6.181 50 10 JKGE CCC1CC(C[C@H](Br)c2ccc(OCc3ccccc3)cc2Br)C1 2299493559 LLZWHUQORACRBQ-LAGYLCCXSA-N 452.230 7.290 50 10 JKGE C[C@]1(C(F)F)C[C@@H]1[C@H](Br)c1ccc(OCc2ccccc2)cc1Br 2299532321 FVOACRKMFKTPDB-SUMDDJOVSA-N 460.156 6.755 50 10 JKGE CC[C@@H]1CC[C@@H]([C@H](Br)c2ccc(OCc3ccccc3)cc2Br)O1 2299535028 KOAAQBLLIGEUOM-UIAACRFSSA-N 454.202 6.422 50 10 JKGE O=C(c1ccc(Cl)cc1I)N(Cc1ccccc1)[C@H](CCl)C1CC1 2301796614 NEOHZHWWWHWUIU-GOSISDBHSA-N 474.169 5.604 50 10 JKGE Cc1ccc(NC(=O)C(C#N)=Cc2cc(Br)ccc2OCc2ccc(Cl)cc2)cc1 2313570714 DRIOQINAIZCPPR-UHFFFAOYSA-N 481.777 6.536 50 10 JKGE Cc1cccc(NC(=O)C(C#N)=Cc2cc(Br)ccc2OCc2ccccc2Cl)c1C 2313667048 DOXBXIOXRUNHPO-UHFFFAOYSA-N 495.804 6.844 50 10 JKGE Cc1ccc(NC(=O)C(C#N)=Cc2ccccc2OCc2ccc(Cl)cc2Cl)c(C)c1 2313667483 NRZUWSAFCZSJAE-UHFFFAOYSA-N 451.353 6.735 50 10 JKGE C[C@H](NC(=O)C(C#N)=Cc1cc(Br)ccc1OCc1ccccc1F)c1ccccc1 2313676899 VTJJAYNTJGPTSD-KRWDZBQOSA-N 479.349 5.952 50 10 JKGE Fc1ccc([C@@H](Br)c2cc(Br)ccc2OCc2ccccc2)c(Cl)c1 2314448069 DUBVVGFSDJERKW-HXUWFJFHSA-N 484.590 7.305 50 10 JKGE CC1(C)CCCC[C@@H]1[C@H](Br)c1cc(Br)ccc1OCc1ccccc1 2314448568 IZDLOFOSQYKRDU-TZIWHRDSSA-N 466.257 7.681 50 10 JKGE C[C@H]1OC2(C)CC1([C@@H](Br)c1ccc(OCc3ccccc3)cc1Br)C2 2314463551 ZLBJZTXWVSNGRA-NMDQSBKUSA-N 466.213 6.422 50 10 JKGE N#CC(=Cc1ccc(-c2cccc(Cl)c2Cl)o1)C(=O)Nc1ccc(C(F)(F)F)c(Cl)c1 2314571922 OSCNUTFGKBSWJX-UHFFFAOYSA-N 485.676 7.471 50 10 JKGE COc1ccc(-c2nn(-c3ccccc3)cc2C=C2C(=O)N(C3CCCCC3)C(=O)C(C#N)=C2C)cc1 2314616724 IGJSFOPMDVPSRR-UHFFFAOYSA-N 492.579 5.473 50 10 JKGE CCCCCOc1ccc(C=C2C(=O)N(Cc3ccccc3Cl)C(=O)C(C#N)=C2C)cc1OCC 2314621133 ZGYYPBTWMFRSKB-UHFFFAOYSA-N 493.003 6.100 50 10 JKGE CCCOc1ccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)C=Cc4ccc(C)cc4)ccc32)cc1 2314634143 RADLIJKDAQEWDX-MUUNZHRXSA-N 466.537 5.621 50 10 JKGE COc1cc(C=C(C#N)c2ccc(Cl)cc2)ccc1OC(=O)CCc1ccc(C(C)C)cc1 2314790179 DZXOFKTTXUYZTK-UHFFFAOYSA-N 459.973 7.074 50 10 JKGE Clc1cc(I)c([C@H](Cl)Cc2c(Cl)cccc2Cl)s1 2316598037 ZBXYCYAIQILAJH-SECBINFHSA-N 451.971 6.836 50 10 JKGE Clc1cc(I)c([C@H](Br)c2ccc3c(c2)COC3)s1 2316771564 SPSZIHWHHJMWPG-GFCCVEGCSA-N 455.542 5.521 50 10 JKGE COC(C)(C)C1([C@H](Cl)c2c(Br)sc(Br)c2Br)CC1 2320585329 BPUSBDNKPCYGAL-MRVPVSSYSA-N 481.475 6.521 50 10 JKGE CC[C@@H](NC=C(C#N)C(=O)N[C@H](CC)c1ccc2c(c1)CCCC2)c1ccc2c(c1)CCCC2 2325079367 HDNBQYVFMLDCJF-FQLXRVMXSA-N 455.646 6.160 50 10 JKGE CCCOc1ccc(-c2csc(C(C#N)=C(O)c3cc(C(F)(F)F)cc(C(F)(F)F)c3)n2)cc1 2331318276 RSXLVOCDZMNYHU-UHFFFAOYSA-N 498.448 7.586 50 10 JKGE COc1ccc(C)cc1-c1csc(C(C#N)=C(O)c2cc([N+](=O)[O-])cc([N+](=O)[O-])c2C)n1 2331324428 ZBUWFDZYZBKGCT-UHFFFAOYSA-N 452.448 5.202 50 10 JKGE Cc1ccc(-c2csc(C(C#N)=C(O)[C@@H](CC(C)C)N3C(=O)c4ccccc4C3=O)n2)cc1C 2331382565 GXCGRXLAQHIYMT-HSZRJFAPSA-N 471.582 5.931 50 10 JKGE COc1c(C)cc(Cl)cc1-c1csc(C(C#N)=C(O)CCCOc2ccc(C(C)(C)C)cc2)n1 2331392275 LUUBRORMOBCOQE-UHFFFAOYSA-N 497.060 7.730 50 10 JKGE CCCCCOc1ccc(C=C(C#N)c2nc(-c3ccc(-c4ccccc4)cc3)cs2)cc1OCC 2331414044 AXBMTYHOXCLBFS-UHFFFAOYSA-N 494.660 8.509 50 10 JKGE CCc1ccc(-c2csc(C(C#N)=Cc3ccc(OCCN4CCOCC4)c(OC)c3)n2)cc1 2331417820 SFXUSYFWTIDJHM-UHFFFAOYSA-N 475.614 5.156 50 10 JKGE COc1ccccc1-c1csc(C(C#N)=Cc2ccccc2OCc2ccc(Cl)cc2)n1 2331436116 JLGLBKGWARMOKW-UHFFFAOYSA-N 458.970 7.115 50 10 JKGE CCOc1ccc(C=C(C#N)c2nc(-c3cc(Cl)cc(Cl)c3OC)cs2)cc1OCC 2331467544 BYDRMLYXVUHJNL-UHFFFAOYSA-N 475.397 6.987 50 10 JKGE CCC1(CC)[C@H](Br)C[C@H]1OCc1cc(Br)cc(Br)c1 2337109269 NZYWNUSVZWRIIZ-ZIAGYGMSSA-N 455.028 6.070 50 10 JKGE Cc1cc(Br)c(F)c(Br)c1[C@H](Br)[C@@H]1COCC1(C)C 2339657889 CKZHKMHXWLFLSU-GZMMTYOYSA-N 458.991 5.768 50 10 JKGE Brc1cc(CN2C[C@@H](Br)CCC23CCC3)ccc1I 2349831578 SSQFXUNUROETPG-LBPRGKRZSA-N 499.028 5.336 50 10 JKGE Clc1ccc(I)cc1CN1CC2(CCC(Br)CC2)C1 2352413675 KOYAVRUXKUTGAP-UHFFFAOYSA-N 454.577 5.084 50 10 JKGE Cc1ccc(Oc2cc(Cl)c(Br)cc2Cl)c(CBr)c1Cl 2360729124 TWFJTUJRWOTYJG-UHFFFAOYSA-N 459.392 7.405 50 10 JKGE Brc1ccc(OCc2ccccc2)c([C@H](Br)c2cccc3c2CCCC3)c1 2361194913 LGNFCOGOHHIGKO-XMMPIXPASA-N 486.247 7.391 50 10 JKGE Fc1c(Br)cc(Cl)c([C@@H](Cl)[C@@H]2C(F)(F)C23CCC3)c1Br 2362238278 VGZCCZBPBKYYHB-KOLCDFICSA-N 452.923 6.719 50 10 JKGE Fc1cc(CBr)c(N2CC[C@@H]3CCN(Cc4ccccc4)C[C@H]3C2)cc1Cl 2362393704 FQOLBCZCQXTFDC-HKUYNNGSSA-N 451.811 5.722 50 10 JKGE Cc1cc(Br)c(F)c(Br)c1[C@H](Br)[C@@H]1C[C@]12CCCOC2 2365192965 FMTHCQXKLSTSEY-UAKXVISKSA-N 471.002 5.912 50 10 JKGE Clc1ccc(CO[C@H]2C[C@H](Br)C23CCCCC3)c(I)c1 2365648776 YCIRKAJBUMYXBG-GJZGRUSLSA-N 469.588 5.948 50 10 JKGE Cc1cc(Br)c(C)c([C@H](Br)[C@H]2CC[C@H]2C(C)(C)C)c1Br 2369230248 OEAIXXLIQQKVPG-HWWQOWPSSA-N 467.083 7.337 50 10 JKGE Clc1ccc(I)cc1CN1CC2(CCCC2)C[C@@H]1CBr 2380510502 DWGCKVQFNXFFFY-CQSZACIVSA-N 468.604 5.474 50 10 JKGE COc1cc(Cl)c(C)cc1NC(=O)/C(C#N)=C/c1ccc(N(c2ccccc2)c2ccccc2)cc1 3224353 BIRRZFCJDCASJP-PTGBLXJZSA-N 493.994 7.673 50 10 JKGE CCC(CC)c1ccc(OCC(=O)N/N=C/c2cc([N+](=O)[O-])ccc2N(CC(C)C)CC(C)C)cc1 20075517 VLYOWPQGBPKJIA-MUFRIFMGSA-N 496.652 6.146 50 10 JKGE O=C(CSc1nc2ccccc2n1Cc1ccc(Cl)cc1)N/N=C\c1ccc(Cl)cc1 33096975 AOJLOYHYXRERBV-ZMFRSBBQSA-N 469.397 5.634 50 10 JKGE CCCCOc1ccc(/C=C(/C#N)C(=O)Nc2ncc(Cc3ccc(F)cc3)s2)cc1OC 33653630 WNJBWJFTLUIKSV-UNOMPAQXSA-N 465.550 5.606 50 10 JKGE COC(=O)c1c(NC(=O)/C(C#N)=C\c2ccc(-c3ccc(Cl)c([N+](=O)[O-])c3)o2)sc(C)c1C 34687768 AVGFNKISCUMWBF-ZSOIEALJSA-N 485.905 5.519 50 10 JKGE Cc1c(NC(=O)/C(C#N)=C\C2=Cc3ccccc3O[C@@H]2c2ccccc2)c(=O)n(-c2ccccc2)n1C 34981681 XRQMBCQVPQFWEB-GLRDDDLDSA-N 488.547 5.090 50 10 JKGE CCn1c(-c2ccc(C(=O)NNC(=O)C(c3ccccc3)c3ccccc3)s2)nc2ccccc21 35554062 VRQHZECQTDFKMG-UHFFFAOYSA-N 480.593 5.378 50 10 JKGE CCCOc1ccc(C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@H]3c2cccc(Cl)c2)cc1 38651196 MXOOWEADWRLTJG-DEOSSOPVSA-N 460.917 5.566 50 10 JKGE CCCOc1ccccc1[C@H]1C(C#N)=C(N)Oc2cc(OC(=O)COc3cc(C)cc(C)c3)ccc21 38681695 RILHSTXIBAKFDY-MUUNZHRXSA-N 484.552 5.295 50 10 JKGE CSc1ccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4oc5c(C)c(C)ccc5c4C)ccc32)cc1 38700738 OBRUUFHSAPEXDB-RUZDIDTESA-N 496.588 6.517 50 10 JKGE Cc1cccn2c(=O)c(/C=C(/C#N)C(=O)Nc3ccc(Cl)cc3)c(Oc3ccc(Cl)cc3)nc12 39858599 PSRLBKAFLRQQIA-SSZFMOIBSA-N 491.334 5.648 50 10 JKGE N#C/C(=C/c1ccccc1OCc1cccc(F)c1)C(=O)Nc1sc2c(c1C#N)CCCC2 59116610 VQDRJZLJGKWPOD-UYRXBGFRSA-N 457.530 5.762 50 10 JKGE C=CCc1cc(/C=N/NC(=O)c2cc3ccccc3o2)ccc1OCc1cccc([N+](=O)[O-])c1 59304872 AZMRPBRAQBWAPW-JVWAILMASA-N 455.470 5.412 50 10 JKGE O=C(CSc1ccc(/C=N/NC(=O)c2cc3ccccc3cc2O)o1)Nc1ccc2ccccc2c1 59382223 CWTYXIHFCADVCT-MUFRIFMGSA-N 495.560 5.786 50 10 JKGE CCC[C@@H](CBr)COc1c(Br)cc([N+](=O)[O-])cc1Br 96871052 UOFVNISPQILBBA-QMMMGPOBSA-N 459.960 5.310 50 10 JKGE CCCCCCCOc1ccc(C(=O)NNC(=O)COc2ccc(Cl)cc2Br)cc1 100153796 SOJYDWHLGLNHFP-UHFFFAOYSA-N 497.817 5.292 50 10 JKGE CCc1ccc(N2C(=O)[C@H](Cc3ccccc3C)S/C2=C(/C#N)C(=O)Nc2ccccc2C)cc1 101244896 QZXRRBPZQDFUEU-IYQUHZLLSA-N 481.621 5.931 50 10 JKGE COc1ccc([N+](=O)[O-])cc1NC(=O)/C(C#N)=C\c1ccc(-c2ccc(Cl)c(Cl)c2)o1 103485609 LMFMNELXDRTGJV-JYRVWZFOSA-N 458.257 5.716 50 10 JKGE COc1ccc(COc2c(Cl)cc(Cl)cc2CBr)cc1Br 110377698 IMZQDQZNENZSKM-UHFFFAOYSA-N 454.973 6.238 50 10 JKGE Fc1ccc(C[C@@H](CBr)c2ccccc2Br)cc1Br 118664967 VWWYVYLJLLWTAZ-NSHDSACASA-N 450.971 6.072 50 10 JKGE CCOc1ccc([C@@H](Br)c2ccc(Br)cc2C)c(Br)c1 123749398 HUMGBWRPAYSHJZ-INIZCTEOSA-N 463.007 6.403 50 10 JKGE COc1ccccc1C[C@H](Br)c1cc(Br)c(Br)s1 128254543 XBQRYAOQKJJFBZ-VIFPVBQESA-N 455.009 5.960 50 10 JKGE Cc1cc(Br)c([C@H](Br)Cc2ccc(F)cc2)cc1Br 128774114 ALGPCGAQVRSEKF-OAHLLOKOSA-N 450.971 6.338 50 10 JKGE COc1cc([C@@H](Cl)c2ccc(Br)c(Cl)c2)c(OC)cc1Br 134286981 YMBFAYIREUNIEY-HNNXBMFYSA-N 454.973 6.210 50 10 JKGE O=S(=O)(Nc1ccccc1CBr)c1c(Cl)cc(Br)cc1Cl 136818180 PWXBSYNOTVTAGD-UHFFFAOYSA-N 474.001 5.452 50 10 JKGE O=[N+]([O-])c1ccccc1C[C@@H](Br)c1cc(Br)ccc1Br 161183226 JVSHXINGSSJSPC-CYBMUJFWSA-N 463.951 5.799 50 10 JKGE Clc1cccc([C@@H](CI)OCc2ccc(Br)cc2)c1 162527034 FIQDMUCTOWZGOQ-OAHLLOKOSA-N 451.529 5.795 50 10 JKGE CCCCCCOc1ccc(/C=C(/C#N)C(=O)Nc2cccc(C(=O)OCC)c2)cc1OC 206234251 BJPBYLCQDREBKB-QNGOZBTKSA-N 450.535 5.377 50 10 JKGE C=CCOc1ccc(-c2nn(-c3ccccc3)cc2/C=C2\C(=O)N(C(C)C)C(=O)C(C#N)=C2C)cc1C 214247948 XNUFICANHKESDK-XYGWBWBKSA-N 492.579 5.413 50 10 JKGE COc1ccc([C@H](Br)Cc2cccc(Br)c2)c(OC)c1Br 224854443 PYVCULWUEVHIKZ-CYBMUJFWSA-N 479.006 5.908 50 10 JKGE CCOc1ccc(Br)cc1[C@@H](Cl)c1ccc(I)c(Cl)c1 232342200 UXPFNGQIMHSSRE-HNNXBMFYSA-N 485.974 6.434 50 10 JKGE CCOc1cc(C=NNC(=O)c2ccncc2)ccc1OCCSc1cccc2ccccc12 252588385 ABRBJTPUIYPDQQ-UHFFFAOYSA-N 471.582 5.569 50 10 JKGE CCCCOc1ccc(C(=O)Oc2ccc(C=NNC(=O)c3cc4ccccc4cc3O)cc2)cc1 254481447 SNRNUONYDWTTRP-UHFFFAOYSA-N 482.536 5.707 50 10 JKGE COC(=O)C(=NN=C(C)C[P+](c1ccccc1)(c1ccccc1)c1ccccc1)c1ccccc1 254547973 NDUNYKFAGCRZPU-UHFFFAOYSA-N 479.540 5.019 50 10 JKGE Cc1ccc(C23C[C@H]4C[C@@H](CC(NC(=O)NN=Cc5cc(Br)ccc5O)(C4)C2)C3)cc1 254740821 HIOPAIHROSQMQS-LYBIEXDWSA-N 482.422 5.387 50 10 JKGE CC(C)(C)CC(C)(C)c1ccc(OCC(=O)NN=Cc2ccc(C(C)(C)C)cc2)c([N+](=O)[O-])c1 254873406 LMOMHYRGEBOZBK-UHFFFAOYSA-N 467.610 6.135 50 10 JKGE Cc1cc(Br)c([C@@H](Cl)c2ccccc2OCc2ccccc2)cc1Br 381414279 ZHSAHAJTOIATLG-NRFANRHFSA-N 480.627 7.427 50 10 JKGE Fc1cc(Br)c([C@@H](Cl)c2ccccc2I)c(F)c1F 398537864 VGGSJKUANBQQNP-NSHDSACASA-N 461.446 5.799 50 10 JKGE CC(C)(C)OC(=O)N1C[C@H](c2ccccc2CCO[Si](C)(C)C(C)(C)C)Cc2ccccc21 616669539 IOCKDCOLCLGHRC-HSZRJFAPSA-N 467.726 7.332 50 10 JKGE CN(C(=O)OC(C)(C)C)c1ccc([C@@H]2Cc3ccccc3N(CCO[Si](C)(C)C(C)(C)C)C2)cc1 616672931 QOMSMRGGQQGRKC-XMMPIXPASA-N 496.768 7.226 50 10 JKGE Cc1cc(Cl)c([C@@H](Cl)c2ccc(I)c(Br)c2)cc1C 721604454 PSIQQGSIPVQPRV-HNNXBMFYSA-N 469.975 6.652 50 10 JKGE CC(C)(C)c1ccc([C@@H](Cl)c2ccc(I)c(Br)c2)s1 721607609 ZUYFCWPHVGKQLL-AWEZNQCLSA-N 469.613 6.741 50 10 JKGE CCc1ccc(NC(=O)/C(C#N)=C\c2cc(Br)ccc2OCc2ccccc2Cl)cc1 1084241829 BLLBMRPIFRZDTB-MOSHPQCFSA-N 495.804 6.790 50 10 JKGE CCc1ccccc1NC(=O)/C(C#N)=C\c1cc(Br)ccc1OCc1ccccc1 1084392736 HRZDPEJQQQEJKY-STZFKDTASA-N 461.359 6.136 50 10 JKGE COc1c(Cl)cc(Cl)cc1C=NNC(=O)COc1ccc(C(C)(C)c2ccccc2)cc1 1084432030 RMRVTCCKUVDVKH-UHFFFAOYSA-N 471.384 5.857 50 10 JKGE COc1ccc(/C=C(/C#N)C(=O)Nc2ccc(Cl)cc2)cc1OCc1ccc(Cl)cc1 1084533148 OLSGMEDHHFWSSY-PDGQHHTCSA-N 453.325 6.127 50 10 JKGE CCCCOc1ccc(NC(=O)c2oc3c(c2C)C(=NNC(=O)c2ccc(Cl)cc2)CCC3)cc1 1772744364 WGSAJEMHYWCWRE-UHFFFAOYSA-N 493.991 6.143 50 10 JKGE COc1ccccc1C(=O)NN=C1CCCc2oc(C(=O)N3c4ccc(F)cc4CC[C@@H]3C)c(C)c21 1772745561 BHAUXTNXAQEICH-INIZCTEOSA-N 489.547 5.188 50 10 JKGE COc1ccc2ccccc2c1C=NNC(=O)COc1ccc(Br)cc1C(C)(C)C 1772754483 WOEGHQVAYJYLDM-UHFFFAOYSA-N 469.379 5.438 50 10 JKGE N#CC1=C(N)Oc2c(c(-c3ccccc3)nn2Cc2cccc(F)c2)[C@H]1c1cccc2ccccc12 1865682561 RMSYCECEJVGYSN-SANMLTNESA-N 472.523 6.109 50 10 JKGE COc1ccc(-c2nn(-c3ccc(Cl)cc3)c3c2[C@@H](c2ccc(N(C)C)cc2)C(C#N)=C(N)O3)cc1 1865683762 OWWYCLXIWDAKOY-DEOSSOPVSA-N 497.986 5.485 50 10 JKGE CCCCCCOc1c(Br)cc([C@H]2C(C#N)=C(N)Oc3c2c(C)nn3CC)cc1OC 1865691602 WCIKHULEIVVWCP-FQEVSTJZSA-N 489.414 5.160 50 10 JKGE CCCc1nn(Cc2c(F)cccc2Cl)c2c1[C@H](c1ccc(OCC)cc1)C(C#N)=C(N)O2 1865694577 XKBPXLVDZRAFRM-JOCHJYFZSA-N 466.944 5.293 50 10 JKGE CCCCOc1ccc([C@@H]2C(C#N)=C(N)Oc3c2c(C)nn3Cc2cccc(Cl)c2)cc1OC 1865697375 QUINAOWPXHIHPE-XMMPIXPASA-N 478.980 5.299 50 10 JKGE COc1ccc(-c2nn(Cc3cc(C)ccc3C)c3c2[C@H](c2cccs2)C(C#N)=C(N)O3)cc1 1865697811 CGUOZGFOTUJKSH-QHCPKHFHSA-N 468.582 5.504 50 10 JKGE COc1ccc(-c2nn(-c3ccc(Cl)cc3)c3c2[C@@H](c2cccc([N+](=O)[O-])c2)C(C#N)=C(N)O3)cc1 1865706563 ZJZHMYKIWGOKBU-QFIPXVFZSA-N 499.914 5.328 50 10 JKGE CCCc1nn(-c2ccc(Br)cc2)c2c1[C@H](c1ccc(CC)cc1)C(C#N)=C(N)O2 1865709141 OYPAVYNNOBQRMO-OAQYLSRUSA-N 463.379 5.368 50 10 JKGE COc1cccc([C@@H]2C(C#N)=C(N)Oc3c2c(C(F)(F)F)nn3-c2cccc3ccccc23)c1 1865711991 MYXZUJKBDZEDMW-HXUWFJFHSA-N 462.431 5.271 50 10 JKGE O=C(Oc1ccc([N+](=O)[O-])cc1F)c1ccc(-c2ccc(Cl)c(Cl)c2)nc1C(F)(F)F 1865787619 IPZXHRAPAQENHG-UHFFFAOYSA-N 475.181 6.341 50 10 JKGE COCCc1nc(Nc2ccc(SC#N)cc2)cc(N2CCc3cc(C)ccc3[C@@H]2CC(C)C)n1 1868253570 LZDLIJVBIJFJHV-VWLOTQADSA-N 487.673 6.441 50 10 JKGE COc1cccc(-c2nc(Nc3ccc(SC#N)cc3)cc(N3CCO[C@@H](c4cccnc4)C3)n2)c1 1868505546 HWUCJVLNCBWRIH-XMMPIXPASA-N 496.596 5.442 50 10 JKGE COc1ccc(/C=C(\C#N)c2ncccc2[N+](=O)[O-])cc1OCc1ccc(Cl)c(Cl)c1 1872728909 AJFZIERDRWGJFP-CXUHLZMHSA-N 456.285 5.948 50 10 JKGE CCCCc1ccc(-c2csc(/C(C#N)=C(\O)[C@@H](C)N3C(=O)c4ccccc4C3=O)n2)cc1 1872744758 GYIKHNNUWNFSBP-DLTPIXJPSA-N 457.555 5.630 50 10 JKGE COc1cc(/C(O)=C(\C#N)c2nc(-c3cccc(Br)c3)cs2)cc(OC)c1OC 1872745751 BEGOKXCLEXCMMR-CYVLTUHYSA-N 473.348 5.548 50 10 JKGE COc1cc(C)c(-c2csc(/C(C#N)=C(\O)c3ccc(Cl)cc3[N+](=O)[O-])n2)cc1C(C)C 1872753648 HRBJTDUPCCZUDC-PYCFMQQDSA-N 469.950 6.762 50 10 JKGE COc1cc(Cl)c(C)cc1-c1csc(/C(C#N)=C(\O)[C@@H]2CC(=O)N(Cc3ccccc3)C2)n1 1872757000 LTIPILZYUSHWIV-WHTJBBQOSA-N 479.989 5.622 50 10 JKGE COc1cc(/C=C(\C#N)c2nc(-c3ccc4c(c3)CCCC4)cs2)ccc1OC(=O)c1ccccc1 1872782535 LKEVDHPSOXLKAF-MFKUBSTISA-N 492.600 6.981 50 10 JKGE CCCCCOc1ccc(/C=C(\C#N)c2nc(-c3cc(OCC)ccc3OCC)cs2)cc1OC 1872792516 DALDRUBJHUTOID-RCCKNPSSSA-N 492.641 7.249 50 10 JKGE CCC[C@H]1CC[C@H]([C@H](Br)c2sc(Br)c(C)c2Br)CC1 1878020074 KFHTYRBPGHKRAA-GVXVVHGQSA-N 473.112 7.624 50 10 JKGE Brc1cc(CCC[C@@H](Br)C2CC2)ccc1I 1904322240 OUZJMCCGMCHZHY-LLVKDONJSA-N 457.975 5.550 50 10 JKGE Fc1ccc(C[C@H](Br)c2sc(Br)cc2Br)c(F)c1 1922945067 CEIHQSJNJCPUNF-QMMMGPOBSA-N 460.963 6.230 50 10 JKGE Clc1c(Br)sc(Br)c1[C@H](Cl)c1sccc1Br 1923050069 PSBSJXNMWPLMRX-YFKPBYRVSA-N 485.875 7.079 50 10 JKGE Clc1c(Br)sc(Br)c1[C@@H](Br)CC[C@H]1CCCO1 1923070921 FLFCJKGHZOFPJK-RQJHMYQMSA-N 467.448 6.322 50 10 JKGE Fc1ccsc1[C@H](Cl)c1c(Br)sc(Br)c1Br 1924579377 DQDCLVRQVIDFEF-ZCFIWIBFSA-N 469.420 6.564 50 10 JKGE Cc1ccc([C@H](Cl)c2c(Br)sc(Br)c2Br)s1 1924579718 JDCFGEVVIMNDJK-QMMMGPOBSA-N 465.457 6.734 50 10 JKGE C[C@@H]1CC[C@@H]([C@H](Cl)c2c(Br)sc(Br)c2Br)O1 1924580342 QQJHFPJJAYAEGF-FOHZUACHSA-N 453.421 5.883 50 10 JKGE Cc1cc(Br)sc1[C@H](Br)c1ccccc1OCc1ccccc1 1939452859 PIXXMQZTQOQQJR-GOSISDBHSA-N 452.211 6.882 50 10 JKGE Cc1csc([C@@H](Br)c2cc(Br)c(Cl)s2)c1Br 1939884389 ZPFSYQGRJDUOAR-QMMMGPOBSA-N 465.457 6.781 50 10 JKGE CC(C)(F)[C@@](C)(F)[C@@H](Cl)c1c(Br)sc(Br)c1Br 2003230352 GFPKDDHHTMQGTK-WKEGUHRASA-N 475.418 6.792 50 10 JKGE CN(Cc1ccccc1)[C@@H]1CCN(c2cc(Br)cc(F)c2CBr)C1 2004045998 RFXHDUKGBAULEN-MRXNPFEDSA-N 456.197 5.194 50 10 JKGE Brc1cc([C@H](Br)[C@]23CCCC[C@H]2CCC3)c(Br)s1 2031751532 FAJAGUMEMHJRJF-WFBYXXMGSA-N 457.069 7.070 50 10 JKGE CC1(C)CCC[C@@H]([C@@H](Br)c2cc(Br)c(Br)s2)CC1 2039363167 NQSKZKLYYJDORJ-BXKDBHETSA-N 459.085 7.316 50 10 JKGE FC(F)(F)c1sccc1[C@H](Br)c1cc(Br)c(Br)s1 2039895777 ZZYLGSXZMAPVKK-ZETCQYMHSA-N 484.982 6.838 50 10 JKGE BrCCN(Cc1ccsc1)c1ncc(Br)cc1Br 2051463131 IYLKXFPVCBULQE-UHFFFAOYSA-N 455.013 5.070 50 10 JKGE Cc1ccc(Cn2nc(CCl)c(I)c2C(F)(F)F)cc1C(F)(F)F 2079212512 VHRCMXQWSZBHCR-UHFFFAOYSA-N 482.593 5.621 50 10 JKGE COc1ccc(F)cc1[C@@H](Br)c1cccc(Br)c1Br 2092328845 PLLLAENLGVBHJE-ZDUSSCGKSA-N 452.943 5.844 50 10 JKGE ClCc1ccc(Br)c(Cl)c1N1C[C@H]2CCN(Cc3ccccc3)C[C@@H]2C1 2098116837 KQYWAEXOUMUSFG-QZTJIDSGSA-N 454.239 5.800 50 10 JKGE CC(C)(C)[C@@H](C[C@H](Br)c1c(Cl)sc(Br)c1Cl)C(F)F 2111374611 QYGIMGCGNMAFGO-WDSKDSINSA-N 459.021 7.571 50 10 JKGE CC(C)(C)[C@H]1[C@H](Br)CCN1Cc1cc(Br)ccc1Br 2128686534 JFXMKULAGFQRNX-ZIAGYGMSSA-N 454.044 5.596 50 10 JKGE CC(C)(C)[C@@H]1C[C@H]1COc1c(Br)cc(CBr)cc1Br 2135642810 ZVWWZBRMEJKJLI-WDEREUQCSA-N 455.028 6.168 50 10 JKGE Cc1c(Br)ccc([C@@H](Br)C2CCC(F)(F)CC2)c1Br 2138853972 RMSCYLRXJGODPC-ZDUSSCGKSA-N 460.982 6.782 50 10 JKGE BrCc1cc(Br)cc(Br)c1OC[C@@H]1CCCOCC1 2141843379 PPAAYNHPSGWBBI-SNVBAGLBSA-N 457.000 5.302 50 10 JKGE Fc1cc(F)c(OCc2ccc(Br)cc2Br)c(CBr)c1 2148684951 JIYUZRWCMOYGSK-UHFFFAOYSA-N 470.933 5.964 50 10 JKGE CC1(C)[C@@H](n2c(CCl)nc3cc(Cl)c(Br)cc32)C[C@H]1OCc1ccccc1 2169014730 BPAWDQMJGHTRPZ-RBUKOAKNSA-N 468.222 6.747 50 10 JKGE ClCc1nc2cc(Cl)c(Br)cc2n1CC[C@H]1CCN(Cc2ccccc2)C1 2169017122 IZSOVMCKAONEIB-MRXNPFEDSA-N 467.238 6.103 50 10 JKGE CC1(C)CC[C@H](CO[C@H](CI)c2ccc(Br)cc2)OC1 2197342894 TUPPCLXJMQSADH-HUUCEWRRSA-N 453.158 5.147 50 10 JKGE COc1cc(F)c([C@H](Br)c2cc(Cl)ccc2Br)cc1Br 2202904248 OVEHXFOFGXAUBZ-CQSZACIVSA-N 487.388 6.497 50 10 JKGE COc1c(Cl)cc(Br)cc1[C@@H](Br)c1c(C)cccc1Br 2203003267 LWXWNMBWOFMWNL-CQSZACIVSA-N 483.425 6.666 50 10 JKGE Cc1c(Br)ccc([C@H](Br)[C@@]23CCCC[C@H]2OCC3)c1Br 2203691975 LEFJDFGTAROKJN-VNQPRFMTSA-N 467.039 6.305 50 10 JKGE CC[C@@H](Cl)[C@H]1CCCCN1C(=O)c1ccc(Br)cc1I 2207270807 DFBNILMXPDHLHU-TZMCWYRMSA-N 470.576 5.066 50 10 JKGE CC[C@@H](Br)Cc1sc(Br)c(Br)c1Br 2209348473 BJOMOVGFVZFLQM-SCSAIBSYSA-N 455.835 5.752 50 10 JKGE Fc1cc(Br)c(Br)cc1[C@H](Cl)c1cc(Cl)sc1Cl 2218598749 WGUIEXLZGRKCFO-JTQLQIEISA-N 453.385 7.047 50 10 JKGE COc1ccc([C@H](Br)c2scc(Br)c2C)cc1Br 2219005552 FCCXDOOZBSNAGE-LBPRGKRZSA-N 455.009 6.074 50 10 JKGE Fc1cc(Br)c(Br)cc1[C@H](Br)[C@H]1C[C@]12CCCOC2 2225620332 UBKHEXCMCZDOHL-IIMNLJJBSA-N 456.975 5.603 50 10 JKGE COc1ncc(COc2c(Br)cc(Br)cc2CBr)s1 2231431088 OXAKGRVOHZDZID-UHFFFAOYSA-N 471.996 5.151 50 10 JKGE Clc1cc(Br)c([C@@H](Br)[C@H]2CC23CCOCC3)c(Cl)c1Cl 2232518110 ZQTMKBCLXDFYJE-HQJQHLMTSA-N 463.424 6.662 50 10 JKGE Fc1cc(Br)cc2c1nc(CCl)n2[C@@H]1CCOC[C@H]1OCc1ccccc1 2232918155 HMXPRODLLYAYCX-SJLPKXTDSA-N 453.739 5.224 50 10 JKGE CCCCCCc1ccc([C@@H](Br)c2ccc(I)cc2)s1 2234126458 LXRHSUBXUOYWJR-KRWDZBQOSA-N 463.222 6.960 50 10 JKGE Cc1sc([C@@H](Br)c2c(Br)cc(F)c(F)c2F)c(C)c1Br 2234465052 SWXLVTLLUOFYAB-JTQLQIEISA-N 492.980 6.792 50 10 JKGE Cc1cc(Br)c([C@@H](Cl)c2c(Cl)cccc2Cl)c(C)c1Br 2235604486 NXGVHFKXVLROOM-OAHLLOKOSA-N 457.420 7.463 50 10 JKGE COc1cc(Br)c([C@@H](Br)c2ccc(C)cc2Br)cc1C 2236008420 MHZKAMONOXIXFL-INIZCTEOSA-N 463.007 6.321 50 10 JKGE FC(F)(F)Oc1ccc(Cl)cc1[C@@H](Br)c1ccc(Br)s1 2239617318 DMTSWNZWTJTZBC-LLVKDONJSA-N 450.501 6.547 50 10 JKGE Cc1cc(Br)c([C@@H](Cl)c2ccccc2I)c(C)c1F 2264469369 SWVKYMZNCSSTGZ-AWEZNQCLSA-N 453.520 6.138 50 10 JKGE Cc1cc(Br)c(C)c([C@H](Br)[C@]23CCCC[C@@H]2CC3)c1Br 2288994694 CFKVRUWCMMDODC-DQYPLSBCSA-N 465.067 7.235 50 10 JKGE CCOc1ccccc1OCC(=O)Oc1ccc(C=C(C#N)c2ccc(Cl)cc2)cc1OC 2293119064 VOBUUJUFUWASMW-UHFFFAOYSA-N 463.917 5.796 50 10 JKGE N#CC(=Cc1ccc(OCc2ccccc2C#N)c(Br)c1)C(=O)Nc1ccccc1 2294193378 JYJYTGOBRPZSOE-UHFFFAOYSA-N 458.315 5.445 50 10 JKGE CCCCCOc1ccc(C=C(C#N)C(=O)Nc2ccc(C(=O)OCCCC)cc2)cc1OC 2296818918 AIWOIKVWLPAPAY-UHFFFAOYSA-N 464.562 5.767 50 10 JKGE Cc1ccccc1C[C@H]1SC(=C(C#N)C(=O)c2c[nH]c3ccccc23)N(c2ccccc2)C1=O 2296837808 UTYXTEIWCRQRMZ-RUZDIDTESA-N 463.562 5.786 50 10 JKGE COc1ccc([N+](=O)[O-])cc1NC(=O)C(C#N)=Cc1ccc(-c2ccc(Cl)c(Cl)c2)o1 2297306959 LMFMNELXDRTGJV-UHFFFAOYSA-N 458.257 5.716 50 10 JKGE C[C@@]1([C@H](Br)c2cc(Br)ccc2OCc2ccccc2)CCCOC1 2299491799 ASGBLHNTLUPIOU-WOJBJXKFSA-N 454.202 6.281 50 10 JKGE Brc1ccc(OCc2ccccc2)c([C@H](Br)[C@@H]2C[C@@H]3CCC[C@@H]32)c1 2299503948 JSNHBQNGIHLYBP-DZKDUJFISA-N 450.214 6.900 50 10 JKGE COc1cc(C=C(C#N)c2ccc(Cl)cc2)cc(Br)c1OCc1ccc([N+](=O)[O-])cc1 2313521292 DNENKVAZWFCIBA-UHFFFAOYSA-N 499.748 6.662 50 10 JKGE CCOC(=O)c1c(NC(=O)C(C#N)=Cc2ccc(-c3cccc(Cl)c3)o2)sc2c1CC[C@H](C)C2 2314572065 RULFWIPRIWFUJL-HNNXBMFYSA-N 495.000 6.509 50 10 JKGE Cc1ccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)C=Cc4ccc(Cl)cc4Cl)ccc32)cc1 2314634253 NNOQWDFMOXLUAM-VWLOTQADSA-N 477.347 6.139 50 10 JKGE CC(C)C[C@H](C)[C@@H](Br)c1c(Cl)cc(Br)c(F)c1Br 2315444121 RWMGGSKTDTVABH-WRWORJQWSA-N 465.426 7.122 50 10 JKGE CC(C)[C@@H]1C[C@H]1[C@@H](Br)c1c(Cl)cc(Br)c(F)c1Br 2315447729 RJSYKUMDBWYQDI-MVKOHCKWSA-N 463.410 6.732 50 10 JKGE COc1cc(C=C(C#N)c2ccccc2F)ccc1OC(=O)c1cc(OC)c(OC)c(OC)c1 2320506149 COFPRMRAWPHHGM-UHFFFAOYSA-N 463.461 5.143 50 10 JKGE C[C@H](NC(=O)C(C#N)=CNc1ccc(Cl)c(C(F)(F)F)c1)C12CC3CC(CC(C3)C1)C2 2324900461 TUSPFBOIEUALTO-QRYOHXEKSA-N 451.920 5.899 50 10 JKGE COC(=O)c1ccccc1NC(=O)C(C#N)=CNc1ccc(-c2nc3ccc(C)cc3s2)cc1 2325196472 FZHPVVDQYQKANP-UHFFFAOYSA-N 468.538 5.516 50 10 JKGE Brc1cc(CO[C@@H]2CCCCC[C@H]2Br)ccc1I 2325366840 YABVPIRZDAMHMG-BXUZGUMPSA-N 488.001 5.667 50 10 JKGE COc1ccc(CC(O)=C(C#N)c2nc(-c3cc(OC)c(Cl)cc3OC)cs2)c(OC)c1 2331377223 ZDZDNEDXOVLROM-UHFFFAOYSA-N 472.950 5.533 50 10 JKGE COc1c(C)cc(Cl)cc1-c1csc(C(C#N)=C(O)[C@H](C)Oc2ccc(C(C)C)cc2)n1 2331392326 RMMXVCBVEFNKPG-INIZCTEOSA-N 469.006 7.164 50 10 JKGE COc1cc(C=C(C#N)c2nc(-c3ccccc3)cs2)ccc1OCCCc1ccccc1 2331439920 DYDMHNJEAHQKIV-UHFFFAOYSA-N 452.579 6.894 50 10 JKGE COc1cccc(C=C(C#N)c2nc(-c3ccc(F)c(F)c3)cs2)c1OCc1cccc(C)c1 2331463942 GYJNXOBVWHCMFG-UHFFFAOYSA-N 474.532 7.049 50 10 JKGE Clc1cc(I)c([C@@H](Br)[C@H]2CCOc3ccccc32)s1 2338559021 RKKWOFMRBILKFK-ZANVPECISA-N 469.569 6.008 50 10 JKGE Cc1cc(Br)c(F)c(Br)c1[C@H](Br)[C@@H]1C[C@H]1C(C)(F)F 2339653645 LJTUCXXALAOWHO-BRDIYROLSA-N 464.945 6.386 50 10 JKGE CC(C)[C@@H](Br)C(C)(C)NC(=O)c1ccc(Br)cc1Br 2340518653 ANJSPBSRVRNNFY-GFCCVEGCSA-N 456.016 5.140 50 10 JKGE COC(C)(C)C1([C@H](Br)c2cc(Br)c(C)cc2Br)CC1 2343538536 NIWILSFAKDJOTI-CYBMUJFWSA-N 455.028 6.161 50 10 JKGE C=CC[C@@]1(CCl)CCCN1Cc1ccc(I)c(Br)c1 2349857620 OTUCSKYOIFETDJ-HNNXBMFYSA-N 454.577 5.203 50 10 JKGE FC(F)Oc1cccc([C@@H](Br)c2cc(Br)ccc2OCc2ccccc2)c1 2361178472 OGYWPLTVEBNFCO-HXUWFJFHSA-N 498.161 7.114 50 10 JKGE Brc1cc(OCc2ccccc2)ccc1[C@@H](Br)[C@H]1CCCc2ccccc21 2361195737 RIULRPQZVQMHON-URXFXBBRSA-N 486.247 7.584 50 10 JKGE Clc1ccc(CN2CC[C@@H]3CC[C@@H](Br)C[C@H]3C2)cc1I 2362369004 TYGDXQRIYUCVND-MELADBBJSA-N 468.604 5.330 50 10 JKGE CN(c1cc(Cl)c(F)cc1CBr)[C@H]1C[C@@H]2C[C@@H](OCc3ccccc3)C[C@H]12 2362388147 JEKFUXBHFTZOGX-PBWVOLNLSA-N 452.795 6.194 50 10 JKGE CC(C)[C@H](Br)C(C)(C)CNC(=O)c1ccc(Cl)c(I)c1 2365866169 FQUDJXDNNZMCQN-ZDUSSCGKSA-N 472.592 5.120 50 10 JKGE Fc1cccc([C@H](Br)CCc2cc(Cl)cc(Cl)c2)c1I 2366890279 NTPXEYNYGCPIKC-CYBMUJFWSA-N 487.965 6.806 50 10 JKGE Clc1cc(Br)c([C@H](Br)C[C@H]2CC[C@@H]2C2CC2)c(Cl)c1Cl 2367952245 ZMCAETQDLZPTIR-OPRDCNLKSA-N 461.452 7.672 50 10 JKGE CC(C)(C)OC(=O)N1CC[C@H](C(F)(F)F)N(C[C@@](C)(CBr)C(C)(C)C)CC1 2380192377 RYHSXAAGVFMBDZ-RDTXWAMCSA-N 459.391 5.307 50 10 JKGE CCOc1cc(C=NNC(=O)c2cc3c(ccc4ccccc43)o2)cc(Br)c1OCC 8437772 CAPJJFJPKVNCGF-UHFFFAOYSA-N 481.346 5.910 50 10 JKGE N#C/C(=C\c1ccc(-c2ccc(Cl)cc2[N+](=O)[O-])o1)C(=O)Nc1ccccc1C(F)(F)F 21191593 CKZZOFSXTVGLOX-FMIVXFBMSA-N 461.783 6.073 50 10 JKGE COc1cc(/C=C(/C#N)c2ccccc2)c(Br)cc1OCc1ccc(Cl)cc1Cl 34388967 QTOIEOXGGWLNCV-NVMNQCDNSA-N 489.196 7.408 50 10 JKGE N#CC1=C(N)Oc2cc(OC(=O)c3ccc(F)cc3)ccc2[C@H]1c1ccc(Cl)cc1Cl 38655175 TXGXYGRBEIUZSN-OAQYLSRUSA-N 455.272 5.570 50 10 JKGE Cc1cccc(C(=O)N/N=C2\CCCc3oc(C(=O)Oc4cc(C)ccc4C(C)C)c(C)c32)c1 40811406 HVALJIBXWIDOOI-QUPMIFSKSA-N 458.558 6.018 50 10 JKGE CCOC(=O)c1ccc(NC(=O)c2oc3c(c2C)/C(=N/NC(=O)c2ccc(Cl)cc2)CCC3)cc1 40811667 GGIVBZGLGBCLAQ-ZTKZIYFRSA-N 493.947 5.141 50 10 JKGE Cc1ccc(NC(=O)c2oc3c(c2C)/C(=N/NC(=O)C(c2ccccc2)c2ccccc2)CCC3)cc1 40815555 IOZWSAZYOXXFIL-INKHBPHZSA-N 491.591 6.137 50 10 JKGE Cc1ccc(C(C)C)c(OC(=O)c2oc3c(c2C)/C(=N/NC(=O)COc2ccccc2)CCC3)c1 40816189 LAMNPRORVUKSRX-QUPMIFSKSA-N 474.557 5.475 50 10 JKGE CCOC(=O)c1c(NC(=O)N/N=C\c2cccc(OCc3ccccc3)c2)sc2c1CC[C@H](C)C2 40851516 CWSYUZHQYKWPDB-TVEVAFHQSA-N 491.613 5.784 50 10 JKGE Cc1cc(OCC(=O)N/N=C/c2ccc(OCc3ccccc3)cc2)c(C(C)C)cc1Br 40910596 ZVKAZYJCCPCRQN-RWPZCVJISA-N 495.417 5.989 50 10 JKGE CCOc1cc(Cl)c(/C=N/NC(=O)c2ccc(-n3c(C)ccc3-c3ccccc3)cc2)cc1OC 59303846 XFXUCGZETKBTMG-UXHLAJHPSA-N 487.987 6.277 50 10 JKGE O=C(N/N=C/c1ccc(-c2cccc(C(F)(F)F)c2)o1)c1cc(Br)ccc1O 59433246 FYIZZXKTJODABA-YSURURNPSA-N 453.214 5.197 50 10 JKGE Fc1ccc(Br)cc1C[C@H](CBr)Cc1ccc(Br)cc1 97183178 BELAVNWUURHYSV-GFCCVEGCSA-N 464.998 6.147 50 10 JKGE CCOC(=O)c1c(N/C=C(/C#N)c2nc(-c3cccc4ccccc34)cs2)sc(C(C)=O)c1C 103612838 VGOIGWXKWCNEFF-AQTBWJFISA-N 487.606 6.689 50 10 JKGE CCCCCCCCCCCCCCCC(=O)N/N=C/c1cc(OC)ccc1Br 105071876 CPXIWBCHFUEIDT-LHLOQNFPSA-N 467.492 7.389 50 10 JKGE COc1cc(CCl)cc(Br)c1OCc1ccc(I)cc1 115901850 XVLTTWZLWHAIGZ-UHFFFAOYSA-N 467.528 5.380 50 10 JKGE COc1cc(Br)c(OC[C@H](CBr)C(C)(C)C)cc1Br 118642135 GNPHMDPOLRNOEE-VIFPVBQESA-N 459.016 5.656 50 10 JKGE Br[C@@H](c1ccc(C2CCCCC2)cc1)c1csc(I)c1 124416437 BRDCWMQYOKOTDH-KRWDZBQOSA-N 461.206 6.885 50 10 JKGE COc1c(C)cc(Br)c(C)c1[C@@H](Br)c1cccc(F)c1Br 125711009 RDZJKKVELWSGMI-HNNXBMFYSA-N 480.997 6.460 50 10 JKGE COc1cc(Br)ccc1[C@@H](Br)c1sc(C)cc1Br 135308881 VSUVVSTVYLSGEX-GFCCVEGCSA-N 455.009 6.074 50 10 JKGE O=C(N[C@H](CBr)c1ccccc1)c1cc(Br)ccc1Br 161219318 UFGQISJPVDMNQY-CQSZACIVSA-N 461.979 5.078 50 10 JKGE Brc1ccc([C@H](Br)c2csc3c(Br)cccc23)s1 163391745 AFFSJFSZXBJGAQ-GFCCVEGCSA-N 467.045 6.972 50 10 JKGE COc1ccc(-c2csc(-c3ccc(CNC(=O)/C(C#N)=C/c4ccccc4)cc3)n2)cc1OC 170511911 OIDOVHQLALYHOW-OEAKJJBVSA-N 481.577 5.718 50 10 JKGE COc1cccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)/C=C\c4ccc(C(C)(C)C)cc4)ccc32)c1 205641713 FMSDTKPXLCQSAO-XCSIDFAFSA-N 480.564 5.830 50 10 JKGE CCCCOC(=O)c1ccccc1NC(=O)/C(C#N)=C\N(c1ccccc1)c1ccc(N)cc1 217240721 KEMYFFPXIIDXAS-VXPUYCOJSA-N 454.530 5.410 50 10 JKGE Brc1ccc(Br)c([C@H](Br)[C@@H]2[C@@H]3CCc4ccccc4[C@H]32)c1 227467896 IJGWUIDSAHQXLJ-PILAGYSTSA-N 471.030 6.624 50 10 JKGE CCOc1cc(Cl)c([C@H](Cl)c2cc(Br)sc2Br)cc1Cl 233796737 DICXRULYKAXYJJ-LBPRGKRZSA-N 479.448 7.307 50 10 JKGE Fc1cccc(F)c1C[C@@H](Cl)c1cc(I)ccc1Br 236184001 NSROYWCAZBLBGY-GFCCVEGCSA-N 457.483 5.855 50 10 JKGE COc1cc(-c2cc(C(=O)NN=C/C=C\c3ccccc3)[nH]n2)ccc1OCc1ccccc1 254310516 CFCFRXDZSTUINP-NKNKYUCMSA-N 452.514 5.093 50 10 JKGE CC(=NNC(=O)CSc1nnc(-c2ccc(C)cc2)n1-c1ccc(C)cc1)c1ccccc1 254414991 KTIJKURYBUFFJF-UHFFFAOYSA-N 455.587 5.184 50 10 JKGE C[C@@H](CC(=O)OCC(=O)N(N=Cc1ccccc1)c1cccc(C(F)(F)F)c1)c1ccccc1 254792332 VPUOCQQMKKLHBC-IBGZPJMESA-N 468.475 5.810 50 10 JKGE CC(=NNC(=O)CSc1nnc(-c2ccc(C)cc2)n1C1CCCCC1)c1ccc2ccccc2c1 254818773 HFBZONMMLBOWGE-UHFFFAOYSA-N 497.668 6.544 50 10 JKGE Cc1ccccc1C[C@H](C(=O)NN=Cc1ccc(-c2ccc(Cl)c(Cl)c2)o1)c1ccccc1 263627133 PXBJTIURWYYXSH-QHCPKHFHSA-N 477.391 7.038 50 10 JKGE CCCCCCCCCCCC(=O)NCC(=O)NN=Cc1ccccc1OCc1ccccc1 263631023 VQNHAKSXNDGWHP-UHFFFAOYSA-N 465.638 5.753 50 10 JKGE Clc1cc([C@H](Br)c2cc(Br)c(Br)s2)cs1 307585842 NJEZFQCJAGDAGQ-QMMMGPOBSA-N 451.430 6.472 50 10 JKGE C[C@@H]1CN(Cc2ccccc2)CCN(c2cc(Br)ccc2CBr)C1 323510552 YKQLMESQSMAXIO-MRXNPFEDSA-N 452.234 5.302 50 10 JKGE O=C(OCc1ccccc1)N1C[C@@H](CI)[C@H](c2ccc(Cl)c(F)c2)C1 382697665 BLEBEYSZLKBCSJ-CVEARBPZSA-N 473.713 5.266 50 10 JKGE Cc1oc(Br)cc1[C@H](Br)c1cc2c(cc1Br)NC(=O)C2 396611416 UBMYVDSFAQCKIV-AWEZNQCLSA-N 463.951 5.092 50 10 JKGE CCCOc1ccc([C@@H](Br)c2cn(C)c(Br)n2)cc1Br 829353154 AAAMVWGLSSMKOQ-CYBMUJFWSA-N 466.999 5.218 50 10 JKGE COc1cccc(COc2ccccc2C=NNC(=O)[C@@H](C)Oc2ccc3ccccc3c2)c1 1084351167 LXQTUQWOBDGERT-HXUWFJFHSA-N 454.526 5.345 50 10 JKGE Cc1ccc(-c2ccccc2)n1-c1ccc(C(=O)NN=Cc2cc(Cl)cc(Cl)c2O)cc1 1084428728 DFJFVUONCUCQCO-UHFFFAOYSA-N 464.352 6.229 50 10 JKGE CCOc1cc(/C=C(\C#N)C(=O)NCCc2c[nH]c3ccccc23)cc(Cl)c1OCc1ccccc1 1084585982 JXEXCIZJRAYKJO-OEAKJJBVSA-N 499.998 6.065 50 10 JKGE CCOc1ccc([C@H](O)CCC(=O)NN=Cc2cc(C)n(-c3cc(Cl)ccc3OC)c2C)cc1 1084613012 JAROZNALEGEESS-XMMPIXPASA-N 483.996 5.119 50 10 JKGE Cc1cc(Cl)ccc1NC(=O)c1oc2c(c1C)C(=NNC(=O)c1cccc(Cl)c1)CCC2 1772746654 ZCITZBZXQUMLNX-UHFFFAOYSA-N 470.356 5.926 50 10 JKGE N#CSc1ccc(NC(=O)Oc2cccc3c(NC(=O)c4ccc(F)c(F)c4F)cccc23)cc1 1858776127 MTQRUVYLUQAGAP-UHFFFAOYSA-N 493.466 6.693 50 10 JKGE COc1ccc2ccccc2c1[C@@H]1C(C#N)=C(N)Oc2c1c(-c1ccccc1)nn2CC(C)C 1865688246 NVGKEDLJFKTEIA-DEOSSOPVSA-N 450.542 5.586 50 10 JKGE CCCc1nn(-c2ccccc2Cl)c2c1[C@@H](c1ccc(N(CC)CC)cc1)C(C#N)=C(N)O2 1865702550 WROXDSCRGWWQGC-QHCPKHFHSA-N 461.997 5.543 50 10 JKGE N#CC1=C(N)Oc2c(c(C(F)(F)F)nn2Cc2ccccc2F)[C@H]1c1ccc(Br)cc1 1865714776 PXHRYYFJWAMBSU-INIZCTEOSA-N 493.258 5.070 50 10 JKGE N#C/C(=C\c1cccc(Br)c1)C(=O)Nc1ccc(OCc2ccc(Cl)cc2)cc1 1866130867 QOMJFZKZROUTMI-LDADJPATSA-N 467.750 6.227 50 10 JKGE Cc1ccc(-c2nc(Nc3ccc(SC#N)cc3)cc(N(C)CC(C)(C)c3ccccc3)n2)cc1 1868320760 NIAVCEAJZQTRMH-UHFFFAOYSA-N 479.653 7.183 50 10 JKGE CCc1ccc([C@@H]2CN(c3cc(Nc4ccc(SC#N)cc4)nc(C(C)(C)C)n3)CCO2)cc1 1868342018 HSGRFLOAEGOKSM-QHCPKHFHSA-N 473.646 6.231 50 10 JKGE COc1ccc(OC2CCN(c3cc(Nc4ccc(SC#N)cc4)nc(C(C)(C)C)n3)CC2)cc1 1868342362 TTYDJWWAPBQAHI-UHFFFAOYSA-N 489.645 6.147 50 10 JKGE N#C/C(=C(/O)CCc1nc2ccccc2[nH]c1=O)c1nc(-c2ccc(Cl)cc2Cl)cs1 1872744918 OQAOILWZEDWBEM-ZHZULCJRSA-N 469.353 5.779 50 10 JKGE N#C/C(=C(/O)CCCOc1ccc(Cl)cc1Cl)c1nc(-c2ccc3c(c2)CCCC3)cs1 1872745554 SOYWMIAVHZUETK-ATJXCDBQSA-N 485.436 7.648 50 10 JKGE CC(C)(C)c1csc(/C(C#N)=C(O)/C=C/c2ccc(OCc3ccccc3Cl)cc2)n1 1872747586 KEAHKOIQZMYCTQ-IUWFSTEJSA-N 450.991 7.179 50 10 JKGE N#C/C(=C\c1cc(Br)ccc1O)c1nc(-c2cccc(Br)c2)cs1 1872784540 SMLFSHVSVWWSGN-AWNIVKPZSA-N 462.166 6.105 50 10 JKGE BrCC(CBr)(C[C@]12C[C@H](CO1)C2)c1ccccc1Br 1879859913 KOJQVWKCCMMWBP-WGRBQBNCSA-N 453.012 5.046 50 10 JKGE Cc1c(Cl)cccc1COc1c(Br)cc(CBr)cc1Br 1913033779 DHMTUNFDQDZBLH-UHFFFAOYSA-N 483.425 6.647 50 10 JKGE CC(C)[C@H](CBr)N(Cc1ccccc1)C(=O)c1cc(O)cc(Br)c1 1915280577 MIIBZZZTFDBVPK-SFHVURJKSA-N 455.190 5.217 50 10 JKGE Clc1c(Br)sc(Br)c1[C@H](Cl)c1cccc2ccsc12 1923038300 IRJZMQVFMXFHHL-SECBINFHSA-N 457.039 7.469 50 10 JKGE C[C@@H]1CCO[C@H]1[C@@H](Br)c1c(Br)sc(Br)c1Br 1924579250 CHPDIRIKGSZFNO-GZDOIFTASA-N 497.872 5.897 50 10 JKGE Clc1cc([C@@H](Br)c2cc(Br)ccc2Br)sc1Cl 1950191730 ORERWCJQYNQLKH-JTQLQIEISA-N 479.846 7.064 50 10 JKGE CC[C@@H](Br)CN(Cc1ccccc1)Cc1cc(Br)ccc1Br 1962459063 KTDHRUYMGSSMMN-MRXNPFEDSA-N 490.077 6.387 50 10 JKGE Cc1c(Br)sc([C@@H](Br)[C@](C)(F)C(C)(C)F)c1Br 2003235565 ZSHSWRUSFWDIGE-KCJUWKMLSA-N 455.000 6.494 50 10 JKGE C[C@@H](CCCCCI)NC(=O)c1cc(Br)c(Cl)s1 2054154266 JBSPGSZRSOEAEG-QMMMGPOBSA-N 464.594 5.278 50 10 JKGE FC(F)(F)C[C@H](CBr)NCc1cc(Br)ccc1Br 2054712785 JKGZKXIVNVNVMU-SECBINFHSA-N 453.922 5.017 50 10 JKGE CCCOc1ccc(-c2csc(/C(C#N)=C(\O)C(C#N)=Cc3ccccc3)n2)cc1OCCC 2084254928 UFQGMTPZUOIHED-OOSVFZMLSA-N 471.582 6.788 50 10 JKGE CC(C)Cc1ccc([C@H](Br)c2cc(Br)cc(Br)c2)s1 2087332374 KDNVNTXWMRUFLC-OAHLLOKOSA-N 467.064 6.956 50 10 JKGE COc1cc(Br)c(C)cc1[C@H](Br)c1cc(C)c(Br)s1 2089726031 SOYYGBULKMKLSM-ZDUSSCGKSA-N 469.036 6.383 50 10 JKGE BrCC[C@H]1CCCN(Cc2ccc(Br)cc2Br)CC1 2093317993 LSCIEZZXGOAEPA-GFCCVEGCSA-N 454.044 5.599 50 10 JKGE Clc1c(Br)cccc1C[C@@H](CBr)c1ccc(Br)cc1 2110526800 TUQYCZBFQORRPV-LBPRGKRZSA-N 467.426 6.586 50 10 JKGE ClCc1nc2cc(Cl)c(Br)cc2n1C[C@H]1CCCN1Cc1ccccc1 2112690082 AGSPUCOEGCJTEI-OAHLLOKOSA-N 453.211 5.856 50 10 JKGE Cc1c(CBr)cc(Cl)cc1S(=O)(=O)N(Cc1ccccc1)C1CCCC1 2123269762 SZHNKKFENSKXJH-UHFFFAOYSA-N 456.833 5.677 50 10 JKGE C[C@H](C1CC1)N(Cc1ccccc1)S(=O)(=O)c1cc(F)c(Cl)c(CBr)c1 2123270643 ZERNWPPKUSZVIH-CYBMUJFWSA-N 460.796 5.363 50 10 JKGE Cc1cc(Br)c(C)c([C@H](Br)[C@@H]2CCC[C@@H](C)C2)c1Br 2136383233 FLMUXXDMQLYOKF-VYROHLMNSA-N 453.056 7.091 50 10 JKGE Clc1ccc(COc2c(Cl)cc(Cl)cc2CBr)c(Br)c1 2144773665 JIMPBWGCBYEWDJ-UHFFFAOYSA-N 459.392 6.883 50 10 JKGE Brc1sc([C@@H](Br)c2cc3c(s2)CCSC3)cc1C1CC1 2151033464 RKSOIVAYDTZVKS-AWEZNQCLSA-N 450.286 6.723 50 10 JKGE COc1ccc(Br)cc1[C@@H](Br)c1cc(Br)c(Cl)cc1F 2154123984 SBAFTXRHJLXVAW-AWEZNQCLSA-N 487.388 6.497 50 10 JKGE C[C@@H]1CC[C@@H](CCC(CBr)(CBr)c2ccc(Br)cc2)O1 2161116468 QOOLCPIYZAYJSV-DOMZBBRYSA-N 469.055 5.824 50 10 JKGE ClCc1ccc(Br)c(Cl)c1N1CC[C@@]2(CCCN(Cc3ccccc3)C2)C1 2163317676 KIUHKTOQVQJCQA-JOCHJYFZSA-N 468.266 6.334 50 10 JKGE O=C(NCC[C@H]1CCCC[C@@H]1Br)c1c(Br)cccc1Br 2179629870 PQVQWLOXXFARIJ-MNOVXSKESA-N 468.027 5.285 50 10 JKGE COc1cc([C@H](Br)c2ccc(F)c(Br)c2F)ccc1Br 2192151832 OFOIREXXWYAHRN-LBPRGKRZSA-N 470.933 5.983 50 10 JKGE CCCCCc1ccc([C@H](Br)c2cccc(F)c2I)s1 2197255342 FKTHUSZBBBEXJZ-OAHLLOKOSA-N 467.185 6.709 50 10 JKGE COc1c(C)cc(Br)cc1[C@@H](Br)c1cc(F)ccc1Br 2206573404 ZVQSZXHGABURAN-AWEZNQCLSA-N 466.970 6.152 50 10 JKGE Cc1nc([C@@H](Br)c2c(C)sc(Br)c2C)c(Br)s1 2213637107 RLYTWCNXNUGIEL-QMMMGPOBSA-N 460.054 6.139 50 10 JKGE Clc1cc(Br)c([C@@H](Cl)c2cc(Br)cs2)c(Cl)c1Cl 2217609399 YMELKNGIYVYEOU-JTQLQIEISA-N 469.840 7.562 50 10 JKGE Cc1sc(Br)c(C)c1[C@H](Cl)c1cccc(F)c1I 2218809682 YPTRFVRTSYPLLY-LLVKDONJSA-N 459.549 6.199 50 10 JKGE Cn1cc([C@@H](Br)Cc2ccc(Br)cc2Cl)nc1Br 2221702137 BQTAGSDMDMKJED-VIFPVBQESA-N 457.391 5.277 50 10 JKGE Cc1cc(Br)c([C@H](Cl)c2nn(C)cc2Br)c(C)c1Br 2227354334 JAGPYWRZTAHQOE-LBPRGKRZSA-N 471.418 5.653 50 10 JKGE Clc1cc(Br)c([C@H](Br)[C@H]2C[C@@]23CCCOC3)c(Cl)c1Cl 2232517121 PMRCOOXUSJATGX-OVAUKMOZSA-N 463.424 6.662 50 10 JKGE Fc1cc(Br)c(Br)cc1[C@H](Br)[C@@H]1C[C@@H]1C1CCOCC1 2233975925 MFUPCVMNYPGBQA-IQMDTDKHSA-N 471.002 5.849 50 10 JKGE CCCCCCCCCO[C@H](CI)c1ccccc1Br 2239456364 KKAYYZKHEQBTSG-QGZVFWFLSA-N 453.202 6.692 50 10 JKGE Cc1cc(Br)c(CBr)c(OC2CCN(Cc3ccccc3)CC2)c1 2250353562 WAMQOARNPSXVFY-UHFFFAOYSA-N 453.218 5.696 50 10 JKGE O=C(Cc1cc(Br)cc(Br)c1)N(Cc1ccccc1)C1(CCl)CCC1 2263484421 WZAUMPBGAZRDDU-UHFFFAOYSA-N 485.647 5.944 50 10 JKGE COc1ccc([C@H](Br)c2ccc(Cl)c(Cl)c2)cc1I 2269556403 OLEHXIMYOMFMLZ-CQSZACIVSA-N 471.947 6.091 50 10 JKGE CC(C)C1CC([C@H](Br)c2c(F)cc(Br)c(F)c2Br)C1 2272720980 CDGOGRYTRNGQQF-TYAJBCFHSA-N 460.982 6.608 50 10 JKGE Cc1cc([C@H](Br)c2c(Br)cc(C)c(F)c2C)ccc1Br 2279144481 NUYWNLQKCPPGTB-HNNXBMFYSA-N 464.998 6.760 50 10 JKGE COc1cc(F)c(Br)cc1[C@H](Cl)c1c(F)cccc1I 2282892725 DUARMEZTYYJTJV-AWEZNQCLSA-N 473.482 5.669 50 10 JKGE C=CC[C@@]1(CBr)CCCN(Cc2ccc(Br)cc2Br)C1 2287739487 QAVWRZTWZWZWKD-INIZCTEOSA-N 466.055 5.765 50 10 JKGE N#CC(C(=O)Nc1ccccc1)=C1S[C@H](Cc2ccc(Cl)cc2)C(=O)N1c1ccc(Cl)cc1 2293038899 GDZSSTSOMMPSCI-JOCHJYFZSA-N 494.403 6.058 50 10 JKGE CCOc1cc(C=C(C#N)C(=O)Nc2ccc(Cl)cc2)ccc1OCC(=O)Nc1ccccc1C 2294519852 WJFXIDPUPSWXKZ-UHFFFAOYSA-N 489.959 5.610 50 10 JKGE COc1ccccc1C=CC=NNC(=O)c1cc(-c2ccc(OCc3ccccc3Cl)cc2)[nH]n1 2296208171 KSGXRUMIDXWBGS-UHFFFAOYSA-N 486.959 5.747 50 10 JKGE CCOc1ccc(NC(=O)C(C#N)=Cc2c(Oc3ccc(Cl)cc3)nc3ccccn3c2=O)cc1 2296718544 ULBPKOGYTPCGAL-UHFFFAOYSA-N 486.915 5.085 50 10 JKGE CC(C)N1CC(=Cc2cccc(Cl)c2)C2=C(C1)[C@H](c1cccc(Cl)c1)C(C#N)=C(N)O2 2296733095 XMKIULFQILPFQK-HSZRJFAPSA-N 452.385 5.863 50 10 JKGE Brc1cc(OCc2ccccc2)ccc1[C@@H](Br)C1(CC2CC2)CC1 2299498463 UACCBWOOOVXHQJ-HXUWFJFHSA-N 450.214 7.044 50 10 JKGE CO[C@@H]1C[C@]2([C@@H](Br)c3cc(Br)ccc3OCc3ccccc3)C[C@H]12 2299500222 DEKIADHRYNGTCP-RSPOEFSDSA-N 452.186 5.889 50 10 JKGE Brc1cc(OCc2ccccc2)ccc1[C@H](Br)C[C@@H]1CC[C@H]2C[C@@H]21 2299505114 TWTQZOFXOCEWGN-CPLUKWAASA-N 450.214 6.900 50 10 JKGE Cn1cc(Br)c([C@@H](Cl)c2ccc(OCc3ccccc3)cc2Br)n1 2299532473 HHLWLUWNZRSMSL-KRWDZBQOSA-N 470.592 5.852 50 10 JKGE BrC[C@H](Cc1sccc1I)c1cccc(Br)c1 2301002638 NFYMJXGWLBCAFB-JTQLQIEISA-N 486.010 5.836 50 10 JKGE CCOc1cc(C=C(C#N)C(=O)Nc2ccc(C)cc2C)cc(I)c1OCC 2313518164 OPYYFXGNSSITGT-UHFFFAOYSA-N 490.341 5.251 50 10 JKGE CCOc1ccc(N2C(=O)[C@@H](Cc3ccccc3C)SC2=C(C#N)C(=O)Nc2ccccc2)cc1 2314591960 INMSMYOEPWRIRT-RUZDIDTESA-N 483.593 5.459 50 10 JKGE Cc1ccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)C=Cc4ccc(Cl)cc4Cl)ccc32)cc1 2314634252 NNOQWDFMOXLUAM-RUZDIDTESA-N 477.347 6.139 50 10 JKGE CCOC(=O)C(C#N)=Cc1ccc(OC(=O)COc2ccc(-c3ccccc3)cc2)c(OCC)c1 2314735871 HOVJJHSFBOBVJM-UHFFFAOYSA-N 471.509 5.207 50 10 JKGE COc1cc(C=C(C#N)c2cc3c(cc2[N+](=O)[O-])OCCO3)ccc1OCc1cccc(Cl)c1 2331051375 GGXMSDQCMWGWSP-UHFFFAOYSA-N 478.888 5.671 50 10 JKGE COc1ccc(C=C(C(O)=C(C#N)c2nc(-c3ccc(Cl)cc3)cs2)c2ccccc2)cc1 2331299187 FJXWNEFOLJMTNJ-UHFFFAOYSA-N 470.981 7.506 50 10 JKGE COc1cc(C)c(-c2csc(C(C#N)=C(O)COc3ccc(Cl)cc3)n2)cc1C(C)C 2331356102 OAORAVFQNRNJCJ-UHFFFAOYSA-N 454.979 6.776 50 10 JKGE C[C@H](C(O)=C(C#N)c1nc(-c2ccc(Oc3ccccc3)cc2)cs1)N1C(=O)c2ccccc2C1=O 2331358856 VVEAQPSIRCZJJB-QGZVFWFLSA-N 493.544 6.080 50 10 JKGE Cc1csc(C(C#N)=C(O)[C@H](C)N2C(=O)c3c(Cl)c(Cl)c(Cl)c(Cl)c3C2=O)n1 2331398698 CJGSBRLRABUCHS-LURJTMIESA-N 477.156 5.543 50 10 JKGE CCCC1CC([C@H](Br)c2c(Cl)cc(Br)c(F)c2Br)C1 2337084625 NJFXLBQZIIOFCU-TYAJBCFHSA-N 477.437 7.266 50 10 JKGE CC1(C)CCC[C@@H]1[C@H](Br)c1c(Cl)cc(Br)c(F)c1Br 2337091832 HPXUBHZCMOFLKO-HQJQHLMTSA-N 477.437 7.266 50 10 JKGE Clc1ccc(CN2CC[C@H](CBr)C23CCC3)cc1I 2337217694 AFNJDXQBYKLBNB-GFCCVEGCSA-N 454.577 5.084 50 10 JKGE ClCC1(Cc2ccc(I)c(Br)c2)CC2(CCCC2)C1 2349863704 ATZYBXRCJWDMHD-UHFFFAOYSA-N 453.589 6.176 50 10 JKGE Clc1ccc(CN2CCCC23CCC(Br)CC3)cc1I 2362368394 MRVXRIDUAQVCPI-UHFFFAOYSA-N 468.604 5.617 50 10 JKGE Clc1cccc(C[C@@H](CBr)Cc2ccc(Cl)c(I)c2)c1 2362375233 HXDAHIMFBLWQTN-CYBMUJFWSA-N 484.002 6.394 50 10 JKGE CCCCc1ccc([C@@H](Br)c2c(Br)c(Br)nn2C)cc1 2364063287 HTAFIMHLUHQZFM-GFCCVEGCSA-N 465.027 5.772 50 10 JKGE Clc1cccc(CO[C@H](CI)c2ccccc2Br)c1Cl 2364802850 QPJYGJTVERAYCE-CQSZACIVSA-N 485.974 6.449 50 10 JKGE COc1c(Br)cc(C)c([C@@H](Br)c2ccccc2F)c1Br 2365189448 VDDIOOKXJVHKJW-ZDUSSCGKSA-N 466.970 6.152 50 10 JKGE CCOCc1cc(Br)c([C@H](Br)c2cc(OC)c(Cl)s2)s1 2365841227 VCHZTTLZNRSKLI-LLVKDONJSA-N 460.640 6.255 50 10 JKGE CCCCO[C@@H]1[C@@H](Br)C[C@@H]1OCc1c(Br)cccc1Br 2366144431 FJMAAOAQUIFJBP-SOUVJXGZSA-N 471.027 5.449 50 10 JKGE Cc1ccc(I)c([C@@H](Br)CCc2cc(Cl)cc(Cl)c2)c1 2366904889 XYKKQQZWNWCTEJ-HNNXBMFYSA-N 484.002 6.975 50 10 JKGE N#C/C(C(=O)Nc1ccccc1)=C1\S[C@@H](Cc2cc(Cl)ccc2Cl)C(=O)N1c1ccccc1 2356244 JKFCNINQRRNUCM-KVHSSYOWSA-N 494.403 6.058 50 10 JKGE N#C/C(=C\c1sc(N2CCOCC2)nc1-c1ccccc1)C(=O)Nc1cccc2ccccc12 2641864 RJMDFJAXXVSCFE-HEHNFIMWSA-N 466.566 5.346 50 10 JKGE aggregator Cc1ccc(N(C(=O)CCl)[C@H](C(=O)N[C@H]2CCCC[C@@H]2C)c2ccc(Cl)cc2)cc1C 3035084 RXHRPSUONFVIGL-OWSXEPHWSA-N 461.433 5.965 50 10 JKGE CCSc1ccsc1[C@@H]1C(C#N)=C(N)N(c2cccc(Br)c2)C2=C1C(=O)CCC2 9981624 YKWSJWBQZUNRKZ-LJQANCHMSA-N 486.460 5.927 50 10 JKGE CCSc1sccc1[C@H]1C(C#N)=C(N)N(c2ccccc2F)C2=C1C(=O)CC(C)(C)C2 9982046 GBOUIPVMXFNRKX-FQEVSTJZSA-N 453.608 5.940 50 10 JKGE CCOc1ccccc1NC(=O)/C(C#N)=C/c1ccc(OC(F)(F)[C@H](F)C(F)(F)F)cc1 16437748 KCCXGKIYLPLSSJ-FIIODCPWSA-N 458.358 5.503 50 10 JKGE C[C@H](NC(=O)/C(C#N)=C\c1cn(-c2ccccc2)nc1-c1ccc(Cl)cc1)c1ccccc1 33407933 YAEOXZNALZZRAW-ODENVGOISA-N 452.945 5.977 50 10 JKGE CCOC(=O)c1c(-c2ccc(C)cc2)csc1NC(=O)/C(C#N)=C\c1cccc([N+](=O)[O-])c1 33918875 QCPDBFRSMNCJMB-WQRHYEAKSA-N 461.499 5.354 50 10 JKGE Cc1ccc(C(=O)Oc2ccc(Br)cc2/C=N\NC(=O)c2cccc(C)c2)cc1 34857739 LXKMQIHPDSZPMJ-QFEZKATASA-N 451.320 5.049 50 10 JKGE CCOc1cc(/C=C(\C#N)c2nc(O)c3ccccc3n2)ccc1OCC(=O)Nc1ccc(C)cc1 34988308 KIKHRHSEWOVENA-XSFVSMFZSA-N 480.524 5.124 50 10 JKGE Cc1cc(C(=O)CCl)c(C)n1-c1c(Br)cc(Br)cc1Br 37327060 AXHLSASEYDFKMS-UHFFFAOYSA-N 484.413 5.803 50 10 JKGE CC(C)(C)c1ccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4ccccc4Cl)ccc32)cc1 38649702 HLCLRPYIPIXDPB-DEOSSOPVSA-N 458.945 6.075 50 10 JKGE CCCOc1ccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)COc4cccc(Cl)c4)ccc32)cc1 38650736 KFQRFCJSSCHUST-SANMLTNESA-N 490.943 5.331 50 10 JKGE N#CC1=C(N)Oc2cc(OC(=O)c3ccccc3)ccc2[C@@H]1c1ccc(OCc2ccccc2)cc1 38650892 KDFXYIMKJLCTMD-NDEPHWFRSA-N 474.516 5.703 50 10 JKGE C=CCOc1ccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)COc4ccc(CC)cc4)ccc32)cc1 38658237 HWRNNPDKNOQAFT-NDEPHWFRSA-N 482.536 5.016 50 10 JKGE COC(=O)c1ccccc1NC(=O)/C(C#N)=C/c1ccc(-c2cc(C(F)(F)F)ccc2Cl)o1 39884841 CGXWUBVIFCTKND-JLHYYAGUSA-N 474.822 5.951 50 10 JKGE COc1ccc(CCN2C(=O)C(C#N)=C(C)/C(=C\c3ccc(OCc4ccc(C)cc4)cc3)C2=O)cc1 40514710 NOFDQYWBCCXONB-MTDXEUNCSA-N 492.575 5.418 50 10 JKGE COc1ccccc1C(=O)N/N=C1\CCCc2oc(C(=O)Nc3ccc(C)c(Cl)c3)c(C)c21 40813158 ZGQRULHIFZQLHA-TURZUDJPSA-N 465.937 5.281 50 10 JKGE COc1cc(/C=C(\C#N)C(=O)NCc2ccccc2)ccc1OC(=O)COc1ccc(C(C)C)c(C)c1 40870089 FUNIBZQSPWPLHR-BUVRLJJBSA-N 498.579 5.335 50 10 JKGE CCOc1ccc([C@@H](O)CCC(=O)N/N=C\c2ccc(OCc3ccccc3Cl)cc2)cc1 58893693 ZZACQQYGMVCHSL-PFQJNYNCSA-N 466.965 5.282 50 10 JKGE CCCCCCCOc1ccc(C(=O)NC(=S)NNC(=O)COc2ccccc2[C@H](C)CC)cc1 100154350 DKYHRLODYVVWKV-HXUWFJFHSA-N 499.677 5.264 50 10 JKGE CC1=C(C#N)C(=O)N(CCCOC(C)C)C(=O)/C1=C/c1cn(-c2ccccc2)nc1-c1ccc(F)cc1 101336141 VUPAIVHKBBHXMJ-PCLIKHOPSA-N 498.558 5.086 50 10 JKGE CC1=C(C#N)C(=O)N([C@@H](C)c2ccccc2)C(=O)/C1=C/c1cn(-c2ccccc2)nc1-c1ccccc1 101337437 QIFAXNGKKQWVPJ-RHOWTMNOSA-N 484.559 5.893 50 10 JKGE COc1ccc([C@H](Br)c2cc(Br)ccc2Br)c(OC)c1 109844779 LJXVPGCOIDLDAF-HNNXBMFYSA-N 464.979 5.713 50 10 JKGE COc1c(C)cc(Br)c(C)c1[C@@H](Br)c1cc(Br)ccc1Cl 125747022 BAVKITSYZQRLPV-HNNXBMFYSA-N 497.452 6.975 50 10 JKGE Cc1cc(Br)cc([C@@H](Br)c2csc3c(Br)cccc23)c1 132023507 YGYZSORCTDXUNR-OAHLLOKOSA-N 475.043 7.219 50 10 JKGE C[C@H](Cl)c1nc2cc(F)c(Br)cc2n1Cc1cc(Br)cs1 158640055 OZRPXRWOWYQZAJ-ZETCQYMHSA-N 452.574 6.110 50 10 JKGE C=CCN1C(=O)C(C#N)=C(C)/C(=C/c2cn(-c3ccccc3)nc2-c2ccc(SCCC)cc2)C1=O 214354025 YDDPFIOHPFXWPR-UQQQWYQISA-N 494.620 5.820 50 10 JKGE Cc1cc(Br)c([C@H](Br)c2c(F)ccc(C)c2F)cc1Br 214865391 WOJKKGLCYRBFKK-AWEZNQCLSA-N 468.961 6.591 50 10 JKGE Cc1ccc2nc(-c3ccc(N/C=C(/C#N)C(=O)Nc4cc(Cl)ccc4Cl)cc3)sc2c1 217135584 YOBDKDPLTCJJKJ-SSZFMOIBSA-N 479.392 7.037 50 10 JKGE Brc1cc([C@@H](Br)[C@H]2CCc3ccccc3C2)sc1Br 223618921 AUKBMMLRGXDWRC-FZMZJTMJSA-N 465.048 6.514 50 10 JKGE O=C(Nc1ccccc1CBr)c1ccc(I)c(Cl)c1 232348987 FEVQVNNIZIRKSJ-UHFFFAOYSA-N 450.501 5.092 50 10 JKGE CCOc1ccc(C(=O)Oc2ccc(C=NNC(=O)Cc3cccc4ccccc34)cc2OC)cc1 254383405 WQHWXLYTKWMPGQ-UHFFFAOYSA-N 482.536 5.159 50 10 JKGE CCCCCCCCCCCCCCCC(=O)NN=Cc1ccc(OC(=O)c2cccc(C)c2)cc1 254489112 PXNGZZIVERHZAE-UHFFFAOYSA-N 492.704 8.146 50 10 JKGE CCOc1cc(C=NNC(=O)c2ccccc2OCc2ccccc2)ccc1OC(=O)c1ccccc1 254507203 FFVXDNOTEXZHOX-UHFFFAOYSA-N 494.547 5.647 50 10 JKGE CCC(C)(C)c1ccc(OCCCC(=O)NN=Cc2ccc(O)c(O)c2O)c(C(C)(C)CC)c1 254507730 HFDXUFRJRLPQAU-UHFFFAOYSA-N 470.610 5.488 50 10 JKGE O=C(NN=Cc1c2ccccc2cc2ccccc12)c1cc(-c2ccc3c4c(cccc24)CC3)n[nH]1 254765203 NQCWALNSPHUCOI-UHFFFAOYSA-N 466.544 6.399 50 10 JKGE CCOc1cc(C=NNC(=O)C(O)(c2ccccc2)c2ccccc2)ccc1OCc1ccccc1 254837503 CFQDFJVSEVHVIA-UHFFFAOYSA-N 480.564 5.051 50 10 JKGE Cc1ccc(OCC(=O)NN=Cc2cc(N=Nc3cccc4ccccc34)ccc2O)c([N+](=O)[O-])c1 254871990 KGZYCOHUBSHEQL-UHFFFAOYSA-N 483.484 5.707 50 10 JKGE BrCc1ccc2scc(I)c2c1I 306839312 YSEXKAHGEPVSIL-UHFFFAOYSA-N 478.918 5.005 50 10 JKGE COc1cc(F)c(Br)cc1[C@H](Br)c1ccc(OCc2ccccc2)cc1 311694202 LGKSHMYOKGIUBG-OAQYLSRUSA-N 480.171 6.660 50 10 JKGE Brc1cc2c(c([C@@H](Br)c3ccccc3OCc3ccccc3)c1)OCC2 311917715 DIKMEDOTGWTPDA-NRFANRHFSA-N 474.192 6.447 50 10 JKGE C[C@H](Cl)c1nc2cc(I)c(F)cc2n1[C@@H]1CCCN(Cc2ccccc2)C1 312146303 QDVNTLPIQXSZCG-GOEBONIOSA-N 497.783 5.917 50 10 JKGE Clc1cc(Br)ccc1COc1cccc(CBr)c1Br 315488884 AWIVMAXJEAUCIB-UHFFFAOYSA-N 469.398 6.339 50 10 JKGE C[C@@H](Br)CC(C)(C)CNC(=O)c1cc(Br)ccc1Br 393558188 ZIOLWDUONLCUON-SECBINFHSA-N 456.016 5.141 50 10 JKGE Cc1cc(F)c([C@H](Cl)c2cc(I)ccc2Br)cc1C 395886366 JFOQYLAXFKVLSJ-OAHLLOKOSA-N 453.520 6.138 50 10 JKGE Brc1cc2c(c([C@H](Br)Cc3ccccc3Br)c1)OCC2 692448700 PLYIBFILZRYYEH-OAHLLOKOSA-N 460.991 5.825 50 10 JKGE CC1(C)CC[C@@H](CBr)N(C(=O)c2ccc(Br)cc2Br)C1 701587883 AVKITIHFVCBOBQ-NSHDSACASA-N 468.027 5.237 50 10 JKGE Brc1csc([C@@H](Br)c2ccc3c(c2)CCC3)c1Br 705425349 KKRKVMCODQYUCB-LBPRGKRZSA-N 451.021 6.246 50 10 JKGE Brc1csc([C@@H](Br)c2ccc(C3CC3)s2)c1Br 708015121 GDTBFRGHFVRGAB-NSHDSACASA-N 457.050 6.696 50 10 JKGE COc1cc(C=NNC(=O)c2ccc([N+](=O)[O-])cc2)ccc1OCc1ccc(Cl)cc1Cl 1084279238 AVLMHQBUJZPVLB-UHFFFAOYSA-N 474.300 5.253 50 10 JKGE CCc1ccc(NC(=O)/C(C#N)=C\c2ccc(OCc3cccc4ccccc34)c(OC)c2)cc1 1084336632 WLIPHIWNURKTDZ-UQQQWYQISA-N 462.549 6.535 50 10 JKGE Cc1ccc(C)n1-c1cccc(C(=O)NN=Cc2ccccc2OCc2ccc(C(=O)O)cc2)c1 1084346116 SCTBICBAVNXAIY-UHFFFAOYSA-N 467.525 5.135 50 10 JKGE C=CCc1cc(/C=C(\C#N)C(=O)Nc2ccc(C)cc2)cc(OCC)c1OCc1cccc([N+](=O)[O-])c1 1084366021 MEKQYNMTWGRCAL-BUVRLJJBSA-N 497.551 6.155 50 10 JKGE O=C(OCc1ccccc1)N1C[C@H](c2cc3ccccc3nc2Cl)[C@@H](CBr)C1 1614690178 BTJYDXOFWVMZFS-HKUYNNGSSA-N 459.771 5.635 50 10 JKGE CC(=O)O[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)C1=O 1857787888 RCRNHNQUADUPMA-XVWRPHCGSA-N 460.731 6.450 50 10 JKGE N#CC1=C(N)Oc2c(c(C(F)(F)F)nn2Cc2c(F)cccc2Cl)[C@H]1c1cccc(Cl)c1 1865683188 IFNDUYVEBJLLHI-INIZCTEOSA-N 483.252 5.614 50 10 JKGE CCCc1nn(-c2ccccc2Cl)c2c1[C@H](c1ccc(OCC)c(OCC)c1)C(C#N)=C(N)O2 1865688848 CJPGFNPMEMEWDM-HSZRJFAPSA-N 478.980 5.494 50 10 JKGE CCc1nn(Cc2ccc(Cl)c(Cl)c2)c2c1[C@H](c1cc(Cl)ccc1O)C(C#N)=C(N)O2 1865689769 WDMOQTWWMMYBQN-LJQANCHMSA-N 475.763 5.378 50 10 JKGE CCCOc1ccc([C@@H]2C(C#N)=C(N)Oc3c2c(CCC)nn3Cc2ccccc2Cl)cc1 1865692885 GNCNGQOEQJCBJL-HSZRJFAPSA-N 462.981 5.544 50 10 JKGE COc1cc([C@@H]2C(C#N)=C(N)Oc3c2c(C)nn3Cc2ccc(Cl)c(Cl)c2)ccc1OC(C)C 1865696722 QOCAWBRSPHMOLQ-HSZRJFAPSA-N 499.398 5.561 50 10 JKGE CCCCCOc1ccc([C@H]2C(C#N)=C(N)Oc3c2c(CC)nn3-c2ccccc2)cc1OC 1865697270 YVEPAUKXUJQGGT-DEOSSOPVSA-N 458.562 5.230 50 10 JKGE Cc1ccsc1[C@@H]1C(C#N)=C(N)Oc2c1c(-c1ccccc1)nn2Cc1c(F)cccc1Cl 1865699173 MVHOROVLEHYXSW-HXUWFJFHSA-N 476.964 5.979 50 10 JKGE CCc1nn(Cc2cc(C)ccc2C)c2c1[C@H](c1cc(Br)ccc1F)C(C#N)=C(N)O2 1865702301 SAWFCQANJCKDJO-OAQYLSRUSA-N 481.369 5.230 50 10 JKGE Cc1ccc(Cn2nc(C)c3c2OC(N)=C(C#N)[C@@H]3c2ccc(OCc3ccccc3Cl)cc2)cc1 1865703891 IBJKJZKKLWKBPU-MHZLTWQESA-N 496.998 5.999 50 10 JKGE N#CC1=C(N)Oc2c(c(C(F)(F)F)nn2-c2ccccc2)[C@@H]1c1cccc(OCc2ccccc2)c1 1865711798 IFSUXWLHGKZZBM-JOCHJYFZSA-N 488.469 5.688 50 10 JKGE CCC[C@H](NC(=O)[C@H](C)c1ccc(Br)cc1)C(=O)Nc1ccc(SC#N)cc1 1866946029 KHPUGZXMEAWGQP-KUHUBIRLSA-N 460.397 5.049 50 10 JKGE Cc1cccc2cc3c(nc12)N(c1cc(Nc2ccc(SC#N)cc2)nc(-c2cccnc2)n1)CC3 1868566149 VASFYIJHDBXMDN-UHFFFAOYSA-N 487.592 6.406 50 10 JKGE CCOC(=O)Oc1ccc(/C(O)=C(\C#N)c2nc(-c3cccc(Br)c3)cs2)cc1 1872746102 RRZLRZHTFOJHAZ-ZPHPHTNESA-N 471.332 6.058 50 10 JKGE COc1ccc(Cl)cc1-c1csc(/C(C#N)=C(O)/C=C/c2ccc(Cl)cc2Cl)n1 1872758455 AUDLXSJHEHZHEG-CEGDRDMSSA-N 463.773 7.285 50 10 JKGE COc1ccc(-c2csc(/C(C#N)=C(\O)[C@@H](C)N3C(=O)c4ccccc4C3=O)n2)c2ccccc12 1872758710 MRQPREIQOJMLHI-MQUBGCMGSA-N 481.533 5.449 50 10 JKGE N#C/C(=C\c1cc(Br)ccc1F)c1nc(-c2ccc(-c3ccccc3)cc2)cs1 1872782347 GBBXABANPMCNQW-UDWIEESQSA-N 461.359 7.443 50 10 JKGE Cc1ccc(-c2csc(/C(C#N)=C/c3ccc(OCc4ccc(Cl)cc4Cl)cc3)n2)cc1 1872790977 ORHLHJYHLLXWKT-CIAFOILYSA-N 477.416 8.069 50 10 JKGE COc1ccc(C)cc1-c1csc(/C(C#N)=C(\O)c2c(Cl)ccc(Cl)c2Cl)n1 1873920543 ICMDWHNMJASUTK-UNOMPAQXSA-N 451.762 7.037 50 10 JKGE C[C@@H](Oc1ccc(Cl)cc1Cl)/C(O)=C(\C#N)c1nc(-c2ccc(-c3ccccc3)cc2)cs1 1873940681 CJVTXXVJXVXXEJ-XMSLFVONSA-N 493.415 8.044 50 10 JKGE Cc1nc([C@@H](Cl)c2sc(Cl)cc2I)c(Br)s1 1901021491 QJEJCZYEICPKEE-ZCFIWIBFSA-N 468.994 5.862 50 10 JKGE Cc1cccc(C(=O)N(Cc2ccccc2)C[C@H](C)Br)c1I 1914607919 MWEQUVJQOJZYCI-AWEZNQCLSA-N 472.164 5.025 50 10 JKGE C[C@@H](c1cccs1)N(Cc1ccccc1)S(=O)(=O)c1ccc(CCl)c(Br)c1 1914891576 NNDQKJQURBKBHS-HNNXBMFYSA-N 484.868 6.202 50 10 JKGE FC(F)(F)c1cc(Br)cnc1N(Cc1ccccc1)[C@@H](CBr)C1CC1 1915189324 OPFXGCGOORWQCB-INIZCTEOSA-N 478.150 6.043 50 10 JKGE Cc1c(Br)sc([C@H](Br)C2(C)CC(F)(F)C2)c1Br 1922911933 IKFQQMSLGUJKEA-QMMMGPOBSA-N 452.984 6.453 50 10 JKGE Cc1c(Br)sc([C@H](Br)C(C)(C)[C@H]2CCCO2)c1Br 1922932690 OECGSYFKQDTTAJ-KCJUWKMLSA-N 461.057 6.223 50 10 JKGE FC(F)(F)COCC[C@@H](Cl)c1c(Br)sc(Br)c1Cl 1923050116 QKYSFBOOCYCJCE-SCSAIBSYSA-N 450.929 6.175 50 10 JKGE CCc1ccc([C@@H](Br)c2c(Br)sc(Br)c2Cl)s1 1923050808 ZVQLLPIZAJCIIL-MRVPVSSYSA-N 479.484 7.035 50 10 JKGE Clc1c(Br)sc(Br)c1[C@H](Cl)[C@H]1CCOc2ccccc21 1923065917 JAUJGBJPUCBWOB-GZMMTYOYSA-N 457.014 6.773 50 10 JKGE Cc1ccc(Cl)c([C@H](Cl)c2c(Br)sc(Br)c2Br)c1 1925498138 DXLDFYGFIWPOPB-JTQLQIEISA-N 493.873 7.326 50 10 JKGE Cn1ncc(Br)c1[C@@H](Br)c1c(Cl)sc(Br)c1Cl 1925618555 RDWPXTOSDFVWOT-YFKPBYRVSA-N 483.838 5.798 50 10 JKGE O=C(N[C@@H](CCCC[C@H]1CCSS1)C(=O)O)OCC1c2ccccc2-c2ccccc21 1951380404 WQUARFWKNVESRO-AOMKIAJQSA-N 457.617 5.692 50 10 JKGE Brc1csc([C@H](Br)c2ccc(Br)cc2Br)c1 1994123774 CRTIAOGCWQPIQZ-LLVKDONJSA-N 489.852 6.520 50 10 JKGE Fc1cc(Br)c(Cl)cc1[C@H](Br)c1cc(Br)sn1 2007644980 SFVHNMBJHBVHPT-JTQLQIEISA-N 464.379 5.945 50 10 JKGE CCCN[C@H](c1c(Br)sc(Br)c1Br)[C@@H]1C[C@H]1Cl 2020444620 APPFMVGAUAHAMC-KCRUCZTKSA-N 466.464 5.704 50 10 JKGE Cc1[nH]c2ccccc2c1C(=O)C(C#N)=Cc1cccc(C=C(C#N)C(=O)c2c(C)[nH]c3ccccc23)c1 2040459299 SCGGXEJSXVPNAO-UHFFFAOYSA-N 494.554 6.846 50 10 JKGE COc1c(Br)cc(C)cc1[C@@H](Cl)c1sccc1I 2083460521 VFMSXHGEBRVQRE-LLVKDONJSA-N 457.558 5.760 50 10 JKGE Clc1ccc(C[C@H](CBr)c2cccc(Br)c2)c(Br)c1 2088514690 NNJGUOYIOVCZCY-GFCCVEGCSA-N 467.426 6.586 50 10 JKGE Clc1c(Br)sc(Br)c1[C@H](Br)[C@@H]1CCn2ncnc2C1 2108969865 REQKTTLEQDIKRZ-SVGQVSJJSA-N 490.446 5.217 50 10 JKGE O=C(c1cc(Br)c(Br)s1)N(CCBr)Cc1cccs1 2114641428 VCJFBSYJPLQGBS-UHFFFAOYSA-N 488.064 5.372 50 10 JKGE FCCOc1cccc([C@H](Br)c2sc(Br)cc2Br)c1 2132983698 SHBAQBGXNQVAHY-LBPRGKRZSA-N 472.999 6.106 50 10 JKGE COCc1ccc([C@@H](Br)c2sc(Br)c(C)c2Br)cc1 2134742094 PMNPTKQFEZGKKP-GFCCVEGCSA-N 469.036 6.212 50 10 JKGE Cc1cc(Br)c(C)c([C@H](Br)[C@]23CCOC[C@H]2C3)c1Br 2136383585 ZGXAKAMKOQBXHQ-ONERCXAPSA-N 453.012 5.691 50 10 JKGE Clc1cc(CN2CCCC[C@@H]2CCCBr)ccc1I 2142943609 NLGPJBGAROEPTL-CYBMUJFWSA-N 456.593 5.474 50 10 JKGE Cc1cc([C@@H](Br)c2cc(Br)c3c(c2)CCO3)ccc1Br 2146630448 XKTFEEMLGZBMPC-OAHLLOKOSA-N 460.991 5.939 50 10 JKGE CCOc1ccc([C@@H](Cl)c2cccc(Br)c2Br)c(Br)c1 2148751869 RPMNLRYKPKHYGV-OAHLLOKOSA-N 483.425 6.701 50 10 JKGE COc1ccc(C[C@H](Br)c2cc(Cl)ccc2I)cc1F 2168404192 NLTIEJMVVOPNGQ-LBPRGKRZSA-N 469.519 5.771 50 10 JKGE CC(C)C(CCOc1c(Br)cc(CBr)cc1Br)C(C)C 2189259312 UZYLWIGDVNEMJL-UHFFFAOYSA-N 471.071 6.804 50 10 JKGE BrCc1cc(Br)cc(Br)c1OC[C@H]1C[C@]12CCCOC2 2198174598 ABTROMVNEIUMOV-ABAIWWIYSA-N 469.011 5.302 50 10 JKGE COc1cc(C)c([C@H](Br)c2ccc(Cl)cc2Br)cc1Br 2198736798 IODAMXGEJYDLHK-OAHLLOKOSA-N 483.425 6.666 50 10 JKGE COc1cc(Cl)c([C@H](Cl)c2ccc(Br)c(Cl)c2)cc1Br 2202348631 ZTGUMJKUVUKUGL-CQSZACIVSA-N 459.392 6.855 50 10 JKGE CC(C)c1nc(Br)c(Br)n1CCCCCI 2211193718 CZZCZUOUDAMQEZ-UHFFFAOYSA-N 463.983 5.137 50 10 JKGE CC1(C)CC(C)(CO[C@@]2(CI)CCCN(C(=O)OC(C)(C)C)C2)C1 2215317183 QXTDGAQLWUMNJF-LJQANCHMSA-N 451.389 5.034 50 10 JKGE CCCCOCC[C@H](Cl)c1sc(Br)c(Br)c1Br 2216409003 VGNMROAZSCBTAP-ZETCQYMHSA-N 469.464 6.522 50 10 JKGE Cn1cc(Cl)c([C@H](Br)c2cc(Br)c(Br)cc2F)n1 2218598769 WOKPAAJHLIVKNC-SNVBAGLBSA-N 461.354 5.222 50 10 JKGE COc1cc(Br)c([C@H](Br)c2cscc2Br)cc1C 2220448243 VRLSYXYJQOCTDY-ZDUSSCGKSA-N 455.009 6.074 50 10 JKGE Cn1nc([C@@H](Cl)c2cc(Br)c(Br)cc2F)c(Br)c1Cl 2225634690 QISQXRZWGFNYSA-VIFPVBQESA-N 495.799 5.828 50 10 JKGE COc1cc(Cl)c([C@@H](Br)c2sc(C)cc2Br)cc1Br 2229299869 DJKHHTCTTYMJJD-GFCCVEGCSA-N 489.454 6.728 50 10 JKGE O=S1(=O)CCC[C@H]([C@H](Br)c2c(Br)cc(Cl)c(Cl)c2Cl)C1 2232519776 LSJLGMZTUMKTIF-WKEGUHRASA-N 485.452 5.670 50 10 JKGE Cc1ccc(Br)cc1[C@H](Br)c1c(Br)cc(C)c(Cl)c1C 2232526945 BCQUFGZRKKMRCV-HNNXBMFYSA-N 481.453 7.275 50 10 JKGE CC1(C)[C@H](OCc2ccccc2)C[C@H]1n1c(CCl)nc2c(F)cc(Br)cc21 2232917256 ZJGCSENPGUXFSB-QZTJIDSGSA-N 451.767 6.233 50 10 JKGE CCOCc1cc(Br)c([C@@H](Br)c2cccc(Cl)c2Cl)s1 2233019226 SLPOCNIOBUJORX-LBPRGKRZSA-N 459.030 6.838 50 10 JKGE COc1ccc(Br)c(CBr)c1OCc1ccc(Br)cc1 2236042111 WWACOOROMQEEJT-UHFFFAOYSA-N 464.979 5.694 50 10 JKGE Cc1cc2sc([C@@H](Br)Cc3ccc(Br)cc3Cl)cc2s1 2237436005 GHCPOQLJQCCPJM-NSHDSACASA-N 450.648 7.366 50 10 JKGE Cc1sc([C@H](Br)c2sccc2I)c(Br)c1C 2242649938 YHQZJRMSZCAWIK-SECBINFHSA-N 492.039 6.278 50 10 JKGE Brc1cc2sc([C@@H](Br)c3ccoc3Br)cc2s1 2252873557 FCBSRDFQFXJHKF-JTQLQIEISA-N 457.006 6.565 50 10 JKGE CCCCc1ccc([C@H](Br)c2cc(Br)cc(Br)c2)s1 2264369635 YNZUREIKBKHOLP-OAHLLOKOSA-N 467.064 7.100 50 10 JKGE Cc1cc(Cl)c(Br)cc1[C@@H](Cl)c1c(F)cccc1I 2267745371 WMIYIGJRDPNGAW-CQSZACIVSA-N 473.938 6.483 50 10 JKGE CCc1ccc([C@H](Br)c2c(F)cc(Br)c(F)c2Br)s1 2272741642 VJXKUIZCIASOPI-NSHDSACASA-N 474.990 6.598 50 10 JKGE Clc1c(Br)cccc1[C@@H](Cl)Cc1cc(Br)cc(Br)c1 2277954652 FIERFSLNRCQSCL-ZDUSSCGKSA-N 487.844 7.150 50 10 JKGE Brc1cc(Br)cc(C[C@@H](Br)c2ccc3c(c2)CCC3)c1 2295273752 BOADAALURWTWHW-QGZVFWFLSA-N 459.019 6.379 50 10 JKGE N#CC(=Cc1ccc(OCCOc2ccc(C3CCCCC3)cc2)cc1)C(=O)NCc1ccco1 2297624566 BHNMLJDMKNNIFT-UHFFFAOYSA-N 470.569 6.008 50 10 JKGE Oc1nc(=Nc2ccccc2)ccn1C(=N[C@H](Cl)c1ccccc1)C(Cl)(Cl)Cl 2297736473 ZEHRKWKTQWKYAD-INIZCTEOSA-N 456.160 5.376 50 10 JKGE C[C@]1([C@@H](Br)c2c(Cl)cc(Br)c(F)c2Br)C[C@H]1F 2300163152 LFEXENBAJWXBDN-DADVEIPYSA-N 453.346 6.188 50 10 JKGE C[C@@H](CCBr)CCOCc1ccc(I)c(Br)c1 2306307095 MCEKOKXWEDOXFE-JTQLQIEISA-N 475.990 5.382 50 10 JKGE COC1CC(CC[C@@H](Br)c2ccc(OCc3ccccc3)cc2Br)C1 2314497049 HGDVKDOGWJXJEG-OUNSHVDWSA-N 468.229 6.669 50 10 JKGE C=CCN1C(=O)C(=Cc2ccc(OCc3ccccc3Cl)c(OCC)c2)C(C)=C(C#N)C1=O 2314616667 GUBKJDGYKQEBAI-UHFFFAOYSA-N 462.933 5.096 50 10 JKGE Cc1cc(Br)c(F)c(Br)c1[C@H](Br)c1ccc(Cl)s1 2317396329 RECYUVGYIOVKBV-SNVBAGLBSA-N 477.418 6.858 50 10 JKGE Cc1c(Br)sc([C@@H](Br)C23CC(C[C@H](C)O2)C3)c1Br 2319572176 ZTXHTJUCTNVAIS-KZOARVOFSA-N 459.041 5.975 50 10 JKGE Cc1ccc(C=NNC(=O)CSc2nc(O)c3c(-c4ccc(C(C)C)cc4)csc3n2)cc1 2320486350 AMNDJNNQPGBPNG-UHFFFAOYSA-N 476.627 5.738 50 10 JKGE O=C(CC(c1ccccc1)c1ccccc1)NN=C1C(=O)N(Cc2ccccc2Cl)c2ccccc21 2326839028 VIJZMZPONJRMEX-UHFFFAOYSA-N 493.994 5.929 50 10 JKGE COc1ccc(-c2csc(C(C#N)=C(O)[C@H]3CC(=O)N(c4cc(Cl)ccc4OC)C3)n2)cc1C 2331259277 KBGCICDJFFLRPD-INIZCTEOSA-N 495.988 5.635 50 10 JKGE CCOc1ccc(-c2csc(C(C#N)=C(O)c3ccccc3I)n2)cc1 2331305960 SFHXAPFXDZUOGL-UHFFFAOYSA-N 474.323 5.763 50 10 JKGE N#CC(=C(O)c1cccc(N2COc3ccc4ccccc4c3C2)c1)c1nc(-c2cccs2)cs1 2331326378 AVDXMOYHNPUYDO-UHFFFAOYSA-N 493.613 7.331 50 10 JKGE CCOc1ccc(-c2csc(C(C#N)=C(O)c3cc(OC)cc(OC)c3)n2)c(OCC)c1 2331386969 JEWRHSCIZBFEII-UHFFFAOYSA-N 452.532 5.575 50 10 JKGE COc1c(C)cc(Cl)cc1-c1csc(C(C#N)=C(O)c2ccc(Cl)c([N+](=O)[O-])c2)n1 2331392329 RRVZBRBABUZRMI-UHFFFAOYSA-N 462.314 6.292 50 10 JKGE COc1ccc(-c2csc(C(C#N)=C(O)c3ccc(OCC(C)C)cc3)n2)c2ccccc12 2331408344 ZXBSIJPATFRNSJ-UHFFFAOYSA-N 456.567 6.957 50 10 JKGE Cc1c(Cl)sc(Cl)c1[C@@H](Br)c1cc(F)c(Br)cc1Cl 2336087084 UIUVSBQIHJLWKR-JTQLQIEISA-N 467.412 7.403 50 10 JKGE Fc1c(Br)cc(Cl)c([C@@H](Br)[C@@H]2C[C@H]3CC[C@H]2C3)c1Br 2337092649 UCTGCTHOXATDKF-ZNWBZCOPSA-N 475.421 6.876 50 10 JKGE CC[C@@H]1OCC[C@H]1[C@@H](Br)c1c(Cl)cc(Br)c(F)c1Br 2337114606 RXVMSHLUZOBNLC-OUAIYISWSA-N 479.409 6.255 50 10 JKGE Cc1cc([C@H](Br)c2c(Br)c(Br)nn2C)c(Cl)cc1F 2338722895 RLCXHJPXCZLUOS-VIFPVBQESA-N 475.381 5.530 50 10 JKGE C[C@@H]1CCC[C@@]12[C@@H](Oc1cc(Br)cc(I)c1)C[C@H]2Cl 2338756691 BZPKKBQBEBDNLK-ZAOWEBSESA-N 455.561 5.619 50 10 JKGE Cc1cc(Br)c(F)c(Br)c1[C@@H](Br)C1CCCCCC1 2339673769 DQACWSJTIHSKTE-ZDUSSCGKSA-N 457.019 7.066 50 10 JKGE Cc1cc(Br)c(F)c(Br)c1[C@@H](Cl)c1cccc(OCc2ccccc2)c1 2339687109 RELJPXOGOPAHEQ-FQEVSTJZSA-N 498.617 7.566 50 10 JKGE COc1c(Br)cc(C)c([C@H](Br)C23CC(CCO2)C3)c1Br 2365182718 CYFSNQDGHAOLJK-WOFGGDGOSA-N 469.011 5.534 50 10 JKGE CCCOC1([C@@H](Br)c2c(C)cc(Br)c(OC)c2Br)CC1 2365193623 JRUIQGZVASBFGV-AWEZNQCLSA-N 471.027 5.924 50 10 JKGE C[C@@H]1CCC[C@]12[C@H](Br)C[C@H]2OCc1ccc(Cl)cc1I 2365647726 MMJUIELRAVRCGT-HMTTWLPMSA-N 469.588 5.803 50 10 JKGE Cc1cc(Cl)c([C@H](Br)c2cc(Br)c(Cl)cc2C)c(Cl)c1 2381302423 FKMBHGGASYPJFQ-OAHLLOKOSA-N 457.420 7.510 50 10 JKGE COc1cc(-c2nnc(S/C(=C\C#N)c3ccc(F)cc3)n2C2CCCCC2)cc(OC)c1OC 9387461 SHHTZSDJYFXYGT-QRVIBDJDSA-N 494.592 6.272 50 10 JKGE CC[C@H](Oc1ccccc1[C@@H](C)CC)C(=O)NNC(=O)c1ccc(NC(=O)c2ccccc2)cc1 10683701 UDLUTPYDPYRTAC-CYFREDJKSA-N 473.573 5.071 50 10 JKGE CCCCN(CCCC)Cc1ccc(C(=O)NNC(=S)Nc2cccc(C(F)(F)F)c2)o1 20734788 JLPWKSJKQKNHHG-UHFFFAOYSA-N 470.561 5.332 50 10 JKGE O=C(CSc1nc2ccccc2[nH]1)N/N=C/c1ccccc1OCc1ccc(Cl)cc1Cl 32519938 LCGVRBVPSFTONS-RPPGKUMJSA-N 485.396 5.691 50 10 JKGE Cc1ccccc1OCC(=O)Oc1ccc2c(c1)OC(N)=C(C#N)[C@@H]2c1c(Cl)cccc1Cl 38679581 ODVPAPLXEJAZBT-HSZRJFAPSA-N 481.335 5.504 50 10 JKGE N#C/C(=C/c1cccc(OC(=O)c2ccccc2Cl)c1)C(=O)Nc1cccc(C(F)(F)F)c1 96438669 KARGNWJRKCHMEQ-WJDWOHSUSA-N 470.834 6.124 50 10 JKGE Cc1ccc(CS/C(Nc2ccccc2Cl)=C(/C#N)S(=O)(=O)c2ccccc2)c(C)c1 96482136 HESBJHDAVGYAIB-VHXPQNKSSA-N 469.031 6.469 50 10 JKGE CSc1ccccc1[C@H](Br)c1cc(Br)ccc1Br 98021649 HHXDJGBPMDNIEJ-AWEZNQCLSA-N 451.021 6.418 50 10 JKGE CC(C)c1ccc(N2C(=O)[C@H](Cc3ccccc3F)S/C2=C(/C#N)C(=O)Nc2ccccc2)cc1 101244482 QLHUUIBWHQJKNA-IDJUBOEBSA-N 485.584 6.014 50 10 JKGE COc1cccc(-c2nn(-c3ccccc3)cc2/C=C2/C(=O)N(C3CCCCC3)C(=O)C(C#N)=C2C)c1 101338996 OTGSAAXZJPSTCV-YZSQISJMSA-N 492.579 5.473 50 10 JKGE COc1cc(N/C=C(/C#N)c2nc(-c3cccc(Br)c3)cs2)c(C(C)=O)cc1OC 102418967 VBJMFNSZQRDKOF-PTNGSMBKSA-N 484.375 5.769 50 10 JKGE N#C/C(C(=O)Nc1ccc(Cl)cc1)=C1\S[C@H](Cc2ccccc2)C(=O)N1c1ccccc1 102432727 RXJIQXNHXXVKOX-FNBPXTNNSA-N 459.958 5.405 50 10 JKGE CCc1ccc(N/C(SCc2ccccc2C)=C(\C#N)C(=O)NCc2ccc3c(c2)OCO3)cc1 105422884 ICSUUFDPIPFBQY-COOPMVRXSA-N 485.609 5.683 50 10 JKGE CC(C)(C)OC(=O)N1C[C@@H]2C[C@@H]2C[C@@H]1CO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C 208963396 TYABDXDGGLKAFS-XPWALMASSA-N 465.710 5.209 50 10 JKGE CC(=O)Nc1ccc(NC(=O)/C(C#N)=C\Nc2ccc(-c3nc4ccc(C)cc4s3)cc2)cc1 216935523 CUAKCYIRGDSQFT-CYVLTUHYSA-N 467.554 5.688 50 10 JKGE Cc1sc([C@@H](Cl)c2cc(Br)c(Br)s2)cc1Br 227827324 KEUOWMMNQODABB-SECBINFHSA-N 465.457 6.734 50 10 JKGE COc1ccc(F)cc1[C@H](Cl)c1cc(Br)ccc1I 234857580 HZNWSYATZLVKNL-CQSZACIVSA-N 455.492 5.530 50 10 JKGE Cc1cc(-c2ccc(C=NNC(=O)c3cc4c(ccc5ccccc54)o3)o2)c([N+](=O)[O-])cc1C 252603247 FPFFZGVAHFDXKM-UHFFFAOYSA-N 453.454 6.135 50 10 JKGE CCCCCCCCCCCCCCCC(=O)NN=Cc1ccc(OC(=O)c2ccccc2F)cc1 263631602 DDJBTTJIPHNVKR-UHFFFAOYSA-N 496.667 7.976 50 10 JKGE ClCc1nc2cncc(Cl)c2n1-c1ccc(Br)c(I)c1 312737148 IMPSBHLJKABYRK-UHFFFAOYSA-N 482.934 5.180 50 10 JKGE O=C(Nc1cccc(CCBr)c1)c1cc(Br)cc(Br)c1 313174401 OHAORYZCNVEMJD-UHFFFAOYSA-N 461.979 5.401 50 10 JKGE BrCc1c(Br)cccc1Oc1ccc(I)cc1 394733037 BZUSZAQAWMSPNZ-UHFFFAOYSA-N 467.926 5.741 50 10 JKGE C[C@H]1CN(Cc2ccccc2)CC[C@H]1n1c(CCl)nc2cc(I)c(F)cc21 397985208 YPSIGEBNJQYWBA-IFXJQAMLSA-N 497.783 5.602 50 10 JKGE COc1ccc([C@@H](Br)c2nscc2Br)c(OC)c1Br 404774526 KSGYXXOAMXQQDW-SECBINFHSA-N 471.996 5.170 50 10 JKGE Brc1ccoc1[C@H](Br)c1csc2c(Br)cccc12 696515179 WDKIFWRBJQIFDQ-LLVKDONJSA-N 450.977 6.504 50 10 JKGE C[C@H](Cl)c1nc2cc(I)ccc2n1[C@@H]1C[C@H](OCc2ccccc2)C1(C)C 718083058 ZSCPFBROBPJBBS-KPOBHBOGSA-N 494.804 6.497 50 10 JKGE COc1ccc([C@H](Br)c2ccc(I)c(Br)c2)c(F)c1 721617786 YMUYQTPTRGNZSN-CQSZACIVSA-N 499.943 5.686 50 10 JKGE Cc1ccc(-n2nc(C)c(C=NNC(=O)[C@@H](C)Oc3ccc(Cl)cc3Cl)c2C)c(C)c1 1084216785 DCSJAPXHLRHRQL-QGZVFWFLSA-N 459.377 5.330 50 10 JKGE COc1ccc(CC(=O)NN=Cc2ccc(OCc3ccc(Cl)cc3Cl)c(OC)c2)cc1 1084446540 RACHOCTXWUMNJN-UHFFFAOYSA-N 473.356 5.282 50 10 JKGE COc1ccc(Cl)cc1NC(=O)c1oc2c(c1C)C(=NNC(=O)c1ccccc1Cl)CCC2 1772744611 YKIUWHXSICRANP-UHFFFAOYSA-N 486.355 5.626 50 10 JKGE COc1cccc(C(=O)NN=C2CCCc3oc(C(=O)Oc4cc(C)c(Cl)c(C)c4)c(C)c32)c1 1772747315 NAXZRPBSRVVBFR-UHFFFAOYSA-N 480.948 5.556 50 10 JKGE CCN(C(=O)c1oc2c(c1C)C(=NNC(=O)c1ccc3ccccc3n1)CCC2)c1cccc(C)c1 1772751142 JAUCQUQVBXZOMP-UHFFFAOYSA-N 480.568 5.582 50 10 JKGE N#CC1=C(N)Oc2c(c(C(F)(F)F)nn2Cc2ccc(Cl)c(Cl)c2)[C@@H]1c1cccc(O)c1 1865681393 MKUBVJWYRCSJDH-MRXNPFEDSA-N 481.261 5.181 50 10 JKGE CCCc1nn(Cc2ccc(F)cc2)c2c1[C@@H](c1ccc(Cl)cc1Cl)C(C#N)=C(N)O2 1865686234 SQCXNMBHEYUPLL-FQEVSTJZSA-N 457.336 5.548 50 10 JKGE CCCc1nn(Cc2ccc(F)cc2)c2c1[C@H](c1ccc(Cl)cc1Cl)C(C#N)=C(N)O2 1865686235 SQCXNMBHEYUPLL-HXUWFJFHSA-N 457.336 5.548 50 10 JKGE CCCc1nn(-c2ccc(Cl)c(Cl)c2)c2c1[C@H](c1cccc(OCC)c1)C(C#N)=C(N)O2 1865690189 KZUPIXLLPHBNRN-OAQYLSRUSA-N 469.372 5.748 50 10 JKGE CCCOc1ccc([C@H]2C(C#N)=C(N)Oc3c2c(C(F)(F)F)nn3Cc2cccc(F)c2)cc1 1865694129 QDQAGTDUDLOJSI-IBGZPJMESA-N 472.442 5.096 50 10 JKGE CCOc1ccc([C@@H]2C(C#N)=C(N)Oc3c2c(C)nn3-c2ccc(Cl)c(Cl)c2)cc1OC 1865696009 WGGGAHIMOUMBIU-OAQYLSRUSA-N 471.344 5.113 50 10 JKGE COc1cc([C@H]2C(C#N)=C(N)Oc3c2c(-c2ccccc2)nn3Cc2ccccc2Cl)ccc1O 1865706051 MKWAFRHKHFAYPL-QHCPKHFHSA-N 484.943 5.184 50 10 JKGE COc1ccc(-c2nn(-c3cccc(Cl)c3)c3c2[C@@H](c2ccc(F)cc2)C(C#N)=C(N)O3)cc1 1865707863 HWNQDKCYHHBGQA-QFIPXVFZSA-N 472.907 5.559 50 10 JKGE CC[C@](C)(NC(=O)[C@H](c1ccc(Cl)cc1)C1CCCC1)C(=O)Nc1ccc(SC#N)cc1 1867008095 RNOPTOMTAMWZDU-DHLKQENFSA-N 470.038 6.111 50 10 JKGE N#CSc1ccc(Nc2cc(N3CCN(c4ccccc4)C(=O)C3)nc(Cc3ccccc3)n2)cc1 1868207093 GBQAXDUJKGPEKZ-UHFFFAOYSA-N 492.608 5.237 50 10 JKGE COc1cc(/C=C(\C#N)c2ccc(Cl)cc2F)ccc1OCc1ccc(Cl)c(Cl)c1 1872729680 ZHQBGPQOOPQRBC-LZYBPNLTSA-N 462.735 7.438 50 10 JKGE COc1cc(/C=C/C(O)=C(\C#N)c2nc(-c3ccc(Cl)cc3Cl)cs2)cc(OC)c1OC 1872744810 JFADPZKYTNCTOY-NHPATHQUSA-N 489.380 6.649 50 10 JKGE N#C/C(=C(/O)CN1C(=O)COc2ccc(Cl)cc21)c1nc(-c2c[nH]c3ccccc23)cs1 1872751623 QAUSCPKQJJTKBK-HKWRFOASSA-N 462.918 5.163 50 10 JKGE COc1ccc(C(C)(C)C)cc1-c1csc(/C(C#N)=C(\O)CCCOc2ccc3ccccc3c2)n1 1872751868 XQHFLNDODSMVJV-RFBIWTDZSA-N 498.648 7.921 50 10 JKGE COc1ccc(/C=C/C(O)=C(\C#N)c2nc(-c3ccc(Oc4ccccc4)cc3)cs2)cc1 1872753649 HRCFLAJTGUCIAK-WOSXIMIYSA-N 452.535 7.117 50 10 JKGE CCCCCCOc1ccc(/C(O)=C(\C#N)c2nc(-c3cc(C(C)C)c(OC)cc3C)cs2)cc1 1872753758 LQMJRFNFWBDFBY-FVDSYPCUSA-N 490.669 8.160 50 10 JKGE COc1ccc(OC)c(/C=C/C(O)=C(\C#N)c2nc(-c3ccc(OC)cc3OC)cs2)c1 1872755568 UAIYRHZIZMSMTA-ISOHXRNISA-N 450.516 5.351 50 10 JKGE COc1cccc(/C=C(\C#N)c2nc(-c3ccc(C)cc3)cs2)c1OCc1cccc(C)c1 1872790905 LBXGPKREKBQEQC-BUVRLJJBSA-N 452.579 7.079 50 10 JKGE CCCCOc1ccc(/C=C(\C#N)c2nc(-c3cc(C)c(OC)cc3C)cs2)cc1OCC 1872794783 WRYKXJFWJGWUCV-KGENOOAVSA-N 462.615 7.077 50 10 JKGE CCCCOc1ccc(/C=C(\C#N)c2nc(-c3cc(Cl)ccc3OC)cs2)cc1OCC 1872795060 LCZMJZNLHPYANW-LDADJPATSA-N 469.006 7.114 50 10 JKGE CCCOc1ccc(-c2csc(/C(C#N)=C(\O)c3cc(Cl)ccc3OC)n2)cc1OCCC 1872817964 FWFQISOZHZEXTR-CLCOLTQESA-N 485.005 7.000 50 10 JKGE N#C/C(=C(/O)CCCCCNC(=O)c1ccccc1)c1nc(-c2ccc(F)cc2F)cs1 1872818089 MIMUAWFQWDTSNV-QOCHGBHMSA-N 453.514 5.871 50 10 JKGE C[C@@H](Br)CN(Cc1ccccc1)Cc1sccc1I 1888197838 DZFUYKYJLZPSMI-GFCCVEGCSA-N 450.183 5.138 50 10 JKGE C[C@H](c1cccs1)N(Cc1ccccc1)S(=O)(=O)c1cc(CCl)ccc1Br 1914890897 JTKUYERKUBQFHX-OAHLLOKOSA-N 484.868 6.202 50 10 JKGE CC[C@H](Br)CN(Cc1ccccc1)C(=O)c1ccc(OC)c(Br)c1 1915089629 AYWXCCRYXHIELU-INIZCTEOSA-N 455.190 5.274 50 10 JKGE C[C@@H](CCBr)N(Cc1ccccc1)C(=O)c1ccc(Br)c(C(F)(F)F)c1 1915090485 LLMRDJCPBOSQII-ZDUSSCGKSA-N 493.161 6.284 50 10 JKGE C[C@@H](CCCl)N(Cc1ccccc1)C(=O)c1ccc(Br)cc1Br 1915091789 BVKUJNVSINYAPR-ZDUSSCGKSA-N 459.609 5.871 50 10 JKGE C[C@@H](CCBr)N(Cc1ccccc1)C(=O)c1cccc(Br)c1Cl 1915129771 CPKSWCBQYCIXPQ-ZDUSSCGKSA-N 459.609 5.918 50 10 JKGE O=C(c1cccc(Br)c1Cl)N(Cc1ccccc1)[C@@H](CBr)C1CC1 1915312520 KTZVBAMYVYPCHB-KRWDZBQOSA-N 471.620 5.918 50 10 JKGE FC(F)(F)c1ccc([C@@H](Cl)c2sc(Br)cc2Br)cc1Cl 1922885525 PPBSGCXWXBYUBO-SNVBAGLBSA-N 468.947 7.274 50 10 JKGE COc1cc([C@H](Br)c2sc(Br)c(C)c2Br)ccc1F 1922899157 ALEIRKLXNNSKAF-NSHDSACASA-N 472.999 6.214 50 10 JKGE Cc1c(Br)sc([C@H](Br)C2(C)C(C)(C)C2(C)C)c1Br 1922919850 ABPWBBGQUDCXFN-JTQLQIEISA-N 459.085 7.090 50 10 JKGE Cc1c(Br)sc([C@@H](Br)C2(CC(F)(F)F)CCC2)c1Br 1922931884 GVYBHANORTXJFP-SECBINFHSA-N 485.001 7.140 50 10 JKGE Cc1c(Br)sc([C@@H](Br)c2cc(F)cc(Cl)c2)c1Br 1922942475 RKHAXZGGSYDOAP-JTQLQIEISA-N 477.418 6.858 50 10 JKGE COc1ccc(C[C@@H](Br)c2sc(Br)cc2Br)cc1OC 1922953706 GVPSPAHKUNKRGP-SECBINFHSA-N 485.035 5.969 50 10 JKGE Cc1cccc([C@H](Br)c2c(Br)sc(Br)c2Cl)c1C 1923050241 RVKSPYFNLRFARL-JTQLQIEISA-N 473.455 7.028 50 10 JKGE Cc1nsc(Br)c1[C@@H](Br)c1c(Cl)sc(Cl)c1Cl 1925557322 ZAGLMVGMSAXULB-RXMQYKEDSA-N 456.439 6.720 50 10 JKGE Cl[C@@H](c1cc(Br)sc1Br)c1sncc1Br 1928068568 NJNAWYGOUKSAKH-LURJTMIESA-N 452.418 5.820 50 10 JKGE C[C@]1([C@H](Br)c2cc(Br)sc2Br)C[C@H]1C(F)(F)F 1950757082 GJMXTOZOSHWHSD-FKBGGTMYSA-N 456.947 6.298 50 10 JKGE CCCN(Cc1ccccc1)S(=O)(=O)c1cc(CBr)c(Cl)cc1Cl 2009645245 IMRRTJMPORLGBV-UHFFFAOYSA-N 451.213 5.489 50 10 JKGE CCN(C[C@@](C)(CI)O[C@H]1CCCCC1(F)F)C(=O)OC(C)(C)C 2020372048 IYPZZRMEJDTOHM-XJKSGUPXSA-N 461.331 5.032 50 10 JKGE COc1sc([C@@H](Br)c2ccc(Cl)c(Br)c2)cc1Br 2034629602 OORPEPYQRKNNAO-NSHDSACASA-N 475.427 6.419 50 10 JKGE CCCCCCN(CCCCCC)CC(=O)C(C#N)=C1NC(c2ccc(Cl)cc2)=CS1 2040464705 YYCIMEPEGWENIX-UHFFFAOYSA-N 460.087 6.742 50 10 JKGE Cc1cc(C=C(C#N)c2nc3c(s2)C[C@H](C)CC3)c(C)n1-c1ccc(Br)cc1 2040465208 COOYYYZPIPYIJJ-CQSZACIVSA-N 452.421 6.502 50 10 JKGE CSc1nc(C)c(-c2csc(C(C#N)=Cc3ccc(Br)cc3)n2)cc1C#N 2040465328 JBUUQPCKXVSVKB-UHFFFAOYSA-N 453.390 5.934 50 10 JKGE FC(F)(F)C[C@@H](CBr)NCc1cc(Br)ccc1Br 2054712789 JKGZKXIVNVNVMU-VIFPVBQESA-N 453.922 5.017 50 10 JKGE Cc1c(Br)sc([C@H](Br)[C@H]2CCC[C@@H]2C(C)C)c1Br 2056447823 KSEGRPIBWWPQMX-JFGNBEQYSA-N 459.085 7.090 50 10 JKGE Clc1cc(Br)cc(Cl)c1Oc1nc(Cl)c(CBr)s1 2082868196 KSSOKOUAXNIPNR-UHFFFAOYSA-N 452.382 6.553 50 10 JKGE Cc1cc(F)c([C@@H](Br)c2cccc(Br)c2Br)cc1F 2092328458 LPKCTZHVESOQOA-ZDUSSCGKSA-N 454.934 6.283 50 10 JKGE C[C@H](Cl)c1nc2cc(Br)c(Cl)cc2n1C1CC(OCc2ccccc2)C1 2103808491 WQCQQPUEROJAEV-GRTSSRMGSA-N 454.195 6.672 50 10 JKGE BrCc1cc(Br)ccc1N1CC[C@]2(CCCN(Cc3ccccc3)C2)C1 2107017407 MAYUZFWAIFAJEF-QFIPXVFZSA-N 478.272 5.837 50 10 JKGE CCCCCCCCCC[C@H](Br)c1cc(Br)c(Br)s1 2108243654 MTICTTFQJSQQBI-LBPRGKRZSA-N 475.128 8.240 50 10 JKGE Cc1c([C@H](Br)c2cc(F)c(Br)cc2F)nn(C)c1Br 2111926316 JUOJURLRSFUKPJ-SNVBAGLBSA-N 458.926 5.016 50 10 JKGE Brc1ccc([C@@H](Br)c2cccc3ccsc23)c(Br)c1 2138854083 RZWOLGZLHWKKRV-CQSZACIVSA-N 461.016 6.911 50 10 JKGE Fc1cc(F)c([C@H](Cl)c2ccc(Br)cc2I)c(F)c1 2142287903 PCQBUDSVDQGVFU-CYBMUJFWSA-N 461.446 5.799 50 10 JKGE C[C@H](Cl)c1nc2ccc(C(F)(F)F)cc2n1CCCN(Cc1ccccc1)Cc1ccccc1 2145185461 WUAJJDBGEIIEJL-FQEVSTJZSA-N 485.981 7.447 50 10 JKGE O=C(c1ccc(Br)cc1Br)N1CCC[C@@H](CCBr)CC1 2149745224 RQDCNWSGGAKWLH-NSHDSACASA-N 468.027 5.239 50 10 JKGE C[C@H]1CCN(Cc2ccccc2)C[C@@H]1n1c(CCl)nc2cc(Cl)c(Br)cc21 2169014826 CZWWRURIAKBEJG-XOBRGWDASA-N 467.238 6.274 50 10 JKGE BrCc1cc(Br)cc(Br)c1OCc1cnn(C2CC2)c1 2186824957 MPBIVSBDSPHTLC-UHFFFAOYSA-N 464.983 5.217 50 10 JKGE Cc1cc(Br)c(C)c([C@H](Br)C2CC[C@@H]3C[C@H]3CC2)c1Br 2201065899 VECQRNUPBMOSKT-PBFPGSCMSA-N 465.067 7.091 50 10 JKGE Cc1ccc([C@H](Br)c2c(C)sc(Br)c2C)c(Br)c1 2218798687 AROBFGNZTVEACS-ZDUSSCGKSA-N 453.037 6.683 50 10 JKGE Cc1c(Br)csc1[C@@H](Br)c1cc(F)c(Br)cc1F 2219007418 OJJZRJGSJXQHCU-NSHDSACASA-N 460.963 6.344 50 10 JKGE Cc1ccc(I)c([C@H](Cl)c2sc(Br)c(C)c2C)c1 2224056458 XQMYWWFSEOHKCF-LBPRGKRZSA-N 455.586 6.369 50 10 JKGE CC1(C)CO[C@@H](C[C@@H](Br)c2c(Br)cc(Cl)c(Cl)c2Cl)C1 2232520298 NUQJWAOSVVTMJU-JGVFFNPUSA-N 465.440 7.051 50 10 JKGE FC(F)(F)[C@@H]1CC[C@H]1[C@@H](Br)c1c(Br)cc(Cl)c(Cl)c1Cl 2232580839 KKPBIBMDZKRIOZ-UDJQAZALSA-N 475.357 7.434 50 10 JKGE Cc1ccc([C@H](Br)c2cc(Cl)cc3c2OCC3)cc1I 2232832441 BKMVBGCQUSIBJL-HNNXBMFYSA-N 463.540 5.672 50 10 JKGE Fc1cc(Br)c(Br)cc1[C@H](Br)c1csc(C(F)(F)F)c1 2233991981 JLBNMYUMYHZUAT-LLVKDONJSA-N 496.943 6.915 50 10 JKGE Cc1c(Br)csc1[C@H](Br)c1cc(Br)cc2c1O[C@H](C)C2 2234515699 WXJKNNOPQMIAFE-FUXBKTLASA-N 481.047 6.389 50 10 JKGE Cc1cc(Br)c([C@H](Br)C2(CC(F)(F)F)CC2)c(C)c1Br 2235604019 LZVKXTYINSKOCJ-LBPRGKRZSA-N 478.972 6.997 50 10 JKGE Cc1cc(Br)c([C@H](Br)[C@@H]2CCCC3(CC3)C2)c(C)c1Br 2235613592 ZCTOQWXXFULVGM-MLGOLLRUSA-N 465.067 7.235 50 10 JKGE C[C@](CI)(O[C@@H]1CC[C@H]2[C@@H]1C2(F)F)c1ccccc1Br 2238675250 JULYOXXQHFJABL-AHLTXXRQSA-N 457.096 5.160 50 10 JKGE BrC[C@@H](OC1CCN(Cc2ccccc2)CC1)c1cccc(Br)c1 2250386383 KXVQJMDNKHDCAP-HXUWFJFHSA-N 453.218 5.566 50 10 JKGE CC(C)(C)CCN(CCBr)C(=O)c1scc(Br)c1Br 2274144728 RRZUQJAWTIMOOI-UHFFFAOYSA-N 476.072 5.546 50 10 JKGE COc1c(Br)cc(Cl)c(C)c1[C@H](Cl)c1cscc1OCc1ccccc1 2277992595 IJNKAMRVPLYMOE-LJQANCHMSA-N 472.231 7.388 50 10 JKGE Cc1ccc(C)c([C@H](Br)c2c(F)cc(Br)c(F)c2Br)c1 2288492683 JBMMQTFLNOCTPP-ZDUSSCGKSA-N 468.961 6.591 50 10 JKGE COC(=O)c1cccc(-c2ccc(C=C(C#N)C(=O)Nc3cccc(Cl)c3Cl)o2)c1C 2294146931 DYYGPTSQGOQOHI-UHFFFAOYSA-N 455.297 5.894 50 10 JKGE Cc1cc(C)c(NC=C(C#N)c2nc(-c3cc4cc([N+](=O)[O-])ccc4oc3=O)cs2)c(C)c1 2295891407 UVLJVSHQVBCGOB-UHFFFAOYSA-N 458.499 5.727 50 10 JKGE CCOC(=O)c1c(-c2ccccc2)csc1NC(=O)C(C#N)=Cc1ccc(OC)c(OC)c1 2296500493 RTLYNOPKCSATJI-UHFFFAOYSA-N 462.527 5.155 50 10 JKGE Cc1c(Cl)sc(Cl)c1[C@H](Cl)c1cc(Br)sc1Br 2299542308 HUTHNIFTWBPKIA-SSDOTTSWSA-N 455.451 7.278 50 10 JKGE Cc1ccc([C@@H](Br)c2sc(Cl)cc2I)cc1Cl 2300954058 RWYBVBMTVGAASH-LLVKDONJSA-N 461.977 6.452 50 10 JKGE CCOc1cc(C=C(C#N)c2ccc([N+](=O)[O-])cc2)ccc1OCc1ccc(Cl)cc1Cl 2313540980 HHMRMVINDJXETF-UHFFFAOYSA-N 469.324 6.943 50 10 JKGE CCOc1cccc(NC(=O)C(C#N)=Cc2c(C)n(Cc3ccc([N+](=O)[O-])cc3)c3ccccc23)c1 2313541456 IVACRNXNTCECAQ-UHFFFAOYSA-N 480.524 5.851 50 10 JKGE N#CC(=Cc1cc(Cl)ccc1OCc1ccccc1)C(=O)Nc1cccc(C(F)(F)F)c1 2313738481 FDQWCIIQCRSHEX-UHFFFAOYSA-N 456.851 6.483 50 10 JKGE CCCCCCCC[C@H](Br)c1ccc(OCc2ccccc2)cc1Br 2314449756 SMDBBDUCWPFBQW-NRFANRHFSA-N 468.273 8.215 50 10 JKGE CCCSc1ccc(-c2nn(-c3ccccc3)cc2C=C(C#N)C(=O)NC2CCCCC2)cc1 2314478226 KKBKJKBAUPTSII-UHFFFAOYSA-N 470.642 6.397 50 10 JKGE CCOc1cccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)C=Cc4ccc(C(C)(C)C)cc4)ccc32)c1 2314634775 KMADHVZPFXRZHT-GDLZYMKVSA-N 494.591 6.220 50 10 JKGE CCCNC(=O)C(C#N)=Cc1ccc(OC(=O)CCCOc2ccc(C(C)(C)CC)cc2)c(OC)c1 2314808145 BKIGATPRCKSWCC-UHFFFAOYSA-N 492.616 5.581 50 10 JKGE Fc1c(Br)cc(Cl)c([C@@H](Br)[C@]23C[C@H](CO2)C3)c1Br 2315445829 AZMWXEJFTDBHGK-XBZVRZDZSA-N 463.366 5.619 50 10 JKGE C[C@@H](c1ccncc1F)[C@H](Br)c1cc(Br)sc1Br 2321452157 ISXLPQKIMKNZIM-KGFZYKRKSA-N 457.988 6.047 50 10 JKGE CCOc1cc(C=C(C#N)c2nc(-c3ccc(Cl)cc3)cs2)cc(Cl)c1OC(C)C 2323831414 HPCOFEGTDONJPP-UHFFFAOYSA-N 459.398 7.367 50 10 JKGE CCCOc1c(Br)cc(C=C(C#N)c2nc3ccccc3n2CC)cc1OCC 2323839162 OWECHMUBWBVGJC-UHFFFAOYSA-N 454.368 6.070 50 10 JKGE O=C1C(=Cc2ccccc2Br)Oc2cc(OCc3cccc(CCl)c3)ccc21 2325358335 DEQKKNJGESTDOP-UHFFFAOYSA-N 455.735 6.383 50 10 JKGE COc1ccc(-c2csc(C(C#N)=C(O)c3ccccc3I)n2)cc1OC 2331245035 PBPBREDFGKQNRW-UHFFFAOYSA-N 490.322 5.382 50 10 JKGE N#CC(=C(O)[C@@H]1CC(=O)N(Cc2ccccc2)C1)c1nc(-c2cccc(Br)c2)cs1 2331278728 DMIUPIBLLWLQQE-QGZVFWFLSA-N 480.387 5.414 50 10 JKGE Cc1ccc(-c2csc(C(C#N)=C(O)c3ccc4c(c3)C(=O)N(CC(C)C)C4=O)n2)c(C)c1 2331309070 SCFIVFSRLIBTDJ-UHFFFAOYSA-N 457.555 5.629 50 10 JKGE CCOc1ccc(-c2csc(C(C#N)=C(O)C=Cc3ccc([N+](=O)[O-])cc3)n2)c(OCC)c1 2331389171 ZVYBHNFMMANGEO-UHFFFAOYSA-N 463.515 6.022 50 10 JKGE Cc1ccccc1COc1ccc(C=C(C#N)c2nc(-c3ccc4ccccc4c3)cs2)cc1 2331416475 FPQGCQSOZKQFCR-UHFFFAOYSA-N 458.586 7.915 50 10 JKGE CCCCCOc1ccc(C=C(C#N)c2nc(-c3cc(Cl)c(OC)c(Cl)c3)cs2)cc1 2331480517 ZFTWEFLEQPCYQZ-UHFFFAOYSA-N 473.425 7.759 50 10 JKGE COc1ccc(Cl)cc1-c1csc(C(C#N)=Cc2ccc(OCc3ccccc3C)cc2)n1 2331491871 STIHVIBOGTYRNH-UHFFFAOYSA-N 472.997 7.424 50 10 JKGE Brc1cc(OCc2ccccc2)ccc1[C@@H](Br)[C@@H]1C[C@H]1c1ccccc1 2336042553 AIQFUXZXJAHXCI-QZNHQXDQSA-N 472.220 7.268 50 10 JKGE Cc1nc(Br)c([C@H](Cl)c2cc(Br)c(Br)cc2F)n1C 2337321958 QCMCUSGFNOAXKX-SNVBAGLBSA-N 475.381 5.483 50 10 JKGE COc1c(Br)cc(C)c([C@H](Br)C[C@H]2CCCO2)c1Br 2339650314 DWXDLWWPTMOEJO-NXEZZACHSA-N 457.000 5.534 50 10 JKGE COc1ccc([C@H](Cl)c2ccc(Cl)cc2I)cc1Br 2340063934 NABGOJRFPREMHC-AWEZNQCLSA-N 471.947 6.044 50 10 JKGE Fc1ccc([C@@H](Br)CCc2ccc(Cl)cc2I)cc1 2341033510 XGTSFLMTXHIFCD-AWEZNQCLSA-N 453.520 6.153 50 10 JKGE C[C@@](CBr)(Cc1ccc(Cl)cc1I)C1CCCCC1 2341045746 CKBOBCKOGWXBKU-INIZCTEOSA-N 455.605 6.469 50 10 JKGE CC1(C)CC(CBr)(COCc2cc(Br)cc(Br)c2)C1 2344971754 OQVAAEQANRARAS-UHFFFAOYSA-N 455.028 5.930 50 10 JKGE BrC[C@@]1(Cc2ccc(I)c(Br)c2)CC12CCCCC2 2349839872 KIIVWYSCGNFNJX-MRXNPFEDSA-N 498.040 6.332 50 10 JKGE CC1(C)C[C@@](C)(CCl)CN1Cc1ccc(I)c(Br)c1 2349853129 HNUQDSOCBODEQY-HNNXBMFYSA-N 456.593 5.283 50 10 JKGE Cc1cc(Br)ccc1[C@@H](Cl)c1c(F)cc(Cl)c(Br)c1Cl 2360429873 SWCUEHKKNJSEOA-CYBMUJFWSA-N 461.383 7.294 50 10 JKGE CCc1ccc([C@H](Br)c2c(C)cc(Br)c(OC)c2Br)o1 2365188451 LHOUQWGXORMPPS-ZDUSSCGKSA-N 466.995 6.168 50 10 JKGE COc1c(Br)cc(C)c([C@H](Br)[C@H](C)CC(F)(F)F)c1Br 2365188741 NXBUBEDLUMNAGM-GMSGAONNSA-N 482.960 6.553 50 10 JKGE Cc1cc(Br)c(F)c(Br)c1[C@H](Br)C(C)(C)C1CCCC1 2365220466 NLZLPFZOVKJXRJ-HNNXBMFYSA-N 471.046 7.312 50 10 JKGE Fc1cc(Cl)c([C@H](Br)c2cc(Br)c(Cl)cc2F)c(Cl)c1 2366409034 PPBXYBYIGZWILF-CYBMUJFWSA-N 465.346 7.172 50 10 JKGE C[C@@H]1C[C@H]2C[C@]([C@H](Br)c3c(F)cc(Br)c(F)c3Br)(C2)O1 2368522023 XGVMSMOKEMXLIR-CHFCKMNRSA-N 474.965 5.883 50 10 JKGE CC(C)(C)OC(=O)N[C@]12CCC(F)(F)C[C@H]1CN(C[C@@H](CBr)C(C)(C)C)C2 2370149096 LZOOHJNKTWCYBQ-KHYOSLBOSA-N 453.412 5.058 50 10 JKGE C[C@@H](Cl)CN(CCC(C)(C)C)Cc1ccc(I)c(Br)c1 2377315789 KFCDJPAUQDDPDI-GFCCVEGCSA-N 472.636 5.919 50 10 JKGE COc1cccc(C[C@@H]2S/C(=C(\C#N)C(=O)Nc3ccc(C)cc3)N(c3ccc(C)cc3)C2=O)c1 2264484 XYHFKKGQIDSLSC-CHTIKVTKSA-N 483.593 5.377 50 10 JKGE O=C(N/N=C/c1ccc(-c2ccc(Cl)c(Cl)c2)o1)[C@@H]1COc2cc3ccccc3cc2O1 2869629 AVCALQNBCMNKPS-AIZXLIHESA-N 467.308 5.697 50 10 JKGE Cc1ccc2nc(N(/N=C/c3ccc([N+](=O)[O-])o3)C(=O)c3cc(Cl)sc3Cl)sc2c1 9628924 UZODPWLCPNCBSH-ODCIPOBUSA-N 481.342 6.155 50 10 JKGE CCCCCCOc1ccc(C(=O)NNC(=O)[C@H](CC)Oc2ccccc2[C@H](C)CC)cc1 10683843 YQVKACHMXHSXHW-YKSBVNFPSA-N 454.611 5.778 50 10 JKGE Cc1ccccc1N1C(=O)[C@@H](Cc2cccc(Cl)c2)S/C1=C(\C#N)C(=O)Nc1ccccc1 13512535 XYOMBIKESBHAPI-QPSWJSTDSA-N 473.985 5.713 50 10 JKGE O=C(CNc1cccc(Cl)c1)N/N=C\c1ccccc1OCc1ccc(Br)cc1 20494917 OQDUZNZAZBGCAY-ZMFRSBBQSA-N 472.770 5.244 50 10 JKGE N#C/C(=C/c1ccc(OC(=O)/C=C/c2ccc(Cl)cc2Cl)cc1)c1ccc(Cl)cc1 31901358 IJYJPRKXFLRPLE-OFZGEPSZSA-N 454.740 7.330 50 10 JKGE N#C/C(=C/c1c(OCc2ccc([N+](=O)[O-])cc2)ccc2ccccc12)C(=O)Nc1ccccc1Cl 33927765 DBMPPZAUYCAPCO-HKWRFOASSA-N 483.911 6.526 50 10 JKGE Cc1cccc(OCC(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@@H]3c2ccc(C(C)(C)C)cc2)c1 38649761 GOAXIKJBWDCEEE-HHHXNRCGSA-N 468.553 5.495 50 10 JKGE CC(C)(C)c1ccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)COc4ccccc4Cl)ccc32)cc1 38649768 DLZRGJBXSIDPLQ-AREMUKBSSA-N 488.971 5.840 50 10 JKGE COc1c(Cl)cc(C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@@H]3c2ccc(F)cc2)cc1Cl 38688061 KIXXUWCSFVMKDD-OAQYLSRUSA-N 485.298 5.578 50 10 JKGE N#C/C(=C\c1ccc(-c2cc(Cl)ccc2Cl)o1)C(=O)Nc1ccc(OC(F)(F)F)cc1 39884767 CSGQXEJOBHVEHS-FMIVXFBMSA-N 467.230 6.698 50 10 JKGE O=C(NNc1ncnc(Nc2ccc(C(F)(F)F)cc2)c1[N+](=O)[O-])c1cccc2ccccc12 40658745 JNWHRGJEAHVGLD-UHFFFAOYSA-N 468.395 5.057 50 10 JKGE Cc1ccccc1C(=O)N/N=C1\CCCc2oc(C(=O)Nc3cccc4cccnc34)c(C)c21 40811569 OCOSOBDHXFKCMD-TWKHWXDSSA-N 452.514 5.167 50 10 JKGE Cc1ccc(COc2ccc(/C=N/NC(=O)CCCOc3ccc(C)cc3Br)cc2)cc1 40951276 YJRLUGQMDMHQLU-OGLMXYFKSA-N 495.417 5.954 50 10 JKGE N#C/C(=C\c1cccc(OCc2ccc(Br)cc2)c1)C(=O)Nc1ccccc1Cl 59117250 MHUXLRVXWJCZCG-LDADJPATSA-N 467.750 6.227 50 10 JKGE N#C/C(=C\c1cc(Br)c(Sc2ccc(Cl)cc2)o1)c1ccc(Cl)cc1 96499080 SNMXRIOEXOEQIL-UKTHLTGXSA-N 451.172 7.564 50 10 JKGE CC[C@@H](C)N1C(=O)C(C#N)=C(C)/C(=C\c2cn(-c3ccccc3)nc2-c2ccc(OC(C)C)cc2)C1=O 101334262 GZPQOOOVWNMHHG-RHKYMZEHSA-N 494.595 5.717 50 10 JKGE COc1cc(/C=C(/C#N)c2nc(-c3cccc(Br)c3)cs2)cc([N+](=O)[O-])c1O 102585436 NVAKTOAPNOESSG-ACAGNQJTSA-N 458.293 5.259 50 10 JKGE ClCc1nc2cc(Br)ccc2n1-c1cc(Br)ccc1Br 110428336 JYAPSBBOZCZCLI-UHFFFAOYSA-N 479.397 6.052 50 10 JKGE Clc1cc(Cl)c(OCc2ccc(I)cc2)c(CBr)c1 115098491 BABHIIPOVZQAAM-UHFFFAOYSA-N 471.947 6.072 50 10 JKGE CCC(CC)(CBr)CNC(=O)c1cc(Br)sc1Br 230249591 MXEJHWVHONFIHZ-UHFFFAOYSA-N 462.045 5.204 50 10 JKGE CCC(CC)(CBr)CNC(=O)c1cc(Br)cc(Br)c1 230250860 YVOKJOXRXRYLCV-UHFFFAOYSA-N 456.016 5.143 50 10 JKGE COc1cccc(C[C@@H](Br)c2cc(Cl)ccc2I)c1 235003334 HPDQKYVGOTVIQV-CQSZACIVSA-N 451.529 5.632 50 10 JKGE O=C(N/N=C(\Cc1ccccc1)c1ccc(-c2ccccc2)cc1)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1 253575289 UKYWVQROPZRFGD-BYCLXTJYSA-N 480.480 5.547 50 10 JKGE Cc1ccc(COc2ccc(C=NNC(=O)COc3ccc(-c4ccccc4)cc3)cc2)cc1 254383255 AOCUCCVFLMGIMG-UHFFFAOYSA-N 450.538 5.770 50 10 JKGE CC[C@@H](C)c1ccc(OCCOc2cccc(C=NNC(=O)CSc3nnc(C)s3)c2)cc1 254705920 JGAMMCDALPTGOR-QGZVFWFLSA-N 484.647 5.060 50 10 JKGE CC(C)(C)[C@H]1C[C@H](P(c2ccccc2)c2ccccc2)[C@H](P(c2ccccc2)c2ccccc2)C1 260988715 QOTYJAZVQBAJTA-WHUZBUNDSA-N 494.599 7.446 50 10 JKGE BrCc1cc(Br)cc(Br)c1OC[C@H]1C[C@H]2CC[C@H]1C2 311672868 YTFXSUXFDSEHQC-JBLDHEPKSA-N 453.012 5.922 50 10 JKGE N#Cc1cc(Br)ccc1COc1cccc(CBr)c1Br 315479083 ZMXWBICKTMTMOM-UHFFFAOYSA-N 459.963 5.557 50 10 JKGE CCOc1ccc(Br)cc1[C@H](Br)c1cccc(OCc2ccccc2)c1 388465586 OAGCKLPYMMLOBF-JOCHJYFZSA-N 476.208 6.911 50 10 JKGE N#C/C(=C(\Cl)c1cc(Br)ccc1I)c1cccs1 394167110 ZLBKESWRVCEBKU-JLHYYAGUSA-N 450.526 5.746 50 10 JKGE O=C(CCCN(Cc1ccccc1)Cc1ccccc1)Nc1ccccc1-c1nc(CCl)cs1 394171562 UDMUKRXGTWUCHG-UHFFFAOYSA-N 490.072 6.970 50 10 JKGE CC(C)(C)OC(=O)NCCN1CCC[C@H](c2cccc(CCO[Si](C)(C)C(C)(C)C)c2)CC1 616626979 AMDUTTJYKOYZIE-QHCPKHFHSA-N 476.778 6.345 50 10 JKGE CCC(F)(F)C(C)(C)[C@@H](Br)c1cc(Br)sc1Br 691570273 LBAKPVLNUGGUDD-QMMMGPOBSA-N 455.000 6.781 50 10 JKGE Clc1ccc([C@@H](Br)c2scc(Br)c2Br)s1 705407245 AJHLPQLBZPQUFP-MRVPVSSYSA-N 451.430 6.472 50 10 JKGE O=C(Nc1cccc(CCCBr)c1)c1scc(Br)c1Br 705417693 HOYBCDWKVDPYPG-UHFFFAOYSA-N 482.035 5.853 50 10 JKGE Cc1ccc(C)c(-n2c(C)c(Br)c(C=NNC(=O)CSCc3ccccc3C)c2C)c1 725387114 LDSGIIIFXOHFEK-UHFFFAOYSA-N 498.490 6.165 50 10 JKGE CCOc1ccc([C@H](O)CCC(=O)NN=Cc2cc(C)n(-c3ccc(F)c(Cl)c3)c2C)cc1 725418260 NOXZWQLHRHDYOO-XMMPIXPASA-N 471.960 5.249 50 10 JKGE CCOc1cc(/C=C(\C#N)C(=O)N(C)C)cc(Cl)c1OCc1ccc(Cl)c(Cl)c1 1083938438 LXZXSYJLVQOBDE-VIZOYTHASA-N 453.753 5.620 50 10 JKGE COc1cc(/C=C(/C#N)C(=O)Nc2cc(Cl)ccc2C)ccc1OCc1ccc(Cl)cc1 1084431527 NOICITZQJXPPQS-ODLFYWEKSA-N 467.352 6.435 50 10 JKGE COc1ccc(/C=C(/C#N)C(=O)Nc2ccccc2)cc1OCc1c(Cl)cccc1Cl 1084528816 VJRNRQMKONBAAI-ATVHPVEESA-N 453.325 6.127 50 10 JKGE COc1ccc(C=NNC(=O)c2ccc(NC(=O)Nc3cccc(C(F)(F)F)c3)cc2)cc1 1088706282 KPJNFGOWWXCBFM-UHFFFAOYSA-N 456.424 5.122 50 10 JKGE O=C(COc1ccc(Br)cc1)NN=Cc1ccc(OCc2ccccc2Cl)cc1 1772754401 GVIUKBSZYPZXFU-UHFFFAOYSA-N 473.754 5.211 50 10 JKGE N#CC1=C(N)Oc2c(c(-c3ccccc3)nn2-c2ccc(Cl)cc2)[C@H]1c1c(F)cccc1Cl 1865682747 WVDJSSBRSJTNBA-HXUWFJFHSA-N 477.326 6.203 50 10 JKGE COc1ccc(-c2nn(-c3ccccc3Cl)c3c2[C@@H](c2ccccc2Cl)C(C#N)=C(N)O3)cc1 1865685917 OYUBNOYLHPBIBW-QFIPXVFZSA-N 489.362 6.073 50 10 JKGE COc1ccc2ccccc2c1[C@H]1C(C#N)=C(N)Oc2c1c(C(F)(F)F)nn2Cc1ccc(F)cc1 1865688267 OCJKTPJSHNFKMW-OAQYLSRUSA-N 494.448 5.469 50 10 JKGE CCc1nn(-c2ccc(C)cc2)c2c1[C@@H](c1ccc(OCc3ccc(C)cc3)cc1)C(C#N)=C(N)O2 1865693268 MPVUJJYVVLGEAQ-MHZLTWQESA-N 476.580 5.849 50 10 JKGE N#CC1=C(N)Oc2c(c(-c3ccccc3)nn2-c2ccccc2Cl)[C@H]1c1ccc2c(c1)OCCO2 1865698585 XYPXHEDSUWXZBP-QHCPKHFHSA-N 482.927 5.182 50 10 JKGE CCCc1nn(-c2ccc(Br)cc2)c2c1[C@@H](c1ccc(CC)cc1)C(C#N)=C(N)O2 1865709140 OYPAVYNNOBQRMO-NRFANRHFSA-N 463.379 5.368 50 10 JKGE Cc1nn(Cc2ccc(Cl)c(Cl)c2)c2c1[C@@H](c1ccc(C(F)(F)F)cc1)C(C#N)=C(N)O2 1865710966 MPKPJURLGZUYSN-IBGZPJMESA-N 479.289 5.784 50 10 JKGE COC(=O)c1ccc(/C=C/C(O)=C(\C#N)c2nc(-c3ccc(Cl)c(Cl)c3)cs2)cc1 1872749086 AQSCYPSZCPAIJT-ZFOIALEISA-N 457.338 6.410 50 10 JKGE COc1ccc(OC/C(O)=C(\C#N)c2nc(-c3ccc(C(C)(C)C)cc3)cs2)c(C(C)(C)C)c1 1872750553 HAHPGBCAROXZMT-FLFQWRMESA-N 476.642 7.285 50 10 JKGE N#C/C(=C(/O)c1ccc(N2COc3ccc4ccccc4c3C2)cc1)c1nc(-c2cccs2)cs1 1872750686 OECVHXKVZPOWFH-QYQHSDTDSA-N 493.613 7.331 50 10 JKGE N#C/C(=C(/O)Cc1ccccc1[N+](=O)[O-])c1nc(-c2ccc(Oc3ccccc3)cc2)cs1 1872753926 UZNGLOVORIMRJO-FLFQWRMESA-N 455.495 6.546 50 10 JKGE COc1c(Cl)cc(-c2csc(/C(C#N)=C(\O)c3cc4ccccc4oc3=O)n2)cc1Cl 1872755735 CLMBYTBBHFXGFL-RGEXLXHISA-N 471.321 6.182 50 10 JKGE Cc1nscc1[C@@H](Br)c1cc(Br)ccc1OCc1ccccc1 1899866504 XCLROMWENFQFOO-SFHVURJKSA-N 453.199 6.277 50 10 JKGE CC[C@@H](Br)CN(Cc1ccccc1)C(=O)c1csc(I)c1 1915116090 QELYJWLHMDBFIQ-CQSZACIVSA-N 478.193 5.169 50 10 JKGE CC[C@@H](Br)CN(Cc1ccccc1)Cc1cc(Cl)ccc1I 1915132087 DDAQZDDZBYXUPN-MRXNPFEDSA-N 492.626 6.120 50 10 JKGE Cc1c(Br)sc([C@H](Cl)Cc2ccccc2Br)c1Br 1922883032 NWMUBOKXTCCZIZ-SNVBAGLBSA-N 473.455 6.867 50 10 JKGE FC(F)(F)C(F)(F)[C@H](Br)c1sc(Br)cc1Br 1922929078 FVYIRXHZTKJJFG-RXMQYKEDSA-N 452.862 5.907 50 10 JKGE Cc1c(Br)cccc1[C@H](Cl)c1sc(Br)c(C)c1Br 1922941258 NVNIMUVRTLQOQC-NSHDSACASA-N 473.455 6.981 50 10 JKGE Cc1c(Br)sc([C@H](Cl)c2cc(Cl)cc(Br)c2)c1Br 1922945288 DZSIQPLYLDOUEX-SNVBAGLBSA-N 493.873 7.326 50 10 JKGE FC1(F)[C@@H]([C@@H](Cl)c2c(Br)sc(Br)c2Br)C12CCCC2 1924569249 SAVQGTHTMIJLCD-YUMQZZPRSA-N 499.440 7.141 50 10 JKGE Brc1ccc(Br)c([C@H](Br)c2sncc2Br)c1 1936358826 YYDWHZBJCQOBLA-VIFPVBQESA-N 490.840 5.915 50 10 JKGE CCc1sc(Br)cc1[C@@H](Br)c1cccc(OCc2ccccc2)c1 1943031310 UIIMBPRWUZECAH-FQEVSTJZSA-N 466.238 7.136 50 10 JKGE Cc1cc([C@H](Br)c2sc(C)c(Br)c2C)c(Br)s1 1951016792 UBDQRIOCFLRVRB-JTQLQIEISA-N 459.066 6.744 50 10 JKGE Brc1ccc([C@@H](Br)c2nscc2Br)c(Br)c1 1994123423 YXDRLZPBGPLSKE-SECBINFHSA-N 490.840 5.915 50 10 JKGE C[C@@](CBr)(OCCOCCOCc1ccccc1)c1ccccc1Br 2056733137 AOUNLBRFANPNSD-FQEVSTJZSA-N 472.217 5.309 50 10 JKGE C[C@H]1CCc2nn(Cc3ccc(C(F)(F)F)cc3Br)c(CBr)c21 2080641377 AVCPFCNYASSADV-VIFPVBQESA-N 452.112 5.657 50 10 JKGE Cc1cc(Cl)ccc1[C@@H](Br)c1ccc(Br)cc1Br 2083339016 PBRWWGRKUWGGAH-CQSZACIVSA-N 453.399 6.658 50 10 JKGE Fc1ccc(Br)cc1[C@H](Br)c1cc(Br)c(Cl)cc1F 2097833108 ACTZEYNABCPWLT-ZDUSSCGKSA-N 475.352 6.628 50 10 JKGE Brc1cccc(Br)c1C[C@@H](Br)CN1CCCCCC1 2099445375 XRMZMEHGLFUBLV-GFCCVEGCSA-N 454.044 5.394 50 10 JKGE CC(C)n1ncc(Br)c1C[C@H](Br)c1cccc(Br)c1 2113489624 RGKNYHDWRCHWMY-LBPRGKRZSA-N 451.000 5.668 50 10 JKGE Cc1c(Br)ccc([C@H](Br)C2CC3(C2)CC3(C)C)c1Br 2138850091 GMRMFNBFLNHITK-XHYCCTMSSA-N 451.040 6.782 50 10 JKGE Cc1cc(F)c(F)cc1[C@@H](Br)c1cc(Br)cc(Br)c1 2139638267 MUFANKXZQYMJTC-AWEZNQCLSA-N 454.934 6.283 50 10 JKGE CCCc1nc(Br)c(Br)n1CC(CBr)(CCC)CCC 2143939715 HRNXTNMHLSPAMK-UHFFFAOYSA-N 473.091 6.342 50 10 JKGE C[C@H](CBr)[C@@H]1CCCCN1C(=O)c1c(Br)cccc1Br 2150495794 YYHZMDVFUFQQPJ-MFKMUULPSA-N 468.027 5.237 50 10 JKGE CCC(CC)(CBr)CN1CC[C@H](C(F)(F)F)[C@@H](CNC(=O)OC(C)(C)C)C1 2163058920 OWMUXFPMFWTHDU-GJZGRUSLSA-N 459.391 5.213 50 10 JKGE Clc1sc([C@H](Cl)c2ccc(Br)c3ccccc23)cc1Br 2172570617 YVNLNXBRWDLTEU-CQSZACIVSA-N 451.010 7.408 50 10 JKGE C[C@@H]1CCCC[C@]12[C@@H](Br)C[C@H]2Oc1c(Br)cccc1Br 2173629304 MUVMNVITTKWPFT-FDKDBAQKSA-N 467.039 6.323 50 10 JKGE CC1(C)CCC[C@H](CO[C@H](CI)c2cccc(Br)c2)O1 2185557696 YUMFUDGAWKHCHL-HUUCEWRRSA-N 453.158 5.290 50 10 JKGE C[C@H]1OC2(CC(CBr)(CBr)c3ccc(Br)cc3)CC1C2 2188986832 RSOPPXUZTZHQMT-OPGSHWCFSA-N 467.039 5.434 50 10 JKGE COc1c(Cl)cc(Br)cc1[C@H](Br)Cc1ccccc1Br 2203004734 WGZUYSKOEVFONU-CYBMUJFWSA-N 483.425 6.552 50 10 JKGE Brc1ccc([C@H](Br)[C@@H]2C[C@H]3CCCCCC[C@H]32)c(Br)c1 2203681904 FDSLPCXADPGBGB-MDRZDLKXSA-N 465.067 7.254 50 10 JKGE Clc1ccc(C[C@@H](CBr)Cc2ccc(I)c(Cl)c2)cc1 2208046685 WUZQEYQASVPUDZ-CYBMUJFWSA-N 484.002 6.394 50 10 JKGE Brc1sc([C@H]2CCCCC[C@@H]2Br)c(Br)c1Br 2212188954 GPFULUWGKCOSSG-BQBZGAKWSA-N 495.900 6.847 50 10 JKGE Cc1cc(Br)c([C@H](Cl)c2c(C)nsc2Br)c(C)c1Br 2227350495 XDMWKACCSOLTSC-LBPRGKRZSA-N 488.470 6.684 50 10 JKGE Cc1cccc([C@@H](Br)Cc2cc(Cl)cc(Cl)c2)c1I 2232146887 VGHYXZDAPGGUKX-AWEZNQCLSA-N 469.975 6.585 50 10 JKGE Cn1nc([C@@H](Cl)c2c(Br)cc(Cl)c(Cl)c2Cl)c(Cl)c1Cl 2232518753 FZZAWSPDAMNFNX-QMMMGPOBSA-N 457.797 6.778 50 10 JKGE Fc1cc(Br)c(Br)cc1[C@@H](Br)C(F)(F)C1CCOCC1 2233974133 DCTCJQVNYXHLSP-GFCCVEGCSA-N 480.944 5.849 50 10 JKGE Cc1cc(C)c([C@@H](Br)Cc2cc(Br)cc(Br)c2)s1 2263450488 MMSMQYPOGXVPLU-ZDUSSCGKSA-N 453.037 6.569 50 10 JKGE COc1c(Br)cc(Cl)cc1[C@H](Cl)c1cscc1OCc1ccccc1 2263546824 ZDSSRZBBFXIBBI-SFHVURJKSA-N 458.204 7.080 50 10 JKGE Cc1c(Br)sc([C@@H](Br)[C@@]23CC[C@@](CF)(C2)OC3)c1Br 2274671894 VAKDPXLUEVPSDJ-WXHSDQCUSA-N 477.031 5.926 50 10 JKGE CS(=O)(=O)c1cscc1[C@H](Br)c1cc(C2CC2)c(Br)s1 2288500839 LOJMFUFQBQDXOE-LBPRGKRZSA-N 456.246 5.337 50 10 JKGE CC(C=NNC(=O)CSc1nnc(SCc2cccc3ccccc23)s1)=Cc1ccccc1 2293727239 CZKVVTMXTJZXQI-UHFFFAOYSA-N 490.679 6.281 50 10 JKGE Cc1cc(-n2c(C)cc(C=C(C#N)c3ccc(Cl)cc3)c2C)ccc1I 2294253470 XUFJXQRKLSFKCB-UHFFFAOYSA-N 472.757 6.725 50 10 JKGE COc1c(Br)cc([C@H](Br)c2csc(Br)c2)c(OC)c1C 2295429345 ZILLFASILIKJNQ-GFCCVEGCSA-N 485.035 6.083 50 10 JKGE CCOC(=O)c1c(-c2ccc(Cl)cc2)csc1NC(=O)C(C#N)=Cc1ccc(OC)c(OC)c1 2296500394 OTBFDAGKBFEHHR-UHFFFAOYSA-N 496.972 5.808 50 10 JKGE COc1cc(C=C(C#N)c2nc3ccccc3[nH]2)ccc1OCC(=O)Nc1ccccc1C(C)C 2297369413 HQOJPEQZHHGUCC-UHFFFAOYSA-N 466.541 5.777 50 10 JKGE FC1(F)CC[C@H]1C[C@H](Br)c1c(Br)sc(Br)c1Cl 2299036104 VAIYAYAEFGQQSQ-WHFBIAKZSA-N 473.402 6.798 50 10 JKGE C[C@@]1([C@H](Br)c2ccc(OCc3ccccc3)cc2Br)CCCOC1 2299499213 YAYAIKHDTFLABC-WOJBJXKFSA-N 454.202 6.281 50 10 JKGE CCC(CC)(CC)[C@@H](Br)c1ccc(OCc2ccccc2)cc1Br 2299499800 ZZVYWAFUOLAXTD-FQEVSTJZSA-N 454.246 7.681 50 10 JKGE Cc1cc(Br)c([C@H](Cl)c2ccc(Cl)cc2I)s1 2301796106 YSUXWWZSRAHWIA-LLVKDONJSA-N 461.977 6.405 50 10 JKGE Cc1ccc(Cl)cc1-n1c(C)cc(C=C(C#N)C(=O)Nc2cccc(Cl)c2Cl)c1C 2313571052 MEPYFPXCHPUXDQ-UHFFFAOYSA-N 458.776 6.908 50 10 JKGE CCOc1cc(C=C(C#N)C(=O)Nc2cccc3ccccc23)ccc1OCc1ccc(Cl)cc1 2313730245 KBMPAHIVVYIRMV-UHFFFAOYSA-N 482.967 7.017 50 10 JKGE FC(F)([C@@H]1CCOC1)[C@H](Br)c1ccc(OCc2ccccc2)cc1Br 2314443880 JAKYXNZMFILDHB-RDTXWAMCSA-N 476.155 6.136 50 10 JKGE Cc1ccc(NC(=O)C(C#N)=Cc2ccc(-c3ccc([N+](=O)[O-])cc3Cl)o2)c([N+](=O)[O-])c1 2314571634 JBTYIMBCWVPJDF-UHFFFAOYSA-N 452.810 5.271 50 10 JKGE CCOc1cc(C=C2C(=O)N([C@H](C)CC)C(=O)C(C#N)=C2C)ccc1OCc1ccc(F)cc1 2314610409 HVHDGUBVDQZCCB-QGZVFWFLSA-N 462.521 5.194 50 10 JKGE CC1=C(C#N)C(=O)N(Cc2cccnc2)C(=O)C1=Cc1cn(-c2ccccc2)nc1-c1cc(C)ccc1C 2314618498 OOYPRQUIZCAUNX-UHFFFAOYSA-N 499.574 5.344 50 10 JKGE Cc1cc(Br)c([C@H](Br)c2cnsc2Br)c(C)c1F 2315639214 BFBQLYMBAIZYEP-SNVBAGLBSA-N 457.988 5.908 50 10 JKGE CCc1nn(C)c([C@H](Br)c2sc(Cl)cc2I)c1Cl 2316600169 BKACYIHCVOWJBV-QMMMGPOBSA-N 479.996 5.440 50 10 JKGE N#CC(C(=O)Cn1cnc2scc(-c3ccc4c(c3)CCCC4)c2c1=O)=C1Nc2ccccc2S1 2320729560 MBOMQYZVSCEPCE-UHFFFAOYSA-N 496.617 5.526 50 10 JKGE Cc1ccc(C(=O)CCC(=O)NN=Cc2c(C(C)C)nc3c(Cl)cc(C(F)(F)F)cn23)c(C)c1 2321253285 OMXDUNWCHGMHLN-UHFFFAOYSA-N 492.929 5.860 50 10 JKGE CC(C)COc1c(Cl)cc(C=NNC(=O)C23CC4C[C@](C)(C2)C[C@@](C)(C4)C3)cc1Cl 2323144635 YJMLFEAYVJHGMT-MDQWUCQQSA-N 451.438 6.475 50 10 JKGE N#CC(=CNc1ccc(Cl)c(C(F)(F)F)c1)C(=O)Nc1ccc(Oc2ccccc2)cc1 2325129977 UXPJFUQWZIZHGZ-UHFFFAOYSA-N 457.839 6.609 50 10 JKGE Clc1ccc(I)cc1CO[C@H]1CCCCC[C@H]1I 2327242478 RIOXOIDGXHRPDH-KGLIPLIRSA-N 490.550 5.598 50 10 JKGE CCCCCCCCCOc1ccc(C=NNC(=O)[C@H](C)NC(=O)OC(C)(C)C)cc1OC 2328818666 FLGQQTYLWCJBSU-IBGZPJMESA-N 463.619 5.188 50 10 JKGE COC(=O)c1c(NC(=O)C(C#N)=Cc2ccc(Cl)cc2)sc(C)c1-c1ccc(C)cc1 2329655734 OVDLARRRVIJGLH-UHFFFAOYSA-N 450.947 6.018 50 10 JKGE N#CC(=Cc1ccc(Br)cc1)C(=O)Nc1ccc(OCc2ccc(Cl)cc2)cc1 2329662079 FOJXVPGHJLAIPG-UHFFFAOYSA-N 467.750 6.227 50 10 JKGE COc1cc(C=C(C#N)c2nc(-c3cccc4ccccc34)cs2)ccc1OCCc1ccccc1 2331456460 PCNBGSNZCCTATH-UHFFFAOYSA-N 488.612 7.658 50 10 JKGE CCCCCOc1ccc(C=C(C#N)c2nc(-c3ccc(Oc4ccccc4)cc3)cs2)cc1OC 2331464609 XHOMHSRLRLMQHT-UHFFFAOYSA-N 496.632 8.244 50 10 JKGE COC(=O)c1c(NC(=O)[C@@H](C)Oc2ccc(Cl)cc2Br)sc(C(C)=CC#N)c1C 2331560580 YPJVJVZZCYPIRM-GFCCVEGCSA-N 497.798 5.592 50 10 JKGE Cc1cc(Cl)c(Cl)cc1[C@@H](Cl)c1cc(Br)ccc1OCc1ccccc1 2336044017 KGMDHIDXQPNRJW-OAQYLSRUSA-N 470.621 7.972 50 10 JKGE Cc1cc(I)c(Oc2ccc(Cl)cc2CBr)cc1Cl 2336551357 OGBVCVZZPKMBBU-UHFFFAOYSA-N 471.947 6.594 50 10 JKGE Fc1c(Br)cc(Cl)c([C@H](Br)[C@@H]2CCC[C@H]3C[C@H]32)c1Br 2337082531 MXQCHWLWONHYDL-HIHLCYOISA-N 475.421 6.876 50 10 JKGE Fc1c(Br)cc(Cl)c([C@@H](Br)Cc2ccccc2)c1Br 2337091485 BBDAMGYVNKYAFL-VIFPVBQESA-N 471.389 6.683 50 10 JKGE COc1c(Br)cc(C)c([C@H](Br)C[C@@H]2CC2(C)C)c1Br 2339640482 ZBECKKLIPMAMJJ-NXEZZACHSA-N 455.028 6.401 50 10 JKGE Cc1cc(Br)c(F)c(Br)c1[C@@H](Br)[C@@H]1C[C@H]1C1CCC1 2339683917 IOZOPXBIIJZMQD-CWSCBRNRSA-N 455.003 6.531 50 10 JKGE COc1c(Br)cc(C)c([C@H](Br)[C@@H]2CO[C@H](C)C2)c1Br 2339689196 NGIAXDIXDHTMCU-VDDIYKPWSA-N 457.000 5.390 50 10 JKGE Cc1cc(Br)c([C@@H](Br)[C@]23C[C@H](C[C@@H](C)O2)C3)cc1Br 2342805338 LXXJORYOPAMPIP-IDMWTJEOSA-N 453.012 5.914 50 10 JKGE Cc1cc(Br)c([C@@H](Br)c2csc(C)c2Br)c(C)c1Cl 2343566146 HAORTVQVQKESOR-ZDUSSCGKSA-N 487.482 7.336 50 10 JKGE FC1(F)CC[C@@H](Cc2ccc(I)c(Br)c2)[C@H](Cl)CC1 2349777692 CYFPJDCKJJACJY-CMPLNLGQSA-N 463.531 6.029 50 10 JKGE ClCc1ccc(OCc2ccc(I)c(Br)c2)c(Cl)c1 2349803177 JLVCRTJDFMCOCO-UHFFFAOYSA-N 471.947 6.025 50 10 JKGE Brc1cc(CN2C[C@H]3CC(Br)C[C@@H](C3)C2)ccc1I 2349825921 FLHBEPULLIQZEB-VXGBXAGGSA-N 499.028 5.049 50 10 JKGE Fc1c(Br)cc(Cl)c([C@H](Br)[C@@H]2CCCC23CCC3)c1Br 2362235743 NGSUIQWQBYINLP-QPUJVOFHSA-N 489.448 7.411 50 10 JKGE C[C@@H](C[C@@H](Br)c1c(Cl)cc(Br)c(F)c1Br)CC(C)(C)C 2362254120 LEEXXRNFDXKVIB-DTWKUNHWSA-N 493.480 7.903 50 10 JKGE COc1c(Br)cc(C)cc1[C@H](Br)c1c(Br)nc(C)n1C 2362443031 UYMSTEUFTPUEBE-NSHDSACASA-N 466.999 5.055 50 10 JKGE COc1c(Br)cc([C@@H](Br)c2cnsc2Br)c(OC)c1C 2362499960 AUDQAZHDNCPZTK-SNVBAGLBSA-N 486.023 5.478 50 10 JKGE Cc1cc(Br)c(F)c(Br)c1[C@H](Br)c1c(F)cccc1F 2365177961 GCDZVDRTBZTYNE-LBPRGKRZSA-N 472.924 6.422 50 10 JKGE COc1c(Br)cc(C)c([C@H](Br)C[C@@H]2CC[C@H]3C[C@@H]23)c1Br 2365238235 XCPRQIAJHNYOQV-NNYUYHANSA-N 467.039 6.401 50 10 JKGE CCc1cc(Br)c(OC)c([C@@H](Br)c2cnn(C)c2Br)c1 2381256137 MUJBKHBLFGMITP-GFCCVEGCSA-N 466.999 5.000 50 10 JKGE Cc1ccc(/C=N/N(C(=O)c2cccc(N3C(=O)CCC3=O)c2)c2nc3ccc(F)cc3s2)cc1 9148932 RNNQAHBYPUIRMV-RWPZCVJISA-N 486.528 5.078 50 10 JKGE Cc1cc([C@H]2C(C#N)=C(N)N(c3ccccc3Cl)C3=C2C(=O)C[C@H](c2ccccc2)C3)c(C)s1 9981950 RQHDIHDEIMWWRF-BCHFMIIMSA-N 486.040 6.717 50 10 JKGE CC[C@H](Oc1ccc(-c2ccccc2)cc1)C(=O)NNC(=O)COc1ccc(Cl)cc1Cl 14768448 LYBZUCDMUATFLC-NRFANRHFSA-N 473.356 5.044 50 10 JKGE COc1cc(/C=C(/C#N)c2nc3ccccc3[nH]2)cc(Br)c1OC(=O)c1cccs1 33462023 BHOHQOCEVRHCBX-ZROIWOOFSA-N 480.343 5.679 50 10 JKGE Cc1ccc(NC(=O)/C(C#N)=C2/S[C@@H](Cc3ccccc3)C(=O)N2c2ccc(C)cc2)cc1 33498869 SMEQWGHPQWTGQW-BSSRNLCFSA-N 453.567 5.368 50 10 JKGE Cc1cc(Oc2nc3c(C)cccn3c(=O)c2/C=C(\C#N)c2nc3ccccc3n2C)ccc1Cl 33584201 BXXAYKBGGKVZEA-NBVRZTHBSA-N 481.943 5.708 50 10 JKGE Cc1cc([N+](=O)[O-])ccc1NC(=O)/C(C#N)=C\c1ccccc1OC(=O)c1cccc2ccccc12 33783900 OGVLYSGDSHCBGM-PGMHBOJBSA-N 477.476 5.821 50 10 JKGE Cc1ccc(C(=O)NNC(=O)c2ccc3nc(-c4ccccc4)c(-c4ccccc4)nc3c2)cc1 33809151 ANEXJFHZLZVVBO-UHFFFAOYSA-N 458.521 5.347 50 10 JKGE N#C/C(=C\c1cn(-c2ccccc2)nc1-c1cccc2ccccc12)c1nc(-c2ccccc2)cs1 35519253 ZDRBWCORTJXMQL-HKOYGPOVSA-N 480.596 7.880 50 10 JKGE Cn1c(/C(C#N)=C/c2c(Oc3ccc(Cl)cc3)nc3ccccn3c2=O)nc2ccccc21 35549702 MQXUVGHMMSIIGP-JQIJEIRASA-N 453.889 5.091 50 10 JKGE CC(C)c1ccc(O[C@H](C)C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@H]3c2cccc(F)c2)cc1 38678328 JHIFBFRLVAWOQO-QUGAMOGWSA-N 472.516 5.540 50 10 JKGE CSc1ccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)[C@@H](C)Oc4ccc(F)cc4)ccc32)cc1 38682444 BADFMPCTMPTMTA-MYYSRTQBSA-N 476.529 5.139 50 10 JKGE CCCCC1CCC(C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@@H]3c2ccc(Cl)c(Cl)c2)CC1 38688344 UMYYFNWXFXAQLK-WFUJHSFVSA-N 499.438 7.114 50 10 JKGE COc1cc(/C=C(\C#N)c2ccc(Cl)cc2)ccc1OC(=O)CCN1C(=O)c2ccccc2C1=O 40851028 WDENSALMIPQMGV-XMHGGMMESA-N 486.911 5.004 50 10 JKGE COc1cccc(/C=C(/C#N)C(=O)Nc2ccc(C)cc2)c1OCc1ccc(Cl)c(Cl)c1 59117693 GDXQOHMXBQMUTR-UYRXBGFRSA-N 467.352 6.435 50 10 JKGE C=CCc1cc(/C=N/NC(=O)c2cc3ccccc3o2)ccc1OCc1ccc(C(=O)O)cc1 59304936 YSVUGDYGVXSUAM-LQKURTRISA-N 454.482 5.202 50 10 JKGE Fc1cc(F)c([C@H](Br)c2cc(Br)sc2Br)c(F)c1 114846956 DBAYPMYZJUHPQX-SNVBAGLBSA-N 464.926 6.175 50 10 JKGE CCCCCCCCCCC[C@H](Br)c1cc(Br)sc1Br 115861144 RATMZNQRACEBOP-AWEZNQCLSA-N 489.155 8.630 50 10 JKGE COc1ccc([C@H](Br)c2csc(I)c2)c(Br)c1 123465423 KSYQDPVQJAXOSD-GFCCVEGCSA-N 487.982 5.608 50 10 JKGE Cl[C@H](c1csc(I)c1)c1cc(Br)c(Br)s1 128114495 JMZFDLDWZNVJMB-MRVPVSSYSA-N 498.430 6.267 50 10 JKGE Clc1cccc(Cl)c1[C@H](Br)c1cc(Br)c(Br)s1 128189377 BOITUFSPDXBIGH-SNVBAGLBSA-N 479.846 7.064 50 10 JKGE Brc1cc([C@@H](Br)c2cc3sccc3s2)sc1Br 156482203 QCFUPMOYNHASHD-SNVBAGLBSA-N 473.074 7.034 50 10 JKGE FC(F)(F)c1ccc(Br)c([C@@H](Br)c2cc(Cl)ccc2Cl)c1 159841338 LJCAVUGYUXESIY-CYBMUJFWSA-N 462.918 7.259 50 10 JKGE Cc1cc(Br)ccc1[C@H](Br)c1csc2c(Br)cccc12 163512951 OWDZTLITTCKGOL-HNNXBMFYSA-N 475.043 7.219 50 10 JKGE Cc1ccc2[nH]c(C3CCN(C(=O)N[C@@H]4CC(C)(C)C[C@](C)(CN=C=O)C4)CC3)c(C)c2c1 170290683 QSKHYLHBZAODPF-JIPXPUAJSA-N 450.627 5.595 50 10 JKGE CCOc1cc(/C=C2\C(=O)N(Cc3ccco3)C(=O)C(C#N)=C2C)ccc1OCc1ccccc1 214319789 PZXXUTHJBVCEAA-UCQKPKSFSA-N 468.509 5.050 50 10 JKGE COc1ccc([C@@H](Br)c2ccc(Br)o2)c(OC)c1Br 224860976 YSRKIEGCCPHPGV-LLVKDONJSA-N 454.940 5.306 50 10 JKGE CCOc1ccc(C)cc1[C@@H](Br)c1ccc(I)c(Cl)c1 232343840 IFTMTPIIDUSNBT-INIZCTEOSA-N 465.556 6.136 50 10 JKGE 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 254351859 QICKSUTUHBCJRE-DUEBNJRMSA-N 470.694 6.716 50 10 JKGE COc1cc(C=NNC(=O)COc2ccc(-c3ccccc3)cc2)ccc1OC(=O)c1cccs1 254391723 SUDDOQNPUIHOSS-UHFFFAOYSA-N 486.549 5.172 50 10 JKGE CC(=NNC(=O)c1ccc(Cl)cc1Cl)c1ccc(NC(=O)c2ccc(Cl)cc2Cl)cc1 254825083 ZZDCZLDWZDDOJZ-UHFFFAOYSA-N 495.193 6.707 50 10 JKGE CC1(C)[C@H](c2nc3ccccc3[nH]2)CC[C@@]1(C)C(=O)NN=Cc1ccc(Br)cc1 254825527 KOYLXBQSRCOEFD-SBUREZEXSA-N 453.384 5.386 50 10 JKGE CC(=NNC(=O)CSc1nc2sc3c(c2c(=O)n1-c1ccccc1)CCCC3)c1cccs1 254846703 PSIJJXMVNXUMES-UHFFFAOYSA-N 494.667 5.020 50 10 JKGE Cc1cccc(C(=O)NN=Cc2cn(-c3ccccc3)nc2-c2ccc(OCc3ccccc3)cc2)c1 254861928 KOVZBCZVMBORTD-UHFFFAOYSA-N 486.575 6.191 50 10 JKGE BrCc1c(I)cc2ccsc2c1I 307106058 JIWWMNZXNPGPKD-UHFFFAOYSA-N 478.918 5.005 50 10 JKGE O=C(NC[C@H]1CCC[C@@H](CBr)C1)c1ccc(Br)cc1Br 312710265 SRXLTGGOUKLBSW-MNOVXSKESA-N 468.027 5.143 50 10 JKGE Cc1cc(Br)c([C@@H](Br)c2sccc2Br)cc1Cl 383538026 SSZVDBGDFKSHBM-LLVKDONJSA-N 459.428 6.719 50 10 JKGE ClCc1cc(Cl)cc(Cl)c1OCc1cc(Cl)ccc1I 405238548 ADFFOAUWKWDRPF-UHFFFAOYSA-N 461.941 6.569 50 10 JKGE CC(C)(C)[Si](C)(C)OCc1cccc([C@@H]2CN(S(=O)(=O)c3ccccc3)c3ccccc3N2)c1 616586130 ZWVGPUGDGKYGOZ-VWLOTQADSA-N 494.733 6.571 50 10 JKGE CC(C)(C)[Si](C)(C)OCc1ccccc1[C@H]1CN(S(=O)(=O)c2ccccc2)CCCO1 616661155 XIXBJOWDODAAQI-HSZRJFAPSA-N 461.700 5.361 50 10 JKGE C[C@H](CBr)[C@H]1CCCCN1C(=O)c1ccc(Br)cc1Br 696714112 RGGUFVXBHBJSSL-QMTHXVAHSA-N 468.027 5.237 50 10 JKGE C[C@H]1CN(Cc2ccccc2)C[C@H]1Cn1c(CCl)nc2cc(F)c(Br)cc21 708573951 LPTMNIQTVANSIV-HOCLYGCPSA-N 450.783 5.445 50 10 JKGE COCc1cc(C)nc2sc(C(=O)NN=Cc3ccc(Br)cc3)c(-n3cccc3)c12 1081098342 GQBGFNIAUYHJRU-UHFFFAOYSA-N 483.391 5.068 50 10 JKGE O=C(CC[C@@H](O)c1ccccc1)NN=Cc1ccc(Oc2ccc(C(F)(F)F)cc2[N+](=O)[O-])cc1 1084005525 DRSINBZMZIGUQL-OAQYLSRUSA-N 487.434 5.370 50 10 JKGE O=C(NN=Cc1c(Cl)cccc1Cl)c1ccc([C@@H]2Nc3ccccc3[C@@H]3C=CC[C@H]32)cc1 1084106383 ZBOGLGXFOCHCQI-NNPDTBDGSA-N 462.380 6.584 50 10 JKGE O=C(NN=Cc1cn(Cc2ccc(Cl)cc2)c2ccccc12)c1ccccc1Br 1084278442 XVYGLRRGXFJIFY-UHFFFAOYSA-N 466.766 5.869 50 10 JKGE CC1=C(C(=O)NN=Cc2ccc(Cl)cc2Cl)[C@H](c2ccc(Cl)cc2Cl)NC(=O)N1 1084338669 IBBDNTHMUNYMRJ-KRWDZBQOSA-N 472.159 5.078 50 10 JKGE O=C(CSc1ccccc1)NN=C1C(=O)N(C(c2ccccc2)c2ccccc2)c2ccccc21 1084477145 LENBZHQCSPIQHM-UHFFFAOYSA-N 477.589 5.435 50 10 JKGE Cc1cccc(C(=O)Nc2cccc3c(OC(=O)Nc4ccc(SC#N)cc4)cccc23)c1 1858768399 JVSNSIZBHGVCHN-UHFFFAOYSA-N 453.523 6.585 50 10 JKGE CCCc1nn(Cc2ccccc2F)c2c1[C@@H](c1ccc(Cl)c(Cl)c1)C(C#N)=C(N)O2 1865685707 LULGKZPPTWXMSP-FQEVSTJZSA-N 457.336 5.548 50 10 JKGE CCCOc1ccc([C@@H]2C(C#N)=C(N)Oc3c2c(-c2ccc(OC)cc2)nn3CC(C)C)cc1 1865692846 GATVOXXCEZVWJN-HSZRJFAPSA-N 458.562 5.222 50 10 JKGE Cc1nn(-c2ccccc2Cl)c2c1[C@@H](c1ccc(OC(=O)c3ccccc3)cc1)C(C#N)=C(N)O2 1865705302 QZJILFHUKYDHLS-DEOSSOPVSA-N 482.927 5.272 50 10 JKGE Cc1ccc(-c2ccc(C(=O)NNC(=O)[C@@H](C)Oc3ccc(Cl)cc3Cl)c(C)n2)cc1C 1865756330 RZVFIUBCLZTCAX-MRXNPFEDSA-N 472.372 5.209 50 10 JKGE CCOC(=O)c1c(NC(=O)/C(C#N)=C/c2ccc(C)cc2)sc(C(=O)Nc2ccccc2)c1C 1866127109 IYFYTKJNFUDJEO-XMHGGMMESA-N 473.554 5.340 50 10 JKGE CC(C)c1nc(Nc2ccc(SC#N)cc2)cc(N2C[C@@H](c3ccccc3)Cc3ccccc32)n1 1868231303 BSHLGOPBFJKESV-QHCPKHFHSA-N 477.637 7.395 50 10 JKGE CC(C)N1CCN(c2cc(Nc3ccc(SC#N)cc3)nc(-c3ccccc3)n2)c2ccccc21 1868364927 IJVCGMJMVLZZLM-UHFFFAOYSA-N 478.625 6.827 50 10 JKGE COc1c(Cl)cc(Cl)cc1-c1csc(/C(C#N)=C(\O)COc2ccc(C)cc2C)n1 1872754465 UEQQYSTTXYEMCZ-MNDPQUGUSA-N 461.370 6.614 50 10 JKGE CCOc1ccc(OCC)c(-c2csc(/C(C#N)=C(\O)c3ccc(OC)c(OC)c3)n2)c1 1872754786 JBHFTCJRZMWFOW-NKFKGCMQSA-N 452.532 5.575 50 10 JKGE COc1ccc(C)cc1-c1csc(/C(C#N)=C/c2c(OCc3ccccc3)ccc3ccccc23)n1 1872791314 CYCPZNPNSKTYGJ-JJIBRWJFSA-N 488.612 7.924 50 10 JKGE COc1ccc(OC)c(-c2csc(/C(C#N)=C(O)/C=C/c3ccc(Cl)cc3Cl)n2)c1 1873920601 JPHDNWKIZMCTBX-SRJXWNLSSA-N 459.354 6.640 50 10 JKGE CC(C)N1C(=O)c2ccc(/C(O)=C(\C#N)c3nc(-c4ccc5ccccc5c4)cs3)cc2C1=O 1873941028 SJWNVYFMVAYQPX-GYHWCHFESA-N 465.534 5.918 50 10 JKGE Clc1cc(I)c([C@@H](Br)c2ccc(Br)cc2)s1 1900918253 DLHMIMZRXWHKOT-JTQLQIEISA-N 492.401 6.253 50 10 JKGE Cc1nsc(Br)c1[C@@H](Br)c1cc(Br)c2c(c1)C[C@@H](C)O2 1912941745 INAZLWXFBBZWQA-INWYIAFRSA-N 482.035 5.784 50 10 JKGE Cc1cc(CCl)cc(S(=O)(=O)N(Cc2ccccc2)Cc2cccs2)c1Br 1914890993 KLBOIUQBHBLWJO-UHFFFAOYSA-N 484.868 5.949 50 10 JKGE C[C@H](CCBr)N(Cc1ccccc1)Cc1c(Br)cccc1Br 1915092720 MQTUIXJKJZEGBG-CQSZACIVSA-N 490.077 6.387 50 10 JKGE CC(C)[C@H](CBr)N(Cc1ccccc1)C(=O)c1cc(Cl)ccc1Br 1915298103 OWWMNVMAAWXHSR-SFHVURJKSA-N 473.636 6.164 50 10 JKGE COc1ccc([C@@H](Br)c2sc(Br)c(C)c2Br)c(F)c1 1922899680 DQZQSWVBHSBQAN-LLVKDONJSA-N 472.999 6.214 50 10 JKGE Fc1ccccc1C[C@@H](Br)c1c(Br)sc(Br)c1Cl 1923038886 KZFQYNYSXSISMY-SSDOTTSWSA-N 477.418 6.744 50 10 JKGE Clc1c(Br)sc(Br)c1[C@H](Cl)[C@@H]1CC[C@H]2CCCC[C@H]2C1 1923050190 RCMHUGLJNKWPGL-DTHBNOIPSA-N 461.090 7.813 50 10 JKGE Brc1sc(Br)c([C@H](Br)[C@@]23CCC[C@@H]2C3)c1Br 1924614820 RMBZITUYGDOMQY-ROXVQFJHSA-N 493.884 6.662 50 10 JKGE COCc1cc(Br)c([C@H](Br)c2csnc2Br)s1 1925262448 LTVZYNDCFZSAEB-MRVPVSSYSA-N 462.026 5.360 50 10 JKGE Clc1ccc(Br)cc1CN(Cc1ccccc1)C1(CBr)CCC1 1979521063 VQGMQQSABGQMGX-UHFFFAOYSA-N 457.637 6.422 50 10 JKGE Brc1sc(Br)c([C@H](Br)[C@H]2[C@H]3COC[C@H]32)c1Br 1982231995 JJVRNNLKAHMOLX-LPWFLVPJSA-N 495.856 5.364 50 10 JKGE CCc1cc(Br)c([C@H](Cl)c2c(Br)cccc2Br)s1 2033091007 MFLXEWSZRKAZDO-GFCCVEGCSA-N 473.455 6.926 50 10 JKGE Cc1ccc(Cl)c([C@H](Br)c2ccc(Br)cc2Br)c1 2083319670 BGWQWPPYYCIFEO-CQSZACIVSA-N 453.399 6.658 50 10 JKGE Cc1ccc(Br)c([C@H](Cl)c2ccc(Br)cc2Br)c1 2083319867 CVUZJNBWJYZCAT-CQSZACIVSA-N 453.399 6.611 50 10 JKGE Fc1cc(Cl)c([C@H](Br)c2scc(Br)c2Br)cc1Cl 2083779789 FWHPWHIIRJLNHY-VIFPVBQESA-N 497.836 7.203 50 10 JKGE BrCC(CBr)(Cc1csc(Br)c1)C1CCCCC1 2084081427 VZUDRLRWUKECMO-UHFFFAOYSA-N 459.085 6.410 50 10 JKGE Cl[C@@H](c1ccc(C2CC2)s1)c1ccc(Br)cc1I 2086153794 NUYAQPWQPXCCRW-CQSZACIVSA-N 453.570 6.321 50 10 JKGE Cc1c(Br)cccc1CC(CBr)(CBr)C1CCCC1 2087380960 OYAJGKFLEPKRDH-UHFFFAOYSA-N 453.056 6.266 50 10 JKGE Cc1cc(Br)c(F)c([C@@H](Br)c2sc(C)c(Br)c2C)c1 2089374544 MBLAQIPSSUAYDF-GFCCVEGCSA-N 471.027 6.822 50 10 JKGE Cc1ccc(Oc2c(CBr)ccc(Br)c2Cl)c(Br)c1 2098119273 ZVDQCRYGDLARDE-UHFFFAOYSA-N 469.398 6.861 50 10 JKGE FC1(F)C[C@]12CC[C@@H]([C@H](Br)c1cc(Br)ccc1Br)C2 2099907972 LPLBBZSDUPEWOU-OXHMUOHRSA-N 458.966 6.473 50 10 JKGE COC1CC2(C1)CC([C@@H](Br)c1cc(Br)ccc1Br)C2 2100340639 TXWVKWAMBSZONH-MGTHKITRSA-N 453.012 5.853 50 10 JKGE C[C@H]1CO[C@@H](CC(CBr)(CBr)c2cccc(Br)c2)C1 2110063759 FTBHAXNKPYGTFW-BXUZGUMPSA-N 455.028 5.292 50 10 JKGE C[C@H](Cl)c1nc2cc(Cl)c(Br)cc2n1[C@H](C)CN(C)Cc1ccccc1 2112691097 OCGCNXMGIUNCGA-KGLIPLIRSA-N 455.227 6.445 50 10 JKGE Fc1c(Cl)cccc1C[C@@H](Cl)c1cc(Br)ccc1I 2113464741 ZEPXYXIJGCGGMK-GFCCVEGCSA-N 473.938 6.369 50 10 JKGE Clc1cc(Br)cc(CC[C@@H](Br)c2ccc(Br)cc2)c1 2113480722 GVPUTDXEIWSYSK-OAHLLOKOSA-N 467.426 6.934 50 10 JKGE Brc1csc([C@@H](Br)c2ccc(Br)c3ccccc23)c1 2115923900 JEPUJIMZEQGMPK-HNNXBMFYSA-N 461.016 6.911 50 10 JKGE COc1cscc1[C@@H](Br)c1c(C)c(Br)cc(C)c1Br 2136371852 QENAFPTZPHHPEG-CQSZACIVSA-N 469.036 6.383 50 10 JKGE Cc1c(Br)ccc([C@H](Br)[C@@H](CC(C)C)C(C)C)c1Br 2138860756 FPJDBERJHLUWPO-BBRMVZONSA-N 455.072 7.274 50 10 JKGE Clc1cc2c(cc1[C@H](Cl)c1csc(Br)c1Br)OCCO2 2150341630 HRKKXMPHIXHFKA-LBPRGKRZSA-N 458.986 6.026 50 10 JKGE FC1(F)CCC2(CC1)C[C@H]2[C@H](Br)c1cc(Br)ccc1Br 2163385110 AHFBILKKPYDMDG-WCQYABFASA-N 472.993 6.863 50 10 JKGE CC[C@@H](Br)[C@@H]1CCCCN1C(=O)c1cc(Br)cc(Br)c1 2170615698 SBLBEIXRHAKBHE-KGLIPLIRSA-N 468.027 5.380 50 10 JKGE F[C@@]12CCC[C@]1(CBr)CN(Cc1ccc(Br)cc1Br)C2 2176636632 PSDDQXLSNJYQOG-LSDHHAIUSA-N 470.018 5.301 50 10 JKGE FC1(F)CCC([C@H](Br)c2cc(I)cc3c2OCC3)CC1 2177597104 YNNZZHDJJJDXMT-ZDUSSCGKSA-N 457.096 5.488 50 10 JKGE CN([C@@H]1CC[C@H]1OCc1ccccc1)S(=O)(=O)c1cc(Cl)cc(CBr)c1Cl 2179858470 OXCPBBPIMBFWSO-IAGOWNOFSA-N 493.250 5.257 50 10 JKGE COc1cc([C@H](Br)c2cc(Br)ccc2OC)ccc1Br 2192151600 NVVKFZBSRVEPBV-HNNXBMFYSA-N 464.979 5.713 50 10 JKGE Brc1c2c(c([C@@H](Br)C3CC(Br)C3)c3c1CCC3)CCC2 2196891383 RVJAIGPYXGSLGY-HWYSMQLTSA-N 463.051 6.036 50 10 JKGE CC[C@H]1CC[C@H]([C@@H](Br)c2c(C)c(Br)cc(C)c2Br)CC1 2201074090 PZMIGIUNQDJBJN-PBFPGSCMSA-N 467.083 7.481 50 10 JKGE COc1cc2c(cc1Br)nc([C@@H](C)Cl)n2[C@@H](C)CN(C)Cc1ccccc1 2202311979 MOBURAJXBMHQQK-LSDHHAIUSA-N 450.808 5.800 50 10 JKGE COc1cc(Cl)c([C@H](Br)c2cc(Br)ccc2F)cc1Br 2202351350 ITXQBEOWZNFNID-AWEZNQCLSA-N 487.388 6.497 50 10 JKGE Cc1cc(C(=O)N(Cc2ccccc2)C2(CBr)CCC2)cc(C)c1Br 2220195860 TXKIHSFORULYKD-UHFFFAOYSA-N 465.229 6.026 50 10 JKGE Cc1ccc([C@@H](Br)c2cc(F)c(F)cc2Cl)cc1I 2224622482 RMHCKQFOUPHCCR-CQSZACIVSA-N 457.483 6.016 50 10 JKGE Fc1cc([C@@H](Br)c2cc(Br)c(Br)cc2F)ccc1Cl 2225615948 BHDUMYTUVAVVBG-CYBMUJFWSA-N 475.352 6.628 50 10 JKGE C[C@H]1C[C@H]([C@H](Br)c2cc(Br)c(Br)cc2F)C[C@@H](C)O1 2225634209 NLIBKXFQGMTBIG-KSCJFIISSA-N 458.991 5.990 50 10 JKGE Cc1cc(Br)c([C@@H](Br)c2cnc(Cl)n2C)c(C)c1Br 2227359515 IUKKACGCRZRKAF-LBPRGKRZSA-N 471.418 5.700 50 10 JKGE Cc1cc(Br)c([C@H](Br)c2nn(C)c(Br)c2C)c(C)c1Cl 2232526938 BBOSMDCRMWVUEA-NSHDSACASA-N 485.445 6.008 50 10 JKGE CC(C)(C)OC(=O)N1CCC(CBr)(OCc2ccccc2C(F)(F)F)CC1 2236059067 ALPDSKSWMWQJON-UHFFFAOYSA-N 452.311 5.387 50 10 JKGE Fc1ccc([C@H](Br)Cc2ccc(Br)cc2Cl)c(F)c1Br 2237455412 MRRNVRCKTHOETF-SNVBAGLBSA-N 489.379 6.822 50 10 JKGE CCc1nn(C)c([C@H](Br)c2ccc(Br)c(C)c2Br)c1Cl 2240932806 LHIWDYYKLBMJDM-GFCCVEGCSA-N 485.445 5.954 50 10 JKGE CCc1cc([C@H](Br)c2cccc(Br)c2C)sc1Br 2255990088 YFPMTNFADCJTLG-CYBMUJFWSA-N 453.037 6.628 50 10 JKGE COc1c(Br)cc(Cl)c(C)c1[C@@H](Br)C1(Br)CCC1 2263541611 CEYPIUAIRXZBLU-GFCCVEGCSA-N 461.419 6.173 50 10 JKGE COc1ccc([C@H](Cl)c2ccccc2I)c(Br)c1Cl 2268259937 OSPVBOTYEVGHJJ-CYBMUJFWSA-N 471.947 6.044 50 10 JKGE CC1(C)[C@@H]([C@H](Br)c2c(F)cc(Br)c(F)c2Br)C1(F)F 2272733959 KRYAPAIGRIACPJ-PSASIEDQSA-N 468.908 6.217 50 10 JKGE COc1cc(Cl)c([C@H](Br)c2cccc(I)c2)c(OC)c1 2294908637 SWKCLJOXEZDOFN-OAHLLOKOSA-N 467.528 5.446 50 10 JKGE C[C@@H]1CCCC[C@H]1NC(=O)C(C#N)=Cc1ccc(OCc2ccccc2)c(Br)c1 2295196113 VQPNGUTWDSRJRT-VGOFRKELSA-N 453.380 5.630 50 10 JKGE CC1(C)CC2(CC([C@H](Br)Cc3cc(Br)cc(Br)c3)C2)C1 2295346056 UTUZVBWZMHAMSX-OAHLLOKOSA-N 465.067 6.734 50 10 JKGE CCCCCCOC(=O)c1ccccc1NC=C(C#N)c1nc(-c2ccc3c(c2)OCO3)cs1 2295934358 IVFHZYMSTRKFGM-UHFFFAOYSA-N 475.570 6.252 50 10 JKGE Cc1ccc(N2C(=O)[C@H](Cc3ccccc3C)SC2=C(C#N)C(=O)Nc2ccc(F)cc2)cc1 2296633558 INLUVTYIVDHHOL-DEOSSOPVSA-N 471.557 5.508 50 10 JKGE CCOC(=O)c1c(NC=C(C#N)c2nc(-c3ccccc3)cs2)sc2c1CC[C@H](C(C)(C)C)C2 2296790070 MABMKMSZQIVDNI-IBGZPJMESA-N 491.682 7.176 50 10 JKGE Cc1ccc(C[C@H]2SC(=C(C#N)C(=O)Nc3cccc(C)c3C)N(c3ccccc3)C2=O)cc1 2297463178 NIKPCJDOOPWJIM-RUZDIDTESA-N 467.594 5.677 50 10 JKGE CC(C)(C)[C@H]1CC(=Cc2ccccc2Cl)C2=C(C1)[C@@H](c1ccccc1Cl)C(C#N)=C(N)O2 2297504865 DCDCHBSBVCLMAN-MHECFPHRSA-N 465.424 7.595 50 10 JKGE COc1ccccc1C=CC=NNC(=O)CSc1nnc(-c2ccc(C)cc2)n1C1CCCCC1 2297509672 VDVODOZOOAFOND-UHFFFAOYSA-N 489.645 5.675 50 10 JKGE N#CC(=Cc1ccc(-c2cccc(Cl)c2Cl)o1)C(=O)Nc1ccc([N+](=O)[O-])cc1Cl 2297551332 BAAARGSVVBFDLW-UHFFFAOYSA-N 462.676 6.361 50 10 JKGE C[C@@H]1C[C@@H](C[C@H](Br)c2ccc(OCc3ccccc3)cc2Br)CO1 2299490292 XOMFOCXLATXOPR-ALKREAHSSA-N 454.202 6.279 50 10 JKGE Fc1c(Br)cc(Cl)c([C@H](Cl)[C@H]2C[C@H](Br)C2)c1Br 2300183958 YARHJHUUQYFHQY-FJNYAOGASA-N 469.801 6.458 50 10 JKGE Cc1cccc([C@H](Cl)c2sc(Cl)cc2I)c1Br 2300955602 ODKCBXSTNHMLLH-NSHDSACASA-N 461.977 6.405 50 10 JKGE Cc1ccc(C)c(NC(=O)C(C#N)=Cc2cc(Br)c(O)c(Br)c2)c1 2313510951 FZCOZOKHKRUPGT-UHFFFAOYSA-N 450.130 5.080 50 10 JKGE N#CC(=Cc1cn(Cc2ccc(Cl)cc2)c2ccccc12)C(=O)Nc1ccc(Cl)c(Cl)c1 2313631266 NEGZTWWWQXVRRB-UHFFFAOYSA-N 480.782 7.195 50 10 JKGE N#CC(=Cc1ccc(N2N=C(c3ccccc3)C[C@@H]2c2ccccc2)cc1)C(=O)NCc1ccccc1 2314482164 ABNQWCWMMGMLHG-WJOKGBTCSA-N 482.587 6.266 50 10 JKGE N#CC(=Cc1c[nH]nc1-c1cccc([N+](=O)[O-])c1)c1nc(-c2ccc(Br)cc2)cs1 2314486209 BTBQEPJHRREBSB-UHFFFAOYSA-N 478.331 5.935 50 10 JKGE FC(F)(C1CCCC1)[C@@H](Br)c1cc(Br)ccc1OCc1ccccc1 2314490236 MVRRYHJYXRVCCJ-IBGZPJMESA-N 474.183 7.290 50 10 JKGE N#CC(=Cc1ccccc1OCC(=O)Nc1nccs1)c1nc(-c2ccc(Cl)cc2)cs1 2314490306 WXFNHFLGFBIDNP-UHFFFAOYSA-N 478.986 6.002 50 10 JKGE N#CC(=Cc1c(Oc2ccccc2)nc2ccccn2c1=O)C(=O)Nc1cccc(C(F)(F)F)c1 2314532943 ODSJMHFYEPJBCI-UHFFFAOYSA-N 476.414 5.051 50 10 JKGE C=CCN1C(=O)C(=Cc2cn(-c3ccccc3)nc2-c2ccc(OCC(C)C)cc2)C(C)=C(C#N)C1=O 2314616648 GIWPSQIFTLKRMR-UHFFFAOYSA-N 492.579 5.352 50 10 JKGE CCCc1sc(Br)cc1[C@@H](Cl)c1csc(Br)c1Br 2316178161 MAPHFROOYVERFV-LLVKDONJSA-N 493.511 7.378 50 10 JKGE COc1ccc(C(C#N)=Cc2ccc(OC(=O)c3ccccc3Br)c(OC)c2)cc1 2320507121 ZCDCSUDCDJOVBX-UHFFFAOYSA-N 464.315 5.750 50 10 JKGE CC(C)[C@H]1[C@@H](Br)CCN1Cc1ccc(I)c(Br)c1 2325209588 PJCKTLKSQYBVJY-FZMZJTMJSA-N 487.017 5.048 50 10 JKGE C[C@H](NC=C(C#N)C(=O)Nc1ccccc1Sc1ccccc1)c1ccc2c(c1)CCCC2 2325336195 NKHKVOFLKDKBMM-FQEVSTJZSA-N 453.611 6.413 50 10 JKGE COc1cc(C=C(C#N)n2cnc3ccccc32)ccc1OCc1ccc(Cl)c(Cl)c1 2331032813 KMVJXAFOLWVADH-UHFFFAOYSA-N 450.325 6.452 50 10 JKGE N#CC(=C(O)CCN1C(=O)c2ccccc2C1=O)c1nc(-c2ccc(-c3ccccc3)cc2)cs1 2331231795 CWINMOQXECUWAP-UHFFFAOYSA-N 477.545 5.956 50 10 JKGE CCCCc1ccc(-c2csc(C(C#N)=C(O)[C@@H](C)Oc3ccc(Cl)cc3Cl)n2)cc1 2331256713 SQXVROAZMRUYEQ-OAHLLOKOSA-N 473.425 7.720 50 10 JKGE CCOc1ccc(CCC(O)=C(C#N)c2nc(-c3ccc(Br)cc3)cs2)cc1OC 2331260122 MGSCQZDBEFLCKK-UHFFFAOYSA-N 485.403 6.405 50 10 JKGE COc1ccc(OCC(O)=C(C#N)c2nc(-c3ccccc3Cl)cs2)c(C(C)(C)C)c1 2331266734 BQQIZQYUXVYMRC-UHFFFAOYSA-N 454.979 6.641 50 10 JKGE CCc1cccc(CC)c1N1C[C@@H](C(O)=C(C#N)c2nc(-c3cccc(Cl)c3)cs2)CC1=O 2331294064 LUHFKCWTQDVLJN-IBGZPJMESA-N 478.017 6.434 50 10 JKGE CCOc1ccc(-c2csc(C(C#N)=C(O)c3ccccc3Br)n2)c(OCC)c1 2331387027 PRPAXKUXNVDTNX-UHFFFAOYSA-N 471.376 6.320 50 10 JKGE COc1ccc(-c2csc(C(C#N)=C(O)COc3cc(Cl)ccc3Cl)n2)cc1Cl 2331398428 TZGXIMBXMDOZSR-UHFFFAOYSA-N 467.761 6.651 50 10 JKGE CCCCCCOc1ccc(C=C(C#N)c2nc(-c3c(C)cc(C)cc3C)cs2)cc1OC 2331478363 BOMXMQUOTILYMD-UHFFFAOYSA-N 460.643 7.767 50 10 JKGE Cc1cc(Br)c(C)c([C@@H](Br)[C@@H]2C[C@@H]3C[C@@H]3CO2)c1Br 2332925827 RQXFMRBUFSPBOZ-HOZXKAFVSA-N 453.012 5.689 50 10 JKGE C[C@]1([C@H](Br)c2cc(Br)ccc2OCc2ccccc2)CCCCC1(F)F 2336055473 AFOJIWSFSKXCTG-WOJBJXKFSA-N 488.210 7.680 50 10 JKGE Cc1ccc(OCc2ccc(Cl)c(I)c2)c(CBr)n1 2337277528 UUQZEMPFFJUHMH-UHFFFAOYSA-N 452.517 5.122 50 10 JKGE CCCc1sc(Br)cc1[C@H](Br)c1cccc(Br)c1Cl 2338026530 QYYDBWBFWSHRMK-CYBMUJFWSA-N 487.482 7.363 50 10 JKGE Cc1csc([C@@H](Cl)c2c(C)cc(Br)c(F)c2Br)c1Br 2339658638 KFENXDJJPSILJD-NSHDSACASA-N 491.445 7.120 50 10 JKGE C[C@@H]1CCC[C@@](CBr)(Cc2ccc(Cl)cc2I)CC1 2341053428 XWDQVZLLCWHCGP-WBMJQRKESA-N 455.605 6.469 50 10 JKGE ClC[C@H](Cc1ccc(Cl)cc1I)c1cccc(Br)c1 2341053678 YXDAYEOTFBGVJB-LBPRGKRZSA-N 469.975 6.272 50 10 JKGE Fc1cccc(CCl)c1OCc1cc(I)ccc1Br 2341779425 JRUDARHPPFPEHT-UHFFFAOYSA-N 455.492 5.511 50 10 JKGE C[C@H](c1ccncc1F)[C@@H](Br)c1ccc(Cl)cc1I 2344715256 YUTWBILJYZBQRL-XLKFXECMSA-N 454.508 5.718 50 10 JKGE CC[C@H]1CN(CC2(CBr)CC(C)(C)C2)[C@H](CC)CN1C(=O)OCc1ccccc1 2345004158 GWLNGCNYWKAXCA-RTWAWAEBSA-N 465.476 5.699 50 10 JKGE CCC[C@@H]1CC[C@H](Cl)[C@H](Cc2ccc(I)c(Br)c2)C1 2349778374 KNYKHVFAFJBOSM-ZLDLUXBVSA-N 455.605 6.420 50 10 JKGE Cc1c(OCc2ccc(I)c(Br)c2)ccnc1CBr 2350059764 YUUKPAAKRNKVQG-UHFFFAOYSA-N 496.968 5.231 50 10 JKGE Fc1cc(Cl)c(Br)c(Cl)c1[C@@H](Br)[C@@H]1C(F)(F)C12CCC2 2360404291 BIFZXWDBSQSTQY-KOLCDFICSA-N 452.923 6.766 50 10 JKGE CS(=O)(=O)C1CC([C@@H](Br)c2c(F)cc(Cl)c(Br)c2Cl)C1 2360482649 AIZXTYXJHOAZOY-SHOFKNTGSA-N 468.997 5.154 50 10 JKGE Cc1c(Cl)cccc1[C@@H](Br)c1c(F)cc(Cl)c(Br)c1Cl 2360494666 WUQQXEGUHQCGOY-GFCCVEGCSA-N 461.383 7.341 50 10 JKGE O=S1(=O)C[C@@H]2CCC[C@@]2([C@H](Cl)c2ccc(OCc3ccccc3)cc2Br)C1 2361215327 RZHJQMPRBNHKQC-ZLGUVYLKSA-N 469.828 5.523 50 10 JKGE COc1c(C)cc(C)cc1[C@H](Br)c1c(Br)c(Br)nn1C 2364235361 OPJQSGYRQHCRLR-JTQLQIEISA-N 466.999 5.055 50 10 JKGE Cc1cc(Br)c(F)c(Br)c1[C@H](Br)[C@@H]1CO[C@]2(C)C[C@H]1C2 2365227119 BTMQAALSZOLYBN-DZUGKKRCSA-N 471.002 5.910 50 10 JKGE COc1c(Br)cc(C)c([C@H](Br)[C@@H]2C[C@H](C)O[C@@H]2C)c1Br 2365234427 JFYGSQYLABNEBS-DCJFZGGZSA-N 471.027 5.778 50 10 JKGE Cc1nc(OCc2cc(I)ccc2Br)c(Cl)cc1CCl 2367279898 VQPLJIDJMURENF-UHFFFAOYSA-N 486.962 5.728 50 10 JKGE ClC[C@]1(Cc2ccc(I)c(Br)c2)C[C@H]2C=C[C@H]1CCC2 2377311062 QRKLVYGDKGLMEC-SUYBPPKGSA-N 465.600 6.198 50 10 JKGE CCc1cc(Br)c(OC)c([C@H](Br)c2sc(C)cc2Br)c1 2381257670 HMVZGIUXXYHTAF-ZDUSSCGKSA-N 483.063 6.637 50 10 JKGE O=C(NC1CCCCCC1)[C@H](c1ccc(F)cc1Cl)N(Cc1ccc(F)cc1)C(=O)CCl 3039218 FYJMWBWWBJGTOQ-QHCPKHFHSA-N 483.386 5.766 50 10 JKGE N#C/C(=C/C=C\c1ccccc1[N+](=O)[O-])c1nc(-c2cc3cc([N+](=O)[O-])ccc3oc2=O)cs1 33398851 KNDPFQVLMGZPTJ-VUUBKFHSSA-N 472.438 5.353 50 10 JKGE COc1cc(/C=C(/C#N)c2ccc(Cl)cc2)ccc1OC(=O)CCCOc1ccc(C)cc1 33745834 COFGFMLHCNVYOI-JWGURIENSA-N 461.945 6.486 50 10 JKGE Cc1cccn2c(=O)c(/C=C(/C#N)C(=O)N3CCCCC3)c(Oc3ccc(Cl)cc3Cl)nc12 33910316 NMXLAUDZBJWIIK-VBKFSLOCSA-N 483.355 5.022 50 10 JKGE CCCSc1ccc(-c2nn(-c3ccccc3)cc2/C=C(\C#N)S(=O)(=O)c2ccc(C)cc2)cc1 35445892 OEOXBFFNHCATTP-OVVQPSECSA-N 499.661 6.688 50 10 JKGE CCCCOc1ccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4ccc(OCCC)cc4)ccc32)cc1 38650815 XXMNKDQTTHWQDX-MUUNZHRXSA-N 498.579 6.092 50 10 JKGE Cc1cccc(C)c1OCC(=O)Oc1ccc2c(c1)OC(N)=C(C#N)[C@@H]2c1ccc(Cl)c(Cl)c1 38655865 TWAQRKADUTYZMR-XMMPIXPASA-N 495.362 5.813 50 10 JKGE Cc1cccn2c(=O)c(/C=C(/C#N)C(=O)Nc3ccccc3Cl)c(Oc3ccccc3Cl)nc12 39858686 RRLDATIAERYHDY-SSZFMOIBSA-N 491.334 5.648 50 10 JKGE O=C(CCCc1c(-c2ccc3ccccc3n2)[nH]c2ccc(F)cc12)NNC(=O)COc1ccccc1 39867638 PZIHYWHCMXUVCX-UHFFFAOYSA-N 496.542 5.071 50 10 JKGE CCc1ccc(NC(=O)c2oc3c(c2C)/C(=N/NC(=O)c2ccc(Br)cc2)CCC3)cc1 40811762 LZWHTCLOAAJXFA-VFCFBJKWSA-N 494.389 5.636 50 10 JKGE Cc1cccc(/C=N/NC(=O)CSc2c(Cl)c(Cl)c(Cl)c(Cl)c2Cl)n1 59153580 NMCDQWKPSDENQO-IGCPIRJNSA-N 457.597 5.899 50 10 JKGE Fc1cc(Br)c(Cl)cc1[C@@H](Cl)c1cccc(I)c1 97895541 QKZBHCZEUDIDEV-ZDUSSCGKSA-N 459.911 6.174 50 10 JKGE CCCCCCCOc1ccc(C(=O)NNC(=O)c2ccc(NC(=O)C3CCCCC3)cc2)cc1 100153727 LMINORUQJHWWIM-UHFFFAOYSA-N 479.621 5.629 50 10 JKGE CCOc1cc(/C=C(/C#N)C(=O)Nc2cc([N+](=O)[O-])ccc2OC)ccc1OCc1ccc(F)cc1 101409227 JERWZTTXMOJNBP-UNOMPAQXSA-N 491.475 5.266 50 10 JKGE N#C/C(=C/Nc1ccc2cn[nH]c2c1)c1nc(-c2cc3cc(Br)ccc3oc2=O)cs1 102420952 YONVDCUCVSFQGW-ZROIWOOFSA-N 490.342 5.532 50 10 JKGE Fc1ccc(Cl)cc1[C@@H](Br)c1cc(Br)sc1Br 104032405 ATEBNPUYUOKTTJ-SNVBAGLBSA-N 463.391 6.550 50 10 JKGE COc1ccc(CC[C@H](Br)c2cc(Br)sc2Br)cc1 109869879 ZHBUBCGHJDYPOV-LBPRGKRZSA-N 469.036 6.351 50 10 JKGE Brc1cccc([C@H](Br)c2ccc(Br)c3ccccc23)c1 127468760 QRESCFCNLZLLGV-KRWDZBQOSA-N 454.987 6.849 50 10 JKGE Cc1cc(Br)ccc1[C@@H](Cl)c1cc(Br)c(Br)s1 128120081 SBVGNIXLFYCYGI-LLVKDONJSA-N 459.428 6.672 50 10 JKGE Cc1cc([C@H](Br)c2cc(Br)sc2Br)ccc1Cl 138392356 BMVKSKNGFFFKLJ-NSHDSACASA-N 459.428 6.719 50 10 JKGE CCCC1CCC(CI)(OCc2cccc(Br)c2)CC1 162538685 MSYSIKNQXOWIOP-UHFFFAOYSA-N 451.186 6.130 50 10 JKGE Clc1cc(Br)ccc1COc1ccc(Br)c(CBr)c1 168184618 QNZVESRIKRHLEL-UHFFFAOYSA-N 469.398 6.339 50 10 JKGE C=CCN1C(=O)C(C#N)=C(C)/C(=C/c2cn(-c3ccccc3)nc2-c2c(C)cc(C)cc2C)C1=O 214351642 AYSJZBTYYMKCOP-IWIPYMOSSA-N 462.553 5.243 50 10 JKGE COc1cc(Br)c([C@H](Cl)c2cccc(Br)c2Cl)cc1OC 228451041 FEODISNXZNZSKN-CQSZACIVSA-N 454.973 6.210 50 10 JKGE CC[C@H]1CCC[C@@H](Oc2c(Br)cc(CBr)cc2Br)C1 234081706 SZBJSEAXEHWPOL-CMPLNLGQSA-N 455.028 6.454 50 10 JKGE C[C@H]1CCC[C@](CBr)(NC(=O)c2cc(Br)sc2Br)C1 235628398 FIFFRWJIKNPCEM-SDBXPKJASA-N 474.056 5.347 50 10 JKGE Cc1ccc(C=NNC(=O)[C@H](C)Sc2nnc(CNc3ccc(C)cc3)n2-c2ccccc2)cc1 252626982 RJPFCLOPADFPNY-NRFANRHFSA-N 484.629 5.127 50 10 JKGE Cc1nn(Cc2ccc(F)cc2)c(Cl)c1C=NNC(=O)c1ccc(COc2ccccc2)cc1 254496630 FSSIFYQSHMSKTD-UHFFFAOYSA-N 476.939 5.375 50 10 JKGE Cc1ccccc1C(=O)Oc1ccc(C=NNC(=O)COc2ccc(OCc3ccccc3)cc2)cc1 254712944 KVELTXNHBGJTPM-UHFFFAOYSA-N 494.547 5.322 50 10 JKGE CCn1c2ccccc2c2cc(NC(=O)CC(C)=NNC(=O)Cc3cccc4ccccc34)ccc21 254751821 NWAWLDMEZGLBOO-UHFFFAOYSA-N 476.580 6.031 50 10 JKGE O=C(CN1CCn2c3c(c4cc(C5CCCCC5)ccc42)CCC[C@H]31)NN=Cc1ccccc1 254906633 AVFISANCMIGZNB-HHHXNRCGSA-N 454.618 5.532 50 10 JKGE C=C(C)c1cccc(C(C)(C)NC(=O)NN=Cc2ccc(OCCCCCC)c(OC)c2)c1 256017145 IHOHLNWEUNTFGF-UHFFFAOYSA-N 451.611 6.256 50 10 JKGE Cc1cc(Br)cc([C@H](Br)c2c(C)cc(C)c(Br)c2C)c1 380482352 WSOUXSORFCNKRM-KRWDZBQOSA-N 461.035 6.930 50 10 JKGE C[C@@H](Cl)C[C@H]1CCCCN1C(=O)c1cc(Br)ccc1I 383614384 SUQXEDYVFXCNDR-ZYHUDNBSSA-N 470.576 5.066 50 10 JKGE CCCc1ccc([C@H]2CN(C(=O)OCc3ccccc3)C[C@H]2CI)cc1 394676534 TXCDYAADOSLPLD-NHCUHLMSSA-N 463.359 5.426 50 10 JKGE COc1cc(Br)c(Oc2cccc(Br)c2CCl)cc1Br 394730757 BCAASPPNDNUUKQ-UHFFFAOYSA-N 485.397 6.514 50 10 JKGE Cc1c(NC(=O)OC(C)(C)C)cn2c(Br)c(CCl)nc2c1Br 669369414 RYDUABTVOIYKRZ-UHFFFAOYSA-N 453.562 5.254 50 10 JKGE C[C@@H](CBr)[C@@H]1CCCCN1C(=O)c1cc(Br)c(Br)s1 699961720 STGBIPRWDSJCLL-WPRPVWTQSA-N 474.056 5.299 50 10 JKGE O=C(NN=C/C(Cl)=C\c1ccccc1)c1ccc(NN=C/C(Cl)=C/c2ccccc2)cc1 886000318 CFEUJCDNAHZPSL-DOPMCZLISA-N 463.368 6.360 50 10 JKGE Cc1cc(C)c2c(-n3cccc3)c(C(=O)NN=Cc3cc(Cl)cc(Cl)c3O)sc2n1 1081098359 PYYHYKXMJJZVKE-UHFFFAOYSA-N 459.358 5.480 50 10 JKGE Cc1ccc(NC(=O)/C(C#N)=C/c2ccc(Oc3ccc(C(F)(F)F)cc3[N+](=O)[O-])cc2)cc1 1083992026 LMNFTOOTUVXINE-SFQUDFHCSA-N 467.403 6.260 50 10 JKGE COc1ccc(Oc2ccc(C(F)(F)F)cc2[N+](=O)[O-])c(C=NNC(=O)c2ccc(Cl)cc2)c1 1084282575 JPQZGBRJHPOZTD-UHFFFAOYSA-N 493.825 5.832 50 10 JKGE O=C(NN=C(CSc1nc2ccccc2o1)c1cccc(Br)c1)c1ccccc1 1084385158 XRBXOOZECZWPFU-UHFFFAOYSA-N 466.360 5.517 50 10 JKGE Cc1c(C(=O)N2CCCC[C@H]2C)oc2c1C(=NNC(=O)c1ccc(-c3ccccc3)cc1)CCC2 1772747243 MLMZIRLVNILVDW-LJQANCHMSA-N 469.585 5.740 50 10 JKGE Cc1c(C(=O)NCCc2cccs2)oc2c1C(=NNC(=O)c1cccc3ccccc13)CCC2 1772749215 YFAISGDJAUADBP-UHFFFAOYSA-N 471.582 5.246 50 10 JKGE N#CC1=C(N)Oc2c(c(-c3ccccc3)nn2Cc2ccc(Cl)c(Cl)c2)[C@H]1c1ccc(O)cc1 1865684601 SWKLDSVWUIUNAX-QFIPXVFZSA-N 489.362 5.829 50 10 JKGE CCOc1cccc([C@H]2C(C#N)=C(N)Oc3c2c(-c2ccc(OC)cc2)nn3Cc2cccc(F)c2)c1 1865690733 ZTUYLFRBFCVHSJ-VWLOTQADSA-N 496.542 5.363 50 10 JKGE CCOc1c(OC)cccc1[C@@H]1C(C#N)=C(N)Oc2c1c(CC)nn2-c1ccc(Cl)c(Cl)c1 1865693006 KMZPJMNATDZVFR-HXUWFJFHSA-N 485.371 5.367 50 10 JKGE CCOc1c(OC)cccc1[C@H]1C(C#N)=C(N)Oc2c1c(C)nn2-c1ccc(Cl)c(Cl)c1 1865693742 QXMOVNKXWAAGDK-FQEVSTJZSA-N 471.344 5.113 50 10 JKGE CCn1nc(-c2ccccc2)c2c1OC(N)=C(C#N)[C@H]2c1ccc(OC(=O)c2ccccc2)cc1 1865704832 FRKALADHKPNRDY-HSZRJFAPSA-N 462.509 5.007 50 10 JKGE COc1ccc(-c2nn(Cc3ccccc3F)c3c2[C@H](c2cccc(F)c2)C(C#N)=C(N)O3)cc1 1865710744 GYUFGSZYSJJAJX-HSZRJFAPSA-N 470.479 5.103 50 10 JKGE CCc1ccc(-c2ccc(C(=O)NNC(=O)/C=C/c3cccc(OCc4ccccc4)c3)c(C)n2)cc1 1865758471 CAAQEQVOSHFSAC-XMHGGMMESA-N 491.591 5.673 50 10 JKGE Cc1nc(-c2ccc(Cl)cc2Cl)ccc1C(=O)N/N=C\c1ccc(Br)cc1 1865760634 HQZXQECEJCAHIF-MYKKPKGFSA-N 463.162 5.890 50 10 JKGE CSCC[C@H](NC(=O)C[C@@H](c1ccc(Cl)cc1)C(C)C)C(=O)Nc1ccc(SC#N)cc1 1866755939 PIJJOAMETDDWAL-YADHBBJMSA-N 490.094 5.919 50 10 JKGE N#CSc1ccc(NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@@H](c2ccc(Cl)cc2)C2CC2)cc1 1867002466 ZZIOGXZCAGYTQK-JWQCQUIFSA-N 490.028 5.773 50 10 JKGE CSCC[C@@H](NC(=O)C[C@H](CC(C)C)c1ccc(F)cc1)C(=O)Nc1ccc(SC#N)cc1 1867109063 LJLKIHSAIYBDEC-WMZHIEFXSA-N 487.666 5.795 50 10 JKGE C[C@H]1CN(c2cc(Nc3ccc(SC#N)cc3)nc(C(C)(C)C)n2)C[C@H](c2ccc(F)cc2)O1 1868342545 VRNKHAKBCNABRT-HTAPYJJXSA-N 477.609 6.196 50 10 JKGE Cc1ccc2cc3c(nc2c1)N(c1cc(Nc2ccc(SC#N)cc2)nc(-c2cccnc2)n1)CC3 1868565074 HDMWJHCMONEJJI-UHFFFAOYSA-N 487.592 6.406 50 10 JKGE N#C/C(=C(/O)c1ccc2c(c1)C(=O)N(C1CCCCC1)C2=O)c1nc(-c2ccccc2)cs1 1872748142 KDWSLKVGICEDBV-LNVKXUELSA-N 455.539 5.689 50 10 JKGE COc1ccc(/C=C(C(/O)=C(\C#N)c2nc(-c3ccc(F)c(C)c3)cs2)\c2ccccc2)cc1OC 1872749936 OKPTTWRHMZWXJS-VZZOHWGESA-N 498.579 7.308 50 10 JKGE Cc1cc(-c2csc(/C(C#N)=C(\O)[C@H](C)Oc3ccc(Cl)cc3Br)n2)ccc1F 1872750101 WPUGAJRMCJDOGE-BMOWLENRSA-N 493.785 6.934 50 10 JKGE COc1ccc(/C=C(C(/O)=C(\C#N)c2nc(-c3cccs3)cs2)\c2ccccc2)cc1OC 1872750723 PFYXGNLKQHUFJV-SGUBWDEDSA-N 472.591 6.922 50 10 JKGE CCOc1cc(/C=C(\C#N)c2nc(-c3cccc(Cl)c3)cs2)ccc1OCc1ccccc1 1872790269 WLCZLRVPBYXZAF-LPYMAVHISA-N 472.997 7.505 50 10 JKGE CCCCCCOc1ccc(/C=C(\C#N)c2nc(-c3cc(C)c(OC)cc3C)cs2)cc1OC 1872794805 XQYQXQLFBBPDKB-PXLXIMEGSA-N 476.642 7.467 50 10 JKGE Clc1csc(CC(CBr)(CBr)c2ccccc2Br)n1 1888442246 JUFSJCYTBZPNLE-UHFFFAOYSA-N 488.470 5.829 50 10 JKGE CC(C)[C@@H](CCl)N(Cc1ccccc1)C(=O)c1csc(Br)c1Br 1915279141 BRYIYRUTWKHFOR-CQSZACIVSA-N 479.665 6.179 50 10 JKGE O=S(=O)(c1ccc(Br)s1)N(Cc1ccccc1)C1(CBr)CCC1 1915774240 OHLGKSUTJFLLKC-UHFFFAOYSA-N 479.259 5.019 50 10 JKGE Cc1cc([C@@H](Br)c2cc(Br)cc3c2O[C@@H](C)C3)oc1Br 1917604342 PWVKZDYZHICNSJ-SDBXPKJASA-N 464.979 5.921 50 10 JKGE CC1CC(C)([C@@H](Br)c2c(Br)sc(Br)c2Cl)C1 1923068998 ZXTUPKUCDXFITO-QHCBANEHSA-N 451.449 6.799 50 10 JKGE Cc1cc(Br)sc1[C@@H](Cl)c1cc(Br)cc(Br)c1 1950208570 SJBAVUAOWCVGIY-NSHDSACASA-N 459.428 6.672 50 10 JKGE CC[C@H](C)N(Cc1ccccc1)S(=O)(=O)c1ccc(Br)c(CBr)c1 2009710048 DNVHXHXYJHDIHJ-AWEZNQCLSA-N 475.246 5.333 50 10 JKGE C[C@@H]1C[C@H]([C@H](Cl)c2c(Br)sc(Br)c2Br)CCO1 2011643858 HYBDQECKQZLFDS-KCRUCZTKSA-N 467.448 6.131 50 10 JKGE BrCc1cc(Br)ccc1N1C[C@H]2C[C@@H](C1)N(Cc1ccccc1)C2 2014348339 QQXFPEUEBXTPLT-LPHOPBHVSA-N 450.218 5.055 50 10 JKGE Brc1cc([C@@H](Br)[C@H]2CCn3ccnc3C2)c(Br)s1 2046633763 MPUKZLRRSAIDBX-CPCISQLKSA-N 455.013 5.168 50 10 JKGE C[C@@H](c1cccs1)N(Cc1ccccc1)S(=O)(=O)c1ccc(CBr)s1 2059283673 ADYMAYSHHDZROH-AWEZNQCLSA-N 456.452 5.657 50 10 JKGE CC(C)Cc1ccc([C@H](Br)c2ccc(F)cc2I)s1 2087332353 JZQFBFJJIBSESI-OAHLLOKOSA-N 453.158 6.175 50 10 JKGE CCC[C@H](CCBr)CNC(=O)c1cccc(Br)c1Br 2092339873 JRRJKASKLDSZQB-SNVBAGLBSA-N 456.016 5.143 50 10 JKGE Cc1sc(Br)cc1[C@H](Br)c1scc(C(F)(F)F)c1Br 2095697839 BKBCKHVCEFDIDJ-QMMMGPOBSA-N 499.009 7.146 50 10 JKGE C[C@@H]1C[C@H](CCOc2c(Br)cc(CBr)cc2Br)CO1 2103050662 OKIBLRMSNHXGMP-ZJUUUORDSA-N 457.000 5.300 50 10 JKGE Cc1c(Br)sc([C@H](Br)c2ccccc2C2CC2)c1Br 2104107086 BTCZOASDTHNBFZ-CYBMUJFWSA-N 465.048 6.943 50 10 JKGE Clc1ccc(I)c(C[C@H]2CCCCCCC[C@H]2Br)c1 2112487553 HOTUXKYGPHNZJS-IUODEOHRSA-N 455.605 6.611 50 10 JKGE FC(F)c1ccc([C@H](Cl)c2c(Br)sc(Br)c2Br)cc1 2116025517 NIMAZPBLJIFFBI-VIFPVBQESA-N 495.408 7.301 50 10 JKGE CO[C@H]1C[C@H]([C@H](Br)c2c(Cl)sc(Br)c2Cl)C[C@H]1OC 2118267071 GEWHPUJBZIQKME-LKHWLPBLSA-N 453.023 5.693 50 10 JKGE COC[C@@H]1CC[C@@H](Cc2cc(Cl)ccc2I)C[C@H]1Br 2127232133 VXZQYPAIPHHUEN-COPLHBTASA-N 457.577 5.313 50 10 JKGE Cc1cc(F)c(Cl)cc1[C@@H](Cl)c1cc(I)ccc1Br 2137052034 RDVLDNRNOMPBSH-CQSZACIVSA-N 473.938 6.483 50 10 JKGE CC12CC(COc3c(Br)cc(CBr)cc3Br)(CO1)C2 2138020250 FDZMNSIUEYFTJA-UHFFFAOYSA-N 454.984 5.054 50 10 JKGE Cc1c(Br)ccc([C@H](Cl)c2nn(C)c(Br)c2C)c1Br 2138867225 RLIOYHALLHPWSD-NSHDSACASA-N 471.418 5.653 50 10 JKGE COc1ccc([C@H](Br)c2ccc(Br)cc2I)c(C)c1 2142286581 FKDHKKPGSYNZLW-HNNXBMFYSA-N 495.980 5.855 50 10 JKGE Cc1sc(Br)cc1[C@H](Br)c1cc(Br)cc2c1O[C@@H](C)C2 2152047992 PCTOYPMJMLKWEI-WJWGPLDTSA-N 481.047 6.389 50 10 JKGE BrCc1cc(Br)c(OCC2CCC3(CC2)CC3)c(Br)c1 2168938168 VNCCTQNCACGVDS-UHFFFAOYSA-N 467.039 6.456 50 10 JKGE F[C@]12CCC[C@]1(CBr)CN(Cc1cc(Cl)ccc1I)C2 2176641776 VTAFNSSBPKNSJU-GJZGRUSLSA-N 472.567 5.034 50 10 JKGE C[C@@H](CCC(CBr)(CBr)c1ccc(Br)cc1)C(F)(F)F 2191533177 SFMRUCIQFNLFPU-JTQLQIEISA-N 480.988 6.455 50 10 JKGE Brc1cccc(Br)c1CN1CCCC12CCC(Br)CC2 2202271950 AJNZKJZMSNOESR-UHFFFAOYSA-N 466.055 5.884 50 10 JKGE COc1c(Cl)cc(Br)cc1[C@H](Cl)c1ccc(Cl)cc1Br 2202995706 CEPYTESONONBLH-CYBMUJFWSA-N 459.392 6.855 50 10 JKGE C[C@@H]1COc2ccc([C@@H](Cl)c3ccc(Br)cc3I)cc21 2207260929 RZVITCZESRGTCO-JDNHERCYSA-N 463.540 5.878 50 10 JKGE Fc1cc(Br)c(Br)cc1[C@@H](Cl)c1cc(Br)cs1 2213490730 WAFGLWKMDWLXPZ-LLVKDONJSA-N 463.391 6.503 50 10 JKGE Cc1sc([C@@H](Br)c2cc(C3CC3)c(Br)s2)cc1Br 2218970632 UGNXDFXJECYLKY-LBPRGKRZSA-N 471.077 7.005 50 10 JKGE CC(C)[C@@H](CBr)N(Cc1ccccc1)S(=O)(=O)Cc1cccc(Br)c1 2218987528 MOKJDSYPUYNIPT-LJQANCHMSA-N 489.273 5.201 50 10 JKGE CCc1sc(Br)cc1[C@@H](Br)c1sc(C)c(C)c1Br 2221825832 OXZNIKHBUZFAOT-GFCCVEGCSA-N 473.093 6.998 50 10 JKGE Cc1cc(Br)c([C@@H](Br)c2scc(Cl)c2Cl)c(C)c1Cl 2224312274 PNCTWSMSPMSBNK-SNVBAGLBSA-N 463.449 7.572 50 10 JKGE CCC[C@H](C(C)C)[C@@H](Br)c1c(Br)cc(C)c(Br)c1C 2227362270 MGZXIGYRNWJPOF-MLGOLLRUSA-N 455.072 7.337 50 10 JKGE Fc1ccc(Br)cc1[C@H](Br)Cc1ccc(Br)cc1Cl 2229149590 HSPDTHOXHHYNMM-GFCCVEGCSA-N 471.389 6.683 50 10 JKGE Fc1cc(Cl)c([C@H](Br)c2cc(Cl)sc2Cl)cc1Br 2258115268 ZRDCILYBIAANCA-JTQLQIEISA-N 453.385 7.094 50 10 JKGE CCOCc1cc(Br)c([C@@H](Br)c2cc(Br)co2)s1 2258118310 OJCKJWMBXBHYPY-NSHDSACASA-N 458.997 5.887 50 10 JKGE Cc1nsc(Br)c1[C@@H](Cl)Cc1cc(Br)cc(Br)c1 2263510401 NOVUELDEBAUXLP-JTQLQIEISA-N 474.443 6.262 50 10 JKGE Brc1cc([C@H](Br)c2ccc3scnc3c2)c(Br)s1 2264036780 FZIYNBYJCLNBPQ-LLVKDONJSA-N 468.033 6.367 50 10 JKGE CC(C)(C)OC(=O)NC[C@@H]1CC[S@@](=O)(=NCCCCCCCBr)C1(C)C 2277447571 ISGFDTCHZQFBOO-QMTYFTJSSA-N 453.487 5.123 50 10 JKGE COc1c(Br)cc(Cl)cc1[C@@H](Br)Cc1ccccc1Br 2279041283 QWNCXOXWXGSBKT-ZDUSSCGKSA-N 483.425 6.552 50 10 JKGE Cc1cc(Br)c([C@@H](Br)c2cc(Br)ccc2F)c(C)c1F 2279156234 NKFKROSBYZIXNQ-AWEZNQCLSA-N 468.961 6.591 50 10 JKGE Fc1cc([C@@H](Br)c2cc(F)c(Br)cc2Cl)c(F)cc1Br 2282898651 HRGKAAZLGHUATC-ZDUSSCGKSA-N 493.342 6.767 50 10 JKGE Cc1cc(OCc2cc(Cl)ccc2I)cc(C)c1CBr 2282927884 NWSZUDAFIPGMSJ-UHFFFAOYSA-N 465.556 6.035 50 10 JKGE C=CC[C@@]1(CBr)CCN(C(=O)c2cc(Br)cc(Br)c2)C1 2287747375 IFGQLPBPHOJWCV-HNNXBMFYSA-N 466.011 5.015 50 10 JKGE Fc1cc(F)c([C@@H](Br)Cc2cc(Br)cc(Br)c2)cc1Cl 2295328990 BQKWXLPBJUSGMX-NSHDSACASA-N 489.379 6.822 50 10 JKGE Cc1ccc(F)c([C@@H](Br)Cc2cc(Br)cc(Br)c2)c1F 2295336644 ZFUKGNKPGJNMBB-LBPRGKRZSA-N 468.961 6.477 50 10 JKGE CC(C)(F)[C@](C)(F)[C@@H](Br)c1ccc(OCc2ccccc2)cc1Br 2299488658 IQXQKBASAXPUAL-PKOBYXMFSA-N 462.172 6.940 50 10 JKGE CC[C@@]1([C@H](Br)c2cc(Br)ccc2OCc2ccccc2)CCCO1 2299503782 INKHFZDXDQFAAE-UXHICEINSA-N 454.202 6.423 50 10 JKGE O=S1(=O)CCC[C@H]1[C@H](Br)c1cc(Br)ccc1OCc1ccccc1 2299527399 HOBGYTHHNCRYPS-ZWKOTPCHSA-N 474.214 5.041 50 10 JKGE FC(F)(F)C1CC([C@H](Br)c2cc(Br)ccc2OCc2ccccc2)C1 2314455643 QGVLELFIMQANAY-JRSKDTKFSA-N 478.146 7.053 50 10 JKGE FC(F)(F)[C@@H]1CCc2c(OCc3ccccc3)ccc(Br)c2[C@H](Br)C1 2314484166 MYEABFWBVBNJSH-CZUORRHYSA-N 478.146 6.979 50 10 JKGE N#CC(=Cc1ccc(-c2ccc([N+](=O)[O-])cc2)o1)C(=O)Nc1ccc(Cl)c(C(F)(F)F)c1 2314486216 BYFOXLKFUNXKBF-UHFFFAOYSA-N 461.783 6.073 50 10 JKGE FC1(F)CCCCC[C@@H]1[C@H](Br)c1sc(Cl)cc1I 2316776970 INJNPSLBWJFJAK-XCBNKYQSSA-N 469.560 6.658 50 10 JKGE Cc1cc(Br)c(F)c(Br)c1[C@H](Cl)c1cc(Br)co1 2317428879 LTWPNHGANGLBKD-LLVKDONJSA-N 461.350 6.343 50 10 JKGE N#CC(=Cc1cccc(OC(=O)c2cc(C(F)(F)F)cc(C(F)(F)F)c2)c1)c1ccccc1F 2320510807 CYEKBNVTRXBIRW-UHFFFAOYSA-N 479.351 7.147 50 10 JKGE N#CC(=CN(Cc1ccccc1)Cc1ccccc1)C(=O)NC(c1ccccc1)c1ccccc1 2324825909 CBOQHJXMBYGYNC-UHFFFAOYSA-N 457.577 6.002 50 10 JKGE CCOC(=O)c1c(NC(=O)C(C#N)=Cc2ccccc2)sc(C(=O)OCc2ccccc2)c1C 2325311265 RWGHHBNEMIJRMK-UHFFFAOYSA-N 474.538 5.136 50 10 JKGE Fc1cc([C@@H](Br)c2cc(Br)c(Cl)s2)c(Cl)cc1Cl 2326684451 BKBWHVFHZQPGAG-SNVBAGLBSA-N 453.385 7.094 50 10 JKGE CCOc1cc(C=C(C#N)c2nc3cc(C)ccc3n2C)ccc1OCc1ccccc1Cl 2331018633 ZOBLACPHYPZMSG-UHFFFAOYSA-N 457.961 6.577 50 10 JKGE CC(C)N1C(=O)c2ccc(C(O)=C(C#N)c3nc(-c4ccc(-c5ccccc5)cc4)cs3)cc2C1=O 2331231562 CDSCTHBIQVIPAP-UHFFFAOYSA-N 491.572 6.431 50 10 JKGE N#CC(=C(O)C(=Cc1ccccc1)c1ccccc1)c1nc(-c2ccc(-c3ccccc3)cc2)cs1 2331231871 NHVCVNPKWPRXTF-UHFFFAOYSA-N 482.608 8.511 50 10 JKGE CC(C)(C)c1ccc(C=CC(O)=C(C#N)c2nc(-c3ccc(Cl)c(Cl)c3)cs2)cc1 2331311560 WBETWIFCFFXOSI-UHFFFAOYSA-N 455.410 7.920 50 10 JKGE COc1ccc(CC(O)=C(C#N)c2nc(-c3cc(C(C)(C)C)ccc3OC)cs2)cc1OC 2331349178 XUTYEUZPMUWNJE-UHFFFAOYSA-N 464.587 6.169 50 10 JKGE CC(=O)Oc1cccc(C(O)=C(C#N)c2nc(-c3ccc(Oc4ccccc4)cc3)cs2)c1 2331358638 XICGMJCYPOGGOT-UHFFFAOYSA-N 454.507 6.478 50 10 JKGE COc1c(Cl)cc(Cl)cc1-c1csc(C(C#N)=C(O)C=Cc2ccc(Cl)c(Cl)c2)n1 2331362628 IMSRSELJGDYGNP-UHFFFAOYSA-N 498.218 7.938 50 10 JKGE COc1c(C)cc(Cl)cc1-c1csc(C(C#N)=C(O)CCCN2C(=O)c3ccccc3C2=O)n1 2331391930 VZKHKVOUOHEWIL-UHFFFAOYSA-N 493.972 5.650 50 10 JKGE CCCOc1ccc(CC(O)=C(C#N)c2nc(-c3ccc(OC)c4ccccc34)cs2)cc1 2331405082 OKJNGJMYYMOHSX-UHFFFAOYSA-N 456.567 6.796 50 10 JKGE COc1cc(OC)c(-c2csc(C(C#N)=Cc3cc(OC)c(OC)c(OC)c3)n2)cc1Cl 2331471714 ASHCTPWWAJARSK-UHFFFAOYSA-N 472.950 5.571 50 10 JKGE COc1cc(OC)c(-c2csc(C(C#N)=Cc3cccc(Br)c3)n2)cc1Cl 2331471746 CQMZUJFDFJBRDT-UHFFFAOYSA-N 461.768 6.307 50 10 JKGE Cc1c(F)ccc([C@H](Cl)c2ccc(OCc3ccccc3)cc2Br)c1Cl 2338566475 NJROMXDIFLKAEN-OAQYLSRUSA-N 454.166 7.457 50 10 JKGE Fc1ccccc1[C@H](CI)OCc1cccc(I)c1 2341611366 IZSFJUSRJLHERK-HNNXBMFYSA-N 482.074 5.123 50 10 JKGE C[C@]1(C(F)(F)F)C[C@@]1(CCl)Cc1ccc(I)c(Br)c1 2349863858 CAWMCQNTIVTUGZ-NWDGAFQWSA-N 467.494 5.794 50 10 JKGE Cc1cc(Br)c(C)c([C@@H](Br)[C@@H]2O[C@H]3CC[C@H]2C3)c1Br 2352547009 BVKFXDKKJTYKTL-NBLIUIFLSA-N 453.012 5.832 50 10 JKGE FC(F)(F)c1ccccc1[C@@H](Cl)c1cc(Br)ccc1OCc1ccccc1 2361178524 OQXNCFHWQKSPAP-HXUWFJFHSA-N 455.701 7.375 50 10 JKGE CC(C)[C@@H](Oc1cc(Br)cc(I)c1)c1nc(CCl)cs1 2364267240 HURYPWDKPGGQER-CYBMUJFWSA-N 486.600 6.025 50 10 JKGE COc1c(Br)cc(C)c([C@@H](Cl)c2cc(C)c(Br)o2)c1Br 2365181995 YHILUAYCUZWQRA-LBPRGKRZSA-N 487.413 6.521 50 10 JKGE Cc1ccc(CBr)cc1NC(=O)c1ccc(Cl)cc1I 2365591279 FYMUZUYRXJKUBX-UHFFFAOYSA-N 464.528 5.400 50 10 JKGE O=C(N[C@H](CCBr)COCc1ccccc1)c1ccc2cc(Br)ccc2c1 2369434166 VAXOGXCXVHIUIV-OAQYLSRUSA-N 491.223 5.703 50 10 JKGE COc1c(CBr)cccc1OCc1cc(I)ccc1Cl 2380453023 NMRBAKYHRHXBFF-UHFFFAOYSA-N 467.528 5.427 50 10 JKGE CCc1cc(Br)c(OC)c([C@H](Cl)c2ccccc2I)c1 2381248186 UIGUNZRVXKCIAK-OAHLLOKOSA-N 465.556 5.953 50 10 JKGE Cc1ccc(NC(=O)/C(C#N)=C2/S[C@H](Cc3ccc(Cl)cc3)C(=O)N2c2ccc(F)cc2)cc1 33579572 JCBPSGINRFXOJK-QPQMVVSWSA-N 491.975 5.853 50 10 JKGE CCCCOc1ccc(/C=C(/C#N)C(=O)Nc2scc(-c3ccc(C)cc3)c2C(=O)OCC)cc1 33586590 VNGNTGQUSPSDSF-JWGURIENSA-N 488.609 6.625 50 10 JKGE CCc1ccc(/C=N\NC(=O)c2ccccc2NC(=O)c2ccccc2Br)cc1 35061850 IJPWXXSDTQPXQW-MYYYXRDXSA-N 450.336 5.028 50 10 JKGE COc1cc(CBr)cc(Br)c1OCc1ccccc1Br 36815514 CJPXTEMYHWGOBP-UHFFFAOYSA-N 464.979 5.694 50 10 JKGE COc1ccccc1[C@@H]1C(C#N)=C(N)Oc2cc(OC(=O)c3oc4ccc(C)cc4c3C)ccc21 38687292 BWGITCDGQMUQST-VWLOTQADSA-N 466.493 5.496 50 10 JKGE N#C/C(=C\c1ccc(-c2ccc(F)cc2)o1)C(=O)Nc1cc(C(F)(F)F)cc(C(F)(F)F)c1 39884889 JYTJYHLDCGZXBE-NTUHNPAUSA-N 468.328 6.669 50 10 JKGE Cc1c(C(=O)Nc2cccc3ccccc23)oc2c1/C(=N/NC(=O)c1cccc([N+](=O)[O-])c1)CCC2 40813038 FVTWDCOQHNWRCP-QUPMIFSKSA-N 482.496 5.372 50 10 JKGE CCCCNC(=O)/C(C#N)=C/c1ccc(OC(=O)/C=C/c2ccc(Cl)cc2Cl)c(OC)c1 40970273 SYZDDFYINBFONU-WKZRCPIQSA-N 473.356 5.444 50 10 JKGE COc1cccc(/C=C(/C#N)C(=O)Nc2cc(Cl)ccc2Cl)c1OCc1ccccc1Cl 59117362 VLWWPKYVUCQTPX-BOPFTXTBSA-N 487.770 6.780 50 10 JKGE O=C(N/N=C/c1ccc(OCc2cccc([N+](=O)[O-])c2)cc1)c1cc2cc(Br)ccc2o1 59303610 ARSOAFVFANPIMX-DHRITJCHSA-N 494.301 5.446 50 10 JKGE CC1(C)[C@@]2(C(Br)Br)CC[C@@]1(C(=O)N1CCCCCC1)[C@@H]2Br 100869246 UNDBQHMYNMESEK-RLCCDNCMSA-N 486.086 5.075 50 10 JKGE CCn1c2ccccc2c2cc(N/C=C(/C#N)c3nc(-c4cccc([N+](=O)[O-])c4)cs3)ccc21 102420468 IELIUSGUGZEHSU-SDXDJHTJSA-N 465.538 6.823 50 10 JKGE CCOC(=O)c1sc(N/C=C(\C#N)c2nc(-c3ccc(F)cc3)cs2)c(C(=O)OCC)c1C 102924525 KRXJEICRXZUHJP-RVDMUPIBSA-N 485.562 5.649 50 10 JKGE CC(=O)N/C(=C(\Cl)Sc1ccccn1)[P+](c1ccccc1)(c1ccccc1)c1ccccc1 109837773 VMOGJUZHUALPAP-RQZHXJHFSA-O 489.988 5.669 50 10 JKGE CCOc1ccc(Br)cc1[C@H](Br)c1ccc(Br)c(F)c1 109871528 FBRHXFFUQNKZPF-OAHLLOKOSA-N 466.970 6.234 50 10 JKGE Cc1sc(Br)cc1[C@H](Br)c1ccc(I)cc1 114635275 KKYFGVOHMTYDPK-GFCCVEGCSA-N 471.983 5.908 50 10 JKGE Brc1cc([C@@H](Br)c2ccc3c4c(cccc24)CC3)sc1Br 158960423 IZMVFKVLQZFIKW-INIZCTEOSA-N 487.054 7.009 50 10 JKGE Fc1cccc(Br)c1[C@@H](Br)c1csc2c(Br)cccc12 161222768 UYFGHNDPTBTHCJ-AWEZNQCLSA-N 479.006 7.050 50 10 JKGE Cc1ccc(Cl)cc1[C@H](Br)c1cc(Br)c(Br)s1 213824686 KYTIBSMKYHHUDW-NSHDSACASA-N 459.428 6.719 50 10 JKGE CC1=C(C#N)C(=O)N(Cc2ccc(C)cc2)C(=O)/C1=C\c1cn(-c2ccccc2)nc1-c1ccccc1 214375510 YRKGAPXRKLNOOV-PKAZHMFMSA-N 484.559 5.640 50 10 JKGE CCC(CC)[C@@H](Br)CNC(=O)c1cc(Br)cc(Br)c1 230655669 KNOCKSZLEIWLIT-ZDUSSCGKSA-N 456.016 5.141 50 10 JKGE Clc1ccc([C@@H](Br)Cc2cccc(Br)c2)c(Br)c1 236061111 XVVACBUAXBRLJX-ZDUSSCGKSA-N 453.399 6.544 50 10 JKGE COc1cc(C=NNC(=O)COc2ccc(Cl)cc2C)ccc1OC(=O)c1ccccc1Cl 252620738 MKWYKBBBVNLKAL-UHFFFAOYSA-N 487.339 5.059 50 10 JKGE CCC(=NNC(=O)c1cc(-c2cccc(Br)c2)nc2ccccc12)c1cc(O)ccc1O 254736661 NWEDYIBIKUBORX-UHFFFAOYSA-N 490.357 5.620 50 10 JKGE 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 256443546 MFEGXCLQSLHLPH-UBTSMVAFSA-N 453.406 5.217 50 10 JKGE CCc1cc(C)sc1[C@H](Cl)c1cc(Br)ccc1I 311062689 IXXNZQSEKGNLSR-CYBMUJFWSA-N 455.586 6.314 50 10 JKGE CCc1ccc(COc2c(Br)cc(Br)cc2CBr)nc1 380883191 KCHONRQCNNLTOJ-UHFFFAOYSA-N 463.995 5.643 50 10 JKGE COc1ccc(Br)cc1[C@H](Br)c1ccccc1OCc1ccccc1 385877291 BDMPVXSJHMUFSF-OAQYLSRUSA-N 462.181 6.521 50 10 JKGE CC(C)(C)[Si](C)(C)OCCN1CCN[C@H](c2cccc(CO[Si](C)(C)C(C)(C)C)c2)C1 616634364 QMEYBXUVKDNFHL-QHCPKHFHSA-N 464.843 6.177 50 10 JKGE C[C@H](Br)[C@@H]1CCCCN1C(=O)c1scc(Br)c1Br 688887561 PGHYFALTUMDMHV-CBAPKCEASA-N 460.029 5.051 50 10 JKGE CCc1nnc(COc2c(Br)cc(CBr)cc2Br)s1 702678614 MJBVLNSWWYMKII-UHFFFAOYSA-N 471.012 5.099 50 10 JKGE C[C@H]1Cc2cc(Br)cc([C@H](Br)c3nscc3Br)c2O1 720025303 LFKBJZFCRGJEAT-KGFZYKRKSA-N 468.008 5.476 50 10 JKGE COc1ccc(Br)cc1C=NNC(=O)c1ccc(CSc2ccccc2)cc1 1084175868 NPKVJMKGFJDAGG-UHFFFAOYSA-N 455.377 5.514 50 10 JKGE COc1cc(C)c(C=NNC(=O)c2ccc(-n3c(C)ccc3-c3ccccc3)cc2)cc1C(C)C 1084501358 ZWFFVPRZBFVHLK-UHFFFAOYSA-N 465.597 6.657 50 10 JKGE N#C/C(=C\c1cccn1-c1ccc(Br)cc1)C(=O)Nc1ccc(Br)cc1 1084630166 QSZXUBMAKHXCEN-WYMLVPIESA-N 471.152 5.548 50 10 JKGE Cc1ccccc1NC(=O)c1oc2c(c1C)C(=NNC(=O)Cc1coc3c(C)c(C)ccc13)CCC2 1772752065 TUBSRRLDPGDIRR-UHFFFAOYSA-N 483.568 5.911 50 10 JKGE CC(C)(C)c1ccc([C@H]2C(C#N)=C(N)Oc3c2c(-c2ccccc2)nn3-c2ccccc2Cl)cc1 1865681942 BHGWGNYTDQAXCU-DEOSSOPVSA-N 480.999 6.708 50 10 JKGE CCCc1nn(-c2ccc(Br)cc2)c2c1[C@H](c1ccc(C(C)(C)C)cc1)C(C#N)=C(N)O2 1865682134 GYZOLVPQQAYZJZ-JOCHJYFZSA-N 491.433 6.103 50 10 JKGE N#CC1=C(N)Oc2c(c(C(F)(F)F)nn2Cc2ccccc2)[C@@H]1c1ccc(Cl)cc1Cl 1865685506 JNSBTTANOYFPFB-MRXNPFEDSA-N 465.262 5.475 50 10 JKGE N#CC1=C(N)Oc2c(c(-c3ccccc3)nn2-c2cccc(Cl)c2)[C@H]1c1cc(Cl)ccc1O 1865689650 VLNBDTWKAYXGHK-NRFANRHFSA-N 475.335 5.770 50 10 JKGE CCOc1cccc([C@@H]2C(C#N)=C(N)Oc3c2c(-c2ccc(OC)cc2)nn3Cc2ccc(C)cc2)c1 1865689752 DVKWAUQFBSVZQP-AREMUKBSSA-N 492.579 5.532 50 10 JKGE CCCCCOc1ccc([C@@H]2C(C#N)=C(N)Oc3c2c(CC)nn3Cc2cccc(F)c2)cc1 1865694159 VAHAXPYFSKFSFQ-XMMPIXPASA-N 460.553 5.420 50 10 JKGE CCCCOc1ccc([C@H]2C(C#N)=C(N)Oc3c2c(CC)nn3-c2ccc(C)cc2)cc1OC 1865696792 KOBYDGORCFLEMP-DEOSSOPVSA-N 458.562 5.149 50 10 JKGE Cc1ccsc1[C@@H]1C(C#N)=C(N)Oc2c1c(-c1ccccc1)nn2Cc1ccc(Cl)cc1 1865699511 WAABPDCSVGOAOZ-HXUWFJFHSA-N 458.974 5.840 50 10 JKGE CCN(CC)c1ccc([C@H]2C(C#N)=C(N)Oc3c2c(-c2ccc(OC)cc2)nn3-c2ccccn2)cc1 1865701733 CZPWLWGXRDFKOO-VWLOTQADSA-N 492.583 5.007 50 10 JKGE COc1ccc([C@@H]2C(C#N)=C(N)Oc3c2c(-c2ccccc2)nn3-c2ccc(C)cc2)c(OC)c1 1865708339 UOEJXEZRPVFJRI-XMMPIXPASA-N 464.525 5.083 50 10 JKGE CC[C@@](C)(NC(=O)C[C@H](c1ccc(Cl)cc1)C(C)C)C(=O)Nc1ccc(SC#N)cc1 1866756231 POOICHLTUCJGBG-XUZZJYLKSA-N 458.027 5.966 50 10 JKGE COc1ccc([C@@H](C(=O)N[C@H](C(=O)Nc2ccc(SC#N)cc2)c2ccccc2)C(C)C)cc1 1866981961 YTEZJYFKSWPJLS-DQEYMECFSA-N 473.598 5.504 50 10 JKGE CCc1nc(Nc2ccc(SC#N)cc2)cc(N2CCCc3ccc(N4CCCC4)cc32)n1 1868278012 PFVJODSITRJPND-UHFFFAOYSA-N 456.619 6.040 50 10 JKGE CCOc1cc(/C=C(\C#N)c2cc3c(cc2[N+](=O)[O-])OCCO3)ccc1OCc1ccc(F)cc1 1872728739 QNQFJUXPCZRCFA-YBFXNURJSA-N 476.460 5.547 50 10 JKGE N#C/C(=C(/O)COc1cc(Cl)ccc1Cl)c1nc(-c2ccc3c(c2)OCCO3)cs1 1872750668 JRTBNSQUGNUQGQ-VKAVYKQESA-N 461.326 5.760 50 10 JKGE Cc1ccc(C(C)(C)C)cc1-c1csc(/C(C#N)=C(\O)CCCOc2cc(C)c(Cl)c(C)c2)n1 1872755765 FBULJVDCQDLPOV-BZZOAKBMSA-N 495.088 8.338 50 10 JKGE COc1ccc(-c2csc(/C(C#N)=C(\O)c3cccc(Br)c3)n2)c(OC)c1OC 1872759138 FUKBZGHPLNBVIE-SDXDJHTJSA-N 473.348 5.548 50 10 JKGE CCCOc1ccc(-c2csc(/C(C#N)=C/c3cccc(OC)c3OC)n2)cc1OCCC 1872790244 UPDKCCMPTSOALX-XSFVSMFZSA-N 464.587 6.469 50 10 JKGE N#C/C(=C\c1cc(Br)cc(Br)c1O)c1nc(-c2ccc(F)cc2)cs1 1872791379 GOATYYDBKIRYKG-LFYBBSHMSA-N 480.156 6.244 50 10 JKGE CCCCCCCOc1ccc(-c2csc(/C(C#N)=C/c3ccc(OCCC)cc3)n2)cc1 1872791506 LNJXAKBRCPUFHH-LYBHJNIJSA-N 460.643 8.012 50 10 JKGE O=S(=O)(c1ccc(CBr)cc1Cl)N(Cc1ccccc1)Cc1ccccc1 1882226389 LRRLOJMBFCEZLA-UHFFFAOYSA-N 464.812 5.626 50 10 JKGE Cc1nsc(Br)c1[C@@H](Br)c1cc(C2CC2)c(Br)s1 1912943409 VXRBJHRPFYEVGQ-JTQLQIEISA-N 472.065 6.400 50 10 JKGE C[C@H](CCBr)N(Cc1ccccc1)C(=O)c1cc(C(F)(F)F)ccc1Br 1915091471 XUVBEVAMAXMPMH-CYBMUJFWSA-N 493.161 6.284 50 10 JKGE CC(C)(CBr)N(Cc1ccccc1)Cc1ccc(I)cc1 1915749588 MULYBARVPFBGOF-UHFFFAOYSA-N 458.181 5.467 50 10 JKGE O=C(Cc1ccccc1Br)N(Cc1ccccc1)C1(CBr)CCC1 1915759395 CNABNVTXMRLRJJ-UHFFFAOYSA-N 451.202 5.338 50 10 JKGE Cc1c(Br)sc([C@@H](Br)c2ccc(F)c(F)c2)c1Br 1922955289 YBCAMKITVSRYRE-JTQLQIEISA-N 460.963 6.344 50 10 JKGE C[C@@H]1COCC[C@H]1[C@H](Br)c1c(Br)sc(Br)c1Cl 1923070763 DLCCIRQKCCIESN-JKMUOGBPSA-N 467.448 6.035 50 10 JKGE C[C@H](CCBr)N(Cc1ccccc1)C(=O)c1c(Cl)cccc1Br 1980599471 HWMXNKZTCLOTBG-CYBMUJFWSA-N 459.609 5.918 50 10 JKGE Cc1c(Br)sc([C@H](Br)CCCC(F)(F)F)c1Br 2022699203 QJCNKOZFRPDEGW-ZCFIWIBFSA-N 458.963 6.750 50 10 JKGE CCc1sc(Br)cc1[C@@H](Br)c1ccc(Br)cc1F 2030223379 UBEKUWYHAGWGBI-ZDUSSCGKSA-N 457.000 6.459 50 10 JKGE C[C@]1([C@H](Br)c2sc(Br)cc2Br)CCCCC1(F)F 2048973270 GBPUMSPQKVYAFO-GHMZBOCLSA-N 467.011 6.925 50 10 JKGE BrCc1ccc(N2CC[C@H]3CN(Cc4ccccc4)C[C@H]3C2)c(Br)c1 2049666170 ZFIWTQBRIUUFFQ-OALUTQOASA-N 464.245 5.302 50 10 JKGE Cc1nc([C@H](Br)c2cc(Cl)c(Br)cc2F)c(Br)s1 2050330448 CPXNYRZIWFYTER-SECBINFHSA-N 478.406 6.253 50 10 JKGE Cc1cc(Br)c(CBr)c(N2C[C@@H](C)N(Cc3ccccc3)C[C@@H]2C)c1 2053210864 BYVCMDFEYOFYTN-SJORKVTESA-N 466.261 5.752 50 10 JKGE COc1cc(F)c(Br)cc1[C@H](Br)c1cc(Br)sn1 2056492517 YXFDJCDJWYIBHL-NSHDSACASA-N 459.960 5.300 50 10 JKGE Cc1ccc(Cn2nc(CBr)c(I)c2C(F)(F)F)c(C)c1 2079251706 WYLKRDOHRBEVIV-UHFFFAOYSA-N 473.074 5.067 50 10 JKGE C[C@H](COc1c(Br)cc(Br)cc1CBr)P(C)(C)=O 2084154714 LFGKMTRTFJXWMF-MRVPVSSYSA-N 462.944 5.497 50 10 JKGE Clc1cc(Br)cc(COc2ccc(Br)cc2CBr)c1 2110529488 VZYPXUJTSBXMRZ-UHFFFAOYSA-N 469.398 6.339 50 10 JKGE Cl[C@@H](CCc1cccc(Br)c1Br)c1cccc(Br)c1 2113442899 WFGFAJQZVSWZJB-AWEZNQCLSA-N 467.426 6.887 50 10 JKGE CO[C@@H]1CC([C@@H](Br)c2c(Br)sc(Br)c2Cl)C[C@H]1OC 2118273544 YWCBJHDJPQFQCO-ZXFLCMHBSA-N 497.474 5.803 50 10 JKGE Fc1ccc(C(CBr)(CBr)Cc2cnsc2Br)cc1 2119234428 PPLDZRNNTPESSN-UHFFFAOYSA-N 472.015 5.315 50 10 JKGE COc1c(C)cc(Br)c(C)c1[C@H](Cl)c1cc(I)sn1 2120031775 KNAPOLOTFWILNN-GFCCVEGCSA-N 472.573 5.464 50 10 JKGE FC1(F)CCC[C@@H]2[C@H]([C@@H](Br)c3ccc(Br)cc3Br)[C@@H]21 2138870801 BVRPMCZANAXTNH-MGAJPHDKSA-N 458.966 6.329 50 10 JKGE BrCc1ccc(N2CCc3c(Br)cccc3C2)c(Br)c1 2149906409 VOPKKCHDOLQFTF-UHFFFAOYSA-N 460.007 5.669 50 10 JKGE COCc1cc(Br)c([C@@H](Br)c2ccsc2C(F)(F)F)s1 2157624364 JHXXXIQEDOKCPR-VIFPVBQESA-N 450.139 6.222 50 10 JKGE C[C@H]1C[C@@H](CCC(CBr)(CBr)c2ccc(Br)cc2)CO1 2159288041 RDVFQACODYTOSN-QWHCGFSZSA-N 469.055 5.682 50 10 JKGE C[C@H]1CC[C@H](CCC(CBr)(CBr)c2ccc(Br)cc2)O1 2161116473 QOOLCPIYZAYJSV-SWLSCSKDSA-N 469.055 5.824 50 10 JKGE BrC[C@@]12CCC[C@@H]1N(Cc1c(Br)cccc1Br)CCC2 2165245560 UXOJSEQNGFCDBP-HOTGVXAUSA-N 466.055 5.741 50 10 JKGE CC1(C)C[C@H](CBr)CN(C(=O)c2cc(Br)cc(Br)c2)C1 2172587565 WQOXFAJYKWWKNX-SNVBAGLBSA-N 468.027 5.095 50 10 JKGE BrCc1ccc2c(c1)CN(Cc1cc(Br)ccc1Br)C2 2175154644 KWRNJYQWDYYJKW-UHFFFAOYSA-N 460.007 5.622 50 10 JKGE COc1c(C)cc(Br)cc1[C@H](Br)c1cc(Cl)ccc1Br 2206569696 PQUJJSFAOMRURS-CQSZACIVSA-N 483.425 6.666 50 10 JKGE C[C@@H](Cl)C[C@@H]1CCCCN1C(=O)c1ccc(Br)cc1I 2207267499 GEKFLWMSXAOWMT-PWSUYJOCSA-N 470.576 5.066 50 10 JKGE CCOCc1cc(Br)c([C@H](Br)c2ccoc2Br)s1 2217983693 PSDRJNUPOMTAAY-SNVBAGLBSA-N 458.997 5.887 50 10 JKGE Cc1sc(Br)c(C)c1[C@@H](Cl)c1cccc(Br)c1Br 2218792716 CMWQIICZHQACTQ-LBPRGKRZSA-N 473.455 6.981 50 10 JKGE Cc1cc(Br)c([C@@H](Br)c2ccc(Cl)s2)c(C)c1Br 2220151775 RPZUVWBIWFODIL-ZDUSSCGKSA-N 473.455 7.028 50 10 JKGE Cc1cc(Br)c([C@H](Cl)c2sccc2Br)c(C)c1Br 2220157660 RQKRODHNFGKOER-LBPRGKRZSA-N 473.455 6.981 50 10 JKGE COc1ccc([C@H](Br)c2ccc(C)c(I)c2)cc1Br 2224621520 FBNYKXDUHPOGJI-HNNXBMFYSA-N 495.980 5.855 50 10 JKGE COc1c(C(C)C)cc(Br)cc1[C@@H](Cl)c1sccc1I 2233166875 NNKLOZXEMUUHNM-CYBMUJFWSA-N 485.612 6.575 50 10 JKGE C[C@@H](Cl)c1nc2cc(Br)c(Br)cc2n1C[C@H]1C[C@@H](Br)C1 2234066156 LSWXJCKLSMISHL-HLTSFMKQSA-N 485.445 6.035 50 10 JKGE Cn1nc([C@H](Br)c2c(F)cc(F)c(Br)c2F)c(Cl)c1Cl 2236112224 YEPKXBOZJDVXJR-SSDOTTSWSA-N 452.883 5.391 50 10 JKGE BrC[C@@H]1C[C@@H]2CCCC[C@@H]2N1Cc1c(Br)cccc1Br 2240672610 GKCYXWIWYCYECM-MKBNYLNASA-N 466.055 5.740 50 10 JKGE Cc1ccc(Br)c([C@@H](Br)c2sc(C)c(C)c2Br)c1 2253503499 FNYWBQMKCFNASE-CYBMUJFWSA-N 453.037 6.683 50 10 JKGE COc1ccc([C@@H](Br)c2scc(C)c2Cl)cc1I 2257366671 DMDGMNKEQGWUPP-LLVKDONJSA-N 457.558 5.807 50 10 JKGE Clc1cc(Br)c([C@@H](Br)c2cocc2Br)c(Cl)c1Cl 2258146235 CSDOHRLNKGJPNK-VIFPVBQESA-N 498.223 7.249 50 10 JKGE COc1cc(C)c(Br)c(C)c1[C@H](Br)c1cscc1Br 2269602359 BZHBSXXAKKBSKN-CQSZACIVSA-N 469.036 6.383 50 10 JKGE Brc1coc([C@H](Br)c2cc3c(cc2Br)OCCO3)c1 2270492788 WAZFOVQJRYKEBR-CYBMUJFWSA-N 452.924 5.060 50 10 JKGE COc1cc(Br)c([C@H](Cl)c2c(F)cccc2I)cc1C 2282888007 JJVFOVGKIYKXRS-HNNXBMFYSA-N 469.519 5.838 50 10 JKGE Cc1cc(C)c([C@@H](Br)Cc2cc(Br)cc(Br)c2)c(C)c1 2295265642 TXHCDGCVZIVALK-INIZCTEOSA-N 461.035 6.816 50 10 JKGE CC(C)CCOc1ccc(-c2nn(-c3ccccc3)cc2C=C(C#N)C(=O)NC[C@H]2CCCO2)cc1 2296539383 SKJBBFNOQZMMIH-HHHXNRCGSA-N 484.600 5.166 50 10 JKGE Cc1ccc(-n2c(C)cc(C=C(C#N)C(=O)OCc3cc(=O)n4c(n3)sc3ccccc34)c2C)cc1 2297340413 ULLKGHKISCZRPL-UHFFFAOYSA-N 494.576 5.276 50 10 JKGE Cc1cc(Cl)ccc1OCCn1cc(C=C(C#N)c2ccc([N+](=O)[O-])cc2)c2ccccc21 2297499466 GZHWDDWBGSKRSD-UHFFFAOYSA-N 457.917 6.655 50 10 JKGE COc1cc(C=C(C#N)C(=O)Nc2ccc([N+](=O)[O-])cc2Cl)ccc1OCc1ccccc1 2297551324 ANAKIYNJAADPAS-UHFFFAOYSA-N 463.877 5.381 50 10 JKGE C[C@@H]1CCC[C@H]([C@H](Br)c2cc(Br)ccc2OCc2ccccc2)C1 2299522426 KYMOSWAJKCODBI-KUDFPVQQSA-N 452.230 7.290 50 10 JKGE CC(C)C[C@@H]1C[C@@H]1[C@@H](Br)c1cc(Br)ccc1OCc1ccccc1 2299527068 DIISEPOTUBSRQO-PLMTUMEDSA-N 452.230 7.146 50 10 JKGE Fc1cc(Cl)c(Br)cc1[C@H](Br)c1cnsc1Br 2300278985 QNEDVNKCXBHYML-VIFPVBQESA-N 464.379 5.945 50 10 JKGE COc1cc(C=C(C#N)C(=O)Nc2ccc(C)c(C)c2)ccc1OCc1ccc(Cl)c(Cl)c1 2313510940 FLBDOGBTUKDDDQ-UHFFFAOYSA-N 481.379 6.744 50 10 JKGE N#CC(=Cc1ccc(-c2cc([N+](=O)[O-])c(Cl)cc2Cl)o1)C(=O)N1CCN(c2ccccc2)CC1 2313567125 GTPVGUNFCAEWPC-UHFFFAOYSA-N 497.338 5.417 50 10 JKGE COc1ccc(CNC(=O)C(C#N)=Cc2cn(Cc3ccc(Cl)c(Cl)c3)c3ccccc23)cc1 2313670652 NBPNCXOXIYNPRD-UHFFFAOYSA-N 490.390 6.228 50 10 JKGE N#CC(=Cc1ccc(OC(=O)c2ccc(Cl)cc2)cc1)C(=O)Nc1cc([N+](=O)[O-])ccc1Cl 2313724713 VZLXHGSUNSHDEV-UHFFFAOYSA-N 482.279 5.666 50 10 JKGE Brc1cc(OCc2ccccc2)ccc1[C@@H](Br)C12CCC(CC1)OC2 2314447528 ZFNLBFHCPZYRND-ZWVUXNTGSA-N 466.213 6.423 50 10 JKGE Fc1ccc(Cl)c([C@@H](Br)c2ccc(OCc3ccccc3)cc2Br)c1 2314448535 IUTBFBPWZZVZCU-FQEVSTJZSA-N 484.590 7.305 50 10 JKGE Cc1ccccc1Oc1nc2ccccn2c(=O)c1C=C(C#N)C(=O)Nc1cccc(C(F)(F)F)c1 2314533626 SHNWQKMOJFUOKB-UHFFFAOYSA-N 490.441 5.360 50 10 JKGE COc1ccc(N2C(=O)[C@H](Cc3ccc(C)cc3)SC2=C(C#N)C(=O)N[C@@H](C)c2ccccc2)cc1 2314592928 DRHOROZTFBNNQK-FNZWTVRRSA-N 497.620 5.307 50 10 JKGE CCCCCOc1ccc(C=C2C(=O)N(Cc3ccc(C)cc3)C(=O)C(C#N)=C2C)cc1OCC 2314616591 FGEYGZIQOCXLST-UHFFFAOYSA-N 472.585 5.755 50 10 JKGE COc1ccc(C=CC(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@H]3c2ccc(Cl)cc2Cl)cc1 2314634120 OAYQLNAATBSMHU-VWLOTQADSA-N 493.346 5.839 50 10 JKGE CCOc1ccc(C=C(C#N)C(=O)Nc2ccc(-c3nc4ccc(C)cc4s3)cc2)cc1OC 2314728870 OWEORLZYYDASQD-UHFFFAOYSA-N 469.566 6.225 50 10 JKGE CCCOc1ccc(C=C(C#N)C(=O)Nc2sc3c(c2C(=O)OCC)CC[C@@H](C(C)(C)C)C3)cc1 2314737845 YRBTXVKNGQFFMQ-HXUWFJFHSA-N 494.657 6.410 50 10 JKGE CCCCNC(=O)C(C#N)=Cc1ccc(OC(=O)CCCOc2ccc(Cl)cc2Cl)cc1 2314785781 MEQQSLHDMANQHT-UHFFFAOYSA-N 475.372 5.581 50 10 JKGE COc1cc([C@H](Br)c2c(Cl)sc(Br)c2Cl)sc1Cl 2317954383 BKIVDJDMMZKWIL-LURJTMIESA-N 471.450 7.025 50 10 JKGE CCC(CC)(CBr)COCc1cc(I)ccc1Br 2318981578 CUVHQKMCNGOBBF-UHFFFAOYSA-N 490.017 5.772 50 10 JKGE CC(=O)Nc1ccc(NC(=O)C(C#N)=CNc2cc(C(F)(F)F)cc(C(F)(F)F)c2)cc1 2324178697 ZTBOAQGNNOGTDI-UHFFFAOYSA-N 456.346 5.141 50 10 JKGE COc1cccc(C=C(C#N)c2ccc(C(=O)OC(C)C)o2)c1OCc1c(Cl)cccc1Cl 2331049733 NPSOYYXCCOZRKF-UHFFFAOYSA-N 486.351 6.803 50 10 JKGE COc1ccc(-c2csc(C(C#N)=C(O)c3cc([N+](=O)[O-])cc([N+](=O)[O-])c3C)n2)cc1C 2331260201 OXAPUNVMOIDIEP-UHFFFAOYSA-N 452.448 5.202 50 10 JKGE COc1c(C)cc(C)cc1-c1csc(C(C#N)=C(O)c2ccc3c(c2)C(=O)N(CC(C)C)C3=O)n1 2331371961 XDESSBDBAVTCSO-UHFFFAOYSA-N 487.581 5.637 50 10 JKGE COc1ccc(-c2csc(C(C#N)=C(O)[C@H](C)Oc3ccc(Cl)cc3Cl)n2)c2ccccc12 2331408330 YOPWFXMMJMRDFR-AWEZNQCLSA-N 497.403 7.539 50 10 JKGE Cc1cc(Br)c([C@@H](Br)C[C@@H]2CC[C@@H]3C[C@H]23)c(C)c1Br 2333709217 XUZAUTRTHPTUOA-UHXUPSOCSA-N 451.040 6.701 50 10 JKGE CC(F)(F)[C@@H]1C[C@@H]1[C@H](Br)c1c(Cl)cc(Br)c(F)c1Br 2337095594 CDCSTPUMBRDBDS-ZDEZVYLVSA-N 485.363 6.731 50 10 JKGE Brc1cc(Br)cc(C[C@H](Br)C[C@@H]2CC[C@H]2C2CC2)c1 2342329166 FMOOVYGPBMZTEJ-XEZPLFJOSA-N 451.040 6.344 50 10 JKGE CC(C)c1nc(Br)c(Br)n1CC1(CBr)CC(C)(C)C1 2345007017 VEXYWDONMMEOKY-UHFFFAOYSA-N 457.048 5.733 50 10 JKGE Cc1cccc(OCc2ccc(I)c(Br)c2)c1CBr 2349812645 YMXBVANWUVMJEY-UHFFFAOYSA-N 495.980 5.836 50 10 JKGE CC(C)C[C@H](CBr)CN=[S@](C)(=O)C[C@@H](NC(=O)OC(C)(C)C)C(C)(C)C 2353825200 ARGZLQBTQRHBNC-KVUUWBKYSA-N 455.503 5.081 50 10 JKGE F[C@@]12CCC[C@]1(CBr)CN(Cc1ccc(Cl)c(I)c1)C2 2362370497 IEAGPSNBRYCPBR-LSDHHAIUSA-N 472.567 5.034 50 10 JKGE COc1c(Br)cc(C)c([C@H](Br)[C@H]2C[C@H]3CC[C@H]2C3)c1Br 2365187565 BNNFGLLGMNUBLW-AYGWYOGXSA-N 467.039 6.401 50 10 JKGE Cc1cc(Br)c(F)c(Br)c1[C@@H](Br)[C@H]1CC12CCCCC2 2365188836 ORORQGSSDHDRCX-MFKMUULPSA-N 469.030 7.066 50 10 JKGE Cc1cc(Br)c(F)c(Br)c1[C@@H](Br)[C@H]1CC12CC(F)(F)C2 2365193081 GBOTYICNXGDFII-XCBNKYQSSA-N 476.956 6.531 50 10 JKGE COc1ccc([C@@H](Cl)c2ccc(Cl)cc2I)c(Cl)c1Cl 2365599865 XYKMXGFEUSPUBH-LBPRGKRZSA-N 461.941 6.588 50 10 JKGE O=C(N[C@H](CCCl)COCc1ccccc1)c1ccc(Br)cc1C(F)(F)F 2369676740 BJGCFMBUEQVVAX-OAHLLOKOSA-N 464.709 5.412 50 10 JKGE ClC[C@@H](Cc1ccc(I)c(Br)c1)Cc1ccccc1Cl 2377351497 CQVMEDQTAHMZRI-LBPRGKRZSA-N 484.002 6.347 50 10 JKGE COc1cc(/C=C(\C#N)c2ccc([N+](=O)[O-])cc2)c(Br)cc1OCc1cccc(F)c1 2846876 PDHLQPSLLXXMLJ-VCHYOVAHSA-N 483.293 6.148 50 10 JKGE O=C(COc1ccc(Cl)cc1Br)N/N=C/c1ccc(OCc2ccccc2)cc1 3162820 JLDUQKWZYSPCPO-DHRITJCHSA-N 473.754 5.211 50 10 JKGE CCSc1sc(CC)cc1[C@H]1C(C#N)=C(N)N(c2ccccc2F)C2=C1C(=O)CC(C)(C)C2 9982033 KSHWCLJFGUISEA-QFIPXVFZSA-N 481.662 6.502 50 10 JKGE O=C(NNC(=O)c1sc2ccccc2c1Cl)c1ccccc1OCCc1ccccc1 10508989 BMTGDWLMONITPE-UHFFFAOYSA-N 450.947 5.251 50 10 JKGE N#C/C(=C/c1ccc(C(F)(F)F)cc1)c1ccc(OC(=O)c2sc3ccccc3c2Cl)cc1 12339337 JHUBCUMULRYVFV-LGMDPLHJSA-N 483.898 7.857 50 10 JKGE CCCCCOc1ccc(C(=O)NNC(=O)COc2ccc3ccccc3c2Br)cc1 14029476 MKTKDQKKLZZZSQ-UHFFFAOYSA-N 485.378 5.011 50 10 JKGE COc1cccc2cc(-c3nn(-c4ccccc4)cc3/C=C(\C#N)C(=O)NCCc3ccccc3)oc12 33515893 OHSNZJQCQRMUJO-HAVVHWLPSA-N 488.547 5.560 50 10 JKGE CCCOc1cccc(-c2nn(-c3ccccc3)cc2/C=C(\C#N)C(=O)NCc2ccccc2)c1 35446617 XDKDCGPGKIQLQK-JJIBRWJFSA-N 462.553 5.551 50 10 JKGE CCCCOc1ccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)COc4cccc(C)c4)ccc32)cc1 38650807 CZPLKGSYUVSWQU-MUUNZHRXSA-N 484.552 5.377 50 10 JKGE Cc1cccc(C)c1OCC(=O)Oc1ccc2c(c1)OC(N)=C(C#N)[C@H]2c1c(F)cccc1Cl 38680370 KXSXMNNJXUSPDL-QHCPKHFHSA-N 478.907 5.299 50 10 JKGE CCCOc1cccc(C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@H]3c2ccc(OCC)cc2)c1 38685894 IFJNARJVGGAHAD-SANMLTNESA-N 470.525 5.311 50 10 JKGE COc1ccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4cc(Cl)c(OC)c(Cl)c4)ccc32)cc1 38687388 OYVUIPMEEHBEPU-JOCHJYFZSA-N 497.334 5.448 50 10 JKGE CCOC(=O)c1c(NC(=O)/C(C#N)=C/c2ccc(-c3ccccc3Cl)o2)sc(C)c1C 39884970 DWIAKTWWYOAZQW-RVDMUPIBSA-N 454.935 6.001 50 10 JKGE COc1ccccc1C(=O)N/N=C1\CCCc2oc(C(=O)Nc3ccc(Cl)cc3C)c(C)c21 40813157 QZIUJSZAGBUDEI-TURZUDJPSA-N 465.937 5.281 50 10 JKGE Cc1c(C(=O)Nc2ccc(Br)cc2)oc2c1/C(=N/NC(=O)Cc1ccccc1)CCC2 40815840 VATYRFPLJKRXMB-ZXVVBBHZSA-N 480.362 5.002 50 10 JKGE Cc1c(C(=O)Nc2ccc(F)cc2F)oc2c1/C(=N/NC(=O)c1ccc(-c3ccccc3)cc1)CCC2 40822804 XCKSIZORSPZKIH-IWBSIUBASA-N 499.517 6.256 50 10 JKGE CC1=CC(/C=N\NC(=O)CC[C@H](O)c2ccccc2)=C(C)[C@H]1c1ccc(OCc2ccccc2)cc1 58890584 IRNRIQQPEMIKLQ-PAAUTSHGSA-N 480.608 6.241 50 10 JKGE CCOc1ccc([C@@H](O)CCC(=O)N/N=C\c2cn(Cc3ccc(C)cc3)c3ccccc23)cc1 58894792 WEMJFYVHXLZXPJ-INQTWUCUSA-N 469.585 5.361 50 10 JKGE CCOc1ccc(N/C=C(\C#N)c2nc(-c3cc4cc(Br)ccc4oc3=O)cs2)cc1 100247346 DWMHKMSRGZDJCB-NTCAYCPXSA-N 494.370 6.054 50 10 JKGE CC1=C(C#N)C(=O)N(Cc2ccccc2Cl)C(=O)/C1=C/c1ccc(-c2cccc(Cl)c2)o1 101340833 RHJMVMBEVINYJD-UDWIEESQSA-N 463.320 6.046 50 10 JKGE O=C(N/N=C\c1ccc(-n2nc(-c3ccccc3)cc2-c2ccccc2)cc1)c1ccc(O)cc1 169886630 JUSWKQOJMRALSO-COEJQBHMSA-N 458.521 5.676 50 10 JKGE CCCCCCOc1ccc(/C=C(/C#N)C(=O)Nc2ccc(OCCCC)cc2)cc1OC 206234194 QFAOLQQDQPBYAE-PYCFMQQDSA-N 450.579 6.379 50 10 JKGE CC1=C(C#N)C(=O)N(C(C)C)C(=O)/C1=C\c1cn(-c2ccccc2)nc1-c1c(C)cc(C)cc1C 214247477 XWOBISGMAHUGPE-OYKKKHCWSA-N 464.569 5.465 50 10 JKGE Cc1cc(C)c(N/C=C(/C#N)C(=O)N2CCN(C(c3ccccc3)c3ccccc3)CC2)c(C)c1 216492470 BXVXNZLGRUGBOH-MEFGMAGPSA-N 464.613 5.365 50 10 JKGE COc1ccc([C@H](Br)c2ccc(I)c(Cl)c2)cc1Cl 232342571 CMQHGQYDPLPBPS-CQSZACIVSA-N 471.947 6.091 50 10 JKGE CC(C)Oc1ccc([C@H](Br)c2ccc(I)c(Cl)c2)cc1 232343244 XXXRBIRRPYDCQR-INIZCTEOSA-N 465.556 6.216 50 10 JKGE CN1C(=O)Cc2cc([C@H](Br)c3cc(Br)sc3Br)ccc21 234337501 VDMZVSYIUMWQEO-ZDUSSCGKSA-N 480.019 5.276 50 10 JKGE Clc1ccc([C@@H](Cl)c2cc(Br)ccc2Br)cc1Br 236040346 SUILVFFTBWIOFR-CYBMUJFWSA-N 473.817 6.956 50 10 JKGE CCCC[C@H](CC)CN(C(=O)CCl)[C@H](C(=O)N[C@@H]1CCCC[C@H]1C)c1ccc(Cl)cc1 252586072 NGFWIFRHMBNPQN-PDXXHEQOSA-N 469.497 6.360 50 10 JKGE COc1cc(C=NNC(=O)c2cc(-c3cc(C)ccc3C)nc3ccccc23)cc(OC)c1OC 252599927 DMXKQRCPIOUJFF-UHFFFAOYSA-N 469.541 5.308 50 10 JKGE O=C(CSc1nc2ccccc2s1)NN=Cc1ccccc1OCc1ccccc1Cl 254288740 BINPZMLFHYMDHA-UHFFFAOYSA-N 468.003 5.771 50 10 JKGE O=C(NN=Cc1cn(Cc2c(F)cccc2Cl)nc1-c1ccccc1)c1ccccc1Cl 254339466 CBQFIRQNFQGDEC-UHFFFAOYSA-N 467.331 5.808 50 10 JKGE O=C(Cc1cccc2ccccc12)NN=Cc1ccc(OC(=O)c2cccc3ccccc23)cc1 254607927 RHSFKAIRLGLNNP-UHFFFAOYSA-N 458.517 5.905 50 10 JKGE Cc1cccc(C(=O)Oc2ccc3ccccc3c2C=NNC(=O)c2cccc3ccccc23)c1 254876417 LDYDOOCCRYHLKE-UHFFFAOYSA-N 458.517 6.285 50 10 JKGE Brc1cc2c(cc1[C@@H](Br)c1ccccc1OCc1ccccc1)OCCO2 381024932 USSVPQMZCZTHGH-QFIPXVFZSA-N 490.191 6.284 50 10 JKGE COc1ccc([C@@H](Br)c2cccc(OCc3ccccc3)c2)c(Br)c1 381152813 BLRGPYOBNBOEGY-NRFANRHFSA-N 462.181 6.521 50 10 JKGE BrCc1ccc(N2CCC3(CCN(Cc4ccccc4)CC3)C2)cc1Br 381922287 VEQVGVHRUAYDFA-UHFFFAOYSA-N 478.272 5.837 50 10 JKGE O=C(OCc1ccccc1)N1C[C@H](c2ccc(Br)cc2)[C@@H](CBr)C1 382732069 UZCLACVGROIGEO-FUHWJXTLSA-N 453.174 5.196 50 10 JKGE CC(C)(C)OC(=O)NCCN1CCOCC[C@@H]1c1ccccc1CCO[Si](C)(C)C(C)(C)C 616599910 ZAIWLJYCXRENDS-HSZRJFAPSA-N 478.750 5.539 50 10 JKGE BrCC(CBr)(CCOC1CCCC1)c1ccc(Br)cc1 701354350 NGQYQGIRWFAPMD-UHFFFAOYSA-N 469.055 5.826 50 10 JKGE C[C@@]12CN(Cc3ccccc3)C[C@@]1(C)CN(c1ccc(F)c(Cl)c1CBr)C2 705960859 CPUBADVGWMPJSD-VXKWHMMOSA-N 451.811 5.722 50 10 JKGE C[C@H]1Cc2cc(Br)cc([C@H](Cl)c3sccc3I)c2O1 720133422 RYQYSTCTLOMQMX-MADCSZMMSA-N 469.569 5.767 50 10 JKGE O=C(Nc1ccc(CBr)cc1)c1ccc(I)c(Br)c1 721509178 KIKKVLUNLDJDLR-UHFFFAOYSA-N 494.952 5.201 50 10 JKGE COc1ccc(C(=O)NN=Cc2c(Br)c(C)n(-c3ccc(C)c(C)c3)c2C)cc1 1084079967 HSRSBXQOUHKSLP-UHFFFAOYSA-N 454.368 5.246 50 10 JKGE COc1cc(C=NNC(=O)CC[C@H](O)c2ccccc2)ccc1OCc1ccc(Cl)cc1Cl 1084095435 GKOUOJFJGSRYOH-QFIPXVFZSA-N 487.383 5.545 50 10 JKGE O=C(c1ccccc1Br)N(N=Nc1cccc([N+](=O)[O-])c1)c1cccc([N+](=O)[O-])c1 1084097706 RRBCYZDQVFDVNP-UHFFFAOYSA-N 470.239 5.611 50 10 JKGE O=C(CSc1nc2ccccc2[nH]1)NN=Cc1ccccc1OCc1ccc(Cl)cc1 1084109284 VKNZYBSUPKZWIW-UHFFFAOYSA-N 450.951 5.038 50 10 JKGE O=C(NN=Cc1cc(Cl)c(O)c(Br)c1)c1cc2cc(Br)ccc2o1 1084356190 HYVNMOUEKNGWTA-UHFFFAOYSA-N 472.520 5.081 50 10 JKGE O=C(OCc1ccccc1)N1C[C@H](CI)[C@H](c2ccccc2OC(F)F)C1 1614626544 INXZLUBALKGHSL-DOTOQJQBSA-N 487.284 5.075 50 10 JKGE CCc1ccc(OC(=O)c2oc3c(c2C)C(=NNC(=O)c2ccc(Cl)cc2)CCC3)cc1 1772744497 YJWMRNXGOBZEST-UHFFFAOYSA-N 450.922 5.493 50 10 JKGE CCCCCN1C(=O)C(=NNC(=O)COc2ccc(C(C)C)cc2)c2cc(Br)ccc21 1772752514 WRUROAYAZLHVFP-UHFFFAOYSA-N 486.410 5.009 50 10 JKGE N#CSc1ccc(NC(=O)Nc2ncccc2OCC(=O)Nc2cccc(C(F)(F)F)c2)cc1 1858830410 PSJDNGHCZNAKLO-UHFFFAOYSA-N 487.463 5.335 50 10 JKGE N#CSc1ccc(NC(=O)Oc2ccc(CNC(=O)c3ccc(Br)cc3)cc2)cc1 1858896208 NFPFNANADNOEEN-UHFFFAOYSA-N 482.359 5.563 50 10 JKGE N#CC1=C(N)Oc2c(c(C(F)(F)F)nn2-c2cccc3ccccc23)[C@@H]1c1ccc(Cl)cc1 1865684459 YTCSGMAOJLNYNJ-LJQANCHMSA-N 466.850 5.916 50 10 JKGE C=CCOc1ccccc1[C@H]1C(C#N)=C(N)Oc2c1c(-c1ccc(OC)cc1)nn2Cc1ccccc1 1865691503 UINUJWFFZGWAHU-SANMLTNESA-N 490.563 5.390 50 10 JKGE CCc1nn(-c2ccc(Cl)cc2)c2c1[C@H](c1cc(Br)ccc1F)C(C#N)=C(N)O2 1865702312 SEQCLPXPSZEZCC-GOSISDBHSA-N 473.733 5.208 50 10 JKGE CCc1ccc([C@@H]2C(C#N)=C(N)Oc3c2c(-c2ccccc2)nn3-c2cccc3ccccc23)cc1 1865708872 IAQVDDWGYLJTNV-HHHXNRCGSA-N 468.560 6.473 50 10 JKGE CCCOc1ccc(/C=C/C(=O)NNC(=O)c2ccc(-c3ccc(Cl)cc3Cl)nc2C)cc1 1865759886 XBVCVEPKPXMCAP-AWNIVKPZSA-N 484.383 5.627 50 10 JKGE CCCC[C@@H](NC(=O)[C@@H](c1ccc(Cl)cc1)C1CC1)C(=O)Nc1ccc(SC#N)cc1 1867002490 SKHSJBHFYCWLNQ-FGZHOGPDSA-N 456.011 5.720 50 10 JKGE COc1cc2c(cc1OC)N(c1cc(Nc3ccc(SC#N)cc3)nc(-c3ccccc3C)n1)CC2 1868301341 OLUZZSNXAGFQOR-UHFFFAOYSA-N 495.608 6.480 50 10 JKGE Cc1oc2cc(OCc3ccc(CCl)cc3)ccc2c(=O)c1-c1ccc(Cl)c(Cl)c1 1871436831 RXLFKJIYFGVNCR-UHFFFAOYSA-N 459.756 7.393 50 10 JKGE N#C/C(=C(/O)c1c(Cl)ccc(Cl)c1Cl)c1nc(-c2ccc(Cl)cc2Cl)cs1 1872745244 ZHBNCHDBMOQBDC-YVLHZVERSA-N 476.599 8.027 50 10 JKGE CCOc1ccc(/C=C(C(/O)=C(\C#N)c2nc(-c3ccc([N+](=O)[O-])cc3)cs2)\c2ccccc2)cc1 1872747199 RPAVSFJNNULPJQ-GEHATIBWSA-N 495.560 7.150 50 10 JKGE COc1ccc(OCCC/C(O)=C(\C#N)c2nc(-c3cc(C)cc(C)c3OC)cs2)cc1 1872754966 RNXGIERWSFYDGA-LNVKXUELSA-N 450.560 6.096 50 10 JKGE COc1ccc(OCCC/C(O)=C(\C#N)c2nc(-c3ccc(OC)cc3OC)cs2)cc1 1872755448 NSALGVQPNNJNGP-XDOYNYLZSA-N 452.532 5.488 50 10 JKGE CCOc1ccc(-c2csc(/C(C#N)=C(\O)CCc3ccc(Cl)cc3)n2)c(OCC)c1 1872755533 RWHJFBRDGUFKOX-XDOYNYLZSA-N 454.979 6.686 50 10 JKGE COc1cc(/C=C(\C#N)c2nc(-c3ccc(C(C)C)cc3)cs2)cc(Br)c1O 1872791202 BETWNPODBLHGBS-CAOOACKPSA-N 455.377 6.474 50 10 JKGE COc1ccc(-c2csc(/C(C#N)=C/c3ccc(OCc4ccccc4Cl)cc3)n2)c(OC)c1 1872793510 CYIBGIUHNIGXLH-DEDYPNTBSA-N 488.996 7.124 50 10 JKGE COc1cc(OC)c(-c2csc(/C(C#N)=C/c3cc4c(cc3[N+](=O)[O-])OCCO4)n2)cc1Cl 1872793651 LJZHICIFPHTFOT-WLRTZDKTSA-N 485.905 5.224 50 10 JKGE COc1cc(/C=C(\C#N)c2nc(-c3ccc(C)c(C)c3)cs2)ccc1OCCc1ccccc1 1872793789 SSKBBGSEDJQVMA-PCLIKHOPSA-N 466.606 7.121 50 10 JKGE CCCCc1ccc(N2C[C@H](C(=O)Nc3sc(/C(C)=C/C#N)c(C)c3C(=O)OC)CC2=O)cc1 1873427104 GZEGBZZBZCMLHK-APEZIOSESA-N 479.602 5.104 50 10 JKGE ClC[C@@H](C1CC1)N(Cc1ccccc1)Cc1ccc(Cl)cc1I 1901951062 ZKMGQRUNNMYGQT-IBGZPJMESA-N 460.186 5.964 50 10 JKGE O=C(c1ccccc1I)N(Cc1ccccc1)[C@H](CBr)C1CC1 1915313022 LVLICTRJMKBRKJ-GOSISDBHSA-N 484.175 5.107 50 10 JKGE Cc1ccc(C(=O)N(Cc2ccccc2)[C@H](CBr)C2CC2)cc1Br 1915315577 XGLCRYGJBGUDLX-LJQANCHMSA-N 451.202 5.573 50 10 JKGE Cc1c(Br)sc([C@H](Cl)c2ccc(Cl)cc2Br)c1Br 1922947058 YHPDRIQBZPDAAS-SNVBAGLBSA-N 493.873 7.326 50 10 JKGE Cc1ccnc(C[C@@H](CBr)Cc2ccccc2Br)c1Br 1926833945 PXUKIYKNWFGWBD-LBPRGKRZSA-N 462.023 5.711 50 10 JKGE FC(F)CC1([C@H](Br)c2cc(Br)c(Br)s2)CCC1 1946572671 DVLVBXHAMWTOGZ-SECBINFHSA-N 452.984 6.535 50 10 JKGE COc1sc([C@H](Br)c2nc(C)sc2Br)cc1Br 2003570220 SBFIILXOBTUSBL-ZETCQYMHSA-N 462.026 5.531 50 10 JKGE Cc1cc(Br)c(CBr)c(N(Cc2ccccc2)[C@@H](C)C(C)(C)C)c1 2005452140 DMYVIMPKTGPFLK-INIZCTEOSA-N 453.262 7.094 50 10 JKGE Brc1cc([C@H](Br)c2cc(C3CC3)c(Br)s2)ns1 2007642419 BEHLOEBJCXYSCF-JTQLQIEISA-N 458.038 6.091 50 10 JKGE COc1ccc([C@H](Br)c2cc(I)sn2)c(Br)c1 2007646380 XGWQRXIJSVTZGO-NSHDSACASA-N 488.970 5.003 50 10 JKGE Fc1cc(Br)c([C@@H](Br)C2CC(Br)C2)c(F)c1Cl 2023366308 LVMXYFGYOMBFBQ-UDSLYJHRSA-N 453.346 5.990 50 10 JKGE Cc1csnc1COc1c(Br)cc(CBr)cc1Br 2035772715 CZYIYRWNHDOXCY-UHFFFAOYSA-N 455.997 5.450 50 10 JKGE CC1(C)CCC[C@@H]([C@H](Br)c2cc(Br)sc2Br)CC1 2039364437 XUWIHNQKKDPFNX-SKDRFNHKSA-N 459.085 7.316 50 10 JKGE FC1(F)CCCCC[C@@H]1[C@H](Br)c1sc(Br)cc1Br 2046377530 SZAZGDMWMNGXAM-XCBNKYQSSA-N 467.011 6.925 50 10 JKGE Fc1cc(Br)cc(N2CC3(CC(OCc4ccccc4)C3)C2)c1CBr 2051131403 KGSSSWOTWUJHRT-UHFFFAOYSA-N 469.192 5.669 50 10 JKGE N#CC(=Cc1ccc(OC(=O)c2ccc(Br)s2)cc1)c1nc2ccccc2[nH]1 2053511288 NBBLYDLYKQYOPP-UHFFFAOYSA-N 450.317 5.670 50 10 JKGE FC(F)(F)c1ccc(Cn2nc(C3CCCC3)cc2CBr)c(Br)c1 2070081907 DXZJQWSOLYOGRW-UHFFFAOYSA-N 466.139 6.265 50 10 JKGE COc1cc([C@@H](Br)c2sc(Cl)cc2Br)ccc1Br 2072063456 QIZTWIIMEUJVCW-LLVKDONJSA-N 475.427 6.419 50 10 JKGE Cc1cc(Br)c(C)c([C@H](Cl)c2ccc(Br)s2)c1Br 2081058623 FRLQAOJLBBNEDX-CYBMUJFWSA-N 473.455 6.981 50 10 JKGE Cc1csc([C@@H](Br)c2c(C)c(Br)cc(C)c2Br)c1 2081083673 YEZSVPNHYPMJNI-CQSZACIVSA-N 453.037 6.683 50 10 JKGE Clc1c(Br)cccc1[C@H](Cl)c1ccc(Br)cc1Br 2083329214 BBCXTHQSOGRULB-GFCCVEGCSA-N 473.817 6.956 50 10 JKGE C[C@@H]1Cc2cc([C@H](Br)c3ccsc3Br)cc(Br)c2O1 2090457957 KAUZLMDZPUQMRJ-KRTXAFLBSA-N 467.020 6.081 50 10 JKGE O=S(=O)(c1ccc(CCl)cc1Br)N(CCC(F)(F)F)Cc1ccccc1 2095875001 CJGAJGAJDPRVLC-UHFFFAOYSA-N 470.738 5.331 50 10 JKGE CN(c1ncc(Br)cc1Br)C1(CBr)CC2(CCC2)C1 2108320797 GSLWLBFGWLOIDF-UHFFFAOYSA-N 453.016 5.141 50 10 JKGE BrCc1cc(Br)cc(Br)c1OC[C@@H]1C[C@H]2CC[C@H]1O2 2111775224 WHQQMMLLZFPEHJ-UFGOTCBOSA-N 454.984 5.053 50 10 JKGE CN(Cc1ccc(Br)cc1Br)[C@@H]1CCCCC[C@@H]1Br 2115916083 WCGXSWZQKHRYPO-DZGCQCFKSA-N 454.044 5.740 50 10 JKGE BrC[C@H]1CC12CCN(Cc1cc(Br)ccc1Br)CC2 2118524678 LQXGGGFLCJGIPW-GFCCVEGCSA-N 452.028 5.209 50 10 JKGE FC1(F)[C@H]2C[C@@H]([C@H](Br)c3ccc(Br)cc3Br)CC[C@H]21 2138866992 QSTLUNOGAHISEB-RINBACNTSA-N 458.966 6.329 50 10 JKGE Clc1ccc(I)c(CN2CCCC[C@H]2CCCBr)c1 2141708342 OLEYGNYEUFNALP-AWEZNQCLSA-N 456.593 5.474 50 10 JKGE FC1(F)CC2(C1)C[C@@]2(CBr)Cc1ccc(I)c(Cl)c1 2142956240 IKNZMGKHOPDFBY-GFCCVEGCSA-N 461.515 5.688 50 10 JKGE Cc1cc(CBr)cc(C)c1OCc1ccc(Br)cc1Br 2148684870 IVBJSUFNQCVSDB-UHFFFAOYSA-N 463.007 6.302 50 10 JKGE ClCCc1nc2cc(Cl)c(Br)cc2n1C[C@@H]1CCCN1Cc1ccccc1 2169015421 MICDFVZKYKVYHQ-INIZCTEOSA-N 467.238 5.898 50 10 JKGE BrC[C@]1(Cc2ccc(Br)cc2Br)CCCCC12CCC2 2173610592 BUUYHKLNTJMNCA-QGZVFWFLSA-N 465.067 6.880 50 10 JKGE COc1ccc(CBr)cc1S(=O)(=O)N(Cc1ccccc1)[C@@H](C)C(C)(C)C 2179858756 SUECKDYMGGGYEL-INIZCTEOSA-N 454.430 5.216 50 10 JKGE CC(C)(C)[C@H]1[C@H](Br)CCN1C(=O)c1cccc(Br)c1Br 2185106854 BCWDZWREJBOVAC-DGCLKSJQSA-N 468.027 5.236 50 10 JKGE Fc1ccc(CO[C@H](CBr)c2ccc(Br)cc2)c(Br)c1 2206268178 QSTZVMAAUYCZFK-OAHLLOKOSA-N 466.970 6.004 50 10 JKGE Cc1c(Br)ccc([C@H](Br)[C@H]2C[C@H]3COC[C@H](C3)C2)c1Br 2206755162 SIBMEXLLKZLPBE-AZKPJATDSA-N 467.039 6.019 50 10 JKGE Cc1ccc(C(=O)N(Cc2ccccc2)C2(CBr)CCC2)cc1I 2212991559 YZZNYXKODAJNLN-UHFFFAOYSA-N 498.202 5.560 50 10 JKGE Cc1c(Br)sc([C@@H](Br)c2cccc(Br)c2F)c1C 2218790375 LLLAKXANENSHJC-JTQLQIEISA-N 457.000 6.513 50 10 JKGE Cc1ccc(Br)c([C@H](Br)c2c(C)sc(Br)c2C)c1 2218801002 PPODFUXEOCTXCD-ZDUSSCGKSA-N 453.037 6.683 50 10 JKGE O=S1(=O)CC[C@@H]([C@H](Br)c2c(Br)cc(Cl)c(Cl)c2Cl)C1 2224303699 YXPBUPQPJFHKAV-ANLVUFKYSA-N 471.425 5.280 50 10 JKGE CCOc1cc(CCl)cc(Br)c1OC[C@@H]1CC1(Br)Br 2224802035 SXGVKXYXEVFBAW-VIFPVBQESA-N 477.418 5.471 50 10 JKGE CCC12COC([C@@H](Br)c3cc(Br)c(Br)cc3F)(C1)C2 2225617013 LHXZVGQTHCWFLO-HSBZDZAISA-N 456.975 5.746 50 10 JKGE ClCc1nc2cc(Br)c(Br)cc2n1CC1(Br)CCC1 2225703285 XQJBQBSQHNBNGO-UHFFFAOYSA-N 471.418 5.618 50 10 JKGE COc1ccc([C@H](Br)c2c(C)sc(Br)c2C)cc1Br 2225869160 WRUSVYDGIRVGMW-ZDUSSCGKSA-N 469.036 6.383 50 10 JKGE C[C@@H]1CN(Cc2ccccc2)C[C@@H]1Cn1c(CCl)nc2c(F)cc(Br)cc21 2232913593 FZMCVCSMGZGZBI-GDBMZVCRSA-N 450.783 5.445 50 10 JKGE COc1ccc([C@H](Br)c2cc(Br)c(Br)cc2F)cc1F 2233974724 GZEWMBSGPCKOMV-AWEZNQCLSA-N 470.933 5.983 50 10 JKGE COc1ccc([C@H](Br)c2cc(Br)c(Br)cc2F)c(F)c1 2233976863 QUHDZOBHCPPDJP-AWEZNQCLSA-N 470.933 5.983 50 10 JKGE Cc1cc(Br)c(F)c([C@@H](Br)Cc2ccc(Br)cc2Cl)c1 2237457344 FJIKUEZSSWNVGI-LBPRGKRZSA-N 485.416 6.991 50 10 JKGE Cc1cc(Br)c([C@@H](Br)c2cc(Br)cc3c2O[C@H](C)C3)s1 2237632911 DWYTYXKCYKXBEX-UHLUBPPHSA-N 481.047 6.389 50 10 JKGE COc1cc(F)c([C@@H](Br)c2cc(C)ccc2I)c(F)c1 2240998366 ZCFDTCDKBGHNMZ-HNNXBMFYSA-N 453.064 5.371 50 10 JKGE CS(=O)(=O)c1cscc1[C@H](Br)c1sc(Br)cc1Br 2260091774 LWLUFHAGGUDNMC-VIFPVBQESA-N 495.077 5.222 50 10 JKGE C[C@H](Br)CN(Cc1cc(Cl)ccc1I)CC(C)(C)C 2272536363 GEEJKJYTZAVQJX-NSHDSACASA-N 458.609 5.576 50 10 JKGE Cc1c(Br)ccc([C@H](Br)[C@@]23C[C@@H](CO2)C3(C)C)c1Br 2273632502 WENGKUCJMXFAMQ-DYQSUWPFSA-N 453.012 5.771 50 10 JKGE CCCN[C@@H](Cc1cc(Br)cc(Br)c1)[C@H]1C[C@H](Br)C1 2277955135 HCXJJGYTNVPUGM-CQDKDKBSSA-N 454.044 5.296 50 10 JKGE BrCC(CBr)(CCc1ccccc1)Cc1ccsc1Br 2286717047 OYQIRMUTJDGRHK-UHFFFAOYSA-N 481.091 6.462 50 10 JKGE CC(C=NNC(=O)CSc1nnc(-c2ccc(Cl)cc2)n1C1CCCCC1)=Cc1ccccc1 2293453419 BCSQOXUTEUVQJW-UHFFFAOYSA-N 494.064 6.401 50 10 JKGE Cc1ccccc1-n1c(SCC(=O)NN=CC(Cl)=Cc2ccccc2)nc2ccccc2c1=O 2293744183 PHVGHJKAWDSJGN-UHFFFAOYSA-N 489.000 5.168 50 10 JKGE COc1c(Br)cc(Cl)c(C)c1[C@H](Cl)c1cnn(C)c1I 2295284345 ZJSUSIULUNYYBN-LLVKDONJSA-N 489.966 5.086 50 10 JKGE Brc1cc(Br)cc(C[C@H](Br)[C@@]23CCCC[C@@H]2CCC3)c1 2295343091 RRTRQOXOEAGQEY-XOKHGSTOSA-N 465.067 6.878 50 10 JKGE CC(=O)c1cc2c(cc1NC=C(C#N)c1nc(-c3cccc(Br)c3)cs1)OCO2 2295945700 UZNFGASYMRWZOT-UHFFFAOYSA-N 468.332 5.480 50 10 JKGE Cc1ccc(C(C)C)c(OCCn2cc(C=C(C#N)C(=O)NCc3cccs3)c3ccccc32)c1 2296807119 OGTXKYHXBPASNX-UHFFFAOYSA-N 483.637 6.437 50 10 JKGE CCc1ccccc1NC(SCc1ccccc1Cl)=C(C#N)S(=O)(=O)c1ccccc1 2297350026 NMSRDDKRAZQQIP-UHFFFAOYSA-N 469.031 6.414 50 10 JKGE CC(C)(C)OC(=O)N1CCC[C@@](CI)(OC(CC2CC2)CC2CC2)C1 2313524373 KSPJNPMZJCVZIF-FQEVSTJZSA-N 463.400 5.177 50 10 JKGE N#CC(=Cc1ccc(OC(=O)c2ccc(Cl)cc2)cc1)C(=O)Nc1cccc2ccccc12 2313670818 YGDPWISYULMQBR-UHFFFAOYSA-N 452.897 6.258 50 10 JKGE CCCC[C@H](C)CC[C@@H](Br)c1cc(Br)ccc1OCc1ccccc1 2314447485 YWQOFDSWTHUFFG-LAUBAEHRSA-N 468.273 8.071 50 10 JKGE Brc1ccc(OCc2ccccc2)c([C@H](Br)[C@@H]2CC3CCC2CC3)c1 2314448967 MCVQLINIAWVSFA-YKEBJSDKSA-N 464.241 7.290 50 10 JKGE Cc1ccc(-c2ccc(C=C(C#N)c3nc(-c4cccc5ccccc45)cs3)o2)c([N+](=O)[O-])c1 2314456896 GVFFREMBTRMTLQ-UHFFFAOYSA-N 463.518 7.504 50 10 JKGE CCOC(=O)c1c(NC(=O)C(C#N)=Cc2cc(OC)c(OC)c(OC)c2)sc2c1CC[C@H](CC)C2 2314571583 IADVZCFKHZKCSB-HNNXBMFYSA-N 498.601 5.011 50 10 JKGE CCOC(=O)c1c(NC(=O)C(C#N)=Cc2ccc(O)c(OCC)c2)sc2c1CC[C@H](CC)C2 2314572325 YNMPEPPHXFAIJH-HNNXBMFYSA-N 468.575 5.090 50 10 JKGE CCCCCCOc1ccc(C=C(C#N)C(=O)Nc2nc(-c3ccc(CC)cc3)cs2)cc1OC 2314754111 KVJJDBLODVLKFV-UHFFFAOYSA-N 489.641 6.886 50 10 JKGE O=C(CCCSc1ccccc1)NN=Cc1cn(CCOc2ccc(Cl)cc2)c2ccccc12 2321230237 WXXYWAYHENFHFI-UHFFFAOYSA-N 492.044 6.396 50 10 JKGE CC(C)Sc1nc2ccc(C(=O)NN=Cc3ccc(OC(=O)c4ccccc4)cc3)cc2[nH]1 2323608950 WODUXAAZKPQIAX-UHFFFAOYSA-N 458.543 5.047 50 10 JKGE C[C@H]1CCCC[C@]1(CBr)Cc1ccc(I)c(Br)c1 2325222470 SAOPHYVPQSCTBI-XHDPSFHLSA-N 486.029 6.188 50 10 JKGE CC(C)C[C@H](NC(=O)OC(C)(C)C)C(=O)NN=Cc1cccc(OCc2cccc(Cl)c2)c1 2328796593 HOQJCOQLQAMHHG-QFIPXVFZSA-N 474.001 5.309 50 10 JKGE CCOc1cc(C=NNC(=O)CCCCCNC(=O)OC(C)(C)C)ccc1OCc1ccccc1 2328800001 XBNOAZDMQFKXMJ-UHFFFAOYSA-N 483.609 5.200 50 10 JKGE COc1cc(C=C(C#N)c2nc3ccccc3n2C)ccc1OC(=O)c1ccc(Cl)cc1Cl 2331019620 FNRFXSIOGLMILQ-UHFFFAOYSA-N 478.335 6.172 50 10 JKGE COc1c(Cl)cc(Cl)cc1-c1csc(C(C#N)=C(O)[C@@H](C)Oc2ccccc2C(C)C)n1 2331362894 XPFLORBBWHHWOZ-CQSZACIVSA-N 489.424 7.509 50 10 JKGE COc1c(C)cc(C)cc1-c1csc(C(C#N)=C(O)CN2C(=O)COc3ccc(Cl)cc32)n1 2331376381 YSBXWBNLOJBTCW-UHFFFAOYSA-N 481.961 5.307 50 10 JKGE CCCCOc1ccc(C=C(C#N)c2nc(-c3ccc(-c4ccccc4)cc3)cs2)cc1OC 2331414294 UKQPWJSFSRHVMF-UHFFFAOYSA-N 466.606 7.729 50 10 JKGE CC(C)c1ccc(-c2csc(C(C#N)=Cc3ccccc3OCc3ccccc3Cl)n2)cc1 2331457912 WSRHVHFBFOYBBJ-UHFFFAOYSA-N 471.025 8.230 50 10 JKGE Cc1cc(Br)c(C)c([C@@H](Br)[C@@]23CCCC[C@@H]2C3)c1Br 2332925580 MALZHMGIZISAFL-HFBAOOFYSA-N 451.040 6.845 50 10 JKGE Fc1cc(Br)c(Br)cc1[C@H](Br)[C@@H]1[C@@H]2[C@H]1CCC2(F)F 2333604888 SDANYNMSGLCOFI-KPHQYVGYSA-N 462.929 6.078 50 10 JKGE Brc1ccc(OCc2ccccc2)c([C@H](Br)c2scc3c2CCCC3)c1 2336041854 RDAIZIFJZPMRPP-NRFANRHFSA-N 492.276 7.453 50 10 JKGE Clc1ccc(C[C@@H]2C[C@@H]3CCCC[C@H]3[C@@H]2Br)cc1I 2337272988 PPQYFDJWDJJFLX-VPWBDBDCSA-N 453.589 6.077 50 10 JKGE CN(Cc1ccc(Cl)cc1I)[C@@H]1CCCCC[C@H]1Br 2341047493 HUOZTUXXKBPYHK-UKRRQHHQSA-N 456.593 5.473 50 10 JKGE CC1=C(C)C[C@@](CBr)(Cc2ccc(Br)cc2Br)CC1 2343448235 URVXABDMKBSCMI-MRXNPFEDSA-N 451.040 6.656 50 10 JKGE FC(F)(F)[C@@H]1C[C@@H](Br)CCN1Cc1ccc(Cl)c(I)c1 2362368121 KDAZHYYTAAZHLG-CABZTGNLSA-N 482.509 5.235 50 10 JKGE COc1cc(Br)c([C@H](Br)c2c(Br)nc(C)n2C)cc1C 2362444149 JHDOTYUMFHSCEQ-LBPRGKRZSA-N 466.999 5.055 50 10 JKGE CC12CC(C1)[C@H]([C@@H](Br)c1c(Br)cc(Cl)c(Cl)c1Cl)CO2 2362899809 GCUXBBSXSCQENO-FDMZJPOOSA-N 463.424 6.660 50 10 JKGE CC(C)(C)[C@@H]1CC[C@H]1CO[C@@H](CI)c1cccc(Br)c1 2369175032 FZSBTXRPJPWCID-IMJJTQAJSA-N 451.186 6.014 50 10 JKGE O=C(N[C@@H](CCCl)COCc1ccccc1)c1cc(Br)cc(C(F)(F)F)c1 2369686210 ABONYIXBGHWCPV-KRWDZBQOSA-N 464.709 5.412 50 10 JKGE CC1(C)CC(CBr)(CN=[S@@](C)(=O)C[C@@H](NC(=O)OC(C)(C)C)C(C)(C)C)C1 2371132544 CEZBXEYZGDDFNC-RXAIFQJESA-N 467.514 5.225 50 10 JKGE CCc1cc(Br)c(OC)c([C@H](Br)c2nn(C)cc2Br)c1 2381254802 BNNOEPJPTWKMLY-LBPRGKRZSA-N 466.999 5.000 50 10 JKGE CCc1cc(Br)c(OC)c([C@H](Br)c2cc(C)c(Br)o2)c1 2381259162 ZYNSKVYWXORQHA-ZDUSSCGKSA-N 466.995 6.168 50 10 JKGE CC(C)(C)Oc1ccc([C@@H](Br)c2cc(Br)cs2)cc1Br 2381320676 YPQSDQGDMALZBZ-CQSZACIVSA-N 483.063 6.935 50 10 JKGE Cc1ccccc1N[C@H](C)C(=O)N/N=C/c1ccccc1OCc1ccc(Br)cc1 27528090 JNAHFEHTWZHYDY-GTPWMTBTSA-N 466.379 5.287 50 10 JKGE O=C(COc1cc(Cl)ccc1Cl)N/N=C/c1ccc(OCc2ccccc2Cl)cc1 33528349 WJBOKXMVFYNHFZ-RPPGKUMJSA-N 463.748 5.755 50 10 JKGE CC1CCN(C(=O)/C(C#N)=C2/S[C@@H](Cc3ccc(Cl)cc3)C(=O)N2c2ccccc2)CC1 33605385 RATHZFGWIWJQID-SCIJIFGBSA-N 466.006 5.025 50 10 JKGE CCCOc1ccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4ccc(OC(C)C)cc4)ccc32)cc1 38650667 BVLURSCAUWCTGV-HHHXNRCGSA-N 484.552 5.700 50 10 JKGE Cc1ccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)COc4cc(C)c(Cl)c(C)c4)ccc32)o1 38659295 RHVYSGFDVJJWNH-HSZRJFAPSA-N 464.905 5.061 50 10 JKGE CCCOc1cccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4ccccc4Cl)ccc32)c1 38684370 LBXPFYUDQIXLLS-XMMPIXPASA-N 460.917 5.566 50 10 JKGE Cc1c(C(=O)Nc2cc(Cl)ccc2Cl)oc2c1/C(=N/NC(=O)Cc1ccccc1)CCC2 40815806 CCIVHRJRZOZUIJ-MTDXEUNCSA-N 470.356 5.546 50 10 JKGE COc1cc(/C=N/NC(=O)COc2cc(Cl)ccc2Cl)ccc1OCc1ccccc1C 40911539 WMGPMFIDUSLQAX-UVHMKAGCSA-N 473.356 5.419 50 10 JKGE CCCOc1ccccc1/C=C(\C#N)C(=O)Nc1sc(C(=O)OC(C)C)c(C)c1C(=O)OCC 40948997 WZHYRJVYAXSMAD-QGOAFFKASA-N 484.574 5.133 50 10 JKGE CC(C)(C)c1ccc(OCC(=O)N/N=C/c2ccc(Cl)c(Cl)c2)c(Br)c1 40950801 ULGKAYDABJRXKF-AUEPDCJTSA-N 458.183 5.583 50 10 JKGE N#C/C(=C/c1ccc(OCc2c(Cl)cccc2Cl)cc1)C(=O)Nc1cccc(Cl)c1 59117066 YXDWEKMFIKHKET-WJDWOHSUSA-N 457.744 6.771 50 10 JKGE COc1cc(/C=C(/C#N)C(=O)Nc2ccc(C)cc2)cc(Cl)c1OCc1ccc(F)cc1 59335348 PTZFTIMIDSZHSH-ODLFYWEKSA-N 450.897 5.921 50 10 JKGE N#C/C(=C/c1ccc(OC(=O)c2ccc(Br)cc2)cc1)c1nc2ccccc2s1 96838195 WLNKUEYWQIKZGX-LGMDPLHJSA-N 461.340 6.342 50 10 JKGE CC1CCC(NC(=O)[C@H](c2ccc(Cl)cc2)N(Cc2ccccc2Cl)C(=O)CCl)CC1 97914752 JLNZHVBHYHTRAY-JCJCGPQSSA-N 481.851 5.997 50 10 JKGE CC(C)c1ccc(N/C=C(/C#N)c2nc(-c3cc4c(ccc5ccccc54)oc3=O)cs2)cc1 102407136 COUIVWWPRPGPJA-HKWRFOASSA-N 463.562 7.170 50 10 JKGE COc1ccc(Br)cc1[C@H](Br)c1ccc(Br)c(F)c1 104038108 CMDZFFBVMKYFJD-CQSZACIVSA-N 452.943 5.844 50 10 JKGE Cc1cc(C)c(N/C(SCc2cccc(Cl)c2)=C(\C#N)S(=O)(=O)c2ccccc2)c(C)c1 104689523 SVNSCTRYBKTONT-BZZOAKBMSA-N 483.058 6.777 50 10 JKGE CC(C)c1ccc([C@@H](Br)c2ccccc2I)c(C(C)C)c1 109857163 HDPFWGQLSOSPOG-LJQANCHMSA-N 457.193 7.022 50 10 JKGE Cc1c(Br)cccc1[C@@H](Br)c1cc(Br)ccc1Br 115161448 PDWYRPNWPLBAOQ-CQSZACIVSA-N 497.850 6.767 50 10 JKGE COc1cc(C)c(Br)cc1[C@H](Cl)c1cc(Br)c(Br)s1 128877155 KAWCHVMSHBWVHU-LBPRGKRZSA-N 489.454 6.681 50 10 JKGE CC(C)(C)OC(=O)N1CCC(CC[P+](c2ccccc2)(c2ccccc2)c2ccccc2)CC1 142464610 IOUYXKVCAPMVMD-UHFFFAOYSA-N 474.605 6.018 50 10 JKGE Cc1ccc([C@H](C(=O)N[C@@H]2CCC[C@@H](C)[C@@H]2C)N(CCC2=CCCCC2)C(=O)CCl)cc1 169692666 VMZJSCDHCQVVSX-XVOWXPBNSA-N 459.074 5.935 50 10 JKGE CCCOc1ccc(/C=C(/C#N)C(=O)Oc2ccc(C(=O)Nc3ccc(OC)cc3)cc2)cc1 206415615 CNRRZUMWNKZIGJ-FXBPSFAMSA-N 456.498 5.249 50 10 JKGE Cc1ccc(Cl)cc1[C@H](Br)c1cc(Br)ccc1Br 213832292 GBNCZSXCNPLQJW-AWEZNQCLSA-N 453.399 6.658 50 10 JKGE C[C@@H](NC(=O)/C(C#N)=C\Nc1ccccc1Sc1ccccc1)C12CC3CC(CC(C3)C1)C2 217037242 CWPGREMQOCDBIG-RTCHEUMGSA-N 457.643 6.378 50 10 JKGE COc1ccc([C@H](Br)c2cc(Br)c(C)s2)cc1Br 227833488 IHBXOMJGQGWEKQ-ZDUSSCGKSA-N 455.009 6.074 50 10 JKGE Clc1sc([C@H](Br)c2ccccc2I)cc1Br 227849225 IAQAOCZNEITUPG-SNVBAGLBSA-N 492.401 6.253 50 10 JKGE CC1(C)COc2ccc([C@@H](Br)c3cc(Br)c(Br)s3)cc21 228541444 PYMRIOQJCNJKMO-CYBMUJFWSA-N 481.047 6.427 50 10 JKGE COc1cc(Br)c(Oc2ccc(CCl)c(Br)c2)cc1Br 234917902 JGQHUIAGARLBBL-UHFFFAOYSA-N 485.397 6.514 50 10 JKGE CCOc1cc(C=NNC(=O)c2ccc(OC)cc2)ccc1OCc1c(Cl)cccc1Cl 252609003 HOZQPLABIHJDBB-UHFFFAOYSA-N 473.356 5.744 50 10 JKGE Cn1c(SCC(=O)NN=C(CCc2ccccc2)CCc2ccccc2)nc2ccccc21 253576307 VQXGCOBOJXWXTO-UHFFFAOYSA-N 456.615 5.403 50 10 JKGE O=C(NN=Cc1c(-c2ccccc2)n(-c2ccccc2)c2ccccc12)[C@@H]1COc2ccccc2O1 254480011 PYPOOKHBSKHCQS-NDEPHWFRSA-N 473.532 5.588 50 10 JKGE Cc1ccc(COc2ccc(-c3cc(C(=O)NN=Cc4ccc(C(C)C)cc4)n[nH]3)cc2)cc1 254738734 KMEVMURBSIXTSA-UHFFFAOYSA-N 452.558 5.851 50 10 JKGE CCOc1ccc(C(=O)Oc2ccc3ccccc3c2C=NNC(=O)c2ccccc2OC)cc1 254905888 MTLNEYHDYXIGAU-UHFFFAOYSA-N 468.509 5.230 50 10 JKGE CC[C@@H]1CCC[C@H](O[C@]2(CI)CCCN(C(=O)OC(C)(C)C)C2)C1 303742205 XNABZRZUPWGIAB-GJYPPUQNSA-N 451.389 5.177 50 10 JKGE Cc1ccc(C(CBr)(CBr)Cc2coc(Br)c2)cc1 378937114 DYIXBXWFYYCCJV-UHFFFAOYSA-N 450.996 5.621 50 10 JKGE CN(Cc1ccccc1)C1(Cn2c(CCl)nc3cc(I)c(F)cc32)CCC1 386811511 DRYFOUWROUFQLC-UHFFFAOYSA-N 497.783 5.574 50 10 JKGE O=C(NCCCN(Cc1ccccc1)Cc1ccccc1)c1cccc(-c2nc(CCl)cs2)c1 390640639 MVFUGMFFIAMZIT-UHFFFAOYSA-N 490.072 6.371 50 10 JKGE C[C@H](Cl)c1nc2c(Br)cccc2n1CCCOCCOCc1ccccc1 390644326 NMYDSZGYKRIHBC-INIZCTEOSA-N 451.792 5.722 50 10 JKGE Cl[C@H](c1cc(Br)c(Br)s1)c1ccccc1OCc1ccccc1 390807567 MRRUAGZMPKPVQE-KRWDZBQOSA-N 472.629 7.180 50 10 JKGE Clc1ccc([C@H](Br)c2cc(Cl)c(Cl)c(Cl)c2Cl)c(Cl)c1 404671621 YJMFSGWHBRSGHJ-JTQLQIEISA-N 453.805 8.091 50 10 JKGE CC(C)(C)OC(=O)NCCN1CC[C@H](c2ccccc2CO[Si](C)(C)C(C)(C)C)c2ccccc21 616587194 FGGHFWOEJSRPGU-XMMPIXPASA-N 496.768 7.075 50 10 JKGE CC(C)(C)c1cccc([C@@H](Br)c2cc(Br)c(Br)s2)c1 691737412 FMLRJJWXQJYYIW-CYBMUJFWSA-N 467.064 7.055 50 10 JKGE COc1ccc(Br)cc1[C@@H](Br)Cc1ccc(Br)cc1F 692792251 GYAGDWXRCJERDJ-ZDUSSCGKSA-N 466.970 6.038 50 10 JKGE CCOc1cc(C=NNC(=O)c2ccccc2C)ccc1OCc1ccc(Cl)cc1Cl 1084422567 KTYQQVVJXPGKKW-UHFFFAOYSA-N 457.357 6.043 50 10 JKGE Cc1nc2ccccn2c1C(=O)NN=Cc1cc(Br)ccc1OCc1ccccc1Cl 1084485155 DPXAVIWAKKHTDP-UHFFFAOYSA-N 497.780 5.402 50 10 JKGE O=C(NN=Cc1ccc(Cl)cc1Cl)c1ccc([C@@H]2Nc3ccccc3[C@H]3C=CC[C@H]32)cc1 1084561569 GIMMOLPHFIGUNM-LFAGZIFBSA-N 462.380 6.584 50 10 JKGE N#CC1=C(N)Oc2c(c(C(F)(F)F)nn2-c2ccc(Br)cc2)[C@@H]1c1ccc(Cl)cc1 1865682971 CATBMAIFHJKXCL-OAHLLOKOSA-N 495.686 5.525 50 10 JKGE CCCCOc1ccc([C@@H]2C(C#N)=C(N)Oc3c2c(CC)nn3-c2cccc(Cl)c2)cc1OCC 1865687551 UPKWFYABYRHPBP-XMMPIXPASA-N 493.007 5.884 50 10 JKGE COc1ccc(-c2nn(-c3ccccc3)c3c2[C@@H](c2cc(Cl)ccc2O)C(C#N)=C(N)O3)cc1 1865689589 TXSORHCOBUMQBV-QFIPXVFZSA-N 470.916 5.125 50 10 JKGE CCCCCOc1ccc([C@@H]2C(C#N)=C(N)Oc3c2c(C)nn3Cc2ccccc2Cl)cc1 1865689879 FPOADTIQQJYCQC-XMMPIXPASA-N 462.981 5.680 50 10 JKGE CCCOc1ccc([C@@H]2C(C#N)=C(N)Oc3c2c(CC)nn3Cc2ccccc2F)cc1OCC 1865691305 PDKJDEZOVHBFJX-XMMPIXPASA-N 476.552 5.039 50 10 JKGE CCCOc1c(OC)cccc1[C@H]1C(C#N)=C(N)Oc2c1c(CC)nn2Cc1cc(C)ccc1C 1865694365 XDTMJIPYSKUXBN-DEOSSOPVSA-N 472.589 5.126 50 10 JKGE CCCOc1ccccc1[C@H]1C(C#N)=C(N)Oc2c1c(C(F)(F)F)nn2Cc1ccc(C)cc1 1865702884 HOCASZBLYSOSLH-FQEVSTJZSA-N 468.479 5.266 50 10 JKGE CC[C@H](NC(=O)C[C@@H](c1ccc(F)cc1)c1cccc(F)c1)C(=O)Nc1ccc(SC#N)cc1 1866780226 IJEOGPLFNVDRSW-ZEQRLZLVSA-N 479.552 5.593 50 10 JKGE Cc1ccc(-c2nc(Nc3ccc(SC#N)cc3)cc(N3CCO[C@H](c4cccnc4)C3)n2)cc1 1868320575 LCXGISKZGYSJQJ-DEOSSOPVSA-N 480.597 5.742 50 10 JKGE CCOc1cc(/C(O)=C(\C#N)c2nc(-c3ccc(C(C)C)cc3)cs2)cc(OCC)c1OCC 1872752041 KHRZEVTXSFTXQQ-DAFNUICNSA-N 478.614 7.079 50 10 JKGE COc1ccc(-c2csc(/C(C#N)=C(\O)CCCOc3ccc4ccccc4c3)n2)cc1Cl 1872757650 PJAIODRZEAVDSS-FLFQWRMESA-N 476.985 7.277 50 10 JKGE COc1c(Cl)cc(Cl)cc1-c1csc(/C(C#N)=C/c2cc3c(cc2[N+](=O)[O-])OCCO3)n1 1872792906 WVTOUROTINDPSR-UUILKARUSA-N 490.324 5.869 50 10 JKGE CCCOc1ccc(-c2csc(/C(C#N)=C(\O)Cc3cccc4ccccc34)n2)cc1OCCC 1872818307 WLXCBCHXLVSEOL-LCUIJRPUSA-N 484.621 7.576 50 10 JKGE CCOc1cc(/C=N/NC(=O)c2ccc3[nH]c4c(c3c2)CCCC4)ccc1OCc1ccccc1 1873498622 YRZWFIPRLGQOPK-UXHLAJHPSA-N 467.569 5.788 50 10 JKGE CC(C)[C@H](NC(=O)OC(C)(C)C)C(=O)N/N=C/c1ccc(OCc2ccc(Cl)cc2Cl)cc1 1873792390 AEBCMHNRJSGLHO-HFLRGAGPSA-N 494.419 5.572 50 10 JKGE CC(C)C[C@H](/C(O)=C(\C#N)c1nc(-c2ccc3ccccc3c2)cs1)N1C(=O)c2ccccc2C1=O 1873940808 IRAGRTBRWJTHID-SPICPHANSA-N 493.588 6.467 50 10 JKGE Brc1cc([C@H](Br)[C@H]2C[C@H]2Br)sc1Br 1883531132 MNRCNVPTAZKUKX-PJVAAEDRSA-N 453.819 5.493 50 10 JKGE CC[C@H](Br)CN(Cc1ccccc1)C(=O)c1cc(Br)ccc1OC 1915091329 VZGKAHHTDMVZBO-HNNXBMFYSA-N 455.190 5.274 50 10 JKGE Cc1oc(C)c([C@H](Br)c2c(Br)sc(Br)c2Cl)c1C 1923040779 WROBJHGRKUNWDO-VIFPVBQESA-N 477.443 6.929 50 10 JKGE CC(F)(F)C1([C@@H](Br)c2c(Br)sc(Br)c2Cl)CC1 1923048381 GJQZGUBKUAAPAS-LURJTMIESA-N 473.402 6.798 50 10 JKGE FC(F)(F)c1cccc([C@H](Cl)c2c(Br)sc(Br)c2Cl)c1 1923050335 SXOBLVYFCQIABR-QMMMGPOBSA-N 468.947 7.274 50 10 JKGE Cc1cc(Br)c([C@@H](Cl)c2sncc2Br)cc1Br 1941498477 KBURSJMQXMMRMU-SNVBAGLBSA-N 460.416 6.067 50 10 JKGE Clc1c(Br)ccc(CBr)c1N(Cc1ccccc1)C[C@@H]1CCCO1 1948741983 VXPAOHOIFXQWGY-INIZCTEOSA-N 473.636 6.183 50 10 JKGE Brc1ccc(Br)c(CC[C@H](Br)COCc2ccccc2)c1 1957336875 QITKRAXQPMDTRR-INIZCTEOSA-N 477.034 6.125 50 10 JKGE Fc1ccc([C@@H](Br)c2cc(I)sn2)cc1Br 1983286489 QKRUGWVAWLAKTH-SNVBAGLBSA-N 476.934 5.134 50 10 JKGE Cc1nn(C)c([C@@H](Cl)c2sc(Br)cc2Br)c1Br 2017377065 RKJQCVLWBKMFFF-MRVPVSSYSA-N 463.420 5.406 50 10 JKGE Brc1sc([C@H](Br)c2ccc(OCc3ccccc3)cc2)cc1C1CC1 2033631000 DIWVUSSDPASZKT-HXUWFJFHSA-N 478.249 7.451 50 10 JKGE IC[C@H]1CCC[C@@]2(CN(Cc3ccccc3)C3(CCCCCC3)C2)O1 2038914972 WDCFWGIEGDKKDV-IFMALSPDSA-N 453.408 5.728 50 10 JKGE Cc1cc(Br)c([C@@H](Br)c2cc(C)c(Cl)s2)cc1Br 2046713840 SXMYHSKGAXPHBJ-GFCCVEGCSA-N 473.455 7.028 50 10 JKGE FC1(F)CC[C@@H]2[C@H]([C@@H](Cl)c3c(Br)sc(Br)c3Br)[C@@H]21 2051242066 VZEFOQJDFFBAFL-QZNHMKJZSA-N 485.413 6.607 50 10 JKGE O=S(=O)(c1cc(Br)cc(CBr)c1F)N(Cc1ccccc1)C1CCC1 2059290836 DLWJKXXMAGHHCB-UHFFFAOYSA-N 491.220 5.227 50 10 JKGE Cc1cc(F)cc(F)c1Cn1nc(CBr)c(I)c1C(F)(F)F 2079242910 IBMSDZLBMSNNFH-UHFFFAOYSA-N 495.027 5.036 50 10 JKGE CCOC(=O)C12CCC(CI)(CC1)O[C@H]2c1ccc(C(F)(F)F)cc1 2080420415 PYHVNAXPRHXETF-OOHWJJMZSA-N 468.253 5.074 50 10 JKGE Cc1sc(Br)c([C@H](Br)c2ccc(Br)c(Cl)c2)c1C 2082884196 JWEMXNVVLIRDRF-GFCCVEGCSA-N 473.455 7.028 50 10 JKGE Cc1ccc(Br)c([C@H](Br)c2ccc(Br)cc2Br)c1 2083337552 JDIMJHZNKQFYEN-CQSZACIVSA-N 497.850 6.767 50 10 JKGE COc1c(Br)cc(C)cc1[C@H](Br)c1csnc1Br 2083463822 GTJLJTGAYFCOSV-JTQLQIEISA-N 455.997 5.469 50 10 JKGE COc1c(C)cc(Br)cc1[C@H](Br)c1cscc1OCc1ccccc1 2085637640 VEEGJVUNYVXRKE-IBGZPJMESA-N 482.237 6.891 50 10 JKGE Brc1ccc([C@H](Br)c2ccc(CC3CC3)s2)c(Br)c1 2087639418 FHTPVFPRYXAYKA-HNNXBMFYSA-N 465.048 6.710 50 10 JKGE O=C(N[C@H]1CCCC[C@@H]1CCBr)c1cc(Br)sc1Br 2090569396 UZCCHFKKANTEEF-SCZZXKLOSA-N 474.056 5.347 50 10 JKGE BrCc1cc(Br)cc(Br)c1OCCSC1CCCC1 2092709954 PSGHLPRQRNUYOA-UHFFFAOYSA-N 473.068 6.161 50 10 JKGE COc1ccc([C@@H](Br)c2c(Br)cccc2Br)cc1Cl 2094091565 VKMPAGIKHBVAHT-CQSZACIVSA-N 469.398 6.358 50 10 JKGE Cc1c(Br)sc([C@@H](Br)[C@@]2(C)CCCCC2(F)F)c1Br 2111648346 UDRSXGSUUYUTDJ-ZYHUDNBSSA-N 481.038 7.233 50 10 JKGE CCOc1ccc([C@H](Br)c2nc(C)sc2Br)c(Br)c1 2113184740 IQUHCLJCUIRMPD-NSHDSACASA-N 470.024 5.860 50 10 JKGE CC1(C)CCCC[C@]1(CBr)Cc1cc(Br)ccc1Br 2118527612 MLHWFOCZZGMGEY-MRXNPFEDSA-N 453.056 6.736 50 10 JKGE C[C@H](c1cccs1)N(Cc1ccccc1)S(=O)(=O)c1ccccc1CBr 2123244093 RLLAJWKCLJPWNW-MRXNPFEDSA-N 450.423 5.595 50 10 JKGE Clc1ccc(I)c(CC2(CBr)CC3(C2)CC32CC2)c1 2127502759 JIHDLVCGVXMNGD-UHFFFAOYSA-N 451.573 5.833 50 10 JKGE CC1(C)C2CCC1([C@H](Br)c1ccc(Br)cc1Br)CC2 2138867203 RHHINDKXZACPCQ-XHYCCTMSSA-N 451.040 6.864 50 10 JKGE Cc1cccc([C@H](Br)c2ccc(Br)c(C)c2Br)c1F 2138875712 INRIIWKTSOPUDA-CQSZACIVSA-N 450.971 6.452 50 10 JKGE Cc1cc(F)c(F)cc1[C@@H](Br)c1cc(Cl)ccc1I 2139642656 JSXDCNQTEJSTHH-CQSZACIVSA-N 457.483 6.016 50 10 JKGE Cc1cc([C@H](Br)[C@H](C)c2ccncc2Br)ccc1I 2142105486 DEDVEZCCTHNSAA-MEBBXXQBSA-N 494.996 5.997 50 10 JKGE Cc1oc(Br)cc1[C@H](Br)c1cc(Br)c2c(c1)C[C@@H](C)O2 2146625423 AHIIXKMGEDPPQG-NXSYQRQQSA-N 464.979 5.921 50 10 JKGE CC1(C)CC(CBr)(CNC(=O)c2ccc(Br)cc2Br)C1 2158305947 VFILCALKTJEKME-UHFFFAOYSA-N 468.027 5.143 50 10 JKGE ClCc1nc2cc(Br)c(Cl)cc2n1C[C@@H]1CCCCN1Cc1ccccc1 2159870501 FTESHNFASOIFDJ-INIZCTEOSA-N 467.238 6.246 50 10 JKGE Fc1c(CC(CBr)(CBr)C2CCCC2)ccc(Cl)c1Br 2166826127 OZYSCGUHFBQEJM-UHFFFAOYSA-N 491.464 6.751 50 10 JKGE COc1cc(NC(=O)[C@H](Br)C2CCCC2)c(Br)cc1Br 2167033396 NQHUWWKVABHLID-CYBMUJFWSA-N 469.999 5.112 50 10 JKGE CCOc1cc(Cl)c([C@H](Br)c2nc(C)sc2Br)cc1Cl 2169497543 ZIOXXAMEVRZDQP-NSHDSACASA-N 460.018 6.404 50 10 JKGE O=C(c1ccc(C(F)(F)F)cc1Cl)N(Cc1ccccc1)[C@H](CBr)C1CC1 2179258779 HWHGDEDQYHUVFV-GOSISDBHSA-N 460.721 6.175 50 10 JKGE Cc1cc(Br)c(C)c([C@H](Br)[C@@]23CCC[C@@H]2OCC3)c1Br 2201064363 XSYNKDIWVUJMBG-VBNZEHGJSA-N 467.039 6.224 50 10 JKGE Cc1cc(Br)c(C)c([C@H](Br)[C@@H]2C[C@]23CCCOC3)c1Br 2201068079 DBPQVZLAJSQCKB-XZJROXQQSA-N 467.039 6.081 50 10 JKGE Cc1cc(Br)c(C)c([C@H](Br)C[C@@H]2C[C@H]2C(F)(F)F)c1Br 2201070015 AHVUDUUQDPEUIV-IQJOONFLSA-N 478.972 6.853 50 10 JKGE Cc1cc(Br)c(C)c([C@@H](Br)CCOCC(F)(F)F)c1Br 2201071498 QSXASIUQGDVMOW-VIFPVBQESA-N 482.960 6.233 50 10 JKGE COc1cc2c(cc1Br)nc([C@H](C)Cl)n2C(C)(C)COCc1ccccc1 2202311952 MFVVXHIFYMQUTL-AWEZNQCLSA-N 451.792 6.059 50 10 JKGE Clc1cc(CN2CCC3(CCC3)[C@H](CBr)C2)ccc1I 2208035106 BWFLVYAFHZWTNS-CYBMUJFWSA-N 468.604 5.332 50 10 JKGE CC[C@@H]1[C@H](Cl)CC[C@H]1c1sc(Br)c(Br)c1Br 2212188978 GUQQWMUOYCLICF-RRKCRQDMSA-N 451.449 6.547 50 10 JKGE Cc1cc(Br)c([C@@H](Br)c2cc(Br)sn2)c(C)c1Cl 2217618762 SBQIXVHKOIEDAH-NSHDSACASA-N 474.443 6.423 50 10 JKGE Cc1cc(Br)c([C@@H](Br)c2ccc(Cl)o2)c(C)c1Br 2220146849 HJVXIXATZFJDJZ-ZDUSSCGKSA-N 457.387 6.559 50 10 JKGE C[C@@H]1OCC[C@@H]1C[C@@H](Br)c1c(Br)cc(Cl)c(Cl)c1Cl 2224309805 CVRSIXWSZTZVFH-XLPZGREQSA-N 451.413 6.660 50 10 JKGE FC1CCC([C@H](Br)c2c(Br)cc(Cl)c(Cl)c2Cl)CC1 2224322453 PAVCNSSQDSNFMK-OGIFLDNPSA-N 453.404 7.374 50 10 JKGE CCN(C[C@@](C)(CI)O[C@](C)(CC)CCCC(C)C)C(=O)OC(C)(C)C 2226055954 DCNDCBFIYCBBLX-NHCUHLMSSA-N 483.475 6.449 50 10 JKGE Fc1cc(F)c([C@H](Cl)c2ccccc2I)c(F)c1Br 2227802621 MZAGJQWHEAVPIE-GFCCVEGCSA-N 461.446 5.799 50 10 JKGE FC(F)([C@H]1CCOC1)[C@H](Br)c1c(Br)cc(Cl)c(Cl)c1Cl 2232508343 DPHBAKXTQKSLKS-ULHQUTTKSA-N 473.366 6.517 50 10 JKGE CCOCc1cc(Br)c([C@@H](Br)c2ccc(F)cc2Br)s1 2233023641 SHXYWTUTCSPXPD-ZDUSSCGKSA-N 487.026 6.433 50 10 JKGE Fc1cc(F)c([C@H](Br)c2cc(Cl)cc(Br)c2)c(F)c1Br 2236108890 LHMIGNLTLUZNRL-LLVKDONJSA-N 493.342 6.767 50 10 JKGE C[C@@]1(c2cc(Br)c(Br)s2)CCC[C@H](CI)O1 2243277396 TWALHLCCDFEVFJ-HQJQHLMTSA-N 480.003 5.492 50 10 JKGE COc1c(Br)cc(Cl)cc1[C@@H](Cl)c1cscc1OCc1ccccc1 2263546823 ZDSSRZBBFXIBBI-GOSISDBHSA-N 458.204 7.080 50 10 JKGE Cc1cc(Br)c([C@@H](Br)c2cc3sc(Br)cc3s2)s1 2263617376 FMTYECXCYWYEQN-NSHDSACASA-N 487.101 7.342 50 10 JKGE COc1c(Cl)cc(Br)cc1[C@@H](Cl)c1scc(Br)c1Cl 2264608759 CRVGXWVWNRVVNZ-SECBINFHSA-N 465.421 6.917 50 10 JKGE COc1ccc([C@H](Cl)c2ccc(Br)c(Cl)c2)cc1I 2269544562 KKQRVUKVJNZOFZ-CQSZACIVSA-N 471.947 6.044 50 10 JKGE COc1ccc([C@H](Cl)c2ccc(C)c(Br)c2)cc1I 2269545744 QZCRZWPFBBHCRH-OAHLLOKOSA-N 451.529 5.699 50 10 JKGE FC[C@@]12CC[C@@]([C@H](Br)c3c(Cl)sc(Br)c3Cl)(CO1)C2 2274671927 VPIRQNDUVVNOGT-ZHAHWJHGSA-N 452.998 6.162 50 10 JKGE CCCN[C@@H](Cc1cc(Br)cc(Br)c1)[C@H]1C[C@@H](Br)C1 2277952601 HCXJJGYTNVPUGM-GLQYFDAESA-N 454.044 5.296 50 10 JKGE COc1c([C@@H](Br)c2cn(C)c(Br)n2)cc(Br)c(C)c1C 2284525544 RWEHTPLRUNPVFQ-GFCCVEGCSA-N 466.999 5.055 50 10 JKGE C[C@H](C1CCCCC1)[C@@H](Br)c1c(F)cc(Br)c(F)c1Br 2288349628 RQKWDWWXZLKCQW-AMIZOPFISA-N 475.009 7.142 50 10 JKGE Cc1ccc([C@H](Br)c2c(F)cc(Br)c(F)c2Br)cc1F 2288373070 FBJGKWZLSBXQGN-LBPRGKRZSA-N 472.924 6.422 50 10 JKGE Cc1ccc(S(=O)(=O)C(C#N)=Cc2c(Oc3cc(C)ccc3C(C)C)nc3ccccn3c2=O)cc1 2296722545 AFDUUBITEFWEAA-UHFFFAOYSA-N 499.592 5.565 50 10 JKGE Cc1ccc(CSC(Nc2cccc(Cl)c2C)=C(C#N)S(=O)(=O)c2ccccc2)c(C)c1 2297349987 JPXBWEHMDWEBAU-UHFFFAOYSA-N 483.058 6.777 50 10 JKGE COc1ccc(N(C(C)=O)c2nc(C=C(C#N)C(=O)Nc3cc(C)c(Cl)cc3OC)cs2)cc1 2297381797 UEBLTRAZVNJPDO-UHFFFAOYSA-N 496.976 5.352 50 10 JKGE CCOC(=O)c1c(NC=C(C#N)c2nc(-c3ccc(F)cc3)cs2)sc(C(C)=O)c1C 2297467520 AXRISMDNDYTKQO-UHFFFAOYSA-N 455.536 5.675 50 10 JKGE N#CC(=Cc1ccccc1OCc1cccc2ccccc12)C(=O)Nc1cc([N+](=O)[O-])ccc1F 2297551546 QQCKNTLSFPIRJJ-UHFFFAOYSA-N 467.456 6.012 50 10 JKGE Fc1c(Br)cc(Cl)c([C@@H](Br)[C@H]2CCCO2)c1Br 2300168965 RKWVAZDCCJTXJW-APPZFPTMSA-N 451.355 5.619 50 10 JKGE FC(F)([C@H](Br)c1sc(Cl)cc1I)[C@@H]1CCOC1 2300949384 LHOHCPFXGXKQGC-MLUIRONXSA-N 457.505 5.114 50 10 JKGE C=CCc1cc(C=C(C#N)C(=O)Nc2ccc(C)cc2)cc(OC)c1OCc1ccccc1C#N 2313567595 IPFVJWIWUJYJTL-UHFFFAOYSA-N 463.537 5.728 50 10 JKGE Cc1ccc(NC(=O)C(C#N)=Cc2cc(Br)ccc2OCc2ccc(F)cc2)c(C)c1 2313667249 JAHBOTBJTBCCLH-UHFFFAOYSA-N 479.349 6.330 50 10 JKGE FC12CCC([C@@H](Br)c3cc(Br)ccc3OCc3ccccc3)(CC1)C2 2314454292 FKSVTHWYEGUELQ-MWXLCCTBSA-N 468.204 7.137 50 10 JKGE N#CC(=Cc1ccc(-c2cccc(C(F)(F)F)c2)o1)c1nc(-c2ccc3ccccc3c2)cs1 2314457077 XWTZDPXSQDEQKY-UHFFFAOYSA-N 472.491 8.306 50 10 JKGE CCCC[C@H](C)CC[C@@H](Br)c1ccc(OCc2ccccc2)cc1Br 2314503858 WQVDPHBPMWHHND-LAUBAEHRSA-N 468.273 8.071 50 10 JKGE Cc1cccc(Oc2nc3ccccn3c(=O)c2C=C(C#N)C(=O)Nc2ccc(Cl)cc2)c1C 2314534061 XGHNZVXGPOBXSK-UHFFFAOYSA-N 470.916 5.303 50 10 JKGE CCCOc1ccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)C=Cc4ccccc4)ccc32)cc1 2314634080 KLQMTGLUFDTWKU-MHZLTWQESA-N 452.510 5.312 50 10 JKGE CC1(C)C[C@H]([C@@H](Br)c2sc(Cl)cc2I)C(C)(C)O1 2316775371 RGTWLSPZOGQXLE-GMSGAONNSA-N 463.606 6.036 50 10 JKGE CO[C@]1(C(F)F)C[C@H]([C@@H](Br)c2cc(Br)c(Br)s2)C1 2320068239 ILDSBZKTZRYGEI-MEQXXCBNSA-N 468.983 5.769 50 10 JKGE COc1cc(C=C(C#N)c2ccccc2F)ccc1OC(=O)C=Cc1ccc(Cl)cc1Cl 2320506598 MXBOCSILDFPVQL-UHFFFAOYSA-N 468.311 6.824 50 10 JKGE C[C@H](Br)[C@@H]1CCCCN1Cc1ccc(I)c(Br)c1 2325214581 PUDBHJMUUHFVOU-HZMBPMFUSA-N 487.017 5.192 50 10 JKGE Cc1cccc(NC(=O)C(C#N)=CN2CCN(C(c3ccccc3)c3ccccc3)CC2)c1C 2325342728 QHXNNBIZBYLCKP-UHFFFAOYSA-N 450.586 5.057 50 10 JKGE CCOc1ccc(NC=C(C#N)C(=O)Nc2ccc(Cl)c(C(F)(F)F)c2)cc1OCC 2325382941 LVFHXNQCTCHFCE-UHFFFAOYSA-N 453.848 5.614 50 10 JKGE CCN(c1ccccc1)S(=O)(=O)c1ccccc1NC(=O)C(C#N)=Cc1cccc(Cl)c1 2329687148 TYCVPXMYANIQAC-UHFFFAOYSA-N 465.962 5.101 50 10 JKGE CSCC[C@H](NC(=O)C(C)=Cc1cccc(Cl)c1)C(=O)Nc1ccc(SC#N)cc1 2330530501 WNIGJLGZPDWTON-FQEVSTJZSA-N 460.024 5.193 50 10 JKGE COc1cc(C=C(C#N)c2nc(O)c3ccccc3n2)ccc1OCc1ccc(Br)cc1 2331030103 SHYQVIACMCHTAS-UHFFFAOYSA-N 488.341 5.750 50 10 JKGE N#CC(=C(O)C=Cc1ccc(Cl)cc1Cl)c1nc(-c2ccc(Cl)cc2Cl)cs1 2331251328 QSPYCKIVEKWDBA-UHFFFAOYSA-N 468.192 7.930 50 10 JKGE CC[C@@H](C)N1C(=O)c2ccc(C(O)=C(C#N)c3nc(-c4ccc(F)cc4F)cs3)cc2C1=O 2331286553 IHIMGLAEDGCRAY-GFCCVEGCSA-N 465.481 5.433 50 10 JKGE Cc1ccc(-c2csc(C(C#N)=C(O)c3ccc4c(c3)C(=O)N(Cc3ccco3)C4=O)n2)cc1 2331313541 SGXALFFMKOBIAR-UHFFFAOYSA-N 467.506 5.458 50 10 JKGE CCOc1ccc(OCC)c(-c2csc(C(C#N)=C(O)C=Cc3ccc(C(C)(C)C)cc3)n2)c1 2331376539 QACNDLYWHKCPKS-UHFFFAOYSA-N 474.626 7.411 50 10 JKGE COc1c(C)cc(Cl)cc1-c1csc(C(C#N)=C(O)CCc2nc3ccccc3[nH]c2=O)n1 2331392310 PNGRCTPXUXEJPF-UHFFFAOYSA-N 478.961 5.443 50 10 JKGE CCCCCCOc1ccc(C(O)=C(C#N)c2nc(-c3cc(Cl)ccc3OC)cs2)cc1 2331410889 NPBSMHGIJZKRJJ-UHFFFAOYSA-N 469.006 7.381 50 10 JKGE COc1cc(C=C(C#N)c2nc(-c3ccc(Cl)cc3)cs2)cc(Br)c1OC(C)C 2331439994 NQELGQGOLYRVGZ-UHFFFAOYSA-N 489.822 7.086 50 10 JKGE CCCCOc1ccc(C=C(C#N)c2nc(-c3cc(OCC)ccc3OCC)cs2)cc1OCC 2331470124 KNYFLDQPVFBXCK-UHFFFAOYSA-N 492.641 7.249 50 10 JKGE FC1(F)CC2(CC([C@H](Br)c3ccc(OCc4ccccc4)cc3Br)C2)C1 2336039515 XNGKMWHAGISTSV-IBGZPJMESA-N 486.194 7.290 50 10 JKGE Brc1sncc1[C@H](Br)c1ccc(Br)c2ccccc12 2337312320 WSHHDFKMZWMZCK-CYBMUJFWSA-N 462.004 6.306 50 10 JKGE CC(C)(C)OC(=O)NCC[C@H]1CCN(CCCCCI)[C@@H](C(F)(F)F)C1 2337586834 BZXMAHAKZWBYGJ-LSDHHAIUSA-N 492.364 5.149 50 10 JKGE CCn1nc(C)c(CCl)c1Oc1cc(Br)cc(I)c1 2338759461 XQLYWGIXZKSFBI-UHFFFAOYSA-N 455.521 5.110 50 10 JKGE Cc1cc(Br)c(F)c(Br)c1[C@@H](Br)[C@@H]1[C@H]2CCCC[C@H]21 2339646225 PDBJQITUZXQWGQ-FIDNZITISA-N 455.003 6.531 50 10 JKGE Cc1cc(Br)c(F)c(Br)c1[C@@H](Cl)c1ccccc1Br 2339652213 XCUHIFKEOLPMCK-ZDUSSCGKSA-N 471.389 6.750 50 10 JKGE COc1c(Br)cc(C)c([C@H](Br)[C@@H](C)C(F)(F)F)c1Br 2339675068 PMRLJRAAIADBLT-HZGVNTEJSA-N 468.933 6.163 50 10 JKGE COc1c(Br)cc(C)c([C@H](Br)[C@]23C[C@@H](C)[C@H]2C3)c1Br 2339676170 UWNFIJQRMJGGES-LQNCWFGHSA-N 453.012 6.011 50 10 JKGE COCCC1([C@@H](Br)c2c(C)cc(Br)c(F)c2Br)CC1 2339680815 AUVVNEWUJQFWAS-ZDUSSCGKSA-N 458.991 5.912 50 10 JKGE CN(C[C@@H](Br)COCc1ccccc1)C(=O)CCc1cc(Cl)cc(Cl)c1 2341172611 ZKNPJYJXXVQSBP-QGZVFWFLSA-N 459.211 5.365 50 10 JKGE Fc1cc([C@@H](Br)c2ccc(Br)cc2Br)c(Cl)cc1Cl 2351643045 REXOYEIVIHHRBO-ZDUSSCGKSA-N 491.807 7.142 50 10 JKGE Fc1cc(Cl)c(Br)c(Cl)c1[C@H](Cl)c1ccc(Br)cc1Cl 2360430269 WVXGOTZGUYAOSH-GFCCVEGCSA-N 481.801 7.639 50 10 JKGE FC(F)Oc1ccccc1[C@H](Cl)c1ccc(OCc2ccccc2)cc1Br 2361215702 VTGMUXHCFJGHGU-HXUWFJFHSA-N 453.710 6.958 50 10 JKGE COc1ccc(C[C@@H](Br)c2ccc(F)c(Br)c2)c(Br)c1 2364260918 JVBOIJHKOQDROO-GFCCVEGCSA-N 466.970 6.038 50 10 JKGE Fc1ccccc1[C@@H](CBr)OCc1c(Br)cccc1Br 2366145871 YXPLQYNNZXOGOH-OAHLLOKOSA-N 466.970 6.004 50 10 JKGE CC1(C)CC(CBr)(CN2CCN(C(=O)OC(C)(C)C)CC[C@H]2C(F)(F)F)C1 2371149763 VUPMXZVYBUEKSN-AWEZNQCLSA-N 457.375 5.061 50 10 JKGE CC(C)(C)OC(=O)NC[C@@H]1CC[S@](=O)(=NC[C@@](C)(CBr)C(C)(C)C)C1(C)C 2380168658 OIGOOEPGCSQMKX-LSJIGCQOSA-N 467.514 5.225 50 10 JKGE Clc1ccc(I)cc1CO[C@H]1C[C@H](Br)C12CCCCC2 2380342161 CIJCUYDFDWCTRQ-GJZGRUSLSA-N 469.588 5.948 50 10 JKGE CC(C)(C)c1ccc(OCC(=O)NNC(=O)C(c2ccccc2)c2ccccc2)c(Br)c1 12403500 HJCNNWZWHJFYQI-UHFFFAOYSA-N 495.417 5.105 50 10 JKGE CCOc1cc(/C=C(\C#N)C(=O)Nc2cc(C)cc(C)c2)ccc1OCc1ccccc1C#N 20176017 FOABEJNONUDZJJ-ZVHZXABRSA-N 451.526 5.699 50 10 JKGE COc1cc(/C=C(/C#N)c2cccc(Cl)c2)ccc1OC(=O)CCN1C(=O)c2ccccc2C1=O 31902399 UBIQQPFGBGAGLS-UYRXBGFRSA-N 486.911 5.004 50 10 JKGE CCN(CC)CCOC(=O)c1ccc(N/C=C(/C#N)c2nc(-c3cccs3)cs2)cc1 33757505 UAEMZQSLSAZKOY-SDXDJHTJSA-N 452.605 5.347 50 10 JKGE CCCOc1ccc(-c2nn(-c3ccccc3)cc2/C=C(/C#N)c2nc(O)c3ccccc3n2)c(C)c1 34988458 MNOSAXFCFIIOAY-FXBPSFAMSA-N 487.563 6.350 50 10 JKGE N#C/C(=C\c1c[nH]nc1-c1ccccc1)c1nc(-c2cc3c(ccc4ccccc43)oc2=O)cs1 35519187 YQEPLLSRHAIHFZ-XDHOZWIPSA-N 472.529 6.524 50 10 JKGE CCc1ccc2oc(C(=O)Oc3ccc4c(c3)OC(N)=C(C#N)[C@H]4c3ccc([N+](=O)[O-])cc3)c(C)c2c1 38688235 QDKQLMJLYXCHAN-VWLOTQADSA-N 495.491 5.649 50 10 JKGE CCOc1ccc(/C=N/N(C(=O)C2CCCCC2)c2nc3ccc(Br)cc3s2)cc1 39713709 NTNWRJITTGPZCY-MFKUBSTISA-N 486.435 6.405 50 10 JKGE Cc1c(C(=O)Nc2nc3ccccc3s2)oc2c1/C(=N/NC(=O)c1cccc(Cl)c1)CCC2 40813332 WTONAYCGQNGOPW-OGLMXYFKSA-N 478.961 5.574 50 10 JKGE Cc1cccc(NC(=O)c2oc3c(c2C)/C(=N/NC(=O)c2ccc(Cl)c([N+](=O)[O-])c2)CCC3)c1 40813468 NSJOVTOMBUTIRH-OVVQPSECSA-N 480.908 5.181 50 10 JKGE C#CCOc1c(CC=C)cc(/C=C(\C#N)C(=O)Nc2cccc(Cl)c2Cl)cc1OCC 59336555 ZUMHDVQLYKZFOM-QGOAFFKASA-N 455.341 5.678 50 10 JKGE Cc1cc(/C=C(/C#N)C(=O)Nc2ccc(F)cc2)c(C)n1-c1ccc(N2CCCCC2)c([N+](=O)[O-])c1 97441903 QSKYGPCEKLNGLQ-QNGOZBTKSA-N 487.535 5.677 50 10 JKGE Cc1ccc(N2C(=O)[C@@H](Cc3ccccc3Cl)S/C2=C(/C#N)C(=O)NCc2ccco2)cc1C 101242649 RHQBRWXZZJENAW-GFPZRUSRSA-N 492.000 5.293 50 10 JKGE Cc1ccc(NC(=O)/C(C#N)=C2/S[C@H](Cc3ccc(F)cc3)C(=O)N2c2ccccc2)cc1Cl 102666057 NWINUPDOWQAFKP-QPSWJSTDSA-N 491.975 5.853 50 10 JKGE Cc1ccc(C)c(NC(=O)/C(C#N)=C2/S[C@@H](Cc3cccc(Cl)c3)C(=O)N2c2ccccc2)c1 102973470 DBMIJHYBVLQVQD-ABPPERTMSA-N 488.012 6.022 50 10 JKGE CN1/C(=C/P(=Nc2ccc([N+](=O)[O-])cc2)(c2ccccc2)c2ccccc2)C(C)(C)c2ccccc21 105905102 JJGRBCBYEOAYOO-QUPMIFSKSA-N 493.547 7.348 50 10 JKGE Fc1cccc(C(CBr)(CBr)Cc2cncc(Br)c2)c1 169004194 IPVFLQYRYWZDCK-UHFFFAOYSA-N 465.986 5.254 50 10 JKGE CCCCCCOc1ccc(/C=C(/C#N)C(=O)Nc2sc(C)c(C)c2C(=O)OCC)cc1OC 206179973 FNXQOQQHDJEKMA-ZHZULCJRSA-N 484.618 6.055 50 10 JKGE Brc1ccc(I)c([C@@H](Br)c2cccs2)c1 232483373 VNESQBOYZGJJEP-LLVKDONJSA-N 457.956 5.600 50 10 JKGE COc1ccc(Br)cc1[C@H](Br)c1ccc(Cl)cc1Br 234814468 MACQUPQGLBNHLZ-CQSZACIVSA-N 469.398 6.358 50 10 JKGE C/C(C=NNC(=O)CSc1nnc(-c2ccccc2)n1-c1ccc(C)cc1)=C/c1ccccc1 254713942 HCCZXBQSHNUJBZ-DFTSQNTASA-N 467.598 5.540 50 10 JKGE COc1ccc(-c2nnc(SCC(=O)NN=C(C)c3ccc(F)cc3)n2-c2ccc(C)cc2)cc1 254869553 KVYSBPJNOCRPKM-UHFFFAOYSA-N 489.576 5.023 50 10 JKGE Cc1cc([C@@H](Br)c2c(C)cc(C)c(Br)c2C)sc1Br 305949225 COIPVVCOPHYSIS-CQSZACIVSA-N 467.064 6.991 50 10 JKGE Clc1cc([C@H](Br)c2ccc(OCc3ccccc3)cc2)sc1Br 309872524 RUEIZXFVCZWUIA-QGZVFWFLSA-N 472.629 7.227 50 10 JKGE O=C(N[C@@H]1c2ccccc2C[C@H]1Br)c1cc(Br)sc1Br 312185495 CSRULWODNUXVKZ-ZYHUDNBSSA-N 480.019 5.064 50 10 JKGE O=C(N[C@@H](CBr)C1CCCCC1)c1cc(Br)cc(Br)c1 386178113 BVSVOXMQOZVALS-AWEZNQCLSA-N 468.027 5.285 50 10 JKGE CC1(C)C[C@H](Br)CCN(C(=O)c2cc(Br)c(Br)s2)C1 395381433 ROAUXCXXKUVLON-MRVPVSSYSA-N 474.056 5.299 50 10 JKGE C[C@H]1CN(Cc2ccccc2)CC[C@@H]1n1c(CCCl)nc2cc(I)ccc21 397981027 XJDXUISMZLJWDF-JXFKEZNVSA-N 493.820 5.505 50 10 JKGE CC(C)(C)OC(=O)NCCN1CCOC[C@@H](c2cccc(CCO[Si](C)(C)C(C)(C)C)c2)C1 616663943 QKJRLIJLJPAHBH-QHCPKHFHSA-N 478.750 5.191 50 10 JKGE Brc1cc2c(cc1[C@@H](Br)c1ncsc1Br)OCCCO2 698684937 YWFPPMSWGIVPCX-LLVKDONJSA-N 484.007 5.314 50 10 JKGE Fc1ccc(CBr)c(OCc2cc(Cl)ccc2I)c1F 700737276 HPAKWRATQUDYLK-UHFFFAOYSA-N 473.482 5.697 50 10 JKGE CC1(C)C[C@@H]([C@@H](Br)c2cc(Br)ccc2Br)C(C)(C)O1 710053068 KUYPFQVUHVJCLP-AAEUAGOBSA-N 455.028 6.241 50 10 JKGE COc1cc(Br)c([C@H](Br)c2occc2Br)cc1OC 711260464 ZXWHUQSXDXGXPK-LBPRGKRZSA-N 454.940 5.306 50 10 JKGE Cc1ccc(C[C@@H](Br)c2ccc(I)c(Br)c2)nc1 721580091 SMGZWKAJOIJNRQ-GFCCVEGCSA-N 480.969 5.436 50 10 JKGE Cc1cc(C=NNC(=O)[C@H](C)SCc2ccccc2)c(C)n1-c1ccc(Br)cc1 1083946892 QQKLGPQGPAJCDW-SFHVURJKSA-N 470.436 5.629 50 10 JKGE Cc1cc(C=NNC(=O)c2cc3cc(Br)ccc3o2)c(C)n1-c1ccc(C(C)C)cc1 1084103068 RSDJKKXGSAQMHZ-UHFFFAOYSA-N 478.390 6.490 50 10 JKGE C[C@@H]1CCCC(=NNC(=O)COc2ccc3cc(Br)ccc3c2Br)C1 1084109220 SHXMZLMBGPRION-GFCCVEGCSA-N 468.189 5.426 50 10 JKGE CC(=NNC(=O)COc1ccccc1C)c1ccc2c(c1)[C@@H]1C=CC[C@@H]1[C@H](c1ccccc1)N2 1084223380 NXIHVZPLEXTWHF-UQARTHHBSA-N 451.570 5.741 50 10 JKGE CCCCOc1ccc([C@H]2CN(C(=O)OC(C)(C)C)C[C@@H]2CI)cc1 1614614830 KCMXXUBTPPIBSV-FUHWJXTLSA-N 459.368 5.251 50 10 JKGE CCCCOc1ccc([C@@H]2C(C#N)=C(N)Oc3c2c(C(F)(F)F)nn3Cc2ccc(F)cc2)cc1 1865689539 BQEBQMMEAVPRHT-HXUWFJFHSA-N 486.469 5.486 50 10 JKGE CCCCOc1ccc([C@H]2C(C#N)=C(N)Oc3c2c(C(F)(F)F)nn3-c2ccc(OC)cc2)cc1 1865689938 HAXNJSDFABQTAJ-FQEVSTJZSA-N 484.478 5.297 50 10 JKGE COc1ccc(-n2nc(C)c3c2OC(N)=C(C#N)[C@@H]3c2ccc(OCc3ccc(C)cc3)cc2)cc1 1865693733 QPKOIIYKXCDQIA-MHZLTWQESA-N 478.552 5.295 50 10 JKGE N#CC1=C(N)Oc2c(c(-c3ccccc3)nn2-c2ccccc2)[C@@H]1c1cc(Br)ccc1O 1865695993 JLSHVZYOGHVMSL-OAQYLSRUSA-N 485.341 5.226 50 10 JKGE CCCCCOc1ccc([C@H]2C(C#N)=C(N)Oc3c2c(CC)nn3-c2ccc(Cl)cc2)cc1OC 1865696468 NLQZSDRLUYMSDL-DEOSSOPVSA-N 493.007 5.884 50 10 JKGE CCCCCCOc1ccc([C@H]2C(C#N)=C(N)Oc3c2c(C)nn3-c2ccc(OC)cc2)cc1OC 1865697289 ZFENBIQTWBTHMK-SANMLTNESA-N 488.588 5.375 50 10 JKGE CCCc1nn(Cc2ccc(Cl)c(Cl)c2)c2c1[C@H](c1cn(C)c3ccccc13)C(C#N)=C(N)O2 1865698705 ASEYCJRCWIXAHB-QHCPKHFHSA-N 492.410 5.901 50 10 JKGE CCCc1nn(-c2cccc3ccccc23)c2c1[C@H](c1cn(C)c3ccccc13)C(C#N)=C(N)O2 1865699517 WDUPBPPPDKDFBX-SANMLTNESA-N 459.553 5.688 50 10 JKGE C[C@H](CC(=O)N[C@@H](Cc1ccc(F)cc1)C(=O)Nc1ccc(SC#N)cc1)c1ccc(Cl)cc1 1866709401 AWGPXXTVJYYYSU-OSPHWJPCSA-N 496.007 5.912 50 10 JKGE COc1cccc([C@@H](C)CC(=O)N[C@@H](Cc2ccccc2)C(=O)Nc2ccc(SC#N)cc2)c1 1867110684 KFSDZTXELZJCOH-DFBJGRDBSA-N 473.598 5.128 50 10 JKGE CC(C)(C)c1ccc(-c2nc(Nc3ccc(SC#N)cc3)cc(N3CCC[C@H](CO)C3)n2)cc1 1868544904 NLJSQUNDKGXKLU-IBGZPJMESA-N 473.646 5.967 50 10 JKGE N#C/C(=C(/O)COc1ccc(Cl)cc1Cl)c1nc(-c2ccc3c(c2)CCCC3)cs1 1872745518 RAHXGZNKCYZYPE-UZYVYHOESA-N 457.382 6.867 50 10 JKGE CCOc1ccc(OCC)c(-c2csc(/C(C#N)=C(\O)COc3ccccc3OCC)n2)c1 1872754708 FITUOBXBDSJWQQ-VZCXRCSSSA-N 466.559 5.878 50 10 JKGE COc1c(Cl)cc(-c2csc(/C(C#N)=C(\O)c3cccc(Br)c3)n2)cc1Cl 1872756205 UOAJJHIERIAJAO-LGMDPLHJSA-N 482.186 6.838 50 10 JKGE N#C/C(=C\c1ccccc1OCc1ccccc1Cl)c1nc(-c2ccc3ccccc3c2)cs1 1872782709 QFJQQADTXSOQSI-PCLIKHOPSA-N 479.004 8.260 50 10 JKGE CCCOc1ccc(-c2csc(/C(C#N)=C/c3ccc(Br)cc3)n2)cc1OCCC 1872790021 FOAZTSGWSCXTIL-CPNJWEJPSA-N 483.431 7.214 50 10 JKGE N#C/C(=C\c1ccccc1OCc1ccccc1Cl)c1nc(-c2c[nH]c3ccccc23)cs1 1872791726 RFSPKIXGGLRSFB-DEDYPNTBSA-N 467.981 7.588 50 10 JKGE CCOc1ccc(/C=C(\C#N)c2nc(-c3cc(Cl)cc(C)c3OC)cs2)cc1OCC 1872794247 QTGWCVDOKCLQFL-LICLKQGHSA-N 454.979 6.642 50 10 JKGE COc1ccc(-c2csc(/C(C#N)=C/c3cccc(OCc4ccccc4)c3)n2)c(OC)c1OC 1872794968 GSHGBLJSXFFMKE-KGENOOAVSA-N 484.577 6.479 50 10 JKGE O=C(N/N=C/c1cccc(OCc2ccccc2Cl)c1)c1ccc2[nH]c3c(c2c1)CCCC3 1873498487 QAEWDJAGKGVZRC-MUFRIFMGSA-N 457.961 6.043 50 10 JKGE CC[C@@H](Cl)c1c(Br)c(Br)cc(Br)c1Br 1906131972 MZKQIODRAUPHLO-ZCFIWIBFSA-N 470.224 6.427 50 10 JKGE CC[C@H](Br)CN(Cc1ccccc1)c1ncc(Br)cc1Br 1915099397 SPWZZEXYDWUYPV-ZDUSSCGKSA-N 477.038 5.787 50 10 JKGE CCc1ccsc1[C@H](Br)c1sc(Br)c(C)c1Br 1922943652 WCZRRVRFCYTKLO-VIFPVBQESA-N 459.066 6.690 50 10 JKGE Fc1ccccc1[C@@H](Br)c1c(Br)sc(Br)c1Cl 1923071548 JJLUHVSNKUGFDM-MRVPVSSYSA-N 463.391 6.550 50 10 JKGE CC(C)C1CC([C@H](Br)c2c(Br)sc(Br)c2Cl)C1 1923074017 FQRFNAGSUGJGDJ-IEIXJENWSA-N 465.476 7.045 50 10 JKGE C[C@@H](c1ccncc1Br)[C@@H](Br)c1cc(Br)ccc1Cl 1924042316 ZQTCGEVYXRPCAX-RMLUDKJBSA-N 468.414 6.500 50 10 JKGE CCC1CC([C@@H](Cl)c2c(Br)sc(Br)c2Br)C1 1924569561 XDIGROYVOFECIM-GVNUUABZSA-N 451.449 6.752 50 10 JKGE COc1c(C)cc(Br)c(C)c1[C@@H](Br)c1csnc1Br 1925257297 SQWMGJWUJUCMJU-NSHDSACASA-N 470.024 5.778 50 10 JKGE O=C(N[C@@H](CBr)CC1CCCC1)c1cc(Br)ccc1Br 1926735938 LWSSCHYKIKIRQH-GFCCVEGCSA-N 468.027 5.285 50 10 JKGE CCCc1ccc([C@@H](Br)c2cc(Br)sc2Br)s1 1940267361 JMDOBXNIUOIEDR-NSHDSACASA-N 459.066 6.771 50 10 JKGE Brc1ccc([C@H](Br)c2cscc2Br)c(Br)c1 1994121598 BXMFDHAZGGWJQI-NSHDSACASA-N 489.852 6.520 50 10 JKGE Cc1sc(Br)cc1[C@H](Br)c1nn(C)c(Cl)c1Br 2001990818 DPHOMZFYKMMESQ-ZETCQYMHSA-N 463.420 5.453 50 10 JKGE CCCc1ccc([C@H](Br)c2cccc(Br)c2Br)s1 2031481479 HFIOXYBCTAZDLH-CQSZACIVSA-N 453.037 6.710 50 10 JKGE N#CC(=C(Cl)c1ccc(Br)cc1I)c1cscn1 2086153321 KAFVUIZLPFMQSA-UHFFFAOYSA-N 451.514 5.141 50 10 JKGE Fc1cc(CBr)ccc1OCc1ccc(Br)cc1Br 2092266947 NQIDJFIYIUWIAZ-UHFFFAOYSA-N 452.943 5.825 50 10 JKGE CCC(F)(F)CCC(CBr)(CBr)c1ccc(Br)cc1 2097129457 VZAIAUIBXYQTPK-UHFFFAOYSA-N 462.998 6.302 50 10 JKGE CCCCO[C@@H]1[C@@H](Br)C[C@H]1Oc1c(Br)cccc1Br 2118394855 PJWGWWLKSBUTLQ-OUCADQQQSA-N 457.000 5.312 50 10 JKGE CN(C[C@H](Cl)C1CCCCC1)c1ncc(I)cc1Br 2133375007 ZULMNLYWELKSTP-ZDUSSCGKSA-N 457.581 5.073 50 10 JKGE Cc1cc(F)c(Cl)cc1[C@@H](Cl)c1cc(Br)ccc1I 2137050556 CZCACRVQZHFYDM-CQSZACIVSA-N 473.938 6.483 50 10 JKGE BrCC(CBr)(Cc1ccccc1)Cc1csc(Br)c1 2139781922 YUJVAYLBJMSCTB-UHFFFAOYSA-N 467.064 6.072 50 10 JKGE Cc1ccc([C@@H](Br)c2csc(Br)c2Br)c2ccccc12 2150341542 FIQIGACEWMJVGO-CQSZACIVSA-N 475.043 7.219 50 10 JKGE COc1cc(F)c(Br)cc1[C@@H](Cl)c1c(Br)cccc1Br 2150492829 FOXHKYPKHAACHX-CQSZACIVSA-N 487.388 6.450 50 10 JKGE Cc1sc([C@H](Br)c2cc(Br)cc(C(F)(F)F)c2)cc1Br 2172413049 SVZMUURLIFBIKZ-GFCCVEGCSA-N 492.980 7.085 50 10 JKGE CN(C(=O)c1ccc(Br)cc1Br)[C@@H]1CCCCC[C@@H]1Br 2172546957 KFLIMVMFKQPFSK-GXTWGEPZSA-N 468.027 5.380 50 10 JKGE F[C@H](COc1c(Br)cc(Br)cc1CBr)C1CCOCC1 2178089646 AVJXRKPSXFEYHY-CYBMUJFWSA-N 474.990 5.250 50 10 JKGE Cc1c(F)cc(CBr)cc1S(=O)(=O)N(CCC(F)(F)F)Cc1ccccc1 2179863202 IOWDNPLVWAZFEJ-UHFFFAOYSA-N 468.310 5.172 50 10 JKGE CCn1cc(Br)c([C@H](Br)c2cc(Br)c(C)cc2OC)n1 2181175675 MNDNBSLGHZEIEV-CYBMUJFWSA-N 466.999 5.229 50 10 JKGE CC(C)(C)OC(=O)N1CCC(CI)(OC[C@H]2C[C@@H]2C2CCCCCC2)CC1 2200761017 QCXJGMCVBCYFGN-RTBURBONSA-N 491.454 5.814 50 10 JKGE Cc1cc(Br)c(F)c([C@H](Cl)c2ccc(Br)c(C)c2Br)c1 2203707698 XBNNIBNVXWDMFN-CQSZACIVSA-N 485.416 7.058 50 10 JKGE COc1cc(F)c(F)cc1[C@H](Br)c1cc(Br)ccc1Br 2204498805 VLADGZISBYAECU-CQSZACIVSA-N 470.933 5.983 50 10 JKGE Cc1cc([C@@H](Cl)c2csc3c(Br)cccc23)ccc1I 2207104058 QDHLUKGFMUDIHW-OAHLLOKOSA-N 477.592 6.905 50 10 JKGE BrCc1cc(Br)ccc1OC[C@H]1CC1(Br)Br 2210244964 IXALGCUNAJNWHX-MRVPVSSYSA-N 477.816 5.229 50 10 JKGE Cc1cc2c(cc1Cl)nc(CCCl)n2CCCN(Cc1ccccc1)Cc1ccccc1 2221262874 KMMGEVNSOGOXBY-UHFFFAOYSA-N 466.456 6.872 50 10 JKGE FC(F)CCCCOc1c(Br)cc(Br)cc1CBr 2222514563 BNPOZCZFMVOSDA-UHFFFAOYSA-N 450.943 5.921 50 10 JKGE CCCCCCCCCCCO[C@@H]1CN(C(=O)OC(C)(C)C)C[C@@H]1I 2223236105 YCIORPXSHBQXSF-ZWKOTPCHSA-N 467.432 5.957 50 10 JKGE Fc1cc(Br)c(Br)cc1[C@@H](Br)c1cscc1C(F)F 2225634732 QWGHFPWSEYXUHE-LLVKDONJSA-N 478.953 6.834 50 10 JKGE CC1(C)CCC[C@@](CBr)(Cc2c(Br)cccc2Br)O1 2226865076 LDZPTNSESCMIKH-HNNXBMFYSA-N 455.028 5.867 50 10 JKGE Cc1cc(Br)c([C@H](Br)[C@@H]2[C@@H]3CCOC[C@H]32)c(C)c1Br 2227363106 TXXHQQHUOIMZFQ-VWFAINMRSA-N 453.012 5.547 50 10 JKGE CCn1cc([C@H](Br)c2c(Br)cc(C)c(Cl)c2C)nc1Br 2232514470 UUQLCOBBAAJFNL-LBPRGKRZSA-N 485.445 6.183 50 10 JKGE Cc1cc(Br)c([C@H](Br)c2cccc(F)c2F)c(C)c1Br 2235601572 AMTZYGASDIVMIX-CQSZACIVSA-N 468.961 6.591 50 10 JKGE Cc1cc(Br)c([C@H](Cl)c2cc(Cl)ccc2Cl)c(C)c1Br 2235606883 XOQKXJYZMYQCRJ-OAHLLOKOSA-N 457.420 7.463 50 10 JKGE COCc1cc(Br)c([C@@H](Br)c2ccc(OC)cc2Br)s1 2240820997 AJQIOTIQZCFCHG-ZDUSSCGKSA-N 485.035 5.912 50 10 JKGE C[C@H](Cl)CN(Cc1ccccc1)C(=O)Cc1cc(Br)cc(Br)c1 2245972547 GAICKJLIGZYTAW-ZDUSSCGKSA-N 459.609 5.410 50 10 JKGE Cc1sc(Br)c([C@H](Br)c2scc(Br)c2Cl)c1C 2246466269 GWFFFXSXGFUKAV-QMMMGPOBSA-N 479.484 7.089 50 10 JKGE Cc1cc(Br)c([C@@H](Br)c2ccsc2Br)c(C)c1F 2253513529 RPDVVJVNJRMVIQ-NSHDSACASA-N 457.000 6.513 50 10 JKGE Cc1cc([C@@H](Br)c2cc(F)c(Br)cc2Cl)sc1Br 2255967399 FNYWSKZITBZIAF-NSHDSACASA-N 477.418 6.858 50 10 JKGE CCCc1ccc([C@@H](Br)c2ccc(Cl)c(I)c2)s1 2256338644 KPYORNFBPZMEIA-AWEZNQCLSA-N 455.586 6.443 50 10 JKGE Cc1cc(F)c(Br)cc1[C@@H](Br)c1cc(Br)c(C)s1 2258093175 XMVRVUSGCAWWFI-CYBMUJFWSA-N 457.000 6.513 50 10 JKGE Fc1cc([C@H](Cl)c2ccc(Br)cc2Br)c(Cl)cc1Br 2267749378 LZYDZXPCEZUSBA-CYBMUJFWSA-N 491.807 7.095 50 10 JKGE Fc1cc(Br)c(Br)cc1[C@@H](Cl)c1cccc(Cl)c1Br 2267967975 QOHYFPOHWIHTDO-ZDUSSCGKSA-N 491.807 7.095 50 10 JKGE Fc1cc(Br)c(F)c(Br)c1[C@@H](Br)C(C1CC1)C1CC1 2272725908 HBVTWMYHAQMJLN-LBPRGKRZSA-N 458.966 6.362 50 10 JKGE Fc1cc(Br)c(F)c(Br)c1[C@H](Br)[C@H]1CCC[C@H](F)C1 2272746871 CQOCSNBDSVAJME-OKTBNZSVSA-N 464.945 6.454 50 10 JKGE CC(C)C[C@@H](C(C)C)[C@H](Br)Cc1cc(Br)cc(Br)c1 2277962957 OAXLWYOORRWEKK-JKSUJKDBSA-N 455.072 6.836 50 10 JKGE Cc1cc(C)c([C@H](Cl)c2c(F)cccc2I)c(C)c1Br 2282782695 CUAVPWGGCKMAPR-INIZCTEOSA-N 467.547 6.446 50 10 JKGE Fc1cc(Br)c([C@@H](Cl)c2cccc(Cl)c2Br)c(F)c1Cl 2283199125 BDCUMXKKTPMHAK-NSHDSACASA-N 465.346 7.125 50 10 JKGE C=CCOc1ccc(C=C(C#N)C(=O)Nc2ncc(Cc3ccc(Br)cc3)s2)cc1 2293038738 WWMJFQLBCMJWLK-UHFFFAOYSA-N 480.387 5.607 50 10 JKGE COc1cc(C)c(Cl)cc1[C@@H](Br)c1ccc(C)c(I)c1 2295364668 HSJINCYXDLNNSX-INIZCTEOSA-N 465.556 6.054 50 10 JKGE COc1ccc(-c2csc(C(C#N)=CNc3ccc(Br)cc3F)n2)cc1OC 2296764747 KHMROCFEKWBSDH-UHFFFAOYSA-N 460.328 5.705 50 10 JKGE CCOc1ccc(-c2csc(C(C#N)=CNc3ccc(I)cc3)n2)cc1 2296800831 YXUYACWIIQODPI-UHFFFAOYSA-N 473.339 5.790 50 10 JKGE COC(=O)c1c(NC(=O)C(C#N)=Cc2ccc(-c3cc(Cl)ccc3Cl)o2)sc(C)c1C 2296833316 WRYCITREYRIUCX-UHFFFAOYSA-N 475.353 6.264 50 10 JKGE N#CC(=Cc1ccccc1[N+](=O)[O-])c1nc(-c2cc3cc(Br)ccc3oc2=O)cs1 2297213696 FPCHPYZBBUTQGZ-UHFFFAOYSA-N 480.299 5.651 50 10 JKGE Brc1ccc(OCc2ccccc2)c([C@H](Br)[C@]23CCCC[C@H]2C3)c1 2299501257 MKNCFRDCIKGJLT-NDXORKPFSA-N 450.214 7.044 50 10 JKGE Cl[C@H](c1ccc(OCc2ccccc2)cc1Br)c1ccccc1OCc1ccccc1 2299504868 QVZHRFYLUIMJEM-HHHXNRCGSA-N 493.828 7.935 50 10 JKGE CO[C@@H]1C[C@@]2([C@@H](Br)c3cc(Br)ccc3OCc3ccccc3)C[C@@H]12 2299532172 DEKIADHRYNGTCP-RNQOJCNYSA-N 452.186 5.889 50 10 JKGE CCN(C[C@](C)(CI)OC1C[C@H]2CC[C@H](C1)C2)C(=O)OC(C)(C)C 2299545976 VPRWWDKUKFSISG-DOXZYTNZSA-N 451.389 5.032 50 10 JKGE Cc1cc(Br)c(F)c(Br)c1[C@H](Br)[C@H]1C[C@@H](Br)C1 2301492396 OOGXVIUJVHSNDS-MATHAZKKSA-N 493.834 6.269 50 10 JKGE Fc1cc(Cl)c(Br)c(Cl)c1[C@@H](Cl)c1sncc1Br 2313744235 OBLSMONPKFQASJ-SECBINFHSA-N 454.373 6.442 50 10 JKGE FC1(F)[C@@H]2COC[C@@]21[C@@H](Br)c1ccc(OCc2ccccc2)cc1Br 2314439706 JNHFIKPLDMMNLA-SQNIBIBYSA-N 474.139 5.746 50 10 JKGE CC[C@H]1CC[C@H]([C@H](Br)c2cc(Br)ccc2OCc2ccccc2)CC1 2314448455 HUYQKDPSIIWTEG-ZJBJCVSYSA-N 466.257 7.681 50 10 JKGE CCCCOc1cccc(-c2nn(-c3ccccc3)cc2C=C(C#N)C(=O)NCc2ccccc2)c1 2314476130 JFZVFBYRBCDKKC-UHFFFAOYSA-N 476.580 5.942 50 10 JKGE N#CC(=Cc1ccc(-c2cc(Cl)cc(Cl)c2)o1)C(=O)Nc1ccc(OC(F)(F)F)cc1 2314571478 FSTWKCYLBQKJOS-UHFFFAOYSA-N 467.230 6.698 50 10 JKGE CCCOc1ccc(C=C(C#N)C(=O)Nc2sc3c(c2C(=O)OC)CC[C@@H](C(C)(C)C)C3)cc1 2314738989 RLGLAIUGHRKZJL-LJQANCHMSA-N 480.630 6.020 50 10 JKGE CCCCC1CCC(C(=O)Oc2ccc(C=C(C#N)C(=O)NCc3ccco3)cc2OC)CC1 2314773882 HXLIGLCJJRTBFT-UHFFFAOYSA-N 464.562 5.414 50 10 JKGE COc1cc(Cl)ccc1[C@H](Br)c1sc(Cl)cc1I 2316774624 KQDPBFLUYYKJBR-NSHDSACASA-N 477.976 6.152 50 10 JKGE Cc1nc(-c2ccc(Cl)cc2)ccc1C(=O)NNC(=O)C=Cc1ccc(Cl)cc1Cl 2321059096 GLUFSHKOASTRLO-UHFFFAOYSA-N 460.748 5.492 50 10 JKGE N#CC(=CNc1ccc2ccccc2c1)C(=O)N1CCN(C(c2ccccc2)c2ccccc2)CC1 2324607216 UWURUUPXAJWPHS-UHFFFAOYSA-N 472.592 5.593 50 10 JKGE CCOC(=O)c1c(NC(=O)C(C#N)=Cc2ccc(Cl)cc2)sc(C(=O)Nc2ccccc2)c1C 2329655944 ZGGWKUVQUNDDFO-UHFFFAOYSA-N 493.972 5.685 50 10 JKGE Brc1cc([C@H](Br)[C@H]2C[C@@H]3CCCCCC[C@@H]32)sc1Br 2329820965 CSICXFJVEWKVHB-AYGWYOGXSA-N 471.096 7.316 50 10 JKGE CCCOc1ccc(-c2csc(C(C#N)=C(O)[C@H]3CC(=O)N(c4c(C)cccc4CC)C3)n2)cc1 2331318504 SEPVYFJVFRSDHW-NRFANRHFSA-N 487.625 6.316 50 10 JKGE CCOc1ccc(C=CC(O)=C(C#N)c2nc(-c3cc(C(C)C)c(OC)cc3C)cs2)cc1 2331353921 MVESJUXZKFOGEF-UHFFFAOYSA-N 460.599 7.155 50 10 JKGE COc1ccc(-c2csc(C(C#N)=C(O)c3ccccc3C(=O)c3ccccc3)n2)c2ccccc12 2331405022 GMPSYPYNPBFRSG-UHFFFAOYSA-N 488.568 7.153 50 10 JKGE COc1cc(Br)cc(C=C(C#N)c2nc(-c3ccc4c(c3)OCCO4)cs2)c1O 2331452176 ORHBEKOJZHUNNL-UHFFFAOYSA-N 471.332 5.122 50 10 JKGE COc1c(Cl)cc(Cl)cc1-c1csc(C(C#N)=Cc2cccc(Br)c2)n1 2331467641 ORBSCDYGKJWPHE-UHFFFAOYSA-N 466.187 6.952 50 10 JKGE CCCCCCOc1ccc(C=C(C#N)c2nc(-c3cc(C)cc(C)c3OC)cs2)cc1OC 2331469979 SYUOBQVKEYYWOC-UHFFFAOYSA-N 476.642 7.467 50 10 JKGE Fc1cccc(C[C@@H](Br)c2cc(Br)ccc2OCc2ccccc2)c1F 2336076451 ZCICYSRNKDDIGC-GOSISDBHSA-N 482.162 6.985 50 10 JKGE C[C@@H](CC(C)(C)C)[C@@H](Br)c1c(Cl)cc(Br)c(F)c1Br 2337082902 RITWJURQGLIMRU-WRWORJQWSA-N 479.453 7.512 50 10 JKGE FC(F)(F)C1([C@@H](Br)c2sc(Cl)cc2I)CCCCC1 2338566683 PMRMXJPLEOYAIH-JTQLQIEISA-N 487.550 6.955 50 10 JKGE Cc1c(Br)sc([C@H](Br)[C@@H]2C[C@H]3CCC[C@H]2CC3)c1Br 2338786117 ZAONBNVZHVJMQG-MEWQQHAOSA-N 471.096 7.234 50 10 JKGE Cc1cc(F)c([C@@H](Br)c2c(Br)c(Br)nn2C)cc1Cl 2338860016 IUHUCYOBRYGHNX-SECBINFHSA-N 475.381 5.530 50 10 JKGE Cc1cc(Br)c(F)c(Br)c1[C@H](Br)[C@@H]1CCC[C@@H](F)C1 2339682379 RSOOXDUOYVAVHV-KBVBSXBZSA-N 460.982 6.623 50 10 JKGE Clc1ccc([C@H](Br)Cc2ccc(Cl)c(Cl)c2)c(I)c1 2340057477 MRKNPPIMUDIORG-LLVKDONJSA-N 490.393 6.930 50 10 JKGE C[C@H]1CC2CC([C@H](Br)c3cc(Br)c(Br)cc3F)(C2)O1 2342312504 FOXBWUOMFWFDHW-LFNYIXNVSA-N 456.975 5.744 50 10 JKGE Fc1c(Br)cc(Cl)c([C@@H](Br)C[C@H]2CCC23CCC3)c1Br 2362227792 JLCXGCVPEHEZIE-BDAKNGLRSA-N 489.448 7.411 50 10 JKGE COc1c(C)cc([C@H](Br)c2ccc(Br)cc2Br)cc1Cl 2362874235 ZOIANDHYFYSNDN-AWEZNQCLSA-N 483.425 6.666 50 10 JKGE CCCc1sc(Br)cc1[C@@H](Br)Cc1cc(Cl)cc(Cl)c1 2363255374 BTXGTHJPZPQCEP-ZDUSSCGKSA-N 457.058 7.449 50 10 JKGE Cc1cc(Br)c(F)c(Br)c1[C@H](Br)C1(F)CC2(CCC2)C1 2365192589 CVFPWFMPLTUMPK-ZDUSSCGKSA-N 472.993 6.768 50 10 JKGE Cc1cc(Br)c(F)c(Br)c1[C@H](Br)C1CC[C@H]2C[C@@H]2CC1 2365218321 BPLSAGWQIBJNIV-COPLHBTASA-N 469.030 6.921 50 10 JKGE CC(C)[C@@H](Br)C(C)(C)CNC(=O)c1cc(Br)ccc1Br 2366011079 YLWAAZNXXWRHPT-CYBMUJFWSA-N 470.043 5.387 50 10 JKGE Clc1cc(Cl)cc(CC[C@@H](Br)c2c(Cl)cccc2Br)c1 2366888501 GGVYWWSYNUMDBB-CYBMUJFWSA-N 457.420 7.478 50 10 JKGE CC(C)(C)[C@@H]1CC[C@H]1CO[C@H](CI)c1ccc(Br)cc1 2369178402 PHAIQMXTAMWDTL-NUEKZKHPSA-N 451.186 6.014 50 10 JKGE Clc1ccc(I)cc1CN1C[C@H](Br)CC12CCCCC2 2380530793 HIULSAAJLQEADO-CYBMUJFWSA-N 468.604 5.617 50 10 JKGE COc1cccc(N/C(SCc2cc(F)ccc2F)=C(/C#N)C(=O)NCc2ccccc2)c1 3052535 OADRBEKSYWKDHB-YYDJUVGSSA-N 465.525 5.370 50 10 JKGE Cc1ccc(CSC(SCc2ccc(C)cc2)=C(C#N)C(=O)Nc2ccc(F)cc2)cc1 3059097 YZCYVMVNRGDDNZ-UHFFFAOYSA-N 462.615 6.983 50 10 JKGE COc1cc(/C=N/NC(=O)[C@H]2C[C@@H]2c2ccc(C(C)(C)C)cc2)cc(Br)c1OC 6075485 UBZDBKMVJINONP-BQPYXOOQSA-N 459.384 5.018 50 10 JKGE COc1cc(/C=C(/C#N)C(=O)NCc2ccccc2)ccc1OC(=O)/C=C\c1ccc(Cl)cc1 6603480 ZCJRDQVJMRXPHO-BORWVLFKSA-N 472.928 5.191 50 10 JKGE Cc1ccc(C(C)C)c(OCC(=O)NNC(=O)c2ccc(C(C)(C)C)c(Br)c2)c1 12492747 MXXCINMHHSLHAO-UHFFFAOYSA-N 461.400 5.018 50 10 JKGE CC[C@@H](Oc1ccc(-c2ccccc2)cc1)C(=O)NNC(=O)COc1ccc([C@H](C)CC)cc1 14768864 HOKZPVNSNYKEBO-FQRUVTKNSA-N 460.574 5.251 50 10 JKGE Cc1cc(C(=O)N/N=C/c2ccccc2OCc2ccc(Br)cc2)c2ccccc2n1 27520056 WYUQWQIFUOBSDM-JFLMPSFJSA-N 474.358 5.649 50 10 JKGE COc1cc(C=NNC(=O)c2cc3c(ccc4ccccc43)o2)cc(Cl)c1OCc1ccccc1 33349317 XVOHMANLUDWDRJ-UHFFFAOYSA-N 484.939 6.591 50 10 JKGE CCCCCCOc1ccc(/C=C(/C#N)C(=O)Nc2sc3c(c2C(N)=O)CC[C@H](C)C3)cc1OC 33377868 MRDRWFMXHVBTHY-FJSNCCPHSA-N 495.645 5.485 50 10 JKGE N#C/C(=C/c1ccc(-c2cc(C(F)(F)F)ccc2Cl)o1)C(=O)Nc1ccc([N+](=O)[O-])cc1 33385409 FBXQPZCKDZMLML-XFXZXTDPSA-N 461.783 6.073 50 10 JKGE CC/C(=N/NC(=O)COc1ccc2cc(Br)ccc2c1Br)c1ccccc1 33459965 TXYCTNPIRJJKKQ-MOHJPFBDSA-N 490.195 5.674 50 10 JKGE N#C/C(=C/c1c(Oc2ccccc2Cl)nc2ccccn2c1=O)S(=O)(=O)c1ccc(Cl)cc1 33657589 KQTQRGYRTIRLQM-LGMDPLHJSA-N 498.347 5.132 50 10 JKGE COC(=O)c1c(NC(=O)/C(C#N)=C\c2ccc(-c3ccc([N+](=O)[O-])cc3)o2)sc2c1CCCC2 35211621 OVSLHQJBMYMKEG-QINSGFPZSA-N 477.498 5.127 50 10 JKGE C[C@@H](Cl)c1nc2cc(Br)ccc2n1-c1cccc(I)c1 36910569 LDXYLARGJBIDNU-SECBINFHSA-N 461.528 5.692 50 10 JKGE N#CC1=C(N)Oc2cc(OC(=O)c3ccccc3Cl)ccc2[C@@H]1c1ccc(Cl)cc1Cl 38655164 WGHPVOMJPCJRSS-NRFANRHFSA-N 471.727 6.084 50 10 JKGE CCOc1ccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4oc5c(C)c(C)ccc5c4C)ccc32)cc1 38701412 KSDNQMQZKAMSCU-SANMLTNESA-N 494.547 6.194 50 10 JKGE N#C/C(=C\c1ccc(-c2ccc(Cl)cc2Cl)o1)C(=O)Nc1cc(Cl)ccc1Cl 39884595 HXDHLRGWJRQJCQ-YRNVUSSQSA-N 452.124 7.106 50 10 JKGE Cc1cc(Oc2ncnc(NNC(=O)C(c3ccccc3)c3ccccc3)c2N)cc(C)c1Cl 40794891 IELDBEQBEUKAEH-UHFFFAOYSA-N 473.964 5.397 50 10 JKGE Cc1c(C(=O)Nc2ccc(/N=N/c3ccccc3)cc2)oc2c1/C(=N/NC(=O)c1ccccc1)CCC2 40804187 DLLBBFBQVOCLDP-NOBHLTQKSA-N 491.551 6.726 50 10 JKGE Cc1ccc(COc2ccc(/C=N/NC(=O)COc3ccc(Br)c(C)c3)cc2)cc1 40911755 MRDSYWRMXLMHGU-VULFUBBASA-N 467.363 5.174 50 10 JKGE CCCOc1ccccc1/C=C/C(=O)Oc1ccc(/C=C(\C#N)c2ccc(Cl)cc2)cc1OC 40950443 IWQABAAGCRKNTQ-CGUYOYBPSA-N 473.956 6.820 50 10 JKGE Cc1cccc(COc2ccc(Br)cc2/C=C(/C#N)C(=O)Nc2cccc(C)c2)c1 59133350 GYQKTACKWMMJRB-BKUYFWCQSA-N 461.359 6.191 50 10 JKGE CCC(=O)[C@H](Br)Cc1c(Br)cc(Br)cc1Br 71126208 USICETYDULUCTB-SNVBAGLBSA-N 477.816 5.259 50 10 JKGE Cc1cc(/C=C(C#N)/C(O)=N/c2c(Cl)cccc2Cl)c(C)n1-c1cccc([N+](=O)[O-])c1 71840410 SNRUWUXWFLOBRE-MHWRWJLKSA-N 455.301 6.504 50 10 JKGE N#C/C(=C/Nc1ccc(S(=O)(=O)Nc2nccs2)cc1)c1nc(-c2ccccc2)cs1 102458923 WGEYBVUQPGARCA-SSZFMOIBSA-N 465.585 5.044 50 10 JKGE CCCOc1ccc(-c2nn(-c3ccccc3)cc2/C=C(/C#N)C(=O)NCc2cccnc2)cc1C 102859517 WNHZNSLSHFTDIA-JLPGSUDCSA-N 477.568 5.255 50 10 JKGE N#C/C(=C/Nc1ccc(Br)cc1F)c1nc(-c2cccc(Br)c2)cs1 102937450 FWBAMDRIIBLOJK-XFXZXTDPSA-N 479.172 6.451 50 10 JKGE CC(=O)Oc1ccc(/C=C(/C#N)c2nc(-c3ccc(Cl)cc3)cs2)cc1Br 102938284 WIFVOZRJSIVWIM-NVNXTCNLSA-N 459.752 6.215 50 10 JKGE CC(C)CCC[C@H](C)[C@H]1CC[C@H]2[C@@H]3CC=C4C[C@@H](OC(=O)CCCl)CC[C@]4(C)[C@H]3CC[C@@]21C 118920354 NZCIAHIYIOJGGF-NNJJVJDCSA-N 477.173 8.569 50 10 JKGE Cc1cc(Br)c([C@H](Br)c2cccc(Br)c2)cc1Br 128813233 NWRCEBLENNOTBJ-CQSZACIVSA-N 497.850 6.767 50 10 JKGE CCOc1cc(/C=C2\C(=O)N(CC(C)C)C(=O)C(C#N)=C2C)ccc1OCc1ccc(F)cc1 214275666 HHYOLYHOKXOEPB-UUYOSTAYSA-N 462.521 5.052 50 10 JKGE N#C/C(=C/N1CCN(c2ccccc2F)CC1)C(=O)Nc1ccccc1Sc1ccccc1 217243938 NJTJIFZQGQZPJG-VXPUYCOJSA-N 458.562 5.145 50 10 JKGE CC(C)(C)C[C@H](Br)CNC(=O)c1cc(Br)ccc1Br 226225983 OBIAYQNMKOQMKR-JTQLQIEISA-N 456.016 5.141 50 10 JKGE CC(=NNC(=O)c1cc(-c2ccc(OCc3ccccc3)cc2)n[nH]1)c1ccc2ccccc2c1 254631107 PMYRWTRTMOBZBJ-UHFFFAOYSA-N 460.537 5.963 50 10 JKGE C=CCOc1ccc(Br)cc1C(=O)NN=Cc1cc(Br)ccc1OCCC 254713179 BTRQDZPQHUOGSO-UHFFFAOYSA-N 496.199 5.329 50 10 JKGE CC(=NNC(=O)c1cc(-c2ccccc2Cl)nc2ccccc12)c1cc(Cl)ccc1Cl 254742238 OQSIIPHJUBPBAP-UHFFFAOYSA-N 468.771 7.016 50 10 JKGE CC(C)(c1ccccc1)c1ccc(OCC(=O)NN=Cc2ccc(O)c(Br)c2)cc1 256017227 QTJFPMKWCNMBDN-UHFFFAOYSA-N 467.363 5.010 50 10 JKGE O=C(OCc1ccccc1)N1C[C@@H](CBr)[C@@H](c2ccc(Br)cc2F)C1 382703165 QEHFRYUNRKJYFP-PBHICJAKSA-N 471.164 5.335 50 10 JKGE COc1cccc([C@H](Br)c2cc(Br)c(C)cc2Br)c1F 397466919 RNBGWSZNNATHSN-AWEZNQCLSA-N 466.970 6.152 50 10 JKGE FC(F)(F)c1nc(-c2cc(I)ccc2Br)oc1CCl 401097574 AEDPTZZWRBHFLH-UHFFFAOYSA-N 466.422 5.466 50 10 JKGE C[C@H]1[C@@H](C)N(c2cc(Br)ccc2CBr)C[C@@H](C)N1Cc1ccccc1 404271405 KXIPKIMWQXVVHT-IXDOHACOSA-N 466.261 5.832 50 10 JKGE Brc1cscc1[C@@H](Br)c1cc(I)cc2c1OCC2 404716068 QHDMHAAXHPAOOB-LBPRGKRZSA-N 499.993 5.534 50 10 JKGE Brc1csnc1[C@@H](Br)c1csc2c(Br)cccc12 404800095 JRWDCDDHSAJZNY-JTQLQIEISA-N 468.033 6.367 50 10 JKGE CC(C)(C)[Si](C)(C)OCCc1cccc([C@H]2CCCCN2CCO[Si](C)(C)C(C)(C)C)c1 616615363 WYBIEKOIYOWDEY-RUZDIDTESA-N 477.882 7.800 50 10 JKGE C[C@@H]([C@@H]1CCN(Cc2ccccc2)C1)n1c(CCl)nc2ccc(F)c(Br)c21 689795363 SFAIBJAJUOYEGL-GOEBONIOSA-N 450.783 5.760 50 10 JKGE BrCC(CBr)(C[C@@H]1CCCOC1)c1ccccc1Br 690356306 VVQZUPUZUULBAC-LBPRGKRZSA-N 455.028 5.293 50 10 JKGE COc1ccc(Br)cc1Oc1cccc(Br)c1CBr 700802809 RIQJDZCMWSRIQE-UHFFFAOYSA-N 450.952 5.907 50 10 JKGE O=C(Nc1ccc(CCl)cc1)c1ccc(I)c(Br)c1 721623194 SMGIQXCSWLLLEX-UHFFFAOYSA-N 450.501 5.045 50 10 JKGE Cc1cc(C=NNC(=O)CSC2c3ccccc3-c3ccccc32)c(C)n1-c1ccc(Cl)cc1 1084051209 ZKNCCPRWAMTVDT-UHFFFAOYSA-N 486.040 6.701 50 10 JKGE COc1cc(/C=C(/C#N)C(=O)Nc2ccc(C)c(C)c2)ccc1OCc1ccc(Br)cc1 1084315415 YSYMCLMTFVFHDL-BKUYFWCQSA-N 491.385 6.199 50 10 JKGE CCN(CC)c1ccc(-n2c(C)cc(/C=C(\C#N)C(=O)NCCc3c[nH]c4ccccc34)c2C)cc1 1084394210 QWZYWJYDBIBAEU-XIEYBQDHSA-N 479.628 5.688 50 10 JKGE Cc1c(C(=O)Nc2ccc(F)cc2F)oc2c1C(=NNC(=O)c1ccccc1Cl)CCC2 1772744530 WEFBMBGLRAALMC-UHFFFAOYSA-N 457.864 5.242 50 10 JKGE CCCOc1ccc([C@H]2C(C#N)=C(N)Oc3c2c(-c2ccccc2)nn3-c2ccccc2Cl)cc1 1865692880 GLOFIGVLEBKSST-DEOSSOPVSA-N 482.971 6.200 50 10 JKGE CCCOc1ccc([C@@H]2C(C#N)=C(N)Oc3c2c(CCC)nn3-c2ccc(Cl)c(Cl)c2)cc1 1865694666 YUYDWZNMEKVAMA-JOCHJYFZSA-N 483.399 6.139 50 10 JKGE CCCCCOc1ccc([C@H]2C(C#N)=C(N)Oc3c2c(C)nn3Cc2ccc(Cl)cc2)cc1OC 1865695137 KXGONIRQUQLQSX-VWLOTQADSA-N 493.007 5.689 50 10 JKGE COc1ccc(-c2nn(-c3ccccc3Cl)c3c2[C@@H](c2sccc2C)C(C#N)=C(N)O3)cc1 1865698930 GNCSYJVQOGGEBJ-FQEVSTJZSA-N 474.973 5.789 50 10 JKGE COc1ccc(-c2nn(-c3cccc4ccccc34)c3c2[C@@H](c2sccc2C)C(C#N)=C(N)O3)cc1 1865699376 SGIOOYSSECWIMU-DEOSSOPVSA-N 490.588 6.289 50 10 JKGE CCc1nn(-c2ccccc2)c2c1[C@H](c1cccc(OC)c1OCc1cccc(C)c1)C(C#N)=C(N)O2 1865705672 BPJOVNCJTSZNLL-AREMUKBSSA-N 492.579 5.549 50 10 JKGE Cc1ccc(C)c(Cn2nc(-c3ccccc3)c3c2OC(N)=C(C#N)[C@@H]3c2ccc(F)cc2)c1 1865708136 PCPZXEIWYKMPTK-DEOSSOPVSA-N 450.517 5.573 50 10 JKGE COc1ccc(-c2c(C)oc3cc(OCc4ccc(CCl)cc4)ccc3c2=O)cc1OC 1871438293 SZBUAJPIWWMZQQ-UHFFFAOYSA-N 450.918 6.103 50 10 JKGE CCCCc1ccc(N2C[C@H](/C(O)=C(\C#N)c3nc(-c4ccc5c(c4)CCCC5)cs3)CC2=O)cc1 1872745396 LDUKHDKIUKVNFZ-QNGMXQGTSA-N 497.664 6.877 50 10 JKGE CC[C@@H](C)[C@H](/C(O)=C(\C#N)c1nc(-c2ccccc2Cl)cs1)N1C(=O)c2ccccc2C1=O 1872746148 UUFSBMOPAAIYGI-JEYPZSCUSA-N 477.973 5.967 50 10 JKGE COc1ccc(Cl)cc1N1C[C@@H](/C(O)=C(\C#N)c2nc(-c3ccc4c(c3)OCO4)cs2)CC1=O 1872752664 NHZLINSBBJFIJV-AAUPIPAWSA-N 495.944 5.047 50 10 JKGE CC[C@@H](C)[C@H](/C(O)=C(\C#N)c1nc(-c2ccc(Cl)s2)cs1)N1C(=O)c2ccccc2C1=O 1872758236 QUBXNBPWCNSUEV-XMKQDHCWSA-N 484.002 6.029 50 10 JKGE CCOc1cc(/C=C(\C#N)c2nc(-c3ccc(F)c(C)c3)cs2)ccc1OCc1ccccc1C 1872791008 QHNIHWYBIDXJNK-ZVHZXABRSA-N 484.596 7.608 50 10 JKGE Cc1ccc(COc2ccc(/C=C(\C#N)c3nc(-c4ccc5c(c4)OCCO5)cs3)cc2)cc1 1872791298 CMNAHWSYKJIQQN-OEAKJJBVSA-N 466.562 6.533 50 10 JKGE CCOc1cc(/C=C(\C#N)c2nc(-c3c[nH]c4ccccc34)cs2)ccc1OCc1ccccc1C 1872791602 NGGLVJCGKFULQT-OEAKJJBVSA-N 491.616 7.642 50 10 JKGE ClCC1(N(Cc2ccccc2)Cc2ccc(Cl)c(I)c2)CCC1 1900396916 KIXYSLUBRSZINC-UHFFFAOYSA-N 460.186 6.108 50 10 JKGE Brc1cc(Br)c([C@@H](Br)c2occc2Br)s1 1922898492 VVUQQQFRXKZRAQ-ZETCQYMHSA-N 479.813 6.113 50 10 JKGE Fc1cc(Br)cc(F)c1[C@@H](Cl)c1sc(Br)cc1Br 1922955068 VYEIGDPUZAIUQP-SNVBAGLBSA-N 481.381 6.642 50 10 JKGE CCCCCCCC[C@@H](Br)c1sc(Br)c(C)c1Br 1922955189 XDYKWJSNVTUJKO-LLVKDONJSA-N 461.101 7.768 50 10 JKGE COc1ccc([C@H](Br)c2c(Br)sc(Br)c2Cl)cc1F 1923068018 LSBAXSJYKJPXRS-VIFPVBQESA-N 493.417 6.559 50 10 JKGE CCC(C)(C)[C@H](Br)c1c(Br)sc(Br)c1Br 1924576604 PYOAPYNCWUFGKT-SSDOTTSWSA-N 483.889 6.908 50 10 JKGE Clc1cc([C@H](Br)c2cc(Br)c(Br)s2)sc1Cl 1939433559 VKFYFAHRFYSQOQ-SSDOTTSWSA-N 485.875 7.126 50 10 JKGE Cc1c(Br)ccc([C@H](Br)[C@H]2C[C@H](Br)C2)c1Br 1994122101 IMTIGCOSWARJJQ-DNSOKLHBSA-N 475.844 6.130 50 10 JKGE CC[C@H]([C@H](Br)c1sc(Br)c(C)c1Br)C(C)(F)F 2004478421 JVMDWTVFAOIVNP-SVRRBLITSA-N 455.000 6.699 50 10 JKGE Clc1cccc([C@@H](CI)OCCOCCOCc2ccccc2)c1 2007814393 PEQIQQMXEUDKKT-LJQANCHMSA-N 460.739 5.066 50 10 JKGE CCOc1ccc([C@@H](Br)c2csc(Br)c2Br)s1 2026386628 WITIPGYPKCCJSA-VIFPVBQESA-N 461.038 6.218 50 10 JKGE Clc1c(Br)ccc(CBr)c1N1C[C@H]2CN(Cc3ccccc3)C[C@@H]2C1 2036844538 IIUBFRJONWPVFS-IAGOWNOFSA-N 484.663 5.566 50 10 JKGE C[C@H]1CN(CCCCCCCCCBr)C[C@@H](C)N1C(=O)OCc1ccccc1 2044698263 AMLTUWNLIGJTIB-OYRHEFFESA-N 453.465 5.843 50 10 JKGE CC1(C)CCC[C@@H]([C@@H](Br)c2c(Br)sc(Br)c2Cl)C1 2049573215 GLZKSGJJMPAISL-VXNVDRBHSA-N 479.503 7.579 50 10 JKGE FC(F)(C1CCOCC1)[C@H](Br)c1sc(Br)cc1Br 2065618866 SDCWSFWGWFFYSR-SNVBAGLBSA-N 468.983 5.771 50 10 JKGE COCc1ccc([C@H](Br)c2cc(Br)c(Br)s2)cc1 2071271241 OTQSOERRCOIZBS-LBPRGKRZSA-N 455.009 5.904 50 10 JKGE CCCN[C@H](c1c(Br)sc(Br)c1Cl)[C@H]1C[C@@H](Br)C1 2076184604 ULCCSAFLDQZMNC-PJKMHFRUSA-N 480.491 6.141 50 10 JKGE Cl[C@H](c1c(Br)sc(Br)c1Br)[C@H]1C[C@@]12CCCOC2 2077422115 FOSZDAGWZSFKOE-PUQNFTFYSA-N 479.459 6.132 50 10 JKGE Cc1cc([C@H](Br)c2ccc(F)c(Br)c2)ccc1I 2086038844 DNFONZPIIJFRNV-AWEZNQCLSA-N 483.944 5.986 50 10 JKGE BrCc1cc(Br)c(OC[C@@H]2CCC3(CC3)C2)c(Br)c1 2112617034 XOFXIYLWKNGBJA-SNVBAGLBSA-N 453.012 6.066 50 10 JKGE CC1(C)CC[C@@H](CBr)N(Cc2cc(Br)ccc2Br)C1 2118520024 PZYKEBMFQYUEJV-ZDUSSCGKSA-N 454.044 5.597 50 10 JKGE CN(Cc1cccc(Br)c1Br)[C@@H](CCBr)C(F)(F)F 2122002196 RMNRSPISLLFMPD-JTQLQIEISA-N 467.949 5.359 50 10 JKGE COc1cc(Br)ccc1[C@H](Br)c1c(Br)sc(C)c1C 2138265574 AADALIPGMLGHPA-ZDUSSCGKSA-N 469.036 6.383 50 10 JKGE CC(C)(C)[C@H](C[C@@H](Br)c1ccc(Br)cc1Br)C(F)F 2138871419 FTHLBIJVDOSAQD-ZYHUDNBSSA-N 462.998 6.965 50 10 JKGE CCc1nc([C@@H](Cl)c2scc(C(F)(F)F)c2Br)c(Br)s1 2169489041 YQGPTCMTYGXDHP-SSDOTTSWSA-N 469.573 6.639 50 10 JKGE F[C@@H](COc1c(Br)cc(Br)cc1CBr)C1CCOCC1 2178089647 AVJXRKPSXFEYHY-ZDUSSCGKSA-N 474.990 5.250 50 10 JKGE COc1c(Br)cc(C)cc1[C@H](Br)c1cc(C)ccc1Br 2203823756 LNHZZUOGVNAEGJ-OAHLLOKOSA-N 463.007 6.321 50 10 JKGE Cc1c(Br)csc1C(=O)N(Cc1ccccc1)[C@H](CBr)C(C)C 2210635162 FZXPHGYLSBPMCS-MRXNPFEDSA-N 459.247 5.881 50 10 JKGE CC(C)(C)N1C[C@@H](Cl)[C@@H](c2sc(Br)c(Br)c2Br)C1 2222475135 ZOVGUIRRSHTAKJ-NKWVEPMBSA-N 480.491 5.841 50 10 JKGE Fc1cc(Br)c(Br)cc1[C@@H](Br)[C@@H]1[C@H]2[C@H]3CC[C@@H](C3)[C@H]21 2225618159 XUSQOHCQQRAHBN-PCJHKHGQSA-N 452.987 6.079 50 10 JKGE Clc1cc(Br)c([C@H](Br)[C@@H]2Cc3ccccc32)c(Cl)c1Cl 2232510746 ICZMTIIAAHZJCB-NOZJJQNGSA-N 455.404 7.185 50 10 JKGE COCc1csc([C@@H](Br)c2c(Br)cc(Cl)c(Cl)c2Cl)c1 2232517952 YBVAQLSFOMVAIG-LLVKDONJSA-N 479.448 7.102 50 10 JKGE Clc1cc(Br)c([C@@H](Br)C2CC3(CCOC3)C2)c(Cl)c1Cl 2232528725 IVSRJIMQIQJHAD-XXCWSLKQSA-N 463.424 6.662 50 10 JKGE C[C@@H]1C[C@@H](n2c(CCl)nc3c(F)cc(Br)cc32)CN(Cc2ccccc2)C1 2232931165 YQJDWOSRPSPYOK-RHSMWYFYSA-N 450.783 5.760 50 10 JKGE Cc1cc(Br)c([C@@H](Br)[C@H]2CC3(CCC3)CO2)c(C)c1Br 2235600723 RVQUAVSTILBCTM-DOMZBBRYSA-N 467.039 6.224 50 10 JKGE FC1(F)CC[C@H]([C@@H](Br)c2c(Br)sc(Br)c2Cl)C1 2252723789 SNNOSPUWRQLFEK-UJURSFKZSA-N 473.402 6.798 50 10 JKGE FC1(F)C[C@@H]([C@@H](Br)c2cc(Br)c(Br)s2)C12CCC2 2254863961 QPOAHYZYTGYQKA-IMTBSYHQSA-N 464.995 6.535 50 10 JKGE COc1ccc([C@@H](Br)c2ccc(Br)cc2)cc1I 2257367570 MJXONXNXMDZELP-AWEZNQCLSA-N 481.953 5.547 50 10 JKGE CC(C)CN(C[C@@H](C)Br)C(=O)c1scc(Br)c1Br 2259768965 LMBTUZJBNWHONC-MRVPVSSYSA-N 462.045 5.155 50 10 JKGE Fc1cc(Br)c(F)c(Br)c1[C@H](Br)C1(C(F)F)CC1 2260071947 UTAWITSNUIIIDS-VIFPVBQESA-N 454.881 5.971 50 10 JKGE COc1ccc(Br)cc1[C@@H](Br)c1c(F)cccc1I 2267658302 GDWBZPOENSHRKZ-CQSZACIVSA-N 499.943 5.686 50 10 JKGE Cc1cc([C@@H](Cl)c2ccc(Cl)c(I)c2)c(C)cc1Br 2268281675 UUADCNXABIAQAJ-HNNXBMFYSA-N 469.975 6.652 50 10 JKGE Fc1cc(Br)c(F)c(Br)c1[C@@H](Br)C1C2(CC2)C12CC2 2272740169 PMAJSYWBWNYVFG-SNVBAGLBSA-N 456.950 6.116 50 10 JKGE Fc1cc(C[C@@H](Br)c2cc(Br)ccc2Br)ccc1Cl 2277791912 MMDNOENEXRCUGJ-GFCCVEGCSA-N 471.389 6.683 50 10 JKGE Cc1ccc(Cc2cnc(NC(=O)C(C#N)=Cc3ccccc3OC(C)C)s2)cc1Cl 2293038644 QUALWSCYDHKMSA-UHFFFAOYSA-N 451.979 6.029 50 10 JKGE COc1cc(C=C(C#N)C(=O)Nc2cc(Cl)cc(Cl)c2)ccc1OCc1ccc(Cl)cc1 2295459743 TZHXEBLQMXGXGT-UHFFFAOYSA-N 487.770 6.780 50 10 JKGE CCCSc1ccc(-c2nn(-c3ccccc3)cc2C=C2C(=O)N(CC)C(=O)C(C#N)=C2C)cc1 2295838607 NWOXLTAJEFDAEI-UHFFFAOYSA-N 482.609 5.654 50 10 JKGE CCOc1ccc(NC(=O)C(C#N)=Cc2c(Oc3cccc(C)c3C)nc3c(C)cccn3c2=O)cc1 2296718494 MALLLBRIQLXSKW-UHFFFAOYSA-N 494.551 5.356 50 10 JKGE CC(C)(C)c1ccc(C=C(C#N)c2nc(-c3cccs3)c(NC(=O)c3ccco3)s2)cc1 2297497767 FOFMCKVXCLENHH-UHFFFAOYSA-N 459.596 7.079 50 10 JKGE CCOc1cc(C=C(C#N)C(=O)Nc2cccc(Cl)c2Cl)ccc1OCc1ccc(C)cc1 2313570694 DEYLBWIVWVBEDX-UHFFFAOYSA-N 481.379 6.825 50 10 JKGE CCOc1cc(C=C(C#N)C(=O)Nc2ccc(Cl)c(Cl)c2)ccc1OCc1cccc(F)c1 2313631041 JHGCLLFNDZTZOJ-UHFFFAOYSA-N 485.342 6.656 50 10 JKGE COc1ccc(C(=O)Oc2ccc(C=C(C#N)C(=O)Nc3cccc(Cl)c3Cl)cc2)cc1 2313631940 ZLPBYHBQDLRCFN-UHFFFAOYSA-N 467.308 5.767 50 10 JKGE Cc1ccc(C)c(NC(=O)C(C#N)=Cc2cc(Br)ccc2OCc2ccccc2F)c1 2313667294 KAIUJQFULXIGKE-UHFFFAOYSA-N 479.349 6.330 50 10 JKGE Cc1cccc([C@H](Cl)c2cc(Br)ccc2OCc2ccccc2)c1Br 2314450033 VMRZNADFNUWBMV-NRFANRHFSA-N 480.627 7.427 50 10 JKGE N#CC(=Cc1ccc(-c2ccc(Cl)c(Cl)c2)o1)C(=O)Nc1ccc(OC(F)(F)F)cc1 2314572011 QPZOREVZIVCENS-UHFFFAOYSA-N 467.230 6.698 50 10 JKGE CCOc1ccc(N2C(=O)[C@H](Cc3ccccc3)SC2=C(C#N)C(=O)N[C@@H](C)c2ccccc2)cc1 2314593647 QLESHEFLPOKSLV-FNZWTVRRSA-N 497.620 5.389 50 10 JKGE CCCOc1ccc(-c2nn(-c3ccccc3)cc2C=C2C(=O)N(C)C(=O)C(C#N)=C2C)cc1Cl 2314617536 BCTLJYPXTWGCBU-UHFFFAOYSA-N 486.959 5.204 50 10 JKGE COc1ccc(C(C#N)=Cc2ccc(OC(=O)C=Cc3ccc(F)cc3)c(OC)c2)cc1OC 2320506264 FZKGAKYLJHSKQE-UHFFFAOYSA-N 459.473 5.534 50 10 JKGE ClCc1sc(OCc2ccc(I)c(Br)c2)nc1Cl 2325387491 YBSJGZODNBHPFG-UHFFFAOYSA-N 478.964 5.481 50 10 JKGE COc1ccc(C=CC(=O)NNC(=O)c2ccc(-c3ccc4ccccc4c3)s2)cc1OC 2328785140 GCMVKQBNEPUOLR-UHFFFAOYSA-N 458.539 5.060 50 10 JKGE N#CSc1ccc(NC(=O)Oc2ccc(CNC(=O)C=Cc3ccc(Cl)cc3)cc2)cc1 2329309820 CCQZIOZQJZJQBZ-UHFFFAOYSA-N 463.946 5.854 50 10 JKGE CCc1cccc(C)c1N1C[C@H](C(O)=C(C#N)c2nc(-c3ccc(C)cc3C)cs2)CC1=O 2331310965 ZUVSSXHXUGGWGR-HXUWFJFHSA-N 457.599 6.144 50 10 JKGE N#CC(=C(O)CNC(=O)c1ccc(Cl)cc1Cl)c1nc(-c2ccc(Cl)c(Cl)c2)cs1 2331311439 GUJAGUHWCCAJIW-UHFFFAOYSA-N 499.206 6.646 50 10 JKGE CC[C@H](C)[C@H](C(O)=C(C#N)c1nc(-c2cc(C)ccc2C)cs1)N1C(=O)c2ccccc2C1=O 2331320024 CDVPCISNMMLCEQ-QMHKHESXSA-N 471.582 5.931 50 10 JKGE CC(C)(C)c1ccc(-c2csc(C(C#N)=C(O)CNC(=O)c3ccc(Cl)cc3Cl)n2)cc1 2331331604 UUCGFMZZPSLAED-UHFFFAOYSA-N 486.424 6.637 50 10 JKGE N#CC(=C(O)c1cc(C(F)(F)F)cc(C(F)(F)F)c1)c1nc(-c2ccc(F)c(F)c2)cs1 2331351802 ADLDWTYMZLEFKY-UHFFFAOYSA-N 476.348 7.076 50 10 JKGE COc1ccc(-c2csc(C(C#N)=C(O)CN3C(=O)COc4ccc(Cl)cc43)n2)c(C)c1C 2331362885 RGRFIMMTYNJDPL-UHFFFAOYSA-N 481.961 5.307 50 10 JKGE COc1c(C)cc(C)cc1-c1csc(C(C#N)=C(O)COc2ccc(C)cc2C(C)(C)C)n1 2331373302 XEKSKLGWQAJKJC-UHFFFAOYSA-N 462.615 6.913 50 10 JKGE CCCCCCCCC[C@@H](Br)c1ccc(OCc2ccccc2)cc1Br 2336051994 WZUANGAZANSEGB-JOCHJYFZSA-N 482.300 8.605 50 10 JKGE Cc1cc(I)c(Oc2ccc(Br)cc2CCl)cc1Cl 2336543643 LZLAEDBQSNJSEH-UHFFFAOYSA-N 471.947 6.547 50 10 JKGE Fc1c(Br)cc(Cl)c([C@@H](Cl)c2cccc(Br)c2)c1Br 2337099171 VBIKPQVYJVOPLE-LBPRGKRZSA-N 491.807 7.095 50 10 JKGE Cn1cnc(Br)c1[C@H](Br)c1c(F)cc(Cl)c(Br)c1Cl 2337317557 QDJSWCRWNBXVNA-MRVPVSSYSA-N 495.799 5.875 50 10 JKGE COc1ccc(CBr)c(Oc2cc(Br)cc(Br)c2)n1 2338759290 WYBZKPSDFNVMKH-UHFFFAOYSA-N 451.940 5.302 50 10 JKGE COC1CC(C[C@H](Br)c2c(C)cc(Br)c(F)c2Br)C1 2339653324 IFZUDGPVBFZHFP-RTBKNWGFSA-N 458.991 5.910 50 10 JKGE COc1c(Cl)cc(Br)cc1[C@@H](Br)c1csc(C)c1Br 2343561082 DHZJTMUYHDDLHO-GFCCVEGCSA-N 489.454 6.728 50 10 JKGE Fc1cc(Cl)cc([C@@H](Cl)c2c(Cl)cc(Br)c(F)c2Br)c1 2362230628 ANMDFTSZAZRKJM-GFCCVEGCSA-N 465.346 7.125 50 10 JKGE Fc1c(Br)cc(Cl)c([C@@H](Br)C[C@@H]2CCCC23CC3)c1Br 2362231243 DNRCBFWDPSEILA-IUCAKERBSA-N 489.448 7.411 50 10 JKGE CCCc1sc(Br)cc1[C@H](Br)c1cc(Br)c(F)cc1C 2363256303 NFWCBWNWUXRJEL-OAHLLOKOSA-N 485.054 7.157 50 10 JKGE Cc1ccc([C@@H](Br)c2c(C)cc(Br)c(F)c2Br)cc1F 2365180076 QYVVLBGEHXNCPA-CYBMUJFWSA-N 468.961 6.591 50 10 JKGE COc1c(Br)cc(C)c([C@H](Br)[C@@](C)(F)C(C)(C)F)c1Br 2365214402 ABRDUBFJZLGNEB-GXTWGEPZSA-N 478.997 6.441 50 10 JKGE Cc1cc(Br)c(F)c(Br)c1[C@@H](Br)[C@@H]1CCCCC1(C)C 2365216108 QRQSWBLPCUNLBF-GWCFXTLKSA-N 471.046 7.312 50 10 JKGE COc1ccsc1[C@H](Br)c1c(C)cc(Br)c(OC)c1Br 2365229585 BEBHOLIEXVMNEP-GFCCVEGCSA-N 485.035 6.083 50 10 JKGE Cc1cc(Cl)c(Br)cc1[C@@H](Br)c1c(Cl)cc(F)cc1Cl 2366405530 RDHYDDAZHVSURZ-CQSZACIVSA-N 461.383 7.341 50 10 JKGE ClCc1csc(CCCOCc2cc(I)ccc2Br)n1 2367272060 UUKWFXFOONNSOM-UHFFFAOYSA-N 486.600 5.398 50 10 JKGE Cc1ccc(CCl)c(OCc2cc(Cl)ccc2I)c1Br 2380660808 BTOSGWGVUGSHTL-UHFFFAOYSA-N 485.974 6.333 50 10 JKGE COc1ccc([C@H]2C(C#N)=C(C)N(c3[nH]nc(C)c3-c3ccccc3)C3=C2C(=O)CC(C)(C)C3)cc1 2202904 VMIOSEVDCACYJC-MHZLTWQESA-N 478.596 6.438 50 10 JKGE Cc1ccc(-c2nn(-c3ccccc3)cc2/C=N/NC(=O)C(=O)Nc2cccc3ccccc23)cc1 4303027 FMKQUTLQRQRHLI-UXHLAJHPSA-N 473.536 5.090 50 10 JKGE COc1ccc(/C=N/NC(=O)COc2ccc3ccccc3c2Br)c2ccccc12 12575791 GAVQMFMGFKLEMH-VULFUBBASA-N 463.331 5.293 50 10 JKGE CCCCSc1ccc(-c2nn(-c3ccccc3)cc2/C=C(\C#N)c2nc3ccccc3n2C)cc1 33423510 IHNYQRYEHFCCCX-FCDQGJHFSA-N 489.648 7.382 50 10 JKGE COc1ccc(C(=O)Oc2cc(/C=C(/C#N)C(=O)Nc3c(C)cccc3C)ccc2OC)cc1 33692915 WFPNWINWEOEFFF-STZFKDTASA-N 456.498 5.086 50 10 JKGE CCCOc1ccccc1C(=O)Oc1ccc2c(c1)OC(N)=C(C#N)[C@@H]2c1ccc(C(C)(C)C)cc1 38649874 KIVDRTKWAYHGJG-HHHXNRCGSA-N 482.580 6.210 50 10 JKGE N#CC1=C(N)Oc2cc(OC(=O)COc3cccc(Cl)c3)ccc2[C@H]1c1ccccc1Cl 38651107 RVYLNSJKHYAECM-HSZRJFAPSA-N 467.308 5.196 50 10 JKGE CC(C)c1ccc(O[C@@H](C)C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@@H]3c2cccc(Cl)c2)cc1 38651251 GOCHTLBPNCCDFU-MRDQGFSESA-N 488.971 6.054 50 10 JKGE CC(C)c1ccc(O[C@H](C)C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@H]3c2ccc(F)cc2)cc1 38653158 PDRSPIXZMBUNLQ-QUGAMOGWSA-N 472.516 5.540 50 10 JKGE N#CC1=C(N)Oc2cc(OC(=O)COc3ccc(F)cc3)ccc2[C@H]1c1c(Cl)cccc1Cl 38679551 KZPGDNRRPKXIFK-JOCHJYFZSA-N 485.298 5.335 50 10 JKGE Cc1ccc2c(Cl)c(C(=O)Oc3ccc4c(c3)OC(N)=C(C#N)[C@H]4c3cccc(F)c3)sc2c1 38700472 WVORUVHJRABDMS-QFIPXVFZSA-N 490.943 6.440 50 10 JKGE O=C(CC[C@@H](O)c1ccccc1)N/N=C\c1ccc(OCc2ccccc2F)c(Br)c1 58889006 NTYAHGNIEBKEHV-RJNBOEKGSA-N 485.353 5.131 50 10 JKGE CCOc1ccc(-n2c(C)cc(/C=C(/C#N)C(=O)O[C@H](C(=O)N(CC)CC)c3ccccc3)c2C)cc1 96888135 QUWDYNZZKSGUJC-LMKKRCETSA-N 499.611 5.553 50 10 JKGE COc1ccc(Cl)cc1N/C=C(\C#N)c1nc(-c2cc3cc([N+](=O)[O-])ccc3oc2=O)cs1 100296450 QWVGQUMJHWJWRL-JLHYYAGUSA-N 480.889 5.463 50 10 JKGE C=CCNC(=O)/C(C#N)=C1\S[C@@H](Cc2ccc(Cl)c(Cl)c2)C(=O)N1c1ccc(C)c(C)c1 101241951 YRVGTJZOVPSQDK-JHGYQWQCSA-N 486.424 5.339 50 10 JKGE CC1=C(C#N)C(=O)N(C2CCCCC2)C(=O)/C1=C/c1ccc(OCc2ccc(Cl)cc2Cl)cc1 101339105 KADNEDVMFNRVHE-YDZHTSKRSA-N 495.406 6.497 50 10 JKGE Fc1c([C@@H](Br)c2cc(Br)sc2Br)cccc1C(F)(F)F 125545821 UZUXFCRSXCIACU-SECBINFHSA-N 496.943 6.915 50 10 JKGE C[C@H]([C@H]1CCC[C@H]1P(c1ccccc1)c1ccccc1)P(c1ccccc1)c1ccccc1 147680017 YKWKRSUMPSPUSZ-KVXGTOJUSA-N 466.545 6.809 50 10 JKGE COc1c(C)cc([C@@H](Br)c2cc(Br)ccc2Br)cc1C 161121778 AYYVCXRAUHHARP-OAHLLOKOSA-N 463.007 6.321 50 10 JKGE CCOC(=O)c1c(NC(=O)/C(C#N)=C\c2ccc(OCc3ccccc3)c(OC)c2)sc(C)c1C 209408328 ZSADFEDQAHUGQV-BKUYFWCQSA-N 490.581 5.675 50 10 JKGE COc1cc(Br)c(Oc2ccc(C)cc2CBr)cc1Br 234917054 GGFXYUOMQMPEJZ-UHFFFAOYSA-N 464.979 6.216 50 10 JKGE Cc1ccccc1C[C@H](Br)c1cc(Br)ccc1I 235766665 JAVSZSRWVXGSEV-AWEZNQCLSA-N 479.981 6.041 50 10 JKGE Fc1ccc(COc2c(Br)cc(CBr)cc2Br)cc1 236246697 RASWZWFUUDIXKZ-UHFFFAOYSA-N 452.943 5.825 50 10 JKGE Cc1nn(-c2ccccc2)c(O)c1C=NNC(=O)COc1ccc(C(C)(C)CC(C)(C)C)cc1 254765914 NIEPLZMPTLRIRE-UHFFFAOYSA-N 462.594 5.129 50 10 JKGE CC(=NNC(=O)c1cc(-c2ccccc2)nc2c(Cl)cccc12)c1ccc(OCC(C)C)cc1 254869060 YUWURWJWHGRVKO-UHFFFAOYSA-N 471.988 6.744 50 10 JKGE CCOc1cc(C=NNC(=O)Nc2ccccc2)ccc1OCCOc1ccc([C@H](C)CC)cc1 254871513 ZIVUPNJAOQIVSQ-OAQYLSRUSA-N 475.589 6.212 50 10 JKGE COCCOc1ccc([C@@H](Br)c2cscc2Br)cc1Br 404741310 PEGJBZYCINNMHR-CQSZACIVSA-N 485.035 5.783 50 10 JKGE Clc1sc([C@H](Br)c2cscc2Br)cc1Br 404875877 WQMMYIUQTJZANG-MRVPVSSYSA-N 451.430 6.472 50 10 JKGE Clc1cc([C@@H](Br)Cc2ccccc2Br)sc1Br 692422946 IWFLXGOBEBRIDP-VIFPVBQESA-N 459.428 6.605 50 10 JKGE Fc1c(Br)ccc(C[C@@H](CBr)c2cccc(Br)c2)c1F 701002844 KUSVSPKHADLIDS-NSHDSACASA-N 468.961 6.211 50 10 JKGE Fc1cc(CC(CBr)(CBr)c2ccccc2)ccc1Br 722015943 DJMHBLMKWAPROZ-UHFFFAOYSA-N 464.998 5.859 50 10 JKGE Cc1sc([C@@H](Br)c2csc(I)c2)c(C)c1Br 724909350 NFKYFDANCXTPMR-JTQLQIEISA-N 492.039 6.278 50 10 JKGE CS(=O)(=O)N(Cc1ccccc1Cl)c1ccc(C(=O)NN=Cc2cccc3ccccc23)cc1 1083954562 USAKODJIVJTZKM-UHFFFAOYSA-N 492.000 5.223 50 10 JKGE Cc1cc(C=NNC(=O)c2cc3ccccc3o2)c(C)n1-c1ccc(OCc2ccc(Cl)cc2)cc1 1084057857 WSWOYFGDYZDVCP-UHFFFAOYSA-N 497.982 6.837 50 10 JKGE COc1cc(C=NNC(=O)c2cc3ccccc3o2)cc(Cl)c1OCc1cccc(F)c1 1084401287 VXAKNFXBEWRPHF-UHFFFAOYSA-N 452.869 5.577 50 10 JKGE O=C(NN=Cc1cc(Br)ccc1OCc1cccc2ccccc12)c1cc2ccccc2o1 1084542582 SBZSFBIZPJYMGH-UHFFFAOYSA-N 499.364 6.691 50 10 JKGE Cc1c(C(=O)Nc2ccc(C(C)C)cc2)oc2c1C(=NNC(=O)c1ccc(Cl)cc1Cl)CCC2 1772747524 IVKOSTZYJLWPQD-UHFFFAOYSA-N 498.410 6.741 50 10 JKGE CC(C)(C)c1ccc(COc2ccc(C=NNC(=O)CSc3nc4ccccc4s3)cc2)cc1 1772760506 HRBDGLNYAZYORB-UHFFFAOYSA-N 489.666 6.415 50 10 JKGE O=C(CSc1nc2ccccc2o1)NN=Cc1c(OCc2ccccc2)ccc2ccccc12 1772760594 XEHQFPDVKRXMNL-UHFFFAOYSA-N 467.550 5.802 50 10 JKGE CCCc1nn(Cc2ccc(Cl)c(Cl)c2)c2c1[C@H](c1ccccc1F)C(C#N)=C(N)O2 1865681023 CPRVCMUTCRODQW-HXUWFJFHSA-N 457.336 5.548 50 10 JKGE N#CC1=C(N)Oc2c(c(-c3ccccc3)nn2Cc2c(F)cccc2Cl)[C@@H]1c1cccc(O)c1 1865681024 CSIHNXVFYPGROA-JOCHJYFZSA-N 472.907 5.315 50 10 JKGE CCCCCOc1ccc([C@@H]2C(C#N)=C(N)Oc3c2c(CCC)nn3Cc2ccc(C)cc2)cc1 1865690238 MIJQIFZERYNMHZ-AREMUKBSSA-N 470.617 5.980 50 10 JKGE CCCCCOc1ccc([C@@H]2C(C#N)=C(N)Oc3c2c(C)nn3Cc2ccccc2F)cc1OCC 1865690822 BXILILUXGVUVDX-AREMUKBSSA-N 490.579 5.565 50 10 JKGE CCOc1ccc([C@H]2C(C#N)=C(N)Oc3c2c(-c2ccc(OC)cc2)nn3-c2ccccc2Cl)cc1 1865693369 JAEITCCSVBVFGB-DEOSSOPVSA-N 498.970 5.818 50 10 JKGE CCCOc1ccc([C@H]2C(C#N)=C(N)Oc3c2c(C(F)(F)F)nn3Cc2cc(C)ccc2C)cc1 1865694327 TXDKMPMKBOVIOX-NRFANRHFSA-N 482.506 5.574 50 10 JKGE CCCCOc1ccc([C@@H]2C(C#N)=C(N)Oc3c2c(C)nn3Cc2c(F)cccc2Cl)cc1OC 1865696805 KZGUERFKGPTRMX-XMMPIXPASA-N 496.970 5.438 50 10 JKGE CCCc1nn(-c2ccc(Cl)c(Cl)c2)c2c1[C@@H](c1ccc3c(c1)OCCO3)C(C#N)=C(N)O2 1865698426 TUEIPRCTDACIST-NRFANRHFSA-N 483.355 5.121 50 10 JKGE CCCc1nn(CC(C)C)c2c1[C@H](c1ccccc1OCc1ccc(Cl)cc1)C(C#N)=C(N)O2 1865701499 WYCPFIDMMXCONA-XMMPIXPASA-N 477.008 5.942 50 10 JKGE CCCn1nc(-c2ccc(OC)cc2)c2c1OC(N)=C(C#N)[C@H]2c1ccc(N(CC)CC)cc1 1865701776 FCQYUUNKIBPJTJ-HSZRJFAPSA-N 457.578 5.033 50 10 JKGE CCc1nn(Cc2ccc(Cl)c(Cl)c2)c2c1[C@@H](c1ccc(OC)cc1OC)C(C#N)=C(N)O2 1865708028 LZYSMXORVVWPBN-NRFANRHFSA-N 485.371 5.036 50 10 JKGE CCN(CC)Cc1ccc(/C=N\NC(=O)c2ccc(-c3ccc(Cl)c(Cl)c3)nc2C)cc1 1865762355 AVZNVJRHOPVOIA-MBTHVWNTSA-N 469.416 5.970 50 10 JKGE Cc1ccc([C@H](CC(=O)N[C@@H](Cc2ccccc2)C(=O)Nc2ccc(SC#N)cc2)C2CC2)cc1C 1866721519 RVPCBFHZTJPYJP-IZLXSDGUSA-N 497.664 6.127 50 10 JKGE C/C(=C\c1cccc(Cl)c1)C(=O)N[C@H](Cc1ccccc1)C(=O)Nc1ccc(SC#N)cc1 1866822209 TXGUSSFIUZMBCD-YLJZTEMXSA-N 476.001 5.683 50 10 JKGE CCc1nc(Nc2ccc(SC#N)cc2)cc(N2CCO[C@H](c3cccc(Cl)c3)C2)n1 1868277891 LRSGHRDDPREZHI-FQEVSTJZSA-N 451.983 5.587 50 10 JKGE COc1cccc(/C=C(\C#N)n2cnc3ccccc32)c1OCc1ccc(Br)cc1 1872727159 BCHKYCKKOJNQFV-DEDYPNTBSA-N 460.331 5.908 50 10 JKGE CC(C)c1ccc(-c2csc(/C(C#N)=C(\O)[C@@H](C(C)C)N3C(=O)c4ccccc4C3=O)n2)cc1 1872751928 HSZTWSYNBUEQOH-KXNAUXDSSA-N 471.582 6.047 50 10 JKGE COc1ccc(Cl)cc1N1C[C@H](/C(O)=C(\C#N)c2nc(-c3ccc(F)cc3)cs2)CC1=O 1872753221 MSHRYPIGVKKEDN-CHOFAJOMSA-N 469.925 5.457 50 10 JKGE CCCCCCCOc1ccc(-c2csc(/C(C#N)=C(\O)c3cccc4ccccc34)n2)cc1 1872753228 NEGKJSJAGCAMFR-SGEDCAFJSA-N 468.622 8.262 50 10 JKGE N#C/C(=C(/O)c1ccc(N2C(=O)c3ccccc3C2=O)cc1)c1nc(-c2cccc(Cl)c2)cs1 1872817958 FMYITGMMLAMSAT-LNVKXUELSA-N 483.936 6.214 50 10 JKGE COc1cc([C@H](Br)c2cc(Br)c(OC)s2)ccc1Br 1876919622 WEKVMCDEOSOATL-LBPRGKRZSA-N 471.008 5.775 50 10 JKGE CC(C)(SC[C@@H]1C[C@H]1Cl)[C@@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)O 1893108431 SHKJYOZSEOWWHY-DLPLYFIVSA-N 459.995 5.117 50 10 JKGE BrCc1c(Br)cccc1N1C[C@@H]2CCN(Cc3ccccc3)[C@@H]2C1 1909108746 NZYYWHODHXJNBP-OXJNMPFZSA-N 450.218 5.055 50 10 JKGE C[C@@H](CCCl)N(Cc1ccccc1)S(=O)(=O)c1cc(Cl)c(Br)s1 1915113431 JRUNBORLDLOTRE-NSHDSACASA-N 457.242 5.372 50 10 JKGE O=C(c1ccc(I)c(Cl)c1)N(Cc1ccccc1)C1(CCl)CCC1 1915768652 QXXXDRBZMQGRQJ-UHFFFAOYSA-N 474.169 5.749 50 10 JKGE CC[C@H](c1ccccc1)[C@H](Br)c1sc(Br)cc1Br 1922945913 LSQJYQUVLPDINC-MFKMUULPSA-N 453.037 6.903 50 10 JKGE CC(C)([C@H]1CCCO1)[C@@H](Br)c1c(Br)sc(Br)c1Cl 1923067948 KQNAWPHOGZHROR-MUWHJKNJSA-N 481.475 6.568 50 10 JKGE CC(C)[C@H](Br)c1c(Br)sc(Br)c1Br 1924576898 UHGBPRFWZMXPOG-YFKPBYRVSA-N 455.835 6.128 50 10 JKGE Cl[C@@H](c1ccc2c(c1)CCC2)c1c(Br)sc(Br)c1Br 1924597141 YAUIPWSPBHWJCM-LBPRGKRZSA-N 485.466 6.853 50 10 JKGE ClC[C@H](I)[C@@H](CCl)OCc1cc(Cl)ccc1Br 2022699257 QZZNOQYEQZRUPG-WDEREUQCSA-N 472.375 5.269 50 10 JKGE Cc1cc(Br)c(C)c([C@H](Br)[C@H]2C[C@@H](Br)C2)c1Br 2022975251 ZOKMCGCCQXEKTN-VYUIOLGVSA-N 489.871 6.438 50 10 JKGE Cl[C@@H](c1cccc(I)c1)c1ccc(Br)cc1Br 2024281280 FGRNAGYIHQEZNN-ZDUSSCGKSA-N 486.372 6.144 50 10 JKGE CN(Cc1ccc(Br)s1)c1ccc(CBr)cc1Br 2039292473 DUSSSIGFYIBGKZ-UHFFFAOYSA-N 454.025 5.804 50 10 JKGE COc1cc(C=C(C#N)C(=O)c2c(C)[nH]c3ccccc23)ccc1OCc1cccc(C(F)(F)F)c1 2042446192 XZANVTTZUFMOSI-UHFFFAOYSA-N 490.481 6.873 50 10 JKGE BrC[C@H](Cc1ccccc1Br)Cc1cnsc1Br 2055665440 JWZNEHRJEAJMNH-SECBINFHSA-N 454.025 5.464 50 10 JKGE Brc1cc([C@@H](Br)[C@@H]2C[C@H]3COC[C@H](C3)C2)sc1Br 2085748240 OPOVSRRZHGFLRW-HAYRHPOISA-N 459.041 5.772 50 10 JKGE Fc1c(Br)ccc(Oc2cccc(Br)c2CBr)c1F 2096333619 NDUARRMELSGDHT-UHFFFAOYSA-N 456.906 6.177 50 10 JKGE Clc1nc(N2C[C@@]34CCC[C@@]3(CN(Cc3ccccc3)C4)C2)sc1CBr 2099099951 XYJOHPFEQYCLHA-BGYRXZFFSA-N 452.849 5.184 50 10 JKGE Brc1cccc(Br)c1C[C@@H]1CCCCCCC[C@@H]1Br 2112485953 UTXIDRCTWWILLE-JSGCOSHPSA-N 453.056 6.878 50 10 JKGE CN(Cc1cccc(Br)c1Br)[C@@H]1CCCCC[C@H]1Br 2115913470 GIQFXGDGWBVBFH-TZMCWYRMSA-N 454.044 5.740 50 10 JKGE Cc1cc(Br)c(CBr)c(N2CCC(CN(C)Cc3ccccc3)CC2)c1 2116807747 ZLLHZNJYZIBMIX-UHFFFAOYSA-N 480.288 6.001 50 10 JKGE Clc1ccc(I)c(C[C@@]2(CBr)CCCC23CCC3)c1 2117002087 VIWMDVRDEGZLLI-MRXNPFEDSA-N 453.589 6.223 50 10 JKGE C[C@@H]1Cc2cc([C@@H](Br)c3cc(Br)sn3)cc(Br)c2O1 2120032797 PHYDJTSVGPQAMG-SREIQFSDSA-N 468.008 5.476 50 10 JKGE CC(C)(C)[C@@H]1[C@@H](Br)CCN1Cc1cccc(Br)c1Br 2128675937 LILOUVPLQQRDTR-JSGCOSHPSA-N 454.044 5.596 50 10 JKGE Cc1c([C@@H](Br)c2cc(Br)c(Cl)cc2F)c(Br)nn1C 2131590176 MLNGHTLTQJFVPN-NSHDSACASA-N 475.381 5.530 50 10 JKGE Cc1c(Br)ccc([C@H](Br)[C@H]2CCCC3(CC3)C2)c1Br 2138860587 BNFFBDDEIMSLNS-XHDPSFHLSA-N 451.040 6.926 50 10 JKGE Cc1c(Br)ccc([C@@H](Cl)c2ccc(Cl)cc2Br)c1Br 2138864307 OIKTVYGUNICOPI-AWEZNQCLSA-N 487.844 7.264 50 10 JKGE CCn1ncc(Br)c1[C@H](Cl)c1ccc(Br)c(C)c1Br 2138875689 IBGSYKQTRIGSGZ-GFCCVEGCSA-N 471.418 5.827 50 10 JKGE Cc1cccc([C@@H](Br)c2ccc(Br)c(C)c2Br)c1F 2138875711 INRIIWKTSOPUDA-AWEZNQCLSA-N 450.971 6.452 50 10 JKGE CC1(C)CC2(C1)CC(CBr)(Cc1c(Br)cccc1Br)C2 2157155023 SDDBBRQEAMAONQ-UHFFFAOYSA-N 465.067 6.736 50 10 JKGE O=C(c1cc(Br)sc1Br)N1CCC[C@]2(CBr)CCC[C@@H]12 2165286364 OVKKLVMZXVAOHW-YGRLFVJLSA-N 486.067 5.443 50 10 JKGE CN(C(=O)c1cc(Br)ccc1Br)[C@@H]1CCCCC[C@@H]1Br 2172546812 IZZKPUPKNZRZOS-UONOGXRCSA-N 468.027 5.380 50 10 JKGE FC1(F)C2(CCC2)C12CC([C@H](Br)c1cc(Br)c(Br)s1)C2 2195137332 SNBFXAGULNXNKX-JRIBOLAGSA-N 491.033 6.925 50 10 JKGE COc1cc(Cl)c([C@H](Cl)c2cccc(Br)c2Cl)cc1Br 2202348251 YNOYUKYAIBSBIS-CYBMUJFWSA-N 459.392 6.855 50 10 JKGE Brc1cc(Br)c([C@H](Br)[C@@H]2OC[C@@H]3CCCC[C@H]32)s1 2218097394 FKIASHMQDJEPQN-JTRYMVSWSA-N 459.041 5.914 50 10 JKGE CCOCc1cc(Br)c([C@@H](Br)c2nc(C)sc2Br)s1 2224789238 NQKNGODNRWLGDJ-VIFPVBQESA-N 490.080 6.059 50 10 JKGE Cc1cc(Br)c([C@H](Br)[C@@H]2[C@H]3CCCO[C@H]32)c(C)c1Br 2227350359 HIWVBZVDQVTFRI-WNPSNZDDSA-N 453.012 5.689 50 10 JKGE Cc1cc(Br)c([C@H](Br)[C@H]2CC(C)(C)CO2)c(C)c1Br 2227354002 VQTLZIOSZQRPNX-BXUZGUMPSA-N 455.028 6.080 50 10 JKGE CN(Cc1ccccc1)CC(C)(C)n1c(CCCl)nc2c(F)cc(Br)cc21 2232922218 ICJHQOLKFBKCMQ-UHFFFAOYSA-N 452.799 5.586 50 10 JKGE Cc1cc(Br)c([C@@H](Br)C2CC(C3CCC3)C2)c(C)c1Br 2235607245 YUDVLXIDLDCOIE-FVKWTLKZSA-N 465.067 7.091 50 10 JKGE O=C(c1cc(Br)c(Br)s1)N1[C@H](CBr)C[C@@H]2CCCC[C@@H]21 2240764586 WRFOLBABFYYLDO-QXEWZRGKSA-N 486.067 5.441 50 10 JKGE Cc1cc(Br)sc1[C@H](Br)c1cccc(Cl)c1Br 2248098874 XCIPZOSDCPRTLO-LLVKDONJSA-N 459.428 6.719 50 10 JKGE Brc1cc([C@H](Br)C[C@@H]2CCCCC23CC3)c(Br)s1 2253876368 WNSDRJUOGVNTBK-GXSJLCMTSA-N 457.069 7.070 50 10 JKGE Cc1cc(F)c(Br)cc1[C@@H](Cl)c1cc(Br)sc1Br 2258096274 SABDYSKPCFGMFJ-LLVKDONJSA-N 477.418 6.811 50 10 JKGE Brc1cc(Br)cc(C[C@H](Br)c2cccc(Br)c2)c1 2263516840 IQXPZEBYWWPBPG-AWEZNQCLSA-N 497.850 6.653 50 10 JKGE Cc1cc(Br)c([C@@H](Br)C2CC3(CC(C)C3)C2)cc1Br 2272224690 CNYKBTLXBKJCGX-JLWJMNFPSA-N 451.040 6.782 50 10 JKGE ClCc1ccc(Br)c(Cl)c1Oc1cc(I)ccc1Cl 2272631708 ATKVMSQROJKNKT-UHFFFAOYSA-N 492.365 6.892 50 10 JKGE Fc1cc(Br)c(F)c(Br)c1[C@@H](Br)[C@H]1[C@H]2CCCC[C@H]21 2272841732 NMLLHZZRARQZOB-HAQMSTGISA-N 458.966 6.362 50 10 JKGE Fc1cc(Br)c(F)c(Br)c1[C@H](Br)[C@@H]1[C@@H]2CCCO[C@@H]21 2272844124 VAHBUBKILNFZES-VQOPIEAWSA-N 460.938 5.351 50 10 JKGE C[C@@H]1OC2([C@@H](Br)c3c(F)cc(Br)c(F)c3Br)CC1C2 2272848175 SKAYTWKPQYTIGB-AQKUBWQISA-N 460.938 5.493 50 10 JKGE CC1([C@H](Br)Cc2cc(Br)cc(Br)c2)CCCCCC1 2277947663 IVFOOKHWZVVRQH-OAHLLOKOSA-N 453.056 6.878 50 10 JKGE CCOC(=O)c1ccc(NC(=O)C(C#N)=Cc2ccc(OCc3ccc(F)cc3)c(OCC)c2)cc1 2293270343 VKUDGVXAYDJQLD-UHFFFAOYSA-N 488.515 5.526 50 10 JKGE C[C@@H](C[C@H](Br)Cc1cc(Br)cc(Br)c1)c1ccccc1 2295333542 LDZUBHOTEUCQOB-WFASDCNBSA-N 461.035 6.711 50 10 JKGE N#CC(=CNc1ccc(Cl)cc1Cl)c1nc(-c2cc3c(ccc4ccccc43)oc2=O)cs1 2295887842 KIVHTRYCNRARIP-UHFFFAOYSA-N 490.371 7.353 50 10 JKGE Cc1cc(NC(=O)C(C#N)=Cc2ccc(-c3ccc(SC(F)F)cc3)o2)n(-c2ccccc2)n1 2297398961 BUGBPHJTKKXXNZ-UHFFFAOYSA-N 476.508 6.301 50 10 JKGE CC(F)(F)[C@@H]1C[C@@H]1[C@H](Br)c1cc(Br)ccc1OCc1ccccc1 2299508639 KFAOVFVAERVLCS-LESCRADOSA-N 460.156 6.755 50 10 JKGE Fc1c(Br)cc(Cl)c([C@@H](Br)[C@@H]2CC2(F)F)c1Br 2300165199 ILMWHLKHTBMCQB-NOWQDGDBSA-N 457.309 6.095 50 10 JKGE Cc1scc([C@H](Br)c2sc(Br)c(C)c2C)c1Br 2303601487 PXPQJFZBMZMHTN-JTQLQIEISA-N 459.066 6.744 50 10 JKGE Cc1cccc(C[C@@H](Br)c2ccc(OCc3ccccc3)cc2Br)c1 2314448134 FHQJKPPVADHMTE-OAQYLSRUSA-N 460.209 7.015 50 10 JKGE Clc1ccc(C[C@@H](Br)c2cc(Br)ccc2OCc2ccccc2)cc1 2314448564 IYFLEGVZQCJDIR-HXUWFJFHSA-N 480.627 7.360 50 10 JKGE Brc1ccc(OCc2ccccc2)c([C@@H](Br)[C@H]2C[C@@H]3CCC[C@@H]3C2)c1 2314456243 VLWLZNUPNGNNNU-SUWCGCSTSA-N 464.241 7.290 50 10 JKGE C=CCNC(=O)C(C#N)=Cc1cn(-c2ccccc2)nc1-c1cccc(OCc2ccccc2F)c1 2314476362 NIUJFMHWDGNRQR-UHFFFAOYSA-N 478.527 5.467 50 10 JKGE N#CC(=Cc1ccc(-c2cccc(C(F)(F)F)c2)o1)C(=O)Nc1ccc(Cl)c(C(F)(F)F)c1 2314488315 NKNPYNPMRYHHLH-UHFFFAOYSA-N 484.783 7.183 50 10 JKGE CCOc1ccc(N2C(=O)[C@H](Cc3ccc(C)cc3)SC2=C(C#N)C(=O)NCc2ccccc2)cc1 2314593278 KUCQKYJEXKHNPX-SANMLTNESA-N 497.620 5.136 50 10 JKGE COc1ccc(-c2nn(-c3ccccc3)cc2C=C2C(=O)N(C3CCCC3)C(=O)C(C#N)=C2C)cc1F 2314616792 JWHVLTSNCPJTNZ-UHFFFAOYSA-N 496.542 5.222 50 10 JKGE CCCCOc1ccccc1[C@H]1C(C#N)=C(N)Oc2cc(OC(=O)C=Cc3ccccc3)ccc21 2314634855 WAWHVTWFJLNZRI-MUUNZHRXSA-N 466.537 5.702 50 10 JKGE Cc1cc(Br)c(F)c(Br)c1[C@@H](Br)C1CC(F)(F)C1 2317400404 TYPTZIDOKREOII-VIFPVBQESA-N 450.918 6.140 50 10 JKGE Cc1cc([C@@H](Br)c2csc(C)c2Br)c(C)cc1Br 2320497943 RQBDCMVGJATEDN-CQSZACIVSA-N 453.037 6.683 50 10 JKGE CC(=NNC(=O)c1ccc(-c2ccc(Cl)c(Cl)c2)nc1C)c1ccc2c(c1)N(C)C(=O)[C@@H](C)O2 2321281120 KDFQNXWHNZYXFM-OAHLLOKOSA-N 497.382 5.262 50 10 JKGE CC[C@@H](NC(=O)C(C#N)=CNc1ccc(Nc2ccccc2)cc1)c1ccc2c(c1)CCCC2 2325092481 YIEHPJFCZSRLSX-MUUNZHRXSA-N 450.586 6.396 50 10 JKGE CC1(C)CC[C@@H](Cc2ccc(I)c(Br)c2)[C@@H](Br)C1 2325175127 JPOIVQOZGMUFFM-AAEUAGOBSA-N 486.029 6.186 50 10 JKGE N#CC(=CNCCc1cccc(Br)c1)C(=O)Nc1ccc(Cl)c(C(F)(F)F)c1 2325385078 KNDRTZKDUZVOOH-UHFFFAOYSA-N 472.692 5.300 50 10 JKGE COc1cc(C=C(C#N)c2nc3ccccc3n2C)ccc1OCC(=O)Nc1ccc(C)cc1C 2331019611 DSASZAHOFBFSJH-UHFFFAOYSA-N 466.541 5.280 50 10 JKGE COc1cccc(C=C(C#N)c2nc3ccccc3n2C)c1OCc1c(Cl)cccc1Cl 2331019615 FEOPTGHMSOSGPR-UHFFFAOYSA-N 464.352 6.532 50 10 JKGE Cc1ccc(C)c(-c2csc(C(C#N)=C(O)[C@H](C(C)C)N3C(=O)c4ccccc4C3=O)n2)c1 2331319616 PYBRISLMWKOAJA-QFIPXVFZSA-N 457.555 5.540 50 10 JKGE COc1c(C)cc(Cl)cc1-c1csc(C(C#N)=C(O)C=Cc2ccc(Cl)cc2Cl)n1 2331391782 DQAHHKSGDWUSIQ-UHFFFAOYSA-N 477.800 7.593 50 10 JKGE COc1ccc(Cl)cc1-c1csc(C(C#N)=C(O)[C@@H](C)Oc2ccccc2C(C)C)n1 2331411177 WDSLKBURBSJODM-OAHLLOKOSA-N 454.979 6.856 50 10 JKGE CCCCOc1ccc(C=C(C#N)c2nc(-c3cc(Cl)c(OC)cc3OC)cs2)cc1OC 2331472476 XFKIMIIVKMCSGM-UHFFFAOYSA-N 485.005 6.732 50 10 JKGE COC(=O)c1c(NC(=O)CCCOc2ccc(C(C)(C)C)cc2)sc(C(C)=CC#N)c1C 2331560379 QZRSMDXVJQIWNX-UHFFFAOYSA-N 454.592 5.865 50 10 JKGE Brc1cc(OCc2ccccc2)ccc1[C@@H](Br)[C@@H]1C[C@H]1C1CCCCC1 2336045283 VKQXCRVXKUWJIT-QZNHQXDQSA-N 478.268 7.681 50 10 JKGE CC[C@@H]([C@@H](Br)c1c(Cl)cc(Br)c(F)c1Br)C(C)(F)F 2337085181 UZTCYQVXKLVHFX-SSDLBLMSSA-N 487.379 7.122 50 10 JKGE Fc1c(Br)cc(Cl)c([C@@H](Br)[C@]23C[C@H](CCO2)C3)c1Br 2337086200 IZEYUSAKBLYYEY-SMOQUIODSA-N 477.393 6.009 50 10 JKGE COc1c(Br)cc(C)c([C@@H](Br)[C@@H]2CC23CCC3)c1Br 2339656613 PLUZFSQJQOWPSQ-CABZTGNLSA-N 453.012 6.155 50 10 JKGE Clc1cccc([C@@H](CI)OCc2cccc(I)c2)c1 2341610876 DHQSOIVIEOFUJU-OAHLLOKOSA-N 498.529 5.638 50 10 JKGE Fc1c(Br)cc(Cl)c([C@H](Cl)C2CC(C(F)(F)F)C2)c1Br 2362230849 BPYOJFKFGIPGCH-HADCPYMZSA-N 458.902 6.873 50 10 JKGE CCN[C@@H](c1c(C)cc(Br)c(OC)c1Br)[C@H]1C[C@H](Br)C1 2365183871 MJNRJBKVNKDHPG-GPCCPHFNSA-N 470.043 5.353 50 10 JKGE Cc1cc(Br)c(F)c(Br)c1[C@H](Br)[C@]12CCCC[C@H]1CC2 2365195582 CVXHQRDILYXKCD-HNHYXYPQSA-N 469.030 7.066 50 10 JKGE COc1c(Br)cc(C)c([C@@H](Cl)c2nn(C)cc2Br)c1Br 2365226113 QMMJKVMLWWPUHB-LLVKDONJSA-N 487.417 5.353 50 10 JKGE Clc1ccc([C@@H](CBr)OCc2ccc(Cl)cc2I)cc1 2365644327 CJZRGWMNCRVYPV-OAHLLOKOSA-N 485.974 6.251 50 10 JKGE Clc1ccc(CN2C[C@@H](Br)CC23CCCCC3)c(I)c1 2366713926 DDKZKNHQPUWHAZ-ZDUSSCGKSA-N 468.604 5.617 50 10 JKGE CCN(CC)/C(=N/C(=C(Cl)Cl)P(=O)(c1ccccc1)c1ccccc1)c1ccccc1 2686371 GVVUFBISDCVAMT-ZZIIXHQDSA-N 471.368 6.393 50 10 JKGE COc1ccc2nc(N(/N=C/c3ccc([N+](=O)[O-])o3)C(=O)c3cc(Cl)sc3Cl)sc2c1 9629598 AMKFYAHRLHFOLQ-ODCIPOBUSA-N 497.341 5.855 50 10 JKGE Cc1ccc(C(C)C)c(OCC(=O)NNC(=O)c2cc(Br)ccc2OCCC(C)C)c1 14650759 LDGXRUMDOKUFJS-UHFFFAOYSA-N 491.426 5.146 50 10 JKGE Cc1ccccc1OCC(=O)Oc1ccc2c(c1)OC(N)=C(C#N)[C@H]2c1ccc(C(C)C)cc1 38649430 IGQOKUAFTHHHJJ-MHZLTWQESA-N 454.526 5.321 50 10 JKGE CCCOc1cccc(C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@H]3c2ccc(C(C)C)cc2)c1 38649606 KTZSPKUREGUPGM-MHZLTWQESA-N 468.553 6.036 50 10 JKGE N#CC1=C(N)Oc2cc(OC(=O)COc3ccc(F)cc3)ccc2[C@@H]1c1cccc2ccccc12 38657682 WRJXDKPUXQUPAO-MHZLTWQESA-N 466.468 5.181 50 10 JKGE C=CCOc1ccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)COc4cc(C)cc(C)c4)ccc32)cc1 38658197 ZGVJWKMNTJVMON-MUUNZHRXSA-N 482.536 5.071 50 10 JKGE COc1ccc(Br)cc1[C@@H]1C(C#N)=C(N)Oc2cc(OC(=O)c3ccccc3C)ccc21 38660673 KDBISQCNYXPGBU-HSZRJFAPSA-N 491.341 5.204 50 10 JKGE Cc1c(C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@@H]3c2ccco2)oc2ccc(Br)cc12 38688505 AJUAHMCELRYYOL-OAQYLSRUSA-N 491.297 5.534 50 10 JKGE Cc1c(C(=O)Oc2ccc(Cl)cc2Cl)oc2c1/C(=N/NC(=O)c1ccccc1O)CCC2 40826515 YAWSJBBYBOYVMG-WGOQTCKBSA-N 473.312 5.290 50 10 JKGE CCCCCCOc1ccc(/C=C(\C#N)C(=O)Nc2cc(C(F)(F)F)ccc2Cl)cc1OC 40841268 CIVPJMPYYKCYCA-SFQUDFHCSA-N 480.914 6.872 50 10 JKGE COC(=O)c1c(NC(=O)/C(C#N)=C/c2ccc(OC)cc2)sc(C)c1-c1cccc(Cl)c1 40977722 AJXWOXUUBVELMA-GZTJUZNOSA-N 466.946 5.718 50 10 JKGE CCCCOc1ccc(/C=C(\C#N)C(=O)Nc2nc(-c3ccc(Br)cc3)c(C)s2)cc1 41013303 AUKDJMXGWMXVMK-XMHGGMMESA-N 496.430 6.606 50 10 JKGE C=CCc1cc(/C=C(/C#N)C(=O)Nc2ccc(C)cc2)cc(OCC)c1OCc1ccc(Cl)cc1 59335094 HMXRMMBEBQGUQS-JLPGSUDCSA-N 486.999 6.900 50 10 JKGE O=C(N/N=C(/CSc1nc2ccccc2s1)c1ccc2ccccc2c1)c1cccc(Cl)c1 59460687 YWORHOXJOIZUCO-FAJYDZGRSA-N 488.037 7.029 50 10 JKGE BrC[C@@H](Cc1ccc(Br)cc1)Cc1ccc(Br)s1 97183209 XADJPCOYTJRLJM-NSHDSACASA-N 453.037 6.069 50 10 JKGE COC(=O)c1c(NC(=O)c2nc(SCc3ccccc3)ncc2Cl)sc(/C(C)=C\C#N)c1C 103005387 CETXZNZTXRDHHS-LCYFTJDESA-N 499.017 5.758 50 10 JKGE CCOc1ccc([C@@H](Cl)c2cc(Br)sc2Br)cc1OCC 109825529 UPSKQBAUXVVENW-CQSZACIVSA-N 454.611 6.399 50 10 JKGE CCOc1ccc(Br)cc1[C@@H](Br)c1cc(Br)ccc1C 115746962 RLGPELWAXWROFS-INIZCTEOSA-N 463.007 6.403 50 10 JKGE Brc1cc([C@@H](Br)[C@@H]2CCCc3ccccc32)sc1Br 128200275 HNMFREVHKQDYGL-RISCZKNCSA-N 465.048 6.829 50 10 JKGE CN(Cc1cc(Br)cs1)c1cc(Br)ccc1CBr 217331760 DJUMWHADVVAAOU-UHFFFAOYSA-N 454.025 5.804 50 10 JKGE COc1ccc([C@@H](Br)Cc2cccc(Br)c2)c(OC)c1Br 224854404 PYVCULWUEVHIKZ-ZDUSSCGKSA-N 479.006 5.908 50 10 JKGE Clc1c(Br)cccc1[C@H](Cl)c1cc(Br)c(Br)s1 228453986 DTWVTYZBAKYSBN-JTQLQIEISA-N 479.846 7.017 50 10 JKGE Brc1cc([C@@H](Br)c2ccoc2Br)sc1Br 232482618 KGMGSVDPCALBRX-ZETCQYMHSA-N 479.813 6.113 50 10 JKGE O=C1Cc2cc([C@H](Cl)c3cc(Br)sc3Br)c(Cl)cc2N1 236037868 FSMONCWGMXWPAN-LBPRGKRZSA-N 455.986 5.749 50 10 JKGE Clc1ccc(Br)c([C@H](Br)c2csc3c(Br)cccc23)c1 236056616 DOPBMHAOWDUEIF-AWEZNQCLSA-N 495.461 7.564 50 10 JKGE FC(F)(F)COCC(CBr)(CBr)c1ccc(Br)cc1 236129579 GZYCATGEZQCMJK-UHFFFAOYSA-N 468.933 5.056 50 10 JKGE Cc1ccc(OCC(=O)NN=Cc2cccc(OCc3cccc(Br)c3)c2)cc1C 252625351 QHULNURWSJTYSD-UHFFFAOYSA-N 467.363 5.174 50 10 JKGE CC(=NNC(=O)Cc1cccc2ccccc12)c1cccc(NC(=O)c2ccc(Cl)cc2)c1 252627101 RMFKBUTWFJHGHS-UHFFFAOYSA-N 455.945 5.828 50 10 JKGE CC(=NNC(=O)c1cc(-c2ccccc2)nc2ccccc12)c1ccc(NC(=O)c2ccncc2)cc1 252630166 UWJWWWNGLNEXMB-UHFFFAOYSA-N 485.547 5.703 50 10 JKGE COc1ccc(C=NNC(=O)COc2ccc3ccccc3c2)cc1COc1ccc([N+](=O)[O-])c(C)c1 252634243 WLPHLDHZXWZBHD-UHFFFAOYSA-N 499.523 5.173 50 10 JKGE COc1ccc(Br)cc1[C@@H](Br)c1sc(C)cc1Br 310625446 JWCCCZIHBMFPEP-GFCCVEGCSA-N 455.009 6.074 50 10 JKGE C[C@H](Cl)c1nc2cc(I)ccc2n1C[C@@H]1CCCN1Cc1ccccc1 390584693 QITCVGSHTFICNX-YJBOKZPZSA-N 479.793 5.605 50 10 JKGE CC(C)(C)OC(=O)N1C[C@H](c2c(Cl)cccc2Cl)[C@@H](CI)C1 394769842 FHLMJGJONCMOTK-QWRGUYRKSA-N 456.151 5.379 50 10 JKGE C[C@H]1C[C@H](n2c(CCCl)nc3cc(Br)c(F)cc32)CN1Cc1ccccc1 398227846 VPICAKYZOWAWAX-HOCLYGCPSA-N 450.783 5.555 50 10 JKGE Cc1cccc(CCOc2c(Br)cc(CBr)cc2Br)n1 399796066 NTEYKKTUNJNSEN-UHFFFAOYSA-N 463.995 5.431 50 10 JKGE CO[C@@H]1CCC[C@H](O[C@](C)(CI)c2ccccc2Br)C1 686010121 JQBFLFQWFAJGNR-DVOMOZLQSA-N 453.158 5.074 50 10 JKGE O=C(CSCc1ccccc1)NN=C1C(=O)N(Cc2cccc3ccccc23)c2ccccc21 1084113167 SYTFCPAUTYZLJF-UHFFFAOYSA-N 465.578 5.140 50 10 JKGE COc1cc(C=NNC(=O)c2ccco2)cc(Br)c1OCc1cccc2ccccc12 1084277091 QBLIPRIYLIDSRE-UHFFFAOYSA-N 479.330 5.547 50 10 JKGE COc1cc(C=NNC(=O)c2ccc(Br)cc2)ccc1OCc1cccc2ccccc12 1084291443 QPTUOKIDHHIKIT-UHFFFAOYSA-N 489.369 5.954 50 10 JKGE Cc1cc(C)cc(NC(=O)/C(C#N)=C/c2cc(C)n(-c3ccc(N4CCOCC4)cc3)c2C)c1 1084318502 GYWXBMMWDCUNOV-JJIBRWJFSA-N 454.574 5.093 50 10 JKGE N#C/C(=C/Nc1ccc(OC(F)(F)F)cc1)[C@@H]1C(=O)C=C[C@H]1Nc1ccc(OC(F)(F)F)cc1 1088741854 QHYHQOYTPOBUQO-VHTZEAEFSA-N 483.368 5.539 50 10 JKGE FC(F)(F)Oc1ccc([C@@H]2CN(Cc3ccccc3)C[C@H]2CI)cc1 1614613239 FCZPXHGFELJMLT-AEFFLSMTSA-N 461.265 5.236 50 10 JKGE N#CSc1ccc(NC(=O)Oc2cccc3c(NC(=O)Cc4ccccc4)cccc23)cc1 1858770496 NQBZFQPLMBKHBX-UHFFFAOYSA-N 453.523 6.205 50 10 JKGE N#CC1=C(N)Oc2c(c(-c3ccccc3)nn2-c2ccc(Cl)cc2)[C@@H]1c1cccc(Cl)c1 1865682955 BOGGFPRUNLYCON-OAQYLSRUSA-N 459.336 6.064 50 10 JKGE N#CC1=C(N)Oc2c(c(-c3ccccc3)nn2-c2cccc(Cl)c2)[C@H]1c1ccc(Cl)cc1Cl 1865685032 CRMDOZUTJUGVFK-NRFANRHFSA-N 493.781 6.718 50 10 JKGE CCCCOc1ccc([C@H]2C(C#N)=C(N)Oc3c2c(C)nn3Cc2ccccc2Cl)cc1OCC 1865686915 FDWSWPDSZPALPE-VWLOTQADSA-N 493.007 5.689 50 10 JKGE CCCCOc1ccc([C@@H]2C(C#N)=C(N)Oc3c2c(C)nn3Cc2ccccc2F)cc1OCC 1865686964 GHHGSEHOBLPNPP-RUZDIDTESA-N 476.552 5.175 50 10 JKGE CCCCOc1ccc([C@H]2C(C#N)=C(N)Oc3c2c(CC)nn3-c2ccc(OC)cc2)cc1OCC 1865687547 UNTVRTAGGQVFEJ-VWLOTQADSA-N 488.588 5.239 50 10 JKGE CCCCOc1ccc([C@H]2C(C#N)=C(N)Oc3c2c(CC)nn3Cc2cc(C)ccc2C)cc1OC 1865696111 CKQPOLUXMINBLZ-SANMLTNESA-N 486.616 5.516 50 10 JKGE CCCCOc1ccc([C@H]2C(C#N)=C(N)Oc3c2c(CC)nn3-c2cccc(Cl)c2)cc1OC 1865697449 STBYIQZZDPDQDR-QHCPKHFHSA-N 478.980 5.494 50 10 JKGE N#CC1=C(N)Oc2c(c(-c3ccccc3)nn2-c2cccc(Cl)c2)[C@H]1c1cccc([N+](=O)[O-])c1 1865705922 JJVXGVZEHKAMJI-NRFANRHFSA-N 469.888 5.319 50 10 JKGE CCCc1nn(-c2cccc3ccccc23)c2c1[C@H](c1cc(Cl)c(O)c(OC)c1)C(C#N)=C(N)O2 1865706944 JOWBVIQXRDKMDD-HSZRJFAPSA-N 486.959 5.564 50 10 JKGE Cc1cccc([C@@H]2C(C#N)=C(N)Oc3c2c(-c2ccccc2)nn3Cc2c(F)cccc2Cl)c1 1865710776 IDZARUWDGUGVCS-HSZRJFAPSA-N 470.935 5.918 50 10 JKGE Cc1ccccc1[C@H]1C(C#N)=C(N)Oc2c1c(-c1ccccc1)nn2Cc1ccc(Cl)cc1 1865713457 ZQJDGWZOMQNOGO-QHCPKHFHSA-N 452.945 5.778 50 10 JKGE N#CC1=C(N)Oc2c(c(-c3ccccc3)nn2Cc2ccccc2)[C@H]1c1ccc(Br)cc1 1865714283 GBTOJEPFXOAJIT-QFIPXVFZSA-N 483.369 5.579 50 10 JKGE CCOC(=O)c1c(-c2ccccc2)csc1NC(=O)/C(C#N)=C/c1ccc(Br)cc1 1866129530 XXFVQBBGTHWRJX-SFQUDFHCSA-N 481.371 5.900 50 10 JKGE CC[C@](C)(NC(=O)[C@H](C)c1ccc(Br)cc1)C(=O)Nc1ccc(SC#N)cc1 1866943422 BUOKXMLKQZXTMS-SZNDQCEHSA-N 460.397 5.049 50 10 JKGE CCc1nc(Nc2ccc(SC#N)cc2)cc(N2CCc3ccccc3[C@H]2c2cccc(OC)c2)n1 1868277979 OIEFJACIGJVNKW-GDLZYMKVSA-N 493.636 6.516 50 10 JKGE CCOc1cc(/C=C(\C#N)c2ccc(C(=O)OC(C)C)o2)ccc1OCc1ccccc1Cl 1872728731 QCBPZIBSRQFMQS-DEDYPNTBSA-N 465.933 6.540 50 10 JKGE CCn1c(/C(C#N)=C/c2ccc(OCc3ccc(Cl)c(Cl)c3)c(OC)c2)nc2ccccc21 1872731168 SBBGXWFSOXDAEZ-XDHOZWIPSA-N 478.379 7.015 50 10 JKGE Cc1ccc(C)c(OC/C(O)=C(\C#N)c2nc(-c3ccc(Br)cc3)cs2)c1C 1872746310 BUNXXBLYNGVWBI-ZZEZOPTASA-N 455.377 6.370 50 10 JKGE CCOc1ccc(/C=C/C(O)=C(\C#N)c2nc(-c3cc(C(C)(C)C)ccc3OC)cs2)cc1OC 1872751444 IDPQPUFXUBUKJM-ARDXNMSASA-N 490.625 7.030 50 10 JKGE N#C/C(=C(/O)c1ccc(N2C(=O)c3ccccc3C2=O)cc1)c1nc(-c2c[nH]c3ccccc23)cs1 1872753008 CWVVOBLUSWROOC-DAFNUICNSA-N 488.528 6.042 50 10 JKGE COc1ccc(-c2csc(/C(C#N)=C(\O)c3ccc4c(c3)C(=O)N(CC(C)C)C4=O)n2)c(C)c1C 1872753746 LBHZSFWUQNLKEZ-FLFQWRMESA-N 487.581 5.637 50 10 JKGE N#C/C(=C(/O)COc1ccc(Cl)cc1)c1nc(-c2ccc(Oc3ccccc3)cc2)cs1 1872753821 OJMZCYWCBHPWKQ-GYHWCHFESA-N 460.942 7.127 50 10 JKGE COc1c(C)cc(Cl)cc1-c1csc(/C(C#N)=C(\O)[C@H](C)Oc2ccc(Cl)cc2)n1 1872756982 LHSJQEDLSCABCL-HGENEIFLSA-N 461.370 6.694 50 10 JKGE COc1ccc(-c2csc(/C(C#N)=C(\O)CCCOc3ccccc3C)n2)c2ccccc12 1872758599 IAFKPXAVXVSFLA-GYHWCHFESA-N 456.567 6.932 50 10 JKGE CCCCCOc1ccc(/C=C(\C#N)c2nc(-c3ccc4c(c3)OCCO4)cs2)cc1OC 1872791366 HAVLRCFMJLCOOD-DEDYPNTBSA-N 462.571 6.223 50 10 JKGE CCOc1cc(/C=C(\C#N)c2nc(-c3ccc4c(c3)OCO4)cs2)cc(Br)c1O 1872792148 HGEQWBYRFLIVEK-LHHJGKSTSA-N 471.332 5.470 50 10 JKGE CCCCOc1ccc(/C=C(\C#N)c2nc(-c3cc(C(C)C)c(OC)cc3C)cs2)cc1OC 1872793312 SUUPVZFOHAKXET-FYJGNVAPSA-N 476.642 7.502 50 10 JKGE CC(C)(C)OC(=O)N1CCC[C@H]1C(=O)N/N=C/c1cccc(OCc2ccc(Cl)c(Cl)c2)c1 1873795274 VTRVRAIVSZJLCF-XYGFXTTESA-N 492.403 5.422 50 10 JKGE Brc1ccccc1[C@@H](CI)OCCOCc1ccccc1 1884493728 IJNMZBHFTBLSSG-QGZVFWFLSA-N 461.137 5.159 50 10 JKGE O=S(=O)(c1cc(Cl)c(Br)s1)N(CCCBr)Cc1ccccc1 1914641685 IKNQOSXWINRLNM-UHFFFAOYSA-N 487.666 5.140 50 10 JKGE C[C@H](CCCl)N(Cc1ccccc1)C(=O)c1cc(Br)c(Br)s1 1915081082 MMCGGXVDXXUYMW-LLVKDONJSA-N 465.638 5.933 50 10 JKGE O=S(=O)(c1cc(Cl)cc(Cl)c1)N(Cc1ccccc1)[C@@H](CBr)C1CC1 1915171005 VQTCPSCHRDGXEV-SFHVURJKSA-N 463.224 5.358 50 10 JKGE Cc1cc([C@@H](Br)c2csc3c(Br)cccc23)oc1Br 1917606286 OAIMNBYJBGNZPB-LBPRGKRZSA-N 465.004 6.812 50 10 JKGE O=C(c1scc(Br)c1Br)N1CC[C@]2(CCC[C@@H]2Br)C1 1918928000 RDHYJANJVTUUNT-TVQRCGJNSA-N 472.040 5.053 50 10 JKGE COc1cc([C@@H](Br)c2sc(Br)c(C)c2Br)ccc1C 1922903531 XVYXWTVDSULSBJ-GFCCVEGCSA-N 469.036 6.383 50 10 JKGE Cc1c(Br)sc([C@@H](Br)[C@@H]2CCCCC2(C)C)c1Br 1922953728 HAXPYKPWLMPPAZ-ONGXEEELSA-N 459.085 7.234 50 10 JKGE Clc1c(Br)sc(Br)c1[C@H](Br)[C@H]1CC[C@H]2C[C@H]1CO2 1923068306 PMLSUYQBQGNNEY-BMLSCUAFSA-N 479.459 6.178 50 10 JKGE C[C@@H](c1ccncc1Br)[C@@H](Br)c1ccc(Cl)cc1Br 1924039620 LPGMQXQNXWVELW-RMLUDKJBSA-N 468.414 6.500 50 10 JKGE CC(C)C[C@H](C)[C@@H](Cl)c1c(Br)sc(Br)c1Br 1924612479 MFCMQIKGOCRLJV-IMTBSYHQSA-N 453.465 6.998 50 10 JKGE Fc1cc(Cl)c(Br)cc1[C@@H](Br)c1sccc1Br 1948503106 AEFTZJTUVAIZIC-SNVBAGLBSA-N 463.391 6.550 50 10 JKGE CN(C(=O)c1csc(Br)c1Br)[C@H](CBr)C(C)(C)C 2032955834 FYCRXHWFLRKYSQ-MRVPVSSYSA-N 462.045 5.155 50 10 JKGE Fc1cc(Cl)c(Br)cc1[C@@H](Cl)c1csc(Br)c1Br 2036568791 QIBDPGOJJOQUTR-SNVBAGLBSA-N 497.836 7.156 50 10 JKGE C=CCOc1c(Br)cc(C=C(C#N)c2ccc(Cl)cc2)cc1Br 2040465827 MCHGXYCZTNKNIR-UHFFFAOYSA-N 453.561 6.494 50 10 JKGE CCc1nc([C@H](Br)c2cc(Br)sc2CC)c(Br)s1 2050331034 JVPQOKZTHDAFDQ-SNVBAGLBSA-N 474.081 6.339 50 10 JKGE O=C(NN=CC1=C(N2CCOCC2)C(=Cc2ccccc2)CC1)Nc1ccc(Cl)c(Cl)c1 2053607071 LMIDQZHRGVBXAJ-UHFFFAOYSA-N 471.388 5.564 50 10 JKGE FC(F)(C1CCCC1)[C@@H](Br)c1c(Br)sc(Br)c1Cl 2065542959 ZKFMCINAEYWYAH-QMMMGPOBSA-N 487.429 7.188 50 10 JKGE Cl[C@H](c1c(Br)sc(Br)c1Br)[C@@H]1CC2(CCCC2)CO1 2109977110 ADZYRXHSOZDNTG-XVKPBYJWSA-N 493.486 6.665 50 10 JKGE C[C@]12CN(Cc3ccccc3)C[C@@H]1CN(c1cc(Br)cc(F)c1CBr)C2 2114267930 QCFRXCSYBRUNPE-IIBYNOLFSA-N 482.235 5.441 50 10 JKGE Clc1cc(Br)cnc1C[C@@H](CBr)c1cccc(Br)c1 2127194698 HCCLSIXCSACMPE-JTQLQIEISA-N 468.414 5.981 50 10 JKGE Cc1cc(Br)c(C)c([C@@H](Cl)c2ccc(Br)cc2)c1Br 2136369584 DXAWEMGHXPSRHJ-HNNXBMFYSA-N 467.426 6.919 50 10 JKGE CCC(CC)(CC)[C@@H](Br)c1c(C)c(Br)cc(C)c1Br 2136379662 MUAKQQMMRBDBDE-HNNXBMFYSA-N 455.072 7.481 50 10 JKGE Cc1c(F)ccc([C@@H](Br)c2cc(Br)ccc2Br)c1C 2138891191 SFKDLFQJKPHNDX-OAHLLOKOSA-N 450.971 6.452 50 10 JKGE CC(C)(C)OC(=O)N[C@H](C[S@@](C)(=O)=NCC1(CBr)CCCCC1)C(C)(C)C 2163061915 IYFDILYBZYTSHH-CHAGWJKLSA-N 467.514 5.369 50 10 JKGE O=C(c1c(Br)cccc1Br)N1CC[C@H](Br)CC12CCC2 2169874869 FSXPFTQMGNOKDA-JTQLQIEISA-N 466.011 5.134 50 10 JKGE Fc1cc(Br)cc(N2CCC[C@@H]2[C@H]2CCN(Cc3ccccc3)C2)c1CBr 2170686337 WKIDAQQLPTYZQT-LAUBAEHRSA-N 496.262 5.974 50 10 JKGE O=S(=O)(c1cc(F)c(Cl)c(CBr)c1)N(Cc1ccccc1)C1CCCCC1 2179862183 SIHIWFILCUSWFO-UHFFFAOYSA-N 474.823 5.898 50 10 JKGE C[C@H](N(Cc1ccccc1)S(=O)(=O)c1cc(Cl)cc(CBr)c1Cl)C(C)(C)C 2179864164 XKUSLRPMRYCVSA-AWEZNQCLSA-N 493.294 6.514 50 10 JKGE COc1cc([C@@H](Br)c2cc(Br)c(Cl)cc2C)ccc1Br 2202350285 CUAJLEBRWPGAMS-OAHLLOKOSA-N 483.425 6.666 50 10 JKGE Fc1ccc([C@@H](CI)OCc2cc(F)ccc2Br)cc1 2206270835 PNIWISXTOMXOSU-OAHLLOKOSA-N 453.064 5.420 50 10 JKGE FC(F)(F)[C@@H]1CC[C@@H]1[C@H](Br)c1cc(Br)ccc1Br 2217670286 XDKNWGSFSQXOFX-NMLBEHRDSA-N 450.918 6.236 50 10 JKGE CC(C)[C@H](CBr)N(Cc1ccccc1)S(=O)(=O)Cc1ccc(Br)cc1 2218987082 GCVCVKUMFVPBIU-IBGZPJMESA-N 489.273 5.201 50 10 JKGE CC(C)[C@H](CBr)N(Cc1ccccc1)C(=O)Cc1ccc(Br)cc1Cl 2221699644 KMRKHGXYOFYQIY-IBGZPJMESA-N 487.663 6.093 50 10 JKGE CCOCc1cc(Br)c([C@H](Cl)c2ccccc2OCc2ccccc2)s1 2224769406 AWNHQOICXVPZOF-HXUWFJFHSA-N 451.813 6.954 50 10 JKGE Cc1ccc(C(CBr)(CBr)Cc2ncsc2Br)cc1 2226132944 GYEOPCIEMOJZGK-UHFFFAOYSA-N 468.052 5.484 50 10 JKGE COc1ccc([C@H](Br)c2scc(Br)c2Cl)c(Cl)c1Cl 2264606257 YQJIFFWIODEGQJ-QMMMGPOBSA-N 465.421 6.964 50 10 JKGE COc1c([C@@H](Br)c2cscc2Br)cc(Br)c(C)c1C 2269112681 YRQKXRATEIUVFB-CYBMUJFWSA-N 469.036 6.383 50 10 JKGE COc1ccc([C@@H](Br)c2ccc(Br)c(C)c2)cc1I 2269551796 ARMBNKBNWWPXII-HNNXBMFYSA-N 495.980 5.855 50 10 JKGE FC1(F)CC2(C[C@H]2[C@H](Br)Cc2cc(Br)cc(Br)c2)C1 2277955970 ODEHLKDVPQUASG-NWDGAFQWSA-N 458.966 5.953 50 10 JKGE COc1c(C)cc(Br)cc1[C@@H](Cl)c1c(F)cccc1I 2282889000 RHICNWSYOLBIGO-CQSZACIVSA-N 469.519 5.838 50 10 JKGE COc1cc(C)c(Br)c(C)c1[C@H](Cl)c1cccc(I)c1 2285075844 XCHNXRSMYYNEHO-MRXNPFEDSA-N 465.556 6.007 50 10 JKGE CC(C=NNC(=O)CSc1nnc(-c2ccc(C)cc2)n1-c1ccccc1)=Cc1ccccc1 2293430103 WHWUHVYMNWEUJE-UHFFFAOYSA-N 467.598 5.540 50 10 JKGE Cc1ccc(CBr)cc1NC(=O)c1c(Br)cccc1Br 2296120823 KIYYWCGYUFEQQE-UHFFFAOYSA-N 461.979 5.667 50 10 JKGE COc1ccccc1Oc1nc2ccccn2c(=O)c1C=C(C#N)c1nc2ccccc2s1 2296719464 XGNUAVJISWKFNG-UHFFFAOYSA-N 452.495 5.169 50 10 JKGE COc1cc(C=C(C#N)c2nc(-c3ccc(C)c(C)c3)cs2)ccc1OCc1ccccc1 2296801651 ZKYSLBZHJUCERJ-UHFFFAOYSA-N 452.579 7.079 50 10 JKGE N#CC(=Cc1ccc([N+](=O)[O-])cc1)c1nc(-c2cc3cc(Br)ccc3oc2=O)cs1 2297213719 KEUCAJUUVKPPEV-UHFFFAOYSA-N 480.299 5.651 50 10 JKGE Fc1cc(Cl)c(Br)cc1[C@@H](Br)c1cnsc1Br 2300278984 QNEDVNKCXBHYML-SECBINFHSA-N 464.379 5.945 50 10 JKGE C=CCc1cc(C=C(C#N)C(=O)N2CCN(c3ccccc3)CC2)ccc1OCc1ccccc1 2313567113 GOAFDFFBSSQRBL-UHFFFAOYSA-N 463.581 5.250 50 10 JKGE N#CC(=Cc1cccc(OCc2ccc(Br)cc2)c1)C(=O)Nc1ccc(F)cc1 2313630289 DPLDCOYAUBPNGX-UHFFFAOYSA-N 451.295 5.713 50 10 JKGE CS(=O)(=O)[C@H]1C[C@H]([C@@H](Br)c2cc(Br)ccc2OCc2ccccc2)C1 2314442786 HCRKWUYBUOELNL-IDHHARJASA-N 488.241 5.287 50 10 JKGE CCCCCCCCOc1ccc(C=C2C(=O)N(CC(C)C)C(=O)C(C#N)=C2C)cc1OC 2314610182 DNRZTUZQCFQXFY-UHFFFAOYSA-N 452.595 5.683 50 10 JKGE CCCOc1ccc(C=C(C#N)C(=O)Nc2nc(-c3ccc(-c4ccccc4)cc3)cs2)cc1 2314737657 HNRAGDFBCIDAFN-UHFFFAOYSA-N 465.578 6.812 50 10 JKGE Fc1cc(Br)c(F)c(Br)c1[C@@H](Cl)c1cnsc1Br 2315618661 ZWORZMNZKFNLHC-QMMMGPOBSA-N 482.369 6.037 50 10 JKGE COc1ccc(C=NNC(=O)CSc2nc3ccccc3s2)cc1OCc1cccc(Cl)c1 2321684676 GVQQKOWXUXKPDM-UHFFFAOYSA-N 498.029 5.780 50 10 JKGE Clc1cc(Br)c(C[C@@H](CBr)c2cccc(Br)c2)s1 2322540536 KOQROIPBJMVILC-VIFPVBQESA-N 473.455 6.648 50 10 JKGE CCOc1c(Cl)cc(C=NNC(=O)c2nc(Cl)c(Cl)c(N)c2Cl)cc1Cl 2323766866 KEOZYQCMRFHYPF-UHFFFAOYSA-N 456.544 5.093 50 10 JKGE COc1ccc(OC)c(NC(=O)C(C#N)=CNc2cc(C(F)(F)F)cc(C(F)(F)F)c2)c1 2325161827 CQUWEDRUIFNNNR-UHFFFAOYSA-N 459.346 5.199 50 10 JKGE BrC[C@]1(Cc2ccc(I)c(Br)c2)CC12CCCC2 2325218560 QBWFMJLHTZPOIJ-HNNXBMFYSA-N 484.013 5.942 50 10 JKGE CCOc1cc(C(O)=C(C#N)c2nc(-c3ccc4ccccc4c3)cs2)cc(OCC)c1OCC 2331236809 CYZXXJRREKARAP-UHFFFAOYSA-N 486.593 7.109 50 10 JKGE CCc1ccc(-c2csc(C(C#N)=C(O)[C@@H]([C@H](C)CC)N3C(=O)c4ccccc4C3=O)n2)cc1 2331245875 CRNIYNCGQUKALY-WAIKUNEKSA-N 471.582 5.876 50 10 JKGE N#CC(=C(O)c1ccccc1C(=O)c1ccccc1)c1nc(-c2cccc(Br)c2)cs1 2331279449 ZVZKPDFEZYYSMK-UHFFFAOYSA-N 487.378 6.753 50 10 JKGE CCCOc1ccc(-c2csc(C(C#N)=C(O)c3ccc(-c4ccccc4)cc3)n2)cc1OCCC 2331293298 SYUXPXLROGCPEL-UHFFFAOYSA-N 496.632 8.005 50 10 JKGE COc1ccc(OC)c(-c2csc(C(C#N)=C(O)c3ccc(N4CCCC4)c([N+](=O)[O-])c3)n2)c1 2331325361 QACYVZDMAAHCFZ-UHFFFAOYSA-N 478.530 5.286 50 10 JKGE CC[C@@H](C)[C@@H](C(O)=C(C#N)c1nc(-c2c[nH]c3ccccc23)cs1)N1C(=O)c2ccccc2C1=O 2331348996 IGPKTOCXNJZQIP-CMJOXMDJSA-N 482.565 5.795 50 10 JKGE CCOc1ccc(OCC)c(-c2csc(C(C#N)=C(O)COc3ccc(C)c(C)c3)n2)c1 2331376504 LEXAQSMZUSMTOV-UHFFFAOYSA-N 450.560 6.096 50 10 JKGE Cc1cc(C)c(-c2csc(C(C#N)=C(O)CNC(=O)c3ccc(Cl)cc3Cl)n2)c(C)c1 2331393070 MIDCZIWGJOZRQJ-UHFFFAOYSA-N 472.397 6.265 50 10 JKGE COc1c(Cl)cc(-c2csc(C(C#N)=C(O)[C@H](C)Oc3ccc(Cl)cc3)n2)cc1Cl 2331397484 HRJANIXTVSXIDR-NSHDSACASA-N 481.788 7.039 50 10 JKGE N#CC(=C(O)CN1C(=O)COc2ccc(Cl)cc21)c1nc(-c2cc(Cl)ccc2Cl)cs1 2331405543 VQDJWKRRGUJWQP-UHFFFAOYSA-N 492.771 5.989 50 10 JKGE COc1ccc(C)c([C@@H](Br)c2cc(Br)ccc2OCc2ccccc2)c1 2336056029 FSYUCWJXZXOINV-JOCHJYFZSA-N 476.208 6.829 50 10 JKGE Clc1c(Br)sc(Br)c1[C@H](Br)[C@@H]1C[C@H]2CCC[C@H]1CC2 2338742290 UXIPSLLYVJNWJD-WYOJIJJFSA-N 491.514 7.579 50 10 JKGE COc1c(Br)cc(C)c([C@@H](Br)[C@@H]2[C@@H](C)C2(F)F)c1Br 2339690656 KHMYBTOWGUTJBL-WHFVKQHSSA-N 462.954 5.866 50 10 JKGE C[C@H](c1ccncc1F)[C@@H](Cl)c1cc(Br)ccc1I 2344696073 PDTMMLWIJZDSQG-XLKFXECMSA-N 454.508 5.671 50 10 JKGE C[C@@H](c1ccncc1F)[C@@H](Br)c1ccc(Br)cc1I 2344707816 AVMRKEMAWVOEMX-RMLUDKJBSA-N 498.959 5.828 50 10 JKGE Clc1ccc(I)cc1CC[C@@H](Cl)c1cccc(Br)c1 2352415049 BPLCZXNAVQXIJZ-CQSZACIVSA-N 469.975 6.620 50 10 JKGE Cc1cc(CBr)ccc1OCc1cc(I)ccc1Cl 2352425867 MEKORCFSPJQGAH-UHFFFAOYSA-N 451.529 5.727 50 10 JKGE Cc1cc(C(F)(F)F)sc1[C@@H](Cl)c1ccc(OCc2ccccc2)cc1Br 2361178729 QCIUHTWXVLYKTI-SFHVURJKSA-N 475.757 7.745 50 10 JKGE Fc1c(Br)cc(Cl)c([C@H](Br)C[C@@H]2C[C@H]3CC[C@H]2C3)c1Br 2362255322 PJNDTJRCQSRVAD-AATLWQCWSA-N 489.448 7.266 50 10 JKGE Cc1cc(Br)c(C)c([C@H](Br)[C@H]2COC3(C)CC2C3)c1Br 2362924194 RNAFOLGWRFTZIR-GULOTPMNSA-N 467.039 6.080 50 10 JKGE FC(F)(F)C12CC([C@@H](Br)c3c(Cl)sc(Br)c3Cl)(CO1)C2 2363909851 DRELRUIXEKIJPA-OUBRSPPYSA-N 474.951 6.365 50 10 JKGE Cc1cc(Br)c(F)c(Br)c1[C@H](Br)C1[C@H]2CCCCC[C@H]12 2365191857 RXYKPFHKKZSLGA-BHDSKKPTSA-N 469.030 6.921 50 10 JKGE Cc1cc(Br)c(F)c(Br)c1[C@@H](Br)[C@]12C[C@H](C[C@@H](C)O1)C2 2368526322 SMYWSPWHEGSBPO-CXDKZYLESA-N 471.002 6.053 50 10 JKGE O=C(c1csc(Br)c1Br)N1CCC[C@H](Br)[C@H]1C(F)(F)F 2370254064 YRPVOQWPRVEROT-XPUUQOCRSA-N 499.972 5.204 50 10 JKGE Cc1ccc(C[C@@H]2S/C(=C(/C#N)C(=O)Nc3ccc(F)cc3)N(c3ccc(Cl)cc3)C2=O)cc1 2343779 SEVUFBHNSMBOIG-YDYXIROLSA-N 491.975 5.853 50 10 JKGE N#C/C(=C/c1c[nH]c2ccc(OCc3ccccc3)cc12)C(=O)Nc1cc(Cl)ccc1Cl 2779834 PKGXGSMMALDNKW-YVLHZVERSA-N 462.336 6.599 50 10 JKGE N#C/C(=C\c1ccc(-c2ccc(Cl)c(Cl)c2)o1)C(=O)Nc1sc2c(c1C#N)CCCC2 14151697 GRVUTHHIVVAIIX-NTEUORMPSA-N 468.365 6.611 50 10 JKGE CSc1cccc(N/C(SCc2ccc(C)cc2)=C(/C#N)S(=O)(=O)c2ccccc2)c1 20325534 JMGUZVQNAAMAMS-WCWDXBQESA-N 466.653 6.229 50 10 JKGE N#C/C(=C\c1cccn1Cc1ccc(Cl)cc1Cl)C(=O)Nc1cc(C(F)(F)F)ccc1Cl 20479459 OZPFMGDDKXXCTI-RIYZIHGNSA-N 498.719 7.061 50 10 JKGE O=C(NNC(=O)c1ccc2nc(-c3ccccc3)c(-c3ccccc3)nc2c1)c1ccc(F)cc1 33809154 JBYNJFJEBSLKJW-UHFFFAOYSA-N 462.484 5.178 50 10 JKGE N#C/C(=C/c1ccccc1OCc1cccc2ccccc12)C(=O)Nc1ccc([N+](=O)[O-])cc1Cl 33930099 ZMKPAVDWPVQVBQ-STZFKDTASA-N 483.911 6.526 50 10 JKGE CCCCOc1cccc(C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@@H]3c2ccc(F)cc2)c1 38653012 HLEQLJMRSHGHTN-RUZDIDTESA-N 458.489 5.442 50 10 JKGE CCCOc1ccc(C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@@H]3c2cccc(OCCC)c2)cc1 38684432 BCYMLFCLZGMPSE-HHHXNRCGSA-N 484.552 5.702 50 10 JKGE Cc1ccc2cc3c(nc2c1)N(c1ccc(C(=O)NNC(=O)c2ccc(Cl)cc2Cl)cc1)CC3 39881551 QTCALPSIBSTQGU-UHFFFAOYSA-N 491.378 5.619 50 10 JKGE CCCCOc1ccccc1[C@@H]1C(C#N)=C(N)Oc2cc(OC(=O)c3ccccc3[N+](=O)[O-])ccc21 40529737 DSNMAHKJVNVMOU-VWLOTQADSA-N 485.496 5.211 50 10 JKGE CCCCCCOc1ccc(/C=C(\C#N)C(=O)Nc2ccc(OCc3ccccc3)cc2)cc1OC 40853156 OEDXDUMAYLJZRR-NCELDCMTSA-N 484.596 6.779 50 10 JKGE CCCOc1ccc(/C=C(\C#N)C(=O)Oc2ccc(C(=O)Nc3cc(Cl)ccc3Cl)cc2)cc1 40882627 IATKWLRAXDJRMS-XMHGGMMESA-N 495.362 6.547 50 10 JKGE CCOc1cc(/C=N/NC(=O)CSc2nnc(-c3ccccc3)s2)ccc1OCCC(C)C 40947778 GHYIATXTUBRZGD-MFKUBSTISA-N 484.647 5.271 50 10 JKGE CCOc1cc(/C=C(/C#N)C(=O)Nc2cccc(Cl)c2)ccc1OC(=O)c1ccc(Cl)cc1 59117107 VOKKILVXKRATAU-PDGQHHTCSA-N 481.335 6.157 50 10 JKGE C=CCc1cc(/C=N/NC(=O)c2cc3ccccc3o2)ccc1OCc1ccc(Br)cc1 59303618 OFKWHKSUMRCWNE-LQKURTRISA-N 489.369 6.267 50 10 JKGE C=CCOc1c(I)cc(/C=C(\C#N)C(=O)Nc2cccc(C)c2C)cc1OC 59474953 TZHUNFIIYGVAKY-LICLKQGHSA-N 488.325 5.027 50 10 JKGE Fc1ccc(Br)c(C[C@H](CBr)Cc2cccc(Br)c2)c1 97184854 YDRODKQFYOXDFT-GFCCVEGCSA-N 464.998 6.147 50 10 JKGE CNC(=O)/C(C#N)=C1\S[C@H](Cc2cc(Cl)cc(Cl)c2)C(=O)N1c1ccc(C(C)C)cc1 101240554 WEQFKJNHYISARP-LBMWUGKUSA-N 474.413 5.289 50 10 JKGE CCCOc1ccc(-c2nn(-c3ccccc3)cc2/C=C(/C#N)C(=O)NCc2ccco2)cc1C 102859514 NVWHBTOIXAOODL-JWGURIENSA-N 466.541 5.453 50 10 JKGE C=CCOc1ccc(-c2nn(-c3ccccc3)cc2/C=C(/C#N)C(=O)NCc2ccccc2)cc1C 102859672 YGXYUVATMPJKKP-BWAHOGKJSA-N 474.564 5.636 50 10 JKGE Fc1cccc(C[C@@H](Br)c2cc(Br)sc2Br)c1F 122224750 QZYNLXLGARXZIY-MRVPVSSYSA-N 460.963 6.230 50 10 JKGE Brc1cc([C@@H](Br)[C@@H]2CCOc3ccccc32)sc1Br 128252230 JNHQYEDFRKRNLV-RNCFNFMXSA-N 467.020 6.275 50 10 JKGE Cc1cc([C@H](Cl)c2cc(Br)sc2Br)ccc1Br 137887526 INFBXDFLJMVWKZ-NSHDSACASA-N 459.428 6.672 50 10 JKGE C[C@](CI)(OCCCC(F)(F)F)c1ccccc1Br 162518846 HKVNBLMOVNOSSS-GFCCVEGCSA-N 451.064 5.458 50 10 JKGE C=CCOc1cccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)/C=C\c4ccc(C)cc4)ccc32)c1 205658782 GOTLWMXHTQKSGR-ZNUHJYPLSA-N 464.521 5.397 50 10 JKGE CCCOc1ccc(-c2nn(-c3ccccc3)cc2/C=C2\C(=O)N(CC)C(=O)C(C#N)=C2C)cc1F 214209681 BPLQZHSFEWDWNG-HMAPJEAMSA-N 484.531 5.079 50 10 JKGE Cc1cc(I)ccc1NC(=O)/C(C#N)=C\Nc1cccc(C(F)(F)F)c1 217253694 VCYTZJLJCGZHHL-BENRWUELSA-N 471.220 5.077 50 10 JKGE COc1ccc([C@H](Br)c2ccc(Br)cc2Cl)c(OC)c1Cl 224654713 SYERRXIXOQPSGH-CYBMUJFWSA-N 454.973 6.257 50 10 JKGE CCCCCCCCCCCCCCCC(=O)NN=Cc1ccc(OC(=O)c2ccccc2C)cc1 254518570 CAGASFFZHAFYOW-UHFFFAOYSA-N 492.704 8.146 50 10 JKGE CCOc1ccc(C=NNC(=O)CSc2nnc(-c3ccc(C)cc3)n2-c2ccc(C)cc2)cc1 254896058 BIHRYLRVZNKCRU-UHFFFAOYSA-N 485.613 5.192 50 10 JKGE Brc1cc2c(cc1[C@@H](Br)c1ccc(OCc3ccccc3)cc1)OCCO2 312484156 ZELIRYLIQZKUMO-QFIPXVFZSA-N 490.191 6.284 50 10 JKGE COc1cc(Br)ccc1[C@@H]1CN(C(=O)OCc2ccccc2)C[C@@H]1CBr 382687725 GUNZBAJQEUIXNM-MAUKXSAKSA-N 483.200 5.205 50 10 JKGE C[C@@H](Cl)c1nc2cc(I)c(F)cc2n1[C@]1(C)CCN(Cc2ccccc2)C1 405974924 XBJSYOLUOIRVRO-SPLOXXLWSA-N 497.783 5.701 50 10 JKGE COCc1cc(Br)c([C@H](Br)c2ncsc2Br)s1 698689944 QPKJSUAFAWAJJP-SSDOTTSWSA-N 462.026 5.360 50 10 JKGE Fc1cc(Br)cc(CBr)c1OCc1ccccc1Br 715814859 SXHSJLFZNVSSDF-UHFFFAOYSA-N 452.943 5.825 50 10 JKGE Brc1cc([C@@H](Br)Cc2cccs2)ccc1I 721614522 PIENTTHKDSGDJF-JTQLQIEISA-N 471.983 5.794 50 10 JKGE Cc1sc(C)c([C@H](Br)c2ccc(I)c(Cl)c2)c1C 722487609 RABOZGJMHDNPAB-CQSZACIVSA-N 455.586 6.416 50 10 JKGE O=C(N[C@H](CCBr)C1CCCC1)c1ccc(Br)cc1Br 725037378 MRNRKLWGKDVKFH-CQSZACIVSA-N 468.027 5.285 50 10 JKGE CC(=NNC(=O)CN(c1ccc(C)cc1)S(=O)(=O)c1ccc(Cl)cc1)c1ccc(Cl)cc1 725383900 MZDIUDIXUGAGQK-UHFFFAOYSA-N 490.412 5.038 50 10 JKGE Cc1cc(C=NNC(=O)[C@@H](C)SCc2ccccc2)c(C)n1-c1cc(Cl)cc(Cl)c1 725403201 SLXOOBRURCBSDF-QGZVFWFLSA-N 460.430 6.173 50 10 JKGE CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(F)cc2)ccc1OCc1c(Cl)cccc1Cl 1083922581 LNRQZARGZNMMJM-SFQUDFHCSA-N 485.342 6.656 50 10 JKGE Cc1ccccc1-n1c(C)cc(C=NNC(=O)c2ccc(CSc3ccc(Cl)cc3)cc2)c1C 1084240438 CPYPPNNTUXXDAF-UHFFFAOYSA-N 488.056 7.112 50 10 JKGE N#CC1=NN(c2ccccc2)[C@H](c2ccccc2)C2=C1OC(N)=C(C#N)[C@@H]2c1ccc(Cl)cc1 1088661214 CRHMSTKONUBSTK-UKILVPOCSA-N 463.928 5.543 50 10 JKGE CC(C)(C)N(NC(=O)Nc1cc(F)ccc1F)C(=O)c1cc(C(F)(F)F)cc(C(F)(F)F)c1 1088694428 YRCBQWRPGYKWCV-UHFFFAOYSA-N 483.359 5.980 50 10 JKGE CCCCc1ccc(NC(=O)c2oc3c(c2C)C(=NNC(=O)c2ccccc2O)CCC3)cc1 1772752207 YXGNLAFXSGEOJL-UHFFFAOYSA-N 459.546 5.359 50 10 JKGE C[C@H](Oc1ccc(-c2ccccc2)cc1)C(=O)NN=Cc1cn(Cc2ccccc2)c2ccccc12 1772755445 HUKJBRXIKYPOBM-QHCPKHFHSA-N 473.576 6.274 50 10 JKGE COc1ccc(-n2nc(-c3ccccc3)c3c2OC(N)=C(C#N)[C@H]3c2c(F)cccc2Cl)cc1 1865682544 RAZKNMOBLUTXRV-NRFANRHFSA-N 472.907 5.559 50 10 JKGE CCCc1nn(Cc2ccc(Cl)c(Cl)c2)c2c1[C@H](c1ccc(C(C)C)cc1)C(C#N)=C(N)O2 1865684872 AWMWRQKPNHRICX-HSZRJFAPSA-N 481.427 6.532 50 10 JKGE CCc1nn(Cc2cc(C)ccc2C)c2c1[C@@H](c1ccc(Cl)c(Cl)c1)C(C#N)=C(N)O2 1865685108 DDPMYOJZBMJFRG-NRFANRHFSA-N 453.373 5.636 50 10 JKGE COc1ccc(-c2nn(-c3ccccc3)c3c2[C@@H](c2c(F)cccc2Cl)C(C#N)=C(N)O3)cc1 1865686663 YUMKJCYBBRBVIL-OAQYLSRUSA-N 472.907 5.559 50 10 JKGE CCCCOc1ccc([C@H]2C(C#N)=C(N)Oc3c2c(-c2ccccc2)nn3-c2ccccn2)cc1 1865690584 VYAPABRGPCTXAI-DEOSSOPVSA-N 463.541 5.331 50 10 JKGE COc1ccc(OC)c([C@H]2C(C#N)=C(N)Oc3c2c(-c2ccccc2)nn3Cc2ccc(C)cc2)c1 1865691843 CHVAIDIQMOQXFP-VWLOTQADSA-N 478.552 5.142 50 10 JKGE CCCCCOc1ccc([C@@H]2C(C#N)=C(N)Oc3c2c(CC)nn3Cc2ccccc2F)cc1OC 1865695599 FCDYOLCNXYEQLQ-RUZDIDTESA-N 490.579 5.429 50 10 JKGE CCCn1nc(-c2ccccc2)c2c1OC(N)=C(C#N)[C@@H]2c1ccc(OCc2ccc(Cl)cc2)cc1 1865696085 XHFHWRVKFGOEQY-VWLOTQADSA-N 496.998 6.411 50 10 JKGE CCCc1nn(Cc2cccc(Cl)c2)c2c1[C@H](c1ccc(OC(C)C)c(OC)c1)C(C#N)=C(N)O2 1865696401 FYCNSPZCRXQERB-XMMPIXPASA-N 493.007 5.551 50 10 JKGE CCCCOc1ccc([C@@H]2C(C#N)=C(N)Oc3c2c(CCC)nn3-c2ccccc2Cl)cc1OC 1865696579 IBJKKALUQSZGAO-XMMPIXPASA-N 493.007 5.884 50 10 JKGE CCCc1nn(CC)c2c1[C@H](c1ccc(OCc3ccc(Cl)cc3)c(OC)c1)C(C#N)=C(N)O2 1865701312 SARNLAGHJICGLY-HSZRJFAPSA-N 478.980 5.315 50 10 JKGE CC(C)Oc1ccccc1[C@H]1C(C#N)=C(N)Oc2c1c(-c1ccccc1)nn2Cc1cccc(F)c1 1865704615 AAFFFWJEYMGHQA-VWLOTQADSA-N 480.543 5.743 50 10 JKGE COc1cc(/C=C(\C#N)n2cnc3ccccc32)cc(Br)c1OCc1ccccc1 1872727393 XPGOGYKOZQNLKC-YBFXNURJSA-N 460.331 5.908 50 10 JKGE CC(C)(C)c1ccc(C(=O)NC/C(O)=C(\C#N)c2nc(-c3cccc4ccccc34)cs2)cc1 1872752459 CZKRRNALKWESRV-BZZOAKBMSA-N 467.594 6.483 50 10 JKGE CCCCCCCOc1ccc(-c2csc(/C(C#N)=C(\O)[C@@H](C)Oc3ccc(Cl)cc3)n2)cc1 1872753144 ITFNFRMATADRJI-WJHCFOETSA-N 497.060 8.073 50 10 JKGE COc1cc(C)c(-c2csc(/C(C#N)=C(\O)CCc3ccc(Cl)cc3)n2)cc1C(C)C 1872753963 WJWYNGYHEWHMED-LNVKXUELSA-N 453.007 7.329 50 10 JKGE COc1ccc(/C=C/C(O)=C(\C#N)c2nc(-c3cc(Cl)ccc3Cl)cs2)cc1OC 1872758136 MXECSQRVOLLYIJ-QIQWVROHSA-N 459.354 6.640 50 10 JKGE COc1ccc(-c2csc(/C(C#N)=C(\O)[C@H]3CC(=O)N([C@@H](C)c4ccccc4)C3)n2)c2ccccc12 1872758793 QRQCLHSSSLMYIV-BJJPQSCWSA-N 495.604 6.374 50 10 JKGE N#C/C(=C\c1ccc(OCc2ccc(Cl)cc2)cc1)c1nc(-c2ccc(Cl)cc2Cl)cs1 1872781934 XHIPFLYHGKQZGL-WOJGMQOQSA-N 497.834 8.413 50 10 JKGE N#C/C(=C(/O)CCCOc1ccc2ccccc2c1)c1nc(-c2cccc([N+](=O)[O-])c2)cs1 1873941085 VSLWTOMFOHLOCU-GYHWCHFESA-N 457.511 6.523 50 10 JKGE CCC(CC)(CBr)Cc1ccc(I)c(Br)c1 1904346489 RYZAKJLKBTUOEQ-UHFFFAOYSA-N 459.991 5.798 50 10 JKGE BrC[C@@H]1CC2(CCCC2)CN1Cc1c(Br)cccc1Br 1912783134 FOYFYJDWCZUWHD-LBPRGKRZSA-N 466.055 5.741 50 10 JKGE COc1ccc(C(=O)N(Cc2ccccc2)[C@@H](C)CCBr)cc1Br 1915080189 JKTNNCWMPYLJPR-AWEZNQCLSA-N 455.190 5.274 50 10 JKGE C[C@@H](CCBr)N(Cc1ccccc1)C(=O)c1ccc(Cl)cc1Br 1915129787 CVLQZEXNNUSETJ-ZDUSSCGKSA-N 459.609 5.918 50 10 JKGE O=C(c1ccc(F)c(Br)c1)N(Cc1ccccc1)[C@@H](CBr)C1CC1 1915313911 PRGXLZGTDSELLH-SFHVURJKSA-N 455.165 5.404 50 10 JKGE CC[C@H](C)c1ccc(S(=O)(=O)N(Cc2ccccc2)[C@@H](CBr)C(C)C)cc1 1915321791 APEFYRFJTNUAGT-AVRDEDQJSA-N 452.458 5.811 50 10 JKGE Cc1c(Br)sc([C@H](Br)[C@@H]2CC[C@@H]3CCCC[C@H]3C2)c1Br 1922882212 GOCAKYIHCYUXOX-CIQGVGRVSA-N 485.123 7.624 50 10 JKGE Cc1ccc([C@@H](Cl)c2sc(Br)c(C)c2Br)cc1Br 1922945975 MHXDDFVMCKDTNT-LLVKDONJSA-N 473.455 6.981 50 10 JKGE Fc1ccc2cc([C@@H](Cl)c3c(Br)sc(Br)c3Cl)sc2c1 1923050394 UQAKZCBPQAJOEU-SNVBAGLBSA-N 475.029 7.609 50 10 JKGE CCCC[C@@H](C)[C@@H](Br)c1c(Br)sc(Br)c1Cl 1923068180 OBSZOWSUWSLSJM-HTRCEHHLSA-N 453.465 7.189 50 10 JKGE Fc1ccc(C[C@H](Cl)c2c(Br)sc(Br)c2Br)cc1F 1924600298 POUOGQYHURUJKD-LURJTMIESA-N 495.408 6.836 50 10 JKGE CC(C)C(=O)[C@H](Br)Cc1cc(Br)c(Br)c(Br)c1 1946434096 FZIIMFVMGBMKQG-SNVBAGLBSA-N 491.843 5.505 50 10 JKGE CCN[C@H](c1c(Br)sc(Br)c1Cl)[C@H]1C[C@H]1Br 1991466504 WQAIPVDPEDMDPF-UUEMRFSQSA-N 452.437 5.361 50 10 JKGE Cl[C@H](c1c(Br)sc(Br)c1Br)[C@@H]1[C@H]2[C@H]3C[C@@H]1C[C@H]32 2016551798 HSJFDZLTBDVFQB-BPAMHFJRSA-N 461.444 6.218 50 10 JKGE Cc1cc(F)cc(C)c1[C@H](Br)c1csc(Br)c1Br 2032958628 IEMLZAKRJOTXJI-LLVKDONJSA-N 457.000 6.513 50 10 JKGE CC1(C)CN(Cc2ccccc2)CCN(c2ccc(Br)cc2CBr)C1 2033064715 QPTQXHQRVRMTEG-UHFFFAOYSA-N 466.261 5.692 50 10 JKGE Cc1sc(C)c(C[C@@H](Br)c2ccc(Br)cc2)c1Br 2050565476 GLDQDVLWBLLYAP-CYBMUJFWSA-N 453.037 6.569 50 10 JKGE Fc1cc(Cn2nc(CCl)c(I)c2C(F)(F)F)cc(C(F)(F)F)c1 2079210395 PZOZVLHXFLZZQO-UHFFFAOYSA-N 486.556 5.452 50 10 JKGE Cc1c(Br)sc([C@H](Br)[C@H]2C[C@H]2C2CCCC2)c1Br 2079394460 XNMIFHFYUOLXBV-JBLDHEPKSA-N 457.069 6.844 50 10 JKGE Brc1cccc(CN2CC[C@H]3CC[C@H](Br)[C@H]2C3)c1Br 2092328253 JPRMDNNSGGWZGJ-SCDSUCTJSA-N 452.028 5.350 50 10 JKGE BrC[C@H](Cc1cccc(Br)c1Br)C1CCCCCC1 2092335025 KCWPARCDKWAGTI-AWEZNQCLSA-N 453.056 6.736 50 10 JKGE BrC[C@@H](NCc1cccc(Br)c1Br)C1CCCCC1 2092339594 GEUCNEAYQPZFQZ-CQSZACIVSA-N 454.044 5.645 50 10 JKGE ClCc1cc(Br)ccc1OCc1cc(Br)ccc1Br 2118519537 LALHIPNUJKGNSC-UHFFFAOYSA-N 469.398 6.292 50 10 JKGE CC12CC([C@@H](Br)c3cc(Br)ccc3Br)(C1)C(C)(C)O2 2121882653 DFMSCJATARURHG-GRTSSRMGSA-N 453.012 5.995 50 10 JKGE Brc1cccc(Br)c1C[C@@H]1C[C@H](Br)CC2(CCC2)C1 2127176009 DEYDUJCHPSVSKF-RYUDHWBXSA-N 451.040 6.488 50 10 JKGE CO[C@H]1CC[C@@H](C(CBr)(CBr)c2cccc(Br)c2)C1 2130622447 QUTRSNDDNVCBFD-OCCSQVGLSA-N 455.028 5.292 50 10 JKGE Cc1cc(Cl)c(Br)cc1[C@@H](Cl)c1cccc(C)c1I 2137654244 HONFEVHDWXWTIS-AWEZNQCLSA-N 469.975 6.652 50 10 JKGE COC[C@]12C[C@]([C@H](Br)c3sc(Br)c(C)c3Br)(CO1)C2 2141162578 FQSWEEMXGKMALM-RAIGVLPGSA-N 475.040 5.213 50 10 JKGE COc1c(C)cc(Br)cc1[C@@H](Br)c1ccc(I)cc1 2141662209 VQIAKCNWPPBOBZ-AWEZNQCLSA-N 495.980 5.855 50 10 JKGE COc1ccc(Cl)cc1[C@@H](Br)c1ccc(I)c(C)c1 2142140763 MWNZJKXLEZTSII-HNNXBMFYSA-N 451.529 5.746 50 10 JKGE CC1(C)C[C@H](CBr)CN(Cc2ccc(I)c(Cl)c2)C1 2142942625 FNDAVXNVDARKOE-GFCCVEGCSA-N 456.593 5.188 50 10 JKGE Cc1cccc(C[C@H](CBr)Cc2ccc(Br)cc2)c1Br 2144191229 YWESZOQRYONJLE-CQSZACIVSA-N 461.035 6.316 50 10 JKGE COc1cc(Br)c(C)cc1[C@H](Br)c1cc(Cl)ccc1Br 2145959582 YMWZZVVVCBDGSE-OAHLLOKOSA-N 483.425 6.666 50 10 JKGE C[C@H](Cl)c1nc2cc(Br)c(Cl)cc2n1[C@]12C[C@@H]1CN(Cc1ccccc1)C2 2160060301 HMMALLOMNSOLON-KUUHDYPXSA-N 465.222 5.983 50 10 JKGE C[C@H](Cl)c1nc2cc(Br)c(Cl)cc2n1[C@H]1C[C@H](C)N(Cc2ccccc2)C1 2160082253 GWJNKBDNHVHDEV-DZKIICNBSA-N 467.238 6.588 50 10 JKGE Cc1cc(Br)c([C@@H](Cl)Cc2c(Cl)cccc2Cl)cc1Br 2161083184 HXIFPNAUHIHYMY-HNNXBMFYSA-N 457.420 7.349 50 10 JKGE COC1(C[C@H](Br)c2cc(I)cc3c2OCC3)CCCC1 2168907235 OQEDBBMVMJJQIX-AWEZNQCLSA-N 451.142 5.011 50 10 JKGE CCc1nc([C@@H](Br)c2cc3c(cc2Br)OCC3)c(Br)s1 2169489749 HKTJEMMWIPKDPI-LBPRGKRZSA-N 482.035 5.650 50 10 JKGE CC(C)(C)OC(=O)N[C@H](C[S@@](C)(=O)=NCc1ccc(CBr)cc1)C(C)(C)C 2182855328 PMQFBEAFBHTIQD-XGCWNURASA-N 461.466 5.119 50 10 JKGE Cc1cc(Br)c(C)c([C@@H](Br)[C@H]2CCCCC2(F)F)c1Br 2201069233 JNDMTEZHDVSFLC-YGRLFVJLSA-N 475.009 7.090 50 10 JKGE Cc1cc(Br)c(C)c([C@H](Br)[C@@H]2OCCOC2(C)C)c1Br 2201074494 RZMNUXKFGQCOHZ-KBPBESRZSA-N 471.027 5.458 50 10 JKGE COc1cc(F)c([C@@H](Br)c2ccc(Cl)c(Br)c2)cc1Br 2202904847 XPUUEHLWAOJMNW-AWEZNQCLSA-N 487.388 6.497 50 10 JKGE CCc1cc([C@@H](Br)c2ccc(I)c(C)c2)c(F)cc1F 2207112451 YSVYXTDPDNIPAZ-INIZCTEOSA-N 451.092 5.925 50 10 JKGE Fc1cc(F)c(F)c([C@H](Cl)c2ccc(Br)cc2I)c1F 2207276038 RVWYIZMFNUGRGR-LLVKDONJSA-N 479.436 5.938 50 10 JKGE C[C@@H]1C[C@@H](Br)C[C@H](c2sc(Br)c(Br)c2Br)C1 2212200180 KCOSNPQHIHMNKK-RRKCRQDMSA-N 495.900 6.703 50 10 JKGE BrCCCCCC#Cc1sc(Br)c(Br)c1Br 2212200603 NZADGIGPIZYEPB-UHFFFAOYSA-N 493.884 6.342 50 10 JKGE FC(F)(F)c1cnc(N(CCCBr)Cc2ccccc2)c(Br)c1 2212714968 FKFBXLRXCHMPBZ-UHFFFAOYSA-N 452.112 5.655 50 10 JKGE Cc1cc([C@H](Br)c2sc(Br)c(C)c2C)c(Br)s1 2213618680 IDIOVXCWUKHKAR-VIFPVBQESA-N 459.066 6.744 50 10 JKGE Cc1c(F)ccc([C@@H](Br)c2scc(Br)c2Br)c1F 2223277032 USQTVHMAFMHCBP-SECBINFHSA-N 460.963 6.344 50 10 JKGE CCOCc1cc(Br)c([C@@H](Br)c2scc(Cl)c2Cl)s1 2224803133 GWHQCENIRZODCQ-SECBINFHSA-N 465.059 6.900 50 10 JKGE Fc1cc(Br)c(Br)cc1[C@H](Br)CC(F)(F)C(F)(F)F 2225616222 DNBVGBQKPLQQQK-SSDOTTSWSA-N 478.850 6.374 50 10 JKGE Cc1cc(Br)c([C@H](Cl)c2cn(C)c(Br)n2)c(C)c1Br 2227354985 LPUVJSOUKJKUIT-GFCCVEGCSA-N 471.418 5.653 50 10 JKGE CCN(C[C@@](C)(CI)OC1C2CC3CC(C2)CC1C3)C(=O)OC(C)(C)C 2230448783 XSMWOZZBNYVIII-AMSLAILPSA-N 477.427 5.278 50 10 JKGE Cc1cc([C@@H](Cl)c2c(Br)cc(C)c(Br)c2C)ccc1Br 2235604561 OHJGLTBBQPOTAX-MRXNPFEDSA-N 481.453 7.228 50 10 JKGE Cc1c(Br)sc([C@@H](Br)c2cc(F)c(Br)cc2F)c1C 2267217146 CWCYPBAZXXJWFZ-NSHDSACASA-N 474.990 6.652 50 10 JKGE COc1ccc([C@H](Br)CC(C)(C)C(F)(F)F)cc1I 2269544356 LLMDFUFKDVVJNO-SECBINFHSA-N 451.064 5.714 50 10 JKGE C[C@@H]1O[C@H](C)[C@H]([C@@H](Br)Cc2cc(Br)cc(Br)c2)[C@H]1C 2277961646 WRERENKEBIGMIF-UZGCMYEVSA-N 455.028 5.577 50 10 JKGE COc1ccc([C@@H](Cl)c2c(F)cc(Br)cc2F)cc1I 2285014927 YKMUCSCPGXEPBI-CQSZACIVSA-N 473.482 5.669 50 10 JKGE Cc1cc(F)c(Br)cc1C(=O)N[C@@H](C)CCCCCI 2285842667 MVUCNFQOYXHFJT-NSHDSACASA-N 456.137 5.010 50 10 JKGE BrCC(CBr)(CCc1ccccc1)Cc1cc(Br)cs1 2286712119 AZTDBVLRJNTNBL-UHFFFAOYSA-N 481.091 6.462 50 10 JKGE Cc1cccc(NC(=O)C(C#N)=Cc2cc(C)n(-c3ccc(OCc4ccc(Cl)cc4)cc3)c2C)c1 2294171825 BPDRCLOJYJHEGV-UHFFFAOYSA-N 496.010 7.181 50 10 JKGE COc1ccc(C=C(C#N)C(=O)Nc2c(C)cc(C)cc2C)cc1COc1ccc(C#N)cc1 2295680566 BDEBYYRFCWGUTG-UHFFFAOYSA-N 451.526 5.617 50 10 JKGE CCOc1ccc(NC(=O)C(C#N)=Cc2c(Oc3ccc(CC)cc3)nc3c(C)cccn3c2=O)cc1 2296543572 NIIKRMVXBFHXID-UHFFFAOYSA-N 494.551 5.302 50 10 JKGE Cc1ccc(C)c(OCCn2cc(C=C(C#N)C(=O)Nc3ccc(F)cc3)c3ccccc32)c1 2297551864 ZXQMWLCDEICFCT-UHFFFAOYSA-N 453.517 6.022 50 10 JKGE FC1(F)CC12CC([C@H](Br)c1sc(Cl)cc1I)C2 2300956503 AOZJFQUOCHDHJN-KSHCCYOPSA-N 453.517 5.878 50 10 JKGE CSc1ccccc1[C@@H](Br)c1sc(Cl)cc1I 2301084900 YVPGNHVJTGUYQD-LLVKDONJSA-N 459.599 6.212 50 10 JKGE COc1cccc(C=C(C#N)C(=O)Nc2ccc(Cl)cc2)c1OCc1ccccc1Cl 2313631111 KZCQEVRMLQPKIR-UHFFFAOYSA-N 453.325 6.127 50 10 JKGE Cc1ccccc1NC(=O)C(C#N)=Cc1cc(Br)ccc1OCc1cccc(F)c1 2313667893 XGTATBWMXJWXCD-UHFFFAOYSA-N 465.322 6.021 50 10 JKGE N#CC(=C(O)[C@H]1Cc2ccccc2C(=O)O1)c1nc(-c2ccc(Br)cc2)cs1 2314457753 XCOTWPLIOCCRHP-GOSISDBHSA-N 453.317 5.147 50 10 JKGE N#CC(=Cc1cn(-c2ccccc2)nc1-c1ccc(Cl)cc1)c1nc(-c2cccs2)cs1 2314519295 IAKYCJLELFUSTC-UHFFFAOYSA-N 471.010 7.442 50 10 JKGE CCOc1cc(C=C2C(=O)N(Cc3ccc(F)cc3)C(=O)C(C#N)=C2C)ccc1OCC(C)C 2314620981 XSMNZMXTGCZNBA-UHFFFAOYSA-N 462.521 5.052 50 10 JKGE CCCOc1ccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)C=Cc4ccc(OC)cc4)ccc32)cc1 2314634005 ANYOMCVZMMXRIL-MUUNZHRXSA-N 482.536 5.321 50 10 JKGE CC1(C)C[C@]1(C)[C@H](Br)c1c(Cl)cc(Br)c(F)c1Br 2315457195 AJSGISHPHFBMQJ-DGCLKSJQSA-N 463.410 6.876 50 10 JKGE Fc1cc([C@H](Cl)c2sc(Cl)cc2I)c(F)cc1Br 2316771302 LCCWWOLNTXTEEL-JTQLQIEISA-N 483.930 6.375 50 10 JKGE COc1ccc(CC(=O)Oc2ccc(C=C(C#N)c3ccc(Cl)cc3)cc2OC)cc1OC 2320506984 VZRDPQRFJTVQPX-UHFFFAOYSA-N 463.917 5.578 50 10 JKGE COc1ccc(C(C#N)=Cc2cccc(OC(=O)c3ccc(C(F)(F)F)cc3)c2)cc1OC 2320510837 DPNWDJCRZHVPAH-UHFFFAOYSA-N 453.416 6.006 50 10 JKGE COc1ccc(C=C(C(=O)NNC(=O)c2ccc(-c3ccc(OC)cc3)nc2C)c2ccccc2)cc1 2321079943 KAFRKKIMIONRHN-UHFFFAOYSA-N 493.563 5.076 50 10 JKGE CC[C@@H](NC(=O)C(C#N)=CNc1ccc(I)cc1)c1ccc2c(c1)CCCC2 2325092669 KQTKNSGTAOKLIL-JOCHJYFZSA-N 485.369 5.257 50 10 JKGE CCn1c(C(C#N)=Cc2cc(Br)c(OCc3ccccc3)c(OC)c2)nc2ccccc21 2331071819 NGAMJIILCDIHQM-UHFFFAOYSA-N 488.385 6.470 50 10 JKGE COc1ccc(OCC(O)=C(C#N)c2nc(-c3cc(Cl)ccc3OC)cs2)c(C(C)(C)C)c1 2331410936 UFORNJPRWNPBRK-UHFFFAOYSA-N 485.005 6.650 50 10 JKGE CCCCOc1ccc(C=C(C#N)c2nc(-c3ccc(Cl)cc3Cl)cs2)cc1OCC 2331421705 KJKQJESCQVMBIZ-UHFFFAOYSA-N 473.425 7.759 50 10 JKGE Cc1cc(Br)c(C)c([C@@H](Br)[C@@H]2C[C@H]2C(C)(C)C)c1Br 2332925307 DUGILGGAQAFPQA-HFAKWTLXSA-N 453.056 6.947 50 10 JKGE Cc1cc([C@@H](Cl)c2c(F)cc(Cl)c(Br)c2Cl)c(Br)s1 2335356080 NCZQSYLFLUBPMW-SNVBAGLBSA-N 467.412 7.356 50 10 JKGE Clc1cc(I)c([C@H](Br)[C@H]2CCCc3ccccc32)s1 2338558905 QEGGRGCXVODHRZ-SMDDNHRTSA-N 467.597 6.562 50 10 JKGE Clc1ccc(C(CBr)(CBr)Cc2nc(Br)cs2)cc1 2342916449 VMSWVXYGTAVZOQ-UHFFFAOYSA-N 488.470 5.829 50 10 JKGE CCC[C@@H]1CN(Cc2ccc(I)c(Br)c2)C[C@@H]1CCl 2349832213 UQAXXPABGFXNRK-OLZOCXBDSA-N 456.593 5.141 50 10 JKGE Clc1ccc(I)cc1CN1[C@H]2CCC[C@H](Br)[C@H]1CC2 2352420053 FTVWPSKCCWUHJR-KCQAQPDRSA-N 454.577 5.225 50 10 JKGE Fc1cc(Cl)c(Br)c(Cl)c1[C@@H](Br)c1cccc(Cl)c1F 2360422490 HZMZDMMUOLJNTA-JTQLQIEISA-N 465.346 7.172 50 10 JKGE Fc1cc(Cl)c(Br)c(Cl)c1[C@@H](Cl)c1cccc(Cl)c1Br 2360489427 NXNFDPYTBOSTQS-LBPRGKRZSA-N 481.801 7.639 50 10 JKGE FC1(F)[C@H]2CCC[C@@H]1C[C@H]([C@@H](Br)c1sc(Cl)cc1I)C2 2364119215 KRNGQYOYDFAOAH-JXVAYASWSA-N 495.598 6.904 50 10 JKGE Cc1ccc(Br)c([C@@H](Cl)c2c(C)cc(Br)c(F)c2Br)c1 2365175024 CCHAXLWEGUDFQV-CQSZACIVSA-N 485.416 7.058 50 10 JKGE Cc1cc(Br)c(F)c(Br)c1[C@H](Cl)c1c(Cl)cccc1Cl 2365187845 FCLQGMZZCJYHNP-ZDUSSCGKSA-N 461.383 7.294 50 10 JKGE CCc1occc1[C@@H](Br)c1c(C)cc(Br)c(OC)c1Br 2365187921 FWWGMUXRORBUOG-CYBMUJFWSA-N 466.995 6.168 50 10 JKGE Clc1ccc(CN2Cc3ccc(CBr)cc3C2)c(I)c1 2366724409 KGBLFTHHIUAOJL-UHFFFAOYSA-N 462.556 5.355 50 10 JKGE COc1cccc(N/C(SCc2ccc(Cl)cc2)=C(/C#N)C(=O)NCc2ccccc2)c1 3052512 KCXYEECBHXJCSI-WJTDDFOZSA-N 463.990 5.745 50 10 JKGE CC[C@@H](C)Oc1cccc(C(=O)NNC(=O)c2ccc(NC(=O)c3ccc(C(C)(C)C)cc3)cc2)c1 10662570 YNPWAIZOFFZLJA-LJQANCHMSA-N 487.600 5.489 50 10 JKGE Cc1ccc(SCC(=O)N/N=C/c2cc(Cl)ccc2OCc2cccc3ccccc23)cc1 27520731 JEPGCLOABVWEIX-MUFRIFMGSA-N 475.013 6.623 50 10 JKGE COc1cc(/C=C(/C#N)c2ccccc2OC)ccc1OC(=O)C(c1ccccc1)c1ccccc1 31901945 QQGIVIVFWKQYHW-PLRJNAJWSA-N 475.544 6.505 50 10 JKGE COc1ccc(/C(C#N)=C\c2ccc(OC(=O)c3ccc(-n4cccc4)cc3)c(OC)c2)cc1 31902317 BRFOUUHKWSLHEG-QJOMJCCJSA-N 450.494 5.778 50 10 JKGE COc1cc(/C=C(/C#N)C(=O)Nc2ccc(Cl)cc2Cl)ccc1OCc1ccc(C(=O)O)cc1 33935111 ZUZKMYYVOSIVNG-ZDLGFXPLSA-N 497.334 5.825 50 10 JKGE N#C/C(=C/c1cc2ccccc2nc1Cl)c1nc(-c2cc3cc([N+](=O)[O-])ccc3oc2=O)cs1 35242098 ZEIDMYDYEVOQPX-PXNMLYILSA-N 486.896 6.090 50 10 JKGE N#C/C(=C\c1ccccc1OCC(=O)Nc1nccs1)c1nc(-c2ccc(Cl)cc2)cs1 35519707 WXFNHFLGFBIDNP-GZTJUZNOSA-N 478.986 6.002 50 10 JKGE Cc1ccc(N2C(=O)CS[C@@H]2c2ccc(NC(=O)[C@@H](Cl)c3ccccc3)cc2)cc1F 35928587 CUYHDVGWEYGQGE-LADGPHEKSA-N 454.954 5.831 50 10 JKGE CCCCOc1ccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4ccccc4OC)ccc32)cc1 38650753 YTAHHKUIAKPUDC-AREMUKBSSA-N 470.525 5.311 50 10 JKGE O=C(CCCc1c(-c2ccccn2)[nH]c2ccc(Cl)cc12)NNC(=O)c1ccc(Cl)cc1 39852750 VKXBAGFJGJIPBY-UHFFFAOYSA-N 467.356 5.321 50 10 JKGE N#C/C(=C\c1cn(Cc2ccccc2)nc1-c1ccccc1)C(=O)Nc1ccccc1C(F)(F)F 45295721 YCMVZRUBVJWLFO-RCCKNPSSSA-N 472.470 6.163 50 10 JKGE O=C(N/N=C/c1c(Cl)cccc1Cl)c1ccc([C@@H]2Nc3ccccc3[C@@H]3C=CC[C@H]32)cc1 59471618 ZBOGLGXFOCHCQI-GLYJMSQVSA-N 462.380 6.584 50 10 JKGE C[C@@H]1COc2ccc([C@@H](Br)c3ccc(I)cc3)cc2OC1 70511382 FOKMDMRFFCLBCI-DIFFPNOSSA-N 459.121 5.183 50 10 JKGE CCCCCCCOc1ccc(C(=O)NNC(=O)COc2ccc(Br)cc2Cl)cc1 100153766 OTYQFRGKWNSTHL-UHFFFAOYSA-N 497.817 5.292 50 10 JKGE CCCOc1ccc(-c2nn(-c3ccccc3)cc2/C=C2/C(=O)N(CCC)C(=O)C(C#N)=C2C)cc1F 101332788 FCJQIHGACVLBSV-HZHRSRAPSA-N 498.558 5.469 50 10 JKGE Cc1ccc(NC(=O)/C(C#N)=C\c2c(Oc3ccc(Cl)cc3Cl)nc3ccccn3c2=O)cc1 102848978 BWUQGJFFVWGVCF-VBKFSLOCSA-N 491.334 5.648 50 10 JKGE Cc1ccc(C)c(N/C(SCc2cccc(Cl)c2)=C(\C#N)S(=O)(=O)c2ccccc2)c1 104689455 UCQUXDKIXHPLFZ-VHXPQNKSSA-N 469.031 6.469 50 10 JKGE CCOc1ccc(Br)cc1[C@H](Br)c1cc(F)cc(Br)c1 109871562 ILDHVTVXGIIRNC-OAHLLOKOSA-N 466.970 6.234 50 10 JKGE Cl[C@H](c1cc(Br)sc1Br)c1sccc1Br 111222867 LWRCSGJXUHKXRH-SSDOTTSWSA-N 451.430 6.425 50 10 JKGE CC(C)CCC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC=C4C[C@@H](OC(=O)CCCl)CC[C@]4(C)[C@H]3CC[C@@]21C 118920353 NZCIAHIYIOJGGF-NXUCFJMCSA-N 477.173 8.569 50 10 JKGE Cc1cc(Br)c([C@H](Cl)c2ccc(Br)cc2)cc1Br 128609386 GGVHHYCSPYKLIV-CQSZACIVSA-N 453.399 6.611 50 10 JKGE CCOc1ccc([C@H](Br)c2ccc(C)c(Br)c2)c(Br)c1 130492012 UZCRJEBCKMJESV-MRXNPFEDSA-N 463.007 6.403 50 10 JKGE Clc1cc(Br)ccc1CC(CBr)(CBr)C1CCCC1 168969905 NNUQGPYALWTTGQ-UHFFFAOYSA-N 473.474 6.611 50 10 JKGE C[C@@H](O[Si](C)(C)C)[C@H]1CC[C@H]2[C@@H]3CC[C@H]4C[C@@H](O[Si](C)(C)C)CC[C@]4(C)[C@H]3CC[C@]12C 195753109 PSZRAFDARWUCMW-QCYZZNICSA-N 464.883 8.105 50 10 JKGE Cl[C@H](c1csc(I)c1)c1cc(Br)cc2c1OCC2 228440283 ZBSOGPZUHGHSHF-GFCCVEGCSA-N 455.542 5.378 50 10 JKGE Cc1cc(Br)c([C@@H](Br)c2ccc(Cl)cc2Br)s1 235812600 NFTYSSBVCGGDNC-NSHDSACASA-N 459.428 6.719 50 10 JKGE Cc1ccc(C)c(C[C@@H](Br)c2cc(I)ccc2Br)c1 235881806 KKUNKMXGYULCGV-MRXNPFEDSA-N 494.008 6.349 50 10 JKGE Clc1cnccc1C[C@@H](Cl)c1cc(I)ccc1Br 236032812 AUXFURNASYCGHV-GFCCVEGCSA-N 456.936 5.625 50 10 JKGE Clc1cnccc1C[C@@H](Br)c1cc(Br)cc(Br)c1 236036148 JUDKCYJEMUFGFB-GFCCVEGCSA-N 454.387 5.939 50 10 JKGE CCCC[C@H](CC)CN(C(=O)CCl)[C@H](C(=O)N[C@H]1CCCC[C@H]1C)c1ccc(Cl)cc1 252586071 NGFWIFRHMBNPQN-OQZHBAMCSA-N 469.497 6.360 50 10 JKGE CC(C)c1ccc(OCC(=O)NN=Cc2c(OCc3ccc(F)cc3)ccc3ccccc23)cc1 254623938 LWYUTAWCNNVNIB-UHFFFAOYSA-N 470.544 6.210 50 10 JKGE CN(C)c1ccc(C=NNC(=O)CN2CCn3c4c(c5cc(C6CCCCC6)ccc53)CCC[C@@H]42)cc1 254628417 XXFLRZUYQOCOCH-LJAQVGFWSA-N 497.687 5.598 50 10 JKGE C[C@@]1(CBr)[C@H]2CC[C@@]1(CBr)c1nc3ccc(C(F)(F)F)cc3nc12 256024812 BGGGBCALDBQMAV-AMKSKSKJSA-N 464.123 5.574 50 10 JKGE C[C@@H](Cl)c1nc2cc(F)c(Br)cc2n1C[C@H]1CCN(Cc2ccccc2)C1 312246425 DPQPSDFYXGRDPH-ZBFHGGJFSA-N 450.783 5.760 50 10 JKGE Cc1cccc2c1nc(CCl)n2-c1ccc(Br)c(I)c1 312680911 ZKYOXLSWXFGWED-UHFFFAOYSA-N 461.528 5.440 50 10 JKGE Fc1cc([C@H](Br)c2sccc2I)c(F)cc1Br 379766961 KCEUEFXBBPJXFV-JTQLQIEISA-N 493.936 5.878 50 10 JKGE ClCCc1nc2cc(I)ccc2n1[C@@H]1CCCN(Cc2ccccc2)C1 386988156 DEWBXEIPGIZSKO-GOSISDBHSA-N 479.793 5.259 50 10 JKGE C[C@@H]1CC[C@H](C(C)(C)Cc2cc(Cl)ccc2I)[C@@H](Br)C1 405238268 ZVUKWZKOWMXRMS-UGFHNGPFSA-N 469.632 6.713 50 10 JKGE COCc1cc(Br)c([C@@H](Br)c2cc(Br)ccc2C)s1 688146326 OSCSKTCCHUBUPX-ZDUSSCGKSA-N 469.036 6.212 50 10 JKGE COCc1cc(Br)c([C@H](Br)c2ccc(F)c(Br)c2)s1 688149535 XIZPHERXYIHIAF-GFCCVEGCSA-N 472.999 6.043 50 10 JKGE Fc1cc(Br)ccc1[C@@H](Br)c1ccc(F)c(Br)c1F 691638015 XILQZNVXBMNROY-LLVKDONJSA-N 458.897 6.113 50 10 JKGE FC(F)(F)C(F)(F)C[C@H](Br)c1cc(Br)sc1Br 713276877 SOLOHXLNMIAJRT-BYPYZUCNSA-N 466.889 6.297 50 10 JKGE C[C@H](Cl)c1nc2cc(I)ccc2n1[C@H]1CN(Cc2ccccc2)CC[C@H]1C 716301742 RCPCWKRAMXTWRT-XFQAVAEZSA-N 493.820 6.024 50 10 JKGE O=C([C@H](c1cccs1)N(C(=O)CCl)c1cccc(C(F)(F)F)c1)N1CCc2ccccc2C1 725237798 NCMPEHUPHYZRRT-QFIPXVFZSA-N 492.950 5.665 50 10 JKGE COC(=O)[C@]12CC[C@@H](C)[C@H](C)[C@H]1C1=CC[C@@H]3[C@@]4(C)C(C#N)=C[C@@](C)(CO)[C@@H]4CC[C@@]3(C)[C@]1(C)CC2 888105687 XQZFHBAKHHYYCA-SKJUQBBDSA-N 479.705 6.459 50 10 JKGE COc1ccccc1NC(=O)c1oc2c(c1C)C(=NNC(=O)c1ccccc1Br)CCC2 1772743830 JVDQLMKLHCVJLY-UHFFFAOYSA-N 496.361 5.082 50 10 JKGE Cc1cc(C)cc(OC(=O)c2oc3c(c2C)C(=NNC(=O)c2ccc(Cl)cc2)CCC3)c1 1772744490 YHQKVQOJQXNGOG-UHFFFAOYSA-N 450.922 5.548 50 10 JKGE CCOc1ccc2ccccc2c1C=NNC(=O)COc1c(C)cc(Br)cc1C 1772753640 XQZTVMBWYMHYMU-UHFFFAOYSA-N 455.352 5.147 50 10 JKGE N#CC1=C(N)Oc2c(c(-c3ccccc3)nn2Cc2cccc(F)c2)[C@@H]1c1ccc(Cl)cc1 1865683170 HQPBDDPJNPQRRL-JOCHJYFZSA-N 456.908 5.609 50 10 JKGE CCCCOc1ccc([C@@H]2C(C#N)=C(N)Oc3c2c(C)nn3Cc2ccccc2Cl)cc1OCC 1865686914 FDWSWPDSZPALPE-RUZDIDTESA-N 493.007 5.689 50 10 JKGE CCCCOc1ccc([C@@H]2C(C#N)=C(N)Oc3c2c(C(F)(F)F)nn3Cc2cccc(F)c2)cc1 1865690527 UBAFIBMOKKUJOA-HXUWFJFHSA-N 486.469 5.486 50 10 JKGE CCCOc1ccc([C@@H]2C(C#N)=C(N)Oc3c2c(CC)nn3Cc2ccc(C)cc2)cc1OCC 1865691274 OFBZIVCHNUQURU-RUZDIDTESA-N 472.589 5.208 50 10 JKGE CCc1nn(-c2ccccc2)c2c1[C@H](c1ccc(OCc3ccc(C)cc3)cc1)C(C#N)=C(N)O2 1865694515 YQYINGHBCZTBAR-AREMUKBSSA-N 462.553 5.540 50 10 JKGE CCc1nn(-c2ccccc2Cl)c2c1[C@H](c1ccc(OC(C)C)c(OC)c1)C(C#N)=C(N)O2 1865697682 ZGSPKHDOMCCCPF-JOCHJYFZSA-N 464.953 5.102 50 10 JKGE Cn1cc([C@@H]2C(C#N)=C(N)Oc3c2c(-c2ccccc2)nn3Cc2cccc(F)c2)c2ccccc21 1865699587 XPVNPSABNJSNBJ-VWLOTQADSA-N 475.527 5.447 50 10 JKGE CCCc1nn(-c2ccc(Cl)c(Cl)c2)c2c1[C@H](c1cccc(OC)c1OC)C(C#N)=C(N)O2 1865700763 CYNPRNZUKVQODO-HXUWFJFHSA-N 485.371 5.367 50 10 JKGE Cc1ccc(-n2nc(C(F)(F)F)c3c2OC(N)=C(C#N)[C@H]3c2cc(Br)ccc2F)cc1 1865702556 WSXRSAJFQSEKEP-MRXNPFEDSA-N 493.258 5.319 50 10 JKGE CCOc1ccc(/C=N\NC(=O)c2ccc(-c3ccc(Cl)cc3Cl)nc2C)cc1OC 1865760877 TXOWNLDEZFESBK-ZMFRSBBQSA-N 458.345 5.535 50 10 JKGE CSCC[C@H](NC(=O)C[C@H](c1ccc(C)cc1)C(C)C)C(=O)Nc1ccc(SC#N)cc1 1866747356 YFSKVNCNMSDIMB-GOTSBHOMSA-N 469.676 5.575 50 10 JKGE CC[C@@](C)(NC(=O)C[C@@H](CC(C)C)c1ccc(F)cc1)C(=O)Nc1ccc(SC#N)cc1 1867105451 VVBIOZKOTCUXSP-KBMIEXCESA-N 455.599 5.842 50 10 JKGE CC(C)(NC(=O)C[C@H](c1ccccc1)c1ccc(F)c(F)c1)C(=O)Nc1ccc(SC#N)cc1 1867122793 MQDLQGDPDWFPLP-OAQYLSRUSA-N 479.552 5.593 50 10 JKGE CCc1nc(Nc2ccc(SC#N)cc2)cc(N2CC[C@@H](O)C[C@H]2c2ccc(OC)c(OC)c2)n1 1868277581 BKJYWZJYWNCJNX-CTNGQTDRSA-N 491.617 5.075 50 10 JKGE Cc1nc(C2CCN(c3cc(Nc4ccc(SC#N)cc4)nc(-c4ccccc4)n3)CC2)sc1C 1868365158 MJDWIPRBOJCQRE-UHFFFAOYSA-N 498.681 6.918 50 10 JKGE CCCc1nc(Nc2ccc(SC#N)cc2)cc(N2CCN3CCc4c(F)cccc4[C@H]3C2)n1 1868387785 ABKGMJFORRIYOX-HSZRJFAPSA-N 474.609 5.304 50 10 JKGE COc1cc2nc(/C(C#N)=C/c3cc(OC)c(OCc4ccccc4)c(OC)c3)nc(O)c2cc1OC 1872727599 MXHGCKFQRJWXRG-VXLYETTFSA-N 499.523 5.013 50 10 JKGE CCOc1ccc(-c2csc(/C(C#N)=C(\O)c3ccc4c(c3)C(=O)N([C@@H](C)CC)C4=O)n2)cc1 1872747600 LAFLUFBEPFMFCY-MBSKJGAKSA-N 473.554 5.553 50 10 JKGE CC(C)(C)c1ccc(-c2csc(/C(C#N)=C(\O)Cc3ccc(OCc4ccccc4)cc3)n2)cc1 1872751144 SWOJEYNNQYYKRF-SGEDCAFJSA-N 480.633 7.722 50 10 JKGE CC[C@H](C)[C@@H](/C(O)=C(\C#N)c1nc(-c2ccc(OC)c(F)c2)cs1)N1C(=O)c2ccccc2C1=O 1872752854 WGLNAOGSFWGGIC-MAEFBQRMSA-N 491.544 5.461 50 10 JKGE COc1ccc(-c2csc(/C(C#N)=C(O)/C=C/c3ccc(Cl)cc3Cl)n2)c(C)c1C 1872753835 PDCOUSITRKTRHX-URLMENASSA-N 457.382 7.248 50 10 JKGE COc1c(Cl)cc(Cl)cc1-c1csc(/C(C#N)=C(\O)[C@H](C)Oc2ccc(C(C)C)cc2)n1 1872754297 LTLSSRMFFBYCQM-RPIBDXEDSA-N 489.424 7.509 50 10 JKGE CCCc1ccc(OC/C(O)=C(\C#N)c2nc(-c3cc(OCC)ccc3OCC)cs2)cc1 1872754664 CYVXQDVYSRXMSX-GYHWCHFESA-N 464.587 6.432 50 10 JKGE CCc1ccc(OCCC/C(O)=C(\C#N)c2nc(-c3cc(C)c(Cl)cc3OC)cs2)cc1 1872757084 PVPHHGQJZIQKSO-ATJXCDBQSA-N 469.006 6.995 50 10 JKGE CCOc1ccc(/C=C(\C#N)c2nc(-c3ccc(Oc4ccccc4)cc3)cs2)cc1OCC 1872793149 KTWHDNBKFAHRDM-CJLVFECKSA-N 468.578 7.464 50 10 JKGE CCCCCCCCCOc1ccc(/C=N/NC(=O)[C@@H]2CCCN2C(=O)OC(C)(C)C)c(Cl)c1 1873794941 KGUQOMUHJNQXJF-FLZWBEAESA-N 494.076 6.319 50 10 JKGE Cc1ccccc1COc1ccccc1/C=N/NC(=O)[C@H](Cc1ccccc1)NC(=O)OC(C)(C)C 1873795317 XGPIDPXHMIQLCP-NEDSSLFVSA-N 487.600 5.160 50 10 JKGE Cc1cc([C@H](Cl)c2sc(Cl)cc2I)sc1Br 1901025751 JNUPJVXZNGCPTI-QMMMGPOBSA-N 468.006 6.467 50 10 JKGE BrCc1ccc(N(Cc2ccccc2)Cc2cccs2)cc1Br 1914881103 VSCWDVRCILOINJ-UHFFFAOYSA-N 451.227 6.612 50 10 JKGE CC(C)[C@@H](CBr)N(Cc1ccccc1)c1ncc(Br)cc1Br 1915302033 XBEWHAXICACRSB-MRXNPFEDSA-N 491.065 6.033 50 10 JKGE O=C(c1cccc(Br)c1Br)N1[C@H]2CCC[C@H]1CC(Br)C2 1922809302 XOQSXWWIPJSYKW-QWRGUYRKSA-N 466.011 5.132 50 10 JKGE Cl[C@@H](c1cccc(I)c1)c1sc(Br)cc1Br 1922933560 XHNUIXKEKWUAJO-JTQLQIEISA-N 492.401 6.206 50 10 JKGE Brc1cc(Br)c([C@@H](Br)C(C2CCC2)C2CCC2)s1 1922946042 MYAGBOIUMORZHE-ZDUSSCGKSA-N 457.069 6.926 50 10 JKGE Clc1c(Br)sc(Br)c1[C@@H](Br)[C@H]1CCCC2(CC2)C1 1923037811 FVXVSFKPVLNZMK-CBAPKCEASA-N 477.487 7.333 50 10 JKGE CC(C)(C1CC1)[C@@H](Br)c1c(Br)sc(Br)c1Cl 1923065402 BRHQSPXJLWYXGR-QMMMGPOBSA-N 451.449 6.799 50 10 JKGE C[C@H](c1ccncc1Br)[C@@H](Br)c1ccc(F)cc1Br 1924041648 WEGMJLXZBFIAFG-XLKFXECMSA-N 451.959 5.985 50 10 JKGE Cl[C@@H](CC[C@@H]1CCCO1)c1c(Br)sc(Br)c1Br 1924583141 GLDMGNLYVNIBJW-BQBZGAKWSA-N 467.448 6.275 50 10 JKGE CN(CCN(CCCCCc1nc(CCl)cs1)Cc1ccccc1)Cc1ccccc1 1946825142 YUWHJJIALGPVKP-UHFFFAOYSA-N 456.099 6.229 50 10 JKGE CCN(c1ccc(CBr)cc1Br)C1CCN(Cc2ccccc2)CC1 2027091611 JZJQCCOYGXJDKK-UHFFFAOYSA-N 466.261 5.835 50 10 JKGE CCOc1ccc(Br)cc1[C@@H](Br)c1sncc1Br 2028524099 IVLBNASWJMYMQZ-LLVKDONJSA-N 455.997 5.551 50 10 JKGE Brc1cc([C@@H](Br)c2ccc(C3CC3)cc2)sc1Br 2036362805 OTBAYIDWDIICBR-ZDUSSCGKSA-N 451.021 6.635 50 10 JKGE C[C@]1([C@@H](Br)c2c(Br)sc(Br)c2Cl)C[C@@H]1C(F)(F)F 2039184034 BEFMKQGJWRMDJW-PVBTVSRDSA-N 491.392 6.951 50 10 JKGE COc1ccc(C)c([C@@H](Br)c2cc(Br)sc2Br)c1 2047192810 BUGOKOPWLICUJH-GFCCVEGCSA-N 455.009 6.074 50 10 JKGE Cn1nc([C@H](Br)c2ccc(F)c(Br)c2)c(Br)c1Cl 2048152476 VWAHYGAISNAQSD-MRVPVSSYSA-N 461.354 5.222 50 10 JKGE CCO[C@@H]1CC[C@@H]([C@@H](Br)c2c(Br)sc(Br)c2Cl)C1 2054494609 DICQWUSTVMVIPD-ZXFLCMHBSA-N 481.475 6.568 50 10 JKGE CCn1cc(Br)c([C@@H](Br)c2sc(C)c(Br)c2C)n1 2060855151 CZDCWVREQGXQOF-SNVBAGLBSA-N 457.029 5.591 50 10 JKGE Fc1cccc(CBr)c1OCc1cccc(Br)c1Br 2092331939 ZQTZLYKLSFKJSV-UHFFFAOYSA-N 452.943 5.825 50 10 JKGE BrCc1c(Br)cccc1N1CCC[C@]2(CCN(Cc3ccccc3)C2)C1 2107015033 MWCKBEXAULJILY-JOCHJYFZSA-N 478.272 5.837 50 10 JKGE COc1ccc([C@H](Br)c2c(Cl)sc(Br)c2Cl)c(Cl)c1 2109670772 VZKSVLWUQACKMJ-VIFPVBQESA-N 465.421 6.964 50 10 JKGE Clc1cc(Br)cc(CC[C@@H](Br)c2cccc(Br)c2)c1 2113451001 YXRWJXHLYFWAMS-OAHLLOKOSA-N 467.426 6.934 50 10 JKGE Clc1ccccc1[C@H](Br)CCc1c(Br)cccc1Br 2113491805 UFQLKTUSKGZXLO-CQSZACIVSA-N 467.426 6.934 50 10 JKGE Cc1c(Br)ccc([C@H](Br)C[C@H](C)CC(C)(C)C)c1Br 2138854661 UOFCREBXZJOZLN-IINYFYTJSA-N 455.072 7.418 50 10 JKGE Cl[C@H](c1ccc(CC2CC2)s1)c1ccc(Br)cc1I 2142276776 HWDZQHIWWVWKCT-HNNXBMFYSA-N 467.597 6.396 50 10 JKGE Cl[C@@H](c1cc(Br)cc(Br)c1)c1cc(Br)c2c(c1)CCO2 2146620564 LMIWPNRKQILRAH-CQSZACIVSA-N 481.409 6.237 50 10 JKGE ClCc1nc2cc(I)ccc2n1C1CC2(CC(OCc3ccccc3)C2)C1 2160237467 ITGARFRTMZOKIW-UHFFFAOYSA-N 492.788 6.080 50 10 JKGE CCCOc1ccc([C@H](Br)c2nc(C)sc2Br)cc1Br 2169493860 BXLYIHZCVQNSJO-LBPRGKRZSA-N 484.051 6.250 50 10 JKGE COc1cc(Br)c([C@H](Cl)c2cc(Br)c(Cl)s2)cc1OC 2172569460 NGGZVCUENURPIS-LBPRGKRZSA-N 461.002 6.272 50 10 JKGE Brc1ccc(Br)c(C[C@@H]2CCCCCCCC[C@H]2Br)c1 2175145453 UPFBJIWIBGFFJE-XJKSGUPXSA-N 467.083 7.268 50 10 JKGE CCC[C@H](Br)c1cn(-c2cc(OC)c(Br)cc2Br)nn1 2177556841 ALRVOLAFGHGOPX-QMMMGPOBSA-N 467.987 5.037 50 10 JKGE C[C@H](N(Cc1ccccc1)S(=O)(=O)c1ccc(F)c(CBr)c1F)C(C)(C)C 2179859936 KYLQFFYNZRBGQU-AWEZNQCLSA-N 460.384 5.485 50 10 JKGE Cn1nc([C@@H](Cl)c2c(Br)cc(F)c(Cl)c2F)c(Br)c1Cl 2201608209 LTEXXBNATYTWKD-QMMMGPOBSA-N 469.338 5.858 50 10 JKGE C[C@H](CBr)N(Cc1ccccc1)C(=O)Cc1ccc(Br)cc1Cl 2211871046 JPJOBRQLCFWXJB-CYBMUJFWSA-N 459.609 5.457 50 10 JKGE FC(F)(F)[C@@H]1CC[C@@H]1[C@H](Br)c1cc(Br)sc1Br 2212879761 RMXUAEPWCYPPPI-SJIRYBADSA-N 456.947 6.298 50 10 JKGE CC1(C)CC(C)(COC2(CI)CCN(C(=O)OC(C)(C)C)CC2)C1 2215316806 ODBITZXKDQIOAC-UHFFFAOYSA-N 451.389 5.034 50 10 JKGE Clc1cc(Br)ccc1C[C@@H](Br)c1ncsc1Br 2215855134 YMTSLZNQESLWQY-MRVPVSSYSA-N 460.416 6.000 50 10 JKGE Cc1sc([C@@H](Br)c2cc(Br)c(Cl)s2)c(Br)c1C 2215944159 LCBIRFZWDFGBBA-VIFPVBQESA-N 479.484 7.089 50 10 JKGE FC(F)C(F)(F)[C@@H](Br)c1c(Br)cc(Cl)c(Cl)c1Cl 2217616814 ADJLXPBMIZORGR-ZETCQYMHSA-N 453.282 6.746 50 10 JKGE COc1csc([C@@H](Br)c2cc(Br)c(Br)cc2F)c1 2218595917 BVFBCBWXWYEHLC-LBPRGKRZSA-N 458.972 5.905 50 10 JKGE C[C@@]1([C@H](Br)c2c(Br)cc(Cl)c(Cl)c2Cl)CCCCO1 2224309429 BHZNJNMCMXRCTN-OLZOCXBDSA-N 451.413 6.805 50 10 JKGE Cc1cc(Br)c([C@@H](Br)CCOCC(F)F)c(C)c1Br 2227353068 RPEABHPYZNVEET-VIFPVBQESA-N 464.970 5.936 50 10 JKGE Cc1cc(Br)c([C@H](Br)[C@@H]2OCCO[C@@H]2C)c(C)c1Br 2227362853 RDIZMHGXFMXGQC-BIGNPOOSSA-N 457.000 5.068 50 10 JKGE Cc1cc(Br)c([C@@H](Cl)Cc2ccccc2I)c(C)c1Cl 2232508816 HJFWKGNRLPIQLK-ZDUSSCGKSA-N 484.002 6.847 50 10 JKGE COc1cccc([C@H](Br)c2c(Br)cc(Cl)c(Cl)c2Cl)c1 2232513659 RKSHRQJKELDTJV-LBPRGKRZSA-N 459.392 6.902 50 10 JKGE Clc1ccc(I)c(CN2CC[C@@H]3[C@@H](Br)CCC[C@H]3C2)c1 2233841748 DFICFYIVGAYRFG-CQDKDKBSSA-N 468.604 5.330 50 10 JKGE COc1cc(Br)c([C@H](Cl)c2cccc(C)c2I)cc1C 2236013841 UJWDMIIATCRBLQ-OAHLLOKOSA-N 465.556 6.007 50 10 JKGE Brc1cc([C@@H](Br)c2ccc(C3CCC3)s2)sc1Br 2259352154 QOYQHRCGTVLRHT-LBPRGKRZSA-N 471.077 7.086 50 10 JKGE Clc1cccc(C[C@@H](Br)c2ccc(Br)cc2)c1Br 2259399311 ZLXWAPUBYZNNFK-GFCCVEGCSA-N 453.399 6.544 50 10 JKGE Fc1cc(C[C@H](Br)c2sc(Br)cc2Br)ccc1Cl 2263456225 JKEMYISBBGTPJY-ZETCQYMHSA-N 477.418 6.744 50 10 JKGE CCCCc1ccc([C@@H](Cl)c2ccc(Br)cc2I)s1 2264368229 GHJGMEIDLOLGCG-HNNXBMFYSA-N 469.613 6.786 50 10 JKGE COc1c([C@@H](Br)c2cscc2OCc2ccccc2)cc(Br)c(C)c1C 2269163164 ZMOBWVPKIITOTC-HXUWFJFHSA-N 496.264 7.199 50 10 JKGE C[C@@H](C[C@H](Br)c1c(F)cc(Br)c(F)c1Br)C(C)(C)C 2272737896 GDWQIYOKONIKFJ-YUMQZZPRSA-N 462.998 6.998 50 10 JKGE COc1c(Br)cc(Cl)c(C)c1[C@@H](Br)c1ccc(Br)s1 2277890541 WEYGXRQPESRIRU-LBPRGKRZSA-N 489.454 6.728 50 10 JKGE Clc1cc(Br)c([C@H](Br)[C@]23CCCC[C@H]2CC3)c(Cl)c1Cl 2288970883 JOSSSTYMYLCMGJ-QXRSLXQMSA-N 461.452 7.816 50 10 JKGE Cc1c(Cl)cccc1NC(=O)C(C#N)=Cc1cc(Br)c(I)o1 2293264716 LYPQGZSRUKOQER-UHFFFAOYSA-N 491.510 5.154 50 10 JKGE O=C(Cl)C=Cc1cc(Cl)c(OCc2ccc(Br)cc2)c(Br)c1 2293941144 KEKFDRFZBVDDLJ-UHFFFAOYSA-N 464.968 6.223 50 10 JKGE Clc1ccc(Br)cc1CO[C@@H](CBr)c1ccccc1Br 2295172707 AEJCQEWDQBBZBB-HNNXBMFYSA-N 483.425 6.518 50 10 JKGE Brc1cc(Br)cc(C[C@H](Br)[C@@H]2CCCCC23CCC3)c1 2295331023 CYBIBFCZOLQBQV-HOTGVXAUSA-N 465.067 6.878 50 10 JKGE COc1cc(F)cc([C@@H](Br)Cc2cc(Br)cc(Br)c2)c1 2295334500 XIHNSTPFEBELLS-HNNXBMFYSA-N 466.970 6.038 50 10 JKGE COc1c(Br)cc([C@@H](Br)c2cc(Br)cs2)c(OC)c1C 2295436716 FZZMALWSFCBYOC-GFCCVEGCSA-N 485.035 6.083 50 10 JKGE COc1cccc(C[C@H]2SC(=C(C#N)C(=O)Nc3ccc(C)cc3)N(c3ccccc3C)C2=O)c1 2296056347 GGBHRDMAZDDSCR-RUZDIDTESA-N 483.593 5.377 50 10 JKGE CCOC(=O)c1c(-c2ccc(C)cc2)csc1NC(=O)C(C#N)=Cc1ccccc1OC(C)C 2296819054 OYMVUMJIYACSOP-UHFFFAOYSA-N 474.582 6.233 50 10 JKGE COc1c(Cl)cc(Cl)cc1C=C(C#N)c1nc(-c2ccc(Cl)cc2Cl)cs1 2297321190 WFDLFGYKYXOGCT-UHFFFAOYSA-N 456.181 7.496 50 10 JKGE Cc1ccc(OCCCOc2ccc(C=C(C#N)C(=O)Nc3nc4ccccc4s3)cc2)cc1 2297500360 LOHBXDOHFXUORW-UHFFFAOYSA-N 469.566 5.998 50 10 JKGE Brc1cc([C@@H](Br)[C@@H]2C[C@H]2C2CCOCC2)c(Br)s1 2311503071 MEPVTLLRNAPMJT-SBMIAAHKSA-N 459.041 5.772 50 10 JKGE Cc1cccc(Cn2cc(C=C(C#N)C(=O)Nc3sc4c(c3C#N)CCCC4)c3ccccc32)c1 2313630589 OTDLUJMOYUOQDO-UHFFFAOYSA-N 476.605 6.356 50 10 JKGE Brc1cc(OCc2ccccc2)ccc1[C@H](Br)[C@H]1CC[C@H]2C[C@H]1CO2 2314455656 QINLIDPZAJDSIU-ROWPZFDLSA-N 466.213 6.279 50 10 JKGE Brc1cc(OCc2ccccc2)ccc1[C@@H](Br)C1C[C@@H]2CC[C@H](C1)O2 2314499535 DIMRADRQLCFGER-NZZOTNDHSA-N 466.213 6.422 50 10 JKGE CCOC(=O)c1c(NC(=O)C(C#N)=Cc2ccc(-c3cccc(F)c3)o2)sc2c1CC[C@H](C)C2 2314571968 PPASEOGMQLNHPY-HNNXBMFYSA-N 478.545 5.994 50 10 JKGE CCOC(=O)c1c(NC(=O)C(C#N)=Cc2ccc(-c3ccc(Cl)cc3)o2)sc2c1CC[C@@H](C)C2 2314571972 PPTRUFMIIOOJJE-OAHLLOKOSA-N 495.000 6.509 50 10 JKGE CC1=C(C#N)C(=O)N([C@H](C)c2ccccc2)C(=O)C1=CNc1ccccc1C(=O)c1ccccc1 2314585518 BGOOJUSXDMUKEY-HXUWFJFHSA-N 461.521 5.183 50 10 JKGE Cc1sc(Br)c(C)c1[C@H](Cl)c1c(Br)c(Br)nn1C 2316732827 ZZQZNMCJGHLGHL-QMMMGPOBSA-N 477.447 5.714 50 10 JKGE COc1cc(C=C(C#N)c2nc3ccc(C)cc3[nH]2)cc([N+](=O)[O-])c1OCc1ccc(C)cc1 2318418207 TWYVRCQWLQETJX-UHFFFAOYSA-N 454.486 5.740 50 10 JKGE O=C(NN=Cc1ccc(Br)cc1)c1ccc2nc(-c3ccccc3Cl)[nH]c2c1 2323743819 AANXCMSWJIRVCC-UHFFFAOYSA-N 453.727 5.410 50 10 JKGE Fc1cc([C@H](Br)c2cc(Cl)c(Br)s2)c(Cl)cc1Cl 2326684963 HWNPUBKVAOEEJG-JTQLQIEISA-N 453.385 7.094 50 10 JKGE CCOC(=O)c1cc(-c2ccccc2)sc1NC(=O)C(C#N)=Cc1ccc(OC)c(OC)c1 2329703151 HULIPFKVJMHLAZ-UHFFFAOYSA-N 462.527 5.155 50 10 JKGE N#CC(=C(O)[C@@H](Cc1ccccc1)N1C(=O)c2ccccc2C1=O)c1nc(-c2ccc(F)cc2)cs1 2331344267 AZWJJZUIGNIIKK-XMMPIXPASA-N 495.535 5.649 50 10 JKGE CCCCCCCOc1ccc(-c2csc(C(C#N)=C(O)c3c(OC)cccc3OC)n2)cc1 2331344872 UYHPWDIDPKHQTQ-UHFFFAOYSA-N 478.614 7.126 50 10 JKGE CC(C)(C)N1C(=O)c2ccc(C(O)=C(C#N)c3nc(-c4c[nH]c5ccccc45)cs3)cc2C1=O 2331346598 DSOXMCPWLYKUPH-UHFFFAOYSA-N 468.538 5.636 50 10 JKGE CCOc1ccc(-c2csc(C(C#N)=C(O)C=Cc3cc(OC)ccc3OC)n2)c(OCC)c1 2331388993 DMGGQFWNILZCKY-UHFFFAOYSA-N 478.570 6.131 50 10 JKGE COc1cc(Cl)c(C)cc1-c1csc(C(C#N)=C(O)Cc2ccc(NC(C)=O)cc2)n1 2331389198 DGKJORAPGGFFHI-UHFFFAOYSA-N 453.951 5.774 50 10 JKGE Cc1cc(C)c(-c2csc(C(C#N)=C(O)CCCOc3ccc(C(C)(C)C)cc3)n2)c(C)c1 2331394031 VKFSDNJOGRKEBK-UHFFFAOYSA-N 460.643 7.685 50 10 JKGE Cc1cc(C)c(-c2csc(C(C#N)=C(O)c3ccccc3I)n2)c(C)c1 2331394614 CXVYVGBFXZBHPG-UHFFFAOYSA-N 472.351 6.290 50 10 JKGE CCOc1ccc(C=C(C#N)c2nc(-c3ccc(Oc4ccccc4)cc3)cs2)cc1OCC 2331464403 KTWHDNBKFAHRDM-UHFFFAOYSA-N 468.578 7.464 50 10 JKGE COc1c(C)cc(Cl)cc1-c1csc(C(C#N)=Cc2cc(Br)ccc2F)n1 2331474614 WDONIPGZVHYHPN-UHFFFAOYSA-N 463.759 6.746 50 10 JKGE COc1cc(Br)cc(C=C(C#N)c2nc(-c3c(C)cc(C)cc3C)cs2)c1O 2331478626 QBXNMBUZTNFULW-UHFFFAOYSA-N 455.377 6.276 50 10 JKGE Brc1ccc(OCc2ccccc2)c([C@H](Br)[C@@H]2Cc3ccccc3O2)c1 2336048739 WYDFXSDPCCNKRN-VXKWHMMOSA-N 474.192 6.468 50 10 JKGE Brc1ccc(OCc2ccccc2)c([C@@H](Br)c2cc3ncccc3s2)c1 2336055895 DOMHJSWFKHTDHD-OAQYLSRUSA-N 489.232 7.122 50 10 JKGE CCN(C[C@](C)(CBr)OCc1ccc(Cl)c(Cl)c1C)C(=O)OC(C)(C)C 2339518126 WCUJVNLNFZVSRI-IBGZPJMESA-N 469.247 6.229 50 10 JKGE CC(C)(CBr)[C@@H]1CCCN1Cc1cc(I)ccc1Cl 2352419702 JEKCWTISHYGYAK-AWEZNQCLSA-N 456.593 5.330 50 10 JKGE Fc1ccccc1[C@H](CBr)Cc1cc(I)ccc1Cl 2352428949 AUHFEPHKTGIZON-NSHDSACASA-N 453.520 5.805 50 10 JKGE Fc1cc(Br)c(F)c(Br)c1[C@H](Br)[C@H]1CC[C@@H]2[C@H]1C2(F)F 2359722098 QMZWLQYYAVXJQN-FBFBHZLOSA-N 480.919 6.217 50 10 JKGE Brc1cc(OCc2ccccc2)ccc1[C@H](Br)[C@@H]1C[C@H]2CCCCCC[C@H]21 2361200414 JJJHYAAFOUCHMI-YWWGLXIYSA-N 492.295 8.071 50 10 JKGE Brc1cc(OCc2ccccc2)ccc1[C@H](Br)[C@@H]1CCc2ccccc2C1 2361201925 WZIWRUFHGUZOIC-HYBUGGRVSA-N 486.247 7.269 50 10 JKGE Cc1cc(Br)c(F)c(Br)c1[C@H](Br)C12CC(C[C@@H](C)O1)C2 2368040334 SMYWSPWHEGSBPO-MXOUVYRLSA-N 471.002 6.053 50 10 JKGE C[C@H](c1cccs1)N(Cc1ccccc1)c1nc(C(F)(F)F)ccc1CBr 2369845068 NSMCZRKKTRLAQG-CQSZACIVSA-N 455.343 6.825 50 10 JKGE C/C(=N\NC(=O)COc1ccc2cc(Br)ccc2c1Br)c1cccs1 12491537 FMHXMJHIGQUBEA-SRZZPIQSSA-N 482.197 5.346 50 10 JKGE C/C(CCc1ccccc1)=N/NC(=O)CN(c1ccc(C(C)C)cc1)S(=O)(=O)c1ccccc1 19948703 MGHRYEUCOFLSQA-SLMZUGIISA-N 477.630 5.130 50 10 JKGE O=C(COc1ccc(Cl)cc1)N/N=C/c1cccc(OCc2cccc(Br)c2)c1 20436884 CDEUAJBGODKTGA-DHRITJCHSA-N 473.754 5.211 50 10 JKGE CCSc1sc(CC)cc1[C@@H]1C(C#N)=C(N)N(c2cc([N+](=O)[O-])ccc2C)C2=C1C(=O)CCC2 27550584 XXRGEYRWTXFUQM-JOCHJYFZSA-N 494.642 5.944 50 10 JKGE CCCOc1ccc(/C=C/C(=O)Oc2ccc(/C=C(/C#N)c3ccc(Cl)cc3)cc2OC)cc1 33745781 WFCFCVWDWSCINX-FUMJRJOHSA-N 473.956 6.820 50 10 JKGE C/C(=N/NC(=O)c1ccc(CN2C(=O)c3cccc4cccc2c34)cc1)c1ccc(-n2ccnc2)cc1 33777234 CIZAPUHPQXDCRX-RGXNXFOYSA-N 485.547 5.340 50 10 JKGE N#C/C(=C/c1cn(-c2ccccc2)nc1-c1cc2ccccc2o1)C(=O)Nc1ccc(Cl)cc1 34846951 ALEFMMLOFULAPT-RGEXLXHISA-N 464.912 6.485 50 10 JKGE COc1cc(/C=C(/C#N)c2nc(-c3ccc(F)cc3)cs2)ccc1OCC(=O)Nc1ccccc1 35519947 TXHQVNFHYRUHQG-MOSHPQCFSA-N 485.540 6.039 50 10 JKGE C[C@H](Oc1ccccc1F)C(=O)Oc1ccc2c(c1)OC(N)=C(C#N)[C@@H]2c1ccc(C(C)(C)C)cc1 38649795 WRQVRGLAPOFLMP-MRDQGFSESA-N 486.543 5.714 50 10 JKGE CCCOc1ccccc1[C@H]1C(C#N)=C(N)Oc2cc(OC(=O)c3ccccc3OCC)ccc21 38681829 CWKPETFVTFLGBT-AREMUKBSSA-N 470.525 5.311 50 10 JKGE Cc1c(C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@@H]3c2ccccc2Cl)oc2ccc(Cl)cc12 38687629 CVEOMYVJTAZCGX-HSZRJFAPSA-N 491.330 6.485 50 10 JKGE O=C(NNc1ncnc(Nc2cc(Cl)cc(Cl)c2)c1[N+](=O)[O-])c1ccc(Cl)cc1Cl 40588071 YJBXZNQXJFOWRP-UHFFFAOYSA-N 488.118 5.499 50 10 JKGE Cc1ccc2nc(Nc3ncnc(NNC(=O)c4ccc(Cl)cc4Cl)c3[N+](=O)[O-])sc2c1 40650516 ZCUGGCRBOIRHTJ-UHFFFAOYSA-N 490.332 5.110 50 10 JKGE Cc1c(C(=O)N(C)c2ccccc2)oc2c1/C(=N/NC(=O)c1ccccc1Br)CCC2 40812904 OSDBLNAPCTUZDW-LGUFXXKBSA-N 480.362 5.098 50 10 JKGE Cc1cc(Br)ccc1-c1ccc(/C=C(\C#N)C(=O)Nc2ccc(Br)cc2)o1 58832788 GSBVNQWWQZDAQH-SDNWHVSQSA-N 486.163 6.326 50 10 JKGE COc1cccc(/C=C(/C#N)C(=O)Nc2cccc(Cl)c2)c1OCc1ccc(Cl)c(Cl)c1 59117123 PFVYRQKWNDNIFY-BOPFTXTBSA-N 487.770 6.780 50 10 JKGE N#C/C(=C/c1ccc(Br)cc1)c1nc(-c2ccc3sc4ccccc4c3c2)cs1 84594591 QJPONZVZUWQEMQ-BOPFTXTBSA-N 473.420 8.005 50 10 JKGE N#C/C(=C/c1cccc(OCc2ccc(Cl)c(Cl)c2)c1)C(=O)NCc1ccc2c(c1)OCO2 96438831 BPMVJWWUEWZFJB-UWVJOHFNSA-N 481.335 5.524 50 10 JKGE Cc1cc(-n2c(CCCl)nc3cc(I)ccc32)ccc1Br 97353975 GGJJAARNBQSBEO-UHFFFAOYSA-N 475.555 5.482 50 10 JKGE CC1=C(C#N)C(=O)N(CC(C)C)C(=O)/C1=C/c1cn(-c2ccccc2)nc1-c1ccc2ccccc2c1 101334642 CZBAGWONWXYJTP-JVWAILMASA-N 486.575 5.941 50 10 JKGE C=CCOc1ccc(-c2nn(-c3ccccc3)cc2/C=C(/C#N)S(=O)(=O)c2ccccc2)cc1 102859210 OGQUUTKIISDEJF-ITYLOYPMSA-N 467.550 5.442 50 10 JKGE BrCC(CBr)(CCOc1ccc(Br)cc1)c1ccccc1 118876546 KWVOHLPHIFXVFV-UHFFFAOYSA-N 477.034 5.946 50 10 JKGE CCOc1ccc([C@@H](Br)c2cc(Br)ccc2F)c(Br)c1 123768553 ZLCWHFMMQLWGOV-OAHLLOKOSA-N 466.970 6.234 50 10 JKGE Fc1ccccc1C(CBr)(CBr)Cc1cccc(F)c1Br 157925443 JJFHJOUJEIOUKR-UHFFFAOYSA-N 482.988 5.998 50 10 JKGE CCOc1ccc(Br)cc1[C@@H](Br)c1cc(C)ccc1Br 161762614 PLPDCQHHCOCEGG-INIZCTEOSA-N 463.007 6.403 50 10 JKGE CCCCOc1cc(/C=C(/C#N)C(=O)Nc2sc3c(c2C(=O)OCC)CC[C@H](C)C3)ccc1OC 209405506 IFRLTRXNQWBZJE-FJSNCCPHSA-N 496.629 5.783 50 10 JKGE CCCCCCN1C(=O)C(C#N)=C(C)/C(=C/c2ccc(OCCCCC)c(OCC)c2)C1=O 214245566 WBQXTALUUBNRRS-XLNRJJMWSA-N 452.595 5.827 50 10 JKGE CCCCCCCCOc1ccc(/C=C2\C(=O)N([C@H](C)CC)C(=O)C(C#N)=C2C)cc1OC 214268003 GINMTCLIUQVUJZ-OSEFQUDUSA-N 452.595 5.825 50 10 JKGE Cc1cc(Br)c([C@@H](Br)c2c(F)ccc(C)c2F)cc1Br 214865342 WOJKKGLCYRBFKK-CQSZACIVSA-N 468.961 6.591 50 10 JKGE Cc1cccc(N2CCN(/C=C(/C#N)C(=O)Nc3ccccc3Sc3ccccc3)CC2)c1 217243877 YGNCKZJVGCHDNY-XDOYNYLZSA-N 454.599 5.314 50 10 JKGE Cc1cc(I)ccc1NC(=O)/C(C#N)=C\Nc1ccccc1C(C)(C)C 217254164 SLGCPHJLLBCMMB-SQFISAMPSA-N 459.331 5.355 50 10 JKGE Brc1cc2c(c([C@H](Br)c3ccccc3I)c1)OCC2 228443119 CWJZPTZIMLWVOL-CQSZACIVSA-N 493.964 5.473 50 10 JKGE O=C(Nc1ccc(CCBr)cc1)c1cc(Cl)ccc1I 236067453 MKVCVLADRVMULM-UHFFFAOYSA-N 464.528 5.134 50 10 JKGE O=C(CNc1cccc(C(F)(F)F)c1)NN=Cc1ccc(-c2ccccc2Br)o1 254405647 YIXAPBDLTBSJLJ-UHFFFAOYSA-N 466.257 5.290 50 10 JKGE CCn1c2ccccc2c2cc(C=NNC(=O)c3cc(-c4ccc5ccccc5c4)n[nH]3)ccc21 254765039 RWDOSYNEISTNPZ-UHFFFAOYSA-N 457.537 6.122 50 10 JKGE Cc1cccc(C(=O)Oc2ccc3ccccc3c2C=NNC(=O)COc2ccc(C(C)C)cc2)c1 254874263 IHKUHBVWWWTJEJ-UHFFFAOYSA-N 480.564 6.020 50 10 JKGE CC(C)(C)OC(=O)N1CCC(CBr)(OCc2cccc(Br)c2)CC1 303741221 KDCSJPFSBQHPBE-UHFFFAOYSA-N 463.210 5.130 50 10 JKGE CC1(C)CN(c2cc(Br)ccc2CBr)CCN1Cc1ccccc1 382653235 DMNPCLFZBNUQSP-UHFFFAOYSA-N 452.234 5.445 50 10 JKGE Cc1ccc(CCOc2c(Br)cc(CBr)cc2Br)nc1 399721123 LQULXSMNBBSAGU-UHFFFAOYSA-N 463.995 5.431 50 10 JKGE O=C(c1cc(Br)ccc1Br)N1CCC(CCCBr)CC1 401091126 XYLFGFKQOFVFIR-UHFFFAOYSA-N 468.027 5.239 50 10 JKGE 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 503903108 AAEWZCYGFQHOQA-DGCAZEFISA-N 477.173 8.855 50 10 JKGE Cl[C@@H](c1ccccc1I)c1cc(Br)cc2c1OCCC2 688409907 DIPVTRCYGHPMGQ-HNNXBMFYSA-N 463.540 5.707 50 10 JKGE BrCC(CBr)(CC[C@H]1CCCCO1)c1ccccc1Br 699669698 NKWCRZHVKKZRHQ-CYBMUJFWSA-N 469.055 5.826 50 10 JKGE BrCc1ccc(N2CC[C@@H]3[C@@H](CCCN3Cc3ccccc3)C2)cc1Br 715016592 WGGVRVMPNRQKPQ-SIKLNZKXSA-N 478.272 5.835 50 10 JKGE CN(C)c1ccc(C=NNC(=O)c2ccc(CSCc3ccccc3)cc2)cc1Br 1083890386 BTZAXAZVDJXJNP-UHFFFAOYSA-N 482.447 5.712 50 10 JKGE CCCCCCCCCCOc1ccc(C(=O)NN=Cc2ccc(N3CCCCCC3)o2)cc1 1084032201 ZQMUDCZBEXISPU-UHFFFAOYSA-N 467.654 6.943 50 10 JKGE O=C(NN=Cc1c(Oc2ccc(C(F)(F)F)cc2[N+](=O)[O-])ccc2ccccc12)c1cccc(F)c1 1084115591 CGYRELZCJAQMCQ-UHFFFAOYSA-N 497.404 6.462 50 10 JKGE CCOc1cnc(C(=O)NN=Cc2c(OCc3cccc(Br)c3)ccc3ccccc23)o1 1084130565 BRIFUAXKFUBBMM-UHFFFAOYSA-N 494.345 5.332 50 10 JKGE Cc1c(Br)c(C=NNC(=O)[C@@H](C)Sc2ccccc2)c(C)n1-c1ccccc1 1084142648 SPHGHHVNHOFNEZ-QGZVFWFLSA-N 456.409 5.488 50 10 JKGE N#C/C(=C\c1ccc(OCc2ccc(Cl)c(Cl)c2)cc1)C(=O)NCCc1c[nH]c2ccccc12 1084492082 PAJMCQGUYRHUCX-FYJGNVAPSA-N 490.390 6.320 50 10 JKGE CCOC(=O)COc1c(Cl)cc(/C=C(\C#N)C(=O)Nc2cccc(Cl)c2Cl)cc1OCC 1084600661 ZNMPDJPVPYDISA-RIYZIHGNSA-N 497.762 5.533 50 10 JKGE Cc1ccc(NC(=O)/C(C#N)=C/c2cc(Cl)c(OCc3cccc(F)c3)c(Br)c2)cc1 1084627945 CZKOQSCXAMWUDK-GIJQJNRQSA-N 499.767 6.675 50 10 JKGE COc1ccc(NC(=O)/C(C#N)=C\c2cc(Br)ccc2OCc2cccc(F)c2)cc1 1084656421 IOFBBRXIPDOMJR-PDGQHHTCSA-N 481.321 5.721 50 10 JKGE COc1ccc(/C(C#N)=C/c2ccc(OC(=O)/C=C/c3ccc([N+](=O)[O-])cc3)cc2)cc1OC 1615099323 COPWSCXMJBRJCJ-UZOMKDOTSA-N 456.454 5.295 50 10 JKGE Cc1ccc(C)c(NC(=O)c2oc3c(c2C)C(=NNC(=O)c2cncc(Br)c2)CCC3)c1 1772746102 BUSFTVMJGXEREF-UHFFFAOYSA-N 495.377 5.085 50 10 JKGE N#CSc1ccc(NC(=O)Oc2ccc(CNC(=O)CCC(=O)c3ccccc3)cc2)cc1 1858907208 PDAOQXWQFZDKNI-UHFFFAOYSA-N 459.527 5.150 50 10 JKGE N#CC1=C(N)Oc2c(c(-c3ccccc3)nn2Cc2ccccc2)[C@@H]1c1c(F)cccc1Cl 1865682178 IAIBUFDYFGWIMR-NRFANRHFSA-N 456.908 5.609 50 10 JKGE COc1ccc(-c2nn(-c3ccc(C)cc3)c3c2[C@H](c2ccccc2Cl)C(C#N)=C(N)O3)cc1 1865685491 JQVKRWPHAUFFDH-HSZRJFAPSA-N 468.944 5.728 50 10 JKGE CCc1nn(-c2ccccc2)c2c1[C@H](c1ccc(OCc3ccccc3)c(OC)c1)C(C#N)=C(N)O2 1865686986 GUSAEMURBNDUBF-AREMUKBSSA-N 478.552 5.240 50 10 JKGE C=CCOc1ccccc1[C@H]1C(C#N)=C(N)Oc2c1c(C)nn2-c1ccc(Cl)c(Cl)c1 1865691282 OLVQFQNOFUEBPY-NRFANRHFSA-N 453.329 5.271 50 10 JKGE CCCn1nc(C(F)(F)F)c2c1OC(N)=C(C#N)[C@H]2c1ccc(OCc2ccccc2)c(OCC)c1 1865693913 MQAHDSWXCZSJDX-OAQYLSRUSA-N 498.505 5.508 50 10 JKGE N#CC1=C(N)Oc2c(c(-c3ccccc3)nn2Cc2ccccc2Cl)[C@@H]1c1ccc2c(c1)OCCO2 1865697937 GJOVDUYDMYBSAT-XMMPIXPASA-N 496.954 5.241 50 10 JKGE COc1ccc(/C=C(\C#N)S(=O)(=O)c2ccccc2)cc1OCc1ccc(Cl)c(Cl)c1 1872727374 VWTNRWHCVRAGAV-YBFXNURJSA-N 474.365 5.919 50 10 JKGE CC[C@H](C)[C@H](/C(O)=C(\C#N)c1nc(-c2ccc(F)cc2)cs1)N1C(=O)c2ccccc2C1=O 1872753186 LFBBLLMJLNCFND-RRICSCRSSA-N 461.518 5.453 50 10 JKGE CCCCCCCOc1ccc(-c2csc(/C(C#N)=C(\O)c3c(OC)cccc3OC)n2)cc1 1872753390 UYHPWDIDPKHQTQ-QLYXXIJNSA-N 478.614 7.126 50 10 JKGE Cc1ccc(-c2csc(/C(C#N)=C(\O)c3ccccc3I)n2)cc1C 1872755352 JGJXOAOHDKQAON-MNDPQUGUSA-N 458.324 5.981 50 10 JKGE COc1ccc(-c2csc(/C(C#N)=C/c3cccc(OCc4ccccc4)c3)n2)c(C)c1C 1872792751 PNSJXONVIIMYBN-OEAKJJBVSA-N 452.579 7.079 50 10 JKGE CC(C)[C@H](NC(=O)OC(C)(C)C)C(=O)N/N=C/c1c(OCc2ccc(F)cc2)ccc2ccccc12 1873795532 OTTQARVIHQQQSK-QUCVJYLXSA-N 493.579 5.557 50 10 JKGE CC[C@@H](Cl)CN(Cc1ccccc1)c1ncc(C(F)(F)F)cc1I 1915087697 ZJTKOGXBJSYWEW-CQSZACIVSA-N 468.688 5.729 50 10 JKGE COc1ccc([C@H](Br)c2cc(C)c(Br)o2)c(OC)c1Br 1917612504 MSEARBFYPAIDBR-NSHDSACASA-N 468.967 5.615 50 10 JKGE Cc1cc2c(nc([C@@H](C)Cl)n2CC2(N(Cc3ccccc3)Cc3ccccc3)COC2)c(C)n1 1921387110 AWQRQTDPBORQFV-OAQYLSRUSA-N 475.036 5.819 50 10 JKGE Brc1cc(Br)c([C@@H](Br)c2ccsc2Br)s1 1922889194 VJHSZXGQRPPDRQ-ZETCQYMHSA-N 495.881 6.581 50 10 JKGE Cc1c(Br)sc([C@H](Br)[C@H]2C(F)(F)C23CCC3)c1Br 1922932061 IMBVUUCOSFYCNP-IONNQARKSA-N 464.995 6.453 50 10 JKGE Clc1c(Br)sc(Br)c1[C@H](Br)CC(C1CC1)C1CC1 1923050148 QUSYZAXBGRCBLU-SECBINFHSA-N 477.487 7.189 50 10 JKGE Clc1c(Br)sc(Br)c1[C@@H](Br)[C@H]1CCCCO1 1923067973 LDAKPIGPZAIJPR-VDTYLAMSSA-N 453.421 5.932 50 10 JKGE C[C@@H](C1CCCCC1)[C@H](Cl)c1c(Br)sc(Br)c1Br 1924568671 JZZUYQRWLBSELS-CPCISQLKSA-N 479.503 7.532 50 10 JKGE CC(C)(C)[C@H](Br)c1c(Br)sc(Br)c1Br 1924575442 AFGGIACNWJEQPZ-ZCFIWIBFSA-N 469.862 6.518 50 10 JKGE O=C(N[C@H](CBr)CC1CCCC1)c1cc(Br)sc1Br 1926746918 UIFKAIDDELVISH-VIFPVBQESA-N 474.056 5.347 50 10 JKGE C[C@@H]1C[C@H](N(C)c2ccc(CBr)c(Br)c2)CN1Cc1ccccc1 1949205790 VXNNIGOGBAMXAY-BEFAXECRSA-N 452.234 5.443 50 10 JKGE CCc1sc(Br)cc1[C@H](Br)c1cc(C)sc1Br 1951016843 UXRXZSCOEOPMGO-NSHDSACASA-N 459.066 6.690 50 10 JKGE O=C(N[C@H]1CCCCC[C@@H]1Br)c1csc(Br)c1Br 2032953065 BSMBGDAVFPMIIH-IUCAKERBSA-N 460.029 5.099 50 10 JKGE O=C(c1csc(Br)c1Br)N1CCCC[C@@H]1CCBr 2032953243 FWBQVBPUBWCVNV-MRVPVSSYSA-N 460.029 5.053 50 10 JKGE Brc1cccc(Br)c1[C@H](Br)c1ccc(C2CC2)s1 2033091914 WYCKHLMZLAIJGH-CQSZACIVSA-N 451.021 6.635 50 10 JKGE Clc1c(Br)ccc(CBr)c1Oc1cccc(OCc2ccccc2)c1 2036841965 IBPDWDIUFLMGFV-UHFFFAOYSA-N 482.599 7.369 50 10 JKGE Cc1csc([C@H](Br)c2cc(Br)c(Cl)cc2F)c1Br 2039333158 XNIREAAAPCKVER-LLVKDONJSA-N 477.418 6.858 50 10 JKGE Cc1c(Br)sc([C@@H](Br)[C@H]2CC3(CCC3)CO2)c1Br 2047662987 HYYSQXRDLYJXSH-SCZZXKLOSA-N 459.041 5.977 50 10 JKGE Cc1cc(Cl)c([C@H](Br)c2ccc(I)cc2)cc1Cl 2081590234 UPTWIDUASAMBNX-CQSZACIVSA-N 455.948 6.391 50 10 JKGE FC1(F)CCN(Cc2ccc(Br)cc2Br)C[C@@H]1CBr 2092267185 OTLKNKNYDGPOHK-JTQLQIEISA-N 461.970 5.064 50 10 JKGE Clc1ccc(OCc2cccc(Br)c2Br)c(CBr)c1 2092331804 XZIBCRSOBQNXDC-UHFFFAOYSA-N 469.398 6.339 50 10 JKGE Cc1cc(Br)ccc1[C@H](Br)c1cc(C2CC2)c(Br)s1 2094673745 OGJLRCSRJHPKCB-AWEZNQCLSA-N 465.048 6.943 50 10 JKGE O=C(c1scc(Br)c1Br)N1CC2(CC[C@H]1CBr)CC2 2097880104 AGNIXZHECGTHDT-QMMMGPOBSA-N 472.040 5.053 50 10 JKGE BrCC12CCC(CC1)N(Cc1ccc(Br)cc1Br)C2 2122359611 MXCLJPJMDXCKRG-UHFFFAOYSA-N 452.028 5.351 50 10 JKGE COC[C@@H]1CC[C@H](Cc2cccc(Br)c2Br)C[C@@H]1Br 2127210052 JYVRJHQVFUSLNF-OSMZGAPFSA-N 455.028 5.580 50 10 JKGE Cc1cc(Br)c(C)c([C@H](Br)[C@H]2C[C@@H]2CC(C)C)c1Br 2136384890 VMWLBLMFRDSDSV-MQIPJXDCSA-N 453.056 6.947 50 10 JKGE Brc1ccc([C@@H](Br)c2cc3c(s2)CCSC3)c(Br)c1 2138850435 HKAAJCAALCHDGK-CQSZACIVSA-N 483.088 6.547 50 10 JKGE Brc1ccc([C@H](Br)c2cc3c(s2)CCOC3)c(Br)c1 2138863606 MQDQVIOUFSELAL-AWEZNQCLSA-N 467.020 5.830 50 10 JKGE COc1c(C)cc(Br)cc1[C@H](Cl)c1ccc(I)cc1 2141640964 XYSZJLDEDBKHQD-CQSZACIVSA-N 451.529 5.699 50 10 JKGE C[C@]1(C(F)(F)F)C[C@@]1(CBr)Cc1ccc(I)c(Cl)c1 2142940614 OTEBCRJCVUPOFX-NWDGAFQWSA-N 467.494 5.841 50 10 JKGE Fc1cc(Br)c([C@@H](Cl)Cc2ccccc2I)c(F)c1F 2143868845 SLVXLLDSMAMCKJ-VIFPVBQESA-N 475.473 5.994 50 10 JKGE ClCc1nc2cncc(Br)c2n1-c1ccc(Cl)cc1I 2151791311 WHQBPEIRQYEFMT-UHFFFAOYSA-N 482.934 5.180 50 10 JKGE C[C@H]1CCO[C@@H]1CCC(CBr)(CBr)c1ccccc1Br 2157326961 QUQLYPBUIIWIOL-SWLSCSKDSA-N 469.055 5.682 50 10 JKGE CC[C@H]1CN(C(=O)OCc2ccccc2)[C@H](CC)CN1CCCCCCCCCBr 2162988591 QKWZKZPEBBGZMV-BJKOFHAPSA-N 481.519 6.624 50 10 JKGE Cl[C@@H](Cc1ccc2c(c1)CCO2)c1cc(I)ccc1Br 2168653021 LECKKJHPPSYXPL-HNNXBMFYSA-N 463.540 5.511 50 10 JKGE FC1(F)CN(Cc2ccccc2)CCCCN(c2nc(CCl)ccc2Br)C1 2177051160 VCHVIUAFBJCPEO-UHFFFAOYSA-N 458.778 5.321 50 10 JKGE CC(C)(C)[C@H](Cl)CCc1sc(Br)c(Br)c1Br 2212199700 FOOLHFUQYGIJAZ-SSDOTTSWSA-N 453.465 6.622 50 10 JKGE Cc1c(Br)sc([C@H](Br)c2cccc(OCc3ccccc3)c2)c1C 2213626086 ARKPJRBMSNHQND-GOSISDBHSA-N 466.238 7.191 50 10 JKGE Cc1cc(Br)c([C@H](Br)c2ccc(Br)s2)c(C)c1Cl 2217614428 XPXXPBOVUJXALW-GFCCVEGCSA-N 473.455 7.028 50 10 JKGE Cc1cc(Br)c([C@H](Br)c2cc(Br)oc2C)c(C)c1Cl 2224303029 RGBFNUSTCXQKBW-CYBMUJFWSA-N 471.414 6.868 50 10 JKGE Cc1cc(Br)c([C@@H](Br)c2nn(C)cc2Br)c(C)c1Cl 2224303447 XEVAYSLJELBZSK-LLVKDONJSA-N 471.418 5.700 50 10 JKGE CCC[C@@H](C(C)C)[C@H](Br)c1c(Br)cc(Cl)c(Cl)c1Cl 2224316847 IDSTUSHAGPRKNL-UFBFGSQYSA-N 451.457 7.918 50 10 JKGE Cc1cc(C)cc([C@H](Br)c2cc(Br)c(Br)cc2F)c1 2225616847 RDNOCWVUGSTULQ-HNNXBMFYSA-N 450.971 6.452 50 10 JKGE Cc1cc(C)c([C@@H](Br)c2c(Br)cc(C)c(Br)c2C)s1 2227362172 LDZXKLHQJWMHKR-AWEZNQCLSA-N 467.064 6.991 50 10 JKGE Cc1cc(Br)c([C@@H](Br)c2c(Br)cc(F)c(Cl)c2F)s1 2229302119 UXVJCEIJGZOAGR-VIFPVBQESA-N 495.408 6.997 50 10 JKGE COc1ccc([C@H](Cl)c2cc(C)ccc2I)cc1Br 2232222025 FZWSFVCOFAJKAN-HNNXBMFYSA-N 451.529 5.699 50 10 JKGE CO[C@@H]1CCC[C@H]([C@@H](Br)c2c(Br)cc(Cl)c(Cl)c2Cl)C1 2232509990 KQROGBIIFXXOLA-JOAULVNJSA-N 465.440 7.051 50 10 JKGE C[C@H](Cl)c1nc2cc(Br)c(F)cc2n1C[C@@H]1CC1(Br)Br 2233042530 XAEKOTNCPGKXLD-BQBZGAKWSA-N 489.408 5.744 50 10 JKGE CC1([C@H](Br)c2c(Br)cc(Cl)c(Cl)c2Cl)CC2(CCC2)C1 2236520773 RIMDZDJZLVVZBR-CYBMUJFWSA-N 461.452 7.816 50 10 JKGE Brc1cccc([C@@H](Br)c2ccc([C@H]3CCOC3)s2)c1Br 2240434998 VOAUTFWHEYOQON-BJOHPYRUSA-N 481.047 6.261 50 10 JKGE Fc1cc([C@H](Br)c2cc(Br)c(Cl)s2)c(Cl)cc1Br 2255969419 INKKKNJPSAKISZ-JTQLQIEISA-N 497.836 7.203 50 10 JKGE COc1c([C@@H](Cl)c2c(Br)sc(Br)c2Cl)csc1Cl 2256857056 RZNQJMYEUFVHCE-RXMQYKEDSA-N 471.450 6.978 50 10 JKGE CC(F)(F)[C@@H]1C[C@H]1[C@@H](Br)c1c(F)cc(Br)c(F)c1Br 2272842781 QRMPWCDMXBSMSO-UDJQAZALSA-N 468.908 6.217 50 10 JKGE Cc1cccc(Oc2cc(Br)cc(F)c2CBr)c1I 2277889997 RZRKPEKHVJOMAJ-UHFFFAOYSA-N 499.943 6.188 50 10 JKGE COc1cc(F)c(Br)cc1[C@@H](Br)c1cccc(Cl)c1Br 2283187231 FPWNPKCFWYAUOP-ZDUSSCGKSA-N 487.388 6.497 50 10 JKGE COc1ccc([C@@H](Br)c2cccc(Br)c2Br)c(C)c1C 2284594278 KUTFDEYRXCMBBJ-OAHLLOKOSA-N 463.007 6.321 50 10 JKGE COc1ccc([C@H](Br)c2ccc(OC)c(I)c2)cc1Cl 2284997944 OXWQNEYTRLFFCP-HNNXBMFYSA-N 467.528 5.446 50 10 JKGE Fc1cc(Br)cc(F)c1CO[C@H]1CCCCCC[C@H]1I 2287166676 ALIIZRRXUYKIPZ-CABCVRRESA-N 459.112 5.770 50 10 JKGE CC(C)(C)OC(=O)NC[C@H]1CN(CCCCCCCBr)CC[C@H]1C(F)(F)F 2294698137 GLUFEDHODFYNGY-JKSUJKDBSA-N 459.391 5.357 50 10 JKGE Brc1cc(Br)cc(C[C@@H](Br)C[C@H]2CCCCC23CC3)c1 2295335493 LBGVOIBYANLCPE-ZIAGYGMSSA-N 465.067 6.878 50 10 JKGE CC(C)(C)CC(C)(C)NC(=O)C(C#N)=Cc1cn(Cc2ccc(Cl)cc2)nc1-c1ccccc1 2295669874 DBQKJLMRQSTLJR-UHFFFAOYSA-N 475.036 6.490 50 10 JKGE N#CC(=Cc1ccc([N+](=O)[O-])cc1)C(=O)N1N=C2C(=Cc3ccccc3)CCC[C@H]2[C@H]1c1ccccc1 2297021091 MYIRVKFXDUJNEP-XRKRLSELSA-N 488.547 6.325 50 10 JKGE Cc1cccc(C2(c3cccc(C)c3)C[C@@H]2C(=O)NN=Cc2ccccc2OCc2ccccc2)c1 2297507233 AZFFWTVODCIYSO-GDLZYMKVSA-N 474.604 6.339 50 10 JKGE N#CC(=CNc1cc(C(F)(F)F)cc(C(F)(F)F)c1)S(=O)(=O)c1ccc(Cl)cc1 2297564162 CWGNUWDVBOIFML-UHFFFAOYSA-N 454.779 5.628 50 10 JKGE Brc1cc(OCc2ccccc2)ccc1[C@H](Br)[C@@]12CC[C@@H](CO1)C2 2299535678 RNAADRYWVRIBCX-XPGWFJOJSA-N 452.186 6.033 50 10 JKGE Cc1c(Cl)sc(Cl)c1[C@@H](Br)c1scc(Br)c1Br 2299543292 SCDUQBITOZPUKQ-SSDOTTSWSA-N 499.902 7.434 50 10 JKGE CC1(C)COC[C@H]1[C@@H](Br)c1cc(Br)ccc1OCc1ccccc1 2299627269 PCISTAQMUBWZBD-HKUYNNGSSA-N 454.202 6.137 50 10 JKGE Cc1c([C@H](Cl)c2sc(Cl)cc2I)c(Br)nn1C 2300998135 OWHZUQNWOQVCOR-QMMMGPOBSA-N 465.969 5.139 50 10 JKGE Clc1c(Br)sc(Br)c1[C@H](Br)[C@@H]1O[C@H]2CC[C@H]1C2 2307421861 YNFNZXAPOGLYMM-CBKRZXNCSA-N 465.432 5.930 50 10 JKGE N#CC(=Cc1cn(Cc2cccc([N+](=O)[O-])c2)c2ccccc12)C(=O)NCCc1c[nH]c2ccccc12 2313556874 NLSFUXQEEBVFOW-UHFFFAOYSA-N 489.535 5.345 50 10 JKGE Cc1ccc(NC(=O)C(C#N)=Cc2cc(Cl)c(OCc3ccccc3Cl)c(Cl)c2)cc1 2313567646 JPGMXSMLTUVMKT-UHFFFAOYSA-N 471.771 7.080 50 10 JKGE Cc1ccc(COc2ccc(C=C(C#N)C(=O)Nc3sc4c(c3C#N)CCCC4)cc2)cc1 2313630524 MZPJNLIBYXSNKM-UHFFFAOYSA-N 453.567 5.932 50 10 JKGE N#CC(=Cc1cc(Cl)ccc1OCc1ccc(Cl)cc1Cl)C(=O)NCc1ccccc1 2313637908 OFVVKJWILHIDOC-UHFFFAOYSA-N 471.771 6.449 50 10 JKGE CCCN[C@H](c1ccc(OCc2ccccc2)cc1Br)[C@H]1C[C@H](Br)C1 2314495433 QRWLOWNRIUFZFF-FIKGOQFSSA-N 467.245 6.242 50 10 JKGE Cc1ccc(C[C@H]2SC(=C(C#N)C(=O)NCc3ccco3)N(c3ccc(C(C)C)cc3)C2=O)cc1 2314593766 SJDGQFUZFAMRHH-RUZDIDTESA-N 485.609 5.454 50 10 JKGE C[C@]12C[C@H](C1)[C@@H]([C@@H](Br)c1c(Br)sc(Br)c1Cl)CO2 2315924657 NNWQYTZONBQPPS-UEBKNRMXSA-N 479.459 6.178 50 10 JKGE Cn1nc(Br)c(Br)c1[C@@H](Br)c1ccc(Cl)c(Cl)c1 2316833351 ZKSXBNBGNBPVAK-QMMMGPOBSA-N 477.809 5.736 50 10 JKGE COc1c(Br)cc(C)c([C@H](Br)[C@H](C)C(F)F)c1Br 2317410677 MSSJBEFHZWMQTR-IMTBSYHQSA-N 450.943 5.866 50 10 JKGE N#CC(=CNc1ccc(Cl)c(Cl)c1)C(=O)N1CCN(C(c2ccccc2)c2ccccc2)CC1 2324598956 PFUFYSCQRZCHQE-UHFFFAOYSA-N 491.422 5.747 50 10 JKGE C[C@H]1CC[C@@H](Cc2ccc(I)c(Br)c2)[C@H](Br)CC1 2325173931 BTIUMETXYLNMBM-WCFLWFBJSA-N 486.029 6.186 50 10 JKGE CC1(C)CC[C@@H](Cc2ccc(I)c(Br)c2)[C@H](Br)C1 2325175129 JPOIVQOZGMUFFM-WCQYABFASA-N 486.029 6.186 50 10 JKGE CCCOc1ccc(CC(O)=C(C#N)c2nc(-c3ccc(OCCC)c(OCCC)c3)cs2)cc1 2331293335 XWZHSVWRASQRJA-UHFFFAOYSA-N 492.641 7.212 50 10 JKGE CCCCc1ccc(N2C[C@@H](C(O)=C(C#N)c3nc(-c4ccc(OC)c(F)c4)cs3)CC2=O)cc1 2331336941 LTKANFWKHPUBDM-IBGZPJMESA-N 491.588 6.146 50 10 JKGE CCc1cccc(CC)c1N1C[C@H](C(O)=C(C#N)c2nc(-c3cccc4ccccc34)cs2)CC1=O 2331339163 LUOACMJRWZTXMY-JOCHJYFZSA-N 493.632 6.934 50 10 JKGE Cc1ccc(-c2csc(C(C#N)=C(O)c3ccc(N4C(=O)c5ccccc5C4=O)cc3)n2)cc1C 2331382704 XHDUOPFZRKOUDQ-UHFFFAOYSA-N 477.545 6.177 50 10 JKGE COc1ccc(-c2csc(C(C#N)=C(O)CCc3nc4ccccc4[nH]c3=O)n2)c2ccccc12 2331408319 WUSXBBRWQWEVNZ-UHFFFAOYSA-N 480.549 5.634 50 10 JKGE COc1cc(C=CC(O)=C(C#N)c2nc(-c3cc(Cl)ccc3OC)cs2)ccc1OC(C)=O 2331410981 ZMOZJMIKMZOKNU-UHFFFAOYSA-N 482.945 5.912 50 10 JKGE COc1ccc(-c2csc(C(C#N)=Cc3ccc(OCc4ccc(C)cc4)c(OC)c3)n2)cc1C 2331429630 OFPUAYKTTQDNIZ-UHFFFAOYSA-N 482.605 7.087 50 10 JKGE CCOc1ccc(-c2csc(C(C#N)=Cc3ccc(OCc4ccccc4)c(OCC)c3)n2)cc1 2331440400 OFNOCEIBOILRIZ-UHFFFAOYSA-N 482.605 7.251 50 10 JKGE CCCOc1ccc(-c2csc(C(C#N)=Cc3ccc(OCc4ccccc4)cc3)n2)cc1 2331445426 VAQMZNWIMZDYCP-UHFFFAOYSA-N 452.579 7.242 50 10 JKGE CCCCCCCOc1ccc(-c2csc(C(C#N)=Cc3c(F)cccc3Cl)n2)cc1 2331459706 MSIQELLREUESIS-UHFFFAOYSA-N 454.998 8.016 50 10 JKGE Cn1ncc([C@@H](Br)c2c(F)cc(Cl)c(Br)c2Cl)c1Br 2335298924 JMVMVOSFCZIXHS-MRVPVSSYSA-N 495.799 5.875 50 10 JKGE FC1(F)C[C@@H]([C@@H](Br)c2ccc(OCc3ccccc3)cc2Br)C12CCC2 2336045717 YPOMJNZSDMNWAA-HKUYNNGSSA-N 486.194 7.290 50 10 JKGE Fc1cc([C@H](Cl)c2cc(Br)ccc2OCc2ccccc2)c(F)cc1Cl 2336049283 BHNIMMBBDFTMIS-FQEVSTJZSA-N 458.129 7.288 50 10 JKGE CCc1nn(C)c([C@H](Br)c2ccc(OCc3ccccc3)cc2Br)c1Cl 2336084679 VZNXBGRHHRBAQV-GOSISDBHSA-N 498.646 6.462 50 10 JKGE Fc1c(Br)cc(Cl)c([C@H](Br)[C@H]2[C@H]3COCC[C@H]32)c1Br 2337086315 KGCVIDJLDZZQMV-HLJYALQUSA-N 477.393 5.723 50 10 JKGE Clc1cc(I)c([C@H](Br)c2cc3c(s2)CCCCC3)s1 2338559337 WISQMYGPMBTGOR-CYBMUJFWSA-N 487.653 6.821 50 10 JKGE Cc1cc(Br)c(F)c(Br)c1[C@@H](Br)[C@@H]1CCCC1(C)C 2339647341 ZTAZGIRHBJYWHC-CABZTGNLSA-N 457.019 6.921 50 10 JKGE F[C@@]12CCC[C@@]1(CBr)CN(Cc1ccc(Cl)c(I)c1)C2 2362370496 IEAGPSNBRYCPBR-HUUCEWRRSA-N 472.567 5.034 50 10 JKGE COc1c(C)cc([C@@H](Cl)c2c(Br)sc(Br)c2Cl)cc1Cl 2362871640 CIHAOQBYANBJEH-SECBINFHSA-N 479.448 7.225 50 10 JKGE Fc1c([C@@H](Br)c2sc(Cl)cc2I)cccc1C(F)(F)F 2363892007 NBEVXNUVFHXMIN-SECBINFHSA-N 499.492 6.648 50 10 JKGE COc1c([C@H](Br)c2c(C)cc(Br)c(F)c2Br)csc1C 2365178584 KNNQXTMHQLTWSV-NSHDSACASA-N 487.026 6.522 50 10 JKGE Cc1ccc(C[C@@H](Br)c2c(C)cc(Br)c(F)c2Br)cc1 2365178644 KRFTVGOECVIKBI-GFCCVEGCSA-N 464.998 6.646 50 10 JKGE COc1c(Br)cc(C)c([C@@H](Br)C23CCC(CC2)C3)c1Br 2365193112 YRDXMSKVOFVIKN-KRSWERPXSA-N 467.039 6.545 50 10 JKGE CCCN[C@@H](c1c(C)cc(Br)c(F)c1Br)C1CC(Br)C1 2365224468 YQHJGKWYIBGRMN-HKJQSTPSSA-N 472.034 5.873 50 10 JKGE COc1c(Br)cc(C)c([C@@H](Br)C2CC3(CCC3)C2)c1Br 2365238419 XSYCAGVPYIXODV-ZDUSSCGKSA-N 467.039 6.545 50 10 JKGE CCCCO[C@@H]1[C@@H](Cl)C[C@@H]1OCc1ccc(I)c(Br)c1 2377617060 XOBPSKZFLGYCTD-AEGPPILISA-N 473.576 5.135 50 10 JKGE FC(F)(F)[C@H]1C[C@@H](CO[C@@H](CI)c2ccccc2Br)C1 2381176722 NWUVQJVYCWAABD-CWSCBRNRSA-N 463.075 5.530 50 10 JKGE CCN(C[C@](C)(CBr)OCC1CCC(C(F)(F)F)CC1)C(=O)OC(C)(C)C 2381557772 HYVZTAQJFPZOMO-JMLCCBQJSA-N 460.375 5.782 50 10 JKGE Cc1ccc(-c2n[nH]c3c2[C@H](c2ccccc2OC(=O)c2ccccc2Cl)C(C#N)=C(N)O3)cc1 10013829 FRPWRBFKUARKOP-JOCHJYFZSA-N 482.927 5.476 50 10 JKGE C/C(=N\NC(=O)c1ccc(NC(=O)c2ccc(C(C)(C)C)cc2)cc1)c1ccc(-c2ccccc2)cc1 12491915 UUKCOZNTYWPELS-PPOKSSTKSA-N 489.619 7.057 50 10 JKGE CCN(CC)CCOC(=O)c1ccc(N/C=C(\C#N)c2nc(-c3ccc(C)cc3)cs2)cc1 33574899 YVSNAKKOFWOMON-OQKWZONESA-N 460.603 5.594 50 10 JKGE Cc1ccc(NC(=O)/C(C#N)=C\c2cc(Cl)cc(Cl)c2OCc2ccccc2Cl)cc1 33619573 QWJJXCDWUGMUAO-ZDLGFXPLSA-N 471.771 7.080 50 10 JKGE COc1cc(/C=C(/C#N)C(=O)Nc2cccc(C(F)(F)F)c2)ccc1OC(=O)c1cccs1 35177419 ADGMUAHBMJGJMW-GDNBJRDFSA-N 472.444 5.540 50 10 JKGE N#C/C(=C/c1cn(-c2ccccc2)nc1-c1cccc2ccccc12)c1nc(-c2ccc(F)cc2)cs1 35519261 SYJSWHVMGYBIBQ-QJOMJCCJSA-N 498.586 8.019 50 10 JKGE CC1=C(C#N)C(=O)N(CCc2ccccc2)C(=O)/C1=C/c1ccc(OCc2ccc(C)cc2)cc1 38607554 OJCUEKVCGGSCIH-OVVQPSECSA-N 462.549 5.409 50 10 JKGE Cc1cc(Cl)ccc1OCC(=O)Oc1ccc2c(c1)OC(N)=C(C#N)[C@@H]2c1cccc(Cl)c1 38651239 BUVQKLKLTFKAJN-XMMPIXPASA-N 481.335 5.504 50 10 JKGE CC(C)(C)c1ccc(OCC(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@H]3c2ccccc2F)cc1 38652153 QGOBRBFRUGTDCJ-SANMLTNESA-N 472.516 5.326 50 10 JKGE N#CC1=C(N)Oc2cc(OC(=O)C(c3ccccc3)c3ccccc3)ccc2[C@H]1c1ccc(F)cc1 38653241 ULSSLRCAQFZLJK-MUUNZHRXSA-N 476.507 5.781 50 10 JKGE Cc1c(C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@H]3c2ccccc2F)oc2ccc(Cl)cc12 38687975 KCZXFDIJOOXOHH-QHCPKHFHSA-N 474.875 5.971 50 10 JKGE Cc1ccc(C)c(NC(=O)/C(C#N)=C/c2c(Oc3cccc(C)c3C)nc3ccccn3c2=O)c1 39993065 WZSQPERPOBXSQT-RCCKNPSSSA-N 464.525 5.266 50 10 JKGE C=CCc1cc(/C=C(/C#N)C(=O)Nc2ccc(C)cc2)cc(OC)c1OCc1ccccc1C#N 59335710 IPFVJWIWUJYJTL-MYYYXRDXSA-N 463.537 5.728 50 10 JKGE COc1ccc(C(=O)N/N=C/c2ccc(OCc3ccc(Cl)cc3Cl)cc2)cc1OC 59447315 NCBYPWHWBXRXEC-LGJNPRDNSA-N 459.329 5.354 50 10 JKGE O=C(CCCNc1ccc(Br)cc1)N/N=C/c1c2ccccc2cc2ccccc12 59507589 IZHYHNHBIRWNRP-OGLMXYFKSA-N 460.375 6.098 50 10 JKGE Cc1c(/C=C(\C#N)C(=O)Nc2ncc(Cc3cc(Cl)ccc3Cl)s2)cc(C#N)n1C 72108394 MGBXMSQOZULOPX-PJQLUOCWSA-N 456.358 5.105 50 10 JKGE Cc1cccn2c(=O)c(/C=C(/C#N)C(=O)NC3CCCC3)c(Oc3ccc(Cl)cc3Cl)nc12 102685496 WYCTZUPSCLMBCT-PTNGSMBKSA-N 483.355 5.068 50 10 JKGE FC(F)(F)Oc1ccc([C@@H](Br)c2cc(Br)c(Br)s2)cc1 131411436 GBNQJMLNVRYLPF-SNVBAGLBSA-N 494.952 6.656 50 10 JKGE COc1c(C)cc(Br)c(C)c1[C@H](Br)c1cc(C)cc(Br)c1 132032004 WXBHSEYEAXSLHG-MRXNPFEDSA-N 477.034 6.630 50 10 JKGE COc1cc([C@H](Br)c2cccc(F)c2Br)c(OC)cc1Br 134297951 RTPQVTVZLSLQMP-CQSZACIVSA-N 482.969 5.852 50 10 JKGE Clc1cccc([C@@H](CI)OCc2cccc(Br)c2)c1 162538553 RNTRTSQZINAFNG-OAHLLOKOSA-N 451.529 5.795 50 10 JKGE N#C/C(=C\c1ccc(OC(=O)/C=C\c2ccco2)cc1)c1nc(-c2ccc3ccccc3c2)cs1 210601699 CMETZRLOQNGOOP-IJKZCVQLSA-N 474.541 7.239 50 10 JKGE CC1=C(C#N)C(=O)N(Cc2ccco2)C(=O)/C1=C\c1cn(-c2ccccc2)nc1-c1ccc(C)c(F)c1 214316154 GLPYQTBWVJCROQ-CFRMEGHHSA-N 492.510 5.372 50 10 JKGE COc1ccc([C@@H](Br)c2ccc(Br)c(C)c2)c(OC)c1Br 224854933 QIGUXKFZDGLFSL-AWEZNQCLSA-N 479.006 6.022 50 10 JKGE COc1cccc(C[C@H](Br)c2ccc(I)c(Cl)c2)c1 232386351 BQCSATDUVUCTDJ-ZDUSSCGKSA-N 451.529 5.632 50 10 JKGE COc1cc(Cl)c([C@@H](Br)c2ccc(Cl)cc2Br)cc1Cl 235019111 QFOGFZZAVABAOK-AWEZNQCLSA-N 459.392 6.902 50 10 JKGE Cc1cc(F)cc(C)c1[C@@H](Br)c1cc(I)ccc1Br 235760569 JMDMULGFRQGCEJ-HNNXBMFYSA-N 497.971 6.294 50 10 JKGE Clc1ccccc1C[C@H](Br)c1ccc(Br)cc1Br 236044323 OIBYVVUTQCJCHT-LBPRGKRZSA-N 453.399 6.544 50 10 JKGE CC(=NNC(=O)c1cc(-c2ccc(Cl)cc2Cl)nc2ccccc12)c1ccc(Cl)cc1 254841404 VJOLCOBXAUZDHW-UHFFFAOYSA-N 468.771 7.016 50 10 JKGE COCCOc1ccc([C@H](Cl)c2sccc2I)cc1Br 312944137 QGFLWQXXVHRRTK-ZDUSSCGKSA-N 487.584 5.469 50 10 JKGE CCOc1cc(CBr)cc(Br)c1OCc1coc(Br)c1 380813867 NZWCMBZFWHEVHN-UHFFFAOYSA-N 468.967 5.677 50 10 JKGE Clc1cc([C@@H]2CN(Cc3ccccc3)C[C@@H]2CI)ccc1Br 382681682 AVDQDXOGUCPVDV-HOTGVXAUSA-N 490.610 5.753 50 10 JKGE Fc1cc2nc(CCCl)n(CCCN(Cc3ccccc3)Cc3ccccc3)c2cc1Cl 390476971 JMSVGBCBQRQFEW-UHFFFAOYSA-N 470.419 6.703 50 10 JKGE C[C@]1(n2c(CCCl)nc3cc(Br)c(F)cc32)CCN(Cc2ccccc2)C1 405960256 OCSWMESJNZKYDI-NRFANRHFSA-N 450.783 5.340 50 10 JKGE CC(C)(C)[Si](C)(C)OCCc1cccc([C@@H]2CN(S(=O)(=O)c3ccccc3)CCCO2)c1 616650308 GODOHCWMEIHJKA-DEOSSOPVSA-N 475.727 5.403 50 10 JKGE Brc1cc2c(cc1[C@H](Br)c1occc1Br)OCCO2 696526638 GRQJEDIKAPPKJK-LBPRGKRZSA-N 452.924 5.060 50 10 JKGE CCOc1ccc([C@H](Br)c2ccsc2Br)cc1Br 698554866 ZDWAZDIEJAWFNH-LBPRGKRZSA-N 455.009 6.156 50 10 JKGE CC1(C)[C@@H](OCc2ccccc2)C[C@@H]1n1c(CCl)nc2ccc(F)c(Br)c21 718080737 RYOMIRROKNZOAZ-IRXDYDNUSA-N 451.767 6.233 50 10 JKGE C[C@@H]1Cc2cc(Br)cc([C@@H](Br)c3nscc3Br)c2O1 720025305 LFKBJZFCRGJEAT-KSBSHMNSSA-N 468.008 5.476 50 10 JKGE Cc1cc(Cl)c([C@@H](Br)c2cccc(F)c2I)cc1C 721684654 PCCBKWQETBKQBN-AWEZNQCLSA-N 453.520 6.185 50 10 JKGE COc1ccc(NC(=O)[C@H](c2cccs2)N(C(=O)CCl)c2cccc(C(F)(F)F)c2)cc1 725237803 NEMSFMRVOCAALV-FQEVSTJZSA-N 482.911 5.727 50 10 JKGE CC(=NNC(=O)COc1ccc2ccccc2c1Br)c1ccc(Br)cc1 1084140430 QCBSBKMHVXVJAC-UHFFFAOYSA-N 476.168 5.284 50 10 JKGE Cc1cc(/C=C(\C#N)C(=O)N2CCN(c3ccccc3)CC2)c(C)n1-c1cccc(Cl)c1Cl 1084316461 YBPPVYSPRAHZMB-LTGZKZEYSA-N 479.411 5.657 50 10 JKGE Cc1ccc(-c2ccccc2)n1-c1ccc(C(=O)NN=Cc2cc(Br)ccc2O)cc1 1084468006 YTZQDFJJDOPAKV-UHFFFAOYSA-N 474.358 5.685 50 10 JKGE CCOc1cc(C=NNC(=O)c2cccc([N+](=O)[O-])c2C)ccc1OCc1ccc(Cl)cc1 1084605015 RRDCQJDGUXVUCA-UHFFFAOYSA-N 467.909 5.298 50 10 JKGE N#CSc1ccc(NC(=O)C2CCN(C(=O)CC(c3ccccc3)c3ccccc3)CC2)cc1 1860588239 MKDXQUGBHPCLBK-UHFFFAOYSA-N 469.610 5.659 50 10 JKGE N#CC1=C(N)Oc2c(c(-c3ccccc3)nn2-c2ccccc2Cl)[C@H]1c1cccc2ccccc12 1865681941 BFULPFVCUQVBPI-VWLOTQADSA-N 474.951 6.564 50 10 JKGE CC(C)(C)c1ccc([C@H]2C(C#N)=C(N)Oc3c2c(-c2ccccc2)nn3Cc2ccccc2)cc1 1865682701 VWEMDJHJZYJEDK-VWLOTQADSA-N 460.581 6.114 50 10 JKGE COc1ccc(-c2nn(Cc3ccc(F)cc3)c3c2[C@@H](c2ccc(N(C)C)cc2)C(C#N)=C(N)O3)cc1 1865684131 UJULEBVSACOPIB-VWLOTQADSA-N 495.558 5.030 50 10 JKGE CCc1nn(-c2ccc(Cl)c(Cl)c2)c2c1[C@@H](c1ccc(Cl)c(Cl)c1)C(C#N)=C(N)O2 1865685553 JYIVECVNRQOBLF-SFHVURJKSA-N 480.182 6.266 50 10 JKGE CCCCOc1ccc([C@@H]2C(C#N)=C(N)Oc3c2c(CC)nn3Cc2ccc(Cl)cc2)cc1 1865690102 IUODPCPZRCPBSQ-HSZRJFAPSA-N 462.981 5.544 50 10 JKGE CCCCCOc1ccc([C@@H]2C(C#N)=C(N)Oc3c2c(C(F)(F)F)nn3CCC)cc1OC 1865696490 NXIBMUJTCLVSEH-GOSISDBHSA-N 464.488 5.108 50 10 JKGE Cc1ccc(CC(=O)N[C@H](C(=O)Nc2ccc(SC#N)cc2)c2ccccc2)cc1Br 1867229878 DBFARFWDWTYYBZ-QHCPKHFHSA-N 494.414 5.369 50 10 JKGE Cc1cc(OCc2ccc(CCl)cc2)cc2c1C(=O)/C(=C/c1ccc(Br)cc1)O2 1871436721 MTZNFFCAICDABY-JJFYIABZSA-N 469.762 6.692 50 10 JKGE CC[C@@H](C)[C@H](/C(O)=C(\C#N)c1nc(-c2ccc3ccccc3c2)cs1)N1C(=O)c2ccccc2C1=O 1872745668 XPDZEYOKQPOVCI-HFNQMJAOSA-N 493.588 6.467 50 10 JKGE N#C/C(=C(/O)c1c(Cl)ccc(Cl)c1Cl)c1nc(-c2ccc(Oc3ccccc3)cc2)cs1 1872753597 FOISDDBLMIRRBL-QJOMJCCJSA-N 499.806 8.512 50 10 JKGE Cc1ccc(-c2csc(/C(C#N)=C(\O)c3ccc(N4C(=O)c5ccccc5C4=O)cc3)n2)cc1C 1872756724 XHDUOPFZRKOUDQ-BZZOAKBMSA-N 477.545 6.177 50 10 JKGE CCOc1c(Br)cc(/C=C(\C#N)c2nc(-c3cccc(OC)c3)cs2)cc1OC 1872781914 VYSOFZVUQNTXED-LZYBPNLTSA-N 471.376 6.053 50 10 JKGE Brc1cc([C@H](Br)[C@@H]2C[C@@H]2Br)sc1Br 1877359664 MNRCNVPTAZKUKX-XZFOZZDRSA-N 453.819 5.493 50 10 JKGE CC1(C)CC(CBr)(CN(CCCNC(=O)OC(C)(C)C)Cc2ccccc2)C1 1892897887 BSFOTFJMDBQJNO-UHFFFAOYSA-N 453.465 5.605 50 10 JKGE Fc1ccc(Cl)c([C@H](Br)c2sc(Br)cc2Br)c1 1922936251 VISIMGFSNGQGMX-JTQLQIEISA-N 463.391 6.550 50 10 JKGE CS(=O)(=O)c1cccc([C@H](Br)c2sc(Br)cc2Br)c1 1922954365 NKIDUROCGIHQGT-NSHDSACASA-N 489.048 5.161 50 10 JKGE CC1(C)[C@@H]([C@@H](Br)c2c(Br)sc(Br)c2Cl)C1(F)F 1923075172 XWUVCIIZUZAVOZ-UJURSFKZSA-N 473.402 6.654 50 10 JKGE Brc1sc(Br)c([C@H](Br)[C@@H]2CCCOC2)c1Br 1924580363 QZIIAAYHCCUVKE-IYSWYEEDSA-N 497.872 5.898 50 10 JKGE Cl[C@@H](c1csnc1Br)c1cc(Br)sc1Br 1925226426 ULMGQRVJCCXXSD-ZCFIWIBFSA-N 452.418 5.820 50 10 JKGE COc1cc(Br)c(C)cc1[C@H](Br)c1csnc1Br 1925270192 KPCMTGUUWIUQNJ-NSHDSACASA-N 455.997 5.469 50 10 JKGE Cc1ccc([C@H](Br)c2c(Cl)sc(Br)c2Cl)c(Br)c1 1925588227 NVCRPIWELXRFMP-VIFPVBQESA-N 493.873 7.373 50 10 JKGE C[C@@H]1CCO[C@H]1C[C@@H](Cl)c1c(Br)sc(Br)c1Br 1951106319 XHBNNPMVYPQWDK-QYNIQEEDSA-N 467.448 6.131 50 10 JKGE CCN(C[C@@](C)(CI)O[C@H]1CC(C)(C)C1(C)C)C(=O)OC(C)(C)C 2025011140 PBDOPZJFKLPKFR-IFXJQAMLSA-N 453.405 5.278 50 10 JKGE Brc1ccc([C@@H](Br)c2cc(Br)c3c(c2)CCO3)s1 2030020809 HNMHNOHNQNVLRZ-LBPRGKRZSA-N 452.993 5.692 50 10 JKGE C[C@@H]1CN(c2cc(Br)cc(F)c2CBr)[C@H](C)CN1Cc1ccccc1 2051130883 BFCNBOWCQOHVRX-HUUCEWRRSA-N 470.224 5.582 50 10 JKGE Cc1c(Br)sc([C@H](Br)[C@@H]2CCCCC23CC3)c1Br 2053369685 APHMJSRUEATMAK-GXSJLCMTSA-N 457.069 6.988 50 10 JKGE O=C(NCCCCCCCCCCCBr)OCC1c2ccccc2-c2ccccc21 2060003742 ZDFOWKFFKZEULF-UHFFFAOYSA-N 472.467 7.431 50 10 JKGE CO[C@@H]1CCC[C@H]([C@@H](Br)c2c(Br)sc(Br)c2Cl)C1 2062719255 VUMKAEGICUBQLU-LKEWCRSYSA-N 481.475 6.568 50 10 JKGE Clc1cc(Br)cc(C[C@H](Br)c2ccccc2Br)c1 2081566719 SXFFUVVXXLWUPU-AWEZNQCLSA-N 453.399 6.544 50 10 JKGE FC[C@]12C[C@]([C@@H](Cl)c3c(Br)sc(Br)c3Br)(CO1)C2 2082593626 FYNAVLGLSODREF-SWPVVBRQSA-N 483.422 5.834 50 10 JKGE Clc1nc(N2CCC3(CCN(Cc4ccccc4)CC3)CC2)sc1CBr 2099102001 HFMVAOLNYZBIFP-UHFFFAOYSA-N 454.865 5.574 50 10 JKGE Cc1cc([C@@H](Br)c2c(C)cc(C)c(Br)c2C)c(Br)s1 2101013643 FFUUIQVHWZMYNL-CQSZACIVSA-N 467.064 6.991 50 10 JKGE CCC(CC)(CBr)CN=[S@@](C)(=O)C[C@H](NC(=O)OC(C)(C)C)C(C)(C)C 2106785078 AGVQVRQYCDIGRT-HAWMADMCSA-N 455.503 5.225 50 10 JKGE Clc1c(Br)cccc1CC[C@H](Br)c1cccc(Br)c1 2113448669 CQPBGHGTPQFVCZ-ZDUSSCGKSA-N 467.426 6.934 50 10 JKGE Cc1cc(Br)cc(Oc2cc(Br)cc(F)c2CBr)c1 2114266057 MSBJDJNUJRVJKR-UHFFFAOYSA-N 452.943 6.346 50 10 JKGE FC(F)(F)[C@H]1CN(Cc2ccccc2)CCN1c1c(CCl)ccc(Br)c1Cl 2186709214 BBSAITCJJAVAAA-MRXNPFEDSA-N 482.171 6.094 50 10 JKGE COc1cc(C)c([C@H](Br)c2c(Br)c(C)nn2C)cc1Br 2198735973 YUXTZCMEDUZBEO-ZDUSSCGKSA-N 466.999 5.055 50 10 JKGE Cc1cc(Br)c(C)c([C@@H](Br)[C@@H]2CCCS(=O)(=O)C2)c1Br 2201063245 CLWADDQMBYAAAL-YGRLFVJLSA-N 489.067 5.089 50 10 JKGE Cc1c(Br)ccc([C@H](Br)[C@H]2Cc3ccccc3O2)c1Br 2203686758 OEUUEDMAVGFNMO-ZBFHGGJFSA-N 460.991 5.960 50 10 JKGE CCOc1ccc([C@@H](Br)c2ccc(Br)c(C)c2Br)cc1 2203689297 XVUHBDAOGAOFLH-MRXNPFEDSA-N 463.007 6.403 50 10 JKGE Cc1cccc([C@@H](Br)c2ccc(-c3cccs3)s2)c1I 2205863362 VURYXSSFCWNCJI-OAHLLOKOSA-N 475.214 6.874 50 10 JKGE COc1cc(F)c(Cl)cc1[C@H](Br)c1ccc(Br)cc1Br 2207360195 CGMPGYSPISJZEK-CQSZACIVSA-N 487.388 6.497 50 10 JKGE Cc1c(Br)csc1[C@H](Br)c1sc(Cl)cc1Br 2210635305 HQVMRCZRKLHZEK-QMMMGPOBSA-N 465.457 6.781 50 10 JKGE Fc1cc(Br)c(Br)cc1[C@@H](Cl)c1sncc1Br 2213488931 IRMQLHLDKVQWSH-SECBINFHSA-N 464.379 5.898 50 10 JKGE C[C@@H](COCc1ccccc1)n1c(CCl)nc2cc(Br)c(Br)cc21 2213528138 QBYDOJZLOOYUQD-LBPRGKRZSA-N 472.608 6.078 50 10 JKGE FC(F)C1CC([C@@H](Br)c2c(Br)sc(Br)c2Cl)C1 2217479713 ANQDEXQPLNCYER-BBZZFXJRSA-N 473.402 6.654 50 10 JKGE Fc1cc(Br)c(Br)cc1[C@H](Br)[C@@H]1C[C@@H]1C(F)(F)F 2218595847 AXWPNCCKUYZFFH-ZXKKRNMJSA-N 454.881 5.985 50 10 JKGE COc1cc(Br)c([C@@H](Br)c2csc(Br)c2)cc1C 2220436230 DOEOFACRWCVOIO-ZDUSSCGKSA-N 455.009 6.074 50 10 JKGE Cc1cc(Br)c(C)c([C@H](Br)[C@@]2(Cl)CC2(C)C)c1Br 2222047982 OFVVIHFFJYBHJG-JSGCOSHPSA-N 459.447 6.672 50 10 JKGE Fc1cc(Br)c(Br)cc1[C@H](Br)[C@@H]1C[C@H]2O[C@H]1[C@H]1C[C@H]12 2225635108 SSWZHDVUCDIUNG-PTEZRPMJSA-N 454.959 5.210 50 10 JKGE Cc1cc(Br)c([C@H](Cl)c2cc(I)cc3c2OCC3)s1 2229324998 BVEDTJIVLXBJTJ-GFCCVEGCSA-N 469.569 5.687 50 10 JKGE CC(C)[C@@H]1CCC[C@H]1[C@@H](Br)c1c(Br)cc(Cl)c(Cl)c1Cl 2232509934 FMESMSJUDZUDRE-IGJMFERPSA-N 463.468 7.918 50 10 JKGE FC1(F)[C@@H]([C@H](Br)c2c(Br)cc(Cl)c(Cl)c2Cl)C12CCC2 2232530940 WQJUTGSPYIEZMB-KCJUWKMLSA-N 469.378 7.281 50 10 JKGE C[C@@](CBr)(O[C@H]1CCN(Cc2ccccc2)C1)c1ccccc1Br 2250385560 HCBRSOXAIXGMBB-PXNSSMCTSA-N 453.218 5.350 50 10 JKGE Cc1cc(Br)c([C@@H](Cl)Cc2cc(Br)cc(Br)c2)s1 2263451366 WXSCBNSUTGJDIU-LBPRGKRZSA-N 473.455 6.867 50 10 JKGE COc1cc(Cl)c(Cl)cc1[C@@H](Br)c1ccc(OCc2ccccc2)cc1 2264364391 GZYLEJCRPOVHFI-NRFANRHFSA-N 452.175 7.065 50 10 JKGE Cc1cc(Br)c([C@@H](Cl)c2ccc(I)cc2)c(C)c1F 2264476027 KSCPSVGLQHAGND-AWEZNQCLSA-N 453.520 6.138 50 10 JKGE Fc1cc(F)c([C@H](Cl)c2scc(Br)c2Cl)c(F)c1Br 2264606825 FPBGLFGBIBKFMJ-VIFPVBQESA-N 454.920 6.672 50 10 JKGE Fc1cc(Cl)c([C@@H](Br)c2c(F)cccc2I)cc1F 2267739825 OBAVLBRSUIPADU-CYBMUJFWSA-N 461.446 5.846 50 10 JKGE COc1c([C@@H](Br)c2cc(Br)co2)cc(Br)c(C)c1C 2270492572 XXRUYEITJLDWSN-CYBMUJFWSA-N 452.968 5.914 50 10 JKGE COc1c([C@H](Br)c2cc(Br)c(Br)cc2F)csc1C 2271694858 RXEQGJGFOOGZPP-GFCCVEGCSA-N 472.999 6.214 50 10 JKGE C[C@@H]1CCC[C@@H](CCOc2c(Br)cc(Br)cc2CBr)C1 2279845049 KYMGSXPKSQOPIK-NEPJUHHUSA-N 469.055 6.702 50 10 JKGE Fc1cc(Br)c([C@@H](Cl)c2c(F)cccc2I)c(F)c1Cl 2282786920 KTURGXKGIUDIHX-GFCCVEGCSA-N 495.891 6.453 50 10 JKGE COc1ccc([C@H](Cl)c2ccc(I)c(C)c2)c(Br)c1Cl 2283546109 XKNQBRINFZGOMC-CQSZACIVSA-N 485.974 6.352 50 10 JKGE Cc1cc(Br)c([C@H](Br)[C@H]2CCC[C@@H]2C(F)F)c(C)c1Br 2285685847 XOMOIBPWVIEAOG-PKFCDNJMSA-N 475.009 6.946 50 10 JKGE Fc1cc(Cl)cc([C@@H](Br)Cc2cc(Br)cc(Br)c2)c1F 2295345970 TUMFILIZCGCGGB-LBPRGKRZSA-N 489.379 6.822 50 10 JKGE COc1ccc(-c2nn(-c3ccccc3)cc2C=C(C#N)c2nn(-c3ccccc3)c(N)c2C#N)cc1 2296820042 BQDXLHLOMMESIU-UHFFFAOYSA-N 483.535 5.252 50 10 JKGE COc1cccc(NC(SCc2cccc([N+](=O)[O-])c2)=C(C#N)C(=O)NCc2cccs2)c1 2297414615 ZGGCFHHZXXPVOX-UHFFFAOYSA-N 480.571 5.062 50 10 JKGE CCN(CC)c1ccc(C=C(NC(=O)c2ccccc2)C(=O)NN=C(C)c2ccc(C)cc2)cc1 2297451078 BTWPDXJYEABCLZ-UHFFFAOYSA-N 468.601 5.153 50 10 JKGE Cc1c(Cl)sc(Cl)c1[C@H](Br)c1scc(Br)c1Cl 2299537758 NISTXLMGZYLAID-LURJTMIESA-N 455.451 7.325 50 10 JKGE Brc1cc([C@@H](Br)[C@@H]2OC[C@@H]3CCCC[C@@H]32)sc1Br 2312259513 FHXHRQOKKAOMPT-LDDIKCJXSA-N 459.041 5.914 50 10 JKGE CCCOc1c(I)cc(C=C(C#N)C(=O)Nc2ccccc2)cc1OCC 2313518577 JSUWYEHKIWXDSE-UHFFFAOYSA-N 476.314 5.024 50 10 JKGE N#CC(=Cc1ccccc1OCc1ccc(Cl)c(Cl)c1)C(=O)Nc1cccc(Cl)c1 2313630453 ACPUUBICMHHKTK-UHFFFAOYSA-N 457.744 6.771 50 10 JKGE CCOc1cc(C=C(C#N)C(=O)Nc2ccc(OC)cc2)ccc1OCc1ccc(Cl)cc1Cl 2313667924 YNPHTOSVANNARH-UHFFFAOYSA-N 497.378 6.525 50 10 JKGE COc1cc(C=C(C#N)C(=O)Nc2cccc([N+](=O)[O-])c2)ccc1OCc1ccc(Cl)cc1Cl 2313738597 ISUJGKUNTWQRSX-UHFFFAOYSA-N 498.322 6.035 50 10 JKGE Brc1ccc(OCc2ccccc2)c([C@@H](Br)CC23CCC(CC2)C3)c1 2314454358 FYHBHHYSAAFLSA-BRFBUHTJSA-N 464.241 7.435 50 10 JKGE O=S1(=O)CCC[C@H]([C@@H](Br)c2cc(Br)ccc2OCc2ccccc2)C1 2314497238 IXZZJVMAYXIYHI-HNAYVOBHSA-N 488.241 5.289 50 10 JKGE CCOc1ccc(-c2nn(-c3ccccc3)cc2C=C2C(=O)N(CC(C)C)C(=O)C(C#N)=C2C)cc1C 2314609958 ATHULIWZYRCZMF-UHFFFAOYSA-N 494.595 5.495 50 10 JKGE COCc1ccc([C@H](Cl)c2ccc(I)c(Br)c2)s1 2315097276 JIJXQFWVSWCKSK-CYBMUJFWSA-N 457.558 5.590 50 10 JKGE CCOC1([C@@H](Br)c2c(Cl)cc(Br)c(F)c2Br)CC1 2315454465 XHQFQKUCFZREKW-NSHDSACASA-N 465.382 6.009 50 10 JKGE Cn1cnc(Br)c1[C@@H](Br)Cc1ccc(Br)cc1Cl 2315586591 HELXWGORINYDQI-VIFPVBQESA-N 457.391 5.277 50 10 JKGE CC(C)(C)OC(=O)N1CCC(CI)(OCC[C@@H]2CC[C@H]2C2CC2)CC1 2319636838 ZMDOPJQKTHEVSP-IRXDYDNUSA-N 463.400 5.034 50 10 JKGE CC(C)(C)OC(=O)N1CC[C@H](C2CCC3(CC2)CC[C@](C)(CI)O3)C1 2328002154 PGUONHWCMHKHKC-QKJKXLBDSA-N 463.400 5.177 50 10 JKGE COc1ccccc1-c1csc(C(C#N)=C(O)C=Cc2ccc(OCc3ccccc3)cc2)n1 2331282080 BDLUJFQVOSKDQJ-UHFFFAOYSA-N 466.562 6.904 50 10 JKGE CCOc1ccc(-c2csc(C(C#N)=C(O)[C@@H](C)Oc3ccc(Cl)cc3Cl)n2)cc1 2331305761 RHDRZZTVBQZZTC-CYBMUJFWSA-N 461.370 6.776 50 10 JKGE N#CC(=C(O)C=Cc1ccc(OCc2ccccc2)cc1)c1nc(-c2ccc3c(c2)OCCO3)cs1 2331330737 FGDCKUZKDYJECK-UHFFFAOYSA-N 494.572 6.666 50 10 JKGE N#CC(=Cc1cccc(OCc2ccccc2)c1)c1nc(-c2ccc(Cl)cc2Cl)cs1 2331425330 ZEBOUSKJLIBQJZ-UHFFFAOYSA-N 463.389 7.760 50 10 JKGE N#CC(=Cc1ccccc1OCc1ccccc1Cl)c1nc(-c2ccc(F)cc2F)cs1 2331437912 SCWFUYLIMRVYGM-UHFFFAOYSA-N 464.924 7.385 50 10 JKGE CCN(Cc1ccccc1)c1ccc(C=C(C#N)c2nc(-c3ccc4c(c3)OCO4)cs2)cc1 2331454070 SKAYNFNEZSSJAF-UHFFFAOYSA-N 465.578 6.629 50 10 JKGE CCCCCOc1ccc(C=C(C#N)c2nc(-c3cc(OCC)ccc3OCC)cs2)cc1 2331470206 SGOJLOSHSYSNHU-UHFFFAOYSA-N 462.615 7.241 50 10 JKGE C=C(CO)[C@@H]1CC[C@@H]2[C@]3(C)CC[C@H]([C@H](C)CCC=C(C)C=O)[C@]3(C)CC[C@@]23C[C@@]13CCC(=O)O 2333297255 IOFXIXOKOAYADV-YGKBSAOKSA-N 470.694 6.580 50 10 JKGE Clc1ccc(CNC2(CCBr)CCSCC2)cc1I 2337224014 UDRJAGOGPPXDBR-UHFFFAOYSA-N 474.633 5.085 50 10 JKGE COc1c(Br)cc(C)c([C@H](Br)[C@]23COC[C@H]2C3)c1Br 2339692201 VSBBJFJGXXODIF-NFMODRRSSA-N 454.984 5.001 50 10 JKGE ClCCC[C@H]1CCCN(Cc2ccc(I)c(Br)c2)C1 2349826598 GBOKBFWPIHTFPY-LBPRGKRZSA-N 456.593 5.285 50 10 JKGE ClC[C@@]1(Cc2ccc(I)c(Br)c2)CCCC12CCC2 2349839596 IZMHLJLFHCSPAQ-INIZCTEOSA-N 453.589 6.176 50 10 JKGE Fc1cccc(OCc2cc(I)ccc2Cl)c1CBr 2352351538 WPXDWHJZYQFFOR-UHFFFAOYSA-N 455.492 5.558 50 10 JKGE Cl[C@H](c1cc2c(s1)CCCCC2)c1ccc(OCc2ccccc2)cc1Br 2361195452 PMPQKNGCNOXSGG-QHCPKHFHSA-N 461.852 7.687 50 10 JKGE CC(C)(C)OC1CC(C[C@@H](Cl)c2ccc(OCc3ccccc3)cc2Br)C1 2361213216 BKGPARQCGSCKEU-RKOYOZNISA-N 451.832 7.292 50 10 JKGE Fc1ccccc1C[C@H](Br)c1c(Cl)cc(Br)c(F)c1Br 2362231588 XZLPIUGLKAEOJS-QMMMGPOBSA-N 489.379 6.822 50 10 JKGE Fc1c(Br)cc(Cl)c([C@@H](Cl)CC(F)(F)C(F)(F)F)c1Br 2362234335 GPHDYALKLRSSSU-YFKPBYRVSA-N 468.844 6.872 50 10 JKGE C[C@@H]1CCC[C@@H]([C@H](Br)c2c(Cl)cc(Br)c(F)c2Br)CC1 2362238580 WCFXPDZFOJMGBB-KKFJDGPESA-N 491.464 7.657 50 10 JKGE O=C(N[C@H]1CCCC[C@@H]1CCBr)c1ccc(Cl)cc1I 2365599193 UUISADGPYZSVJZ-YGRLFVJLSA-N 470.576 5.018 50 10 JKGE CO[C@]1(C(F)F)C[C@H]([C@@H](Br)c2cc(Br)c(C)cc2Br)C1 2368963518 HEAIAXKJCVBZGD-RGZBUGHASA-N 476.981 6.016 50 10 JKGE Cl[C@@H]1CCC[C@H]2CN(Cc3ccc(I)c(Br)c3)CC[C@@H]12 2377314024 FAGYEDJHNKSZIK-GZBFAFLISA-N 468.604 5.283 50 10 JKGE O=C(NC1CCCCCC1)[C@H](c1ccc(F)cc1)N(Cc1ccccc1Cl)C(=O)CCl 3038745 BUUMOMMFGHABGV-QHCPKHFHSA-N 465.396 5.627 50 10 JKGE CC[C@H](C)c1ccccc1O[C@H](C)C(=O)NNC(=O)CCCOc1ccc(Cl)cc1Cl 9872583 DHZWNECQDPXIHZ-JKSUJKDBSA-N 467.393 5.281 50 10 JKGE CC(C)(C)c1ccc(OCC(=O)NNC(=O)c2ccccc2OCc2ccccc2)c(C(C)(C)C)c1 14661795 PDQDFSGPMHXUAJ-UHFFFAOYSA-N 488.628 5.701 50 10 JKGE CC[C@@H](Oc1ccc(-c2ccccc2)cc1)C(=O)NNC(=O)COc1cc(C)ccc1C(C)C 14768762 QOYHCKIRLAHCBZ-RUZDIDTESA-N 460.574 5.169 50 10 JKGE N#CC(C#N)=C/C=C(/Sc1c(Cl)c(Cl)nc(Cl)c1Cl)c1ccc(Cl)cc1 31910124 TYZHBWNPQLKSTI-WUXMJOGZSA-N 461.588 7.455 50 10 JKGE N#C/C(=C\c1ccc(-c2c(Cl)cccc2Cl)o1)C(=O)Nc1sc2c(c1C#N)CCCC2 35519414 HAUVDBULUJDANW-JLHYYAGUSA-N 468.365 6.611 50 10 JKGE COc1ccc(OCC(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@@H]3c2ccc(Cl)c(Cl)c2)cc1 38655838 AYCPTBMGPDEWJN-XMMPIXPASA-N 497.334 5.205 50 10 JKGE CCOc1ccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4ccc(Cl)cc4)ccc32)cc1OCC 38679043 VOFXABSHHABTDM-RUZDIDTESA-N 490.943 5.575 50 10 JKGE CCCOc1c(Cl)cc(C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@@H]3c2ccc(C)o2)cc1Cl 38688679 GKYJUFALKJLDKA-JOCHJYFZSA-N 499.350 6.121 50 10 JKGE COc1ccccc1NC(=O)/C(C#N)=C\c1c(Oc2ccc(C(C)(C)C)cc2)nc2ccccn2c1=O 39858515 NHGMJGDPAGQEFL-ZPHPHTNESA-N 494.551 5.339 50 10 JKGE CCc1ccc(Oc2nc3c(C)cccn3c(=O)c2/C=C(/C#N)C(=O)Nc2cccc(C)c2)cc1 39858659 BFFCGXIJAVDDAU-PGMHBOJBSA-N 464.525 5.212 50 10 JKGE C[C@@H](Oc1ccccc1F)C(=O)Oc1ccc2c(c1)OC(N)=C(C#N)[C@H]2c1c(Cl)cccc1Cl 40529676 ZBHAFWWRKGULOC-DMZKTXOQSA-N 499.325 5.724 50 10 JKGE COc1ccc(C(=O)N/N=C2\CCCc3oc(C(=O)Oc4ccc(Cl)cc4Cl)c(C)c32)cc1 40813891 HVPYVYROBREVEA-OVVQPSECSA-N 487.339 5.593 50 10 JKGE Cc1c(C(=O)NNc2ccccc2)oc2c1/C(=N/NC(=O)c1ccc(-c3ccccc3)cc1)CCC2 40822696 MARDGKSHIQCVRK-QFMPWRQOSA-N 478.552 5.482 50 10 JKGE COc1ccc(Br)c(/C=N/NC(=O)c2ccccc2OCc2ccc(Cl)cc2)c1 48571924 JDDMLRJYFPTLNN-DHRITJCHSA-N 473.754 5.454 50 10 JKGE O=C(Nc1ccc(Oc2ccc3c(c2)C(=O)OC3=O)cc1)c1ccc(Oc2ccc([N+](=O)[O-])cc2)cc1 105439496 BBZZEQZXLOGELL-UHFFFAOYSA-N 496.431 5.742 50 10 JKGE Brc1cc([C@@H](Br)c2ccc3c(c2)OCCCO3)sc1Br 128547308 XBNWMTPFKNMYAI-ZDUSSCGKSA-N 483.019 5.919 50 10 JKGE CCCCCCC1(CCCCCC)c2cc(B(O)O)ccc2-c2ccc([Si](C)(C)C)cc21 203637961 VKUJTJNTVLWDEM-UHFFFAOYSA-N 450.548 6.119 50 10 JKGE CCOC(=O)c1c(NC(=O)/C(C#N)=C\c2ccc(OC)c(OC(C)C)c2)sc2c1CCCC2 209404827 HVTKHQBPAHGUIV-ATVHPVEESA-N 468.575 5.145 50 10 JKGE CC1=C(C#N)C(=O)N(Cc2ccco2)C(=O)/C1=C\c1cn(-c2ccccc2)nc1-c1ccc(C)cc1 214314722 KPNFUGPTQDILEH-MYYYXRDXSA-N 474.520 5.233 50 10 JKGE Cc1c(Cl)cccc1[C@H](Br)c1cc(Br)c(Br)s1 219947542 DALJEXFGMCXBJL-NSHDSACASA-N 459.428 6.719 50 10 JKGE Cc1sc([C@@H](Br)c2ccc(Br)c(C(F)(F)F)c2)cc1Br 227833821 IACDZQXJTMIYEV-LBPRGKRZSA-N 492.980 7.085 50 10 JKGE Fc1cc(Br)ccc1[C@H](Br)c1cc(Br)cc2c1OCC2 228445014 JGGLWWJDCZKPTB-AWEZNQCLSA-N 464.954 5.770 50 10 JKGE Brc1cccc(C[C@@H](Br)c2cc(Br)cc(Br)c2)c1 232476918 HULOFMBAEVFAQA-CQSZACIVSA-N 497.850 6.653 50 10 JKGE Cc1ccc(C(=O)NN=Cc2cn(Cc3ccc(Cl)cc3Cl)nc2-c2ccccc2)cc1 252617767 KZYXSTAUDKHQAW-UHFFFAOYSA-N 463.368 5.978 50 10 JKGE CCC[C@H](CC(C)C)[C@H](Br)c1cc(I)cc2c1OCC2 308020343 JJRNVOSLZXTPFR-WBMJQRKESA-N 451.186 6.125 50 10 JKGE COc1cc(F)c(Br)cc1[C@@H](Br)c1cccc(OCc2ccccc2)c1 312107227 KSMWUQZCVHCLQN-NRFANRHFSA-N 480.171 6.660 50 10 JKGE Clc1cc(Br)ccc1[C@H]1CN(Cc2ccccc2)C[C@@H]1CI 382710274 GWRJPCHDYQYVCW-YOEHRIQHSA-N 490.610 5.753 50 10 JKGE CN(C[C@@H]1CCN(Cc2ccccc2)C1)c1ccc(CBr)c(Br)c1 383139753 TUSJZUMBXBJFTM-KRWDZBQOSA-N 452.234 5.302 50 10 JKGE COc1cc(Br)c([C@H](Br)c2cc(Br)oc2C)cc1OC 396605363 RIBWARDABPXPDX-CQSZACIVSA-N 468.967 5.615 50 10 JKGE FC(F)(F)c1csc([C@H](Br)c2cscc2Br)c1Br 404702985 GWZZAXYTLBDZIG-SSDOTTSWSA-N 484.982 6.838 50 10 JKGE Brc1csc([C@H](Br)c2ccc3c(c2)CCO3)c1Br 705422190 ACWXXHJDKRJRKK-LLVKDONJSA-N 452.993 5.692 50 10 JKGE Clc1ccc(C[C@H](Br)c2scc(Br)c2Br)cc1Cl 705493576 UMFKRNNXOJAAGJ-ZETCQYMHSA-N 493.873 7.259 50 10 JKGE ClCCc1nc2c(Cl)cccc2n1CC1(N(Cc2ccccc2)Cc2ccccc2)COC1 705613084 YDIMHSIMOKVLAS-UHFFFAOYSA-N 480.439 5.942 50 10 JKGE CC(F)(F)CCCC(CBr)(CBr)c1ccccc1Br 718675309 GXHCGVURQJMORW-UHFFFAOYSA-N 462.998 6.302 50 10 JKGE Cc1ccc2c(CC(=O)NN=C3CCCc4oc(C(=O)NNc5ccccc5)c(C)c43)coc2c1C 1772752088 UJINBJJLAVNWLD-UHFFFAOYSA-N 484.556 5.107 50 10 JKGE COc1cc(C=NNC(=O)CSc2nc3ccccc3o2)ccc1OCc1c(F)cccc1Cl 1772760319 BNJCPYWXWHHMCJ-UHFFFAOYSA-N 499.951 5.450 50 10 JKGE CC(C)c1ccc([C@@H]2C(C#N)=C(N)Oc3c2c(-c2ccccc2)nn3Cc2cccc(F)c2)cc1 1865686153 RYGOFQNPDDISEF-RUZDIDTESA-N 464.544 6.079 50 10 JKGE CCCn1nc(-c2ccccc2)c2c1OC(N)=C(C#N)[C@@H]2c1ccc(OCc2ccccc2)c(OC)c1 1865687715 YOYCTTVNDHJYGZ-SANMLTNESA-N 492.579 5.766 50 10 JKGE N#CC1=C(N)Oc2c(c(C(F)(F)F)nn2Cc2c(F)cccc2Cl)[C@H]1c1cc(Cl)ccc1O 1865689176 LVJCMSPUGFGGTI-INIZCTEOSA-N 499.251 5.320 50 10 JKGE COc1cc([C@@H]2C(C#N)=C(N)Oc3c2c(-c2ccccc2)nn3-c2ccc(C)cc2)cc(OC)c1OC 1865693851 ZTQQQCUIHGHPIG-XMMPIXPASA-N 494.551 5.092 50 10 JKGE CCc1nn(CC(C)C)c2c1[C@H](c1ccc(OCc3ccc(Cl)cc3Cl)cc1)C(C#N)=C(N)O2 1865701378 UJPXAHDEBQMYDU-HSZRJFAPSA-N 497.426 6.205 50 10 JKGE COc1cccc([C@H]2C(C#N)=C(N)Oc3c2c(-c2ccccc2)nn3-c2ccc(C)cc2)c1OC 1865701469 WFDNVPRSTVWFMJ-QHCPKHFHSA-N 464.525 5.083 50 10 JKGE COc1ccccc1[C@H]1C(C#N)=C(N)Oc2c1c(C(F)(F)F)nn2Cc1ccc(Cl)c(Cl)c1 1865709774 GONNIQYQUNICQR-KRWDZBQOSA-N 495.288 5.484 50 10 JKGE N#CC1=C(N)Oc2c(c(-c3ccccc3)nn2-c2ccc(Cl)cc2)[C@@H]1c1ccc([N+](=O)[O-])cc1 1865713159 SIGAJOMKNJUFQR-OAQYLSRUSA-N 469.888 5.319 50 10 JKGE Cc1nc(-c2ccc(Cl)c(Cl)c2)ccc1C(=O)NNC(=O)C(c1ccccc1)c1ccccc1 1865759132 KAIULYCHZZFUKW-UHFFFAOYSA-N 490.390 5.957 50 10 JKGE Cc1nc(-c2ccc(Cl)c(Cl)c2)ccc1C(=O)NNC(=O)/C=C/c1cccc(OC(C)C)c1 1865759327 UPYVPQJUFDTUGR-KPKJPENVSA-N 484.383 5.625 50 10 JKGE Cc1nc(-c2ccc(F)cc2F)ccc1C(=O)NNC(=O)c1ccccc1SCC(C)C 1865759840 UZNJQQCDUGGWNC-UHFFFAOYSA-N 455.530 5.158 50 10 JKGE CCOC(=O)c1c(NC(=O)/C(C#N)=C/c2ccc(F)cc2)sc(C(=O)Nc2ccccc2)c1C 1866127904 LSXARMGLNLOXIE-GHRIWEEISA-N 477.517 5.170 50 10 JKGE CCC[C@@H](NC(=O)C[C@H](c1ccc(F)c(C)c1)C(C)C)C(=O)Nc1ccc(SC#N)cc1 1866766669 OEPNHFOUSPZTJI-JTHBVZDNSA-N 455.599 5.761 50 10 JKGE N#C/C(=C(/O)c1ccc(Cl)c(Cl)c1)c1nc(-c2cccc(Br)c2)cs1 1872746030 OGBMZGTWDZIGKN-LGMDPLHJSA-N 452.160 6.829 50 10 JKGE N#C/C(=C(/O)c1ccc2c(c1)C(=O)N(Cc1ccccn1)C2=O)c1nc(-c2ccccc2Cl)cs1 1872746440 IJWRFYYOKQUGBQ-ATJXCDBQSA-N 498.951 5.605 50 10 JKGE CCOc1ccc(/C=C/C(O)=C(\C#N)c2nc(-c3ccc4c(c3)OCCO4)cs2)cc1OC 1872751248 YPQLGCJPKVIKGY-LWRQOURBSA-N 462.527 5.495 50 10 JKGE COc1c(Cl)cc(Cl)cc1-c1csc(/C(C#N)=C(\O)c2cc([N+](=O)[O-])ccc2Cl)n1 1872754446 SPSMKUOFRHRQQO-LGMDPLHJSA-N 482.732 6.637 50 10 JKGE COc1ccc(-c2csc(/C(C#N)=C(\O)[C@H]3CC(=O)N([C@H](C)c4ccccc4)C3)n2)c(OC)c1 1872755303 HQBYIROUSBKQDD-GZGRSQGUSA-N 475.570 5.230 50 10 JKGE COc1ccc(/C=C/C(O)=C(\C#N)c2nc(-c3cc(Cl)c(OC)c(Cl)c3)cs2)c(OC)c1 1872756013 QFHYOEZIGQRCAW-NAGDDHGUSA-N 489.380 6.649 50 10 JKGE COc1cc(-c2csc(/C(C#N)=C(\O)[C@H](C)Oc3ccc(C(C)C)cc3)n2)c(OC)cc1Cl 1872756098 CUDCEAULQVFGEG-KHJVFXTQSA-N 485.005 6.864 50 10 JKGE COc1cc(Br)cc(/C=C(\C#N)c2nc(-c3ccc(Br)cc3)cs2)c1O 1872780943 PWIQQEKNIMDBEX-AWNIVKPZSA-N 492.192 6.113 50 10 JKGE CCCCCOc1ccc(/C=C(\C#N)c2nc(-c3ccc4c(c3)CCCC4)cs2)cc1OCC 1872782539 LTNGIIKYGXREGK-PCLIKHOPSA-N 472.654 7.721 50 10 JKGE CCCCCCCOc1ccc(-c2csc(/C(C#N)=C/c3ccc(OCC)c(OCC)c3)n2)cc1 1872791689 QOORZDNVACALHS-HKOYGPOVSA-N 490.669 8.021 50 10 JKGE CC[C@@H](C)[C@@H](/C(O)=C(\C#N)c1nc(-c2ccc(F)c(C)c2)cs1)N1C(=O)c2ccccc2C1=O 1873920429 FLHIKQVVQDFZRW-DDXFLYLXSA-N 475.545 5.761 50 10 JKGE COc1ccc(C)cc1-c1csc(/C(C#N)=C(\O)[C@@H]2CC(=O)N([C@@H](C)c3ccccc3)C2)n1 1873920950 NEPBSPWVVLHFBJ-OZMHDOHSSA-N 459.571 5.530 50 10 JKGE BrCc1ccc(N2C[C@@H]3CCN(Cc4ccccc4)[C@@H]3C2)c(Br)c1 1909109550 SHRFJKMYVBYWDS-FXAWDEMLSA-N 450.218 5.055 50 10 JKGE CC1(C)C[C@@H](N(Cc2ccccc2)c2ccc(CBr)c(Br)c2)CO1 1915484245 HBEQWASGNWFBPP-GOSISDBHSA-N 453.218 5.918 50 10 JKGE Cc1ccc(Br)c(C(=O)N(Cc2ccccc2)C2(CBr)CCC2)c1 1915756814 NUKWZBDQOIHDHW-UHFFFAOYSA-N 451.202 5.718 50 10 JKGE Cc1c(Br)sc([C@@H](Br)c2ccc(Cl)c(Cl)c2)c1Br 1922898350 UUWDQHIURYBURK-JTQLQIEISA-N 493.873 7.373 50 10 JKGE Cc1c(Br)sc([C@H](Cl)c2ccccc2Br)c1Br 1922932825 PJKTXCBHKALAAE-SNVBAGLBSA-N 459.428 6.672 50 10 JKGE FC1(F)CCCC[C@@H]1[C@H](Br)c1sc(Br)cc1Br 1922936529 VWZXZJJCIKODNJ-MUWHJKNJSA-N 452.984 6.535 50 10 JKGE Cc1c(Br)sc([C@@H](Br)c2cc3c(s2)CCC3)c1Br 1922955229 XOZOOEMHKZZSSO-NSHDSACASA-N 471.077 6.616 50 10 JKGE CC[C@@H](c1ccccc1)[C@@H](Br)c1c(Br)sc(Br)c1Cl 1923067483 DBLUTJSDOCHCCT-GXSJLCMTSA-N 487.482 7.556 50 10 JKGE CC(C)(C)OC(=O)NN=Cc1cc(Br)cc(Br)c1OCc1ccccc1 1923598948 FUCZOLDOGNDFLQ-UHFFFAOYSA-N 484.188 5.649 50 10 JKGE Cc1cc(Br)c(F)c([C@H](Br)[C@@H](C)c2ccncc2Br)c1 1924054983 CTKXYBAOZQDBRT-LKFCYVNXSA-N 465.986 6.294 50 10 JKGE CC1(C)COc2c([C@@H](Br)c3csnc3Br)cc(Br)cc21 1925265368 WPIOBUOQWPLDGS-LLVKDONJSA-N 482.035 5.822 50 10 JKGE CCC(C)(CC)[C@@H](Br)c1c(Br)sc(Br)c1Br 1985603736 DPIZVASUERKOBH-QMMMGPOBSA-N 497.916 7.298 50 10 JKGE O[C@H](c1c(Br)c(Br)cc(Br)c1Br)[C@H]1C[C@@H]1Cl 1995047346 GNDWCFHDXKPEAA-GRZGVKPESA-N 498.234 5.397 50 10 JKGE Cn1nc([C@@H](Cl)c2sc(Br)cc2Br)c(Br)c1Cl 2001992335 KTIPWLAXTXTNOP-ZCFIWIBFSA-N 483.838 5.751 50 10 JKGE COc1sc([C@@H](Br)c2cccc(Br)c2C)cc1Br 2034630900 ZYBFXLBLQXOEJX-LBPRGKRZSA-N 455.009 6.074 50 10 JKGE CCN(CC)c1ccc(C=C2CCC(C=C(C#N)c3nc4ccccc4s3)=C2N2CCOCC2)cc1 2042453722 ZTJOUKDDAYRXCL-UHFFFAOYSA-N 496.680 6.513 50 10 JKGE Clc1cscc1COc1c(Br)cc(CBr)cc1Br 2056766697 QPMBZMYMQRMBEW-UHFFFAOYSA-N 475.427 6.400 50 10 JKGE CN(CC1CC(Br)C1)C(=O)c1ccc(NC(=O)OC(C)(C)C)c(Br)c1 2076220128 IKRGPXHTBUZOAD-UHFFFAOYSA-N 476.209 5.042 50 10 JKGE COc1c(Cl)cc(Br)cc1[C@H](Cl)c1sccc1I 2082866196 OFHIRQWGVJSRAU-JTQLQIEISA-N 477.976 6.105 50 10 JKGE CC(C)(CC(F)(F)F)[C@@H](Br)c1ccc(Br)cc1Br 2083318161 NGPPSIJAPVQEQK-JTQLQIEISA-N 452.934 6.626 50 10 JKGE CC(C)(CBr)[C@H]1CCCN1C(=O)c1cc(Br)sc1Br 2099631560 UMYHDXPNWSYTNE-SECBINFHSA-N 474.056 5.299 50 10 JKGE CC(C)CN1C[C@@H](Br)[C@@H](Cc2ccc(Br)cc2Br)C1 2100722717 MXKMJUDAOMIERH-SWLSCSKDSA-N 454.044 5.105 50 10 JKGE O=C(NC[C@H]1CCCC[C@H](Br)C1)c1cc(Br)c(Br)s1 2107481057 NSXPWUZMAZCBPU-IUCAKERBSA-N 474.056 5.347 50 10 JKGE Cc1cc(Br)c([C@@H](Br)[C@H]2COCCC2(F)F)cc1Br 2110385894 AKCOPEBRQXKPHV-BXKDBHETSA-N 462.954 5.628 50 10 JKGE Clc1c(Br)cccc1C[C@H](CBr)c1ccccc1Br 2110525719 GXSCPFKEMTVEKR-LLVKDONJSA-N 467.426 6.586 50 10 JKGE Cc1cc(Br)c([C@@H](Br)[C@@]2(C)CCCC2(F)F)cc1Br 2111642853 HDSKHBJCZHZKDY-CHWSQXEVSA-N 460.982 6.782 50 10 JKGE Cc1cc(Br)c(C)c([C@H](Br)[C@H]2CC[C@H](C)CC2)c1Br 2136377456 PEDWQIMJYOOLNT-VYROHLMNSA-N 453.056 7.091 50 10 JKGE Cc1c(Br)ccc([C@H](Br)C[C@H]2CCCOCC2)c1Br 2138859600 CCPSSAJYEVUXGC-SMDDNHRTSA-N 455.028 6.163 50 10 JKGE O=C(c1csc(Br)c1Br)N1[C@@H](CBr)CCC12CCC2 2140840381 IMNSWHAHBIJGIS-MRVPVSSYSA-N 472.040 5.195 50 10 JKGE Cc1ccc(C)c(C[C@H](Br)c2ccc(Br)cc2I)c1 2142278957 KAXDBHZFEIHSLA-HNNXBMFYSA-N 494.008 6.349 50 10 JKGE CC(C)(C)C[C@H](CBr)CNC(=O)c1cccc(Br)c1Br 2156324282 RVNLPJRNFIEENG-SNVBAGLBSA-N 470.043 5.389 50 10 JKGE CC1(C)[C@H](Cn2c(CCl)nc3cc(I)ccc32)CCN1Cc1ccccc1 2163193950 GIOYSTWYPFGOPK-KRWDZBQOSA-N 493.820 5.680 50 10 JKGE FC1(F)[C@@H]2CC(COc3c(Br)cc(Br)cc3CBr)C[C@H]21 2164326189 DTPAMEQXMDIGRH-GHMZBOCLSA-N 474.965 5.777 50 10 JKGE ClCc1nc2cc(I)ccc2n1[C@@H]1C[C@@H]2C[C@@H](OCc3ccccc3)C[C@@H]21 2190562859 ZGBPTMPIGQTIPP-CQSHLORDSA-N 492.788 5.936 50 10 JKGE Cc1cc(Br)c(C)c([C@@H](Br)C2C[C@H]3CC[C@H](C2)C3)c1Br 2201066966 GNACCCDHLWUBQR-PRXAMGSTSA-N 465.067 7.091 50 10 JKGE Cc1cc(Br)c(C)c([C@@H](Br)C2CC3(C2)CC3(C)C)c1Br 2201072891 KTDMLSMFAJJWKP-XNYLIXPXSA-N 465.067 7.091 50 10 JKGE Cc1cc([C@H](Br)c2c(Br)cc(F)c(Cl)c2F)ccc1Br 2201619188 OOQVQKZRZGZXOY-LBPRGKRZSA-N 489.379 6.936 50 10 JKGE Clc1cc(Br)c([C@H](Br)[C@H]2C[C@@H]2Br)c(Cl)c1Cl 2210136094 WKOUUCOXEMPANK-MSIVUJLLSA-N 472.229 6.629 50 10 JKGE Cc1c(Br)sc([C@H](Cl)c2csc(Br)c2Br)c1C 2213621126 WELKVXJCZZQPII-MRVPVSSYSA-N 479.484 7.042 50 10 JKGE Cc1ccc([C@@H](Br)c2ccc(Cl)cc2Cl)cc1I 2217860092 ADFOCLKWBUPDER-CQSZACIVSA-N 455.948 6.391 50 10 JKGE C[C@@H](C[C@H](Br)c1c(Br)cc(Cl)c(Cl)c1Cl)C(F)(F)F 2224317974 SKCYDOOYCIZVFJ-WHFBIAKZSA-N 463.346 7.434 50 10 JKGE Clc1ccccc1C(CBr)(CBr)Cc1nscc1Br 2227093209 ZLKZBMPJGFYZOH-UHFFFAOYSA-N 488.470 5.829 50 10 JKGE Cc1cc(Br)c([C@H](Br)C[C@H]2OCC[C@H]2C)c(C)c1Br 2227347067 GRDXDMWJLNPWNI-BZHVJNSISA-N 455.028 6.080 50 10 JKGE Cc1cc(Br)c([C@@H](Br)C[C@@H](C)C(F)(F)F)c(C)c1Br 2227360120 PBBNRKWAIXVYOG-XCBNKYQSSA-N 466.961 6.853 50 10 JKGE Fc1cc(Br)c(Br)cc1[C@H](Br)C1C[C@H]2COC[C@H](C1)C2 2233981597 KPYSBBVHWZCWTB-KOSWAMCASA-N 471.002 5.849 50 10 JKGE Cc1sc([C@@H](Br)c2cc(Br)cc3c2OCC3)c(C)c1Br 2234469583 KFTFLGUNLWSMOT-ZDUSSCGKSA-N 481.047 6.309 50 10 JKGE Cc1ccc(Cl)c([C@@H](Br)c2c(Br)cc(C)c(Br)c2C)c1 2235603267 AKKSDFOHIHDNFZ-MRXNPFEDSA-N 481.453 7.275 50 10 JKGE Fc1cc(F)c([C@H](Cl)c2ccc(I)c(Cl)c2)c(F)c1Br 2236101460 AJECYKYMSVMSKG-GFCCVEGCSA-N 495.891 6.453 50 10 JKGE Fc1cc(F)c([C@H](Cl)c2cccc(F)c2I)c(F)c1Br 2236118113 QDNMPJGYBVMKEZ-LLVKDONJSA-N 479.436 5.938 50 10 JKGE CC(C)CCC[C@H](C)CCO[C@H]1CN(C(=O)OC(C)(C)C)C[C@@H]1I 2248820066 AQZLJZCZPWVOQZ-ULQDDVLXSA-N 453.405 5.278 50 10 JKGE BrC[C@H](OC1CCN(Cc2ccccc2)CC1)c1cccc(Br)c1 2250386382 KXVQJMDNKHDCAP-FQEVSTJZSA-N 453.218 5.566 50 10 JKGE Cl[C@H](Cc1cc(Br)cc(Br)c1)c1cc(Br)sn1 2252830434 QGBPPMMDMPIHPO-SECBINFHSA-N 460.416 5.953 50 10 JKGE COc1ccc([C@@H](Br)c2ccccc2Br)c(Br)c1Cl 2268263712 KXHQEINMVWQSMG-LBPRGKRZSA-N 469.398 6.358 50 10 JKGE Clc1ccc(I)cc1OC[C@H](CBr)c1ccccc1 2272689581 GLQMUHKLKQDUEA-LBPRGKRZSA-N 451.529 5.502 50 10 JKGE COc1c(Br)cc(Cl)cc1[C@H](Br)c1cc(Br)n(C)n1 2277884133 PKRJWZACFADUBK-NSHDSACASA-N 473.390 5.091 50 10 JKGE Clc1ccc([C@H](Cl)c2cc(Br)c3c(c2)CCO3)cc1I 2283574897 RQZJLHLRXYXRPR-AWEZNQCLSA-N 483.958 5.970 50 10 JKGE COc1ccc([C@@H](Br)C23CCC(OC)(CC2)C3)cc1I 2285004876 DAMRWMMNLDHTPO-QQFBHYJXSA-N 451.142 5.085 50 10 JKGE COc1ccc([C@@H](Br)c2cc(F)c(Cl)cc2F)cc1I 2285015028 WDHRVHHBUQCIEW-CQSZACIVSA-N 473.482 5.716 50 10 JKGE ClCCc1nc2cnc(C3CCC3)nc2n1CCCN(Cc1ccccc1)Cc1ccccc1 2286682237 NHGIHHLORMKPKR-UHFFFAOYSA-N 474.052 5.968 50 10 JKGE Cc1ccc(C[C@@H]2SC(=C(C#N)C(=O)Nc3ccc(Cl)cc3)N(c3ccc(F)cc3)C2=O)cc1 2293039217 PYDANSOGYKCDRV-QHCPKHFHSA-N 491.975 5.853 50 10 JKGE Cc1cccc(C)c1OCCOc1ccc(Br)cc1C=C(C#N)C(=O)Nc1ccccc1 2293104053 VPWNEODYAMWKFF-UHFFFAOYSA-N 491.385 6.069 50 10 JKGE COc1ccc(-c2nn(-c3ccccc3)cc2C=C(C#N)C(=O)Nc2ccccc2OC)cc1 2293665699 WIORXENNGCJPGA-UHFFFAOYSA-N 450.498 5.102 50 10 JKGE COc1cc(C=C(C#N)c2ccc([N+](=O)[O-])cc2)ccc1OCc1ccc(Br)cc1 2293783266 XEOPARUUWBKDFV-UHFFFAOYSA-N 465.303 6.009 50 10 JKGE COc1cc(C=C(C#N)C(=O)Nc2cccc(Cl)c2)ccc1OCc1ccc(C(=O)O)cc1 2294155951 NZMZNCIJRDLYOQ-UHFFFAOYSA-N 462.889 5.171 50 10 JKGE CO[C@@H]1C[C@H]([C@@H](Br)Cc2cc(Br)cc(Br)c2)C12CCC2 2295329717 LZOKPBWGCMKNKX-QLFBSQMISA-N 467.039 5.723 50 10 JKGE Cc1cc(=O)oc2cc(NC=C(C#N)c3nc(-c4ccc(Br)cc4)cs3)ccc12 2295956278 UKRCRDYYWFZFDO-UHFFFAOYSA-N 464.344 5.964 50 10 JKGE CC(C)c1ccc(C=C(C#N)C(=O)Nc2ncc(Cc3cc(Cl)ccc3Cl)s2)cc1 2296833104 BSTKMNABKNTEAJ-UHFFFAOYSA-N 456.398 6.710 50 10 JKGE N#CC(=Cc1ccc(I)cc1)c1nc(-c2ccc(Br)cc2)cs1 2297213733 RSFVBWIUEHBBKE-UHFFFAOYSA-N 493.167 6.241 50 10 JKGE COc1cc(C=C(C#N)c2ccc(C#N)cc2)cc(Br)c1OCc1ccc([N+](=O)[O-])cc1 2297371148 SZCMKUYEZDJDNM-UHFFFAOYSA-N 490.313 5.881 50 10 JKGE CC1(C)CCC[C@H]1[C@H](Br)c1cc(Br)ccc1OCc1ccccc1 2299535314 NOFHTOUNUQMPAH-AZUAARDMSA-N 452.230 7.290 50 10 JKGE CN[C@@H](c1c(Cl)cc(Br)c(F)c1Br)[C@@H]1C[C@@H]1Br 2300177565 XYKSXNUORZBCAH-QWMRMABFSA-N 450.371 5.048 50 10 JKGE Clc1ccc([C@H](Cl)c2cc(Cl)c(Br)s2)c(I)c1 2301796040 IKIVOJCPZSJFDV-JTQLQIEISA-N 482.395 6.750 50 10 JKGE N#CC(=Cc1ccc(OCc2c(Cl)cccc2Cl)cc1)c1nn(-c2ccccc2)c(N)c1C#N 2313543668 ALFVCGPEDHKKEB-UHFFFAOYSA-N 486.362 6.276 50 10 JKGE CCOc1cc(C=C(C#N)C(=O)Nc2ccccc2)ccc1OCc1ccc(Br)cc1 2313631013 ZYDSYCOKLMOJOQ-UHFFFAOYSA-N 477.358 5.972 50 10 JKGE C[C@@H]1Oc2ccccc2C=C1C=C(C#N)c1nc(-c2ccccc2)c(NC(=O)c2ccccc2)s1 2314433959 YKNJSIGBCBEIKI-IBGZPJMESA-N 475.573 6.834 50 10 JKGE CC1(C)OCCC[C@H]1[C@H](Br)c1cc(Br)ccc1OCc1ccccc1 2314491393 QWRZNHDPWSAOQX-AZUAARDMSA-N 468.229 6.669 50 10 JKGE CCOc1cc(C=C2C(=O)N([C@H](C)CC)C(=O)C(C#N)=C2C)ccc1OCc1ccc(Cl)cc1 2314611550 WYCXEEDTMUZNKR-QGZVFWFLSA-N 478.976 5.708 50 10 JKGE CCOc1cc(C=C2C(=O)N(Cc3ccc(C)cc3)C(=O)C(C#N)=C2C)ccc1OCC(C)C 2314616634 GBJUIKDOVOZVAM-UHFFFAOYSA-N 458.558 5.221 50 10 JKGE C[C@@H]1CC[C@H]([C@H](Br)c2c(Cl)cc(Br)c(F)c2Br)C1 2315441025 BDSGGEPJHMAPNI-BUYFANAVSA-N 463.410 6.876 50 10 JKGE Cc1c(Cl)cc(C(=O)N[C@@H](CCBr)COCc2ccccc2)cc1Br 2320356946 UHQKONFDPKKLAC-INIZCTEOSA-N 489.635 5.511 50 10 JKGE Cc1cccc(N2CCN(C=C(C#N)C(=O)Nc3ccc(Oc4ccccc4)cc3)CC2)c1C 2320906843 YIFKHYHXARCFIU-UHFFFAOYSA-N 452.558 5.264 50 10 JKGE CC(C)(C)OC(=O)N1CC[C@@H](C2CCC3(CC2)CC[C@](C)(CI)O3)C1 2328002152 PGUONHWCMHKHKC-DNUDUWDPSA-N 463.400 5.177 50 10 JKGE CCOC(=O)c1c(-c2ccc(Cl)cc2)csc1NC(=O)C(C#N)=Cc1ccc(C)cc1 2329632769 SEPAMMQMDCJAJU-UHFFFAOYSA-N 450.947 6.099 50 10 JKGE CC(C)(C)C(=O)C(C#N)=Cc1cc(Br)ccc1OCc1ccc(Cl)c(Cl)c1 2331054824 DIQIWFMJYNANKH-UHFFFAOYSA-N 467.190 6.857 50 10 JKGE C[C@@H](c1ccccc1)N1C[C@@H](C(O)=C(C#N)c2nc(-c3ccc(Cl)cc3Cl)cs2)CC1=O 2331250972 CMEOYVKFMAUABA-HOCLYGCPSA-N 484.408 6.519 50 10 JKGE COc1ccc(Cl)cc1N1C[C@H](C(O)=C(C#N)c2nc(-c3cccs3)cs2)CC1=O 2331326851 WDKJVGVVSKNGOV-GFCCVEGCSA-N 457.964 5.379 50 10 JKGE COc1ccc(-c2csc(C(C#N)=C(O)CCCCCNC(=O)c3ccccc3)n2)cc1F 2331337715 UXIZZVFYILZKFT-UHFFFAOYSA-N 465.550 5.741 50 10 JKGE CC[C@H](C)N1C(=O)c2ccc(C(O)=C(C#N)c3nc(-c4ccc(C)c(C)c4)cs3)cc2C1=O 2331382579 JEQIZJOWJBELBH-INIZCTEOSA-N 457.555 5.771 50 10 JKGE COc1ccc([C@H](Br)c2ccc(OCc3ccccc3)cc2Br)c(Cl)c1 2336040750 INQGGWLPQIPOAE-OAQYLSRUSA-N 496.626 7.174 50 10 JKGE Brc1ccc(OCc2ccccc2)c([C@@H](Br)C[C@H]2CCCCC23CC3)c1 2336044834 QXULISWKYSNLHA-NQIIRXRSSA-N 478.268 7.825 50 10 JKGE Brc1ccc(OCc2ccccc2)c([C@H](Br)[C@]23CCCC[C@@H]2CCC3)c1 2336052126 YDFDTOZDKRJGGU-LEOXJPRUSA-N 478.268 7.825 50 10 JKGE Brc1cc(OCc2ccccc2)ccc1[C@@H](Br)[C@H]1COC2(CCC2)CO1 2338790020 JUPLRDOUYZBVOB-WOJBJXKFSA-N 482.212 5.802 50 10 JKGE CCC1([C@@H](Br)c2c(C)cc(Br)c(OC)c2Br)CCC1 2339656054 KCEYVOUEEOMEPA-AWEZNQCLSA-N 455.028 6.545 50 10 JKGE COc1c(Br)cc(C)c([C@@H](Br)[C@]2(Cl)CC2(C)C)c1Br 2339660125 ZROLADNQNXXKFA-TZMCWYRMSA-N 475.446 6.372 50 10 JKGE Fc1cccc(CBr)c1OCc1ccc(Cl)cc1I 2340108932 ADFLCELXRMLVTD-UHFFFAOYSA-N 455.492 5.558 50 10 JKGE CC1(C)CC12CC(CBr)(Cc1ccc(Cl)cc1I)C2 2341044894 CBUHJXRMHWHGLJ-UHFFFAOYSA-N 453.589 6.079 50 10 JKGE Clc1cc(Cl)cc(CC[C@@H](Br)c2sc(Cl)cc2Br)c1 2341117135 RMHSNSDHAKWILJ-SNVBAGLBSA-N 463.449 7.540 50 10 JKGE Cc1cc(CBr)ccc1OCc1cc(I)ccc1Br 2341780796 RGDQWSGALAQQIT-UHFFFAOYSA-N 495.980 5.836 50 10 JKGE CC(C)(C)OC(=O)N1CCC[C@@](CI)(OCCC2CCCCCCC2)C1 2342138808 NNDFIBGILNZKJJ-NRFANRHFSA-N 479.443 5.958 50 10 JKGE Brc1cc(CN2[C@H]3CCC[C@H]2CC(Br)C3)ccc1I 2349849407 AYKYDYCSVCLVQR-STQMWFEESA-N 499.028 5.334 50 10 JKGE COc1cc(Br)c(OC[C@@]2(CBr)CC2(F)F)cc1Br 2351789471 IOLCKVYGHVHRDS-NSHDSACASA-N 464.926 5.019 50 10 JKGE C[C@@H]1C[C@H]2C[C@]([C@@H](Br)c3c(Br)cc(Cl)c(Cl)c3Cl)(C2)O1 2368713390 OICHCIKHOOYNPY-BVDAKZFTSA-N 463.424 6.803 50 10 JKGE CCc1ccc([C@H]2C(C#N)=C(N)N(c3cccc(Cl)c3)C3=C2C(=O)C[C@@H](c2ccccc2)C3)s1 9981602 WDINAACLTSBIRY-HFJWLAOPSA-N 486.040 6.662 50 10 JKGE CCSc1sc(CC)cc1[C@@H]1C(C#N)=C(N)N(c2ccccc2Cl)C2=C1C(=O)CC(C)(C)C2 9981886 REDUVRDJGCAHCZ-JOCHJYFZSA-N 498.117 7.017 50 10 JKGE CCCCOc1ccc(C(=O)NNC(=O)c2ccc(OCc3ccccc3)cc2)cc1Br 14041312 VCHGEWQZSQFDLU-UHFFFAOYSA-N 497.389 5.282 50 10 JKGE C/C(=N\NC(=O)[C@H]1C[C@@H]1c1ccccc1)c1ccc(NC(=O)c2ccc(Cl)cc2Cl)cc1 20157967 VCWXLGAMONAJQH-KWGWZXMASA-N 466.368 5.890 50 10 JKGE N#C/C(=C\c1ccc(-c2cccc(C(F)(F)F)c2)o1)c1nc(-c2cccc3ccccc23)cs1 28356486 RTSARTRCMBHIBD-XMHGGMMESA-N 472.491 8.306 50 10 JKGE CCCOc1ccc(/C=C(\C#N)C(=O)Nc2scc(-c3ccc(CC)cc3)c2C(=O)OCC)cc1 33347212 BMTWDZSUXSGFNU-CJLVFECKSA-N 488.609 6.489 50 10 JKGE Cc1cc(/C=C(/C#N)C(=O)Nc2ccccc2C(F)(F)F)c(C)n1-c1ccc(Br)cc1 33479682 CPPZEVWDVMZSPH-ATVHPVEESA-N 488.307 6.421 50 10 JKGE CCCCOc1ccc(/C=C(/C#N)C(=O)Nc2sc3c(c2C(=O)OC)CC[C@@H](C(C)(C)C)C3)cc1 33596180 NOCLUUHOJMFPKH-RMWKRFJVSA-N 494.657 6.410 50 10 JKGE CS(=O)(=O)c1ccc([C@H](Br)c2cc(Br)sc2Br)cc1 40288810 QEHIKBZIYMRYKY-NSHDSACASA-N 489.048 5.161 50 10 JKGE O=C(NNc1ncnc(Nc2cc(Cl)ccc2Cl)c1[N+](=O)[O-])c1ccc(Cl)cc1Cl 40646588 CEDQOJSKYNCALK-UHFFFAOYSA-N 488.118 5.499 50 10 JKGE Cc1c(C(=O)Nc2ccc(Cl)cc2Cl)oc2c1/C(=N/NC(=O)c1ccc(F)cc1)CCC2 40811858 MFQRTXWJKANVIR-MTDXEUNCSA-N 474.319 5.757 50 10 JKGE COc1ccccc1C(=O)N/N=C1\CCCc2oc(C(=O)Nc3cccc(Cl)c3C)c(C)c21 40813154 VXGJBFPQHOKBJD-TURZUDJPSA-N 465.937 5.281 50 10 JKGE CCOc1ccc(/C=C(\C#N)C(=O)Nc2scc(-c3ccc(CC)cc3)c2C(=O)OC)cc1 40939448 ONZZMCPIRQLLQP-XSFVSMFZSA-N 460.555 5.708 50 10 JKGE Brc1ccc(Br)c([C@@H](Br)c2ccc(Br)s2)c1 71096310 ONGUSAPIZGDNHQ-LLVKDONJSA-N 489.852 6.520 50 10 JKGE CCCCC1CCC(C(=O)N2c3ccc(C[C@@H](Br)CC(C)C)cc3C[C@H]2C)CC1 71436770 CMPJNRIPMZALEV-WGYUTPKQSA-N 462.516 7.313 50 10 JKGE CCCCN(C(=O)CCl)[C@H](C(=O)NC1CCC(C)CC1)c1ccc(OCCC)c(OC)c1 97914715 XKBHJSXXKZNAPT-IWRZYZMASA-N 467.050 5.088 50 10 JKGE O=C1OC(=O)[C@H]2[C@H]1[C@@]1(c3ccccc3)C(=O)[C@]2(c2ccccc2)C(c2ccccc2)=C1c1ccccc1 100078013 RRYGIAWZXXLJOD-CUTKCQJKSA-N 482.535 5.386 50 10 JKGE CCCCCCCCCCC[C@@H](Br)c1cc(Br)ccc1Br 115860848 FOFPGHHBWCQHOO-QGZVFWFLSA-N 483.126 8.569 50 10 JKGE Cc1cc(Br)c([C@H](Cl)c2sccc2Br)cc1Br 128724863 GDZMHGBPHAPHOV-NSHDSACASA-N 459.428 6.672 50 10 JKGE Cc1ccc([C@H](Br)c2cc(Br)ccc2Br)cc1Br 130443075 MCZWRTIUPFOSGE-AWEZNQCLSA-N 497.850 6.767 50 10 JKGE O=S(=O)(c1c(Cl)cc(Br)cc1Cl)N1CCCC[C@@H]1CCBr 160420597 NPOWECCIHMZVPZ-SNVBAGLBSA-N 480.049 5.084 50 10 JKGE Fc1cccc([C@@H](Br)c2cc(Br)ccc2Br)c1Cl 165431221 DPBDCMMEFTUIJU-GFCCVEGCSA-N 457.362 6.488 50 10 JKGE C[Si](C)(C)N[C@H](Cc1ccc(O[Si](C)(C)C)c(O[Si](C)(C)C)c1)C(=O)O[Si](C)(C)C 195789032 SSTPUELEMUKSOG-GOSISDBHSA-N 485.922 5.828 50 10 JKGE CCCCCCCOc1ccc(/C=C2\C(=O)N(Cc3ccc4c(c3)OCO4)C(=O)C(C#N)=C2C)cc1 214389696 YFJJRHDQFZCPTN-IWIPYMOSSA-N 486.568 5.557 50 10 JKGE COc1ccc([C@H](Br)c2ccc(Br)c(Cl)c2)c(OC)c1Cl 224668014 XRDZMENGPUAYLU-CYBMUJFWSA-N 454.973 6.257 50 10 JKGE COc1cc(Br)ccc1[C@@H](Br)c1cc(Br)c(C)s1 227832882 KSHDCEWLVFKJLZ-CYBMUJFWSA-N 455.009 6.074 50 10 JKGE O=C(NC[C@H]1CCCC[C@@H]1CBr)c1cc(Br)cc(Br)c1 232461606 QJDOHERBGVICTA-GHMZBOCLSA-N 468.027 5.143 50 10 JKGE COc1cc(F)c(Br)cc1[C@@H](Br)c1cccc(Br)c1Cl 234866699 ZZDUUIYDBGKYIL-ZDUSSCGKSA-N 487.388 6.497 50 10 JKGE Cc1cc([C@H](Br)c2cc(Br)sc2Br)sc1Cl 235857842 VMHBENKDPZYWAE-MRVPVSSYSA-N 465.457 6.781 50 10 JKGE CCC[C@H](C)c1ccc(OCC(=O)NN=Cc2cn(-c3ccccc3)nc2-c2ccccc2)cc1 252595087 BYPZOQVFORDNKS-QFIPXVFZSA-N 466.585 5.972 50 10 JKGE 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 254307472 GCLRJMLUSNRQMO-KRTKEWGUSA-N 451.577 8.871 50 10 JKGE COc1ccc(-c2nnc(SCC(=O)NN=Cc3cccc4ccccc34)n2-c2ccccc2)cc1 254441329 LDIWPVJWYQZSNX-UHFFFAOYSA-N 493.592 5.339 50 10 JKGE Cc1ccc(COc2ccc(C(=O)NN=Cc3ccc(OC(=O)c4ccccc4C)cc3)cc2)cc1 254478369 UWMXJJIEUGMKHC-UHFFFAOYSA-N 478.548 5.866 50 10 JKGE Cc1cc([N+](=O)[O-])ccc1-c1ccc(C=NNC(=O)COc2ccc(-c3ccccc3)cc2)o1 254559399 WSEYYFXCRLXESF-UHFFFAOYSA-N 455.470 5.359 50 10 JKGE Cc1ccc(C(=O)Oc2ccc(C=NNC(=O)c3ccccc3OCc3ccccc3)cc2)cc1 254624930 SWAMIFBFPWIIOJ-UHFFFAOYSA-N 464.521 5.557 50 10 JKGE N#C/C(N=Cc1cc(Cl)cc(Cl)c1O)=C(/C#N)N=Cc1cc(Cl)cc(Cl)c1O 254736450 BDTLTMZQHICIIY-JQGKVPDASA-N 454.100 5.508 50 10 JKGE 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 257446738 IOFXIXOKOAYADV-IOKTWYJESA-N 470.694 6.580 50 10 JKGE biogenic O=C(NC[C@H]1CCC[C@@H](CBr)C1)c1cc(Br)cc(Br)c1 312302679 OBGSCZXVFUOLDG-MNOVXSKESA-N 468.027 5.143 50 10 JKGE ClCCc1nc2ccccc2n1-c1ccc(Br)c(I)c1 312600280 OXJINANXMQGBSR-UHFFFAOYSA-N 461.528 5.174 50 10 JKGE O=C(NC1(CCBr)CCCCC1)c1cc(Br)c(Br)s1 687326737 DMSPAIPFTJVWKZ-UHFFFAOYSA-N 474.056 5.491 50 10 JKGE Clc1cccc(C[C@@H](Cl)c2ccc(I)c(Br)c2)c1 721612222 IBOWMUIZFVLLOK-CYBMUJFWSA-N 455.948 6.230 50 10 JKGE Cc1sc([C@H](Br)c2ccc(F)c(Br)c2)c(C)c1Br 724928376 LXQQRKKGVSEFRG-GFCCVEGCSA-N 457.000 6.513 50 10 JKGE N#Cc1cccc(NC(=O)[C@H](c2cccs2)N(C(=O)CCl)c2cccc(C(F)(F)F)c2)c1 725237488 ISHJHDVVQWNOES-FQEVSTJZSA-N 477.895 5.590 50 10 JKGE CCN(CC)c1ccc(C=NNC(=O)/C(=C/C=C/c2ccccc2)NC(=O)c2ccccc2)cc1 1082989133 YEZWKVTWAFHDED-SMXJWMKASA-N 466.585 5.010 50 10 JKGE COc1cc(/C=C(/C#N)C(=O)Nc2cccc(C)c2C)ccc1OCc1ccc(Cl)c(Cl)c1 1083998440 CVVUTWUWJOGBMS-JAIQZWGSSA-N 481.379 6.744 50 10 JKGE Cc1ccc(-n2c(C)c(Br)c(C=NNC(=O)CCSc3ccccc3)c2C)c(C)c1 1084142614 YEOXAAHFIJVREY-UHFFFAOYSA-N 484.463 6.106 50 10 JKGE COc1cc(C=NNC(=O)CSc2nc3ccccc3o2)ccc1OCc1ccccc1Cl 1084501100 FGLKOVRMDUZXMD-UHFFFAOYSA-N 481.961 5.311 50 10 JKGE CCc1ccccc1NC(=O)/C(C#N)=C\c1ccccc1OCc1ccc(Cl)cc1Cl 1084509504 WOJJZJHACSZJOG-MOSHPQCFSA-N 451.353 6.680 50 10 JKGE Cc1c(C(=O)Oc2cccc3cccnc23)oc2c1C(=NNC(=O)c1ccc(Cl)cc1)CCC2 1772744022 PWEONKKLAZVANP-UHFFFAOYSA-N 473.916 5.479 50 10 JKGE COc1ccccc1C(=O)NN=C1CCCc2oc(C(=O)Nc3cc(Cl)ccc3C)c(C)c21 1772745596 BXYUNYRURFAOAB-UHFFFAOYSA-N 465.937 5.281 50 10 JKGE CCOc1cc([C@H]2C(C#N)=C(N)Oc3c2c(C(F)(F)F)nn3-c2cccc3ccccc23)ccc1O 1865681240 IMSLTTRPDTXSCE-NRFANRHFSA-N 492.457 5.367 50 10 JKGE N#CC1=C(N)Oc2c(c(C(F)(F)F)nn2Cc2ccccc2F)[C@@H]1c1c(Cl)cccc1Cl 1865686486 WHXXFDRAKISXPP-HNNXBMFYSA-N 483.252 5.614 50 10 JKGE CCOc1c(OC)cccc1[C@@H]1C(C#N)=C(N)Oc2c1c(-c1ccccc1)nn2-c1ccccc1 1865692522 GSOMVJGMVKZTII-HSZRJFAPSA-N 464.525 5.165 50 10 JKGE CCCCOc1ccc([C@@H]2C(C#N)=C(N)Oc3c2c(CCC)nn3-c2ccc(OC)cc2)cc1OC 1865696735 JVMLHLVUONBHEW-RUZDIDTESA-N 488.588 5.239 50 10 JKGE CCCc1nn(-c2cccc3ccccc23)c2c1[C@@H](c1cccc(OC)c1OC)C(C#N)=C(N)O2 1865700704 BMMOEXVIGRLKJL-DEOSSOPVSA-N 466.541 5.213 50 10 JKGE CCN(CC)c1ccc([C@@H]2C(C#N)=C(N)Oc3c2c(C(F)(F)F)nn3-c2ccccc2Cl)cc1 1865702590 XMHAMAJNBZQNQJ-LJQANCHMSA-N 487.913 5.609 50 10 JKGE CCCc1nn(-c2cccc3ccccc23)c2c1[C@@H](c1ccc([N+](=O)[O-])cc1)C(C#N)=C(N)O2 1865713249 UUOJURNZIWLIOB-QHCPKHFHSA-N 451.486 5.104 50 10 JKGE Cc1nc(-c2ccc(Cl)cc2Cl)ccc1C(=O)N/N=C\c1ccccc1Br 1865760985 ZYYSJDZHMZXTKS-MYKKPKGFSA-N 463.162 5.890 50 10 JKGE CCOC(=O)c1c(-c2ccc([N+](=O)[O-])cc2)csc1NC(=O)/C(C#N)=C/c1ccc(C)cc1 1866127041 DWBHTLVBBHAJAN-LDADJPATSA-N 461.499 5.354 50 10 JKGE C[C@@H](Cc1ccc(F)cc1)C(=O)N[C@H](Cc1ccc(F)cc1)C(=O)Nc1ccc(SC#N)cc1 1866821809 MDFAZMSGOGFKMP-BXKMTCNYSA-N 479.552 5.083 50 10 JKGE COc1cc2nc(/C(C#N)=C/c3ccc(OCc4ccccc4)c(OC)c3)nc(O)c2cc1OC 1872727691 SXOUUMSSTBRZNF-YBFXNURJSA-N 469.497 5.004 50 10 JKGE CCCCc1ccc(-c2csc(/C(C#N)=C(\O)CCCOc3cc(C)c(Cl)c(C)c3)n2)cc1 1872745089 VRFWHJGYDVNHCD-BZZOAKBMSA-N 481.061 8.075 50 10 JKGE Cc1cc(OCCC/C(O)=C(\C#N)c2nc(-c3ccc(C(C)(C)C)cc3)cs2)cc(C)c1Cl 1872751205 WQPOMOMFHJCYET-GYHWCHFESA-N 481.061 8.030 50 10 JKGE COc1ccc(-c2csc(/C(C#N)=C(\O)c3c(Cl)ccc(Cl)c3OC)n2)cc1F 1872752692 ODDMGIAAWJBDLK-WQRHYEAKSA-N 451.306 6.223 50 10 JKGE CCOc1ccc(OCC)c(-c2csc(/C(C#N)=C(\O)c3c(Cl)ccc(Cl)c3Cl)n2)c1 1872755127 ZGDSUMINEWJTMM-STZFKDTASA-N 495.815 7.518 50 10 JKGE CCCCCOc1ccc(/C=C(C(/O)=C(\C#N)c2nc(C)cs2)\c2ccccc2)cc1OC 1872757496 IWHJNEIMMMSYHD-SKSDSGLOSA-N 460.599 7.063 50 10 JKGE CC[C@H](C)N1C(=O)c2ccc(/C(O)=C(\C#N)c3nc(-c4cc(Cl)ccc4OC)cs3)cc2C1=O 1872758620 IQUBYVPENNZPMC-XJGUCPAXSA-N 493.972 5.816 50 10 JKGE CCCCOc1ccc(/C=C(\C#N)c2nc(-c3cc(Cl)c(OC)c(Cl)c3)cs2)cc1 1872794642 NUPWVUBWUGWNCR-LICLKQGHSA-N 459.398 7.369 50 10 JKGE CSCC[C@H](NC(=O)OC(C)(C)C)C(=O)N/N=C/c1cccc(OCc2ccc(Cl)cc2)c1 1873795141 TWWKRLRRPMMQMU-YYHBXHNPSA-N 492.041 5.016 50 10 JKGE COCCC1(COc2c(Br)cc(CBr)cc2Br)CC1 1882355184 QBXPAIBEBLNKBC-UHFFFAOYSA-N 457.000 5.302 50 10 JKGE Clc1sccc1[C@@H](Br)c1cc(Br)sc1Br 1909314227 IGOBPCMBPILYDO-SSDOTTSWSA-N 451.430 6.472 50 10 JKGE Cc1nsc(Br)c1[C@@H](Br)c1cc2c(cc1Br)OCCO2 1912983020 UIKYEHGHJYMNRP-LBPRGKRZSA-N 484.007 5.232 50 10 JKGE CC[C@H](Br)CN(Cc1ccccc1)S(=O)(=O)c1ccc(Cl)c(Br)c1 1915076828 DSIHXSRQFIUABZ-AWEZNQCLSA-N 495.664 5.467 50 10 JKGE CC[C@@H](C)c1ccc(S(=O)(=O)N(Cc2ccccc2)[C@@H](CBr)C2CC2)cc1 1915185387 AKIRLINRSSQPEC-VGSWGCGISA-N 450.442 5.565 50 10 JKGE CC(C)[C@H](CBr)N(Cc1ccccc1)C(=O)c1cccc(F)c1Br 1915297424 GZZLKIHZDQDNFU-KRWDZBQOSA-N 457.181 5.650 50 10 JKGE BrCC1(N(CCOc2ccc(Br)cc2)Cc2ccccc2)CCC1 1915741126 KOVFOIAJEJHEJF-UHFFFAOYSA-N 453.218 5.648 50 10 JKGE CC(C)(C)c1cccc([C@H](Br)c2sc(Br)cc2Br)c1 1922898328 URFVTZCUSNHXCM-ZDUSSCGKSA-N 467.064 7.055 50 10 JKGE CC(C)(C)OC1CC([C@@H](Br)c2sc(Br)cc2Br)C1 1922911469 CNLLNLKVUQQWDV-OIAXGBPSSA-N 461.057 6.303 50 10 JKGE Cc1c(Br)sc([C@@H](Cl)C(C(F)(F)F)C(F)(F)F)c1Br 1922953349 CBPXYGGGWKFXCS-SCSAIBSYSA-N 454.455 6.602 50 10 JKGE C[C@@H](c1ccncc1Br)[C@@H](Cl)c1cc(Br)sc1Br 1924037515 ZLJHMEIQIWCRHJ-UPONEAKYSA-N 474.443 6.514 50 10 JKGE Cl[C@H](c1c(Br)sc(Br)c1Br)[C@@]12CCC[C@@H]1OCC2 1924611928 HINFODUIDPUEPI-PNLAZUSQSA-N 479.459 6.275 50 10 JKGE Cc1ccc(Cl)c([C@H](Br)c2cc(Br)c(Br)s2)c1 1925523296 FJAWSDCGKWORCY-NSHDSACASA-N 459.428 6.719 50 10 JKGE Cc1ccc([C@H](Br)c2c(Cl)sc(Br)c2Cl)cc1Br 1925583376 CPMJZGRKEXMGHN-VIFPVBQESA-N 493.873 7.373 50 10 JKGE Cc1cc(Br)c(CBr)c(N(Cc2ccccc2)CC(F)(F)F)c1 1981764773 FNYNYAFNGBVFMZ-UHFFFAOYSA-N 451.124 6.221 50 10 JKGE C[C@@H]1CC[C@@H](C[C@H](Br)c2c(Br)sc(Br)c2Cl)O1 1998140469 KSVHJGKJKBSZNR-VQVTYTSYSA-N 467.448 6.320 50 10 JKGE CCc1nc([C@H](Cl)c2cc(Br)sc2Br)c(Br)s1 2003570141 RHARBRZPBAJRHW-SSDOTTSWSA-N 480.472 6.383 50 10 JKGE CCN(Cc1ccccc1)c1ccc(C=C(C#N)c2nnc(N3CCOCC3)n2-c2ccccc2)cc1 2042453516 NWMGLMUMQDGHCX-UHFFFAOYSA-N 490.611 5.195 50 10 JKGE FC1(F)C[C@@]1(Br)COc1c(Br)cc(CCl)cc1Br 2082494779 SEUCDLKPPZRLAH-SNVBAGLBSA-N 469.345 5.502 50 10 JKGE Cc1ccc([C@H](Br)c2c(Br)sc(C)c2C)c(Br)c1 2082886791 YTOAGVHDTHKDOY-ZDUSSCGKSA-N 453.037 6.683 50 10 JKGE Cc1c(Br)ccc([C@@H](Br)c2c(Cl)cnn2C)c1Br 2083317735 JBTGLERBCJXCNF-LLVKDONJSA-N 457.391 5.391 50 10 JKGE BrCc1ccc(N2CCC[C@@H]2[C@H]2CCN(Cc3ccccc3)C2)cc1Br 2088999142 AIBFHCRTBVRAHE-SIKLNZKXSA-N 478.272 5.835 50 10 JKGE Cc1cc(F)c([C@@H](Br)c2cccc(Br)c2Br)cc1Cl 2092335661 PHJNBDYESFLIAG-ZDUSSCGKSA-N 471.389 6.797 50 10 JKGE O=C(N[C@@H]1CCCCC[C@@H]1Br)c1cccc(Br)c1Br 2092341203 YWNNQWRZFTUDRS-CMPLNLGQSA-N 454.000 5.038 50 10 JKGE O=C1Cc2cc([C@H](Br)c3csc(Br)c3Br)ccc2N1 2093947917 LNXDTLDBIFLGGG-NSHDSACASA-N 465.992 5.252 50 10 JKGE COc1cc(Br)ccc1[C@H](Br)c1cc(Br)c(OC)s1 2095775673 QXAYTLOECFSNHW-LBPRGKRZSA-N 471.008 5.775 50 10 JKGE Cc1cc(Br)c(CBr)c(Oc2ccc(Cl)cc2Br)c1 2116823641 CIPRIANQQHGDKA-UHFFFAOYSA-N 469.398 6.861 50 10 JKGE CC[C@@H](Br)[C@@H]1CCCCN1Cc1cc(Br)ccc1Br 2118519804 NWNFTOVYCUQJRB-HIFRSBDPSA-N 454.044 5.740 50 10 JKGE Clc1ccc(Br)c(CO[C@@H]2CCCCCC[C@H]2I)c1 2135982908 JFCPTBBUAXUFPA-HUUCEWRRSA-N 457.577 6.146 50 10 JKGE Cc1cc(Br)c(C)c([C@@H](Br)c2cccc(F)c2)c1Br 2136378303 CPMDFFZJERWDBY-HNNXBMFYSA-N 450.971 6.452 50 10 JKGE FC(F)c1ccc([C@H](Br)c2ccc(Br)cc2Br)cc1 2138874311 VDBTZFWZWYRMQX-ZDUSSCGKSA-N 454.934 6.634 50 10 JKGE Cc1cc(Br)cc(CCl)c1OCc1ccc(Br)cc1Br 2148685383 NLRDYWUYSOOWMD-UHFFFAOYSA-N 483.425 6.600 50 10 JKGE C[C@H](Cl)c1nc2cc(Br)c(Cl)cc2n1Cc1cnn(Cc2ccccc2)c1 2160079388 PVNABSMWVHMOET-ZDUSSCGKSA-N 464.194 6.045 50 10 JKGE Cc1cc(Br)c([C@@H](Br)c2cc3ncccc3s2)cc1Br 2164950645 ACUOHIUEBLXXGN-OAHLLOKOSA-N 476.031 6.614 50 10 JKGE CC[C@@H](Cl)[C@@H]1CCCCN1C(=O)c1cc(Br)ccc1I 2170619693 VLQYSXODNANTLJ-OCCSQVGLSA-N 470.576 5.066 50 10 JKGE Cc1cc(Br)c(CBr)c(N2CC[C@H]3[C@H](CCCN3Cc3ccccc3)C2)c1 2173443756 GJEABKVITZOAED-KNQAVFIVSA-N 492.299 6.143 50 10 JKGE ClC[C@@H](Cc1ccc(Br)cc1)Cc1cc(Br)ccc1Br 2175147913 SOVPZTSGMRIOKF-LBPRGKRZSA-N 481.453 6.614 50 10 JKGE Cc1cc(Br)c(C)c([C@@H](Br)C[C@H](C)CC(C)(C)C)c1Br 2201070608 NURJFLSGQJXLAV-HZMBPMFUSA-N 469.099 7.727 50 10 JKGE COc1ccc([C@@H](Br)c2cc(I)ccc2F)c(Cl)c1Cl 2203431597 DHJYHBHLRQNRSQ-GFCCVEGCSA-N 489.937 6.230 50 10 JKGE COc1ccc(Cl)cc1[C@@H](Br)c1ccc(Br)c(C)c1Br 2203683551 HTBQQVFVEMRNJX-HNNXBMFYSA-N 483.425 6.666 50 10 JKGE Clc1cc(Br)c([C@@H](Cl)c2cscc2OCc2ccccc2)c(Cl)c1Cl 2217604601 FBDKECRGVCWPDO-INIZCTEOSA-N 497.068 8.378 50 10 JKGE Clc1cc(Br)c([C@@H](Cl)c2cccc(Br)c2)c(Cl)c1Cl 2224317577 PALIZDHFWOFJCF-NSHDSACASA-N 463.811 7.500 50 10 JKGE Brc1ccc([C@H](Br)[C@@H]2OC[C@H]3CCCC[C@H]32)c(Br)c1 2224952795 ORCWEZCWEUEOHX-CJIMWGSBSA-N 453.012 5.853 50 10 JKGE ClCc1nc2cc(Br)c(Br)cc2n1C[C@H]1C[C@@H](Br)C1 2225700946 NNOQFCTYFIJZAT-OCAPTIKFSA-N 471.418 5.474 50 10 JKGE COc1cc(Br)c([C@H](Br)c2c(C)cccc2Br)cc1C 2236015010 YOSRHQIVQGZWBK-INIZCTEOSA-N 463.007 6.321 50 10 JKGE Cc1ccc([C@H](C)[C@@H](Br)c2cc(Br)c(C)cc2Br)cc1 2240822734 BQLVPWFPMJIKOQ-YVEFUNNKSA-N 461.035 7.068 50 10 JKGE CC(C)c1cc(Br)cc([C@H](Br)c2cc(Cl)c(Br)s2)c1 2265957566 PHIVJZGTBABDRR-ZDUSSCGKSA-N 487.482 7.534 50 10 JKGE COc1c([C@@H](Br)c2ccc(Br)s2)cc(Br)c(C)c1C 2269161144 BLUBFBGZCRHANA-CYBMUJFWSA-N 469.036 6.383 50 10 JKGE CC1CC(CBr)(CN(C2CC2)[C@@H](CCNC(=O)OC(C)(C)C)C(F)(F)F)C1 2280049926 IVPVENFRRLKRPM-DBQDNQAGSA-N 457.375 5.108 50 10 JKGE Fc1cc(Br)c(F)c(Br)c1[C@H](Br)[C@]12CCCC[C@@H]1CC2 2288997696 KUFSXBNTJLBKEV-YIUPMNOESA-N 472.993 6.896 50 10 JKGE O=C(Cl)C=Cc1cc(Cl)c(OCc2ccccc2Br)c(Br)c1 2293941150 LVERYABQDAFHGR-UHFFFAOYSA-N 464.968 6.223 50 10 JKGE CCOc1ccc(NC=C(C#N)c2nc(-c3cc4c(ccc5ccccc54)oc3=O)cs2)cc1 2295902670 KJRPLFSSMBRCBD-UHFFFAOYSA-N 465.534 6.445 50 10 JKGE N#CC(=CNc1ccc2c(C(F)(F)F)cc(=O)oc2c1)c1nc(-c2ccc3c(c2)OCO3)cs1 2295937298 QWACWAGCPNGDKH-UHFFFAOYSA-N 483.427 5.641 50 10 JKGE CC(C)COc1ccc(-c2nn(-c3ccccc3)cc2C=C(C#N)C(=O)NCc2ccco2)cc1 2296702669 GBOSUGWZVIMFKR-UHFFFAOYSA-N 466.541 5.390 50 10 JKGE N#CC(=CNc1ccc(Br)cc1F)c1nc(-c2ccc(Cl)c(Cl)c2)cs1 2296800600 IEBUNEABVYFSKR-UHFFFAOYSA-N 469.166 6.995 50 10 JKGE O=C(N[C@@H](CCBr)COCc1ccccc1)c1ccc(Br)c(Cl)c1 2303546284 AYHIWESBRYEGRV-HNNXBMFYSA-N 475.608 5.203 50 10 JKGE Cc1ccc(NC(=O)C(C#N)=Cc2c(C)n(Cc3ccc(Cl)cc3Cl)c3ccccc23)cc1 2313567660 JVRJOWMQQALXTP-UHFFFAOYSA-N 474.391 7.159 50 10 JKGE N#CC(=Cc1cn(Cc2cccc(F)c2)c2ccccc12)C(=O)Nc1ccc(Cl)c(Cl)c1 2313630647 CTCMYZSAWYKOGG-UHFFFAOYSA-N 464.327 6.681 50 10 JKGE CC(C)(C)OC(=O)N1CCC(CI)(OC(CC2CC2)CC2CC2)CC1 2313654001 FKVYNCDVKMXCKW-UHFFFAOYSA-N 463.400 5.177 50 10 JKGE CCOc1cc(C=C(C#N)C(=O)NCc2ccc(OC)cc2)ccc1OCc1cccc(C)c1 2313671121 GYGDXPBNVOZKMW-UHFFFAOYSA-N 456.542 5.205 50 10 JKGE CCOc1cc(C=C(C#N)C(=O)Nc2cccc(Cl)c2C)cc(Br)c1OCC 2313724530 FSLTUQOLVUQVLG-UHFFFAOYSA-N 463.759 5.754 50 10 JKGE N#CC(=Cc1ccccc1OCC(=O)Nc1ccccc1)c1nc(-c2cccc([N+](=O)[O-])c2)cs1 2314519613 VHDRHTASQNMNNC-UHFFFAOYSA-N 482.521 5.800 50 10 JKGE CCCCCCN1C(=O)C(=Cc2ccc(OCc3ccc(C)cc3)c(OCC)c2)C(C)=C(C#N)C1=O 2314611306 SROMVLZRJYNFOP-UHFFFAOYSA-N 486.612 6.145 50 10 JKGE N#CC1=C(N)Oc2cc(OC(=O)C=Cc3ccccc3Cl)ccc2[C@H]1c1c(F)cccc1Cl 2314634389 LTDKPDKDSRZLAG-HSZRJFAPSA-N 481.310 5.969 50 10 JKGE COc1c(Br)cc(C)c([C@H](Cl)C2CC(Br)C2)c1Br 2317427095 RUSPGJZJDNYANA-WZQIAMPNSA-N 461.419 5.982 50 10 JKGE CCCCOc1ccc(C=NNC(=O)c2ccc(Nc3nc(O)c4ccccc4n3)cc2)cc1 2323766098 LWWHKTITHSUOOC-UHFFFAOYSA-N 455.518 5.022 50 10 JKGE Cc1cc(I)ccc1NC=C(C#N)C(=O)N[C@@H](C)c1ccc2c(c1)CCCC2 2325108134 VYNXTRDEXSSCTG-INIZCTEOSA-N 485.369 5.175 50 10 JKGE BrC[C@@]1(Cc2ccc(I)c(Br)c2)CCCC12CC2 2325220771 BTCNMTMEDLWBNA-HNNXBMFYSA-N 484.013 5.942 50 10 JKGE CCOc1cc(C=C(C#N)c2nc(O)c3ccccc3n2)ccc1OCc1c(Cl)cccc1Cl 2331029993 NBQLNLSQNBKTKD-UHFFFAOYSA-N 492.362 6.684 50 10 JKGE N#CC(=C(O)Cc1ccc(OCc2ccccc2)cc1)c1nc(-c2ccc([N+](=O)[O-])cc2)cs1 2331279612 VIHAFMCPESXPAB-UHFFFAOYSA-N 469.522 6.333 50 10 JKGE CCc1cccc(C)c1N1C[C@H](C(O)=C(C#N)c2nc(-c3ccc(C(C)(C)C)cc3)cs2)CC1=O 2331331934 JUSRFEQEFFGXOR-OAQYLSRUSA-N 485.653 6.824 50 10 JKGE CC(C)(C)c1ccc(OCCCC(O)=C(C#N)c2nc(-c3ccc(F)c(F)c3)cs2)cc1 2331351936 NJCCZVHLIWVKKC-UHFFFAOYSA-N 454.542 7.038 50 10 JKGE CCOc1ccc(-c2csc(C(C#N)=C(O)CCCOc3c(C)cccc3C)n2)c(OCC)c1 2331389021 IDOUPYXYMOPYIJ-UHFFFAOYSA-N 478.614 6.876 50 10 JKGE COc1c(Cl)cc(-c2csc(C(C#N)=C(O)C=Cc3ccccc3Cl)n2)cc1Cl 2331396581 RNSAPVGNJJUXSQ-UHFFFAOYSA-N 463.773 7.285 50 10 JKGE COc1c(Cl)cc(-c2csc(C(C#N)=C(O)[C@H](C)Oc3ccccc3C(C)C)n2)cc1Cl 2331397696 VQOJWXGTJPSOSA-AWEZNQCLSA-N 489.424 7.509 50 10 JKGE COc1ccc(-c2csc(C(C#N)=C(O)c3cc([N+](=O)[O-])cc([N+](=O)[O-])c3C)n2)c2ccccc12 2331408202 HQVMDBMGBARRFV-UHFFFAOYSA-N 488.481 6.047 50 10 JKGE CCCCCCOc1ccc(C=C(C#N)c2nc(-c3ccc(C(C)C)cc3)cs2)cc1OC 2331456739 ZBHKYPXHZRHNGY-UHFFFAOYSA-N 460.643 7.965 50 10 JKGE Brc1ccc(OCc2ccccc2)c([C@@H](Br)C2CC3(CCCCC3)C2)c1 2336053907 NENDTZAIAASBCM-QFIPXVFZSA-N 478.268 7.825 50 10 JKGE Cc1cc(Br)c(F)c(Br)c1[C@@H](Br)[C@@H]1CC2(CC2)CO1 2339655007 WREFFEIGNPEDPJ-ONGXEEELSA-N 456.975 5.664 50 10 JKGE COc1ccc([C@@H](Br)c2cc(OC)c(Cl)s2)cc1I 2340286997 OULZFMULLYBFBK-GFCCVEGCSA-N 473.557 5.508 50 10 JKGE BrCc1ccc(COCc2cc(I)ccc2Br)cc1 2341548994 DMFPYGFQIQUXEI-UHFFFAOYSA-N 495.980 5.665 50 10 JKGE C[C@H](Br)CN(Cc1cccc(Br)c1Br)C1CCCC1 2342946749 UORXZDKYBDHHOQ-NSHDSACASA-N 454.044 5.740 50 10 JKGE C[C@H](Cl)C[C@@H]1CCCCN1Cc1ccc(I)c(Br)c1 2349846442 YKXSFNOWSXNJSJ-AAEUAGOBSA-N 456.593 5.426 50 10 JKGE Clc1ccc(I)cc1CC[C@@H](Br)CN1CCCCC1 2352415879 NRZVORJSORIBNT-CYBMUJFWSA-N 456.593 5.127 50 10 JKGE FC1(F)[C@H]2CC(CBr)(Cc3cc(I)ccc3Cl)C[C@@H]21 2352424018 NOFSGOHSJRXEDR-QWRGUYRKSA-N 461.515 5.544 50 10 JKGE Cc1c(Br)ccc([C@@H](Br)[C@H]2OC[C@@H]3CCCC[C@H]23)c1Br 2358467115 DSVFLUIJPMNLKN-QMMBQJITSA-N 467.039 6.161 50 10 JKGE C[C@]1(C(F)(F)F)C[C@@H]1[C@H](Br)c1c(F)cc(Cl)c(Br)c1Cl 2360422022 RKONKFQAKYNUSB-OOWWRKSUSA-N 458.902 6.920 50 10 JKGE CC(C)(C)OC(=O)N1CCC(CCC2CCN(CCCCCI)CC2)CC1 2361103170 SFLFVILTGDTBQU-UHFFFAOYSA-N 492.486 5.731 50 10 JKGE COc1c(Br)cc(C)c([C@@H](Cl)c2cn(C)nc2Br)c1Br 2365179754 PQGOJVZHZQZNFW-NSHDSACASA-N 487.417 5.353 50 10 JKGE Cc1cc(Br)c(F)c(Br)c1[C@H](Br)C[C@H]1CCCOCC1 2365188001 GUJLNTLLKVSHDT-WDEREUQCSA-N 473.018 6.302 50 10 JKGE Cc1cc(Br)c(F)c(Br)c1[C@@H](Br)[C@H]1[C@H]2CCCCC[C@H]21 2365223883 RXYKPFHKKZSLGA-RDBQEKCUSA-N 469.030 6.921 50 10 JKGE COc1c(Br)cc(C)c([C@@H](Br)C2C3(CC3)C23CC3)c1Br 2365232909 DEEVWRCUMRNRKO-GFCCVEGCSA-N 465.023 6.155 50 10 JKGE COc1c(Br)cc(C)c([C@@H](Br)c2csc(C)c2C)c1Br 2365236829 QNKWTYHADOOOBV-ZDUSSCGKSA-N 483.063 6.691 50 10 JKGE COCc1ccc(CO[C@H](CI)c2ccccc2Br)s1 2368075286 OXZRSZVIQMGBHE-OAHLLOKOSA-N 467.166 5.350 50 10 JKGE O=C(c1cc(Br)c(Br)s1)N1CCC[C@@H](Cl)[C@@H]1C(F)(F)F 2370266863 YTZVPCVQLXYMME-HTRCEHHLSA-N 455.521 5.047 50 10 JKGE Cc1ccc(CN(C(=O)CCl)[C@@H](C(=O)NC2CCCCCC2)c2ccc(F)cc2Cl)cc1 3039234 XFOLICKPUMKING-XMMPIXPASA-N 479.423 5.935 50 10 JKGE N#C/C(=C/c1ccc(-c2ccc([N+](=O)[O-])cc2)o1)C(=O)Nc1ncc(Cc2cccc(Cl)c2)s1 9404120 HERDIOJKPPPIKD-ATVHPVEESA-N 490.928 6.101 50 10 JKGE Cc1cc([C@@H]2C(C#N)=C(N)N(c3ccccc3Cl)C3=C2C(=O)C[C@H](c2ccccc2)C3)c(C)s1 9981943 RQHDIHDEIMWWRF-NIYFSFCBSA-N 486.040 6.717 50 10 JKGE COc1cc(/C=C(/C#N)c2ccccc2F)ccc1OC(=O)c1cccc(Br)c1 31901717 SWYFEEAHRBIIRZ-BOPFTXTBSA-N 452.279 5.880 50 10 JKGE N#C/C(=C/c1cc2ccccc2nc1SCc1ccc(Cl)cc1)c1ccc(Cl)c(Cl)c1 33540608 SCBNDWDTGPKHHO-NDENLUEZSA-N 481.835 8.551 50 10 JKGE Cc1ccc(N2C(=O)[C@H](Cc3ccccc3Cl)S/C2=C(/C#N)C(=O)Nc2ccc(F)cc2)cc1 33752672 NMDMTJDDMPTDPX-HVBJHMBASA-N 491.975 5.853 50 10 JKGE CCCCOc1ccc(/C=C(\C#N)c2nc(-c3cc4cc(Cl)ccc4oc3=O)cs2)cc1OC 35519631 FYGIVLUZZKETKZ-VCHYOVAHSA-N 492.984 6.822 50 10 JKGE Cc1ccc2c(C)c(C(=O)Oc3ccc4c(c3)OC(N)=C(C#N)[C@@H]4c3ccc(C(C)C)cc3)oc2c1 38687065 NXFKHOJSOFFJHC-HHHXNRCGSA-N 478.548 6.610 50 10 JKGE CSc1ccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4oc5cc(C)c(C)cc5c4C)ccc32)cc1 38700695 LBQYFVMKSSADGZ-AREMUKBSSA-N 496.588 6.517 50 10 JKGE COc1ccccc1Oc1nc2c(C)cccn2c(=O)c1/C=C(/C#N)C(=O)Nc1ccccc1Cl 39858837 TYIQNQFSYSJIND-VKAVYKQESA-N 486.915 5.003 50 10 JKGE Cc1ccc(C(C)C)c(OC(=O)c2oc3c(c2C)/C(=N/NC(=O)c2cccc4ccccc24)CCC3)c1 40813621 MXJSIMRRYHZHBT-WGPBWIAQSA-N 494.591 6.863 50 10 JKGE COc1cc(/C=N/NC(=O)COc2ccc(Cl)c(C)c2)ccc1OCc1ccc(C)cc1 40911148 KHLJJYLZWYKJQK-MZJWZYIUSA-N 452.938 5.074 50 10 JKGE Cc1cc([C@@H](Br)c2cccc(I)c2)c(C)cc1Br 70472153 PHWDASMPHIKGHU-HNNXBMFYSA-N 479.981 6.155 50 10 JKGE N#C/C(=C(/O)c1ccc(-c2cc(Cl)ccc2Cl)o1)c1nc(-c2ccc3ccccc3c2)cs1 100989747 IRMKSHBXRKRIRP-QQTULTPQSA-N 489.383 8.480 50 10 JKGE CCc1ccc(N2C(=O)[C@@H](Cc3ccccc3Cl)S/C2=C(/C#N)C(=O)Nc2ccccc2)cc1 101244371 QAXFHJASDGCMIO-OGCOBRASSA-N 488.012 5.967 50 10 JKGE COc1c(Br)cc(Cl)cc1[C@@H](Cl)c1ccc(I)cc1 109794644 HGBFKZCVHGUZLE-ZDUSSCGKSA-N 471.947 6.044 50 10 JKGE CC(C)c1ccc([C@@H](Cl)c2cc(Br)c(Br)s2)c(C(C)C)c1 128540343 FLAYLBHZSSASCM-MRXNPFEDSA-N 450.667 7.848 50 10 JKGE COc1cc([C@H](Br)c2ccc(Br)cc2F)c(OC)cc1Br 134296994 HBONIWHABFPUOG-OAHLLOKOSA-N 482.969 5.852 50 10 JKGE C=CCOc1ccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)/C=C\c4ccccc4)ccc32)cc1 205648043 XBTCGHHEBUVOGN-NSVNLEFRSA-N 450.494 5.088 50 10 JKGE O=C(CCCCCCCCC(=O)Oc1ccc(C(=O)Cl)cc1)Oc1ccc(C(=O)Cl)cc1 206804498 AXSIGPQJGYCHMY-UHFFFAOYSA-N 479.356 6.076 50 10 JKGE CCCCCCCOc1ccc(/C=C2\C(=O)N(C3CCCCC3)C(=O)C(C#N)=C2C)cc1OCC 214367004 HZGFELRRKPHALZ-MOHJPFBDSA-N 478.633 6.359 50 10 JKGE C[C@@H]1CCCC[C@H]1NC(=O)[C@H](c1ccc(Cl)cc1)N(C(=O)CCl)c1cccc(Cl)c1 230274918 FPFZYFWZYWCANV-QPJICYPMSA-N 467.824 6.001 50 10 JKGE COc1ccc(F)cc1[C@H](Br)c1ccc(I)c(Cl)c1 232343260 MMCXYGDNXBHEBN-CQSZACIVSA-N 455.492 5.577 50 10 JKGE Cc1ccc(C(=O)Oc2ccc3ccccc3c2C=NNC(=O)COc2cccc(C)c2)cc1 254303689 YJQDZESCVJSFFU-UHFFFAOYSA-N 452.510 5.205 50 10 JKGE CCOc1ccc(C(=O)Oc2ccc3ccccc3c2C=NNC(=O)c2ccc(C)cc2)cc1 254340978 HIPWWFSRBODFGY-UHFFFAOYSA-N 452.510 5.530 50 10 JKGE C[C@@H](Cl)c1nc2cc(I)c(F)cc2n1[C@@H]1CCN(Cc2ccccc2)C1 311648537 SYJVQIMVYLZDCM-UKRRQHHQSA-N 483.756 5.527 50 10 JKGE C[C@H](Cl)c1nc2cc(Br)c(F)cc2n1[C@@H]1CN(Cc2ccccc2)C[C@H]1C 389875342 TUZCJAFRZPVSRQ-LAPQFRIASA-N 450.783 5.931 50 10 JKGE C[C@H](Cl)c1nc2cc(C(F)F)ccc2n1CCCN(Cc1ccccc1)Cc1ccccc1 390472313 CHFFRVNQUGJZRN-FQEVSTJZSA-N 467.991 7.366 50 10 JKGE CCn1nc(C)c2nc(CCCl)n(CCCN(Cc3ccccc3)Cc3ccccc3)c21 390515339 CMPPZKMTJVXPDK-UHFFFAOYSA-N 450.030 5.435 50 10 JKGE CC(C)(C)[Si](C)(C)OCCN1CCO[C@H](c2ccc(CO[Si](C)(C)C(C)(C)C)cc2)CC1 616594197 OQPMHXVXUARLAW-DEOSSOPVSA-N 479.854 6.994 50 10 JKGE CC(C)(C)OC(=O)N1CC[C@H](c2cccc(CCO[Si](C)(C)C(C)(C)C)c2)c2ccccc21 616676286 YDOHCMXVARNTMG-HSZRJFAPSA-N 467.726 7.528 50 10 JKGE Brc1cc2c(cc1[C@H](Br)c1ncsc1Br)CCO2 698683215 RYFLLJYYQNTYKO-JTQLQIEISA-N 453.981 5.087 50 10 JKGE CC1(C)[C@@H](OCc2ccccc2)C[C@H]1n1c(CCl)nc2cc(F)c(Br)cc21 718081772 VBFBTQHWZXPHPF-MOPGFXCFSA-N 451.767 6.233 50 10 JKGE FC(F)(F)c1cc([C@@H](Br)c2cc(Br)sc2Br)cs1 718834493 ZWDGUZOJEQXUJL-MRVPVSSYSA-N 484.982 6.838 50 10 JKGE CCc1cc(C)sc1[C@H](Cl)c1ccc(I)c(Br)c1 721594586 PTLDYRKBBMYGRD-CYBMUJFWSA-N 455.586 6.314 50 10 JKGE C=CCOc1ccc(Br)cc1C=NNC(=O)[C@@H](C)Oc1ccc2ccccc2c1 1083973928 OTDJAOQLPPFTRH-MRXNPFEDSA-N 453.336 5.085 50 10 JKGE CN1C(=O)C(=NNC(=O)CSc2c(Cl)c(Cl)c(Cl)c(Cl)c2Cl)c2ccccc21 1084040269 NYXOYFHOLRZRGB-UHFFFAOYSA-N 497.618 5.543 50 10 JKGE CC(=NNC(=O)CCC(=O)Nc1ccc(Cl)cc1Cl)c1ccc(-c2ccccc2)cc1 1084175703 FPCFEXHDBXUWOV-UHFFFAOYSA-N 454.357 5.920 50 10 JKGE CO[C@H](C(=O)NN=C(C)c1ccc2c(c1)[C@@H]1C=CC[C@@H]1[C@H](c1ccccc1Cl)N2)c1ccccc1 1084237114 FFYPURKZNPGNGM-ONUYUPGPSA-N 486.015 6.394 50 10 JKGE CCOc1c(Br)cc(/C=C(\C#N)C(=O)Nc2ccc(C)cc2)cc1Br 1084279189 FREGETCFHPSYFR-RIYZIHGNSA-N 464.157 5.464 50 10 JKGE CC(C)(C)OC(=O)N1C[C@H](CI)[C@H](c2cccc(C(F)(F)F)c2)C1 1614810045 KJBWSYLJFLCNQP-JSGCOSHPSA-N 455.258 5.091 50 10 JKGE Cc1ccc(NC(=O)c2oc3c(c2C)C(=NNC(=O)Cc2coc4c(C)c(C)ccc24)CCC3)cc1C 1772751446 CEORJMZRXYMCEY-UHFFFAOYSA-N 497.595 6.220 50 10 JKGE COc1cc(C=NNC(=O)COc2ccc3ccccc3c2)ccc1OCc1ccccc1Cl 1772753276 MDRJBSPSNKTIMY-UHFFFAOYSA-N 474.944 5.610 50 10 JKGE CCOc1ccc2ccccc2c1C=NNC(=O)CSc1nc(-c2ccc(Cl)cc2)cs1 1772755095 MOZHHFXUJTYEGL-UHFFFAOYSA-N 482.030 6.258 50 10 JKGE Cc1nn(Cc2c(F)cccc2Cl)c2c1[C@H](c1cccc(Br)c1)C(C#N)=C(N)O2 1865684235 NYQBQLMAZIGSDH-LJQANCHMSA-N 473.733 5.013 50 10 JKGE CCc1nn(-c2cccc3ccccc23)c2c1[C@@H](c1ccc(Cl)c(Cl)c1)C(C#N)=C(N)O2 1865685338 HDZOOXJFDGPUPF-QFIPXVFZSA-N 461.352 6.113 50 10 JKGE CCCCOc1ccc([C@@H]2C(C#N)=C(N)Oc3c2c(CCC)nn3-c2ccc(C)cc2)cc1OCC 1865686992 HBSISQQHCYEWIG-AREMUKBSSA-N 486.616 5.929 50 10 JKGE N#CC1=C(N)Oc2c(c(-c3ccccc3)nn2-c2ccccc2)[C@@H]1c1ccc(OCc2ccccc2)cc1 1865689734 DKEXGWDRDFOPFR-MUUNZHRXSA-N 496.570 6.336 50 10 JKGE CCCOc1ccc([C@H]2C(C#N)=C(N)Oc3c2c(C(F)(F)F)nn3Cc2ccccc2)cc1OCC 1865691036 HNPXEKBEGFQQQK-NRFANRHFSA-N 498.505 5.356 50 10 JKGE CCCCCOc1ccc([C@H]2C(C#N)=C(N)Oc3c2c(-c2ccccc2)nn3CC(C)C)cc1OC 1865695332 NSFPVCDMXUCNPN-VWLOTQADSA-N 486.616 6.002 50 10 JKGE Cc1nc(-c2ccc(F)cc2F)ccc1C(=O)NNC(=O)/C=C/c1ccc(Cl)cc1Cl 1865759864 WFEMLPSSTYQNMU-YCRREMRBSA-N 462.283 5.116 50 10 JKGE CCc1nc(Nc2ccc(SC#N)cc2)cc(N2CCC[C@H]2c2nc3ccccc3s2)n1 1868278264 XYGYKOGEBGLEML-IBGZPJMESA-N 458.616 6.307 50 10 JKGE N#CSc1ccc(Nc2cc(N3CCO[C@H](c4ccccc4)C3)nc(-c3ccccc3)n2)cc1 1868364687 DFYAWALUUFWINP-DEOSSOPVSA-N 465.582 6.038 50 10 JKGE COc1ccc(-c2c(C)oc3cc(OCc4cccc(CCl)c4)ccc3c2=O)cc1OC 1871437062 HLAJNQFCVCTLMO-UHFFFAOYSA-N 450.918 6.103 50 10 JKGE COc1cccc(/C=C(\C#N)c2nc3ccccc3n2C)c1OCc1ccc(Br)cc1 1872727018 YTKTXANWMFQTCP-XMHGGMMESA-N 474.358 5.988 50 10 JKGE CCOc1ccc(/C=C/C(O)=C(\C#N)c2nc(-c3ccc(OC)c(OC)c3)cs2)cc1OC 1872745605 VLORGAUXMMIPIM-CRZNAYNCSA-N 464.543 5.741 50 10 JKGE N#C/C(=C(/O)[C@@H](Cc1ccccc1)N1C(=O)c2ccccc2C1=O)c1nc(-c2ccccc2)cs1 1872747908 YWOAAWWXXWGDDD-FOSWXRMZSA-N 477.545 5.510 50 10 JKGE CCOc1ccc(/C=C/C(O)=C(\C#N)c2nc(-c3cc(C(C)C)c(OC)cc3C)cs2)cc1 1872753786 MVESJUXZKFOGEF-NTXDCBGDSA-N 460.599 7.155 50 10 JKGE COc1c(C)cc(C)cc1-c1csc(/C(C#N)=C(\O)C(c2ccccc2)c2ccccc2)n1 1872754937 QMORATPJEDXTSW-RWEWTDSWSA-N 452.579 7.060 50 10 JKGE CCc1cccc(C)c1N1C[C@@H](/C(O)=C(\C#N)c2nc(-c3cc(C(C)(C)C)ccc3C)cs2)CC1=O 1872756116 RSUMSTKDVNALSW-QTEAAIINSA-N 499.680 7.133 50 10 JKGE CCCCC1CCC(/C(O)=C(\C#N)c2nc(-c3cc(OC)c(Cl)cc3OC)cs2)CC1 1872756371 JCTGKKSTNGHYPU-NKFKGCMQSA-N 461.027 7.270 50 10 JKGE COc1cc(OC)c(OC)cc1/C=C(\C#N)c1nc(-c2ccc(Br)cc2)cs1 1872780669 HISMVTYAYBIMRG-OVCLIPMQSA-N 457.349 5.663 50 10 JKGE CC(C)(C)OC(=O)N[C@@H](Cc1ccccc1)C(=O)N/N=C/c1cccc(Oc2ccccc2)c1 1873794853 DTXZPTGWRZOFTB-ISNDEZQZSA-N 459.546 5.065 50 10 JKGE Cc1cc([C@@H](Br)c2cc(Br)c3c(c2)C[C@@H](C)O3)oc1Br 1917618851 ZFJISVOCLSEQGJ-OQPBUACISA-N 464.979 5.921 50 10 JKGE Brc1cc(Br)c([C@H](Br)[C@@H]2CCOc3ccccc32)s1 1922955038 VNAYPTXWZNHPAH-NOZJJQNGSA-N 467.020 6.275 50 10 JKGE Fc1ccc([C@H](Br)c2c(Br)sc(Br)c2Cl)c(F)c1 1923037532 DJRYDCVJULLOGW-QMMMGPOBSA-N 481.381 6.689 50 10 JKGE CC(C)C(C(C)C)[C@@H](Br)c1c(Br)sc(Br)c1Cl 1923047435 BJTAVASHHKSQHQ-SECBINFHSA-N 467.492 7.291 50 10 JKGE Brc1csc([C@H]2CCC[C@H](CI)O2)c1Br 1930750006 RSDGYFXAHBYPSZ-HTRCEHHLSA-N 465.976 5.318 50 10 JKGE Clc1cc([C@@H](Br)c2sc(Br)cc2Br)sc1Cl 1939425859 FNQHEYPAFMFLBN-SSDOTTSWSA-N 485.875 7.126 50 10 JKGE CC[C@H](Br)CN(Cc1ccccc1)C(=O)c1ccc(I)c(C)c1 1995255628 FPWIFJPZTHLKBX-KRWDZBQOSA-N 486.191 5.416 50 10 JKGE CO[C@@H]1CC[C@H]([C@@H](Cl)c2c(Br)sc(Br)c2Br)C1 2006341257 RQQDKRNKHDTFRD-CCGCGBOQSA-N 467.448 6.131 50 10 JKGE FC1(F)CN(Cc2ccccc2)CCCN(c2nc(Cl)c(CBr)s2)C1 2037775659 SJMFAQFGQNQCED-UHFFFAOYSA-N 450.780 5.039 50 10 JKGE CC1(C)CN(Cc2ccccc2)CCN1c1c(CBr)ccc(Br)c1Cl 2041753369 YMELKRBTFBUWQH-UHFFFAOYSA-N 486.679 6.098 50 10 JKGE CC1(C)CCC[C@@H]([C@H](Br)c2c(Br)sc(Br)c2Cl)C1 2049573212 GLZKSGJJMPAISL-APPZFPTMSA-N 479.503 7.579 50 10 JKGE CC12CC([C@H](Br)c3sc(Br)cc3Br)(C1)C(C)(C)O2 2058142208 WXGDUONOUBBGEH-QFWMXSHPSA-N 459.041 6.057 50 10 JKGE Brc1cccc([C@H](Br)c2ncn3ccsc23)c1Br 2083989138 DIYPFUXJUWSTAW-JTQLQIEISA-N 450.981 5.405 50 10 JKGE CCOc1ccc([C@@H](Cl)c2cc(Br)ccc2I)s1 2086383287 BDTSPJMXYZMTJO-ZDUSSCGKSA-N 457.558 5.842 50 10 JKGE Fc1ccc([C@H](Cl)c2c(Br)cccc2Br)c(F)c1Br 2094096629 ZOTUJONUZDCOKF-LBPRGKRZSA-N 475.352 6.581 50 10 JKGE CCCC(CBr)(CCC)CN=[S@@](C)(=O)[C@H]1CCN(C(=O)OC(C)(C)C)C1 2106784856 LPZBRBOLFDTDPE-QMTYFTJSSA-N 453.487 5.075 50 10 JKGE FC1(F)CCC2(CC1)C[C@H]2[C@@H](Br)c1cc(Br)sc1Br 2107091133 IEHMLWPCSRJDBI-WPRPVWTQSA-N 479.022 6.925 50 10 JKGE Brc1cccc(Br)c1C[C@@H]1CCCCCCC[C@H]1Br 2112485952 UTXIDRCTWWILLE-GXTWGEPZSA-N 453.056 6.878 50 10 JKGE Fc1cc(Br)c([C@@H](Br)c2cc(Br)c(Cl)s2)c(F)c1F 2115927925 GVNURVFVAVKZOE-QMMMGPOBSA-N 499.371 6.828 50 10 JKGE Brc1cc([C@H](Br)c2ccc(Br)c3ccccc23)ns1 2120038588 JHTNFNNKEUVACY-CQSZACIVSA-N 462.004 6.306 50 10 JKGE CC(C)(C)OC(=O)N1CCC(CI)(O[C@@H]2CCC[C@H]3CCCC[C@H]32)CC1 2136421565 FWIXOVFYRVQJHU-KZNAEPCWSA-N 477.427 5.567 50 10 JKGE COc1c(Br)cc(C)cc1[C@@H](Br)c1cc(C)sc1Br 2139016742 KLTBOPZCCITZMU-GFCCVEGCSA-N 469.036 6.383 50 10 JKGE Cn1ncc(Br)c1CC(CBr)(CBr)c1ccc(Cl)cc1 2143632648 CUTWKAHPYVDSPU-UHFFFAOYSA-N 485.445 5.106 50 10 JKGE CC(C)(C)[C@@H]1CC[C@H](Br)[C@@H](Cc2c(Br)cccc2Br)C1 2150493183 JJIAIPFKVOPRMB-BZPMIXESSA-N 467.083 6.980 50 10 JKGE CC[C@@](C)(Cn1c(CCl)nc2cc(Br)c(F)cc21)N(C)Cc1ccccc1 2155089815 BRQNQMXQTBFRQS-NRFANRHFSA-N 452.799 5.977 50 10 JKGE COc1cc(Br)c(C)cc1[C@@H](Br)c1c(Br)sc(C)c1C 2157254834 LVXJXIBUOQJJPX-CQSZACIVSA-N 483.063 6.691 50 10 JKGE C[C@H](CCn1c(CCCl)nc2cc(Br)c(Cl)cc21)N(C)Cc1ccccc1 2159874529 PDIBTTPSYZWUAS-OAHLLOKOSA-N 469.254 6.144 50 10 JKGE CCC(CC)(CBr)CN1CC[C@@H](C(F)(F)F)C[C@@H]1CNC(=O)OC(C)(C)C 2163833752 CHVSJZMKLKQQLI-HUUCEWRRSA-N 459.391 5.355 50 10 JKGE CCc1cc([C@H](Br)c2ccc(Br)cc2Br)c(F)cc1F 2175372942 DXVLYJGUCLIIHU-OAHLLOKOSA-N 468.961 6.537 50 10 JKGE Cc1cc(Br)c(C)c([C@H](Br)C2[C@H]3CCCCC[C@H]23)c1Br 2201077252 IZJAVKDTOVWQQO-PRXAMGSTSA-N 465.067 7.091 50 10 JKGE COc1cc(Cl)c([C@H](Br)c2cc3sccc3s2)cc1Br 2202345653 DRTVATVXLXVSCV-AWEZNQCLSA-N 452.620 6.872 50 10 JKGE COc1cc(F)c([C@H](Br)c2ccc(Cl)cc2Br)cc1Br 2202903533 GCNLQIYPBCOAFW-CQSZACIVSA-N 487.388 6.497 50 10 JKGE COc1cccc([C@H](Br)c2ccc(Br)c(C)c2Br)c1C 2203686621 PFNOONXRNUTSLE-INIZCTEOSA-N 463.007 6.321 50 10 JKGE Cc1c(Br)ccc([C@H](Br)[C@@]2(C)CC[C@H](C)C2(C)C)c1Br 2203688464 UXKZVHAACLKXAP-GLZQIGESSA-N 467.083 7.418 50 10 JKGE COc1cc(Br)c(Oc2ccnc(CBr)c2C)cc1Br 2205639128 YRVMEAKQMAOALY-UHFFFAOYSA-N 465.967 5.611 50 10 JKGE Cc1sc(Br)cc1[C@@H](Br)c1sc(Br)c(C)c1C 2213619352 CWPOULQHOISDLW-SNVBAGLBSA-N 459.066 6.744 50 10 JKGE Cc1cc(C(=O)N(Cc2ccccc2)C(C)(C)CBr)cc(C)c1Br 2214687436 KNRRXFMQZJMNIH-UHFFFAOYSA-N 453.218 5.882 50 10 JKGE Cc1cc(Br)c([C@H](Br)[C@@H](F)C(F)(F)F)c(C)c1Br 2220143677 FGKQYWRYZGIFKB-VHSXEESVSA-N 456.897 6.165 50 10 JKGE Fc1cc(Br)c(Br)cc1[C@H](Br)C1C[C@@H]2CC[C@H](C1)O2 2225620136 QZKGOKUUNHEVFM-URBFMFTOSA-N 456.975 5.744 50 10 JKGE Fc1cc(Br)c(Br)cc1[C@H](Cl)c1cccc(F)c1Br 2225632714 FATQNCONGDFHPS-CYBMUJFWSA-N 475.352 6.581 50 10 JKGE Cc1cc(Br)c([C@H](Br)c2ccccc2Cl)c(C)c1Br 2227353090 RQLPHVQJLBXNKE-OAHLLOKOSA-N 467.426 6.966 50 10 JKGE CC(C)(C)OC(=O)N1CCC(CI)(O[C@@H]2CCC[C@@H](C(F)(F)F)C2)CC1 2231395920 ZWTYXQKFXGLZAS-ZIAGYGMSSA-N 491.332 5.329 50 10 JKGE FC(F)(F)[C@@H]1C[C@H]1C[C@H](Br)c1c(Br)cc(Cl)c(Cl)c1Cl 2232512220 SLKZBSADYVFOTF-JKUQZMGJSA-N 475.357 7.434 50 10 JKGE Clc1ccc([C@@H](Br)c2sccc2Br)cc1I 2243576282 TUFOLTSRBPXJRN-SNVBAGLBSA-N 492.401 6.253 50 10 JKGE Cc1cc(Br)sc1[C@H](Br)c1c(F)cccc1I 2247989301 GGPGHVCGFVCLFS-LLVKDONJSA-N 489.973 6.047 50 10 JKGE CCc1cc([C@H](Br)c2ccc(F)cc2Br)sc1Br 2256059143 VJFMBWTUGDGKHN-GFCCVEGCSA-N 457.000 6.459 50 10 JKGE Brc1cocc1[C@H](Br)c1csc2c(Br)cccc12 2258146720 UIYKGNPNLIXNTN-LBPRGKRZSA-N 450.977 6.504 50 10 JKGE C[C@H](C(F)(F)F)C(CBr)(CBr)c1ccc(Br)cc1 2263887906 JGZXARWBQGANHU-QMMMGPOBSA-N 452.934 5.675 50 10 JKGE Clc1c(Br)csc1[C@H](Cl)c1cc(I)cc2c1OCC2 2264606589 CAJJJWAZOTYLGR-SNVBAGLBSA-N 489.987 6.032 50 10 JKGE CCc1cc([C@H](Br)c2ccc(Br)c(OC)c2)sc1Br 2267865139 AFHDYOVNNOOQRJ-CYBMUJFWSA-N 469.036 6.328 50 10 JKGE COc1ccc([C@H](Br)c2ccc(F)cc2Cl)cc1I 2269557156 STZTXGFDLSHHJG-AWEZNQCLSA-N 455.492 5.577 50 10 JKGE Fc1cc(Br)c(F)c(Br)c1[C@@H](Br)[C@H]1[C@H]2C[C@@H]3[C@H]1[C@@H]3C2 2272848332 UZOWMMGMHSMECR-MRPMVSBPSA-N 456.950 5.828 50 10 JKGE Cc1cc(Br)c([C@@H](Br)[C@@H]2CCC(F)(F)C2)c(C)c1Br 2277734491 MWTCQTMZVDAYHC-RNCFNFMXSA-N 460.982 6.700 50 10 JKGE COCc1nc([C@@H](Br)Cc2cc(Br)cc(Br)c2)cs1 2277957394 UNHWTOIPVIPEOQ-NSHDSACASA-N 470.024 5.493 50 10 JKGE COc1ccc([C@H](Br)c2ccc(Cl)c(I)c2)cc1OC 2283586568 JFMSNKHOJIZZQS-OAHLLOKOSA-N 467.528 5.446 50 10 JKGE CC1(C)CCC(C)(C)[C@@H](Cc2c(Br)cccc2Br)[C@H]1Br 2290329761 YVQTUVQJSGSRSO-SWLSCSKDSA-N 467.083 6.980 50 10 JKGE Cc1ccc(N2C(=O)[C@@H](Cc3cccc(C)c3)SC2=C(C#N)C(=O)NCc2ccccc2)cc1 2293038435 BTHDPJFUJIGDIJ-RUZDIDTESA-N 467.594 5.046 50 10 JKGE Cc1cc(C(F)(F)F)sc1[C@H](Cl)c1c(Br)sc(Br)c1Cl 2295056512 HJTOPFBRJLVWJV-ZCFIWIBFSA-N 489.003 7.643 50 10 JKGE C[C@H](C[C@H](Br)Cc1cc(Br)cc(Br)c1)c1ccccc1 2295333539 LDZUBHOTEUCQOB-DOMZBBRYSA-N 461.035 6.711 50 10 JKGE CCc1nn(C)c([C@H](Cl)c2cc3sc(Br)cc3s2)c1Br 2295515742 CPQSAFVSAPQFLZ-GFCCVEGCSA-N 454.640 6.112 50 10 JKGE Cc1cc(C)cc(NC(SCc2ccc(C)cc2C)=C(C#N)S(=O)(=O)c2ccccc2)c1 2297350073 SLWFMAWCRUMKMC-UHFFFAOYSA-N 462.640 6.432 50 10 JKGE CC(C)(C)C(C)(C)[C@@H](Br)c1cc(Br)ccc1OCc1ccccc1 2299496466 UGECXGJTNFZXEC-IBGZPJMESA-N 454.246 7.536 50 10 JKGE Fc1ccc([C@H](Br)c2ccc(OCc3ccccc3)cc2Br)cc1 2299499045 XDNVSDLRLSQXAU-FQEVSTJZSA-N 450.145 6.652 50 10 JKGE ClC[C@@H](Br)[C@H](CCl)OCc1ccc(Cl)cc1I 2301825007 IDDGXUBODKTIMF-KOLCDFICSA-N 472.375 5.071 50 10 JKGE BrC[C@@]1(Cc2ccc(I)c(Br)c2)C[C@@H]2C[C@@H]2C1 2306227469 NNLXFSXNYLPOIY-GNXNZQSNSA-N 469.986 5.407 50 10 JKGE CCOc1cc(C=C(C#N)c2ccccc2)cc(Br)c1OCc1ccc(Cl)cc1 2313521319 GFRIAHIXELXDJE-UHFFFAOYSA-N 468.778 7.144 50 10 JKGE Fc1cc(Cl)c(Br)c(Cl)c1[C@@H](Br)c1ccc(Br)s1 2313742344 FTHKSNZCJRHHAR-JTQLQIEISA-N 497.836 7.203 50 10 JKGE CC1(C)CCC[C@@H]([C@H](Br)c2ccc(OCc3ccccc3)cc2Br)O1 2314443559 KICXSEWWAHQCID-VQTJNVASSA-N 468.229 6.812 50 10 JKGE Brc1ccc(OCc2ccccc2)c([C@H](Br)C2CCC3(CC2)CC3)c1 2314452498 NVPWLSRMHFORIM-OAQYLSRUSA-N 464.241 7.435 50 10 JKGE C[C@]1(C(F)(F)F)C[C@H]1[C@@H](Br)c1cc(Br)ccc1OCc1ccccc1 2314460694 OAIZQRPLOFQSTR-SZMVWBNQSA-N 478.146 7.053 50 10 JKGE Brc1cc(OCc2ccccc2)ccc1[C@H](Br)[C@H]1CC12CCCCC2 2314460716 ODCLEKORDROJAW-CTNGQTDRSA-N 464.241 7.435 50 10 JKGE CCOc1ccc(NC(=O)C(C#N)=Cc2cn(-c3ccccc3)nc2-c2ccc(Cl)cc2)cc1 2314490037 XIQVKLGQROSNOE-UHFFFAOYSA-N 468.944 6.137 50 10 JKGE C[C@H]1C[C@@H]([C@@H](Br)c2cc(Br)ccc2OCc2ccccc2)C[C@@H](C)O1 2314496973 GSNQQTQRJDEXAM-PWAOUJBFSA-N 468.229 6.668 50 10 JKGE Cc1cccn2c(=O)c(C=C(C#N)C(=O)Nc3cccc(Cl)c3)c(Oc3ccccc3Cl)nc12 2314534128 ZCEREIDAXYBPAC-UHFFFAOYSA-N 491.334 5.648 50 10 JKGE CC[C@@H](C)N1C(=O)C(=Cc2ccc(OCc3ccc(Cl)cc3Cl)c(OC)c2)C(C)=C(C#N)C1=O 2314610195 DTZUHSPITAJIHP-OAHLLOKOSA-N 499.394 5.972 50 10 JKGE CC1=C(C#N)C(=O)N(Cc2ccccc2Cl)C(=O)C1=Cc1ccc(OCc2ccccc2)cc1 2314620203 MLBFORZBMUZURE-UHFFFAOYSA-N 468.940 5.711 50 10 JKGE CCOc1ccc(N(C(=O)C(C#N)=Cc2ccccc2OC)S(=O)(=O)c2ccc(Cl)cc2)cc1 2314777544 JFQZYLXYDSLHSW-UHFFFAOYSA-N 496.972 5.076 50 10 JKGE COc1c(Br)cc(C)c([C@H](Br)[C@@H](C)C(F)F)c1Br 2317410676 MSSJBEFHZWMQTR-HZGVNTEJSA-N 450.943 5.866 50 10 JKGE Cc1ccc([C@H](Br)c2csc(C)c2Br)c(C)c1Br 2320488584 FNAMSGJRQRNNHG-AWEZNQCLSA-N 453.037 6.683 50 10 JKGE COC(=O)c1ccc2c(O)nc(C(C#N)=Cc3cccc(OCc4cccc(Cl)c4)c3)nc2c1 2331046455 ZOFXPEYDIUPJOO-UHFFFAOYSA-N 471.900 5.419 50 10 JKGE Cc1ccc(N2C(=O)c3ccc(C(O)=C(C#N)c4nc(-c5ccccc5)cs4)cc3C2=O)c(C)c1 2331301051 PVBJUPLHXIEOAD-UHFFFAOYSA-N 477.545 6.177 50 10 JKGE C[C@@H](c1ccccc1)N1C[C@H](C(O)=C(C#N)c2nc(-c3cccc4ccccc34)cs2)CC1=O 2331339315 XZSCXKQZKDSDLG-GHTZIAJQSA-N 465.578 6.366 50 10 JKGE CCCCCCCOc1ccc(-c2csc(C(C#N)=C(O)c3ccccc3Br)n2)cc1 2331344843 RBKOMTIYGOACEA-UHFFFAOYSA-N 497.458 7.872 50 10 JKGE CCOc1cc(C=C(C#N)c2nc(-c3cccc([N+](=O)[O-])c3)cs2)ccc1OCc1ccccc1C 2331416210 UZDHRVGDQIDQHV-UHFFFAOYSA-N 497.576 7.069 50 10 JKGE CCCCCCOc1ccc(C=C(C#N)c2nc(-c3cccc(Br)c3)cs2)cc1OC 2331432161 XNJTXUAXDYPDMV-UHFFFAOYSA-N 497.458 7.604 50 10 JKGE COc1cc(C=C(C#N)c2nc(-c3ccc(OC)c(C)c3C)cs2)ccc1OCc1ccccc1 2331467514 YTUCVQGITKXNOH-UHFFFAOYSA-N 482.605 7.087 50 10 JKGE COCC12CC([C@H](Br)c3cc(Br)ccc3OCc3ccccc3)(CO1)C2 2336043222 ZTMIQIJPIKHZGX-QNGMFEMESA-N 482.212 5.660 50 10 JKGE CC(C)(C)[C@@H](C[C@H](Br)c1ccc(OCc2ccccc2)cc1Br)C(F)F 2336079728 VMDLXKLHJCDVCD-HKUYNNGSSA-N 490.226 7.782 50 10 JKGE Clc1cc(I)c([C@H](Br)c2cccc3ccccc23)s1 2338630306 LPKDUAYGEKTYLU-CQSZACIVSA-N 463.565 6.644 50 10 JKGE Cc1cc(Br)c(F)c(Br)c1[C@H](Br)[C@H]1COC(C)(C)C1 2339654087 PHEQTLMWHWMTAH-LDYMZIIASA-N 458.991 5.910 50 10 JKGE Cc1cc(Br)c(C(C)C)cc1[C@@H](Br)c1sccc1Br 2352792237 HVVALIKBURCDFS-CQSZACIVSA-N 467.064 7.189 50 10 JKGE CC(C)CC(CC(C)C)O[C@@H](CI)c1cccc(Br)c1 2360479105 IYFKMRWWWJGFQM-KRWDZBQOSA-N 453.202 6.403 50 10 JKGE Cc1cc(I)c(OC[C@@H](CBr)c2ccccc2)cc1Cl 2361590835 NHIJZGYZPJQOOB-CYBMUJFWSA-N 465.556 5.811 50 10 JKGE Fc1c(Br)cc(Cl)c([C@H](Cl)C[C@H]2CCCC2(F)F)c1Br 2362229362 SJGFIFNIZPGXJF-HTRCEHHLSA-N 454.939 7.110 50 10 JKGE Fc1cccc([C@H](Br)c2c(Cl)cc(Br)c(F)c2Br)c1F 2362256210 UHJXGAQLPWXBLU-JTQLQIEISA-N 493.342 6.767 50 10 JKGE CC[C@@]1([C@H](Br)c2c(C)cc(Br)c(OC)c2Br)CC1(F)F 2365190945 JUYCKJMHDDLUNK-OLZOCXBDSA-N 476.981 6.400 50 10 JKGE CC(C)[C@H](Br)C(C)(C)CNC(=O)c1cc(Br)ccc1Br 2366011080 YLWAAZNXXWRHPT-ZDUSSCGKSA-N 470.043 5.387 50 10 JKGE Brc1cccc([C@@H](CI)OCC2CCCCCCC2)c1 2368644302 SUSRIUWDRQGEFI-QGZVFWFLSA-N 451.186 6.302 50 10 JKGE Cl[C@@H]1CC[C@@H]2CCN(Cc3ccc(I)c(Br)c3)C[C@H]2C1 2377352911 DSCMLUJLFWGFGX-MGPQQGTHSA-N 468.604 5.283 50 10 JKGE COc1ccc(CN(C(=O)CCl)[C@@H](C(=O)NC2CCCCC2)c2ccc(Cl)cc2)cc1 3035139 BBQHNEFJQVWVHR-HSZRJFAPSA-N 463.405 5.106 50 10 JKGE Cc1cccc(C(=O)Nc2ccc(C(=O)NNC(=O)[C@H](C)Oc3ccc(-c4ccccc4)cc3)cc2)c1 14038639 QICCNGAMMQHYIN-NRFANRHFSA-N 493.563 5.143 50 10 JKGE Cc1ccc(C)c(N/C(SCc2cccc(F)c2)=C(/C#N)S(=O)(=O)c2ccccc2)c1 20325682 PFPRSGJWAFGYHU-WCWDXBQESA-N 452.576 5.954 50 10 JKGE Cc1ccc(Cc2cnc(NC(=O)/C(C#N)=C\c3ccc(-c4ccc(Cl)cc4)o3)s2)cc1 33148367 JFLKEHOKXDTSKM-UYRXBGFRSA-N 459.958 6.501 50 10 JKGE N#C/C(=C/c1ccc2noc(-c3ccccc3)c2c1)c1nc(-c2cc3ccccc3oc2=O)cs1 33471748 LNCWAICXSTWCOZ-NDENLUEZSA-N 473.513 6.789 50 10 JKGE CC/C(=C(\c1ccccc1)c1ccc(OCCNC(=O)N(CCCl)N=O)cc1)c1ccccc1 33650014 QMPIGOLIWOCECP-QPLCGJKRSA-N 477.992 6.366 50 10 JKGE N#C/C(=C/c1cn[nH]c1-c1ccccc1)c1nc(-c2cc3c(ccc4ccccc43)oc2=O)cs1 35519190 YQEPLLSRHAIHFZ-UNOMPAQXSA-N 472.529 6.524 50 10 JKGE 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 38431715 BCPWMPCOEAOEDD-HWBYGGPCSA-N 481.416 6.082 50 10 JKGE COc1ccccc1OCC(=O)Oc1ccc2c(c1)OC(N)=C(C#N)[C@H]2c1ccc(Cl)cc1Cl 38655225 SQZXBWRBHNIPOD-DEOSSOPVSA-N 497.334 5.205 50 10 JKGE CCCCOc1ccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4ccccc4C)ccc32)cc1OC 38660053 ZUQMBYFRHOEPMJ-HHHXNRCGSA-N 484.552 5.620 50 10 JKGE CCCCOc1ccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4cccc(C)c4)ccc32)cc1OCC 38683990 IBSVHSPVIGFVIS-NDEPHWFRSA-N 498.579 6.010 50 10 JKGE COc1ccc(OC)c([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4oc5ccc(C)cc5c4C)ccc32)c1 38688760 NNIKEMCYJJXQQN-AREMUKBSSA-N 496.519 5.504 50 10 JKGE N#C/C(=C\c1cn(-c2ccccc2)nc1-c1ccc(Cl)cc1)c1nc(-c2ccco2)cs1 39842862 NGIMGCUNGGTMPQ-QGOAFFKASA-N 454.942 6.973 50 10 JKGE Cc1ccc(Oc2nc3ccccn3c(=O)c2/C=C(/C#N)C(=O)Nc2ccccc2Cl)c(C)c1 39858866 PNGQBZQLFNSFSF-JXAWBTAJSA-N 470.916 5.303 50 10 JKGE N#C/C(=C\c1ccc(-c2cccc(Cl)c2Cl)o1)C(=O)Nc1cc(C(F)(F)F)ccc1Cl 39884849 OAEPBABHYICBPX-DHZHZOJOSA-N 485.676 7.471 50 10 JKGE Cc1c(C(=O)Nc2cccc(Cl)c2)oc2c1/C(=N/NC(=O)c1ccccc1Cl)CCC2 40812712 IFYZWBFUXYQGLK-OVVQPSECSA-N 456.329 5.618 50 10 JKGE CCN(C(=O)c1oc2c(c1C)/C(=N/NC(=O)c1cccc(Cl)c1)CCC2)c1cccc(C)c1 40813361 QPUZZBWRTUUVCO-SGWCAAJKSA-N 463.965 5.687 50 10 JKGE Cc1c(C(=O)N2c3ccccc3C[C@H]2C)oc2c1/C(=N/NC(=O)c1cccc3ccccc13)CCC2 40813555 UJLQIDQTYOUJAP-SHKMLGKFSA-N 477.564 5.803 50 10 JKGE COc1cc(/C=N/NC(=O)COc2cc(C)cc(C)c2)ccc1OCc1ccccc1Cl 40846840 APUJAXZUNBBUPE-MZJWZYIUSA-N 452.938 5.074 50 10 JKGE N#C/C(=C/c1cc(Cl)ccc1OCc1ccccc1Cl)C(=O)Nc1cccc(C(F)(F)F)c1 59245181 IXEVWKSWVATMDX-YVLHZVERSA-N 491.296 7.137 50 10 JKGE COc1cc(/C=C(\C#N)C(=O)Nc2cc(Cl)ccc2C)ccc1OCc1cccc(C(=O)O)c1 59250252 SAMFVWANKJJLFE-KEBDBYFISA-N 476.916 5.480 50 10 JKGE CCCCC1CCC(C(=O)N2c3ccc(C[C@H](Br)CC(C)C)cc3C[C@H]2C)CC1 71436768 CMPJNRIPMZALEV-CJHIUOCISA-N 462.516 7.313 50 10 JKGE CCC(CC)CNC(=O)c1ccccc1SSc1ccccc1C(=O)NCC(CC)CC 90414310 DXQVLLPCACQNNP-UHFFFAOYSA-N 472.720 6.818 50 10 JKGE CC1=C(C#N)C(=O)N(CCCOC(C)C)C(=O)/C1=C/c1ccc(-c2ccc(Cl)c(Cl)c2)o1 101336271 PYSJNMNVKLVUOP-LDADJPATSA-N 473.356 5.661 50 10 JKGE Brc1cccc(C[C@@H](Br)c2cccc(I)c2)c1 110303699 QNUKLPUICAOROH-CQSZACIVSA-N 465.954 5.732 50 10 JKGE Clc1cc([C@@H](Br)Cc2ccc(Br)cc2)sc1Br 127504768 PHLKGMBWGZEXJB-VIFPVBQESA-N 459.428 6.605 50 10 JKGE Cc1cc(Br)c([C@H](Br)c2cc3c(s2)CCSC3)cc1Br 128761189 SRMJSTARPBTMFP-HNNXBMFYSA-N 497.115 6.855 50 10 JKGE O=c1[nH]c2cc(Br)c([C@H](Br)c3cccc(F)c3Br)cc2[nH]1 156116717 YHLVYYCNSLDXSI-GFCCVEGCSA-N 478.941 5.005 50 10 JKGE Cc1cc([C@@H](Br)c2csc3c(Br)cccc23)sc1Br 163394175 VMZPJHFADUQWFH-LBPRGKRZSA-N 481.072 7.281 50 10 JKGE Clc1cc(Br)ccc1C[C@H](CBr)Cc1cccc(Br)c1 168951910 HDVWGQUAZYMOAV-GFCCVEGCSA-N 481.453 6.661 50 10 JKGE COc1cc(Br)cc(-n2c(CCl)nc3cc(I)ccc32)c1 169247162 LTMWZHORKWYEPV-UHFFFAOYSA-N 477.527 5.140 50 10 JKGE CCOC(=O)c1c(NC(=O)/C(C#N)=C\c2ccc(-c3ccc(C)cc3)o2)sc2c1CC[C@@H](CC)C2 209399688 ZDHYPEVMYATBRE-CTBJKRMSSA-N 488.609 6.554 50 10 JKGE O=C(NCc1cccc(CBr)c1)c1cc(Br)sc1Br 232451125 DTHXZMXIDMREBO-UHFFFAOYSA-N 468.008 5.098 50 10 JKGE Cc1cc([C@H](Cl)c2ccc(Br)cc2Br)sc1Br 235882947 ZDWDLNXOOKSRCX-LLVKDONJSA-N 459.428 6.672 50 10 JKGE Clc1ccc([C@@H](Cl)c2cc(Br)sc2Br)c(Br)c1 236041108 UBIWSHLWHJXOQN-SNVBAGLBSA-N 479.846 7.017 50 10 JKGE Cc1cccc(C(=O)Oc2ccc3ccccc3c2C=NNC(=O)COc2cccc3ccccc23)c1 254415254 PSVYLPSGQCTVOF-UHFFFAOYSA-N 488.543 6.050 50 10 JKGE O=C(CCC(=O)c1cccs1)OCC(=O)N(N=Cc1ccccc1)c1cccc(C(F)(F)F)c1 254771696 ZZGAHYQWCHITCU-UHFFFAOYSA-N 488.487 5.340 50 10 JKGE C[C@H](Cl)c1nc2cc(F)c(Br)cc2n1C[C@H]1CCN(Cc2ccccc2)C1 312246420 DPQPSDFYXGRDPH-HOCLYGCPSA-N 450.783 5.760 50 10 JKGE C[C@@H](CCn1c(CCCl)nc2cc(I)ccc21)N(C)Cc1ccccc1 379609693 HJQUDAAUKOWCQQ-INIZCTEOSA-N 481.809 5.333 50 10 JKGE BrC[C@H]1CN(Cc2ccccc2)C[C@@H]1c1cc(Br)cc(Br)c1 382740675 ZHAOOWCOOKMGKI-MAUKXSAKSA-N 488.061 5.822 50 10 JKGE Fc1cc(CBr)cc(OCc2cc(Cl)ccc2I)c1 405302918 OSFSBNLWTCBUKZ-UHFFFAOYSA-N 455.492 5.558 50 10 JKGE C[C@]1(n2c(CCCl)nc3cc(I)c(F)cc32)CCN(Cc2ccccc2)C1 405948997 DTDLNERXEDSOKV-NRFANRHFSA-N 497.783 5.182 50 10 JKGE CC(C)(C)[Si](C)(C)OCc1cccc([C@@H]2CN(S(=O)(=O)c3ccccc3)CCCO2)c1 616651029 OFKZLYUKJYBDPE-QHCPKHFHSA-N 461.700 5.361 50 10 JKGE C[C@H](Cl)c1nc2ccc(F)c(Br)c2n1[C@@H]1CN(Cc2ccccc2)C[C@H]1C 689777225 CDDPGVIWAXRXNY-QWQRMKEZSA-N 450.783 5.931 50 10 JKGE Cn1c(=O)oc2cc([C@@H](Br)c3scc(Br)c3Br)ccc21 705467288 XKIACKJNXTVCCA-SNVBAGLBSA-N 481.991 5.202 50 10 JKGE C[C@@H](Cl)c1nc2c(F)cccc2n1CC1(N(Cc2ccccc2)Cc2ccccc2)COC1 705782573 HTLBMRVZRFFYOT-HXUWFJFHSA-N 463.984 5.947 50 10 JKGE Brc1cc([C@H](Br)c2ccoc2Br)cc2c1OCCC2 709714677 XEXIZRPSHXPIRW-LBPRGKRZSA-N 450.952 5.614 50 10 JKGE Cc1cc(C=NNC(=O)CSCc2cccc(Cl)c2)c(C)n1-c1ccc(Cl)cc1Cl 1083907672 YUNFCJKSXHSGJM-UHFFFAOYSA-N 480.848 6.438 50 10 JKGE N#C/C(=C\c1ccccc1OCc1ccc(Cl)c(Cl)c1)C(=O)Nc1cccc(Cl)c1Cl 1083949373 GOIPFOYIFVNOFS-LFIBNONCSA-N 492.189 7.425 50 10 JKGE CCOc1ccc2nc(Sc3ccc(C=NNC(=O)c4cccc(Cl)c4)o3)sc2c1 1084194448 DXIUWHOVRYVEBK-UHFFFAOYSA-N 457.964 5.857 50 10 JKGE C[C@]12CC[C@@H]3c4ccc(O)cc4CC[C@@H]3[C@@H]1CCC2=NNC(=O)C(O)(c1ccccc1)c1ccccc1 1084320329 MYCPNYBYHGFOKA-LCUIVBHPSA-N 494.635 5.657 50 10 JKGE Cc1ccc(C)n1-c1ccc(C(=O)NN=Cc2cc(C)n(-c3ccc(C(=O)O)c(Cl)c3)c2C)cc1 1084382389 WUIVNAWQAGOMPU-UHFFFAOYSA-N 488.975 5.617 50 10 JKGE COc1cc(C=NNC(=O)COc2ccc(Cl)cc2)ccc1OCc1ccccc1Cl 1084657401 ILUNTUUDUZGRPY-UHFFFAOYSA-N 459.329 5.110 50 10 JKGE COc1ccc(-c2nn(Cc3ccccc3)c3c2[C@H](c2ccc(Cl)cc2)C(C#N)=C(N)O3)cc1 1865684168 VJCNQNJTNDUXGZ-HSZRJFAPSA-N 468.944 5.479 50 10 JKGE CC(C)c1ccc([C@H]2C(C#N)=C(N)Oc3c2c(C(F)(F)F)nn3Cc2ccc(F)cc2)cc1 1865684896 BHRWMBKAUZZNKE-IBGZPJMESA-N 456.443 5.431 50 10 JKGE CCc1nn(-c2ccccc2Cl)c2c1[C@@H](c1ccc(OCc3ccccc3)cc1)C(C#N)=C(N)O2 1865690459 RWNPHMAHJPLEMX-VWLOTQADSA-N 482.971 5.885 50 10 JKGE COc1ccc(-c2nn(-c3ccc(C)cc3)c3c2[C@@H](c2ccc(OC)cc2OC)C(C#N)=C(N)O3)cc1 1865707715 DKFUHBPMPSPMSP-VWLOTQADSA-N 494.551 5.092 50 10 JKGE COc1ccc(-c2nn(-c3cccc4ccccc34)c3c2[C@@H](c2cccc(F)c2)C(C#N)=C(N)O3)cc1 1865710625 CSBICEQVSGMJRH-SANMLTNESA-N 488.522 6.058 50 10 JKGE COc1cc(/C=C(\C#N)c2nc(O)c3ccccc3n2)ccc1OCc1ccc(Cl)c(Cl)c1 1872726807 MTHCRDFSHAXHJF-LICLKQGHSA-N 478.335 6.294 50 10 JKGE COc1cc(/C=C(\C#N)c2ccccc2[N+](=O)[O-])cc(Br)c1OCc1ccccc1 1872729441 KEVLRBZKBROEJF-WOJGMQOQSA-N 465.303 6.009 50 10 JKGE CCCCc1ccc(-c2csc(/C(C#N)=C(\O)C(c3ccccc3)c3ccccc3)n2)cc1 1872744796 IPKMJDLVKXMSDI-FVDSYPCUSA-N 450.607 7.777 50 10 JKGE CCCCc1ccc(N2C[C@H](/C(O)=C(\C#N)c3nc(-c4ccc(OC)cc4)cs3)CC2=O)cc1 1872746131 UBWXEVJFXDPXBJ-HZYJKNPPSA-N 473.598 6.007 50 10 JKGE CCCCc1ccc(N2C[C@@H](/C(O)=C(\C#N)c3nc(-c4ccc(OCC)cc4)cs3)CC2=O)cc1 1872747531 HTRQRZXJGCLXAQ-AQTDBHCXSA-N 487.625 6.397 50 10 JKGE CCCOc1ccc(-c2csc(/C(C#N)=C(\O)CCCOc3cc(C)c(Cl)c(C)c3)n2)cc1 1872749243 IBYBLDGFWFDTNR-GYHWCHFESA-N 483.033 7.521 50 10 JKGE CCCCCCOc1ccc(/C(O)=C(\C#N)c2nc(-c3cc(OCC)ccc3OCC)cs2)cc1 1872754748 GXTYHCDIOZNWAS-PNHLSOANSA-N 492.641 7.516 50 10 JKGE N#C/C(=C(/O)c1cc(C(F)(F)F)cc(C(F)(F)F)c1)c1nc(-c2ccc(Cl)s2)cs1 1872758424 ZHRSADHEXYWZNG-PTNGSMBKSA-N 480.842 7.512 50 10 JKGE COc1cc(/C=C(\C#N)c2nc(-c3ccc(F)c(F)c3)cs2)ccc1OCc1ccccc1 1872793371 WQRMABWZOZLSKL-RGVLZGJSSA-N 460.505 6.740 50 10 JKGE Clc1sccc1[C@H](Br)c1sc(Br)cc1Br 1909297261 XVVVSXCLYONJIC-ZETCQYMHSA-N 451.430 6.472 50 10 JKGE C[C@@]1(n2c(CCCl)nc3c(Br)cc(F)cc32)CCN(Cc2ccccc2)C1 1912662734 BSVSQRIEFZHDMK-OAQYLSRUSA-N 450.783 5.340 50 10 JKGE C[C@H](CCBr)N(Cc1ccccc1)C(=O)c1ccc(F)cc1I 1915131624 YLXZKNMKQOYNKQ-CYBMUJFWSA-N 490.154 5.246 50 10 JKGE CC[C@@H](C)c1ccc(S(=O)(=O)N(Cc2ccccc2)C2(CBr)CCC2)cc1 1915757370 ZDTQBDWMXACELX-GOSISDBHSA-N 450.442 5.709 50 10 JKGE Fc1cc(Cl)ccc1[C@@H](Br)c1c(Br)sc(Br)c1Cl 1923055559 VMUGNJUQZQBULV-MRVPVSSYSA-N 497.836 7.203 50 10 JKGE CC(C)(C)c1ccccc1[C@H](Cl)c1c(Br)sc(Br)c1Cl 1923066657 SKVIZPCTNIEQJM-NSHDSACASA-N 457.058 7.552 50 10 JKGE CC[C@@H]1OCC[C@@H]1[C@@H](Cl)c1c(Br)sc(Br)c1Br 1924583234 HOYWVBKAZCOTSA-ATVXKPNKSA-N 467.448 6.131 50 10 JKGE Cc1cc(Br)c([C@H](Cl)c2c(Cl)sc(Br)c2Cl)cc1Cl 1925590169 NMRVKWXBHBFVBW-VIFPVBQESA-N 483.867 7.870 50 10 JKGE CC1(C)CC[C@@H](Br)[C@@H](CNC(=O)c2csc(Br)c2Br)C1 1927069568 SZFDHQSXBXUTEZ-PSASIEDQSA-N 488.083 5.593 50 10 JKGE CC(C)(C1CCCCC1)[C@@H](Br)c1cc(Br)c(Br)s1 2032279703 UNDDRCSEFIIEFJ-LBPRGKRZSA-N 459.085 7.316 50 10 JKGE FC1(F)C[C@]12CC[C@@H]([C@H](Br)c1cc(Br)sc1Br)C2 2038547449 ACISVHZQQFIMTI-OUAIYISWSA-N 464.995 6.535 50 10 JKGE CCc1sc(Br)cc1[C@H](Br)c1c(Cl)cccc1Br 2050319487 MYIJJGUHCAULIW-ZDUSSCGKSA-N 473.455 6.973 50 10 JKGE CCc1sc(Br)cc1[C@H](Br)c1c(Br)nn(C)c1C 2067855033 MQEOGZHQEATVEO-NSHDSACASA-N 457.029 5.362 50 10 JKGE COc1cc(-c2cc(C(=O)NN=Cc3ccc(C(C)(C)C)cc3)c3ccccc3n2)cc(OC)c1OC 2069681969 BACIQUYFYPYXDH-UHFFFAOYSA-N 497.595 5.989 50 10 JKGE C[C@H](CBr)[C@@H]1CCCCN1Cc1cccc(Br)c1Br 2092329359 VPBBSOAYKRTLQX-RISCZKNCSA-N 454.044 5.597 50 10 JKGE Clc1ccc(Oc2c(CBr)ccc(Br)c2Cl)c(Br)c1 2098118021 SGNRDZHPWLWUQQ-UHFFFAOYSA-N 489.816 7.206 50 10 JKGE Cc1cc([C@@H](Br)c2cc(I)cc3c2OCC3)sc1Cl 2109072662 GKWPBVZKSUDYAP-LBPRGKRZSA-N 469.569 5.734 50 10 JKGE Brc1cccc(Br)c1C[C@H]1CCCCCCC[C@@H]1Br 2112485954 UTXIDRCTWWILLE-OCCSQVGLSA-N 453.056 6.878 50 10 JKGE Cc1cc([C@@H](Br)c2cc(I)ccc2F)c(Cl)cc1F 2113357208 CRCHTJJUMUYUMX-CQSZACIVSA-N 457.483 6.016 50 10 JKGE Fc1ccc(CC[C@H](Br)c2ccccc2Br)c(Br)c1 2113444049 HVGORHLRDVWNJV-AWEZNQCLSA-N 450.971 6.420 50 10 JKGE CC1(C)C[C@H](CBr)CN(Cc2cc(Cl)ccc2I)C1 2115964140 IVSOMAYRGCQFJT-LLVKDONJSA-N 456.593 5.188 50 10 JKGE Clc1cccc([C@H](CBr)Cc2cc(Br)ccc2Br)c1 2118525124 QNMCRUUBHOFVSU-LBPRGKRZSA-N 467.426 6.586 50 10 JKGE F[C@@H]1[C@@H](Br)C[C@H]2CC[C@H]1N2Cc1ccc(Br)cc1Br 2134127000 RDIIFIFHAPGPFQ-YXCITZCRSA-N 455.991 5.050 50 10 JKGE CC1(C)C[C@](C)(CBr)CN1C(=O)c1scc(Br)c1Br 2134827369 CJDJOHVCMDERSB-CYBMUJFWSA-N 474.056 5.299 50 10 JKGE CC[C@@H]1OCC[C@H]1[C@H](Br)c1c(C)c(Br)cc(C)c1Br 2136380937 XLQWKQXZHRJNSQ-GMXABZIVSA-N 455.028 6.080 50 10 JKGE Cc1cc(C)c(C)c([C@H](Br)c2sc(Br)c(C)c2Br)c1 2138304238 CFFSJCKQGBZOIK-ZDUSSCGKSA-N 467.064 6.991 50 10 JKGE COc1c(Br)cc(C)cc1[C@@H](Cl)c1ccc(I)cc1 2139016688 JWOBFDURUZWWSR-AWEZNQCLSA-N 451.529 5.699 50 10 JKGE Clc1cc(CN2[C@H](CBr)CCC23CCC3)ccc1I 2142943284 LEJCPRXYASTYKI-LBPRGKRZSA-N 454.577 5.227 50 10 JKGE CC(C)Cc1ccc([C@H](Br)c2c(Br)cccc2Br)cc1 2150494684 SEPAVLNHHZZKRC-KRWDZBQOSA-N 461.035 6.894 50 10 JKGE CN(Cc1ccccc1Br)c1c(CBr)ccc(Br)c1Cl 2154359736 BMFXWZZRFFNNDK-UHFFFAOYSA-N 482.441 6.396 50 10 JKGE Cc1sc(Br)c([C@H](Br)c2cc3c(cc2Br)OCC3)c1C 2157254779 LIRODQMHLWRUFA-CQSZACIVSA-N 481.047 6.309 50 10 JKGE C[C@@H](c1cnn(Cc2ccccc2)c1)n1c(CCl)nc2cc(Br)c(Cl)cc21 2159865149 QACVLEHAXYYVLS-ZDUSSCGKSA-N 464.194 6.045 50 10 JKGE Brc1ccc(O[C@@H]2C[C@@H](Br)[C@]23CCCC32CC2)c(Br)c1 2173659629 PNLRPZRLQADNLT-IIAWOOMASA-N 465.023 6.077 50 10 JKGE CCCOc1ccc(S(=O)(=O)N(Cc2ccccc2)CC(C)C)cc1CBr 2179825896 MPNLCPCUNWKDFC-UHFFFAOYSA-N 454.430 5.217 50 10 JKGE C[C@H](c1nscc1Br)N(C)c1cc(Br)cc(F)c1CBr 2186580240 JLIWCDIOTBCJTK-SSDOTTSWSA-N 487.030 5.900 50 10 JKGE Brc1cccc([C@H](Br)Cc2ccc(Br)c3nsnc23)c1 2202029694 SAOFRDZHIXEGMB-GFCCVEGCSA-N 477.019 5.895 50 10 JKGE CO[C@@H]1C[C@@H]([C@@H](Br)c2ccc(Br)c(C)c2Br)C12CCC2 2203686865 OSLHHNOGHQQSQX-LNSITVRQSA-N 467.039 6.161 50 10 JKGE Cc1sc(Br)c(C)c1[C@@H](Br)c1cc(Br)c(Cl)s1 2213636771 NCLPMVHJAPPHSX-VIFPVBQESA-N 479.484 7.089 50 10 JKGE Cn1nc(Br)c([C@@H](Cl)c2c(Br)sc(Br)c2Cl)n1 2214371932 AGWQWCANOJLMGG-VKHMYHEASA-N 484.826 5.146 50 10 JKGE Cc1cc(Br)c([C@@H](Br)c2ncsc2Br)c(C)c1Cl 2217609312 XUJHFHSNLBRLLV-SECBINFHSA-N 474.443 6.423 50 10 JKGE Cc1cc(Br)c([C@@H](Br)c2scc(Br)c2C)c(C)c1Cl 2226127580 XHAVPUNOPHTFIK-GFCCVEGCSA-N 487.482 7.336 50 10 JKGE Clc1cc(Cl)cc(C[C@H](Cl)c2ccc(I)c(Br)c2)c1 2232145293 BGPPRLYGQIZIPG-ZDUSSCGKSA-N 490.393 6.883 50 10 JKGE FC(F)([C@@H]1CCOC1)[C@H](Br)c1c(Br)cc(Cl)c(Cl)c1Cl 2232508340 DPHBAKXTQKSLKS-BLTYZCFWSA-N 473.366 6.517 50 10 JKGE FC1(F)CCOC[C@H]1[C@@H](Br)c1c(Br)cc(Cl)c(Cl)c1Cl 2232510670 HRYDSPITGPCXML-SSDLBLMSSA-N 473.366 6.517 50 10 JKGE Cc1ccc([C@@H](Br)c2c(Br)cc(Cl)c(Cl)c2Cl)c(F)c1 2232514911 XQQKYJZAFGZJGI-GFCCVEGCSA-N 461.383 7.341 50 10 JKGE COc1c(C(C)C)cc(Br)cc1[C@H](Cl)c1sccc1I 2233166878 NNKLOZXEMUUHNM-ZDUSSCGKSA-N 485.612 6.575 50 10 JKGE COc1cc(F)ccc1[C@H](Br)c1cc(Br)c(Br)cc1F 2233981160 FEQLTZWSBUQVNK-AWEZNQCLSA-N 470.933 5.983 50 10 JKGE Fc1cc(F)c([C@H](Br)c2cccc(Br)c2F)c(F)c1Br 2236108538 JZMULQVTIWPLBU-SNVBAGLBSA-N 476.887 6.252 50 10 JKGE O=[N+]([O-])c1ccc(C[C@H](Br)c2cc(Br)sc2Br)c(F)c1 2237446671 RWZXMFUETAKEOC-VIFPVBQESA-N 487.970 5.999 50 10 JKGE COc1ccc([C@@H](Br)c2c(C)nsc2Br)c(Br)c1Cl 2268282067 WVSCFUPYAPWRNT-SECBINFHSA-N 490.442 6.123 50 10 JKGE CS(=O)(=O)c1csc([C@@H](Cl)Cc2cc(Br)cc(Br)c2)c1 2295277871 WAGLSJHEVBIUQC-LBPRGKRZSA-N 458.624 5.199 50 10 JKGE CCCOc1ccc(C=C(C#N)C(=O)Nc2sc(C(C)C)cc2C(=O)OCC)cc1OC 2295672692 SHAVLQQHGZWCQH-UHFFFAOYSA-N 456.564 5.391 50 10 JKGE Cc1ccc(-c2csc(C(C#N)=CNc3ccc(Cl)cc3C(=O)c3ccccc3)n2)cc1 2295956279 UUXPFOQXDYUSSY-UHFFFAOYSA-N 455.970 6.980 50 10 JKGE N#CC(=CNc1ccc(Cl)c(C(F)(F)F)c1)c1nc(-c2cc3ccccc3oc2=O)cs1 2296033183 FSVTVQVLOHOTIL-UHFFFAOYSA-N 473.863 6.565 50 10 JKGE COc1ccc(C=C2CCCC3=C2OC(N)=C(C#N)[C@@H]3c2ccc(OC)c(OC)c2)cc1OC 2296907825 BVCLYSPLOMWMFS-RUZDIDTESA-N 460.530 5.050 50 10 JKGE COc1ccc([N+](=O)[O-])cc1-c1ccc(C=C(C#N)C(=O)Nc2cccc(Br)c2)o1 2297331045 WTIYNVJYNUPUBU-UHFFFAOYSA-N 468.263 5.172 50 10 JKGE Cc1cc(Br)c([C@H](Cl)c2cc(Br)ccc2OCc2ccccc2)s1 2299492891 JESLLUXVFLVJQM-GOSISDBHSA-N 486.656 7.489 50 10 JKGE CC[C@]1([C@@H](Br)c2ccc(OCc3ccccc3)cc2Br)CC1(F)F 2299525507 OLQOTLKNKHSXRY-ZWKOTPCHSA-N 460.156 6.900 50 10 JKGE C[C@@H]1CCC[C@H](Br)[C@@H]1Cc1ccc(I)c(Br)c1 2306200227 VQWISACVFQVRER-JLLWLGSASA-N 472.002 5.796 50 10 JKGE CCOc1cc(C=C(C#N)C(=O)Nc2ccccc2CC)ccc1OCc1ccc(Cl)cc1 2313681194 SFJQSOLZTNBISO-UHFFFAOYSA-N 460.961 6.426 50 10 JKGE CCCCCCOc1ccc(C=C(C#N)C(=O)Nc2cc(C)c(Cl)cc2OC)cc1OC 2314732177 LUSKIWGCDZVXIY-UHFFFAOYSA-N 456.970 6.170 50 10 JKGE CCCOc1ccccc1C=C(C#N)C(=O)Oc1ccc(C(=O)Nc2ccc(OC)cc2)cc1 2314773917 JFIZKLUNHYICOK-UHFFFAOYSA-N 456.498 5.249 50 10 JKGE COc1cc(C=CC#N)ccc1OC(=O)COc1c(Cl)c(Cl)c(Cl)c(Cl)c1Cl 2314795734 KTLVKNWIADOVQR-UHFFFAOYSA-N 481.546 6.483 50 10 JKGE Clc1cc(I)c([C@H](Br)Cc2c(Cl)cccc2Cl)s1 2316777091 JSXGGINWCBDRBV-SSDOTTSWSA-N 496.422 6.992 50 10 JKGE Cc1scc([C@H](Br)c2cc(Br)c(Cl)cc2F)c1Br 2320486089 PBTLAEVJYSBVQZ-GFCCVEGCSA-N 477.418 6.858 50 10 JKGE Cc1scc([C@@H](Cl)c2ccc(Br)c(C)c2Br)c1Br 2320488900 JAYQIVPPNKRJOR-ZDUSSCGKSA-N 473.455 6.981 50 10 JKGE COc1ccc(C=C(C#N)C(=O)Nc2nc(-c3ccc(Br)cc3)cs2)cc1OC 2329703226 BJCRJTRPTWBHNW-UHFFFAOYSA-N 470.348 5.135 50 10 JKGE COc1ccc(C=CC(O)=C(C#N)c2nc(-c3ccc(OC)c(OC)c3)cs2)c(OC)c1 2331242238 GOZAVFATTUEMQK-UHFFFAOYSA-N 450.516 5.351 50 10 JKGE N#CC(=C(O)c1ccccc1C(=O)c1ccccc1)c1nc(-c2ccc(Br)cc2)cs1 2331259728 USDPFTVEKLSHAG-UHFFFAOYSA-N 487.378 6.753 50 10 JKGE COc1ccc(-c2csc(C(C#N)=C(O)C=Cc3ccc(OCc4ccccc4)cc3)n2)cc1 2331276286 FBBULAVPGAJQEG-UHFFFAOYSA-N 466.562 6.904 50 10 JKGE N#CC(=C(O)c1c(Cl)ccc(Cl)c1Cl)c1nc(-c2ccc3c(c2)OCCO3)cs1 2331330679 BGRMRCWFNLVDJI-UHFFFAOYSA-N 465.745 6.491 50 10 JKGE CC[C@H](C)[C@@H](C(O)=C(C#N)c1nc(-c2ccc(C(C)(C)C)cc2)cs1)N1C(=O)c2ccccc2C1=O 2331332843 UESNKORUSIIABN-XDHUDOTRSA-N 499.636 6.611 50 10 JKGE COCCCN1C(=O)c2ccc(C(O)=C(C#N)c3nc(-c4cccc5ccccc45)cs3)cc2C1=O 2331337944 MDSOZULOPVVPTD-UHFFFAOYSA-N 495.560 5.546 50 10 JKGE COc1cc(Cl)c(C)cc1-c1csc(C(C#N)=C(O)c2ccc(NS(C)(=O)=O)cc2)n1 2331390659 ZNAOWWOKZDXGDN-UHFFFAOYSA-N 475.979 5.102 50 10 JKGE COc1c(Cl)cc(-c2csc(C(C#N)=C(O)CNC(=O)c3ccccc3)n2)cc1Cl 2331397936 JYDYAQUWHDCEPP-UHFFFAOYSA-N 460.342 5.348 50 10 JKGE COc1cc(C=C(C#N)c2nc(-c3ccc(C(C)C)cc3)cs2)ccc1OCCc1ccccc1 2331456637 NQOVXHWUIHHGLT-UHFFFAOYSA-N 480.633 7.628 50 10 JKGE CC1(C)C[C@H]([C@H](Br)c2cc(Br)ccc2OCc2ccccc2)C(C)(C)O1 2336050533 LGBXYGBKVSGDIA-UYAOXDASSA-N 482.256 7.058 50 10 JKGE CC(C)(C)OC(=O)N1CCC(CI)(OC[C@H]2C[C@H]3CCC[C@H]2CC3)CC1 2338898637 GPYFEPMEHMFSIG-OKZBNKHCSA-N 477.427 5.424 50 10 JKGE Cc1cc([C@H](Br)c2ccc(Cl)cc2I)c(C)cc1F 2340065777 WMLOLNFBQSILRZ-OAHLLOKOSA-N 453.520 6.185 50 10 JKGE Brc1ccc([C@H](Br)c2cc3c(cc2Br)OCCC3)s1 2343596814 SWNHBSKIFSELQY-CQSZACIVSA-N 467.020 6.082 50 10 JKGE CC1(C)[C@H]2CO[C@]1(COc1c(Br)cc(CBr)cc1Br)C2 2359774204 GMQHSTDGAXMUIN-BMIGLBTASA-N 469.011 5.300 50 10 JKGE Fc1ccc(C(F)(F)F)cc1[C@H](Cl)c1sc(Cl)cc1I 2363891436 IIUKQQSYGBUZIL-JTQLQIEISA-N 455.041 6.492 50 10 JKGE Cc1cc(Br)c(F)c(Br)c1[C@H](Br)[C@@H]1CC2(CCC2)CO1 2365223148 KOJSVGBHPOESHP-CMPLNLGQSA-N 471.002 6.054 50 10 JKGE Cc1cc(Br)c(F)c(Br)c1[C@@H](Cl)c1ccc(Br)cc1F 2365224044 TZOTYCDABILKEA-ZDUSSCGKSA-N 489.379 6.889 50 10 JKGE CN(Cc1c(Br)cccc1Br)c1cccc(F)c1CBr 2366163503 WVPHUAIFKOSGKQ-UHFFFAOYSA-N 465.986 5.882 50 10 JKGE F[C@]12CCC[C@]1(CBr)CN(Cc1ccc(Cl)cc1I)C2 2366701486 JBVXWBLBSYOZNM-GJZGRUSLSA-N 472.567 5.034 50 10 JKGE Cc1ccc(CBr)c(OCc2ccc(Br)c(F)c2)c1Br 2380662223 PZUMMGDSTNCFBM-UHFFFAOYSA-N 466.970 6.133 50 10 JKGE FC(F)(F)[C@H]1C[C@@H]([C@@H](Br)c2c(Br)cc(Cl)c(Cl)c2Cl)C1 2380890029 RIVKSSFZONSWDX-IKMPGZOFSA-N 475.357 7.434 50 10 JKGE C/C(=N\NC(=O)[C@@H]1C[C@H]1c1ccccc1)c1ccc(NC(=O)c2ccc(Cl)cc2Cl)cc1 20157969 VCWXLGAMONAJQH-HRJQXVGNSA-N 466.368 5.890 50 10 JKGE COc1ccc(C=NNC(=O)c2ccc(-c3ccccc3)cc2)cc1COc1cccc2cccnc12 20568776 MMQBKHFXEVQNNH-UHFFFAOYSA-N 487.559 6.253 50 10 JKGE CCOC(=O)/C(C#N)=C/C=C(\Sc1nc2ccc(OCC)cc2s1)c1ccc(Cl)cc1 33881497 QIQYHELJLCLEGS-XUNRKFEOSA-N 471.003 6.495 50 10 JKGE N#C/C(=C/c1ccc(-c2cc(C(F)(F)F)ccc2Cl)o1)C(=O)Nc1cccc(Br)c1 34780781 SFIPHHUCRTUXOD-WQLSENKSSA-N 495.682 6.927 50 10 JKGE N#C/C(=C\c1cn(-c2ccccc2)nc1C12CC3CC(CC(C3)C1)C2)c1nc2ccccc2s1 35447063 FYNBUBAVNWEAKZ-LPYMAVHISA-N 462.622 7.014 50 10 JKGE C=CCN1C(=O)C(C#N)=C(C)/C(=C\c2ccc(OCc3ccc(Cl)cc3)c(OCC)c2)C1=O 38607787 GWFRHYDRTOKEMI-FYJGNVAPSA-N 462.933 5.096 50 10 JKGE CC(C)c1ccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4ccccc4[N+](=O)[O-])ccc32)cc1 38649491 HZJHIMKLHNUVPX-XMMPIXPASA-N 455.470 5.156 50 10 JKGE CC(C)c1ccc(O[C@@H](C)C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@@H]3c2ccc([N+](=O)[O-])cc2)cc1 38654990 SGIJFKGBZSYBHT-MRDQGFSESA-N 499.523 5.309 50 10 JKGE CCOc1ccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4ccc(C(C)(C)C)cc4)ccc32)cc1 38685604 JFOOAJQNOBQQQC-AREMUKBSSA-N 468.553 5.820 50 10 JKGE N#C/C(=C\c1ccc2noc(-c3ccc(Cl)cc3)c2c1)c1nc(-c2ccc(F)cc2)cs1 39885014 KHYNAQPZERUPLS-WOJGMQOQSA-N 457.917 7.475 50 10 JKGE O=C(NNc1ncnc(Nc2ccc(F)c(Cl)c2)c1[N+](=O)[O-])C(c1ccccc1)c1ccccc1 40659359 IKGXGFUANIMCEN-UHFFFAOYSA-N 492.898 5.196 50 10 JKGE Cc1cc(OC(=O)c2oc3c(c2C)/C(=N/NC(=O)c2ccc(Cl)cc2)CCC3)cc(C)c1Cl 40811717 CIGYNXCJTCEGCU-TURZUDJPSA-N 485.367 6.201 50 10 JKGE CCCOc1ccc(-c2nn(-c3ccccc3)cc2/C=C(/C#N)c2nc3ccccc3[nH]2)cc1C 50838185 WAJJGIPCJIDNLD-XLNRJJMWSA-N 459.553 6.577 50 10 JKGE CC(C)Cc1ccc([C@H](C)C(=O)N/N=C2\C(=O)N(Cc3ccccc3F)c3ccccc32)cc1 59146836 ZFWJPONMGDAXHO-BKXFLVDTSA-N 457.549 5.195 50 10 JKGE C=CCc1cc(/C=C(\C#N)C(=O)N2CCN(c3ccccc3)CC2)ccc1OCc1ccccc1C#N 59333257 KMKNQNYJMPPBGC-VFCFBJKWSA-N 488.591 5.122 50 10 JKGE CCc1ccccc1C(=O)Oc1ccc(N(CCBr)CCBr)cc1 95719673 RMHWROMEMLMRSO-UHFFFAOYSA-N 455.190 5.064 50 10 JKGE CCCC[C@H](CC)CN(C(=O)CCl)[C@@H](C(=O)NC1CCCCC1)c1ccc(Cl)cc1 97914299 YZBAHIQECUWVMB-FDDCHVKYSA-N 455.470 6.114 50 10 JKGE CCOc1ccc([C@H](C(=O)NC2CCCCCC2)N(Cc2ccccc2)C(=O)CCl)cc1OC 97914945 ACLONJGEQRRPFP-AREMUKBSSA-N 487.040 5.242 50 10 JKGE CCOc1ccc(N2C(=O)[C@H](Cc3ccccc3C)S/C2=C(/C#N)C(=O)Nc2ccc(C)cc2)cc1 101246198 CJRWPPGPUFZQFR-HFVAWESISA-N 497.620 5.767 50 10 JKGE CCCCCCCOc1ccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)Cc4ccccc4)ccc32)cc1 101378143 OAUXETCTUSXXLD-SSEXGKCCSA-N 496.607 6.402 50 10 JKGE Cc1cc(C)cc(Oc2nc3ccccn3c(=O)c2/C=C(/C#N)c2nc3ccccc3s2)c1 102683223 WCDYLVNQHAOIEA-JXAWBTAJSA-N 450.523 5.778 50 10 JKGE CCOc1ccc([C@@H](Br)c2cccc(F)c2Br)c(Br)c1 156130375 UHZCAKMSIBJKME-CQSZACIVSA-N 466.970 6.234 50 10 JKGE Brc1ccsc1[C@H](Br)c1csc2c(Br)cccc12 163400674 XJSJEQOMGFNLFU-LLVKDONJSA-N 467.045 6.972 50 10 JKGE Brc1ccc(I)c([C@@H](Br)c2ccc3c(c2)CCO3)c1 232484807 NNFRCHIXYAWWCE-HNNXBMFYSA-N 493.964 5.473 50 10 JKGE CC(C)(C)c1ccc([C@@H](Br)c2cc(Cl)ccc2I)cc1 232560962 NEYYBEGYDXBVDP-MRXNPFEDSA-N 463.584 6.726 50 10 JKGE Cc1cc(F)c([C@H](Cl)c2cc(I)ccc2Br)cc1F 235924146 JEQBYVWNNIGKRL-CQSZACIVSA-N 457.483 5.969 50 10 JKGE O=C1Cc2cc([C@@H](Cl)c3cc(Br)sc3Br)c(Cl)cc2N1 236045436 FSMONCWGMXWPAN-GFCCVEGCSA-N 455.986 5.749 50 10 JKGE COc1ccc(C(=O)NN=Cc2ccc(OCc3c(Cl)cccc3Cl)c(OC)c2)cc1 252620722 MKODGIKGEUJNEJ-UHFFFAOYSA-N 459.329 5.354 50 10 JKGE CCCCCCCCCCCC(=O)NN=Cc1ccc(OC(=O)c2ccc(OC)cc2)c(OC)c1 254342974 XIZBXKAKRHDBMW-UHFFFAOYSA-N 482.621 6.294 50 10 JKGE Cc1cc(C=NNC(=O)C(=O)Nc2cccc3ccccc23)c(C)n1-c1ccccc1C(F)(F)F 254622946 NDONZYFSRQFSNV-UHFFFAOYSA-N 478.474 5.355 50 10 JKGE C[C@H]([C@H]1CCN(Cc2ccccc2)C1)n1c(CCCl)nc2cc(I)ccc21 313041806 RMKSAGCLLKQFAJ-AEFFLSMTSA-N 493.820 5.505 50 10 JKGE Cc1ccc([C@H]2CN(Cc3ccccc3)C[C@H]2CI)c(Br)c1 382689028 KORZYEZDLNLFKK-AEFFLSMTSA-N 470.192 5.408 50 10 JKGE CC(C)(C)OC(=O)N1C[C@@H](CBr)[C@@H](c2ccc(Br)cc2Cl)C1 382704239 DUTAEHYUJIKUOH-MFKMUULPSA-N 453.602 5.448 50 10 JKGE COc1ccc(Cl)cc1[C@H]1CN(C(=O)OCc2ccccc2)C[C@@H]1CI 382709470 WSTKVHAXNGHBMO-YJBOKZPZSA-N 485.749 5.136 50 10 JKGE C[C@H](Cl)c1nc2cc(I)ccc2n1C(C)(C)COCc1ccccc1 389960371 LVUIYEWQSOJBQM-AWEZNQCLSA-N 468.766 5.893 50 10 JKGE Fc1cc(Br)c([C@H](Br)c2cc(Cl)ccc2Br)c(F)c1F 398730522 MFKAODBDDDPHIJ-LLVKDONJSA-N 493.342 6.767 50 10 JKGE N#CSc1ccc(NC(=O)c2ccc(NC(=O)NC(c3ccccc3)c3ccccc3)cc2)cc1 586618265 ZQARVIPPRPCEKX-UHFFFAOYSA-N 478.577 6.423 50 10 JKGE Fc1ccc([C@@H](Br)c2cc(Br)ccc2Cl)c(F)c1Br 691638769 ZZGBGIYNERAUFR-LLVKDONJSA-N 475.352 6.628 50 10 JKGE BrCc1cc(Br)c(OCCCOC2CCCC2)c(Br)c1 699591470 TURDAXYLVHGZKO-UHFFFAOYSA-N 471.027 5.835 50 10 JKGE O=C(NC[C@H]1CCC[C@H](CBr)C1)c1scc(Br)c1Br 705420409 RVZKRZYDKWHWFS-IUCAKERBSA-N 474.056 5.204 50 10 JKGE Cc1sc([C@@H](Br)c2ccc(Br)cc2F)c(C)c1Br 724926734 BSFOQGDGEDRIEC-LBPRGKRZSA-N 457.000 6.513 50 10 JKGE Cc1ccccc1Cn1c(C)c(C=NNC(=O)c2ccccc2Br)c2ccccc21 1084007613 PYZXCOTXKSDACQ-UHFFFAOYSA-N 460.375 5.833 50 10 JKGE Cc1c(C(=O)N2CCCC[C@H]2C)oc2c1C(=NNC(=O)COc1ccc(Cl)cc1Cl)CCC2 1772749933 SCHUQTGKWLHKSO-CQSZACIVSA-N 492.403 5.145 50 10 JKGE Cc1ccc(COc2ccc3ccccc3c2C=NNC(=O)CSc2nc3ccccc3[nH]2)cc1 1772760496 SLUWERSAXHZFLY-UHFFFAOYSA-N 480.593 5.846 50 10 JKGE COc1ccc(-c2nn(-c3ccc(C)cc3)c3c2[C@H](c2ccc(N(C)C)cc2)C(C#N)=C(N)O3)cc1 1865683018 CZCRJYPUIRSRIV-RUZDIDTESA-N 477.568 5.141 50 10 JKGE COc1ccc(-c2nn(-c3ccccc3)c3c2[C@H](c2ccc(Cl)c(Cl)c2)C(C#N)=C(N)O3)cc1 1865684878 AYBFKZCTGSDTHY-JOCHJYFZSA-N 489.362 6.073 50 10 JKGE Cc1ccc(C)c(Cn2nc(-c3ccccc3)c3c2OC(N)=C(C#N)[C@H]3c2ccc(F)cc2)c1 1865708137 PCPZXEIWYKMPTK-XMMPIXPASA-N 450.517 5.573 50 10 JKGE N#CC1=C(N)Oc2c(c(-c3ccccc3)nn2-c2cccc(Cl)c2)[C@H]1c1ccccc1[N+](=O)[O-] 1865710262 SKALNDWOPZPBCJ-NRFANRHFSA-N 469.888 5.319 50 10 JKGE CCc1nn(Cc2ccccc2Cl)c2c1[C@H](c1ccc(C(F)(F)F)cc1)C(C#N)=C(N)O2 1865711313 VLJXBPBQMPZVEK-LJQANCHMSA-N 458.871 5.384 50 10 JKGE Cc1nn(Cc2ccc(F)cc2)c2c1[C@H](c1cccc(OCc3ccccc3)c1)C(C#N)=C(N)O2 1865712134 QBSGSJYLBWFHJJ-AREMUKBSSA-N 466.516 5.176 50 10 JKGE COc1ccc([C@H]2C(C#N)=C(N)Oc3c2c(C(F)(F)F)nn3-c2cccc3ccccc23)cc1 1865712926 MDYDMRSWEASHIQ-FQEVSTJZSA-N 462.431 5.271 50 10 JKGE Cc1nc(Nc2ccc(SC#N)cc2)cc(N2CCN3CCc4c(Cl)cccc4[C@H]3C2)n1 1868481093 ZMERTRZWMFHJOF-JOCHJYFZSA-N 463.010 5.175 50 10 JKGE COc1cccc(-c2nc(Nc3ccc(SC#N)cc3)cc(N3CC[C@@H](c4ccco4)C3)n2)c1 1868506407 XIJZFILCUUJQOV-LJQANCHMSA-N 469.570 6.056 50 10 JKGE CCc1ccc(-c2csc(/C(C#N)=C(\O)c3ccc4c(c3)C(=O)N(Cc3ccccn3)C4=O)n2)cc1 1872744341 NNJLXEABABFBOL-BZZOAKBMSA-N 492.560 5.514 50 10 JKGE Cc1cc(OC/C(O)=C(\C#N)c2nc(-c3ccc4c(c3)CCCC4)cs2)cc(C)c1Cl 1872745193 DNIZZPNANLIIHS-LNVKXUELSA-N 450.991 6.831 50 10 JKGE N#C/C(=C(/O)CCCOc1ccc2ccccc2c1)c1nc(-c2ccc3c(c2)OCO3)cs1 1872752497 GHBWYMVJGNXWLB-LNVKXUELSA-N 456.523 6.344 50 10 JKGE CCOc1ccc(-c2csc(/C(C#N)=C(\O)COc3c(C)ccc(C)c3C)n2)c(OCC)c1 1872755515 RCOFMGIBQCLEAF-LNVKXUELSA-N 464.587 6.404 50 10 JKGE COc1ccc(C)cc1-c1csc(/C(C#N)=C/c2ccc(OCc3ccccc3C)cc2)n1 1872791692 OWFJHGOSIABJDB-HZHRSRAPSA-N 452.579 7.079 50 10 JKGE N#C/C(=C\c1ccccc1OCc1ccc(Cl)cc1)c1nc(-c2cccc3ccccc23)cs1 1872792140 GXPBOZWCLGVUMS-XQNSMLJCSA-N 479.004 8.260 50 10 JKGE FC1(F)CC[C@@H](Cc2cccc(Br)c2Br)[C@H](Br)CC1 1881848601 DYVYKPVSYMPUDN-GXSJLCMTSA-N 460.982 6.343 50 10 JKGE C[C@H](CBr)N(Cc1ccccc1)C(=O)c1ccc(Br)cc1C(F)(F)F 1914226462 FQXWSIOCPLDDGO-GFCCVEGCSA-N 479.134 5.894 50 10 JKGE Cc1cc(Br)ccc1C(=O)N(Cc1ccccc1)C1(CBr)CCC1 1915756976 RCLOOHFJAQWTDV-UHFFFAOYSA-N 451.202 5.718 50 10 JKGE CN(Cc1cc(Cl)ccc1I)C[C@H](Cl)COCc1ccccc1 1916394562 OBDJCQBNWBJJBR-KRWDZBQOSA-N 464.174 5.201 50 10 JKGE Brc1cc(Br)c([C@@H](Br)c2cccc3ccccc23)s1 1922954304 MUMGHRJRPHAPGJ-AWEZNQCLSA-N 461.016 6.911 50 10 JKGE Cl[C@H](Cc1ccncc1Br)c1c(Br)cccc1Br 1924015184 BUKXBBGXLCOOSQ-GFCCVEGCSA-N 454.387 5.892 50 10 JKGE Cl[C@H](c1c(Br)sc(Br)c1Br)[C@@H]1CC[C@H]2C[C@H]1CO2 1924616219 MNWPGIUECVYAKZ-DOACCVQLSA-N 479.459 6.131 50 10 JKGE C[C@H]1COc2ccc([C@H](Br)c3ccc(I)c(Cl)c3)cc21 1925753023 FUJJRITZZQIXSH-FVMDXXJSSA-N 463.540 5.925 50 10 JKGE Cc1cc(C(=O)N(Cc2ccccc2)C2(CBr)CCC2)c(Br)s1 1939962096 GIAJVWOQGXQCQL-UHFFFAOYSA-N 457.231 5.779 50 10 JKGE Brc1cc([C@H](Br)Cc2nccs2)ccc1I 1995148529 CXGMPUWYUNSZIZ-MRVPVSSYSA-N 472.971 5.189 50 10 JKGE Fc1cc(Br)cc(N2CCC[C@H](OCc3ccccc3)C2)c1CBr 2013491624 XLUXGTOUHSGTQB-INIZCTEOSA-N 457.181 5.669 50 10 JKGE CCCCC[C@@H](CC)OC1(CI)CCN(C(=O)OC(C)(C)C)CC1 2026330213 ZXXANOBZJDZGPZ-MRXNPFEDSA-N 453.405 5.567 50 10 JKGE CCc1cc(Br)c([C@@H](Br)c2cc(C)ccc2Br)s1 2029236385 WLFCOEISRXSXFT-ZDUSSCGKSA-N 453.037 6.628 50 10 JKGE COc1cc(Br)c(C)cc1[C@H](Br)c1ccsc1Br 2029251040 FSLFEMZNWQNGDO-GFCCVEGCSA-N 455.009 6.074 50 10 JKGE Cc1cc(C(=O)C(C#N)=Cc2ccc(-c3ccc(Br)cc3)o2)c(C)n1C1CCCC1 2040465455 PAZWMTCIKVUIGN-UHFFFAOYSA-N 463.375 7.032 50 10 JKGE CCCC(CBr)(CCC)CN1CCC[C@@H](CNC(=O)OCc2ccccc2)C1 2044696364 LBSQFBUOIXPYCG-NRFANRHFSA-N 453.465 5.606 50 10 JKGE CC(C)CC(CBr)(CBr)Cc1cc(Br)ccc1Cl 2047993416 RZKFYMMLLMHDDK-UHFFFAOYSA-N 461.463 6.467 50 10 JKGE COc1ccc([C@@H](Br)c2cccc(Br)c2Br)cc1F 2092328936 QGGADHCOHVLVMU-CYBMUJFWSA-N 452.943 5.844 50 10 JKGE Fc1cc(F)c(F)c([C@@H](Br)c2csc(Br)c2Br)c1F 2093948299 ZCGUXBCQSUNVSL-ZETCQYMHSA-N 482.916 6.314 50 10 JKGE Brc1cc([C@@H](Br)c2cscc2OCc2ccccc2)cc2c1OCCC2 2100095036 XMOOKZITHCEJMA-HXUWFJFHSA-N 494.248 6.899 50 10 JKGE C[C@@H](Cn1c([C@@H](C)Cl)nc2cc(Cl)c(Br)cc21)N(C)Cc1ccccc1 2112697729 WQHKUNVKSXAKPN-UONOGXRCSA-N 455.227 6.273 50 10 JKGE Brc1ccc(Br)c([C@H](Br)[C@H]2CCCCC23CCC3)c1 2116988461 AOWGWMZMOKIUNJ-HIFRSBDPSA-N 451.040 7.008 50 10 JKGE Cc1cc(Cl)c(Br)cc1[C@@H](Cl)c1cc(I)ccc1F 2137645539 MGPBYITYIOEDAV-CQSZACIVSA-N 473.938 6.483 50 10 JKGE CC[C@@H](CC(F)(F)F)[C@@H](Br)c1ccc(Br)c(C)c1Br 2138847994 CCZNKLFDNLUHPL-QPUJVOFHSA-N 466.961 6.935 50 10 JKGE Cc1c(Br)ccc([C@H](Br)C2CCC(F)(F)CC2)c1Br 2138853971 RMSCYLRXJGODPC-CYBMUJFWSA-N 460.982 6.782 50 10 JKGE C[C@@H](Cl)c1nc2cc(I)ccc2n1[C@H]1CCCN(Cc2ccccc2)CC1 2160560587 RKWXQPSXDPOOHM-APWZRJJASA-N 493.820 6.168 50 10 JKGE ClCCc1nc2cc(Cl)c(Br)cc2n1C1(CCOCc2ccccc2)CC1 2169015972 UTFNXOFMORNQAU-UHFFFAOYSA-N 468.222 6.330 50 10 JKGE Fc1cc(Br)cc(N2CCC3(CCN(Cc4ccccc4)CC3)C2)c1CCl 2170694183 SYPWBYYQPCIHMY-UHFFFAOYSA-N 451.811 5.820 50 10 JKGE CCc1cc(Br)ccc1Oc1cc(Br)cc(F)c1CBr 2197472765 JELCRXBUQPPQTG-UHFFFAOYSA-N 466.970 6.600 50 10 JKGE Fc1cc(Br)c([C@@H](Br)c2cc(Cl)cc(Cl)c2)c(F)c1Cl 2201618067 HOMDGSUJIILSNT-NSHDSACASA-N 465.346 7.172 50 10 JKGE COc1c(Br)cc(C)cc1[C@H](Br)c1ccc(Br)c(Cl)c1 2203830262 OAKSLFLWUKJMAI-CQSZACIVSA-N 483.425 6.666 50 10 JKGE Cc1sc(Br)c(C)c1[C@@H](Cl)c1csc(Br)c1Br 2213632271 UHDZHEMWPCAFMM-VIFPVBQESA-N 479.484 7.042 50 10 JKGE CCc1sc(Br)cc1[C@H](Br)c1sc(C)cc1Br 2215943657 RTNHUKGWYJHZFS-NSHDSACASA-N 459.066 6.690 50 10 JKGE Fc1ccsc1[C@H](Br)c1c(Br)cc(Cl)c(Cl)c1Cl 2217618889 UAUNBMMNIHSDTI-MRVPVSSYSA-N 453.385 7.094 50 10 JKGE CCCC[C@@H](CC)[C@@H](Br)c1c(Br)cc(Cl)c(Cl)c1Cl 2224303257 UZXYKCALDIDQQM-PRHODGIISA-N 451.457 8.062 50 10 JKGE C[C@H]([C@H]1CCCO1)[C@@H](Br)c1c(Br)cc(Cl)c(Cl)c1Cl 2224317126 KZEJATSTCUZMHG-KNBVPPQFSA-N 451.413 6.660 50 10 JKGE CC[C@]1([C@@H](Br)c2c(Br)cc(Cl)c(Cl)c2Cl)CC1(F)F 2224321648 MLDJXNARPWXPAN-WDEREUQCSA-N 457.367 7.281 50 10 JKGE CCN(C[C@@](C)(CI)O[C@@](C)(CC)CCCC(C)C)C(=O)OC(C)(C)C 2226055952 DCNDCBFIYCBBLX-LEWJYISDSA-N 483.475 6.449 50 10 JKGE Cc1cc(Br)c([C@@H](Br)C(C)(C)CC(F)F)c(C)c1Br 2227356618 RVNYSCIXVDRURL-CYBMUJFWSA-N 462.998 6.946 50 10 JKGE Fc1cc(F)c(CBr)c(Oc2ccc(Br)cc2Br)c1 2227556449 WQRBDNROAILMJS-UHFFFAOYSA-N 456.906 6.177 50 10 JKGE CC1(C)CN(Cc2ccc(I)c(Cl)c2)C[C@H]1CCBr 2230159053 SQUFTODEXJYMKU-GFCCVEGCSA-N 456.593 5.188 50 10 JKGE Brc1cc([C@H](Br)c2ccc([C@@H]3CCOC3)s2)sc1Br 2231754089 HIZHKNMDAMOANJ-JMCQJSRRSA-N 487.076 6.323 50 10 JKGE Fc1cc([C@H](Br)c2c(Br)cc(Cl)c(Cl)c2Cl)ccc1Cl 2232514301 UONVNFVMGPZVRF-NSHDSACASA-N 481.801 7.686 50 10 JKGE FC(F)(F)[C@H]1CC[C@H]1COc1c(Br)cc(CBr)cc1Br 2232685073 KBURGUNPJFPMEV-IUCAKERBSA-N 480.944 6.074 50 10 JKGE CCOCc1cc(Br)c([C@@H](Br)c2ccc(F)c(Br)c2)s1 2233018782 FVTMXXRPHZDWMP-ZDUSSCGKSA-N 487.026 6.433 50 10 JKGE CSc1ccccc1[C@@H](Br)c1c(Br)cc(C)c(Br)c1C 2235604003 LWQGXQRBDBKTEZ-MRXNPFEDSA-N 479.075 7.035 50 10 JKGE Cc1c(Br)sc([C@@H](Cl)c2cccc(Cl)c2Br)c1Br 2256124542 CQMKPRFZVLIBSY-JTQLQIEISA-N 493.873 7.326 50 10 JKGE Cc1sc([C@H](Br)c2cccc(Cl)c2Br)c(Br)c1C 2256139789 ZNOHOEVYZNTLGU-GFCCVEGCSA-N 473.455 7.028 50 10 JKGE COc1cc(C)c(Br)cc1[C@@H](Br)c1scc(Br)c1Cl 2264598321 VULRNWAGCVUTCJ-LLVKDONJSA-N 489.454 6.728 50 10 JKGE CC1(C)C([C@@H](Br)c2c(F)cc(Br)c(F)c2Br)C1(C)C 2272739208 LFJWXWXECQEKLD-JTQLQIEISA-N 460.982 6.608 50 10 JKGE COc1c([C@@H](Br)c2c(Br)cc(Cl)c(Cl)c2Cl)csc1C 2287317529 PXKGKELFWMFECC-SNVBAGLBSA-N 479.448 7.272 50 10 JKGE O=C(c1cc(Br)c(Cl)s1)N1CCC(CBr)(C(F)F)CC1 2289944782 JXJWECDXJKHLBT-UHFFFAOYSA-N 451.558 5.046 50 10 JKGE COc1ccc(Cl)cc1NC=C(C#N)c1nc(-c2cc3c(ccc4ccccc43)oc2=O)cs1 2295882862 PWYSXYKFDUOUFG-UHFFFAOYSA-N 485.952 6.708 50 10 JKGE COc1sccc1[C@@H](Br)c1ccc(OCc2ccccc2)cc1Br 2299508505 JWTDIHFVBYYRMB-SFHVURJKSA-N 468.210 6.583 50 10 JKGE FC1(F)C[C@H](Br)[C@@H](Cc2ccc(I)c(Br)c2)C1 2306217966 VQEQIMCSUNAGCQ-WPRPVWTQSA-N 479.928 5.405 50 10 JKGE N#CC(=Cc1ccc(OCc2ccc(Cl)cc2Cl)cc1)C(=O)Nc1ccc(Cl)cc1 2313631800 VZPLLZUBKWLNQK-UHFFFAOYSA-N 457.744 6.771 50 10 JKGE CCCCOc1ccc(-c2nn(-c3ccccc3)cc2C=C2C(=O)N(C)C(=O)C(C#N)=C2C)c(C)c1 2314617556 DDAGKDSEDIQYPB-UHFFFAOYSA-N 480.568 5.249 50 10 JKGE C[C@@H]1C[C@]2([C@H](Br)c3c(Cl)cc(Br)c(F)c3Br)C[C@@H]12 2315451445 PEGAIAPZRXPIGK-OZSWBRGFSA-N 461.394 6.486 50 10 JKGE COCC1([C@H](Br)c2sc(Cl)cc2I)CCCCC1 2316605550 HXNLQALIRPVTKB-GFCCVEGCSA-N 463.606 6.039 50 10 JKGE COc1ccc(CC(=O)N(Cc2ccccc2)[C@H](C)CCBr)c(Br)c1 2316806260 ZCBHBYNMIXJVAW-OAHLLOKOSA-N 469.217 5.203 50 10 JKGE N#CC(=CNc1cc(C(F)(F)F)cc(C(F)(F)F)c1)C(=O)Nc1ccc(Oc2ccccc2)cc1 2318462447 JFUMVMOEGJKRDY-UHFFFAOYSA-N 491.391 6.975 50 10 JKGE COc1ccc(C(C#N)=Cc2ccc(OC(=O)C=Cc3ccc([N+](=O)[O-])cc3)c(OC)c2)cc1 2320506845 SROGXTRUOUOTSQ-UHFFFAOYSA-N 456.454 5.295 50 10 JKGE BrCc1cccc(OCc2ccc(I)c(Br)c2)c1 2325193451 SLVFYSUSTCOBEH-UHFFFAOYSA-N 481.953 5.528 50 10 JKGE Clc1ccc(I)cc1COC1(CI)CCCCC1 2327242525 RUIYNWNAQROQMI-UHFFFAOYSA-N 490.550 5.599 50 10 JKGE COc1ccc(C=C(C#N)C(=O)NCC[C@@H](C)c2cccc(-c3ccc(O)cc3)c2)cc1OC 2329701068 CLFILRKKPCGERX-LJQANCHMSA-N 456.542 5.293 50 10 JKGE COc1ccc(-c2csc(C(C#N)=C(O)c3cccc(Oc4ccccc4)c3)n2)cc1OC 2331242869 TWTCVZJXTCYZNU-UHFFFAOYSA-N 456.523 6.569 50 10 JKGE CCOC(=O)c1ccc(N2C[C@H](C(O)=C(C#N)c3nc(-c4cccc(Cl)c4)cs3)CC2=O)cc1 2331294187 ZUYCNPFUEIUOES-QGZVFWFLSA-N 493.972 5.486 50 10 JKGE CCCOc1ccc(-c2csc(C(C#N)=C(O)c3cc(OC)c(OC)cc3[N+](=O)[O-])n2)cc1 2331318746 XJHLOQVEWPLPCQ-UHFFFAOYSA-N 467.503 5.474 50 10 JKGE CC(C)[C@@H](C(O)=C(C#N)c1nc(-c2c[nH]c3ccccc23)cs1)N1C(=O)c2ccccc2C1=O 2331346755 ILMOJWHOKGAINE-QFIPXVFZSA-N 468.538 5.405 50 10 JKGE COc1ccc(-c2csc(C(C#N)=C(O)CCCN3C(=O)c4ccccc4C3=O)n2)cc1Cl 2331398183 PUBWDIZXNDHGJJ-UHFFFAOYSA-N 479.945 5.341 50 10 JKGE COc1cc(C=C(C#N)c2nc(-c3ccc(Cl)cc3)cs2)ccc1OCc1ccc(C)cc1 2331439954 IXFSLFWSHMYDPW-UHFFFAOYSA-N 472.997 7.424 50 10 JKGE CCCCCOc1ccc(C=C(C#N)c2nc(-c3ccc(OCC)cc3)cs2)cc1OCC 2331440482 YBFDUBBPTMROJZ-UHFFFAOYSA-N 462.615 7.241 50 10 JKGE CC(C)(C1CCCCC1)[C@H](Br)c1cc(Br)ccc1OCc1ccccc1 2336053655 KZZAIFMCQXYEFE-JOCHJYFZSA-N 480.284 8.071 50 10 JKGE Brc1ccc(OCc2ccccc2)c([C@H](Br)[C@H]2CCn3nccc3C2)c1 2336056811 LYTBKZCBCIRHIO-HRAATJIYSA-N 476.212 5.923 50 10 JKGE Clc1c(Br)sc(Br)c1[C@@H](Cl)[C@@H]1COC2(CCC2)CO1 2338784770 QRZRNXUASOREAW-XPUUQOCRSA-N 451.007 5.545 50 10 JKGE COC(C)(C)C1([C@@H](Br)c2ccc(Br)c(C)c2Br)CC1 2343680544 RLRXPRAPLZZMHD-ZDUSSCGKSA-N 455.028 6.161 50 10 JKGE FC1(F)CC[C@@H]2[C@@H]([C@@H](Br)c3c(Br)cc(Cl)c(Cl)c3Cl)[C@@H]21 2358398670 GXLILTKYBWXKPB-GGUYCOGGSA-N 469.378 7.137 50 10 JKGE COCC12CCC([C@H](Br)c3sc(Cl)cc3I)(CC1)CO2 2364116425 HINSBCXNNVATNH-IYXRBSQSSA-N 491.616 5.418 50 10 JKGE COc1cc([C@@H](Br)c2cc(Cl)cc(Br)c2OC)sc1Cl 2365835526 HKLURLFXXWQIFR-NSHDSACASA-N 461.002 6.319 50 10 JKGE CC(C)[C@H](Br)C(C)(C)CN(C)C(=O)c1scc(Br)c1Br 2365905823 TYTANFRPCOMYDN-LBPRGKRZSA-N 490.099 5.791 50 10 JKGE N#Cc1cc(CCl)ccc1OCc1cc(I)ccc1Br 2367520639 WPLDNXOBKSUWPH-UHFFFAOYSA-N 462.512 5.243 50 10 JKGE Cc1scc([C@@H](Br)c2cc(Br)cc3c2OCCC3)c1Br 2369584837 DJMFGNLPDTVLIC-AWEZNQCLSA-N 481.047 6.391 50 10 JKGE Cc1cccc(C[C@H]2S/C(=C(/C#N)C(=O)Nc3cccc(C)c3C)N(c3ccccc3)C2=O)c1 2213055 GVTGAHPAJOWFBX-RAMZYJDASA-N 467.594 5.677 50 10 JKGE CCc1ccc([C@H]2C(C#N)=C(N)N(c3ccc(Br)cc3)C3=C2C(=O)CC(C)(C)C3)s1 6284168 LDSYITPFFAAJFZ-OAQYLSRUSA-N 482.447 6.014 50 10 JKGE N#C/C(=C\c1ccc(OCc2cccc([N+](=O)[O-])c2)c(Br)c1)c1ccc(C(=O)O)cc1 13546870 OLHINPUNNJYDPM-VXLYETTFSA-N 479.286 5.699 50 10 JKGE N#C/C(=C/c1ccc(-c2cc(C(F)(F)F)ccc2Cl)o1)C(=O)Nc1cccc([N+](=O)[O-])c1 33339781 MKFLZYIVBJGVCL-WQLSENKSSA-N 461.783 6.073 50 10 JKGE Cc1ccc(C(=O)Oc2ccc(Br)cc2/C=N\NC(=O)c2ccc(Cl)cc2)cc1 33572526 BFQXITSCFVYTAW-MXAYSNPKSA-N 471.738 5.394 50 10 JKGE N#C/C(=C/c1cn(-c2ccccc2)nc1C12CC3CC(CC(C3)C1)C2)C(=O)NCc1ccco1 33939637 OEAWYMBFYKMCKN-UUYOSTAYSA-N 452.558 5.156 50 10 JKGE Cc1ccc(C(C)C)c(Oc2nc3ccccn3c(=O)c2/C=C(\C#N)c2nc3ccccc3n2C)c1 35549835 WSOBHLMRWYMZKO-CAPFRKAQSA-N 475.552 5.870 50 10 JKGE N#CC1=C(N)Oc2cc(OC(=O)c3cccc(Cl)c3)ccc2[C@H]1c1ccccc1Br 38678871 XJQBRGWJIDNDRY-OAQYLSRUSA-N 481.733 5.540 50 10 JKGE CCCCCOc1ccccc1[C@H]1C(C#N)=C(N)Oc2cc(OC(=O)c3ccccc3[N+](=O)[O-])ccc21 38686094 WCWOGHNTNQDIPO-AREMUKBSSA-N 499.523 5.601 50 10 JKGE Cc1ccc2oc(C(=O)Oc3ccc4c(c3)OC(N)=C(C#N)[C@H]4c3cccc(F)c3)c(C)c2c1 38700512 GHZQCRLLEFMKBZ-DEOSSOPVSA-N 454.457 5.626 50 10 JKGE N#C/C(=C\c1ccc2noc(-c3ccc(Cl)cc3)c2c1)c1nc(-c2ccc3ccccc3c2)cs1 39884999 GOCJRKOCJFTLEU-YDZHTSKRSA-N 489.987 8.489 50 10 JKGE Cc1cccc(C(=O)N/N=C2\CCCc3oc(C(=O)Oc4cccc5ccccc45)c(C)c32)c1 40811402 XRWTYJPZYWPLJL-QUPMIFSKSA-N 452.510 5.739 50 10 JKGE COc1cc(/C=C(\C#N)c2ccc(Cl)cc2)ccc1OC(=O)c1ccc(Br)cc1 40847908 LULJBAVHFUNANQ-LDADJPATSA-N 468.734 6.394 50 10 JKGE CCOc1cc(/C=C(/C#N)C(=O)Nc2ccc(C)cc2)ccc1OCc1cccc([N+](=O)[O-])c1 59335414 ADYHJDGGQDOJIE-BKUYFWCQSA-N 457.486 5.427 50 10 JKGE Cc1cc(C(=O)/C(C#N)=C\c2ccc(-c3ccc(Br)cc3)o2)c(C)n1C1CCCC1 96835761 PAZWMTCIKVUIGN-RGEXLXHISA-N 463.375 7.032 50 10 JKGE BrC[C@@H](Cc1ccc(Br)cc1)Cc1sccc1Br 97183320 LJXJPXPHRAMVQO-NSHDSACASA-N 453.037 6.069 50 10 JKGE CC1=C(C#N)C(=O)N(C2CCCC2)C(=O)/C1=C/c1cn(-c2ccccc2)nc1-c1ccc2ccccc2c1 101338506 KWXCGRLKWVZZNR-MTDXEUNCSA-N 498.586 6.227 50 10 JKGE CCCCCCCCCCOc1ccc(C(=O)N/N=C/c2ccc(Cl)c([N+](=O)[O-])c2)cc1 103734796 HNOSSHDZZFLTGW-NLRVBDNBSA-N 459.974 6.532 50 10 JKGE Brc1cc([C@@H](Br)[C@H]2CCOc3ccccc32)c(Br)s1 104193999 GQRYZZCNULRFMZ-ZANVPECISA-N 467.020 6.275 50 10 JKGE O=c1[nH]c2cc(Br)c([C@@H](Br)c3ccc(F)cc3Br)cc2[nH]1 109884345 GOZUVFUCRVSPFL-ZDUSSCGKSA-N 478.941 5.005 50 10 JKGE Cc1cc(Br)c([C@@H](Br)c2cc(Br)ccc2Cl)s1 114961668 OTPDDWSTZKQCRC-NSHDSACASA-N 459.428 6.719 50 10 JKGE Clc1cc([C@@H](Cl)c2csc(I)c2)sc1Br 127445740 CKNORCDRWFKREG-QMMMGPOBSA-N 453.979 6.158 50 10 JKGE CC(C)(C)c1ccccc1[C@H](Br)c1cc(Br)c(Br)s1 132911896 ZRAJNBJLPJQUFF-ZDUSSCGKSA-N 467.064 7.055 50 10 JKGE Cl[C@@H](c1ccc2cc(Br)ccc2c1)c1cc(Br)ccc1Br 159669325 KLWHXEBTWZDYPB-KRWDZBQOSA-N 489.432 7.456 50 10 JKGE COc1cc(/C=C(/C#N)c2nc3ccccc3s2)cc([N+](=O)[O-])c1OCc1cccc(C)c1 169939397 XTBGJBIUORYRGL-ODLFYWEKSA-N 457.511 6.165 50 10 JKGE CCCCCCCCCOc1ccc(/C=C(/C#N)c2nc3ccccc3n2CC)cc1Cl 169939936 GGRWGXLSMZEIMT-PYCFMQQDSA-N 450.026 7.903 50 10 JKGE CCOC(=O)c1c(NC(=O)/C(C#N)=C\c2ccc(-c3ccccc3F)o2)sc2c1CC[C@H](C)C2 209397975 MINYCYDXONVDSI-WSTOHFRZSA-N 478.545 5.994 50 10 JKGE CCCCOC(=O)c1ccccc1N/C=C(/C#N)C(=O)Nc1ccc(Cl)c(C(F)(F)F)c1 217249525 VUAMZDAPPUKJHU-YPKPFQOOSA-N 465.859 5.774 50 10 JKGE C[C@@H]1CCCC[C@@H]1NC(=O)[C@H](c1ccc(Cl)cc1)N(C(=O)CCl)c1ccc(Cl)cc1 230274929 WVMCCJIBNSDMCC-PDXHDDNESA-N 467.824 6.001 50 10 JKGE COc1cc(F)c(Br)cc1[C@H](Br)c1ccc(Br)cc1Cl 234913707 PUPUKGGXCAFXKO-CQSZACIVSA-N 487.388 6.497 50 10 JKGE COc1ccc([C@H](Br)c2ccoc2Br)c(OC)c1Br 235002004 JVPJVDHWWORMMU-JTQLQIEISA-N 454.940 5.306 50 10 JKGE Cl[C@H](c1cc(Br)ccc1I)c1cccc2ccccc12 236038582 UISMGBZXUWNBDZ-KRWDZBQOSA-N 457.536 6.535 50 10 JKGE Clc1ccc([C@@H](Br)c2cc(Cl)ccc2I)c(Cl)c1 236062252 UMOKHAFCRIXJAZ-CYBMUJFWSA-N 476.366 6.736 50 10 JKGE CCN(CC)c1ccc(/C=C(/NC(=O)c2ccccc2)C(=O)NN=Cc2cccc(Cl)c2)cc1 252611904 IOFXACWYTNIAAR-GMYZUSBHSA-N 474.992 5.107 50 10 JKGE O=C(NN=Cc1cc(Br)c(Sc2ccc(Cl)cc2)o1)c1cccc2ccccc12 254814306 HUYMXCCCPBIPBR-UHFFFAOYSA-N 485.790 6.764 50 10 JKGE Clc1cc([C@@H](Cl)c2sccc2I)sc1Br 306284199 CSJDUGOTPTYWMF-SSDOTTSWSA-N 453.979 6.158 50 10 JKGE O=C(OCc1ccccc1)N1C[C@H](c2ccc(CCl)cc2)[C@@H](CI)C1 382705762 FJJOGSZMKMZSSM-RBUKOAKNSA-N 469.750 5.213 50 10 JKGE C[C@@H](Cl)c1nc2cc(I)ccc2n1C[C@H]1CCCN1Cc1ccccc1 390584690 QITCVGSHTFICNX-CRAIPNDOSA-N 479.793 5.605 50 10 JKGE CC(C)(C)OC(=O)NCCN1CCO[C@H](c2ccc(CO[Si](C)(C)C(C)(C)C)cc2)CC1 616595250 ULIWRXLHBITCCX-QFIPXVFZSA-N 464.723 5.497 50 10 JKGE CC(C)(C)OC(=O)NCCN1CCOC[C@@H]1c1ccc(CCO[Si](C)(C)C(C)(C)C)cc1 616640023 RQDWQHVZZXWWSH-JOCHJYFZSA-N 464.723 5.149 50 10 JKGE CN(C(=O)OC(C)(C)C)c1ccccc1[C@H]1CN(CCO[Si](C)(C)C(C)(C)C)CCCO1 616653716 WGCVNLBSOIFXEP-JOCHJYFZSA-N 464.723 5.843 50 10 JKGE O=C(NC1(CCBr)CCCCC1)c1cc(Cl)ccc1I 687326764 GUAGDUUTVYBAFI-UHFFFAOYSA-N 470.576 5.162 50 10 JKGE COCc1cc(Br)c([C@H](Br)c2csc(Br)c2)s1 688080032 TZFJYDJRILHCKD-SNVBAGLBSA-N 461.038 5.965 50 10 JKGE FC(F)(F)c1ccc(Cl)c([C@H](Br)c2cc(Cl)c(Br)s2)c1 695014504 MSOSDQGSHNLTTI-JTQLQIEISA-N 468.947 7.321 50 10 JKGE C[C@H](COCc1ccccc1)CC(CBr)(CBr)c1cccc(F)c1 719442892 UYMUZAVWOYJXDG-INIZCTEOSA-N 458.209 6.096 50 10 JKGE C[C@@H](Cl)c1nc2cc(I)ccc2n1[C@@H]1CN(Cc2ccccc2)CC1(C)C 720702266 JOYVVMIEGJXTAH-FOIQADDNSA-N 493.820 6.024 50 10 JKGE COc1cc(C=NNC(=O)c2ccc(Cl)cc2Cl)ccc1Oc1ccccc1[N+](=O)[O-] 1083977294 JIQJAYGGBDHEDJ-UHFFFAOYSA-N 460.273 5.466 50 10 JKGE COc1ccccc1OCC(=O)NN=Cc1cc(Br)c(Sc2ccc(Cl)cc2)o1 1084005599 RWYBJIKLPANFFS-UHFFFAOYSA-N 495.782 5.384 50 10 JKGE O=C(NN=Cc1ccc(-c2ccc(Cl)cc2[N+](=O)[O-])o1)c1cc2cc(Br)ccc2o1 1084468747 XIHXTGBBFFDHIU-UHFFFAOYSA-N 488.681 5.781 50 10 JKGE Cc1cc(C=NNC(=O)c2cc3cc(Br)ccc3o2)c(C)n1-c1ccc(C(C)(C)C)cc1 1084607570 YPVFXBOGKJPLQF-UHFFFAOYSA-N 492.417 6.664 50 10 JKGE O=C(Nc1ccc(OC(F)(F)F)cc1)N(CCc1ccc([N+](=O)[O-])cc1)/N=C/c1cccc(F)c1 1615948500 HVVQXMSKAZYTRT-RWPZCVJISA-N 490.413 5.743 50 10 JKGE Cc1c(C(=O)Nc2ccc(Cl)cc2Cl)oc2c1C(=NNC(=O)COc1ccccc1)CCC2 1772748980 FWYBBDDSXHBWSU-UHFFFAOYSA-N 486.355 5.383 50 10 JKGE N#CC1=C(N)Oc2c(c(C(F)(F)F)nn2Cc2cccc(Cl)c2)[C@H]1c1ccc(Cl)cc1Cl 1865684958 BJYWGBINOOMRPJ-INIZCTEOSA-N 499.707 6.129 50 10 JKGE COc1ccc(-c2nn(Cc3ccc(C)cc3)c3c2[C@@H](c2cc(Cl)ccc2O)C(C#N)=C(N)O3)cc1 1865688796 AZZZNBWRJUMXPG-DEOSSOPVSA-N 498.970 5.493 50 10 JKGE CCCc1nn(CCC)c2c1[C@@H](c1ccc(OCc3ccc(Cl)cc3Cl)cc1)C(C#N)=C(N)O2 1865701013 JRWKZRONTMUXLF-QHCPKHFHSA-N 497.426 6.350 50 10 JKGE COc1ccc(-n2nc(C)c3c2OC(N)=C(C#N)[C@@H]3c2ccc(OCc3ccccc3Cl)cc2)cc1 1865703913 IPXWZZLEDNVYFT-SANMLTNESA-N 498.970 5.640 50 10 JKGE Cc1ccc(Cn2nc(-c3ccccc3)c3c2OC(N)=C(C#N)[C@H]3c2ccc(Cl)c([N+](=O)[O-])c2)cc1 1865705780 FUNCMRLYSTUGIY-HSZRJFAPSA-N 497.942 5.687 50 10 JKGE COc1ccc(-c2nn(Cc3cccc(F)c3)c3c2[C@@H](c2cccc(F)c2)C(C#N)=C(N)O3)cc1 1865710743 GXUIXLBCXNARPG-QHCPKHFHSA-N 470.479 5.103 50 10 JKGE Cc1ccc(SCCCC(=O)NNC(=O)c2ccc(-c3ccc(Cl)cc3Cl)nc2C)cc1 1865759511 DOYYEFOCHFRPRQ-UHFFFAOYSA-N 488.440 6.006 50 10 JKGE COC(=O)c1c(NC(=O)/C(C#N)=C/c2ccc(OC)c(OC)c2)sc(C)c1-c1ccc(C)c(C)c1 1866130175 FNEWOSNEKOSDRT-UDWIEESQSA-N 490.581 5.690 50 10 JKGE CSCC[C@H](NC(=O)C[C@@H](c1ccc(F)c(C)c1)C(C)C)C(=O)Nc1ccc(SC#N)cc1 1866766251 LOHXMGBNIQLNEP-GGAORHGYSA-N 487.666 5.714 50 10 JKGE COCCc1nc(Nc2ccc(SC#N)cc2)cc(N2C[C@H](C)Cc3c(C)ccc(C)c32)n1 1868253030 AKVXQXMEVCPTQZ-QGZVFWFLSA-N 459.619 5.929 50 10 JKGE COc1cccc(-c2csc(/C(C#N)=C(\O)c3ccc4c(c3)C(=O)N(c3ccc(F)cc3)C4=O)n2)c1 1872744011 DHOIZASRQDNLHX-GYHWCHFESA-N 497.507 5.708 50 10 JKGE CCOc1ccc(-c2csc(/C(C#N)=C(\O)COc3ccccc3CC)n2)c(OCC)c1 1872755213 DDJONPFDGKNHSK-XDOYNYLZSA-N 450.560 6.042 50 10 JKGE CCOc1c(Br)cc(/C=C(\C#N)c2nc(-c3cc(C)ccc3OC)cs2)cc1OC 1872790959 NRJIILBSZVQEBY-CXUHLZMHSA-N 485.403 6.361 50 10 JKGE C[C@H](Oc1ccc(Cl)cc1)/C(O)=C(\C#N)c1nc(-c2ccc(-c3ccccc3)cc2)cs1 1873941148 YLOMJNWESYWHNK-KZIRDTCISA-N 458.970 7.391 50 10 JKGE CCCC1CCC([C@@H](Br)c2sc(Br)c(C)c2Br)CC1 1878039004 KFHTYRBPGHKRAA-GCZXYKMCSA-N 473.112 7.624 50 10 JKGE COCC(C)(C)N(Cc1ccccc1)S(=O)(=O)c1cc(CCl)cc(Br)c1C 1915483865 FGFXRDIZXVEAQP-UHFFFAOYSA-N 474.848 5.112 50 10 JKGE CC(C)C(C)(C)[C@H](Br)c1c(Br)sc(Br)c1Cl 1923067334 BCPNSRPOGBLFKQ-MRVPVSSYSA-N 453.465 7.045 50 10 JKGE COc1ccc([C@H](Br)c2c(Br)sc(Br)c2Cl)c(F)c1 1923068301 PKWKRYDYACAKLG-VIFPVBQESA-N 493.417 6.559 50 10 JKGE CC(C)CCN(CCBr)C(=O)c1scc(Br)c1Br 1924492503 OAAZUFJLTRTJLC-UHFFFAOYSA-N 462.045 5.156 50 10 JKGE Brc1sc(Br)c([C@H](Br)[C@@H]2CCOC2)c1Br 1924576184 KYUMPEHAPSGUCG-INEUFUBQSA-N 483.845 5.508 50 10 JKGE FC(F)C1CC(C[C@H](Br)c2cc(Br)c(Br)s2)C1 1926983492 KWVHDXVVWXNDDK-AHXFUIDQSA-N 452.984 6.391 50 10 JKGE Clc1cc([C@H](Br)c2sc(Br)cc2Br)sc1Cl 1939425860 FNQHEYPAFMFLBN-ZETCQYMHSA-N 485.875 7.126 50 10 JKGE CC(F)(F)C1([C@@H](Br)c2cc(Br)sc2Br)CCC1 2016004159 OYUNDFYYWNMDRD-QMMMGPOBSA-N 452.984 6.535 50 10 JKGE CCC1CC(C[C@@H](Br)c2c(Br)sc(Br)c2Cl)C1 2025344005 LWADIXIVEHLVAZ-KAVNDROISA-N 465.476 7.189 50 10 JKGE FC1(F)C[C@]12CC[C@@H]([C@@H](Br)c1cc(Br)sc1Br)C2 2038547448 ACISVHZQQFIMTI-KNBVPPQFSA-N 464.995 6.535 50 10 JKGE BrC[C@@H](Cc1ccccc1Br)Cc1cnsc1Br 2055665441 JWZNEHRJEAJMNH-VIFPVBQESA-N 454.025 5.464 50 10 JKGE Cc1c(Br)sc([C@@H](Br)C2(CC3CC3)CCC2)c1Br 2069472819 PSWANZFATCFSSI-GFCCVEGCSA-N 457.069 6.988 50 10 JKGE C[C@]1(C2CC2)CN(c2ccc(CBr)cc2Br)CCN1Cc1ccccc1 2094733622 VTZLPYHPLVDHGL-JOCHJYFZSA-N 478.272 5.835 50 10 JKGE Oc1nc2cc([C@H](Br)c3cscc3OCc3ccccc3)c(Br)cc2[nH]1 2100092718 PHXQYVUJWQTWPF-SFHVURJKSA-N 494.208 6.156 50 10 JKGE Clc1ccc(CC[C@H](Br)c2ccccc2Br)cc1Br 2113449355 JYORWJRHABOJPM-ZDUSSCGKSA-N 467.426 6.934 50 10 JKGE BrC[C@@H]1C[C@@H]2CCC[C@@H]2N1Cc1cc(Br)ccc1Br 2118527720 GHHOOPNUUCDQQK-XEGUGMAKSA-N 452.028 5.350 50 10 JKGE C[C@H]1Cc2cc([C@@H](Br)c3cc(Br)sn3)cc(Br)c2O1 2120032795 PHYDJTSVGPQAMG-PWCHPLFNSA-N 468.008 5.476 50 10 JKGE C[C@H]1C[C@@H](n2c(CCl)nc3cc(I)ccc32)CN(Cc2ccccc2)C1 2127807531 XFOANOZTQQQWSO-MAUKXSAKSA-N 479.793 5.463 50 10 JKGE Cc1cc(Br)c(C)c([C@H](Br)[C@@H]2C[C@H]3C[C@H]3CO2)c1Br 2136375076 RQXFMRBUFSPBOZ-GOMXZESMSA-N 453.012 5.689 50 10 JKGE BrCCC[C@@H]1CCCCN1Cc1cccc(Br)c1Br 2141714759 HQZQECXSMOPMOX-ZDUSSCGKSA-N 454.044 5.741 50 10 JKGE Clc1cc(C[C@H](CBr)C2CCCCCC2)ccc1I 2142958553 RHZGMAXMIKZGOS-CQSZACIVSA-N 455.605 6.469 50 10 JKGE Cc1cc(Br)c([C@H](Br)[C@]23CCCC[C@H]2OCC3)cc1Br 2149061148 DPDNPJRSLRGDKH-PMPSAXMXSA-N 467.039 6.305 50 10 JKGE O=C(Nc1cc(Br)c(Br)c(Br)c1)c1cccc(CCl)c1 2151791510 XMIZZNRKOLCTRF-UHFFFAOYSA-N 482.397 5.965 50 10 JKGE ClCc1nc2cc(Br)c(Cl)cc2n1C[C@H]1CCCN(Cc2ccccc2)C1 2159872410 UZEDDHQWFMLMPY-INIZCTEOSA-N 467.238 6.103 50 10 JKGE BrC[C@@]12CCCC[C@@H]1N(c1ncc(Br)cc1Br)CCC2 2165239442 CUGKELBGPXWQGO-ZFWWWQNUSA-N 467.043 5.531 50 10 JKGE CN(Cc1cccc(Br)c1)c1cc(Br)cc(F)c1CBr 2170698023 CAHQOIQYVWOJGC-UHFFFAOYSA-N 465.986 5.882 50 10 JKGE O=S(=O)(c1cc(Cl)cc(CBr)c1Cl)N(Cc1ccccc1)C[C@@H]1CCCO1 2179863080 GXQVMZBYUQNWBR-KRWDZBQOSA-N 493.250 5.258 50 10 JKGE COc1cc(Br)c(C(=O)N(Cc2ccccc2)[C@H](CCl)C(C)C)cc1OC 2189042686 HTXRPZANVRJYSW-GOSISDBHSA-N 454.792 5.372 50 10 JKGE CS(=O)(=O)c1ccc([C@H](Br)c2ccc(Br)cc2Br)cc1 2203683290 CWFIWLQTBKBDFD-AWEZNQCLSA-N 483.019 5.099 50 10 JKGE Cc1c(Br)sc([C@H](Cl)Cc2ccccc2I)c1C 2218783502 XLWPCRNNIQOCTL-LLVKDONJSA-N 455.586 6.255 50 10 JKGE Cc1sc(Br)c(C)c1[C@H](Br)c1ccc(F)cc1Br 2218801530 VRDUJEIKGSIFLX-GFCCVEGCSA-N 457.000 6.513 50 10 JKGE Cc1c(Br)sc([C@@H](Br)[C@H]2CCCC(C)(C)O2)c1Br 2219700306 JSYYYLYXWMVXEO-SCZZXKLOSA-N 461.057 6.365 50 10 JKGE Clc1cc(Br)ccc1C[C@@H](Br)c1cc(Br)c(Cl)s1 2221700403 RVPLDWSBELVPOD-MRVPVSSYSA-N 493.873 7.259 50 10 JKGE CCOCc1cc(Br)c([C@H](Cl)c2cccc(OCc3ccccc3)c2)s1 2224769572 BICARNPOXTTYMV-HXUWFJFHSA-N 451.813 6.954 50 10 JKGE Cc1cc(Br)c([C@H](Br)[C@@H]2CCCC(C)(C)O2)cc1Br 2226845860 ZULPDYQIIJPWER-KBPBESRZSA-N 455.028 6.304 50 10 JKGE Fc1ccc(C(CBr)(CBr)Cc2nscc2Br)cc1 2227092916 XATRIPBJDMXTIT-UHFFFAOYSA-N 472.015 5.315 50 10 JKGE CO[C@@H]1C[C@]2([C@@H](Br)c3c(Br)cc(C)c(Br)c3C)C[C@H]12 2227346341 CRGAWXXEOBMLHS-CJIMWGSBSA-N 453.012 5.689 50 10 JKGE Cc1cc(Br)c([C@H](Br)[C@H]2CCCC[C@@H]2C)c(C)c1Br 2227360849 XHVJBXBKOIWOOS-RVIYUIFMSA-N 453.056 7.091 50 10 JKGE Fc1cccc(Br)c1[C@@H](Cl)c1c(Br)cc(Cl)c(Cl)c1Cl 2232513521 RBPSGVZXQXZOTD-GFCCVEGCSA-N 481.801 7.639 50 10 JKGE Clc1cc(Br)c([C@H](Br)[C@H]2CC[C@H]3C[C@H]2CO3)c(Cl)c1Cl 2232518411 CAKBHQMVRFBAGA-GLTNYXDESA-N 463.424 6.660 50 10 JKGE C[C@H](Cl)c1nc2c(F)cc(Br)cc2n1C[C@H]1CCN(Cc2ccccc2)C1 2232915807 IFEZNWLZROEKFJ-HOCLYGCPSA-N 450.783 5.760 50 10 JKGE CC1(C)CCC[C@H]([C@@H](Br)c2c(Br)cc(Cl)c(Cl)c2Cl)O1 2235163093 XRTLEVGEBIJVDQ-MWLCHTKSSA-N 465.440 7.193 50 10 JKGE Brc1ccc([C@H](CI)O[C@@H]2CCN(Cc3ccccc3)C2)cc1 2244771396 LUBKHAVASAWRSJ-MOPGFXCFSA-N 486.191 5.216 50 10 JKGE COc1ccc([C@@H](Br)c2cc(Br)cs2)cc1I 2248882392 HWVNMMKVSQQDGT-GFCCVEGCSA-N 487.982 5.608 50 10 JKGE COc1ccc(Br)cc1[C@@H](Br)c1scc(Br)c1Cl 2253605544 WWACCRLJTCFAOR-SNVBAGLBSA-N 475.427 6.419 50 10 JKGE COc1ccc([C@H](Cl)Cc2ccc(Br)cc2)cc1I 2269550526 ZVQUQZHVOQVLQM-CYBMUJFWSA-N 451.529 5.585 50 10 JKGE Fc1cc(Br)ccc1[C@H](Br)c1cc2sc(Br)cc2s1 2278103102 UKCUYUJUFCKYFQ-ZDUSSCGKSA-N 485.035 7.111 50 10 JKGE CCc1nc([C@@H](Cl)c2ccc(OC)c(Cl)c2Br)c(Br)s1 2283559813 HJQHQGDDYHQOLV-JTQLQIEISA-N 460.018 6.221 50 10 JKGE O=C(Nc1ccc(CCBr)cc1)c1ccc(Cl)c(I)c1 2283657178 SOYZPIRKNSDURT-UHFFFAOYSA-N 464.528 5.134 50 10 JKGE Cc1ccc(-c2nnc(SCC(=O)NN=CC(Cl)=Cc3ccccc3)n2-c2ccccc2)cc1 2293532003 UKZPOMTVTLEILD-UHFFFAOYSA-N 488.016 5.717 50 10 JKGE Clc1ccc(Br)cc1CO[C@@H](CBr)c1cccc(Br)c1 2295175031 HPNIORJCPSLRJF-HNNXBMFYSA-N 483.425 6.518 50 10 JKGE COc1cc([C@H](Br)Cc2cc(Br)cc(Br)c2)ccc1F 2295337957 PXNHGZBEXYXNAY-CYBMUJFWSA-N 466.970 6.038 50 10 JKGE COc1cccc(Cn2cc(C=C(C#N)C(=O)Nc3ccccc3C(F)(F)F)c3ccccc32)c1 2295669882 FKHQOFIUBSRPJD-UHFFFAOYSA-N 475.470 6.263 50 10 JKGE COC(=O)c1cc(NC=C(C#N)c2nc(-c3ccc4ccccc4c3)cs2)cc(C(=O)OC)c1 2296038210 OXHXMBBJHBKSRU-UHFFFAOYSA-N 469.522 5.513 50 10 JKGE Cc1ccccc1C[C@@H]1SC(=C(C#N)C(=O)Nc2ccc(F)cc2)N(c2ccc(F)cc2)C1=O 2296144756 GUIRNMQZTWFQSW-QHCPKHFHSA-N 475.520 5.338 50 10 JKGE COc1ccc(C[C@H]2SC(=C(C#N)C(=O)Nc3ccc(C)cc3)N(c3ccccc3C)C2=O)cc1 2296506739 CFQJYWXORZVTIG-RUZDIDTESA-N 483.593 5.377 50 10 JKGE Cc1cc(-c2nn(-c3ccccc3)cc2C=C(C#N)C(=O)NCc2ccco2)ccc1OCCC(C)C 2296540337 VJUOVYATWRIWRI-UHFFFAOYSA-N 494.595 6.089 50 10 JKGE COc1cc(C=C(C#N)c2nc(-c3cccs3)c(NC(C)=O)s2)ccc1OCc1ccccc1 2296846405 JDBAAVZCYBVAQM-UHFFFAOYSA-N 487.606 6.482 50 10 JKGE CCOC(=O)c1c(NC=C(C#N)c2nc(-c3ccc(OC)cc3)cs2)sc(C(C)=O)c1C 2297510293 QMHLAXLBHGAONF-UHFFFAOYSA-N 467.572 5.545 50 10 JKGE COc1cc(C=C(C#N)c2nc3ccc(C)cc3[nH]2)ccc1Oc1cccc([N+](=O)[O-])c1C#N 2297638771 QJFNCGIAOURVII-UHFFFAOYSA-N 451.442 5.516 50 10 JKGE O=S1(=O)CCC[C@@H]1[C@H](Br)c1ccc(OCc2ccccc2)cc1Br 2299534341 CKSHYNXCPADMLB-QZTJIDSGSA-N 474.214 5.041 50 10 JKGE CC(C)(C)[C@@H]1C[C@@H]1[C@H](Br)c1ccc(OCc2ccccc2)cc1Br 2299535519 PRAIDXNQPRMVKM-NLWGTHIKSA-N 452.230 7.146 50 10 JKGE CC(C)[C@@H](C)[C@H](Br)c1c(Cl)cc(Br)c(F)c1Br 2300172400 QIQAXXCJNBUMEX-LDWIPMOCSA-N 451.399 6.732 50 10 JKGE Clc1cc(I)c([C@H](Cl)c2cc(Br)ccc2Cl)s1 2300955106 HMUQHMJZGPICMR-SNVBAGLBSA-N 482.395 6.750 50 10 JKGE CC(C)N(CCCBr)Cc1ccc(I)c(Br)c1 2306231537 KLCTZYBLDZIXLW-UHFFFAOYSA-N 475.006 5.049 50 10 JKGE COC(=O)c1cccc(Cn2cc(C=C(C#N)C(=O)Nc3ccc(Cl)cc3)c3ccccc32)c1 2313631886 XZWCEZOLTKOASJ-UHFFFAOYSA-N 469.928 5.675 50 10 JKGE FC1(F)CC2(C[C@@H]2[C@@H](Br)c2ccc(OCc3ccccc3)cc2Br)C1 2314443212 FTNNBSXQYDLGBH-AEFFLSMTSA-N 472.167 6.900 50 10 JKGE N#CC(=C(O)c1ccc(-c2cc(Cl)ccc2Cl)o1)c1nc(-c2ccc(F)cc2)cs1 2314457476 MCLQHFQJWCIBSP-UHFFFAOYSA-N 457.313 7.466 50 10 JKGE Brc1cc(OCc2ccccc2)ccc1[C@H](Br)C1CCC2(CC1)CC2 2314501707 AIKSEOFULYHDKB-OAQYLSRUSA-N 464.241 7.435 50 10 JKGE CC(C)(C)c1ccc(C=CC(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@@H]3c2ccc(F)cc2)cc1 2314634061 IOTMIVDFDCHKIA-HHHXNRCGSA-N 468.528 5.960 50 10 JKGE CCN[C@H](c1c(Cl)cc(Br)c(F)c1Br)[C@H]1C[C@H]1Br 2315458559 NZTSWTVJACPWRP-MQNJHXBQSA-N 464.398 5.438 50 10 JKGE Fc1c(Br)cc(Cl)c([C@H](Cl)c2cscc2Br)c1Br 2315464123 YBRBNGDPLFPBQC-SNVBAGLBSA-N 497.836 7.156 50 10 JKGE Fc1c(Br)cc(Cl)c([C@@H](Cl)c2cnsc2Br)c1Br 2315641179 HTVHPFJLISNEHL-QMMMGPOBSA-N 498.824 6.551 50 10 JKGE CC(C)(C)OC(=O)N1CCC[C@@H](C(=O)NN=Cc2cccc(OCc3ccccc3Cl)c2)C1 2321721463 LAYJOWYTSFBAOF-LJQANCHMSA-N 471.985 5.016 50 10 JKGE COc1ccc(CCNC(=O)C(C#N)=CNc2ccccc2Sc2ccccc2)cc1OC 2324714638 ZFHFBWKKWWMJCV-UHFFFAOYSA-N 459.571 5.033 50 10 JKGE CCOc1ccc(CCNC=C(C#N)C(=O)N[C@H](CC)c2ccc3c(c2)CCCC3)cc1OCC 2325092537 JVPNQNVILPTTSW-AREMUKBSSA-N 475.633 5.170 50 10 JKGE C[C@]1(C(F)F)C[C@@]1(CBr)Cc1ccc(I)c(Br)c1 2325222440 KZQJQUQYLXBERA-CHWSQXEVSA-N 493.955 5.653 50 10 JKGE CCOC(=O)c1c(-c2ccc([N+](=O)[O-])cc2)csc1NC(=O)C(C#N)=Cc1ccc(C)cc1 2329632715 DWBHTLVBBHAJAN-UHFFFAOYSA-N 461.499 5.354 50 10 JKGE CCn1c(C(C#N)=Cc2ccc(OCc3c(Cl)cccc3Cl)c(OC)c2)nc2ccccc21 2331071779 KGMQZBZVOVUQIT-UHFFFAOYSA-N 478.379 7.015 50 10 JKGE CCc1cccc(CC)c1N1C[C@@H](C(O)=C(C#N)c2nc(-c3cccc([N+](=O)[O-])c3)cs2)CC1=O 2331232645 LKIIDFXAFVTVEH-IBGZPJMESA-N 488.569 5.689 50 10 JKGE N#CC(=C(O)C(c1ccccc1)c1ccccc1)c1nc(-c2cccc(Br)c2)cs1 2331279390 SVPLGIBHTQSJRX-UHFFFAOYSA-N 473.395 7.197 50 10 JKGE CCCCc1ccc(N2C[C@@H](C(O)=C(C#N)c3nc(-c4ccc([N+](=O)[O-])cc4)cs3)CC2=O)cc1 2331281207 SWMGFEADOADADH-IBGZPJMESA-N 488.569 5.907 50 10 JKGE CCCCc1ccc(N2C[C@H](C(O)=C(C#N)c3nc(-c4ccc(OCC)cc4)cs3)CC2=O)cc1 2331305480 HTRQRZXJGCLXAQ-OAQYLSRUSA-N 487.625 6.397 50 10 JKGE COC(=O)c1ccccc1N1C[C@H](C(O)=C(C#N)c2nc(-c3cc(C)ccc3C)cs2)CC1=O 2331319597 OBCFCLRSYUXHKV-QGZVFWFLSA-N 473.554 5.059 50 10 JKGE Cc1ccc(C)c(-c2csc(C(C#N)=C(O)c3ccccc3I)n2)c1 2331320259 OVLWLWIQEVQZAH-UHFFFAOYSA-N 458.324 5.981 50 10 JKGE CCc1ccccc1OCC(O)=C(C#N)c1nc(-c2ccc(Oc3ccccc3)cc2)cs1 2331360372 YLPQRWKMDAISHR-UHFFFAOYSA-N 454.551 7.036 50 10 JKGE COc1ccc(-c2csc(C(C#N)=C(O)Cc3ccc(OCc4ccccc4)cc3)n2)c(OC)c1 2331385762 HOVYOPPVPKJEHQ-UHFFFAOYSA-N 484.577 6.442 50 10 JKGE Cc1cc(C)c(-c2csc(C(C#N)=C(O)[C@@H]3CC(=O)N([C@@H](C)c4ccccc4)C3)n2)c(C)c1 2331393873 CIVQHXGATFAPFS-PZJWPPBQSA-N 457.599 6.138 50 10 JKGE CCCOc1ccc(C=C(C#N)c2nc(-c3ccc(-c4ccccc4)cc3)cs2)cc1OCC 2331414257 QVXOMTGEGJHKEV-UHFFFAOYSA-N 466.606 7.729 50 10 JKGE CCN(Cc1ccccc1)c1ccc(C=C(C#N)c2nc(-c3ccc(C(C)C)cc3)cs2)cc1 2331457781 HDNHTGSGVMXZOU-UHFFFAOYSA-N 463.650 8.024 50 10 JKGE CCCCCOc1ccc(C=C(C#N)c2nc(-c3cc(Cl)cc(C)c3OC)cs2)cc1OC 2331474597 VHTZJQSRIOLPCQ-UHFFFAOYSA-N 483.033 7.422 50 10 JKGE Cc1csc([C@H](Br)c2c(F)cc(Cl)c(Br)c2Cl)c1Cl 2335368397 GCPHKBVBTPYADP-SECBINFHSA-N 467.412 7.403 50 10 JKGE COc1ccc([C@H](Br)c2sc(Cl)cc2I)c(OC)c1 2338631511 XQJNKYWJDLWODJ-LBPRGKRZSA-N 473.557 5.508 50 10 JKGE COc1c(Br)cc(C)c([C@@H](Br)C(F)(F)C(F)F)c1Br 2339652226 XKSNPAKWUSOJPA-SECBINFHSA-N 472.896 5.865 50 10 JKGE CCC(C)(C)C[C@H](Br)c1c(C)cc(Br)c(OC)c1Br 2339653271 HSMORNCBTLFQEI-NSHDSACASA-N 457.044 6.791 50 10 JKGE CC1(C)OCCC[C@]1(CCl)Cc1ccc(I)c(Br)c1 2349838817 DFGIRKKSDNMWSH-OAHLLOKOSA-N 457.577 5.410 50 10 JKGE ClC[C@@H](CC1CCCC1)NCc1ccc(I)c(Br)c1 2349840635 FIOPYEBJSAYEIO-CYBMUJFWSA-N 456.593 5.331 50 10 JKGE ClC[C@H]1CCCC[C@@H]1CNCc1ccc(I)c(Br)c1 2349845698 RINHFEFZVIPPSA-CHWSQXEVSA-N 456.593 5.189 50 10 JKGE Fc1cc(Cl)c(Br)c(Cl)c1[C@@H](Cl)c1ccc(Cl)c(Br)c1 2360494863 XJPSJWUCGMCBNB-LBPRGKRZSA-N 481.801 7.639 50 10 JKGE Cl[C@H](c1cc2c(s1)CCCCC2)c1cc(Br)ccc1OCc1ccccc1 2361205229 JUAPNBOYBUJEIZ-QHCPKHFHSA-N 461.852 7.687 50 10 JKGE O=C1c2ccccc2C(=O)N1C[C@H](Br)CCc1cc(C(F)(F)F)ccc1C(F)(F)F 2362126966 FJGNIGFZQWLURE-CYBMUJFWSA-N 494.229 5.717 50 10 JKGE Fc1c(Br)cc(Cl)c([C@H](Br)[C@@H]2C[C@H]3O[C@H]2[C@@H]2C[C@@H]32)c1Br 2362226861 XIRSGOMNPFKAMC-HWFMCPSMSA-N 489.404 5.864 50 10 JKGE COc1c(Br)cc(C)c([C@H](Br)C2(C)CC(C)(C)C2)c1Br 2365234772 KCPILCPCAPXEBL-AWEZNQCLSA-N 469.055 6.791 50 10 JKGE CC(C)(C)[C@@H]1CC[C@H]1[C@H](Br)c1c(F)cc(Br)c(F)c1Br 2369054916 ICBKPZHUKJGRBL-RWYTXXIDSA-N 475.009 6.998 50 10 JKGE Cl[C@H]1CCCCCCCC[C@@H]1Cc1ccc(I)c(Br)c1 2377255583 RACNXVLSHSSZIX-ZBFHGGJFSA-N 469.632 6.954 50 10 JKGE FC(F)(F)CC1CCC([C@@H](Cl)c2sc(Cl)cc2I)CC1 2381924328 MGXHZWJCICHPFA-OIAXGBPSSA-N 457.126 7.045 50 10 JKGE Cc1ccc(C[C@H]2S/C(=C(\C#N)C(=O)Nc3ccc(C)cc3)N(c3ccc(Cl)cc3)C2=O)cc1 1790584 SMWCKOIIQANTRS-GUNDDFSMSA-N 488.012 6.022 50 10 JKGE N#CC1=C(N)OC2=C(CCC/C2=C/c2cccc(Br)c2)[C@H]1c1cccc(Br)c1 3663042 GFXFWHBCSPOBRV-KGGGBHMPSA-N 498.218 6.541 50 10 JKGE CCSc1ccsc1[C@@H]1C(C#N)=C(N)N(c2cccnc2)C2=C1C(=O)C[C@@H](c1ccccc1)C2 9981738 LRVRQYLSLHVDOF-MHECFPHRSA-N 484.650 5.954 50 10 JKGE N#C/C(=C/c1ccc(C(F)(F)F)cc1)C(=O)c1cc(-c2ccccc2)c(C(F)(F)F)s1 12369038 XJDDNQRIADJNRW-GDNBJRDFSA-N 451.391 7.243 50 10 JKGE Cc1cccc(C(=O)Nc2ccc(C(=O)N/N=C/c3ccccc3OCc3ccccc3)cc2)c1 12577419 MKNQSTACVSDPRF-NDZAJKAJSA-N 463.537 5.590 50 10 JKGE COc1cc(C=NNC(=O)c2cc3ccccc3o2)cc(Cl)c1OCc1cccc2ccccc12 17167030 UAHARGUROYNPSE-UHFFFAOYSA-N 484.939 6.591 50 10 JKGE Cc1ccc(C)c(N/C(SCc2c(F)cccc2Cl)=C(/C#N)S(=O)(=O)c2ccccc2)c1 20325709 UEJPDMSMTHKMBP-WCWDXBQESA-N 487.021 6.608 50 10 JKGE O=C(COc1ccccc1-c1ccccc1)N/N=C/c1ccc(OCc2ccccc2Cl)cc1 33921960 SRDJMTLAAJPKPW-UXHLAJHPSA-N 470.956 6.115 50 10 JKGE CCCCOC(=O)c1ccc(NC(=O)/C(C#N)=C\c2ccc(OC(=O)c3ccc(C)cc3)cc2)cc1 35179556 UZKBAZKCECYOFE-MOHJPFBDSA-N 482.536 5.717 50 10 JKGE CCOc1cc(/C=C2/C(=O)N(CCc3ccccc3)C(=O)C(C#N)=C2C)ccc1OCCC(C)C 38607551 VTJZOSGDEKMQPL-JJIBRWJFSA-N 472.585 5.345 50 10 JKGE CCOc1ccccc1[C@@H]1C(C#N)=C(N)Oc2cc(OC(=O)c3oc4cc(C)c(C)cc4c3C)ccc21 38687445 YSAHTBXZDKKEQU-MHZLTWQESA-N 494.547 6.194 50 10 JKGE COc1ccc(/C=C/C(=O)Oc2ccc(/C=C(\C#N)c3nc(-c4cccs4)cs3)cc2)cc1 39868068 FHOSZTWVDVIZRW-QOSRDPBLSA-N 470.575 6.563 50 10 JKGE CCc1ccc(Oc2nc3c(C)cccn3c(=O)c2/C=C(\C#N)C(=O)Nc2ccccc2C)cc1 39992923 VDWJJXUGPDRPHC-LTGZKZEYSA-N 464.525 5.212 50 10 JKGE Cc1c(C(=O)N2c3ccc(F)cc3CC[C@H]2C)oc2c1/C(=N/NC(=O)c1ccccc1)CCC2 40804050 SVJBTDWHOOZXOT-DZFJRQEYSA-N 459.521 5.179 50 10 JKGE Cc1ccccc1C(=O)N/N=C1\CCCc2oc(C(=O)Nc3nc4ccccc4s3)c(C)c21 40811517 CYBPAXGHIHKZDK-MTDXEUNCSA-N 458.543 5.229 50 10 JKGE Cc1ccccc1C(=O)N/N=C/c1ccc(Sc2nc3ccccc3c(=O)n2-c2ccccc2)o1 59386362 JKZPYSFYQNKEDT-OGLMXYFKSA-N 480.549 5.202 50 10 JKGE O=C(N/N=C(/CSc1nc2ccccc2[nH]1)c1cccc(Br)c1)c1cccc(Cl)c1 59460698 XHNDGYVMCCLUOV-OOAXWGSJSA-N 499.821 5.905 50 10 JKGE COC(=O)c1ccc(C(=O)OC)c(N/C=C(/C#N)c2nc(-c3ccc(Cl)cc3)cs2)c1 102421213 TWLCYNQUYGHVLA-PTNGSMBKSA-N 453.907 5.013 50 10 JKGE Cc1ccc(Cl)cc1N/C=C(/C#N)c1nc(-c2cc3cc(Br)ccc3oc2=O)cs1 102937431 WOGNYTPJEFNTHF-UVTDQMKNSA-N 498.789 6.617 50 10 JKGE Cc1ccc(P(=O)(/C(=C/Sc2ccc(Cl)cc2)C(C)(C)C)c2ccc(C)cc2)cc1 104737420 FQSDPPBQXRAIGV-XIEYBQDHSA-N 455.003 7.951 50 10 JKGE COc1cc(Cl)ccc1[C@@H](Br)c1cc(Br)ccc1Br 109844491 MTRJENBRTPKDJO-CQSZACIVSA-N 469.398 6.358 50 10 JKGE Fc1cc(F)cc(CC(CBr)(CBr)c2cccc(Br)c2)c1 128187775 VAIDFBTYFOQHHM-UHFFFAOYSA-N 482.988 5.998 50 10 JKGE Cc1cc(Br)c([C@H](Br)C2(CC(C)C)CCCC2)cc1Br 128784381 GQBOHLJZBAJGNR-INIZCTEOSA-N 467.083 7.563 50 10 JKGE COc1ccc([C@@H](Br)c2cc(Br)c(C)cc2Br)cc1OC 128810030 WQGAGQLGGYGYQU-MRXNPFEDSA-N 479.006 6.022 50 10 JKGE COc1cc(/C=N\NC(=O)c2ccc(C)cc2)ccc1OCc1ccc(Br)cc1 169885730 AQXPOYCJSSTQRR-QFEZKATASA-N 453.336 5.109 50 10 JKGE CCCCNC(=O)/C(C#N)=C\c1ccc(OC(=O)/C=C/c2ccccc2OCCCC)c(OC)c1 207150466 VTBNUJBWGYTEPR-IIUJZJEXSA-N 476.573 5.316 50 10 JKGE CCCCOc1ccc(-c2nn(-c3ccccc3)cc2/C=C2\C(=O)N(CC)C(=O)C(C#N)=C2C)cc1 214209741 JPZIBFZRNZXTEF-UQQQWYQISA-N 480.568 5.330 50 10 JKGE Cc1cccc(C)c1CC(CBr)(CBr)c1ccccc1Br 215505493 GDKDCDGZNVEYPR-UHFFFAOYSA-N 475.062 6.336 50 10 JKGE Fc1cc(Br)cc(F)c1[C@H](Br)c1cc(Br)cc2c1OCC2 228442336 BRPIEJHTTSAWRX-CQSZACIVSA-N 482.944 5.909 50 10 JKGE Fc1ccc(Br)c(F)c1COc1c(Br)cccc1CBr 230316558 QBRLWWKGHUBESR-UHFFFAOYSA-N 470.933 5.964 50 10 JKGE COc1ccc([C@H](Br)c2ccc(Br)cc2Br)cc1F 234996106 WCEIRDCGZVKWHI-AWEZNQCLSA-N 452.943 5.844 50 10 JKGE C[C@H]1Cc2cc([C@H](Br)c3cc(Cl)ccc3I)ccc2O1 235771261 AMQIXSFHPIITCZ-FVMDXXJSSA-N 463.540 5.752 50 10 JKGE CCOc1cc(C=NNC(=O)c2ccccc2-n2cccc2)ccc1OCc1ccc(F)cc1 252615090 JORKDCKOQYRUEP-UHFFFAOYSA-N 457.505 5.358 50 10 JKGE O=C(N/N=C(\Cc1ccccc1)c1ccc(-c2ccccc2)cc1)c1cccc(N2CCCC2=O)c1 253570504 NRIMQBMJSGXQIN-UUDCSCGESA-N 473.576 5.857 50 10 JKGE CC(=NNC(=O)c1ccccc1NS(=O)(=O)c1cccs1)c1ccc(-c2ccccc2)cc1 254450632 YTQXPPGNHMRRRG-UHFFFAOYSA-N 475.595 5.370 50 10 JKGE Cc1cc([C@@H](Br)c2sccc2I)sc1Br 307166416 PAOJLLCTCUHAFZ-MRVPVSSYSA-N 478.012 5.969 50 10 JKGE BrCc1cccc(OCCOc2ccc(Br)cc2)c1Br 315498928 CEKFRYIVPRNHHB-UHFFFAOYSA-N 464.979 5.564 50 10 JKGE C[C@@H](CCn1c([C@@H](C)Cl)nc2cc(I)c(F)cc21)N(C)Cc1ccccc1 379614094 YBOWCFKRYPHMCY-LSDHHAIUSA-N 499.799 5.990 50 10 JKGE Fc1cc([C@H](Br)c2cc(Br)cc(Br)c2)c(F)c(F)c1F 395603492 DJTMPZPLSOKGHP-SNVBAGLBSA-N 476.887 6.252 50 10 JKGE Cc1cc(Br)c([C@@H](Br)c2cccc(F)c2C)cc1Br 398894200 DEJNUZIZQXHBGU-HNNXBMFYSA-N 450.971 6.452 50 10 JKGE Cc1cc(F)c([C@@H](Br)c2scc(Br)c2Br)cc1Cl 705475909 NCUDNXHBISVADT-SNVBAGLBSA-N 477.418 6.858 50 10 JKGE CCOc1ccc([C@@H](O)CCC(=O)NN=Cc2cc(C)n(-c3ccc(Cl)c(Cl)c3)c2C)cc1 1084226192 ZRPFXHGZIARNLP-DEOSSOPVSA-N 488.415 5.764 50 10 JKGE CCOc1ccc(C=NNC(=O)c2ccc(CSc3ccc(Cl)cc3)cc2)cc1OCC 1084243196 UVJKKQOENXNCGA-UHFFFAOYSA-N 469.006 6.194 50 10 JKGE COc1cc(/C=C(/C#N)C(=O)Nc2cccc(Cl)c2)ccc1OCc1c(Cl)cccc1Cl 1084623270 HKADPQRNUNTLMF-YBEGLDIGSA-N 487.770 6.780 50 10 JKGE CC(C)(C)OC(=O)N1CC[C@H](c2ccc(F)c(C(=O)O)c2)[C@@H](CO[Si](C)(C)C(C)(C)C)C1 1615773599 AQONPKQJLXOCGJ-QZTJIDSGSA-N 467.654 5.886 50 10 JKGE Cc1ccc(C(C)C)c(OC(=O)c2oc3c(c2C)C(=NNC(=O)c2cccc([N+](=O)[O-])c2)CCC3)c1 1772745829 JHOIMRWTHYRSQB-UHFFFAOYSA-N 489.528 5.618 50 10 JKGE Cc1nn(Cc2ccc(Cl)c(Cl)c2)c2c1[C@H](c1c(F)cccc1Cl)C(C#N)=C(N)O2 1865682372 NAPLPGXEOXOPJN-GOSISDBHSA-N 463.727 5.557 50 10 JKGE CCOc1ccc([C@H]2C(C#N)=C(N)Oc3c2c(CC)nn3Cc2c(F)cccc2Cl)cc1OCC 1865689319 PJEUAWFBGRNIMW-QHCPKHFHSA-N 496.970 5.302 50 10 JKGE CCCCOc1ccc([C@@H]2C(C#N)=C(N)Oc3c2c(CC)nn3Cc2cccc(F)c2)cc1OC 1865696289 DECYKYIRZGUSNO-XMMPIXPASA-N 476.552 5.039 50 10 JKGE CCc1nn(Cc2ccccc2)c2c1[C@@H](c1ccc(N(CC)Cc3ccccc3)cc1)C(C#N)=C(N)O2 1865706613 ALDZJYZSLBMZHV-NDEPHWFRSA-N 489.623 5.738 50 10 JKGE CCCc1nn(-c2ccccn2)c2c1[C@H](c1ccc(N(CC)Cc3ccccc3)cc1)C(C#N)=C(N)O2 1865706648 BSPDNJFANIVQOU-HHHXNRCGSA-N 490.611 5.464 50 10 JKGE COc1ccc(-c2nn(-c3cccc(Cl)c3)c3c2[C@H](c2ccc([N+](=O)[O-])cc2)C(C#N)=C(N)O3)cc1 1865713002 NZIVMARJPLFRLH-JOCHJYFZSA-N 499.914 5.328 50 10 JKGE Cc1nn(-c2ccc(Cl)c(Cl)c2)c2c1[C@@H](c1ccc(Br)cc1)C(C#N)=C(N)O2 1865715187 YTAUQPNLONLRNW-SFHVURJKSA-N 476.161 5.468 50 10 JKGE CC[C@](C)(NC(=O)C[C@@H](c1ccc(F)cc1)c1cccc(F)c1)C(=O)Nc1ccc(SC#N)cc1 1866784085 YMYYPVUGOMHLKA-IGKIAQTJSA-N 493.579 5.984 50 10 JKGE CCc1nc(Nc2ccc(SC#N)cc2)cc(N2CCN(CCc3c[nH]c4ccccc34)CC2)n1 1868277921 MFFBRMWUCOJIKZ-UHFFFAOYSA-N 483.645 5.202 50 10 JKGE N#C/C(=C(/O)C(c1ccccc1)c1ccccc1)c1nc(-c2ccc(-c3ccccc3)cc2)cs1 1872743650 FQZMOJDNIDWXEK-IKPAITLHSA-N 470.597 8.102 50 10 JKGE N#C/C(=C(/O)c1ccc(Cl)c(Cl)c1)c1nc(-c2ccc(Br)cc2)cs1 1872746417 GZBVYAVZXHXXQT-LGMDPLHJSA-N 452.160 6.829 50 10 JKGE CC(C)c1csc(/C(C#N)=C(\O)CCCOc2ccc(C(C)(C)C)cc2Br)n1 1872750199 BAJHNJJXYJVRSG-MNDPQUGUSA-N 463.441 6.978 50 10 JKGE CCc1cccc(CC)c1N1C[C@H](/C(O)=C(\C#N)c2nc(-c3ccc(OC)c(F)c3)cs2)CC1=O 1872752919 YXIOSWJKAIKNFK-LMRHOSECSA-N 491.588 5.928 50 10 JKGE CCOC(=O)Oc1ccc(/C(O)=C(\C#N)c2nc(-c3cc(C)cc(C)c3OC)cs2)cc1 1872754924 PTRBYPCPXHLMNJ-VZCXRCSSSA-N 450.516 5.921 50 10 JKGE COc1cc(C)c(-c2csc(/C(C#N)=C(O)/C=C/c3cc(OC)c(OC)c(OC)c3)n2)cc1C 1872758247 RJPHRHKFAKDSGZ-BQTOGIIBSA-N 478.570 5.967 50 10 JKGE COc1cc(/C=C(\C#N)c2nc(-c3ccccc3Cl)cs2)cc(Br)c1OC(C)C 1872780800 MBRSMOCRFQOYBH-OVCLIPMQSA-N 489.822 7.086 50 10 JKGE COc1cccc(/C=C(\C#N)c2nc(-c3ccc(F)c(C)c3)cs2)c1OCc1cccc(C)c1 1872791140 YBFVYQGFMREEDM-OEAKJJBVSA-N 470.569 7.218 50 10 JKGE COc1ccc(-c2csc(/C(C#N)=C/c3c(OC)ccc4ccccc34)n2)c(OC)c1OC 1872795198 SFRXGKUHZPEVBY-GHRIWEEISA-N 458.539 6.062 50 10 JKGE Cc1ccc(COc2ccccc2/C=N/NC(=O)CCCCCNC(=O)OC(C)(C)C)cc1 1873795237 DDSVFYAVJHALNP-MTDXEUNCSA-N 453.583 5.109 50 10 JKGE CC(C)(C)c1ccc(OCCC/C(O)=C(\C#N)c2nc(-c3ccc(-c4ccccc4)cc3)cs2)cc1 1873940940 OIVZHPPMHGXHTK-OHYPFYFLSA-N 494.660 8.426 50 10 JKGE O=C(c1c(Br)sc(Br)c1Br)[C@H]1C[C@@H]1Br 1893046501 LRNBKOGXKUJXSY-HRFVKAFMSA-N 467.802 5.002 50 10 JKGE Cn1nc(Br)c(Br)c1[C@H](Br)c1sccc1Br 1901041197 DBCIDOVTAUDQRB-YFKPBYRVSA-N 493.844 5.253 50 10 JKGE CCC(CC)([C@@H](Br)c1sc(Br)cc1Br)C(F)(F)F 1922883439 COINLABHVMQFOR-VIFPVBQESA-N 472.990 7.078 50 10 JKGE Cc1ccc(Br)cc1[C@H](Cl)c1sc(Br)cc1Br 1922944523 ZKNCUYCQRSTZJW-NSHDSACASA-N 459.428 6.672 50 10 JKGE Clc1ccc([C@@H](Cl)c2c(Br)sc(Br)c2Cl)c(Cl)c1 1923037987 HGDKMTHENKVSHO-MRVPVSSYSA-N 469.840 7.562 50 10 JKGE C[C@H](c1ccncc1Br)[C@@H](Br)c1ccc(Cl)c(Br)c1 1924042271 ZIXHEDNLMAEVOQ-XLKFXECMSA-N 468.414 6.500 50 10 JKGE CCC[C@@H](Br)c1c(Br)sc(Br)c1Br 1924576000 INYXVSCULOKERA-SCSAIBSYSA-N 455.835 6.272 50 10 JKGE FC(F)COCC[C@@H](Cl)c1c(Br)sc(Br)c1Br 1924583801 PAJXBRSECCEUDE-SCSAIBSYSA-N 477.390 5.987 50 10 JKGE Fc1cc(Br)c([C@H](Br)c2csnc2Br)c(F)c1F 1925265868 YROANIZIEIVEDD-SSDOTTSWSA-N 465.914 5.570 50 10 JKGE Cc1cc([C@H](Br)c2c(Br)sc(C)c2C)sc1Br 1951013893 BEYRXUJHZAAOFB-JTQLQIEISA-N 459.066 6.744 50 10 JKGE C[C@H](CBr)CN(CCCNC(=O)OC(C)(C)C)c1cccc(Br)c1 1999510487 VWLFZCBXAHJXTL-CQSZACIVSA-N 464.242 5.201 50 10 JKGE Clc1c(Br)sc(Br)c1[C@H](Br)C1CC2(COC2)C1 2007605611 PXXJVKKBSCKPFQ-SSDOTTSWSA-N 465.432 5.789 50 10 JKGE COCC1([C@@H](Br)c2cc(Br)c(Br)s2)CCCCC1 2033179042 HRDOFUQFHPAQFT-NSHDSACASA-N 461.057 6.306 50 10 JKGE CN(C[C@@H]1CCN(Cc2ccccc2)C1)c1c(CBr)ccc(Br)c1Cl 2036840779 UUMLYPSQHUVDLO-INIZCTEOSA-N 486.679 5.956 50 10 JKGE COc1ccc(Br)cc1[C@H](Br)c1sc(Cl)cc1Br 2036938300 FQUUQILWXSPSCL-NSHDSACASA-N 475.427 6.419 50 10 JKGE Clc1c(Br)sc(Br)c1[C@@H](Br)C[C@H]1CCC12CCC2 2047937816 ANNCLZSBZYWYLF-SFYZADRCSA-N 477.487 7.333 50 10 JKGE Cc1sc([C@H](Br)c2cc(Cl)c(C)c(Br)c2)cc1Br 2048504051 RXQCJJMLSZNSMU-CYBMUJFWSA-N 473.455 7.028 50 10 JKGE CCc1nc([C@@H](Cl)c2c(Cl)sc(Br)c2Cl)c(Br)s1 2050332225 XAWBQAGLGZSLHY-YFKPBYRVSA-N 470.466 6.927 50 10 JKGE Fc1cc(Br)cc(N2C[C@@H]3CN(Cc4ccccc4)C[C@H]3C2)c1CBr 2051133061 KZILPRVHUOOGJK-HOTGVXAUSA-N 468.208 5.051 50 10 JKGE C[C@H](c1cccs1)N(Cc1ccccc1)S(=O)(=O)c1ccc(CBr)s1 2059283674 ADYMAYSHHDZROH-CQSZACIVSA-N 456.452 5.657 50 10 JKGE Cc1c(Br)sc([C@@H](Br)[C@H]2C[C@@H]3CC[C@H](C2)O3)c1Br 2061007305 CWLDJYNNHYCAHQ-CKEKPRIKSA-N 459.041 5.975 50 10 JKGE C[C@@H](NCCSSCCNC(=O)OC(C)(C)C)c1ccc(F)c(Br)c1 2061264927 VJVWFLOFQKOTMA-GFCCVEGCSA-N 453.443 5.145 50 10 JKGE Cc1nc(C[C@@H](Cl)c2cc(Br)ccc2I)sc1C 2085798034 LZPQTDRTKSIAMG-LLVKDONJSA-N 456.574 5.650 50 10 JKGE COc1ccc([C@H](Br)Cc2ccccc2I)cc1Br 2087570670 UPWZODSYPGDSJH-GFCCVEGCSA-N 495.980 5.741 50 10 JKGE CCc1cc(Br)c([C@H](Br)c2c(F)cc(Br)cc2F)s1 2089708490 AGEFAFDFJMORFM-GFCCVEGCSA-N 474.990 6.598 50 10 JKGE CC(C)CO[C@H]1[C@@H](Oc2ccc(Br)cc2Br)C[C@H]1Br 2109256743 FHHGQEKRZTWLKX-KWCYVHTRSA-N 457.000 5.167 50 10 JKGE C[C@@H]1C[C@H](n2c(CCl)nc3cc(Cl)c(Br)cc32)CN1Cc1ccccc1 2112690744 JCFDFEMNYJPNGZ-HIFRSBDPSA-N 453.211 6.027 50 10 JKGE Fc1cc(Br)ccc1Oc1cc(Br)cc(F)c1CBr 2114264125 JLCNLCGZBQQHFI-UHFFFAOYSA-N 456.906 6.177 50 10 JKGE CCO[C@@H]1CC[C@H]([C@H](Br)c2cc(Br)c(C)cc2Br)C1 2118272961 VCTNRRIYTVYRFV-RWSFTLGLSA-N 455.028 6.161 50 10 JKGE CN(C(=O)c1csc(Br)c1Br)[C@@H](CCBr)C(F)(F)F 2122003422 UWORBHQEYCQMRI-LURJTMIESA-N 487.961 5.061 50 10 JKGE Cc1cc(Br)c(C)c([C@@H](Br)[C@H]2CCCC23CC3)c1Br 2136367407 QMGOHUWQAFPRTJ-ABAIWWIYSA-N 451.040 6.845 50 10 JKGE Cc1cc(Br)c(C)c([C@H](Br)c2cccc(F)c2)c1Br 2136378304 CPMDFFZJERWDBY-OAHLLOKOSA-N 450.971 6.452 50 10 JKGE CC[C@@H]1OCC[C@@H]1[C@H](Br)c1c(C)c(Br)cc(C)c1Br 2136380940 XLQWKQXZHRJNSQ-WBIUFABUSA-N 455.028 6.080 50 10 JKGE Cc1c(Br)ccc([C@H](Br)C[C@@H]2C[C@@H]2C(F)(F)F)c1Br 2138851688 LIQIGTVFYAHXIN-OVYXKVPISA-N 464.945 6.545 50 10 JKGE Cc1cc([C@@H](Br)Cc2c(F)cccc2Cl)ccc1I 2142105679 IKDCTYMDYJEGTL-LBPRGKRZSA-N 453.520 6.071 50 10 JKGE CC1(C)CCCN(Cc2ccc(I)c(Cl)c2)[C@H]1CBr 2142943853 PDALGVOQFHOTNO-AWEZNQCLSA-N 456.593 5.330 50 10 JKGE Cc1sc(Br)c([C@H](Br)c2c(Br)cc(F)c(F)c2F)c1C 2157254077 CBAVSBXFQBEUNG-JTQLQIEISA-N 492.980 6.792 50 10 JKGE C[C@@H](CCn1c([C@@H](C)Cl)nc2cc(Cl)c(Br)cc21)N(C)Cc1ccccc1 2169011026 ODERKUXHYQRHOS-LSDHHAIUSA-N 469.254 6.663 50 10 JKGE O=S(=O)(c1cc(Cl)cc(CBr)c1Cl)N1CCC[C@H](OCc2ccccc2)C1 2186388368 DLCVDFXDDDJMNL-KRWDZBQOSA-N 493.250 5.258 50 10 JKGE CC(F)(F)C1([C@@H](Br)c2cc(I)cc3c2OCC3)CCC1 2190223999 VXGBFJJPJYLNLQ-ZDUSSCGKSA-N 457.096 5.488 50 10 JKGE Clc1c(Br)sc(Br)c1[C@H](Cl)[C@@H]1C[C@@H]1C1CCCCCC1 2199991670 VLGYMSUBGZNIQJ-CKYFFXLPSA-N 461.090 7.813 50 10 JKGE COc1ccccc1[C@H](Br)c1c(C)c(Br)cc(C)c1Br 2201076936 ZXHQBXDUBLCACL-INIZCTEOSA-N 463.007 6.321 50 10 JKGE Cc1cc(Br)c([C@H](Br)c2cc(Cl)c(Br)s2)s1 2211912838 QHRVDCYANSMUKH-MRVPVSSYSA-N 465.457 6.781 50 10 JKGE Clc1cc(Br)ccc1C[C@H](Br)c1cscc1Br 2215854310 PRMAKFXYTZLESU-JTQLQIEISA-N 459.428 6.605 50 10 JKGE Cn1cc([C@H](Cl)c2cc(Br)c(Br)cc2F)c(Br)n1 2218597270 LBRGUTBHHLSWLQ-SNVBAGLBSA-N 461.354 5.175 50 10 JKGE Fc1cc(Br)c(Br)cc1[C@H](Br)C1CC(C(F)F)C1 2224150151 ZBBHXOSMUBZZLM-TUXAIXRJSA-N 450.918 6.078 50 10 JKGE COc1cc([C@@H](Br)c2sc(Br)c(C)c2C)ccc1Br 2225845441 BMAYPASLSNXXOW-GFCCVEGCSA-N 469.036 6.383 50 10 JKGE Cc1cc(Br)c([C@@H](Br)[C@H](C)CC(C)(C)C)c(C)c1Br 2227360184 PQANPRVPJJEPIW-BMIGLBTASA-N 455.072 7.337 50 10 JKGE Fc1ccc(Br)c([C@@H](Br)Cc2ccc(Br)cc2Cl)c1 2229148582 DQQOWMHSXRYOFA-ZDUSSCGKSA-N 471.389 6.683 50 10 JKGE Fc1cc(Br)c(Br)cc1[C@H](Br)c1csc2ccccc12 2233973987 CKIWAQCFWUKVIK-HNNXBMFYSA-N 479.006 7.050 50 10 JKGE Fc1cc(Br)c(Br)cc1[C@H](Br)[C@H]1CC2(CCCC2)CO1 2233981253 FZARRBXDJDMUKT-KGLIPLIRSA-N 471.002 6.136 50 10 JKGE Cc1cc([C@H](Br)c2cc(C3CC3)c(Br)s2)cc(C)c1Br 2235680851 CIVQITMMNDNFFX-HNNXBMFYSA-N 479.075 7.252 50 10 JKGE COc1cc(Br)c([C@H](Br)c2cc(F)ccc2Br)cc1C 2236006300 CLCZJRSEQUZWPR-HNNXBMFYSA-N 466.970 6.152 50 10 JKGE CCCCCCCCCO[C@@H](CI)c1ccccc1Br 2239456363 KKAYYZKHEQBTSG-KRWDZBQOSA-N 453.202 6.692 50 10 JKGE Cc1sc([C@@H](Br)c2scc(Br)c2C)c(Br)c1C 2246424107 MPUNNXVVXNTOMS-JTQLQIEISA-N 459.066 6.744 50 10 JKGE CCc1cc([C@@H](Cl)c2ccc(I)c(C)c2)sc1Br 2255977327 DZTNIHCCGPFUSJ-ZDUSSCGKSA-N 455.586 6.314 50 10 JKGE CC(C)(C)OC(=O)N1CCC(CI)(OCC[C@@H]2CCCCC23CC3)CC1 2264865511 QUOURWXDHRWLAJ-KRWDZBQOSA-N 477.427 5.568 50 10 JKGE COc1c([C@H](Cl)c2sccc2I)cc(Br)c(C)c1C 2269102513 UZBYPNBBLFPJFS-LBPRGKRZSA-N 471.585 6.069 50 10 JKGE COc1ccc([C@@H](Cl)c2c(Br)sc(C)c2C)cc1I 2269532513 AFHBQFCFRUHCJO-CYBMUJFWSA-N 471.585 6.069 50 10 JKGE CC12COC([C@H](Br)c3c(F)cc(Br)c(F)c3Br)(C1)C2 2272721305 GMVHYGSHAUPTOY-PNESKVBLSA-N 460.938 5.495 50 10 JKGE Fc1cc(Br)c(F)c(Br)c1[C@@H](Br)[C@@H]1CCCOCC1 2272727186 DQRXDPDONVTUIU-HQJQHLMTSA-N 462.954 5.743 50 10 JKGE Cc1cc(C(F)(F)F)sc1[C@@H](Br)c1cc(Br)sc1Br 2277716157 PYRIQOLAAIKCNU-QMMMGPOBSA-N 499.009 7.146 50 10 JKGE Clc1cccc([C@@H](Cl)c2cc3sc(Br)cc3s2)c1Br 2278013433 WEQROYLYKIFFQD-CYBMUJFWSA-N 457.039 7.469 50 10 JKGE CC(C)(C)OC(=O)N[C@H]1CCN(Cc2ccc(CBr)cc2)[C@H](C(F)(F)F)C1 2281005007 RZDHNBVJSHXBSB-HOTGVXAUSA-N 451.327 5.002 50 10 JKGE Cc1cc(Cl)c([C@H](Br)c2cc(F)c(Br)cc2Cl)cc1Cl 2282906805 HANPICAWXCRZNT-AWEZNQCLSA-N 461.383 7.341 50 10 JKGE Cc1ccc(C(=O)Oc2ccc(C=C(C#N)C(=O)Nc3ccc(Cl)c(Cl)c3)cc2)cc1 2293038411 AOXTWKCPNYMTRC-UHFFFAOYSA-N 451.309 6.067 50 10 JKGE Cc1cc(Cl)c([C@H](Br)Cc2cc(Br)cc(Br)c2)cc1C 2295275293 SYRMPAUWICRLGV-OAHLLOKOSA-N 481.453 7.161 50 10 JKGE N#CC(=Cc1cn(-c2ccccc2)nc1-c1ccc(Cl)cc1)C(=O)Nc1cccc(C(F)(F)F)c1 2295326924 IJYRWKQLHPBDIL-UHFFFAOYSA-N 492.888 6.757 50 10 JKGE C[C@]1([C@H](Br)Cc2cc(Br)cc(Br)c2)CCCC(F)(F)C1 2295330031 PYHRMEOKOQBJDD-KGLIPLIRSA-N 475.009 6.733 50 10 JKGE CCOc1ccc(-c2nn(-c3ccccc3)cc2C=C(C#N)c2nc3ccccc3n2C)cc1Cl 2296545369 LIHUGAGRSLFNTP-UHFFFAOYSA-N 479.971 6.542 50 10 JKGE Cc1ccc(Sc2ccc(C=C(C#N)c3nc(-c4ccc(Cl)cc4)cs3)s2)cc1 2296878219 HMOPAFUVMLRUQX-UHFFFAOYSA-N 451.041 8.049 50 10 JKGE Cc1ccc(NC(=O)C(C#N)=Cc2ccc(OCc3ccccc3F)c(Br)c2)c(C)c1 2297332882 MZEMCCCCSDFROM-UHFFFAOYSA-N 479.349 6.330 50 10 JKGE CC(C)(C)[C@@H]1CC(=Cc2ccccc2Cl)C2=C(C1)[C@H](c1ccccc1Cl)C(C#N)=C(N)O2 2297504864 DCDCHBSBVCLMAN-KOSHJBKYSA-N 465.424 7.595 50 10 JKGE CC[C@@H](Br)CN(Cc1ccccc1)C(=O)c1cc(F)c(Br)cc1O 2301385236 RRTXOHXQUCAMFU-CYBMUJFWSA-N 459.153 5.110 50 10 JKGE N#CC(=Cc1ccc(Sc2ccc(Cl)cc2)o1)C(=O)Nc1ccc(Br)cc1 2313541798 ZTGXMTMYHLPGAK-UHFFFAOYSA-N 459.752 6.392 50 10 JKGE COc1cc(C=C(C#N)C(=O)Nc2ccc(Cl)c(Cl)c2)ccc1OCc1cccc(C(=O)O)c1 2313565044 OAGQYXXICABKPX-UHFFFAOYSA-N 497.334 5.825 50 10 JKGE Fc1cc(Cl)c(Br)c(Cl)c1[C@@H](Br)c1ccc(Br)o1 2313819302 OPWFKGPCJLDQJV-JTQLQIEISA-N 481.768 6.735 50 10 JKGE Brc1ccc(OCc2ccccc2)c([C@@H](Br)CC[C@H]2CCCCO2)c1 2314449215 OCWBDUMPOPKRLW-QUCCMNQESA-N 468.229 6.813 50 10 JKGE Cc1cccc(NC(=O)C(C#N)=C2S[C@@H](Cc3ccccc3F)C(=O)N2c2ccc(C)c(C)c2)c1 2314591818 FNFPJPBORCKVPW-VWLOTQADSA-N 485.584 5.816 50 10 JKGE CC1=C(C#N)C(=O)N([C@@H](C)c2ccccc2)C(=O)C1=Cc1ccc(-c2ccc(Br)cc2)o1 2314618158 IHRWWCOSLGWPBI-KRWDZBQOSA-N 487.353 6.063 50 10 JKGE CC[C@@H](NC(=O)C(C#N)=CNc1cc(OC)c(Cl)cc1OC)c1ccc2c(c1)CCCC2 2325092712 WNJOIQOERCPSDP-OAQYLSRUSA-N 453.970 5.323 50 10 JKGE CCOc1cc(C=C(C#N)n2cnc3ccccc32)ccc1OCc1ccc(Cl)cc1Cl 2331032871 SKFXZUDGEZWBMU-UHFFFAOYSA-N 464.352 6.842 50 10 JKGE COc1cc(C=C(C#N)c2cc3c(cc2[N+](=O)[O-])OCCO3)cc(OC)c1OCc1ccccc1 2331051394 JFWDTYNBEBYLDO-UHFFFAOYSA-N 474.469 5.026 50 10 JKGE N#CC(=C(O)COc1ccc(Cl)cc1Cl)c1nc(-c2ccc3ccccc3c2)cs1 2331238611 CXZRYFXSZLGRBF-UHFFFAOYSA-N 453.350 7.142 50 10 JKGE N#CC(=C(O)c1ccccc1I)c1nc(-c2ccc(F)cc2F)cs1 2331293153 YVYGMHZQPKTCHE-UHFFFAOYSA-N 466.250 5.643 50 10 JKGE CCCOc1ccc(-c2csc(C(C#N)=C(O)c3ccc(Cl)c([N+](=O)[O-])c3)n2)cc1OCCC 2331293716 UAEAOSAKHXJOCS-UHFFFAOYSA-N 499.976 6.899 50 10 JKGE CCOc1ccc(CCC(O)=C(C#N)c2nc(-c3ccc(OC)c(F)c3)cs2)cc1OC 2331337652 PECTYNHTBXAFKP-UHFFFAOYSA-N 454.523 5.791 50 10 JKGE Cc1cc(OCC(O)=C(C#N)c2nc(-c3cc(Cl)ccc3Cl)cs2)ccc1Cl 2331404572 QQDFZXMLHIYUIX-UHFFFAOYSA-N 451.762 6.950 50 10 JKGE CCCCCOc1ccc(C=C(C#N)c2nc(-c3ccc(Br)cc3)cs2)cc1OCC 2331429885 QFESZKYNENAIDK-UHFFFAOYSA-N 497.458 7.604 50 10 JKGE COc1cc(C=C(C#N)c2nc(-c3ccc(C(C)(C)C)cc3)cs2)ccc1OCc1ccc(C)cc1 2331453427 SCXDKKINZHIADC-UHFFFAOYSA-N 494.660 8.068 50 10 JKGE COc1cc(C=C(C#N)c2nc(-c3ccc(C)c(C)c3)cs2)cc(Br)c1OC(C)C 2331472525 BEVMSXWDHLPOFX-UHFFFAOYSA-N 483.431 7.049 50 10 JKGE Cc1cc(I)c(Oc2ccc(F)cc2CBr)cc1Cl 2336542947 CZHRPSOVUVPPBN-UHFFFAOYSA-N 455.492 6.079 50 10 JKGE Clc1cc(I)c([C@@H](Br)[C@H]2COc3ccccc3O2)s1 2338772125 DCGCFTFEFDHOOW-PWSUYJOCSA-N 471.541 5.282 50 10 JKGE COC1([C@@H](Br)c2c(C)cc(Br)c(F)c2Br)CC(C)C1 2339658836 MHXSPILYLGZSES-OFBKNLNESA-N 458.991 5.910 50 10 JKGE CCC[C@H](O[C@@]1(CI)CCCN(C(=O)OC(C)(C)C)C1)c1ccccc1 2340541417 LSYBJARPEPSDCO-GHTZIAJQSA-N 473.395 5.749 50 10 JKGE CC1(C)CC[C@H](CBr)N(Cc2ccc(Cl)cc2I)C1 2341029465 GGDGBAZLEJGRSF-CYBMUJFWSA-N 456.593 5.330 50 10 JKGE COc1c([C@H](Br)c2c(F)cc(Cl)c(Br)c2Cl)csc1C 2360482838 CHPALIPZGRXTJO-JTQLQIEISA-N 462.993 6.758 50 10 JKGE C[C@@H]1CCC[C@]12[C@@H](Br)C[C@H]2OCc1cc(Br)cc(Br)c1 2362239193 LCTYYZICFDQCGI-CXOGBFNASA-N 467.039 6.070 50 10 JKGE Clc1ccc(CN2CCC(CCCCBr)CC2)cc1I 2362376909 YSHMGDLWALEYNA-UHFFFAOYSA-N 470.620 5.722 50 10 JKGE Cc1ccc([C@H](Cl)c2c(C)cc(Br)c(F)c2Br)c(Br)c1 2365224161 VDDNEUAUYGZWQQ-AWEZNQCLSA-N 485.416 7.058 50 10 JKGE CC(C)[C@H](Br)C(C)(C)CN(C)Cc1cc(Br)ccc1Br 2365908611 PUZPOGLIGWFAFR-HNNXBMFYSA-N 470.087 6.089 50 10 JKGE Clc1cc(Cl)cc(CC[C@H](Cl)c2ccc(Cl)cc2I)c1 2366895981 HBRKHJFHWVRAGZ-AWEZNQCLSA-N 459.969 7.164 50 10 JKGE CN(CC[C@@H](Br)c1cccs1)Cc1cc(I)ccc1Cl 2380515868 VKYIKMXQBAYRDM-CYBMUJFWSA-N 484.628 5.964 50 10 JKGE Cc1ccc(CBr)c(OCc2c(C)nn(C)c2Br)c1Br 2380671423 SQYKCRWYRNUPLR-UHFFFAOYSA-N 466.999 5.036 50 10 JKGE Cc1ccc(CN(C(=O)CCl)[C@@H](C(=O)NC2CCC(C)CC2)c2ccc(Cl)cc2)cc1 3038379 XTWAUZPKKGOXDX-RSMZPQPPSA-N 461.433 5.652 50 10 JKGE CC(C)(C)c1ccc(C(=O)Nc2ccc(C(=O)N/N=C/c3ccc(Cl)c([N+](=O)[O-])c3)cc2)cc1 12491799 FDJUCQOKIIBCOR-JFLMPSFJSA-N 478.936 5.562 50 10 JKGE Cc1ccc(N/C(SCc2ccccc2F)=C(/C#N)S(=O)(=O)c2ccccc2)cc1Cl 20325248 XEXHQFZSBXPCTE-GHVJWSGMSA-N 472.994 6.299 50 10 JKGE Cc1cc(C)c(N/C(SCc2cc(C)ccc2C)=C(/C#N)S(=O)(=O)c2ccccc2)c(C)c1 20325728 JGDLZJFCJXEVMM-IMVLJIQESA-N 476.667 6.741 50 10 JKGE N#C/C(=C\c1cn(-c2ccccc2)nc1-c1ccc(Cl)cc1)C(=O)Nc1ccc2ccccc2c1 35518814 DTXOVMVNZYSHGY-XQNSMLJCSA-N 474.951 6.892 50 10 JKGE Cc1ccc2c(C)c(C(=O)Oc3ccc4c(c3)OC(N)=C(C#N)[C@H]4c3cccc([N+](=O)[O-])c3)oc2c1C 38688181 YYVUOQHZJQTLEF-DEOSSOPVSA-N 495.491 5.704 50 10 JKGE Cc1ccc(OC(=O)c2oc3c(c2C)/C(=N/NC(=O)c2ccc(-c4ccccc4)cc2)CCC3)cc1 40822792 XDOMHQUCYBFIEU-QCKNELIISA-N 478.548 6.253 50 10 JKGE CCOc1cc(/C=C(\C#N)C(=O)Nc2cccc(Cl)c2)ccc1OCc1ccccc1Cl 59117078 QNYZGBWNECQQFT-XDHOZWIPSA-N 467.352 6.517 50 10 JKGE Cc1nn(Cc2ccccc2Cl)c(C)c1/C=N/NC(=O)COc1ccc(Cl)cc1Cl 59148132 UTOCUDQFQXYBCU-KIBLKLHPSA-N 465.768 5.038 50 10 JKGE N#C/C(=C\c1cc(Br)ccc1OCc1ccc(Cl)cc1)C(=O)NC1CCCC1 59232972 QAHHJANTVHIXPB-GZTJUZNOSA-N 459.771 5.647 50 10 JKGE Cc1ccc(C)c(OCCCC(C)(C)C(=O)NNC(=O)c2ccc(OCc3ccccc3)cc2)c1 66201476 OQFZCKIFFNBWKO-UHFFFAOYSA-N 474.601 5.529 50 10 JKGE N#C/C(=C/c1ccc(OCc2ccccc2F)cc1)C(=O)Nc1nc(-c2ccccc2)cs1 96438679 IDFNTGMFMVAKRO-STZFKDTASA-N 455.514 6.074 50 10 JKGE BrC[C@H](CCOc1ccc(Br)cc1)Cc1ccc(Br)cc1 97183247 MIOOOCNLCPRKJN-CQSZACIVSA-N 477.034 6.234 50 10 JKGE CCc1ccc(N2C(=O)[C@H](Cc3ccccc3C)S/C2=C(/C#N)C(=O)Nc2cccc(C)c2)cc1 101245361 QQOQLSLQIRENBG-HFVAWESISA-N 481.621 5.931 50 10 JKGE COc1cc(/C=C2/C(=O)N(Cc3ccccc3)C(=O)C(C#N)=C2C)ccc1OCc1ccccc1F 101335178 KCRQSJCRPHCGBG-OEAKJJBVSA-N 482.511 5.206 50 10 JKGE CC1=C(C#N)C(=O)N(CCc2ccccc2)C(=O)/C1=C/c1ccc(-c2cc(Cl)ccc2Cl)o1 101338213 CGTSTGCNMHJWSC-XSFVSMFZSA-N 477.347 6.088 50 10 JKGE N#C/C(=C/Nc1ccccc1OC(F)(F)[C@H](F)Cl)c1nc(-c2cccc([N+](=O)[O-])c2)cs1 102420292 LLTPCLKVQJZCOY-XGCMIMOYSA-N 480.855 6.201 50 10 JKGE CCOC(=O)c1c(N/C=C(\C#N)c2nc(-c3ccc(F)cc3)cs2)sc(C(C)=O)c1C 103624403 AXRISMDNDYTKQO-XNTDXEJSSA-N 455.536 5.675 50 10 JKGE Brc1cccc([C@@H](Br)c2cc3c(cc2Br)OCCO3)c1 109865754 DQSXESFAJMDPIH-OAHLLOKOSA-N 462.963 5.467 50 10 JKGE O=c1[nH]c2cc(Br)c([C@@H](Br)c3ccc(Br)cc3Cl)cc2[nH]1 109884153 BAUZHDULPQMFAT-ZDUSSCGKSA-N 495.396 5.519 50 10 JKGE Br[C@@H](CCCOCCC[C@@H](Br)Cc1ccccc1)Cc1ccccc1 168251030 TYECBZOJCUHCAY-SZPZYZBQSA-N 468.273 6.576 50 10 JKGE CCOc1ccc(-c2nn(-c3ccccc3)cc2/C=C2\C(=O)N(CC(C)C)C(=O)C(C#N)=C2C)cc1 214270452 SQSCOEMTKXTSPI-MYYYXRDXSA-N 480.568 5.186 50 10 JKGE Fc1ccc(Br)c(-n2c(CCl)nc3cc(I)ccc32)c1 232253491 QXMQUJZESVPCRG-UHFFFAOYSA-N 465.491 5.271 50 10 JKGE Cc1cc(Br)c([C@H](Cl)c2cc(Br)cc(Br)c2)s1 235823463 RELDFBCGOLWAKR-LLVKDONJSA-N 459.428 6.672 50 10 JKGE Cc1cc([C@@H](Br)c2cc(Cl)ccc2I)cc(C)c1F 235863241 JDAZWFROKWBQAV-CQSZACIVSA-N 453.520 6.185 50 10 JKGE Fc1ccc([C@H](Cl)c2cc(Cl)ccc2I)cc1Br 236264487 FQVXLWXPVHJHOJ-ZDUSSCGKSA-N 459.911 6.174 50 10 JKGE CC(=NNC(=O)COc1c(Br)cc(C)cc1Br)c1ccc(Cl)cc1 252629027 TXDBWYNCJSOOAC-UHFFFAOYSA-N 474.580 5.093 50 10 JKGE Cc1cc(C(=O)NN=Cc2cc(Br)ccc2OCc2cccc(C(F)(F)F)c2)cs1 254364803 RHZXNRJAHSCHHW-UHFFFAOYSA-N 497.336 6.181 50 10 JKGE Fc1cc(Br)ccc1[C@@H]1CN(Cc2ccccc2)C[C@H]1CI 382690397 HZTSVKOYUARFRF-RHSMWYFYSA-N 474.155 5.239 50 10 JKGE COc1cc(Cl)ccc1[C@@H]1CN(C(=O)OCc2ccccc2)C[C@H]1CI 382716632 KXSYXDMIVGPIKI-CRAIPNDOSA-N 485.749 5.136 50 10 JKGE CO[C@H](CC(CBr)(CBr)c1ccc(Br)cc1)C(C)C 388977090 XOOLTKQOQKIYQL-CQSZACIVSA-N 457.044 5.538 50 10 JKGE BrCC(CBr)(Cc1ccsc1Br)c1ccccc1 388995451 WIMZQOYJQDVOAZ-UHFFFAOYSA-N 453.037 5.781 50 10 JKGE BrCC(CBr)(CCC[C@H]1CCOC1)c1ccc(Br)cc1 400643047 LGKTUMOXIXOSFA-ZDUSSCGKSA-N 469.055 5.684 50 10 JKGE CC(C)(C)OC(=O)Nc1cccc([C@H]2Cc3ccccc3N(CCO[Si](C)(C)C(C)(C)C)C2)c1 616673022 SSDZBRIMTJBCFW-QHCPKHFHSA-N 482.741 7.202 50 10 JKGE Brc1cc([C@H](Br)c2ncsc2Br)cc2c1OCCC2 698689872 OAYWNCSXWLZENL-JTQLQIEISA-N 468.008 5.477 50 10 JKGE Cc1sc([C@@H](Br)c2cc(Br)ccc2F)c(C)c1Br 724929223 VFUDFNKDRQVGDG-LBPRGKRZSA-N 457.000 6.513 50 10 JKGE CCOc1cc(/C=C(/C#N)C(=O)Nc2cccc3ccccc23)ccc1OC(=O)c1ccc(Cl)cc1 1084100389 GZTPZTQXMYSBNE-JWGURIENSA-N 496.950 6.657 50 10 JKGE O=C(NN=C(CSc1nc2ccccc2s1)c1ccc([N+](=O)[O-])cc1)c1cccc(Cl)c1 1084192530 VTTXNAIKHFXTPE-UHFFFAOYSA-N 482.974 5.784 50 10 JKGE COc1ccc(CSCC(=O)NN=Cc2cc(C)n(-c3cccc(Br)c3)c2C)cc1 1084530858 JQTJILQVIZIRIY-UHFFFAOYSA-N 486.435 5.249 50 10 JKGE N#C/C(=C/c1cc(Cl)ccc1OCc1cccc(Cl)c1)C(=O)Nc1ccc(Cl)cc1 1084606629 AXAFWHKMAOTAQR-BOPFTXTBSA-N 457.744 6.771 50 10 JKGE CC(C)(C)c1ccc(OCCCC(=O)NN=Cc2ccc(Cl)cc2)c(Br)c1 1772755981 WTHSKWUYDZAYEA-UHFFFAOYSA-N 451.792 5.709 50 10 JKGE CCCc1nn(Cc2cc(C)ccc2C)c2c1[C@H](c1ccc(Cl)cc1Cl)C(C#N)=C(N)O2 1865685375 HTISULOHASSPIH-JOCHJYFZSA-N 467.400 6.026 50 10 JKGE CCCc1nn(Cc2ccccc2Cl)c2c1[C@@H](c1ccc(Cl)cc1Cl)C(C#N)=C(N)O2 1865685830 NTVXSWOBDRNJFC-FQEVSTJZSA-N 473.791 6.062 50 10 JKGE N#CC1=C(N)Oc2c(c(C(F)(F)F)nn2-c2cccc3ccccc23)[C@H]1c1ccccc1Cl 1865686593 YBPXEJZFQZKYPB-IBGZPJMESA-N 466.850 5.916 50 10 JKGE CCCc1nn(Cc2ccccc2)c2c1[C@@H](c1ccc(OC(=O)c3ccccc3)cc1)C(C#N)=C(N)O2 1865705267 QFBLDOQFZWDPKX-SANMLTNESA-N 490.563 5.321 50 10 JKGE N#CC1=C(N)Oc2c(c(-c3ccccc3)nn2Cc2ccccc2F)[C@H]1c1ccc(C(F)(F)F)cc1 1865710705 FXKCMRJOTKOLQM-QFIPXVFZSA-N 490.460 5.974 50 10 JKGE CN1CCN(c2cc(Nc3ccc(SC#N)cc3)nc(Cc3ccccc3)n2)C[C@@H]1c1ccccc1 1868207111 GRWUKWABHSQWMU-AREMUKBSSA-N 492.652 5.877 50 10 JKGE N#C/C(=C(/O)Cc1ccc(Cl)c(Cl)c1)c1nc(-c2cccc(Br)c2)cs1 1872746220 YMMADWKPHJASPU-JXAWBTAJSA-N 466.187 6.915 50 10 JKGE CCOc1ccc(-c2csc(/C(C#N)=C(\O)Cc3ccc(OCc4ccccc4)cc3)n2)cc1 1872747923 ZCDVMHRCJUDALB-RFBIWTDZSA-N 468.578 6.823 50 10 JKGE CCOc1ccc(OCC)c(-c2csc(/C(C#N)=C(O)/C=C/c3ccc(Cl)c(Cl)c3)n2)c1 1872755108 YTYCYQZGUHFAQG-UAWJGFCLSA-N 487.408 7.420 50 10 JKGE COc1ccc(-c2csc(/C(C#N)=C(\O)[C@H](C(C)C)N3C(=O)c4ccccc4C3=O)n2)cc1Cl 1872757836 YECVTOVJMZJWDK-LEHARJQJSA-N 493.972 5.586 50 10 JKGE CCc1cccc(C)c1N1C[C@H](/C(O)=C(\C#N)c2nc(-c3ccc(Cl)s3)cs2)CC1=O 1872757921 CHSJFXMKGCKFIL-QJIFYWSCSA-N 470.019 6.242 50 10 JKGE COc1ccc(-c2csc(/C(C#N)=C(\O)c3cc(Cl)ccc3Cl)n2)c(OC)c1OC 1872759274 JDWFEMPDLADXNO-JXAWBTAJSA-N 463.342 6.093 50 10 JKGE COc1ccc(-c2csc(/C(C#N)=C(\O)[C@H](C)Oc3ccc(C(C)C)cc3)n2)c(OC)c1OC 1872759665 VYPVSIWJGSADFT-YZNZPZSRSA-N 480.586 6.219 50 10 JKGE CCOc1c(Br)cc(/C=C(\C#N)c2nc(-c3ccc4ccccc4c3)cs2)cc1OC 1872782721 QXDSSMZZTKPHDU-KEBDBYFISA-N 491.410 7.197 50 10 JKGE Cc1sc(Br)cc1S(=O)(=O)N(Cc1ccccc1)[C@H](CBr)C(C)C 1915296818 YSHDRFQBBCWCOM-OAHLLOKOSA-N 495.302 5.429 50 10 JKGE Cl[C@H](c1ccc(OCc2ccccc2)cc1)c1sc(Br)cc1Br 1922889410 YKMPSCPGORSRHF-QGZVFWFLSA-N 472.629 7.180 50 10 JKGE Fc1ccc([C@@H](Cl)c2c(Br)sc(Br)c2Cl)cc1Cl 1923041220 ZRHHZFVFLLJOHL-MRVPVSSYSA-N 453.385 7.047 50 10 JKGE C[C@@]1([C@H](Br)c2c(Br)sc(Br)c2Br)CCOC1 1924614182 WZHSKMZDOXFUDK-GMSGAONNSA-N 497.872 5.898 50 10 JKGE Clc1sc(Br)c(Cl)c1[C@@H](Br)c1sncc1Br 1925548925 PKSMFTNIZAWNNP-SCSAIBSYSA-N 486.863 6.521 50 10 JKGE Cc1cc([C@H](Br)c2c(Cl)sc(Cl)c2Cl)sc1Br 1925569476 UMSOPXXTUVDTRB-LURJTMIESA-N 455.451 7.325 50 10 JKGE Fc1cc(Br)ccc1[C@H](Br)c1c(Cl)sc(Cl)c1Cl 1925586606 BAUWXVVQIRYBDN-QMMMGPOBSA-N 453.385 7.094 50 10 JKGE Fc1c(Cl)cccc1[C@@H](Br)c1c(Cl)sc(Br)c1Cl 1925586736 CMIJXOSKEYCMSP-SSDOTTSWSA-N 453.385 7.094 50 10 JKGE Clc1c(Br)ccc(CBr)c1N1CC[C@@H](COCc2ccccc2)C1 1948735003 JXFXHUPYFTULMA-OAHLLOKOSA-N 473.636 6.041 50 10 JKGE C[C@@H]1C[C@@H](N(C)c2ccc(CBr)cc2Br)CN1Cc1ccccc1 1949205352 RSEICOLSWNSYQU-CRAIPNDOSA-N 452.234 5.443 50 10 JKGE Cc1nc([C@H](Cl)c2sc(Br)cc2Br)c(Br)s1 1980616034 XGISVKCYHZBBAR-LURJTMIESA-N 466.445 6.129 50 10 JKGE CCc1cc(Br)c([C@@H](Br)c2cc(F)ccc2Br)s1 2029232283 GUQUZOGQEVHOAU-LBPRGKRZSA-N 457.000 6.459 50 10 JKGE Fc1cc(F)c([C@H](Br)c2csc(Br)c2Br)cc1F 2032959167 VXMYASXPVKCTIB-VIFPVBQESA-N 464.926 6.175 50 10 JKGE O=S(=O)(c1cc(CCl)sc1Br)N(Cc1ccccc1)C1CCCCC1 2034754795 RYHQDVXSVAHRNU-UHFFFAOYSA-N 462.862 5.773 50 10 JKGE C[C@@]1(CI)CC[C@]2(CN(Cc3ccccc3)C3(CCCCCC3)C2)O1 2038914473 SVYOFVICBOLVPF-UNMCSNQZSA-N 453.408 5.728 50 10 JKGE COc1sc([C@@H](Br)c2nn(C)c(Cl)c2Br)cc1Br 2048154785 FTBITOPSRGJXNN-ZCFIWIBFSA-N 479.419 5.153 50 10 JKGE O=S(=O)(c1ccc(CCBr)s1)N(Cc1ccccc1)Cc1cccs1 2059286543 MWGSJNZZFUZBMY-UHFFFAOYSA-N 456.452 5.138 50 10 JKGE Fc1ccc([C@H](Br)c2ccc(Br)cc2I)c(F)c1 2086149594 PQTHBXGEYOGFQZ-ZDUSSCGKSA-N 487.907 5.816 50 10 JKGE Cc1cc(Br)c([C@@H](Br)C[C@H]2CCCOCC2)cc1Br 2089238395 YNKCVXQDFFZITO-NHYWBVRUSA-N 455.028 6.163 50 10 JKGE COc1cc(F)c([C@@H](Br)c2cc(Br)sc2C)cc1Br 2138160153 KQEPICPJHRFUQV-ZDUSSCGKSA-N 472.999 6.214 50 10 JKGE Cc1cc(C)c(C)c([C@@H](Cl)c2c(Br)sc(Br)c2Br)c1 2138305475 QAGWFITUFFDUQM-GFCCVEGCSA-N 487.482 7.289 50 10 JKGE FC(F)(F)c1ccc(CBr)c(Oc2cccc(I)c2)c1 2155763704 JSCBOGZZNPJJCJ-UHFFFAOYSA-N 457.027 5.997 50 10 JKGE CCCCC[C@H]1CC[C@H]([C@@H](Br)c2cc(Br)c(Br)s2)CC1 2168773541 XLVDYFYPFWDNIY-LALPHHSUSA-N 487.139 8.096 50 10 JKGE Clc1cccc(Br)c1[C@H](Cl)c1cc(I)cc2c1OCC2 2169462055 JIODMYNGVKARRC-CQSZACIVSA-N 483.958 5.970 50 10 JKGE Cc1cc(Br)c(C)c([C@H](Br)[C@@H]2CCCC23CCC3)c1Br 2201079121 QTPOCCYYOYTOGB-BLLLJJGKSA-N 465.067 7.235 50 10 JKGE Cc1c(Br)ccc([C@@H](Br)c2cc3c(s2)CCCC3)c1Br 2203683256 GUNTXODBLYPFIZ-MRXNPFEDSA-N 479.075 6.945 50 10 JKGE CCN(C[C@](C)(CI)O[C@H]1CCCC(F)(F)C1)C(=O)OC(C)(C)C 2216582785 OENLFIMZVVIMKK-BBRMVZONSA-N 461.331 5.032 50 10 JKGE Clc1cc(Br)ccc1C[C@H](Br)c1ccccc1OCc1ccccc1 2221700682 VMCWWEIOPNYYLO-IBGZPJMESA-N 480.627 7.360 50 10 JKGE COc1cc(Cl)c([C@H](Br)c2scc(Br)c2C)cc1Br 2226123316 GANOEWWGSKKLNB-LBPRGKRZSA-N 489.454 6.728 50 10 JKGE CC1(C)CN(C(=O)c2cc(Br)c(Br)s2)C[C@@H]1CCBr 2230121304 KPDYKEQJZKVOIL-QMMMGPOBSA-N 474.056 5.156 50 10 JKGE Brc1cc([C@@H](Br)c2ccc([C@@H]3CCOC3)s2)c(Br)s1 2231738159 KBWOCWMDWSNHLW-JMCQJSRRSA-N 487.076 6.323 50 10 JKGE O=C(c1scc(Br)c1Br)N1CC[C@@H]2[C@H](Br)CCC[C@H]2C1 2233744791 CNBMLAKTWMQOLQ-LPEHRKFASA-N 486.067 5.299 50 10 JKGE Fc1cc(Br)c(Br)cc1[C@H](Br)C1(CC(F)(F)F)CCC1 2233974006 CLLGIGKFGLITSB-NSHDSACASA-N 482.935 6.909 50 10 JKGE CC(C)CCC[C@H](C)CCO[C@@H]1CN(C(=O)OC(C)(C)C)C[C@@H]1I 2248820067 AQZLJZCZPWVOQZ-YESZJQIVSA-N 453.405 5.278 50 10 JKGE CCN(C[C@@](C)(CI)OCC[C@@H]1CCCCC12CC2)C(=O)OC(C)(C)C 2264863899 ZHSLCVWIPVHASK-FXAWDEMLSA-N 479.443 5.814 50 10 JKGE CC1(C)[C@H]2C[C@H]([C@H](Br)Cc3cc(Br)cc(Br)c3)C[C@H]21 2277950785 YDPVZUSSGDTSRY-QPKOPYBWSA-N 451.040 6.200 50 10 JKGE Brc1ccc(CN2CCC3(CC[C@H](Br)C3)CC2)c(Br)c1 2287977628 AZNXLQJXRDMCCK-AWEZNQCLSA-N 466.055 5.741 50 10 JKGE Fc1cc(Br)c(F)c(Br)c1[C@@H](Br)C1C[C@H]2CC[C@H](C1)C2 2288499428 UABYEBIEXROACO-UPFKWVMWSA-N 472.993 6.752 50 10 JKGE COc1ccccc1C=CC=NNC(=O)CSc1nnc(-c2ccccc2)n1-c1ccc(C)cc1 2293638390 PCDNXOAQPZFSCH-UHFFFAOYSA-N 483.597 5.159 50 10 JKGE CCc1ccc(NC(=O)C(C#N)=Cc2cn(Cc3cccc4ccccc34)c3ccccc23)cc1 2294193069 OMHLQNJDCSEANO-UHFFFAOYSA-N 455.561 6.951 50 10 JKGE CCOc1cccc(NC(=O)C(C#N)=Cc2cc(C)n(-c3sc4c(c3C#N)CCCC4)c2C)c1 2294193532 YRGNBAAHTDRHTJ-UHFFFAOYSA-N 470.598 5.851 50 10 JKGE COCC1([C@@H](Br)Cc2cc(Br)cc(Br)c2)CCCCC1 2295343691 ZPVJXHUTGSMZJX-HNNXBMFYSA-N 469.055 6.115 50 10 JKGE Cc1ccc(NC(=O)C(C#N)=C2S[C@H](Cc3ccc(F)cc3)C(=O)N2c2ccc(F)cc2)cc1 2296834860 UDQFAGAQGXCZDF-HSZRJFAPSA-N 475.520 5.338 50 10 JKGE Fc1cc(Cl)c(Br)c(Cl)c1[C@@H](Br)[C@H]1C[C@@H](Br)C1 2299029821 DZRFULFTIGVGDP-ZDEZVYLVSA-N 469.801 6.505 50 10 JKGE CC(C)C1CC([C@H](Br)c2ccc(OCc3ccccc3)cc2Br)C1 2299524784 HNGMVKWOHIKAND-BPZDKFOGSA-N 452.230 7.146 50 10 JKGE CC(C)C(C(C)C)[C@H](Br)c1ccc(OCc2ccccc2)cc1Br 2299529382 BCFXEKJBLMGCNO-OAQYLSRUSA-N 454.246 7.392 50 10 JKGE FC(F)(F)C1CC([C@H](Br)c2sc(Cl)cc2I)C1 2301088442 IGGSAQVOBFESAU-YXFGPURMSA-N 459.496 6.031 50 10 JKGE Cc1ccc(NC(=O)C(C#N)=Cc2cc(Cl)ccc2OCc2ccc(Cl)cc2Cl)cc1C 2313637859 HRHBZOYZFXGECD-UHFFFAOYSA-N 485.798 7.388 50 10 JKGE Cc1ccc(C)c(NC(=O)C(C#N)=Cc2cc(Br)ccc2OCc2ccccc2)c1 2313667196 HENWHYCXFDUQJX-UHFFFAOYSA-N 461.359 6.191 50 10 JKGE CC1(C)CCCC[C@H]1[C@@H](Br)c1cc(Br)ccc1OCc1ccccc1 2314448566 IZDLOFOSQYKRDU-FPOVZHCZSA-N 466.257 7.681 50 10 JKGE Cc1ccccc1NC(=O)C(C#N)=Cc1c(Oc2cccc(C)c2C)nc2c(C)cccn2c1=O 2314532507 JRHLSHNMEBBHGD-UHFFFAOYSA-N 464.525 5.266 50 10 JKGE CCc1ccc(Oc2nc3c(C)cccn3c(=O)c2C=C(C#N)C(=O)Nc2ccccc2C)cc1 2314533908 VDWJJXUGPDRPHC-UHFFFAOYSA-N 464.525 5.212 50 10 JKGE N#CC(=Cc1ccc2noc(-c3ccc(Cl)cc3)c2c1)C(=O)Nc1ccccc1C(F)(F)F 2314572364 ZGRQVLOJPUNUOZ-UHFFFAOYSA-N 467.834 6.713 50 10 JKGE COc1ccc(N2C(=O)[C@@H](Cc3ccccc3C)SC2=C(C#N)C(=O)Nc2ccc(C)cc2)cc1 2314592206 NVAOWOMUBQCFDY-RUZDIDTESA-N 483.593 5.377 50 10 JKGE COC(=O)c1c(-c2ccc3c(c2)CCCC3)csc1NC(=O)C(C#N)=Cc1ccc(C(C)C)cc1 2314793192 NBOCQBNLHMZEFZ-UHFFFAOYSA-N 484.621 6.750 50 10 JKGE Cc1cc(Br)c(F)c(Br)c1[C@H](Br)[C@H]1C[C@H]1C(F)F 2317424028 RQPVQIDKUGXRQT-CCGCGBOQSA-N 450.918 5.996 50 10 JKGE CCOc1cc(C=C(C#N)c2nc3cc(C)ccc3n2C)ccc1OCc1c(Cl)cccc1Cl 2331019270 GCZXVWXCRTWPFI-UHFFFAOYSA-N 492.406 7.230 50 10 JKGE CCc1cccc(CC)c1N1C[C@@H](C(O)=C(C#N)c2nc(-c3ccc4ccccc4c3)cs2)CC1=O 2331238786 VTCFTHNJSWLNMV-DEOSSOPVSA-N 493.632 6.934 50 10 JKGE COc1ccc(OCCCC(O)=C(C#N)c2nc(-c3cc(OC)ccc3OC)cs2)cc1 2331326086 YVNDZIDDYZGRMW-UHFFFAOYSA-N 452.532 5.488 50 10 JKGE CC(C)(C)c1ccc(-c2csc(C(C#N)=C(O)COc3cc(Cl)ccc3Cl)n2)cc1 2331332014 VTDKXOPBIAYJEN-UHFFFAOYSA-N 459.398 7.286 50 10 JKGE COc1ccc(OCC(O)=C(C#N)c2nc(-c3ccc4c(c3)OCO4)cs2)c(C(C)(C)C)c1 2331335788 NIGLBMKKFRSQKO-UHFFFAOYSA-N 464.543 5.717 50 10 JKGE CC(C)C[C@@H](C(O)=C(C#N)c1nc(-c2cccc3ccccc23)cs1)N1C(=O)c2ccccc2C1=O 2331339184 NSDVWNJQLYCTCZ-VWLOTQADSA-N 493.588 6.467 50 10 JKGE COc1ccc(Cl)cc1-c1csc(C(C#N)=C(O)c2ccc3c(c2)C(=O)N(C(C)(C)C)C3=O)n1 2331410852 KUANPXMWUFZKKB-UHFFFAOYSA-N 493.972 5.816 50 10 JKGE COc1ccc(-c2csc(C(C#N)=C(O)CCCOc3ccc(Cl)cc3)n2)c(OC)c1OC 2331412734 CBJNIDIOQFQJPD-UHFFFAOYSA-N 486.977 6.141 50 10 JKGE Fc1c(Br)cc(Cl)c([C@H](Br)CC[C@H]2CCOC2)c1Br 2337080624 KRORSKOYVQROSQ-JGVFFNPUSA-N 479.409 6.257 50 10 JKGE Fc1c(Br)cc(Cl)c([C@@H](Br)CC[C@@H]2CCCO2)c1Br 2337092864 XBVZKTXBGOIJNW-YUMQZZPRSA-N 479.409 6.399 50 10 JKGE BrCC1CCC2(CC1)CCN(Cc1sccc1I)C2 2338761210 VWRJPHIFYRJKHY-UHFFFAOYSA-N 454.215 5.130 50 10 JKGE COc1cc(CBr)cc(Oc2cc(Br)cc(I)c2)n1 2339269435 SECQAVCXGUKWRJ-UHFFFAOYSA-N 498.940 5.145 50 10 JKGE Cc1cc(Br)c(F)c(Br)c1[C@@H](Cl)c1cc(Br)n(C)n1 2339683750 GUGRZWNOYYJTAA-NSHDSACASA-N 475.381 5.483 50 10 JKGE C[C@@](CCl)(Cc1ccc(I)c(Br)c1)C1CCCCC1 2349863735 BCVVONVYOZQFHD-INIZCTEOSA-N 455.605 6.422 50 10 JKGE CC[C@H](C)c1ccc([C@@H](Br)c2ccc(Cl)cc2I)cc1 2365592039 KIBBVEPSZMTJMM-APPDUMDISA-N 463.584 6.942 50 10 JKGE C[C@@H]1CC2CC(COc3c(Br)cc(CBr)cc3Br)(C2)O1 2368168283 FRXCRDDVFXDMFU-IWPPJYEWSA-N 469.011 5.443 50 10 JKGE 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 1827774 KRSXPVNJGBGZTK-HWHXTQLESA-N 458.606 5.740 50 10 JKGE COc1cc(/C=C(/C#N)c2ccccc2OC)ccc1OC(=O)c1ccc(C(F)(F)F)cc1 31902016 DBMBYKFINFPSHU-AQTBWJFISA-N 453.416 6.006 50 10 JKGE Cc1cc(/C=C(/C#N)C(=O)Nc2ccc(C(=O)O)cc2)c(C)n1-c1cc(C(F)(F)F)ccc1Cl 33411277 UELBPGLOVNHVCT-YVLHZVERSA-N 487.865 6.010 50 10 JKGE CCOC(=O)c1c(NC(=O)/C(C#N)=C/c2ccc3noc(-c4ccccc4)c3c2)sc2c1CCCC2 35515994 VOZCAWVGZBQXQL-XMHGGMMESA-N 497.576 6.157 50 10 JKGE CCCOc1ccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)Cc4cccc5ccccc45)ccc32)cc1 38650682 SWRGGYKFWSVHGU-PMERELPUSA-N 490.559 5.995 50 10 JKGE C=CCOc1ccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)COc4cccc(C)c4C)ccc32)cc1 38658206 IZELVCHQZANNIA-MUUNZHRXSA-N 482.536 5.071 50 10 JKGE COc1ccccc1C(=O)Oc1ccc2c(c1)OC(N)=C(C#N)[C@@H]2c1c(Cl)cccc1Cl 38679496 UDANMIKSGOQMLA-OAQYLSRUSA-N 467.308 5.439 50 10 JKGE CCCOc1ccccc1C(=O)Oc1ccc2c(c1)OC(N)=C(C#N)[C@@H]2c1ccc(SC)cc1 38682582 BADNMXNJNCPNNI-RUZDIDTESA-N 472.566 5.635 50 10 JKGE CSc1ccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4cc([N+](=O)[O-])ccc4Cl)ccc32)cc1 38682633 UBTSHLQPFNFWCA-QFIPXVFZSA-N 493.928 5.407 50 10 JKGE CCCCOc1ccccc1[C@@H]1C(C#N)=C(N)Oc2cc(OC(=O)COc3cccc(C)c3C)ccc21 38683002 VEXASBWEPUVMQE-LJAQVGFWSA-N 498.579 5.685 50 10 JKGE COc1ccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4oc5ccc(C)cc5c4C)ccc32)cc1OC 38688626 RMISMQLWROLSSY-SANMLTNESA-N 496.519 5.504 50 10 JKGE N#C/C(=C\c1ccc2noc(-c3ccccc3)c2c1)c1nc(-c2ccc3ccccc3c2)cs1 39884998 YIAJPQBUEMPKIY-ZVHZXABRSA-N 455.542 7.836 50 10 JKGE CCCCOc1ccc(/C=C(\C#N)C(=O)Nc2nc(-c3ccc(-c4ccccc4)cc3)cs2)cc1 40882531 QFVRRDDQFVOHGJ-XIEYBQDHSA-N 479.605 7.202 50 10 JKGE CCCCCOc1ccc(/C=N/NC(=O)CSc2nc(-c3ccccc3)cs2)cc1OC 40924391 OWKLFBFJCFNDIN-MFKUBSTISA-N 469.632 5.630 50 10 JKGE C[C@@H]1CCCC[C@H]1NC(=O)[C@@H](c1ccccc1Cl)N(CCc1ccccc1)C(=O)CCl 97914348 FNRXHCXFBLOJSR-IHLLOCCUSA-N 461.433 5.386 50 10 JKGE COc1ccc([C@H](C(=O)NC2CCC(C)CC2)N(Cc2ccc(C)cc2)C(=O)CCl)cc1OC 97914820 WUHAZLMMCBUWTB-UYSSGXRJSA-N 487.040 5.016 50 10 JKGE COc1cc(/C=C2/C(=O)N(Cc3ccco3)C(=O)C(C#N)=C2C)ccc1OCc1ccccc1Cl 101336903 FNXQKEYMLLXIQV-CIAFOILYSA-N 488.927 5.313 50 10 JKGE C[C@@H](CCBr)CCOc1c(Br)cc([N+](=O)[O-])cc1Br 115234439 LMLQCJUEDUMHCI-QMMMGPOBSA-N 459.960 5.310 50 10 JKGE Cc1cc([C@@H](Br)c2cc(Br)c(Br)s2)c(C)cc1Cl 128875117 GECRXLYOFWRUGR-GFCCVEGCSA-N 473.455 7.028 50 10 JKGE COc1cc([C@@H](Br)c2ccc(C)cc2Br)c(OC)cc1Br 134293309 FXYOSFIYHBQPFE-INIZCTEOSA-N 479.006 6.022 50 10 JKGE CCCCCCCCCOc1ccc(/C=N/NC(=O)c2cccc([N+](=O)[O-])c2)cc1OCC 169879932 LMNHKXKOAXIBQG-LGUFXXKBSA-N 455.555 5.887 50 10 JKGE CCCCCN1C(=O)C(C#N)=C(C)/C(=C/c2ccc(OCc3ccc(C)cc3)c(OCC)c2)C1=O 214238270 BENZAYRGQOTGCA-JLPGSUDCSA-N 472.585 5.755 50 10 JKGE CC[C@H](NC(=O)/C(C#N)=C\NCCc1ccc(Br)cc1)c1ccc2c(c1)CCCC2 217193695 HLEAUWFNVWORFB-JFARUEAUSA-N 466.423 5.135 50 10 JKGE Brc1cc2c(c([C@@H](Br)c3ccc(I)cc3)c1)OCC2 228445145 DMEVYNKVMQTYHL-AWEZNQCLSA-N 493.964 5.473 50 10 JKGE CC(C)(C)[C@@H](CCBr)NC(=O)c1cc(Br)sc1Br 231154316 YTOIXILUKVRPGE-MRVPVSSYSA-N 462.045 5.203 50 10 JKGE Fc1ccc(C[C@@H](Br)c2cc(Br)cc(Br)c2)cc1F 236152822 OQNRYNJETRGJIW-GFCCVEGCSA-N 454.934 6.169 50 10 JKGE CCCOc1ccc(/C=C(/NC(=O)c2ccccc2)C(=O)NN=C(C)c2ccc3ccccc3c2)cc1 254397761 CONTTYJYNALHKE-PUQQINARSA-N 491.591 5.940 50 10 JKGE CCCc1cc(C(=O)NN=C(C)c2ccc(NC(=O)C(F)(F)C(F)(F)C(F)(F)F)cc2)cs1 254440791 JKVJEQYSDKTKDO-UHFFFAOYSA-N 497.436 5.626 50 10 JKGE O=C(Nc1cc(Br)ccc1I)c1ccc(CCl)cc1 305978488 LUNDHOMARJFRNN-UHFFFAOYSA-N 450.501 5.045 50 10 JKGE Cc1cccc2nc(CCl)n(-c3ccc(I)cc3Br)c12 312207487 BMGUZSRXMADAIG-UHFFFAOYSA-N 461.528 5.440 50 10 JKGE Cc1cc(C)c([C@H](Cl)c2cc(Cl)ccc2I)c(C)c1Br 383589308 KLRGCRPPXVYXPI-MRXNPFEDSA-N 484.002 6.961 50 10 JKGE Fc1cc2c(cc1I)nc(CCl)n2CC1CCN(Cc2ccccc2)CC1 397545559 FHWHQWKVTWQIHD-UHFFFAOYSA-N 497.783 5.431 50 10 JKGE CC(C)(C)OC(=O)NCCN1CCOC[C@@H]1c1cccc(CCO[Si](C)(C)C(C)(C)C)c1 616640423 XPODPAVXGRQCNK-JOCHJYFZSA-N 464.723 5.149 50 10 JKGE CC(C)(C)OC(=O)Nc1cccc([C@@H]2CNc3ccccc3N2CCO[Si](C)(C)C(C)(C)C)c1 616685121 AHKSJIIEOCJOFQ-DEOSSOPVSA-N 483.729 7.029 50 10 JKGE COCc1cc(Br)c([C@@H](Br)c2cccc(F)c2Br)s1 688144776 KEMUNANUKYNUIM-LBPRGKRZSA-N 472.999 6.043 50 10 JKGE Brc1cccc([C@H](Br)c2cc(Br)c3c(c2)CCCO3)c1 689539509 FMXPUEAHIWDPDG-HNNXBMFYSA-N 460.991 6.021 50 10 JKGE COCc1csc([C@@H](Br)c2cc(Br)c(Br)s2)c1 689988927 QXSLPIUZVNONKI-SNVBAGLBSA-N 461.038 5.965 50 10 JKGE Cc1cc(Br)c([C@H](Br)[C@@]2(C)CC[C@H](C)C2(C)C)cc1Br 698997046 OGSFUFCOLHSLRO-XNJJOIOASA-N 467.083 7.418 50 10 JKGE COc1cc(C=NNC(=O)c2ccccc2NC(=O)c2cccs2)ccc1OCc1ccccc1 1083935506 ROYGSYZIEQNNLC-UHFFFAOYSA-N 485.565 5.352 50 10 JKGE O=C(NN=Cc1cccc(OCc2ccc(Cl)cc2Cl)c1)c1cc(Br)ccc1O 1084386177 LSKAKTNYOAHERO-UHFFFAOYSA-N 494.172 5.804 50 10 JKGE CC(=NNC(=O)[C@H](C)Sc1ccccc1)c1ccc2c(c1)[C@@H]1C=CC[C@@H]1[C@H](c1ccc(F)cc1)N2 1084516190 IFICDRRDYOYGKS-RKMGBUROSA-N 485.628 6.673 50 10 JKGE O=C(NN=Cc1c(Cl)cccc1Cl)C(O)(c1ccc(Cl)cc1)c1ccc(Cl)cc1 1088715403 XHCMPLBCDMBQAK-UHFFFAOYSA-N 468.167 5.686 50 10 JKGE CCOc1ccc2c(=O)c(-c3ccc(OC)cc3)c(C(=O)Nc3ccc(SC#N)cc3)oc2c1 1859766276 WTYPPUUDCYPCBG-UHFFFAOYSA-N 472.522 5.693 50 10 JKGE Cc1ccc(-n2nc(-c3ccccc3)c3c2OC(N)=C(C#N)[C@@H]3c2cccc3ccccc23)cc1 1865682009 CZOQJZIKDYGVDQ-SANMLTNESA-N 454.533 6.219 50 10 JKGE CCCc1nn(-c2cccc3ccccc23)c2c1[C@H](c1c(F)cccc1Cl)C(C#N)=C(N)O2 1865682415 NXHADCHIQSOXOE-QFIPXVFZSA-N 458.924 5.989 50 10 JKGE CCCOc1ccc([C@@H]2C(C#N)=C(N)Oc3c2c(-c2ccccc2)nn3Cc2ccc(Cl)cc2)cc1 1865693493 JZVGJZFOVYUQSL-RUZDIDTESA-N 496.998 6.259 50 10 JKGE N#CC1=C(N)Oc2c(c(C(F)(F)F)nn2-c2cccc3ccccc23)[C@@H]1c1cccc(F)c1 1865710585 CACYQQWRWWFUSS-LJQANCHMSA-N 450.395 5.402 50 10 JKGE Cc1cc(OCCC/C(O)=C(\C#N)c2nc(-c3ccc4c(c3)CCCC4)cs2)cc(C)c1Cl 1872745131 CBIPSIMVXKSPAH-BZZOAKBMSA-N 479.045 7.611 50 10 JKGE C[C@@H](c1ccccc1)N1C[C@@H](/C(O)=C(\C#N)c2nc(-c3ccc(C(C)(C)C)cc3)cs2)CC1=O 1872751137 SUEIXLZCFBRCKC-SQOKTJSVSA-N 471.626 6.510 50 10 JKGE CCCCCCCOc1ccc(-c2csc(/C(C#N)=C(\O)CCCOc3ccccc3)n2)cc1 1872753398 VFIPKDXKYMUDDE-RFBIWTDZSA-N 476.642 7.811 50 10 JKGE COc1cc(C)c(-c2csc(/C(C#N)=C(O)/C=C/c3ccc(C(C)C)cc3)n2)cc1C(C)C 1872753922 UWVKBHOGSKNDKY-NVGMMYGQSA-N 458.627 7.880 50 10 JKGE CCc1ccc(OCCC/C(O)=C(\C#N)c2nc(-c3cc(C(C)(C)C)ccc3C)cs2)cc1 1872755788 FYCODPLRDFDCBU-LCUIJRPUSA-N 460.643 7.630 50 10 JKGE Cc1ccc(C)c(-c2csc(/C(C#N)=C/c3ccccc3OCc3ccc(Cl)cc3)n2)c1 1872790952 NLASYRRWZZXUTH-HYARGMPZSA-N 456.998 7.724 50 10 JKGE COc1cc(/C=C(\C#N)c2nc(-c3ccc(C(C)C)cc3)cs2)ccc1OCCc1ccccc1 1872791611 NQOVXHWUIHHGLT-YZSQISJMSA-N 480.633 7.628 50 10 JKGE COc1c(Cl)cc(Cl)cc1-c1csc(/C(C#N)=C/c2cc(Br)ccc2F)n1 1872792890 WGVVNTWUTNPBSW-NYYWCZLTSA-N 484.177 7.091 50 10 JKGE CCCOc1c(/C=C(\C#N)c2nc(-c3cc(Cl)c(OC)cc3OC)cs2)cccc1OC 1872793482 CBFRJTXOBURFDQ-MHWRWJLKSA-N 470.978 6.342 50 10 JKGE CCCOc1ccc(/C=C(\C#N)c2nc(-c3cc(Cl)c(OC)c(Cl)c3)cs2)cc1OCC 1872794563 IZOIMWOQYDUOQI-RQZCQDPDSA-N 489.424 7.377 50 10 JKGE N#C/C(=C\c1cc(Br)ccc1F)c1nc(-c2cc(Cl)ccc2Cl)cs1 1872794855 ABGSYSFKYWVIAA-VZUCSPMQSA-N 454.151 7.083 50 10 JKGE C[C@H](COc1c(Br)cc(CBr)cc1Br)OC(C)(C)C 1876993838 CMFHXPNFKNUNDK-SECBINFHSA-N 459.016 5.689 50 10 JKGE C[C@H](Cl)c1nc2c(Br)cc(F)cc2n1CC[C@@H](C)N(C)Cc1ccccc1 1912669123 JYDNXGMFJUOJNZ-CABCVRRESA-N 452.799 6.148 50 10 JKGE CC(C)(C)OC1CC([C@H](Br)c2cc(Br)ccc2Br)C1 1913993472 CHXSXFOKDCXBFD-IUVQJJGASA-N 455.028 6.241 50 10 JKGE C[C@H](Br)CN(Cc1ccccc1)C(=O)c1cc(C(F)(F)F)ccc1Br 1914631530 DHRIUCZKPYBDLK-LBPRGKRZSA-N 479.134 5.894 50 10 JKGE C[C@H](CCBr)N(Cc1ccccc1)C(=O)c1cc(Cl)ccc1Br 1915129926 FCFSXHOCEANBOB-CYBMUJFWSA-N 459.609 5.918 50 10 JKGE Cc1cc(Br)ccc1C(=O)N(Cc1ccccc1)[C@@H](CBr)C1CC1 1915315551 XBZUNNPMPYEYAO-IBGZPJMESA-N 451.202 5.573 50 10 JKGE Clc1ccc(C[C@@H](Cl)c2cc(Br)ccc2I)nc1 1918238657 GXDHUXZDMCYWTD-GFCCVEGCSA-N 456.936 5.625 50 10 JKGE O=C(c1cc(Br)c(Br)s1)N1CC[C@@]2(CCC[C@H]2Br)C1 1918917268 RVGMKIRDYKQCDM-MFKMUULPSA-N 472.040 5.053 50 10 JKGE O=C(NCCCN(Cc1ccccc1)Cc1ccccc1)c1ccnc(-c2nc(CCl)cs2)c1 1922324356 NZOLPRVAZHMJHW-UHFFFAOYSA-N 491.060 5.766 50 10 JKGE C[C@H](c1ccncc1Br)[C@@H](Br)c1ccc(I)cc1 1924033722 VWHHELHHSGNVMS-YMTOWFKASA-N 480.969 5.688 50 10 JKGE C[C@H]1C[C@@H]([C@H](Cl)c2c(Br)sc(Br)c2Br)C[C@@H](C)O1 1924612638 CPNRYUJMKSTNTG-DHCFDGJBSA-N 481.475 6.519 50 10 JKGE CC(C)(C1CCCC1)[C@@H](Cl)c1c(Br)sc(Br)c1Br 1924616895 UXRIHDRKQUPSKH-JTQLQIEISA-N 479.503 7.532 50 10 JKGE CC1CC(C[C@@H](Cl)c2c(Br)sc(Br)c2Br)C1 1926971947 DZPAOCSAUOCDLV-KPGICGJXSA-N 451.449 6.752 50 10 JKGE C[C@H]1C[C@H](C)CC[C@H]1OC1(CI)CCN(C(=O)OC(C)(C)C)CC1 1947112793 PHOWOQLNDNVEPT-OWCLPIDISA-N 451.389 5.032 50 10 JKGE Fc1cc(Br)cc(N2CCC(OCc3ccccc3)CC2)c1CBr 2004045981 QXLLRMBTRVGSJT-UHFFFAOYSA-N 457.181 5.669 50 10 JKGE Cc1cc(Cl)c(Br)cc1[C@@H](Cl)c1cc(I)sn1 2023711497 VDFBUKSQTXPGBU-LLVKDONJSA-N 462.965 5.800 50 10 JKGE Cc1cc([C@@H](Br)[C@H](C)c2ccncc2Br)c(Br)s1 2039498459 KGOWQOKTZRVRRI-PELKAZGASA-N 454.025 6.216 50 10 JKGE Brc1cc([C@@H](Br)c2ccccc2C2CC2)sc1Br 2042273745 WNYAYHRLFLSSNU-ZDUSSCGKSA-N 451.021 6.635 50 10 JKGE Br[C@H](Cc1nc2ccccc2s1)c1cc(I)sn1 2056487669 NLAINFHILSXSID-SSDOTTSWSA-N 451.152 5.036 50 10 JKGE COc1cc(Cl)c([C@H](Cl)c2csc(I)c2)cc1Br 2082384781 KVZXILCNVTUZQZ-GFCCVEGCSA-N 477.976 6.105 50 10 JKGE Clc1cc2c(c([C@@H](Br)c3csc(Br)c3Br)c1)OCC2 2093941992 HTZRKRZAJOOVHQ-SNVBAGLBSA-N 487.438 6.346 50 10 JKGE C[C@@H](Br)C12CCC(CC1)N2C(=O)c1cc(Br)c(Br)s1 2097070777 RTRZCRSEEDTYFF-UYVLXELHSA-N 472.040 5.194 50 10 JKGE CC(C)(CBr)[C@@H]1CCCN1C(=O)c1scc(Br)c1Br 2099637963 QIADKZWCAASTFK-VIFPVBQESA-N 474.056 5.299 50 10 JKGE COc1ccc([C@@H](Br)c2cscc2OCc2ccccc2)c(OC)c1Br 2100090829 CRUSCHQUNUPROZ-GOSISDBHSA-N 498.236 6.591 50 10 JKGE CCCC(CBr)(CCC)CN=[S@](C)(=O)[C@@H]1CCN(C(=O)OC(C)(C)C)C1 2106784854 LPZBRBOLFDTDPE-AKJBCIBTSA-N 453.487 5.075 50 10 JKGE O=C(N[C@@H](CBr)c1cccs1)c1c(Br)cccc1Br 2119037019 BEKWHPIVSVTUFH-JTQLQIEISA-N 468.008 5.139 50 10 JKGE Clc1cc(Br)cnc1COc1ccc(CBr)cc1Br 2127187874 INYAPLJGPSOMBP-UHFFFAOYSA-N 470.386 5.734 50 10 JKGE Cc1cc(F)c(Cl)cc1[C@@H](Br)c1cc(I)ccc1F 2137062454 CPTMURRXKUMHII-CQSZACIVSA-N 457.483 6.016 50 10 JKGE COc1cc(Cl)c([C@H](Br)c2ccccc2Br)cc1Br 2137642335 ZQJYXKMEHLMPOH-CQSZACIVSA-N 469.398 6.358 50 10 JKGE COc1c(Cl)cc(Br)cc1[C@@H](Br)c1cc(Cl)c(Cl)s1 2138251818 KYEVKZOZKZLZMY-SNVBAGLBSA-N 465.421 6.964 50 10 JKGE CCCCCCCCC[C@@H](Br)c1ccc(Br)cc1Br 2138851571 LAOTVPWQRWZIAL-OAHLLOKOSA-N 455.072 7.788 50 10 JKGE Cl[C@H](c1cccc(Br)c1Br)c1cc(Br)cc2c1OCC2 2148748363 BZIJBDZPYREQBE-CQSZACIVSA-N 481.409 6.237 50 10 JKGE Cc1cc(C)c([C@H](Br)c2c(Br)sc(C)c2C)c(C)c1Br 2157251676 MNJGYIZNUBMNJP-HNNXBMFYSA-N 481.091 7.300 50 10 JKGE COc1ccc(C[C@@H](Br)c2sc(Br)c(C)c2Br)cc1F 2168413218 PTQIZOPUXZTZRG-SECBINFHSA-N 487.026 6.408 50 10 JKGE CCOc1ccc([C@@H](Br)c2nn(CC)cc2Br)c(Br)c1 2181175683 MPBDEBAEFIDBTC-CYBMUJFWSA-N 466.999 5.311 50 10 JKGE CN(c1cc(Br)cc(F)c1CBr)[C@@H]1C[C@@H]2C[C@@H](OCc3ccccc3)C[C@H]21 2190537160 LURSPPNXVJAWLR-NWUWZPLHSA-N 497.246 6.303 50 10 JKGE Cc1c(Br)ccc([C@H](Br)[C@@H]2C[C@H]2C2CCCCC2)c1Br 2203689174 XFHVJBNIRYRLCX-VBQJREDUSA-N 465.067 7.172 50 10 JKGE BrCc1cc(Br)c(OC[C@@H]2CCC3(CC3)CO2)c(Br)c1 2205239515 FCGYHMHOZOWWTA-NSHDSACASA-N 469.011 5.445 50 10 JKGE C[C@@H]1Cc2cc([C@H](Cl)c3ccc(Br)cc3I)ccc2O1 2207274165 ZGMIIUZVDXUNJJ-ABKXIKBNSA-N 463.540 5.705 50 10 JKGE CCC1CCC(O[C@@](C)(CI)CN(CC)C(=O)OC(C)(C)C)CC1 2217226606 UDPDABGCNIIVEA-RJYAGPCLSA-N 453.405 5.423 50 10 JKGE Cc1sc(Br)c(C)c1[C@H](Cl)c1cc(I)ccc1F 2218802046 AVDBOWVZCYLZSI-GFCCVEGCSA-N 459.549 6.199 50 10 JKGE C[C@]1(C(F)F)C[C@@H]1[C@H](Br)c1c(Br)cc(Cl)c(Cl)c1Cl 2224307332 MJWDTIMRRLJQBF-RHYIXAIDSA-N 457.367 7.137 50 10 JKGE C[C@H](Cl)c1nc2c(F)cc(Br)cc2n1CC[C@H](C)N(C)Cc1ccccc1 2232914825 BFJRDIBNRPNYBH-GJZGRUSLSA-N 452.799 6.148 50 10 JKGE Fc1cc(Cl)c(Br)cc1[C@@H](Br)c1scc(Br)c1Cl 2253598366 JITUAVYWXMOKIW-SECBINFHSA-N 497.836 7.203 50 10 JKGE Brc1cc(Br)c([C@@H](Br)C[C@@H]2CCCCC23CC3)s1 2253858165 TXOFRKHFROFAQT-UWVGGRQHSA-N 457.069 7.070 50 10 JKGE Cc1c(Br)sc([C@@H](Br)[C@@H]2COC3(CCC3)C2)c1Br 2257144307 NIBOKPXFTRYXMB-WPRPVWTQSA-N 459.041 5.977 50 10 JKGE COc1cc(Cl)c(Cl)cc1[C@@H](Br)c1scc(Br)c1Cl 2264607115 IRSRPEIBTGQROF-SNVBAGLBSA-N 465.421 6.964 50 10 JKGE COc1ccc([C@H](Br)c2c(C)nsc2Br)c(Br)c1Cl 2268282069 WVSCFUPYAPWRNT-VIFPVBQESA-N 490.442 6.123 50 10 JKGE COc1ccc([C@H](Br)c2cccc(Cl)c2Cl)cc1I 2269553032 BXGSTUJATBRIMD-ZDUSSCGKSA-N 471.947 6.091 50 10 JKGE COc1ccc([C@H](Cl)c2ccc(C)c(I)c2)cc1I 2269554640 UGDIPAHVLZOWTF-OAHLLOKOSA-N 498.529 5.541 50 10 JKGE COc1c([C@@H](Br)c2cc(Br)c(Br)cc2F)csc1C 2271694859 RXEQGJGFOOGZPP-LBPRGKRZSA-N 472.999 6.214 50 10 JKGE Brc1cc(Br)cc(C[C@@H](Br)c2csc(C3CC3)n2)c1 2277955393 JIGYEJXKESHWAU-GFCCVEGCSA-N 466.036 6.224 50 10 JKGE COc1c([C@@H](Br)c2c(Br)cc(C)c(Br)c2C)csc1C 2287223374 UYBYLJFJOQFOEX-CQSZACIVSA-N 483.063 6.691 50 10 JKGE COc1cc(C=C(C#N)C(=O)NCc2ccco2)ccc1OC(=O)c1ccc(Cl)c(Cl)c1 2293202136 HNMCZOXHAXCTEP-UHFFFAOYSA-N 471.296 5.038 50 10 JKGE COc1c(Br)cc(Cl)c(C)c1[C@@H](Br)c1scc(C)c1Cl 2295262786 MDDSUXTZGWFTKA-LLVKDONJSA-N 459.030 6.927 50 10 JKGE CCc1c(C)sc(NC(=O)C(C#N)=Cc2ccccc2OCc2cccc(C(F)(F)F)c2)c1C#N 2295669908 JSGPYBBCDZPZJC-UHFFFAOYSA-N 495.526 6.634 50 10 JKGE COc1ccc(NC(=O)C(C#N)=Cc2ccc(OCc3ccccc3)c(Br)c2)cc1 2296739233 IRKRBWDMJROOSQ-UHFFFAOYSA-N 463.331 5.582 50 10 JKGE COC(=O)c1ccc(NC=C(C#N)c2nc(-c3cc4cc(Cl)ccc4oc3=O)cs2)cc1 2296798327 BLXWZAUACGWXPQ-UHFFFAOYSA-N 463.902 5.333 50 10 JKGE N#CC(=Cc1ccc(Oc2ccc([N+](=O)[O-])cc2C#N)cc1)C(=O)Nc1ccc([N+](=O)[O-])cc1Cl 2297551563 RQVDZQCXMVOOHO-UHFFFAOYSA-N 489.831 5.366 50 10 JKGE COc1cc(C=C(C#N)C(=O)N(C)C)cc(Br)c1OCc1ccc(Cl)cc1Cl 2313567928 PUNBZIGKOBJNDB-UHFFFAOYSA-N 484.177 5.339 50 10 JKGE Brc1ccc(OCc2ccccc2)c([C@H](Br)[C@H]2CCCCC23CC3)c1 2314439467 HVDKARKJUWWFRB-CTNGQTDRSA-N 464.241 7.435 50 10 JKGE COC(=O)c1c(NC(=O)C(C#N)=Cc2ccc(-c3ccccc3Cl)o2)sc2c1CCCC2 2314572062 RSFMFBRARZMZQJ-UHFFFAOYSA-N 466.946 5.873 50 10 JKGE CCCCNC(=O)C(C#N)=Cc1ccc(OC(=O)C=Cc2ccc(OCCCC)cc2)c(OC)c1 2314777771 UAHLAOFLWXLUIB-UHFFFAOYSA-N 476.573 5.316 50 10 JKGE COC(C)(C)C1([C@@H](Br)c2sc(Br)c(C)c2Br)CC1 2320459270 XXRMNIMQWDDHOT-JTQLQIEISA-N 461.057 6.223 50 10 JKGE Cc1ccc(-c2csc(C(C#N)=C(O)c3ccc4c(c3)C(=O)N(Cc3ccccc3)C4=O)n2)cc1 2331312271 AZMCUNRDLREEPT-UHFFFAOYSA-N 477.545 5.865 50 10 JKGE N#CC(=C(O)c1c(Cl)ccc(Cl)c1Cl)c1nc(-c2ccc3c(c2)OCO3)cs1 2331334688 BJRDDURGYUKRIX-UHFFFAOYSA-N 451.718 6.449 50 10 JKGE COc1ccc(-c2csc(C(C#N)=C(O)c3ccc4c(c3)C(=O)N(C(C)(C)C)C4=O)n2)cc1F 2331337083 XDVYNWGWFWTFHP-UHFFFAOYSA-N 477.517 5.302 50 10 JKGE CCc1ccc(OCCCC(O)=C(C#N)c2nc(-c3cc(C(C)(C)C)ccc3OC)cs2)cc1 2331350872 ZTGOTYCFXUJXGY-UHFFFAOYSA-N 476.642 7.330 50 10 JKGE COc1cc(C)c(-c2csc(C(C#N)=C(O)COc3cc(Cl)ccc3Cl)n2)cc1C(C)C 2331356155 VJIGPXUVHOGZJQ-UHFFFAOYSA-N 489.424 7.429 50 10 JKGE COc1cc(C=C(C#N)c2nc(-c3ccc(C)cc3C)cs2)cc(Br)c1OC(C)C 2331443295 IYLOTNDMBDWELH-UHFFFAOYSA-N 483.431 7.049 50 10 JKGE Cc1ccc(C(C)(C)C)cc1-c1csc(C(C#N)=Cc2ccc(OCc3ccc(Cl)cc3)cc2)n1 2331478250 BEPKHWCZTIUPPF-UHFFFAOYSA-N 499.079 8.713 50 10 JKGE CC1(C)[C@H]2CC[C@@H](C2)[C@H]1[C@H](Br)c1cc(Br)ccc1OCc1ccccc1 2336076596 AJGLNBPBHIGIPE-KLDKWKSESA-N 478.268 7.536 50 10 JKGE Fc1c(Br)cc(Cl)c([C@H](Br)[C@H]2C[C@H]3CC[C@H]2O3)c1Br 2337081293 UTKRFRJDYFTBRY-HLJYALQUSA-N 477.393 6.008 50 10 JKGE C=CC[C@@]1(CBr)CCCN1Cc1ccc(Cl)c(I)c1 2337221590 QRELYSRVVJFVMU-HNNXBMFYSA-N 454.577 5.250 50 10 JKGE CCOCc1cc(Br)c([C@@H](Br)c2c(Br)ncn2C)s1 2337273630 CEKUINOAFCJLEM-VIFPVBQESA-N 473.028 5.027 50 10 JKGE Cc1cc(Br)c(F)c(Br)c1[C@@H](Br)[C@]12C[C@](C)(CO1)C2 2339658581 JRZILTXSDMSRRN-MCIONIFRSA-N 456.975 5.664 50 10 JKGE Cc1cc(Br)c(F)c(Br)c1[C@H](Br)[C@@H]1[C@H]2CCOC[C@@H]21 2339682123 OWZUTCTULKALSY-MMSPYSMKSA-N 456.975 5.378 50 10 JKGE Fc1ccc([C@H](CBr)Cc2ccc(Cl)cc2I)cc1 2341026689 COLPGFVYHQLXTB-LBPRGKRZSA-N 453.520 5.805 50 10 JKGE CC(C)(C)Oc1ccc([C@H](Br)[C@H]2C[C@@H](Br)C2)cc1Br 2353076639 PNTFZVGDMYZBPG-WDMOLILDSA-N 455.028 6.236 50 10 JKGE Cc1c(Br)ccc([C@@H](Br)[C@@H]2OCC[C@H]2C(F)(F)F)c1Br 2358939841 CLDWEVJYOUAOBL-GGZOMVNGSA-N 480.944 5.923 50 10 JKGE Fc1c(Br)cc(Cl)c([C@H](Br)C2C[C@H]3CC[C@H](C2)C3)c1Br 2362252531 FPVHADDHEIFJRL-UVPNAGLESA-N 489.448 7.266 50 10 JKGE C[C@@H]1CC[C@H](C(C)(C)Cc2ccc(Cl)c(I)c2)[C@@H](Br)C1 2362431314 FLFBFQYDVWJTKQ-XBFCOCLRSA-N 469.632 6.713 50 10 JKGE COc1c(C)cc([C@@H](Br)c2c(Cl)sc(Br)c2Cl)cc1Cl 2362873952 XBFLVMWORVFVPY-SECBINFHSA-N 479.448 7.272 50 10 JKGE CC[C@]1([C@H](Br)c2c(C)cc(Br)c(OC)c2Br)CC1(F)F 2365190944 JUYCKJMHDDLUNK-CHWSQXEVSA-N 476.981 6.400 50 10 JKGE Cc1cc(Br)c(F)c(Br)c1[C@@H](Br)[C@@H]1CO[C@]2(C)C[C@H]1C2 2365227121 BTMQAALSZOLYBN-VGKCBKCPSA-N 471.002 5.910 50 10 JKGE COc1ccc(NC(=O)/C(C#N)=C/c2cn(CCOc3cc(C)ccc3C)c3ccccc23)cc1 781533 IKHSWMAHXQCXTF-OQKWZONESA-N 465.553 5.891 50 10 JKGE O=C(N/N=C/c1cc(Br)ccc1OCc1cccc(F)c1)c1c[nH]c2ccccc12 20533799 SWVIFDPSWWLCQI-KKMKTNMSSA-N 466.310 5.412 50 10 JKGE Cc1cc(/C=C(/C#N)C(=O)Nc2ccccc2Br)c(C)n1-c1ccc(Cl)c(Cl)c1 33620889 JTXZTBCWSDSDMA-YBEGLDIGSA-N 489.200 6.709 50 10 JKGE Cc1ccc(-c2csc(/C(C#N)=C\c3cn(-c4ccccc4)nc3-c3ccc(Cl)cc3)n2)cc1 35516219 WEKWCTXMXLXKHH-JCMHNJIXSA-N 479.008 7.689 50 10 JKGE N#CC1=C(N)Oc2cc(OC(=O)c3ccc(Br)cc3)ccc2[C@@H]1c1ccc(Cl)cc1 38651298 JMKWRDGOYPCCGW-NRFANRHFSA-N 481.733 5.540 50 10 JKGE C[C@@H](Oc1ccccc1F)C(=O)Oc1ccc2c(c1)OC(N)=C(C#N)[C@@H]2c1c(F)cccc1Cl 38680423 BFNUHGNNUKOOTC-MCMMXHMISA-N 482.870 5.209 50 10 JKGE CCCCOc1cccc(C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@H]3c2ccccc2OCCC)c1 38681745 SWVPUUNOUQPYLO-NDEPHWFRSA-N 498.579 6.092 50 10 JKGE CCCCOc1cccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4ccc(OCCC)cc4)ccc32)c1 38685154 PDNLLUVBJBTRKX-MUUNZHRXSA-N 498.579 6.092 50 10 JKGE CC(C)c1ccc(Nc2ncnc(NNC(=O)C(c3ccccc3)c3ccccc3)c2N)cc1 40706242 KGKWBUXOXYEIPC-UHFFFAOYSA-N 452.562 5.201 50 10 JKGE CCOc1cc(/C=N/NC(=O)[C@H](C)Oc2ccc(-c3ccccc3)cc2)cc(Br)c1O 40959709 QNJZZXIUJCOTCE-WBILBPDKSA-N 483.362 5.138 50 10 JKGE Cc1cc(C)c(N/C=C(/C#N)c2nc(-c3cc4cc([N+](=O)[O-])ccc4oc3=O)cs2)c(C)c1 100114148 UVLJVSHQVBCGOB-BOPFTXTBSA-N 458.499 5.727 50 10 JKGE N#C/C(=C/c1ccc(-c2ccc([N+](=O)[O-])cc2Cl)o1)c1nc(-c2ccc(F)cc2)cs1 102958623 FZNPKCRFWROEMM-ZROIWOOFSA-N 451.866 6.835 50 10 JKGE CCCCN(CC(=O)N1c2ccccc2-n2cccc2[C@H]1c1ccc(F)cc1)C(=O)C(Cl)Cl 103064377 MUTIOROWZNQYQD-HSZRJFAPSA-N 488.390 5.485 50 10 JKGE CC[C@@H](c1ccccc1)[C@@H](Br)c1cc(Br)sc1Br 104034743 IOUJEFPPFROINH-GXFFZTMASA-N 453.037 6.903 50 10 JKGE Cc1c(C(=O)NNC(=O)c2oc3ccccc3c2CSc2cccs2)oc2ccccc12 109280138 FOLRJFGVXQBLJZ-UHFFFAOYSA-N 462.552 5.916 50 10 JKGE Cl[C@@H](c1ccc(I)cc1)c1cc2c(cc1Br)OCCCO2 109821366 WZECLWBIYHODNE-INIZCTEOSA-N 479.539 5.543 50 10 JKGE Cc1ccccc1C(CBr)(CBr)Cc1cc(Br)cs1 118671040 OJJDCKRXNHBEGR-UHFFFAOYSA-N 467.064 6.089 50 10 JKGE CN1Cc2cc([C@H](Br)c3cc(Br)c(Br)s3)ccc2NC1=O 123262913 IDNRJLLPFSIGJQ-LBPRGKRZSA-N 495.034 5.735 50 10 JKGE Fc1ccc(Br)cc1[C@@H](Br)c1cc(Cl)c(Br)s1 127574510 KHBADHWZXNMRSN-SNVBAGLBSA-N 463.391 6.550 50 10 JKGE Cc1cc(Br)c([C@@H](Cl)c2ccc(Br)cc2F)cc1Br 128650489 CQCJJZAJTUMLFE-AWEZNQCLSA-N 471.389 6.750 50 10 JKGE CCCCCCCC[C@H](Br)c1cc(Br)c(C)cc1Br 128772785 YWQIEFJCKMWHFC-AWEZNQCLSA-N 455.072 7.707 50 10 JKGE N#C/C(=C/c1ccc(OCCCc2ccccc2)cc1)c1nc(-c2ccc(Cl)cc2)cs1 169939405 LSSLELNIRBKLLS-QJOMJCCJSA-N 456.998 7.539 50 10 JKGE N#C/C(=C\c1ccc(OC(=O)/C=C\c2ccccc2)cc1)c1nc(-c2ccc3ccccc3c2)cs1 210604470 DXIFLRJHZQCULS-PLGIXSHASA-N 484.580 7.646 50 10 JKGE Cc1cc(Br)ccc1N/C=C(/C#N)C(=O)Nc1ccc(Cl)c(C(F)(F)F)c1 217250554 MZDNRHMEHYTISD-LUAWRHEFSA-N 458.665 5.888 50 10 JKGE CCOc1ccc([C@@H](Br)c2cc(Cl)cc(Br)c2)cc1Br 233818763 XFBNPPGDCDRPJX-OAHLLOKOSA-N 483.425 6.748 50 10 JKGE COc1ccc(Cl)cc1[C@@H](Br)c1cccc(C)c1I 234860283 QPTSZAVBVFRTEY-AWEZNQCLSA-N 451.529 5.746 50 10 JKGE COc1cc(F)c([C@H](Br)c2cc(Br)sc2Br)cc1OC 235001530 LSIVLKXCUCOMEO-LBPRGKRZSA-N 488.998 5.914 50 10 JKGE Cc1cc(C)c(C)c([C@@H](Br)c2cc(Br)sc2Br)c1C 235818575 GNHPLUPUFHDATG-AWEZNQCLSA-N 467.064 6.991 50 10 JKGE Clc1ccc(I)c([C@H](Cl)Cc2ccc(Br)cc2)c1 236027881 GSUNJCMSXBNJBC-CYBMUJFWSA-N 455.948 6.230 50 10 JKGE Fc1cc(Cl)c([C@H](Br)c2cc(Cl)ccc2I)cc1F 236214075 HSIWIRKIUHIQMS-ZDUSSCGKSA-N 477.901 6.361 50 10 JKGE CCCC(=NNC(=O)c1cc(-c2ccc(OC)cc2OC)nc2ccccc12)c1ccc(C)s1 252643562 ZWBZIUYCOZZRGL-UHFFFAOYSA-N 473.598 6.223 50 10 JKGE O=C(NN=Cc1ccc(C(F)(F)F)cc1)c1ccc(CSc2nc3ccccc3s2)cc1 254599983 AKPRNRMKFFABLR-UHFFFAOYSA-N 471.529 6.371 50 10 JKGE CC(=NNC(=O)CSc1nnc(-c2ccc(C(C)(C)C)cc2)n1-c1ccccc1)c1ccncc1 254696672 YHSHCEISHIQWQK-UHFFFAOYSA-N 484.629 5.259 50 10 JKGE CC(C)(C)c1cc(C=NNC(=O)c2cc(-c3cccc([N+](=O)[O-])c3)n[nH]2)cc(C(C)(C)C)c1O 254904493 NZRBDSHOTOKRTD-UHFFFAOYSA-N 463.538 5.049 50 10 JKGE Fc1ccccc1C(CBr)(CBr)Cc1coc(Br)c1 380934927 WJMVODFPSWTJTM-UHFFFAOYSA-N 454.959 5.452 50 10 JKGE O=C(OCc1ccccc1)N1C[C@H](CBr)[C@H](c2ccc(Br)cc2Cl)C1 382725698 QBHNIGXJPJOAGX-WMLDXEAASA-N 487.619 5.850 50 10 JKGE Brc1cc([C@H](Br)c2cccc3ccsc23)c(Br)s1 386487147 XWQGQPUPMGSUGN-LLVKDONJSA-N 467.045 6.972 50 10 JKGE Fc1cc(Br)c([C@@H](Br)c2cc(Cl)sc2Cl)c(F)c1F 398803304 UPCAZGQYFZQUQI-QMMMGPOBSA-N 454.920 6.719 50 10 JKGE CCCCCCCCCCCCC/C=C/[C@H](O[Si](C)(C)C(C)(C)C)[C@@H](CO)NC(=O)CCC 504049172 HNPHXQSPYSMZTR-QOERCLSJSA-N 483.854 7.911 50 10 JKGE CC(C)(C)[Si](C)(C)OCCc1ccc([C@H]2CCOCCN2S(=O)(=O)c2ccccc2)cc1 616597613 DLQGIAQVSQXNKY-XMMPIXPASA-N 475.727 5.403 50 10 JKGE CC(C)(CBr)CCCNC(=O)c1scc(Br)c1Br 705439343 OXBFCEIMUXGTTC-UHFFFAOYSA-N 462.045 5.204 50 10 JKGE BrCc1cc(Br)ccc1N1C[C@H]2C[C@@H](CN(Cc3ccccc3)C2)C1 719373985 QHZLTRYJDYNSBL-ROUUACIJSA-N 464.245 5.302 50 10 JKGE CN(c1ccccc1)c1ccc(C=NNC(=O)COc2ccc(C(C)(C)CC(C)(C)C)cc2)cc1 1084497404 MMQMHFQKIVOGNS-UHFFFAOYSA-N 471.645 6.697 50 10 JKGE CCOc1cc(C=NNC(=O)c2cc3ccccc3o2)cc(Cl)c1OCc1ccc([N+](=O)[O-])cc1 1084568887 XWGCONAWNSNLHH-UHFFFAOYSA-N 493.903 5.736 50 10 JKGE O=P(c1ccccc1)(c1ccccc1)[C@@H](Nc1cccc(C(F)(F)F)c1)c1cccnc1 1088693458 AVPDLPMBHBXAIE-XMMPIXPASA-N 452.416 6.225 50 10 JKGE O=C(OCc1ccccc1)N1C[C@@H](CBr)[C@H](c2ccc(Br)c([N+](=O)[O-])c2)C1 1614619195 AHKBKXYKUZUVFP-CVEARBPZSA-N 498.171 5.104 50 10 JKGE CCN(CC)c1ccc([C@H]2CN(C(=O)OCc3ccccc3)C[C@@H]2CI)cc1 1614704800 XDCMJHXIPCNOMJ-RBBKRZOGSA-N 492.401 5.320 50 10 JKGE Cc1occc1C(=O)NN=C1CCCc2oc(C(=O)Nc3cccc(C(F)(F)F)c3)c(C)c21 1772750011 VKLDQDPHJBYHMF-UHFFFAOYSA-N 459.424 5.231 50 10 JKGE CC(C)(C)c1ccc([C@@H]2C(C#N)=C(N)Oc3c2c(C(F)(F)F)nn3-c2ccccc2Cl)cc1 1865682090 FTJLMBAJHXYLTR-GOSISDBHSA-N 472.898 6.060 50 10 JKGE COc1ccc(-n2nc(-c3ccccc3)c3c2OC(N)=C(C#N)[C@@H]3c2cccc3ccccc23)cc1 1865682343 MMDVWIVJXOMDFB-SANMLTNESA-N 470.532 5.919 50 10 JKGE N#CC1=C(N)Oc2c(c(C(F)(F)F)nn2-c2ccc(Cl)cc2)[C@@H]1c1ccc(Cl)cc1 1865683895 PRWHJKZQHITYGS-OAHLLOKOSA-N 451.235 5.416 50 10 JKGE CCCc1nn(-c2cccc3ccccc23)c2c1[C@@H](c1cc(OC)c(OC)c(OC)c1)C(C#N)=C(N)O2 1865693154 RYBDQNNCFXRGAH-VWLOTQADSA-N 496.567 5.222 50 10 JKGE Cn1cc([C@H]2C(C#N)=C(N)Oc3c2c(C(F)(F)F)nn3Cc2ccc(Cl)cc2)c2ccccc21 1865699125 LMFJCKGVKVIUHN-LJQANCHMSA-N 483.881 5.313 50 10 JKGE Cc1ccc(-c2csc(/C(C#N)=C(\O)[C@@H](C)Oc3ccc(Cl)cc3Br)n2)cc1 1872749259 IUUSYJDLPVNFCD-SFKFPXOQSA-N 475.795 6.795 50 10 JKGE CCCOc1ccc(-c2csc(/C(C#N)=C(\O)CCCCCNC(=O)c3ccccc3)n2)cc1 1872749699 DAJYAVYEZJFCDJ-BZZOAKBMSA-N 475.614 6.382 50 10 JKGE CCCCCCCOc1ccc(-c2csc(/C(C#N)=C(\O)[C@H]3CC(=O)N(C(C)(C)C)C3)n2)cc1 1872753309 QNVHYRCNTFIQLC-RCBZZLCRSA-N 481.662 6.599 50 10 JKGE CCOc1ccc(OCC)c(-c2csc(/C(C#N)=C(O)/C=C/c3ccc(OCC)c(OC)c3)n2)c1 1872755061 WLCWIEABFUPWMU-ARDXNMSASA-N 492.597 6.521 50 10 JKGE COc1cc(OC)c(-c2csc(/C(C#N)=C(O)/C=C\c3ccc4c(c3)OCCO4)n2)cc1Cl 1872756680 VJCXCTFTOGFSAW-UNSVBVQDSA-N 482.945 5.758 50 10 JKGE CCc1ccc(OCCC/C(O)=C(\C#N)c2nc(-c3ccc(OC)c(OC)c3OC)cs2)cc1 1872759513 QZEOEHHBEGZVTK-XDOYNYLZSA-N 480.586 6.050 50 10 JKGE COc1cc(OC)c(OC)cc1/C=C(\C#N)c1nc(-c2cc(C)c(Cl)cc2OC)cs1 1872794133 LNFVJOJUGNZUAY-VIZOYTHASA-N 456.951 5.871 50 10 JKGE CC(C)(C)OC(=O)N[C@H](CBr)[C@@H]1CC[C@H]2CCCN(C(=O)OC(C)(C)C)[C@H]2C1 1885098108 WJEMGHGRMQTLCV-VQHPVUNQSA-N 461.441 5.090 50 10 JKGE CC[C@H](Br)CN(Cc1ccccc1)c1ccc(S(=O)(=O)C(F)(F)F)cc1 1915081724 HROBHMPHTONWQH-HNNXBMFYSA-N 450.320 5.160 50 10 JKGE O=C(c1c(Br)cccc1Br)N(Cc1ccccc1)C1(CCl)CCC1 1915756647 ZPIJYXXYUMMKNE-UHFFFAOYSA-N 471.620 6.016 50 10 JKGE CC1(C)[C@H]2CC[C@@H](C2)[C@@H]1[C@H](Br)c1sc(Br)cc1Br 1922882435 GUJOEEGKFAIRQP-MMSPYSMKSA-N 457.069 6.781 50 10 JKGE FC(F)(F)c1cccc(Cl)c1[C@H](Cl)c1sc(Br)cc1Br 1922889804 YMNAQEJAIUZIQE-JTQLQIEISA-N 468.947 7.274 50 10 JKGE Cc1c(Br)sc([C@@H](Br)[C@H]2Cc3ccccc3O2)c1Br 1922899688 DSAUKMYTBIQDBU-PWSUYJOCSA-N 467.020 6.021 50 10 JKGE Cc1c(Br)sc([C@@H](Br)c2csc(C(F)(F)F)c2)c1Br 1922921385 QDYAJASCKIAAHT-QMMMGPOBSA-N 499.009 7.146 50 10 JKGE Clc1c(Br)sc(Br)c1[C@H](Br)C1CCCCCCC1 1923039908 RLGZAQBAPLVQLS-SNVBAGLBSA-N 479.503 7.723 50 10 JKGE Clc1c(Br)sc(Br)c1[C@@H](Br)C[C@H]1CC[C@@H]2C[C@H]12 1923066897 WKEXTZZUCQLLHD-NGJRWZKOSA-N 463.460 6.799 50 10 JKGE Clc1ccccc1[C@H](Cl)c1c(Br)sc(Br)c1Br 1924583849 PQYIEWFFEYDHKU-VIFPVBQESA-N 479.846 7.017 50 10 JKGE Cc1ccc([C@H](Cl)c2c(Br)sc(Br)c2Br)cc1C 1924586256 VRZLBVNDITWKKY-NSHDSACASA-N 473.455 6.981 50 10 JKGE CCOc1ccc(Br)cc1[C@@H](Br)c1csnc1Br 1925247995 NKNXCBGSGJSBTH-LLVKDONJSA-N 455.997 5.551 50 10 JKGE CC[C@@H](Br)CN(Cc1ccccc1)C(=O)c1c(Br)sc(C)c1C 1939962564 OBOVVHYIGFBGOR-OAHLLOKOSA-N 459.247 5.943 50 10 JKGE COc1cscc1[C@@H](Br)c1sc(Br)c(C)c1Br 1950315114 LGDGFZBVTZZQMK-SECBINFHSA-N 461.038 6.136 50 10 JKGE CC(C)(C)OC(=O)NC[C@@H]1CCCC2(CCC2)[C@@H]1[C@H](CBr)NC(=O)OC(C)(C)C 1975071326 LSBQLPGKFDMQGG-ULQDDVLXSA-N 475.468 5.386 50 10 JKGE CC(C)(C)OC(=O)N[C@@H](CBr)[C@@H]1CN(Cc2ccccc2)C2(CCCCCC2)C1 1975074747 XOTXUASZZFODID-SFTDATJTSA-N 465.476 5.890 50 10 JKGE C[C@H]([C@H](Br)c1c(Br)sc(Br)c1Cl)C(F)(F)F 1984587089 WBTVOSNQJHGDSK-FONMRSAGSA-N 465.354 6.561 50 10 JKGE Cl[C@H](c1c(Br)sc(Br)c1Br)C12CC(CO1)C2 1989834523 SZJAVTRMMFVFDJ-POUYQYJTSA-N 451.405 5.495 50 10 JKGE CC1(C)CO[C@H]([C@@H](Cl)c2c(Br)sc(Br)c2Br)C1 2001533161 KNDGPUSUVQDGBF-YLWLKBPMSA-N 467.448 6.131 50 10 JKGE Brc1ccc([C@@H](Br)c2cc(C3CC3)c(Br)s2)cc1 2033643612 SYOQZKUANOYKNW-CYBMUJFWSA-N 451.021 6.635 50 10 JKGE CCN(CC)c1ccc(C=C2CCC(C=C(C#N)c3nc4ccccc4[nH]3)=C2N2CCOCC2)cc1 2040465675 BCBWLIFFWGSDQY-UHFFFAOYSA-N 479.628 5.780 50 10 JKGE FC(F)(C1CCCCC1)[C@H](Br)c1sc(Br)cc1Br 2065542186 VQXKPKLFADZONJ-LLVKDONJSA-N 467.011 6.925 50 10 JKGE CCc1nn(C)c([C@H](Cl)c2cc(Br)sc2Br)c1Br 2072301957 DVNYCKVGFYEOFR-SECBINFHSA-N 477.447 5.660 50 10 JKGE Cc1c(Br)ccc([C@H](Cl)c2ccc(OCc3ccccc3)cc2)c1Br 2083329350 CHTMEZUGNFCHMV-OAQYLSRUSA-N 480.627 7.427 50 10 JKGE Clc1ccc([C@H](CBr)Cc2ccc(Br)cc2Br)cc1 2092261779 UCTOCBLDGITGJR-LBPRGKRZSA-N 467.426 6.586 50 10 JKGE BrC[C@H]1CCC2(CC2)CN1Cc1c(Br)cccc1Br 2097884646 HFCWRGXBKXYTJD-LLVKDONJSA-N 452.028 5.351 50 10 JKGE CCOc1ccc([C@@H](Br)c2cc(C)sc2Br)c(Br)c1 2101015114 SPYBBFQSIJXWNK-CYBMUJFWSA-N 469.036 6.465 50 10 JKGE CN(c1cc(Br)cc(F)c1CBr)[C@H]1CN(Cc2ccccc2)C(C)(C)C1 2114267454 IMBWMRAYNFNNAS-QGZVFWFLSA-N 484.251 5.972 50 10 JKGE Clc1c(Br)sc(Br)c1[C@@H](Br)[C@H]1C[C@H]2COC[C@H](C2)C1 2141800659 OHBLVLFSDFNGBE-ODHVRURNSA-N 493.486 6.425 50 10 JKGE BrCc1ccc(N2CCC[C@]3(CN(Cc4ccccc4)CCO3)C2)c(Br)c1 2151741203 VLWJYPMDJXGBED-QFIPXVFZSA-N 494.271 5.215 50 10 JKGE COc1ccc(C[C@@H](Br)c2c(Br)cccc2Br)cc1F 2168407511 BSWNNLBQMHSEDX-GFCCVEGCSA-N 466.970 6.038 50 10 JKGE Cc1cc(Br)c([C@H](Br)C23CCC(C)(CC2)OC3)cc1Br 2190080978 SEMZSOFTUASKLU-FHERZECASA-N 467.039 6.305 50 10 JKGE COc1cc(F)c(Cl)cc1[C@@H](Br)c1cccc(F)c1I 2207358955 CCWNNCJVRGBEFJ-ZDUSSCGKSA-N 473.482 5.716 50 10 JKGE Clc1cc(Br)ccc1C[C@@H](Br)c1nscc1Br 2215854965 XBPBFEXTQHSYPA-MRVPVSSYSA-N 460.416 6.000 50 10 JKGE CCN(C(=O)c1csc(Br)c1Br)[C@@H]1CCC[C@H]1Br 2217698631 XHTWEURQOGXMLT-RKDXNWHRSA-N 460.029 5.051 50 10 JKGE Cc1c(Br)sc([C@H](Cl)c2cc(Cl)ccc2I)c1C 2218786921 DRPLOWYDOFKPNH-LLVKDONJSA-N 476.004 6.714 50 10 JKGE Brc1scnc1[C@@H](Br)c1ccc2c(c1Br)CCO2 2222199093 UFAMSPYCFGOSMT-JTQLQIEISA-N 453.981 5.087 50 10 JKGE CC[C@H](CC(C)C)[C@@H](Br)c1c(Br)cc(Cl)c(Cl)c1Cl 2224313993 WMELMAFZTQGIIR-PRHODGIISA-N 451.457 7.918 50 10 JKGE Cc1cccc([C@H](Br)c2cc(Br)c(Br)cc2F)c1F 2225616014 MMOQJZQFSTYROH-ZDUSSCGKSA-N 454.934 6.283 50 10 JKGE C[C@@H]1C[C@@H]2C[C@@H]2C[C@H]1[C@@H](Br)c1cc(Br)c(Br)cc1F 2225634060 MYHDYBVWPCQHND-OHNSYANISA-N 455.003 6.469 50 10 JKGE COc1cc(Cl)c([C@@H](Br)c2cc(Br)c(C)s2)cc1Br 2226090081 VBFXEKZYEWDSRW-CYBMUJFWSA-N 489.454 6.728 50 10 JKGE Cc1cc(Br)c([C@@H](Br)C[C@H](C)C(C)(C)C)c(C)c1Br 2227350380 WQVOMTSVZAUBMB-GWCFXTLKSA-N 455.072 7.337 50 10 JKGE CCn1cc(Br)c([C@@H](Cl)c2c(Br)cc(Cl)c(Cl)c2Cl)n1 2232509411 JGTBOHDODNSOJS-NSHDSACASA-N 481.830 6.716 50 10 JKGE Cc1c([C@H](Cl)c2c(Br)cc(Cl)c(Cl)c2Cl)c(Br)nn1C 2232517912 XOKUFJDBPFFUKG-JTQLQIEISA-N 481.830 6.542 50 10 JKGE Cc1cc(Br)c([C@@H](Br)c2c(C)nn(C)c2Br)c(C)c1Cl 2232528248 RNAMGEUIOXPFIE-GFCCVEGCSA-N 485.445 6.008 50 10 JKGE CCCC1CCC([C@@H](Br)c2cc(Br)c(Br)cc2F)CC1 2233977000 RXVPHNXUXGTIQV-CLIRUNRCSA-N 471.046 7.393 50 10 JKGE BrCc1cc(Br)cc(Br)c1OCCCCCCC1CC1 2234165613 FARWQBVJJATAFD-UHFFFAOYSA-N 469.055 6.846 50 10 JKGE COc1cc(C)c([C@H](Br)c2sc(C)c(Br)c2C)cc1Br 2234464811 QYGXEFJSUJUWCR-AWEZNQCLSA-N 483.063 6.691 50 10 JKGE Cc1c(Br)ccc([C@H](Br)c2c(F)ccc(Cl)c2F)c1Br 2234925357 HTPCRJUQFFNBKB-ZDUSSCGKSA-N 489.379 6.936 50 10 JKGE Cc1sc([C@@H](Br)c2cccc(F)c2Br)c(Br)c1C 2253506004 UVLZTAJSUMNVQO-LBPRGKRZSA-N 457.000 6.513 50 10 JKGE CC(C)(C)OC(=O)N1CCC(CBr)(OCc2ccc(Br)cc2F)CC1 2255268099 HTICLTJDLNJXPV-UHFFFAOYSA-N 481.200 5.269 50 10 JKGE CCCCc1ccc([C@@H](Br)c2cc(Br)ccc2Br)s1 2264368297 HLGWSVCPKWINBF-HNNXBMFYSA-N 467.064 7.100 50 10 JKGE Cc1cc(Br)c([C@@H](Br)c2cc(Br)sc2C)c(C)c1F 2264464441 UVEGEAQDHWLSFW-ZDUSSCGKSA-N 471.027 6.822 50 10 JKGE CCc1cc(Br)c([C@@H](Br)c2cc(Br)c(F)cc2Cl)s1 2270435011 SJIXKUFCKRITGT-LBPRGKRZSA-N 491.445 7.112 50 10 JKGE C[C@H]1CC[C@H]([C@H](Br)c2c(F)cc(Br)c(F)c2Br)CC1 2272726312 MFXNJRVGVHQQSI-UBJUHAIHSA-N 460.982 6.752 50 10 JKGE Fc1cc(Br)c(F)c(Br)c1[C@H](Br)[C@@]12CCCC[C@@H]1C2 2272727762 VJGMTGAESSGQHQ-IYCUSSIYSA-N 458.966 6.506 50 10 JKGE Brc1cc(Br)cc(C[C@@H](Br)C2C[C@@H]3CC[C@H](C2)O3)c1 2277954735 YPEPCBKSXOIFCK-HXFGOILCSA-N 453.012 5.475 50 10 JKGE Cc1cc(Br)c([C@H](Cl)c2cccc(F)c2I)c(C)c1F 2279157332 QETCZIWRTLPTQS-CYBMUJFWSA-N 471.510 6.277 50 10 JKGE COc1ccc([C@H](Cl)c2sc(Br)cc2Br)c(Cl)c1OC 2283586966 NUSASZZJTPHNCI-NSHDSACASA-N 461.002 6.272 50 10 JKGE CN(C[C@@H](Br)COCc1ccccc1)c1cccc(C(F)(F)C(F)(F)F)n1 2286733980 DDYIKPRMVIWXFY-CQSZACIVSA-N 453.249 5.152 50 10 JKGE Cc1ccc(C[C@@H]2SC(=C(C#N)C(=O)Nc3ccccc3)N(c3ccc(C)cc3)C2=O)cc1 2293038991 RKDWDPHLCUUFOK-DEOSSOPVSA-N 453.567 5.368 50 10 JKGE COc1cccc(OCCOc2c(Cl)cc(Cl)cc2C=C(C#N)C(=O)Nc2cccc(C)c2)c1 2293420489 FGMXENBABKDMOA-UHFFFAOYSA-N 497.378 6.314 50 10 JKGE CCOc1cc(C=C(C#N)C(=O)Nc2ccc(C)cc2)ccc1OCc1ccc(Cl)c(Cl)c1 2294168349 GIBYQTPGQQETIT-UHFFFAOYSA-N 481.379 6.825 50 10 JKGE Cc1ccc(-c2ccc(C=C(C#N)C(=O)NCCc3c[nH]c4ccccc34)o2)c(Br)c1 2294171865 FDEBCOAIYJKHCM-UHFFFAOYSA-N 474.358 5.765 50 10 JKGE COc1ccc2nc(C(C#N)=Cc3cc(Br)ccc3OCc3ccccc3)[nH]c2c1 2294284617 MJERHOVRXCXGGI-UHFFFAOYSA-N 460.331 5.977 50 10 JKGE COc1c(Br)cc(Cl)c(C)c1[C@H](Br)c1cc(C)c(Cl)s1 2295267453 MPKMRAGXEKYWAQ-GFCCVEGCSA-N 459.030 6.927 50 10 JKGE CCc1cccc(C)c1NC(SCc1ccc(C)cc1C)=C(C#N)S(=O)(=O)c1ccccc1 2297349954 GJWALYINMJEPBL-UHFFFAOYSA-N 476.667 6.686 50 10 JKGE CS(=O)(=O)C1([C@H](Br)c2cc(Br)ccc2OCc2ccccc2)CC1 2299506762 CARJKWGIJOMNLR-QGZVFWFLSA-N 474.214 5.041 50 10 JKGE Clc1cc(I)c([C@H](Cl)Cc2cccc(Br)c2)s1 2301084451 TWFDGHHJOWHBQT-SECBINFHSA-N 461.977 6.291 50 10 JKGE CCOc1cc(C=C(C#N)C(=O)NCCc2c[nH]c3ccccc23)c(Br)cc1OC(C)C 2313556238 RWQHMIZREIBQAD-UHFFFAOYSA-N 496.405 5.382 50 10 JKGE CCOc1cc(C=C(C#N)C(=O)N2CCN(c3ccccc3)CC2)ccc1OCc1ccc(C)cc1 2313568199 SYRFRYUYLTUXAZ-UHFFFAOYSA-N 481.596 5.229 50 10 JKGE CCOc1cc(C=C(C#N)C(=O)Nc2ccc(Cl)cc2)ccc1OC(=O)c1ccc(C)cc1 2313631630 SZWFZLJLBDIHAI-UHFFFAOYSA-N 460.917 5.812 50 10 JKGE CCCOc1c(Br)cc(C=C(C#N)C(=O)Nc2cccc(C(F)(F)F)c2)cc1OC 2313730223 HLYXJTZEOCILCC-UHFFFAOYSA-N 483.284 5.811 50 10 JKGE FC1(F)[C@@H]([C@@H](Br)c2ccc(OCc3ccccc3)cc2Br)C12CCC2 2314454869 JSYUXCYHROAKPA-ROUUACIJSA-N 472.167 6.900 50 10 JKGE Cc1ccc(C[C@H]2SC(=C(C#N)C(=O)NCc3ccccc3)N(c3ccc(C(C)C)cc3)C2=O)cc1 2314592756 BDDIEWAIAKGZCH-HHHXNRCGSA-N 495.648 5.861 50 10 JKGE COc1cc(C=C(C#N)C(=O)NCc2ccco2)ccc1OC(=O)CCc1ccc(C(C)(C)C)cc1 2314790265 YIPUCDDTXFQBLI-UHFFFAOYSA-N 486.568 5.347 50 10 JKGE Cc1ccc([C@@H](Br)c2sc(Cl)cc2I)c(F)c1F 2316597676 VDGKUAWWJQTLQM-SECBINFHSA-N 463.512 6.077 50 10 JKGE Clc1cc(I)c([C@H](Br)c2ccccc2C2CC2)s1 2316607675 UHCFPPBRYKJCPZ-CYBMUJFWSA-N 453.570 6.368 50 10 JKGE COc1cc(C=C(C#N)c2ccccc2)ccc1OC(=O)CC(c1ccccc1)c1ccccc1 2318356257 HJCUWSDUDKBJBV-UHFFFAOYSA-N 459.545 6.887 50 10 JKGE CC(=NNC(=O)c1ccc(-c2ccc(Cl)cc2Cl)nc1C)c1ccc2c(c1)CCCC2 2321275980 VOSHZSCZAZHBTG-UHFFFAOYSA-N 452.385 6.397 50 10 JKGE N#CC(=C(O)c1ccc(N2CCCC2)c([N+](=O)[O-])c1)c1nc(-c2ccc3ccccc3c2)cs1 2331238879 AVFVNPWZXNCANK-UHFFFAOYSA-N 468.538 6.422 50 10 JKGE COc1ccc(C=CC(O)=C(C#N)c2nc(-c3ccc(OC)c(OC)c3)cs2)cc1OC 2331242352 RJZQLLGDJPVLQQ-UHFFFAOYSA-N 450.516 5.351 50 10 JKGE N#CC(=C(O)c1cccc(N2COc3ccc4ccccc4c3C2)c1)c1nc(-c2ccccc2)cs1 2331300982 IATHDBJZLVAPMH-UHFFFAOYSA-N 487.584 7.270 50 10 JKGE CCCOc1ccc(-c2csc(C(C#N)=C(O)c3cc(OC)c(OC)c(OC)c3)n2)cc1 2331315931 JTDCFFQNPKOOPD-UHFFFAOYSA-N 452.532 5.575 50 10 JKGE Cc1ccc(C)c(-c2csc(C(C#N)=C(O)CN3C(=O)COc4ccc(Cl)cc43)n2)c1 2331320236 MPCDLFZWWSBGQS-UHFFFAOYSA-N 451.935 5.299 50 10 JKGE COc1ccc(C)cc1-c1csc(C(C#N)=C(O)c2ccc3c(c2)C(=O)N(C(C)C)C3=O)n1 2331322961 NWSRUKZZFYVCDR-UHFFFAOYSA-N 459.527 5.081 50 10 JKGE CCCc1ccc(OCC(O)=C(C#N)c2nc(-c3cc(C(C)(C)C)ccc3OC)cs2)cc1 2331350746 QPZDPUCAJVKMRG-UHFFFAOYSA-N 462.615 6.940 50 10 JKGE Cc1ccc(-c2csc(C(C#N)=Cc3c(OCc4ccccc4)ccc4ccccc34)n2)c(C)c1 2331443302 JZTCULIJCGVRES-UHFFFAOYSA-N 472.613 8.223 50 10 JKGE Brc1ccc(OCc2ccccc2)c([C@H](Br)[C@H]2OC[C@@H]3CCCC[C@H]23)c1 2336076318 XPYWRQOLBOLGQE-DBXVSBKESA-N 480.240 6.669 50 10 JKGE Fc1c(Br)cc(Cl)c([C@H](Br)[C@H]2C[C@H]2C(F)(F)F)c1Br 2337084088 HHDVBNGEDLMMTN-JJXKXHSHSA-N 489.326 6.639 50 10 JKGE CCC1(CC)[C@@H](OCc2cc(Br)cc(Br)c2)C[C@H]1Br 2337109267 NZYWNUSVZWRIIZ-KGLIPLIRSA-N 455.028 6.070 50 10 JKGE C[C@@H](Br)C[C@@H]1CCCCN1Cc1ccc(Cl)c(I)c1 2337221482 PMMXZLISSMRKHP-YPMHNXCESA-N 456.593 5.473 50 10 JKGE COc1c(Br)cc(C)c([C@@H](Br)CC2(OC)CC2)c1Br 2339689839 GAAHYDBUFSPGIB-JTQLQIEISA-N 457.000 5.534 50 10 JKGE Fc1cc(C[C@H](Br)c2ccc(Cl)cc2I)ccc1Cl 2340046616 VORSVDUQDPCDKB-NSHDSACASA-N 473.938 6.416 50 10 JKGE CN(Cc1c(Br)cccc1Br)C[C@@H](CBr)C1CCC1 2340607601 VSDQXHRJGAJYKH-GFCCVEGCSA-N 454.044 5.455 50 10 JKGE COC(C)(C)C1([C@H](Br)c2ccc(Br)c(C)c2Br)CC1 2343680543 RLRXPRAPLZZMHD-CYBMUJFWSA-N 455.028 6.161 50 10 JKGE C[C@H](c1ccncc1F)[C@@H](Br)c1cc(Br)ccc1Br 2344688535 DEYLYCVHOOQWSH-XLKFXECMSA-N 451.959 5.985 50 10 JKGE CCC[C@H]1CN(Cc2ccc(I)c(Br)c2)C[C@H]1CCl 2349832214 UQAXXPABGFXNRK-QWHCGFSZSA-N 456.593 5.141 50 10 JKGE Cc1cc(Br)c(C(C)C)cc1[C@H](Br)c1sccc1Br 2352792236 HVVALIKBURCDFS-AWEZNQCLSA-N 467.064 7.189 50 10 JKGE CC(C)(C)OC1CC(C[C@@H](Br)c2ccc(OCc3ccccc3)cc2Br)C1 2361172006 CHPIWBDTGMMGPZ-CNBHCMJISA-N 496.283 7.448 50 10 JKGE COc1cc(CBr)cc(Oc2cc(Cl)c(C)cc2I)n1 2364731604 LOUMZUXEWAAVLH-UHFFFAOYSA-N 468.516 5.344 50 10 JKGE Cc1cc(Br)c(F)c(Br)c1[C@@H](Br)C1(CC(F)F)CCC1 2365189282 SVMPKYMDWGYSBP-CYBMUJFWSA-N 478.972 6.921 50 10 JKGE Clc1cc(Cl)cc(CC[C@H](Cl)c2cc(Br)ccc2OCc2ccccc2)c1 2366797040 QAZQSNBMWYGHCU-NRFANRHFSA-N 484.648 8.248 50 10 JKGE FC12COC(CC(CBr)(CBr)c3cccc(Br)c3)(C1)C2 2381174917 PSNQJBQYIKDDEA-UHFFFAOYSA-N 471.002 5.138 50 10 JKGE CCCCCCOc1ccc(C(=O)NNC(=O)[C@H](C)Oc2ccc(-c3ccccc3)cc2)cc1 14038811 CSMUKWCTEJNTQF-NRFANRHFSA-N 460.574 5.541 50 10 JKGE COc1ccccc1/C(C#N)=C\c1cccc(OC(=O)/C=C/c2ccc(OCc3ccccc3)cc2)c1 31902740 YZIHCHQKVOYEBF-VKCKUEFDSA-N 487.555 6.957 50 10 JKGE Cc1c(Cl)cccc1N(C(=O)CCl)[C@H](C(=O)N[C@@H]1CCCC[C@H]1C)c1ccccc1Cl 33404646 UVAILIYOFRBEED-OFSQETHSSA-N 481.851 6.310 50 10 JKGE C[C@@H]1Oc2ccccc2C=C1/C=C(/C#N)c1nc(-c2ccccc2)c(NC(=O)c2ccco2)s1 34982898 PASZMPXXNYWERW-SZHLLGMXSA-N 465.534 6.427 50 10 JKGE CCc1ccc(O[C@H](C)C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@H]3c2ccc(C(C)C)cc2)cc1 38649641 ICDBDOARLQUDLE-GDJIYFAZSA-N 482.580 5.963 50 10 JKGE Cc1ccc(C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@@H]3c2ccc(Cl)cc2Cl)cc1 38655099 YJUXBINWHLVRCB-JOCHJYFZSA-N 451.309 5.739 50 10 JKGE Cc1ccc2c(C)c(C(=O)Oc3ccc4c(c3)OC(N)=C(C#N)[C@H]4c3ccc([N+](=O)[O-])cc3)oc2c1C 38688252 OOVSHUXOVZXJLA-DEOSSOPVSA-N 495.491 5.704 50 10 JKGE Cc1ccc2[nH]c(-c3ccc4ccccc4n3)c(CCCC(=O)NNC(=O)c3ccc(Cl)cc3)c2c1 39867308 YNFBWVMYBWGNND-UHFFFAOYSA-N 496.998 6.129 50 10 JKGE Cc1c(C(=O)Nc2ccncc2)oc2c1/C(=N/NC(=O)c1ccc(Cl)cc1Cl)CCC2 40813681 HMYPSUBQVWGLHH-WPWMEQJKSA-N 457.317 5.013 50 10 JKGE O=C(N/N=C/c1cn(-c2ccccc2)nc1-c1ccc(Br)cc1)C1CCCCC1 48572662 MXPKKFFWXNAPLV-MFKUBSTISA-N 451.368 5.332 50 10 JKGE C=CCc1cc(/C=N\NC(=O)CC[C@H](O)c2ccccc2)cc(OCC)c1OCc1ccc(C)cc1 58892241 DNPHLMXRJJACTE-NMBDKVOKSA-N 486.612 5.665 50 10 JKGE Cc1cccc(NC(=O)/C(C#N)=C\c2cc(Br)ccc2OCc2cccc(Cl)c2)c1 59133285 BVYMSUHHJTVXCH-UNOMPAQXSA-N 481.777 6.536 50 10 JKGE O=C(CSCc1ccccc1Cl)N/N=C1\C(=O)N(C/C=C/c2ccccc2)c2ccccc21 59156327 OHTSAJDDAKFRPV-DSCYBXCLSA-N 476.001 5.154 50 10 JKGE CCCCC1CCC(C(=O)N2CCCc3cc(C(=O)[C@H](Br)CCC)ccc32)CC1 71432571 PGIVQVYDPJOJCK-OBFZPWGMSA-N 462.472 6.709 50 10 JKGE CCc1ccc(N2C(=O)[C@H](Cc3ccc(C)cc3)S/C2=C(/C#N)C(=O)Nc2cccc(C)c2)cc1 101245375 GLRFDRLWOCCVAT-HFVAWESISA-N 481.621 5.931 50 10 JKGE COc1c(Br)cc(Cl)cc1[C@H](Br)c1cc(Cl)ccc1Cl 109836297 VCBUAPFOSVDSQW-CYBMUJFWSA-N 459.392 6.902 50 10 JKGE CCn1c(=O)oc2cc([C@H](Br)c3cc(Br)c(Br)s3)ccc21 128559296 UUVXHIDXOHMENG-LBPRGKRZSA-N 496.018 5.685 50 10 JKGE Cc1cc(Br)c([C@H](Br)c2ccc(F)c(F)c2)cc1Br 128775919 TUVOCWPMYRQDFK-CQSZACIVSA-N 454.934 6.283 50 10 JKGE O=c1[nH]c2cc(Br)c([C@H](Br)c3c(F)cccc3Br)cc2[nH]1 161209184 ZYVHSFCUMQJWQM-ZDUSSCGKSA-N 478.941 5.005 50 10 JKGE CCCCCOc1ccc(/C=N\NC(=O)c2nc(-c3ccccc3)sc2C)cc1OCC 169927217 ZTVJDXSLXPLNJW-ONUIUJJFSA-N 451.592 5.850 50 10 JKGE Cc1ccc2[nH]c(C3CCN(C(=O)NC[C@@]4(C)C[C@H](N=C=O)CC(C)(C)C4)CC3)c(C)c2c1 170290691 FVPTYAOXPBGGBH-ZBLYBZFDSA-N 450.627 5.595 50 10 JKGE CCCCCCOc1ccc(/C=N/NC(=O)COc2ccc(C(C)(C)CC(C)(C)C)cc2)cc1OC 206175316 MCAZQBAZIREQGE-AJBULDERSA-N 496.692 6.897 50 10 JKGE CCOc1ccc(Br)cc1[C@H](Cl)c1cc(Br)cc(Br)c1 233785326 PLOLIGAYGOLHPD-OAHLLOKOSA-N 483.425 6.701 50 10 JKGE COc1ccc(C[C@H](Br)c2cc(Cl)ccc2I)cc1 234929583 OJHKNQGJNFDIJW-AWEZNQCLSA-N 451.529 5.632 50 10 JKGE CC(=NNC(=O)c1cccc(Br)c1)c1ccc(NC(=O)c2ccccc2Cl)cc1 252594502 BSQSSXZOZCMZKI-UHFFFAOYSA-N 470.754 5.509 50 10 JKGE O=C(CCn1c(-c2ccccc2)c(-c2ccccc2)c2ccccc21)NN=Cc1cccc2ccccc12 254294404 ZPRILYDDSQJECF-UHFFFAOYSA-N 493.610 7.669 50 10 JKGE CCn1c2ccccc2c2cc(C=NNC(=O)c3cc(-c4ccc5c6c(cccc46)CC5)n[nH]3)ccc21 254376070 MTRPTHMPDFNSME-UHFFFAOYSA-N 483.575 6.220 50 10 JKGE CC(C)(C)c1ccc(-c2nnc(SCC(=O)NN=Cc3cccc(O)c3)n2-c2ccccc2)cc1 254799604 ZNEZNZJRCMGXQJ-UHFFFAOYSA-N 485.613 5.180 50 10 JKGE C[C@@H]1C[C@@H](O[C@]2(CI)CCCN(C(=O)OC(C)(C)C)C2)CC(C)(C)C1 310598123 VRQZUYHLTZWEDW-QINHECLXSA-N 465.416 5.423 50 10 JKGE Cc1cccc([C@H](Cl)c2scc(C(F)(F)F)c2Br)c1I 380519238 QZPBXBZGKCRBEX-JTQLQIEISA-N 495.529 6.771 50 10 JKGE C[C@@H](Cl)c1nc2cnccc2n1-c1ccc(I)cc1Br 383418116 BILRNGJAFYLKJU-MRVPVSSYSA-N 462.516 5.087 50 10 JKGE C[C@H](Cl)C[C@@H]1CCCCN1C(=O)c1cc(Br)ccc1I 383614382 SUQXEDYVFXCNDR-JQWIXIFHSA-N 470.576 5.066 50 10 JKGE Fc1cc(F)c(F)c([C@@H](Br)c2cc(Br)ccc2Br)c1F 396115727 XBFUDDLLNLOMRT-NSHDSACASA-N 476.887 6.252 50 10 JKGE Clc1cccc([C@@H](CBr)Cc2cc(Cl)ccc2I)c1 405513118 GIXBRNWKSLFIDF-GFCCVEGCSA-N 469.975 6.319 50 10 JKGE Cc1oc(Br)cc1[C@@H](Br)c1cc(Br)cc2c1OCCC2 688380738 DKFRZAXDHKIKGI-CQSZACIVSA-N 464.979 5.922 50 10 JKGE CCC(CC)([C@@H](Br)c1cc(Br)c(Br)s1)C(F)(F)F 700680588 PNYGUNRDURNKAU-QMMMGPOBSA-N 472.990 7.078 50 10 JKGE CCOc1ccc(C)cc1[C@H](Br)c1scc(Br)c1Br 705462334 FPLCVLPIBIXIGD-LBPRGKRZSA-N 469.036 6.465 50 10 JKGE CN(Cc1ccccc1)C1CCN(c2cccc(Br)c2CBr)CC1 717560622 CXMJUOZGLYWNTI-UHFFFAOYSA-N 452.234 5.445 50 10 JKGE CCn1cc([C@@H](Br)c2sc(C)c(Br)c2C)nc1Br 724938295 ROIUHNZTBUFZRG-SNVBAGLBSA-N 457.029 5.591 50 10 JKGE CCCCCOc1ccccc1C(=O)NN=Cc1ccc(Oc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])cc1 1084034502 NTXMJUIBBAMUTI-UHFFFAOYSA-N 492.488 5.628 50 10 JKGE CCCCCCCCCCOc1ccc(C(=O)NN=Cc2ccc(I)o2)cc1 1084248813 LJEDZSMYNWLHNC-UHFFFAOYSA-N 496.389 6.168 50 10 JKGE Cc1cc(Br)cc(C)c1OCC(=O)NN=Cc1cc(N=Nc2ccccc2)ccc1O 1565517493 CMZHHOWMDIMHKT-UHFFFAOYSA-N 481.350 5.716 50 10 JKGE Fc1cc(C(F)(F)F)ccc1[C@@H]1CN(Cc2ccccc2)C[C@@H]1CI 1614627322 JYZXAMCJXNNCRX-WMLDXEAASA-N 463.256 5.495 50 10 JKGE CCCCOc1ccc(NC(=O)c2oc3c(c2C)C(=NNC(=O)c2ccccc2C)CCC3)cc1 1772744011 PFZZBRQLRJBDHR-UHFFFAOYSA-N 473.573 5.798 50 10 JKGE CC(C)(C)c1ccc(OCCCC(=O)NN=Cc2c(F)cccc2Cl)c(Br)c1 1772755339 BRQQKALDKPFWRZ-UHFFFAOYSA-N 469.782 5.848 50 10 JKGE COc1cc([C@@H]2C(C#N)=C(N)Oc3c2c(C)nn3Cc2ccc(F)cc2)ccc1OCc1ccccc1 1865687708 YKOLOVOCKBYALA-HHHXNRCGSA-N 496.542 5.185 50 10 JKGE CCCOc1cccc([C@H]2C(C#N)=C(N)Oc3c2c(-c2ccccc2)nn3Cc2cc(C)ccc2C)c1 1865694661 YTWCZKOQCDLYCF-MHZLTWQESA-N 490.607 6.222 50 10 JKGE Cc1cccc(C)c1N1C(=O)c2ccc(NC(=O)/C(C#N)=C/c3cccc(Cl)c3)cc2C1=O 1866130053 YCPYGACRJRTEQU-WOJGMQOQSA-N 455.901 5.303 50 10 JKGE CCOC(=O)c1c(NC(=O)/C(C#N)=C/c2cccc(Cl)c2)sc(C(=O)Nc2ccccc2)c1C 1866130764 KWWYIHGSLDEJHD-SFQUDFHCSA-N 493.972 5.685 50 10 JKGE CCCc1nc(Nc2ccc(SC#N)cc2)cc(N2CCO[C@@H](c3ccc(Cl)cc3)C2)n1 1868389239 UBMZMSDUFQSHTC-OAQYLSRUSA-N 466.010 5.977 50 10 JKGE COC(=O)c1ccc(/C=C/C(O)=C(\C#N)c2nc(-c3cccc(Br)c3)cs2)cc1 1872746128 TYSCADWPBYPRPT-PECCUKLLSA-N 467.344 5.865 50 10 JKGE CC(C)(C)c1ccc(/C=C/C(O)=C(\C#N)c2nc(-c3ccc(Cl)c(Cl)c3)cs2)cc1 1872748980 WBETWIFCFFXOSI-JKTNXHDXSA-N 455.410 7.920 50 10 JKGE CC[C@H](C)N1C(=O)c2ccc(/C(O)=C(\C#N)c3nc(-c4cc(C)c(OC)cc4C)cs3)cc2C1=O 1872758433 ZVSWLTKIHGHBHD-QWVAQTLSSA-N 487.581 5.780 50 10 JKGE O=C(c1ccc(I)c(Br)c1)N(CCCCl)Cc1ccccc1 1914641040 WLYKUQCFODAWRT-UHFFFAOYSA-N 492.582 5.325 50 10 JKGE CC1(C)CC(C)([C@H](Br)c2c(Br)sc(Br)c2Cl)C1 1923068024 LUVVOHRBYIBVEU-MRVPVSSYSA-N 465.476 7.189 50 10 JKGE Clc1c(Br)sc(Br)c1[C@H](Br)[C@@H]1C[C@@H]2C[C@H]2CO1 1923072359 OKHYEZNVIPSRPW-VUBPFVNUSA-N 465.432 5.788 50 10 JKGE CCC1([C@H](Br)c2c(Br)sc(Br)c2Br)CC1 1924577046 WHUMYZKIPWROKW-SSDOTTSWSA-N 481.873 6.662 50 10 JKGE CCCC[C@H](C)[C@@H](Br)c1c(Br)sc(Br)c1Br 1924580668 UGTTUQVOHPKIMF-POYBYMJQSA-N 497.916 7.298 50 10 JKGE Cc1cc(Br)c([C@H](Cl)c2csc(Br)c2Br)s1 1937734039 BQXQSTXJFXWVKG-MRVPVSSYSA-N 465.457 6.734 50 10 JKGE F[C@H]([C@@H](Cl)c1c(Br)sc(Br)c1Br)C(F)(F)F 1984586267 PTWZUSGXVDZANB-IUYQGCFVSA-N 469.317 6.216 50 10 JKGE Cl[C@H](c1cc(I)sn1)c1cc(C2CC2)c(Br)s1 2007647141 GNHDNPXADIFKJW-SNVBAGLBSA-N 460.587 5.777 50 10 JKGE C[C@@H]1OC2([C@H](Br)c3c(Br)sc(Br)c3Cl)CC1C2 2017753885 ABBHEIUOEUHXCB-WWJNBCINSA-N 465.432 5.930 50 10 JKGE FC(F)(F)C[C@H](CBr)NCc1ccc(Br)cc1Br 2031402278 HGBHGYDLTHUWCZ-SECBINFHSA-N 453.922 5.017 50 10 JKGE Fc1ccccc1C[C@@H](Br)c1ccc(Br)cc1I 2086144523 AVORKFILZORBCK-GFCCVEGCSA-N 483.944 5.872 50 10 JKGE Fc1cccc(F)c1C[C@@H](Br)c1c(Br)cccc1Br 2094099015 JKJWEQKUNSLVPY-LLVKDONJSA-N 454.934 6.169 50 10 JKGE O=C(NC1(CBr)CC2(CCC2)C1)c1csc(Br)c1Br 2107262290 JXGUOFYSHVUUJJ-UHFFFAOYSA-N 472.040 5.101 50 10 JKGE Cn1nc(CC(CBr)(CBr)C2CCCCC2)cc1Br 2111915100 KKRXQNYRNVPMML-UHFFFAOYSA-N 457.048 5.082 50 10 JKGE Fc1cc(Br)cc(Oc2ccc(Br)cc2Cl)c1CBr 2114263847 FKKHHXOCVXVPDA-UHFFFAOYSA-N 473.361 6.691 50 10 JKGE Brc1csc([C@H](Br)c2cc(Br)c3c(c2)CCCO3)c1 2115940473 PEBGDNIKHLTIEZ-CYBMUJFWSA-N 467.020 6.082 50 10 JKGE CC1(C)C[C@H](NC(=O)c2cccc(Br)c2Br)C[C@H](Br)C1 2148751566 QJTJUAFMTFYHKU-VHSXEESVSA-N 468.027 5.284 50 10 JKGE FC(F)(F)c1ccc(Br)c([C@H](Cl)c2sc(Cl)cc2Br)c1 2154477803 HYIYDLRQZHTXCB-JTQLQIEISA-N 468.947 7.274 50 10 JKGE COC1CC2(C1)CC([C@@H](Br)c1cc(Br)c(C)cc1Br)C2 2156574774 NFBFBBYNJKVSMU-RGMKSQPISA-N 467.039 6.161 50 10 JKGE CC(C)(C)[C@]1(CBr)CCN(Cc2ccc(Br)cc2Br)C1 2160930518 PPCQSLXGSGOZHY-INIZCTEOSA-N 468.071 5.845 50 10 JKGE O=C(NC[C@H]1CCCC[C@@H](Br)C1)c1cc(Br)ccc1Br 2163746356 RDJCZNJXRXXDGG-WDEREUQCSA-N 468.027 5.285 50 10 JKGE COc1cc(Br)c(C)cc1[C@H](Cl)c1cc(I)ccc1F 2169664765 VPHRENXPARPMCN-OAHLLOKOSA-N 469.519 5.838 50 10 JKGE Cc1c(Br)sc([C@@H](Cl)C2(C(F)(F)F)CCOCC2)c1Br 2173207699 BWGSAJOHUVYQSC-SECBINFHSA-N 456.549 6.221 50 10 JKGE Cc1cc(COc2c(Br)cc(CBr)cc2Br)nnc1C 2185753304 HJXZQAFBWZVSTB-UHFFFAOYSA-N 464.983 5.092 50 10 JKGE Brc1ccc(CN2CC[C@@H]3CC[C@@H](Br)C[C@H]3C2)c(Br)c1 2204114765 SKRJFJDTCWKWMF-FPMFFAJLSA-N 466.055 5.597 50 10 JKGE CC(C)(C)C(=O)[C@H](Br)Cc1ccc(C(F)(F)F)cc1I 2204126912 INBOYPUZOAEQFS-SNVBAGLBSA-N 463.075 5.231 50 10 JKGE BrCc1cc(Br)c(OC[C@H]2CCC3(CC3)CO2)c(Br)c1 2205239514 FCGYHMHOZOWWTA-LLVKDONJSA-N 469.011 5.445 50 10 JKGE COC[C@]12C[C@]([C@H](Br)c3cc(Br)c(C)cc3Br)(CO1)C2 2206079006 RGHRPVKOJCGDIX-RBSFLKMASA-N 469.011 5.152 50 10 JKGE Clc1cc(CN2CCC[C@@]3(CBr)CCC[C@H]23)ccc1I 2208035238 CUGUERTUXCHGIL-JKSUJKDBSA-N 468.604 5.474 50 10 JKGE CC(C)N1C[C@@H](Cl)[C@@H](c2sc(Br)c(Br)c2Br)C1 2216390647 CSAYETFQEYBEIG-NKWVEPMBSA-N 466.464 5.451 50 10 JKGE Cc1sc(Br)c(C)c1[C@H](Br)Cc1ccccc1Br 2218805689 MSYVQBHVVQICQF-GFCCVEGCSA-N 453.037 6.569 50 10 JKGE Cc1sc([C@@H](Br)Cc2ccncc2Br)c(Br)c1C 2221827065 SUHJVQRAIJFWJC-JTQLQIEISA-N 454.025 5.964 50 10 JKGE Cn1nc(Br)c([C@@H](Cl)c2c(Br)cc(Cl)c(Cl)c2Cl)n1 2226975380 VWUWILXHXGFLPG-QMMMGPOBSA-N 468.791 5.629 50 10 JKGE Cc1cc(Br)c([C@@H](Br)CC2CC(F)(F)C2)c(C)c1Br 2227355188 LQLDPXQTOZSCIG-NSHDSACASA-N 460.982 6.700 50 10 JKGE CC1(C)C[C@@H](n2c(CCl)nc3c(F)cc(Br)cc32)[C@@H]1OCc1ccccc1 2232920644 CVXXRXMZQJIVDH-XLIONFOSSA-N 451.767 6.233 50 10 JKGE CCOCc1cc(Br)c([C@H](Cl)c2nc(CC)sc2Br)s1 2233020962 LTZJSSDRNCUIQT-SNVBAGLBSA-N 459.656 6.157 50 10 JKGE Fc1cc(Br)c(Br)cc1[C@H](Br)c1ccc2sccc2c1 2233992169 LKISNXLUAKRYHW-OAHLLOKOSA-N 479.006 7.050 50 10 JKGE Clc1ccc(I)c(CN2C[C@@H]3CCCC[C@]3(CBr)C2)c1 2238826130 FYMHDCPZXOPDNR-BBRMVZONSA-N 468.604 5.332 50 10 JKGE Cc1c(Br)sc([C@H](Br)[C@H]2CCC(F)(F)C2)c1Br 2252717640 CWQMPLHPWMGHSN-POYBYMJQSA-N 452.984 6.453 50 10 JKGE CC[C@H]1CN(CC2(CBr)CC(C)C2)[C@H](CC)CN1C(=O)OCc1ccccc1 2254159548 SBMPASKVMULSJR-BLDKCIGBSA-N 451.449 5.309 50 10 JKGE CC1CC2(C1)CC([C@@H](Br)c1cc(Br)c(Br)cc1F)C2 2272231406 DPCZERJTPMEVSM-UOUHDCLHSA-N 455.003 6.613 50 10 JKGE C[C@H]1C[C@@H]([C@H](Br)c2c(F)cc(Br)c(F)c2Br)C[C@@H](C)O1 2288366278 ZHZRZPCUILCNAB-FCGKXJCRSA-N 476.981 6.129 50 10 JKGE Clc1cc(Br)c([C@H](Br)[C@@]23CCCC[C@@H]2CC3)c(Cl)c1Cl 2288970885 JOSSSTYMYLCMGJ-UKXDHYTESA-N 461.452 7.816 50 10 JKGE COc1sc([C@@H](Br)c2sc(C(F)(F)F)cc2C)cc1Br 2295259014 QSTVCEWGQJLEPH-SECBINFHSA-N 450.139 6.392 50 10 JKGE COCc1ccccc1[C@@H](Br)Cc1cc(Br)cc(Br)c1 2295330437 VRJOKFVUZHYUBT-INIZCTEOSA-N 463.007 6.037 50 10 JKGE COc1c(C)cc(C)cc1[C@@H](Br)c1cc(Br)ccc1Br 2295357725 OWRLLORGGOYSMT-HNNXBMFYSA-N 463.007 6.321 50 10 JKGE CCCCCCCCNC(=O)C(C#N)=Cc1cn(-c2ccccc2)nc1-c1cc2ccccc2o1 2297488369 RMXWWTALDSDMKJ-UHFFFAOYSA-N 466.585 6.669 50 10 JKGE Brc1cc(OCc2ccccc2)ccc1[C@H](Br)C[C@@H]1C[C@H]2C[C@H]2C1 2299507800 HABXAFJLIZLCFW-AXVVYFOYSA-N 450.214 6.900 50 10 JKGE N#CC(=Cc1ccc(OCc2ccc([N+](=O)[O-])cc2)cc1)C(=O)Nc1cccc(Cl)c1Cl 2313570717 DTKNHCOLBIBRPX-UHFFFAOYSA-N 468.296 6.026 50 10 JKGE CCOc1cc(C=C(C#N)C(=O)Nc2ccc(Cl)cc2)ccc1OC(=O)c1ccc(Cl)cc1 2313630900 HKXBCIIQAYKMRR-UHFFFAOYSA-N 481.335 6.157 50 10 JKGE CCc1ccc(NC(=O)C(C#N)=Cc2cc(Br)ccc2OCc2ccc(F)cc2)cc1 2313681187 RPEOWRVYZWLMKW-UHFFFAOYSA-N 479.349 6.275 50 10 JKGE COc1cccc2cc(-c3nn(-c4ccccc4)cc3C=C(C#N)c3nc4ccccc4n3C)oc12 2314450556 CPWCKSUCYDTXSX-UHFFFAOYSA-N 471.520 6.245 50 10 JKGE Brc1cc(OCc2ccccc2)ccc1[C@H](Br)[C@H]1C[C@]12CCCOC2 2314500631 PNTITYFYAPHHIA-GIVPXCGWSA-N 466.213 6.281 50 10 JKGE Cc1cccc(Oc2nc3c(C)cccn3c(=O)c2C=C(C#N)C(=O)Nc2cccc(Cl)c2)c1C 2314533588 SBIGBBWNVDWRAF-UHFFFAOYSA-N 484.943 5.611 50 10 JKGE Cc1cccc(NC(=O)C(C#N)=C2S[C@H](Cc3ccccc3F)C(=O)N2c2ccc(C)c(C)c2)c1 2314591817 FNFPJPBORCKVPW-RUZDIDTESA-N 485.584 5.816 50 10 JKGE CC1=C(C#N)C(=O)N(C[C@H]2CCCO2)C(=O)C1=Cc1ccc(OCc2ccc(Cl)cc2Cl)cc1 2314618538 PFTROVWLBZRPGU-OAQYLSRUSA-N 497.378 5.344 50 10 JKGE COc1ccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)C=Cc4ccc(C(C)(C)C)cc4)ccc32)cc1 2314634259 PXPFPCGKQQEMAE-MUUNZHRXSA-N 480.564 5.830 50 10 JKGE CCCCCOc1cccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)C=Cc4ccc(C)cc4)ccc32)c1 2314634713 CHVIMHXYTURDNB-PMERELPUSA-N 494.591 6.401 50 10 JKGE CCOc1cc(C=C(C#N)C(=O)NCc2ccco2)ccc1OC(=O)c1ccc(-c2ccccc2)cc1 2314753148 BFXSPTLSSYDMGX-UHFFFAOYSA-N 492.531 5.788 50 10 JKGE COc1c(Cl)cc(CO[C@](C)(CBr)CNC(=O)OC(C)(C)C)cc1Cl 2317771613 SIBVBQWRHPQNJS-QGZVFWFLSA-N 457.192 5.197 50 10 JKGE Cc1cccc(N2CCN(C=C(C#N)C(=O)Nc3ccc(Cl)c(C(F)(F)F)c3)CC2)c1C 2320907470 GZAZBLXHERXAMJ-UHFFFAOYSA-N 462.903 5.144 50 10 JKGE Cc1cc(Cl)c([C@@H](Br)c2sc(Br)cc2Br)c(Cl)c1 2327903904 WEISWHVZUIFARI-LLVKDONJSA-N 493.873 7.373 50 10 JKGE COc1cc(C=C(C#N)c2ncccc2[N+](=O)[O-])ccc1OC(=O)c1ccc(Cl)cc1Cl 2331059440 BCFXKUOUWUDOKT-UHFFFAOYSA-N 470.268 5.589 50 10 JKGE Cc1ccc(S(=O)(=O)NCC(O)=C(C#N)c2nc(-c3ccc(C(C)C)cc3)cs2)cc1 2331342966 ITOSABNQFUOKTO-UHFFFAOYSA-N 453.589 5.013 50 10 JKGE COc1cc(Cl)c(C)cc1-c1csc(C(C#N)=C(O)[C@@H](C)N2C(=O)c3ccccc3C2=O)n1 2331390559 NICUOMHUUVGFCQ-CYBMUJFWSA-N 479.945 5.258 50 10 JKGE COc1c(C)cc(Cl)cc1-c1csc(C(C#N)=C(O)c2ccc3nc(C)c(C)nc3c2)n1 2331392383 YEDDXYFPSQRMRI-UHFFFAOYSA-N 462.962 6.290 50 10 JKGE Cc1cc(C)c(-c2csc(C(C#N)=C(O)c3ccc(N4CCCC4)c([N+](=O)[O-])c3)n2)c(C)c1 2331394540 RYBKXRVRKZUMOT-UHFFFAOYSA-N 460.559 6.194 50 10 JKGE COc1ccc(-c2csc(C(C#N)=C(O)C=Cc3ccc(Cl)cc3Cl)n2)cc1Cl 2331398073 CFDLGKGENKEDKG-UHFFFAOYSA-N 463.773 7.285 50 10 JKGE CC(C)c1ccccc1O[C@H](C)C(O)=C(C#N)c1nc(-c2cc(Cl)ccc2Cl)cs1 2331404455 IALPLLGJQAZLBB-CQSZACIVSA-N 459.398 7.500 50 10 JKGE CCOc1cc(C=C(C#N)c2nc(-c3cccc(OC)c3)cs2)ccc1OCC(=O)N(CC)CC 2331421449 RAEHNYOENWKOCA-UHFFFAOYSA-N 491.613 5.529 50 10 JKGE COc1cccc(C=C(C#N)c2nc(-c3ccc(C)c(C)c3)cs2)c1OCc1cccc(C)c1 2331473024 MXCPHNDNEHHUJA-UHFFFAOYSA-N 466.606 7.387 50 10 JKGE COc1csc([C@@H](Br)c2c(Cl)cc(Br)c(F)c2Br)c1 2337111721 AGVCWTPUBYAQSA-SNVBAGLBSA-N 493.417 6.559 50 10 JKGE Clc1ccc(CN2C[C@H](Br)CC3(CCC3)C2)cc1I 2337224737 CSIIVPRURSLMIW-GFCCVEGCSA-N 454.577 5.084 50 10 JKGE BrC[C@]1(Cc2ccc(I)c(Br)c2)CCCC12CCC2 2349845238 NCMKAHINKOODBO-MRXNPFEDSA-N 498.040 6.332 50 10 JKGE Cc1ccc([C@H](Br)c2c(F)cc(Cl)c(Br)c2Cl)c(Cl)c1 2360421358 CNRXZNVIHUPOKD-LBPRGKRZSA-N 461.383 7.341 50 10 JKGE CC(C)(CC(F)(F)F)[C@H](Cl)c1c(Cl)cc(Br)c(F)c1Br 2362228120 LXVAVYPOSPWNEB-SNVBAGLBSA-N 460.918 7.263 50 10 JKGE Cc1cc(Br)c(F)c(Br)c1[C@@H](Cl)c1c(F)cccc1Br 2365189433 VBTVMBPSQCRNOY-CYBMUJFWSA-N 489.379 6.889 50 10 JKGE Clc1ccc(CN2C[C@@H]3CCC[C@@](CBr)(C3)C2)c(I)c1 2366715150 OEFDIIXCCQJQIJ-WBMJQRKESA-N 468.604 5.332 50 10 JKGE Cc1sc(Br)cc1[C@@H](Br)c1cc2c(cc1Br)OCCC2 2369617920 FOLUUTIQWQTFPN-OAHLLOKOSA-N 481.047 6.391 50 10 JKGE C/C(=C\C#N)N1C(=O)c2ccc(C(=O)Nc3ccc(-c4nc5cc(Cl)ccc5[nH]4)cc3)cc2C1=O 21142328 SWFNWLGHWILALL-GXDHUFHOSA-N 481.899 5.159 50 10 JKGE COc1cc(/C=C(/C#N)c2cccc(Cl)c2)ccc1OC(=O)/C=C/c1ccc(Cl)cc1Cl 31902407 UYBNWHFLGSECIW-QBWRGEQUSA-N 484.766 7.338 50 10 JKGE Cc1ccc(Cc2cnc(NC(=O)/C(C#N)=C\c3ccc(-c4ccc(F)cc4)o3)s2)cc1Cl 33285803 NEQLVMDKXQXRKE-PDGQHHTCSA-N 477.948 6.641 50 10 JKGE COc1cc(/C=C2/C(=O)N(Cc3ccc(C)cc3)C(=O)C(C#N)=C2C)ccc1OCc1ccc(F)cc1 38608477 YKSAMWQNYKXSRG-AFUMVMLFSA-N 496.538 5.514 50 10 JKGE N#CC1=C(N)Oc2cc(OC(=O)C(c3ccccc3)c3ccccc3)ccc2[C@@H]1c1ccccc1Cl 38651104 CDXWFLHIWVBNSL-NDEPHWFRSA-N 492.962 6.296 50 10 JKGE CCCCOc1ccccc1C(=O)Oc1ccc2c(c1)OC(N)=C(C#N)[C@H]2c1cccc2ccccc12 38657948 GUEJYYZUSUVCPF-LJAQVGFWSA-N 490.559 6.456 50 10 JKGE CCCCOc1ccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4cccc(C)c4)ccc32)cc1OCC 38683987 IBSVHSPVIGFVIS-MUUNZHRXSA-N 498.579 6.010 50 10 JKGE CCOc1ccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)Cc4ccc(Cl)cc4)ccc32)cc1 38685953 ORJGSRJTCDOLQE-RUZDIDTESA-N 460.917 5.105 50 10 JKGE Cc1ccc2cccc(Nc3ncnc(NNC(=O)c4ccc(Cl)cc4Cl)c3[N+](=O)[O-])c2n1 40626789 RXCWSLVIUBAZMS-UHFFFAOYSA-N 484.303 5.049 50 10 JKGE COc1cc(/C=C(\C#N)c2ccccc2)ccc1OC(=O)COc1ccc2c(C)cc(=O)oc2c1 40851091 MCLLKPMHGIWBAC-FYJGNVAPSA-N 467.477 5.159 50 10 JKGE COc1cc(/C=C2/C(=O)N(CCc3ccccc3)C(=O)C(C#N)=C2C)ccc1OCc1ccccc1 101338225 CROIEBLWBPODSG-KOEQRZSOSA-N 478.548 5.109 50 10 JKGE Cc1c(/C=C(/C#N)C(=O)NCc2ccccc2)c2ccccc2n1CCOc1ccccc1Cl 102586004 OEYKCHMPSKTCFB-XLNRJJMWSA-N 469.972 5.906 50 10 JKGE N#C/C(C(=O)CSc1ncnc2sc(-c3ccccc3)cc12)=C1\Nc2ccccc2S1 103908304 FXRYQWVPGFJVKQ-KQWNVCNZSA-N 458.593 5.972 50 10 JKGE CCOC(=O)/C(C#N)=C/C=C(\c1ccc(Cl)cc1)N1CCN(c2cccc(Cl)c2)CC1 108559082 HIZXSUCRLQLQGQ-GVEOMPJXSA-N 456.373 5.170 50 10 JKGE O=C(c1cc(Br)c(Br)s1)N1CCCC[C@@H]1CCBr 123266018 JNKGFPGNPVJCOH-MRVPVSSYSA-N 460.029 5.053 50 10 JKGE Cc1sc(Br)cc1[C@@H](Br)c1cc(C(F)(F)F)ccc1Br 159844123 SRJRGQFRABQHJN-GFCCVEGCSA-N 492.980 7.085 50 10 JKGE COc1ccc([C@@H](Br)c2cc(Br)ccc2Br)c(F)c1 161095058 YMZADIGIXVORMP-CQSZACIVSA-N 452.943 5.844 50 10 JKGE Fc1cccc(Br)c1[C@H](Br)c1cc(Cl)c(Br)s1 161221226 IDWDEOAXNJNHSU-SNVBAGLBSA-N 463.391 6.550 50 10 JKGE Brc1cccc([C@H](CI)OCc2ccccc2Br)c1 162556085 QHIIDJTWMXJYGH-HNNXBMFYSA-N 495.980 5.905 50 10 JKGE CC1(C)C[C@@H](N=C=O)C[C@@](C)(CNC(=O)NCCc2c[nH]c3cc(OCc4ccccc4)ccc23)C1 170291093 JBKBSZLPZIHZRI-RNWIMVQKSA-N 488.632 5.509 50 10 JKGE CCCCN1C(=O)C(C#N)=C(C)/C(=C/c2cn(-c3ccccc3)nc2-c2ccc3c(c2)C[C@H](C)O3)C1=O 214225906 XUZDIASXCPZOJR-LIAPLOTISA-N 492.579 5.255 50 10 JKGE CCOc1ccc([C@@H](Br)c2ccc(Cl)cc2Br)c(Br)c1 233819297 PNCWUNQTXYOZDM-HNNXBMFYSA-N 483.425 6.748 50 10 JKGE CN(Cc1csc(Br)c1)c1ccc(CBr)cc1Br 234317662 CKNOZGISZNMVCB-UHFFFAOYSA-N 454.025 5.804 50 10 JKGE COc1ccc([C@@H](Br)c2ccc(F)c(Br)c2)c(Br)c1 234981186 NUKDQOUWVCZTCV-AWEZNQCLSA-N 452.943 5.844 50 10 JKGE Cl[C@H](Cc1nc2ccccc2s1)c1cc(Br)ccc1I 236034383 NIAWKNQJJHCDBZ-LLVKDONJSA-N 478.580 6.186 50 10 JKGE COc1cccc(C=NNC(=O)CSc2nc3ccccc3o2)c1OCc1cccc(Cl)c1 252632040 VOWZTLWNWVNMQN-UHFFFAOYSA-N 481.961 5.311 50 10 JKGE Oc1ccccc1C=Nc1ccc(SSc2ccc(N=Cc3ccccc3O)cc2)cc1 253642390 WORJHOARZNZREI-UHFFFAOYSA-N 456.592 7.398 50 10 JKGE CC(=O)O[C@H]1CC[C@]2(C)[C@@H]3CC[C@]4(C)[C@H]([C@H](C)[C@@H]5O[C@H]5[C@H](C)C(C)C)CC[C@@H]4[C@@]34CC[C@@]2(C1)OO4 254396618 TUUMXOVLVDUNHM-WTPYUNQASA-N 488.709 6.480 50 10 JKGE COc1ccc(C=NNC(=O)c2ccc(C(C)(C)C)cc2)cc1CN1CCCc2ccccc21 254442120 WIBIMBNQZPGKRP-UHFFFAOYSA-N 455.602 5.709 50 10 JKGE O=C1Cc2cc([C@H](Br)c3sccc3Br)c(Br)cc2N1 305944317 BTQHRNIYBSUAIR-LBPRGKRZSA-N 465.992 5.252 50 10 JKGE BrCc1cc(I)c2ccsc2c1I 306616072 PUBSHAHJLMPQPH-UHFFFAOYSA-N 478.918 5.005 50 10 JKGE CC1(C)[C@@H](Oc2c(I)cc(Cl)cc2I)C[C@H]1Cl 310443189 XKDIFACOHUOQLC-ZJUUUORDSA-N 496.941 5.334 50 10 JKGE C[C@H]1[C@H](n2c(CCCl)nc3cc(I)ccc32)CCN1Cc1ccccc1 312018091 VMFNFAYBFJQWJF-HNAYVOBHSA-N 479.793 5.258 50 10 JKGE Cc1ccc(Br)cc1COc1c(Br)cc(Br)cc1CCl 313676289 IEVOUFCWVXCMQN-UHFFFAOYSA-N 483.425 6.600 50 10 JKGE C[C@H](Cl)c1nc2cc(I)ccc2n1Cc1cnn(Cc2ccccc2)c1 390377436 UBYZHWURBXOEKT-AWEZNQCLSA-N 476.749 5.234 50 10 JKGE CC(C)=CCC[C@H](C)[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 575232494 WMYHVBGDMMKBLR-GQLPSJISSA-N 496.896 10.258 50 10 JKGE in-vitro ClCc1cc(Br)cc(Br)c1OCCc1ccc(Br)cn1 695702994 CGNMXCHMCCUXFH-UHFFFAOYSA-N 484.413 5.729 50 10 JKGE COc1ccc(C)cc1[C@@H](Br)c1scc(Br)c1Br 705425643 LSLNMGRWZWUZRS-LLVKDONJSA-N 455.009 6.074 50 10 JKGE COc1cc(Cl)c([C@@H](Cl)c2scc(Br)c2Br)cc1Cl 705461722 CEMOUCFVOLMMJC-LLVKDONJSA-N 465.421 6.917 50 10 JKGE COc1ccc([C@H](Cl)c2cccc(F)c2I)cc1Br 721691046 JLFBELZGSWUVEY-ZDUSSCGKSA-N 455.492 5.530 50 10 JKGE Cc1cc(C=NNC(=O)CSCc2ccccc2Cl)c(C)n1-c1cccc(Br)c1 1084285273 BUCQBXXEIUVTEP-UHFFFAOYSA-N 490.854 5.894 50 10 JKGE O=C(NN=C1C(=O)N(Cc2ccccc2Cl)c2ccccc21)c1ccc(Cl)cc1Cl 1084400619 BJIAFKCUJTUPBG-UHFFFAOYSA-N 458.732 5.328 50 10 JKGE FC(F)(F)Oc1ccccc1[C@H]1CN(Cc2ccccc2)C[C@H]1CI 1614621718 HZMJZDKVUPDMMK-WBVHZDCISA-N 461.265 5.236 50 10 JKGE CCOC(=O)c1c(NC(=O)NN=Cc2cccc(OCc3ccccc3)c2)sc2c1CC[C@H](C)C2 1772753075 CWSYUZHQYKWPDB-SFHVURJKSA-N 491.613 5.784 50 10 JKGE CCCCOc1ccc(C=NNC(=O)CSc2nc(-c3ccccc3)cs2)cc1OC 1772755090 MKMODRXBTGDPCA-UHFFFAOYSA-N 455.605 5.240 50 10 JKGE CCCCCCOc1ccc(C=NNC(=O)CSc2nc(-c3ccccc3)cs2)cc1OCC 1772755283 YZSYUATYDAWIRM-UHFFFAOYSA-N 497.686 6.410 50 10 JKGE C=CCOc1ccccc1[C@H]1C(C#N)=C(N)Oc2c1c(C)nn2Cc1ccc(Cl)c(Cl)c1 1865691351 PVYSQDYPTMBGAR-QFIPXVFZSA-N 467.356 5.330 50 10 JKGE COc1ccc(-c2nn(Cc3cccc(Cl)c3)c3c2[C@H](c2ccco2)C(C#N)=C(N)O3)cc1 1865698432 TWKJPKFVLVNFJJ-NRFANRHFSA-N 458.905 5.072 50 10 JKGE CCCn1nc(CC)c2c1OC(N)=C(C#N)[C@@H]2c1ccc(OCc2ccc(Cl)cc2)c(OC)c1 1865701441 VUMWLPRBSALTFT-QHCPKHFHSA-N 478.980 5.315 50 10 JKGE Cc1nn(Cc2ccccc2)c2c1[C@H](c1ccc(OCc3ccccc3Cl)cc1)C(C#N)=C(N)O2 1865704374 UNDWOBQYJLNPIE-AREMUKBSSA-N 482.971 5.690 50 10 JKGE N#CSc1ccc(NC(=O)[C@@H](Cc2ccccc2)NC(=O)C[C@@H](c2ccccc2)C2CC2)cc1 1866729705 NOWZIYRQGQIHSE-IZZNHLLZSA-N 469.610 5.510 50 10 JKGE COc1ccc(-c2csc(/C(C#N)=C(\O)c3c(Cl)ccc(Cl)c3OC)n2)cc1OC 1872745195 DNWWZLQIOBNYED-UNOMPAQXSA-N 463.342 6.093 50 10 JKGE COc1cc(/C=C/C(O)=C(\C#N)c2nc(-c3ccccc3Cl)cs2)ccc1OC(C)=O 1872746371 FBLJXRFAPHDWIA-SECLFAORSA-N 452.919 5.903 50 10 JKGE CC(C)C[C@@H](/C(O)=C(\C#N)c1nc(-c2cccc(Cl)c2)cs1)N1C(=O)c2ccccc2C1=O 1872748195 MQGMYOODKRLMKD-NNWMPZTLSA-N 477.973 5.967 50 10 JKGE Cc1ccc(COc2ccc(/C=C(\C#N)c3nc(-c4ccc(Cl)cc4Cl)cs3)cc2)cc1 1872781946 YGOIMTXNJFGCIY-UDWIEESQSA-N 477.416 8.069 50 10 JKGE COc1cc(/C=C(\C#N)c2nc(-c3cc(C(C)(C)C)ccc3C)cs2)ccc1OCc1ccccc1 1872794155 MODVRPHOLITNGP-BUVRLJJBSA-N 494.660 8.068 50 10 JKGE Clc1cc([C@H](Br)c2cc(I)sn2)sc1Br 1909888252 AQOCKXIPWQSZHT-SSDOTTSWSA-N 499.418 5.709 50 10 JKGE Brc1cc([C@@H](Br)c2sc(Br)cc2Br)ns1 1909890134 ZBSCNUZAJRISOU-SSDOTTSWSA-N 496.869 5.976 50 10 JKGE CC[C@H](Br)CN(Cc1ccccc1)C(=O)c1cc(C(F)(F)F)ccc1Br 1915099195 PTKGAKAYZRKXFZ-HNNXBMFYSA-N 493.161 6.284 50 10 JKGE FC(F)(F)C([C@@H](Br)c1c(Cl)sc(Br)c1Cl)C(F)(F)F 1925588586 GSQSNPKNMYGZTP-REOHCLBHSA-N 474.873 6.994 50 10 JKGE O=C(N[C@H](CBr)CC1CCCC1)c1ccc(Br)cc1Br 1926738017 WPZQAMDNYCTQIK-LBPRGKRZSA-N 468.027 5.285 50 10 JKGE Cl[C@H](c1csc(Br)c1Br)c1sccc1Br 1930627744 IIJALWBQXOUQBT-SSDOTTSWSA-N 451.430 6.425 50 10 JKGE C[C@@H](Br)CN(Cc1ccccc1)C(=O)c1cc(Br)c(Cl)s1 1956957471 OFRFRLXNIOBOGW-SNVBAGLBSA-N 451.611 5.590 50 10 JKGE Cl[C@H](c1c(Br)sc(Br)c1Br)[C@H]1C[C@H]1C1CCC1 2022288924 FPHPPFGFPWWQLU-BYULHYEWSA-N 463.460 6.752 50 10 JKGE CC(C)(CBr)CCCNC(=O)c1csc(Br)c1Br 2032958516 FSVZXUSUWUFNMR-UHFFFAOYSA-N 462.045 5.204 50 10 JKGE FC1(F)[C@H]([C@H](Br)c2cc(Br)sc2Br)C12CCCC2 2036157447 SQJUEBMSTDYMBA-RKDXNWHRSA-N 464.995 6.535 50 10 JKGE Cn1c(SCC(=O)C(C#N)=C2Nc3ccccc3S2)nnc1-c1ccc(C(C)(C)C)cc1 2040426349 RCEKDOXNJGKZAZ-UHFFFAOYSA-N 461.616 5.394 50 10 JKGE CC1(C)[C@@H](Br)CCCN1C(=O)c1cc(Br)c(Br)s1 2076214949 SCHKCAMXNDJBGB-VIFPVBQESA-N 460.029 5.051 50 10 JKGE Fc1cc(-n2nc(CBr)c(Br)c2C(F)(F)F)ccc1C(F)(F)F 2079240859 WXEIBUHVDSUMSX-UHFFFAOYSA-N 469.980 5.706 50 10 JKGE Cc1cc(Br)c(C)c([C@H](Br)c2sccc2F)c1Br 2081072666 WWHFFBXHIUTBON-LBPRGKRZSA-N 457.000 6.513 50 10 JKGE C[C@H]1CN(Cc2cccc(Br)c2Br)CC[C@H]1CCBr 2115844000 PJIHQUWGXAGOPF-NWDGAFQWSA-N 454.044 5.455 50 10 JKGE O=C(NCC[C@H]1CCCC[C@@H]1Br)c1csc(Br)c1Br 2123028094 FAYFCHXRNFNDIF-SCZZXKLOSA-N 474.056 5.347 50 10 JKGE CC1(C)CCCN(C(=O)c2cc(Br)sc2Br)[C@H]1CBr 2129322811 BJAAZHDUSVIKIM-VIFPVBQESA-N 474.056 5.299 50 10 JKGE Cc1cc(Br)c(C)c([C@H](Cl)c2cc(Br)sc2C)c1Br 2136383941 KAGHFJKQZIJWQO-CQSZACIVSA-N 487.482 7.289 50 10 JKGE Cc1cc(C)c(C)c([C@@H](Br)c2c(Br)sc(Br)c2Cl)c1 2138304265 CIGCXLKWXLQFKU-LLVKDONJSA-N 487.482 7.336 50 10 JKGE Cl[C@H](c1cc(Br)c2c(c1)CCO2)c1cc(Br)ccc1Br 2146623318 VZUPNNDFMZAOKP-CQSZACIVSA-N 481.409 6.237 50 10 JKGE O=C(c1csc(Br)c1Br)N1CCC[C@@]2(CBr)CCC[C@H]12 2165282582 FZFBQBBSYFLBRZ-IINYFYTJSA-N 486.067 5.443 50 10 JKGE Brc1ccc(CN2CCC[C@@H]3CC[C@H](Br)C[C@H]32)c(Br)c1 2167010380 OVBWVRCYONSMQJ-DIOULYMOSA-N 466.055 5.740 50 10 JKGE O=[N+]([O-])c1ccccc1C[C@@H](Br)c1cc(I)ccc1F 2169667318 ZJADDKJCPOLJJZ-GFCCVEGCSA-N 450.045 5.017 50 10 JKGE O=C(NCC[C@@H]1CCCC[C@@H]1Br)c1ccc(I)c(Cl)c1 2179638575 XQWXTIRXIUECIU-JQWIXIFHSA-N 470.576 5.018 50 10 JKGE Cc1ccc([C@H](Br)c2c(C)c(Br)cc(C)c2Br)c(Cl)c1 2201067873 BSJGGBJZMWFOBE-INIZCTEOSA-N 481.453 7.275 50 10 JKGE CO[C@]1(C(F)(F)F)C[C@H]([C@H](Br)c2ccc(Br)cc2Br)C1 2203704556 LLKZBHGOJBWKPT-CQFDHEJISA-N 480.944 6.005 50 10 JKGE Cc1cc([C@H](Br)c2cc(Br)c(C)s2)c(C)cc1Br 2218971224 WWXGLMUSQDDAFY-AWEZNQCLSA-N 453.037 6.683 50 10 JKGE C[C@@H]1CCO[C@H]1C[C@H](Br)c1c(Br)cc(Cl)c(Cl)c1Cl 2224321703 MSMVQXIJMVLHCH-PMVVWTBXSA-N 451.413 6.660 50 10 JKGE Clc1cc(Br)c([C@@H](Br)C2CCCCCCC2)c(Cl)c1Cl 2232508971 BDDYQPBRUOKPGG-ZDUSSCGKSA-N 463.468 8.206 50 10 JKGE Cc1cc(Br)c([C@H](Br)C[C@H]2COC(C)(C)C2)c(C)c1Br 2235598773 JHGITJNHAHDESY-DGCLKSJQSA-N 469.055 6.470 50 10 JKGE Cc1cc(Br)c([C@H](Br)c2cc(Br)cc3c2OCCC3)s1 2237633763 PMTKJYWGRFRCSA-CYBMUJFWSA-N 481.047 6.391 50 10 JKGE COc1ccc(C(Br)c2ccc(OC)cc2Br)c(Br)c1 2240809479 DMZKITOEBMBOQZ-UHFFFAOYSA-N 464.979 5.713 50 10 JKGE Clc1c(Br)sc(Br)c1[C@@H](Br)[C@@H]1CCC12CCC2 2247331020 YOYATCJDETZKJI-XPUUQOCRSA-N 463.460 6.943 50 10 JKGE COc1ccc([C@H](Br)c2ccsc2Br)c(Br)c1Cl 2256328917 GKOCOPPBYNULLM-VIFPVBQESA-N 475.427 6.419 50 10 JKGE Fc1cc(Br)c(F)c(Br)c1[C@H](Br)[C@@H]1CCCC12CC2 2272856481 XKEBHMHAAHMXHP-WRWORJQWSA-N 458.966 6.506 50 10 JKGE Cc1sc(Br)c([C@@H](Cl)Cc2cc(Br)cc(Br)c2)c1C 2277892709 WGQPRXOREUFOMH-LBPRGKRZSA-N 487.482 7.175 50 10 JKGE Brc1cc(Br)cc(C[C@H](Br)C23CCC(CC2)OC3)c1 2277952951 LSEVSLUGURBWMH-SLTAFYQDSA-N 453.012 5.477 50 10 JKGE COc1ccc([C@@H](Br)c2cc(F)c(Br)cc2Cl)c(Br)c1 2282899696 SDAFALOVBHTPOW-CQSZACIVSA-N 487.388 6.497 50 10 JKGE Clc1cc(Br)ccc1C[C@H](Cl)c1cc2sc(Br)cc2s1 2295491837 CHTYDVHAAWXXEK-JTQLQIEISA-N 471.066 7.664 50 10 JKGE Brc1ccc(OCc2ccccc2)c([C@@H](Br)[C@@H]2[C@@H]3CCCO[C@@H]32)c1 2299490494 ZBSJQMNJTKBSOF-QLIIJSOBSA-N 452.186 5.889 50 10 JKGE Clc1ccc([C@H](Br)c2ccc(OCc3ccccc3)cc2Br)cc1 2299495524 LIGYSAITSLNKEY-FQEVSTJZSA-N 466.600 7.166 50 10 JKGE C[C@@H]1C[C@@H]([C@H](Br)c2ccc(OCc3ccccc3)cc2Br)CCO1 2299532357 GCRODLNTBGAGDK-IIMJZQEZSA-N 454.202 6.279 50 10 JKGE CC[C@H](CC(F)(F)F)[C@H](Br)c1sc(Cl)cc1I 2300996934 BGRGHIUOXFDOPP-XRGYYRRGSA-N 461.512 6.421 50 10 JKGE Cc1ccc(C)c(NC(=O)C(C#N)=Cc2c(OCc3ccccc3F)ccc3ccccc23)c1 2313553174 OWEFPEUFROPRRA-UHFFFAOYSA-N 450.513 6.720 50 10 JKGE CCCOc1ccc(-c2nn(-c3ccccc3)cc2C=C(C#N)c2nc(O)c3ccccc3n2)cc1F 2314433773 SREPJNBYPYEALS-UHFFFAOYSA-N 491.526 6.180 50 10 JKGE N#CC(=Cc1ccc(-c2cc(C(F)(F)F)ccc2Cl)o1)c1nn(-c2ccccc2)c(N)c1C#N 2314482282 FQFJDIMYKCLAMH-UHFFFAOYSA-N 479.849 6.323 50 10 JKGE N#CC(=Cc1ccc(-c2cc(C(F)(F)F)ccc2Cl)o1)C(=O)Nc1ccc2ccccc2c1 2314487842 KSIRUKYZGSDEGK-UHFFFAOYSA-N 466.846 7.318 50 10 JKGE Cc1nn(C)c([C@H](Br)c2cc(Br)ccc2OCc2ccccc2)c1Cl 2314494321 HZPKFTYRHBXHGW-QGZVFWFLSA-N 484.619 6.208 50 10 JKGE CCCCCCCOc1ccc(C=C2C(=O)N([C@@H](C)c3ccccc3)C(=O)C(C#N)=C2C)cc1 2314617924 DDXTUWOUFZCSET-QFIPXVFZSA-N 456.586 6.389 50 10 JKGE Fc1c(Br)cc(Cl)c([C@H](Cl)c2csnc2Br)c1Br 2315446706 HSJWHFBQIAPIDO-MRVPVSSYSA-N 498.824 6.551 50 10 JKGE Fc1c(Br)cc(Cl)c([C@H](Cl)c2cscc2Cl)c1Br 2315447228 KWIIESBPDDZUFZ-SNVBAGLBSA-N 453.385 7.047 50 10 JKGE Clc1cc(I)c([C@@H](Br)c2cc3c(s2)CCCC3)s1 2316599451 QWMRLTDQSIAWOO-LBPRGKRZSA-N 473.626 6.431 50 10 JKGE Cc1cc(Br)c(F)c(Br)c1[C@H](Br)[C@@H]1C[C@@H]1C(F)F 2317424030 RQPVQIDKUGXRQT-QIOHGKGESA-N 450.918 5.996 50 10 JKGE Cc1nc(-c2ccc(F)cc2)ccc1C(=O)NN=Cc1cc(Cl)cc(Br)c1O 2321246465 LGAJLLORLPGUIT-UHFFFAOYSA-N 462.706 5.082 50 10 JKGE CC[C@H](C)[C@@H](C(O)=C(C#N)c1nc(-c2ccc(OC)c(C)c2)cs1)N1C(=O)c2ccccc2C1=O 2331260236 QVJMXVQHKOLIRD-WNSKOXEYSA-N 487.581 5.631 50 10 JKGE C[C@H](Oc1ccc(Cl)cc1Br)C(O)=C(C#N)c1nc(-c2ccccc2)cs1 2331304020 HKBICPCWPIMEKV-LBPRGKRZSA-N 461.768 6.486 50 10 JKGE CCOc1ccc(-c2csc(C(C#N)=C(O)C(=Cc3ccccc3)c3ccccc3)n2)cc1 2331305580 WDHJQSXCDBICBI-UHFFFAOYSA-N 450.563 7.242 50 10 JKGE COc1ccc(-c2csc(C(C#N)=C(O)CCCOc3ccc4ccccc4c3)n2)c2ccccc12 2331406367 DYXZQRPDEGRJHH-UHFFFAOYSA-N 492.600 7.777 50 10 JKGE CCOc1cc(C=C(C#N)c2nc(-c3ccccc3OC)cs2)ccc1OCc1ccccc1 2331434629 GRMLYTRZHBYHEY-UHFFFAOYSA-N 468.578 6.861 50 10 JKGE COc1cc(Br)cc(C=C(C#N)c2nc(-c3cccc4ccccc34)cs2)c1O 2331456814 JODOLNRXZCYWCT-UHFFFAOYSA-N 463.356 6.504 50 10 JKGE COc1cccc(C=C(C#N)c2nc(-c3c[nH]c4ccccc34)cs2)c1OCc1cccc(C)c1 2331461674 DRUUHPYLIGXXPB-UHFFFAOYSA-N 477.589 7.252 50 10 JKGE CCCOc1ccc(C=C(C#N)c2nc(-c3cc(Cl)ccc3Cl)cs2)cc1OCC 2331488664 NCBXJZGGBRQWON-UHFFFAOYSA-N 459.398 7.369 50 10 JKGE Brc1cc(OCc2ccccc2)ccc1[C@@H](Br)C[C@@H]1CCCCC12CC2 2336073151 SMBATPWDHSGRER-RXVVDRJESA-N 478.268 7.825 50 10 JKGE CC[C@](C)(C(F)F)[C@H](Br)c1c(C)c(Br)cc(C)c1Br 2336598227 YVCSVZFTIVVESS-OCCSQVGLSA-N 462.998 6.946 50 10 JKGE COc1cc(CC(CBr)(CBr)CC(C)C)c(Br)cn1 2336962431 ARHYZFOUVNZCTB-UHFFFAOYSA-N 458.032 5.218 50 10 JKGE Fc1c(Br)cc(Cl)c([C@@H](Br)C[C@H]2CC[C@@H]3C[C@H]23)c1Br 2337081623 ABDMEUPXMVVBSR-HXFLIBJXSA-N 475.421 6.876 50 10 JKGE Fc1c(Br)cc(Cl)c([C@@H](Br)[C@@H]2C[C@@H]2C(F)(F)F)c1Br 2337093639 HHDVBNGEDLMMTN-ZPLJKJSBSA-N 489.326 6.639 50 10 JKGE FC(F)Oc1ccc([C@@H](Br)c2sc(Cl)cc2I)cc1 2338558907 QEPYOXMYDCXKJY-SNVBAGLBSA-N 479.511 6.092 50 10 JKGE CCCC(CCC)[C@H](Br)c1c(C)cc(Br)c(F)c1Br 2339645371 HKWSWKMCWQIONG-ZDUSSCGKSA-N 459.035 7.312 50 10 JKGE CCCN[C@H](c1c(C)cc(Br)c(F)c1Br)[C@H]1C[C@H]1Br 2339651759 SERZABNVSVEKQK-QIBSRJKCSA-N 458.007 5.483 50 10 JKGE Cc1scc([C@@H](Br)c2csc3c(Br)cccc23)c1Br 2343556519 ZFIOVJSTWVVZLL-ZDUSSCGKSA-N 481.072 7.281 50 10 JKGE C[C@H](c1ccncc1F)[C@H](Br)c1c(Br)cccc1Br 2344699241 QUERLBFKOSLPTC-CLAHSXSESA-N 451.959 5.985 50 10 JKGE Fc1cc(Cl)c(Br)c(Cl)c1[C@H](Br)C(F)(F)[C@H]1CCOC1 2360426054 ICVCYSXOESUZDY-DYEAUMGKSA-N 456.911 6.003 50 10 JKGE Cc1ccc([C@@H](Cl)c2c(Cl)cc(Br)c(F)c2Br)cc1Cl 2362226473 VRGKDECDSCYPEJ-CYBMUJFWSA-N 461.383 7.294 50 10 JKGE Fc1c(Br)cc(Cl)c([C@H](Br)[C@@H]2CC23CC(F)(F)C3)c1Br 2362232425 OESGWJJXOZVKEV-SSDLBLMSSA-N 497.374 6.876 50 10 JKGE C[C@@]1(C2CC2)CN(c2cc(Cl)c(F)cc2CBr)CCN1Cc1ccccc1 2362398307 RPIJEZCGJDEMKX-QFIPXVFZSA-N 451.811 5.865 50 10 JKGE CCCc1sc(Br)cc1[C@@H](Br)c1cscc1S(C)(=O)=O 2363275984 VRRKLFZXKWUAGX-CYBMUJFWSA-N 458.262 5.412 50 10 JKGE COc1ccc([C@@H](Br)c2ccc(F)c(C)c2Cl)cc1I 2364114641 NLYHVSRIBFMKDH-CQSZACIVSA-N 469.519 5.885 50 10 JKGE COc1c(Br)cc(C)c([C@@H](Cl)c2c(Br)cnn2C)c1Br 2365176531 QPAMZVXQTCALQT-LLVKDONJSA-N 487.417 5.353 50 10 JKGE CCOc1ccccc1N/C(SCc1ccccc1C)=C(/C#N)C(=O)NCc1cccs1 3058952 DGBALNOYNRDJIC-NJNXFGOHSA-N 463.628 5.852 50 10 JKGE N#C/C(=C\c1ccc(-c2ccc(C(=O)OCc3ccccc3)cc2)o1)c1nc2ccccc2s1 15009516 RCCJASDOYQBXBS-CJLVFECKSA-N 462.530 6.977 50 10 JKGE CC[C@@H](Oc1ccc2ccccc2c1Br)C(=O)N/N=C/c1ccccc1C(F)(F)F 20572889 HPZRYUAAKKCGGG-WCNLIYRBSA-N 479.296 5.929 50 10 JKGE CC(C)(C)c1ccc(OCCn2cc(/C=C(/C#N)C(=O)NCc3cccs3)c3ccccc32)cc1 33330419 HRLVBDKQROEDFK-FXBPSFAMSA-N 483.637 6.303 50 10 JKGE CC(C)=CCC/C(C)=C/C[C@]12OC(C)(C)[C@H](Cl)C[C@@]1(Cl)C(=O)c1c(cc(O)c(C)c1O)C2=O 33984415 ZLFOHASQVSADOU-PDYGXZEDSA-N 495.443 6.391 50 10 JKGE in-vitro N#C/C(=C\c1ccc(-c2ccccc2)o1)C(=O)Nc1cc(C(F)(F)F)cc(C(F)(F)F)c1 39884883 RDBKOUNGXOBKIU-RIYZIHGNSA-N 450.338 6.530 50 10 JKGE N#C/C(=C\c1ccc(-c2ccc(Cl)cc2Cl)o1)c1nc(-c2cc3ccccc3oc2=O)cs1 39885052 ZNAMGTZLWPDELT-OQLLNIDSSA-N 491.355 7.547 50 10 JKGE O=C(NNc1ncnc(Nc2nc3ccccc3s2)c1[N+](=O)[O-])C(c1ccccc1)c1ccccc1 40645377 IFIVYMQCKYFYKK-UHFFFAOYSA-N 497.540 5.013 50 10 JKGE Cc1cc(C)c2c(CC(=O)N/N=C3\CCCc4oc(C(=O)N5CCCC[C@@H]5C)c(C)c43)coc2c1 40826823 JZLWGXYLHQCIKO-CLFRKSPNSA-N 475.589 5.365 50 10 JKGE C=CCc1cc(/C=N/NC(=O)c2cc3ccccc3o2)cc(OC)c1OCc1cccc2ccccc12 59304213 HXCAYFDUOVOBEP-BIZUNTBRSA-N 490.559 6.666 50 10 JKGE Cc1ccc(NC(=O)/C(C#N)=C\c2ccc(OCc3ccc(C(=O)O)cc3)c(Br)c2)cc1 59335212 MKAOZLAXQKRZPB-NDENLUEZSA-N 491.341 5.580 50 10 JKGE Cc1ccc(S(=O)(=O)n2cc(/C=C(/C#N)C(=O)Nc3c(C)cccc3C)c3ccccc32)cc1 89639201 GMZRJQVLMPQOCH-QNGOZBTKSA-N 469.566 5.349 50 10 JKGE C[C@@H]1CCCC[C@H]1NC(=O)[C@@H](c1ccc(Cl)cc1)N(CCC1=CCCCC1)C(=O)CCl 97914226 DIHSBQUXXFRPNO-IHLLOCCUSA-N 465.465 6.034 50 10 JKGE c1ccc(P(Cc2ccccc2CP(C2CCCCC2)C2CCCCC2)c2ccccc2)cc1 100215006 NANANDSCJFKRTL-UHFFFAOYSA-N 486.620 8.967 50 10 JKGE CC1=C(C#N)C(=O)N(C(C)C)C(=O)/C1=C/c1ccc(OCc2ccc(Cl)cc2Cl)cc1 101334035 WDUVHOVBLYLWRL-KEBDBYFISA-N 455.341 5.573 50 10 JKGE CC1=C(C#N)C(=O)N(CCCOC(C)C)C(=O)/C1=C/c1ccc(OCc2ccccc2Cl)cc1 101336343 XFEHEVISOCHBBR-HZHRSRAPSA-N 478.976 5.326 50 10 JKGE COC(=O)c1cc(OC)c(OC)cc1N/C=C(/C#N)c1nc(-c2ccc(CC(C)C)cc2)cs1 102421335 JEHCNCQVNKTXBE-RGEXLXHISA-N 477.586 5.789 50 10 JKGE CC(C)OC(=O)c1ccc(N/C=C(/C#N)c2nc(-c3cc4cc(Cl)ccc4oc3=O)cs2)cc1 102934501 RLFIDXQVQXVWTA-ATVHPVEESA-N 491.956 6.112 50 10 JKGE Clc1cccc(C[C@@H](Br)c2cc(Br)sc2Br)c1 109870139 JFAJYOBIKOYQAA-SNVBAGLBSA-N 459.428 6.605 50 10 JKGE CCOc1cc(Br)c([C@@H](Br)c2sccc2Br)cc1OCC 111536477 CPHBNJAUMFUVIR-CQSZACIVSA-N 499.062 6.555 50 10 JKGE FC(F)(F)c1cc(CBr)ccc1OCc1ccc(I)cc1 115901874 KNQDTURPKAABIG-UHFFFAOYSA-N 471.054 5.784 50 10 JKGE COc1c(C)cc(Br)c(C)c1[C@H](Cl)c1ccc(Br)c(Cl)c1 125627744 SIYRARRAYIUXFQ-OAHLLOKOSA-N 453.001 6.819 50 10 JKGE Cc1ccc([C@H](C(=O)N[C@@H]2CCC[C@@H](C)[C@@H]2C)N(Cc2ccccc2Cl)C(=O)CCl)cc1 169692632 SWGOBJYYRGBTBO-AAYSFUBESA-N 475.460 5.898 50 10 JKGE CC(C)(C)[Si](C)(C)OC[C@@H]1O[C@H](n2cnc3c(N)ncnc32)C[C@H]1O[Si](C)(C)C(C)(C)C 195803796 JEDIATUHRBNRLS-IKGGRYGDSA-N 479.774 5.108 50 10 JKGE CCCOc1ccccc1/C=C(/C#N)C(=O)Nc1scc(-c2ccc(C)cc2C)c1C(=O)OCC 207232135 MCJMETHKJZCHKU-QNGOZBTKSA-N 488.609 6.543 50 10 JKGE COc1cc(N/C=C(/C#N)C(=O)Nc2ccccc2Sc2ccccc2)c(OC)cc1Cl 217243912 ANQVNAAGVWIWHU-NXVVXOECSA-N 465.962 5.966 50 10 JKGE Cc1sc([C@H](Br)c2ccccc2I)cc1Br 227837522 VKKZVPUTPZWXPP-GFCCVEGCSA-N 471.983 5.908 50 10 JKGE Brc1cccc(C[C@H](Br)c2cc(Br)cc3c2OCC3)c1 228441756 GOLVFCPGTLYFSG-HNNXBMFYSA-N 460.991 5.825 50 10 JKGE CCOc1ccc([C@H](Br)c2cccc(Br)c2F)c(Br)c1 233791729 CDZKEVXOTOBXFC-AWEZNQCLSA-N 466.970 6.234 50 10 JKGE CCOc1ccccc1C(=O)NN=Cc1ccccc1OCc1cccc(Br)c1 252487109 RHMGFBYKCSMRRB-UHFFFAOYSA-N 453.336 5.191 50 10 JKGE C[C@H]1C[C@@H](O[C@](C)(CI)c2ccccc2Br)CC[C@H]1C 253139323 VXSUZUFVUJUHHI-XJIUQZFPSA-N 451.186 5.941 50 10 JKGE 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@]12C 254341180 IZWHBFBYKQEQAB-HBLDXHCRSA-N 467.576 7.842 50 10 JKGE COC(=O)c1ccc([C@@H]2Nc3ccc(C(C)=NNC(=O)c4ccccc4O)cc3[C@@H]3C=CC[C@H]32)cc1 254448543 IKEZOTBPZRETAX-LOYIFYEOSA-N 481.552 5.159 50 10 JKGE CC(C)c1cc(C(=O)NN=Cc2cn(Cc3ccc(F)cc3Cl)c3ccccc23)cs1 254746949 NDFLICDPZQYWGZ-UHFFFAOYSA-N 453.970 6.431 50 10 JKGE Clc1sc([C@@H](Br)c2sccc2I)cc1Br 306957799 UNHICMWQNDNAMU-SSDOTTSWSA-N 498.430 6.314 50 10 JKGE Cc1cc([C@H](Br)c2ccc(I)c(Cl)c2)c(C)cc1F 386314145 BOYAXYARUBVAES-OAHLLOKOSA-N 453.520 6.185 50 10 JKGE ClCc1nc2cc(I)ccc2n1Cc1ccsc1Br 388524046 BPGYDSXFXVHAOM-UHFFFAOYSA-N 467.557 5.252 50 10 JKGE Cc1cc(Br)c([C@@H](Cl)c2cscc2Br)cc1Br 404829138 HREYUFNIDHUVMT-GFCCVEGCSA-N 459.428 6.672 50 10 JKGE CC(C)(C)OC(=O)NCCN1CCO[C@H](c2cccc(CCO[Si](C)(C)C(C)(C)C)c2)C1 616649285 YOBSIQUJNRFEED-QFIPXVFZSA-N 464.723 5.149 50 10 JKGE COCc1cc(Br)c([C@H](Br)c2ccc(Br)c(Cl)c2)s1 688148322 UMDQHRLEHYJDIB-GFCCVEGCSA-N 489.454 6.557 50 10 JKGE FC1(F)CCC[C@@H]1C[C@@H](Br)c1cc(Br)sc1Br 713931096 NNIRTXSUSGMXHC-HTRCEHHLSA-N 452.984 6.535 50 10 JKGE COc1ccc([C@@H](Cl)c2ccc(I)c(Br)c2)c(Cl)c1 721606841 XNLQGYXRGHSOPR-AWEZNQCLSA-N 471.947 6.044 50 10 JKGE Cc1cc(C=NNC(=O)[C@H](C)SCc2ccccc2)c(C)n1-c1cccc(Cl)c1Cl 1083999867 PHFCQGANDKRSKY-KRWDZBQOSA-N 460.430 6.173 50 10 JKGE C=CCOc1ccc(-n2c(C)cc(C=NNC(=O)c3cc4cc(Br)ccc4o3)c2C)cc1 1084251956 UNKWHKNXEQHQMF-UHFFFAOYSA-N 492.373 5.932 50 10 JKGE COc1ccc(C=NNC(=O)c2ccc(NC(=O)c3ccc(C(C)(C)C)cc3)cc2)c2ccccc12 1084280915 ZHUVNWBCUJFZLB-UHFFFAOYSA-N 479.580 6.162 50 10 JKGE O=C(NN=C1C(=O)N(Cc2cccc3ccccc23)c2ccccc21)c1cccc2ccccc12 1084421151 IWKZHUCMZATYCD-UHFFFAOYSA-N 455.517 5.674 50 10 JKGE CC(C)(C)c1ccc(C(=O)NN=Cc2ccc(C=NNC(=O)c3ccc(C(C)(C)C)cc3)cc2)cc1 1084458416 QMJNHIVYQIIULX-UHFFFAOYSA-N 482.628 5.809 50 10 JKGE Fc1ccc(C(F)(F)F)cc1[C@H]1CN(Cc2ccccc2)C[C@@H]1CI 1614691804 ITCSZZZFHKZJDV-YOEHRIQHSA-N 463.256 5.495 50 10 JKGE Cc1c(C(=O)Nc2cccc(Cl)c2Cl)oc2c1C(=NNC(=O)COc1ccccc1)CCC2 1772748599 BJJXEINHULDQFQ-UHFFFAOYSA-N 486.355 5.383 50 10 JKGE N#CC1=C(N)Oc2c(c(-c3ccccc3)nn2-c2ccc(Br)cc2)[C@H]1c1ccccc1F 1865680976 BMPYEYWKRCCGCX-NRFANRHFSA-N 487.332 5.659 50 10 JKGE N#CC1=C(N)Oc2c(c(-c3ccccc3)nn2-c2ccc(Cl)c(Cl)c2)[C@H]1c1ccc(Cl)cc1 1865683150 HAWWUAUDQNYOAI-NRFANRHFSA-N 493.781 6.718 50 10 JKGE Cc1ccc([C@@H]2C(C#N)=C(N)Oc3c2c(C(F)(F)F)nn3-c2ccc(Cl)c(Cl)c2)cc1 1865686037 QNZKLUQARTWDKB-MRXNPFEDSA-N 465.262 5.725 50 10 JKGE CCCCCOc1ccc([C@@H]2C(C#N)=C(N)Oc3c2c(C)nn3Cc2cccc(Cl)c2)cc1OC 1865694794 BVBUVLACPLAJPT-RUZDIDTESA-N 493.007 5.689 50 10 JKGE CCOc1ccc([C@H]2C(C#N)=C(N)Oc3c2c(-c2ccccc2)nn3Cc2ccc(C)cc2)cc1OC 1865695415 OKRUAWVZCCWGBG-SANMLTNESA-N 492.579 5.532 50 10 JKGE CCCc1nn(-c2cccc3ccccc23)c2c1[C@@H](c1ccc(OC(C)C)c(OC)c1)C(C#N)=C(N)O2 1865697151 OGXOVNVBPOZHQI-MHZLTWQESA-N 494.595 5.992 50 10 JKGE COc1ccc(-c2nn(Cc3ccc(C)cc3)c3c2[C@H](c2ccccc2OC)C(C#N)=C(N)O3)cc1 1865710470 YUVIQLCJEDLZBI-RUZDIDTESA-N 478.552 5.142 50 10 JKGE CSCC[C@H](NC(=O)C[C@@H](c1ccc(C(C)C)cc1)C(C)C)C(=O)Nc1ccc(SC#N)cc1 1866741014 LJLQMYVYMGMDFW-RPBOFIJWSA-N 497.730 6.389 50 10 JKGE COc1cccc(-c2nc(Nc3ccc(SC#N)cc3)cc(N3CCO[C@H](c4cccnc4)C3)n2)c1 1868505545 HWUCJVLNCBWRIH-DEOSSOPVSA-N 496.596 5.442 50 10 JKGE Cc1cc(OCc2cccc(CCl)c2)cc2c1C(=O)/C(=C/c1ccc(Cl)c(Cl)c1)O2 1871437094 IJKKUOOJZVVYFO-YVNNLAQVSA-N 459.756 7.236 50 10 JKGE N#C/C(=C(/O)CCCCCN1C(=O)c2cccc([N+](=O)[O-])c2C1=O)c1nc(-c2ccccc2)cs1 1872747542 HXYCOCIUPHOUCK-UZYVYHOESA-N 488.525 5.368 50 10 JKGE CC[C@@H](C)[C@@H](/C(O)=C(\C#N)c1nc(-c2ccc(Cl)cc2)cs1)N1C(=O)c2ccccc2C1=O 1872748453 XYUSBCAUZLEKQR-UDGWVDNDSA-N 477.973 5.967 50 10 JKGE CC(C)(C)c1csc(/C(C#N)=C(\O)[C@H](Cc2ccccc2)N2C(=O)c3ccccc3C2=O)n1 1872748779 NHNQPJFMUPYPAW-UUZBPDLYSA-N 457.555 5.141 50 10 JKGE C[C@H](Oc1ccc(Cl)cc1Cl)/C(O)=C(\C#N)c1nc(-c2cc(Cl)ccc2Cl)cs1 1872758509 DOUXINKXHQFOLD-NSYNCBPISA-N 486.207 7.684 50 10 JKGE N#C/C(=C(/O)CCCOc1ccccc1Cl)c1nc(-c2cc(Cl)ccc2Cl)cs1 1872758519 DZHCMIHDYCHUQE-CYVLTUHYSA-N 465.789 7.422 50 10 JKGE COc1ccc(-c2csc(/C(C#N)=C(\O)c3ccc(N4CCCC4)c([N+](=O)[O-])c3)n2)c2ccccc12 1872758736 OBOZZOLRXONVCN-QLYXXIJNSA-N 498.564 6.430 50 10 JKGE COc1ccc(-c2csc(/C(C#N)=C(\O)c3ccc(-c4ccccc4)cc3)n2)c2ccccc12 1872758805 QWSGPJWESNKSBE-FVDSYPCUSA-N 460.558 7.589 50 10 JKGE COc1ccc(-c2csc(/C(C#N)=C/c3ccc(OC(=O)c4ccccc4)cc3)n2)cc1F 1872792022 ACMDSQUPUJTIPD-DEDYPNTBSA-N 456.498 6.241 50 10 JKGE COc1ccc(OC)c(-c2csc(/C(C#N)=C(\O)[C@@H](C)Oc3ccccc3C(C)C)n2)c1 1873920356 DWXULJGDEZIHJE-UVPKWBSNSA-N 450.560 6.211 50 10 JKGE C[C@]1(COc2c(Br)cc(Br)cc2CBr)CCCOC1 1877696978 NZJKASORBAIUHY-AWEZNQCLSA-N 457.000 5.302 50 10 JKGE FC(F)(CBr)[C@@H]1CCN(Cc2cccc(Br)c2Br)C1 1892732192 HHDYYUFLTXGBNC-SNVBAGLBSA-N 461.970 5.064 50 10 JKGE Cc1nsc(Br)c1[C@H](Br)c1cc(Cl)c(Br)cc1F 1912975654 CZUGWOPPGXRBSM-SNVBAGLBSA-N 478.406 6.253 50 10 JKGE C[C@H](CCl)N(Cc1ccccc1)C(=O)c1csc(Br)c1Br 1914204497 GTDRXPMVTJNHFL-SNVBAGLBSA-N 451.611 5.543 50 10 JKGE CC(C)[C@H](CBr)N(Cc1ccccc1)S(=O)(=O)c1ccc(Br)s1 1915291416 OLIZBPCPQOJWGR-AWEZNQCLSA-N 481.275 5.121 50 10 JKGE Brc1cc(Br)c([C@H](Br)C2Cc3ccccc3C2)s1 1922937248 APVYMEXFBUAZLG-CYBMUJFWSA-N 451.021 6.124 50 10 JKGE Clc1c(Br)sc(Br)c1[C@@H](Cl)[C@@H]1CCCc2ccccc21 1923066125 MAZHFZMTPVOSSU-PWSUYJOCSA-N 455.042 7.327 50 10 JKGE C[C@H](C1CCCC1)[C@H](Br)c1c(Br)sc(Br)c1Cl 1923876544 GCUHKMLUWIZCJE-MUWHJKNJSA-N 465.476 7.189 50 10 JKGE CC1(C)[C@H]2CC[C@@H](C2)[C@H]1[C@H](Cl)c1c(Br)sc(Br)c1Br 1924615397 AEVFKSXSIDQUIW-BGTQOLROSA-N 491.514 7.388 50 10 JKGE Fc1cc(Cl)c(Br)cc1[C@@H](Cl)c1csc(I)c1 1948499148 QRHVBZOPVKSTBS-NSHDSACASA-N 465.940 6.236 50 10 JKGE O=C(NC[C@@H](CCCC[C@@H]1CCSS1)C(=O)O)OCC1c2ccccc2-c2ccccc21 1951508208 WSVMBKSDIBMLAY-QZTJIDSGSA-N 471.644 5.940 50 10 JKGE CC(C)[C@H](CBr)N(Cc1ccccc1)Cc1cc(Cl)cc(Br)c1 1979519976 LNWCVGZRMDVYDB-IBGZPJMESA-N 459.653 6.524 50 10 JKGE COc1ccc([C@H](Br)c2cc(Br)c(Cl)s2)c(Br)c1 2052450093 JTCNGEHEETYVSW-NSHDSACASA-N 475.427 6.419 50 10 JKGE Cc1cc(Br)c(CBr)c(N(Cc2ccccc2)CC2CCCCC2)c1 2053213449 QLBRZFFKLKQKIO-UHFFFAOYSA-N 465.273 7.239 50 10 JKGE Cc1cc(Br)c(C)c([C@@H](Cl)c2ccoc2Br)c1Br 2081063250 YTUVWKOBJYRWGQ-LBPRGKRZSA-N 457.387 6.512 50 10 JKGE Cc1cc(Cl)c([C@H](Br)c2scc(Br)c2Br)cc1Cl 2081588181 DSHNOLOSTQJSAH-JTQLQIEISA-N 493.873 7.373 50 10 JKGE Cc1cc([C@H](Br)c2cc(Br)c(Cl)cc2C)c(Br)s1 2082387090 IHIXYVJVAUMJMF-GFCCVEGCSA-N 473.455 7.028 50 10 JKGE Cc1sc(Br)c([C@H](Cl)c2cc(Br)cc(Br)c2)c1C 2082873182 ICHATNHSKJQZOC-GFCCVEGCSA-N 473.455 6.981 50 10 JKGE CCC[C@@H](CCBr)CNC(=O)c1cccc(Br)c1Br 2092339872 JRRJKASKLDSZQB-JTQLQIEISA-N 456.016 5.143 50 10 JKGE C[C@@H]1CCC[C@@H]1CC(CBr)(CBr)c1ccccc1Br 2093454810 RJDFKPDWGMDHLD-CHWSQXEVSA-N 453.056 6.303 50 10 JKGE Fc1cc(Cl)c(Br)cc1[C@@H](Br)c1ccc(Br)c(Cl)c1 2097835594 TWNZUEAMIBUOBB-ZDUSSCGKSA-N 491.807 7.142 50 10 JKGE Brc1ccc(CC[C@H](Br)CC2CCCCC2)c(Br)c1 2099483925 UWMZODBUBHNBHZ-AWEZNQCLSA-N 453.056 6.878 50 10 JKGE CC(C)(C)C[C@@H](CBr)CNC(=O)c1cc(Br)sc1Br 2100106017 HRKNBRLJWCHAGU-QMMMGPOBSA-N 476.072 5.450 50 10 JKGE Cn1nc([C@H](Cl)c2cc(Br)c(Cl)cc2F)c(Br)c1Cl 2110719933 IWNIINDDNOSBGA-SECBINFHSA-N 451.348 5.719 50 10 JKGE COc1cc(F)c(Br)cc1[C@@H](Br)c1nc(C)sc1Br 2113184556 GMVSLIPVHCURKK-SNVBAGLBSA-N 473.987 5.609 50 10 JKGE Clc1ccc(I)c(CC[C@@H](Br)c2ccccc2Cl)c1 2113480327 AYKQDHAOVMKTQB-CYBMUJFWSA-N 469.975 6.667 50 10 JKGE CCc1cscc1[C@@H](Br)c1c(C)c(Br)cc(C)c1Br 2136373581 DCDFCBMGYBVODG-OAHLLOKOSA-N 467.064 6.937 50 10 JKGE COc1cc(F)c([C@H](Br)c2ccccc2Br)cc1Br 2138162305 SVNGYOQZRJOCPL-CQSZACIVSA-N 452.943 5.844 50 10 JKGE Cc1cc(Br)c(F)c([C@H](Br)c2c(Br)sc(C)c2C)c1 2138267061 IKFKXYCEYPGWRR-LBPRGKRZSA-N 471.027 6.822 50 10 JKGE COc1ccc([C@H](Br)c2ccccc2I)c(Cl)c1Cl 2138642383 MCOUZBWRDLLCEQ-GFCCVEGCSA-N 471.947 6.091 50 10 JKGE FC1(F)[C@@H]2CC[C@H]([C@H](Br)c3ccc(Br)cc3Br)C[C@H]21 2138866990 QSTLUNOGAHISEB-ODDDBGHMSA-N 458.966 6.329 50 10 JKGE BrCC(CBr)(Cc1cc(Br)sn1)C1CCCCCC1 2139781459 VXOVVLZJZXCWBJ-UHFFFAOYSA-N 474.100 6.195 50 10 JKGE Clc1cc([C@@H](Cl)c2cc(Br)c3c(c2)CCO3)ccc1I 2146622187 RGGJDNWNTSOPFD-CQSZACIVSA-N 483.958 5.970 50 10 JKGE CC(C)(C)[C@@H]1CC[C@@H](Br)[C@@H](Cc2cccc(Br)c2Br)C1 2148754597 VPMJSMJQMKCTCD-BFHYXJOUSA-N 467.083 6.980 50 10 JKGE Cc1sc(Br)cc1[C@@H](Br)c1cc2nc(O)[nH]c2cc1Br 2152048593 XIJCAFNQEBKEMU-GFCCVEGCSA-N 481.007 5.648 50 10 JKGE Cc1nn(-c2cc(C(F)(F)F)ccc2CBr)c(C)c1I 2155775583 WRRSPECFZVBGPQ-UHFFFAOYSA-N 459.047 5.007 50 10 JKGE Brc1ccc(O[C@@H]2C[C@@H](Br)[C@@]23CCCC32CC2)c(Br)c1 2173659628 PNLRPZRLQADNLT-FMKPAKJESA-N 465.023 6.077 50 10 JKGE CC(C)(C)c1nc(-c2ncc(Br)cc2Br)ncc1CBr 2183839653 HUPTUJABLWIGKI-UHFFFAOYSA-N 463.999 5.256 50 10 JKGE CCOc1ccc(Br)cc1[C@@H](Br)c1c(C)nn(C)c1Br 2185750068 MBRNYDSNUSJYSX-CYBMUJFWSA-N 466.999 5.137 50 10 JKGE COc1cc(C)c([C@H](Br)c2c(C)cccc2Br)cc1Br 2198737614 QYBAHMLQOTWTRL-INIZCTEOSA-N 463.007 6.321 50 10 JKGE Cc1cc(Br)c(C)c([C@@H](Cl)c2c(Br)c(C)nn2C)c1Br 2201080772 ZWYMAXBBJQUIEQ-CYBMUJFWSA-N 485.445 5.961 50 10 JKGE Cc1cc(Br)c([C@H](Br)c2scc(C)c2C)cc1Br 2218832099 RQXNNZWBVYBYTP-ZDUSSCGKSA-N 453.037 6.683 50 10 JKGE Clc1cc(Br)ccc1C[C@H](Br)c1cccc(OCc2ccccc2)c1 2221698945 CDOMZOCKXWVKMW-FQEVSTJZSA-N 480.627 7.360 50 10 JKGE Cc1ccc(I)c([C@H](Cl)c2c(Cl)sc(Br)c2Cl)c1 2224056608 ZLFVMCFIVPMUQP-VIFPVBQESA-N 496.422 7.059 50 10 JKGE O=S1(=O)CC[C@@H]([C@@H](Br)c2c(Br)cc(Cl)c(Cl)c2Cl)C1 2224303701 YXPBUPQPJFHKAV-MLUIRONXSA-N 471.425 5.280 50 10 JKGE ClCc1nc2cc(Br)c(Cl)cc2n1C[C@@H]1CC1(Br)Br 2224800439 HPGPWTBEWOUVPK-LURJTMIESA-N 491.836 5.697 50 10 JKGE Cc1sc([C@H](Cl)c2scc(C(F)(F)F)c2Br)cc1Br 2226081973 JOTNAICSOJKACQ-VIFPVBQESA-N 454.558 6.990 50 10 JKGE Cc1ccc([C@@H](Br)c2c(Br)cc(C)c(Br)c2C)cc1C 2235599173 LAOJKBFDXOQXRI-QGZVFWFLSA-N 461.035 6.930 50 10 JKGE Cc1cc(Br)c([C@H](Cl)c2cc(Br)ccc2F)c(C)c1Br 2235601997 BYGUOJIWTGXDER-OAHLLOKOSA-N 485.416 7.058 50 10 JKGE Cc1cc(Br)c([C@@H](Br)c2cccc(F)c2Cl)c(C)c1Br 2235603865 LAGHHHUCAPWMRZ-AWEZNQCLSA-N 485.416 7.105 50 10 JKGE Cc1sc(Br)c([C@H](Br)c2ccc3c(c2Br)CCO3)c1C 2238065956 GNIILLOGPXCMDG-CQSZACIVSA-N 481.047 6.309 50 10 JKGE FC(F)(F)Oc1ccc(Cl)cc1[C@H](Br)c1ccsc1Br 2239619105 VURQRGDUIFOSQB-SNVBAGLBSA-N 450.501 6.547 50 10 JKGE Cc1cc(Cl)c(Br)cc1[C@H](Br)c1scc(Br)c1Cl 2253596531 BMOZDXSMEWTFHC-JTQLQIEISA-N 493.873 7.373 50 10 JKGE COc1cc([C@H](Br)c2sc(C)c(C)c2Br)ccc1Br 2264425153 SYYVZQDVJHEWCC-ZDUSSCGKSA-N 469.036 6.383 50 10 JKGE COc1cc(OC)c([C@H](Br)c2cscc2Br)cc1Br 2278037513 SWIMGAPNBMQELI-ZDUSSCGKSA-N 471.008 5.775 50 10 JKGE COc1ccc([C@@H](Br)c2cc(Cl)c(Br)s2)c(Cl)c1OC 2283449041 MIXQTWYYRMJOPK-SNVBAGLBSA-N 461.002 6.319 50 10 JKGE COc1ccc([C@@H](Cl)c2sc(C)c(Br)c2C)c(Br)c1Cl 2283561885 NLABLNUGLJCLRG-GFCCVEGCSA-N 459.030 6.880 50 10 JKGE FC1(F)[C@H]([C@H](Br)c2ccc(OCc3ccccc3)cc2Br)C12CC2 2299507348 FMQIIZVKSLXGBE-IAGOWNOFSA-N 458.140 6.509 50 10 JKGE CCCN[C@@H](c1cc(Br)ccc1OCc1ccccc1)[C@@H]1C[C@H]1Br 2299525438 NTHWVIOEXVQMJM-YVWKXTFCSA-N 453.218 5.852 50 10 JKGE ClC[C@H](OCc1ccc(Cl)cc1I)[C@@H](Br)CCl 2301825009 IDDGXUBODKTIMF-ONGXEEELSA-N 472.375 5.071 50 10 JKGE FC(F)(F)[C@H]1C[C@@H]([C@H](Br)c2cc(Br)c(Br)s2)C1 2307503450 ODZDLNGFGOFFEU-UUEMRFSQSA-N 456.947 6.298 50 10 JKGE Cc1c(Cl)cccc1[C@H](Br)c1ccc(OCc2ccccc2)cc1Br 2314448123 FEZDJAWPGVGPCP-NRFANRHFSA-N 480.627 7.474 50 10 JKGE N#CC(=Cc1ccc(N2N=C(c3ccccc3)C[C@H]2c2ccccc2)cc1)C(=O)NCCc1ccccc1 2314482622 PZCGIOMBQNTLOO-YTTGMZPUSA-N 496.614 6.308 50 10 JKGE CCOc1ccc(N2C(=O)[C@H](Cc3ccccc3)SC2=C(C#N)C(=O)Nc2ccc(C)cc2)cc1 2314592189 NNNKILCZRJVWJS-VWLOTQADSA-N 483.593 5.459 50 10 JKGE C[C@@H]1CCO[C@H]1[C@@H](Br)c1c(Cl)cc(Br)c(F)c1Br 2315449848 VMFAFBLULINQQJ-NIPJOMRPSA-N 465.382 5.865 50 10 JKGE Cc1cc(Br)c(F)c(Br)c1[C@H](Br)c1csnc1C 2317401645 UUMWQDBAKZRZDT-SNVBAGLBSA-N 457.988 5.908 50 10 JKGE Cc1cc(Br)c(F)c(Br)c1[C@@H](Br)[C@@]1(Cl)CC1(C)C 2317410092 GRVZSSKDSKUGDJ-YPMHNXCESA-N 463.410 6.503 50 10 JKGE CO[C@]1(C(F)F)C[C@H]([C@@H](Br)c2sc(Cl)cc2I)C1 2320067162 POQMVJZNVOMMRO-MEQXXCBNSA-N 471.532 5.502 50 10 JKGE CC(C)c1ccc(C=NNC(=O)CSc2nc(O)c3c(-c4ccccc4)csc3n2)cc1 2320486445 SXRHZSMXPYVTBP-UHFFFAOYSA-N 462.600 5.430 50 10 JKGE Cc1ccc(C)c(-c2csc(C(C#N)=C(O)CCCN3C(=O)c4cccc([N+](=O)[O-])c4C3=O)n2)c1 2331320163 LDNZNCUWKIKRQM-UHFFFAOYSA-N 488.525 5.204 50 10 JKGE Cc1ccc(-c2csc(C(C#N)=C(O)[C@H](C)Oc3ccc(Cl)cc3Br)n2)cc1C 2331382931 YTTPLYJKHCWXKL-AWEZNQCLSA-N 489.822 7.103 50 10 JKGE COc1cc(C=C(C#N)c2nc(-c3ccc(C)cc3C)cs2)ccc1OCCc1ccccc1 2331443517 XMIHTGMOGXQOCK-UHFFFAOYSA-N 466.606 7.121 50 10 JKGE CCN(Cc1ccccc1)c1ccc(C=C(C#N)c2nc(-c3ccc4c(c3)OCCO4)cs2)cc1 2331452226 VKQQZJRVBGAHRZ-UHFFFAOYSA-N 479.605 6.672 50 10 JKGE CCCCCOc1ccc(C=C(C#N)c2nc(-c3ccc(OC)c(C)c3C)cs2)cc1OCC 2331467432 QKDKMCGUGDPQEP-UHFFFAOYSA-N 476.642 7.467 50 10 JKGE Clc1ccc(CN2CC[C@@]3(CCC[C@H]3Br)C2)cc1I 2337226298 WTHNWXHEMOQBFM-CABCVRRESA-N 454.577 5.084 50 10 JKGE Cc1ccc(Oc2cc(Br)cc(I)c2)c(CCl)c1Cl 2338885283 OUPOHVKVAVHYBV-UHFFFAOYSA-N 471.947 6.547 50 10 JKGE COc1c(Br)cc(C)c([C@H](Br)[C@]23CCC[C@H]2C3)c1Br 2339654214 QHGGZZQKXPJYKI-LNHVQRHZSA-N 453.012 6.155 50 10 JKGE COc1c(Br)cc(C)c([C@@H](Br)C(C)(C)C(C)C)c1Br 2339654558 AVVHYLIWSXDDJR-CQSZACIVSA-N 457.044 6.647 50 10 JKGE Cc1cc(Br)c(F)c(Br)c1[C@@H](Br)CC[C@@H]1CC1(C)C 2339682183 PQNRIKOTDLCIEM-ZJUUUORDSA-N 457.019 6.921 50 10 JKGE Cc1cc(Br)c(F)c(Br)c1[C@H](Br)[C@H]1CCO[C@@H](C)C1 2339684755 CHZYUHHRVFVBKQ-HOTUBEGUSA-N 458.991 5.910 50 10 JKGE ClCc1cc(OCc2c(Br)cccc2Br)ncc1Br 2340579506 DVVIHMXNBZJARA-UHFFFAOYSA-N 470.386 5.687 50 10 JKGE ClC[C@H]1CCC[C@H](CNCc2ccc(I)c(Br)c2)C1 2349829406 OJDXMPMIPBYVEC-RYUDHWBXSA-N 456.593 5.189 50 10 JKGE Fc1cc(Cl)c(Br)c(Cl)c1[C@@H](Cl)c1cccc(Br)c1F 2360429299 NQHYYULTZIOAQD-NSHDSACASA-N 465.346 7.125 50 10 JKGE Fc1c(Br)cc(Cl)c([C@H](Br)[C@H]2CCC[C@@H]2C(F)F)c1Br 2362226293 YGRLTYMCBTVUQS-JFWOZONXSA-N 499.390 7.122 50 10 JKGE Clc1ccc(C[C@]2(CBr)CCCCC23CCC3)cc1I 2362378644 IXCOEQVUDNLIDV-KRWDZBQOSA-N 467.616 6.613 50 10 JKGE Fc1cc(CBr)c(N2CCN(Cc3ccccc3)C[C@H]2C(F)(F)F)cc1Cl 2362382748 IOGUKVZATZRABZ-SFHVURJKSA-N 465.716 5.627 50 10 JKGE COc1cc([C@H](Cl)c2csc(Br)c2Br)c(OC)cc1Cl 2363531791 BLWWOTJXAHHSKR-LBPRGKRZSA-N 461.002 6.272 50 10 JKGE COc1c(Br)cc(C)c([C@H](Br)[C@H]2CC[C@@H]3C[C@@H]3C2)c1Br 2365235023 KMAXLZNMOGEHJZ-FBKDDSFISA-N 467.039 6.401 50 10 JKGE COc1ccc(C=NNC(=O)[C@@H]2C[C@H]2c2ccc(C(C)(C)C)cc2)cc1CSCc1ccco1 8456130 BTWZRGKWCWWHCQ-LOSJGSFVSA-N 476.642 6.273 50 10 JKGE C/C(=N\NC(=O)c1ccc(NC(=O)c2ccccc2C)cc1)c1ccc(Br)cc1 12578767 GQXNVULYYYEZHI-WGOQTCKBSA-N 450.336 5.164 50 10 JKGE O=C(COc1ccc(-c2ccccc2)cc1)NN=C(/C=C/c1ccccc1)/C=C/c1ccccc1 13982043 VYAMIZUZSXKGSB-NWILIBCHSA-N 458.561 6.631 50 10 JKGE Cc1ccc(C(=O)Oc2ccc(/C=C(/C#N)C(=O)Nc3ccccc3C(F)(F)F)cc2)cc1 33406760 KBICUZVQWRGCBP-RGEXLXHISA-N 450.416 5.779 50 10 JKGE CC1(C)[C@]2(C)CC[C@@]1(C(=O)Oc1ccc3ccccc3c1Br)[C@@H]2Br 33514181 NJOIFJGMJDCQBR-AHRSYUTCSA-N 452.186 6.098 50 10 JKGE CCCCCN1C(=O)C(C#N)=C(C)/C(=C\c2ccc(-c3ccc(Br)cc3)o2)C1=O 38603871 NNEFEAWNIYASOM-CPNJWEJPSA-N 453.336 5.492 50 10 JKGE CC(C)Oc1ccc(C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@H]3c2cccc(Cl)c2)cc1 38651202 YJMLWVFSMMXUJI-DEOSSOPVSA-N 460.917 5.565 50 10 JKGE N#CC1=C(N)Oc2cc(OC(=O)c3ccccc3Br)ccc2[C@H]1c1ccc(Cl)cc1 38651295 VMHJIWKDYRPNIR-OAQYLSRUSA-N 481.733 5.540 50 10 JKGE COc1ccc(OC)c([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)Cc4cccc5ccccc45)ccc32)c1 38659870 NYHOFCVAOUSNKM-GDLZYMKVSA-N 492.531 5.223 50 10 JKGE Cc1c(C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@H]3c2cccc([N+](=O)[O-])c2)oc2ccccc12 38688133 IOTBCMOQTUWYSW-QHCPKHFHSA-N 467.437 5.087 50 10 JKGE CCCOc1cccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4cc5ccccc5oc4=O)ccc32)c1 38700980 KFRRPYHNZGMBDS-SANMLTNESA-N 494.503 5.019 50 10 JKGE O=C(NNc1ncnc(Nc2ccc(/N=N/c3ccccc3)cc2)c1[N+](=O)[O-])c1ccccc1[N+](=O)[O-] 40645898 RBMIHHKBZIKQFZ-BYYHNAKLSA-N 499.447 5.209 50 10 JKGE COc1cc(/C=C(/C#N)C(=O)NCc2cccs2)ccc1OCc1c(F)cccc1Cl 59202352 AMQQMLGSMJQFSC-YBEGLDIGSA-N 456.926 5.352 50 10 JKGE C#CCOc1c(Cl)cc(/C=N/NC(=O)c2ccc(-n3c(C)ccc3-c3ccccc3)cc2)cc1OC 59305222 ODEYSBVJDLNCDV-ZCTHSVRISA-N 497.982 5.891 50 10 JKGE CCc1ccc(-c2csc(/C(C#N)=C\c3ccc(OCc4ccccc4)c(OC)c3)n2)cc1 102938198 JLTDCKWCNOBELL-IWIPYMOSSA-N 452.579 7.024 50 10 JKGE Fc1cc(Br)cc([C@@H](Cl)c2cc(Br)sc2Br)c1 109825124 JDEHNAMPUFPCJD-SNVBAGLBSA-N 463.391 6.503 50 10 JKGE CCOc1ccc([C@H](Br)c2cccc(Br)c2C)c(Br)c1 123745388 NEHNYSISDDPUIU-MRXNPFEDSA-N 463.007 6.403 50 10 JKGE COc1cc([C@H](Br)Cc2ccc(Br)cc2)c(OC)cc1Br 134298964 MMLRHTFBFVQGCE-CYBMUJFWSA-N 479.006 5.908 50 10 JKGE CC(C)(C)c1ccc(Cn2cccc(C(=O)N/N=C\c3ccc(Cl)cc3Cl)c2=O)cc1 169921198 MHJQFPYXZAPDAV-VYYCAZPPSA-N 456.373 5.265 50 10 JKGE C=CCOc1ccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)/C=C\c4ccc(C)cc4)ccc32)cc1OC 205654132 MHFOMZFLIZIUOO-YDRHHQOTSA-N 494.547 5.405 50 10 JKGE Cc1cc(I)ccc1N/C=C(/C#N)C(=O)Nc1cccc(Cl)c1Cl 217126264 DXABRVCVOHNXOP-LUAWRHEFSA-N 472.113 5.365 50 10 JKGE Cc1cc(I)ccc1NC(=O)/C(C#N)=C\Nc1ccc(Nc2ccccc2)cc1 217254062 BFHNHTDBKADEDG-ICFOKQHNSA-N 494.336 5.801 50 10 JKGE CCOc1ccc([C@H](Br)c2cccc(Br)c2Cl)c(Br)c1 228453905 QZVDOLNLKJVENZ-AWEZNQCLSA-N 483.425 6.748 50 10 JKGE C[C@@H]1CCCC[C@@H]1NC(=O)[C@H](c1ccc(Cl)cc1)N(CCc1ccccc1)C(=O)CCl 230274990 CEMAYZVIVXQAJG-OUOWLKGYSA-N 461.433 5.386 50 10 JKGE BrCc1ccc(Oc2ccccc2I)cc1Br 232487156 FXVCJPIWSMBTCZ-UHFFFAOYSA-N 467.926 5.741 50 10 JKGE Clc1ccc([C@@H](Br)c2cc(I)ccc2Br)cc1 236062334 VMUHTHNUEWEOGX-CYBMUJFWSA-N 486.372 6.191 50 10 JKGE Fc1ccc([C@H](Cl)c2cc(Br)cc(Br)c2)cc1Br 236262946 OVJKURIQFVFBMN-ZDUSSCGKSA-N 457.362 6.441 50 10 JKGE C[C@H](NC(=O)N[C@@H]1CC(C)(C)C[C@](C)(CN=C=O)C1)C1(c2ccc(Br)cc2)CC1 243936831 RVKLWLHLMJKZSF-DKZVUGQWSA-N 462.432 5.089 50 10 JKGE CC(C)(C)OC(=O)N1C[C@@H](CBr)[C@@H](c2ccc(Br)c(Cl)c2)C1 382687611 MDAWXGCGKQRXDJ-VXGBXAGGSA-N 453.602 5.448 50 10 JKGE Cc1ccc(Cl)cc1[C@H]1CN(C(=O)OCc2ccccc2)C[C@H]1CI 382737134 XORWLCROTOPEBC-APWZRJJASA-N 469.750 5.436 50 10 JKGE COc1ccc(Br)cc1[C@@H](Br)c1ccccc1OCc1ccccc1 385877286 BDMPVXSJHMUFSF-NRFANRHFSA-N 462.181 6.521 50 10 JKGE Cl[C@@H](c1csc(I)c1)c1cc(Br)cc2c1OCCC2 688404152 IXSPYRYHDSSDIV-ZDUSSCGKSA-N 469.569 5.768 50 10 JKGE Fc1ccc([C@H](Br)c2cccc(I)c2)c(F)c1Br 691540902 LNCNDFMOADWKJN-LLVKDONJSA-N 487.907 5.816 50 10 JKGE Cn1nc(CC(CBr)(CBr)c2cccc(Br)c2)cc1Cl 706183000 JIEZTDQIRLBSSR-UHFFFAOYSA-N 485.445 5.106 50 10 JKGE COc1ccc(Br)cc1[C@H](Br)c1ccc(C)c(Br)c1C 719545559 NRNDXJNZDRJTGG-MRXNPFEDSA-N 463.007 6.321 50 10 JKGE COc1ccc(Cl)cc1[C@H](Cl)c1ccc(I)c(Br)c1 721603505 MJQPALNZUAAZQO-CQSZACIVSA-N 471.947 6.044 50 10 JKGE C=CCc1cc(/C=C(\C#N)C(=O)Nc2ccc(C)cc2)ccc1OCc1cccc2ccccc12 1084077602 AIRAHAFGOWJPOO-ZXVVBBHZSA-N 458.561 7.001 50 10 JKGE COc1cc(C=NNC(=O)c2ccc(CSCc3ccccc3)cc2)ccc1OCc1ccccc1 1084229172 KBOYHKHSZNQNCR-UHFFFAOYSA-N 496.632 6.472 50 10 JKGE Cc1cc(C)cc(OCC(=O)NN=C2C(=O)N(Cc3c(Cl)cccc3Cl)c3ccccc32)c1 1084247237 BNWWDEQTKUBSFY-UHFFFAOYSA-N 482.367 5.056 50 10 JKGE Cc1cc(C=NNC(=O)c2ccc(CSCc3ccccc3)cc2)c(C)n1-c1ccccc1Cl 1084591886 KSVUTUDZNMWZGP-UHFFFAOYSA-N 488.056 6.945 50 10 JKGE Cc1ccc(COc2ccc(C=NNC(=O)COc3ccc(C(C)(C)CC(C)(C)C)cc3)cc2)cc1 1772753848 LJYPMMXQHYYMER-UHFFFAOYSA-N 486.656 6.817 50 10 JKGE O=C(CSc1nc2ccccc2s1)NN=Cc1cccc(OCc2ccccc2F)c1 1772760632 ZWGFMTSJCTXJNW-UHFFFAOYSA-N 451.548 5.257 50 10 JKGE CCCc1nn(-c2ccc(Cl)c(Cl)c2)c2c1[C@H](c1ccc(C(C)(C)C)cc1)C(C#N)=C(N)O2 1865682608 SQOPKNIVPQUQDY-JOCHJYFZSA-N 481.427 6.647 50 10 JKGE CCc1nn(Cc2ccc(Cl)c(Cl)c2)c2c1[C@@H](c1ccccc1Cl)C(C#N)=C(N)O2 1865685132 GBGMIEOLKXQSMX-IBGZPJMESA-N 459.764 5.672 50 10 JKGE CCCc1nn(-c2ccccc2)c2c1[C@@H](c1ccc(OCc3ccccc3)c(OC)c1)C(C#N)=C(N)O2 1865687607 VUQCSKZLDBTNGQ-MHZLTWQESA-N 492.579 5.631 50 10 JKGE CCCc1nn(CC(C)C)c2c1[C@@H](c1ccccc1OCc1ccccc1Cl)C(C#N)=C(N)O2 1865703398 VDMBAHFOHXFOCO-DEOSSOPVSA-N 477.008 5.942 50 10 JKGE CCC[C@H](NC(=O)Cc1nc(-c2cccc(Cl)c2)oc1C)C(=O)Nc1ccc(SC#N)cc1 1866663397 SVKJDZHXGJYROJ-FQEVSTJZSA-N 482.993 5.343 50 10 JKGE Cc1ccc2nc3c(cc2c1)CCN3c1cc(Nc2ccc(SC#N)cc2)nc(-c2ccccc2)n1 1868364928 IJWLSBYUQYJAMQ-UHFFFAOYSA-N 486.604 7.011 50 10 JKGE Cc1oc2cc(OCc3cccc(CCl)c3)ccc2c(=O)c1Oc1ccccc1Br 1871437045 GXMHDJZCAOSAST-UHFFFAOYSA-N 485.761 6.974 50 10 JKGE Cc1oc2cc(OCc3cccc(CCl)c3)ccc2c(=O)c1-c1ccc2c(c1)OCCCO2 1871437292 QENFTJYRFIDKIC-UHFFFAOYSA-N 462.929 6.248 50 10 JKGE C[C@H](Oc1ccc(Cl)cc1)/C(O)=C(\C#N)c1nc(-c2ccc(Oc3ccccc3)cc2)cs1 1872754047 ZXEXWDJTRQGURD-KZIRDTCISA-N 474.969 7.516 50 10 JKGE CCOc1ccc(-c2csc(/C(C#N)=C(\O)[C@H](C)Oc3ccc(Cl)cc3)n2)c(OCC)c1 1872755500 QRIMGRSCUKFBLG-DCBSDEPNSA-N 470.978 6.521 50 10 JKGE Cc1ccc(C(C)(C)C)cc1-c1csc(/C(C#N)=C(\O)CCCOc2ccc(Cl)cc2)n1 1872755869 KHBMRKYTDAOQOF-GYHWCHFESA-N 467.034 7.721 50 10 JKGE COc1ccc(C/C(O)=C(\C#N)c2nc(-c3ccc(OC)c4ccccc34)cs2)c(OC)c1 1872758862 UKQBBDIPLKBOBW-LNVKXUELSA-N 458.539 6.024 50 10 JKGE Cc1ccc(-c2csc(/C(C#N)=C/c3ccc(OCc4ccc(Cl)cc4)cc3)n2)c(C)c1 1872790348 CBUGBRGMDBQLRR-HYARGMPZSA-N 456.998 7.724 50 10 JKGE CCCCCOc1ccc(/C=C(\C#N)c2nc(-c3cc(C(C)(C)C)ccc3OC)cs2)cc1 1872793240 PICOMKVIMZNRTA-LTGZKZEYSA-N 460.643 7.749 50 10 JKGE N#C/C(=C\c1cc2c(cc1[N+](=O)[O-])OCCO2)c1nc(-c2cc(Cl)ccc2Cl)cs1 1872795014 ILEIKNULLPXPQV-LFYBBSHMSA-N 460.298 5.860 50 10 JKGE Brc1cc(C[C@@H]2CCCC[C@@H]2Br)ccc1I 1904328919 YLHPVGMAMHUICS-QWRGUYRKSA-N 457.975 5.550 50 10 JKGE COc1ccc(Br)cc1[C@H](Br)c1c(C)nsc1Br 1912972272 HDFRCRHYMMZQOV-NSHDSACASA-N 455.997 5.469 50 10 JKGE C[C@@H](CCCl)N(Cc1ccccc1)C(=O)c1cc(Br)sc1Br 1915079972 HRLIZBHFIHJNII-NSHDSACASA-N 465.638 5.933 50 10 JKGE CC(C)[C@H](CBr)N(Cc1ccccc1)S(=O)(=O)c1cc(Cl)cc(Cl)c1 1915296241 RTJGYQJOATUTFK-SFHVURJKSA-N 465.240 5.604 50 10 JKGE CC(C)(CCl)N(Cc1ccccc1)C(=O)c1ccc(I)c(Cl)c1 1915788041 KFWMXVGDNQEASL-UHFFFAOYSA-N 462.158 5.604 50 10 JKGE COc1cc(Br)c(C)cc1[C@H](Br)c1cc(C)c(Br)o1 1917616769 ICGROVKFAHKVQU-ZDUSSCGKSA-N 452.968 5.914 50 10 JKGE COCC1([C@H](Br)c2sc(Br)cc2Br)CCCCC1 1922893844 HXPHMNGOYNTSDP-GFCCVEGCSA-N 461.057 6.306 50 10 JKGE O=C(N[C@@H](CBr)CC1CCCC1)c1csc(Br)c1Br 1926739923 GNEGNINEWNMUNI-SECBINFHSA-N 474.056 5.347 50 10 JKGE Cl[C@H](c1c(Br)sc(Br)c1Br)[C@@H]1C2C[C@@H]3C1[C@@H]3C2 2016551803 HSJFDZLTBDVFQB-NMRWBPFSSA-N 461.444 6.218 50 10 JKGE Cc1nc(C[C@@H](Br)c2cc(Br)sc2Br)sc1C 2025971789 IMVGQRWVNDOYLL-MRVPVSSYSA-N 460.054 6.025 50 10 JKGE O=C(N[C@H]1CCCCC[C@H]1Br)c1csc(Br)c1Br 2032953063 BSMBGDAVFPMIIH-BDAKNGLRSA-N 460.029 5.099 50 10 JKGE CC(C)n1cc(S(=O)(=O)N(CCN(C)Cc2ccccc2)Cc2ccccc2)cc1CCl 2034747446 CNDUYIMMBXALEO-UHFFFAOYSA-N 474.070 5.131 50 10 JKGE Brc1cc([C@@H](Br)c2ccccc2C2CC2)c(Br)s1 2042274095 YVNUUGCBQUJCII-ZDUSSCGKSA-N 451.021 6.635 50 10 JKGE CC(C)(C)OC(=O)NCCSSCCN[C@@H]1CN(C(=O)OC(C)(C)C)C2(CCCCC2)C1 2061261606 BCLWRAIGKFMMGN-SFHVURJKSA-N 489.748 5.194 50 10 JKGE CC[C@H](CC(F)(F)F)[C@H](Br)c1ccc(Br)cc1Br 2083311832 MSIKXVDDJDZHGJ-HQJQHLMTSA-N 452.934 6.626 50 10 JKGE FC(F)(F)C1CC([C@@H](Br)c2ccc(Br)cc2Br)C1 2083324074 YXWGRHCEDBHDFY-UAAUVXIDSA-N 450.918 6.236 50 10 JKGE Cl[C@H](c1cc2sccc2s1)c1ccc(Br)cc1I 2086145992 UFIARMUDOPNREQ-ZDUSSCGKSA-N 469.594 6.658 50 10 JKGE CCc1sc(Br)cc1[C@H](Br)c1ccc(Br)cc1OC 2090683084 ZEUVTYPOACQHAC-CQSZACIVSA-N 469.036 6.328 50 10 JKGE FC1(F)C2(CCC2)[C@@]1(CBr)Cc1ccc(Br)cc1Br 2093475175 YOPDURKCHXSSFU-ZDUSSCGKSA-N 458.966 5.955 50 10 JKGE Fc1ccc(Oc2c(CBr)ccc(Br)c2Cl)c(Br)c1 2098116330 IIHVCQQSQWCBPR-UHFFFAOYSA-N 473.361 6.691 50 10 JKGE C[C@]1(C(F)(F)F)C[C@@]1(CBr)Cc1ccc(Br)cc1Br 2105514284 RADDXCABHJOTMG-NWDGAFQWSA-N 464.945 6.108 50 10 JKGE Brc1ccc(C[C@H]2CCCCCCC[C@H]2Br)c(Br)c1 2112483459 HOJMEKOCIMBKES-IUODEOHRSA-N 453.056 6.878 50 10 JKGE Fc1cc(Br)cc(N2CC[C@H]3CC[C@@H](C2)N3Cc2ccccc2)c1CBr 2114264933 VJGZYGHCSPKDDV-MSOLQXFVSA-N 482.235 5.726 50 10 JKGE CO[C@H]1C[C@H]([C@@H](Cl)c2c(Br)sc(Br)c2Cl)C[C@H]1OC 2118286093 ORKGHWVSWAVOLK-JAGXHNFQSA-N 453.023 5.646 50 10 JKGE FC(F)(C1CCOCC1)[C@H](Br)c1c(Cl)sc(Br)c1Cl 2128895908 KXFNCSUVOQVPER-MRVPVSSYSA-N 458.977 6.315 50 10 JKGE BrCc1cc(Br)c(OC[C@H]2C3C[C@@H]4C2[C@@H]4C3)c(Br)c1 2134439460 WMHCQWHBLMPGFU-KQJQQVTASA-N 450.996 5.387 50 10 JKGE Fc1cc(Br)c([C@H](Br)c2ccc(Br)cc2)c(F)c1Cl 2136967198 RJERXGDFOLICBW-LLVKDONJSA-N 475.352 6.628 50 10 JKGE CC(C)(C)[C@H]1C[C@@H](CBr)CN(C(=O)c2cscc2OCc2ccccc2)C1 2165003425 VZWMUTZNCIQDMN-ROUUACIJSA-N 450.442 5.846 50 10 JKGE COc1cc(C)c(Br)cc1[C@H](Br)c1c(Cl)cccc1Br 2169463099 MMFAUZFFRZICJG-HNNXBMFYSA-N 483.425 6.666 50 10 JKGE O=C(c1ccc(Br)cc1Br)N1C[C@H](Br)CCC12CCC2 2174539595 GCABQAXQWKVKMS-LLVKDONJSA-N 466.011 5.134 50 10 JKGE C[C@]1(CC(CBr)(CBr)c2ccc(Br)cc2)CCCOC1 2192686839 KPLIUOXCYPRFIV-OAHLLOKOSA-N 469.055 5.684 50 10 JKGE Cc1cc(Br)c(C)c([C@H](Br)C2C[C@@H]3CCC[C@H]3C2)c1Br 2201070449 BPYMZQKWPWPAMQ-NVGCLXPQSA-N 465.067 7.091 50 10 JKGE Fc1ccc(CO[C@@H](CI)c2ccc(Cl)cc2)c(Br)c1 2206263607 BCIXLMSELHREMW-HNNXBMFYSA-N 469.519 5.935 50 10 JKGE Cc1c(Br)sc([C@H](Br)c2cccc(I)c2)c1C 2213618174 DTMQYGJKNVNHDR-LLVKDONJSA-N 486.010 6.216 50 10 JKGE CCOCc1cc(Br)c([C@@H](Cl)c2sccc2I)s1 2217987288 HPVKJBQXDAUZNM-SNVBAGLBSA-N 477.614 6.041 50 10 JKGE Cn1cc(Br)c([C@H](Br)Cc2ccc(Br)cc2Cl)n1 2221705116 XQFSJCJBKCMGHR-SECBINFHSA-N 457.391 5.277 50 10 JKGE Clc1c(Br)sc(Br)c1[C@H](Br)C1C[C@H]2CCC[C@H](C1)C2 2225306176 PZDFIUQEJMAKED-DKCNOQQISA-N 491.514 7.579 50 10 JKGE COc1ccc([C@@H](Cl)c2cc(Br)c(Br)cc2F)cc1Br 2233969221 ICPIWRQCIYURCH-CQSZACIVSA-N 487.388 6.450 50 10 JKGE CC[C@H](C)NCc1cc(Br)c(OC[C@H]2C[C@@H]2Br)c(Br)c1 2240226927 ZEIHPMCMPDSDES-WCQGTBRESA-N 470.043 5.262 50 10 JKGE Cc1cc([C@H](Br)c2ccc([C@@H]3CCOC3)s2)ccc1I 2240437727 WIAMKTUMDAWLAA-WBMJQRKESA-N 463.178 5.649 50 10 JKGE C[C@@H](CCBr)N(Cc1ccccc1)C(=O)c1cc(F)c(Br)cc1F 2247935096 IWDQTPQAZQQYAU-LBPRGKRZSA-N 461.144 5.543 50 10 JKGE CCc1cc([C@@H](Cl)c2c(F)cccc2I)sc1Br 2255979289 LBJUACJXPNHSNV-GFCCVEGCSA-N 459.549 6.145 50 10 JKGE COCC1([C@H](Br)c2sc(Br)cc2Br)CC(F)(F)C1 2263686459 KPIJJTAOUUEPEL-SECBINFHSA-N 468.983 5.771 50 10 JKGE COc1ccc([C@H](Br)c2c(F)cccc2Cl)cc1I 2269539961 FWHYEGSCJRGEOM-AWEZNQCLSA-N 455.492 5.577 50 10 JKGE COc1ccc([C@H](Cl)c2c(F)cccc2Br)cc1I 2269548968 XBAHPJUEWBXNTA-AWEZNQCLSA-N 455.492 5.530 50 10 JKGE COc1cc(C)c(Br)c(C)c1[C@H](Br)c1cocc1Br 2270461925 WAKBPFZVFQHMHW-CQSZACIVSA-N 452.968 5.914 50 10 JKGE CS(=O)(=O)c1cscc1[C@H](Br)c1c(Cl)sc(Br)c1Cl 2272867438 HRAIREQZKFWBCM-ZETCQYMHSA-N 485.071 5.767 50 10 JKGE Fc1ccc(I)cc1[C@@H](Cl)c1cc2sc(Br)cc2s1 2278018176 AXDNBFDUYJATMA-CYBMUJFWSA-N 487.584 6.797 50 10 JKGE COc1c(Br)cc(Cl)cc1[C@@H](Cl)c1cccc(F)c1I 2279036746 JFBUDOOYNHGOGS-LBPRGKRZSA-N 489.937 6.183 50 10 JKGE Cc1cc(Br)c([C@@H](Cl)c2ccc(Br)cc2Br)c(C)c1F 2279155829 CNZJETGZIHGKRB-AWEZNQCLSA-N 485.416 7.058 50 10 JKGE COc1ccc([C@@H](Br)C(C(F)(F)F)C(F)(F)F)cc1I 2284996781 CHPCUYHXYFOXLD-MRVPVSSYSA-N 476.980 5.477 50 10 JKGE COc1cc(C)c([C@@H](Br)c2cc(Br)sc2Br)c(OC)c1 2287085641 SIYYUSCWNCIKTF-ZDUSSCGKSA-N 485.035 6.083 50 10 JKGE CC1([C@@H](Br)c2c(F)cc(Br)c(F)c2Br)CCCCCC1 2288482005 CIVQEAGSGQXQCG-AWEZNQCLSA-N 475.009 7.286 50 10 JKGE BrCc1cc(Br)cc(Br)c1OC[C@@]12CCCC[C@@H]1CC2 2289150787 AQMFKFJYEHOMHT-WBMJQRKESA-N 467.039 6.456 50 10 JKGE CCOC(=O)C(C#N)=C1S[C@@H](Cc2ccc(Cl)c(Cl)c2)C(=O)N1c1ccc(C)cc1 2293039220 QGQUJNCKRJHLAB-IBGZPJMESA-N 461.370 5.291 50 10 JKGE COc1ccc(CCNC(=O)C(C#N)=Cc2cccn2Cc2ccc(Cl)cc2Cl)cc1OC 2295672264 HQCJIOZTCOHRFL-UHFFFAOYSA-N 484.383 5.126 50 10 JKGE Cc1ccc(CCl)cc1NC(=O)c1cc(Br)ccc1I 2296108692 GLWBEEOVMQXEMV-UHFFFAOYSA-N 464.528 5.353 50 10 JKGE CCCCCOc1ccc(C=C(C#N)C(=O)Nc2sc(C)c(C)c2C(=O)OC)cc1OC 2296818091 JGLQCXHVYIJGON-UHFFFAOYSA-N 456.564 5.275 50 10 JKGE Cc1ccc(C)c(OCCn2cc(C=C(C#N)C(=O)N3CCc4ccccc4C3)c3ccccc32)c1 2297456490 UJRJYHZVRAYICR-UHFFFAOYSA-N 475.592 5.829 50 10 JKGE N#CC(=Cc1ccc(OCc2ccccc2)cc1)C(=O)Nc1ccc(Br)cc1F 2297551413 IKMBAPIIEDOXPI-UHFFFAOYSA-N 451.295 5.713 50 10 JKGE N#CC(=Cc1ccc(-c2ccc(Br)cc2)o1)C(=O)Nc1ccc(Br)cc1F 2297551430 JPZMKCSUPSUKKQ-UHFFFAOYSA-N 490.126 6.156 50 10 JKGE C[C@@]1([C@@H](Br)c2ccc(OCc3ccccc3)cc2Br)CCCCO1 2299495623 RFNXVKTZGMAFQA-PMACEKPBSA-N 454.202 6.423 50 10 JKGE CC(C)[C@H](C)[C@H](Br)c1c(Cl)cc(Br)c(F)c1Br 2300172403 QIQAXXCJNBUMEX-WKEGUHRASA-N 451.399 6.732 50 10 JKGE Brc1cc(Br)cc(CO[C@H]2CCCC[C@@H]2I)c1 2300174274 ORYIVKUIRMEZEY-STQMWFEESA-N 473.974 5.474 50 10 JKGE Clc1cc(Br)c(CC(CBr)(CBr)C2CCC2)s1 2304893294 UZLUMTFMDBVBPQ-UHFFFAOYSA-N 465.476 6.283 50 10 JKGE C[C@@H]1CC[C@H](Cc2ccc(I)c(Br)c2)C[C@@H]1Br 2306199155 JGDMYNTXJHLITL-FOGDFJRCSA-N 472.002 5.796 50 10 JKGE N#CC(=Cc1ccc(Oc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])cc1)C(=O)Nc1cccc(Cl)c1Cl 2313570956 KBSMIKDMVXGJRP-UHFFFAOYSA-N 499.266 6.148 50 10 JKGE Fc1ccc(Br)c([C@H](Cl)c2cc(Br)ccc2OCc2ccccc2)c1 2314450345 YHJXVTHDDXWITB-FQEVSTJZSA-N 484.590 7.258 50 10 JKGE Cc1c(Cl)sc(Cl)c1[C@@H](Cl)c1ccc(I)c(Cl)c1 2314515162 YMDCZZFQJSSWKC-JTQLQIEISA-N 451.971 6.950 50 10 JKGE Cc1c(Cl)sc(Cl)c1[C@@H](Br)c1c(Br)cccc1Br 2314519773 AMDSGMHTVSSXCX-SNVBAGLBSA-N 493.873 7.373 50 10 JKGE CCOc1ccc(N2C(=O)[C@@H](Cc3ccccc3)SC2=C(C#N)C(=O)Nc2ccccc2OC)cc1 2314591719 CCQWTXFUXPVCMD-RUZDIDTESA-N 499.592 5.159 50 10 JKGE CCCCCCCCOc1ccc(C=C2C(=O)N(CCCC)C(=O)C(C#N)=C2C)cc1OC 2314610360 GLEHAIPKLXYLMG-UHFFFAOYSA-N 452.595 5.827 50 10 JKGE CCOc1ccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)C=Cc4ccccc4Cl)ccc32)cc1 2314640717 PZPZHXMLILNSAS-SANMLTNESA-N 472.928 5.576 50 10 JKGE CCCOc1ccccc1C=C(C#N)C(=O)Oc1ccc(C(=O)Nc2cc(Cl)ccc2Cl)cc1 2314773888 IFFCHQGQATZPPI-UHFFFAOYSA-N 495.362 6.547 50 10 JKGE Fc1c(Br)cc(Cl)c([C@H](Cl)c2cc(Br)co2)c1Br 2315444017 QKPJPPSIOYWNEV-SNVBAGLBSA-N 481.768 6.688 50 10 JKGE CCC[C@@H]1C[C@H]1[C@H](Br)c1c(Cl)cc(Br)c(F)c1Br 2315447843 SPHXJHFHLNLGCG-AMXGMDGSSA-N 463.410 6.876 50 10 JKGE CC[C@H](C(C)C)[C@@H](Br)c1c(Cl)cc(Br)c(F)c1Br 2315457277 AXOXPQPBYHLQBS-RDDDGLTNSA-N 465.426 7.122 50 10 JKGE Fc1cc(F)c([C@H](Br)c2sc(Cl)cc2I)cc1F 2316601649 WAQLDDNLKVHLLY-JTQLQIEISA-N 467.475 5.908 50 10 JKGE Cc1c(Cl)sc(Cl)c1[C@H](Br)c1c(Br)c(Br)nn1C 2316832766 QBOUSGOXBJJSRM-YFKPBYRVSA-N 497.865 6.106 50 10 JKGE COc1cc(Cl)c(C)cc1NC=C(C#N)C(=O)Nc1ccc(I)cc1C 2318462728 OLAPOXYCTYHHLO-UHFFFAOYSA-N 481.721 5.028 50 10 JKGE Cc1ccc(CBr)c(OCc2ncc(Br)s2)c1Br 2327798376 GRFYBPBKGPQAJR-UHFFFAOYSA-N 455.997 5.450 50 10 JKGE N#CC(=Cc1ccc(Cl)cc1)C(=O)Nc1ccc(Br)cc1I 2329652763 FCIOKRQBIFDWIR-UHFFFAOYSA-N 487.522 5.253 50 10 JKGE COc1cc(C=CC(O)=C(C#N)c2nc(-c3ccc4c(c3)CCCC4)cs2)cc(OC)c1OC 2331240113 RKHJOAKTTOPQMF-UHFFFAOYSA-N 474.582 6.221 50 10 JKGE CCCCc1ccc(-c2csc(C(C#N)=C(O)[C@@H]3CC(=O)N([C@@H](C)c4ccccc4)C3)n2)cc1 2331255996 MLSCTQKRUWYZBP-WMZHIEFXSA-N 471.626 6.555 50 10 JKGE N#CC(=C(O)CCCOc1ccc(Cl)cc1Cl)c1nc(-c2ccc3c(c2)OCO3)cs1 2331334702 CGHJZBVODJXPBX-UHFFFAOYSA-N 475.353 6.497 50 10 JKGE COc1cc(C)c(-c2csc(C(C#N)=C(O)C=Cc3ccc(C(C)(C)C)cc3)n2)cc1C(C)C 2331353978 VFTTWMIAKFFBSY-UHFFFAOYSA-N 472.654 8.054 50 10 JKGE COc1cc(-c2csc(C(C#N)=C(O)Cc3ccc(OC)c(OC)c3)n2)c(OC)cc1Cl 2331377058 CVZOSIUEHTYKEW-UHFFFAOYSA-N 472.950 5.533 50 10 JKGE COc1c(C)cc(Cl)cc1-c1csc(C(C#N)=C(O)[C@@H](C)Oc2ccc(C(C)C)cc2)n1 2331392327 RMMXVCBVEFNKPG-MRXNPFEDSA-N 469.006 7.164 50 10 JKGE CCCCc1ccc(-c2csc(C(C#N)=Cc3ccccc3OCc3ccc(Cl)cc3)n2)cc1 2331429270 KRBQYBUQOXSZJC-UHFFFAOYSA-N 485.052 8.449 50 10 JKGE Fc1cc(Br)c(F)c(Br)c1[C@@H](Br)[C@H]1CCC[C@@H]2C[C@H]12 2334739806 QKSDZDCCKAJSCG-VXDIOVFMSA-N 458.966 6.362 50 10 JKGE Brc1cc(OCc2ccccc2)ccc1[C@@H](Br)c1csc2c1CCCC2 2336084845 XLALSVUAEWBLAF-JOCHJYFZSA-N 492.276 7.453 50 10 JKGE Clc1cc(OCc2cc(Br)cc(Br)c2)ccc1CBr 2337071622 UWUNQYICPWYJBH-UHFFFAOYSA-N 469.398 6.339 50 10 JKGE CCCN[C@H](c1c(Cl)cc(Br)c(F)c1Br)[C@@H]1C[C@@H]1Br 2337093546 GJTSSXFCURFNRL-HHSDFAELSA-N 478.425 5.828 50 10 JKGE Clc1ccc(COc2ccc(CBr)cc2Cl)cc1I 2337277559 VGDWHOXOOMKTDP-UHFFFAOYSA-N 471.947 6.072 50 10 JKGE COc1sccc1[C@@H](Br)c1c(C)cc(Br)c(F)c1Br 2339653383 ISELZOWROWBCOK-SNVBAGLBSA-N 472.999 6.214 50 10 JKGE Cc1cc(Br)c(F)c(Br)c1[C@H](Cl)c1nn(C)cc1Br 2339687382 UTGLCYSNINMSQM-JTQLQIEISA-N 475.381 5.483 50 10 JKGE Cc1cc(Br)c(F)c(Br)c1[C@@H](Br)[C@@H]1C[C@H]2CC[C@@H]1C2 2339688335 GFLLXHUZQKBZNP-WTBMIXGQSA-N 455.003 6.531 50 10 JKGE CCC[C@@H](O[C@@](C)(CI)CN(CC)C(=O)OC(C)(C)C)c1ccccc1 2340542822 VSGYYRLZLQNWCA-NQIIRXRSSA-N 475.411 5.995 50 10 JKGE Cl[C@@H](c1cc2c(s1)CCCCC2)c1ccc(OCc2ccccc2)cc1Br 2361195451 PMPQKNGCNOXSGG-HSZRJFAPSA-N 461.852 7.687 50 10 JKGE FC(F)(F)c1ccc([C@H](Cl)c2sc(Cl)cc2I)cc1Cl 2363892576 VNZDAHYTYAHTIX-JTQLQIEISA-N 471.496 7.007 50 10 JKGE C[C@@H](Br)CN(C(=O)c1cccc(Br)c1Br)C1CCCC1 2368865649 NANLWLFGMQNUBQ-SNVBAGLBSA-N 468.027 5.380 50 10 JKGE Cc1ccc(Br)cc1COc1c(CBr)ccc(C)c1Br 2380658123 AFZJXGBLCSDFJL-UHFFFAOYSA-N 463.007 6.302 50 10 JKGE N#C/C(C(=O)NCCc1ccccc1)=C1\S[C@@H](Cc2ccccc2Cl)C(=O)N1c1ccccc1 2311712 TXBRBMYFUFTBRY-ABPPERTMSA-N 488.012 5.125 50 10 JKGE O=C(NC1CCCCCC1)[C@H](c1ccc(Cl)cc1)N(Cc1ccc2c(c1)OCO2)C(=O)CCl 3038778 JYSOVKRZQXRTBQ-DEOSSOPVSA-N 491.415 5.216 50 10 JKGE CC(C)CCOc1cccc(C(=O)NNC(=O)CCCOc2ccc(Cl)cc2Cl)c1 14644601 BNEGSBIRFXMXLO-UHFFFAOYSA-N 453.366 5.039 50 10 JKGE COc1cc(/C=C(\C#N)c2ccc(Cl)cc2)ccc1OC(=O)/C=C\c1cccc([N+](=O)[O-])c1 33377656 GTWFZCBOEPPKSF-QWZUDCHSSA-N 460.873 5.940 50 10 JKGE CCCc1cc(C(=O)OC)c(NC(=O)/C(C#N)=C\c2ccccc2OCc2ccccc2F)s1 34988596 UKYTVIACHUAZSQ-UYRXBGFRSA-N 478.545 5.751 50 10 JKGE CCOc1cccc(C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@H]3c2ccc(C(C)C)cc2)c1 38649603 ZNZXBRGOUUHFNG-SANMLTNESA-N 454.526 5.646 50 10 JKGE CCc1ccc(OCC(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@@H]3c2ccc(C(C)C)cc2)cc1 38649627 DZZOXYLZCXTZIW-MUUNZHRXSA-N 468.553 5.575 50 10 JKGE C=CCOc1cccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)COc4ccc(Cl)cc4)ccc32)c1 38684522 DGZNQZIEYGFJHU-SANMLTNESA-N 488.927 5.107 50 10 JKGE CCCCOc1cccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4ccccc4OCCC)ccc32)c1 38685245 UTXXVGJFBFBYME-NDEPHWFRSA-N 498.579 6.092 50 10 JKGE COc1ccccc1[C@H]1C(C#N)=C(N)Oc2cc(OC(=O)c3oc4c(C)c(C)ccc4c3C)ccc21 38687280 OMUZJHCMLRCGQY-RUZDIDTESA-N 480.520 5.804 50 10 JKGE O=C(NNc1ncnc(Oc2cccc3ccccc23)c1[N+](=O)[O-])c1cccc2ccccc12 40583528 UNYDASDLJKRYKY-UHFFFAOYSA-N 451.442 5.240 50 10 JKGE Nc1c(NNC(=O)c2cccc3ccccc23)ncnc1Nc1ccc(Oc2ccccc2)cc1 40793361 ZTNKFZPFXFSYAV-UHFFFAOYSA-N 462.513 5.505 50 10 JKGE Cc1ccc(NC(=O)c2oc3c(c2C)/C(=N/NC(=O)c2cncc(Br)c2)CCC3)c(C)c1 40822931 XWJLEYMVJTYHPO-TURZUDJPSA-N 495.377 5.085 50 10 JKGE C/C(=N/NC(=O)COc1cccc(Br)c1)c1ccc2c(c1)Nc1ccccc1S2 59574312 CZJLEZURSJDTPT-QFEZKATASA-N 468.376 5.577 50 10 JKGE COc1ccc(Br)c(C[C@H](CBr)Cc2ccccc2Br)c1 97185904 MLPLSEZISJCETC-GFCCVEGCSA-N 477.034 6.017 50 10 JKGE Cc1cc(Br)c([C@@H](Br)c2cc(C)c(C)s2)cc1Br 128761901 GAXWDFJJMRIOQM-CQSZACIVSA-N 453.037 6.683 50 10 JKGE Cc1cc(Br)c([C@H](Br)c2ccc3c(c2)OCCO3)cc1Br 128813708 UALYECGBBHHQFD-MRXNPFEDSA-N 476.990 5.776 50 10 JKGE Clc1cc([C@H](Br)c2cc3c(cc2Cl)OCCO3)ccc1Br 129173217 LRZQJFBYLPKXCE-HNNXBMFYSA-N 452.957 6.011 50 10 JKGE COc1cc([C@@H](Br)c2ccc(Br)c(Cl)c2)c(OC)cc1Br 134297824 NRBBIGNWFPVTOG-HNNXBMFYSA-N 499.424 6.367 50 10 JKGE COc1ccc(CN2C(=O)C(C#N)=C(C)/C(=C/c3ccc(OCc4ccc(C)cc4)cc3)C2=O)cc1 214397805 SHBMLWNNUSWAFI-YUMHPJSZSA-N 478.548 5.375 50 10 JKGE O=[N+]([O-])c1cc(Br)c(Oc2ccc(CBr)cc2)c(Br)c1 218282295 RQKJBMXMDMNUGU-UHFFFAOYSA-N 465.923 5.807 50 10 JKGE CCN(C[C@@](C)(CI)OCc1ccccc1Cl)C(=O)OC(C)(C)C 303741110 GMZFYPUQDGZIKR-GOSISDBHSA-N 467.775 5.307 50 10 JKGE Cl[C@H](c1cc(Br)cc(Br)c1)c1cc2c(cc1Br)OCC2 308440113 WQZLEAWRNWEKFH-OAHLLOKOSA-N 481.409 6.237 50 10 JKGE Fc1c(Cl)cccc1[C@@H](Br)c1cc(I)cc2c1OCC2 312413622 XJFLLZMLWNVYGC-CYBMUJFWSA-N 467.503 5.503 50 10 JKGE CCC[C@@H]1CC[C@H](Br)[C@@H](Cc2cc(Cl)ccc2I)C1 405341087 MWWUEEMNMJFZEF-JMSVASOKSA-N 455.605 6.467 50 10 JKGE CC(C)(C)OC(=O)NCCN1CCCOC[C@H]1c1ccccc1CO[Si](C)(C)C(C)(C)C 616598352 XAEUZJFNRFJQHM-QFIPXVFZSA-N 464.723 5.497 50 10 JKGE CC(C)(C)[Si](C)(C)OCCN1CCOCC[C@@H]1c1ccc(CO[Si](C)(C)C(C)(C)C)cc1 616655967 OIKKPBLTLOCSGG-XMMPIXPASA-N 479.854 6.994 50 10 JKGE CC(C)(C)[Si](C)(C)OCCN1CCCO[C@H](c2cccc(CO[Si](C)(C)C(C)(C)C)c2)C1 616682274 XBZQCYQFJJGUNI-DEOSSOPVSA-N 479.854 6.994 50 10 JKGE C[C@@]1(Cn2c(CCl)nc3ccc(F)c(Br)c32)CCN(Cc2ccccc2)C1 689795367 SFVDRPLUKGOXBZ-OAQYLSRUSA-N 450.783 5.589 50 10 JKGE Fc1cc([C@@H](Br)Cc2ccccc2Br)c(F)cc1Br 692439827 LTFCIIAPJGPJRC-NSHDSACASA-N 454.934 6.169 50 10 JKGE Cc1cc(Br)c([C@H](Cl)c2ncsc2Br)cc1Br 698627985 XDZIMIYISPZHNJ-VIFPVBQESA-N 460.416 6.067 50 10 JKGE CCc1cc(C)sc1[C@H](Br)c1scc(Br)c1Br 705420959 UVQOVSQUUCPWBZ-JTQLQIEISA-N 459.066 6.690 50 10 JKGE Fc1ccc(N2CCC3(CCN(Cc4ccccc4)CC3)C2)c(CBr)c1Cl 705714657 DXMZJNUCHMBGFM-UHFFFAOYSA-N 451.811 5.867 50 10 JKGE Cc1ccc([C@@H](Cl)c2cc(Cl)ccc2I)c(C)c1Br 719578487 UMZZXUOVBMSUJH-OAHLLOKOSA-N 469.975 6.652 50 10 JKGE Cc1c(/C=C(\C#N)C(=O)Nc2cccc(Cl)c2Cl)c2ccccc2n1Cc1ccccc1 1083952882 LTJQXXIDCAKMEI-XMHGGMMESA-N 460.364 6.851 50 10 JKGE Cc1cccc(NC(=O)NN=Cc2cc(Br)c(Sc3ccc(Cl)cc3)o2)c1C 1084150591 VNNVDUKEIXIMHC-UHFFFAOYSA-N 478.799 6.619 50 10 JKGE C[C@@H](Sc1ccc(Cl)cc1)C(=O)NN=Cc1ccc(OCc2ccc(Cl)cc2)cc1 1084313455 WVMICBLVYWSRBX-MRXNPFEDSA-N 459.398 6.203 50 10 JKGE O=C(CC[C@H](O)c1ccccc1)NN=Cc1cc(Br)ccc1OCc1ccc(F)cc1 1084396535 PKEKTGZNNHKRLG-QFIPXVFZSA-N 485.353 5.131 50 10 JKGE CCCCCCCCCCOc1ccc(C(=O)NN=Cc2cc(C(C)C)c(OC)cc2C)cc1 1084438684 CSZNMQGWTZTGFT-UHFFFAOYSA-N 466.666 7.410 50 10 JKGE Cc1cccc(C=NNC(=O)c2ccc(-c3ccc(C(=O)NN=Cc4cccc(C)c4)cc3)cc2)c1 1084564144 OTJZWCXLDRTRRQ-UHFFFAOYSA-N 474.564 5.498 50 10 JKGE S=c1ssc(SSc2ssc(=S)c2-c2ccccc2)c1-c1ccccc1 1615948924 RZZNZBIEIWPQAW-UHFFFAOYSA-N 482.814 9.525 50 10 JKGE CC(C)(C)c1ccc([C@@H]2C(C#N)=C(N)Oc3c2c(C(F)(F)F)nn3Cc2cccc(Cl)c2)cc1 1865682423 NZRRBQGFAORCPO-LJQANCHMSA-N 486.925 6.119 50 10 JKGE COc1ccc(-c2nn(-c3ccccc3)c3c2[C@@H](c2cccc4ccccc24)C(C#N)=C(N)O3)cc1 1865682859 YZXUATDDIJUGJO-SANMLTNESA-N 470.532 5.919 50 10 JKGE CCCCOc1ccc([C@@H]2C(C#N)=C(N)Oc3c2c(CCC)nn3Cc2ccccc2)cc1OCC 1865686982 GRYLMAGCKAPQHR-AREMUKBSSA-N 486.616 5.680 50 10 JKGE CCCOc1ccc([C@H]2C(C#N)=C(N)Oc3c2c(C)nn3-c2ccc(Cl)c(Cl)c2)cc1OCC 1865688359 QHFDQXQLGWVXHK-QHCPKHFHSA-N 499.398 5.893 50 10 JKGE CCCc1nn(CC(C)C)c2c1[C@@H](c1ccc(OCc3ccccc3)c(OCC)c1)C(C#N)=C(N)O2 1865694386 UMFMBGODEPWWMC-SANMLTNESA-N 486.616 5.687 50 10 JKGE CCCOc1c(OC)cccc1[C@@H]1C(C#N)=C(N)Oc2c1c(CCC)nn2-c1ccc(C)cc1 1865694477 YKFBGGPESKKYDC-HSZRJFAPSA-N 458.562 5.149 50 10 JKGE COc1ccc(-c2nn(Cc3c(F)cccc3Cl)c3c2[C@@H](c2cccs2)C(C#N)=C(N)O3)cc1 1865697977 HJILVBREALHEQY-OAQYLSRUSA-N 492.963 5.679 50 10 JKGE N#CC1=C(N)Oc2c(c(-c3ccccc3)nn2Cc2ccc(Cl)c(Cl)c2)[C@H]1c1ccncc1 1865700256 OAIGUYITCJFWOG-NRFANRHFSA-N 474.351 5.518 50 10 JKGE N#CC1=C(N)Oc2c(c(C(F)(F)F)nn2Cc2ccccc2Cl)[C@@H]1c1ccc(F)cc1F 1865702211 PKLBCRWJFADYJE-MRXNPFEDSA-N 466.797 5.100 50 10 JKGE CCc1nn(-c2ccc(Cl)cc2)c2c1[C@H](c1ccc(OC(=O)c3ccccc3)cc1)C(C#N)=C(N)O2 1865705391 UPQGHHXFXDRKRK-XMMPIXPASA-N 496.954 5.525 50 10 JKGE COc1ccc([C@H]2C(C#N)=C(N)Oc3c2c(C(F)(F)F)nn3-c2cccc3ccccc23)cc1OC 1865707544 ZCALCPXZNLYVBZ-NRFANRHFSA-N 492.457 5.280 50 10 JKGE CCc1ccc(-c2ccc(C(=O)NNC(=O)[C@@H](C)Oc3ccc(Cl)cc3Cl)c(C)n2)cc1 1865758805 SAPMQYBFOZQIGM-OAHLLOKOSA-N 472.372 5.155 50 10 JKGE CCOC(=O)c1c(-c2ccc3c(c2)CCCC3)csc1NC(=O)/C(C#N)=C/c1ccc(C)cc1 1866127284 UCPRDOHNTUCDIE-OEAKJJBVSA-N 470.594 6.325 50 10 JKGE N#CSc1ccc(NC(=O)[C@@H](NC(=O)C[C@H](c2ccccc2)C2CC2)c2ccccc2)cc1 1866720564 OENOFXXDUVFFEQ-RSXGOPAZSA-N 455.583 5.640 50 10 JKGE C/C(=C\c1cccc(Cl)c1)C(=O)N[C@H](Cc1ccc(O)cc1)C(=O)Nc1ccc(SC#N)cc1 1866817480 ZQXGFFGXDPDYAK-VTUIFRMYSA-N 492.000 5.388 50 10 JKGE COc1ccc(-c2csc(/C(C#N)=C(O)/C=C/c3cc(OC)c(OC)c(OC)c3)n2)cc1 1872745747 AWFZANOBEFJJHO-KSPUUWRISA-N 450.516 5.351 50 10 JKGE COc1ccc(Cl)cc1N1C[C@@H](/C(O)=C(\C#N)c2nc(-c3ccc(F)c(C)c3)cs2)CC1=O 1872750114 XGSOXIGKVNXTCZ-ADSWHHSESA-N 483.952 5.765 50 10 JKGE Cc1ccc(OC/C(O)=C(\C#N)c2nc(-c3cc(C(C)(C)C)ccc3C)cs2)c(C(C)(C)C)c1 1872756068 QRKDVGOJSCWHMI-LVWGJNHUSA-N 474.670 7.894 50 10 JKGE CCCCc1ccc(-c2csc(/C(C#N)=C/c3ccc(OC(=O)c4ccccc4)cc3)n2)cc1 1872780662 HAXYJKNYIYDARD-XIEYBQDHSA-N 464.590 7.436 50 10 JKGE N#C/C(=C\c1ccc(OCc2ccccc2Cl)cc1)c1nc(-c2cccc([N+](=O)[O-])c2)cs1 1872782877 VAXKVMJDDMTLNA-UDWIEESQSA-N 473.941 7.015 50 10 JKGE COc1ccc(-c2csc(/C(C#N)=C/c3cc(Br)ccc3O)n2)c2ccccc12 1872795323 ZBDAIOFUFLVZAE-XNTDXEJSSA-N 463.356 6.504 50 10 JKGE Brc1cc2c(cc1[C@H](Br)[C@H]1C[C@H](Br)C1)OCCCO2 1887748192 CUCSNEXCHBNIEW-RFXMVYNHSA-N 454.984 5.220 50 10 JKGE CC(C)[C@@H]1C[C@H]1[C@@H](Br)c1c(Br)sc(Br)c1Br 1897481657 GMEBJGQAHIKNGS-SHYZEUOFSA-N 495.900 6.764 50 10 JKGE Cl[C@@H](c1cc(Br)co1)c1cc(Br)ccc1OCc1ccccc1 1899883747 PPARVCBKLPLHFT-GOSISDBHSA-N 456.561 6.712 50 10 JKGE ClCC[C@H](COCc1ccccc1)NCc1cc(Cl)ccc1I 1902900799 GEOKGSGLTVNSIA-QGZVFWFLSA-N 464.174 5.249 50 10 JKGE FC(F)Oc1cccc([C@H](Br)c2sc(Br)cc2Br)c1 1922954306 MUSDHLCWMJTJDJ-JTQLQIEISA-N 476.962 6.359 50 10 JKGE Fc1cccc(F)c1C[C@H](Cl)c1c(Br)sc(Br)c1Cl 1923065533 DOLBRTGFLPBVCK-LURJTMIESA-N 450.957 6.727 50 10 JKGE CC1(C)[C@H]2CC[C@@H](C2)[C@@H]1[C@H](Br)c1c(Br)sc(Br)c1Cl 1923068789 WLMRHZFGOQJQLH-AKEJEFCPSA-N 491.514 7.435 50 10 JKGE C[C@H](c1ccncc1Br)[C@@H](Br)c1cc(Cl)ccc1Br 1924039257 JZEUTAHHTMJLCM-XLKFXECMSA-N 468.414 6.500 50 10 JKGE CC(F)(F)[C@@H](Br)c1c(Br)sc(Br)c1Br 1924576377 NGNLVUPBVACGFN-BYPYZUCNSA-N 477.788 6.127 50 10 JKGE Clc1ccsc1[C@@H](Cl)c1c(Br)sc(Br)c1Br 1924579512 GVQSJMSXLZUBJD-LURJTMIESA-N 485.875 7.079 50 10 JKGE Cc1cc([C@@H](Cl)c2sc(Br)cc2Br)c(Br)s1 1939961933 CXFAWOBKGQQRRY-MRVPVSSYSA-N 465.457 6.734 50 10 JKGE C[C@@H]1CCN(Cc2ccccc2)CCN1c1ccc(Br)cc1CBr 1947754216 MLLOAUXNTGBUCK-MRXNPFEDSA-N 452.234 5.445 50 10 JKGE FC1(F)CC12CC([C@H](Br)c1cc(Br)sc1Br)C2 1948681811 WTDUTILSTZHIGC-KSHCCYOPSA-N 450.968 6.145 50 10 JKGE Clc1c(Br)sc(Br)c1[C@H](Br)[C@]12C[C@H](CCO1)C2 2019933767 JYOSPKLAQWDMIX-HCPJGSBBSA-N 465.432 5.932 50 10 JKGE Cc1cc(Br)c(F)c([C@@H](Br)c2cc(Br)c(C)s2)c1 2028924661 RVFASUWXTOWEHG-GFCCVEGCSA-N 457.000 6.513 50 10 JKGE CC(C)(C)C[C@H](CBr)NC(=O)c1csc(Br)c1Br 2032958483 FHFVBPMNJLWMJB-SSDOTTSWSA-N 462.045 5.203 50 10 JKGE CC(C)[C@@H](C)N(Cc1ccccc1)S(=O)(=O)c1ccc(CBr)c(Br)c1 2059390625 QXUUXVXRTBNVKA-OAHLLOKOSA-N 489.273 5.579 50 10 JKGE CCOc1ccc(Cn2nc(CCl)c(I)c2C(F)(F)F)cc1C 2079212305 PHNOMNFTJXNUJC-UHFFFAOYSA-N 458.649 5.001 50 10 JKGE Fc1cc(Cl)c([C@H](Br)c2cc(Br)sc2Br)cc1Cl 2083778083 NBJVPRHAIRVPQR-JTQLQIEISA-N 497.836 7.203 50 10 JKGE Brc1cccc(CN2C[C@@H](Br)CC3(CCC3)C2)c1Br 2094996801 JHWRPBSBXDBDNZ-LBPRGKRZSA-N 452.028 5.351 50 10 JKGE CCn1ncc(Br)c1[C@@H](Br)c1cc(Br)c(Cl)cc1F 2097826555 FSEPDSJPNXMJEG-NSHDSACASA-N 475.381 5.705 50 10 JKGE Cc1cc2sc([C@@H](Br)c3cc(Br)ccc3Br)cc2s1 2100332541 CRXJXRZAZZPVIL-AWEZNQCLSA-N 481.072 7.281 50 10 JKGE ClCCc1nc2cc(Br)c(Cl)cc2n1-c1cnn(Cc2ccccc2)c1 2103638033 YWKLLLHJGVRTNR-UHFFFAOYSA-N 450.167 5.468 50 10 JKGE Cc1cc(Br)c(C)c([C@@H](Br)[C@@H](C)CC(F)(F)F)c1Br 2136366573 JKPOSZRXOSKTHB-MADCSZMMSA-N 466.961 6.853 50 10 JKGE Clc1cc(CN2CC3(CC[C@@H]2CBr)CC3)ccc1I 2142948597 BYIJJAIBYHTJJT-GFCCVEGCSA-N 454.577 5.084 50 10 JKGE Fc1ccc(C[C@@H](CBr)Cc2ccc(Br)cc2Br)cc1 2148683544 XESUSELDASJZIG-GFCCVEGCSA-N 464.998 6.147 50 10 JKGE O=C(N[C@H]1CCCC[C@H]1CCBr)c1c(Br)cccc1Br 2150502780 FAWRWWPBUISVFD-GWCFXTLKSA-N 468.027 5.285 50 10 JKGE C[C@@]1([C@@H](Br)c2cc(I)cc3c2OCC3)CCCC1(F)F 2167955884 BLLZHGVWXHSVQT-KBPBESRZSA-N 457.096 5.488 50 10 JKGE COc1cc(Cl)c([C@H](Br)c2ccc(Br)cc2C)cc1Br 2202351801 KNKNWLYPLZITLL-OAHLLOKOSA-N 483.425 6.666 50 10 JKGE CCn1cc([C@@H](Br)c2cc(Br)cc(Cl)c2OC)nc1Br 2202994934 NXWBXIDDGYJBCF-NSHDSACASA-N 487.417 5.574 50 10 JKGE Fc1ccc(CO[C@@H](CBr)c2ccc(Br)cc2)c(Br)c1 2206268177 QSTZVMAAUYCZFK-HNNXBMFYSA-N 466.970 6.004 50 10 JKGE Cc1sc(Br)c(C)c1[C@H](Br)c1ccc(Br)c(Cl)c1 2218800508 KZHBFTXYFGVYJJ-GFCCVEGCSA-N 473.455 7.028 50 10 JKGE COCc1cc(Br)c([C@H](Br)c2scc(Br)c2C)s1 2219006453 SJFMNVCCJJLLKU-SNVBAGLBSA-N 475.065 6.274 50 10 JKGE Cc1ccc(I)c([C@H](Br)c2cc(C)c(Br)cc2C)c1 2232219260 DKKBTMUBXYJBLN-MRXNPFEDSA-N 494.008 6.463 50 10 JKGE Cc1cc(Br)c([C@@H](Br)c2c(Br)nn(C)c2C)c(C)c1Cl 2232529937 ZQBJHIDOCLRCBH-GFCCVEGCSA-N 485.445 6.008 50 10 JKGE CC1(C)[C@H]2CC[C@@H](C2)[C@@H]1[C@@H](Br)c1cc(Br)c(Br)cc1F 2233978198 YYOVHJJPINVTHE-YMLDPWDYSA-N 469.030 6.859 50 10 JKGE COc1cc(Br)c([C@H](Br)c2cccc(Br)c2Cl)cc1C 2236013324 VXSKPYWYHCXNDI-CQSZACIVSA-N 483.425 6.666 50 10 JKGE Brc1coc([C@H](Br)c2cc(Br)ccc2Br)c1 2244200332 DVISWJBNCPOEII-LLVKDONJSA-N 473.784 6.051 50 10 JKGE Brc1cccc([C@H](CI)O[C@@H]2CCN(Cc3ccccc3)C2)c1 2244803286 YGZFMLQAQCVQNI-MOPGFXCFSA-N 486.191 5.216 50 10 JKGE COc1ccc([C@@H](Br)c2scc(Br)c2Cl)cc1Br 2253602351 HLNNPDIZLSNAHX-SNVBAGLBSA-N 475.427 6.419 50 10 JKGE Fc1cc([C@H](Br)c2sc(Cl)cc2Br)c(Cl)cc1Br 2255968642 XNSAXOXOJITFMI-JTQLQIEISA-N 497.836 7.203 50 10 JKGE Fc1cc(Cl)c([C@H](Br)Cc2cccc(Br)c2)cc1Br 2270439080 VMMSZNQCUKNMKR-LLVKDONJSA-N 471.389 6.683 50 10 JKGE Brc1cc(Br)cc(C[C@@H](Br)[C@H]2CC23CCOCC3)c1 2277958917 MIDPALLWXKMGDA-ZIAGYGMSSA-N 453.012 5.334 50 10 JKGE C=CC[C@@]1(CBr)CCCCN1Cc1cc(Cl)ccc1I 2287739054 OGYCMMMCBZTOMX-INIZCTEOSA-N 468.604 5.640 50 10 JKGE Fc1cccc(Cl)c1[C@H](Br)c1c(F)cc(Br)c(F)c1Br 2288349195 NDQQJIBWPSPCMO-NSHDSACASA-N 493.342 6.767 50 10 JKGE COC[C@@H]1CC[C@H]([C@@H](Br)c2c(F)cc(Br)c(F)c2Br)C1 2288483623 MQIXQHDCGRUELK-RGNHYFCHSA-N 476.981 5.989 50 10 JKGE COC(=O)c1c(NC=C(C#N)c2nc(-c3ccc(OC)c(OC)c3)cs2)sc(C)c1C 2296348661 HAHNULKERPJJEO-UHFFFAOYSA-N 455.561 5.269 50 10 JKGE N#CC(=Cc1ccc2noc(-c3ccccc3)c2c1)c1nc(-c2cc3ccccc3oc2=O)cs1 2296834427 LNCWAICXSTWCOZ-UHFFFAOYSA-N 473.513 6.789 50 10 JKGE CC[C@H](Br)CN(CC)Cc1ccc(I)c(Br)c1 2306227431 MYWLVTVPGYBVDA-NSHDSACASA-N 475.006 5.049 50 10 JKGE Clc1cccc([C@H](Cl)c2cc(Br)ccc2OCc2ccccc2)c1Cl 2314448800 KPTPWZACJMNFOK-IBGZPJMESA-N 456.594 7.663 50 10 JKGE CCCCCCCC[C@H](Br)c1cc(Br)ccc1OCc1ccccc1 2314450361 YPEJETMFIRDHDD-NRFANRHFSA-N 468.273 8.215 50 10 JKGE Cc1ccc2c(O)nc(C(C#N)=Cc3ccc(-c4cc(C(F)(F)F)ccc4Cl)o3)nc2c1 2314488186 LUJVQNCPWXBDQG-UHFFFAOYSA-N 455.823 6.640 50 10 JKGE CCCCOc1ccc(C=C(C#N)C(=O)Oc2ccc(C(=O)Nc3ccc(OC)cc3)cc2)cc1 2314737854 ZMAKXGWYLBFAGY-UHFFFAOYSA-N 470.525 5.639 50 10 JKGE Cc1nc(OCc2cc(Br)cc(Br)c2)sc1CBr 2315428106 AQURKOGQBPSUMD-UHFFFAOYSA-N 455.997 5.450 50 10 JKGE CCOc1ccc(OCC(=O)Oc2cccc(C=C(C#N)c3ccc(OC)c(OC)c3)c2)cc1 2320511452 WWTIPLJSVPHSQX-UHFFFAOYSA-N 459.498 5.151 50 10 JKGE N#CC(=C(O)C=Cc1cccc([N+](=O)[O-])c1)c1nc(-c2ccc(Br)cc2)cs1 2331260681 ZUUXMIZIANPPOX-UHFFFAOYSA-N 454.305 5.987 50 10 JKGE CCOc1ccc(-c2csc(C(C#N)=C(O)COc3ccc(OC)cc3C(C)(C)C)n2)cc1 2331305433 BPBXEQBAMFWUEG-UHFFFAOYSA-N 464.587 6.387 50 10 JKGE C=CCOc1ccccc1OCC(O)=C(C#N)c1nc(-c2cc(Cl)c(OC)cc2OC)cs1 2331378700 RRKNMOBCLQBLLT-UHFFFAOYSA-N 484.961 5.917 50 10 JKGE COc1c(Cl)cc(-c2csc(C(C#N)=C(O)CCCOc3c(C)cccc3C)n2)cc1Cl 2331397506 KEIIQRDGRVMENA-UHFFFAOYSA-N 489.424 7.394 50 10 JKGE Fc1cc(Cl)c(Br)c(Cl)c1[C@@H](Cl)c1cccc(I)c1 2335281530 RYXCZUNXRIBEED-LBPRGKRZSA-N 494.356 6.828 50 10 JKGE COC1(C(F)(F)[C@H](Br)c2ccc(OCc3ccccc3)cc2Br)CCC1 2336072103 JLBUYLLAVXHICW-GOSISDBHSA-N 490.182 6.669 50 10 JKGE CCCN[C@H](c1c(Cl)cc(Br)c(F)c1Br)[C@H]1C[C@H]1Br 2337108497 GJTSSXFCURFNRL-NFNXHLSSSA-N 478.425 5.828 50 10 JKGE Cc1cc(Br)c(F)c(Br)c1[C@H](Br)[C@@H](C)CC(C)(C)C 2339651428 PKZIXOYTYHWYAG-JOYOIKCWSA-N 459.035 7.167 50 10 JKGE Fc1cc(Br)c(Cl)cc1[C@H](Cl)c1ccc(Cl)cc1I 2340062858 FDECFCLCHCCIHT-CYBMUJFWSA-N 494.356 6.828 50 10 JKGE COC[C@@H]1CC[C@H](Cc2ccc(I)c(Br)c2)C[C@@H]1Cl 2349780774 ITCWBPOHGAEOOW-DYEKYZERSA-N 457.577 5.266 50 10 JKGE C[C@@H]1CN(Cc2cc(I)ccc2Cl)CC[C@@H]1CCBr 2352414489 UQSPLEMLDVGUBF-NEPJUHHUSA-N 456.593 5.188 50 10 JKGE Clc1ccc(I)cc1C[C@@]1(CBr)CCC=CCCC1 2352417874 ORJTWBSUFGXKQW-MRXNPFEDSA-N 453.589 6.389 50 10 JKGE Fc1c(Br)cc(Cl)c([C@H](Br)[C@@H]2O[C@H]3CC[C@H]2C3)c1Br 2352553493 LGSGKTLMEVAFHV-KQXJBUGQSA-N 477.393 6.008 50 10 JKGE CC(C)n1nc(Br)nc1C[C@H](Br)c1cccc(Br)c1 2353772736 XCHDTRNDOGQPKO-NSHDSACASA-N 451.988 5.063 50 10 JKGE Fc1c(Br)cc(Cl)c([C@H](Br)[C@@H]2OC[C@@H]3CCC[C@H]32)c1Br 2362233454 ALVYVFVSGPHKHL-GKPVPNALSA-N 491.420 6.255 50 10 JKGE CC(C)C[C@H](C(C)C)[C@@H](Br)c1c(Cl)cc(Br)c(F)c1Br 2362248945 VIWVRJOUISEUBC-NOZJJQNGSA-N 493.480 7.758 50 10 JKGE COc1ccc(C[C@@H](Cl)c2ccc(Br)cc2Br)c(Br)c1 2364261799 UGPCQEGOPYSPCA-OAHLLOKOSA-N 483.425 6.505 50 10 JKGE COc1cc([C@H](Br)c2c(Br)cc(F)c(F)c2F)sc1Cl 2365831821 WQCVGBZNRZLWSE-VIFPVBQESA-N 450.501 6.074 50 10 JKGE Cc1cc(Cl)c(Br)cc1[C@H](Br)c1cc(F)c(Cl)cc1Cl 2379736256 JDZLCDHEHSEJPZ-AWEZNQCLSA-N 461.383 7.341 50 10 JKGE CC(C)(C)OC(=O)N[C@@H]1CN(C[C@](C)(CBr)C(C)(C)C)CC[C@@H]1C(F)(F)F 2380188225 YLEMQOWJNFWFNZ-IYOUNJFTSA-N 459.391 5.211 50 10 JKGE CCc1ccc([C@@H]2C(C#N)=C(N)N(c3cc([N+](=O)[O-])ccc3Cl)C3=C2C(=O)CC(C)(C)C3)s1 6284034 GHSQHIBRAQBXMS-NRFANRHFSA-N 482.993 5.813 50 10 JKGE N#C/C(=C/c1cccc(Br)c1)c1ccc(/C(C#N)=C\c2cccc(Br)c2)cc1 33392609 QULPOSHBAMADGA-IINORCHSSA-N 490.198 7.340 50 10 JKGE Cc1ccc(S(=O)(=O)/C(C#N)=C\c2c(Oc3ccc(Cl)cc3)nc3c(C)cccn3c2=O)cc1 33694525 NWQDWFQOFDOUHJ-STZFKDTASA-N 491.956 5.095 50 10 JKGE N#C/C(=C/c1ccccc1OCc1ccccc1)C(=O)Nc1ccc([N+](=O)[O-])cc1Br 33930332 XHXFBJVLXOIAFA-PDGQHHTCSA-N 478.302 5.482 50 10 JKGE CC(C)(C)c1ccc(N2C(=O)CS[C@@H]2c2ccc(NC(=O)[C@@H](Cl)c3ccccc3)cc2)cc1 35928131 HIHVVLTUJOWNLQ-AZGAKELHSA-N 479.045 6.681 50 10 JKGE Cc1cc(C)cc(N2C(=O)CS[C@H]2c2cccc(NC(=O)[C@H](Cl)c3ccccc3)c2)c1 35928684 JFSGLXZGONNOOT-NOZRDPDXSA-N 450.991 6.001 50 10 JKGE CCCOc1ccccc1[C@H]1C(C#N)=C(N)Oc2cc(OC(=O)COc3cccc(Cl)c3)ccc21 38681892 FBYRAYOEHUXXCH-AREMUKBSSA-N 490.943 5.331 50 10 JKGE Cc1ccc(C(=O)NNC(=O)CCCc2c(-c3ccc4ccccc4n3)[nH]c3ccc(Cl)cc23)cc1 39867466 PTELBAKFQBVUTC-UHFFFAOYSA-N 496.998 6.129 50 10 JKGE Cc1c(C(=O)NCc2ccco2)oc2c1/C(=N/NC(=O)c1ccc(-c3ccccc3)cc1)CCC2 40822710 FFLITNIMDNFHLP-JJKYIXSRSA-N 467.525 5.248 50 10 JKGE O=C(COc1ccc(-c2ccccc2)cc1Br)N/N=C/c1cccc(Br)c1 40902729 HGQWUNNAVPNVIM-ZMOGYAJESA-N 488.179 5.408 50 10 JKGE COc1cc(/C=N/NC(=O)COc2ccc(C)c(C)c2)cc(Br)c1OCc1ccccc1 40912379 DTWINIVKMINHPY-MZJWZYIUSA-N 497.389 5.183 50 10 JKGE CCOc1cc(/C=C(/C#N)C(=O)Nc2cc(Cl)ccc2Cl)ccc1OCc1ccc(C)cc1 59117390 WOGPSKRIGVFSKK-NDENLUEZSA-N 481.379 6.825 50 10 JKGE Cc1ccc(NC(=O)/C(C#N)=C\c2ccc(OCc3ccccc3Cl)c(Br)c2)cc1 59335197 CONYFEADPQNIRW-UNOMPAQXSA-N 481.777 6.536 50 10 JKGE COc1cc([C@@H](C(=O)NC2CCCCC2)N(Cc2cccs2)C(=O)CCl)ccc1OC(C)C 97914667 HYGLTJRGLOLLTE-DEOSSOPVSA-N 493.069 5.302 50 10 JKGE CCc1ccc(N2C(=O)[C@@H](Cc3ccc(Cl)cc3)S/C2=C(/C#N)C(=O)Nc2ccccc2)cc1 101244386 HHICETWFOSVXFV-NLTRVXJZSA-N 488.012 5.967 50 10 JKGE COc1cc(N/C=C(/C#N)c2nc(-c3cc4ccccc4oc3=O)cs2)c(C)cc1[N+](=O)[O-] 102475139 WYPILQHKYYVPMU-PTNGSMBKSA-N 460.471 5.118 50 10 JKGE CCOc1ccc(-c2nn(-c3ccccc3)cc2/C=C(\C#N)C(=O)NC2CCCCC2)cc1C 102858518 JPAYEIPAJGCJLE-OQKWZONESA-N 454.574 5.602 50 10 JKGE C[C@]12CC[C@@H]3c4ccc(O)cc4CC[C@H]3[C@@H]1CC/C2=N/NC(=O)C(O)(c1ccccc1)c1ccccc1 105436492 MYCPNYBYHGFOKA-KBZMGROSSA-N 494.635 5.657 50 10 JKGE CC(=C(\CC(=O)c1ccccc1)c1ccccc1)/C(=C(/C#N)c1ccc([N+](=O)[O-])cc1)c1ccccc1 106585446 RSHSXBIKEISXJX-BCUWTLKXSA-N 484.555 7.776 50 10 JKGE COc1cc2c(Oc3ccc4[nH]c(C)cc4c3F)ncnc2cc1OCCCBr 113513390 GXXMKCDDIVOMJH-UHFFFAOYSA-N 460.303 5.523 50 10 JKGE Brc1ccsc1[C@@H](Br)c1csc(I)c1 128555403 PQXZBYMZLXXRQF-QMMMGPOBSA-N 463.985 5.661 50 10 JKGE Brc1cccc([C@@H](CI)OCc2ccccc2Br)c1 162556188 QHIIDJTWMXJYGH-OAHLLOKOSA-N 495.980 5.905 50 10 JKGE CCOc1cc(/C=N\NC(=O)c2ccc(C)cc2)ccc1OCc1ccc(Cl)c(Cl)c1 169885747 OBOCVLHYFSAGPS-VYYCAZPPSA-N 457.357 6.043 50 10 JKGE CC[C@@H](NC(=O)/C(C#N)=C\Nc1cc(C(F)(F)F)cc(C(F)(F)F)c1)c1ccc2c(c1)CCCC2 217192042 JUSBVACFPIGJSE-MTPVXSITSA-N 495.467 6.690 50 10 JKGE COc1ccc([C@@H](Br)c2ccc(I)c(Cl)c2)c(Cl)c1 232343589 MCGDNULQOIOFJC-AWEZNQCLSA-N 471.947 6.091 50 10 JKGE Cc1cc([C@H](Cl)c2cc(I)ccc2Br)sc1Cl 235882480 ZYOSICSZRPFTRK-LLVKDONJSA-N 461.977 6.405 50 10 JKGE O=C(Nc1ccc(CCCl)cc1)c1cc(I)ccc1Br 236016110 XTCFAONDZNEGMU-UHFFFAOYSA-N 464.528 5.087 50 10 JKGE Fc1cc(Br)c(Cl)cc1[C@@H](Cl)c1cc(Cl)ccc1I 236228409 RZPNZJOGTIJPCP-CYBMUJFWSA-N 494.356 6.828 50 10 JKGE CCOc1cc(C=NNC(=O)c2ccc(C)cc2OC)cc(Cl)c1OC(=O)c1ccc(OC)cc1 252629318 UDMRZHISDWTPNW-UHFFFAOYSA-N 496.947 5.047 50 10 JKGE Cc1ccc(-n2c(-c3ccccc3)cc(C=NNC(=O)c3ccccc3)c2-c2ccccc2)cc1 252633883 WIEUDGHUJUWOKE-UHFFFAOYSA-N 455.561 6.884 50 10 JKGE CCCCCCCCCCCCCCCC(=O)NN=Cc1ccc(OC(=O)c2cccs2)cc1 254800592 WKZIHSMXMNVJBT-UHFFFAOYSA-N 484.706 7.899 50 10 JKGE CC(C)(C)c1ccc(-c2nnc(SCC(=O)NN=Cc3cccc(F)c3)n2-c2ccccc2)cc1 263632489 JDTIDMRDCGKFOD-UHFFFAOYSA-N 487.604 5.613 50 10 JKGE CC(C)C[C@H](C)CC(CBr)(CBr)c1ccccc1Br 302447352 XBDDPYGOJSXXDT-ZDUSSCGKSA-N 455.072 6.549 50 10 JKGE BrCc1csc2cc(I)cc(I)c12 306897742 UVJCVIZHWDWQTR-UHFFFAOYSA-N 478.918 5.005 50 10 JKGE CCC[C@H](CC(C)C)[C@@H](Br)c1cc(I)cc2c1OCC2 308020341 JJRNVOSLZXTPFR-MLGOLLRUSA-N 451.186 6.125 50 10 JKGE Clc1ccc([C@H](Br)c2sccc2I)c2ccccc12 312038139 ZWGCVWOVXUXNRX-AWEZNQCLSA-N 463.565 6.644 50 10 JKGE CC(C)(C)OC(=O)N1C[C@@H](CBr)[C@@H](c2ccc(Cl)cc2Br)C1 382692727 JIECCWZZGQRUGI-MFKMUULPSA-N 453.602 5.448 50 10 JKGE CC(C)(C)OC(=O)N1C[C@H](CCl)[C@H](c2cc(Br)cc(Br)c2)C1 382710601 HAAAWHBBFWQABW-FZMZJTMJSA-N 453.602 5.401 50 10 JKGE C[C@@H](COc1c(Br)cc(Br)cc1CBr)CC(F)(F)F 402941657 NZOAOZMGHUPJQJ-SSDOTTSWSA-N 468.933 6.074 50 10 JKGE Clc1cc([C@@H](Br)c2cc(Cl)c(Cl)c(Cl)c2Cl)ccc1Br 405044298 AGYWMBSSAITCAB-SNVBAGLBSA-N 498.256 8.200 50 10 JKGE Clc1ccc(CC(CBr)(CBr)c2ccc(Br)cc2)nc1 703899981 OTJZGXCEGNRABH-UHFFFAOYSA-N 482.441 5.768 50 10 JKGE CC(C)[C@@H]1CN(c2ccc(CBr)cc2Br)CCN1Cc1ccccc1 704746351 ZIMWOZZUISGYOH-NRFANRHFSA-N 466.261 5.691 50 10 JKGE CCC(CC)(CBr)CNC(=O)c1scc(Br)c1Br 707814984 FQRJCLGUYGJHTR-UHFFFAOYSA-N 462.045 5.204 50 10 JKGE CC(C)Oc1ccc([C@H](Cl)c2ccc(I)c(Br)c2)cc1 721571309 FMYMBRQCXKKFAM-INIZCTEOSA-N 465.556 6.169 50 10 JKGE COc1ccc([C@@H](Cl)c2ccc(I)c(Br)c2)cc1OC 721573362 RCVHJHNTVYOBRG-HNNXBMFYSA-N 467.528 5.399 50 10 JKGE CCOc1ccc([C@H](O)CCC(=O)NN=Cc2ccccc2OCc2cccc3ccccc23)cc1 1084245694 MWIMFEDZBCQHSR-MUUNZHRXSA-N 482.580 5.781 50 10 JKGE N#CC1=NN(c2ccc(Cl)cc2)[C@H](c2ccccc2)C2=C1OC(N)=C(C#N)[C@H]2c1ccccc1 1088670226 QBWALGKCKNWJBH-ILBGXUMGSA-N 463.928 5.543 50 10 JKGE Cc1cccc(NC(=O)c2oc3c(c2C)C(=NNC(=O)c2ccc4ccccc4n2)CCC3)c1C 1772751500 SGPPSGPEIOBDJT-UHFFFAOYSA-N 466.541 5.476 50 10 JKGE Cc1ccc2c(CC(=O)NN=C3CCCc4oc(C(=O)Nc5ccccc5)c(C)c43)coc2c1C 1772751504 DSPWSAYANMNQRU-UHFFFAOYSA-N 469.541 5.603 50 10 JKGE CCc1ccc(NC(=O)[C@@H](C)Oc2cccnc2NC(=O)Nc2ccc(SC#N)cc2)cc1 1858839691 GKFJSFJRLNDXGL-MRXNPFEDSA-N 461.547 5.267 50 10 JKGE CN(C)c1ccc([C@@H]2C(C#N)=C(N)Oc3c2c(-c2ccccc2)nn3-c2cccc(Cl)c2)cc1 1865683986 SFRHJDACTFRRIH-HSZRJFAPSA-N 467.960 5.477 50 10 JKGE COc1ccc(-c2nn(-c3ccc(C)cc3)c3c2[C@@H](c2c(F)cccc2Cl)C(C#N)=C(N)O3)cc1 1865685064 DMGZUJJHHZZYMB-JOCHJYFZSA-N 486.934 5.867 50 10 JKGE C=CCOc1ccccc1[C@H]1C(C#N)=C(N)Oc2c1c(-c1ccccc1)nn2Cc1ccc(Cl)cc1 1865691007 GZYMGBOUDJODCO-VWLOTQADSA-N 494.982 6.035 50 10 JKGE Cc1ccc(COc2ccc([C@H]3C(C#N)=C(N)Oc4c3c(C)nn4Cc3ccc(C)cc3)cc2)cc1 1865694285 WJYZCMPCDFDSPT-NDEPHWFRSA-N 476.580 5.654 50 10 JKGE CCCOc1c(OC)cccc1[C@@H]1C(C#N)=C(N)Oc2c1c(CCC)nn2Cc1ccccc1F 1865694354 WZDGGHJQAJVCMO-HSZRJFAPSA-N 476.552 5.039 50 10 JKGE CCCCOc1ccc([C@@H]2C(C#N)=C(N)Oc3c2c(-c2ccc(OC)cc2)nn3CCC)cc1OC 1865696197 CRILJADXXRUWIX-XMMPIXPASA-N 488.588 5.374 50 10 JKGE CCCc1nn(Cc2ccccc2)c2c1[C@H](c1cccc(OCc3ccccc3)c1)C(C#N)=C(N)O2 1865712146 QMHZQWVATPTQJH-HHHXNRCGSA-N 476.580 5.681 50 10 JKGE CCOc1ccc(/C=C/C(=O)NNC(=O)c2ccc(-c3ccc(Cl)c(Cl)c3)nc2C)cc1 1865758962 BMTFDGOSIIVHNA-AWNIVKPZSA-N 470.356 5.237 50 10 JKGE CCc1ccc(-c2ccc(C(=O)N/N=C\c3ccc(OCc4ccccc4)c(OC)c3)c(C)n2)cc1 1865760604 GKEGUVAOOKRIOL-DXJNIWACSA-N 479.580 5.971 50 10 JKGE CCOC(=O)c1c(NC(=O)/C(C#N)=C/c2ccc(Cl)cc2)sc(C(=O)OCC(C)C)c1C 1866128196 CBWRUSXQADBXFR-MHWRWJLKSA-N 474.966 5.245 50 10 JKGE N#CSc1ccc(NC(=O)[C@H](Cc2ccc(F)cc2)NC(=O)[C@H]2C[C@H]2c2ccc(F)cc2)cc1 1866936809 PGWNJFAFOKPCEN-HJOGWXRNSA-N 477.536 5.008 50 10 JKGE COc1cc(C)c(-c2csc(/C(C#N)=C(\O)[C@@H]3CC(=O)N(Cc4ccccc4)C3)n2)cc1C(C)C 1872753696 JHBKWVJDMYFPCV-SDZWUPGVSA-N 487.625 6.092 50 10 JKGE Cc1ccc(C(C)(C)C)cc1-c1csc(/C(C#N)=C(\O)[C@@H]2CC(=O)N([C@@H](C)c3ccccc3)C2)n1 1872755914 LPROOTFOEZQQEM-QJZCSTPJSA-N 485.653 6.818 50 10 JKGE COc1ccc(Cl)cc1-c1csc(/C(C#N)=C(\O)COc2ccc(C)cc2C(C)(C)C)n1 1872758690 LSZSSCDDELOALB-UZYVYHOESA-N 469.006 6.950 50 10 JKGE C[C@](F)(COc1c(Br)cc(Br)cc1CBr)C(F)(F)F 1876597597 NHBAJJINGJZRSJ-JTQLQIEISA-N 472.896 5.776 50 10 JKGE FC(F)C(F)(F)[C@@H](Br)c1ccc(OCc2ccccc2)cc1Br 1899860351 OBWVIYSYDXBROT-AWEZNQCLSA-N 456.071 6.365 50 10 JKGE Cn1cnc(Br)c1[C@H](Br)c1cc(Br)c(Br)s1 1900440169 HDGNHTIRKYVTTJ-ZCFIWIBFSA-N 493.844 5.253 50 10 JKGE Cc1nsc(Br)c1[C@H](Cl)c1cc(Br)sc1Br 1912971997 TVMNRKDVXKVTJJ-SSDOTTSWSA-N 466.445 6.129 50 10 JKGE C[C@@H](CBr)N(Cc1ccccc1)C(=O)c1scc(Br)c1Br 1914233024 YUMROFCWFHZEHX-JTQLQIEISA-N 496.062 5.699 50 10 JKGE C[C@H](CCBr)N(Cc1ccccc1)S(=O)(=O)c1ccc(Cl)c(C(F)(F)F)c1 1915108987 DCDYJBSQOLGXMS-CYBMUJFWSA-N 484.765 5.723 50 10 JKGE O=S(=O)(c1c(Cl)cc(Br)cc1Cl)N(Cc1ccccc1)[C@H](CCl)C1CC1 1915151452 GJRNNIOHMBCTJW-QGZVFWFLSA-N 497.669 5.964 50 10 JKGE COCC1(C[C@H](Br)c2c(Br)sc(Br)c2Cl)CC1 1923049611 MLGCCOQYJNEELU-LURJTMIESA-N 467.448 6.179 50 10 JKGE Clc1c(Br)sc(Br)c1[C@@H](Br)c1ccc2c(c1)CCCC2 1923070525 BTKMABKVVDIVAO-LBPRGKRZSA-N 499.493 7.290 50 10 JKGE FC1(F)[C@H]2C[C@@H]([C@H](Br)c3c(Cl)sc(Br)c3Cl)CC[C@H]21 1925547754 WJABYZUHEUMXPP-GCJQMDKQSA-N 454.989 6.935 50 10 JKGE Fc1cccc([C@@H](Br)c2c(Cl)sc(Br)c2Cl)c1Br 1925585092 MVMUHWWDVOFZRG-MRVPVSSYSA-N 497.836 7.203 50 10 JKGE Clc1sc(Br)c(Cl)c1[C@H](Br)[C@H]1CCc2ccccc2C1 1925600625 SIAKMVONRUCZHN-CMPLNLGQSA-N 455.042 7.059 50 10 JKGE Clc1c(Br)ccc(CBr)c1N(Cc1ccccc1)Cc1ccccc1 1933542324 APLRVIPDUYJLJZ-UHFFFAOYSA-N 479.643 7.204 50 10 JKGE CCc1sc(Br)cc1[C@H](Br)c1ccccc1I 1943032553 FBGPZJPAQSIBKS-CYBMUJFWSA-N 486.010 6.162 50 10 JKGE C[C@]1([C@H](Br)c2c(Br)sc(Br)c2Cl)COCCO1 2021896514 OCTIOYMGZJMLIM-GMSGAONNSA-N 469.420 5.168 50 10 JKGE CC(C)(C)OC(=O)N1CCC[C@](CI)(O[C@H]2CC(C)(C)C2(C)C)C1 2025011685 RAUPSMGXBSLGTI-IFXJQAMLSA-N 451.389 5.032 50 10 JKGE Clc1ccc([C@@H](CBr)Cc2ccc(Br)cc2Br)cc1 2092261778 UCTOCBLDGITGJR-GFCCVEGCSA-N 467.426 6.586 50 10 JKGE COc1cc(Br)c(Oc2nc(Cl)c(CBr)s2)cc1Br 2099104451 VJAXWJOGDGKKOW-UHFFFAOYSA-N 492.414 6.017 50 10 JKGE FC1(F)CCC2(CC1)C[C@@H]2[C@H](Br)c1sc(Br)cc1Br 2107095452 HWLBFRSBXKWJGF-XCBNKYQSSA-N 479.022 6.925 50 10 JKGE Cc1c(Cl)cc([C@@H](Br)Cc2cccc(Br)c2)cc1Br 2111087517 VCVINLZHGTWCSO-AWEZNQCLSA-N 467.426 6.852 50 10 JKGE C[C@H](Cl)c1nc2cc(Cl)c(Br)cc2n1[C@@H]1CC[C@@H]1OCc1ccccc1 2112702082 RPKPLXQUOKKJAS-WILYLXEWSA-N 454.195 6.672 50 10 JKGE Fc1ccc(I)cc1[C@@H](Cl)c1cc(Cl)c(Br)cc1F 2113358613 SCNRQYNSOIIGOV-CYBMUJFWSA-N 477.901 6.314 50 10 JKGE Fc1ccc(Br)c(F)c1C[C@@H](Br)c1cccc(Br)c1 2113488874 IUHYIGPIPBNROR-GFCCVEGCSA-N 454.934 6.169 50 10 JKGE Cc1cc(Br)c(CBr)c(N2CCN(Cc3ccccc3)CC(C)(C)C2)c1 2116823937 HGKRTEOADUYTIN-UHFFFAOYSA-N 480.288 6.001 50 10 JKGE BrCc1cc(Br)c(OC[C@@H]2[C@H]3[C@H]4C[C@@H]2C[C@H]43)c(Br)c1 2134443457 WMHCQWHBLMPGFU-MZODFIPJSA-N 450.996 5.387 50 10 JKGE Cn1nc([C@H](Cl)c2cc(Cl)c(Cl)c(Cl)c2Cl)c(Br)c1Cl 2167041277 ASLQDGCCTUERAZ-SSDOTTSWSA-N 457.797 6.778 50 10 JKGE CCOc1ccc([C@H](Br)c2nn(C)c(Cl)c2Br)cc1Br 2167051597 WUHVMAMEPRLTLN-JTQLQIEISA-N 487.417 5.482 50 10 JKGE C[C@H]1[C@@H](n2c(CCCl)nc3cc(Cl)c(Br)cc32)CCN1Cc1ccccc1 2169015387 LOPLAYJGZRNBHY-LIRRHRJNSA-N 467.238 6.069 50 10 JKGE Cc1ccc(Br)c(C[C@H](CBr)Cc2ccccc2Br)n1 2169027687 PTDBVDMGZHUOFG-GFCCVEGCSA-N 462.023 5.711 50 10 JKGE CN(C(=O)c1cccc(Br)c1Br)C1CCC(CBr)CC1 2171120254 RMCIWIOLBOAZHO-UHFFFAOYSA-N 468.027 5.237 50 10 JKGE COc1cc(C)c([C@@H](Br)c2nn(C)c(Br)c2C)cc1Br 2198733666 YOSWTMZFAORXDH-GFCCVEGCSA-N 466.999 5.055 50 10 JKGE COc1cc(F)c([C@H](Cl)c2cc(I)ccc2F)cc1Br 2202908774 CJITWDVDDDITCD-CQSZACIVSA-N 473.482 5.669 50 10 JKGE O=S1(=O)CC[C@@H]1[C@@H](Br)c1c(Br)cc(Cl)c(Cl)c1Cl 2217618775 SFIMWFPCZVHAQR-HTRCEHHLSA-N 457.398 5.032 50 10 JKGE Cc1cc(Br)c([C@@H](Cl)c2cccc(Br)c2)c(C)c1Br 2227346858 FWQXUHQPOGUCDI-HNNXBMFYSA-N 467.426 6.919 50 10 JKGE C[C@]1([C@@H](Br)c2c(Br)cc(Cl)c(Cl)c2Cl)C[C@H]1C(F)(F)F 2232525653 DNNLIRQVNSPFFJ-DADVEIPYSA-N 475.357 7.434 50 10 JKGE CC(C)CC(CBr)(CBr)Cc1c(Br)sc2ccccc12 2232919926 ARMYWCFBYXMFMN-UHFFFAOYSA-N 483.107 7.029 50 10 JKGE CC1(C)C[C@H](n2c(CCl)nc3c(F)cc(Br)cc32)[C@H]1OCc1ccccc1 2232920634 CVXXRXMZQJIVDH-FXAWDEMLSA-N 451.767 6.233 50 10 JKGE Fc1ccc(C[C@H](Br)c2cc(Br)c(Br)cc2F)c(F)c1 2233977358 VCVAAUJWKPUOTO-JTQLQIEISA-N 472.924 6.308 50 10 JKGE COc1cc(Br)c([C@H](Cl)c2ccc(I)c(C)c2)cc1C 2236009903 PKEPOGHCCIEDEN-MRXNPFEDSA-N 465.556 6.007 50 10 JKGE FC1(CC(CBr)(CBr)c2ccc(Br)cc2)CCOCC1 2238309033 HXAADWMZBLNCIP-UHFFFAOYSA-N 473.018 5.386 50 10 JKGE Cc1cc(Br)c([C@H](Br)Cc2cc(Cl)cc(Cl)c2)cc1Cl 2240881842 WJVCCYNDTDAWBU-CQSZACIVSA-N 457.420 7.396 50 10 JKGE Cc1cc(Br)c([C@H](Cl)c2scc(Br)c2Cl)cc1Br 2253600248 OBABVOLWAXWHDR-JTQLQIEISA-N 493.873 7.326 50 10 JKGE COc1ccc([C@@H](Br)c2scc(Cl)c2Cl)cc1I 2257369537 NUOXTUSBQKFODL-SNVBAGLBSA-N 477.976 6.152 50 10 JKGE Clc1cc(Br)c([C@@H](Cl)c2cc(Br)co2)c(Cl)c1Cl 2258117707 LAVOYMHRVCXQRX-JTQLQIEISA-N 453.772 7.093 50 10 JKGE Cc1cc(Cl)c(Cl)cc1[C@@H](Br)c1cccc(Br)c1Br 2264364440 HUUSKLPLWQCEME-ZDUSSCGKSA-N 487.844 7.311 50 10 JKGE Cc1c(Br)sc([C@@H](Br)C[C@@H]2CCCCC23CC3)c1Br 2264950923 ZYTCVBIYQOVAIS-QWRGUYRKSA-N 471.096 7.378 50 10 JKGE COc1cccc(Oc2cc(I)ccc2Cl)c1CBr 2272639035 LQZWIYMDOYAEAH-UHFFFAOYSA-N 453.501 5.640 50 10 JKGE COc1c(Br)cc(Cl)cc1[C@@H](Br)c1scc(Cl)c1Cl 2277889040 MWNSPDKUIHPMKH-SECBINFHSA-N 465.421 6.964 50 10 JKGE CN(CCCCCCCCCBr)Cc1ccc(I)cc1 2280256924 IKEPGNWSYTULOR-UHFFFAOYSA-N 452.218 5.849 50 10 JKGE O=C(c1ccc(Cl)c(I)c1)N1CCCC[C@@H]1CCCBr 2283664991 KUFOCJPWISTNOM-GFCCVEGCSA-N 470.576 5.114 50 10 JKGE COc1cc(Br)c(Oc2ccc(C)nc2CBr)cc1Br 2286993315 OTNRFHGKZFBCOD-UHFFFAOYSA-N 465.967 5.611 50 10 JKGE COc1cc(C)c([C@H](Br)c2scc(Br)c2Br)c(OC)c1 2287084597 BDMAFQDXBOAWOY-ZDUSSCGKSA-N 485.035 6.083 50 10 JKGE N#CC(=Cc1ccc(-c2cc(C(F)(F)F)ccc2Cl)o1)C(=O)Nc1ccc(Cl)cc1Cl 2293038554 LBRPTAKXGGFANM-UHFFFAOYSA-N 485.676 7.471 50 10 JKGE CCOc1ccc(NC(=O)C(C#N)=Cc2cn(Cc3ccccc3Cl)c3ccccc23)cc1 2294156149 UMAGFQGEFBSVCZ-UHFFFAOYSA-N 455.945 6.287 50 10 JKGE Brc1cc(Br)cc(C[C@H](Br)[C@@H]2C[C@H]2C2CCOCC2)c1 2295335646 MQWIASTXRGQEQD-XHSDSOJGSA-N 467.039 5.580 50 10 JKGE COC(=O)c1cc(C(C)C)sc1NC(=O)C(C#N)=Cc1ccc(-c2cccc(Cl)c2)o1 2295669870 CTOXOIKAGFABMP-UHFFFAOYSA-N 454.935 6.117 50 10 JKGE CCc1ccc(NC(=O)C(C#N)=C2S[C@@H](Cc3cccc(Cl)c3)C(=O)N2c2ccccc2)cc1 2296507127 UQBHKKKKPAGFAS-DEOSSOPVSA-N 488.012 5.967 50 10 JKGE CCc1ccc(Oc2nc3c(C)cccn3c(=O)c2C=C(C#N)S(=O)(=O)c2ccc(C)cc2)cc1 2296720362 XXSMFHPRPASHHH-UHFFFAOYSA-N 485.565 5.004 50 10 JKGE N#CC(=Cc1cccc([N+](=O)[O-])c1)c1nc(-c2cccs2)c(NC(=O)c2cccs2)s1 2296848566 FUJNALKGHHBWJC-UHFFFAOYSA-N 464.553 6.158 50 10 JKGE COc1ccc(C=C2CCCC3=C2OC(N)=C(C#N)[C@H]3c2ccc(OC)c(OC)c2)cc1OC 2296907826 BVCLYSPLOMWMFS-VWLOTQADSA-N 460.530 5.050 50 10 JKGE COc1cccc(C=C2CCCC3=C2OC(N)=C(C#N)[C@@H]3c2cccc(OC)c2OC)c1OC 2296907831 CTVLQMQEWOKQLT-QHCPKHFHSA-N 460.530 5.050 50 10 JKGE CCOC(=O)c1sc(NC=C(C#N)c2nc(-c3ccccc3)cs2)c(C(=O)OCC)c1C 2297467161 PDHUHHRDSYPRBZ-UHFFFAOYSA-N 467.572 5.510 50 10 JKGE Cc1ccc(NC=C(NC(=O)C(C)(C)C)[P+](c2ccccc2)(c2ccccc2)c2ccccc2)cc1 2297497916 HRHONBFZEIARBL-UHFFFAOYSA-O 493.611 6.362 50 10 JKGE O=C(N[C@@H](CCCl)COCc1ccccc1)c1cc(Br)ccc1Br 2303698947 DOEBPHCSFVJEJD-HNNXBMFYSA-N 475.608 5.156 50 10 JKGE COc1ccc(NC(=O)C(C#N)=Cc2ccc(OCc3ccc(Br)cc3)c(OC)c2)cc1 2313511169 RHGGIBDJNZXJJA-UHFFFAOYSA-N 493.357 5.591 50 10 JKGE CS(=O)(=O)C1([C@H](Br)c2cc(Br)ccc2OCc2ccccc2)CCC1 2314460422 NNYMYNDLWHABJE-GOSISDBHSA-N 488.241 5.431 50 10 JKGE COc1cccc(NC(=O)C(C#N)=Cc2c(Oc3ccc(Cl)cc3)nc3c(C)cccn3c2=O)c1 2314533926 VITFFPPGGQARAY-UHFFFAOYSA-N 486.915 5.003 50 10 JKGE COc1ccc(N2C(=O)[C@H](Cc3ccccc3F)SC2=C(C#N)C(=O)Nc2ccc(C)cc2)cc1 2314592190 NOSUXARLQPELHD-DEOSSOPVSA-N 487.556 5.208 50 10 JKGE CCCN1C(=O)C(=Cc2ccc(OCc3ccccc3Cl)c(OCC)c2)C(C)=C(C#N)C1=O 2314611315 SXCXLGHNWJLBNL-UHFFFAOYSA-N 464.949 5.320 50 10 JKGE CCCc1sc(Br)cc1[C@@H](Br)c1ccccc1OCc1ccccc1 2316171621 OWXWLNYUHRDEIE-NRFANRHFSA-N 480.265 7.526 50 10 JKGE Clc1cc(I)c([C@H](Br)c2scc3c2CCCC3)s1 2316597455 RVRRZHVBIOSATR-LLVKDONJSA-N 473.626 6.431 50 10 JKGE CC(C)(C)OC(=O)N1CCC(CI)(OCC2CCCCCCC2)CC1 2319885401 WIHXLKQICNUEJX-UHFFFAOYSA-N 465.416 5.568 50 10 JKGE C[C@@H](c1ccncc1F)[C@@H](Br)c1csc(Br)c1Br 2321457257 AJILSKFDUOXODB-QUBYGPBYSA-N 457.988 6.047 50 10 JKGE CCc1ccccc1NC=C(C#N)C(=O)N1CCN(C(c2ccccc2)c2ccccc2)CC1 2324607234 YMASOGQOVJBWCK-UHFFFAOYSA-N 450.586 5.002 50 10 JKGE C[C@@H]1C[C@](CBr)(Cc2ccc(I)c(Br)c2)[C@@H](C)O1 2325218787 RYYQQICBMNAPJH-GPCCPHFNSA-N 488.001 5.175 50 10 JKGE N#CC(=Cc1cccc(Br)c1)C(=O)Nc1cc(C(F)(F)F)cc(C(F)(F)F)c1 2329696422 QHESVPMIQDNADK-UHFFFAOYSA-N 463.175 6.032 50 10 JKGE COC(=O)c1c(NC(=O)C(C#N)=Cc2ccc(OC)c(OC)c2)sc(C)c1-c1ccccc1 2329703165 NQZOOBRFAVKPFN-UHFFFAOYSA-N 462.527 5.073 50 10 JKGE N#CC(=C(O)c1ccc(N2CCCC2)c([N+](=O)[O-])c1)c1nc(-c2ccc(Cl)cc2Cl)cs1 2331254730 TWEGJXMBRNRYOW-UHFFFAOYSA-N 487.368 6.575 50 10 JKGE N#CC(=C(O)c1ccc(Cl)c(Cl)c1)c1nc(-c2cccc(Br)c2)cs1 2331279363 OGBMZGTWDZIGKN-UHFFFAOYSA-N 452.160 6.829 50 10 JKGE CCc1ccc(OCCCC(O)=C(C#N)c2nc(-c3ccccc3OC)cs2)c(Br)c1 2331282254 WCNDZCUGDXYJBK-UHFFFAOYSA-N 499.430 6.795 50 10 JKGE CCc1cccc(CC)c1N1C[C@H](C(O)=C(C#N)c2nc(-c3ccc(F)cc3F)cs2)CC1=O 2331286609 PARBKNVLEVEJOL-QGZVFWFLSA-N 479.552 6.059 50 10 JKGE CCc1cccc(CC)c1N1C[C@H](C(O)=C(C#N)c2nc(-c3cc(C)ccc3OC)cs2)CC1=O 2331323546 CEGVSSZYHJYHSC-HXUWFJFHSA-N 487.625 6.098 50 10 JKGE CCCCCCCOc1ccc(-c2csc(C(C#N)=C(O)COc3ccc(Cl)cc3)n2)cc1 2331345446 LCDRRTBZOZEQBW-UHFFFAOYSA-N 483.033 7.684 50 10 JKGE Cc1cc(C)c(C)c(-c2csc(C(C#N)=C(O)C=Cc3ccc(OCc4ccccc4)cc3)n2)c1C 2331366519 ZYYAKWZECFWAIP-UHFFFAOYSA-N 492.644 8.129 50 10 JKGE COc1ccc(OCCCC(O)=C(C#N)c2nc(-c3cc(Cl)cc(C)c3OC)cs2)cc1 2331392240 HPIKZAQAFFJUGC-UHFFFAOYSA-N 470.978 6.441 50 10 JKGE CCCOc1ccc(-c2csc(C(C#N)=Cc3ccccc3OCc3ccc(Cl)cc3)n2)cc1 2331445422 UJOIJTKCJIGQJI-UHFFFAOYSA-N 487.024 7.895 50 10 JKGE CC1(C)[C@H]2CC[C@@H](C2)[C@@H]1[C@@H](Br)c1cc(Br)ccc1OCc1ccccc1 2336076598 AJGLNBPBHIGIPE-QPAOKJHLSA-N 478.268 7.536 50 10 JKGE Cn1nc([C@H](Br)c2c(Cl)cc(Br)c(F)c2Br)cc1Cl 2337083548 AUASGSCVZRUKBO-VIFPVBQESA-N 495.799 5.875 50 10 JKGE FC1(F)C[C@]12CCC[C@@H]([C@@H](Br)c1sc(Cl)cc1I)C2 2338560485 LXRZNESHHWQBKR-NYRNMGCKSA-N 481.571 6.658 50 10 JKGE COc1c(Br)cc(C)c([C@@H](Cl)c2csnc2Br)c1Br 2339683848 HUZRHICRRALZFG-JTQLQIEISA-N 490.442 6.076 50 10 JKGE CC1(C)CCC(CBr)(Cc2ccc(Cl)cc2I)CC1 2341053165 WNRYSWNDIARIMQ-UHFFFAOYSA-N 455.605 6.469 50 10 JKGE BrCC(CBr)(C[C@@H]1C[C@@H]2CC[C@H]1O2)c1ccc(Br)cc1 2355005580 NVEZRFNLNVPPJZ-TUKIKUTGSA-N 467.039 5.434 50 10 JKGE Cc1c([C@@H](Cl)c2c(F)cc(Cl)c(Br)c2Cl)nn(C)c1Br 2360482680 AVNGCIQIBCRORZ-JTQLQIEISA-N 465.375 6.028 50 10 JKGE Brc1ccc(OCc2ccccc2)c([C@H](Br)[C@@H]2CC[C@@H]3CCCC[C@H]3C2)c1 2361176763 HCMNIDCYWIZBJL-PWSZPPJVSA-N 492.295 8.071 50 10 JKGE Brc1ccc(OCc2ccccc2)c([C@H](Br)[C@@H]2CCOc3ccccc32)c1 2361179860 YWSJTOOCEYRJOJ-AUSIDOKSSA-N 488.219 7.030 50 10 JKGE Fc1c(Br)cc(Cl)c([C@H](Br)[C@@H]2[C@H]3CCC(F)(F)[C@H]32)c1Br 2362235108 KIJFGNQCUFCPLG-GGUYCOGGSA-N 497.374 6.731 50 10 JKGE COc1c(Br)cc(C)c([C@H](Br)C[C@H]2CO[C@H](C)C2)c1Br 2365191324 MYBKXCBFFZQCMX-OUAUKWLOSA-N 471.027 5.780 50 10 JKGE CN(Cc1c(Br)cccc1Br)c1nc(CCl)ccc1Br 2366159423 ALWSHKATJSACGJ-UHFFFAOYSA-N 483.429 5.744 50 10 JKGE Fc1cc([C@@H](Br)c2cc3sc(Br)cc3s2)c(Cl)cc1Cl 2379735422 QQALZQGWMVRTHI-CYBMUJFWSA-N 475.029 7.656 50 10 JKGE Cc1cccc(OCCOc2ccc(Br)cc2/C=N/NC(=O)Nc2ccccc2)c1 2849937 MJFKVPFGLMVNLS-PCLIKHOPSA-N 468.351 5.371 50 10 JKGE COCCn1c(C)cc(/C=C(C#N)/C(O)=N/c2nc(-c3ccc(OC)c(OC)c3)cs2)c1C 24691117 CIPGCFOWAGXOFK-YBFXNURJSA-N 466.563 5.087 50 10 JKGE COc1cc(/C=C(/C#N)c2ccc(Cl)cc2)ccc1OC(=O)COc1ccc(Cl)cc1 31902148 XVQPVUOXADFWLB-PDGQHHTCSA-N 454.309 6.051 50 10 JKGE N#C/C(=C/c1ccc(-n2nc(-c3ccccc3)cc2-c2ccccc2)cc1)C(=O)NCc1ccco1 33568563 QJLOOLPKLMYFLF-BWAHOGKJSA-N 470.532 6.023 50 10 JKGE CCOC(=O)/C(C#N)=C/C=C(\C=C/N(C)CC(=O)c1ccc(-c2ccccc2)cc1)c1ccccc1 34782223 ZCSYLYHOHHREAE-DIZPKTDASA-N 476.576 6.078 50 10 JKGE CCCOc1ccccc1[C@@H]1C(C#N)=C(N)Oc2cc(OC(=O)[C@@H](C)Oc3ccccc3F)ccc21 38681608 ZTYRYVYHYUXDGE-QUGAMOGWSA-N 488.515 5.206 50 10 JKGE CCOc1ccccc1C(=O)Oc1ccc2c(c1)OC(N)=C(C#N)[C@@H]2c1ccc(SC)cc1 38682574 OUNVJQKUWWBORW-XMMPIXPASA-N 458.539 5.245 50 10 JKGE Cc1ccc2c(C)c(C(=O)Oc3ccc4c(c3)OC(N)=C(C#N)[C@H]4c3cccc(Cl)c3)oc2c1 38687695 ZFVIYDXSQAIYLB-DEOSSOPVSA-N 470.912 6.140 50 10 JKGE COc1cccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4oc5ccc(C)cc5c4C)ccc32)c1OC 38688656 DZXGGJQGTOFDHU-RUZDIDTESA-N 496.519 5.504 50 10 JKGE COc1ccc(C(=O)N/N=C2\CCCc3oc(C(=O)Nc4ccccc4C(F)(F)F)c(C)c32)cc1 40813821 ZQFCJQRITCYTFI-NDZAJKAJSA-N 485.462 5.338 50 10 JKGE C[C@H](Oc1ccc(-c2ccccc2)cc1)C(=O)N/N=C/c1cn(Cc2ccccc2)c2ccccc12 40959736 HUKJBRXIKYPOBM-VCZNVQPKSA-N 473.576 6.274 50 10 JKGE Fc1cc(Br)c(Cl)cc1[C@H](Br)Cc1ccc(Cl)c(Cl)c1 97895742 KBAUUHLTPCFIES-SECBINFHSA-N 461.383 7.227 50 10 JKGE N#C/C(=C/c1ccc(COc2cccc(C(F)(F)F)c2)o1)C(=O)Nc1ccccc1[N+](=O)[O-] 98063487 KXPJBLIRAPBXSM-UVTDQMKNSA-N 457.364 5.331 50 10 JKGE CCOc1ccc(N2C(=O)[C@@H](Cc3ccccc3C)S/C2=C(/C#N)C(=O)Nc2ccccc2C)cc1 101245157 KVNNZCYLCFUKDM-SCHJHDHGSA-N 497.620 5.767 50 10 JKGE COc1cc(/C=C(/C#N)c2nc(-c3cccs3)c(NC(=O)c3ccc(Cl)cc3)s2)ccc1O 102620442 VRIBWCGKJPZRPA-WJDWOHSUSA-N 493.997 6.556 50 10 JKGE CCc1ccc(-c2csc3ncn(CC(=O)/C(C#N)=C4/Nc5ccccc5S4)c(=O)c23)cc1 103908324 PKQUKAZDTFMZHU-QJOMJCCJSA-N 470.579 5.209 50 10 JKGE N#C/C(=C/Nc1ccc(S(=O)(=O)Nc2ccc(Cl)cc2)cc1)c1nc2ccccc2o1 109347086 BFWZYPTVTZRNIF-PFONDFGASA-N 450.907 5.259 50 10 JKGE O=c1[nH]c2ccc([C@@H](Br)c3cc(Br)c(Br)s3)cc2o1 128865816 PUQDECZUVCIOHL-SNVBAGLBSA-N 467.964 5.192 50 10 JKGE COc1cc(Br)ccc1[C@@H](Br)c1cc(C)c(Br)s1 135309258 GHFMZQQSCOLPLW-GFCCVEGCSA-N 455.009 6.074 50 10 JKGE CCCOc1c(OC)cc(/C=C(/C#N)c2nc(-c3ccc(Cl)cc3)cs2)cc1[N+](=O)[O-] 169939476 WPCJYARLQRIFDA-SXGWCWSVSA-N 455.923 6.233 50 10 JKGE CCCCCOc1ccc(/C=C2\C(=O)N(CCc3ccc(OC)cc3)C(=O)C(C#N)=C2C)cc1OC 214403751 REPGHQZESSIRMS-ULJHMMPZSA-N 488.584 5.108 50 10 JKGE Cc1sc([C@H](Br)c2ccc(Br)c(Cl)c2)cc1Br 227833878 XFXJRPXBANXVKH-GFCCVEGCSA-N 459.428 6.719 50 10 JKGE COc1ccc(C[C@@H](Br)c2cc(Br)ccc2I)cc1 234962048 JTWBAKHQLQCVMO-CQSZACIVSA-N 495.980 5.741 50 10 JKGE COc1ccc([C@@H](Br)c2cccc(C)c2I)c(Br)c1 234983800 UASNPOPLFJTJPP-CQSZACIVSA-N 495.980 5.855 50 10 JKGE O=[N+]([O-])c1ccccc1C[C@H](Cl)c1cc(Br)ccc1I 236021818 ACUNVLOJUPURIW-LBPRGKRZSA-N 466.500 5.485 50 10 JKGE Cl[C@H](c1csc(Br)c1)c1cc(Br)c(Br)s1 236044947 NQICAMFTVCNESH-MRVPVSSYSA-N 451.430 6.425 50 10 JKGE O=C(NN=Cc1cc(N=Nc2ccccc2)ccc1O)C(O)(c1ccccc1)c1ccccc1 254402358 IBQRSPCRQYSSOG-UHFFFAOYSA-N 450.498 5.194 50 10 JKGE Cc1ccc(C(=O)NN=Cc2ccc(OC(=O)c3cccc4ccccc34)c([N+](=O)[O-])c2)cc1 254403688 PDYRWCJSNBYEQQ-UHFFFAOYSA-N 453.454 5.040 50 10 JKGE O=C(NN=CC1=C(N2CCOCC2)/C(=C/c2ccc(Cl)cc2)CC1)Oc1ccc2ccccc2c1 254408364 HYPLOMFIBVMZRQ-PAPMGXHVSA-N 487.987 6.031 50 10 JKGE Cc1ccc(C(=O)Oc2ccc3ccccc3c2C=NNC(=O)COc2cc(C)ccc2C(C)C)cc1 254618307 LGJLZYPZBUFAKQ-UHFFFAOYSA-N 494.591 6.328 50 10 JKGE Cc1ccc(C(=O)Oc2ccc3ccccc3c2C=NNC(=O)COc2ccc(C(C)C)cc2)cc1 254842402 HLWXQRLIHIOBSR-UHFFFAOYSA-N 480.564 6.020 50 10 JKGE Cc1cccc([C@@H](Cl)c2cc(Br)c(Cl)s2)c1I 300470497 BCUSABRIKPEGSQ-SNVBAGLBSA-N 461.977 6.405 50 10 JKGE C[C@@H](Br)C[C@@H]1CCCN1C(=O)c1cc(Br)sc1Br 310696683 UOHNCXRMORLBBK-SFYZADRCSA-N 460.029 5.051 50 10 JKGE FC(F)(F)c1csc([C@H](Cl)c2ccc(Br)c(Cl)c2)c1Br 312864765 RNDRNJRXDBABMG-SNVBAGLBSA-N 468.947 7.274 50 10 JKGE CC(C)(C)OC(=O)N1C[C@@H](CCl)[C@@H](c2cc(Br)ccc2Br)C1 382695132 UDJJNQPRIUCRAP-MFKMUULPSA-N 453.602 5.401 50 10 JKGE C[C@@]1(Cn2c(CCl)nc3ccc(F)c(Br)c32)CCCN1Cc1ccccc1 689727306 UOAWYKVNWVVXHD-NRFANRHFSA-N 450.783 5.731 50 10 JKGE C[C@@H]1CN(Cc2ccccc2)C[C@H]1Cn1c(CCCl)nc2cc(I)ccc21 708576067 VHCOPMZQABAWJN-AEFFLSMTSA-N 493.820 5.190 50 10 JKGE C[C@@H]1CN(Cc2ccccc2)C[C@@H]1Cn1c(CCl)nc2ccc(F)c(Br)c21 708580922 CSNAIMYLKCQQJY-GDBMZVCRSA-N 450.783 5.445 50 10 JKGE Cc1cc(Br)c([C@H](Br)C[C@H]2CC(C)(C)CO2)cc1Br 717120674 GBTVHNMUCXKQGR-IINYFYTJSA-N 455.028 6.161 50 10 JKGE Cc1sc([C@@H](Br)c2ccc(Br)c(F)c2)c(C)c1Br 724928837 RVAYAZGBMPVVBS-LBPRGKRZSA-N 457.000 6.513 50 10 JKGE N#C/C(=C/c1ccccc1OCc1ccc(Cl)c(Cl)c1)C(=O)Nc1ccc(Cl)cc1 1084340278 AJOGSNBGRNUCAO-ATVHPVEESA-N 457.744 6.771 50 10 JKGE Cc1ccccc1C(=O)NN=C1CCCc2oc(C(=O)Nc3ccc(Cl)c(Cl)c3)c(C)c21 1772743717 KDUYXKJXSBKDPY-UHFFFAOYSA-N 470.356 5.926 50 10 JKGE COc1cc(C=NNC(=O)COc2ccc(C)cc2Br)ccc1OCc1ccc(C)cc1 1772754809 WHVUKWKAAFFJIW-UHFFFAOYSA-N 497.389 5.183 50 10 JKGE COc1ccc([C@@H]2C(C#N)=C(N)Oc3c2c(C(F)(F)F)nn3-c2ccc(Cl)c(Cl)c2)cc1O 1865682871 ZIUFIEJQGYEAGM-MRXNPFEDSA-N 497.260 5.130 50 10 JKGE CCc1nn(-c2cccc(Cl)c2)c2c1[C@H](c1cccc(Br)c1)C(C#N)=C(N)O2 1865683190 ABCFJIKXHHFWGX-GOSISDBHSA-N 455.743 5.069 50 10 JKGE COc1ccc(-c2nn(Cc3ccc(Cl)cc3)c3c2[C@@H](c2ccc(C)cc2)C(C#N)=C(N)O3)cc1 1865685523 JTGDFXNXQUDLQU-DEOSSOPVSA-N 482.971 5.787 50 10 JKGE N#CC1=C(N)Oc2c(c(C(F)(F)F)nn2-c2ccccc2)[C@H]1c1c(Cl)cccc1Cl 1865685835 NWCJSUUVESHZNH-CQSZACIVSA-N 451.235 5.416 50 10 JKGE N#CC1=C(N)Oc2c(c(-c3ccccc3)nn2-c2ccc(Cl)cc2)[C@H]1c1cc(Cl)ccc1O 1865689058 JBISSUKGCKGORT-NRFANRHFSA-N 475.335 5.770 50 10 JKGE CCCc1nn(-c2ccc(C)cc2)c2c1[C@@H](c1ccc(OCC)c(OCC)c1)C(C#N)=C(N)O2 1865689108 JXIMUYFYTRRTHS-DEOSSOPVSA-N 458.562 5.149 50 10 JKGE CCCOc1cccc([C@@H]2C(C#N)=C(N)Oc3c2c(C(F)(F)F)nn3Cc2ccc(C)cc2)c1 1865693678 LQVWOKVHGDRDGC-HXUWFJFHSA-N 468.479 5.266 50 10 JKGE CCCc1nn(-c2ccc(Br)cc2)c2c1[C@@H](c1c[nH]c3ccccc13)C(C#N)=C(N)O2 1865699479 VFOYCWOSOHAOBM-OAQYLSRUSA-N 474.362 5.287 50 10 JKGE COc1ccc(-c2nn(Cc3ccc(C)cc3)c3c2[C@@H](c2c[nH]c4ccccc24)C(C#N)=C(N)O3)cc1 1865700352 QQTOQKHIAOWSHX-AREMUKBSSA-N 487.563 5.615 50 10 JKGE CCCc1nn(CCC)c2c1[C@@H](c1c(OCc3ccccc3)ccc3ccccc13)C(C#N)=C(N)O2 1865704542 YIFRAFUHNVPQHX-HHHXNRCGSA-N 478.596 6.196 50 10 JKGE CCCC[C@H](NC(=O)[C@H](Cc1ccccn1)c1ccccc1)C(=O)Nc1ccc(SC#N)cc1 1866695714 KEYCZJFPSGEPMS-RPBOFIJWSA-N 472.614 5.295 50 10 JKGE Cc1nc(C(C)C)c(C(=O)N[C@@H](Cc2ccc(F)cc2)C(=O)Nc2ccc(SC#N)cc2)s1 1867154395 OZCAACQDQVCWSA-FQEVSTJZSA-N 482.606 5.267 50 10 JKGE CC[C@H](C)[C@H](/C(O)=C(\C#N)c1nc(-c2ccc([N+](=O)[O-])cc2)cs1)N1C(=O)c2ccccc2C1=O 1872747281 VYFGMLCFLCHZDO-RRICSCRSSA-N 488.525 5.222 50 10 JKGE Cc1ccc(C)c(-c2csc(/C(C#N)=C(\O)CN3C(=O)c4ccc(Br)cc4C3=O)n2)c1 1872749902 MSNFCKLZVHPPSH-ZZEZOPTASA-N 494.370 5.278 50 10 JKGE N#C/C(=C\c1ccccc1OCc1ccccc1Cl)c1nc(-c2ccc3c(c2)CCCC3)cs1 1872782534 LJODBFFUNFFWSD-PCLIKHOPSA-N 483.036 7.985 50 10 JKGE CCOc1cc(/C=C(\C#N)c2nc(-c3ccc(F)c(F)c3)cs2)ccc1OCc1ccccc1C 1872793176 LYQKGMHJKLYUKB-WSDLNYQXSA-N 488.559 7.439 50 10 JKGE O=C(c1ccc2cc(Br)ccc2c1)N(CCCBr)Cc1ccccc1 1914648257 SEEIRQXEWFXSQF-UHFFFAOYSA-N 461.197 6.030 50 10 JKGE CC[C@H](C)c1ccc(S(=O)(=O)N(Cc2ccccc2)C2(CBr)CCC2)cc1 1915757371 ZDTQBDWMXACELX-SFHVURJKSA-N 450.442 5.709 50 10 JKGE COc1cc(Br)ccc1[C@H](Cl)c1sc(Br)cc1Br 1922953225 ATROEWLNGHUWET-NSHDSACASA-N 475.427 6.372 50 10 JKGE CCC[C@H](CC(C)C)[C@H](Br)c1c(Br)sc(Br)c1Cl 1923050309 SOAKYAZMHNDWCB-SCZZXKLOSA-N 481.519 7.825 50 10 JKGE Clc1c(Br)sc(Br)c1[C@@H](Br)[C@@H]1COc2ccccc21 1923068546 TUGUUFHNXUYNNB-XCBNKYQSSA-N 487.438 6.539 50 10 JKGE FC1(F)[C@H]([C@H](Cl)c2c(Br)sc(Br)c2Br)C12CCCC2 1924569246 SAVQGTHTMIJLCD-HTQZYQBOSA-N 499.440 7.141 50 10 JKGE C[C@@H](CC(F)(F)F)[C@@H](Cl)c1c(Br)sc(Br)c1Br 1924605960 ZFAAUFABHRBUCO-BBIVZNJYSA-N 479.381 6.904 50 10 JKGE CCc1cc(Br)c([C@@H](Br)c2cscc2OCc2ccccc2)s1 1939527703 MRZIZUCUENTTLU-KRWDZBQOSA-N 472.267 7.198 50 10 JKGE C[C@@H](c1ccncc1Br)[C@@H](Br)c1cc(I)sn1 2007644723 QMNYACUZVYTYEF-UPONEAKYSA-N 487.986 5.145 50 10 JKGE FC(F)(F)CC1([C@H](Br)c2cc(Br)c(Br)s2)CC1 2007730289 DARRHGWYMXWLJV-SSDOTTSWSA-N 456.947 6.442 50 10 JKGE CCc1cc(Br)c([C@@H](Br)Cc2ccccc2Br)s1 2029233789 XKQUZHXUNFGKIA-LBPRGKRZSA-N 453.037 6.514 50 10 JKGE Cc1cc(Br)c(CBr)c(N(C)[C@@H]2C[C@H](C)N(Cc3ccccc3)C2)c1 2053206891 VLFFUAZRXYIJAB-FUHWJXTLSA-N 466.261 5.752 50 10 JKGE Cc1cscc1[C@H](Br)c1c(C)c(Br)cc(C)c1Br 2081072880 ZGFDRSZIEHFYKH-AWEZNQCLSA-N 453.037 6.683 50 10 JKGE Fc1cc(Cl)c([C@H](Br)Cc2ccccc2I)cc1F 2087570628 UFQLSBPVZNICNB-SNVBAGLBSA-N 457.483 5.902 50 10 JKGE O=C(c1csc(Br)c1Br)N1CC[C@@H]2C[C@@H](Br)CC[C@H]21 2093947108 PDBCOHOVRQJCBW-KHQFGBGNSA-N 472.040 5.051 50 10 JKGE Cl[C@H](c1cc(C2CC2)c(Br)s1)c1cccc(Br)c1Br 2094668920 LNCAEHJGMNNHFU-ZDUSSCGKSA-N 485.466 7.241 50 10 JKGE C[C@@H]1CCO[C@H]1CC(CBr)(CBr)c1ccccc1Br 2096124051 DMXWPAKUEMGKDS-RISCZKNCSA-N 455.028 5.292 50 10 JKGE CC12CC([C@H](Br)c3cc(Br)sc3Br)(C1)C1(CCC1)O2 2101239448 AMUQXFIVSDQMLC-QFWMXSHPSA-N 471.052 6.201 50 10 JKGE Brc1cnc(N2CCC[C@@H]3CC[C@H](Br)C[C@@H]32)c(Br)c1 2110684872 CDXNSKWBADPTPM-NRUUGDAUSA-N 453.016 5.139 50 10 JKGE Cc1c(Cl)cc([C@@H](Br)c2c(Cl)sc(Cl)c2Cl)cc1Br 2111087183 RAHIZSKSKVWHCP-SECBINFHSA-N 483.867 7.917 50 10 JKGE C[C@@H](CCCCCI)NC(=O)c1ccc(Br)c(Cl)c1 2117895538 SIYFHVMFDRLKNM-JTQLQIEISA-N 458.565 5.216 50 10 JKGE CC1(C)CCCN(C(=O)c2scc(Br)c2Br)[C@@H]1CBr 2129328662 UQNJLSRQXSTHSO-SECBINFHSA-N 474.056 5.299 50 10 JKGE COC[C@@H](C)CCC(CBr)(CBr)c1ccccc1Br 2130999010 NWKGDEWVJJJOBI-LBPRGKRZSA-N 457.044 5.539 50 10 JKGE Cc1c(Br)ccc([C@@H](Br)[C@@]23CC[C@@H](C2)[C@H](C)O3)c1Br 2138847859 BAJSJOHLLVNSDF-NBLIUIFLSA-N 453.012 5.914 50 10 JKGE O=C(c1cccc(Br)c1Br)N1CCC(CCCBr)CC1 2148750012 JXOIOBIMJDBAOG-UHFFFAOYSA-N 468.027 5.239 50 10 JKGE CC(C)(CO[C@@](C)(CI)c1ccccc1Br)C(F)(F)F 2150636417 ZGPDZEDYULGETL-ZDUSSCGKSA-N 465.091 5.704 50 10 JKGE COc1c(C)cc(Br)c(C)c1[C@@H](Br)c1cc(Cl)c(Cl)s1 2156050088 KQZNGPAAOJGCEP-LBPRGKRZSA-N 459.030 6.927 50 10 JKGE CCCOc1ccc([C@H](Br)c2scc(C)c2Br)cc1Br 2157035625 MSAJUXIBKRLSEA-AWEZNQCLSA-N 483.063 6.855 50 10 JKGE C[C@H]1CC[C@H](CCC(CBr)(CBr)c2ccccc2Br)O1 2161113972 LUYXTFJKXAMSFA-QWHCGFSZSA-N 469.055 5.824 50 10 JKGE FC1(F)[C@@H]2CC(COc3c(Br)cc(CBr)cc3Br)C[C@H]21 2164326586 HOLJXQOEDQCSAQ-NXEZZACHSA-N 474.965 5.777 50 10 JKGE C[C@H]1CN(Cc2ccccc2)C[C@@H]1Cn1c(CCl)nc2cc(Cl)c(Br)cc21 2169015077 HVFYLFZXRBVZMP-GOEBONIOSA-N 467.238 5.959 50 10 JKGE Brc1cc([C@@H](Br)c2cc3c(cc2Br)OCCCO3)ns1 2176540228 ULPJITUZTPBILD-ZDUSSCGKSA-N 484.007 5.314 50 10 JKGE CCN(CCCOCc1ccccc1)S(=O)(=O)c1cc(Cl)cc(CBr)c1Cl 2179858636 RDAFFLUSGDSOLP-UHFFFAOYSA-N 495.266 5.506 50 10 JKGE C[C@@H]1C[C@@H](n2c(CCl)nc3cc(Cl)c(Br)cc32)CN(Cc2ccccc2)C1 2184260213 IKVOSYSGTIVRMR-GDBMZVCRSA-N 467.238 6.274 50 10 JKGE CC(C)(C)[C@H]1[C@@H](Br)CCN1C(=O)c1cc(Br)cc(Br)c1 2185100091 MXLXYEWSMUYEHW-QWHCGFSZSA-N 468.027 5.236 50 10 JKGE Brc1ccc([C@H](CI)O[C@H]2CCOC3(CCC3)C2)cc1 2197366094 DIDWKSARVDMROF-GJZGRUSLSA-N 451.142 5.044 50 10 JKGE COc1cc2c(cc1Br)nc([C@H](C)Cl)n2CCCCOCc1ccccc1 2202311660 IEAALDUORRKJFC-HNNXBMFYSA-N 451.792 6.104 50 10 JKGE COc1cc(Cl)c([C@H](Br)c2ccc(Cl)cc2Cl)cc1Br 2202347554 LSOMQFNIIIFIEQ-CQSZACIVSA-N 459.392 6.902 50 10 JKGE COc1cc(F)c([C@H](Br)c2cc(Cl)cc(Br)c2)cc1Br 2202904496 SJXFZFHIUKFBGP-CQSZACIVSA-N 487.388 6.497 50 10 JKGE COc1c(Cl)cc(Br)cc1[C@@H](Br)c1cccc(Br)c1C 2203003801 OPDSIAKNBCVQIF-AWEZNQCLSA-N 483.425 6.666 50 10 JKGE Clc1cc(CN2C[C@H]3CCC[C@@](CBr)(C3)C2)ccc1I 2208028326 CZRZYTLDIWOTBM-BBRMVZONSA-N 468.604 5.332 50 10 JKGE COc1cc(CBr)cc(Cl)c1OC[C@H]1CC1(Br)Br 2218002068 YMYUWZKQAWWGEY-MRVPVSSYSA-N 463.391 5.128 50 10 JKGE Cc1cc(Br)c([C@H](Br)c2ccc(F)c(Br)c2F)s1 2221844022 TUZQSQOQPQOFAO-SECBINFHSA-N 460.963 6.344 50 10 JKGE Cc1cc(Br)c([C@H](Cl)c2ccc(I)cc2)c(C)c1Cl 2224313609 UTKGDOOZLMOLCI-OAHLLOKOSA-N 469.975 6.652 50 10 JKGE C[C@@H](CCn1c(CCl)nc2cc(Br)c(Br)cc21)N(C)Cc1ccccc1 2225700224 DPPHXUXKXOQIOI-AWEZNQCLSA-N 499.678 6.211 50 10 JKGE COc1cc(Br)c([C@@H](Br)c2cc(C)c(Br)s2)cc1C 2227714227 QOMVOUBBBIJUKI-CYBMUJFWSA-N 469.036 6.383 50 10 JKGE COCc1cc(Br)c([C@H](Cl)c2cc(C)ccc2I)s1 2232219311 FBXUVIQYAGUZSX-CYBMUJFWSA-N 471.585 5.898 50 10 JKGE CCCN[C@H](c1c(Br)cc(Cl)c(Cl)c1Cl)[C@H]1C[C@H](Br)C1 2232525877 FHLWZFSVJSAPNU-FZVNPBSJSA-N 464.456 6.624 50 10 JKGE Cc1cc(Br)c([C@H](Br)C[C@@H]2C[C@@H]2C(F)(F)F)c(C)c1Br 2235607843 HHWYYROCFGYDDY-ATZCPNFKSA-N 478.972 6.853 50 10 JKGE Cc1cc(Cl)c(Br)cc1[C@@H](Br)c1cc(C)c(Br)c(C)c1 2235684410 ZMLJYTXYASANMJ-INIZCTEOSA-N 481.453 7.275 50 10 JKGE C[C@@H]1C[C@@H]1CCCCOC1(CI)CCN(C(=O)OC(C)(C)C)CC1 2248459915 CUUCECLROMBSKG-CVEARBPZSA-N 451.389 5.034 50 10 JKGE CCc1cc([C@@H](Br)c2cc(C)cc(Br)c2)sc1Br 2256052998 JWRJOXDHRCYTPK-ZDUSSCGKSA-N 453.037 6.628 50 10 JKGE Fc1cc(Br)c(F)c(Br)c1[C@H](Br)[C@@H]1CC[C@@H]2C[C@H]2C1 2272735823 WAZQGPMUIFLTQP-HZLHGAJGSA-N 458.966 6.362 50 10 JKGE Brc1cc(Br)cc(C[C@H](Br)[C@@H]2C[C@@H]3CC[C@H](C2)O3)c1 2277957925 YPEPCBKSXOIFCK-PUPMMZHASA-N 453.012 5.475 50 10 JKGE Fc1cccc([C@@H](Cl)Cc2cc(Br)cc(Br)c2)c1Br 2277957991 ZJZSRXAMNOMMHY-LBPRGKRZSA-N 471.389 6.636 50 10 JKGE Brc1cc(Br)cc(C[C@@H](Br)[C@@H]2COC3(CCC3)C2)c1 2277961162 PRSRTRPSKLMHFC-SMDDNHRTSA-N 453.012 5.477 50 10 JKGE COc1cc(C)c(Br)c(C)c1[C@@H](Br)c1ccc(Br)cc1 2285073738 BEVRIPKMDKYNFR-INIZCTEOSA-N 463.007 6.321 50 10 JKGE COc1ccc(Br)c2c1nc([C@H](C)Cl)n2C[C@H](C)COCc1ccccc1 2286082820 JFFACPNABZXFLF-GJZGRUSLSA-N 451.792 5.960 50 10 JKGE CC1([C@H](Br)c2c(F)cc(Br)c(F)c2Br)CC2(CCC2)C1 2288345351 QLVYRRSZZNSIDF-CYBMUJFWSA-N 472.993 6.896 50 10 JKGE CC1(C)CCC[C@@H]([C@H](Br)c2c(F)cc(Br)c(F)c2Br)C1 2288347846 YWQCBIRSIJMINU-PELKAZGASA-N 475.009 7.142 50 10 JKGE CCc1nn(C)c([C@H](Br)c2cc3sc(Br)cc3s2)c1Cl 2295498408 RDCGZZZGQQUNTO-LLVKDONJSA-N 454.640 6.159 50 10 JKGE CC(C)Cc1ccc(-c2csc(C(C#N)=CNc3ccccc3OC(F)(F)[C@H](F)Cl)n2)cc1 2295945840 FVZOOBHJHGRJRP-QHCPKHFHSA-N 491.966 7.491 50 10 JKGE CN(c1ncc(Br)cc1Br)[C@H](CBr)Cc1ccccc1 2296339741 VDOOQZGOXNBJKI-ZDUSSCGKSA-N 463.011 5.049 50 10 JKGE COc1ccc(C=C(C#N)C(=O)N2N=C3C(=Cc4ccccc4)CCC[C@@H]3[C@H]2c2ccccc2)cc1 2296793016 WBSOGOCKXCLARZ-MFMCTBQISA-N 473.576 6.425 50 10 JKGE CN(C)c1oc(C=Cc2ccccc2)nc1[P+](c1ccccc1)(c1ccccc1)c1ccccc1 2297497953 NOQGFFUQIQTYLO-UHFFFAOYSA-N 475.552 5.530 50 10 JKGE Cc1cc([N+](=O)[O-])ccc1NC(=O)C(C#N)=Cc1cc(Br)ccc1OCc1ccccc1 2297551323 AMFCZQLQROZLBI-UHFFFAOYSA-N 492.329 5.790 50 10 JKGE Brc1ccc(OCc2ccccc2)c([C@H](Br)[C@]23COC[C@H](C2)C3)c1 2299495703 RIONPQFNBZJDGG-YSSFQJQWSA-N 452.186 5.891 50 10 JKGE Brc1ccc(OCc2ccccc2)c([C@H](Br)[C@H]2C[C@@H]2C2CCC2)c1 2299499767 ZWLLRAOFZQYSEY-LVCYWYKZSA-N 450.214 6.900 50 10 JKGE Cc1cccc([C@@H](Br)c2sc(Cl)cc2I)c1Cl 2300996962 BKMOIXSJCAGSBF-SNVBAGLBSA-N 461.977 6.452 50 10 JKGE BrC[C@H](Cc1ccc(I)c(Br)c1)C1CCCC1 2306221571 JQNPONOLKWYOMM-LBPRGKRZSA-N 472.002 5.798 50 10 JKGE Cc1cc(C=C(C#N)C(=O)Nc2ccc(Cl)c(Cl)c2)c(C)n1-c1ccc(C(=O)O)c(Cl)c1 2313562495 UCVXTVYFNSHNDP-UHFFFAOYSA-N 488.758 6.298 50 10 JKGE CO[C@@H]1CCC[C@H]([C@H](Br)c2cc(Br)ccc2OCc2ccccc2)C1 2314441502 ZHWACCGJBQBMDV-CDXJDZJCSA-N 468.229 6.669 50 10 JKGE CC1(C)OCCO[C@H]1[C@@H](Br)c1ccc(OCc2ccccc2)cc1Br 2314442231 AVBCYVWOCRIYPK-OALUTQOASA-N 470.201 5.658 50 10 JKGE CCCOc1cccc(-c2nn(-c3ccccc3)cc2C=C(C#N)C(=O)NCc2ccco2)c1 2314476327 MUSWSSGRJZMDLQ-UHFFFAOYSA-N 452.514 5.144 50 10 JKGE CCOC(=O)c1ccc(-c2ccc(C=C3C(=O)N([C@@H](C)c4ccccc4)C(=O)C(C#N)=C3C)o2)cc1 2314618747 STNKUNRNBCPLCJ-IBGZPJMESA-N 480.520 5.477 50 10 JKGE CSc1ccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)C=Cc4ccc(Cl)cc4)ccc32)cc1 2314634426 RNIJFJKWQGEYBB-VWLOTQADSA-N 474.969 5.899 50 10 JKGE CC(C)C(C)(C)[C@H](Br)c1c(Cl)cc(Br)c(F)c1Br 2315444295 VAIWQFSBPPHQBG-GFCCVEGCSA-N 465.426 7.122 50 10 JKGE CCCCCC[C@@H](Br)c1c(Cl)cc(Br)c(F)c1Br 2315449492 PTZDXUREPPMYKS-MRVPVSSYSA-N 465.426 7.411 50 10 JKGE Ic1cccc(CO[C@@H]2CCCCCC[C@@H]2I)c1 2319029844 KODKSSWYVASANN-LSDHHAIUSA-N 470.132 5.334 50 10 JKGE C[C@@H](NC(=O)C(C#N)=CNc1ccccc1Sc1ccccc1)c1ccc2c(c1)CCCC2 2325108082 NULCKNCIUUHLQJ-HXUWFJFHSA-N 453.611 6.413 50 10 JKGE Brc1cccc(Br)c1CN1CC[C@H]2CC[C@H](Br)[C@@H]1C2 2330961943 BSAHGFYZKAOZII-ONERCXAPSA-N 452.028 5.350 50 10 JKGE CCc1cccc(CC)c1N1C[C@H](C(O)=C(C#N)c2nc(-c3ccc(OC)c(C)c3)cs2)CC1=O 2331259252 HACKMUCLWJGSOH-OAQYLSRUSA-N 487.625 6.098 50 10 JKGE COc1ccc(CCN2C[C@H](C(O)=C(C#N)c3nc(-c4ccc(C)cc4)cs3)CC2=O)cc1OC 2331312268 AVURCEPTCFQUQX-HXUWFJFHSA-N 489.597 5.020 50 10 JKGE COc1ccc(OC)c(-c2csc(C(C#N)=C(O)[C@@H]3CC(=O)N([C@@H](C)c4ccccc4)C3)n2)c1 2331325076 GTZLGSHUZNMJBD-FUHWJXTLSA-N 475.570 5.230 50 10 JKGE CCCCCCOc1ccc(C(O)=C(C#N)c2nc(-c3ccc4c(c3)OCCO4)cs2)cc1 2331330042 NKOQLOKZWQAZLW-UHFFFAOYSA-N 462.571 6.490 50 10 JKGE COc1cc(OC)c(-c2csc(C(C#N)=C(O)COc3ccc(Cl)c(C)c3)n2)cc1Cl 2331378704 SSIWSRVYEOCZDT-UHFFFAOYSA-N 477.369 6.314 50 10 JKGE N#CC(=Cc1ccc(OC(=O)c2ccccc2)cc1)c1nc(-c2ccc(Cl)c(Cl)c2)cs1 2331444012 ZOWFKPZIXGUZDA-UHFFFAOYSA-N 477.372 7.400 50 10 JKGE CCCCOc1ccc(C=C(C#N)c2nc(-c3ccc4c(c3)OCCO4)cs2)cc1OCC 2331451354 UXCXRQVFFCXWCI-UHFFFAOYSA-N 462.571 6.223 50 10 JKGE Brc1cc(OCc2ccccc2)ccc1[C@H](Br)c1ccc2c(c1)COC2 2336049555 DJYYBOFYEYBDRO-JOCHJYFZSA-N 474.192 6.543 50 10 JKGE Brc1cc(Br)cc(CO[C@H](CI)c2ccccc2)c1 2337104623 PWXKJNZUDRAFFE-OAHLLOKOSA-N 495.980 5.905 50 10 JKGE Cc1cc(C)c([C@H](Br)c2c(Br)c(Br)nn2C)c(C)c1 2338860896 NYMPQTOXXFBUEJ-NSHDSACASA-N 451.000 5.355 50 10 JKGE COCC1([C@@H](Br)c2c(C)cc(Br)c(F)c2Br)CCC1 2339654069 PCEXJLNEZONSGG-ZDUSSCGKSA-N 458.991 5.912 50 10 JKGE COc1c(Br)cc(C)c([C@H](Br)[C@@H]2CO[C@@H](C)C2)c1Br 2339689194 NGIAXDIXDHTMCU-HOTUBEGUSA-N 457.000 5.390 50 10 JKGE O=C(Nc1cccc(CBr)c1)c1ccc(Cl)cc1I 2340056045 VWKGEUHAUPKSFP-UHFFFAOYSA-N 450.501 5.092 50 10 JKGE Clc1cc(Cl)c(OCc2sc(Cl)cc2Br)c(CBr)c1 2345951948 LHJNSWGNRDCWOJ-UHFFFAOYSA-N 465.421 6.945 50 10 JKGE ClC[C@]1(Cc2ccc(I)c(Br)c2)CCC=CCCC1 2349841310 IQLHIMXMCTZFNV-MRXNPFEDSA-N 453.589 6.342 50 10 JKGE Cc1ccc([C@@H](CBr)Cc2ccc(I)c(Br)c2)cc1 2349841636 JYLCDQVMVUYDFZ-CQSZACIVSA-N 494.008 6.083 50 10 JKGE Fc1cc(Cl)c(Br)c(Cl)c1[C@@H](Br)c1cc2cscc2s1 2360496297 DYMUOFDFJMZSRN-LBPRGKRZSA-N 475.029 7.656 50 10 JKGE Fc1c(Br)cc(Cl)c([C@H](Cl)c2cc3c(s2)CCC3)c1Br 2362238285 IJSQVQNSIXHODC-CYBMUJFWSA-N 459.005 6.883 50 10 JKGE Fc1c(Br)cc(Cl)c([C@@H](Cl)[C@@H]2CC23CC(F)(F)C3)c1Br 2362250727 GRCLZZBHCMDEOF-RRAGMBSWSA-N 452.923 6.719 50 10 JKGE Cc1cc(Br)c(F)c(Br)c1[C@H](Cl)c1ccc(Br)c(F)c1 2365188452 LJGUVBKFLJGIGX-CYBMUJFWSA-N 489.379 6.889 50 10 JKGE COc1c(Br)cc(C)c([C@H](Br)[C@@H]2CCC[C@@H](F)C2)c1Br 2365191040 KSARFLNTBCILOK-GIPNMCIBSA-N 473.018 6.493 50 10 JKGE COC1(C[C@@H](Br)c2c(C)cc(Br)c(F)c2Br)CCCC1 2365191735 QTJAEGCXWDWARM-LLVKDONJSA-N 473.018 6.444 50 10 JKGE Cc1cc(Br)c(F)c(Br)c1[C@H](Br)c1ccc(F)cc1Cl 2365216626 WFYWXHIPDHLGHB-GFCCVEGCSA-N 489.379 6.936 50 10 JKGE COc1c(Br)cc(C)c([C@@H](Br)[C@@H]2[C@H]3C[C@@H]4[C@H]2[C@@H]4C3)c1Br 2365217057 AGXJZPFQGUHFTL-WRAJATILSA-N 465.023 5.867 50 10 JKGE Cc1cc(Br)c(F)c(Br)c1[C@H](Br)[C@@]1(C)C[C@@H]1C(F)(F)F 2365222669 FZDHDLJXVACCEA-QILRFPOHSA-N 482.935 6.684 50 10 JKGE Cn1nc(C(F)F)c(CBr)c1Oc1cc(Br)cc(Br)c1 2365320571 HKTYJJXTWAUELE-UHFFFAOYSA-N 474.925 5.570 50 10 JKGE Fc1cc([C@@H](Cl)Cc2cc(Br)cc(Br)c2)c(Cl)cc1Cl 2379771356 TUCYVMQIEKNWMD-NSHDSACASA-N 461.383 7.180 50 10 JKGE COc1ccc(C[C@@H]2S/C(=C(\C#N)C(=O)Nc3ccc(C)cc3)N(c3ccc(C)c(C)c3)C2=O)cc1 2335278 QOVLCFUCSQMTIO-OAUQLRMZSA-N 497.620 5.685 50 10 JKGE N#C/C(=C/c1ccc(OCc2ccc(Cl)cc2)c(Br)c1)c1nc2ccccc2[nH]1 16525053 OBROXFPCZMOUSE-BOPFTXTBSA-N 464.750 6.622 50 10 JKGE COc1ccc(/C(C#N)=C\c2ccc(OC(=O)c3ccccc3Br)c(OC)c2)cc1OC 31902042 ISZRDKDQCRROGQ-PDGQHHTCSA-N 494.341 5.758 50 10 JKGE N#C/C(=C/c1ccc(OC(F)F)cc1)C(=O)Nc1cc2c(cc1Cl)C(=O)c1ccccc1C2=O 33793840 AAISBRNPEBEAPQ-ZROIWOOFSA-N 478.838 5.262 50 10 JKGE N#C/C(=C\c1c[nH]nc1-c1ccccc1)c1nc(-c2cc3cc(Cl)ccc3oc2=O)cs1 35519179 UUXFMGMRXBLNCR-LZYBPNLTSA-N 456.914 6.024 50 10 JKGE N#C/C(=C/c1cn(-c2ccccc2)nc1-c1ccccc1)C(=O)Nc1cc(Cl)cc(Cl)c1 35519341 MRLGJOPTIHMGFQ-WQRHYEAKSA-N 459.336 6.392 50 10 JKGE N#C/C(=C\c1ccccc1OCC(=O)Nc1ccccc1)c1nc(-c2ccc(F)cc2)cs1 35519795 LLZUCSWFJQXCEM-XSFVSMFZSA-N 455.514 6.031 50 10 JKGE Cn1c(/C(C#N)=C/c2c(Oc3ccc(C(C)(C)C)cc3)nc3ccccn3c2=O)nc2ccccc21 35549665 YHUBKVZFWGCOFX-HTXNQAPBSA-N 475.552 5.735 50 10 JKGE Cc1ccccc1OCC(=O)Oc1ccc2c(c1)OC(N)=C(C#N)[C@H]2c1cccc(OCCC(C)C)c1 38684642 GZRFTKDTZLMKLF-LJAQVGFWSA-N 498.579 5.623 50 10 JKGE Cc1c(C(=O)N2c3ccc(F)cc3CC[C@@H]2C)oc2c1/C(=N/NC(=O)c1ccc(Cl)cc1)CCC2 40811622 ZTIGWGRRATUJND-ZEGMAUPVSA-N 493.966 5.832 50 10 JKGE CCOc1ccc([C@@H](O)CCC(=O)N/N=C/c2ccc(-c3cccc(Cl)c3Cl)o2)cc1 58892786 UDCSYSXNKFXENB-MOYYISEASA-N 461.345 5.616 50 10 JKGE COc1cc(/C=C(/C#N)C(=O)Nc2ccc(Cl)c(Cl)c2)ccc1OC(=O)c1ccc(C)cc1 59117542 OWVPMQZVUJULQL-WQRHYEAKSA-N 481.335 6.075 50 10 JKGE Cc1ccc(NC(=O)/C(C#N)=C\c2cc(Cl)c(OCc3cccc4ccccc34)c(Cl)c2)cc1 59335278 PHPDYGKARNTGHR-XKZIYDEJSA-N 487.386 7.580 50 10 JKGE Cl[C@@H](c1ccc(I)cc1)c1cc(Br)sc1Br 71087860 CQAVSFZCWDDKLT-JTQLQIEISA-N 492.401 6.206 50 10 JKGE CCc1ccc(N2C(=O)[C@H](Cc3ccc(F)cc3)S/C2=C(/C#N)C(=O)N[C@H](C)c2ccccc2)cc1 101242941 POEBIVJOVOZLOY-PZJRUVIDSA-N 499.611 5.692 50 10 JKGE CCCCOC(=O)c1cccc(NC(=O)[C@H](Br)[C@@H](Br)c2ccccc2)c1 101643402 KXBBTKZCHSLLKG-ZWKOTPCHSA-N 483.200 5.482 50 10 JKGE O=[N+]([O-])c1cccc(/N=N/N(C[C@@H](Br)CBr)c2cccc([N+](=O)[O-])c2)c1 103750220 CJZKVDPHWZYQRM-JPFDUWQRSA-N 487.108 5.167 50 10 JKGE Fc1cccc(C(CBr)(CBr)Cc2ccc(Br)s2)c1 118671389 FJZYYVOZGAQXNA-UHFFFAOYSA-N 471.027 5.920 50 10 JKGE COc1ccc(Br)c(C[C@H](CBr)c2ccccc2Br)c1 118867732 FDUYAZZCWSLCOH-GFCCVEGCSA-N 463.007 5.941 50 10 JKGE CCn1nc(C)c(Br)c1CC(CBr)(CBr)c1ccccc1 118876574 NZINSFFOGYREHF-UHFFFAOYSA-N 479.054 5.244 50 10 JKGE Clc1ccc(CC(CBr)(CBr)c2cccc(Br)c2)cc1 118878711 UAVZUQCQNDPOIO-UHFFFAOYSA-N 481.453 6.373 50 10 JKGE Cc1cccc(-n2c(CCCl)nc3cc(I)ccc32)c1Br 131941568 FOKCGQOCZLJSHO-UHFFFAOYSA-N 475.555 5.482 50 10 JKGE CCCCCCOc1ccc(/C=C(/C#N)C(=O)Nc2nc(C)c(C(=O)OCC)s2)cc1OC 206238224 OZIFGMYUYSNHJF-AQTBWJFISA-N 471.579 5.142 50 10 JKGE C[C@@H](NC(=O)/C(C#N)=C\Nc1ccccc1Sc1ccccc1)c1ccc2c(c1)CCCC2 217201191 NULCKNCIUUHLQJ-QUOHCSHWSA-N 453.611 6.413 50 10 JKGE Cc1ccc(/C=C(\C#N)C(=O)N2N=C3/C(=C\c4ccccc4)CCC[C@@H]3[C@@H]2c2ccccc2)cc1 229263345 FXTNDRZPXFXGSK-FXKPGWKJSA-N 457.577 6.725 50 10 JKGE CCCOc1ccc([C@@H](Br)c2ccoc2Br)cc1Br 233251387 MWLOPCDQYSZAMR-CYBMUJFWSA-N 452.968 6.078 50 10 JKGE COc1ccc(Cl)cc1[C@H](Cl)c1cc(Br)ccc1I 234883556 SNDHAWJTFPFRMU-CQSZACIVSA-N 471.947 6.044 50 10 JKGE COc1ccc(C=NNC(=O)Cc2csc(Nc3cccc(C(F)(F)F)c3)n2)cc1Cl 254395972 BYOYQTZVMQWSPA-UHFFFAOYSA-N 468.888 5.260 50 10 JKGE O=C(NN=Cc1c2ccccc2cc2ccccc12)/C(=C\c1cccs1)NC(=O)c1ccccc1 254696207 IRXLAMSMWCMDNY-DRVVCMDQSA-N 475.573 5.976 50 10 JKGE CC(=NNC(=O)c1cc2c(C)nn(-c3ccccc3)c2s1)c1ccc(C2CCCCC2)cc1 263629272 WWDFNVRMQYMDIX-UHFFFAOYSA-N 456.615 6.597 50 10 JKGE BrCc1cc(Br)cc(Br)c1OCCC[C@H]1CCCO1 311918328 DGUCLHMYLSLUNE-GFCCVEGCSA-N 457.000 5.445 50 10 JKGE C[C@H](Cl)c1nc2cccnc2n1-c1cc(Br)ccc1I 312227952 DRDUZNVJUUAVPD-QMMMGPOBSA-N 462.516 5.087 50 10 JKGE Brc1ccc([C@@H](Br)c2ccccc2OCc2ccccc2)c2ccccc12 312911930 KWWBIISSMJTRRJ-XMMPIXPASA-N 482.215 7.666 50 10 JKGE C[C@H](Cl)c1nc2cc(I)ccc2n1[C@H]1CN(Cc2ccccc2)C[C@@H]1C 389783410 JRCLMNMSHLPGRZ-AVYPCKFXSA-N 479.793 5.634 50 10 JKGE COCc1cc(Br)c([C@@H](Br)c2ccccc2Br)s1 688082926 GBUIFHTVRCCSQM-LBPRGKRZSA-N 455.009 5.904 50 10 JKGE CC[C@@H](C)c1ccc([C@@H](Br)c2scc(Br)c2Br)cc1 705445639 ADGMTXGXUYBSFE-NOZJJQNGSA-N 467.064 7.271 50 10 JKGE Clc1cc(Br)c(OCc2cccc(Cl)c2Cl)c(CBr)c1 708110522 CXAUWLMWZBIYRS-UHFFFAOYSA-N 459.392 6.883 50 10 JKGE Fc1ccc(F)c([C@@H](Br)c2cc(Br)c(Br)s2)c1F 716406594 NNIHZGONNXHZSX-VIFPVBQESA-N 464.926 6.175 50 10 JKGE Cc1cc(/C=C(\C#N)C(=O)N(C)C)c(C)n1-c1ccc(OCc2ccc(Br)cc2)cc1 1083944742 OURXWCFFQVUQCK-KGENOOAVSA-N 478.390 5.431 50 10 JKGE Cc1nn(Cc2ccccc2Cl)c(C)c1C=NNC(=O)CSCc1ccccc1Cl 1084314161 JOUBHWSDIIIAFQ-UHFFFAOYSA-N 461.418 5.239 50 10 JKGE O=C(COc1ccc(Cl)cc1)NN=Cc1ccc(OCc2ccc(Cl)cc2Cl)cc1 1084370494 AQJKZDTUSYUFER-UHFFFAOYSA-N 463.748 5.755 50 10 JKGE O=C(CSc1nc2ccccc2s1)NN=Cc1ccc(-c2ccc(Br)cc2)o1 1084493529 OYXKAQHPUZSYRG-UHFFFAOYSA-N 472.389 5.561 50 10 JKGE COc1ccc(/C(C#N)=C/c2cccc(OC(=O)[C@@H](C)Oc3ccc(Cl)cc3Cl)c2)cc1 1615066793 PHMOVTZSAVTUBK-PUMYGXPMSA-N 468.336 6.439 50 10 JKGE Cc1c(C(=O)N2CCCCCC2)oc2c1C(=NNC(=O)c1ccc(-c3ccccc3)cc1)CCC2 1772748231 VEHFBZJYPXSRNQ-UHFFFAOYSA-N 469.585 5.742 50 10 JKGE CC(C)(C)c1ccc([C@H]2C(C#N)=C(N)Oc3c2c(C(F)(F)F)nn3-c2ccccc2Cl)cc1 1865682091 FTJLMBAJHXYLTR-SFHVURJKSA-N 472.898 6.060 50 10 JKGE COc1ccc(-c2nn(Cc3cccc(F)c3)c3c2[C@H](c2ccc(N(C)C)cc2)C(C#N)=C(N)O3)cc1 1865683320 ISWFSVJGQJOCAH-RUZDIDTESA-N 495.558 5.030 50 10 JKGE Cc1ccc(O)c([C@@H]2C(C#N)=C(N)Oc3c2c(-c2ccccc2)nn3-c2ccc(Cl)cc2)c1 1865687362 PPCHYVBIFVIXSY-JOCHJYFZSA-N 454.917 5.425 50 10 JKGE C=CCOc1ccccc1[C@@H]1C(C#N)=C(N)Oc2c1c(C(F)(F)F)nn2-c1ccccc1Cl 1865690874 DEXZEPMDYRVTMO-GOSISDBHSA-N 472.854 5.327 50 10 JKGE Cc1ccc(COc2ccc([C@@H]3C(C#N)=C(N)Oc4c3c(C)nn4Cc3ccccc3Cl)cc2)cc1 1865692113 AUFQUMIYEKVYPX-HHHXNRCGSA-N 496.998 5.999 50 10 JKGE CCCn1nc(-c2ccccc2)c2c1OC(N)=C(C#N)[C@@H]2c1ccc(OCc2ccc(C)cc2)cc1 1865694215 VWXLEIBUXNNYIU-SANMLTNESA-N 476.580 6.066 50 10 JKGE CCCOc1cccc([C@H]2C(C#N)=C(N)Oc3c2c(-c2ccc(OC)cc2)nn3CC(C)C)c1 1865694281 SFJICAVODGJBGE-QHCPKHFHSA-N 458.562 5.222 50 10 JKGE CCCOc1c(OC)cccc1[C@H]1C(C#N)=C(N)Oc2c1c(CCC)nn2Cc1ccc(C)cc1 1865694401 XRKJBXQCKIPPRO-DEOSSOPVSA-N 472.589 5.208 50 10 JKGE CCc1nn(-c2cccc3ccccc23)c2c1[C@H](c1ccc(N(CC)CC)cc1)C(C#N)=C(N)O2 1865701136 MRASODBQQQQBQW-AREMUKBSSA-N 463.585 5.652 50 10 JKGE CCc1nn(-c2ccccn2)c2c1[C@@H](c1c(OCc3ccccc3)ccc3ccccc13)C(C#N)=C(N)O2 1865704468 WMMFXPMLNBVFHI-MUUNZHRXSA-N 499.574 5.780 50 10 JKGE CCc1ccc([C@H]2C(C#N)=C(N)Oc3c2c(C(F)(F)F)nn3-c2ccc(Cl)c(Cl)c2)cc1 1865709534 XPAGQJNBLSOANF-KRWDZBQOSA-N 479.289 5.978 50 10 JKGE COc1ccc(-c2nn(-c3ccc(C)cc3)c3c2[C@@H](c2cccc(F)c2)C(C#N)=C(N)O3)cc1 1865710997 NHWGNTFYYVKOEJ-QHCPKHFHSA-N 452.489 5.214 50 10 JKGE CCCc1nn(Cc2ccc(F)cc2)c2c1[C@H](c1cccc(OCc3ccccc3)c1)C(C#N)=C(N)O2 1865712254 UBYXLEUTSOQBEU-HHHXNRCGSA-N 494.570 5.820 50 10 JKGE Cc1nc(-c2ccc(Cl)cc2)ccc1C(=O)NNC(=O)[C@@H](Cc1ccccc1)c1ccccc1 1865755863 URCPTYPYUPOWOT-VWLOTQADSA-N 469.972 5.498 50 10 JKGE CSCC[C@H](NC(=O)[C@@H](c1ccc(Cl)cc1)C1CC1)C(=O)Nc1ccc(SC#N)cc1 1866999461 GHUWXSREVFSYFL-LEWJYISDSA-N 474.051 5.283 50 10 JKGE CCc1nc(Nc2ccc(SC#N)cc2)cc(N2CCc3cc(C)ccc3[C@H]2CC(C)C)n1 1868277719 FZRVMUZWSDXLBG-XMMPIXPASA-N 457.647 6.814 50 10 JKGE N#C/C(=C(/O)c1ccc2c(c1)C(=O)N(C1CCCCC1)C2=O)c1nc(-c2ccc(F)c(F)c2)cs1 1872751870 XQYYSQBCJLOLIB-NMWGTECJSA-N 491.519 5.967 50 10 JKGE COc1cccc(/C=C(\C#N)c2nc(-c3ccc(C)cc3C)cs2)c1OCc1cccc(C)c1 1872790587 SANGLXDZCWHTJW-BUVRLJJBSA-N 466.606 7.387 50 10 JKGE COc1cc(/C=C(\C#N)c2nc(-c3cc(C)ccc3C)cs2)ccc1OCCN1CCOCC1 1872791171 ZUGDOPPLTRUFTB-PXLXIMEGSA-N 475.614 5.211 50 10 JKGE CCCCOc1ccc(/C=C(\C#N)c2nc(-c3cc(C(C)(C)C)ccc3C)cs2)cc1OCC 1872794115 KZFVSGWPAMCKHH-PXLXIMEGSA-N 474.670 8.058 50 10 JKGE CCCOc1ccc(-c2csc(/C(C#N)=C(\O)[C@@H](C)Oc3ccc(Cl)cc3)n2)cc1OCCC 1872818109 NILVHLHJPXXVKU-PVCXERSVSA-N 499.032 7.301 50 10 JKGE CC(C)(C)N1C(=O)c2ccc(/C(O)=C(\C#N)c3nc(-c4ccc(F)cc4F)cs3)cc2C1=O 1872818287 VVJRMCYKDQBFBW-JZJYNLBNSA-N 465.481 5.433 50 10 JKGE Cc1cc(S(=O)(=O)N(Cc2ccccc2)C2(CBr)CCC2)sc1Br 1915750171 FGKUJBONJWAGHE-UHFFFAOYSA-N 493.286 5.328 50 10 JKGE Cc1c(Br)sc([C@H](Cl)c2cc(Cl)cc(F)c2F)c1Br 1922882418 LYOVNHZZPMHTSE-SECBINFHSA-N 450.957 6.841 50 10 JKGE Cc1c(Br)sc([C@H](Br)c2coc(Br)c2)c1Br 1922895576 XDWZAOJZNVXXII-MRVPVSSYSA-N 493.840 6.421 50 10 JKGE Clc1csc([C@@H](Br)c2sc(Br)cc2Br)c1Cl 1922907409 UCOZBHQASMQOIJ-LURJTMIESA-N 485.875 7.126 50 10 JKGE Cc1c(Br)sc([C@@H](Br)Cc2ccccc2F)c1Br 1922945710 JKPZJCGCIRSAIU-VIFPVBQESA-N 457.000 6.399 50 10 JKGE Clc1c(Br)sc(Br)c1[C@@H](Cl)c1ccc2ccccc2c1 1923065310 AWEJUQWNQQYOMV-LBPRGKRZSA-N 451.010 7.408 50 10 JKGE C[C@@H]1CC([C@@H](Cl)c2c(Br)sc(Br)c2Br)C[C@@H](C)O1 1924612695 CPNRYUJMKSTNTG-OXOINMOOSA-N 481.475 6.519 50 10 JKGE C[C@@H]1C[C@@H]1[C@@H]1C[C@H]1[C@@H](Cl)c1c(Br)sc(Br)c1Br 1924613603 SDSNJQDPVBPIOZ-NCDMCVCMSA-N 463.460 6.608 50 10 JKGE Cc1cocc1[C@@H](Br)c1c(Br)sc(Br)c1Br 1924613781 UHOZUFZCDNPWOZ-SSDOTTSWSA-N 493.840 6.421 50 10 JKGE CCCc1ccc([C@@H](Br)c2cc(Br)c(Br)s2)s1 1940269042 NSLXXBYIHRAJEQ-LLVKDONJSA-N 459.066 6.771 50 10 JKGE N[C@H](c1c(Br)c(Br)cc(Br)c1Br)[C@@H]1C[C@H]1Cl 1995046711 IGARJQMDOIHGHY-NDOLSLFOSA-N 497.250 5.364 50 10 JKGE Cc1cc(C)c([C@H](Br)c2sncc2Br)c(C)c1Br 2028524159 JSQNWVKWJRAPTC-LBPRGKRZSA-N 454.025 6.078 50 10 JKGE Fc1cccc(C[C@H](Br)c2csc(Br)c2Br)c1F 2032953054 BPTGFJWRNOILDJ-QMMMGPOBSA-N 460.963 6.230 50 10 JKGE COc1sc([C@@H](Br)c2cc(Br)ccc2C)cc1Br 2034630850 ZFFJQBCWEXUSGU-LBPRGKRZSA-N 455.009 6.074 50 10 JKGE CC[C@H]1CN(CC(CC)(CC)CBr)[C@H](CC)CN1C(=O)OCc1ccccc1 2044626845 LXYWLSYPCQYYNE-RTWAWAEBSA-N 453.465 5.699 50 10 JKGE Fc1ccc(F)c([C@@H](Cl)c2c(Br)sc(Br)c2Br)c1 2083094794 HIKLFEGUAOAFNV-SECBINFHSA-N 481.381 6.642 50 10 JKGE CC1(C)CCC[C@@]1(CBr)NC(=O)c1csc(Br)c1Br 2094151142 LAPLUZQXQKAMGP-ZDUSSCGKSA-N 474.056 5.347 50 10 JKGE Cc1csc(CN(C)c2cc(Br)ccc2CBr)c1Br 2100798756 KAZASXTYXPLFNL-UHFFFAOYSA-N 468.052 6.113 50 10 JKGE Cc1sc(Br)c([C@H](Br)[C@H](C)c2ccncc2Br)c1C 2100998789 IEFGXMYHFHBZFE-AMIZOPFISA-N 468.052 6.525 50 10 JKGE Cc1cc([C@H](Br)c2cc3c(cc2Br)OCC3)c(Br)s1 2101001675 TWWPVZJDTNHKRI-CYBMUJFWSA-N 467.020 6.001 50 10 JKGE CCc1nc([C@H](Br)c2ccc(F)c(Br)c2F)c(Br)s1 2113185114 MRPQHQZZZPYDLA-MRVPVSSYSA-N 475.978 5.993 50 10 JKGE Fc1ccc(Br)c(CC[C@H](Br)c2cccc(Br)c2)c1 2113488503 DVHMXZAEONCEMZ-AWEZNQCLSA-N 450.971 6.420 50 10 JKGE Cc1cc(Br)c(C)c([C@H](Br)[C@H]2CCO[C@H](C)C2)c1Br 2136379658 MTTLFNBAOPDXBK-BPYAMOTFSA-N 455.028 6.080 50 10 JKGE Cc1c(Br)ccc([C@H](Br)[C@@]2(C)C[C@H]2C(F)(F)F)c1Br 2138874000 SAUZWMHIKZJHFR-USWWRNFRSA-N 464.945 6.545 50 10 JKGE COc1ccc([C@H](Br)c2ccc(I)c(C)c2)cc1Cl 2142140643 LPZXWTKZLJDJRF-OAHLLOKOSA-N 451.529 5.746 50 10 JKGE COc1cc(F)c(Cl)cc1[C@@H](Br)c1cc(Br)sc1Br 2142389470 UYKFUTCVBKGQIT-LLVKDONJSA-N 493.417 6.559 50 10 JKGE Cl[C@H](c1cc(Br)c2c(c1)CCO2)c1cccc(Br)c1Br 2148749874 FBUTZWZIMIHUQV-CQSZACIVSA-N 481.409 6.237 50 10 JKGE Fc1ccc(CBr)c(OCc2cccc(Br)c2Br)c1F 2148750083 KKGOKSFSMMILOB-UHFFFAOYSA-N 470.933 5.964 50 10 JKGE BrC[C@H]1CN(Cc2cccc(Br)c2Br)CCC12CCC2 2151656321 OWZKSFATVIINLW-ZDUSSCGKSA-N 466.055 5.599 50 10 JKGE BrCc1ccc(N2CCC[C@@]3(CN(Cc4ccccc4)CCO3)C2)cc1Br 2151741658 XFJHBONYRJTWSH-JOCHJYFZSA-N 494.271 5.215 50 10 JKGE ClC[C@H](Cc1ccc(Br)cc1)Cc1cc(Br)ccc1Br 2175147912 SOVPZTSGMRIOKF-GFCCVEGCSA-N 481.453 6.614 50 10 JKGE Cc1ccccc1C[C@@H](CBr)Cc1cc(Br)ccc1Br 2175148233 WIMUOSDYFIZWJH-CYBMUJFWSA-N 461.035 6.316 50 10 JKGE CC(C)(C)[C@]1(CBr)CCN(Cc2cc(Br)ccc2Br)C1 2175152168 LBFIILBTRUNCOU-INIZCTEOSA-N 468.071 5.845 50 10 JKGE Cc1cc(Br)c(C)c([C@H](Br)[C@@H]2CCCS(=O)(=O)C2)c1Br 2201063244 CLWADDQMBYAAAL-QMTHXVAHSA-N 489.067 5.089 50 10 JKGE Cc1c(Br)ccc([C@@H](Br)[C@@]2(C)CCCCC2(F)F)c1Br 2203707238 UYHWTMNKHZSANZ-ZIAGYGMSSA-N 475.009 7.172 50 10 JKGE Brc1cccc(Br)c1[C@@H](Br)c1ccc(-c2cccs2)s1 2205871583 KHXJOCHQJSYKSU-HNNXBMFYSA-N 493.083 7.486 50 10 JKGE Fc1cc([C@@H](Cl)c2ccc(Br)cc2I)c(F)c(F)c1F 2207274448 BILMJBCEZYJQDF-JTQLQIEISA-N 479.436 5.938 50 10 JKGE Cc1cc([C@H](Br)c2c(C)sc(Br)c2C)c(Br)s1 2213627565 CPVXEHAGEURYST-JTQLQIEISA-N 459.066 6.744 50 10 JKGE Cc1ccc(I)c(C(=O)N(Cc2ccccc2)[C@H](CCl)C2CC2)c1 2217401131 AVNZNQXLKIIQIN-LJQANCHMSA-N 453.751 5.259 50 10 JKGE Cc1ccc([C@H](Br)Cc2ncccc2Br)cc1I 2217858755 DFZHVFNQDLGBBY-GFCCVEGCSA-N 480.969 5.436 50 10 JKGE Brc1nscc1[C@H](Br)c1ccc2c(c1Br)CCO2 2222175475 XKIBQDQSGQSKAH-LLVKDONJSA-N 453.981 5.087 50 10 JKGE Cc1ccc([C@@H](Cl)c2cc(C3CC3)c(Br)s2)cc1I 2224630833 VBPUCRPFHDFTJY-CQSZACIVSA-N 467.597 6.629 50 10 JKGE Cc1ccc([C@H](Br)c2cc(Br)c(Br)cc2F)cc1F 2225616033 MPBHZONNGQKSTF-AWEZNQCLSA-N 454.934 6.283 50 10 JKGE Fc1ccc(Br)cc1[C@@H](Br)Cc1ccc(Br)cc1Cl 2229149592 HSPDTHOXHHYNMM-LBPRGKRZSA-N 471.389 6.683 50 10 JKGE Clc1cc(Br)ccc1C[C@H](Br)c1cc(Br)ccc1Cl 2229155185 ZFMWNLRWNFFUPI-LBPRGKRZSA-N 487.844 7.197 50 10 JKGE Fc1ccc([C@@H](Cl)c2c(Br)cc(Cl)c(Cl)c2Cl)c(Br)c1 2232509624 DGEJDQPPLAZCRG-LLVKDONJSA-N 481.801 7.639 50 10 JKGE Cc1ccc([C@H](Br)c2ccc3c(c2Br)CCO3)cc1Br 2238075328 AIVTXKVEGLZBCG-HNNXBMFYSA-N 460.991 5.939 50 10 JKGE Cc1c(Br)ccc([C@H](Cl)c2scc(Br)c2Cl)c1Br 2253599173 NLOGAKLHORGZCI-JTQLQIEISA-N 493.873 7.326 50 10 JKGE Cc1c(Br)sc([C@H](Br)c2cc(F)c(Br)cc2F)c1C 2267217145 CWCYPBAZXXJWFZ-LLVKDONJSA-N 474.990 6.652 50 10 JKGE Cc1cc(Br)c([C@@H](Br)c2cc(Br)ccc2Cl)c(C)c1F 2279146669 MMFMTPSRSFADPH-AWEZNQCLSA-N 485.416 7.105 50 10 JKGE Fc1cc(Br)ccc1CO[C@H](CI)c1cccc(Cl)c1 2281412850 ACSXQDKTRHYBOZ-OAHLLOKOSA-N 469.519 5.935 50 10 JKGE CCOCc1cc(Br)c([C@H](Cl)c2cccc(Cl)c2Br)s1 2283199623 ITAOOQNAXIKNDF-CYBMUJFWSA-N 459.030 6.791 50 10 JKGE COc1ccc([C@H](Cl)c2c(Cl)cccc2Br)c(Br)c1Cl 2283563855 UONLPSYNPPLLGR-ZDUSSCGKSA-N 459.392 6.855 50 10 JKGE COc1cc(Cl)c([C@@H](Cl)c2ccc(Cl)c(I)c2)cc1Cl 2283575685 XDKWCZUTQQXINI-AWEZNQCLSA-N 461.941 6.588 50 10 JKGE Fc1cc(Br)c(F)c(Br)c1[C@H](Br)[C@H]1CC[C@H]2C[C@H]1CO2 2288498375 GCWMXTFZRHYKNG-GLTNYXDESA-N 474.965 5.741 50 10 JKGE Cc1c(Cl)cccc1NC(=O)C(C#N)=Cc1cc(C)n(-c2sc3c(c2C#N)CCCC3)c1C 2294172072 ZYQUOACVAUHFBY-UHFFFAOYSA-N 475.017 6.414 50 10 JKGE COC(=O)c1c(NC(=O)C(C#N)=Cc2ccc(-c3cccc(Cl)c3Cl)o2)sc(C)c1C 2296833230 ODXYJZPHNAQDDE-UHFFFAOYSA-N 475.353 6.264 50 10 JKGE ClCc1sc(Oc2cc(Br)cc(I)c2)nc1Cl 2301070616 FAGQQOBETZTYRW-UHFFFAOYSA-N 464.937 5.695 50 10 JKGE CC(C)C(CBr)(CBr)Cc1ccc(Cl)cc1I 2302317265 FRUBQGIMHGBFLT-UHFFFAOYSA-N 494.436 5.919 50 10 JKGE Cc1cccc(COc2ccc(Br)cc2C=C(C#N)C(=O)Nc2ccc(F)cc2)c1 2313630399 KORFHRLAUBTQAL-UHFFFAOYSA-N 465.322 6.021 50 10 JKGE COc1cccc(C=C(C#N)C(=O)Nc2cc([N+](=O)[O-])ccc2Cl)c1OCc1ccccc1 2313670791 WVLZCHVNLKFKDT-UHFFFAOYSA-N 463.877 5.381 50 10 JKGE CCOc1cc(C=C(C#N)C(=O)Nc2ccc(C)c(C)c2)ccc1OCc1ccc(Cl)c(Cl)c1 2313730449 UJUFALJATCPUNI-UHFFFAOYSA-N 495.406 7.134 50 10 JKGE Cn1c(C(C#N)=Cc2c(Oc3ccc(C(C)(C)C)cc3)nc3ccccn3c2=O)nc2ccccc21 2314437000 YHUBKVZFWGCOFX-UHFFFAOYSA-N 475.552 5.735 50 10 JKGE Cc1ccc(N2C(=O)[C@H](Cc3ccccc3Cl)SC2=C(C#N)C(=O)Nc2ccccc2)cc1C 2314591756 DCTPUTGVHOJDJS-DEOSSOPVSA-N 488.012 6.022 50 10 JKGE CCc1ccc(N2C(=O)[C@@H](Cc3ccc(F)cc3)SC2=C(C#N)C(=O)Nc2ccccc2)cc1 2314592860 CVYJQAZJJHQZOG-XMMPIXPASA-N 471.557 5.453 50 10 JKGE C=CCOc1cccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)C=Cc4ccc(Cl)cc4)ccc32)c1 2314634789 LLPFFYIOKUWFDW-HHHXNRCGSA-N 484.939 5.742 50 10 JKGE Fc1c(Br)cc(Cl)c([C@H](Br)[C@@H]2CC[C@@H](F)C2)c1Br 2315439292 CLJXHDRQUJWUQC-OXOINMOOSA-N 467.373 6.578 50 10 JKGE Cn1cnc(Br)c1[C@H](Br)Cc1ccc(Br)cc1Cl 2315586590 HELXWGORINYDQI-SECBINFHSA-N 457.391 5.277 50 10 JKGE CCCOc1ccc(C=NNC(=O)c2ccc(-c3ccc(Cl)c(Cl)c3)nc2C)cc1OCC 2321250750 PREMCRRAOBTQEI-UHFFFAOYSA-N 486.399 6.315 50 10 JKGE N#CC(=CNc1ccccc1Sc1ccccc1)C(=O)N1CCC(Cc2ccccc2)CC1 2324765207 HDQLHMQMDKVJNZ-UHFFFAOYSA-N 453.611 6.138 50 10 JKGE N#CC(=CN(Cc1ccccc1)c1ccccc1)C(=O)Nc1ccc(Cl)c(C(F)(F)F)c1 2325384777 KSJTZGDIMUSRFJ-UHFFFAOYSA-N 455.867 6.412 50 10 JKGE CCOc1ccc(C=CC(O)=C(C#N)c2nc(-c3ccc(Cl)cc3Cl)cs2)cc1OC 2331251340 RKBYFEHJNVUNIR-UHFFFAOYSA-N 473.381 7.030 50 10 JKGE CCc1cccc(C)c1N1C[C@H](C(O)=C(C#N)c2nc(-c3ccccc3OC)cs2)CC1=O 2331281941 LDWOAGJECZYHJG-GOSISDBHSA-N 459.571 5.535 50 10 JKGE COC(=O)c1ccccc1N1C[C@@H](C(O)=C(C#N)c2nc(-c3c(C)cc(C)cc3C)cs2)CC1=O 2331394060 YJCSMCOEZZZUER-SFHVURJKSA-N 487.581 5.368 50 10 JKGE COc1c(Cl)cc(-c2csc(C(C#N)=C(O)CCCOc3ccccc3C)n2)cc1Cl 2331397658 UKSAVBPESBCTHV-UHFFFAOYSA-N 475.397 7.086 50 10 JKGE COc1c(C)cc(C)cc1-c1csc(C(C#N)=Cc2ccc(OC(=O)c3ccccc3)cc2)n1 2331470037 ZZXXJJNTXJIIOS-UHFFFAOYSA-N 466.562 6.719 50 10 JKGE Fc1cc(Br)c(Br)cc1[C@@H](Br)[C@H]1[C@@H]2[C@H]1CCC2(F)F 2333604887 SDANYNMSGLCOFI-DFVGHXMLSA-N 462.929 6.078 50 10 JKGE FC[C@@]12CC[C@@]([C@H](Br)c3cc(Br)ccc3OCc3ccccc3)(CO1)C2 2336045686 YLGVHYJQZQRANX-HKBOAZHASA-N 484.203 6.373 50 10 JKGE CC1(C)C[C@@H]([C@H](Br)c2ccc(OCc3ccccc3)cc2Br)C(C)(C)O1 2336053463 JSVDLKRESKPWQL-AZUAARDMSA-N 482.256 7.058 50 10 JKGE COc1cc(Br)c([C@@H](Br)c2cnsc2Br)cc1OC 2337334277 KZZLKOBQJFIOJU-LLVKDONJSA-N 471.996 5.170 50 10 JKGE Cc1cc(Br)c(F)c(Br)c1[C@@H](Br)[C@H]1CC2(CC2)CO1 2339655005 WREFFEIGNPEDPJ-KOLCDFICSA-N 456.975 5.664 50 10 JKGE FC(F)(F)[C@H]1[C@@H](Br)CCCN1Cc1c(Br)cccc1Br 2370291562 IXEABCBZQAYDJD-NWDGAFQWSA-N 479.960 5.502 50 10 JKGE ClC[C@@H]1CN(Cc2ccc(I)c(Br)c2)CCC12CCC2 2377328666 FGKPLSNEHVHBRZ-CYBMUJFWSA-N 468.604 5.285 50 10 JKGE COc1cc(Br)c(OC[C@@](C)(CBr)C(C)(C)C)cc1Br 2380188927 AUHUQNJVFMHDAQ-OAHLLOKOSA-N 473.043 6.046 50 10 JKGE FC(F)(F)CC1CCC([C@H](Cl)c2cc(Br)c(Br)s2)CC1 2381979734 LGOXHIXMYCVNTP-AYVLWNQUSA-N 454.577 7.312 50 10 JKGE CC(C)C[C@H](CBr)CN1CC[C@H](C(F)(F)F)[C@H](CNC(=O)OC(C)(C)C)C1 2382183693 BPSMEKWFLSITBZ-OAGGEKHMSA-N 459.391 5.069 50 10 JKGE N#C/C(=C/c1cn(Cc2ccc(Cl)cc2Cl)c2ccccc12)C(=O)NC1CCCCC1 6475187 NSURFDIEUGYEEX-PDGQHHTCSA-N 452.385 6.352 50 10 JKGE CCCCCCOc1ccc(Br)cc1C(=O)NNC(=O)COc1ccccc1C(C)C 14648235 FBKDNDBRVMJDMN-UHFFFAOYSA-N 491.426 5.372 50 10 JKGE N#C/C(=C/c1cccc(OC(=O)COc2ccc(Cl)cc2Cl)c1)c1ccc(Cl)cc1 31903026 MDZTXCJYILYABT-YVLHZVERSA-N 458.728 6.695 50 10 JKGE Cc1c(C)c(C)c(CSc2nnc(/C(C#N)=C\c3c(Cl)cccc3Cl)n2C)c(C)c1C 33381465 SQGYARIZCMKPBD-ZDLGFXPLSA-N 471.457 7.020 50 10 JKGE COc1ccc2cc(/C=C(/C#N)c3nc(-c4ccc(-c5ccccc5)cc4)cs3)c(Cl)nc2c1 33391290 ZSSNPRGMEKYRKS-UCQKPKSFSA-N 479.992 7.751 50 10 JKGE CCc1ccc(Oc2nc3c(C)cccn3c(=O)c2/C=C(/C#N)C(=O)Nc2ccc(C)cc2)cc1 33904292 OBJRANUOPMEJAV-PGMHBOJBSA-N 464.525 5.212 50 10 JKGE C/C(=N/NC(=O)COc1ccc(Br)cc1Br)c1ccc2ccccc2c1 34954090 VATUGNIFMHRAJK-QRVIBDJDSA-N 476.168 5.284 50 10 JKGE CCOC(=O)/C(C#N)=C\c1cn(-c2ccccc2)nc1-c1cccc(OCc2ccccc2F)c1 35446204 HYMCTITWIYBSNW-JCMHNJIXSA-N 467.500 5.727 50 10 JKGE CCCOc1ccc(-c2nn(-c3ccccc3)cc2/C=C(/C#N)c2nc3ccccc3s2)cc1Cl 35447380 MBCQASXLGVAFPL-HKWRFOASSA-N 497.023 7.655 50 10 JKGE Cc1cc(C)cc(OCC(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@H]3c2ccccc2Cl)c1 38651064 COELLXGRSBVSFU-VWLOTQADSA-N 460.917 5.159 50 10 JKGE CCCOc1cccc(C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@@H]3c2cccc(OCC)c2)c1 38684949 VDGASEKXJLZCQV-AREMUKBSSA-N 470.525 5.311 50 10 JKGE CCCCOc1cccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4ccc(OC(C)C)cc4)ccc32)c1 38685161 WTYZLFIFLSTSAM-NDEPHWFRSA-N 498.579 6.090 50 10 JKGE Cc1ccc2c(C)c(C(=O)Oc3ccc4c(c3)OC(N)=C(C#N)[C@H]4c3ccccc3F)oc2c1C 38687998 YTKHHNAHENMZQX-DEOSSOPVSA-N 468.484 5.935 50 10 JKGE CCc1ccc(NC(=O)c2oc3c(c2C)/C(=N/NC(=O)c2ccccc2Br)CCC3)cc1 40812855 ZNHUVXPFAPYMKX-VFCFBJKWSA-N 494.389 5.636 50 10 JKGE CCc1ccc(OC(=O)c2oc3c(c2C)/C(=N/NC(=O)c2cccc(Cl)c2)CCC3)cc1 40813387 XBJYCRUHMYHAAO-NHFJDJAPSA-N 450.922 5.493 50 10 JKGE Cc1ccc(NC(=O)c2oc3c(c2C)/C(=N/NC(=O)c2ccc(Cl)c([N+](=O)[O-])c2)CCC3)cc1C 40813434 KCXWMVMPCYPYKG-TURZUDJPSA-N 494.935 5.489 50 10 JKGE CCN(C(=O)c1oc2c(c1C)/C(=N/NC(=O)c1ccc3ccccc3n1)CCC2)c1ccccc1 40825912 GLXDWPYCBMGYCW-JBASAIQMSA-N 466.541 5.273 50 10 JKGE Cc1ccc(SCC(=O)N/N=C/c2cc(Br)ccc2OCc2ccccc2)cc1 40961852 WHUUSCZAHNNDFG-AFUMVMLFSA-N 469.404 5.579 50 10 JKGE COc1cc(/C=N\NC(=O)CC[C@H](O)c2ccccc2)cc(Cl)c1OCc1cccc(F)c1 58889841 MDGWMHBASICRNG-WHXCVRPHSA-N 470.928 5.031 50 10 JKGE CCCCCCCCCCCCCCCCCCOC(=O)N[C@@H]1CS(=O)(=O)C[C@@H]1Cl 59568230 LUNKVNFGCDYLKV-FCHUYYIVSA-N 466.128 6.379 50 10 JKGE C/C(=N\NC(=O)CCC(=O)Nc1ccc(Cl)cc1Cl)C(c1ccccc1)c1ccccc1 66202579 WEUWNYVHFPDVOJ-STBIYBPSSA-N 468.384 6.036 50 10 JKGE COC(=O)c1cc(C(C)C)sc1NC(=O)/C(C#N)=C\c1ccc(OCCC(C)C)c(OC)c1 96438536 KIWRDSSQWPIGFX-WQRHYEAKSA-N 470.591 5.637 50 10 JKGE N#C/C(=C\Nc1cccc(Cl)c1Cl)c1nc(-c2cccc(Br)c2)cs1 100404445 ZTELQGWSOGFNFC-FMIVXFBMSA-N 451.176 6.856 50 10 JKGE CCCCCN1C(=O)C(C#N)=C(C)/C(=C\c2cn(-c3ccccc3)nc2-c2ccc(C)cc2)C1=O 101333243 PWJDJXPWNKZODK-KOEQRZSOSA-N 464.569 5.630 50 10 JKGE CC1=C(/C=C\C(C)=C/C[P+](c2ccccc2)(c2ccccc2)c2ccccc2)C(C)(C)CCC1 111483545 UJUZVVSRNMBGRO-ZKFBNLMCSA-N 465.641 8.010 50 10 JKGE Fc1ccc([C@H](Br)c2cccc(I)c2)cc1Br 123781339 BOZSWZWIEXURGF-CYBMUJFWSA-N 469.917 5.677 50 10 JKGE Cc1cc(F)ccc1CC(CBr)(CBr)c1ccccc1Br 128735732 UAAAUANTKCTOAB-UHFFFAOYSA-N 479.025 6.167 50 10 JKGE COc1ccc([C@@H](C)NC(=O)/C(C#N)=C\Nc2ccc(Cl)c(C(F)(F)F)c2)cc1OC 217172054 IXYODTNIRDNGGO-POKNLVKOSA-N 453.848 5.073 50 10 JKGE COc1ccc([C@H](Br)c2ccc(I)c(Cl)c2)cc1F 232343577 HYTXXFAFUDQYMA-CQSZACIVSA-N 455.492 5.577 50 10 JKGE BrCc1cc(Br)ccc1Oc1cccc(I)c1 232479373 RRKDTJJQLROYRL-UHFFFAOYSA-N 467.926 5.741 50 10 JKGE CCOc1ccc(C)cc1[C@@H](Cl)c1cc(I)ccc1Br 233777185 TWONKYJHARSQPG-INIZCTEOSA-N 465.556 6.089 50 10 JKGE COc1ccc(Cl)cc1[C@@H](Br)c1cc(Br)cc(Br)c1 234859263 DSIBBEWZCFHJCM-AWEZNQCLSA-N 469.398 6.358 50 10 JKGE COc1ccc([C@@H](Cl)c2cc(Br)sc2Br)c(Br)c1 234975763 JSYCFTCTMJIUBP-LLVKDONJSA-N 475.427 6.372 50 10 JKGE O=C(COc1ccccc1[N+](=O)[O-])NN=Cc1cc(N=Nc2cccc3ccccc23)ccc1O 254703157 OVYUOPOKPUOUQM-UHFFFAOYSA-N 469.457 5.398 50 10 JKGE Cc1nn(-c2ccc(F)cc2)c(Cl)c1C=NNC(=O)c1cc2c(C)nn(-c3ccccc3)c2s1 254842421 IMHDWLFVEZETIB-UHFFFAOYSA-N 492.967 5.446 50 10 JKGE CC(C)[Si](OC[C@@H]1OC=C[C@H](O[Si](C(C)C)(C(C)C)C(C)C)[C@@H]1O)(C(C)C)C(C)C 256012835 YDOYFAHLHUEGEN-HJOGWXRNSA-N 458.832 7.013 50 10 JKGE Brc1cccc2c([C@@H](Br)c3ccccc3OCc3ccccc3)csc12 388512312 OSIXMZRCOVUSBX-NRFANRHFSA-N 488.244 7.727 50 10 JKGE Fc1cc(Br)c([C@H](Br)c2ccc(Cl)cc2Br)c(F)c1F 398752039 XYMAOOBORNBQQB-LLVKDONJSA-N 493.342 6.767 50 10 JKGE COc1cc(C)c(Br)cc1[C@@H](Br)c1cscc1Br 404709045 LJWAWLBHLZXOBL-CYBMUJFWSA-N 455.009 6.074 50 10 JKGE Cc1cccc([C@@H](Cl)c2cc(Cl)c(Cl)c(Cl)c2Cl)c1I 404899051 ZXRMAVGINYMSOX-SNVBAGLBSA-N 480.387 7.541 50 10 JKGE CC(C)(C)OC(=O)N1CCCC[C@@H]1[C@@H]1CCC[C@]12CC[C@@](C)(CI)O2 686241391 BKAMHSGHOUQBLU-JSJNYSNDSA-N 463.400 5.319 50 10 JKGE O=C(Nc1cc(Cl)ccc1I)c1ccc(CBr)cc1 689737427 GHLFQXFKKSSERH-UHFFFAOYSA-N 450.501 5.092 50 10 JKGE Brc1cc([C@H](Br)c2ccc(OCc3ccccc3)cc2)cc2c1OCCC2 709758997 PAZYJGBCVIZMOG-JOCHJYFZSA-N 488.219 6.837 50 10 JKGE CC[C@@H](COc1c(Br)cc(Br)cc1CBr)CC(F)F 710841246 XMRWHLLHIVFICR-MRVPVSSYSA-N 464.970 6.167 50 10 JKGE Cc1ccc([C@H](Br)c2cc(Cl)ccc2Br)c(C)c1Br 719533998 FCCLOROYTPNVFM-HNNXBMFYSA-N 467.426 6.966 50 10 JKGE Cc1ccc([C@H](Br)c2ccc(F)cc2I)c(C)c1Br 719539475 UATQIURFHKQARG-HNNXBMFYSA-N 497.971 6.294 50 10 JKGE Cc1cc(F)c([C@H](Br)c2ccc(I)c(Br)c2)cc1C 721613288 KVYQMZGCZMBCAE-OAHLLOKOSA-N 497.971 6.294 50 10 JKGE N#C/C(=C/c1ccc(OCc2ccc(Cl)c(Cl)c2)cc1)C(=O)Nc1cc(Cl)ccc1Cl 1083976995 VKXGJCGVHJXUCZ-SXGWCWSVSA-N 492.189 7.425 50 10 JKGE C=CCc1cc(C=NNC(=O)CC[C@H](O)c2ccc(OCC)cc2)ccc1OCc1ccccc1C#N 1083998307 AVYDPASDUKOROT-NDEPHWFRSA-N 497.595 5.228 50 10 JKGE Cc1ccc(-c2ccccc2)n1-c1ccc(C(=O)NN=Cc2ccc(-c3ccc(C(=O)O)cc3)o2)cc1 1084575126 SSNDWDWCTYNEQS-UHFFFAOYSA-N 489.531 6.175 50 10 JKGE CCCOc1ccc(Br)cc1C=NNC(=O)CSc1nc(-c2ccccc2)cs1 1772755293 ZPUFXZQWDNXNJT-UHFFFAOYSA-N 490.448 5.604 50 10 JKGE Cc1ccc(C)c(Cn2nc(C(=O)Nc3ccc(SC#N)cc3)cc2CCc2ccccc2)c1 1862326496 GBZMPFNRONGQNM-UHFFFAOYSA-N 466.610 6.159 50 10 JKGE CCc1nn(Cc2ccc(Cl)cc2)c2c1[C@H](c1cccc(Br)c1)C(C#N)=C(N)O2 1865683791 IHMCNJUJOQOVQW-LJQANCHMSA-N 469.770 5.128 50 10 JKGE N#CC1=C(N)Oc2c(c(C(F)(F)F)nn2-c2cccc(Cl)c2)[C@H]1c1cc(Cl)ccc1O 1865688862 CUFXESKRFVGYJZ-HNNXBMFYSA-N 467.234 5.122 50 10 JKGE CCCCCOc1ccc([C@H]2C(C#N)=C(N)Oc3c2c(C)nn3-c2ccc(Cl)c(Cl)c2)cc1 1865689681 CIOJJXPBOAULGA-QHCPKHFHSA-N 483.399 6.275 50 10 JKGE CCCOc1cccc([C@H]2C(C#N)=C(N)Oc3c2c(-c2ccccc2)nn3Cc2ccccc2)c1 1865692921 GQYXZVNOCXJMER-VWLOTQADSA-N 462.553 5.605 50 10 JKGE CCc1nn(CC(C)C)c2c1[C@H](c1ccc(OCCCc3ccccc3)c(OC)c1)C(C#N)=C(N)O2 1865697364 QNVLINPCAUSMIB-AREMUKBSSA-N 486.616 5.340 50 10 JKGE Cc1ccccc1[C@@H]1C(C#N)=C(N)Oc2c1c(-c1ccccc1)nn2-c1ccc(Cl)c(Cl)c1 1865713254 VADUKEPBXOYXFS-JOCHJYFZSA-N 473.363 6.373 50 10 JKGE CC(C)[C@H](CC(=O)N[C@H](Cc1ccccc1)C(=O)Nc1ccc(SC#N)cc1)c1ccc(F)cc1 1866753483 YOQSMXWVSYFNJC-IZZNHLLZSA-N 489.616 5.895 50 10 JKGE C[C@@H]1Cc2ccccc2N(c2cc(Nc3ccc(SC#N)cc3)nc(Cc3ccccc3)n2)C1 1868207187 JANMJVOHZGPTMR-HXUWFJFHSA-N 463.610 6.714 50 10 JKGE CC(C)(C)c1nc(Nc2ccc(SC#N)cc2)cc(N2CCC[C@H]2c2nc3ccccc3s2)n1 1868342304 QXDOHLIYNQUXKU-FQEVSTJZSA-N 486.670 7.042 50 10 JKGE CCOc1ccccc1OC/C(O)=C(\C#N)c1nc(-c2ccc(-c3ccccc3)cc2)cs1 1872744132 WINOEKHJMBMJIB-GYHWCHFESA-N 454.551 6.747 50 10 JKGE COc1cccc(-c2csc(/C(C#N)=C(\O)[C@@H](CC(C)C)N3C(=O)c4ccccc4C3=O)n2)c1 1872744404 QGQWXDFBKUWMBD-LAGVDGIJSA-N 473.554 5.322 50 10 JKGE CC(C)(C)c1ccc(OCCC/C(O)=C(\C#N)c2nc(-c3ccccc3Cl)cs2)cc1 1872745836 FUYJLXIEGXWLBT-ATJXCDBQSA-N 453.007 7.413 50 10 JKGE CC[C@@H](C)N1C(=O)c2ccc(/C(O)=C(\C#N)c3nc(-c4ccc(C)cc4C)cs3)cc2C1=O 1872748997 XEUQTGQHHXEADN-DLTPIXJPSA-N 457.555 5.771 50 10 JKGE Cc1cc(C)c(C)c(-c2csc(/C(C#N)=C(\O)Cc3ccc(Br)cc3)n2)c1C 1872754433 SFYWLIVKWABNFD-VZCXRCSSSA-N 453.405 6.842 50 10 JKGE CCOc1ccc(OCC)c(-c2csc(/C(C#N)=C(\O)Cc3cc(OC)ccc3OC)n2)c1 1872755085 XXKYYUKQYRYGDU-XDOYNYLZSA-N 466.559 5.660 50 10 JKGE CCc1ccc(-c2csc(/C(C#N)=C/c3ccc(OCc4ccc(Cl)cc4Cl)cc3)n2)cc1 1872781795 RKWOPTPVMQILCL-LPYMAVHISA-N 491.443 8.322 50 10 JKGE CCCCOc1c(Br)cc(/C=C(\C#N)c2nc(-c3ccc(C)cc3)cs2)cc1OC 1872790369 DJFXZNPMRGGCOU-YBFXNURJSA-N 483.431 7.133 50 10 JKGE COc1cc(/C=C(\C#N)c2nc(-c3c(C)cc(C)cc3C)cs2)ccc1OCCc1ccccc1 1872794355 XBOUWDRSDANEHU-PCLIKHOPSA-N 480.633 7.430 50 10 JKGE O=C(N[C@@H](CCBr)COCc1ccccc1)c1scc(Br)c1Cl 1902796021 HOIMSCFIWRWPMS-LBPRGKRZSA-N 481.637 5.264 50 10 JKGE FC1(F)CC[C@@H]2[C@H]([C@H](Br)c3sc(Br)cc3Br)[C@@H]21 1906965127 MBIPAKWWAOAHBI-WYPCVCTJSA-N 450.968 6.000 50 10 JKGE C[C@@H](CCBr)N(Cc1ccccc1)Cc1cc(Cl)ccc1I 1915126738 OPHYVMHQPKMSCT-AWEZNQCLSA-N 492.626 6.120 50 10 JKGE Cc1ccc(C(=O)N(Cc2ccccc2)C2(CBr)CCC2)c(Br)c1 1915757081 TXQNMBWIRZDRRN-UHFFFAOYSA-N 451.202 5.718 50 10 JKGE CC(C)(C)O[C@H]1C[C@@H]([C@H](Br)c2sc(Br)cc2Br)C1 1922911470 CNLLNLKVUQQWDV-RNSXUZJQSA-N 461.057 6.303 50 10 JKGE Brc1cc(Br)c([C@@H](Br)[C@H]2COc3ccccc3O2)s1 1922953495 DNUTZZDEKWFBEJ-PWSUYJOCSA-N 468.992 5.549 50 10 JKGE CCCCCCC[C@@H](Br)c1c(Br)sc(Br)c1Cl 1923048744 ILZBDOKVQSLAKF-MRVPVSSYSA-N 467.492 7.723 50 10 JKGE Cc1ccc([C@@H](Br)c2cscc2OCc2ccccc2)c(C)c1Br 1950320631 IUWCKTIYYAGYDO-HXUWFJFHSA-N 466.238 7.191 50 10 JKGE Clc1cccc(Br)c1[C@H](Br)Cc1ccc(Br)cc1 2050318884 KGTVGBFNYBLBEP-GFCCVEGCSA-N 453.399 6.544 50 10 JKGE CC(=C(C#N)C#N)c1ccc(OP2(=O)C=C(c3ccccc3)OC(c3ccccc3)=C2)cc1 2059836097 IUXTVZSIXHSGSM-UHFFFAOYSA-N 450.434 7.192 50 10 JKGE Brc1cc([C@H](Br)c2scc3c2CCCC3)sc1Br 2066981118 VNIOPKFBWWHOSU-NSHDSACASA-N 471.077 6.698 50 10 JKGE Cc1c(Br)sc([C@H](Br)C2(CC3CC3)CCC2)c1Br 2069472820 PSWANZFATCFSSI-LBPRGKRZSA-N 457.069 6.988 50 10 JKGE Cn1nc([C@H](Br)c2ccc(Br)cc2Br)c(Cl)c1Cl 2083323790 YCVTXSAYIUMFTJ-MRVPVSSYSA-N 477.809 5.736 50 10 JKGE Brc1cc([C@@H](Br)[C@H]2C[C@H]3COC[C@H](C3)C2)c(Br)s1 2085748626 QCICODVLIJUDEI-NHRVJRKFSA-N 459.041 5.772 50 10 JKGE Clc1ccc(Br)cc1[C@H](Br)c1cc(C2CC2)c(Br)s1 2094672926 FIAWKWJXHVOHQS-ZDUSSCGKSA-N 485.466 7.288 50 10 JKGE Cc1ccc([C@@H](Br)c2cc(C3CC3)c(Br)s2)cc1Br 2094674541 WOUUNLFAOFKXBH-CQSZACIVSA-N 465.048 6.943 50 10 JKGE C[C@@H](c1ccncc1Br)[C@@H](Br)c1c(Cl)cccc1Br 2113162424 HZMZKXBLLRJVLZ-RMLUDKJBSA-N 468.414 6.500 50 10 JKGE O=C(c1cc(Br)sc1Br)N1CC[C@H](Br)CC12CCC2 2113571926 HIWMRENRQIEIOG-QMMMGPOBSA-N 472.040 5.195 50 10 JKGE Cc1c(Br)sc([C@@H](Br)[C@H]2CCCCC23CCC3)c1Br 2117007110 JQPGJSNPKBRMDS-PWSUYJOCSA-N 471.096 7.378 50 10 JKGE Brc1ccc(Br)c(CN2C[C@@H]3CC[C@@H](Br)C[C@H]3C2)c1 2118520464 VHLJFRZYDOTQDC-GMXVVIOVSA-N 452.028 5.207 50 10 JKGE O=S(=O)(c1cc(Cl)cc(CBr)c1F)N(Cc1ccccc1)CC1CCC1 2123271879 UTTDUOAIBSNWLU-UHFFFAOYSA-N 460.796 5.365 50 10 JKGE BrC[C@@H]1C[C@@H]2CC[C@H](C1)N2Cc1cccc(Br)c1Br 2128148957 CJAQAIBAXFNHCL-LMKPVCQUSA-N 452.028 5.350 50 10 JKGE FCCOc1ccc([C@H](Br)c2sc(Br)cc2Br)cc1 2132972794 ZNTRKPSLOKCQQO-LBPRGKRZSA-N 472.999 6.106 50 10 JKGE C[C@@H]1Cc2cc([C@H](Br)c3cccc(Br)c3)cc(Br)c2O1 2146629076 QDKNEPRKHNAFFP-RFAUZJTJSA-N 460.991 6.019 50 10 JKGE ClCc1nc2cccnc2n1-c1cc(Br)c(Br)c(Br)c1 2151781168 YZQWKJADOPEQPH-UHFFFAOYSA-N 480.385 5.447 50 10 JKGE C[C@@]12CN(Cc3ccccc3)C[C@]1(C)CN(c1c(CCl)ccc(Br)c1Cl)C2 2154374680 ZCJRKGDYJQSXBO-SZPZYZBQSA-N 468.266 6.190 50 10 JKGE C[C@H]1CCN(Cc2ccccc2)C[C@H]1n1c(CCl)nc2cc(Br)c(Cl)cc21 2159867061 WFTGJBCGLYZZQY-VBKZILBWSA-N 467.238 6.274 50 10 JKGE CC(C)(C)[C@@]1(CBr)CCN(C(=O)c2csc(Br)c2Br)C1 2160941854 JMJUYWHYWZYCRY-CQSZACIVSA-N 488.083 5.546 50 10 JKGE CCc1ncc(CC(CBr)(CBr)c2cccc(Br)c2)s1 2172941476 CTPOXCHGVMPSQB-UHFFFAOYSA-N 482.079 5.738 50 10 JKGE BrC[C@@H]1CN(Cc2ccc(Br)cc2Br)CC12CCCC2 2175220606 KQGSSEZZKKMEBT-CYBMUJFWSA-N 466.055 5.599 50 10 JKGE O=C(NCC[C@H]1CCCC[C@H]1Br)c1ccc(I)c(Cl)c1 2179638579 XQWXTIRXIUECIU-ZYHUDNBSSA-N 470.576 5.018 50 10 JKGE C[C@H](N(Cc1ccccc1)S(=O)(=O)c1cc(CBr)n(C2CC2)c1)C(C)(C)C 2179859035 XHHUTKYSPVULAL-INIZCTEOSA-N 453.446 5.343 50 10 JKGE Cc1c(Br)sc([C@@H](Br)c2ccc(C(C)(F)F)cc2)c1Br 2184812476 JAWKYCQLNRCTTA-NSHDSACASA-N 489.017 7.178 50 10 JKGE COc1cc(C)c(Br)cc1[C@H](Br)c1c(C)nn(C)c1Br 2185751998 UEDLQXKKFSBSKV-ZDUSSCGKSA-N 466.999 5.055 50 10 JKGE CN(c1c(CCl)ccc(Br)c1Cl)[C@@H]1C[C@@H]2C[C@H](OCc3ccccc3)C[C@@H]21 2190538633 ZJZMIEPQGCEDSM-CGBFIWBNSA-N 469.250 6.661 50 10 JKGE Cc1cc(Br)c(C)c([C@H](Cl)c2cc3cscc3s2)c1Br 2201071169 DSZMHFZCCZZKJO-OAHLLOKOSA-N 450.648 7.433 50 10 JKGE COc1ccc(C(C)C)cc1[C@H](Br)c1cc(Br)sc1Br 2203871726 CRSYJUFXACCTRU-AWEZNQCLSA-N 483.063 6.889 50 10 JKGE Clc1cc([C@H](Cl)c2ccc(-c3cccs3)s2)ccc1I 2205866221 OGSOUCMWOUKBQV-HNNXBMFYSA-N 451.181 7.063 50 10 JKGE FC(F)(F)[C@@H]1CC[C@H]1[C@H](Cl)c1c(Br)sc(Br)c1Br 2217669783 CVPXBAVMDRARKW-FXFZYULNSA-N 491.392 6.904 50 10 JKGE Cc1cc(C(=O)N(C)C[C@H](Br)COCc2ccccc2)cc(C)c1Br 2220195438 LHBOFCLIKRQBGL-SFHVURJKSA-N 469.217 5.118 50 10 JKGE Fc1cc(F)c([C@H](Br)c2nscc2Br)c(F)c1Br 2220510013 KEQCQFBHTSQTAH-QMMMGPOBSA-N 465.914 5.570 50 10 JKGE CCOCc1cc(Br)c([C@H](Br)c2nc(C)sc2Br)s1 2224789237 NQKNGODNRWLGDJ-SECBINFHSA-N 490.080 6.059 50 10 JKGE Cc1c(Br)csc1[C@@H](Br)c1cc(Br)c2c(c1)CCCO2 2234514554 RTPZEQAFGHLYKD-ZDUSSCGKSA-N 481.047 6.391 50 10 JKGE COc1cc(Br)c([C@H](Br)c2ccc(Br)cc2Cl)cc1C 2236011243 SFJPSCIGCPQSRW-OAHLLOKOSA-N 483.425 6.666 50 10 JKGE COc1ccc(Br)c(CBr)c1OCc1ccc(Br)cn1 2236036944 GUYQCUDAURLDHM-UHFFFAOYSA-N 465.967 5.089 50 10 JKGE Fc1cc(F)c([C@@H](Cl)c2cccc(F)c2I)c(F)c1Br 2236118114 QDNMPJGYBVMKEZ-NSHDSACASA-N 479.436 5.938 50 10 JKGE O=C(c1scc(Br)c1Cl)N(CCCBr)Cc1ccccc1 2241234801 KJSRFRNPLVOUJH-UHFFFAOYSA-N 451.611 5.591 50 10 JKGE Clc1cc([C@@H](Cl)c2scc(Br)c2Cl)c(Cl)c(Cl)c1Cl 2264607349 LLNWXNXNXQYDGP-SSDOTTSWSA-N 459.834 8.106 50 10 JKGE FC1(F)C[C@@H]([C@H](Br)c2cc(Br)ccc2Br)C12CCC2 2266147955 PVIYIFOYRJYQHA-CMPLNLGQSA-N 458.966 6.473 50 10 JKGE CCc1cc([C@@H](Br)c2cc(Br)c(F)cc2C)sc1Br 2270432651 AZMIEGZFBPHNSM-ZDUSSCGKSA-N 471.027 6.767 50 10 JKGE Fc1cc(Br)c(Br)cc1[C@H](Br)C[C@H]1CCCCC12CC2 2279687621 IIXLZOALQPARLP-ZYHUDNBSSA-N 469.030 7.147 50 10 JKGE COc1ccc([C@@H](Br)c2cccc3ccsc23)cc1I 2285000790 UZHJKOAEDHGNPT-OAHLLOKOSA-N 459.146 5.999 50 10 JKGE CC(C)Oc1ccccc1C=C(C#N)C(=O)Nc1ncc(Cc2ccc(Cl)c(Cl)c2)s1 2293038450 DEATYYNYIYBQAJ-UHFFFAOYSA-N 472.397 6.374 50 10 JKGE CN(C)c1ccc(C=C(NC(=O)c2cccc(F)c2)C(=O)NN=Cc2ccc(Cl)cc2Cl)cc1 2294217764 MCTUPOIJJLFCCJ-UHFFFAOYSA-N 499.373 5.120 50 10 JKGE Cc1cc(F)c([C@H](Br)Cc2cc(Br)cc(Br)c2)cc1C 2295274837 OOYCADTWVCXWNI-OAHLLOKOSA-N 464.998 6.646 50 10 JKGE Cc1ccc(C[C@H]2SC(=C(C#N)C(=O)NCc3ccccc3)N(c3ccccc3)C2=O)cc1C 2296507133 UWQAUBASAGTUEK-RUZDIDTESA-N 467.594 5.046 50 10 JKGE N#CC(=CNc1ccc(Cl)cc1C(F)(F)F)c1nc(-c2ccc3ccccc3c2)cs1 2296802155 KWGTYFLEKPSUEJ-UHFFFAOYSA-N 455.892 7.612 50 10 JKGE CC[C@@H]1OCC[C@H]1[C@H](Br)c1cc(Br)ccc1OCc1ccccc1 2299493056 KDOGTLCNTMCQAL-KPFFTGBYSA-N 454.202 6.279 50 10 JKGE CCCOC1([C@H](Br)c2cc(Br)ccc2OCc2ccccc2)CC1 2299502422 WTQSVVWZNZWCKK-LJQANCHMSA-N 454.202 6.423 50 10 JKGE Fc1c(Br)cc(Cl)c([C@@H](Br)c2cnsc2)c1Br 2300179006 OESAKLKDNCQJFP-QMMMGPOBSA-N 464.379 5.945 50 10 JKGE Cc1c(Br)cccc1[C@H](Cl)c1sc(Cl)cc1I 2300955904 SATDTDJKYFTQKL-NSHDSACASA-N 461.977 6.405 50 10 JKGE N#CC(=Cc1ccc(-c2ccc(Cl)cc2Cl)o1)C(=O)Nc1cccc(Cl)c1Cl 2313570616 BEYMAPJJKTUWTD-UHFFFAOYSA-N 452.124 7.106 50 10 JKGE CCOc1cc(C=C(C#N)C(=O)Nc2ccc(C)cc2C)ccc1OCc1ccc(Cl)cc1Cl 2313667769 VQMHVWOACXLGOD-UHFFFAOYSA-N 495.406 7.134 50 10 JKGE COc1cc(C=C(C#N)C(=O)Nc2cccc(C(F)(F)F)c2)ccc1OCc1ccccc1 2313730270 LJLIUVLIBNKRLM-UHFFFAOYSA-N 452.432 5.839 50 10 JKGE Cc1nn(C)c(Br)c1[C@@H](Cl)c1cc(Br)ccc1OCc1ccccc1 2314496013 XIHCJEFFGBQUDH-SFHVURJKSA-N 484.619 6.161 50 10 JKGE C[C@]12C[C@H](C1)[C@@H]([C@@H](Cl)c1c(Br)sc(Br)c1Br)CO2 2315930014 SOFJCXFPMGBWRN-DQUAYNECSA-N 479.459 6.131 50 10 JKGE CC1CCC(CI)(OCc2cccc(I)c2)CC1 2319040933 ASOJNQZNEDRGJJ-UHFFFAOYSA-N 470.132 5.192 50 10 JKGE CC(C)(C)OC(=O)N1CCC(CI)(O[C@H]2CCC3(CCCC3)C2)CC1 2320501225 BKWSMEJYRZSXHO-INIZCTEOSA-N 463.400 5.321 50 10 JKGE Cc1ccc2nc(-c3ccc(NC=C(C#N)C(=O)Nc4ccc(C(C)C)cc4)cc3)sc2c1 2324241412 ZQWZCHDCHXABJT-UHFFFAOYSA-N 452.583 6.853 50 10 JKGE C[C@H]1CC=CC[C@@]1(CBr)Cc1ccc(I)c(Br)c1 2325217288 CLWDVTQLNBRAPL-NHYWBVRUSA-N 484.013 5.964 50 10 JKGE Fc1cc([C@H](Cl)c2cc(Br)sc2Br)c(Cl)cc1Cl 2326684784 GHBZWQDECNVVPU-JTQLQIEISA-N 453.385 7.047 50 10 JKGE CC(=Cc1ccccc1)C(=O)N[C@H](Cc1ccc(F)cc1)C(=O)Nc1ccc(SC#N)cc1 2330429229 CXXBAPODHCTYOR-XMMPIXPASA-N 459.546 5.168 50 10 JKGE N#CC(=C(O)CCCCCNC(=O)c1ccccc1)c1nc(-c2cccc([N+](=O)[O-])c2)cs1 2331236602 KWZMOFNGQLAPJU-UHFFFAOYSA-N 462.531 5.501 50 10 JKGE N#CC(=C(O)CCCN1C(=O)c2ccccc2C1=O)c1nc(-c2ccc(Br)cc2)cs1 2331259726 UHRBZWUKJIUJTD-UHFFFAOYSA-N 494.370 5.442 50 10 JKGE CCc1cccc(CC)c1N1C[C@@H](C(O)=C(C#N)c2nc(-c3c[nH]c4ccccc34)cs2)CC1=O 2331346937 OSUIOYKTIPNMIV-IBGZPJMESA-N 482.609 6.262 50 10 JKGE COc1ccc(-c2csc(C(C#N)=C(O)c3cc([N+](=O)[O-])cc([N+](=O)[O-])c3C)n2)cc1Cl 2331399459 NWHUCEDXHNIYTO-UHFFFAOYSA-N 472.866 5.547 50 10 JKGE COc1cc(C=C(C#N)c2nc(-c3cccc([N+](=O)[O-])c3)cs2)ccc1OCCCc1ccccc1 2331414592 RHAURNPDTWCKOR-UHFFFAOYSA-N 497.576 6.803 50 10 JKGE CCOc1cc(C=C(C#N)c2nc(-c3ccc(CC)cc3)cs2)ccc1OCc1ccc(C)cc1 2331417717 LEWNQDJIYNTWDG-UHFFFAOYSA-N 480.633 7.723 50 10 JKGE Cc1ccccc1COc1ccc(C=C(C#N)c2nc(-c3ccc(Br)cc3)cs2)cc1 2331430356 IWLWMUGXBNFWEL-UHFFFAOYSA-N 487.422 7.524 50 10 JKGE CN(c1ccc(CBr)cc1Br)[C@H]1C[C@@H]2C[C@@H](OCc3ccccc3)C[C@H]12 2332001971 CQXXITDOJQNBMR-WEMPKCCASA-N 479.256 6.164 50 10 JKGE FC(F)(F)c1cc([C@H](Cl)c2ccc(OCc3ccccc3)cc2Br)cs1 2336052926 FIKLTWCAKJHTES-SFHVURJKSA-N 461.730 7.437 50 10 JKGE CC(C)c1ccc([C@@H](Br)c2c(Br)c(Br)nn2C)cc1 2338722178 KIYHJVYSCUIFNF-LLVKDONJSA-N 451.000 5.553 50 10 JKGE Brc1cc(OCc2ccccc2)ccc1[C@@H](Br)[C@H]1C[C@H]2CCC[C@H]1CC2 2338745181 ULVXHNIOFATUSV-DJTDUFQSSA-N 478.268 7.681 50 10 JKGE Cc1cc(F)cc(C)c1[C@H](Br)c1ccc(Cl)cc1I 2340061435 NWTAMOFLOFOTKQ-OAHLLOKOSA-N 453.520 6.185 50 10 JKGE COc1ccc([C@@H](Br)c2ccc(Cl)cc2I)cc1Cl 2340063174 HXIDNFSTNDDJTM-CQSZACIVSA-N 471.947 6.091 50 10 JKGE Cl[C@H](c1cc2c(cc1Br)OCCC2)c1sccc1I 2343588566 NGDZXFDIRJLMQY-CYBMUJFWSA-N 469.569 5.768 50 10 JKGE CC(C)(C)OC(=O)NCC[C@@H]1CCN(CCCCCCBr)[C@H](C(F)(F)F)C1 2362817448 WWCDEAITCDTMHP-CVEARBPZSA-N 459.391 5.499 50 10 JKGE Cc1cc(Br)c(F)c(Br)c1[C@H](Br)C[C@H]1CCCC1(F)F 2365187792 DPNULDQBVRBMBM-RKDXNWHRSA-N 478.972 6.921 50 10 JKGE Cc1cc(Br)c(F)c(Br)c1[C@H](Br)C1C[C@@H]2CCC[C@H]2C1 2365225108 FZVYAYHRIXOSNV-PKFCDNJMSA-N 469.030 6.921 50 10 JKGE N#C/C(=C\c1ccc(Sc2ncccn2)c([N+](=O)[O-])c1)S(=O)(=O)c1cc(Cl)ccc1Cl 2637124 TZXBLFJMGNHGST-RIYZIHGNSA-N 493.353 5.181 50 10 JKGE COc1ccc(/C=C(\C#N)S(=O)(=O)c2ccccc2)cc1CSc1nc(C)cc(C(F)F)n1 2857182 CKIONADCKCJLKC-XDHOZWIPSA-N 487.553 5.362 50 10 JKGE O=C(CCCOc1ccc(Cl)cc1Cl)N/N=C/c1ccccc1OCc1ccccc1 12577704 SVRQPTFOQGHTLW-JVWAILMASA-N 457.357 5.882 50 10 JKGE CCOC(=O)/C(C#N)=C/c1cc(Br)c(OC(=O)/C=C\c2ccccc2Cl)c(OC)c1 33280530 RGJQQXKZDIFSDN-HUURBIDYSA-N 490.737 5.200 50 10 JKGE Cc1ccc(-c2csc(/C(C#N)=C\c3cn(-c4ccccc4)nc3-c3cccc4ccccc34)n2)cc1 35519255 WSJVJZMTBXIKEG-BWAHOGKJSA-N 494.623 8.189 50 10 JKGE CCCN1C(=O)C(C#N)=C(C)/C(=C\c2ccc(OCc3ccc(Cl)cc3Cl)c(OC)c2)C1=O 38603548 NARSGWJGRUJMHG-VXLYETTFSA-N 485.367 5.583 50 10 JKGE N#CC1=C(N)Oc2cc(OC(=O)c3ccccc3Br)ccc2[C@H]1c1cccc2ccccc12 38657658 YJQHBZDOWZYBCC-RUZDIDTESA-N 497.348 6.040 50 10 JKGE N#CC1=C(N)Oc2cc(OC(=O)COc3cccc(Cl)c3)ccc2[C@H]1c1cccc2ccccc12 38657969 LYLYSTRTPOJZKY-HHHXNRCGSA-N 482.923 5.696 50 10 JKGE C=CCOc1ccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)COc4ccc(C(C)C)cc4)ccc32)cc1 38658241 PBXWAMQXPUKADP-LJAQVGFWSA-N 496.563 5.577 50 10 JKGE Cc1cc(C)c2c(C)c(C(=O)Oc3ccc4c(c3)OC(N)=C(C#N)[C@@H]4c3cccc(Cl)c3)oc2c1 38687720 ZTKHSAGWSPVWPO-RUZDIDTESA-N 484.939 6.449 50 10 JKGE CCc1ccc(Oc2nc3ccccn3c(=O)c2/C=C(\C#N)C(=O)Nc2ccc(C)c(C)c2)cc1 39992918 QCBLNCNMPZLPKF-LTGZKZEYSA-N 464.525 5.212 50 10 JKGE Cc1cc(-c2ccc(/C=C(\C#N)C(=O)Nc3ccc(Br)cc3)o2)ccc1Br 58832671 CDGBIOFLMBUXGV-RVDMUPIBSA-N 486.163 6.326 50 10 JKGE CCOc1ccc([C@@H](O)CCC(=O)N/N=C\c2ccc(OCc3ccc(F)cc3)c(OCC)c2)cc1 58893255 LRAGGMLWAOTKFX-NYFJFQCHSA-N 494.563 5.166 50 10 JKGE O=C(N/N=C/c1ccc2ccc3cccc4ccc1c2c34)c1cccc(NC(=O)c2ccc(F)cc2)c1 59261047 SONFSRXBFQLJBC-DPNNOFEESA-N 485.518 6.739 50 10 JKGE C=CCNC(=O)/C(C#N)=C1\S[C@H](Cc2ccc(C(C)C)cc2)C(=O)N1c1ccc(C)c(C)c1 101241904 GTUZDTBZCNGFOF-NLTRVXJZSA-N 459.615 5.155 50 10 JKGE COc1ccc(-c2onc3c2CCc2ccccc2-3)cc1NC(=O)c1cccc(C(Cl)Cl)c1 102965323 IIPLNHWVKQVURK-UHFFFAOYSA-N 479.363 6.844 50 10 JKGE O=C/C(=C/Nc1ccc(Br)cc1)[C@@H](Nc1ccc(Br)cc1)c1ccco1 108407659 IIYGNVYPDSEHOW-XYELWLDHSA-N 476.168 6.153 50 10 JKGE Cl[C@@H](c1csc(I)c1)c1cc(Br)c(Br)s1 128114273 JMZFDLDWZNVJMB-QMMMGPOBSA-N 498.430 6.267 50 10 JKGE COc1cc([C@H](Cl)c2cc(Br)ccc2Br)c(OC)cc1Br 134282640 ZNXPWASOMVSVBW-OAHLLOKOSA-N 499.424 6.320 50 10 JKGE Cc1ccc(S(=O)(=O)O/N=C(/c2ccc(CO[Si](C)(C)C(C)(C)C)cc2)C(F)(F)F)cc1 196181255 QGOUWLJEIYYHJB-QOMWVZHYSA-N 487.616 6.189 50 10 JKGE in-vitro COc1cc(Br)c([C@@H](Br)c2ccoc2Br)cc1OC 234923861 YUQBMWKQNDDIPT-LBPRGKRZSA-N 454.940 5.306 50 10 JKGE Fc1ccc(COc2c(Br)cc(CBr)cc2Br)c(Cl)c1 236246516 KQAFFJOPRRSDAV-UHFFFAOYSA-N 487.388 6.478 50 10 JKGE CC(=NNC(=O)c1ccc(CN2CCN(c3ccccc3)CC2)cc1)c1ccc(C(C)(C)C)cc1 254302388 IMCGNCAGNYFGCV-UHFFFAOYSA-N 468.645 5.460 50 10 JKGE CCCOc1ccc(C=NNC(=O)c2ccc([C@@H]3SCC(=O)N3Cc3ccccc3)cc2)cc1 254817196 RTEOUQDYTDLWER-MHZLTWQESA-N 473.598 5.014 50 10 JKGE C[C@H](Cl)c1nc2cc(I)ccc2n1[C@@H](C)CN(C)Cc1ccccc1 381211614 VAZRWNVDMKLTMA-GJZGRUSLSA-N 467.782 5.634 50 10 JKGE Fc1cc2c(cc1Cl)nc(CCl)n2CCCN(Cc1ccccc1)Cc1ccccc1 390645659 MGNPRPQXWJUDBR-UHFFFAOYSA-N 456.392 6.660 50 10 JKGE Brc1ccc(Br)c([C@@H](Br)c2csc3c2CCCC3)c1 399909942 FPQVGDZCPHKEIG-OAHLLOKOSA-N 465.048 6.636 50 10 JKGE COc1cc(CBr)ccc1OCc1cc(Cl)ccc1I 405308965 RZGQYLVSYAWTFJ-UHFFFAOYSA-N 467.528 5.427 50 10 JKGE CC(C)(C)OC(=O)NCCN1CCOCC[C@H]1c1cccc(CCO[Si](C)(C)C(C)(C)C)c1 616598039 MHXMJBCZLUNZLL-QHCPKHFHSA-N 478.750 5.539 50 10 JKGE CN(C(=O)OC(C)(C)C)c1cccc([C@H]2CCCCCN2CCO[Si](C)(C)C(C)(C)C)c1 616605591 NNDJTVVSXBYROL-HSZRJFAPSA-N 462.751 6.997 50 10 JKGE CC(C)(C)OC(=O)N1CCc2ccccc2[C@@H]1c1ccccc1CCO[Si](C)(C)C(C)(C)C 616676654 ONQPCWIGTPSIEQ-RUZDIDTESA-N 467.726 7.134 50 10 JKGE C[C@@H]([C@H]1CCN(Cc2ccccc2)C1)n1c(CCl)nc2ccc(F)c(Br)c21 689795364 SFAIBJAJUOYEGL-HOCLYGCPSA-N 450.783 5.760 50 10 JKGE C[C@]1(Cn2c(CCl)nc3ccc(F)c(Br)c32)CCN(Cc2ccccc2)C1 689795366 SFVDRPLUKGOXBZ-NRFANRHFSA-N 450.783 5.589 50 10 JKGE C[C@H]1CCCN(Cc2cc(Cl)ccc2I)[C@@H]1CCBr 697260781 ZWKMQANAXLNUFZ-XHDPSFHLSA-N 456.593 5.330 50 10 JKGE N#Cc1cc(Br)ccc1COc1cc(Br)ccc1CBr 700989977 GCSSDZNOUIORBP-UHFFFAOYSA-N 459.963 5.557 50 10 JKGE COc1nscc1CC(CBr)(CBr)c1ccc(Br)cc1 711604471 SVBYBGLEXQBCNF-UHFFFAOYSA-N 484.051 5.185 50 10 JKGE Cc1ccc(-n2c(C)cc(C=NNC(=O)C(=O)Nc3ccc(Cl)c(Cl)c3)c2C)c(C)c1 725432069 HORNJLKVICEMHQ-UHFFFAOYSA-N 457.361 5.107 50 10 JKGE O=C(NN=Cc1ccc(OCc2cccc3ccccc23)cc1)c1ccc(Br)cc1 1081098250 JLGNLVKUMXHDFK-UHFFFAOYSA-N 459.343 5.945 50 10 JKGE O=C(Cc1cccc2ccccc12)NN=C1C(=O)N(Cc2cccc3ccccc23)c2ccccc21 1083924587 AGRQOMFLYLRCHN-UHFFFAOYSA-N 469.544 5.603 50 10 JKGE N#C/C(=C/c1ccc(OC(=O)c2ccc(Cl)cc2Cl)cc1)C(=O)NCc1ccccc1 1083952374 XULRHEGVCWHQQG-PDGQHHTCSA-N 451.309 5.436 50 10 JKGE COc1cc(/C=C(/C#N)C(=O)Nc2cc([N+](=O)[O-])ccc2Cl)ccc1OC(=O)c1ccc(C)cc1 1084069265 WKLIAPWXWKGLFS-WQRHYEAKSA-N 491.887 5.330 50 10 JKGE Cc1ccc(C)c(NC(=O)C(=O)NN=Cc2cc(C)n(-c3ccc(Cl)c(Cl)c3)c2C)c1 1084177993 VTRKGXGRHGTKJT-UHFFFAOYSA-N 457.361 5.107 50 10 JKGE COc1cc(/C=C(\C#N)C(=O)Nc2ccc(Cl)cc2)ccc1OCc1ccc(Cl)c(Cl)c1 1084510209 ZEWMIMYTJZIQOR-LICLKQGHSA-N 487.770 6.780 50 10 JKGE O=C1[C@@H](C[C@]2(F)C(Cl)=CC(c3ccccc3)=C[C@H]2Cl)CCN1[C@@H]1CCc2c[nH]nc2C1 1772508755 HVRBUPWVJYOLQC-FIBQRRHKSA-N 460.380 5.041 50 10 JKGE Cc1c(C(=O)Nc2ccc(Cl)cc2Cl)oc2c1C(=NNC(=O)c1ccccn1)CCC2 1772747583 QVUBLZMIEUPKOI-UHFFFAOYSA-N 457.317 5.013 50 10 JKGE Cc1cccnc1NC(=O)c1oc2c(c1C)C(=NNC(=O)C(c1ccccc1)c1ccccc1)CCC2 1772749053 PNXKOBKVWFHOKL-UHFFFAOYSA-N 492.579 5.532 50 10 JKGE COc1ccc(-c2nn(-c3cccc(Cl)c3)c3c2[C@H](c2ccccc2)C(C#N)=C(N)O3)cc1 1865680308 GUHOYHJQQAAWPC-JOCHJYFZSA-N 454.917 5.419 50 10 JKGE COc1cc([C@H]2C(C#N)=C(N)Oc3c2c(C)nn3-c2cccc(Cl)c2)ccc1OCc1ccccc1 1865687463 RQKMAYHQHLFSBS-SANMLTNESA-N 498.970 5.640 50 10 JKGE CCCc1nn(-c2ccccc2)c2c1[C@@H](c1ccc(OCc3ccccc3)cc1)C(C#N)=C(N)O2 1865690117 IZZPWXAVFNXKNZ-SANMLTNESA-N 462.553 5.622 50 10 JKGE CCCOc1ccc([C@@H]2C(C#N)=C(N)Oc3c2c(CCC)nn3-c2ccc(Br)cc2)cc1 1865694722 ZXMRUPBCFWTJEO-JOCHJYFZSA-N 493.405 5.594 50 10 JKGE N#CC1=C(N)Oc2c(c(C(F)(F)F)nn2-c2cccc3ccccc23)[C@@H]1c1cccc([N+](=O)[O-])c1 1865706345 UIHVSHNAVUXKCO-LJQANCHMSA-N 477.402 5.171 50 10 JKGE CCOc1cc(/C=C(\C#N)c2ccc(Cl)cc2F)ccc1OCc1ccc(Cl)cc1Cl 1872729444 KINSITVZGLZTJB-RQZCQDPDSA-N 476.762 7.828 50 10 JKGE CCCCCCCOc1ccc(-c2csc(/C(C#N)=C/c3ccc4c(c3)OCCO4)n2)cc1 1872791703 QXTRZIIAGMEEGL-CJLVFECKSA-N 460.599 6.995 50 10 JKGE COc1cc(C)c(-c2csc(/C(C#N)=C/c3cccc(Br)c3)n2)cc1C(C)C 1872793405 YGHWYGZMAAPDMV-RQZCQDPDSA-N 453.405 7.077 50 10 JKGE CCCOc1ccc(-c2csc(/C(C#N)=C(\O)Cc3ccc(F)c(C)c3)n2)cc1OCCC 1872818238 SXWSILVCTYUHLS-ATJXCDBQSA-N 466.578 6.871 50 10 JKGE CCOc1ccc(CC/C(O)=C(\C#N)c2nc(-c3cc(C)ccc3OC)cs2)cc1OC 1873920298 CFIVOWQSASATSA-VZCXRCSSSA-N 450.560 5.960 50 10 JKGE C[C@H]1C[C@@H]1[C@@H](Br)c1c(Br)sc(Br)c1Br 1897840003 DYYHSGDMMNENJJ-RVJQKOHUSA-N 467.846 6.128 50 10 JKGE Clc1sc([C@H](Br)c2cc(Br)sn2)cc1Br 1909862711 DIZQBVSACUHIKN-SSDOTTSWSA-N 452.418 5.867 50 10 JKGE C[C@@H](Cl)c1nc2c(Br)cc(F)cc2n1[C@H]1CCCN(Cc2ccccc2)C1 1912663999 KRFGZUJPSBNHPH-PBHICJAKSA-N 450.783 6.075 50 10 JKGE Cc1c(Br)sc([C@@H](Cl)c2cc(F)c(Cl)cc2F)c1Br 1922955443 ZKTLJEXWOLPSPL-JTQLQIEISA-N 450.957 6.841 50 10 JKGE CCCOc1ccc([C@H](Br)c2csnc2Br)cc1Br 1925257237 RVGXWZLRNVZTNV-LBPRGKRZSA-N 470.024 5.941 50 10 JKGE Clc1c(Br)ccc(CBr)c1N1C[C@H]2C[C@H]1CN2Cc1ccccc1 1948741715 XZMBCOHXKVNHES-CVEARBPZSA-N 470.636 5.461 50 10 JKGE Cc1cc(Cl)c(Br)cc1[C@H](Br)c1ccc(Br)s1 2023697968 LOGABZIZTFCDLW-LBPRGKRZSA-N 459.428 6.719 50 10 JKGE Cc1cc(Br)c(F)c([C@@H](Cl)c2cc(Br)c(Br)s2)c1 2028923207 HMFFHXSIBGSQCW-SNVBAGLBSA-N 477.418 6.811 50 10 JKGE Brc1cccc(C[C@@H](Br)c2c(Br)cccc2Br)c1 2033091984 XTAJKIRYKBNGEX-CYBMUJFWSA-N 497.850 6.653 50 10 JKGE C[C@]1([C@H](Cl)c2c(Br)sc(Br)c2Br)C[C@@H]1C(F)(F)F 2039188671 UAJMQVJBUMGHBT-KCPCGSIISA-N 491.392 6.904 50 10 JKGE O=C(OC(=C[P+](c1ccccc1)(c1ccccc1)c1ccccc1)c1ccccc1)c1ccccc1 2042446545 GOTZURKUKIHJGI-UHFFFAOYSA-N 485.543 6.836 50 10 JKGE Cl[C@H](C[C@H]1CCC12CCC2)c1c(Br)sc(Br)c1Br 2047937742 ACCMFFPEBHRQSG-HTQZYQBOSA-N 477.487 7.286 50 10 JKGE FC1(F)CN(Cc2ccccc2)CCCCN(c2nc(Cl)c(CBr)s2)C1 2108601812 IGZFCZUNWHOBDP-UHFFFAOYSA-N 464.807 5.429 50 10 JKGE ClCc1cccc(OCc2cc(Br)ccc2Br)c1Br 2118520683 XCEZIEFTCNFUQT-UHFFFAOYSA-N 469.398 6.292 50 10 JKGE O=C(N[C@@H](CBr)c1ccsc1)c1cc(Br)ccc1Br 2119041677 YFPKBSHFAHTCBB-LBPRGKRZSA-N 468.008 5.139 50 10 JKGE Cc1cc(Br)c(C)c([C@@H](Br)COCC(F)(F)F)c1Br 2136378503 DOSFWPLSZJNHOO-VIFPVBQESA-N 468.933 5.843 50 10 JKGE Cc1c(Br)ccc([C@H](Br)[C@@H]2C[C@@H]2C2CCCC2)c1Br 2138852213 RLJOEEQQLHUZRP-IOASZLSFSA-N 451.040 6.782 50 10 JKGE Clc1cc(C[C@H](CBr)c2ccccc2Cl)ccc1I 2142940360 NEECVHKUQAQHNU-LLVKDONJSA-N 469.975 6.319 50 10 JKGE BrCc1cc(Br)ccc1N1CCCc2c(Br)cccc21 2145030047 VQXFIVOEQVBTAK-UHFFFAOYSA-N 460.007 6.191 50 10 JKGE Fc1ccc(N2CCC[C@@H]2[C@@H]2CCN(Cc3ccccc3)C2)c(CBr)c1Cl 2145257537 WICLIQBHKBOCAJ-YLJYHZDGSA-N 451.811 5.865 50 10 JKGE CC(C)(CCOc1c(Br)cc(Br)cc1CBr)C(F)(F)F 2150408423 OUORUNXAVDVHOX-UHFFFAOYSA-N 482.960 6.464 50 10 JKGE Oc1nc2ccc([C@@H](Br)c3c(Br)cccc3Br)cc2o1 2150495241 WDTYVKLLHYOMPK-CYBMUJFWSA-N 461.935 5.543 50 10 JKGE O=C(c1cc(Br)sc1Br)N1CC2(CCC2)CC[C@H]1CBr 2152053967 AOXHXQDXSOLWJI-VIFPVBQESA-N 486.067 5.443 50 10 JKGE Cc1sc(Br)c([C@@H](Br)c2c(Br)cc(F)c(F)c2F)c1C 2157254078 CBAVSBXFQBEUNG-SNVBAGLBSA-N 492.980 6.792 50 10 JKGE Cc1nc([C@H](Br)c2cc(Br)c3c(c2)C[C@H](C)O3)c(Br)s1 2169493826 FEXLDVZYXDAZKT-UPONEAKYSA-N 482.035 5.784 50 10 JKGE C[C@@H](c1cc(Br)cs1)N(C)c1cc(Br)cc(F)c1CBr 2186578053 RQALVVMEWLMGRE-QMMMGPOBSA-N 486.042 6.505 50 10 JKGE Cc1cc(Br)c(C)c([C@H](Br)[C@H]2CC23CCOCC3)c1Br 2201061690 HJJAQCGTRVZSHT-IAQYHMDHSA-N 467.039 6.081 50 10 JKGE Cc1c(Br)ccc([C@@H](Br)[C@H]2C(F)(F)C23CCCC3)c1Br 2203682758 JFELJPPBFUIUCB-CHWSQXEVSA-N 472.993 6.782 50 10 JKGE Cc1cc(Br)c(CBr)c(OCc2ccc(F)cc2Br)c1 2206255633 BKBGNRCHDOUGKV-UHFFFAOYSA-N 466.970 6.133 50 10 JKGE Fc1cc(Br)c(Br)cc1[C@H](Cl)c1ccsc1Br 2213491490 FNZWZXFFGRZCKB-SNVBAGLBSA-N 463.391 6.503 50 10 JKGE CCN(C(=O)c1cc(Br)sc1Br)[C@H]1CCC[C@H]1Br 2217693428 JTZAGVICPAFXAJ-BDAKNGLRSA-N 460.029 5.051 50 10 JKGE COc1cc(Br)c([C@@H](Br)c2ncsc2Br)cc1C 2220449138 XYTKBACGPSFUAR-SNVBAGLBSA-N 455.997 5.469 50 10 JKGE CCCCCCCCCO[C@@](C)(CI)CN(CC)C(=O)OC(C)(C)C 2223270934 XCPOTDUWNCZWNL-FQEVSTJZSA-N 469.448 6.204 50 10 JKGE Cc1cc(Br)c([C@H](Br)C[C@H]2CC[C@@H](C)O2)c(C)c1Br 2227352803 QXQHTKFSJNKNHV-IRUJWGPZSA-N 455.028 6.222 50 10 JKGE Cc1cc(Br)c([C@H](Br)[C@H]2CCCC2(F)F)c(C)c1Br 2227354223 WJABVCWIOPWFNF-NOZJJQNGSA-N 460.982 6.700 50 10 JKGE Cc1cc(Br)c([C@H](Br)C[C@]23CCC[C@@H]2C3)c(C)c1Br 2227357005 UEESBVYZCKQLRJ-AXAPSJFSSA-N 451.040 6.845 50 10 JKGE Cc1sc([C@H](Br)[C@@H](C)c2ccncc2Br)c(Br)c1C 2229320617 WGMVMJJWXLWFIC-ISVAXAHUSA-N 468.052 6.525 50 10 JKGE CC(C)(C)C1CC([C@H](Br)c2c(Br)cc(Cl)c(Cl)c2Cl)C1 2232512515 NMNOJAICRHXDSD-TYAJBCFHSA-N 463.468 7.918 50 10 JKGE C[C@](CI)(O[C@@H]1CC[C@@H]2[C@H]1C2(F)F)c1ccccc1Br 2238675251 JULYOXXQHFJABL-FMKGYKFTSA-N 457.096 5.160 50 10 JKGE O=C(c1scc(Br)c1Cl)N(Cc1ccccc1)[C@@H](CBr)C1CC1 2242666223 LOFGZKZBESCKPI-AWEZNQCLSA-N 477.649 5.980 50 10 JKGE Cc1c(Br)sc([C@@H](Br)C[C@H]2CCCC23CC3)c1Br 2255264815 WFZYEHWYAMMFPF-ZJUUUORDSA-N 457.069 6.988 50 10 JKGE Cc1cc(Br)sc1[C@H](Br)c1cc(F)c(Br)cc1F 2255682136 BYFQYSQAMOPEOP-LLVKDONJSA-N 460.963 6.344 50 10 JKGE Fc1cc(Br)c(F)c(Br)c1[C@H](Cl)c1cc(Br)sn1 2260071686 WVLXJHVBRKZHLA-SECBINFHSA-N 482.369 6.037 50 10 JKGE CC1(C)[C@H]2C[C@H]([C@@H](Br)Cc3cc(Br)cc(Br)c3)C[C@H]21 2277950783 YDPVZUSSGDTSRY-HPEDKQMDSA-N 451.040 6.200 50 10 JKGE Clc1cc(CBr)cc(Cl)c1OCc1ccc(I)cc1 2278806753 OWAIEYCVDSGCKL-UHFFFAOYSA-N 471.947 6.072 50 10 JKGE CN(Cc1cccc(I)c1)c1cc(Br)cc(F)c1CCl 2280266579 MGVKKWIFTLLJOH-UHFFFAOYSA-N 468.535 5.568 50 10 JKGE COc1ccc([C@@H](Br)c2cc(Br)cc(Br)c2)c(C)c1C 2284589386 JURHJVJIPGUOIV-INIZCTEOSA-N 463.007 6.321 50 10 JKGE COc1ccc([C@H](Br)c2cccc(OC)c2Cl)cc1I 2284998671 RZRLNMBGISGYSY-AWEZNQCLSA-N 467.528 5.446 50 10 JKGE Cc1cc([C@H](Br)c2c(F)cc(Br)c(F)c2Br)ccc1Cl 2288348171 CFUKSFKSMZZDAM-LBPRGKRZSA-N 489.379 6.936 50 10 JKGE Cc1cc(Br)c([C@@H](Br)[C@@]23CC[C@@](CF)(C2)OC3)cc1Br 2290467893 XAWACGNZIMQMSN-ILXRZTDVSA-N 471.002 5.865 50 10 JKGE CCOC(=O)C(C#N)=C1S[C@H](Cc2ccc(Cl)cc2Cl)C(=O)N1c1ccc(F)cc1 2293039267 VUYGHOZWBJIGGK-GOSISDBHSA-N 465.333 5.122 50 10 JKGE COc1cc(C=C(C#N)C(=O)NCc2ccccc2)ccc1OC(=O)C(C#N)=Cc1ccc(Cl)cc1 2293190889 ROKBJSYQKCNHMS-UHFFFAOYSA-N 497.938 5.085 50 10 JKGE COc1cc(C=C(C#N)c2nc(O)c3cc(Br)ccc3n2)ccc1OCc1ccccc1 2293858429 GPIIGHHRNCCBCM-UHFFFAOYSA-N 488.341 5.750 50 10 JKGE N#CC(=Cc1ccc(OCc2ccccc2C#N)c(Br)c1)C(=O)Nc1ccc(F)cc1 2294581342 IVIAJMWVECYCLV-UHFFFAOYSA-N 476.305 5.585 50 10 JKGE N#CC(=CNc1ccc(I)cc1)c1nc(-c2cc3ccccc3oc2=O)cs1 2296751854 FPRBKLMYTLWZLD-UHFFFAOYSA-N 497.317 5.498 50 10 JKGE CCCOC(=O)c1ccc(NC=C(C#N)c2nc(-c3ccc(Cl)c(Cl)c3)cs2)cc1 2296798387 NVTIFPGNTLOVMO-UHFFFAOYSA-N 458.370 6.660 50 10 JKGE BrCCCCCCNCc1ccc(I)c(Br)c1 2306219549 NIOJFZFLDDQCDZ-UHFFFAOYSA-N 475.006 5.099 50 10 JKGE FC1(F)CC[C@@H](Cc2ccc(I)c(Br)c2)[C@H]1Br 2306223729 IYMSAPSQKLTKOL-GZMMTYOYSA-N 479.928 5.405 50 10 JKGE Cc1ccccc1NC(=O)C(C#N)=Cc1cc(Br)c(Sc2ccc(Cl)cc2)o1 2313564886 DKBZLXZHYHLUSQ-UHFFFAOYSA-N 473.779 6.701 50 10 JKGE CCOc1cc(C=C(C#N)C(=O)Nc2ccc(Cl)c(Cl)c2)cc(Br)c1O 2313631206 MBWIXCDFOLETQD-UHFFFAOYSA-N 456.123 5.406 50 10 JKGE CC1=C(C#N)C(=O)N(C(C)C)C(=O)C1=Cc1cn(-c2ccccc2)nc1-c1cc(C)c2c(c1)C[C@@H](C)O2 2314609948 ANFWCEYJEVPWOE-LJQANCHMSA-N 492.579 5.172 50 10 JKGE COc1cc(C=C2C(=O)N(Cc3ccc(C)cc3)C(=O)C(C#N)=C2C)ccc1OCc1ccc(F)cc1 2314617438 YKSAMWQNYKXSRG-UHFFFAOYSA-N 496.538 5.514 50 10 JKGE CCCCOc1ccccc1[C@@H]1C(C#N)=C(N)Oc2cc(OC(=O)C=Cc3ccccc3)ccc21 2314634856 WAWHVTWFJLNZRI-NDEPHWFRSA-N 466.537 5.702 50 10 JKGE COc1cc(C=C(C#N)C(=O)NC(C)C)ccc1OC(=O)CCCOc1cc(C)c(Cl)c(C)c1 2314772794 XVCSBIQEHUPHPR-UHFFFAOYSA-N 484.980 5.162 50 10 JKGE Cc1cc(Br)c(F)c(Br)c1[C@H](Cl)c1cocc1Br 2317394800 BKVCSWWCPVCNJQ-LLVKDONJSA-N 461.350 6.343 50 10 JKGE O=C(N[C@H](CCBr)COCc1ccccc1)c1cc(Br)c(F)cc1Cl 2320359121 YCCGGUBZAFCCDR-CYBMUJFWSA-N 493.598 5.342 50 10 JKGE CCCCC(=O)NN=Cc1cn(-c2ccccc2)nc1-c1ccc(OCc2ccc(Cl)cc2)cc1 2321683170 MGTPXMYLPHONDI-UHFFFAOYSA-N 487.003 6.412 50 10 JKGE O=C1C(=Cc2ccc(Br)cc2)Oc2cc(OCc3ccc(CCl)cc3)ccc21 2325339402 OYPXZZIUCSLZMN-UHFFFAOYSA-N 455.735 6.383 50 10 JKGE CC[C@]1(C)[C@H](Br)C[C@H]1OCc1ccc(I)c(Br)c1 2325371117 JWMYERKVPPPDTQ-MGPQQGTHSA-N 488.001 5.522 50 10 JKGE CCCOc1ccc(-c2csc(C(C#N)=C(O)Cc3cc(OC)ccc3OC)n2)cc1OCCC 2331293285 RVVZPJHMCIWSLX-UHFFFAOYSA-N 494.613 6.440 50 10 JKGE N#CC(=C(O)c1ccc2c(c1)C(=O)N(Cc1ccccn1)C2=O)c1nc(-c2ccc(Cl)cc2)cs1 2331295812 HERNCKASCFGVDA-UHFFFAOYSA-N 498.951 5.605 50 10 JKGE COc1ccc(OC)c(-c2csc(C(C#N)=C(O)[C@H](C)Oc3ccc(Cl)cc3Cl)n2)c1 2331325256 CLKOSYWLWOSBBY-LBPRGKRZSA-N 477.369 6.394 50 10 JKGE CC(C)(C)c1ccc(OCCCC(O)=C(C#N)c2nc(-c3ccc4c(c3)OCCO4)cs2)cc1 2331331117 UENCNGCKNHVPTC-UHFFFAOYSA-N 476.598 6.531 50 10 JKGE COc1ccc(Cl)cc1-c1csc(C(C#N)=C(O)COc2ccc(C)cc2C(C)(C)C)n1 2331410859 LSZSSCDDELOALB-UHFFFAOYSA-N 469.006 6.950 50 10 JKGE CCCCCOc1ccc(C=C(C#N)c2nc(-c3ccc(OC)c(C)c3C)cs2)cc1OC 2331468311 WAHHUJJAGVTHOI-UHFFFAOYSA-N 462.615 7.077 50 10 JKGE Cc1cc(Br)c([C@@H](Br)C[C@@H]2C[C@H]2C2CC2)c(C)c1Br 2333708542 LDVPORNKOVTXOA-OBJOEFQTSA-N 451.040 6.701 50 10 JKGE Cc1ccc(C)c(C[C@@H](Br)c2cc(Br)ccc2OCc2ccccc2)c1 2336076489 ZIHYUKOFKOBMIR-JOCHJYFZSA-N 474.236 7.324 50 10 JKGE Fc1cc(F)c([C@H](Br)c2cc(Br)ccc2OCc2ccccc2)cc1F 2336121910 SFULDNHUFUJLHK-FQEVSTJZSA-N 486.125 6.930 50 10 JKGE CC(C)(C1CCC1)[C@@H](Br)c1c(Cl)cc(Br)c(F)c1Br 2337080656 KZMGMDGKITWCGS-ZDUSSCGKSA-N 477.437 7.266 50 10 JKGE Cn1c([C@H](Cl)c2c(Cl)cc(Br)c(F)c2Br)cnc1Cl 2337095213 XXRVNAKZYXYOTF-VIFPVBQESA-N 451.348 5.719 50 10 JKGE CCCc1sc(Br)cc1[C@H](Br)c1ccc(C)c(Br)c1 2338023509 IFZKRMSKTRZIOQ-OAHLLOKOSA-N 467.064 7.018 50 10 JKGE Cc1c(F)ccc([C@@H](Br)c2c(Cl)sc(Br)c2Cl)c1Cl 2338566988 UQBMRFVLNANWAQ-MRVPVSSYSA-N 467.412 7.403 50 10 JKGE CC[C@H]([C@H](Br)c1c(C)cc(Br)c(F)c1Br)C(C)(F)F 2339656431 NSPQYLCZALNCIO-XCBNKYQSSA-N 466.961 6.777 50 10 JKGE COC[C@@H]1C[C@H]1[C@@H](Br)c1c(C)cc(Br)c(OC)c1Br 2339660062 YVKKOVMMAHUJPJ-YGOYTEALSA-N 457.000 5.247 50 10 JKGE Cc1cc(Br)c(F)c(Br)c1[C@@H](Cl)c1csc(C)c1Br 2343461996 YLVCLJUXQNJMSK-LBPRGKRZSA-N 491.445 7.120 50 10 JKGE CC1(C)CC([C@H](Br)c2cc(Br)ccc2OCc2ccccc2)CC(C)(C)C1 2361204506 HQGIUFAENJRPHM-QFIPXVFZSA-N 494.311 8.317 50 10 JKGE COc1c(Br)cc(C)c([C@H](Br)[C@@H]2C[C@@H]2[C@@H]2C[C@H]2C)c1Br 2365192563 WMRMWKSBIDLRLM-RDROLGDGSA-N 467.039 6.257 50 10 JKGE COc1c(Br)cc(C)c([C@@H](Br)[C@@H]2C[C@H]3CC[C@H]2O3)c1Br 2365234760 KAFFEEHEYFWBFK-MRGUHSIWSA-N 469.011 5.532 50 10 JKGE Clc1cc(Cl)cc(CC[C@@H](Cl)c2ccc(Cl)cc2I)c1 2366895983 HBRKHJFHWVRAGZ-CQSZACIVSA-N 459.969 7.164 50 10 JKGE COCc1ccc([C@@H](Br)c2c(C)cc(Br)c(F)c2Br)s1 2368081313 FARKKHYTVJPXQQ-GFCCVEGCSA-N 487.026 6.351 50 10 JKGE ClCC[C@H](NCc1ccc(I)c(Br)c1)C1CCCCC1 2377324347 NQDCVVPOHOUEDI-INIZCTEOSA-N 470.620 5.721 50 10 JKGE O=C(N/N=C/c1cc(Br)cc(Br)c1O)c1sc2ccccc2c1Cl 1881088 GDNQMQCDGCZWCF-IFRROFPPSA-N 488.588 5.549 50 10 JKGE COc1ccc(NC(=O)/C(C#N)=C\c2c(Oc3ccc(Cl)cc3)nc3c(C)cccn3c2=O)cc1 2437157 MJXGEXUVTITIJO-VKAVYKQESA-N 486.915 5.003 50 10 JKGE Cc1ccc(C)c(NC(=O)/C(C#N)=C\c2cn(Cc3ccc(Cl)cc3Cl)c3ccccc23)c1 33362779 BZKODHLIBZVAHC-NDENLUEZSA-N 474.391 7.159 50 10 JKGE N#C/C(=C/c1cc(Cl)ccc1OCc1ccc(C(=O)O)cc1)C(=O)Nc1cccc(Cl)c1 33649461 WRBOWAAALRKMTJ-ZDLGFXPLSA-N 467.308 5.816 50 10 JKGE N#C/C(=C/c1ccc(Oc2ccc([N+](=O)[O-])cc2C(F)(F)F)cc1)c1nc2ccccc2[nH]1 33695352 ZXNMHWDUYXBDLT-PTNGSMBKSA-N 450.376 6.346 50 10 JKGE CCCN1C(=O)C(C#N)=C(C)/C(=C\c2ccc(OCc3ccc(Cl)cc3Cl)cc2)C1=O 38603523 OXEKOYHMZFWNGD-RGVLZGJSSA-N 455.341 5.575 50 10 JKGE CCCCOc1ccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4ccc(C)cc4)ccc32)cc1 38650744 UEOVAUKNOJEDAQ-SANMLTNESA-N 454.526 5.611 50 10 JKGE COc1cc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4cccs4)ccc32)ccc1OCC(C)C 38684171 UBXXHJZWJMKFTH-XMMPIXPASA-N 476.554 5.229 50 10 JKGE O=C(CCCc1c(-c2ccc3ccccc3n2)[nH]c2ccc(Cl)cc12)NNC(=O)c1ccco1 39867475 DUBFICQOBPUIMZ-UHFFFAOYSA-N 472.932 5.413 50 10 JKGE N#C/C(=C\c1ccc(-c2cc(Cl)cc(Cl)c2)o1)c1nc(-c2cccc([N+](=O)[O-])c2)cs1 39885065 AYHBDAIJWJGNEC-OQLLNIDSSA-N 468.321 7.349 50 10 JKGE CCCCc1ccc(NC(=O)c2oc3c(c2C)/C(=N/NC(=O)Cc2ccccc2)CCC3)cc1 40815682 NKTLBJPUSGJDCT-JJKYIXSRSA-N 457.574 5.582 50 10 JKGE COc1cc(/C=C(/C#N)C(=O)Nc2ccc(C)cc2)c(Br)cc1OCc1cccc(F)c1 59335394 CTZOAMNTZDDRNJ-ODLFYWEKSA-N 495.348 6.030 50 10 JKGE C=CCn1c(CNc2ccc(Cl)cc2)nnc1S[C@@H](C)C(=O)N/N=C(\C)c1ccc(C)cc1 59475352 DQJJWAKKIQNSKH-CICSQNLLSA-N 483.041 5.059 50 10 JKGE COc1cc(/C=C(/C#N)S(=O)(=O)c2ccccc2)ccc1OCc1c(Cl)cccc1Cl 103762051 PMWWREHLWJVDQU-PDGQHHTCSA-N 474.365 5.919 50 10 JKGE Cc1ccc(N/C(SCc2ccccc2Cl)=C(\C#N)S(=O)(=O)c2ccccc2)c(C)c1 104689000 QGNBKYKPMBKZJH-VHXPQNKSSA-N 469.031 6.469 50 10 JKGE CCc1ccccc1N/C(SCc1cccc(F)c1)=C(\C#N)S(=O)(=O)c1ccccc1 104689142 UAYDFPJOGYEJAP-VHXPQNKSSA-N 452.576 5.900 50 10 JKGE CCCCCCCCCCCCCC(=O)N/N=C/c1cc(Br)ccc1OCCC 105066945 UJAGNUROSMIZMU-LHLOQNFPSA-N 467.492 7.389 50 10 JKGE Cc1cc(Br)c([C@@H](Br)c2c(F)cc(Br)cc2F)s1 122339580 VOPCIGCPZPVDKA-NSHDSACASA-N 460.963 6.344 50 10 JKGE Cc1cc(Br)c(S(=O)(=O)Nc2cccc(CBr)c2)cc1Br 137110111 SGXDGDIGZNEVTF-UHFFFAOYSA-N 498.034 5.216 50 10 JKGE Clc1cc([C@H](Br)Cc2ccc(Br)cc2)ccc1Br 149048985 BARUTAPGLCTWIN-CYBMUJFWSA-N 453.399 6.544 50 10 JKGE Cc1cc(Br)c([C@@H](Br)c2ccc3cc(Br)ccc3c2)s1 159678732 IVPOFTJYBXNRIN-HNNXBMFYSA-N 475.043 7.219 50 10 JKGE CCCOc1cccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)/C=C\c4ccccc4)ccc32)c1 205658582 LNXVZQIPCSOAQU-IRWNJFDWSA-N 452.510 5.312 50 10 JKGE CC[C@@H](C)[C@@H](c1ccccc1)[C@@H](Br)c1cc(Br)c(Br)s1 226742046 VDHCSWNQRBONNU-ONERCXAPSA-N 481.091 7.539 50 10 JKGE CCOc1ccc([C@@H](Cl)c2cc(Cl)ccc2I)cc1Br 233797160 SBKFIRJIINYBPV-OAHLLOKOSA-N 485.974 6.434 50 10 JKGE Clc1ccc([C@H](Br)c2cc(Br)c(Cl)s2)cc1Br 236066078 AXUCYFNXEYFMJJ-JTQLQIEISA-N 479.846 7.064 50 10 JKGE Clc1ccc(I)c([C@H](Br)Cc2ccccc2Cl)c1 236069299 CNHGIUARJYAYDB-GFCCVEGCSA-N 455.948 6.277 50 10 JKGE CCOc1ccc(C=NNC(=O)c2cc(-c3ccccc3OC)nc3ccccc23)cc1OCC 252628816 SYKKLBYLCZVJOI-UHFFFAOYSA-N 469.541 5.472 50 10 JKGE O=C(Nc1ccccc1C(=O)NN=Cc1ccc(-c2ccc([N+](=O)[O-])cc2)o1)c1ccccc1F 254506130 KYRYFSOKWQJPOA-UHFFFAOYSA-N 472.432 5.010 50 10 JKGE CCOc1cc(C=NNC(=O)CSc2nnc(-c3ccccc3)s2)ccc1OCCC(C)C 256028340 GHYIATXTUBRZGD-UHFFFAOYSA-N 484.647 5.271 50 10 JKGE O=C(NC[C@@H]1CCC[C@@H](CBr)C1)c1cc(Br)sc1Br 311977792 NZKOARGYIQNIHE-RKDXNWHRSA-N 474.056 5.204 50 10 JKGE CSc1ccc([C@@H]2CN(C(=O)OCc3ccccc3)C[C@@H]2CI)cc1 382690219 MOXXLIZFHGNUEN-HKUYNNGSSA-N 467.372 5.196 50 10 JKGE Cn1ncc([C@@H](Br)c2csc3c(Br)cccc23)c1Br 393591991 AHHRNKBOHMXQJW-LLVKDONJSA-N 465.008 5.644 50 10 JKGE CC(C)(C)[Si](C)(C)OCCN1CCCOC[C@@H]1c1ccc(CO[Si](C)(C)C(C)(C)C)cc1 616599967 UCOSHCSIQJLGGM-XMMPIXPASA-N 479.854 6.994 50 10 JKGE CC(C)(C)[Si](C)(C)OCCc1cccc([C@@H]2CCCCCN2S(=O)(=O)c2ccccc2)c1 616632328 RDFQXMZAJBYIRD-VWLOTQADSA-N 473.755 6.557 50 10 JKGE COCc1cc(Br)c([C@@H](Cl)c2csc(I)c2)s1 688102274 QHFKHEREZZHFEJ-JTQLQIEISA-N 463.587 5.651 50 10 JKGE Brc1cscc1[C@@H](Br)c1cc(Br)c2c(c1)CCCO2 689544594 MYZDQOTYDRUDNA-ZDUSSCGKSA-N 467.020 6.082 50 10 JKGE CCCOc1ccc([C@H](Br)c2c(Br)cnn2C)cc1Br 693084147 MVVCSBQXMJEZBJ-ZDUSSCGKSA-N 466.999 5.218 50 10 JKGE CCOc1ccc(Br)cc1[C@@H](Br)c1ncsc1Br 698648822 SESYEXDHMOUCTA-SNVBAGLBSA-N 455.997 5.551 50 10 JKGE C[C@H](Cl)c1nc2ccc(F)cc2n1CC1(N(Cc2ccccc2)Cc2ccccc2)COC1 705783954 UNZLJHBTTLNIGJ-FQEVSTJZSA-N 463.984 5.947 50 10 JKGE N#Cc1cccc(COc2ccc(Cl)cc2C=NNC(=O)c2ccccc2Br)c1 1083993196 NZVRQHZICAGQHK-UHFFFAOYSA-N 468.738 5.317 50 10 JKGE N#C/C(=C/c1cn(CCCOc2ccccc2Cl)c2ccccc12)C(=O)NCc1cccs1 1084116889 XQUXDUWENQEZBH-CYVLTUHYSA-N 476.001 6.049 50 10 JKGE Cc1cc(C=NNC(=O)C(=O)Nc2cccc(Cl)c2)c(C)n1-c1ccc(Cl)c(Cl)c1 1084192423 DJJRRNPFFPRNSV-UHFFFAOYSA-N 463.752 5.143 50 10 JKGE CCCCOc1ccc(C=NNC(=O)COc2ccc(Br)cc2C(C)C)cc1OC 1772755321 AYHFHTHHVQPYFW-UHFFFAOYSA-N 477.399 5.289 50 10 JKGE FC(F)(F)c1ccc(CBr)cc1-c1c(Cl)c(Cl)c(Cl)c(Cl)c1Cl 1848369137 HPLBAPNBJKAQBS-UHFFFAOYSA-N 487.357 8.534 50 10 JKGE CC(C)(C)c1ccc(C(=O)Nc2cccc3c(OC(=O)Nc4ccc(SC#N)cc4)cccc23)cc1 1858771132 OLANUEQXHTUMRB-UHFFFAOYSA-N 495.604 7.574 50 10 JKGE CCCc1nn(Cc2c(F)cccc2Cl)c2c1[C@@H](c1ccc(C(C)C)cc1)C(C#N)=C(N)O2 1865684937 BWKJWUYFQJRXJV-QHCPKHFHSA-N 464.972 6.018 50 10 JKGE N#CC1=C(N)Oc2c(c(C(F)(F)F)nn2-c2cccc(Cl)c2)[C@@H]1c1c(F)cccc1Cl 1865685153 GGGPREGLABOQPI-AWEZNQCLSA-N 469.225 5.555 50 10 JKGE C=CCOc1ccccc1[C@H]1C(C#N)=C(N)Oc2c1c(C(F)(F)F)nn2Cc1ccc(C)cc1 1865691136 KHLYWTYORJUOJV-FQEVSTJZSA-N 466.463 5.042 50 10 JKGE CCCOc1ccccc1[C@@H]1C(C#N)=C(N)Oc2c1c(-c1ccccc1)nn2Cc1ccccc1F 1865702940 ISUAYWQFDDIHTQ-RUZDIDTESA-N 480.543 5.744 50 10 JKGE Cc1ccc(C)c(Cn2nc(C(F)(F)F)c3c2OC(N)=C(C#N)[C@@H]3c2ccccc2OC(C)C)c1 1865705330 SMFSCGQBUSXEKZ-NRFANRHFSA-N 482.506 5.572 50 10 JKGE CCCc1nn(Cc2c(F)cccc2Cl)c2c1[C@@H](c1ccc(CC)cc1)C(C#N)=C(N)O2 1865708965 KGQRJBFCSARXDG-QFIPXVFZSA-N 450.945 5.457 50 10 JKGE Cc1nc(-c2ccc(Cl)cc2Cl)ccc1C(=O)N/N=C\c1cccc(OCc2ccccc2)c1 1865760671 JNHFJFVISTUOSJ-UHBFCERESA-N 490.390 6.707 50 10 JKGE CCCC[C@@H](NC(=O)CCc1nc(-c2ccc(F)cc2)cs1)C(=O)Nc1ccc(SC#N)cc1 1867069713 BADCPYMBTWOFOA-OAQYLSRUSA-N 496.633 5.769 50 10 JKGE N#C/C(=C(O)\C=C/c1ccc2c(c1)OCCO2)c1nc(-c2ccc(Cl)c(Cl)c2)cs1 1872748578 DAQUBKWSVPMBOC-MYKHZPRESA-N 457.338 6.394 50 10 JKGE N#C/C(=C(/O)Cc1ccc(OCc2ccccc2)cc1)c1nc(-c2cccc3ccccc23)cs1 1872752466 DIGPPTKCGLKGEI-OHYPFYFLSA-N 474.585 7.578 50 10 JKGE CCCCCCCOc1ccc(-c2csc(/C(C#N)=C(\O)COc3c(C)ccc(C)c3C)n2)cc1 1872753314 QZUXJOHBVHVUJT-RFBIWTDZSA-N 490.669 7.956 50 10 JKGE Cc1ccccc1COc1ccc(/C=C(\C#N)c2nc(-c3cccc([N+](=O)[O-])c3)cs2)cc1 1872782489 IDJHBMMETCHDBI-LPYMAVHISA-N 453.523 6.670 50 10 JKGE N#C/C(=C\c1ccccc1)C(=O)N1CC[C@H](c2ccc(F)cc2)[C@@H](COc2ccc3c(c2)OCO3)C1 1873789321 KDEKSZQMVPOIOG-WUQHNJTGSA-N 484.527 5.173 50 10 JKGE CC[C@H](C)[C@H](NC(=O)OC(C)(C)C)C(=O)N/N=C/c1cccc(OCc2cccc(Cl)c2)c1 1873793201 BUYYZZOUBNEDDD-HUQXMHCUSA-N 474.001 5.309 50 10 JKGE Fc1ccsc1[C@@H](Br)c1cc(Br)ccc1OCc1ccccc1 1899892657 LSERNCXTFMPGMJ-KRWDZBQOSA-N 456.174 6.713 50 10 JKGE Brc1cccc(Br)c1C[C@H]1CCCCCCCC[C@H]1Br 1913417720 WEMMIZAZPOUGJK-UKRRQHHQSA-N 467.083 7.268 50 10 JKGE C[C@H](CBr)N(Cc1ccccc1)C(=O)c1cc(Br)sc1Br 1914211554 DBGIPRYEJSGHHS-SNVBAGLBSA-N 496.062 5.699 50 10 JKGE C[C@@H](Br)CN(Cc1ccccc1)c1ncc(Br)cc1C(F)(F)F 1914651808 UHXFJNDKFQIQPF-LLVKDONJSA-N 452.112 5.653 50 10 JKGE CC(C)[C@H](CCl)N(Cc1ccccc1)Cc1cccc(Br)c1Br 1915295729 NBCXIYWKLFBYTJ-SFHVURJKSA-N 459.653 6.477 50 10 JKGE C[C@H]1CN(Cc2ccccc2)C[C@H](C)N(c2cccc(Br)c2CBr)C1 1921467529 AYSRTNVBVBVXSF-IRXDYDNUSA-N 466.261 5.691 50 10 JKGE Cc1c(Br)sc([C@H](Br)[C@@H]2C(F)(F)C23CCC3)c1Br 1922932060 IMBVUUCOSFYCNP-CBAPKCEASA-N 464.995 6.453 50 10 JKGE Clc1c(Br)sc(Br)c1[C@@H](Br)CCC1CCCCC1 1923037211 BJKDUYMAXKQHLL-VIFPVBQESA-N 479.503 7.723 50 10 JKGE Brc1sc(Br)c([C@@H](Br)c2ccsc2)c1Br 1924576686 RFPOSLHJACEIAX-LURJTMIESA-N 495.881 6.581 50 10 JKGE CC1(C)C([C@@H](Cl)c2c(Br)sc(Br)c2Br)C1(C)C 1924582848 BSDUIIHWFPBWTA-ZETCQYMHSA-N 465.476 6.998 50 10 JKGE Fc1ccc([C@@H](Cl)c2c(Br)sc(Br)c2Br)cc1Cl 1924590942 MJWDSVBQPVKLHJ-SECBINFHSA-N 497.836 7.156 50 10 JKGE Brc1ccc([C@H](Br)c2cccc(Br)c2Br)cc1 1943904687 ZXBINGSPNLKQEB-LBPRGKRZSA-N 483.823 6.458 50 10 JKGE Clc1cccc(Br)c1[C@H](Cl)c1cc(Br)c(Br)s1 2003557545 HFMIWNAEXXFMGX-SNVBAGLBSA-N 479.846 7.017 50 10 JKGE C[C@H]1CN(Cc2ccccc2)CCN1c1cc(Br)cc(F)c1CBr 2004045881 PPBSBOQAYQHKJM-AWEZNQCLSA-N 456.197 5.194 50 10 JKGE Cc1cc(Cl)c(Br)cc1[C@@H](Br)c1sccc1Br 2023698157 NVGWRVCLPWDKFU-LLVKDONJSA-N 459.428 6.719 50 10 JKGE CC[C@@H](Br)CN(Cc1ccccc1)S(=O)(=O)c1ccc(Br)cc1C 2025938746 LKKVZYZLOBVGDE-MRXNPFEDSA-N 475.246 5.122 50 10 JKGE Cc1csc([C@@H](Br)c2cc(F)c(Br)cc2F)c1Br 2039336284 QRBZOEFLLHWMNO-NSHDSACASA-N 460.963 6.344 50 10 JKGE FC12CCC([C@H](Cl)c3c(Br)sc(Br)c3Br)(CC1)C2 2039756414 TVVUROPQIWRCSA-HUUUCTMMSA-N 481.450 6.988 50 10 JKGE Cc1cc([C@H](Br)c2cc(Cl)c(C)c(Br)c2)sc1Br 2048503606 NEZUPDHWFPQRPH-GFCCVEGCSA-N 473.455 7.028 50 10 JKGE COc1ccc(C=CC(=O)c2ccc(O)c(CCCl)c2)cc1OCc1ccc([N+](=O)[O-])cc1 2053575373 UUTKDWZZRUFRRC-UHFFFAOYSA-N 467.905 5.565 50 10 JKGE Brc1cc([C@H](Br)[C@H]2C[C@H]3COC[C@H](C3)C2)sc1Br 2085748245 OPOVSRRZHGFLRW-JXVAYASWSA-N 459.041 5.772 50 10 JKGE Fc1c(Br)cccc1[C@@H](Br)c1cc(C2CC2)c(Br)s1 2094673314 JSVWMLBALFLCAL-GFCCVEGCSA-N 469.011 6.774 50 10 JKGE BrC[C@@H]1CC2(CCC2)CN1Cc1c(Br)cccc1Br 2095172301 DADYGECVOARKGM-NSHDSACASA-N 452.028 5.351 50 10 JKGE C[C@H](Cl)c1nc2cc(I)c(F)cc2n1[C@H]1CC[C@@H]1OCc1ccccc1 2100140109 YXKLOPOTGBKMML-KHDYIWLOSA-N 484.740 6.000 50 10 JKGE BrC[C@@H]1C[C@H]2CCC[C@H]2N1Cc1ccc(Br)cc1Br 2108391092 HFQFDDMBRSGPFV-RIEGTJTDSA-N 452.028 5.350 50 10 JKGE CCn1cc([C@H](Br)c2cc(Br)c(Cl)cc2C)nc1Br 2137647096 VIUFSDGYOJDLKG-GFCCVEGCSA-N 471.418 5.874 50 10 JKGE Cc1cc(Cl)c(Br)cc1[C@@H](Cl)c1cccc(F)c1I 2137659298 NGJNKNSMECZUIV-ZDUSSCGKSA-N 473.938 6.483 50 10 JKGE Clc1cc(C[C@]2(CBr)CCCCC23CC3)ccc1I 2142941809 YNZCUFLXLOZPCX-INIZCTEOSA-N 453.589 6.223 50 10 JKGE Clc1cc(CN2[C@@H](CBr)CCC23CCC3)ccc1I 2142943283 LEJCPRXYASTYKI-GFCCVEGCSA-N 454.577 5.227 50 10 JKGE ClCc1nc2cc(I)ccc2n1[C@H]1CN(Cc2ccccc2)C2(CCC2)C1 2155368754 BEJYJPVQYJEZEG-GOSISDBHSA-N 491.804 5.749 50 10 JKGE BrCc1ccc(N2CCC[C@]3(CCCN(Cc4ccccc4)C3)C2)c(Br)c1 2163306601 LHDDMWOTYSQNOY-QHCPKHFHSA-N 492.299 6.227 50 10 JKGE Cc1cc(Br)c([C@H](Br)[C@H]2CCn3nccc3C2)cc1Br 2165245696 LOMYBPJYYZQTSL-ZUZCIYMTSA-N 463.011 5.415 50 10 JKGE C[C@@H](Cl)c1nc2cc(Cl)c(Br)cc2n1Cc1ccn(Cc2ccccc2)n1 2169011097 OOHRQCCGLDRJCQ-CYBMUJFWSA-N 464.194 6.045 50 10 JKGE Cc1cc(Br)c(CCl)c(N2CCN(Cc3ccccc3)C[C@H]2C(F)(F)F)c1 2186710533 LHORPDOODXZNNW-IBGZPJMESA-N 461.753 5.749 50 10 JKGE COc1cc(Br)c(C)cc1[C@@H](Br)c1c(Br)c(C)nn1C 2192373273 BURWDJCFVSEZEE-CYBMUJFWSA-N 466.999 5.055 50 10 JKGE COc1cc(Br)c([C@@H](Br)[C@H]2C[C@@H](Br)C2)c(OC)c1OC 2196896281 MKTCEPNPKQKGSV-SXMVTHIZSA-N 472.999 5.084 50 10 JKGE Cc1cc(Br)c(C)c([C@H](Br)c2c(C)oc(C)c2C)c1Br 2201075530 VCOQAAUHRDGLPH-MRXNPFEDSA-N 465.023 6.831 50 10 JKGE COCC1([C@@H](Br)c2ccc(Br)c(C)c2Br)CCCCC1 2203681684 DFDYVFODSDPUCT-HNNXBMFYSA-N 469.055 6.553 50 10 JKGE CC1(C)OC[C@@H](c2sc(Br)c(Br)c2Br)[C@H]1Br 2212201228 VAJRLPFLXSZMAJ-RNHFCUEFSA-N 497.872 5.692 50 10 JKGE Cc1ccc(I)c(C(=O)N(Cc2ccccc2)[C@H](C)CCBr)c1 2212707078 LLHDCJWVYGLQLY-OAHLLOKOSA-N 486.191 5.416 50 10 JKGE Cc1sc([C@H](Cl)c2sc(Br)c(C)c2Br)c(Br)c1C 2221838602 SXJWPFYIQXCKLB-VIFPVBQESA-N 493.511 7.351 50 10 JKGE Cc1cc(Br)c([C@@H](Br)C(C(C)C)C(C)C)c(C)c1Br 2227346872 GARMRIUPXPVCRH-INIZCTEOSA-N 455.072 7.193 50 10 JKGE CC[C@@H](c1ccccc1)[C@H](Br)c1cc(Br)c(Br)cc1F 2233976046 NGEHBDANPQUJGT-ZBEGNZNMSA-N 464.998 6.981 50 10 JKGE CCCCCCCCCO[C@@H](CI)c1cccc(Br)c1 2239550643 CRTNTMKXUAVOMF-KRWDZBQOSA-N 453.202 6.692 50 10 JKGE Cc1sc(Br)c(C)c1[C@@H](Cl)c1ccc(Cl)c(I)c1 2256335300 GLNAOYJLCZPICP-LBPRGKRZSA-N 476.004 6.714 50 10 JKGE COc1ccc([C@H](Br)c2cocc2Br)c(Br)c1Cl 2258148087 LNMJNHYCBYJWOZ-JTQLQIEISA-N 459.359 5.951 50 10 JKGE Fc1cc(Br)c(F)c(Br)c1[C@@H](Br)CCC(F)(F)F 2259998156 ACOJZJYWCJTXMN-BYPYZUCNSA-N 460.860 6.268 50 10 JKGE COc1cc(C)c(Br)c(C)c1[C@H](Br)c1ccoc1Br 2269619779 IFCNXGRMTOIZJA-CYBMUJFWSA-N 452.968 5.914 50 10 JKGE COc1sccc1[C@H](Br)c1c(F)cc(Br)c(F)c1Br 2272838022 SJGIJNYSNMPSBS-VIFPVBQESA-N 476.962 6.044 50 10 JKGE Brc1cc(Br)cc(C[C@H](Br)[C@@H]2C[C@H]3CCCC[C@H]32)c1 2277962191 DIORUDNZSOGYKE-MPESAESLSA-N 451.040 6.344 50 10 JKGE Cc1cc(Br)c([C@@H](Cl)c2c(Br)cccc2Br)c(C)c1F 2279149587 QGHLEUVSOZWEGM-CQSZACIVSA-N 485.416 7.058 50 10 JKGE C[C@H](Br)CN(CCC(C)(C)C)Cc1ccc(I)c(Cl)c1 2288142010 HWIBCFBTMOSSGG-LBPRGKRZSA-N 472.636 5.966 50 10 JKGE O=C(Cl)C=Cc1ccc(OCc2ccc(F)cc2Cl)c(I)c1 2293940791 DSUYZVYYWWIQNW-UHFFFAOYSA-N 451.062 5.441 50 10 JKGE CCc1ccc(NC(=O)C(C#N)=Cc2cc(Br)cc(Br)c2O)cc1 2294168674 ZMLOFCWGHHHAFJ-UHFFFAOYSA-N 450.130 5.025 50 10 JKGE N#CC(=Cc1ccc(OCc2cccc([N+](=O)[O-])c2)c(Br)c1)C(=O)Nc1ccccc1F 2294175238 IDNCFOSORSSVHE-UHFFFAOYSA-N 496.292 5.621 50 10 JKGE CNC(=O)c1c(NC(=O)C(C#N)=Cc2c(-c3ccccc3)nc3c(C)cccn23)sc2c1CCCC2 2296851820 PLLKNCSEHLIBJR-UHFFFAOYSA-N 495.608 5.155 50 10 JKGE Cc1ccc(C)c(NC(SCc2cccc(F)c2)=C(C#N)S(=O)(=O)c2ccccc2)c1 2297350042 PFPRSGJWAFGYHU-UHFFFAOYSA-N 452.576 5.954 50 10 JKGE Cc1cc([C@H](Br)c2cc(Br)ccc2OCc2ccccc2)sc1C 2299535583 QPHOWAJULFQIMC-HXUWFJFHSA-N 466.238 7.191 50 10 JKGE CN[C@H](c1c(Cl)cc(Br)c(F)c1Br)[C@@H]1C[C@@H]1Br 2300177566 XYKSXNUORZBCAH-WOKAVZEJSA-N 450.371 5.048 50 10 JKGE Cc1cc(Br)c(F)c(Br)c1[C@H](Br)C1(Br)CCC1 2301491637 GKVRIPNEWZSRDQ-NSHDSACASA-N 493.834 6.413 50 10 JKGE N#CC(=Cc1cc(Br)ccc1OCc1ccccc1Cl)C(=O)Nc1ccc(F)cc1 2313630382 IZTHTXFHTUGCOX-UHFFFAOYSA-N 485.740 6.366 50 10 JKGE N#CC(C(=O)Nc1ccc(Cl)cc1)=C1C(=O)N(Cc2ccccc2)c2ccc(Br)cc21 2313637883 KICYYMMOUDGNPT-UHFFFAOYSA-N 492.760 5.565 50 10 JKGE CC1(C)C[C@H](C[C@H](Br)c2ccc(OCc3ccccc3)cc2Br)CO1 2314440856 TVGQQOGDTJQKIR-LPHOPBHVSA-N 468.229 6.669 50 10 JKGE C[C@H]1C[C@@H]([C@@H](Br)c2ccc(OCc3ccccc3)cc2Br)C[C@@H](C)O1 2314456335 WKQZBZANZOITKC-PWAOUJBFSA-N 468.229 6.668 50 10 JKGE CC1=C(C#N)C(=O)N(C[C@@H]2CCCO2)C(=O)C1=Cc1ccc(OCc2ccc(Cl)cc2Cl)cc1 2314618537 PFTROVWLBZRPGU-NRFANRHFSA-N 497.378 5.344 50 10 JKGE CCCOc1ccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)C=Cc4ccc(Cl)cc4)ccc32)cc1 2314634141 QUTKIQNCCBNSIQ-HHHXNRCGSA-N 486.955 5.966 50 10 JKGE COc1cc(C=C(C#N)c2ccc(Cl)cc2)ccc1OC(=O)Cc1cccc2ccccc12 2314720438 OPKMOOUXFUPHKY-UHFFFAOYSA-N 453.925 6.714 50 10 JKGE Cc1cc(Br)c([C@H](Cl)c2cnsc2Br)c(C)c1Br 2315620394 VPTOXQUQZQVTQV-LLVKDONJSA-N 474.443 6.376 50 10 JKGE Fc1ccc(Oc2cc(Br)cc(I)c2)c(CBr)c1 2316760096 QMDNYZKCQSPMFQ-UHFFFAOYSA-N 485.916 5.880 50 10 JKGE CCc1cccc(CC)c1NC=C(C#N)C(=O)N1CCN(C(c2ccccc2)c2ccccc2)CC1 2324599297 PQXFKZUYBFXHPX-UHFFFAOYSA-N 478.640 5.565 50 10 JKGE Cc1cc(OCC(O)=C(C#N)c2nc(-c3ccc4c(c3)OCCO4)cs2)cc(C)c1Cl 2331331287 ZZDXEBQDYFQTQY-UHFFFAOYSA-N 454.935 5.723 50 10 JKGE CC[C@H](C)[C@H](C(O)=C(C#N)c1nc(-c2ccc(F)cc2)cs1)N1C(=O)c2ccccc2C1=O 2331344411 LFBBLLMJLNCFND-LHSJRXKWSA-N 461.518 5.453 50 10 JKGE CCOc1ccc(OCC)c(-c2csc(C(C#N)=C(O)c3cc4ccccc4oc3=O)n2)c1 2331376727 NEDOLYGBPHKEDO-UHFFFAOYSA-N 460.511 5.664 50 10 JKGE CCOc1cc(C=C(C#N)c2nc(-c3ccc(Cl)s3)cs2)ccc1OCc1ccccc1C 2331485039 LEODZQHXHRFWJP-UHFFFAOYSA-N 493.053 7.875 50 10 JKGE Fc1c(Br)cc(Cl)c([C@H](Br)[C@@H]2C[C@H]3CC[C@@H]2O3)c1Br 2337105147 UTKRFRJDYFTBRY-GMVJNNPSSA-N 477.393 6.008 50 10 JKGE Brc1sncc1[C@@H](Br)c1ccc(Br)c2ccccc12 2337312321 WSHHDFKMZWMZCK-ZDUSSCGKSA-N 462.004 6.306 50 10 JKGE Brc1ccc(CN2C[C@H]3CC(Br)C[C@@H](C3)C2)c(Br)c1 2338878197 FTCAHKQRUFYXIB-GHMZBOCLSA-N 452.028 5.207 50 10 JKGE CC[C@@H]1OCC[C@H]1[C@H](Br)c1c(C)cc(Br)c(F)c1Br 2339644960 CZGRYDUBMJBARS-QRTLGDNMSA-N 458.991 5.910 50 10 JKGE CO[C@]1(C(F)F)C[C@H]([C@H](Br)c2ccc(OCc3ccccc3)cc2Br)C1 2343011481 DDUDXRJCHNDZOV-ADLFWFRXSA-N 490.182 6.524 50 10 JKGE Fc1c(Br)cc(Cl)c([C@H](Br)C2CC3(C2)CC3(F)F)c1Br 2362224245 KRDKNLGCYWUEIL-UNXPPYCYSA-N 497.374 6.876 50 10 JKGE CN(Cc1ccc(Cl)c(I)c1)[C@H](CBr)c1ccccc1 2362369513 YHHCPDCPIACDMV-MRXNPFEDSA-N 464.572 5.513 50 10 JKGE CC(C)(C)OC(=O)N1CCC(CBr)(OCc2cc(F)ccc2C(F)F)CC1 2363552132 NDTNXNIVFZTDQB-UHFFFAOYSA-N 452.311 5.445 50 10 JKGE COc1c(Br)cc(C)c([C@@H](Br)[C@@H]2C[C@H]2C(C)(F)F)c1Br 2365214569 BPYCFBHOWAHEST-XLDPMVHQSA-N 476.981 6.256 50 10 JKGE COC1CC(CC[C@H](Br)c2c(C)cc(Br)c(F)c2Br)C1 2365224369 XOZPKXVCDYJGFU-ILDUYXDCSA-N 473.018 6.300 50 10 JKGE COc1cc(Cl)c(CBr)c(N(C)[C@H]2CN(Cc3ccccc3)C(C)(C)C2)c1 2365806400 WABJEGPJXBQINE-QGZVFWFLSA-N 451.836 5.733 50 10 JKGE ClCc1c(OCc2cc(I)ccc2Br)nc2sccn12 2367519855 NJINIDRRPDLODH-UHFFFAOYSA-N 483.556 5.081 50 10 JKGE C[C@@H](Br)CN(C(=O)c1cc(Br)ccc1Br)C1CCCC1 2368847414 OETQODCBOOIYIZ-SNVBAGLBSA-N 468.027 5.380 50 10 JKGE CC(C)(C)OC(=O)Nc1cccc([S@@](C)(=O)=NC[C@@](C)(CBr)C(C)(C)C)c1 2380169109 QUMWWKJODNYAQI-NFQMXDRXSA-N 461.466 5.938 50 10 JKGE O=C(COc1c(Cl)cc(Cl)cc1Br)NNC(=O)c1ccc(-c2ccccc2)cc1 9779616 GFXFUJFDUFFRPF-UHFFFAOYSA-N 494.172 5.263 50 10 JKGE Cc1cc(Br)cc(Br)c1OCC(=O)N/N=C/c1cccc2ccccc12 12482996 QRVSDXIWJUQJPN-FOKLQQMPSA-N 476.168 5.202 50 10 JKGE CC[C@@H](Oc1ccc(-c2ccccc2)cc1)C(=O)NNC(=O)COc1ccc(-c2ccccc2)cc1 14768838 XGDACGHHOBRYJR-MUUNZHRXSA-N 480.564 5.404 50 10 JKGE CC[C@@H](C)c1ccc(OCC(=O)NNC(=O)C(c2ccccc2)c2ccccc2)c(Br)c1 14832240 OLNGNJPCCDFYDZ-GOSISDBHSA-N 495.417 5.321 50 10 JKGE Cc1ccc(N2C(=O)[C@@H](Cc3ccccc3Cl)S/C2=C(\C#N)C(=O)Nc2ccccc2)cc1 16739838 WIYKRNRJDWWRGI-QPSWJSTDSA-N 473.985 5.713 50 10 JKGE N#C/C(=C\c1ccccc1OCC(=O)Nc1ccccc1)C(=O)Nc1cc(Cl)cc(Cl)c1 35519823 SAVVZSLKDGGSEP-LICLKQGHSA-N 466.324 5.557 50 10 JKGE CCCCCCOc1ccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4ccccc4)ccc32)cc1OC 38681924 VVLFKCNTUHLWMS-NDEPHWFRSA-N 498.579 6.092 50 10 JKGE CCCOc1cccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4ccccc4OCC)ccc32)c1 38684496 PRSZYSCXZWWTGF-SANMLTNESA-N 470.525 5.311 50 10 JKGE CCCCC1CCC(C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@@H]3c2ccc(C(=O)OC)cc2)CC1 38700934 AQBGNCBRQYXLQR-GJEQZTTHSA-N 488.584 5.593 50 10 JKGE N#C/C(=C/c1c(Oc2ccc(Cl)cc2Cl)nc2ccccn2c1=O)C(=O)Nc1ccc(F)cc1 39858841 GOZMIFMTKXWQOP-KAMYIIQDSA-N 495.297 5.478 50 10 JKGE COc1ccc(NC(=S)NNC(=O)c2ccc(-c3ccc(Cl)c(C(F)(F)F)c3)o2)cc1 39892595 DOGRHBJHMAUHQW-UHFFFAOYSA-N 469.872 5.259 50 10 JKGE Cc1c(C(=O)Nc2cccc(Cl)c2Cl)oc2c1/C(=N/NC(=O)c1ccc(Cl)cc1)CCC2 40811670 VISPXOFBISSKSZ-LQKURTRISA-N 490.774 6.271 50 10 JKGE COc1ccc(Cl)cc1NC(=O)c1oc2c(c1C)/C(=N/NC(=O)c1cccs1)CCC2 40823655 WAJZHJDAOCQPNK-AFUMVMLFSA-N 457.939 5.034 50 10 JKGE O=C(N/N=C(/CSc1nc2ccccc2[nH]1)c1ccc2ccccc2c1)c1ccccc1Cl 59460717 HBBNZRJFVPENEP-KRUMMXJUSA-N 470.985 6.296 50 10 JKGE CCOC(=O)c1c(C)[nH]c(C(=O)/C(C#N)=C\c2cc(C)n(-c3cccc(C(F)(F)F)c3)c2C)c1C 96669482 OXBFFTAFZGJIJV-ODLFYWEKSA-N 483.490 6.024 50 10 JKGE C=CCOc1ccc(-c2nn(-c3ccccc3)cc2/C=C(/C#N)C(=O)NC2CCCCC2)cc1C 102859678 YBGLICADSBKVQE-NKFKGCMQSA-N 466.585 5.768 50 10 JKGE Cl[C@H](c1cc2c(cc1Br)OCCCO2)c1ccccc1I 109821469 YTCITSBBHFAONW-INIZCTEOSA-N 479.539 5.543 50 10 JKGE CCOc1ccc(Br)cc1[C@@H](Br)c1ccc(Br)cc1Cl 109871644 QXINGAPEYXCKFN-HNNXBMFYSA-N 483.425 6.748 50 10 JKGE Fc1c([C@@H](Br)c2cc(Br)c(Br)s2)cccc1C(F)(F)F 128289899 UDCYBIYEGCWWFO-SECBINFHSA-N 496.943 6.915 50 10 JKGE COc1cc(/C=C(/C#N)c2ccccc2)ccc1OC(=O)COc1ccc(C)cc1C(C)(C)C 164892924 RJIZFJZUPJXCGQ-KQWNVCNZSA-N 455.554 6.350 50 10 JKGE CCOc1cc(/C=C(/C#N)C(=O)NCc2ccco2)ccc1OC(=O)c1cccc2ccccc12 206964153 SBHRLFMAUMWXRN-QNGOZBTKSA-N 466.493 5.274 50 10 JKGE CCCCCOc1ccc(/C=C2\C(=O)N(CCc3ccc(OC)cc3)C(=O)C(C#N)=C2C)cc1 214403801 RSKJHLPTCJIPPX-BWAHOGKJSA-N 458.558 5.099 50 10 JKGE Clc1ccc([C@@H](Br)c2ccc(I)c(Cl)c2)cc1Cl 232343385 RPJNBVHGLBAUOL-CYBMUJFWSA-N 476.366 6.736 50 10 JKGE C=CCn1c(COc2ccc(Cl)cc2)nnc1SCC(=O)NN=Cc1ccc2ccccc2c1 252629212 UBEBATPBPINIDM-UHFFFAOYSA-N 492.004 5.092 50 10 JKGE Cc1ccc(-n2c(SCC(=O)NN=Cc3ccco3)nnc2-c2ccc(C(C)(C)C)cc2)cc1 254770348 AIBNEBAQSQLTPF-UHFFFAOYSA-N 473.602 5.376 50 10 JKGE O=C(Cc1cccc2ccccc12)NN=Cc1cn(-c2cccc3ccccc23)nc1-c1ccccc1 254824158 XQKQVUSACLBNNQ-UHFFFAOYSA-N 480.571 6.539 50 10 JKGE C[C@@H]1CCC[C@H](COc2c(Br)cc(CBr)cc2Br)C1 311448685 IQBXOSZQPVBPTD-MNOVXSKESA-N 455.028 6.312 50 10 JKGE CCOc1ccc([C@H](Br)c2nscc2Br)c(Br)c1 404804843 MRROUJYAEAIXBD-NSHDSACASA-N 455.997 5.551 50 10 JKGE 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 503903109 AAEWZCYGFQHOQA-IIKMKBEISA-N 477.173 8.855 50 10 JKGE Cc1cc(Br)c([C@H](Br)c2c(Cl)cnn2C)cc1Br 696422249 KHGBXLBMVVGAGX-NSHDSACASA-N 457.391 5.391 50 10 JKGE CN(Cc1ccccc1)C1(Cn2c(CCl)nc3ccc(F)c(Br)c32)CCC1 701656880 MRDGGPSCFRLSPN-UHFFFAOYSA-N 450.783 5.731 50 10 JKGE Cc1c(Cl)ccc2nc([C@H](C)Cl)n(CC3(N(Cc4ccccc4)Cc4ccccc4)COC3)c12 705604342 LETQGPVMVMFRLY-NRFANRHFSA-N 494.466 6.769 50 10 JKGE Cl[C@@H](c1ccc(C2CC2)s1)c1cc(I)ccc1Br 707966177 NTJJATRFXCENCF-CQSZACIVSA-N 453.570 6.321 50 10 JKGE Cc1cc(COc2c(Br)cc(CBr)cc2Br)c(C)nn1 720558119 JGUIFZWBCYXYHQ-UHFFFAOYSA-N 464.983 5.092 50 10 JKGE COc1ccc([C@@H](Br)c2sc(C)c(Br)c2C)cc1Br 724914413 KXHNTNFTRATQBI-CYBMUJFWSA-N 469.036 6.383 50 10 JKGE COc1cc(C=NNC(=O)c2cccc(Br)c2)ccc1OCc1ccccc1Cl 1084029934 ABDICXZDZXORET-UHFFFAOYSA-N 473.754 5.454 50 10 JKGE CCOc1ccccc1NC(=O)NN=Cc1cc(Br)c(Sc2ccc(Cl)cc2)o1 1084057883 ISYIMBUMIPVBOA-UHFFFAOYSA-N 494.798 6.401 50 10 JKGE O=C(COc1ccc2cc(Br)ccc2c1Br)NN=Cc1cccc(Cl)c1 1084243928 XBPLHFKDHQRXFM-UHFFFAOYSA-N 496.586 5.547 50 10 JKGE Cc1ccc(-n2c(C)cc(C=NNC(=O)C(=O)Nc3ccc(Oc4ccccc4)cc3)c2C)c(C)c1 1084338298 AACONFYDIYMNNY-UHFFFAOYSA-N 480.568 5.592 50 10 JKGE CCOc1cc(C=NNC(=O)c2ccc(C(C)(C)C)cc2)ccc1OCc1ccc(Cl)cc1 1084538473 TYVSXFMCASNTSJ-UHFFFAOYSA-N 464.993 6.379 50 10 JKGE Cc1c(C(=O)NNC(=O)c2ccccc2Cl)oc2c1C(=NNc1ccccc1)CC(C)(C)C2 1772729495 QQIKETAWOGBJMF-UHFFFAOYSA-N 464.953 5.105 50 10 JKGE Cc1c(C(=O)Nc2ccc(Cl)cc2Cl)oc2c1C(=NNC(=O)c1ccccc1Cl)CCC2 1772743613 DGNKBCFSNGWUJG-UHFFFAOYSA-N 490.774 6.271 50 10 JKGE COc1cc(C=NNC(=O)COc2cc(Cl)ccc2Cl)ccc1OCc1ccccc1Cl 1772752840 LEFXTJXXFJEXJS-UHFFFAOYSA-N 493.774 5.764 50 10 JKGE COc1ccc(C=NNC(=O)COc2ccc(Br)cc2C(C)(C)C)cc1Br 1772754042 IOAICSYJTQGQHA-UHFFFAOYSA-N 498.215 5.047 50 10 JKGE N#CSc1ccc(NC(=O)Oc2cccc3c(NC(=O)/C=C/c4cccc(F)c4)cccc23)cc1 1858779172 OLTLMOOJTRQLJV-XNTDXEJSSA-N 483.524 6.815 50 10 JKGE Cc1ccc(NC(=O)COc2cccnc2NC(=O)Nc2ccc(SC#N)cc2)cc1Cl 1858834172 VWFPWKSNNPPFMR-UHFFFAOYSA-N 467.938 5.278 50 10 JKGE CCOc1cccc([C@@H]2C(C#N)=C(N)Oc3c2c(-c2ccccc2)nn3Cc2ccccc2Cl)c1 1865690511 TURRHVSIARYPJV-XMMPIXPASA-N 482.971 5.869 50 10 JKGE CCCOc1c(OC)cccc1[C@H]1C(C#N)=C(N)Oc2c1c(CC)nn2Cc1ccccc1Cl 1865693739 QTANCFLDXLFZJM-QFIPXVFZSA-N 478.980 5.163 50 10 JKGE N#CC1=C(N)Oc2c(c(C(F)(F)F)nn2-c2ccc(Cl)cc2)[C@@H]1c1ccc(F)cc1F 1865702235 QDJZUILALJZWKP-OAHLLOKOSA-N 452.770 5.041 50 10 JKGE COc1cc([C@@H]2C(C#N)=C(N)Oc3c2c(C(F)(F)F)nn3-c2ccccc2Cl)cc(Cl)c1O 1865706943 JLRNINMGTVNQNH-OAHLLOKOSA-N 497.260 5.130 50 10 JKGE N#CC1=C(N)Oc2c(c(-c3ccccc3)nn2Cc2ccc(Cl)cc2)[C@@H]1c1ccccc1O 1865708252 RNUUWMWQDORETF-JOCHJYFZSA-N 454.917 5.176 50 10 JKGE N#CC1=C(N)Oc2c(c(-c3ccccc3)nn2-c2ccc(Br)cc2)[C@@H]1c1cccc(F)c1 1865710523 AOGZEJSVSKPSJY-OAQYLSRUSA-N 487.332 5.659 50 10 JKGE CCCOc1ccc(/C=N\NC(=O)c2ccc(-c3ccc(Cl)cc3Cl)nc2C)cc1OC 1865760530 BWANMYCLOAZJDZ-VYYCAZPPSA-N 472.372 5.925 50 10 JKGE CCC[C@@H](NC(=O)[C@@H](c1ccc(Cl)c(Cl)c1)C(C)C)C(=O)Nc1ccc(SC#N)cc1 1866991498 NHJAOUBGBZANIT-NHCUHLMSSA-N 478.445 6.230 50 10 JKGE N#CSc1ccc(NC(=O)[C@H](NC(=O)[C@@H](c2ccc(Cl)cc2)C2CC2)c2ccccc2)cc1 1866999758 BGJJRIVUTDRNGJ-DNQXCXABSA-N 476.001 5.903 50 10 JKGE COc1cccc(/C=C(\C#N)c2nc(O)c3ccccc3n2)c1OCc1c(F)cccc1Cl 1872727006 XXIAPTFDHGWPJF-FOWTUZBSSA-N 461.880 5.780 50 10 JKGE CCn1c(/C(C#N)=C/c2cc(Br)cc(Br)c2OC)nc2ccccc21 1872730963 OICGYEDZZPGUNO-MDWZMJQESA-N 461.157 5.654 50 10 JKGE CCc1cccc(C)c1N1C[C@H](/C(O)=C(\C#N)c2nc(-c3cccc(OC)c3)cs2)CC1=O 1872744109 HDQBEXNSJSYQFT-FPOCJBQTSA-N 459.571 5.535 50 10 JKGE CC[C@H](C)[C@@H](/C(O)=C(\C#N)c1nc(-c2ccc(OC)c(C)c2)cs1)N1C(=O)c2ccccc2C1=O 1872746642 QVJMXVQHKOLIRD-UCMOXVNCSA-N 487.581 5.631 50 10 JKGE COc1c(Cl)cc(-c2csc(/C(C#N)=C(\O)c3ccc(Cl)cc3[N+](=O)[O-])n2)cc1Cl 1872755906 LLZIBFBMMOLBEU-ATVHPVEESA-N 482.732 6.637 50 10 JKGE COc1cccc(/C=C(\C#N)c2nc(-c3ccc([N+](=O)[O-])cc3)cs2)c1OCc1cccc(C)c1 1872784355 MGGZFFMLOXETSN-HYARGMPZSA-N 483.549 6.679 50 10 JKGE CCOc1cc(/C=C(\C#N)c2nc(-c3cc(Cl)ccc3OC)cs2)cc(Br)c1O 1872794938 FEDHUPXNRKXHKP-AWNIVKPZSA-N 491.794 6.403 50 10 JKGE CC1(C)CC[C@H]([C@@H](CBr)NC(=O)OC(C)(C)C)[C@H](CNC(=O)OC(C)(C)C)C1 1885098084 WGYJYGPRADOWPY-HRCADAONSA-N 463.457 5.242 50 10 JKGE COc1cc(OC)cc([C@@H](Br)c2sc(Br)c(C)c2Br)c1 1922882769 HUYSGEPGIHKVEE-GFCCVEGCSA-N 485.035 6.083 50 10 JKGE Brc1cc(Br)c([C@@H](Br)[C@@H]2CCOc3ccccc32)s1 1922955039 VNAYPTXWZNHPAH-RNCFNFMXSA-N 467.020 6.275 50 10 JKGE C[C@@H]1CCO[C@H]1[C@@H](Br)c1c(Br)sc(Br)c1Cl 1923068941 ZFGZLGKVDLJCEC-GZDOIFTASA-N 453.421 5.788 50 10 JKGE CC[C@H](C[C@H](Cl)c1c(Br)sc(Br)c1Br)C(C)(C)C 1924614308 XMNWTYZPKYTWBP-SFYZADRCSA-N 481.519 7.778 50 10 JKGE Cl[C@@H](Cc1ncccc1Br)c1cc(Br)ccc1Br 1924861702 OEGFTPXDZLZWNA-LBPRGKRZSA-N 454.387 5.892 50 10 JKGE Clc1sc(Br)c(Cl)c1[C@@H](Br)[C@H]1CCOc2ccccc21 1925597502 FHCOBWILZWMMLN-KWQFWETISA-N 457.014 6.820 50 10 JKGE CCC(CC)C[C@@H](Cl)c1c(Br)sc(Br)c1Br 1926353974 HZEVNRMPWFWXEZ-SSDOTTSWSA-N 453.465 7.142 50 10 JKGE Cc1nc([C@@H](Cl)c2sc(Br)c(C)c2Br)c(Br)s1 2003567059 AFHPTIRZAHGKGB-ZCFIWIBFSA-N 480.472 6.437 50 10 JKGE BrCc1ccc(Br)cc1N1C[C@@H]2[C@H](CCN2Cc2ccccc2)C1 2015070551 YSMBJDIFJMQKGU-YLJYHZDGSA-N 450.218 5.055 50 10 JKGE FC1(F)CC2(C[C@@H]2[C@H](Br)c2sc(Br)cc2Br)C1 2015435820 QNANLPCYMXGBSK-XRGYYRRGSA-N 450.968 6.145 50 10 JKGE Cc1nc([C@H](Br)c2ccc(F)c(Br)c2F)c(Br)s1 2050334874 NZHUAUYOPCQMTG-SSDOTTSWSA-N 461.951 5.739 50 10 JKGE Fc1c(Cl)cccc1C[C@@H](Br)c1scc(Br)c1Br 2050548021 AGIUBTMSYHYRNL-SSDOTTSWSA-N 477.418 6.744 50 10 JKGE Cc1c(Br)sc([C@H](Br)C2(C)CCCCCC2)c1Br 2052513521 UJJFGGPQPOLIDA-LBPRGKRZSA-N 459.085 7.378 50 10 JKGE CCN(c1cc(C)cc(Br)c1CBr)[C@H]1CCN(Cc2ccccc2)C1 2053219411 PLSDZTUUPCLKFU-SFHVURJKSA-N 466.261 5.753 50 10 JKGE O=S(=O)(c1ccc(Br)c(CBr)c1)N(Cc1ccccc1)C1CCCC1 2059388818 STTIFFUKDCYHKC-UHFFFAOYSA-N 487.257 5.478 50 10 JKGE C[C@H]1CCC[C@H]1CC(CBr)(CBr)c1cccc(Br)c1 2093455485 WHWVMUHFNLEQSN-STQMWFEESA-N 453.056 6.303 50 10 JKGE Clc1nc(N2CCC[C@]3(CCCN(Cc4ccccc4)C3)C2)sc1CBr 2107015467 RJBBOOXTWOWPTD-FQEVSTJZSA-N 454.865 5.574 50 10 JKGE C[C@@]1([C@@H](Cl)c2c(Br)sc(Br)c2Cl)CCCCC1(F)F 2111645927 GMVKOJYSBVAQMR-KWQFWETISA-N 457.005 7.422 50 10 JKGE Cc1cc(C)c([C@H](Br)c2cn(C)nc2Br)c(C)c1Br 2116555732 VVBZQBPVEUAKCC-CYBMUJFWSA-N 451.000 5.355 50 10 JKGE CC1(C)CC[C@H](Br)[C@@H](Cc2cc(Cl)ccc2I)CC1 2122940827 HHHRQUVXKYOPLX-RISCZKNCSA-N 455.605 6.467 50 10 JKGE Cc1nn(C)c(Br)c1[C@H](Br)c1cc(F)c(Br)cc1F 2129266238 VNRYULVGDXQUMM-LLVKDONJSA-N 458.926 5.016 50 10 JKGE CC(C)(C)OC(=O)N1CCC(CI)(OC[C@@H]2C[C@H]2c2ccccc2)CC1 2135980202 PNRGIRFNLIJARC-ROUUACIJSA-N 471.379 5.011 50 10 JKGE COc1cc(F)c([C@H](Br)c2cccc(Br)c2)cc1Br 2138159979 KDPHXSOLGBJGCF-CQSZACIVSA-N 452.943 5.844 50 10 JKGE COc1cc(Br)c(C)cc1[C@H](Br)c1cccc(C)c1Br 2145962149 LIYHISFXGHERAX-MRXNPFEDSA-N 463.007 6.321 50 10 JKGE Clc1c(Br)cccc1[C@H](Br)c1cc(Br)c2c(c1)CCO2 2146628305 NKQHDPZFALEWKN-CYBMUJFWSA-N 481.409 6.284 50 10 JKGE CCCOc1ccc([C@H](Br)c2scc(Cl)c2Cl)cc1Br 2152523607 OYXLAULRFHCTCT-LBPRGKRZSA-N 459.030 7.091 50 10 JKGE Cc1cc(Br)c([C@H](Br)c2ccsc2C(F)(F)F)cc1Br 2157643185 AISAAHNEVUWNFT-LLVKDONJSA-N 492.980 7.085 50 10 JKGE COc1cc(C)c([C@H](Br)c2c(Br)nn(C)c2C)cc1Br 2198735402 RXZBXCRLPAZDFS-ZDUSSCGKSA-N 466.999 5.055 50 10 JKGE COc1ccc([C@@H](Br)c2ccc(Br)c(C)c2Br)cc1Cl 2203703154 HTURLJYBTSQTAK-OAHLLOKOSA-N 483.425 6.666 50 10 JKGE BrCc1c(Br)cccc1OC[C@@H]1CC1(Br)Br 2210243361 ABGOFTSEBFNVQH-ZETCQYMHSA-N 477.816 5.229 50 10 JKGE Cc1sc(Br)c(C)c1[C@@H](Br)c1cc(Br)ccc1Cl 2218801202 RWAXVWBDFXBFCH-LBPRGKRZSA-N 473.455 7.028 50 10 JKGE Cc1sc([C@H](Br)c2sc(Br)c(C)c2Br)c(C)c1C 2221244361 CEDHPZKFXZJVCP-JTQLQIEISA-N 473.093 7.053 50 10 JKGE C[C@@H](Cl)c1nc2ccc(Br)cc2n1C[C@@H]1CC1(Br)Br 2224806627 QSYKQAOCYOWXJV-SFYZADRCSA-N 471.418 5.605 50 10 JKGE Cc1cc(Br)c([C@@H](Br)C2CC3(CCC3)C2)c(C)c1Br 2227360376 RMCBIRYXPFEYKJ-HNNXBMFYSA-N 451.040 6.845 50 10 JKGE Cc1nsc(Br)c1[C@H](Br)c1c(F)cc(F)c(Br)c1F 2227810376 VHSRRDBNXBZKAZ-VIFPVBQESA-N 479.941 5.878 50 10 JKGE C[C@@H]1O[C@H](C)[C@H]([C@@H](Br)c2c(Br)cc(Cl)c(Cl)c2Cl)[C@@H]1C 2232508738 AQEOOUTZOYTKQG-GJZAECLPSA-N 465.440 6.905 50 10 JKGE Clc1cc(Br)c([C@@H](Cl)Cc2cc(Br)cc(Br)c2)s1 2263452238 IOYOMFJRSINVGQ-JTQLQIEISA-N 493.873 7.212 50 10 JKGE COc1cc(Cl)c(Cl)cc1[C@H](Cl)c1csc(Br)c1Br 2264369353 WFBPAYBYRQAVKS-NSHDSACASA-N 465.421 6.917 50 10 JKGE Fc1cc([C@@H](Cl)c2c(Cl)sc(Br)c2Cl)c(Cl)cc1Br 2267762526 HJQMXLGNBAPGIY-MRVPVSSYSA-N 487.830 7.701 50 10 JKGE Cc1c(F)ccc([C@H](Br)c2ccc(Cl)c(I)c2)c1F 2268283948 KZKMXHZNIPQZBP-CYBMUJFWSA-N 457.483 6.016 50 10 JKGE COc1cc([C@@H](Br)c2cocc2Br)c(OC)cc1Br 2270484616 QXPXQYPLTQSMAH-CYBMUJFWSA-N 454.940 5.306 50 10 JKGE CO[C@H]1C[C@@H](C[C@H](Br)c2c(F)cc(Br)c(F)c2Br)C1 2272733558 MIVOXLMVFFMMTK-RNJXMRFFSA-N 462.954 5.741 50 10 JKGE FC1CC2(C1)CC([C@@H](Br)Cc1cc(Br)cc(Br)c1)C2 2277957228 WTYHMRIAEUNMMZ-RCNMZAFISA-N 455.003 6.046 50 10 JKGE COc1cc(F)c(F)cc1[C@@H](Br)c1c(F)cccc1I 2282897481 UBLHUNWWJHEWIC-CQSZACIVSA-N 457.027 5.201 50 10 JKGE COc1ccc([C@H](Br)[C@@H]2CC3(CCCC3)CO2)cc1I 2284998474 RIXWUOOLMQEDQI-GJZGRUSLSA-N 451.142 5.085 50 10 JKGE Cc1cc(Br)c([C@H](Br)[C@@H]2CCC[C@H]2C(F)F)c(C)c1Br 2285685833 XOMOIBPWVIEAOG-GPCCPHFNSA-N 475.009 6.946 50 10 JKGE Cc1ccc([C@H](Br)c2cc(Br)c(F)cc2Cl)c(C)c1Br 2285946899 YZBULUOEWXKWJO-HNNXBMFYSA-N 485.416 7.105 50 10 JKGE Fc1cccc(Br)c1COc1c(F)cc(Br)cc1CBr 2289573497 IPHWPFKQPMPJKI-UHFFFAOYSA-N 470.933 5.964 50 10 JKGE CSCC1(CC(CBr)(CBr)c2ccccc2Br)CCC1 2289811817 KJEOEVCSKALRQY-UHFFFAOYSA-N 485.123 6.400 50 10 JKGE Cc1ccc(Cl)cc1NC(=O)C(C#N)=Cc1cn(Cc2cccc3ccccc23)c2ccccc12 2294168555 RSJIIOOJDKSIHD-UHFFFAOYSA-N 475.979 7.350 50 10 JKGE O=C(C=Cc1cc(Br)ccc1OCc1ccccc1Cl)Oc1ccc([N+](=O)[O-])cc1 2294609554 CEMZPEJKCZQJCZ-UHFFFAOYSA-N 488.721 6.209 50 10 JKGE COc1ccc(C=C(C#N)C(=O)Nc2ccc3c(c2)OCO3)cc1OCc1cccc(C(F)(F)F)c1 2295672284 IVVNWDLNWGDJSQ-UHFFFAOYSA-N 496.441 5.567 50 10 JKGE CCCSC=C(NC(=O)c1ccccc1)[P+](c1ccccc1)(c1ccccc1)c1ccccc1 2297312563 ZJIYIMCXCCWQDE-UHFFFAOYSA-O 482.609 6.353 50 10 JKGE CO[C@@H]1CC[C@@H]([C@H](Br)c2cc(Br)ccc2OCc2ccccc2)C1 2299489775 SHGCIKLLUAHWEB-MDYRTPRTSA-N 454.202 6.279 50 10 JKGE Cc1cc(-n2c(C)cc(C=C(C#N)C(=O)NCc3cccs3)c2C)cc(C)c1Br 2313540854 XUKSYNSOAKTXGR-UHFFFAOYSA-N 468.420 5.758 50 10 JKGE CN(C)C(=O)C(C#N)=Cc1cc(Cl)c(OCc2ccc(Br)cc2)c(Br)c1 2313566952 FEORPGAGGBBXNA-UHFFFAOYSA-N 498.602 5.439 50 10 JKGE COC(=O)c1cccc(Cn2cc(C=C(C#N)C(=O)Nc3ccccc3Cl)c3ccccc32)c1 2313631594 SGRIKTHBAAOBCK-UHFFFAOYSA-N 469.928 5.675 50 10 JKGE CC1=C(C#N)C(=O)N([C@H](C)c2ccccc2)C(=O)C1=Cc1ccc(OCc2ccccc2Cl)cc1 2314618600 QEOPEVDNKDVHJN-HXUWFJFHSA-N 482.967 6.272 50 10 JKGE CCOc1cc(C=C(C#N)C(=O)NCc2ccco2)ccc1OC(=O)COc1ccccc1C(C)C 2314760618 QVHQUQPWMBOYML-UHFFFAOYSA-N 488.540 5.009 50 10 JKGE CCC[C@@H]1C[C@H]1[C@@H](Br)c1c(Cl)cc(Br)c(F)c1Br 2315447845 SPHXJHFHLNLGCG-OPVBNTEQSA-N 463.410 6.876 50 10 JKGE CC1(C)[C@H]2CC[C@@H](C2)[C@@H]1[C@H](Br)c1sc(Cl)cc1I 2316773806 BPBPEIUHSIWTNT-MMSPYSMKSA-N 459.618 6.514 50 10 JKGE CCOc1ccc(C=NNC(=O)c2ccc3nc(-c4ccccc4Cl)[nH]c3c2)cc1Cl 2323744182 FCFVMIZBQZACID-UHFFFAOYSA-N 453.329 5.699 50 10 JKGE N#CC(=CNc1cc(Cl)cc(Cl)c1)C(=O)N1CCN(C(c2ccccc2)c2ccccc2)CC1 2324608318 OGRDUZOPXFQXTF-UHFFFAOYSA-N 491.422 5.747 50 10 JKGE COc1c(Cl)cc(Cl)cc1-c1csc(C(C#N)=C(O)CCCOc2ccccc2)n1 2331362711 NFCVQSGVWBJWMC-UHFFFAOYSA-N 461.370 6.777 50 10 JKGE COc1cc(C)c(-c2csc(C(C#N)=C(O)C(c3ccccc3)c3ccccc3)n2)cc1C 2331402597 UFCLFPRJDQIMES-UHFFFAOYSA-N 452.579 7.060 50 10 JKGE COc1cccc(-c2csc(C(C#N)=Cc3ccc(OCCCc4ccccc4)c(OC)c3)n2)c1 2331421254 BVCBXHGYITUMQQ-UHFFFAOYSA-N 482.605 6.903 50 10 JKGE COc1cc(C=C(C#N)c2nc(-c3ccccc3OC)cs2)ccc1OCc1ccc(C)cc1 2331434773 XSQDZTSGFJFEDF-UHFFFAOYSA-N 468.578 6.779 50 10 JKGE COc1cc(C=C(C#N)c2nc(-c3ccc(OC)c(OC)c3OC)cs2)ccc1OC(C)C 2331492634 BKLNITJPGZBTJT-UHFFFAOYSA-N 466.559 5.696 50 10 JKGE CCc1nn(C)c([C@@H](Br)c2cc(Br)ccc2OCc2ccccc2)c1Cl 2336043143 CRHVKEVMHYGJLY-SFHVURJKSA-N 498.646 6.462 50 10 JKGE Fc1c(Br)cc(Cl)c([C@H](Br)C[C@@H]2CC[C@H]3C[C@@H]32)c1Br 2337081628 ABDMEUPXMVVBSR-XSPKLOCKSA-N 475.421 6.876 50 10 JKGE Fc1c(Br)cc(Cl)c([C@H](Br)[C@H]2C[C@@H]3CC[C@H]2O3)c1Br 2337083106 UTKRFRJDYFTBRY-IMBOEEOKSA-N 477.393 6.008 50 10 JKGE Clc1ccc(C[C@]2(CBr)CCC=CCCC2)cc1I 2337222612 BMKYKNGVMKPGNQ-INIZCTEOSA-N 453.589 6.389 50 10 JKGE Clc1ccc(CN2CC3(CC[C@H]2CBr)CC3)cc1I 2337224771 DIYZBIAHEYRUGW-LBPRGKRZSA-N 454.577 5.084 50 10 JKGE FC1(F)[C@H]2C[C@](CBr)(Cc3ccc(Cl)c(I)c3)C[C@H]21 2337226883 DTPKGZWFTMRYAJ-IWIIMEHWSA-N 461.515 5.544 50 10 JKGE COc1c(Br)cc(C)c([C@@H](Br)[C@@]2(C)CCCO2)c1Br 2339638578 CFXPSIAYWPKZKC-ZIAGYGMSSA-N 457.000 5.534 50 10 JKGE COc1ccc([C@H](Br)c2ccc(Cl)cc2I)cc1F 2340064909 SCOWKYXITWQGBT-AWEZNQCLSA-N 455.492 5.577 50 10 JKGE Fc1cc(Cl)c(Br)cc1[C@@H](Cl)c1ccc(Cl)cc1I 2340065809 WUKSRBDXPLVKPE-ZDUSSCGKSA-N 494.356 6.828 50 10 JKGE Cc1c(Br)ccc([C@@H](Br)C23CC(C[C@@H](C)O2)C3)c1Br 2342245407 XNQLEBLCEDPLCG-LDUJXFETSA-N 453.012 5.914 50 10 JKGE Cl[C@@H]1CCCCCCC[C@H]1Cc1ccc(I)c(Br)c1 2349778397 KRVWVQSLTZEWCB-DZGCQCFKSA-N 455.605 6.564 50 10 JKGE BrC[C@H]1CN(Cc2ccc(I)c(Br)c2)CC12CCC2 2349858399 QZODDVXBGADVNB-LBPRGKRZSA-N 499.028 5.051 50 10 JKGE Clc1ccc(I)cc1COC1(CBr)CCCCCC1 2352253243 HTNXXFXWZYTHEY-UHFFFAOYSA-N 457.577 5.949 50 10 JKGE Clc1ccc(I)cc1CO[C@H](CBr)c1ccccc1 2352253839 PPCIZEVZDSMJIF-OAHLLOKOSA-N 451.529 5.597 50 10 JKGE Fc1cc(Cl)c(Br)c(Cl)c1[C@H](Cl)c1cc(Cl)cc(Br)c1 2360491705 HPTSMSQBGXFMQY-GFCCVEGCSA-N 481.801 7.639 50 10 JKGE CCCOc1cccc([C@H](Br)c2ccc(OCc3ccccc3)cc2Br)c1 2361195814 RVCPXOXUKVDVMK-QHCPKHFHSA-N 490.235 7.301 50 10 JKGE COC1(C(F)(F)F)CC([C@H](Cl)c2ccc(OCc3ccccc3)cc2Br)C1 2361215607 VCTUZFTUMNAJTM-WHDUELSGSA-N 463.721 6.666 50 10 JKGE Cc1ccccc1[C@H](CBr)OCc1cc(Br)cc(Br)c1 2362240400 PDXZLLQJJPVRSU-INIZCTEOSA-N 463.007 6.173 50 10 JKGE CCCN[C@H](c1c(C)cc(Br)c(OC)c1Br)[C@@H]1C[C@@H]1Br 2365176307 OLJVZKKQZFQBPO-BFVZDQMLSA-N 470.043 5.353 50 10 JKGE Cc1cc(Br)c(F)c(Br)c1[C@@H](Br)C1(C)CCCCCC1 2365225493 KBJSVVYTNHVONM-OAHLLOKOSA-N 471.046 7.456 50 10 JKGE Cn1nc(C(F)F)c(CBr)c1Oc1cc(I)ccc1Cl 2365321166 QUMHKZHFGYYCLC-UHFFFAOYSA-N 477.474 5.303 50 10 JKGE Fc1cccc(I)c1[C@H](Br)CCc1cc(Cl)cc(Cl)c1 2366904831 XMRMWPSWGZJJIN-GFCCVEGCSA-N 487.965 6.806 50 10 JKGE Clc1ccc(I)cc1C[C@@H]1CCc2ccccc2[C@@H]1Br 2380540903 CULHCMIXGNTCEF-YVEFUNNKSA-N 461.568 6.186 50 10 JKGE Cc1ccc(CCl)c(OCc2ccc(Br)cc2Br)c1Br 2381140623 NIFRBWWMMFWMLR-UHFFFAOYSA-N 483.425 6.600 50 10 JKGE COc1cc(/C=N/N(C(=O)c2ccc(C#N)cc2)c2nc3ccc(F)cc3s2)cc(OC)c1OC 9148800 OEJKZQJBVZRRER-CCVNUDIWSA-N 490.516 5.014 50 10 JKGE CCSc1sccc1[C@@H]1C(C#N)=C(N)N(c2ccc(Cl)c(Cl)c2)C2=C1C(=O)CCC2 9981375 GWVCKDNHCIOSQO-LJQANCHMSA-N 476.454 6.472 50 10 JKGE N#C/C(C(=O)Nc1cccc2ccccc12)=C1/C(=O)N(Cc2ccccc2Cl)c2ccccc21 12659140 MJBDXEPZGAAMJX-ROMGYVFFSA-N 463.924 5.956 50 10 JKGE N#C/C(C(=O)Nc1ccc(Cl)cc1)=C1\S[C@@H](Cc2ccc(F)cc2)C(=O)N1c1ccccc1 13618996 CKNBDFIZCZYIQZ-SCIJIFGBSA-N 477.948 5.544 50 10 JKGE Cc1cccc(C2(c3cccc(C)c3)C[C@@H]2C(=O)N/N=C/[C@H]2[C@@H](c3ccccc3)C2(Cl)Cl)c1 20075941 MZZOVQMBULGBAO-CFSWUTIASA-N 477.435 6.299 50 10 JKGE COc1cc(Br)cc(/C=N/NC(=O)c2cc(-c3ccccc3)nc3ccccc23)c1O 27520096 VHQRUSNOCVKLJS-VULFUBBASA-N 476.330 5.142 50 10 JKGE N#C/C(=C\c1ccc(-c2ccc(Br)cc2)o1)c1nc(-c2cccc3ccccc23)cs1 28357468 FPQLFJFRMNLJMG-XMHGGMMESA-N 483.390 8.050 50 10 JKGE Cc1cc(/C=C(/C#N)C(=O)NCc2cccs2)c(C)n1-c1ccc(N2CCCCC2)c([N+](=O)[O-])c1 33745529 QBPYXZXURJWMCR-STZFKDTASA-N 489.601 5.278 50 10 JKGE COc1cc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)Cc4ccccc4)ccc32)ccc1OCCC(C)C 38660415 XKYIUXZKZCZSQA-GDLZYMKVSA-N 498.579 5.486 50 10 JKGE CCOc1ccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4cccc(Cl)c4)ccc32)cc1OCC 38679358 OKESAPMNQMQPGB-RUZDIDTESA-N 490.943 5.575 50 10 JKGE Cc1cccc(C)c1OCC(=O)Oc1ccc2c(c1)OC(N)=C(C#N)[C@@H]2c1c(F)cccc1Cl 38680365 KXSXMNNJXUSPDL-HSZRJFAPSA-N 478.907 5.299 50 10 JKGE CCCCCOc1ccccc1[C@H]1C(C#N)=C(N)Oc2cc(OC(=O)c3ccc(F)cc3)ccc21 38686024 BRIPQWVNZPVOCF-AREMUKBSSA-N 472.516 5.832 50 10 JKGE N#CC1=C(N)Oc2cc(OC(=O)c3sc4ccccc4c3Cl)ccc2[C@@H]1c1ccccc1F 38687921 OWNBRHKXAGSDRR-NRFANRHFSA-N 476.916 6.131 50 10 JKGE Cc1nn(-c2ccccc2)c2c1/C(=N/NC(=O)c1ccc(Br)cc1)CC(C)(C)C2 39853273 YBZHGSKLIOQDRN-NCELDCMTSA-N 451.368 5.050 50 10 JKGE CCOc1cc(/C=C2/C(=O)N(CC(C)C)C(=O)C(C#N)=C2C)ccc1OCc1ccc(Cl)cc1 40514477 FVRUVZNIOHQFFN-WSDLNYQXSA-N 478.976 5.566 50 10 JKGE Cc1ccc2oc(C(=O)Oc3ccc4c(c3)OC(N)=C(C#N)[C@H]4c3ccc(C(C)(C)C)cc3)c(C)c2c1 40530297 RHOLJVQLYKVLHW-MHZLTWQESA-N 492.575 6.785 50 10 JKGE CCOc1ccc([C@@H](O)CCC(=O)N/N=C\c2cc(C)n(-c3cccc4ccccc34)c2C)cc1 58893412 XGKJZWTZSRVYLM-NQWDTQFISA-N 469.585 5.610 50 10 JKGE Cc1cc(/C=N/NC(=O)c2cc3cc(Br)ccc3o2)c(C)n1-c1ccc(C(C)C)cc1 59304661 RSDJKKXGSAQMHZ-MZJWZYIUSA-N 478.390 6.490 50 10 JKGE CCCCC1CCC(C(=O)Nc2ccc(C(=O)[C@H](Br)C(C)C)cc2OCC)CC1 71432809 DGTMNQPMZAEEHM-RWWKDMOOSA-N 466.460 6.623 50 10 JKGE C[C@@H](CBr)COc1c(Br)cc(Br)cc1Br 96869843 LHNKCZZJBOCMLX-LURJTMIESA-N 465.805 5.384 50 10 JKGE CNC(=O)/C(C#N)=C1\S[C@H](Cc2cccc(Cl)c2Cl)C(=O)N1c1ccc(C(C)C)cc1 101240550 GMFULBFTUGUREW-URPBSQGJSA-N 474.413 5.289 50 10 JKGE CCOc1ccc(N2C(=O)[C@@H](Cc3ccccc3C)S/C2=C(/C#N)C(=O)Nc2ccccc2)cc1 101244660 INMSMYOEPWRIRT-IEQIIXMPSA-N 483.593 5.459 50 10 JKGE CC[C@H](C)N1C(=O)C(C#N)=C(C)/C(=C\c2cn(-c3ccccc3)nc2-c2ccc(Cl)cc2)C1=O 101334156 QPEJXXBKOCYIFT-QIWJOQEQSA-N 470.960 5.583 50 10 JKGE CCOc1ccc(NC(=O)/C(C#N)=C/c2cn(-c3ccccc3)nc2-c2ccc(OCC)c(C)c2)cc1 102858504 HMDSRCBBJFGBHP-PTGBLXJZSA-N 492.579 6.191 50 10 JKGE CCOC(=O)c1c(NC(=O)/C(C#N)=C\c2ccc(-c3ccccc3[N+](=O)[O-])o2)sc2c1CCCC2 109030440 QWTMTERMFQTLFQ-SQFISAMPSA-N 491.525 5.517 50 10 JKGE O=C(N[C@@H](CBr)c1ccccc1)c1cc(Br)c(Br)s1 122280791 BVSCYNKPYWKNOF-JTQLQIEISA-N 468.008 5.139 50 10 JKGE Cc1cc(Br)c([C@@H](Br)C[C@@H]2C[C@@H]3CC[C@@H]2C3)cc1Br 128765499 IBVYNMLQTXXBNC-YMEQNVIZSA-N 451.040 6.782 50 10 JKGE Cc1cc(F)c([C@H](Br)c2cc(Br)c(Br)s2)cc1F 128881202 RIRKNIDSJTWDAI-NSHDSACASA-N 460.963 6.344 50 10 JKGE CCOc1ccc(Br)cc1[C@H](Br)c1cc(C)cc(Br)c1 131992404 CJMSLSBZCZATQR-MRXNPFEDSA-N 463.007 6.403 50 10 JKGE COc1cc([C@@H](Cl)c2ccc(Br)cc2Cl)c(OC)cc1Br 134290994 BBUOENMGPBYORH-HNNXBMFYSA-N 454.973 6.210 50 10 JKGE Brc1cc([C@H](Br)c2cc3sccc3s2)sc1Br 156482321 QCFUPMOYNHASHD-JTQLQIEISA-N 473.074 7.034 50 10 JKGE C=CCOc1ccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)/C=C\c4ccc(OC)cc4)ccc32)cc1 205648118 CZGFOVPQERCGBW-IKWACOBUSA-N 480.520 5.097 50 10 JKGE Cc1cc(C)c(C)c([C@@H](Br)c2ccc(Br)cc2Br)c1C 235818842 HSTKZEUMHDEAFR-KRWDZBQOSA-N 461.035 6.930 50 10 JKGE COc1ccc(C=NNC(=O)c2sccc2C)cc1COc1ccccc1Br 252628768 SXIOVDZTOZTWLG-UHFFFAOYSA-N 459.365 5.171 50 10 JKGE COc1cc(C=NNC(=O)c2cc3c(s2)CC[C@H](C)C3)ccc1OCc1ccccc1Cl 254700174 GVTHVILFGUIYIF-INIZCTEOSA-N 469.006 5.878 50 10 JKGE CCOc1ccc([C@@H](Br)c2c(C)cccc2Br)cc1Br 313510128 KANKNYSEVFKILE-MRXNPFEDSA-N 463.007 6.403 50 10 JKGE Clc1ccc(I)c(CN2CCC(CCCBr)CC2)c1 405322293 ZZHOVCRXJBDALM-UHFFFAOYSA-N 456.593 5.332 50 10 JKGE Cc1cc([C@H](Br)c2ccc(F)c(Br)c2F)sc1Br 691537255 CJAXLQKWLSWMPD-SECBINFHSA-N 460.963 6.344 50 10 JKGE C[C@]12CN(Cc3ccccc3)C[C@]1(C)CN(c1cccc(Br)c1CBr)C2 705963596 VPVVVXXRIOEEAB-FGZHOGPDSA-N 478.272 5.692 50 10 JKGE Cc1cc(F)c([C@H](Cl)c2ccc(I)c(Br)c2)cc1C 721607735 CSNKVAFMBLYENZ-OAHLLOKOSA-N 453.520 6.138 50 10 JKGE Fc1cccc([C@H](Br)c2sccc2Br)c1I 721672249 KVYNDCSYCFYSSL-VIFPVBQESA-N 475.946 5.739 50 10 JKGE Cc1ccc(CSCC(=O)NN=Cc2c(Br)c(C)n(-c3cccc(C)c3)c2C)cc1 1084214657 CMEAMBIRKBEWCL-UHFFFAOYSA-N 484.463 5.857 50 10 JKGE COc1ccc(NCCCC(=O)NN=Cc2ccccc2OCc2ccccc2Cl)cc1 1084284328 DWJADMSAPRRGDO-UHFFFAOYSA-N 451.954 5.270 50 10 JKGE O=C(NN=Cc1ccc2ccc3cccc4ccc1c2c34)c1ccc(NC(=O)c2ccccc2)cc1 1084390702 BQMHIBGBNVWJLN-UHFFFAOYSA-N 467.528 6.600 50 10 JKGE Cc1c(/C=C(\C#N)C(=O)N2CCN(c3ccccc3)CC2)c2ccccc2n1Cc1ccc(Cl)cc1 1084436270 WHZSELRSPDGCGN-LYBHJNIJSA-N 495.026 5.907 50 10 JKGE CC(C)(C)Oc1ccc([C@@H]2CN(C(=O)OCc3ccccc3)C[C@H]2CI)cc1 1614619689 AJYVVRKFLDGKSH-CTNGQTDRSA-N 493.385 5.651 50 10 JKGE Cc1cccc(C(=O)NN=C2CCCc3oc(C(=O)Nc4cc(Cl)cc(Cl)c4)c(C)c32)c1 1772745382 ZQRKQDQOLNGQEH-UHFFFAOYSA-N 470.356 5.926 50 10 JKGE N#CC1=C(N)Oc2c(c(-c3ccccc3)nn2Cc2cccc(F)c2)[C@H]1c1ccc(Cl)cc1 1865683171 HQPBDDPJNPQRRL-QFIPXVFZSA-N 456.908 5.609 50 10 JKGE CCCOc1ccc([C@@H]2C(C#N)=C(N)Oc3c2c(C(F)(F)F)nn3-c2ccc(C)cc2)cc1OCC 1865690805 BLRAZBOKCYVWNC-OAQYLSRUSA-N 498.505 5.605 50 10 JKGE CCCCCOc1ccc([C@@H]2C(C#N)=C(N)Oc3c2c(CC)nn3Cc2cc(C)ccc2C)cc1 1865693712 QGSPFSVNLLBVFM-AREMUKBSSA-N 470.617 5.898 50 10 JKGE CCCOc1ccc([C@@H]2C(C#N)=C(N)Oc3c2c(C(F)(F)F)nn3-c2ccc(Cl)cc2)cc1 1865694193 RJHPPLSXRFGQJE-GOSISDBHSA-N 474.870 5.551 50 10 JKGE CCOc1ccc([C@H]2C(C#N)=C(N)Oc3c2c(-c2ccccc2)nn3-c2ccc(OC)cc2)cc1OC 1865695300 NGCMKXSUGIMUDZ-VWLOTQADSA-N 494.551 5.173 50 10 JKGE CCCCCCOc1ccc([C@@H]2C(C#N)=C(N)Oc3c2c(C(F)(F)F)nn3CCC)cc1OC 1865696180 KPBWXAYNGVJIPP-LJQANCHMSA-N 478.515 5.498 50 10 JKGE Cc1nn(-c2ccccc2)c2c1[C@@H](c1c(OCc3ccccc3)ccc3ccccc13)C(C#N)=C(N)O2 1865704563 YUEJDLVEEFQQCS-LJAQVGFWSA-N 484.559 6.131 50 10 JKGE CCCCCOc1ccc(/C=C(/C(=O)N(CCCl)CCCl)c2ccccc2)cc1OC 1866310964 ZBWNEGAZQUXINI-RELWKKBWSA-N 464.433 6.111 50 10 JKGE CC[C@](C)(NC(=O)Cc1csc(COc2ccc(C)cc2)n1)C(=O)Nc1ccc(SC#N)cc1 1866588986 QZPMTLWSVHPLFA-VWLOTQADSA-N 494.642 5.070 50 10 JKGE Cc1ccc([C@@H](CC(=O)N[C@@H](Cc2ccccc2)C(=O)Nc2ccc(SC#N)cc2)C2CC2)cc1C 1866721520 RVPCBFHZTJPYJP-NSOVKSMOSA-N 497.664 6.127 50 10 JKGE N#C/C(=C(/O)c1ccc(N2CCCC2)c([N+](=O)[O-])c1)c1nc(-c2ccc(Cl)c(Cl)c2)cs1 1872749175 FNHIHEZMRZUEAV-QNGOZBTKSA-N 487.368 6.575 50 10 JKGE CCCCCCCOc1ccc(-c2csc(/C(C#N)=C(\O)Cc3ccc(F)cc3)n2)cc1 1872753005 CSGGQDBTTRCFFP-BZZOAKBMSA-N 450.579 7.334 50 10 JKGE N#C/C(=C(/O)COc1ccc(Cl)cc1Cl)c1nc(-c2ccc(Oc3ccccc3)cc2)cs1 1872753839 PKSKPEGFGLVPBY-ATJXCDBQSA-N 495.387 7.781 50 10 JKGE COc1c(C)cc(C)cc1-c1csc(/C(C#N)=C(\O)CCCOc2cc(C)c(Cl)c(C)c2)n1 1872754602 AGLGQZULXMLFHD-LNVKXUELSA-N 483.033 7.358 50 10 JKGE COc1cc(/C=C(\C#N)c2nc(-c3ccc(Cl)cc3)cs2)ccc1OCCc1ccccc1 1872789996 DGZGSYSOSAUWLC-PXLXIMEGSA-N 472.997 7.158 50 10 JKGE CCN(Cc1ccccc1)c1ccc(/C=C(\C#N)c2nc(-c3cccc4ccccc34)cs2)cc1 1872791617 OHLQYWRERRUCIU-LGUFXXKBSA-N 471.629 8.054 50 10 JKGE CCCOc1ccc(C/C(O)=C(\C#N)c2nc(-c3ccc(OCCC)c(OCCC)c3)cs2)cc1 1872818340 XWZHSVWRASQRJA-BZZOAKBMSA-N 492.641 7.212 50 10 JKGE COc1ccc(C)cc1-c1csc(/C(C#N)=C(\O)c2ccccc2I)n1 1873920204 ACRIUMRCQVCZHI-CYVLTUHYSA-N 474.323 5.682 50 10 JKGE COc1ccc(/C=C(C(/O)=C(\C#N)c2nc(-c3cc(C)ccc3OC)cs2)\c2ccccc2)cc1 1873921018 QBFIEVHVFCXKBZ-RRSDJOIDSA-N 480.589 7.169 50 10 JKGE CCc1nn(C)c([C@@H](Br)c2ccc(F)c(Br)c2)c1Br 1877184868 XIXAQQLFUSKNBD-NSHDSACASA-N 454.963 5.131 50 10 JKGE CC[C@H](Br)CN(Cc1ccccc1)Cc1cccc(Br)c1Br 1915091935 DIJAEMQUWRIYLF-INIZCTEOSA-N 490.077 6.387 50 10 JKGE Cc1cc([C@@H](Br)c2cc(Br)cc3c2O[C@H](C)C3)oc1Br 1917604341 PWVKZDYZHICNSJ-OQPBUACISA-N 464.979 5.921 50 10 JKGE COc1ccc(OC)c([C@@H](Br)c2sc(Br)c(C)c2Br)c1 1922882207 GNQJQXLQTANOEZ-GFCCVEGCSA-N 485.035 6.083 50 10 JKGE Cc1cc([C@@H](Br)c2sc(Br)cc2Br)cc(C)c1F 1922884316 FIVZJTVKZRGJCF-LLVKDONJSA-N 457.000 6.513 50 10 JKGE Clc1c(Br)sc(Br)c1[C@@H](Cl)c1nscc1Br 1923054623 HXRUVWXYQTXXNR-SCSAIBSYSA-N 486.863 6.474 50 10 JKGE C[C@@H]1CO[C@H]([C@H](Br)c2c(Br)sc(Br)c2Cl)C1 1923066539 QWNSGLBPMYEOGE-VPLCAKHXSA-N 453.421 5.788 50 10 JKGE CC1(C)C[C@H]([C@@H](Cl)c2c(Br)sc(Br)c2Cl)C(C)(C)O1 1923068606 UMBQDNQHXZGOCD-HTRCEHHLSA-N 451.051 6.800 50 10 JKGE Cc1cccc([C@H](Cl)[C@H](C)c2ccncc2Br)c1I 1924044489 XEZBJMSSNHCFHQ-QMTHXVAHSA-N 450.545 5.841 50 10 JKGE Cc1cc(C)cc([C@@H](Cl)c2c(Br)sc(Br)c2Br)c1 1924584999 GBWLHBUQBWGUPD-LLVKDONJSA-N 473.455 6.981 50 10 JKGE Fc1cc(Cl)ccc1[C@@H](Cl)c1c(Br)sc(Br)c1Br 1924592332 YKWMJQBFSQCFEB-SECBINFHSA-N 497.836 7.156 50 10 JKGE COC1CC([C@@H](Cl)c2c(Br)sc(Br)c2Br)C1 1924614333 XSSSRETXSJQCBC-MPKXYMLHSA-N 453.421 5.741 50 10 JKGE COc1ccc([C@H](Br)c2c(Cl)sc(Cl)c2Cl)cc1Br 1925585112 NDJCYKKOGSLSBB-VIFPVBQESA-N 465.421 6.964 50 10 JKGE CC1(C)CC[C@@H](Br)[C@@H](CNC(=O)c2scc(Br)c2Br)C1 1927053007 VDLSQRHGGMMNCO-RKDXNWHRSA-N 488.083 5.593 50 10 JKGE Brc1ccc([C@H](Br)c2csc(Br)c2Br)cc1 1937735185 WZZKVYAVZIYPDX-VIFPVBQESA-N 489.852 6.520 50 10 JKGE CCN(CC)CCN(Cc1ccccc1)c1ccc(CBr)c(Br)c1 1946812431 CEZXHFHUURKPCT-UHFFFAOYSA-N 454.250 5.692 50 10 JKGE CN(c1c(CBr)ccc(Br)c1Cl)[C@@H]1CCN(Cc2ccccc2)C1 1948735637 DFVCRDYICFEYTK-MRXNPFEDSA-N 472.652 5.708 50 10 JKGE C[C@H]1C[C@@H](N(C)c2ccc(CBr)c(Br)c2)CN1Cc1ccccc1 1949205792 VXNNIGOGBAMXAY-HNAYVOBHSA-N 452.234 5.443 50 10 JKGE C[C@@H]1C[C@H](N(C)c2cccc(Br)c2CBr)CN1Cc1ccccc1 1949206329 ZVHQWFZOTHGZFE-WBVHZDCISA-N 452.234 5.443 50 10 JKGE CN(Cc1ccccc1)[C@@H]1CCCN(c2ccc(Br)cc2CBr)C1 2003359833 FERUMSIHAOFHJK-LJQANCHMSA-N 452.234 5.445 50 10 JKGE Cc1cc(Br)c(CBr)c(N(C)[C@H]2CC[C@@H]2OCc2ccccc2)c1 2005455768 JMUVGLPDUYJIOA-ICSRJNTNSA-N 453.218 5.836 50 10 JKGE Cl[C@H](Cc1ccc(Br)cc1)c1cccc(Br)c1Br 2031481255 DKTIJPHEPLJWEO-CYBMUJFWSA-N 453.399 6.497 50 10 JKGE CN(C(=O)c1csc(Br)c1Br)[C@H]1CCCC[C@H]1Br 2032954165 XZYMBVCPMCPONB-BDAKNGLRSA-N 460.029 5.051 50 10 JKGE CN(c1c(CBr)ccc(Br)c1Cl)[C@@H]1CCCN(Cc2ccccc2)C1 2036840625 SSZTZHLNPSTHDK-QGZVFWFLSA-N 486.679 6.098 50 10 JKGE N#CC(=Cc1ccc(-c2ccc(Cl)c(C(F)(F)F)c2)o1)c1ccc(Br)cc1 2040469515 AUJLYBPFOGATDC-UHFFFAOYSA-N 452.657 7.445 50 10 JKGE Cc1nn(C)c(Br)c1[C@H](Cl)c1cc(Br)ccc1Br 2065885728 FJDSPTZLWINHLD-LLVKDONJSA-N 457.391 5.344 50 10 JKGE CC(C)(C)OC(=O)N1CCC[C@@](CI)(OC[C@@H]2CC23CCCCC3)C1 2077648812 KHJILBHQJJRLGO-JXFKEZNVSA-N 463.400 5.178 50 10 JKGE Brc1ccc([C@@H](Br)c2cc3sccc3s2)c(Br)c1 2083341198 YCQAMJGNPWSIAU-CYBMUJFWSA-N 467.045 6.972 50 10 JKGE CC(C)Cc1ccc([C@H](Cl)c2cc(Br)ccc2I)s1 2087338502 LZDOYWXNTKJEPN-OAHLLOKOSA-N 469.613 6.642 50 10 JKGE Fc1ccc(Br)c([C@H](Br)c2cc(C3CC3)c(Br)s2)c1 2094673406 KSYPJUKSSQFMKX-ZDUSSCGKSA-N 469.011 6.774 50 10 JKGE O=C(c1csc(Br)c1Br)N1CC2(CCC2)C[C@@H]1CBr 2095171149 QYLJKNUQTOSAFS-MRVPVSSYSA-N 472.040 5.053 50 10 JKGE CC(C)(C)OC(=O)N[C@H](C[S@@](C)(=O)=NC[C@H](CBr)C(C)(C)C)C(C)(C)C 2106785860 CQCZPXYBMJVCSK-FBUUVDBFSA-N 455.503 5.081 50 10 JKGE COc1cc(F)c(Br)cc1[C@@H](Br)c1cc(Br)c(Cl)s1 2115942913 PZWPZUDLIHPNOU-LLVKDONJSA-N 493.417 6.559 50 10 JKGE CC[C@H](Br)[C@H]1CCCCN1Cc1cc(Br)ccc1Br 2118519803 NWNFTOVYCUQJRB-DZGCQCFKSA-N 454.044 5.740 50 10 JKGE FC1(F)C2(CC2)C12CC([C@H](Br)c1cc(Br)sc1Br)C2 2127511592 JOWXGHIIDTXUCS-HTARLIKDSA-N 477.006 6.535 50 10 JKGE COc1c(Cl)cc(Br)cc1[C@@H](Cl)c1ccc(OCc2ccccc2)cc1 2138241913 MZKYKRITJAHDDX-FQEVSTJZSA-N 452.175 7.018 50 10 JKGE Cn1cnc2sc([C@@H](Br)c3ccc(Br)cc3Br)cc21 2138869932 DWQYKPQCRUKEJZ-LBPRGKRZSA-N 465.008 5.644 50 10 JKGE Clc1ccc(C[C@H](CBr)Cc2cccc(Br)c2)c(Br)c1 2144777403 SUOZNESJQWEUJR-GFCCVEGCSA-N 481.453 6.661 50 10 JKGE COc1ccc([C@@H](Br)c2cc(C)cc(Br)c2F)cc1Br 2145599569 DQQNIWIDXLKCRC-CQSZACIVSA-N 466.970 6.152 50 10 JKGE COc1ccc(Br)cc1[C@H](Br)c1cc(C)cc(Br)c1F 2145601718 UNGSCIYUXQIEFN-AWEZNQCLSA-N 466.970 6.152 50 10 JKGE Fc1ccc([C@@H](Br)c2cc(Br)c3c(c2)CCO3)cc1Br 2146626846 HONYYPXHFNQFNV-CQSZACIVSA-N 464.954 5.770 50 10 JKGE FC(F)(F)C1CC(COc2c(Br)cc(CBr)cc2Br)C1 2155378817 ALQBRPCVRBWZJH-UHFFFAOYSA-N 480.944 6.074 50 10 JKGE FC1(F)CCC2(CC1)C[C@@H]2[C@H](Br)c1c(Cl)sc(Br)c1Cl 2163396707 RICSZAZLCZFRSB-SVRRBLITSA-N 469.016 7.469 50 10 JKGE Cc1cc(Br)c([C@H](Br)c2cc3ncccc3s2)cc1Br 2164950644 ACUOHIUEBLXXGN-HNNXBMFYSA-N 476.031 6.614 50 10 JKGE Cc1cc(Br)c(C)c([C@H](Br)[C@@H]2C[C@H]3[C@@H](C2)C3(C)C)c1Br 2201069308 VBXRSESFCPJAOE-AZKPJATDSA-N 465.067 6.947 50 10 JKGE COc1c(Br)cc(C)cc1[C@H](Br)c1ccc(Br)cc1Cl 2203829244 IXZHTDFRAZZRGY-CQSZACIVSA-N 483.425 6.666 50 10 JKGE COc1c(C)cc(Br)cc1[C@@H](Cl)c1ccc(I)c(Cl)c1 2206588150 XZOVESPLONAADA-AWEZNQCLSA-N 485.974 6.352 50 10 JKGE Cc1cc(C)c([C@H](Br)c2sc(Br)c(C)c2Br)s1 2213682271 QXOLWDYOFFQZAV-VIFPVBQESA-N 459.066 6.744 50 10 JKGE Cl[C@H](c1c(Br)sc(Br)c1Br)[C@@H]1C[C@H]2CCC[C@H](C2)C1 2225322487 UGWOHLQJGFLGRG-HAYRHPOISA-N 491.514 7.532 50 10 JKGE COc1cc(F)cc([C@H](Cl)c2c(Br)sc(Br)c2Br)c1 2226032235 ICGGPCHOADPIGX-JTQLQIEISA-N 493.417 6.512 50 10 JKGE CCOc1ccc(Br)cc1[C@H](Br)c1scc(Br)c1C 2226123458 PZCPMBGXZKXLNQ-ZDUSSCGKSA-N 469.036 6.465 50 10 JKGE CO[C@H]1C[C@@H](C[C@H](Br)c2c(Br)cc(C)c(Br)c2C)C1 2227350351 HHHYJXUZXGIUIB-LOWVWBTDSA-N 455.028 6.080 50 10 JKGE CC(C)(C)OC(=O)N1CCC[C@](CI)(O[C@@H]2CCC[C@H](C(F)(F)F)C2)C1 2231383410 IDWMCOUSBYKEMR-JJRVBVJISA-N 491.332 5.329 50 10 JKGE Fc1ccc2nc(CCCl)n(C[C@H]3CC3(Br)Br)c2c1Br 2233039334 KRWALFVXHYBQPB-SSDOTTSWSA-N 489.408 5.225 50 10 JKGE Cc1cc([C@@H](Br)c2ccc(C)c(Br)c2C)cc(C)c1Br 2235678948 OSXCTRSOYIDJHM-QGZVFWFLSA-N 461.035 6.930 50 10 JKGE Cc1sc([C@H](Br)c2cccc(OCc3ccccc3)c2)c(Br)c1C 2246413705 MDDBPKNWVITRNT-LJQANCHMSA-N 466.238 7.191 50 10 JKGE CCc1cc([C@H](Cl)c2ccc(I)c(Cl)c2)sc1Br 2255989422 SWFNXGUMDSALPI-GFCCVEGCSA-N 476.004 6.659 50 10 JKGE Cc1cc(Br)c([C@@H](Br)c2cn(C)c(Br)n2)c(C)c1F 2264476361 NWKOQOHWTBTOSG-NSHDSACASA-N 454.963 5.185 50 10 JKGE Fc1cc([C@H](Br)Cc2ccncc2Br)c(F)cc1Br 2267217472 IAYICNHYACQSIB-SECBINFHSA-N 455.922 5.564 50 10 JKGE Clc1ccc([C@@H](Cl)c2cc(C3CC3)c(Br)s2)cc1I 2268286721 BHNBNPATLWJJMD-CYBMUJFWSA-N 488.015 6.974 50 10 JKGE Cl[C@@H](c1ccc(C2CCC2)s1)c1ccc(Br)cc1I 2271979152 NTSNMXNDYPJNAX-OAHLLOKOSA-N 467.597 6.711 50 10 JKGE Cc1cc([C@@H](Br)c2c(F)cc(Br)c(F)c2Br)oc1C 2272726653 ATROEMCDRHCKHH-LLVKDONJSA-N 458.922 6.184 50 10 JKGE Cc1ccc(Br)cc1[C@H](Br)c1cc2sc(Br)cc2s1 2278103821 VULDFVYETYDAGV-AWEZNQCLSA-N 481.072 7.281 50 10 JKGE Cc1cc(Br)c([C@H](Br)c2c(C)nn(C)c2Br)c(C)c1F 2279150134 VEYPYXRRMLQMAU-LBPRGKRZSA-N 468.990 5.494 50 10 JKGE Cc1c(Br)ccc([C@H](Cl)c2cc(F)c(Br)cc2F)c1Br 2282091418 WHFBEBIYPHVYMJ-AWEZNQCLSA-N 489.379 6.889 50 10 JKGE COc1ccc([C@H](Br)c2ccc(Cl)c(I)c2)c(OC)c1 2287082390 DMWCGVYTQMUOAS-OAHLLOKOSA-N 467.528 5.446 50 10 JKGE CCCN[C@H](c1c(F)cc(Br)c(F)c1Br)[C@H]1C[C@@H](Br)C1 2288375759 HASLYFJVIHGUEN-GIHMMQTOSA-N 475.997 5.704 50 10 JKGE N#CC(=Cc1ccccc1)C(=O)Oc1ccc2c(=O)c(-c3ccccc3)c(C(F)(F)F)oc2c1 2293189821 NGQQJHCMYYVCJC-UHFFFAOYSA-N 461.395 5.991 50 10 JKGE COc1cc(C=C(C#N)C(=O)Nc2ccc(C)cc2)cc(Cl)c1OCc1cccc2ccccc12 2294175251 LJXUTTJHMCPBDV-UHFFFAOYSA-N 482.967 6.935 50 10 JKGE COc1ccc(C=C(C#N)C(=O)Nc2cc(Cl)cc(Cl)c2)cc1OCc1ccc(Cl)cc1 2295459653 KCGVPHMQYDQHPI-UHFFFAOYSA-N 487.770 6.780 50 10 JKGE CCOCCCNC(=O)C(C#N)=Cc1ccc(OCc2ccc(Cl)cc2Cl)c(OC)c1 2297381889 NXHYXGGEKILMJY-UHFFFAOYSA-N 463.361 5.031 50 10 JKGE CCSC(NC(=O)c1ccccc1)=C(C#N)[C@@H](CC(=O)c1ccccc1)c1ccccc1Cl 2297453869 HQCYGORNQDHOBW-QFIPXVFZSA-N 475.013 6.615 50 10 JKGE FC1(F)CC[C@H]1C[C@H](Br)c1ccc(OCc2ccccc2)cc1Br 2299492620 DBXUWYXICFJGGT-YOEHRIQHSA-N 460.156 6.900 50 10 JKGE CCC1([C@@H](Br)c2ccc(OCc3ccccc3)cc2Br)CCCC1 2299495468 LCSCUCAPPPXFTF-FQEVSTJZSA-N 452.230 7.435 50 10 JKGE CC[C@H]([C@H](Br)c1ccc(OCc2ccccc2)cc1Br)C(C)(F)F 2299529680 FDSCTOLOBKYCQL-SJLPKXTDSA-N 462.172 7.146 50 10 JKGE N#CC(=Cc1cc(Br)ccc1OCc1ccccc1Cl)C(=O)Nc1ccccc1 2313540901 ASNVXJIKVYPUIH-UHFFFAOYSA-N 467.750 6.227 50 10 JKGE Cc1cccc(COc2ccc(Br)cc2C=C(C#N)C(=O)Nc2ccc(C)cc2C)c1 2313667696 ROJKBYFSKCQVKX-UHFFFAOYSA-N 475.386 6.499 50 10 JKGE N#CC(=Cc1ccc2noc(-c3ccccc3)c2c1)C(=O)Nc1sc2c(c1C#N)CCCC2 2314488423 OEAWBCFMDFQVHP-UHFFFAOYSA-N 450.523 5.852 50 10 JKGE Cc1ccc(-c2csc(C(C#N)=Cc3ccc4noc(-c5ccc(Cl)cc5)c4c3)n2)cc1 2314571138 BRGXUXIUXGAAGV-UHFFFAOYSA-N 453.954 7.644 50 10 JKGE CC1=C(C#N)C(=O)N(Cc2ccc(F)cc2)C(=O)C1=Cc1ccc(OCc2ccccc2Cl)cc1 2314619790 FMBBMPDBZYJCRQ-UHFFFAOYSA-N 486.930 5.851 50 10 JKGE COCc1cc(Br)c([C@@H](Br)c2csc(C)c2Br)s1 2320479563 XPUGPUCOAJSMHK-NSHDSACASA-N 475.065 6.274 50 10 JKGE Cc1nc(-c2ccc(Cl)cc2Cl)ccc1C(=O)NNC(=O)C=Cc1ccc(Cl)cc1 2321143252 PGBTXQFVZHCNHY-UHFFFAOYSA-N 460.748 5.492 50 10 JKGE FC1(F)[C@H]2C[C@H]([C@H](Br)c3cc(Br)ccc3Br)CC[C@H]21 2329711294 FBCLDUUGYMYHJG-XDRUHAPNSA-N 458.966 6.329 50 10 JKGE COC(=O)c1ccc2c(O)nc(C(C#N)=Cc3ccc(OCc4cccc(Cl)c4)cc3)nc2c1 2331046371 KVBWWSWVCGLPPN-UHFFFAOYSA-N 471.900 5.419 50 10 JKGE CC(C)OC(=O)c1ccc(C(C#N)=Cc2cccc(OCc3ccc(Cl)cc3Cl)c2)o1 2331049756 PNIWGYCYFNQYJX-UHFFFAOYSA-N 456.325 6.795 50 10 JKGE N#CC(=C(O)C=Cc1ccc(Cl)cc1)c1nc(-c2ccc(Oc3ccccc3)cc2)cs1 2331358728 HVRPRMURJIUZTL-UHFFFAOYSA-N 456.954 7.762 50 10 JKGE Cc1ccc(OCC(O)=C(C#N)c2nc(-c3ccc(Oc4ccccc4)cc3)cs2)c(C(C)(C)C)c1 2331358966 KREDGVTZOSIGPI-UHFFFAOYSA-N 496.632 8.080 50 10 JKGE Cc1cc(Br)c(C)c([C@H](Br)[C@H]2C[C@@H]3CC[C@H]2O3)c1Br 2332925875 SPFBUWXGXWFFGJ-LFIJZLDSSA-N 453.012 5.832 50 10 JKGE Brc1cc(OCc2ccccc2)ccc1[C@H](Br)[C@@H]1OC[C@H]2CCCC[C@@H]21 2336044654 PSNUQTXPEXKEEB-MPSQCAORSA-N 480.240 6.669 50 10 JKGE CC(C)(c1ccccc1)[C@@H](Br)c1ccc(OCc2ccccc2)cc1Br 2336084162 QRTNIFIVDOURKD-QFIPXVFZSA-N 474.236 7.442 50 10 JKGE Cn1nc(Br)c(Br)c1[C@H](Cl)c1cc(Br)c(Cl)cc1F 2338720440 RDHXMEZCFSFQNK-SECBINFHSA-N 495.799 5.828 50 10 JKGE C[C@H](c1ccncc1F)[C@H](Br)c1cc(I)ccc1Br 2344691830 HFWLYOHBUAWICW-CLAHSXSESA-N 498.959 5.828 50 10 JKGE Cc1cc(OCc2cc(I)ccc2Cl)ncc1CBr 2352248431 LLSVJSHGDDIOHQ-UHFFFAOYSA-N 452.517 5.122 50 10 JKGE BrCc1cc(Br)cc(Br)c1OC[C@H]1CC[C@@H]2C[C@H]1CO2 2359050684 OWMINWNLEUEGBR-SUZMYJTESA-N 469.011 5.300 50 10 JKGE Clc1cc(Br)c([C@@H](Br)[C@@]23CCCC[C@@H]2CC3)c(Cl)c1Cl 2359789115 JOSSSTYMYLCMGJ-KBOAJJQZSA-N 461.452 7.816 50 10 JKGE Brc1cc(OCc2ccccc2)ccc1[C@H](Br)[C@H]1CCOc2ccccc21 2361196635 ZMIVKZADFKBLOB-WMZHIEFXSA-N 488.219 7.030 50 10 JKGE COCC1([C@H](Br)c2c(Cl)cc(Br)c(F)c2Br)CCCC1 2362255843 RNNYURSGFDGIPZ-CYBMUJFWSA-N 493.436 6.647 50 10 JKGE Clc1cc(I)c([C@H](Br)[C@H]2[C@H]3c4ccccc4CC[C@H]32)s1 2364122112 MDCSOYCCVOIXTG-AQNFWKISSA-N 479.608 6.418 50 10 JKGE Cc1cc(Br)c(F)c(Br)c1[C@@H](Br)[C@@H]1C[C@@H]2CCC[C@@H]2C1 2365193057 FZVYAYHRIXOSNV-OXIWPEFWSA-N 469.030 6.921 50 10 JKGE Cc1ccc(C[C@H](CBr)Cc2cc(I)ccc2Cl)cc1 2380466896 POTWIPJOPVSZSU-AWEZNQCLSA-N 463.584 6.049 50 10 JKGE CCOc1cc(/C=N/NC(=O)c2ccc(NC(=O)CC)cc2)ccc1OC(=O)c1ccc(Cl)cc1 657021 BIAROGKJGQGSJJ-LQKURTRISA-N 493.947 5.070 50 10 JKGE COc1ccc(Cl)cc1NC(=O)/C(C#N)=C/c1c[nH]nc1-c1ccc(Br)cc1 2743932 IQNRUXSIEJTQPG-MDWZMJQESA-N 457.715 5.047 50 10 JKGE CCCCCOc1ccc(/C=C(/C#N)C(=O)Nc2sc(C)c(C)c2C(=O)OCC)cc1OC 33862580 HHYNNIXZJFFSID-UYRXBGFRSA-N 470.591 5.665 50 10 JKGE Cc1ccc(NC(=O)/C(C#N)=C\c2cc(C)n(-c3ccc(N4CCOCC4)c([N+](=O)[O-])c3)c2C)c(C)c1 34875941 LAXBIVGMLMZOEB-HAHDFKILSA-N 499.571 5.001 50 10 JKGE CC(C)c1ccc(NC(=O)/C(C#N)=C\c2cc([N+](=O)[O-])ccc2OCC(=O)Nc2ccccc2)cc1 35519608 HNWPZAZBJAPJDO-STZFKDTASA-N 484.512 5.281 50 10 JKGE CCOc1ccccc1C(=O)Oc1ccc2c(c1)OC(N)=C(C#N)[C@@H]2c1cccc(Br)c1 38651547 NTRLTKBYQDYABO-HSZRJFAPSA-N 491.341 5.285 50 10 JKGE Cc1ccc2c(Cl)c(C(=O)Oc3ccc4c(c3)OC(N)=C(C#N)[C@@H]4c3ccc(C)o3)sc2c1 38688659 HIRNSQVFVSZUMU-OAQYLSRUSA-N 476.941 6.202 50 10 JKGE N#C/C(=C\c1ccccc1OCC(=O)Nc1nccs1)c1nc(-c2cccc([N+](=O)[O-])c2)cs1 39842930 XIKFXHSXMRXUGJ-LICLKQGHSA-N 489.538 5.256 50 10 JKGE Cc1cccn2c(=O)c(/C=C(/C#N)C(=O)Nc3cccc(Cl)c3)c(Oc3ccc(F)cc3)nc12 39858702 ZQFVDAZTBAZORG-VBKFSLOCSA-N 474.879 5.133 50 10 JKGE COc1cccc(C(=O)N/N=C2\CCCc3oc(C(=O)Nc4ccc(C)c(Cl)c4)c(C)c32)c1 40822245 AGFDTNDHRYWIGA-VFCFBJKWSA-N 465.937 5.281 50 10 JKGE CCOC(=O)/C(C#N)=C/c1ccc(OC(=O)CCCOc2ccc(C(C)C)cc2)c(OCC)c1 40950064 PALYGSOHAMEIIU-CJLVFECKSA-N 465.546 5.443 50 10 JKGE COc1cc(/C=C\C#N)ccc1OC(=O)COc1ccc(-c2ccccc2)cc1Br 41014738 UGTYVTQYCQFMGQ-WAYWQWQTSA-N 464.315 5.646 50 10 JKGE C#CCOc1ccc(Br)cc1/C=N/NC(=O)c1ccc(OCc2ccc(C)cc2)cc1 48571778 DHBWXHPZCIVALF-JVWAILMASA-N 477.358 5.112 50 10 JKGE CC[C@@H](Br)C(=O)Nc1c(Br)cc(Br)cc1Br 61487768 BRGKQYYOCOPTPN-ZCFIWIBFSA-N 478.804 5.086 50 10 JKGE N#C/C(=C/c1ccc(OCc2ccc(F)cc2)cc1)C(=O)Nc1cc([N+](=O)[O-])ccc1Cl 96562738 BQCANYVCBBZSBT-BOPFTXTBSA-N 451.841 5.512 50 10 JKGE CCCNC(=O)/C(C#N)=C\c1ccc(OC(=O)CCCOc2ccc(C(C)(C)C)cc2)c(OC)c1 98027950 MVFDKGSIDQCDDL-FXBPSFAMSA-N 478.589 5.190 50 10 JKGE CCCCCCCCCCCCCCCCNc1ncnc(NNC(=O)c2ccncc2)c1N 101531865 SUWLRBVRQIBERM-UHFFFAOYSA-N 469.678 6.104 50 10 JKGE N#C/C(C(=O)Nc1ccc(Cl)cc1)=C1\S[C@@H](Cc2ccccc2)C(=O)N1c1ccccc1 102432730 RXJIQXNHXXVKOX-SCIJIFGBSA-N 459.958 5.405 50 10 JKGE COc1c(Br)cc(Cl)cc1[C@@H](Br)c1ccc(Br)c(F)c1 109835961 AIIPWFYRQDXAIG-ZDUSSCGKSA-N 487.388 6.497 50 10 JKGE Fc1cc2c(cc1Br)nc(CCCl)n2Cc1sccc1Br 148427796 YVLRELSDQRQOPX-UHFFFAOYSA-N 452.574 5.592 50 10 JKGE C[C@@H]1Cc2cc([C@@H](Br)c3cc(Br)ccc3Br)ccc2O1 161092811 YRSHKBQZLZRPKA-JDNHERCYSA-N 460.991 6.019 50 10 JKGE COc1ccc(CN(Cc2ccc(OC)cc2)C(=O)NC[C@]2(C)C[C@@H](N=C=O)CC(C)(C)C2)cc1 170289295 QGXXQUMGVGBPSG-NEKDWFFYSA-N 479.621 5.336 50 10 JKGE CC(C)N(CC[C@@H](c1ccccc1)c1cc(CO)ccc1O[Si](C)(C)C(C)(C)C)C(C)C 196953631 SGRHEKPPVGNDJJ-VWLOTQADSA-N 455.759 7.204 50 10 JKGE C=CCOc1cccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)/C=C\c4ccccc4)ccc32)c1 205658947 JZIGIUPIPGUONM-FRCQCVPTSA-N 450.494 5.088 50 10 JKGE CCCCc1ccc(N/C=C(/C#N)C(=O)N2CCN(C(c3ccccc3)c3ccccc3)CC2)cc1 216487621 ZHRGCEOGQMZSBP-COOPMVRXSA-N 478.640 5.782 50 10 JKGE CC(C)N(Cc1ccccc1)C(=O)/C(C#N)=C\Nc1cc(C(F)(F)F)cc(C(F)(F)F)c1 217186764 VPQNPMQUCOBOSH-VBKFSLOCSA-N 455.402 5.981 50 10 JKGE COc1cc(F)c(Br)cc1[C@H](Br)c1ccc(F)c(Br)c1 234915000 PPEXCWFHCUNIES-CQSZACIVSA-N 470.933 5.983 50 10 JKGE Fc1cc(COc2c(Br)cc(CBr)cc2Br)ccc1Cl 236155060 HHOWCNIFTGHYKX-UHFFFAOYSA-N 487.388 6.478 50 10 JKGE COc1ccc(/C=C(\NC(=O)c2ccccc2)C(=O)NN=Cc2c3ccccc3cc3ccccc23)cc1 252616290 JYQAKTUQRVXMMI-HVCHAVOXSA-N 499.570 5.923 50 10 JKGE C[C@H](Oc1ccccc1Br)C(=O)NN=Cc1cn(-c2ccccc2)nc1-c1ccccc1 252628004 SGDBLLJKEVSKIJ-SFHVURJKSA-N 489.373 5.219 50 10 JKGE CCO[C@@H]1[C@H](Cl)C[C@H]1Oc1c(Br)cc(Br)cc1Br 252843522 FGJKAQBOHULEMO-CKYFFXLPSA-N 463.391 5.138 50 10 JKGE CCc1ccc(C=NNC(=O)CSc2nnc(-c3ccc(C)cc3)n2C2CCCCC2)cc1 254419774 LBWGEALRKFMRTR-UHFFFAOYSA-N 461.635 5.564 50 10 JKGE CCC(=NNC(=O)c1ccc(CSc2ccc(Cl)cc2)cc1)c1ccc(OC(F)F)cc1 254446513 LMIONOORRICZLZ-UHFFFAOYSA-N 474.960 6.778 50 10 JKGE BrCC(CBr)(CC1CCCCC1)c1ccc(Br)cc1 311254944 RHVIEVSHUXZJPM-UHFFFAOYSA-N 453.056 6.447 50 10 JKGE Brc1cc2c(cc1[C@H](Br)c1ccc(OCc3ccccc3)cc1)OCCO2 312484155 ZELIRYLIQZKUMO-JOCHJYFZSA-N 490.191 6.284 50 10 JKGE Fc1ccc([C@@H](Br)c2ccc(OCc3ccccc3)cc2)cc1Br 384047099 NUSYCHKXDVWEQR-FQEVSTJZSA-N 450.145 6.652 50 10 JKGE CC1(C)CC[C@@H](COc2c(Br)cc(Br)cc2CBr)O1 388987832 BLQKKWGBUHZDNM-NSHDSACASA-N 457.000 5.443 50 10 JKGE CC(C)(C)OC(=O)NCCN1CCCCC[C@H]1c1ccc(CO[Si](C)(C)C(C)(C)C)cc1 616625901 XGAHUANELSWYGN-QHCPKHFHSA-N 462.751 6.650 50 10 JKGE COCc1cc(Br)c([C@@H](Br)c2ccc(Cl)c(Br)c2)s1 688149498 XEKMZJIZZKAKIF-LBPRGKRZSA-N 489.454 6.557 50 10 JKGE Fc1ccc([C@H](Cl)c2cc(Cl)ccc2I)c(F)c1Br 691543029 SSUFBQSOKVAICZ-LBPRGKRZSA-N 477.901 6.314 50 10 JKGE Cc1cc([C@H](Br)c2ccc(C)c(Br)c2C)sc1Br 719585240 UYOXUCWYSKOUDW-CYBMUJFWSA-N 453.037 6.683 50 10 JKGE CCO[C@@H]1CCC[C@H](O[C@H](CI)c2ccccc2Br)C1 721644162 WZDIBTGZNFQVDA-DVOMOZLQSA-N 453.158 5.290 50 10 JKGE COc1ccc(C=NNC(=O)C(c2ccccc2)c2ccccc2)cc1COc1ccc([N+](=O)[O-])cc1 1084281406 SZHIBWJPDRTAET-UHFFFAOYSA-N 495.535 5.465 50 10 JKGE N#C/C(=C/c1ccc(-c2ccc(Cl)cc2Cl)o1)C(=O)N1CCN(c2ccccc2)CC1 1084522478 ZTFSYBGQECSAEE-VKAVYKQESA-N 452.341 5.509 50 10 JKGE CC(=NNC(=O)CSCc1ccccc1)c1ccc2c(c1)[C@@H]1C=CC[C@@H]1[C@H](c1ccccc1)N2 1084598534 YESAHRSLQKOLII-AHPZMPFVSA-N 467.638 6.287 50 10 JKGE CCCCCCOc1ccc(C=NNC(=O)CCCOc2ccc(CC)cc2Br)cc1 1772755447 HVMGZNIFMIWQQY-UHFFFAOYSA-N 489.454 6.280 50 10 JKGE CC(C)(C)c1ccc(NC(=O)COc2cccnc2NC(=O)Oc2ccc([N+](=O)[O-])cc2F)cc1 1858684501 ZROWCTICVGAKHJ-UHFFFAOYSA-N 482.468 5.055 50 10 JKGE N#CC1=C(N)Oc2c(c(-c3ccccc3)nn2Cc2c(F)cccc2Cl)[C@H]1c1cccc(Cl)c1 1865682911 ALDVTFQFQAMXHE-QFIPXVFZSA-N 491.353 6.262 50 10 JKGE CCCc1nn(Cc2ccccc2Cl)c2c1[C@H](c1ccc(OCC)c(OCC)c1)C(C#N)=C(N)O2 1865689295 OVUAGNKOKTUNGG-XMMPIXPASA-N 493.007 5.553 50 10 JKGE CCOc1c(OC)cccc1[C@@H]1C(C#N)=C(N)Oc2c1c(CC)nn2-c1cccc2ccccc12 1865692148 BNFODDQEEVHMSN-XMMPIXPASA-N 466.541 5.213 50 10 JKGE CCCOc1c(OC)cccc1[C@@H]1C(C#N)=C(N)Oc2c1c(CCC)nn2Cc1ccccc1Cl 1865693356 NJMPZYJASXUNQD-HSZRJFAPSA-N 493.007 5.553 50 10 JKGE CCCCOc1ccc([C@H]2C(C#N)=C(N)Oc3c2c(-c2ccccc2)nn3CCC)cc1OC 1865697128 NSXVJTPZDLNDFO-QHCPKHFHSA-N 458.562 5.366 50 10 JKGE Cn1cc([C@@H]2C(C#N)=C(N)Oc3c2c(-c2ccccc2)nn3Cc2ccccc2Cl)c2ccccc21 1865699559 WVTBBXSWZVKVHL-VWLOTQADSA-N 491.982 5.962 50 10 JKGE C[C@H](CCNC(=O)/C(C#N)=C/c1ccc(Br)cc1)c1cccc(-c2ccc(O)cc2)c1 1866128975 VXZGXCJTDOSYIA-MMTNMYCKSA-N 475.386 6.039 50 10 JKGE CCCC[C@H](NC(=O)c1ccc2oc(-c3ccc(C)cc3)nc2c1)C(=O)Nc1ccc(SC#N)cc1 1866880553 KKUNMVLYCBHVGS-QHCPKHFHSA-N 498.608 6.304 50 10 JKGE CCCCOc1ccc(/C(O)=C(\C#N)c2nc(-c3ccc(F)c(C)c3)cs2)cc1OCC 1872749654 BEUQYIIHPAJGRF-CLCOLTQESA-N 452.551 6.785 50 10 JKGE CC[C@H](C)N1C(=O)c2ccc(/C(O)=C(\C#N)c3nc(-c4ccc(C(C)(C)C)cc4)cs3)cc2C1=O 1872751075 SRUWPYWBPUBAKA-DYYXWGBJSA-N 485.609 6.452 50 10 JKGE COc1cc(OC)c(-c2csc(/C(C#N)=C(\O)CCCOc3c(C)cccc3C)n2)cc1Cl 1872756255 GMSWSWLBKBJKSD-UZYVYHOESA-N 485.005 6.749 50 10 JKGE COC(=O)c1ccccc1N1C[C@@H](/C(O)=C(\C#N)c2nc(-c3c(C)cc(C)cc3C)cs2)CC1=O 1872757278 YJCSMCOEZZZUER-IHCLVQKISA-N 487.581 5.368 50 10 JKGE CCCOc1c(Br)cc(/C=C(\C#N)c2nc(-c3ccccc3OC)cs2)cc1OC 1872784146 FOICPGPTWGFUDU-MHWRWJLKSA-N 485.403 6.443 50 10 JKGE Cc1ccc(COc2ccc(/C=C(\C#N)c3nc(-c4cc(C(C)(C)C)ccc4C)cs3)cc2)cc1 1872794094 JXEDNDAXWYWHPE-PCLIKHOPSA-N 478.661 8.368 50 10 JKGE COc1ccc(-c2csc(/C(C#N)=C/c3ccc(OC(=O)c4ccccc4)cc3)n2)c(OC)c1OC 1872795253 VVHGIWOPFVBJON-HMMYKYKNSA-N 498.560 6.119 50 10 JKGE COc1ccc(OC)c(-c2csc(/C(C#N)=C(\O)c3ccc4c(c3)C(=O)N(CC(C)C)C4=O)n2)c1 1873920782 KGOPITQAHXJUBU-ATJXCDBQSA-N 489.553 5.029 50 10 JKGE CC(C)(C)OC(=O)N[C@H](CBr)Cc1scc(Br)c1Br 1880731037 XSSDCYDEGXWFAX-ZETCQYMHSA-N 478.044 5.104 50 10 JKGE CC(C)(C)OC(=O)N[C@H](CBr)C1CCC2(CCCN2C(=O)OC(C)(C)C)CC1 1885095726 DAIXGAXRVJKFDL-ZGOJQLDESA-N 461.441 5.235 50 10 JKGE Cl[C@H](c1cc(Br)sn1)c1cc(Br)sc1Br 1909864290 MWZSWMYKDQXAFP-ZETCQYMHSA-N 452.418 5.820 50 10 JKGE O=C(c1cc(Br)ccc1Cl)N(Cc1ccccc1)[C@H](CBr)C1CC1 1915314759 SLMYIACJOZSXJV-GOSISDBHSA-N 471.620 5.918 50 10 JKGE CC(C)(CBr)N(Cc1ccccc1)S(=O)(=O)c1ccc(Cl)c(Br)c1 1915770378 BQYFJSFHNYAOHL-UHFFFAOYSA-N 495.664 5.467 50 10 JKGE CN(C[C@@H](Cl)COCc1ccccc1)C(=O)c1cc(Br)cc(Br)c1 1916355550 VZQDXSDWQYXOKF-QGZVFWFLSA-N 475.608 5.108 50 10 JKGE Cc1c(Br)sc([C@H](Br)[C@@H]2CCOc3ccccc32)c1Br 1922879923 AMBSQWFRGPDUNF-ZWNOBZJWSA-N 481.047 6.584 50 10 JKGE COc1cccc([C@@H](Br)c2sc(Br)cc2Br)c1C 1922886401 KKCGHOPDQLABMB-GFCCVEGCSA-N 455.009 6.074 50 10 JKGE FC(F)(F)c1ccc(C[C@@H](Br)c2sc(Br)cc2Br)cc1 1922891668 MWLFUWLVTXEBCL-SECBINFHSA-N 492.980 6.971 50 10 JKGE FC(F)(F)c1ccccc1[C@H](Cl)c1c(Br)sc(Br)c1Cl 1923049473 LYRMRTIUJNPIAR-QMMMGPOBSA-N 468.947 7.274 50 10 JKGE C[C@H](c1ccncc1Br)[C@@H](Cl)c1csc(Br)c1Br 1924070397 JOEFWKSMVMAQOS-KSBSHMNSSA-N 474.443 6.514 50 10 JKGE CC(C)C[C@@H]1C[C@@H]1[C@@H](Cl)c1c(Br)sc(Br)c1Br 1924604679 GQFROIKTRBOECY-MATHAZKKSA-N 465.476 6.998 50 10 JKGE Cl[C@H](c1c(Br)sc(Br)c1Br)[C@]12CCCC[C@H]1OCC2 1924616818 TXYPIRSFVLDVCV-OHILOLKFSA-N 493.486 6.665 50 10 JKGE CCn1ncc(Br)c1[C@@H](Br)c1c(Cl)sc(Br)c1Cl 1925552831 GSGADCJALLXMPH-LURJTMIESA-N 497.865 6.281 50 10 JKGE Clc1sc(Br)c(Cl)c1[C@H](Br)c1cc2cscc2s1 1925623613 UWUKHRSNDCKKFH-MRVPVSSYSA-N 463.068 7.578 50 10 JKGE Brc1ccc(CC[C@H](Br)COCc2ccccc2)c(Br)c1 1934523077 KHUXWFYGPIPIML-INIZCTEOSA-N 477.034 6.125 50 10 JKGE CO[C@@H]1C[C@]2([C@@H](Cl)c3c(Br)sc(Br)c3Br)C[C@H]12 1951248041 XPLONYUTCDOOPX-AFEYRNFISA-N 465.432 5.741 50 10 JKGE FC1(C[C@H](Br)c2c(Br)sc(Br)c2Br)CCC1 1994684753 CCDOYAQZOQCIJR-YFKPBYRVSA-N 499.863 6.754 50 10 JKGE Cc1c(Br)ccc([C@@H](Cl)c2ncsc2Br)c1Br 2024296235 ZFTXVLPIWWJTQZ-SECBINFHSA-N 460.416 6.067 50 10 JKGE CCCc1ccccc1[C@H](Br)c1cc(Br)sc1Br 2027899953 SZTWYBWHPCFKDH-ZDUSSCGKSA-N 453.037 6.710 50 10 JKGE Cc1ccc(N2C(c3ccc4c(c3)OCCO4)=CSC2=C(C#N)c2nc3ccccc3s2)cc1 2053623323 RJYIGVDMEXZMFV-UHFFFAOYSA-N 481.602 6.820 50 10 JKGE C[C@@H](CCCCCI)NCc1c(Br)cccc1Br 2054171297 RVXDGPPTRDRVAC-NSHDSACASA-N 489.033 5.685 50 10 JKGE Cc1c([C@@H](Br)c2c(Cl)sc(Cl)c2Cl)c(Br)nn1C 2067854303 CVNMDIDFIFXUQZ-ZCFIWIBFSA-N 453.414 5.997 50 10 JKGE BrCC1(Cc2c(Br)cccc2Br)CC2(CCOC2)C1 2095636059 SYFYQLHUUSMMKT-UHFFFAOYSA-N 453.012 5.336 50 10 JKGE CN(Cc1cc(Br)ccc1Br)C1(CBr)CC(C)(C)C1 2118527168 DDNDNRPAHQTMJL-UHFFFAOYSA-N 454.044 5.597 50 10 JKGE Fc1cccc(C(CBr)(CBr)Cc2cnsc2Br)c1 2119233075 DVWSRZXLFRXMJQ-UHFFFAOYSA-N 472.015 5.315 50 10 JKGE CCN[C@@H](c1c(C)c(Br)cc(C)c1Br)C1CC(Br)C1 2136380813 CSBGAUYIUCSTOR-QKFMDRJYSA-N 454.044 5.653 50 10 JKGE CCC[C@H]1CN(Cc2ccc(I)c(Cl)c2)C[C@@H]1CBr 2142952950 LNQZTWWWACFHIA-STQMWFEESA-N 456.593 5.188 50 10 JKGE C[C@H](c1cnn(Cc2ccccc2)c1)n1c(CCl)nc2cc(I)c(F)cc21 2146218193 VRTRTLMSSNXBLX-CYBMUJFWSA-N 494.739 5.373 50 10 JKGE CCCCc1ccc([C@@H](Br)c2cccc(Br)c2Br)cc1 2148754214 ZFHSHYIWIPPQTL-MRXNPFEDSA-N 461.035 7.039 50 10 JKGE CCc1ccc([C@H](Br)c2c(Br)cccc2Br)cc1CC 2150494926 UEYBHWRBRMTNMQ-KRWDZBQOSA-N 461.035 6.821 50 10 JKGE ClCc1nc2cccc(Cl)c2n1Cc1scc(Br)c1Br 2150562947 PHXPERCQZDYLHC-UHFFFAOYSA-N 455.002 6.063 50 10 JKGE ClCc1nc2cc(Br)c(Cl)cc2n1C[C@H]1CCCCN1Cc1ccccc1 2159870504 FTESHNFASOIFDJ-MRXNPFEDSA-N 467.238 6.246 50 10 JKGE C[C@H](Cl)c1nc2cc(Br)c(Cl)cc2n1[C@@H]1CN(Cc2ccccc2)C[C@H]1C 2160077691 AFEWLSQQLHWQFP-LAPQFRIASA-N 467.238 6.445 50 10 JKGE CCCCCC1CCC([C@@H](Br)c2cc(Br)c(Br)s2)CC1 2168770860 XLVDYFYPFWDNIY-KOHJWAIASA-N 487.139 8.096 50 10 JKGE O=[N+]([O-])c1ccc(C[C@H](Br)c2cc(I)ccc2F)cc1 2169664395 LWCOIIVOUPLJLU-ZDUSSCGKSA-N 450.045 5.017 50 10 JKGE Cc1c(Cl)cc(CC[C@H](Br)c2ccccc2Br)cc1Br 2169758141 NQSNQJJGBMUSKT-AWEZNQCLSA-N 481.453 7.242 50 10 JKGE CC(C)(C)[C@@]1(CBr)CCN(Cc2cc(Br)ccc2Br)C1 2175152169 LBFIILBTRUNCOU-MRXNPFEDSA-N 468.071 5.845 50 10 JKGE C[C@@H]1C[C@@H](C(F)(F)F)N(C[C@H](CBr)C2CCC2)CCN1C(=O)OC(C)(C)C 2178264759 TUODHEUQMPJTFN-KBMXLJTQSA-N 457.375 5.060 50 10 JKGE C[C@@H](c1nscc1Br)n1c(CCl)nc2cc(I)ccc21 2186645236 CYHPPRQHJTWHLB-ZETCQYMHSA-N 482.572 5.208 50 10 JKGE CC[C@@H](C[C@H](Br)c1c(C)c(Br)cc(C)c1Br)C(C)(C)C 2201062894 QLFQIJKBRXBOHJ-JSGCOSHPSA-N 469.099 7.727 50 10 JKGE Cc1cccc([C@@H](Br)c2c(C)c(Br)cc(C)c2Br)c1Cl 2201069264 JWEVYNJWQNAGRC-OAHLLOKOSA-N 481.453 7.275 50 10 JKGE COc1cc(F)c([C@@H](Br)c2cc(Cl)ccc2Br)cc1Br 2202904247 OVEHXFOFGXAUBZ-AWEZNQCLSA-N 487.388 6.497 50 10 JKGE Clc1ccsc1[C@@H](Br)c1c(Br)cc(Cl)c(Cl)c1Cl 2217616994 BSCNQDXZAVADNG-QMMMGPOBSA-N 469.840 7.609 50 10 JKGE Fc1cc(Br)c(Br)cc1[C@H](Br)[C@@]12CCC[C@@H]1OCC2 2225615926 BCHMIHLWTOWFLF-MELADBBJSA-N 456.975 5.746 50 10 JKGE COc1cc(F)ccc1[C@@H](Br)c1sc(Br)c(C)c1Br 2225633165 HTLIJUMMBDEQGG-LLVKDONJSA-N 472.999 6.214 50 10 JKGE CCCN[C@H](c1c(Br)cc(C)c(Br)c1C)[C@H]1C[C@@H]1Br 2227349517 CQEHDFHKCOHYJU-PGUXBMHVSA-N 454.044 5.653 50 10 JKGE Cc1cc(Br)c([C@H](Br)[C@@H]2C[C@]2(C)C(F)F)c(C)c1Br 2227350651 ILHHMAYYRHMPRC-PELMWDNLSA-N 460.982 6.556 50 10 JKGE O=C(c1cc(F)c(Br)cc1F)N(Cc1ccccc1)[C@@H](CBr)C1CC1 2255882002 HHCBGADMNRBLJY-SFHVURJKSA-N 473.155 5.543 50 10 JKGE Cc1cc(F)c(Br)cc1[C@H](Br)Cc1ccncc1Br 2270436563 HBYVMZKILVMFJJ-LLVKDONJSA-N 451.959 5.733 50 10 JKGE CS(=O)(=O)c1cscc1[C@@H](Br)c1cc(Br)ccc1Br 2272866233 QRBWMWSOEQYSCK-LBPRGKRZSA-N 489.048 5.161 50 10 JKGE FC1(F)C[C@](CBr)(Cc2c(Br)cccc2Br)C12CCC2 2280850417 UYGVPNJWQGQZAW-ZDUSSCGKSA-N 472.993 6.345 50 10 JKGE Fc1cc(Br)c(F)c(Br)c1[C@H](Br)C1CC2(C1)CC21CC1 2288362062 GIEZNYAWIRCDOB-PSYFVYSPSA-N 470.977 6.506 50 10 JKGE C[C@@H](C[C@H](Br)c1c(F)cc(Br)c(F)c1Br)CC(C)(C)C 2288493717 WHIQGKOVAQATMF-IUCAKERBSA-N 477.025 7.388 50 10 JKGE COc1cc(C)c(Cl)cc1[C@@H](Br)c1cc(Br)ccc1Br 2295378847 UGIPNCHQRIIADQ-HNNXBMFYSA-N 483.425 6.666 50 10 JKGE COc1cc(NC=C(C#N)c2nc(-c3ccc(CC(C)C)cc3)cs2)c(OC)cc1Cl 2295882826 BHJBUEAFZLEZAQ-UHFFFAOYSA-N 453.995 6.656 50 10 JKGE CC(=O)Oc1ccc(C=C(C#N)c2nc(-c3cc4cc(Br)ccc4oc3=O)cs2)cc1 2296033255 WGDVQBJBTGSIOZ-UHFFFAOYSA-N 493.338 5.668 50 10 JKGE N#CC1=C(N)OC2=C(CCCC2=Cc2ccc(Br)cc2)[C@@H]1c1ccc(Br)cc1 2297109854 JBVAZYLNOKGSLO-NRFANRHFSA-N 498.218 6.541 50 10 JKGE N#CC(=Cc1ccc(OC(=O)c2ccc(Cl)cc2)cc1)C(=O)Nc1cc([N+](=O)[O-])ccc1F 2297551508 OPIYXULGBJROTM-UHFFFAOYSA-N 465.824 5.152 50 10 JKGE CC[C@@H]1OCC[C@@H]1[C@@H](Br)c1cc(Br)ccc1OCc1ccccc1 2299493067 KDOGTLCNTMCQAL-XKGZKEIXSA-N 454.202 6.279 50 10 JKGE Cn1nc(Br)c(Br)c1[C@H](Cl)c1cc(Br)c(Cl)s1 2301043538 FHJYKTJQPRCMFU-ZCFIWIBFSA-N 483.838 5.751 50 10 JKGE O=C(N[C@H](CCBr)COCc1ccccc1)c1cc(Cl)ccc1Br 2303544648 GQLGEBICGPPKAP-OAHLLOKOSA-N 475.608 5.203 50 10 JKGE Cc1ccc([C@H](Cl)c2cc(Br)ccc2OCc2ccccc2)cc1Br 2314450489 ZWSLMKFZIXFBLC-NRFANRHFSA-N 480.627 7.427 50 10 JKGE FC1(F)[C@H]([C@@H](Br)c2ccc(OCc3ccccc3)cc2Br)C12CCC2 2314454870 JSYUXCYHROAKPA-ZWKOTPCHSA-N 472.167 6.900 50 10 JKGE N#CC(=C(O)c1ccc(-c2cc(Cl)ccc2Cl)o1)c1nc(-c2ccc3ccccc3c2)cs1 2314457415 IRMKSHBXRKRIRP-UHFFFAOYSA-N 489.383 8.480 50 10 JKGE CCCCOc1cccc(-c2nn(-c3ccccc3)cc2C=C(C#N)S(=O)(=O)c2ccccc2)c1 2314476608 RPIUEWKZSPGWAL-UHFFFAOYSA-N 483.593 6.057 50 10 JKGE Cc1cc(Br)c(F)c(Br)c1[C@H](Br)C1(C(F)F)CC1 2317397262 AFLSWZARMOVVLT-JTQLQIEISA-N 450.918 6.140 50 10 JKGE CCCc1ccc([C@@H](Br)c2ccc(Cl)cc2I)s1 2317776745 ZMPFBDJONXVACU-AWEZNQCLSA-N 455.586 6.443 50 10 JKGE COc1cc([C@H](Cl)c2ccc(OCc3ccccc3)cc2Br)sc1Cl 2317956967 GJRDRNUEGVYGDV-GOSISDBHSA-N 458.204 7.080 50 10 JKGE Cc1nc(-c2ccc(F)cc2F)ccc1C(=O)NNC(=O)C=Cc1ccc(OCc2ccccc2)cc1 2321152222 DJOZGOTTYGEASA-UHFFFAOYSA-N 499.517 5.389 50 10 JKGE C[C@@H](C(O)=C(C#N)c1nc(-c2ccc3ccccc3c2)cs1)N1C(=O)c2ccccc2C1=O 2331237875 NZZWJANTYSJDCN-HNNXBMFYSA-N 451.507 5.441 50 10 JKGE Cc1ccccc1OCCCC(O)=C(C#N)c1nc(-c2cccc(Br)c2)cs1 2331279006 XZOJCUVWYBHBOD-UHFFFAOYSA-N 455.377 6.533 50 10 JKGE COc1ccc(C=C(C(O)=C(C#N)c2nc(-c3cc(C)ccc3C)cs2)c2ccccc2)cc1OC 2331319546 HXBZWPGLINMRDD-UHFFFAOYSA-N 494.616 7.478 50 10 JKGE COc1cc(Cl)c(C)cc1-c1csc(C(C#N)=C(O)C(=Cc2ccccc2)c2ccccc2)n1 2331390606 SEDPNLSTRKINJQ-UHFFFAOYSA-N 485.008 7.814 50 10 JKGE Cc1cc(C)c(-c2csc(C(C#N)=C(O)c3ccc4c(c3)C(=O)N(CC(C)C)C4=O)n2)c(C)c1 2331393059 LCJGXLZGSXSXLK-UHFFFAOYSA-N 471.582 5.937 50 10 JKGE CCCc1ccc(OCC(O)=C(C#N)c2nc(-c3cc(Cl)c(OC)c(Cl)c3)cs2)cc1 2331397525 MODWOEBEBDIFEV-UHFFFAOYSA-N 475.397 6.950 50 10 JKGE COc1ccc(-c2csc(C(C#N)=C(O)CCCOc3ccc(C(C)(C)C)cc3)n2)c2ccccc12 2331406519 VNSYJZHZXXXRJN-UHFFFAOYSA-N 498.648 7.921 50 10 JKGE COc1cc(C)c(-c2csc(C(C#N)=Cc3ccc(OCc4ccccc4C)cc3)n2)cc1C(C)C 2331464172 HNBTUXODZBBRGL-UHFFFAOYSA-N 494.660 8.202 50 10 JKGE CCCN[C@@H](c1c(C)c(Br)cc(C)c1Br)[C@@H]1C[C@@H]1Br 2332925987 VQVLWPGNYJNQEE-IFUGULHKSA-N 454.044 5.653 50 10 JKGE Cc1ccccc1P(N[C@@H]1CCCC[C@H]1NC(=O)NCc1ccccc1)c1ccccc1C 2333233170 WOQUTUYXZNXIBU-JWQCQUIFSA-N 459.574 5.051 50 10 JKGE CC(C=C[C@@H]1C(C)=CCCC1(C)C)=CC[P+](c1ccccc1)(c1ccccc1)c1ccccc1 2333256566 LLUROCTWOJDHOX-JGCGQSQUSA-N 465.641 7.866 50 10 JKGE CC1(C)CCC[C@@H]([C@H](Br)c2ccc(OCc3ccccc3)cc2Br)CC1 2336037600 FOGGNDABYAEIET-GCJKJVERSA-N 480.284 8.071 50 10 JKGE Fc1cccc(C[C@@H](Br)c2ccc(OCc3ccccc3)cc2Br)c1F 2336083295 JBOJIMVHHSGTLF-GOSISDBHSA-N 482.162 6.985 50 10 JKGE FC1(F)CCC[C@@H]2[C@@H]([C@@H](Br)c3cc(Br)ccc3OCc3ccccc3)[C@@H]21 2336086304 MKJRODWKJKCEGF-XLNTUCKNSA-N 486.194 7.146 50 10 JKGE CO[C@@H]1C[C@]2([C@@H](Br)c3c(Cl)cc(Br)c(F)c3Br)C[C@H]12 2337085017 SNPDZUQWULCYLY-BXPKGIBSSA-N 477.393 5.865 50 10 JKGE C[C@]1(C(F)F)C[C@H]1[C@@H](Br)c1c(Cl)cc(Br)c(F)c1Br 2337095583 CBTLYULEOBGJIT-HNMAKPFWSA-N 485.363 6.731 50 10 JKGE Clc1ccc(C[C@]2(CBr)CCC=CCCC2)c(I)c1 2341051653 QGGSQNDDYXCPMO-INIZCTEOSA-N 453.589 6.389 50 10 JKGE ClCc1cc(Cl)ccc1OCc1ccc(I)c(Br)c1 2349804018 PDVQUBCGKFUNDZ-UHFFFAOYSA-N 471.947 6.025 50 10 JKGE CCC[C@H](CC)CC(CBr)(CBr)c1ccc(Br)cc1 2353451841 ZEXDATBDRAUOKH-ZDUSSCGKSA-N 455.072 6.693 50 10 JKGE Brc1cc(OCc2ccccc2)ccc1[C@H](Br)[C@@H]1COc2ccccc2O1 2361200823 MZXNIMXKZNWRBY-VXKWHMMOSA-N 490.191 6.304 50 10 JKGE Cc1cc(Br)c(F)c(Br)c1[C@H](Br)[C@H]1CCC[C@@H]1C(C)C 2365191907 SHTJZFPUYIRQAI-UHIISALHSA-N 471.046 7.167 50 10 JKGE Cc1cc(Br)c(F)c(Br)c1[C@H](Br)C(F)(F)C1CCCC1 2365225430 JHSUQWPFNNNOJQ-ZDUSSCGKSA-N 478.972 6.921 50 10 JKGE COc1cc(Cl)c(CBr)c(N(C)CC2CCN(Cc3ccccc3)CC2)c1 2365801254 PFVPTFZRIOEZAM-UHFFFAOYSA-N 451.836 5.592 50 10 JKGE Clc1cc(Cl)cc(CC[C@@H](Br)c2c(Cl)sc(Cl)c2Cl)c1 2366792424 FSLIFOBWCCTJOM-SECBINFHSA-N 453.443 8.084 50 10 JKGE CC(C)(C)OC(=O)NC[C@@H]1CN(C[C@@](C)(CBr)C(C)(C)C)C[C@@H]1C(F)(F)F 2380195031 CYLJDUULQNCEFU-QWQRMKEZSA-N 459.391 5.069 50 10 JKGE COc1ccc(-c2nn(-c3ccccc3)cc2/C=C(\C#N)S(=O)(=O)c2ccc(C)cc2)cc1C 1480062 IQHSAUOWWBZCIY-PCLIKHOPSA-N 469.566 5.503 50 10 JKGE C/C(=N\NC(=O)COc1ccc2cc(Br)ccc2c1Br)C(C)(C)C 12491533 PWITXQFQOMJYEQ-SRZZPIQSSA-N 456.178 5.282 50 10 JKGE CC[C@H](Oc1ccc2ccccc2c1Br)C(=O)N/N=C/c1c[nH]c2ccccc12 20572860 BINVEVOVYHEGIH-MOYYISEASA-N 450.336 5.391 50 10 JKGE N#C/C(=C/c1ccc(N2N=C(c3ccccc3)C[C@H]2c2ccccc2)cc1)S(=O)(=O)c1ccccc1 29492356 JVAWBGIHMYVMIW-ZJZHBOIVSA-N 489.600 6.381 50 10 JKGE CCCCOc1ccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)COc4cc(C)cc(C)c4)ccc32)cc1 38650844 AKRDCNODJZCJML-LJAQVGFWSA-N 498.579 5.685 50 10 JKGE O=C(N/N=C/c1nc(-c2ccccc2Cl)c2cc(Br)ccc2n1)c1ccccc1 39899600 IUOPTLPAOPTHHF-DHRITJCHSA-N 465.738 5.477 50 10 JKGE Cc1c(C(=O)Nc2cccc([N+](=O)[O-])c2)oc2c1/C(=N/NC(=O)c1cccc3ccccc13)CCC2 40813604 BIWMKXOSQXYXAN-QUPMIFSKSA-N 482.496 5.372 50 10 JKGE CCCCNC(=O)/C(C#N)=C/c1ccc(OC(=O)COc2ccc(CCC)cc2Br)cc1 40993044 HCNVPNRVDYHEBR-XSFVSMFZSA-N 499.405 5.209 50 10 JKGE CCOc1ccc([C@H](O)CCC(=O)N/N=C\c2cc(C)n(-c3cc(Cl)ccc3OC)c2C)cc1 58894414 JAROZNALEGEESS-OPJDEBTLSA-N 483.996 5.119 50 10 JKGE O=C(CSCc1ccccc1)N/N=C1\C(=O)N(Cc2cccc3ccccc23)c2ccccc21 59146932 SYTFCPAUTYZLJF-IKPAITLHSA-N 465.578 5.140 50 10 JKGE CCCCCCOc1ccc(-c2nn(-c3ccccc3)cc2/C=C(/C#N)C(=O)N2CCN(C)CC2)cc1 96401981 RDWWANVAOGPWKO-DAFNUICNSA-N 497.643 5.179 50 10 JKGE N#C/C(=C\Nc1ccc(Cl)cc1Cl)c1nc(-c2ccc(Br)cc2)cs1 100394499 IQJRAAAMXCVLPC-FMIVXFBMSA-N 451.176 6.856 50 10 JKGE CC1=C(C#N)C(=O)N(C[C@H]2CCCO2)C(=O)/C1=C/c1ccc(-c2ccc(Cl)cc2Cl)o1 101149781 UQGCKHNKENJGAI-VHWUNXFSSA-N 457.313 5.025 50 10 JKGE Cc1cccc(OCCOc2ccc(/C=C(/C#N)C(=O)Nc3nc4ccccc4s3)cc2)c1 102444193 AZPMWLRNNOUQCE-SILNSSARSA-N 455.539 5.608 50 10 JKGE COc1c(Br)cc(Cl)cc1[C@H](Br)c1ccc(Br)o1 109836046 PUHUCCCWWOQSDO-NSHDSACASA-N 459.359 5.951 50 10 JKGE CC(C)Oc1cccc([C@H](Br)c2cc(Br)ccc2Br)c1 109844868 ORHXHDWVGKNJRT-INIZCTEOSA-N 463.007 6.483 50 10 JKGE Cc1cccc(C(CBr)(CBr)Cc2c(Cl)cccc2Cl)c1 118877497 NXALARZWVTXLSH-UHFFFAOYSA-N 451.029 6.572 50 10 JKGE CCOc1ccc([C@@H](Br)c2ccc(OC)c(Br)c2)c(Br)c1 123725621 HHCAKTKGIVDUJM-INIZCTEOSA-N 479.006 6.103 50 10 JKGE COc1ccc(Br)cc1[C@H](Br)c1c(F)cc(Br)cc1F 127638641 JVXZSIOSHHSHES-AWEZNQCLSA-N 470.933 5.983 50 10 JKGE COc1cc(/C=C(/C#N)C(=O)Nc2cccc(C(F)(F)F)c2)ccc1OCc1cccc(C)c1 207056765 LFJSULRDBQDWHP-NDENLUEZSA-N 466.459 6.147 50 10 JKGE CCCCNC(=O)/C(C#N)=C\c1ccc(OC(=O)c2ccccc2CCc2ccccc2)cc1 207079033 AHTONVWUOXFCEL-QQTULTPQSA-N 452.554 5.514 50 10 JKGE CCOc1ccc(CCN/C=C(/C#N)C(=O)Nc2ccccc2Sc2ccccc2)cc1OCC 217243801 VGBVVNJIPVSETF-XDOYNYLZSA-N 487.625 5.813 50 10 JKGE COc1ccc([C@@H](Br)c2ccc(Br)cc2F)c(OC)c1Br 224850488 CFIXDUCYJVJDHR-ZDUSSCGKSA-N 482.969 5.852 50 10 JKGE Brc1cc(Br)cc([C@@H](Br)c2cccc3ccccc23)c1 232482690 DNMJOWKUIHQLCD-QGZVFWFLSA-N 454.987 6.849 50 10 JKGE CC(C)(C)c1ccc([C@@H](Br)c2cc(Br)cc(Br)c2)cc1 232560641 MWFXYJUCYDLTSU-MRXNPFEDSA-N 461.035 6.993 50 10 JKGE CC[C@@H](C)c1ccc([C@H](Cl)c2cc(Br)ccc2I)cc1 233868709 WMJUXDNUOMVMQR-DIFFPNOSSA-N 463.584 6.895 50 10 JKGE Cc1sc([C@H](Br)c2ccc(Cl)c(Br)c2)cc1Br 235974264 XSHHCGHHVJPMON-GFCCVEGCSA-N 459.428 6.719 50 10 JKGE Fc1c(Br)cccc1[C@H](Cl)c1cc(Br)ccc1Br 236129215 RDFQHQXKCIECEG-LBPRGKRZSA-N 457.362 6.441 50 10 JKGE Fc1cc([C@@H](Br)c2cc(Cl)ccc2Br)c(F)cc1Br 236220995 CPRCRETVFMNGLF-ZDUSSCGKSA-N 475.352 6.628 50 10 JKGE CC(=NNC(=O)c1cc(C2CC2)nc2ccc(Br)cc12)c1ccc(Br)s1 252598975 DFZLRQZVDVJMAY-UHFFFAOYSA-N 493.224 5.853 50 10 JKGE CC1(C)[C@]2(C)CC[C@@]1(C(=O)Oc1ccc(-c3ccc(C#N)cc3)cc1)[C@@H](Br)C2=O 256018969 CUKGJUJWZUJTQA-IEXUWNMDSA-N 452.348 5.290 50 10 JKGE O=C(NC[C@H]1CCC[C@H](CBr)C1)c1cc(Br)sc1Br 311977791 NZKOARGYIQNIHE-IUCAKERBSA-N 474.056 5.204 50 10 JKGE CCOC(=O)NN=C1C=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 607746993 ZGBFIPQSPKDRKC-HZADPTAHSA-N 454.655 6.427 50 10 JKGE Cn1c(Cl)cnc1CC(CBr)(CBr)c1ccc(Br)cc1 700227830 PITMNSLEQWEPGT-UHFFFAOYSA-N 485.445 5.106 50 10 JKGE O=C(c1ccc(Br)cc1Br)N(CCBr)c1ccccc1 714534535 SLLZHCNLKBOJOQ-UHFFFAOYSA-N 461.979 5.253 50 10 JKGE Cc1ccc(-c2ccccc2)n1-c1ccc(C(=O)NN=Cc2ccc(-c3cccc(C(=O)O)c3)o2)cc1 1083937757 HJPRGWLRVIZDBD-UHFFFAOYSA-N 489.531 6.175 50 10 JKGE Cc1ccc(C=NNC(=O)CN(c2ccc(C(C)C)cc2)S(=O)(=O)c2ccccc2)c(C)c1C 1084566607 GZPLHYHUYKHJKT-UHFFFAOYSA-N 477.630 5.081 50 10 JKGE Cc1ccccc1C(=O)NN=C1CCCc2oc(C(=O)Nc3nc4ccccc4s3)c(C)c21 1772743490 CYBPAXGHIHKZDK-UHFFFAOYSA-N 458.543 5.229 50 10 JKGE CCN(CC)c1ccc([C@@H]2C(C#N)=C(N)Oc3c2c(C(F)(F)F)nn3-c2cccc(Cl)c2)cc1 1865701897 HNMSCTFQJXUNMA-LJQANCHMSA-N 487.913 5.609 50 10 JKGE CCCOc1ccccc1[C@@H]1C(C#N)=C(N)Oc2c1c(-c1ccccc1)nn2-c1cccc(Cl)c1 1865703319 SYPBXQIQAFTBPT-XMMPIXPASA-N 482.971 6.200 50 10 JKGE CCCn1nc(C(F)(F)F)c2c1OC(N)=C(C#N)[C@@H]2c1ccc(OCc2ccccc2Cl)cc1 1865703880 HXIFEFHJDIZIGN-IBGZPJMESA-N 488.897 5.762 50 10 JKGE COc1ccc([C@H]2C(C#N)=C(N)Oc3c2c(-c2ccccc2)nn3Cc2ccccc2Cl)cc1OC 1865707162 PMYUCVHHTLFMMR-DEOSSOPVSA-N 498.970 5.487 50 10 JKGE Cc1nncn1C1CCN(c2cc(Nc3ccc(SC#N)cc3)nc(-c3ccc(F)cc3)n2)CC1 1868454423 IZIIBGNEONKCTG-UHFFFAOYSA-N 486.580 5.341 50 10 JKGE CC(C)c1oc2cc(OCc3ccc(CCl)cc3)ccc2c(=O)c1-c1ccc(Cl)c(Cl)c1 1871436587 GUSRRIFIRTXTQN-UHFFFAOYSA-N 487.810 8.208 50 10 JKGE CC[C@@H](C)[C@@H](/C(O)=C(\C#N)c1nc(-c2cc(C)ccc2C)cs1)N1C(=O)c2ccccc2C1=O 1872749679 CDVPCISNMMLCEQ-HGIDEQORSA-N 471.582 5.931 50 10 JKGE CCOc1ccc(OCC)c(-c2csc(/C(C#N)=C(\O)c3cccc(OC(C)=O)c3)n2)c1 1872754815 KEYNKHKBBLZMDH-ATJXCDBQSA-N 450.516 5.483 50 10 JKGE COc1c(C)cc(C)cc1-c1csc(/C(C#N)=C(\O)c2ccc3c(c2)C(=O)N(C(C)(C)C)C3=O)n1 1872755112 YXHKRAWIOSWVKP-XDOYNYLZSA-N 487.581 5.780 50 10 JKGE COc1ccc(Cl)cc1-c1csc(/C(C#N)=C(\O)C(c2ccccc2)c2ccccc2)n1 1872758585 HRNFICITONTQGB-DAFNUICNSA-N 458.970 7.097 50 10 JKGE COc1cc(/C(O)=C(\C#N)c2nc(-c3cc(Cl)ccc3OC)cs2)c([N+](=O)[O-])cc1OC 1872758640 JKQLPKIMJZLVDW-ZHZULCJRSA-N 473.894 5.347 50 10 JKGE CC(C)(C)OC(=O)N[C@H](CBr)[C@H]1CN(C(=O)OC(C)(C)C)C2(CCCCC2)C1 1885097607 SFFMMWMTLOSHBJ-HZPDHXFCSA-N 461.441 5.235 50 10 JKGE COc1ccccc1[C@@H](Br)c1sc(Br)c(C)c1Br 1922947190 ZIYXDCFGHQZVBR-LLVKDONJSA-N 455.009 6.074 50 10 JKGE Cc1c(Br)sc([C@H](Br)c2cc(F)cc(F)c2)c1Br 1922954084 KTVVACLALVKNRK-SNVBAGLBSA-N 460.963 6.344 50 10 JKGE Clc1c(Br)sc(Br)c1[C@@H](Br)[C@H]1Cc2ccccc21 1923050203 RELDAFVLIGUROM-WPRPVWTQSA-N 471.439 6.702 50 10 JKGE Clc1sc(Br)c(Cl)c1[C@H](Br)c1ccc(Br)s1 1925569379 SQEMEOWOMSEGBZ-ZCFIWIBFSA-N 485.875 7.126 50 10 JKGE Clc1sc(Br)c(Cl)c1[C@H](Br)[C@H]1CCCc2ccccc21 1925599487 NMCQXPSLZLJPKH-CMPLNLGQSA-N 455.042 7.374 50 10 JKGE Cc1cc(Br)c(CBr)c(N2CC[C@@H](COCc3ccccc3)C2)c1 2005453388 XMIXQRFYFYRYEA-QGZVFWFLSA-N 453.218 5.696 50 10 JKGE Cc1cc([C@H](Br)c2ccc(Br)cc2I)c(C)s1 2026220055 BATDYGKYVLBZOA-CYBMUJFWSA-N 486.010 6.216 50 10 JKGE FC1(F)CN(Cc2ccccc2)CCN(c2ccc(CBr)cc2Br)C1 2032240593 OSNUIYCFFWNXAR-UHFFFAOYSA-N 474.187 5.302 50 10 JKGE COc1c(Cl)cc(Br)cc1[C@@H](Br)c1ccc(Br)s1 2082859234 PIRJJHALHDTELG-LLVKDONJSA-N 475.427 6.419 50 10 JKGE Cc1sc(Br)c([C@@H](Br)c2c(F)cccc2Br)c1C 2082886955 ZSFDGQLNZXBDIJ-GFCCVEGCSA-N 457.000 6.513 50 10 JKGE Fc1cc(Cl)c([C@@H](Br)c2c(Cl)sc(Br)c2Cl)cc1F 2112345029 SVSMWYFDBABOLL-MRVPVSSYSA-N 471.375 7.233 50 10 JKGE Cc1nc([C@@H](Br)c2cc(Br)c3c(c2)CCO3)c(Br)s1 2113188527 AAASUEOCWYUGHH-JTQLQIEISA-N 468.008 5.396 50 10 JKGE Fc1ccc([C@H](CBr)Cc2cc(Br)ccc2Br)cc1 2118525745 XKRITVFLCSJGMZ-LBPRGKRZSA-N 450.971 6.072 50 10 JKGE CC1(C)CC[C@@H](Br)[C@@H](Cc2c(Br)cccc2Br)CC1 2122926843 GGTAOJDGGDLQJL-DGCLKSJQSA-N 453.056 6.734 50 10 JKGE Cc1cc(Br)c(C)c([C@@H](Br)CC2CCOCC2)c1Br 2136377487 PKCPIRQXLZPSSM-ZDUSSCGKSA-N 455.028 6.081 50 10 JKGE Cc1c(Cl)cc([C@@H](Cl)c2ccc(Br)cc2Br)cc1Br 2138852621 SZLUQHOPKYZZJV-CQSZACIVSA-N 487.844 7.264 50 10 JKGE Cc1c(Br)ccc([C@@H](Br)[C@@H]2CCCC(C)(C)C2)c1Br 2138869572 BBWUTFFWNKYDGZ-ABAIWWIYSA-N 453.056 7.172 50 10 JKGE O=[N+]([O-])c1ccc(C[C@H](Br)c2c(Br)cccc2Br)cc1 2150504374 WAFINZWSPVRRCU-ZDUSSCGKSA-N 463.951 5.799 50 10 JKGE CCn1ncc(Br)c1[C@H](Br)c1cc(Br)c(C)cc1OC 2150669654 ZGDSJWHCAVVFJD-CYBMUJFWSA-N 466.999 5.229 50 10 JKGE O=C(c1cc(Br)sc1Br)N1CCC2(CCC2)[C@@H](CBr)C1 2151650072 DFDRQHZROATMFH-VIFPVBQESA-N 486.067 5.300 50 10 JKGE CCCC(CBr)(CCC)CN1C[C@H](CC)N(C(=O)OCc2ccccc2)C[C@@H]1CC 2162985324 HIZIEWPFJTTYQR-GOTSBHOMSA-N 481.519 6.480 50 10 JKGE C[C@@H]1C[C@@H](n2c(CCl)nc3cc(Cl)c(Br)cc32)CCN1Cc1ccccc1 2168999708 WREKQGMZSGEZAU-ZBFHGGJFSA-N 467.238 6.417 50 10 JKGE FC(F)(F)[C@]1(CBr)CCN(Cc2cc(Br)ccc2Br)C1 2175140283 SPMHINHYCBOZEH-LBPRGKRZSA-N 479.960 5.361 50 10 JKGE BrCC(CBr)(CC12CCC(CC1)C2)c1ccccc1Br 2184966023 BBVWTFRDKZYJOS-UHFFFAOYSA-N 465.067 6.447 50 10 JKGE Cc1cc(Br)c(C)c([C@@H](Cl)c2ccc(F)c(Br)c2)c1Br 2201078342 NBDIJGRGGHGXLD-HNNXBMFYSA-N 485.416 7.058 50 10 JKGE Fc1cc(F)c([C@@H](Br)c2cc(Br)c(Br)cc2F)c(F)c1 2233974535 FUEPEAZHQIPOBH-ZDUSSCGKSA-N 476.887 6.252 50 10 JKGE Cc1ccc([C@H](Br)c2c(Br)cc(C)c(Br)c2C)cc1C 2235599171 LAOJKBFDXOQXRI-KRWDZBQOSA-N 461.035 6.930 50 10 JKGE O=C(c1csc(Br)c1Br)N1C[C@@H]2CCCC[C@@]2(CBr)C1 2238793646 FZPMYDAEHBRMAC-LKFCYVNXSA-N 486.067 5.300 50 10 JKGE O=C(c1cccc(Br)c1Br)N1C[C@H](Br)CC12CCCC2 2241028948 DUNPKRSDABFQTJ-SNVBAGLBSA-N 466.011 5.134 50 10 JKGE Cc1cc([C@@H](Br)c2c(F)cccc2I)c(C)cc1Br 2267740410 PMOYDFLAHGADTF-OAHLLOKOSA-N 497.971 6.294 50 10 JKGE Fc1cccc(I)c1[C@H](Cl)c1cc(C2CC2)c(Br)s1 2267742064 YODXWXOTVUCTRS-CYBMUJFWSA-N 471.560 6.460 50 10 JKGE C=CC[C@]1(CBr)CCN(C(=O)c2csc(Br)c2Br)C1 2272172583 JLNFBQZSPLZJDV-CYBMUJFWSA-N 472.040 5.076 50 10 JKGE Fc1cc(Br)c(F)c(Br)c1[C@H](Br)[C@H]1CCCC1(F)F 2272741045 SRFYDRXFYHLVOX-MLUIRONXSA-N 468.908 6.361 50 10 JKGE C=CC[C@@]1(CBr)CCCN1C(=O)c1cc(Br)ccc1Br 2287752180 FHSRTWNHNIJOIY-HNNXBMFYSA-N 466.011 5.157 50 10 JKGE COc1ccc(Cl)cc1NC(=O)C(C#N)=Cc1c[nH]nc1-c1ccc(Br)cc1 2295326928 IQNRUXSIEJTQPG-UHFFFAOYSA-N 457.715 5.047 50 10 JKGE CCc1nn(C)c([C@H](Cl)Cc2cc(Br)cc(Br)c2)c1Br 2295332813 BKVXTABHOWNXSR-LLVKDONJSA-N 485.445 5.793 50 10 JKGE N#CC(=CC=Cc1ccc([N+](=O)[O-])cc1)c1nc(-c2cc3cc([N+](=O)[O-])ccc3oc2=O)cs1 2296801442 IKVUARUJULETEO-UHFFFAOYSA-N 472.438 5.353 50 10 JKGE CCCCCCCCOc1ccc(C=C(C#N)c2nc(-c3ccc(-c4ccccc4)cc3)cs2)cc1 2297316029 UTPRXNZHLBLPGZ-UHFFFAOYSA-N 492.688 9.281 50 10 JKGE Cc1cc([N+](=O)[O-])ccc1NC=C(C#N)c1nc(-c2cc3c(ccc4ccccc43)oc2=O)cs1 2297449099 SREAWDIVKOOQCS-UHFFFAOYSA-N 480.505 6.263 50 10 JKGE COc1cc(C=C(C#N)C(=O)Nc2ccc(C)c(C)c2)ccc1Oc1nc(Cl)ncc1F 2297533623 YCIGQYNHINSYLI-UHFFFAOYSA-N 452.873 5.233 50 10 JKGE Brc1cc(OCc2ccccc2)ccc1[C@H](Br)[C@H]1C[C@@H]2C[C@@H]2CO1 2299493353 GBKYKWAYQHOUHH-BWMZKYQQSA-N 452.186 5.889 50 10 JKGE CC1([C@H](Br)c2ccc(OCc3ccccc3)cc2Br)CC(F)(F)C1 2299536153 WVQXYHSDURZNJY-QGZVFWFLSA-N 460.156 6.900 50 10 JKGE Cl[C@@H](C[C@H]1CCC[C@@H]2C[C@H]12)c1c(Br)sc(Br)c1Br 2309957723 MANJNMNHAPHPQW-HXFLIBJXSA-N 477.487 7.142 50 10 JKGE Cc1ccc(NC(=O)C(C#N)=Cc2cc(C)n(-c3ccc(OCc4ccccc4Cl)cc3)c2C)cc1 2313567667 KBXXBDIXNPYDJH-UHFFFAOYSA-N 496.010 7.181 50 10 JKGE COc1ccc(C(=O)Oc2cccc(C=C(C#N)C(=O)Nc3cc([N+](=O)[O-])ccc3Cl)c2)cc1 2313676892 UNRJJPBAMCEUQW-UHFFFAOYSA-N 477.860 5.022 50 10 JKGE Cl[C@H](Cc1cccc(Br)c1)c1ccc(OCc2ccccc2)cc1Br 2314453204 UKYWWHUQGZDFCF-OAQYLSRUSA-N 480.627 7.313 50 10 JKGE Cc1cc(C)cc(Oc2nc3ccccn3c(=O)c2C=C(C#N)C(=O)Nc2ccc(Cl)cc2)c1 2314532276 INHQJHLASKCQFT-UHFFFAOYSA-N 470.916 5.303 50 10 JKGE N#CC1=C(N)Oc2cc(OC(=O)C=Cc3ccccc3)ccc2[C@@H]1c1ccc(Br)cc1 2314634147 RDMDEUQWLIIROL-DEOSSOPVSA-N 473.326 5.286 50 10 JKGE COc1cc(C=C(C#N)c2ccc(Cl)cc2)ccc1OC(=O)COc1ccc(C(C)C)c(C)c1 2314735662 XRUHYMUKJJTJRS-UHFFFAOYSA-N 475.972 6.829 50 10 JKGE Cc1sc([C@@H](Br)c2c(Br)nc(C)n2C)c(Br)c1C 2315632988 HLUXBJIXYIESHN-VIFPVBQESA-N 457.029 5.416 50 10 JKGE COc1cc(C=C(C#N)c2ccc(Cl)cc2)ccc1OC(=O)CC(c1ccccc1)c1ccccc1 2320506802 RWNNZHWBSSCQBF-UHFFFAOYSA-N 493.990 7.540 50 10 JKGE CC(C)(C)OC(=O)N1CCC[C@H](C(=O)NN=Cc2ccc(OCc3ccccc3Cl)cc2)C1 2321721494 QUCYTGOKCOPBKQ-IBGZPJMESA-N 471.985 5.016 50 10 JKGE CCOc1cc(C=NNC(=O)Cc2ccc(Cl)cc2)ccc1OCc1cc(C)ccc1C 2323345265 FIZIQUYCWFPBFY-UHFFFAOYSA-N 450.966 5.627 50 10 JKGE C[C@@H]1CC[C@H](CBr)N(Cc2ccc(I)c(Br)c2)C1 2325223444 XUPUERATPWFUQS-ZYHUDNBSSA-N 487.017 5.049 50 10 JKGE CC(C)CN1C(=O)c2ccc(C(O)=C(C#N)c3nc(-c4ccc5c(c4)CCCC5)cs3)cc2C1=O 2331240048 KFRSTNUWLPSKMA-UHFFFAOYSA-N 483.593 5.891 50 10 JKGE COc1ccc(-c2csc(C(C#N)=C(O)[C@@H](C)Oc3ccc(Cl)cc3Cl)n2)cc1C 2331259955 ZAQPTBKEZPFHMD-CYBMUJFWSA-N 461.370 6.694 50 10 JKGE CCOc1ccc(C=C(C(O)=C(C#N)c2nc(-c3ccccc3OC)cs2)c2ccccc2)cc1 2331281922 HDPWZARARISMJU-UHFFFAOYSA-N 480.589 7.251 50 10 JKGE CCOc1ccc(-c2csc(C(C#N)=C(O)CNC(=O)c3ccc(C(C)(C)C)cc3)n2)cc1 2331305266 KEMOAVHMDCWULN-UHFFFAOYSA-N 461.587 5.729 50 10 JKGE COc1ccc(OC)c(-c2csc(C(C#N)=C(O)CNC(=O)c3ccc(C(C)(C)C)cc3)n2)c1 2331325068 FQXJHNRSCGNKSW-UHFFFAOYSA-N 477.586 5.347 50 10 JKGE Cc1cccc(N2C(=O)c3ccc(C(O)=C(C#N)c4nc(-c5cccs5)cs4)cc3C2=O)c1C 2331326581 JIHWMMJXJVZDMR-UHFFFAOYSA-N 483.574 6.239 50 10 JKGE N#CC(=C(O)c1ccc(N2C(=O)c3ccccc3C2=O)cc1)c1nc(-c2cccc3ccccc23)cs1 2331337993 PMRRQSBQCGQPFS-UHFFFAOYSA-N 499.551 6.714 50 10 JKGE CCCCCCCOc1ccc(-c2csc(C(C#N)=C(O)c3ccc(-c4ccccc4)cc3)n2)cc1 2331344858 SZIZJLSELSXIDF-UHFFFAOYSA-N 494.660 8.776 50 10 JKGE CCOc1ccc(C=C(C(O)=C(C#N)c2nc(-c3c[nH]c4ccccc34)cs2)c2ccccc2)cc1 2331347104 VZWXIDSLDSMADG-UHFFFAOYSA-N 489.600 7.724 50 10 JKGE C[C@@H](Oc1ccc(Cl)cc1Br)C(O)=C(C#N)c1nc(-c2ccc(F)c(F)c2)cs1 2331351851 GVGRZNYSBQLZCC-SNVBAGLBSA-N 497.748 6.764 50 10 JKGE CCOc1ccc(-c2csc(C(C#N)=C(O)c3cc([N+](=O)[O-])c(C)c([N+](=O)[O-])c3)n2)c(OCC)c1 2331389266 KFDQZRQXNWTFBL-UHFFFAOYSA-N 496.501 5.682 50 10 JKGE CCCOc1ccc(C=C(C#N)c2nc(-c3ccc(OCC)cc3OCC)cs2)cc1OCC 2331473754 ZTGBKDVVTXGNRU-UHFFFAOYSA-N 478.614 6.859 50 10 JKGE Fc1c(Br)cc(Cl)c([C@H](Br)[C@@H]2C[C@H]3C[C@H]3CO2)c1Br 2337112223 QZVNGQDVTZUNJI-DWCSTSAWSA-N 477.393 5.865 50 10 JKGE CN(CC[C@H](Br)c1ccccc1)Cc1sccc1I 2338762118 DVRUHYZDSCYMJK-ZDUSSCGKSA-N 450.183 5.311 50 10 JKGE Cc1cc(Br)c(F)c(Br)c1[C@H](Br)C[C@H]1CCO[C@@H]1C 2339656244 LXJLOLUUODFMOK-OPRDCNLKSA-N 458.991 5.910 50 10 JKGE BrCc1cc(Br)c(O[C@H](CC2CC2)C2CC2)c(Br)c1 2343841247 RCHMYSAIFIPHBO-CQSZACIVSA-N 453.012 6.064 50 10 JKGE C[C@H](c1ccncc1F)[C@H](Br)c1ccc(I)c(Cl)c1 2344692097 JJEQWBULUCAQPD-CLAHSXSESA-N 454.508 5.718 50 10 JKGE C[C@@H](Cl)CN(Cc1ccc(I)c(Br)c1)CC(C)(C)C 2349834393 ZILXTWNMUPNMOH-LLVKDONJSA-N 458.609 5.529 50 10 JKGE ClC[C@@H](Cc1cc(I)ccc1Cl)c1ccc(Br)cc1 2352369561 GCIRTCQVNWWEQU-GFCCVEGCSA-N 469.975 6.272 50 10 JKGE Clc1ccc(I)cc1CN[C@H](CBr)C1CCCCC1 2352418305 TWRVEDCVZYUNCL-OAHLLOKOSA-N 456.593 5.378 50 10 JKGE Cc1ccc(Br)cc1[C@H](Cl)c1c(F)cc(Cl)c(Br)c1Cl 2360428593 HLJZSBBXLBBCPX-ZDUSSCGKSA-N 461.383 7.294 50 10 JKGE Fc1cc(Cl)c(Br)c(Cl)c1[C@H](Br)[C@H]1CC[C@@H]1C(F)(F)F 2360436092 NURXPPTVNJBCGX-DQSPEZDDSA-N 458.902 6.920 50 10 JKGE Cc1c(Cl)cc(CNCC(F)(F)C(F)(F)CI)cc1Br 2361680146 UJESVBROWNDBNT-UHFFFAOYSA-N 488.488 5.206 50 10 JKGE COc1cc(Cl)c(CBr)c(OCc2cccc(I)c2)c1 2367536053 DZYKEWGHDJTTJB-UHFFFAOYSA-N 467.528 5.427 50 10 JKGE COc1c(F)cc([C@H](Br)c2cc(C)ccc2I)cc1F 2370444023 CDOGWYORHQZABW-AWEZNQCLSA-N 453.064 5.371 50 10 JKGE CC(C)(C)OC(=O)Nc1ccc([S@@](C)(=O)=NC[C@@](C)(CBr)C(C)(C)C)cc1 2380199935 PZCWYUKTVLDOCD-NFQMXDRXSA-N 461.466 5.938 50 10 JKGE CCOC(=O)c1c(-c2ccc(CC)cc2)csc1NC(=O)/C(C#N)=C/c1ccccc1OC 1974910 BBTZDYRSLSAMDM-XSFVSMFZSA-N 460.555 5.708 50 10 JKGE COc1cc(/C=N/NC(=O)c2ccc(N)cc2)cc(Br)c1OCc1ccccc1Cl 2946032 ANTMGHCRQZPVIZ-RPPGKUMJSA-N 488.769 5.036 50 10 JKGE COc1cc(C=NNC(=O)c2cc3c(ccc4ccccc43)o2)cc(Br)c1OC 8437583 JTOHPKMEPPQZGI-UHFFFAOYSA-N 453.292 5.130 50 10 JKGE Cc1ccc(C(=O)Oc2ccc(/C=C(/C#N)C(=O)Nc3cc(Cl)ccc3Cl)cc2)cc1 35179552 PKRVTWKMKSHGGZ-PDGQHHTCSA-N 451.309 6.067 50 10 JKGE COc1cc(CBr)cc(Br)c1OCc1ccc(Br)cc1 36815502 WJVOSOBREAIZCN-UHFFFAOYSA-N 464.979 5.694 50 10 JKGE COc1ccc(OC)c([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4oc5ccccc5c4C)ccc32)c1 38688740 LUYPYAJBDRYTAX-RUZDIDTESA-N 482.492 5.196 50 10 JKGE CCOc1ccc(NC(=O)/C(C#N)=C\c2ccc(OC)c(OCc3cccc(C(F)(F)F)c3)c2)cc1 96504356 SWVHRCNRZBXLBC-MOSHPQCFSA-N 496.485 6.237 50 10 JKGE CCc1ccc(N2C(=O)[C@@H](Cc3ccc(C)c(C)c3)S/C2=C(/C#N)C(=O)NCc2ccco2)cc1 101242061 SLEOKSUXKBPWOJ-IEQIIXMPSA-N 485.609 5.202 50 10 JKGE CCCCCCOC(=O)c1ccccc1N/C=C(/C#N)c1nc(-c2cc3ccccc3oc2=O)cs1 102417287 JCQXVPLZYCLGHU-JZJYNLBNSA-N 499.592 6.630 50 10 JKGE Cc1cc(Br)c([C@H](Br)c2cccc(I)c2)s1 114542650 KBXJDFQVAYHOHH-LLVKDONJSA-N 471.983 5.908 50 10 JKGE COc1cc(C)c(Br)cc1[C@H](Br)c1cc(F)cc(Br)c1 115867275 VYWDHWSANMVUDS-OAHLLOKOSA-N 466.970 6.152 50 10 JKGE Cc1ccc(C(CBr)(CBr)Cc2sccc2Br)cc1 118670792 QKZAGOVUUAVBDV-UHFFFAOYSA-N 467.064 6.089 50 10 JKGE O=C(NC1(CBr)CCCCC1)c1cc(Br)c(Br)s1 124634218 WEIXWLLXQIDXCT-UHFFFAOYSA-N 460.029 5.101 50 10 JKGE N#C/C(=C/NCCc1ccc(Br)cc1)C(=O)Nc1ccc(Oc2ccccc2)cc1 217212386 PIUAKNUTWBTIBO-ZPHPHTNESA-N 462.347 5.420 50 10 JKGE CCCOc1ccc([C@H](Cl)c2ccc(I)cc2)cc1Br 229003216 OQNTWJFWJOGBDC-MRXNPFEDSA-N 465.556 6.171 50 10 JKGE CC(C)(C)[C@H]1CC2=C(OC(N)=C(C#N)[C@@H]2c2ccccc2Cl)/C(=C\c2ccccc2Cl)C1 229785715 DCDCHBSBVCLMAN-QDFHVBMASA-N 465.424 7.595 50 10 JKGE Brc1ccc([C@H](Br)c2csc3ccccc23)c(Br)c1 232482667 BEJVKIJDMIIDNX-HNNXBMFYSA-N 461.016 6.911 50 10 JKGE COc1cc([C@@H](Br)c2csc(Br)c2)c(OC)cc1Br 234978673 WGGRSAWIGVTWEH-ZDUSSCGKSA-N 471.008 5.775 50 10 JKGE O=C(CSc1cccc2ccccc12)NN=Cc1ccccc1OCc1cccc2ccccc12 254616795 DGNKFZQKYJDJBV-UHFFFAOYSA-N 476.601 6.814 50 10 JKGE COc1ccccc1C=NNC(=O)CSc1nnc(SCc2cccc3ccccc23)s1 263630854 MYEXSQUQENRKCH-UHFFFAOYSA-N 480.640 5.235 50 10 JKGE Clc1sc([C@H](Br)c2sccc2I)cc1Br 306957800 UNHICMWQNDNAMU-ZETCQYMHSA-N 498.430 6.314 50 10 JKGE Fc1ccc([C@H](Br)c2scc(C(F)(F)F)c2Br)cc1Cl 312444706 XMRREEWVWMPJCA-VIFPVBQESA-N 452.492 6.806 50 10 JKGE C[C@]1(n2c(CCl)nc3cc(I)ccc32)CCN(Cc2ccccc2)C1 406150729 VTFZWWCTBSDCLU-FQEVSTJZSA-N 465.766 5.001 50 10 JKGE CC(C)(C)[Si](C)(C)OCc1ccc([C@@H]2CCc3ccccc3N2S(=O)(=O)c2ccccc2)cc1 616594431 HMQVWUJQIKTLEV-MHZLTWQESA-N 493.745 7.091 50 10 JKGE C[C@@H](CC(F)F)CC(CBr)(CBr)c1ccc(Br)cc1 687833642 OCYZGMIYVQBRJR-JTQLQIEISA-N 462.998 6.158 50 10 JKGE COc1cc(F)c(Br)cc1[C@H](Cl)c1scc(Br)c1Br 705470307 ZHKMEZMOGVQGAC-NSHDSACASA-N 493.417 6.512 50 10 JKGE CC1(C)CO[C@@H](CC(CBr)(CBr)c2ccc(Br)cc2)C1 708416457 XRFGHOABIPIEIY-CQSZACIVSA-N 469.055 5.682 50 10 JKGE COc1cc(/C=C\C(=O)Cl)cc(Br)c1OCc1ccc(Cl)cc1Cl 1081475880 HZLPJGXQWHXFMS-DJWKRKHSSA-N 450.543 6.122 50 10 JKGE COc1ccc(C(=O)Oc2ccc(/C=C(/C#N)C(=O)Nc3cccc(Cl)c3Cl)cc2)cc1 1083969282 ZLPBYHBQDLRCFN-LGMDPLHJSA-N 467.308 5.767 50 10 JKGE Cc1cc(Br)cc(Br)c1OCC(=O)NN=Cc1ccc(C(C)C)cc1 1084231275 LYWQWNVHNCQKMT-UHFFFAOYSA-N 468.189 5.173 50 10 JKGE O=C(Cc1cccc2ccccc12)NN=Cc1ccccc1Oc1ccc(C(F)(F)F)cc1[N+](=O)[O-] 1084247259 LGJUZYVUKDPOEA-UHFFFAOYSA-N 493.441 6.252 50 10 JKGE O=C(NN=Cc1ccccc1OCc1cccc2ccccc12)C(O)(c1ccccc1)c1ccccc1 1084448528 JYHOTUKNOUMRBC-UHFFFAOYSA-N 486.571 5.805 50 10 JKGE Cc1c(C(=O)N2c3ccccc3C[C@H]2C)oc2c1C(=NNC(=O)c1cccc(Cl)c1)CCC2 1772746560 XGFNORNHNUCKKB-OAHLLOKOSA-N 461.949 5.303 50 10 JKGE Cc1occc1C(=O)NN=C1CCCc2oc(C(=O)Oc3ccc(Cl)cc3Cl)c(C)c21 1772748107 AEEXEEOLMHRXPU-UHFFFAOYSA-N 461.301 5.486 50 10 JKGE Cc1c(C(=O)N2CCCC[C@@H]2C)oc2c1C(=NNC(=O)COc1ccc(Cl)cc1Cl)CCC2 1772749931 SCHUQTGKWLHKSO-AWEZNQCLSA-N 492.403 5.145 50 10 JKGE CCCCOc1ccc([C@@H]2C(C#N)=C(N)Oc3c2c(CC)nn3-c2ccc(C)cc2)cc1OCC 1865686996 HCNMJAUGRAEVTP-RUZDIDTESA-N 472.589 5.539 50 10 JKGE CCCc1nn(Cc2cccc(Cl)c2)c2c1[C@H](c1cc(Cl)ccc1O)C(C#N)=C(N)O2 1865689091 JQZSKTOBRWKELT-HXUWFJFHSA-N 455.345 5.114 50 10 JKGE CCCOc1ccc([C@@H]2C(C#N)=C(N)Oc3c2c(CC)nn3Cc2ccccc2Cl)cc1OCC 1865691239 NNYRIBSSIBNZPF-XMMPIXPASA-N 493.007 5.553 50 10 JKGE Cc1ccc(COc2ccc([C@H]3C(C#N)=C(N)Oc4c3c(C)nn4-c3cccc4ccccc34)cc2)cc1 1865692340 FATAMBUUDMQWRW-PMERELPUSA-N 498.586 6.440 50 10 JKGE COc1cc([C@H]2C(C#N)=C(N)Oc3c2c(C)nn3-c2ccc(Cl)c(Cl)c2)cc(Cl)c1O 1865707535 YVVCEAXOJFZHEA-SFHVURJKSA-N 477.735 5.073 50 10 JKGE N#CSc1ccc(NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)C[C@H](c2ccccc2)C2CC2)cc1 1866712594 RWUSAHQUYSREKK-FTJBHMTQSA-N 485.609 5.215 50 10 JKGE Cc1ccc2cc3c(nc2c1)N(c1cc(Nc2ccc(SC#N)cc2)nc(C(C)C)n1)CC3 1868231973 YQAMDQXPPDZYIC-UHFFFAOYSA-N 452.587 6.468 50 10 JKGE CCc1nc(Nc2ccc(SC#N)cc2)cc(N2CCc3ccccc3[C@@H]2c2cccc(F)c2)n1 1868278205 VZYQZBBUFRDKOO-NDEPHWFRSA-N 481.600 6.647 50 10 JKGE COc1cccc(/C=C(\C#N)c2nc3cc(C)ccc3n2C)c1OCc1ccc(Br)cc1 1872728353 YKFYUMXVIIOJEZ-XSFVSMFZSA-N 488.385 6.296 50 10 JKGE COc1cccc(-c2csc(/C(C#N)=C(\O)CCCOc3cc(C)c(Cl)c(C)c3)n2)c1 1872744025 DSTIZSJTWIWQTA-XDOYNYLZSA-N 454.979 6.741 50 10 JKGE COc1ccc(-c2csc(/C(C#N)=C(\O)CNC(=O)c3ccc(Cl)cc3Cl)n2)cc1OC 1872745617 VXEGAXIYOFFYNX-SDXDJHTJSA-N 490.368 5.357 50 10 JKGE CCc1cccc(C)c1N1C[C@@H](/C(O)=C(\C#N)c2nc(-c3cc(C)cc(C)c3OC)cs2)CC1=O 1872754997 UEGAUCXHXQUYSR-QXUWJFDOSA-N 487.625 6.152 50 10 JKGE CCOc1ccc(OCC)c(-c2csc(/C(C#N)=C(\O)COc3cccc(C)c3C)n2)c1 1872755097 YIRJKBCXURNIIQ-XDOYNYLZSA-N 450.560 6.096 50 10 JKGE COc1cc(Cl)c(C)cc1-c1csc(/C(C#N)=C(\O)Cc2ccc(Br)cc2)n1 1872755349 JELWMWSZIKQHMS-MNDPQUGUSA-N 475.795 6.578 50 10 JKGE CCOc1ccc(/C=C/C(O)=C(\C#N)c2nc(-c3cc(C)c(Cl)cc3OC)cs2)cc1 1872757013 MHQUCMTWCUORFI-OCEZQBILSA-N 452.963 6.685 50 10 JKGE COc1cc(Cl)c(C)cc1-c1csc(/C(C#N)=C(\O)CCCCCNC(=O)c2ccccc2)n1 1872757106 QQWVKMQPQHWYKF-ATJXCDBQSA-N 496.032 6.564 50 10 JKGE COc1ccc(-c2csc(/C(C#N)=C(\O)CNC(=O)c3ccc(C(C)(C)C)cc3)n2)cc1Cl 1872757552 KZOZCIBZHWHUAT-UZYVYHOESA-N 482.005 5.992 50 10 JKGE COc1c(Cl)cc(-c2csc([C@@H](C#N)C(=O)/C(C#N)=C/c3ccccc3)n2)cc1Cl 1872785144 GRDOWIQNXDGXHB-NHKNYXOTSA-N 454.338 5.909 50 10 JKGE CCCCCOc1ccc(/C=C(\C#N)c2nc(-c3cc(C(C)(C)C)ccc3OC)cs2)cc1OC 1872793048 FRHSCAZRSJQXTG-RCCKNPSSSA-N 490.669 7.758 50 10 JKGE COc1ccc(C)cc1-c1csc(/C(C#N)=C(\O)c2ccc3c(c2)C(=O)N(C(C)(C)C)C3=O)n1 1873921020 QDGBZSCNLWOUIL-QOCHGBHMSA-N 473.554 5.472 50 10 JKGE C[C@@]1(COc2c(Br)cc(CBr)cc2Br)CCCOC1 1877697737 WGPUNWVBPOPKDU-CQSZACIVSA-N 457.000 5.302 50 10 JKGE BrCc1cc(Br)c(OC[C@]23C[C@H](CCO2)C3)c(Br)c1 1879266592 HVGGAISLNAQALQ-DEZZCRIOSA-N 454.984 5.054 50 10 JKGE Cl[C@@H]1C[C@@H]1[C@@H](Br)c1c(Br)sc(Br)c1Br 1893445904 HRBBTAJZDBFGTD-GDGKWOGESA-N 488.264 6.099 50 10 JKGE O=C1c2ccccc2C(=O)N1C[C@H](Cl)CCc1ccc(Br)cc1Br 1905344606 VTBFSKYWMPHODW-CYBMUJFWSA-N 471.576 5.048 50 10 JKGE Cc1sc(C)c(S(=O)(=O)N(Cc2ccccc2)[C@@H](C)CCCl)c1Br 1915074996 YVTGWQLULQOSLD-LBPRGKRZSA-N 450.851 5.336 50 10 JKGE C[C@@H](CCBr)N(Cc1ccccc1)Cc1ccc(I)cc1 1915104977 FNXHMLFBLITNPD-HNNXBMFYSA-N 458.181 5.467 50 10 JKGE C[C@@H](CCBr)N(Cc1ccccc1)S(=O)(=O)c1ccc(Cl)cc1C(F)(F)F 1915108926 CTRQKLZETZSZAC-ZDUSSCGKSA-N 484.765 5.723 50 10 JKGE C[C@H]1CN(Cc2ccccc2)C[C@@H](C)N(c2ccc(Br)cc2CBr)C1 1921467279 WMHGCRAZEIJWQF-DLBZAZTESA-N 466.261 5.691 50 10 JKGE Cc1c(Br)sc([C@@H](Br)c2ccc3c(c2)CCO3)c1Br 1922901280 MDZVKKLEAFTWLN-LBPRGKRZSA-N 467.020 6.001 50 10 JKGE Cc1cc([C@H](Cl)c2c(Br)sc(Br)c2Cl)c(Br)s1 1951016284 LRMMKZLOGQQYKN-LURJTMIESA-N 499.902 7.387 50 10 JKGE BrCc1cc(Br)ccc1N1C[C@H]2CCN(Cc3ccccc3)[C@H]2C1 2015064050 BKLGVJDAHOBBTI-UZLBHIALSA-N 450.218 5.055 50 10 JKGE CC(C)(C[C@H](Br)c1cc(Br)ccc1Br)C(F)(F)F 2033016216 WDFYPAJRJQHHLI-JTQLQIEISA-N 452.934 6.626 50 10 JKGE Fc1cc(F)c([C@H](Br)c2cc(Br)sc2Br)cc1Cl 2058879653 OULZZDLNHRRZKP-JTQLQIEISA-N 481.381 6.689 50 10 JKGE COc1ccc(Br)cc1[C@H](Cl)c1c(Br)cccc1Br 2094090750 KNMNCBVWGCDPKM-AWEZNQCLSA-N 469.398 6.311 50 10 JKGE Cc1cc(Br)c([C@H](Br)C2(CC(F)F)CCC2)cc1Br 2095629903 XRVHCDMISKWWOA-ZDUSSCGKSA-N 460.982 6.782 50 10 JKGE Cn1nc([C@H](Br)c2cc(Br)c(Cl)cc2F)c(Cl)c1Cl 2097828142 PLWNGNVBALZFCV-MRVPVSSYSA-N 451.348 5.766 50 10 JKGE Cn1nc([C@H](Br)c2cc(C3CC3)c(Br)s2)c(Br)c1Cl 2110721462 SVDJKIYMKRWHJD-MRVPVSSYSA-N 489.458 6.022 50 10 JKGE C[C@]1([C@@H](Br)c2c(Cl)sc(Br)c2Cl)CCCCC1(F)F 2111644751 BUHWQPWFDWNGTA-GZMMTYOYSA-N 457.005 7.469 50 10 JKGE CN(Cc1c(Br)cccc1Br)C1CCC(CBr)CC1 2114664319 DYPUWOSRIQCJGS-UHFFFAOYSA-N 454.044 5.597 50 10 JKGE Cc1cc(Br)c(C)c([C@H](Br)[C@@H]2C[C@@]2(C)C(F)F)c1Br 2136380501 VBNHDRHOEHKVRX-REAQECSSSA-N 460.982 6.556 50 10 JKGE COc1cc([C@H](Cl)c2ccc(Br)cc2Br)ccc1Br 2138859545 BZHVVHIKCGLHLH-AWEZNQCLSA-N 469.398 6.311 50 10 JKGE CC1(C)[C@H]2CC[C@@H](C2)[C@H]1[C@@H](Br)c1ccc(Br)cc1Br 2138867468 RTPMTHDJRYBKNI-CHPZLBCBSA-N 451.040 6.720 50 10 JKGE CCC[C@@H]1CN(Cc2cccc(Br)c2Br)C[C@@H]1CBr 2140782806 CYXLMKMVSYGKIY-YPMHNXCESA-N 454.044 5.455 50 10 JKGE Clc1ccc(I)c(CN2CCC3(CCC3)[C@@H](CBr)C2)c1 2151650197 FHUGLJWAMZIAGJ-ZDUSSCGKSA-N 468.604 5.332 50 10 JKGE COc1cc(C)c(Br)cc1[C@@H](Br)c1c(Br)sc(C)c1C 2157250282 CDRLYBTVSODIHN-CQSZACIVSA-N 483.063 6.691 50 10 JKGE Cc1c(Br)sc([C@@H](Br)c2cc3c(C)nn(C)c3s2)c1Br 2175242548 DGCCTYMYABRVJY-JTQLQIEISA-N 499.091 6.322 50 10 JKGE Cc1cc(Br)c(C)c([C@@H](Br)[C@@H]2C[C@@H]3CC[C@H](C2)O3)c1Br 2201078268 MIVFLSBDNJLLCT-BUWBCJGYSA-N 467.039 6.222 50 10 JKGE Br[C@H](c1cccc(I)c1)c1ccc(-c2ccccc2)s1 2206123988 DZLVQSXZRSDAQN-QGZVFWFLSA-N 455.158 6.504 50 10 JKGE COc1c(C)cc(Br)cc1[C@@H](Cl)c1cc(Cl)ccc1I 2206586127 HZVRLFZKZNQVOF-AWEZNQCLSA-N 485.974 6.352 50 10 JKGE COc1cc(F)c([C@@H](Br)c2ccc(I)c(C)c2)c(F)c1 2207105613 VMBKTYGXRZPOTJ-HNNXBMFYSA-N 453.064 5.371 50 10 JKGE Fc1cc(Br)cc(CCl)c1OC[C@@H]1CC1(Br)Br 2213082784 IOSQOWAOFVGMNK-ZETCQYMHSA-N 451.355 5.212 50 10 JKGE Cc1sc([C@@H](Br)c2c(Cl)sc(Cl)c2Cl)c(C)c1Br 2218963468 AAGQYWIYJQBUST-ZETCQYMHSA-N 469.478 7.633 50 10 JKGE Cc1nn(C)c([C@@H](Br)c2cc(Br)ccc2Br)c1Cl 2224018539 MSOXWKXHNOJRTO-JTQLQIEISA-N 457.391 5.391 50 10 JKGE Fc1cc(Br)c(Br)cc1[C@@H](Br)CCOCC(F)(F)F 2225615945 BGQFTTVYHBRUBB-ZETCQYMHSA-N 472.896 5.756 50 10 JKGE Cc1sc(Br)c([C@H](Br)Cc2ccc(Br)cc2Cl)c1C 2229147515 LDZUKDTVJQRWSN-LLVKDONJSA-N 487.482 7.222 50 10 JKGE FC(F)(F)C(F)(F)C[C@H](Br)c1c(Br)cc(Cl)c(Cl)c1Cl 2232520422 OOUVHFORNXULNC-BYPYZUCNSA-N 485.299 7.433 50 10 JKGE BrC[C@@]12CCCC[C@H]1CN(Cc1c(Br)cccc1Br)C2 2239171149 GKZRTTHBDFNVOX-BLLLJJGKSA-N 466.055 5.599 50 10 JKGE C[C@H](Br)CN(Cc1ccccc1)C(=O)c1scc(Br)c1Cl 2241234196 HCYFOAJVDXSIRX-JTQLQIEISA-N 451.611 5.590 50 10 JKGE Clc1ccc([C@@H](Br)Cc2ccccc2Cl)cc1I 2256361353 VRIBGOBFUVKBAR-NSHDSACASA-N 455.948 6.277 50 10 JKGE Clc1cccc(C[C@H](Br)c2ccccc2Br)c1Br 2259397861 CVBQZFROJNCVCY-LBPRGKRZSA-N 453.399 6.544 50 10 JKGE Cc1cc(Br)sc1[C@@H](Cl)Cc1cc(Br)cc(Br)c1 2263452617 NACUVYWAINTCTO-NSHDSACASA-N 473.455 6.867 50 10 JKGE CC1CC2(C1)CC(CBr)(Cc1cccc(Br)c1Br)C2 2272095955 KBSVOGLNRGXGGJ-UHFFFAOYSA-N 451.040 6.346 50 10 JKGE Brc1cc(Br)cc(C[C@H](Br)C2C[C@H]3CCC[C@@H]3C2)c1 2277954559 YAOVUNUOAFQRNE-HSMVNMDESA-N 451.040 6.344 50 10 JKGE Brc1cc(Br)cc(C[C@@H](Br)[C@H]2CC3CCC2CC3)c1 2277960385 HFMGGOJZQHWYDQ-GRCBUHDVSA-N 451.040 6.344 50 10 JKGE Brc1cc(Br)cc(C[C@@H](Br)CC23CCC(CC2)C3)c1 2277964833 ICMDQPYYRATSTO-YWCUFVOSSA-N 451.040 6.488 50 10 JKGE COc1ccc([C@H](Cl)c2cc(Cl)ccc2Br)c(Br)c1Cl 2283554364 OFLGILCPJVJXMN-ZDUSSCGKSA-N 459.392 6.855 50 10 JKGE COc1ccc([C@@H](Br)[C@H]2C(F)(F)C23CCCC3)cc1I 2284998333 QQQWKAHFFNFMQD-CHWSQXEVSA-N 457.096 5.561 50 10 JKGE O=C(c1scc(Br)c1Br)N1CCC2(CC[C@@H](Br)C2)CC1 2288058213 CXIUVYJTQICPQA-SECBINFHSA-N 486.067 5.443 50 10 JKGE N#CC(=Cc1cccn1Cc1ccc(Cl)cc1Cl)S(=O)(=O)c1ccc(Cl)cc1 2295654523 NQLZYMRIEUVUDX-UHFFFAOYSA-N 451.762 5.835 50 10 JKGE C[C@@H]1CC[C@H](C[C@@H](Br)c2ccc(OCc3ccccc3)cc2Br)O1 2299487950 BKOIMSDPDNBTHP-WIBUTAKZSA-N 454.202 6.422 50 10 JKGE CC1(C)CC[C@@H]([C@@H](Br)c2cc(Br)ccc2OCc2ccccc2)C1 2299503226 DCKWUNQKBMQICI-OXQOHEQNSA-N 452.230 7.290 50 10 JKGE Cc1nc(Br)c([C@@H](Cl)c2sc(Cl)cc2I)n1C 2300953244 HDECVUSNHMLORR-SSDOTTSWSA-N 465.969 5.139 50 10 JKGE CCOc1cc(C=C(C#N)C(=O)Nc2cccc([N+](=O)[O-])c2)ccc1OCc1ccc(F)cc1 2313724620 NLCBMEFKJYDQFZ-UHFFFAOYSA-N 461.449 5.257 50 10 JKGE Cc1ccc(NC(=O)C(C#N)=Cc2c(Oc3ccccc3C)nc3c(C)cccn3c2=O)cc1C 2314532086 GFMSQDRJQJBNNN-UHFFFAOYSA-N 464.525 5.266 50 10 JKGE N#CC(=Cc1ccc(-c2cc(Cl)cc(Cl)c2)o1)C(=O)Nc1cc(Cl)cc(Cl)c1 2314571698 KKDJQMKGRIALAW-UHFFFAOYSA-N 452.124 7.106 50 10 JKGE Cc1sc(Br)c([C@H](Br)c2c(Br)nc(C)n2C)c1C 2315598714 QLHHBQICNXGKHG-VIFPVBQESA-N 457.029 5.416 50 10 JKGE Cn1nc(Br)c(Br)c1[C@@H](Cl)c1c(Cl)sc(Cl)c1Cl 2316727169 UEHPAKAHIKOVIW-BYPYZUCNSA-N 473.832 6.295 50 10 JKGE Cc1cc(Br)c(C(=O)N[C@@H](CCBr)COCc2ccccc2)cc1Cl 2320360317 FQUFWAVLAQKSCQ-HNNXBMFYSA-N 489.635 5.511 50 10 JKGE CN(CCC1(c2ccccc2)CCCCC1)C(=O)C(C#N)=Cc1cccc(Br)c1 2324522284 PDJUORIETXXWFY-UHFFFAOYSA-N 451.408 6.107 50 10 JKGE N#CC(=CNc1cccc2ccccc12)C(=O)N1CCN(C(c2ccccc2)c2ccccc2)CC1 2324605967 DKZXVZODBUAUMW-UHFFFAOYSA-N 472.592 5.593 50 10 JKGE CC[C@@H](NC(=O)C(C#N)=CNCCc1ccc(Br)cc1)c1ccc2c(c1)CCCC2 2325092760 HLEAUWFNVWORFB-XMMPIXPASA-N 466.423 5.135 50 10 JKGE BrC[C@@]1(Cc2ccc(I)c(Br)c2)CC12CCCC2 2325218561 QBWFMJLHTZPOIJ-OAHLLOKOSA-N 484.013 5.942 50 10 JKGE CCCCOC(=O)c1ccccc1NC(=O)C(C#N)=CNc1ccc(Br)c(C)c1 2325311238 INUPROMESUGTHN-UHFFFAOYSA-N 456.340 5.173 50 10 JKGE Cc1cc(Br)c([C@H](Br)[C@@H]2C[C@@H]3O[C@H]2[C@H]2C[C@@H]32)cc1Br 2328641382 ARJCADOVIKTHOO-CEIKMHFJSA-N 450.996 5.379 50 10 JKGE Cc1cc(Br)c([C@@H](Br)[C@@H]2CCC[C@H]2C(C)C)cc1Br 2330727541 IQZPCGXYTIPGSQ-OZVIIMIRSA-N 453.056 7.028 50 10 JKGE N#CC(=Cc1ccc(OCc2ccc(Cl)cc2Cl)cc1)c1cc2c(cc1[N+](=O)[O-])OCCO2 2331051402 KLVPCZMDVJUQCH-UHFFFAOYSA-N 483.307 6.316 50 10 JKGE CCCOc1ccc(-c2csc(C(C#N)=C(O)COc3ccc(C)c(C)c3)n2)cc1OCCC 2331293542 XDTKICHWEUIMST-UHFFFAOYSA-N 478.614 6.876 50 10 JKGE COc1ccc(C=C(C(O)=C(C#N)c2nc(-c3cccc4ccccc34)cs2)c2ccccc2)cc1 2331339314 XVWMRUHWZWCUDY-UHFFFAOYSA-N 486.596 8.005 50 10 JKGE CCCCCCCOc1ccc(-c2csc(C(C#N)=C(O)c3ccc([N+](=O)[O-])cc3)n2)cc1 2331344868 UOMNLSJEUPIQRP-UHFFFAOYSA-N 463.559 7.017 50 10 JKGE COc1c(C)cc(C)cc1-c1csc(C(C#N)=C(O)[C@H]2CC(=O)N(Cc3ccccc3)C2)n1 2331373277 UJXYBHMDAOBMNH-IBGZPJMESA-N 459.571 5.277 50 10 JKGE CCOc1c(Br)cc(C=C(C#N)c2nc(-c3ccc(CC)cc3)cs2)cc1OC 2331417893 YKZVYEOPWBONNQ-UHFFFAOYSA-N 469.404 6.606 50 10 JKGE Brc1cc(OCc2ccccc2)ccc1[C@H](Br)[C@@H]1COc2ccccc21 2336084540 VCGSAYNOXJLWAF-KNQAVFIVSA-N 474.192 6.640 50 10 JKGE CCCc1sc(Br)cc1[C@@H](Cl)c1cc(C)ccc1I 2338020100 LGQTWIPPSHFPDD-HNNXBMFYSA-N 469.613 6.704 50 10 JKGE COc1ccc([C@H](Cl)c2c(Br)c(Br)nn2C)cc1Br 2338859083 BTGQJEMYOKTJOK-JTQLQIEISA-N 473.390 5.044 50 10 JKGE Cc1cc(Br)c(F)c(Br)c1[C@H](Br)[C@@H]1CCC(C)(C)C1 2339655184 XOFSHBOYFDCJPJ-BXKDBHETSA-N 457.019 6.921 50 10 JKGE Cc1cc(Br)c(F)c(Br)c1[C@H](Br)[C@@H]1C[C@@]12CCOC2 2339681805 MANFCBOLWRUDCL-OLXJLDBKSA-N 456.975 5.522 50 10 JKGE Fc1cc(Br)c(Br)cc1[C@@H](Br)[C@@H]1OCC[C@H]1C(F)(F)F 2358938529 VOKICCNRIQIVAX-DIMCTHFVSA-N 484.907 5.754 50 10 JKGE Fc1c(Br)cc(Cl)c([C@H](Br)[C@@H]2[C@H]3[C@H]4CC[C@@H](C4)[C@H]32)c1Br 2362257504 IJDYQMXGRCOMIY-JCMYWTNASA-N 487.432 6.732 50 10 JKGE Cc1cc(Br)c([C@H](Br)c2c(Br)nc(C)n2C)c(C)c1Cl 2362447458 XCQSHHFQRUCRBG-NSHDSACASA-N 485.445 6.008 50 10 JKGE Cc1cc(Br)c([C@@H](Br)c2c(Br)nc(C)n2C)c(C)c1F 2362486951 SJKOVOFSEISGDQ-LLVKDONJSA-N 468.990 5.494 50 10 JKGE Fc1cc([C@H](Br)c2cc(Cl)c(Br)cc2F)c(Cl)cc1Cl 2379736815 YODFFFXPOGTYFV-ZDUSSCGKSA-N 465.346 7.172 50 10 JKGE CCCCO[C@@H]1[C@@H](Br)C[C@@H]1OCc1cc(I)ccc1Cl 2380342704 KSZLHXXIBVGWAO-AEGPPILISA-N 473.576 5.182 50 10 JKGE Fc1cccc([C@@H](CBr)OCc2cc(I)ccc2Cl)c1 2380354389 YNGPTCLTDQRRPC-OAHLLOKOSA-N 469.519 5.737 50 10 JKGE CCc1cc(Br)c(OC)c([C@@H](Br)c2cc(Br)c(C)s2)c1 2381246774 RGUZUMKNRDWVGU-CQSZACIVSA-N 483.063 6.637 50 10 JKGE CCc1ccccc1N1CSC2=C(C#N)[C@H](c3cc(Br)ccc3OC)CC(=O)N2C1 9693462 WHQTWEQALZLCFM-KRWDZBQOSA-N 484.419 5.240 50 10 JKGE CCOc1cc(C=NNC(=O)c2ccc(NC(=O)CC)cc2)ccc1OC(=O)c1ccc(Cl)cc1 17299745 BIAROGKJGQGSJJ-UHFFFAOYSA-N 493.947 5.070 50 10 JKGE Cc1cc(/C=C(/C#N)C(=O)OCC(=O)Nc2cc(C(F)(F)F)ccc2Cl)c(C)n1CC(C)C 33496938 GZIKQUXGHQNQIS-IUXPMGMMSA-N 481.902 5.522 50 10 JKGE C[C@H](Oc1ccc(F)cc1)C(=O)Oc1ccc2c(c1)OC(N)=C(C#N)[C@H]2c1ccc(Cl)cc1Cl 38655450 KDBSWKXDLYMISG-NPMABZOXSA-N 499.325 5.724 50 10 JKGE Cc1ccccc1C(=O)Oc1ccc2c(c1)OC(N)=C(C#N)[C@@H]2c1ccccc1Br 38678455 FNLQWZKXURCJNS-JOCHJYFZSA-N 461.315 5.195 50 10 JKGE CCCOc1cccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)[C@@H](C)Oc4ccc(CC)cc4)ccc32)c1 38684488 ZJSFIQUJQAACCH-GDJIYFAZSA-N 498.579 5.629 50 10 JKGE Cc1c(C(=O)Nc2ccc(F)cc2F)oc2c1/C(=N/NC(=O)c1ccccc1Cl)CCC2 40812762 WEFBMBGLRAALMC-MTDXEUNCSA-N 457.864 5.242 50 10 JKGE CCOc1cc(/C=C(\C#N)C(=O)NCc2ccco2)ccc1OC(=O)c1ccc(Cl)cc1Cl 40926014 NKZUOORAOKFANO-MHWRWJLKSA-N 485.323 5.428 50 10 JKGE O=C(N/N=C/c1ccc(OC(=O)c2ccccc2)cc1)c1ccc(OCc2ccc(Cl)cc2)cc1 48572299 UAPJKVPNESYKSC-UXHLAJHPSA-N 484.939 5.902 50 10 JKGE CCOc1ccc([C@H](O)CCC(=O)N/N=C\c2ccc(OCc3cccc4ccccc34)cc2)cc1 58893722 NDARDSZSHPTXFO-QQEKRWHXSA-N 482.580 5.781 50 10 JKGE N#CCOc1ccccc1/C=N/NC(=O)CSc1c(Cl)c(Cl)c(Cl)c(Cl)c1Cl 59152666 LPITYCYBHXZBSV-HCBMXOAHSA-N 497.618 6.098 50 10 JKGE COc1cc(/C=N/NC(=O)c2cc3ccccc3o2)cc(Cl)c1OCc1cccc(F)c1 59680291 VXAKNFXBEWRPHF-UVHMKAGCSA-N 452.869 5.577 50 10 JKGE CC1CCC(NC(=O)[C@H](c2ccc(Cl)cc2)N(CCC2=CCCCC2)C(=O)CCl)CC1 97914750 VXHVZIVVBPFRPL-RWRPHHHKSA-N 465.465 6.034 50 10 JKGE CCc1ccc(N2C(=O)[C@H](Cc3ccc(F)cc3)S/C2=C(/C#N)C(=O)Nc2ccccc2C)cc1 101244923 YBCDCTUBVJDUCS-IDJUBOEBSA-N 485.584 5.762 50 10 JKGE O=c1[nH]c2cc(Br)c([C@@H](Br)Cc3cccc(Br)c3)cc2[nH]1 109884230 VAMJJNHUFDSLCB-NSHDSACASA-N 474.978 5.060 50 10 JKGE COc1cc(C)c(Br)cc1[C@H](Br)c1ccc(Br)cc1Cl 115867193 OMWVORCERONTHV-OAHLLOKOSA-N 483.425 6.666 50 10 JKGE Cc1cc([C@H](Br)c2ccc(Br)c(C(F)(F)F)c2)sc1Br 124623072 HDPSEABLVAAGOL-LLVKDONJSA-N 492.980 7.085 50 10 JKGE Fc1cc(Br)cc(C[C@@H](CBr)Cc2ccccc2Br)c1 125107868 JWUMQKUNUPYHIE-GFCCVEGCSA-N 464.998 6.147 50 10 JKGE Cc1cc([C@H](Cl)c2cc(Br)c(Br)s2)c(C)cc1Br 128872780 AWJQHWFNBVRHDO-LBPRGKRZSA-N 473.455 6.981 50 10 JKGE C[C@H](Cl)c1nc2cc(F)c(Br)cc2n1-c1ccc(I)cc1 158513096 HOMCVSOVHIWNIQ-QMMMGPOBSA-N 479.518 5.832 50 10 JKGE COc1ccc([C@@H](Br)c2cccc(I)c2)c(OC)c1Cl 224653811 DZPQDXJFDZWFQR-ZDUSSCGKSA-N 467.528 5.446 50 10 JKGE Clc1sc([C@@H](Br)c2ccccc2I)cc1Br 227849222 IAQAOCZNEITUPG-JTQLQIEISA-N 492.401 6.253 50 10 JKGE COCCOc1ccc([C@H](Br)c2csc(Br)c2)cc1Br 234658998 ZOZWHKDGRUANDA-AWEZNQCLSA-N 485.035 5.783 50 10 JKGE C[C@H]1CC(Oc2c(Br)cc(CBr)cc2Br)C[C@H](C)C1 235612048 SKKMKPBNWJJIQX-NXEZZACHSA-N 455.028 6.310 50 10 JKGE Cc1cc(Br)c([C@H](Br)C[C@H]2C[C@H]3CC[C@H]2C3)cc1Br 251063786 IBVYNMLQTXXBNC-PVTKRXDGSA-N 451.040 6.782 50 10 JKGE CCOc1cc(C=NNC(=O)c2cc3c(ccc4ccccc43)o2)ccc1OCc1ccc(F)cc1 252626019 QUMIDPWAAMGPGO-UHFFFAOYSA-N 482.511 6.467 50 10 JKGE COc1ccc(Cl)cc1C(=O)NN=C(C)c1ccc(NC(=O)Cc2ccc(Cl)cc2)cc1 252626318 RALYCWUOIPEYKN-UHFFFAOYSA-N 470.356 5.337 50 10 JKGE CCCCCCCCCCCC(=O)NCC(=O)NN=Cc1ccc(OC(=O)c2ccccc2)cc1 254626571 HFCRLWWJBZTGBQ-UHFFFAOYSA-N 479.621 5.393 50 10 JKGE COc1cccc(C=NNC(=O)c2cc3c(ccc4ccccc43)o2)c1OCc1ccc([N+](=O)[O-])cc1 254704718 PZMGCAXEIMFIAP-UHFFFAOYSA-N 495.491 5.846 50 10 JKGE Cc1c(C(=O)Nc2ccc(N=Nc3ccccc3)cc2)oc2c1/C(=N/NC(=O)c1ccco1)CCC2 256018223 ZDLGLJOGRSQDMQ-VIIQZMIBSA-N 481.512 6.319 50 10 JKGE CCN(C[C@@](C)(CBr)OCc1ccccc1Br)C(=O)OC(C)(C)C 303740669 BJJGOVOAGDHAIF-GOSISDBHSA-N 465.226 5.376 50 10 JKGE Fc1cc(Br)c([C@@H](Br)c2ccc(Br)s2)c(F)c1F 398538523 UCUDXICBUDHZNC-VIFPVBQESA-N 464.926 6.175 50 10 JKGE Brc1cc2c(c([C@H](Br)c3nscc3Br)c1)OCCC2 688382657 UDJKZFIVSCSHIU-NSHDSACASA-N 468.008 5.477 50 10 JKGE COc1ccc([C@H](Br)c2scc(Br)c2Br)c(C)c1 705429159 WTAPPHCSZRTLKE-NSHDSACASA-N 455.009 6.074 50 10 JKGE O=C(NN=C(CSc1nc2ccccc2o1)c1ccc([N+](=O)[O-])cc1)c1ccccc1Cl 1084051731 GHCMFNAYGNVACV-UHFFFAOYSA-N 466.906 5.316 50 10 JKGE O=C(CN1CCOCC1)NN=Cc1cc(-c2ccccc2)n(-c2ccc(Cl)cc2)c1-c1ccccc1 1084233426 NZNHVDKWLIUQPW-UHFFFAOYSA-N 499.014 5.247 50 10 JKGE CCOc1ccc([C@@H](O)CCC(=O)NN=Cc2cn(Cc3ccccc3Cl)c3ccccc23)cc1 1084418347 XXVCPQMTSDZVBR-MHZLTWQESA-N 490.003 5.706 50 10 JKGE Cc1cccc(C(=O)NN=C2CCCc3oc(C(=O)Oc4cccc5ccc(C)nc45)c(C)c32)c1 1772744915 NYSCIOZMMBLWDK-UHFFFAOYSA-N 467.525 5.443 50 10 JKGE Cc1cc(C)cc(OC(=O)c2oc3c(c2C)C(=NNC(=O)c2ccc(-c4ccccc4)cc2)CCC3)c1 1772748425 XEWBNFSLEUBGDD-UHFFFAOYSA-N 492.575 6.561 50 10 JKGE Fc1c(F)c(-c2c(Cl)c(Cl)c(Cl)c(Cl)c2Cl)c(F)c(F)c1CBr 1848369621 XHLWCJFPFDPUSU-UHFFFAOYSA-N 491.320 8.072 50 10 JKGE COc1ccc(CC(=O)Nc2cccc3c(OC(=O)Nc4ccc(SC#N)cc4)cccc23)cc1 1858772003 CKUMKQZMOJBCAA-UHFFFAOYSA-N 483.549 6.214 50 10 JKGE N#CC1=C(N)Oc2c(c(C(F)(F)F)nn2-c2ccc(Cl)cc2)[C@H]1c1c(F)cccc1Cl 1865685750 MGVBGGFQODBPHZ-CQSZACIVSA-N 469.225 5.555 50 10 JKGE COc1ccc2ccccc2c1[C@H]1C(C#N)=C(N)Oc2c1c(-c1ccccc1)nn2-c1ccc(C)cc1 1865688056 HQFXNXUIJGWGFE-HHHXNRCGSA-N 484.559 6.228 50 10 JKGE COc1ccc(-c2nn(Cc3ccccc3Cl)c3c2[C@H](c2cccs2)C(C#N)=C(N)O3)cc1 1865697930 GEKSTSNSWAJCAL-NRFANRHFSA-N 474.973 5.540 50 10 JKGE CCCOc1ccccc1[C@@H]1C(C#N)=C(N)Oc2c1c(CCC)nn2Cc1ccc(Cl)c(Cl)c1 1865703470 WEPXZSWVYVCUKA-HSZRJFAPSA-N 497.426 6.198 50 10 JKGE COc1cc(/C=N\NC(=O)c2ccc(-c3ccc(F)c(F)c3)nc2C)ccc1OCc1ccccc1 1865762037 JVEOSGPTKDTZQO-ACXHZZMFSA-N 487.506 5.687 50 10 JKGE CCCC[C@H](NC(=O)C[C@@H](c1ccc(F)cc1)C(C)C)C(=O)Nc1ccc(SC#N)cc1 1866749017 OODFKPCICMFLGA-PKTZIBPZSA-N 455.599 5.842 50 10 JKGE C[C@H](NC(=O)C[C@@H](c1ccc(F)cc1)c1cccc(F)c1)C(=O)Nc1ccc(SC#N)cc1 1866773626 VQFMOWLKPCLPII-HJPURHCSSA-N 465.525 5.203 50 10 JKGE COc1cccc(-c2nc(Nc3ccc(SC#N)cc3)cc(N3CC[C@H](c4ccco4)C3)n2)c1 1868506406 XIJZFILCUUJQOV-IBGZPJMESA-N 469.570 6.056 50 10 JKGE COc1ccc2c(c1)CCN(c1cc(Nc3ccc(SC#N)cc3)nc(-c3cccnc3)n1)[C@H]2C 1868565947 RAZJSSKCLNPYND-SFHVURJKSA-N 480.597 5.988 50 10 JKGE CC(C)Oc1ccc(C/C(O)=C(\C#N)c2nc(-c3ccc(-c4ccccc4)cc3)cs2)cc1 1872744079 UVQLHOXQCLYLIN-RFBIWTDZSA-N 452.579 7.300 50 10 JKGE Cc1cc(OCCC/C(O)=C(\C#N)c2nc(-c3ccc(Cl)cc3Cl)cs2)cc(C)c1Cl 1872745233 YOAIFKNVUBUDCU-UZYVYHOESA-N 493.843 8.039 50 10 JKGE COc1c(Cl)cc(Cl)cc1-c1csc(/C(C#N)=C(\O)CCCOc2ccccc2Cl)n1 1872754355 OSWPIVXYAVUAHM-CYVLTUHYSA-N 495.815 7.431 50 10 JKGE CCOc1ccc(-c2csc(/C(C#N)=C(\O)CCCOc3ccccc3Cl)n2)c(OCC)c1 1872755666 ZDKLDVGTWVZWNF-QOCHGBHMSA-N 485.005 6.913 50 10 JKGE Cc1ccc(-c2csc(/C(C#N)=C(\O)CN3C(=O)c4ccc(Br)cc4C3=O)n2)cc1C 1872756644 UHPHHTZZFOMWHO-ZZEZOPTASA-N 494.370 5.278 50 10 JKGE CC(C)C[C@@H](/C(O)=C(\C#N)c1nc(-c2ccc(Cl)s2)cs1)N1C(=O)c2ccccc2C1=O 1872758039 IRZONBMQTPRDSJ-SWEXZPIWSA-N 484.002 6.029 50 10 JKGE N#C/C(=C(/O)c1ccc(N2CCCC2)c([N+](=O)[O-])c1)c1nc(-c2ccc(Cl)s2)cs1 1872758366 XHEIMXVECSBFPW-UYRXBGFRSA-N 458.952 5.983 50 10 JKGE COc1ccc(-c2csc(/C(C#N)=C(\O)CCCCCNC(=O)c3ccccc3)n2)c2ccccc12 1872758461 AYAUTUKHRMUTLP-LCUIJRPUSA-N 497.620 6.755 50 10 JKGE COc1ccccc1-c1csc(/C(C#N)=C/c2ccccc2OCc2ccc(Cl)cc2)n1 1872784303 JLGLBKGWARMOKW-XSFVSMFZSA-N 458.970 7.115 50 10 JKGE COc1cc(/C=C(\C#N)c2nc(-c3ccc(F)c(C)c3)cs2)ccc1OCCc1ccccc1 1872790847 IAIHJGMYEBSUCU-HZHRSRAPSA-N 470.569 6.952 50 10 JKGE COc1cc(/C=N/NC(=O)CCCCCNC(=O)OC(C)(C)C)ccc1OCc1ccc(C)cc1 1873792633 JMKJHVYITZUKCX-RDRPBHBLSA-N 483.609 5.118 50 10 JKGE Fc1cc(Cl)c(Br)c(Cl)c1[C@H](Br)C1(Br)CC1 1899503393 OPSREKJLCLATCF-VIFPVBQESA-N 455.774 6.259 50 10 JKGE O=C(c1ccc(F)cc1I)N(Cc1ccccc1)[C@H](CCl)C1CC1 1915158779 HKNIVIKNUUPXEZ-GOSISDBHSA-N 457.714 5.090 50 10 JKGE CC(C)[C@@H](CCl)N(Cc1ccccc1)C(=O)c1cc(Br)cc(Br)c1 1915288228 HOABUCSIWXNBOR-GOSISDBHSA-N 473.636 6.117 50 10 JKGE CC(C)[C@@H](CCl)N(Cc1ccccc1)C(=O)c1cc(C(F)(F)F)ccc1Br 1915303571 SIGXITJCCIALMT-GOSISDBHSA-N 462.737 6.374 50 10 JKGE O=C(c1ccc(Br)c(O)c1)N(Cc1ccccc1)C1(CBr)CCC1 1915755504 BKPVBVMZRCTDEO-UHFFFAOYSA-N 453.174 5.115 50 10 JKGE Cc1c(Br)sc([C@H](Br)C2CC3(CCCCC3)C2)c1Br 1922934253 DUHVLWZOPGODIQ-GFCCVEGCSA-N 471.096 7.378 50 10 JKGE CCc1cscc1[C@H](Br)c1sc(Br)c(C)c1Br 1922935160 NGGPNZFPFMQPDR-JTQLQIEISA-N 459.066 6.690 50 10 JKGE Cc1c(Br)sc([C@H](Br)c2cccc(F)c2Cl)c1Br 1922954838 SOFRWPVKWPTWHG-SECBINFHSA-N 477.418 6.858 50 10 JKGE Clc1c(Br)sc(Br)c1[C@@H](Br)C[C@@H]1C[C@H]1C1CC1 1923063532 ZTLRSIYHHVLULX-FXQIFTODSA-N 463.460 6.799 50 10 JKGE Cc1cccc([C@H](Cl)c2c(Br)sc(Br)c2Br)c1F 1924585645 OAFSJXMMBQBNJG-VIFPVBQESA-N 477.418 6.811 50 10 JKGE Brc1cc([C@H](Br)c2csnc2Br)cc2c1OCCC2 1925260737 BTMRBZOHTWOSMB-NSHDSACASA-N 468.008 5.477 50 10 JKGE FC1(F)[C@@H]2CC[C@H]([C@@H](Br)c3c(Cl)sc(Br)c3Cl)C[C@H]21 1925547755 WJABYZUHEUMXPP-LENIQADQSA-N 454.989 6.935 50 10 JKGE Cl[C@@H](c1c(Br)sc(Br)c1Br)C1(Br)CC1 1956592758 GPCVAZCZJQQXGR-YFKPBYRVSA-N 488.264 6.243 50 10 JKGE Cl[C@H](c1c(Br)sc(Br)c1Br)[C@H]1CC2(CC2)CO1 2001646585 MQWPCVLCUFKVFV-XRGYYRRGSA-N 465.432 5.885 50 10 JKGE CC(C)CN(Cc1ccccc1)S(=O)(=O)c1ccc(CBr)c(Br)c1 2009711024 RFAVWYVLUMKYFT-UHFFFAOYSA-N 475.246 5.191 50 10 JKGE Cn1cc(Br)c([C@H](Br)c2ccc(Br)cc2Br)n1 2024279242 LMHROMYQTWHLBY-SNVBAGLBSA-N 487.815 5.192 50 10 JKGE CC1=C(C#N)C(=O)N(C[C@H]2CCCO2)C(=O)C1=Cc1ccc(-c2ccc(Cl)cc2Cl)o1 2040991910 UQGCKHNKENJGAI-MRXNPFEDSA-N 457.313 5.025 50 10 JKGE O=CC(=Cc1ccc(Br)cc1)Nc1ccc(-c2nc3cc(CC(=O)O)ccc3o2)cc1F 2059546168 QVDCMXKFJVPWGW-UHFFFAOYSA-N 495.304 5.675 50 10 JKGE CCn1cc(Br)c([C@@H](Cl)c2c(Br)sc(Br)c2Cl)n1 2060856473 RXLPDMMXGBKKCD-LURJTMIESA-N 497.865 6.234 50 10 JKGE FC(F)(F)[C@@H]1C[C@@H]1C[C@H](Cl)c1c(Br)sc(Br)c1Br 2065504454 FHCRNGMJEXTYFY-WDCZJNDASA-N 491.392 6.904 50 10 JKGE ClCc1cc(Br)c(OCc2cc(Br)sn2)c(Br)c1 2084091062 CYWXCTIKEGARQF-UHFFFAOYSA-N 476.415 5.748 50 10 JKGE CCc1sc(Br)cc1[C@@H](Cl)c1ccc(I)c(C)c1 2086019301 JLQBHWKQXCKQTJ-AWEZNQCLSA-N 455.586 6.314 50 10 JKGE CCOc1ccc([C@@H](Cl)c2cc(I)ccc2Br)s1 2086383795 DQVGQFRHGUSPDX-ZDUSSCGKSA-N 457.558 5.842 50 10 JKGE Cc1cc([C@H](Br)c2c(Br)cccc2Br)c(C)cc1Cl 2094090096 DFVLZWCWGFFBAW-HNNXBMFYSA-N 467.426 6.966 50 10 JKGE Cc1ccc([C@H](Br)c2cc(Br)c(Cl)cc2F)c(Br)c1 2097833123 AGPQAECPQXFPCB-AWEZNQCLSA-N 471.389 6.797 50 10 JKGE Cc1csc([C@@H](Br)c2cc(Br)cc3c2OCC3)c1Br 2100815335 WTFSDGSPRYDXPB-LBPRGKRZSA-N 467.020 6.001 50 10 JKGE Cc1cc(Br)c([C@H](Br)[C@@H]2CC[C@@H]3[C@H]2C3(F)F)cc1Br 2102122003 YARXPGWOJVNNDG-HRHBAESBSA-N 458.966 6.247 50 10 JKGE Fc1ccc(I)cc1[C@H](Br)c1ccc(CC2CC2)s1 2113350677 HBVIIXNKMYLAQF-HNNXBMFYSA-N 451.142 5.929 50 10 JKGE Fc1cc(Br)cc(Oc2ccc(Cl)cc2Br)c1CBr 2114264372 NESFEJOXHJTPEF-UHFFFAOYSA-N 473.361 6.691 50 10 JKGE C[C@@H]1CN(C(=O)c2scc(Br)c2Br)CC[C@@H]1CCBr 2115836920 PCRLYZJPDPVFJW-BDAKNGLRSA-N 474.056 5.156 50 10 JKGE CCn1ncc(Br)c1[C@@H](Br)c1cc(Br)c(C)cc1OC 2150669655 ZGDSJWHCAVVFJD-ZDUSSCGKSA-N 466.999 5.229 50 10 JKGE O=C(c1ccc(Br)cc1Br)N1[C@H]2CCC[C@@H](Br)[C@H]1CC2 2154106747 SNCFDMDVACELNT-ZKYQVNSYSA-N 466.011 5.132 50 10 JKGE CC1(C)C[C@@H](n2c(CCCl)nc3cc(I)ccc32)CN1Cc1ccccc1 2154533618 BAWPRSCZAPRMLB-GOSISDBHSA-N 493.820 5.648 50 10 JKGE Fc1cc(Br)cc(N2CCC[C@H]2[C@@H]2CCN(Cc3ccccc3)C2)c1CCl 2170694982 ZIYGQVGCLNPZRJ-UTKZUKDTSA-N 451.811 5.818 50 10 JKGE O=C(NCC[C@H]1CCCC[C@H]1Br)c1c(Br)cccc1Br 2179629869 PQVQWLOXXFARIJ-GHMZBOCLSA-N 468.027 5.285 50 10 JKGE CCn1cc(Br)c([C@@H](Br)c2c(C)cc(C)c(Br)c2C)n1 2181177456 QUQSRZGMKDMRFF-AWEZNQCLSA-N 465.027 5.838 50 10 JKGE C[C@H](c1cscc1Br)N(C)c1cc(Br)cc(F)c1CBr 2186583246 ZQNHIAHLDDNGJO-MRVPVSSYSA-N 486.042 6.505 50 10 JKGE COc1ccc([C@H](Br)c2ccc(Br)c(OC)c2)cc1Br 2192153400 VLXKAAJBGDEFFW-HNNXBMFYSA-N 464.979 5.713 50 10 JKGE COc1cc(C)c([C@H](Cl)c2cccc(C)c2I)cc1Br 2198731774 BHJGPBMDNMGZRM-OAHLLOKOSA-N 465.556 6.007 50 10 JKGE Brc1ccc([C@@H](Br)[C@@H]2COc3ccccc3O2)c(Br)c1 2203684447 HCHYHQUFGXZLCB-LSDHHAIUSA-N 462.963 5.488 50 10 JKGE Fc1cc(F)c([C@@H](Br)c2sccc2Br)c(F)c1Br 2220500761 UOHSHLYJFCBJHK-SECBINFHSA-N 464.926 6.175 50 10 JKGE Br[C@H](c1csc(I)c1)c1ccc([C@@H]2CCOC2)s1 2223715189 CEKARIWRYDGYLW-AMIZOPFISA-N 455.180 5.402 50 10 JKGE Cc1cc(Br)c([C@@H](Br)C2C(C)(C)C2(C)C)c(C)c1Br 2227347705 JSLBNIDXSLVMNQ-CYBMUJFWSA-N 453.056 6.947 50 10 JKGE Cc1cc(Br)c([C@@H](Cl)c2cc(I)ccc2F)c(C)c1Cl 2232531065 XRNWJEZEYQCXBM-HNNXBMFYSA-N 487.965 6.791 50 10 JKGE Cc1cc(Cl)cc([C@@H](Br)c2c(Br)cc(C)c(Br)c2C)c1 2235603156 HTCLAJKSYDQWRO-MRXNPFEDSA-N 481.453 7.275 50 10 JKGE BrC[C@@]12CCCC[C@@H]1CN(Cc1cccc(Br)c1Br)C2 2239174501 LUJUPYAXWDNSCT-CZUORRHYSA-N 466.055 5.599 50 10 JKGE Cc1cc(Br)c([C@@H](Br)c2scc(Br)c2Cl)s1 2242672769 KOSOCNXMOBZYFX-SSDOTTSWSA-N 465.457 6.781 50 10 JKGE Cc1csc([C@H](Br)c2sc(C)c(C)c2Br)c1Br 2246428850 XNYDBAHQMLAYFS-JTQLQIEISA-N 459.066 6.744 50 10 JKGE Fc1ccc([C@@H](Cl)c2ccc(Cl)c(I)c2)cc1Br 2256338022 HAKPAOGFQVVGNR-CYBMUJFWSA-N 459.911 6.174 50 10 JKGE Cc1cc(F)c(F)cc1[C@@H](Br)c1ccc(Cl)c(I)c1 2268283912 KQUNWAWFENZLJK-AWEZNQCLSA-N 457.483 6.016 50 10 JKGE Cc1cc(Br)c([C@H](Br)[C@H]2COC3(CCC3)C2)cc1Br 2269308106 QHVGEJXAKXPHPT-QMTHXVAHSA-N 453.012 5.915 50 10 JKGE Cc1csc([C@H](Cl)c2c(F)cc(Br)c(F)c2Br)c1Br 2272721189 FHMJDHBTFRKGEQ-SNVBAGLBSA-N 495.408 6.950 50 10 JKGE Cc1c(Br)cccc1CO[C@H](CBr)c1ccc(Br)cc1 2283656363 YNWWKNKFXRLXEE-MRXNPFEDSA-N 463.007 6.173 50 10 JKGE COc1ccc([C@H](Br)c2ccc(F)c(F)c2F)cc1I 2284999477 PWGHXVRCDQUBTQ-LBPRGKRZSA-N 457.027 5.201 50 10 JKGE CC[C@@]12CC[C@@]([C@H](Br)c3ccc(OC)c(I)c3)(CO1)C2 2285009426 MKMHSWRFVQCAIF-PMPSAXMXSA-N 451.142 5.085 50 10 JKGE C=CCc1ccc(OCCOc2ccc(C=C(C#N)C(=O)Nc3ccccc3C)cc2OC)c(OC)c1 2293250312 UZZUECYYIUCXLM-UHFFFAOYSA-N 498.579 5.744 50 10 JKGE CCOc1cccc(NC(=O)C(C#N)=Cc2ccc(-c3ccc([N+](=O)[O-])cc3Br)o2)c1 2294262173 GLSZKNUZCJEHNK-UHFFFAOYSA-N 482.290 5.562 50 10 JKGE CCOc1cc(C=C(C#N)C(=O)Nc2ccccc2C)ccc1OC(=O)c1ccc(OC)cc1 2295459639 IKBWNYHNPAQIIS-UHFFFAOYSA-N 456.498 5.167 50 10 JKGE N#CC(=Cc1ccc(-c2ccccc2Cl)o1)C(=O)Nc1ccccc1I 2296832257 DUAZBJXBQJHWBJ-UHFFFAOYSA-N 474.685 5.750 50 10 JKGE N#CC(=Cc1ccc(Cl)cc1)c1nc(-c2cc3cc(Br)ccc3oc2=O)cs1 2297212638 MPYSAUBDFWGQKH-UHFFFAOYSA-N 469.747 6.397 50 10 JKGE COc1cc(C=C(C#N)c2nc3ccccc3[nH]2)ccc1OCC(=O)Nc1ccc(C)c(C)c1 2297368180 LUUYNTOCGZNUJA-UHFFFAOYSA-N 452.514 5.270 50 10 JKGE Cc1cc(-c2nn(-c3ccccc3)cc2C=C(C#N)c2nc3ccccc3n2C)cc2c1O[C@H](C)C2 2297498389 NFHGQXGZDPYELG-HXUWFJFHSA-N 471.564 6.122 50 10 JKGE CC12COC([C@H](Br)c3cc(Br)ccc3OCc3ccccc3)(C1)C2 2299491677 AODWTUMSMHHCOR-XEVCZEQESA-N 452.186 6.033 50 10 JKGE Cc1sc(Br)c(C(=O)N[C@H](CCBr)COCc2ccccc2)c1C 2303548893 LZJSXHFKLBDCDP-OAHLLOKOSA-N 475.246 5.228 50 10 JKGE Cc1cccc(NC(=O)C(C#N)=Cc2cn(Cc3ccc(Cl)c(Cl)c3)c3ccccc23)c1 2313667867 WXPUGCVWUDYYLQ-UHFFFAOYSA-N 460.364 6.851 50 10 JKGE N#CC(=Cc1ccc(-c2ccc(Cl)cc2Cl)o1)C(=O)Nc1ccc(OC(F)(F)F)cc1 2314571641 JEYOEVMQRCAISC-UHFFFAOYSA-N 467.230 6.698 50 10 JKGE Cc1ccc(NC(=O)C(C#N)=C2S[C@H](Cc3ccccc3F)C(=O)N2c2ccc(C)c(C)c2)cc1 2314592254 OZRYMCVKLCIYDL-RUZDIDTESA-N 485.584 5.816 50 10 JKGE CCc1ccc(N2C(=O)[C@H](Cc3ccc(Cl)cc3)SC2=C(C#N)C(=O)NCc2ccco2)cc1 2314592761 BESSMRDNXNKGMN-QHCPKHFHSA-N 492.000 5.238 50 10 JKGE CCOc1cc(C=C2C(=O)N(Cc3ccco3)C(=O)C(C#N)=C2C)ccc1OCc1ccccc1 2314618583 PZXXUTHJBVCEAA-UHFFFAOYSA-N 468.509 5.050 50 10 JKGE Cc1ccc(C=CC(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@@H]3c2ccc(Br)cc2)cc1 2314634171 WNJBBUHPGJTIRS-RUZDIDTESA-N 487.353 5.595 50 10 JKGE COc1cccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)C=Cc4ccc(Cl)cc4)ccc32)c1 2314634214 FBGUAVULJUQQFK-RUZDIDTESA-N 458.901 5.186 50 10 JKGE CCCCCCOc1ccc(C=C(C#N)C(=O)Nc2cc(C(F)(F)F)ccc2Cl)cc1OC 2314716945 CIVPJMPYYKCYCA-UHFFFAOYSA-N 480.914 6.872 50 10 JKGE CCCOc1ccc(C=C(C#N)C(=O)Nc2sc(C)c(-c3ccc(F)cc3)c2C(=O)OC)cc1 2314761826 XXLHMAJEICKTRK-UHFFFAOYSA-N 478.545 5.984 50 10 JKGE Cc1nscc1[C@H](Br)c1c(Cl)cc(Br)c(F)c1Br 2315440191 PMNMQRGSJXZHAV-VIFPVBQESA-N 478.406 6.253 50 10 JKGE Clc1ccc(C[C@@H](Br)c2ccc(Cl)cc2I)nc1 2317743704 KPOUYSLUHDUGNP-GFCCVEGCSA-N 456.936 5.672 50 10 JKGE Cc1scc([C@@H](Br)c2cc(Br)c(Cl)cc2F)c1Br 2320486090 PBTLAEVJYSBVQZ-LBPRGKRZSA-N 477.418 6.858 50 10 JKGE Cc1nc(-c2ccc(Cl)c(Cl)c2)ccc1C(=O)NN=Cc1cccc(Cl)c1Cl 2321248685 QKZAITKQNFPROJ-UHFFFAOYSA-N 453.156 6.435 50 10 JKGE COc1ccccc1OCC(=O)NN=Cc1cccc(OCc2ccc(Cl)cc2Cl)c1 2321706273 LCILENDVADJKRG-UHFFFAOYSA-N 459.329 5.110 50 10 JKGE N#CC(=Cc1cc(Br)ccc1OCc1ccc(Cl)c(Cl)c1)n1cnc2ccccc21 2331032821 LWCAOGKWWLCSFP-UHFFFAOYSA-N 499.195 7.206 50 10 JKGE C[C@H](C(O)=C(C#N)c1nc(-c2cc(Cl)ccc2Cl)cs1)N1C(=O)c2ccccc2C1=O 2331404036 TXKGGIZNBLNQEB-LLVKDONJSA-N 470.337 5.594 50 10 JKGE CCOc1cc(C=C(C#N)c2nc(-c3ccc([N+](=O)[O-])cc3)cs2)ccc1OCc1ccccc1C 2331434247 LXWQXEDQSVPHQL-UHFFFAOYSA-N 497.576 7.069 50 10 JKGE CCOc1c(Br)cc(C=C(C#N)c2nc(-c3ccc(F)cc3)cs2)cc1OC 2331459128 OSPHFOXEYCQKIH-UHFFFAOYSA-N 459.340 6.183 50 10 JKGE COc1cc(Br)cc(C=C(C#N)c2nc(-c3c[nH]c4ccccc34)cs2)c1O 2331459924 BOVSBXJULXGXTF-UHFFFAOYSA-N 452.333 5.832 50 10 JKGE Cc1cc(Br)c(C)c([C@H](Br)[C@H]2C[C@@H]3C[C@@H]3CO2)c1Br 2332925829 RQXFMRBUFSPBOZ-PETRGTFGSA-N 453.012 5.689 50 10 JKGE Cc1cc(Br)c([C@@H](Cl)c2c(F)cc(Cl)c(Br)c2Cl)s1 2335301660 JBNOEBZAHJFRIB-NSHDSACASA-N 467.412 7.356 50 10 JKGE Clc1cc(Cl)cc(C[C@@H](Cl)c2ccc(OCc3ccccc3)cc2Br)c1 2336047649 NLNOQTJFFGOIGQ-OAQYLSRUSA-N 470.621 7.858 50 10 JKGE CC(C)c1ccccc1[C@H](Br)c1cc(Br)ccc1OCc1ccccc1 2336053587 KLJUPAWODOHDCJ-QHCPKHFHSA-N 474.236 7.636 50 10 JKGE Fc1c(Br)cc(Cl)c([C@H](Cl)c2cc(Cl)c(Cl)s2)c1Br 2337087376 YBODMJKPDZFIEZ-SECBINFHSA-N 487.830 7.701 50 10 JKGE Clc1cc(I)c([C@@H](Br)c2ccc3ccccc3c2)s1 2338558786 OTDUPCKAMFZKKB-AWEZNQCLSA-N 463.565 6.644 50 10 JKGE Cc1cc(Br)c(F)c(Br)c1[C@@H](Br)c1ccccc1Cl 2339647658 CQUJKZWQNPDPEE-LBPRGKRZSA-N 471.389 6.797 50 10 JKGE COc1c(Br)cc(C)c([C@@H](Br)C[C@H]2CCCO2)c1Br 2339650317 DWXDLWWPTMOEJO-ZJUUUORDSA-N 457.000 5.534 50 10 JKGE COC1CC(C[C@@H](Br)c2c(C)cc(Br)c(F)c2Br)C1 2339653325 IFZUDGPVBFZHFP-UDNWOFFPSA-N 458.991 5.910 50 10 JKGE COc1c(Br)cc(C)c([C@H](Br)c2cc(C)cs2)c1Br 2339653966 OCEAQIULQFIEJP-GFCCVEGCSA-N 469.036 6.383 50 10 JKGE Cc1cc(Br)c(F)c(Br)c1[C@@H](Br)CCCC(F)(F)F 2339657877 CHSNOEOXNRPFQH-ZETCQYMHSA-N 470.924 6.828 50 10 JKGE CC(C)(C)[C@@H]1[C@@H](Br)CCN1Cc1ccc(Cl)cc1I 2341008967 GBHXDUXCBHWVMW-JSGCOSHPSA-N 456.593 5.329 50 10 JKGE Clc1ccc(I)cc1CN(CCBr)Cc1cccs1 2352426995 YJDGPABQGJYYQI-UHFFFAOYSA-N 470.601 5.403 50 10 JKGE Cc1cc(Br)c(C)c([C@@H](Br)[C@H]2O[C@H]3CC[C@H]2C3)c1Br 2352547008 BVKFXDKKJTYKTL-MISXLKTNSA-N 453.012 5.832 50 10 JKGE Cc1cc(Br)c(C(C)C)cc1[C@H](Br)c1cnsc1Br 2352790469 MQJBORBFPGCNJS-ZDUSSCGKSA-N 468.052 6.584 50 10 JKGE Fc1cc(Br)c(F)c(Br)c1[C@H](Br)[C@@H]1C[C@@H]2O[C@H]1[C@H]1C[C@@H]21 2359721082 KEOMVYGQYHFJBS-SSNIZJSZSA-N 472.949 5.349 50 10 JKGE Fc1cc(CBr)c(N2CC[C@]3(CCCN(Cc4ccccc4)C3)C2)cc1Cl 2362392531 VIJLNHUHCOQWPP-QFIPXVFZSA-N 451.811 5.867 50 10 JKGE COc1c(Br)cc(C)c([C@@H](Br)[C@@H]2C3C[C@@H]4C2[C@@H]4C3)c1Br 2365192108 AGXJZPFQGUHFTL-LACBJMCHSA-N 465.023 5.867 50 10 JKGE COc1cc(Cl)c(C)cc1NC(=O)/C(C#N)=C/c1sc(N2CCOCC2)nc1-c1ccccc1 2643829 WYXZJQNIKASZML-QGOAFFKASA-N 495.004 5.163 50 10 JKGE CCSc1sc(CC)cc1[C@@H]1C(C#N)=C(N)N(c2ccccc2)C2=C1C(=O)CC(C)(C)C2 9981177 YHNGNGFITTXBGD-JOCHJYFZSA-N 463.672 6.363 50 10 JKGE N#C/C(=C\c1cc([N+](=O)[O-])ccc1OCc1ccc(Cl)cc1Cl)c1nc2ccccc2[nH]1 33246682 OBKAVJSPHVSCCB-CXUHLZMHSA-N 465.296 6.421 50 10 JKGE CCn1c(/C(C#N)=C\c2ccc(OCc3c(F)cccc3Cl)c(OC)c2)nc2ccccc21 33470810 WWUKHXRNUVVBRO-AQTBWJFISA-N 461.924 6.500 50 10 JKGE N#C/C(=C/c1ccc(-c2cc(C(F)(F)F)ccc2Cl)o1)C(=O)Nc1ccc(Cl)cc1Cl 33517187 LBRPTAKXGGFANM-XFFZJAGNSA-N 485.676 7.471 50 10 JKGE CCOC(=O)c1ccc(COc2ccc(/C=C(/C#N)c3nc4ccccc4[nH]3)cc2OC)cc1 33554562 QBYAGMMCQBBSLM-STZFKDTASA-N 453.498 5.391 50 10 JKGE Cc1cc(C)cc(N2C(=O)CS[C@H]2c2cccc(NC(=O)[C@@H](Cl)c3ccccc3)c2)c1 35928686 JFSGLXZGONNOOT-ZCYQVOJMSA-N 450.991 6.001 50 10 JKGE C=CCN1C(=O)C(C#N)=C(C)/C(=C\c2cn(-c3ccccc3)nc2-c2ccc(SCCC)cc2)C1=O 38607663 YDDPFIOHPFXWPR-KOEQRZSOSA-N 494.620 5.820 50 10 JKGE Cc1ccc(Oc2nc3ccccn3c(=O)c2/C=C(/C#N)C(=O)Nc2cccc(C(F)(F)F)c2)cc1 39858538 WJDNEBWIKKNMKR-LGMDPLHJSA-N 490.441 5.360 50 10 JKGE N#C/C(=C\c1ccc(-c2ccc([N+](=O)[O-])cc2)o1)C(=O)Nc1ccc(C(F)(F)F)c(Cl)c1 39884879 PHYGBJIVOAUSPP-UKTHLTGXSA-N 461.783 6.073 50 10 JKGE Cc1c(C(=O)N2CCCc3ccccc32)oc2c1/C(=N/NC(=O)c1cccc3ccccc13)CCC2 40813593 KGJGXJPNHSFBCI-QFMPWRQOSA-N 477.564 5.805 50 10 JKGE Cc1c(C(=O)Nc2cccc(Cl)c2Cl)oc2c1/C(=N/NC(=O)c1cccnc1)CCC2 40814158 TWOAVERLWQHHNJ-JFLMPSFJSA-N 457.317 5.013 50 10 JKGE O=C(COc1ccc(-c2ccccc2)cc1Br)N/N=C/c1ccc(Cl)c(Cl)c1 40902867 GHKWXMUYZWCZFC-BRJLIKDPSA-N 478.173 5.952 50 10 JKGE O=C(N/N=C/c1c(OC(=O)c2ccccc2)ccc2ccccc12)C(=O)Nc1cccc2ccccc12 48572071 UBDFQSWMFCKMLI-ZCTHSVRISA-N 487.515 5.301 50 10 JKGE CC(C)Cc1ccc([C@H](C)C(=O)N/N=C/c2ccc(Oc3ccc([N+](=O)[O-])cc3[N+](=O)[O-])cc2)cc1 59160190 MXOQYNZVTMGBKR-NLTKLDOMSA-N 490.516 5.748 50 10 JKGE Cc1ccc(C)c(-n2c(C)cc(/C=N/NC(=O)c3cc4cc(Br)ccc4o3)c2C)c1 59303749 JNFYJKVEIUBSRP-LGJNPRDNSA-N 464.363 5.984 50 10 JKGE Cc1ccc(C)c(OCCCC(C)(C)C(=O)NNC(=O)[C@@H](C)Oc2ccc3ccccc3c2)c1 66201478 BXVXUBPUIQCCQW-OAQYLSRUSA-N 462.590 5.257 50 10 JKGE C/C(C=O)=C\CC[C@@H](C)[C@H]1CC[C@@]2(C)C3=C(CC[C@]12C)[C@@]1(C)CCC(=O)C(C)(C)[C@H]1CC3=O 70455522 KZOBOICRKKYGAQ-ZOHCQILNSA-N 452.679 7.045 50 10 JKGE CC1=C(C#N)C(=O)N(Cc2cccnc2)C(=O)/C1=C/c1ccc(-c2cccc(Cl)c2Cl)o1 101336571 VCXVXLGIAVYNMP-VCHYOVAHSA-N 464.308 5.441 50 10 JKGE C[C@H]1COc2ccc([C@H](Br)c3cc(Br)c(Br)s3)cc2OC1 128566324 DONQUQUGWHSUJJ-RTHLEPHNSA-N 497.046 6.165 50 10 JKGE FC(F)(F)Oc1ccc([C@H](Br)c2cc(Cl)c(Br)s2)cc1 131410396 GKPGDZQCIKWWBJ-JTQLQIEISA-N 450.501 6.547 50 10 JKGE FC(F)(F)Oc1ccc([C@@H](Br)c2cc(Cl)c(Br)s2)cc1 131410603 GKPGDZQCIKWWBJ-SNVBAGLBSA-N 450.501 6.547 50 10 JKGE Cl[C@@H](c1cc(Br)ccc1Br)c1ccc(Br)c2ccccc12 161112322 MXBZXLFLDLQLRI-QGZVFWFLSA-N 489.432 7.456 50 10 JKGE COc1c(C)cc(Br)c(C)c1[C@@H](Br)c1c(F)cccc1Br 161227953 MQXZVQPYLYFHIH-OAHLLOKOSA-N 480.997 6.460 50 10 JKGE Cc1ccc(Br)c([C@@H](Br)c2cc3[nH]c(=O)[nH]c3cc2Br)c1 161765729 LDYCGBWXABBWTQ-CQSZACIVSA-N 474.978 5.174 50 10 JKGE COc1cc(Cl)c([C@H](Cl)c2cc(Br)cc(Br)c2)cc1Cl 234901740 XXNCKJGOBPVRHG-CQSZACIVSA-N 459.392 6.855 50 10 JKGE Cc1nc(C)c(C(=O)NN=Cc2ccc(C(C)C)cc2)cc1C(=O)NN=Cc1ccc(C(C)C)cc1 254818621 AYAVTBVLNQPYAW-UHFFFAOYSA-N 483.616 5.473 50 10 JKGE Cc1c(C=NNC(=O)c2cc(C)n(-c3ccccc3)c2C)c2ccccn2c1C(=O)c1ccc(F)cc1 254869287 UOYKCKSNKFWQKP-UHFFFAOYSA-N 492.554 5.789 50 10 JKGE Cc1sc(Br)cc1[C@H](Br)c1ccccc1OCc1ccccc1 310021947 SCEOAXXIBYMJOD-LJQANCHMSA-N 452.211 6.882 50 10 JKGE Cc1ccccc1C(CBr)(CBr)Cc1ccc(Br)o1 378974178 MAWZYTYIGARQPP-UHFFFAOYSA-N 450.996 5.621 50 10 JKGE C[C@H](Cl)c1nc2cc(Br)c(F)cc2n1CC[C@H](C)N(C)Cc1ccccc1 379600988 ATFWNGZAEGJTLW-GJZGRUSLSA-N 452.799 6.148 50 10 JKGE Cc1ccc([C@@H]2CN(Cc3ccccc3)C[C@@H]2CI)c(Br)c1 382689031 KORZYEZDLNLFKK-FUHWJXTLSA-N 470.192 5.408 50 10 JKGE CC(C)CC(CBr)(CBr)Cc1cc(Cl)ccc1Br 385198432 RRZPWNCRYPQKQD-UHFFFAOYSA-N 461.463 6.467 50 10 JKGE BrCc1c(Br)cccc1N1C[C@H]2CCN(Cc3ccccc3)C[C@@H]2C1 394701327 IWGCTLLDUZABJN-QZTJIDSGSA-N 464.245 5.302 50 10 JKGE CO[C@@H]1CCC[C@@H](O[C@@](C)(CI)c2ccccc2Br)C1 686010122 JQBFLFQWFAJGNR-IOASZLSFSA-N 453.158 5.074 50 10 JKGE FC1(F)CCC[C@H]1C[C@@H](Br)c1cc(Br)c(Br)s1 713930855 MJRXSMODELZXRI-NKWVEPMBSA-N 452.984 6.535 50 10 JKGE Cc1ccc([C@@H](Br)c2ccc(F)cc2Br)c(C)c1Br 719537471 PXSIUHKJMRQNBH-OAHLLOKOSA-N 450.971 6.452 50 10 JKGE C[C@@H]1Cc2cc(Br)cc([C@@H](Br)c3cccc(Br)c3)c2O1 720052736 OOJBSOMDRJRSAD-PSLIRLAXSA-N 460.991 6.019 50 10 JKGE N#C/C(=C/c1ccccc1OCc1ccccc1Cl)C(=O)Nc1cccc(C(F)(F)F)c1 1083953744 FUKVYALQAYOKGA-PDGQHHTCSA-N 456.851 6.483 50 10 JKGE O=C(CSc1c(Cl)c(Cl)c(Cl)c(Cl)c1Cl)NN=Cc1c(O)cc(O)cc1O 1083986939 HEYLVAWGIRMJOS-UHFFFAOYSA-N 490.579 5.313 50 10 JKGE Cc1c(Br)c(C=NNC(=O)c2cc3ccccc3cc2O)c(C)n1-c1ccccc1 1084120620 UVRHINIIGFTZQD-UHFFFAOYSA-N 462.347 5.479 50 10 JKGE COc1ccc2ccccc2c1C=NNC(=O)c1ccc(NC(=O)c2ccc(C(C)(C)C)cc2)cc1 1084640404 IPMFFMPWEGIQDS-UHFFFAOYSA-N 479.580 6.162 50 10 JKGE COc1cc(C(=O)Nc2ccc(/C(C#N)=C\c3ccc(Cl)c(Cl)c3)cc2)cc(OC)c1OC 1088697364 COJAIHBCFQXXCD-ZDLGFXPLSA-N 483.351 6.336 50 10 JKGE CCOc1ccc([C@@H]2CN(C(=O)OCc3ccccc3)C[C@H]2CBr)cc1OCC 1614624310 PKHFCHGNONHGIJ-UXHICEINSA-N 462.384 5.231 50 10 JKGE O=C(OCc1ccccc1)N1C[C@H](CBr)[C@H](c2ccc(Br)cc2[N+](=O)[O-])C1 1614692518 KKAMGTOPMXIFJD-WMLDXEAASA-N 498.171 5.104 50 10 JKGE COc1ccc(/C(C#N)=C/c2ccc(OC(=O)c3ccc(C(F)(F)F)cc3)cc2)cc1OC 1615099401 UOJQLZGPBXASDY-CPNJWEJPSA-N 453.416 6.006 50 10 JKGE CCN(C(=O)c1oc2c(c1C)C(=NNC(=O)c1cccc(Cl)c1)CCC2)c1cccc(C)c1 1772746146 QPUZZBWRTUUVCO-UHFFFAOYSA-N 463.965 5.687 50 10 JKGE Cc1cc(C)cc(OC(=O)c2oc3c(c2C)C(=NNC(=O)c2cncc(Br)c2)CCC3)c1 1772747176 LUSKUQCBCMSRDN-UHFFFAOYSA-N 496.361 5.052 50 10 JKGE Cc1c(C(=O)N2CCCCCC2)oc2c1C(=NNC(=O)c1ccc(Cl)cc1Cl)CCC2 1772748175 OCLMDKRYQGUMKD-UHFFFAOYSA-N 462.377 5.381 50 10 JKGE COc1ccc(C=NNC(=O)[C@@H](C)Oc2ccc(-c3ccccc3)cc2)cc1Br 1772755493 JKEQBVCBIQDIGZ-MRXNPFEDSA-N 453.336 5.042 50 10 JKGE O=C(CSc1nc2ccccc2s1)NN=Cc1cccc(OCc2cccc(Cl)c2)c1 1772760570 VMSGGRKMDOOEIP-UHFFFAOYSA-N 468.003 5.771 50 10 JKGE COc1ccc(-c2nn(Cc3ccc(C)cc3)c3c2[C@@H](c2ccc(C)cc2)C(C#N)=C(N)O3)cc1 1865684881 AGRPGTSBBSRHCT-VWLOTQADSA-N 462.553 5.442 50 10 JKGE CCCCCOc1ccc([C@H]2C(C#N)=C(N)Oc3c2c(CC)nn3-c2ccccc2)cc1OCC 1865691403 QWQKXBJNZXFYSG-VWLOTQADSA-N 472.589 5.621 50 10 JKGE CCCc1nn(-c2ccc(Cl)c(Cl)c2)c2c1[C@@H](c1cccc([N+](=O)[O-])c1)C(C#N)=C(N)O2 1865705942 KCCUBSMAYMLXIV-IBGZPJMESA-N 470.316 5.258 50 10 JKGE COc1ccc([C@H]2C(C#N)=C(N)Oc3c2c(-c2ccccc2)nn3Cc2ccc(Cl)cc2)c(OC)c1 1865708447 XBDQHUKDWLCNLX-DEOSSOPVSA-N 498.970 5.487 50 10 JKGE CCOC(=O)c1cnn(-c2cccc(Cl)c2)c1NC(=O)/C(C#N)=C/c1cccc(Br)c1 1866131875 RICVWNVVJNUUCV-OQLLNIDSSA-N 499.752 5.011 50 10 JKGE CCc1ccc(/C(C)=C/C(=O)N[C@@H](CCSC)C(=O)Nc2ccc(SC#N)cc2)cc1 1866686129 ZDRWYPXANPKBCX-DKXPKDADSA-N 453.633 5.102 50 10 JKGE CCC[C@@H](NC(=O)C[C@H](c1ccc(Cl)cc1)C(C)C)C(=O)Nc1ccc(SC#N)cc1 1866761426 KXILALHXONEWDR-FCHUYYIVSA-N 458.027 5.966 50 10 JKGE CCCC[C@H](NC(=O)[C@H](c1ccc(C(C)C)cc1)C(C)C)C(=O)Nc1ccc(SC#N)cc1 1866964237 SSEXPVIBXVMQKB-DQEYMECFSA-N 465.663 6.436 50 10 JKGE COc1cc(/C=C(\C#N)c2nc3ccccc3[nH]2)ccc1OCC(=O)Nc1ccc(C)cc1C 1872726849 QXSYPQRQMFRCCY-DEDYPNTBSA-N 452.514 5.270 50 10 JKGE Cc1c(/C(O)=C(\C#N)c2nc(-c3ccc(Br)cc3)cs2)cc([N+](=O)[O-])cc1[N+](=O)[O-] 1872746268 ABJWFGGIIGKGDM-SDXDJHTJSA-N 487.291 5.647 50 10 JKGE COc1ccc(Cl)cc1N1C[C@@H](/C(O)=C(\C#N)c2nc(-c3cccc(Cl)c3)cs2)CC1=O 1872748018 DFMWZIWZSRQOJX-AEWZPABSSA-N 486.380 5.971 50 10 JKGE CCCCCCCOc1ccc(-c2csc(/C(C#N)=C(\O)C3CCC(CCCC)CC3)n2)cc1 1872753107 HUBMSJKGXKFCNC-SGEDCAFJSA-N 480.718 8.949 50 10 JKGE COc1ccc(-c2csc(/C(C#N)=C(\O)[C@H]3CC(=O)N(Cc4ccccc4)C3)n2)c(C)c1C 1872753920 UUGBWHXIJMBOFG-GYGWLHPRSA-N 459.571 5.277 50 10 JKGE CCOC(=O)Oc1ccc(/C(O)=C(\C#N)c2nc(-c3cc(Cl)cc(Cl)c3OC)cs2)cc1 1872754143 FFNCFWYWEXRQBP-MNDPQUGUSA-N 491.352 6.611 50 10 JKGE CCC[C@H]1CC[C@H]([C@H](Br)c2c(Br)sc(Br)c2Cl)CC1 1878021258 RDXONILLXWKIEW-QXEWZRGKSA-N 493.530 7.969 50 10 JKGE C[C@@H](CBr)N(Cc1ccccc1)Cc1cc(I)ccc1Cl 1893660838 DGSUOZPCKUFPCH-ZDUSSCGKSA-N 478.599 5.730 50 10 JKGE CC[C@@H](Br)CN(Cc1ccccc1)S(=O)(=O)c1ccc(Cl)c(Cl)c1 1915078785 UYKAKFBVAZLUHB-CQSZACIVSA-N 451.213 5.358 50 10 JKGE C[C@@H](CCBr)N(Cc1ccccc1)C(=O)c1sccc1I 1915107965 YFFOQVQXMFWJBE-LBPRGKRZSA-N 478.193 5.169 50 10 JKGE Cc1cccc(Br)c1C(=O)N(Cc1ccccc1)[C@@H](CBr)C(C)C 1915294056 UKECBBRDSPZJIC-SFHVURJKSA-N 453.218 5.819 50 10 JKGE CC(C)[C@H](CBr)N(Cc1ccccc1)S(=O)(=O)c1ccc(Br)cc1F 1915295635 LZJIBJGGCGGIKS-KRWDZBQOSA-N 493.236 5.199 50 10 JKGE Cc1cc2nc([C@@H](C)Cl)n(CC3(N(Cc4ccccc4)Cc4ccccc4)COC3)c2cn1 1917612333 KVHRNKBWVKUEHA-OAQYLSRUSA-N 461.009 5.511 50 10 JKGE O=C(c1cc(Br)sc1Br)N1CC[C@@]2(CCC[C@@H]2Br)C1 1918915991 KUCCIMISUGFDQY-ZANVPECISA-N 472.040 5.053 50 10 JKGE COc1cccc([C@H](Br)c2sc(Br)c(C)c2Br)c1C 1922906457 JOGIZESRBIQVBX-LBPRGKRZSA-N 469.036 6.383 50 10 JKGE Cc1c(Br)sc([C@H](Br)c2ccc(Cl)cc2F)c1Br 1922954615 PWXOSPSKDICSBI-SNVBAGLBSA-N 477.418 6.858 50 10 JKGE CC1(C)CO[C@H](C[C@H](Br)c2c(Br)sc(Br)c2Cl)C1 1923067158 ZDYDVEWFPJSBKM-RQJHMYQMSA-N 481.475 6.568 50 10 JKGE Cl[C@@H](Cc1ccncc1Br)c1cc(Br)cc(Br)c1 1924047386 LJQXUPYEEAJIEJ-ZDUSSCGKSA-N 454.387 5.892 50 10 JKGE C[C@H](CC(F)(F)F)[C@H](Cl)c1c(Br)sc(Br)c1Br 1924605961 ZFAAUFABHRBUCO-CVYQJGLWSA-N 479.381 6.904 50 10 JKGE FC1(F)CCOC[C@H]1[C@H](Br)c1sc(Br)cc1Br 2001817760 AWPKXNCDYITSQO-XNCJUZBTSA-N 454.956 5.381 50 10 JKGE CN1C(=CC=NNC(=O)c2cn(-c3ccccc3)nc2-c2ccccc2)C(C)(C)c2ccccc21 2040452303 ZAECHMXFBNWFJU-UHFFFAOYSA-N 461.569 5.566 50 10 JKGE Cc1c(Cl)cc(C(=O)N(Cc2ccccc2)C2(CBr)CCC2)cc1Br 2048495380 AYRBOKDXVOXSEA-UHFFFAOYSA-N 485.647 6.371 50 10 JKGE CO[C@@H]1CC([C@H](Br)c2sc(Br)cc2Br)C[C@H]1OC 2054483672 TZPTWZWWKHISQQ-KKZNHRDASA-N 463.029 5.149 50 10 JKGE CC1(C)CC12CC([C@H](Cl)c1c(Br)sc(Br)c1Br)C2 2063994325 RDIGJODOCPAWBE-UNWJSIQESA-N 477.487 7.142 50 10 JKGE CC(C)c1cc2c(O)nc(CSCCNC(=O)CCCC[C@@H]3CCSS3)nc2s1 2068653515 HCPTWJFEFUTOBP-CQSZACIVSA-N 471.739 5.584 50 10 JKGE COCc1ccccc1[C@@H](Br)c1cc(Br)c(Br)s1 2071275801 DFSIWCGSZVHXBJ-GFCCVEGCSA-N 455.009 5.904 50 10 JKGE Fc1ccc(F)c([C@H](Br)c2c(Br)sc(Br)c2Cl)c1 2083094604 DSTMICJEBVJGMR-QMMMGPOBSA-N 481.381 6.689 50 10 JKGE CC(C)(C)c1ccc([C@H](Br)c2csc(Br)c2Br)cc1 2093942607 WHDFHMSJPJUIIR-LBPRGKRZSA-N 467.064 7.055 50 10 JKGE CC(C)(C)N1C[C@H](Cc2ccc(Br)cc2Br)[C@@H](Br)C1 2100732657 ZSGXYDWYEVAPCF-FZMZJTMJSA-N 454.044 5.248 50 10 JKGE Cc1cc(Br)c([C@@H](Br)[C@@H]2CCCC(C)(C)C2)cc1Br 2112309335 CQIWVFSQVYRBBN-ABAIWWIYSA-N 453.056 7.172 50 10 JKGE Fc1ccc(Br)c(CC[C@@H](Br)c2ccccc2Br)c1 2113441528 ISMBNERMHSKKSV-OAHLLOKOSA-N 450.971 6.420 50 10 JKGE Fc1ccc(Br)c(F)c1C[C@@H](Br)c1ccc(Br)cc1 2113491039 KILQNAUVOOFIHN-GFCCVEGCSA-N 454.934 6.169 50 10 JKGE Cn1cc([C@@H](Br)c2scc(C(F)(F)F)c2Br)c(Br)n1 2116555631 VFSPABOSYJRKLY-ZCFIWIBFSA-N 482.945 5.510 50 10 JKGE BrCC12CCC(CC1)N(Cc1cc(Br)ccc1Br)C2 2122353998 FSTWEXMZVZNHQF-UHFFFAOYSA-N 452.028 5.351 50 10 JKGE COCc1cccc([C@H](Cl)c2c(Br)sc(Br)c2Br)c1 2134746811 XVMZRJPZJIRELM-NSHDSACASA-N 489.454 6.510 50 10 JKGE Cc1ccc(C)c(C[C@@H](Br)c2ccc(Br)cc2I)c1 2142278958 KAXDBHZFEIHSLA-OAHLLOKOSA-N 494.008 6.349 50 10 JKGE COc1cc(F)c(Cl)cc1[C@@H](Br)c1ccccc1I 2142388511 LCULXDNXKYQQGW-AWEZNQCLSA-N 455.492 5.577 50 10 JKGE COc1cc(Br)c(C)cc1[C@@H](Br)c1cc(C)cc(Br)c1 2145961832 KBVYPYPAGHQBPK-INIZCTEOSA-N 463.007 6.321 50 10 JKGE COc1cc(Br)ccc1[C@H](Br)c1cc(C2CC2)c(Br)s1 2151034358 YECSKFXUSDQXJH-AWEZNQCLSA-N 481.047 6.643 50 10 JKGE Cc1cc(Br)c(C)c([C@@H](Cl)c2cc(Cl)ccc2Cl)c1Br 2201076627 HEEGZMGCKDQTDE-HNNXBMFYSA-N 457.420 7.463 50 10 JKGE CO[C@@H]1CCC[C@H]([C@@H](Br)c2c(C)c(Br)cc(C)c2Br)C1 2201080323 YAGFOXLLRVGISI-HWWQOWPSSA-N 469.055 6.470 50 10 JKGE COc1cc(Cl)c([C@@H](Br)c2c(Br)nn(C)c2C)cc1Br 2202350983 HCOUBPICYNOIQZ-GFCCVEGCSA-N 487.417 5.400 50 10 JKGE COc1ccc(Br)cc1[C@@H](Br)c1cc(Br)c(Cl)cc1C 2202351882 KVBOEELVQHMLBV-HNNXBMFYSA-N 483.425 6.666 50 10 JKGE COc1cc(F)c([C@@H](Br)c2ccc(Br)cc2C)cc1Br 2202902481 RCNAUWNNORFBOM-HNNXBMFYSA-N 466.970 6.152 50 10 JKGE COCC1([C@H](Br)c2ccc(Br)c(C)c2Br)CCCCC1 2203681685 DFDYVFODSDPUCT-OAHLLOKOSA-N 469.055 6.553 50 10 JKGE CCOc1ccc(Br)cc1[C@H](Cl)c1ccc(I)c(C)c1 2207101335 GBPSLHHJSDTLHZ-MRXNPFEDSA-N 465.556 6.089 50 10 JKGE O=C(NC1(CCl)CCCCCC1)c1ccc(Br)cc1I 2207276741 ZBRWTIKVKGZRQJ-UHFFFAOYSA-N 470.576 5.115 50 10 JKGE C[C@@H](Br)C[C@H]1CCCCCN1Cc1ccc(I)c(Cl)c1 2208036292 MDFDTBCKOAMWPO-TZMCWYRMSA-N 470.620 5.863 50 10 JKGE COc1ccc(C(=O)N(Cc2ccccc2)C2(CBr)CCC2)c(Br)c1 2223968532 QCLUWPHSGTXEKR-UHFFFAOYSA-N 467.201 5.418 50 10 JKGE Cc1cc(Br)c([C@H](Br)c2cc(Cl)n(C)n2)c(C)c1Br 2227370072 PGQMOOHCQNDFNO-CYBMUJFWSA-N 471.418 5.700 50 10 JKGE Cc1cc(Br)c([C@H](Br)[C@@H]2CCC[C@H](C)CC2)c(C)c1Br 2235600898 SQKNRXYFIOJZJI-MNRXQERYSA-N 467.083 7.481 50 10 JKGE Cc1cc(Br)c([C@@H](Br)c2cc3c(s2)CCC3)c(C)c1Br 2235602147 CNRWRJVGEMSJFJ-INIZCTEOSA-N 479.075 6.863 50 10 JKGE Cc1cc(Br)c([C@H](Cl)c2cc3sccc3s2)c(C)c1Br 2235606896 XPFGOZGMDOFBAQ-OAHLLOKOSA-N 450.648 7.433 50 10 JKGE CCc1nc([C@H](Br)c2cc(C)c(OC)cc2Br)c(Br)s1 2236023660 LNSLPAOETNKTKB-GFCCVEGCSA-N 484.051 6.032 50 10 JKGE Cc1cc(Br)c([C@@H](Br)c2ccc(C)c(F)c2F)cc1Br 2239629383 UDIZQEAFPOXTOL-ZDUSSCGKSA-N 468.961 6.591 50 10 JKGE CC1(NC(=O)OCc2ccccc2)CCC([C@H](CBr)NC(=O)OC(C)(C)C)CC1 2241898750 AYTQYNBXINCTNE-DKTYTTGXSA-N 469.420 5.150 50 10 JKGE C=CC[C@]1(CBr)CCN(Cc2cc(Cl)ccc2I)C1 2272111150 RONCVCGDMXLHNU-OAHLLOKOSA-N 454.577 5.108 50 10 JKGE C[C@H]1CCC[C@](CI)(OCc2cc(Br)ccc2Cl)C1 2277806767 MMZXKEMQFBERLM-NHYWBVRUSA-N 457.577 6.003 50 10 JKGE COc1ccc([C@@H](Br)c2sccc2I)c(OC)c1C 2277979621 AASMLHUEIRMQHO-GFCCVEGCSA-N 453.139 5.163 50 10 JKGE Fc1ccc(Br)c([C@@H](Br)c2cc3sc(Br)cc3s2)c1 2278025895 WMIGGZSZVDGGSX-CYBMUJFWSA-N 485.035 7.111 50 10 JKGE CC1CCC(CBr)(NC(=O)c2ccc(Cl)c(I)c2)CC1 2283651040 CYEYIDUYFORHPE-UHFFFAOYSA-N 470.576 5.018 50 10 JKGE O=C(NC1(CCBr)CCCCC1)c1ccc(Cl)c(I)c1 2283660283 CBJAYSZLCPAZLH-UHFFFAOYSA-N 470.576 5.162 50 10 JKGE O=C(c1ccc(Cl)c(I)c1)N(CCBr)Cc1cccs1 2283665507 WDROOUHFDHSWHG-UHFFFAOYSA-N 484.584 5.043 50 10 JKGE FC(F)[C@@H]1CCC[C@@H]1[C@@H](Br)c1c(Br)cc(Cl)c(Cl)c1Cl 2285683763 UGTCWJYUHBTAKP-BAJZRUMYSA-N 471.394 7.527 50 10 JKGE Cc1cc(F)c(Br)cc1[C@H](Br)c1cc(F)c(Br)cc1F 2285984005 NZJIEIZDBNMNIH-AWEZNQCLSA-N 472.924 6.422 50 10 JKGE COc1c(C(C)C)cc(Br)cc1[C@H](Br)c1cocc1Br 2285994062 SUGLKVDEFIJETD-AWEZNQCLSA-N 466.995 6.421 50 10 JKGE COc1ccc(Br)c2c1nc([C@@H](C)Cl)n2CCCCOCc1ccccc1 2286084443 RFMYYWJTZRQHRP-OAHLLOKOSA-N 451.792 6.104 50 10 JKGE CCC1CCC(CI)(OCc2cc(Br)ccc2Cl)CC1 2295173154 HJIFBBFRXKTHGA-UHFFFAOYSA-N 471.604 6.393 50 10 JKGE C[C@@]1([C@H](Br)Cc2cc(Br)cc(Br)c2)CCCC(F)(F)C1 2295330033 PYHRMEOKOQBJDD-ZIAGYGMSSA-N 475.009 6.733 50 10 JKGE Cc1ccc(-c2csc(C(C#N)=CNc3ccc(Cl)cc3C(=O)c3ccccc3)n2)c(C)c1 2295934400 QTWIUJCHXPZSFA-UHFFFAOYSA-N 469.997 7.288 50 10 JKGE COC(=O)c1ccccc1NC(=O)C(C#N)=Cc1ccc(-c2ccc(Br)cc2)o1 2297209543 JKKPYILZLKHLQA-UHFFFAOYSA-N 451.276 5.041 50 10 JKGE COc1cc(C=C(C#N)C(=O)Nc2nc3ccccc3s2)ccc1OCCCOc1ccccc1 2297499622 QDLIDZFMLUYGIM-UHFFFAOYSA-N 485.565 5.698 50 10 JKGE CCc1ccsc1[C@H](Br)c1cc(Br)ccc1OCc1ccccc1 2299502568 XOVLMRSVNUDDCJ-LJQANCHMSA-N 466.238 7.136 50 10 JKGE Cn1nc(Br)c([C@@H](Cl)c2ccc(OCc3ccccc3)cc2Br)n1 2299529530 COXUDEBTAPFNEP-HNNXBMFYSA-N 471.580 5.247 50 10 JKGE C[C@@H]1CC[C@@H](C[C@@H](Br)c2cc(Br)ccc2OCc2ccccc2)O1 2299536638 ZLWIHCIUAVDSDB-DKSSEZFCSA-N 454.202 6.422 50 10 JKGE CCOc1cc(Br)c(C=C(C#N)C(=O)Nc2cccc(Cl)c2C)cc1OCC 2313676566 DNBYDJUMOCSACP-UHFFFAOYSA-N 463.759 5.754 50 10 JKGE FC(F)(C1CCCC1)[C@@H](Br)c1ccc(OCc2ccccc2)cc1Br 2314445081 NSGHQAWJOWJUGP-IBGZPJMESA-N 474.183 7.290 50 10 JKGE C[C@H]1O[C@@]2([C@@H](Br)c3cc(Br)ccc3OCc3ccccc3)CC[C@H]1C2 2314445896 QSZOZPWCWDDJOE-CLUDHOEWSA-N 466.213 6.422 50 10 JKGE Brc1ccc(OCc2ccccc2)c([C@@H](Br)C2CC3(CCCC3)C2)c1 2314451665 HADAKPPEPADTFY-NRFANRHFSA-N 464.241 7.435 50 10 JKGE COc1ccc(-c2nn(-c3ccccc3)cc2C=C(C#N)c2nc(-c3ccc(C)cc3)cs2)cc1 2314488252 MUAMJPAVRMUHDN-UHFFFAOYSA-N 474.589 7.044 50 10 JKGE N#CC(=Cc1cn(-c2ccccc2)nc1-c1cccc2ccccc12)C(=O)Nc1ccc2ccccc2c1 2314489518 QVPKEKKCSNLKDY-UHFFFAOYSA-N 490.566 7.391 50 10 JKGE C=CCNC(=O)C(C#N)=C1S[C@@H](Cc2ccc(C(C)C)cc2)C(=O)N1c1ccc(C)c(C)c1 2314593059 GTUZDTBZCNGFOF-DEOSSOPVSA-N 459.615 5.155 50 10 JKGE CCCCOc1ccc(C=C(C#N)C(=O)Nc2cc(OC)c(C(=O)OCC)cc2Cl)cc1 2314792824 GFMIMVIHWCRJJK-UHFFFAOYSA-N 456.926 5.250 50 10 JKGE C[C@@H]1C[C@@]2([C@@H](Br)c3c(Cl)cc(Br)c(F)c3Br)C[C@@H]12 2315442093 PEGAIAPZRXPIGK-JSLHKWLSSA-N 461.394 6.486 50 10 JKGE CCc1ccc([C@@H](C)NC=C(C#N)C(=O)N2CCN(C(c3ccccc3)c3ccccc3)CC2)cc1 2324599307 SDFIERCLJRBSBU-XMMPIXPASA-N 478.640 5.241 50 10 JKGE CC[C@@H](NC(=O)C(C#N)=CNc1ccc(C)cc1Br)c1ccc2c(c1)CCCC2 2325092988 RGUYXARAQKKEOG-JOCHJYFZSA-N 452.396 5.723 50 10 JKGE O=C(CCCc1ccc(Cl)cc1)NN=C1C(=O)N(Cc2ccccc2Cl)c2ccccc21 2326841535 VQNMQTWTYXQRLM-UHFFFAOYSA-N 466.368 5.383 50 10 JKGE N#CC(=C(O)C(c1ccccc1)c1ccccc1)c1nc(-c2ccc(Cl)cc2Cl)cs1 2331250697 VKKKAGNETIHSLM-UHFFFAOYSA-N 463.389 7.742 50 10 JKGE CC(C)c1csc(C(C#N)=C(O)c2cccc(N3COc4ccc5ccccc5c4C3)c2)n1 2331328837 SBKJXXIDOKXSCR-UHFFFAOYSA-N 453.567 6.726 50 10 JKGE Cc1ccc(C(C)(C)C)cc1-c1csc(C(C#N)=C(O)[C@H]2CC(=O)N([C@@H](C)c3ccccc3)C2)n1 2331396320 LPROOTFOEZQQEM-FPOVZHCZSA-N 485.653 6.818 50 10 JKGE N#CC(=Cc1cc(Br)ccc1O)c1nc(-c2ccc(Br)cc2)cs1 2331429862 NXPHRTJAWXLZHZ-UHFFFAOYSA-N 462.166 6.105 50 10 JKGE CCOc1ccc(-c2csc(C(C#N)=Cc3ccc(OCc4ccccc4)c(OC)c3)n2)cc1 2331440384 MIWMXFPWFWOKGP-UHFFFAOYSA-N 468.578 6.861 50 10 JKGE CCOc1c(Br)cc(C=C(C#N)c2nc(-c3c[nH]c4ccccc34)cs2)cc1OC 2331460002 GKOGRMZGYIZMFE-UHFFFAOYSA-N 480.387 6.525 50 10 JKGE Cc1cc([C@@H](Cl)c2c(Cl)cc(Br)c(F)c2Br)oc1Br 2337085661 BMBIFFSXKNBURA-SNVBAGLBSA-N 495.795 6.996 50 10 JKGE CCCN[C@H](c1c(Cl)cc(Br)c(F)c1Br)[C@H]1C[C@@H]1Br 2337108496 GJTSSXFCURFNRL-MREMCGJQSA-N 478.425 5.828 50 10 JKGE CCCc1sc(Br)cc1[C@H](Br)c1cc(C)cc(Br)c1 2338023954 NMSWASWYWSCJLU-OAHLLOKOSA-N 467.064 7.018 50 10 JKGE Fc1ccc(C(F)F)c([C@H](Br)c2cc(Br)c(Br)s2)c1 2338367243 KONZJPIRZQVKSA-JTQLQIEISA-N 478.953 6.834 50 10 JKGE Clc1cc(Br)c(C[C@H](CBr)Cc2cccc(Br)c2)s1 2346064803 VFSPUEZMTRRAMV-SNVBAGLBSA-N 487.482 6.723 50 10 JKGE CCc1cc(Br)c(OC)c([C@H](Br)c2sccc2Br)c1 2353038086 ODBPKORINGZJSW-LBPRGKRZSA-N 469.036 6.328 50 10 JKGE CC(C)n1nc(Br)nc1C[C@@H](Br)c1cccc(Br)c1 2353772735 XCHDTRNDOGQPKO-LLVKDONJSA-N 451.988 5.063 50 10 JKGE FC(F)(F)[C@]12C[C@]([C@H](Br)c3ccc(Br)cc3Br)(CO1)C2 2363838410 JEYOMOZVSJJESG-IJLUTSLNSA-N 478.928 5.759 50 10 JKGE CC[C@H](C[C@@H](Br)c1c(C)cc(Br)c(F)c1Br)C(C)(C)C 2365188072 HTADKKJVEKLZLW-GHMZBOCLSA-N 473.062 7.558 50 10 JKGE CCCC[C@@H](CC)[C@H](Br)c1c(C)cc(Br)c(OC)c1Br 2365189850 ZADSAWJARPHMPF-RISCZKNCSA-N 471.071 7.181 50 10 JKGE C[C@@H]1C[C@H]2C[C@]([C@@H](Br)c3c(Cl)cc(Br)c(F)c3Br)(C2)O1 2368521699 URSNDVDLSQXJRE-BVDAKZFTSA-N 491.420 6.398 50 10 JKGE CCCc1sc(Br)cc1[C@@H](Br)c1cc(F)c(Cl)cc1Cl 2379732944 BHKFEIGVCKYNRV-AWEZNQCLSA-N 461.021 7.393 50 10 JKGE N#C/C(=C/c1cccc(OCc2ccccc2Cl)c1)C(=O)Nc1cc(Cl)cc(Cl)c1 3232156 KXRQYIYLDGQGFV-IUXPMGMMSA-N 457.744 6.771 50 10 JKGE CCCCCCOc1ccc(C(=O)NNC(=S)NC(=O)c2ccccc2OCCC(C)C)cc1 14034507 HHIYUTYFTQEKMH-UHFFFAOYSA-N 485.650 5.020 50 10 JKGE CC(C)Oc1ccccc1C(=O)NNC(=O)c1ccc(NC(=O)c2ccc(C(C)(C)C)cc2)cc1 14664286 YOVWNNUKUGLGBF-UHFFFAOYSA-N 473.573 5.098 50 10 JKGE CC(C)NC(=O)/C(C#N)=C\c1ccc(OC(=O)CCCOc2ccc(Cl)cc2Cl)cc1 33378565 VDZNWSBLFJZFKW-ATVHPVEESA-N 461.345 5.190 50 10 JKGE Cc1ccc(NC(=O)/C(C#N)=C2/S[C@H](Cc3ccccc3C)C(=O)N2c2ccc(C)cc2)cc1 33498875 ZNLHRHBTFXMODL-NJEMLTPYSA-N 467.594 5.677 50 10 JKGE N#CC1=C(N)Oc2cc(OC(=O)c3ccccc3Br)ccc2[C@H]1c1ccccc1Cl 38650969 MMYXVUXEQBCKBI-OAQYLSRUSA-N 481.733 5.540 50 10 JKGE Cc1c(C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@@H]3c2cccc(Cl)c2)oc2ccccc12 38687689 YUGBZGLJZGKASM-HSZRJFAPSA-N 456.885 5.832 50 10 JKGE CCOC(=O)c1c(-c2ccc(C)cc2C)csc1NC(=O)/C(C#N)=C/c1ccccc1OC 40977785 LWMVEGAVERQCRD-CPNJWEJPSA-N 460.555 5.763 50 10 JKGE O=C(CC[C@@H](O)c1ccccc1)N/N=C\c1ccccc1OCc1ccc(Cl)c(Cl)c1 58892364 HHEKDQBOKGAKAA-RJNBOEKGSA-N 457.357 5.536 50 10 JKGE Cn1ccnc1Sc1ccc(/C=C(/C#N)C(=O)Nc2ccccc2C(F)(F)F)cc1[N+](=O)[O-] 96669730 KYYZDRMVWAKLOR-UVTDQMKNSA-N 473.436 5.044 50 10 JKGE Clc1ccc(C[C@H](Br)c2cccc(I)c2)cc1Cl 110305639 RGHWKJBYNRWDHC-LBPRGKRZSA-N 455.948 6.277 50 10 JKGE C[C@]12CC[C@H]3[C@@H](CC=C4C[C@H](OC(=O)/C=C/c5ccccc5)CC[C@@]43C)[C@@H]1CC/C2=N/NC(N)=O 118919595 NMEUWUBEWUDIDC-YBWGDDNYSA-N 475.633 5.599 50 10 JKGE FC(F)(F)Oc1ccc([C@H](Br)c2cc(Br)ccc2Br)cc1 131397065 VHSBDONIQPPJEQ-ZDUSSCGKSA-N 488.923 6.595 50 10 JKGE C[C@](CI)(OCCOc1ccccc1)c1ccccc1Br 162093105 MOASCQGUQFZKDE-QGZVFWFLSA-N 461.137 5.195 50 10 JKGE CCCC[Si]1(C)O[Si](C)(CCCC)O[Si](C)(CCCC)O[Si](C)(CCCC)O1 195766021 WRMMUMWFPNLNGA-UHFFFAOYSA-N 464.944 7.555 50 10 JKGE CCCCNC(=O)/C(C#N)=C\c1ccc(OC(=O)/C=C\c2ccc(OCCC(C)C)c(OC)c2)cc1 207154479 XMKUUSSGBNXERV-FJJLRWPESA-N 490.600 5.562 50 10 JKGE CCCOc1ccc([C@@H](Br)c2cc(Br)ccc2Cl)cc1Br 229005423 SQHAUHRSOPEAHZ-MRXNPFEDSA-N 497.452 7.138 50 10 JKGE CCCOc1ccc([C@H](Br)c2cccc(Br)c2Cl)cc1Br 229008007 LROVEMPAMHULFD-HNNXBMFYSA-N 497.452 7.138 50 10 JKGE Fc1ccc(Br)c(F)c1COc1ccc(Br)c(CBr)c1 230316639 CESCKITWVPYABE-UHFFFAOYSA-N 470.933 5.964 50 10 JKGE COc1c(C)cc(Br)c(C)c1[C@H](Br)c1ccoc1Br 235029147 IPXJHFSWSSYXST-GFCCVEGCSA-N 452.968 5.914 50 10 JKGE O=C(NN=Cc1ccccc1OCc1ccccc1)c1ccc(NC(=O)c2ccc(F)cc2)cc1 252585151 GNKSGKDTEUWHSB-UHFFFAOYSA-N 467.500 5.421 50 10 JKGE COc1ccc(C=NNC(=O)c2cc(-c3cccc(Br)c3)nc3ccccc23)cc1 252618229 LFGNIUKSMXWOJP-UHFFFAOYSA-N 460.331 5.437 50 10 JKGE CCOc1cc(C=NNC(=O)COc2cc(C(C)C)ccc2C)ccc1OC(=O)c1ccccc1 254408477 RKGZAHNJKXUEPL-UHFFFAOYSA-N 474.557 5.265 50 10 JKGE O=C(NN=Cc1c(O)ccc2ccccc12)c1ccc(CN2CCC(Cc3ccccc3)CC2)cc1 254442181 XYUQRZQHYTUXHN-UHFFFAOYSA-N 477.608 5.764 50 10 JKGE CC(=NNC(=O)c1cc(-c2ccc(Cl)cc2)nc2ccc(Cl)cc12)c1cccc(OC(C)C)c1 254484968 WHTWIWAZFGCWCP-UHFFFAOYSA-N 492.406 7.150 50 10 JKGE Fc1cccc(Br)c1[C@H](Br)c1cc2c(cc1Br)OCC2 308416401 OENUGBUTMNZKPG-OAHLLOKOSA-N 464.954 5.770 50 10 JKGE C[C@@H]([C@@H]1CCN(Cc2ccccc2)C1)n1c(CCl)nc2cc(I)ccc21 311659814 NQIQISRKWGKYPS-DOTOQJQBSA-N 479.793 5.463 50 10 JKGE CC[C@@H]1CCC[C@@H](Oc2c(Br)cc(Br)cc2CBr)C1 388874060 GCHXKLITXSZPFI-ZWNOBZJWSA-N 455.028 6.454 50 10 JKGE FC(F)(F)c1csc([C@H](Cl)c2ccc(I)cc2)c1Br 388911209 NCYKBUGFROBTSC-SNVBAGLBSA-N 481.502 6.462 50 10 JKGE C[C@H]1[C@@H](C)N(c2ccc(Br)cc2CBr)C[C@@H](C)N1Cc1ccccc1 404260320 DAKOCTIBKWADTP-IXDOHACOSA-N 466.261 5.832 50 10 JKGE Clc1cccc(C[C@@H](CBr)Cc2cc(Cl)ccc2I)c1 405538775 QJWVOSQFLGPQDX-GFCCVEGCSA-N 484.002 6.394 50 10 JKGE CC(C)(C)OC(=O)N1c2ccccc2NC[C@H]1c1ccccc1CCO[Si](C)(C)C(C)(C)C 616584265 JSFBYCAIDFZYMM-DEOSSOPVSA-N 468.714 7.159 50 10 JKGE CC(C)(C)OC(=O)Nc1cccc([C@@H]2CN(CCO[Si](C)(C)C(C)(C)C)c3ccccc3N2)c1 616693757 YHDDASMVWDUWOH-QHCPKHFHSA-N 483.729 7.029 50 10 JKGE C[C@H]1[C@@H](Br)C[C@H]2CC[C@H]1N2C(=O)c1cc(Br)sc1Br 686196029 WTSHYAIKLBEVJH-WPYKOPORSA-N 472.040 5.050 50 10 JKGE Clc1ccc(Br)c(Oc2cc(Br)ccc2CBr)c1 708121827 NPYLSOIURUIEEE-UHFFFAOYSA-N 455.371 6.552 50 10 JKGE Clc1cc([C@@H](Cl)c2ccc(I)c(Br)c2)c(Cl)s1 721584194 CJDWDSQEBVHEJR-JTQLQIEISA-N 482.395 6.750 50 10 JKGE CN(C)C(=O)/C(C#N)=C/c1cc(Cl)c(OCc2ccc(Br)cc2)c(Br)c1 1083912926 FEORPGAGGBBXNA-VGOFMYFVSA-N 498.602 5.439 50 10 JKGE Cc1ccc(COc2ccc(Br)cc2C=NNC(=O)c2cc3ccccc3o2)cc1 1084011197 XQNPSHYPFCDDOJ-UHFFFAOYSA-N 463.331 5.847 50 10 JKGE O=C(NN=Cc1cc(Br)ccc1OCc1ccc(Cl)cc1)c1cc2ccccc2o1 1084562681 PFPDJSPALQTYQS-UHFFFAOYSA-N 483.749 6.192 50 10 JKGE FC(F)(F)c1ccc(Br)c([C@H]2CN(Cc3ccccc3)C[C@H]2CBr)c1 1614689948 CLQUWVABKHCEDB-PBHICJAKSA-N 477.162 6.078 50 10 JKGE FC(F)(F)c1ccc(Br)c([C@@H]2CN(Cc3ccccc3)C[C@H]2CBr)c1 1614689979 CLQUWVABKHCEDB-RHSMWYFYSA-N 477.162 6.078 50 10 JKGE Cc1ccc(NC(=O)c2oc3c(c2C)C(=NNC(=O)c2ccc(Cl)cc2)CCC3)cc1Cl 1772744090 SJQNEROZPDUVCD-UHFFFAOYSA-N 470.356 5.926 50 10 JKGE COc1cc(C=NNC(=O)COc2cc(C)ccc2C(C)C)ccc1OCc1ccc(C)cc1 1772754695 QBWLUDSTKNVXSM-UHFFFAOYSA-N 460.574 5.544 50 10 JKGE N#CSc1ccc(NC(=O)Oc2ccc(CNC(=O)CCCOc3ccccc3)cc2)cc1 1858898680 LSSAUOIQOPZSNS-UHFFFAOYSA-N 461.543 5.346 50 10 JKGE CCOC(=O)c1cnn(-c2cc(C)c3cc(C)cc(C)c3n2)c1N/C(C=O)=C\c1ccccc1C 1859489783 OMIQVQRVOVYWHR-HMAPJEAMSA-N 468.557 5.483 50 10 JKGE CCOC(=O)c1c(-c2ccc(Cl)cc2)csc1NC(=O)C(=O)Nc1ccc(SC#N)cc1 1860746603 UIQAKCXJGUHNIL-UHFFFAOYSA-N 485.974 5.396 50 10 JKGE COc1ccc(-n2nc(C(F)(F)F)c3c2OC(N)=C(C#N)[C@H]3c2ccc(C(C)(C)C)cc2)cc1 1865682069 FAXXWIGBPQZIJZ-LJQANCHMSA-N 468.479 5.415 50 10 JKGE Cc1nn(Cc2ccc(Cl)c(Cl)c2)c2c1[C@H](c1ccc(Cl)c(Cl)c1)C(C#N)=C(N)O2 1865685269 HJVVYOZELZIGIF-LJQANCHMSA-N 480.182 6.072 50 10 JKGE COc1ccc(-c2nn(Cc3ccccc3F)c3c2[C@@H](c2ccccc2Cl)C(C#N)=C(N)O3)cc1 1865685762 MNIPIFIWBHXGRN-QHCPKHFHSA-N 486.934 5.618 50 10 JKGE CCCc1nn(Cc2cccc(F)c2)c2c1[C@H](c1c(Cl)cccc1Cl)C(C#N)=C(N)O2 1865686206 SATMQGRZQHAPRH-IBGZPJMESA-N 457.336 5.548 50 10 JKGE CCCc1nn(-c2ccc(Br)cc2)c2c1[C@H](c1cccc(OCC)c1)C(C#N)=C(N)O2 1865690127 JHASLUURBXAYAT-OAQYLSRUSA-N 479.378 5.204 50 10 JKGE CCCn1nc(C(F)(F)F)c2c1OC(N)=C(C#N)[C@H]2c1ccc(OCc2ccccc2)cc1 1865690509 TUPKSBARECJPDK-LJQANCHMSA-N 454.452 5.109 50 10 JKGE CCCCOc1ccc([C@H]2C(C#N)=C(N)Oc3c2c(CCC)nn3-c2ccc(OC)cc2)cc1OC 1865696737 JVMLHLVUONBHEW-VWLOTQADSA-N 488.588 5.239 50 10 JKGE CCCc1nn(-c2ccc(Cl)c(Cl)c2)c2c1[C@H](c1c[nH]c3ccccc13)C(C#N)=C(N)O2 1865698810 CZULCPNPMYSJDY-NRFANRHFSA-N 464.356 5.831 50 10 JKGE Cc1ccsc1[C@H]1C(C#N)=C(N)Oc2c1c(C(F)(F)F)nn2Cc1cccc(Cl)c1 1865699236 OCVSEZCRHVJLHR-AWEZNQCLSA-N 450.873 5.192 50 10 JKGE N#CC1=C(N)Oc2c(c(-c3ccccc3)nn2-c2ccc(Cl)c(Cl)c2)[C@H]1c1ccc(F)cc1F 1865701774 FABCUBNEHASUEQ-NRFANRHFSA-N 495.316 6.342 50 10 JKGE Cc1nn(-c2ccccn2)c2c1[C@@H](c1ccccc1OCc1ccccc1Cl)C(C#N)=C(N)O2 1865702866 HELKGSALSBQPFV-DEOSSOPVSA-N 469.932 5.026 50 10 JKGE Cc1nn(Cc2ccc(Cl)c(Cl)c2)c2c1[C@@H](c1ccccc1OC(C)C)C(C#N)=C(N)O2 1865705279 QIARIJRZTDQJEB-QFIPXVFZSA-N 469.372 5.552 50 10 JKGE Cc1nc(-c2ccc(F)cc2F)ccc1C(=O)N/N=C\c1cc(Cl)cc(Br)c1O 1865760882 UFULFCSCSMUYSE-MWYAZZEHSA-N 480.696 5.221 50 10 JKGE COc1cccc(-c2cc(C(=O)N[C@@H](C(=O)Nc3ccc(SC#N)cc3)c3ccccc3)no2)c1 1867145421 FIIXKYXGSSZNJR-XMMPIXPASA-N 484.537 5.033 50 10 JKGE COc1ccc2c(c1)[C@H](c1ccccc1)N(c1cc(Nc3ccc(SC#N)cc3)nc(C)n1)CC2 1868479842 CAZISXVXKPSFSB-NDEPHWFRSA-N 479.609 6.263 50 10 JKGE C[C@@H]1COCCN1c1cc(Nc2ccc(SC#N)cc2)nc(-c2ccc(C(C)(C)C)cc2)n1 1868544364 CPHAMVHYJDIDKH-GOSISDBHSA-N 459.619 5.983 50 10 JKGE COc1ccc2c(c1)CCN(c1cc(Nc3ccc(SC#N)cc3)nc(-c3cccnc3)n1)[C@@H]2C 1868565946 RAZJSSKCLNPYND-GOSISDBHSA-N 480.597 5.988 50 10 JKGE COc1cccc(/C=C(\C#N)c2nc3ccccc3[nH]2)c1OCc1ccc(Cl)c(Cl)c1 1872726785 KMEDIUJHYMUDAA-SFQUDFHCSA-N 450.325 6.521 50 10 JKGE COc1cc2nc(/C(C#N)=C/c3ccc(OCc4ccccc4F)cc3)nc(O)c2cc1OC 1872727464 COJXHKGSGSFELO-WOJGMQOQSA-N 457.461 5.135 50 10 JKGE CCOc1ccc(-c2csc(/C(C#N)=C(\O)[C@@H]3CC(=O)N([C@@H](C)c4ccccc4)C3)n2)cc1 1872747894 YGBIIAKTPUARBR-WHULGRIESA-N 459.571 5.611 50 10 JKGE CC[C@H](C)N1C(=O)c2ccc(/C(O)=C(\C#N)c3nc(-c4ccc(C)cc4C)cs3)cc2C1=O 1872748998 XEUQTGQHHXEADN-FRKCRFBYSA-N 457.555 5.771 50 10 JKGE COc1ccc(-c2csc(/C(C#N)=C(\O)[C@H]3CC(=O)N([C@H](C)c4ccccc4)C3)n2)cc1F 1872752457 CYXZNJWUXONCKG-YPTMZGJPSA-N 463.534 5.360 50 10 JKGE COc1ccc(-c2csc(/C(C#N)=C(\O)c3ccc(Cl)c(Cl)c3)n2)c2ccccc12 1872758526 FIUDYJGTUHWASZ-XLNRJJMWSA-N 453.350 7.229 50 10 JKGE CCc1ccc(-c2csc(/C(C#N)=C/c3ccc(OCc4ccc(C)cc4)c(OC)c3)n2)cc1 1872781642 NREFXJXAFRSBDH-MFKUBSTISA-N 466.606 7.333 50 10 JKGE N#C/C(=C\c1cc(Br)cc(Br)c1O)c1nc(-c2ccc(F)cc2F)cs1 1872784262 GWLQQXHKCGKPML-XCVCLJGOSA-N 498.146 6.383 50 10 JKGE CCOc1ccc(-c2csc(/C(C#N)=C/c3ccccc3OCc3ccccc3Cl)n2)cc1 1872790577 RIKSCZAVZLUPIN-PXLXIMEGSA-N 472.997 7.505 50 10 JKGE COc1cc(/C=C(\C#N)c2nc(-c3cc(C)ccc3C)cs2)ccc1OCc1ccccc1 1872790793 FKBPODBQZXLLGL-OEAKJJBVSA-N 452.579 7.079 50 10 JKGE COc1cc(/C=C(\C#N)c2nc(-c3cc(Cl)cc(C)c3OC)cs2)cc(OC)c1OC 1872793935 BDQDOMMIAHDXJX-VIZOYTHASA-N 456.951 5.871 50 10 JKGE Brc1cc([C@@H](Br)[C@H]2C[C@@H](Br)C2)c(Br)s1 1893106311 FFKMHWPEBQIRIN-UUEMRFSQSA-N 467.846 5.883 50 10 JKGE Brc1cccc(Br)c1CO[C@H]1CCC[C@@H]1I 1901777979 NAHHVPJZUJIMDP-RYUDHWBXSA-N 459.947 5.084 50 10 JKGE COc1ccc(C(=O)N(Cc2ccccc2)[C@@H](CBr)C(C)C)cc1Br 1915325214 ZXFOGMJIQRUJPE-SFHVURJKSA-N 469.217 5.520 50 10 JKGE Cc1c(Br)sc([C@@H](Cl)c2cc3c(s2)CCCCC3)c1Br 1922896480 FSOWGRWWSQXYGD-ZDUSSCGKSA-N 454.680 7.240 50 10 JKGE Cc1c(Br)sc([C@H](Br)[C@@H]2C[C@H]3O[C@H]2[C@H]2C[C@@H]23)c1Br 1922921300 PLEICGJXKACFQF-TYRBBEAZSA-N 457.025 5.441 50 10 JKGE Fc1cc([C@@H](Cl)c2c(Br)sc(Br)c2Cl)ccc1Cl 1923050338 SYFPENPHZCVXCO-MRVPVSSYSA-N 453.385 7.047 50 10 JKGE Clc1c(Br)sc(Br)c1[C@H](Br)C[C@H]1CC[C@@H]2C[C@@H]21 1923066898 WKEXTZZUCQLLHD-OOJXKGFFSA-N 463.460 6.799 50 10 JKGE CC[C@H](CC(F)(F)F)[C@H](Cl)c1c(Br)sc(Br)c1Br 1924604919 JZWLFJNERRVZNP-FBCQKBJTSA-N 493.408 7.294 50 10 JKGE Clc1cc(Br)c([C@H](Br)c2ncsc2Br)s1 1933597573 PVWZPNMWBLUYBY-RXMQYKEDSA-N 452.418 5.867 50 10 JKGE Cc1cc(Br)c(CBr)c(N2CCCN(Cc3ccccc3)CC2)c1 2005453366 XBFAFFFMIUNXNV-UHFFFAOYSA-N 452.234 5.365 50 10 JKGE Cc1nn(C)c(Br)c1[C@H](Br)c1cc(Br)c(Cl)s1 2013203535 YDGGIZICGBICOJ-MRVPVSSYSA-N 463.420 5.453 50 10 JKGE COc1ccc([C@H](Br)c2csc(Br)c2Br)cc1C 2032959176 VYQVOJYGWLFIJB-NSHDSACASA-N 455.009 6.074 50 10 JKGE CCCC(CBr)(CBr)Cc1cc(Cl)c(C)c(Br)c1 2048495651 CXIQMVVLMHUXQG-UHFFFAOYSA-N 461.463 6.530 50 10 JKGE Cc1c(Br)sc([C@@H](Cl)c2nn(C)c(Br)c2C)c1Br 2049256257 QNQFTUVPNCJSPT-ZETCQYMHSA-N 477.447 5.714 50 10 JKGE CC(C)C[C@H](CBr)CNC(=O)c1csc(Br)c1Br 2057120119 NKLZIILETCRZPR-MRVPVSSYSA-N 462.045 5.060 50 10 JKGE CC1(C)CN(c2cc(Br)ccc2CBr)CCCN1Cc1ccccc1 2073438873 UNOSUWPSXNXYBZ-UHFFFAOYSA-N 466.261 5.835 50 10 JKGE CCN(C[C@](C)(CI)OC[C@H]1C[C@@H]1C1CCCC1)C(=O)OC(C)(C)C 2079995892 PEYJQZQLQHJYKF-HLIPFELVSA-N 465.416 5.280 50 10 JKGE C[C@H](COCc1ccccc1)Cn1c(CCCl)nc2cc(Cl)c(Br)cc21 2112701345 IJORVGCRYWTCFI-AWEZNQCLSA-N 456.211 6.086 50 10 JKGE Cc1cc(Br)c([C@@H](Br)[C@@]23CC[C@@](C)(C2)OC3)cc1Br 2121883850 QPVPABUVOJFUSJ-ILXRZTDVSA-N 453.012 5.915 50 10 JKGE Cc1cc(Br)c(C)c([C@H](Br)[C@H](C)CC(F)(F)F)c1Br 2136366570 JKPOSZRXOSKTHB-JMCQJSRRSA-N 466.961 6.853 50 10 JKGE Cc1cc(Br)c(C)c([C@H](Br)CC2CCOCC2)c1Br 2136377486 PKCPIRQXLZPSSM-CYBMUJFWSA-N 455.028 6.081 50 10 JKGE Cc1cc(Br)c([C@@H](Br)c2ccc(C(F)(F)F)o2)cc1Br 2146667205 QNOKBBRZEMADMO-GFCCVEGCSA-N 476.912 6.616 50 10 JKGE O=C(N[C@@H]1CCCC[C@@H]1CCBr)c1ccc(I)c(Cl)c1 2146719965 QIDACBWCFZTEKP-QMTHXVAHSA-N 470.576 5.018 50 10 JKGE C[C@@H]1CC[C@@H](C(C)(C)Cc2cccc(Br)c2Br)[C@H](Br)C1 2148750307 KPHQQODDKIMIBZ-UXIGCNINSA-N 467.083 6.980 50 10 JKGE Cn1nc(CC(CBr)(CBr)C2CCCCC2)c(Br)c1Cl 2152984318 BWFHXDNURMHYJW-UHFFFAOYSA-N 491.493 5.735 50 10 JKGE CC12CC([C@H](Br)c3c(Cl)sc(Br)c3Cl)(C1)C1(CCC1)O2 2157464999 KKRRLQJUVQSGDT-UHEGKEBESA-N 461.046 6.745 50 10 JKGE ClCc1nc2cc(Cl)c(Br)cc2n1-c1cccc(I)c1 2169019784 RMQBZDNRZIBOLF-UHFFFAOYSA-N 481.946 5.785 50 10 JKGE Cc1nc([C@H](Br)c2cc(Br)cc3c2O[C@H](C)C3)c(Br)s1 2169495611 OMHMHGZVONQMNG-KSBSHMNSSA-N 482.035 5.784 50 10 JKGE Cc1cc(Br)c(C)c(Oc2cc(Br)cc(F)c2CBr)c1 2170693766 OEOGBQBWROQMFZ-UHFFFAOYSA-N 466.970 6.655 50 10 JKGE CC(C)n1cc(S(=O)(=O)N(Cc2ccccc2)[C@@H](C)C(C)(C)C)cc1CBr 2179858698 SBNSZTXQGADLBN-KRWDZBQOSA-N 455.462 5.589 50 10 JKGE Fc1cc(Br)c([C@H](Cl)c2ccc(Cl)cc2Br)c(F)c1Cl 2201610247 FUEKERDTKWSYIE-LLVKDONJSA-N 465.346 7.125 50 10 JKGE C[C@@H](Cl)c1nc2cc(S(C)(=O)=O)ccc2n1CCCN(Cc1ccccc1)Cc1ccccc1 2203266626 IHEOCDVVWTXGSC-OAQYLSRUSA-N 496.076 5.832 50 10 JKGE Cc1cc2sc([C@H](Cl)c3ccc(Br)c(C)c3Br)cc2s1 2203687775 QXNJDMIUKYSJPK-OAHLLOKOSA-N 450.648 7.433 50 10 JKGE COc1cc(Br)c(F)cc1Oc1cccc(Br)c1CBr 2207466490 VVLBOXOINSFHRV-UHFFFAOYSA-N 468.942 6.047 50 10 JKGE Cc1c(Br)sc([C@@H](Br)c2ccccc2I)c1C 2213618246 FFCSOAQOXDJHRW-NSHDSACASA-N 486.010 6.216 50 10 JKGE Cc1ccc([C@@H](Br)c2c(C)sc(Br)c2C)cc1Br 2218801456 VBAWEHDCDCJRLV-CYBMUJFWSA-N 453.037 6.683 50 10 JKGE COc1ccc(Br)cc1[C@@H](Br)c1sc(Br)c(C)c1C 2225849032 RBZDFIMDESJKTG-GFCCVEGCSA-N 469.036 6.383 50 10 JKGE FC(F)(F)[C@@H]1CCO[C@H]1[C@@H](Cl)c1c(Br)sc(Br)c1Cl 2231815053 UPFAUVBIYIEHBJ-SYTVJDICSA-N 462.940 6.174 50 10 JKGE Cc1cc([C@@H](Br)c2cc(Br)c(Br)cc2F)cc(C)c1F 2233975142 IPKAPZVSUIXRSP-CQSZACIVSA-N 468.961 6.591 50 10 JKGE Cc1c(Br)csc1[C@@H](Br)c1cc(Br)cc2c1OCCC2 2234512659 JQYHEMVMILBYKN-ZDUSSCGKSA-N 481.047 6.391 50 10 JKGE Cc1cc(Br)c([C@H](Br)[C@H](C)C2CCCCC2)c(C)c1Br 2235603634 BQYRXYRPOOYKAL-PIGZYNQJSA-N 467.083 7.481 50 10 JKGE Cc1sc([C@@H](Br)c2c(Br)cc(F)c(F)c2F)c(Br)c1C 2237629789 NDVVVGOZLAIUPC-JTQLQIEISA-N 492.980 6.792 50 10 JKGE Clc1sc(Br)c(Cl)c1[C@@H](Cl)c1scc(Br)c1Cl 2246464381 BKJBCUCDPVJAFG-RXMQYKEDSA-N 475.869 7.623 50 10 JKGE Cc1sc([C@H](Br)c2scc(Br)c2Cl)c(C)c1Br 2246464404 BQMCFDRNQPXCDU-QMMMGPOBSA-N 479.484 7.089 50 10 JKGE Cc1cc2c(nc(CCl)n2CC2(N(Cc3ccccc3)Cc3ccccc3)COC2)c(C)c1F 2279148873 KGPYYETZBUJGQF-UHFFFAOYSA-N 478.011 6.002 50 10 JKGE Fc1cc(Br)c(Br)cc1[C@H](Br)C[C@@H]1CCCCC12CC2 2279687618 IIXLZOALQPARLP-CMPLNLGQSA-N 469.030 7.147 50 10 JKGE Cc1cc(F)c(Br)cc1[C@H](Br)c1cc(Br)c(Cl)cc1C 2285984524 VIXAOAQEBZBFJC-OAHLLOKOSA-N 485.416 7.105 50 10 JKGE BrCC(CBr)(CCc1ccccc1)Cc1cnsc1Br 2286718031 RILSANFWXGVRGX-UHFFFAOYSA-N 482.079 5.857 50 10 JKGE CC1(C)CCC[C@@H]([C@@H](Br)c2c(F)cc(Br)c(F)c2Br)O1 2288489618 WHJRMWBMNHVTEC-GXSJLCMTSA-N 476.981 6.274 50 10 JKGE COC[C@@]1([C@H](Br)c2c(F)cc(Br)c(F)c2Br)CCCO1 2288498605 IRAQYUGWAJPFFW-CHWSQXEVSA-N 478.953 5.121 50 10 JKGE Cl[C@H](Cc1cc(Br)cc(Br)c1)c1cc(C2CC2)c(Br)s1 2295276715 ITQLBTUMYWXYOR-CYBMUJFWSA-N 499.493 7.436 50 10 JKGE Brc1cc(Br)cc(C[C@@H](Br)c2ccc(CC3CC3)s2)c1 2295277108 NCHSPLZCUNGELP-OAHLLOKOSA-N 479.075 6.904 50 10 JKGE Clc1ccc(C[C@@H](Br)c2cc3sc(Br)cc3s2)cc1Cl 2295401768 MEPKTHVEPCNAFZ-MRVPVSSYSA-N 471.066 7.711 50 10 JKGE COC(=O)c1ccccc1NC(=O)C(C#N)=Cc1ccc(OC)c(OCc2ccccc2Cl)c1 2295459725 RTKBQMQPUZBPEM-UHFFFAOYSA-N 476.916 5.260 50 10 JKGE N#CC(=Cc1ccc(OCc2ccccc2)cc1)c1nc(-c2ccc(Cl)cc2Cl)cs1 2297321101 OTNZWAUSXKBRNR-UHFFFAOYSA-N 463.389 7.760 50 10 JKGE COc1ccc(C=C(C#N)C(=O)Nc2ccc3c(c2)OCCO3)cc1COc1cccc2cccnc12 2297616758 TWDVYBVRWRZVAI-UHFFFAOYSA-N 493.519 5.139 50 10 JKGE Brc1cc(OCc2ccccc2)ccc1[C@@H](Br)C12CCC(CC1)O2 2299491140 CFBKULCKZZVACC-KHPNHKCMSA-N 452.186 6.176 50 10 JKGE Brc1ccc(OCc2ccccc2)c([C@H](Br)[C@@H]2CC[C@@H]3C[C@@H]3C2)c1 2299504841 QNCRNSQIMYSDNW-BZLDKRAPSA-N 450.214 6.900 50 10 JKGE Cl[C@@H](c1c(Br)sc(Br)c1Br)[C@@H]1OC[C@@H]2CCC[C@@H]21 2312252795 HZHIDOUHMQYFFM-AJSHEINVSA-N 479.459 6.131 50 10 JKGE FC(F)(F)[C@@H]1CCc2c(OCc3ccccc3)ccc(Br)c2[C@@H](Br)C1 2314484165 MYEABFWBVBNJSH-CJNGLKHVSA-N 478.146 6.979 50 10 JKGE Cc1c(Cl)sc(Cl)c1[C@H](Br)c1cc(Cl)ccc1I 2314514996 XYTJJBDMKDUBNL-SNVBAGLBSA-N 496.422 7.106 50 10 JKGE CCCOc1ccc(-c2nn(-c3ccccc3)cc2C=C2C(=O)N(C(C)C)C(=O)C(C#N)=C2C)cc1F 2314610892 NZZIOWKDEDBAHK-UHFFFAOYSA-N 498.558 5.468 50 10 JKGE CCOc1ccccc1[C@@H]1C(C#N)=C(N)Oc2cc(OC(=O)C=Cc3ccc(C)cc3)ccc21 2314634130 PXAKVGCJERJDOC-MHZLTWQESA-N 452.510 5.231 50 10 JKGE Fc1c(Br)cc(Cl)c([C@H](Br)[C@H]2C[C@@H]2C2CC2)c1Br 2315440334 RIHKVMIVDAXDKJ-PTZCXBDSSA-N 461.394 6.486 50 10 JKGE C[C@]12C[C@H](C1)[C@H]([C@@H](Br)c1cc(Br)ccc1OCc1ccccc1)CO2 2315929251 FLHLOWYVDQWICE-NXXWWENFSA-N 466.213 6.279 50 10 JKGE Cc1cc(Br)c(F)c(Br)c1[C@@H](Br)C(C)(C)C(F)F 2317420243 MPUAEHLPBMJBCH-SNVBAGLBSA-N 452.934 6.386 50 10 JKGE Cc1ccc2nc(-c3ccc(NC=C(C#N)C(=O)Nc4ccc(C)c(Cl)c4)cc3)sc2c1 2324281657 QHJRZXWRLNUOJD-UHFFFAOYSA-N 458.974 6.692 50 10 JKGE Brc1cc(C[C@@H]2[C@H]3CC[C@@H](C3)C[C@H]2Br)ccc1I 2325189506 LXWXIQRGYUXPLV-FTYKPCCVSA-N 484.013 5.796 50 10 JKGE C[C@]1(C(F)F)C[C@]1(CBr)Cc1ccc(I)c(Br)c1 2325222442 KZQJQUQYLXBERA-OLZOCXBDSA-N 493.955 5.653 50 10 JKGE N#CC(=C(O)c1ccccc1C(=O)c1ccccc1)c1nc(-c2cccc3ccccc23)cs1 2331339178 NJOZUINGSDMABG-UHFFFAOYSA-N 458.542 7.144 50 10 JKGE CC(C)CN1C(=O)c2ccc(C(O)=C(C#N)c3nc(-c4c[nH]c5ccccc45)cs3)cc2C1=O 2331346965 SLPHWUBREJJWIC-UHFFFAOYSA-N 468.538 5.493 50 10 JKGE C[C@@H](Oc1ccc(Cl)cc1)C(O)=C(C#N)c1nc(-c2cc(Cl)ccc2Cl)cs1 2331404499 MTUOEQBHKSGGHF-LLVKDONJSA-N 451.762 7.030 50 10 JKGE CC[C@@H](C)N1C(=O)c2ccc(C(O)=C(C#N)c3nc(-c4cc(Cl)ccc4OC)cs3)cc2C1=O 2331410825 IQUBYVPENNZPMC-CYBMUJFWSA-N 493.972 5.816 50 10 JKGE CCCC1CCC([C@H](Br)c2cc(Br)ccc2OCc2ccccc2)CC1 2336041987 SGIYODFOWXOYCJ-WFHLNLCJSA-N 480.284 8.071 50 10 JKGE Fc1c(Br)cc(Cl)c([C@H](Br)C2[C@H]3CCCC[C@H]23)c1Br 2337091944 JFWSDDFXXSYHIR-DJOAAKCGSA-N 475.421 6.876 50 10 JKGE Fc1c(Br)cc(Cl)c([C@H](Br)[C@@H]2C[C@H]3CC[C@@H]2C3)c1Br 2337098943 UCTGCTHOXATDKF-HIHLCYOISA-N 475.421 6.876 50 10 JKGE Cc1cc(Cl)c([C@@H](Br)c2ccc(Cl)cc2I)cc1C 2340061065 JWFJORPNEKZINL-HNNXBMFYSA-N 469.975 6.699 50 10 JKGE BrC[C@H]1CC12CCN(Cc1ccc(I)c(Br)c1)CC2 2349837565 WGRQLBHVMKPNOA-GFCCVEGCSA-N 499.028 5.051 50 10 JKGE Clc1ccc(I)cc1CN1CC[C@@H]2C[C@H](Br)CC[C@@H]21 2352410056 DUZIJHYNQPISMY-HCKVZZMMSA-N 454.577 5.083 50 10 JKGE Brc1ccc(Br)c([C@@H](Br)[C@@H]2C[C@@H]3CCCCCC[C@@H]32)c1 2354875467 UFMIVIZERMUWME-DPYKFYPSSA-N 465.067 7.254 50 10 JKGE Fc1cc(Cl)c(Br)c(Cl)c1[C@H](Br)c1cc2cscc2s1 2360496296 DYMUOFDFJMZSRN-GFCCVEGCSA-N 475.029 7.656 50 10 JKGE COc1c(F)c(F)cc([C@H](Cl)c2cc(Br)c(Br)s2)c1F 2361161193 QGRSVLAPHVVMNS-QMMMGPOBSA-N 450.501 6.027 50 10 JKGE COc1c(Br)cc(C)c([C@@H](Cl)c2cc(Br)n(C)n2)c1Br 2365174956 BNAOTPVPQBZMNG-LBPRGKRZSA-N 487.417 5.353 50 10 JKGE Cc1cc(Br)c(F)c(Br)c1[C@H](Br)CC[C@H]1CCCCO1 2365178027 GRYXWDIQKRZQLP-GHMZBOCLSA-N 473.018 6.444 50 10 JKGE Cc1cc(Br)c(F)c(Br)c1[C@@H](Cl)c1c(C)nn(C)c1Br 2365232480 QKLDUIGAXQHHLX-LLVKDONJSA-N 489.408 5.792 50 10 JKGE Fc1ccccc1[C@@H](CBr)OCc1ccc(Cl)cc1I 2365652116 DLSLXFKYSBDLEC-OAHLLOKOSA-N 469.519 5.737 50 10 JKGE COc1cc(/C=C(/C#N)c2cccc(Cl)c2)ccc1OC(=O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1 31902416 VIVCOGIXQGREIP-IDUWFGFVSA-N 479.832 5.448 50 10 JKGE CCOc1cc(/C=C(/C#N)c2ccc([N+](=O)[O-])cc2)ccc1OCC(=O)Nc1ccc(OC)cc1 33399499 HUIFIRQANFUXNN-ZHZULCJRSA-N 473.485 5.084 50 10 JKGE FC(F)(F)c1ccc2c(c1)/C(=C\CCN1CCN(CCBr)CC1)c1ccccc1S2 33676432 MJXDOOJJFLVYCF-DVZOWYKESA-N 497.424 6.004 50 10 JKGE in-vitro CC(C)(CCl)C(=O)Nc1ccc([C@H]2SCC(=O)N2c2ccc(C(F)(F)F)cc2)cc1 35926993 ROUVOMTXCJDHDZ-GOSISDBHSA-N 456.917 5.688 50 10 JKGE CCCOc1ccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4ccc(Cl)cc4)ccc32)cc1 38650602 AZARSFOIBKNEDK-DEOSSOPVSA-N 460.917 5.566 50 10 JKGE CCCCCOc1ccc(C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@H]3c2ccc(C)o2)cc1 38659244 CCQSDJWPEVGXHC-VWLOTQADSA-N 458.514 5.594 50 10 JKGE CCCOc1ccccc1[C@@H]1C(C#N)=C(N)Oc2cc(OC(=O)COc3c(C)cccc3C)ccc21 38681559 CBJFPHRRDYOIFN-MHZLTWQESA-N 484.552 5.295 50 10 JKGE CCCOc1ccccc1[C@@H]1C(C#N)=C(N)Oc2cc(OC(=O)[C@@H](C)Oc3ccc(F)cc3)ccc21 38681628 AFRCEXXGJCOJLJ-QUGAMOGWSA-N 488.515 5.206 50 10 JKGE CCCCCOc1ccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4ccc([N+](=O)[O-])cc4)ccc32)cc1 38685359 KXBANPVCTFMBGR-SANMLTNESA-N 499.523 5.601 50 10 JKGE COc1ccccc1[C@@H]1C(C#N)=C(N)Oc2cc(OC(=O)c3oc4ccc(Cl)cc4c3C)ccc21 38687256 NBALQNQGAUDQJR-DEOSSOPVSA-N 486.911 5.841 50 10 JKGE CCOc1ccccc1[C@H]1C(C#N)=C(N)Oc2cc(OC(=O)c3ccc(OC)c(Cl)c3)ccc21 38687475 LVVJPGVECORNEJ-XMMPIXPASA-N 476.916 5.185 50 10 JKGE Cc1c(C(=O)Nc2nc3ccccc3s2)oc2c1/C(=N/NC(=O)c1ccc3ccccc3n1)CCC2 40825852 DLQLLWJOIFCCRY-ZCTHSVRISA-N 495.564 5.469 50 10 JKGE CCOc1ccc([C@H](O)CCC(=O)N/N=C\c2ccc(OCc3ccc(Cl)cc3)cc2)cc1 58893696 MJYFQJHPDLTUOK-YNAQZEJMSA-N 466.965 5.282 50 10 JKGE O=C(CN(Cc1ccccc1)Cc1ccccc1)N/N=C/c1ccc(-c2ccc([N+](=O)[O-])cc2)o1 59167494 JBOSYWBJXTXHOL-OGLMXYFKSA-N 468.513 5.007 50 10 JKGE O=C(N/N=C/c1cc(Br)ccc1OCc1cccc2ccccc12)c1cc2ccccc2o1 59303591 SBZSFBIZPJYMGH-MUFRIFMGSA-N 499.364 6.691 50 10 JKGE O=C(N/N=c1/oc2ccc3ccccc3c2cc1-c1nc2ccccc2s1)c1ccccc1O 96602658 YDAWWMGXUOCNLU-URGPHPNLSA-N 463.518 5.814 50 10 JKGE N#C/C(=C/Nc1ccccc1OC(F)(F)[C@H](F)Cl)c1nc(-c2ccc([N+](=O)[O-])cc2)cs1 102420779 NZAUATXKYUDEPT-XGCMIMOYSA-N 480.855 6.201 50 10 JKGE Brc1cc([C@@H](Br)C2(c3ccccc3)CC2)sc1Br 128221128 YPVBFLLQOLVGLX-GFCCVEGCSA-N 451.021 6.441 50 10 JKGE Cc1ccc(Br)c([C@H](Cl)c2cc(Br)c(C)cc2Br)c1 128625377 ZBXOQTBXRDZFFL-HNNXBMFYSA-N 467.426 6.919 50 10 JKGE C[C@@H]1C[C@H](O[C@@H](CI)c2cccc(Br)c2)CC(C)(C)C1 162139691 MRTMDBUBKFUAFB-KCXAZCMYSA-N 451.186 6.157 50 10 JKGE Brc1ccc([C@H](Br)c2csc3c(Br)cccc23)cc1 163380086 RNIVAFMYCLGWNG-AWEZNQCLSA-N 461.016 6.911 50 10 JKGE C=CCCCCCCCCCCCCCCCCCCCC[Si](OCC)(OCC)OCC 203745820 VYDFUBIBALILQC-UHFFFAOYSA-N 470.855 9.633 50 10 JKGE COc1ccc(/C=C\C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@@H]3c2cccc3ccccc23)cc1 205647756 INBNGKMOPIJXSG-WKAXSWFMSA-N 474.516 5.685 50 10 JKGE CCCCOC(=O)c1ccccc1N/C=C(/C#N)C(=O)N[C@@H](CC)c1ccc2c(c1)CCCC2 217189814 JRZQQGSDBVMMDP-VQZNFWSPSA-N 459.590 5.609 50 10 JKGE FC(F)(F)COCC[C@@H](Br)c1cc(Br)ccc1Br 232342747 QKASUZNTTCLQJH-SNVBAGLBSA-N 454.906 5.617 50 10 JKGE O=C(N[C@H](CBr)c1ccccc1)c1cc(Br)cc(Br)c1 232472600 WOMNMGPYUGVFGH-CQSZACIVSA-N 461.979 5.078 50 10 JKGE COc1cc(F)c(Br)cc1[C@@H](Br)c1cc(C)c(Br)s1 234862474 XNFMSVWBFGIKMR-GFCCVEGCSA-N 472.999 6.214 50 10 JKGE COc1cc(F)c(Br)cc1[C@@H](Br)c1cccc(F)c1Br 234867318 WFZATSFEZJQXLS-ZDUSSCGKSA-N 470.933 5.983 50 10 JKGE C[C@@H]1CCC[C@](CBr)(NC(=O)c2cc(Br)cc(Br)c2)C1 235337162 VWDDGEYANRUMFP-BMIGLBTASA-N 468.027 5.285 50 10 JKGE Clc1ccc([C@@H](Cl)c2cc(Br)sc2Br)c2ccccc12 236031085 OMCRHDKSSZMBLI-CQSZACIVSA-N 451.010 7.408 50 10 JKGE O=C(CSc1nc2ccccc2s1)NN=Cc1c(OCc2ccccc2)ccc2ccccc12 252462955 XRWMIMBJWCJEMO-UHFFFAOYSA-N 483.618 6.271 50 10 JKGE CCN(CC)c1ccc(/C=C(/NC(=O)c2ccccc2)C(=O)NN=C(C)c2ccc(C)cc2)cc1 252594591 BTWPDXJYEABCLZ-JHMAFBPSSA-N 468.601 5.153 50 10 JKGE Cc1ccc(OCC(=O)NN=Cc2cn(Cc3ccccc3)c3ccccc23)c(Br)c1 252617482 KTWGZTQHKUUALH-UHFFFAOYSA-N 476.374 5.290 50 10 JKGE CCn1c(SCC(=O)NN=Cc2ccccc2C(F)(F)F)nnc1-c1ccc(C(C)(C)C)cc1 254821271 WWDSGFYFFGAHTQ-UHFFFAOYSA-N 489.567 5.524 50 10 JKGE O=C(Nc1ccccc1C(=O)NN=Cc1ccccc1OCc1ccccc1)c1ccc(F)cc1 254835154 XSAZHTFWBHETTD-UHFFFAOYSA-N 467.500 5.421 50 10 JKGE C[C@@H]1CC[C@H](OC2(CI)CCN(C(=O)OC(C)(C)C)CC2)C[C@H]1C 303741154 HKTRCNMMYLNXBX-OAGGEKHMSA-N 451.389 5.032 50 10 JKGE Cc1cc([C@H](Cl)c2cc(I)cc3c2OCC3)sc1Br 311543097 JDZGBAVQXBABKD-GFCCVEGCSA-N 469.569 5.687 50 10 JKGE Fc1cc([C@H](Cl)c2scc(C(F)(F)F)c2Br)ccc1Br 312258676 KQUGRNSMZPZHKE-JTQLQIEISA-N 452.492 6.759 50 10 JKGE Fc1cc(Br)c(Cl)cc1[C@@H](Br)c1ccc(OCc2ccccc2)cc1 381403729 XAJPYWRGJFGEOI-FQEVSTJZSA-N 484.590 7.305 50 10 JKGE O=C(OCc1ccccc1)N1C[C@H](c2cccc(Cl)c2Cl)[C@@H](CI)C1 382691154 IJAQDPCSHGPEEO-HOCLYGCPSA-N 490.168 5.781 50 10 JKGE Cc1ccc([C@@H]2CN(C(=O)OC(C)(C)C)C[C@@H]2CI)c(Br)c1 382698888 ZVOLOYUCVMFDOT-GXTWGEPZSA-N 480.184 5.143 50 10 JKGE COc1cc([C@@H](Br)c2ccccc2OCc2ccccc2)c(OC)cc1Br 383728303 HXTCZPTXERYNGK-QFIPXVFZSA-N 492.207 6.530 50 10 JKGE Fc1cc(Br)c([C@@H](Br)Cc2ccc(Br)cc2)c(F)c1F 398743458 SABODHMYKQUKKR-VIFPVBQESA-N 472.924 6.308 50 10 JKGE Cc1ccc([C@H](Cl)c2cc(Cl)ccc2I)c(C)c1Br 719578485 UMZZXUOVBMSUJH-HNNXBMFYSA-N 469.975 6.652 50 10 JKGE Cc1cc(C=NNC(=O)c2ccc(CSc3ccc(Cl)cc3)cc2)c(C)n1-c1ccc(F)cc1 725388532 IEOIKMTXFBBVEK-UHFFFAOYSA-N 492.019 6.943 50 10 JKGE O=C(CSCc1ccc(Br)cc1)NN=Cc1ccc(-c2ccc(Cl)cc2)o1 1083849880 IEHZWUAQSMEFTM-UHFFFAOYSA-N 463.784 5.746 50 10 JKGE O=C(NN=C(CSc1nc2ccccc2[nH]1)c1ccc2ccccc2c1)c1ccccc1Cl 1084437682 HBBNZRJFVPENEP-UHFFFAOYSA-N 470.985 6.296 50 10 JKGE COc1cc(/C=C(\C#N)C(=O)Nc2cccc(C)c2)ccc1OCc1c(Cl)cccc1Cl 1084467457 SAEFCNBPBHRIAF-LDADJPATSA-N 467.352 6.435 50 10 JKGE COc1cc(/C=C(/C#N)C(=O)Nc2ccc(C)c(C)c2)ccc1OCc1ccc(Cl)cc1Cl 1084594386 NERZFEYNBGKHPD-JAIQZWGSSA-N 481.379 6.744 50 10 JKGE Cc1ccc(-n2c(C)c(Br)c(C=NNC(=O)COc3ccccc3)c2C)c(C)c1 1084644885 HDXWFTKKGYGLTR-UHFFFAOYSA-N 454.368 5.003 50 10 JKGE CC(C)(C)N(N=Cc1c(Cl)cc(Cl)cc1Cl)C(=O)c1cc(Cl)cc(Cl)c1 1088674994 OQSNBYYZBZEFQN-UHFFFAOYSA-N 452.596 7.228 50 10 JKGE Cc1ccc(Cn2nc(-c3ccccc3)c3c2OC(N)=C(C#N)[C@@H]3c2ccccc2Cl)cc1 1865686493 WXRPVFSYZOHSSK-QHCPKHFHSA-N 452.945 5.778 50 10 JKGE N#CC1=C(N)Oc2c(c(-c3ccccc3)nn2-c2ccccc2)[C@@H]1c1cc(Br)ccc1F 1865702147 NYMPTGWXKBIVIY-OAQYLSRUSA-N 487.332 5.659 50 10 JKGE CCCc1nn(Cc2ccc(Cl)c(Cl)c2)c2c1[C@@H](c1ccccc1C(=O)O)C(C#N)=C(N)O2 1865704378 UOIJFUJQBONOPI-FQEVSTJZSA-N 483.355 5.107 50 10 JKGE CCc1nn(Cc2ccc(C)cc2)c2c1[C@H](c1cccc(OCc3ccccc3)c1)C(C#N)=C(N)O2 1865711648 DMDXWYPQXVBBIO-HHHXNRCGSA-N 476.580 5.599 50 10 JKGE N#CC1=C(N)Oc2c(c(C(F)(F)F)nn2-c2cccc(Cl)c2)[C@H]1c1ccc(Br)cc1 1865714078 CBVLSMFAWQGBHB-HNNXBMFYSA-N 495.686 5.525 50 10 JKGE Cc1nc(-c2ccc(Cl)c(Cl)c2)ccc1C(=O)NNC(=O)/C=C/c1ccc(Cl)cc1 1865759345 VPVSCSUMTZXFCM-NYYWCZLTSA-N 460.748 5.492 50 10 JKGE CC[C@H](NC(=O)C[C@@H](c1ccccc1)c1cccc(F)c1)C(=O)Nc1ccc(SC#N)cc1 1866784338 VGRRPSDQPPVRLD-ZEQRLZLVSA-N 461.562 5.454 50 10 JKGE CCOc1cc(/C=C(\C#N)c2nc(O)c3ccc(C(=O)OC)cc3n2)ccc1OCc1ccccc1F 1872728851 XTYPTAGJZOJNHT-UDWIEESQSA-N 499.498 5.303 50 10 JKGE CCc1ccc(-c2csc(/C(C#N)=C(O)/C=C/c3ccc(OCc4ccccc4)cc3)n2)cc1 1872744369 OTEMBJDYBUAHMM-QVBHUFCRSA-N 464.590 7.458 50 10 JKGE CCCCc1ccc(-c2csc(/C(C#N)=C(\O)c3ccc(N4CCOCC4)c([N+](=O)[O-])c3)n2)cc1 1872744785 IBKPJABPEBTAIH-DAFNUICNSA-N 490.585 5.847 50 10 JKGE CCOc1ccc(-c2csc(/C(C#N)=C(\O)Cc3ccc(OC)cc3OC)n2)c(OCC)c1 1872755354 JJFQSTDVPAMGSQ-XDOYNYLZSA-N 466.559 5.660 50 10 JKGE COc1ccc(-c2csc(/C(C#N)=C(\O)c3cc(OC)c(OC)cc3[N+](=O)[O-])n2)cc1Cl 1872757824 XPXKSQYKXWTCFF-MOSHPQCFSA-N 473.894 5.347 50 10 JKGE COc1cc(/C=C(\C#N)c2nc(-c3ccc4c(c3)OCO4)cs2)cc(Br)c1OC(C)C 1872792234 MJZXZPLAJQQBQX-OMCISZLKSA-N 499.386 6.161 50 10 JKGE COc1ccc(-c2csc(/C(C#N)=C/c3cc(Br)cc(OC)c3O)n2)cc1F 1872792301 QPLJRWOLNDIKAU-WLRTZDKTSA-N 461.312 5.499 50 10 JKGE CCCCCOc1ccc(/C=C(\C#N)c2nc(-c3cc(Cl)cc(C)c3OC)cs2)cc1OCC 1872794178 NMZHMHYDOHBFKQ-DEDYPNTBSA-N 497.060 7.812 50 10 JKGE FC1(F)[C@@H]([C@H](Br)c2c(Br)sc(Br)c2Cl)C12CC2 1923071390 ISDYTFKBVOGRKI-XINAWCOVSA-N 471.386 6.408 50 10 JKGE Cn1nc([C@@H](Cl)c2c(Br)sc(Br)c2Br)cc1Cl 1924569428 VJXZTCIRDLWTOA-SSDOTTSWSA-N 483.838 5.751 50 10 JKGE CC(F)(F)C(C)(C)[C@@H](Cl)c1c(Br)sc(Br)c1Br 1924604885 JOWSFLPDNVEIME-LURJTMIESA-N 475.418 6.997 50 10 JKGE O=C(NC[C@H]1CCC2(CCC2)[C@@H]1Br)c1cc(Br)sc1Br 1924806018 TWPYLBHODYSYIH-LDYMZIIASA-N 486.067 5.347 50 10 JKGE C[C@H](Cl)c1nc2cc(I)c(F)cc2n1-c1csnc1Br 1926868024 ITWZJDFWPQSPPJ-YFKPBYRVSA-N 486.535 5.288 50 10 JKGE Cl[C@H](c1ccc(I)cc1)c1ccc(Br)cc1Br 2024283087 OUEGGOGNEOQJJM-CYBMUJFWSA-N 486.372 6.144 50 10 JKGE COC1CC2(C1)CC([C@@H](Br)c1sc(Br)cc1Br)C2 2038910575 XDFWRLGTWGTMNC-FGCOCLGUSA-N 459.041 5.914 50 10 JKGE COc1cccc(C=C(C#N)S(=O)(=O)c2ccc(Cl)cc2)c1Oc1ccc(C(F)(F)F)cn1 2041576605 KRZLXRJDEKZMBY-UHFFFAOYSA-N 494.878 5.893 50 10 JKGE Clc1cc(C[C@@H](Br)c2ccc(Br)cc2)ccc1Br 2050569874 CIULCRVVEPJBCT-CYBMUJFWSA-N 453.399 6.544 50 10 JKGE Cc1c(Br)sc([C@H](Br)C2CC3(C2)CC3(C)C)c1Br 2063993651 JDJAUQSTORNVIM-MHMQJKDYSA-N 457.069 6.844 50 10 JKGE COc1cc(C)c([C@H](Br)c2ccsc2Br)cc1Br 2078009026 DEIQXIUTJGRPNW-GFCCVEGCSA-N 455.009 6.074 50 10 JKGE COCCCN(C(=O)OCC1c2ccccc2-c2ccccc21)c1nc(CCl)c(C(=O)O)s1 2081070232 BPXZBGVIZREJSV-UHFFFAOYSA-N 486.977 5.372 50 10 JKGE Cc1cc(F)c(Cl)cc1[C@@H](Br)c1scc(Br)c1Br 2081925789 AXNJDYLAEQESEB-SNVBAGLBSA-N 477.418 6.858 50 10 JKGE Fc1cccc(F)c1C[C@H](Br)c1cccc(Br)c1Br 2092334455 HSYRHRHJVQDXHO-NSHDSACASA-N 454.934 6.169 50 10 JKGE O=C(NCc1scc(Br)c1Br)c1ccc(CBr)cc1 2094186304 XJGYCDOUIVKZNR-UHFFFAOYSA-N 468.008 5.098 50 10 JKGE CC(C)(C)OC(=O)N1CC[C@H]([S@@](C)(=O)=NCCCCCCCCCBr)C1 2106785330 OSNHAWXORSTCBA-MRDQGFSESA-N 453.487 5.219 50 10 JKGE C[C@H](CN(C)Cc1ccccc1)n1c(CCCl)nc2cc(Cl)c(Br)cc21 2112700291 VBSVYRRURFUWPW-CQSZACIVSA-N 455.227 5.927 50 10 JKGE Cc1cc(Br)c([C@@H](Br)[C@@H]2C[C@@H]3CC[C@H](C2)O3)cc1Br 2124951861 IJCJPZKNSUQSFI-DDIVZENXSA-N 453.012 5.914 50 10 JKGE Cc1c(Br)ccc([C@H](Br)[C@@H]2CC[C@@H]3[C@@H]2C3(F)F)c1Br 2138869620 BMAWVRWMJQWGQR-GCUAXGRVSA-N 458.966 6.247 50 10 JKGE Brc1ccc([C@H](Br)[C@H]2CC3(CCCC3)CO2)c(Br)c1 2138874727 YPMPLDATDLDSRP-KGLIPLIRSA-N 453.012 5.997 50 10 JKGE COc1ccc([C@H](Cl)c2ccc(Br)cc2I)cc1Cl 2142285963 ACPCHESYPNKAPJ-AWEZNQCLSA-N 471.947 6.044 50 10 JKGE Cc1nn(-c2ccc(C(F)(F)F)c(CBr)c2)c(C)c1I 2181262895 YKLMTUIMRQPFCY-UHFFFAOYSA-N 459.047 5.007 50 10 JKGE CCn1ncc(Br)c1[C@H](Br)c1c(Br)cc(F)c(Cl)c1F 2201616215 VUZJILFZJXTBAX-SECBINFHSA-N 493.371 5.844 50 10 JKGE Fc1cc(Br)c([C@@H](Br)c2cccc(Cl)c2Cl)c(F)c1Cl 2201619561 RQCDWOYXUKIBBH-JTQLQIEISA-N 465.346 7.172 50 10 JKGE Brc1sc(C[C@@H](Br)c2ccco2)c(Br)c1Br 2212188757 DSULTAKKVZYGDF-RXMQYKEDSA-N 493.840 6.307 50 10 JKGE C[C@H]1[C@@H](c2sc(Br)c(Br)c2Br)CCC[C@H]1Br 2212201397 WUEHKGWMIFZYJS-LYFYHCNISA-N 495.900 6.703 50 10 JKGE CC1(C)C[C@H](c2sc(Br)c(Br)c2Br)C[C@@H](Cl)C1 2216420738 ODFJHHIEEKBQPF-RNFRBKRXSA-N 465.476 6.937 50 10 JKGE Cc1cc(Br)c([C@@H](Cl)c2cscc2OCc2ccccc2)c(C)c1Cl 2217613134 LOIJRFCHRHVBKY-FQEVSTJZSA-N 456.232 7.688 50 10 JKGE Cc1ccc(I)c([C@@H](Br)c2ccc(Cl)cc2Cl)c1 2224051134 YKLHADISEICZNT-AWEZNQCLSA-N 455.948 6.391 50 10 JKGE CCCC(CCC)[C@@H](Br)c1c(Br)cc(Cl)c(Cl)c1Cl 2224303385 WIZSMNQQKLAYES-GFCCVEGCSA-N 451.457 8.062 50 10 JKGE Cc1ccc([C@@H](Br)[C@@H](C)c2ccncc2Br)cc1I 2224618661 MPGIXVJJRARWDW-BONVTDFDSA-N 494.996 5.997 50 10 JKGE FC[C@]12C[C@]([C@@H](Br)c3cc(Br)c(Br)cc3F)(CO1)C2 2225617034 LMBOPOFFTGBTRY-AVGNSLFASA-N 460.938 5.305 50 10 JKGE Clc1cc(Br)c([C@H](Br)[C@H]2C[C@@H]2C2CCCC2)c(Cl)c1Cl 2232518073 ZESAEAHRJHDTAI-VYUIOLGVSA-N 461.452 7.672 50 10 JKGE Cc1cc(Br)c([C@H](Br)[C@@H]2C[C@@H]3CCCC[C@@H]32)c(C)c1Br 2235615248 PICASMDBXJGRIY-APNQJHFZSA-N 465.067 7.091 50 10 JKGE CCn1ncc(Br)c1[C@H](Br)c1cc(C)c(OC)cc1Br 2236016089 YBQFQZVVPBFHIL-CYBMUJFWSA-N 466.999 5.229 50 10 JKGE Cn1nc([C@H](Br)c2c(F)cc(F)c(Br)c2F)c(Br)c1Cl 2236114052 HVPKKBMUJZRVQC-SSDOTTSWSA-N 497.334 5.500 50 10 JKGE COc1ccc([C@@H](Cl)c2csc(I)c2)c(Br)c1Cl 2256324055 WSZHHJUESPCVCG-NSHDSACASA-N 477.976 6.105 50 10 JKGE O=[N+]([O-])c1ccc(C[C@H](Br)c2ccc(Cl)c(I)c2)cc1 2283632726 JLAAZHODQZZKFN-LBPRGKRZSA-N 466.500 5.532 50 10 JKGE Fc1cc(Br)c(F)c(Br)c1[C@H](Br)C[C@@H]1CCC12CCC2 2288484298 RBMUJWKXFZCJBX-DTWKUNHWSA-N 472.993 6.896 50 10 JKGE N#CC(C(=O)Nc1ccc(F)cc1)=C1S[C@@H](Cc2ccc(Cl)cc2)C(=O)N1c1ccccc1 2296506808 FXUZWMRYKPTCJO-QFIPXVFZSA-N 477.948 5.544 50 10 JKGE Cc1ccc(NC(=O)C(C#N)=C2S[C@@H](Cc3ccc(F)cc3)C(=O)N2c2ccc(F)cc2)cc1 2296834861 UDQFAGAQGXCZDF-QHCPKHFHSA-N 475.520 5.338 50 10 JKGE CCOc1cc(C=C(C#N)C(=O)Nc2cccc(Cl)c2Cl)ccc1OC(=O)c1ccccc1 2313631064 JSKLCMOYMXXXPI-UHFFFAOYSA-N 481.335 6.157 50 10 JKGE CCc1ccc(NC(=O)C(C#N)=Cc2ccc(OCc3ccc(Cl)cc3Cl)cc2)cc1 2313675783 RLKGOXCMOPZODV-UHFFFAOYSA-N 451.353 6.680 50 10 JKGE COc1ccccc1NC(=O)C(C#N)=Cc1ccc(-n2nc(-c3ccccc3)cc2-c2ccccc2)cc1 2314482279 FNIMTMSDZDZNIY-UHFFFAOYSA-N 496.570 6.761 50 10 JKGE CCCCc1ccc(NC(=O)C(C#N)=Cc2ccc(-c3cc(C(F)(F)F)ccc3Cl)o2)cc1 2314571897 OEGQZJDLLMUONS-UHFFFAOYSA-N 472.894 7.507 50 10 JKGE N#CC(=Cc1ccc(-c2ccc(Cl)cc2Cl)o1)c1nc(-c2cc3ccccc3oc2=O)cs1 2314572375 ZNAMGTZLWPDELT-UHFFFAOYSA-N 491.355 7.547 50 10 JKGE Cc1cccc(NC(=O)C(C#N)=C2S[C@H](Cc3ccc(F)cc3)C(=O)N2c2ccc(C(C)C)cc2)c1 2314591683 BFTCJPQSYUPMEQ-AREMUKBSSA-N 499.611 6.323 50 10 JKGE CCOc1ccc(C=CC(=O)Oc2ccc(C=C(C#N)c3ccc(Cl)cc3)cc2OC)cc1 2314735280 QHBVUXNRDKLIKK-UHFFFAOYSA-N 459.929 6.430 50 10 JKGE CC(C)C[C@@H](C)[C@H](Br)c1c(Cl)cc(Br)c(F)c1Br 2315444119 RWMGGSKTDTVABH-HQJQHLMTSA-N 465.426 7.122 50 10 JKGE C[C@@H]1CCC[C@](CI)(OCc2cccc(I)c2)C1 2319032514 XXJJWPCXBQEEOZ-DOMZBBRYSA-N 470.132 5.192 50 10 JKGE O=C(Cc1ccccc1)NN=Cc1ccc(-n2nc(-c3ccccc3)cc2-c2ccccc2)cc1 2323330250 KUTZFKAQKQSTQB-UHFFFAOYSA-N 456.549 5.899 50 10 JKGE Cc1ccc(NC(=O)C(C#N)=CN2CCN(C(c3ccccc3)c3ccccc3)CC2)cc1Cl 2324280889 RPJMMHYWSAVBML-UHFFFAOYSA-N 471.004 5.402 50 10 JKGE BrCCN(Cc1ccc(I)c(Br)c1)C1CCCC1 2325211531 JMLKZCYLFJBDHP-UHFFFAOYSA-N 487.017 5.193 50 10 JKGE CCCCOC(=O)c1ccccc1NC(=O)C(C#N)=CN(Cc1ccccc1)Cc1ccccc1 2325307154 GKDPZVHIMLOJDF-UHFFFAOYSA-N 467.569 5.692 50 10 JKGE Cc1cc(OCc2cccc(CCl)c2)cc2c1C(=O)C(=Cc1ccccc1Br)O2 2325361074 AHXXYSBXPXCNQN-UHFFFAOYSA-N 469.762 6.692 50 10 JKGE N#CC(=CNCCc1ccc(Br)cc1)C(=O)Nc1ccc(Cl)c(C(F)(F)F)c1 2325385128 ZRDLXTCRZNMGSZ-UHFFFAOYSA-N 472.692 5.300 50 10 JKGE O=C(C=Cc1ccc(Cl)cc1Cl)NNC(=O)c1ccc(-c2ccc3ccccc3c2)s1 2328785176 VUPIYHOZFVVHEY-UHFFFAOYSA-N 467.377 6.350 50 10 JKGE N#CC(=C(O)c1ccc(-c2ccccc2)cc1)c1nc(-c2ccc(-c3ccccc3)cc2)cs1 2331231759 YHJFCOWVFJJNCU-UHFFFAOYSA-N 456.570 8.094 50 10 JKGE COc1ccc(Cl)cc1N1C[C@@H](C(O)=C(C#N)c2nc(-c3ccc([N+](=O)[O-])cc3)cs2)CC1=O 2331281117 KAAAORGROCXYPZ-AWEZNQCLSA-N 496.932 5.226 50 10 JKGE CCc1cccc(CC)c1N1C[C@H](C(O)=C(C#N)c2nc(-c3ccc(C)cc3)cs2)CC1=O 2331312706 PMUXXBAJVFKUFM-OAQYLSRUSA-N 457.599 6.089 50 10 JKGE CC(C)CN1C(=O)c2ccc(C(O)=C(C#N)c3nc(-c4ccc(C(C)(C)C)cc4)cs3)cc2C1=O 2331331504 HAVZCQFZSMQHCF-UHFFFAOYSA-N 485.609 6.309 50 10 JKGE COc1ccc(C(C)(C)C)cc1-c1csc(C(C#N)=C(O)[C@@H]2CC(=O)N(C(C)(C)C)C2)n1 2331350625 GXQUKYQNSBDRIH-OAHLLOKOSA-N 453.608 5.556 50 10 JKGE CCOc1cc(C=C(C#N)c2nc(-c3ccc(Cl)cc3)cs2)ccc1OCc1ccccc1 2331439968 KCIMEDOITNCACG-UHFFFAOYSA-N 472.997 7.505 50 10 JKGE COc1ccc2ccccc2c1C=C(C#N)c1nc(-c2ccc(Oc3ccccc3)cc2)cs1 2331464405 KYVKKSKNISFRAE-UHFFFAOYSA-N 460.558 7.828 50 10 JKGE COc1cc(C=C(C#N)c2nc(-c3cc(C)cc(C)c3OC)cs2)ccc1OCCc1ccccc1 2331468743 VAFOCPHKLKEULT-UHFFFAOYSA-N 496.632 7.130 50 10 JKGE CS(=O)(=O)c1cscc1[C@@H](Cl)c1ccc(OCc2ccccc2)cc1Br 2336047682 NRULZKJGOOKQDY-IBGZPJMESA-N 471.825 5.821 50 10 JKGE Fc1c(Br)cc(Cl)c([C@H](Br)[C@@H]2C[C@H]2C2CCC2)c1Br 2337085783 DCCSGCOZNIPWKC-JOAULVNJSA-N 475.421 6.876 50 10 JKGE Cn1nc([C@@H](Cl)c2c(Cl)cc(Br)c(F)c2Br)cc1Br 2337095462 ATBMYSLKGAXBNN-SNVBAGLBSA-N 495.799 5.828 50 10 JKGE CCc1cscc1[C@@H](Br)c1c(Cl)cc(Br)c(F)c1Br 2337111031 HVQUBWRCNKBRSE-LLVKDONJSA-N 491.445 7.112 50 10 JKGE Cc1cc(Br)c(F)c(Br)c1[C@@H](Br)[C@H]1CCCC12CC2 2339650868 JYGPVBTXTCEOEL-SKDRFNHKSA-N 455.003 6.675 50 10 JKGE Cc1cc(Br)c(F)c(Br)c1[C@@H](Cl)c1cc(Br)sc1C 2339656447 NVWMZQWICFFBFO-LBPRGKRZSA-N 491.445 7.120 50 10 JKGE CN(CC[C@H](Br)c1cccs1)Cc1ccc(I)cc1 2340416973 CSHSBIFYYATJOV-AWEZNQCLSA-N 450.183 5.311 50 10 JKGE CC1(C)CC[C@H](Cl)[C@H](Cc2ccc(I)c(Br)c2)CC1 2349778906 PPKDLDABOLDRBA-JSGCOSHPSA-N 455.605 6.420 50 10 JKGE ClCC[C@H](NCc1ccc(I)c(Br)c1)C1CCCC1 2349838423 ZTFZCEJTSDYSQN-HNNXBMFYSA-N 456.593 5.331 50 10 JKGE Brc1ccc(OCc2ccccc2)c([C@H](Br)[C@@H]2CCCc3ccccc32)c1 2361178653 POPCYWBGHVTCRQ-ZJSXRUAMSA-N 486.247 7.584 50 10 JKGE CC1(C)COc2c([C@H](Br)c3cnsc3Br)cc(Br)cc21 2362467019 LOJJAUSCFHFHMI-NSHDSACASA-N 482.035 5.822 50 10 JKGE C[C@]12C[C@H](C1)[C@H]([C@@H](Br)c1c(F)cc(Br)c(F)c1Br)CO2 2362921360 FQHXWZWMGVYKHA-CYCXOIKXSA-N 474.965 5.741 50 10 JKGE Cn1nc(Br)c(Br)c1[C@@H](Cl)c1c(Br)cc(F)c(F)c1F 2364063116 GJMJKRKCPPWCSB-ZETCQYMHSA-N 497.334 5.453 50 10 JKGE COc1c(Br)cc(C)c([C@@H](Br)C[C@@H]2CC[C@@H]3C[C@H]23)c1Br 2365192738 XCPRQIAJHNYOQV-RHYQMDGZSA-N 467.039 6.401 50 10 JKGE Cc1cc(Br)c(F)c(Br)c1[C@@H](Br)C1(CC(F)(F)F)CC1 2365224993 DVBKGCOYXMTUTQ-LLVKDONJSA-N 482.935 6.828 50 10 JKGE COCCc1ccc([C@H](Br)c2ccc(Cl)cc2I)cc1 2365594249 YRMNHNMIGDOGQJ-INIZCTEOSA-N 465.556 5.618 50 10 JKGE O=C(NC1CCCCCC1)[C@@H](c1ccc(F)cc1Cl)N(Cc1ccccc1)C(=O)CCl 3039217 FZKSLNJBARTUMF-HSZRJFAPSA-N 465.396 5.627 50 10 JKGE CCn1c(NNC(=O)c2cc(-c3ccc(Cl)cc3)nc3ccccc23)nc2ccccc2c1=O 9857176 VUQBDSPUDQXOGM-UHFFFAOYSA-N 469.932 5.042 50 10 JKGE C[C@@H](Oc1ccc(-c2ccccc2)cc1)C(=O)NNC(=O)[C@@H](C)Oc1ccc(Cl)cc1Cl 14038644 VXMDMAJXJDSRBT-HZPDHXFCSA-N 473.356 5.043 50 10 JKGE CC(C)(C)c1cc(Br)ccc1OCC(=O)NNC(=O)C(c1ccccc1)c1ccccc1 14668168 BQDGNOJEPLGYTO-UHFFFAOYSA-N 495.417 5.105 50 10 JKGE COc1ccc(-c2nn(-c3ccccc3)cc2/C=C(\C#N)c2nc(O)c3ccccc3n2)c(C)c1 34988517 OLXCSPSELIMWJH-XDJHFCHBSA-N 459.509 5.569 50 10 JKGE CCCOc1cccc(-c2nn(-c3ccccc3)cc2/C=C(/C#N)C(=O)Nc2ccc(C)cc2)c1 35446607 WMGPBMOQYCDXJV-QJOMJCCJSA-N 462.553 6.182 50 10 JKGE CCCOc1ccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)COc4ccc(CC)cc4)ccc32)cc1 38650709 UWMUFWJVBIYQRZ-MUUNZHRXSA-N 484.552 5.240 50 10 JKGE C=CCOc1ccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)COc4ccc(CC)cc4)ccc32)cc1 38658235 HWRNNPDKNOQAFT-MUUNZHRXSA-N 482.536 5.016 50 10 JKGE Cc1ccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)COc4cc(C)c(Cl)c(C)c4)ccc32)o1 38659298 RHVYSGFDVJJWNH-QHCPKHFHSA-N 464.905 5.061 50 10 JKGE CCCCCOc1ccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4ccccc4)ccc32)cc1OCC 38684284 MKUNZEFZPWJTRG-NDEPHWFRSA-N 498.579 6.092 50 10 JKGE Cc1c(C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@H]3c2ccc(Cl)cc2)oc2ccc(F)cc12 38687801 NSOFLPGMHRYRSZ-QHCPKHFHSA-N 474.875 5.971 50 10 JKGE O=C(NNc1ncnc(Sc2ccc(Cl)cc2)c1[N+](=O)[O-])c1cccc2ccccc12 40607734 IGSFEPAICRFKEW-UHFFFAOYSA-N 451.895 5.100 50 10 JKGE Cc1c(C(=O)N2c3ccc(F)cc3CC[C@@H]2C)oc2c1/C(=N/NC(=O)c1ccccc1Cl)CCC2 40812608 SJKLWCOUOLWDFL-ZEGMAUPVSA-N 493.966 5.832 50 10 JKGE CCOC(=O)c1ccsc1NC(=O)/C(C#N)=C\c1ccc(OC)c(COc2ccc(F)cc2F)c1 96438793 UQHISFGLEPPJOV-YBEGLDIGSA-N 498.507 5.336 50 10 JKGE Cc1c(Br)cccc1[C@@H](Cl)c1cc(Br)sc1Br 115161360 SCOJHDMSEYIPDW-LLVKDONJSA-N 459.428 6.672 50 10 JKGE Cc1cc([C@H](Br)c2cc3[nH]c(=O)[nH]c3cc2Br)sc1Br 123429340 UJHFZDNSWSJQSY-LLVKDONJSA-N 481.007 5.235 50 10 JKGE Cc1ccc([C@@H](Br)c2cc(Br)ccc2Br)cc1Br 130443280 MCZWRTIUPFOSGE-CQSZACIVSA-N 497.850 6.767 50 10 JKGE CCc1nn(C)c(CC(CBr)(CBr)C2CCCC2)c1Br 160149611 CSZGPVQCYLBPKN-UHFFFAOYSA-N 471.075 5.254 50 10 JKGE Cc1sc(Br)cc1[C@@H](Cl)c1cc(Br)ccc1Br 161109945 IYBFANVDBKPZHX-GFCCVEGCSA-N 459.428 6.672 50 10 JKGE CCCCCCCCCOc1ccc(/C=N\NC(=O)Cc2ccc(OC)cc2)cc1OCC 169901159 KDSSXIAKJVWRLH-HFTWOUSFSA-N 454.611 5.916 50 10 JKGE Cc1ccc(Cl)cc1[C@@H](Br)c1cc(Br)ccc1Br 213832356 GBNCZSXCNPLQJW-CQSZACIVSA-N 453.399 6.658 50 10 JKGE Brc1cc([C@H](Br)[C@H]2CCc3ccccc3C2)c(Br)s1 223608809 BECSVVAIAYDEOU-SMDDNHRTSA-N 465.048 6.514 50 10 JKGE COc1ccc([C@H](Cl)c2ccc(Br)cc2Cl)c(OC)c1Br 224842845 BDJQDGWEAYIFSY-CQSZACIVSA-N 454.973 6.210 50 10 JKGE COc1ccc([C@@H](Br)c2cc(Cl)cc(Br)c2)cc1Br 234973141 IVJDHMMHZFYXHJ-CQSZACIVSA-N 469.398 6.358 50 10 JKGE C[C@@H](SCc1ccccc1)C(=O)NN=Cc1ccc(OCc2cccc3ccccc23)cc1 254766687 PBFUWMOOMSXXJD-OAQYLSRUSA-N 454.595 6.191 50 10 JKGE Cc1cc(C)c([C@@H](Br)c2ccc(Cl)cc2Br)c(C)c1Br 312748069 KMMNXVHMMHBJNQ-INIZCTEOSA-N 481.453 7.275 50 10 JKGE O=C(OCc1ccccc1)N1C[C@H](c2cc(Cl)ccc2I)[C@@H](CCl)C1 382727758 RQBNHOBVQXTICA-YOEHRIQHSA-N 490.168 5.536 50 10 JKGE C[C@H](Cl)c1nc2cc(I)ccc2n1CC1(N(C)Cc2ccccc2)CCC1 386807928 CZCJPIBIOVTBGU-INIZCTEOSA-N 493.820 5.995 50 10 JKGE c1ccc(P(c2ccccc2)[C@@H]2C[C@H]3CC[C@]2(P(c2ccccc2)c2ccccc2)O3)cc1 642813999 LVFPTNGFPBTYFO-HGLPBTONSA-N 466.501 5.900 50 10 JKGE Fc1ccc([C@@H](Br)c2cc(Cl)cc(Br)c2)c(F)c1Br 691635086 LPODTGMYADMLJR-NSHDSACASA-N 475.352 6.628 50 10 JKGE CC(C)(C)c1cccc([C@@H](Br)c2cc(Br)sc2Br)c1 691736526 DBZLVDUFOXOAGL-CYBMUJFWSA-N 467.064 7.055 50 10 JKGE Cc1ccc(COc2c(Br)cc(Cl)cc2CBr)cc1Br 708156285 HWNBZMHVWOKGFV-UHFFFAOYSA-N 483.425 6.647 50 10 JKGE C[C@@H](Cl)c1nc2cc(I)c(F)cc2n1CC1CN(Cc2ccccc2)C1 716244167 NGDUBRQHAOWWHY-CYBMUJFWSA-N 483.756 5.212 50 10 JKGE CCc1ccc([C@H](Br)c2ccc(I)c(Br)c2)s1 721589718 UKXXEKDZBUOTAZ-CYBMUJFWSA-N 486.010 6.162 50 10 JKGE CCO[C@@H]1CCC[C@H](O[C@H](CI)c2cccc(Br)c2)C1 721645118 ZWNJJVGSTSJMGT-OWCLPIDISA-N 453.158 5.290 50 10 JKGE O=C(Nc1ccccc1Cl)[C@H](c1cccs1)N(C(=O)CCl)c1cccc(C(F)(F)F)c1 725238811 XHTLYXQMTWBUCW-IBGZPJMESA-N 487.330 6.372 50 10 JKGE O=C(OCc1ccccc1)N1C[C@H](c2ccc(OC(F)(F)F)cc2)[C@@H](CBr)C1 725418452 ZJLGFFCFQARJAZ-FUHWJXTLSA-N 458.274 5.332 50 10 JKGE Cc1cc(-n2c(C)cc(C=NNC(=O)c3cc4ccccc4o3)c2C)ccc1I 1084267626 DEYASZMZZNJCOA-UHFFFAOYSA-N 497.336 5.517 50 10 JKGE Cc1cc(C)c2c(CC(=O)NN=C3CCCc4oc(C(=O)N5CCCC[C@H]5C)c(C)c43)coc2c1 1772751702 JZLWGXYLHQCIKO-GOSISDBHSA-N 475.589 5.365 50 10 JKGE CCCCOc1ccc(C=NNC(=O)COc2ccc(Br)cc2C(C)(C)C)cc1 1772754154 CUIJPPICUJITJD-UHFFFAOYSA-N 461.400 5.455 50 10 JKGE CCCn1nc(-c2ccc(OC)cc2)c2c1OC(N)=C(C#N)[C@@H]2c1ccc(Cl)c(Cl)c1 1865685350 HHGCQCPZCWUOKK-IBGZPJMESA-N 455.345 5.494 50 10 JKGE Cc1ccc([C@@H]2C(C#N)=C(N)Oc3c2c(-c2ccccc2)nn3Cc2cccc(Cl)c2)cc1 1865685828 NNQUDTSZAZRWKZ-HSZRJFAPSA-N 452.945 5.778 50 10 JKGE N#CC1=C(N)Oc2c(c(C(F)(F)F)nn2-c2ccc(Cl)cc2)[C@H]1c1ccc(Cl)c(Cl)c1 1865686357 VJSQSUCHKLDFJC-HNNXBMFYSA-N 485.680 6.069 50 10 JKGE CCCOc1ccc([C@H]2C(C#N)=C(N)Oc3c2c(CCC)nn3-c2ccc(OC)cc2)cc1OCC 1865688387 QVZXNFBODOWVHC-VWLOTQADSA-N 488.588 5.239 50 10 JKGE CCOc1cccc([C@@H]2C(C#N)=C(N)Oc3c2c(-c2ccc(OC)cc2)nn3Cc2ccc(F)cc2)c1 1865690212 LNHHDDXQKQMIOK-RUZDIDTESA-N 496.542 5.363 50 10 JKGE CCc1nn(-c2ccc(Cl)c(Cl)c2)c2c1[C@@H](c1ccc(OC(C)C)c(OC)c1)C(C#N)=C(N)O2 1865697545 WDHQRPHJGYCBPD-QFIPXVFZSA-N 499.398 5.755 50 10 JKGE Cc1nc(-c2ccc(Cl)cc2)ccc1C(=O)NNC(=O)/C=C/c1ccc(Cl)cc1Cl 1865755580 GLUFSHKOASTRLO-VZUCSPMQSA-N 460.748 5.492 50 10 JKGE CCC[C@H](NC(=O)[C@H](c1ccc(Br)cc1)C(C)C)C(=O)Nc1ccc(SC#N)cc1 1866975944 VSQBGBHJCSACQF-SFTDATJTSA-N 488.451 5.685 50 10 JKGE CCCCOc1ccc(/C(O)=C(\C#N)c2nc(-c3ccc(OCC)cc3)cs2)cc1OCC 1872747768 STTBOXWHHQVXKY-DAFNUICNSA-N 464.587 6.736 50 10 JKGE N#C/C(=C(/O)CCCOc1ccc2ccccc2c1)c1nc(-c2ccc(Cl)c(Cl)c2)cs1 1872749391 PDPHZEJUNZDHLC-GFMRDNFCSA-N 481.404 7.922 50 10 JKGE Cc1ccc(C)c(-c2csc(/C(C#N)=C(\O)c3ccc4c(c3)C(=O)N(Cc3ccccn3)C4=O)n2)c1 1872749888 LYRBJQSJTDUBCV-BZZOAKBMSA-N 492.560 5.568 50 10 JKGE CCCCCCOc1ccc(/C(O)=C(\C#N)c2nc(-c3ccc(C(C)(C)C)cc3)cs2)cc1 1872750512 GBVCZAIHOMVHBA-LCUIJRPUSA-N 460.643 8.017 50 10 JKGE CCOc1ccc(/C=C/C(O)=C(\C#N)c2nc(-c3cc(C(C)C)c(OC)cc3C)cs2)cc1OC 1872753673 IKHBMTUKXPVEAU-LCTZOBSXSA-N 490.625 7.164 50 10 JKGE COCCCN1C(=O)c2ccc(/C(O)=C(\C#N)c3nc(-c4c(C)cc(C)cc4C)cs3)cc2C1=O 1872756837 CTBXBZUXRKEIND-FLFQWRMESA-N 487.581 5.318 50 10 JKGE COc1c(C)cc(Cl)cc1-c1csc(/C(C#N)=C(\O)COc2c(C)ccc(C)c2C)n1 1872757239 WCXIQPDULUAROL-VZCXRCSSSA-N 454.979 6.577 50 10 JKGE COc1ccc(Cl)cc1-c1csc(/C(C#N)=C(\O)CCCOc2ccc(Cl)cc2)n1 1872758637 JHLDFIIOKBBGRJ-ZZEZOPTASA-N 461.370 6.777 50 10 JKGE COc1cc(/C=C(\C#N)c2nc(-c3ccc4ccccc4c3)cs2)ccc1OCCc1ccccc1 1872782344 FUOUVMFRLSPSKX-WPWMEQJKSA-N 488.612 7.658 50 10 JKGE Cc1ccccc1COc1ccc(/C=C(\C#N)c2nc(-c3ccc([N+](=O)[O-])cc3)cs2)cc1 1872784677 VDIYHDHHDSAILJ-HYARGMPZSA-N 453.523 6.670 50 10 JKGE N#C/C(=C\c1ccccc1OCc1ccc(Cl)cc1)c1nc(-c2cccc(Cl)c2)cs1 1872790109 LNWFALVGBXPYID-UDWIEESQSA-N 463.389 7.760 50 10 JKGE C[C@@H](CCBr)N(Cc1ccccc1)Cc1sc(Cl)cc1Br 1892990436 YTFHCOJREYVWOT-LBPRGKRZSA-N 451.655 6.340 50 10 JKGE C[C@@]1(C(F)(F)F)C[C@@H]1Oc1c(Br)cc(CBr)cc1Br 1909555556 GNLXXGKZNCCKAN-GXSJLCMTSA-N 466.917 5.826 50 10 JKGE Cc1nsc(Br)c1[C@H](Br)c1ccc(Br)c2ccccc12 1912983373 ZAOPVYPZWAUSJJ-CQSZACIVSA-N 476.031 6.614 50 10 JKGE Cc1c(Br)sc([C@H](Br)c2csc(Cl)c2)c1Br 1922893811 HTUWDZNSXQUUHS-MRVPVSSYSA-N 465.457 6.781 50 10 JKGE Cc1c(Br)sc([C@@H](Br)[C@@H]2CC23CCOCC3)c1Br 1922906425 JELAULKTLVLKLN-WPRPVWTQSA-N 459.041 5.834 50 10 JKGE Cc1cc([C@@H](Cl)c2sc(Br)c(C)c2Br)oc1Br 1922931142 ZPJOFWDDISDSBU-MRVPVSSYSA-N 463.416 6.574 50 10 JKGE Cc1ccc([C@H](Cl)c2c(Br)sc(Br)c2Br)c(Cl)c1 1924591704 SZPWMICLZXLCIN-JTQLQIEISA-N 493.873 7.326 50 10 JKGE CC(C)(C1CCC1)[C@H](Cl)c1c(Br)sc(Br)c1Br 1924605336 PNIWRNVJPCRGEB-SECBINFHSA-N 465.476 7.142 50 10 JKGE Cl[C@H](c1c(Br)sc(Br)c1Br)[C@@H]1CCC2(CC2)C1 1950247555 YAZVGINAKHVYEX-MUWHJKNJSA-N 463.460 6.896 50 10 JKGE CN(c1cc(Br)cc(F)c1CBr)[C@@H]1CCCN(Cc2ccccc2)C1 2051131526 MAJDXTGSAFCECV-QGZVFWFLSA-N 470.224 5.584 50 10 JKGE CC1([C@@H](Br)c2c(Br)sc(Br)c2Cl)CCCCCC1 2052512957 NTPDMULXNVLJNQ-JTQLQIEISA-N 479.503 7.723 50 10 JKGE FC1(F)CC2(C[C@@H]2[C@@H](Br)c2c(Br)sc(Br)c2Cl)C1 2069069494 SPCQSTDCHHISMP-INEUFUBQSA-N 485.413 6.798 50 10 JKGE Brc1cc(Br)c([C@@H](Br)C2C3(CCC3)C23CCC3)s1 2083563524 CLJGKWCMYAMNQP-SNVBAGLBSA-N 455.053 6.680 50 10 JKGE Fc1cc(Cl)c([C@H](Br)c2cccc(Br)c2Br)cc1F 2092328017 HXXVYCZYZIVLJS-GFCCVEGCSA-N 475.352 6.628 50 10 JKGE C[C@H]1CN(Cc2cc(Br)ccc2Br)CC[C@H]1CCBr 2118519530 KZXKZIOWXOYWAR-NWDGAFQWSA-N 454.044 5.455 50 10 JKGE FC1(F)CCN(Cc2cc(Br)ccc2Br)C[C@H]1CBr 2118519763 NJHWMOYFMDMGLQ-SNVBAGLBSA-N 461.970 5.064 50 10 JKGE FC1(F)CCN(Cc2cc(Br)ccc2Br)CC[C@@H]1Br 2118524506 KBCZGEDALIASHC-LBPRGKRZSA-N 461.970 5.206 50 10 JKGE COc1c(Br)cc(C)cc1[C@H](Br)c1ccccc1OCc1ccccc1 2139006726 XVYGUAUERUWGQU-OAQYLSRUSA-N 476.208 6.829 50 10 JKGE COc1cc(Br)c(C)cc1[C@@H](Br)c1ccc(C)c(Br)c1 2145961835 KDGOEHYMXFHYKI-INIZCTEOSA-N 463.007 6.321 50 10 JKGE O=C1COc2ccc([C@H](Br)c3csc(Br)c3Br)cc2N1 2150342521 WVRZQZFJVMWVIX-NSHDSACASA-N 481.991 5.088 50 10 JKGE Cc1sc(Br)cc1[C@H](Br)c1cc2nc(O)[nH]c2cc1Br 2152048594 XIJCAFNQEBKEMU-LBPRGKRZSA-N 481.007 5.648 50 10 JKGE O=C(N[C@@H](CBr)[C@@H]1CC=CCC1)c1cccc(Br)c1Br 2196138463 ATNQMZXFABRIRJ-MFKMUULPSA-N 466.011 5.061 50 10 JKGE Cc1cc(Br)c(C)c([C@H](Br)CCC2CCCCC2)c1Br 2201073891 OXLLUNMGGWCDCF-CQSZACIVSA-N 467.083 7.625 50 10 JKGE Cc1cc(Br)c(C)c([C@H](Br)C[C@H]2C[C@H]3CC[C@H]2C3)c1Br 2201074874 STPLWPBNCHPHQV-RMRHIDDWSA-N 465.067 7.091 50 10 JKGE COc1ccc([C@H](Br)c2nn(C)c(Cl)c2Br)c(Cl)c1Cl 2203433551 QHJSQYQONCKLPR-ZETCQYMHSA-N 463.384 5.636 50 10 JKGE Brc1ccc([C@H](Br)[C@@H]2CC[C@H]3CCCC[C@H]3C2)c(Br)c1 2203687118 PBXVXAIJEPAJJP-IPJQOSJUSA-N 465.067 7.254 50 10 JKGE Cc1cc(Br)c(C(=O)N(Cc2ccccc2)[C@@H](CBr)C2CC2)s1 2211918238 RGHLCBJWCGAXCQ-INIZCTEOSA-N 457.231 5.635 50 10 JKGE Cc1cc(Br)c([C@H](Br)C2CC(Br)C2)c(C)c1Br 2214651817 DCTWIGXGKMYOJO-KJHLLKJSSA-N 489.871 6.438 50 10 JKGE Cc1sc(Br)c(C)c1[C@H](Br)c1cc(F)ccc1Br 2218800834 NVUPTXRUHLWKQW-GFCCVEGCSA-N 457.000 6.513 50 10 JKGE Fc1cc(F)c([C@@H](Br)c2cc(Br)c(Cl)s2)c(F)c1Br 2227804821 OLTBBKJGWDZZNS-VIFPVBQESA-N 499.371 6.828 50 10 JKGE Brc1c([C@H](Br)c2ccc(I)cc2)ccc2c1CCO2 2229742708 VYZRDCUGEHUUIM-CQSZACIVSA-N 493.964 5.473 50 10 JKGE Cc1ccc(I)c([C@@H](Br)c2cc(C)c(F)cc2Cl)c1 2232220678 VYYOUQHVLKWSRH-HNNXBMFYSA-N 453.520 6.185 50 10 JKGE COc1c(C)cc(Br)cc1[C@H](Br)c1sc(C)c(C)c1Br 2237632072 SEDGTKZWFBKESO-ZDUSSCGKSA-N 483.063 6.691 50 10 JKGE Brc1ccccc1[C@@H](CI)O[C@H]1CCN(Cc2ccccc2)C1 2244772326 YGHHTDVOBOKCFF-QFBILLFUSA-N 486.191 5.216 50 10 JKGE Clc1cc([C@H](Br)c2cc(Br)co2)c(Cl)c(Cl)c1Cl 2258119651 XOIPYJLXVAMROR-QMMMGPOBSA-N 453.772 7.140 50 10 JKGE Fc1cc(Br)c(F)c(Br)c1[C@H](Br)[C@@H]1C[C@@H]2CCC[C@@H]21 2272853997 CKBLEHCAOTZDCM-OUDXYJABSA-N 458.966 6.362 50 10 JKGE Cc1cc(Br)c([C@@H](Br)c2c(C)nn(C)c2Br)c(C)c1F 2279150133 VEYPYXRRMLQMAU-GFCCVEGCSA-N 468.990 5.494 50 10 JKGE O=C(c1cc(Br)c(Br)s1)N1C[C@H](Br)C[C@H]2CCCC[C@@H]21 2279557409 YYUSASLRDASRQZ-KKZNHRDASA-N 486.067 5.441 50 10 JKGE Fc1cc([C@@H](Br)c2ccc(F)c(Br)c2F)c(F)cc1Br 2282135692 IWQAISWGODYZQI-NSHDSACASA-N 476.887 6.252 50 10 JKGE COc1cc(C)c([C@@H](Br)c2cccc(Cl)c2Br)cc1Br 2283200191 OTCTZEJAMWLXAB-AWEZNQCLSA-N 483.425 6.666 50 10 JKGE CC(C)(C)OC(=O)NCC[C@@H](N(CCCCCCCBr)C1CC1)C(F)(F)F 2294698159 GSTHZTGJENMURX-MRXNPFEDSA-N 459.391 5.642 50 10 JKGE FC1(F)CC[C@]2(C1)[C@H](Br)C[C@H]2Oc1cc(I)ccc1Cl 2295123070 YTJDCDVWOPMOSL-UPJWGTAASA-N 477.514 5.665 50 10 JKGE CCCCCCOc1ccc(-c2nn(-c3ccccc3)cc2C=C(C#N)C(=O)NC2CCCCC2)cc1 2296705175 YQZFDQRYQYMMDT-UHFFFAOYSA-N 496.655 6.854 50 10 JKGE FC(F)(F)C(F)(F)[C@@H](Br)c1cc(Br)ccc1OCc1ccccc1 2299492997 JYFYUVITOMBIAQ-AWEZNQCLSA-N 474.061 6.662 50 10 JKGE CCCC[C@H](CC)[C@H](Br)c1ccc(OCc2ccccc2)cc1Br 2299497755 RZMLZJQKAXFXNP-UWJYYQICSA-N 454.246 7.681 50 10 JKGE Brc1ccc(OCc2ccccc2)c([C@H](Br)[C@@H]2C[C@H]3CCC[C@@H]32)c1 2299503949 JSNHBQNGIHLYBP-LNNXQNCSSA-N 450.214 6.900 50 10 JKGE CCOc1cc(C=C(C#N)C(=O)Nc2ccc(OC)cc2)ccc1OCc1ccccc1C#N 2313511066 LXNDRSSSPBQIRQ-UHFFFAOYSA-N 453.498 5.090 50 10 JKGE CCOc1cc(C=C(C#N)C(=O)Nc2ccccc2)cc(Cl)c1OCc1ccc(F)cc1 2313541176 ZHAKAPUBVMWZCM-UHFFFAOYSA-N 450.897 6.002 50 10 JKGE CCc1ccccc1NC(=O)C(C#N)=Cc1ccccc1OCc1ccc(Br)cc1 2313724476 ASOPGTJFAYQBQK-UHFFFAOYSA-N 461.359 6.136 50 10 JKGE N#CC(=Cc1cccc(OC(=O)c2ccc(Cl)cc2)c1)C(=O)Nc1cc([N+](=O)[O-])ccc1Cl 2313738571 HLBRKLFRQRHAPZ-UHFFFAOYSA-N 482.279 5.666 50 10 JKGE CCOc1cc(C=C(C#N)C(=O)Nc2cccc([N+](=O)[O-])c2)ccc1OCc1cccc(Cl)c1 2313738827 RHKQKHTYAQIGNB-UHFFFAOYSA-N 477.904 5.772 50 10 JKGE COc1cc(C=C(C#N)c2nc(-c3ccccc3)cs2)ccc1OCC(=O)Nc1nccs1 2314488085 ITYZVAJNWBPIOD-UHFFFAOYSA-N 474.567 5.357 50 10 JKGE Cc1ccc(I)c([C@@H](Br)c2c(Cl)sc(Cl)c2C)c1 2314508098 HRHOEFGRVXHULB-LLVKDONJSA-N 476.004 6.761 50 10 JKGE CCC(C)(C)c1ccc(OCCCC(=O)Oc2ccc(C=C(C#N)C(=O)OC)cc2OC)cc1 2314808146 CDKNUSPTFYLFPH-UHFFFAOYSA-N 465.546 5.227 50 10 JKGE Fc1c(Br)cc(Cl)c([C@H](Br)[C@H]2C[C@@H]3C[C@@H]3C2)c1Br 2315457400 BVPIZMYHQXVFAJ-KNAPAATOSA-N 461.394 6.486 50 10 JKGE Clc1cc(I)c([C@H](Br)C[C@H]2CCCCC23CC3)s1 2316601683 WTVXLXMGZKABPR-NXEZZACHSA-N 459.618 6.803 50 10 JKGE CCN(C[C@](C)(CBr)OCc1cccc(Cl)c1Cl)C(=O)OC(C)(C)C 2317190441 SBWVYLRXIIMYHH-SFHVURJKSA-N 455.220 5.921 50 10 JKGE CCOc1cc(C(=O)Oc2ccc(C=C(C#N)c3cccc(Cl)c3)cc2)cc(OCC)c1OCC 2318356297 NFCMBBNHALKZJY-UHFFFAOYSA-N 491.971 6.819 50 10 JKGE N#CC(=CNc1ccc(Cl)c(C(F)(F)F)c1)C(=O)Nc1ccccc1Sc1ccccc1 2325336854 FRBRAIYFFBSCTP-UHFFFAOYSA-N 473.907 6.968 50 10 JKGE COc1ccc(C=C2Oc3c(ccc(OCc4ccc(CCl)cc4)c3C)C2=O)c(OC)c1 2325339547 ZEHSUFWKRZRCEL-UHFFFAOYSA-N 450.918 5.946 50 10 JKGE N#CC(=CNc1ccc(I)cc1)C(=O)Nc1ccc(Cl)c(C(F)(F)F)c1 2325384883 NMIZNWVADVRRNT-UHFFFAOYSA-N 491.638 5.421 50 10 JKGE CCc1ccc(C(C)=CC(=O)N[C@@H](Cc2ccccc2)C(=O)Nc2ccc(SC#N)cc2)cc1 2329523832 XTHXXCOHADDQKA-SANMLTNESA-N 469.610 5.592 50 10 JKGE COc1ccccc1-c1csc(C(C#N)=C(O)[C@@H](C)Oc2ccc(Cl)cc2Br)n1 2331282113 FIXFNRPYZXSXCW-GFCCVEGCSA-N 491.794 6.495 50 10 JKGE CCCCCCCOc1ccc(-c2csc(C(C#N)=C(O)Cc3ccccc3[N+](=O)[O-])n2)cc1 2331344927 ZMQWZTZVTXQRJE-UHFFFAOYSA-N 477.586 7.103 50 10 JKGE CC[C@H](C)N1C(=O)c2ccc(C(O)=C(C#N)c3nc(-c4c[nH]c5ccccc45)cs3)cc2C1=O 2331346716 FSKRSWXEKXWXAJ-AWEZNQCLSA-N 468.538 5.636 50 10 JKGE COc1ccc(-c2csc(C(C#N)=C(O)[C@@H](C)Oc3ccccc3C(C)C)n2)c(OC)c1 2331385449 DYVJDULUURGYOL-MRXNPFEDSA-N 450.560 6.211 50 10 JKGE COc1ccc(-c2csc(C(C#N)=C(O)[C@H](C)Oc3ccc(C(C)C)cc3)n2)cc1Cl 2331398325 HMSPWXWQAPSXOA-HNNXBMFYSA-N 454.979 6.856 50 10 JKGE COc1cc(C=C(C#N)c2nc(-c3cc(Cl)cc(C)c3OC)cs2)ccc1OC(C)C 2331474462 JTLYCSSGSIWZRM-UHFFFAOYSA-N 454.979 6.641 50 10 JKGE Brc1ccc(OCc2ccccc2)c([C@H](Br)c2cc3ccccc3s2)c1 2336048768 XERZLKBQEBELOY-QFIPXVFZSA-N 488.244 7.727 50 10 JKGE CC(C)(C)O[C@H]1C[C@@H]([C@@H](Br)c2cc(Br)ccc2OCc2ccccc2)C1 2336077764 KSRNDLONMTVJNY-PLMTUMEDSA-N 482.256 7.058 50 10 JKGE Fc1cc(Br)ccc1C[C@H](Cl)c1cc(Br)ccc1OCc1ccccc1 2336087429 XAHTUNBJAVABSV-IBGZPJMESA-N 498.617 7.452 50 10 JKGE Cc1scc([C@@H](Br)c2c(Cl)cc(Br)c(F)c2Br)c1C 2337080961 PAEGPGSENGVJDH-LLVKDONJSA-N 491.445 7.167 50 10 JKGE Cn1cnc(Br)c1[C@@H](Br)c1cc(Cl)c(Cl)c(Cl)c1Cl 2337272341 HXCWPNRECZIRIK-LURJTMIESA-N 467.803 6.281 50 10 JKGE Cc1cc(F)c(CBr)c(Oc2cc(Br)cc(I)c2)c1 2338754197 FJAHCCSWOUHWRL-UHFFFAOYSA-N 499.943 6.188 50 10 JKGE C[C@@]1(C(F)(F)F)C[C@@]1(CBr)Cc1ccc(Cl)cc1I 2341050490 NTHXPCNZOZGQKG-VXGBXAGGSA-N 467.494 5.841 50 10 JKGE BrC[C@H](OCc1cc(I)ccc1Br)c1ccccc1 2341838087 NZKPPEBSHIGJNY-HNNXBMFYSA-N 495.980 5.707 50 10 JKGE COc1ccc(C[C@H](Br)c2ccc(OCc3ccccc3)cc2Br)cc1F 2361200747 MECJDAXVYKMDAC-IBGZPJMESA-N 494.198 6.855 50 10 JKGE COc1ccc([C@@H](Br)c2ccc(OCc3ccccc3)cc2Br)c(OC)c1 2361201841 WMBPOEBJXBJRMI-QFIPXVFZSA-N 492.207 6.530 50 10 JKGE Fc1c(Cl)cccc1[C@H](Cl)c1c(Cl)cc(Br)c(F)c1Br 2362221918 BJDHPVZDTJKGBB-NSHDSACASA-N 465.346 7.125 50 10 JKGE Cc1cc(C)c([C@@H](Br)c2c(Br)nc(C)n2C)c(C)c1Br 2362447677 ZGFDLEHPTMQVTE-CYBMUJFWSA-N 465.027 5.663 50 10 JKGE COc1c(Br)cc(C)c([C@@H](Br)CC2(OC)CCC2)c1Br 2365188574 MOHGZZNEODWDRZ-NSHDSACASA-N 471.027 5.924 50 10 JKGE ClC[C@@H]1C[C@@H]2CCCC[C@@H]2N1Cc1ccc(I)c(Br)c1 2377313762 DSJTVUIYQXYRKW-XEZPLFJOSA-N 468.604 5.426 50 10 JKGE CC(C)(C)C1CC(CCl)(NCc2ccc(I)c(Br)c2)C1 2377318640 UPHFCHJZFGWURY-UHFFFAOYSA-N 470.620 5.577 50 10 JKGE CC(C)(C)OC(=O)N1CC[C@@H](C(F)(F)F)N(C[C@@](C)(CBr)C(C)(C)C)CC1 2380192373 RYHSXAAGVFMBDZ-KBXCAEBGSA-N 459.391 5.307 50 10 JKGE Cc1ccc(N(C(=O)CCl)[C@H](C(=O)N[C@@H]2CCCC[C@H]2C)c2ccccc2Cl)cc1C 33404649 MXBROKXCOQHDBE-BSDZUQITSA-N 461.433 5.965 50 10 JKGE N#C/C(=C/c1ccc(-c2ccc(Br)cc2)o1)C(=O)Nc1ccc(Cl)cc1[N+](=O)[O-] 33930201 WOYJHKHOUNMEAD-LCYFTJDESA-N 472.682 5.816 50 10 JKGE CCOc1ccccc1[C@@H]1C(C#N)=C(N)Oc2cc(OC(=O)c3cccc4ccccc34)ccc21 38650526 WOYMJPVUZIRSFK-MHZLTWQESA-N 462.505 5.676 50 10 JKGE CCOc1cccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4ccc(Cl)cc4Cl)ccc32)c1 38684882 MKVAITNYETWUSU-QHCPKHFHSA-N 481.335 5.829 50 10 JKGE CCCCCOc1ccccc1[C@H]1C(C#N)=C(N)Oc2cc(OC(=O)c3ccc(C)cc3)ccc21 38685987 SBPXVJSDHPLJPC-HHHXNRCGSA-N 468.553 6.001 50 10 JKGE CCCCNC(=O)/C(C#N)=C/c1ccc(OC(=O)COc2ccc(-c3ccccc3)cc2)c(OC)c1 40988031 BPXXBHTVRGJBRR-JJIBRWJFSA-N 484.552 5.170 50 10 JKGE CCCCCCOc1ccc(/C=C(\C#N)C(=O)Nc2nc(-c3ccc(F)cc3)c(C)s2)cc1OC 41013057 LULPYYDMDOMYDC-RCCKNPSSSA-N 493.604 6.771 50 10 JKGE CCOc1ccccc1NC(=O)/C(C#N)=C/c1ccc(COc2c(Cl)cc(Cl)cc2Cl)o1 58978578 MSWLPLRYEVHJEP-NTEUORMPSA-N 491.758 6.763 50 10 JKGE Cc1cc(/C=C(/C#N)C(=O)Nc2ccc(Cl)cc2)c(C)n1-c1cc(C(F)(F)F)ccc1Cl 97990494 BFDITASIJBUWSN-YBEGLDIGSA-N 478.301 6.965 50 10 JKGE BrCC(CBr)(Cc1ccsc1)c1ccccc1Br 118672011 SLHPPOAKVHKABL-UHFFFAOYSA-N 453.037 5.781 50 10 JKGE Clc1ccccc1CO[C@@H](CI)c1ccc(Br)cc1 162010450 LHVBHHGICQUAAS-HNNXBMFYSA-N 451.529 5.795 50 10 JKGE CC1(C)C[C@H](N=C=O)C[C@](C)(CNC(=O)NCCc2c[nH]c3cc(OCc4ccccc4)ccc23)C1 170291099 JBKBSZLPZIHZRI-IADCTJSHSA-N 488.632 5.509 50 10 JKGE CCCOc1ccc(/C=C(/C#N)C(=O)Nc2cc(OC)c(NC(=O)c3ccccc3)cc2OC)cc1 206416244 KAPCYSQLWPHQJY-QNGOZBTKSA-N 485.540 5.291 50 10 JKGE CCCCOc1ccc(/C=C(/C#N)C(=O)Oc2ccc3cc(C(=O)N[C@@H](C)CC)c(=O)oc3c2)cc1 206544914 GPQONZWSSBXUEB-SBGXLDQMSA-N 488.540 5.013 50 10 JKGE COc1cc(F)c([C@@H](Br)c2ccc(I)c(Cl)c2)c(F)c1 232342403 URIJQVARSWBDQG-AWEZNQCLSA-N 473.482 5.716 50 10 JKGE Fc1cccc(Cl)c1C[C@@H](Br)c1ccc(Br)cc1Br 236142399 LEYTVTDBLKQXEX-GFCCVEGCSA-N 471.389 6.683 50 10 JKGE Cc1ccc(-c2ccc(C=NNC(=O)c3cc4c(ccc5ccccc54)o3)o2)c(Br)c1 252626730 REOFHAVMSKBUPD-UHFFFAOYSA-N 473.326 6.681 50 10 JKGE CCCCCCCCCCCC(=O)NN=Cc1c(OCc2ccc(F)cc2)ccc2ccccc12 254520691 NFQDZGCIFFQZSK-UHFFFAOYSA-N 476.636 7.929 50 10 JKGE Cc1ccsc1C=NNC(=O)CSc1nnc(SCc2cccc3ccccc23)s1 254591165 KEWZZFODTARDHU-UHFFFAOYSA-N 470.670 5.596 50 10 JKGE Cc1cc(C=NNC(=O)c2cc3c(s2)CC[C@H](C)C3)c(C)n1-c1ccc(Cl)c(C(F)(F)F)c1 254764217 CKQXKGCTZDCLRV-ZDUSSCGKSA-N 493.982 6.717 50 10 JKGE Cc1ccc2nc(-c3ccc(C(C)C)cc3)cc(C(=O)NN=C[C@@H](C)Cc3ccc4c(c3)OCO4)c2c1 254876300 VECLZIYIZCKCRY-NRFANRHFSA-N 493.607 6.657 50 10 JKGE CC(=NNC(=O)c1c(O)ccc2ccccc12)c1cccc(NC(=O)c2ccc(Cl)cc2)c1 254877837 IWUXFSULNBIOMF-UHFFFAOYSA-N 457.917 5.605 50 10 JKGE CCC[C@H](Cl)[C@H](CC)COC(=O)c1ccccc1C(=O)OC[C@H](CC)C[C@H](Cl)CC 256071393 BQQJWMBDFUILPD-YXTQBTIXSA-N 459.454 6.868 50 10 JKGE Cc1cc([C@H](Br)c2cc(I)cc3c2OCC3)ccc1Cl 312376431 QMJOMRKFBCHLDO-HNNXBMFYSA-N 463.540 5.672 50 10 JKGE FC1(F)CCC[C@@H](COc2c(Br)cc(Br)cc2CBr)C1 312574885 ZPBSLIFMXLTUFR-SECBINFHSA-N 476.981 6.311 50 10 JKGE CC1(C)C[C@H](Oc2c(Br)cc(Br)cc2CBr)C(C)(C)O1 380590156 LHLLZJVCTUNDCW-LBPRGKRZSA-N 471.027 5.831 50 10 JKGE CC1(C)C[C@@H](Br)C[C@H](NC(=O)c2cc(Br)ccc2Br)C1 693897496 SZFXBSSCRVRZFY-QWRGUYRKSA-N 468.027 5.284 50 10 JKGE Cc1cc(Br)c([C@H](Br)[C@@]2(C)CC[C@@H](C)C2(C)C)cc1Br 698997050 OGSFUFCOLHSLRO-XQAQDONZSA-N 467.083 7.418 50 10 JKGE BrC[C@@H](Cc1ncc(Br)s1)Cc1ccccc1Br 713616674 BJDDZQIMTRCOJP-SECBINFHSA-N 454.025 5.464 50 10 JKGE Fc1cccc([C@H](Cl)c2cc(Br)cc3c2OCC3)c1I 721699480 XTIZFTYIXUFPEK-ZDUSSCGKSA-N 467.503 5.456 50 10 JKGE Cc1ccc(NC(=O)/C(C#N)=C\c2cc(Br)ccc2OCc2ccc(F)cc2)cc1C 1083902773 AHFCWGAVBSOUIE-NDENLUEZSA-N 479.349 6.330 50 10 JKGE CO[C@H](C(=O)NN=Cc1c(Br)c(C)n(-c2ccccc2C)c1C)c1ccccc1 1083991739 KPCIHRZMPGOQKI-QFIPXVFZSA-N 454.368 5.003 50 10 JKGE C=CCc1cc(/C=C(\C#N)C(=O)Nc2ccc(C)cc2)cc(OC)c1OCc1cccc([N+](=O)[O-])c1 1083992526 IQYHUOYWEMSSOA-OEAKJJBVSA-N 483.524 5.765 50 10 JKGE COc1cc(/C=C(/C#N)C(=O)Nc2cccc(Cl)c2Cl)ccc1OC(=O)c1ccccc1 1084013943 FHVNSWMZVMDRPF-ATVHPVEESA-N 467.308 5.767 50 10 JKGE Cc1cc(C=NNC(=O)C(=O)Nc2ccc(Cl)cc2)c(C)n1-c1ccc(Cl)c(Cl)c1 1084049948 WCBSBTQPVZCUKA-UHFFFAOYSA-N 463.752 5.143 50 10 JKGE CC[C@H](Oc1ccc2ccccc2c1Br)C(=O)NN=Cc1ccccc1C(F)(F)F 1084150507 HPZRYUAAKKCGGG-SFHVURJKSA-N 479.296 5.929 50 10 JKGE CCOc1c(Cl)cc(C=NNC(=O)c2ccc(-n3c(C)ccc3-c3ccccc3)cc2)cc1Cl 1084164874 SYNAVQFZQSFNNI-UHFFFAOYSA-N 492.406 6.922 50 10 JKGE CCOc1ccc([C@H](O)CCC(=O)NN=Cc2cc(C)n(-c3ccc(Br)cc3)c2C)cc1 1084166243 OVYBAEAYSMDKJD-XMMPIXPASA-N 498.421 5.219 50 10 JKGE Cc1ccc(COc2ccc(C=NNC(=O)c3ccc(CSc4ccccc4)cc3)cc2)cc1 1084229900 JNDKBNQZNSVGLX-UHFFFAOYSA-N 466.606 6.630 50 10 JKGE CCOc1cc(C=NNC(=O)CC[C@H](O)c2ccccc2)ccc1OCc1ccccc1Cl 1084375656 CBQGFAKRBQMTCS-QHCPKHFHSA-N 466.965 5.282 50 10 JKGE N#Cc1cccc(Cn2cc(C=NNC(=O)c3ccccc3Br)c3ccccc32)c1 1084525798 HEBHTTRNKVTYCP-UHFFFAOYSA-N 457.331 5.088 50 10 JKGE CC(=NNC(=O)c1ccc(CN2CCC(Cc3ccccc3)CC2)cc1)c1cccc([N+](=O)[O-])c1 1084618326 LGNZBOGLWYRMPS-UHFFFAOYSA-N 470.573 5.204 50 10 JKGE COc1ccc(/C(C#N)=C/c2ccc(OC(=O)c3ccc(-n4cccc4)cc3)c(OC)c2)cc1OC 1615065971 BQRTXVBZLYTXLZ-XQNSMLJCSA-N 480.520 5.786 50 10 JKGE 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 1616183670 IOFXIXOKOAYADV-JVKYQPCSSA-N 470.694 6.580 50 10 JKGE Cc1ccc(NC(=O)c2oc3c(c2C)C(=NNC(=O)c2cccc([N+](=O)[O-])c2)CCC3)cc1Cl 1772745749 GFLLWMPJOOANGD-UHFFFAOYSA-N 480.908 5.181 50 10 JKGE Cc1c(C(=O)NCc2ccco2)oc2c1C(=NNC(=O)c1ccc(-c3ccccc3)cc1)CCC2 1772746405 FFLITNIMDNFHLP-UHFFFAOYSA-N 467.525 5.248 50 10 JKGE Cc1c(C(=O)Nc2ccccc2F)oc2c1C(=NNC(=O)c1ccc(Cl)cc1Cl)CCC2 1772747420 HTAOEZWMPZWHJH-UHFFFAOYSA-N 474.319 5.757 50 10 JKGE COc1cc(C=NNC(=O)[C@H](C)Oc2ccc(-c3ccccc3)cc2)cc(Br)c1OC 1772755968 WGGOLZCVSUXVCL-INIZCTEOSA-N 483.362 5.051 50 10 JKGE CC(C)Oc1cccc(/C=C/C(=O)NNC(=O)c2ccc(-c3ccc4ccccc4c3)s2)c1 1860391602 QNJYICPQMPRPKW-XNTDXEJSSA-N 456.567 5.830 50 10 JKGE COc1ccc(-c2nn(Cc3ccc(Cl)cc3)c3c2[C@H](c2ccc(C)cc2)C(C#N)=C(N)O3)cc1 1865685524 JTGDFXNXQUDLQU-XMMPIXPASA-N 482.971 5.787 50 10 JKGE N#CC1=C(N)Oc2c(c(C(F)(F)F)nn2Cc2ccccc2F)[C@H]1c1c(F)cccc1Cl 1865686243 SGXJURZZHZXAJI-OAHLLOKOSA-N 466.797 5.100 50 10 JKGE CCCc1nn(-c2ccccc2Cl)c2c1[C@@H](c1ccc(Cl)c(Cl)c1)C(C#N)=C(N)O2 1865686369 VQMYNUQCMNVWRC-IBGZPJMESA-N 459.764 6.003 50 10 JKGE COc1ccc(-c2nn(-c3cccc(Cl)c3)c3c2[C@@H](c2cc(C)ccc2O)C(C#N)=C(N)O3)cc1 1865687597 VQFQZEDDVRHEDY-QHCPKHFHSA-N 484.943 5.434 50 10 JKGE C=CCOc1ccccc1[C@@H]1C(C#N)=C(N)Oc2c1c(-c1ccccc1)nn2Cc1ccccc1 1865691680 YTTUZGHGEJACFG-RUZDIDTESA-N 460.537 5.381 50 10 JKGE CCCOc1c(OC)cccc1[C@H]1C(C#N)=C(N)Oc2c1c(CC)nn2-c1cccc(Cl)c1 1865692486 GKVSISQOGYPENG-NRFANRHFSA-N 464.953 5.104 50 10 JKGE CCCOc1ccc([C@@H]2C(C#N)=C(N)Oc3c2c(C(F)(F)F)nn3Cc2cccc(F)c2)cc1 1865694130 QDQAGTDUDLOJSI-LJQANCHMSA-N 472.442 5.096 50 10 JKGE CCCOc1ccc([C@@H]2C(C#N)=C(N)Oc3c2c(C(F)(F)F)nn3Cc2cc(C)ccc2C)cc1 1865694329 TXDKMPMKBOVIOX-OAQYLSRUSA-N 482.506 5.574 50 10 JKGE Cc1ccc(Cn2nc(C)c3c2OC(N)=C(C#N)[C@@H]3c2ccc(OCc3ccc(Cl)cc3)cc2)cc1 1865695181 MAZPKPRTDGPTSK-MHZLTWQESA-N 496.998 5.999 50 10 JKGE CCCOc1ccccc1[C@@H]1C(C#N)=C(N)Oc2c1c(CC)nn2Cc1ccc(Cl)c(Cl)c1 1865703080 MRXSZHFFNVOOEI-JOCHJYFZSA-N 483.399 5.808 50 10 JKGE Cc1ccccc1[C@@H]1C(C#N)=C(N)Oc2c1c(-c1ccccc1)nn2Cc1ccc(Cl)cc1 1865713456 ZQJDGWZOMQNOGO-HSZRJFAPSA-N 452.945 5.778 50 10 JKGE N#CSc1ccc(NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)C[C@@H](c2ccccc2)C2CC2)cc1 1866712596 RWUSAHQUYSREKK-UIOOFZCWSA-N 485.609 5.215 50 10 JKGE CC[C@@H](NC(=O)C[C@@H](c1ccccc1)c1cccc(F)c1)C(=O)Nc1ccc(SC#N)cc1 1866784335 VGRRPSDQPPVRLD-BJKOFHAPSA-N 461.562 5.454 50 10 JKGE C[C@@H](CC(=O)N[C@@H](Cc1ccccc1)C(=O)Nc1ccc(SC#N)cc1)c1cccc(Cl)c1 1867185307 SZKWMUDPFQUGID-UUOWRZLLSA-N 478.017 5.773 50 10 JKGE CC(C)(C)c1nc(Nc2ccc(SC#N)cc2)cc(N2CCC[C@@H](Oc3ccccc3)C2)n1 1868342348 SSUROXGPTXAXSC-OAQYLSRUSA-N 459.619 6.139 50 10 JKGE CCCCc1ccc(-c2csc(/C(C#N)=C(\O)[C@H]3CC(=O)N(c4c(C)cccc4CC)C3)n2)cc1 1872744957 QSVXNNOMJQWZTR-PBQGTZBKSA-N 485.653 6.869 50 10 JKGE N#C/C(=C(/O)CCCOc1ccc(Cl)cc1)c1nc(-c2ccc3c(c2)CCCC3)cs1 1872745439 NARXZWKKWPXJRQ-GYHWCHFESA-N 450.991 6.994 50 10 JKGE COc1cc(-c2csc(/C(C#N)=C(O)/C=C/c3cccc([N+](=O)[O-])c3)n2)c(OC)cc1Cl 1872754678 DIRAAXFZFYCKIX-PWHQALQLSA-N 469.906 5.895 50 10 JKGE COc1cc(OC)c(-c2csc(/C(C#N)=C(\O)c3ccc(OC)c(OC)c3)n2)cc1Cl 1872756385 JPYBBXNSEVRHLT-STZFKDTASA-N 458.923 5.448 50 10 JKGE COc1cc(C)c(-c2csc(/C(C#N)=C(\O)c3cc([N+](=O)[O-])c(C)c([N+](=O)[O-])c3)n2)cc1C 1872758165 NWCMLHXVDITIPL-PGMHBOJBSA-N 466.475 5.510 50 10 JKGE COc1cccc(/C=C(\C#N)c2nc(-c3cc(C)ccc3C)cs2)c1OCc1cccc(C)c1 1872790802 GAQVACYNXBVWKZ-BUVRLJJBSA-N 466.606 7.387 50 10 JKGE COc1cc(C)c(-c2csc(/C(C#N)=C/c3cc(Br)c(O)c(OC)c3)n2)cc1C(C)C 1872793063 GKUAHKVZEXUFJZ-FRKPEAEDSA-N 499.430 6.791 50 10 JKGE N#C/C(=C\c1ccc(OCc2ccc(Cl)cc2)cc1)c1nc(-c2ccc(F)c(F)c2)cs1 1872793065 GOWBVYCRUJXIRM-YBFXNURJSA-N 464.924 7.385 50 10 JKGE BrCc1cc(Br)cc(Br)c1OC[C@]12CCCC[C@@H]1C2 1880375628 HCITZKMQOZQLGW-IAQYHMDHSA-N 453.012 6.066 50 10 JKGE ClCC[C@@H](COCc1ccccc1)NCc1cc(Br)ccc1Br 1902915064 XNSSCMPTZPGUPI-KRWDZBQOSA-N 461.625 5.516 50 10 JKGE Fc1cc(Br)c2nc(CCl)n(C[C@@H]3CCCCN3Cc3ccccc3)c2c1 1912673364 BOHNWAYVFSJTKA-KRWDZBQOSA-N 450.783 5.731 50 10 JKGE C[C@@H]1CN(Cc2ccccc2)C[C@H]1n1c(CCCl)nc2c(Br)cc(F)cc21 1912692197 DZUJNXOMUOQEOA-AUUYWEPGSA-N 450.783 5.412 50 10 JKGE C[C@H](Cl)CN(Cc1ccccc1)C(=O)c1cc(Br)sc1Br 1914608570 BALPGFUJRFDRBN-JTQLQIEISA-N 451.611 5.543 50 10 JKGE O=C(c1csc(Br)c1Br)N1CC[C@]2(CCC[C@@H]2Br)C1 1918946288 HVAZUSAFIODWLK-TVQRCGJNSA-N 472.040 5.053 50 10 JKGE Cc1c(Br)sc([C@H](Br)CC(C)(C)C(F)(F)F)c1Br 1922932839 PMKMRZQCUGSOCE-ZCFIWIBFSA-N 472.990 6.996 50 10 JKGE CCCCC1CCC([C@@H](Br)c2sc(Br)cc2Br)CC1 1922954267 MHMYECGMOAROAD-QIMFLAQGSA-N 473.112 7.706 50 10 JKGE Cc1c(Br)sc([C@H](Br)Cc2ccc(Cl)cc2)c1Br 1922955315 YGIFRKDONAFBHA-SNVBAGLBSA-N 473.455 6.914 50 10 JKGE Clc1c(Br)sc(Br)c1[C@@H](Br)C[C@H]1CCOC1 1923050447 VJBCCLNWNHRPHF-RITPCOANSA-N 453.421 5.789 50 10 JKGE Clc1c(Br)sc(Br)c1[C@H](Br)c1ccsc1 1923068813 WRVKZKQQEVEGGL-ZCFIWIBFSA-N 451.430 6.472 50 10 JKGE C[C@@H](c1ccncc1Br)[C@@H](Br)c1cc(Cl)ccc1Br 1924039255 JZEUTAHHTMJLCM-RMLUDKJBSA-N 468.414 6.500 50 10 JKGE C[C@H]1COc2ccc([C@H](Cl)c3cc(Br)ccc3I)cc21 1925732881 APTGJTWABBSPSR-FVMDXXJSSA-N 463.540 5.878 50 10 JKGE Brc1scc([C@@H](Br)c2ccc(C3CC3)s2)c1Br 1945188922 FBUNQMUNKBKPKQ-SNVBAGLBSA-N 457.050 6.696 50 10 JKGE Cc1nc(C(=O)N(Cc2ccccc2)[C@@H](CBr)C(C)C)c(Br)s1 1980604528 GUDOARXNGVVWDM-AWEZNQCLSA-N 460.235 5.276 50 10 JKGE CN(CCN(Cc1ccccc1)c1ccc(CBr)c([N+](=O)[O-])c1)Cc1ccccc1 1987992308 GWZIIVGQVYONSO-UHFFFAOYSA-N 468.395 5.628 50 10 JKGE Clc1cccc(Br)c1[C@@H](Br)c1cc(Br)c(Cl)s1 2003557536 HCNIQFWKZJVABF-JTQLQIEISA-N 479.846 7.064 50 10 JKGE COc1ccc([C@H](Br)c2cc(Br)sc2C)c(Br)c1 2034561931 NNTXTVDEPBLAGU-ZDUSSCGKSA-N 455.009 6.074 50 10 JKGE BrCC(CBr)(Cc1cnsc1)c1ccc(Br)cc1 2036529618 IUQQYGKNWPAFAB-UHFFFAOYSA-N 454.025 5.176 50 10 JKGE Cc1cc([C@H](Br)c2cc(C)c(Br)cc2C)c(Br)s1 2039503400 PDYQEIAYLLBNQC-CYBMUJFWSA-N 453.037 6.683 50 10 JKGE Fc1ccc(I)cc1[C@H](Br)Cc1ncccc1Br 2050464267 MHDLNGBHMSZGOR-LLVKDONJSA-N 484.932 5.267 50 10 JKGE CCCN[C@@H](c1c(Br)sc(Br)c1Br)C1CC(Cl)C1 2076501575 ICJWWNJHNNEITH-HNQUHTCLSA-N 480.491 6.094 50 10 JKGE Cc1c(Br)sc([C@H](Br)[C@@H]2C[C@@H]2C2CCCC2)c1Br 2079394458 XNMIFHFYUOLXBV-CKYFFXLPSA-N 457.069 6.844 50 10 JKGE COc1ccc([C@@H](Br)Cc2ccccc2I)cc1Cl 2087563893 LIRHFSWXMYCOFQ-LBPRGKRZSA-N 451.529 5.632 50 10 JKGE Brc1ccc(CN2CC[C@H]3CC[C@H](Br)[C@H]2C3)c(Br)c1 2092265575 IFLNVLHZFHRWRD-RIEGTJTDSA-N 452.028 5.350 50 10 JKGE BrCc1ccc(N2CC[C@@H]3CCN(Cc4ccccc4)C[C@@H]3C2)cc1Br 2092525141 XAZBSZRJQGFFEY-AZUAARDMSA-N 478.272 5.692 50 10 JKGE Fc1cnccc1COc1c(Br)cc(CBr)cc1Br 2094990627 RFOIWCTWTRXWIM-UHFFFAOYSA-N 453.931 5.220 50 10 JKGE Cc1c(Br)sc([C@H](Br)[C@H]2C[C@H]2C2CCCCC2)c1Br 2135274242 TZKQDBPLFIARHY-GMXVVIOVSA-N 471.096 7.234 50 10 JKGE Cc1cc(Cl)c(Br)cc1[C@H](Br)c1c(F)cccc1Br 2137641445 DITLTLSFNYTEKQ-AWEZNQCLSA-N 471.389 6.797 50 10 JKGE Cc1cc(Br)c([C@H](Br)[C@]23CO[C@](CF)(C2)C3)cc1Br 2137893567 NDCYMAPSDYGKOD-IHRRRGAJSA-N 456.975 5.475 50 10 JKGE Cc1c(Br)ccc([C@@H](Br)C23CCC(F)(CC2)C3)c1Br 2138873471 XUTHXCUKLTZSSX-WLYUNCDWSA-N 455.003 6.628 50 10 JKGE O=C(Nc1cccc(CBr)c1)c1ccc(Br)cc1I 2142284524 DLWOLCZPZXUKSI-UHFFFAOYSA-N 494.952 5.201 50 10 JKGE Fc1ccc(CBr)c(OCc2ccc(I)c(Cl)c2)c1 2142949151 GYQNUEZBCHSETC-UHFFFAOYSA-N 455.492 5.558 50 10 JKGE C[C@@H]1CC[C@@H](C(C)(C)Cc2ccc(Br)cc2Br)[C@@H](Br)C1 2148687557 FWBHAXXIYDYIND-XFJVYGCCSA-N 467.083 6.980 50 10 JKGE C[C@H](Br)C[C@@H]1CCCCN1C(=O)c1cccc(Br)c1Br 2148771807 VLIRVICPSCGBSC-QWRGUYRKSA-N 468.027 5.380 50 10 JKGE O=C(NC[C@H]1CCC[C@H](CBr)C1)c1c(Br)cccc1Br 2150489336 BJJVINAWNXZQQS-QWRGUYRKSA-N 468.027 5.143 50 10 JKGE F[C@@H](C(F)(F)F)C(F)(F)Oc1c(Br)cc(Br)cc1CBr 2175183245 PIUFEZLAPWIVIG-QMMMGPOBSA-N 494.849 5.979 50 10 JKGE FC(F)(F)c1ccc([C@@H](Cl)c2cc(Br)c(Br)s2)c(Cl)c1 2179251419 DKASZFWPNOOQRJ-SNVBAGLBSA-N 468.947 7.274 50 10 JKGE COc1c(Br)cc(C)cc1[C@@H](Br)c1ccc(F)cc1Br 2203829007 IEJYDEMCFKOSBC-AWEZNQCLSA-N 466.970 6.152 50 10 JKGE CC(C)(C)OC(=O)NC[C@H]1C[C@@H](C(C)(C)C)CN(CCCCCI)C1 2220213092 BYESWNKRTYLYQL-IAGOWNOFSA-N 466.448 5.101 50 10 JKGE CCOCc1cc(Br)c([C@H](Cl)c2ccc(I)cc2)s1 2224797542 YTJYADUOGHDMNE-CYBMUJFWSA-N 471.585 5.980 50 10 JKGE C[C@@H]1CCC[C@H]([C@H](Br)c2cc(Br)c(Br)cc2F)CC1 2225615728 KUEMSCQRJDBHPF-FTGAXOIBSA-N 457.019 7.003 50 10 JKGE CCOc1ccc(Br)cc1[C@@H](Br)c1scc(Br)c1C 2226123455 PZCPMBGXZKXLNQ-CYBMUJFWSA-N 469.036 6.465 50 10 JKGE Fc1cc(F)c([C@H](Cl)c2csc(Br)c2Br)c(F)c1Br 2227805662 TUXRSEOIEQFHGY-SECBINFHSA-N 499.371 6.781 50 10 JKGE Clc1ccc([C@H](Cl)c2c(Br)cc(Cl)c(Cl)c2Cl)cc1Br 2232510516 HHKLZBUHODEPRY-NSHDSACASA-N 498.256 8.153 50 10 JKGE Cc1oc(C)c([C@H](Br)c2c(Br)cc(Cl)c(Cl)c2Cl)c1C 2232512043 MOEYEVBCKTZSBB-LBPRGKRZSA-N 461.408 7.412 50 10 JKGE Cc1cc(Br)c([C@H](Cl)c2cccc(C)c2I)c(C)c1Cl 2232529186 KVQBZLXAQKZYLO-OAHLLOKOSA-N 484.002 6.961 50 10 JKGE CCc1occ(C)c1[C@H](Br)c1c(Br)cc(Cl)c(Cl)c1Cl 2232529208 KZAFAXLAQHLJCS-LBPRGKRZSA-N 461.408 7.357 50 10 JKGE Fc1cc(Br)cc2c1nc(CCCl)n2[C@@H]1CCCN(Cc2ccccc2)C1 2232919991 OBUDXIKFHMVGFL-QGZVFWFLSA-N 450.783 5.556 50 10 JKGE COc1c(Cl)cc(Br)cc1[C@@H](Cl)c1sc(C)c(Br)c1C 2234465151 UCFHWZRDXPVYBG-GFCCVEGCSA-N 459.030 6.880 50 10 JKGE Fc1ccc([C@@H](Br)c2ccc([C@H]3CCOC3)s2)c(I)c1 2240425738 BZXOKYZQPPSULE-BJOHPYRUSA-N 467.141 5.480 50 10 JKGE Brc1cccc([C@@H](CI)O[C@H]2CCN(Cc3ccccc3)C2)c1 2244770421 YGZFMLQAQCVQNI-RBUKOAKNSA-N 486.191 5.216 50 10 JKGE COC1([C@H](Cl)c2c(Br)sc(Br)c2Br)CC(CF)C1 2255037927 PJODUOXYNPZMIW-GBZMYTLWSA-N 485.438 6.080 50 10 JKGE Cn1cc([C@H](Cl)Cc2cc(Br)cc(Br)c2)nc1Br 2263513487 OHVFFTBMFIOFTQ-SNVBAGLBSA-N 457.391 5.230 50 10 JKGE FC1(F)C[C@@H]([C@@H](Cl)c2c(Br)sc(Br)c2Br)C12CCC2 2266144466 YZPXOJFIYDJSII-YLWLKBPMSA-N 499.440 7.141 50 10 JKGE CCc1cc([C@H](Br)c2cc(F)c(Br)cc2Cl)sc1Br 2267757606 KRPHMUXDEJCKKL-GFCCVEGCSA-N 491.445 7.112 50 10 JKGE COc1c([C@H](Cl)c2scc(Br)c2Cl)cc(Br)c(C)c1C 2284584913 CARQYDGUQFPPFZ-NSHDSACASA-N 459.030 6.880 50 10 JKGE COc1cc(C)c(Br)c(C)c1[C@H](Br)c1cc(Cl)sc1Cl 2285089978 MKJDMDCKDRUIRK-CYBMUJFWSA-N 459.030 6.927 50 10 JKGE C[C@@H](Cl)CN(CC(C)(C)C)C(=O)c1ccc(I)c(Br)c1 2288079797 YWVSNZHEBLBHSQ-SNVBAGLBSA-N 472.592 5.169 50 10 JKGE COc1cc(C=C(C#N)C(=O)NCc2ccccc2)c(Br)cc1OCc1ccc(F)cc1 2294619873 FOOKYWUCSSRYHS-UHFFFAOYSA-N 495.348 5.399 50 10 JKGE N#CCCn1cc(C=C(C#N)C(=O)OCc2ccc(Br)cc2)c(-c2cccc(Cl)c2)n1 2297337969 MJSDGRZIRXYRJH-UHFFFAOYSA-N 495.764 5.530 50 10 JKGE CCC1(C)CC([C@H](Br)c2cc(Br)ccc2OCc2ccccc2)C1 2299529626 DVFWLCHOOVIXMX-WJAMPBCPSA-N 452.230 7.290 50 10 JKGE CC1(C)[C@@H](Br)C[C@H]1OCc1ccc(I)c(Br)c1 2306299371 PSJVWYWBOTVTRB-NWDGAFQWSA-N 473.974 5.132 50 10 JKGE COc1cc(C=C(C#N)C(=O)Nc2ccc(C)cc2)cc(Br)c1OCc1ccc(F)cc1 2313567049 BWFDRAMRRCRSIW-UHFFFAOYSA-N 495.348 6.030 50 10 JKGE N#CC(=Cc1cc(Cl)ccc1OCc1cccc(Cl)c1)C(=O)Nc1ccc(Cl)cc1 2313630502 AXAFWHKMAOTAQR-UHFFFAOYSA-N 457.744 6.771 50 10 JKGE Brc1ccc(OCc2ccccc2)c([C@@H](Br)[C@H]2Cc3ccccc32)c1 2314446080 UWJITOAKHAXZKH-UGKGYDQZSA-N 458.193 6.804 50 10 JKGE CCC[C@@H](CC(C)C)[C@H](Br)c1ccc(OCc2ccccc2)cc1Br 2314451928 ITILMDACZZIXAL-AVRDEDQJSA-N 468.273 7.927 50 10 JKGE Cc1c(Cl)sc(Cl)c1[C@H](Br)c1ccc(Br)cc1Br 2314512502 BQRMMIZSSXQYKB-SNVBAGLBSA-N 493.873 7.373 50 10 JKGE N#CC(=Cc1ccc(-c2ccc(Br)cc2)o1)C(=O)Nc1ccccc1C(F)(F)F 2314571933 OXBNARISMWJSEW-UHFFFAOYSA-N 461.237 6.274 50 10 JKGE CCOc1ccc([C@@H](Br)c2cnsc2Br)c(Br)c1 2315625715 QPWQTXALWFZGJZ-LLVKDONJSA-N 455.997 5.551 50 10 JKGE CCc1cc([C@@H](Br)c2c(Br)nc(C)n2C)sc1Br 2315632720 CZSJQMHZCTZCIB-SECBINFHSA-N 457.029 5.362 50 10 JKGE Clc1cc(I)c([C@H](Br)c2cccc3ccsc23)s1 2316607748 VGYTYDRCYNDPCB-LLVKDONJSA-N 469.594 6.705 50 10 JKGE Cc1c([C@H](Br)c2cc(Br)sc2Br)ccc(Cl)c1Cl 2317063548 FTVOIPKDQZHJGU-JTQLQIEISA-N 493.873 7.373 50 10 JKGE BrCC1(COCc2ccc(I)c(Br)c2)CCCC1 2325382432 XGPCLMVICMRHPS-UHFFFAOYSA-N 488.001 5.526 50 10 JKGE COc1cccc(C=C(C#N)c2nc3cc(C)ccc3n2C)c1OCc1ccc(Cl)c(Cl)c1 2331018541 LSLVDUMOOYTHSM-UHFFFAOYSA-N 478.379 6.840 50 10 JKGE CCCCCCCCCOc1ccc(C=C(C#N)S(=O)(=O)c2ccc(Cl)cc2)c(Cl)c1 2331030519 AOLOROZMTHQUTR-UHFFFAOYSA-N 480.457 7.461 50 10 JKGE COc1ccc(-c2csc(C(C#N)=C(O)[C@@H](CCSC)N3C(=O)c4ccccc4C3=O)n2)cc1 2331276311 HVBQOALKYURFGU-OAQYLSRUSA-N 491.594 5.029 50 10 JKGE COc1ccc(-c2csc(C(C#N)=C(O)c3ccccc3C(=O)c3ccccc3)n2)c(C)c1C 2331361371 ORFNFFMDNWYGPJ-UHFFFAOYSA-N 466.562 6.616 50 10 JKGE COc1ccc(-c2csc(C(C#N)=C(O)CCCOc3ccc(Cl)cc3)n2)c(OC)c1 2331385493 ILJSMMDOUQZVNA-UHFFFAOYSA-N 456.951 6.133 50 10 JKGE N#CC(=Cc1cc(Br)cc(Br)c1O)c1nc(-c2cccc(Cl)c2)cs1 2331440253 UXIPVBFGXLLWRL-UHFFFAOYSA-N 496.611 6.758 50 10 JKGE Cc1cc(Br)c(C)c([C@@H](Br)[C@@H]2CC[C@@H]3C[C@@H]3C2)c1Br 2332925237 BXEKTWHFCQFLSI-QHSOUUPTSA-N 451.040 6.701 50 10 JKGE Cc1c(Br)ccc([C@H](Br)[C@H]2C[C@@H]3O[C@H]2[C@H]2C[C@@H]32)c1Br 2333147536 YQQDJHCRMNHKPQ-HBCUOVCTSA-N 450.996 5.379 50 10 JKGE CC1(C)CCC[C@@H]([C@@H](Br)c2cc(Br)ccc2OCc2ccccc2)CC1 2336077111 FKUYTKYAOLRCBG-XMSQKQJNSA-N 480.284 8.071 50 10 JKGE FC1(F)C[C@]12CC[C@@H]([C@H](Br)c1ccc(OCc3ccccc3)cc1Br)C2 2336081938 WDILEJYLTBAHSE-UIAACRFSSA-N 486.194 7.290 50 10 JKGE Fc1c(Br)cc(Cl)c([C@@H](Br)[C@H]2CCCC23CC3)c1Br 2337082751 PUYBYLZEIAXPBY-HQJQHLMTSA-N 475.421 7.020 50 10 JKGE Fc1c(Br)cc(Cl)c([C@@H](Br)[C@@H]2C[C@@H]3CC[C@H]2C3)c1Br 2337090971 UCTGCTHOXATDKF-ZWADGADFSA-N 475.421 6.876 50 10 JKGE Cn1c([C@@H](Br)c2c(Cl)cc(Br)c(F)c2Br)cnc1Cl 2337098929 TYDAOTFFLLYLIZ-MRVPVSSYSA-N 495.799 5.875 50 10 JKGE CN(Cc1ccc(Cl)c(I)c1)C[C@@H](Br)C1CCCC1 2337224236 WRNWIZXXVOHDKS-CYBMUJFWSA-N 456.593 5.330 50 10 JKGE Brc1cc(OCc2ccccc2)ccc1[C@@H](Br)[C@@H]1C[C@H]2CCC[C@H]1CC2 2338745182 ULVXHNIOFATUSV-JOXJFCDYSA-N 478.268 7.681 50 10 JKGE Cl[C@H](c1c(Br)sc(Br)c1Br)[C@@H]1COC2(CCC2)CO1 2338782463 FYRUJSFGIFEMPH-RCOVLWMOSA-N 495.458 5.654 50 10 JKGE Clc1ccc(C[C@@H]2C[C@@H](Br)CC3(CCC3)C2)c(I)c1 2341027570 LRDNRWQMTOKEPC-DGCLKSJQSA-N 453.589 6.221 50 10 JKGE Clc1cc(Cl)cc(CC[C@@H](Cl)c2scc(Br)c2Br)c1 2341182535 RFEYJCSZSYGZKX-LLVKDONJSA-N 463.449 7.493 50 10 JKGE C=CC[C@]1(CBr)CCCCN1Cc1ccc(Cl)c(I)c1 2362376524 VYNRKNAZEVUUTE-MRXNPFEDSA-N 468.604 5.640 50 10 JKGE COC[C@]1([C@@H](Br)c2c(C)cc(Br)c(F)c2Br)CCCO1 2365221108 PUNBZUQSTIGYJJ-KBPBESRZSA-N 474.990 5.291 50 10 JKGE COc1ccc([C@@H]2C(C#N)=C(N)Oc3[nH]nc(C(C)(C)C)c32)cc1COc1ccccc1Cl 16322968 MOOCLBSANPTLSG-HXUWFJFHSA-N 464.953 5.166 50 10 JKGE COc1ccc2[nH]c3c(c2c1)CCN(C(=O)CCCCCCl)[C@H]3c1cccc(C(F)(F)F)c1 23445325 WECZCMYIESOSRL-DEOSSOPVSA-N 478.942 6.469 50 10 JKGE CN(C)c1ccc(/C=C(/C#N)C(=O)Nc2ncc(Cc3cc(Cl)ccc3Cl)s2)cc1 33868960 HIOQPZYZJRYHCF-SXGWCWSVSA-N 457.386 5.652 50 10 JKGE CCSc1ccc(-c2nn(-c3ccccc3)cc2/C=C(/C#N)C(=O)Nc2ccc(C)cc2)cc1 35445852 MREDTQCHHUIANZ-XLNRJJMWSA-N 464.594 6.505 50 10 JKGE COc1cc(CBr)cc(Br)c1OCc1ccc(Br)cc1F 36815530 ZSVLGVKOOSOADP-UHFFFAOYSA-N 482.969 5.833 50 10 JKGE CCCN1C(=O)C(C#N)=C(C)/C(=C\c2cn(-c3ccccc3)nc2-c2c(C)cc(C)cc2C)C1=O 38603361 PBZHETSDKUYGBA-BUVRLJJBSA-N 464.569 5.467 50 10 JKGE CC1=C(C#N)C(=O)N(C2CCCCC2)C(=O)/C1=C/c1cn(-c2ccccc2)nc1-c1cc(C)ccc1C 38608015 WAAJTCJPJPQTLS-WPWMEQJKSA-N 490.607 6.081 50 10 JKGE CC(C)(C)c1ccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)COc4ccc([N+](=O)[O-])cc4)ccc32)cc1 38649764 QDHJLILIYFSFHO-AREMUKBSSA-N 499.523 5.095 50 10 JKGE CCCCC1CCC(C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@@H]3c2ccc(SC)cc2)CC1 38700743 ILMMDVSFGOCERM-CYBGMGPVSA-N 476.642 6.529 50 10 JKGE CC(C)c1ccc(Nc2ncnc(NNC(=O)C(c3ccccc3)c3ccccc3)c2[N+](=O)[O-])cc1 40594722 LXLKYVZHYMMOGF-UHFFFAOYSA-N 482.544 5.527 50 10 JKGE O=C(NNc1ncnc(Oc2ccc(Br)cc2)c1[N+](=O)[O-])c1ccc(Cl)cc1Cl 40658843 XFPGPYVPGZHPLV-UHFFFAOYSA-N 499.108 5.003 50 10 JKGE CCCCc1ccc(NC(=O)c2oc3c(c2C)/C(=N/NC(=O)c2ccc(O)cc2)CCC3)cc1 40812017 ZWADJNCPPMEFCJ-QUPMIFSKSA-N 459.546 5.359 50 10 JKGE Cc1c(C(=O)Nc2ccccc2F)oc2c1/C(=N/NC(=O)c1ccc(-c3ccccc3)cc1)CCC2 40822573 FNTDTVJSGOWHFB-FEZSWGLMSA-N 481.527 6.117 50 10 JKGE CC(C)(C)c1ccc(C(=O)N/N=C/c2ccc(OC(=O)c3ccccc3Br)cc2)cc1 48573274 VKVWFEOYXRSTGT-JVWAILMASA-N 479.374 5.730 50 10 JKGE Cc1ccc(NC(=O)/C(C#N)=C\c2cc(Cl)c(OCc3cccc([N+](=O)[O-])c3)c(Cl)c2)cc1 59335274 XTDNZCOUKMIQHQ-NVMNQCDNSA-N 482.323 6.335 50 10 JKGE Cc1ccccc1P(c1ccccc1C)[C@@H](C)[C@H]1CCC[C@H]1P(C(C)(C)C)C(C)(C)C 60291259 KJLGULUIPNNIDJ-CLCZQPDDSA-N 454.619 8.372 50 10 JKGE C/C(=N\NC(=O)COc1ccc(Br)cc1C)C(c1ccccc1)c1ccccc1 66202600 CIMXDAPMVSVNFZ-NLRVBDNBSA-N 451.364 5.461 50 10 JKGE CCCCCCCOc1ccc(/C=C2/C(=O)N(Cc3ccc(C)cc3)C(=O)C(C#N)=C2C)cc1 101339596 FQSBPXRUMRTEEJ-NLRVBDNBSA-N 456.586 6.137 50 10 JKGE Brc1cccc(C[C@H](Br)c2csc(I)c2)c1 118884447 SZVOYRNHUNPYDZ-NSHDSACASA-N 471.983 5.794 50 10 JKGE COc1c(C)cc(Br)c(C)c1[C@H](Br)c1cc(Br)ccc1F 125719519 QTJSBUACAVHIMK-OAHLLOKOSA-N 480.997 6.460 50 10 JKGE Brc1cc([C@@H](Br)c2cc3c(s2)CCCC3)sc1Br 128262328 LGUMRQMPCFTNTQ-LBPRGKRZSA-N 471.077 6.698 50 10 JKGE Clc1cc(Br)ccc1C[C@@H](CBr)c1ccc(Br)cc1 168955825 BAMSIWIKEUYQTC-LBPRGKRZSA-N 467.426 6.586 50 10 JKGE CC[C@H](C)c1ccccc1N/C=C(/C#N)C(=O)N1CCN(C(c2ccccc2)c2ccccc2)CC1 216507591 WWJVOEYJFNSICA-FYAMCCBRSA-N 478.640 5.953 50 10 JKGE COc1cc([N+](=O)[O-])ccc1NC(=O)/C(C#N)=C\Nc1ccc(-c2nc3ccc(C)cc3s2)cc1 217231081 UKNUOFDUIKTAIF-VKAVYKQESA-N 485.525 5.647 50 10 JKGE Clc1cc2c(c([C@@H](Br)c3csc(I)c3)c1)OCC2 228453254 DLJMULXWINDAGF-LBPRGKRZSA-N 455.542 5.425 50 10 JKGE COc1cc(C=NNC(=O)c2ccc(C#N)cc2F)ccc1OCc1ccc2ccccc2c1 254623811 JQDRSCPTPFAMQE-UHFFFAOYSA-N 453.473 5.202 50 10 JKGE CC(C)(C)c1cc(C=NNC(=O)c2cc(-c3ccc4ccccc4c3)n[nH]2)cc(C(C)(C)C)c1O 254761629 SZNSKJFXZMMGQE-UHFFFAOYSA-N 468.601 6.294 50 10 JKGE CCCOc1ccc(/C=C(\NC(=O)c2ccccc2)C(=O)NN=C/C=C\c2ccccc2)cc1 254764831 XSVRLDAFKQIWSY-PDEIHEEPSA-N 453.542 5.062 50 10 JKGE CCCCCCCCCCCCCC(=O)NN=Cc1ccccc1OCc1ccc(C(=O)OC)cc1 254790938 JUXRBMKOAPFSSW-UHFFFAOYSA-N 494.676 7.203 50 10 JKGE C=CCOc1ccc(C(=O)NN=Cc2c(OC(=O)c3ccc(OCC)cc3)ccc3ccccc23)cc1 254835950 DVKICEUCDFVABV-UHFFFAOYSA-N 494.547 5.786 50 10 JKGE O=C(NN=C(CCCCl)c1ccc(F)cc1)c1cc(-c2ccc(Cl)cc2)nc2ccccc12 254873396 DBZZLSQUVCDJEP-UHFFFAOYSA-N 480.370 6.847 50 10 JKGE Cl[C@H](c1csc(I)c1)c1cc2c(cc1Br)OCC2 308408903 AIKPVITYAJGECX-CYBMUJFWSA-N 455.542 5.378 50 10 JKGE Cc1cc(Br)c([C@@H](Cl)c2cc(Cl)c(Br)cc2F)cc1Cl 383662498 QXOFGNBXCDCTJQ-CQSZACIVSA-N 461.383 7.294 50 10 JKGE C[C@H](Cl)c1nc2cc(Br)c(F)cc2n1[C@H]1CN(Cc2ccccc2)C[C@H]1C 389875341 TUZCJAFRZPVSRQ-CKNLXJGOSA-N 450.783 5.931 50 10 JKGE ClCc1nc2cc(I)ccc2n1C[C@H]1CCCN1Cc1ccccc1 390685285 ZRNDORUNJQVECA-QGZVFWFLSA-N 465.766 5.044 50 10 JKGE COc1cc([C@H](Br)c2ncsc2Br)c(OC)cc1Br 705137057 BBYAOYKEAYTFCW-JTQLQIEISA-N 471.996 5.170 50 10 JKGE O=C(NN=Cc1cc(Br)ccc1OCc1ccccc1F)c1cc2ccccc2o1 1084071518 OQHHXKINHOYEIZ-UHFFFAOYSA-N 467.294 5.677 50 10 JKGE CC(C)Cc1ccc([C@@H](C)C(=O)NN=C2C(=O)N(Cc3cccc4ccccc34)c3ccccc32)cc1 1084374530 AXASQEUPSWQOLH-JOCHJYFZSA-N 489.619 6.209 50 10 JKGE C=CCc1cc(/C=C(\C#N)C(=O)Nc2ccc(C)cc2)cc(OC)c1OCc1cccc(C)c1 1084442242 ILHUVRRKYMNEHA-PCLIKHOPSA-N 452.554 6.165 50 10 JKGE Cc1ccc(C)c(NC(=O)/C(C#N)=C\c2cc(Br)ccc2OCc2ccccc2Cl)c1 1084655887 ABMONHVKLBETPU-NDENLUEZSA-N 495.804 6.844 50 10 JKGE Cc1c(C(=O)NCc2ccccn2)oc2c1C(=NNC(=O)c1ccc(-c3ccccc3)cc1)CCC2 1772748508 YXEMMBQLVWUHCH-UHFFFAOYSA-N 478.552 5.050 50 10 JKGE COc1cc(C=NNC(=O)COc2cccc3ccccc23)ccc1OCc1ccccc1Cl 1772754847 YKCYFNNDDIQWBA-UHFFFAOYSA-N 474.944 5.610 50 10 JKGE FC(F)(F)c1ccc(-c2c(Cl)c(Cl)c(Cl)c(Cl)c2Cl)cc1CBr 1848369050 CBXTUMUXAZPLTK-UHFFFAOYSA-N 487.357 8.534 50 10 JKGE CC[C@@H](Br)C(=O)N1CCC2(C=Cc3ccc(OCc4ccccc4)cc3O2)CC1 1859495249 CAXSBIDBXSEKIF-OAQYLSRUSA-N 456.380 5.206 50 10 JKGE CCCCOc1ccc([C@@H]2C(C#N)=C(N)Oc3c2c(C(F)(F)F)nn3-c2ccccn2)cc1OCC 1865687371 PTSFOAVCKNOSCN-HXUWFJFHSA-N 499.493 5.082 50 10 JKGE CCCOc1cccc([C@H]2C(C#N)=C(N)Oc3c2c(-c2ccccc2)nn3Cc2ccccc2Cl)c1 1865692969 GWEQHMWXEQMWLX-VWLOTQADSA-N 496.998 6.259 50 10 JKGE CCn1nc(C(F)(F)F)c2c1OC(N)=C(C#N)[C@@H]2c1ccc(OCc2ccc(Cl)cc2)cc1 1865695508 PCZSEYMVFVUDHY-SFHVURJKSA-N 474.870 5.372 50 10 JKGE N#CC1=C(N)Oc2c(c(-c3ccccc3)nn2-c2ccc(Cl)cc2)[C@H]1c1cccc([N+](=O)[O-])c1 1865706414 WFZJXVFQJBQFKH-NRFANRHFSA-N 469.888 5.319 50 10 JKGE CCc1nn(Cc2ccc(F)cc2)c2c1[C@H](c1cccc(OCc3ccccc3)c1)C(C#N)=C(N)O2 1865711860 JODNKSVGESCKDT-AREMUKBSSA-N 480.543 5.430 50 10 JKGE Cc1nc(-c2ccc(Cl)cc2Cl)ccc1C(=O)NNC(=O)/C=C/c1ccc(Cl)cc1 1865759727 PGBTXQFVZHCNHY-NYYWCZLTSA-N 460.748 5.492 50 10 JKGE CC[C@H](NC(=O)[C@H](CC(C)C)c1cccc(Br)c1)C(=O)Nc1ccc(SC#N)cc1 1867213514 QQSKUARDLKBNEV-RTWAWAEBSA-N 488.451 5.685 50 10 JKGE COc1ccc(C(C)(C)C)cc1-c1csc(/C(C#N)=C(O)/C=C/c2ccc([N+](=O)[O-])cc2)n1 1872751501 KUHJSLMNUFQRER-PVTSUSJYSA-N 461.543 6.530 50 10 JKGE CC(C)(C)c1ccc(C(=O)NC/C(O)=C(\C#N)c2nc(-c3ccc(F)c(F)c3)cs2)cc1 1872751658 RBWGSGCSLUXHCE-FXBPSFAMSA-N 453.514 5.608 50 10 JKGE CCOc1cc(/C(O)=C(\C#N)c2nc(-c3ccc(OC)c(C)c3C)cs2)cc(OCC)c1OCC 1872753938 VJKJJPFMHALCRK-QQTULTPQSA-N 494.613 6.582 50 10 JKGE COc1cc(OC)cc(/C(O)=C(\C#N)c2nc(-c3cc(Cl)cc(Cl)c3OC)cs2)c1 1872754451 SUXJLNAOBZTEPJ-MNDPQUGUSA-N 463.342 6.093 50 10 JKGE COc1cccc(/C=C(\C#N)c2nc(-c3ccc(C)c(C)c3)cs2)c1OCc1cccc(C)c1 1872793677 MXCPHNDNEHHUJA-MFKUBSTISA-N 466.606 7.387 50 10 JKGE CCCCC1CCC(/C(O)=C(\C#N)c2nc(-c3ccc(OCCC)c(OCCC)c3)cs2)CC1 1872818165 POJLFAZLPXKNBM-VYIQYICTSA-N 482.690 8.177 50 10 JKGE COc1ccc(OC)c(-c2csc(/C(C#N)=C(\O)COc3ccc(Cl)cc3Cl)n2)c1 1873920895 MCBWDCKTJQUCMW-SDXDJHTJSA-N 463.342 6.006 50 10 JKGE C[C@H](c1ccc(CNC(=O)OC(C)(C)C)cc1)[C@H](CBr)NC(=O)OC(C)(C)C 1887136330 UNNJRAYVYVSYPP-PBHICJAKSA-N 457.409 5.103 50 10 JKGE CC(C)[C@@H](CBr)N(Cc1ccccc1)C(=O)c1cc(Br)cc([N+](=O)[O-])c1 1915269324 AENIIKCQZWNQPF-GOSISDBHSA-N 484.188 5.419 50 10 JKGE CN(Cc1cccc(Cl)c1Br)C[C@H](Br)COCc1ccccc1 1916395570 UASIKWPDWPAYMF-INIZCTEOSA-N 461.625 5.515 50 10 JKGE Fc1cc(Cl)cc([C@@H](Br)c2cc(I)cc3c2OCC3)c1 1918788487 WQZKIIDDFAGFJT-CQSZACIVSA-N 467.503 5.503 50 10 JKGE Fc1ccc([C@@H](Br)c2c(Br)sc(Br)c2Cl)c(F)c1F 1923068093 MVGSFYBWVONFFZ-ZCFIWIBFSA-N 499.371 6.828 50 10 JKGE CC1(C)C2CCC1([C@H](Br)c1c(Br)sc(Br)c1Cl)CC2 1923070438 ALNXKDPLGXMSAP-MAOXSZOYSA-N 491.514 7.579 50 10 JKGE C[C@H](c1ccncc1Br)[C@H](Br)c1ccc(F)cc1I 1924038816 HQJBLYGKLWKNQU-CLAHSXSESA-N 498.959 5.828 50 10 JKGE C[C@H](C1CCCCC1)[C@H](Cl)c1c(Br)sc(Br)c1Br 1924568672 JZZUYQRWLBSELS-HQJQHLMTSA-N 479.503 7.532 50 10 JKGE CC(C)(C)CC[C@@H](Br)c1c(Br)sc(Br)c1Br 1924580812 UXCZFDKPKNFIIE-ZCFIWIBFSA-N 497.916 7.298 50 10 JKGE Fc1cc(F)c([C@H](Cl)c2c(Br)sc(Br)c2Br)c(F)c1 1924601293 WNKJWNPDBJRGGD-VIFPVBQESA-N 499.371 6.781 50 10 JKGE Cl[C@H](c1c(Br)sc(Br)c1Br)[C@]12COC[C@@H]1C2 1924608163 DXIRELFHYMXNNN-WOJODOKISA-N 451.405 5.352 50 10 JKGE Clc1cc([C@@H](Br)c2csnc2Br)sc1Br 1925226482 VBIRFAOUAZOQFK-LURJTMIESA-N 452.418 5.867 50 10 JKGE Cc1cc([C@H](Br)c2c(Cl)sc(Br)c2Cl)sc1Br 1925571193 PAFLOZKMIPULNG-LURJTMIESA-N 499.902 7.434 50 10 JKGE Brc1csc([C@@H](Br)c2cc(Br)c(Br)s2)c1 1961680724 UUPFEXRMCQRRND-MRVPVSSYSA-N 495.881 6.581 50 10 JKGE Brc1ccc(I)c([C@H](Br)Cc2nccs2)c1 1995156353 VREYAJOBRWBQLN-SECBINFHSA-N 472.971 5.189 50 10 JKGE Brc1scc([C@@H](Br)c2ccc3c(c2)COC3)c1Br 2032958436 DGHBPYBMGUHBFD-NSHDSACASA-N 452.993 5.788 50 10 JKGE Cc1csc([C@H](Br)c2ccc(C)c(Br)c2C)c1Br 2039331703 CMHPIHZFNKZSCX-CYBMUJFWSA-N 453.037 6.683 50 10 JKGE Brc1cc([C@@H](Br)c2cc3ncccc3s2)c(Br)s1 2046389583 AOVBXFPUCLGPHF-LLVKDONJSA-N 468.033 6.367 50 10 JKGE Fc1cc(F)c([C@H](Br)c2sc(Br)cc2Br)cc1Cl 2058878237 DGRIUUWORPQCIO-JTQLQIEISA-N 481.381 6.689 50 10 JKGE CCCCCc1ccc([C@H](Br)c2sccc2I)s1 2076628285 PLBNHRUKSPIDLJ-ZDUSSCGKSA-N 455.224 6.631 50 10 JKGE CCc1ccccc1Cn1nc(CBr)c(I)c1C(F)(F)F 2079242843 GIWQZZRHMXYRAP-UHFFFAOYSA-N 473.074 5.012 50 10 JKGE COc1cc(F)c([C@H](Br)c2csc(Br)c2Br)c(F)c1 2093941897 FKZQGGAKKHKKCX-SNVBAGLBSA-N 476.962 6.044 50 10 JKGE Cc1csnc1CC(CBr)(CBr)c1ccccc1Br 2097000662 CTENFTZQDWJTFK-UHFFFAOYSA-N 468.052 5.484 50 10 JKGE Fc1cc(Br)cc([C@H](Br)c2cc(Br)c(Cl)cc2F)c1 2097834048 HZLOEGACDRGTJO-ZDUSSCGKSA-N 475.352 6.628 50 10 JKGE Fc1cc(Cl)c(Br)cc1[C@@H](Br)c1c(F)cccc1Br 2097834963 OZNARMWYZDVKGE-CYBMUJFWSA-N 475.352 6.628 50 10 JKGE CC(C)CN1C[C@@H](Br)[C@@H](Cc2cccc(Br)c2Br)C1 2100720793 FKIUUEQXLJKVLO-GXTWGEPZSA-N 454.044 5.105 50 10 JKGE BrC[C@@H]1C[C@H]2CCC[C@H]2N1Cc1cccc(Br)c1Br 2108391990 ODZOZLYDNFRVQG-SCDSUCTJSA-N 452.028 5.350 50 10 JKGE O=C(c1cc(Br)c(Br)s1)N1[C@H](CBr)C[C@H]2CCC[C@@H]21 2108392313 RAZDPQKXXVSTOK-WEDXCCLWSA-N 472.040 5.051 50 10 JKGE Brc1cc(Br)c([C@H](Br)Cc2ccc3c(c2)CCO3)s1 2112347696 YOMVOJRNFXMDAK-SNVBAGLBSA-N 467.020 5.887 50 10 JKGE ClCc1nc2cc(Cl)c(Br)cc2n1[C@]12C[C@@H]1CN(Cc1ccccc1)C2 2112702013 QZGLTEZSTBJLEB-VLIAUNLRSA-N 451.195 5.422 50 10 JKGE C[C@H](Cl)c1nc2cc(Cl)c(Br)cc2n1[C@H]1CC[C@H]1OCc1ccccc1 2112702081 RPKPLXQUOKKJAS-OYYNGEPBSA-N 454.195 6.672 50 10 JKGE CCc1nc([C@@H](Br)c2sc(COC)cc2Br)c(Br)s1 2113185566 RLLHKYANSLRXQI-SECBINFHSA-N 490.080 5.923 50 10 JKGE C[C@H](c1ccncc1Br)[C@@H](Cl)c1cc(I)ccc1F 2113348195 GLMOUKXGFANFOC-XLKFXECMSA-N 454.508 5.671 50 10 JKGE Cc1ccc(CBr)cc1S(=O)(=O)N(CCC(F)(F)F)Cc1ccccc1 2123199721 WNZQZXFRIXTWCO-UHFFFAOYSA-N 450.320 5.033 50 10 JKGE BrC[C@H]1C[C@@H]2CC[C@H](C1)N2Cc1cccc(Br)c1Br 2128151150 CJAQAIBAXFNHCL-UOJUARBOSA-N 452.028 5.350 50 10 JKGE CC(C)(C)OC(=O)N1CCC[C@](CI)(OC[C@@H]2C[C@@H]2c2ccccc2)C1 2135979017 FQBFCYPPPVNPJK-WAOWUJCRSA-N 471.379 5.011 50 10 JKGE Cc1cc(Br)c(C)c([C@H](Br)C(F)(F)CC2CC2)c1Br 2136374841 POBXOFZXURFDME-ZDUSSCGKSA-N 460.982 6.700 50 10 JKGE C[C@H](Cl)c1nc2cc(Cl)c(Br)cc2n1[C@@]12C[C@H]1CN(Cc1ccccc1)C2 2169016533 BHGQGWZIKNWIJY-XLDJFRKUSA-N 465.222 5.983 50 10 JKGE CCc1cc([C@H](Br)c2cc(Br)ccc2Br)c(F)cc1F 2175372551 AIUNPNLWLFDWLI-OAHLLOKOSA-N 468.961 6.537 50 10 JKGE CCc1ccc(CBr)cc1S(=O)(=O)N(Cc1ccccc1)CC1CCCC1 2179862111 RFUBYVIMWUJXLM-UHFFFAOYSA-N 450.442 5.525 50 10 JKGE CCn1cc(Br)c(C[C@H](CBr)Cc2ccccc2Br)n1 2181153994 HRLUEVWIYJXMFQ-LLVKDONJSA-N 465.027 5.224 50 10 JKGE CC(F)(F)c1ccc([C@@H](Br)c2c(Cl)sc(Br)c2Cl)cc1 2184813850 BJXOOMKBCVVYPS-SECBINFHSA-N 464.984 7.413 50 10 JKGE O=C(NC12CCC(CBr)(CC1)C2)c1ccc(Br)cc1Br 2189332369 XCGDNTABBKHYLA-UHFFFAOYSA-N 466.011 5.039 50 10 JKGE C[C@@]12CC[C@@](COc3c(Br)cc(Br)cc3CBr)(C1)OC2 2193702822 FUGGHLKTWCOGNP-CABCVRRESA-N 469.011 5.445 50 10 JKGE COc1c(Cl)cc(Br)cc1[C@@H](Br)c1ccc(Cl)cc1Cl 2203005419 WHDBKZIXJHPVHW-ZDUSSCGKSA-N 459.392 6.902 50 10 JKGE COc1ccc(C)cc1[C@@H](Br)c1ccc(Br)c(C)c1Br 2203685240 JQKAWSSPVXHOFM-INIZCTEOSA-N 463.007 6.321 50 10 JKGE O=C(c1csc(Br)c1Br)N1CC[C@@H]2CC[C@@H](Br)C[C@@H]2C1 2204107863 VSPRSAXADFQUPB-IVZWLZJFSA-N 486.067 5.299 50 10 JKGE FC1(F)CCC[C@@H](O[C@H](CI)c2cccc(Br)c2)CC1 2207036875 FOQCIXLLWGWOCX-ZIAGYGMSSA-N 459.112 5.910 50 10 JKGE Cc1oc(Br)cc1[C@H](Br)Cc1ccc(Br)cc1Cl 2221700978 YVZRRUVWBAWIMG-LLVKDONJSA-N 457.387 6.445 50 10 JKGE C[C@@H]1C[C@@H]2C[C@@H]2C[C@H]1[C@H](Br)c1cc(Br)c(Br)cc1F 2225634062 MYHDYBVWPCQHND-ZHKSUTFFSA-N 455.003 6.469 50 10 JKGE C[C@@H]1CCC[C@@H](COc2c(Br)cc(CBr)cc2Br)O1 2226837124 CTNRJJUNAZZYBX-KOLCDFICSA-N 457.000 5.443 50 10 JKGE FC(F)CC1([C@H](Br)c2c(Br)cc(Cl)c(Cl)c2Cl)CCC1 2232527236 CLXTZXNCTBUOFW-GFCCVEGCSA-N 471.394 7.671 50 10 JKGE Cc1cc(Br)c(C)c([C@@H](Br)[C@@H]2CCCC(C)(C)O2)c1Br 2235157636 ALTONNMHVAXDEX-WFASDCNBSA-N 469.055 6.612 50 10 JKGE Cc1cc(Br)c([C@H](Br)C23CC(C)(C2)O[C@H]3C)c(C)c1Br 2235603970 DDQYDKUJVJJFSF-VJUFWYBQSA-N 467.039 6.222 50 10 JKGE CO[C@@H]1CCC[C@H]([C@H](Br)c2c(Br)cc(C)c(Br)c2C)C1 2235608883 MBKSIDLSGODSIM-OZVIIMIRSA-N 469.055 6.470 50 10 JKGE Cc1cc(Br)c([C@H](Br)[C@H]2CCCC3(CC3)C2)c(C)c1Br 2235613590 ZCTOQWXXFULVGM-BLLLJJGKSA-N 465.067 7.235 50 10 JKGE Fc1cc(F)c([C@H](Br)c2c(Cl)cccc2Br)c(F)c1Br 2236113151 ZHXGJTJEYMMPKS-GFCCVEGCSA-N 493.342 6.767 50 10 JKGE Cc1sc([C@@H](Br)c2cc(Br)c3c(c2)CCO3)c(Br)c1C 2237630224 SLCBJBKBZFRKRJ-ZDUSSCGKSA-N 481.047 6.309 50 10 JKGE Fc1ccc([C@@H](Br)c2ccc3c(c2Br)CCO3)cc1Br 2238080875 BBBRYNRALPHINY-CQSZACIVSA-N 464.954 5.770 50 10 JKGE FC(F)(F)Oc1ccc(Cl)cc1[C@@H](Cl)c1cc(I)sn1 2239615002 XOWXGPRSDUKRDV-SNVBAGLBSA-N 454.038 5.628 50 10 JKGE Brc1cccc([C@@H](CI)O[C@H]2CCN(Cc3ccccc3)C2)c1 2244803290 YGZFMLQAQCVQNI-RBUKOAKNSA-N 486.191 5.216 50 10 JKGE Fc1cc(Br)c(F)c(Br)c1[C@H](Br)[C@H](F)C(F)(F)F 2259996432 WOVODMRFDOQJNF-XPUUQOCRSA-N 464.823 5.826 50 10 JKGE Cn1cc([C@@H](Br)c2cc3sc(Br)cc3s2)nc1Br 2263557756 BUGNNJLRECUIFO-SNVBAGLBSA-N 471.037 5.706 50 10 JKGE CCCCc1ccc([C@@H](Br)c2ccc(F)cc2I)s1 2264364958 OHICDAMSEZBQEG-HNNXBMFYSA-N 453.158 6.319 50 10 JKGE COc1ccc([C@H](Cl)c2ccc(Br)c(C)c2)cc1I 2269548367 WEVDHQHTGXEVRQ-OAHLLOKOSA-N 451.529 5.699 50 10 JKGE Cc1cc(F)c(Br)cc1[C@H](Br)Cc1ncccc1Br 2270439737 WSGANWUCKYFCGN-LLVKDONJSA-N 451.959 5.733 50 10 JKGE COCc1ncc2nc([C@@H](C)Cl)n(CCCN(Cc3ccccc3)Cc3ccccc3)c2n1 2271082506 OMOKZULWVVHQER-HXUWFJFHSA-N 464.013 5.365 50 10 JKGE CCOC1CC([C@H](Br)c2c(F)cc(Br)c(F)c2Br)C1 2272747421 JZVUMWFEODERDP-OGIFLDNPSA-N 462.954 5.741 50 10 JKGE Cc1cc(Br)c(C)c([C@H](Br)[C@H]2CCC(F)(F)C2)c1Br 2277726365 AHXZUJIJNHZQEB-TVQRCGJNSA-N 460.982 6.700 50 10 JKGE Cc1cc(Br)c([C@@H](Br)[C@@H]2CC(F)(F)C23CCC3)cc1Br 2280865214 PBJWFHJOEMWLDS-GXFFZTMASA-N 472.993 6.782 50 10 JKGE N#CC(=Cc1cccn1-c1ccc(Br)cc1)C(=O)Nc1ccc(Cl)cc1Cl 2294171899 IFGCRUIWENTJOO-UHFFFAOYSA-N 461.146 6.092 50 10 JKGE Cc1cc([C@@H](Br)Cc2cc(Br)cc(Br)c2)c(F)cc1F 2295275335 UETQCKAVGAQMSU-ZDUSSCGKSA-N 468.961 6.477 50 10 JKGE Brc1cc(Br)cc(C[C@H](Br)[C@H]2C[C@@H]2c2ccccc2)c1 2295331549 KTVRODLUSBGAHY-IKGGRYGDSA-N 459.019 6.321 50 10 JKGE COc1ccc(C=C(C#N)C(=O)Nc2cccc3ccccc23)cc1COc1ccc(C(C)(C)C)cc1 2295672302 LPNHOUDHRFXIPB-UHFFFAOYSA-N 490.603 7.271 50 10 JKGE Clc1cccc(COc2c(Cl)cc(CBr)cc2Cl)c1Br 2296310360 IXQVFONKKQXBLN-UHFFFAOYSA-N 459.392 6.883 50 10 JKGE CCCCOC(=O)c1ccc(-c2ccc(C=C(C#N)C(=O)Nc3c(C)cc(C)cc3C)o2)cc1 2296819080 RTLSAFGJGNYUMZ-UHFFFAOYSA-N 456.542 6.374 50 10 JKGE O=C(NC(=CN1CCCCC1)[P+](c1ccccc1)(c1ccccc1)c1ccccc1)c1ccccc1 2297312544 QUYACFNEPBZCQL-UHFFFAOYSA-O 491.595 5.695 50 10 JKGE COC[C@]1(C)C[C@@H]1[C@@H](Br)c1ccc(OCc2ccccc2)cc1Br 2299524825 HYQIUMSWUFGICP-HOJAQTOUSA-N 454.202 6.137 50 10 JKGE Cc1c(Cl)sc(Cl)c1[C@@H](Br)c1cnn(C)c1I 2299542926 OACJWSOTYJNRIE-ZETCQYMHSA-N 465.969 5.186 50 10 JKGE C=CCc1cc(C=C(C#N)C(=O)Nc2ccc(C)cc2)cc(OC)c1OCc1ccccc1Cl 2313566993 AIDCFOORELHIJH-UHFFFAOYSA-N 472.972 6.510 50 10 JKGE N#CC(=Cc1cc(Cl)c(OCc2ccccc2)c(Cl)c1)C(=O)N1CCN(c2ccccc2)CC1 2313567782 ONDMRUAAPFRBLK-UHFFFAOYSA-N 492.406 5.828 50 10 JKGE COc1ccccc1Oc1nc2c(C)cccn2c(=O)c1C=C(C#N)c1nc2ccccc2s1 2314436808 IAOYLDDCXQFFBT-UHFFFAOYSA-N 466.522 5.478 50 10 JKGE O=[N+]([O-])c1ccc([C@@H](Br)c2cc(Br)ccc2OCc2ccccc2)o1 2314487571 HIJKAFDWAZKVHW-SFHVURJKSA-N 467.113 6.014 50 10 JKGE FC1(F)CCC[C@@H]1C[C@H](Br)c1ccc(OCc2ccccc2)cc1Br 2314504132 ZSXMBUXFJILGFQ-QAPCUYQASA-N 474.183 7.290 50 10 JKGE CCCOc1cccc(-c2nn(-c3ccccc3)cc2C=C2C(=O)N([C@@H](C)CC)C(=O)C(C#N)=C2C)c1 2314610501 IWGJRVSCFHAHFO-FQEVSTJZSA-N 494.595 5.719 50 10 JKGE CC(C)(C)c1ccc(C=CC(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@@H]3c2ccc(Cl)cc2)cc1 2314634189 YHIUJTFLRXDHAS-HHHXNRCGSA-N 484.983 6.474 50 10 JKGE COc1cccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)C=Cc4ccc(Cl)cc4)ccc32)c1OC 2314634521 DQIRKBPKBITGST-RUZDIDTESA-N 488.927 5.194 50 10 JKGE Cc1cc(Br)c([C@H](Cl)c2csc(C)c2Br)cc1Br 2320497031 GPWQQIAQIGXZKY-ZDUSSCGKSA-N 473.455 6.981 50 10 JKGE COc1ccc(C(C#N)=Cc2cccc(OC(=O)c3cc(OC)c(OC)c(OC)c3)c2)cc1OC 2320511143 LBBFAIKLZIEDAX-UHFFFAOYSA-N 475.497 5.013 50 10 JKGE C[C@@H](c1ccncc1F)[C@@H](Br)c1scc(Br)c1Br 2321455952 OVMRRZJZSOGRKS-QUBYGPBYSA-N 457.988 6.047 50 10 JKGE Cc1cc(=O)oc2cc(OCC(=O)NN=Cc3c(OCc4ccccc4)ccc4ccccc34)ccc12 2328804077 AVSYHAQXVQYGOL-UHFFFAOYSA-N 492.531 5.363 50 10 JKGE CCc1cccc(CC)c1N1C[C@H](C(O)=C(C#N)c2nc(-c3ccc(C)cc3C)cs2)CC1=O 2331310736 CJAKXTQHCRSEGB-OAQYLSRUSA-N 471.626 6.398 50 10 JKGE COc1ccc(C)cc1-c1csc(C(C#N)=C(O)[C@H](C)Oc2ccc(Cl)cc2Cl)n1 2331324321 JSOFCTKIQCELOV-ZDUSSCGKSA-N 461.370 6.694 50 10 JKGE CC(C)C[C@H](C(O)=C(C#N)c1nc(-c2cccc3ccccc23)cs1)N1C(=O)c2ccccc2C1=O 2331339183 NSDVWNJQLYCTCZ-RUZDIDTESA-N 493.588 6.467 50 10 JKGE Cc1cc(Br)c(C)c([C@@H](Br)C[C@@]23CCC[C@@H]2C3)c1Br 2332925609 MXUWICKCPGNBMG-FFSVYQOJSA-N 451.040 6.845 50 10 JKGE CC12CC([C@@H](Br)c3c(Cl)cc(Br)c(F)c3Br)(CO1)C2 2337093422 DXTDNSGSMAUEMB-HIFPTAJRSA-N 477.393 6.009 50 10 JKGE COc1ccsc1[C@H](Br)c1c(C)cc(Br)c(F)c1Br 2339648265 JNKNVXMVMMKERX-LLVKDONJSA-N 472.999 6.214 50 10 JKGE CC(C)(C)OC(=O)N1CCC[C@](CBr)(OCc2cc(F)c(Cl)cc2Cl)C1 2349883386 AJPQPTWVOXUWDH-GOSISDBHSA-N 471.194 5.814 50 10 JKGE Cc1cc(Br)c(F)c(Br)c1[C@@H](Cl)c1cccc(Br)c1C 2365187489 AUUGKYFKSNQJJP-AWEZNQCLSA-N 485.416 7.058 50 10 JKGE COc1cc(Cl)c(CBr)c(N(C)[C@H]2CC(C)(C)[C@H]2OCc2ccccc2)c1 2365808318 RTYLNLSRLISHKE-SFTDATJTSA-N 452.820 6.064 50 10 JKGE C[C@H]1C[C@H]2C[C@]([C@@H](Br)c3c(F)cc(Br)c(F)c3Br)(C2)O1 2368522024 XGVMSMOKEMXLIR-ZUVKVVCWSA-N 474.965 5.883 50 10 JKGE CC1(C)CC(CBr)(CN2CC[C@H](NC(=O)OC(C)(C)C)C[C@@H]2C(F)(F)F)C1 2371131728 RAKOAKREKKTRET-UONOGXRCSA-N 457.375 5.108 50 10 JKGE Fc1ccc(C[C@@H](CCl)Cc2ccc(I)c(Br)c2)cc1 2377355087 ZTOJMZCIMTXWHK-CYBMUJFWSA-N 467.547 5.833 50 10 JKGE COc1cc(/C=N/NC(=O)c2ccc(NC(=O)c3ccc(C(C)(C)C)cc3)cc2)cc(OC)c1OC 12491723 OIWNIBUFYMADAN-STBIYBPSSA-N 489.572 5.026 50 10 JKGE N#C/C(=C/c1ccc(-c2ccc(Cl)c(Cl)c2)o1)C(=O)NCCc1c[nH]c2ccccc12 33304954 DNSHKCVHIZAZRT-BOPFTXTBSA-N 450.325 6.001 50 10 JKGE N#CC1=C(N)Oc2cc(OC(=O)COc3ccc(Cl)cc3Cl)ccc2[C@@H]1c1cccs1 38656262 SEIUVFSYUPWPDU-NRFANRHFSA-N 473.337 5.257 50 10 JKGE N#CC1=C(N)Oc2cc(OC(=O)COc3ccccc3Cl)ccc2[C@H]1c1cccc2ccccc12 38657787 KTNJCEATHSMZIJ-HHHXNRCGSA-N 482.923 5.696 50 10 JKGE Cc1cc(C)cc(Oc2nc3ccccn3c(=O)c2/C=C(/C#N)C(=O)Nc2ccccc2Cl)c1 39858774 HCMPQOSSYDZTCS-JXAWBTAJSA-N 470.916 5.303 50 10 JKGE Cc1ccc(C)c(NC(=O)c2oc3c(c2C)/C(=N/NC(=O)c2ccccc2Br)CCC3)c1 40812866 OZEPGVVMQMFPDK-TURZUDJPSA-N 494.389 5.690 50 10 JKGE O=C(CSCc1ccc(Cl)cc1)N/N=C/c1ccccc1OCc1ccc(C(=O)O)cc1 59165821 GVDIZEVVNVHAJI-LGJNPRDNSA-N 468.962 5.001 50 10 JKGE O=C(N/N=C/c1cc(Br)ccc1OCc1ccccc1Cl)c1cc2ccccc2o1 59679978 OZINHZPKWJHQQE-LGJNPRDNSA-N 483.749 6.192 50 10 JKGE CCc1nn(C)c(C[C@H](CBr)Cc2ccc(Br)cc2)c1Br 97183348 KXOOJKFJNZOZTD-GFCCVEGCSA-N 479.054 5.304 50 10 JKGE COc1ccc(CN2C(=O)C(C#N)=C(C)/C(=C\c3ccc(-c4ccc(Cl)c(Cl)c4)o3)C2=O)cc1 101340002 XIEJSDWGCKTAAA-UDWIEESQSA-N 493.346 6.054 50 10 JKGE Cc1ccc(-c2csc(/C(C#N)=C(/O)c3ccc(-c4cccc(C(F)(F)F)c4)o3)n2)cc1 110516108 BEGVGSFQSHSMME-RELWKKBWSA-N 452.457 7.347 50 10 JKGE Clc1ccc(CC(CBr)(CBr)c2cccc(Br)c2)s1 118671924 YBLFRJCLYREXJC-UHFFFAOYSA-N 487.482 6.434 50 10 JKGE Cc1nn(C)c(CC(CBr)(CBr)Cc2ccccc2)c1Br 118875819 RYQGAOBLMSHQGT-UHFFFAOYSA-N 479.054 5.052 50 10 JKGE COc1ccc([C@@H](Br)c2cc(Br)c(Br)s2)c(C)c1 128860335 WLWWDBDZJNVVKU-GFCCVEGCSA-N 455.009 6.074 50 10 JKGE CCCCOc1cccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)/C=C\c4ccc(OC)cc4)ccc32)c1 205660330 CZJMZDUJTBIJNX-WOGJUPMISA-N 496.563 5.711 50 10 JKGE CCCCOc1ccc(/C=C(/C#N)C(=O)Nc2ccc(-c3nc4ccc(C)cc4s3)cc2)cc1 206270149 TYPVQVJAILWSHD-XLNRJJMWSA-N 467.594 6.996 50 10 JKGE CCC(CC)[C@H](Br)CNC(=O)c1cc(Br)c(Br)s1 230657437 MZCGEHIYZWXMHQ-SECBINFHSA-N 462.045 5.203 50 10 JKGE Fc1cc(Cl)c([C@@H](Br)c2cc(Br)ccc2Br)cc1F 231306331 LFUWVGNDXVNJQP-ZDUSSCGKSA-N 475.352 6.628 50 10 JKGE Brc1cc([C@H](Br)c2cc(Br)sc2Br)cs1 232483710 YVGZHHZCMPOSTH-QMMMGPOBSA-N 495.881 6.581 50 10 JKGE CCOc1ccc([C@H](Cl)c2ccc(Br)cc2Br)c(Br)c1 233802493 YUGDFGCCWZILQE-OAHLLOKOSA-N 483.425 6.701 50 10 JKGE Cc1cc([C@@H](Cl)c2cc(Br)ccc2I)c(C)cc1F 386474199 VGVNGPHUGHOJAY-OAHLLOKOSA-N 453.520 6.138 50 10 JKGE CC(C)(C)[Si](C)(C)OCCN1CCCOC[C@H]1c1ccc(CO[Si](C)(C)C(C)(C)C)cc1 616646173 UCOSHCSIQJLGGM-DEOSSOPVSA-N 479.854 6.994 50 10 JKGE Cl[C@H](c1ccc(I)cc1)c1cc(Br)c2c(c1)CCCO2 689608831 DQJGDVXVZPVWIX-OAHLLOKOSA-N 463.540 5.707 50 10 JKGE C[C@H](Cl)c1nc2cc(Br)c(F)cc2n1CC(C)(C)N(C)Cc1ccccc1 714232805 GBSWBOJLICSVRL-AWEZNQCLSA-N 452.799 6.148 50 10 JKGE CC1=C(C)C(=O)C(CCCCCCCCCCCl)=C(CCCCCCCCCCCl)C1=O 888086024 UNFXZWUQJYYWMI-UHFFFAOYSA-N 485.580 9.271 50 10 JKGE CCOc1cc(C=NNC(=O)CC[C@H](O)c2ccccc2)cc(Cl)c1OCc1ccccc1C#N 1084020812 HGMAJQXIRNMTRR-DEOSSOPVSA-N 491.975 5.153 50 10 JKGE C=CCc1cc(C=NNC(=O)CC[C@H](O)c2ccccc2)ccc1OCc1ccccc1Cl 1084047354 QYSPEYQJOAUANF-VWLOTQADSA-N 462.977 5.611 50 10 JKGE O=C(NN=Cc1ccc(Oc2ccccc2)cc1)c1ccc(CN2CCc3ccccc3C2)cc1 1084097718 YRDVJLYCVHUHOT-UHFFFAOYSA-N 461.565 5.801 50 10 JKGE COc1cccc(C(=O)NN=Cc2ccc(Oc3ccc(C(F)(F)F)cc3[N+](=O)[O-])cc2)c1 1084115992 DELXAXSYAGZLEE-UHFFFAOYSA-N 459.380 5.178 50 10 JKGE CCOc1ccc([C@@H](O)CCC(=O)NN=Cc2ccccc2OCc2cccc3ccccc23)cc1 1084245695 MWIMFEDZBCQHSR-NDEPHWFRSA-N 482.580 5.781 50 10 JKGE CCOc1cc(/C=C(\C#N)C(=O)N(C)C)cc(Cl)c1OCc1ccc(Cl)cc1Cl 1084289483 VFRFKCMDJBQXTK-VIZOYTHASA-N 453.753 5.620 50 10 JKGE CCOc1cc(/C=C(\C#N)C(=O)N(C)C)cc(Br)c1OCc1ccc(Cl)cc1Cl 1084315403 UDBOEHFPZZZLJK-VIZOYTHASA-N 498.204 5.729 50 10 JKGE Cc1cccc(-n2c(C)cc(C=NNC(=O)c3cc4cc(Br)ccc4o3)c2C)c1 1084570502 CNPZYSLMQJYETJ-UHFFFAOYSA-N 450.336 5.675 50 10 JKGE CCCCOc1ccc(C=NNC(=O)CCCOc2ccc(CC)cc2Br)cc1 1772755413 GLSMAFFNEUCGJY-UHFFFAOYSA-N 461.400 5.500 50 10 JKGE N#CC1=C(N)Oc2c(c(C(F)(F)F)nn2Cc2ccc(Cl)cc2)[C@@H]1c1ccc(Cl)cc1Cl 1865686358 UJHNLJMYSSIPAD-MRXNPFEDSA-N 499.707 6.129 50 10 JKGE CCc1ccc([C@@H]2C(C#N)=C(N)Oc3c2c(-c2ccccc2)nn3Cc2cc(C)ccc2C)cc1 1865708902 ITSDNDLGJRZWNJ-AREMUKBSSA-N 460.581 5.996 50 10 JKGE N#CSc1ccc(Nc2cc(N3CC[C@@H](c4ccco4)C3)nc(-c3ccccc3Cl)n2)cc1 1868414269 LACMWHAIKIANLK-QGZVFWFLSA-N 473.989 6.701 50 10 JKGE CC(C)[C@@H](/C(O)=C(\C#N)c1nc(-c2ccc3c(c2)CCCC3)cs1)N1C(=O)c2ccccc2C1=O 1872745523 REEZGYSBOGTPCY-JRURIKFDSA-N 483.593 5.802 50 10 JKGE N#C/C(=C(/O)c1cc(C(F)(F)F)cc(C(F)(F)F)c1)c1nc(-c2ccccc2Cl)cs1 1872745839 GDIPPEPMKMXFAA-VKAVYKQESA-N 474.813 7.451 50 10 JKGE N#C/C(=C(/O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1)c1nc(-c2ccc(Br)cc2)cs1 1872746525 MBVXGSMRHDZVDE-ICFOKQHNSA-N 473.264 5.339 50 10 JKGE CCN(Cc1ccccc1)c1ccc(/C=C(\C#N)c2nc(-c3ccc(Cl)cc3Cl)cs2)cc1 1872781424 GAJLZUIBOOFJGJ-KGENOOAVSA-N 490.459 8.208 50 10 JKGE CCCOc1c(Br)cc(/C=C(\C#N)c2nc(-c3cccc(Cl)c3)cs2)cc1OC 1872789989 CRVQVQKGDPCHOW-LZYBPNLTSA-N 489.822 7.088 50 10 JKGE CCOc1cc(/C=C(\C#N)c2nc(-c3cccs3)cs2)ccc1OCc1ccc(C)cc1 1872791306 CPATXRFICYMJRI-FYJGNVAPSA-N 458.608 7.222 50 10 JKGE O=C(COc1ccc(C(=O)NCc2ccccc2)cc1)N/N=C/c1ccc(-c2ccccc2Cl)o1 1873496159 GMGBDBMTEQOUOX-OCSSWDANSA-N 487.943 5.059 50 10 JKGE Cc1cc(CBr)cc(S(=O)(=O)N(Cc2ccccc2)Cc2ccccc2)c1C 1885383512 WKYMVLCRAZCAJT-UHFFFAOYSA-N 458.421 5.589 50 10 JKGE Clc1cc(I)c([C@@H](Br)C2CC(Br)C2)s1 1888108427 MJTPZSFKLPILRH-YXFGPURMSA-N 470.395 5.616 50 10 JKGE Cc1c(Cl)sc(Cl)c1[C@H](Br)c1cc(I)sn1 1899901927 WSTJXBVBOIMRLS-SSDOTTSWSA-N 468.994 5.909 50 10 JKGE CC[C@@H](Br)CN(Cc1ccccc1)c1ncc(Br)c2ccsc12 1915078243 NYPWGDQTIAGSMH-CQSZACIVSA-N 454.231 6.239 50 10 JKGE CCn1ncc(Br)c1[C@@H](Cl)c1sc(Br)c(C)c1Br 1922919898 AQHXHHDMVYUFBZ-MRVPVSSYSA-N 477.447 5.889 50 10 JKGE CC(C)c1ccc([C@@H](Br)c2sc(Br)cc2Br)cc1 1922944436 YSKKSNKNZFXBFA-CYBMUJFWSA-N 453.037 6.881 50 10 JKGE Fc1c(Br)cccc1[C@H](Cl)c1c(Br)sc(Br)c1Cl 1923040034 SDNSIAYQXFSJKQ-ZETCQYMHSA-N 497.836 7.156 50 10 JKGE Cl[C@H](c1c(Br)sc(Br)c1Br)[C@@H]1[C@H]2CCOC[C@H]21 1924572315 YDWXYZHGGUONHZ-VODXULPGSA-N 465.432 5.598 50 10 JKGE Clc1ccc([C@H](Cl)c2c(Br)sc(Br)c2Br)cc1 1924583258 HXYRHHSGCZWXTH-VIFPVBQESA-N 479.846 7.017 50 10 JKGE Fc1ccc([C@H](Cl)c2c(Cl)sc(Br)c2Cl)cc1Br 1925588682 PPCFHMRIZDPMGX-QMMMGPOBSA-N 453.385 7.047 50 10 JKGE CC1(C)CC[C@H]1[C@@H](Br)c1c(Br)sc(Br)c1Br 1987987000 DUMMYDQZBWIAJE-CAHLUQPWSA-N 495.900 6.908 50 10 JKGE Cc1ccc(NC(SCC(=O)NC2CCCCCCC2)=C(C#N)c2nc3ccccc3s2)cc1 2040467060 USCRJDJXUVVPJO-UHFFFAOYSA-N 490.698 6.871 50 10 JKGE C[C@H]1CN(CCCCCCCCCBr)C[C@H](C)N1C(=O)OCc1ccccc1 2044698264 AMLTUWNLIGJTIB-SFTDATJTSA-N 453.465 5.843 50 10 JKGE CCn1cc(Br)c([C@H](Cl)c2c(Cl)sc(Br)c2Cl)n1 2060856271 PSWAQUKYAOXAPY-ZCFIWIBFSA-N 453.414 6.125 50 10 JKGE Cl[C@H](c1c(Br)sc(Br)c1Br)C1C[C@@H]2CC[C@H](C1)O2 2060982729 LOHKSIXKDNFZEA-JAWSBDPTSA-N 479.459 6.273 50 10 JKGE BrCc1ccc(Br)cc1N1[C@H]2CCC[C@H]1CN(Cc1ccccc1)C2 2061944327 HJERROYFCDIJGO-PMACEKPBSA-N 464.245 5.587 50 10 JKGE CCCN[C@@H](c1c(Br)sc(Br)c1Cl)[C@H]1C[C@@H](Br)C1 2076184603 ULCCSAFLDQZMNC-MATHAZKKSA-N 480.491 6.141 50 10 JKGE CC1(C)CC[C@@H](CBr)N1C(=O)c1csc(Br)c1Br 2084952845 UHZJJUCRWVWBLI-ZETCQYMHSA-N 460.029 5.051 50 10 JKGE Br[C@@H](c1ccc(-c2cccs2)s1)c1sccc1I 2085088638 RKZZCJNSCFIDEZ-LBPRGKRZSA-N 467.216 6.627 50 10 JKGE Brc1cc(Br)cc([C@@H](Br)c2ccc(CC3CC3)s2)c1 2087639304 CXFVHNPXONKTRC-OAHLLOKOSA-N 465.048 6.710 50 10 JKGE CCc1sc(Br)cc1[C@H](Br)c1cc(Cl)c(C)cc1Br 2090681506 NZRNGIFNZAEMBY-CQSZACIVSA-N 487.482 7.282 50 10 JKGE C[C@@H](Br)C[C@@H]1CCCCN1Cc1c(Br)cccc1Br 2094101102 ZIPNOZWBTSDNGH-NEPJUHHUSA-N 454.044 5.740 50 10 JKGE BrC[C@@]1(Cc2c(Br)cccc2Br)CC12CCCCC2 2100470033 YAALUFXOJUEWJL-MRXNPFEDSA-N 451.040 6.490 50 10 JKGE FC1(F)CCC[C@@H]2[C@H]([C@H](Cl)c3c(Br)sc(Br)c3Br)[C@@H]21 2114391523 GUESTKGPLPJSSB-ZODPUTJMSA-N 499.440 6.997 50 10 JKGE C[C@@]12CC[C@@](CBr)(C1)N(C(=O)c1cc(Br)sc1Br)C2 2134798144 OOUCWIOFFXXNRN-OLZOCXBDSA-N 472.040 5.053 50 10 JKGE Cc1cc(Br)c(C)c([C@H](Br)[C@@H]2CCOC[C@@H]2C)c1Br 2136380915 XDEXKHREZZVCRK-ZVWUFJHRSA-N 455.028 5.937 50 10 JKGE Cc1cc(Cl)c(Br)cc1[C@H](Cl)c1cc(Cl)ccc1I 2137654981 KGBNTVLCNKFPCD-AWEZNQCLSA-N 490.393 6.997 50 10 JKGE Cl[C@H](c1ccc(Br)cc1I)c1csc2ccccc12 2142286652 GJTBKFZTFLGGSK-OAHLLOKOSA-N 463.565 6.597 50 10 JKGE COc1ccc(OC)c([C@H](Br)c2cccc(Br)c2Br)c1 2148748633 DWKYLIUANLAGNJ-CQSZACIVSA-N 464.979 5.713 50 10 JKGE ClCCc1nc2cc(Br)c(Cl)cc2n1[C@@]12C[C@@H]1CN(Cc1ccccc1)C2 2160065319 JLTXXESZVQHDGG-QVKFZJNVSA-N 465.222 5.465 50 10 JKGE CN(C(=O)c1cc(Br)ccc1Br)C1(CBr)CC(C)(C)C1 2164566902 IFACXYULNWSQPM-UHFFFAOYSA-N 468.027 5.237 50 10 JKGE Brc1ccc(CN2CCC[C@@H]3CC[C@@H](Br)C[C@H]32)c(Br)c1 2167010382 OVBWVRCYONSMQJ-DJSGYFEHSA-N 466.055 5.740 50 10 JKGE Clc1ccc(I)c(CN2Cc3ccc(CBr)cc3C2)c1 2167507693 GQKFMDGXDGZHOP-UHFFFAOYSA-N 462.556 5.355 50 10 JKGE C[C@@]1(Cn2c(CCl)nc3cc(Cl)c(Br)cc32)CCN(Cc2ccccc2)C1 2169015489 NFKCKHRFIROEEQ-OAQYLSRUSA-N 467.238 6.103 50 10 JKGE Cc1c(Cl)cc([C@@H](Br)c2cc(Cl)c(F)cc2Cl)cc1Br 2204291749 XEVNHDSOACSUNZ-CQSZACIVSA-N 461.383 7.341 50 10 JKGE Fc1ccc(Br)c(CO[C@H](CI)c2ccccc2F)c1 2206266260 DOSDZDJVDICFPS-OAHLLOKOSA-N 453.064 5.420 50 10 JKGE CC1(C)C[C@@]1(Cl)[C@@H](Cl)c1c(Br)sc(Br)c1Br 2211991334 WQLKIRKOAXZZJM-QUBYGPBYSA-N 471.867 6.723 50 10 JKGE Cc1c(Br)sc([C@@H](Br)c2cc(Br)ccc2F)c1C 2218791935 VLRVBKGZIJYVGX-NSHDSACASA-N 457.000 6.513 50 10 JKGE COc1cc(F)cc([C@@H](Br)c2cc(Br)c(Br)s2)c1 2218940355 YLSRPHJUABHFRA-LLVKDONJSA-N 458.972 5.905 50 10 JKGE C[C@@H](Cl)c1nc2cccc(Br)c2n1C[C@@H]1CC1(Br)Br 2224800209 FOPWAOQVCDSGDD-SFYZADRCSA-N 471.418 5.605 50 10 JKGE Fc1cc(Br)c(Br)cc1[C@H](Br)c1cc2cscc2s1 2225618369 YQFBTNSWNKKUIU-ZDUSSCGKSA-N 485.035 7.111 50 10 JKGE Cc1c([C@@H](Br)Cc2ccc(Br)cc2Cl)nn(C)c1Br 2229139737 CZGQUEHFJGJQSZ-JTQLQIEISA-N 471.418 5.586 50 10 JKGE FC1(F)CC[C@@H]2[C@H]([C@H](Br)c3c(Br)cc(Cl)c(Cl)c3Cl)[C@@H]21 2232510269 GXLILTKYBWXKPB-ZUKDAGLKSA-N 469.378 7.137 50 10 JKGE Fc1cc(Br)cc2c1nc(CCl)n2[C@@H]1CCCN(Cc2ccccc2)CC1 2232925333 ZOCRLRSJDPMBSW-QGZVFWFLSA-N 450.783 5.904 50 10 JKGE CCOc1cc(Cl)c([C@@H](Br)c2scc(Br)c2C)cc1Cl 2234516879 LHIUFKBPLFLNCV-CYBMUJFWSA-N 459.030 7.009 50 10 JKGE CC(C)(CBr)N(Cc1ccccc1)C(=O)c1cc(F)c(Br)cc1F 2247860035 QVQZZJVLUDQKAG-UHFFFAOYSA-N 461.144 5.543 50 10 JKGE Clc1cccc([C@@H](Br)Cc2cc(Br)cc(Br)c2)c1 2263519435 RKQFJKFEXRJNHT-AWEZNQCLSA-N 453.399 6.544 50 10 JKGE CCc1cc([C@H](Br)c2cc(Cl)c(C)cc2Br)sc1Br 2267765387 LPXJNQPNTDPCTP-CYBMUJFWSA-N 487.482 7.282 50 10 JKGE Fc1cc(Br)c(F)c(Br)c1[C@H](Br)C[C@@]12CCC[C@H]1C2 2272839145 DOWNEMCIYMWVPB-KEMSKJLVSA-N 458.966 6.506 50 10 JKGE Fc1cc(Br)c(F)c(Br)c1[C@H](Br)[C@@H]1C[C@H]2CCC[C@H]21 2272853994 CKBLEHCAOTZDCM-BMYQGPEFSA-N 458.966 6.362 50 10 JKGE Fc1cccc(Br)c1C[C@@H](CBr)c1ccccc1Br 2273827384 OSXMGEWRWOHODD-JTQLQIEISA-N 450.971 6.072 50 10 JKGE CCOc1ccc([C@@H](Cl)c2c(F)cccc2I)cc1Br 2282783592 IUPUGJAMQWINEI-OAHLLOKOSA-N 469.519 5.920 50 10 JKGE Fc1cc(F)c([C@H](Cl)c2c(F)cccc2I)c(F)c1Br 2282786200 BUVTXQOBEUAAID-GFCCVEGCSA-N 479.436 5.938 50 10 JKGE Cc1cc(Br)c(C)c([C@@H](Br)[C@@H]2COC3(CCC3)C2)c1Br 2284852002 AXCDRKUURNEDPR-NHYWBVRUSA-N 467.039 6.224 50 10 JKGE Fc1cc(Cl)c([C@H](Br)Cc2cc(Cl)cc(Cl)c2)cc1Br 2285959060 OMUPPVAGYDEKTG-LLVKDONJSA-N 461.383 7.227 50 10 JKGE Fc1cc(Br)c(F)c(Br)c1[C@@H](Cl)Cc1ccc(Br)cc1 2288355028 OMGCODBNBCTHHH-JTQLQIEISA-N 489.379 6.775 50 10 JKGE CC(C=CC=C(C)C=CC1=C(C)[C@H](OC(=O)C=CC[C@@H](C)CCCO)CCC1(C)C)=CC=O 2294818709 NZDKRQXMNZNHNV-AJTFRIOCSA-N 454.651 6.594 50 10 JKGE COc1cc(C=C(C#N)c2nc(-c3ccc(Cl)cc3Cl)cs2)cc(Br)c1O 2296774267 CESVUAMEVZJSNG-UHFFFAOYSA-N 482.186 6.658 50 10 JKGE N#CC(C(=O)Nc1ccccc1F)=C1SC=C(c2ccc(Br)cc2)N1c1ccccc1 2296834832 ITHFWTRDRASWKM-UHFFFAOYSA-N 492.373 6.514 50 10 JKGE N#CC(=Cc1cn(Cc2ccccc2Cl)c2ccccc12)C(=O)Nc1nc2ccccc2s1 2297500414 XKMWBCKJDRIGCI-UHFFFAOYSA-N 468.969 6.498 50 10 JKGE CC(C)C1([C@H](Br)c2cc(Br)ccc2OCc2ccccc2)CCC1 2299495161 KLVVIRWFOFFAQO-HXUWFJFHSA-N 452.230 7.290 50 10 JKGE Brc1ccc(OCc2ccccc2)c([C@@H](Br)[C@H]2CCC[C@@H]3C[C@H]23)c1 2299501239 MELPQNRTPVPBTN-NKMKZGIRSA-N 450.214 6.900 50 10 JKGE CO[C@H]1C[C@@H](C[C@@H](Br)c2cc(Br)ccc2OCc2ccccc2)C1 2299536343 YSWPNCAZQUPUMD-HHXXYDBFSA-N 454.202 6.279 50 10 JKGE CCC[C@@H](C)[C@H](Br)c1c(Cl)cc(Br)c(F)c1Br 2300172439 QTQKRVIWOZIFLM-LDWIPMOCSA-N 451.399 6.876 50 10 JKGE Cc1c(F)ccc(CO[C@@](C)(CI)CNC(=O)OC(C)(C)C)c1Cl 2301341817 TVDAQYWTJZSVLO-KRWDZBQOSA-N 471.738 5.023 50 10 JKGE Cc1ccc(NC(=O)C(C#N)=Cc2ccc(-c3cc(Cl)c(Br)c([N+](=O)[O-])c3)o2)cc1 2313567447 HNHNDPLJYMNNSE-UHFFFAOYSA-N 486.709 6.125 50 10 JKGE CCOC(=O)COc1c(Cl)cc(C=C(C#N)C(=O)Nc2cccc(Cl)c2Cl)cc1Cl 2313570782 GCKMOQQMNYXCAE-UHFFFAOYSA-N 488.154 5.788 50 10 JKGE COc1ccc(NC(=O)C(C#N)=Cc2cn(-c3ccccc3)nc2-c2cc3cccc(OC)c3o2)cc1 2314450678 LCENGBOLXOKBQW-UHFFFAOYSA-N 490.519 5.848 50 10 JKGE CC(C)([C@@H]1CCCO1)[C@@H](Br)c1ccc(OCc2ccccc2)cc1Br 2314503040 OLTCHEHHJFQZSX-PMACEKPBSA-N 468.229 6.669 50 10 JKGE CCOc1ccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)C=Cc4ccc(C)cc4)ccc32)cc1OC 2314634629 QFNCVYXUSKYSNO-MUUNZHRXSA-N 482.536 5.239 50 10 JKGE COCc1ccc([C@H](Br)c2cc(Cl)ccc2I)s1 2315098126 RGDIHXZDTQRGNZ-CYBMUJFWSA-N 457.558 5.637 50 10 JKGE Fc1c(Br)cc(Cl)c([C@H](Br)[C@@]23COC[C@@H]2C3)c1Br 2315440303 QZKISIAIFTXRPG-WQAUNQLMSA-N 463.366 5.477 50 10 JKGE CCCOc1ccc(C=NNC(=O)c2ccc(-c3ccc(Cl)cc3)nc2C)cc1OCC 2321213116 LBVJCJHPLBLXPD-UHFFFAOYSA-N 451.954 5.662 50 10 JKGE N#CC(=CNc1ccc(Cl)cc1C(F)(F)F)C(=O)Nc1ccccc1Sc1ccccc1 2325339517 RBDJCVCPBGGXRE-UHFFFAOYSA-N 473.907 6.968 50 10 JKGE Cc1ccc(S(=O)(=O)NCC(O)=C(C#N)c2nc(-c3ccc(-c4ccccc4)cc3)cs2)cc1 2331232317 CTVOZVBPNCLHIA-UHFFFAOYSA-N 487.606 5.557 50 10 JKGE CCCCc1ccc(-c2csc(C(C#N)=C(O)[C@H]3CC(=O)N([C@@H](C)c4ccccc4)C3)n2)cc1 2331255995 MLSCTQKRUWYZBP-CVDCTZTESA-N 471.626 6.555 50 10 JKGE CCOc1cc(C(O)=C(C#N)c2nc(-c3ccc(OC)c(C)c3)cs2)cc(OCC)c1OCC 2331259191 XWMWDJYWCJEJPI-UHFFFAOYSA-N 480.586 6.273 50 10 JKGE CCc1cccc(C)c1N1C[C@@H](C(O)=C(C#N)c2nc(-c3ccccc3Cl)cs2)CC1=O 2331266716 AKZQGSSUAOUOHF-KRWDZBQOSA-N 463.990 6.180 50 10 JKGE CCOc1ccc(-c2csc(C(C#N)=C(O)C=Cc3ccc(OCc4ccccc4)cc3)n2)cc1 2331305823 YNVHKNANUYPRRL-UHFFFAOYSA-N 480.589 7.294 50 10 JKGE CCCCOc1ccc(C(O)=C(C#N)c2nc(-c3ccc(OCCC)cc3)cs2)cc1OCC 2331318277 RTJBHJQNNBOSJQ-UHFFFAOYSA-N 478.614 7.126 50 10 JKGE COc1cc(OC)c(-c2csc(C(C#N)=C(O)CCCOc3ccccc3Cl)n2)cc1Cl 2331378759 ZUVYYMCOAXVXLI-UHFFFAOYSA-N 491.396 6.786 50 10 JKGE CCc1cccc(C)c1N1C[C@@H](C(O)=C(C#N)c2nc(-c3cc(C(C)(C)C)ccc3C)cs2)CC1=O 2331396371 RSUMSTKDVNALSW-NRFANRHFSA-N 499.680 7.133 50 10 JKGE CCCOc1c(Br)cc(C=C(C#N)c2nc(-c3cc(C)ccc3OC)cs2)cc1OC 2331448907 NSMGBEFHGICXCM-UHFFFAOYSA-N 499.430 6.751 50 10 JKGE CCOc1cc(C=C(C#N)c2nc(-c3ccc4c(c3)OCO4)cs2)cc(Br)c1O 2331453767 HGEQWBYRFLIVEK-UHFFFAOYSA-N 471.332 5.470 50 10 JKGE CC1(C)CC(C[C@@H](Br)c2c(Cl)cc(Br)c(F)c2Br)C1 2337083522 ALMFCDMMLPBVQG-MRVPVSSYSA-N 477.437 7.266 50 10 JKGE Fc1c(Br)cc(Cl)c([C@H](Br)C2[C@@H]3CCCC[C@@H]23)c1Br 2337091945 JFWSDDFXXSYHIR-NQYJQULFSA-N 475.421 6.876 50 10 JKGE Cc1cc([C@@H](Cl)c2c(Cl)cc(Br)c(F)c2Br)sc1Cl 2337096760 FZBBPWFQIFEJQF-SNVBAGLBSA-N 467.412 7.356 50 10 JKGE C[C@@]12CC[C@@](CBr)(C1)N(Cc1ccc(Cl)c(I)c1)C2 2337219643 VEQXFSVQIODAOW-CABCVRRESA-N 454.577 5.084 50 10 JKGE CCCc1sc(Br)cc1[C@@H](Br)c1nn(C)c(Cl)c1Br 2338027341 VXBWHASVGFOAEU-SECBINFHSA-N 491.474 6.097 50 10 JKGE COc1c(Br)cc(C)c([C@H](Br)[C@@H]2CC[C@H](F)C2)c1Br 2339656309 MNQGMNVXGFBWIP-VDDIYKPWSA-N 458.991 6.103 50 10 JKGE Cc1cc(Br)c(F)c(Br)c1[C@H](Br)C1(C)CC(C)(C)C1 2339681422 HSCZTGCDLLVXOY-ZDUSSCGKSA-N 457.019 6.921 50 10 JKGE Cc1c(CCl)ccnc1OCc1cc(I)ccc1Br 2341553149 VKEGJACJOKGXRW-UHFFFAOYSA-N 452.517 5.075 50 10 JKGE ClC[C@]1(Cc2ccc(I)c(Br)c2)CCCC12CCC2 2349839597 IZMHLJLFHCSPAQ-MRXNPFEDSA-N 453.589 6.176 50 10 JKGE CCc1cc(Br)c(OC)c([C@H](Br)c2ncsc2Br)c1 2353046571 VVUWFBHBHFTFPJ-JTQLQIEISA-N 470.024 5.723 50 10 JKGE FC(F)COCCC(CBr)(CBr)c1cccc(Br)c1 2353458130 XVXPOUPRFQMDKX-UHFFFAOYSA-N 464.970 5.149 50 10 JKGE Cc1cc(Br)c(C)c([C@H](Br)[C@@H]2CC[C@H]3C[C@@H]2CO3)c1Br 2357916817 JMNLAQUIYVUKAG-AZKPJATDSA-N 467.039 6.080 50 10 JKGE O=C(N[C@@H](CCBr)COCc1ccccc1)c1ccc(Cl)cc1C(F)(F)F 2369434705 ZQVICDNIKJPSSJ-HNNXBMFYSA-N 464.709 5.459 50 10 JKGE Cc1cccc(C[C@H](CCl)Cc2ccc(I)c(Br)c2)c1 2377328645 FDNIQFCRUVQKTL-HNNXBMFYSA-N 463.584 6.002 50 10 JKGE BrCc1cc(Br)c(O[C@@H]2CCC[C@@H]3CCO[C@@H]32)c(Br)c1 2380396343 UJJSBZICAXMFDI-HONMWMINSA-N 469.011 5.443 50 10 JKGE CC(C)(C)c1ccc(C(=O)Nc2ccc(C(=O)N/N=C/c3ccc(Br)cc3)cc2)cc1 12491720 MUUUWLCFPYUDJZ-JVWAILMASA-N 478.390 5.763 50 10 JKGE Cc1ccc(N2C(=O)[C@@H](Cc3ccc(Cl)cc3)S/C2=C(\C#N)C(=O)Nc2ccccc2)cc1 16739816 GESKCNIVNAMZBF-QPQMVVSWSA-N 473.985 5.713 50 10 JKGE CC(/C=C\c1ccccc1F)=N\NC(=O)c1ccc(OCc2ccc(Br)cc2)cc1 20158933 RQXZIMWLGLZOER-FLDBTVEESA-N 467.338 5.986 50 10 JKGE CC(C)[C@H](Br)C(=O)Nc1c(Br)cc(Br)cc1Br 20504570 PDYOYKZJNQWBJV-VIFPVBQESA-N 492.831 5.332 50 10 JKGE Cc1cccc(C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@@H]3c2ccc(Cl)c(Cl)c2)c1 38655658 DMRXVOSSJRAFPU-JOCHJYFZSA-N 451.309 5.739 50 10 JKGE C[C@@H](Oc1ccc(F)cc1)C(=O)Oc1ccc2c(c1)OC(N)=C(C#N)[C@H]2c1cccc2ccccc12 38657837 QXIDLZGACHSWCX-CRYYWNKWSA-N 480.495 5.570 50 10 JKGE N#CC1=C(N)Oc2cc(OC(=O)Cc3cccc4ccccc34)ccc2[C@H]1c1cccc2ccccc12 38657843 SGKIWMZPRXBAAW-WJOKGBTCSA-N 482.539 6.359 50 10 JKGE COC(=O)/C(C#N)=C/c1cccc(OC(=O)/C=C/c2ccc(OCc3ccccc3C)c(OC)c2)c1 40926990 CAAQFVBOEJMJRJ-LGMITGSMSA-N 483.520 5.281 50 10 JKGE O=C(CSc1nc2ccc([N+](=O)[O-])cc2s1)N/N=C/c1ccccc1OCc1ccccc1 58990397 UMCCGBHAOATIAF-ZMOGYAJESA-N 478.555 5.026 50 10 JKGE Cc1c(C(=O)NNC(=O)c2ccccc2Cl)oc2c1/C(=N\Nc1ccccc1)CC(C)(C)C2 101109078 QQIKETAWOGBJMF-USHMODERSA-N 464.953 5.105 50 10 JKGE C[C@H](NC(=O)/C(C#N)=C1/N=C(NC(=O)c2ccc(Cl)cc2Cl)c2ccccc21)c1ccccc1 102673759 XHGHOKCXDAEWRP-SPWUXBQFSA-N 489.362 5.296 50 10 JKGE N#C/C(=C/c1ccccc1OCC(=O)Nc1ccccc1)C(=O)Nc1sc2c(c1C#N)CCCC2 107962874 AQMMNGMVQLONMR-RGEXLXHISA-N 482.565 5.062 50 10 JKGE Cc1cc(Br)c([C@H](Br)[C@@H]2CC[C@@H]3CCCC[C@@H]3C2)cc1Br 168264904 DPIYHSOVVLRQHC-HNSFDTNUSA-N 479.094 7.563 50 10 JKGE CCCCOc1ccccc1/C=C/C(=O)Oc1ccc(/C=C(/C#N)C(=O)NCc2ccco2)cc1 206955336 CXKYASWMTCQMFR-JOOTXJLTSA-N 470.525 5.301 50 10 JKGE N#C/C(=C/N1CCN(c2cccc(Cl)c2)CC1)C(=O)Nc1ccc(Cl)c(C(F)(F)F)c1 217250403 RXLIFWKBSVPREO-YPKPFQOOSA-N 469.294 5.180 50 10 JKGE CCCOc1ccc([C@H](Br)c2ccc(Br)cc2F)cc1Br 229008545 MMDACQXIPRXBJA-INIZCTEOSA-N 480.997 6.624 50 10 JKGE Fc1cc(Cl)c([C@@H](Br)c2ccc(I)c(Cl)c2)cc1F 231306038 HGMVRCDDZFCHOG-ZDUSSCGKSA-N 477.901 6.361 50 10 JKGE O=C(NC1(CBr)CCCCC1)c1cc(Br)sc1Br 232475985 BVNQTRAOZPLXKH-UHFFFAOYSA-N 460.029 5.101 50 10 JKGE C/C(C=NNC(=O)CSc1nnc(-c2ccc(C(C)(C)C)cc2)n1-c1ccccc1)=C/c1ccco1 254483494 JCSNZORYWFHEKJ-PEHBOLBXSA-N 499.640 6.122 50 10 JKGE 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@]12C 254700011 WUBOZGDSEKAKCR-INSCYUFDSA-N 465.162 8.258 50 10 JKGE Cc1ccc(-c2nnc(SCC(=O)NN=Cc3cccc(F)c3)n2C2CCCCC2)cc1 254733936 HPSMIFGCEDZSGA-UHFFFAOYSA-N 451.571 5.140 50 10 JKGE CCOc1ccc(-c2cc(C(=O)NN=Cc3ccc(Br)s3)c3cc(C)ccc3n2)cc1 254757287 IWHQTZXRUKAPDG-UHFFFAOYSA-N 494.414 6.197 50 10 JKGE C[C@H](Cl)c1nc2cc(F)c(Br)cc2n1[C@H]1CCN(Cc2ccccc2)[C@H]1C 312594415 DYABSKLJNJYUQN-NJSLBKSFSA-N 450.783 6.073 50 10 JKGE C[C@H]1CN(Cc2ccccc2)C[C@@]1(C)Cn1c(CCl)nc2cc(I)ccc21 379979079 JHPPRGDEUFPNDE-AOMKIAJQSA-N 493.820 5.538 50 10 JKGE CCC(CC)([C@@H](Br)c1cc(Br)sc1Br)C(F)(F)F 690950614 YOSCVNDNLKKDDM-QMMMGPOBSA-N 472.990 7.078 50 10 JKGE C[C@H]1Cc2cc(Br)cc([C@@H](Br)c3ccc(OCc4ccccc4)cc3)c2O1 720047733 ZMTMWKONYGKRIV-NYHFZMIOSA-N 488.219 6.836 50 10 JKGE COc1cc(Br)ccc1[C@H](Br)c1sc(C)c(Br)c1C 724912365 BUDMBIXIRDIGFX-ZDUSSCGKSA-N 469.036 6.383 50 10 JKGE CCOc1cc(C=NNC(=O)c2ccccc2N)ccc1OCc1ccc(Cl)cc1Cl 1084153284 ILEMYDNVQPXJDU-UHFFFAOYSA-N 458.345 5.317 50 10 JKGE O=C(CC[C@H](O)c1ccccc1)NN=Cc1cc(Cl)c(OCc2cccc(F)c2)c(Cl)c1 1084278455 BWXDFDZATQYQPP-QFIPXVFZSA-N 475.347 5.675 50 10 JKGE Cc1ccc(Cn2c(C)c(C=NNC(=O)c3ccccc3Br)c3ccccc32)cc1 1084377170 FJAXMEAIKADWJA-UHFFFAOYSA-N 460.375 5.833 50 10 JKGE Cc1ccc(Cl)cc1NC(=O)/C(C#N)=C\c1cc(Cl)ccc1OCc1ccccc1Cl 1084398040 CXOGSCVGIABJQF-ZDLGFXPLSA-N 471.771 7.080 50 10 JKGE O=C(NN=Cc1ccc(OCc2ccccc2Cl)cc1)C(c1ccccc1)c1ccccc1 1084434880 WGHWBCBLWNIQNE-UHFFFAOYSA-N 454.957 6.201 50 10 JKGE Cc1c(C(=O)N2c3ccc(F)cc3CC[C@@H]2C)oc2c1C(=NNC(=O)c1ccc(Cl)cc1)CCC2 1772744573 ZTIGWGRRATUJND-HNNXBMFYSA-N 493.966 5.832 50 10 JKGE CCOc1cccc([C@H]2C(C#N)=C(N)Oc3c2c(C(F)(F)F)nn3Cc2cccc(Cl)c2)c1 1865690491 STFFSSOCWOLJNA-SFHVURJKSA-N 474.870 5.220 50 10 JKGE Cc1nc(-c2ccc(Cl)c(Cl)c2)ccc1C(=O)N/N=C\c1cccc(Cl)c1Cl 1865762594 QKZAITKQNFPROJ-MRUKODCESA-N 453.156 6.435 50 10 JKGE CCCc1nc(Nc2ccc(SC#N)cc2)cc(N2CCC[C@@H]2c2nc3ccccc3s2)n1 1868389453 VFBRRWNLZROYFF-HXUWFJFHSA-N 472.643 6.697 50 10 JKGE C[C@H]1Cc2ccccc2N(c2cc(Nc3ccc(SC#N)cc3)nc(-c3cccnc3)n2)C1 1868565545 MTWHIALSPLVVEL-SFHVURJKSA-N 450.571 6.186 50 10 JKGE COC(=O)c1ccc(/C(C#N)=C/c2ccc(OC)c(OCc3ccc(Cl)c(Cl)c3)c2)o1 1872728593 KSRSKKLFUTWLCP-CXUHLZMHSA-N 458.297 6.025 50 10 JKGE COc1ccc(-c2csc(/C(C#N)=C(\O)c3ccc4c(c3)C(=O)N(Cc3ccco3)C4=O)n2)cc1C 1872746323 CDZKQPFAAGNZRL-FLFQWRMESA-N 497.532 5.466 50 10 JKGE COc1ccccc1-c1csc(/C(C#N)=C(\O)[C@@H](C)Oc2ccc(Cl)cc2Br)n1 1872746907 FIXFNRPYZXSXCW-FWORZXNSSA-N 491.794 6.495 50 10 JKGE Cc1c(/C(O)=C(\C#N)c2nc(-c3cccc4ccccc34)cs2)cc([N+](=O)[O-])cc1[N+](=O)[O-] 1872751983 JSAWWUCLLMFFRJ-QOCHGBHMSA-N 458.455 6.038 50 10 JKGE COc1ccc(-c2csc(/C(C#N)=C(\O)c3ccc4c(c3)C(=O)N(C(C)(C)C)C4=O)n2)cc1Cl 1872757573 MEDVRUMBWGEBAC-FXBPSFAMSA-N 493.972 5.816 50 10 JKGE N#C/C(=C(/O)COc1ccc(Cl)cc1Cl)c1nc(-c2cc(Cl)ccc2Cl)cs1 1872758927 XBELZJSOHOSNTD-LGMDPLHJSA-N 472.180 7.295 50 10 JKGE COc1cccc(-c2csc(/C(C#N)=C/c3ccc(OCc4ccc(Cl)cc4Cl)cc3)n2)c1 1872781973 ZYYOCALXMNXBJW-RGVLZGJSSA-N 493.415 7.769 50 10 JKGE COc1cc(/C=C(\C#N)c2nc(-c3ccc(C)cc3)cs2)ccc1OCc1ccc(Cl)cc1 1872790848 IBIAFBYYBGLTFD-LPYMAVHISA-N 472.997 7.424 50 10 JKGE CC[C@H](Br)CN(Cc1ccccc1)C(=O)c1cc(Cl)ccc1Br 1915075216 BOLHLJXWSIZOAN-AWEZNQCLSA-N 459.609 5.918 50 10 JKGE CC(C)[C@H](CBr)N(Cc1ccccc1)S(=O)(=O)c1cc(Cl)ccc1Cl 1915296644 WWWYODRMHMEVLI-KRWDZBQOSA-N 465.240 5.604 50 10 JKGE CCOc1ccc([C@@H](Br)c2cc(C)c(Br)o2)c(Br)c1 1917604454 APTXNOJUWNBCOW-CYBMUJFWSA-N 452.968 5.996 50 10 JKGE COc1cc(F)c(Br)cc1[C@H](Br)c1cc(C)c(Br)o1 1917604754 BTMVQSGVKBEUNZ-LBPRGKRZSA-N 456.931 5.745 50 10 JKGE FC(F)(F)c1ccc([C@H](Br)c2sc(Br)cc2Br)cc1 1922955328 YIDHKOYUMAVJCZ-JTQLQIEISA-N 478.953 6.776 50 10 JKGE CCc1ccc([C@H](Br)c2c(Br)sc(Br)c2Cl)s1 1923050809 ZVQLLPIZAJCIIL-QMMMGPOBSA-N 479.484 7.035 50 10 JKGE C[C@@H]1C[C@H]([C@H](Cl)c2c(Br)sc(Br)c2Br)[C@@H](C)O1 1924611966 HUEBUZTYVCAISE-SPPFEBNGSA-N 467.448 6.129 50 10 JKGE CC(C)Cc1ccccc1[C@H](Br)c1c(Cl)sc(Br)c1Cl 1925549404 UZIWKUHCMPBXSZ-LBPRGKRZSA-N 457.058 7.500 50 10 JKGE C[C@@H]1C[C@@H](N(C)c2cccc(Br)c2CBr)CN1Cc1ccccc1 1949206327 ZVHQWFZOTHGZFE-NVXWUHKLSA-N 452.234 5.443 50 10 JKGE CC(C)[C@H](CCl)N(Cc1ccccc1)C(=O)c1cc(I)ccc1F 2003649326 IVZYDRZOHIIRHX-SFHVURJKSA-N 459.730 5.336 50 10 JKGE FC(F)(C1CCCC1)[C@@H](Br)c1sc(Br)cc1Br 2012974194 CLWNUSGDVWHUAT-JTQLQIEISA-N 452.984 6.535 50 10 JKGE FC(F)(C1CCCC1)[C@@H](Br)c1cc(Br)sc1Br 2012977690 POEUGYPLFALBEX-VIFPVBQESA-N 452.984 6.535 50 10 JKGE Clc1ccc([C@@H](Br)c2cccc(Br)c2Br)c(Cl)c1 2031478689 IQBAGPAQHQCIOG-GFCCVEGCSA-N 473.817 7.003 50 10 JKGE C[C@@]1([C@H](Br)c2c(Br)sc(Br)c2Cl)CCCC1(F)F 2048965958 CBLHZEPAAIHQMR-XCBNKYQSSA-N 487.429 7.188 50 10 JKGE Cc1c(Br)sc([C@@H](Br)C2CC3(C2)CC3(C)C)c1Br 2063993650 JDJAUQSTORNVIM-CFEOFWIRSA-N 457.069 6.844 50 10 JKGE Cc1cc(Cl)c(Br)cc1[C@@H](Br)c1scc(C)c1Br 2082387847 QXYUTEJUYYGWEB-GFCCVEGCSA-N 473.455 7.028 50 10 JKGE Fc1cc(Cl)c([C@@H](Cl)c2cc(Br)sc2Br)cc1Cl 2083776261 TXAGYZGTPNFDNS-SNVBAGLBSA-N 453.385 7.047 50 10 JKGE BrCC[C@@H]1CCCN(Cc2ccc(Br)cc2Br)CC1 2093317994 LSCIEZZXGOAEPA-LBPRGKRZSA-N 454.044 5.599 50 10 JKGE F[C@H]1CC[C@@H](CC(CBr)(CBr)c2cccc(Br)c2)C1 2093928011 PRYBSPGKIJVUJG-RISCZKNCSA-N 457.019 6.005 50 10 JKGE CCOc1ccc([C@H](Br)c2cc(Br)sc2C)cc1Br 2095699613 QHISXZISDGCTAX-AWEZNQCLSA-N 469.036 6.465 50 10 JKGE CCOc1ccc([C@@H](Br)c2nc(C)sc2Br)c(Br)c1 2113184739 IQUHCLJCUIRMPD-LLVKDONJSA-N 470.024 5.860 50 10 JKGE C[C@@H](CCCCCI)NC(=O)c1cc(Cl)cc(Br)c1 2117894826 MZKOOAFQSBHOFV-JTQLQIEISA-N 458.565 5.216 50 10 JKGE Brc1cccc(Br)c1CN1C[C@@H](Br)CCC12CCC2 2117904437 RJCGUCMTHAVYBU-NSHDSACASA-N 452.028 5.494 50 10 JKGE Cc1cc(F)cc([C@@H](Br)c2ccc(Br)c(C)c2Br)c1 2138876016 LLRCRKFHEJQIRF-OAHLLOKOSA-N 450.971 6.452 50 10 JKGE ClC[C@@H](Cc1ccc(I)c(Cl)c1)c1ccccc1Br 2142940475 NWLMYVFEBBKAIS-LLVKDONJSA-N 469.975 6.272 50 10 JKGE Fc1ccc2nc(CCl)n([C@@H]3CCOC[C@@H]3OCc3ccccc3)c2c1Br 2146519498 HFNQJOZFEXPLJV-SJORKVTESA-N 453.739 5.224 50 10 JKGE Cc1cc([C@@H](Br)c2cc(Br)c3c(c2)C[C@@H](C)O3)sc1Br 2146630361 WJTDRCNCXUYTPD-OQPBUACISA-N 481.047 6.389 50 10 JKGE O=[N+]([O-])c1ccc(C[C@@H](Br)c2c(Br)cccc2Br)cc1 2150504373 WAFINZWSPVRRCU-CYBMUJFWSA-N 463.951 5.799 50 10 JKGE FC1(F)[C@H]2C[C@H](Oc3c(Br)cc(Br)cc3CBr)CC[C@H]21 2166005403 SQDOWOAWLDKLGT-MXWKQRLJSA-N 474.965 5.919 50 10 JKGE Cc1c(Cl)cc([C@@H](Br)Cc2c(Cl)cccc2Cl)cc1Br 2167381638 NDGLJMSTAKDMQI-LBPRGKRZSA-N 457.420 7.396 50 10 JKGE CC[C@@H](Cl)[C@H]1CCCCN1C(=O)c1cc(I)ccc1Br 2170613122 BXLCAQYKBDSFFO-ZIAGYGMSSA-N 470.576 5.066 50 10 JKGE CN(CCCOCc1ccccc1)S(=O)(=O)c1c(CBr)sc2ccccc12 2179826624 UZMKMCGTOCGNOJ-UHFFFAOYSA-N 468.438 5.024 50 10 JKGE CCCCCc1ccc([C@H](Br)c2ccc(I)c(Cl)c2)s1 2197259692 ZKZBFQLYTZORAZ-MRXNPFEDSA-N 483.640 7.223 50 10 JKGE COc1cc(Cl)c([C@@H](Br)c2cccc(Cl)c2Cl)cc1Br 2202346371 HACCVIACVFFZLO-ZDUSSCGKSA-N 459.392 6.902 50 10 JKGE O=[N+]([O-])c1sc(CBr)cc1Oc1c(Cl)cc(Br)cc1Cl 2202995790 UXVRVHFSNFUWNH-UHFFFAOYSA-N 461.946 6.413 50 10 JKGE CO[C@@H]1CC([C@@H](Br)c2ccc(Br)c(C)c2Br)C[C@H]1OC 2203706744 TYNPTSVLWPRMCD-UMVBOHGHSA-N 471.027 5.396 50 10 JKGE CC[C@@H]1[C@@H](Cl)CC[C@H]1c1sc(Br)c(Br)c1Br 2212188979 GUQQWMUOYCLICF-XVMARJQXSA-N 451.449 6.547 50 10 JKGE CCN(C(=O)c1cc(Br)sc1Br)[C@H]1CCC[C@@H]1Br 2217693430 JTZAGVICPAFXAJ-IUCAKERBSA-N 460.029 5.051 50 10 JKGE Cc1ccc([C@H](Br)[C@@H](C)c2ccncc2Br)cc1I 2224618663 MPGIXVJJRARWDW-ZUZCIYMTSA-N 494.996 5.997 50 10 JKGE Cc1cc(Br)c([C@@H](Br)C(C2CC2)C2CC2)c(C)c1Br 2227349660 SKZIKIZILXNECG-MRXNPFEDSA-N 451.040 6.701 50 10 JKGE Cc1cc(Br)c([C@H](Br)C[C@@H]2CC[C@H]3C[C@@H]32)c(C)c1Br 2227363437 XUZAUTRTHPTUOA-ZJQBRPOHSA-N 451.040 6.701 50 10 JKGE CCc1cc(Br)c([C@@H](Br)c2cc(C)c(Br)c(C)c2)s1 2227419894 ARFBXLIRPFQXTJ-AWEZNQCLSA-N 467.064 6.937 50 10 JKGE Clc1cc(Br)ccc1C[C@@H](Cl)c1cc(Br)cc(Br)c1 2229141186 CMEPLXHMECWRJG-CYBMUJFWSA-N 487.844 7.150 50 10 JKGE Cc1oc(C)c([C@@H](Br)c2c(Br)cc(Cl)c(Cl)c2Cl)c1C 2232512042 MOEYEVBCKTZSBB-GFCCVEGCSA-N 461.408 7.412 50 10 JKGE COc1cc(Br)c(C)cc1[C@H](Cl)c1ccc(C)c(I)c1 2232836243 FFMJYWICKLTTDD-MRXNPFEDSA-N 465.556 6.007 50 10 JKGE Clc1cc(Br)c([C@H](Br)[C@@H]2OC[C@@H]3CCC[C@@H]32)c(Cl)c1Cl 2233182950 HUNSTURSWXEQMN-AXOKYAICSA-N 463.424 6.660 50 10 JKGE CC(C)c1cc(Br)cc([C@@H](Br)c2sccc2Br)c1 2254727470 XIBYQZVODSXUQT-CYBMUJFWSA-N 453.037 6.881 50 10 JKGE Brc1cc(Br)cc(C[C@@H](Br)c2cccc(Br)c2)c1 2263516841 IQXPZEBYWWPBPG-CQSZACIVSA-N 497.850 6.653 50 10 JKGE Cc1cc(Br)c([C@@H](Br)c2cccc(C)c2Br)c(C)c1F 2279144552 OOUIDNDHSXACQP-HNNXBMFYSA-N 464.998 6.760 50 10 JKGE O=C(NC1(CBr)CCCCCC1)c1ccc(Cl)c(I)c1 2283666175 YHKNBMASRNXCFM-UHFFFAOYSA-N 470.576 5.162 50 10 JKGE CCOC(=O)c1c(NC(=O)C(C#N)=Cc2ccc(-c3ccc(Cl)c([N+](=O)[O-])c3)o2)sc(C)c1C 2293038923 IHUAKWBPOLLXIM-UHFFFAOYSA-N 499.932 5.909 50 10 JKGE CCOc1ccc(NC(=O)C(C#N)=Cc2cn(Cc3ccc(Cl)cc3)c3ccccc23)cc1 2294147030 ZJOXUESQDGNSBN-UHFFFAOYSA-N 455.945 6.287 50 10 JKGE COc1cc(C=C(C#N)c2nn(-c3ccccc3)c(N)c2C#N)ccc1OCCc1ccccc1 2294400607 SLGUQWFVVAUJMH-UHFFFAOYSA-N 461.525 5.020 50 10 JKGE Brc1cc(Br)cc(C[C@@H](Br)c2cc3c(s2)CCSC3)c1 2295338229 UDKUVMBBPREPNT-CYBMUJFWSA-N 497.115 6.741 50 10 JKGE N#CC(=CNc1ccccc1I)c1nc(-c2cc3ccccc3oc2=O)cs1 2296752668 GHDOYKASXMYWJT-UHFFFAOYSA-N 497.317 5.498 50 10 JKGE N#CC(=CNc1ccc(Oc2ccccc2)cc1)c1nc(-c2cccc(Br)c2)cs1 2296800518 CEAYUGAXBVDYSC-UHFFFAOYSA-N 474.383 7.341 50 10 JKGE CCc1ccc(NC(=O)C(C#N)=Cc2ccc(OCc3cccc(C(=O)O)c3)c(OC)c2)cc1 2313562317 MVLMJRCNZIBUAE-UHFFFAOYSA-N 456.498 5.080 50 10 JKGE N#CC(=Cc1ccc(OC(=O)c2cccc3ccccc23)cc1)C(=O)Nc1cccc2ccccc12 2313724760 ZUXWRXDYNSSFGV-UHFFFAOYSA-N 468.512 6.758 50 10 JKGE Brc1cc(OCc2ccccc2)ccc1[C@@H](Br)c1cc2c(s1)CCC2 2314448037 DMOAKNQJWOIZBU-OAQYLSRUSA-N 478.249 7.063 50 10 JKGE C[C@]1([C@@H](Br)c2cc(Br)ccc2OCc2ccccc2)C[C@@H]1C(F)(F)F 2314455222 MVXYZGVEUKPBSS-BZSNNMDCSA-N 478.146 7.053 50 10 JKGE N#CC(=C(O)c1ccccc1C(=O)c1ccccc1)c1nc2cc(C(F)(F)F)ccc2s1 2314483033 VAPQTVSMIHNUOR-UHFFFAOYSA-N 450.441 6.496 50 10 JKGE CCc1ccc(C[C@H]2SC(=C(C#N)C(=O)NCc3ccco3)N(c3ccc(C(C)C)cc3)C2=O)cc1 2314592899 DGDDYELNMIXVRO-AREMUKBSSA-N 499.636 5.708 50 10 JKGE CCCCNC(=O)C(C#N)=Cc1ccc(OC(=O)C(c2ccccc2)c2ccccc2)c(OC)c1 2314776826 GFLOPEAPGRSPFO-UHFFFAOYSA-N 468.553 5.256 50 10 JKGE Clc1cc(I)c([C@H](Cl)Cc2ccc(Br)cc2Cl)s1 2316599206 NEHRQLGFTNTTKG-SECBINFHSA-N 496.422 6.945 50 10 JKGE CCOc1ccc(CC(=O)Oc2ccc(C=C(C#N)c3ccc(OC)c(OC)c3)cc2OC)cc1 2320507157 ZWSPVQQJSMSFCF-UHFFFAOYSA-N 473.525 5.323 50 10 JKGE COc1ccc(NC(=O)C(C#N)=CNc2cc(C(F)(F)F)cc(C(F)(F)F)c2)cc1Cl 2324402130 XFAJSIVQQUCWRD-UHFFFAOYSA-N 463.765 5.844 50 10 JKGE Cc1ccc(NC=C(C#N)C(=O)N2CCN(C(c3ccccc3)c3ccccc3)CC2)cc1Cl 2324598913 DRAUMUATOXJVNA-UHFFFAOYSA-N 471.004 5.402 50 10 JKGE C[C@@H]1CC[C@@H](Br)[C@@H](Cc2ccc(I)c(Br)c2)CC1 2325173928 BTIUMETXYLNMBM-CYZMBNFOSA-N 486.029 6.186 50 10 JKGE CCc1cccc(CC)c1N1C[C@@H](C(O)=C(C#N)c2nc(-c3ccc(OC)c(C)c3)cs2)CC1=O 2331259251 HACKMUCLWJGSOH-NRFANRHFSA-N 487.625 6.098 50 10 JKGE CCCCOc1ccc(C(O)=C(C#N)c2nc(-c3ccccc3OC)cs2)cc1OCC 2331282217 RGHVKULQSKRDHO-UHFFFAOYSA-N 450.560 6.346 50 10 JKGE COc1ccc(-c2csc(C(C#N)=C(O)COc3ccc(C)cc3C(C)(C)C)n2)c(C)c1C 2331362237 MGFADPRVMHUAPF-UHFFFAOYSA-N 462.615 6.913 50 10 JKGE COc1ccc(-c2csc(C(C#N)=C(O)COc3cc(C)c(Cl)c(C)c3)n2)c(OC)c1OC 2331412824 KIHMGIWIESRHJW-UHFFFAOYSA-N 486.977 5.978 50 10 JKGE C[C@@H]1C[C@H]([C@H](Br)c2c(Cl)cc(Br)c(F)c2Br)CCO1 2337085911 FOKGNUXFWYQYOG-AMXGMDGSSA-N 479.409 6.255 50 10 JKGE Cc1cc(Cl)c(Cl)cc1[C@H](Br)c1c(Br)c(Br)nn1C 2338694634 RWDPLZDTKNWHDN-VIFPVBQESA-N 491.836 6.045 50 10 JKGE Cc1cccc([C@H](Br)c2c(C)cc(Br)c(F)c2Br)c1 2339645603 JOCKDVKCHHXVFI-ZDUSSCGKSA-N 450.971 6.452 50 10 JKGE Clc1ccc([C@H](Br)c2ccc(C3CCC3)s2)c(I)c1 2340065891 NDZQFHXNNKHWPI-HNNXBMFYSA-N 467.597 6.758 50 10 JKGE Cc1scc([C@H](Br)c2cc(Br)cc3c2OCC3)c1Br 2343554806 BRBIXCWFSXKQAR-CYBMUJFWSA-N 467.020 6.001 50 10 JKGE COc1c(F)cc([C@@H](Br)c2cc(Br)c(Br)s2)cc1F 2344312631 PYJPNJPUCGCFHR-SNVBAGLBSA-N 476.962 6.044 50 10 JKGE Clc1ccc(I)cc1CN1[C@H]2CCC[C@H]1CC(Br)C2 2352412259 ZYBOXIOEMXVGBQ-KBPBESRZSA-N 454.577 5.225 50 10 JKGE C[C@H]1C[C@H]([C@@H](Br)c2c(Cl)cc(Br)c(F)c2Br)C[C@@H](C)O1 2362227065 ZORLFAUTPAAKQV-BSFVXNEUSA-N 493.436 6.644 50 10 JKGE Clc1ccc(CN2C[C@H](Br)C[C@H]3CCCC[C@@H]32)cc1I 2362367921 HYMZLHDOPKQEMR-IOASZLSFSA-N 468.604 5.473 50 10 JKGE COc1cc(Cl)c(CBr)c(N2C[C@H](C)N(Cc3ccccc3)[C@@H](C)[C@@H]2C)c1 2365814666 GFQNNKDVUMLIFW-ULQDDVLXSA-N 451.836 5.731 50 10 JKGE Cc1cc([C@@H](Br)c2cc3c(cc2Br)OCCC3)oc1Br 2369619681 WIGUMBGCUQOZGA-AWEZNQCLSA-N 464.979 5.922 50 10 JKGE COc1c(F)cc([C@@H](Br)c2cccc(C)c2I)cc1F 2370438542 XNPICANWJGTGGL-CYBMUJFWSA-N 453.064 5.371 50 10 JKGE C[C@@]1(NC(=O)c2cc(Br)c(Br)s2)C[C@H]2CC[C@H]1C[C@@H]2Br 2380891366 HUOURQAUKJUYKD-LVAGBLAWSA-N 486.067 5.345 50 10 JKGE COc1ccc([C@H](C(=O)NCCc2ccccc2)N(Cc2ccccc2Cl)C(=O)CCl)cc1 3039723 UUPAQMHGVZXYCU-RUZDIDTESA-N 485.411 5.016 50 10 JKGE C/C(CCc1ccc2c(c1)OCO2)=N\NC(=O)c1ccc(CN2C(=O)c3cccc4cccc2c34)cc1 12311436 UWQYJDNWCVVGSS-ZCTHSVRISA-N 491.547 5.467 50 10 JKGE CCCCCOc1ccccc1C(=O)NNC(=O)COc1ccc(C(C)(C)C)cc1Br 14035845 HRFQIGHBDBUHHX-UHFFFAOYSA-N 491.426 5.156 50 10 JKGE Cc1cccc(C(=O)Nc2ccc(C(=O)NNC(=O)[C@@H](C)Oc3ccc(-c4ccccc4)cc3)cc2)c1 14038637 QICCNGAMMQHYIN-OAQYLSRUSA-N 493.563 5.143 50 10 JKGE Cc1c(Br)cc(NCC(=O)N/N=C\c2ccc(Cl)cc2Cl)cc1Br 33154847 RIMZJFRYCJZEBV-HOEBFWFUSA-N 494.014 5.389 50 10 JKGE CCOC(=O)/C(C#N)=C\c1ccc(OC(=O)/C(=C\c2ccccc2)c2ccccc2)c(OCC)c1 33378278 WDUPRWWBTSXOHB-FXKBRRNPSA-N 467.521 5.702 50 10 JKGE Cc1ccc(-c2ccc(/C=C(/C#N)C(=O)Nc3ccccc3I)o2)c([N+](=O)[O-])c1 33382464 FQIFZKIXFXVHET-KAMYIIQDSA-N 499.264 5.314 50 10 JKGE Cc1ccc(NC(=O)/C(C#N)=C2/S[C@@H](Cc3cccc(C)c3)C(=O)N2c2ccc(C)cc2)cc1 33498876 NQBPTIVULNHHNO-CHTIKVTKSA-N 467.594 5.677 50 10 JKGE N#C/C(=C/c1cn(-c2ccccc2)nc1-c1cccc([N+](=O)[O-])c1)c1nc(O)c2ccccc2n1 34983725 AIEHMSARRTVEML-AQTBWJFISA-N 460.453 5.160 50 10 JKGE CCSc1ccc(-c2nn(-c3ccccc3)cc2/C=C2/C(=O)N(CC(C)C)C(=O)C(C#N)=C2C)cc1 38605560 CVXLNBXIHVTSBJ-MFKUBSTISA-N 496.636 5.900 50 10 JKGE CCCCOc1ccc(C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@@H]3c2ccccc2OC)cc1 38650025 OUVVFPZEMYYTOS-AREMUKBSSA-N 470.525 5.311 50 10 JKGE CCOc1ccccc1[C@@H]1C(C#N)=C(N)Oc2cc(OC(=O)c3ccc(OCC(C)C)cc3)ccc21 38650522 ZLQGTVLPVKLUPS-MHZLTWQESA-N 484.552 5.557 50 10 JKGE C[C@H](Oc1ccc(F)cc1)C(=O)Oc1ccc2c(c1)OC(N)=C(C#N)[C@@H]2c1ccc(Cl)c(Cl)c1 38655913 RYKCTKMTXWJYRF-ZAMGYDSWSA-N 499.325 5.724 50 10 JKGE CCCOc1cccc(C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@H]3c2cccc3ccccc23)c1 38657887 XYYBTLLHBVZQRW-NDEPHWFRSA-N 476.532 6.066 50 10 JKGE CCOc1ccccc1C(=O)Oc1ccc2c(c1)OC(N)=C(C#N)[C@@H]2c1c(Cl)cccc1Cl 38680032 ROJWABRYDWLBSJ-JOCHJYFZSA-N 481.335 5.829 50 10 JKGE CCCCC1CCC(C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@H]3c2ccc(CC)cc2)CC1 38700462 UFAVLPDJSVJHEM-RIQBOWGZSA-N 458.602 6.369 50 10 JKGE O=C(COc1ccc(Cl)cc1Cl)N/N=C1\C(=O)N(Cc2ccc(Cl)cc2)c2ccccc21 40840338 WAQDPVBUWKJHOY-SLMZUGIISA-N 488.758 5.093 50 10 JKGE CCCCNC(=O)/C(C#N)=C/c1ccc(OC(=O)CCCOc2ccc(C(C)(C)C)cc2)cc1 40990099 QDZPNFUQIMJGOR-ZBJSNUHESA-N 462.590 5.572 50 10 JKGE Cc1nn(Cc2ccccc2)c(C)c1/C=N/NC(=O)COc1ccc(C(C)(C)c2ccccc2)cc1 59147553 CEKSOUBMYNBHDW-ZCTHSVRISA-N 480.612 5.403 50 10 JKGE O=C(N/N=C/c1ccc(Br)cc1)c1ccc([C@@H]2Nc3ccccc3[C@@H]3C=CC[C@H]32)cc1 59471571 KVDXIYHAWLBVSG-BBKDBMIDSA-N 472.386 6.040 50 10 JKGE Cc1ccc(-c2ccc(/C=N/NC(=O)c3cccc(C(F)(F)F)c3)o2)c(Br)c1 59533338 ZUHMSNMRCDGBPB-OPEKNORGSA-N 451.242 5.800 50 10 JKGE COc1cc(/C=C2/C(=O)N([C@H](C)c3ccccc3)C(=O)C(C#N)=C2C)ccc1OCc1ccccc1 101337856 XKCIUMCUKXFLNQ-NSRYLYFRSA-N 478.548 5.628 50 10 JKGE CCOc1cc(/C=C(/C#N)C(=O)NCc2ccco2)ccc1OCCOc1ccccc1Cl 101398207 IRRRGELRTBFTFX-RGEXLXHISA-N 466.921 5.013 50 10 JKGE CCCCCCCCCN1C=C/C(=C\C(C#N)=C2C(=O)c3ccccc3C2=O)c2ccccc21 103977837 KUHKRMPCHBTMSI-LSDHQDQOSA-N 450.582 7.054 50 10 JKGE BrCC(CBr)(Cc1ccccc1)Cc1ccc(Br)s1 118669636 QCDJGZXPIJYWBD-UHFFFAOYSA-N 467.064 6.072 50 10 JKGE Clc1ccc(C(CBr)(CBr)Cc2ccccc2Br)cc1 118876996 COXCZUBKODHJPN-UHFFFAOYSA-N 481.453 6.373 50 10 JKGE CCCCCCCCCCC[C@@H](Br)c1cc(Br)c(Br)s1 128294542 UGCMJUJYENJQIM-CYBMUJFWSA-N 489.155 8.630 50 10 JKGE C[C@@H]1COc2ccc([C@H](Br)c3cc(Br)c(Br)s3)cc2OC1 128566156 DONQUQUGWHSUJJ-CLAHSXSESA-N 497.046 6.165 50 10 JKGE COc1ccc(CO[C@](C)(CI)c2ccccc2Br)cc1 162237429 FKBZJZRSPJODCC-QGZVFWFLSA-N 461.137 5.325 50 10 JKGE C[C@@]12CC3CC(C(=O)N/N=C/c4c(O)ccc5cc(Br)ccc45)(C1)C[C@](C)(C3)C2 169889358 QXFZKYIAQYJZBC-ZRUDKLHHSA-N 455.396 5.755 50 10 JKGE C[C@@H]1CCCC[C@H]1NC(=O)[C@H](c1ccccc1Cl)N(CCc1ccccc1Cl)C(=O)CCl 195523611 FUADBYKFTGCKPV-BSDZUQITSA-N 495.878 6.040 50 10 JKGE CCCOc1ccc(/C=N/NC(=O)COc2ccc(C(C)(C)CC(C)(C)C)cc2)cc1OC 206175253 XKJQGMMVVXAYQB-OGLMXYFKSA-N 454.611 5.727 50 10 JKGE CCc1ccc([C@@H](C)NC(=O)/C(C#N)=C\Nc2cc(C(F)(F)F)cc(C(F)(F)F)c2)cc1 217197493 WUJOWBFKTDQMNK-OPCAMPFDSA-N 455.402 5.983 50 10 JKGE N#C/C(=C/Nc1ccccc1Sc1ccccc1)C(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1 217228689 IAOREKFRMHCSIF-PFONDFGASA-N 450.907 5.857 50 10 JKGE CC(C)(CCCBr)CNC(=O)c1cc(Br)ccc1Br 227925426 MXCKTOMQGVXHSX-UHFFFAOYSA-N 456.016 5.143 50 10 JKGE Cc1cc(C(F)(F)F)nc(SCc2ccc(C(=O)NN=Cc3ccc(C(C)C)cc3)o2)n1 252594865 BWBGVEPIEOJONY-UHFFFAOYSA-N 462.497 5.576 50 10 JKGE CCOc1cc(C(=O)NN=C(C)c2cccc(NC(=O)C3CCCCC3)c2)cc(OCC)c1OCC 252617737 KZDAZCPGHZDKHD-UHFFFAOYSA-N 495.620 5.556 50 10 JKGE CCOc1ccc(-n2c(SCC(=O)NN=Cc3c[nH]c4ccccc34)nnc2-c2ccccc2)cc1 254508001 WUKZUXQQBCAJDS-UHFFFAOYSA-N 496.596 5.057 50 10 JKGE Cc1ccc([C@@H]2C(C=NNC(=O)c3ccc([N+](=O)[O-])o3)=C(c3ccccc3)Oc3ccccc32)cc1 254711267 LAPDQDCLTYTLDY-SANMLTNESA-N 479.492 5.848 50 10 JKGE CC(C)(C)c1ccc(C=NNC(=O)/C(=C/C=C/c2ccccc2)NC(=O)c2ccccc2)cc1 263627319 BQVVILNBHUWDDS-ZMWGSZSNSA-N 451.570 5.462 50 10 JKGE Cc1ccc(Br)cc1CC(CBr)(CBr)C1CCCC1 313705692 QFKIHAZXDJGMGP-UHFFFAOYSA-N 453.056 6.266 50 10 JKGE O=C(OCc1ccccc1)N1C[C@H](CBr)[C@H](c2ccc(Br)cc2)C1 382732071 UZCLACVGROIGEO-WMZOPIPTSA-N 453.174 5.196 50 10 JKGE C[C@H](Cl)c1nc2cc(I)ccc2n1[C@@H]1CN(Cc2ccccc2)C[C@H]1C 389783411 JRCLMNMSHLPGRZ-QEEYODRMSA-N 479.793 5.634 50 10 JKGE CC(C)(C)[Si](C)(C)OCc1cccc([C@H]2CCCCN(S(=O)(=O)c3ccccc3)C2)c1 616626954 FBTGONWEAWLENH-QHCPKHFHSA-N 459.728 6.167 50 10 JKGE CN(C)C(=O)/C(C#N)=C/c1ccc(OCc2ccc3ccccc3c2)c(I)c1 1084131896 FIAVJFHNJZRYPT-RGVLZGJSSA-N 482.321 5.019 50 10 JKGE C=CCc1cc(C=NNC(=O)c2cc3cc(Br)ccc3o2)cc(Br)c1OC 1084193186 WHCWBOBKAIJZAF-UHFFFAOYSA-N 492.167 5.459 50 10 JKGE O=C(NN=Cc1ccc(OCc2ccc(Cl)cc2Cl)cc1)c1ccccc1-n1cccc1 1084196154 LORNJEFKGSVIKW-UHFFFAOYSA-N 464.352 6.127 50 10 JKGE CO[C@@H](C(=O)NN=C(C)c1ccc2c(c1)[C@@H]1C=CC[C@@H]1[C@H](c1ccccc1Cl)N2)c1ccccc1 1084237113 FFYPURKZNPGNGM-JGZRHYTASA-N 486.015 6.394 50 10 JKGE O=C(CC[C@@H](O)c1ccccc1)NN=Cc1ccc(-c2ccc(Br)c(Cl)c2)o1 1084568915 HMRJQQPSULNDQL-LJQANCHMSA-N 461.743 5.326 50 10 JKGE CCCCCCOc1ccc(C=NNC(=O)COc2ccc(C(C)(C)c3ccccc3)cc2)cc1 1772754122 OTBJLIOWZXDDBJ-UHFFFAOYSA-N 472.629 6.501 50 10 JKGE COc1cc(C=NNC(=O)COc2ccc(C(C)(C)C)cc2)ccc1OCCc1ccccc1 1772754604 ZTYWQAKFHKUVSE-UHFFFAOYSA-N 460.574 5.143 50 10 JKGE N#CSc1ccc(NC(=O)Nc2ncccc2OCC(=O)Nc2ccc(Br)cc2)cc1 1858831546 WQPDSHSTDZEWOK-UHFFFAOYSA-N 498.362 5.079 50 10 JKGE CCc1nn(Cc2cccc(Cl)c2)c2c1[C@H](c1c(OC)ccc3ccccc13)C(C#N)=C(N)O2 1865688576 VLDPALGKVOAMOG-DEOSSOPVSA-N 470.960 5.527 50 10 JKGE Cc1ccc(COc2ccc([C@@H]3C(C#N)=C(N)Oc4c3c(-c3ccccc3)nn4CC(C)C)cc2)cc1 1865692778 IDPKKYJMFONIRF-HHHXNRCGSA-N 490.607 6.312 50 10 JKGE CCOc1c(OC)cccc1[C@@H]1C(C#N)=C(N)Oc2c1c(-c1ccccc1)nn2Cc1ccc(F)cc1 1865694427 YCLRVKIOEWGBRF-XMMPIXPASA-N 496.542 5.363 50 10 JKGE Cc1ccc(-n2nc(C)c3c2OC(N)=C(C#N)[C@@H]3c2ccc(OCc3ccc(Cl)cc3)cc2)cc1 1865695491 OWTZVBDBOOBLIX-SANMLTNESA-N 482.971 5.940 50 10 JKGE COc1ccc(-c2nn(Cc3ccccc3F)c3c2[C@H](c2sccc2C)C(C#N)=C(N)O3)cc1 1865698999 ICWZCZBYTWHAKJ-OAQYLSRUSA-N 472.545 5.334 50 10 JKGE COc1ccc(-c2nn(-c3ccc(Cl)c(Cl)c3)c3c2[C@H](c2ccccn2)C(C#N)=C(N)O3)cc1 1865699808 CWNRSAOCBQRMKS-NRFANRHFSA-N 490.350 5.468 50 10 JKGE CCOc1cc([C@H]2C(C#N)=C(N)Oc3c2c(C)nn3C)ccc1OCc1c(Cl)cccc1Cl 1865702749 DMKRVDGEWJILHT-QFIPXVFZSA-N 485.371 5.231 50 10 JKGE CCCc1nn(Cc2ccc(Cl)c(Cl)c2)c2c1[C@H](c1ccc(C(=O)O)cc1)C(C#N)=C(N)O2 1865709327 UONWFDHLSCISQI-HXUWFJFHSA-N 483.355 5.107 50 10 JKGE COc1ccc(-c2nn(-c3ccc(Cl)cc3)c3c2[C@@H](c2ccccc2OC)C(C#N)=C(N)O3)cc1 1865709561 CRADSNJBMNLRFD-QHCPKHFHSA-N 484.943 5.428 50 10 JKGE COc1cc(/C=C/C(=O)Nc2nnc(CCl)s2)ccc1OCc1ccc(Cl)cc1 1865906516 RQVMWXJRVGBGQA-WEVVVXLNSA-N 450.347 5.170 50 10 JKGE CCOC(=O)c1c(NC(=O)/C(C#N)=C/c2ccc(OC)cc2)sc(C(=O)OC2CCCCC2)c1C 1866126610 BQFLIBHQAGEFLG-NBVRZTHBSA-N 496.585 5.277 50 10 JKGE N#C/C(=C\c1cccc(Br)c1)C(=O)NCC1(c2ccc(Cl)cc2Cl)CC1 1866130911 SCTFKQWCOXNKJW-RIYZIHGNSA-N 450.163 5.511 50 10 JKGE CC(C)[C@H]1c2ccccc2CCN1c1cc(Nc2ccc(SC#N)cc2)nc(Cc2ccccc2)n1 1868208272 YFOVEEKZZHGVMD-PMERELPUSA-N 491.664 7.144 50 10 JKGE CC(C)(C)c1ccc(-c2nc(Nc3ccc(SC#N)cc3)cc(N3CC[C@@H](c4ccco4)C3)n2)cc1 1868545138 SFGNJGXHVJQNKC-OAQYLSRUSA-N 495.652 7.345 50 10 JKGE COc1cc(/C=C/C(O)=C(\C#N)c2nc(-c3ccc(C)cc3)cs2)cc(Br)c1OC 1872749188 GLOJCNLRGQTPEN-QOUZIFTOSA-N 483.387 6.404 50 10 JKGE CC(C)C[C@@H](/C(O)=C(\C#N)c1nc(-c2ccc(F)cc2)cs1)N1C(=O)c2ccccc2C1=O 1872751768 FJFSZYKSKGCMJT-NNWMPZTLSA-N 461.518 5.453 50 10 JKGE COc1ccc(-c2csc(/C(C#N)=C(\O)COc3ccc(OC)cc3C(C)(C)C)n2)c(OC)c1 1872755235 DSOWSBPWDAXNHG-QOCHGBHMSA-N 480.586 6.005 50 10 JKGE N#C/C(=C(O)\C=C\c1ccc(OCc2ccccc2)cc1)c1nc(-c2ccc(Cl)s2)cs1 1872758139 MXWKDZGMUZDKGV-VPRJXVDDSA-N 477.010 7.610 50 10 JKGE N#C/C(=C\c1ccc(OC(=O)c2ccccc2)cc1)c1nc(-c2ccc(Br)cc2)cs1 1872780796 LUAJRYBCHUJKKW-XSFVSMFZSA-N 487.378 6.856 50 10 JKGE CCc1cccc(C)c1N1C[C@H](/C(O)=C(\C#N)c2nc(-c3cc(C)ccc3OC)cs2)CC1=O 1873920851 LAJUBJJWZSSNIK-LDIFMVGESA-N 473.598 5.844 50 10 JKGE COc1ccc(OC)c(-c2csc(/C(C#N)=C(\O)c3c(Cl)ccc(Cl)c3OC)n2)c1 1873921042 QZIGMYNHKANHFF-UYRXBGFRSA-N 463.342 6.093 50 10 JKGE N#C/C(=C(/O)c1cc([N+](=O)[O-])ccc1Cl)c1nc(-c2ccc(-c3ccccc3)cc2)cs1 1873940996 QXTXFRMFFBGTEA-ATJXCDBQSA-N 459.914 6.989 50 10 JKGE CC[C@H](Cl)CN(Cc1ccccc1)S(=O)(=O)c1c(C)sc(C)c1Br 1915110605 OOAMEAIQXKUHAN-HNNXBMFYSA-N 450.851 5.336 50 10 JKGE O=C(c1cc(F)cc(Br)c1)N(Cc1ccccc1)C1(CBr)CCC1 1915757155 VIOJPPUNQIGIPT-UHFFFAOYSA-N 455.165 5.548 50 10 JKGE Cl[C@@H](c1ccc(OCc2ccccc2)cc1)c1sc(Br)cc1Br 1922889409 YKMPSCPGORSRHF-KRWDZBQOSA-N 472.629 7.180 50 10 JKGE CC(C)(C(F)F)[C@@H](Br)c1c(Br)sc(Br)c1Cl 1923037028 AMXPHWLKCGPVGQ-YFKPBYRVSA-N 461.391 6.654 50 10 JKGE Fc1ccc(Cl)cc1[C@H](Cl)c1c(Br)sc(Br)c1Cl 1923038297 IQTFWLHDEQWAHS-QMMMGPOBSA-N 453.385 7.047 50 10 JKGE Clc1sc(Br)c(Cl)c1[C@H](Br)c1ccc(Br)o1 1925567373 BUMNVBJULWQYSD-ZCFIWIBFSA-N 469.807 6.657 50 10 JKGE FC1(F)[C@H]([C@H](Br)c2cc(Br)sc2Br)C12CCC2 1944839384 JUQQOCLMKGTJIF-HTQZYQBOSA-N 450.968 6.145 50 10 JKGE Clc1cc(Br)c([C@H](Br)c2cccc(Br)c2Cl)s1 1948822738 HBTHADCHVJTZSB-SECBINFHSA-N 479.846 7.064 50 10 JKGE Cc1c(Br)sc([C@H](Cl)c2cc(Cl)c(Cl)s2)c1Br 1950178135 QPGUYTACKMKXRM-SSDOTTSWSA-N 455.451 7.278 50 10 JKGE Cc1sc(Br)c([C@H](Cl)c2csc(Br)c2Br)c1C 2024017663 JYAOOXTVCOMYDR-SECBINFHSA-N 479.484 7.042 50 10 JKGE FC(F)(F)C1([C@H](Br)c2cc(Br)ccc2Br)CCC1 2027669300 UYNFEMSXJACXIJ-SNVBAGLBSA-N 450.918 6.380 50 10 JKGE CCc1cc(Br)c([C@@H](Br)Cc2ccc(Br)cc2)s1 2029232285 GUYVWYXUTYEWAR-LBPRGKRZSA-N 453.037 6.514 50 10 JKGE COc1ccc([C@H](Br)c2sc(Br)cc2Br)cc1Cl 2044957747 CJOKMYWAYLLPCQ-NSHDSACASA-N 475.427 6.419 50 10 JKGE Cc1cc(Br)c(CBr)c(Oc2cccc(OCc3ccccc3)c2)c1 2053212104 JKYWJWQHWZFPDH-UHFFFAOYSA-N 462.181 7.024 50 10 JKGE CC1(C)CCC[C@@H]([C@@H](Cl)c2c(Br)sc(Br)c2Br)CC1 2100838839 NZUARLXPNVADLO-LDYMZIIASA-N 493.530 7.922 50 10 JKGE Brc1ccc(Br)c(CN2C[C@@H]3CCC[C@H](Br)[C@H]3C2)c1 2118525558 VNTQLDTYUCVKTL-XEGUGMAKSA-N 452.028 5.207 50 10 JKGE CO[C@H]1CC[C@H](C(CBr)(CBr)c2ccccc2Br)C1 2130621230 OHHFVZWOLYYNHG-RYUDHWBXSA-N 455.028 5.292 50 10 JKGE Cc1c(Br)ccc([C@H](Cl)c2ccc(F)cc2Br)c1Br 2138867076 WKYGERVHVLSMSU-CQSZACIVSA-N 471.389 6.750 50 10 JKGE Fc1cc(Cl)c([C@H](Cl)c2cc(I)ccc2Br)cc1Cl 2139422940 AJHRUAFPXXSRBC-CYBMUJFWSA-N 494.356 6.828 50 10 JKGE COc1cc(F)c(F)cc1[C@H](Br)c1scc(Br)c1Br 2139643055 MPEPOWHXPMGZFU-JTQLQIEISA-N 476.962 6.044 50 10 JKGE Fc1cccc(Br)c1[C@@H](Br)c1cc(Br)c2c(c1)CCO2 2146628706 OYPGJJZZTJXUHP-AWEZNQCLSA-N 464.954 5.770 50 10 JKGE O=C(c1scc(Br)c1Br)N1CC[C@@](CBr)(C(F)(F)F)C1 2167688087 NZYWFOVATFKHRH-JTQLQIEISA-N 499.972 5.063 50 10 JKGE CN(C[C@H](Cl)COCc1ccccc1)C(=O)c1cc(Br)cc(C(F)(F)F)c1 2172407376 FSRSOMPEWJJPCC-KRWDZBQOSA-N 464.709 5.364 50 10 JKGE Cc1cc(Br)c([C@H](Br)c2ccc(C(F)F)cc2)cc1Br 2172646408 NDJUMVCHVCKJIV-CQSZACIVSA-N 468.961 6.942 50 10 JKGE CC(C)(C)OC(=O)N1CCN(CC2(CBr)CCCCCC2)[C@@H](C(F)(F)F)C1 2186686147 ZTAXREIIEOQKQX-OAHLLOKOSA-N 457.375 5.206 50 10 JKGE Brc1ccc(Br)c([C@H](Br)[C@@H]2C[C@@H]2C2CCCCCC2)c1 2199986186 DZICBRPAHYSMQZ-CKEIUWERSA-N 465.067 7.254 50 10 JKGE Cc1c(Br)ccc([C@@H](Br)C2Cc3ccccc3C2)c1Br 2203688871 WBYIKHTVYQYZSU-KRWDZBQOSA-N 459.019 6.371 50 10 JKGE Cc1c(Br)ccc([C@H](Br)[C@H]2CC3(CCCC3)CO2)c1Br 2203703521 IYLQFAWPJHFUCL-HIFRSBDPSA-N 467.039 6.305 50 10 JKGE C[C@@H](CCBr)N(Cc1ccccc1)c1ncc(C(F)(F)F)cc1Br 2217408777 KGEKVKNCWBSTGT-LBPRGKRZSA-N 466.139 6.043 50 10 JKGE CN(C[C@@H](Br)COCc1ccccc1)C(=O)Cc1ccc(Br)cc1Cl 2221700623 UYTHIESUDWZBQG-QGZVFWFLSA-N 489.635 5.084 50 10 JKGE Clc1csc([C@@H](Cl)c2c(Br)cc(Cl)c(Cl)c2Cl)c1Cl 2224320152 HSEDEZUZOGKRTJ-JTQLQIEISA-N 459.834 8.106 50 10 JKGE Fc1cc(Br)c(Br)cc1[C@H](Br)[C@@H]1CC12CCOCC2 2225636008 YVPLSFIMTCTYOE-ZANVPECISA-N 456.975 5.603 50 10 JKGE Cc1cc(Br)c([C@H](Br)[C@@H]2CCCC[C@H]2C)c(C)c1Br 2227360850 XHVJBXBKOIWOOS-VYROHLMNSA-N 453.056 7.091 50 10 JKGE C[C@]1(Cn2c(CCl)nc3c(F)cc(Br)cc32)CCN(Cc2ccccc2)C1 2232923354 MINUTFVIJPVBSK-NRFANRHFSA-N 450.783 5.589 50 10 JKGE Fc1cc(Br)c(Br)cc1[C@H](Br)[C@H]1C[C@H]1C1CCOCC1 2233975918 MFUPCVMNYPGBQA-AMJWSMQMSA-N 471.002 5.849 50 10 JKGE Cc1cc(Br)c([C@@H](Br)Cc2ccc(Cl)cc2)c(C)c1Br 2235603575 JYAIATYNVNTLOM-AWEZNQCLSA-N 481.453 7.161 50 10 JKGE Cc1nscc1C[C@@H](Br)c1cc(Br)ccc1I 2246949253 BWLSXJWIIUHELR-LLVKDONJSA-N 486.998 5.497 50 10 JKGE CC(C)(CCl)N(Cc1ccccc1)C(=O)Cc1cc(Br)cc(Br)c1 2252804491 YBPIQZLDBXBKOP-UHFFFAOYSA-N 473.636 5.800 50 10 JKGE CCc1cc([C@H](Cl)c2cc(I)ccc2F)sc1Br 2255974537 OVBSYZICOUDKQX-GFCCVEGCSA-N 459.549 6.145 50 10 JKGE CCc1cc([C@H](Cl)c2ccc(F)cc2I)sc1Br 2255989067 POEJBTYZYROEAR-GFCCVEGCSA-N 459.549 6.145 50 10 JKGE CCC(F)(F)C[C@@H](Br)c1c(F)cc(Br)c(F)c1Br 2260000072 WVELNHGHNCQARI-ZCFIWIBFSA-N 456.897 6.361 50 10 JKGE COc1ccc(Oc2cc(I)ccc2Cl)c(CBr)c1 2272638157 CDKDFOHEFGBYPZ-UHFFFAOYSA-N 453.501 5.640 50 10 JKGE C[C@@H]1CCC[C@]12[C@@H](Br)C[C@@H]2Oc1cc(I)ccc1Cl 2272639813 VFYMWBSBKYBTAH-JUTUQKRISA-N 455.561 5.666 50 10 JKGE CC[C@@H]1OCC[C@@H]1[C@H](Br)c1c(F)cc(Br)c(F)c1Br 2272737296 BSQCHDBNYAIVJT-IHBFAXJASA-N 462.954 5.741 50 10 JKGE CCc1nc([C@H](Br)c2cc(Cl)c(Cl)cc2OC)c(Br)s1 2279052089 KCYPNUARAIWEFJ-LLVKDONJSA-N 460.018 6.268 50 10 JKGE COc1c([C@@H](Cl)c2c(C)c(Br)cc(C)c2Br)csc1Cl 2284306969 YGGNCSJBSVOFLB-GFCCVEGCSA-N 459.030 6.880 50 10 JKGE Fc1cc(Br)c(F)c(Br)c1[C@@H](Cl)CC(F)(F)C(F)(F)F 2288373091 FJINQCZXLFOPMH-BYPYZUCNSA-N 452.389 6.357 50 10 JKGE COc1cccc(NC(=O)C(C#N)=Cc2c(OCc3ccccc3C#N)ccc3ccccc23)c1 2294143806 JXRKKOREDQQQIG-UHFFFAOYSA-N 459.505 5.845 50 10 JKGE COc1cc(C=C(C#N)C(=O)Nc2ccc(C)cc2)c(Br)cc1OCc1ccccc1 2294619988 YDVSICGPOYZXRU-UHFFFAOYSA-N 477.358 5.891 50 10 JKGE CC1(C)[C@H]2CC[C@@H](C2)[C@@H]1[C@H](Br)Cc1cc(Br)cc(Br)c1 2295336214 STDWPUQUPBPKDM-YXAMBPQSSA-N 465.067 6.590 50 10 JKGE COc1ccc(-c2nn(Cc3ccccc3)cc2C=C(C#N)C(=O)Nc2cccc(C(C)=O)c2)cc1 2295672623 CHGUTIAVEQZMNY-UHFFFAOYSA-N 476.536 5.355 50 10 JKGE CCCSc1ccc(-c2nn(-c3ccccc3)cc2C=C(C#N)c2nc(O)c3ccccc3n2)cc1 2296559543 PMAJQYYDANNPTQ-UHFFFAOYSA-N 489.604 6.754 50 10 JKGE COc1ccc(Cl)cc1NC=C(C#N)c1nc(-c2cc3cc([N+](=O)[O-])ccc3oc2=O)cs1 2296790136 QWVGQUMJHWJWRL-UHFFFAOYSA-N 480.889 5.463 50 10 JKGE CC12COC([C@@H](Br)c3cc(Br)ccc3OCc3ccccc3)(C1)C2 2299491676 AODWTUMSMHHCOR-HDYDNRTBSA-N 452.186 6.033 50 10 JKGE CC(F)(F)CCC[C@H](Br)c1cc(Br)ccc1OCc1ccccc1 2299499582 YROYGIWQPZNTIV-KRWDZBQOSA-N 462.172 7.290 50 10 JKGE C[C@@H]1CCCC[C@@H]1[C@H](Br)c1ccc(OCc2ccccc2)cc1Br 2299504901 RCXGGPWBFOFUBN-YWMUFLPLSA-N 452.230 7.290 50 10 JKGE COC[C@]1(C)C[C@@H]1[C@H](Br)c1ccc(OCc2ccccc2)cc1Br 2299524827 HYQIUMSWUFGICP-RLLQIKCJSA-N 454.202 6.137 50 10 JKGE Cc1sc(Br)cc1[C@@H](Cl)c1ccc(Cl)cc1I 2301797757 BDSPXYPGZXOPTI-LBPRGKRZSA-N 461.977 6.405 50 10 JKGE Brc1cc(C[C@H]2CCCCC[C@@H]2Br)ccc1I 2306215977 AHLYQUMYEIJKEN-NEPJUHHUSA-N 472.002 5.940 50 10 JKGE Cc1cc(C=C(C#N)C(=O)N2CCN(c3ccccc3)CC2)c(C)n1-c1cc(Cl)ccc1Cl 2313568144 SCWWFXNANYZLRP-UHFFFAOYSA-N 479.411 5.657 50 10 JKGE Cc1cccc(NC(=O)C(C#N)=Cc2ccccc2OCc2ccc(Cl)c(Cl)c2)c1C 2313667283 JSLKXTDAZNCGAA-UHFFFAOYSA-N 451.353 6.735 50 10 JKGE FC1(F)[C@@H]2CC[C@@H]([C@@H](Br)c3ccc(OCc4ccccc4)cc3Br)[C@@H]21 2314439340 GSPSZTOLPIFURF-FPAYPSAMSA-N 472.167 6.755 50 10 JKGE Brc1cc(OCc2ccccc2)ccc1[C@@H](Br)c1cc2sccc2s1 2314439530 IGNYHFWRSBDCAD-HXUWFJFHSA-N 494.273 7.789 50 10 JKGE CC1(C)CCC[C@@H]([C@@H](Br)c2cc(Br)ccc2OCc2ccccc2)C1 2314440228 NRINWCPBCJEXQH-DYESRHJHSA-N 466.257 7.681 50 10 JKGE COc1ccccc1NC(=O)C(C#N)=C1S[C@H](Cc2ccccc2)C(=O)N1c1ccc(C)c(C)c1 2314591716 BWXOKZGVMAVUNY-RUZDIDTESA-N 483.593 5.377 50 10 JKGE CCCCCOc1ccc(C=C2C(=O)N([C@H](C)c3ccccc3)C(=O)C(C#N)=C2C)cc1OCC 2314617790 AUGUAKZUETXBMP-OAQYLSRUSA-N 472.585 6.008 50 10 JKGE CCOC(=O)c1c(-c2ccc(CC)cc2)csc1NC(=O)C(C#N)=Cc1ccccc1OC 2314753561 BBTZDYRSLSAMDM-UHFFFAOYSA-N 460.555 5.708 50 10 JKGE COc1ccc(CC(=O)N(Cc2ccccc2)C(C)(C)CBr)c(Br)c1 2316807112 LDXGHSROEHSTSB-UHFFFAOYSA-N 469.217 5.203 50 10 JKGE ClCc1ccc(Oc2cc(Br)cc(I)c2)c(Cl)c1 2316848293 ZJTUXRCAXNZBSS-UHFFFAOYSA-N 457.920 6.238 50 10 JKGE CCOc1ccc(C)cc1[C@H](C)NC(=O)C(C#N)=CN(Cc1ccccc1)Cc1ccccc1 2325072442 ACIOXSMAVHIJRD-QHCPKHFHSA-N 453.586 5.681 50 10 JKGE C[C@@H](Br)C[C@H]1CCCN1Cc1ccc(I)c(Br)c1 2325221086 DMNXYPMPVLJSCC-ZYHUDNBSSA-N 487.017 5.192 50 10 JKGE COC(=O)c1c(NC(=O)C(C#N)=Cc2ccc(OC)c(OC)c2)sc(C)c1-c1ccc(C)c(C)c1 2329703145 FNEWOSNEKOSDRT-UHFFFAOYSA-N 490.581 5.690 50 10 JKGE CCCc1ccc([C@H](Br)c2cc(Br)ccc2OCc2ccccc2)cc1 2336044521 OTIYQTXUXCPIGW-QHCPKHFHSA-N 474.236 7.465 50 10 JKGE CCCc1sc(Br)cc1[C@H](Br)Cc1ccc(Br)cc1 2338023093 CTWZOGXSVTUVBC-CYBMUJFWSA-N 467.064 6.904 50 10 JKGE COc1ccc(C[C@H](CBr)Cc2sccc2I)cc1 2338638858 WQKQTQWCAIQNTG-LBPRGKRZSA-N 451.167 5.158 50 10 JKGE CC(C)c1cn(-c2c(CBr)ccc(Br)c2Cl)c(Br)n1 2344654250 XAFHQFICCCHAAG-UHFFFAOYSA-N 471.418 6.069 50 10 JKGE Clc1ccc(C[C@H](CBr)CCc2ccccc2)cc1I 2362374342 XOQJDRMYNGKOBV-OAHLLOKOSA-N 463.584 6.131 50 10 JKGE COc1c(Br)cc(C)c([C@H](Br)[C@H]2C[C@H]2C(F)(F)F)c1Br 2365191178 LUDWBIUCKIWYFD-NYNCVSEMSA-N 480.944 6.163 50 10 JKGE Cc1cc(Br)c(F)c(Br)c1[C@@H](Br)[C@H]1CC[C@@H]2[C@H]1C2(F)F 2365224455 YLFMXXHBIXYFGJ-SSDHTEECSA-N 476.956 6.386 50 10 JKGE FC(F)(F)[C@@H]1[C@H](Br)CCCN1Cc1cccc(Br)c1Br 2370292135 NSBZDAMTIKJPJV-PWSUYJOCSA-N 479.960 5.502 50 10 JKGE FC(F)(F)[C@@H]1[C@@H](Br)CCCN1Cc1ccc(Cl)c(I)c1 2370299209 HXAFURMCWKMFPN-CABZTGNLSA-N 482.509 5.235 50 10 JKGE N#CC1=C(N)Oc2cc(O)c(/C=N/c3cc(C(F)(F)F)ccc3Cl)cc2[C@@H]1c1cccc(F)c1 2186625 GNKVDWQOYOZFAA-DUFDUQTGSA-N 487.840 6.172 50 10 JKGE CC[C@H](C)c1ccc(-c2cc(C(=O)NN=Cc3ccc4c(c3)OCO4)c3ccccc3n2)cc1 8573213 ZTBHSOMNUZXTNB-SFHVURJKSA-N 451.526 5.908 50 10 JKGE Cc1cccc(N[C@H](C)C(=O)N/N=C/c2ccccc2OCc2cccc(Br)c2)c1 27528193 URDIVACAIISANU-GTPWMTBTSA-N 466.379 5.287 50 10 JKGE CSc1sc(C)cc1[C@@H]1C(C#N)=C(N)N(c2cccc(C(F)(F)F)c2)C2=C1C(=O)CCC2 27550494 LYTXJXKSROMBQS-LJQANCHMSA-N 475.561 6.102 50 10 JKGE O=C(COc1ccc(Cl)cc1Cl)NNC(=O)c1ccc(-c2nc3ccccc3s2)s1 35553810 ZLKGNUSITZKMHN-UHFFFAOYSA-N 478.382 5.172 50 10 JKGE COc1cccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)[C@@H](C)Oc4ccc(C(C)C)cc4)ccc32)c1 38650236 KIQRFRSTUHHRTM-DNOBIOAJSA-N 484.552 5.410 50 10 JKGE CCCCOc1cccc(C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@@H]3c2cccc(Cl)c2)c1 38651237 RSYXTZJLAVIGBA-RUZDIDTESA-N 474.944 5.956 50 10 JKGE N#CC1=C(N)Oc2cc(OC(=O)c3cccs3)ccc2[C@@H]1c1cccc(OCc2ccc(F)cc2)c1 38686872 GBKSTMRKZDIDLL-SANMLTNESA-N 498.535 5.904 50 10 JKGE O=C(CSc1nc2ccccc2[nH]1)N/N=C\c1cccc(OCc2ccc(Cl)cc2)c1 50954651 JNTYZAIPBCMODI-MXAYSNPKSA-N 450.951 5.038 50 10 JKGE C=CCc1cc(/C=N\NC(=O)CC[C@@H](O)c2ccccc2)ccc1OCc1ccc(Cl)c(Cl)c1 58891745 BFLJEPZSRDTLCN-PEHSQKLVSA-N 497.422 6.265 50 10 JKGE CCOc1ccc([C@H](O)CCC(=O)N/N=C\c2cc(C)n(-c3ccc(Cl)cc3Cl)c2C)cc1 58894504 IUDJXOYGQQBIMN-GSOYBGKMSA-N 488.415 5.764 50 10 JKGE CCOc1cc(Br)c(/C=N/NC(=O)c2cc3cc(Br)ccc3o2)cc1OC 59304819 RYXVMYHYLRXJTM-LSHDLFTRSA-N 496.155 5.129 50 10 JKGE Cc1cccc(COc2ccccc2/C=N/NC(=O)c2cc3cc(Br)ccc3o2)c1 59304976 VKLYWDIQEXBOQZ-VULFUBBASA-N 463.331 5.847 50 10 JKGE C[C@H]1COc2ccc([C@H](Br)c3ccccc3I)cc2OC1 70511241 NQHHYFWWUHBDSM-GTNSWQLSSA-N 459.121 5.183 50 10 JKGE Cl[C@@H](c1ccc(Br)s1)c1cc(Br)sc1Br 71087878 RWJBMBSJKLRFAY-MRVPVSSYSA-N 451.430 6.425 50 10 JKGE CCCOc1ccccc1NC(=O)/C(C#N)=C\c1cn(CCC#N)nc1-c1ccc(Cl)cc1 96930524 MBGHXIKZFSFZEO-CYVLTUHYSA-N 459.937 5.452 50 10 JKGE Cc1ccc([C@H](C(=O)NC2CCC(C)CC2)N(Cc2ccccc2Cl)C(=O)CCl)cc1 97914732 BBAOBWVUIPKLFU-SXKUEDQZSA-N 461.433 5.652 50 10 JKGE CCc1c(C)sc(NC(=O)/C(C#N)=C\c2cn(-c3ccccc3)nc2-c2ccccc2)c1C#N 98056718 PFWONJCWDREWDG-ZHZULCJRSA-N 463.566 5.889 50 10 JKGE N#C/C(=C(/O)c1ccccc1C[C@H](Cl)C#N)c1nc(-c2ccc(Br)cc2)cs1 100990219 FHJPQXVTLGQLTK-MXLIYFDZSA-N 470.779 6.196 50 10 JKGE CC[C@@H](C)N1C(=O)C(C#N)=C(C)/C(=C\c2cn(-c3ccccc3)nc2-c2ccc(OC)c(F)c2)C1=O 101334185 ABTJFCITNQLMDY-NEIHUHTASA-N 484.531 5.078 50 10 JKGE CCOC(=O)c1c(N/C=C(\C#N)c2nc(-c3ccc4ccccc4c3)cs2)sc(C(C)=O)c1C 103629520 JIDPUHAATDKLLP-DEDYPNTBSA-N 487.606 6.689 50 10 JKGE COc1ccc(Br)cc1[C@H](Br)c1cc(F)cc(Br)c1 104038115 IVPHHWUINQOQFQ-CQSZACIVSA-N 452.943 5.844 50 10 JKGE COc1cccc(N/C(SCc2ccccc2Cl)=C(\C#N)C(=O)NCc2cccs2)c1 105422559 HPJWMJKYHIRCBN-ATJXCDBQSA-N 470.019 5.807 50 10 JKGE CCCCCCCCC(=O)N/N=C/c1ccccc1OC(=O)c1sc2ccccc2c1Cl 108863405 USBQTCPVCCJLQQ-WPWMEQJKSA-N 471.022 6.975 50 10 JKGE Cc1cc(Br)c([C@@H](Br)C2CCCCCCC2)cc1Br 128782777 SGDJMYZQVFNZSH-INIZCTEOSA-N 453.056 7.317 50 10 JKGE Cc1cc(Br)c([C@H](Br)CCC2CCCCC2)cc1Br 128832444 LGGRZGUWEFJAGQ-CQSZACIVSA-N 453.056 7.317 50 10 JKGE CCc1cc(CC)c([C@H](Br)c2ccc(I)cc2)c(CC)c1 148114534 FTISTEYLMALMLB-LJQANCHMSA-N 457.193 6.463 50 10 JKGE Cn1c(=O)oc2cc([C@H](Br)c3cc(Br)ccc3Br)ccc21 161097272 XGACJLNVNMIHGB-AWEZNQCLSA-N 475.962 5.141 50 10 JKGE Cc1ccc(Br)c([C@H](Br)c2cc3[nH]c(=O)[nH]c3cc2Br)c1 161765603 LDYCGBWXABBWTQ-AWEZNQCLSA-N 474.978 5.174 50 10 JKGE Fc1ccc([C@@H](Br)c2cc(Br)ccc2Br)cc1Cl 212822432 CVKBMDGVJCXKLS-CYBMUJFWSA-N 457.362 6.488 50 10 JKGE CCCCOc1cccc(-c2nn(-c3ccccc3)cc2/C=C2\C(=O)N(C(C)C)C(=O)C(C#N)=C2C)c1 214251024 APYPVEUPRLRNQW-ONUIUJJFSA-N 494.595 5.719 50 10 JKGE COc1ccc([C@H](Br)c2ccc(Br)o2)c(OC)c1Br 224861032 YSRKIEGCCPHPGV-NSHDSACASA-N 454.940 5.306 50 10 JKGE Fc1ccc(Br)c(F)c1C[C@@H](CBr)c1cccc(Br)c1 230376247 ORJPGWNBJQYBKQ-JTQLQIEISA-N 468.961 6.211 50 10 JKGE Cc1cc(F)cc(C)c1[C@@H](Br)c1cc(Br)ccc1Br 235760246 BXOGEZQPBPVKIU-HNNXBMFYSA-N 450.971 6.452 50 10 JKGE Cn1c(=O)oc2cc([C@H](Br)c3cc(Br)sc3Br)ccc21 236106560 NROCJLXGQQQCDT-NSHDSACASA-N 481.991 5.202 50 10 JKGE O=C(Cc1nnc(NC(=O)Nc2ccccc2)s1)NN=Cc1c2ccccc2cc2ccccc12 254579127 OBHYVWNBELDMGV-UHFFFAOYSA-N 480.553 5.181 50 10 JKGE O=C(CSc1nnc(SCc2cccc3ccccc23)s1)NN=C/C=C\c1ccccc1 254700651 JBKPNERPFCXSOY-KDTDWWHWSA-N 476.652 5.891 50 10 JKGE Clc1cc2c(c([C@@H](Br)c3sccc3I)c1)OCC2 381412810 ZAEOSWZOJRCQAP-LLVKDONJSA-N 455.542 5.425 50 10 JKGE Clc1ccc([C@H]2CN(Cc3ccccc3)C[C@@H]2CI)c(Br)c1 382684624 DQNWFEPLSIXUIJ-YOEHRIQHSA-N 490.610 5.753 50 10 JKGE CCc1ccc(CC)c([C@@H](Br)c2scc(Br)c2Br)c1 705465293 LZMUEMRFYSYTFJ-CYBMUJFWSA-N 467.064 6.882 50 10 JKGE Fc1cccc(F)c1C[C@@H](Br)c1scc(Br)c1Br 705492563 PRWLOLSQNLNVGO-SSDOTTSWSA-N 460.963 6.230 50 10 JKGE Fc1cc(C[C@H](CBr)Cc2cccc(Br)c2)ccc1Br 722016812 RTDZPGPTIRQNIF-CYBMUJFWSA-N 464.998 6.147 50 10 JKGE O=[N+]([O-])c1cccc(N=NN(C[C@@H](Br)CBr)c2cccc([N+](=O)[O-])c2)c1 1083982757 CJZKVDPHWZYQRM-NSHDSACASA-N 487.108 5.167 50 10 JKGE N#C/C(=C/c1cn(Cc2ccccc2Cl)c2ccc(Br)cc12)C(=O)NC[C@@H]1CCCO1 1084194011 NZRQLNJBJWPXPJ-PSXSOWLISA-N 498.808 5.308 50 10 JKGE O=C(COc1ccc(C=NNC(=O)c2ccc(Cl)cc2Cl)cc1)Nc1cccc(Cl)c1 1084423189 ACAXGPWGELLZDY-UHFFFAOYSA-N 476.747 5.428 50 10 JKGE Cc1cccc(NC(=O)/C(C#N)=C\c2cc(Cl)ccc2OCc2ccc(Br)cc2)c1C 1084600402 KOXWILPORHDOFI-NDENLUEZSA-N 495.804 6.844 50 10 JKGE CCOc1cc(C=NNC(=O)C(O)(c2ccccc2)c2ccccc2)ccc1OCc1ccc(F)cc1 1084649696 JOXMOJBXTDJFHS-UHFFFAOYSA-N 498.554 5.190 50 10 JKGE COc1ccc(/C(C#N)=C/c2cccc(OC(=O)c3ccc(-n4cccc4)cc3)c2)cc1OC 1615066825 QYJROKBFHMWYMC-XQNSMLJCSA-N 450.494 5.778 50 10 JKGE Cc1ccc(C(=O)Nc2cccc3c(OC(=O)Nc4ccc(SC#N)cc4)cccc23)cc1 1858767630 LBULPCXURDPVBG-UHFFFAOYSA-N 453.523 6.585 50 10 JKGE CCCCCOc1ccc([C@H]2C(C#N)=C(N)Oc3c2c(C(F)(F)F)nn3-c2ccccc2)cc1 1865689532 BNOYTJYMHGRZIT-FQEVSTJZSA-N 468.479 5.678 50 10 JKGE CCCCOc1ccc([C@@H]2C(C#N)=C(N)Oc3c2c(-c2ccccc2)nn3Cc2ccc(C)cc2)cc1 1865689920 GKUKZNWCGBPLMA-HHHXNRCGSA-N 490.607 6.304 50 10 JKGE CCCCCOc1ccc([C@@H]2C(C#N)=C(N)Oc3c2c(C(F)(F)F)nn3CC)cc1OCC 1865691016 HDPIEYKWZFKADV-GOSISDBHSA-N 464.488 5.108 50 10 JKGE Cn1nc(-c2ccccc2)c2c1OC(N)=C(C#N)[C@H]2c1ccc(OCc2ccc(Cl)cc2)cc1 1865695198 MNFQVNZPZXWQHQ-HSZRJFAPSA-N 468.944 5.538 50 10 JKGE CCc1nn(Cc2cc(C)ccc2C)c2c1[C@@H](c1ccc(N(CC)CC)cc1)C(C#N)=C(N)O2 1865701703 CEQQEPRNALUEPD-VWLOTQADSA-N 455.606 5.175 50 10 JKGE Cc1ccc(C)c(Cn2nc(-c3ccccc3)c3c2OC(N)=C(C#N)[C@@H]3c2ccccc2[N+](=O)[O-])c1 1865710128 PDJLXOYBBNKETN-DEOSSOPVSA-N 477.524 5.342 50 10 JKGE CCc1cc2c(=O)c(-c3ccc(OC)c(OC)c3)c(C)oc2cc1OCc1ccc(CCl)cc1 1871436849 STURTCHCWAQVSG-UHFFFAOYSA-N 478.972 6.666 50 10 JKGE CCOc1cc(/C=C(\C#N)c2nc(O)c3cc(OC)c(OC)cc3n2)ccc1OCc1ccccc1C 1872727461 CKGVLEHSJROEFI-CIAFOILYSA-N 497.551 5.703 50 10 JKGE CCCCc1ccc(-c2csc(/C(C#N)=C(\O)[C@@H](CC(C)C)N3C(=O)c4ccccc4C3=O)n2)cc1 1872744903 NVJJSVMEBMPWGQ-SPICPHANSA-N 499.636 6.656 50 10 JKGE CC(C)(C)c1ccc(OCCC/C(O)=C(\C#N)c2nc(-c3cccc(Br)c3)cs2)cc1 1872745860 GUXBKNKJPONXKF-LNVKXUELSA-N 497.458 7.522 50 10 JKGE COc1cc(OC)cc(/C(O)=C(\C#N)c2nc(-c3ccc(Oc4ccccc4)cc3)cs2)c1 1872753694 JFQDMXILADOPEE-BZZOAKBMSA-N 456.523 6.569 50 10 JKGE CCc1ccccc1OC/C(O)=C(\C#N)c1nc(-c2cc(Cl)c(OC)c(Cl)c2)cs1 1872756409 ZIGGHKMIUKIOQV-CYVLTUHYSA-N 461.370 6.560 50 10 JKGE CC(C)c1ccc(-c2csc(/C(C#N)=C/c3ccc(OC(=O)c4ccccc4)cc3)n2)cc1 1872791996 YUYNYLUQWNMHSB-LFVJCYFKSA-N 450.563 7.217 50 10 JKGE COc1cc(/C=C(\C#N)c2nc(-c3ccc(OC)c(C)c3C)cs2)ccc1OCCc1ccccc1 1872793203 NGJARTBZXFEQFV-LFVJCYFKSA-N 496.632 7.130 50 10 JKGE CCOc1ccc(/C=C(\C#N)c2nc(-c3ccc(OC)c(OC)c3OC)cs2)cc1OCC 1872795055 KXWWOUUMNGBBHL-SFQUDFHCSA-N 466.559 5.697 50 10 JKGE CC(C)(C)O[C@H]1C[C@@H]([C@H](Br)c2cc(Br)ccc2Br)C1 1913993475 CHXSXFOKDCXBFD-PXWWUCIGSA-N 455.028 6.241 50 10 JKGE C[C@@H](CCBr)N(Cc1ccccc1)C(=O)c1csc(I)c1 1915104942 FEQBNCCEVFHKPX-LBPRGKRZSA-N 478.193 5.169 50 10 JKGE Cc1cc(C(=O)N(Cc2ccccc2)C2(CBr)CCC2)sc1Br 1915741089 KAXXGPIMSMAFNK-UHFFFAOYSA-N 457.231 5.779 50 10 JKGE Cc1c(Br)sc([C@H](Cl)c2c(F)cc(Br)cc2F)c1Br 1922896603 GPUQJKRXMUHHQQ-SNVBAGLBSA-N 495.408 6.950 50 10 JKGE Cc1cc(F)ccc1[C@H](Br)c1sc(Br)c(C)c1Br 1922946226 PDMZAPMLXDOYLD-NSHDSACASA-N 457.000 6.513 50 10 JKGE CSc1ccccc1[C@@H](Cl)c1c(Br)sc(Br)c1Br 1924591181 NYNQXSDFNMZJCG-SNVBAGLBSA-N 491.495 7.086 50 10 JKGE Brc1ccc([C@@H](Br)Cc2ncccc2Br)c(Br)c1 1924859833 BKZIVQKWYWABKB-LBPRGKRZSA-N 498.838 6.048 50 10 JKGE Clc1sc(Br)c(Cl)c1[C@@H](Br)c1cccc2c1CCCC2 1925545490 GCLOGNFVTMLSTN-LBPRGKRZSA-N 455.042 7.181 50 10 JKGE CC[C@H](Br)CN(Cc1ccccc1)C(=O)c1c(Br)sc(C)c1C 1939962563 OBOVVHYIGFBGOR-HNNXBMFYSA-N 459.247 5.943 50 10 JKGE CCc1sc(Br)cc1[C@@H](Br)c1ccccc1OCc1ccccc1 1943031925 ZKNSGYWEQDSYOP-FQEVSTJZSA-N 466.238 7.136 50 10 JKGE COc1sc([C@H](Br)c2ccccc2I)cc1Br 1946721889 RTLWKTXDVWRYSE-LLVKDONJSA-N 487.982 5.608 50 10 JKGE FC1(F)CC12CC([C@@H](Br)c1cc(Br)c(Br)s1)C2 1948682857 ZLCJRIGGGRTUIA-FDRLMODASA-N 450.968 6.145 50 10 JKGE CCc1cc(Br)c([C@@H](Br)c2scc(C)c2Br)s1 1950882675 VZCDRPCQFVKVII-SNVBAGLBSA-N 459.066 6.690 50 10 JKGE CC(C)(CCF)[C@@H](Cl)c1c(Br)sc(Br)c1Br 1989220999 WHHUUBDNVPFJFA-ZETCQYMHSA-N 457.428 6.701 50 10 JKGE FC1(F)C[C@]12CC[C@H]([C@H](Br)c1sc(Br)cc1Br)C2 2038549038 LDWSWNTXJUGNGN-DQBIJJQNSA-N 464.995 6.535 50 10 JKGE FC1(F)CCCCC[C@H]1[C@@H](Br)c1sc(Br)cc1Br 2046377529 SZAZGDMWMNGXAM-OIBJUYFYSA-N 467.011 6.925 50 10 JKGE CC(C)C[C@@H]1CN(C(=O)OC(C)(C)C)CC[C@@H]1NCCSSCCNC(=O)OC(C)(C)C 2061264974 WDGXMQCQTIVXCS-MOPGFXCFSA-N 491.764 5.154 50 10 JKGE CCC[C@H]1CC[C@H]([C@@H](Br)c2cc(Br)c(Br)s2)CC1 2072704107 ITPUVBBOSLAJOF-GIPNMCIBSA-N 459.085 7.316 50 10 JKGE CN(C[C@@H]1C[C@H]1Br)[C@@H](CN)c1ccc(OCc2ccccc2)c(OCc2ccccc2)c1 2076237690 XUDLOFJEIDAXER-GVAUOCQISA-N 495.461 5.560 50 10 JKGE Cc1cc(Br)c(C)c([C@@H](Br)[C@H](F)C(F)(F)F)c1Br 2081072716 XIQWRBLSTGPRCA-ZJUUUORDSA-N 456.897 6.165 50 10 JKGE Fc1cc(Oc2ccc(Br)cc2CBr)cc(F)c1Br 2092541469 GJABAVCMWNUFSR-UHFFFAOYSA-N 456.906 6.177 50 10 JKGE Cc1sc(Br)cc1[C@H](Br)c1cc(Br)cc2c1OCC2 2095698942 KYWRUSPSDQOQNC-ZDUSSCGKSA-N 467.020 6.001 50 10 JKGE Brc1ccc(Br)c(CC[C@@H](Br)CC2CCCCC2)c1 2118524677 LQBRPPMWTMPYNB-CQSZACIVSA-N 453.056 6.878 50 10 JKGE Clc1ccc(C[C@@H](Cl)c2ccc(Br)cc2I)cc1Cl 2142278231 AGVCKFJASHWKQA-GFCCVEGCSA-N 490.393 6.883 50 10 JKGE Fc1ccc([C@@H](Br)CCc2ccc(I)c(Cl)c2)cc1 2142936783 LOEUZGIOWGQPFO-ZDUSSCGKSA-N 453.520 6.153 50 10 JKGE CC(C)(C)[C@@H]1[C@@H](Br)CCN1Cc1ccc(I)c(Cl)c1 2142942036 ADRJNTHNTQTCGI-FZMZJTMJSA-N 456.593 5.329 50 10 JKGE Clc1cc(CN2[C@H]3CC[C@@H]2C[C@H](CBr)C3)ccc1I 2142943988 QFJLZJSGMZEIIT-CLLJXQQHSA-N 454.577 5.083 50 10 JKGE O=[N+]([O-])c1cc(Br)c(OC[C@H](CBr)C2CCC2)c(Br)c1 2145990721 ZONAZGNYCVMBOI-VIFPVBQESA-N 471.971 5.310 50 10 JKGE Fc1ccc(C[C@@H](CBr)Cc2cccc(Br)c2Br)cc1 2148750502 HHJSZSSSTDMMGZ-GFCCVEGCSA-N 464.998 6.147 50 10 JKGE O=C(N[C@@H]1CCCC[C@H]1CCBr)c1c(Br)cccc1Br 2150502781 FAWRWWPBUISVFD-GXFFZTMASA-N 468.027 5.285 50 10 JKGE CC(C)(C)OC(=O)N[C@@H](C[S@@](C)(=O)=NCC1(CBr)CCCCC1)C(C)(C)C 2163061918 IYFDILYBZYTSHH-RKOGDMNLSA-N 467.514 5.369 50 10 JKGE COc1cc(F)c(Br)cc1[C@@H](Br)c1nn(C)c(Cl)c1Br 2167049857 HLPFHAYCHPNJKM-SECBINFHSA-N 491.380 5.231 50 10 JKGE C[C@]1(C2CC2)CN(c2cc(Br)cc(F)c2CCl)CCN1Cc1ccccc1 2170696271 BAUQTIPFRMDVKP-JOCHJYFZSA-N 451.811 5.818 50 10 JKGE O=C(c1scc(Br)c1Br)N1C[C@H](CBr)C2(CCCC2)C1 2175214945 VMERZLRDMBVLMK-VIFPVBQESA-N 486.067 5.300 50 10 JKGE F[C@@]12CCC[C@]1(CBr)CN(Cc1cccc(Br)c1Br)C2 2176634506 CXJHRCBEZYVYQQ-LSDHHAIUSA-N 470.018 5.301 50 10 JKGE C[C@@H]1C[C@@H](C(F)(F)F)N(C[C@H](CBr)C(C)(C)C)CCN1C(=O)OC(C)(C)C 2178265114 WPWZNHIJSRGMSF-ILXRZTDVSA-N 459.391 5.306 50 10 JKGE C[C@@H]1C[C@H](n2c(CCl)nc3ccc(F)c(Br)c32)CN(Cc2ccccc2)C1 2184260900 QONPQCBSWPBNFL-ZBFHGGJFSA-N 450.783 5.760 50 10 JKGE CCCC(CBr)(CCC)CN=[S@](C)(=O)C1CC(CNC(=O)OC(C)(C)C)C1 2192626859 RFAUBTDJENDFRI-IYIBJFCGSA-N 467.514 5.369 50 10 JKGE O=C(N[C@H](CBr)[C@@H]1CC=CCC1)c1c(Br)cccc1Br 2196144654 YEGSDDSQFCMFRX-ZWNOBZJWSA-N 466.011 5.061 50 10 JKGE COc1cc(C)c([C@H](Cl)c2cccc(F)c2I)cc1Br 2198735755 WNBYSOIMNPGHLU-CQSZACIVSA-N 469.519 5.838 50 10 JKGE CCN(CC)C[C@@H](Cl)Cc1sc(Br)c(Br)c1Br 2216419678 LDOKGGDDAMJHSO-ZETCQYMHSA-N 468.480 5.527 50 10 JKGE FC(F)(F)[C@@H]1CC[C@@H]1[C@@H](Br)c1cc(Br)ccc1Br 2217670284 XDKNWGSFSQXOFX-JVUFJMBOSA-N 450.918 6.236 50 10 JKGE Cc1c(Br)sc([C@@H](Br)c2cccc(F)c2Br)c1C 2218791968 VOTHDGLLQZDMPF-NSHDSACASA-N 457.000 6.513 50 10 JKGE F[C@@H]1CCC[C@H]([C@@H](Br)c2c(Br)cc(Cl)c(Cl)c2Cl)C1 2224319575 GCOSROJXASLWAZ-MVKOHCKWSA-N 453.404 7.374 50 10 JKGE Cc1ccc([C@H](Br)c2cc(Br)ccc2Br)c(F)c1F 2231133165 HVZDULDUAYKLCU-LBPRGKRZSA-N 454.934 6.283 50 10 JKGE Clc1cc(Br)c([C@H](Br)C2[C@@H]3CCCCC[C@@H]23)c(Cl)c1Cl 2232509633 DTCQPGSUKCASDI-OTPXZMOZSA-N 461.452 7.672 50 10 JKGE Fc1cc(Br)cc2c1nc(CCCl)n2C1CC(COCc2ccccc2)C1 2232924295 SEQGPVVUGBQXTJ-UHFFFAOYSA-N 451.767 5.887 50 10 JKGE Cc1cc(C)c([C@@H](Br)c2cc(Br)c(Br)cc2F)c(C)c1 2233976322 OMGFTHBXYJSPQK-INIZCTEOSA-N 464.998 6.760 50 10 JKGE CCCCCCc1ccc([C@H](Br)c2ccc(I)cc2)s1 2234126459 LXRHSUBXUOYWJR-QGZVFWFLSA-N 463.222 6.960 50 10 JKGE CCCCCCc1ccc([C@@H](Br)c2cnn(C)c2I)s1 2234126893 QFGVUGNUJUUMMQ-AWEZNQCLSA-N 467.214 5.693 50 10 JKGE CCc1nc([C@@H](Br)c2c(F)cc(F)c(Br)c2F)c(Br)s1 2236111720 QLYUSCSAYWLLAJ-VIFPVBQESA-N 493.968 6.132 50 10 JKGE Cc1cccc([C@H](Cl)c2ccc3c(c2Br)CCO3)c1I 2238067310 PBQKGZMFCCESRQ-OAHLLOKOSA-N 463.540 5.625 50 10 JKGE Cl[C@H](c1ccc([C@H]2CCOC2)s1)c1cc(I)ccc1Br 2240437809 DMOCWVQIRBVKRI-VFZGTOFNSA-N 483.596 5.947 50 10 JKGE Cc1c(Cl)cc([C@@H](Br)Cc2cc(Cl)cc(Cl)c2)cc1Br 2240879586 IJOROLHPDSYZJE-AWEZNQCLSA-N 457.420 7.396 50 10 JKGE CCN(C[C@](C)(CI)OC[C@H]1CCC12CCC2)C(=O)OC(C)(C)C 2247315988 GULCODXSJRNDBO-QAPCUYQASA-N 451.389 5.034 50 10 JKGE Brc1cc(Br)cc(C[C@H](Br)c2coc(Br)c2)c1 2252839288 OHFNQPPGXDGEGP-NSHDSACASA-N 487.811 6.246 50 10 JKGE BrC[C@H](C1CC1)N(Cc1ccccc1)c1ccnc2ccc(Br)cc12 2257586023 WQUJDPMEDMWUNR-OAQYLSRUSA-N 460.213 6.177 50 10 JKGE CN(Cc1cccc(I)c1)c1cc(Br)ccc1CBr 2265533835 YUIOZWJHPMBBLX-UHFFFAOYSA-N 494.996 5.585 50 10 JKGE CC1(C)CO[C@@H]([C@H](Br)c2c(F)cc(Br)c(F)c2Br)C1 2272723371 FWLQDFVULVKGOD-SCZZXKLOSA-N 462.954 5.741 50 10 JKGE CC1CC(CC[C@@H](Br)c2c(F)cc(Br)c(F)c2Br)C1 2274614535 BAKXTHJHFRUXQV-AMDVSUOASA-N 460.982 6.752 50 10 JKGE BrCc1cc(Br)cc(Br)c1OCC[C@H]1CCCC12CC2 2281328749 XYOBBSMJOGTNIG-GFCCVEGCSA-N 467.039 6.456 50 10 JKGE CC1CCC2(CC1)[C@@H](Br)C[C@@H]2Oc1cc(I)ccc1Cl 2288257906 TWILMESDOUQUAP-SIBYTZNVSA-N 469.588 6.056 50 10 JKGE COCc1csc([C@@H](Br)c2c(F)cc(Br)c(F)c2Br)c1 2288346790 LWVXDGBMSPIGRF-LLVKDONJSA-N 490.989 6.182 50 10 JKGE CCOc1ccc(C=C(C#N)C(=O)Nc2ncc(Cc3cccc(Cl)c3Cl)s2)cc1 2293038528 JCRKXOZOUWRCNU-UHFFFAOYSA-N 458.370 5.985 50 10 JKGE Brc1cc(Br)cc(C[C@@H](Br)C2C[C@H]3COC[C@H](C2)C3)c1 2295334188 SPUDIUXZZRDKBP-MQIPJXDCSA-N 467.039 5.580 50 10 JKGE FC(F)(F)c1cc([C@H](Br)c2cc3sc(Br)cc3s2)cs1 2295405129 ZEWJNABSDFYPTL-NSHDSACASA-N 462.175 7.290 50 10 JKGE Cc1ccc(C[C@@H]2SC(=C(C#N)C(=O)Nc3ccc(F)cc3)N(c3ccccc3)C2=O)cc1 2296507169 WSGBLUHFRIPAQA-QHCPKHFHSA-N 457.530 5.199 50 10 JKGE CCCCOC(=O)c1c(NC(=O)C(C#N)=Cc2ccc(-c3ccc(F)cc3)o2)sc2c1CCCC2 2296833321 WVYIEAMJRXACSB-UHFFFAOYSA-N 492.572 6.529 50 10 JKGE COc1ccc(C(=O)Oc2ccc(C=C(C#N)C(=O)Nc3ccc(Cl)cc3[N+](=O)[O-])cc2)cc1 2297551476 MTAIQJXYGJJJKY-UHFFFAOYSA-N 477.860 5.022 50 10 JKGE CO[C@@H]1CC[C@@H]([C@H](Br)c2ccc(OCc3ccccc3)cc2Br)C1 2299493666 HCWQOGCHOZOVEY-QINHECLXSA-N 454.202 6.279 50 10 JKGE CC(C)[C@@H]1CCc2c(OCc3ccccc3)ccc(Br)c2[C@H](Br)C1 2299517639 MUVFNSKSKGWRGW-VQIMIIECSA-N 452.230 7.073 50 10 JKGE C[C@@H]1CCC[C@@H]([C@H](Br)c2ccc(OCc3ccccc3)cc2Br)O1 2299534220 BCWYQJWJMJXBCN-VOBQZIQPSA-N 454.202 6.422 50 10 JKGE C=CCOc1c(Br)cc(C=C(C#N)C(=O)Nc2ccccc2)cc1Br 2313511296 YSLJJZKRHGTKEO-UHFFFAOYSA-N 462.141 5.322 50 10 JKGE CCc1cc(Br)ccc1NC(=O)C(C#N)=Cc1c(C)nn(Cc2ccccc2Cl)c1C 2313548472 YVLXTNVVLOHQPW-UHFFFAOYSA-N 497.824 6.072 50 10 JKGE Cc1ccc(NC(=O)C(C#N)=Cc2cc(Br)ccc2OCc2ccc3c(c2)OCO3)cc1 2313570839 HDBVVCKEVXFSKR-UHFFFAOYSA-N 491.341 5.611 50 10 JKGE N#CCOc1ccc(C=C(C#N)C(=O)Nc2cccc(Cl)c2Cl)cc1Br 2313571411 VURQCMZQCUYCEE-UHFFFAOYSA-N 451.107 5.204 50 10 JKGE COc1ccc(C=C(C#N)C(=O)Nc2cccc(Cl)c2)cc1OCc1c(Cl)cccc1Cl 2313631840 WVEKDIHHTZIZAQ-UHFFFAOYSA-N 487.770 6.780 50 10 JKGE COc1cc(C=C(C#N)c2ccccc2F)ccc1OC(=O)c1cccc(Br)c1 2320506861 SWYFEEAHRBIIRZ-UHFFFAOYSA-N 452.279 5.880 50 10 JKGE C[C@H](c1ccccc1)N1C[C@@H](C(O)=C(C#N)c2nc(-c3ccc(-c4ccccc4)cc3)cs2)CC1=O 2331231901 RIMGGVONBWGJID-NLFFAJNJSA-N 491.616 6.879 50 10 JKGE COc1ccc(Cl)cc1N1C[C@H](C(O)=C(C#N)c2nc(-c3ccc(F)c(C)c3)cs2)CC1=O 2331320714 XGSOXIGKVNXTCZ-OAHLLOKOSA-N 483.952 5.765 50 10 JKGE CCOc1cc(C(O)=C(C#N)c2nc(-c3cc(OC)ccc3OC)cs2)cc(OCC)c1OCC 2331324438 AMENLQJDQZEGLG-UHFFFAOYSA-N 496.585 5.973 50 10 JKGE CCCCOc1ccc(C(O)=C(C#N)c2nc(-c3ccc4c(c3)OCCO4)cs2)cc1OCC 2331331040 SIPTUIHBRVQNEO-UHFFFAOYSA-N 478.570 6.109 50 10 JKGE CCOc1ccc(OCC)c(-c2csc(C(C#N)=C(O)C(c3ccccc3)c3ccccc3)n2)c1 2331376282 UDIDIWOWMNNMOY-UHFFFAOYSA-N 482.605 7.232 50 10 JKGE COC(=O)c1ccccc1N1C[C@@H](C(O)=C(C#N)c2nc(-c3ccc(C)c(C)c3)cs2)CC1=O 2331382516 BVFNZAKGFIBRGM-SFHVURJKSA-N 473.554 5.059 50 10 JKGE COc1cc(Cl)c(C)cc1-c1csc(C(C#N)=C(O)COc2c(C)ccc(C)c2C)n1 2331390090 HZIAPXUIQBSYLD-UHFFFAOYSA-N 454.979 6.577 50 10 JKGE COc1cc(C)c(-c2csc(C(C#N)=C(O)c3cccc(Oc4ccccc4)c3)n2)cc1C 2331403054 WBBQIYYCDKLUAR-UHFFFAOYSA-N 454.551 7.178 50 10 JKGE CCCCc1ccc(-c2csc(C(C#N)=Cc3ccc(OC(=O)c4ccccc4)cc3)n2)cc1 2331430056 HAXYJKNYIYDARD-UHFFFAOYSA-N 464.590 7.436 50 10 JKGE CCCCOc1ccc(C=C(C#N)c2nc(-c3ccc(OC)cc3OC)cs2)cc1OC 2331473240 KYTVSZODOMQZFV-UHFFFAOYSA-N 450.560 6.079 50 10 JKGE Brc1ccc(OCc2ccccc2)c([C@@H](Br)c2ccc(C3CC3)cc2)c1 2336054575 SVKPMBYOZWVHFT-QHCPKHFHSA-N 472.220 7.390 50 10 JKGE C[C@@H](C[C@H](Br)c1c(Cl)cc(Br)c(F)c1Br)C(C)(C)C 2337115349 ZUYYCRRMXWCOIS-YUMQZZPRSA-N 479.453 7.512 50 10 JKGE Cn1nc(Br)c(Br)c1[C@@H](Br)Cc1ccc(Cl)c(F)c1 2338862997 DJJSRPCHSOBRPW-ZETCQYMHSA-N 475.381 5.416 50 10 JKGE COc1c(Br)cc(C)c([C@H](Br)[C@@]2(Cl)CC2(C)C)c1Br 2339660123 ZROLADNQNXXKFA-JSGCOSHPSA-N 475.446 6.372 50 10 JKGE Brc1cc(CN2C[C@@H]3CCC[C@H](C2)C3Br)ccc1I 2349856830 OWXLPECHGFAWST-ODOQXGPZSA-N 499.028 5.049 50 10 JKGE CN(Cc1c(Br)cccc1Br)C[C@@]1(CBr)CC1(F)F 2351890819 PUCUOJNAPRFGHY-LBPRGKRZSA-N 461.970 5.064 50 10 JKGE FC(F)(F)[C@]12C[C@]([C@@H](Br)c3c(Cl)sc(Br)c3Cl)(CO1)C2 2363843065 DRELRUIXEKIJPA-JUWDTYFHSA-N 474.951 6.365 50 10 JKGE COc1c(Br)cc(C)c([C@H](Br)C[C@@]23CCC[C@H]2C3)c1Br 2365192502 CMOYGTGIBBBETF-IETSOEAISA-N 467.039 6.545 50 10 JKGE COc1c(Br)cc(C)c([C@@H](Br)[C@@H]2C[C@H]2C(C)(C)C)c1Br 2365195972 HKDDNMSULUHNDC-BREBYQMCSA-N 469.055 6.647 50 10 JKGE COc1c(Br)cc(C)c([C@H](Br)[C@H]2[C@H]3[C@H]4C[C@@H]2C[C@H]43)c1Br 2365217056 AGXJZPFQGUHFTL-VCEMMQNOSA-N 465.023 5.867 50 10 JKGE O=C(N[C@@H](CCCl)COCc1ccccc1)c1ccc(Br)cc1C(F)(F)F 2369678269 BJGCFMBUEQVVAX-HNNXBMFYSA-N 464.709 5.412 50 10 JKGE C=CC[C@]1(CCl)CCCCN1Cc1ccc(I)c(Br)c1 2377353865 JIJUEFWVYOVJQG-MRXNPFEDSA-N 468.604 5.593 50 10 JKGE CC(C)(C)Oc1ccc([C@@H](Br)c2ccoc2Br)cc1Br 2381321239 DZPQVYOYCJKUCL-CYBMUJFWSA-N 466.995 6.466 50 10 JKGE COc1ccc(N(C(=O)CCl)[C@H](C(=O)NC2CCCCC2)c2ccc(Cl)cc2)c(OC)c1 3035277 MEGFXYACRBDLNI-QHCPKHFHSA-N 479.404 5.119 50 10 JKGE Cc1[nH]c2ccccc2c1C(=O)/C(C#N)=C/c1ccc(Oc2ccc(C(C)(C)C)cc2)c([N+](=O)[O-])c1 15979696 PXIPRDQVLOCEOQ-HMMYKYKNSA-N 479.536 7.264 50 10 JKGE CSc1sc(C)cc1[C@@H]1C(C#N)=C(N)N(c2ccc([N+](=O)[O-])cc2Cl)C2=C1C(=O)CCC2 27550429 PGFZGSRJXBZZTG-LJQANCHMSA-N 487.006 5.645 50 10 JKGE CCOC(=O)c1c(-n2c(C)cc(/C=C(/C#N)C(=O)NCc3ccco3)c2C)sc2c1CCCC2 33409385 MLUMJKHQHOUJQM-UYRXBGFRSA-N 477.586 5.028 50 10 JKGE COc1ccc(/C(C)=N/NC(=O)CSc2nnc(SCc3ccccc3Cl)s2)cc1 33530531 IIIOZCRFRVKPNI-LPYMAVHISA-N 479.052 5.125 50 10 JKGE CCCCOc1ccccc1/C=C(/C#N)C(=O)Nc1ncc(Cc2cccc(Cl)c2)s1 33574466 WWVDVVXKOQIHJM-RGEXLXHISA-N 451.979 6.112 50 10 JKGE Cc1ccc(S(=O)(=O)/C(C#N)=C\c2c(Oc3ccc(C)cc3C)nc3c(C)cccn3c2=O)cc1 34782536 QSIXBVPDUHIXJV-JCMHNJIXSA-N 485.565 5.059 50 10 JKGE CC1=C(C#N)C(=O)N(C2CCCC2)C(=O)/C1=C/c1cn(-c2ccccc2)nc1-c1ccc(C)cc1 38607813 RWLQIEVBOVHRDR-PCLIKHOPSA-N 462.553 5.383 50 10 JKGE CC(C)c1ccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)[C@H](C)Oc4ccc(F)cc4)ccc32)cc1 38649541 DEGFODVHYHHGPT-MRDQGFSESA-N 472.516 5.540 50 10 JKGE COc1ccc(C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@H]3c2ccc(Cl)cc2Cl)cc1 38655137 HBMUDENKTCMJKQ-QFIPXVFZSA-N 467.308 5.439 50 10 JKGE COc1cccc(NC(=O)/C(C#N)=C\c2c(Oc3ccc(Cl)c(C)c3)nc3ccccn3c2=O)c1 39858748 WPCAAYBSNSTQGQ-LGMDPLHJSA-N 486.915 5.003 50 10 JKGE Nc1c(NNC(=O)c2ccc(Cl)cc2Cl)ncnc1Nc1ccc(Oc2ccccc2)cc1 40793512 AINFWUDFLPDJMY-UHFFFAOYSA-N 481.343 5.658 50 10 JKGE CC(C)(C)c1cc(/C=N/NC(=O)CN(Cc2ccccc2)Cc2ccccc2)cc(C(C)(C)C)c1O 59151575 OVKKOONEAGXJIZ-BIZUNTBRSA-N 485.672 6.140 50 10 JKGE C[C@H](Oc1ccc(Cl)cc1Cl)C(=O)N/N=C/c1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1 59153216 BEANPWBLBSHQOY-ZKJHFGPLSA-N 465.421 6.212 50 10 JKGE O=C(N/N=C1/C(=O)N(Cc2cccc3ccccc23)c2ccccc21)c1cc2ccccc2cc1O 59159371 ZMHZZFGRUJANHD-CCFHIKDMSA-N 471.516 5.380 50 10 JKGE CCOc1cccc(NC(=O)/C(C#N)=C\c2ccc(COc3ccc(Cl)c(Cl)c3)cc2)c1 97499157 UIAJMRLUUFFDMD-UNOMPAQXSA-N 467.352 6.517 50 10 JKGE COc1cc(Br)c(OCCCCCCCCCBr)cc1Br 97798253 VTOZPKQWEVPVCL-UHFFFAOYSA-N 487.070 6.725 50 10 JKGE CCc1ccc(N2C(=O)[C@@H](Cc3ccc(C)cc3)S/C2=C(/C#N)C(=O)NCc2ccccc2)cc1 101240803 JPIZNSMRMOVQGG-SJCFVWOQSA-N 481.621 5.300 50 10 JKGE CCOc1ccc(-c2csc(/C(C#N)=C\Nc3cc4oc5ccccc5c4cc3OC)n2)cc1 102418039 CCGZIDKBGPIBQA-SDXDJHTJSA-N 467.550 7.093 50 10 JKGE Clc1ccc(C[C@@H](Br)c2cc(Br)sc2Br)cc1Cl 109869838 MOTVNZGQKCXIEZ-MRVPVSSYSA-N 493.873 7.259 50 10 JKGE Fc1ccc(Br)c(C[C@@H](CBr)c2ccccc2Br)c1 118665076 ZIIFCNHNCVTFAM-NSHDSACASA-N 450.971 6.072 50 10 JKGE CCOc1ccc([C@@H](Cl)c2cccc(I)c2)c(Br)c1 126680231 ZSXSRVUXHYMLJE-HNNXBMFYSA-N 451.529 5.781 50 10 JKGE C[C@@H]1COc2ccc([C@@H](Br)c3cc(Br)c(Br)s3)cc2OC1 128566600 DONQUQUGWHSUJJ-XLKFXECMSA-N 497.046 6.165 50 10 JKGE COc1cc([C@@H](Br)c2cc(Br)c(C)cc2Br)ccc1C 128798699 IPRDJWAENFIBSY-MRXNPFEDSA-N 463.007 6.321 50 10 JKGE Fc1cc(Br)cc(F)c1[C@@H](Cl)c1csc2c(Br)cccc12 163488836 ZSZIICAEJWMMNW-AWEZNQCLSA-N 452.545 7.033 50 10 JKGE CCOc1cc(Cl)c([C@@H](Br)c2cccc(I)c2)cc1Cl 164577209 UUTLKQCXJRZBIY-HNNXBMFYSA-N 485.974 6.481 50 10 JKGE CCOc1cc(/C=N/NC(=O)Nc2ccccc2)ccc1OCc1ccc(Cl)cc1Cl 169885050 GEGZNYBLYFLVLP-VULFUBBASA-N 458.345 6.127 50 10 JKGE Cc1cc(I)ccc1NC(=O)/C(C#N)=C\Nc1cccc(Cl)c1Cl 217253689 PFTKQUREOMMFGE-LUAWRHEFSA-N 472.113 5.365 50 10 JKGE CCCOc1ccc([C@H](Br)c2cccc(Cl)c2Cl)cc1Br 229007496 QJPAQHATQBBESE-HNNXBMFYSA-N 453.001 7.029 50 10 JKGE C[C@@H]1CCC[C@H](NC(=O)[C@H](c2ccc(F)cc2)N(Cc2ccccc2Cl)C(=O)CCl)[C@@H]1C 230277663 KIAOROMIOPECFI-PVNHUGKBSA-N 479.423 5.729 50 10 JKGE O=C(NC[C@H](Br)c1ccccc1)c1cc(Br)sc1Br 232472266 MKYDOCYUZPFMLX-JTQLQIEISA-N 468.008 5.139 50 10 JKGE Cl[C@@H](c1cc(Br)sc1Br)c1cc(Br)cc2c1OCC2 236031146 YXTPMOHNEYFAMH-LLVKDONJSA-N 487.438 6.299 50 10 JKGE CC(C)(C)c1cc(C=NNC(=O)c2cc(C34CC5CC(CC(C5)C3)C4)n[nH]2)cc(C(C)(C)C)c1O 254700740 BAWUPEHYOQYUCA-UHFFFAOYSA-N 476.665 5.942 50 10 JKGE Cc1cc(C=NNC(=O)Cc2ccc(C(F)(F)F)cc2[N+](=O)[O-])c(C)n1-c1cccc2ccccc12 254838753 RULUKAXXABRKRS-UHFFFAOYSA-N 494.473 5.867 50 10 JKGE C/C(C=O)=C\CC[C@H](C)[C@@H]1CC[C@]2(C)C3=C(CC[C@]12C)[C@@]1(C)CCC(=O)C(C)(C)[C@@H]1CC3=O 257469890 KZOBOICRKKYGAQ-WMCPXQGTSA-N 452.679 7.045 50 10 JKGE biogenic Clc1ccc(C(CBr)(CBr)Cc2ccc(Br)o2)cc1 378965531 BBLCDEDVOGIFJA-UHFFFAOYSA-N 471.414 5.966 50 10 JKGE C[C@H](Cl)c1nc2cc(I)ccc2n1[C@H]1CCN(Cc2ccccc2)[C@@H](C)C1 379613659 XHXGLDHLODZVGD-BXWFABGCSA-N 493.820 6.166 50 10 JKGE CO[C@H]1CCCC[C@H]1Oc1c(Br)cc(Br)cc1CBr 382204761 GXYBLIASYIJTQV-QWHCGFSZSA-N 457.000 5.443 50 10 JKGE CC(C)(C)OC(=O)N1C[C@@H](CBr)[C@H](c2ccc(Cl)cc2Br)C1 382692728 JIECCWZZGQRUGI-ZWNOBZJWSA-N 453.602 5.448 50 10 JKGE Cc1c(Cl)ccc2nc([C@@H](C)Cl)n(CCCN(Cc3ccccc3)Cc3ccccc3)c12 390480712 LEOSVOJCKGKGST-OAQYLSRUSA-N 466.456 7.390 50 10 JKGE CC1(C)COc2c([C@H](Br)c3sccc3Br)cc(Br)cc21 688194881 NZKPZGKREJTFTO-LBPRGKRZSA-N 481.047 6.427 50 10 JKGE CC(C)(C)N(CCCBr)C(=O)c1ccc(Br)cc1Br 691004701 UJYHSTWEXCZMBT-UHFFFAOYSA-N 456.016 5.237 50 10 JKGE Clc1ccc(I)c(C[C@@]2(CBr)CCC=CCCC2)c1 719087332 VRLDRBAUNBRNSY-MRXNPFEDSA-N 453.589 6.389 50 10 JKGE BrCC(CBr)(CCc1ccns1)c1cccc(Br)c1 719885087 GWCZTSUREAVHFS-UHFFFAOYSA-N 468.052 5.566 50 10 JKGE Cc1cc(C=NNC(=O)[C@@H](C)SCc2ccccc2)c(C)n1-c1ccc(Br)cc1 1083946891 QQKLGPQGPAJCDW-GOSISDBHSA-N 470.436 5.629 50 10 JKGE O=C(CCc1ccccc1O)NN=Cc1ccccc1Oc1ccc(C(F)(F)F)cc1[N+](=O)[O-] 1084077677 YHTFURCTCJOIFW-UHFFFAOYSA-N 473.407 5.194 50 10 JKGE C/C(=N/NC(=O)c1cc2ccccc2cc1O)c1ccc2c(c1)[C@@H]1C=CC[C@H]1[C@H](c1ccccc1)N2 1615006950 TVKWLAPEUOAAHY-XOXCHHIKSA-N 473.576 6.526 50 10 JKGE Cc1cccc(C(=O)NN=C2CCCc3oc(C(=O)Oc4ccc(Cl)c(C)c4)c(C)c32)c1 1772743688 IRQNLHYGKVWEDB-UHFFFAOYSA-N 450.922 5.548 50 10 JKGE N#CC1=C(N)Oc2c(c(-c3ccccc3)nn2Cc2ccccc2Cl)[C@@H]1c1cccc(O)c1 1865681832 YDHQSYOPPVDSHM-JOCHJYFZSA-N 454.917 5.176 50 10 JKGE CCn1nc(C(F)(F)F)c2c1OC(N)=C(C#N)[C@H]2c1c(OCc2ccccc2)ccc2ccccc12 1865704425 VIYIXDZPZXGTLT-QFIPXVFZSA-N 490.485 5.872 50 10 JKGE CCN(Cc1ccccc1)c1ccc([C@@H]2C(C#N)=C(N)Oc3c2c(C)nn3Cc2ccc(F)cc2)cc1 1865707404 WHRPNZHOKJQJQJ-MUUNZHRXSA-N 493.586 5.624 50 10 JKGE CCc1nn(-c2ccc(Br)cc2)c2c1[C@@H](c1ccc(C(F)(F)F)cc1)C(C#N)=C(N)O2 1865710843 JSSBOAFYZMPGGW-SFHVURJKSA-N 489.295 5.434 50 10 JKGE N#CC1=C(N)Oc2c(c(-c3ccccc3)nn2Cc2ccc(Cl)cc2)[C@H]1c1ccc(O)c([N+](=O)[O-])c1 1865714699 NTNHWSKCVHQUKZ-QFIPXVFZSA-N 499.914 5.084 50 10 JKGE CCOC(=O)c1c(NC(=O)C(Cl)Cl)sc(C)c1-c1ccc(Br)cc1 1865989510 NUAWTEUQGJVGOL-UHFFFAOYSA-N 451.169 5.405 50 10 JKGE CCOc1ccc(CC/C(O)=C(\C#N)c2nc(-c3ccc4c(c3)OCO4)cs2)cc1OC 1872752476 DSQGZUBNVWGSEK-ZPHPHTNESA-N 450.516 5.372 50 10 JKGE CCCCCCCOc1ccc(-c2csc(/C(C#N)=C(\O)CCCOc3ccc(C)cc3)n2)cc1 1872753069 GLCDLTYXZAXEBF-SGEDCAFJSA-N 490.669 8.120 50 10 JKGE CCOc1cc(/C=C(\C#N)c2nc(-c3c(C)cc(C)cc3C)cs2)ccc1OCc1ccc(C)cc1 1872794244 QOFNYGGZVJFLBU-CVKSISIWSA-N 494.660 8.086 50 10 JKGE COC(=O)c1c(NC(=O)COc2ccc(OC)cc2C(C)(C)C)sc(/C(C)=C/C#N)c1C 1873427991 HAWFGSLDIGYPFJ-GXDHUFHOSA-N 456.564 5.094 50 10 JKGE O=S(=O)(c1cc(F)c(Cl)c(CBr)c1)N(Cc1ccccc1)Cc1ccccc1 1885383829 ZNXPWQQHGALECK-UHFFFAOYSA-N 482.802 5.765 50 10 JKGE CC(F)(F)[C@@H]1C[C@H]1[C@H](Cl)c1c(Br)sc(Br)c1Br 1906226392 WBLSQVQKHGFCJA-FXFZYULNSA-N 473.402 6.607 50 10 JKGE O=S(=O)(c1ccc(CCl)cc1Br)N(Cc1ccccc1)Cc1cccs1 1914893531 XMJRNTKNTPKWNS-UHFFFAOYSA-N 470.841 5.641 50 10 JKGE COc1ccc(Br)c(CN(Cc2ccccc2)[C@@H](CBr)C(C)C)c1 1915271120 SOBDWJWCMPEFCO-FQEVSTJZSA-N 455.234 5.879 50 10 JKGE O=C(c1cc(Br)c(Br)s1)N1[C@H]2CCC[C@H]1CC(Br)C2 1922806563 KFJGYLPDEDPSJY-IUCAKERBSA-N 472.040 5.194 50 10 JKGE CC(C)(C[C@H](Br)c1c(Br)sc(Br)c1Cl)C1CC1 1923050147 QTYWBJRKMPSMMU-ZETCQYMHSA-N 465.476 7.189 50 10 JKGE Clc1c(Br)sc(Br)c1[C@H](Br)[C@]12CCCC[C@H]1OCC2 1923067802 IWZYPJYDQTZIKK-IDALBHDPSA-N 493.486 6.712 50 10 JKGE C[C@@H](c1ccncc1Br)[C@@H](Br)c1ccc(Br)c(Cl)c1 1924041962 YDWXKMKKZFLJMN-RMLUDKJBSA-N 468.414 6.500 50 10 JKGE CC(C)=CCCCCCC[C@H]1[C@H](CC=C(C)C)[C@@H](O[Si](C)(C)C)C[C@H]1O[Si](C)(C)C 1933278096 RZDOPDZMBDSQRN-SSUZURRFSA-N 452.872 8.726 50 10 JKGE C[C@H]1CN(c2ccc(CBr)c(Br)c2)[C@H](C)CN1Cc1ccccc1 1946784190 XRSKJZZBBWUCOT-JKSUJKDBSA-N 452.234 5.443 50 10 JKGE Cn1ncc([C@@H](Br)c2ccc(Br)cc2Br)c1Br 2024279782 RJCCBMARHBVGQI-JTQLQIEISA-N 487.815 5.192 50 10 JKGE CCc1sc(Br)cc1[C@H](Cl)c1cc(Br)ccc1Br 2030219842 KDAKIYBKCZXMMD-CYBMUJFWSA-N 473.455 6.926 50 10 JKGE CS(=O)(=O)c1sccc1[C@@H](Br)c1cc(Cl)c(Br)s1 2033137448 WFSBUOBDHIEMCM-MRVPVSSYSA-N 450.626 5.113 50 10 JKGE Fc1cc(Cl)c(Br)cc1[C@H](Cl)c1cc(Br)sc1Br 2036575973 HHDGWWKWXHGBKY-JTQLQIEISA-N 497.836 7.156 50 10 JKGE COc1cc(F)c(Br)cc1[C@H](Br)c1cscc1OCc1ccccc1 2038685929 INYZZVNPMVUAQT-IBGZPJMESA-N 486.200 6.722 50 10 JKGE BrCc1cc(-c2ccccc2)nn1Cc1cccc(I)c1 2070066714 FKTCPFIWKRYGQS-UHFFFAOYSA-N 453.121 5.098 50 10 JKGE Cc1c(Br)ccc([C@H](Cl)c2cnn(C)c2Br)c1Br 2083329931 JAGJSTFPUHUQKG-NSHDSACASA-N 457.391 5.344 50 10 JKGE Brc1cc(Br)cc([C@@H](Br)c2ncn3ccsc23)c1 2083981754 DXNMMRZTFYRAAH-SNVBAGLBSA-N 450.981 5.405 50 10 JKGE CCOc1ccc([C@H](Cl)c2csc(Br)c2Br)cc1Br 2093942599 WBKVJVMGGOAIKY-LBPRGKRZSA-N 489.454 6.763 50 10 JKGE ClC[C@@H](Cc1c(Br)cccc1Br)c1ccc(Br)cc1 2094096603 ZHLZYCHKQIVNKC-LLVKDONJSA-N 467.426 6.539 50 10 JKGE CC1(C)CCC[C@@]1(CBr)NC(=O)c1scc(Br)c1Br 2094151850 RWGJAFVSDSTVLI-ZDUSSCGKSA-N 474.056 5.347 50 10 JKGE Cc1cccc([C@@H](Cl)c2cc(C3CC3)c(Br)s2)c1I 2094673171 ICEWXMTYWHBRRD-CYBMUJFWSA-N 467.597 6.629 50 10 JKGE C[C@H](COCc1ccccc1)Cn1c([C@@H](C)Cl)nc2cc(Br)c(Cl)cc21 2103814929 IPEVBACRTWMJKO-UONOGXRCSA-N 456.211 6.605 50 10 JKGE CC(C)CO[C@@H]1[C@@H](Br)C[C@@H]1Oc1ccc(Br)cc1Br 2109256741 FHHGQEKRZTWLKX-FPMFFAJLSA-N 457.000 5.167 50 10 JKGE COc1c(Cl)cc(Br)cc1[C@@H](Br)c1cc(C)c(Br)s1 2138243189 NSTLLMQGHFSBKM-LLVKDONJSA-N 489.454 6.728 50 10 JKGE Cc1c(Br)ccc([C@@H](Cl)c2ccc(Br)c(Cl)c2)c1Br 2138860274 DOOJTDCDFFTWPN-AWEZNQCLSA-N 487.844 7.264 50 10 JKGE Cc1c(Br)ccc([C@H](Br)C2(C)C(C)(C)C2(C)C)c1Br 2138867096 WOCZSBYWMDHCGU-ZDUSSCGKSA-N 453.056 7.028 50 10 JKGE Cc1oc(C)c([C@H](Br)c2ccc(Br)c(C)c2Br)c1C 2138875718 IPFXWJWOPUCOMJ-OAHLLOKOSA-N 450.996 6.523 50 10 JKGE COc1ccccc1C[C@@H](Br)c1ccc(Br)cc1I 2142279920 WPYIAXPSISPMEC-CYBMUJFWSA-N 495.980 5.741 50 10 JKGE Brc1cccc([C@H](Br)c2ccc3c(c2)CCCC3)c1Br 2148750055 KFFNXGBWAQGRBT-MRXNPFEDSA-N 459.019 6.575 50 10 JKGE C[C@@H]1CC[C@H](O[C@](C)(CI)c2ccccc2Br)[C@H](C)C1 2152467052 FJRAWLPJPWNAMT-UTJXIGIESA-N 451.186 5.941 50 10 JKGE O=C(NC[C@@H]1CCCC[C@@H](Br)C1)c1ccc(I)c(Cl)c1 2163746380 ROPTXFPEAMRNRB-ZYHUDNBSSA-N 470.576 5.018 50 10 JKGE C[C@@H]1C[C@H](n2c(CCCl)nc3cc(I)ccc32)CN(Cc2ccccc2)C1 2184261514 YHQXEICTTPXYTO-APWZRJJASA-N 493.820 5.505 50 10 JKGE CC[C@@]12CC[C@@]([C@@H](Br)c3cc(Br)c(C)cc3Br)(CO1)C2 2201822804 HQWZYTUBSFXPDI-JYJNAYRXSA-N 467.039 6.305 50 10 JKGE COc1c(Cl)cc(Br)cc1[C@H](Cl)c1cccc(C)c1I 2202998648 OAEBOABIFKQOJR-CYBMUJFWSA-N 485.974 6.352 50 10 JKGE COc1c(Cl)cc(Br)cc1[C@@H](Br)c1c(Cl)cccc1Cl 2202999655 CCWDEXDZTZFARN-CYBMUJFWSA-N 459.392 6.902 50 10 JKGE COc1c(Cl)cc(Br)cc1[C@@H](Br)c1ccc(F)c(Br)c1 2203004395 UVAQPWNIMCYZHN-ZDUSSCGKSA-N 487.388 6.497 50 10 JKGE COc1c(Br)cc(C)cc1[C@H](Br)c1ccc(Br)c(F)c1 2203829214 IUEKCXBJTQHOFR-CQSZACIVSA-N 466.970 6.152 50 10 JKGE Fc1ccc(CO[C@@H](CI)c2ccccc2Cl)c(Br)c1 2206264416 GOAKOJQWCXAFHD-HNNXBMFYSA-N 469.519 5.935 50 10 JKGE Clc1cc(Br)ccc1C[C@H](Br)c1ncsc1Br 2215855135 YMTSLZNQESLWQY-QMMMGPOBSA-N 460.416 6.000 50 10 JKGE C[C@H](C[C@H](Br)c1cc(Br)c(Br)cc1F)C(F)(F)F 2218595709 AJKMRSMJOVCOKY-VDTYLAMSSA-N 456.897 6.375 50 10 JKGE C[C@@H](COCc1ccccc1)n1c(CCCl)nc2cc(Br)c(Br)cc21 2218657168 KTAKABZPIIXOHX-ZDUSSCGKSA-N 486.635 6.120 50 10 JKGE Fc1ccc(Cl)c(F)c1[C@H](Br)c1sc(Br)cc1Br 2219408903 RDKVFSLNLBWQIV-VIFPVBQESA-N 481.381 6.689 50 10 JKGE Fc1ccc([C@H](Br)c2cc(Br)c(Br)cc2F)c(Cl)c1 2225635934 YDSLKJYOQYDQTQ-ZDUSSCGKSA-N 475.352 6.628 50 10 JKGE Cn1nc(Br)c([C@@H](Br)c2csc3c(Br)cccc23)n1 2226988370 YMBUAAPEOSPUOP-VIFPVBQESA-N 465.996 5.039 50 10 JKGE Cc1ccc(Br)cc1[C@H](Br)Cc1ccc(Br)cc1Cl 2229148072 ATNMJEXQZUSXMY-CQSZACIVSA-N 467.426 6.852 50 10 JKGE CCn1ncc(Br)c1[C@@H](Br)c1c(Br)cc(C)c(Cl)c1C 2232510914 OGPAOYYFYNVGER-LBPRGKRZSA-N 485.445 6.183 50 10 JKGE Clc1cc(Br)c([C@H](Br)[C@@H]2CO[C@H]3COC[C@H]23)c(Cl)c1Cl 2232515183 XRRJJLYUDWWCTF-GMVJNNPSSA-N 465.396 5.507 50 10 JKGE FC(F)(F)[C@@H]1CC[C@@H]1COc1c(Br)cc(Br)cc1CBr 2232683551 FVFBIFWPKGFBGW-GMSGAONNSA-N 480.944 6.074 50 10 JKGE Cc1cc(Br)c([C@H](Br)C2(F)CC3(CCC3)C2)c(C)c1Br 2235610710 SHTJVIOJRPUVAR-AWEZNQCLSA-N 469.030 6.937 50 10 JKGE Fc1cc(F)c([C@@H](Cl)c2ccc(Br)cc2Br)c(F)c1Br 2236101763 COPCJCLZRWYDSH-LBPRGKRZSA-N 493.342 6.720 50 10 JKGE Cc1c(Br)sc([C@H](Cl)c2scc(Br)c2Cl)c1Br 2246467254 KHTJGQVHSGQZTC-ZETCQYMHSA-N 499.902 7.387 50 10 JKGE C[C@@](CBr)(O[C@@H]1CCN(Cc2ccccc2)C1)c1ccccc1Br 2250365271 HCBRSOXAIXGMBB-XLIONFOSSA-N 453.218 5.350 50 10 JKGE C[C@H]([C@H](Br)c1c(F)cc(Br)c(F)c1Br)C(C)(F)F 2260072773 CRPXUBRZPMLTOI-VHWMUFPASA-N 456.897 6.217 50 10 JKGE COc1ccc([C@@H](Br)c2cocc2Br)c(OC)c1Br 2270464562 PXLWAPAVDOYTEH-LLVKDONJSA-N 454.940 5.306 50 10 JKGE CC(C)c1ccc([C@](C)(CI)O[C@H]2CCN(Cc3ccccc3)C2)cc1 2272051689 XWJSQIUFSDQBBZ-GOTSBHOMSA-N 463.403 5.751 50 10 JKGE C=CC[C@]1(CBr)CCCN1C(=O)c1cc(Br)sc1Br 2272153983 OTVMQSGJGONMOK-CYBMUJFWSA-N 472.040 5.219 50 10 JKGE C[C@H](C1CCCC1)[C@H](Br)c1c(F)cc(Br)c(F)c1Br 2272843732 UMMFWKZUDXSKSU-KRTXAFLBSA-N 460.982 6.752 50 10 JKGE COc1c(C)cc(C)cc1[C@H](Br)c1cc(Br)c(Br)s1 2277912117 OVWICMOYJJOPSP-LBPRGKRZSA-N 469.036 6.383 50 10 JKGE C=CC[C@]1(CBr)CCCN(C(=O)c2csc(Br)c2Br)C1 2287762266 AEKIGXKMUPMRGN-CQSZACIVSA-N 486.067 5.467 50 10 JKGE Fc1cc(Br)c(F)c(Br)c1[C@H](Br)C(F)(F)[C@@H]1CCOC1 2288364658 UHPBQPCWEKYJAS-GCXOYZPQSA-N 484.907 5.598 50 10 JKGE Cc1ccccc1C[C@@H]1SC(=C(C#N)C(=O)Nc2ccc(F)cc2)N(c2ccc(Cl)cc2)C1=O 2296633565 KDXLRSWOPLHZBC-QHCPKHFHSA-N 491.975 5.853 50 10 JKGE COc1ccc(NC(SCc2ccccc2C)=C(C#N)S(=O)(=O)c2ccccc2)cc1Cl 2297350110 WIUYGHQETHFMND-UHFFFAOYSA-N 485.030 6.169 50 10 JKGE Cc1c(C=C(C#N)C(=O)N[C@H](C)c2ccccc2)c2ccccn2c1C(=O)c1ccc(F)cc1 2297388054 XGEDTPZXDHMALD-LJQANCHMSA-N 451.501 5.402 50 10 JKGE Cc1ccc(C)c(NC(=O)C(C#N)=Cc2ccc(Oc3ccc([N+](=O)[O-])cc3[N+](=O)[O-])cc2)c1 2297672511 VYHGGPUWZUWKSA-UHFFFAOYSA-N 458.430 5.458 50 10 JKGE C[C@H](N=Nc1ccc([N+](=O)[O-])cc1)P(=N[S+](C)(C)=O)(c1ccccc1)c1ccccc1 2297730922 RKPLZKZCZNWPNP-GOSISDBHSA-N 455.500 5.551 50 10 JKGE Brc1cc(OCc2ccccc2)ccc1[C@H](Br)[C@@H]1C[C@]12CCOC2 2299506554 BHQHWKMEFVVQPJ-IHPCNDPISA-N 452.186 5.891 50 10 JKGE Cc1nc([C@@H](Cl)c2ccc(OCc3ccccc3)cc2Br)c(Br)s1 2299520847 CSELPKDEDGZCSR-INIZCTEOSA-N 487.644 6.884 50 10 JKGE CC(C)C[C@@H]1C[C@@H]1[C@H](Br)c1cc(Br)ccc1OCc1ccccc1 2299527067 DIISEPOTUBSRQO-MMOPVJDHSA-N 452.230 7.146 50 10 JKGE CCN[C@H](c1cc(Br)ccc1OCc1ccccc1)C1CC(Br)C1 2299530280 KRRNRQHVAYMSOA-LAGYLCCXSA-N 453.218 5.852 50 10 JKGE CC(F)(F)C1([C@@H](Br)c2ccc(OCc3ccccc3)cc2Br)CC1 2299535057 KVDAMVHUYYPCMW-KRWDZBQOSA-N 460.156 6.900 50 10 JKGE CCc1sc(Br)cc1[C@H](Br)c1csc(C)c1Br 2303643384 DKZOFSYLAMGAAT-LBPRGKRZSA-N 459.066 6.690 50 10 JKGE CCOc1cc(C=C(C#N)C(=O)Nc2ccccc2C)cc(Br)c1OCc1ccccc1 2313518191 RFBXBXBAWHMHNP-UHFFFAOYSA-N 491.385 6.281 50 10 JKGE CCOC(=O)C(C#N)=Cc1cc(Br)c(OCc2ccc(Cl)cc2)c(OC)c1 2313521267 AYWLUMSNDYUNFQ-UHFFFAOYSA-N 450.716 5.160 50 10 JKGE CN(C)C(=O)C(C#N)=Cc1cc(Br)c(OCc2ccc(Cl)cc2)c(Br)c1 2313567327 IZIXCVXENOYVNP-UHFFFAOYSA-N 498.602 5.439 50 10 JKGE CCOc1cc(C=C(C#N)C(=O)Nc2cccc(Cl)c2)ccc1OC(=O)c1ccc(Cl)cc1 2313631785 VOKKILVXKRATAU-UHFFFAOYSA-N 481.335 6.157 50 10 JKGE CCn1cc(Br)c([C@@H](Cl)c2cc(Br)ccc2OCc2ccccc2)n1 2314446548 UNFIDWPLJZDYNR-SFHVURJKSA-N 484.619 6.335 50 10 JKGE Brc1ccc(OCc2ccccc2)c([C@H](Br)[C@@H]2CO[C@@H]3COC[C@H]32)c1 2314454294 FLFLDIYMBAIFLZ-CUDHKJQZSA-N 468.185 5.126 50 10 JKGE C[C@@H](NC(=O)C(C#N)=Cc1cn(-c2ccccc2)nc1-c1ccc2c(c1)OCO2)c1ccccc1 2314522503 MDMOGXZRDQPFJT-LJQANCHMSA-N 462.509 5.052 50 10 JKGE CCOC(=O)c1c(NC(=O)C(C#N)=Cc2cccc3ccccc23)sc2c1CC[C@@H](CC)C2 2314572331 YQGDUMLWVJPVNP-QGZVFWFLSA-N 458.583 6.139 50 10 JKGE CCCOc1ccc(-c2nn(-c3ccccc3)cc2C=C2C(=O)N(C(C)C)C(=O)C(C#N)=C2C)c(C)c1 2314609945 AMCTXOKDMIDKJJ-UHFFFAOYSA-N 494.595 5.637 50 10 JKGE CCCCOc1cccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)C=Cc4ccc(OC)cc4)ccc32)c1 2314634726 CZJMZDUJTBIJNX-LJAQVGFWSA-N 496.563 5.711 50 10 JKGE CCCCCOc1cccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)C=Cc4ccccc4)ccc32)c1 2314634815 PFCIOGACAMVPQN-GDLZYMKVSA-N 480.564 6.093 50 10 JKGE Brc1cc([C@@H](Br)[C@@H]2C[C@@H]3CCCCCC[C@@H]32)c(Br)s1 2329821565 JYIJYMGMRRBHRP-DYNIEEOBSA-N 471.096 7.316 50 10 JKGE CC(C)(C)c1ccc(OCCCC(O)=C(C#N)c2nc(-c3cccc([N+](=O)[O-])c3)cs2)cc1 2331235027 HEAJPMOYZYMBOQ-UHFFFAOYSA-N 463.559 6.668 50 10 JKGE CCCOc1ccc(-c2csc(C(C#N)=C(O)c3ccc(Cl)cc3)n2)cc1OCCC 2331293299 SZAGEEWPFKIMBC-UHFFFAOYSA-N 454.979 6.991 50 10 JKGE CCCOc1ccc(-c2csc(C(C#N)=C(O)c3c(F)cccc3Cl)n2)cc1OCCC 2331293739 WZQGYJXHPIWOHI-UHFFFAOYSA-N 472.969 7.130 50 10 JKGE Cc1cc(-c2csc(C(C#N)=C(O)[C@H](C(C)C)N3C(=O)c4ccccc4C3=O)n2)ccc1F 2331320366 FMVBWSHIEBIWCA-NRFANRHFSA-N 461.518 5.371 50 10 JKGE CCCCCCCOc1ccc(-c2csc(C(C#N)=C(O)c3ccc(-n4cccc4)cc3)n2)cc1 2331345907 IWZQNZQMUJCOPC-UHFFFAOYSA-N 483.637 7.900 50 10 JKGE COc1ccc(OC)c(CC(O)=C(C#N)c2nc(-c3cc(Cl)c(OC)cc3OC)cs2)c1 2331377588 PHFMWZDRXGQPNR-UHFFFAOYSA-N 472.950 5.533 50 10 JKGE COc1ccc(-c2csc(C(C#N)=C(O)C=Cc3ccc(C(C)(C)C)cc3)n2)cc1Cl 2331398262 ZKNYYJFIUFFHDM-UHFFFAOYSA-N 450.991 7.276 50 10 JKGE COc1ccc(OC)c(C=CC(O)=C(C#N)c2nc(-c3cc(Cl)ccc3OC)cs2)c1 2331411011 DRTUVKUBHBFSSL-UHFFFAOYSA-N 454.935 5.995 50 10 JKGE CCc1ccc(OCCCC(O)=C(C#N)c2nc(-c3ccc(OC)c(OC)c3OC)cs2)cc1 2331412895 QZEOEHHBEGZVTK-UHFFFAOYSA-N 480.586 6.050 50 10 JKGE CCOc1ccc(OCC)c(-c2csc(C(C#N)=Cc3ccc(OCc4ccc(C)cc4)cc3)n2)c1 2331470165 ORDQRTWWRBKQNY-UHFFFAOYSA-N 496.632 7.559 50 10 JKGE CN(c1ccc(Br)cc1CBr)[C@H]1C[C@@H]2C[C@H](OCc3ccccc3)C[C@H]12 2332003381 UDXPJJYFCZYSDI-CJFIXGCPSA-N 479.256 6.164 50 10 JKGE CCc1nn(C)c([C@H](Cl)c2ccc(OCc3ccccc3)cc2Br)c1Cl 2336049110 ZVIDJABFGDUBJI-GOSISDBHSA-N 454.195 6.306 50 10 JKGE COc1ccc([C@H](Br)c2c(Br)c(Br)nn2C)cc1Cl 2338722373 MEIWQFPCFSHUNR-VIFPVBQESA-N 473.390 5.091 50 10 JKGE CCCCCCC[C@@H](Br)c1c(C)cc(Br)c(F)c1Br 2339646343 QARXDNOGADHJGW-LLVKDONJSA-N 459.035 7.456 50 10 JKGE Cc1cc(Br)c(F)c(Br)c1[C@H](Br)C[C@H]1CC[C@H](C)O1 2339652706 BTBICASNNKRORQ-IVZWLZJFSA-N 458.991 6.053 50 10 JKGE COc1c(Br)cc(C)c([C@H](Br)[C@@H](C)C(C)(C)C)c1Br 2339654689 UMIMLSGFJGWQJW-BXKDBHETSA-N 457.044 6.647 50 10 JKGE Clc1ccc(CO[C@@H](CBr)c2ccccc2)c(I)c1 2340110378 PBXQJFRNVILWJG-HNNXBMFYSA-N 451.529 5.597 50 10 JKGE Cc1ccc(CCl)cc1NCc1ccc(I)c(Br)c1 2349828565 LUGOMFBBAPGEDA-UHFFFAOYSA-N 450.545 5.713 50 10 JKGE Fc1ccc([C@@H](CCl)Cc2ccc(I)c(Br)c2)cc1 2349841633 JWZPNDZQHCTIHF-GFCCVEGCSA-N 453.520 5.758 50 10 JKGE ClCc1ccc(OCc2cc(I)ccc2Cl)cc1Br 2352252357 UIOKHSRHMPYBOJ-UHFFFAOYSA-N 471.947 6.025 50 10 JKGE Cc1ccc(OCCOCCOCCOCc2ccccc2)c(CBr)c1Cl 2360729929 BTSIWTXKTJMRGZ-UHFFFAOYSA-N 457.792 5.172 50 10 JKGE Brc1ccc(OCc2ccccc2)c([C@H](Br)[C@@H]2C[C@@H]2C2CCCCCC2)c1 2361203947 GTGQHBXIWVFBRU-PQNGQFLHSA-N 492.295 8.071 50 10 JKGE Cc1cc(I)c(Oc2cc(Cl)c(F)cc2CBr)cc1Cl 2362464968 MMGUVMASKPYCOQ-UHFFFAOYSA-N 489.937 6.733 50 10 JKGE FC(F)(F)Oc1cccc([C@H](Br)c2sc(Cl)cc2I)c1 2363891575 IUKPGZFCPWIXAM-JTQLQIEISA-N 497.501 6.389 50 10 JKGE Cc1cc(Br)c(F)c(Br)c1[C@H](Br)C1CCC(C)(C)CC1 2365189862 ZCLUUCMMLKYVAD-CYBMUJFWSA-N 471.046 7.312 50 10 JKGE Cc1cc(Br)c(F)c(Br)c1[C@H](Br)[C@H]1CC12CCOCC2 2365218543 LVNFJYUFJCBSOL-BXKDBHETSA-N 471.002 5.912 50 10 JKGE CC(C)(C)[C@@H]1CC[C@H](Br)[C@@H](Cc2ccc(Cl)cc2I)C1 2366714537 JMSLURUTBVTTRD-GUTXKFCHSA-N 469.632 6.713 50 10 JKGE COC(C)(C)C1([C@@H](Br)c2c(Br)cc(C)c(Br)c2C)CC1 2369557740 MSQXUAISVLUQRS-AWEZNQCLSA-N 469.055 6.470 50 10 JKGE C[C@@H]1CCC[C@@]12[C@@H](OCc1cc(I)ccc1Cl)C[C@H]2Br 2380346350 MEXILOGDWRQJLJ-HGGPSHQYSA-N 469.588 5.803 50 10 JKGE Cc1cc(Br)c(C(C)C)cc1[C@H](Br)c1cn(C)nc1Br 2380922747 SOHDWXDSRMDHMC-AWEZNQCLSA-N 465.027 5.861 50 10 JKGE Cc1cccc(C[C@@H]2S/C(=C(\C#N)C(=O)Nc3cccc4ccccc34)N(c3ccccc3)C2=O)c1 2344282 FZLRXLQPRYFMOR-LLDNVPTHSA-N 489.600 6.213 50 10 JKGE Cc1ccc2nc(N(/N=C/c3ccc(F)cc3)C(=O)c3ccc(N4C(=O)CCC4=O)cc3)sc2c1 9628807 GMEOFPLWPOZRGF-RWPZCVJISA-N 486.528 5.078 50 10 JKGE Cc1cc(C(=O)/C(C#N)=C/c2cn(-c3ccccc3)nc2-c2cccnc2)c(C)n1-c1ccccc1F 12558488 XZXSPCJCJJEAKM-XQNSMLJCSA-N 487.538 6.271 50 10 JKGE C[C@@H](Oc1ccccc1Cl)C(=O)NNC(=O)c1ccc(NC(=O)c2ccc(C(C)(C)C)cc2)cc1 14026942 KNYLNWQTOVHYNX-QGZVFWFLSA-N 493.991 5.118 50 10 JKGE C=CCOc1ccc(Br)cc1/C=N/NC(=O)[C@H](C)Oc1ccc2ccccc2c1 20311307 OTDJAOQLPPFTRH-JZCUADNKSA-N 453.336 5.085 50 10 JKGE CC[C@@H](Nc1ccc(Br)cc1)C(=O)N/N=C/c1ccccc1OCc1ccccc1 27498315 XLLJUWBSKAEPTE-XDEFOSFOSA-N 466.379 5.369 50 10 JKGE CCNC(=O)/C(C#N)=C\c1cn(-c2ccccc2)nc1-c1ccc(OCc2ccc(Cl)cc2)cc1 33378963 ZAOUINRYPNNQIE-JWGURIENSA-N 482.971 5.815 50 10 JKGE CC1=C(C#N)C(=O)N(C)C(=O)/C1=C/c1cn(-c2ccccc2)nc1-c1ccc(OCCC(C)C)c(C)c1 38602910 PZPDBJAPVKECAN-PCLIKHOPSA-N 494.595 5.495 50 10 JKGE Cc1ccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)C(c4ccccc4)c4ccccc4)ccc32)cc1 38649332 UCGOCVGAMSTROG-GDLZYMKVSA-N 472.544 5.951 50 10 JKGE CCCCOc1ccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4ccc(F)cc4)ccc32)cc1OC 38660080 ISGYTDRCWAHTAQ-AREMUKBSSA-N 488.515 5.451 50 10 JKGE CCCOc1ccccc1[C@H]1C(C#N)=C(N)Oc2cc(OC(=O)[C@@H](C)Oc3ccc(F)cc3)ccc21 38681622 AFRCEXXGJCOJLJ-WGDIFIGCSA-N 488.515 5.206 50 10 JKGE CCOc1ccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4ccc(Br)cc4)ccc32)cc1 38685651 KZUQPIVASYQTKJ-HSZRJFAPSA-N 491.341 5.285 50 10 JKGE N#CC1=C(N)Oc2cc(OC(=O)c3ccco3)ccc2[C@H]1c1ccc(OCc2ccc(Cl)cc2)cc1 38686360 JBSFJYPGAHWLKW-AREMUKBSSA-N 498.922 5.949 50 10 JKGE CCCOc1ccccc1[C@@H]1C(C#N)=C(N)Oc2cc(OC(=O)c3cc4ccccc4oc3=O)ccc21 38700631 XPHUKZLXIPLYEC-SANMLTNESA-N 494.503 5.019 50 10 JKGE Cc1ccc(C)c(NC(=O)/C(C#N)=C\c2c(Oc3ccccc3C)nc3c(C)cccn3c2=O)c1 39858902 QCMWURCMIYSDOJ-QNGOZBTKSA-N 464.525 5.266 50 10 JKGE N#C/C(=C\c1ccc(-c2c(Cl)cccc2Cl)o1)C(=O)Nc1cccc(Cl)c1Cl 39884623 SPJOKPHUFPYNQP-PKNBQFBNSA-N 452.124 7.106 50 10 JKGE CCCCc1ccc(NC(=O)c2oc3c(c2C)/C(=N/NC(=O)c2cccc4ccccc24)CCC3)cc1 40813536 QTBJWKJQDHYDKK-MHTZHOPKSA-N 493.607 6.807 50 10 JKGE Cc1c(C(=O)N2CCc3ccccc3C2)oc2c1/C(=N/NC(=O)c1cccc3ccccc13)CCC2 40813594 BIUUJOQIHZJZEY-QCKNELIISA-N 477.564 5.410 50 10 JKGE Cc1c(C(=O)Nc2cc(C(F)(F)F)ccc2Cl)oc2c1/C(=N/NC(=O)c1cccnc1)CCC2 40814102 LTVSAJICHYNDGC-OKCVXOCRSA-N 490.869 5.378 50 10 JKGE Cc1ccc2cccc(OC(=O)c3oc4c(c3C)/C(=N/NC(=O)c3ccoc3C)CCC4)c2n1 40823572 ZGHBEAQOTMWZFI-TURZUDJPSA-N 457.486 5.036 50 10 JKGE COC(=O)c1cccc(Cn2cc(/C=C(\C#N)C(=O)Nc3ccc(Cl)cc3)c3ccccc32)c1 59117005 XZWCEZOLTKOASJ-XSFVSMFZSA-N 469.928 5.675 50 10 JKGE Cc1nn(C)c(C[C@H](CBr)Cc2cccc(Br)c2)c1Br 97184704 ZYQJVELBFMYPLT-GFCCVEGCSA-N 465.027 5.050 50 10 JKGE CCOc1cc(/C=C(/C#N)C(=O)Nc2nc3ccccc3s2)ccc1OCc1ccc(C)cc1 102443877 LHNRAXAUBLJJLT-STZFKDTASA-N 469.566 6.128 50 10 JKGE COc1ccc([C@@H](Br)c2cc(Br)sc2Br)cc1OC 109870209 ABKNAUQPNDRHLD-GFCCVEGCSA-N 471.008 5.775 50 10 JKGE Cc1ccc([C@H](Cl)c2cc(Br)c(Br)s2)cc1Br 130494040 KAAKJPTZIIFDNG-NSHDSACASA-N 459.428 6.672 50 10 JKGE Cc1cc([C@@H](Cl)c2cc(Br)sc2Br)ccc1Br 137887628 INFBXDFLJMVWKZ-LLVKDONJSA-N 459.428 6.672 50 10 JKGE Brc1ccc([C@H](CI)O[C@@H]2CCCc3ccccc32)cc1 162077462 VGHBPDPCLAAZTO-MSOLQXFVSA-N 457.149 6.019 50 10 JKGE O=C(N/N=C\c1ccc(OC(=O)c2ccc(F)cc2)cc1)c1ccc2[nH]c3c(c2c1)CCCC3 169890184 USVYXKIVRAADFW-MWLSYYOVSA-N 455.489 5.169 50 10 JKGE CC(C)Oc1c(Cl)cc(/C=N\NC(=O)CSc2nc3ccccc3s2)cc1Cl 169892976 BABKWRFBVLSASR-AFPJDJCSSA-N 454.404 5.633 50 10 JKGE CCCOc1cccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)/C=C\c4ccc(OC)cc4)ccc32)c1 205658638 XKTAMCGJFKYXMW-FWUNHMAASA-N 482.536 5.321 50 10 JKGE CCCOc1ccc(-c2nn(-c3ccccc3)cc2/C=C2\C(=O)N(C(C)C)C(=O)C(C#N)=C2C)c(C)c1 214248138 AMCTXOKDMIDKJJ-QQXSKIMKSA-N 494.595 5.637 50 10 JKGE COc1ccc([C@@H](Br)c2ccc(Br)s2)c(OC)c1Br 224863468 DWFGVDIBANVZIF-LLVKDONJSA-N 471.008 5.775 50 10 JKGE CCOc1ccc([C@H](Br)c2ccc(Br)c(F)c2)cc1Br 228994556 ZFPWYBXOJBGDNP-HNNXBMFYSA-N 466.970 6.234 50 10 JKGE COc1ccc(C=NNC(=O)c2ccc(C)cc2OC)cc1OCc1ccc(Br)cc1 252624575 PRBMCNXVWDVSLI-UHFFFAOYSA-N 483.362 5.118 50 10 JKGE CC(=NNC(=O)COc1ccc(Cl)cc1)c1ccc(NC(=O)c2ccccc2Cl)cc1 254403724 OKXLEQWPYCJAHN-UHFFFAOYSA-N 456.329 5.165 50 10 JKGE O=C(CSc1nnc(SCc2cccc3ccccc23)s1)NN=Cc1ccccc1 254756606 WWSVMCVQGNRNHT-UHFFFAOYSA-N 450.614 5.226 50 10 JKGE CCC(C)(C)c1ccc(OCCCC(=O)NN=C(C)c2ccc(OC)cc2)c(C(C)(C)CC)c1 254846346 RUUKEXAVHIBUMF-UHFFFAOYSA-N 466.666 6.770 50 10 JKGE CC(=NNC(=O)CSc1nc2ccccc2n1Cc1ccc(C)cc1)c1ccc2ccccc2c1 254870991 KAQOWXZUCGDRMC-UHFFFAOYSA-N 478.621 6.179 50 10 JKGE CCOc1cc(C=NNC(=O)c2ccc(C)cc2OC)ccc1OCc1cccc(Cl)c1 263627510 IUVMMBJALRKWST-UHFFFAOYSA-N 452.938 5.399 50 10 JKGE Clc1cc([C@H](Br)c2cc(Br)sc2Br)cs1 306812411 ZDKGSUBHGADDTF-QMMMGPOBSA-N 451.430 6.472 50 10 JKGE Fc1c([C@H](Br)c2csc(I)c2)cnn1-c1ccccc1 312223357 CNRRRJRDYFLZMS-CYBMUJFWSA-N 463.113 5.162 50 10 JKGE Fc1c([C@@H](Br)c2csc(I)c2)cnn1-c1ccccc1 312223358 CNRRRJRDYFLZMS-ZDUSSCGKSA-N 463.113 5.162 50 10 JKGE C[C@H]1CN(c2ccc(CBr)c(Br)c2)[C@H](C)[C@H](C)N1Cc1ccccc1 404263271 FPPWKOUFERGMOF-YESZJQIVSA-N 466.261 5.832 50 10 JKGE C[C@@H]1[C@H](Br)C[C@H]2CC[C@H]1N2Cc1cc(Cl)ccc1I 686184133 GEVAIFHWRKBDBF-QGMIFYJMSA-N 454.577 5.081 50 10 JKGE CC(C)(C)OC(=O)N1CCCC[C@@H]1[C@@H]1CCC[C@]12CCC[C@@H](CI)O2 686242394 OKFXYCMHHAAMDW-MIALQEHNSA-N 463.400 5.319 50 10 JKGE COCc1cc(Br)c([C@H](Br)c2ccc(OC)c(Br)c2)s1 688060857 MCOBWBHVIYIVMO-CYBMUJFWSA-N 485.035 5.912 50 10 JKGE COCc1cc(Br)c([C@H](Br)Cc2cccc(Br)c2)s1 688141806 AIVWDEZHUGRJJF-GFCCVEGCSA-N 469.036 6.098 50 10 JKGE BrCc1ccc(Br)cc1N1CCC2(CCN(Cc3ccccc3)CC2)CC1 691941568 TUBXJGQVWDTLGP-UHFFFAOYSA-N 492.299 6.227 50 10 JKGE C[C@@H]1CCCN(C(=O)c2ccc(Br)cc2Br)[C@H]1CCBr 697201395 RUSSCJFEMAVGAN-YGRLFVJLSA-N 468.027 5.237 50 10 JKGE O=C(N[C@H](CBr)C1CCCCC1)c1scc(Br)c1Br 705437423 GWRGTJRDTXAKOE-SNVBAGLBSA-N 474.056 5.347 50 10 JKGE Cc1ccc([C@@H](Br)c2ccc(F)cc2I)c(C)c1Br 719539476 UATQIURFHKQARG-OAHLLOKOSA-N 497.971 6.294 50 10 JKGE C[C@H]1Cc2cc(Br)cc([C@@H](Br)c3ccoc3Br)c2O1 720029557 BIGOWRFKNJTXFY-MADCSZMMSA-N 450.952 5.612 50 10 JKGE O=C(Cl)/C=C\c1ccc(OCc2ccc(Br)cc2)c(I)c1 725386207 GEBHHFFSNQJKLV-YWEYNIOJSA-N 477.523 5.411 50 10 JKGE CCCCCOc1ccc([C@@H]2CN(Cc3ccccc3)C[C@H]2CI)cc1 725425516 PFTUKDRVOIXRGK-GGAORHGYSA-N 463.403 5.906 50 10 JKGE CC(=O)O[C@@H]1CC[C@]2(C)C(=CC[C@H]3[C@H]2CC[C@@]2(C)[C@H](C(=O)COC(=O)CBr)CC[C@H]32)C1 1076430892 ZSBQFTNZBNMSDA-LOLFNWSYSA-N 495.454 5.004 50 10 JKGE Cc1ccc(NC(=O)c2oc3c(c2C)C(=NNC(=O)c2cccc(Cl)c2)CCC3)cc1Cl 1772746513 WQOFPUQFCVALFK-UHFFFAOYSA-N 470.356 5.926 50 10 JKGE Cc1ccc(-n2nc(-c3ccccc3)c3c2OC(N)=C(C#N)[C@H]3c2ccc(Cl)cc2Cl)cc1 1865685226 FZMQYWXYKLGQAG-JOCHJYFZSA-N 473.363 6.373 50 10 JKGE Cc1ccc(Cn2nc(C(F)(F)F)c3c2OC(N)=C(C#N)[C@H]3c2c(Cl)cccc2Cl)cc1 1865686748 ZOOWOBABTBBNNN-INIZCTEOSA-N 479.289 5.784 50 10 JKGE Cc1ccc(O)c([C@@H]2C(C#N)=C(N)Oc3c2c(-c2ccccc2)nn3-c2cccc3ccccc23)c1 1865687280 NLWDLZHZXWBKHV-AREMUKBSSA-N 470.532 5.925 50 10 JKGE COc1ccc2ccccc2c1[C@H]1C(C#N)=C(N)Oc2c1c(-c1ccccc1)nn2Cc1ccccc1 1865688032 HAPMOICNLNDXMW-HHHXNRCGSA-N 484.559 5.978 50 10 JKGE Cc1cccc([C@H]2C(C#N)=C(N)Oc3c2c(-c2ccccc2)nn3Cc2cccc(Cl)c2)c1 1865711275 URYHOHFWISPYFY-QHCPKHFHSA-N 452.945 5.778 50 10 JKGE N#CC1=C(N)Oc2c(c(C(F)(F)F)nn2-c2cccc3ccccc23)[C@H]1c1ccc([N+](=O)[O-])cc1 1865712966 NFAJUEMXJRTRKZ-IBGZPJMESA-N 477.402 5.171 50 10 JKGE Cc1ccc(-c2nc(Nc3ccc(SC#N)cc3)cc(N3CCC(c4nc(C)n(C)n4)CC3)n2)cc1 1868320937 QVBOJPKBSCMOHG-UHFFFAOYSA-N 496.644 5.590 50 10 JKGE COc1ccccc1-c1csc(/C(C#N)=C(\O)c2ccc3c(c2)C(=O)N(C(C)(C)C)C3=O)n1 1872747175 QLRFBJAQZCBWEB-UZYVYHOESA-N 459.527 5.163 50 10 JKGE COc1c(C)cc(Cl)cc1-c1csc(/C(C#N)=C(\O)c2ccccc2C(=O)c2ccccc2)n1 1872757206 USVXJTUNEKIONA-LVWGJNHUSA-N 486.980 6.961 50 10 JKGE COc1ccc(Cl)cc1-c1csc(/C(C#N)=C(\O)c2cc([N+](=O)[O-])cc([N+](=O)[O-])c2)n1 1872758679 LDALXPBKWMNWJS-SDXDJHTJSA-N 458.839 5.238 50 10 JKGE COc1ccc(-c2csc(/C(C#N)=C/c3ccc(OCc4ccc(C)cc4)c(OC)c3)n2)cc1OC 1872781349 AOXTYAUAJKTCSP-YDZHTSKRSA-N 498.604 6.788 50 10 JKGE CCCCOc1c(Br)cc(/C=C(\C#N)c2nc(-c3ccc(C)cc3C)cs2)cc1OC 1872790502 NHNOXOKTIHQGCY-YBFXNURJSA-N 497.458 7.441 50 10 JKGE COc1ccc(C)cc1-c1csc(/C(C#N)=C(\O)CCCOc2ccc(Cl)cc2Cl)n1 1873920785 KGUYCVSHOAJHOJ-JZJYNLBNSA-N 475.397 7.086 50 10 JKGE COc1ccc(C)cc1-c1csc(/C(C#N)=C(\O)CNC(=O)c2ccc(Cl)cc2Cl)n1 1873921063 SIUNWFMAPRVYBN-MNDPQUGUSA-N 474.369 5.657 50 10 JKGE C[C@H](c1ccccc1)N1C[C@@H](/C(O)=C(\C#N)c2nc(-c3cccc([N+](=O)[O-])c3)cs2)CC1=O 1873941108 WSDNGXLMYUEDNL-JNRAWFBVSA-N 460.515 5.121 50 10 JKGE Clc1c(Br)sc(Br)c1[C@@H](Br)CC[C@@H]1CCCCO1 1923039728 QIWQPHVFWNGEHS-YUMQZZPRSA-N 481.475 6.712 50 10 JKGE FC(F)(F)C(F)(F)[C@@H](Br)c1c(Br)sc(Br)c1Cl 1923047741 CPZDBLNWIJJNQS-VKHMYHEASA-N 487.307 6.560 50 10 JKGE Brc1sc(Br)c([C@H](Br)C2CCCC2)c1Br 1924575486 BBMFCKURXMDXKB-SSDOTTSWSA-N 481.873 6.662 50 10 JKGE Clc1cc([C@H](Cl)c2c(Br)sc(Br)c2Br)cs1 1924605874 YBMBRSXKDBUTOX-ZETCQYMHSA-N 485.875 7.079 50 10 JKGE FC1(F)CCC([C@@H](Br)c2cc(Br)c(Br)s2)CC1 2008372481 GGVMOKDRMMFKGU-SECBINFHSA-N 452.984 6.535 50 10 JKGE Fc1cc(Cl)c(Br)cc1[C@H](Br)c1cc(Cl)sc1Cl 2036570597 DAHAKIFASXQRKS-JTQLQIEISA-N 453.385 7.094 50 10 JKGE Cc1c(Br)sc([C@H](Br)[C@@H]2CCC[C@H](C)CC2)c1Br 2039360610 UTDGGMVTMFZYAQ-MKPLZMMCSA-N 459.085 7.234 50 10 JKGE Clc1c(Br)sc(Br)c1[C@H](Br)[C@H]1C[C@@H]1C1CCCC1 2079392135 IMEWNLPEZSGFGB-KHQFGBGNSA-N 477.487 7.189 50 10 JKGE Fc1cc(Cl)c([C@@H](Br)c2ccccc2I)cc1Cl 2083776888 AFCSDVRIBUAPSG-ZDUSSCGKSA-N 459.911 6.221 50 10 JKGE COc1c(C)cc(Br)cc1[C@H](Br)c1csnc1Br 2085633789 CDGACQKCQDDJKM-JTQLQIEISA-N 455.997 5.469 50 10 JKGE CCc1cc(Br)c([C@H](Br)c2ccc(OC)c(Br)c2)s1 2089709217 KCKPDZJQFSIIOE-CYBMUJFWSA-N 469.036 6.328 50 10 JKGE FC1(F)CN(Cc2ccc(Br)cc2Br)CC[C@@H]1CBr 2092262410 ZMIUTHYALIVXEX-SNVBAGLBSA-N 461.970 5.064 50 10 JKGE Fc1cc(Oc2ccc(CBr)c(Br)c2)cc(F)c1Br 2092540837 AQMQZLKOOVRJDJ-UHFFFAOYSA-N 456.906 6.177 50 10 JKGE CN(Cc1ccc(Br)cc1Br)[C@@H]1CCCCC[C@H]1Br 2115916085 WCGXSWZQKHRYPO-UKRRQHHQSA-N 454.044 5.740 50 10 JKGE BrC[C@]12CCC[C@H]1CN(Cc1cc(Br)ccc1Br)C2 2118527348 DPEDJKBJBNZQSF-WFASDCNBSA-N 452.028 5.209 50 10 JKGE CC1(C)CC[C@@H](Cc2c(Br)cccc2Br)[C@H](Br)CC1 2122926845 GGTAOJDGGDLQJL-WCQYABFASA-N 453.056 6.734 50 10 JKGE Cc1c(Br)ccc([C@H](Br)C[C@@H]2CCC[C@@H]3C[C@H]23)c1Br 2138852038 MFUKLLSXEWCDHY-REJLFOLJSA-N 451.040 6.782 50 10 JKGE CC(C)(C1CCCCC1)[C@@H](Br)c1ccc(Br)cc1Br 2138861357 DNIUSKPPOPUCEG-HNNXBMFYSA-N 453.056 7.254 50 10 JKGE Cc1cc(C)c([C@@H](Br)c2ccc(Br)cc2I)c(C)c1 2142286017 AQKQNUCBGPWUFA-INIZCTEOSA-N 494.008 6.463 50 10 JKGE FC(F)(F)C1([C@H](Cl)c2c(Br)sc(Br)c2Cl)CCOCC1 2173209077 TWQVFMOGXMGJIP-SSDOTTSWSA-N 476.967 6.566 50 10 JKGE Cc1cc(Br)c(C)c([C@H](Br)C2C[C@@H]3CC[C@H](C2)O3)c1Br 2201078269 MIVFLSBDNJLLCT-DFHPZWACSA-N 467.039 6.222 50 10 JKGE COc1c(Cl)cc(Br)cc1[C@@H](Br)c1ccc(C)cc1Br 2203004192 QNNIVVVLFHNWNM-AWEZNQCLSA-N 483.425 6.666 50 10 JKGE COc1cc(F)c(Cl)cc1[C@@H](Br)c1cc(Br)cc(Br)c1 2207361705 JEZOUPVAFLYVAD-AWEZNQCLSA-N 487.388 6.497 50 10 JKGE Cc1cc(Br)c([C@@H](Br)c2sccc2Cl)c(C)c1Br 2220149313 MIGLGXIRNHVCPL-GFCCVEGCSA-N 473.455 7.028 50 10 JKGE CC1(C)C[C@H](C[C@H](Br)c2cc(Br)c(Br)cc2F)CO1 2225617247 NDJGBOLUKPMIRZ-WPRPVWTQSA-N 458.991 5.992 50 10 JKGE Cc1c(Br)ccc([C@@H](Br)[C@H]2CCCC(C)(C)O2)c1Br 2226847805 DDQMHOXBTHHKNU-TZMCWYRMSA-N 455.028 6.304 50 10 JKGE Cc1cc(Br)c([C@H](Br)[C@@H]2CCC[C@H](C)C2)c(C)c1Br 2227352382 CBJJTJYJTJJXIU-PXTQAZKISA-N 453.056 7.091 50 10 JKGE CCc1nn(C)c([C@@H](Cl)c2c(Br)sc(Br)c2Cl)c1Cl 2232174541 ZWDPRFREQVREDO-ZETCQYMHSA-N 467.441 6.204 50 10 JKGE Clc1cc(Br)c([C@@H](Br)c2cc3sccc3s2)c(Cl)c1Cl 2232514579 VSWPOJGCNKULAZ-NSHDSACASA-N 491.484 8.170 50 10 JKGE BrC[C@@H]1C[C@H]2CCCC[C@H]2N1Cc1cc(Br)ccc1Br 2240678825 DJDLSZLHJUYRLF-DIOULYMOSA-N 466.055 5.740 50 10 JKGE Clc1ccc([C@H](Br)c2sccc2Br)cc1I 2243576281 TUFOLTSRBPXJRN-JTQLQIEISA-N 492.401 6.253 50 10 JKGE CS(=O)(=O)C1CC([C@@H](Cl)c2c(Br)sc(Br)c2Cl)C1 2257623577 GSIBKDDANPQYGB-KGMSYRRLSA-N 457.036 5.030 50 10 JKGE COc1c(Cl)cc(Br)cc1[C@H](Br)c1cc(Br)co1 2258116124 FKDLDTGSCUUQRP-NSHDSACASA-N 459.359 5.951 50 10 JKGE Clc1ccc([C@H](Br)c2csc3ccccc23)cc1I 2268283707 HXVCOEZPKBGCPW-HNNXBMFYSA-N 463.565 6.644 50 10 JKGE Fc1cc(Br)c(F)c(Br)c1[C@@H](Br)[C@]12C[C@H](CCO1)C2 2272747722 NIMGPWAAZTVVFN-SMOQUIODSA-N 460.938 5.495 50 10 JKGE C[C@@H]1CCO[C@@H]1C[C@@H](Br)c1c(F)cc(Br)c(F)c1Br 2272838590 AHLQPOYIMIZTPV-BRDIYROLSA-N 462.954 5.741 50 10 JKGE COc1cc(C)c(Cl)cc1[C@H](Br)c1csc(Br)c1Br 2277913499 DSJUDHDSAZVYCS-NSHDSACASA-N 489.454 6.728 50 10 JKGE C[C@H]1OC2(C)CC1([C@H](Br)Cc1cc(Br)cc(Br)c1)C2 2277954875 ZJJANWNUAQNSMY-JKIGLROPSA-N 453.012 5.475 50 10 JKGE Clc1c(Br)csc1[C@@H](Br)c1ccc(Br)c2ccccc12 2279290417 AXYPMBBXGVSWEQ-ZDUSSCGKSA-N 495.461 7.564 50 10 JKGE COc1c(Br)cc([C@H](Br)c2ccoc2Br)c(OC)c1C 2295432485 IGBMSANFRGQXHV-LLVKDONJSA-N 468.967 5.615 50 10 JKGE CC(C)C[C@@H]1C[C@@H]1[C@@H](Br)c1ccc(OCc2ccccc2)cc1Br 2299487977 BPXDAQHHKYVUOC-PBEJRMEISA-N 452.230 7.146 50 10 JKGE Cn1ncc(Br)c1[C@H](Cl)c1cc(Br)ccc1OCc1ccccc1 2299500835 JDRPSSKJSOOXQM-QGZVFWFLSA-N 470.592 5.852 50 10 JKGE CCc1ccccc1NC(=O)C(C#N)=Cc1ccc(OCc2ccc(Cl)cc2Cl)cc1 2313676773 FAROTLHUDNUREV-UHFFFAOYSA-N 451.353 6.680 50 10 JKGE N#CC(=Cc1ccc2noc(-c3ccccc3)c2c1)c1nc(-c2ccc([N+](=O)[O-])cc2)cs1 2314571339 DYBJLTAZRYPJQZ-UHFFFAOYSA-N 450.479 6.591 50 10 JKGE Clc1cc(I)c([C@@H](Br)c2ccccc2C2CC2)s1 2316607676 UHCFPPBRYKJCPZ-ZDUSSCGKSA-N 453.570 6.368 50 10 JKGE COc1ccccc1C(C#N)=Cc1ccc(OC(=O)CC(c2ccccc2)c2ccccc2)cc1 2320507247 ILCBUNMFWWVILO-UHFFFAOYSA-N 459.545 6.887 50 10 JKGE CCCCOC(=O)c1ccccc1NC(=O)C(C#N)=CNc1ccccc1Sc1ccccc1 2325307035 GWHXDLBFLMKZCL-UHFFFAOYSA-N 471.582 6.253 50 10 JKGE CCCOc1ccc(-c2csc(C(C#N)=C(O)Cc3ccc(NC(C)=O)cc3)n2)cc1OCCC 2331293160 ZYFRIHSYZAWYTR-UHFFFAOYSA-N 491.613 6.381 50 10 JKGE N#CC(=C(O)CCCN1C(=O)c2cccc([N+](=O)[O-])c2C1=O)c1nc(-c2cccc(Cl)c2)cs1 2331294287 LIJMICRSBBBIIK-UHFFFAOYSA-N 494.916 5.241 50 10 JKGE CC[C@@H](C)N1C(=O)c2ccc(C(O)=C(C#N)c3nc(-c4ccc(C)cc4C)cs3)cc2C1=O 2331309106 XEUQTGQHHXEADN-MRXNPFEDSA-N 457.555 5.771 50 10 JKGE CCOC(=O)Oc1ccc(C(O)=C(C#N)c2nc(-c3ccc(Cl)c(Cl)c3)cs2)cc1 2331311547 SPSBFAMUYREQFW-UHFFFAOYSA-N 461.326 6.602 50 10 JKGE COc1ccc(Cl)cc1N1C[C@H](C(O)=C(C#N)c2nc(-c3ccc(F)c(F)c3)cs2)CC1=O 2331351939 NVGQXOVXRPDXCZ-CYBMUJFWSA-N 487.915 5.596 50 10 JKGE COc1ccc(Cl)cc1N1C[C@@H](C(O)=C(C#N)c2nc(-c3ccc(F)c(F)c3)cs2)CC1=O 2331351940 NVGQXOVXRPDXCZ-ZDUSSCGKSA-N 487.915 5.596 50 10 JKGE COc1c(Cl)ccc(Cl)c1C(O)=C(C#N)c1nc(-c2c(C)c(C)cc(C)c2C)cs1 2331366232 CBGLEDDBBINIJV-UHFFFAOYSA-N 459.398 7.309 50 10 JKGE CCCCCOc1ccc(C=C(C#N)c2nc(-c3ccc4c(c3)CCCC4)cs2)cc1OC 2331416379 CZSMIZVYXKXNOC-UHFFFAOYSA-N 458.627 7.331 50 10 JKGE COc1cc(C=C(C#N)c2nc(-c3cc(C)ccc3OC)cs2)ccc1OCc1ccc(C)cc1 2331448999 ZQNINEQSXLTNOD-UHFFFAOYSA-N 482.605 7.087 50 10 JKGE CCCOc1ccc(C=C(C#N)c2nc(-c3cc(C)c(Cl)cc3OC)cs2)cc1OCC 2331474326 YOLHKORAXXHQRH-UHFFFAOYSA-N 469.006 7.032 50 10 JKGE COC(=O)c1c(NC(=O)COc2ccc(OC)cc2C(C)(C)C)sc(C(C)=CC#N)c1C 2331560217 HAWFGSLDIGYPFJ-UHFFFAOYSA-N 456.564 5.094 50 10 JKGE COc1ccc(Br)cc1[C@H](Cl)c1ccc(OCc2ccccc2)cc1Br 2336050228 JFCCFYLXTDUPMI-OAQYLSRUSA-N 496.626 7.127 50 10 JKGE Clc1ccc(CC[C@@H](Br)CC2CCCCC2)cc1I 2337218486 JCNKWIXDQKROBE-CQSZACIVSA-N 455.605 6.611 50 10 JKGE C[C@]12C[C@H](C1)[C@H]([C@H](Br)Cc1cc(Br)cc(Br)c1)CO2 2337698157 RIYHALYCTBHJGR-QZKOUSHUSA-N 453.012 5.333 50 10 JKGE Cn1nc(Br)c(Br)c1[C@H](Br)Cc1ccc(Cl)c(Cl)c1 2338691103 ONTZOBKTTGNLNQ-SSDOTTSWSA-N 491.836 5.931 50 10 JKGE BrCC1(COc2cc(Br)cc(Br)c2)CCCCCC1 2338721751 FZYSFCWHTDCKPY-UHFFFAOYSA-N 455.028 6.326 50 10 JKGE C[C@@H]1CCC[C@]12[C@@H](Br)C[C@H]2Oc1cc(Br)cc(Br)c1 2338758754 SUWHKGIHBVXRCK-KYQLBWAOSA-N 453.012 5.933 50 10 JKGE COc1c(Br)cc(C)c([C@H](Br)CCCC(F)F)c1Br 2339659788 WOBFOZCMNHEXMC-MRVPVSSYSA-N 464.970 6.400 50 10 JKGE Cc1cc(Br)c(F)c(Br)c1[C@@H](Br)C12CC(C)(CO1)C2 2339684046 JRZILTXSDMSRRN-IYXRBSQSSA-N 456.975 5.664 50 10 JKGE Cl[C@H](c1cc(I)sn1)c1cc2c(cc1Br)OCCC2 2343594702 LGZJKNNMRQDRAT-ZDUSSCGKSA-N 470.557 5.163 50 10 JKGE O=[N+]([O-])c1ccc([C@@H](Br)c2c(Cl)cc(Br)c(F)c2Br)o1 2362229014 HHDCZMUUPSXSRJ-SECBINFHSA-N 492.320 5.990 50 10 JKGE COC1([C@@H](Br)c2c(Cl)cc(Br)c(F)c2Br)CC(CF)C1 2362231172 DGVGFWCIKXYBJR-BZCBFNEHSA-N 497.399 6.205 50 10 JKGE CC12CC(C1)[C@H](COc1c(Br)cc(Br)cc1CBr)CO2 2363016253 PCCVBBKGYAIYOG-LOIXOFCESA-N 469.011 5.300 50 10 JKGE CCCc1sc(Br)cc1[C@H](Br)c1cscc1S(C)(=O)=O 2363275985 VRRKLFZXKWUAGX-ZDUSSCGKSA-N 458.262 5.412 50 10 JKGE Cc1cc(Br)c(F)c(Br)c1[C@@H](Br)C[C@@H]1CCCC1(F)F 2365187791 DPNULDQBVRBMBM-IUCAKERBSA-N 478.972 6.921 50 10 JKGE Cc1cc(Br)c(F)c(Br)c1[C@H](Br)[C@@H]1C[C@H]2O[C@H]1[C@@H]1C[C@H]21 2365189779 YLCRNZLSSFWZDG-IXFPMBDGSA-N 468.986 5.519 50 10 JKGE CC(C)[C@@H](Br)C(C)(C)CN(C)Cc1ccc(I)c(Cl)c1 2365995484 VHWKMDGROPIFRQ-OAHLLOKOSA-N 472.636 5.822 50 10 JKGE CC(C)(C)OC(=O)N1CCC[C@](CBr)(OCc2cccc(C(F)(F)F)c2)C1 2381380586 PUERGRXAJYHLKI-GOSISDBHSA-N 452.311 5.387 50 10 JKGE Cc1cccc(C)c1O[C@@H](C)C(=O)NNC(=O)c1ccc(NC(=O)c2ccc(C(C)(C)C)cc2)cc1 14639329 JMAOACZFPQYHSL-FQEVSTJZSA-N 487.600 5.082 50 10 JKGE Cc1ccc(N2C(=O)[C@H](Cc3ccccc3Cl)S/C2=C(\C#N)C(=O)Nc2ccccc2)cc1 16739839 WIYKRNRJDWWRGI-CTHAODRQSA-N 473.985 5.713 50 10 JKGE CCOC(=O)/C(C#N)=C/c1cn(-c2ccccc2)nc1-c1cccc(OCc2ccc(F)cc2)c1 35446051 TZYCIVJGIPCOOL-PXLXIMEGSA-N 467.500 5.727 50 10 JKGE CCOC(=O)COc1ccc(/C=C(\C#N)c2nc(-c3ccc(Cl)cc3)cs2)cc1OC 35519885 IXRCCRRVXJNCPH-LICLKQGHSA-N 454.935 5.478 50 10 JKGE CCOc1ccccc1[C@H]1C(C#N)=C(N)Oc2cc(OC(=O)COc3ccc(Cl)cc3C)ccc21 38650545 VTQLGDVCWDGHPE-AREMUKBSSA-N 490.943 5.250 50 10 JKGE C=CCOc1ccc(C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@H]3c2ccc(OCCC)cc2)cc1 38650670 BDDNNBQULUQSET-MHZLTWQESA-N 482.536 5.478 50 10 JKGE CC(C)Oc1ccc(C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@@H]3c2ccccc2Cl)cc1 38651037 QUQVESAPBUJPEN-XMMPIXPASA-N 460.917 5.565 50 10 JKGE CCCOc1ccccc1[C@H]1C(C#N)=C(N)Oc2cc(OC(=O)c3ccc(OCC)cc3)ccc21 38681480 QUZQJMSULKHKPT-AREMUKBSSA-N 470.525 5.311 50 10 JKGE CCOc1cc(/C=N\NC(=O)CC[C@@H](O)c2ccccc2)cc(Cl)c1OCc1ccc(F)cc1 58891396 QOEAQTZWJWFNDG-SLLOZXFSSA-N 484.955 5.421 50 10 JKGE CC(=O)Nc1ccc(-n2c(C)cc(/C=N/NC(=O)c3cc4cc(Br)ccc4o3)c2C)cc1 59304155 NCIZEIHZTPGSQK-LGJNPRDNSA-N 493.361 5.325 50 10 JKGE C=CCn1cc(/C=N/NC(=O)c2ccc(-n3c(C)ccc3-c3ccccc3)cc2)c2ccccc21 59304234 ASHMXQXUAUFYGM-AJBULDERSA-N 458.565 6.357 50 10 JKGE Brc1ccc(O[C@H]2C[C@@H](Br)C23CCCCC3)c(Br)c1 97647340 JEZCSLZDOBAGOQ-KGLIPLIRSA-N 453.012 6.077 50 10 JKGE Cc1cc([C@@H](Br)c2cccc(I)c2)sc1Br 126779150 BAANHBCUDZBXOU-NSHDSACASA-N 471.983 5.908 50 10 JKGE FC(F)(F)Oc1ccc([C@@H](Cl)c2cc(Br)sc2Br)cc1 131392079 XJWWPGQZOKBZLK-SNVBAGLBSA-N 450.501 6.500 50 10 JKGE C[C@H](Cl)c1nc2cc(F)c(Br)cc2n1Cc1ccc(Br)s1 158639574 HZSRZNRYUCCEKR-ZETCQYMHSA-N 452.574 6.110 50 10 JKGE COc1cc(Cl)c([C@H](Br)c2cc(Br)ccc2Br)cc1OC 161090253 SKFJGRKTZGSJEX-OAHLLOKOSA-N 499.424 6.367 50 10 JKGE CCCCCCCCCOc1ccc(/C=N\NC(=O)Nc2cccc(Cl)c2)c(Cl)c1 169939897 HVPHRVVRPYQXGO-ONUIUJJFSA-N 450.410 7.278 50 10 JKGE Cc1sc([C@@H](Br)c2csc(I)c2)cc1Br 227831927 HIUWPLXDESIICH-JTQLQIEISA-N 478.012 5.969 50 10 JKGE O=[N+]([O-])c1cc(Br)cc(Oc2ccc(Br)cc2CBr)c1 232479214 KPGUVHYVIGOKIF-UHFFFAOYSA-N 465.923 5.807 50 10 JKGE COc1cc([C@H](Br)c2csc(Br)c2)c(OC)cc1Br 234925467 WGGRSAWIGVTWEH-CYBMUJFWSA-N 471.008 5.775 50 10 JKGE Cc1cc(C)c(C)c([C@@H](Br)c2cc(Br)cc(Br)c2)c1C 235818489 ROZHPNAPMUPFGP-KRWDZBQOSA-N 461.035 6.930 50 10 JKGE Clc1ccc(I)c([C@H](Br)c2ccc(Br)cc2)c1 236069422 FTGOSBCNEHFAEC-CYBMUJFWSA-N 486.372 6.191 50 10 JKGE Fc1cc(F)c([C@@H](Cl)c2cc(I)ccc2Br)cc1F 236242212 DJKQBQRBPIVYDX-ZDUSSCGKSA-N 461.446 5.799 50 10 JKGE CC(=NNC(=O)c1cc(-c2ccc(Cl)cc2)nc2ccccc12)c1cccc(NC(=O)C2CCC2)c1 252629896 UPUPKFNKRLLULU-UHFFFAOYSA-N 496.998 6.448 50 10 JKGE 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 253529471 KUJXAJMABXMSCW-GGDFWIAUSA-N 460.775 7.170 50 10 JKGE O=C(CSc1nnc(SCc2cccc3ccccc23)s1)NN=Cc1ccc(F)cc1 254303833 YACRNSQBQCOJCZ-UHFFFAOYSA-N 468.604 5.365 50 10 JKGE CC(=NNC(=O)C1CCC(C(C)(C)C)CC1)c1cccc(NC(=O)c2ccc(Br)o2)c1 254617584 ZHCXSYZEYWIGBH-UHFFFAOYSA-N 488.426 5.987 50 10 JKGE Clc1cc([C@@H](Br)c2cc3c(cc2Br)OCC3)ccc1Br 308421637 XZLYDVOFSBHTGX-OAHLLOKOSA-N 481.409 6.284 50 10 JKGE Brc1occc1[C@H](Br)c1cc(I)cc2c1OCC2 310818242 CNOMXIHVNIQQBG-NSHDSACASA-N 483.925 5.066 50 10 JKGE CC(C)(C)OC(=O)Nc1ccccc1[C@@H]1CCOCCN1CCO[Si](C)(C)C(C)(C)C 616599211 XQEHRYLNPIGJKF-NRFANRHFSA-N 450.696 5.819 50 10 JKGE C[C@H](CBr)[C@H]1CCCCN1Cc1cc(Cl)ccc1I 696740285 VQLGNRXXUSVZNQ-IAQYHMDHSA-N 456.593 5.330 50 10 JKGE ClCc1nc2cc(I)ccc2n1CC1(CCOCc2ccccc2)CC1 702200389 NMFZALKXSPCXSZ-UHFFFAOYSA-N 480.777 5.767 50 10 JKGE CO[C@](C)(COCc1ccccc1)Cn1c([C@H](C)Cl)nc2c(Br)cccc21 702783393 IKBXQYVKRAPMJX-BTYIYWSLSA-N 451.792 5.721 50 10 JKGE Clc1cccc(C[C@H](CBr)Cc2cccc(Br)c2)c1Br 719422846 SFMAHDJZOXEXQW-GFCCVEGCSA-N 481.453 6.661 50 10 JKGE C[C@H](COCc1ccccc1)CC(CBr)(CBr)c1ccccc1Cl 719440488 PDIMWNAERNZGOS-INIZCTEOSA-N 474.664 6.611 50 10 JKGE O=C(NN=Cc1ccc(Cl)cc1Cl)c1ccc(OCc2ccc(Br)cc2)cc1 1081086902 YKFAZFINUHMHPQ-UHFFFAOYSA-N 478.173 6.099 50 10 JKGE Cc1nn(Cc2ccccc2Cl)c(C)c1C=NNC(=O)[C@@H](C)Oc1ccc(Cl)cc1Cl 1083972493 VEMBAZSHIRIWGM-OAHLLOKOSA-N 479.795 5.426 50 10 JKGE COc1ccc(C(=O)NN=C(C)c2ccc3c(c2)[C@@H]2C=CC[C@@H]2[C@H](c2ccccc2Cl)N3)cc1 1083987743 XLCLGXXRTYQGAT-UMTXDNHDSA-N 471.988 6.329 50 10 JKGE CCOc1c(Cl)cc(C=NNC(=O)c2cc3cc(Br)ccc3o2)cc1Cl 1084051075 OOOSFFXSRMVYEG-UHFFFAOYSA-N 456.123 5.665 50 10 JKGE N#C/C(=C\c1cn(Cc2ccc([N+](=O)[O-])cc2)c2ccccc12)C(=O)Nc1cccc(Cl)c1Cl 1084089218 IUFLYCHRJSCVKO-SFQUDFHCSA-N 491.334 6.450 50 10 JKGE COc1ccc(C=NNC(=O)C=C(Sc2ccccc2)Sc2ccccc2)cc1OC 1084386948 KOEDIPMNBOEJJX-UHFFFAOYSA-N 450.585 5.580 50 10 JKGE O=C(NN=Cc1ccc(OCc2ccc(Cl)c(Cl)c2)cc1)c1ccccc1Br 1084414180 FUDLXCGWEQUXTE-UHFFFAOYSA-N 478.173 6.099 50 10 JKGE O=C(Nc1ccccc1C(=O)NN=Cc1ccc(Cl)cc1)c1cccc(Br)c1 1084463490 DTMNSOOLPWRTLE-UHFFFAOYSA-N 456.727 5.119 50 10 JKGE O=P(c1ccccc1)(c1ccccc1)[C@H](Nc1cccc(C(F)(F)F)c1)c1cccnc1 1088693457 AVPDLPMBHBXAIE-DEOSSOPVSA-N 452.416 6.225 50 10 JKGE Cc1c(C(=O)N(Cc2ccccc2)Cc2ccccc2)oc2c1C(=NNC(=O)c1ccco1)CCC2 1772747301 NZKZQXMRBVXFMC-UHFFFAOYSA-N 481.552 5.494 50 10 JKGE Cc1c(C(=O)Nc2cccc3ncccc23)oc2c1C(=NNC(=O)c1cccc(Cl)c1)CCC2 1772748557 RHYRLOFJETUAKE-UHFFFAOYSA-N 472.932 5.512 50 10 JKGE Cc1occc1C(=O)NN=C1CCCc2oc(C(=O)Oc3ccc(-c4ccc(C#N)cc4)cc3)c(C)c21 1772750139 YGAHFBPVHPBSJT-UHFFFAOYSA-N 493.519 5.718 50 10 JKGE Cc1ccccc1COc1ccccc1C=NNC(=O)CSc1nc(-c2ccccc2)cs1 1772755119 OBSMKOACQXXPSZ-UHFFFAOYSA-N 473.623 5.940 50 10 JKGE N#CC1=C(N)Oc2c(c(-c3ccccc3)nn2-c2ccc(Cl)cc2)[C@H]1c1cccc(Cl)c1 1865682954 BOGGFPRUNLYCON-NRFANRHFSA-N 459.336 6.064 50 10 JKGE CCCCCOc1ccc([C@H]2C(C#N)=C(N)Oc3c2c(C)nn3Cc2ccccc2)cc1OC 1865695891 VEEOFNYKLKFMFC-VWLOTQADSA-N 458.562 5.036 50 10 JKGE COc1ccc(-c2nn(-c3ccc(OC)cc3)c3c2[C@@H](c2ccc(F)cc2F)C(C#N)=C(N)O3)cc1 1865702061 LRNLRVHSCPUGFU-QHCPKHFHSA-N 486.478 5.053 50 10 JKGE Cc1nn(Cc2ccc(Cl)c(Cl)c2)c2c1[C@@H](c1ccc(Cl)c([N+](=O)[O-])c1)C(C#N)=C(N)O2 1865705918 JJOVPUNHDRAZCE-IBGZPJMESA-N 490.734 5.326 50 10 JKGE N#C/C(=C\c1cccc(F)c1)C(=O)Nc1cccc(Nc2ncnc3ccc(Br)cc23)c1 1866131218 JEWRFSLHQBRQLF-CXUHLZMHSA-N 488.320 5.821 50 10 JKGE CC(C)c1nc(Nc2ccc(SC#N)cc2)cc(N2CCNC(=O)[C@@H]2c2cn(C)c3ccccc23)n1 1868231336 CYTKCAGRKKISTD-VWLOTQADSA-N 497.628 5.086 50 10 JKGE C[C@H](/C(O)=C(\C#N)c1nc(-c2ccc(-c3ccccc3)cc2)cs1)N1C(=O)c2ccccc2C1=O 1872743590 CHUCMSMVZJYUCV-NPPSCJOGSA-N 477.545 5.954 50 10 JKGE COc1cc(C)c(-c2csc(/C(C#N)=C(\O)COc3cc(C)c(Cl)c(C)c3)n2)cc1C(C)C 1872753596 FNJPWJVYSNQPEN-LNVKXUELSA-N 483.033 7.392 50 10 JKGE CCCCOc1ccc(/C=C(\C#N)c2nc(-c3cc(C(C)(C)C)ccc3C)cs2)cc1OC 1872794254 RBWMQNAYCNPOGY-KGENOOAVSA-N 460.643 7.668 50 10 JKGE COc1ccc(Cl)cc1-c1csc(/C(C#N)=C/c2ccc(OCc3ccccc3C)cc2)n1 1872795206 STIHVIBOGTYRNH-FYJGNVAPSA-N 472.997 7.424 50 10 JKGE CC(C)(C)OC(=O)NCCCCCC(=O)N/N=C/c1ccc(OCc2ccc(Cl)cc2)cc1 1873792529 GJXHHZNVDPQKDY-OGLMXYFKSA-N 474.001 5.454 50 10 JKGE CC(C)(C)OC(=O)N1CC(N(C[C@@H](CBr)C(C)(C)C)OCc2ccccc2)C1 1884744455 RDFLVNOLEJSXPH-GOSISDBHSA-N 455.437 5.097 50 10 JKGE Cc1cc(Br)c([C@@H](Cl)c2sc(Cl)cc2I)s1 1901023247 KAOXEWHKELLVJX-MRVPVSSYSA-N 468.006 6.467 50 10 JKGE COc1cc(C)c([C@H](Cl)c2ccccc2I)cc1Br 1901586586 PGJWAFMILXFNRZ-OAHLLOKOSA-N 451.529 5.699 50 10 JKGE CC(C)(C)[C@@H]1C[C@H]1[C@@H](Br)c1c(Br)sc(Br)c1Cl 1910604631 DBYSLYAREWXRRQ-ATRFCDNQSA-N 465.476 7.045 50 10 JKGE CC[C@H](Br)CN(Cc1ccccc1)C(=O)c1ccccc1I 1915123751 AZOJDEKVCPJQII-HNNXBMFYSA-N 472.164 5.107 50 10 JKGE CC(C)[C@H](CBr)N(Cc1ccccc1)C(=O)c1cccc(Br)c1F 1915297957 NGRITRTZGFVCOL-KRWDZBQOSA-N 457.181 5.650 50 10 JKGE CC(C)(CCl)N(Cc1ccccc1)S(=O)(=O)c1ccc(Cl)c(Br)c1 1915749051 CWFWAYLEWBTFJL-UHFFFAOYSA-N 451.213 5.311 50 10 JKGE CC[C@@H](CC(F)(F)F)[C@@H](Br)c1sc(Br)c(C)c1Br 1922894763 OCJXCRNJPNTWKR-POYBYMJQSA-N 472.990 6.996 50 10 JKGE C[C@H](C[C@@H](Cl)c1c(Br)sc(Br)c1Br)C(F)F 1924569259 SDKODIXIMOASJN-QWWZWVQMSA-N 461.391 6.607 50 10 JKGE Clc1sc(Br)c(Cl)c1[C@H](Br)c1sncc1Br 1925548924 PKSMFTNIZAWNNP-BYPYZUCNSA-N 486.863 6.521 50 10 JKGE Brc1ccc([C@@H](Br)c2csc(Br)c2Br)cc1 1937735184 WZZKVYAVZIYPDX-SECBINFHSA-N 489.852 6.520 50 10 JKGE BrCc1c(Br)cccc1N1C[C@H]2C[C@H]1CN(Cc1ccccc1)C2 1997909947 KTTIXGPFGATWIP-IRXDYDNUSA-N 450.218 5.055 50 10 JKGE CCc1cc(Br)c([C@@H](Br)c2ccc(Br)c(Cl)c2)s1 2029232002 BVEQULDQJWRXMX-LBPRGKRZSA-N 473.455 6.973 50 10 JKGE CN(c1ccc(CBr)cc1Br)[C@@H]1CN(Cc2ccccc2)C(C)(C)C1 2037331432 JJZXCZJRNUXGSK-SFHVURJKSA-N 466.261 5.833 50 10 JKGE CC(C)(C)OC(=O)NCCSSCCN[C@@H]1CCC[C@@H]1[C@H]1CCCN1C(=O)OC(C)(C)C 2061265751 LKPDFNVVLDJKTN-IPMKNSEASA-N 489.748 5.050 50 10 JKGE Brc1cc([C@@H](Br)C2CC3(C2)CC32CCC2)sc1Br 2064001566 BMGVHKRZZQSYRQ-PGMTZQPISA-N 455.053 6.680 50 10 JKGE Cc1sc(Br)cc1[C@@H](Cl)c1ccc(Br)c(C)c1Br 2083336340 ZDQQLJCGRNQECC-ZDUSSCGKSA-N 473.455 6.981 50 10 JKGE Cc1c(Br)ccc([C@H](Br)COCC(F)(F)F)c1Br 2083337177 HIGNHQAHRLTNJD-SECBINFHSA-N 454.906 5.535 50 10 JKGE Cc1c(Br)ccc([C@@H](Br)CCOCC(F)F)c1Br 2083341519 ZWDJGHXWCPBCFV-JTQLQIEISA-N 450.943 5.628 50 10 JKGE Fc1cc(Cl)c([C@@H](Br)c2ccc(I)cc2)cc1Cl 2083778206 OBDNXZCVLSMRPK-ZDUSSCGKSA-N 459.911 6.221 50 10 JKGE Cc1cc(Br)c2c(c1Br)[C@H](Br)C[C@H](C(F)(F)F)CC2 2090245986 ZDQAAIZYAQOWLY-GMSGAONNSA-N 464.945 6.471 50 10 JKGE CCN(C[C@](C)(CI)OCC1(COC)CCCCC1)C(=O)OC(C)(C)C 2094487044 NZAOZXCYYHPCMG-IBGZPJMESA-N 483.431 5.051 50 10 JKGE Clc1cc([C@@H](Br)c2csc3c(Br)cccc23)sc1Cl 2099838876 LIVAJKJVUYMBPK-NSHDSACASA-N 457.039 7.516 50 10 JKGE Cc1csc([C@H](Br)c2cc(Br)cc3c2OCC3)c1Br 2100815334 WTFSDGSPRYDXPB-GFCCVEGCSA-N 467.020 6.001 50 10 JKGE COc1ccc([C@@H](Br)c2sc(Br)c(C)c2Br)cc1Cl 2107098325 IAAAEURWQRKYEU-LLVKDONJSA-N 489.454 6.728 50 10 JKGE Fc1ccc(CC[C@H](Br)c2ccccc2Br)cc1Br 2113441533 ITZXOGQZJBYAJL-ZDUSSCGKSA-N 450.971 6.420 50 10 JKGE CCn1cc(Br)c([C@H](Br)c2ccc(F)c(Br)c2F)n1 2124775115 XBCDFMNITADKCF-SECBINFHSA-N 458.926 5.191 50 10 JKGE C[C@H]1OC2(COc3c(Br)cc(CBr)cc3Br)CC1C2 2132483896 IOLJPQNALGUWSS-CCMBEOLZSA-N 454.984 5.053 50 10 JKGE Cc1cc(Br)c([C@H](Br)C2(CC3CCC3)CC2)cc1Br 2133419885 UZRKDEDGJIIQDS-HNNXBMFYSA-N 451.040 6.926 50 10 JKGE COc1ccc([C@@H](Br)c2cccc(OCc3ccccc3)c2)c(Cl)c1Cl 2138628659 VOJVZMHJXHHZMN-IBGZPJMESA-N 452.175 7.065 50 10 JKGE Cc1c(Br)ccc([C@@H](Br)[C@H]2C(F)(F)C23CCC3)c1Br 2138863530 MGQLOHMUQFFPEB-VXGBXAGGSA-N 458.966 6.391 50 10 JKGE Cc1c(Br)ccc([C@H](Br)[C@H]2C[C@H](C)O[C@H](C)C2)c1Br 2138866475 UHHXNQALYMRMQN-NTDWFJSYSA-N 455.028 6.160 50 10 JKGE COc1cc(CBr)cc(Br)c1OCc1cc(Br)sn1 2139793011 VDRTWTCPNMATOZ-UHFFFAOYSA-N 471.996 5.151 50 10 JKGE CCC[C@H]1CN(C(=O)c2cc(Br)c(Br)s2)C[C@@H]1CBr 2140768445 DTBMIAOZELTYKB-IUCAKERBSA-N 474.056 5.156 50 10 JKGE CCCc1nc(Br)c(Br)n1C[C@@H](CBr)c1ccccc1 2143939333 DYPLXIOJCQBQKG-GFCCVEGCSA-N 465.027 5.539 50 10 JKGE CC1(C)C[C@@H](Br)C[C@H](NC(=O)c2cccc(Br)c2Br)C1 2148751565 QJTJUAFMTFYHKU-UWVGGRQHSA-N 468.027 5.284 50 10 JKGE Cc1ccc2ccccc2c1[C@H](Br)c1csc(Br)c1Br 2150341849 LVPHFHINYYVMOL-CQSZACIVSA-N 475.043 7.219 50 10 JKGE COc1ccc(OC)c([C@@H](Br)c2c(Br)cccc2Br)c1 2150495998 ZYYPOKSMFIJKBM-OAHLLOKOSA-N 464.979 5.713 50 10 JKGE Cc1cc(-c2nc(CCl)cs2)ccc1CN(CCN(C)Cc1ccccc1)Cc1ccccc1 2152215626 VLWGIJFLLZKRIS-UHFFFAOYSA-N 490.116 6.992 50 10 JKGE Clc1c(Br)ccc(CBr)c1N1Cc2ccc(Br)cc2C1 2154366590 OXCQFADCPMPFBM-UHFFFAOYSA-N 480.425 6.280 50 10 JKGE C[C@H]1CN(Cc2ccccc2)C[C@@H](C)[C@@H]1n1c(CCl)nc2cc(I)ccc21 2155550523 DIYMLOLKQQUIFX-BRLLKYFNSA-N 493.820 5.709 50 10 JKGE BrC[C@]12CCC[C@@H]1N(Cc1c(Br)cccc1Br)CCC2 2165245575 UXOJSEQNGFCDBP-JKSUJKDBSA-N 466.055 5.741 50 10 JKGE Cn1nc([C@H](Br)c2cc(Br)cc3c2OCC3)c(Br)c1Cl 2167049653 GNMVOVJRINTAQW-SECBINFHSA-N 485.401 5.018 50 10 JKGE Brc1ccc(Br)c(C[C@H]2CCCCCCCC[C@@H]2Br)c1 2175145451 UPFBJIWIBGFFJE-CJNGLKHVSA-N 467.083 7.268 50 10 JKGE F[C@@]12CCC[C@@]1(CBr)CN(Cc1cc(Br)ccc1Br)C2 2176641957 WRZTUVXBZDCSEF-HUUCEWRRSA-N 470.018 5.301 50 10 JKGE FC1(F)CCC2(CC1)[C@@H](Br)C[C@H]2Oc1ccc(I)cc1 2177596160 PBUYSYYYRSDSPE-QWHCGFSZSA-N 457.096 5.402 50 10 JKGE BrCc1cc(Br)cc(Br)c1OC[C@@H]1C[C@@H]1C1CCCC1 2200388660 CALIAZMNIITDJD-GXTWGEPZSA-N 467.039 6.312 50 10 JKGE CCc1nc([C@H](Cl)c2c(Br)cc(F)c(Cl)c2F)c(Br)s1 2201607910 ISDJPASUDAYIPH-SECBINFHSA-N 465.972 6.490 50 10 JKGE COc1c(Cl)cc(Br)cc1[C@@H](Cl)Cc1ccccc1I 2202992661 MZKXYALRFGYLNW-LBPRGKRZSA-N 485.974 6.238 50 10 JKGE FC1(F)CCC[C@H](c2sc(Br)c(Br)c2Br)[C@@H]1Cl 2216419400 KJGOYEXGUSTSTA-VHWMUFPASA-N 473.402 6.546 50 10 JKGE Cc1ccc([C@@H](Cl)c2c(Br)sc(C)c2C)cc1I 2217865742 XWUVITJQHFNWAW-CYBMUJFWSA-N 455.586 6.369 50 10 JKGE Fc1cc(Br)c(Br)cc1[C@H](Br)C(F)(F)CC1CC1 2218598748 WEAOCNASRLKQLZ-NSHDSACASA-N 450.918 6.222 50 10 JKGE Cc1cc(Br)c([C@H](Br)[C@H]2CCOC[C@H]2C)c(C)c1Br 2227346890 GGCOJLJFHNDVFR-BPYAMOTFSA-N 455.028 5.937 50 10 JKGE Fc1cc(F)c([C@@H](Cl)c2scc(Br)c2Br)c(F)c1Br 2227803379 BDDOYVYBIPPAMY-SECBINFHSA-N 499.371 6.781 50 10 JKGE Cc1cc(Cl)c(Br)cc1[C@@H](Br)c1sc(C)c(C)c1Br 2229322837 MKEQEXFDSZQDSY-CYBMUJFWSA-N 487.482 7.336 50 10 JKGE COc1ccc([C@H](Cl)c2c(Cl)sc(Br)c2Cl)c(Br)c1 2232076180 JSRJOGWTOQNANE-VIFPVBQESA-N 465.421 6.917 50 10 JKGE CCc1cc(Br)c([C@H](Br)c2ccc(OC)cc2Br)s1 2232076818 NRDRUVUIIBRIFW-CYBMUJFWSA-N 469.036 6.328 50 10 JKGE C[C@@H](Cl)c1nc2cc(Br)c(Br)cc2n1CC1(Br)CCC1 2234070549 UXXSXYXFJVBAAB-MRVPVSSYSA-N 485.445 6.179 50 10 JKGE Cc1cc(Br)c([C@H](Br)c2ccc(F)cc2F)c(C)c1Br 2235603572 JXSMCTDBSPTLJR-OAHLLOKOSA-N 468.961 6.591 50 10 JKGE Cc1cc(Br)c([C@@H](Cl)c2cccc(Br)c2C)c(C)c1Br 2235604116 MQRHDQNXJHITKR-INIZCTEOSA-N 481.453 7.228 50 10 JKGE CCc1cc([C@H](Br)c2c(C)cccc2Br)sc1Br 2255988437 KMUKTOXJKBLVRP-ZDUSSCGKSA-N 453.037 6.628 50 10 JKGE Cc1sc([C@@H](Br)c2c(F)cc(Br)cc2F)c(Br)c1C 2264418128 IUWKNNGSTNDRSQ-LBPRGKRZSA-N 474.990 6.652 50 10 JKGE Fc1cc([C@H](Br)Cc2ccncc2Br)c(Cl)cc1Br 2267763201 KFXAKBKMYXQBFC-SECBINFHSA-N 472.377 6.078 50 10 JKGE COc1c([C@H](Br)c2cc(Br)cs2)cc(Br)c(C)c1C 2269163844 HILPCCXNLGMLJD-ZDUSSCGKSA-N 469.036 6.383 50 10 JKGE CCc1nc([C@@H](Cl)c2ccc(OC)c(I)c2)c(Br)s1 2269532911 CANVTWFXNZSEQQ-NSHDSACASA-N 472.573 5.409 50 10 JKGE COc1cc(Cl)c(Cl)cc1[C@@H](Br)c1ccc(I)c(C)c1 2279046407 IZPHELIQVUSITE-HNNXBMFYSA-N 485.974 6.399 50 10 JKGE COc1cc(OC)c([C@@H](Br)c2ccccc2I)cc1Cl 2279137917 UQSZPVACUCYYOG-HNNXBMFYSA-N 467.528 5.446 50 10 JKGE Cc1c(Br)ccc([C@@H](Br)[C@@H]2CC(F)(F)C23CCC3)c1Br 2280859723 UZKGDNDCCZUDEU-GXFFZTMASA-N 472.993 6.782 50 10 JKGE CCOCc1cc(Br)c([C@@H](Br)c2csc(Cl)c2OC)s1 2284310007 OMGUUEWDCAUMDB-JTQLQIEISA-N 460.640 6.255 50 10 JKGE COc1ccc([C@H](Br)c2cc(Cl)c(F)cc2F)cc1I 2285006221 HUNHMEOWBKYCND-AWEZNQCLSA-N 473.482 5.716 50 10 JKGE CC[C@]12CO[C@]([C@@H](Br)c3c(F)cc(Br)c(F)c3Br)(C1)C2 2288487918 BTXRPGDKAZRISU-MELADBBJSA-N 474.965 5.885 50 10 JKGE O=C(NN=C(C=Cc1ccccc1[N+](=O)[O-])c1ccccc1)c1ccccc1I 2293117063 OXDZREZUYTXJRX-UHFFFAOYSA-N 497.292 5.047 50 10 JKGE N#CC(=Cc1ccc(OCc2ccccc2Cl)c(Cl)c1)C(=O)Nc1cc(Cl)cc(Cl)c1 2295459648 JIGNRFPAWPUMOF-UHFFFAOYSA-N 492.189 7.425 50 10 JKGE CC(C)Cc1ccc(-c2csc(C(C#N)=CNc3ccc(Cl)cc3C(=O)c3ccccc3)n2)cc1 2295937229 AGOUWESDRLZTEB-UHFFFAOYSA-N 498.051 7.870 50 10 JKGE Cc1cccn2c(=O)c(C=C(C#N)C(=O)N3CCCCC3)c(Oc3ccc(Cl)cc3Cl)nc12 2296721748 NMXLAUDZBJWIIK-UHFFFAOYSA-N 483.355 5.022 50 10 JKGE COC(=O)c1cc(C=C(C#N)c2nc(-c3ccc(Cl)c(Cl)c3)cs2)cc(C(=O)OC)c1 2296802178 ZJWPBRCLQUXDOR-UHFFFAOYSA-N 473.337 5.754 50 10 JKGE Brc1cc(OCc2ccccc2)ccc1[C@H](Br)CC[C@H]1CCOC1 2299502854 ACARYLVSPQBYIK-QFBILLFUSA-N 454.202 6.281 50 10 JKGE COC1([C@@H](Br)c2ccc(OCc3ccccc3)cc2Br)CC(C)C1 2299525622 PKUAUNHSYARMIH-JEFDNNSCSA-N 454.202 6.279 50 10 JKGE FC(F)C1CC([C@@H](Br)c2ccc(OCc3ccccc3)cc2Br)C1 2299536275 XYUVYTZCOYJYKW-WTNGLUPJSA-N 460.156 6.755 50 10 JKGE Cc1ccc(Br)cc1[C@@H](Cl)c1sc(Cl)cc1I 2300956048 UMICTRCCYBQZLN-LLVKDONJSA-N 461.977 6.405 50 10 JKGE COc1cc(C=C(C#N)C(=O)Nc2cccc(Cl)c2Cl)c(Br)c(Cl)c1O 2313570680 CVSFEKPVYSRYHW-UHFFFAOYSA-N 476.541 5.669 50 10 JKGE N#CC(=Cc1cccc(OCc2ccc(Cl)cc2Cl)c1)C(=O)Nc1ccc(Cl)cc1 2313631278 NMFLRSAKIDHDIK-UHFFFAOYSA-N 457.744 6.771 50 10 JKGE Cc1c(Cl)cccc1NC(=O)C(C#N)=Cc1cc(Cl)ccc1OCc1cccc(F)c1 2313675782 RLIBUCUKKRHFCJ-UHFFFAOYSA-N 455.316 6.566 50 10 JKGE C[C@@H](NC(=O)C(C#N)=Cc1cc(Br)ccc1OCc1ccc(F)cc1)c1ccccc1 2313738515 GBTQZORBNKSAIA-QGZVFWFLSA-N 479.349 5.952 50 10 JKGE Brc1cc(OCc2ccccc2)ccc1[C@H](Br)CC[C@@H]1CCCCO1 2314499391 CCLLSGNBLYIGQQ-FXAWDEMLSA-N 468.229 6.813 50 10 JKGE COc1ccccc1Oc1nc2c(C)cccn2c(=O)c1C=C(C#N)C(=O)Nc1ccc(Cl)cc1 2314531551 CCYOYZJQQZTTEO-UHFFFAOYSA-N 486.915 5.003 50 10 JKGE CCCc1sc(Br)cc1[C@@H](Br)c1ccc(Br)cc1 2316177937 JFZKNLZRYJPOOU-AWEZNQCLSA-N 453.037 6.710 50 10 JKGE FC(F)(F)c1cc([C@H](Br)c2sc(Cl)cc2I)cs1 2316776100 ZKMSZICHJHUUDB-QMMMGPOBSA-N 487.531 6.571 50 10 JKGE COc1ccc2[nH]cc(C=NNC(=O)c3ccc(-c4ccc(Cl)c(Cl)c4)nc3C)c2c1 2321250748 ORFVBAJVDAISCD-UHFFFAOYSA-N 453.329 5.618 50 10 JKGE CC(C)(C)c1ccc(C=NNC(=O)c2cccn(Cc3ccc(Cl)c(Cl)c3)c2=O)cc1 2323651780 GKKVBNBXTRCNIF-UHFFFAOYSA-N 456.373 5.265 50 10 JKGE COc1cc(C=C(C#N)c2ccc(Cl)cc2F)ccc1OCc1c(Cl)ccc(Cl)c1Cl 2331063834 CHPUOOPVAPXAPL-UHFFFAOYSA-N 497.180 8.091 50 10 JKGE N#CC(=C(O)c1ccccc1Br)c1nc(-c2ccc(-c3ccccc3)cc2)cs1 2331231668 NEXZNCWFNJSUDF-UHFFFAOYSA-N 459.368 7.189 50 10 JKGE Cc1ccc(S(=O)(=O)NCC(O)=C(C#N)c2nc(-c3ccc4ccccc4c3)cs2)cc1 2331239570 LGKPUTNUWMWFGR-UHFFFAOYSA-N 461.568 5.043 50 10 JKGE CC(C)(C)N1C(=O)c2ccc(C(O)=C(C#N)c3nc(-c4ccc(F)cc4F)cs3)cc2C1=O 2331286883 VVJRMCYKDQBFBW-UHFFFAOYSA-N 465.481 5.433 50 10 JKGE COc1c(Cl)cc(-c2csc(C(C#N)=C(O)C(c3ccccc3)c3ccccc3)n2)cc1Cl 2331396646 ZIHCYTXIIDMNOR-UHFFFAOYSA-N 493.415 7.750 50 10 JKGE N#CC(=C(O)Cc1ccc(Br)cc1)c1nc(-c2cc(Cl)ccc2Cl)cs1 2331403962 WTEBACHWNBOUHI-UHFFFAOYSA-N 466.187 6.915 50 10 JKGE CCCCOc1ccc(C=C(C#N)c2nc(-c3ccc4ccccc4c3)cs2)cc1OCC 2331416101 OVWQSTLDAPEOSQ-UHFFFAOYSA-N 454.595 7.605 50 10 JKGE CCc1nn(C)c([C@@H](Cl)c2ccc(OCc3ccccc3)cc2Br)c1Br 2336081251 QISMEWAOAIPSBE-IBGZPJMESA-N 498.646 6.415 50 10 JKGE Cc1cc(I)c(O[C@H]2C[C@@H](Br)C23CCCC3)cc1Cl 2336557283 WSBJWGYUAIGLRK-KGLIPLIRSA-N 455.561 5.728 50 10 JKGE ClCc1nc(OCc2cc(Br)cc(Br)c2)ncc1Br 2337113271 HJSAIUSMLCIDCO-UHFFFAOYSA-N 471.374 5.082 50 10 JKGE Brc1ccc([C@@H](Br)[C@H]2C[C@H]3CCC[C@H]2CC3)c(Br)c1 2338744367 NHMKFOYSVWKSES-KFYUAXIPSA-N 451.040 6.864 50 10 JKGE Cn1nc(Br)c(Br)c1[C@H](Cl)c1ccc(F)c(Br)c1F 2338862794 YSKXNPPIOMYKCA-MRVPVSSYSA-N 479.344 5.314 50 10 JKGE Cl[C@H]1C[C@@H](OCc2ccc(I)c(Br)c2)C12CCCC2 2350039661 NTYAQNJQFZYLBZ-UONOGXRCSA-N 455.561 5.510 50 10 JKGE Fc1ccc([C@@H](Br)CCc2cc(I)ccc2Cl)cc1 2352416408 UWVKRWRURSIGDA-AWEZNQCLSA-N 453.520 6.153 50 10 JKGE CC1(C)CC[C@@H](CBr)N(Cc2cc(I)ccc2Cl)C1 2352424407 SKSUHZQQZOSQAJ-ZDUSSCGKSA-N 456.593 5.330 50 10 JKGE C[C@@H](C[C@H](Br)c1c(Cl)cc(Br)c(F)c1Br)CC(C)(C)C 2362254121 LEEXXRNFDXKVIB-IUCAKERBSA-N 493.480 7.903 50 10 JKGE C[C@]12C[C@H](C1)[C@@H](COc1c(Br)cc(Br)cc1CBr)CO2 2363005368 PCCVBBKGYAIYOG-ZIBATOQPSA-N 469.011 5.300 50 10 JKGE COc1c(Br)cc(C)c([C@H](Br)[C@@H]2C[C@H]2CC(C)C)c1Br 2365187756 DHQSHRYHGJMZEN-JTNHKYCSSA-N 469.055 6.647 50 10 JKGE Cc1cc(Br)c(F)c(Br)c1[C@H](Cl)c1cc(F)cc(Br)c1 2365223670 PTEPLBQLUAOCEU-CYBMUJFWSA-N 489.379 6.889 50 10 JKGE BrC[C@H]1C[C@@H]2C[C@H](C1)CN(Cc1c(Br)cccc1Br)C2 2369265200 KQEQEBMWVLEBHE-CLLJXQQHSA-N 466.055 5.455 50 10 JKGE Brc1cccc([C@H](Br)c2cc3c(cc2Br)OCCC3)c1 2369615870 MPOVJMCCNLJSMG-INIZCTEOSA-N 460.991 6.021 50 10 JKGE CC(C)C[C@@H](CBr)CN(C1CC1)[C@@H](CCNC(=O)OC(C)(C)C)C(F)(F)F 2382184914 RNCHCVMHULVTQN-HOCLYGCPSA-N 459.391 5.354 50 10 JKGE N#C/C(=C/c1cn(CC(=O)Nc2ccccc2)c2ccccc12)C(=O)Nc1ccccc1Cl 1211920 UVKNLAHRQGZEIK-JXAWBTAJSA-N 454.917 5.479 50 10 JKGE Cc1cc([C@@H]2C(C#N)=C(N)N(c3ccc(Br)cc3C)C3=C2C(=O)CCC3)c(C)s1 9981471 FRNRNCMVPJNZKH-OAQYLSRUSA-N 468.420 5.741 50 10 JKGE Cc1ccc(C(=O)Nc2ccc(C(=O)N/N=C/c3ccc(OC(=O)c4ccc(C)cc4)cc3)cc2)cc1 15775810 WUKSZJZIVYJATI-ZCTHSVRISA-N 491.547 5.539 50 10 JKGE CCCCOc1ccc(/C=C(/C#N)C(=O)Nc2ncc(Cc3ccc(C)c(Cl)c3)s2)cc1 33737178 XVWPLRHLEDCXGN-NDENLUEZSA-N 466.006 6.420 50 10 JKGE Cc1ccc(OCC(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@H]3c2c(Cl)cccc2Cl)cc1 38679563 UBQXOEFFRVNJHW-QHCPKHFHSA-N 481.335 5.504 50 10 JKGE CCc1ccc(O[C@@H](C)C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@@H]3c2c(F)cccc2Cl)cc1 38680623 PRMYQUXKAMTXPJ-IZHWHUGBSA-N 492.934 5.633 50 10 JKGE CCCCC1CCC(C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@H]3c2ccc(OC)cc2OC)CC1 38688466 UYYZACRYDAKZTA-BNXSYVIRSA-N 490.600 5.824 50 10 JKGE Cc1c(C(=O)Oc2ccc(-c3ccc(C#N)cc3)cc2)oc2c1/C(=N/NC(=O)c1cccs1)CCC2 40823740 MNLUKJIYYMACBW-JBASAIQMSA-N 495.560 5.878 50 10 JKGE CCOc1cc(/C=C(/C#N)C(=O)Nc2ccc(CC)cc2)ccc1OCc1cccc(Cl)c1 59255353 LYDUMMZYUXZZQP-HMAPJEAMSA-N 460.961 6.426 50 10 JKGE COc1ccc(-c2nn(CCC#N)cc2/C=C(/C#N)C(=O)Nc2cccc(C(F)(F)F)c2)cc1 96663143 GFHFEXALGQAQHA-ATVHPVEESA-N 465.435 5.037 50 10 JKGE CCc1ccc(N2C(=O)[C@@H](Cc3ccccc3C)S/C2=C(/C#N)C(=O)Nc2ccc(C)cc2)cc1 101245890 JOVWXLPXLPQYOD-SJCFVWOQSA-N 481.621 5.931 50 10 JKGE CC[C@H](C)N1C(=O)C(C#N)=C(C)/C(=C\c2cn(-c3ccccc3)nc2-c2ccc3c(c2)C[C@@H](C)O3)C1=O 101334242 SUGPQLCFTFYWJZ-BOOUKWFOSA-N 492.579 5.253 50 10 JKGE COc1cc(N/C=C(/C#N)c2nc(-c3cc4ccccc4oc3=O)cs2)c(C(C)=O)cc1OC 102416410 SGPQIRRTOWLXOW-VBKFSLOCSA-N 473.510 5.113 50 10 JKGE O=C(NC[C@H]1CCCC[C@@H]1CBr)c1cc(Br)c(Br)s1 126778900 FVFLCYXDTMCKCX-RKDXNWHRSA-N 474.056 5.204 50 10 JKGE Cc1ccc(F)c([C@@H](Br)c2cc(Br)c(C)cc2Br)c1 128815753 IDXVMNHNRKCGSH-HNNXBMFYSA-N 450.971 6.452 50 10 JKGE CCOC(=O)c1c(NC(=O)/C(C#N)=C\c2ccc(-c3ccc(C)cc3)o2)sc2c1CC[C@H](CC)C2 209399727 ZDHYPEVMYATBRE-BAOGPQIGSA-N 488.609 6.554 50 10 JKGE COc1ccc([C@@H](Br)c2ccc(Br)cc2Cl)c(OC)c1Br 224863738 ZAFQRUWPVBNCSF-ZDUSSCGKSA-N 499.424 6.367 50 10 JKGE Fc1cc([C@H](Br)c2cc(Br)cc3c2OCC3)ccc1Br 228443618 BNZTWZIVOKXLLI-AWEZNQCLSA-N 464.954 5.770 50 10 JKGE COc1c(Br)cc(Cl)cc1[C@H](Br)c1ccoc1Br 234781022 RKNVBCRAEBOMRK-SNVBAGLBSA-N 459.359 5.951 50 10 JKGE Cc1cc(Cl)c([C@@H](Br)c2ccc(F)cc2I)cc1C 235839811 XDENQDOUOFQVDL-HNNXBMFYSA-N 453.520 6.185 50 10 JKGE Cc1cc(C(=O)Oc2ccc(C=NNC(=O)c3ccc(C(C)(C)C)cc3)cc2)ccc1[N+](=O)[O-] 254402747 JJHZAGFOUFGXHN-UHFFFAOYSA-N 459.502 5.184 50 10 JKGE O=C(NN=Cc1c(Cl)cccc1Cl)c1ccc(C(=O)NN=Cc2c(Cl)cccc2Cl)o1 254441412 ZLFYNJUBRYIVHX-UHFFFAOYSA-N 498.153 5.421 50 10 JKGE CC(C)(C)OC(=O)N1CCC[C@](CBr)(OCc2cccc(Br)c2)C1 303741871 RPNISSBHBYWGRK-GOSISDBHSA-N 463.210 5.130 50 10 JKGE C[C@@H]1CCC[C@H](CO[C@@]2(CI)CCCN(C(=O)OC(C)(C)C)C2)C1 304193252 WBICWRYYZIAACA-JTDSTZFVSA-N 451.389 5.034 50 10 JKGE COc1ccc([C@H](Br)c2ccc(OCc3ccccc3)cc2)c(OC)c1Br 380516254 AVLLTAOMBKGWQE-HXUWFJFHSA-N 492.207 6.530 50 10 JKGE Brc1cscc1[C@H](Br)c1cc(Br)c2c(c1)CCCO2 689544592 MYZDQOTYDRUDNA-CYBMUJFWSA-N 467.020 6.082 50 10 JKGE CC1(C)C[C@H](NC(=O)c2cc(Br)sc2Br)C[C@H](Br)C1 693892906 BJJIWSQYIRXPLT-JGVFFNPUSA-N 474.056 5.345 50 10 JKGE C[C@@]12CN(Cc3ccccc3)C[C@]1(C)CN(c1ccc(CBr)cc1Br)C2 705953100 FMRFLBVKNUZSNR-SZPZYZBQSA-N 478.272 5.692 50 10 JKGE Clc1cccc(C[C@@H](CBr)Cc2ccc(Br)cc2)c1Br 719422709 QRJXCXFNAQMFGP-LBPRGKRZSA-N 481.453 6.661 50 10 JKGE CC1(C)CN(Cc2ccccc2)C[C@H]1n1c(CCl)nc2cc(F)c(Br)cc21 720703054 NKXQSHYCGZQTLB-LJQANCHMSA-N 450.783 5.760 50 10 JKGE COc1ccc([C@H](Cl)c2ccc(I)c(Br)c2)c(C)c1 721606057 VMILYPDCFGAMSL-OAHLLOKOSA-N 451.529 5.699 50 10 JKGE CCOc1ccc([C@H](O)CCC(=O)NN=Cc2cc(C)n(-c3ccc(Cl)cc3)c2C)cc1 725426927 HZOLXBSTCFBEBQ-XMMPIXPASA-N 453.970 5.110 50 10 JKGE O=C(OCc1ccccc1)N1C[C@@H](CBr)[C@@H](c2cc(C(F)(F)F)ccc2F)C1 725432829 VAINANLUUWETNY-PBHICJAKSA-N 460.265 5.592 50 10 JKGE Cc1cc(C=NNC(=O)CSCc2ccc(Cl)cc2)c(C)n1-c1cccc(Br)c1 725437906 FNBCBOVVTLSLGX-UHFFFAOYSA-N 490.854 5.894 50 10 JKGE CCOc1ccccc1NC(=O)NN=Cc1cc(C)n(-c2ccc(C(=O)O)c(Cl)c2)c1C 1084174694 BLIFCRISFARGAI-UHFFFAOYSA-N 454.914 5.000 50 10 JKGE O=C(NN=Cc1ccc(Oc2ccccc2)cc1)c1ccc(CSc2ccc(Cl)cc2)cc1 1084244007 DOGKWKDOFCFOJB-UHFFFAOYSA-N 472.997 7.189 50 10 JKGE Cc1ccc(-n2c(C)c(Br)c(C=NNC(=O)CCSc3ccccc3)c2C)cc1C 1084247205 OTOLKEQVMLAAMP-UHFFFAOYSA-N 484.463 6.106 50 10 JKGE CCOc1ccc([C@@H](O)CCC(=O)NN=Cc2cc(C)n(-c3ccc(C(C)C)cc3)c2C)cc1 1084280939 HCUWVFHQDLWBRN-MHZLTWQESA-N 461.606 5.580 50 10 JKGE O=C(NN=Cc1ccc(OCc2ccc(Cl)cc2Cl)cc1)c1cccc(C(F)(F)F)c1 1084499865 IOGXMDIWMOHUAJ-UHFFFAOYSA-N 467.274 6.355 50 10 JKGE Cc1c(C(=O)Oc2cccc3cccnc23)oc2c1C(=NNC(=O)c1ccccc1Cl)CCC2 1772744049 PIZANBATWVDQLM-UHFFFAOYSA-N 473.916 5.479 50 10 JKGE Cc1cc(Cl)ccc1OCC(=O)NN=Cc1cc(Br)ccc1OCc1ccccc1 1772754127 QHYMPDUHXFDABS-UHFFFAOYSA-N 487.781 5.519 50 10 JKGE CCOc1cc([C@@H]2C(C#N)=C(N)Oc3c2c(-c2ccccc2)nn3Cc2ccc(Cl)cc2)ccc1O 1865681019 CNYUIIDVROWZML-XMMPIXPASA-N 498.970 5.574 50 10 JKGE COc1ccc(-c2nn(-c3ccccn3)c3c2[C@@H](c2cccc4ccccc24)C(C#N)=C(N)O3)cc1 1865682831 YGSZRZSFIMENAI-VWLOTQADSA-N 471.520 5.314 50 10 JKGE CCc1nn(Cc2ccccc2Cl)c2c1[C@@H](c1cccc(Br)c1)C(C#N)=C(N)O2 1865684036 LNSBGIKQEQVQFN-IBGZPJMESA-N 469.770 5.128 50 10 JKGE CCCc1nn(Cc2cccc(Cl)c2)c2c1[C@@H](c1ccc(Cl)c(Cl)c1)C(C#N)=C(N)O2 1865685156 GGNSCHOUEITBEI-FQEVSTJZSA-N 473.791 6.062 50 10 JKGE COc1ccc(-c2nn(-c3ccccc3Cl)c3c2[C@@H](c2ccc(C(C)C)cc2)C(C#N)=C(N)O3)cc1 1865685368 IJLALFWXKOZNMU-VWLOTQADSA-N 496.998 6.543 50 10 JKGE CCCOc1cccc([C@H]2C(C#N)=C(N)Oc3c2c(-c2ccc(OC)cc2)nn3Cc2ccccc2)c1 1865694081 PFQOOYXXSVBGHI-SANMLTNESA-N 492.579 5.614 50 10 JKGE COc1ccc(-n2nc(C)c3c2OC(N)=C(C#N)[C@H]3c2ccc(OCc3ccc(Cl)cc3)cc2)cc1 1865694726 ACOQCKDHJAEEEG-AREMUKBSSA-N 498.970 5.640 50 10 JKGE CCOc1ccc([C@@H]2C(C#N)=C(N)Oc3c2c(-c2ccccc2)nn3Cc2ccccc2)cc1OC 1865695200 MNMXGEMHAFDHKJ-RUZDIDTESA-N 478.552 5.224 50 10 JKGE CCCCCCOc1ccc([C@H]2C(C#N)=C(N)Oc3c2c(-c2ccccc2)nn3CC)cc1OC 1865695915 JACLZUXZIYVSPF-DEOSSOPVSA-N 472.589 5.756 50 10 JKGE COc1ccccc1[C@H]1C(C#N)=C(N)Oc2c1c(C(F)(F)F)nn2-c1ccc(Cl)c(Cl)c1 1865710504 ZSSFANUGUHARGW-INIZCTEOSA-N 481.261 5.425 50 10 JKGE CCC[C@@H](NC(=O)C[C@H](c1ccccc1)c1ccc(F)c(F)c1)C(=O)Nc1ccc(SC#N)cc1 1867116244 ACIJCYVZUZCQOA-RCZVLFRGSA-N 493.579 5.984 50 10 JKGE Cc1ccc(C)c(-c2csc(/C(C#N)=C(\O)[C@H](C)Oc3ccc(Cl)cc3Br)n2)c1 1872750172 ZTDZDQDAWMISHU-NNLSSIJJSA-N 489.822 7.103 50 10 JKGE CC(C)c1csc(/C(C#N)=C(\O)CCCCCCCCCCN2C(=O)c3ccccc3C2=O)n1 1872750434 ITDNQWAXZKTQIM-GYHWCHFESA-N 479.646 6.866 50 10 JKGE N#C/C(=C(O)\C(=C/c1ccccc1)c1ccccc1)c1nc(-c2ccc3c(c2)OCCO3)cs1 1872750846 MPEVJINFPPMERT-TVUFKDQDSA-N 464.546 6.615 50 10 JKGE COc1c(Cl)cc(Cl)cc1-c1csc(/C(C#N)=C(\O)[C@@H](C)Oc2ccc(Cl)cc2)n1 1872754510 WIBVBLPAYMWLJR-HBTZSIKTSA-N 481.788 7.039 50 10 JKGE COc1c(Cl)cc(Cl)cc1-c1csc(/C(C#N)=C(\O)[C@H](C)Oc2ccc(Cl)cc2)n1 1872754511 WIBVBLPAYMWLJR-WTAXECHQSA-N 481.788 7.039 50 10 JKGE CCOc1ccc(-c2csc(/C(C#N)=C(\O)CCCOc3ccccc3)n2)c(OCC)c1 1872755656 YRJCFPNMQKUBOY-LNVKXUELSA-N 450.560 6.259 50 10 JKGE Cc1cc(C)c(-c2csc(/C(C#N)=C(\O)[C@H](CC(C)C)N3C(=O)c4ccccc4C3=O)n2)c(C)c1 1872756915 HJNPJRSDTPODLL-BMJXPWMWSA-N 485.609 6.239 50 10 JKGE COc1cc(Cl)c(C)cc1-c1csc(/C(C#N)=C(\O)[C@@H](C)Oc2ccccc2C(C)C)n1 1872757126 RKZQZGYIRRFJRT-PWEHGMCJSA-N 469.006 7.164 50 10 JKGE C[C@@H]1[C@@H](n2c(CCCl)nc3c(Br)cc(F)cc32)CCN1Cc1ccccc1 1912687326 KVZUFALNNGPGHA-KDOFPFPSSA-N 450.783 5.555 50 10 JKGE O=C(c1cc(Cl)ccc1I)N(Cc1ccccc1)[C@H](CCl)C1CC1 1915159445 OINFKTWCBPNCCJ-GOSISDBHSA-N 474.169 5.604 50 10 JKGE CC(C)[C@H](CBr)N(Cc1ccccc1)S(=O)(=O)c1cscc1Br 1915306915 BNEHZIHVPCFUQI-HNNXBMFYSA-N 481.275 5.121 50 10 JKGE CN(C[C@@H](Br)COCc1ccccc1)C(=O)c1ccccc1OCc1ccccc1 1916354932 NRVXALAPCXYVKK-JOCHJYFZSA-N 468.391 5.318 50 10 JKGE CN(C[C@H](Cl)COCc1ccccc1)C(=O)c1ccc(Br)cc1C(F)(F)F 1916370068 PFEMIMRILSCOQI-HNNXBMFYSA-N 464.709 5.364 50 10 JKGE Cc1c(Br)sc([C@@H](Br)C2CCC(C(C)(C)C)CC2)c1Br 1922881955 FZJBJOPLAHGIEO-XIVSLSHWSA-N 487.139 7.870 50 10 JKGE FC(F)c1cscc1[C@@H](Br)c1sc(Br)cc1Br 1922887053 ZOQAUQXZQPTMDR-MRVPVSSYSA-N 466.992 6.757 50 10 JKGE Cc1c(Br)sc([C@@H](Br)C2CC3(CCCCC3)C2)c1Br 1922934254 DUHVLWZOPGODIQ-LBPRGKRZSA-N 471.096 7.378 50 10 JKGE Brc1cc(Br)c([C@H](Br)C23CC4CC(CC(C4)C2)C3)s1 1922953737 HCODJQLSWIJWGS-IEQZMGIJSA-N 469.080 6.926 50 10 JKGE CCc1ccsc1[C@@H](Br)c1c(Br)sc(Br)c1Cl 1923050651 XWZAZYUFSMECPB-ZETCQYMHSA-N 479.484 7.035 50 10 JKGE Clc1c(Br)sc(Br)c1[C@H](Br)C1CC2(CCCO2)C1 1923074954 USEZSFFTAYGJFD-BCIJWEBZSA-N 479.459 6.322 50 10 JKGE CC(C)(c1ccccc1)[C@@H](Cl)c1c(Br)sc(Br)c1Br 1924596511 PPSYOFRCGBYWEF-NSHDSACASA-N 487.482 7.293 50 10 JKGE C[C@@H]1CC[C@@](C)([C@@H](Cl)c2c(Br)sc(Br)c2Br)C1(C)C 1924609384 WWPZEKVUEKRHGS-IMIVBSTGSA-N 493.530 7.778 50 10 JKGE Clc1cc([C@H](Cl)c2c(Cl)sc(Br)c2Cl)ccc1Br 1925588903 QRRNVZAXNJIOCS-QMMMGPOBSA-N 469.840 7.562 50 10 JKGE Clc1sc(Cl)c([C@@H](Cl)Cc2ccccc2I)c1Cl 1925619997 GYWDIQYRAZIOKM-ZETCQYMHSA-N 451.971 6.836 50 10 JKGE Cc1c(Br)ccc([C@H](Br)c2csc(Cl)c2)c1Br 2024279507 OODRVYHBGBEDKT-GFCCVEGCSA-N 459.428 6.719 50 10 JKGE CC(C)(C)OC(=O)N1CCC[C@@](CI)(O[C@H]2CC(C)(C)C2(C)C)C1 2025011690 RAUPSMGXBSLGTI-LIRRHRJNSA-N 451.389 5.032 50 10 JKGE COc1sc([C@H](Cl)c2ccc(Br)cc2Br)cc1Br 2034630376 VPPLBTGIWVQDHC-LLVKDONJSA-N 475.427 6.372 50 10 JKGE FC1(F)[C@H]([C@H](Br)c2cc(Br)c(Br)s2)C12CCCC2 2036155427 LZHMKQXQADTOFE-RKDXNWHRSA-N 464.995 6.535 50 10 JKGE Cn1cc(Br)c([C@@H](Br)c2cc(Br)c(Cl)cc2F)n1 2036576345 IYZNEDPOAAFLRQ-JTQLQIEISA-N 461.354 5.222 50 10 JKGE C[C@@H]1OC2(C)CC1([C@H](Br)c1c(Br)sc(Br)c1Cl)C2 2038997097 QJLGYZIPPCPKKI-HWGYLAOUSA-N 479.459 6.320 50 10 JKGE FC(F)(F)COCC[C@@H](Br)c1ccc(Br)cc1Br 2083336530 AVTRMBWLUWXLIS-SECBINFHSA-N 454.906 5.617 50 10 JKGE C[C@@H](CBr)[C@@H]1CCCCN1C(=O)c1csc(Br)c1Br 2093944938 SIJJFBCRRWUNJV-WPRPVWTQSA-N 474.056 5.299 50 10 JKGE CC1(C)C[C@@H](Br)CCN(C(=O)c2csc(Br)c2Br)C1 2093947152 PWPQOZJTKAKNNE-QMMMGPOBSA-N 474.056 5.299 50 10 JKGE C[C@H]1[C@@H](n2c(CCl)nc3cc(Br)c(Cl)cc32)CCN1Cc1ccccc1 2103625559 YIKIJGOOWPHLIJ-UGSOOPFHSA-N 453.211 6.027 50 10 JKGE C[C@@H](Br)CN(Cc1ccccc1)C(=O)c1ccc(OC(F)(F)F)c(Cl)c1 2107092049 DJBUMAKVXHPPHA-GFCCVEGCSA-N 450.682 5.664 50 10 JKGE COc1ccc(C[C@H](Br)c2csc(Br)c2Br)cc1F 2112117143 PIKXFHJJGXRGPF-VIFPVBQESA-N 472.999 6.100 50 10 JKGE C[C@H](CCCCCI)NC(=O)c1ccc(Cl)cc1Br 2117892884 GFAMIROIWKENQK-SNVBAGLBSA-N 458.565 5.216 50 10 JKGE COc1c(C)cc(Br)c(C)c1[C@@H](Br)c1cc(Br)sn1 2120036972 AYMJPFNVJVQQRG-LBPRGKRZSA-N 470.024 5.778 50 10 JKGE Cc1cc([C@@H](Cl)c2ccc(Br)c(C)c2Br)ccc1Br 2138867652 XXPYVAIKXJZYHD-OAHLLOKOSA-N 467.426 6.919 50 10 JKGE Fc1ccc([C@H](Cl)c2ccc(Br)cc2I)c(F)c1Cl 2142291777 OGTRRSOPHNHRBE-LLVKDONJSA-N 477.901 6.314 50 10 JKGE CC(C)[C@@H]1CC[C@H](Br)[C@@H](Cc2ccc(I)c(Cl)c2)C1 2142954233 VZGDFWSSEWSALF-RDBSUJKOSA-N 455.605 6.323 50 10 JKGE O=C(Nc1cc(Br)c(Br)c(Br)c1)[C@H](Cl)c1ccccc1 2151791247 VTWDAIHZRXIKJN-CYBMUJFWSA-N 482.397 5.893 50 10 JKGE CCCC(CBr)(CCC)CN1C[C@H](CC)N(C(=O)OCc2ccccc2)C[C@H]1CC 2162985328 HIZIEWPFJTTYQR-PKTZIBPZSA-N 481.519 6.480 50 10 JKGE C[C@H](c1cccs1)N(Cc1ccccc1)S(=O)(=O)Cc1cccc(CBr)c1 2179784803 DXGVGJLXWBZBFI-QGZVFWFLSA-N 464.450 5.736 50 10 JKGE Clc1sc(Br)c(Cl)c1[C@H](Br)[C@H]1C[C@@H]1C1CCCCCC1 2199988021 KCZSVXGQFPSERF-JFGNBEQYSA-N 461.090 7.860 50 10 JKGE COc1cc2c(cc1Br)nc([C@@H](C)Cl)n2C[C@H](C)N(C)Cc1ccccc1 2202312667 XVIACZCNJFFQIP-LSDHHAIUSA-N 450.808 5.628 50 10 JKGE Cc1sc(Br)c(C)c1[C@@H](Br)c1ccc(F)cc1Br 2218801531 VRDUJEIKGSIFLX-LBPRGKRZSA-N 457.000 6.513 50 10 JKGE Cc1ccc([C@@H](Br)c2cc(Cl)c(F)cc2Cl)cc1I 2224628691 PSPKZLSEDTVRAS-CQSZACIVSA-N 473.938 6.530 50 10 JKGE CCOCc1cc(Br)c([C@H](Br)c2scc(Br)c2C)s1 2226127439 WCTJYLPJSCNUTJ-LLVKDONJSA-N 489.092 6.664 50 10 JKGE Cc1sc([C@H](Br)Cc2ccc(Br)cc2Cl)c(Br)c1C 2229329726 MQSALKVXDNXRQB-LLVKDONJSA-N 487.482 7.222 50 10 JKGE Cc1cc(Br)c(CN(C)c2ccc(CBr)c(Br)c2)s1 2229402626 OMDRUDAXTKUQDP-UHFFFAOYSA-N 468.052 6.113 50 10 JKGE C[C@H]1[C@@H](n2c(CCCl)nc3c(F)cc(Br)cc32)CCN1Cc1ccccc1 2232922319 VZWFXZUUHHVVTM-KSSFIOAISA-N 450.783 5.555 50 10 JKGE COc1cc(Br)c([C@@H](Br)c2c(C)nn(C)c2Br)cc1C 2236019497 WPYKTGPNKYQOKG-CYBMUJFWSA-N 466.999 5.055 50 10 JKGE CCc1nn(C)c([C@@H](Br)c2cc(Br)c(Br)cc2F)c1Cl 2240931427 XOOFRBAFDVNAQY-NSHDSACASA-N 489.408 5.784 50 10 JKGE CCc1cc(Br)c([C@@H](Br)c2scc(Br)c2Cl)s1 2246467224 VQASNFDUZXKBRR-MRVPVSSYSA-N 479.484 7.035 50 10 JKGE Fc1cc(Br)c(Cl)cc1[C@H](Cl)c1scc(Br)c1Cl 2253599047 KVANJDFSEFBWEG-VIFPVBQESA-N 453.385 7.047 50 10 JKGE CC[C@H](Br)CN(Cc1ccccc1)C(=O)c1cc(Br)cc(C(C)C)c1 2254750745 MNBHVASSMWEVRH-IBGZPJMESA-N 467.245 6.388 50 10 JKGE Fc1cc([C@H](Cl)c2cc(Br)c(Br)s2)c(Cl)cc1Br 2255969577 KOLRJXSHVYORGF-JTQLQIEISA-N 497.836 7.156 50 10 JKGE Cc1sc(C)c([C@H](Br)c2ccc(Cl)c(I)c2)c1C 2256339787 XMWTYEUUQKJXFO-CQSZACIVSA-N 455.586 6.416 50 10 JKGE COc1ccc([C@H](Cl)c2scc(Br)c2C)cc1I 2257365575 SGIFSPVTXUHIJX-LBPRGKRZSA-N 457.558 5.760 50 10 JKGE Fc1cc(Br)c(F)c(Br)c1[C@H](Cl)c1cscc1Br 2260000367 YWYKIZBGLPGSJC-SNVBAGLBSA-N 481.381 6.642 50 10 JKGE Cl[C@@H](C[C@H]1CCCCC12CC2)c1c(Br)sc(Br)c1Br 2264947856 NUIGZSPIPYLDJT-BDAKNGLRSA-N 491.514 7.676 50 10 JKGE COc1sc([C@H](Br)c2cc(Br)c(F)cc2C)cc1Br 2270453177 NOMGNRCLWDZRNT-GFCCVEGCSA-N 472.999 6.214 50 10 JKGE COCC1([C@H](Br)Cc2cc(Br)cc(Br)c2)CCCC1 2277962215 DRFGKYGKZAQJEC-CQSZACIVSA-N 455.028 5.724 50 10 JKGE Clc1cccc([C@@H](Br)c2csc3c(Br)cccc23)c1Br 2283201011 YRQGLUJULRSMCZ-CYBMUJFWSA-N 495.461 7.564 50 10 JKGE Cc1cc(Br)c([C@@H](Br)[C@H]2C[C@H](S(C)(=O)=O)C2)c(C)c1Br 2285274448 NUPQGASLQYCCPG-BHDSKKPTSA-N 489.067 5.088 50 10 JKGE FC(F)[C@H]1CCC[C@H]1COc1c(Br)cc(Br)cc1CBr 2285578029 BAYRUTVIAQIJFV-KWQFWETISA-N 476.981 6.167 50 10 JKGE FC(F)C1(CBr)CCN(Cc2cc(Cl)ccc2I)CC1 2289885377 ICTUTBVDAXVKHN-UHFFFAOYSA-N 478.546 5.187 50 10 JKGE CC(C=NNC(=O)CSc1nnc(-c2ccc(Cl)cc2)n1-c1ccccc1)=Cc1ccccc1 2293127147 YUARXJSCWJBTDZ-UHFFFAOYSA-N 488.016 5.885 50 10 JKGE COc1cc(C=C(C#N)c2nc3ccccc3[nH]2)cc(Br)c1OCc1ccc(C#N)cc1 2293779492 SHTULFILUYXISW-UHFFFAOYSA-N 485.341 5.849 50 10 JKGE COc1cc(C)c(Cl)cc1[C@H](Br)c1ccc(I)c(Cl)c1 2295298268 FYENLDABMNEXJH-OAHLLOKOSA-N 485.974 6.399 50 10 JKGE CC(=NNC(=O)CSCc1ccc([N+](=O)[O-])cc1)c1cccc(NC(=O)c2cccc(Cl)c2)c1 2295513588 NFAPXXLDFPJFQJ-UHFFFAOYSA-N 496.976 5.274 50 10 JKGE COc1ccc(Oc2nc3c(C)cccn3c(=O)c2C=C(C#N)c2nc3ccccc3s2)cc1 2296719317 BCHWADCOWIKLGB-UHFFFAOYSA-N 466.522 5.478 50 10 JKGE CCCCSc1ccc(-c2nn(-c3ccccc3)cc2C=C(C#N)c2nc3ccccc3[nH]2)cc1 2296731205 DSNBWTOCRQOTTB-UHFFFAOYSA-N 475.621 7.372 50 10 JKGE FC1(F)CCC[C@@H]2[C@@H]([C@@H](Br)c3cc(Br)sc3Br)[C@@H]21 2309460065 TWTCPYRPMCEPSZ-KBHCAIDQSA-N 464.995 6.391 50 10 JKGE Brc1cc(OCc2ccccc2)ccc1[C@H](Br)c1cc2c(s1)CCC2 2314448036 DMOAKNQJWOIZBU-NRFANRHFSA-N 478.249 7.063 50 10 JKGE Cc1ccc(C[C@@H]2SC(=C(C#N)C(=O)N[C@H](C)c3ccccc3)N(c3ccc(C)c(C)c3)C2=O)cc1 2314593280 KUGRWEINLJQQNO-AMGIVPHBSA-N 495.648 5.916 50 10 JKGE CCCCCN1C(=O)C(=Cc2ccc(OCc3ccccc3F)c(OC)c2)C(C)=C(C#N)C1=O 2314610669 KVYHFCNQPGQCCK-UHFFFAOYSA-N 462.521 5.196 50 10 JKGE C=CCOc1ccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)C=Cc4ccccc4)ccc32)cc1 2314634679 XBTCGHHEBUVOGN-HHHXNRCGSA-N 450.494 5.088 50 10 JKGE Cc1cc(Br)c(F)c(Br)c1[C@@H](Br)[C@H](F)C(F)(F)F 2317404583 UOUORLHMPHJLIS-APPZFPTMSA-N 460.860 5.996 50 10 JKGE C[C@H]1C[C@@H](CBr)CCN1Cc1ccc(I)c(Br)c1 2325203240 CCCWKXSQASJDGP-QWRGUYRKSA-N 487.017 5.049 50 10 JKGE CC[C@H](NC=C(C#N)C(=O)Nc1ccc(I)cc1C)c1ccc2c(c1)CCCC2 2325405992 DZNWKEBROLWFHU-QFIPXVFZSA-N 499.396 5.565 50 10 JKGE N#CC(=Cc1c(O)ccc2cc(Br)ccc12)c1cc2c(cc1[N+](=O)[O-])OCCO2 2331051383 HQIAJSXZJDFRNY-UHFFFAOYSA-N 453.248 5.051 50 10 JKGE COc1ccc(-c2csc(C(C#N)=C(O)c3ccccc3I)n2)cc1C 2331260188 OGOKRCHWFFPJDW-UHFFFAOYSA-N 474.323 5.682 50 10 JKGE COc1cc(C)c(-c2csc(C(C#N)=C(O)C(=Cc3ccccc3)c3ccccc3)n2)cc1C(C)C 2331353980 VIKVLERIRNSWIH-UHFFFAOYSA-N 492.644 8.284 50 10 JKGE COc1c(Cl)cc(-c2csc(C(C#N)=C(O)Cc3ccc(OC(C)C)cc3)n2)cc1Cl 2331396889 KYFUGAMUYBRVJY-UHFFFAOYSA-N 475.397 6.948 50 10 JKGE COc1ccc(-c2csc(C(C#N)=C(O)Cc3ccc(OC(C)C)cc3)n2)c2ccccc12 2331405002 CVEFWSSAPRXVIR-UHFFFAOYSA-N 456.567 6.794 50 10 JKGE Cc1ccccc1COc1ccc(C=C(C#N)c2nc(-c3ccc(Cl)cc3Cl)cs2)cc1 2331424573 AEODKKWJPUCRGZ-UHFFFAOYSA-N 477.416 8.069 50 10 JKGE COc1cc(C=C(C#N)c2nc(-c3cccs3)cs2)ccc1OCc1ccc(Cl)cc1Cl 2331450911 RQSLJAXLQUUQBL-UHFFFAOYSA-N 499.444 7.830 50 10 JKGE COc1cc(-c2csc(C(C#N)=Cc3c(Cl)cccc3Cl)n2)c(OC)cc1Cl 2331471171 STFAEECZYLPMTI-UHFFFAOYSA-N 451.762 6.852 50 10 JKGE C[C@@H]1C[C@H]([C@H](Br)c2c(Cl)cc(Br)c(F)c2Br)[C@@H](C)O1 2337083312 XUSFTFZHNCTSEB-MNRJBDMISA-N 479.409 6.254 50 10 JKGE CCCc1sc(Br)cc1[C@H](Cl)c1ccc(I)c(C)c1 2338017192 JYDLIUPRRSJCEU-OAHLLOKOSA-N 469.613 6.704 50 10 JKGE Cc1cc(OCc2ccc(I)c(Br)c2)c(CCl)cn1 2350072885 HCEPLTBNJRCBQX-UHFFFAOYSA-N 452.517 5.075 50 10 JKGE Clc1ccc(I)cc1CN1[C@H]2CCC[C@@H](Br)[C@H]1CC2 2352420052 FTVWPSKCCWUHJR-GZBFAFLISA-N 454.577 5.225 50 10 JKGE COc1cc([C@H](Br)c2cc(Br)c(Cl)s2)c(OC)cc1Cl 2363519412 RHDBCFZRDLPSJV-LBPRGKRZSA-N 461.002 6.319 50 10 JKGE CC1CCC2(CC1)[C@@H](Cl)C[C@@H]2Oc1cc(Br)cc(I)c1 2364105971 GGBWXRAJJHDTBA-SIBYTZNVSA-N 469.588 6.009 50 10 JKGE COc1ccc(C[C@@H](Br)c2sc(C)c(C)c2Br)c(Br)c1 2364263189 JQDSYIOBYOWUJU-CYBMUJFWSA-N 483.063 6.577 50 10 JKGE CO[C@@H]1CCC[C@@H]([C@@H](Br)c2c(C)cc(Br)c(F)c2Br)C1 2365178399 JELMVZGKKRPYNC-GIPNMCIBSA-N 473.018 6.300 50 10 JKGE Cc1ccc([C@@H](CBr)OCc2cc(I)ccc2Cl)cc1 2380354243 WJKBDVYFLRAIQH-MRXNPFEDSA-N 465.556 5.906 50 10 JKGE O=C(N[C@H](CCBr)COCc1ccccc1)C1CCC(CC(F)(F)F)CC1 2381931096 SURPOQBAKHMEFC-VMWRSERWSA-N 450.339 5.232 50 10 JKGE N#C/C(C(=O)Nc1ccc(Cl)cc1)=C1\S[C@H](Cc2ccccc2)C(=O)N1c1ccc(F)cc1 1790097 DUTBBNPJXUJFSB-FNBPXTNNSA-N 477.948 5.544 50 10 JKGE Cc1ccccc1N/C(SCc1cccc(Br)c1)=C(/C#N)C(=O)NCc1ccco1 3059000 JXXDRKXSVXAVRJ-BSYVCWPDSA-N 482.403 5.747 50 10 JKGE CCCC/C(=N\NC(=O)COc1ccc(Br)cc1Br)c1ccccc1 12584030 HLWBVRHSKXSGLZ-OQKWZONESA-N 468.189 5.301 50 10 JKGE O=C(NN=Cc1ccc(OC(F)F)cc1)c1ccc(CSc2nc3ccccc3[nH]2)cc1 12728710 BZIXDJZOAOSSJY-UHFFFAOYSA-N 452.486 5.221 50 10 JKGE CC[C@@H](Oc1ccc(-c2ccccc2)cc1)C(=O)NNC(=O)c1ccc(OCCC(C)C)cc1 14768923 PGVNTAKMVYFHIA-AREMUKBSSA-N 460.574 5.397 50 10 JKGE CC[C@H](Oc1ccc(-c2ccccc2)cc1)C(=O)NNC(=O)[C@@H](C)Oc1ccc2ccccc2c1 14768969 JQMSUKPYPZUCIT-HRFSGMKKSA-N 468.553 5.279 50 10 JKGE COc1ccc(/C(C#N)=C\c2cccc(OC(=O)/C=C/c3ccc([N+](=O)[O-])cc3)c2)cc1OC 31902967 VKXCEWUNRNKTBN-DOJIRPKPSA-N 456.454 5.295 50 10 JKGE COc1cc(/C=C(/C#N)C(=O)Nc2cc([N+](=O)[O-])ccc2F)ccc1OCc1cccc2ccccc12 33344040 WZTDXVDPTOMYNK-BKUYFWCQSA-N 497.482 6.020 50 10 JKGE CC(C)(C)c1ccc(Oc2nc3ccccn3c(=O)c2/C=C(/C#N)C(=O)NCc2ccccc2)cc1 33386608 KLNWZQSWBJEARZ-FXBPSFAMSA-N 478.552 5.008 50 10 JKGE COc1cc(/C=C(/C#N)C(=O)Nc2ncc(Cc3cccc(Cl)c3Cl)s2)ccc1O 35328824 VNPZHGGARILROJ-AUWJEWJLSA-N 460.342 5.301 50 10 JKGE CCCCOc1ccccc1C(=O)Oc1ccc2c(c1)OC(N)=C(C#N)[C@@H]2c1ccc(C(C)C)cc1 38649662 LYTZXXKYEQUGHV-MUUNZHRXSA-N 482.580 6.426 50 10 JKGE C=CCOc1ccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)COc4ccc(Cl)cc4)ccc32)cc1 38658034 AMDAKJXZHDMCMO-SANMLTNESA-N 488.927 5.107 50 10 JKGE CCCOc1ccccc1[C@H]1C(C#N)=C(N)Oc2cc(OC(=O)[C@H](C)Oc3ccc(F)cc3)ccc21 38681632 AFRCEXXGJCOJLJ-MRDQGFSESA-N 488.515 5.206 50 10 JKGE CSc1ccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)[C@H](C)Oc4ccc(F)cc4)ccc32)cc1 38682433 BADFMPCTMPTMTA-IZHWHUGBSA-N 476.529 5.139 50 10 JKGE C[C@@H](Oc1ccc(-c2ccccc2)cc1)C(=O)N/N=C/c1cn(Cc2ccccc2)c2ccccc12 40959739 HUKJBRXIKYPOBM-SBUWOATQSA-N 473.576 6.274 50 10 JKGE N#C/C(=C/c1ccc(OCc2c(Cl)cccc2Cl)cc1)C(=O)Nc1ccc(Cl)cc1 59116919 BRNMNSHXTAHCJQ-VBKFSLOCSA-N 457.744 6.771 50 10 JKGE N#C/C(=C/c1cc(Br)ccc1OCc1ccccc1)C(=O)Nc1cccc(Cl)c1 59117028 ZVFTYJAUNDPDOP-WQRHYEAKSA-N 467.750 6.227 50 10 JKGE O=C(N/N=C/c1ccc(OCc2ccc([N+](=O)[O-])cc2)cc1)c1cc2cc(Br)ccc2o1 59305333 NGADLZOFFXTUED-DHRITJCHSA-N 494.301 5.446 50 10 JKGE CCCC[C@@H](CC)CN(C(=O)CCl)[C@@H](C(=O)NC1CCCCC1)c1ccc(OC)cc1 97914336 UNNKODKAFZVWCT-NTKDMRAZSA-N 451.051 5.469 50 10 JKGE CCCCCCCCCCCCCC(=O)NNC(=O)COc1ccc(C(C)C)cc1Br 100443093 WEORZJKXHPLQKA-UHFFFAOYSA-N 497.518 6.800 50 10 JKGE N#C/C(=C/Nc1ccccc1I)c1nc(-c2ccc([N+](=O)[O-])cc2)cs1 100477474 DMFQLQYHUIOUBS-RAXLEYEMSA-N 474.283 5.299 50 10 JKGE CCCCCCCCCCCCCCCCNc1ncnc(NNC(=O)c2ccncc2)c1[N+](=O)[O-] 101479333 CHNSAXIVCFVLGX-UHFFFAOYSA-N 499.660 6.430 50 10 JKGE Cc1ccc(C[C@@H]2S/C(=C(\C#N)C(=O)Nc3ccccc3Cl)N(c3ccccc3)C2=O)cc1 102666111 GJTZINGSABFQQO-XCQFTPQJSA-N 473.985 5.713 50 10 JKGE CCCCCCOc1ccc(/C=C(/C#N)C(=O)Nc2ncc(Cc3ccc(C)cc3)s2)cc1OC 102974053 HGBABEPYDRDEDB-HAHDFKILSA-N 489.641 6.556 50 10 JKGE COc1ccc(Br)c(C[C@H](CBr)c2cccc(Br)c2)c1 118859220 WWIHDHGOZWIAHZ-CYBMUJFWSA-N 463.007 5.941 50 10 JKGE Cc1cc(Br)c([C@@H](Br)c2ccc(Br)c(Cl)c2)s1 148981972 JVYBRPKTTZNHBM-NSHDSACASA-N 459.428 6.719 50 10 JKGE CCCCOc1ccc(/C=C(/C#N)C(=O)Nc2nc(-c3ccc(-c4ccccc4)cc3)cs2)cc1 206414228 QFVRRDDQFVOHGJ-BWAHOGKJSA-N 479.605 7.202 50 10 JKGE CCCCCCOc1ccc(/C=C(/C#N)C(=O)Nc2nc(-c3ccc(CC)cc3)cs2)cc1OC 206694199 KVJJDBLODVLKFV-KQWNVCNZSA-N 489.641 6.886 50 10 JKGE Cc1cccc(N/C=C(/C#N)C(=O)N2CCN(C(c3ccccc3)c3ccccc3)CC2)c1C 216493610 LPCXXTJVFIAUEE-QLYXXIJNSA-N 450.586 5.057 50 10 JKGE COc1ccc([C@@H](Br)c2ccc(C)cc2Br)c(OC)c1Br 224856755 CHLUTQNNLYWBFZ-AWEZNQCLSA-N 479.006 6.022 50 10 JKGE Clc1cc([C@H](Br)Cc2nc3ccccc3o2)ccc1I 232386595 MFLZPDFHZPKSGO-SNVBAGLBSA-N 462.512 5.765 50 10 JKGE O=C(NC1(CBr)CCCCC1)c1ccc(Br)cc1Br 232476322 ORTTVNKVIQDFAU-UHFFFAOYSA-N 454.000 5.039 50 10 JKGE Cc1ccccc1C[C@@H](Br)c1cc(I)ccc1Br 235789967 KIUCNTWJCPQPOY-OAHLLOKOSA-N 479.981 6.041 50 10 JKGE CCCCCCc1ccc(OCCOc2ccc(C=NNC(=O)c3ccccc3)cc2OC)cc1 254518950 UJIZWXXFYSZDGL-UHFFFAOYSA-N 474.601 6.040 50 10 JKGE CCc1ccc(O[C@H](C)C(=O)NN=Cc2ccc(OCc3ccccc3Cl)c(OC)c2)cc1 256018497 MUKUOFVVEKIBQP-GOSISDBHSA-N 466.965 5.408 50 10 JKGE FC(F)(F)c1csc([C@@H](Br)c2ccoc2Br)c1Br 310670799 HYUOLBAEGMUDNU-LURJTMIESA-N 468.914 6.369 50 10 JKGE Brc1ccc(Br)c([C@H](Br)C(C2CCC2)C2CCC2)c1 312033689 YZHAWASVSAYWGS-INIZCTEOSA-N 451.040 6.864 50 10 JKGE Cc1ccc([C@@H](Br)c2scc(C(F)(F)F)c2Br)c(Br)c1 312269248 MFJKESVQCLLIOK-SNVBAGLBSA-N 492.980 7.085 50 10 JKGE Fc1cccc([C@@H](Cl)c2cc(I)cc3c2OCC3)c1Br 379939215 AKRLKKBVKCEZAV-CQSZACIVSA-N 467.503 5.456 50 10 JKGE Cc1cccc2nc(CCl)n(-c3ccc(Br)c(I)c3)c12 380009957 DCBFKHZMFWSHMQ-UHFFFAOYSA-N 461.528 5.440 50 10 JKGE CC[C@H](C)[C@H](CO[C@](C)(CI)c1ccccc1Br)OC 384681768 GKGUYBUDQAJCRO-VBNZEHGJSA-N 455.174 5.177 50 10 JKGE CN(C(=O)OC(C)(C)C)c1ccc([C@H]2CCCCCN2CCO[Si](C)(C)C(C)(C)C)cc1 616604546 FTAMLQUJYIATFW-HSZRJFAPSA-N 462.751 6.997 50 10 JKGE BrCc1cc(Br)c(OCCOCC2CCC2)c(Br)c1 690385506 UDTBGNHNPGIPLO-UHFFFAOYSA-N 457.000 5.302 50 10 JKGE CCC(F)(F)C(C)(C)[C@@H](Br)c1cc(I)cc2c1OCC2 691609095 UZIOPCPZPOTHSF-ZDUSSCGKSA-N 459.112 5.734 50 10 JKGE Cc1ccc([C@H](Cl)c2cc(Br)sc2Br)c(C)c1Br 719608564 LKJWPMRXOJUGSF-LBPRGKRZSA-N 473.455 6.981 50 10 JKGE Cc1ccc(C)c(NC(=O)/C(C#N)=C\c2cn(Cc3ccc(Br)cc3)c3ccccc23)c1 1084030663 ONAGUQHGOXGNNE-STZFKDTASA-N 484.397 6.615 50 10 JKGE N#C/C(=C/c1ccc(-c2cccc(Cl)c2Cl)o1)C(=O)N1CCN(c2ccccc2)CC1 1084109944 XUXFJJQUTQIBBW-ICFOKQHNSA-N 452.341 5.509 50 10 JKGE N#C/C(=C\c1ccccc1OCc1ccc2ccccc2c1)C(=O)N1CCN(c2ccccc2)CC1 1084179711 SKTSSZYHXPMTKZ-SGWCAAJKSA-N 473.576 5.675 50 10 JKGE O=C(NN=Cc1ccccc1OCc1ccc(Cl)cc1)c1cc(-c2ccccc2)nc2ccccc12 1084350486 JPTHHYYVVLTHRJ-UHFFFAOYSA-N 491.978 6.898 50 10 JKGE O=C(NN=Cc1ccc(-c2ccc(Cl)c(Cl)c2)o1)C(=O)Nc1cccc(C(F)(F)F)c1 1084464985 OXRUPOKINKSDGM-UHFFFAOYSA-N 470.234 5.361 50 10 JKGE O=C(CCCC(=O)Nc1ccc(Br)cc1)NN=Cc1ccc(Cl)c(Cl)c1 1084486537 YELBDYOZXKSKRL-UHFFFAOYSA-N 457.155 5.015 50 10 JKGE CC(C)c1ccc2c(c1)CC[C@H]1[C@]2(C)CCC[C@@]1(C)CNC(=O)CCCC[C@@H]1CCSS1 1615155714 CKUJQKQSBXESPV-HWGYZFRUSA-N 473.792 7.651 50 10 JKGE Cc1c(C(=O)Nc2cccc3ccccc23)oc2c1C(=NNC(=O)c1ccc(F)cc1)CCC2 1772744706 HVTHGZSINOKONR-UHFFFAOYSA-N 455.489 5.603 50 10 JKGE Cc1ccc2cccc(OC(=O)c3oc4c(c3C)C(=NNC(=O)c3cccc([N+](=O)[O-])c3)CCC4)c2n1 1772745814 IDXIWIGWINBMME-UHFFFAOYSA-N 498.495 5.042 50 10 JKGE N#CSc1ccc(NC(=O)c2cccc(NC(=O)CCC(=O)c3ccc(Cl)cc3)n2)cc1 1860566530 DFHBCUDHFNENKG-UHFFFAOYSA-N 464.934 5.162 50 10 JKGE Cc1ccc(C)c(Cn2nc(C(F)(F)F)c3c2OC(N)=C(C#N)[C@H]3c2c(Cl)cccc2Cl)c1 1865685434 IPQSURYFSXKWTQ-KRWDZBQOSA-N 493.316 6.092 50 10 JKGE CCCCCOc1ccc([C@H]2C(C#N)=C(N)Oc3c2c(CC)nn3Cc2ccc(F)cc2)cc1 1865693058 KWSYWOIHHWZYGG-DEOSSOPVSA-N 460.553 5.420 50 10 JKGE CCCOc1ccc([C@@H]2C(C#N)=C(N)Oc3c2c(-c2ccccc2)nn3Cc2cccc(Cl)c2)cc1 1865694269 SBPJZTAYUPZDGC-RUZDIDTESA-N 496.998 6.259 50 10 JKGE Cc1nn(Cc2c(F)cccc2Cl)c2c1[C@@H](c1cc(Br)ccc1F)C(C#N)=C(N)O2 1865702058 LRASRVZPEVLUPW-IBGZPJMESA-N 491.723 5.152 50 10 JKGE Cc1ccc(-n2nc(C)c3c2OC(N)=C(C#N)[C@@H]3c2ccc(OCc3ccccc3C)cc2)cc1 1865703497 WUDWAGKLQPONCW-MHZLTWQESA-N 462.553 5.595 50 10 JKGE CCCCc1ccc(-c2csc(/C(C#N)=C(O)/C=C/c3ccc(OCC)c(OC)c3)n2)cc1 1872744693 DMILFEICJNLOFQ-ZOVGXLEKSA-N 460.599 7.066 50 10 JKGE CC(C)c1ccccc1O[C@@H](C)/C(O)=C(\C#N)c1nc(-c2ccc(Cl)cc2Cl)cs1 1872745222 YHXBSLNTTUTQFW-RJHYDAJSSA-N 459.398 7.500 50 10 JKGE CC[C@H](C)[C@H](/C(O)=C(\C#N)c1nc(-c2ccc(Cl)cc2)cs1)N1C(=O)c2ccccc2C1=O 1872748451 XYUSBCAUZLEKQR-RRICSCRSSA-N 477.973 5.967 50 10 JKGE N#C/C(=C(/O)CCCCCNC(=O)c1ccccc1)c1nc(-c2ccc(Cl)c(Cl)c2)cs1 1872749200 GRLGFUFVOXPVLU-PYCFMQQDSA-N 486.424 6.900 50 10 JKGE CCCOc1ccc(-c2csc(/C(C#N)=C(\O)CCCOc3ccccc3Cl)n2)cc1 1872749335 MOLHDLLWBBFJEH-QOCHGBHMSA-N 454.979 6.904 50 10 JKGE CCc1cccc(CC)c1N1C[C@@H](/C(O)=C(\C#N)c2nc(-c3cc(C)ccc3C)cs2)CC1=O 1872749921 NUFGJZWZANEWER-GYSBHSFWSA-N 471.626 6.398 50 10 JKGE CCCCc1ccc(N2C[C@H](/C(O)=C(\C#N)c3nc(-c4ccc(C(C)(C)C)cc4)cs3)CC2=O)cc1 1872750638 IRPNEZSVMQPDRZ-AOKXBXCXSA-N 499.680 7.296 50 10 JKGE CCCOc1ccc(C/C(O)=C(\C#N)c2nc(-c3cc(C(C)(C)C)ccc3OC)cs2)cc1 1872751806 ULBWFZNQDSYJBA-GYHWCHFESA-N 462.615 6.940 50 10 JKGE COc1ccc(C(C)(C)C)cc1-c1csc(/C(C#N)=C(\O)c2ccc(-n3cccc3)cc2)n1 1872752003 YXRFOWGEZXUCRF-LVWGJNHUSA-N 455.583 6.857 50 10 JKGE CC[C@H](C)N1C(=O)c2ccc(/C(O)=C(\C#N)c3nc(-c4cccc5ccccc45)cs3)cc2C1=O 1872752406 AUVQXVNZRDPARC-LDWQWDCMSA-N 479.561 6.308 50 10 JKGE COc1cc(C)c(-c2csc(/C(C#N)=C(\O)CNS(=O)(=O)c3ccc(C)cc3)n2)cc1C(C)C 1872753639 HGXOWBDLDNHPRU-LNVKXUELSA-N 497.642 5.330 50 10 JKGE COc1c(Cl)cc(Cl)cc1-c1csc(/C(C#N)=C(\O)Cc2ccccc2[N+](=O)[O-])n1 1872754271 KRVOJTOIADFNNE-JXAWBTAJSA-N 462.314 6.069 50 10 JKGE COc1ccc(-c2csc(/C(C#N)=C/c3ccccc3OCc3ccc(Cl)cc3)n2)cc1OC 1872781746 NYSCTUKRVQMQGY-FYJGNVAPSA-N 488.996 7.124 50 10 JKGE CCCOc1c(Br)cc(/C=C(\C#N)c2nc(-c3ccccc3)cs2)cc1OC 1872790091 KOKJNVWJLIDJTR-LICLKQGHSA-N 455.377 6.434 50 10 JKGE CCCCCOc1ccc(/C=C(\C#N)c2nc(-c3cc(Cl)ccc3Cl)cs2)cc1OC 1872794972 GSZWIJLGENXTMN-GZTJUZNOSA-N 473.425 7.759 50 10 JKGE CCCOc1ccc(-c2csc(/C(C#N)=C(\O)Cc3ccc(OC(C)C)cc3)n2)cc1OCCC 1872817866 ATQJFQCNUZTDOX-BZZOAKBMSA-N 492.641 7.210 50 10 JKGE Cc1c(Cl)sc(Cl)c1[C@@H](Br)c1csc(I)c1 1899889323 SKRWYAAAKSZJAZ-QMMMGPOBSA-N 468.006 6.514 50 10 JKGE Brc1ccc(Br)c([C@H](Br)c2cnsc2Br)c1 1900432738 AWNVZKVCRHCSPB-VIFPVBQESA-N 490.840 5.915 50 10 JKGE C[C@H](CBr)N(Cc1ccccc1)C(=O)c1ccc(Br)c(C(F)(F)F)c1 1914230134 VDCYMGHVNHLUDV-GFCCVEGCSA-N 479.134 5.894 50 10 JKGE COc1sccc1[C@@H](Br)c1sc(Br)c(C)c1Br 1922931428 CBASHAITDZEILO-MRVPVSSYSA-N 461.038 6.136 50 10 JKGE Clc1c(Br)sc(Br)c1[C@@H](Br)c1ccc2c(c1)CCO2 1923067979 LFDUHRNEPQHINN-JTQLQIEISA-N 487.438 6.346 50 10 JKGE FC1(F)CC12CC([C@H](Cl)c1c(Br)sc(Br)c1Br)C2 1924569054 PHCZAGOOHZUGGZ-JGPKUNILSA-N 485.413 6.751 50 10 JKGE O=C(O)[C@@H]1CCN(C(=O)OCC2c3ccccc3-c3ccccc32)[C@H]1CCCC[C@H]1CCSS1 1952785771 FPMJLZAHSGJYAX-UODBTFMRSA-N 497.682 6.425 50 10 JKGE Clc1c(Br)sc(Br)c1[C@H](Br)[C@@H]1[C@H]2CCO[C@H]21 1983249111 IPAFPAWJWHUXOX-QZNHMKJZSA-N 451.405 5.397 50 10 JKGE Clc1cccc(Cl)c1C[C@@H](Br)c1cc(I)sn1 2007642495 CECRXLCFJDPLJU-SSDOTTSWSA-N 462.965 5.733 50 10 JKGE Cc1c(Br)sc([C@@H](Br)C2(CC(F)(F)F)CC2)c1Br 2056618478 HAGRAXJPZBFQCA-MRVPVSSYSA-N 470.974 6.750 50 10 JKGE CCN(C[C@@](C)(CI)OCCC(C(C)C)C(C)C)C(=O)OC(C)(C)C 2068953742 ULNDIQIXVQOQLT-HXUWFJFHSA-N 469.448 5.772 50 10 JKGE CN(C[C@H]1C[C@H]1Br)C(=O)c1cc(Cl)c(NC(=O)OC(C)(C)C)c(Cl)c1 2076220166 IVAQRBAFFXLGFR-GHMZBOCLSA-N 452.176 5.196 50 10 JKGE C[C@H]1O[C@@]2([C@@H](Cl)c3c(Br)sc(Br)c3Br)CC[C@H]1C2 2078506814 XXICRSQVUXZTFV-NUMBIYFWSA-N 479.459 6.273 50 10 JKGE FC(F)(F)c1c(Br)c(CBr)nn1-c1cc(C2CCCCC2)ccn1 2078912497 QAKABPHZIPJGIE-UHFFFAOYSA-N 467.127 5.991 50 10 JKGE Cc1cc([C@@H](Br)Cc2ncccc2Br)ccc1I 2086040245 WHMKZDWSLVTNAE-LBPRGKRZSA-N 480.969 5.436 50 10 JKGE Cc1ncsc1CC(CBr)(CBr)c1cccc(Br)c1 2096119186 CWDPELWSUHOMRN-UHFFFAOYSA-N 468.052 5.484 50 10 JKGE Clc1cc(Br)ccc1Oc1c(CBr)ccc(Br)c1Cl 2098116525 JBXYPKMLUGJTTE-UHFFFAOYSA-N 489.816 7.206 50 10 JKGE CC(C)CN1C[C@@H](Br)[C@@H](Cc2c(Br)cccc2Br)C1 2100722124 KIOYEIHFQYDSDE-XHDPSFHLSA-N 454.044 5.105 50 10 JKGE Cl[C@H](c1ccccc1C1CC1)c1c(Br)sc(Br)c1Br 2104109275 YSVNRSZYZUXTRT-GFCCVEGCSA-N 485.466 7.241 50 10 JKGE Clc1cccc(CC[C@@H](Br)c2ccc(Br)cc2)c1Br 2113486394 FESCHHDVFCMUNM-CYBMUJFWSA-N 467.426 6.934 50 10 JKGE C[C@@H]1CN(C(=O)c2cc(Br)sc2Br)CC[C@H]1CCBr 2115846378 ZYPFUYORNSINCR-RKDXNWHRSA-N 474.056 5.156 50 10 JKGE CO[C@H]1C[C@H]([C@H](Br)c2c(Br)sc(Br)c2Cl)C[C@H]1OC 2118287594 YWCBJHDJPQFQCO-LKHWLPBLSA-N 497.474 5.803 50 10 JKGE Brc1ccc(Br)c(C[C@@H]2C[C@H](Br)CC3(CCC3)C2)c1 2127185123 FJRUKZOKWQHPOL-RISCZKNCSA-N 451.040 6.488 50 10 JKGE CC(C)(C)OC(=O)N1CCC(CI)(O[C@@H]2CCC[C@@H]3CCCC[C@@H]32)CC1 2136421566 FWIXOVFYRVQJHU-OKZBNKHCSA-N 477.427 5.567 50 10 JKGE COc1cc(Br)c(C)cc1[C@@H](Br)c1ccc(Br)c(C)c1 2145960263 FNGDJZCADDCUMI-INIZCTEOSA-N 463.007 6.321 50 10 JKGE C[C@@H]1CCCN(C(=O)c2cccc(Br)c2Br)[C@H]1CCBr 2148751193 OMIKCYFPTOLRGC-MFKMUULPSA-N 468.027 5.237 50 10 JKGE CC1(C)Cc2cc([C@H](Br)c3csc(Br)c3Br)ccc2O1 2150341677 ISNXYAGIEPIMGT-LBPRGKRZSA-N 481.047 6.471 50 10 JKGE FC(F)(F)Oc1cccc([C@H](Br)c2sc(Cl)cc2Br)c1 2154475722 ONAKWRLWNNMWTK-JTQLQIEISA-N 450.501 6.547 50 10 JKGE Clc1cc([C@H](Br)c2cc3c(cc2Br)OCCO3)sc1Cl 2156049785 JCIKMCXLPJRMPG-GFCCVEGCSA-N 458.986 6.073 50 10 JKGE CN(C(=O)c1c(Br)cccc1Br)[C@@H]1CCCCC[C@H]1Br 2172543334 KFIVGBBUEHYHNW-ZWNOBZJWSA-N 468.027 5.380 50 10 JKGE CN(C(=O)c1ccc(Br)cc1Br)[C@@H]1CCCCC[C@H]1Br 2172546960 KFLIMVMFKQPFSK-TZMCWYRMSA-N 468.027 5.380 50 10 JKGE C[C@@H](c1cccs1)N(Cc1ccccc1)S(=O)(=O)c1ccc(CCBr)cc1 2179787259 MFHHAZOXAWXEMH-KRWDZBQOSA-N 464.450 5.638 50 10 JKGE O=S(=O)(c1cc(CBr)n(C2CC2)c1)N(Cc1ccccc1)CC1CCCC1 2179858867 VAMCDXDPFWEENT-UHFFFAOYSA-N 451.430 5.099 50 10 JKGE COc1cc(Cl)c([C@@H](Cl)c2ccc(F)cc2I)cc1Br 2202348566 ZMGAXCNMYXGSDZ-AWEZNQCLSA-N 489.937 6.183 50 10 JKGE Cc1ccc([C@H](Br)c2ccc(Br)s2)cc1I 2210198670 DFGMPVIPGKSJIY-LBPRGKRZSA-N 471.983 5.908 50 10 JKGE Cc1sc(Br)c(C)c1[C@@H](Cl)c1cc(Br)c(Br)s1 2213636342 KYBSHDDHUXKDBM-VIFPVBQESA-N 479.484 7.042 50 10 JKGE Clc1cc(Br)c([C@@H](Cl)c2sccc2Br)c(Cl)c1Cl 2217614211 VWDQRECRPJPJSO-SNVBAGLBSA-N 469.840 7.562 50 10 JKGE CC(C)(C)OC(=O)N1CCCC[C@H]1[C@@H]1CCCN(CCCCCI)C1 2220218051 SFACSSAIPQQYEZ-MSOLQXFVSA-N 464.432 5.093 50 10 JKGE Cc1cc(Br)c([C@@H](Br)[C@H](C)c2ccncc2Br)s1 2221822968 FNXAQWBJHDPGGW-PELKAZGASA-N 454.025 6.216 50 10 JKGE Cc1cc(Br)ccc1[C@H](Br)c1c(Br)cc(C)c(Cl)c1C 2232529275 LJPOJPKLYQKFIF-HNNXBMFYSA-N 481.453 7.275 50 10 JKGE Cc1cccc([C@H](Cl)c2c(F)cc(F)c(Br)c2F)c1I 2236102527 LEDZWFJJDZDSIK-LBPRGKRZSA-N 475.473 6.108 50 10 JKGE Cc1cc2c(cc1Cl)nc(CCCl)n2CC1(N(Cc2ccccc2)Cc2ccccc2)COC1 2236867885 MMTJIEFYGBNGCA-UHFFFAOYSA-N 494.466 6.251 50 10 JKGE C[C@](CI)(O[C@H]1CCCC(F)(F)C1)c1ccccc1Br 2238670809 BECVYKIMZYNMMQ-SMDDNHRTSA-N 459.112 5.694 50 10 JKGE Cc1cc(Br)c([C@@H](Br)c2cc(Br)co2)cc1Br 2249393144 LFAIFACZNVVXHC-GFCCVEGCSA-N 487.811 6.360 50 10 JKGE C[C@@H](c1ccncc1Br)[C@@H](Br)c1scc(Br)c1Cl 2253596257 ARJMLYWXVBWJFN-QUBYGPBYSA-N 474.443 6.561 50 10 JKGE CCc1cc([C@@H](Cl)c2cc(I)ccc2F)sc1Br 2255974538 OVBSYZICOUDKQX-LBPRGKRZSA-N 459.549 6.145 50 10 JKGE CCCC1CCC(CI)(OC2CCN(Cc3ccccc3)CC2)CC1 2259461931 DEEHLFURNFSQRH-UHFFFAOYSA-N 455.424 5.832 50 10 JKGE CCCC(CCC)[C@H](Br)c1c(F)cc(Br)c(F)c1Br 2272850013 PNDPNLJSIWZQKS-LBPRGKRZSA-N 462.998 7.142 50 10 JKGE CC1(C)CC(C)([C@@H](Br)c2c(F)cc(Br)c(F)c2Br)C1 2272854818 IGGMPQNTZPJVGB-LBPRGKRZSA-N 460.982 6.752 50 10 JKGE Cc1ccc([C@H](Cl)c2cc3sc(Br)cc3s2)cc1I 2278008109 OFRKDQNSHWQRHX-AWEZNQCLSA-N 483.621 6.967 50 10 JKGE Fc1cccc(I)c1[C@H](Cl)c1cc2sc(Br)cc2s1 2278098177 CJWIXHIABJDUPU-CYBMUJFWSA-N 487.584 6.797 50 10 JKGE Cc1cc(Br)c([C@H](Cl)c2cc(I)ccc2F)c(C)c1F 2279136881 IXVRWSPQTRSITJ-CQSZACIVSA-N 471.510 6.277 50 10 JKGE COc1cc(Br)c([C@H](Cl)c2ccc(Cl)c(I)c2)cc1C 2283586610 ZOKVQUGWRCKNFR-OAHLLOKOSA-N 485.974 6.352 50 10 JKGE COc1c([C@H](Br)c2scc(C(F)(F)F)c2Br)csc1Cl 2284306941 YFAFCDASPIOQMH-LURJTMIESA-N 470.557 6.737 50 10 JKGE COc1c([C@@H](Cl)c2csc(I)c2)cc(Br)c2c1CCC2 2284520247 VHHYJMLEEJYKIZ-AWEZNQCLSA-N 483.596 5.941 50 10 JKGE COc1ccc([C@@H](Br)C2(CC(F)(F)F)CCC2)cc1I 2285010717 OXOBCSMQJGKCEG-GFCCVEGCSA-N 463.075 5.859 50 10 JKGE O=C(Cl)C=Cc1cc(Cl)c(OCc2cccc(Br)c2)c(Br)c1 2293941158 OGVIMPPPQCIFCW-UHFFFAOYSA-N 464.968 6.223 50 10 JKGE N#CC(=CNc1ccc(Cl)cc1C(=O)c1ccccc1)c1nc(-c2ccc(Cl)cc2)cs1 2295956287 WAAWEWINERNGRO-UHFFFAOYSA-N 476.388 7.324 50 10 JKGE COc1ccc(C[C@@H]2SC(=C(C#N)C(=O)Nc3ccccc3)N(c3ccccc3C)C2=O)cc1 2296507229 YZWKCTZVEYVZMG-DEOSSOPVSA-N 469.566 5.069 50 10 JKGE Cc1ccc(NC(SCc2ccc(F)cc2)=C(C#N)S(=O)(=O)c2ccccc2)cc1Cl 2297350120 XGAYEEKIGSNISK-UHFFFAOYSA-N 472.994 6.299 50 10 JKGE Brc1cc(OCc2ccccc2)ccc1[C@@H](Br)[C@H]1CCC12CCC2 2299495879 RWYYQYNXPQPETA-UYAOXDASSA-N 450.214 7.044 50 10 JKGE Brc1ccc(OCc2ccccc2)c([C@H](Br)C2[C@@H]3CCCC[C@@H]23)c1 2299535613 RATHXYRKGINITF-LZJOCLMNSA-N 450.214 6.900 50 10 JKGE Brc1ccc(OCc2ccccc2)c([C@H](Br)[C@H]2[C@H]3OCCC[C@@H]32)c1 2299536497 ZBSJQMNJTKBSOF-TTYHFUOFSA-N 452.186 5.889 50 10 JKGE C[C@H](C(F)F)[C@H](Br)c1c(Cl)cc(Br)c(F)c1Br 2300174362 PMCOFRHHSXLIJC-NOWQDGDBSA-N 459.325 6.341 50 10 JKGE Cc1ccc(Cl)c([C@H](Br)c2sc(Cl)cc2I)c1 2300954507 YQZXQMFJHFLMHY-NSHDSACASA-N 461.977 6.452 50 10 JKGE Cc1ccc(S(=O)(=O)Oc2ccc(Cl)cc2C=C(C#N)C(=O)Nc2ccccc2C)cc1 2313540982 HSOCYGNSCHTQBF-UHFFFAOYSA-N 466.946 5.270 50 10 JKGE COc1ccc(NC(=O)C(C#N)=Cc2cc(Br)c(Sc3ccc(Cl)cc3)o2)cc1 2313562481 SXRWYZLFVBLNBR-UHFFFAOYSA-N 489.778 6.401 50 10 JKGE Cc1ccc(NC(=O)C(C#N)=Cc2cc(Cl)c(OCc3ccc(C(=O)O)cc3)c(Cl)c2)cc1 2313568036 OBZNOYJFTVEYIW-UHFFFAOYSA-N 481.335 6.125 50 10 JKGE CCOc1ccc(NC(=O)C(C#N)=Cc2ccc(OCc3cccc(F)c3)c(OCC)c2)cc1 2313676668 QHUSCFVDNFSGRP-UHFFFAOYSA-N 460.505 5.748 50 10 JKGE Cc1cc([C@H](Cl)c2ccc(OCc3ccccc3)cc2Br)ccc1Br 2314452775 QDQBFKAPFCHJMK-NRFANRHFSA-N 480.627 7.427 50 10 JKGE CC(C)C[C@H](C(C)C)[C@H](Br)c1cc(Br)ccc1OCc1ccccc1 2314455429 OSOGEWLSSLYDMH-KNQAVFIVSA-N 468.273 7.782 50 10 JKGE CC[C@H](C[C@@H](Br)c1cc(Br)ccc1OCc1ccccc1)C(C)(C)C 2314497916 OWAOEUUKBFSQJX-YLJYHZDGSA-N 468.273 7.927 50 10 JKGE Fc1cccc(C[C@H](Br)c2ccc(OCc3ccccc3)cc2Br)c1 2314501417 XLTDUETZLWGRIT-FQEVSTJZSA-N 464.172 6.846 50 10 JKGE COc1ccc(N2C(=O)[C@H](Cc3ccc(C)cc3)SC2=C(C#N)C(=O)N[C@H](C)c2ccccc2)cc1 2314592930 DRHOROZTFBNNQK-IBVKSMDESA-N 497.620 5.307 50 10 JKGE CC1=C(C#N)C(=O)N(C2CCCCC2)C(=O)C1=Cc1ccc(OCc2ccccc2Cl)cc1 2314617294 VMGRTWBLGSNZLI-UHFFFAOYSA-N 460.961 5.844 50 10 JKGE COc1ccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)C=Cc4ccccc4Cl)ccc32)cc1OC 2314634604 NHDLIJDKUNNDJX-SANMLTNESA-N 488.927 5.194 50 10 JKGE CCCCNC(=O)C(C#N)=Cc1ccc(OC(=O)COc2ccc(C(C)C)cc2Br)cc1 2314789532 BTICZDHTLMKPRN-UHFFFAOYSA-N 499.405 5.380 50 10 JKGE COc1ncc(Br)c(C)c1CN(Cc1ccccc1)[C@H](CBr)C1CC1 2319570959 GFPWUPOGMYQUPK-LJQANCHMSA-N 468.233 5.337 50 10 JKGE COc1cc(C=C(C#N)c2ccccc2)ccc1OC(=O)[C@@H](C)Oc1ccc(Cl)cc1Cl 2320506894 UFNAVPFXWACIJY-MRXNPFEDSA-N 468.336 6.439 50 10 JKGE CC(=NNC(=O)c1ccc(-c2ccc(Cl)c(Cl)c2)nc1C)c1ccc(OC(C)C)cc1 2321281116 JMMCKRRKLJZXDA-UHFFFAOYSA-N 456.373 6.305 50 10 JKGE C[C@H]1[C@@H](Br)C[C@@H](C)CN1Cc1ccc(I)c(Br)c1 2325212954 QXZZNMJCLUUNAY-SCVCMEIPSA-N 487.017 5.048 50 10 JKGE CCOc1ccc(CCNC=C(C#N)C(=O)Nc2ccc(Cl)c(C(F)(F)F)c2)cc1OCC 2325384834 YAZGZYFFIVWAKG-UHFFFAOYSA-N 481.902 5.334 50 10 JKGE CC(=Cc1ccccc1)C(=O)N[C@@H](CSCc1ccccc1)C(=O)Nc1ccc(SC#N)cc1 2330449094 YXMPVNQQMUKWHG-VWLOTQADSA-N 487.650 5.720 50 10 JKGE COc1ccc(-c2csc(C(C#N)=C(O)C=Cc3ccc(Cl)c(Cl)c3)n2)cc1OC 2331242429 BBDJGLGKHNFIBX-UHFFFAOYSA-N 459.354 6.640 50 10 JKGE CCCCc1ccc(N2C[C@H](C(O)=C(C#N)c3nc(-c4ccc(Cl)cc4)cs3)CC2=O)cc1 2331299355 XRDGLXBNHYRZKU-LJQANCHMSA-N 478.017 6.652 50 10 JKGE CC[C@@H](C)N1C(=O)c2ccc(C(O)=C(C#N)c3nc(-c4ccc(C(C)C)cc4)cs3)cc2C1=O 2331340799 RKWDHJGFEFZIOW-MRXNPFEDSA-N 471.582 6.278 50 10 JKGE COc1cc(OC)c(-c2csc(C(C#N)=C(O)COc3ccc(Cl)cc3Cl)n2)cc1Cl 2331378645 LWNXGJFQKLGMEI-UHFFFAOYSA-N 497.787 6.659 50 10 JKGE CCOc1ccc(-c2csc(C(C#N)=C(O)[C@H](C)N3C(=O)c4ccccc4C3=O)n2)c(OCC)c1 2331386517 HYTUVFVSFUTLEC-HNNXBMFYSA-N 489.553 5.085 50 10 JKGE CCc1cccc(C)c1N1C[C@@H](C(O)=C(C#N)c2nc(-c3ccc(OC)c(Cl)c3)cs2)CC1=O 2331398341 JMGIAZHBWFIROA-SFHVURJKSA-N 494.016 6.189 50 10 JKGE Cc1c(Br)ccc([C@@H](Br)[C@@H]2CC[C@H]2C(F)(F)F)c1Br 2333453848 QYSASINRNGOWPY-GMEUVTARSA-N 464.945 6.545 50 10 JKGE Cc1ccc(CBr)c(Oc2cc(Cl)c(C)cc2I)c1 2336560683 IKLCFVBTBLMTLX-UHFFFAOYSA-N 451.529 6.249 50 10 JKGE Clc1ccc(CN2CCC[C@@H](CCBr)CC2)cc1I 2337225620 NTQLQYQUYAJPOD-LBPRGKRZSA-N 456.593 5.332 50 10 JKGE CC(C)CO[C@@H]1[C@H](Br)C[C@H]1Oc1cc(Br)cc(Br)c1 2338758009 ONRVNMSGOOPSPN-MGPQQGTHSA-N 457.000 5.167 50 10 JKGE Clc1cc(I)c([C@@H](Br)[C@@H]2C[C@H]2C2CCCCCC2)s1 2338771383 RZVJVEGGOSXLBY-WDMOLILDSA-N 473.645 7.049 50 10 JKGE COc1c(Br)cc(C)c([C@H](Br)[C@@]2(C)CCCO2)c1Br 2339638577 CFXPSIAYWPKZKC-UONOGXRCSA-N 457.000 5.534 50 10 JKGE Cc1cc([C@@H](Br)c2ccc(Cl)cc2I)c(F)cc1F 2340062254 XJNHQMCONHEEPF-AWEZNQCLSA-N 457.483 6.016 50 10 JKGE Cc1cc(Cl)c(Cl)cc1[C@H](Br)c1ccc(Cl)cc1I 2340067914 HPELIABOMLTRAI-CQSZACIVSA-N 490.393 7.044 50 10 JKGE CC(C)[C@@H](Br)C(C)(C)CNC(=O)c1scc(Br)c1Br 2340433145 CEWWMYSFSLLXAH-LLVKDONJSA-N 476.072 5.449 50 10 JKGE Brc1cc2c(cc1[C@H](Br)c1sncc1Br)CCCO2 2343579718 DVJBNLINSNKBAF-LBPRGKRZSA-N 468.008 5.477 50 10 JKGE Cc1nc(OCc2ccc(I)c(Br)c2)ccc1CCl 2350074197 ZRKACOIHYSMVHG-UHFFFAOYSA-N 452.517 5.075 50 10 JKGE Cc1c(Br)ccc([C@H](Br)[C@H]2CC[C@@H]3[C@H](C2)C3(F)F)c1Br 2358114091 DCZBSMMJCVSPOO-WQURNTSKSA-N 472.993 6.637 50 10 JKGE Fc1cc(Cl)c(Br)c(Cl)c1[C@@H](Br)[C@H]1CCCCC1(F)F 2360424507 SXDALFKPBFXITI-LDWIPMOCSA-N 454.939 7.157 50 10 JKGE Fc1cc(Cl)c(Br)c(Cl)c1[C@H](Br)[C@@H]1COCCC1(F)F 2360484685 USTABQVMXHNZEV-SSDLBLMSSA-N 456.911 6.003 50 10 JKGE Cc1cc(C(F)(F)F)sc1[C@H](Cl)c1ccc(OCc2ccccc2)cc1Br 2361178728 QCIUHTWXVLYKTI-GOSISDBHSA-N 475.757 7.745 50 10 JKGE C[C@H](C1CCCCC1)[C@@H](Br)c1c(Cl)cc(Br)c(F)c1Br 2362222125 ALKLGQJGTZMEFZ-AMIZOPFISA-N 491.464 7.657 50 10 JKGE FC[C@]12C[C@]([C@@H](Cl)c3c(Cl)cc(Br)c(F)c3Br)(CO1)C2 2362240052 ZUWYBRZFGUGEAN-AVGNSLFASA-N 450.932 5.803 50 10 JKGE Fc1cc(CBr)c(N2CCCN(Cc3ccccc3)CCOCC2)cc1Cl 2362392885 XUWVJBASLYHQEL-UHFFFAOYSA-N 455.799 5.103 50 10 JKGE Cc1cc(Br)c(F)c(Br)c1[C@H](Cl)c1cccc(Br)c1C 2365187490 AUUGKYFKSNQJJP-CQSZACIVSA-N 485.416 7.058 50 10 JKGE CN(Cc1c(Br)cccc1Br)c1ncc(CCl)cc1Br 2366186554 GRIFJEMALBVBFV-UHFFFAOYSA-N 483.429 5.744 50 10 JKGE Clc1ccc(CN2CC[C@@H]3[C@H](Br)CCC[C@H]3C2)c(I)c1 2366704975 SIERTRSRAXPHRN-TUKIKUTGSA-N 468.604 5.330 50 10 JKGE CC(C)(F)[C@@](C)(F)CO[C@](C)(CI)c1ccccc1Br 2381513875 BPBFWUHXVHCKQM-CABCVRRESA-N 461.128 5.592 50 10 JKGE CSc1sc(C)cc1[C@@H]1C(C#N)=C(N)N(c2cc([N+](=O)[O-])ccc2Cl)C2=C1C(=O)CCC2 27550467 VIENRLWMPDHYBZ-LJQANCHMSA-N 487.006 5.645 50 10 JKGE Cc1ccc(NC(=O)/C(C#N)=C2/S[C@@H](Cc3cccc([N+](=O)[O-])c3)C(=O)N2c2ccc(C)cc2)cc1 33579297 ZQVIIXFXQRKCMZ-BSSRNLCFSA-N 498.564 5.277 50 10 JKGE C=CCc1cc(/C=C(/C#N)C(=O)OCC)cc(OC)c1OCc1ccc(Br)cc1 34737587 FIDWBJLUDPVRHH-UNOMPAQXSA-N 456.336 5.235 50 10 JKGE N#CC1=C(N)Oc2cc(OC(=O)Cc3ccc(Cl)cc3)ccc2[C@@H]1c1cccc(Br)c1 38651554 WWFJAFPIFRJKSO-QHCPKHFHSA-N 495.760 5.469 50 10 JKGE CCOc1cccc(C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@@H]3c2cccc(OCCC(C)C)c2)c1 38684701 SSADPSGYTIIXIL-MUUNZHRXSA-N 498.579 5.948 50 10 JKGE CCOc1ccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)[C@H](C)Oc4ccc(CC)cc4)ccc32)cc1 38685926 LFNHPKNAULDJNJ-MYUZEXMDSA-N 484.552 5.239 50 10 JKGE COC(=O)c1ccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4oc5ccc(F)cc5c4C)ccc32)cc1 38700917 HUDVTLKWIODPCP-DEOSSOPVSA-N 498.466 5.104 50 10 JKGE CCc1ccccc1NC(=S)NNC(=O)c1ccc(-c2ccc(Cl)c(C(F)(F)F)c2)o1 39892545 AEZQVLYLYXGBBI-UHFFFAOYSA-N 467.900 5.813 50 10 JKGE Cc1cc(OC(=O)c2oc3c(c2C)/C(=N/NC(=O)c2cccc([N+](=O)[O-])c2)CCC3)cc(C)c1Cl 40813092 UHZFUNFMERPMRZ-ZXVVBBHZSA-N 495.919 5.456 50 10 JKGE COc1ccc(C)cc1NC(=O)c1oc2c(c1C)/C(=N/NC(=O)c1ccc3ccccc3n1)CCC2 40825760 SCLHWXNMEOYJRN-AJBULDERSA-N 482.540 5.176 50 10 JKGE CCOc1ccc([C@H](O)CCC(=O)N/N=C\c2cc(C)n(-c3ccccc3Cl)c2C)cc1 58894531 PACPCNNYFZHLKG-YMCFUUGVSA-N 453.970 5.110 50 10 JKGE O=C(CCCNc1ccc(Cl)cc1)N/N=C/c1ccccc1OCc1ccccc1Cl 58986621 WMIMCYOBQINIRR-LQKURTRISA-N 456.373 5.915 50 10 JKGE COc1cc(/C=C(\C#N)C(=O)Nc2ccc(C)cc2C)ccc1OCc1ccc(Br)cc1 59201950 NKWKMGLFZWJTJI-FYJGNVAPSA-N 491.385 6.199 50 10 JKGE O=C(N/N=C/c1ccccc1OCc1ccc2ccccc2c1)c1cc2cc(Br)ccc2o1 59680253 LQXBFRZZDZLNHG-MUFRIFMGSA-N 499.364 6.691 50 10 JKGE Cc1ccc([C@H](C(=O)NC2CCC(C)CC2)N(CCc2ccc(Cl)cc2)C(=O)CCl)cc1 97914730 JXHCALTYTQNYAH-WVSXHZKHSA-N 475.460 5.695 50 10 JKGE O=C(NC1CCCCCC1)[C@@H](c1ccc(Cl)cc1)N(CCc1ccc(Cl)cc1)C(=O)CCl 97914852 FHQBDXZWNJHOFE-XMMPIXPASA-N 495.878 6.184 50 10 JKGE N#C/C(=C(/O)c1ccc(I)cc1)c1nc2cc(C(F)(F)F)ccc2s1 101018189 MKQABDFSILVIID-QINSGFPZSA-N 472.229 5.870 50 10 JKGE COc1ccc(CN2C(=O)C(C#N)=C(C)/C(=C\c3ccc(-c4cc(Cl)ccc4Cl)o3)C2=O)cc1 101340017 AOFYWPFDZGXWEB-UDWIEESQSA-N 493.346 6.054 50 10 JKGE CC(=O)c1cc2c(cc1N/C=C(/C#N)c1nc(-c3ccc(Br)cc3)cs1)OCO2 102416648 FIKSLTUERLUIGB-ZROIWOOFSA-N 468.332 5.480 50 10 JKGE CC[C@H](C)[C@@H](c1ccccc1)[C@H](Br)c1cc(Br)ccc1Br 109844526 CDEYTQOTXDKKGY-UYHISHBKSA-N 475.062 7.478 50 10 JKGE Brc1cc([C@@H](Br)c2sccc2Br)sc1Br 128261915 RZCJINXAVQOISD-SSDOTTSWSA-N 495.881 6.581 50 10 JKGE Cc1cc(C)c(C)c([C@H](Br)c2cc(Br)c(Br)s2)c1C 128862304 XRYSKLBYENNFSM-CQSZACIVSA-N 467.064 6.991 50 10 JKGE CCOc1cc(Cl)c([C@H](Br)c2ccccc2I)cc1Cl 164562502 XQLDMVIHJIFGPO-OAHLLOKOSA-N 485.974 6.481 50 10 JKGE CCN(Cc1ccccc1)c1ccc(/C=N\NC(=O)c2nc(-c3ccccc3)sc2C)cc1 169927089 YFGUPZTZLSHYFR-VEILYXNESA-N 454.599 5.909 50 10 JKGE Clc1ccc([C@H](Br)c2ccc(I)c(Cl)c2)cc1Cl 232343387 RPJNBVHGLBAUOL-ZDUSSCGKSA-N 476.366 6.736 50 10 JKGE Cl[C@@H](c1cc(I)ccc1Br)c1sccc1Br 236032505 PANUWKYKJPWEFG-JTQLQIEISA-N 492.401 6.206 50 10 JKGE CC(=NNC(=O)c1ccc(Cn2nc(C)c(Cl)c2C)o1)c1cccc(NC(=O)C2CCCC2)c1 252602941 FMPPSFLGQZWZPK-UHFFFAOYSA-N 481.984 5.077 50 10 JKGE CC(=NNC(=O)c1c(O)ccc2ccccc12)c1cccc(NC(=O)c2cccc(Cl)c2)c1 254310319 AHFAUSSYYWSVLR-UHFFFAOYSA-N 457.917 5.605 50 10 JKGE CCOc1ccc(-c2cc(C(=O)NN=C(C)c3ccc(Cl)s3)c3cc(C)ccc3n2)cc1 254515949 OTRTZOMCUJQJGR-UHFFFAOYSA-N 463.990 6.478 50 10 JKGE Cc1cc(SCC(=O)N(N=Cc2ccccc2)c2cccc(C(F)(F)F)c2)nc2ccccc12 254520505 PDDRAZVVSVSFOM-UHFFFAOYSA-N 479.527 6.721 50 10 JKGE COC(=O)[C@]1(C)CC[C@]2(C)CC[C@]3(C)C4=CC=C5C(=O)OC(=O)C=C5[C@]4(C)CC[C@]3(C)[C@@H]2C1 257375590 AFYNUVCDKLFCAU-SAWSSABUSA-N 452.591 5.455 50 10 JKGE C[C@H](CN(C)Cc1ccccc1)n1c(CCl)nc2cc(I)c(F)cc21 385587273 HHXQNPJKRIKLEU-CYBMUJFWSA-N 471.745 5.212 50 10 JKGE C[C@H](Cl)c1nc2cc(Cl)cnc2n1CCCN(Cc1ccccc1)Cc1ccccc1 390592045 SNQJYWSHZCEPEM-IBGZPJMESA-N 453.417 6.477 50 10 JKGE C[C@@H](Cl)c1nc2c(Br)cccc2n1CCCOCCOCc1ccccc1 390644327 NMYDSZGYKRIHBC-MRXNPFEDSA-N 451.792 5.722 50 10 JKGE CCc1nn(C)c2c1nc([C@@H](C)Cl)n2CC1(N(Cc2ccccc2)Cc2ccccc2)COC1 705604262 KTDAWNDPQKJHTK-HXUWFJFHSA-N 478.040 5.103 50 10 JKGE Clc1cccc(C[C@H](CBr)c2cccc(Br)c2)c1Br 719418566 CKOSXVBZNQXXHE-GFCCVEGCSA-N 467.426 6.586 50 10 JKGE CN(CC1CCN(Cc2ccccc2)CC1)c1ccc(CBr)c(Br)c1 720017177 SALIIJMIIFWMSR-UHFFFAOYSA-N 466.261 5.692 50 10 JKGE O=C(CC[C@H](O)c1ccccc1)NN=Cc1cc(Br)ccc1OCc1cccc(F)c1 725404710 MYZAEHGUWXGLKJ-QFIPXVFZSA-N 485.353 5.131 50 10 JKGE CCOc1ccc(NC(=O)/C(C#N)=C/c2ccc(OCc3cccc(C)c3)c(OCC)c2)cc1 1083880288 QNULCARUUXMOOE-XQNSMLJCSA-N 456.542 5.917 50 10 JKGE COc1cc(C=NNC(=O)CSc2nc3ccccc3s2)ccc1OCc1ccccc1Cl 1083978713 OTYHHGXLEBUTPT-UHFFFAOYSA-N 498.029 5.780 50 10 JKGE O=C(CCSc1ccc(Cl)cc1)NN=Cc1ccc(OCc2cccc3ccccc23)cc1 1084157542 PLZZFJIJOCNHNP-UHFFFAOYSA-N 475.013 6.705 50 10 JKGE Cc1ccc(NC(=O)/C(C#N)=C\c2cc(Cl)ccc2OCc2ccc(Br)cc2)cc1C 1084508888 NJGYIHRKSZCIJU-NDENLUEZSA-N 495.804 6.844 50 10 JKGE CCCCCOc1ccc([C@H]2CN(C(=O)OC(C)(C)C)C[C@@H]2CI)cc1 1614689366 YMZVYULJUMUPSU-PKOBYXMFSA-N 473.395 5.641 50 10 JKGE N#Cc1c(-c2ccccc2)c2ccc(OP(=O)(OCCCl)OCCCl)cc2oc1=O 1615944594 ROEPYWOBBOPQEZ-UHFFFAOYSA-N 468.229 5.329 50 10 JKGE Cc1c(C(=O)Nc2cc(Cl)ccc2Cl)oc2c1C(=NNC(=O)c1ccncc1)CCC2 1772745466 AWHPCBXKGVMBQR-UHFFFAOYSA-N 457.317 5.013 50 10 JKGE CCCc1nn(-c2ccc(Cl)c(Cl)c2)c2c1[C@@H](c1ccc(O)c(OCC)c1)C(C#N)=C(N)O2 1865681486 ORTUCYPJMKZUSK-NRFANRHFSA-N 485.371 5.454 50 10 JKGE N#CC1=C(N)Oc2c(c(-c3ccccc3)nn2Cc2ccccc2F)[C@@H]1c1cc(Cl)ccc1O 1865689334 QACOTDRPKCIBAK-JOCHJYFZSA-N 472.907 5.315 50 10 JKGE CCCCCOc1ccc([C@@H]2C(C#N)=C(N)Oc3c2c(-c2ccc(OC)cc2)nn3CC(C)C)cc1 1865694548 ZADBEWPVFVJJHM-RUZDIDTESA-N 486.616 6.002 50 10 JKGE CCCc1nn(-c2cccc(Cl)c2)c2c1[C@H](c1cc(Br)ccc1F)C(C#N)=C(N)O2 1865701705 CGBVVUYELHVBPQ-LJQANCHMSA-N 487.760 5.598 50 10 JKGE CCCn1nc(C)c2c1OC(N)=C(C#N)[C@@H]2c1ccc(OCc2ccc(Cl)cc2Cl)c(OC)c1 1865703827 GMMUYVSBXNOMAB-QHCPKHFHSA-N 499.398 5.714 50 10 JKGE CCCc1nn(-c2ccccc2Cl)c2c1[C@H](c1ccc(Cl)c([N+](=O)[O-])c1)C(C#N)=C(N)O2 1865706153 OZJBKOOGWMBRCB-LJQANCHMSA-N 470.316 5.258 50 10 JKGE CC[C@H](NC(=O)C[C@H](c1ccccc1)c1ccc(F)c(F)c1)C(=O)Nc1ccc(SC#N)cc1 1867132214 PWRRBAOIWLGDKB-QPPBQGQZSA-N 479.552 5.593 50 10 JKGE Cc1nc(Nc2ccc(SC#N)cc2)cc(N2CCN(CCCc3ccc(Cl)cc3)CC2)n1 1868480308 KKAZQWMUSSAGPW-UHFFFAOYSA-N 479.053 5.510 50 10 JKGE Cc1nc(Nc2ccc(SC#N)cc2)cc(N2CC(C)(C)c3ccccc3[C@H]2c2ccccc2)n1 1868480367 LWZZCUCTENTNSP-MUUNZHRXSA-N 477.637 6.989 50 10 JKGE COc1ccc(/C=C2\Oc3cc(OCc4cccc(CCl)c4)ccc3C2=O)c(OC)c1OC 1871437441 XTQOMVLMMGLJIV-FMCGGJTJSA-N 466.917 5.646 50 10 JKGE CCc1cccc(CC)c1N1C[C@H](/C(O)=C(\C#N)c2nc(-c3c(C)c(C)cc(C)c3C)cs2)CC1=O 1872754091 BXEYCZJCDGHDOS-DOKLPPSRSA-N 499.680 7.014 50 10 JKGE COc1ccc(-c2csc(/C(C#N)=C(\O)CCCCCNC(=O)c3ccccc3)n2)c(C)c1C 1872754221 IQAYXNVWZVNSSC-GYHWCHFESA-N 475.614 6.219 50 10 JKGE CCCOc1ccc(C/C(O)=C(\C#N)c2nc(-c3cc(C)c(Cl)cc3OC)cs2)cc1 1872755395 LIGUHMKLKZZHFQ-QOCHGBHMSA-N 454.979 6.605 50 10 JKGE COc1cc(C)c(-c2csc(/C(C#N)=C(\O)CCc3nc4ccccc4[nH]c3=O)n2)cc1C 1872758436 ZXVBDLLBPRNVSR-XLNRJJMWSA-N 458.543 5.098 50 10 JKGE COc1cc(/C=C(\C#N)c2nc(-c3ccccc3Cl)cs2)ccc1OCc1ccc(Cl)cc1 1872780757 KEYNJISOTXEIDE-XDHOZWIPSA-N 493.415 7.769 50 10 JKGE COc1ccc(-c2csc(/C(C#N)=C/c3cc(Br)ccc3F)n2)c2ccccc12 1872794931 DVSAXCMPXAILPN-XNTDXEJSSA-N 465.347 6.938 50 10 JKGE CC(C)(C)OC(=O)N1CC(N(Cc2ccccc2)C[C@@](C)(CBr)C(C)(C)C)C1 1893547077 QYLZYAJYOZXLIA-HSZRJFAPSA-N 453.465 5.555 50 10 JKGE Cc1nsc(Br)c1[C@H](Br)c1cc(Cl)c(Br)s1 1912971235 NADJLHMGYZPONX-SSDOTTSWSA-N 466.445 6.176 50 10 JKGE CC(C)[C@@H](CBr)N(Cc1ccccc1)S(=O)(=O)c1ccc(Br)cc1F 1915295636 LZJIBJGGCGGIKS-QGZVFWFLSA-N 493.236 5.199 50 10 JKGE Cc1c(Br)sc([C@H](Br)[C@@H]2CC[C@@H]3[C@H](C2)C3(F)F)c1Br 1922929616 KQRMUXUQZDXWDT-BDNRQGISSA-N 479.022 6.699 50 10 JKGE Brc1cc(Br)c([C@@H](Br)CC23CC4CC(CC(C4)C2)C3)s1 1922954076 KPQSYWYYCCRBBO-XZFICEMMSA-N 483.107 7.316 50 10 JKGE Fc1cc(Cl)cc([C@@H](Cl)c2c(Br)sc(Br)c2Cl)c1 1923065891 IQQXXDWKEYDAHD-MRVPVSSYSA-N 453.385 7.047 50 10 JKGE CC(C)CCN(CCBr)C(=O)c1cccc(Br)c1Br 1924442804 QXFHOAQVBMYKNA-UHFFFAOYSA-N 456.016 5.095 50 10 JKGE Cn1cc(Cl)c([C@H](Cl)c2c(Br)sc(Br)c2Br)n1 1924571620 SNAZANYIFYZPNY-ZCFIWIBFSA-N 483.838 5.751 50 10 JKGE C[C@@H]1COCC[C@@H]1[C@H](Cl)c1c(Br)sc(Br)c1Br 1924582739 AABQPAPXDROWOG-JHEQGTHGSA-N 467.448 5.988 50 10 JKGE C[C@H](c1ccccc1)[C@H](Cl)c1c(Br)sc(Br)c1Br 1924585355 KTMXEVRKUDNZLK-HQJQHLMTSA-N 473.455 7.119 50 10 JKGE Cc1ccc([C@@H](Cl)c2c(Br)sc(Br)c2Br)c(C)c1 1924586306 WEGHAGIFJOPJNJ-LLVKDONJSA-N 473.455 6.981 50 10 JKGE C[C@H]1COc2ccc([C@H](Br)c3cc(Br)ccc3Br)cc21 1925753349 GNMCMPYWSDKKOP-FVMDXXJSSA-N 460.991 6.192 50 10 JKGE CN(CCN(Cc1ccccc1)c1cccc(Br)c1CCl)Cc1ccccc1 1931968064 YSJJHDHFVUUAJN-UHFFFAOYSA-N 457.843 6.327 50 10 JKGE Cc1c(Br)ccc([C@H](Br)[C@H]2C[C@@H](Br)C2)c1Br 1994122102 IMTIGCOSWARJJQ-RGNHYFCHSA-N 475.844 6.130 50 10 JKGE C[C@]1(CCOCc2ccccc2)CCN1c1ccc(Br)cc1CBr 2020891587 VNGRQRDFLHHIOZ-HXUWFJFHSA-N 453.218 5.920 50 10 JKGE Cc1cc([C@@H](Cl)c2ccc(Br)cc2Br)c(Br)s1 2024280440 YSTVELOLNUSJCC-NSHDSACASA-N 459.428 6.672 50 10 JKGE CCc1cc(Br)c([C@H](Br)c2c(C)cccc2Br)s1 2029232800 MCISFVGHNSUZOD-CYBMUJFWSA-N 453.037 6.628 50 10 JKGE C[C@H](Br)C[C@@H]1CCCN1C(=O)c1csc(Br)c1Br 2032953849 RGNAHEPCWJDKFE-YUMQZZPRSA-N 460.029 5.051 50 10 JKGE Cc1nn(-c2ccccc2)c(Cl)c1C=C(C#N)c1nc(O)c2cc(Br)ccc2n1 2040469460 XASNEBVOMQSNGO-UHFFFAOYSA-N 466.726 5.310 50 10 JKGE FC(F)(F)c1ccc(Cn2nc3c(c2CBr)[C@H]2C[C@@H]2C3)cc1Br 2080537577 QVBCKNDTXDSBNH-ZJUUUORDSA-N 450.096 5.267 50 10 JKGE Fc1cc(Br)c([C@H](Br)c2cc(Br)sn2)c(F)c1Cl 2081848885 RJAWVACEYFTKSW-MRVPVSSYSA-N 482.369 6.084 50 10 JKGE CC[C@@H](C)c1ccc([C@H](Br)c2csc(Br)c2Br)cc1 2093941970 HGRMQAQVPULMEE-RNCFNFMXSA-N 467.064 7.271 50 10 JKGE Cc1cc([C@@H](Br)c2c(Br)cccc2Br)c(C)cc1F 2094094280 AAUWMUSIUKYCFA-OAHLLOKOSA-N 450.971 6.452 50 10 JKGE Fc1cc(Cl)c(Br)cc1[C@@H](Cl)c1ccc(I)c(Cl)c1 2097833218 AWCXYDIPFOLTKP-ZDUSSCGKSA-N 494.356 6.828 50 10 JKGE C[C@H]1CN(Cc2ccccc2)C[C@@H]1n1c(CCl)nc2cc(Br)c(Cl)cc21 2103624677 QQFDBENGYHQORX-DJJJIMSYSA-N 453.211 5.884 50 10 JKGE FC1(F)CCCCC[C@H]1[C@H](Br)c1cc(Br)ccc1Br 2108659472 VARWHICKHIVCSQ-WCQYABFASA-N 460.982 6.863 50 10 JKGE Fc1ccc([C@H](Br)CCc2cc(Cl)ccc2I)cc1 2113383826 HUCFFZVGOAIVDN-CQSZACIVSA-N 453.520 6.153 50 10 JKGE FC1(F)CC2(C1)C[C@]2(CBr)Cc1cc(Cl)ccc1I 2132886896 BVYBAFHYISDVCZ-LBPRGKRZSA-N 461.515 5.688 50 10 JKGE Cc1cc(Br)c(C)c([C@H](Br)c2ccccc2Cl)c1Br 2136378777 FYXCYAGTIGLAQB-OAHLLOKOSA-N 467.426 6.966 50 10 JKGE COc1c(Br)cc(C)cc1[C@H](Br)c1cc(Br)c(Cl)s1 2139002092 XNKSRVOUZVVLQN-NSHDSACASA-N 489.454 6.728 50 10 JKGE COc1c(C)cc(Br)cc1[C@@H](Cl)c1cc(Br)c(Br)s1 2141639851 OKZQIXRPAMRGIA-LLVKDONJSA-N 489.454 6.681 50 10 JKGE Cc1cc(Br)cc(CBr)c1OCc1nn(C)c(C)c1Br 2150236159 XXHFBFVFODJSGN-UHFFFAOYSA-N 466.999 5.036 50 10 JKGE Clc1ccc(I)c(CN2CCC3(CCC3)[C@H](CBr)C2)c1 2151650196 FHUGLJWAMZIAGJ-CYBMUJFWSA-N 468.604 5.332 50 10 JKGE CCCC(CBr)(CCC)CN1C[C@@H](CC)N(C(=O)OCc2ccccc2)C[C@@H]1CC 2162985330 HIZIEWPFJTTYQR-XZOQPEGZSA-N 481.519 6.480 50 10 JKGE Clc1c(Br)sc(Br)c1[C@H](Cl)[C@@H]1C[C@@H]2CCCCCC[C@H]21 2166117500 FHXFKUIACALXPK-BTQIBKBOSA-N 461.090 7.813 50 10 JKGE COc1cc(Cl)c([C@@H](Br)c2nn(C)c(Cl)c2Br)cc1Cl 2167049520 XBNLZWVWJMCHNW-SECBINFHSA-N 463.384 5.636 50 10 JKGE FC(F)(F)C1([C@H](Cl)c2c(Br)sc(Br)c2Cl)CCCCC1 2173212278 JRAUHDMUTXXHRR-MRVPVSSYSA-N 474.995 7.719 50 10 JKGE C[C@]12CO[C@](CC(CBr)(CBr)c3ccc(Br)cc3)(C1)C2 2194246417 FATLLCCBVUEZRQ-FZNQNYSPSA-N 467.039 5.436 50 10 JKGE O=C(N[C@@H](CBr)[C@@H]1CC=CCC1)c1cc(Br)cc(Br)c1 2196157716 SIKXYYAIVTUSCN-YGRLFVJLSA-N 466.011 5.061 50 10 JKGE CC(C)(C)c1cccc([C@@H](Br)c2ccc(Br)cc2Br)c1 2203688445 UHNMCZXZAFAOPV-MRXNPFEDSA-N 461.035 6.993 50 10 JKGE Cc1c(Br)ccc([C@H](Br)c2cc(F)c(F)cc2Cl)c1Br 2203707117 UVALPLXXFAGFGR-AWEZNQCLSA-N 489.379 6.936 50 10 JKGE Brc1cccc(Br)c1CN1CC[C@@H]2CC[C@@H](Br)C[C@H]2C1 2204116433 QCHOHGBDDJCCIJ-RWMBFGLXSA-N 466.055 5.597 50 10 JKGE Fc1ccc(Br)c(COc2c(CBr)ccc(Br)c2Cl)c1 2206269891 VPEIXQNSHMOQPR-UHFFFAOYSA-N 487.388 6.478 50 10 JKGE FC(F)(F)[C@@H]1CC[C@H]1[C@@H](Br)c1ccc(Br)cc1Br 2217676679 SJRREZLEISCMIQ-BCMRRPTOSA-N 450.918 6.236 50 10 JKGE CCOCc1cc(Br)c([C@H](Br)c2cc(Br)cs2)s1 2217983547 OJUAOFSMBBSVLY-LLVKDONJSA-N 475.065 6.355 50 10 JKGE CCCC[C@H](CC)[C@H](Br)c1c(Br)cc(Cl)c(Cl)c1Cl 2224303259 UZXYKCALDIDQQM-UFBFGSQYSA-N 451.457 8.062 50 10 JKGE Fc1cc(Br)c(Br)cc1[C@@H](Br)[C@@H]1C(F)(F)C12CCC2 2225615126 CXPGFWDRXDPDLX-MNOVXSKESA-N 462.929 6.222 50 10 JKGE Fc1cc(F)c([C@@H](Br)c2ccc(Br)cc2)c(F)c1Br 2227806157 HNDZRZJONHAVJJ-NSHDSACASA-N 458.897 6.113 50 10 JKGE Cc1c(Br)cccc1[C@@H](Br)Cc1ccc(Br)cc1Cl 2229150683 KLGFQQLVHVUYOZ-AWEZNQCLSA-N 467.426 6.852 50 10 JKGE Cc1cc(Br)c([C@H](Cl)c2ccc(Br)cc2Cl)c(C)c1Cl 2232531131 YGYZPWMJXXKZGP-OAHLLOKOSA-N 457.420 7.463 50 10 JKGE CC[C@]12CO[C@]([C@H](Br)c3c(Br)cc(C)c(Br)c3C)(C1)C2 2235609313 BMDKJGUJIIOUCT-OAGGEKHMSA-N 467.039 6.224 50 10 JKGE CC1([C@@H](Cl)c2c(Br)sc(Br)c2Cl)CC2(CC(F)(F)C2)C1 2238845272 UWJQKTDZFLDOPP-QMMMGPOBSA-N 469.016 7.422 50 10 JKGE C[C@@H](Br)CN(C(=O)c1cc(Br)sc1Br)C1CCC1 2259750911 YQXJSLXVUDHAAK-SSDOTTSWSA-N 460.029 5.051 50 10 JKGE CC[C@H](Br)c1nnc(Cc2cc(Br)cc(Br)c2)s1 2263515921 VAWQHEYGNWMCCZ-JTQLQIEISA-N 455.013 5.500 50 10 JKGE CN(Cc1ccc(I)cc1)c1ccc(CBr)c(Cl)c1 2265603350 GKRRAJGCLOIPPC-UHFFFAOYSA-N 450.545 5.476 50 10 JKGE COc1cc(C)c(Br)c(C)c1[C@H](Br)c1occc1Br 2269621364 MCOCKYRYRDROSQ-ZDUSSCGKSA-N 452.968 5.914 50 10 JKGE Clc1ccc(I)c([C@@H](Br)c2ccc(C3CCC3)s2)c1 2271972685 IQVDCCSIKDLBED-OAHLLOKOSA-N 467.597 6.758 50 10 JKGE Fc1cc(Br)c(F)c(Br)c1[C@H](Br)C[C@@H]1C[C@H]2C[C@H]2C1 2272723607 ZXYLIQBQHLUBPK-BZNPZCIMSA-N 458.966 6.362 50 10 JKGE CN(Cc1ccccc1I)c1cc(F)cc(F)c1CBr 2280271108 QOFJXNHGCCIPAD-UHFFFAOYSA-N 452.080 5.101 50 10 JKGE CC1(C)C[C@H](Br)C[C@@H](NC(=O)c2ccc(Cl)c(I)c2)C1 2283669900 QOKVZZNXXBUNCZ-GHMZBOCLSA-N 470.576 5.017 50 10 JKGE COc1ccc([C@@H](Br)c2c(Br)cccc2Br)c(C)c1C 2284592534 DDOLZNPQYASBOR-MRXNPFEDSA-N 463.007 6.321 50 10 JKGE Cc1cc(Br)c([C@H](Br)[C@H]2CCC[C@H]2C(F)F)c(C)c1Br 2285685837 XOMOIBPWVIEAOG-IMSIIYSGSA-N 475.009 6.946 50 10 JKGE C[C@H](Br)CN(CC(C)(C)C)C(=O)c1cc(Br)cc(Br)c1 2288059425 LAUAARYXIPWPDF-JTQLQIEISA-N 470.043 5.483 50 10 JKGE Fc1ccc(Cl)c([C@H](Br)c2c(F)cc(Br)c(F)c2Br)c1 2288349414 PIKGYSRTQJQJAX-NSHDSACASA-N 493.342 6.767 50 10 JKGE O=C(NN=CC=Cc1ccccc1)c1cc(-c2ccc(OCc3ccc(Cl)cc3)cc2)[nH]n1 2293740363 QFRWJRDMXXIXDM-UHFFFAOYSA-N 456.933 5.738 50 10 JKGE COC(=O)c1cc(Br)ccc1-c1ccc(C=C(C#N)c2nc3ccc(C)cc3[nH]2)o1 2293771886 MGTHGCDLHPVFLW-UHFFFAOYSA-N 462.303 5.745 50 10 JKGE N#CC(=Cc1ccc(-c2ccc(C(=O)O)c(Cl)c2)o1)C(=O)Nc1ccc(Br)cc1 2294171818 AUMBGSOKKXRNCS-UHFFFAOYSA-N 471.694 5.606 50 10 JKGE CCOc1cc(C=C(C#N)C(=O)Nc2ccccc2C)ccc1OCCOc1cccc2ccccc12 2295172669 VQMFSHUFFMOSRO-UHFFFAOYSA-N 492.575 6.550 50 10 JKGE COc1ccc(C(=O)Oc2cccc(C=C(C#N)C(=O)Nc3cc(Cl)cc(Cl)c3)c2)cc1 2295459697 OQKFBPQYMAUASW-UHFFFAOYSA-N 467.308 5.767 50 10 JKGE CCCCCOc1ccc(C=C(C#N)C(=O)Nc2sc3c(c2C(=O)OC)CCCC3)cc1 2296495448 JOHLWDGMDFVJHJ-UHFFFAOYSA-N 452.576 5.528 50 10 JKGE N#CC(=CNc1ccc(Cl)cc1C(F)(F)F)c1nc(-c2ccc(Br)cc2)cs1 2296764779 SKGGQZBCUVBPCE-UHFFFAOYSA-N 484.728 7.221 50 10 JKGE COc1cc(C=C(C#N)C(=O)Nc2cccc3ncccc23)ccc1OCc1ccccc1Cl 2297488377 VRPPXCKCQBZIOH-UHFFFAOYSA-N 469.928 6.021 50 10 JKGE COc1cc(C=C(C#N)c2ccc(Cl)cc2Cl)ccc1OCc1ccc(Cl)cc1Cl 2297576853 KDPVDPIILGSAGZ-UHFFFAOYSA-N 479.190 7.952 50 10 JKGE C[C@]1([C@H](Br)c2cc(Br)ccc2OCc2ccccc2)CCCOC1 2299491792 ASGBLHNTLUPIOU-UXHICEINSA-N 454.202 6.281 50 10 JKGE COc1cc(C=C(C#N)C(=O)Nc2cccc(Cl)c2Cl)ccc1OCc1ccccc1 2313570624 BIHPSMQKMRSWEX-UHFFFAOYSA-N 453.325 6.127 50 10 JKGE Cc1ccc(NC(=O)C(C#N)=Cc2cc(Br)ccc2OCc2ccccc2)c(C)c1 2313667123 GBSJLBJTUQVAJH-UHFFFAOYSA-N 461.359 6.191 50 10 JKGE CCCCNC(=O)C(C#N)=Cc1ccc(OC(=O)CCCOc2cc(C)c(Cl)c(C)c2)cc1 2314785582 BOYZBYMBNLWEES-UHFFFAOYSA-N 468.981 5.545 50 10 JKGE Fc1ccsc1[C@H](Br)c1c(Cl)cc(Br)c(F)c1Br 2315459734 YPAXBZQKIFFLAP-SECBINFHSA-N 481.381 6.689 50 10 JKGE Fc1c(Br)cc(Cl)c([C@@H](Br)C23CC(CO2)C3)c1Br 2315461431 AZMWXEJFTDBHGK-RVUVVNSJSA-N 463.366 5.619 50 10 JKGE COCCC(=O)NN=Cc1cn(-c2ccccc2)nc1-c1ccc(OCc2ccc(Cl)cc2)cc1 2321706239 ZQLFDPBWSZJLGF-UHFFFAOYSA-N 488.975 5.258 50 10 JKGE CC(=O)c1cccc(NC(=O)C(C#N)=CNc2ccc(-c3nc4ccc(C)cc4s3)cc2)c1 2325330261 SEGVMTRHVXDYQH-UHFFFAOYSA-N 452.539 5.932 50 10 JKGE Cc1cc(I)ccc1NC(=O)C(C#N)=CNc1cccc(Cl)c1Cl 2325405908 PFTKQUREOMMFGE-UHFFFAOYSA-N 472.113 5.365 50 10 JKGE COC(=O)c1ccc2c(O)nc(C(C#N)=Cc3ccc(OCc4ccc(Cl)cc4)cc3)nc2c1 2331046346 IBPDENXVQSZTBK-UHFFFAOYSA-N 471.900 5.419 50 10 JKGE CCOC(=O)c1ccc(N2C[C@H](C(O)=C(C#N)c3nc(-c4c[nH]c5ccccc45)cs3)CC2=O)cc1 2331347155 ZQLAVSZZEWULJU-QGZVFWFLSA-N 498.564 5.314 50 10 JKGE COc1cc(C=CC(O)=C(C#N)c2nc(-c3ccc(OC)c(C)c3C)cs2)ccc1OC(C)=O 2331362253 OFZPECSIOSCTSA-UHFFFAOYSA-N 476.554 5.876 50 10 JKGE COc1cc(Br)cc(C=C(C#N)c2nc(-c3ccc(Cl)cc3Cl)cs2)c1O 2331425210 WQOAGDYDZWKDBJ-UHFFFAOYSA-N 482.186 6.658 50 10 JKGE COc1ccc(-c2csc(C(C#N)=Cc3ccc(OC(=O)c4ccccc4)c(OC)c3)n2)cc1C 2331429764 ZZDPIYVWFBSASZ-UHFFFAOYSA-N 482.561 6.419 50 10 JKGE CCCN(CCC)C(=O)COc1ccc(C=C(C#N)c2nc(-c3ccccc3)cs2)cc1OC 2331440472 XBJUEGBHFODQBV-UHFFFAOYSA-N 475.614 5.910 50 10 JKGE COc1ccc([C@@H](Br)c2cc(Br)ccc2OCc2ccccc2)cc1C 2336054758 UUXRGTBRDUPRNO-JOCHJYFZSA-N 476.208 6.829 50 10 JKGE CCCc1sc(Br)cc1[C@@H](Br)c1ccc(C)c(Br)c1 2338023508 IFZKRMSKTRZIOQ-HNNXBMFYSA-N 467.064 7.018 50 10 JKGE Fc1cc([C@H](Cl)c2ccc(Cl)cc2I)c(F)cc1Br 2340062644 BRKPZPRQRJCRCG-CYBMUJFWSA-N 477.901 6.314 50 10 JKGE BrC[C@@H]1CCN(Cc2ccc(I)c(Br)c2)C12CCC2 2349850502 ARFZNELSMXCMOO-LBPRGKRZSA-N 499.028 5.193 50 10 JKGE Fc1c(Br)cc(Cl)c([C@H](Br)C[C@H]2CCCOCC2)c1Br 2362246665 CETNKHWWJCCSGP-DTWKUNHWSA-N 493.436 6.647 50 10 JKGE Brc1cc(Br)cc(O[C@@H]2C[C@H](Br)[C@]23CCCC32CC2)c1 2364103407 JDPUXALNSXWSQW-SQWLQELKSA-N 465.023 6.077 50 10 JKGE COc1c(Br)cc(C)c([C@H](Br)C2(C)CCOCC2)c1Br 2365193484 IMZCSMCZZRIJAZ-AWEZNQCLSA-N 471.027 5.781 50 10 JKGE Cc1cc(Br)c(F)c(Br)c1[C@@H](Br)[C@@H]1CCC[C@H]1C(C)C 2365226271 SHTJZFPUYIRQAI-WDMOLILDSA-N 471.046 7.167 50 10 JKGE Brc1ccccc1[C@H](CI)OCC1CCCCCCC1 2368657229 WLOQEMGXPIFCJS-KRWDZBQOSA-N 451.186 6.302 50 10 JKGE FC(F)(F)CC1CCC([C@@H](Cl)c2sc(Br)cc2Br)CC1 2381953723 HYRXJWWRTJTPNY-OIAXGBPSSA-N 454.577 7.312 50 10 JKGE C[C@H](Oc1ccc(C(C)(C)C)cc1)C(=O)NNC(=O)CCCOc1ccc(Cl)cc1Cl 14665794 DXEZTYXQKZROSA-HNNXBMFYSA-N 467.393 5.065 50 10 JKGE CCCOc1ccc(/C=C(/C#N)C(=O)Nc2sc(C)c(-c3ccccc3)c2C(=O)OCC)cc1 33595981 UZBFJBCCAQIUSS-PGMHBOJBSA-N 474.582 6.235 50 10 JKGE C=CCOc1ccc(-c2nn(-c3ccccc3)cc2/C=C(/C#N)c2nc(O)c3ccccc3n2)c(C)c1 34988470 VZECTIYDEGTJHA-FXBPSFAMSA-N 485.547 6.126 50 10 JKGE N#C/C(=C\c1ccc(-c2ccccc2)o1)c1nc(-c2cc3c(ccc4ccccc43)oc2=O)cs1 35518096 DLNVWMOJTJWZDJ-XSFVSMFZSA-N 472.525 7.394 50 10 JKGE CC1=C(C#N)C(=O)N(CCc2ccccc2)C(=O)/C1=C\c1ccc(-c2ccc(Br)cc2)o1 38607525 KDPDFLCNNYQNOT-JCMHNJIXSA-N 487.353 5.544 50 10 JKGE CCCCOc1ccc(C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@H]3c2ccc([N+](=O)[O-])cc2)cc1 38654749 QUUGTAQSBRLFLR-VWLOTQADSA-N 485.496 5.211 50 10 JKGE C=CCOc1ccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4cccc(OCCCC)c4)ccc32)cc1 38658220 HLPPXYJTBOCCAR-NDEPHWFRSA-N 496.563 5.868 50 10 JKGE Cc1c(C(=O)N2c3ccc(F)cc3CC[C@H]2C)oc2c1/C(=N/NC(=O)c1ccc(F)cc1)CCC2 40811881 OTJPQVDZXJXSER-FQRZLYOMSA-N 477.511 5.318 50 10 JKGE CCCc1ccc(OCC(=O)N/N=C/c2ccc(OCc3ccc(Cl)cc3)c(OC)c2)cc1 40846875 JTDHHCOMKCCEIR-LQKURTRISA-N 466.965 5.409 50 10 JKGE C=CCc1cc(/C=N\NC(=O)CC[C@@H](O)c2ccccc2)cc(OCC)c1OCc1cccc(C)c1 58892253 CEXZIHAMMDXWDZ-CMKSJBIWSA-N 486.612 5.665 50 10 JKGE COc1ccc(/C=N/NC(=O)CSc2c(Cl)c(Cl)c(Cl)c(Cl)c2Cl)cc1O 59147233 IXLAYLOOKWMPNI-RREIPUBJSA-N 488.607 5.910 50 10 JKGE COc1cc(/C=C(/C#N)C(=O)N2CCCCCC2)c(Br)cc1OCc1ccccc1 59220641 RWRKKRMMXJCYRB-MOSHPQCFSA-N 469.379 5.346 50 10 JKGE CCCCOc1ccc([C@H](C(=O)NC2CCCCC2)N(Cc2cccs2)C(=O)CCl)cc1 97915106 XUMWRSJMKDAXLG-XMMPIXPASA-N 477.070 5.685 50 10 JKGE N#C/C(=C/C=C\c1ccccc1)c1nc(-c2cccs2)c(NC(=O)c2ccc(Cl)cc2)s1 102620500 UNLWQLZXUGFSHE-VJGJLOMYSA-N 474.010 7.398 50 10 JKGE CCOC(=O)c1c(-c2ccc(OC)cc2)csc1NC(=O)/C(C#N)=C\c1ccccc1Cl 102665389 BQKQLHVLPUSRBJ-ATVHPVEESA-N 466.946 5.799 50 10 JKGE COc1ccc2[nH]c3c(c2c1)CCN(C(=O)C(Cl)Cl)[C@H]3c1cccc(C(F)(F)F)c1 103041426 APHHDMBVBVWYCX-SFHVURJKSA-N 457.279 5.473 50 10 JKGE CCCCCC[C@@H](C)O[C@@](C)(CI)c1ccccc1Br 162182648 PGJNOBGALQHIQH-PBHICJAKSA-N 453.202 6.475 50 10 JKGE CC[C@@H](C)N1C(=O)C(C#N)=C(C)/C(=C/c2cn(-c3ccccc3)nc2-c2cc3ccccc3o2)C1=O 214260900 KXIWHPAHSMIGBQ-NLKUQUHMSA-N 476.536 5.676 50 10 JKGE CCOc1cc(/C=C2\C(=O)N([C@@H](C)c3ccccc3)C(=O)C(C#N)=C2C)ccc1OCc1ccccc1 214343264 GKCNMQAWUGFMOW-XIIPJFCMSA-N 492.575 6.018 50 10 JKGE Cc1sc([C@@H](Br)c2ccc3cc(Br)ccc3c2)cc1Br 227836757 WBMSMRLSLIFACG-INIZCTEOSA-N 475.043 7.219 50 10 JKGE Fc1cccc(Br)c1[C@H](Br)c1cc(Br)c(Cl)s1 227847683 ACBKTJFFLFFLNS-SNVBAGLBSA-N 463.391 6.550 50 10 JKGE COc1cc(Cl)c([C@H](Br)c2cccc(Br)c2Cl)cc1Cl 228454387 ZPZHVTBSAYGTPD-CYBMUJFWSA-N 459.392 6.902 50 10 JKGE COc1c(C)cc(Br)c(C)c1[C@H](Cl)c1cccc(Br)c1Cl 228454468 FYESTQFBEUUIGB-OAHLLOKOSA-N 453.001 6.819 50 10 JKGE Clc1cc(Br)cc([C@@H](Cl)c2cc(Br)sc2Br)c1 236038871 UFSAGIKSEGKTNN-SNVBAGLBSA-N 479.846 7.017 50 10 JKGE O=C(NN=C/C=C/c1ccccc1[N+](=O)[O-])c1ccc(N/N=C/C=C/c2ccccc2[N+](=O)[O-])cc1 245266568 KCZGNBGUQIFWTD-DGDSRUPESA-N 484.472 5.043 50 10 JKGE Cc1cccc(C(=O)NN=Cc2cc(Br)ccc2OC(=O)/C=C\c2ccccc2)c1 252637843 XXIPYJMRYOMKSF-KUZXXTTRSA-N 463.331 5.140 50 10 JKGE C[C@@H]1CCCC(=NNC(=O)c2cccc(S(=O)(=O)Nc3cc(Cl)ccc3Cl)c2)C1 254567495 WKWZJTFCPXXFOU-CYBMUJFWSA-N 454.379 5.090 50 10 JKGE COc1ccccc1/C=C\C=NNC(=O)CSc1nnc(-c2ccccc2)n1-c1ccc(C)cc1 254710591 PCDNXOAQPZFSCH-FQJFPRNKSA-N 483.597 5.159 50 10 JKGE CCCCN(CC)C[C@@H](C(C)=NNC(=O)OC)[C@H](c1ccccc1)c1c(O)c2ccccc2oc1=O 254738222 NFSLTZOYMBCKMZ-UPVQGACJSA-N 493.604 5.101 50 10 JKGE O=C(CCn1c2c(c3ccccc31)CCCC2)NN=Cc1ccc(N(CCCl)CCCl)cc1 254869583 NOKYJMXBACHFIR-UHFFFAOYSA-N 485.459 5.345 50 10 JKGE O=C1OC(=O)[C@@H]2[C@H]3C[C@@H]([C@@H]4Sc5[nH]c(=S)sc5[C@H](c5cccc(Oc6ccccc6)c5)[C@@H]43)[C@H]12 256027160 UKYMDXXFOWNVFX-QEXSQPQCSA-N 493.631 5.786 50 10 JKGE 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 257683068 YLQIANWVVVMWMO-MDSSUQRBSA-N 482.661 6.123 50 10 JKGE biogenic Fc1cc2c(cc1I)nc(CCCl)n2[C@@H]1CCN(Cc2ccccc2)C1 312019234 VVOOMHXDENAQFB-OAHLLOKOSA-N 483.756 5.008 50 10 JKGE Cc1ccc([C@@H]2CN(C(=O)OCc3ccccc3)C[C@H]2CCl)cc1I 382702911 PWJRXYQQOJYTGD-MSOLQXFVSA-N 469.750 5.191 50 10 JKGE C[C@H]1CN(c2cc(Br)ccc2CBr)[C@H](C)[C@@H](C)N1Cc1ccccc1 404271400 KXIPKIMWQXVVHT-GVDBMIGSSA-N 466.261 5.832 50 10 JKGE CC(C)(C)[Si](C)(C)OCc1ccc([C@@H]2CCCN(S(=O)(=O)c3ccccc3)CC2)cc1 616629165 QWQVLNBIPXMGDZ-JOCHJYFZSA-N 459.728 6.167 50 10 JKGE c1ccc(P(c2cccc3c2oc2ccccc23)c2cccc3c2sc2ccccc23)cc1 642814218 QKJAGPAKUISYLE-UHFFFAOYSA-N 458.522 7.712 50 10 JKGE Cc1nc(C)c(CC(CBr)(CBr)c2ccccc2Br)s1 692041443 QWYYOOAGNQSQLA-UHFFFAOYSA-N 482.079 5.793 50 10 JKGE Cc1cc([C@@H](Br)c2scc(Br)c2Br)c(Cl)cc1F 705439067 OLWHRODIHCEJKZ-SNVBAGLBSA-N 477.418 6.858 50 10 JKGE CCOc1cc(C=NNC(=O)[C@H](C)Sc2ccc(Cl)cc2)ccc1OCc1ccccc1 1084073718 SOFANBPRHZZGIR-SFHVURJKSA-N 469.006 5.949 50 10 JKGE Cc1ccc(NC(=O)COc2ccc(C=NNC(=O)[C@@H](C)Sc3ccc(Cl)cc3)cc2)cc1 1084193328 JGOZCABOPIAXFW-GOSISDBHSA-N 482.005 5.297 50 10 JKGE Cc1ccc(C(=O)O)cc1-n1c(C)cc(C=NNC(=O)c2cc3cc(Br)ccc3o2)c1C 1084209080 JWARTBJLDJMITD-UHFFFAOYSA-N 494.345 5.373 50 10 JKGE Cc1ccc(NC(=O)/C(C#N)=C/c2cc(C)n(-c3ccc(OCc4ccc(Cl)cc4)cc3)c2C)cc1 1084384518 ZJIBMBYCOPBSGB-KOEQRZSOSA-N 496.010 7.181 50 10 JKGE Cc1ccc(C(CSc2nc3ccccc3s2)=NNC(=O)c2cccc(Cl)c2)c(C)c1 1084459150 YBJBTBXQJVGQME-UHFFFAOYSA-N 466.031 6.493 50 10 JKGE CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(C)cc2)cc(Br)c1OCc1ccccc1 1084609273 ZQFKFGPOLBRKCU-FYJGNVAPSA-N 491.385 6.281 50 10 JKGE C=CCn1cc(C=NNC(=O)c2ccc(-n3c(C)ccc3-c3ccccc3)cc2)c2ccccc21 1084653887 ASHMXQXUAUFYGM-UHFFFAOYSA-N 458.565 6.357 50 10 JKGE O=C(CCCc1ccc(Cl)cc1)N/N=C1\C(=O)N(Cc2ccccc2Cl)c2ccccc21 1860823165 VQNMQTWTYXQRLM-OLFWJLLRSA-N 466.368 5.383 50 10 JKGE N#CC1=C(N)Oc2c(c(C(F)(F)F)nn2Cc2ccccc2Cl)[C@H]1c1ccc(Cl)cc1 1865683326 IWWPPNJVTCZBOU-INIZCTEOSA-N 465.262 5.475 50 10 JKGE N#CC1=C(N)Oc2c(c(-c3ccccc3)nn2Cc2ccc(F)cc2)[C@H]1c1c(F)cccc1Cl 1865686704 ZQBJROZOMPXPQG-OAQYLSRUSA-N 474.898 5.748 50 10 JKGE CCCOc1ccc([C@@H]2C(C#N)=C(N)Oc3c2c(C)nn3Cc2cccc(Cl)c2)cc1OCC 1865688365 QLAFNYXLPRJWMD-XMMPIXPASA-N 478.980 5.299 50 10 JKGE CCOc1ccc([C@H]2C(C#N)=C(N)Oc3c2c(C)nn3Cc2c(F)cccc2Cl)cc1OCC 1865688799 BBZJVIZDHMCRDX-QHCPKHFHSA-N 482.943 5.048 50 10 JKGE CCCc1nn(Cc2cccc(F)c2)c2c1[C@@H](c1ccc(OC(C)C)c(OC)c1)C(C#N)=C(N)O2 1865696218 CTLBVOXCVUMPQD-DEOSSOPVSA-N 476.552 5.037 50 10 JKGE CCCc1nn(Cc2c(F)cccc2Cl)c2c1[C@H](c1cn(C)c3ccccc13)C(C#N)=C(N)O2 1865698777 CLDGKBKABMEQBO-QHCPKHFHSA-N 475.955 5.386 50 10 JKGE COc1ccc(-c2nn(-c3ccccc3Cl)c3c2[C@H](c2ccccc2C(=O)O)C(C#N)=C(N)O3)cc1 1865704356 UETGGSCDUMXVRM-JOCHJYFZSA-N 498.926 5.118 50 10 JKGE Cc1ccc(C)c(Cn2nc(C(F)(F)F)c3c2OC(N)=C(C#N)[C@@H]3c2ccc(C(F)(F)F)cc2)c1 1865710793 ILEMFWLAWWLJOR-SFHVURJKSA-N 492.423 5.804 50 10 JKGE CC[C@](C)(NC(=O)[C@@H](c1ccc(Cl)cc1)C1CCCC1)C(=O)Nc1ccc(SC#N)cc1 1867008097 RNOPTOMTAMWZDU-RDGATRHJSA-N 470.038 6.111 50 10 JKGE CC[C@H]1Cc2cc(OC)ccc2N(c2cc(Nc3ccc(SC#N)cc3)nc(-c3ccccc3)n2)C1 1868365761 WZVHZYQHUXAQHV-FQEVSTJZSA-N 493.636 7.189 50 10 JKGE COc1cccc([C@H]2c3ccccc3CCN2c2cc(Nc3ccc(SC#N)cc3)nc(C)n2)c1 1868481073 YUEZSRPUPVBAAD-NDEPHWFRSA-N 479.609 6.263 50 10 JKGE CCOc1ccc(-c2nc(Nc3ccc(SC#N)cc3)cc(N3CC[C@@H](c4ccco4)C3)n2)cc1 1868528343 QZCRFYRAUZCXCK-HXUWFJFHSA-N 483.597 6.446 50 10 JKGE COc1cc(/C=C2\Oc3cc(OCc4ccc(CCl)cc4)cc(C)c3C2=O)cc(OC)c1OC 1871436618 HTKRDBDRHOXRGJ-YVNNLAQVSA-N 480.944 5.955 50 10 JKGE Cc1cc(OCc2cccc(CCl)c2)cc2c1C(=O)/C(=C/c1ccc(-c3ccccc3)cc1)O2 1871437395 VQBJBWYMDRWVRY-NTFVMDSBSA-N 466.964 7.596 50 10 JKGE N#C/C(=C\c1ccccc1OCc1ccc(Br)cc1)c1cc2c(cc1[N+](=O)[O-])OCCO2 1872728481 FARDWMQQTOXFPZ-WOJGMQOQSA-N 493.313 5.772 50 10 JKGE N#C/C(=C\c1c(OCc2ccc(F)cc2)ccc2ccccc12)c1cc2c(cc1[N+](=O)[O-])OCCO2 1872728830 WPUZPXCXOATRHO-DEDYPNTBSA-N 482.467 6.301 50 10 JKGE C[C@@H](c1ccccc1)N1C[C@H](/C(O)=C(\C#N)c2nc(-c3cccc(Br)c3)cs2)CC1=O 1872745960 LKRSHEORUYBXJV-BBTAVVNOSA-N 494.414 5.975 50 10 JKGE CC(C)c1ccc(O[C@@H](C)/C(O)=C(\C#N)c2nc(-c3ccc(Cl)c(Cl)c3)cs2)cc1 1872749503 UMNRERUVFPTMFD-RJHYDAJSSA-N 459.398 7.500 50 10 JKGE COc1cc(-c2csc(/C(C#N)=C(O)/C=C/c3ccc(C(C)(C)C)cc3)n2)c(OC)cc1Cl 1872755041 VTHSFRFAAGNASN-HAQDLIPBSA-N 481.017 7.284 50 10 JKGE COc1cc(C)c(-c2csc(/C(C#N)=C/c3cc(Cl)c(O)c(OC)c3)n2)cc1C(C)C 1872793369 WPKAQTVIRPKEOQ-FRKPEAEDSA-N 454.979 6.682 50 10 JKGE COc1cc(Cl)c(C)cc1-c1csc(/C(C#N)=C/c2cc(Br)c(O)c(OC)c2)n1 1872794209 PDJDCSBRQWDAAB-WLRTZDKTSA-N 491.794 6.321 50 10 JKGE C[C@H](CCBr)N(Cc1ccccc1)c1ncc(Br)c2ccsc12 1915082571 LBWKAWKUJNVKFY-CYBMUJFWSA-N 454.231 6.239 50 10 JKGE Fc1cc([C@H](Cl)c2c(Br)sc(Br)c2Cl)c(F)c(F)c1F 1923054690 IYSPQHYWOCIKRE-YFKPBYRVSA-N 472.910 6.811 50 10 JKGE Cl[C@H](c1ccc(C2CC2)cc1)c1c(Br)sc(Br)c1Br 1924568031 ARHPVDOENUZJBD-GFCCVEGCSA-N 485.466 7.241 50 10 JKGE CC1(C)[C@H]([C@@H](Cl)c2c(Br)sc(Br)c2Br)C1(F)F 1924568629 JLCBLSZTBOSZJH-WDSKDSINSA-N 473.402 6.607 50 10 JKGE FC1(F)[C@@H]([C@@H](Cl)c2c(Br)sc(Br)c2Br)C12CC2 1924571384 QULLNHAJZCWNGA-WDSKDSINSA-N 471.386 6.361 50 10 JKGE Cl[C@@H](c1c(Br)sc(Br)c1Br)C1C[C@H]2CC[C@H](C1)C2 1924572480 YXKWEGLRQUKTOL-OKTBNZSVSA-N 477.487 7.142 50 10 JKGE FC(F)(F)c1cscc1[C@H](Br)c1c(Cl)sc(Br)c1Cl 1925560335 GCWONVNQKPBLEH-LURJTMIESA-N 474.976 7.382 50 10 JKGE Brc1ccc([C@H](Br)Cc2ccccn2)c(I)c1 2026219731 XXPJYRLBLVYEIS-GFCCVEGCSA-N 466.942 5.127 50 10 JKGE CC1(C)C2CCC1([C@H](Br)c1cc(Br)sc1Br)CC2 2033436109 ZUXGGPHOEJEESM-IYXOAMITSA-N 457.069 6.926 50 10 JKGE COc1sc([C@H](Br)c2cccc(Br)c2F)cc1Br 2034630093 SWCNNFGEOQXXFR-SNVBAGLBSA-N 458.972 5.905 50 10 JKGE Fc1cc(Cl)c(Br)cc1[C@H](Cl)c1csc(Br)c1Br 2036568790 QIBDPGOJJOQUTR-JTQLQIEISA-N 497.836 7.156 50 10 JKGE Cc1c(Cl)cc(C(=O)N(Cc2ccccc2)[C@@H](CBr)C(C)C)cc1Br 2048498212 UHGJISBBSGGDOK-IBGZPJMESA-N 487.663 6.473 50 10 JKGE FC(F)c1ccc([C@@H](Br)c2cc(Br)c(Br)s2)cc1 2052506121 HJZFYBHOAOIAKN-SNVBAGLBSA-N 460.963 6.695 50 10 JKGE Cc1cc(Br)cc([C@@H](Br)c2ccc(Br)cc2Br)c1 2083340960 WWUHVUOJLMBUEW-CQSZACIVSA-N 497.850 6.767 50 10 JKGE COc1cc(Br)c(C)cc1[C@@H](Br)c1cc(Br)oc1C 2089732487 IUSJGETXRZOVDB-AWEZNQCLSA-N 452.968 5.914 50 10 JKGE Brc1cccc(Br)c1CC[C@@H](Br)CN1CCCCC1 2099486475 DTWNNESBFBPLRQ-GFCCVEGCSA-N 454.044 5.394 50 10 JKGE Cc1c(Br)sc([C@H](Br)c2cc3c(ncn3C)s2)c1Br 2118608025 ANFBZPCQHCLHPZ-SECBINFHSA-N 485.064 6.014 50 10 JKGE CCN(C[C@](C)(CI)OC[C@H]1C[C@@H]1c1ccccc1)C(=O)OC(C)(C)C 2135979137 GQPMORXWWIWVJX-OPYAIIAOSA-N 473.395 5.257 50 10 JKGE Cc1c(Br)ccc([C@H](Br)c2cc3c(s2)CCC3)c1Br 2138848353 AOVSFQNIPUBCOE-HNNXBMFYSA-N 465.048 6.555 50 10 JKGE Cc1c(Br)ccc([C@H](Br)[C@H]2C[C@@H]3CCC[C@@H]3C2)c1Br 2138853179 PWDSXUFQCPLSMX-AZKPJATDSA-N 451.040 6.782 50 10 JKGE CCC[C@@H]1CN(Cc2ccc(I)c(Cl)c2)C[C@H]1CBr 2142952947 LNQZTWWWACFHIA-CHWSQXEVSA-N 456.593 5.188 50 10 JKGE COCc1cc(Br)c([C@H](Br)Cc2c(Cl)cccc2Cl)s1 2161087290 WFHWXVKCMVKUCH-LLVKDONJSA-N 459.030 6.643 50 10 JKGE Cc1cc(Br)c([C@@H](Br)c2cc(Br)cc(C(F)(F)F)c2)s1 2172412647 PLKCMURHLLCVNQ-NSHDSACASA-N 492.980 7.085 50 10 JKGE CCC(CC)(CBr)CN1CCN(C(=O)OC(C)(C)C)[C@H](C)C[C@@H]1C(F)(F)F 2178262878 GHGMFDLJYBNIBA-HUUCEWRRSA-N 459.391 5.450 50 10 JKGE CCCNCc1cc(Br)c(OC[C@H]2C[C@@H](Br)C2)c(Br)c1 2196905817 VLJNXNBPMOGWAG-TXEJJXNPSA-N 470.043 5.264 50 10 JKGE CO[C@@H]1CCC[C@H]([C@H](Br)c2c(C)c(Br)cc(C)c2Br)C1 2201080324 YAGFOXLLRVGISI-OZVIIMIRSA-N 469.055 6.470 50 10 JKGE COc1cc(Cl)c([C@@H](Br)c2cc3sccc3s2)cc1Br 2202345654 DRTVATVXLXVSCV-CQSZACIVSA-N 452.620 6.872 50 10 JKGE Cc1c(Br)ccc([C@@H](Br)c2cccc(C(F)F)c2)c1Br 2203706615 SZZMDDFTCWFMTI-AWEZNQCLSA-N 468.961 6.942 50 10 JKGE ClCc1cc(Br)c(OCc2ncsc2Br)c(Br)c1 2219011633 WMGFRYRIXPKIRG-UHFFFAOYSA-N 476.415 5.748 50 10 JKGE Cc1cc(Br)c([C@@H](Br)c2csc(Cl)c2)c(C)c1Br 2220153267 IJIOOLKCWQWIOJ-ZDUSSCGKSA-N 473.455 7.028 50 10 JKGE CC1(C)C[C@]1(Cl)[C@@H](Br)c1c(Br)cc(Cl)c(Cl)c1Cl 2222049084 YVXFRQAWLQDOOL-JQWIXIFHSA-N 455.832 7.253 50 10 JKGE Fc1ccc([C@H](Br)c2cc(Br)c(Br)cc2F)cc1F 2225616729 IWUCUFVNRSDTTA-ZDUSSCGKSA-N 458.897 6.113 50 10 JKGE Clc1cc(Br)c([C@H](Br)[C@@H]2[C@H]3CCCCC[C@H]32)c(Cl)c1Cl 2232509629 DTCQPGSUKCASDI-AOOGTALZSA-N 461.452 7.672 50 10 JKGE Cc1cc(Br)c([C@@H](Cl)c2cccc(C)c2I)c(C)c1Cl 2232529183 KVQBZLXAQKZYLO-HNNXBMFYSA-N 484.002 6.961 50 10 JKGE FC(F)(F)[C@@H]1CC[C@H]1COc1c(Br)cc(Br)cc1CBr 2232683552 FVFBIFWPKGFBGW-OIBJUYFYSA-N 480.944 6.074 50 10 JKGE CC(C)(c1ccccc1)[C@@H](Br)c1cc(Br)c(Br)cc1F 2233977305 UCUYEIYTHKOVRM-HNNXBMFYSA-N 464.998 6.765 50 10 JKGE Cc1ccc(I)c([C@@H](Cl)c2cc(Cl)c(Cl)c(Cl)c2Cl)c1 2241000160 FVIXOLYGNZNOKQ-LLVKDONJSA-N 480.387 7.541 50 10 JKGE COc1ccc([C@H](Cl)c2scc(Br)c2Cl)cc1I 2257368682 RSMOZWUANWOZLH-JTQLQIEISA-N 477.976 6.105 50 10 JKGE Cc1sc([C@@H](Br)c2cc(Cl)c(C)c(Br)c2)c(Br)c1C 2264464251 UDJBYTGMMBYGBW-ZDUSSCGKSA-N 487.482 7.336 50 10 JKGE Cc1cc(F)cc(C)c1[C@@H](Br)c1ccc(Cl)c(I)c1 2268278681 OTRIGBFTLIJDIT-HNNXBMFYSA-N 453.520 6.185 50 10 JKGE C=CC[C@@]1(CBr)CCCN1Cc1cc(Cl)ccc1I 2272109095 VPYJEGNRSNTNJO-HNNXBMFYSA-N 454.577 5.250 50 10 JKGE CC1(C)C[C@@H]([C@@H](Br)c2c(F)cc(Br)c(F)c2Br)CO1 2272724209 NTGGVUXOMCQYJI-LHLIQPBNSA-N 462.954 5.741 50 10 JKGE CC1([C@H](Br)c2c(F)cc(Br)c(F)c2Br)CCOCC1 2272727741 VFILJLDPPOCISL-GFCCVEGCSA-N 462.954 5.743 50 10 JKGE FC[C@@]12CC[C@@]([C@H](Br)c3ccc(Br)cc3Br)(CO1)C2 2274670279 BDVSKTAOXUKOOR-RDBSUJKOSA-N 456.975 5.556 50 10 JKGE COc1cc(F)c(F)cc1[C@@H](Br)c1ccc(Cl)c(I)c1 2283581852 ZFSJQXKKGGAHOE-AWEZNQCLSA-N 473.482 5.716 50 10 JKGE Cc1cccc([C@@H](Br)c2c(F)cc(Br)c(F)c2Br)c1Cl 2288348163 CCKGBTNQAIWNQZ-LLVKDONJSA-N 489.379 6.936 50 10 JKGE CCc1ccccc1NC(=O)C(C#N)=Cc1ccc(OC)c(COc2ccc(C(C)(C)C)cc2)c1 2295669864 BVFQZLZSCXTVBD-UHFFFAOYSA-N 468.597 6.680 50 10 JKGE CCOC(=O)c1cc(C(C)C)sc1NC(=O)C(C#N)=Cc1cc(Cl)ccc1OCCC(C)C 2295672634 FSSGHNNOHLBEMJ-UHFFFAOYSA-N 489.037 6.672 50 10 JKGE COc1ccc(C[C@H]2SC(=C(C#N)C(=O)Nc3ccccc3)N(c3ccccc3C)C2=O)cc1 2296507230 YZWKCTZVEYVZMG-XMMPIXPASA-N 469.566 5.069 50 10 JKGE Cl[C@H](c1cccc(Br)c1)c1ccc(OCc2ccccc2)cc1Br 2299523664 WIRQCTBMRUQPKQ-HXUWFJFHSA-N 466.600 7.119 50 10 JKGE C[C@@H]1C[C@H]([C@H](Br)c2ccc(OCc3ccccc3)cc2Br)CCO1 2299532358 GCRODLNTBGAGDK-KKVAFCGZSA-N 454.202 6.279 50 10 JKGE COC(=O)c1ccc(-c2ccc(C=C(C#N)C(=O)Nc3cccc(Cl)c3Cl)o2)c(C)c1 2313571412 VUWRBZDMDDZMOV-UHFFFAOYSA-N 455.297 5.894 50 10 JKGE COc1cc(C=C(C#N)C(=O)Nc2cccc(Cl)c2)ccc1OCc1ccc(Cl)cc1 2313630704 FDMLWJMDFJYEIA-UHFFFAOYSA-N 453.325 6.127 50 10 JKGE Brc1ccc(OCc2ccccc2)c([C@H](Br)[C@H]2C[C@@H]3CC[C@H](C2)O3)c1 2314439446 HRCODKDMSXIQGB-LAVAIGHBSA-N 466.213 6.422 50 10 JKGE COc1cccc2cc(-c3nn(-c4ccccc4)cc3C=C(C#N)C(=O)NCCc3ccccc3)oc12 2314450733 OHSNZJQCQRMUJO-UHFFFAOYSA-N 488.547 5.560 50 10 JKGE Cc1cc(C)cc(Oc2nc3c(C)cccn3c(=O)c2C=C(C#N)C(=O)Nc2cccc(Cl)c2)c1 2314532823 MOSZBGBFHWPALP-UHFFFAOYSA-N 484.943 5.611 50 10 JKGE Fc1c(Br)cc(Cl)c([C@H](Br)CC2CC(F)C2)c1Br 2315442439 UBBZUSUXPLFCQU-KPGICGJXSA-N 467.373 6.578 50 10 JKGE Fc1cccc(F)c1C[C@H](Br)c1sc(Cl)cc1I 2316599168 MSYJMGIIPBEWBA-ZETCQYMHSA-N 463.512 5.963 50 10 JKGE Clc1cc(I)c([C@@H](Br)C2(c3ccccc3)CC2)s1 2316772854 YUIFHWFATUOLRX-CYBMUJFWSA-N 453.570 6.174 50 10 JKGE CCOc1cc(C=NNC(=O)Cc2cc(OC)ccc2Cl)ccc1OCc1ccccc1 2323675638 FIVBIAXUPYTLRE-UHFFFAOYSA-N 452.938 5.019 50 10 JKGE C[C@@H](c1ccccc1)N1C[C@H](C(O)=C(C#N)c2nc(-c3ccc([N+](=O)[O-])cc3)cs2)CC1=O 2331281120 KABALVAEBRXGTA-MAUKXSAKSA-N 460.515 5.121 50 10 JKGE CCc1cccc(C)c1N1C[C@@H](C(O)=C(C#N)c2nc(-c3cc(C)ccc3OC)cs2)CC1=O 2331323612 LAJUBJJWZSSNIK-IBGZPJMESA-N 473.598 5.844 50 10 JKGE CCOc1ccc(OCC)c(-c2csc(C(C#N)=C(O)c3cc([N+](=O)[O-])ccc3Cl)n2)c1 2331376785 VJSSUIXDYTVQCY-UHFFFAOYSA-N 471.922 6.119 50 10 JKGE CCOc1ccccc1OCC(O)=C(C#N)c1nc(-c2cc(Cl)c(OC)cc2OC)cs1 2331378650 MEDKZVXOZBEEQL-UHFFFAOYSA-N 472.950 5.751 50 10 JKGE Cc1cc(C)c(-c2csc(C(C#N)=C(O)CCCOc3ccc4ccccc4c3)n2)c(C)c1 2331393976 PDMLVQMGUURWMV-UHFFFAOYSA-N 454.595 7.540 50 10 JKGE COc1ccc(-c2csc(C(C#N)=C(O)C=Cc3ccc([N+](=O)[O-])cc3)n2)c(OC)c1OC 2331412893 QUOUBQMYRKIJCU-UHFFFAOYSA-N 465.487 5.250 50 10 JKGE Cc1ccc(COc2ccc(C=C(C#N)c3nc(-c4ccc5ccccc5c4)cs3)cc2)cc1 2331417025 QZPAWKYIYAWAHL-UHFFFAOYSA-N 458.586 7.915 50 10 JKGE CCOc1cc(C=C(C#N)c2nc(-c3cc(C)ccc3OC)cs2)ccc1OCc1ccccc1 2331448818 DSXYSCUIQKTHTK-UHFFFAOYSA-N 482.605 7.169 50 10 JKGE CCCCCOc1ccc(C=C(C#N)c2nc(-c3cc(OC)ccc3OC)cs2)cc1OC 2331450513 RTALBJQNYYYADA-UHFFFAOYSA-N 464.587 6.469 50 10 JKGE Cc1ccc(COc2ccc(C=C(C#N)c3nc(-c4ccc(C(C)C)cc4)cs3)cc2)cc1 2331456553 CGPLLDYNLYJLBC-UHFFFAOYSA-N 450.607 7.885 50 10 JKGE COc1cc(-c2csc(C(C#N)=Cc3ccc(Cl)c([N+](=O)[O-])c3)n2)c(OC)cc1Cl 2331471020 GDNDSDLZBQYTLV-UHFFFAOYSA-N 462.314 6.106 50 10 JKGE CCCCCCOc1ccc(C=C(C#N)c2nc(-c3cc(C)c(Cl)cc3OC)cs2)cc1OC 2331474250 QNQMLOSXBHWASQ-UHFFFAOYSA-N 497.060 7.812 50 10 JKGE COc1cc(C)c(-c2csc(C(C#N)=Cc3ccccc3OCc3ccc(Cl)cc3)n2)cc1C 2331485551 FVEYKPBLIYHYDV-UHFFFAOYSA-N 487.024 7.732 50 10 JKGE N#CC(=Cc1cc(Br)ccc1F)c1nc(-c2cc(Cl)ccc2Cl)cs1 2331488809 ABGSYSFKYWVIAA-UHFFFAOYSA-N 454.151 7.083 50 10 JKGE Cn1nc([C@@H](Br)c2c(F)cc(Cl)c(Br)c2Cl)cc1Br 2335356992 XBKXVTOLQVPPGY-SNVBAGLBSA-N 495.799 5.875 50 10 JKGE Brc1ccc(OCc2ccccc2)c([C@@H](Br)c2cccc3ccsc23)c1 2336076332 XTIPYROJNBOKSG-NRFANRHFSA-N 488.244 7.727 50 10 JKGE Clc1ccc(CN2[C@H](CBr)C[C@H]3CCC[C@H]32)cc1I 2337228492 XOKFMDYETDGCSV-TYNCELHUSA-N 454.577 5.083 50 10 JKGE C[C@@H](Cl)c1nc2cc(Br)c(F)cc2n1[C@@H]1CN(Cc2ccccc2)C[C@H]1C 2357223326 TUZCJAFRZPVSRQ-ARGWCVDVSA-N 450.783 5.931 50 10 JKGE CC(C)(C)OC(=O)N1CCC[C@@](CBr)(OCCCCC(F)(F)C(F)(F)F)C1 2362726677 CGZKFTGNIMDVIR-HNNXBMFYSA-N 468.301 5.536 50 10 JKGE Cc1cc(Br)c(F)c(Br)c1[C@H](Br)[C@@H]1C[C@@H]2O[C@H]1[C@H]1C[C@@H]21 2365189781 YLCRNZLSSFWZDG-JNNHDGLMSA-N 468.986 5.519 50 10 JKGE COc1c(Br)cc(C)c([C@H](Br)[C@H]2CC23CCCC3)c1Br 2365190515 FYCZTKJUOFJEDP-ZWNOBZJWSA-N 467.039 6.545 50 10 JKGE COc1c(Br)cc(C)c([C@@H](Br)[C@@]23CCOC[C@@H]2C3)c1Br 2365194757 UZISUGITFSCNTD-TZTCFGBESA-N 469.011 5.391 50 10 JKGE Cc1cc(F)cc([C@@H](Br)c2c(C)cc(Br)c(F)c2Br)c1 2365216337 TUDUYJDWGRRFCQ-CYBMUJFWSA-N 468.961 6.591 50 10 JKGE CC(C)(C)[C@@H]1CC[C@@H](Br)[C@@H](Cc2ccc(Cl)cc2I)C1 2366714538 JMSLURUTBVTTRD-GZBFAFLISA-N 469.632 6.713 50 10 JKGE CCOc1ccc([C@H](Cl)c2cc(I)ccc2Br)c(F)c1 2367459120 LMAYTELLVBZORS-HNNXBMFYSA-N 469.519 5.920 50 10 JKGE CCc1cc(Br)c(OC)c([C@@H](Br)c2ccccc2Br)c1 2381254337 PRXLRLGPFBQEHE-HNNXBMFYSA-N 463.007 6.267 50 10 JKGE FC(F)(F)CC1CCC([C@H](Br)c2cc(Cl)c(Br)s2)CC1 2381981262 RONKZIAJIBJEDL-AYVLWNQUSA-N 454.577 7.359 50 10 JKGE Cc1ccc(-c2csc3[nH]c(SCC(=O)N/N=C/c4ccc(C(C)(C)C)cc4)nc(=O)c23)cc1 2613894 AYYLODVSQVOHRN-UVHMKAGCSA-N 490.654 5.500 50 10 JKGE N#CC1=C(N)Oc2[nH]nc(-c3ccc(Cl)c(Cl)c3)c2[C@@H]1c1ccc(C(F)(F)F)cc1 27548080 UCRBYTRDMJOHIQ-OAHLLOKOSA-N 451.235 5.620 50 10 JKGE N#C/C(=C/c1cccc(OC(=O)c2ccc(S(=O)(=O)N3CCCC3)cc2)c1)c1ccc(Cl)cc1 31903032 SIHMXGQLPPAWSM-JWGURIENSA-N 492.984 5.408 50 10 JKGE COc1ccc(/C(C#N)=C\c2ccc(N3N=C(c4ccccc4)C[C@H]3c3ccccc3)cc2)cc1OC 33568772 NKZJKVJOPZDUKM-CLNXTWJPSA-N 485.587 7.124 50 10 JKGE COc1cccc(C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@@H]3c2ccc(C(C)(C)C)cc2)c1 38649699 HSRPNCQQIONZKB-RUZDIDTESA-N 454.526 5.430 50 10 JKGE Cc1ccc(OCC(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@H]3c2ccc(Cl)c(Cl)c2)cc1C 38655973 WYRYQHYHNUCNKO-VWLOTQADSA-N 495.362 5.813 50 10 JKGE N#CC1=C(N)Oc2cc(OC(=O)c3ccccc3F)ccc2[C@@H]1c1ccc(Cl)c(Cl)c1 38656018 JUZIXCTUDNRCTH-NRFANRHFSA-N 455.272 5.570 50 10 JKGE N#C/C(=C\c1ccc(-c2ccc(Cl)cc2Cl)o1)C(=O)Nc1ccc(C(F)(F)F)c(Cl)c1 39884868 MCDXUEGVKQNXLT-YRNVUSSQSA-N 485.676 7.471 50 10 JKGE Cc1cc(OCCCC(=O)Oc2ccc(/C=C(\C#N)C(=O)NCc3ccco3)cc2)cc(C)c1Cl 40935859 MZXFHSXXPWGWGV-RCCKNPSSSA-N 492.959 5.538 50 10 JKGE C[C@H](NC(=O)/C(C#N)=C/c1cn(Cc2ccc(Cl)cc2Cl)c2ccccc12)c1ccccc1 59255444 FDDFZTFCAMIGGR-LANLRWRYSA-N 474.391 6.781 50 10 JKGE CC(C)CN(CC(C)C)c1ccc(/C=N/NC(=O)COc2ccc(C(C)(C)C)cc2)cc1[N+](=O)[O-] 59501647 DKGPIHNXWSPTCZ-RWPZCVJISA-N 482.625 5.540 50 10 JKGE Fc1cc([C@@H](Br)c2cc(Br)ccc2F)c(F)cc1Br 70474297 ZSJDPZFYANQIKF-ZDUSSCGKSA-N 458.897 6.113 50 10 JKGE Fc1cc([C@H](Br)c2cc(Br)ccc2Cl)c(F)cc1Br 70474580 FIEKFNVSPXWAHS-CYBMUJFWSA-N 475.352 6.628 50 10 JKGE Brc1cc([C@H](Br)c2ccccc2Br)c(Br)s1 71101596 KCFRWCPILUSHTO-SNVBAGLBSA-N 489.852 6.520 50 10 JKGE N#C/C(=C/Nc1ccc2ccccc2c1)c1nc(-c2cc3cc([N+](=O)[O-])ccc3oc2=O)cs1 100480646 GNICYVCBAFACOX-AQTBWJFISA-N 466.478 5.954 50 10 JKGE Cc1ccc(C23C[C@H]4C[C@@H](CC(C(=O)N/N=C/c5ccc(OCCC(C)C)cc5)(C4)C2)C3)cc1 100489971 CJFFDYKMBNVKLZ-SYWJXEQCSA-N 458.646 6.408 50 10 JKGE CC(=O)c1cc2c(cc1N/C=C(/C#N)c1nc(-c3ccc(Cl)c(Cl)c3)cs1)OCO2 102417262 KXAADSYPCZTYSF-JYRVWZFOSA-N 458.326 6.025 50 10 JKGE O=c1[nH]c2cc(Br)c([C@@H](Br)c3cc(Cl)cc(Cl)c3)cc2[nH]1 109884368 FPRHSAMXFNBDMN-ZDUSSCGKSA-N 450.945 5.410 50 10 JKGE Cc1cc(Br)c([C@@H](Cl)c2ccc(F)c(Br)c2)cc1Br 235814872 QBFRNBNKYRBMPZ-AWEZNQCLSA-N 471.389 6.750 50 10 JKGE N#C/C(=C(/Cl)c1cc(Br)ccc1I)c1cccs1 236047423 ZLBKESWRVCEBKU-RAXLEYEMSA-N 450.526 5.746 50 10 JKGE CCCCCCCCCCOc1ccc(C(=O)NN=Cc2cc(Br)ccc2O)cc1 252618362 LFJWSCKVDLMQPG-UHFFFAOYSA-N 475.427 6.438 50 10 JKGE CCN(CC)c1ccc(C=NNC(=O)/C(=C\c2cccs2)NC(=O)c2ccccc2Cl)cc1 252622198 NQOMCDLUMGAHKI-JJLMGMJGSA-N 481.021 5.169 50 10 JKGE C=CCOc1ccc(C(=O)NN=Cc2ccc(OC(=O)c3ccc(OCCC)cc3)cc2)cc1 254573228 QLHSPRVMSUTGRA-UHFFFAOYSA-N 458.514 5.023 50 10 JKGE Brc1ccc([C@@H]2CCC[C@H](CI)O2)cc1Br 309465680 SQUVSWXNGHWTET-SKDRFNHKSA-N 459.947 5.257 50 10 JKGE CCOc1ccc([C@H](Br)c2ccccc2OCc2ccccc2)c(Br)c1 311949123 JFSFEBOMTFLYBQ-QFIPXVFZSA-N 476.208 6.911 50 10 JKGE O=C(N[C@H](CBr)C1CCCCC1)c1cc(Br)c(Br)s1 386051990 VQHUUCMWNKJTTO-SNVBAGLBSA-N 474.056 5.347 50 10 JKGE COc1cc2c(cc1F)nc([C@@H](C)Cl)n2CCCN(Cc1ccccc1)Cc1ccccc1 390471885 CDNFPZXEGHXZSN-HXUWFJFHSA-N 466.000 6.576 50 10 JKGE Cc1cccc([C@H](Br)c2cc(F)c(F)c(F)c2F)c1I 395613329 LDSPYDPKRSYPFQ-JTQLQIEISA-N 459.018 5.640 50 10 JKGE Cc1cc(Br)c([C@H](Br)c2csc(C)c2C)cc1Br 399982297 HLYRQKKSBATSDG-AWEZNQCLSA-N 453.037 6.683 50 10 JKGE Cc1ccc([C@@H](Br)c2cc(Br)sc2Br)cc1C(F)(F)F 692739606 JRARWCSAUWIOPM-LLVKDONJSA-N 492.980 7.085 50 10 JKGE CCCOc1ccc([C@@H](Br)c2c(Br)cnn2C)cc1Br 693084146 MVVCSBQXMJEZBJ-CYBMUJFWSA-N 466.999 5.218 50 10 JKGE C[C@H](CBr)[C@@H]1CCCCN1C(=O)c1cc(Br)ccc1Br 696707617 BQUSOXNATVOATN-YGRLFVJLSA-N 468.027 5.237 50 10 JKGE C[C@@H](OC1(CI)CCN(C(=O)OC(C)(C)C)CC1)C1CCCCC1 719738856 WEAZCXYRMPFRHF-OAHLLOKOSA-N 451.389 5.177 50 10 JKGE Cc1cc(C=NNC(=O)C(=O)Nc2ccccc2Cl)c(C)n1-c1cccc(Cl)c1Cl 1083914517 PTGLXJQGHOTYTB-UHFFFAOYSA-N 463.752 5.143 50 10 JKGE O=C(NN=C(CSc1nc2ccccc2[nH]1)c1ccc(-c2ccccc2)cc1)c1cccc(Cl)c1 1084092337 NARUORLOKZPLBX-UHFFFAOYSA-N 497.023 6.810 50 10 JKGE Cc1cc(C=NNC(=O)c2cc3ccccc3cc2O)c(C)n1-c1cccc(Br)c1 1084502585 IHLUGQYRLPFXIO-UHFFFAOYSA-N 462.347 5.479 50 10 JKGE COc1ccc(NC(=O)/C(C#N)=C\c2cc(Cl)ccc2OCc2ccc(Cl)cc2Cl)cc1 1084608300 GUIVMOHLGOXVFA-YVLHZVERSA-N 487.770 6.780 50 10 JKGE CC(C)(C)c1ccc(C(=O)Nc2ccc(C(=O)NN=Cc3ccc(Cl)c([N+](=O)[O-])c3)cc2)cc1 1084628957 FDJUCQOKIIBCOR-UHFFFAOYSA-N 478.936 5.562 50 10 JKGE Cc1c(C(=O)Nc2cccc(Cl)c2Cl)oc2c1C(=NNC(=O)c1ccncc1)CCC2 1772746303 UEBRQIZZVOKLSB-UHFFFAOYSA-N 457.317 5.013 50 10 JKGE CCOc1cccc([C@H]2C(C#N)=C(N)Oc3c2c(C(F)(F)F)nn3-c2ccccc2Cl)c1 1865689488 AQHHEGNPHBOPEZ-KRWDZBQOSA-N 460.843 5.161 50 10 JKGE COc1ccc(-c2nn(Cc3cccc(F)c3)c3c2[C@@H](c2ccc(F)cc2)C(C#N)=C(N)O3)cc1 1865707727 DSMAPGLYCVREQR-QHCPKHFHSA-N 470.479 5.103 50 10 JKGE CC(=O)Nc1ccc(/C(C)=N\NC(=O)c2ccc(-c3ccc(Cl)cc3Cl)nc2C)cc1 1865763411 KPUPHLVHPGBUFV-QDTIIGTASA-N 455.345 5.476 50 10 JKGE CC(C)C[C@H](C(=O)NC[C@@H](C)Cl)N1C(=O)c2c(Cl)c(Cl)c(Cl)c(Cl)c2C1=O 1865899554 LOUIWDMGYJHRHK-HTQZYQBOSA-N 474.599 5.054 50 10 JKGE CC(C)[C@H](CC(=O)N[C@@H](C(=O)Nc1ccc(SC#N)cc1)c1ccccc1)c1ccc(Cl)cc1 1866764250 UXKMKYJTILINER-AZGAKELHSA-N 492.044 6.539 50 10 JKGE N#C/C(=C(/O)CCCN1C(=O)c2ccc(Br)cc2C1=O)c1nc(-c2ccccc2)cs1 1872747513 GXKDXVPAKYGXHC-ZZEZOPTASA-N 494.370 5.442 50 10 JKGE CCOc1ccc(-c2csc(/C(C#N)=C(\O)c3cc(OCC)c(OCC)c(OCC)c3)n2)cc1 1872747822 VEZDDKNGSAEAMV-GFMRDNFCSA-N 480.586 6.355 50 10 JKGE CC(C)(C)N1C(=O)c2ccc(/C(O)=C(\C#N)c3nc(-c4ccc(Cl)cc4)cs3)cc2C1=O 1872748445 XPDNXIQCLKTWOY-ZZEZOPTASA-N 463.946 5.808 50 10 JKGE COc1cc(OC)c(-c2csc(/C(C#N)=C(\O)c3cccc(Br)c3)n2)cc1Cl 1872756505 MTRIMNYMBPBBQK-RGEXLXHISA-N 477.767 6.193 50 10 JKGE CCOc1c(Br)cc(/C=C(\C#N)c2nc(-c3cccc([N+](=O)[O-])c3)cs2)cc1OC 1872782761 UKLOGBQAVBDQSV-VIZOYTHASA-N 486.347 5.952 50 10 JKGE COc1ccc(C(C)(C)C)cc1-c1csc(/C(C#N)=C/c2cc(Br)cc(OC)c2O)n1 1872793027 DNZLNHVLEQEJHX-OVCLIPMQSA-N 499.430 6.657 50 10 JKGE COc1ccc(-c2csc(/C(C#N)=C/c3ccc(Cl)c([N+](=O)[O-])c3)n2)c(OC)c1OC 1872795283 XKCHORDOQJOKJR-MDWZMJQESA-N 457.895 5.462 50 10 JKGE Cl[C@H](c1cc(Br)cs1)c1ccc(OCc2ccccc2)cc1Br 1899860838 HUOQAIGQWMJXAL-SFHVURJKSA-N 472.629 7.180 50 10 JKGE BrCC1(Cc2ccc(I)c(Br)c2)CC=CC1 1904345251 DRJOTFKBENUHOG-UHFFFAOYSA-N 455.959 5.328 50 10 JKGE O=C(c1csc(Br)c1Br)N(CCCBr)Cc1ccccc1 1914619733 APXISYBALJNJRU-UHFFFAOYSA-N 496.062 5.701 50 10 JKGE C[C@H](CCBr)N(Cc1ccccc1)C(=O)c1sccc1I 1915107963 YFFOQVQXMFWJBE-GFCCVEGCSA-N 478.193 5.169 50 10 JKGE Cc1cc2c(nc(CCCl)n2CC2(N(Cc3ccccc3)Cc3ccccc3)COC2)c(C)n1 1921370450 XDFLZUBIGLHFIN-UHFFFAOYSA-N 475.036 5.301 50 10 JKGE Clc1ccc([C@@H](Br)c2sc(Br)cc2Br)cc1Cl 1922937497 YRSFYBYLDHPJSO-SNVBAGLBSA-N 479.846 7.064 50 10 JKGE CC(C)(C1CCC1)[C@H](Br)c1c(Br)sc(Br)c1Cl 1923049082 KNKVFNZGHBZQJV-SECBINFHSA-N 465.476 7.189 50 10 JKGE C[C@@H]1OCCO[C@H]1[C@@H](Br)c1c(Br)sc(Br)c1Cl 1923067123 YSQBSUBMWPQYER-MYKRQKDWSA-N 469.420 5.166 50 10 JKGE Brc1cccnc1C[C@@H](Br)c1csc(I)c1 1924901173 SIMSQPJFVVEYQC-SECBINFHSA-N 472.971 5.189 50 10 JKGE Clc1sc(Cl)c([C@H](Br)c2sccc2I)c1Cl 1925573097 KHFYWSPGCKZOCW-YFKPBYRVSA-N 488.424 6.859 50 10 JKGE CN(CCN(Cc1ccccc1)c1cc(CBr)sc1[N+](=O)[O-])Cc1ccccc1 1931966539 BWDWIOOQKOYTPP-UHFFFAOYSA-N 474.424 5.690 50 10 JKGE BrCc1c(Br)cccc1N1CCCN(Cc2ccccc2)CCC1 1947191862 VSCANNZXCMKQRN-UHFFFAOYSA-N 452.234 5.446 50 10 JKGE CC(C)(C)OC(=O)NCCCN(CCCCCCCCCBr)Cc1ccccc1 1959572238 WIZIOKNVIGPKGP-UHFFFAOYSA-N 469.508 6.529 50 10 JKGE Cc1c(Br)sc([C@H](Cl)c2cn(C)nc2Br)c1Br 2005279810 RGASPGYJSNBSPS-SSDOTTSWSA-N 463.420 5.406 50 10 JKGE FC1(F)[C@H]([C@@H](Br)c2cc(Br)sc2Br)C12CCCC2 2036157445 SQJUEBMSTDYMBA-DTWKUNHWSA-N 464.995 6.535 50 10 JKGE COc1ccc([C@@H](Br)c2nc(C)sc2Br)c(Br)c1 2050330593 FFOPUFWRTYWCNL-SNVBAGLBSA-N 455.997 5.469 50 10 JKGE CCc1ccsc1[C@@H](Br)c1ccc(Br)c(C)c1Br 2083336990 GLSWGRWXJACRFJ-ZDUSSCGKSA-N 453.037 6.628 50 10 JKGE Fc1cc(F)c([C@H](Br)c2cccc(Br)c2Br)c(F)c1 2092329644 YURZQGKGXFLQHY-CYBMUJFWSA-N 458.897 6.113 50 10 JKGE C[C@H]1[C@H](Br)C[C@H]2CC[C@H]1N2Cc1cccc(Br)c1Br 2092340781 UNOUROQMXQAOBD-RMIQQSQVSA-N 452.028 5.348 50 10 JKGE Cc1csc([C@@H](Cl)c2cc(I)cc3c2OCC3)c1Br 2100815545 ZMJQIOWYDFAMAO-LBPRGKRZSA-N 469.569 5.687 50 10 JKGE BrCc1c(Br)cccc1N1CC[C@@]2(CCCN(Cc3ccccc3)C2)C1 2107020753 VBAKLKIDPROXFD-JOCHJYFZSA-N 478.272 5.837 50 10 JKGE COc1cc(Cl)c([C@@H](Br)c2cc(Br)c(Cl)s2)cc1Cl 2115942174 IQZKSSGYPVBKJX-LLVKDONJSA-N 465.421 6.964 50 10 JKGE Cc1cc(Br)c(C)c([C@H](Br)CC[C@@H]2CC2(C)C)c1Br 2136369454 JTGYTLAWIKHQKD-VXGBXAGGSA-N 453.056 7.091 50 10 JKGE Cc1c(Br)ccc([C@H](Br)C2(C)CCCCCC2)c1Br 2138875968 LCNHHJNSCCODMY-HNNXBMFYSA-N 453.056 7.317 50 10 JKGE Fc1cc(Cl)c(Br)cc1[C@@H](Br)Cc1ccc(Cl)c(Cl)c1 2154119345 CNCBDTIPJOQDAX-VIFPVBQESA-N 461.383 7.227 50 10 JKGE CC1(C)C[C@@H](n2c(CCl)nc3cc(I)c(F)cc32)CN1Cc1ccccc1 2154535150 OSBGXYGKCYIOJZ-OAHLLOKOSA-N 497.783 5.744 50 10 JKGE Cc1cc(Br)c(CBr)c(N2CCN(Cc3ccccc3)[C@](C)(C3CC3)C2)c1 2173448901 FJCHAYZNMBCRIR-QHCPKHFHSA-N 492.299 6.143 50 10 JKGE F[C@@H](COc1c(Br)cc(CBr)cc1Br)C1CCCCC1 2178100257 ATZGRYCWTMELPI-AWEZNQCLSA-N 473.018 6.404 50 10 JKGE COc1c(C)cc(Br)cc1[C@@H](Br)c1cc(Br)ccc1Cl 2206571866 VAXDYLYSVDDVNK-AWEZNQCLSA-N 483.425 6.666 50 10 JKGE CC(F)(F)C1([C@H](Br)c2cc(Br)c(Br)cc2F)CC1 2218598012 PZMBAXCHQPFEBT-SNVBAGLBSA-N 450.918 6.222 50 10 JKGE Cc1c(Br)sc([C@@H](Br)c2ccc(Cl)c(Br)c2)c1C 2218789034 GENWUVYCLSDDGA-NSHDSACASA-N 473.455 7.028 50 10 JKGE CC1(C)CN(Cc2c(Br)cccc2Br)C[C@H]1CCBr 2230138584 PLCICQFZMASVGK-LLVKDONJSA-N 454.044 5.455 50 10 JKGE CCc1nn(C)c([C@@H](Br)c2sc(Br)c(C)c2Br)c1Cl 2232175828 RPSXGOFTTVYCGX-MRVPVSSYSA-N 491.474 6.015 50 10 JKGE Fc1ccc(Cl)cc1[C@@H](Br)c1c(Br)cc(Cl)c(Cl)c1Cl 2232509056 BPDJCXOQCYNFSV-LLVKDONJSA-N 481.801 7.686 50 10 JKGE Cc1ccc([C@@H](Cl)c2c(Br)cc(Cl)c(Cl)c2Cl)c(Br)c1 2232511464 KSFPDCVFFKOWMV-GFCCVEGCSA-N 477.838 7.808 50 10 JKGE Cc1cc(Br)c([C@@H](Br)c2cc3cscc3s2)c(C)c1Cl 2232513137 PTEIUKPJPRWAKP-AWEZNQCLSA-N 450.648 7.480 50 10 JKGE COCC1([C@H](Br)c2c(Br)cc(Cl)c(Cl)c2Cl)CCCC1 2232527790 FKFGJDDLSSLGOQ-CYBMUJFWSA-N 465.440 7.052 50 10 JKGE CCN(C[C@@](C)(CI)OC[C@H]1CCC12CCC2)C(=O)OC(C)(C)C 2247315986 GULCODXSJRNDBO-CRAIPNDOSA-N 451.389 5.034 50 10 JKGE COC[C@@]1(C)C[C@H]1COc1c(Br)cc(Br)cc1CBr 2269280123 MKVASZPYNOIXKZ-IINYFYTJSA-N 457.000 5.158 50 10 JKGE C[C@H](Br)CN(CC(C)(C)C)C(=O)c1csc(Br)c1Br 2272461234 YYCLOIQLSVOTDW-QMMMGPOBSA-N 476.072 5.545 50 10 JKGE FC1(F)CCC([C@H](Br)Cc2cc(Br)cc(Br)c2)CC1 2277955673 LRQAZTJNDHGZNF-CYBMUJFWSA-N 460.982 6.343 50 10 JKGE CCCC[C@@H](C)CC[C@@H](Br)Cc1cc(Br)cc(Br)c1 2277956718 QLHZAGXMWYUCRC-TZMCWYRMSA-N 455.072 7.124 50 10 JKGE Fc1ccc([C@@H](Br)c2cc3sc(Br)cc3s2)c(Br)c1 2278103169 URVVLAJPLKXBPE-CYBMUJFWSA-N 485.035 7.111 50 10 JKGE COc1ccc([C@@H](Cl)c2ccc(I)c(C)c2)c(Br)c1Cl 2283546107 XKNQBRINFZGOMC-AWEZNQCLSA-N 485.974 6.352 50 10 JKGE O=C(N[C@H]1CCCC[C@H]1CCBr)c1ccc(Cl)c(I)c1 2283653055 BWSXWYFDVBWZFN-HZMBPMFUSA-N 470.576 5.018 50 10 JKGE CC1CC2(C1)CC([C@@H](Br)c1c(F)cc(Br)c(F)c1Br)C2 2288352904 IBOVPRWGEKIBOH-OBRCGDTLSA-N 472.993 6.752 50 10 JKGE Fc1cc([C@H](Cl)c2cc3sc(Br)cc3s2)c(Cl)cc1Br 2295492268 IFIZKRDUEKFRFH-ZDUSSCGKSA-N 475.029 7.609 50 10 JKGE CC(C=NNC(=O)CSc1nnc(-c2ccc(Cl)cc2)n1C)=Cc1ccc(C(C)C)cc1 2295976568 XTYZXPYIZHPQRW-UHFFFAOYSA-N 468.026 5.557 50 10 JKGE Cc1ccc(NC(=O)C(C#N)=C2S[C@@H](Cc3cccc(Cl)c3)C(=O)N2c2ccc(C)cc2)cc1 2296835051 SEZIVLBQZWMZGV-DEOSSOPVSA-N 488.012 6.022 50 10 JKGE Cc1cc(C=C(C#N)C(=O)OCc2nccn2C(F)F)c(C)n1-c1ccc(Br)cc1 2297430440 FNQFMNPHTKPFIS-UHFFFAOYSA-N 475.293 5.099 50 10 JKGE CCCOc1c(Br)cc(C=C(C#N)C(=O)Nc2ccc(Cl)cc2)cc1OCC 2313518775 SFLCJCMYVNQLFB-UHFFFAOYSA-N 463.759 5.836 50 10 JKGE CCOc1cc(C=C(C#N)C(=O)Nc2cc(Cl)ccc2C)ccc1OCc1ccc(Cl)cc1 2313724671 RYCBLKOAKMUGMX-UHFFFAOYSA-N 481.379 6.825 50 10 JKGE Brc1cc(OCc2ccccc2)ccc1[C@H](Br)C[C@@H]1CCC[C@@H]2C[C@@H]12 2314442484 BWMYOZPAFCNXST-HRQSHJORSA-N 464.241 7.290 50 10 JKGE N#CC(=Cc1ccc(-c2cccc(Cl)c2Cl)o1)C(=O)Nc1cc(Cl)ccc1Cl 2314571815 MLWAWRDCQAMAML-UHFFFAOYSA-N 452.124 7.106 50 10 JKGE CCc1ccc(N2C(=O)[C@@H](Cc3ccc(C)cc3)SC2=C(C#N)C(=O)Nc2ccc(C)cc2)cc1 2314592468 UPIHKHMETNXNLT-AREMUKBSSA-N 481.621 5.931 50 10 JKGE CCc1ccc(N2C(=O)[C@@H](Cc3ccc(F)cc3)SC2=C(C#N)C(=O)Nc2ccccc2C)cc1 2314592577 YBCDCTUBVJDUCS-RUZDIDTESA-N 485.584 5.762 50 10 JKGE CCc1ccc(N2C(=O)[C@@H](Cc3ccccc3C)SC2=C(C#N)C(=O)NCc2ccccc2)cc1 2314592715 AFUHNIVIFNSDOB-AREMUKBSSA-N 481.621 5.300 50 10 JKGE CCc1ccc(N2C(=O)[C@@H](Cc3cccc(C)c3)SC2=C(C#N)C(=O)Nc2ccccc2)cc1 2314593199 JFTRMBPXUABNTQ-RUZDIDTESA-N 467.594 5.622 50 10 JKGE Cc1cccc(C[C@H]2SC(=C(C#N)C(=O)Nc3ccccc3)N(c3ccc(C(C)C)cc3)C2=O)c1 2314593588 PQJWOIUZWZEYGV-AREMUKBSSA-N 481.621 6.183 50 10 JKGE CC1=C(C#N)C(=O)N(C2CCCCC2)C(=O)C1=Cc1cn(-c2ccccc2)nc1-c1ccc(C)c(F)c1 2314617069 QEPJZCYLMUEZEL-UHFFFAOYSA-N 494.570 5.912 50 10 JKGE CCC(C)(C)C[C@H](Br)c1c(Cl)cc(Br)c(F)c1Br 2315439509 GANGOOTWGQJPJK-QMMMGPOBSA-N 465.426 7.266 50 10 JKGE Cc1cc([C@@H](Br)c2sc(Cl)cc2I)cc(C)c1F 2316608043 YLXCGPNLRGDZQR-LLVKDONJSA-N 459.549 6.246 50 10 JKGE Brc1ccc(I)cc1CO[C@H]1CCCCC[C@@H]1Br 2319226939 WDZIHHKLJVHDGB-KBPBESRZSA-N 488.001 5.667 50 10 JKGE N#CC(=Cc1cccc(OC(=O)CC(c2ccccc2)c2ccccc2)c1)c1ccc(Cl)cc1 2320510865 FEYNCHVGRYESIQ-UHFFFAOYSA-N 463.964 7.532 50 10 JKGE COc1cccc(-c2csc(C(C#N)=C(O)C=Cc3cc(Br)c(OC)c(OC)c3)n2)c1 2331246662 KAESXRVFINXAMU-UHFFFAOYSA-N 499.386 6.104 50 10 JKGE Cc1cc(-c2csc(C(C#N)=C(O)c3ccc(N4CCCC4)c([N+](=O)[O-])c3)n2)ccc1F 2331322574 NXNJNCWERIMFBV-UHFFFAOYSA-N 450.495 5.716 50 10 JKGE C[C@@H](Oc1ccc(Cl)cc1)C(O)=C(C#N)c1nc(-c2ccc(Oc3ccccc3)cc2)cs1 2331359090 ZXEXWDJTRQGURD-QGZVFWFLSA-N 474.969 7.516 50 10 JKGE COc1cc(OC)c(-c2csc(C(C#N)=C(O)COc3c(C)ccc(C)c3C)n2)cc1Cl 2331378745 XMTKMLJMFSTNAS-UHFFFAOYSA-N 470.978 6.278 50 10 JKGE COc1ccc(-c2csc(C(C#N)=C(O)CNC(=O)c3ccc(Cl)cc3Cl)n2)cc1Cl 2331398106 HVBMOMZXOVTFHF-UHFFFAOYSA-N 494.787 6.002 50 10 JKGE Cc1ccc(COc2ccc(C=C(C#N)c3nc(-c4ccc(Cl)c(Cl)c4)cs3)cc2)cc1 2331443809 YJOSKUOLBVHUGT-UHFFFAOYSA-N 477.416 8.069 50 10 JKGE COc1cc(C=C(C#N)c2nc(-c3cc(C)c(Cl)cc3OC)cs2)ccc1OC(C)C 2331474185 LOLJBGALLIOIQU-UHFFFAOYSA-N 454.979 6.641 50 10 JKGE COCC1([C@@H](Br)c2ccc(OCc3ccccc3)cc2Br)CC(F)(F)C1 2336047921 PSHIUMJJVASFSY-SFHVURJKSA-N 490.182 6.526 50 10 JKGE COc1c(Br)cc(C)c([C@H](Br)CC[C@H]2C[C@H]2C)c1Br 2339680232 UUZDCXSFVXWTJY-DVVUODLYSA-N 455.028 6.401 50 10 JKGE ClC[C@@H]1CCC2(CC2)CN1Cc1ccc(I)c(Br)c1 2349856127 NXTKDMKWGQLKRL-LBPRGKRZSA-N 454.577 5.037 50 10 JKGE CCn1cc(Br)c([C@@H](Cl)c2c(F)cc(Cl)c(Br)c2Cl)n1 2360425368 BNNBYQPXZQIZNL-NSHDSACASA-N 465.375 6.202 50 10 JKGE Fc1cc(Cl)cc([C@H](Br)c2c(F)cc(Cl)c(Br)c2Cl)c1 2360481727 PHMNZOBJRAEXGO-NSHDSACASA-N 465.346 7.172 50 10 JKGE Cc1cc(Cl)ccc1[C@@H](Cl)c1c(Cl)cc(Br)c(F)c1Br 2362226848 XHSFNYBVIKCDNN-CYBMUJFWSA-N 461.383 7.294 50 10 JKGE Fc1c(Br)cc(Cl)c([C@H](Br)[C@H]2CCCCC23CC3)c1Br 2362229935 WJYOUJBXVLEIGE-PRHODGIISA-N 489.448 7.411 50 10 JKGE Clc1cccc(CO[C@H](CI)c2ccc(Br)cc2)c1Cl 2364802062 LJCYEAWQWDJSGR-CQSZACIVSA-N 485.974 6.449 50 10 JKGE Cc1ccc(OCc2c(Br)cccc2Br)c(CBr)c1Cl 2366215572 LWAZTLMRWHRKER-UHFFFAOYSA-N 483.425 6.647 50 10 JKGE Cc1nsc(Br)c1-n1c([C@H](C)Cl)nc2cc(I)ccc21 2380351246 IZPXPKRUXIZCLE-LURJTMIESA-N 482.572 5.457 50 10 JKGE N#C/C(C(=O)Nc1ccccc1)=C1\S[C@H](Cc2ccc(Cl)c(Cl)c2)C(=O)N1c1ccccc1 2339034 SPHJCYJRVLPWDH-UDXHRHDRSA-N 494.403 6.058 50 10 JKGE CCOc1ccc(/C=C/C(=O)Oc2ccc(/C=C(/C#N)c3ccccc3OC)cc2)cc1OC 31900756 ZUXXHAYFANVFRZ-UDEXILESSA-N 455.510 5.785 50 10 JKGE N#CC1=C(N)Oc2cc(OC(=O)c3ccc(Cl)cc3Cl)ccc2[C@@H]1c1ccc(Cl)cc1 38651332 RFQKAYHJOULKHB-NRFANRHFSA-N 471.727 6.084 50 10 JKGE C=CCOc1cccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4oc5ccccc5c4C)ccc32)c1 38701068 TZBQNWRSDJKSAG-AREMUKBSSA-N 478.504 5.743 50 10 JKGE Cc1c(C(=O)Oc2cccc3ccccc23)oc2c1/C(=N/NC(=O)COc1ccccc1)CCC2 40816177 AOFZVEBISAWCLK-QUPMIFSKSA-N 468.509 5.196 50 10 JKGE CCOc1ccc([C@@H](O)CCC(=O)N/N=C\c2cc(Cl)c(OCc3ccccc3)c(OC)c2)cc1 58894065 BJCCMJVFPAAIFZ-WYDFGVIMSA-N 496.991 5.290 50 10 JKGE CCCCc1ccc(-n2c(C)cc(/C=N/NC(=O)CC[C@@H](O)c3ccc(OCC)cc3)c2C)cc1 58894478 DSGDJVNUAAHKLU-AWUWXFTQSA-N 475.633 5.799 50 10 JKGE O=C(CCCSc1nnc(CCc2ccccc2)n1-c1ccccc1)N/N=C/c1ccc(F)cc1 58989216 BOBAZHRCVXBHHG-ZTKZIYFRSA-N 487.604 5.214 50 10 JKGE CCOc1ccc(NC(=O)/C(C#N)=C\c2cc(Br)ccc2OCc2cccc(F)c2)cc1 59224524 BORRGBDNHLGVKN-UYRXBGFRSA-N 495.348 6.112 50 10 JKGE Cc1ccc(OCC(=O)N/N=C/c2ccc(Sc3nc4ccccc4s3)c([N+](=O)[O-])c2)cc1 59498866 VERUETQIFWMNPX-ZMOGYAJESA-N 478.555 5.193 50 10 JKGE C[C@H](Cl)c1nc2cc(Br)cnc2n1-c1cc(Br)ccc1Br 98040110 VRQQDQBJEWKHDX-ZETCQYMHSA-N 494.412 6.008 50 10 JKGE COc1cc(/C=C(/C#N)C(=O)Nc2nc3ccccc3s2)ccc1OCc1ccccc1F 102443975 NBQDMDLHPQVXMR-PDGQHHTCSA-N 459.502 5.569 50 10 JKGE COc1cccc(N/C(SCc2ccc(Cl)cc2)=C(\C#N)C(=O)NCc2ccccc2)c1 105423127 KCXYEECBHXJCSI-BZZOAKBMSA-N 463.990 5.745 50 10 JKGE N#C/C(=C/c1ccc(Cl)c(Cl)c1)c1ccc(/C(C#N)=C\c2ccc(Cl)c(Cl)c2)cc1 108599514 FFYJSNGBGREIBE-QJUDHZBZSA-N 470.186 8.429 50 10 JKGE Brc1ccc(Br)c([C@@H](Br)[C@H]2CCCc3ccccc32)c1 109844854 ZHKWZDPNPOOKHL-YOEHRIQHSA-N 459.019 6.768 50 10 JKGE CCOc1cc(Cl)c([C@H](Cl)c2csc(I)c2)cc1OCC 124397503 IKHQWBSFYNCAKK-OAHLLOKOSA-N 457.160 6.132 50 10 JKGE Clc1ccc([C@H](Br)c2cc(Br)c(Br)s2)s1 128208306 VAXUKTWKMOTVBI-QMMMGPOBSA-N 451.430 6.472 50 10 JKGE Fc1cc([C@H](Cl)c2cc(Br)c(Br)s2)c(F)cc1Br 128873676 OSDXRCHHOHHNDN-JTQLQIEISA-N 481.381 6.642 50 10 JKGE COc1cc([C@@H](Br)c2cc(C)ccc2Br)c(OC)cc1Br 134298724 XFYTWWCYMDGCRK-INIZCTEOSA-N 479.006 6.022 50 10 JKGE Cc1cc([C@@H](Br)c2cc(Br)c(C)cc2Br)ccc1Cl 138411453 GTGBVVWIXSSPIL-OAHLLOKOSA-N 467.426 6.966 50 10 JKGE CCOc1ccc([C@@H](Br)c2c(F)cccc2Br)cc1Br 161229902 BOCJVZCMEVCARQ-OAHLLOKOSA-N 466.970 6.234 50 10 JKGE CCOc1c(Cl)cc(/C=N/NC(=O)c2nc(Cl)c(Cl)c(N)c2Cl)cc1Cl 169928041 KEOZYQCMRFHYPF-RREIPUBJSA-N 456.544 5.093 50 10 JKGE CCCCCc1cc2c(c(O[Si](C)(C)C(C)(C)C)c1)[C@@H]1C=C(C(=O)O)CC[C@H]1C(C)(C)O2 195953800 VLMKGTYPVASJHP-NHCUHLMSSA-N 458.715 7.479 50 10 JKGE CCOc1cc(/C=C2\C(=O)N(Cc3ccccc3)C(=O)C(C#N)=C2C)ccc1OCCC(C)C 214282628 PLRIYGCJZOFFTO-HAHDFKILSA-N 458.558 5.303 50 10 JKGE Fc1ccc([C@H](Cl)c2ccc(I)c(Cl)c2)cc1Br 232344541 WMCFVOMIQYBBCA-ZDUSSCGKSA-N 459.911 6.174 50 10 JKGE C[C@@H]1CCC[C@@](CBr)(NC(=O)c2ccc(I)c(Cl)c2)C1 232349289 HRNRAIHYELRPFS-MEBBXXQBSA-N 470.576 5.018 50 10 JKGE Cc1sc([C@@H](Cl)c2cc(Br)cc(Br)c2)cc1Br 235971751 BGQNMLSXXGZGPS-LBPRGKRZSA-N 459.428 6.672 50 10 JKGE Clc1ccc(Br)c([C@H](Br)c2cc(Br)c(Cl)s2)c1 236051521 RJYJVJFCDGKMTN-JTQLQIEISA-N 479.846 7.064 50 10 JKGE CC[C@H](Oc1ccccc1[C@@H](C)CC)C(=O)NNC(=O)[C@H](C)Oc1ccc(Cl)cc1Cl 251311299 DTQUOEGBYQJTRF-DOXZYTNZSA-N 467.393 5.279 50 10 JKGE Fc1cc([C@H](Br)c2ccc(OCc3ccccc3)cc2)c(F)cc1Br 310906590 PYSHWPWRQNSHAC-HXUWFJFHSA-N 468.135 6.791 50 10 JKGE FC(F)(F)c1csc([C@H](Cl)c2ccc(Cl)c(Br)c2)c1Br 312382304 NHVMVYCPMZYYQO-SNVBAGLBSA-N 468.947 7.274 50 10 JKGE Brc1cc([C@H](Br)c2cc3c(cc2Br)OCCCO3)co1 380772520 CYLOEONXJJHLOX-AWEZNQCLSA-N 466.951 5.450 50 10 JKGE Fc1ccc2c(c1)nc(CCl)n2-c1ccc(I)c(Br)c1 383559077 WHLFZOXNDMLDMJ-UHFFFAOYSA-N 465.491 5.271 50 10 JKGE Fc1cc(F)c(F)c([C@H](Br)c2cc(Br)sc2Br)c1F 396096366 QJRRUDAWDHLWBO-MRVPVSSYSA-N 482.916 6.314 50 10 JKGE CO[C@](C)(COCc1ccccc1)Cn1c(CCCl)nc2cc(Br)ccc21 702782449 DHBKQSFFRGEFHN-NRFANRHFSA-N 451.792 5.202 50 10 JKGE Fc1ccc(C[C@H](Br)c2ccc(I)c(Br)c2)cc1 721571347 GMTALJWIINDHGZ-LBPRGKRZSA-N 483.944 5.872 50 10 JKGE CCc1cc(Br)ccc1NC(=O)/C(C#N)=C\c1c(C)nn(Cc2ccccc2Cl)c1C 1084000490 YVLXTNVVLOHQPW-UNOMPAQXSA-N 497.824 6.072 50 10 JKGE O=C(COc1ccc(Cl)cc1Cl)NN=C(/C=C\c1ccccc1)/C=C\c1ccccc1 1084089205 CQEXFFIVRJJIIO-GFCQZRJLSA-N 451.353 6.271 50 10 JKGE Cc1c(C(=O)Nc2ccc(F)cc2)oc2c1C(=NNC(=O)c1ccc(-c3ccccc3)cc1)CCC2 1772747692 PXPFYGSLMQPDCL-UHFFFAOYSA-N 481.527 6.117 50 10 JKGE CCCc1nn(-c2ccc(Cl)c(Cl)c2)c2c1[C@H](c1ccc(OC)c(O)c1)C(C#N)=C(N)O2 1865682489 PVXRPIYAPMVZRG-HXUWFJFHSA-N 471.344 5.064 50 10 JKGE COc1ccc(-c2nn(Cc3ccc(C)cc3)c3c2[C@@H](c2ccccc2F)C(C#N)=C(N)O3)cc1 1865684322 WMGLMGCTSNJREU-DEOSSOPVSA-N 466.516 5.273 50 10 JKGE CC(C)c1ccc([C@@H]2C(C#N)=C(N)Oc3c2c(-c2ccccc2)nn3Cc2cccc(Cl)c2)cc1 1865685389 IPRLKYFRANYNHV-RUZDIDTESA-N 480.999 6.593 50 10 JKGE COc1ccc(-c2nn(-c3ccc(C)cc3)c3c2[C@@H](c2cc(C)ccc2O)C(C#N)=C(N)O3)cc1 1865686802 BHXHFBGLXAUFOU-DEOSSOPVSA-N 464.525 5.089 50 10 JKGE CCCCOc1ccc([C@@H]2C(C#N)=C(N)Oc3c2c(C)nn3-c2ccccc2Cl)cc1OC 1865697370 QTDLTNNBSFMLGE-HSZRJFAPSA-N 464.953 5.240 50 10 JKGE CCc1nn(Cc2ccc(F)cc2)c2c1[C@@H](c1ccc(OC(=O)c3ccccc3)cc1)C(C#N)=C(N)O2 1865704683 BRFMVGZZYOVZNX-VWLOTQADSA-N 494.526 5.070 50 10 JKGE COc1ccc(-n2nc(-c3ccccc3)c3c2OC(N)=C(C#N)[C@H]3c2ccccc2OC(C)C)cc1 1865705056 KZGCVGKBXOWRAG-RUZDIDTESA-N 478.552 5.553 50 10 JKGE Cc1nn(-c2ccccc2Cl)c2c1[C@H](c1ccc(OC(=O)c3ccccc3)cc1)C(C#N)=C(N)O2 1865705303 QZJILFHUKYDHLS-XMMPIXPASA-N 482.927 5.272 50 10 JKGE COc1ccc(-c2nn(Cc3ccccc3Cl)c3c2[C@H](c2cccc(C)c2)C(C#N)=C(N)O3)cc1 1865711061 OVBAFMUVKJFOIP-XMMPIXPASA-N 482.971 5.787 50 10 JKGE CCOc1cc(NC(=O)c2ccccc2)c(OCC)cc1NC(=O)/C(C#N)=C/c1ccc(C)cc1 1866127211 OLQVZLKFNSDOGS-PXLXIMEGSA-N 469.541 5.590 50 10 JKGE CCC[C@H](NC(=O)C[C@@H](c1ccc(F)c(C)c1)C(C)C)C(=O)Nc1ccc(SC#N)cc1 1866766667 OEPNHFOUSPZTJI-GGAORHGYSA-N 455.599 5.761 50 10 JKGE Cc1ccc([C@@H](C(=O)N[C@H](Cc2ccccc2)C(=O)Nc2ccc(SC#N)cc2)C(C)C)cc1 1866955766 JAZJLYKHFGVNNA-FTJBHMTQSA-N 471.626 5.674 50 10 JKGE CSCC[C@@H](NC(=O)[C@H](c1ccc(C(C)C)cc1)C(C)C)C(=O)Nc1ccc(SC#N)cc1 1866961983 QMJKKOHTSWOJLC-RPWUZVMVSA-N 483.703 5.999 50 10 JKGE CC(C)N1CCN(c2cc(Nc3ccc(SC#N)cc3)nc(-c3cccnc3)n2)c2ccccc21 1868565124 IMNHWZUYRUPANF-UHFFFAOYSA-N 479.613 6.222 50 10 JKGE CCCCCCCOc1ccc(-c2csc(/C(C#N)=C(O)/C=C/c3ccc(C)cc3)n2)cc1 1872753176 KUOGLWRJMMOKSO-AQRMLUKUSA-N 458.627 7.974 50 10 JKGE CCc1cccc(CC)c1N1C[C@@H](/C(O)=C(\C#N)c2nc(-c3c[nH]c4ccccc34)cs2)CC1=O 1872753270 OSUIOYKTIPNMIV-INIDYOGPSA-N 482.609 6.262 50 10 JKGE N#C/C(=C(/O)c1cc(C(F)(F)F)cc(C(F)(F)F)c1)c1nc(-c2c[nH]c3ccccc23)cs1 1872753293 PZGFSVWQFHYADZ-CYVLTUHYSA-N 479.405 7.279 50 10 JKGE COc1cc(/C(O)=C(\C#N)c2nc(-c3cc(C(C)(C)C)ccc3C)cs2)cc(OC)c1OC 1872755744 DATZQCXKRPIAQV-NMWGTECJSA-N 464.587 6.392 50 10 JKGE CCc1ccc(-c2csc(/C(C#N)=C/c3ccc(OCc4ccccc4Cl)cc3)n2)cc1 1872781603 LKPVSOZZVNYBOR-HZHRSRAPSA-N 456.998 7.669 50 10 JKGE COc1ccc(-c2csc(/C(C#N)=C/c3cccc(OCc4ccccc4)c3)n2)c2ccccc12 1872795276 XAMGXUMXPHVDQW-XQNSMLJCSA-N 474.585 7.615 50 10 JKGE COc1ccc(C)cc1-c1csc(/C(C#N)=C(\O)CCCCCNC(=O)c2ccccc2)n1 1873920286 BZCYMLARPLWHOH-LNVKXUELSA-N 461.587 5.910 50 10 JKGE COc1ccc(OC)c(-c2csc(/C(C#N)=C(\O)CCCOc3c(C)cccc3C)n2)c1 1873920315 CMKPHOJYYGFCSK-XDOYNYLZSA-N 450.560 6.096 50 10 JKGE Clc1sccc1[C@@H](Br)c1sc(Br)cc1Br 1909297260 XVVVSXCLYONJIC-SSDOTTSWSA-N 451.430 6.472 50 10 JKGE COC1(C(F)(F)[C@H](Br)c2cc(Br)c(Br)s2)CCC1 1912500141 JWPYZSPQWNXSDO-MRVPVSSYSA-N 468.983 5.914 50 10 JKGE C[C@H](Br)CN(Cc1ccccc1)C(=O)c1ccc(Br)c(C(F)(F)F)c1 1914631211 BKUCUGUVNRKGBU-LBPRGKRZSA-N 479.134 5.894 50 10 JKGE C[C@H](Cl)CN(Cc1ccccc1)S(=O)(=O)c1c(Cl)cc(Br)cc1Cl 1914664481 SPOQBEWXWFAFKB-NSHDSACASA-N 471.631 5.574 50 10 JKGE Cc1ccc(C)c(C[C@H](Cl)c2c(Br)sc(Br)c2Br)c1 1924597257 ZVFXRPRNOCNUNW-JTQLQIEISA-N 487.482 7.175 50 10 JKGE Clc1c(Br)sc(Br)c1[C@H](Br)[C@@]12CCC[C@@H](C1)OC2 1925061428 LUTRVXQJWHQFOC-HQLZOWSPSA-N 479.459 6.322 50 10 JKGE Cc1nc([C@@H](Cl)c2cc(Br)ccc2Br)c(Br)s1 2003562295 HNVIKRTVLHAUHL-VIFPVBQESA-N 460.416 6.067 50 10 JKGE Cc1c([C@H](Br)c2cc(Cl)c(Br)s2)c(Br)nn1C 2014559532 AWYXNIYEMRCQPT-MRVPVSSYSA-N 463.420 5.453 50 10 JKGE Clc1ccc([C@@H](Br)c2ccc(Br)cc2I)cc1 2026220959 IRQGWEDFWQYHCK-CYBMUJFWSA-N 486.372 6.191 50 10 JKGE C[C@@H]1CN(Cc2ccccc2)CCCN1c1c(CBr)ccc(Br)c1Cl 2036850434 ZFEFASYDSBTGAG-OAHLLOKOSA-N 486.679 6.098 50 10 JKGE C[C@H]1C[C@@H](N(C)c2cc(Br)cc(F)c2CBr)CN1Cc1ccccc1 2051133949 ZPPZDSKTLMOCBI-WMLDXEAASA-N 470.224 5.582 50 10 JKGE N#CC(=Cc1ccccc1I)c1nc(-c2ccc(Br)cc2)cs1 2053497911 SESUSHXDKOJYOH-UHFFFAOYSA-N 493.167 6.241 50 10 JKGE Clc1c(Br)ccc(CBr)c1N1CC[C@]2(CCN(Cc3ccccc3)C2)C1 2107029404 HGHQFWZPZDKEDX-NRFANRHFSA-N 498.690 6.100 50 10 JKGE BrCc1cc(Br)c(OC[C@H]2CC3(CC3)CO2)c(Br)c1 2110102536 DUFSSXFFXBVMFV-SNVBAGLBSA-N 454.984 5.054 50 10 JKGE O=C(N[C@H](CBr)c1cccs1)c1cc(Br)ccc1Br 2119040371 UFLQFIZINSOYQK-LLVKDONJSA-N 468.008 5.139 50 10 JKGE O=C(c1cc(Br)ccc1Br)N1CCC[C@@H](CCBr)CC1 2149747226 FZYSNKGBHLDIFV-NSHDSACASA-N 468.027 5.239 50 10 JKGE O=[N+]([O-])c1ccccc1C[C@H](Br)c1c(Br)cccc1Br 2150504498 XHKYCOYIKRWSBK-LBPRGKRZSA-N 463.951 5.799 50 10 JKGE CC1(C)C[C@H](CCOc2c(Br)cc(Br)cc2CBr)CO1 2159290419 KDPOZTMUPXCBAK-JTQLQIEISA-N 471.027 5.691 50 10 JKGE C[C@H](Cl)c1nc2cc(Cl)c(Br)cc2n1C[C@@H]1CCN(Cc2ccccc2)C1 2168997890 CRINENJNRJSYGQ-GOEBONIOSA-N 467.238 6.274 50 10 JKGE CC(C)c1ncc(COc2c(Br)cc(Br)cc2CBr)s1 2172966775 AJEWKYRFOWYZIC-UHFFFAOYSA-N 484.051 6.265 50 10 JKGE COc1cc(C)c([C@@H](Br)c2ccc(Cl)c(Br)c2)cc1Br 2198737081 LMFOIBCUQOFLMG-HNNXBMFYSA-N 483.425 6.666 50 10 JKGE COc1cc(F)c([C@@H](Br)c2c(Br)sc(C)c2C)cc1Br 2202903651 HLPZZVFXPMFABA-CYBMUJFWSA-N 487.026 6.522 50 10 JKGE COc1c(Cl)cc(Br)cc1[C@@H](Br)c1nn(C)c(Cl)c1Cl 2203012722 UXZJWJYNRXGVPH-MRVPVSSYSA-N 463.384 5.636 50 10 JKGE Cc1ccc(C(=O)N(Cc2ccccc2)[C@H](CCl)C2CC2)cc1I 2212991261 VFSIQKVOGVWLLN-LJQANCHMSA-N 453.751 5.259 50 10 JKGE Cc1c(Br)sc([C@H](Br)Cc2cccc(Br)c2)c1C 2218791775 UKSANTZAGMWXAV-GFCCVEGCSA-N 453.037 6.569 50 10 JKGE CCn1cc([C@H](Cl)c2cc(Br)c(Br)cc2F)nc1Br 2225632231 ASHTWBICOYUNJG-LLVKDONJSA-N 475.381 5.658 50 10 JKGE Fc1ccc([C@H](Cl)c2cc(Br)c(Br)cc2F)cc1Br 2225634768 QZJNVQLSJREGDX-ZDUSSCGKSA-N 475.352 6.581 50 10 JKGE CCN[C@H](c1c(Br)cc(C)c(Br)c1C)C1CC(Br)C1 2227346392 CVBKZMTZERMUNK-NWHVRFAMSA-N 454.044 5.653 50 10 JKGE Cc1csc([C@H](Br)c2c(Br)cc(C)c(Br)c2C)c1C 2227363258 VZDJCUWMIIBZBW-CQSZACIVSA-N 467.064 6.991 50 10 JKGE Cc1cc(Br)c([C@H](Br)[C@H]2C[C@]2(C)C(F)(F)F)c(C)c1Br 2235602236 YCTXYICBYVWNFJ-WQHBLYJGSA-N 478.972 6.853 50 10 JKGE Cc1cc(Br)c([C@H](Br)C2CC3(CCCC3)C2)c(C)c1Br 2235605155 JBKSOFGKWLNUGD-MRXNPFEDSA-N 465.067 7.235 50 10 JKGE Cc1cc([C@@H](Br)Cc2ccc(Br)cc2Cl)c(C)cc1Br 2237450556 IPXWDIWIPNZSKE-HNNXBMFYSA-N 481.453 7.161 50 10 JKGE Cl[C@@H](c1ccc([C@H]2CCOC2)s1)c1cc(Br)ccc1I 2240440058 YSIRPIJPOHSQMN-BJOHPYRUSA-N 483.596 5.947 50 10 JKGE COc1ccc([C@@H](Br)c2cc(C)ccc2I)c(Cl)c1Cl 2241002648 WMJVKUNEJUNSNX-CYBMUJFWSA-N 485.974 6.399 50 10 JKGE CCc1cc([C@@H](Cl)c2scc(Br)c2Br)sc1Br 2248014411 LPTPHKHEZJXUIZ-SECBINFHSA-N 479.484 6.988 50 10 JKGE COc1ccc([C@@H](Br)c2csc(Br)c2)cc1I 2248887721 UCEPSAKPPLDKBO-GFCCVEGCSA-N 487.982 5.608 50 10 JKGE Cc1sc([C@H](Br)c2cc(Br)ccc2F)c(Br)c1C 2253506776 ZSAZZWRPHWFWFW-GFCCVEGCSA-N 457.000 6.513 50 10 JKGE CN(C[C@H](Br)COCc1ccccc1)C(=O)c1cc(F)c(Br)cc1Cl 2256019137 WRCHFBOTRWNKTD-ZDUSSCGKSA-N 493.598 5.294 50 10 JKGE Brc1cc([C@@H](Br)c2ccc3scnc3c2)sc1Br 2264035410 PRVCOBFIBKXITO-NSHDSACASA-N 468.033 6.367 50 10 JKGE Brc1cnc(N2C[C@H](Br)C[C@@H]3CCCC[C@@H]32)c(Br)c1 2264948766 RUYFDUHGLQIJKI-NDMJEZRESA-N 453.016 5.139 50 10 JKGE Cc1cc(F)c(Br)cc1[C@@H](Br)c1cc(F)c(Br)cc1F 2285984006 NZJIEIZDBNMNIH-CQSZACIVSA-N 472.924 6.422 50 10 JKGE Cc1cc(Cl)c(Cl)cc1[C@H](Br)c1cc(Br)c(Cl)cc1F 2286456578 AVKPLFUPMBBYGE-AWEZNQCLSA-N 461.383 7.341 50 10 JKGE C[C@@H]1CCC[C@@](CI)(OCc2c(F)cc(Br)cc2F)C1 2287181227 UAJHJNGNBIWAEA-MEBBXXQBSA-N 459.112 5.628 50 10 JKGE CCOc1cc(C=C(C#N)C(=O)NCCc2c[nH]c3ccccc23)cc(Cl)c1O[C@H](C)CC 2294172052 XFJQSGPERKBQBV-QGZVFWFLSA-N 465.981 5.663 50 10 JKGE COc1cc(OC)c([C@H](Br)c2cccc(OCc3ccccc3)c2)cc1Br 2295436676 FOCSLZAVLZXBRC-JOCHJYFZSA-N 492.207 6.530 50 10 JKGE C=CCOc1ccc(Br)cc1C=C(C#N)C(=O)Nc1cc(C(F)(F)F)ccc1Cl 2295459667 LNHPATYCLVPCTD-UHFFFAOYSA-N 485.687 6.232 50 10 JKGE CCc1ccc(NC(=O)C(C#N)=C2S[C@@H](Cc3ccc(OC)cc3)C(=O)N2c2ccccc2)cc1 2296507153 VQJTWCVBZOJFDI-VWLOTQADSA-N 483.593 5.323 50 10 JKGE CC(C=NNC(=O)CNc1ccc(I)cc1C)=Cc1ccc(C(C)C)cc1 2297271802 FIWQNDZNHVDCJX-UHFFFAOYSA-N 475.374 5.340 50 10 JKGE COc1sccc1[C@H](Br)c1cc(Br)ccc1OCc1ccccc1 2299504877 QXNJJQFGFBDVNQ-SFHVURJKSA-N 468.210 6.583 50 10 JKGE COc1cc(C=C(C#N)c2nc3cc(C)c(C)cc3[nH]2)ccc1OCc1cccc(C(=O)O)c1 2313564880 DAODFBRKGHTDRZ-UHFFFAOYSA-N 453.498 5.530 50 10 JKGE Brc1cc(OCc2ccccc2)ccc1[C@H](Br)[C@@H]1C[C@@H]2CCC[C@@H]2C1 2314446558 URKSQVPQQCACIU-BZDHPDOMSA-N 464.241 7.290 50 10 JKGE COc1c(Br)cc(C)c([C@H](Br)C2CC(Cl)C2)c1Br 2317394439 WDKUUPFYXXWOFL-OIAXGBPSSA-N 461.419 5.982 50 10 JKGE CCc1ccc(-c2ccc(C(=O)NNC(=O)C=Cc3ccc(OCc4ccccc4)cc3)c(C)n2)cc1 2321139461 GFNOMDGTBNLJHU-UHFFFAOYSA-N 491.591 5.673 50 10 JKGE CCOc1ccc(C)cc1[C@@H](C)NC(=O)C(C#N)=CNc1ccc(I)cc1C 2325072414 WYIBAFQYEWEUKZ-MRXNPFEDSA-N 489.357 5.004 50 10 JKGE C[C@H](c1ccccc1)N1C[C@H](C(O)=C(C#N)c2nc(-c3ccc([N+](=O)[O-])cc3)cs2)CC1=O 2331281119 KABALVAEBRXGTA-CRAIPNDOSA-N 460.515 5.121 50 10 JKGE COc1ccc(C)cc1-c1csc(C(C#N)=C(O)CCCCCNC(=O)c2ccccc2)n1 2331324267 BZCYMLARPLWHOH-UHFFFAOYSA-N 461.587 5.910 50 10 JKGE COc1c(C)cc(C)cc1-c1csc(C(C#N)=C(O)[C@H]2CC(=O)N([C@H](C)c3ccccc3)C2)n1 2331373284 VLDFTJBMZYRZIN-QUCCMNQESA-N 473.598 5.838 50 10 JKGE COc1cc(C)c(-c2csc(C(C#N)=C(O)c3ccc(N4CCOCC4)c([N+](=O)[O-])c3)n2)cc1C 2331402944 KCRLZJANZKEBBE-UHFFFAOYSA-N 492.557 5.130 50 10 JKGE CCCOc1ccc(-c2csc(C(C#N)=Cc3ccc(O)c(OC)c3)n2)cc1OCCC 2331438027 SBDATSBSGRHEKR-UHFFFAOYSA-N 450.560 6.166 50 10 JKGE CC[C@H](c1ccccc1)[C@H](Br)c1cc(Br)ccc1OCc1ccccc1 2336049120 ZWQHCYMOLLHDBK-OFNKIYASSA-N 474.236 7.658 50 10 JKGE C[C@@H]1COCC[C@@H]1[C@H](Br)c1c(Cl)cc(Br)c(F)c1Br 2337091790 HFFJDTPMWFEYMN-BUYFANAVSA-N 479.409 6.113 50 10 JKGE Fc1c(Br)cc(Cl)c([C@@H](Br)C(F)(F)CC2CC2)c1Br 2337111615 NRABKCZZRZJFJP-LLVKDONJSA-N 485.363 6.876 50 10 JKGE Cc1cc(F)c([C@@H](Br)c2c(Br)c(Br)nn2C)cc1F 2338723571 YPQUYNIKEUFWBZ-SECBINFHSA-N 458.926 5.016 50 10 JKGE C[C@@H]1C[C@H]2C[C@]([C@H](Br)Cc3cc(Br)cc(Br)c3)(C2)O1 2342805660 OPBGKQJAWHQNPX-VGKMCQHDSA-N 453.012 5.475 50 10 JKGE C[C@@H](c1ccncc1F)[C@H](Cl)c1ccc(I)c(Br)c1 2344698807 NEVCBABSTQZWCR-RTHLEPHNSA-N 454.508 5.671 50 10 JKGE C[C@H](c1ccncc1F)[C@@H](Br)c1cccc(Br)c1Br 2344699906 WVVSESDRIBEVBY-AMIZOPFISA-N 451.959 5.985 50 10 JKGE Cl[C@@H]1CN(Cc2ccc(I)c(Br)c2)CC12CCCC2 2349827067 WCCOOMHLPPBKRB-CQSZACIVSA-N 454.577 5.037 50 10 JKGE COC[C@@H]1CC[C@@H](Cc2cc(I)ccc2Cl)C[C@H]1Br 2352444039 NBCMAQBUNMLOJH-COPLHBTASA-N 457.577 5.313 50 10 JKGE Cc1oc(C)c([C@H](Br)c2c(Cl)cc(Br)c(F)c2Br)c1C 2362252169 DAMFQAMESUHAML-LBPRGKRZSA-N 489.404 7.007 50 10 JKGE CC(C)(COc1cc(Br)cc(I)c1)c1nc(CCl)cs1 2364009669 BSDOZRJWWMGVIA-UHFFFAOYSA-N 486.600 5.606 50 10 JKGE Cc1ccc([C@H](Br)c2c(C)cc(Br)c(F)c2Br)c(C)c1 2365181885 XYICPUZHJBUPLR-AWEZNQCLSA-N 464.998 6.760 50 10 JKGE Cc1cc(Br)c(F)c(Br)c1[C@@H](Br)C[C@@H]1CCC[C@@H]2C[C@H]12 2365224922 DBJAKWPKDDMPMZ-RHYQMDGZSA-N 469.030 6.921 50 10 JKGE COc1cc(Cl)c(CBr)c(N(C)[C@@H]2CN(Cc3ccccc3)C(C)(C)C2)c1 2365806399 WABJEGPJXBQINE-KRWDZBQOSA-N 451.836 5.733 50 10 JKGE CC(C)c1cccc([C@@H](Br)Cc2cc(Br)cc(Br)c2)c1 2369657641 VXDPGISYKYZJMT-KRWDZBQOSA-N 461.035 7.014 50 10 JKGE N#C/C(=C/c1cccc(OC(=O)c2cccc3ccccc23)c1)C(=O)Nc1ccccc1C(F)(F)F 3231385 YFOWCQJLESWMJJ-HKWRFOASSA-N 486.449 6.623 50 10 JKGE Cc1cc(C)c(N/C(SCc2ccccc2Cl)=C(/C#N)S(=O)(=O)c2ccccc2)c(C)c1 20325745 CIMHORQKHKMYBY-WJTDDFOZSA-N 483.058 6.777 50 10 JKGE Cc1ccc(Cc2cnc(NC(=O)/C(C#N)=C\c3ccc(-c4cccc(Cl)c4)o3)s2)cc1Cl 33339802 BZHWBIALVCUXJE-PDGQHHTCSA-N 494.403 7.155 50 10 JKGE COc1cccc(/C=C(/C#N)S(=O)(=O)c2ccccc2)c1OCc1ccc(F)cc1Cl 33470846 VGNKTIAPWRMKMU-NDENLUEZSA-N 457.910 5.405 50 10 JKGE Cc1cccc(OCCOc2ccc(/C=C(/C#N)C(=O)NCc3ccco3)cc2Br)c1 34715918 TZXYZVXMLCGSJB-UYRXBGFRSA-N 481.346 5.032 50 10 JKGE N#CC1=C(N)Oc2cc(OC(=O)c3ccco3)ccc2[C@@H]1c1cccc(OCc2ccc(F)cc2)c1 38686876 NEQQOEJEUALKCL-SANMLTNESA-N 482.467 5.435 50 10 JKGE CCOc1cccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4oc5ccc(CC)cc5c4C)ccc32)c1 38701217 WTGJYJUILIKKCW-MHZLTWQESA-N 494.547 6.140 50 10 JKGE Cc1ccc(C)c(NC(=O)/C(C#N)=C\c2c(Oc3ccc(Cl)c(C)c3)nc3c(C)cccn3c2=O)c1 39858755 FXFKBAJRIFXLMX-ZHZULCJRSA-N 498.970 5.920 50 10 JKGE CCCOc1ccccc1[C@H]1C(C#N)=C(N)Oc2cc(OC(=O)c3ccccc3Cl)ccc21 40529697 XSDJXDQAHRMSTA-XMMPIXPASA-N 460.917 5.566 50 10 JKGE COc1ccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4oc5cc(C)cc(C)c5c4C)ccc32)cc1 40530338 ZPPUMHDFQBALLL-SANMLTNESA-N 480.520 5.804 50 10 JKGE Cc1ccc(NC(=O)c2oc3c(c2C)/C(=N/NC(=O)c2ccc(Cl)c([N+](=O)[O-])c2)CCC3)cc1 40813471 BGNYTFAHUIIRGN-OVVQPSECSA-N 480.908 5.181 50 10 JKGE Cc1ccccc1COc1ccc(/C=N/NC(=O)CSc2nnc(-c3ccccc3)s2)cc1 40947794 KOAUBFCVVRCULO-CVKSISIWSA-N 474.611 5.335 50 10 JKGE Cc1ccc(COc2ccc(/C=N/NC(=O)COc3ccc(Br)cc3C(C)C)cc2)cc1 40951046 XSUAWMNOPFVTPY-RWPZCVJISA-N 495.417 5.989 50 10 JKGE CC1CCC(NC(=O)[C@@H](c2ccc(Cl)cc2)N(Cc2ccc(F)cc2)C(=O)CCl)CC1 97914761 OOOZPMGIVKFFMZ-YBHUKKOHSA-N 465.396 5.483 50 10 JKGE CCOc1ccc(N2C(=O)[C@H](Cc3cccc(C)c3)S/C2=C(/C#N)C(=O)NCc2ccccc2)cc1 101241182 ZJKFDVSWJATLBZ-HFVAWESISA-N 497.620 5.136 50 10 JKGE COc1ccc(CN2C(=O)C(C#N)=C(C)/C(=C\c3ccc(-c4ccccc4Cl)o3)C2=O)cc1 101339993 RWTYMGNHTKSQFV-FYJGNVAPSA-N 458.901 5.401 50 10 JKGE CCCCCCCCCCCCCCCCNc1ncnc(NNC(=O)c2ccccc2)c1N 101531773 FDDVLBMTMJIJJO-UHFFFAOYSA-N 468.690 6.709 50 10 JKGE COc1cc(OC)cc([C@@H](Br)c2cc(Br)ccc2Br)c1 109844927 KSPBFHKNEGZXSY-OAHLLOKOSA-N 464.979 5.713 50 10 JKGE COc1cc(Br)c([C@@H](Cl)c2ccc(Br)c(Cl)c2)cc1OC 129138121 FOTZKWBLTNXSSB-HNNXBMFYSA-N 454.973 6.210 50 10 JKGE Cc1cc([C@H](Br)c2cc3[nH]c(=O)[nH]c3cc2Br)ccc1Br 137906953 KQOUFQZPTVPERT-AWEZNQCLSA-N 474.978 5.174 50 10 JKGE Cc1cc(Br)c([C@@H](Br)c2cccc(C)c2Cl)cc1Br 163014595 QRPNTDFQKGKYNM-AWEZNQCLSA-N 467.426 6.966 50 10 JKGE C[Si](C)(C)NC[C@H](O[Si](C)(C)C)c1ccc(O[Si](C)(C)C)c(O[Si](C)(C)C)c1 195783781 MLHNBOALOLAGFS-FQEVSTJZSA-N 457.912 6.431 50 10 JKGE in-vitro CC1=C(C#N)C(=O)N([C@@H](C)c2ccccc2)C(=O)/C1=C\c1cn(-c2ccccc2)nc1-c1ccc(C)cc1 214333364 VRCYMFXHYWFGQH-BCDHINTGSA-N 498.586 6.201 50 10 JKGE CCOc1ccc([C@H](Br)c2cccc(Br)c2C)cc1Br 228995718 RFYWKMYSYMZYOX-INIZCTEOSA-N 463.007 6.403 50 10 JKGE BrCc1cc(Br)c(OC[C@@H]2Cc3ccccc32)c(Br)c1 232454562 GDVKXDWVTLVZCH-LBPRGKRZSA-N 460.991 5.825 50 10 JKGE CC(C)(C)CC(C)(C)c1ccc(OCC(=O)NN=Cc2cn(Cc3ccccc3)c3ccccc23)cc1 254384305 TUTRCCJLJYGBAB-UHFFFAOYSA-N 495.667 6.933 50 10 JKGE COc1cccc(C=NNC(=O)c2cc3c(ccc4ccccc43)o2)c1OCc1ccc(Cl)cc1 254514952 RGZLNQBGRWHCMO-UHFFFAOYSA-N 484.939 6.591 50 10 JKGE CCCOc1ccc(C(=O)Oc2ccc(C=NNC(=O)c3cccc(C)c3)cc2OCC)cc1 254595102 HNRVFUUBYOXZJD-UHFFFAOYSA-N 460.530 5.166 50 10 JKGE CN(C)c1ccc(C=NNC(=O)CN2CCn3c4c(c5cc(C6CCCCC6)ccc53)CCC[C@H]42)cc1 254628411 XXFLRZUYQOCOCH-GDLZYMKVSA-N 497.687 5.598 50 10 JKGE CC(=NNC(=O)c1cccc(Br)c1)c1cccc(NC(=O)c2cccc(C)c2)c1 254872514 ZCQAENVTHHZHMS-UHFFFAOYSA-N 450.336 5.164 50 10 JKGE Brc1cc2c(c([C@@H](Br)c3ccc(OCc4ccccc4)cc3)c1)OCC2 311887694 OGMXDSYWVBVHMR-NRFANRHFSA-N 474.192 6.447 50 10 JKGE FC1(F)CCCC[C@H]1[C@@H](Br)c1cc(Br)sc1Br 327757521 MUPCOSUOZXBJOQ-CBAPKCEASA-N 452.984 6.535 50 10 JKGE Cc1ccc([C@@H]2CN(Cc3ccccc3)C[C@@H]2CI)cc1Br 382720181 MVZVASCJSYSTCW-ROUUACIJSA-N 470.192 5.408 50 10 JKGE Cc1cc(Br)c([C@@H](Cl)c2cc(Br)c(Br)s2)cc1Cl 385126859 TZLUFBZONHNGKP-LLVKDONJSA-N 493.873 7.326 50 10 JKGE C[C@H](Cl)c1nc2cc(Br)c(F)cc2n1C[C@H]1CCCN1Cc1ccccc1 390549074 WVGFXPUFGZWAOW-GOEBONIOSA-N 450.783 5.902 50 10 JKGE Cc1ccc([C@H]2CN(C(=O)OC(C)(C)C)C[C@@H]2CI)cc1Br 394699986 XPHBCUKEXTYYDB-UONOGXRCSA-N 480.184 5.143 50 10 JKGE C[C@@H]1CN(Cc2ccccc2)CC[C@@H]1n1c(CCCl)nc2cc(I)ccc21 397981030 XJDXUISMZLJWDF-UZLBHIALSA-N 493.820 5.505 50 10 JKGE O=C(Cl)/C=C\c1cc(Cl)c(OCc2ccccc2Br)c(Br)c1 725411316 LVERYABQDAFHGR-WAYWQWQTSA-N 464.968 6.223 50 10 JKGE CCOc1cc(C=NNC(=O)CCc2ccccc2)ccc1OC(=O)c1ccc(Cl)cc1 1084257277 KCZJOOHFLWFGIH-UHFFFAOYSA-N 450.922 5.041 50 10 JKGE Cc1cccc(NC(=O)/C(C#N)=C\c2cc(Br)ccc2OCc2ccccc2Cl)c1 1084358614 VXTQZYKSVQXVFY-UNOMPAQXSA-N 481.777 6.536 50 10 JKGE Cc1ccc(-n2c(C)cc(C=NNC(=O)c3ccccc3Br)c2C)cc1Br 1084396200 UWNWJQYPNFBOSL-UHFFFAOYSA-N 489.211 5.691 50 10 JKGE CC(C)Cc1ccc([C@H](C)C(=O)NN=C2C(=O)N(C/C=C\c3ccccc3)c3ccccc32)cc1 1084443098 ASDQUMBCERNYBZ-DTVYCOQUSA-N 465.597 5.569 50 10 JKGE 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 1615811159 ILOHMDKQENYFEG-DYCLMLSUSA-N 484.721 6.669 50 10 JKGE biogenic N#CSc1ccc(NC(=O)Nc2ncccc2OCCCOc2ccc(Cl)cc2)cc1 1858855427 AUGNRKSYADHXEE-UHFFFAOYSA-N 454.939 5.800 50 10 JKGE CCCc1nn(Cc2ccc(Cl)c(Cl)c2)c2c1[C@H](c1cccc3ccccc13)C(C#N)=C(N)O2 1865682345 MNWRENSLAZGGCS-XMMPIXPASA-N 489.406 6.562 50 10 JKGE CCc1nn(Cc2cccc(Cl)c2)c2c1[C@@H](c1ccc(Cl)c(Cl)c1)C(C#N)=C(N)O2 1865684985 BSZAABYDNZXUHI-IBGZPJMESA-N 459.764 5.672 50 10 JKGE CCc1nn(Cc2cccc(F)c2)c2c1[C@@H](c1c(OC)ccc3ccccc13)C(C#N)=C(N)O2 1865688633 XNOHFHXVWDSPJG-XMMPIXPASA-N 454.505 5.013 50 10 JKGE CCCCCOc1ccc([C@@H]2C(C#N)=C(N)Oc3c2c(CCC)nn3Cc2ccccc2)cc1 1865690670 YOTULLWRSYEPDR-RUZDIDTESA-N 456.590 5.671 50 10 JKGE CCOc1c(OC)cccc1[C@@H]1C(C#N)=C(N)Oc2c1c(C(F)(F)F)nn2Cc1cc(C)ccc1C 1865694623 ZWPLXOWZIINTQK-HXUWFJFHSA-N 498.505 5.193 50 10 JKGE N#CC1=C(N)Oc2c(c(-c3ccccc3)nn2-c2cccc3ccccc23)[C@H]1c1ccc(C(=O)O)cc1 1865708673 CIJDJJIGCGYNAU-VWLOTQADSA-N 484.515 5.609 50 10 JKGE N#CSc1ccc(NC(=O)[C@H](Cc2ccc(F)cc2)NC(=O)CCCc2cccc(Cl)c2)cc1 1867119946 WUZVDCPIPRVWNC-DEOSSOPVSA-N 496.007 5.741 50 10 JKGE CCc1nc(Nc2ccc(SC#N)cc2)cc(N2CCC[C@@H]2c2nc3ccccc3s2)n1 1868278265 XYGYKOGEBGLEML-LJQANCHMSA-N 458.616 6.307 50 10 JKGE COc1cc(/C=C/C(O)=C(\C#N)c2nc(-c3ccc4c(c3)CCCC4)cs2)cc(OC)c1OC 1872745531 RKHJOAKTTOPQMF-ARDXNMSASA-N 474.582 6.221 50 10 JKGE CC[C@H](C)N1C(=O)c2ccc(/C(O)=C(\C#N)c3nc(-c4cccc(Cl)c4)cs3)cc2C1=O 1872748327 SKDYSOIXORAPOX-OMEIHDDLSA-N 463.946 5.808 50 10 JKGE N#C/C(=C(/O)CCCCCNC(=O)c1ccccc1)c1nc(-c2ccc3c(c2)OCCO3)cs1 1872751024 QHDIFKVCPFAAHV-XDOYNYLZSA-N 475.570 5.364 50 10 JKGE COc1ccc(C(C)(C)C)cc1-c1csc(/C(C#N)=C(\O)CCCOc2ccccc2C)n1 1872751602 PBFJWGQKFRZNHQ-LNVKXUELSA-N 462.615 7.077 50 10 JKGE COc1ccc(C(C)(C)C)cc1-c1csc(/C(C#N)=C(\O)c2ccc(OCC(C)C)cc2)n1 1872751804 UJOSUMKCSSNOQV-LVWGJNHUSA-N 462.615 7.101 50 10 JKGE COc1ccc(-c2csc(/C(C#N)=C(\O)c3ccc4c(c3)C(=O)N(C(C)(C)C)C4=O)n2)c(C)c1C 1872753651 HTGGBNQPZKOMKW-ATJXCDBQSA-N 487.581 5.780 50 10 JKGE COc1c(Cl)cc(Cl)cc1-c1csc(/C(C#N)=C(O)/C=C/c2ccccc2Cl)n1 1872754507 WEPZZJUXUVHLEM-OMCULKSOSA-N 463.773 7.285 50 10 JKGE COc1c(Cl)cc(-c2csc(/C(C#N)=C(\O)Cc3ccc(OC(C)C)cc3)n2)cc1Cl 1872755893 KYFUGAMUYBRVJY-FXBPSFAMSA-N 475.397 6.948 50 10 JKGE COc1c(C)cc(Cl)cc1-c1csc(/C(C#N)=C(\O)[C@@H]2CC(=O)N(Cc3ccccc3)C2)n1 1872756784 APNGDARQMYJFDK-HLGQQVFSSA-N 479.989 5.622 50 10 JKGE Clc1cc(I)c([C@H](Br)c2cc(Cl)c(Cl)s2)s1 1901029042 QRPMCFVCMZVDJK-SSDOTTSWSA-N 488.424 6.859 50 10 JKGE Cc1nsc(Br)c1[C@@H](Cl)c1cc(Br)sc1Br 1912971999 TVMNRKDVXKVTJJ-ZETCQYMHSA-N 466.445 6.129 50 10 JKGE C[C@@H](CBr)N(Cc1ccccc1)Cc1cc(Cl)ccc1I 1914336707 GOKWREVUVJIGAL-ZDUSSCGKSA-N 478.599 5.730 50 10 JKGE C[C@H](CCBr)N(Cc1ccccc1)C(=O)c1ccc(Cl)c(Br)c1 1915131761 ZUOHXIHZZLBSAP-CYBMUJFWSA-N 459.609 5.918 50 10 JKGE CC(C)(C)CC[C@H](Br)c1c(Br)sc(Br)c1Cl 1923067553 FCIKORAVCIVDES-LURJTMIESA-N 453.465 7.189 50 10 JKGE CCCCC[C@@H](Br)c1c(Br)sc(Br)c1Br 1924577055 WJNWSQSUTTXFJB-ZCFIWIBFSA-N 483.889 7.052 50 10 JKGE CO[C@@H]1C[C@H]1[C@H](Br)c1c(Br)sc(Br)c1Br 1924608059 CREDBPRDEYGKBG-KODRXGBYSA-N 483.845 5.507 50 10 JKGE FC1(F)CC2(CC([C@@H](Br)c3cc(Br)sc3Br)C2)C1 2040957768 NGJIMBWQXPGIEM-SECBINFHSA-N 464.995 6.535 50 10 JKGE Fc1ccc(I)cc1[C@@H](Br)Cc1cccc(Br)c1 2050466746 DNUBNSMYBZUHST-ZDUSSCGKSA-N 483.944 5.872 50 10 JKGE Fc1cc(Cl)c([C@H](Cl)c2csc(Br)c2Br)cc1Cl 2083776736 YVKDCZKWRSJLQE-JTQLQIEISA-N 453.385 7.047 50 10 JKGE COc1c(C)cc(Br)cc1[C@H](Br)c1ccc(Br)s1 2085641244 BUTWOSFWSWFTIC-LBPRGKRZSA-N 455.009 6.074 50 10 JKGE Cc1cc(F)c([C@H](Br)c2cccc(Br)c2Br)cc1Cl 2092335660 PHJNBDYESFLIAG-CYBMUJFWSA-N 471.389 6.797 50 10 JKGE COc1cc(Br)c(C)cc1[C@@H](Br)c1cc(Br)sc1C 2095697143 SKQGSWXPTUHBTF-AWEZNQCLSA-N 469.036 6.383 50 10 JKGE Clc1ccc(I)c(CC[C@@H](Cl)c2ccccc2Br)c1 2113445879 APZHLMUIKBWHSW-CQSZACIVSA-N 469.975 6.620 50 10 JKGE Cc1cc(Br)c(C)c([C@H](Br)[C@H]2C[C@H]2CC(C)C)c1Br 2136384888 VMWLBLMFRDSDSV-BFQNTYOBSA-N 453.056 6.947 50 10 JKGE Cc1cc(Cl)c(Br)cc1[C@@H](Br)c1cccc(Br)c1C 2137643753 VKQNSRZQFMSQEJ-HNNXBMFYSA-N 467.426 6.966 50 10 JKGE Cc1c(Br)ccc([C@@H](Cl)c2cc(F)cc(Br)c2)c1Br 2138860661 FIJFRKPXBQFHOQ-AWEZNQCLSA-N 471.389 6.750 50 10 JKGE Cc1c(Br)ccc([C@H](Br)[C@H](C)C2CCCCC2)c1Br 2138873580 PZXKOEVHCVFGCI-MEBBXXQBSA-N 453.056 7.172 50 10 JKGE Cc1c(Br)ccc([C@H](Br)[C@@]2(C)C[C@@H]2C(F)(F)F)c1Br 2138873999 SAUZWMHIKZJHFR-DLOVCJGASA-N 464.945 6.545 50 10 JKGE Cc1cc(F)c(F)cc1[C@@H](Br)c1cc(Br)ccc1Br 2139643833 SRSWVGBWGQJHSI-CQSZACIVSA-N 454.934 6.283 50 10 JKGE Clc1ccc(C[C@H](CBr)Cc2cccc(Br)c2Br)cc1 2148754578 VLMZJXCGRIARNC-LBPRGKRZSA-N 481.453 6.661 50 10 JKGE ClCCc1nc2cc(Br)c(Cl)cc2n1[C@@H]1CCCN(Cc2ccccc2)C1 2159874690 PQLBSWRPHRWEEF-MRXNPFEDSA-N 467.238 6.071 50 10 JKGE COc1cccc(OCc2c(Br)cccc2Br)c1CBr 2160701291 QBUMUUSJXATPCA-UHFFFAOYSA-N 464.979 5.694 50 10 JKGE CC[C@H]1CN(CCCCCCCCCBr)[C@H](CC)CN1C(=O)OCc1ccccc1 2162988604 QKWZKZPEBBGZMV-RPWUZVMVSA-N 481.519 6.624 50 10 JKGE BrCc1cc(Br)ccc1N1CCOCC12CCN(Cc1ccccc1)CC2 2163147516 MKYUMWNXFUQQND-UHFFFAOYSA-N 494.271 5.215 50 10 JKGE Cc1c(Br)ccc([C@H](Br)C2Cc3ccccc3C2)c1Br 2203688872 WBYIKHTVYQYZSU-QGZVFWFLSA-N 459.019 6.371 50 10 JKGE COc1cc(F)c(Cl)cc1[C@H](Br)c1cc(Br)cc(Br)c1 2207361706 JEZOUPVAFLYVAD-CQSZACIVSA-N 487.388 6.497 50 10 JKGE Cc1c(Br)sc([C@H](Br)c2sccc2I)c1C 2210554712 BVMNZJSEHDFUIO-QMMMGPOBSA-N 492.039 6.278 50 10 JKGE ClCCc1nc2cc(Br)c(Br)cc2n1CCCOCc1ccccc1 2218657794 QXXPQYDWSGKTHC-UHFFFAOYSA-N 486.635 5.950 50 10 JKGE Fc1cc(Br)c(Br)cc1[C@H](Br)C1CC(CC2CC2)C1 2225617565 UQXSBTXVOYFFHL-HKJQSTPSSA-N 455.003 6.613 50 10 JKGE Cc1cc(Br)c([C@H](Br)[C@H]2C[C@H]2C(F)(F)F)c(C)c1Br 2227348497 NYQVTQDISSQBGN-JOAULVNJSA-N 464.945 6.463 50 10 JKGE Clc1cc(Br)cc([C@H](Cl)c2c(Br)cc(Cl)c(Cl)c2Cl)c1 2232508701 AJYIBQFFVAPADC-NSHDSACASA-N 498.256 8.153 50 10 JKGE Clc1cc(Br)c([C@H](Br)[C@H]2CC3CCC2CC3)c(Cl)c1Cl 2232514353 UTLUTVNAVBLWSI-UATKWWGBSA-N 461.452 7.672 50 10 JKGE C[C@@H](Cl)c1nc2c(F)cc(Br)cc2n1C[C@H]1CCN(Cc2ccccc2)C1 2232915808 IFEZNWLZROEKFJ-ZBFHGGJFSA-N 450.783 5.760 50 10 JKGE C[C@@H]1[C@H](n2c(CCCl)nc3c(F)cc(Br)cc32)CCN1Cc1ccccc1 2232922323 VZWFXZUUHHVVTM-RDTXWAMCSA-N 450.783 5.555 50 10 JKGE Fc1cc(Br)c(Br)cc1[C@@H](Br)Cc1c(F)cccc1F 2233973859 CBJPYFUGNPBECF-VIFPVBQESA-N 472.924 6.308 50 10 JKGE COc1cccc(F)c1[C@@H](Br)c1cc(Br)c(Br)cc1F 2233978170 YTJGZTZITYAQEP-AWEZNQCLSA-N 470.933 5.983 50 10 JKGE Cc1cc(Br)c([C@H](Br)c2cc(F)cc(Cl)c2)c(C)c1Br 2235603512 BNRFPZCXQOJZOF-OAHLLOKOSA-N 485.416 7.105 50 10 JKGE CC1([C@@H](Br)c2cc(Br)ccc2Br)CC2(CC(F)(F)C2)C1 2238843245 CQROVXADBWUEHU-LBPRGKRZSA-N 472.993 6.863 50 10 JKGE Cc1ccc([C@H](Br)c2ccc([C@H]3CCOC3)s2)cc1I 2240443134 BMMMWFQSNVKDQN-LRDDRELGSA-N 463.178 5.649 50 10 JKGE Cc1cc(Br)c([C@H](Br)c2scc(C)c2Br)c(C)c1F 2264487789 MXIJOOGJUJWFOC-LBPRGKRZSA-N 471.027 6.822 50 10 JKGE COc1ccc([C@@H](Cl)c2ccc(I)c(C)c2)cc1I 2269549915 HEQCRHPZTHXCEE-HNNXBMFYSA-N 498.529 5.541 50 10 JKGE C[C@H](Br)CN(CC(C)(C)C)C(=O)c1cccc(Br)c1Br 2288078774 PBTFUQCEKQKADW-JTQLQIEISA-N 470.043 5.483 50 10 JKGE O=C(CSc1nnc(-c2ccccc2)n1-c1ccc(Cl)cc1)NN=CC=Cc1ccccc1 2293473683 GGVAYGJNYRFDIL-UHFFFAOYSA-N 473.989 5.495 50 10 JKGE COc1cc(C=CC(=O)Cl)cc(I)c1OCc1cccc2ccccc12 2293940963 QTLDOOMCFSKASR-UHFFFAOYSA-N 478.713 5.811 50 10 JKGE CCOc1cc(C=C(C#N)c2cccc(Br)c2)ccc1OCc1ccc(C(=O)O)o1 2294279892 CLPXSCYMIYGKOJ-UHFFFAOYSA-N 468.303 5.782 50 10 JKGE N#CC(=Cc1cc(Br)ccc1OCc1ccccc1C#N)C(=O)Nc1ccc(O)cc1 2295187764 KSIOPGOHYNHBDZ-UHFFFAOYSA-N 474.314 5.151 50 10 JKGE COc1ccc(C2=CC(=C3N=C(c4cccc([N+](=O)[O-])c4)OC3=O)c3ccccc3O2)cc1CCl 2296571302 ZJIAHLZWLJJRNG-UHFFFAOYSA-N 488.883 5.490 50 10 JKGE CCOC(=O)c1ccc(NC(=O)C(C#N)=Cc2ccc(-c3ccc(Cl)c(Cl)c3)o2)cc1 2296655651 VAFYHTOWYCPLBE-UHFFFAOYSA-N 455.297 5.976 50 10 JKGE CO[C@@H]1C[C@]2([C@H](Br)c3ccc(OCc4ccccc4)cc3Br)C[C@@H]12 2299488490 HEOCAWTVDROYIB-MTFMMBMASA-N 452.186 5.889 50 10 JKGE CCOc1cc(C=C(C#N)C(=O)Nc2ccc(C)c(C)c2)ccc1OCc1cccc2ccccc12 2313511193 SXMOKZZKBIEWGQ-UHFFFAOYSA-N 476.576 6.980 50 10 JKGE COc1cc(C=C(C#N)C(=O)NCc2cccs2)ccc1OCc1ccc(Cl)cc1Cl 2313540693 OVAAIEZZQZTIJT-UHFFFAOYSA-N 473.381 5.866 50 10 JKGE Cc1ccc(NC(=O)C(C#N)=Cc2cc(Br)ccc2OCc2ccccc2Cl)cc1C 2313676730 YIAZKKOJSMAJRI-UHFFFAOYSA-N 495.804 6.844 50 10 JKGE Fc1cccc(Br)c1[C@@H](Cl)c1ccc(OCc2ccccc2)cc1Br 2314453585 XYHZLVOOYITDAE-FQEVSTJZSA-N 484.590 7.258 50 10 JKGE Brc1cc(OCc2ccccc2)ccc1[C@H](Br)C12CCC(CC1)CC2 2314456161 UVWCAJBRFXMLKQ-QJVIICBYSA-N 464.241 7.435 50 10 JKGE N#CC(=Cc1ccc(-c2ccc([N+](=O)[O-])cc2Cl)o1)c1nc(O)c2cc(Br)ccc2n1 2314487278 HMCSLLNBPMTJCD-UHFFFAOYSA-N 497.692 5.984 50 10 JKGE CCOc1cc(C=C2C(=O)N(Cc3ccco3)C(=O)C(C#N)=C2C)ccc1OCc1ccc(C)cc1 2314618356 LVUHKPPQISSPGM-UHFFFAOYSA-N 482.536 5.358 50 10 JKGE CCOC(=O)c1c(-c2ccc(C)cc2C)csc1NC(=O)C(C#N)=Cc1ccc(OCC)cc1 2314793035 LAONYCUHTLDWKF-UHFFFAOYSA-N 474.582 6.153 50 10 JKGE COc1cc(C=C(C#N)c2ccc(Cl)cc2)ccc1OC(=O)COc1ccc([N+](=O)[O-])cc1C 2314808148 DJVXOVKIARKBGF-UHFFFAOYSA-N 478.888 5.614 50 10 JKGE COc1cc(C=NNC(=O)c2ccc(-c3ccc4ccccc4c3)s2)ccc1OCc1ccccc1 2325901959 CBBPCWAPBBIBKC-UHFFFAOYSA-N 492.600 6.920 50 10 JKGE COc1cc(C=C(C#N)c2ccccc2[N+](=O)[O-])ccc1OCc1ccc(Cl)cc1Cl 2331066141 MOPPOIGTRXCHRO-UHFFFAOYSA-N 455.297 6.553 50 10 JKGE CCCOc1ccc(CC(O)=C(C#N)c2nc(-c3cccc(Br)c3)cs2)cc1 2331276561 OISBVPSQRRMJEY-UHFFFAOYSA-N 455.377 6.397 50 10 JKGE Cc1ccc(-c2csc(C(C#N)=C(O)c3ccc4c(c3)C(=O)N(C3CCCCC3)C4=O)n2)c(C)c1 2331308958 GXVNQUZYJWUQKA-UHFFFAOYSA-N 483.593 6.306 50 10 JKGE Cc1cc(OCCCC(O)=C(C#N)c2nc(-c3ccc4c(c3)OCCO4)cs2)cc(C)c1Cl 2331330761 GRFAKHHLHPMYFF-UHFFFAOYSA-N 482.989 6.503 50 10 JKGE COc1cc(C)c(-c2csc(C(C#N)=C(O)[C@@H](C)Oc3ccc(C(C)C)cc3)n2)cc1C(C)C 2331356036 HPBZZKHLJNYWAI-LJQANCHMSA-N 476.642 7.634 50 10 JKGE Cc1cc(Br)c([C@@H](Br)[C@@H]2[C@@H]3CCCO[C@@H]32)c(C)c1Br 2333708350 HIWVBZVDQVTFRI-GGZSPTBLSA-N 453.012 5.689 50 10 JKGE COc1ccc(Cl)cc1[C@H](Br)c1ccc(OCc2ccccc2)cc1Br 2336049405 CLMGWNFNFOWKRA-OAQYLSRUSA-N 496.626 7.174 50 10 JKGE Fc1c(Br)cc(Cl)c([C@H](Br)[C@]23CCC[C@H]2CC3)c1Br 2337097897 NOGRMZVEWBMEHN-GTNLGMRDSA-N 475.421 7.020 50 10 JKGE C[C@@H](C1CCCC1)[C@@H](Br)c1c(Cl)cc(Br)c(F)c1Br 2337113589 YPSPEPIHVUKGSF-JVXZTZIISA-N 477.437 7.266 50 10 JKGE Brc1cc(CN2C[C@H](Br)C3(CCCC3)C2)ccc1I 2349825760 RRECFVPDEQRNNW-AWEZNQCLSA-N 499.028 5.193 50 10 JKGE CC1(C)CC[C@H](Br)[C@@H](Cc2cc(I)ccc2Cl)CC1 2352428542 WIAVMYPTVGWNQL-RISCZKNCSA-N 455.605 6.467 50 10 JKGE Cc1cc(Br)c([C@@H](Br)[C@@H]2C[C@@]2(C)C(F)(F)F)c(C)c1Br 2358668789 YCTXYICBYVWNFJ-AQUOVQTQSA-N 478.972 6.853 50 10 JKGE CC[C@@](C)(CO[C@@](C)(CI)c1ccccc1Br)C(F)F 2361588007 HHSFDTXRHSYLAU-GJZGRUSLSA-N 461.128 5.797 50 10 JKGE COC[C@]1([C@H](Br)c2c(Cl)cc(Br)c(F)c2Br)CCCO1 2362225552 QMRBMJDEZLMYFB-OLZOCXBDSA-N 495.408 5.636 50 10 JKGE Fc1c(Br)cc(Cl)c([C@@H](Br)[C@@H]2C[C@@H]3CCC[C@@H]3C2)c1Br 2362241105 UATSSNDUTDAQDR-QARKVSRYSA-N 489.448 7.266 50 10 JKGE FC(F)(F)c1cc(CBr)ccc1OCc1sccc1I 2364098627 RERBJZKWQCLHTR-UHFFFAOYSA-N 477.083 5.845 50 10 JKGE Cc1ccc(F)cc1[C@H](Br)c1c(C)cc(Br)c(F)c1Br 2365178042 GVALYSGBTBYRNI-ZDUSSCGKSA-N 468.961 6.591 50 10 JKGE COC[C@]1(C)C[C@H]1[C@@H](Br)c1c(C)cc(Br)c(OC)c1Br 2365220980 YRROGXPPNGNWSN-UAKXVISKSA-N 471.027 5.637 50 10 JKGE Cc1cc(Br)c(F)c(Br)c1[C@@H](Br)[C@@H]1CC[C@H]1C(F)(F)F 2365227175 CHBFIPFKPZDUQJ-XSSZXYGBSA-N 482.935 6.684 50 10 JKGE COc1cc(C)c(Br)c(C)c1[C@@H](Br)c1csc(C)c1Br 2369593132 CSBOUGKWEWEXOG-HNNXBMFYSA-N 483.063 6.691 50 10 JKGE O=C(c1csc(Br)c1Br)N1CCC[C@H](Br)[C@@H]1C(F)(F)F 2370254059 YRPVOQWPRVEROT-POYBYMJQSA-N 499.972 5.204 50 10 JKGE CC1(C)CC(CBr)(CN2CCC[C@H](N(CC(F)F)C(=O)OC(C)(C)C)C2)C1 2371134685 WZIKSXFYQAOAJG-HNNXBMFYSA-N 453.412 5.154 50 10 JKGE Cc1ccc(C[C@H]2S/C(=C(\C#N)C(=O)NCCc3ccccc3)N(c3ccc(C)cc3)C2=O)cc1 934971 SRLFGLWZMUBVLV-VOUPIIBTSA-N 481.621 5.089 50 10 JKGE C[C@H]1C/C(=N/NC(=O)c2ccc(NS(=O)(=O)c3ccc(Br)cc3)cc2)CC(C)(C)C1 8686855 BOOYDRRVDPILMU-KHJVFXTQSA-N 492.439 5.182 50 10 JKGE CC[C@H](C)c1ccccc1O[C@H](CC)C(=O)NNC(=O)c1ccc(NC(=O)c2ccccc2)cc1 10683703 UDLUTPYDPYRTAC-YADARESESA-N 473.573 5.071 50 10 JKGE COc1cccc(/C=C(\C#N)C(=O)Nc2ccc(F)cc2)c1OCc1ccc(Br)cc1 12555991 WZXAHACKXBJJGT-QGOAFFKASA-N 481.321 5.721 50 10 JKGE COc1cc(/C=C(/C#N)C(=O)Nc2ccc(C)c(C)c2)c(Br)cc1OCc1ccccc1 16312335 HNGQSHFDSYKDBW-MTJSOVHGSA-N 491.385 6.199 50 10 JKGE CCCCOc1ccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)COc4ccc(C)cc4)ccc32)cc1 38650773 HECWMUSXZWBUJU-MUUNZHRXSA-N 484.552 5.377 50 10 JKGE Cc1cc(OCC(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@H]3c2cccc(Cl)c2)cc(C)c1Cl 38651224 LVNSSKMVKVPZMC-DEOSSOPVSA-N 495.362 5.813 50 10 JKGE N#CC1=C(N)Oc2cc(OC(=O)c3ccccc3)ccc2[C@H]1c1ccc(OCc2ccccc2F)cc1 38686369 GCYUWNWWGFLISW-MUUNZHRXSA-N 492.506 5.842 50 10 JKGE Cc1ccc(C)c(NC(=O)/C(C#N)=C/c2c(Oc3cccc(C)c3C)nc3c(C)cccn3c2=O)c1 39993078 CPYJDKZBXOXCMR-PXLXIMEGSA-N 478.552 5.575 50 10 JKGE Cc1c(C(=O)Oc2ccc3ccccc3c2)oc2c1/C(=N/NC(=O)c1cccc3ccccc13)CCC2 40813548 KFNZSINELKBEAA-HMZBKAONSA-N 488.543 6.584 50 10 JKGE CCOc1cc(/C=C(/C#N)C(=O)Nc2cc(Cl)ccc2Cl)ccc1OCc1ccc(F)cc1 59117389 CIVLAVOZBKGLHH-WQRHYEAKSA-N 485.342 6.656 50 10 JKGE CCCCCOc1ccccc1C(=O)N/N=C1\C(=O)N(C/C=C/c2ccccc2)c2ccccc21 59152643 AYSABEBNVNKYBX-JYZXXUFUSA-N 467.569 5.450 50 10 JKGE O=C(N/N=C1\C(=O)N(Cc2cccc3ccccc23)c2ccccc21)c1ccc(Cl)cc1Cl 59421118 FTIQLASELOPHSP-OLFWJLLRSA-N 474.347 5.828 50 10 JKGE O=C(N/N=C/c1ccccc1OCc1ccc(F)cc1)c1cc2cc(Br)ccc2o1 59445139 DGOKLCKVCLCWRP-LGJNPRDNSA-N 467.294 5.677 50 10 JKGE O=C(NN=C(/C=C/c1ccccc1)/C=C/c1ccccc1)C(O)(c1ccccc1)c1ccccc1 59501987 OZKHMFBSDDNFGV-MBALSZOMSA-N 458.561 5.822 50 10 JKGE N#C/C(=C/c1ccc(-c2ccc(F)cc2)o1)C(=O)Nc1ncc(Cc2cc(Cl)ccc2Cl)s1 102957849 HBZQFTRHQSSLBE-YBEGLDIGSA-N 498.366 6.985 50 10 JKGE Fc1ccc(Br)c(CC(CBr)(CBr)c2ccc(Cl)cc2)c1 118876912 ODSRVQJNLPEIGK-UHFFFAOYSA-N 499.443 6.512 50 10 JKGE Fc1ccc(Br)c([C@H](Br)c2cc(Cl)c(Br)s2)c1 127578447 BASZMHGVCPINAV-JTQLQIEISA-N 463.391 6.550 50 10 JKGE Cc1cc(Br)c([C@@H](Br)c2c(F)cccc2F)cc1Br 128834468 CXUFNNBNQGANBM-CQSZACIVSA-N 454.934 6.283 50 10 JKGE Fc1cccc(Br)c1[C@@H](Cl)c1cc(Br)ccc1Br 161175454 SGZJNIULPGOVQZ-ZDUSSCGKSA-N 457.362 6.441 50 10 JKGE COc1cc(Br)c([C@@H](Br)c2c(F)cccc2Br)cc1OC 161199716 ZHWPFOFTZVTKGK-OAHLLOKOSA-N 482.969 5.852 50 10 JKGE C[C@@H](C[C@@H](CCc1ccc(CCl)cc1)c1ccc(CCl)cc1)c1ccc(CCl)cc1 206548349 QBVHDIKGDQTDMC-CCLHPLFOSA-N 459.888 8.813 50 10 JKGE Brc1cc([C@@H](Br)[C@@H]2CCc3ccccc3C2)c(Br)s1 223608642 BECSVVAIAYDEOU-RISCZKNCSA-N 465.048 6.514 50 10 JKGE CCOc1ccc(Br)cc1[C@@H](Br)c1ccc(Cl)c(Br)c1 233778980 XISHEKLLXZBNJY-HNNXBMFYSA-N 483.425 6.748 50 10 JKGE COc1ccc([C@@H](Br)c2ccc(Br)cc2Br)cc1Cl 234976809 VHCITZKTHPNBLQ-CQSZACIVSA-N 469.398 6.358 50 10 JKGE Cc1cc(F)cc(C)c1[C@@H](Br)c1cc(Br)ccc1I 235760304 SNTPBCGQCDRLMG-HNNXBMFYSA-N 497.971 6.294 50 10 JKGE Clc1ccc([C@H](Cl)c2cc(Br)ccc2Br)cc1Br 236033337 SUILVFFTBWIOFR-ZDUSSCGKSA-N 473.817 6.956 50 10 JKGE CC(C)CCC[C@H](C)[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 251453908 XOLVVFSHDULKRS-BKFLIACYSA-N 477.173 8.567 50 10 JKGE biogenic CC(=NNC(=O)[C@]1(C)CC1(Cl)Cl)c1ccc(NC(=O)[C@H](C)Oc2ccc(Cl)cc2C)cc1 252642701 ZOKHTWYURUOBOU-NYHFZMIOSA-N 496.822 5.479 50 10 JKGE CC(=NNC(=O)c1cc(-c2ccc(C)cc2C)nc2ccccc12)c1cccc(NC(=O)C(C)(C)C)c1 254407583 LNIXSPQLYOYSAY-UHFFFAOYSA-N 492.623 6.657 50 10 JKGE O=C(COc1ccc(-c2ccccc2)cc1)NN=Cc1cccc(OC(=O)/C=C/c2ccco2)c1 263626254 XDDVAPIRNLITKX-CAFOLLDASA-N 466.493 5.095 50 10 JKGE Cc1ccc([C@H](Br)c2cc(I)cc3c2OCC3)cc1Cl 380326010 VMIJBBSBFCYKLB-HNNXBMFYSA-N 463.540 5.672 50 10 JKGE CC(C)(C)OC(=O)N1C[C@H](CI)[C@H](c2cc(Cl)ccc2Cl)C1 382720303 MZSGXWJYKRCHDJ-GXFFZTMASA-N 456.151 5.379 50 10 JKGE Cc1cc(F)c([C@@H](Br)c2cc(Br)sc2Br)cc1C 395805068 JGLPIRPFHCZQOP-GFCCVEGCSA-N 457.000 6.513 50 10 JKGE Brc1csnc1[C@@H](Br)c1cc(Br)c(Br)s1 404707228 KBVUKSJTEJOGDS-LURJTMIESA-N 496.869 5.976 50 10 JKGE CC(C)[Si](OC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC=C4C[C@@H](O)CC[C@]4(C)[C@@H]3CC[C@@]21C)(C(C)C)C(C)C 605697111 GWSKDKFALUWOQA-SLVIZUFYSA-N 488.873 8.755 50 10 JKGE in-vitro CC(C)(C)OC(=O)NCCN1C[C@H](c2ccc(CO[Si](C)(C)C(C)(C)C)cc2)Cc2ccccc21 616672734 JIROWHFVEVXAKT-RUZDIDTESA-N 496.768 6.879 50 10 JKGE CC(C)(C)OC(=O)N1CCc2ccccc2[C@H]1c1ccc(CO[Si](C)(C)C(C)(C)C)cc1 616679394 ANMYXGXPZMHXDW-XMMPIXPASA-N 453.699 7.091 50 10 JKGE Cc1ccc(-n2c(CCl)nc3cccc(Br)c32)cc1I 700074412 HDNPXENNNOZBOU-UHFFFAOYSA-N 461.528 5.440 50 10 JKGE COc1ccc(Oc2cc(Cl)ccc2CBr)cc1I 712920118 RFKBLOOIZJOJDL-UHFFFAOYSA-N 453.501 5.640 50 10 JKGE C[C@@H](Cl)c1nc2cccc(Br)c2n1CCCOCCOCc1ccccc1 829313532 BGBQGJKYKOKQEN-MRXNPFEDSA-N 451.792 5.722 50 10 JKGE COc1cc(/C=C(/C#N)C(=O)Nc2ccc(C)c(C)c2)ccc1OCc1ccc(Cl)c(Cl)c1 1083934706 FLBDOGBTUKDDDQ-JAIQZWGSSA-N 481.379 6.744 50 10 JKGE COc1ccccc1NC(=O)NN=Cc1cc(Br)c(Sc2ccc(Cl)cc2)o1 1083978455 WZLQQQUOFWTLMQ-UHFFFAOYSA-N 480.771 6.011 50 10 JKGE O=C(CCc1ccccc1O)NN=Cc1ccc(Sc2cccc3ncccc23)c([N+](=O)[O-])c1 1084058525 YSNUBURQVZKKIT-UHFFFAOYSA-N 472.526 5.083 50 10 JKGE 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 1616183573 YLQIANWVVVMWMO-NDXYYYFYSA-N 482.661 6.123 50 10 JKGE CCCCOc1ccc(C=NNC(=O)CCCOc2ccc(CC)cc2Br)cc1OC 1772756116 YZGQVTLTKKMVGB-UHFFFAOYSA-N 491.426 5.508 50 10 JKGE Cc1ccc(C(=O)Nc2cccc3c(OC(=O)Nc4ccc(SC#N)cc4)cccc23)cc1C 1858771555 ZSBUTWBQIZVJMW-UHFFFAOYSA-N 467.550 6.893 50 10 JKGE N#CSc1ccc(NC(=O)Oc2cccc3c(NC(=O)Cc4ccccc4[N+](=O)[O-])cccc23)cc1 1858775447 FMIPWSTXAIJHQA-UHFFFAOYSA-N 498.520 6.113 50 10 JKGE COc1ccc([C@H]2C(C#N)=C(N)Oc3c2c(-c2ccccc2)nn3-c2ccc(Cl)cc2)cc1O 1865682359 MUGGZCQOAYPDKF-QFIPXVFZSA-N 470.916 5.125 50 10 JKGE CN(C)c1ccc([C@@H]2C(C#N)=C(N)Oc3c2c(-c2ccccc2)nn3Cc2cccc(F)c2)cc1 1865683079 FOQUZQHXKRDJJA-XMMPIXPASA-N 465.532 5.022 50 10 JKGE CCCc1nn(Cc2c(F)cccc2Cl)c2c1[C@@H](c1cccc(OCC)c1)C(C#N)=C(N)O2 1865689733 DGKDFKSXHPPCIL-QFIPXVFZSA-N 466.944 5.293 50 10 JKGE CCCCOc1ccc([C@@H]2C(C#N)=C(N)Oc3c2c(C(F)(F)F)nn3-c2ccc(Cl)cc2)cc1 1865690281 NHERPGJFDVABFP-LJQANCHMSA-N 488.897 5.942 50 10 JKGE CCOc1cc([C@@H]2C(C#N)=C(N)Oc3c2c(C(F)(F)F)nn3CC)ccc1OCc1ccccc1C 1865702586 BQXLQUVRPVYDKZ-OAQYLSRUSA-N 498.505 5.426 50 10 JKGE N#CC1=C(N)Oc2c(c(C(F)(F)F)nn2Cc2ccc(F)cc2)[C@H]1c1ccc(Br)cc1 1865715150 XWFVIXIERVBORJ-INIZCTEOSA-N 493.258 5.070 50 10 JKGE N#CSc1ccc(NC(=O)[C@H](Cc2ccc(F)cc2)NC(=O)C[C@@H](c2ccccc2)C2CC2)cc1 1866712022 KPNSRESLXYJSRO-UIOOFZCWSA-N 487.600 5.649 50 10 JKGE C[C@@H](CC(=O)N[C@@H](Cc1ccc(F)cc1)C(=O)Nc1ccc(SC#N)cc1)c1cccc(Cl)c1 1867173852 FZMNWLBUKFDWPJ-XDHUDOTRSA-N 496.007 5.912 50 10 JKGE N#C/C(=C(/O)c1ccc(N2CCCC2)c([N+](=O)[O-])c1)c1nc(-c2ccc(Cl)cc2Cl)cs1 1872745021 TWEGJXMBRNRYOW-PGMHBOJBSA-N 487.368 6.575 50 10 JKGE COc1c(Cl)cc(-c2csc(/C(C#N)=C(\O)c3ccc(Cl)c(Cl)c3)n2)cc1Cl 1872755748 DJAOXBUKNMPANP-BOPFTXTBSA-N 472.180 7.382 50 10 JKGE Cc1ccc(C(C)(C)C)cc1-c1csc(/C(C#N)=C(\O)Cc2cc(Cl)ccc2Cl)n1 1872755750 DKTVTPROQKIYRY-QOCHGBHMSA-N 457.426 7.758 50 10 JKGE Cc1ccc(C(C)(C)C)cc1-c1csc(/C(C#N)=C(\O)CCCCCNC(=O)c2ccccc2)n1 1872755907 LMHADOBXUNDQSL-LCUIJRPUSA-N 487.669 7.199 50 10 JKGE Cc1cc(C)c(-c2csc(/C(C#N)=C(\O)c3ccc(N4CCCC4)c([N+](=O)[O-])c3)n2)c(C)c1 1872756126 RYBKXRVRKZUMOT-CLCOLTQESA-N 460.559 6.194 50 10 JKGE COc1cc(Br)cc(/C=C(\C#N)c2nc(-c3ccc(-c4ccccc4)cc3)cs2)c1O 1872782689 PMTIKPYADAAPAT-RGVLZGJSSA-N 489.394 7.018 50 10 JKGE CCCOc1ccc(-c2csc(/C(C#N)=C/c3ccc(OC(=O)c4ccccc4)c(OC)c3)n2)cc1 1872791106 WBVAHJLYTRNYJZ-XQNSMLJCSA-N 496.588 6.891 50 10 JKGE COc1cc(Cl)c(C)cc1-c1csc(/C(C#N)=C/c2cc(Br)ccc2O)n1 1872794321 VKGMPGYPAXTKQP-AWNIVKPZSA-N 461.768 6.313 50 10 JKGE CCOc1cc(/C=C(\C#N)c2nc(-c3ccc(Cl)s3)cs2)ccc1OCc1ccccc1C 1872794598 LEODZQHXHRFWJP-UDWIEESQSA-N 493.053 7.875 50 10 JKGE CC(C)C[C@@H](/C(O)=C(\C#N)c1nc(-c2ccc(F)cc2F)cs1)N1C(=O)c2ccccc2C1=O 1872817960 FNBNTSFGUVYKNW-UEBMVEOSSA-N 479.508 5.592 50 10 JKGE CC(C)(C)OC(=O)N1CCC[C@H](C(=O)N/N=C/c2ccc(OCc3ccccc3Cl)cc2)C1 1873499355 QUCYTGOKCOPBKQ-TUCSVVMZSA-N 471.985 5.016 50 10 JKGE FC1(F)CC[C@H](Br)[C@H](Cc2c(Br)cccc2Br)CC1 1881850011 MYPDZIFERABNQD-ONGXEEELSA-N 460.982 6.343 50 10 JKGE C[C@H](Br)CC(C)(C)Cc1ccc(I)c(Br)c1 1904329890 OWSDHWFEFLAQLK-VIFPVBQESA-N 459.991 5.796 50 10 JKGE Cl[C@H](c1c(Br)sc(Br)c1Br)[C@@H]1[C@H]2CCCO[C@H]21 1907589378 XCJVAFOMCAXZDO-HLORNFRZSA-N 465.432 5.741 50 10 JKGE C[C@@H](Cl)c1nc2c(Br)cc(F)cc2n1C(C)(C)CN(C)Cc1ccccc1 1912668048 DKUFRAYILQQEOA-CQSZACIVSA-N 452.799 6.105 50 10 JKGE CC[C@H](Cl)CN(Cc1ccccc1)S(=O)(=O)c1ccc(Br)cc1Cl 1915106166 PYUQFAAVDISYKL-HNNXBMFYSA-N 451.213 5.311 50 10 JKGE O=C(c1cccc(Br)c1Br)N(Cc1ccccc1)[C@@H](CCl)C1CC1 1915150798 CBZWAQSVLHEXCN-KRWDZBQOSA-N 471.620 5.871 50 10 JKGE Clc1cccc(CN(Cc2ccccc2)[C@@H](CBr)C2CC2)c1Br 1915164164 GQHNZRVNALEXOI-SFHVURJKSA-N 457.637 6.278 50 10 JKGE CC1(C)C[C@@H]([C@@H](Br)c2sc(Br)cc2Br)C(C)(C)O1 1922881517 IUEKMFHROKZVAU-OIBJUYFYSA-N 461.057 6.303 50 10 JKGE Brc1cc([C@@H](Br)c2sc(Br)cc2Br)co1 1922893306 VRTUPXLXJZLVHD-MRVPVSSYSA-N 479.813 6.113 50 10 JKGE Cc1nsc(Br)c1[C@H](Cl)c1sc(Br)c(C)c1Br 1922928747 CANOAURVUROCDO-ZETCQYMHSA-N 480.472 6.437 50 10 JKGE Cc1cc(Br)c([C@H](Cl)c2sc(Br)cc2Br)cc1Cl 1922954454 OICGQXQBALEVPJ-NSHDSACASA-N 493.873 7.326 50 10 JKGE Cc1c(Br)sc([C@H](Br)CC[C@H]2CCCCO2)c1Br 1922955502 ZTLAWZGDVUALOD-NXEZZACHSA-N 461.057 6.367 50 10 JKGE FC(F)Oc1cccc([C@H](Cl)c2c(Br)sc(Br)c2Cl)c1 1923050175 QYSKCZMEAAGGMI-QMMMGPOBSA-N 466.956 6.856 50 10 JKGE Clc1c(Br)sc(Br)c1[C@H](Br)[C@H]1C[C@@H]2CC[C@H]1O2 1923065318 AXUQMHGENIDLEO-LZCNBPATSA-N 465.432 5.930 50 10 JKGE Cc1cc([C@@H](Br)c2c(Br)sc(Br)c2Cl)c(F)cc1F 1923068245 OXEYJUOPHMSWJE-SECBINFHSA-N 495.408 6.997 50 10 JKGE Brc1cnccc1C[C@H](Br)c1ccc(I)cc1 1924044270 UYJJMROQCZRZRM-LBPRGKRZSA-N 466.942 5.127 50 10 JKGE Cl[C@@H](Cc1ccncc1Br)c1cc(Br)ccc1Br 1924048766 VOPMPCQLQWEEPY-ZDUSSCGKSA-N 454.387 5.892 50 10 JKGE Clc1cscc1[C@@H](Cl)c1c(Br)sc(Br)c1Br 1924612175 JXDDXLFNZRGFKY-SSDOTTSWSA-N 485.875 7.079 50 10 JKGE Brc1cc2c(cc1[C@@H](Br)c1csnc1Br)OCCCO2 1925253871 CISJCDCIXJJBDN-GFCCVEGCSA-N 484.007 5.314 50 10 JKGE Cc1cc(Br)c([C@H](Br)c2c(Cl)sc(Cl)c2Cl)cc1Cl 1925590988 SUVJVWOIHJLLJW-VIFPVBQESA-N 483.867 7.917 50 10 JKGE Cl[C@@H](c1cc(Br)ccc1Br)c1cscc1OCc1ccccc1 1939523540 GUGOXUHYAFHGFT-SFHVURJKSA-N 472.629 7.180 50 10 JKGE CCN(C[C@](C)(CI)O[C@@H]1CC[C@H](C)C[C@H]1C)C(=O)OC(C)(C)C 1947111261 BTRXXVHRQPFPJM-MKSNKDDYSA-N 453.405 5.278 50 10 JKGE Cc1c(Br)sc([C@H](Br)[C@@H]2C[C@@]23CC3(F)F)c1Br 2004506213 GDJVQWPOBHKTCJ-WVBSTYLSSA-N 450.968 6.063 50 10 JKGE C[C@@H]1CCC[C@H]([C@H](Br)c2c(Br)sc(Br)c2Cl)CC1 2039358740 DSVNMJDFMXCWRE-WEDXCCLWSA-N 479.503 7.579 50 10 JKGE Cc1cc(Br)c(CBr)c(N(C)C[C@@H]2CCN(Cc3ccccc3)C2)c1 2053204584 ZQOIRMBVRKIPBU-SFHVURJKSA-N 466.261 5.611 50 10 JKGE Cc1c([C@H](Cl)c2c(Cl)sc(Br)c2Cl)c(Br)nn1C 2067855627 VEPAPQMQWQXEBY-LURJTMIESA-N 453.414 5.950 50 10 JKGE CC1(C)[C@@H](Br)CCCN1C(=O)c1csc(Br)c1Br 2076213955 OZYBUKAFGHDJJX-QMMMGPOBSA-N 460.029 5.051 50 10 JKGE Cc1c(Br)sc([C@@H](Br)[C@@]23CC[C@@H](C2)[C@H](C)O3)c1Br 2078504554 DQCLBKHXYXUUIV-HTLPYRINSA-N 459.041 5.975 50 10 JKGE O=C(N[C@H]1CCCC[C@H]1CCBr)c1scc(Br)c1Br 2090573378 SRRGDEQUJIWLAP-WPRPVWTQSA-N 474.056 5.347 50 10 JKGE Brc1cccc(Br)c1[C@H](Br)c1ccc(CC2CC2)s1 2094097936 FRWCZTSEVOKPNG-OAHLLOKOSA-N 465.048 6.710 50 10 JKGE CN(CCCn1c(CCCl)nc2cc(Br)c(Cl)cc21)Cc1ccccc1 2103624953 SLPGQSRSLDYJBC-UHFFFAOYSA-N 455.227 5.756 50 10 JKGE FC1(F)[C@@H]2CC(CBr)(Cc3cc(Cl)ccc3I)C[C@H]21 2107644899 JJMXVBXWDGRFBM-GHMZBOCLSA-N 461.515 5.544 50 10 JKGE C[C@]1([C@H](Cl)c2c(Br)sc(Br)c2Cl)CCCCC1(F)F 2111645930 GMVKOJYSBVAQMR-LDYMZIIASA-N 457.005 7.422 50 10 JKGE Fc1ccc(I)cc1[C@@H](Br)c1ccc(F)c(Cl)c1F 2113350938 KHSWUIZTYRFKHY-NSHDSACASA-N 461.446 5.846 50 10 JKGE O=C(N[C@H](CBr)c1ccsc1)c1cc(Br)ccc1Br 2119041676 YFPKBSHFAHTCBB-GFCCVEGCSA-N 468.008 5.139 50 10 JKGE FC(F)(F)[C@@H]1CN(Cc2ccccc2)CCN1c1ccc(Br)cc1CBr 2130160268 SZXLOJVDRGCABF-SFHVURJKSA-N 492.177 5.597 50 10 JKGE Clc1c(Br)sc(Br)c1[C@H](Br)[C@H]1C[C@H]1C1CCOCC1 2135277640 NZKHQRUMRCPWJD-OYNCUSHFSA-N 493.486 6.425 50 10 JKGE Cc1cc(Br)c(C)c([C@H](Br)[C@H]2C(F)(F)C23CC3)c1Br 2136374302 KUCQXAXCTMYSLL-NWDGAFQWSA-N 458.966 6.310 50 10 JKGE COc1ccsc1[C@H](Br)c1c(C)c(Br)cc(C)c1Br 2136379668 MVGVGXVXIGAWLE-CYBMUJFWSA-N 469.036 6.383 50 10 JKGE Cc1cc(Cl)c([C@@H](Br)c2cccc(Br)c2Br)cc1Cl 2136696659 QLVICEJEBMXKCU-ZDUSSCGKSA-N 487.844 7.311 50 10 JKGE Cc1c(F)cccc1[C@H](Br)c1ccc(Br)c(C)c1Br 2138853253 VRHWOKKRTSCUOK-HNNXBMFYSA-N 450.971 6.452 50 10 JKGE CC[C@@](C)(Cn1c(CCl)nc2cc(F)c(Br)cc21)N(C)Cc1ccccc1 2155094603 NZAOJEATKKBUOE-NRFANRHFSA-N 452.799 5.977 50 10 JKGE C[C@@H]1CN(Cc2ccccc2)C[C@@H]1n1c(CCCl)nc2cc(Br)c(Cl)cc21 2159886454 UETYWSVTGQPLRP-VLIAUNLRSA-N 467.238 5.927 50 10 JKGE ClCc1nc2cc(Cl)c(Br)cc2n1CCc1nccn1Cc1ccccc1 2168998380 GFQZNNXILWCQTF-UHFFFAOYSA-N 464.194 5.679 50 10 JKGE CC(C)(C)OC(=O)N1CCN(CCCCCCCCCBr)C[C@H]1C(F)(F)F 2186716891 YAUBVXNWNKZEDY-INIZCTEOSA-N 459.391 5.596 50 10 JKGE Cc1cc(Br)c(C)c([C@H](Br)C2C[C@H](C)O[C@@H](C)C2)c1Br 2201066372 ZRRSLLZHBHJQJH-XQJJYNOISA-N 469.055 6.468 50 10 JKGE Cc1cc(Br)c(C)c([C@H](Br)[C@@H]2CC[C@@H]3[C@@H]2C3(F)F)c1Br 2201080172 WVLULHMJRJHATI-ULSKOJAOSA-N 472.993 6.556 50 10 JKGE Fc1cc(F)cc(CO[C@H](CI)c2ccccc2Br)c1 2204373421 FUGKRFIOSAPUAJ-OAHLLOKOSA-N 453.064 5.420 50 10 JKGE Cc1csc([C@H](Br)c2sc(Br)c(C)c2C)c1Br 2213621463 XXIXHKKHCBNFNB-SECBINFHSA-N 459.066 6.744 50 10 JKGE Cc1sc(C(=O)N(Cc2ccccc2)[C@H](CBr)C(C)C)c(Br)c1C 2215945308 GBHGIYPPSZPLIG-MRXNPFEDSA-N 473.274 6.189 50 10 JKGE Cc1cc(Br)cc(CBr)c1OCc1cscc1Br 2219922629 HUJBVKDNDLEUBB-UHFFFAOYSA-N 455.009 6.055 50 10 JKGE CCOC1CC([C@@H](Br)c2c(Br)cc(C)c(Br)c2C)C1 2227362082 KENOHBXSHOVXIO-QKFMDRJYSA-N 455.028 6.080 50 10 JKGE CCCCCCCCCCO[C@](C)(CI)CN(CC)C(=O)OC(C)(C)C 2231037954 PESYTZSBBBDYLC-OAQYLSRUSA-N 483.475 6.594 50 10 JKGE Brc1cc([C@@H](Br)c2ccc([C@@H]3CCOC3)s2)sc1Br 2231754093 HIZHKNMDAMOANJ-KRTXAFLBSA-N 487.076 6.323 50 10 JKGE COc1ccc([C@@H](Br)c2cc(C)ccc2I)c(Br)c1 2232221870 HGFQIHLBACCQOC-OAHLLOKOSA-N 495.980 5.855 50 10 JKGE Cc1c(Br)ccc([C@H](Br)[C@@H]2OC[C@H]3CCCC[C@@H]32)c1Br 2233185196 DSVFLUIJPMNLKN-LZJQFABFSA-N 467.039 6.161 50 10 JKGE O=C(c1cc(Br)sc1Br)N1CC[C@@H]2[C@@H](Br)CCC[C@H]2C1 2233740991 UHBIGKBCEFDLSF-QXEWZRGKSA-N 486.067 5.299 50 10 JKGE COc1cc(Br)c([C@@H](Cl)c2ccc(I)c(C)c2)cc1C 2236009902 PKEPOGHCCIEDEN-INIZCTEOSA-N 465.556 6.007 50 10 JKGE BrC[C@@H]1C[C@@H]2CCCC[C@@H]2N1Cc1cccc(Br)c1Br 2240672363 BLHACMWPCKSCCF-WHOFXGATSA-N 466.055 5.740 50 10 JKGE Cc1cc(Br)c([C@@H](Cl)c2csc(I)c2)c(C)c1F 2253511313 DBMBVTUZBYQPHS-LBPRGKRZSA-N 459.549 6.199 50 10 JKGE FC[C@@]12CC[C@@]([C@@H](Br)c3cc(Br)c(Br)s3)(CO1)C2 2261559203 OHIPLCPETUMHMT-DLOVCJGASA-N 463.004 5.618 50 10 JKGE CC(C)CN(C[C@@H](C)Br)C(=O)c1ccc(Br)cc1Br 2272458373 WNYOPXROUWUBFY-SNVBAGLBSA-N 456.016 5.093 50 10 JKGE Brc1cc(Br)cc(C[C@H](Br)[C@H]2CCCC23CCC3)c1 2277947454 IBTYZTRONOAAFJ-CABCVRRESA-N 451.040 6.488 50 10 JKGE Cc1cc(Cl)c(Br)cc1[C@@H](Cl)c1cc(F)c(Br)cc1Cl 2282906858 HMXFMUBTCXMNNI-CQSZACIVSA-N 461.383 7.294 50 10 JKGE Fc1cc([C@H](Br)c2ccc(Cl)c(I)c2)c(F)c(F)c1F 2283572008 AUIPOTLNLVTWQC-SNVBAGLBSA-N 479.436 5.985 50 10 JKGE CCCC[C@H](C)CC[C@@H](Br)c1c(F)cc(Br)c(F)c1Br 2288345831 UPRYVELJWMFLET-VHSXEESVSA-N 477.025 7.532 50 10 JKGE Fc1ccc(F)c([C@H](Br)c2c(F)cc(Br)c(F)c2Br)c1 2288487969 CJGWYZHOOXVKHH-NSHDSACASA-N 476.887 6.252 50 10 JKGE CC1(C)C[C@@H]([C@H](Br)Cc2cc(Br)cc(Br)c2)C(C)(C)O1 2295340416 WKLHKMQFOVAYCQ-UONOGXRCSA-N 469.055 6.111 50 10 JKGE COc1cc(C)c(Cl)cc1[C@H](Br)c1cccc(C)c1I 2295377989 KTLNYDASXHVFMQ-OAHLLOKOSA-N 465.556 6.054 50 10 JKGE CCCSc1ccc(-c2nn(-c3ccccc3)cc2C=C(C#N)C(=O)NCCCn2ccnc2)cc1 2296545538 YOYKZBUJNUCJNQ-UHFFFAOYSA-N 496.640 5.351 50 10 JKGE O=C(NN=Cc1cc(Cl)ccc1O)c1scc2c1NC(=O)C2(c1ccccc1)c1ccccc1 2297715856 UAWRMKKPTMCHPK-UHFFFAOYSA-N 487.968 5.158 50 10 JKGE C[C@@H](C[C@H](Br)c1ccc(OCc2ccccc2)cc1Br)C(F)(F)F 2299505189 UQTUDOLZAAUCSQ-LRDDRELGSA-N 466.135 7.053 50 10 JKGE FC(F)[C@H]1CCc2c(OCc3ccccc3)ccc(Br)c2[C@@H](Br)C1 2299526634 ZTKLAUODAOWZOT-BBRMVZONSA-N 460.156 6.682 50 10 JKGE Cc1ccc([C@H](Cl)c2sc(Cl)cc2I)c(Br)c1 2300956153 WEEFVOXCNNSGHL-NSHDSACASA-N 461.977 6.405 50 10 JKGE Brc1cc(CC[C@@H](Br)c2ccco2)ccc1I 2306216456 GJVYGGJGPFJSLH-SNVBAGLBSA-N 469.942 5.716 50 10 JKGE COc1cc(C=C(C#N)C(=O)Nc2ccccc2)cc(Br)c1OCc1ccc(Cl)cc1 2313521473 QMNHEUHDKWCJRN-UHFFFAOYSA-N 497.776 6.236 50 10 JKGE N#CC(=Cc1ccc(OCc2ccc(Cl)c(Cl)c2)cc1)C(=O)Nc1cccc(C(F)(F)F)c1 2313724583 KWTJGQLEHWVOML-UHFFFAOYSA-N 491.296 7.137 50 10 JKGE Cc1ccc(NC(=O)C(C#N)=Cc2cc(Br)ccc2OCc2ccccc2)cc1C 2313738852 TYSUQODQWXGHDP-UHFFFAOYSA-N 461.359 6.191 50 10 JKGE CC(C)CC(CC(C)C)OC1(CI)CCN(C(=O)OC(C)(C)C)CC1 2313810496 KMEOQCFDMXNPLP-UHFFFAOYSA-N 467.432 5.669 50 10 JKGE Brc1cc(OCc2ccccc2)ccc1[C@@H](Br)[C@@H]1CC[C@@H]2C[C@H]1CO2 2314445197 QINLIDPZAJDSIU-LZKITUNOSA-N 466.213 6.279 50 10 JKGE CCCCOc1ccc(C=C(C#N)C(=O)Nc2ccc(Cl)c(C(F)(F)F)c2)cc1OC 2314488697 MNPYPEVDPSCPRJ-UHFFFAOYSA-N 452.860 6.092 50 10 JKGE Brc1cc(OCc2ccccc2)ccc1[C@@H](Br)[C@H]1CC12CCOCC2 2314503970 XYDVDTGJJBONKH-UYAOXDASSA-N 466.213 6.281 50 10 JKGE COc1ccc(N2C(=O)[C@@H](Cc3ccc(F)cc3)SC2=C(C#N)C(=O)Nc2ccccc2C)cc1 2314591701 BMTHGOAPNGVEFQ-XMMPIXPASA-N 487.556 5.208 50 10 JKGE CCOc1cc(C=C2C(=O)N([C@H](C)CC)C(=O)C(C#N)=C2C)ccc1OCc1ccccc1F 2314611520 WFJHBSMQFOADQK-QGZVFWFLSA-N 462.521 5.194 50 10 JKGE CCOC(=O)C(C#N)=Cc1ccc(OC(=O)CCCOc2ccc(Cl)cc2Cl)c(OCC)c1 2314736052 QSYCYOAFCVNPHP-UHFFFAOYSA-N 492.355 5.627 50 10 JKGE CC(C)(C)OC(=O)NC[C@](C)(CI)OCCCCC(F)(F)C(F)(F)F 2315805485 ZIYMJTLUQMJMLH-ZDUSSCGKSA-N 489.263 5.089 50 10 JKGE Clc1cc(I)c([C@@H](Br)[C@H]2Cc3ccccc3O2)s1 2316598967 KIOFWWKTIDXOJK-PWSUYJOCSA-N 455.542 5.446 50 10 JKGE COc1cc(C=C(C#N)c2ccccc2)ccc1OC(=O)C=Cc1ccc(OCc2ccccc2)cc1 2320506467 KGOPCPHJJQTGME-UHFFFAOYSA-N 487.555 6.957 50 10 JKGE C[C@H](c1ccncc1F)[C@@H](Br)c1scc(Br)c1Br 2321455951 OVMRRZJZSOGRKS-LHLIQPBNSA-N 457.988 6.047 50 10 JKGE CCOc1ccc(-c2csc(C(C#N)=C(O)CN3C(=O)COc4ccc(Cl)cc43)n2)cc1 2331305858 DNLPRBGRMVFPOU-UHFFFAOYSA-N 467.934 5.080 50 10 JKGE N#CC(=C(O)CN1C(=O)c2ccccc2C1=O)c1nc(-c2ccc(Cl)c(Cl)c2)cs1 2331311518 PREQIMISPYMRBY-UHFFFAOYSA-N 456.310 5.206 50 10 JKGE COc1ccc(Cl)cc1N1C[C@@H](C(O)=C(C#N)c2nc(-c3cccs3)cs2)CC1=O 2331326852 WDKJVGVVSKNGOV-LBPRGKRZSA-N 457.964 5.379 50 10 JKGE CCCCCCCOc1ccc(-c2csc(C(C#N)=C(O)c3cc(Cl)ccc3Cl)n2)cc1 2331346038 UAXRRKTXORDTIV-UHFFFAOYSA-N 487.452 8.416 50 10 JKGE COc1cccc(OC)c1C(O)=C(C#N)c1nc(-c2cc(Cl)cc(Cl)c2OC)cs1 2331362413 HGTBSQXOVNAUDB-UHFFFAOYSA-N 463.342 6.093 50 10 JKGE CC[C@H](C)[C@H](C(O)=C(C#N)c1nc(-c2c(C)cc(C)cc2C)cs1)N1C(=O)c2ccccc2C1=O 2331394482 MAGLMDXQMNZBKT-UPCLLVRISA-N 485.609 6.239 50 10 JKGE COc1c(Cl)cc(-c2csc(C(C#N)=C(O)CCc3nc4ccccc4[nH]c3=O)n2)cc1Cl 2331397487 HYQRWMBFYUSKDO-UHFFFAOYSA-N 499.379 5.787 50 10 JKGE COc1c(Cl)cc(-c2csc(C(C#N)=C(O)COc3ccc(Cl)c(C)c3)n2)cc1Cl 2331397701 WGIQNRWLCLHEFL-UHFFFAOYSA-N 481.788 6.959 50 10 JKGE COc1ccc(Cl)cc1-c1csc(C(C#N)=C(O)c2cc([N+](=O)[O-])c(C)c([N+](=O)[O-])c2)n1 2331411713 FJDOCSMALWYRTA-UHFFFAOYSA-N 472.866 5.547 50 10 JKGE CCOc1cc(C=C(C#N)c2nc(-c3ccc(CC)cc3)cs2)cc(Br)c1O 2331417679 IMXYXXPAIWQEHY-UHFFFAOYSA-N 455.377 6.303 50 10 JKGE Cc1ccc(-c2csc(C(C#N)=Cc3cc(Br)cc(Br)c3O)n2)cc1 2331444171 UNNCFUYHGYTTRC-UHFFFAOYSA-N 476.193 6.413 50 10 JKGE CCCCCCCOc1ccc(-c2csc(C(C#N)=Cc3ccc(OCC)c(OCC)c3)n2)cc1 2331459738 QOORZDNVACALHS-UHFFFAOYSA-N 490.669 8.021 50 10 JKGE CCOc1cc(C=C(C#N)c2nc(-c3c(C)cc(C)cc3C)cs2)cc(Br)c1O 2331477488 VBAPEAVAQHOBFD-UHFFFAOYSA-N 469.404 6.666 50 10 JKGE Fc1cc(F)c([C@H](Cl)c2ccc(OCc3ccccc3)cc2Br)cc1Cl 2336080929 NXYKWTGNWWYKEW-HXUWFJFHSA-N 458.129 7.288 50 10 JKGE Cc1cc(Br)c(F)c(Br)c1[C@H](Br)[C@H]1CC[C@H](C)CC1 2339648427 LFNIVXLPTNPVPA-ZDSQKVDBSA-N 457.019 6.921 50 10 JKGE CC[C@]1([C@@H](Br)c2c(C)cc(Br)c(F)c2Br)CCCO1 2339653851 NLQNENUIQRFSAR-UONOGXRCSA-N 458.991 6.054 50 10 JKGE CCc1cc(Br)c(OC)c([C@H](Br)c2cnsc2Br)c1 2353032909 CPOVUHVISJQVGL-NSHDSACASA-N 470.024 5.723 50 10 JKGE Cc1cc(F)ccc1[C@H](Br)c1c(Cl)cc(Br)c(F)c1Br 2362228408 CSVARLGGTAAEOV-LBPRGKRZSA-N 489.379 6.936 50 10 JKGE Cc1cc(Br)c(F)c(Br)c1[C@H](Br)[C@@H]1CC12CCCCC2 2365188835 ORORQGSSDHDRCX-GXFFZTMASA-N 469.030 7.066 50 10 JKGE COc1c(Br)cc(C)c([C@H](Br)C[C@@H]2CO[C@H](C)C2)c1Br 2365191322 MYBKXCBFFZQCMX-GMTAPVOTSA-N 471.027 5.780 50 10 JKGE COc1c(Br)cc(C)c([C@@H](Br)CC[C@H]2CC2(C)C)c1Br 2365232641 CSNVBOLOJFYKJG-QWRGUYRKSA-N 469.055 6.791 50 10 JKGE COc1cc(C)c([C@@H](Cl)c2ccc(Cl)cc2I)cc1Br 2365597766 KDPUDSNPXXDMQN-HNNXBMFYSA-N 485.974 6.352 50 10 JKGE COc1cc([C@H](Br)c2cc(I)cc3c2OCC3)sc1Cl 2365830428 QRSGHFTXYNRXFQ-GFCCVEGCSA-N 485.568 5.434 50 10 JKGE Fc1ccc([C@@H](Br)CCc2cc(Cl)cc(Cl)c2)c(I)c1 2366888352 ITUDOPGBAYOJMA-AWEZNQCLSA-N 487.965 6.806 50 10 JKGE Cc1cc(Cl)c([C@H](Br)c2cc(Cl)c(Br)cc2F)c(Cl)c1 2381299092 IDNCGONMHFRNMV-CQSZACIVSA-N 461.383 7.341 50 10 JKGE COc1cc(/C=C(/C#N)S(=O)(=O)c2ccccc2)cc(Br)c1OCc1ccccc1 33475737 VMLOUNIDFPUORF-NDENLUEZSA-N 484.371 5.375 50 10 JKGE N#C/C(=C\c1ccc(N2N=C(c3ccccc3)C[C@H]2c2ccccc2)cc1)c1n[nH]c(N)c1C#N 33568793 GILSZWQPYHYMGD-MEVAHUFZSA-N 455.525 5.283 50 10 JKGE CCCCOC(=O)c1c(NC(=O)/C(C#N)=C\c2cn[nH]c2-c2ccccc2)sc2c1CCCC2 33704324 OISDPYFJNVEHAL-JXAWBTAJSA-N 474.586 5.520 50 10 JKGE CCCOc1cccc(-c2nn(-c3ccccc3)cc2/C=C(/C#N)C(=O)NCc2ccco2)c1 35446595 MUSWSSGRJZMDLQ-QNGOZBTKSA-N 452.514 5.144 50 10 JKGE CCCCOc1cccc(C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@@H]3c2ccc(C(C)(C)C)cc2)c1 38649838 WKVSGFJWVXAQGV-MUUNZHRXSA-N 496.607 6.600 50 10 JKGE Cc1cccc(C)c1OCC(=O)Oc1ccc2c(c1)OC(N)=C(C#N)[C@@H]2c1cccc(Cl)c1 38651193 ZIPAGZIYVMXLMS-XMMPIXPASA-N 460.917 5.159 50 10 JKGE CCCCCOc1ccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4ccccc4C)ccc32)cc1 38685272 PLZLEUPHVREGDT-HHHXNRCGSA-N 468.553 6.001 50 10 JKGE O=C(NNc1ncnc(Nc2ccc(/N=N/c3ccccc3)cc2)c1[N+](=O)[O-])c1ccccc1 40645892 WDVFHPLEIQYHCF-BYYHNAKLSA-N 454.450 5.301 50 10 JKGE COc1ccccc1C(=O)N/N=C1\CCCc2oc(C(=O)Oc3cccc4ccccc34)c(C)c21 40813219 MZFMLQVLIHTSLQ-XHLNEMQHSA-N 468.509 5.439 50 10 JKGE Cc1c(C(=O)Nc2cccc(Cl)c2)oc2c1/C(=N/NC(=O)c1cccc3ccccc13)CCC2 40813602 KOLPFCAOIFZPKJ-JBASAIQMSA-N 471.944 6.117 50 10 JKGE Cc1c(C(=O)Oc2ccc3ccccc3c2)oc2c1/C(=N/NC(=O)Cc1ccc([N+](=O)[O-])cc1)CCC2 40814561 XZMBXXYOJQKCFV-BYNJWEBRSA-N 497.507 5.268 50 10 JKGE Cc1ccccc1C(=O)N/N=C1\C(=O)N(Cc2ccccc2Cl)c2ccc(Br)cc21 40846213 XRYNDHBFBKRVRE-QLYXXIJNSA-N 482.765 5.092 50 10 JKGE CCCCCCOc1ccc(/C=N/NC(=O)CSc2nnc(-c3ccccc3)s2)cc1 40947784 MUJFHFAPDVIQJN-LFVJCYFKSA-N 454.621 5.407 50 10 JKGE C=CCc1cc(/C=N/NC(=O)c2cc3cc(Br)ccc3o2)cc(OCC)c1OCC 59303554 MDQDBDALEMTKCN-AFUMVMLFSA-N 471.351 5.485 50 10 JKGE O=C(CSCc1ccc(Br)cc1)N/N=C/c1ccc(-c2ccc(Cl)cc2)o1 59379042 IEHZWUAQSMEFTM-FOKLQQMPSA-N 463.784 5.746 50 10 JKGE O=C(N/N=C/c1cn(-c2ccccc2)nc1-c1ccc(Cl)cc1)c1ccccc1Br 59464248 NXVCVTCAODMENP-VULFUBBASA-N 479.765 5.719 50 10 JKGE CC(C)(C)c1ccc(OCCn2cc(/C=C(/C#N)C(=O)NC[C@@H]3CCCO3)c3ccccc32)cc1 96577101 AKGNNEXWRPEZRC-UWXJSXIPSA-N 471.601 5.220 50 10 JKGE CC1=C(C#N)C(=O)N(CCc2ccccc2)C(=O)/C1=C/c1ccc(OCc2ccc(Cl)cc2)cc1 101338277 DFXULNIQWZGYTQ-YZSQISJMSA-N 482.967 5.754 50 10 JKGE CCCCCCOC(=O)c1ccccc1N/C=C(/C#N)c1nc(-c2ccc(Cl)cc2)cs1 102421204 GTKLIYUNXLOLCV-MNDPQUGUSA-N 466.006 7.177 50 10 JKGE BrC[C@H](CCOc1ccc(Br)cc1)c1cccc(Br)c1 118859479 YBTMFDVZRDXTEK-ZDUSSCGKSA-N 463.007 6.159 50 10 JKGE COc1ccc(C[C@H](CBr)c2cccc(Br)c2)cc1Br 118859503 FFVLMVVNDUCCKS-CYBMUJFWSA-N 463.007 5.941 50 10 JKGE Cl[C@H](c1cc(Br)c(Br)s1)c1ccc(Br)c2ccccc12 128571063 UXTCUEPQBLGDGO-AWEZNQCLSA-N 495.461 7.517 50 10 JKGE CCCCc1ccc([C@@H](Br)c2cc(Br)c(Br)s2)cc1 128862969 BCORVLRBPZTQTK-CQSZACIVSA-N 467.064 7.100 50 10 JKGE CCOc1ccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)/C=C\c4ccc(C)cc4)ccc32)cc1OCC 205653074 MFCIATNSNUQVHA-VDFQKTSZSA-N 496.563 5.629 50 10 JKGE CC(C)c1cc(Br)ccc1Oc1cc(Br)ccc1CBr 218356533 SRXAVNBDIWYAOH-UHFFFAOYSA-N 463.007 7.022 50 10 JKGE Cc1ccc(Br)cc1[C@@H](Br)c1cc(Br)c(Cl)s1 227844756 KJJYFVDAXBOUAH-LLVKDONJSA-N 459.428 6.719 50 10 JKGE Brc1cc2c(c([C@@H](Br)c3ccc(Br)s3)c1)OCC2 228443999 HYPMERRDVTUWPR-GFCCVEGCSA-N 452.993 5.692 50 10 JKGE Clc1c(Br)cccc1[C@@H](Br)c1cc(Br)cc2c1OCC2 228444575 GLILNRIANIJDBA-CYBMUJFWSA-N 481.409 6.284 50 10 JKGE CCCOc1ccc(C=NNC(=O)c2cc(-c3ccccc3OC)nc3ccccc23)cc1OC 252616973 KJVRVVFTGGGIRM-UHFFFAOYSA-N 469.541 5.472 50 10 JKGE Cc1cc([C@@H](Br)c2cc3c(cc2Br)OCC3)ccc1Br 308412559 HJQYNJXTHWRFAY-MRXNPFEDSA-N 460.991 5.939 50 10 JKGE C[C@@H](Cl)c1nc2cc(I)ccc2n1Cc1coc(Br)c1 378896814 COHGHPJCECEWMR-MRVPVSSYSA-N 465.516 5.345 50 10 JKGE Cn1ncc([C@@H](Br)c2cc(Br)c(Br)s2)c1Br 379202128 ILAAVRWXQLWNSZ-SSDOTTSWSA-N 493.844 5.253 50 10 JKGE CC(C)(C)CCOCC(CBr)(CBr)c1ccccc1Br 380820385 BNVSNEPYNFDCEA-UHFFFAOYSA-N 471.071 5.930 50 10 JKGE CC(C)(C)OC(=O)N1C[C@H](c2ccc(Cl)c(Br)c2)[C@@H](CBr)C1 382678920 ABQDOLOUXWYVAF-NWDGAFQWSA-N 453.602 5.448 50 10 JKGE Fc1cc2nc(CCCl)n(C[C@H]3CCCN3Cc3ccccc3)c2cc1Br 390542437 RYVJWAAZUSWTQY-MRXNPFEDSA-N 450.783 5.384 50 10 JKGE CC(C)(C)[Si](C)(C)OCCc1ccc([C@H]2CCCN(CCO[Si](C)(C)C(C)(C)C)CC2)cc1 616600172 FXTCNVKWXPBPAB-VWLOTQADSA-N 491.909 7.842 50 10 JKGE Fc1ccc([C@@H](Cl)c2cc(Br)cc(Br)c2)c(F)c1Br 691541721 ONHPAILYBRCRGV-LBPRGKRZSA-N 475.352 6.581 50 10 JKGE Cc1cc(Br)c([C@@H](Cl)c2nn(C)cc2Br)cc1Br 693106485 IVMHVKAUHUDBJP-LLVKDONJSA-N 457.391 5.344 50 10 JKGE O=[N+]([O-])c1ccccc1C[C@H](Br)c1scc(Br)c1Br 705493566 UGLKKVIFWURLKZ-QMMMGPOBSA-N 469.980 5.860 50 10 JKGE FC(F)(F)c1csc([C@H](Br)c2occc2Br)c1Br 711283955 FLSQJMUYFJGDQL-SSDOTTSWSA-N 468.914 6.369 50 10 JKGE Fc1cc2c(cc1I)nc(CCl)n2C1CC(OCc2ccccc2)C1 716297996 VHZIOWBYHLPJJR-UHFFFAOYSA-N 470.713 5.439 50 10 JKGE ClCc1cc(Br)c(OCc2sncc2Br)c(Br)c1 719818731 NBFAJZADTIFVOT-UHFFFAOYSA-N 476.415 5.748 50 10 JKGE C[C@@H]1Cc2cc(Br)cc([C@H](Br)c3csc(Br)c3)c2O1 720033174 NUUMRHGEIQWWSG-FUXBKTLASA-N 467.020 6.081 50 10 JKGE Cc1cc(C=NNC(=O)C(=O)Nc2cccc3ccccc23)c(C)n1-c1ccc(Br)cc1 1083888955 JRVNKAHDSQZXON-UHFFFAOYSA-N 489.373 5.099 50 10 JKGE CCOc1cc(C=NNC(=O)c2ccc(O)cc2)ccc1OC(=O)c1sc2ccccc2c1Cl 1083950841 AITCFKSJDUQLSB-UHFFFAOYSA-N 494.956 5.642 50 10 JKGE Cc1ccc(C=NNC(=O)COc2ccc3cc(Br)ccc3c2Br)s1 1084103364 GMCIGSMRVJZOQE-UHFFFAOYSA-N 482.197 5.264 50 10 JKGE CCOc1cc(C=NNC(=O)c2ccc([N+](=O)[O-])cc2)ccc1OCc1cccc2ccccc12 1084281731 ISOUOHNKJXCOMR-UHFFFAOYSA-N 469.497 5.490 50 10 JKGE C=CCc1cc(/C=C(\C#N)C(=O)Nc2cccc(Cl)c2Cl)ccc1OCc1cccc(C)c1 1084362611 AAJGUSXVVCCGMR-PXLXIMEGSA-N 477.391 7.155 50 10 JKGE Cc1cc(C=NNC(=O)CSCc2cccc(Br)c2)c(C)n1-c1ccccc1F 1084399781 JTWYLAFWCWOANS-UHFFFAOYSA-N 474.399 5.379 50 10 JKGE C=CCc1cc(C=NNC(=O)c2cc3ccccc3o2)cc(OCC)c1OCc1ccc(Cl)cc1 1084531784 MYHSQXKFXKWYMP-UHFFFAOYSA-N 488.971 6.556 50 10 JKGE CN(C)c1ccc([C@H]2C(C#N)=C(N)Oc3c2c(-c2ccccc2)nn3Cc2ccc(Cl)cc2)cc1 1865683002 CQRNTOCMEICDQL-DEOSSOPVSA-N 481.987 5.536 50 10 JKGE COc1cccc([C@@H]2C(C#N)=C(N)Oc3c2c(-c2ccccc2)nn3-c2ccccc2Cl)c1O 1865684815 ZCBCFMMNRSIISJ-OAQYLSRUSA-N 470.916 5.125 50 10 JKGE C=CCOc1ccccc1[C@H]1C(C#N)=C(N)Oc2c1c(-c1ccccc1)nn2-c1cccc(Cl)c1 1865690862 CWQCMZVSPQJPNT-DEOSSOPVSA-N 480.955 5.976 50 10 JKGE CCCOc1ccccc1[C@H]1C(C#N)=C(N)Oc2c1c(C(F)(F)F)nn2-c1ccc(C)cc1 1865703082 MSLISSUMEZSWKK-IBGZPJMESA-N 454.452 5.207 50 10 JKGE CCN(Cc1ccccc1)c1ccc([C@H]2C(C#N)=C(N)Oc3c2c(C)nn3-c2cccc(Cl)c2)cc1 1865707543 YYYXELOVWKBOCG-MHZLTWQESA-N 496.014 6.079 50 10 JKGE N#CC1=C(N)Oc2c(c(-c3ccccc3)nn2Cc2cccc(Cl)c2)[C@@H]1c1ccc(O)c([N+](=O)[O-])c1 1865715140 XATUIKNREDFKRZ-JOCHJYFZSA-N 499.914 5.084 50 10 JKGE CC[C@](C)(NC(=O)C[C@@H](c1ccccc1)c1cccc(F)c1)C(=O)Nc1ccc(SC#N)cc1 1866783219 PWRPWRLUDWGCAW-IGKIAQTJSA-N 475.589 5.844 50 10 JKGE Cc1nc(Nc2ccc(SC#N)cc2)cc(N2CCc3cc4c(cc3[C@@H]2c2ccccc2)OCO4)n1 1868480950 XFRISFXHAJTLRS-NDEPHWFRSA-N 493.592 5.983 50 10 JKGE CCc1ccc(-c2csc(/C(C#N)=C(O)/C=C/c3ccc(OCc4ccccc4Cl)cc3)n2)cc1 1872744580 ZAYSHYSBQWNREZ-OUYBDXKWSA-N 499.035 8.111 50 10 JKGE N#C/C(=C(/O)CCN1C(=O)c2ccccc2C1=O)c1nc(-c2ccc3c(c2)CCCC3)cs1 1872745386 KRVPDGIETBFAOX-LNVKXUELSA-N 455.539 5.168 50 10 JKGE N#C/C(=C(/O)c1ccc(N2C(=O)c3ccccc3C2=O)cc1)c1nc(-c2ccc(Cl)cc2)cs1 1872748278 QMMGBWHMPOTCLE-LNVKXUELSA-N 483.936 6.214 50 10 JKGE COc1ccc(/C=C(C(/O)=C(\C#N)c2nc(-c3cc(C)ccc3C)cs2)\c2ccccc2)cc1 1872749890 MAMRWMQXDKURQU-KUEQOBMBSA-N 464.590 7.469 50 10 JKGE COc1ccc(CCN2C(=O)c3ccc(/C(O)=C(\C#N)c4nc(C(C)C)cs4)cc3C2=O)cc1 1872750200 BBEYGONJCVVLBP-LNVKXUELSA-N 473.554 5.064 50 10 JKGE CC(C)(C)c1ccc(-c2csc(/C(C#N)=C(\O)CCCCCNC(=O)c3ccccc3)n2)cc1 1872751013 PVCKCSAWUSYLOY-BZZOAKBMSA-N 473.642 6.891 50 10 JKGE Cc1cc(C)c(C)c(-c2csc(/C(C#N)=C(\O)[C@@H]3CC(=O)N(Cc4ccccc4)C3)n2)c1C 1872754064 ATUTYHYPEOOJCB-LXAYZEPESA-N 457.599 5.885 50 10 JKGE CCOc1cc(/C=C(\C#N)c2nc(-c3ccccc3)cs2)ccc1OCC(=O)N(CC)CC 1872790207 RRRPQJQZCCALSA-KGENOOAVSA-N 461.587 5.520 50 10 JKGE COc1cc(-c2csc(/C(C#N)=C/c3cc(Cl)c(O)c(OC)c3)n2)c(OC)cc1Cl 1872793486 CEOMQPSVOQOVLZ-UUILKARUSA-N 463.342 5.912 50 10 JKGE CCCOc1ccc(-c2csc(/C(C#N)=C(\O)c3cccc(Br)c3)n2)cc1OCCC 1872818301 WHTZYMLRPMAICY-NMWGTECJSA-N 499.430 7.100 50 10 JKGE C[C@@H](Cl)CN(Cc1ccccc1)C(=O)c1scc(Br)c1Br 1914606810 CFJMJWFOCPJOOO-SNVBAGLBSA-N 451.611 5.543 50 10 JKGE COc1cc(Br)ccc1C(=O)N(Cc1ccccc1)[C@@H](CBr)C1CC1 1915265081 NUADWWUWNFVBBU-SFHVURJKSA-N 467.201 5.274 50 10 JKGE C[C@@H]1CN(Cc2ccccc2)C[C@@H](C)N(c2ccc(CBr)c(Br)c2)C1 1921462683 GUHLOPUAGXYDQU-IAGOWNOFSA-N 466.261 5.691 50 10 JKGE CCCCCCCCC[C@@H](Br)c1sc(Br)cc1Br 1922945224 DNMJQGIMXJQAFP-LLVKDONJSA-N 461.101 7.850 50 10 JKGE Cc1ccc([C@H](Br)c2sc(Br)c(C)c2Br)cc1C 1922945369 FQZSMJDKQNNAKC-LBPRGKRZSA-N 453.037 6.683 50 10 JKGE Cc1cc([C@H](Br)[C@@H](C)c2ccncc2Br)sc1Br 1924033997 WVICCIBENZGNAH-QPUJVOFHSA-N 454.025 6.216 50 10 JKGE Brc1sc(Br)c([C@@H](Br)C2CC2)c1Br 1924575550 BVMYQVXSBAYIHB-YFKPBYRVSA-N 453.819 5.882 50 10 JKGE Cc1cc([C@H](Cl)c2c(Cl)sc(Br)c2Cl)sc1Br 1925569692 WQDKASFMGZQCLO-LURJTMIESA-N 455.451 7.278 50 10 JKGE CCC(CC)C[C@@H](Br)c1c(Br)sc(Br)c1Br 1926355628 RCHRHWBDQJWHKJ-SSDOTTSWSA-N 497.916 7.298 50 10 JKGE Clc1ccc(I)c(CC[C@H](Br)COCc2ccccc2)c1 1934526183 RVSGXOHSGWJFKP-HNNXBMFYSA-N 479.583 5.858 50 10 JKGE CN(CCN(Cc1ccccc1)S(=O)(=O)c1ccc(CCl)cc1Cl)Cc1ccccc1 1946825582 APSCFDOOIYUCHC-UHFFFAOYSA-N 477.457 5.402 50 10 JKGE Cc1cc(Br)sc1[C@@H](Br)c1cc(Br)c(Cl)s1 1981401861 PJULOXOZLKFDKC-QMMMGPOBSA-N 465.457 6.781 50 10 JKGE COc1sc([C@H](Br)c2ccc(C)cc2Br)cc1Br 2034629828 QNIJDWQCKVBJTI-GFCCVEGCSA-N 455.009 6.074 50 10 JKGE Cc1c([C@@H](Br)c2c(Cl)sc(Br)c2Cl)c(Br)nn1C 2067854104 AUMXATPBKYNUBE-ZCFIWIBFSA-N 497.865 6.106 50 10 JKGE Fc1ccc(C(F)(F)F)cc1Cn1nc(CBr)c(Br)c1C(F)(F)F 2079233546 YMBKDBHFNKLEQV-UHFFFAOYSA-N 484.007 5.766 50 10 JKGE Cc1cc(F)c(Cl)cc1[C@H](Br)c1csc(Br)c1Br 2081930890 YVPKNYCDEMASNB-JTQLQIEISA-N 477.418 6.858 50 10 JKGE Clc1c(Br)cccc1[C@@H](Cl)c1ccc(Br)cc1Br 2083329215 BBCXTHQSOGRULB-LBPRGKRZSA-N 473.817 6.956 50 10 JKGE Fc1cc(Cl)c([C@@H](Br)c2cccc(Br)c2Br)cc1F 2092328018 HXXVYCZYZIVLJS-LBPRGKRZSA-N 475.352 6.628 50 10 JKGE Clc1cccc(OCc2c(Br)cccc2Br)c1CBr 2094091548 VIFWXEHEUIWWHA-UHFFFAOYSA-N 469.398 6.339 50 10 JKGE Fc1ccc([C@H](Br)c2c(Br)cccc2Br)c(F)c1Cl 2094099100 JZPSXZQIPUULCE-NSHDSACASA-N 475.352 6.628 50 10 JKGE Cc1cc(Br)c([C@@H](Br)CC2CC3(CCC3)C2)cc1Br 2099308833 RNDXBDPKTLLMTM-HNNXBMFYSA-N 451.040 6.926 50 10 JKGE Cc1cc([C@@H](Cl)c2cc(I)cc3c2OCC3)c(Br)s1 2101015738 ZNYOHJLZDFZGFB-LBPRGKRZSA-N 469.569 5.687 50 10 JKGE C[C@@H](Cl)c1nc2cc(Cl)c(Br)cc2n1CCCCOCc1ccccc1 2112697687 VZUJQYYUGMIVKR-CQSZACIVSA-N 456.211 6.749 50 10 JKGE O=C(c1csc(Br)c1Br)N1C[C@@H](Br)C2(CCCC2)C1 2117755652 IAROTZZWHZVEJR-SECBINFHSA-N 472.040 5.053 50 10 JKGE CC(C)[C@H](Cl)c1cn(-c2c(Br)cc(Br)cc2Br)nn1 2121072188 GBZDOXWRNLFXPV-NSHDSACASA-N 472.406 5.491 50 10 JKGE Cc1c(Br)ccc([C@@H](Br)[C@H]2CC3(CCC3)CO2)c1Br 2138870054 GAVMQLPQRUJZAO-TZMCWYRMSA-N 453.012 5.915 50 10 JKGE Clc1cc2c(c([C@@H](Br)c3c(Br)cccc3Br)c1)OCC2 2150495349 WREPCKWXRALPKP-CQSZACIVSA-N 481.409 6.284 50 10 JKGE Fc1c(Br)ccc(Oc2c(CBr)ccc(Br)c2Cl)c1F 2154374456 XBKJJSXQXNRZBT-UHFFFAOYSA-N 491.351 6.830 50 10 JKGE Cc1cc(Br)c(CBr)c(Oc2cc(F)c(Br)cc2Cl)c1 2173448893 FGPRZBJRFSSRCW-UHFFFAOYSA-N 487.388 7.000 50 10 JKGE FC1(F)C2(CC2)C12CC(CBr)(Cc1ccc(I)cc1)C2 2183934052 OPROOAGNIPQSMC-UHFFFAOYSA-N 453.108 5.424 50 10 JKGE FCCOc1cccc([C@@H](Br)c2cc(Br)ccc2Br)c1 2189519854 ZUYUHXHYMHUKFA-OAHLLOKOSA-N 466.970 6.044 50 10 JKGE Clc1ccc(Br)c(CO[C@@H](CI)c2ccccc2Cl)c1 2200755184 WOQBRANWLLDJPB-HNNXBMFYSA-N 485.974 6.449 50 10 JKGE COc1cc(F)c([C@H](Br)Cc2cccc(Br)c2)cc1Br 2202903197 AQLKROJWARUQTG-GFCCVEGCSA-N 466.970 6.038 50 10 JKGE Br[C@@H](c1ccc(-c2ccccc2)s1)c1ccccc1I 2206136956 XMQKJIBMNBKSKP-QGZVFWFLSA-N 455.158 6.504 50 10 JKGE Cn1ncc(Cl)c1[C@@H](Br)c1cc(Br)c(Br)cc1F 2218596980 IRSQFBGBPFITQM-JTQLQIEISA-N 461.354 5.222 50 10 JKGE Cc1cc(Br)c([C@H](Br)[C@@H]2CC(C)(C)CO2)c(C)c1Br 2227354009 VQTLZIOSZQRPNX-SMDDNHRTSA-N 455.028 6.080 50 10 JKGE Cc1cc(Br)c([C@H](Br)[C@@H]2CCC[C@H]3C[C@H]32)c(C)c1Br 2227359474 ILBVSUFSSDLFPS-XSUJLISDSA-N 451.040 6.701 50 10 JKGE COc1cc(Br)c([C@H](Br)c2ccccc2OCc2ccccc2)cc1C 2227728547 WESWTVBLXQAQCQ-JOCHJYFZSA-N 476.208 6.829 50 10 JKGE CCc1nn(C)c([C@@H](Br)c2cc(Br)ccc2Br)c1Cl 2232171348 DJYRPXZEDNFCDC-NSHDSACASA-N 471.418 5.645 50 10 JKGE Fc1cccc([C@@H](Br)c2c(Br)cc(Cl)c(Cl)c2Cl)c1Cl 2232511725 LICGATSCCGLUCD-SNVBAGLBSA-N 481.801 7.686 50 10 JKGE Clc1cc(Br)c([C@H](Br)[C@H]2CC3(CCC3)CO2)c(Cl)c1Cl 2232512486 NJGWMEYSFHBTCZ-MWLCHTKSSA-N 463.424 6.805 50 10 JKGE Clc1cc(Br)c([C@@H](Br)[C@@H]2CCCC3(CC3)C2)c(Cl)c1Cl 2232518004 YPAOKDBQVQKNLE-PELKAZGASA-N 461.452 7.816 50 10 JKGE Fc1cc(Br)c(Br)cc1[C@@H](Br)c1scc2c1CCCC2 2233975600 KNOUUQJVIFNRIA-CQSZACIVSA-N 483.038 6.775 50 10 JKGE Cc1sc([C@H](Br)c2cc3c(cc2Br)NC(=O)C3)cc1Br 2234476549 YQTBRRDZBMFWNJ-CQSZACIVSA-N 480.019 5.560 50 10 JKGE COc1cc(Br)c([C@@H](Br)c2c(Br)c(C)nn2C)cc1C 2236014801 NHVRCIHTODPYOS-CYBMUJFWSA-N 466.999 5.055 50 10 JKGE Fc1cc([C@H](Br)c2cc(Cl)c(Br)s2)c(F)cc1Br 2255679004 DWWHKPOPASORLP-JTQLQIEISA-N 481.381 6.689 50 10 JKGE CC1([C@H](Br)c2c(F)cc(Br)c(F)c2Br)CC(F)C1 2260065755 OCSBZFFVCXMBKC-RVUVVNSJSA-N 450.918 6.064 50 10 JKGE Cc1cc(Br)c([C@H](Br)[C@@H]2COC3(CCC3)C2)cc1Br 2269308105 QHVGEJXAKXPHPT-IINYFYTJSA-N 453.012 5.915 50 10 JKGE CC(C)CN(C[C@@H](C)Br)C(=O)c1cccc(Br)c1Br 2272462966 QNLYAZKIOCWRON-SNVBAGLBSA-N 456.016 5.093 50 10 JKGE O=C1Cc2cc([C@H](Br)c3scc(Br)c3Cl)c(Cl)cc2N1 2279284037 SWYXURQCTREQIT-NSHDSACASA-N 455.986 5.796 50 10 JKGE C[C@H]1Cc2cc([C@H](Cl)c3scc(Br)c3Cl)cc(Br)c2O1 2279286112 BXNKPYCQUPBVCH-KGFZYKRKSA-N 457.014 6.578 50 10 JKGE Cc1c(Br)ccc([C@@H](Br)[C@H]2CC(F)(F)C23CCC3)c1Br 2280859725 UZKGDNDCCZUDEU-ZWNOBZJWSA-N 472.993 6.782 50 10 JKGE C[C@@H]1C[C@H]1CCCCO[C@@](C)(CI)c1ccccc1Br 2284094807 HOERVBRLALIFSQ-CPUCHLNUSA-N 451.186 5.942 50 10 JKGE COc1cccc(C[C@@H]2SC(=C(C#N)C(=O)Nc3ccccc3)N(c3ccccc3C)C2=O)c1 2296507251 ZYAUVZHLDAJQPT-DEOSSOPVSA-N 469.566 5.069 50 10 JKGE CCCCCCCCOc1ccc(C=C(C#N)c2nc(-c3ccc(Br)cc3)cs2)cc1 2297315516 FJXKDRQIHLPHJW-UHFFFAOYSA-N 495.486 8.376 50 10 JKGE C[C@H](C[C@@H](Br)c1cc(Br)ccc1OCc1ccccc1)C(C)(C)C 2299499972 BEMMWDBLWBFZHY-DNVCBOLYSA-N 454.246 7.536 50 10 JKGE COc1sccc1[C@H](Br)c1ccc(OCc2ccccc2)cc1Br 2299508504 JWTDIHFVBYYRMB-GOSISDBHSA-N 468.210 6.583 50 10 JKGE CC(C)[C@@H]1CCc2c(Br)cc(OCc3ccccc3)cc2[C@@H](Br)C1 2299517469 KWWUCSQIVZYDEM-UZLBHIALSA-N 452.230 7.073 50 10 JKGE CC1(C)C[C@H]([C@H](Br)c2ccc(OCc3ccccc3)cc2Br)CO1 2299529362 AYHORTRADMFZKC-KXBFYZLASA-N 454.202 6.279 50 10 JKGE CCn1cc(Br)c([C@@H](Cl)c2sc(Cl)cc2I)n1 2300950345 ZFZGFRPNCCZUGI-MRVPVSSYSA-N 465.969 5.313 50 10 JKGE Cc1ccc([C@H](Cl)c2sc(Cl)cc2I)cc1Br 2300954786 BZHDPFKDXAFEJS-NSHDSACASA-N 461.977 6.405 50 10 JKGE C[C@@H]1CC[C@H](Br)[C@H](Cc2ccc(I)c(Br)c2)C1 2306199617 OGWKQZYGYZGPNU-USWWRNFRSA-N 472.002 5.796 50 10 JKGE Cc1ccc(CN(Cc2ccccc2)[C@@H](CBr)C2CC2)c(O)c1Br 2307565336 MAMDTGKRLWYRDL-SFHVURJKSA-N 453.218 5.639 50 10 JKGE N#CC(=Cc1ccc(-c2ccc(C34CC5CC(CC(C5)C3)C4)cc2[N+](=O)[O-])o1)C(=O)Nc1ccccc1 2313548807 GGAOWCOEQCKKCP-UHFFFAOYSA-N 493.563 6.868 50 10 JKGE Cc1ccc(-c2csc(C(C#N)=Cc3ccccc3OCC(=O)Nc3ccccc3)n2)cc1 2314488090 IUWOZBOINBTPGU-UHFFFAOYSA-N 451.551 6.200 50 10 JKGE CCCOc1ccccc1[C@H]1C(C#N)=C(N)Oc2cc(OC(=O)C=Cc3ccc(Cl)cc3)ccc21 2314634327 DIJNNOPXBPOPNL-HHHXNRCGSA-N 486.955 5.966 50 10 JKGE COc1cc(C=C(C#N)c2cccc(Cl)c2)ccc1OC(=O)c1ccc(Cl)c(Cl)c1 2320506814 SBPVESBPFJHHCD-UHFFFAOYSA-N 458.728 6.939 50 10 JKGE CC(C)C[C@H](NC(=O)OC(C)(C)C)C(=O)NN=Cc1ccc(OCc2c(F)cccc2Cl)cc1 2328824703 YSFUXCXXRJWLFO-QFIPXVFZSA-N 491.991 5.448 50 10 JKGE CCc1ccc(C(C)=CC(=O)N[C@H](CCSC)C(=O)Nc2ccc(SC#N)cc2)cc1 2329521069 ZDRWYPXANPKBCX-JOCHJYFZSA-N 453.633 5.102 50 10 JKGE CCCCCCCCCOc1ccc(C=C(C#N)c2ccc(C(=O)OC(C)C)o2)cc1OCC 2331049655 AKKGRMXAELVPAS-UHFFFAOYSA-N 467.606 7.437 50 10 JKGE COc1ccc(-c2csc(C(C#N)=C(O)[C@@H](C)Oc3ccc(C(C)C)cc3)n2)cc1OC 2331242488 HQCGJEQTKYGRFQ-MRXNPFEDSA-N 450.560 6.211 50 10 JKGE COc1cc(C(O)=C(C#N)c2nc(-c3ccc(Cl)cc3Cl)cs2)cc(OC)c1OC 2331250701 VWUWXYDYRRMICT-UHFFFAOYSA-N 463.342 6.093 50 10 JKGE COc1ccc(OC)c(C=CC(O)=C(C#N)c2nc(-c3ccc(Cl)cc3Cl)cs2)c1 2331254626 HGKNARNWJIIYRP-UHFFFAOYSA-N 459.354 6.640 50 10 JKGE N#CC(=C(O)c1cccc(Br)c1)c1nc(-c2ccc(Oc3ccccc3)cc2)cs1 2331358842 UGUDFMMMRZUQFJ-UHFFFAOYSA-N 475.367 7.315 50 10 JKGE COc1cc(C=C(C#N)c2nc(-c3ccc(C)cc3)cs2)ccc1OCCCc1ccccc1 2331444078 JCJIMFLLLDKEDY-UHFFFAOYSA-N 466.606 7.203 50 10 JKGE COc1ccc(C(C)(C)C)cc1-c1csc(C(C#N)=Cc2cc3c(cc2[N+](=O)[O-])OCCO3)n1 2331462655 ADHPMMXXFHKSFS-UHFFFAOYSA-N 477.542 5.860 50 10 JKGE Fc1cc(Br)c(Br)cc1[C@@H](Br)[C@H]1CC[C@@H]2C[C@H]1CO2 2334115174 GIGNQAKEORNZII-KSCJFIISSA-N 456.975 5.602 50 10 JKGE Cc1ccc(F)c([C@@H](Br)c2ccc(OCc3ccccc3)cc2Br)c1F 2336052003 XCRQZUJQAPAXDR-FQEVSTJZSA-N 482.162 7.099 50 10 JKGE Brc1ccc(OCc2ccccc2)c([C@H](Br)[C@@]23CCCC[C@@H]2CCC3)c1 2336052129 YDFDTOZDKRJGGU-YFXJRYMSSA-N 478.268 7.825 50 10 JKGE FC1(F)[C@H]2C[C@](CBr)(Cc3ccc(Cl)c(I)c3)C[C@H]21 2337222856 DTPKGZWFTMRYAJ-IWIIMEHWSA-N 461.515 5.544 50 10 JKGE ClC[C@@H](Cc1ccc(Cl)c(I)c1)c1cccc(Br)c1 2337226373 XWYBQRVDBLRNBA-GFCCVEGCSA-N 469.975 6.272 50 10 JKGE CCCc1sc(Br)cc1[C@@H](Br)c1cc(F)cc(Br)c1 2338024633 WSDTXSPDVBABQP-AWEZNQCLSA-N 471.027 6.849 50 10 JKGE Cc1c(F)ccc([C@H](Br)c2cc(Br)ccc2Br)c1Cl 2338563187 IOGYKVBMGNVMBL-ZDUSSCGKSA-N 471.389 6.797 50 10 JKGE CO[C@@H]1C[C@]2([C@@H](Br)c3c(C)cc(Br)c(F)c3Br)C[C@@H]12 2339681539 JIPQGZJPHZRZBM-DXEMRZOKSA-N 456.975 5.520 50 10 JKGE Clc1ccc(CO[C@H]2C[C@H](Br)C23CCCC3)c(I)c1 2340110577 RHBNXKZGZSOLOC-KBPBESRZSA-N 455.561 5.557 50 10 JKGE Brc1cc2c(cc1[C@@H](Br)c1occc1Br)CCCO2 2343583843 GNTTTYNMGRYUNA-CYBMUJFWSA-N 450.952 5.614 50 10 JKGE Fc1cc([C@@H](Cl)c2ccc(OCc3ccccc3)cc2Br)c(Cl)cc1Cl 2351639340 BTCGYNHLSCWVGW-FQEVSTJZSA-N 474.584 7.802 50 10 JKGE CC1(C)C[C@@](C)(CBr)CN1Cc1cc(I)ccc1Cl 2352432699 WSUXPYAMEDELOA-HNNXBMFYSA-N 456.593 5.330 50 10 JKGE Cc1cc(Br)c([C@H](Br)C[C@H]2CCC[C@@H]3C[C@@H]32)c(C)c1Br 2358674469 YTRXINZENVTWBR-GUIRCDHDSA-N 465.067 7.091 50 10 JKGE Cc1c([C@@H](Cl)c2c(F)cc(Cl)c(Br)c2Cl)c(Br)nn1C 2360487717 XIDPJWVGYLEUQH-SNVBAGLBSA-N 465.375 6.028 50 10 JKGE CC(C)(C)C1CC([C@@H](Br)c2c(Cl)cc(Br)c(F)c2Br)C1 2362238218 UYETYNGSLVQPQZ-WZQIAMPNSA-N 491.464 7.512 50 10 JKGE Cc1cc(Br)c(F)c(Br)c1[C@H](Br)[C@@H]1CCCCC1(C)C 2365216109 QRQSWBLPCUNLBF-GXFFZTMASA-N 471.046 7.312 50 10 JKGE O=C(c1scc(Br)c1Br)N1CCC[C@@H](Cl)[C@@H]1C(F)(F)F 2370265123 AQEOZBYKTSJVIH-HZGVNTEJSA-N 455.521 5.047 50 10 JKGE CCOc1ccc(N/C(SCc2ccccc2Cl)=C(/C#N)C(=O)NCc2ccco2)cc1 3058882 FEUCTCHLFJZLPV-DARPEHSRSA-N 467.978 5.729 50 10 JKGE O=C(CCSc1ccc(Cl)cc1)N/N=C/c1ccccc1OCc1ccccc1Cl 3658266 QHQYOLPAFPDCAT-CVKSISIWSA-N 459.398 6.205 50 10 JKGE Cc1ccccc1CS/C(Nc1cc(Cl)ccc1C)=C(\C#N)S(=O)(=O)c1ccccc1 20325313 GFQADCBJOQTBMB-WCWDXBQESA-N 469.031 6.469 50 10 JKGE CCOC(=O)c1c(NC(=O)/C(C#N)=C/c2ccc(-c3ccc(Cl)cc3Cl)o2)sc(C)c1C 28287311 ULXONGGOKJWMQT-NTEUORMPSA-N 489.380 6.654 50 10 JKGE COc1cccc2cc(-c3nn(-c4ccccc4)cc3/C=C(\C#N)S(=O)(=O)c3ccccc3)oc12 33515864 ARXMIVSRJCCDLF-HZHRSRAPSA-N 481.533 5.632 50 10 JKGE ClCc1csc(COc2c(Br)cc(Br)cc2Br)n1 37303166 QUSLVZSASHHNFT-UHFFFAOYSA-N 476.415 5.748 50 10 JKGE CC(C)(C)c1ccc(OCC(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@H]3c2ccc(F)cc2)cc1 38652929 IBIWAFCRGBEDHX-SANMLTNESA-N 472.516 5.326 50 10 JKGE CCCCOc1cccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4ccc(OC)cc4)ccc32)c1 38685050 QYLFKCBVVBTVCJ-SANMLTNESA-N 470.525 5.311 50 10 JKGE C=CCOc1cccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4oc5ccc(F)cc5c4C)ccc32)c1 38701098 WDNBEJYVWKRCSE-SANMLTNESA-N 496.494 5.883 50 10 JKGE Cc1ccc(C(=O)N/N=C2\CCCc3oc(C(=O)Nc4cccc(C(F)(F)F)c4)c(C)c32)cc1 40804716 RIKDDECREMDIHU-NDZAJKAJSA-N 469.463 5.638 50 10 JKGE Cc1c(C(=O)Nc2ccc(Cl)c(Cl)c2)oc2c1/C(=N/NC(=O)Cc1ccccc1)CCC2 40815739 HQMRZWKUIJXDPH-TURZUDJPSA-N 470.356 5.546 50 10 JKGE Cc1c(C(=O)NN(c2ccccc2)c2ccccc2)oc2c1/C(=N/NC(=O)c1cccs1)CCC2 40823717 DRKLNIOGEPLDKG-SGWCAAJKSA-N 484.581 5.603 50 10 JKGE CCc1nn(C)c(COc2c(Cl)cc(Cl)cc2CBr)c1Br 91332906 VVKRAVIKHKJYKS-UHFFFAOYSA-N 456.993 5.526 50 10 JKGE CCC(COc1ccc(N=C=O)cc1)(COc1ccc(N=C=O)cc1)COc1ccc(N=C=O)cc1 95851616 XGTXSOCSVDGFNG-UHFFFAOYSA-N 485.496 5.522 50 10 JKGE CCN(CC)c1ccc(/C=N/NC(=O)c2ccccc2OCc2ccc(Br)cc2)cc1 96095877 SCOPRPYJCSBIBE-WPWMEQJKSA-N 480.406 5.638 50 10 JKGE COc1ccc(/C=C(/C#N)C(=O)Nc2cc(Cl)cc(Cl)c2)cc1OC(=O)c1ccccc1 98010046 MRCKGJSGOSWWTQ-MFOYZWKCSA-N 467.308 5.767 50 10 JKGE COc1ccc(C[C@H]2S/C(=C(\C#N)C(=O)Nc3ccc(Cl)cc3)N(c3ccccc3)C2=O)cc1 102666386 REEQEGFJEMWWAH-QPQMVVSWSA-N 489.984 5.414 50 10 JKGE CC(C)N(CC(=O)N1c2ccccc2-n2cccc2[C@H]1c1ccc(F)cc1)C(=O)C(Cl)Cl 103177328 FSQUILYSNBSXHW-JOCHJYFZSA-N 474.363 5.093 50 10 JKGE COc1c(Br)cc(Cl)cc1[C@H](Br)c1cc(F)cc(Br)c1 109836018 HAQBQKMMMDUJFJ-CYBMUJFWSA-N 487.388 6.497 50 10 JKGE COc1cc(C)c([C@@H](Br)c2csc(I)c2)cc1OC 124426222 OWZIURPVGJEHLY-AWEZNQCLSA-N 453.139 5.163 50 10 JKGE COc1cc([C@H](Br)c2ccc(Cl)cc2Cl)c(OC)cc1Br 134298390 LNBNTOIZEPNRRB-OAHLLOKOSA-N 454.973 6.257 50 10 JKGE COc1cc([C@H](Br)c2cccc(Br)c2Cl)c(OC)cc1Br 134300344 PHBZFVMFGQTWKD-CQSZACIVSA-N 499.424 6.367 50 10 JKGE Fc1cccc(C[C@H](CBr)Cc2ccccc2Br)c1Br 157905387 JNMBBBFMBIOMRF-LLVKDONJSA-N 464.998 6.147 50 10 JKGE FC(F)(F)c1ccc(Br)c([C@H](Cl)c2cc(Cl)c(Br)s2)c1 159846405 IGNHRXPUINIHIE-JTQLQIEISA-N 468.947 7.274 50 10 JKGE CCOc1cc(Cl)c([C@H](Br)c2cccc(F)c2Br)cc1Cl 164575338 PLRVQPHQPGCMER-CQSZACIVSA-N 456.964 6.778 50 10 JKGE CC(C)N1CC2=C(OC(N)=C(C#N)[C@@H]2c2ccccc2Cl)/C(=C\c2ccccc2Cl)C1 229785792 RZGCUOJSWGLQEA-LYQKSFCXSA-N 452.385 5.863 50 10 JKGE Brc1ccc(I)cc1[C@H](Br)c1ccc2c(c1)COC2 232452532 KFQYBTIXRBOXOD-OAHLLOKOSA-N 493.964 5.568 50 10 JKGE Cc1cc([C@H](Br)c2cccc(C)c2I)c(C)cc1Br 235927849 YIZJTHXQLMQOFZ-OAHLLOKOSA-N 494.008 6.463 50 10 JKGE 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 239038854 FBMLHCJNVNTSAR-CBAWVIOQSA-N 477.506 5.615 50 10 JKGE CC(=NNC(=O)c1sc2cc(F)ccc2c1Cl)c1cccc(NC(=O)c2ccc(C)o2)c1 252642690 ZOICOIHFJZWUKO-UHFFFAOYSA-N 469.925 6.002 50 10 JKGE CCCCCCCCOc1ccc(-c2cc(C(=O)NN=C(C)c3ccc4ccccc4c3)[nH]n2)cc1 254865640 IMGRXILCRZMGET-UHFFFAOYSA-N 482.628 7.123 50 10 JKGE C[C@@H](Br)C[C@H]1CCCCN1C(=O)c1ccc(Br)cc1Br 312402508 QJDVRUFFYQNBDK-ZYHUDNBSSA-N 468.027 5.380 50 10 JKGE O=C(OCc1ccccc1)N1C[C@@H](CBr)[C@@H](c2ccccc2Br)C1 382679487 AUOKUEJREXUWGC-WBVHZDCISA-N 453.174 5.196 50 10 JKGE Fc1cc([C@@H](Br)c2cc(Cl)c(Cl)c(Cl)c2Cl)ccc1Br 404637630 AWNZLKGCVJYVQC-SNVBAGLBSA-N 481.801 7.686 50 10 JKGE CC(C)(C)[Si](C)(C)OCCc1ccccc1[C@@H]1CN(CCO[Si](C)(C)C(C)(C)C)CCN1 616634607 VXKVNTKWEFWMIC-DEOSSOPVSA-N 478.870 6.219 50 10 JKGE Cc1c(Br)cccc1[C@@H](Br)c1ccc(F)c(Br)c1F 691629583 JQXIIBCYVSGFLY-GFCCVEGCSA-N 454.934 6.283 50 10 JKGE Fc1cc(F)c2nc(CCCl)n(CC3(N(Cc4ccccc4)Cc4ccccc4)COC3)c2c1 705600101 GRDBTMJWOZZVRJ-UHFFFAOYSA-N 481.974 5.567 50 10 JKGE CC[C@@H](C[C@H](C)Br)Nc1ncc(C(F)(F)F)cc1I 716875370 WUJBVLLBLLDYPB-CBAPKCEASA-N 451.068 5.069 50 10 JKGE COC(=O)c1cc(-c2c(C)cccc2C)ccc1-c1[nH]c2ccc(OCCCl)cc2c1N=O 725238333 RWFREKMMDQYBLL-UHFFFAOYSA-N 462.933 6.921 50 10 JKGE CCCCCOc1ccc([C@@H]2CN(C(=O)OCc3ccccc3)C[C@H]2CBr)cc1 725425928 OJPIOASASPHKPR-GGAORHGYSA-N 460.412 6.003 50 10 JKGE COc1cc(C=NNC(=O)c2cccc(Cl)c2)ccc1OCc1ccc(Br)cc1 1084049193 CBFZIXDHLFCXRE-UHFFFAOYSA-N 473.754 5.454 50 10 JKGE COc1cc(C=NNC(=O)c2cc3ccccc3o2)cc(Br)c1OCc1ccccc1F 1084339609 PCHQSYRENTZVSZ-UHFFFAOYSA-N 497.320 5.686 50 10 JKGE CCOc1cc(/C=C(/C#N)C(=O)Nc2ccc(C)cc2C)ccc1OCc1ccc(Cl)c(Cl)c1 1084408318 USWILAIOGBYIAN-MTJSOVHGSA-N 495.406 7.134 50 10 JKGE CC(C)(C)c1ccc(OCC(=O)NN=Cc2cccc(Oc3ccccc3)c2)c(Br)c1 1084594256 YSOSSOIXIXAPIF-UHFFFAOYSA-N 481.390 6.068 50 10 JKGE COc1ccc(/C(C#N)=C/c2ccc(OC(=O)c3ccc(-n4cccc4)cc3)cc2)cc1OC 1615099334 FYFKMXRZNZQAFY-HAVVHWLPSA-N 450.494 5.778 50 10 JKGE Cc1ccc2cccc(OC(=O)c3oc4c(c3C)C(=NNC(=O)c3ccccc3C)CCC4)c2n1 1772744050 QXFCTNHDAICQHG-UHFFFAOYSA-N 467.525 5.443 50 10 JKGE Cc1ccc(Cl)cc1NC(=O)c1oc2c(c1C)C(=NNC(=O)c1ccc(F)cc1)CCC2 1772745277 VMMRDCFYVNZJGK-UHFFFAOYSA-N 453.901 5.412 50 10 JKGE O=C(CSc1nc2ccccc2s1)NN=Cc1cccc(OCc2ccc(F)cc2)c1 1772760585 WXMFXSBUBRMTRZ-UHFFFAOYSA-N 451.548 5.257 50 10 JKGE CCCCOc1ccc([C@@H]2C(C#N)=C(N)Oc3c2c(C(F)(F)F)nn3-c2ccc(OC)cc2)cc1 1865689939 HAXNJSDFABQTAJ-HXUWFJFHSA-N 484.478 5.297 50 10 JKGE CCOc1cccc([C@@H]2C(C#N)=C(N)Oc3c2c(-c2ccccc2)nn3Cc2ccc(C)cc2)c1 1865690276 NGSTXZAFGGHLAO-RUZDIDTESA-N 462.553 5.524 50 10 JKGE CCCc1nn(Cc2ccc(Cl)c(Cl)c2)c2c1[C@H](c1sccc1C)C(C#N)=C(N)O2 1865699420 TYBVWPJIIKWTMH-GOSISDBHSA-N 459.402 5.779 50 10 JKGE COc1ccc2c(c1)c(/C=N\NC(=O)c1ccc(-c3ccc(Cl)cc3Cl)nc1C)cn2C 1865760838 RHGRKZJLYXJWES-PPDIBHTLSA-N 467.356 5.628 50 10 JKGE CCOc1cc(NC(=O)c2ccccc2)c(OCC)cc1NC(=O)/C(C#N)=C/c1ccc(Cl)cc1 1866128537 XMOFCDIFXPCBSE-XSFVSMFZSA-N 489.959 5.935 50 10 JKGE N#C/C(=C(/O)CCCN1C(=O)c2ccccc2C1=O)c1nc(-c2ccc(-c3ccccc3)cc2)cs1 1872743801 MQLQWBPIDGMTQV-LCUIJRPUSA-N 491.572 6.346 50 10 JKGE COc1cc(C)c(-c2csc(/C(C#N)=C(\O)[C@H](C)N3C(=O)c4ccccc4C3=O)n2)cc1C(C)C 1872753565 CWMVBXTXRIKEOZ-QWVAQTLSSA-N 487.581 5.728 50 10 JKGE COc1ccc(-c2csc(/C(C#N)=C(O)/C=C/c3cc(OC)c(OC)c(OC)c3)n2)c(OC)c1 1872755664 ZAGUJCFVGUOSCX-CRZNAYNCSA-N 480.542 5.359 50 10 JKGE CC[C@H](C)N1C(=O)c2ccc(/C(O)=C(\C#N)c3nc(-c4ccc(OC)c(Cl)c4)cs3)cc2C1=O 1872757592 MYOLOKYOLVROEG-ZZUBKFDBSA-N 493.972 5.816 50 10 JKGE N#C/C(=C\c1ccc(OCc2ccc(Cl)cc2)cc1)c1nc(-c2ccc(Cl)c(Cl)c2)cs1 1872790523 OOMKBOJSFWKZDJ-YBFXNURJSA-N 497.834 8.413 50 10 JKGE N#C/C(=C\c1ccccc1OCc1ccccc1Cl)c1nc(-c2ccc3c(c2)OCO3)cs1 1872792435 YWWDMAVTRFOVPS-RGVLZGJSSA-N 472.953 6.835 50 10 JKGE CC[C@H](Br)CN(Cc1ccccc1)C(=O)c1cc(Cl)cc(Br)c1 1915077127 STERGNURJLLVEO-HNNXBMFYSA-N 459.609 5.918 50 10 JKGE Cc1c(Br)sc([C@@H](Br)c2ccc(C(C)C)cc2)c1Br 1922901233 LXORYMZRXAAAPG-ZDUSSCGKSA-N 467.064 7.189 50 10 JKGE Cc1c(Br)sc([C@@H](Br)[C@H]2C[C@H](C)O[C@H](C)C2)c1Br 1922921377 QBMICSNANKNCCN-NJANEAIBSA-N 461.057 6.221 50 10 JKGE COc1cccc([C@@H](Br)c2c(Br)sc(Br)c2Cl)c1 1923038420 JEYLQVQUWJSKPL-SECBINFHSA-N 475.427 6.419 50 10 JKGE Cl[C@@H](c1cc2c(s1)CCC2)c1c(Br)sc(Br)c1Br 1924590243 ILMIOZXACDQMOV-JTQLQIEISA-N 491.495 6.914 50 10 JKGE Cl[C@@H](c1c(Br)sc(Br)c1Br)C1C2(CC2)C12CC2 1924612865 ONUBZDSRYQNASY-ZETCQYMHSA-N 461.444 6.506 50 10 JKGE Fc1ccc(F)c([C@H](Cl)c2c(Br)sc(Br)c2Br)c1F 1924615156 XBSPRUKZQSQHNN-QMMMGPOBSA-N 499.371 6.781 50 10 JKGE CC1(C)C[C@H]1C[C@@H](Cl)c1c(Br)sc(Br)c1Br 1924615792 GKMPQYLTULHYND-PHDIDXHHSA-N 451.449 6.752 50 10 JKGE FC1(F)C[C@H]1[C@@H](Br)c1c(Br)sc(Br)c1Br 1924617141 YFXFBNMDZHYFQG-ZAFYKAAXSA-N 489.799 6.127 50 10 JKGE Fc1cccc([C@H](Br)Cc2ncccc2Br)c1I 1924870107 DGSSJVSRSKYLOF-SNVBAGLBSA-N 484.932 5.267 50 10 JKGE Clc1cc([C@H](Br)c2csnc2Br)sc1Br 1925226483 VBIRFAOUAZOQFK-ZCFIWIBFSA-N 452.418 5.867 50 10 JKGE Cc1ccc(Cl)c([C@@H](Br)c2cc(I)cc3c2OCC3)c1 1925536401 PACXAGPEHJAAOJ-OAHLLOKOSA-N 463.540 5.672 50 10 JKGE Clc1sc(Cl)c([C@H](Cl)c2cc(Br)ccc2Br)c1Cl 1925590426 XWVUNANLCXLFEK-MRVPVSSYSA-N 469.840 7.562 50 10 JKGE Clc1cc([C@H](Br)c2cccc(Br)c2Br)c(Cl)s1 1943903232 MUHNONZFIPXBQI-SECBINFHSA-N 479.846 7.064 50 10 JKGE C[C@@H]1OC2([C@@H](Cl)c3c(Br)sc(Br)c3Br)CC1C2 2017754100 BSJDQFXRUBLJKX-ZNBBGQGMSA-N 465.432 5.883 50 10 JKGE Clc1cc(Br)ccc1CC(CBr)(CBr)C1CCC1 2029226276 UMHCDIMDDODYKG-UHFFFAOYSA-N 459.447 6.221 50 10 JKGE COc1sc([C@@H](Br)c2c(Br)sc(C)c2C)cc1Br 2039501815 BTJBLKIGVSYLTH-SNVBAGLBSA-N 475.065 6.444 50 10 JKGE CN(Cc1ccccc1)[C@H]1CCCN(c2c(CBr)ccc(Br)c2Cl)C1 2050043378 ULLFSBPPYCTZJQ-KRWDZBQOSA-N 486.679 6.098 50 10 JKGE CC(C)[C@@H](C)N(Cc1ccccc1)S(=O)(=O)c1ccc(CBr)cc1Br 2059313407 YERMZGPRYKQXTP-OAHLLOKOSA-N 489.273 5.579 50 10 JKGE CO[C@@H]1C[C@H]([C@@H](Br)c2cc(Br)sc2Br)C12CCC2 2070187070 ZUFQGUUKBSZSGX-KKZNHRDASA-N 459.041 5.914 50 10 JKGE Cc1c(Br)ccc([C@@H](Br)c2cccc(Cl)c2)c1Br 2083336547 BBFPQMHKFUHVGR-AWEZNQCLSA-N 453.399 6.658 50 10 JKGE CCC(CC)(CBr)CN=[S@](C)(=O)C[C@H](NC(=O)OC(C)(C)C)C(C)(C)C 2106785080 AGVQVRQYCDIGRT-QWXGXRTQSA-N 455.503 5.225 50 10 JKGE Cc1cc([C@@H](Cl)c2c(C)c(Br)cc(C)c2Br)c(Br)s1 2136369014 ZQZGHISPEJMLEF-CYBMUJFWSA-N 487.482 7.289 50 10 JKGE C[C@@H]1CCCN(C(=O)c2c(Br)cccc2Br)[C@@H]1CCBr 2150495239 WDGYAYCPPRFVGY-ZWNOBZJWSA-N 468.027 5.237 50 10 JKGE CCC(CC)(CBr)CN1CCN(C(=O)OC(C)(C)C)[C@H](C)C[C@H]1C(F)(F)F 2178262873 GHGMFDLJYBNIBA-CABCVRRESA-N 459.391 5.450 50 10 JKGE Cc1cc(Br)c(C)c([C@@H](Br)C2CC3(C2)CC32CC2)c1Br 2201073453 MJAKCEAMTUEZSM-XNYLIXPXSA-N 463.051 6.845 50 10 JKGE COCc1ccc([C@H](Br)c2ccc(Br)c(C)c2Br)cc1 2203688694 VMQQDWGFVUEEDM-INIZCTEOSA-N 463.007 6.151 50 10 JKGE C[C@@H]1CC[C@@H](C(C)(C)Cc2ccc(I)c(Cl)c2)[C@H](Br)C1 2208031783 CUOQYZFOVFUEBQ-MRVWCRGKSA-N 469.632 6.713 50 10 JKGE Fc1cc(Br)c(Br)cc1[C@@H](Br)c1ccc(Cl)s1 2213492671 RAIOQPKGTZFJRR-LLVKDONJSA-N 463.391 6.550 50 10 JKGE Clc1cc(Cl)cc(C[C@H](Br)c2scc(Br)c2Br)c1 2223996151 KLUAQKRFBWIBAS-VIFPVBQESA-N 493.873 7.259 50 10 JKGE Cc1cc(Br)c([C@@H](Br)[C@H]2C(F)(F)C23CC3)c(C)c1Br 2227372482 WQDLTTHVGVXYIF-VXGBXAGGSA-N 458.966 6.310 50 10 JKGE COc1cc(F)c(Br)cc1[C@H](Br)c1sc(C)cc1Br 2229326269 UPXASDDTDKJZAP-LBPRGKRZSA-N 472.999 6.214 50 10 JKGE Cc1c(Br)cnc2c1nc([C@@H](C)Cl)n2C[C@@H]1CC1(Br)Br 2233037343 BESSQVKHFVNAGY-SFYZADRCSA-N 486.433 5.308 50 10 JKGE C[C@@H](Cl)c1nc2ccc(Cl)c(Cl)c2n1C[C@H]1CC1(Br)Br 2233037955 DLXYWKDJFGFHPK-RNFRBKRXSA-N 461.412 6.149 50 10 JKGE Fc1cc(Br)c(Br)cc1[C@H](Br)C1C2(CCC2)C12CCC2 2233976968 RMMYMWGHJQJDKO-ZDUSSCGKSA-N 467.014 6.757 50 10 JKGE COc1cccc(F)c1[C@H](Br)c1cc(Br)c(Br)cc1F 2233978171 YTJGZTZITYAQEP-CQSZACIVSA-N 470.933 5.983 50 10 JKGE Cc1cc(Br)c([C@@H](Br)[C@@H]2CC23CC(F)(F)C3)c(C)c1Br 2235608910 MDZNCWZJEHNKNW-ZANVPECISA-N 472.993 6.700 50 10 JKGE Cc1cc(Br)c([C@H](Br)[C@@H]2CC[C@H]3C[C@H]3CC2)c(C)c1Br 2235613843 BLNMYRTVYOGBIH-IPJQOSJUSA-N 465.067 7.091 50 10 JKGE Cc1ccc(I)c([C@@H](Br)Cc2nc3ccccc3s2)c1 2240991987 SDEBRHATRSGORU-LBPRGKRZSA-N 458.162 5.888 50 10 JKGE CS(=O)(=O)C1CC([C@H](Cl)c2c(Br)sc(Br)c2Cl)C1 2257623578 GSIBKDDANPQYGB-QIYZCZBYSA-N 457.036 5.030 50 10 JKGE C[C@]1(F)C[C@H]([C@H](Br)c2c(F)cc(Br)c(F)c2Br)C1 2260006336 RAYVVRNHSVKRMN-OAAKCYPXSA-N 450.918 6.064 50 10 JKGE CCCCc1ccc([C@@H](Br)c2ccc(I)c(Cl)c2)s1 2264368439 JNVBDVBNERBRQM-HNNXBMFYSA-N 469.613 6.833 50 10 JKGE Cc1cc([C@@H](Br)c2cccc(Cl)c2Br)c(C)cc1Br 2267986431 YTESZAVNRKVOOE-AWEZNQCLSA-N 467.426 6.966 50 10 JKGE COc1ccc([C@@H](Cl)c2cc(Br)ccc2C)cc1I 2269548324 VXSKOFDIPDIRHP-OAHLLOKOSA-N 451.529 5.699 50 10 JKGE Cc1cc(F)c(Br)cc1[C@H](Cl)c1ccc(Br)cc1Br 2270454459 XGIJSDBZEGXZQP-CQSZACIVSA-N 471.389 6.750 50 10 JKGE Fc1cc(Br)c(F)c(Br)c1[C@H](Br)CCCC(F)(F)F 2272732432 GNNAKBXTZIXWSJ-RXMQYKEDSA-N 474.887 6.658 50 10 JKGE Fc1cc(Br)c(F)c(Br)c1[C@H](Br)[C@H]1C[C@H]1C(F)(F)F 2272842516 PVAGFBCLGDBQSP-JJXKXHSHSA-N 472.871 6.124 50 10 JKGE Cc1cc(Br)c([C@@H](Br)c2c(Br)nn(C)c2C)c(C)c1F 2279148226 CXFYMOXZVYUJEA-GFCCVEGCSA-N 468.990 5.494 50 10 JKGE Fc1cccc(I)c1[C@H](Cl)c1scc(C(F)(F)F)c1Br 2282894543 PUNWBYKNQNSGPT-JTQLQIEISA-N 499.492 6.601 50 10 JKGE Fc1cc(Br)c(F)c(Br)c1[C@H](Br)C[C@H]1C[C@H]1C(F)(F)F 2288361724 DLUWJCYRKCSMLH-HSUXUTPPSA-N 486.898 6.514 50 10 JKGE C[C@@H]1O[C@H](C)[C@H]([C@H](Br)c2c(F)cc(Br)c(F)c2Br)[C@@H]1C 2288375196 BDJUWUVLKLAWOF-BMDWXNKYSA-N 476.981 5.985 50 10 JKGE Fc1cc(Br)c(F)c(Br)c1[C@H](Br)[C@@H]1CCCCC12CC2 2288484313 REBQYKPNSAWSBT-QPUJVOFHSA-N 472.993 6.896 50 10 JKGE CC1([C@@H](Br)Cc2cc(Br)cc(Br)c2)CCCCCCC1 2295330773 ZQPJJEJZCUFSCJ-INIZCTEOSA-N 467.083 7.268 50 10 JKGE C[C@@H]1CC[C@@](C)([C@@H](Br)Cc2cc(Br)cc(Br)c2)C1(C)C 2295344690 BZDHTXOFDNHYCO-PJQXDXOGSA-N 467.083 6.980 50 10 JKGE COc1cc(OC)c([C@@H](Br)c2cc(Br)oc2C)cc1Br 2295437866 RMXVOWQALIPREC-AWEZNQCLSA-N 468.967 5.615 50 10 JKGE N#CC(=CNc1ccc(S(=O)(=O)Nc2nccs2)cc1)c1nc(-c2ccc(F)cc2)cs1 2296557103 DXABKCXZSFFHPI-UHFFFAOYSA-N 483.575 5.183 50 10 JKGE CCOC(=O)c1c(NC=C(C#N)c2nc(-c3ccc(C)c(C)c3)cs2)sc(C(=O)OC)c1C 2296789956 DYQWCYMXJKLKIL-UHFFFAOYSA-N 481.599 5.737 50 10 JKGE N#CC1=C(N)OC2=C(CN(Cc3ccccc3)CC2=Cc2ccccc2F)[C@@H]1c1ccccc1F 2297504871 HFEXFMDVCIDAAN-HHHXNRCGSA-N 467.519 5.626 50 10 JKGE Cc1ccc(NC(=O)C(C#N)=Cc2cn(Cc3ccc(Br)cc3)c3ccccc23)c(C)c1 2297561959 JZHHKTQKKIBDPD-UHFFFAOYSA-N 484.397 6.615 50 10 JKGE COc1cc(C=C(C#N)C(=O)Nc2ccccc2C)cc(Br)c1OCc1ccccc1 2313518126 LBFCEDLUQAHTPD-UHFFFAOYSA-N 477.358 5.891 50 10 JKGE COc1cc(C=C(C#N)C(=O)Nc2cccc(Cl)c2Cl)c([N+](=O)[O-])cc1OCc1ccccc1 2313571258 QXKQHVOLKUPSIB-UHFFFAOYSA-N 498.322 6.035 50 10 JKGE CCOc1cc(C=C(C#N)C(=O)Nc2cccc(Cl)c2Cl)ccc1OCc1ccccc1C#N 2313571323 SKJAIZVXXUUJRX-UHFFFAOYSA-N 492.362 6.388 50 10 JKGE N#CC(=Cc1cccc(OCc2ccc(Cl)cc2)c1)C(=O)Nc1cc(Cl)ccc1Cl 2313631821 WLVXDLVHSAUZRR-UHFFFAOYSA-N 457.744 6.771 50 10 JKGE Cc1ccc(NC(=O)C(C#N)=Cc2ccccc2OCc2ccc(Cl)c(Cl)c2)c(C)c1 2313667538 OTWBUNAXRFXZIX-UHFFFAOYSA-N 451.353 6.735 50 10 JKGE Cc1ccc(Oc2nc3c(C)cccn3c(=O)c2C=C(C#N)C(=O)Nc2ccccc2Cl)c(C)c1 2314532747 LUVFXFBNYCKOQG-UHFFFAOYSA-N 484.943 5.611 50 10 JKGE N#CC(=Cc1ccc(-c2ccc(Cl)cc2Cl)o1)c1nc(-c2ccc([N+](=O)[O-])cc2)cs1 2314572380 ZRCLDQXVQSJUGK-UHFFFAOYSA-N 468.321 7.349 50 10 JKGE COc1ccc(N2C(=O)[C@H](Cc3cccc(C)c3)SC2=C(C#N)C(=O)N[C@H](C)c2ccccc2)cc1 2314593806 TZGAHOWETQTCMD-IBVKSMDESA-N 497.620 5.307 50 10 JKGE CCCc1sc(Br)cc1[C@@H](Br)c1c(Br)ncn1C 2316187244 NPTQHGOKUQLCBH-SNVBAGLBSA-N 457.029 5.443 50 10 JKGE COc1ccc(C(C#N)=Cc2ccc(OC(=O)c3ccc(-n4cccc4)cc3)cc2)cc1OC 2320506259 FYFKMXRZNZQAFY-UHFFFAOYSA-N 450.494 5.778 50 10 JKGE Cc1ccc(NC=C(C#N)C(=O)N2CCN(C(c3ccccc3)c3ccccc3)CC2)cc1C 2324605326 JCRHYXHHLCPBTC-UHFFFAOYSA-N 450.586 5.057 50 10 JKGE CCCCCCCCCOc1ccc(C=C(C#N)c2nc3cc(C)ccc3n2C)cc1OCC 2331018630 ZFUGYLFRNQLOMA-UHFFFAOYSA-N 459.634 7.474 50 10 JKGE COc1ccc(-c2csc(C(C#N)=C(O)[C@H](C)Oc3ccc(Cl)cc3Cl)n2)cc1OC 2331242801 MNMUHORPOJWYQL-LBPRGKRZSA-N 477.369 6.394 50 10 JKGE COc1ccc(C(C)(C)C)cc1-c1csc(C(C#N)=C(O)CCCOc2ccccc2C)n1 2331350731 PBFJWGQKFRZNHQ-UHFFFAOYSA-N 462.615 7.077 50 10 JKGE COc1cc(C)c(-c2csc(C(C#N)=C(O)C=Cc3ccc(Cl)c(Cl)c3)n2)cc1C(C)C 2331353924 NDHPDOGDZJAQNE-UHFFFAOYSA-N 485.436 8.063 50 10 JKGE COc1ccc(C=CC(O)=C(C#N)c2nc(-c3ccc(OC)c(OC)c3OC)cs2)cc1OC 2331412480 AYGWATFFGXCYJX-UHFFFAOYSA-N 480.542 5.359 50 10 JKGE Cc1oc(Br)cc1[C@@H](Br)c1c(F)cc(Cl)c(Br)c1Cl 2335302413 PRNSSPYNFIFWGW-SNVBAGLBSA-N 495.795 7.043 50 10 JKGE FC1(F)CCCCC[C@H]1[C@@H](Br)c1cc(Br)ccc1OCc1ccccc1 2336084090 QBRBXTJIJUAKDB-ICSRJNTNSA-N 488.210 7.680 50 10 JKGE Cc1cc(Br)c(F)c(Br)c1[C@H](Br)[C@@H]1CCCOCC1 2339680905 BWPWHGJJZNULEW-BXKDBHETSA-N 458.991 5.912 50 10 JKGE Clc1cc(Br)c(C[C@@H](CBr)Cc2ccc(Br)cc2)s1 2346065767 DXHYUCBZYIPGMF-JTQLQIEISA-N 487.482 6.723 50 10 JKGE COc1c(F)c(F)cc([C@H](Cl)c2sc(Br)cc2Br)c1F 2361164709 CIBZAJPZYJDXEH-QMMMGPOBSA-N 450.501 6.027 50 10 JKGE FC(F)(F)[C@H]1C[C@H](Br)CCN1Cc1c(Br)cccc1Br 2361419831 CJGVKHBAWHTWHP-PRHODGIISA-N 479.960 5.502 50 10 JKGE CCCCO[C@@H]1[C@@H](Br)C[C@H]1OCc1cc(Br)cc(Br)c1 2362249012 FGFKWSMIPIMUNM-RRFJBIMHSA-N 471.027 5.449 50 10 JKGE Cc1cc(Br)c(F)c(Br)c1[C@H](Br)[C@@]1(C)CCCC1(F)F 2365180048 QWEBSCCYQINGQB-QWHCGFSZSA-N 478.972 6.921 50 10 JKGE COc1csc([C@@H](Br)c2c(C)cc(Br)c(OC)c2Br)c1 2365189785 YNHYBMYXGYRIHL-GFCCVEGCSA-N 485.035 6.083 50 10 JKGE Cc1cc(Br)c(F)c(Br)c1[C@@H](Br)[C@H]1CCCCC1(F)F 2365214541 BHAGCEDEAKXHGL-KCJUWKMLSA-N 478.972 6.921 50 10 JKGE Clc1ccc(CN2CCC[C@@H]3CC[C@@H](Br)C[C@H]32)c(I)c1 2366725396 NHXFEYHWUHYOAZ-AXAPSJFSSA-N 468.604 5.473 50 10 JKGE Clc1cc(Cl)cc(CC[C@@H](Cl)c2ccc(Br)cc2Br)c1 2366897258 PLXIQPHENUWRGF-OAHLLOKOSA-N 457.420 7.431 50 10 JKGE CC(C)(C)OC(=O)N[C@H](C[S@@](C)(=O)=NC[C@](C)(CBr)C(C)(C)C)C(C)(C)C 2380204031 WOIYWCTYJTZVHI-VPDVJUPVSA-N 469.530 5.471 50 10 JKGE CCOC(=O)C1=C(C)OC(N)=C(C#N)[C@H]1c1cc(COc2ccccc2Cl)c(C)cc1C 2728300 XWEFFHZRYWLNMZ-HSZRJFAPSA-N 452.938 5.181 50 10 JKGE C[C@H](Sc1nnc(-c2sc3ccccc3c2Cl)o1)C(=O)/C(C#N)=C1\Nc2ccccc2S1 12557496 SRNKQBPWARYXKY-AMRSXLBCSA-N 497.026 6.607 50 10 JKGE CCCCOc1ccc(Br)cc1C(=O)NNC(=O)c1ccc(OCCC(C)C)cc1 14649880 GTJZBVGYEZVWHC-UHFFFAOYSA-N 477.399 5.128 50 10 JKGE COc1cc(/C=C(/C#N)S(=O)(=O)c2ccc(Cl)cc2)ccc1OCc1ccccc1F 33394207 NWEIFNWKTPXHTJ-NDENLUEZSA-N 457.910 5.405 50 10 JKGE CCCCOC(=O)c1ccc(NC(=O)/C(C#N)=C\c2ccc(-c3cccc([N+](=O)[O-])c3)o2)cc1 33492367 LVKHJQGNSSXFSU-CYVLTUHYSA-N 459.458 5.357 50 10 JKGE Cc1cccc(NC(=O)/C(C#N)=C2/S[C@@H](Cc3ccc(Cl)cc3)C(=O)N2c2ccccc2)c1 33931674 CXCWGYVGQFOCMZ-GPSDDGMOSA-N 473.985 5.713 50 10 JKGE CCOc1cccc(-c2nn(-c3ccccc3)cc2/C=C(/C#N)S(=O)(=O)c2ccc(Cl)cc2)c1 35446469 LFRHUESFYKBBOK-XYGWBWBKSA-N 489.984 5.930 50 10 JKGE N#C/C(=C/c1cn(-c2ccccc2)nc1C12CC3CC(CC(C3)C1)C2)S(=O)(=O)c1ccccc1 35447071 SXOBERNRSOZPRO-WGARJPEWSA-N 469.610 5.678 50 10 JKGE Cc1cccc(C2(c3cccc(C)c3)C[C@@H]2C(=O)N/N=C/[C@H]2[C@H](c3ccccc3)C2(Cl)Cl)c1 36062128 MZZOVQMBULGBAO-OGNUCIQWSA-N 477.435 6.299 50 10 JKGE CCOc1ccccc1[C@H]1C(C#N)=C(N)Oc2cc(OC(=O)Cc3ccc(Cl)cc3)ccc21 38650569 AKUWTNFAVSSGFU-RUZDIDTESA-N 460.917 5.105 50 10 JKGE Cc1ccc(OCC(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@@H]3c2cccc(Cl)c2)cc1C 38651229 WTPOFJIRFKVKEW-RUZDIDTESA-N 460.917 5.159 50 10 JKGE CCCCOc1ccc(C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@@H]3c2ccc(F)cc2)cc1 38652746 XGEGOCUEVMNKHG-RUZDIDTESA-N 458.489 5.442 50 10 JKGE Cc1cccc(OCC(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@@H]3c2c(Cl)cccc2Cl)c1C 38679900 OKRZAEMCVLLARH-XMMPIXPASA-N 495.362 5.813 50 10 JKGE C=CCOc1cccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)COc4cccc(C)c4C)ccc32)c1 40529893 WBPOAZXDLGNLCY-NDEPHWFRSA-N 482.536 5.071 50 10 JKGE COc1cc(/C=N/NC(=O)COc2ccc(Br)c(C)c2)ccc1OCc1ccccc1C 40911557 YGLCQXNPKCVBKG-MZJWZYIUSA-N 497.389 5.183 50 10 JKGE C[C@H](NC(=O)/C(C#N)=C/c1ccc(OCc2ccc(Cl)c(Cl)c2)cc1)c1ccccc1 59255361 SGDRPIIQSFHMRU-RSZPVBOMSA-N 451.353 6.357 50 10 JKGE COc1cccc(/C(CSc2nc3ccccc3s2)=N\NC(=O)c2cccc([N+](=O)[O-])c2)c1 59460593 OFPAMZBWUCPZIQ-QQTULTPQSA-N 478.555 5.140 50 10 JKGE COc1ccc(C(=O)N/N=C\c2ccc(Oc3ccc(C(F)(F)F)cc3[N+](=O)[O-])cc2)cc1 59462954 KXSRCELBRSZYCF-ZMFRSBBQSA-N 459.380 5.178 50 10 JKGE Clc1ccc([C@@H](Br)c2cc(Br)sc2Br)s1 71101654 HKJQGOYIAYYBHZ-QMMMGPOBSA-N 451.430 6.472 50 10 JKGE COc1ccc([C@H](C(=O)NC2CCCCC2)N(CCc2ccc(Cl)cc2)C(=O)CCl)cc1 97914331 NFQSJBMCAUJZBI-XMMPIXPASA-N 477.432 5.149 50 10 JKGE CCc1ccc(N2C(=O)[C@@H](Cc3ccc(C(C)C)cc3)S/C2=C(/C#N)C(=O)NCc2ccco2)cc1 101242024 MAQXPMXZZCDKHE-SJCFVWOQSA-N 499.636 5.708 50 10 JKGE N#C/C(=C/Nc1ccccc1OC(F)(F)[C@H](F)Cl)c1nc(-c2ccc(F)cc2)cs1 102415942 LPXRQGBWEJOPLU-XGCMIMOYSA-N 453.848 6.432 50 10 JKGE O=[N+]([O-])c1cccc(/N=N/N(CC(CCl)(CCl)CCl)c2cccc([N+](=O)[O-])c2)c1 103750161 TZIAGDZYYQEJCB-QURGRASLSA-N 460.705 5.711 50 10 JKGE CC(C)CCC[C@H](C)[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@@]21C 118920940 XOLVVFSHDULKRS-FIILXQAHSA-N 477.173 8.567 50 10 JKGE Cc1cc(Br)c([C@@H](Br)Cc2cccc(Cl)c2)cc1Br 128796021 KHUGQYRVJOFYAE-HNNXBMFYSA-N 467.426 6.852 50 10 JKGE Brc1cc([C@@H](Br)Cc2nc3ccccc3o2)sc1Br 128993140 TVNAPCCOKPMPAM-ZETCQYMHSA-N 465.992 6.093 50 10 JKGE Fc1cccc(Br)c1[C@H](Cl)c1cc(Br)ccc1Br 161175327 SGZJNIULPGOVQZ-CYBMUJFWSA-N 457.362 6.441 50 10 JKGE Brc1ccc([C@H](Br)c2ccc(Br)s2)c(Br)c1 232483321 ZDEPFMSELPHNCH-NSHDSACASA-N 489.852 6.520 50 10 JKGE CCc1ccc(CC)c([C@H](Br)c2ccc(Br)cc2Br)c1 234183932 LXYDJWVMWCUXIO-QGZVFWFLSA-N 461.035 6.821 50 10 JKGE COc1cc(Cl)c([C@H](Br)c2ccc(F)cc2I)cc1Cl 234900089 NEBVGHDQWAJOSU-CQSZACIVSA-N 489.937 6.230 50 10 JKGE COc1ccc(C=NNC(=O)COc2cc(C)cc(C)c2)cc1COc1ccc2ccccc2c1 252622877 OEQXJVZZVJJVEX-UHFFFAOYSA-N 468.553 5.573 50 10 JKGE CCOC(=O)c1ccc([Si](CC)(CC)O[Si](CC)(CC)c2ccc(C(=O)OCC)cc2)cc1 253567926 KQPXCYWHHBIFNS-UHFFFAOYSA-N 486.757 5.141 50 10 JKGE Cc1cc(C=NNC(=O)c2cc3cc([N+](=O)[O-])ccc3o2)c(C)n1-c1sc2c(c1C#N)CCCC2 254625276 RTVVQOASBMNURI-UHFFFAOYSA-N 487.541 5.324 50 10 JKGE COc1ccc([C@@H](Br)c2sccc2I)c(Br)c1 310099063 MONYLBJFYVDDHH-LLVKDONJSA-N 487.982 5.608 50 10 JKGE BrCc1cc(Br)cc(Br)c1OCCC[C@@H]1CCCO1 311918331 DGUCLHMYLSLUNE-LBPRGKRZSA-N 457.000 5.445 50 10 JKGE Cc1cc(Br)c([C@H](Cl)c2cc(Br)oc2C)cc1Br 396482258 XPDYSMJHATWNEQ-CYBMUJFWSA-N 457.387 6.512 50 10 JKGE Clc1cc([C@@H](Br)c2ccoc2Br)c(Cl)c(Cl)c1Cl 405038593 XWMXVMSRDWKTBB-ZETCQYMHSA-N 453.772 7.140 50 10 JKGE CC(C)(C)[Si](C)(C)OCCc1ccccc1[C@H]1COCCCN1CCO[Si](C)(C)C(C)(C)C 616645279 JHEDWFABSGHEHT-RUZDIDTESA-N 493.881 7.036 50 10 JKGE FC(F)(F)c1cnc(N[C@H](CBr)C2CCCC2)c(I)c1 686108204 HGLWICSNYOOMGN-LLVKDONJSA-N 463.079 5.071 50 10 JKGE Fc1cc(Br)ccc1C[C@@H](Cl)c1cc(Br)ccc1Br 692785015 VBPCHMDIWVIRIE-CYBMUJFWSA-N 471.389 6.636 50 10 JKGE C[C@]1(CBr)CCCCN1C(=O)c1cc(Br)c(Br)s1 722988646 AFMGVOQOUMEKBM-GFCCVEGCSA-N 460.029 5.053 50 10 JKGE O=C(NCCOc1ccccc1)[C@H](c1cccs1)N(C(=O)CCl)c1cccc(C(F)(F)F)c1 725237327 DGAUZYIVRFFFIM-NRFANRHFSA-N 496.938 5.275 50 10 JKGE Cc1ccc(C)c(NC(=O)/C(C#N)=C\c2ccc(OCc3ccccc3)c(Br)c2)c1 1084047250 VOKSTBVQRMZBOT-BKUYFWCQSA-N 461.359 6.191 50 10 JKGE O=C(CSc1nc2ccc([N+](=O)[O-])cc2s1)NN=Cc1c2ccccc2cc2ccccc12 1084376454 NHSMIZTVYTXFBN-UHFFFAOYSA-N 472.551 5.753 50 10 JKGE CC(=NNC(=O)C12CC3CC(CC(C3)C1)C2)c1ccc(-c2sc([N+](=O)[O-])cc2[N+](=O)[O-])s1 1565517718 CQJSWAOXIZWRQA-UHFFFAOYSA-N 474.564 5.350 50 10 JKGE CCCCc1ccc(NC(=O)c2oc3c(c2C)C(=NNC(=O)c2ccc(OC)cc2)CCC3)cc1 1772745717 JAXGEDAQRVSWGX-UHFFFAOYSA-N 473.573 5.662 50 10 JKGE COc1cccc(NC(=O)c2oc3c(c2C)C(=NNC(=O)c2ccc(Cl)cc2Cl)CCC3)c1 1772747599 JSOKNDLHWWLJPN-UHFFFAOYSA-N 486.355 5.626 50 10 JKGE N#CC1=C(N)Oc2c(c(-c3ccccc3)nn2-c2cccc3ccccc23)[C@@H]1c1cccc(O)c1 1865681714 ULZJNTBMMJRGLD-RUZDIDTESA-N 456.505 5.616 50 10 JKGE N#CC1=C(N)Oc2c(c(-c3ccccc3)nn2Cc2ccccc2F)[C@H]1c1ccccc1Cl 1865684943 BYKLWSPCOVEURS-QFIPXVFZSA-N 456.908 5.609 50 10 JKGE COc1ccc(-c2nn(-c3ccccc3)c3c2[C@H](c2c(Cl)cccc2Cl)C(C#N)=C(N)O3)cc1 1865686719 YWEJWUCYEDCHLC-NRFANRHFSA-N 489.362 6.073 50 10 JKGE CCCOc1cccc([C@H]2C(C#N)=C(N)Oc3c2c(CCC)nn3-c2cccc3ccccc23)c1 1865692460 BNWQBCSHBKKKNR-SANMLTNESA-N 464.569 5.985 50 10 JKGE COc1ccc(OC)c([C@@H]2C(C#N)=C(N)Oc3c2c(-c2ccccc2)nn3-c2ccc(C)cc2)c1 1865692867 PQCBTINWIVVMSN-XMMPIXPASA-N 464.525 5.083 50 10 JKGE CCc1nn(Cc2ccc(Cl)c(Cl)c2)c2c1[C@@H](c1ccc(N(CC)CC)cc1)C(C#N)=C(N)O2 1865702531 WPFUIFMRWNHGJB-QHCPKHFHSA-N 496.442 5.865 50 10 JKGE COc1cc([C@@H]2C(C#N)=C(N)Oc3c2c(-c2ccccc2)nn3Cc2ccc(C)cc2)cc(Cl)c1O 1865706984 KNCXNMMFBHXGKI-HSZRJFAPSA-N 498.970 5.493 50 10 JKGE COc1ccc(-c2nn(-c3ccccc3Cl)c3c2[C@H](c2ccccc2O)C(C#N)=C(N)O3)cc1 1865708236 RDSVYBQLBXLLJZ-JOCHJYFZSA-N 470.916 5.125 50 10 JKGE N#CC1=C(N)Oc2c(c(-c3ccccc3)nn2Cc2ccc(Cl)c(Cl)c2)[C@@H]1c1ccc[nH]1 1865709948 KUVPJLLLXRZWAF-FQEVSTJZSA-N 462.340 5.451 50 10 JKGE CCCC[C@H](NC(=O)[C@@H](Cc1ccncc1)c1ccccc1)C(=O)Nc1ccc(SC#N)cc1 1866703714 WKIGVQMYVVFYRP-DQEYMECFSA-N 472.614 5.295 50 10 JKGE CC(C)c1nc(Nc2ccc(SC#N)cc2)cc(N2CCC[C@H]2c2nc3ccccc3s2)n1 1868231890 VWVYDLJSFCBXMA-FQEVSTJZSA-N 472.643 6.868 50 10 JKGE COCCN1[C@H](C)CN(c2cc(Nc3ccc(SC#N)cc3)nc(-c3ccc(C)cc3)n2)C[C@H]1C 1868320102 BJPNAZYSNKWQSW-NHCUHLMSSA-N 488.661 5.314 50 10 JKGE COc1ccc(-c2csc(/C(C#N)=C(\O)[C@@H](C)Oc3ccc(Cl)cc3Cl)n2)cc1OC 1872745428 MNMUHORPOJWYQL-DMJQWXIHSA-N 477.369 6.394 50 10 JKGE CCOC(=O)c1ccc(N2C[C@H](/C(O)=C(\C#N)c3nc(-c4cccc(Cl)c4)cs3)CC2=O)cc1 1872748495 ZUYCNPFUEIUOES-HLGQQVFSSA-N 493.972 5.486 50 10 JKGE N#C/C(=C(/O)Cc1cc(Cl)ccc1Cl)c1nc(-c2ccc(Cl)c(Cl)c2)cs1 1872749049 ZETZIUAMHBWTRB-AQTBWJFISA-N 456.181 7.459 50 10 JKGE COc1cc(C)c(-c2csc(/C(C#N)=C(\O)Cc3ccc(OCc4ccccc4)cc3)n2)cc1C 1872757888 ANVDWHBQNFBTME-RFBIWTDZSA-N 482.605 7.050 50 10 JKGE Cc1cc(C)c(-c2csc(/C(C#N)=C/c3ccc(OCc4ccccc4Cl)cc3)n2)c(C)c1 1872794166 MXPFUXMECPDARV-OEAKJJBVSA-N 471.025 8.032 50 10 JKGE CCCOc1ccc(/C=C(\C#N)c2nc(-c3ccc(OC)c4ccccc34)cs2)cc1OCC 1872795157 QKIZEDBSDHVIBY-HMMYKYKNSA-N 470.594 7.224 50 10 JKGE Cc1c(Br)sc([C@H](Br)c2cccc3ccccc23)c1Br 1922883555 PHUGUGILFONBSE-CQSZACIVSA-N 475.043 7.219 50 10 JKGE Cc1ccc(C[C@H](Br)c2c(Br)sc(Br)c2Cl)cc1 1923037754 FNZSZRBCEIQMCN-VIFPVBQESA-N 473.455 6.914 50 10 JKGE FC(F)Oc1ccc([C@@H](Cl)c2c(Br)sc(Br)c2Cl)cc1 1923049844 OLPBVBKBTDZEDO-MRVPVSSYSA-N 466.956 6.856 50 10 JKGE CCC[C@H](C(C)C)[C@@H](Br)c1c(Br)sc(Br)c1Cl 1923066204 MUYCDLVRXOYUDP-VXNVDRBHSA-N 467.492 7.435 50 10 JKGE Cc1sccc1[C@H](Cl)c1c(Br)sc(Br)c1Br 1924572473 YUIVQXBMSBWDSR-QMMMGPOBSA-N 465.457 6.734 50 10 JKGE CC1(C)CC[C@H]([C@H](Cl)c2c(Br)sc(Br)c2Br)C1 1924572577 ZYRRMOLZVZDHOV-RCOVLWMOSA-N 465.476 7.142 50 10 JKGE FC(F)C1CC(C[C@H](Br)c2sc(Br)cc2Br)C1 1926950198 NLQPTGFERHEDFO-AHXFUIDQSA-N 452.984 6.391 50 10 JKGE CC1CC(C[C@H](Cl)c2c(Br)sc(Br)c2Br)C1 1926971945 DZPAOCSAUOCDLV-AHXFUIDQSA-N 451.449 6.752 50 10 JKGE C[C@H]1CCN(Cc2ccccc2)CCN1c1cccc(Br)c1CBr 1947755212 PCOBDUVUEZOUFB-INIZCTEOSA-N 452.234 5.445 50 10 JKGE COc1cscc1[C@H](Br)c1sc(Br)c(C)c1Br 1950315118 LGDGFZBVTZZQMK-VIFPVBQESA-N 461.038 6.136 50 10 JKGE Fc1cc(Cl)c(Br)cc1[C@H](Cl)c1cc(I)sn1 2007648485 WEDHCFHOEJWRSQ-JTQLQIEISA-N 466.928 5.631 50 10 JKGE Brc1cccc([C@H](Br)c2cc(C3CC3)c(Br)s2)c1 2033643689 ULDOOVFWAHQHDG-ZDUSSCGKSA-N 451.021 6.635 50 10 JKGE CCOc1ccc([C@@H](Cl)c2csc(Br)c2Br)c(Br)c1 2093942499 UBQDFCHWDMJKPB-GFCCVEGCSA-N 489.454 6.763 50 10 JKGE Cc1ccc(Br)cc1[C@@H](Br)c1cc(C2CC2)c(Br)s1 2094672570 AHVPAPCNUZMPKJ-CQSZACIVSA-N 465.048 6.943 50 10 JKGE C[C@@H](Br)C12CCC(CC1)N2Cc1ccc(Br)cc1Br 2097056211 DXMRDEJIFGKCMZ-ZZJLNTIPSA-N 452.028 5.492 50 10 JKGE Clc1ccc(Br)cc1Oc1c(CBr)ccc(Br)c1Cl 2098116666 JXBSWFLTFBBGIY-UHFFFAOYSA-N 489.816 7.206 50 10 JKGE Cn1nc([C@@H](Br)c2cc(Cl)c(Br)cc2F)c(Br)c1Cl 2110728284 NRCSBVOBCCYAFU-QMMMGPOBSA-N 495.799 5.875 50 10 JKGE CC[C@H](Br)[C@@H]1CCCCN1Cc1cc(Br)ccc1Br 2118519806 NWNFTOVYCUQJRB-ZFWWWQNUSA-N 454.044 5.740 50 10 JKGE Cc1c(Br)ccc([C@H](Br)c2c(F)cccc2F)c1Br 2138853073 PETDBKOZQRMTBR-AWEZNQCLSA-N 454.934 6.283 50 10 JKGE Cc1c(Br)ccc([C@H](Br)[C@@H]2[C@H]3CCC(F)(F)[C@@H]32)c1Br 2138869628 BMDYSFWBTBRJRR-XDRUHAPNSA-N 458.966 6.247 50 10 JKGE COc1c(Br)cc(C)cc1[C@H](Cl)c1cc(Br)c(Br)s1 2139017279 RLLBUNPPQZWFSO-NSHDSACASA-N 489.454 6.681 50 10 JKGE CC1(C)CN(Cc2ccccc2)C[C@@H]1n1c(CCl)nc2cc(Br)c(Cl)cc21 2159864845 OWGLPURTWRGNST-IBGZPJMESA-N 467.238 6.274 50 10 JKGE Clc1cc(Br)cc(CC(CBr)(CBr)C2CCCCC2)c1 2166824425 RMHNIBRFEQRXCB-UHFFFAOYSA-N 487.501 7.002 50 10 JKGE F[C@@]12CCC[C@]1(CBr)CN(Cc1c(Br)cccc1Br)C2 2176634806 FRMYZOAMWRNKMW-LSDHHAIUSA-N 470.018 5.301 50 10 JKGE FC1(COc2c(Br)cc(Br)cc2CBr)CC2(CCC2)C1 2184446078 QLAGGPONVNGTET-UHFFFAOYSA-N 471.002 6.158 50 10 JKGE COc1c(C)cc(Br)cc1[C@@H](Br)c1c(Br)nn(C)c1C 2206606676 VIEAZJXZCKPBSY-GFCCVEGCSA-N 466.999 5.055 50 10 JKGE CCCCC[C@@H](CC)O[C@@](C)(CI)c1ccccc1Br 2207470689 TZLIYRFOAYIBMK-PBHICJAKSA-N 453.202 6.475 50 10 JKGE Cn1nc(Br)c([C@H](Br)c2c(Cl)sc(Br)c2Cl)n1 2214373408 QSOWLIYZWQVSAC-GSVOUGTGSA-N 484.826 5.193 50 10 JKGE Clc1ccc([C@H](Cl)Cc2sc(Br)c(Br)c2Br)cc1 2222471120 IXMPIUPSLIIGEU-MRVPVSSYSA-N 493.873 7.212 50 10 JKGE C[C@H](c1ccccc1)[C@H](Br)c1cc(Br)c(Br)cc1F 2225615045 BYHTUXBCSDPMEG-PSLIRLAXSA-N 450.971 6.590 50 10 JKGE Cc1cc(Br)c([C@@H](Cl)c2scc(Cl)c2Cl)c(C)c1Br 2227347674 JMTXEHZQDAECCQ-GFCCVEGCSA-N 463.449 7.525 50 10 JKGE CC(C)(C)OC(=O)N1CCC[C@@](CBr)(OCCCC(F)(F)C(F)(F)F)C1 2231716854 HQEVCAJRHJFTRE-AWEZNQCLSA-N 454.274 5.145 50 10 JKGE COc1ccc([C@@H](Br)c2sc(C)c(Br)c2C)c(Cl)c1Cl 2234464860 RLJRSXCHTCIKHI-LLVKDONJSA-N 459.030 6.927 50 10 JKGE Cc1c([C@@H](Br)c2cc3sc(Br)cc3s2)c(Br)nn1C 2278092820 DZOAWQHOECCOFW-NSHDSACASA-N 485.064 6.014 50 10 JKGE Cc1sc(Br)c([C@H](Br)c2cc(Br)cc(C(C)C)c2)c1C 2280676490 GHKVJNHWYNIBMS-OAHLLOKOSA-N 481.091 7.498 50 10 JKGE COc1c([C@@H](Br)c2coc(Br)c2)cc(Br)c2c1CCC2 2284596562 UQEMTUXSVCLWRM-AWEZNQCLSA-N 464.979 5.786 50 10 JKGE COc1ccc([C@@H](Br)c2cc(C)c(F)cc2F)cc1I 2285012299 RNAFXWLRMGEWQJ-OAHLLOKOSA-N 453.064 5.371 50 10 JKGE CCOc1cccc(NC(=O)C(C#N)=Cc2ccc(OCc3ccc(F)cc3)c(Br)c2)c1 2294193408 MPSWQOHVAZQEED-UHFFFAOYSA-N 495.348 6.112 50 10 JKGE CCCc1cc(C(=O)OC)c(NC(=O)C(C#N)=Cc2ccccc2OCc2ccccc2F)s1 2295353414 UKYTVIACHUAZSQ-UHFFFAOYSA-N 478.545 5.751 50 10 JKGE N#CC(=Cc1cn(Cc2ccc(Cl)cc2)c2ccccc12)c1nn(-c2ccccc2)c(N)c1C#N 2296737725 FFZNXQBESJLVLS-UHFFFAOYSA-N 474.955 6.047 50 10 JKGE Cc1ccc(CSC(Nc2c(C)cccc2C)=C(C#N)S(=O)(=O)c2ccccc2)c(C)c1 2297349919 BTELHFONBREJDU-UHFFFAOYSA-N 462.640 6.432 50 10 JKGE Cc1c(C=C(C#N)C(=O)NCc2ccccc2)c2ccccc2n1CCOc1ccccc1Cl 2297498711 OEYKCHMPSKTCFB-UHFFFAOYSA-N 469.972 5.906 50 10 JKGE CCc1ccsc1[C@H](Br)c1ccc(OCc2ccccc2)cc1Br 2299530764 PGSXFXFDWMGCCQ-LJQANCHMSA-N 466.238 7.136 50 10 JKGE Cn1nc(Br)c(Br)c1[C@@H](Br)c1ccc(Br)cc1 2301119906 ZFFZSEOOJTTXHV-QMMMGPOBSA-N 487.815 5.192 50 10 JKGE COc1cc(C=C(C#N)C(=O)Nc2cccc(C)c2)ccc1OCc1ccc(Cl)c(Cl)c1 2313510943 FQYGJRJVFSBAPN-UHFFFAOYSA-N 467.352 6.435 50 10 JKGE CCOc1cc(C=C(C#N)C(=O)Nc2ccccc2)cc(Br)c1OCc1ccc(C)cc1 2313518606 LBJREHFUTPDVOZ-UHFFFAOYSA-N 491.385 6.281 50 10 JKGE CCc1cc(Br)ccc1-c1ccc(C=C(C#N)C(=O)Nc2ccc(Cl)cc2)o1 2313553072 CXKICLPXBLJCIG-UHFFFAOYSA-N 455.739 6.471 50 10 JKGE Cc1ccc(NC(=O)C(C#N)=Cc2cc(C)n(-c3ccc(N4CCOCC4)cc3)c2C)c(C)c1 2313624026 IYCMOXMZPINUHI-UHFFFAOYSA-N 454.574 5.093 50 10 JKGE Brc1cc(OCc2ccccc2)ccc1[C@H](Br)[C@@H]1C[C@H]2O[C@H]1[C@@H]1C[C@@H]21 2314456276 VVQDKKVONHBDMF-AGMFQBESSA-N 464.197 5.888 50 10 JKGE N#CC(=Cc1ccc(-c2ccc(Br)cc2)o1)C(=O)Nc1ccc(OC(F)(F)F)cc1 2314572039 RDAJDRZLTLDCSB-UHFFFAOYSA-N 477.236 6.153 50 10 JKGE Cc1nscc1[C@@H](Br)c1c(Cl)cc(Br)c(F)c1Br 2315440190 PMNMQRGSJXZHAV-SECBINFHSA-N 478.406 6.253 50 10 JKGE C[C@@H]1CCO[C@H]1[C@H](Br)c1c(Cl)cc(Br)c(F)c1Br 2315449847 VMFAFBLULINQQJ-DQMYXGJXSA-N 465.382 5.865 50 10 JKGE FC(F)(C1CCCCC1)[C@@H](Br)c1sc(Cl)cc1I 2316596861 KLFFFSILHUJGLN-NSHDSACASA-N 469.560 6.658 50 10 JKGE CCCOc1ccc(C=NNC(=O)c2nc(-c3ccccc3)sc2C)cc1Br 2323749911 IUBSGUDEEQUXGF-UHFFFAOYSA-N 458.381 5.434 50 10 JKGE N#CC(=CNc1ccc(Cl)cc1C(F)(F)F)C(=O)Nc1ccc(Cl)c(C(F)(F)F)c1 2325384970 HWDFXIVFVRFSQD-UHFFFAOYSA-N 468.184 6.489 50 10 JKGE Cc1cc(I)ccc1NC(=O)C(C#N)=CN[C@H](C)C12CC3CC(CC(C3)C1)C2 2325406089 WDVXJPZHICQHDU-LRYXAPPNSA-N 489.401 5.140 50 10 JKGE COc1cc(C=C(C#N)c2nc3ccccc3s2)ccc1OC(=O)c1ccc(Cl)cc1Cl 2331025572 QOXLYIDGPQVQNF-UHFFFAOYSA-N 481.360 6.895 50 10 JKGE COCCOc1ccc(C=C(C#N)C(=O)Nc2nc(-c3ccc4ccccc4c3)cs2)cc1 2331123742 OCWXIIQZLJBIHK-UHFFFAOYSA-N 455.539 5.534 50 10 JKGE CCCCc1ccc(N2C[C@H](C(O)=C(C#N)c3nc(-c4ccc(CC)cc4)cs3)CC2=O)cc1 2331245698 KZNZZVGRCQFGRY-JOCHJYFZSA-N 471.626 6.561 50 10 JKGE COc1ccc(-c2csc(C(C#N)=C(O)C=Cc3ccc(OCc4ccccc4)cc3)n2)cc1F 2331336041 IHAZXFWYCGDLHA-UHFFFAOYSA-N 484.552 7.043 50 10 JKGE Cc1csc(C(C#N)=C(O)CN2C(=O)c3c(Cl)c(Cl)c(Cl)c(Cl)c3C2=O)n1 2331400104 JAMFIBRKTZBEMO-UHFFFAOYSA-N 463.129 5.154 50 10 JKGE C[C@H](Oc1ccc(Cl)cc1)C(O)=C(C#N)c1nc(-c2cc(Cl)ccc2Cl)cs1 2331404500 MTUOEQBHKSGGHF-NSHDSACASA-N 451.762 7.030 50 10 JKGE COc1cccc(-c2csc(C(C#N)=Cc3ccc(OCc4ccccc4Cl)cc3)n2)c1 2331421267 CLVUNDJKGUBQAW-UHFFFAOYSA-N 458.970 7.115 50 10 JKGE COc1ccc(C(C)(C)C)cc1-c1csc(C(C#N)=Cc2c(OC)ccc3ccccc23)n1 2331461077 HMVFDEQKNBKSEK-UHFFFAOYSA-N 454.595 7.342 50 10 JKGE Cc1cc(Br)c([C@H](Br)[C@H]2COC3(C)CC2C3)cc1Br 2337684235 XESUWZWHMXSXKD-PQVGHKBNSA-N 453.012 5.771 50 10 JKGE FC1(F)CCC2(CC1)C[C@@H]2[C@@H](Br)c1sc(Cl)cc1I 2338567314 YWUIEQMISPCAJF-GMSGAONNSA-N 481.571 6.658 50 10 JKGE COc1cccc(Oc2cc(Br)cc(Br)c2)c1CBr 2338759636 YFAHLICIPYQDKZ-UHFFFAOYSA-N 450.952 5.907 50 10 JKGE Cc1cc(Br)c(F)c(Br)c1[C@H](Br)[C@@](C)(F)C(C)(C)F 2339655136 CUQRPHWYLTZTET-WCQYABFASA-N 466.961 6.571 50 10 JKGE Cc1cc(Br)c(F)c(Br)c1[C@@H](Br)[C@@]1(C)CCCOC1 2339685307 SCSHGSCTWLVAHF-KGLIPLIRSA-N 458.991 5.912 50 10 JKGE Fc1cc(Cl)c(Br)c(Cl)c1[C@@H](Br)[C@@H]1COCCC1(F)F 2360484683 USTABQVMXHNZEV-CDUCUWFYSA-N 456.911 6.003 50 10 JKGE Brc1ccc(OCc2ccccc2)c([C@@H](Br)c2ccc3c(c2)CCCC3)c1 2361195714 RGDAAYWTIMTKFV-DEOSSOPVSA-N 486.247 7.391 50 10 JKGE Brc1cc(OCc2ccccc2)ccc1[C@H](Br)[C@@H]1CCCc2ccccc21 2361195739 RIULRPQZVQMHON-ZJSXRUAMSA-N 486.247 7.584 50 10 JKGE Clc1ccc(CN2CCC3(CCC3)[C@H](CBr)C2)c(I)c1 2366708824 DTNNTDYYOUFFFA-CYBMUJFWSA-N 468.604 5.332 50 10 JKGE Cc1cc(CCl)c(OCc2ccc(I)c(Br)c2)nc1C 2377635700 BZADBWXNJNFMNZ-UHFFFAOYSA-N 466.544 5.383 50 10 JKGE Fc1cc(OCc2ccc(Cl)c(I)c2)cc(Cl)c1CBr 2379790893 UMYMCMNBKAIJEA-UHFFFAOYSA-N 489.937 6.211 50 10 JKGE COC1CC2(C1)CC(CBr)(Cc1cc(I)ccc1Cl)C2 2380518029 WOXQCDCMBCCABC-UHFFFAOYSA-N 469.588 5.457 50 10 JKGE CC[C@H](C)c1ccccc1O[C@H](CC)C(=O)NNC(=O)CCC(=O)Nc1ccc(Cl)cc1Cl 10683443 LXPKZWSBZFIXND-MGPUTAFESA-N 494.419 5.231 50 10 JKGE COc1cccc(CS/C(Nc2c(C)cc(C)cc2C)=C(\C#N)S(=O)(=O)c2ccccc2)c1 20325739 WPWQFEPRMLDAGD-SHHOIMCASA-N 478.639 6.132 50 10 JKGE N#C/C(=C/c1cccc(OC(=O)/C=C/c2ccc(Cl)cc2Cl)c1)c1ccc(Cl)cc1 31903072 GDDNZXYPYDZVBJ-DZQSTKOLSA-N 454.740 7.330 50 10 JKGE CCc1ccc(O[C@@H](C)C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@H]3c2ccc(C(C)C)cc2)cc1 38649638 ICDBDOARLQUDLE-VKGTZQKMSA-N 482.580 5.963 50 10 JKGE CCCCOc1ccccc1C(=O)Oc1ccc2c(c1)OC(N)=C(C#N)[C@@H]2c1ccccc1F 38652302 VIWKPFRDAVJUKA-RUZDIDTESA-N 458.489 5.442 50 10 JKGE CCCCOc1ccc(NC(=O)c2oc3c(c2C)/C(=N/NC(=O)c2ccccc2F)CCC3)cc1 40812410 QXPKBMMZZZHGOO-JBASAIQMSA-N 477.536 5.629 50 10 JKGE Cc1ccc(NC(=O)c2oc3c(c2C)/C(=N/NC(=O)c2ccc4ccccc4n2)CCC3)cc1C 40825795 QXEKLTJHMXCNSJ-DFKUXCBWSA-N 466.541 5.476 50 10 JKGE CCCCCCOc1ccc(/C=C(\C#N)C(=O)Nc2ccc(C(=O)OCCOCC)cc2)cc1OC 40853604 WPIQSULDZAGCGV-PTGBLXJZSA-N 494.588 5.393 50 10 JKGE CCCCCCOc1ccc(/C=N/NC(=O)[C@@H](C)Oc2ccc(-c3ccccc3)cc2)cc1OC 40959621 RDMQGBIXLCFOSR-CWPBYQMCSA-N 474.601 6.239 50 10 JKGE Cc1cc(/C=N/NC(=O)c2cc3ccccc3o2)c(C)n1-c1ccc(OCc2ccccc2C#N)cc1 59303694 FUTWYDGHJFNGPL-KCSSXMTESA-N 488.547 6.055 50 10 JKGE CCCCCCCCCCCCCCCCCCN(C)C(=S)N[C@H]1CS(=O)(=O)C[C@@H]1Cl 59568395 UWERRKKKZDFYFU-GOTSBHOMSA-N 495.239 6.459 50 10 JKGE COc1cc([N+](=O)[O-])ccc1-c1ccc(/C=N/NC(=O)c2cc3cc(Br)ccc3o2)o1 59680018 DYZRLYHJJXQOMH-FOKLQQMPSA-N 484.262 5.136 50 10 JKGE CC(C)(C)c1ccc(OCCn2cc(/C=C(/C#N)C(=O)NCc3ccco3)c3ccccc32)cc1 96577901 DMDWQYHSEZUNTH-FXBPSFAMSA-N 467.569 5.834 50 10 JKGE COc1c(Br)cc(Cl)cc1[C@@H](Br)c1cccc(Br)c1C 115983402 GRGISFWDKLRTAK-AWEZNQCLSA-N 483.425 6.666 50 10 JKGE CCCCOCCC(CBr)(CBr)c1ccccc1Br 118671987 WMPAEEXFGHJUDL-UHFFFAOYSA-N 457.044 5.684 50 10 JKGE Fc1cccc(Cl)c1CC(CBr)(CBr)c1ccc(Cl)cc1 118877012 YQXSADZIGDRDKV-UHFFFAOYSA-N 454.992 6.403 50 10 JKGE CC[C@@H](Cl)c1cn(-c2c(Br)cc(Br)cc2Br)nn1 163052646 OMYOVNFXPKEPAE-SECBINFHSA-N 458.379 5.245 50 10 JKGE CCN(Cc1ccccc1)c1ccc(/C=N\NC(=O)c2ccc3[nH]c4c(c3c2)CCCC4)cc1 169890014 FMDKHDZPUCPKKO-FSGOGVSDSA-N 450.586 5.837 50 10 JKGE CCCCOC(=O)c1ccccc1NC(=O)/C(C#N)=C\NC1CCCCCCCCCCC1 217240488 CJTYXFQPWCRGTC-DQRAZIAOSA-N 453.627 6.252 50 10 JKGE Cc1sc([C@H](Br)c2ccc(I)cc2)cc1Br 227837809 KUJMLJMMOMJHKD-GFCCVEGCSA-N 471.983 5.908 50 10 JKGE Cc1cc([C@@H](Br)c2cccc(Br)c2Cl)sc1Br 228453827 YFRDDCLELMEOSE-JTQLQIEISA-N 459.428 6.719 50 10 JKGE COc1ccc(OC)c([C@@H](Br)c2ccc(I)c(Cl)c2)c1 232342718 XDGDPHZQEJWVFB-HNNXBMFYSA-N 467.528 5.446 50 10 JKGE O=c1[nH]c2ccc([C@H](Br)c3cc(Br)sc3Br)cc2o1 232484940 JSEBOKNCKKXBEC-JTQLQIEISA-N 467.964 5.192 50 10 JKGE Cc1sc(Br)cc1[C@@H](Br)c1cc(Cl)ccc1Br 235816823 VAURILRZGANRBW-GFCCVEGCSA-N 459.428 6.719 50 10 JKGE O=C(Cc1cccc2ccccc12)NN=Cc1ccc(Sc2nc3ccc([N+](=O)[O-])cc3s2)o1 254288197 JUEHDCQUNXSJMD-UHFFFAOYSA-N 488.550 5.795 50 10 JKGE C/C(C=NNC(=O)CSc1nnc(-c2ccccc2)n1-c1ccccc1)=C/c1ccccc1 254843977 DXYRRPFOBBRUKD-AUHZYGIBSA-N 453.571 5.232 50 10 JKGE CCOc1cc(C=NNC(=O)COc2c(C)cccc2C)ccc1OC(=O)c1cccc2ccccc12 254844221 HYWLDKVIRMYJTE-UHFFFAOYSA-N 496.563 5.604 50 10 JKGE C[C@@]1(Cn2c(CCl)nc3cc(Br)c(F)cc32)CCCN1Cc1ccccc1 398046979 CJTUFILOPLGSBA-NRFANRHFSA-N 450.783 5.731 50 10 JKGE Clc1cc([C@@H](Br)c2ncsc2Br)c(Cl)c(Cl)c1Cl 698680967 IPNBKTNLWGLMIV-RXMQYKEDSA-N 470.828 7.004 50 10 JKGE CCOc1cc(Cl)c([C@H](Cl)c2scc(Br)c2Br)cc1Cl 705463539 JTFKVINGXHHQKA-LBPRGKRZSA-N 479.448 7.307 50 10 JKGE COc1ccc([C@@H](Br)Cc2ccc(Br)cc2F)cc1Br 710301288 WJWCQULSDZUQRM-LBPRGKRZSA-N 466.970 6.038 50 10 JKGE CCOc1ccc([C@@H](Cl)c2cccc(F)c2I)cc1Br 721699171 UYUCBILXYQSURI-CQSZACIVSA-N 469.519 5.920 50 10 JKGE CC(=NNC(=O)CSCc1ccc(C)cc1)c1ccc2c(c1)[C@@H]1C=CC[C@@H]1[C@H](c1ccccc1)N2 725425925 MZYKQGFEKMBAMT-YIIWZEITSA-N 481.665 6.595 50 10 JKGE Cc1ccc(NC(=O)/C(C#N)=C\c2cc(Br)ccc2OCc2ccc(F)cc2)c(C)c1 1084012701 JAHBOTBJTBCCLH-NDENLUEZSA-N 479.349 6.330 50 10 JKGE CC(=NNC(=O)c1ccc(NC(=O)c2ccc(C(C)(C)C)cc2)cc1)c1cccc([N+](=O)[O-])c1 1084055019 WEBPRTKBLBRSDA-UHFFFAOYSA-N 458.518 5.299 50 10 JKGE O=C(NN=Cc1cc(Cl)ccc1OCc1cccc2ccccc12)c1ccccc1Br 1084213416 OKMUTJREJLJSKW-UHFFFAOYSA-N 493.788 6.599 50 10 JKGE O=C(NN=C(CSc1nc2ccccc2o1)c1ccc2ccccc2c1)c1ccccc1Cl 1084483237 ROQLOTUGNWKRHW-UHFFFAOYSA-N 471.969 6.561 50 10 JKGE Cc1cc(OC(=O)c2oc3c(c2C)C(=NNC(=O)c2ccccc2)CCC3)cc(C)c1Cl 1772744795 JMVJIZILFWZMKG-UHFFFAOYSA-N 450.922 5.548 50 10 JKGE Cc1cccc(C(=O)NN=C2CCCc3oc(C(=O)Nc4ccccc4C(F)(F)F)c(C)c32)c1 1772745247 VTOFQJXKWLBBHH-UHFFFAOYSA-N 469.463 5.638 50 10 JKGE Cc1c(C(=O)N(C)Cc2ccccc2)oc2c1C(=NNC(=O)c1ccc(Cl)cc1Cl)CCC2 1772745743 KAMUQNIACFSMAJ-UHFFFAOYSA-N 484.383 5.637 50 10 JKGE CCCc1nn(Cc2ccc(Cl)cc2)c2c1[C@H](c1c(F)cccc1Cl)C(C#N)=C(N)O2 1865682772 XHECCCDQRYDNQY-IBGZPJMESA-N 457.336 5.548 50 10 JKGE CCCc1nn(Cc2ccc(Cl)cc2)c2c1[C@H](c1c(Cl)cccc1Cl)C(C#N)=C(N)O2 1865684921 AZHGYNLXYHVNLR-IBGZPJMESA-N 473.791 6.062 50 10 JKGE CCCc1nn(Cc2c(F)cccc2Cl)c2c1[C@@H](c1c(Cl)cccc1Cl)C(C#N)=C(N)O2 1865686229 SKLAWQNXYQUYMB-LJQANCHMSA-N 491.781 6.201 50 10 JKGE N#CC1=C(N)Oc2c(c(-c3ccccc3)nn2Cc2cccc(Cl)c2)[C@@H]1c1ccc2c(c1)OCCO2 1865697871 DJFORBQUTNCVEB-XMMPIXPASA-N 496.954 5.241 50 10 JKGE N#CC1=C(N)Oc2c(c(C(F)(F)F)nn2-c2ccc(Cl)cc2)[C@H]1c1ccc(Cl)c([N+](=O)[O-])c1 1865705982 LDXXXCQRTKBFNH-HNNXBMFYSA-N 496.232 5.324 50 10 JKGE COc1cc([C@H]2C(C#N)=C(N)Oc3c2c(-c2ccccc2)nn3-c2cccc3ccccc23)ccc1O 1865706323 SZDMIBBSVBRJCK-SANMLTNESA-N 486.531 5.625 50 10 JKGE CCCc1nn(-c2cccc3ccccc23)c2c1[C@H](c1ccc(OC)c(OC)c1)C(C#N)=C(N)O2 1865707556 ZKGALTGLAMDDJY-RUZDIDTESA-N 466.541 5.213 50 10 JKGE CCC[C@@H](NC(=O)Cc1nc(-c2ccc(CC)cc2)oc1C)C(=O)Nc1ccc(SC#N)cc1 1867178589 HGJPOHHBPOZGPX-JOCHJYFZSA-N 476.602 5.252 50 10 JKGE Cc1cc(OCc2cccc(CCl)c2)cc2c1C(=O)/C(=C/c1ccc(Cl)cc1Cl)O2 1871437259 OKQXSTAFRRLSDK-AFPJDJCSSA-N 459.756 7.236 50 10 JKGE CCCCc1ccc(-c2csc(/C(C#N)=C(\O)CCc3nc4ccccc4[nH]c3=O)n2)cc1 1872745152 XJQTZKOQKVKDAV-CLCOLTQESA-N 456.571 5.815 50 10 JKGE C[C@H](c1ccccc1)N1C[C@H](/C(O)=C(\C#N)c2nc(-c3c[nH]c4ccccc34)cs2)CC1=O 1872753494 ZOWRUBBFRXIPGP-NXYLUXQOSA-N 454.555 5.694 50 10 JKGE COc1cc(-c2csc(/C(C#N)=C(\O)COc3ccc(Cl)c(C)c3)n2)c(OC)cc1Cl 1872754615 AOCUEBRCDMVRIB-CYVLTUHYSA-N 477.369 6.314 50 10 JKGE COc1cc(-c2csc(/C(C#N)=C(\O)Cc3ccc(OC)c(OC)c3)n2)c(OC)cc1Cl 1872754661 CVZOSIUEHTYKEW-SDXDJHTJSA-N 472.950 5.533 50 10 JKGE N#C/C(=C\c1c(OCc2ccccc2)ccc2ccccc12)c1nc(-c2cccc(Cl)c2)cs1 1872790080 JRAOYTIOVGHMRI-XQNSMLJCSA-N 479.004 8.260 50 10 JKGE CCCCCOc1ccc(/C=C(\C#N)c2nc(-c3cc(Cl)cc(C)c3OC)cs2)cc1 1872794122 LECDUFJVXXMVGU-CPNJWEJPSA-N 453.007 7.414 50 10 JKGE CCC[C@H]1CC[C@H]([C@H](Cl)c2c(Br)sc(Br)c2Br)CC1 1878020187 KVQUDTQDTPYUIQ-AUTRQRHGSA-N 493.530 7.922 50 10 JKGE Cl[C@H](c1ccc(OCc2ccccc2)cc1Br)c1cnsc1Br 1900432655 ZVFPVTSCYFOCJL-MRXNPFEDSA-N 473.617 6.575 50 10 JKGE O=C1c2ccccc2C(=O)N1C[C@@H](Cl)CCc1cccc(Br)c1Br 1905342913 MAOICFPPWJBUTF-LBPRGKRZSA-N 471.576 5.048 50 10 JKGE Cc1nsc(Br)c1[C@@H](Br)c1sc(C)c(Br)c1C 1912932080 LZJPINFUVGRXRO-SECBINFHSA-N 460.054 6.139 50 10 JKGE Cc1c(Br)sc([C@H](Br)c2ccc3sccc3c2)c1Br 1922895613 XOLZFJQGUINFHT-GFCCVEGCSA-N 481.072 7.281 50 10 JKGE Cc1c(Br)sc([C@H](Br)c2c(Cl)cccc2Cl)c1Br 1922898816 YFZAIHVUYUFXOP-SNVBAGLBSA-N 493.873 7.373 50 10 JKGE Cc1c(Br)sc([C@H](Br)[C@H]2Cc3ccccc3O2)c1Br 1922899689 DSAUKMYTBIQDBU-ZYHUDNBSSA-N 467.020 6.021 50 10 JKGE Fc1cccc(Cl)c1[C@@H](Br)c1sc(Br)cc1Br 1922934937 LETNAOAICBHTRN-SNVBAGLBSA-N 463.391 6.550 50 10 JKGE COc1ccc(Cl)cc1[C@H](Cl)c1c(Br)sc(Br)c1Cl 1923066062 LHVKKAJMFHWDBR-VIFPVBQESA-N 465.421 6.917 50 10 JKGE O=S1(=O)CCC([C@H](Br)c2c(Cl)sc(Br)c2Cl)CC1 1925545377 DWQVPZIQPXVFPR-ZETCQYMHSA-N 457.036 5.078 50 10 JKGE Clc1cc(Br)c([C@H](Br)c2ccc(Br)s2)s1 1933589560 UKVJQGNJMPVDEV-MRVPVSSYSA-N 451.430 6.472 50 10 JKGE Cc1sc([C@H](Cl)c2c(Br)cccc2Br)cc1Br 1945320933 CJZKHHNJZJROKM-LBPRGKRZSA-N 459.428 6.672 50 10 JKGE Cl[C@@H](c1c(Br)sc(Br)c1Br)[C@H]1[C@H]2C[C@@H]3[C@H]1[C@@H]3C2 2016561837 HSJFDZLTBDVFQB-RWHZOPHQSA-N 461.444 6.218 50 10 JKGE Clc1cnccc1C[C@@H](Br)c1cccc(Br)c1Br 2031484240 KWSSHFLIAGXHCL-LLVKDONJSA-N 454.387 5.939 50 10 JKGE COCc1cc(Br)c([C@@H](Br)c2cc(Cl)c(Cl)s2)s1 2038479419 WMWZRCPSSKALBB-VIFPVBQESA-N 451.032 6.510 50 10 JKGE CN(c1cccc(Br)c1CBr)[C@@H]1CC(C)(C)[C@H]1OCc1ccccc1 2038795368 STJIMYLUNIAJIE-UXHICEINSA-N 467.245 6.164 50 10 JKGE Cc1cc(Br)c(C)c([C@H](Br)c2ccc(Cl)s2)c1Br 2081070883 LKIBCLACXBVMKD-CYBMUJFWSA-N 473.455 7.028 50 10 JKGE Cc1c(Br)ccc([C@@H](Cl)c2cnn(C)c2Br)c1Br 2083329930 JAGJSTFPUHUQKG-LLVKDONJSA-N 457.391 5.344 50 10 JKGE COc1c(C)cc(Br)cc1[C@@H](Br)c1csnc1Br 2085633790 CDGACQKCQDDJKM-SNVBAGLBSA-N 455.997 5.469 50 10 JKGE FC1(F)CCN(Cc2c(Br)cccc2Br)CC[C@H]1Br 2094093773 UWNSTUHKJJPJGK-GFCCVEGCSA-N 461.970 5.206 50 10 JKGE Brc1cccc(Br)c1CN1C[C@H]2[C@@H](Br)CCC[C@H]2C1 2094580056 FWKSJENXAZFIOL-LOWVWBTDSA-N 452.028 5.207 50 10 JKGE CN(C[C@@]1(Br)CC1(F)F)c1cc(Br)cc(F)c1CBr 2137813572 GLGNDVNPADABTP-NSHDSACASA-N 465.933 5.092 50 10 JKGE Brc1ccc([C@H](Br)[C@H]2C[C@H]2C2CCCCC2)c(Br)c1 2138850847 IMPLIRMQGDDPJL-DZKIICNBSA-N 451.040 6.864 50 10 JKGE Cc1c(Br)ccc([C@@H](Br)CC23CCC(CC2)C3)c1Br 2138872019 IKBCCRCDTJADTE-WMEQCIOUSA-N 451.040 6.926 50 10 JKGE Fc1cccc(CBr)c1OCc1ccc(I)c(Cl)c1 2142947864 WIXBYUSBXUZCSS-UHFFFAOYSA-N 455.492 5.558 50 10 JKGE CN(Cc1ccc(Br)cc1)c1c(CBr)ccc(Br)c1Cl 2154364511 KUMUWUDWVSNCLV-UHFFFAOYSA-N 482.441 6.396 50 10 JKGE ClCc1ccc(Br)c(Cl)c1N1CC[C@]2(CN(Cc3ccccc3)CCO2)C1 2154367787 SBHRGKLSKIGISZ-NRFANRHFSA-N 470.238 5.323 50 10 JKGE Cc1c(Br)sc([C@H](Br)C23CC(C)(C2)OC32CCC2)c1Br 2157462960 AHBNYXUPDJNPLH-XGNXJENSSA-N 485.079 6.509 50 10 JKGE COc1cc([C@H](Cl)c2cc(Br)c(Cl)s2)c(OC)cc1Br 2172568893 HLMRITQYOUUTII-LBPRGKRZSA-N 461.002 6.272 50 10 JKGE Cc1ccccc1C[C@@H](Br)c1cc(Br)c(Br)cc1F 2225615282 FUJIZXMVOGPWIJ-GFCCVEGCSA-N 450.971 6.338 50 10 JKGE Fc1cc(Br)c(Br)cc1[C@H](Br)C[C@H]1C[C@H]2CC[C@H]1C2 2225617907 WKXVWPWHULJUBK-UXCLJVHYSA-N 455.003 6.613 50 10 JKGE Brc1ccc(CN2C[C@H](Br)CC23CCCC3)c(Br)c1 2232263895 VVRQLXCOENZLLV-CYBMUJFWSA-N 452.028 5.494 50 10 JKGE Brc1cnc(N2C[C@@H](Br)CC23CCCCC3)c(Br)c1 2232272869 GLXQTERWRITTFM-NSHDSACASA-N 453.016 5.283 50 10 JKGE Cc1cc(Br)c([C@H](Cl)c2cc(F)cc(Br)c2)c(C)c1Br 2235603364 IWWPODKACQTVJX-OAHLLOKOSA-N 485.416 7.058 50 10 JKGE Cc1cc(Br)c([C@@H](Br)[C@@H]2CCCC3(CC3)C2)c(C)c1Br 2235613593 ZCTOQWXXFULVGM-WBMJQRKESA-N 465.067 7.235 50 10 JKGE C[C@H](Br)COCC#Cc1sc(Br)c(Br)c1Br 2246095897 HYBVIRRAMDDCOT-LURJTMIESA-N 495.856 5.187 50 10 JKGE FC1(F)C[C@@H]([C@H](Br)c2sc(Br)cc2Br)C12CCC2 2254861395 OODOUYVAXLVTDC-RCOVLWMOSA-N 464.995 6.535 50 10 JKGE C[C@H](Br)CN(C(=O)c1cc(Br)sc1Br)C(C)(C)C 2259761772 JNRZONWWTSCFQQ-ZETCQYMHSA-N 462.045 5.297 50 10 JKGE COC1([C@H](Br)c2cc(Br)c(Br)cc2F)CC(CF)C1 2266351412 XKVXJJNNFIPSEL-JDFFRZJASA-N 462.954 5.551 50 10 JKGE Fc1cc(Br)c(F)c(Br)c1[C@@H](Br)[C@@H]1C(F)(F)C12CC2 2272748119 ROFKXISMTFUKJL-SCZZXKLOSA-N 466.892 5.971 50 10 JKGE Fc1cc(Br)c(Br)cc1[C@H](Br)[C@]12CCCC[C@H]1CC2 2273345613 WHQRXTOMSVXVRL-LNHVQRHZSA-N 455.003 6.757 50 10 JKGE FC1(F)CCC[C@@H]([C@H](Br)Cc2cc(Br)cc(Br)c2)C1 2277961540 VIOKAWBXZMFSGF-ZWNOBZJWSA-N 460.982 6.343 50 10 JKGE Cc1cc(C)c(COc2c(Br)cc(CBr)cc2Br)cn1 2284040532 PMDASEDVPWWIKN-UHFFFAOYSA-N 463.995 5.697 50 10 JKGE COCc1cc(Br)c([C@H](Cl)c2cc(Br)c(F)cc2Cl)s1 2285945842 LWDVADHNKJUGIT-GFCCVEGCSA-N 462.993 6.540 50 10 JKGE Fc1cc(Br)c(F)c(Br)c1[C@@H](Br)c1cscc1C(F)F 2288362177 GVVKMWYERLWYMA-VIFPVBQESA-N 496.943 6.973 50 10 JKGE Clc1cccc(Cl)c1C[C@H](Br)c1cc2sc(Br)cc2s1 2295506915 POBLHQLHWMVJQK-QMMMGPOBSA-N 471.066 7.711 50 10 JKGE CCCCc1ccc(C[C@@H]2SC(=C(C#N)C(=O)NCc3ccccc3)N(c3ccccc3)C2=O)cc1 2296506786 FEQOLZOWRZRLTK-MHZLTWQESA-N 495.648 5.772 50 10 JKGE CCN(C[C@@](C)(CI)O[C@@H]1CCCC[C@@H]2C[C@@H]21)C(=O)OC(C)(C)C 2302879234 YTOMMIJJTWSQLD-YYAJDYIMSA-N 451.389 5.032 50 10 JKGE N#CC(=Cc1ccccc1OCc1ccc(Cl)c(Cl)c1)C(=O)Nc1ccc(Cl)cc1 2313630471 AJOGSNBGRNUCAO-UHFFFAOYSA-N 457.744 6.771 50 10 JKGE Fc1cc(Cl)c(Br)c(Cl)c1[C@@H](Br)c1ccsc1Br 2313826665 LPHXRHIXCFCQNJ-QMMMGPOBSA-N 497.836 7.203 50 10 JKGE Fc1c(Br)cccc1[C@@H](Cl)c1ccc(OCc2ccccc2)cc1Br 2314452064 JPVPHYAUWDSEBF-IBGZPJMESA-N 484.590 7.258 50 10 JKGE CCOc1ccc(-c2nn(-c3ccccc3)cc2C=C(C#N)C(=O)NC2CCCCC2)cc1Cl 2314476817 WMZRDXYXTHLMSO-UHFFFAOYSA-N 474.992 5.947 50 10 JKGE Cc1cc(Oc2nc3ccccn3c(=O)c2C=C(C#N)C(=O)Nc2cccc(Cl)c2)ccc1Cl 2314533866 UIQXPYKIUVZVLM-UHFFFAOYSA-N 491.334 5.648 50 10 JKGE Cc1cccc(NC(=O)C(C#N)=C2S[C@H](Cc3ccc(F)cc3)C(=O)N2c2ccc(C)c(C)c2)c1 2314591891 GXVVJVNVRGOFPK-RUZDIDTESA-N 485.584 5.816 50 10 JKGE COc1ccc(N2C(=O)[C@H](Cc3ccccc3C)SC2=C(C#N)C(=O)N[C@@H](C)c2ccccc2)cc1 2314593789 SWOAEVLIVNZHFZ-FNZWTVRRSA-N 497.620 5.307 50 10 JKGE Brc1cc(Br)c([C@@H](Br)[C@@H]2COC3(CCC3)CO2)s1 2316793222 WGNNJOBTXAIKFE-WPRPVWTQSA-N 461.013 5.047 50 10 JKGE Cc1ccc(SCCCC(=O)NNC(=O)C=Cc2ccc(OCc3ccccc3)cc2)cc1 2321066319 JOBDZKNXTQGBME-UHFFFAOYSA-N 460.599 5.307 50 10 JKGE FC(F)(F)[C@H]1C[C@@H]([C@H](Br)c2cc(Br)ccc2Br)C1 2327678780 ZAEICTNPOUXJDZ-CVJICSNFSA-N 450.918 6.236 50 10 JKGE COc1cccc(-c2csc(C(C#N)=C(O)[C@H]3CC(=O)N(c4cc(Cl)ccc4OC)C3)n2)c1 2331246598 FBLNAKAPOOFHQP-HNNXBMFYSA-N 481.961 5.326 50 10 JKGE CC[C@H](C)[C@H](C(O)=C(C#N)c1nc(-c2ccc(OC)cc2)cs1)N1C(=O)c2ccccc2C1=O 2331276355 LYXHOHJJTPQEKM-OYHNWAKOSA-N 473.554 5.322 50 10 JKGE Cc1ccc(-c2csc(C(C#N)=C(O)[C@@H](C)Oc3ccc(Cl)cc3Br)n2)cc1 2331312537 IUUSYJDLPVNFCD-CYBMUJFWSA-N 475.795 6.795 50 10 JKGE COc1c(C)cc(C)cc1-c1csc(C(C#N)=C(O)C=Cc2ccc(OCc3ccccc3)cc2)n1 2331373320 ZYBXVBIAXODMII-UHFFFAOYSA-N 494.616 7.521 50 10 JKGE COc1cc(-c2csc(C(C#N)=C(O)C=Cc3ccc(Cl)cc3Cl)n2)c(OC)cc1Cl 2331376940 MKHCKILKHIXVDY-UHFFFAOYSA-N 493.799 7.294 50 10 JKGE Cc1ccc(-c2csc(C(C#N)=Cc3ccc(OCc4ccccc4Cl)cc3)n2)cc1C 2331473164 RJYLTGPQCLKGNW-UHFFFAOYSA-N 456.998 7.724 50 10 JKGE COc1c(Cl)cc(-c2csc(C(C#N)=Cc3cc(Br)ccc3F)n2)cc1Cl 2331480382 MQSSEBDGNGEELD-UHFFFAOYSA-N 484.177 7.091 50 10 JKGE Brc1cc(OCc2ccccc2)ccc1[C@H](Br)[C@@H]1C[C@H]1c1ccccc1 2336042554 AIQFUXZXJAHXCI-XJUOHMSHSA-N 472.220 7.268 50 10 JKGE COc1cccc([C@H](Br)c2cc(Br)ccc2OCc2ccccc2)c1F 2336049445 CRWKKJCCGLBCDU-FQEVSTJZSA-N 480.171 6.660 50 10 JKGE CCC(CC)([C@@H](Br)c1cc(Br)ccc1OCc1ccccc1)C(F)(F)F 2336074255 DGXHVLPZDBQFQW-SFHVURJKSA-N 494.189 7.833 50 10 JKGE CC1(C)[C@H]2CC[C@@H](C2)[C@H]1[C@@H](Br)c1cc(Br)ccc1OCc1ccccc1 2336076595 AJGLNBPBHIGIPE-FHQLIMNDSA-N 478.268 7.536 50 10 JKGE COc1c(Br)cc(C)c([C@H](Br)C2CCCCC2)c1Br 2339650660 IILYTVPMASPQCU-CYBMUJFWSA-N 455.028 6.545 50 10 JKGE Fc1ccc(C[C@@H](Br)c2ccc(Cl)cc2I)c(F)c1 2340055876 HGYOKAKOHXLCBN-GFCCVEGCSA-N 457.483 5.902 50 10 JKGE C[C@H]1C[C@H]2C[C@]([C@@H](Br)Cc3cc(Br)cc(Br)c3)(C2)O1 2342805658 OPBGKQJAWHQNPX-LHAJWOIZSA-N 453.012 5.475 50 10 JKGE Brc1cc2c(cc1[C@@H](Br)c1sccc1Br)CCCO2 2343580629 NCGIOZOEJRZIRV-CYBMUJFWSA-N 467.020 6.082 50 10 JKGE CC(C)CC(CC(C)C)O[C@H](CI)c1ccc(Br)cc1 2360347208 QPCIGRILIHYNLG-QGZVFWFLSA-N 453.202 6.403 50 10 JKGE Cn1nc([C@@H](Cl)c2c(F)cc(Cl)c(Br)c2Cl)c(Br)c1Cl 2360424997 YIPOUVQOHGXAPR-VIFPVBQESA-N 485.793 6.373 50 10 JKGE Brc1cc(OCc2ccccc2)ccc1[C@@H](Br)C12CC3CC(CC(C3)C1)C2 2361199514 AJZMFMZPCODLIZ-HGJSICKSSA-N 490.279 7.681 50 10 JKGE Fc1c(Br)cc(Cl)c([C@H](Br)C2CC[C@@H]3C[C@H]3CC2)c1Br 2362226276 UMHIIZCOKXZDNQ-JRKPZEMJSA-N 489.448 7.266 50 10 JKGE Cc1c([C@H](Br)c2cc(Cl)c(Br)cc2F)ccc(Cl)c1Cl 2364549785 CHGYNLRWRYJAHI-ZDUSSCGKSA-N 461.383 7.341 50 10 JKGE COc1c(Br)cc(C)c([C@@H](Br)CCCC(F)(F)F)c1Br 2365195675 DNVUQYJEGCKBHC-QMMMGPOBSA-N 482.960 6.697 50 10 JKGE Brc1ccc([C@H](Br)c2cc3c(cc2Br)OCCC3)cc1 2369641251 XTHVLHJASOPAMJ-INIZCTEOSA-N 460.991 6.021 50 10 JKGE FC(F)(F)[C@H]1C[C@@H](CO[C@@H](CI)c2cccc(Br)c2)C1 2381177600 ZSGVJOSPFFCJML-NDMJEZRESA-N 463.075 5.530 50 10 JKGE N#C/C(=C/c1ccc(-c2ccc(Br)cc2)o1)C(=O)Nc1ccc(Br)cc1 27473887 IIBQBMOAHRVCGE-KAMYIIQDSA-N 472.136 6.017 50 10 JKGE C[C@@H]1CCc2c(sc3nc(/C(C#N)=C\c4ccc(-c5cc(Cl)ccc5Cl)o4)nc(O)c23)C1 33423326 AYFVIBSMKQJBSS-FNWMBBJUSA-N 482.392 7.153 50 10 JKGE COc1cccc(-c2csc(/C(C#N)=C\c3ccc(OCC(=O)c4cccc([N+](=O)[O-])c4)cc3)n2)c1 33470774 QWOKBZQERRTOPZ-MTJSOVHGSA-N 497.532 6.053 50 10 JKGE COc1ccccc1[C@@H]1C(C#N)=C(N)Oc2cc(OC(=O)C(c3ccccc3)c3ccccc3)ccc21 38650096 MRXJKOJHNLOHMF-LJAQVGFWSA-N 488.543 5.651 50 10 JKGE N#CC1=C(N)Oc2cc(OC(=O)c3cc([N+](=O)[O-])ccc3Cl)ccc2[C@@H]1c1cccc2ccccc12 38657980 PJOVHMVBFBGJOM-VWLOTQADSA-N 497.894 5.839 50 10 JKGE CCCCC1CCC(C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@@H]3c2ccc(C(C)C)cc2)CC1 38687104 NXRSONMUGMIFEO-NRSFRHGKSA-N 472.629 6.930 50 10 JKGE Cc1ccc2c(C)c(C(=O)Oc3ccc4c(c3)OC(N)=C(C#N)[C@@H]4c3cccc([N+](=O)[O-])c3)oc2c1 38688135 NENQJQBFZXVVRJ-XMMPIXPASA-N 481.464 5.395 50 10 JKGE Cc1ccc(C(=O)NNC(=O)c2oc3c(c2C)/C(=N/Nc2cccc(C(F)(F)F)c2)CCC3)cc1 40824060 IGJVZERAJFWZDY-NDZAJKAJSA-N 484.478 5.143 50 10 JKGE COc1ccccc1NC(=O)N/N=C/c1cc(Br)c(Sc2ccc(Cl)cc2)o1 59678319 WZLQQQUOFWTLMQ-SSDVNMTOSA-N 480.771 6.011 50 10 JKGE CCOc1cc(/C=C(/C#N)C(=O)Nc2ccc3c(c2)OCCO3)ccc1OCc1ccccc1C 96438578 MVROEEDXSILPIQ-HMAPJEAMSA-N 470.525 5.290 50 10 JKGE Cc1ccc(C)c(N/C=C(\C#N)c2nc(-c3cc4cc(Br)ccc4oc3=O)cs2)c1 100132631 JWHAMUXUMVZIMI-LFIBNONCSA-N 478.371 6.272 50 10 JKGE CCCCN1C(=O)C(C#N)=C(C)/C(=C\c2cn(-c3ccccc3)nc2-c2ccc(C)c(F)c2)C1=O 101333041 XZVSTKJAVBWBPS-OEAKJJBVSA-N 468.532 5.379 50 10 JKGE CCOc1ccc(NC(=O)/C(C#N)=C\c2c(Oc3ccc(C)cc3C)nc3c(C)cccn3c2=O)cc1 102851264 HBCOATTVSNMQPB-PGMHBOJBSA-N 494.551 5.356 50 10 JKGE Cc1ccc(-c2c(C)sc3ncn(CC(=O)/C(C#N)=C4/Nc5ccccc5S4)c(=O)c23)cc1 103908151 YVCXUFNUUTWLIA-QJOMJCCJSA-N 470.579 5.264 50 10 JKGE CCCCCCCCCCCCCC(=O)N/N=C/c1cn(-c2ccccc2)nc1-c1ccccc1 105051523 PAQVUHQGIVLRTN-QFMPWRQOSA-N 472.677 7.691 50 10 JKGE O=C(OC(=O)/C(=C/c1ccccc1)Cc1ccccc1)/C(=C\c1ccccc1)Cc1ccccc1 108107634 DOSSCVBZRKLATM-OJFGRJJISA-N 458.557 6.709 50 10 JKGE Fc1cc([C@@H](Cl)c2cc(Br)c(Br)s2)c(F)cc1Br 128873877 OSDXRCHHOHHNDN-SNVBAGLBSA-N 481.381 6.642 50 10 JKGE COc1cc(C)c(Br)cc1[C@@H](Br)c1ccc(Br)c(Cl)c1 129197939 YXUSXVUMWJLVJM-HNNXBMFYSA-N 483.425 6.666 50 10 JKGE CCOc1cc(Cl)c([C@@H](Br)c2ccc(Br)cc2F)cc1Cl 164570066 CTFPGEAIYRKURA-HNNXBMFYSA-N 456.964 6.778 50 10 JKGE CCCCCCN1C(=O)C(C#N)=C(C)/C(=C/c2cn(-c3ccccc3)nc2-c2cc(C)ccc2C)C1=O 214240079 FLXCZEBJKOWUBU-IMRQLAEWSA-N 492.623 6.329 50 10 JKGE CCOc1ccc([C@@H](Br)c2ccc(F)c(Br)c2)cc1Br 233819802 FWOWGHUWNJMBHO-HNNXBMFYSA-N 466.970 6.234 50 10 JKGE CCCc1ccc(C(CC)=NNC(=O)c2cc(-c3ccccc3)nc3c(Cl)cccc23)cc1 254566745 LRKKZAGPOCEGDQ-UHFFFAOYSA-N 455.989 7.052 50 10 JKGE O=C(CSc1nc2ccccc2n1Cc1ccccc1)NN=C/C(Cl)=C/c1ccccc1 254606603 MZFNCUILFPQNBD-GGWIWSIYSA-N 460.990 5.559 50 10 JKGE CCn1c(SCC(=O)NN=C/C=C/c2ccccc2[N+](=O)[O-])nnc1-c1ccc(C(C)(C)C)cc1 254714673 AYSYCPRDRPZIIG-GIDYDYLNSA-N 492.605 5.078 50 10 JKGE CC(=NNC(=O)CSc1nnc(-c2ccc(C)cc2)n1C1CCCCC1)c1ccccc1O 254734600 RUKCFLFMJSLOTO-UHFFFAOYSA-N 463.607 5.097 50 10 JKGE Cc1nn(C)c(COc2c(Br)cc(Br)cc2CBr)c1Cl 380061719 FZWUJCMMGKJDDU-UHFFFAOYSA-N 487.417 5.381 50 10 JKGE Cc1sc(Br)cc1[C@@H](Br)c1cccc(OCc2ccccc2)c1 381970127 JTWHWBZZAOJTJV-IBGZPJMESA-N 452.211 6.882 50 10 JKGE Cc1cc2c(cc1F)nc([C@H](C)Cl)n2CCCN(Cc1ccccc1)Cc1ccccc1 390525659 IVQFUVICDWIADB-NRFANRHFSA-N 450.001 6.876 50 10 JKGE COc1c(Br)cc(Cl)cc1[C@H](Cl)c1ccc(OCc2ccccc2)cc1 394199375 RPKBJLNJLYKAQL-HXUWFJFHSA-N 452.175 7.018 50 10 JKGE Clc1cc(Br)cc([C@@H](Br)c2cc(Cl)c(Cl)c(Cl)c2Cl)c1 405097745 SYKZVYSCMZFOBU-SNVBAGLBSA-N 498.256 8.200 50 10 JKGE CC(C)(C)[Si](C)(C)OCc1ccccc1[C@@H]1CCc2ccccc2N1S(=O)(=O)c1ccccc1 616593389 CMKICIVSSXGDCT-MHZLTWQESA-N 493.745 7.091 50 10 JKGE C[C@H]1CCCN(C(=O)c2ccc(Br)cc2Br)[C@@H]1CCBr 697201393 RUSSCJFEMAVGAN-IINYFYTJSA-N 468.027 5.237 50 10 JKGE Fc1cc2c(cc1Cl)nc(CCl)n2CC1(N(Cc2ccccc2)Cc2ccccc2)COC1 705607687 AKXDNDMRYIYTHJ-UHFFFAOYSA-N 484.402 6.039 50 10 JKGE Cc1cc(F)c([C@@H](Cl)c2ccc(I)c(Br)c2)cc1F 721605992 UZSYWJRSCGOSPX-AWEZNQCLSA-N 457.483 5.969 50 10 JKGE COc1ccc([C@H](Br)c2sc(C)c(Br)c2C)cc1Br 724914414 KXHNTNFTRATQBI-ZDUSSCGKSA-N 469.036 6.383 50 10 JKGE CCOc1cc(/C=C(\C#N)C(=O)Nc2cccc(SC)c2)ccc1OCc1ccccc1OCC#N 1081086811 PARVIVKDQWJBOM-PXLXIMEGSA-N 499.592 5.834 50 10 JKGE O=C(NN=C1C(=O)N(C(c2ccccc2)c2ccccc2)c2ccccc21)c1cccc(Cl)c1 1084055700 VDDIYBBHFSRQBV-UHFFFAOYSA-N 465.940 5.610 50 10 JKGE CO[C@H](C(=O)NN=Cc1c(Br)c(C)n(-c2ccc(C)c(C)c2)c1C)c1ccccc1 1084154089 RUPSIKXETPGBAW-QHCPKHFHSA-N 468.395 5.311 50 10 JKGE Cc1cc(C=NNC(=O)CSCc2cccc(Br)c2)c(C)n1-c1ccc(Cl)cc1 1084155563 VWIKKNSSSWDJCJ-UHFFFAOYSA-N 490.854 5.894 50 10 JKGE CCOc1cc(C=NNC(=O)CC[C@H](O)c2ccccc2)cc(Cl)c1OCc1cccc(C)c1 1084317186 RFNPJNXWKYAYFI-DEOSSOPVSA-N 480.992 5.590 50 10 JKGE CSc1ccc(NC(=O)Oc2c(Br)cc([N+](=O)[O-])cc2Br)cc1 1088727151 OPRIWTYOPSAJNN-UHFFFAOYSA-N 462.119 5.453 50 10 JKGE COc1ccc(N2C(=O)[C@H](Cc3ccccc3C)S/C2=C(\C#N)C(=O)N[C@H](C)c2ccccc2)cc1 1772742950 SWOAEVLIVNZHFZ-JPNRISNCSA-N 497.620 5.307 50 10 JKGE Cc1c(C(=O)Nc2ccc(Cl)cc2Cl)oc2c1C(=NNC(=O)c1cccnc1)CCC2 1772745987 OSDSQXNENAQRBL-UHFFFAOYSA-N 457.317 5.013 50 10 JKGE COc1cc(C=NNC(=O)COc2ccc(Cl)c(C)c2)ccc1OCc1ccccc1C 1772753859 LKTJJSVDPYIXPS-UHFFFAOYSA-N 452.938 5.074 50 10 JKGE N#CC1=C(N)Oc2c(c(-c3ccccc3)nn2-c2cccc(Cl)c2)[C@@H]1c1ccc(Cl)c(Cl)c1 1865685851 NIECSJIGQYYEKF-OAQYLSRUSA-N 493.781 6.718 50 10 JKGE CCc1ccc([C@@H]2C(C#N)=C(N)Oc3c2c(C(F)(F)F)nn3Cc2c(F)cccc2Cl)cc1 1865709266 SLNFQZHAZMFISG-GOSISDBHSA-N 476.861 5.523 50 10 JKGE CCCc1nn(-c2ccccc2Cl)c2c1[C@@H](c1cccc(OCc3ccccc3)c1)C(C#N)=C(N)O2 1865712181 RNALHRRGYDONLQ-SANMLTNESA-N 496.998 6.275 50 10 JKGE N#CC1=C(N)Oc2c(c(C(F)(F)F)nn2-c2ccc(Cl)c(Cl)c2)[C@H]1c1ccc([N+](=O)[O-])cc1 1865713214 UHPJUEVBIDNCEI-HNNXBMFYSA-N 496.232 5.324 50 10 JKGE CC(C)[C@H](C(=O)N[C@@H](Cc1ccccc1)C(=O)Nc1ccc(SC#N)cc1)c1ccc(F)cc1 1866970109 WAFWYPHODRASSJ-DQEYMECFSA-N 475.589 5.505 50 10 JKGE Cc1ccc(-c2nc(Nc3ccc(SC#N)cc3)cc(N3CCC(n4cnnc4C)CC3)n2)cc1 1868321326 ZNDWSHXZTDLQNH-UHFFFAOYSA-N 482.617 5.510 50 10 JKGE Cc1nc(Nc2ccc(SC#N)cc2)cc(N(CCN2CCN(C)CC2)c2ccccc2Cl)n1 1868480375 MEQUOBAAHYMYRQ-UHFFFAOYSA-N 494.068 5.141 50 10 JKGE N#C/C(=C\c1c(OCc2ccccc2)ccc2ccccc12)c1cc2c(cc1[N+](=O)[O-])OCCO2 1872728446 BULRQWXGMXLUED-KGENOOAVSA-N 464.477 6.162 50 10 JKGE N#C/C(=C(/O)CN1C(=O)COc2ccc(Cl)cc21)c1nc(-c2cccc(Cl)c2)cs1 1872748330 SQXAJOFAQQHRDK-SDXDJHTJSA-N 458.326 5.335 50 10 JKGE COc1ccc(C/C(O)=C(\C#N)c2nc(-c3ccc(Oc4ccccc4)cc3)cs2)c(OC)c1 1872753959 WEGQUGOOWSCVIK-BZZOAKBMSA-N 470.550 6.655 50 10 JKGE CCOC(=O)Oc1ccc(/C(O)=C(\C#N)c2nc(-c3cc(OCC)ccc3OCC)cs2)cc1 1872754614 ANBQUVRPAHXOCV-ATJXCDBQSA-N 480.542 6.093 50 10 JKGE Cc1cc(C)c(-c2csc(/C(C#N)=C(\O)c3ccc4c(c3)C(=O)N(C(C)C)C4=O)n2)c(C)c1 1872757034 NOKBPGDFNDNDNO-ATJXCDBQSA-N 457.555 5.690 50 10 JKGE CCCCc1ccc(-c2csc(/C(C#N)=C/c3ccc(OCc4ccc(C)cc4)cc3)n2)cc1 1872781047 SCWZYVFKDIMETP-OVVQPSECSA-N 464.634 8.104 50 10 JKGE CCOc1cc(/C=C(\C#N)c2nc(-c3ccc(C)cc3C)cs2)ccc1OCC(=O)N(CC)CC 1872790449 JEXFWSCMQSJMFT-HYARGMPZSA-N 489.641 6.137 50 10 JKGE COc1cc(OC)c(OC)cc1/C=C(\C#N)c1nc(-c2cc(Cl)c(OC)c(Cl)c2)cs1 1872794441 BPGLZGPBRRGVRS-LHHJGKSTSA-N 477.369 6.215 50 10 JKGE C[C@H](CCOc1c(Br)cc(Br)cc1CBr)C(F)(F)F 1876111678 BZLSDARXTPMZIY-SSDOTTSWSA-N 468.933 6.074 50 10 JKGE CC(C)[C@@H](CCl)N(Cc1ccccc1)Cc1cc(I)ccc1Cl 1905031985 IQVUATLVCHVZBB-LJQANCHMSA-N 462.202 6.210 50 10 JKGE Cl[C@@H](c1cc(I)sn1)c1cc(Br)c(Br)s1 1909889682 TWNAOSJRPWUCNL-ZETCQYMHSA-N 499.418 5.662 50 10 JKGE O=C(c1cc(Br)ccc1Br)N(CCCBr)Cc1ccccc1 1914627732 JMQWBRDFLMXOTQ-UHFFFAOYSA-N 490.033 5.639 50 10 JKGE CCc1nn(C)c(CN(Cc2ccccc2)C2(CBr)CCC2)c1Br 1915739807 BHPVOPLLZVDBFF-UHFFFAOYSA-N 455.238 5.065 50 10 JKGE FC1(F)[C@@H]2CC[C@H]([C@@H](Br)c3sc(Br)cc3Br)C[C@H]21 1922893415 FRECNLQXQUJUJZ-MPXCPUAZSA-N 464.995 6.391 50 10 JKGE COc1cc([C@@H](Br)c2sc(Br)c(C)c2Br)ccc1F 1922899156 ALEIRKLXNNSKAF-LLVKDONJSA-N 472.999 6.214 50 10 JKGE Cc1c(Br)sc([C@H](Br)C2C[C@H](C)O[C@@H](C)C2)c1Br 1922921378 QBMICSNANKNCCN-OKTBNZSVSA-N 461.057 6.221 50 10 JKGE Cc1ccc(Cl)c([C@H](Br)c2sc(Br)cc2Br)c1 1925502729 RTHSMIKWJUXZBQ-NSHDSACASA-N 459.428 6.719 50 10 JKGE CCn1ncc(Br)c1[C@@H](Cl)c1c(Cl)sc(Br)c1Cl 1925545574 GTWXTXHXRBBRRE-LURJTMIESA-N 453.414 6.125 50 10 JKGE C[C@H]1COc2ccc([C@@H](Br)c3cc(Br)ccc3Br)cc21 1925753351 GNMCMPYWSDKKOP-XXFAHNHDSA-N 460.991 6.192 50 10 JKGE Clc1cc(Br)c([C@H](Br)c2sccc2Br)s1 1933586826 LIPDQDANDMJIBQ-SSDOTTSWSA-N 451.430 6.472 50 10 JKGE Cc1csc([C@H](Br)c2sc(C)c(Br)c2C)c1Br 1950881453 FUUZOHKLHMKNOP-SNVBAGLBSA-N 459.066 6.744 50 10 JKGE CO[C@@H]1C[C@@]2([C@H](Br)c3c(Br)sc(Br)c3Cl)C[C@@H]12 1951250494 JWTAUHFPIHSMTJ-AYFZAPKBSA-N 465.432 5.788 50 10 JKGE CCc1cc(Br)c([C@H](Cl)c2cc(Br)ccc2Br)s1 2029238989 LFLUMXAAPZBFOK-GFCCVEGCSA-N 473.455 6.926 50 10 JKGE Cc1cc(F)c([C@@H](Br)c2csc(Br)c2Br)cc1F 2032958979 QCBZQRGYAMTVHU-SNVBAGLBSA-N 460.963 6.344 50 10 JKGE Cc1c(Br)sc([C@H](Br)C2CC(C(C)(C)C)C2)c1Br 2043033183 AKRKEOCKRTWZMN-NWGYLPEXSA-N 459.085 7.090 50 10 JKGE O=C(NC1CC2(C1)CN(CCCCCCCCCBr)C2)OCc1ccccc1 2044705321 KJXKVAMNMCXXNV-UHFFFAOYSA-N 451.449 5.503 50 10 JKGE Cc1sc2nc(C(C#N)=Cc3ccc(Oc4ccc(F)cc4)c([N+](=O)[O-])c3)nc(O)c2c1C 2053574233 BEUAXTSCPCYFIH-UHFFFAOYSA-N 462.462 5.918 50 10 JKGE COc1cc(C)c([C@@H](Br)c2cscc2Br)cc1Br 2078007791 NURBYWKJTQGAFC-CYBMUJFWSA-N 455.009 6.074 50 10 JKGE Cc1cc([C@@H](Br)c2cc(Br)c(Cl)cc2C)c(Br)s1 2082387091 IHIXYVJVAUMJMF-LBPRGKRZSA-N 473.455 7.028 50 10 JKGE Brc1ccc(Br)c([C@H](Br)[C@]23CCCC[C@@H]2OCC3)c1 2092627902 SQDPJFTZTNWMGV-KKUMJFAQSA-N 453.012 5.997 50 10 JKGE O=C(c1csc(Br)c1Br)N1[C@H](CBr)C[C@H]2CCC[C@H]21 2108391982 ODSYQMBQVAQNOP-KHQFGBGNSA-N 472.040 5.051 50 10 JKGE Clc1ccc(I)c(C[C@H]2CCCCCCC[C@@H]2Br)c1 2112487552 HOTUXKYGPHNZJS-DOMZBBRYSA-N 455.605 6.611 50 10 JKGE Clc1cccc(CC[C@H](Br)c2cccc(Br)c2)c1Br 2113486068 AHEUELLJUCMPKG-ZDUSSCGKSA-N 467.426 6.934 50 10 JKGE Brc1cccc(C[C@H]2C[C@H](Br)CC3(CCC3)C2)c1Br 2127179211 WINOKZUVMAZJQZ-AAEUAGOBSA-N 451.040 6.488 50 10 JKGE CO[C@@H]1C[C@@H]([C@@H](Cl)c2c(Br)sc(Br)c2Br)C12CCC2 2133845963 NIXBJIKOADNRIR-NYNCVSEMSA-N 493.486 6.521 50 10 JKGE Cc1cc([C@H](Cl)c2c(C)c(Br)cc(C)c2Br)c(Br)s1 2136369016 ZQZGHISPEJMLEF-ZDUSSCGKSA-N 487.482 7.289 50 10 JKGE FC(F)(F)c1cscc1[C@@H](Br)c1ccc(Br)cc1Br 2138853225 VMISFCYTLBTRJX-NSHDSACASA-N 478.953 6.776 50 10 JKGE COc1cc(F)c(Cl)cc1[C@H](Br)c1scc(Br)c1Br 2142373594 CGKRTOSPOZLVEU-JTQLQIEISA-N 493.417 6.559 50 10 JKGE Fc1ccc(N2CCCN(Cc3ccccc3)CCOCC2)c(CBr)c1Cl 2144875866 GSSVOWZBJLCBEB-UHFFFAOYSA-N 455.799 5.103 50 10 JKGE Clc1csc([C@H](Br)c2ccc(Br)c3ccccc23)c1Cl 2152523911 RNONDLPZFJJIPR-CYBMUJFWSA-N 451.010 7.455 50 10 JKGE BrCc1ccc(N2CCC[C@@]3(CCCN(Cc4ccccc4)C3)C2)c(Br)c1 2163306600 LHDDMWOTYSQNOY-HSZRJFAPSA-N 492.299 6.227 50 10 JKGE O=C(c1cc(Br)sc1Br)N1C[C@H](Br)C2(CCCCC2)C1 2174364636 MXNHNHFWUFVJOW-JTQLQIEISA-N 486.067 5.443 50 10 JKGE CCOc1ccc(Br)cc1[C@H](Br)c1c(Br)nn(C)c1C 2188146224 GZXWMZIDOIXRFN-ZDUSSCGKSA-N 466.999 5.137 50 10 JKGE Cc1cc(F)cc([C@H](Br)c2c(C)c(Br)cc(C)c2Br)c1 2201072740 KKBVMJPFHQKBHK-INIZCTEOSA-N 464.998 6.760 50 10 JKGE COc1c(Cl)cc(Br)cc1[C@H](Br)c1c(C)nn(C)c1Br 2203003438 VPTVRNXKGWWSBM-NSHDSACASA-N 487.417 5.400 50 10 JKGE C[P@@]1(=O)C[C@@H](c2sc(Br)c(Br)c2Br)[C@@H](Cl)C1 2212199835 GWDXOSHUSRKLIT-ZMVGJBDTSA-N 471.376 5.733 50 10 JKGE Cc1ccc([C@@H](Br)c2cc(Cl)sc2Cl)cc1I 2212993643 ZUBWWGRAUARJCX-LLVKDONJSA-N 461.977 6.452 50 10 JKGE Cc1ccc([C@H](C)[C@H](Br)c2cc(Br)c(Br)s2)cc1 2223969515 QSTNAJQLKUWNLJ-ZANVPECISA-N 453.037 6.821 50 10 JKGE Cc1cc(F)c([C@H](Br)c2ccc(C)c(I)c2)cc1Cl 2224626907 KBJYPFNBDZRODS-OAHLLOKOSA-N 453.520 6.185 50 10 JKGE Cc1cc(F)ccc1[C@@H](Br)c1cc(Br)c(Br)cc1F 2225615592 JHSDDRYUTDXYEW-CQSZACIVSA-N 454.934 6.283 50 10 JKGE COc1cc(C)ccc1[C@H](Br)c1sc(Br)c(C)c1Br 2225620804 ZDXGNOCBGMFMAB-LBPRGKRZSA-N 469.036 6.383 50 10 JKGE CC[C@@](C)(CCCC(C)C)O[C@@]1(CI)CCCN(C(=O)OC(C)(C)C)C1 2226057643 QBAYAZWVWWSFGO-LEWJYISDSA-N 481.459 6.203 50 10 JKGE Cc1ccc(Br)c([C@H](Br)Cc2ccc(Br)cc2Cl)c1 2229150714 KYCIDQOSPMKARQ-CQSZACIVSA-N 467.426 6.852 50 10 JKGE CC1(C)CC12CC([C@@H](Br)c1c(Br)cc(Cl)c(Cl)c1Cl)C2 2232511197 PGXFATWTQCBPTN-PSYFVYSPSA-N 461.452 7.672 50 10 JKGE COc1c(C(C)C)cc(Br)cc1[C@H](Br)c1sncc1Br 2233162075 KMMGIYQBJIDDTJ-LBPRGKRZSA-N 484.051 6.284 50 10 JKGE Cc1sc(Br)c([C@@H](Br)c2c(F)cc(F)c(Br)c2F)c1C 2236110940 NEQOMPNOOLIGKZ-LLVKDONJSA-N 492.980 6.792 50 10 JKGE COc1ccc([C@@H](Br)c2cc(Cl)c(Br)cc2F)c(Br)c1 2240809526 DYQXMJCAEHCOPL-CQSZACIVSA-N 487.388 6.497 50 10 JKGE Brc1ccc([C@@H](CI)O[C@@H]2CCN(Cc3ccccc3)C2)cc1 2244771397 LUBKHAVASAWRSJ-RTBURBONSA-N 486.191 5.216 50 10 JKGE Fc1cccc(I)c1[C@@H](Br)c1ccc(Br)cc1 2247956136 BOJXNHGYSXFZPB-ZDUSSCGKSA-N 469.917 5.677 50 10 JKGE Clc1ccc(I)cc1Oc1nc(Cl)c(CBr)s1 2250689105 UVSQBSSZVDZNNI-UHFFFAOYSA-N 464.937 5.742 50 10 JKGE Clc1ccc([C@@H](Br)c2ccc(Cl)c(I)c2)cc1Cl 2256337635 VOKLXFDQMJYGKG-CYBMUJFWSA-N 476.366 6.736 50 10 JKGE COc1c(Br)cc(C)cc1[C@H](Br)c1scc(Br)c1Cl 2264610697 YLTUMDBHSUNXRY-JTQLQIEISA-N 489.454 6.728 50 10 JKGE Cc1cc(Br)c([C@H](Br)c2cc(Br)cc(C(C)C)c2)s1 2265967276 NEMBGLDEINWYSY-CQSZACIVSA-N 467.064 7.189 50 10 JKGE COc1c([C@@H](Br)c2ncsc2Br)cc(Br)c(C)c1C 2269169641 UEYXWXGSSJDQAL-SNVBAGLBSA-N 470.024 5.778 50 10 JKGE COC[C@]1(C)C[C@H]1COc1c(Br)cc(Br)cc1CBr 2269280120 MKVASZPYNOIXKZ-HZMBPMFUSA-N 457.000 5.158 50 10 JKGE COc1ccc([C@@H](Br)c2c(F)cccc2Br)cc1I 2269556135 LSWGKIXHVRZRKJ-CQSZACIVSA-N 499.943 5.686 50 10 JKGE COc1cc(OC)c([C@@H](Cl)c2sccc2I)cc1Br 2278030828 GRKASVLJIYGLRV-GFCCVEGCSA-N 473.557 5.461 50 10 JKGE Cc1cc(Br)c([C@H](Br)c2c(Cl)cccc2Br)c(C)c1F 2279141160 FVNBWRXKWNCLTM-AWEZNQCLSA-N 485.416 7.105 50 10 JKGE Cc1cc(Br)c([C@H](Br)C2(C)CC(C(F)(F)F)C2)cc1Br 2279189072 LTENBCVMAPEZMU-CXJYDNQRSA-N 478.972 6.935 50 10 JKGE COc1cc(F)c([C@H](Cl)c2c(F)cccc2I)cc1Br 2282896174 GKGAMIGKFVFDLH-AWEZNQCLSA-N 473.482 5.669 50 10 JKGE COc1ccc([C@@H](Br)c2cc3sc(C)cc3s2)cc1I 2284995816 DPLLWMWOMGXLGN-OAHLLOKOSA-N 479.202 6.369 50 10 JKGE COc1ccc([C@@H](Br)c2cc(Cl)cc(F)c2F)cc1I 2285004553 CFFFCTZQZHUOQR-CYBMUJFWSA-N 473.482 5.716 50 10 JKGE CC(C)(C1CCCCC1)[C@H](Br)Cc1cc(Br)cc(Br)c1 2295343484 WNFFWKQIHLXMQS-MRXNPFEDSA-N 467.083 7.124 50 10 JKGE N#CC(=Cc1ccc(-c2cc(Cl)ccc2Cl)o1)C(=O)Nc1cc(C(F)(F)F)ccc1Cl 2296818131 OIZZLHGPACYBOB-UHFFFAOYSA-N 485.676 7.471 50 10 JKGE CCN(CC)c1ccc(C=C(NC(=O)c2ccccc2)C(=O)NN=C(C)C=Cc2ccccc2)cc1 2297324524 WRMYWRFCBHNNIB-UHFFFAOYSA-N 480.612 5.509 50 10 JKGE CCN[C@@H](c1ccc(OCc2ccccc2)cc1Br)[C@H]1C[C@@H](Br)C1 2299522739 NCBCDVJDONGJKH-GQIGUUNPSA-N 453.218 5.852 50 10 JKGE COC1([C@H](Br)c2c(Cl)cc(Br)c(F)c2Br)CC1 2300175138 ZPJZYYMMFOBAFI-SNVBAGLBSA-N 451.355 5.619 50 10 JKGE Cc1c(Br)sc([C@@H](Br)[C@]23C[C@H](CO2)C3(C)C)c1Br 2313352565 XXYLJAKLRWQIER-OHILOLKFSA-N 459.041 5.833 50 10 JKGE COc1cc(C=C(C#N)C(=O)Nc2cc([N+](=O)[O-])ccc2Cl)ccc1OCc1ccc(Cl)cc1 2313724733 YETYHVNJMCRNOT-UHFFFAOYSA-N 498.322 6.035 50 10 JKGE Brc1ccc(OCc2ccccc2)c([C@H](Br)[C@H]2CC23CCOCC3)c1 2314452160 KIVRODHTPBPSIG-QUCCMNQESA-N 466.213 6.281 50 10 JKGE Brc1ccc(OCc2ccccc2)c([C@@H](Br)[C@@H]2C[C@@H]3O[C@H]2[C@H]2C[C@@H]32)c1 2314454605 HMUGMSWDPLPRHC-XOKMMBSASA-N 464.197 5.888 50 10 JKGE Fc1cc(Cl)cc([C@H](Br)c2cc(Br)ccc2OCc2ccccc2)c1 2314500282 LXWYLYUXWSFMGI-FQEVSTJZSA-N 484.590 7.305 50 10 JKGE Cc1ccc(C)c(NC(=O)C(C#N)=Cc2c(Oc3cccc(C)c3C)nc3c(C)cccn3c2=O)c1 2314531586 CPYJDKZBXOXCMR-UHFFFAOYSA-N 478.552 5.575 50 10 JKGE CC1=C(C#N)C(=O)N(Cc2ccccc2Cl)C(=O)C1=Cc1ccc(-c2ccc(Cl)c(Cl)c2)o1 2314620857 VZXJLQLPAHVCIO-UHFFFAOYSA-N 497.765 6.699 50 10 JKGE CCCCOc1ccc(C=C(C#N)C(=O)Nc2scc(-c3ccccc3)c2C(=O)OCC)cc1 2314734741 GSUYFCWLVWWDPU-UHFFFAOYSA-N 474.582 6.316 50 10 JKGE CCCCOc1ccc(C=CC(=O)Oc2ccc(C=C(C#N)C(=O)NCc3ccco3)cc2)cc1 2314754021 IQFIWOFVBROKLB-UHFFFAOYSA-N 470.525 5.301 50 10 JKGE Fc1c(Br)cc(Cl)c([C@@H](Br)[C@H]2C[C@H]2C(F)F)c1Br 2315450604 FWXJDJZDMRTVMO-FXLGRURVSA-N 471.336 6.341 50 10 JKGE Fc1c(Br)cc(Cl)c([C@@H](Br)[C@H]2CC23CCC3)c1Br 2315459463 BCBUHNXSNPXRHX-LDWIPMOCSA-N 461.394 6.630 50 10 JKGE CC(C)CSc1ccc(C(=O)NNC(=O)C=Cc2ccc(OCc3ccccc3)cc2)cc1 2321165853 RDALSCYCADZYFZ-UHFFFAOYSA-N 460.599 5.488 50 10 JKGE CCOc1cc(C=C(C#N)c2nc(O)c3ccccc3n2)ccc1OCc1ccccc1Cl 2331029173 HHKHDYDIWADUAY-UHFFFAOYSA-N 457.917 6.031 50 10 JKGE N#CC(=Cc1ccccc1OCc1ccc(Br)cc1)c1cc2c(cc1[N+](=O)[O-])OCCO2 2331051513 FARDWMQQTOXFPZ-UHFFFAOYSA-N 493.313 5.772 50 10 JKGE COc1ccc(-c2csc(C(C#N)=C(O)COc3cc(Cl)ccc3Cl)n2)cc1OC 2331242545 NBCYVTCZUJJFDC-UHFFFAOYSA-N 463.342 6.006 50 10 JKGE COc1cc(C=CC(O)=C(C#N)c2nc(-c3ccc(Br)cc3)cs2)ccc1OC(C)=O 2331260663 XQEUDHLBABDANW-UHFFFAOYSA-N 497.370 6.013 50 10 JKGE COc1ccc(OC)c(-c2csc(C(C#N)=C(O)[C@@H](C)Oc3ccc(Cl)cc3Cl)n2)c1 2331325255 CLKOSYWLWOSBBY-GFCCVEGCSA-N 477.369 6.394 50 10 JKGE COC(=O)c1ccc(C=CC(O)=C(C#N)c2nc(-c3cc(Cl)c(OC)c(Cl)c3)cs2)cc1 2331397703 WHYGPKYTDYDBBP-UHFFFAOYSA-N 487.364 6.418 50 10 JKGE CCCCCCOc1ccc(C=C(C#N)c2nc(-c3ccc(OC)c(C)c3)cs2)cc1OC 2331429522 CXBPSSHQUWRUSP-UHFFFAOYSA-N 462.615 7.159 50 10 JKGE Clc1ccc(CN2CCC(CCCBr)CC2)cc1I 2337222717 CKLGOHYCLPCHOA-UHFFFAOYSA-N 456.593 5.332 50 10 JKGE Cc1c(CO[C@@]2(CBr)CCCN(C(=O)OC(C)(C)C)C2)ccc(Cl)c1Cl 2339412594 PXZMPZQBJCIKCT-LJQANCHMSA-N 467.231 5.983 50 10 JKGE Cc1cc(Br)c(F)c(Br)c1[C@H](Br)c1ccccc1F 2339674439 LFZAQKJZTCURIE-GFCCVEGCSA-N 454.934 6.283 50 10 JKGE Cc1cc(Br)c(F)c(Br)c1[C@@H](Br)[C@H]1[C@H]2[C@H]3C[C@@H]1C[C@H]32 2339686648 ZTPKSEPJLWJLNT-JDCCVFNTSA-N 452.987 5.997 50 10 JKGE ClCc1ccc(CNCc2ccc(I)c(Br)c2)cc1 2349844628 HMOWJOCCROZQNA-UHFFFAOYSA-N 450.545 5.082 50 10 JKGE FC(F)(F)[C@@H]1OC2([C@H](Cl)c3ccc(OCc4ccccc4)cc3Br)CC1C2 2361171455 AQHGIYPUWPYDDR-HSOIFAIESA-N 461.705 6.418 50 10 JKGE CC(F)(F)c1ccc([C@H](Cl)c2ccc(OCc3ccccc3)cc2Br)cc1 2361214891 OYWXIXXNGFWPCS-NRFANRHFSA-N 451.738 7.468 50 10 JKGE Clc1ccc(CC[C@@H](Br)CN2CCCCCC2)cc1I 2362371374 PUHXLXVDHDOLLF-CQSZACIVSA-N 470.620 5.517 50 10 JKGE Clc1ccc(CN2C[C@H](Br)C3(CCCCC3)C2)cc1I 2362382256 DCGOLRBARRBSOQ-HNNXBMFYSA-N 468.604 5.474 50 10 JKGE COc1c(Br)cc(C)c([C@@H](Br)C[C@@H](C)C(C)(C)C)c1Br 2365189101 RKDICVLQQSKXQY-MNOVXSKESA-N 471.071 7.037 50 10 JKGE CCc1ccc(CC)c([C@H](Br)c2ccc(Cl)cc2I)c1 2365592000 JVMXYMJPYYHDDB-QGZVFWFLSA-N 463.584 6.554 50 10 JKGE Cc1cc([C@@H](Br)c2cc3c(cc2Br)OCCC3)c(Br)s1 2369618054 GQMLWCAIRIJEIR-AWEZNQCLSA-N 481.047 6.391 50 10 JKGE Clc1ccc(I)cc1C[C@H](CBr)CCc1ccccc1 2380519841 ROYGCFCDMOMVMF-CQSZACIVSA-N 463.584 6.131 50 10 JKGE CC(C)(C)Oc1ccc([C@@H](Br)c2csnc2Br)cc1Br 2381305145 ZZYQXIDHLKCDLA-GFCCVEGCSA-N 484.051 6.330 50 10 JKGE CCN(C[C@](C)(CBr)OCc1cccc(C(F)(F)F)c1)C(=O)OC(C)(C)C 2381510927 ULIGPZTUEGUTEU-SFHVURJKSA-N 454.327 5.633 50 10 JKGE COc1cc(/C=C(/C#N)c2ccccc2OC)ccc1OC(=O)/C=C/c1ccc(C(C)C)cc1 31902002 KMWHVNDMCRKJLN-ZJRWQGKSSA-N 453.538 6.510 50 10 JKGE COc1ccc(/C=N/NC(=O)CSc2nc3ccccc3[nH]2)cc1OCc1ccccc1Cl 32522895 UMZUFFMMAGRBML-LGJNPRDNSA-N 480.977 5.046 50 10 JKGE C[C@@H](c1ccccc1)N(Cc1cc(NC(=O)CCCCl)ccc1N(C)C)C(=O)C(C)(C)C 34921569 IYFHPXRDPLQXLZ-IBGZPJMESA-N 458.046 5.846 50 10 JKGE N#C/C(=C/c1ccc(-c2cccc(C(F)(F)F)c2)o1)c1nc(-c2cccc3ccccc23)cs1 35568813 RTSARTRCMBHIBD-RGEXLXHISA-N 472.491 8.306 50 10 JKGE Cc1cccc(OCC(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@H]3c2cccc(Cl)c2)c1C 38651232 XEZYNRNBVBYQQB-VWLOTQADSA-N 460.917 5.159 50 10 JKGE CCCOc1ccccc1[C@H]1C(C#N)=C(N)Oc2cc(OC(=O)c3ccc(Cl)cc3Cl)ccc21 38681454 ZPIUDZISIKPIGH-XMMPIXPASA-N 495.362 6.220 50 10 JKGE CCCCOc1cccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)Cc4ccc(OC)cc4)ccc32)c1 38685251 CGPGPFNJPQTXKH-MUUNZHRXSA-N 484.552 5.240 50 10 JKGE CCCCCOc1ccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4ccccc4F)ccc32)cc1 38685493 LLTBOKKULUZBBA-SANMLTNESA-N 472.516 5.832 50 10 JKGE Cc1ccc(NC(=O)c2oc3c(c2C)/C(=N/NC(=O)c2ccc(Cl)cc2Cl)CCC3)cc1 40813730 AAFWYSKXFOMPBB-TURZUDJPSA-N 470.356 5.926 50 10 JKGE CC(C)(C)c1ccc([C@@H]2C[C@H]2C(=O)N/N=C/c2ccc(-c3ccc(Cl)c(Cl)c3)o2)cc1 96572343 JMTPSXFSBCCNEQ-MZNMVMJFSA-N 455.385 6.805 50 10 JKGE Cc1cc(C)c(N/C=C(/C#N)c2nc(-c3cc4cc(Br)ccc4oc3=O)cs2)c(C)c1 100114155 FHRMMOXPGGMJKF-BOPFTXTBSA-N 492.398 6.581 50 10 JKGE CCCOC(=O)c1ccc(NC(=O)[C@@H](Br)[C@@H](Br)c2ccccc2)cc1 101643416 MXPBYFIBBGEFSV-IRXDYDNUSA-N 469.173 5.092 50 10 JKGE O=C(Nc1ccccc1C(=O)N/N=C1\c2ccccc2-c2nc3ccccc3nc21)c1cccs1 103549454 IEPHSXTYISTZLI-QFMPWRQOSA-N 475.533 5.106 50 10 JKGE Clc1ccc([C@H](Br)c2cc(Br)ccc2Br)cc1Cl 109844951 BSYHBSCIQQNBQT-ZDUSSCGKSA-N 473.817 7.003 50 10 JKGE CCOc1ccc([C@H](Br)c2cc(Br)sc2Br)cc1 109869995 XSJNZAQHHYSPPG-LBPRGKRZSA-N 455.009 6.156 50 10 JKGE CC[C@H](Cl)C(=O)O[C@@H]1CC[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 118920959 AYVNXDFYJLGZKZ-RAISQODSSA-N 491.200 8.957 50 10 JKGE CCOc1ccc([C@@H](Br)c2cccc(Br)c2C)c(Br)c1 123745625 NEHNYSISDDPUIU-INIZCTEOSA-N 463.007 6.403 50 10 JKGE COc1ccc(Cc2nc3cc(C(=O)N/N=C\c4ccc(Cl)cc4Cl)ccc3[nH]2)cc1 169925612 LXEHNFCXRLKDFT-ZMFRSBBQSA-N 453.329 5.233 50 10 JKGE CC(C)(C)[Si](C)(C)Oc1cc(CO)cc(O[Si](C)(C)C(C)(C)C)c1O[Si](C)(C)C(C)(C)C 196139816 SXMIVILIKOKXFE-UHFFFAOYSA-N 498.929 8.331 50 10 JKGE COc1ccc([C@@H](Br)c2cc(Cl)cc(Br)c2)c(Br)c1 234972790 WWICSORFKWUVAE-AWEZNQCLSA-N 469.398 6.358 50 10 JKGE Clc1sc([C@H](Cl)c2ccc(Br)cc2Br)cc1Br 236030280 BDDCCRGFRWVKQF-SNVBAGLBSA-N 479.846 7.017 50 10 JKGE Cc1ccc([C@H](C(=O)N[C@@H]2CCC[C@H](C)[C@H]2C)N(CCC2=CCCCC2)C(=O)CCl)cc1 252587083 VMZJSCDHCQVVSX-OFPDSVIMSA-N 459.074 5.935 50 10 JKGE CCCCCCCCOc1ccc(C=NNC(=O)[C@@H](O)c2ccc(Br)cc2)cc1 252611194 IHJHBBRDKJDQCT-QFIPXVFZSA-N 461.400 5.372 50 10 JKGE Cc1cccc(C=NNC(=O)c2csc(-n3nc(C(F)(F)F)cc3-c3cccs3)n2)c1 252636567 XKHWJMUIPJPYTK-UHFFFAOYSA-N 461.494 5.148 50 10 JKGE COc1ccccc1C=NNC(=O)CSc1nnc(-c2ccc(C(C)(C)C)cc2)n1-c1ccccc1 254315927 FBJCULJJKTYBNC-UHFFFAOYSA-N 499.640 5.483 50 10 JKGE CC(C)(C)c1ccc(-c2nnc(SCC(=O)NN=Cc3ccccc3O)n2-c2ccccc2)cc1 254369270 VHMFGKRLNKAOQC-UHFFFAOYSA-N 485.613 5.180 50 10 JKGE CCc1ccc2c(Cl)c(C(=O)NN=C(C)c3cccc(NC(=O)C(F)(F)F)c3)sc2c1 254381446 QUPNLMYFDHCGNJ-UHFFFAOYSA-N 467.900 5.772 50 10 JKGE CC(C)c1ccc(-c2cc(C(=O)NN=C[C@H](C)Cc3ccc4c(c3)OCO4)c3ccccc3n2)cc1 254797879 PDSJUVKGQBNLPL-HXUWFJFHSA-N 479.580 6.348 50 10 JKGE CCCCCCCCCCCCCC(=O)NN=Cc1ccc(OC(=O)c2ccccc2)cc1 254836829 OYVXAZCHPGEDLW-UHFFFAOYSA-N 450.623 7.057 50 10 JKGE Cc1oc(Br)cc1[C@H](Br)c1ccc(Br)c2ccccc12 396580549 HSDSUVOEJGFXFW-MRXNPFEDSA-N 458.975 6.751 50 10 JKGE CC(C)(C)[Si](C)(C)OCCc1cccc([C@@H]2CN(CCO[Si](C)(C)C(C)(C)C)CCO2)c1 616649356 ZJPDNWJNBXXWID-DEOSSOPVSA-N 479.854 6.646 50 10 JKGE Cc1cc([C@@H](Br)c2cc(Br)cc3c2OCCC3)sc1Br 688377516 CLKWRAYGFBIXKL-ZDUSSCGKSA-N 481.047 6.391 50 10 JKGE COCC(C)(C)CC(CBr)(CBr)c1ccc(Br)cc1 712658675 PLMHSWCYVIDVRX-UHFFFAOYSA-N 457.044 5.539 50 10 JKGE C[C@@H]1Cc2cc(Br)cc([C@@H](Br)c3ccc(Br)cc3)c2O1 720055920 YPTWMTKFGNZAOX-PSLIRLAXSA-N 460.991 6.019 50 10 JKGE Cc1cc([C@H](Br)c2cccc(F)c2I)c(Cl)cc1F 721689979 BOVCEQMHKUKBGT-CYBMUJFWSA-N 457.483 6.016 50 10 JKGE COc1ccccc1NC(=O)[C@@H](c1cccs1)N(C(=O)CCl)c1cccc(C(F)(F)F)c1 725238417 SLFGTAJYWJVVKR-HXUWFJFHSA-N 482.911 5.727 50 10 JKGE N#C/C(C(=O)NN=Cc1ccc(-c2ccccc2)cc1)=C1\C[C@@H](c2ccccc2)c2ccccc21 725274039 GPTFVRJDPXLHPB-XVKTVVCXSA-N 453.545 6.317 50 10 JKGE COc1cc(/C=C(/C#N)C(=O)Nc2ccc(Cl)c(Cl)c2)ccc1OCc1ccccc1F 1084247277 UAWBOKWSXFKCJJ-YVLHZVERSA-N 471.315 6.266 50 10 JKGE CCOc1ccc(C(=O)NN=Cc2ccccc2OCc2ccc(Br)cc2)cc1 1084269618 SMFJJSXKDGYWPK-UHFFFAOYSA-N 453.336 5.191 50 10 JKGE N#C/C(=C/c1cc(Cl)ccc1OCc1cccc(Cl)c1)C(=O)Nc1ccccc1Cl 1084344673 HOSMPXZYXKRRRV-BOPFTXTBSA-N 457.744 6.771 50 10 JKGE Cc1ccc(-n2c(C)cc(C=NNC(=O)CSC3c4ccccc4-c4ccccc43)c2C)cc1 1084591887 KZGPYTMUBVIAQM-UHFFFAOYSA-N 465.622 6.356 50 10 JKGE N#CC1=C(N)Oc2c(c(C(F)(F)F)nn2-c2cccc(Cl)c2)[C@@H]1c1ccc(F)cc1F 1865702720 ZZKRBDMIYBICKM-OAHLLOKOSA-N 452.770 5.041 50 10 JKGE CCn1nc(-c2ccccc2)c2c1OC(N)=C(C#N)[C@@H]2c1ccccc1OCc1ccccc1Cl 1865702962 JLYRWNCYUUWRFM-DEOSSOPVSA-N 482.971 6.021 50 10 JKGE COc1ccc(/C=C(\C#N)c2nc3cc(C)ccc3n2C)cc1OCc1ccc(Cl)c(Cl)c1 1872728334 XOVLAAMTABGBEY-YBFXNURJSA-N 478.379 6.840 50 10 JKGE COc1cc(C)c(-c2csc(/C(C#N)=C(\O)[C@H]3CC(=O)N(C(C)(C)C)C3)n2)cc1C(C)C 1872754011 YMBJFCHZBZCPSC-JJXNMMKVSA-N 453.608 5.690 50 10 JKGE COc1c(Cl)cc(-c2csc(/C(C#N)=C(O)/C=C/c3ccc([N+](=O)[O-])cc3)n2)cc1Cl 1872756005 QCCZGSRDNOFSRS-KYBBCCOLSA-N 474.325 6.540 50 10 JKGE COc1cc(C)c(-c2csc(/C(C#N)=C(\O)[C@H](C)Oc3ccc(Cl)cc3Cl)n2)cc1C 1872758119 MHRZXUMVGNAVMX-AEWZPABSSA-N 475.397 7.003 50 10 JKGE N#C/C(=C(/O)c1cccc(Br)c1)c1nc(-c2cc(Cl)ccc2Cl)cs1 1872758216 QBDDRXJBJMXHTP-VKAVYKQESA-N 452.160 6.829 50 10 JKGE N#C/C(=C(/O)CCCOc1ccc(Cl)cc1)c1nc(-c2cc(Cl)ccc2Cl)cs1 1872758723 NLIGMHLQQFFDSR-JZJYNLBNSA-N 465.789 7.422 50 10 JKGE COc1cc(/C=C(\C#N)c2nc(-c3cccc(Cl)c3)cs2)ccc1OCCN1CCOCC1 1872790088 KENLHQAZTFENDJ-DEDYPNTBSA-N 482.005 5.247 50 10 JKGE COCCOc1ccc([C@@H](Br)[C@H]2C[C@@H](Br)C2)cc1Br 1887751167 AVFDCOCLUFMJCK-UHIISALHSA-N 457.000 5.084 50 10 JKGE Cc1sccc1[C@H](Br)c1ccc(OCc2ccccc2)cc1Br 1899851039 CDWQDYVFXZKWQZ-IBGZPJMESA-N 452.211 6.882 50 10 JKGE CC[C@@H](Cl)CN(Cc1ccccc1)S(=O)(=O)c1cc(Cl)c(Br)s1 1915101256 QVGAIZJEOBMNQX-GFCCVEGCSA-N 457.242 5.372 50 10 JKGE Cc1cc([C@@H](Br)c2c(C)cc(C)c(Br)c2C)oc1Br 1917594919 MFBCSOHBSWXONC-CQSZACIVSA-N 450.996 6.523 50 10 JKGE Cc1ccc(F)cc1[C@H](Br)c1sc(Br)c(C)c1Br 1922945720 JNEQVBPNYVLMMO-NSHDSACASA-N 457.000 6.513 50 10 JKGE Cc1c(Br)sc([C@H](Br)c2c(F)cccc2F)c1Br 1922954843 SPUUVXDMNQAUAD-SNVBAGLBSA-N 460.963 6.344 50 10 JKGE COc1ccc([C@@H](Cl)c2c(Br)sc(Br)c2Br)c(F)c1 1924596535 PWEFZAJFFBPVRV-SNVBAGLBSA-N 493.417 6.512 50 10 JKGE Brc1sc(Br)c([C@H](Br)[C@]23COC[C@H]2C3)c1Br 1924609468 YGNHFCYJGXMVOC-TZQSSRQDSA-N 495.856 5.508 50 10 JKGE C[C@@H]1C[C@@H]2C[C@@H]2C[C@@H]1[C@H](Cl)c1c(Br)sc(Br)c1Br 1924613059 GAZQCBMHCHCUKW-GPPXWSAVSA-N 477.487 6.998 50 10 JKGE COCC1([C@H](Br)c2c(Cl)sc(Br)c2Cl)CCCCC1 1925554270 LIBIBGUAEAHFMG-SNVBAGLBSA-N 451.051 6.850 50 10 JKGE C[C@H]1COc2ccc([C@@H](Br)c3csc(Br)c3Br)cc21 1925682982 AWTXFWAJPBEAMW-JVXZTZIISA-N 467.020 6.253 50 10 JKGE FC(F)C1CC(C[C@@H](Br)c2sc(Br)cc2Br)C1 1926950199 NLQPTGFERHEDFO-KPGICGJXSA-N 452.984 6.391 50 10 JKGE ClC[C@H](C1CC1)N(Cc1ccccc1)Cc1cc(Br)ccc1Br 1982458460 XACVRZAOTFGNSB-LJQANCHMSA-N 457.637 6.231 50 10 JKGE CC(C)(F)[C@](C)(F)[C@@H](Cl)c1c(Br)sc(Br)c1Br 2003230350 GFPKDDHHTMQGTK-QUBYGPBYSA-N 475.418 6.792 50 10 JKGE Cl[C@@H](c1ccc(Br)cc1Br)c1ccccc1I 2024280912 CMHBFHGMGUQZKT-ZDUSSCGKSA-N 486.372 6.144 50 10 JKGE Clc1ccc(Cl)c([C@@H](Br)c2cccc(Br)c2Br)c1 2031480140 ROYOYCGWOISWKG-LBPRGKRZSA-N 473.817 7.003 50 10 JKGE Cc1cc(F)c([C@H](Br)c2csc(Br)c2Br)cc1F 2032958978 QCBZQRGYAMTVHU-JTQLQIEISA-N 460.963 6.344 50 10 JKGE Cc1cc(Br)c(F)c([C@H](Br)c2sc(Cl)cc2Br)c1 2036945378 YKVRWAAAGCHWNJ-JTQLQIEISA-N 477.418 6.858 50 10 JKGE N#CC(=Cc1ccc(OCc2ccc(F)cc2)cc1)C(=O)Nc1ccccc1I 2040466436 BIBUWQZYWGNDAI-UHFFFAOYSA-N 498.295 5.555 50 10 JKGE Cc1cc(Br)c(CBr)c(N2C[C@H]3C[C@H]2CN(Cc2ccccc2)C3)c1 2053203774 UFKQLXAZSWVXPY-ROUUACIJSA-N 464.245 5.363 50 10 JKGE O=S(=O)(c1ccc(Cl)c(CBr)c1Cl)N(Cc1ccccc1)C1CCC1 2059291757 OPUGVUAWGXPXCP-UHFFFAOYSA-N 463.224 5.632 50 10 JKGE COc1cc(C)c(Cn2nc(CBr)c(Br)c2C(F)(F)F)cc1C 2079232802 FZGRLYAOEVFWDD-UHFFFAOYSA-N 456.100 5.233 50 10 JKGE Cc1cc(Cl)c(Br)cc1[C@@H](Cl)c1ccc(I)cc1 2082381152 CHISBGNGGHLOFT-AWEZNQCLSA-N 455.948 6.344 50 10 JKGE Cc1sc(Br)c([C@H](Br)c2ccc(F)cc2Br)c1C 2082884405 LAVYTBIXIORSFC-GFCCVEGCSA-N 457.000 6.513 50 10 JKGE CC(C)(C)OC(=O)N1CCC[C@@]2(CCC[C@H](CI)O2)C12CCCCC2 2083791637 QXZKAPFNEBEHEX-UZLBHIALSA-N 463.400 5.463 50 10 JKGE Cc1cccc(C[C@H](Br)c2ccc(Br)cc2I)c1 2086144998 HPUYGIZAIVEXGT-AWEZNQCLSA-N 479.981 6.041 50 10 JKGE COc1cc(F)c(Cl)cc1[C@@H](Br)c1cc(I)sn1 2086229872 CJZYIUKACALFNF-LLVKDONJSA-N 462.509 5.033 50 10 JKGE CN(c1cc(Br)ccc1CBr)C1C[C@@H]2CC[C@H](C1)N2Cc1ccccc1 2094894726 OGVLCKCIVJGAHJ-WCRBZPEASA-N 478.272 5.976 50 10 JKGE Cc1cc(CCl)cc(S(=O)(=O)N(Cc2ccccc2)C2CCCC2)c1Br 2095888208 CICZIUNVWGNCBG-UHFFFAOYSA-N 456.833 5.630 50 10 JKGE CN(c1c(CCl)ccc(Br)c1Cl)[C@H]1CN(Cc2ccccc2)C(C)(C)C1 2098605427 LFYRTHDSAUNRJS-QGZVFWFLSA-N 456.255 6.331 50 10 JKGE BrCCN(Cc1cccs1)Cc1ccc(Br)cc1Br 2114665565 OWTGPRQTBBBELP-UHFFFAOYSA-N 468.052 5.670 50 10 JKGE CN(C(=O)c1cc(Br)sc1Br)[C@H]1CCCCC[C@H]1Br 2115913630 HDWBHASEDODNGH-ZJUUUORDSA-N 474.056 5.441 50 10 JKGE BrC[C@]1(Cc2cccc(Br)c2Br)CCCC12CCC2 2117002251 WWTFHNPMNGFBSV-MRXNPFEDSA-N 451.040 6.490 50 10 JKGE COC[C@@H](C)CCC(CBr)(CBr)c1cccc(Br)c1 2130999364 SRIWDTGOPQKSLR-LBPRGKRZSA-N 457.044 5.539 50 10 JKGE Brc1ccc([C@H](Br)[C@H]2C[C@H]2C2CCOCC2)c(Br)c1 2138849752 FPCZXDFBFPLOKY-YDHLFZDLSA-N 453.012 5.710 50 10 JKGE FC1(F)CC2(C1)C[C@]2(CBr)Cc1ccc(I)c(Cl)c1 2142956241 IKNZMGKHOPDFBY-LBPRGKRZSA-N 461.515 5.688 50 10 JKGE O=[N+]([O-])c1sc(CBr)cc1N1CCC[C@@H]1[C@@H]1CCN(Cc2ccccc2)C1 2145257549 WJYGXDUUAVPSBQ-SJLPKXTDSA-N 450.402 5.042 50 10 JKGE COc1ccc(Br)cc1[C@@H](Br)c1cc(C)cc(Br)c1F 2145601719 UNGSCIYUXQIEFN-CQSZACIVSA-N 466.970 6.152 50 10 JKGE CCn1ncc(Br)c1C[C@H](CBr)Cc1ccccc1Br 2150690282 BHHVLKHARSPCAP-LLVKDONJSA-N 465.027 5.224 50 10 JKGE ClCc1nc2cc(I)ccc2n1[C@@H]1C[C@@H]2CC[C@H](C1)N2Cc1ccccc1 2151250006 PGJVSZJFZCLZGG-BWTSREIZSA-N 491.804 5.748 50 10 JKGE ClCc1nc2cc(I)ccc2n1[C@H]1CCN(Cc2ccccc2)C2(CC2)C1 2155054924 VXDNCROGIWDLQG-SFHVURJKSA-N 491.804 5.749 50 10 JKGE C[C@@H](Cl)c1nc2cc(Br)c(Cl)cc2n1[C@H]1CCCN(Cc2ccccc2)C1 2160079303 BFMWXNGFBXRQGS-ZBFHGGJFSA-N 467.238 6.589 50 10 JKGE CC(C)(C)OC(=O)NCC[C@@H](N(CC1(CBr)CCCC1)C1CC1)C(F)(F)F 2163061759 IFPCNPCYAHZZNV-OAHLLOKOSA-N 457.375 5.252 50 10 JKGE CN(C(=O)c1c(Br)cccc1Br)C1(CBr)CCCCC1 2170165533 MOCRTHNDAQDLQO-UHFFFAOYSA-N 468.027 5.381 50 10 JKGE CN(C[C@@H](Cl)COCc1ccccc1)C(=O)c1cc(Br)cc(C(F)(F)F)c1 2172407378 FSRSOMPEWJJPCC-QGZVFWFLSA-N 464.709 5.364 50 10 JKGE FC(F)(F)c1ccc(Oc2ccc(I)cc2)cc1CBr 2181262717 XNQAMIXMHXBNBD-UHFFFAOYSA-N 457.027 5.997 50 10 JKGE CC(C)(C)C1CC(O[C@](C)(CI)c2ccccc2Br)C1 2182850284 WYXKOBIQZNYLEN-QWQCLYJRSA-N 451.186 5.941 50 10 JKGE Cc1cc(Br)c([C@@H](Br)[C@@]2(C)CCCC(F)(F)C2)cc1Br 2188636345 YCHFXPVEDQCCNT-KGLIPLIRSA-N 475.009 7.172 50 10 JKGE FC(F)(F)[C@H]1OC2([C@@H](Br)c3c(Cl)sc(Br)c3Cl)CC1C2 2193097029 WMDIHPAEKZFBQD-FHQKJZPWSA-N 474.951 6.363 50 10 JKGE Cc1cc(Br)c(C)c([C@H](Br)[C@@H]2C[C@@H]3C[C@@H]3C[C@@H]2C)c1Br 2201065119 NISMIKWGTIOWHM-DYUNXWRASA-N 465.067 6.947 50 10 JKGE Cc1cc(Br)c(C)c([C@@H](Br)[C@@H]2COCCC2(F)F)c1Br 2201080426 YDCOIZOMPOWEAU-ZANVPECISA-N 476.981 5.936 50 10 JKGE COc1c(Cl)cc(Br)cc1[C@H](Br)c1cc(Br)ccc1C 2202999183 AFLDUIDNQPUJQR-CQSZACIVSA-N 483.425 6.666 50 10 JKGE Cc1c(Br)ccc([C@@H](Br)[C@@H]2CC3(CCCC3)CO2)c1Br 2203703520 IYLQFAWPJHFUCL-DZGCQCFKSA-N 467.039 6.305 50 10 JKGE CC(C)[C@@H](CBr)N(Cc1ccccc1)C[C@H]1CC1(Br)Br 2209114820 ZTJOHCJNSCJKLZ-HUUCEWRRSA-N 468.071 5.414 50 10 JKGE CC1(C)CC[C@H](c2sc(Br)c(Br)c2Br)C[C@@H]1Cl 2216398752 YEPYTLXYLIOWDT-BQBZGAKWSA-N 465.476 6.937 50 10 JKGE Cc1ccc(Br)c([C@H](Br)c2sc(Br)c(C)c2C)c1 2218789875 JWDHKDJHJBZMOA-LBPRGKRZSA-N 453.037 6.683 50 10 JKGE ClCc1cc(Br)c(OCc2nscc2Br)c(Br)c1 2219913968 XHXBWNPGCJLNLV-UHFFFAOYSA-N 476.415 5.748 50 10 JKGE Cc1cc(Br)c(C)c([C@@H](Br)[C@]2(Cl)CC2(C)C)c1Br 2222047984 OFVVIHFFJYBHJG-TZMCWYRMSA-N 459.447 6.672 50 10 JKGE CC(C)(C)N1C[C@@H](Cl)[C@H](c2sc(Br)c(Br)c2Br)C1 2222475137 ZOVGUIRRSHTAKJ-RNFRBKRXSA-N 480.491 5.841 50 10 JKGE Cc1cc(Br)c([C@@H](Br)c2cc(Cl)sc2Cl)c(C)c1Cl 2224317854 RKCHXIFCGYUAFA-NSHDSACASA-N 463.449 7.572 50 10 JKGE COc1ccc([C@@H](Br)c2ccc(C)c(I)c2)cc1Br 2224621521 FBNYKXDUHPOGJI-OAHLLOKOSA-N 495.980 5.855 50 10 JKGE C[C@@H](Cn1c(CCCl)nc2cc(Br)c(Br)cc21)N(C)Cc1ccccc1 2225697924 VCPPMSAATRWDDN-AWEZNQCLSA-N 499.678 5.863 50 10 JKGE COC1CC(C[C@@H](Br)c2c(Br)cc(C)c(Br)c2C)C1 2227350350 HHHYJXUZXGIUIB-GCZXYKMCSA-N 455.028 6.080 50 10 JKGE Cc1cc(Br)c([C@H](Br)c2cccc(Cl)c2)c(C)c1Br 2227355097 YIPRHHXHECOJPB-OAHLLOKOSA-N 467.426 6.966 50 10 JKGE CC[C@@H](CC(C)C)[C@H](Br)c1c(Br)cc(C)c(Br)c1C 2227356816 SQTILSHOFHIGOG-LRDDRELGSA-N 455.072 7.337 50 10 JKGE COc1cc(Br)c([C@H](Br)c2c(F)cccc2Br)cc1C 2236009141 NVYMYJBONRWGNZ-HNNXBMFYSA-N 466.970 6.152 50 10 JKGE COc1ccc([C@@H](Br)c2sc(C)cc2Br)c(OC)c1Br 2237634119 UIHMYRMIHXZXIJ-LLVKDONJSA-N 485.035 6.083 50 10 JKGE Cc1sc([C@@H](Cl)c2scc(Br)c2Br)c(Br)c1C 2246384615 VQDSJIUWGNIPFW-VIFPVBQESA-N 479.484 7.042 50 10 JKGE CC[C@H](Br)CN(Cc1ccccc1)C(=O)c1cc(Br)c(F)cc1C 2249338081 YSJHHDAGIQWSPP-HNNXBMFYSA-N 457.181 5.713 50 10 JKGE Clc1cc([C@H](Br)Cc2cc(Br)cc(Br)c2)sc1Cl 2263510715 PAMFOOSNQMMEEA-SECBINFHSA-N 493.873 7.259 50 10 JKGE Cl[C@H](Cc1cc(Br)cc(Br)c1)c1ccccc1Br 2263518594 GPQPMMOIAZDTGL-CQSZACIVSA-N 453.399 6.497 50 10 JKGE COc1cc(Cl)c([C@@H](Br)c2scc(Br)c2Cl)cc1Cl 2264607514 NEFGNAIYEYBUGC-SNVBAGLBSA-N 465.421 6.964 50 10 JKGE Cc1c(Br)sc([C@@H](Br)[C@H]2CC(F)(F)C23CCC3)c1Br 2266147347 ZAYKEIFKYBAQEB-APPZFPTMSA-N 479.022 6.843 50 10 JKGE COc1ccc([C@@H](Br)c2cc(Br)c(Br)s2)c(C)c1C 2269177683 MDWMDYPSTWZFNA-CYBMUJFWSA-N 469.036 6.383 50 10 JKGE C[C@@H]1C[C@@H]1[C@@H]1C[C@@H]1[C@@H](Br)c1c(F)cc(Br)c(F)c1Br 2272856551 YCVBUJXCHRWMNM-LGGPFIHHSA-N 458.966 6.218 50 10 JKGE CC(C)(C)OC(=O)N[C@@H]1CCN(CC2(CBr)CCCCC2)[C@H](C(F)(F)F)C1 2281004311 MHAIHIPKNRIAKZ-CABCVRRESA-N 457.375 5.252 50 10 JKGE CCCc1ccc([C@@H](Br)c2cc(Br)c(C)cc2Br)cc1 2283388127 PPOKORURIJWVDN-QGZVFWFLSA-N 461.035 6.957 50 10 JKGE CCCCCOC(=O)c1ccc(NC(=O)C(C#N)=Cc2ccc(-c3cccc([N+](=O)[O-])c3)o2)cc1 2293038494 HDJBJJKAOVWXKG-UHFFFAOYSA-N 473.485 5.747 50 10 JKGE COc1ccc(-c2nnc(SCC(=O)NN=CC(C)=Cc3ccccc3)n2-c2ccccc2)cc1 2293452852 ZMWOASKYCLQGEY-UHFFFAOYSA-N 483.597 5.241 50 10 JKGE COc1ccc(OCc2cc(C=C(C#N)C(=O)NC(C)(C)CC(C)(C)C)ccc2OC)cc1 2295669984 UGKXHVZFHDREFO-UHFFFAOYSA-N 450.579 5.521 50 10 JKGE CCOc1cc(C=C(C#N)C(=O)NCc2ccccn2)ccc1OCc1cccc(C(F)(F)F)c1 2295672294 JVBFTNOGCIIXSF-UHFFFAOYSA-N 481.474 5.301 50 10 JKGE Cc1ccc(N2C(=O)[C@@H](Cc3cccc(Cl)c3)SC2=C(C#N)C(=O)Nc2ccc(F)cc2)cc1 2296641265 BUWQDXVDDXJDML-HSZRJFAPSA-N 491.975 5.853 50 10 JKGE CC12COC([C@@H](Br)c3ccc(OCc4ccccc4)cc3Br)(C1)C2 2299534422 DASLNPBLHSGRSH-HDYDNRTBSA-N 452.186 6.033 50 10 JKGE FC1(F)CC[C@@H]2[C@@H]([C@@H](Br)c3sc(Cl)cc3I)[C@@H]21 2300954536 ZBHWZUQJZDTTPY-XCBZGROMSA-N 453.517 5.733 50 10 JKGE C[C@]12CC[C@@H]3[C@H](CC=C4C[C@H](OC(=O)C=Cc5ccccc5)CC[C@@]43C)[C@H]1CCC2=NNC(N)=O 2313652938 NMEUWUBEWUDIDC-VRUJONNPSA-N 475.633 5.599 50 10 JKGE N#CC(=Cc1ccc2noc(-c3ccc(Cl)cc3)c2c1)c1nc(-c2ccc(Cl)cc2)cs1 2314571326 DQJUMPXOKKGMIB-UHFFFAOYSA-N 474.372 7.989 50 10 JKGE N#CC(=Cc1ccc(-c2ccccc2F)o1)C(=O)Nc1cc(C(F)(F)F)cc(C(F)(F)F)c1 2314571524 GQEIVUPTQNBEKI-UHFFFAOYSA-N 468.328 6.669 50 10 JKGE CCCCCCOc1ccc(C=C(C#N)C(=O)NCCOc2cccc3ccccc23)cc1OC 2314732802 ZQSXUHMHJNUYEE-UHFFFAOYSA-N 472.585 5.910 50 10 JKGE CCCCCCOc1ccc(C=C(C#N)C(=O)Nc2nc(-c3cccc(OC)c3)cs2)cc1OC 2314754629 XIIVMJVUSLCCFQ-UHFFFAOYSA-N 491.613 6.332 50 10 JKGE Fc1c(Br)cc(Cl)c([C@@H](Cl)c2sccc2Br)c1Br 2315439416 DZAYMXUGICISFP-SECBINFHSA-N 497.836 7.156 50 10 JKGE Fc1c(Br)cc(Cl)c([C@H](Br)[C@H]2[C@@H]3CCO[C@@H]32)c1Br 2315448102 WJXZWEOLTZBCPK-XIKHUYFJSA-N 463.366 5.475 50 10 JKGE Cc1c(Br)sc([C@H](Br)[C@@H]2COC3(C)CC2C3)c1Br 2315927140 DSJNGRLRUXCLML-FBYRBSPMSA-N 459.041 5.833 50 10 JKGE Cc1ccc([C@H](Br)c2sc(Cl)cc2I)c(F)c1F 2316597677 VDGKUAWWJQTLQM-VIFPVBQESA-N 463.512 6.077 50 10 JKGE COc1cc(C=NNC(=O)c2ccc3nc(-c4ccccc4Cl)[nH]c3c2)cc(Cl)c1O 2323743248 ICJRRHXGQSVWES-UHFFFAOYSA-N 455.301 5.015 50 10 JKGE FC(F)(F)[C@H]1C[C@@H]([C@@H](Cl)c2c(Br)sc(Br)c2Br)C1 2327682763 SMAGCIDUBGGCBD-XZFOZZDRSA-N 491.392 6.904 50 10 JKGE COc1cc(C=C(C#N)n2cnc3ccccc32)ccc1OCC(=O)Nc1ccc(C)cc1C 2331032909 ZUQJDQDCAUUZBN-UHFFFAOYSA-N 452.514 5.201 50 10 JKGE CCOc1cc(C=C(C#N)c2ccc(C(=O)OC)o2)ccc1OCc1ccc(Br)cc1 2331048538 XWZXKTXWCWMFQI-UHFFFAOYSA-N 482.330 5.871 50 10 JKGE CC(=O)Nc1ccc(CC(O)=C(C#N)c2nc(-c3ccc(-c4ccccc4)cc3)cs2)cc1 2331231523 VFWDQMRFFGPWPI-UHFFFAOYSA-N 451.551 6.471 50 10 JKGE COc1ccc(Cl)cc1N1C[C@H](C(O)=C(C#N)c2nc(-c3ccc(C(C)C)cc3)cs2)CC1=O 2331340828 TXSQIRYQMWIUER-GOSISDBHSA-N 494.016 6.441 50 10 JKGE Cc1cc(C)c(-c2csc(C(C#N)=C(O)[C@@H](C(C)C)N3C(=O)c4ccccc4C3=O)n2)c(C)c1 2331393228 YTIMDYKPMRIAAW-HSZRJFAPSA-N 471.582 5.849 50 10 JKGE COc1cc(C=C(C#N)c2nc(-c3cc(C)ccc3OC)cs2)ccc1OC(=O)c1ccccc1 2331449373 RRAJLLZUTLFXFD-UHFFFAOYSA-N 482.561 6.419 50 10 JKGE C=CCOc1ccccc1C=C(C#N)c1nc(-c2ccc(OCCCCCCC)cc2)cs1 2331459682 JDFOCQWKLKEISD-UHFFFAOYSA-N 458.627 7.788 50 10 JKGE CCOc1ccc(OCC)c(-c2csc(C(C#N)=Cc3ccc(OCc4ccccc4)cc3)n2)c1 2331470188 QKEYQMUEGGABOK-UHFFFAOYSA-N 482.605 7.251 50 10 JKGE Brc1cc(OCc2ccccc2)ccc1[C@H](Br)[C@@H]1CCCCC12CCC2 2336040363 FCFWXWSALKEYKW-UNMCSNQZSA-N 478.268 7.825 50 10 JKGE CC12CC([C@H](Br)c3ccc(OCc4ccccc4)cc3Br)(C1)C(C)(C)O2 2336040650 HQFUDDMRZIFZHL-JSRJAPPDSA-N 480.240 6.812 50 10 JKGE Fc1c(Br)cc(Cl)c([C@@H](Br)C(C2CC2)C2CC2)c1Br 2337114499 QVQXGGNEYDTJIF-LBPRGKRZSA-N 475.421 6.876 50 10 JKGE COc1c(Br)cc(C)c([C@@H](Br)[C@@H]2CC[C@H]2OC)c1Br 2339677610 DMNUBEICAYTUSK-UISBYWKRSA-N 457.000 5.390 50 10 JKGE COc1ccc([C@H](Br)c2cc(Br)ccc2OCc2ccccc2)cc1OC 2361210689 RYVGQZYMVUEYSE-QFIPXVFZSA-N 492.207 6.530 50 10 JKGE Cc1ccc([C@H](Br)c2c(Cl)cc(Br)c(F)c2Br)cc1F 2362222049 GSNYYTNCPHKFOJ-LBPRGKRZSA-N 489.379 6.936 50 10 JKGE Cc1ccccc1C[C@H](Br)c1c(Cl)cc(Br)c(F)c1Br 2362229472 KJRGLTSALXYPKT-JTQLQIEISA-N 485.416 6.991 50 10 JKGE Cc1cc(Br)c(F)c(Br)c1[C@H](Br)[C@@H]1CCCCS1(=O)=O 2365186281 OQWXXISPJUFOHD-GXSJLCMTSA-N 493.030 5.062 50 10 JKGE COc1c(Br)cc(C)c([C@@H](Br)[C@@H]2CCCC2(F)F)c1Br 2365230420 IULXNIDVADJVBV-KWQFWETISA-N 476.981 6.400 50 10 JKGE COc1c(CBr)cccc1OCc1c(Br)cccc1Br 2367238440 QLEULRRLGCWIOX-UHFFFAOYSA-N 464.979 5.694 50 10 JKGE CC[C@](CCl)(Cc1ccc(I)c(Br)c1)c1ccccc1 2377334286 IKCVUEXUXYGFCC-QGZVFWFLSA-N 463.584 6.183 50 10 JKGE COc1ccc(C)cc1N(C(=O)CCl)[C@H](C(=O)N[C@@H]1CCCC[C@H]1C)c1ccc(Cl)cc1 3035086 WUOCNUYIAKWAOU-PWAGRJGVSA-N 477.432 5.665 50 10 JKGE CCOC(=O)/C(C#N)=C\c1cc(Cl)c(OCCOc2ccc(Br)cc2)c(OCC)c1 6600408 LZIOAZXXSKEMSZ-WJDWOHSUSA-N 494.769 5.429 50 10 JKGE CCOC(=O)c1c(NC(=O)/C(C#N)=C/c2ccc(OCc3ccccc3)c(OC)c2)sc(C)c1C 14151319 ZSADFEDQAHUGQV-FYJGNVAPSA-N 490.581 5.675 50 10 JKGE CCOc1cc(/C=N/NC(=O)c2c(-c3ccccc3)noc2C)ccc1OC(=O)c1cccs1 20076250 WQYNWOXCDDTOCG-CVKSISIWSA-N 475.526 5.093 50 10 JKGE O=C(CCCNc1ccc(Br)cc1)N/N=C/c1ccc(OCc2ccc(F)cc2)o1 20291527 SVRDVBQRWABJJE-VULFUBBASA-N 474.330 5.103 50 10 JKGE COc1ccc(/C=C(\C#N)C(=O)Nc2ncc(Cc3cc(Cl)ccc3Cl)s2)cc1OC 27532100 KNBVKXGGWJYNTO-VIZOYTHASA-N 474.369 5.604 50 10 JKGE FC(F)(F)c1ccc2c(c1)/C(=C/CCN1CCN(CCBr)CC1)c1ccccc1S2 33676431 MJXDOOJJFLVYCF-BLLMUTORSA-N 497.424 6.004 50 10 JKGE in-vitro N#C/C(=C/c1cn(CC(=O)Nc2ccc(F)cc2)nc1-c1ccccc1)c1nc(O)c2ccccc2n1 34988209 RYKVMLVSSZJIBX-RGEXLXHISA-N 490.498 5.041 50 10 JKGE C=CCNC(=O)/C(C#N)=C\c1cn(-c2ccccc2)nc1-c1cccc(OCc2ccc(Cl)cc2)c1 35446104 GXQSCRWCXQNNOS-KQWNVCNZSA-N 494.982 5.981 50 10 JKGE C[C@H](Oc1ccc(F)cc1)C(=O)Oc1ccc2c(c1)OC(N)=C(C#N)[C@@H]2c1cccc(Cl)c1 38651209 IJUDPHDHHCEQPS-LFVRLGFBSA-N 464.880 5.070 50 10 JKGE CC(C)Oc1ccc(C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@H]3c2ccc(Cl)cc2)cc1 38651364 JHJLZXKCDKOACL-DEOSSOPVSA-N 460.917 5.565 50 10 JKGE CCCOc1cccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4ccc(Cl)cc4Cl)ccc32)c1 38684407 RKXAIHFVTPEYTD-DEOSSOPVSA-N 495.362 6.220 50 10 JKGE CCCOc1ccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4cc5ccccc5oc4=O)ccc32)cc1 38687490 VBUJQYGYYJKKKL-SANMLTNESA-N 494.503 5.019 50 10 JKGE N#C/C(=C\c1ccc(OCc2ccc(Cl)cc2Cl)cc1)C(=O)N1CCN(c2ccccc2)CC1 59676571 HVWVSXDZYHWBAI-CJLVFECKSA-N 492.406 5.828 50 10 JKGE CCCCC1CCC(C(=O)Nc2ccc(C(=O)[C@H](Br)CCC)cc2OCC)CC1 71432629 ONFCRGLOQJMFTI-AFMYVXGZSA-N 466.460 6.767 50 10 JKGE Cc1ccc(Cl)cc1NC(=O)/C(C#N)=C\c1cc(C)n(-c2sc3c(c2C#N)CCCC3)c1C 96476330 AJEAHSWXDJJSOT-ODLFYWEKSA-N 475.017 6.414 50 10 JKGE BrC[C@H](Cc1ccc(I)cc1)Cc1ccccc1Br 97186099 MODILXFWNVKTPR-CYBMUJFWSA-N 494.008 5.850 50 10 JKGE CC1=C(C#N)C(=O)N(Cc2ccc(C)cc2)C(=O)/C1=C/c1cn(-c2ccccc2)nc1-c1ccc(C)cc1 101339410 CYJFZCRZNFTXPM-OGLMXYFKSA-N 498.586 5.949 50 10 JKGE CCOc1ccc(-c2nn(-c3ccccc3)cc2/C=C(/C#N)C(=O)NC2CCCCC2)c(C)c1 102833203 VHCSEGQSAHTZNZ-FXBPSFAMSA-N 454.574 5.602 50 10 JKGE CCOC(=O)c1c(N/C=C(/C#N)c2nc(-c3ccc([N+](=O)[O-])cc3)cs2)sc2c1CCC2 105066646 ZNQGDXIQLJYSPD-KAMYIIQDSA-N 466.544 5.422 50 10 JKGE Clc1ccc(C[C@@H](Br)c2cc(Br)ccc2Br)cc1Cl 109844461 DRLDLWQSHHIHOO-GFCCVEGCSA-N 487.844 7.197 50 10 JKGE N#C/C(=C(\O)c1ccc(-c2cccc([N+](=O)[O-])c2)o1)c1nc(-c2ccc3ccccc3c2)cs1 110515736 NXPCGWOEONHJSD-NJNXFGOHSA-N 465.490 7.081 50 10 JKGE Cc1c(Br)cccc1[C@@H](Br)c1cc(F)c(Br)cc1F 115161631 GZPNYDFLJPLGQJ-CQSZACIVSA-N 454.934 6.283 50 10 JKGE Fc1cc([C@H](Cl)c2cc(Br)c(Br)s2)ccc1Br 128165601 XXZYSYRLQBDJHB-JTQLQIEISA-N 463.391 6.503 50 10 JKGE Cc1cc(Br)c([C@H](Br)[C@H]2CCCc3ccccc32)cc1Br 128828785 ITCVGJVAQFSQMC-KBXCAEBGSA-N 473.046 7.076 50 10 JKGE CCOc1ccc(Br)cc1[C@@H](Br)c1ccc(C)c(Br)c1 130463109 ZMYMNTGQDWGCOX-INIZCTEOSA-N 463.007 6.403 50 10 JKGE O=C(c1cc(Br)c(Br)s1)N(CCBr)Cc1ccccc1 160086699 BHNTYKUCTCFBFW-UHFFFAOYSA-N 482.035 5.310 50 10 JKGE Cc1cc(Br)cc(CBr)c1OCCOc1cccc(Br)c1 167023921 TVQIPBXMAYJOIG-UHFFFAOYSA-N 479.006 5.873 50 10 JKGE CCCOc1cccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)/C=C\c4ccc(C)cc4)ccc32)c1 205658423 RKWSKYQVLUHUFS-ZNUHJYPLSA-N 466.537 5.621 50 10 JKGE N#C/C(=C/N1CCN(C(c2ccccc2)c2ccccc2)CC1)C(=O)Nc1cc(Cl)ccc1Cl 217131239 CXXXOKUWEAIBLO-QOCHGBHMSA-N 491.422 5.747 50 10 JKGE FC(F)(F)C(O[C@H](CI)c1ccc(Br)cc1)C(F)(F)F 226032760 GLNRLCMDKFKQMF-MRVPVSSYSA-N 476.980 5.435 50 10 JKGE Cc1cc([C@@H](Br)c2ccc(I)c(Cl)c2)c(F)cc1F 232344478 PBDYEXXWXLEIIP-AWEZNQCLSA-N 457.483 6.016 50 10 JKGE COc1ccc(C)cc1[C@@H](Br)c1cc(Br)ccc1I 234840656 MJLRALXLWUMSBG-HNNXBMFYSA-N 495.980 5.855 50 10 JKGE COc1ccc([C@H](Br)c2ccc(Cl)cc2Br)cc1Br 234998149 QMJWQBHXTOXTCB-AWEZNQCLSA-N 469.398 6.358 50 10 JKGE Cc1cc(F)cc(C)c1[C@H](Br)c1cc(Br)cc(Br)c1 235785981 YWGCNXLHOWNTER-OAHLLOKOSA-N 450.971 6.452 50 10 JKGE Cl[C@@H](c1ccc(Br)cc1)c1cc(I)ccc1Br 236032712 BKXQBWIFTXAHQV-ZDUSSCGKSA-N 486.372 6.144 50 10 JKGE COc1cc(C=NNC(=O)c2cc3c(ccc4ccccc43)o2)ccc1OCc1cccc(F)c1 252595266 BYXKTVGXVBOMKX-UHFFFAOYSA-N 468.484 6.077 50 10 JKGE CC(=NNC(=O)c1cccc(Br)c1)c1cccc(NC(=O)c2cccc(Cl)c2)c1 252632473 VUEWJLASIODSHX-UHFFFAOYSA-N 470.754 5.509 50 10 JKGE CCCCCCCCCCCC(=O)NCC(=O)NN=Cc1cccc(OCc2ccccc2)c1 254379935 ARHLZGVIOKKJRU-UHFFFAOYSA-N 465.638 5.753 50 10 JKGE Cc1ccc(CSc2nnc(SCC(=O)NN=Cc3c(O)ccc4ccccc34)s2)cc1 254505630 MHSIUTWMQSKEDU-UHFFFAOYSA-N 480.640 5.240 50 10 JKGE BrCC(CBr)(CCC1CCCC1)c1cccc(Br)c1 302237644 BIENTPQMUMHWIC-UHFFFAOYSA-N 453.056 6.447 50 10 JKGE COc1c(Br)cc(Cl)cc1[C@@H](Br)c1cnn(C)c1Br 381874850 GQSHGXWDYGVVBH-SNVBAGLBSA-N 473.390 5.091 50 10 JKGE Cc1ccc([C@@H]2CN(C(=O)OCc3ccccc3)C[C@H]2CBr)c(Br)c1 382689938 LMCSPNFGGQKIPV-SJLPKXTDSA-N 467.201 5.505 50 10 JKGE C[C@@H](Cl)c1nc2cnc3ccccc3c2n1CCCN(Cc1ccccc1)Cc1ccccc1 390590197 SBYLAUKORLTKRA-JOCHJYFZSA-N 469.032 6.977 50 10 JKGE Cc1cc(F)c([C@H](Cl)c2cc(I)ccc2Br)cc1Cl 395826260 UBQORRCUOJBRTK-CQSZACIVSA-N 473.938 6.483 50 10 JKGE Fc1cccc(C[C@@H](CBr)Cc2cc(Cl)ccc2I)c1 405518371 IEGLCQZSJHAFBD-GFCCVEGCSA-N 467.547 5.880 50 10 JKGE CN(Cc1cscc1Br)c1ccc(CBr)cc1Br 709993511 ZBYGBWMWZDHTTF-UHFFFAOYSA-N 454.025 5.804 50 10 JKGE CC[C@H](COc1c(Br)cc(Br)cc1CBr)CC(F)F 710841255 XMRWHLLHIVFICR-QMMMGPOBSA-N 464.970 6.167 50 10 JKGE C[C@@H]1Cc2cc(Br)cc([C@H](Cl)c3sccc3I)c2O1 720133420 RYQYSTCTLOMQMX-KRTXAFLBSA-N 469.569 5.767 50 10 JKGE O=C(OCC1c2ccccc2-c2ccccc21)N1CCOc2c(CBr)cccc2C1 725260697 VAHGNCFIZAKHPI-UHFFFAOYSA-N 464.359 5.725 50 10 JKGE Cc1cc(C=NNC(=O)c2ccc(CSCc3ccccc3)cc2)c(C)n1-c1ccccc1F 725405232 HFNOBAFTEZQUBQ-UHFFFAOYSA-N 471.601 6.431 50 10 JKGE C=CCOc1c(Br)cc(/C=C(/C#N)C(=O)Nc2ccc(C)cc2)cc1Br 1084231330 QKZHAQNVUASNDK-DHDCSXOGSA-N 476.168 5.631 50 10 JKGE O=C(NN=Cc1ccccc1OCc1ccc(Br)cc1)c1ccc(Br)cc1 1084500223 FYFCYGSLEBNKJX-UHFFFAOYSA-N 488.179 5.555 50 10 JKGE O=C(NN=Cc1ccc(-c2cc(Cl)ccc2Cl)o1)c1cc2cc(Br)ccc2o1 1084596279 NNOYWXKWEMIJKH-UHFFFAOYSA-N 478.129 6.526 50 10 JKGE COc1ccc(/C(C#N)=C/c2ccc(OC(=O)C34CC5CC(CC(C5)C3)C4)c(OC)c2)cc1OC 1615066148 WCEUNOVTSPBYBQ-FOKLQQMPSA-N 473.569 5.898 50 10 JKGE N#CC1=C(N)Oc2c(c(C(F)(F)F)nn2Cc2cccc(Cl)c2)[C@H]1c1ccc(Cl)c(Cl)c1 1865685337 IECVULWHZVTTOY-INIZCTEOSA-N 499.707 6.129 50 10 JKGE CCCc1nn(Cc2cccc(F)c2)c2c1[C@H](c1ccc(Cl)cc1Cl)C(C#N)=C(N)O2 1865686395 VBUCJAGHHHTLCW-HXUWFJFHSA-N 457.336 5.548 50 10 JKGE CCc1nn(-c2ccc(C)cc2)c2c1[C@@H](c1ccc(OCc3ccc(Cl)cc3)cc1)C(C#N)=C(N)O2 1865695542 POWVMSPMQBRTHW-SANMLTNESA-N 496.998 6.194 50 10 JKGE N#CC1=C(N)Oc2c(c(-c3ccccc3)nn2Cc2ccccc2Cl)[C@H]1c1c[nH]c2ccccc12 1865700317 PPUXQPUHJXABCS-XMMPIXPASA-N 477.955 5.951 50 10 JKGE CCCc1nn(-c2ccccc2)c2c1[C@H](c1ccc(N(CC)Cc3ccccc3)cc1)C(C#N)=C(N)O2 1865706682 CIGOYWUQUCEWQD-MUUNZHRXSA-N 489.623 6.069 50 10 JKGE N#CC1=C(N)Oc2c(c(-c3ccccc3)nn2-c2cccc3ccccc23)[C@H]1c1ccc([N+](=O)[O-])cc1 1865713169 SPQJFEZRHSJZID-VWLOTQADSA-N 485.503 5.819 50 10 JKGE CCOC(=O)c1c(-c2ccc(C(C)C)cc2)csc1NC(=O)/C(C#N)=C/c1ccc(OC)cc1 1866126238 GEZHUUJBOJBDDH-KGENOOAVSA-N 474.582 6.269 50 10 JKGE N#CSc1ccc(NC(=O)[C@@H](NC(=O)CCCC(=O)c2cccs2)c2ccccc2)cc1 1866791358 BYHDSGCJQFGIFF-QHCPKHFHSA-N 463.584 5.170 50 10 JKGE CC(C)[C@H]1c2[nH]cnc2CCN1c1cc(Nc2ccc(SC#N)cc2)nc(Cc2ccccc2)n1 1868207136 HHNYHINUIGKPQB-MHZLTWQESA-N 481.629 5.867 50 10 JKGE C[C@@H]1COC[C@@H](C)N1c1cc(Nc2ccc(SC#N)cc2)nc(-c2ccccc2Cl)n1 1868413611 BWNYTEIEDDRHHY-HZPDHXFCSA-N 451.983 5.727 50 10 JKGE CCCOC(=O)c1ccc(Oc2c(C)oc3cc(OCc4cccc(CCl)c4)ccc3c2=O)cc1 1871437406 WBZHOZFWSWXESK-UHFFFAOYSA-N 492.955 6.778 50 10 JKGE Cc1ccc(C)c(-c2csc(/C(C#N)=C(\O)CN3C(=O)COc4ccc(Cl)cc43)n2)c1 1872749900 MPCDLFZWWSBGQS-JZJYNLBNSA-N 451.935 5.299 50 10 JKGE N#C/C(=C(/O)COc1cc(Cl)ccc1Cl)c1nc(-c2cccc3ccccc23)cs1 1872752101 NOTLQUUIHBRVLA-UZYVYHOESA-N 453.350 7.142 50 10 JKGE COc1ccc(Cl)cc1/C(O)=C(\C#N)c1nc(-c2cc(Cl)cc(Cl)c2OC)cs1 1872754186 HFLYOYPKUSTRIQ-JXAWBTAJSA-N 467.761 6.737 50 10 JKGE CCCCOc1ccc(/C(O)=C(\C#N)c2nc(-c3ccc(F)cc3F)cs2)cc1OCC 1872817915 CUYPJCOHIXPTMV-NKFKGCMQSA-N 456.514 6.616 50 10 JKGE C[C@H](CCCl)N(Cc1ccccc1)C(=O)c1cc(Br)cc(Br)c1 1915093106 QTEVRNOEGDCGFR-CYBMUJFWSA-N 459.609 5.871 50 10 JKGE CC(C)[C@@H](CBr)N(Cc1ccccc1)C(=O)c1ccc(OCc2ccccc2)cc1 1915259024 GAYUEVUHILVZNN-RUZDIDTESA-N 466.419 6.328 50 10 JKGE CN(C[C@@H](Br)COCc1ccccc1)c1ncc(Br)cc1Br 1916347238 HKAVQUWEULJTFM-CQSZACIVSA-N 493.037 5.023 50 10 JKGE Cc1cc2c(cn1)nc([C@H](C)Cl)n2CC1(N(Cc2ccccc2)Cc2ccccc2)COC1 1917819503 IIKNLPFYLPOMKF-NRFANRHFSA-N 461.009 5.511 50 10 JKGE Cc1c(Br)sc([C@@H](Br)c2cccc(Cl)c2Cl)c1Br 1922897726 PHRNHSJIMHMZDV-VIFPVBQESA-N 493.873 7.373 50 10 JKGE Cc1c(Br)sc([C@H](Br)C2CC3(CCCO3)C2)c1Br 1922935771 SBULLJWGBCOVKD-MDGUTJNFSA-N 459.041 5.977 50 10 JKGE Cc1cc([C@H](Br)c2sc(Br)cc2Br)c(F)cc1F 1922946510 RRZXFJIYSFJIQH-NSHDSACASA-N 460.963 6.344 50 10 JKGE Brc1cnccc1C[C@H](Br)c1sccc1I 1924038065 BEXSGLKMFBRZFM-QMMMGPOBSA-N 472.971 5.189 50 10 JKGE Fc1ccc([C@H](Cl)c2c(Cl)sc(Cl)c2Cl)c(I)c1 1925586824 DGVPFTQJWUIMND-QMMMGPOBSA-N 455.934 6.780 50 10 JKGE Cc1cc(Br)sc1[C@@H](Br)c1ccc(I)cc1 1939445603 BXATZQQKOLPHRB-NSHDSACASA-N 471.983 5.908 50 10 JKGE Brc1scc([C@H](Br)c2ccc(C3CC3)s2)c1Br 1945188921 FBUNQMUNKBKPKQ-JTQLQIEISA-N 457.050 6.696 50 10 JKGE O=C(O)C[C@H](CCCC[C@@H]1CCSS1)NC(=O)OCC1c2ccccc2-c2ccccc21 1951369465 VEINJLDSHFRMBT-ZWKOTPCHSA-N 471.644 6.083 50 10 JKGE Cc1cc(Cl)c(Br)cc1[C@H](Cl)c1sccc1I 2023703444 APKYQLVLWMAKQB-NSHDSACASA-N 461.977 6.405 50 10 JKGE CCc1cc(Br)c([C@H](Br)c2ccc(C)cc2Br)s1 2029235243 OWZBZRQIQWFLAF-CYBMUJFWSA-N 453.037 6.628 50 10 JKGE CS(=O)(=O)c1csc([C@@H](Cl)c2scc(Br)c2Br)c1 2032167728 OEEWCVWYMVLJJJ-SECBINFHSA-N 450.626 5.066 50 10 JKGE CC(C)(C)C[C@@H](CBr)NC(=O)c1csc(Br)c1Br 2032958484 FHFVBPMNJLWMJB-ZETCQYMHSA-N 462.045 5.203 50 10 JKGE Brc1cc(Br)c([C@@H](Br)[C@@H]2CC3(CCCC3)CO2)s1 2047512804 CIAPKTKCPGLQND-ONGXEEELSA-N 459.041 6.058 50 10 JKGE Fc1ccc(I)cc1[C@H](Br)c1ccc(Cl)c(Cl)c1 2050462998 HIZJRZSIAQZRRE-CYBMUJFWSA-N 459.911 6.221 50 10 JKGE CCO[C@@H]1CC[C@H]([C@@H](Br)c2sc(Br)c(C)c2Br)C1 2054495394 GZRACVKKXNIZPD-IQJOONFLSA-N 461.057 6.223 50 10 JKGE Cc1c(Br)ccc([C@@H](Cl)c2ccc(Br)cc2)c1Br 2083317212 DLZVEKUZSDTYFP-AWEZNQCLSA-N 453.399 6.611 50 10 JKGE CCc1cc(Br)c([C@@H](Br)c2cc(C)cc(Br)c2F)s1 2089708874 FYKFFJNNQVNMGG-LBPRGKRZSA-N 471.027 6.767 50 10 JKGE Brc1cccc(Br)c1CN1C[C@H]2C[C@@H](Br)CC[C@H]2C1 2094088222 IQVYVDMHBHYDFF-TUAOUCFPSA-N 452.028 5.207 50 10 JKGE Brc1cccc(C[C@@H](Br)c2cc(C3CC3)c(Br)s2)c1 2094673150 HWJBJLTUIBOWNT-CYBMUJFWSA-N 465.048 6.829 50 10 JKGE Fc1cc(Br)c([C@H](Br)c2scc(Cl)c2Cl)c(F)c1F 2096224049 LFTSIEKSSGXZBE-ZETCQYMHSA-N 454.920 6.719 50 10 JKGE COc1cc(Br)c(Oc2cc(CBr)ccn2)cc1Br 2098625100 PKKAQYAOXOCRJD-UHFFFAOYSA-N 451.940 5.302 50 10 JKGE CC[C@@](C)(Cn1c(CCl)nc2cc(I)ccc21)N(C)Cc1ccccc1 2098896198 KOBCGQZBEMJRTN-NRFANRHFSA-N 481.809 5.680 50 10 JKGE C[C@@H]1CC[C@H](COc2c(Br)cc(Br)cc2CBr)OC1 2116417000 CVYLBPYHCHOWBB-BXKDBHETSA-N 457.000 5.300 50 10 JKGE C[C@H](c1cc(Br)cs1)N(C)c1ccc(CBr)c(Br)c1 2130023222 UNDXUEMTHGFIKD-SECBINFHSA-N 468.052 6.365 50 10 JKGE Cc1c(Br)ccc([C@@H](Br)[C@H]2CC23CCOCC3)c1Br 2138850185 LPKJCIJYTXBQRL-BXUZGUMPSA-N 453.012 5.773 50 10 JKGE O=C(c1cc(Br)sc1Br)N1CCCC[C@@H]1CCCBr 2141716154 KPWXAKDTIGSKDP-SECBINFHSA-N 474.056 5.443 50 10 JKGE C[C@@H]1CC(COc2c(Br)cc(CBr)cc2Br)C[C@@H](C)C1 2149158355 CXVCPDLNGKNGII-QWRGUYRKSA-N 469.055 6.558 50 10 JKGE O=C(c1c(Br)cccc1Br)N1CCC(CCCBr)CC1 2150494931 UGXZTLJPOAZCPW-UHFFFAOYSA-N 468.027 5.239 50 10 JKGE COc1cccc([C@H](Br)CCc2c(Br)cccc2Br)c1 2155651936 QRFDPDAUCBKUES-CQSZACIVSA-N 463.007 6.289 50 10 JKGE C[C@@H]1CCO[C@@H]1CCC(CBr)(CBr)c1cccc(Br)c1 2157325655 GMTHHXNCNSDAOK-IUODEOHRSA-N 469.055 5.682 50 10 JKGE C[C@@H]1CC[C@H](CCC(CBr)(CBr)c2ccccc2Br)O1 2161113970 LUYXTFJKXAMSFA-CHWSQXEVSA-N 469.055 5.824 50 10 JKGE C[C@@H](Cl)c1nc2cc(Cl)c(Br)cc2n1[C@]1(C)CCN(Cc2ccccc2)C1 2169004965 FGAAQTAYDVKVHS-SPLOXXLWSA-N 467.238 6.373 50 10 JKGE C[C@H]1C[C@H](n2c(CCCl)nc3cc(Cl)c(Br)cc32)CN1Cc1ccccc1 2169008533 WGMXKROAHOEKJG-HOCLYGCPSA-N 467.238 6.069 50 10 JKGE Clc1cc([C@H](Br)c2c(Cl)cccc2Br)c(Cl)c(Cl)c1Cl 2169463150 ACTSUXCYJJMXMC-JTQLQIEISA-N 498.256 8.200 50 10 JKGE CCc1ncncc1COc1c(Br)cc(Br)cc1CBr 2178821595 IRHVBFNZNQIGIL-UHFFFAOYSA-N 464.983 5.038 50 10 JKGE CCOc1ccc([C@@H](Br)c2c(Br)nn(C)c2C)cc1Br 2188147314 MGBLZZCGJCMXGN-CYBMUJFWSA-N 466.999 5.137 50 10 JKGE Cc1cc(Br)c(C)c([C@@H](Br)c2cc(F)ccc2Cl)c1Br 2201071577 RMWFGZRBHXEXEH-HNNXBMFYSA-N 485.416 7.105 50 10 JKGE COc1ccc([C@@H](Br)c2cc(Cl)ccc2Br)c(Cl)c1Cl 2203431433 CQYCIDMIUJZWMO-GFCCVEGCSA-N 459.392 6.902 50 10 JKGE Cc1ccc(I)c([C@H](Br)c2cc(C)c(Br)s2)c1 2217422176 FPPVWOYMJOJUCE-LBPRGKRZSA-N 486.010 6.216 50 10 JKGE Fc1cc(Br)c(Br)cc1[C@H](Br)[C@@H]1C[C@H]1C1CCCC1 2225618499 XWINVLXRHMLWQV-FEUHOPSXSA-N 455.003 6.613 50 10 JKGE CCCCCCc1ccc([C@@H](Br)c2sccc2I)s1 2225751464 WHSSRIMNENDNLL-CQSZACIVSA-N 469.251 7.021 50 10 JKGE Cc1sc([C@@H](Br)c2ccc(F)c(Br)c2F)c(C)c1Br 2226075770 HVFGRIAYJJIAMQ-JTQLQIEISA-N 474.990 6.652 50 10 JKGE O=C(c1c(F)cccc1I)N(Cc1ccccc1)C1(CCl)CCC1 2247967415 ISJQWQMVJRLJPB-UHFFFAOYSA-N 457.714 5.234 50 10 JKGE Clc1cccc([C@H](Cl)c2cc(Br)c(Br)s2)c1Br 2248090484 HYBIBXHDSJAXCK-JTQLQIEISA-N 479.846 7.017 50 10 JKGE Cn1nc([C@H](Cl)Cc2cc(Br)cc(Br)c2)cc1Br 2263506967 AMFPKNKHKWDAIU-SNVBAGLBSA-N 457.391 5.230 50 10 JKGE COc1ccc([C@H](Cl)c2cccc(OCc3ccccc3)c2)c(Br)c1Cl 2268263878 MQJMKNMDBVHOKH-HXUWFJFHSA-N 452.175 7.018 50 10 JKGE Fc1cc(Br)c(F)c(Br)c1[C@@H](Br)C(F)(F)CC1CC1 2272747988 PVHWZFHJRULJKT-LLVKDONJSA-N 468.908 6.361 50 10 JKGE CN(Cc1cccc(I)c1)c1cc(F)cc(F)c1CBr 2280264724 UTKUZMITZZEKOK-UHFFFAOYSA-N 452.080 5.101 50 10 JKGE C[C@@H](Cl)c1nc2cnc(C3CCC3)nc2n1CCCN(Cc1ccccc1)Cc1ccccc1 2286682500 OZNQPIIOAJBPBO-OAQYLSRUSA-N 474.052 6.486 50 10 JKGE COc1nccc2c1nc([C@@H](C)Cl)n2CC1(N(Cc2ccccc2)Cc2ccccc2)COC1 2288662403 NWDIJSFGLGPICN-HXUWFJFHSA-N 477.008 5.211 50 10 JKGE COc1cc(C=C(C#N)c2nc3cc(Br)cnc3[nH]2)ccc1OCc1ccccc1 2293841555 QIYAFYYFQFDYMQ-UHFFFAOYSA-N 461.319 5.372 50 10 JKGE COc1cc(C)c(Cl)cc1[C@H](Br)c1ccc(I)c(C)c1 2295365604 RCGPNCBRRWKDQV-MRXNPFEDSA-N 465.556 6.054 50 10 JKGE COc1cc2c(cc1NC=C(C#N)c1nc(-c3ccc([N+](=O)[O-])cc3)cs1)oc1ccccc12 2295945613 CBKDRZKLBXMGHB-UHFFFAOYSA-N 468.494 6.603 50 10 JKGE Clc1cc(Br)ccc1COc1c(Cl)cc(CBr)cc1Cl 2296307237 RKUYTWOKIPNPJC-UHFFFAOYSA-N 459.392 6.883 50 10 JKGE O=C(CSc1nc2ccccc2n1Cc1ccccc1Cl)NN=CC(Cl)=Cc1ccccc1 2296679455 GEXUZTXXZDUANC-UHFFFAOYSA-N 495.435 6.212 50 10 JKGE CCCOc1ccc(-c2nn(-c3ccccc3)cc2C=C(C#N)c2nc3ccccc3s2)cc1C 2296729358 DDDKLJCUZGZLGW-UHFFFAOYSA-N 476.605 7.310 50 10 JKGE N#CC(=CNc1ccccc1I)c1nc(-c2ccc([N+](=O)[O-])cc2)cs1 2296751849 DMFQLQYHUIOUBS-UHFFFAOYSA-N 474.283 5.299 50 10 JKGE Cn1c([C@@H](Br)c2cc(Br)ccc2OCc2ccccc2)cnc1Cl 2299502132 UNAFXYWQNFBNGR-KRWDZBQOSA-N 470.592 5.899 50 10 JKGE Cc1ccc(NC(=O)C(C#N)=Cc2cc(Cl)c(OCc3ccccc3F)c(Cl)c2)cc1 2313567206 DBSGPIMPRVXDDN-UHFFFAOYSA-N 455.316 6.566 50 10 JKGE Cc1cccc(COc2ccc(Br)cc2C=C(C#N)C(=O)Nc2cccc([N+](=O)[O-])c2)c1 2313676672 QPGMMMRNZTYLKW-UHFFFAOYSA-N 492.329 5.790 50 10 JKGE N#CC(=Cc1cn(Cc2ccccc2F)c2ccccc12)C(=O)Nc1cccc(C(F)(F)F)c1 2313676782 FQMVQAAERIVVKX-UHFFFAOYSA-N 463.434 6.393 50 10 JKGE CCn1cc([C@H](Cl)c2cc(Br)ccc2OCc2ccccc2)nc1Br 2314451037 BEURSVVKXBDOAT-GOSISDBHSA-N 484.619 6.335 50 10 JKGE COC[C@]1([C@H](Br)c2ccc(OCc3ccccc3)cc2Br)CCCO1 2314454072 CIMDHFPRMCHJNR-UXHICEINSA-N 470.201 5.660 50 10 JKGE CCc1ccc(N2C(=O)[C@H](Cc3ccc(F)cc3)SC2=C(C#N)C(=O)N[C@@H](C)c2ccccc2)cc1 2314593581 POEBIVJOVOZLOY-SIBVEZHUSA-N 499.611 5.692 50 10 JKGE CCCCOc1ccc(C=C2C(=O)N(Cc3ccccc3Cl)C(=O)C(C#N)=C2C)cc1OCC 2314619957 HYEZKEXGKVTTHU-UHFFFAOYSA-N 478.976 5.710 50 10 JKGE C=CCOc1cccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)C=Cc4ccccc4Cl)ccc32)c1 2314634704 BJOFUZZYVKTPBR-MHZLTWQESA-N 484.939 5.742 50 10 JKGE COC(C)(C)C1([C@@H](Cl)c2c(Br)sc(Br)c2Br)CC1 2320585330 BPUSBDNKPCYGAL-QMMMGPOBSA-N 481.475 6.521 50 10 JKGE C[C@H](C(O)=C(C#N)c1nc(-c2ccc(-c3ccccc3)cc2)cs1)N1C(=O)c2ccccc2C1=O 2331231565 CHUCMSMVZJYUCV-QGZVFWFLSA-N 477.545 5.954 50 10 JKGE N#CC(=C(O)CCCOc1ccc2ccccc2c1)c1nc(-c2ccc([N+](=O)[O-])cc2)cs1 2331281650 ZHURCCLLOJTEEB-UHFFFAOYSA-N 457.511 6.523 50 10 JKGE CCCOc1ccc(-c2csc(C(C#N)=Cc3ccc4c(c3)OCCO4)n2)cc1OCCC 2331437984 NIMINMCCHNCTOJ-UHFFFAOYSA-N 462.571 6.223 50 10 JKGE Brc1cc(OCc2ccccc2)ccc1[C@@H](Br)c1ccc2sncc2c1 2336041801 QTVQDDKZPRYQQS-NRFANRHFSA-N 489.232 7.122 50 10 JKGE C[C@@H]1CC[C@@](C)([C@@H](Br)c2cc(Br)ccc2OCc2ccccc2)C1(C)C 2336050676 MFBSPRJBQNZRLL-HNKPZJSLSA-N 480.284 7.927 50 10 JKGE CC1(C)COC[C@H]1[C@H](Br)c1c(F)cc(Br)c(F)c1Br 2336199257 AZDPUCVMKCZAML-WKEGUHRASA-N 462.954 5.598 50 10 JKGE CC(C)(C)[C@@H]1C[C@H]1[C@H](Br)c1c(Cl)cc(Br)c(F)c1Br 2337082640 OLPCWLRNUHSOFO-AMXGMDGSSA-N 477.437 7.122 50 10 JKGE CN(Cc1ccc(Cl)c(I)c1)C1(CBr)CCSCC1 2337230652 VSKQUQGBXHZFIJ-UHFFFAOYSA-N 474.633 5.037 50 10 JKGE ClCC(CCl)(Cc1sccc1I)c1cccc(Br)c1 2338756290 YBCYESSLORFDEY-UHFFFAOYSA-N 490.031 6.073 50 10 JKGE Cc1cc(Br)c(F)c(Br)c1[C@H](Cl)c1cc(Br)n(C)n1 2339683749 GUGRZWNOYYJTAA-LLVKDONJSA-N 475.381 5.483 50 10 JKGE O=S1(=O)C[C@@H]2CCC[C@]2([C@H](Cl)c2cc(Br)ccc2OCc2ccccc2)C1 2361171765 MJRATYGWDCBPJB-DQLDELGASA-N 469.828 5.523 50 10 JKGE COc1c(Br)cc(C)c([C@H](Br)C[C@@H]2CC[C@@H]3C[C@H]23)c1Br 2365192736 XCPRQIAJHNYOQV-NOOOWODRSA-N 467.039 6.401 50 10 JKGE COc1c(Br)cc(C)c([C@H](Cl)c2cc(Cl)sc2Cl)c1Br 2365196958 RMLIDOSKNLEGKB-LLVKDONJSA-N 479.448 7.225 50 10 JKGE COc1c(Br)cc(C)c([C@H](Br)[C@H]2C(F)(F)C23CC3)c1Br 2365235978 MTVXOXDITDJQKG-CMPLNLGQSA-N 474.965 6.010 50 10 JKGE COC(C)(C)C1([C@H](Br)c2c(C)cc(Br)c(F)c2Br)CC1 2369561902 NIBFCTQOKBNATO-CYBMUJFWSA-N 473.018 6.300 50 10 JKGE COC(C)(C)C1([C@@H](Br)c2c(C)cc(Br)c(F)c2Br)CC1 2369561903 NIBFCTQOKBNATO-ZDUSSCGKSA-N 473.018 6.300 50 10 JKGE COCc1cc(Br)c([C@H](Br)c2cc(F)c(Cl)cc2Cl)s1 2379735140 OTOIENCMMVRHKR-GFCCVEGCSA-N 462.993 6.587 50 10 JKGE Cc1ccc(C[C@@H]2S/C(=C(\C#N)C(=O)Nc3ccc(C)cc3)N(c3ccc(Cl)cc3)C2=O)cc1 1790580 SMWCKOIIQANTRS-BSSRNLCFSA-N 488.012 6.022 50 10 JKGE O=C(N/N=C/c1cccc(Oc2ccccc2)c1)c1ccc(NC(=O)c2ccc(Cl)cc2)cc1 27520094 NLXRCZUQUWNZMO-RDRPBHBLSA-N 469.928 6.149 50 10 JKGE COc1ccccc1/C(C#N)=C\c1ccc(OC(=O)CCCOc2ccc(Cl)cc2Cl)cc1 31900727 DPSZXLCENHMQTB-CYVLTUHYSA-N 482.363 6.831 50 10 JKGE N#C/C(=C/c1cc(Br)ccc1OCc1ccc([N+](=O)[O-])cc1)C(=O)NC1CCCCC1 33929259 LBKMNHAXDKJGGH-PDGQHHTCSA-N 484.350 5.292 50 10 JKGE CCCOc1ccc(/C=C2/C(=O)N(Cc3ccccc3Cl)C(=O)C(C#N)=C2C)cc1OCC 38608779 CLWSIRPWGPOCPB-DEDYPNTBSA-N 464.949 5.320 50 10 JKGE COc1cc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4ccccc4C)ccc32)ccc1OCCC(C)C 38660327 NJOCKCGRRYQSKH-MUUNZHRXSA-N 498.579 5.866 50 10 JKGE CCOc1ccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)[C@@H](C)Oc4ccc(C(C)C)cc4)ccc32)cc1 38685933 SLRPGMOGXGPFLV-GDJIYFAZSA-N 498.579 5.800 50 10 JKGE CCCCOc1ccc(NC(=O)c2oc3c(c2C)/C(=N/NC(=O)c2cccc(C)c2)CCC3)cc1 40811363 ZRSWLKMVULVHOF-JJKYIXSRSA-N 473.573 5.798 50 10 JKGE Cc1cccc(C(=O)N/N=C2\CCCc3oc(C(=O)Nc4ccc(Br)cc4)c(C)c32)c1 40811391 QFBPLZWZPGCISE-ZXVVBBHZSA-N 480.362 5.382 50 10 JKGE CCOc1ccc2ccccc2c1/C=N/NC(=O)COc1cc(C)c(Cl)c(C)c1Br 40950785 QJVUFNPTBNCTHJ-RPPGKUMJSA-N 489.797 5.800 50 10 JKGE COc1cc(/C=C(/C#N)c2nc3cc(C)c(C)cc3[nH]2)ccc1OCC(=O)Nc1cc(C)ccc1F 50568420 RPMHQCAYKVRFLQ-NDENLUEZSA-N 484.531 5.718 50 10 JKGE COc1cc(/C=C(/C#N)C(=O)Nc2c(C)cccc2C)cc(Cl)c1OCc1ccc(C)cc1 96401943 UFFNSOSBKRNVTE-UUYOSTAYSA-N 460.961 6.399 50 10 JKGE O=C(Nc1ccc(N(CCCl)CCCl)cc1)c1ccc(Nc2ccnc3ccccc23)cc1 100099000 SIXDFBDGIXDONG-UHFFFAOYSA-N 479.411 6.515 50 10 JKGE CCCCCCCCCCCCCCCCNc1ncnc(NNC(=O)c2ccccc2F)c1N 101531817 KOLPJBLVGFGYSL-UHFFFAOYSA-N 486.680 6.848 50 10 JKGE COc1cccc(-c2csc(/C(C#N)=C\Nc3ccccc3OC(F)(F)[C@H](F)Cl)n2)c1 102420553 DEEZYFLQQYEFEK-QKQONQEDSA-N 465.884 6.301 50 10 JKGE COc1cc(/C=C(\C#N)c2nc3cc(C)ccc3[nH]2)ccc1OCC(=O)Nc1ccc(C)cc1 108062024 BBPHQZQUHGEADZ-DEDYPNTBSA-N 452.514 5.270 50 10 JKGE COc1ccc([C@H](Br)c2ccc(I)cc2)c2ccccc12 109838647 FSZRXPYXLFISOP-GOSISDBHSA-N 453.117 5.937 50 10 JKGE BrCCCCCCCCCCCOC(c1ccccc1)(c1ccccc1)c1ccccc1 196754803 BIJYQRLGVDTEJP-UHFFFAOYSA-N 493.529 8.901 50 10 JKGE CC[C@H](/C=C/I)O[Si](c1ccccc1)(c1ccccc1)C(C)(C)C 211698777 XUFPDLVTILYPPU-IECKCJDVSA-N 450.436 5.290 50 10 JKGE CCN1C(=O)C(C#N)=C(C)/C(=C/c2cn(-c3ccccc3)nc2-c2ccc(OCC(C)C)c(C)c2)C1=O 214209793 SZWMZMJNPYOWSW-MYYYXRDXSA-N 494.595 5.495 50 10 JKGE Brc1cc(Br)cc([C@@H](Br)c2ccc3c(c2)CCCO3)c1 232484668 IQOHWUZNLDSTDJ-INIZCTEOSA-N 460.991 6.021 50 10 JKGE COc1ccc([C@H](Cl)c2cc(Br)sc2Br)c(Br)c1 234991398 JSYCFTCTMJIUBP-NSHDSACASA-N 475.427 6.372 50 10 JKGE Clc1cc([C@@H](Cl)c2cc(I)ccc2Br)c(Cl)s1 236032410 NELKKMCEHNCSGX-JTQLQIEISA-N 482.395 6.750 50 10 JKGE CC[C@]1(C)[C@H](Br)C[C@H]1Oc1cc(Br)c(OC)cc1Br 252595208 HFQYJQIOTGLLGN-MGPQQGTHSA-N 457.000 5.551 50 10 JKGE COC(=O)c1ccc(-c2ccc(C=NNC(=O)c3cc4c(ccc5ccccc54)o3)o2)cc1Cl 252621184 MURNBUXHBVSJMW-UHFFFAOYSA-N 472.884 6.050 50 10 JKGE Cc1ccc(-c2nnc(SCC=NNC(=O)c3ccccc3)nc2-c2ccc(C)cc2)cc1 254408357 ZKEVNXCLGPSELQ-UHFFFAOYSA-N 453.571 5.330 50 10 JKGE O=C(Cc1ccccc1)NN=Cc1ccc(OCc2ccccc2)c(OCc2ccccc2)c1 254736913 TVDZBWXGVFNLDN-UHFFFAOYSA-N 450.538 5.537 50 10 JKGE Cl[C@@H](c1ccccc1OCc1ccccc1)c1cc(Br)sc1Br 309964728 KDNUMAHVZQHJTL-KRWDZBQOSA-N 472.629 7.180 50 10 JKGE Fc1cccc(Br)c1[C@H](Br)c1scc(C(F)(F)F)c1Br 312357936 JNUHWXXCVYMYOY-JTQLQIEISA-N 496.943 6.915 50 10 JKGE Brc1cc([C@H](Br)c2cc3cscc3s2)c(Br)s1 703678280 OFUIBVQOHOJPDU-JTQLQIEISA-N 473.074 7.034 50 10 JKGE Cc1ccc(C[C@@H](Br)c2scc(Br)c2Br)cc1C 707791475 SDPSSGZEFPGQCL-LLVKDONJSA-N 453.037 6.569 50 10 JKGE C[C@H](Cl)c1nc2cc(I)ccc2n1Cc1ncc(Br)s1 714928033 UMUYOKFPTGUZQR-ZETCQYMHSA-N 482.572 5.208 50 10 JKGE C[C@H]1Cc2cc(Br)cc([C@@H](Br)c3ccc(Br)cc3)c2O1 720055923 YPTWMTKFGNZAOX-VFZGTOFNSA-N 460.991 6.019 50 10 JKGE Cc1ccccc1NC(=O)/C(C#N)=C\c1cc(Br)ccc1OCc1cccc(F)c1 1084013363 XGTATBWMXJWXCD-UNOMPAQXSA-N 465.322 6.021 50 10 JKGE O=C(CC[C@H](O)c1ccccc1)NN=Cc1cc(Cl)c(OCc2ccccc2)c(Cl)c1 1084464342 GQFSDCKCASMXML-QFIPXVFZSA-N 457.357 5.536 50 10 JKGE Cc1ccc(C(=O)NN=C2CCCc3oc(C(=O)N4c5ccc(F)cc5CC[C@H]4C)c(C)c32)cc1 1772744237 AKXHTCQDDIPEHX-QGZVFWFLSA-N 473.548 5.487 50 10 JKGE CCCc1nn(-c2ccccn2)c2c1[C@@H](c1ccc(OCc3ccc(Cl)cc3)cc1)C(C#N)=C(N)O2 1865694783 BIKCYBIURJDKHH-VWLOTQADSA-N 497.986 5.670 50 10 JKGE CCOc1ccc([C@@H]2C(C#N)=C(N)Oc3c2c(-c2ccc(OC)cc2)nn3-c2ccccc2)cc1OC 1865695410 OJWCZMHRDNPBBD-RUZDIDTESA-N 494.551 5.173 50 10 JKGE N#CC1=C(N)Oc2c(c(-c3ccccc3)nn2Cc2cccc(Cl)c2)[C@H]1c1ccc2c(c1)OCCO2 1865697870 DJFORBQUTNCVEB-DEOSSOPVSA-N 496.954 5.241 50 10 JKGE CCCc1nn(-c2ccc(Cl)c(Cl)c2)c2c1[C@H](c1ccccc1OC(C)C)C(C#N)=C(N)O2 1865705492 WZKJFWVSHPIANP-JOCHJYFZSA-N 483.399 6.137 50 10 JKGE CCC[C@H](NC(=O)CCc1nc(-c2ccc(OC)cc2)cs1)C(=O)Nc1ccc(SC#N)cc1 1867071574 YGVCSUBFGFESPR-NRFANRHFSA-N 494.642 5.248 50 10 JKGE Cc1ccccc1-c1nc(Nc2ccc(SC#N)cc2)cc(N2CCO[C@@H](c3ccccc3)C2)n1 1868301827 ZRFSZPHWQMDSJD-RUZDIDTESA-N 479.609 6.347 50 10 JKGE Cc1ccc(-c2csc(/C(C#N)=C(\O)CN3C(=O)c4ccc(Br)cc4C3=O)n2)c(C)c1 1872748692 JEDYLDYELCNZSZ-ZZEZOPTASA-N 494.370 5.278 50 10 JKGE N#C/C(=C(/O)CCCOc1ccccc1Cl)c1nc(-c2ccc(Cl)c(Cl)c2)cs1 1872749336 MPHASDNBOOTPIG-RGEXLXHISA-N 465.789 7.422 50 10 JKGE CCOc1ccc(/C=C/C(O)=C(\C#N)c2nc(-c3ccc(C(C)(C)C)cc3)cs2)cc1OC 1872750851 MUYQSMPHLNSHSW-IYVRXWTMSA-N 460.599 7.021 50 10 JKGE CCOc1ccc(CC/C(O)=C(\C#N)c2nc(-c3cc(C(C)(C)C)ccc3OC)cs2)cc1OC 1872751653 QWGBWHROYONAMN-LNVKXUELSA-N 492.641 6.949 50 10 JKGE COc1cc(/C=C(\C#N)c2nc(-c3cc(Cl)cc(Cl)c3OC)cs2)ccc1OC(C)C 1872792855 UZXKNHKBLBWATF-VIZOYTHASA-N 475.397 6.985 50 10 JKGE COc1cc(C)c(-c2csc(/C(C#N)=C/c3cc4c(cc3[N+](=O)[O-])OCCO4)n2)cc1C(C)C 1872793411 YONBKDJNWGPXKU-CAOOACKPSA-N 477.542 5.994 50 10 JKGE CC(C)(C)OC(=O)NCCCCCC(=O)N/N=C/c1ccccc1OCc1ccccc1Cl 1873795544 PLSMECLJMANAAL-OGLMXYFKSA-N 474.001 5.454 50 10 JKGE CCc1cc(Br)c([C@H](Br)c2c(Br)c(CC)nn2C)s1 1877185599 HBVVQJYFSKHNLE-LLVKDONJSA-N 471.056 5.616 50 10 JKGE C[C@H](CCBr)N(Cc1ccccc1)C(=O)Cc1ccc(Br)cc1F 1915096518 JYMNCYHBWNRTSQ-CQSZACIVSA-N 457.181 5.333 50 10 JKGE O=C(c1cc(Br)sc1Br)N(Cc1ccccc1)[C@@H](CCl)C1CC1 1915207320 GVZBAZPGJYACNB-AWEZNQCLSA-N 477.649 5.933 50 10 JKGE CCCCC1CCC([C@H](Br)c2sc(Br)c(C)c2Br)CC1 1922881410 CUUMDOZAIXAPBX-YIZWMMSDSA-N 487.139 8.014 50 10 JKGE Clc1c(Br)sc(Br)c1[C@@H](Br)[C@H]1CCCOC1 1923067642 GSVPUBWRHGZRSI-FSPLSTOPSA-N 453.421 5.789 50 10 JKGE Clc1c(Br)sc(Br)c1[C@H](Br)[C@@H]1C[C@H]2CCCC[C@@H]21 1923068111 NDCFTOOKZUSZTB-IBCQBUCCSA-N 477.487 7.189 50 10 JKGE CC(C)(C)CC[C@H](Br)c1c(Br)sc(Br)c1Br 1924580811 UXCZFDKPKNFIIE-LURJTMIESA-N 497.916 7.298 50 10 JKGE CC[C@H](C(C)C)[C@@H](Cl)c1c(Br)sc(Br)c1Br 1924613902 LURQKDHKXWEWDC-HZGVNTEJSA-N 453.465 6.998 50 10 JKGE Clc1ccsc1[C@H](Br)c1csc(Br)c1Br 1930627577 DABPSCYAFBAJGC-ZCFIWIBFSA-N 451.430 6.472 50 10 JKGE O=S(=O)(c1cc(CBr)oc1Br)N(Cc1ccccc1)CC1CCCC1 2059264591 HVDCWUNHQJNANI-UHFFFAOYSA-N 491.245 5.318 50 10 JKGE Fc1cc(Br)cc(CBr)c1OCc1csc(Br)c1 2084089356 GHUSAIXXJVNRLA-UHFFFAOYSA-N 458.972 5.886 50 10 JKGE COc1c(C)cc(Br)cc1[C@@H](Br)c1cc(Br)sn1 2085643132 SSIQKFYGSYJQDI-LLVKDONJSA-N 455.997 5.469 50 10 JKGE CN(C(=O)c1cc(Br)c(Br)s1)C1(CBr)CCCCC1 2113815494 GWVYBVIQDYUTMN-UHFFFAOYSA-N 474.056 5.443 50 10 JKGE CC1(C)CC[C@@H](Br)[C@@H](Cc2cc(Br)ccc2Br)CC1 2122944647 MQICNZWRUBMWGH-IAQYHMDHSA-N 453.056 6.734 50 10 JKGE Cc1cc(Br)c([C@H](Br)[C@H]2C[C@@H]3CC[C@H](C2)O3)cc1Br 2124951863 IJCJPZKNSUQSFI-YYHMBLRTSA-N 453.012 5.914 50 10 JKGE BrCc1cc(Br)c(OC[C@H]2C[C@H]2C2CCC2)c(Br)c1 2135244299 DUIBFGBLIIXGNS-NEPJUHHUSA-N 453.012 5.922 50 10 JKGE Cc1cc(Br)c(C)c([C@@H](Br)[C@H]2C(F)(F)C23CC3)c1Br 2136374304 KUCQXAXCTMYSLL-VXGBXAGGSA-N 458.966 6.310 50 10 JKGE Cc1c(Br)ccc([C@H](Br)[C@H](CC(C)C)C(C)C)c1Br 2138860759 FPJDBERJHLUWPO-CJNGLKHVSA-N 455.072 7.274 50 10 JKGE CCN(C[C@](C)(CI)OC1CC2(C1)CC1(CCC1)C2)C(=O)OC(C)(C)C 2140249642 IJRBDTKZTPLWLQ-IBGZPJMESA-N 477.427 5.567 50 10 JKGE COCC12CC([C@@H](Br)c3c(Cl)sc(Br)c3Cl)(CO1)C2 2141168469 ZGAZHZFQVOEWRP-RKWZHAFESA-N 451.007 5.449 50 10 JKGE CC(C)(C)[C@H]1[C@H](Br)CCN1Cc1ccc(I)c(Cl)c1 2142942035 ADRJNTHNTQTCGI-BXUZGUMPSA-N 456.593 5.329 50 10 JKGE Cc1cc(COc2c(Br)cc(Br)cc2CBr)ccc1Cl 2145588813 AYFJXCJBNIJTSJ-UHFFFAOYSA-N 483.425 6.647 50 10 JKGE O=[N+]([O-])c1cc(Br)c(Oc2cc(CBr)ccn2)c(Br)c1 2154843727 DMNNBBXXCWGBFR-UHFFFAOYSA-N 466.911 5.202 50 10 JKGE Cc1cc([C@@H](Br)c2cc(Cl)c(C)c(Br)c2)c(C)cc1Br 2167388454 SIUXYDHEZAZBGR-INIZCTEOSA-N 481.453 7.275 50 10 JKGE CN(CC[C@@H](Br)c1ccccc1)c1ncc(Br)cc1Br 2168108338 FHDKRHFMUHCTAM-CYBMUJFWSA-N 463.011 5.569 50 10 JKGE Cc1nn(C)c([C@@H](Br)c2scc(C(F)(F)F)c2Br)c1Br 2192371871 BLUNHTRVGJETJD-MRVPVSSYSA-N 496.972 5.818 50 10 JKGE Cc1cc(Br)c(C)c([C@@H](Br)C2(C(F)(F)F)CCC2)c1Br 2201063204 CECZCIIQFFYPHO-GFCCVEGCSA-N 478.972 6.997 50 10 JKGE Cc1cc(Br)c(C)c([C@@H](Br)[C@H]2CCCCC2(C)C)c1Br 2201073409 ZZIIBWJAZDKVGE-WBMJQRKESA-N 467.083 7.481 50 10 JKGE CCn1cc(Br)c([C@H](Br)c2cc(Br)cc(C)c2OC)n1 2206604582 MWOLLWWCVUSZBH-GFCCVEGCSA-N 466.999 5.229 50 10 JKGE Cc1cc(Br)c(C(=O)N(Cc2ccccc2)C2(CBr)CCC2)s1 2211916042 AMJRRMFQJDBYBY-UHFFFAOYSA-N 457.231 5.779 50 10 JKGE Cc1csc([C@@H](Cl)c2c(Br)sc(Br)c2Br)c1C 2213652969 BGOMUNYZBZMOQF-QMMMGPOBSA-N 479.484 7.042 50 10 JKGE Clc1cc(Br)ccc1C[C@H](Br)c1cc(Br)c(Cl)s1 2221700404 RVPLDWSBELVPOD-QMMMGPOBSA-N 493.873 7.259 50 10 JKGE O=S1(=O)CCC[C@H]1[C@H](Br)c1c(Br)cc(Cl)c(Cl)c1Cl 2224313444 TZUASLMSOOTEAY-CBAPKCEASA-N 471.425 5.423 50 10 JKGE Cc1csc([C@@H](Cl)c2c(Br)cc(C)c(Br)c2C)c1Br 2227346264 CJFUPQNRRGLONF-ZDUSSCGKSA-N 487.482 7.289 50 10 JKGE Cc1ccc([C@H](Cl)c2cc3c(cc2Br)OCC3)cc1I 2232832646 FIJDJOSYEVTQRE-INIZCTEOSA-N 463.540 5.625 50 10 JKGE Cc1cc2sc([C@H](Br)c3cc(Br)c(Br)cc3F)cc2s1 2233976972 ROBPLXFZLHYYLA-CQSZACIVSA-N 499.062 7.420 50 10 JKGE COc1cc(Br)c([C@@H](Br)c2cc(Br)ccc2Cl)cc1C 2236011080 RVDUOYZPLUAUPY-OAHLLOKOSA-N 483.425 6.666 50 10 JKGE Cc1cc([C@@H](Br)Cc2ccc(Br)cc2Cl)cc(C)c1Br 2237449839 AVOVIUBYGBMWPL-AWEZNQCLSA-N 481.453 7.161 50 10 JKGE Cc1ccc([C@H](C)[C@@H](Br)c2ccc(Br)c(C)c2Br)cc1 2240825961 ZHXOLVKNENXFMQ-MEDUHNTESA-N 461.035 7.068 50 10 JKGE Cc1sc([C@H](Br)c2cc(I)sn2)c(Br)c1C 2242649311 URPCBBJKKSGDDG-SECBINFHSA-N 493.027 5.673 50 10 JKGE Clc1c(Br)csc1[C@H](Cl)c1cc(Br)c(Br)s1 2242670554 HFHODGBXZOQZFQ-SSDOTTSWSA-N 485.875 7.079 50 10 JKGE Cl[C@@H](Cc1cc(Br)cc(Br)c1)c1csnc1Br 2252830817 IPUIREGQGSAZAA-JTQLQIEISA-N 460.416 5.953 50 10 JKGE CCc1cc(Br)c([C@H](Br)c2cc(Br)c(F)cc2Cl)s1 2270435010 SJIXKUFCKRITGT-GFCCVEGCSA-N 491.445 7.112 50 10 JKGE Cc1oc(C)c([C@@H](Br)Cc2cc(Br)cc(Br)c2)c1C 2277963048 PAQQCSAREINNJS-AWEZNQCLSA-N 450.996 6.409 50 10 JKGE COc1ccc([C@H](Br)[C@H]2CC(C)(C)OC2(C)C)cc1I 2285010511 QZZLZQKBHKHWQU-RISCZKNCSA-N 453.158 5.330 50 10 JKGE Fc1cc(Br)c(F)c(Br)c1[C@H](Br)[C@H]1C[C@]12CCCOC2 2288489057 OYGWUMGPGCUSPZ-NRBYFXAUSA-N 474.965 5.743 50 10 JKGE COc1cc(C=C(C#N)C(=O)Nc2ccc(C)cc2C)ccc1OCc1ccc(C(=O)O)cc1 2294175299 WOZYBUKHXOPTNY-UHFFFAOYSA-N 456.498 5.135 50 10 JKGE COc1c(Br)cc(Cl)c(C)c1[C@H](Cl)c1ccccc1OCc1ccccc1 2295372857 MOVYAZBKMFZNST-OAQYLSRUSA-N 466.202 7.327 50 10 JKGE COc1ccc(C=C(C#N)C(=O)Nc2ccccc2F)cc1OC(=O)c1cccc2ccccc12 2295459757 VHFAJFFKPPDMLK-UHFFFAOYSA-N 466.468 5.752 50 10 JKGE COc1cc(Br)ccc1[C@H](Cl)c1cc2sc(Br)cc2s1 2295502596 BMGXHQMZXAERGM-AWEZNQCLSA-N 452.620 6.825 50 10 JKGE CCCCN1C(=O)C(=Cc2cn(-c3ccccc3)nc2-c2ccc(OC)cc2C)C(C)=C(C#N)C1=O 2295838619 SLIAWYMCOWHQOC-UHFFFAOYSA-N 480.568 5.249 50 10 JKGE Cc1ccc(NC(=O)C(C#N)=C2S[C@H](Cc3ccc(F)cc3)C(=O)N2c2ccccc2)cc1 2296834359 BFEZNVQGIZRJFL-HSZRJFAPSA-N 457.530 5.199 50 10 JKGE COc1cc(C=C(C#N)C(=O)Nc2ccc(Cl)cc2[N+](=O)[O-])ccc1OCc1ccccc1 2297551586 SNFYOWFTDMVCIC-UHFFFAOYSA-N 463.877 5.381 50 10 JKGE N[C@H](c1c(Cl)cc(Br)c(F)c1Br)[C@H]1C[C@@H](Br)C1 2300182523 GUNCYNDKNGTRPW-XOGFGSHOSA-N 450.371 5.177 50 10 JKGE Clc1c(Br)sc(Br)c1[C@@H](Br)[C@@H]1OC[C@@H]2CCC[C@@H]21 2312254533 WRLVLMBWSAOLFV-VBOXYBSHSA-N 479.459 6.178 50 10 JKGE Cc1ccc(NC(=O)C(C#N)=Cc2ccc(OCc3ccc(Br)cc3)cc2)cc1C 2313511098 NUGLGIQPKGJJTB-UHFFFAOYSA-N 461.359 6.191 50 10 JKGE Cc1cccc(NC(=O)C(C#N)=Cc2cc(Br)ccc2OCc2ccccc2Cl)c1 2313541141 VXTQZYKSVQXVFY-UHFFFAOYSA-N 481.777 6.536 50 10 JKGE CC(C)=CCCC(C)=CC=NNC(=O)COc1c(C)cc(Br)cc1Br 2313574197 FFJQMRAXEJLJCZ-UHFFFAOYSA-N 472.221 5.694 50 10 JKGE Brc1cc(OCc2ccccc2)ccc1[C@H](Br)C[C@H]1CCCC12CC2 2314442712 GPGCKJHRCSEQTP-YLJYHZDGSA-N 464.241 7.435 50 10 JKGE COc1ccc(-c2nn(-c3ccccc3)cc2C=C(C#N)C(=O)Nc2ccc([N+](=O)[O-])cc2)cc1 2314485951 ABAVBJHDNDJHMI-UHFFFAOYSA-N 465.469 5.002 50 10 JKGE COCc1ccc([C@@H](Cl)c2ccc(I)c(Br)c2)s1 2315097277 JIJXQFWVSWCKSK-ZDUSSCGKSA-N 457.558 5.590 50 10 JKGE C[C@@H](Br)[C@H]1CCCCN1Cc1ccc(I)c(Br)c1 2325214583 PUDBHJMUUHFVOU-QMTHXVAHSA-N 487.017 5.192 50 10 JKGE COc1cc(C=C(C#N)c2nc3ccccc3s2)ccc1OCc1ccc(Cl)cc1Cl 2331025592 UGVYJQOMNPIABE-UHFFFAOYSA-N 467.377 7.255 50 10 JKGE N#CC(=C(O)CCCN1C(=O)c2ccccc2C1=O)c1nc(-c2cccc(Br)c2)cs1 2331279329 KFSXMKPAMGXFJY-UHFFFAOYSA-N 494.370 5.442 50 10 JKGE CC(C)C[C@H](C(O)=C(C#N)c1nc(-c2ccc([N+](=O)[O-])cc2)cs1)N1C(=O)c2ccccc2C1=O 2331281138 KUVHSKYRUUFRNN-OAQYLSRUSA-N 488.525 5.222 50 10 JKGE CCCCCCCOc1ccc(-c2csc(C(C#N)=C(O)Cc3cc(C)ccc3C)n2)cc1 2331344914 YNQCKQDFBLNQAX-UHFFFAOYSA-N 460.643 7.812 50 10 JKGE COc1cc(OC)c(-c2csc(C(C#N)=C(O)c3cc(OC)c(OC)c(OC)c3)n2)cc1Cl 2331377487 DDCZCTNICGJNRQ-UHFFFAOYSA-N 488.949 5.456 50 10 JKGE COc1ccc(-c2csc(C(C#N)=C(O)c3c(Cl)ccc(Cl)c3Cl)n2)c(OC)c1 2331386711 DLKJHNROCPVVIX-UHFFFAOYSA-N 467.761 6.737 50 10 JKGE COc1ccc(-c2csc(C(C#N)=C(O)c3ccc(-c4ccccc4)cc3)n2)c(OC)c1OC 2331412493 BWZODYKLBCYDBP-UHFFFAOYSA-N 470.550 6.453 50 10 JKGE CCCOc1c(Br)cc(C=C(C#N)c2nc(-c3ccc(F)c(C)c3)cs2)cc1OC 2331447334 HCAWJAUOQDAXJQ-UHFFFAOYSA-N 487.394 6.882 50 10 JKGE Cc1cc([C@@H](Br)c2c(Br)c(Br)nn2C)c(C)cc1F 2338861285 QNJRURANXFFCAG-SNVBAGLBSA-N 454.963 5.185 50 10 JKGE Clc1ccc(I)cc1C[C@H]1C[C@@H](Br)CC2(CCC2)C1 2352427323 GOKFUEFRENVHSI-WCQYABFASA-N 453.589 6.221 50 10 JKGE Cc1c(Cl)cccc1[C@H](Br)c1c(F)cc(Cl)c(Br)c1Cl 2360494667 WUQQXEGUHQCGOY-LBPRGKRZSA-N 461.383 7.341 50 10 JKGE CC(C)(CC(F)(F)F)[C@@H](Br)c1c(F)cc(Cl)c(Br)c1Cl 2360502486 SMKWDXTZPWFZIM-JTQLQIEISA-N 460.918 7.310 50 10 JKGE FCCOc1ccccc1[C@H](Br)c1ccc(OCc2ccccc2)cc1Br 2361200762 MLFBDYTWDGTKNQ-JOCHJYFZSA-N 494.198 6.861 50 10 JKGE Fc1c(Br)cc(Cl)c([C@H](Cl)C(F)(F)[C@H]2CCOC2)c1Br 2362221970 BRUKYWOWGFATGJ-DYEAUMGKSA-N 456.911 5.956 50 10 JKGE FC(F)(F)C12CC([C@@H](Cl)c3c(Br)sc(Br)c3Cl)(CO1)C2 2363912292 DTYBZYASOBSRAA-OUBRSPPYSA-N 474.951 6.318 50 10 JKGE CCOc1ccc([C@H](Br)c2c(F)cccc2I)c(F)c1 2367473587 CCBPANCWFDTFEN-HNNXBMFYSA-N 453.064 5.452 50 10 JKGE CC(C)n1ncc(Br)c1CC(CBr)(CBr)C1CCCC1 2368171854 NJBRXNNTZSBMDT-UHFFFAOYSA-N 471.075 5.735 50 10 JKGE Cl[C@@H]1CC[C@H]2CCN(Cc3ccc(I)c(Br)c3)C[C@@H]2C1 2377352910 DSCMLUJLFWGFGX-MELADBBJSA-N 468.604 5.283 50 10 JKGE Cc1ccc(CCl)c(OCc2cc(Br)ccc2Br)c1Br 2380669862 NZLOTCZTIIAOLL-UHFFFAOYSA-N 483.425 6.600 50 10 JKGE COc1ccccc1CN(C(=O)CCl)[C@H](C(=O)NC1CCCCC1)c1ccc(Cl)cc1 3035246 NDDWPHIDXUPBQQ-QHCPKHFHSA-N 463.405 5.106 50 10 JKGE N#CC1=C2N=C(N)c3ccccc3N2C2=C(C(=O)C[C@@H](c3ccccc3)C2)[C@H]1c1ccc(F)cc1 3654432 MFDUIKSPWTXOSK-SIBVEZHUSA-N 460.512 5.284 50 10 JKGE CCCCOc1ccc(Br)cc1C(=O)NNC(=O)c1sc2ccccc2c1Cl 14649772 PTUPDVYDIVLAOC-UHFFFAOYSA-N 481.799 5.571 50 10 JKGE C/C(=N/NC(=O)COc1ccc2cc(Br)ccc2c1Br)c1ccccc1 33467197 RYRPFHPEMXZYFE-QRVIBDJDSA-N 476.168 5.284 50 10 JKGE N#C/C(=C\c1c(OCc2ccc(Cl)cc2)ccc2ccccc12)C(=O)Nc1ccc(F)cc1 33694032 VKXNEZRYEUUNFB-HMMYKYKNSA-N 456.904 6.757 50 10 JKGE N#C/C(=C/c1ccc(-c2ccccc2)o1)c1nc(-c2cc3c(ccc4ccccc43)oc2=O)cs1 35518099 DLNVWMOJTJWZDJ-ZHZULCJRSA-N 472.525 7.394 50 10 JKGE Cc1cc(Cl)ccc1OCC(=O)Oc1ccc2c(c1)OC(N)=C(C#N)[C@H]2c1ccccc1Cl 38651076 QBUQIUPAKQVVCZ-DEOSSOPVSA-N 481.335 5.504 50 10 JKGE C[C@H](Oc1ccc(F)cc1)C(=O)Oc1ccc2c(c1)OC(N)=C(C#N)[C@H]2c1ccc(Cl)c(Cl)c1 38655921 RYKCTKMTXWJYRF-NPMABZOXSA-N 499.325 5.724 50 10 JKGE N#C/C(=C\c1ccc(-c2cccc(C(F)(F)F)c2)o1)C(=O)Nc1ccccc1C(F)(F)F 39884743 AEHNEXLUDOCMMU-SDNWHVSQSA-N 450.338 6.530 50 10 JKGE Cc1ccc(NC(=O)c2oc3c(c2C)/C(=N/NC(=O)c2cccc(Cl)c2)CCC3)cc1Cl 40813305 WQOFPUQFCVALFK-TURZUDJPSA-N 470.356 5.926 50 10 JKGE COc1ccc(C(=O)N/N=C2\CCCc3oc(C(=O)Nc4ccc(C(C)C)cc4)c(C)c32)cc1 40813828 ORRDKMSCSXTFOO-QUPMIFSKSA-N 459.546 5.443 50 10 JKGE Cc1c(C(=O)Oc2ccc(Cl)cc2Cl)oc2c1/C(=N/NC(=O)c1cccs1)CCC2 40823753 DCYPYIKHYNDJRY-ZVHZXABRSA-N 463.342 5.646 50 10 JKGE Cc1ccc(COc2ccc(/C=N/NC(=O)CSc3nnc(-c4ccccc4)s3)cc2)cc1 40947796 INQACHMXDMLZDZ-CVKSISIWSA-N 474.611 5.335 50 10 JKGE CC(C)(C)c1ccc(OCCCC(=O)N/N=C/c2ccc(Br)cc2)c(Br)c1 40951328 JMSHSNMKSUZWCV-ZVHZXABRSA-N 496.243 5.818 50 10 JKGE CCOc1ccc([C@H](O)CCC(=O)N/N=C\c2cn(Cc3ccc(Cl)cc3)c3ccccc23)cc1 58894706 JAFHVPKPXHGROS-XAEFBWORSA-N 490.003 5.706 50 10 JKGE N#C/C(=C\c1ccccc1OCc1ccc(Cl)cc1)C(=O)N1CCN(c2ccccc2)CC1 59676568 VSPDPODQXALHBW-PTGBLXJZSA-N 457.961 5.175 50 10 JKGE O=C(N/N=C/c1ccccc1OCc1ccc(I)cc1)c1cc2ccccc2o1 59680410 JVIUKYNXMPKBEG-AFUMVMLFSA-N 496.304 5.380 50 10 JKGE CCCCCCCCCCCCCCCCOC(=O)/C(C#N)=C/c1ccc(-c2ccccc2)o1 101007967 UHYHHEDORCXDSA-SOYKGTTHSA-N 463.662 8.878 50 10 JKGE COc1ccc(CN2C(=O)C(C#N)=C(C)/C(=C\c3ccc(-c4cccc(Cl)c4)o3)C2=O)cc1 101339991 MSDAALBPWCGJLC-LPYMAVHISA-N 458.901 5.401 50 10 JKGE CCCOc1ccc(-c2nn(-c3ccccc3)cc2/C=C(/C#N)C(=O)Nc2ccc(C)cc2)cc1C 102859266 YZYILCYTVGNJSV-MOHJPFBDSA-N 476.580 6.491 50 10 JKGE CCc1cccc(CC)c1N/C(SCc1cccc(F)c1)=C(\C#N)S(=O)(=O)c1ccccc1 104689237 LNJDPNUEXAAGFA-LCUIJRPUSA-N 480.630 6.462 50 10 JKGE COc1ccc([C@@H](Br)c2cc(F)ccc2Br)cc1Br 109833855 HRZCQNMQFPXQQH-CQSZACIVSA-N 452.943 5.844 50 10 JKGE BrCc1ccc(OCc2ccc(I)cc2)c(Br)c1 115098515 QJAJUFYQRUWEPS-UHFFFAOYSA-N 481.953 5.528 50 10 JKGE Cc1ccc(C(CBr)(CBr)Cc2ccccc2Br)cc1 118876802 GLRJQHGESWBRQL-UHFFFAOYSA-N 461.035 6.028 50 10 JKGE Clc1cc([C@@H](Cl)c2csc3c(Br)cccc23)ccc1Br 129205215 XFPIEITZPLREAN-CQSZACIVSA-N 451.010 7.408 50 10 JKGE Fc1cccc([C@@H](Br)c2ccc(Br)c3ccccc23)c1Br 156126642 XJLHWPZOONJRST-INIZCTEOSA-N 472.977 6.988 50 10 JKGE FC(F)(F)c1ccc(Br)c([C@@H](Br)c2ccc(Cl)c(Cl)c2)c1 159840921 ORRUWOOFTBSCNB-ZDUSSCGKSA-N 462.918 7.259 50 10 JKGE COCCc1ccc([C@@H](Br)c2cc(Br)ccc2Br)cc1 161080014 KYHSBZCQZQZVJW-MRXNPFEDSA-N 463.007 5.885 50 10 JKGE FC(F)(F)c1cc([C@@H](Cl)c2cc(Br)c(Cl)s2)ccc1Br 227841401 RXTFUHJXUCSUSM-SNVBAGLBSA-N 468.947 7.274 50 10 JKGE CCc1ccc([C@@H](Br)c2cc(Br)ccc2I)cc1 234195140 UQVONLQVQTVMBW-OAHLLOKOSA-N 479.981 6.100 50 10 JKGE Clc1ccc([C@@H](Br)c2cc(Br)ccc2I)cc1 236062013 AMPMYGDMOVKTQK-CYBMUJFWSA-N 486.372 6.191 50 10 JKGE COc1ccccc1-c1cc(C(=O)NN=C/C=C/c2ccccc2[N+](=O)[O-])c2ccccc2n1 252628445 SQIVBEQXVLRKHY-YBGLJJLGSA-N 452.470 5.248 50 10 JKGE Cc1cc([N+](=O)[O-])cc(C)c1OCC(=O)NN=Cc1ccc(-c2cccc(C(F)(F)F)c2)o1 254501696 SMOIYPUIAOKOAF-UHFFFAOYSA-N 461.396 5.020 50 10 JKGE Brc1cc2c(cc1[C@H](Br)c1sccc1Br)CCO2 308413810 JTPGNEALKXTLEC-LBPRGKRZSA-N 452.993 5.692 50 10 JKGE ClCc1nc2cc(Br)ccc2n1-c1cc(I)ccc1Cl 312621959 RCTQETUXNPDYRG-UHFFFAOYSA-N 481.946 5.785 50 10 JKGE COc1c(Br)cc(Cl)cc1[C@H](Br)c1cnn(C)c1Br 381874837 GQSHGXWDYGVVBH-JTQLQIEISA-N 473.390 5.091 50 10 JKGE C[C@H](Cl)c1nc2cc(Br)ccc2n1CCCN(Cc1ccccc1)Cc1ccccc1 390656442 OXPWGKOBFMNHLV-FQEVSTJZSA-N 496.880 7.191 50 10 JKGE C[C@H](Br)C[C@@H]1CCCCCN1Cc1cc(Cl)ccc1I 405198749 DMSUMSUPCAOXQH-WFASDCNBSA-N 470.620 5.863 50 10 JKGE 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 504439907 GSJLBVBYMSNTPZ-FGVJVKGQSA-N 468.977 5.457 50 10 JKGE CN(C(=O)OC(C)(C)C)c1ccccc1[C@H]1Cc2ccccc2N(CCO[Si](C)(C)C(C)(C)C)C1 616588623 KHXCLNWTMPLPKB-QHCPKHFHSA-N 496.768 7.226 50 10 JKGE Fc1ccc([C@H](Br)c2ccc(Br)cc2Br)c(F)c1Cl 689652482 PMAUEHDAXYLNOM-LLVKDONJSA-N 475.352 6.628 50 10 JKGE Cc1cccc([C@@H](Br)c2ccc(F)c(Br)c2F)c1Br 691630181 NWSVBZHODVANFK-GFCCVEGCSA-N 454.934 6.283 50 10 JKGE Fc1c(Br)ccc(C[C@H](CBr)c2cccc(Br)c2)c1F 701002842 KUSVSPKHADLIDS-LLVKDONJSA-N 468.961 6.211 50 10 JKGE C[C@H](Cl)c1nc2cc(F)c(Cl)cc2n1CC1(N(Cc2ccccc2)Cc2ccccc2)COC1 705600132 GZKFNFFEXUBHMK-IBGZPJMESA-N 498.429 6.600 50 10 JKGE FC(F)(F)c1cc([C@@H]2CN(Cc3ccccc3)C[C@H]2CBr)cc(C(F)(F)F)c1 725385319 TUJXBAFTPMHFOL-QAPCUYQASA-N 466.263 6.335 50 10 JKGE C=CCc1cc(C=NNC(=O)CC[C@H](O)c2ccccc2)cc(OCC)c1OCc1cccc(F)c1 725446076 CVJTZTYCPBDNTE-SANMLTNESA-N 490.575 5.496 50 10 JKGE O=C(NN=Cc1ccc(OCc2ccc(Br)cc2)cc1)c1ccc(Br)cc1 1081086703 TUKKLHVHFFCTTC-UHFFFAOYSA-N 488.179 5.555 50 10 JKGE COc1ccc(/C=C(/C#N)C(=O)Nc2cc([N+](=O)[O-])ccc2Cl)cc1OCc1ccc(Cl)cc1 1084213105 RZPQVPARUFIICG-YVLHZVERSA-N 498.322 6.035 50 10 JKGE COc1cc(C=NNC(=O)CC[C@@H](O)c2ccccc2)cc(Br)c1OCc1ccccc1 1084383716 YTLJALQIOMNNRR-JOCHJYFZSA-N 497.389 5.001 50 10 JKGE CCOc1cc(/C=C(/C#N)C(=O)Nc2cccc(Cl)c2Cl)ccc1OC(=O)c1ccc(C)cc1 1084484543 HVMKGLHUEZMGAR-UYRXBGFRSA-N 495.362 6.465 50 10 JKGE COc1cc(C(=O)N=P(c2ccccc2)(c2ccccc2)c2ccccc2)cc(OC)c1OC 1088645127 LKRFPULPDFKYEF-UHFFFAOYSA-N 471.493 5.030 50 10 JKGE CCOc1cc(C=NNC(=O)CSc2nc3ccccc3s2)ccc1OCc1ccccc1F 1772760406 JPNUHJDFKONFCJ-UHFFFAOYSA-N 495.601 5.656 50 10 JKGE O=C(COc1cccnc1NC(=O)Oc1ccc([N+](=O)[O-])cc1F)Nc1cc(Cl)ccc1Cl 1858682135 CBPZBRYZNUOYNK-UHFFFAOYSA-N 495.250 5.064 50 10 JKGE Cn1cccc1[C@@H]1C(C#N)=C(N)Oc2c1c(-c1ccccc1)nn2Cc1ccc(Cl)c(Cl)c1 1865699608 YENJQRSGHPYDCC-NRFANRHFSA-N 476.367 5.462 50 10 JKGE COc1ccc(-c2nn(Cc3ccc(Cl)cc3)c3c2[C@H](c2ccccc2C)C(C#N)=C(N)O3)cc1 1865712627 DCFKDDPLGFGUFV-XMMPIXPASA-N 482.971 5.787 50 10 JKGE CCCC[C@@H](NC(=O)C[C@@H](c1ccccc1)c1cccc(F)c1)C(=O)Nc1ccc(SC#N)cc1 1866774766 CXZYCNOJMVPIFD-IZZNHLLZSA-N 489.616 6.235 50 10 JKGE CC(C)(C)c1csc(/C(C#N)=C(\O)[C@@H](Cc2ccccc2)N2C(=O)c3ccccc3C2=O)n1 1872748780 NHNQPJFMUPYPAW-VZFXBBDVSA-N 457.555 5.141 50 10 JKGE CC[C@H](C)N1C(=O)c2ccc(/C(O)=C(\C#N)c3nc(-c4ccc(OC)c(F)c4)cs3)cc2C1=O 1872752885 XQQRKTJTVWPNEN-ZZUBKFDBSA-N 477.517 5.302 50 10 JKGE COc1ccc(Cl)cc1N1C[C@@H](/C(O)=C(\C#N)c2nc(-c3ccc(C)c(C)c3)cs2)CC1=O 1872756299 HEFHKFURIKAAKH-AOVJEQHFSA-N 479.989 5.935 50 10 JKGE COc1cc(/C=C(\C#N)c2nc(-c3ccccc3Cl)cs2)ccc1OC(=O)c1ccccc1 1872780807 MKHBSDHKOUDRDU-CPNJWEJPSA-N 472.953 6.755 50 10 JKGE CCOc1cc(/C=C(\C#N)c2nc(-c3ccccc3Cl)cs2)cc(Br)c1O 1872780927 PRLHGMCHLPINTE-NTUHNPAUSA-N 461.768 6.394 50 10 JKGE COc1cc(/C=C(\C#N)c2nc(-c3ccc(F)cc3F)cs2)ccc1OCCCc1ccccc1 1872784710 XIPRPOUUOUHVEQ-KGENOOAVSA-N 488.559 7.173 50 10 JKGE COc1cc(Br)c([C@H](Br)c2c(C)nsc2Br)cc1OC 1912981581 FQMHCOIBZDSIDR-LBPRGKRZSA-N 486.023 5.478 50 10 JKGE CC(C)[C@H](CBr)N(Cc1ccccc1)C(=O)c1ccc(Br)c(O)c1 1915298687 WJIURSWPUZIVFR-KRWDZBQOSA-N 455.190 5.217 50 10 JKGE Cc1c(Br)sc([C@@H](Br)c2cscc2Cl)c1Br 1922913504 XETUJLPRBATWMI-QMMMGPOBSA-N 465.457 6.781 50 10 JKGE Cc1c(Br)sc([C@@H](Br)CCOCC(F)F)c1Br 1922939364 HOEJPJSDUMZYNG-LURJTMIESA-N 456.972 5.689 50 10 JKGE CC(C)CC1([C@H](Br)c2sc(Br)cc2Br)CCCC1 1922947148 YXTHZBSQVBUNNV-CYBMUJFWSA-N 459.085 7.316 50 10 JKGE Clc1c(Br)sc(Br)c1[C@H](Br)[C@H]1Cc2ccccc2O1 1923068211 OHWZFYGNCVVTAN-PSASIEDQSA-N 487.438 6.366 50 10 JKGE Cc1cccc([C@H](Br)Cc2ccncc2Br)c1I 1924052849 PCJBTKTVENJMRI-GFCCVEGCSA-N 480.969 5.436 50 10 JKGE C[C@H](C1CC1)[C@@H](Br)c1c(Br)sc(Br)c1Br 1924576256 LYAAHSXOEIXBJC-CLZZGJSISA-N 481.873 6.518 50 10 JKGE Brc1sc(Br)c([C@H](Br)C[C@@H]2CCOC2)c1Br 1924604346 AKYLNPGWFVZESK-NTSWFWBYSA-N 497.872 5.898 50 10 JKGE Cc1scc([C@@H](Cl)c2c(Br)sc(Br)c2Br)c1C 1924604628 FRXFSADSONBRMM-SECBINFHSA-N 479.484 7.042 50 10 JKGE Cl[C@@H](CC(C1CC1)C1CC1)c1c(Br)sc(Br)c1Br 1924605488 RYTODZILYAXJGK-VIFPVBQESA-N 477.487 7.142 50 10 JKGE Clc1cc(Br)c([C@H](Br)c2sccc2I)s1 1933590248 WUFJLYHDZACXSG-ZETCQYMHSA-N 498.430 6.314 50 10 JKGE Fc1cc(Cl)c(Br)cc1[C@@H](Br)c1cc(Br)cs1 2004904827 OVSYDPANODEKCO-LLVKDONJSA-N 463.391 6.550 50 10 JKGE CCN[C@H](c1c(Br)sc(Br)c1Cl)C1CC(Br)C1 2020154748 XVCZVQICRBNGPK-BIFUPNIPSA-N 466.464 5.751 50 10 JKGE C[C@]1([C@H](Cl)c2c(Br)sc(Br)c2Br)CCCCO1 2021893446 LHZZNNZJOVJHDW-LDYMZIIASA-N 467.448 6.275 50 10 JKGE CCc1sc(Br)cc1[C@H](Cl)c1ccc(I)c(Cl)c1 2030222918 RZEKCVMOVYHHOB-CYBMUJFWSA-N 476.004 6.659 50 10 JKGE COc1cc(Br)ccc1[C@@H](Br)c1sc(Cl)cc1Br 2036940294 ZSPUVZQEYFEQFV-LLVKDONJSA-N 475.427 6.419 50 10 JKGE CC1(C)CCC[C@@]1(CBr)NC(=O)c1cc(Br)c(Br)s1 2094147326 VUOLHDBSRYMPHR-ZDUSSCGKSA-N 474.056 5.347 50 10 JKGE FC1(F)CN(Cc2ccccc2)CCCN(c2ccc(Br)cc2CBr)C1 2096469009 VZRYTQRZPDXGGT-UHFFFAOYSA-N 488.214 5.692 50 10 JKGE Cc1cc(Br)c(CBr)c(N(C)C[C@H]2CCCN(Cc3ccccc3)C2)c1 2116805726 KWKXYBPSAXRGEJ-LJQANCHMSA-N 480.288 6.001 50 10 JKGE Cc1c(Br)sc([C@@H](Br)[C@H]2C[C@@H]2c2ccccc2)c1Br 2135287980 ZUPOLNJRCFLFTF-MDZLAQPJSA-N 465.048 6.821 50 10 JKGE COc1cc(Cl)c([C@@H](Br)c2scc(Cl)c2Cl)cc1Br 2137654369 IARZRYKXCWOAJN-SNVBAGLBSA-N 465.421 6.964 50 10 JKGE COc1cc(Cl)c([C@H](Br)c2cc(Cl)c(Cl)s2)cc1Br 2137663606 VEXQSANFGSSFHL-NSHDSACASA-N 465.421 6.964 50 10 JKGE Cc1c(Br)ccc([C@@H](Br)c2cc3sccc3s2)c1Br 2138854583 TXKFNXWSKGAXSE-CQSZACIVSA-N 481.072 7.281 50 10 JKGE Cc1c(F)ccc([C@H](Cl)c2cc(Br)ccc2I)c1C 2138909019 JTQLWDNLALHXCB-HNNXBMFYSA-N 453.520 6.138 50 10 JKGE Fc1cccc(C[C@H](Cl)c2ccc(Br)cc2I)c1F 2142279706 TYFCUQMNXXMWDV-NSHDSACASA-N 457.483 5.855 50 10 JKGE FC1(F)CC[C@H](Br)[C@H](Cc2ccc(I)c(Cl)c2)CC1 2142954101 VIIVEXADDUVMQI-QWRGUYRKSA-N 463.531 6.076 50 10 JKGE COc1cc(F)c([C@@H](Br)c2cccc(Br)c2Br)c(F)c1 2148750655 NBLUYGISVSEIIW-AWEZNQCLSA-N 470.933 5.983 50 10 JKGE Brc1cccc(Br)c1[C@H](Br)c1ccc2c(c1)CCCC2 2150494693 SGMNTPMYTAEPMR-QGZVFWFLSA-N 459.019 6.575 50 10 JKGE ClCc1ccc(Br)c(Cl)c1N1CCO[C@@H]2CCN(Cc3ccccc3)C[C@H]21 2154376729 XZMAPBJZGANCDC-RTBURBONSA-N 470.238 5.321 50 10 JKGE Cc1cc(Br)c([C@@H](Br)[C@@H]2CCn3ccnc3C2)cc1Br 2165269250 XYPXTKJSBPLRPU-BMIGLBTASA-N 463.011 5.415 50 10 JKGE CCCCC[C@H]1CC[C@H]([C@@H](Br)c2cc(Br)sc2Br)CC1 2168771510 DHFATGMDWGOKPD-LALPHHSUSA-N 487.139 8.096 50 10 JKGE CCc1nc([C@H](Br)c2cc(Br)c(F)cc2OC)c(Br)s1 2169487420 FUQZJAACZWAHKK-LLVKDONJSA-N 488.014 5.863 50 10 JKGE C[C@H]1CN(C(=O)c2cc(Br)cc(Br)c2)CC[C@H]1CCBr 2172473001 JHRCJIFVSRPXGZ-WDEREUQCSA-N 468.027 5.095 50 10 JKGE Clc1cc(Br)cnc1C[C@H](CBr)Cc1ccc(Br)cc1 2183589355 BKXFWGMMDAEBMV-LLVKDONJSA-N 482.441 6.056 50 10 JKGE C[C@H](c1cscc1Br)N(C)c1c(CCl)ccc(Br)c1Cl 2186583050 ZBEVOVKRARFWOE-MRVPVSSYSA-N 458.046 6.863 50 10 JKGE Brc1cc(CNC2CC2)cc(Br)c1OC[C@H]1C[C@@H](Br)C1 2196904655 CVGSADJOWTZTGE-PHIMTYICSA-N 468.027 5.016 50 10 JKGE COc1cc(C)c([C@@H](Br)c2ccc(C)cc2Br)cc1Br 2198736451 FCIHHUAXTHNKTC-INIZCTEOSA-N 463.007 6.321 50 10 JKGE CC1(C)C[C@](C)(CBr)CN1C(=O)c1cc(Br)cc(Br)c1 2199540483 QGYPQVKHMOVOAU-OAHLLOKOSA-N 468.027 5.237 50 10 JKGE Cc1cc(Br)c(C)c([C@@H](Br)[C@H]2CCCC(C)(C)C2)c1Br 2201080016 WIVNGZJNCIHDDV-LRDDRELGSA-N 467.083 7.481 50 10 JKGE Cc1ccc(I)c([C@@H](Br)c2sccc2Br)c1 2212721934 BHVRKVLTKYRIJF-LLVKDONJSA-N 471.983 5.908 50 10 JKGE Clc1cc(Br)ccc1C[C@@H](Br)c1sccc1Br 2215854089 NQDHTYWAIKZRGN-SNVBAGLBSA-N 459.428 6.605 50 10 JKGE COc1cc(Br)c([C@H](Cl)c2csc(I)c2)cc1C 2220441873 CZQISNJMKKBHOJ-CYBMUJFWSA-N 457.558 5.760 50 10 JKGE Cc1sc([C@@H](Cl)c2sc(Br)c(C)c2Br)c(Br)c1C 2221838601 SXJWPFYIQXCKLB-SECBINFHSA-N 493.511 7.351 50 10 JKGE Fc1cc(Br)c(Br)cc1[C@@H](Br)[C@H]1C(F)(F)C12CCC2 2225615125 CXPGFWDRXDPDLX-GHMZBOCLSA-N 462.929 6.222 50 10 JKGE Cc1c(Br)csc1[C@@H](Br)c1cc(Br)c2c(c1)CCO2 2226126520 YJOCEMUIEHIYCN-LBPRGKRZSA-N 467.020 6.001 50 10 JKGE Cc1cc(Br)c([C@H](Br)[C@]23CCOC[C@H]2C3)c(C)c1Br 2227359992 NXOGXEFSWXIXAR-ONERCXAPSA-N 453.012 5.691 50 10 JKGE C[C@@H](Cl)c1nc2c(F)cc(Br)cc2n1C1CCN(Cc2ccccc2)CC1 2232916235 ODJOJZAYBPLDOE-CQSZACIVSA-N 450.783 6.075 50 10 JKGE CCC(F)(F)C(C)(C)[C@@H](Br)c1c(Br)cc(C)c(Br)c1C 2235609298 BGBWPDCTOXQCPB-ZDUSSCGKSA-N 477.025 7.336 50 10 JKGE Cc1ccc(I)c([C@@H](Br)c2cc(F)c(F)c(F)c2F)c1 2240997890 VZVHECFEFYAFDC-LLVKDONJSA-N 459.018 5.640 50 10 JKGE Fc1cc(Br)c(F)c(Br)c1[C@@H](Br)C1(Cl)CCC1 2250746883 FDACBPCYCSFDLG-SNVBAGLBSA-N 453.346 6.087 50 10 JKGE CC1([C@H](Br)c2ccc(Br)cc2Br)CC(C(F)(F)F)C1 2264523266 DCWBBXYTNGKZBK-JBGOAQBUSA-N 464.945 6.626 50 10 JKGE COc1ccc([C@H](Cl)c2ccc(Cl)c(I)c2)c(Br)c1 2268282400 YRZGHRGSDBSNID-CQSZACIVSA-N 471.947 6.044 50 10 JKGE COc1c([C@@H](Br)[C@H]2C[C@H](Br)C2)cc(Br)c2c1CCC2 2269170081 BZBKSUMCVYJNID-FZNYLWTLSA-N 453.012 5.556 50 10 JKGE COc1ccc([C@H](Br)c2cc(C)ccc2Cl)cc1I 2269545089 LZNSONRENWLASF-HNNXBMFYSA-N 451.529 5.746 50 10 JKGE COc1ccc([C@@H](Br)c2ccc(Cl)cc2Cl)cc1I 2269557238 SVMFYQTYMBWGRX-CQSZACIVSA-N 471.947 6.091 50 10 JKGE COC1(C[C@@H](Br)Cc2cc(Br)cc(Br)c2)CCCC1 2277955920 LXGQMUPTIAHMDY-AWEZNQCLSA-N 455.028 5.867 50 10 JKGE Brc1cc(Br)cc(C[C@H](Br)[C@]23CCCC[C@@H]2CC3)c1 2277956890 RHTSFGGZFIUWTN-KCXAZCMYSA-N 451.040 6.488 50 10 JKGE FC1(F)C[C@@](CBr)(Cc2ccc(I)c(Cl)c2)C12CCC2 2280849542 QQCQOTOHWMSJPD-CYBMUJFWSA-N 475.542 6.078 50 10 JKGE COc1ccc([C@H](Br)c2ccc(Br)c(C)c2)c(Br)c1Cl 2283554445 PETBXJPHQQXROG-CYBMUJFWSA-N 483.425 6.666 50 10 JKGE COc1cccc(C=C(C#N)C(=O)Nc2ccc(Cl)c([N+](=O)[O-])c2)c1OCc1cccc(Cl)c1 2293355638 DQXZIVVHQRCHQW-UHFFFAOYSA-N 498.322 6.035 50 10 JKGE N#CC(=Cc1coc2c(Cl)cc(Cl)cc2c1=O)C(=O)Nc1cccc(C(F)(F)F)c1 2295326913 FBHGTCOYFWNGCS-UHFFFAOYSA-N 453.203 5.664 50 10 JKGE CCOC(=O)C(C#N)=Cc1c(C)cc(C)c(Cc2c(C)cc(C)c(C=C(C#N)C(=O)OCC)c2C)c1C 2297311660 QCXJSZDTYSEAGZ-UHFFFAOYSA-N 498.623 6.068 50 10 JKGE COc1c(Cl)cc(Cl)cc1C=NNC(=O)c1cccc(NC(=O)c2ccc(F)cc2)c1 2297322576 YVDUWRLJYDKWGR-UHFFFAOYSA-N 460.292 5.157 50 10 JKGE Brc1cc(OCc2ccccc2)ccc1[C@H](Br)[C@H]1CCC12CCC2 2299495877 RWYYQYNXPQPETA-QUCCMNQESA-N 450.214 7.044 50 10 JKGE Brc1cc(OCc2ccccc2)ccc1[C@H](Br)[C@@H]1[C@H]2CCOC[C@H]21 2299508495 JVNMQHYGJDKFOZ-ZSXHRAQDSA-N 452.186 5.747 50 10 JKGE CC1(C)[C@@H](Br)C[C@@H]1OCc1cc(I)ccc1Br 2302812784 AXSDYICVLLYOQN-RYUDHWBXSA-N 473.974 5.132 50 10 JKGE Cc1ccc(NC(=O)C(C#N)=Cc2ccc(OCc3ccccc3)c(I)c2)cc1 2313567020 BDNGEZNUVBUQEM-UHFFFAOYSA-N 494.332 5.724 50 10 JKGE CCc1ccc(NC(=O)C(C#N)=Cc2cc(Br)ccc2OCc2cccc(C)c2)cc1 2313738803 QDUNEPJIEOLXGE-UHFFFAOYSA-N 475.386 6.445 50 10 JKGE Brc1ccc(OCc2ccccc2)c([C@H](Br)[C@@H]2Cc3ccccc32)c1 2314446074 UWJITOAKHAXZKH-DENIHFKCSA-N 458.193 6.804 50 10 JKGE Fc1c(Br)cccc1[C@@H](Cl)c1cc(Br)ccc1OCc1ccccc1 2314449245 OMQDXOZWMFAYAI-LJQANCHMSA-N 484.590 7.258 50 10 JKGE FC1(F)CCC[C@H]1C[C@@H](Br)c1cc(Br)ccc1OCc1ccccc1 2314453175 UEBAXKMKFZQEGF-MAUKXSAKSA-N 474.183 7.290 50 10 JKGE Cc1ccc(F)c([C@@H](Br)c2ccc(OCc3ccccc3)cc2Br)c1 2314500410 NDQLYNWATAZSHM-NRFANRHFSA-N 464.172 6.960 50 10 JKGE C=CCNC(=O)C(C#N)=C1S[C@H](Cc2ccccc2Cl)C(=O)N1c1ccc(C(C)C)cc1 2314594150 ZTMWXHQUYZJNAB-JOCHJYFZSA-N 466.006 5.192 50 10 JKGE COc1ccc(C=CC(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@H]3c2ccc(C(C)C)cc2)cc1 2314634238 JQNJHXSSXDLNNB-NDEPHWFRSA-N 466.537 5.656 50 10 JKGE Clc1cc(I)c([C@H](Br)c2ccc3nsnc3c2)s1 2316771107 JVBVPBSZTFRWBS-SNVBAGLBSA-N 471.570 5.495 50 10 JKGE Cn1nc(Br)c(Br)c1[C@H](Cl)Cc1cccc(Br)c1 2316834398 OOCGSCOOFBJHEJ-SECBINFHSA-N 457.391 5.230 50 10 JKGE BrC[C@@H](Cc1cccc(Br)c1)Cc1nc(Br)cs1 2320029816 QGLVKOOBZDLNFV-JTQLQIEISA-N 454.025 5.464 50 10 JKGE CCCCOC(=O)c1ccccc1NC(=O)C(C#N)=CNc1cc(C(F)(F)F)cc(C(F)(F)F)c1 2325309800 YPYNTXFCRSFAER-UHFFFAOYSA-N 499.411 6.139 50 10 JKGE COc1cc(C=CC(O)=C(C#N)c2nc(-c3ccccc3Cl)cs2)ccc1OC(C)=O 2331266747 FBLJXRFAPHDWIA-UHFFFAOYSA-N 452.919 5.903 50 10 JKGE N#CC(=Cc1ccc(OCc2ccc(Cl)cc2Cl)cc1)c1nc(-c2ccccc2)cs1 2331439975 LHQUUNRKDVZPMY-UHFFFAOYSA-N 463.389 7.760 50 10 JKGE N#CC(=Cc1cccc(OCc2ccccc2)c1)c1nc(-c2ccc(Cl)c(Cl)c2)cs1 2331443924 OFMINAQAHKNQOW-UHFFFAOYSA-N 463.389 7.760 50 10 JKGE Brc1ccc(OCc2ccccc2)c([C@@H](Br)c2csc3c2CCCC3)c1 2336050735 MNCZVSNWVDZLQM-JOCHJYFZSA-N 492.276 7.453 50 10 JKGE C[C@@H]1CC[C@](C)([C@@H](Br)c2ccc(OCc3ccccc3)cc2Br)C1(C)C 2336052561 BIFVCIACYBRFRI-XORNHQRDSA-N 480.284 7.927 50 10 JKGE Fc1cc(Br)ccc1C[C@@H](Cl)c1ccc(OCc2ccccc2)cc1Br 2336053256 IDRHBYAPGSVQOS-HXUWFJFHSA-N 498.617 7.452 50 10 JKGE Fc1c(Br)cc(Cl)c([C@@H](Br)[C@@H]2C[C@H]2C(F)(F)F)c1Br 2337093638 HHDVBNGEDLMMTN-ZFSUVSKUSA-N 489.326 6.639 50 10 JKGE ClC[C@H](Cc1ccc(Cl)c(I)c1)c1ccccc1Br 2337222091 WFOBYDMBHDSJQK-NSHDSACASA-N 469.975 6.272 50 10 JKGE Clc1cc(I)c([C@@H](Br)C2C3CC4CC(C3)CC2C4)s1 2338772673 GPLXQIPKGVNTEP-HNVPQFPVSA-N 471.629 6.514 50 10 JKGE Clc1sc(Br)c(Cl)c1[C@@H](Br)[C@H]1COC2(CCC2)CO1 2338784852 RMZLDGVFOKZZON-SVRRBLITSA-N 451.007 5.592 50 10 JKGE CCC(C)(C)C[C@@H](Br)c1c(C)cc(Br)c(OC)c1Br 2339653270 HSMORNCBTLFQEI-LLVKDONJSA-N 457.044 6.791 50 10 JKGE Cc1scc([C@H](Br)c2csc3c(Br)cccc23)c1Br 2343556518 ZFIOVJSTWVVZLL-CYBMUJFWSA-N 481.072 7.281 50 10 JKGE C[C@@H](c1ccncc1F)[C@@H](Cl)c1cc(Br)ccc1I 2344696071 PDTMMLWIJZDSQG-RMLUDKJBSA-N 454.508 5.671 50 10 JKGE Clc1ccccc1[C@@H](Cl)CCc1ccc(I)c(Br)c1 2349834103 GOGQFUHBAVCUME-AWEZNQCLSA-N 469.975 6.620 50 10 JKGE Cc1cc(Br)c([C@@H](Br)C[C@@H]2C[C@H]2C(F)(F)F)c(C)c1Br 2358673106 HHWYYROCFGYDDY-NGZCFLSTSA-N 478.972 6.853 50 10 JKGE CC(C)(C)OC(=O)NC[C@@]1(C(F)(F)F)CCCN1C[C@@](C)(CBr)C(C)(C)C 2380169449 SVDYZQRAFFKMIZ-QZTJIDSGSA-N 459.391 5.355 50 10 JKGE CCCCc1ccc(N2CSC3=C(C#N)[C@H](c4cc(OC)c(OC)cc4OC)CC(=O)N3C2)cc1 9693606 XOSPNDDFTWFTKV-FQEVSTJZSA-N 493.629 5.274 50 10 JKGE CCCCCCOc1ccc(C(=O)NNC(=O)COc2ccc(Cl)c(C)c2)cc1Br 14640629 ZVHFSWRQKVWWDI-UHFFFAOYSA-N 497.817 5.210 50 10 JKGE C/C(=N\NC(=O)[C@H](C)Oc1ccc(Cl)cc1C)c1ccc(NC(=O)C2CCCCC2)cc1 20352609 WGIAUKHWYMWUSI-ADXYVXIDSA-N 455.986 5.475 50 10 JKGE COc1ccc(/C=C/C(=O)Oc2ccc(/C=C(/C#N)c3ccc(Cl)cc3)cc2OC)cc1OC 31902185 AUZJLOJCLPFCBU-SIVWJGBNSA-N 475.928 6.049 50 10 JKGE CCOc1cc(C(=O)Oc2cccc(/C=C(/C#N)c3cccc(Cl)c3)c2)cc(OCC)c1OCC 31902501 PDHZTWQGOSFCCV-XKZIYDEJSA-N 491.971 6.819 50 10 JKGE CC(=O)c1ccc(-c2ccc(/C=C3/C(=O)N(Cc4ccc(C)cc4)C(=O)C(C#N)=C3C)o2)cc1 38608408 CWLOZHUPVVXOCK-ZVHZXABRSA-N 450.494 5.250 50 10 JKGE CC1=C(C#N)C(=O)N(Cc2ccc(C)cc2)C(=O)/C1=C/c1ccc(OCc2ccc(Cl)cc2)cc1 38608466 WSDUWSHHISTYBX-CVKSISIWSA-N 482.967 6.020 50 10 JKGE Cc1ccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)COc4ccc(C(C)C)cc4)ccc32)cc1 38649278 MJLBFZVTXSZDLE-HHHXNRCGSA-N 454.526 5.321 50 10 JKGE CC(C)(C)c1ccc(OCC(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@@H]3c2ccccc2Cl)cc1 38651061 SKVPDELTYMKWSB-AREMUKBSSA-N 488.971 5.840 50 10 JKGE Cc1occc1C(=O)N/N=C1\CCCc2oc(C(=O)Nc3ccc(/N=N/c4ccccc4)cc3)c(C)c21 40823503 FIENEIWTCOLBMN-MOEWZAAZSA-N 495.539 6.628 50 10 JKGE CCc1cccc(OCC(=O)N/N=C/c2cc(Br)ccc2OCc2ccccc2)c1 40889014 HFDMCQWMRUKBOS-CVKSISIWSA-N 467.363 5.120 50 10 JKGE Cc1ccc(COc2ccc(Br)cc2/C=C(/C#N)C(=O)Nc2cc(C)ccc2C)cc1 58834178 XEACTQVKHBDHND-XKZIYDEJSA-N 475.386 6.499 50 10 JKGE Fc1cc(Br)c(Cl)cc1[C@H](Br)c1ccc(Br)cc1Cl 97896098 UZFFEIGDGVMMBK-CYBMUJFWSA-N 491.807 7.142 50 10 JKGE N#C/C(=C(/O)[C@@H]1Cc2ccccc2C(=O)O1)c1nc(-c2ccc(Br)cc2)cs1 100990040 XCOTWPLIOCCRHP-ORKPOYISSA-N 453.317 5.147 50 10 JKGE CC(C)OC(=O)c1ccc(N/C=C(/C#N)c2nc(-c3ccc(Cl)cc3Cl)cs2)cc1 102934450 ZYPWFNXSYIHWAW-PTNGSMBKSA-N 458.370 6.659 50 10 JKGE Clc1ccc(Br)cc1[C@H](Cl)c1cc2c(cc1Br)OCCO2 109821709 MDGYJCUWZHOSJO-OAHLLOKOSA-N 452.957 5.964 50 10 JKGE COc1c(Br)cc(Cl)cc1[C@H](Br)c1cc(Cl)cc(Cl)c1 109836393 JWOABYNMWDERHR-CYBMUJFWSA-N 459.392 6.902 50 10 JKGE Fc1cc(Br)cc(CC(CBr)(CBr)c2ccccc2)c1 125123816 APOOSQSJYWTMKF-UHFFFAOYSA-N 464.998 5.859 50 10 JKGE COc1c(C)cc(Br)c(C)c1[C@@H](Br)c1cc(F)ccc1Br 125748972 RYMFWIAEGBYCSM-HNNXBMFYSA-N 480.997 6.460 50 10 JKGE Clc1ccc([C@H](Br)c2cc(Br)c(Br)s2)cc1Cl 128248256 PZJSWIGJYIJXNH-JTQLQIEISA-N 479.846 7.064 50 10 JKGE CC[C@H](c1ccccc1)[C@@H](Br)c1cc(Br)c(C)cc1Br 128764206 LEOTZGQAVMNQRZ-CXAGYDPISA-N 461.035 7.150 50 10 JKGE N#C/C(=C/c1cn(-c2ccccc2)nc1-c1cccc2ccccc12)c1nc(-c2cccs2)cs1 214016403 PRFIRAPERMDZFF-PGMHBOJBSA-N 486.625 7.942 50 10 JKGE COc1cc(/C=C2\C(=O)N(Cc3ccc(F)cc3)C(=O)C(C#N)=C2C)ccc1OCc1ccc(C)cc1 214411789 MQZMGDBYUQSAGX-QFEZKATASA-N 496.538 5.514 50 10 JKGE CC[C@H](N/C=C(/C#N)C(=O)Nc1ccc(Oc2ccccc2)cc1)c1ccc2c(c1)CCCC2 217210234 HRDVOQWFEUNVMG-VXHROTETSA-N 451.570 6.445 50 10 JKGE Fc1cc(Br)ccc1[C@@H](Br)c1cc(Br)c(Cl)s1 227846722 QBDNNKBIJIQJAH-SNVBAGLBSA-N 463.391 6.550 50 10 JKGE CCOc1ccc([C@H](Br)c2ccc(Br)s2)cc1Br 228996423 MDSNELKAWKBEDN-ZDUSSCGKSA-N 455.009 6.156 50 10 JKGE Cc1cccc([C@@H](Br)c2ccc(Br)cc2)c1I 235928302 DTALLZCINZLBEC-ZDUSSCGKSA-N 465.954 5.846 50 10 JKGE Cc1sc([C@@H](Br)c2ccc(Cl)c(Br)c2)cc1Br 235971321 XSHHCGHHVJPMON-LBPRGKRZSA-N 459.428 6.719 50 10 JKGE Cl[C@H](c1cc(Br)ccc1I)c1sccc1Br 236038608 CRVRBAUXGCQBCG-SNVBAGLBSA-N 492.401 6.206 50 10 JKGE Clc1ccc([C@@H](Br)c2cc(Br)cc(Br)c2)cc1Cl 236061911 OLVSQFLHYLWMQV-CYBMUJFWSA-N 473.817 7.003 50 10 JKGE Cc1ccc(NCc2nnc(S[C@H](C)C(=O)NN=Cc3ccccc3C)n2-c2ccccc2)cc1 252639329 YJKKSTDMKUWLGJ-OAQYLSRUSA-N 484.629 5.127 50 10 JKGE CC(=NNC(=O)c1cccc2ccccc12)c1cccc(NC(=O)C(F)(F)C(F)(F)C(F)(F)F)c1 254347360 IAOAWKCYDCEYHE-UHFFFAOYSA-N 499.386 5.765 50 10 JKGE O=C(NN=Cc1cccc2ccccc12)c1ccc([C@@H]2SCC(=O)N2Cc2ccccc2)cc1 254394636 HWVZHJSTBQWDKX-NDEPHWFRSA-N 465.578 5.378 50 10 JKGE COC(=O)c1cccc2c(C=NNC(=O)CSc3cc(C(C)(C)C)c(O)c(C(C)(C)C)c3)c[nH]c12 254411714 PFQDNKKYDNVYNX-UHFFFAOYSA-N 495.645 5.498 50 10 JKGE CCCOc1ccc(C=NNC(=O)CCn2cnc(-c3ccccc3)c2-c2ccccc2)cc1 254816779 SDUAUIZWRMFDRY-UHFFFAOYSA-N 452.558 5.546 50 10 JKGE Cc1c(C(=O)Nc2ccc(N=Nc3ccccc3)cc2)oc2c1/C(=N/NC(=O)c1ccncc1)CCC2 256018210 PBPUBQXOWCKDQY-JEMYOPGDSA-N 492.539 6.121 50 10 JKGE Br[C@@H](CC[C@H]1CCCCO1)c1cc(I)cc2c1OCC2 312260428 DUUOOMBMZTVMNG-HIFRSBDPSA-N 451.142 5.011 50 10 JKGE C[C@H](C1CC1)N(Cc1ccccc1)S(=O)(=O)c1cc(Br)cc(CCl)c1F 385330732 QIGNDMMCDIRALO-CYBMUJFWSA-N 460.796 5.316 50 10 JKGE Cc1cc(Br)c([C@@H](Cl)c2nscc2Br)cc1Br 404760746 IMQDAIVOCRQOBR-SNVBAGLBSA-N 460.416 6.067 50 10 JKGE Clc1ccc(I)c(CN[C@@H](CBr)C2CCCCC2)c1 405295403 KLVVHUIJXAWEAO-HNNXBMFYSA-N 456.593 5.378 50 10 JKGE CC(C)(C)OC(=O)N1C[C@H](c2cccc(CCO[Si](C)(C)C(C)(C)C)c2)Nc2ccccc21 616681187 TVHBJHQJBRBEDV-HSZRJFAPSA-N 468.714 7.159 50 10 JKGE Fc1cc(Br)ccc1C[C@H](Br)c1cc(Cl)c(Br)cc1F 692792287 HUAXLRQBTXRWJV-JTQLQIEISA-N 489.379 6.822 50 10 JKGE Cc1cc(Br)c([C@H](Br)C[C@H](C)C(F)(F)F)cc1Br 705455043 MCMGHESRURQTOZ-WRWORJQWSA-N 452.934 6.545 50 10 JKGE BrCc1ccc(Br)cc1N1CC[C@H]2[C@@H](CCCN2Cc2ccccc2)C1 715015034 NYTMLOBGEWMQPB-FPOVZHCZSA-N 478.272 5.835 50 10 JKGE CCOc1ccc([C@@H](O)CCC(=O)NN=Cc2cn(Cc3ccccc3F)c3ccccc23)cc1 725429068 NTIUMTRCKCERQE-MHZLTWQESA-N 473.548 5.191 50 10 JKGE CCOc1cc(/C=C(/C#N)C(=O)NCc2ccccc2)cc(Br)c1OCc1ccccc1 1083944161 XALUMWSTJQAZCX-XKZIYDEJSA-N 491.385 5.650 50 10 JKGE Cc1ccc(C=NNC(=O)CCCCCCCCCCC(=O)NN=Cc2ccc(C)cc2)cc1 1084032778 FAUOWBIAAURGGA-UHFFFAOYSA-N 462.638 5.805 50 10 JKGE Cc1ccc(-c2ccccc2)n1-c1ccc(C(=O)NN=Cc2ccc(N3CCCCCC3)o2)cc1 1084127019 UPJHYPQNXLQXNK-UHFFFAOYSA-N 466.585 6.190 50 10 JKGE O=C(NN=Cc1cc(Br)ccc1OCc1ccc(F)cc1)c1ccc(Cl)cc1 1084358517 ACVKNTPZCOMBDV-UHFFFAOYSA-N 461.718 5.585 50 10 JKGE Clc1ccc(O[C@]23CC=CC[C@](Oc4ccc(Cl)cc4)(CCC2)C3Br)cc1 1616048590 XGLJDEDVAXMKJQ-FRIKZZABSA-N 468.218 7.226 50 10 JKGE COc1ccc(NC(=O)c2oc3c(c2C)C(=NNC(=O)c2ccc(-c4ccccc4)cc2)CCC3)cc1 1772747776 QVNQABSAIDRTTM-UHFFFAOYSA-N 493.563 5.986 50 10 JKGE COc1cccc(C(=O)NN=C2CCCc3oc(C(=O)Nc4ccc(C)c(Cl)c4)c(C)c32)c1 1772748477 AGFDTNDHRYWIGA-UHFFFAOYSA-N 465.937 5.281 50 10 JKGE C[C@H](Oc1ccc(Cl)cc1Cl)C(=O)NNC(=O)c1ccc(-c2ccc3ccccc3c2)s1 1860391444 HJOVVGYFKOVFAY-AWEZNQCLSA-N 485.392 6.104 50 10 JKGE N#CC1=C(N)Oc2c(c(C(F)(F)F)nn2-c2ccc(Cl)c(Cl)c2)[C@@H]1c1cccc(Cl)c1 1865684335 WSZHLAOULPSGNR-OAHLLOKOSA-N 485.680 6.069 50 10 JKGE CCCOc1ccc([C@H]2C(C#N)=C(N)Oc3c2c(-c2ccccc2)nn3Cc2cccc(F)c2)cc1 1865694639 YECAHRYFPBKCSQ-VWLOTQADSA-N 480.543 5.744 50 10 JKGE CCn1nc(C(F)(F)F)c2c1OC(N)=C(C#N)[C@@H]2c1ccccc1OCc1ccccc1Cl 1865703709 ZYODZSWHEOMQCJ-SFHVURJKSA-N 474.870 5.372 50 10 JKGE Cc1ccc(-c2ccc(C(=O)NNC(=O)[C@@H](Cc3ccccc3)c3ccccc3)c(C)n2)cc1C 1865756160 JLAQQGTXKZQCQL-MHZLTWQESA-N 463.581 5.461 50 10 JKGE CCOC(=O)c1ccc(Oc2c(C)oc3cc(OCc4cccc(CCl)c4)ccc3c2=O)cc1 1871437415 WNZSJQUQABRFDQ-UHFFFAOYSA-N 478.928 6.388 50 10 JKGE COC(=O)c1ccc(/C(C#N)=C/c2ccc(OCc3ccc(Cl)cc3Cl)c(OC)c2)o1 1872728438 BKHLJRKZFQGTNX-CXUHLZMHSA-N 458.297 6.025 50 10 JKGE COc1ccc(-c2csc(/C(C#N)=C(\O)CCCOc3ccc4ccccc4c3)n2)cc1C 1872746817 ZKXKQVGCLYUHGJ-BZZOAKBMSA-N 456.567 6.932 50 10 JKGE COc1ccc(-c2csc(/C(C#N)=C(\O)COc3cc(Cl)ccc3Cl)n2)cc1F 1872752879 XNCQJDOPLIGPJM-LGMDPLHJSA-N 451.306 6.136 50 10 JKGE COc1cc(-c2csc(/C(C#N)=C(\O)CNC(=O)c3ccc(Cl)cc3)n2)c(OC)cc1Cl 1872754596 ABEVINPXBXTNGX-SDXDJHTJSA-N 490.368 5.357 50 10 JKGE CCOc1cc(/C=C(\C#N)c2nc(-c3cccc(OC)c3)cs2)ccc1OCc1ccccc1C 1872781375 BZCCNWQISUNRSK-ZVHZXABRSA-N 482.605 7.169 50 10 JKGE CCN(Cc1ccccc1)c1ccc(/C=C(\C#N)c2nc(-c3cc(OC)ccc3OC)cs2)cc1 1872791724 PZKKIORMXQPWEF-XQNSMLJCSA-N 481.621 6.918 50 10 JKGE CCCCCCOc1ccc(/C=C(\C#N)c2nc(-c3cc(C(C)(C)C)ccc3C)cs2)cc1OC 1872794043 HIZRHCDXSZUXIE-XQNSMLJCSA-N 488.697 8.448 50 10 JKGE FC1([C@H](Br)c2c(Br)sc(Br)c2Br)CC1 1905896982 LPFJNFYTVRZBAD-RXMQYKEDSA-N 471.809 5.974 50 10 JKGE CC(C)[C@H](CBr)N(Cc1ccccc1)c1ccc(C(F)(F)F)cc1Br 1915322308 LJCHJNVMRDOXER-SFHVURJKSA-N 479.178 6.894 50 10 JKGE CSc1ccc([C@@H](Br)c2sc(Br)cc2Br)cc1 1922935235 NTTXYBLFRSWWPM-LLVKDONJSA-N 457.050 6.479 50 10 JKGE C[C@@H](c1ccncc1Br)[C@@H](Br)c1sccc1I 1924022231 OBFYJPTZNYUDAS-WRWORJQWSA-N 486.998 5.750 50 10 JKGE Cc1cccc([C@H](Cl)c2c(Br)sc(Br)c2Br)c1Cl 1924589843 GBNANUYSIZSEJU-JTQLQIEISA-N 493.873 7.326 50 10 JKGE Fc1cc(Cl)ccc1[C@H](Cl)c1c(Br)sc(Br)c1Br 1924592333 YKWMJQBFSQCFEB-VIFPVBQESA-N 497.836 7.156 50 10 JKGE COc1c(C)cc(Br)c(C)c1[C@H](Br)c1csnc1Br 1925257296 SQWMGJWUJUCMJU-LLVKDONJSA-N 470.024 5.778 50 10 JKGE CCc1sc(Br)cc1[C@@H](Br)c1cc(Br)sc1C 1946647470 GOAOHCRUWABGFS-LBPRGKRZSA-N 459.066 6.690 50 10 JKGE Brc1cc(Br)c(OC[C@H]2C[C@H](Br)C2)c(Br)c1 1991497977 XBGHKZSEQJFLEP-LJGSYFOKSA-N 477.816 5.526 50 10 JKGE C[C@@H]1CCC[C@H](O[C@]2(CI)CCCN(C(=O)OC(C)(C)C)C2)[C@@H]1C 2022946856 DOTHOVMYXNFUMV-JEWRLFTDSA-N 451.389 5.032 50 10 JKGE CC[C@H](C)[C@H](CI)NCc1c(Br)cccc1Br 2023044534 RONLVMIFLZLYFR-ZANVPECISA-N 475.006 5.151 50 10 JKGE Cc1c(Br)sc([C@H](Br)C[C@@H]2COC(C)(C)C2)c1Br 2041482485 LLWWECTWFNLUEE-DTWKUNHWSA-N 461.057 6.223 50 10 JKGE CC[C@H]1CN(c2cc(Br)cc(F)c2CBr)CCN1Cc1ccccc1 2051131254 IGOKGZGRZUUXLS-KRWDZBQOSA-N 470.224 5.584 50 10 JKGE ClC[C@@H](Cc1ccc(Br)cc1Br)c1cccc(Br)c1 2092261053 MRMXRPARVYFAKL-GFCCVEGCSA-N 467.426 6.539 50 10 JKGE Brc1cccc(C[C@H]2CCCCCCC[C@H]2Br)c1Br 2112482595 CORXTGKCRJGJHO-TZMCWYRMSA-N 453.056 6.878 50 10 JKGE Cc1ccc([C@H](Cl)c2cc(I)ccc2F)c(C)c1Br 2113350647 GSBKGJVRNGKFJY-HNNXBMFYSA-N 453.520 6.138 50 10 JKGE CO[C@H]1C[C@H]([C@H](Cl)c2c(Br)sc(Br)c2Br)C[C@H]1OC 2118265876 CSBKHDOZLWIBPG-DOACCVQLSA-N 497.474 5.756 50 10 JKGE CC1(C)CC12CC(CBr)(Cc1ccc(Br)cc1Br)C2 2127497059 FHPAFRSDLJKZHD-UHFFFAOYSA-N 451.040 6.346 50 10 JKGE Cc1cc(Br)c(C)c([C@H](Br)[C@H]2CC(C)(C)CO2)c1Br 2136369474 DJESFKCQFXBGHB-BXUZGUMPSA-N 455.028 6.080 50 10 JKGE Cc1cc(Br)c(C)c([C@@H](Br)C2(C)CCCCC2)c1Br 2136379733 NTKOWEFCWCGWCF-OAHLLOKOSA-N 453.056 7.235 50 10 JKGE Cc1cc(Br)c(C)c([C@@H](Br)CCCC(F)(F)F)c1Br 2136381833 LWBBIBHFCNWDDL-VIFPVBQESA-N 466.961 6.997 50 10 JKGE Cc1c(Br)ccc([C@H](Br)[C@@]2(C)CCCC2(F)F)c1Br 2138870508 JHNGJQXBSWMNGB-QWHCGFSZSA-N 460.982 6.782 50 10 JKGE COc1c(Br)cc(C)cc1[C@@H](Br)c1cc(C)c(Br)o1 2139015644 UUFTURSEZVUGQW-GFCCVEGCSA-N 452.968 5.914 50 10 JKGE C[C@H](Cl)c1nc2cc(I)ccc2n1CCc1cnn(Cc2ccccc2)c1 2146277310 IGKDGUIEVCTQHC-HNNXBMFYSA-N 490.776 5.428 50 10 JKGE C[C@@H]1Cc2cc([C@@H](Cl)c3ccc(I)cc3)cc(Br)c2O1 2146616956 VCYZPFBJMJPSTL-PSLIRLAXSA-N 463.540 5.705 50 10 JKGE O=C(c1cc(Br)sc1Br)N1CCC[C@@H]2CC[C@@H](Br)C[C@H]21 2167014497 WLSQBWKVJADGME-FXPVBKGRSA-N 486.067 5.441 50 10 JKGE CC1(C)CCCN(C(=O)c2cccc(Br)c2Br)[C@H]1CBr 2185819014 IKHCKNCCVRMABZ-LBPRGKRZSA-N 468.027 5.237 50 10 JKGE Cc1cc(Br)c(C)c([C@@H](Br)C23CCCC2CCC3)c1Br 2201076385 YGRVFUIXCKFSEK-PTXATLKXSA-N 465.067 7.235 50 10 JKGE COc1c(Cl)cc(Br)cc1[C@H](Br)c1cc(F)ccc1Br 2203003256 LVJBPBHVAZPGIV-CYBMUJFWSA-N 487.388 6.497 50 10 JKGE COc1ccc([C@@H](Cl)c2cc(Br)ccc2Br)c(Cl)c1Cl 2203448485 UXLFNADQOUXIPU-GFCCVEGCSA-N 459.392 6.855 50 10 JKGE FC(F)(F)c1cccc([C@@H](Br)c2ccc(Br)cc2Br)c1 2203685237 JPVKIXHNYCXUQP-CYBMUJFWSA-N 472.924 6.715 50 10 JKGE COc1ccc(C(=O)N(Cc2ccccc2)[C@H](C)CCBr)c(Br)c1 2217400351 ZTGMKPJSBOVSBP-CQSZACIVSA-N 455.190 5.274 50 10 JKGE Clc1cc(Br)c([C@H](Cl)c2ccoc2Br)c(Cl)c1Cl 2217612854 ISWNUTYGGAAALN-MRVPVSSYSA-N 453.772 7.093 50 10 JKGE C[C@H]([C@@H](Br)c1c(Br)cc(Cl)c(Cl)c1Cl)S(C)(=O)=O 2217617081 CLRGELUAXFKGHA-SPGJFGJESA-N 459.414 5.278 50 10 JKGE Cc1c(Br)sc([C@@H](Cl)c2c(Br)cccc2Br)c1C 2218781174 NOJKNVKZBMLESQ-NSHDSACASA-N 473.455 6.981 50 10 JKGE Cc1nn(C)c([C@@H](Br)c2ccc(Br)c(C)c2Br)c1Cl 2232172532 VZQDBVXQLTTYDD-NSHDSACASA-N 471.418 5.700 50 10 JKGE COc1ccc(Br)cc1[C@@H](Br)c1cc(C)ccc1I 2232224292 WRSVEKZRSMCXKE-HNNXBMFYSA-N 495.980 5.855 50 10 JKGE CSc1ccc([C@H](Br)c2c(Br)cc(Cl)c(Cl)c2Cl)cc1 2232509682 FBDZXRDBIMINCT-LBPRGKRZSA-N 475.460 7.616 50 10 JKGE Clc1cc(Br)c([C@@H](Br)[C@@H]2CC3CCC2CC3)c(Cl)c1Cl 2232514354 UTLUTVNAVBLWSI-YYQWEOLTSA-N 461.452 7.672 50 10 JKGE Cc1ccc([C@@H](Cl)c2c(C)cc(C)c(Br)c2C)cc1I 2232834669 WFKVTJLTRHHZLO-QGZVFWFLSA-N 463.584 6.616 50 10 JKGE Clc1ccc(I)c(CN2CC[C@@H]3[C@H](Br)CCC[C@H]3C2)c1 2233841749 DFICFYIVGAYRFG-TUKIKUTGSA-N 468.604 5.330 50 10 JKGE Cc1cc(Br)c([C@@H](Br)c2cccc(Cl)c2C)c(C)c1Br 2235607175 YKTOHMWBEQRHAM-INIZCTEOSA-N 481.453 7.275 50 10 JKGE O=C(c1cc(Br)c(Br)s1)N1C[C@H]2CCCC[C@@]2(CBr)C1 2238793031 ZFSATGHMFCWYGF-YMTOWFKASA-N 486.067 5.300 50 10 JKGE Cc1cc(C(=O)Nc2ccc(Cl)cc2CBr)ccc1I 2239635755 JNSYFEDDVNSILS-UHFFFAOYSA-N 464.528 5.400 50 10 JKGE COc1c([C@H](Br)c2ccc(Br)cc2Br)csc1Cl 2256862079 WHZRMTBZMSMHRG-SNVBAGLBSA-N 475.427 6.419 50 10 JKGE C[C@@H]([C@H](Br)c1c(F)cc(Br)c(F)c1Br)C(C)(F)F 2260072770 CRPXUBRZPMLTOI-NVNXEXLPSA-N 456.897 6.217 50 10 JKGE Cc1cc(Cl)c(Cl)cc1[C@@H](Cl)c1c(Br)sc(Br)c1Cl 2270988570 IOOUZOOUEDMMSA-SECBINFHSA-N 483.867 7.870 50 10 JKGE C[C@@H]1C[C@@H]2C[C@@H]2C[C@@H]1[C@@H](Br)Cc1cc(Br)cc(Br)c1 2277950351 VCRUXYUWQVPEAX-DXUMZHCMSA-N 451.040 6.200 50 10 JKGE COc1c([C@@H](Br)c2ncsc2Br)cc(Br)c2c1CCC2 2284592103 ARARBVTVBMZKFH-LLVKDONJSA-N 482.035 5.650 50 10 JKGE COc1ccc([C@H](Br)[C@]23CCCC[C@@H]2OCC3)cc1I 2284997589 HFYUBLIGLKTUGG-JYJNAYRXSA-N 451.142 5.085 50 10 JKGE Fc1cc(Br)c(F)c(Br)c1[C@H](Br)[C@H]1C[C@H]1C1CCCC1 2288349966 VQWLMMWMLLIAPZ-MWODSPESSA-N 472.993 6.752 50 10 JKGE COc1ccc(C[C@H]2SC(=C(C#N)C(=O)Nc3cccc(Cl)c3)N(c3ccccc3)C2=O)cc1 2295987723 ZHWAUOKBOOEUSE-HSZRJFAPSA-N 489.984 5.414 50 10 JKGE N#CC(=Cc1c(Oc2ccc(Cl)cc2Cl)nc2ccccn2c1=O)C(=O)NCc1ccccc1 2296544493 OUNJCMCDQOWQBG-UHFFFAOYSA-N 491.334 5.017 50 10 JKGE N#CC(=Cc1cc(Br)cc(Br)c1O)C(=O)Nc1ccc(Cl)cc1 2296825612 DBVNYZJUGNJLAH-UHFFFAOYSA-N 456.521 5.116 50 10 JKGE CCOC(=O)C(C#N)=C1S[C@H](Cc2ccc(Cl)cc2Cl)C(=O)N1c1ccc(C)cc1 2296834925 BZOWRJSFLOHFJE-LJQANCHMSA-N 461.370 5.291 50 10 JKGE COc1ccc(C=C2CCCC3=C2OC(N)=C(C#N)[C@H]3c2ccc(OC)cc2OC)c(OC)c1 2296907849 FUUBNJNDENGICH-VWLOTQADSA-N 460.530 5.050 50 10 JKGE N#CC(=Cc1cc2cc(Br)ccc2nc1Cl)c1nc(-c2ccc(Cl)cc2)cs1 2297550832 YSHCFEIEYKAXFN-UHFFFAOYSA-N 487.209 7.492 50 10 JKGE Cn1cc([C@@H](Cl)c2cc(Br)ccc2OCc2ccccc2)nc1Br 2299506629 BOCKTQDLDQFDRC-KRWDZBQOSA-N 470.592 5.852 50 10 JKGE Brc1cc(OCc2ccccc2)ccc1[C@@H](Br)[C@@H]1C[C@H]2CC[C@@H]1C2 2299525431 NRXNFNYNFMIBER-VXIWKAIFSA-N 450.214 6.900 50 10 JKGE CCOc1cc(C=C(C#N)C(=O)NCc2cccs2)ccc1OCc1ccccc1Cl 2313540463 BHROVBWISPIPRQ-UHFFFAOYSA-N 452.963 5.603 50 10 JKGE CCCCOc1ccc(Br)cc1C=C(C#N)C(=O)Nc1cccc(C(F)(F)F)c1 2313681172 PYBRNWDQKOQECK-UHFFFAOYSA-N 467.285 6.192 50 10 JKGE Brc1cc(OCc2ccccc2)ccc1[C@@H](Br)[C@H]1C[C@@H]2CC[C@H](C1)O2 2314442859 DIMRADRQLCFGER-JWVYWZTKSA-N 466.213 6.422 50 10 JKGE COC(=O)c1c(NC(=O)C(C#N)=Cc2ccc3noc(-c4ccccc4)c3c2)sc2c1CCCC2 2314571682 KCLZBCSYRTVZRW-UHFFFAOYSA-N 483.549 5.767 50 10 JKGE CC1=C(C#N)C(=O)N(C2CCCCC2)C(=O)C1=Cc1ccc(-c2ccc(Cl)cc2Cl)o1 2314617067 QEEVBGRRVCZKIN-UHFFFAOYSA-N 455.341 6.178 50 10 JKGE CCCCNC(=O)C(C#N)=Cc1ccc(OC(=O)COc2ccccc2-c2ccccc2)c(OC)c1 2314785792 NKVOVGBEARWNTH-UHFFFAOYSA-N 484.552 5.170 50 10 JKGE Fc1c(Br)cc(Cl)c([C@@H](Cl)c2cscc2Br)c1Br 2315464122 YBRBNGDPLFPBQC-JTQLQIEISA-N 497.836 7.156 50 10 JKGE Cc1cc(Cl)c(Cl)cc1[C@H](Br)c1sc(Cl)cc1I 2316768637 AXAAPNYHDSOGQH-NSHDSACASA-N 496.422 7.106 50 10 JKGE Cc1cc(C)c([C@@H](Br)c2sc(Cl)cc2I)c(C)c1 2316768853 CSVABVQTXOIHGI-CYBMUJFWSA-N 455.586 6.416 50 10 JKGE COc1cc(C=C(C#N)c2ccccc2)ccc1OC(=O)c1cc(C(F)(F)F)cc(C(F)(F)F)c1 2320506058 AQSGTKZABNFYFL-UHFFFAOYSA-N 491.387 7.016 50 10 JKGE C[C@H]1CCc2[nH]c3ccc(C(=O)NN=Cc4ccc(OC(=O)c5ccccc5)cc4)cc3c2C1 2323168566 IWPJUHYUZGOPLC-SFHVURJKSA-N 451.526 5.276 50 10 JKGE CCOC(=O)c1c(-c2ccc(C)c(C)c2)csc1NC(=O)C(C#N)=Cc1ccc(Cl)cc1 2329655692 JEQMJAZIWUUXCK-UHFFFAOYSA-N 464.974 6.408 50 10 JKGE COC(=O)c1ccccc1N1C[C@@H](C(O)=C(C#N)c2nc(-c3ccc4ccccc4c3)cs2)CC1=O 2331237764 BSHGFKMIEREYAH-FQEVSTJZSA-N 495.560 5.596 50 10 JKGE CCCOc1ccc(-c2csc(C(C#N)=C(O)C=Cc3ccc(Cl)cc3Cl)n2)cc1 2331318410 ITRPBFXFSPIMFL-UHFFFAOYSA-N 457.382 7.412 50 10 JKGE CC(C)c1ccc(-c2csc(C(C#N)=C(O)CCN3C(=O)c4cccc([N+](=O)[O-])c4C3=O)n2)cc1 2331343045 PIZDONKOFZLBJI-UHFFFAOYSA-N 488.525 5.321 50 10 JKGE CCCCCCCOc1ccc(-c2csc(C(C#N)=C(O)[C@@H](C)Oc3ccc(Cl)cc3)n2)cc1 2331345413 ITFNFRMATADRJI-LJQANCHMSA-N 497.060 8.073 50 10 JKGE COc1ccc(-c2csc(C(C#N)=C(O)[C@H]3CC(=O)N([C@H](C)c4ccccc4)C3)n2)c(C)c1C 2331362272 QJMNXPIVZSMEEK-QUCCMNQESA-N 473.598 5.838 50 10 JKGE COc1ccc(C=CC(O)=C(C#N)c2nc(-c3cc(Cl)c(OC)cc3OC)cs2)cc1 2331378741 XEQPMUDPWYCVGN-UHFFFAOYSA-N 454.935 5.995 50 10 JKGE C[C@H](c1ccccc1)N1C[C@@H](C(O)=C(C#N)c2nc(-c3ccc(Cl)s3)cs2)CC1=O 2331402199 YZUWEPRSCJZNLF-HIFRSBDPSA-N 455.992 5.927 50 10 JKGE CC[C@H](C)N1C(=O)c2ccc(C(O)=C(C#N)c3nc(-c4cc(Cl)ccc4Cl)cs3)cc2C1=O 2331403727 CBIDLVLAFBOIDX-LBPRGKRZSA-N 498.391 6.461 50 10 JKGE COc1cc(C=C(C#N)c2nc(-c3ccc(Cl)cc3)cs2)ccc1OCc1ccc(Cl)cc1 2331440084 YPJYHDCXIHLEGS-UHFFFAOYSA-N 493.415 7.769 50 10 JKGE Cc1c(Br)ccc([C@@H](Br)[C@@H]2[C@@H]3[C@H]2CCC3(F)F)c1Br 2333145727 BMDYSFWBTBRJRR-HKDSHFDBSA-N 458.966 6.247 50 10 JKGE CC[C@H]([C@@H](Br)c1c(Cl)cc(Br)c(F)c1Br)C(C)(F)F 2337085180 UZTCYQVXKLVHFX-MLUIRONXSA-N 487.379 7.122 50 10 JKGE COc1c(Br)cc(C)c([C@@H](Br)C2CCCCC2)c1Br 2339650661 IILYTVPMASPQCU-ZDUSSCGKSA-N 455.028 6.545 50 10 JKGE Cc1cc(Br)c(F)c(Br)c1[C@@H](Br)C(C)(C)C(C)(F)F 2339676634 ACHUNXFGFQPXQG-LLVKDONJSA-N 466.961 6.777 50 10 JKGE Cc1cc(Br)c(F)c(Br)c1[C@H](Cl)c1scc(Cl)c1Cl 2339684862 PKGWKXQYVZYZQJ-JTQLQIEISA-N 467.412 7.356 50 10 JKGE CCC[C@H]1CN(Cc2ccc(Cl)cc2I)C[C@H]1CBr 2341012635 QMNFVDPAMIRDFH-WCQYABFASA-N 456.593 5.188 50 10 JKGE BrC[C@H](OCc1ccc(I)c(Br)c1)c1ccccc1 2350068539 OMZRZKXCRJSYJN-HNNXBMFYSA-N 495.980 5.707 50 10 JKGE Cc1c(Br)ccc([C@@H](Br)[C@@H]2C[C@H]2C2CCCCC2)c1Br 2358115320 XFHVJBNIRYRLCX-JJRVBVJISA-N 465.067 7.172 50 10 JKGE Brc1ccc(OCc2ccccc2)c([C@@H](Br)[C@H]2CCOc3ccccc32)c1 2361179861 YWSJTOOCEYRJOJ-CVDCTZTESA-N 488.219 7.030 50 10 JKGE Fc1cc(Br)cc(N2CCc3scc(Br)c3C2)c1CBr 2361590358 IEXWUIVJOUFXIV-UHFFFAOYSA-N 484.026 5.870 50 10 JKGE Fc1c(Br)cc(Cl)c([C@@H](Br)[C@@H]2CCC[C@H]2C(F)F)c1Br 2362226287 YGRLTYMCBTVUQS-DGAHNEANSA-N 499.390 7.122 50 10 JKGE Clc1ccc(CN2C[C@@H](Br)C3(CCCCC3)C2)cc1I 2362382257 DCGOLRBARRBSOQ-OAHLLOKOSA-N 468.604 5.474 50 10 JKGE CCC1([C@H](Br)c2c(C)cc(Br)c(OC)c2Br)CCCC1 2365187896 FQDBTAAKCVOQHS-OAHLLOKOSA-N 469.055 6.935 50 10 JKGE Cc1cc(Br)c(F)c(Br)c1[C@@H](Br)[C@@H]1C[C@H]2[C@@H](C1)C2(C)C 2365188680 NKSYRTIOBJZOGB-WJZNIJOASA-N 469.030 6.777 50 10 JKGE COc1c(Br)cc(C)c([C@H](Br)[C@@H]2CC(C)(C)CO2)c1Br 2365215502 KZUJNTCFRGHLLV-CMPLNLGQSA-N 471.027 5.780 50 10 JKGE Cc1cc(Br)c(F)c(Br)c1[C@@H](Br)C[C@H]1CCC[C@@H]2C[C@H]12 2365224924 DBJAKWPKDDMPMZ-WYUUTHIRSA-N 469.030 6.921 50 10 JKGE Clc1cc(Cl)cc(CC[C@@H](Br)c2cccc(Cl)c2Br)c1 2366901853 DEGCCDGNVACKKQ-CYBMUJFWSA-N 457.420 7.478 50 10 JKGE FC(F)(F)CC1CCC([C@@H](Br)c2cc(Br)c(Cl)s2)CC1 2381922557 CWRLGEOYWYXWMY-OIAXGBPSSA-N 454.577 7.359 50 10 JKGE CCOc1cc(C=NNC(=O)c2ccc(Cl)cc2)ccc1OCC(=O)Nc1ccc(C)c(C)c1 8437624 NOQVCZZNIZSMED-UHFFFAOYSA-N 479.964 5.137 50 10 JKGE CCOC(=O)/C(C#N)=C\c1cc(Br)c(OCc2cccc3ccccc23)c(OC)c1 16682042 CHICFPONIFNOIY-ODLFYWEKSA-N 466.331 5.660 50 10 JKGE COc1cc(/C=C(/C#N)c2cccc(Cl)c2)ccc1OC(=O)c1cccc(Br)c1 31902347 IXSGGTZIFNZTBS-ZDLGFXPLSA-N 468.734 6.394 50 10 JKGE Cc1cc(/C=C(/C#N)C(=O)N2CCn3c2nc2ccccc23)c(C)n1-c1ccc(Br)cc1 33660676 JKHBVYJVNBBXIQ-RGEXLXHISA-N 486.373 5.160 50 10 JKGE Cc1cc([N+](=O)[O-])ccc1NC(=O)/C(C#N)=C\c1cc(C)n(-c2cc(Cl)cc(Cl)c2)c1C 34829459 KCJLUFJSTRBTAA-IUXPMGMMSA-N 469.328 6.163 50 10 JKGE Cc1cc(Oc2ncnc(NNC(=O)C(c3ccccc3)c3ccccc3)c2N)ccc1Cl 40794894 ZVVMGZUMZIASHD-UHFFFAOYSA-N 459.937 5.088 50 10 JKGE Nc1c(NNC(=O)C(c2ccccc2)c2ccccc2)ncnc1Sc1cccc2cccnc12 40795049 OMUZEXMLTMVNDZ-UHFFFAOYSA-N 478.581 5.033 50 10 JKGE COC(=O)c1c(-c2ccc3c(c2)CCCC3)csc1NC(=O)/C(C#N)=C/c1ccc(Cl)cc1 41013091 YXFMNZPALVIDGZ-UDWIEESQSA-N 476.985 6.280 50 10 JKGE COc1cccc(/C=N/NC(=O)c2ccc(OCc3ccc(Cl)cc3Cl)cc2)c1OC 48573788 MKZRMZQZKVRWON-LGJNPRDNSA-N 459.329 5.354 50 10 JKGE COc1cccc([C@H](C(=O)NC2CCCCC2)N(CCc2ccc(Cl)cc2)C(=O)CCl)c1 97915130 XRTSAPUFRPAJSN-XMMPIXPASA-N 477.432 5.149 50 10 JKGE CC1=C(C#N)C(=O)N(CCc2ccccc2)C(=O)/C1=C/Nc1ccc(/N=N/c2ccccc2)cc1 101233688 KJOPOPGBGKMWCH-TZSBJDCCSA-N 461.525 5.849 50 10 JKGE CC1=C(C#N)C(=O)N(Cc2ccccc2)C(=O)/C1=C/c1ccc(OCc2ccc(Cl)cc2)cc1 101335160 NGJYHUDHYYRMBN-MFKUBSTISA-N 468.940 5.711 50 10 JKGE N#C/C(=C/Nc1ccc(Br)cc1F)c1nc(-c2ccc(Cl)c(Cl)c2)cs1 102937469 IEBUNEABVYFSKR-FLIBITNWSA-N 469.166 6.995 50 10 JKGE Clc1cc(Br)ccc1[C@H](Cl)c1cc(Br)sc1Br 104024783 BWKFPZHYAVUURI-JTQLQIEISA-N 479.846 7.017 50 10 JKGE Cc1ccccc1N/C(SCc1ccc(Cl)cc1)=C(\C#N)C(=O)NCc1cccs1 105422550 NHIPRXDYPTUYMC-ATJXCDBQSA-N 454.020 6.107 50 10 JKGE Br[C@@H]1CC[C@H](c2ccccc2)C[C@H]1Cc1ccc(I)cc1 115904860 DAAXAJYIQUGFHF-YQVWRLOYSA-N 455.177 6.181 50 10 JKGE Brc1ccc([C@H](Br)c2csc(I)c2)s1 118884121 BWVDBVHLEOOZQE-SECBINFHSA-N 463.985 5.661 50 10 JKGE CCOc1cc(Cl)c([C@@H](Br)c2cc(C)ccc2Br)cc1Cl 164565748 OVWAVVLHTIXUKC-INIZCTEOSA-N 453.001 6.947 50 10 JKGE C/C(=C/CCC(C)C)[C@H]1CC[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@]12C 204860483 NRNJQXSSKFRUBY-PSVNIUTNSA-N 498.912 10.338 50 10 JKGE CCCSc1ccc(-c2nn(-c3ccccc3)cc2/C=C2\C(=O)N(C(C)C)C(=O)C(C#N)=C2C)cc1 214250034 SLDMEHSOOKGFIT-XYGWBWBKSA-N 496.636 6.042 50 10 JKGE CCCCCOc1ccc(/C=C2\C(=O)N(CCc3ccc(OC)c(OC)c3)C(=O)C(C#N)=C2C)cc1 214373441 REWAESTXQXDFMM-ULJHMMPZSA-N 488.584 5.108 50 10 JKGE Cc1sc([C@H](Br)c2ccc(Br)c(C(F)(F)F)c2)cc1Br 227833829 IACDZQXJTMIYEV-GFCCVEGCSA-N 492.980 7.085 50 10 JKGE COc1cc(F)c(Br)cc1[C@@H](Cl)c1cc(Cl)ccc1I 234877209 HOWKVBQKBXZILW-AWEZNQCLSA-N 489.937 6.183 50 10 JKGE Cc1cc([C@H](Cl)c2cc(Br)ccc2I)cc(C)c1F 235879336 MMROMNFMVJHPHW-AWEZNQCLSA-N 453.520 6.138 50 10 JKGE Fc1cc(Br)c(Cl)cc1[C@H](Br)c1cc(Cl)cc(Br)c1 236230306 WEGFSYCGBUDVHX-CYBMUJFWSA-N 491.807 7.142 50 10 JKGE C[C@@H]1C[C@H](O[C@H](CI)c2cccc(Br)c2)CC(C)(C)C1 253127949 MRTMDBUBKFUAFB-UHOFOFEASA-N 451.186 6.157 50 10 JKGE COc1ccc(C=NN(C(=O)c2ccc(C)cc2)c2oc(-c3ccc(C)cc3)nc2C#N)cc1 254386817 NQIXMROSZSCJPO-UHFFFAOYSA-N 450.498 5.520 50 10 JKGE O=C(NN=C1C[C@@H](c2ccccc2)Oc2ccccc21)c1cc(-c2ccc(F)cc2)nc2ccccc12 254843905 BUVVSCXNHCHUAD-PMERELPUSA-N 487.534 6.699 50 10 JKGE CC[C@H]1CCCC[C@H]1Oc1c(Br)cc(Br)cc1CBr 311967906 MMIGRQDDSGBRSW-IINYFYTJSA-N 455.028 6.454 50 10 JKGE ClCc1nc2ccc(Cl)cc2n1-c1cc(Br)ccc1I 380052700 RPSSIAUSDIGZPM-UHFFFAOYSA-N 481.946 5.785 50 10 JKGE C[C@H](Cl)c1nc2cc(Br)c(F)cc2n1C1CCN(Cc2ccccc2)CC1 382680535 BHJVIQVRQWHWDQ-AWEZNQCLSA-N 450.783 6.075 50 10 JKGE Cc1cc(COc2c(Br)cc(CBr)cc2Br)cs1 385144365 XMCOTJHLVIRPIE-UHFFFAOYSA-N 455.009 6.055 50 10 JKGE C[C@H]1C[C@@H](n2c(CCCl)nc3cc(F)c(Br)cc32)CN1Cc1ccccc1 398233112 XQYMFZSZCUYYHE-GOEBONIOSA-N 450.783 5.555 50 10 JKGE Fc1cc(Br)c([C@H](Br)c2ccc(Br)s2)c(F)c1F 398538521 UCUDXICBUDHZNC-SECBINFHSA-N 464.926 6.175 50 10 JKGE CC(C)(C)[Si](C)(C)OCCc1ccccc1[C@@H]1COCCN1S(=O)(=O)c1ccccc1 616642769 VMKUXUGRQUNCDI-QHCPKHFHSA-N 461.700 5.013 50 10 JKGE COC[C@@H](CC(CBr)(CBr)c1cccc(Br)c1)C(C)C 721849437 ABRBLPWHZVDGDB-CYBMUJFWSA-N 471.071 5.785 50 10 JKGE CCCOc1ccc(C(=O)N2CCN(c3ccc(NC(=O)CCCCl)cc3Cl)CC2)cc1 953016499 RFMSHMHUCHKRRX-UHFFFAOYSA-N 478.420 5.049 50 10 JKGE COC(=O)/C(C#N)=C\c1cc(Br)c(OCc2ccc(Cl)cc2Cl)c(OC)c1 1081085470 XHJBHFIUWATSGJ-ACAGNQJTSA-N 471.134 5.423 50 10 JKGE O=C(/C=C\c1cc(Br)ccc1OCc1ccccc1)Oc1ccc([N+](=O)[O-])cc1 1082441551 QRGFCUMEVZLUOX-MLPAPPSSSA-N 454.276 5.555 50 10 JKGE COc1cc(C=NNC(=O)CSCc2ccccc2Cl)ccc1OCc1ccc(C(=O)O)cc1 1084091435 PUSPVWRKPUOWNE-UHFFFAOYSA-N 498.988 5.009 50 10 JKGE Cc1cc(C=NNC(=O)c2ccccc2Br)c(C)n1-c1ccccc1Br 1084166998 AQWJJMSZNXBJOS-UHFFFAOYSA-N 475.184 5.383 50 10 JKGE CCCCCOc1ccccc1C(=O)NN=C1C(=O)N(Cc2ccccc2Cl)c2ccccc21 1084365269 SUMWNJNREZQGKN-UHFFFAOYSA-N 475.976 5.590 50 10 JKGE COc1c(C(=O)NN=Cc2ccc(Oc3ccc([N+](=O)[O-])cc3[N+](=O)[O-])cc2)ccc2ccccc12 1084644996 RXYKBYSSDFVAMV-UHFFFAOYSA-N 486.440 5.221 50 10 JKGE COc1cccc(C=NNC(=O)CSc2nc3ccccc3[nH]2)c1OCc1ccc(Cl)cc1 1772760602 XPVZYXHLMKMOIN-UHFFFAOYSA-N 480.977 5.046 50 10 JKGE CCCn1nc(-c2ccc(OC)cc2)c2c1OC(N)=C(C#N)[C@H]2c1c(OC)ccc2ccccc12 1865687874 CBZCDZMJJDCEQQ-DEOSSOPVSA-N 466.541 5.349 50 10 JKGE CCCc1nn(Cc2c(F)cccc2Cl)c2c1[C@@H](c1ccc(OCC)c(OC)c1)C(C#N)=C(N)O2 1865696220 YOWUAVZYEKWHFJ-QHCPKHFHSA-N 496.970 5.302 50 10 JKGE Cc1ccc(C(=O)CCC(=O)N[C@@H](Cc2ccccc2)C(=O)Nc2ccc(SC#N)cc2)c(C)c1 1867089819 CGAJFNHNQKMTGO-VWLOTQADSA-N 485.609 5.206 50 10 JKGE CCCC[C@@H](NC(=O)C[C@@H](CC(C)C)c1ccc(F)cc1)C(=O)Nc1ccc(SC#N)cc1 1867105458 VWEBQZNJKXCOLK-HYBUGGRVSA-N 469.626 6.232 50 10 JKGE CCC[C@@H](NC(=O)C[C@@H](c1ccccc1)c1ccc(F)c(F)c1)C(=O)Nc1ccc(SC#N)cc1 1867116246 ACIJCYVZUZCQOA-WIOPSUGQSA-N 493.579 5.984 50 10 JKGE CN1CCN(c2cc(Nc3ccc(SC#N)cc3)nc(-c3ccccc3)n2)C[C@@H]1c1ccccc1 1868364901 HGJKHVVCJPTGQV-RUZDIDTESA-N 478.625 5.953 50 10 JKGE N#C/C(=C(/O)[C@@H]1CC(=O)N(Cc2ccccc2)C1)c1nc(-c2ccc(-c3ccccc3)cc2)cs1 1872743662 GDTFIXUZZGGERP-UPIHBEMDSA-N 477.589 6.318 50 10 JKGE CCCCc1ccc(N2C[C@H](/C(O)=C(\C#N)c3nc(-c4ccc(C(C)C)cc4)cs3)CC2=O)cc1 1872751764 FHNYASJLVDIKDD-QHQUTPPRSA-N 485.653 7.122 50 10 JKGE COc1c(Cl)cc(Cl)cc1-c1csc(/C(C#N)=C(\O)C23CC4CC(CC(C4)C2)C3)n1 1872754312 MVDHJVGOLRTGFU-FXBPSFAMSA-N 461.414 7.135 50 10 JKGE COc1ccc(-c2csc(/C(C#N)=C(\O)CCCN3C(=O)c4ccccc4C3=O)n2)c2ccccc12 1872758892 VRJKVDYEFLLZSA-GYHWCHFESA-N 495.560 5.841 50 10 JKGE CCCCCOc1ccc(/C=C(\C#N)c2nc(-c3cccc(Br)c3)cs2)cc1OC 1872784318 JZZBQELWAPWGDZ-XDHOZWIPSA-N 483.431 7.214 50 10 JKGE CCOc1cc(/C=C(\C#N)c2nc(-c3ccc(F)cc3F)cs2)ccc1OCc1ccccc1C 1872784547 SWFAXWMBXBJJPZ-CIAFOILYSA-N 488.559 7.439 50 10 JKGE COc1ccc(-c2csc(/C(C#N)=C/c3ccc(OCc4ccc(Cl)cc4)cc3)n2)c(C)c1C 1872793179 MFOSZGCTAQQPKW-HYARGMPZSA-N 487.024 7.732 50 10 JKGE C[C@](F)(CO[C@@H](CI)c1ccccc1Br)C(F)(F)F 1876652487 XFXLMGMFJINWTI-QWRGUYRKSA-N 455.027 5.232 50 10 JKGE CC1(C)[C@@H](OCc2ccccc2)C[C@@H]1n1c(CCl)nc2c(Br)cc(F)cc21 1912665072 RUCZPWNIYPNARO-ROUUACIJSA-N 451.767 6.233 50 10 JKGE CC(C)[C@H](CBr)N(Cc1ccccc1)C(=O)c1cc(Br)cc([N+](=O)[O-])c1 1915269325 AENIIKCQZWNQPF-SFHVURJKSA-N 484.188 5.419 50 10 JKGE O=C(c1cc(Br)c(Br)s1)N1CC[C@]2(CCC[C@H]2Br)C1 1918917269 RVGMKIRDYKQCDM-ZWNOBZJWSA-N 472.040 5.053 50 10 JKGE Cc1cc(Br)c(F)c([C@H](Cl)c2sc(Br)c(C)c2Br)c1 1922906039 FSQCEQWBFBXMFN-JTQLQIEISA-N 491.445 7.120 50 10 JKGE Fc1ccc([C@@H](Br)c2c(Br)sc(Br)c2Cl)c(F)c1 1923037527 DJRYDCVJULLOGW-MRVPVSSYSA-N 481.381 6.689 50 10 JKGE C[C@H](c1ccncc1Br)[C@H](Cl)c1cc(Br)c(Br)s1 1924036363 NLNDNFTWDPAOQQ-KBUNVGBDSA-N 474.443 6.514 50 10 JKGE F[C@@H]1CC[C@@H]([C@H](Cl)c2c(Br)sc(Br)c2Br)C1 1924570683 LSVVAMZWBKFJJU-LRMHIPNDSA-N 455.412 6.454 50 10 JKGE Fc1cccc([C@@H](Cl)c2c(Br)sc(Br)c2Br)c1Cl 1924593834 IEPRTVRIBCCCJP-SECBINFHSA-N 497.836 7.156 50 10 JKGE CCc1sc(Br)cc1[C@H](Br)c1cc(Br)sc1C 1946647469 GOAOHCRUWABGFS-GFCCVEGCSA-N 459.066 6.690 50 10 JKGE Clc1c(Br)sc(Br)c1[C@@H](Br)CC1CCOCC1 2003878128 SLECPNUFVHDOOR-ZETCQYMHSA-N 467.448 6.179 50 10 JKGE CC12COC([C@H](Cl)c3c(Br)sc(Br)c3Br)(C1)C2 2025087484 HOHBVRWTPNSPBO-CAZGOSDBSA-N 465.432 5.885 50 10 JKGE CCc1sc(Br)cc1[C@H](Br)c1c(Br)cnn1CC 2033246769 QMSUQGNJOYPMKL-NSHDSACASA-N 457.029 5.536 50 10 JKGE CC1(C)C[C@H](C[C@@H](Cl)c2c(Br)sc(Br)c2Br)CO1 2041482295 JYBKKRBDOUIPIX-NKWVEPMBSA-N 481.475 6.521 50 10 JKGE Brc1cc([C@@H](Br)[C@@H]2CCCCC23CCC3)sc1Br 2053372930 ZRTDFYDYEKPPLL-CABZTGNLSA-N 457.069 7.070 50 10 JKGE N#CC(=Cc1cn(-c2ccccc2)nc1C12CC3CC(CC(C3)C1)C2)c1nc(O)c2ccccc2n1 2053498339 LLELSZPRNDYNHV-UHFFFAOYSA-N 473.580 6.053 50 10 JKGE CCN(C[C@](C)(CI)OCCC(C(C)C)C(C)C)C(=O)OC(C)(C)C 2068953741 ULNDIQIXVQOQLT-FQEVSTJZSA-N 469.448 5.772 50 10 JKGE CCN(C[C@](C)(CBr)OCc1cc(Cl)ccc1Br)C(=O)OC(C)(C)C 2080305150 RFCDBOGPJLCQBZ-SFHVURJKSA-N 499.671 6.030 50 10 JKGE Cc1cc(Cl)c([C@@H](Br)c2ccc(I)cc2)cc1Cl 2081590233 UPTWIDUASAMBNX-AWEZNQCLSA-N 455.948 6.391 50 10 JKGE Cc1cc(F)c(F)cc1[C@H](Br)c1cc(Br)sc1Br 2083954085 TWACCVWCYZMOLJ-NSHDSACASA-N 460.963 6.344 50 10 JKGE BrC[C@H](Cc1c(Br)cccc1Br)C1CCCCCC1 2094100564 SRVCLYHNXOKVQI-ZDUSSCGKSA-N 453.056 6.736 50 10 JKGE C[C@@H]1CC[C@@H](C(C)(C)c2c(Br)cccc2Br)[C@H](Br)C1 2094132954 BEDCHCIGEVWLBI-JTNHKYCSSA-N 453.056 6.689 50 10 JKGE COc1ccc(Br)cc1[C@@H](Br)c1nn(C)c(Cl)c1Br 2110726511 DNCZJBHSTGFNAR-SECBINFHSA-N 473.390 5.091 50 10 JKGE ClCCc1nc2cc(Cl)c(Br)cc2n1[C@H]1CC[C@@H]1OCc1ccccc1 2112696789 PTQOISWMBTTXPZ-HKUYNNGSSA-N 454.195 6.154 50 10 JKGE Fc1cccc([C@@H](Br)CCc2cccc(Br)c2Br)c1 2113381322 IOXWGQMLZSLKDD-ZDUSSCGKSA-N 450.971 6.420 50 10 JKGE FC1(F)C2(CCC2)[C@@]1(CBr)Cc1ccc(I)c(Cl)c1 2142940511 OBULBZMHCZZKGF-ZDUSSCGKSA-N 461.515 5.688 50 10 JKGE Cc1ccccc1C[C@@H](CBr)Cc1cccc(Br)c1Br 2148750173 GGTGHKYBYQISBV-CYBMUJFWSA-N 461.035 6.316 50 10 JKGE O=C(c1cc(Br)c(Br)s1)N1CCC2(CCC(Br)CC2)C1 2155999542 BIVWFXREYASNCY-UHFFFAOYSA-N 486.067 5.443 50 10 JKGE Fc1cc(Cl)c(Br)cc1[C@@H](Br)c1ccsc1C(F)(F)F 2157624117 GMIFMHCAFXPNDG-JTQLQIEISA-N 452.492 6.806 50 10 JKGE CCc1ncc(CC(CBr)(CBr)c2ccc(Br)cc2)s1 2172942354 KJWYPFIBCVETTC-UHFFFAOYSA-N 482.079 5.738 50 10 JKGE Cc1cc(Br)c(C(=O)N[C@@H](C)CCCCCI)cc1Cl 2174526391 JKCJJRGFZYODMG-NSHDSACASA-N 472.592 5.525 50 10 JKGE O=C(NCC[C@@H]1CCCC[C@H]1Br)c1c(Br)cccc1Br 2179629872 PQVQWLOXXFARIJ-WDEREUQCSA-N 468.027 5.285 50 10 JKGE COc1cc(C)c([C@@H](Cl)c2cccc(C)c2I)cc1Br 2198731773 BHJGPBMDNMGZRM-HNNXBMFYSA-N 465.556 6.007 50 10 JKGE CCCCCCCCCC[C@@H](Br)c1ccc(Br)cc1Br 2203686777 VFJRKWZYDHCZAW-MRXNPFEDSA-N 469.099 8.178 50 10 JKGE COC[C@]12C[C@]([C@@H](Br)c3cc(Br)c(C)cc3Br)(CO1)C2 2206079005 RGHRPVKOJCGDIX-KKUMJFAQSA-N 469.011 5.152 50 10 JKGE COc1cc(C)c(Br)cc1[C@H](Cl)c1ccc(I)c(C)c1 2207100440 BUEPVVMARBGZJZ-MRXNPFEDSA-N 465.556 6.007 50 10 JKGE Cc1cc([C@@H](Cl)c2cc(Br)cc3c2OCC3)ccc1I 2207100778 DGBMJKPDOCVLBO-OAHLLOKOSA-N 463.540 5.625 50 10 JKGE CC[C@H](Br)CN(Cc1ccccc1)C[C@@H]1CC1(Br)Br 2208984630 YSKFOAKZEZDKSL-KBPBESRZSA-N 454.044 5.168 50 10 JKGE ClCc1nc2cc(Br)c(Br)cc2n1[C@H]1CC[C@@H]1OCc1ccccc1 2218660362 UTUWIBOHOGJRTF-WMZOPIPTSA-N 484.619 6.220 50 10 JKGE Cc1sc(Br)c(C)c1[C@H](Br)c1cc(Br)ccc1Cl 2218801201 RWAXVWBDFXBFCH-GFCCVEGCSA-N 473.455 7.028 50 10 JKGE Cc1cc(Br)c([C@H](Cl)c2cc(Br)c(C)s2)cc1Br 2218970780 UTMWGDIPMYKNNQ-ZDUSSCGKSA-N 473.455 6.981 50 10 JKGE Fc1cc(Br)c(Br)cc1[C@@H](Br)CC1CCCCCC1 2225615770 LIFHIGUEKPHKFO-LBPRGKRZSA-N 457.019 7.147 50 10 JKGE Fc1cc(F)c([C@@H](Cl)c2ccc(I)cc2)c(F)c1Br 2227798641 BALOIAYPAIDDRM-LBPRGKRZSA-N 461.446 5.799 50 10 JKGE Cc1cc(Br)c([C@H](Br)c2csc3c(Br)cccc23)s1 2229326174 SKKWZMCTPHVYJP-GFCCVEGCSA-N 481.072 7.281 50 10 JKGE CC1(C)CN(Cc2cc(Br)ccc2Br)C[C@H]1CCBr 2230156044 TWAKCTAPWTUMMJ-GFCCVEGCSA-N 454.044 5.455 50 10 JKGE Cc1cc(C)c(C)c([C@@H](Br)c2cc(Br)c(Br)cc2F)c1 2233973990 CKSMJUGYLJJSSL-MRXNPFEDSA-N 464.998 6.760 50 10 JKGE Fc1cc(Br)c(Br)cc1[C@@H](Br)[C@@H]1C[C@H]2COC[C@H](C2)C1 2233981596 KPYSBBVHWZCWTB-FHTCGPRVSA-N 471.002 5.849 50 10 JKGE Cc1cc(Br)c([C@H](Br)[C@@H]2C[C@@]23CCCOC3)c(C)c1Br 2235612519 PIQWNEPTGPCATQ-IUIKQTSFSA-N 467.039 6.081 50 10 JKGE COc1cc(Br)c([C@H](Cl)c2cc(I)ccc2F)cc1C 2236003025 PFSCQGVLGVBVLJ-HNNXBMFYSA-N 469.519 5.838 50 10 JKGE Cc1sc([C@H](Cl)c2c(Br)cc(Cl)c(Cl)c2Cl)c(Br)c1C 2237633360 KMNSYJDZFIGYCQ-GFCCVEGCSA-N 497.894 8.178 50 10 JKGE Clc1cc(Br)cc([C@@H](Br)c2ccc3c(c2Br)CCO3)c1 2238081554 GWOUIMKKUACSTN-CQSZACIVSA-N 481.409 6.284 50 10 JKGE Clc1cc(Br)ccc1[C@H](Br)c1ccc2c(c1Br)CCO2 2238082426 ODJVZRBGSMDBNC-AWEZNQCLSA-N 481.409 6.284 50 10 JKGE Cl[C@@H](c1cc2sc(Br)cc2s1)c1cscc1OCc1ccccc1 2252904012 AFBDXTFITIPEEX-GOSISDBHSA-N 455.851 7.694 50 10 JKGE Cc1sc([C@H](Br)c2ccc(F)cc2Br)c(Br)c1C 2253472937 IEIBLJZIFSBBEM-GFCCVEGCSA-N 457.000 6.513 50 10 JKGE FC1(F)C[C@H]([C@@H](Br)c2sc(Br)cc2Br)C12CCC2 2254861392 OODOUYVAXLVTDC-HZGVNTEJSA-N 464.995 6.535 50 10 JKGE Cc1nscc1[C@H](Br)c1c(F)cc(Br)c(F)c1Br 2260006786 WSJRHOAGEUBPKZ-VIFPVBQESA-N 461.951 5.739 50 10 JKGE CC1(C)[C@H]2CO[C@@]1([C@H](Cl)c1c(Br)sc(Br)c1Br)C2 2260653961 DXBXJPIHEYSORX-XIGBOZDYSA-N 479.459 6.131 50 10 JKGE CC(C)c1cc(Br)cc([C@@H](Br)c2cc(Br)c(Cl)s2)c1 2265967419 OQSJUDZWXUXYHU-CYBMUJFWSA-N 487.482 7.534 50 10 JKGE Fc1cc(Cl)c([C@@H](Br)Cc2ncccc2Br)cc1Br 2270435885 BIHCTPHRPNZQNO-VIFPVBQESA-N 472.377 6.078 50 10 JKGE Fc1cc(Br)c(F)c(Br)c1[C@H](Br)[C@@H]1C[C@H]2CCC[C@@H]21 2272853995 CKBLEHCAOTZDCM-BSFVXNEUSA-N 458.966 6.362 50 10 JKGE Fc1cc(C[C@H](Cl)c2ccc(I)c(Br)c2)ccc1Cl 2277800522 AOUGQAGJJQDLFH-LBPRGKRZSA-N 473.938 6.369 50 10 JKGE BrCC(CBr)(CCc1ccccc1)Cc1ccc(Br)o1 2286714849 JUZHIZHWLOZHIK-UHFFFAOYSA-N 465.023 5.994 50 10 JKGE Cc1ccc(Cl)cc1NC(=O)C(C#N)=Cc1cn(Cc2ccccc2Cl)c2ccccc12 2294171905 IIXXXKCCXKHRRL-UHFFFAOYSA-N 460.364 6.851 50 10 JKGE COc1c(Br)cc(Cl)c(C)c1[C@H](Cl)c1scc(Br)c1C 2295356990 HPCVSQIZKFUZSB-LBPRGKRZSA-N 459.030 6.880 50 10 JKGE CCCCOc1ccc(-c2nn(-c3ccccc3)cc2C=C(C#N)c2nc3ccccc3s2)c(C)c1 2296706044 PONAOCIMROIFRV-UHFFFAOYSA-N 490.632 7.701 50 10 JKGE CCOc1cc(C=C(C#N)C(=O)Nc2ccc([N+](=O)[O-])cc2Cl)cc(Br)c1OCC 2297551420 IWNLXYHVEGCHGR-UHFFFAOYSA-N 494.729 5.354 50 10 JKGE COc1cc(C=C(C#N)c2nc3ccc(C)cc3[nH]2)ccc1Oc1ccc([N+](=O)[O-])cc1C#N 2297604858 OPJMYFLCJCJCND-UHFFFAOYSA-N 451.442 5.516 50 10 JKGE Brc1ccc(OCc2ccccc2)c([C@@H](Br)[C@H]2C[C@@H]3C[C@@H]3CO2)c1 2299525971 SWFVQCDSLJXWFQ-KQEPKPNTSA-N 452.186 5.889 50 10 JKGE FC1(F)CCC[C@@H]1[C@H](Br)c1cc(Br)ccc1OCc1ccccc1 2299535513 PQFQRYDPABHCHU-SJLPKXTDSA-N 460.156 6.900 50 10 JKGE CC[C@@](C)(C(F)F)[C@@H](Cl)c1c(Br)sc(Br)c1Br 2299825511 MRFRSBVEFHWOMK-QUBYGPBYSA-N 475.418 6.997 50 10 JKGE FC(F)(F)C1CC([C@@H](Br)c2sc(Cl)cc2I)C1 2301088441 IGGSAQVOBFESAU-MPKXYMLHSA-N 459.496 6.031 50 10 JKGE CCCCc1ccc(-n2c(C)cc(C=C(C#N)C(=O)N3CCN(c4ccccc4)CC3)c2C)cc1 2313566915 DGZGTIOMHOFVEG-UHFFFAOYSA-N 466.629 5.693 50 10 JKGE Cc1c(C=C(C#N)C(=O)N2CCN(c3ccccc3)CC2)c2ccccc2n1Cc1ccccc1Cl 2313567927 PTYHCFRCGWQCSN-UHFFFAOYSA-N 495.026 5.907 50 10 JKGE Fc1cc(Cl)c(Br)c(Cl)c1[C@@H](Br)c1cc(Br)sn1 2313813214 IBXZGWDVPTVSKB-VIFPVBQESA-N 498.824 6.598 50 10 JKGE CC1=C(C#N)C(=O)N([C@@H](C)c2ccccc2)C(=O)C1=Cc1ccc(-c2ccc(Cl)cc2Cl)o1 2314617814 BJLLYEMZYDPKCL-INIZCTEOSA-N 477.347 6.607 50 10 JKGE Cc1cc(Br)c(F)c(Br)c1[C@H](Br)[C@]1(C)CC1(F)F 2317422050 GVXLKNCCYKWVAS-QWRGUYRKSA-N 450.918 6.140 50 10 JKGE Cc1cc(I)ccc1NC(=O)C(C#N)=CNc1ccc(Cl)c(Cl)c1 2325405749 NPQTYQKYBNGRKI-UHFFFAOYSA-N 472.113 5.365 50 10 JKGE N#CC(=Cc1ccc(Br)cc1)C(=O)NC1(c2ccc(Br)cc2)CCC1 2329659688 DISYCDCFMSLMDG-UHFFFAOYSA-N 460.169 5.314 50 10 JKGE CCOc1ccc(-c2csc(C(C#N)=C(O)c3cc([N+](=O)[O-])cc([N+](=O)[O-])c3)n2)c(OCC)c1 2331389174 AKAOZFDNXAYSCK-UHFFFAOYSA-N 482.474 5.374 50 10 JKGE COc1ccc(OCC(O)=C(C#N)c2nc(-c3cc(Cl)cc(C)c3OC)cs2)c(C(C)(C)C)c1 2331392366 WTTKGZPORNTYAW-UHFFFAOYSA-N 499.032 6.958 50 10 JKGE CCOc1cc(C=C(C#N)c2nc(-c3ccccc3)cs2)ccc1OCC(=O)N(CC)CC 2331440434 RRRPQJQZCCALSA-UHFFFAOYSA-N 461.587 5.520 50 10 JKGE COc1c(C)cc(Cl)cc1-c1csc(C(C#N)=Cc2ccc(OCc3ccccc3C)cc2)n1 2331474448 IFMHZFIGWXZKKO-UHFFFAOYSA-N 487.024 7.732 50 10 JKGE CC1(C)C[C@H]([C@H](Br)c2c(Cl)cc(Br)c(F)c2Br)CO1 2337084568 MQTMFTLTKKHJMM-WKEGUHRASA-N 479.409 6.255 50 10 JKGE CCCc1sc(Br)cc1[C@@H](Cl)c1cc(Br)ccc1Br 2338023806 LOPDPDRRIKOTSC-AWEZNQCLSA-N 487.482 7.316 50 10 JKGE Cc1coc(C)c1[C@@H](Br)c1c(C)cc(Br)c(F)c1Br 2339655512 ZOURECNDIRJJMJ-GFCCVEGCSA-N 454.959 6.353 50 10 JKGE CCCO[C@H]1[C@@H](OCc2c(Br)cccc2Br)C[C@H]1Br 2340568433 PZNSKYBLRZBCHO-HZSPNIEDSA-N 457.000 5.059 50 10 JKGE Cc1cccc(CBr)c1OCc1ccc(I)c(Br)c1 2349805954 JLUWIFPWRZYDLN-UHFFFAOYSA-N 495.980 5.836 50 10 JKGE CN(Cc1ccc(I)c(Br)c1)[C@@H](CCCl)C(F)(F)F 2349857737 CTOHKGDHAOKTGE-NSHDSACASA-N 470.498 5.045 50 10 JKGE Fc1cc(Cl)c(Br)c(Cl)c1[C@@H](Br)c1cc(Cl)cc(Cl)c1 2360427329 UAROLHBDVJVENA-NSHDSACASA-N 481.801 7.686 50 10 JKGE Fc1ccc([C@@H](Cl)c2c(Cl)cc(Br)c(F)c2Br)c(Cl)c1 2362223437 HVTQGHZCOAXZLB-GFCCVEGCSA-N 465.346 7.125 50 10 JKGE Fc1c(Br)cc(Cl)c([C@@H](Br)[C@H]2CC[C@H]3C[C@H]2CO3)c1Br 2362224284 KSKGDQOLWMPRES-QZOVBDONSA-N 491.420 6.255 50 10 JKGE COc1c(Br)cc(Cl)c(C)c1[C@@H](Br)c1c(Br)ncn1C 2362478946 QRFIICKKLNTHAO-SNVBAGLBSA-N 487.417 5.400 50 10 JKGE Cc1cc(Br)c(F)c(Br)c1[C@H](Br)[C@@H]1C[C@H]1C1CCCC1 2365195029 XUXQPCQGBJWAJN-MISXGVKJSA-N 469.030 6.921 50 10 JKGE CCOc1ccccc1N/C(SCc1cc(F)ccc1F)=C(/C#N)C(=O)NCc1ccccc1 3052500 MQUCEDCNVOMKAK-YYADALCUSA-N 479.552 5.760 50 10 JKGE CC[C@H](C)c1ccccc1O[C@H](C)C(=O)NNC(=O)COc1ccc2ccccc2c1Br 9872314 OXEBFOKTAYHQRU-DLBZAZTESA-N 499.405 5.110 50 10 JKGE CCCCOc1ccc(C(=O)NNC(=O)c2ccc(Cl)cc2Cl)cc1Br 14041245 ZCJPCRKYIBDNDI-UHFFFAOYSA-N 460.155 5.010 50 10 JKGE CC[C@@H](C)c1ccccc1OCC(=O)NNC(=O)COc1ccc(C(C)(C)C)cc1C(C)(C)C 14661611 OUCVQVWCMICVNH-LJQANCHMSA-N 468.638 5.400 50 10 JKGE C/C(=N/NC(=O)COc1ccc(C(C)C)cc1Br)c1ccc(-c2ccccc2)cc1 33422994 QVVAIFSNCTTWPN-IMRQLAEWSA-N 465.391 6.159 50 10 JKGE Cc1cc(OCC(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@@H]3c2cccc(F)c2)cc(C)c1Cl 38678175 IPWHRSABVAVBHW-XMMPIXPASA-N 478.907 5.299 50 10 JKGE COC(=O)c1ccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4ccc(C(C)(C)C)cc4)ccc32)cc1 38683206 BKVSMQQLXZQVRB-RUZDIDTESA-N 482.536 5.208 50 10 JKGE CCCOc1cccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)[C@H](C)Oc4ccc(F)cc4)ccc32)c1 38684449 ANVFVJYBYRPMBP-QLXKLKPCSA-N 488.515 5.206 50 10 JKGE Cc1ccc(Oc2nc3c(C)cccn3c(=O)c2/C=C(\C#N)C(=O)Nc2ccc(C)c(C)c2)c(C)c1 39993147 DZFDODDPABFXBX-PXLXIMEGSA-N 478.552 5.575 50 10 JKGE COc1cccc(/C=C(/C#N)C(=O)Nc2ccc(Cl)cc2)c1OCc1ccc(Br)cc1 59116876 VTNHXUVSMGHIOS-AQTBWJFISA-N 497.776 6.236 50 10 JKGE COC(=O)CC[C@H](C)[C@@H]1CC[C@H]2[C@H]3CC=C4C[C@H]5CC[C@]4(C)[C@@]3(O5)C(=O)[C@H](Br)[C@]12C 59489148 ZOLSFJBCIQJBLX-JGOKEIIKSA-N 479.455 5.229 50 10 JKGE COc1ccc(/C=N/NC(=O)c2cccc(Br)c2)cc1COc1ccc([N+](=O)[O-])c(C)c1 96286799 QAZOGTVVGFCRFY-DHRITJCHSA-N 498.333 5.017 50 10 JKGE CC(C)[C@@H](CBr)COc1c(Br)cc([N+](=O)[O-])cc1Br 96871148 JLLYJYOAFDTPBP-QMMMGPOBSA-N 459.960 5.166 50 10 JKGE CCCCCCOc1ccc([C@H](C(=O)NC2CCCCC2)N(Cc2ccccc2)C(=O)CCl)cc1 97915144 IOLYURIVQXJAQC-MUUNZHRXSA-N 499.095 6.403 50 10 JKGE Cc1ccc(N2C(=O)[C@H](Cc3ccc(F)cc3)S/C2=C(/C#N)C(=O)Nc2ccccc2)cc1C 101244817 UKYKFSHVISSTNU-FYAMCCBRSA-N 471.557 5.508 50 10 JKGE N#C/C(=C/Nc1ccc(Cl)cc1C(=O)c1ccccc1)c1nc(-c2cccc([N+](=O)[O-])c2)cs1 102416511 KKOABPXPCDZFAF-JXAWBTAJSA-N 486.940 6.579 50 10 JKGE CCOC(=O)/C(C#N)=C\c1cc(Br)ccc1OCc1ccc(Cl)cc1Cl 113836545 VNHRRKHLJYFZIX-AUWJEWJLSA-N 455.135 5.805 50 10 JKGE CCCCCCCCC(CBr)(CBr)c1cccc(Br)c1 118878665 ZGYLTXBSHXJJDW-UHFFFAOYSA-N 469.099 7.227 50 10 JKGE O=C(N[C@H](CBr)Cc1ccccc1)c1cc(Br)c(Br)s1 122427637 UMYWTWTVKLQSKY-JTQLQIEISA-N 482.035 5.009 50 10 JKGE CCOc1cc(Cl)c([C@@H](Cl)c2csc(I)c2)cc1OCC 124397693 IKHQWBSFYNCAKK-HNNXBMFYSA-N 457.160 6.132 50 10 JKGE CCOc1ccc([C@@H](Cl)c2csc(I)c2)c(Br)c1 126676135 GHRLZQPAPXLRIE-ZDUSSCGKSA-N 457.558 5.842 50 10 JKGE Cc1cc([C@H](Br)c2ccc(I)cc2)sc1Br 126778164 FZEJICCDNZVZLM-LLVKDONJSA-N 471.983 5.908 50 10 JKGE Brc1cc([C@H](Br)c2cc3c(s2)CCCCC3)sc1Br 128259021 ZITROKNNMSFEOZ-CYBMUJFWSA-N 485.104 7.088 50 10 JKGE CC(C)(C)n1c(CBr)nnc1-c1cc(Br)ccc1Br 161341378 MQMYRRPEXRFPRX-UHFFFAOYSA-N 451.988 5.120 50 10 JKGE COc1ccc([C@H](Cl)c2cc(I)ccc2Br)cc1Cl 234994691 AMMDYRVMHQCXJR-AWEZNQCLSA-N 471.947 6.044 50 10 JKGE Cc1cc([C@H](Br)c2cc(Br)cc(Br)c2)c(F)cc1F 235856897 FFZWQZFHZRUPLK-CQSZACIVSA-N 454.934 6.283 50 10 JKGE O=C(NN=Cc1ccccc1OCc1cccc2ccccc12)c1cc2cc([N+](=O)[O-])ccc2o1 254386373 MPOATDMKGHMDJW-UHFFFAOYSA-N 465.465 5.837 50 10 JKGE CC(=NNC(=O)[C@@H](Sc1ccccc1)c1ccccc1)c1cccc(NC(=O)C(F)(F)F)c1 254836210 RWYQITHRYKHHOA-NRFANRHFSA-N 471.504 5.561 50 10 JKGE CC(C)(C)c1cc(C=NNC(=O)c2cc(-c3ccccc3)nc3ccccc23)c(O)c(C(C)(C)C)c1 254852212 XDUHEYNSVPUQIJ-UHFFFAOYSA-N 479.624 6.966 50 10 JKGE Fc1c(Br)cccc1[C@@H](Cl)c1cc(I)cc2c1OCC2 380038865 YBXIHVLREVDRRV-CYBMUJFWSA-N 467.503 5.456 50 10 JKGE COc1ccc([C@@H](Br)c2ccc(OCc3ccccc3)cc2)cc1Br 381446685 OGFFLAOYRWEOLA-NRFANRHFSA-N 462.181 6.521 50 10 JKGE FC1(F)CCC[C@H]1COc1c(Br)cc(CBr)cc1Br 381506289 JZUJZGFLDAFRSG-VIFPVBQESA-N 462.954 5.921 50 10 JKGE CC1=CCCC(C)(C)[C@H]1/C=C\C(C)=NNC(=O)c1ccc(CSc2nc(C)cc(C)n2)cc1 606347403 BNOCNIRXTZIFLJ-KBCNHHJVSA-N 462.663 6.430 50 10 JKGE ClCCc1nc2cccc(Br)c2n1-c1cccc(I)c1 697731651 WMZISEBAWFBQSU-UHFFFAOYSA-N 461.528 5.174 50 10 JKGE BrCC(CBr)(CCc1ccns1)c1ccc(Br)cc1 719883960 BEMLXVWLNQQBCJ-UHFFFAOYSA-N 468.052 5.566 50 10 JKGE Cc1ccc(NC(=O)/C(C#N)=C\c2cc(Cl)ccc2OCc2cccc3ccccc23)cc1 725421726 CJDGVFRAUUVCPE-HAHDFKILSA-N 452.941 6.926 50 10 JKGE COc1ccc(/C=C(/C#N)C(=O)Nc2ccc(Cl)cc2)cc1OCc1ccccc1Cl 1084063312 DMHITHFHDACHOZ-PDGQHHTCSA-N 453.325 6.127 50 10 JKGE O=C(COc1ccc(Cl)cc1Br)NN=Cc1ccc(OCc2ccccc2)cc1 1084391685 JLDUQKWZYSPCPO-UHFFFAOYSA-N 473.754 5.211 50 10 JKGE CC(C)(C)N(NC(=O)Nc1cc(F)ccc1F)C(=O)c1cc(Cl)cc(OC(F)(F)F)c1 1088739062 UPLOQJSXBRJMNF-UHFFFAOYSA-N 465.806 5.494 50 10 JKGE Cc1c(C(=O)Nc2cccc(Cl)c2)oc2c1C(=NNC(=O)c1cccc(Cl)c1)CCC2 1772745801 HTCCJFZHFKVBSD-UHFFFAOYSA-N 456.329 5.618 50 10 JKGE Cc1c(C(=O)Oc2ccc(-c3ccc(C#N)cc3)cc2)oc2c1C(=NNC(=O)c1ccco1)CCC2 1772746823 GWNFSICXOAOXGA-UHFFFAOYSA-N 479.492 5.409 50 10 JKGE C=CCOc1ccccc1[C@H]1C(C#N)=C(N)Oc2c1c(C(F)(F)F)nn2Cc1cc(C)ccc1C 1865691478 SZJPOBYKSQBQES-NRFANRHFSA-N 480.490 5.350 50 10 JKGE CCCCCOc1ccc([C@H]2C(C#N)=C(N)Oc3c2c(CC)nn3-c2ccc(OC)cc2)cc1OC 1865695845 ICPSBXPCQZTVNC-VWLOTQADSA-N 488.588 5.239 50 10 JKGE COc1ccc(-c2nn(-c3cccc4ccccc34)c3c2[C@@H](c2ccccn2)C(C#N)=C(N)O3)cc1 1865699800 CVAQQRYNNFXQCR-RUZDIDTESA-N 471.520 5.314 50 10 JKGE COc1ccc([C@@H]2C(C#N)=C(N)Oc3c2c(-c2ccccc2)nn3Cc2c(F)cccc2Cl)cc1 1865713014 ONWDCRRVQVVCIN-HSZRJFAPSA-N 486.934 5.618 50 10 JKGE COc1ccc(-c2nn(-c3ccccc3Cl)c3c2[C@H](c2ccc(OC)cc2)C(C#N)=C(N)O3)cc1 1865713422 YUVBIYBXFQSCLK-HSZRJFAPSA-N 484.943 5.428 50 10 JKGE CCCc1nn(Cc2ccccc2Cl)c2c1[C@H](c1ccc(Br)cc1)C(C#N)=C(N)O2 1865714859 RSWBJVQZYBISJM-HXUWFJFHSA-N 483.797 5.518 50 10 JKGE C/C(=N/NC(=O)c1ccc(-c2ccc(Cl)cc2Cl)nc1C)c1ccc2c(c1)N(C)C(=O)[C@@H](C)O2 1865763312 FRSRNNLXBDKNTA-KSPJRYFCSA-N 497.382 5.262 50 10 JKGE CC(C)c1ccc([C@H](C(=O)N[C@H](Cc2ccccc2)C(=O)Nc2ccc(SC#N)cc2)C(C)C)cc1 1866965297 IGBZGHCVRWBARV-VSGBNLITSA-N 499.680 6.489 50 10 JKGE Cn1c(/C(C#N)=C/c2ccc(N3N=C(c4ccccc4)C[C@H]3c3ccccc3)cc2)nc2ccccc21 1872726816 NKVZRWVGENVPNM-CMDARFGASA-N 479.587 6.993 50 10 JKGE CCCCc1ccc(-c2csc(/C(C#N)=C(\O)[C@@H]3CC(=O)N(c4ccc(CCCC)cc4)C3)n2)cc1 1872744884 MYJWHWQRBHYPLZ-QNGMXQGTSA-N 499.680 7.341 50 10 JKGE CCCCc1ccc(-c2csc(/C(C#N)=C(\O)CNC(=O)c3ccc(Cl)cc3Cl)n2)cc1 1872745071 VFVNIKVEIXCEJB-QOCHGBHMSA-N 486.424 6.682 50 10 JKGE COc1ccc(-c2csc(/C(C#N)=C(O)/C=C/c3ccc(OCc4ccccc4)cc3)n2)cc1C 1872746497 KUZNKNNBPIADIB-JITMPZCVSA-N 480.589 7.212 50 10 JKGE CC(C)C[C@H](/C(O)=C(\C#N)c1nc(-c2c[nH]c3ccccc23)cs1)N1C(=O)c2ccccc2C1=O 1872753473 YUOOJPKTJKNPDZ-BVMVRAIASA-N 482.565 5.795 50 10 JKGE Cc1ccc(C(C)(C)C)cc1-c1csc(/C(C#N)=C(\O)[C@H](C)N2C(=O)c3ccccc3C2=O)n1 1872756210 UPEABEWFNQHEPR-FRKCRFBYSA-N 471.582 5.893 50 10 JKGE COc1cc(-c2csc(/C(C#N)=C(\O)c3ccc([N+](=O)[O-])c(C)c3)n2)c(OC)cc1Cl 1872756455 KOPRWDRVTAWPAQ-ZHZULCJRSA-N 457.895 5.647 50 10 JKGE Cc1cc(C)c(-c2csc(/C(C#N)=C(O)/C=C/c3ccc(OCc4ccccc4)cc3)n2)c(C)c1 1872756869 FFQBOAFCQXTDHS-ZTRLJESTSA-N 478.617 7.820 50 10 JKGE CCCCCOc1ccc(/C=C(\C#N)c2nc(-c3ccc(F)c(C)c3)cs2)cc1OCC 1872790897 KKMFPVRJLCCLPO-KGENOOAVSA-N 450.579 7.290 50 10 JKGE C[C@@H]1C[C@H](n2c(CCCl)nc3c(Br)cc(F)cc32)CN1Cc1ccccc1 1912653593 MTLMZKTYVYIEEA-PBHICJAKSA-N 450.783 5.555 50 10 JKGE Cc1nsc(Br)c1[C@H](Br)c1cc(Br)c2c(c1)CCO2 1912942904 QJBQAYKWLZCXFD-LLVKDONJSA-N 468.008 5.396 50 10 JKGE C[C@@H](CBr)N(Cc1ccccc1)C(=O)c1ccc(Br)cc1C(F)(F)F 1914226465 FQXWSIOCPLDDGO-LBPRGKRZSA-N 479.134 5.894 50 10 JKGE C[C@@H](CCBr)N(Cc1ccccc1)C(=O)Cc1ccc(Br)cc1F 1915096517 JYMNCYHBWNRTSQ-AWEZNQCLSA-N 457.181 5.333 50 10 JKGE Cc1ccccc1C[C@H](Br)c1sc(Br)c(C)c1Br 1922946040 MXMAZVCULDTXQV-NSHDSACASA-N 453.037 6.569 50 10 JKGE COc1cc(Cl)ccc1[C@H](Cl)c1c(Br)sc(Br)c1Cl 1923065296 ARGOSCIXWPCHNW-VIFPVBQESA-N 465.421 6.917 50 10 JKGE F[C@@H]1CC[C@H]([C@@H](Cl)c2c(Br)sc(Br)c2Br)C1 1924570682 LSVVAMZWBKFJJU-CPDSJTNBSA-N 455.412 6.454 50 10 JKGE CCc1ccsc1[C@@H](Cl)c1c(Br)sc(Br)c1Br 1924583485 KPWZLMPTMLJQPZ-QMMMGPOBSA-N 479.484 6.988 50 10 JKGE CCC(C)(C)C[C@H](Br)c1c(Br)sc(Br)c1Br 1924608789 NFMQRQGRARLGAW-LURJTMIESA-N 497.916 7.298 50 10 JKGE Cc1cc([C@H](Br)c2c(Cl)sc(Br)c2Cl)c(Br)s1 1951017140 YXCNUUXTLUDVTC-LURJTMIESA-N 499.902 7.434 50 10 JKGE Cc1sc(Br)c([C@H](Br)c2cc(I)sn2)c1C 1993989575 WUSNVFBDCIHUAX-SECBINFHSA-N 493.027 5.673 50 10 JKGE CCCC1([C@H](Br)c2c(Br)sc(Br)c2Cl)CCC1 2015637432 IWGWMJBMXUJLOY-SECBINFHSA-N 465.476 7.333 50 10 JKGE Cc1sc(Br)c([C@H](Br)Cc2ccc(Br)cc2)c1C 2039499036 OMOGWENLBSAZDC-GFCCVEGCSA-N 453.037 6.569 50 10 JKGE Cc1ccc(S(=O)(=O)C(C#N)=Cc2ccc(N(c3ccccc3)c3ccccc3)cc2)cc1 2040446991 NIRTZYJNKZGBJT-UHFFFAOYSA-N 450.563 6.803 50 10 JKGE CO[C@@H]1CC([C@@H](Br)c2cc(Br)c(Br)s2)C[C@H]1OC 2054497466 MREZQAJSZHVJAP-FXPVBKGRSA-N 463.029 5.149 50 10 JKGE 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 2069358162 BYOULNBXJIWWLD-CJXSZXBOSA-N 458.602 5.951 50 10 JKGE FCC12CC([C@H](Cl)c3c(Br)sc(Br)c3Br)(CO1)C2 2082584232 FYNAVLGLSODREF-CAZGOSDBSA-N 483.422 5.834 50 10 JKGE C[C@H]1C[C@@H](CCOc2c(Br)cc(Br)cc2CBr)CO1 2103051767 UEPHLBVIJYVLKY-VHSXEESVSA-N 457.000 5.300 50 10 JKGE Cc1cc(Br)c([C@H](Br)[C@@H]2CCCCC23CC3)cc1Br 2116986185 DMWXDGDAPGFRPK-WFASDCNBSA-N 451.040 6.926 50 10 JKGE CC(C)(C)[C@H]1[C@@H](Br)CCN1C(=O)c1cc(Br)c(Br)s1 2128680414 RUMWPISDLAPWIN-OIBJUYFYSA-N 474.056 5.297 50 10 JKGE Cc1cc([C@H](Br)c2c(Br)nn(C)c2C)c(C)cc1Br 2131590635 RQXVYGIGYAHGJI-ZDUSSCGKSA-N 451.000 5.355 50 10 JKGE Cc1cc(Br)c(C)c([C@@H](Br)[C@@H]2COC(C)(C)C2)c1Br 2136372289 SSFAOVAUHXTZAC-HZMBPMFUSA-N 455.028 6.080 50 10 JKGE CCC[C@@H](CC(C)C)[C@H](Br)c1ccc(Br)c(C)c1Br 2138848181 DVKCBHABEXMINQ-LRDDRELGSA-N 455.072 7.418 50 10 JKGE Cc1c(Br)ccc([C@H](Br)CC(F)(F)C(F)(F)F)c1Br 2138860494 BIZYEZGGMVLTCQ-MRVPVSSYSA-N 474.887 6.544 50 10 JKGE Cc1nn(C)c(Br)c1[C@@H](Cl)c1ccc(Br)c(C)c1Br 2138862410 JUQSJVNJYCRCRM-LBPRGKRZSA-N 471.418 5.653 50 10 JKGE CCC[C@H]1CN(Cc2cc(Cl)ccc2I)C[C@@H]1CBr 2140788059 PEXZUIJFIFETPO-AAEUAGOBSA-N 456.593 5.188 50 10 JKGE Cc1cc(CCl)cc(S(=O)(=O)N(CCC(F)(F)F)Cc2ccccc2)c1Br 2152210886 FKZDYCUYOATXBK-UHFFFAOYSA-N 484.765 5.640 50 10 JKGE Fc1cc2nc(CCl)n([C@@H]3CCCCN(Cc4ccccc4)C3)c2cc1Br 2158571027 HDSRZNTVEHYTQE-MRXNPFEDSA-N 450.783 5.904 50 10 JKGE FC1(CC(CBr)(CBr)c2ccccc2Br)CCCCC1 2165908797 MXZWZSXDBKAYAM-UHFFFAOYSA-N 471.046 6.539 50 10 JKGE CC[C@H](Br)[C@@H]1CCCCN1C(=O)c1cccc(Br)c1Br 2170605241 SYQASPCBEYPPTJ-AAEUAGOBSA-N 468.027 5.380 50 10 JKGE Cn1ncc(CC(CBr)(CBr)c2ccc(Cl)cc2)c1Br 2173258239 QOXLMJSLFYSYJI-UHFFFAOYSA-N 485.445 5.106 50 10 JKGE CCn1cc(Br)c([C@H](Cl)c2c(C)c(Br)cc(C)c2Br)n1 2201068534 ROJOMQISBFRSKU-CYBMUJFWSA-N 485.445 6.136 50 10 JKGE COc1c(Cl)cc(Br)cc1[C@@H](Br)c1cc(F)ccc1Br 2203003257 LVJBPBHVAZPGIV-ZDUSSCGKSA-N 487.388 6.497 50 10 JKGE O=C(c1cc(Br)cc(Br)c1)N1[C@@H](CBr)CCC12CCC2 2205771944 GYLKERMVOYQQIN-CYBMUJFWSA-N 466.011 5.134 50 10 JKGE Cc1cc(Br)c(C(=O)N(Cc2ccccc2)[C@H](CBr)C(C)C)s1 2211919079 WPXVFVWCZPRDTA-MRXNPFEDSA-N 459.247 5.881 50 10 JKGE Cc1ccc(I)c([C@H](Cl)c2sc(Cl)cc2Br)c1 2217420685 HXYOUWBKRSZZRJ-NSHDSACASA-N 461.977 6.405 50 10 JKGE C[C@H](Cl)c1nc2ccc(F)c(Cl)c2n1CCCN(Cc1ccccc1)Cc1ccccc1 2220280395 YPBZMGGOMGMDCC-IBGZPJMESA-N 470.419 7.221 50 10 JKGE CC1(C)CCC[C@](CBr)(Cc2ccc(Br)cc2Br)O1 2226847143 AXPFZIWIPWDPEB-OAHLLOKOSA-N 455.028 5.867 50 10 JKGE Cc1cc(Br)c([C@@H](Br)[C@@H](C)CC(C)(C)C)c(C)c1Br 2227360185 PQANPRVPJJEPIW-BONVTDFDSA-N 455.072 7.337 50 10 JKGE Clc1cc(Br)c([C@H](Br)C[C@@H]2CCCOCC2)c(Cl)c1Cl 2232520646 PPXPVHZBLQMFNR-RKDXNWHRSA-N 465.440 7.052 50 10 JKGE CC1(C)[C@@H](OCc2ccccc2)C[C@@H]1n1c(CCl)nc2c(F)cc(Br)cc21 2232917257 ZJGCSENPGUXFSB-ROUUACIJSA-N 451.767 6.233 50 10 JKGE CCOCc1cc(Br)c([C@@H](Br)c2ccc(C)cc2Br)s1 2233017369 BYJOVGCRZXKFDM-AWEZNQCLSA-N 483.063 6.602 50 10 JKGE Cc1cc(Br)c([C@H](Br)[C@H]2CCCCC2(F)F)c(C)c1Br 2235604042 MGMLZUMLINUEGX-QMTHXVAHSA-N 475.009 7.090 50 10 JKGE COc1cc(Br)c([C@@H](Br)c2ccc(C)c(Br)c2)cc1C 2236010383 QLBNXKHNABHEFW-INIZCTEOSA-N 463.007 6.321 50 10 JKGE ClCc1nc2ccc(Cl)cc2n1-c1ccc(Br)cc1I 2240011918 PNPWESMIUCWDCD-UHFFFAOYSA-N 481.946 5.785 50 10 JKGE Cc1c(Br)sc([C@@H](Cl)c2ccc(C(F)(F)F)s2)c1Br 2277708483 OPMNIESXFZVXAT-QMMMGPOBSA-N 454.558 6.990 50 10 JKGE Cc1sc([C@@H](Cl)c2cc3sc(Br)cc3s2)c(Br)c1C 2278088722 JIFJHNZVAQXCMK-LBPRGKRZSA-N 456.677 7.494 50 10 JKGE Fc1ccc([C@@H](Cl)c2cc3sc(Br)cc3s2)c(I)c1 2278095289 ADVSDGWFAROASH-CYBMUJFWSA-N 487.584 6.797 50 10 JKGE CC(C)(C)OC(=O)N[C@@H]1CCN(CC2(CBr)CCCCC2)[C@@H](C(F)(F)F)C1 2281004313 MHAIHIPKNRIAKZ-HUUCEWRRSA-N 457.375 5.252 50 10 JKGE COc1ccc([C@H](Br)[C@H]2CCCCCC2(F)F)cc1I 2285007985 LMHHUVXIWVTVTO-RISCZKNCSA-N 459.112 5.951 50 10 JKGE COc1ccc([C@@H](Cl)c2ccc(I)c(Br)c2)c(OC)c1 2287187246 OQOQSRMSRUOABZ-HNNXBMFYSA-N 467.528 5.399 50 10 JKGE COc1ccc([C@@H](Br)c2ccc(C(F)(F)F)s2)cc1I 2295256079 ICVWRTMPTDBJLQ-GFCCVEGCSA-N 477.083 5.864 50 10 JKGE N#CC(C(=O)NCc1ccccc1)=C1S[C@@H](Cc2ccccc2Cl)C(=O)N1c1ccccc1 2296506902 KMJGMIXMDRBGIR-QHCPKHFHSA-N 473.985 5.083 50 10 JKGE O=C(NC(=CCl)[P+](c1ccccc1)(c1ccccc1)c1ccccc1)c1ccc(Cl)cc1 2297497890 CHFOKCBDGVOCPC-UHFFFAOYSA-O 477.351 6.102 50 10 JKGE O=C(NN=CC=Cc1ccccc1)c1cc2cc(Br)c(I)cc2o1 2297556208 QRUSAALPRZKAMR-UHFFFAOYSA-N 495.114 5.229 50 10 JKGE Clc1c(Br)sc(Br)c1[C@@H](Br)[C@@]12CCCC[C@@H]1CC2 2313304910 HINPQWRGOYCQQF-XBURVNOZSA-N 477.487 7.333 50 10 JKGE CCOc1cc(C=C(C#N)C(=O)Nc2ccccc2Cl)ccc1OCc1ccccc1F 2313631029 IZDMUYKATCTTGF-UHFFFAOYSA-N 450.897 6.002 50 10 JKGE N#CC(=C(O)c1ccccc1C[C@H](Cl)C#N)c1nc(-c2ccc(Br)cc2)cs1 2314457324 FHJPQXVTLGQLTK-INIZCTEOSA-N 470.779 6.196 50 10 JKGE CCc1ccc(N2C(=O)[C@H](Cc3ccccc3C)SC2=C(C#N)C(=O)Nc2cccc(C)c2)cc1 2314592316 QQOQLSLQIRENBG-SANMLTNESA-N 481.621 5.931 50 10 JKGE Cc1ccccc1NC(=O)C(C#N)=C1S[C@@H](Cc2ccc(F)cc2)C(=O)N1c1ccc(C(C)C)cc1 2314592343 RKHABLFBRCDEQK-SANMLTNESA-N 499.611 6.323 50 10 JKGE CCCCOc1ccc(C=C(C#N)C(=O)Nc2sc(C)c(-c3ccccc3)c2C(=O)OC)cc1 2314754038 JCCOCYQMOBNGQN-UHFFFAOYSA-N 474.582 6.235 50 10 JKGE Cn1cnc(Br)c1[C@H](Br)c1cc(C2CC2)c(Br)s1 2315636153 SABXMLOPISTTHX-SECBINFHSA-N 455.013 5.368 50 10 JKGE CCCc1sc(Br)cc1[C@H](Br)c1cc(Br)c(C)s1 2316173443 VCYRRJRQJWWRBH-ZDUSSCGKSA-N 473.093 7.080 50 10 JKGE Cc1c(F)ccc([C@H](Br)c2sc(Cl)cc2I)c1Cl 2316772217 VQQNQIWUQAUZIT-JTQLQIEISA-N 479.967 6.591 50 10 JKGE Cc1cc(Br)c(F)c(Br)c1[C@H](Br)[C@H]1[C@@H](C)C1(F)F 2317400466 NJQLRPWXWPAFSH-CGMLFGJQSA-N 450.918 5.996 50 10 JKGE COc1c(Br)cc(C)c([C@H](Br)c2ccsc2)c1Br 2317400856 PGAKRTZRHWWDJZ-LLVKDONJSA-N 455.009 6.074 50 10 JKGE Cc1nc(-c2ccc(Cl)cc2Cl)ccc1C(=O)NN=Cc1ccc(Br)cc1F 2321242312 BFBPHEYDFAOXJT-UHFFFAOYSA-N 481.152 6.029 50 10 JKGE CCCOc1ccc(C=NNC(=O)Cc2cc(Cl)ccc2SC)cc1Br 2323686625 WBCZOQBWGFCVRJ-UHFFFAOYSA-N 455.805 5.306 50 10 JKGE CCOc1ccc(C)cc1[C@@H](C)NC(=O)C(C#N)=CNc1ccc(Cl)c(C(F)(F)F)c1 2325072421 XTRRIIJRACWSHV-CQSZACIVSA-N 451.876 5.763 50 10 JKGE CCCOc1ccccc1C=CC(=O)NNC(=O)c1ccc(-c2ccc3ccccc3c2)s1 2328785203 HZMHQYKMDLRFRQ-UHFFFAOYSA-N 456.567 5.832 50 10 JKGE CCCCc1ccc(-c2csc(C(C#N)=C(O)c3cc([N+](=O)[O-])cc([N+](=O)[O-])c3C)n2)cc1 2331259552 VIMPJMGWIDRHGC-UHFFFAOYSA-N 464.503 6.227 50 10 JKGE N#CC(=C(O)CCN1C(=O)c2ccccc2C1=O)c1nc(-c2ccc(Cl)c(Cl)c2)cs1 2331311570 XNYSBNHUORFJEQ-UHFFFAOYSA-N 470.337 5.596 50 10 JKGE COc1ccc(OCCCC(O)=C(C#N)c2nc(-c3ccc(OC)c(C)c3C)cs2)cc1 2331362324 WTHGVOLDJHRUDO-UHFFFAOYSA-N 450.560 6.096 50 10 JKGE Cc1cc(C)c(C)c(-c2csc(C(C#N)=C(O)c3cc(C(F)(F)F)cc(C(F)(F)F)c3)n2)c1C 2331366488 YZOKTAJEEAQBSF-UHFFFAOYSA-N 496.476 8.031 50 10 JKGE Cc1ccc(-c2csc(C(C#N)=C(O)CCCN3C(=O)c4ccc([N+](=O)[O-])cc4C3=O)n2)cc1C 2331385399 ZUMGZVUKJZUCPD-UHFFFAOYSA-N 488.525 5.204 50 10 JKGE CCOc1ccc(CCC(O)=C(C#N)c2nc(-c3cc(Cl)ccc3OC)cs2)cc1OC 2331411682 BLDBBIRUXXQEIC-UHFFFAOYSA-N 470.978 6.305 50 10 JKGE CCOc1ccc(-c2csc(C(C#N)=Cc3cc(Br)c(OCC)c(OC)c3)n2)cc1 2331440923 BJTMNFGWHLXTSU-UHFFFAOYSA-N 485.403 6.443 50 10 JKGE Cc1ccccc1COc1ccc(C=C(C#N)c2nc(-c3ccc4c(c3)OCO4)cs2)cc1 2331454125 ZLLWRVUEYZYWTH-UHFFFAOYSA-N 452.535 6.490 50 10 JKGE COC[C@]1(C)C[C@@H]1[C@@H](Br)c1c(Cl)cc(Br)c(F)c1Br 2337089341 XZEOLSNQOJIANO-RMCLDHHASA-N 479.409 6.113 50 10 JKGE Brc1ccc(OCc2ccccc2)c([C@H](Br)[C@H]2C[C@H]3CCC[C@H]2CC3)c1 2338744985 SKEGGFGGMSNISN-LUFCQUEKSA-N 478.268 7.681 50 10 JKGE Clc1ccc(CC[C@H](Cl)c2ccccc2Br)c(I)c1 2341060294 TWUOAZUJAQCOEA-AWEZNQCLSA-N 469.975 6.620 50 10 JKGE C=CC[C@]1(CCl)CCCN1Cc1ccc(I)c(Br)c1 2349857621 OTUCSKYOIFETDJ-OAHLLOKOSA-N 454.577 5.203 50 10 JKGE ClCc1cc(OCc2cc(I)ccc2Cl)ncc1Br 2352267378 GDDCYULITVASRA-UHFFFAOYSA-N 472.935 5.420 50 10 JKGE Clc1ccc(I)cc1CN1CC[C@@H]2C[C@@H](Br)CC[C@@H]21 2352410055 DUZIJHYNQPISMY-GMXABZIVSA-N 454.577 5.083 50 10 JKGE Fc1cccc([C@H](Cl)c2c(F)cc(Cl)c(Br)c2Cl)c1Br 2360429234 MYIGYOPLJIKRLY-LBPRGKRZSA-N 465.346 7.125 50 10 JKGE CCCCC1CCC([C@H](Br)c2ccc(OCc3ccccc3)cc2Br)CC1 2361196424 XTGXLMIGVGAATD-IWRZYZMASA-N 494.311 8.461 50 10 JKGE FC1(F)CC[C@]2(C1)[C@@H](Br)C[C@H]2Oc1cc(Br)cc(Br)c1 2364222415 HQABSVZAKLNKJU-XQQFMLRXSA-N 474.965 5.932 50 10 JKGE Cc1cc(Br)c(F)c(Br)c1[C@H](Br)C1CC(C(F)(F)F)C1 2365188569 MNYVLPWZBIPWBF-HNQUHTCLSA-N 482.935 6.684 50 10 JKGE COc1cc([C@H](Br)c2c(F)cc(F)c(Br)c2F)sc1Cl 2365841179 UMPGMPYKZVKDHF-JTQLQIEISA-N 450.501 6.074 50 10 JKGE Cc1cc(Br)c(F)c(Br)c1[C@@H](Br)[C@]12C[C@H](C[C@H](C)O1)C2 2368526324 SMYWSPWHEGSBPO-PVFTVIPPSA-N 471.002 6.053 50 10 JKGE C[C@H](Br)CN(C(=O)c1ccc(I)c(Cl)c1)C1CCCC1 2368846485 ILXZIUXMODXHRV-JTQLQIEISA-N 470.576 5.113 50 10 JKGE F[C@]1(CNCc2ccc(I)c(Br)c2)CC[C@H](CCl)CC1 2377314202 KWEGFGKFEPJMSL-WGRBQBNCSA-N 474.583 5.281 50 10 JKGE O=C(NN=Cc1ccc(N2N=C(c3ccccc3)C[C@@H]2c2cccc3ccccc23)cc1)c1ccncc1 8424553 KFOBGESELLTWPC-WJOKGBTCSA-N 495.586 6.354 50 10 JKGE C/C(=N\NC(=O)COc1ccc2ccccc2c1Br)c1ccc(Br)cc1 12575940 QCBSBKMHVXVJAC-YDZHTSKRSA-N 476.168 5.284 50 10 JKGE CCCCOc1ccc(/C=C2/C(=O)N(CCc3ccc(OC)cc3)C(=O)C(C#N)=C2C)cc1OCC 38608644 PZRDMLJRDYRWKD-JJIBRWJFSA-N 488.584 5.108 50 10 JKGE Cc1ccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)COc4ccc(Cl)c(C)c4)ccc32)cc1 38649248 ALWFNTLDDURBJP-RUZDIDTESA-N 460.917 5.159 50 10 JKGE C[C@@H](Oc1ccccc1F)C(=O)Oc1ccc2c(c1)OC(N)=C(C#N)[C@H]2c1cccc(Cl)c1 38651208 JYKJEKSENCERNN-FATZIPQQSA-N 464.880 5.070 50 10 JKGE CCCOc1cccc(C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@H]3c2ccc(Cl)cc2)c1 38651398 GYOBBXKIFXQEPE-DEOSSOPVSA-N 460.917 5.566 50 10 JKGE CC(C)c1ccc(O[C@H](C)C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@H]3c2ccc(Cl)cc2)cc1 38651418 MXNFODLJJJOZNS-QUGAMOGWSA-N 488.971 6.054 50 10 JKGE CCOc1ccc(C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@@H]3c2ccccc2Br)cc1 38678636 JHSFDSVSBSTTKS-HSZRJFAPSA-N 491.341 5.285 50 10 JKGE CCCCOc1cccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4ccccc4[N+](=O)[O-])ccc32)c1 38685143 VARCUIPTZMIQQC-VWLOTQADSA-N 485.496 5.211 50 10 JKGE Cc1ccc2c(Cl)c(C(=O)Oc3ccc4c(c3)OC(N)=C(C#N)[C@@H]4c3cccc(F)c3)sc2c1 38700470 WVORUVHJRABDMS-JOCHJYFZSA-N 490.943 6.440 50 10 JKGE O=C(COc1ccc(-c2ccccc2)cc1Br)N/N=C/c1cccc2ccccc12 40911288 DITFXWYGONMQGX-JVWAILMASA-N 459.343 5.798 50 10 JKGE O=C(N/N=C/c1cccc(Cl)c1Cl)c1ccc(OCc2ccc(Cl)cc2Cl)cc1 48573881 NJFMUBLPCRTYQG-KBKYJPHKSA-N 468.167 6.643 50 10 JKGE Cc1cc(/C=N/NC(=O)c2cc3ccccc3o2)c(C)n1-c1ccc(OCc2ccc(Cl)cc2)cc1 59305193 WSWOYFGDYZDVCP-KBVAKVRCSA-N 497.982 6.837 50 10 JKGE O=C(N/N=C\c1ccc(Oc2ccc(C(F)(F)F)cc2[N+](=O)[O-])cc1)c1cccc([N+](=O)[O-])c1 59462927 IZJIZQLPVOLQOI-ROTLSHHCSA-N 474.351 5.078 50 10 JKGE COc1ccc(Br)c(CC(CBr)(CBr)c2ccccc2)c1 118876459 JBEDZJREWWOCCB-UHFFFAOYSA-N 477.034 5.728 50 10 JKGE Fc1ccc(C[C@@H](Br)c2cc(Br)ccc2Br)cc1F 122880198 FEHUBCSFKFQPBS-GFCCVEGCSA-N 454.934 6.169 50 10 JKGE COc1cc(Cl)c([C@H](Br)c2csc(I)c2)cc1OC 124421322 QGYJAVJNFFWUSU-CYBMUJFWSA-N 473.557 5.508 50 10 JKGE Cc1cc(Cl)cc([C@@H](Br)c2cc(Br)c(Br)s2)c1 157701862 ASUMDIMDVCSTEC-LLVKDONJSA-N 459.428 6.719 50 10 JKGE COc1ccc([C@H](Br)c2cc(C)c(Br)s2)c(OC)c1Br 224856693 ZTTPCDGZKMZAPX-NSHDSACASA-N 485.035 6.083 50 10 JKGE CCCOc1ccc([C@@H](Br)c2ccc(Br)o2)cc1Br 229008286 QDUFKIWTIJAOTB-CQSZACIVSA-N 452.968 6.078 50 10 JKGE Clc1ccc([C@@H](Br)c2cc(Br)c(Cl)s2)cc1Br 236061844 AXUCYFNXEYFMJJ-SNVBAGLBSA-N 479.846 7.064 50 10 JKGE Fc1ccc([C@@H](Br)Cc2ccc(Br)cc2)c(I)c1 236163625 UMLGUEUQHLQIEN-ZDUSSCGKSA-N 483.944 5.872 50 10 JKGE Cc1cc(C=NNC(=O)C(O)(c2ccccc2)c2ccccc2)c(C)n1-c1ccc(C(C)(C)C)cc1 254485204 JOROUOZXRCCJGN-UHFFFAOYSA-N 479.624 5.778 50 10 JKGE Cc1nn(-c2ccccc2)c(Cl)c1C=NNC(=O)[C@@]1(C)CC[C@@H](c2nc3ccccc3[nH]2)C1(C)C 254573539 RSKPKTQRNONGQM-CCLHPLFOSA-N 489.023 5.771 50 10 JKGE CCCCCCCCCCCCCC(=O)NN=Cc1ccc(OC(=O)c2ccc(OCC)cc2)cc1 254764837 YCBCTOUREYMDAU-UHFFFAOYSA-N 494.676 7.456 50 10 JKGE Cc1cc([C@@H](Cl)c2cc(Br)ccc2I)c(F)cc1F 300477264 PHHSFSZCYSXDON-CQSZACIVSA-N 457.483 5.969 50 10 JKGE Clc1ccc(Br)c([C@@H]2CN(Cc3ccccc3)C[C@H]2CI)c1 382725603 PXUXTSSATCTRKQ-RHSMWYFYSA-N 490.610 5.753 50 10 JKGE ClCc1nc2c(Cl)cccc2n1-c1ccc(Br)c(I)c1 383468795 QHQDZJZAGMXTKU-UHFFFAOYSA-N 481.946 5.785 50 10 JKGE C[C@@H]1CCC[C@H](CC(CBr)(CBr)c2ccc(Br)cc2)C1 383875932 ZAALACRWSSOMTP-KGLIPLIRSA-N 467.083 6.693 50 10 JKGE CC(C)(C)[Si](C)(C)OCCc1ccc([C@H]2CN(S(=O)(=O)c3ccccc3)CCO2)cc1 616604192 ROQYXQAEVYSTFE-HSZRJFAPSA-N 461.700 5.013 50 10 JKGE COc1cc(Cl)c([C@H](Cl)c2scc(Br)c2Br)cc1Cl 705461729 CEMOUCFVOLMMJC-NSHDSACASA-N 465.421 6.917 50 10 JKGE CN(Cc1ccccc1)C1CCN(c2cc(Br)ccc2CBr)CC1 717560613 COPDMAARURQQLM-UHFFFAOYSA-N 452.234 5.445 50 10 JKGE C[C@H]1Cc2cc(Br)cc([C@H](Br)c3ccsc3Br)c2O1 720046258 VXZTYKPGNGBCSY-JVXZTZIISA-N 467.020 6.081 50 10 JKGE O=C(OCc1ccccc1)N1C[C@@H](CBr)[C@H](c2ccc(OC(F)(F)F)cc2)C1 725418451 ZJLGFFCFQARJAZ-AEFFLSMTSA-N 458.274 5.332 50 10 JKGE C[C@H](Oc1ccc(C=NNC(=O)Nc2ccc(C34CC5CC(CC(C5)C3)C4)cc2)cc1)C(=O)O 1083916297 HIALRABNMSICAN-SNWHFVAUSA-N 461.562 5.162 50 10 JKGE Cc1ccc(Cl)cc1NC(=O)/C(C#N)=C\c1cc(Cl)ccc1OCc1ccccc1F 1084151103 RJQPNCZIBKFPNY-ZDLGFXPLSA-N 455.316 6.566 50 10 JKGE CCCCCOc1ccccc1C(=O)NN=C1C(=O)N(Cc2cccc3ccccc23)c2ccccc21 1084536192 KYTLROCGCYJCRM-UHFFFAOYSA-N 491.591 6.090 50 10 JKGE Cc1cc(C)cc(OC(=O)c2oc3c(c2C)C(=NNC(=O)c2ccccc2Cl)CCC3)c1 1772743809 JDASFUFTDWGJAO-UHFFFAOYSA-N 450.922 5.548 50 10 JKGE Cc1c(C(=O)Nc2ccc(Br)cc2)oc2c1C(=NNC(=O)c1ccc(F)cc1)CCC2 1772744454 DQIUXSYQLDVRAI-UHFFFAOYSA-N 484.325 5.212 50 10 JKGE Cc1c(C(=O)Oc2ccc3ccccc3c2)oc2c1C(=NNC(=O)c1cccc3ccccc13)CCC2 1772747644 KFNZSINELKBEAA-UHFFFAOYSA-N 488.543 6.584 50 10 JKGE Cc1c(C(=O)NC2CCCC2)oc2c1C(=NNC(=O)C(c1ccccc1)c1ccccc1)CCC2 1772748754 NUAVVVCEODTNDI-UHFFFAOYSA-N 469.585 5.249 50 10 JKGE O=C(COc1ccc(-c2ccccc2)cc1Br)NN=Cc1ccc(Cl)c(Cl)c1 1772753947 GHKWXMUYZWCZFC-UHFFFAOYSA-N 478.173 5.952 50 10 JKGE Cc1cc(OCC(=O)NN=Cc2ccc(OCc3ccccc3Cl)cc2)ccc1C(C)C 1772754715 QZSCYRDQXYSXDV-UHFFFAOYSA-N 450.966 5.880 50 10 JKGE COc1ccc(-n2nc(C(F)(F)F)c3c2OC(N)=C(C#N)[C@@H]3c2ccc(C(C)(C)C)cc2)cc1 1865682068 FAXXWIGBPQZIJZ-IBGZPJMESA-N 468.479 5.415 50 10 JKGE COc1ccc(-c2nn(-c3ccccc3Cl)c3c2[C@@H](c2ccc(N(C)C)cc2)C(C#N)=C(N)O3)cc1 1865683180 ICBLYHALNKDMGY-DEOSSOPVSA-N 497.986 5.485 50 10 JKGE CCc1nn(-c2ccccc2Cl)c2c1[C@H](c1cccc(Br)c1)C(C#N)=C(N)O2 1865683232 AZXMTURTJOXWOB-GOSISDBHSA-N 455.743 5.069 50 10 JKGE CN(C)c1ccc([C@H]2C(C#N)=C(N)Oc3c2c(-c2ccccc2)nn3Cc2c(F)cccc2Cl)cc1 1865683922 QHUQCVODUIIZDY-DEOSSOPVSA-N 499.977 5.675 50 10 JKGE CCCc1nn(Cc2c(F)cccc2Cl)c2c1[C@H](c1ccc(Cl)cc1Cl)C(C#N)=C(N)O2 1865685958 ORRSGNUUXJGQKS-HXUWFJFHSA-N 491.781 6.201 50 10 JKGE COc1ccc2ccccc2c1[C@@H]1C(C#N)=C(N)Oc2c1c(C(F)(F)F)nn2-c1ccc(Cl)cc1 1865688724 ZDZIRVRBDSIPPZ-FQEVSTJZSA-N 496.876 5.924 50 10 JKGE CCOc1cc([C@H]2C(C#N)=C(N)Oc3c2c(CC)nn3-c2ccccc2)ccc1OCc1ccccc1 1865693165 HUHJQLJFYXBUBX-MHZLTWQESA-N 492.579 5.631 50 10 JKGE COc1ccc(-c2nn(Cc3ccccc3Cl)c3c2[C@@H](c2cccs2)C(C#N)=C(N)O3)cc1 1865697931 GEKSTSNSWAJCAL-OAQYLSRUSA-N 474.973 5.540 50 10 JKGE CCc1nn(-c2cccc(Cl)c2)c2c1[C@@H](c1ccc(OC(=O)c3ccccc3)cc1)C(C#N)=C(N)O2 1865705340 SSFZXZHNUUVWJX-DEOSSOPVSA-N 496.954 5.525 50 10 JKGE COc1ccc(-c2nn(-c3cccc4ccccc34)c3c2[C@H](c2ccccc2O)C(C#N)=C(N)O3)cc1 1865708467 XKNOVGZNEWLLCM-AREMUKBSSA-N 486.531 5.625 50 10 JKGE COc1ccc(-c2nn(-c3ccc(Cl)cc3)c3c2[C@H](c2ccccc2OC)C(C#N)=C(N)O3)cc1 1865709560 CRADSNJBMNLRFD-HSZRJFAPSA-N 484.943 5.428 50 10 JKGE Cc1ccc(Cn2nc(-c3ccccc3)c3c2OC(N)=C(C#N)[C@@H]3c2ccc(Br)cc2)cc1 1865714673 NCEXTEWSCWCIDB-QHCPKHFHSA-N 497.396 5.888 50 10 JKGE CC(C)c1nc(Nc2ccc(SC#N)cc2)cc(N2CCN3CCc4c(Cl)cccc4[C@H]3C2)n1 1868231631 MUEXELCOFYBBOG-HSZRJFAPSA-N 491.064 5.990 50 10 JKGE COc1cc(/C=C(\C#N)c2nc(O)c3ccccc3n2)ccc1OCc1ccc(Br)cc1 1872726865 SHYQVIACMCHTAS-LDADJPATSA-N 488.341 5.750 50 10 JKGE COc1cccc(/C=C(\C#N)c2ccc(C(=O)OC(C)C)o2)c1OCc1ccc(Br)cc1 1872728702 OUJSDEDLMFGFLG-CPNJWEJPSA-N 496.357 6.259 50 10 JKGE CCn1c(/C(C#N)=C/c2ccc(OCc3c(Cl)cccc3Cl)c(OC)c2)nc2ccccc21 1872730695 KGMQZBZVOVUQIT-QGOAFFKASA-N 478.379 7.015 50 10 JKGE COc1ccccc1-c1csc(/C(C#N)=C(\O)[C@H]2CC(=O)N(c3cc(Cl)ccc3OC)C2)n1 1872747180 QRQFYEJEMNESHZ-UIFJYSFJSA-N 481.961 5.326 50 10 JKGE COc1ccc(Cl)cc1N1C[C@@H](/C(O)=C(\C#N)c2nc(-c3ccc(Cl)cc3)cs2)CC1=O 1872748240 OSEYRCCEYQGLHH-AEWZPABSSA-N 486.380 5.971 50 10 JKGE CCCCc1ccc(N2C[C@@H](/C(O)=C(\C#N)c3nc(-c4ccc(Cl)cc4)cs3)CC2=O)cc1 1872748449 XRDGLXBNHYRZKU-NWIBBQCFSA-N 478.017 6.652 50 10 JKGE Cc1cccc(N2C(=O)c3ccc(/C(O)=C(\C#N)c4nc(-c5ccc(F)cc5)cs4)cc3C2=O)c1C 1872751905 GXYBSRRSQKYBEF-LVWGJNHUSA-N 495.535 6.317 50 10 JKGE COc1ccc(-c2csc(/C(C#N)=C(\O)[C@H]3CC(=O)N([C@H](C)c4ccccc4)C3)n2)c(C)c1C 1872753852 QJMNXPIVZSMEEK-HKTKLAJTSA-N 473.598 5.838 50 10 JKGE COc1cc(Cl)c(C)cc1-c1csc(/C(C#N)=C(\O)c2ccc(Cl)c(Cl)c2)n1 1872755271 GJMSBLUTLNTUGT-UYRXBGFRSA-N 451.762 7.037 50 10 JKGE COc1ccc(-c2csc(/C(C#N)=C(\O)COc3ccc(Cl)cc3)n2)c(OC)c1OC 1872759218 HIUMQSWYVLVEGI-VLGSPTGOSA-N 458.923 5.361 50 10 JKGE CCOc1ccc(-c2csc(/C(C#N)=C/c3c(OCc4ccccc4)ccc4ccccc34)n2)cc1 1872790490 MCPBCADRJMTDLX-XIEYBQDHSA-N 488.612 8.005 50 10 JKGE Cc1cc(-c2csc(/C(C#N)=C(\O)CN3C(=O)COc4ccc(Cl)cc43)n2)ccc1F 1873920866 LHJHDYVZUIIYIV-CYVLTUHYSA-N 455.898 5.129 50 10 JKGE O=C(c1c(Br)cccc1Br)N(Cc1ccccc1)[C@@H](CCl)C1CC1 1915151329 JMVNAZOQWZTGOG-KRWDZBQOSA-N 471.620 5.871 50 10 JKGE Cc1cc(Br)c(F)c(C(=O)N(Cc2ccccc2)[C@@H](CBr)C2CC2)c1 1915265007 VANXRQIDEYJWMG-SFHVURJKSA-N 469.192 5.713 50 10 JKGE FC(F)(F)c1cscc1[C@@H](Br)c1sc(Br)cc1Br 1922881554 IYYXCMPQGHSGHW-MRVPVSSYSA-N 484.982 6.838 50 10 JKGE CS(=O)(=O)c1sccc1[C@@H](Cl)c1sc(Br)cc1Br 1922895050 QTJHGZARFHNYJZ-MRVPVSSYSA-N 450.626 5.066 50 10 JKGE Brc1cccc([C@@H](Br)c2sc(Br)cc2Br)c1 1922931018 YISLYBZBPXOWKK-SNVBAGLBSA-N 489.852 6.520 50 10 JKGE Clc1c(Br)sc(Br)c1[C@H](Br)CC1CCCC1 1923068857 XNRZBQQGMMDBMU-SSDOTTSWSA-N 451.449 6.943 50 10 JKGE Cc1ccc(Cl)cc1[C@H](Cl)c1c(Br)sc(Br)c1Br 1924590411 JGAINRRZYQRQIY-JTQLQIEISA-N 493.873 7.326 50 10 JKGE Brc1cccnc1C[C@H](Br)c1ccc(I)cc1 1924905807 CVONRLNKKUAULF-LBPRGKRZSA-N 466.942 5.127 50 10 JKGE FCC1([C@H](Br)c2c(Br)sc(Br)c2Cl)CCC1 1979397083 QNWLNTHPJBYTRL-SSDOTTSWSA-N 455.412 6.502 50 10 JKGE Cc1ccc([C@@H](Br)c2cc(I)sn2)c(C)c1Br 2007648511 WMKJVXLTEYNPTR-GFCCVEGCSA-N 486.998 5.611 50 10 JKGE BrCc1ccc(N2C[C@@H]3CCN(Cc4ccccc4)[C@H]3C2)cc1Br 2015063840 AQCSJHGTEXUTLT-PXNSSMCTSA-N 450.218 5.055 50 10 JKGE C[C@@]1(CCOCc2ccccc2)CCN1c1ccc(CBr)cc1Br 2020889822 AIUUYWNDNCKRSJ-FQEVSTJZSA-N 453.218 5.920 50 10 JKGE Cc1nc(C[C@@H](Br)c2cc(Br)c(Br)s2)sc1C 2025971589 HKZKFKZSCTWTSU-SSDOTTSWSA-N 460.054 6.025 50 10 JKGE CCc1sc(Br)cc1[C@@H](Br)c1ccc(Br)c(F)c1 2030220502 LQWYHDSNKGPCJL-ZDUSSCGKSA-N 457.000 6.459 50 10 JKGE Cc1nn(-c2c(CBr)ccc(Br)c2Cl)c(C)c1Br 2036846497 CBQTTXIYGQANOY-UHFFFAOYSA-N 457.391 5.562 50 10 JKGE Cc1cc(Br)sc1[C@@H](Br)Cc1ccc(Br)cc1F 2038509419 RDCYKCJKCLVFKD-JTQLQIEISA-N 457.000 6.399 50 10 JKGE Clc1c(Br)sc(Br)c1[C@@H](Br)CC12CCC(CC1)C2 2039380498 JATVVSIJMJFJCU-DMWDQNTBSA-N 477.487 7.333 50 10 JKGE Cc1c(Br)ccc([C@@H](Br)[C@H](C)CC(F)(F)F)c1Br 2083318256 NUUCXFKBBFMCKQ-LDWIPMOCSA-N 452.934 6.545 50 10 JKGE CC(C)Cc1ccc([C@@H](Br)c2ccc(Br)cc2Br)s1 2087332211 JCALTBIQBDQVET-HNNXBMFYSA-N 467.064 6.956 50 10 JKGE O=C(c1cc(Br)sc1Br)N1CC2(CC[C@H]1CBr)CC2 2097880880 SWMVDNOPEJSMGK-QMMMGPOBSA-N 472.040 5.053 50 10 JKGE CC1(C)CCC[C@H]([C@@H](Br)c2c(Br)sc(Br)c2Cl)CC1 2100837960 HNYQFOAXIHCTLX-WCBMZHEXSA-N 493.530 7.969 50 10 JKGE Brc1cc(Br)c([C@H](Br)C2CC3(C2)CC2(CCC2)C3)s1 2100922988 VFDTXEGEEHCGGH-GFCCVEGCSA-N 469.080 7.070 50 10 JKGE CC[C@H](Br)[C@@H]1CCCCN1Cc1c(Br)cccc1Br 2114189320 LZEOLLPEKUHFRO-WFASDCNBSA-N 454.044 5.740 50 10 JKGE CN(Cc1ccc(Br)cc1Br)C1CCC(CBr)CC1 2114664911 JUDRSHQPGQCTHM-UHFFFAOYSA-N 454.044 5.597 50 10 JKGE CC1(C)C[C@@H](CBr)CN(Cc2ccc(Br)cc2Br)C1 2115955273 ZEOARXXIAWNTBG-NSHDSACASA-N 454.044 5.455 50 10 JKGE Brc1ccc([C@@H](Br)[C@H]2CC3(CCCC3)CO2)c(Br)c1 2138874729 YPMPLDATDLDSRP-ZIAGYGMSSA-N 453.012 5.997 50 10 JKGE COc1cc(F)c(F)cc1[C@@H](Br)c1cc(Br)sc1Br 2139627315 GKCJJADLYOHAMS-LLVKDONJSA-N 476.962 6.044 50 10 JKGE C[C@]1(F)CN(c2cc(Br)cc(F)c2CBr)C[C@@]1(C)Br 2140738736 DCECGUYQDVFMPP-OLZOCXBDSA-N 461.970 5.185 50 10 JKGE C[C@H](Cl)c1nc2cc(Br)c(Cl)cc2n1[C@@H]1CCN(Cc2ccccc2)[C@H]1C 2160085213 ZSJMBTBRHOUWCO-CKFHNAJUSA-N 467.238 6.588 50 10 JKGE Fc1cc(Br)c2nc(CCl)n([C@@H]3CCCN(Cc4ccccc4)CC3)c2c1 2160560563 RJJGTCLMAHHUGP-QGZVFWFLSA-N 450.783 5.904 50 10 JKGE O=S(=O)(c1ccc(Cl)c(CBr)c1Cl)N(Cc1ccccc1)C[C@H]1CCCO1 2179830563 MHQRWGVRICSPAF-OAHLLOKOSA-N 493.250 5.258 50 10 JKGE O=S(=O)(c1ccc(CCCBr)cc1)N(Cc1ccccc1)Cc1cccs1 2179858199 LIRAEJWKXHDZEF-UHFFFAOYSA-N 464.450 5.467 50 10 JKGE Fc1cc(F)cc(CO[C@@H](CI)c2ccccc2Br)c1 2204373420 FUGKRFIOSAPUAJ-HNNXBMFYSA-N 453.064 5.420 50 10 JKGE C[C@@H]1CC[C@@H](c2sc(Br)c(Br)c2Br)C[C@H]1Br 2212189699 OCDKZVCOLUTVRC-FSDSQADBSA-N 495.900 6.703 50 10 JKGE Cc1c(Br)sc([C@@H](Br)C2CC(C(F)F)C2)c1Br 2217480133 IOBRKVAVVUQFNZ-QIECLKSESA-N 452.984 6.309 50 10 JKGE Fc1cc(Br)c(Br)cc1[C@H](Br)c1ccccc1Cl 2218597157 KRYLXSFOFQYNFJ-CYBMUJFWSA-N 457.362 6.488 50 10 JKGE Cc1ccc(I)c([C@H](Cl)c2c(Br)sc(C)c2C)c1 2224056440 XKJFGAGMLRLCTK-ZDUSSCGKSA-N 455.586 6.369 50 10 JKGE Fc1cc(Br)c(Br)cc1[C@@H](Br)C[C@H]1C[C@H]2CC[C@H]1C2 2225617903 WKXVWPWHULJUBK-GUDRVLHUSA-N 455.003 6.613 50 10 JKGE Cc1ccc([C@H](Br)c2c(Br)cc(Cl)c(Cl)c2Cl)c(C)c1 2232514773 VTXZDUIWKFCCLW-ZDUSSCGKSA-N 457.420 7.510 50 10 JKGE Clc1cc(Br)c([C@H](Br)[C@@H]2C[C@@H]3CCCC[C@@H]32)c(Cl)c1Cl 2232522530 ZBIZAYBOGUWAAT-NMSKTSORSA-N 461.452 7.672 50 10 JKGE Cc1cc(Br)c([C@H](Br)c2cc(Br)cc3c2O[C@@H](C)C3)s1 2237632912 DWYTYXKCYKXBEX-WPPNPWJKSA-N 481.047 6.389 50 10 JKGE COCc1cc(Br)c([C@H](Br)Cc2cc(Cl)cc(Cl)c2)s1 2240908342 VYWCTLJOXYHIDQ-GFCCVEGCSA-N 459.030 6.643 50 10 JKGE Cc1cc(F)c(Br)cc1[C@H](Br)c1sc(Cl)cc1Br 2258100914 CMRUBQLBRGJBPV-NSHDSACASA-N 477.418 6.858 50 10 JKGE CC1(C)C[C@]1(Cl)[C@H](Br)c1c(F)cc(Br)c(F)c1Br 2260072262 ZTKHZJONCJOCLJ-PWSUYJOCSA-N 467.373 6.333 50 10 JKGE Cc1cc([C@@H](Br)Cc2cc(Br)cc(Br)c2)c(C)s1 2263449623 BHIGELMTCLADIA-AWEZNQCLSA-N 453.037 6.569 50 10 JKGE Clc1sc([C@@H](Cl)c2cc3sc(Br)cc3s2)cc1Br 2263629795 GAFRRKZUJLIURD-SNVBAGLBSA-N 463.068 7.531 50 10 JKGE Fc1cc([C@@H](Br)c2c(Cl)sc(Cl)c2Cl)c(F)cc1Br 2267217819 MOUJQJRZVDZWJH-MRVPVSSYSA-N 471.375 7.233 50 10 JKGE COc1ccc([C@@H](Cl)c2cccc(F)c2Br)cc1I 2269539122 DCMUTGRPPRARGS-CQSZACIVSA-N 455.492 5.530 50 10 JKGE Cc1cc(F)c(Br)cc1[C@@H](Br)Cc1ccncc1Br 2270436564 HBYVMZKILVMFJJ-NSHDSACASA-N 451.959 5.733 50 10 JKGE Cc1cc(Br)c([C@H](Br)C2CC3(CC(C)C3)C2)cc1Br 2272224689 CNYKBTLXBKJCGX-BASZAUDJSA-N 451.040 6.782 50 10 JKGE CC(C)(C)CCN(CCBr)Cc1cc(Br)ccc1Br 2274234770 PNJKGABDJSYHSA-UHFFFAOYSA-N 456.060 5.845 50 10 JKGE O=C(c1cc(Br)sc1Br)N1C[C@H](Br)C[C@H]2CCCC[C@@H]21 2279518763 ZJPQHIKPXPXVJQ-KKZNHRDASA-N 486.067 5.441 50 10 JKGE Cc1cc(Br)c(C)c([C@@H](Br)C2CC(S(C)(=O)=O)C2)c1Br 2285392308 XWOIQNUWLREOHS-FDZGAKKTSA-N 489.067 5.088 50 10 JKGE Cc1cc(F)c(Br)cc1[C@@H](Br)[C@@H](C)c1ccncc1Br 2285952666 MMEHKGLMIDAYSB-VFZGTOFNSA-N 465.986 6.294 50 10 JKGE C[C@H](C[C@H](Br)c1c(F)cc(Br)c(F)c1Br)CC(C)(C)C 2288493715 WHIQGKOVAQATMF-BDAKNGLRSA-N 477.025 7.388 50 10 JKGE CCOc1ccc(NC(=O)C(C#N)=Cc2cn(Cc3ccc4ccccc4c3)c3ccccc23)cc1 2293740373 UJHCCACSFHGGLC-UHFFFAOYSA-N 471.560 6.787 50 10 JKGE COc1c([C@@H](Br)C2CC(Br)C2)cc(Br)c2ccccc12 2294769379 ZKHJSEGNFKKALL-HEEBCNDISA-N 463.007 6.220 50 10 JKGE N#CC(=CC1=C(N2CCOCC2)C(=Cc2ccc(Cl)cc2)CC1)C(=O)Nc1ccccc1F 2297399634 WYIWEKXQKQANMX-UHFFFAOYSA-N 463.940 5.331 50 10 JKGE CC1(C)C[C@H]([C@H](Br)c2cc(Br)ccc2OCc2ccccc2)CO1 2299503340 DWXBINMFXRNLIT-KXBFYZLASA-N 454.202 6.279 50 10 JKGE Cn1cnc(Br)c1[C@@H](Br)c1ccc(Br)cc1Br 2300291156 SYJOCHMDNKYSGP-VIFPVBQESA-N 487.815 5.192 50 10 JKGE Cc1cc(Br)ccc1[C@@H](Cl)c1sc(Cl)cc1I 2300955423 MCNHUBLGUJZSSK-LLVKDONJSA-N 461.977 6.405 50 10 JKGE COc1cc(C=C(C#N)C(=O)Nc2cccc(Cl)c2Cl)ccc1OCc1ccc([N+](=O)[O-])cc1 2313571216 PZQMJCQUPOTBST-UHFFFAOYSA-N 498.322 6.035 50 10 JKGE Cc1ccc(C)c(NC(=O)C(C#N)=C2C(=O)N(Cc3ccccc3)c3ccc(Br)cc32)c1 2313637997 SHTZIFSKOOHEGW-UHFFFAOYSA-N 486.369 5.529 50 10 JKGE CCOc1cc(C=C(C#N)C(=O)NC2CCCC2)ccc1OCc1ccc(Cl)c(Cl)c1 2313670758 UOGZOJFULOYQGH-UHFFFAOYSA-N 459.373 5.937 50 10 JKGE CCCOc1ccc(-c2nn(-c3ccccc3)cc2C=C(C#N)c2nc(O)c3ccccc3n2)cc1C 2314433644 PUOBIRTYXCRZFU-UHFFFAOYSA-N 487.563 6.350 50 10 JKGE Brc1cc(OCc2ccccc2)ccc1[C@H](Br)C[C@@H]1CCCC12CC2 2314442709 GPGCKJHRCSEQTP-FXAWDEMLSA-N 464.241 7.435 50 10 JKGE CCCSc1ccc(-c2nn(-c3ccccc3)cc2C=C(C#N)S(=O)(=O)c2ccccc2)cc1 2314477919 CFZDMOSUQSPOFX-UHFFFAOYSA-N 485.634 6.380 50 10 JKGE C[C@H]1OC2(C)CC1([C@@H](Br)c1cc(Br)ccc1OCc1ccccc1)C2 2314501064 TYYSCWYOHBFANX-NMDQSBKUSA-N 466.213 6.422 50 10 JKGE COc1ccc(C=CC(=O)Oc2ccc(C=C(C#N)c3nc(-c4ccccc4)cs3)cc2)cc1 2314548662 PTBSZUAORNIJAW-UHFFFAOYSA-N 464.546 6.502 50 10 JKGE CCc1ccc(N2C(=O)[C@H](Cc3cccc(C)c3)SC2=C(C#N)C(=O)NCc2ccccc2)cc1 2314593191 JBFHZCYMAVJWCI-SANMLTNESA-N 481.621 5.300 50 10 JKGE CCc1ccc(N2C(=O)[C@H](Cc3ccccc3C)SC2=C(C#N)C(=O)Nc2ccccc2)cc1 2314593587 PQAIUGJTUFXKGT-VWLOTQADSA-N 467.594 5.622 50 10 JKGE CCCOc1ccccc1C=C(C#N)C(=O)Nc1sc(-c2ccccc2)cc1C(=O)OCC 2314773854 GFUAHLOWQGEIKE-UHFFFAOYSA-N 460.555 5.926 50 10 JKGE CCCCNC(=O)C(C#N)=Cc1ccc(OC(=O)COc2ccc(CCC)cc2Br)cc1 2314789568 HCNVPNRVDYHEBR-UHFFFAOYSA-N 499.405 5.209 50 10 JKGE CC[C@@H](C(C)C)[C@@H](Br)c1c(Cl)cc(Br)c(F)c1Br 2315457278 AXOXPQPBYHLQBS-WRWORJQWSA-N 465.426 7.122 50 10 JKGE Cc1sc([C@H](Cl)c2ccc(Cl)cc2I)c(Br)c1C 2317773172 JXIQJIUKDLOPNA-GFCCVEGCSA-N 476.004 6.714 50 10 JKGE FC1(F)CC[C@@](CBr)(Cc2ccc(I)c(Br)c2)C1 2325220818 JWZQARMVBLGLKR-GFCCVEGCSA-N 493.955 5.797 50 10 JKGE Cc1ccc2nc(-c3ccc(NC=C(C#N)C(=O)Nc4ccc(N)cc4Cl)cc3)sc2c1 2325402331 OGRGMQIVYZWPBX-UHFFFAOYSA-N 459.962 5.965 50 10 JKGE CCCCCCOc1ccc(C(O)=C(C#N)c2nc(-c3cc(OC)ccc3OC)cs2)cc1 2331325171 RSFWCSPUAWIOJI-UHFFFAOYSA-N 464.587 6.736 50 10 JKGE CCOc1ccc(OCC)c(-c2csc(C(C#N)=C(O)Cc3ccc(NC(C)=O)cc3)n2)c1 2331376334 XTZRUQPIIZBSOQ-UHFFFAOYSA-N 463.559 5.601 50 10 JKGE COc1ccc(C=CC(O)=C(C#N)c2nc(-c3cc(Cl)cc(C)c3OC)cs2)c(OC)c1 2331391881 RHLPLAUARWYBKU-UHFFFAOYSA-N 468.962 6.304 50 10 JKGE CCOc1ccc(CCC(O)=C(C#N)c2nc(-c3cc(Cl)cc(C)c3OC)cs2)cc1OC 2331393730 KOPATWJUXPOLFW-UHFFFAOYSA-N 485.005 6.613 50 10 JKGE N#CC(=Cc1cccc(OCc2ccccc2)c1)c1nc(-c2ccc3c(c2)OCCO3)cs1 2331452141 LNEDVRRWEASJCD-UHFFFAOYSA-N 452.535 6.224 50 10 JKGE Cc1ccc(C(C)(C)C)cc1-c1csc(C(C#N)=Cc2ccccc2OCc2ccccc2Cl)n1 2331478860 BYZUEMQEUONAPP-UHFFFAOYSA-N 499.079 8.713 50 10 JKGE COc1cc(C=C(C#N)c2nc(-c3ccc(Cl)s3)cs2)ccc1OCc1ccccc1 2331484167 RLMMZSHVWNCQDO-UHFFFAOYSA-N 464.999 7.177 50 10 JKGE Brc1ccc(OCc2ccccc2)c([C@@H](Br)[C@@H]2CCn3ncnc3C2)c1 2336083194 IFZJIPFJGGIALZ-QRWLVFNGSA-N 477.200 5.318 50 10 JKGE C[C@](CBr)(Cc1ccc(Cl)c(I)c1)C1CCCCC1 2337228653 ZLVDVAQAFKLLEX-MRXNPFEDSA-N 455.605 6.469 50 10 JKGE COc1c(Br)cc(C)c([C@H](Br)[C@H](C)C2CCC2)c1Br 2339654583 TZAWPOBDJCRJJR-NOZJJQNGSA-N 455.028 6.401 50 10 JKGE CCC[C@@H](O[C@]1(CI)CCCN(C(=O)OC(C)(C)C)C1)c1ccccc1 2340541418 LSYBJARPEPSDCO-NQIIRXRSSA-N 473.395 5.749 50 10 JKGE C[C@@H](CBr)[C@@H]1CCCCN1Cc1ccc(Cl)cc1I 2341047156 WQYDRFMQNWJXBL-NHYWBVRUSA-N 456.593 5.330 50 10 JKGE FC1(F)CC2(C1)C[C@]2(CBr)Cc1ccc(Cl)cc1I 2341053489 YHAVMYFHMZIBOP-LBPRGKRZSA-N 461.515 5.688 50 10 JKGE Brc1cc(C[C@@H]2C[C@@H]3CCCC[C@H]3[C@@H]2Br)ccc1I 2349778624 NCYMBRVQJQUJAY-VPWBDBDCSA-N 498.040 6.186 50 10 JKGE Cl[C@@H]1C[C@@H](Cc2ccc(I)c(Br)c2)CC2(CCC2)C1 2349780573 GPSCZXWRHJHQGN-CHWSQXEVSA-N 453.589 6.174 50 10 JKGE C=CC[C@@]1(CCl)CCN(Cc2ccc(I)c(Br)c2)C1 2349826949 GYRPBFOEIZWPRF-HNNXBMFYSA-N 454.577 5.061 50 10 JKGE Clc1ccc(I)cc1CN1[C@H]2CCC[C@H]2C[C@@H]1CBr 2352409115 DCDYQUAPRUOUFT-ZBINZKHDSA-N 454.577 5.083 50 10 JKGE Cc1cccc([C@H](CBr)OCc2cc(Br)cc(Br)c2)c1 2362240129 OCRCUCBLKAIQJK-INIZCTEOSA-N 463.007 6.173 50 10 JKGE C[C@@H]1CC[C@H](C(C)(C)Cc2ccc(Cl)c(I)c2)[C@H](Br)C1 2362431312 FLFBFQYDVWJTKQ-KWCYVHTRSA-N 469.632 6.713 50 10 JKGE FC(F)(F)[C@]12C[C@]([C@H](Cl)c3cc(Br)ccc3OCc3ccccc3)(CO1)C2 2363844968 WPLNJEXGNCMNDQ-GUDVDZBRSA-N 461.705 6.420 50 10 JKGE COc1c(Br)cc(C)c([C@@H](Br)Cc2ccccc2)c1Br 2365189470 VLYFNDGQOBJEMN-LBPRGKRZSA-N 463.007 6.207 50 10 JKGE COc1c(Br)cc(C)c([C@@H](Br)CC2CCOCC2)c1Br 2365193534 IYQPHASQPKJCQP-NSHDSACASA-N 471.027 5.781 50 10 JKGE CC[C@](CBr)(Cc1cc(I)ccc1Cl)c1ccccc1 2380530535 CZHOHWUXJUKBIA-QGZVFWFLSA-N 463.584 6.230 50 10 JKGE Cc1cc(Br)c(C(C)C)cc1[C@H](Br)c1nn(C)nc1Br 2380949297 LCNUFSMGLBEVIB-LBPRGKRZSA-N 466.015 5.256 50 10 JKGE N#CC1=C(N)N2C(=C(C#N)[C@H]1c1ccc(-c3ccc(Cl)c(Cl)c3)o1)Sc1ccccc12 2428237 GJIUJQZXHHZUAJ-NRFANRHFSA-N 463.349 6.392 50 10 JKGE N#C/C(=C\c1cn(-c2ccccc2)nc1-c1cc2ccccc2o1)S(=O)(=O)c1ccc(Cl)cc1 3635781 BXWCMVWRTHUZLT-OEAKJJBVSA-N 485.952 6.277 50 10 JKGE CCc1ccc([C@@H]2C(C#N)=C(N)N(c3ccccc3Cl)C3=C2C(=O)C[C@H](c2ccccc2)C3)s1 9981973 FDUSWSMLSIIDSM-DWXRJYCRSA-N 486.040 6.662 50 10 JKGE Cc1ccc(N/C(SCc2c(F)cccc2Cl)=C(/C#N)S(=O)(=O)c2ccccc2)cc1C 20325130 HFNHMXMXUPGGLD-WCWDXBQESA-N 487.021 6.608 50 10 JKGE CCOC(=O)c1ccc(-c2ccc(/C=C(\C#N)c3nc(-c4ccc(Cl)cc4)cs3)o2)cc1 28356298 QVCHCAUMLRFMCK-CPNJWEJPSA-N 460.942 6.964 50 10 JKGE O=C(Oc1ccc(Br)cc1/C=N\NC(=O)c1ccc(Cl)cc1Cl)c1ccccc1 33601268 CEGMPVRXCBMMEO-ROTLSHHCSA-N 492.156 5.739 50 10 JKGE N#C/C(=C/c1c(OCc2ccc(Br)cc2)ccc2ccccc12)C(=O)NCc1ccccc1 35351953 OUDRDTLEIJGZPR-KQWNVCNZSA-N 497.392 6.405 50 10 JKGE CCCCSc1ccc(-c2nn(-c3ccccc3)cc2/C=C(\C#N)S(=O)(=O)c2ccccc2)cc1 35445928 HLQVSMFPEKSIHY-ZXVVBBHZSA-N 499.661 6.770 50 10 JKGE N#C/C(=C\c1ccccc1OCC(=O)Nc1ccccc1)c1nc(-c2ccc(Cl)cc2)cs1 35519799 HFMTWXXQNSTIPB-XSFVSMFZSA-N 471.969 6.545 50 10 JKGE Cc1cccc(C)c1OCC(=O)Oc1ccc2c(c1)OC(N)=C(C#N)[C@@H]2c1ccc(C(C)C)cc1 38649503 ZSPGGMNZEDFXCW-HHHXNRCGSA-N 468.553 5.629 50 10 JKGE N#CC1=C(N)Oc2cc(OC(=O)c3ccc(Cl)cc3)ccc2[C@@H]1c1ccc(Cl)cc1Cl 38655171 VREWJKYHSCAGEJ-NRFANRHFSA-N 471.727 6.084 50 10 JKGE CCCOc1ccccc1C(=O)Oc1ccc2c(c1)OC(N)=C(C#N)[C@H]2c1c(F)cccc1Cl 38680685 BBLAJHUXTCYHET-QHCPKHFHSA-N 478.907 5.705 50 10 JKGE CCOc1ccccc1NC(=O)c1oc2c(c1C)/C(=N/NC(=O)c1ccccc1Cl)CCC2 40812587 LXFBIMFMJAWSJQ-TURZUDJPSA-N 465.937 5.363 50 10 JKGE CC(C)c1ccc(/C=N/NC(=O)COc2ccc(-c3ccccc3)cc2Br)cc1 40910723 RBLFJCGORLLKKX-CVKSISIWSA-N 451.364 5.769 50 10 JKGE CCc1ccc(OCCCC(=O)N/N=C/c2ccccc2OCc2ccccc2)c(Br)c1 40959432 NMLREDWEAHPHGE-MTDXEUNCSA-N 495.417 5.900 50 10 JKGE Cc1cccc(C(=O)Oc2ccc3ccccc3c2/C=N/NC(=O)c2ccc(C(C)(C)C)cc2)c1 48573816 JGPWWHNXMDPCFB-ZCTHSVRISA-N 464.565 6.429 50 10 JKGE CCOc1ccc([C@@H](O)CCC(=O)N/N=C\c2ccc(OCc3cccc4ccccc34)cc2)cc1 58893725 NDARDSZSHPTXFO-YKQTVREQSA-N 482.580 5.781 50 10 JKGE CC1(C)CC(=O)C2=C(C1)Nc1ccccc1N(C(=O)CCl)[C@H]2c1ccc(Cl)c(Cl)c1 59256785 FCHYWEGVZCHTSO-QFIPXVFZSA-N 463.792 6.375 50 10 JKGE Cc1cccc(/C=N/NC(=O)c2ccc(-c3ccc(C(=O)N/N=C/c4cccc(C)c4)cc3)cc2)c1 59475100 OTJZWCXLDRTRRQ-GKTLAHRSSA-N 474.564 5.498 50 10 JKGE COc1ccccc1CN(C(=O)CCl)[C@@H](C(=O)NC1CCCCCC1)c1ccc(C)cc1 97914912 YANIATAPVJXQOY-RUZDIDTESA-N 457.014 5.151 50 10 JKGE CC(C)c1ccc(OCC(=O)NN=C2CCCCCCCCCCC2)c(Br)c1 100429207 DYIYAUSCPXILLL-UHFFFAOYSA-N 451.449 6.728 50 10 JKGE CCCCCN1C(=O)C(C#N)=C(C)/C(=C\c2cn(-c3ccccc3)nc2-c2cccc(OC)c2)C1=O 101333369 GVYFOEMSEYWCDX-KOEQRZSOSA-N 480.568 5.330 50 10 JKGE Cc1ccccc1N/C(SCc1ccccc1Cl)=C(\C#N)C(=O)NCc1cccs1 105422535 PUSWYUDWVLOJQC-NMWGTECJSA-N 454.020 6.107 50 10 JKGE CCCCCOc1ccc(/C=C/C(=O)Oc2cccc(/C=C(/C#N)C(=O)OCC)c2)cc1OC 206679825 KOHRAEJDPDWSBD-KNHRRAQVSA-N 463.530 5.353 50 10 JKGE Cc1cccc(N2CCN(/C=C(/C#N)C(=O)Nc3ccccc3Sc3ccccc3)CC2)c1C 217243914 QOOYVIAILGNZJN-ATJXCDBQSA-N 468.626 5.623 50 10 JKGE Brc1cc2c(c([C@H](Br)c3ccc(Br)s3)c1)OCC2 228444006 HYPMERRDVTUWPR-LBPRGKRZSA-N 452.993 5.692 50 10 JKGE Brc1cc([C@@H](Br)C2Cc3ccccc3C2)sc1Br 232467842 ASZSBVPIYVYDSA-ZDUSSCGKSA-N 451.021 6.124 50 10 JKGE CCCc1ccc([C@H](Br)c2cc(Br)sc2Br)cc1 233409616 KTUWQOLWPXGUQN-ZDUSSCGKSA-N 453.037 6.710 50 10 JKGE COc1cc(Cl)c([C@@H](Br)c2ccc(Cl)c(Br)c2)cc1Cl 235019015 WJZDFQWQAQOBFR-AWEZNQCLSA-N 459.392 6.902 50 10 JKGE Fc1ccc([C@H](Br)c2cc(I)ccc2Br)cc1F 236248031 LRPYVBDUIBGZBU-ZDUSSCGKSA-N 487.907 5.816 50 10 JKGE COc1ccc(C=NNC(=O)CSc2nc3ccccc3s2)cc1OCc1ccccc1Cl 252615174 JQFKKMBJSXNKEU-UHFFFAOYSA-N 498.029 5.780 50 10 JKGE CCOc1cc(C=NNC(=O)c2ccc(OC)cc2)ccc1OCc1ccc(Cl)c(Cl)c1 252641353 ZCSUMFWIHIOIBQ-UHFFFAOYSA-N 473.356 5.744 50 10 JKGE CCC(C)(C)c1ccc(OCCCC(=O)NN=Cc2ccc(OC)c(O)c2)c(C(C)(C)CC)c1 254491630 CVLGGEVANOFTRF-UHFFFAOYSA-N 468.638 6.085 50 10 JKGE CC[C@@H]1CCc2sc(C(=O)NN=C(C)c3ccc(NS(=O)(=O)c4ccc(C)cc4)cc3)cc2C1 263630617 QPLFGLNHTBSFPB-LJQANCHMSA-N 495.670 5.526 50 10 JKGE O=C(Nc1ccccc1CCl)c1cc(I)ccc1Br 300462850 AVPOGMSSXZNBFA-UHFFFAOYSA-N 450.501 5.045 50 10 JKGE C[C@H](Br)C[C@@H]1CCCN1C(=O)c1cc(Br)sc1Br 310696684 UOHNCXRMORLBBK-YUMQZZPRSA-N 460.029 5.051 50 10 JKGE Fc1cc(Br)c([C@@H](Cl)c2cc(Br)c(Br)s2)c(F)c1F 398535989 UPPOMOBZZZQJGU-QMMMGPOBSA-N 499.371 6.781 50 10 JKGE Clc1cc([C@H](Cl)c2cccc(I)c2)c(Cl)c(Cl)c1Cl 404721765 KTLATMBTOWIISZ-SNVBAGLBSA-N 466.360 7.233 50 10 JKGE Cc1cc([C@H](Br)c2cc(Cl)c(Cl)c(Cl)c2Cl)sc1Br 404877988 QFBLIHTXQIGWSO-MRVPVSSYSA-N 483.867 7.917 50 10 JKGE C[C@@]1(n2c(CCCl)nc3cc(I)c(F)cc32)CCN(Cc2ccccc2)C1 405949001 DTDLNERXEDSOKV-OAQYLSRUSA-N 497.783 5.182 50 10 JKGE CC(C)(C)[Si](C)(C)OCCc1ccc([C@H]2CN(Cc3ccccc3)c3ccccc3N2)cc1 616686428 ZFJJFRWXAUCWKY-HHHXNRCGSA-N 458.722 7.424 50 10 JKGE C[C@@H](CCn1c(CCCl)nc2ccc(F)c(Br)c21)N(C)Cc1ccccc1 689734240 VFUKRFBMZMVFRS-HNNXBMFYSA-N 452.799 5.630 50 10 JKGE BrCc1cc(Br)c(OCc2csc(C3CC3)n2)c(Br)c1 694939944 QQDOOMOJJSSLTL-UHFFFAOYSA-N 482.035 6.019 50 10 JKGE Brc1cc2c(c([C@H](Br)c3ncsc3Br)c1)OCCC2 698690840 YXRVNUGHOJISQC-JTQLQIEISA-N 468.008 5.477 50 10 JKGE CCOc1ccc([C@@H](Cl)c2ccc(I)c(Br)c2)cc1 721604320 OECCOUVCYHTOQO-OAHLLOKOSA-N 451.529 5.781 50 10 JKGE O=C(NN=Cc1ccccc1OCc1ccccc1)c1ccc(NC(=O)C2CCCCC2)cc1 1084011119 GTXJNFJBWLGPGV-UHFFFAOYSA-N 455.558 5.548 50 10 JKGE COc1cc(/C=C(\C#N)C(=O)N(C)C)c(Br)cc1OCc1ccc(Cl)cc1Cl 1084527851 KDQIHKFISGDDME-MKMNVTDBSA-N 484.177 5.339 50 10 JKGE N#C/C(=C/c1cn(Cc2ccccc2Cl)c2ccc(Br)cc12)C(=O)NC1CC1 1084630272 MFEBZVVPPBIYIN-DHDCSXOGSA-N 454.755 5.291 50 10 JKGE Cc1ccc(CNC(=O)c2oc3c(c2C)C(=NNC(=O)c2ccc(Br)cc2)CCC3)cc1 1772744524 YWEGGLKCABUSMW-UHFFFAOYSA-N 494.389 5.059 50 10 JKGE Cc1ccc(NC(=O)c2oc3c(c2C)C(=NNC(=O)c2ccc(Cl)c([N+](=O)[O-])c2)CCC3)cc1 1772746894 BGNYTFAHUIIRGN-UHFFFAOYSA-N 480.908 5.181 50 10 JKGE CC1(C)[C@H](C[C@H](Cl)C(F)(F)F)[C@H]1C(=O)O[C@@H](C#N)c1cccc(Oc2ccccc2)c1 1848437155 IAUVWGRLHYJZGL-FYQPLNBISA-N 451.872 6.419 50 10 JKGE CCOc1cc([C@@H]2C(C#N)=C(N)Oc3c2c(-c2ccccc2)nn3-c2ccc(Cl)cc2)ccc1O 1865681346 KXDPQKJYARKSQS-HSZRJFAPSA-N 484.943 5.515 50 10 JKGE Cc1ccc(C)c(Cn2nc(-c3ccccc3)c3c2OC(N)=C(C#N)[C@@H]3c2cccc3ccccc23)c1 1865682527 QUPWOAJXGHDDQT-NDEPHWFRSA-N 482.587 6.587 50 10 JKGE CCOc1cccc([C@@H]2C(C#N)=C(N)Oc3c2c(C(F)(F)F)nn3-c2cccc(Cl)c2)c1 1865690647 XXCVVTUKYNZEES-QGZVFWFLSA-N 460.843 5.161 50 10 JKGE N#CC1=C(N)Oc2c(c(C(F)(F)F)nn2-c2cccc3ccccc23)[C@H]1c1c[nH]c2ccccc12 1865700087 KTLVIPQYCUPLOW-OAQYLSRUSA-N 471.442 5.744 50 10 JKGE N#CC1=C(N)Oc2c(c(-c3ccccc3)nn2-c2cccc(Cl)c2)[C@@H]1c1ccc(C(F)(F)F)cc1 1865710551 BLOGESYXRMSJBR-OAQYLSRUSA-N 492.888 6.430 50 10 JKGE CC(C)[C@@H]1c2[nH]cnc2CCN1c1cc(Nc2ccc(SC#N)cc2)nc(-c2cccnc2)n1 1868565485 LHZMFXZCWZSMTO-XMMPIXPASA-N 468.590 5.338 50 10 JKGE CC(C)(C)c1ccc(OCCC/C(O)=C(\C#N)c2nc(-c3ccc([N+](=O)[O-])cc3)cs2)cc1 1872746974 ILCRQYVIQPUUEF-LNVKXUELSA-N 463.559 6.668 50 10 JKGE CCCCc1ccc(N2C[C@@H](/C(O)=C(\C#N)c3nc(-c4c(C)cc(C)cc4C)cs3)CC2=O)cc1 1872756962 KDMUWFYQPPEKDI-FTRAKHFHSA-N 485.653 6.924 50 10 JKGE COc1ccc(Cl)cc1-c1csc(/C(C#N)=C(\O)[C@H]2CC(=O)N([C@H](C)c3ccccc3)C2)n1 1872758669 KSSMUMMATGIJLR-GTSQCMTCSA-N 479.989 5.874 50 10 JKGE CCOc1ccc(-c2csc(/C(C#N)=C/c3ccc(OCc4ccc(C)cc4)c(OC)c3)n2)cc1 1872790626 UUNRMVBCHHMKHT-BUVRLJJBSA-N 482.605 7.169 50 10 JKGE CCC[C@@H]1C[C@H]1[C@H](Br)c1c(Br)sc(Br)c1Br 1897487070 ABFPWNOQVINDRT-JKMUOGBPSA-N 495.900 6.908 50 10 JKGE O=C(N[C@@H](CCBr)COCc1ccccc1)c1cccc(OCc2ccccc2)c1 1902796699 QFKGSFNGKIAFFN-QHCPKHFHSA-N 468.391 5.366 50 10 JKGE CC[C@@H]1CC[C@H]([C@@H](Cl)c2c(Br)sc(Br)c2Br)O1 1911024307 UHPLTUCONRJUNR-HCVRKRLWSA-N 467.448 6.273 50 10 JKGE O=C(c1csc(Br)c1Br)N(CCCCl)Cc1ccccc1 1914647857 KTHXXWXSIXUJRT-UHFFFAOYSA-N 451.611 5.544 50 10 JKGE CC(C)[C@H](CBr)N(Cc1ccccc1)C(=O)c1c(Cl)cccc1C(F)(F)F 1915280654 MVRIQEDUZYMMGJ-KRWDZBQOSA-N 462.737 6.421 50 10 JKGE Cc1c(Br)cccc1C(=O)N(Cc1ccccc1)[C@@H](CBr)C(C)C 1915293278 KJLPODQWDKYKCB-IBGZPJMESA-N 453.218 5.819 50 10 JKGE CC(C)[C@@H](CBr)N(Cc1ccccc1)C(=O)c1cc(Cl)cc(Br)c1 1915298169 PWXXUVGCQGMXQS-GOSISDBHSA-N 473.636 6.164 50 10 JKGE O=C(c1ccc2cc(Br)ccc2c1)N(Cc1ccccc1)C1(CBr)CCC1 1915749822 PKLXGIYBVMXZAU-UHFFFAOYSA-N 487.235 6.562 50 10 JKGE Cc1c(Br)sc([C@H](Br)C(C)(C)[C@@H]2CCCO2)c1Br 1922932691 OECGSYFKQDTTAJ-KWQFWETISA-N 461.057 6.223 50 10 JKGE Cc1cc([C@@H](Br)c2c(Br)sc(Br)c2Cl)c(C)o1 1923071790 KVYQOYABQREKBO-MRVPVSSYSA-N 463.416 6.621 50 10 JKGE Fc1cc(Br)ccc1[C@@H](Cl)c1c(Cl)sc(Br)c1Cl 1925589045 RLTJHFSTJRQOLL-MRVPVSSYSA-N 453.385 7.047 50 10 JKGE Fc1cccc([C@H](Br)c2sc(Cl)cc2Br)c1Br 1948828478 KPPRVTAMYRTJID-JTQLQIEISA-N 463.391 6.550 50 10 JKGE Clc1c(Br)sc(Br)c1[C@H](Br)[C@@H]1[C@@H]2CCO[C@H]21 1983249110 IPAFPAWJWHUXOX-BTXXDMFISA-N 451.405 5.397 50 10 JKGE Cl[C@H](c1c(Br)sc(Br)c1Br)[C@@H]1CC2(CC2)CO1 2001646584 MQWPCVLCUFKVFV-XNCJUZBTSA-N 465.432 5.885 50 10 JKGE CC[C@@H](C)[C@@H](CI)NCc1cc(Br)ccc1Br 2023044196 OTDRNDUDLHWWEX-NOZJJQNGSA-N 475.006 5.151 50 10 JKGE FC(F)(F)c1csc([C@@H](Br)c2sncc2Br)c1Br 2028525534 VFTCQCJMTMSPRN-LURJTMIESA-N 485.970 6.233 50 10 JKGE Fc1cc(Cl)c(Br)cc1[C@@H](Cl)c1scc(Br)c1Br 2036564078 IANJWBGTYOHKMG-SNVBAGLBSA-N 497.836 7.156 50 10 JKGE Cc1c(Br)sc([C@H](Br)C2CC(C(F)(F)F)C2)c1Br 2037020468 KPFJHDWLULDOOK-NPWHJSNTSA-N 470.974 6.606 50 10 JKGE Cl[C@H](c1c(Br)sc(Br)c1Br)[C@@H]1CCCC12CCC2 2053379336 YRJQTHKWLDFCPV-XVKPBYJWSA-N 477.487 7.286 50 10 JKGE O=C(NC1(CCCBr)CCC1)c1cc(Br)sc1Br 2084966278 NCDOMEFDLVVNOD-UHFFFAOYSA-N 460.029 5.101 50 10 JKGE C[C@@H](Br)C12CCC(CC1)N2C(=O)c1cc(Br)sc1Br 2097070393 NQAAREFHPPHXGR-UYVLXELHSA-N 472.040 5.194 50 10 JKGE C[C@H](COCc1ccccc1)Cn1c(CCCl)nc2cc(Br)c(Cl)cc21 2103635474 BJRUELRRFWCFCC-AWEZNQCLSA-N 456.211 6.086 50 10 JKGE O=C(NC1(CBr)CC2(CCC2)C1)c1cc(Br)c(Br)s1 2107262600 OVLIRJVXLFRZLW-UHFFFAOYSA-N 472.040 5.101 50 10 JKGE Clc1ccc(CC(CBr)(CBr)C2CCCCC2)c(Br)c1 2144787482 SKHBQCSUHANSHD-UHFFFAOYSA-N 487.501 7.002 50 10 JKGE Clc1ccc(C[C@H](CBr)Cc2ccc(Br)cc2Br)cc1 2148682702 OYUGKLMBLWMCBQ-LBPRGKRZSA-N 481.453 6.661 50 10 JKGE CCN(CCCOCc1ccccc1)S(=O)(=O)c1cc(Cl)cc(CCl)c1Cl 2153182763 VMDSWTNEETYKOT-UHFFFAOYSA-N 450.815 5.350 50 10 JKGE O=C(NC[C@@H]1CCCC[C@H](Br)C1)c1ccc(I)c(Cl)c1 2163746379 ROPTXFPEAMRNRB-PWSUYJOCSA-N 470.576 5.018 50 10 JKGE C[C@@]12CN(Cc3ccccc3)C[C@@]1(C)CN(c1cc(Br)cc(F)c1CCl)C2 2170686297 WDPUJQMFTXBMTO-VXKWHMMOSA-N 451.811 5.675 50 10 JKGE FC(F)(F)C1(COc2c(Br)cc(CBr)cc2Br)CCC1 2191282867 OZULKNUCTAKZLK-UHFFFAOYSA-N 480.944 6.218 50 10 JKGE Clc1cc(Br)c([C@@H](Br)[C@H]2C[C@H](Br)C2)c(Cl)c1Cl 2212845292 ZJUOAFRLJWSDAK-PJPYAQQDSA-N 486.256 7.019 50 10 JKGE Cc1cc(Br)c([C@@H](Br)c2ccc(Br)s2)c(C)c1Cl 2217614429 XPXXPBOVUJXALW-LBPRGKRZSA-N 473.455 7.028 50 10 JKGE O=S(=O)(Cc1ccc(Br)cc1)N(Cc1ccccc1)C1(CBr)CCC1 2218987995 SLHZIMWUUIEOJQ-UHFFFAOYSA-N 487.257 5.099 50 10 JKGE Clc1cc(Br)ccc1C[C@@H](Cl)c1ccccc1I 2221693464 QASPZXPLCPLFHM-CYBMUJFWSA-N 455.948 6.230 50 10 JKGE Fc1cc(Br)c(Br)cc1[C@H](Br)[C@@H]1CCCC2(CC2)C1 2225615819 LXDRLDGNQBBLLD-YMTOWFKASA-N 455.003 6.757 50 10 JKGE Fc1cc(Br)c(Br)cc1[C@@H](Br)CC[C@@H]1CCCCO1 2225615905 AUVYWWFGGDVDDD-ONGXEEELSA-N 458.991 6.136 50 10 JKGE Cc1cc(Br)c([C@H](Br)[C@H]2CCC[C@@H](C)O2)c(C)c1Br 2227361957 ITGWNSBYEPOFSY-DDHOLCJHSA-N 455.028 6.222 50 10 JKGE C[C@]1([C@@H](Br)c2c(Br)cc(Cl)c(Cl)c2Cl)C[C@@H]1C(F)(F)F 2232525650 DNNLIRQVNSPFFJ-CYUDJLOBSA-N 475.357 7.434 50 10 JKGE C[C@H]1C[C@H](n2c(CCl)nc3c(F)cc(Br)cc32)CN(Cc2ccccc2)C1 2232931167 YQJDWOSRPSPYOK-YOEHRIQHSA-N 450.783 5.760 50 10 JKGE COc1cc(Br)c([C@H](Br)c2ccc(C)cc2Br)cc1C 2236008421 MHZKAMONOXIXFL-MRXNPFEDSA-N 463.007 6.321 50 10 JKGE COc1cc([C@H](Br)Cc2ccc(Br)cc2Cl)ccc1Br 2237449457 XPZWACBOBJTRLD-CYBMUJFWSA-N 483.425 6.552 50 10 JKGE Cc1cc([C@@H](Cl)c2ccc3c(c2Br)CCO3)ccc1I 2238067425 PQFJLYWVRZQTHB-MRXNPFEDSA-N 463.540 5.625 50 10 JKGE CC1CC(CC[C@H](Cl)c2c(Br)sc(Br)c2Br)C1 2251773891 XVPAOMHJZGJUAJ-RRQHEKLDSA-N 465.476 7.142 50 10 JKGE Brc1ccc([C@H](Br)c2cc3sc(Br)cc3s2)s1 2252900520 MCVVSKQHIOIODX-NSHDSACASA-N 473.074 7.034 50 10 JKGE CCc1cc([C@@H](Cl)c2ccc(I)c(Cl)c2)sc1Br 2255989423 SWFNXGUMDSALPI-LBPRGKRZSA-N 476.004 6.659 50 10 JKGE COc1ccc([C@@H](Cl)c2cccc(OCc3ccccc3)c2)cc1I 2257373728 OAJRXZKTEZCGQL-NRFANRHFSA-N 464.730 6.207 50 10 JKGE FC(F)(F)c1csc([C@H](Br)c2cc(Br)co2)c1Br 2258106864 JZXFHDXVCJTVDP-MRVPVSSYSA-N 468.914 6.369 50 10 JKGE Clc1c(Br)sc(Br)c1[C@H](Br)[C@]12CCCC[C@H]1CC2 2260511330 HINPQWRGOYCQQF-TXMMPKFLSA-N 477.487 7.333 50 10 JKGE Fc1cc(F)c([C@@H](Cl)c2scc(Br)c2Cl)c(F)c1Br 2264606824 FPBGLFGBIBKFMJ-SECBINFHSA-N 454.920 6.672 50 10 JKGE Cl[C@H](c1ccc(C2CCC2)s1)c1cc(Br)ccc1I 2271972250 YRKBXSHRHJQSGS-HNNXBMFYSA-N 467.597 6.711 50 10 JKGE COc1c(Br)cc(C)cc1[C@H](Br)c1cccc(Cl)c1Br 2283190729 CKQAHUJCZRQUBC-CYBMUJFWSA-N 483.425 6.666 50 10 JKGE Clc1cccc([C@H](Br)c2csc3c(Br)cccc23)c1Br 2283201012 YRQGLUJULRSMCZ-ZDUSSCGKSA-N 495.461 7.564 50 10 JKGE COc1ccc([C@H](Cl)c2cccc(Cl)c2Br)c(Br)c1Cl 2283556057 ZSRBIYXBKGHZMU-CYBMUJFWSA-N 459.392 6.855 50 10 JKGE COc1cc(C)c(Br)c(C)c1[C@H](Br)c1cc(C)c(Br)s1 2285075533 UFYYCAHCMCKPNW-CQSZACIVSA-N 483.063 6.691 50 10 JKGE COc1cc(C)c(Br)c(C)c1[C@@H](Br)c1ccc(OCc2ccccc2)cc1 2285091589 OYWUECSNKAYHQD-QHCPKHFHSA-N 490.235 7.138 50 10 JKGE CCOC(=O)C(C#N)=Cc1cc(Br)ccc1OCCOc1ccc([C@H](C)CC)cc1 2293328979 UGRGUZMJRYUGJK-QGZVFWFLSA-N 472.379 5.890 50 10 JKGE Cc1ccc(NC(=O)C(C#N)=Cc2cc(C)n(-c3ccc(OCc4ccc(F)cc4)cc3)c2C)cc1 2294175240 ITUZSKPMKQUKDM-UHFFFAOYSA-N 479.555 6.666 50 10 JKGE N#CC(=Cc1ccc(-c2ccc(F)cc2)o1)C(=O)Nc1ncc(Cc2cccc(Cl)c2Cl)s1 2296818997 JKFJPZORKMTUKY-UHFFFAOYSA-N 498.366 6.985 50 10 JKGE Cc1ccc(NC(=O)C(C#N)=C2S[C@H](Cc3ccccc3C)C(=O)N2c2ccc(C)cc2)cc1 2296835105 ZNLHRHBTFXMODL-RUZDIDTESA-N 467.594 5.677 50 10 JKGE Cc1ccc(NC=C(C=O)c2nc3ccccc3o2)cc1NC=C(C=O)c1nc2ccccc2o1 2297320358 SIFYPWGAWZGTMF-UHFFFAOYSA-N 464.481 5.581 50 10 JKGE Cc1ccc(NC(=O)C(C#N)=C2S[C@@H](Cc3ccccc3C)C(=O)N2c2ccc(Cl)cc2)cc1 2297458580 GBTSLOAKFWVWSE-DEOSSOPVSA-N 488.012 6.022 50 10 JKGE Cc1ccc2cc(C=C(C#N)c3nc(-c4ccc(-c5ccccc5)cc4)cs3)c(Cl)nc2c1 2297624090 DLZUNUGQDCIEED-UHFFFAOYSA-N 463.993 8.051 50 10 JKGE C[C@H]1OC2([C@H](Br)c3ccc(OCc4ccccc4)cc3Br)CC1C2 2299533612 UYRDKOSTIXCGKU-FGERZBBPSA-N 452.186 6.032 50 10 JKGE Cc1ccc(C)c(NC(=O)C(C#N)=Cc2ccc(OCc3ccc(Cl)cc3Cl)cc2)c1 2313560686 CEZIEVDIWPKMMV-UHFFFAOYSA-N 451.353 6.735 50 10 JKGE N#CC(=Cc1cn(Cc2ccc(Cl)cc2Cl)c2ccccc12)C(=O)Nc1ccccc1Cl 2313631141 LFIITMOEQLUIDY-UHFFFAOYSA-N 480.782 7.195 50 10 JKGE Brc1ccc(OCc2ccccc2)c([C@H](Br)[C@@H]2C[C@H]3O[C@H]2[C@@H]2C[C@@H]32)c1 2314454600 HMUGMSWDPLPRHC-HBTYPCRISA-N 464.197 5.888 50 10 JKGE CNC(=O)C(C#N)=C1S[C@@H](Cc2cc(C(F)(F)F)ccc2Cl)C(=O)N1c1ccc(C)c(C)c1 2314593601 PVZTUVHDAAOWOD-IBGZPJMESA-N 493.938 5.148 50 10 JKGE Fc1c(Br)cc(Cl)c([C@H](Br)[C@H](F)C(F)(F)F)c1Br 2315446478 FYPWWRDGWRPQBW-XPUUQOCRSA-N 481.278 6.341 50 10 JKGE C[C@@H]([C@@H](Br)c1c(Cl)cc(Br)c(F)c1Br)C(C)(C)C 2315451119 LIPARSVZZUZZSH-QUBYGPBYSA-N 465.426 7.122 50 10 JKGE COc1cc(C=NNC(=O)c2ccc(-c3ccccc3OC)nc2C)ccc1OCc1ccccc1 2321251685 COBWDMXAABZWIP-UHFFFAOYSA-N 481.552 5.417 50 10 JKGE CCCCOc1ccc(C=NNC(=O)c2cc(-c3ccccc3)nc(N3CCCCC3)n2)cc1 2323756563 OBOUVTOKSJKPQP-UHFFFAOYSA-N 457.578 5.077 50 10 JKGE CC1(CBr)CCN(Cc2ccc(I)c(Br)c2)CC1 2325208724 XPZZMCKNCGHVDO-UHFFFAOYSA-N 487.017 5.051 50 10 JKGE COc1cc(C=C(C#N)c2ccc(C(=O)OC(C)C)o2)ccc1OCc1cccc(Cl)c1 2331048947 OMUXJVLMKPXVAM-UHFFFAOYSA-N 451.906 6.150 50 10 JKGE CC[C@H](C)N1C(=O)c2ccc(C(O)=C(C#N)c3nc(-c4cccc([N+](=O)[O-])c4)cs3)cc2C1=O 2331232876 STMPHZKBJCLTCI-ZDUSSCGKSA-N 474.498 5.063 50 10 JKGE CCCOc1ccc(-c2csc(C(C#N)=C(O)c3cccc4ccccc34)n2)cc1OCCC 2331293449 MYNFJOFZGLMTCI-UHFFFAOYSA-N 470.594 7.491 50 10 JKGE CC[C@@H](C)N1C(=O)c2ccc(C(O)=C(C#N)c3nc(-c4cc(Cl)ccc4Cl)cs3)cc2C1=O 2331403725 CBIDLVLAFBOIDX-GFCCVEGCSA-N 498.391 6.461 50 10 JKGE COc1ccc(-c2csc(C(C#N)=C(O)CCN3C(=O)c4ccccc4C3=O)n2)c2ccccc12 2331405083 ONLLIKFBGLOOON-UHFFFAOYSA-N 481.533 5.451 50 10 JKGE COc1ccc(-c2csc(C(C#N)=C(O)c3ccccc3C(=O)c3ccccc3)n2)c(OC)c1OC 2331412714 ZTXPMVCAUHQETB-UHFFFAOYSA-N 498.560 6.017 50 10 JKGE COc1cc(C=C(C#N)c2nc(-c3ccc(C(C)(C)C)cc3)cs2)cc(Br)c1O 2331453408 QLKISQHLNJRUIS-UHFFFAOYSA-N 469.404 6.648 50 10 JKGE CCOc1ccc(-c2csc(C(C#N)=Cc3ccc(OCc4ccc(C)cc4)cc3)n2)c(OCC)c1 2331473483 BJGQXSHBVVRTEX-UHFFFAOYSA-N 496.632 7.559 50 10 JKGE COc1ccc2ccccc2c1C=C(C#N)c1nc(-c2cc(Cl)c(OC)c(Cl)c2)cs1 2331480375 LWXFXGMDZHYPMN-UHFFFAOYSA-N 467.377 7.351 50 10 JKGE COCC1([C@H](Br)c2c(C)cc(Br)c(F)c2Br)CCC1 2339654068 PCEXJLNEZONSGG-CYBMUJFWSA-N 458.991 5.912 50 10 JKGE Cc1cc(Br)c(F)c(Br)c1[C@@H](Br)c1ccccc1F 2339674440 LFZAQKJZTCURIE-LBPRGKRZSA-N 454.934 6.283 50 10 JKGE COc1c(Br)cc(C)c([C@H](Br)CC2(OC)CC2)c1Br 2339689840 GAAHYDBUFSPGIB-SNVBAGLBSA-N 457.000 5.534 50 10 JKGE COCc1ccc([C@H](Br)c2ccc(Br)c(C)c2Br)s1 2342062719 AYYGCIORRFNRDC-CQSZACIVSA-N 469.036 6.212 50 10 JKGE ClC[C@@H]1CCC[C@H](CNCc2ccc(I)c(Br)c2)C1 2349829400 OJDXMPMIPBYVEC-NEPJUHHUSA-N 456.593 5.189 50 10 JKGE Fc1ccc(Cl)c([C@@H](Br)c2c(F)cc(Cl)c(Br)c2Cl)c1 2360492796 NLKVJYSTOOVRPB-LLVKDONJSA-N 465.346 7.172 50 10 JKGE Fc1c(Br)cc(Cl)c([C@@H](Br)C2CC(C3CCC3)C2)c1Br 2362227553 GTJJMBITRCBHFB-RPTIHFLNSA-N 489.448 7.266 50 10 JKGE CO[C@@H]1CCC[C@@H]([C@@H](Br)c2c(Cl)cc(Br)c(F)c2Br)C1 2362232966 ULWVAHLWGKHZKZ-DNSOKLHBSA-N 493.436 6.645 50 10 JKGE Cc1cc(Br)c(F)c(Br)c1[C@@H](Br)[C@@H]1COC2(CCC2)C1 2365228069 MEPKUEKJYBPAMD-CABZTGNLSA-N 471.002 6.054 50 10 JKGE C[C@@H]1CCC[C@](CBr)(NC(=O)c2ccc(Cl)cc2I)C1 2365588590 LOMPZEFHAWJXNA-BMIGLBTASA-N 470.576 5.018 50 10 JKGE Clc1cc(Cl)cc(CC[C@@H](Cl)c2c(Br)sc(Br)c2Cl)c1 2366791542 BRTHGHZZQXTYTP-SECBINFHSA-N 497.894 8.146 50 10 JKGE CC(C)(C)Oc1ccc([C@H](Cl)c2cscc2OCc2ccccc2)cc1Br 2381318088 WFPFYYUXFADQPO-NRFANRHFSA-N 465.840 7.595 50 10 JKGE FC(F)(F)CC1CCC([C@@H](Cl)c2cc(Br)sc2Br)CC1 2381925850 WRRUTACRBBSKHO-OIAXGBPSSA-N 454.577 7.312 50 10 JKGE O=C(NC1CCCCCC1)[C@@H](c1ccc(F)cc1Cl)N(Cc1cccs1)C(=O)CCl 3039213 KQESJVUPOVKLJY-OAQYLSRUSA-N 471.425 5.688 50 10 JKGE N#C/C(=C\c1ccccc1Cl)c1cn(-c2ncc(C(F)(F)F)cc2Cl)c2ccccc12 3050178 YLALIUJPPUCXBL-OQLLNIDSSA-N 458.270 7.415 50 10 JKGE C=CCOc1ccc(C(=O)NNC(=O)c2ccc(OCCCCCC)c(Br)c2)cc1 14640804 SMUJDGCOILVGHF-UHFFFAOYSA-N 475.383 5.048 50 10 JKGE Cc1ccc(COc2ccc(/C=C(/C#N)C(=O)Nc3sc4c(c3C#N)CCCC4)cc2)cc1 33654540 MZPJNLIBYXSNKM-STZFKDTASA-N 453.567 5.932 50 10 JKGE CCCCOc1ccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4ccc(F)cc4)ccc32)cc1 38650766 MIYPWKRNVGHNQZ-VWLOTQADSA-N 458.489 5.442 50 10 JKGE Cc1ccc(Oc2nc3c(C)cccn3c(=O)c2/C=C(/C#N)C(=O)Nc2cc(C)ccc2C)cc1 39858558 FDKYUMHUSHDRLH-QNGOZBTKSA-N 464.525 5.266 50 10 JKGE C[C@@H](NC(=O)/C(C#N)=C/c1ccc(OCc2ccc(Cl)cc2Cl)cc1)c1ccccc1 40007542 MYVYWVXJXYVNJY-VYVDHXHBSA-N 451.353 6.357 50 10 JKGE Cc1ccccc1C(=O)N/N=C1\CCCc2oc(C(=O)Oc3cccc4cccnc34)c(C)c21 40811552 NLPLIIVOWUUPIN-ZTKZIYFRSA-N 453.498 5.134 50 10 JKGE Cc1c(C(=O)Nc2nc3ccccc3s2)oc2c1/C(=N/NC(=O)c1ccc(Cl)cc1)CCC2 40811664 YQPAXGYNEWNCRK-OGLMXYFKSA-N 478.961 5.574 50 10 JKGE COc1cc(/C=C(\C#N)c2ccc(Cl)cc2)ccc1OC(=O)CCc1ccc(Cl)cc1 40995335 XGLPXGISTNMVHF-XSFVSMFZSA-N 452.337 6.604 50 10 JKGE O=C(CSc1c(Cl)c(Cl)c(Cl)c(Cl)c1Cl)N/N=C/c1ccccc1Cl 59153517 FUOPPSNFELXLHL-RREIPUBJSA-N 477.027 6.849 50 10 JKGE CCOc1cc(OCC)c(/C=C(\C#N)C(=O)Nc2cccc(Cl)c2Cl)cc1Br 59336385 BLUMDPAQDURUSW-MDWZMJQESA-N 484.177 6.099 50 10 JKGE CCCCOc1ccc(/C=C(\C#N)C(=O)Nc2ccc(CCCC)cc2Br)cc1 64985654 AXFHXGGQMPURNI-HMMYKYKNSA-N 455.396 6.516 50 10 JKGE Cc1cc([C@@H](Br)c2ccc(F)cc2Br)c(C)cc1Br 70472083 GYTIHPOYTZTLPA-HNNXBMFYSA-N 450.971 6.452 50 10 JKGE CCCNC(=O)/C(C#N)=C\c1ccc(OC)c(CSc2nc(C(F)(F)F)cc(C)c2C#N)c1 96438829 ADTKCDKNPHMXPP-SXGWCWSVSA-N 474.508 5.015 50 10 JKGE CCOc1cccc(NC(=O)/C(C#N)=C\c2ccc(COc3ccc(Br)cc3)cc2)c1 97499160 MXZCOTOVUCQGLW-ZHZULCJRSA-N 477.358 5.972 50 10 JKGE C[C@@H]1CCCC[C@H]1NC(=O)[C@@H](c1ccccc1Cl)N(C(=O)CCl)c1ccc(Cl)cc1 97914407 FSIWTYUJPYINQH-RBQRDFNRSA-N 467.824 6.001 50 10 JKGE O=P(Cl)(Oc1c(Cl)cc(Cl)cc1Cl)Oc1c(Cl)cc(Cl)cc1Cl 111468068 DXKZQNUSKZOLTC-UHFFFAOYSA-N 475.306 8.412 50 10 JKGE CCOC(=O)c1c(NC(=O)/C(C#N)=C\c2ccc(OC)c(OC)c2)sc2c1CC[C@@H](CC)C2 209406555 GTIXVUIUSPBUNM-QJISPJEISA-N 468.575 5.003 50 10 JKGE CCCOc1ccc(-c2nn(-c3ccccc3)cc2/C=C2\C(=O)N(CCC)C(=O)C(C#N)=C2C)cc1 214217436 CPGQEUKXVUXNNA-UQQQWYQISA-N 480.568 5.330 50 10 JKGE N#C/C(=C/Nc1ccc(Cl)c(C(F)(F)F)c1)C(=O)NC1CCCCCCCCCCC1 217259730 LABLVVFMFKCGHI-MSUUIHNZSA-N 455.952 6.968 50 10 JKGE Clc1cc([C@H](Br)c2cc(Br)cc3c2OCC3)ccc1Br 228445672 NWFARYNUHJJMGQ-AWEZNQCLSA-N 481.409 6.284 50 10 JKGE O=C1Cc2cc([C@H](Br)c3cc(Br)cc(Br)c3)ccc2N1 232484523 PVQKVXWHVFOXQQ-HNNXBMFYSA-N 459.963 5.191 50 10 JKGE COc1cc(F)c(Br)cc1[C@H](Cl)c1csc(I)c1 234925558 CVBDCXSEVQRLKI-GFCCVEGCSA-N 461.521 5.591 50 10 JKGE CCCOc1ccc(/C=C(/NC(=O)c2ccccc2)C(=O)NN=C(CC)c2ccccc2)cc1 254475002 HTUOJGYZVZTMPW-LYEHKKAZSA-N 455.558 5.177 50 10 JKGE Cc1cccc([C@H](Br)c2cc(Cl)c(Br)cc2F)c1Br 300465359 ACJDIDVKROVPBH-AWEZNQCLSA-N 471.389 6.797 50 10 JKGE Cl[C@H](c1ccc(Br)cc1Br)c1cc2c(cc1Br)OCC2 308437467 RMYBJJZZKMINAU-OAHLLOKOSA-N 481.409 6.237 50 10 JKGE COc1ccc(C[C@@H](Br)c2sccc2I)cc1OC 311686162 KACFELPYGUFPMP-SNVBAGLBSA-N 453.139 5.049 50 10 JKGE Cc1nn(C)c(Cl)c1COc1c(Br)cc(Br)cc1CBr 380419804 WXZGHVPUGODJCA-UHFFFAOYSA-N 487.417 5.381 50 10 JKGE CSc1ccc([C@H]2CN(C(=O)OCc3ccccc3)C[C@@H]2CI)cc1 382690247 MOXXLIZFHGNUEN-PKOBYXMFSA-N 467.372 5.196 50 10 JKGE CC(C)(C)OC(=O)N1C[C@@H](CBr)[C@H](c2ccc(Br)cc2Cl)C1 382704240 DUTAEHYUJIKUOH-ZWNOBZJWSA-N 453.602 5.448 50 10 JKGE FC(F)(F)c1csc([C@H](Cl)c2sccc2I)c1Br 394137866 RFOSOGQSZXZTNL-SSDOTTSWSA-N 487.531 6.524 50 10 JKGE C[C@@]1(Cn2c(CCl)nc3cc(I)c(F)cc32)CCCN1Cc1ccccc1 398048529 DGHCISAUJFNJTJ-NRFANRHFSA-N 497.783 5.574 50 10 JKGE CC(C)(C)[Si](C)(C)OCc1ccccc1[C@@H]1CCN(S(=O)(=O)c2ccccc2)c2ccccc21 616585849 CWBKKTSNEBECOA-VWLOTQADSA-N 493.745 6.939 50 10 JKGE CC(C)c1cccc(C(C)C)c1/N=C1\CCCCC[C@H]1P(c1ccccc1)c1ccccc1 642814455 YVPAXBNOSCZYOC-SKDBZILTSA-N 455.626 8.472 50 10 JKGE CCn1cc([C@@H](Cl)c2scc(C(F)(F)F)c2Br)nc1Br 698389084 FQRVQIZYRDGDTR-MRVPVSSYSA-N 452.521 5.837 50 10 JKGE COc1ccc([C@H](Cl)c2ccc(I)c(Br)c2)cc1F 721601094 CUGDKUNDBLKYHE-CQSZACIVSA-N 455.492 5.530 50 10 JKGE COc1ccc([N+](=O)[O-])cc1-c1ccc(C=NNC(=O)c2cc3cc(Br)ccc3o2)o1 1084283289 AYDMWMBADNMJLL-UHFFFAOYSA-N 484.262 5.136 50 10 JKGE N#C/C(=C/c1cc(Cl)ccc1OCc1ccccc1F)C(=O)Nc1cccc([N+](=O)[O-])c1 1084286565 SPWICIXFEDMFCN-YVLHZVERSA-N 451.841 5.512 50 10 JKGE O=C(CC[C@@H](O)c1ccccc1)NN=Cc1cc(Cl)c(OCc2ccccc2Cl)c(Cl)c1 1084560026 MGTCMTZQCHSUHX-JOCHJYFZSA-N 491.802 6.190 50 10 JKGE COc1ccccc1C(=O)NN=C1CCCc2oc(C(=O)N3c4ccc(F)cc4CC[C@H]3C)c(C)c21 1772745563 BHAUXTNXAQEICH-MRXNPFEDSA-N 489.547 5.188 50 10 JKGE COc1cc(C=NNC(=O)COc2cc(C)cc(C)c2C)ccc1OCc1ccc(Cl)cc1 1772753313 PTSFHQQUFOKSAB-UHFFFAOYSA-N 466.965 5.382 50 10 JKGE CCOc1cc(C=NNC(=O)CSc2nc(-c3ccc(Cl)cc3)cs2)ccc1OC(C)C 1772754917 WEMISYGMYGBKHF-UHFFFAOYSA-N 490.050 5.892 50 10 JKGE CCOc1ccccc1C=NNC(=O)CCCOc1ccc(C(C)(C)C)cc1Br 1772755530 LATXUCZACZORGR-UHFFFAOYSA-N 461.400 5.455 50 10 JKGE N#CSc1ccc(NC(=O)Nc2ncccc2OCC(=O)Nc2cccc(Cl)c2Cl)cc1 1858833368 GZKSBDOGTMTFJK-UHFFFAOYSA-N 488.356 5.623 50 10 JKGE COc1ccc(-c2nn(Cc3ccccc3F)c3c2[C@H](c2ccc(Cl)cc2)C(C#N)=C(N)O3)cc1 1865682978 CFYBKCLPMNHYFW-HSZRJFAPSA-N 486.934 5.618 50 10 JKGE COc1cc([C@@H]2C(C#N)=C(N)Oc3c2c(C)nn3-c2cccc(Cl)c2)ccc1OCc1ccccc1 1865687462 RQKMAYHQHLFSBS-AREMUKBSSA-N 498.970 5.640 50 10 JKGE CCCCOc1ccc([C@@H]2C(C#N)=C(N)Oc3c2c(C)nn3Cc2ccc(F)cc2)cc1OCC 1865687690 XYSGAZTYWPKQKG-RUZDIDTESA-N 476.552 5.175 50 10 JKGE CCCc1nn(CCC)c2c1[C@@H](c1ccc(OCc3ccc(C)cc3)c(OCC)c1)C(C#N)=C(N)O2 1865687777 AHSPDVZPWQKRLB-SANMLTNESA-N 486.616 5.750 50 10 JKGE CCCCCOc1ccc([C@@H]2C(C#N)=C(N)Oc3c2c(C)nn3-c2cccc(Cl)c2)cc1OC 1865696015 WHFCYLSMVJXMRB-XMMPIXPASA-N 478.980 5.630 50 10 JKGE COc1cc([C@H]2C(C#N)=C(N)Oc3c2c(C)nn3-c2ccccc2)ccc1OCCCc1ccccc1 1865696615 IPSSRMJGLHSFDQ-NDEPHWFRSA-N 492.579 5.419 50 10 JKGE CCCOc1ccccc1[C@H]1C(C#N)=C(N)Oc2c1c(-c1ccccc1)nn2-c1ccccc1Cl 1865702711 CHTSBKHKKRNBJW-DEOSSOPVSA-N 482.971 6.200 50 10 JKGE CCCc1nn(-c2ccccc2)c2c1[C@H](c1ccc(OC(=O)c3ccccc3)cc1)C(C#N)=C(N)O2 1865705594 ZTXYWZPZZDWUAI-RUZDIDTESA-N 476.536 5.262 50 10 JKGE Cc1nc(-c2ccc(Cl)c(Cl)c2)ccc1C(=O)NNC(=O)Cc1ccc(Br)s1 1865759272 QYNNRHNXDJEQAK-UHFFFAOYSA-N 499.217 5.192 50 10 JKGE Cc1ccc(C)c(-c2csc(/C(C#N)=C(\O)[C@@H](CC(C)C)N3C(=O)c4ccccc4C3=O)n2)c1 1872750154 ZDNBGDYFQYEFSD-KXNAUXDSSA-N 471.582 5.931 50 10 JKGE CCOc1ccc(CC/C(O)=C(\C#N)c2nc(-c3ccc(Oc4ccccc4)cc3)cs2)cc1OC 1872753636 HEYCOLIRIKCPGL-LCUIJRPUSA-N 498.604 7.435 50 10 JKGE COc1cc(OC)c(-c2csc(/C(C#N)=C(\O)CCCOc3ccc(Cl)cc3)n2)cc1Cl 1872756732 XRRJFGMAUYZWAW-JZJYNLBNSA-N 491.396 6.786 50 10 JKGE CCc1cccc(C)c1N1C[C@@H](/C(O)=C(\C#N)c2nc(-c3ccc(OC)c(Cl)c3)cs2)CC1=O 1872757512 JMGIAZHBWFIROA-BVHWPRFASA-N 494.016 6.189 50 10 JKGE CCCOc1c(Br)cc(/C=C(\C#N)c2nc(-c3cccs3)cs2)cc1OC 1872791953 ZGNSEFLVAVEJBN-RIYZIHGNSA-N 461.406 6.496 50 10 JKGE CC[C@H](C)[C@H](/C(O)=C(\C#N)c1nc(-c2ccc(F)c(C)c2)cs1)N1C(=O)c2ccccc2C1=O 1873920431 FLHIKQVVQDFZRW-MRHHGZJWSA-N 475.545 5.761 50 10 JKGE F[C@@H]([C@H](Br)c1cc(Br)ccc1OCc1ccccc1)C(F)(F)F 1899853838 XQHNDOXEZMHEIB-CABCVRRESA-N 456.071 6.365 50 10 JKGE C[C@H]([C@H](Br)c1cc(Br)ccc1OCc1ccccc1)C(F)(F)F 1899854025 ZKIOASJWOKITGJ-BZNIZROVSA-N 452.108 6.663 50 10 JKGE CC(C)[C@@H](CBr)N(Cc1ccccc1)S(=O)(=O)c1ccc(F)cc1Br 1915324275 LWTDMNQFFCMOSE-QGZVFWFLSA-N 493.236 5.199 50 10 JKGE Clc1ccc(C[C@H](Br)c2cc(Br)sc2Br)nc1 1918226717 DYHKECGHEMUIKN-VIFPVBQESA-N 460.416 6.000 50 10 JKGE FC1(F)[C@H]2C[C@@H]([C@@H](Br)c3sc(Br)cc3Br)CC[C@H]21 1922893414 FRECNLQXQUJUJZ-HEZDBXPZSA-N 464.995 6.391 50 10 JKGE Cl[C@H](c1c(Br)sc(Br)c1Br)[C@@H]1CCC[C@@H]2C[C@H]21 1924608203 FIOYWBWVBUAXBI-IBNKKVAHSA-N 463.460 6.752 50 10 JKGE Clc1c(Br)ccc(CBr)c1OCCOCCOCc1ccccc1 2007821701 NZNLVEVZVGSWLM-UHFFFAOYSA-N 478.608 5.610 50 10 JKGE COc1ccc(C)cc1[C@H](Br)c1csc(Br)c1Br 2032958469 FCVVZUXKQDQBMO-NSHDSACASA-N 455.009 6.074 50 10 JKGE Cc1cc(F)c([C@H](Br)c2csc(Br)c2Br)cc1C 2032959158 VPGKRGPYHXBVGJ-NSHDSACASA-N 457.000 6.513 50 10 JKGE FC(F)(F)C1CC([C@@H](Br)c2cc(Br)ccc2Br)C1 2037033663 ZAEICTNPOUXJDZ-UAAUVXIDSA-N 450.918 6.236 50 10 JKGE COc1sc([C@H](Br)c2c(Br)sc(C)c2C)cc1Br 2039501814 BTJBLKIGVSYLTH-JTQLQIEISA-N 475.065 6.444 50 10 JKGE Cl[C@@H](c1c(Br)sc(Br)c1Br)[C@@H]1CC2(CCC2)CO1 2047664264 MHZOZFFAMYKUTN-IMTBSYHQSA-N 479.459 6.275 50 10 JKGE N#CC(=C1C(=O)Nc2ccc([N+](=O)[O-])cc21)c1nc(-c2ccc(Oc3ccccc3)cc2)cs1 2053611327 ISUCRZNLJDVGGL-UHFFFAOYSA-N 466.478 5.897 50 10 JKGE Cn1cnc2sc([C@H](Br)c3cc(Br)sc3Br)cc21 2054805225 KBGKSSJNPDTRTL-SECBINFHSA-N 471.037 5.706 50 10 JKGE NC[C@H](c1ccc(OCc2ccccc2)c(OCc2ccccc2)c1)N1CCSSCC1 2071268674 YBQLDLRLJYHNIB-XMMPIXPASA-N 466.672 5.541 50 10 JKGE Cc1ccc([C@H](Br)c2ccc(Br)cc2Br)cc1Cl 2083336837 FBJKUDJIEUITGH-AWEZNQCLSA-N 453.399 6.658 50 10 JKGE Cc1cc([C@@H](Br)c2ccc(Br)cc2I)ccc1F 2086148812 GKWNSISAWMCMRA-CQSZACIVSA-N 483.944 5.986 50 10 JKGE COC[C@@]1([C@@H](Br)c2cc(Br)c(C)cc2Br)CCCO1 2090694155 WEIZNGVGBOPTBR-UONOGXRCSA-N 457.000 5.152 50 10 JKGE Cc1cc([C@H](Br)c2c(Br)cccc2Br)c(Cl)cc1F 2094091194 QAUAMEQFPYGZGK-AWEZNQCLSA-N 471.389 6.797 50 10 JKGE C[C@H](N(Cc1ccccc1)S(=O)(=O)c1cc(CCl)ccc1Br)C(C)(C)C 2095912855 NHYSYSZKWMEWLJ-HNNXBMFYSA-N 458.849 5.813 50 10 JKGE Fc1c(C[C@H](Br)c2ccccc2Br)ccc(Br)c1Cl 2113444472 MKAWJTIQDHYHLB-LBPRGKRZSA-N 471.389 6.683 50 10 JKGE C[C@@H]1CN(Cc2ccc(Br)cc2Br)CC[C@H]1CCBr 2115845349 XJPXQXJVDJRVNP-VXGBXAGGSA-N 454.044 5.455 50 10 JKGE COc1cc(Br)c(C(=O)N(Cc2ccccc2)[C@H](C)CCBr)cc1OC 2132545930 YJYSAOKEBPECOH-CQSZACIVSA-N 485.216 5.282 50 10 JKGE COCc1cccc([C@H](Br)c2c(Br)sc(Br)c2Cl)c1 2134746572 VOEWLUKVODFIPX-JTQLQIEISA-N 489.454 6.557 50 10 JKGE Cc1cc(Br)c(C)c([C@@H](Br)[C@@H]2CCCC2(F)F)c1Br 2136379552 LNEWGFPTLRQQJN-ZANVPECISA-N 460.982 6.700 50 10 JKGE Cc1cc(Br)c(C)c([C@H](Cl)c2scc(Cl)c2Cl)c1Br 2136384069 LNTFCLUPGGKHBD-LBPRGKRZSA-N 463.449 7.525 50 10 JKGE Cc1c(Br)ccc([C@@H](Cl)c2cc(Br)ccc2Cl)c1Br 2138859219 BCJBDJSKWWVNFS-CQSZACIVSA-N 487.844 7.264 50 10 JKGE FC1(F)CC2(C1)CC(CBr)(Cc1cccc(Br)c1Br)C2 2158838978 DJPSVOGBCSBIJP-UHFFFAOYSA-N 472.993 6.345 50 10 JKGE C[C@@]1(COc2c(Br)cc(CBr)cc2Br)CCCC1(F)F 2167936787 ZWDSMOBVCOFERY-ZDUSSCGKSA-N 476.981 6.311 50 10 JKGE O=C(c1cccc(Br)c1Br)N1C[C@@H](Br)CCC12CCC2 2174534439 FJXVBPGRVUDNGD-JTQLQIEISA-N 466.011 5.134 50 10 JKGE BrC[C@H]1CN(Cc2ccc(Br)cc2Br)CC12CCCC2 2175220607 KQGSSEZZKKMEBT-ZDUSSCGKSA-N 466.055 5.599 50 10 JKGE Cc1nc(-c2ncc(Br)cc2Br)nc(C)c1[C@@H](C)CBr 2187361962 VODWAQZINWWWSO-ZETCQYMHSA-N 463.999 5.179 50 10 JKGE FC1(F)C2(CCC2)C12CC([C@@H](Br)c1cc(Br)sc1Br)C2 2195136106 ONCSRNZOUGLUCN-OILJVLCYSA-N 491.033 6.925 50 10 JKGE Cc1cc(Br)c(C)c([C@H](Br)C(C)(C)[C@@H]2CCCO2)c1Br 2201065887 VAVXOTLGXZHSLW-WFASDCNBSA-N 469.055 6.470 50 10 JKGE COc1c(Br)cc(C)cc1[C@H](Br)c1cc(Br)ccc1F 2203829813 LTFJDBZXNSTPAJ-CQSZACIVSA-N 466.970 6.152 50 10 JKGE Cc1ccc(I)c([C@@H](Br)Cc2ncccc2Br)c1 2224056561 YUVWUVRJRSQGJC-LBPRGKRZSA-N 480.969 5.436 50 10 JKGE Cc1cc(Br)c([C@@H](Br)CC[C@H]2CCCO2)c(C)c1Br 2227348652 ONQVPULQCRUJOE-NEPJUHHUSA-N 455.028 6.224 50 10 JKGE Cc1sc(Br)c([C@@H](Br)Cc2ccc(Br)cc2Cl)c1C 2229147516 LDZUKDTVJQRWSN-NSHDSACASA-N 487.482 7.222 50 10 JKGE FC(F)(F)CCCCO[C@@H](CI)c1ccccc1Br 2230092411 CCNXOZJIZOZSNZ-LBPRGKRZSA-N 451.064 5.674 50 10 JKGE Cc1ccc([C@@H](Br)c2c(F)c(F)cc(F)c2F)cc1I 2232833391 MVKVRDCEIGMRDS-GFCCVEGCSA-N 459.018 5.640 50 10 JKGE Cc1ccc([C@H](Cl)c2cc(Br)c3c(c2)CCO3)cc1I 2232838019 ZXKMEQSJTTXCKT-HNNXBMFYSA-N 463.540 5.625 50 10 JKGE COc1cc(Br)ccc1[C@H](Cl)c1cc(Br)c(Br)cc1F 2233968815 DNNZNUVXVXUWCS-AWEZNQCLSA-N 487.388 6.450 50 10 JKGE Cc1sc([C@H](Cl)c2csc3c(Br)cccc23)c(Br)c1C 2237629269 HECVFMDEPAXJDF-CYBMUJFWSA-N 450.648 7.433 50 10 JKGE C[C@H](CCBr)N(Cc1ccccc1)C(=O)c1cc(F)c(Br)cc1F 2247935095 IWDQTPQAZQQYAU-GFCCVEGCSA-N 461.144 5.543 50 10 JKGE Cl[C@@H](c1cc2sc(Br)cc2s1)c1sccc1I 2252902055 JPGGNNRXEZQYKY-JTQLQIEISA-N 475.623 6.720 50 10 JKGE Cc1cc(Br)sc1[C@@H](Br)c1cc(Br)c(F)cc1Cl 2258103464 LJYVHPJWRBFEMI-NSHDSACASA-N 477.418 6.858 50 10 JKGE C[C@H](Br)CN(C(=O)c1scc(Br)c1Br)C1CCC1 2259748955 GMVVHYQXMNADQK-ZETCQYMHSA-N 460.029 5.051 50 10 JKGE Cc1cc(Br)c(C)c([C@H](Br)[C@@H]2CCC23CCC3)c1Br 2266138071 HYYNIVUAZOBSBH-XHDPSFHLSA-N 451.040 6.845 50 10 JKGE Fc1ccc(C[C@@H](Br)c2ccc(Cl)c(I)c2)c(F)c1 2268324071 XRPCSHUFHJDNTL-LLVKDONJSA-N 457.483 5.902 50 10 JKGE COc1ccc([C@H](Br)c2ccc(Cl)cc2C)cc1I 2269543312 MAHYZKIUPDHTGI-HNNXBMFYSA-N 451.529 5.746 50 10 JKGE FC1CC2(C1)CC(CBr)(Cc1cccc(Br)c1Br)C2 2272243767 WRRPQVOAQTYPMB-UHFFFAOYSA-N 455.003 6.048 50 10 JKGE Cn1nc([C@H](Br)c2c(F)cc(Br)c(F)c2Br)cc1Cl 2272731826 FDXSXTYLEFRPDZ-VIFPVBQESA-N 479.344 5.361 50 10 JKGE Brc1cc(Br)cc(C[C@H](Br)c2cc3c(s2)CCC3)c1 2277959757 BJGXWRJUQBTXPL-ZDUSSCGKSA-N 465.048 6.441 50 10 JKGE COc1ccc([C@@H](Cl)c2nn(C)c(Cl)c2Br)c(Br)c1Cl 2283559039 NINVSHZMCRHIQU-SECBINFHSA-N 463.384 5.589 50 10 JKGE Brc1cocc1[C@H](Br)c1cc2c(cc1Br)OCCCO2 2285990093 RSOSXDSTAWOJTH-CQSZACIVSA-N 466.951 5.450 50 10 JKGE Cc1cccc([C@H](Br)c2c(F)cc(Br)c(F)c2Br)c1F 2288374734 WVBAAPWHSYFIHT-NSHDSACASA-N 472.924 6.422 50 10 JKGE Cc1c([C@@H](Cl)c2c(F)cc(Br)c(F)c2Br)nn(C)c1Br 2288482894 FQKVAMWOEDVVAU-VIFPVBQESA-N 493.371 5.622 50 10 JKGE CC(C)c1ccccc1Oc1coc2cc(OC(=O)C(C#N)=Cc3ccccc3)ccc2c1=O 2293189933 WVKYTPKSMLUFCE-UHFFFAOYSA-N 451.478 6.221 50 10 JKGE N#CC(=Cc1ccc(OCc2ccc(C(=O)O)cc2)c(Cl)c1)C(=O)Nc1ccc(F)cc1 2293328918 APUOATXSGQQGQF-UHFFFAOYSA-N 450.853 5.302 50 10 JKGE CCC(CC)([C@@H](Br)Cc1cc(Br)cc(Br)c1)C(F)(F)F 2295345530 NFIQVPZKSNKXQC-LBPRGKRZSA-N 480.988 6.886 50 10 JKGE CCOC(=O)c1ccc(NC=C(C#N)c2nc(-c3ccc(Br)cc3)cs2)cc1 2296798399 PEKLGWURNKNCNF-UHFFFAOYSA-N 454.349 5.726 50 10 JKGE Cc1cc(-c2ccc(C=C(C#N)C(=O)Nc3ccc(Br)cc3)o2)ccc1Br 2313548687 CDGBIOFLMBUXGV-UHFFFAOYSA-N 486.163 6.326 50 10 JKGE C=CCc1cc(C=C(C#N)C(=O)Nc2cccc(Cl)c2Cl)cc(Br)c1OCC#N 2313570691 DDRGYXAXGDRWPW-UHFFFAOYSA-N 491.172 5.932 50 10 JKGE CCOc1cc(C=C(C#N)C(=O)Nc2cccc(Cl)c2Cl)c(Br)cc1OC 2313571106 NLPBCLCNZUXCOL-UHFFFAOYSA-N 470.150 5.709 50 10 JKGE COc1c(C(=O)NN=C2C(=O)N(CC=Cc3ccccc3)c3ccccc32)ccc2ccccc12 2313648653 ZGBOOZINGVKDDJ-UHFFFAOYSA-N 461.521 5.043 50 10 JKGE CCCOc1cc(Br)c(C=C(C#N)C(=O)Nc2ccc(OCC)cc2)cc1OC 2313738651 MQZBLSIIBGGARI-UHFFFAOYSA-N 459.340 5.191 50 10 JKGE FC1(F)[C@@H]2CC[C@H]([C@H](Br)c3ccc(OCc4ccccc4)cc3Br)[C@@H]21 2314439342 GSPSZTOLPIFURF-OGWHTMIXSA-N 472.167 6.755 50 10 JKGE FC1(F)CCCC[C@H]1[C@H](Br)c1ccc(OCc2ccccc2)cc1Br 2314449717 SCTXKXFVNSSLJE-PKOBYXMFSA-N 474.183 7.290 50 10 JKGE Brc1cc(OCc2ccccc2)ccc1[C@H](Br)C1CC[C@H]2C[C@@H]2CC1 2314454803 JGBZZVCXNYRXRU-NPPFBWRTSA-N 464.241 7.290 50 10 JKGE Cc1nn(C)c([C@H](Cl)c2cc(Br)ccc2OCc2ccccc2)c1Br 2314494305 HVMPKHDPSWAQRY-GOSISDBHSA-N 484.619 6.161 50 10 JKGE FC1([C@H](Br)c2ccc(OCc3ccccc3)cc2Br)CC2(CCC2)C1 2314500415 NEIWOASLLMBPTE-LJQANCHMSA-N 468.204 7.137 50 10 JKGE CCCCOc1cccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)C=Cc4ccc(OC)cc4)ccc32)c1 2314634725 CZJMZDUJTBIJNX-GDLZYMKVSA-N 496.563 5.711 50 10 JKGE CC1(C)C[C@]1(C)[C@@H](Br)c1c(Cl)cc(Br)c(F)c1Br 2315457196 AJSGISHPHFBMQJ-WCQYABFASA-N 463.410 6.876 50 10 JKGE CC(C)(C)OC(=O)N1CCC[C@](CI)(O[C@H]2CCC3(CCCC3)C2)C1 2320509388 YEJUJJAANOSIFH-OXJNMPFZSA-N 463.400 5.321 50 10 JKGE O=C(NN=Cc1cccc(Br)c1)c1ccc2nc(-c3ccccc3Cl)[nH]c2c1 2323743853 CRELCVLKXUWQQO-UHFFFAOYSA-N 453.727 5.410 50 10 JKGE N#CC(=Cc1cccc(Br)c1)C(=O)N1CCC(c2cccc(C(F)(F)F)c2)CC1 2324522094 OADWNWIAEACWAR-UHFFFAOYSA-N 463.297 5.781 50 10 JKGE BrC[C@H]1C[C@@H]2CCC[C@@H]2N1Cc1c(Br)cccc1Br 2329614079 PEMLHYWMVPIFMF-RWSFTLGLSA-N 452.028 5.350 50 10 JKGE BrCc1cc(Br)c(OC[C@H]2CC[C@@H]3C[C@@H]3C2)c(Br)c1 2329778001 DCTLHLOTYMFHTJ-WCQGTBRESA-N 453.012 5.922 50 10 JKGE CC(C)(C)N1C(=O)c2ccc(C(O)=C(C#N)c3nc(-c4ccc(Cl)c(Cl)c4)cs3)cc2C1=O 2331311412 CQLSBWSYWSWLAJ-UHFFFAOYSA-N 498.391 6.461 50 10 JKGE COc1ccc(C=C(C(O)=C(C#N)c2nc(-c3cc(OC)ccc3OC)cs2)c2ccccc2)cc1 2331325183 SZWZSEHMVVRCNI-UHFFFAOYSA-N 496.588 6.869 50 10 JKGE COc1c(C)cc(C)cc1-c1csc(C(C#N)=C(O)CCCN2C(=O)c3ccccc3C2=O)n1 2331371699 FGPXXEXIUGHBIT-UHFFFAOYSA-N 473.554 5.305 50 10 JKGE Cc1ccc(C(C)(C)C)cc1-c1csc(C(C#N)=C(O)c2ccc(-c3ccccc3)cc2)n1 2331394792 YPPGPIBHZCPLTQ-UHFFFAOYSA-N 450.607 8.033 50 10 JKGE CCOc1cc(C=C(C#N)c2nc(-c3ccc(C)cc3C)cs2)ccc1OCc1ccc(C)cc1 2331443475 UAJIVMDJRMKXBU-UHFFFAOYSA-N 480.633 7.777 50 10 JKGE CCCCOc1ccc(C=C(C#N)c2nc(-c3ccc(OCC)cc3OCC)cs2)cc1OCC 2331473681 UGCSMGAULKKMRG-UHFFFAOYSA-N 492.641 7.249 50 10 JKGE Cc1cc(C)c(-c2csc(C(C#N)=Cc3ccc(OC(=O)c4ccccc4)cc3)n2)c(C)c1 2331478365 BSUKGOOZJPCORQ-UHFFFAOYSA-N 450.563 7.019 50 10 JKGE Cc1c(Br)ccc([C@@H](Br)[C@@H]2OC[C@@H]3CCC[C@@H]32)c1Br 2333513136 MOEHHJLWPVCLIV-NBLIUIFLSA-N 453.012 5.771 50 10 JKGE Brc1cc(OCc2ccccc2)ccc1[C@@H](Br)[C@@H]1C[C@H]2COC[C@H](C2)C1 2336082884 FEFUDWBFKDLTOX-FBAVSBLXSA-N 480.240 6.527 50 10 JKGE Fc1c(Br)cc(Cl)c([C@@H](Br)[C@H]2[C@H]3COCC[C@H]32)c1Br 2337086317 KGCVIDJLDZZQMV-JUQFDLSGSA-N 477.393 5.723 50 10 JKGE Brc1ccc(Br)c([C@H](Br)[C@H]2C[C@H]3CCC[C@H]2CC3)c1 2338742465 WIDORPUHPKAMMK-XALPAYFRSA-N 451.040 6.864 50 10 JKGE COc1c(Br)cc(C)c([C@@H](Br)c2ccc(C)o2)c1Br 2339652457 ZPUJFKRXHTWLJG-LBPRGKRZSA-N 452.968 5.914 50 10 JKGE COc1c(Br)cc(C)c([C@H](Br)[C@@H]2[C@H](C)C2(F)F)c1Br 2339656080 KHMYBTOWGUTJBL-JUWDTYFHSA-N 462.954 5.866 50 10 JKGE COc1c(Br)cc(C)c([C@@H](Br)CCCC(F)F)c1Br 2339659789 WOBFOZCMNHEXMC-QMMMGPOBSA-N 464.970 6.400 50 10 JKGE ClCc1c(Cl)cccc1OCc1cc(I)ccc1Br 2341781144 UCUOHFUXGFKDNF-UHFFFAOYSA-N 471.947 6.025 50 10 JKGE FC(F)Oc1ccc([C@H](Cl)c2cc(Br)ccc2OCc2ccccc2)cc1 2361196711 ZUAWICIFXZSZTF-FQEVSTJZSA-N 453.710 6.958 50 10 JKGE COc1cccc([C@@H](Br)c2c(Cl)cc(Br)c(F)c2Br)c1 2362258026 MXHFOVTYLXVENW-GFCCVEGCSA-N 487.388 6.497 50 10 JKGE Cc1cc(Br)c(F)c(Br)c1[C@@H](Br)[C@@H]1CC[C@H]2C[C@@H]1CO2 2365189947 ZURMQUKFYNYGSB-COMAGPEQSA-N 471.002 5.910 50 10 JKGE CCOc1ccc([C@H](Br)c2c(Br)cccc2Br)c(F)c1 2367464223 JGRVDLUJILQRCD-HNNXBMFYSA-N 466.970 6.234 50 10 JKGE COCc1ccc([C@@H](Cl)c2c(Cl)cc(Br)c(F)c2Br)s1 2367822104 ZWDXIIGJGHZVTH-GFCCVEGCSA-N 462.993 6.540 50 10 JKGE Cl[C@@H]1C[C@@H](OCc2ccc(I)c(Br)c2)C12CCCCC2 2377615771 QQTSTKLQPWVDJY-HUUCEWRRSA-N 469.588 5.901 50 10 JKGE Cl[C@H]1C[C@@H](OCc2ccc(I)c(Br)c2)C12CCCCC2 2377615772 QQTSTKLQPWVDJY-LSDHHAIUSA-N 469.588 5.901 50 10 JKGE Clc1ccc(C[C@H](CBr)Cc2cc(I)ccc2Cl)cc1 2380515068 LRGLWKXFOZIAQA-LBPRGKRZSA-N 484.002 6.394 50 10 JKGE CCSc1ccsc1[C@H]1C(C#N)=C(N)N(c2cccc(Cl)c2C)C2=C1C(=O)CCC2 9982190 GRVJERCLLHWDBO-FQEVSTJZSA-N 456.036 6.127 50 10 JKGE Cc1ccc(-c2ccc(/C=C(\C#N)c3nc(-c4cccc5ccccc45)cs3)o2)c([N+](=O)[O-])c1 28356049 GVFFREMBTRMTLQ-XMHGGMMESA-N 463.518 7.504 50 10 JKGE CC(C)(C)OC(=O)N1CC2=C(OC(N)=C(C#N)[C@@H]2c2ccc(F)cc2)/C(=C/c2ccc(F)cc2)C1 33777045 VUJSRXXMQBBATQ-SJQUQUAPSA-N 477.511 5.361 50 10 JKGE C=CCOc1ccc(-c2nn(-c3ccccc3)cc2/C=C(\C#N)c2nc(O)c3ccccc3n2)c(C)c1 34988469 VZECTIYDEGTJHA-HEHNFIMWSA-N 485.547 6.126 50 10 JKGE CCCCOc1ccccc1[C@@H]1C(C#N)=C(N)Oc2cc(OC(=O)c3ccccc3OC)ccc21 38682664 OKBODKXBARHELR-SANMLTNESA-N 470.525 5.311 50 10 JKGE CCCCCOc1cccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4cccc(C)c4)ccc32)c1 38684756 VIQMBHXLDWCFML-HHHXNRCGSA-N 468.553 6.001 50 10 JKGE CCCCOc1cccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4cccc(OCC)c4)ccc32)c1 38685205 KXLUEEPJZTYINF-HHHXNRCGSA-N 484.552 5.702 50 10 JKGE Cc1ccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4oc5cc(C)c(Cl)cc5c4C)ccc32)cc1 38687006 JDSSMIUTPFPNKO-VWLOTQADSA-N 484.939 6.449 50 10 JKGE CSc1ccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4oc5cc(C)ccc5c4C)ccc32)cc1 38700693 SNJCFLFZXNNIPY-VWLOTQADSA-N 482.561 6.209 50 10 JKGE Cc1c(C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@H]3c2ccc(C(C)(C)C)cc2)oc2ccc(F)cc12 40530274 LZEFTIKIBGNFMG-SANMLTNESA-N 496.538 6.615 50 10 JKGE O=C(NNc1ncnc(Nc2cccc3ccccc23)c1[N+](=O)[O-])c1cccc2ccccc12 40627221 GILVHLGJXBYVDN-UHFFFAOYSA-N 450.458 5.192 50 10 JKGE Cc1cccc(NC(=O)c2oc3c(c2C)/C(=N/NC(=O)c2cccc4ccccc24)CCC3)c1C 40813529 PKGSARNGRBVCKB-QFMPWRQOSA-N 465.553 6.081 50 10 JKGE Cc1ccc(Cl)cc1NC(=O)c1oc2c(c1C)/C(=N/NC(=O)c1ccc3ccccc3n1)CCC2 40825805 JMKGVROWLPNXJB-AJBULDERSA-N 486.959 5.821 50 10 JKGE CCCN(CCC)C(=O)[C@@]12CC[C@@](C(Br)Br)([C@@H]1Br)C2(C)C 100961151 BPOOGYUQZALNBW-KNXALSJPSA-N 488.102 5.321 50 10 JKGE Cc1cc(=O)oc2cc(N/C=C(/C#N)c3nc(-c4ccc(Cl)c(Cl)c4)cs3)ccc12 102418210 FTXPOTNQFWUFGF-UVTDQMKNSA-N 454.338 6.508 50 10 JKGE C=CCNC(=O)/C(C#N)=C\c1ccc(OC(=O)/C=C/c2ccc(OCc3ccccc3)cc2)c(OC)c1 103746677 HAPYUPCCYWBXOG-HHNRBCHWSA-N 494.547 5.102 50 10 JKGE Fc1cc([C@@H](Cl)c2cc(Br)sc2Br)ccc1Br 109825080 JLKYAFYXQISNSL-SNVBAGLBSA-N 463.391 6.503 50 10 JKGE COc1cccc(OC)c1[C@H](Br)c1cc(Br)ccc1Br 109844624 SUDWRLYNCABJSR-OAHLLOKOSA-N 464.979 5.713 50 10 JKGE Clc1cc(Br)ccc1COc1ccc(Br)cc1CBr 168180158 WWMAVDIXQPRKJD-UHFFFAOYSA-N 469.398 6.339 50 10 JKGE Cc1ccc(Cl)cc1[C@@H](Br)c1cc(Br)c(Br)s1 213824744 KYTIBSMKYHHUDW-LLVKDONJSA-N 459.428 6.719 50 10 JKGE CCOc1cc(/C=C2\C(=O)N(Cc3ccc(C)cc3)C(=O)C(C#N)=C2C)ccc1OCc1ccccc1 214382239 ZBSXAFJWPZKGAH-QQXSKIMKSA-N 492.575 5.765 50 10 JKGE CCOc1ccc([C@@H](Br)c2cc(Cl)ccc2Br)c(Br)c1 233818780 NUNNMJXCJDYCIM-OAHLLOKOSA-N 483.425 6.748 50 10 JKGE CCc1ccc(CC)c([C@@H](Br)c2cc(Br)sc2Br)c1 234175372 LOLWNRKZYNFQLL-CQSZACIVSA-N 467.064 6.882 50 10 JKGE COc1cc(C)c(Br)cc1[C@@H](Br)c1cccc(C)c1Br 234796832 XETNNOBOWZYXQB-INIZCTEOSA-N 463.007 6.321 50 10 JKGE O=C(Nc1ccccc1CBr)c1cc(Cl)ccc1I 236067703 NXCJXHZXLDAXFP-UHFFFAOYSA-N 450.501 5.092 50 10 JKGE BrCC(CBr)(C[C@@H]1C[C@H]2CC[C@H]1C2)c1cccc(Br)c1 250093050 ZNLDKJHZBVNRIM-IHRRRGAJSA-N 465.067 6.303 50 10 JKGE CC(=NNC(=O)c1csc2ccccc12)c1ccc(NC(=O)COc2ccc(Cl)cc2C)cc1 252589912 AOKPQJLOMQHFPQ-UHFFFAOYSA-N 492.000 6.035 50 10 JKGE CC(=NNC(=O)COc1ccc(C(C)(C)C)cc1)c1ccc(NC(=O)c2ccccc2F)cc1 252595342 BZSJFWUEJRUYCV-UHFFFAOYSA-N 461.537 5.295 50 10 JKGE Cc1ccc(OCC(=O)NN=Cc2c(OCc3ccc(F)cc3)ccc3ccccc23)cc1C 254289379 KORWMRLOBLXCCE-UHFFFAOYSA-N 456.517 5.704 50 10 JKGE COc1cc(C=NNC(=O)c2ccc(COc3ccccc3-c3ccccc3)cc2)cc(OC)c1OC 254352331 SCLZTFPNLDWCPT-UHFFFAOYSA-N 496.563 5.722 50 10 JKGE O=C(CSc1nnc(-c2ccccc2)n1-c1ccccc1)NN=C1CCCCc2ccccc21 254556781 OGOMOPBMDJCJDB-UHFFFAOYSA-N 467.598 5.273 50 10 JKGE CCOc1c(Br)cc(C=NNC(=O)[C@H](C)Sc2nc3ccccc3s2)cc1OC 254702906 IEJVSZSYCXXCHO-LBPRGKRZSA-N 494.436 5.097 50 10 JKGE COc1cc(-c2cc(C(=O)NN=C/C=C\c3ccccc3)[nH]n2)ccc1OCc1ccc(C)cc1 254865492 DOJXZWIXEGGOQF-LOIFASAMSA-N 466.541 5.402 50 10 JKGE Cc1cc([C@@H](Cl)c2scc(C(F)(F)F)c2Br)sc1Br 302645065 URJONJOBHDENQO-MRVPVSSYSA-N 454.558 6.990 50 10 JKGE BrCc1csc2c(I)c(I)ccc12 306946458 MJKMMZDCAZSRKY-UHFFFAOYSA-N 478.918 5.005 50 10 JKGE O=C(OCc1ccccc1)N1C[C@H](c2cccc(Cl)c2)[C@@H](CI)C1 382693042 VAJZPBRCCAKHDX-FUHWJXTLSA-N 455.723 5.127 50 10 JKGE Cc1cc(Br)c([C@H](Br)c2ccc3sccc3c2)cc1Br 386370639 YMQRKCXCOBFIIU-MRXNPFEDSA-N 475.043 7.219 50 10 JKGE Cc1cccc([C@@H](Br)c2ccc(F)c(Cl)c2F)c1I 689653001 QXQDWVXLHLBNJC-NSHDSACASA-N 457.483 6.016 50 10 JKGE Cl[C@H](Cc1ccccc1Br)c1cc(Br)c(Br)s1 709561880 HITGEMIKLYCQKP-SNVBAGLBSA-N 459.428 6.558 50 10 JKGE Cc1ccc([C@@H](Br)c2ccc(Br)c(Cl)c2)c(C)c1Br 719537473 PYSKTYXORIJDOJ-HNNXBMFYSA-N 467.426 6.966 50 10 JKGE C[C@@H]1Cc2cc(Br)cc([C@H](Cl)c3ccccc3I)c2O1 720123285 HMGMUFBNYUDLKI-RFAUZJTJSA-N 463.540 5.705 50 10 JKGE COc1cc(/C=C\C(=O)Cl)cc(I)c1OCc1ccc(Cl)c(Cl)c1 725421129 UJPCDVHOSPTMFQ-HYXAFXHYSA-N 497.543 5.964 50 10 JKGE COc1cc(C=NNC(=O)c2cccc(F)c2)ccc1Oc1ccc(C(F)(F)F)cc1[N+](=O)[O-] 1083922672 DEDTVEOJVDRLPQ-UHFFFAOYSA-N 477.370 5.318 50 10 JKGE CCC[C@H](C)c1ccc(OCC(=O)NN=Cc2cn(-c3ccccc3)nc2-c2ccc(C)cc2)cc1 1084356839 SPSOUIFCPRULLF-QHCPKHFHSA-N 480.612 6.280 50 10 JKGE CC(=NNC(=O)c1ccc(CN2CCC(Cc3ccccc3)CC2)cc1)c1ccc([N+](=O)[O-])cc1 1084636911 OTJAAHSRPKFJKM-UHFFFAOYSA-N 470.573 5.204 50 10 JKGE Cc1c(C(=O)NCc2ccccc2Cl)oc2c1C(=NNC(=O)c1ccc(Cl)cc1)CCC2 1772744089 SIZQYVNISDUFPL-UHFFFAOYSA-N 470.356 5.295 50 10 JKGE Cc1cc(NC(=O)c2oc3c(c2C)C(=NNC(=O)c2ccc(-c4ccccc4)cc2)CCC3)no1 1772747515 PJCMUASTYMNAPX-UHFFFAOYSA-N 468.513 5.274 50 10 JKGE N#CC1=C(N)Oc2c(c(-c3ccccc3)nn2Cc2ccccc2Cl)[C@@H]1c1c(F)cccc1Cl 1865682862 ZBRROCUYGBVXGS-NRFANRHFSA-N 491.353 6.262 50 10 JKGE N#CC1=C(N)Oc2c(c(-c3ccccc3)nn2Cc2ccc(Cl)cc2)[C@@H]1c1cccc(Cl)c1 1865682980 CHOPYMKNLPARGP-JOCHJYFZSA-N 473.363 6.123 50 10 JKGE Cc1nn(Cc2cccc(F)c2)c2c1[C@H](c1ccc(OCc3ccccc3)cc1)C(C#N)=C(N)O2 1865690516 TXIIKOYAXDYCME-AREMUKBSSA-N 466.516 5.176 50 10 JKGE C=CCOc1ccccc1[C@@H]1C(C#N)=C(N)Oc2c1c(-c1ccccc1)nn2-c1cccc2ccccc12 1865690910 DXFSYWZVORVXTI-MUUNZHRXSA-N 496.570 6.475 50 10 JKGE CCOc1cc([C@@H]2C(C#N)=C(N)Oc3c2c(C)nn3-c2ccc(C)cc2)ccc1OCc1ccccc1 1865692989 HCXPSWXWNJEPDL-MUUNZHRXSA-N 492.579 5.685 50 10 JKGE CCOc1ccc([C@H]2C(C#N)=C(N)Oc3c2c(C(F)(F)F)nn3Cc2cccc(Cl)c2)cc1 1865693208 IHGBDKPZTOTDJG-SFHVURJKSA-N 474.870 5.220 50 10 JKGE CCCOc1ccc([C@@H]2C(C#N)=C(N)Oc3c2c(C(F)(F)F)nn3-c2ccc(C)cc2)cc1 1865694383 UJTGXNDDFYEZSA-LJQANCHMSA-N 454.452 5.207 50 10 JKGE CCCc1nn(-c2cccc(Cl)c2)c2c1[C@@H](c1ccc(OCC)c(OC)c1)C(C#N)=C(N)O2 1865695311 NHQVBCPTJYREEJ-QFIPXVFZSA-N 464.953 5.104 50 10 JKGE Cn1nc(-c2ccccc2)c2c1OC(N)=C(C#N)[C@H]2c1ccccc1OCc1ccc(Cl)cc1 1865700890 HBDAKMYDJPTBSM-HSZRJFAPSA-N 468.944 5.538 50 10 JKGE CCN(CC)c1ccc([C@H]2C(C#N)=C(N)Oc3c2c(-c2ccc(OC)cc2)nn3CC(C)C)cc1 1865701924 IIFDDPFKTCXFBI-DEOSSOPVSA-N 471.605 5.279 50 10 JKGE CCCn1nc(C)c2c1OC(N)=C(C#N)[C@@H]2c1ccc(OCc2ccccc2C)c(OCC)c1 1865703389 UZMPBIHQEQKWIT-VWLOTQADSA-N 458.562 5.106 50 10 JKGE N#CC1=C(N)Oc2c(c(C(F)(F)F)nn2-c2ccc(Cl)c(Cl)c2)[C@H]1c1ccccc1C(=O)O 1865704292 RYCWHSQBMVWBSB-HNNXBMFYSA-N 495.244 5.114 50 10 JKGE CCc1nn(Cc2c(F)cccc2Cl)c2c1[C@H](c1ccc(Cl)c([N+](=O)[O-])c1)C(C#N)=C(N)O2 1865706533 YSLNGWIJPPBNNC-LJQANCHMSA-N 488.306 5.066 50 10 JKGE COc1ccc(-c2nn(Cc3ccccc3Cl)c3c2[C@@H](c2cccc(OC)c2)C(C#N)=C(N)O3)cc1 1865712310 VIXIBDVMRWVTDL-DEOSSOPVSA-N 498.970 5.487 50 10 JKGE CCCC[C@@H](NC(=O)[C@@H](c1ccc(Cl)c(Cl)c1)C(C)C)C(=O)Nc1ccc(SC#N)cc1 1866990870 KQBZIOJUAHQCOV-FGZHOGPDSA-N 492.472 6.620 50 10 JKGE CC(C)C[C@H](CC(=O)N[C@H](C(=O)Nc1ccc(SC#N)cc1)c1ccccc1)c1ccc(F)cc1 1867104582 PGCSXODFJQXCBB-AMGIVPHBSA-N 489.616 6.415 50 10 JKGE Cc1ccccc1-c1nc(Nc2ccc(SC#N)cc2)cc(N2C[C@@H](C)Cc3c(C)ccc(C)c32)n1 1868301335 OAKGTZWDDKUNKY-IBGZPJMESA-N 491.664 7.716 50 10 JKGE COc1ccc(/C=C(\C#N)S(=O)(=O)c2ccc(Cl)cc2)cc1OCc1ccc(C)cc1 1872727389 XFJQQUPPNZFIQQ-LPYMAVHISA-N 453.947 5.574 50 10 JKGE N#C/C(=C\c1ccccc1OCc1ccc(Cl)c(Cl)c1)c1cc2c(cc1[N+](=O)[O-])OCCO2 1872728701 OSEBTAJSUYIRNA-LICLKQGHSA-N 483.307 6.316 50 10 JKGE N#C/C(=C(/O)CNC(=O)c1ccc(Cl)cc1Cl)c1nc(-c2ccccc2Cl)cs1 1872746446 IPEJFANDDWUYIX-JXAWBTAJSA-N 464.761 5.993 50 10 JKGE CCOc1ccc(-c2csc(/C(C#N)=C(O)/C=C/c3ccc(OCc4ccccc4)cc3)n2)cc1 1872747903 YNVHKNANUYPRRL-LJWVTKQGSA-N 480.589 7.294 50 10 JKGE COc1ccc(-c2csc(/C(C#N)=C(\O)[C@@H](CC(C)C)N3C(=O)c4ccccc4C3=O)n2)cc1F 1872752720 PISUDNFOMVHJDL-XIBJSWNYSA-N 491.544 5.461 50 10 JKGE COc1cc(/C(O)=C(\C#N)c2nc(-c3cc(C)cc(C)c3OC)cs2)c([N+](=O)[O-])cc1OC 1872754782 IUKVPUDBPWBQNO-PGMHBOJBSA-N 467.503 5.311 50 10 JKGE COc1cc(-c2csc(/C(C#N)=C(\O)CCCOc3ccccc3Cl)n2)c(OC)cc1Cl 1872756706 WLGQFXCBWBXOGI-CYVLTUHYSA-N 491.396 6.786 50 10 JKGE CCN(Cc1ccccc1)c1ccc(/C=C(\C#N)c2nc(-c3ccc(OC)cc3)cs2)cc1 1872784716 XPKIKQBXGGYENM-JJIBRWJFSA-N 451.595 6.909 50 10 JKGE COc1c(C)cc(C)cc1-c1csc(/C(C#N)=C/c2ccc(OCc3ccccc3Cl)cc2)n1 1872792880 VYGXYYUELPBDAC-HYARGMPZSA-N 487.024 7.732 50 10 JKGE C[C@@H](CBr)N(Cc1ccccc1)Cc1ccc(Cl)c(I)c1 1887438142 HYUSNGMNORTKOP-ZDUSSCGKSA-N 478.599 5.730 50 10 JKGE Clc1c(Br)sc(Br)c1[C@H](Br)[C@H]1C[C@@H]1Br 1893054379 MBVMQJKMXZZVKQ-TXQLHFEISA-N 488.264 6.146 50 10 JKGE Brc1cccc(CN2CC[C@]3(CCC[C@H]3Br)C2)c1Br 1918936384 RTTYTTFNHUQFIS-UKRRQHHQSA-N 452.028 5.351 50 10 JKGE CC(C)(C[C@@H](Br)c1sc(Br)cc1Br)C(F)(F)F 1922894776 OFRQWZQQBMYNQT-ZCFIWIBFSA-N 458.963 6.688 50 10 JKGE Cc1oc(Br)cc1[C@H](Cl)c1c(Br)sc(Br)c1Cl 1923041152 ZAVQPQAGYVGEHV-ZETCQYMHSA-N 483.834 6.919 50 10 JKGE CCC1CC([C@H](Cl)c2c(Br)sc(Br)c2Br)C1 1924569560 XDIGROYVOFECIM-BIFUPNIPSA-N 451.449 6.752 50 10 JKGE FC(F)(F)C[C@H](Cl)c1c(Br)sc(Br)c1Br 1924575841 GSPBNZOVFGCSEW-REOHCLBHSA-N 451.327 6.268 50 10 JKGE Fc1cccc(C[C@@H](Br)c2c(Cl)sc(Br)c2Cl)c1F 1925590996 SYMQPMMZTFSWDF-ZCFIWIBFSA-N 450.957 6.774 50 10 JKGE Fc1cccc([C@@H](Cl)c2sc(Cl)cc2Br)c1I 1948825750 KLGWWBSDTFBZFX-SECBINFHSA-N 465.940 6.236 50 10 JKGE CCn1cc(Br)c([C@@H](Br)c2cc(Br)c(Cl)s2)n1 2010563242 NWIWPJDOTYJCRM-QMMMGPOBSA-N 463.420 5.627 50 10 JKGE C[C@H](NCCSSCCNC(=O)OC(C)(C)C)c1ccc(OCc2ccccc2)cc1 2010827139 MPJBDNYHHVTQII-IBGZPJMESA-N 462.681 5.822 50 10 JKGE Cc1nc([C@H](Br)c2c(Br)sc(C)c2C)c(Br)s1 2024016760 BGZSPAPAOKKSSW-MRVPVSSYSA-N 460.054 6.139 50 10 JKGE Brc1cc([C@@H](Br)[C@H]2CC3(CCCC3)CO2)c(Br)s1 2047505513 HJPVEGLDIJCTDF-MWLCHTKSSA-N 459.041 6.058 50 10 JKGE COc1cc(-n2nc(CCl)c(I)c2C(F)(F)F)cc(C(F)(F)F)c1 2079209034 YPZGTVFBTBVWBC-UHFFFAOYSA-N 484.565 5.262 50 10 JKGE Cc1cc(F)c(Cl)cc1[C@H](Br)c1cc(Br)c(Br)s1 2081938741 YOHUQXSIRQRGFU-NSHDSACASA-N 477.418 6.858 50 10 JKGE COc1cc(Br)c(C)cc1[C@H](Cl)c1ccc(I)cc1 2089732134 DTXJNCARQSXZFP-OAHLLOKOSA-N 451.529 5.699 50 10 JKGE Brc1cccc(Br)c1CN1C[C@H]2C[C@H](Br)CC[C@H]2C1 2094088219 IQVYVDMHBHYDFF-QJPTWQEYSA-N 452.028 5.207 50 10 JKGE Cl[C@H](c1cc(C2CC2)c(Br)s1)c1cc(Br)ccc1Br 2094672932 FKJGEFZRKMBVBI-ZDUSSCGKSA-N 485.466 7.241 50 10 JKGE COc1cc(Br)c(C)cc1[C@@H](Br)c1cc(C)sc1Br 2101001864 WLCYVXDCTFKPJA-CYBMUJFWSA-N 469.036 6.383 50 10 JKGE O=C(c1cc(Br)sc1Br)N1[C@H](CBr)C[C@@H]2CCC[C@@H]21 2108395650 AASZXAFGABKJNI-NRPADANISA-N 472.040 5.051 50 10 JKGE BrCc1cc(Br)cc(Br)c1OC[C@@H]1CCC2(CC2)C1 2112616157 QDKSOYMSBWZNST-SNVBAGLBSA-N 453.012 6.066 50 10 JKGE FC1(F)CCN(Cc2cc(Br)ccc2Br)C[C@@H]1CBr 2118519762 NJHWMOYFMDMGLQ-JTQLQIEISA-N 461.970 5.064 50 10 JKGE C[C@@H](c1cc(Br)cs1)N(C)c1ccc(CBr)c(Br)c1 2130023223 UNDXUEMTHGFIKD-VIFPVBQESA-N 468.052 6.365 50 10 JKGE CCc1ccsc1[C@@H](Br)c1c(C)c(Br)cc(C)c1Br 2136379976 PYVOGGIPFRBNMD-AWEZNQCLSA-N 467.064 6.937 50 10 JKGE Cc1c(Br)ccc([C@H](Br)c2cscc2C(F)F)c1Br 2138862631 KBFYGXDTEMFNQC-LBPRGKRZSA-N 474.990 7.003 50 10 JKGE O=C(OCc1ccccc1)N1CC2(CC=CCN2CCCCCCCCCBr)C1 2142785725 BROMXGXKUALPRR-UHFFFAOYSA-N 463.460 5.765 50 10 JKGE CC1(CO[C@](C)(CI)c2ccccc2Br)CCCCC1 2150875653 FQCCMINKCFUIPQ-QGZVFWFLSA-N 451.186 6.086 50 10 JKGE Cc1cc(Br)c([C@@H](Br)c2cccc(C(F)F)c2)cc1Br 2172592962 DCCRTFZUNCIBCD-AWEZNQCLSA-N 468.961 6.942 50 10 JKGE CN(C1CC(OCc2ccccc2)C1)S(=O)(=O)c1cc(Cl)cc(CBr)c1Cl 2179858139 KOYSSSVJJWONHR-UHFFFAOYSA-N 493.250 5.257 50 10 JKGE Cc1cc(Br)c(C)c([C@@H](Br)C[C@@H]2CCCOCC2)c1Br 2201066240 YBLCNJLQAHNCKR-OCCSQVGLSA-N 469.055 6.471 50 10 JKGE Cc1cc(Br)c(C)c([C@H](Br)CC2CC3(CCC3)C2)c1Br 2201070011 YHRAYIDIQRBKNG-CQSZACIVSA-N 465.067 7.235 50 10 JKGE COc1c(C)cc(Br)cc1[C@H](Br)c1cc(Cl)cc(Br)c1 2206566945 JWDZXBULSQCWRT-CQSZACIVSA-N 483.425 6.666 50 10 JKGE BrC[C@H](C1CC1)N(Cc1ccccc1)C[C@H]1CC1(Br)Br 2209114461 VRRIUYOHAJQMJQ-HUUCEWRRSA-N 466.055 5.168 50 10 JKGE CC(C)(CBr)N(Cc1ccccc1)c1ncc(C(F)(F)F)cc1Br 2217410674 JNPYTWFZHQAGFT-UHFFFAOYSA-N 466.139 6.043 50 10 JKGE ClCc1nc2cc(Br)ccc2n1C[C@@H]1CC1(Br)Br 2217992747 ROEVJGUIYRSXEP-ZETCQYMHSA-N 457.391 5.044 50 10 JKGE COc1ccc([C@@H](Br)c2scc(Br)c2C)cc1Br 2219005551 FCCXDOOZBSNAGE-GFCCVEGCSA-N 455.009 6.074 50 10 JKGE FC1(F)CCC[C@H]1[C@@H](Br)c1c(Br)cc(Cl)c(Cl)c1Cl 2224302409 LIZCBGPWACPTGZ-SSDLBLMSSA-N 457.367 7.281 50 10 JKGE Fc1cc(Br)c(Br)cc1[C@H](Br)[C@@H]1[C@H]2CCC(F)(F)[C@@H]21 2225617883 SDANYNMSGLCOFI-MPRIFTANSA-N 462.929 6.078 50 10 JKGE Fc1cc(Br)c(Br)cc1[C@H](Br)[C@@H]1OC[C@H]2CCC[C@@H]21 2225620317 TUEKKZLVCMNVMI-TUTWKPOWSA-N 456.975 5.602 50 10 JKGE Fc1cc(Br)c(Br)cc1[C@H](Cl)c1ccc(Cl)cc1Br 2225635036 SLHJZBAMTNUQDT-CYBMUJFWSA-N 491.807 7.095 50 10 JKGE Cc1cc([C@@H](Br)c2c(Br)cc(C)c(Br)c2C)sc1Cl 2227350410 HMLOZIFACDATII-CYBMUJFWSA-N 487.482 7.336 50 10 JKGE Cc1cc(Br)c([C@H](Br)[C@H]2CC3(CC3)CO2)c(C)c1Br 2227351861 OBTFXRJIUSKTQK-BXUZGUMPSA-N 453.012 5.834 50 10 JKGE Cc1ccc(I)c([C@@H](Cl)c2cc(Br)c(Cl)cc2F)c1 2232222548 LXEDXDVXVDHOIC-AWEZNQCLSA-N 473.938 6.483 50 10 JKGE CC1(C)OCCC[C@@H]1[C@H](Br)c1c(Br)cc(Cl)c(Cl)c1Cl 2232510392 MRLOKIYTJCMLLV-HQJQHLMTSA-N 465.440 7.051 50 10 JKGE Brc1cccc(Br)c1CN1CC[C@@H]2[C@@H](Br)CCC[C@H]2C1 2233851417 AIUHAQGXKLXQKN-OBJOEFQTSA-N 466.055 5.597 50 10 JKGE CO[C@H]1C[C@@H]([C@@H](Br)c2cc(Br)c(Br)cc2F)C[C@H]1OC 2233975963 MOSMDPZSEVTBGN-DUDQEUOJSA-N 474.990 5.227 50 10 JKGE O=C(c1csc(Br)c1Br)N1[C@H](CBr)C[C@@H]2CCCC[C@H]21 2240729250 SPALBWUWLQOOQK-ATZCPNFKSA-N 486.067 5.441 50 10 JKGE CCc1nn(C)c([C@@H](Br)c2cc(Br)c(C)cc2Br)c1Cl 2240931653 ZQQCEIAORJIJJY-LBPRGKRZSA-N 485.445 5.954 50 10 JKGE Cc1sc([C@H](Br)c2nn(C)c(Cl)c2Br)c(Br)c1C 2253494987 HAQZJPMIOBXMTE-SSDOTTSWSA-N 477.447 5.761 50 10 JKGE COc1ccc([C@H](Cl)c2cc(Br)c(Cl)s2)cc1I 2257365534 SCUFHAZOKDWQRO-NSHDSACASA-N 477.976 6.105 50 10 JKGE Cc1sc(Br)cc1[C@@H](Cl)Cc1cc(Br)cc(Br)c1 2263450574 NJALIZPEKRDAKV-LBPRGKRZSA-N 473.455 6.867 50 10 JKGE Cc1cccc(Oc2ccc(Br)cc2CBr)c1I 2263452024 FGNSHFFXZNVBAQ-UHFFFAOYSA-N 481.953 6.049 50 10 JKGE Clc1c(Br)csc1[C@@H](Cl)Cc1cc(Br)cc(Br)c1 2263515564 PXSPETAEZUJDJC-JTQLQIEISA-N 493.873 7.212 50 10 JKGE Clc1ccc(Cl)c([C@@H](Br)Cc2cc(Br)cc(Br)c2)c1 2277896794 NAELIYOPRFOQBK-ZDUSSCGKSA-N 487.844 7.197 50 10 JKGE Fc1cc(Br)ccc1[C@@H](Cl)c1c(F)cc(Br)c(F)c1Br 2288353857 KUSFPDBAUDLUHE-GFCCVEGCSA-N 493.342 6.720 50 10 JKGE COc1cc(C=C(C#N)c2nc3ccccc3s2)cc(Cl)c1OS(=O)(=O)c1ccccc1 2294602805 AIJRACGTFZZTHW-UHFFFAOYSA-N 482.970 5.790 50 10 JKGE N#CC(=Cc1ccc(-c2cc([N+](=O)[O-])ccc2Cl)o1)c1nnc(NC(=O)c2ccccc2)s1 2295172626 MXIAKQKWLZIZEQ-UHFFFAOYSA-N 477.889 5.676 50 10 JKGE FC(F)(F)[C@@H]1CCO[C@H]1[C@@H](Br)c1cc2sc(Br)cc2s1 2295414508 PGWMSAOYTXHCCX-KLDFYJGESA-N 450.139 6.129 50 10 JKGE COc1c(Br)cc([C@@H](Br)c2occc2Br)c(OC)c1C 2295428346 ONMIDPTWPPKVJZ-LLVKDONJSA-N 468.967 5.615 50 10 JKGE N#CC(=CNc1ccccc1C(F)(F)F)c1nc(-c2ccc(Br)cc2)cs1 2296800768 VAVUDKNAHUSJMM-UHFFFAOYSA-N 450.283 6.568 50 10 JKGE N#CC(=Cc1ccc(-c2cccc([N+](=O)[O-])c2)o1)c1nc(-c2cc3ccccc3oc2=O)cs1 2297369382 HFBOAFFWGWYRHH-UHFFFAOYSA-N 467.462 6.149 50 10 JKGE FC1(F)CC[C@H]1C[C@H](Br)c1cc(Br)ccc1OCc1ccccc1 2299530532 MVWDEGXMPHJXJM-YOEHRIQHSA-N 460.156 6.900 50 10 JKGE Cc1cc([C@H](Cl)c2cc(Br)ccc2OCc2ccccc2)sc1Br 2299533723 WBEAVQCMDRVFOB-GOSISDBHSA-N 486.656 7.489 50 10 JKGE CCc1occc1[C@@H](Br)c1cc(Br)ccc1OCc1ccccc1 2299534588 FKTMJZISRNVSEU-HXUWFJFHSA-N 450.170 6.668 50 10 JKGE CN(CCCCCBr)Cc1ccc(I)c(Br)c1 2306220214 VJZFYFAXGXLVEN-UHFFFAOYSA-N 475.006 5.051 50 10 JKGE BrC[C@@]1(Cc2ccc(I)c(Br)c2)C=CCCC1 2306228687 TVONUKGJZJLBTD-AWEZNQCLSA-N 469.986 5.718 50 10 JKGE COc1cc(C=C(C#N)C(=O)Nc2cc(Cl)ccc2Cl)cc(Br)c1OC(C)=O 2313631578 SBXAOTIQFNPODE-UHFFFAOYSA-N 484.133 5.235 50 10 JKGE Brc1ccc(OCc2ccccc2)c([C@H](Br)C2C[C@@H]3CC[C@H](C2)O3)c1 2314439448 HRCODKDMSXIQGB-UOLNFUGQSA-N 466.213 6.422 50 10 JKGE FC1(F)[C@@H]([C@@H](Br)c2cc(Br)ccc2OCc2ccccc2)C12CCC2 2314456207 VFIXEKCYIDYJFJ-ROUUACIJSA-N 472.167 6.900 50 10 JKGE C[C@@H]1OC2(C)CC1([C@H](Br)c1cc(Br)ccc1OCc1ccccc1)C2 2314501065 TYYSCWYOHBFANX-SDMIETSPSA-N 466.213 6.422 50 10 JKGE Cc1c(Br)sc([C@@H](Br)[C@]23C[C@H](C[C@@H](C)O2)C3)c1Br 2319799800 ZTXHTJUCTNVAIS-AJNLAUMFSA-N 459.041 5.975 50 10 JKGE N#CC(=Cc1cccc(OC(=O)C=Cc2ccc(OCc3ccccc3)cc2)c1)c1ccccc1 2320506582 MQFAZPRMPIVFPE-UHFFFAOYSA-N 457.529 6.949 50 10 JKGE COc1ccc(C(C#N)=Cc2ccc(OC(=O)c3cc(OC)c(OC)c(OC)c3)c(OC)c2)cc1 2320506621 NMWKKBCASHYWMI-UHFFFAOYSA-N 475.497 5.013 50 10 JKGE Clc1cc(Br)c(COc2ccc(Br)cc2CBr)s1 2322462694 JSKOAZYWWJHGSW-UHFFFAOYSA-N 475.427 6.400 50 10 JKGE CCCOc1c(Cl)cc(C=NNC(=O)c2ccc3[nH]c4c(c3c2)C[C@@H](C)CC4)cc1Cl 2323168518 DQWHADNFXIFCKD-AWEZNQCLSA-N 458.389 6.152 50 10 JKGE COc1ccc(C=C2Oc3cc(OCc4cccc(CCl)c4)cc(C)c3C2=O)c(OC)c1 2325361101 GRFQBJJDAIQWBP-UHFFFAOYSA-N 450.918 5.946 50 10 JKGE CCCOc1ccc(-c2csc(C(C#N)=C(O)C=Cc3ccc(C)cc3)n2)cc1OCCC 2331293365 BCSQMPFFGZALEE-UHFFFAOYSA-N 460.599 7.202 50 10 JKGE CC(C)c1ccc(-c2csc(C(C#N)=C(O)CCCOc3ccc(Cl)cc3Cl)n2)cc1 2331341625 KRZUDQMQWVIFCT-UHFFFAOYSA-N 473.425 7.892 50 10 JKGE COc1cc(OC)c(-c2csc(C(C#N)=C(O)COc3cc(C)c(Cl)c(C)c3)n2)cc1Cl 2331378723 VDNGISRRMAGKNU-UHFFFAOYSA-N 491.396 6.623 50 10 JKGE COCCCN1C(=O)c2ccc(C(O)=C(C#N)c3nc(-c4ccc(C)c(C)c4)cs3)cc2C1=O 2331382643 RHQGZIMDBGBNJA-UHFFFAOYSA-N 473.554 5.009 50 10 JKGE Cc1ccc(-c2csc(C(C#N)=C(O)c3ccc4c(c3)C(=O)N(Cc3ccco3)C4=O)n2)cc1C 2331385154 GSYHRZSCCRZZNQ-UHFFFAOYSA-N 481.533 5.766 50 10 JKGE COc1ccc(-c2csc(C(C#N)=C(O)c3cccc(Oc4ccccc4)c3)n2)c(OC)c1 2331386708 DHGJQPPIJUWIDC-UHFFFAOYSA-N 456.523 6.569 50 10 JKGE C[C@H](Oc1ccc(Cl)cc1Cl)C(O)=C(C#N)c1nc(-c2cc(Cl)ccc2Cl)cs1 2331405298 DOUXINKXHQFOLD-JTQLQIEISA-N 486.207 7.684 50 10 JKGE CCOc1cc(C=C(C#N)c2nc(-c3cc(OC)ccc3OC)cs2)ccc1OCc1ccccc1 2331450488 PDOWTDJKWYQAPA-UHFFFAOYSA-N 498.604 6.869 50 10 JKGE N#CC(=Cc1cc(Br)cc(Br)c1O)c1nc(-c2ccc(F)c(F)c2)cs1 2331463978 LHSQASSOHHCAJR-UHFFFAOYSA-N 498.146 6.383 50 10 JKGE Cn1cc([C@H](Cl)c2c(Cl)cc(Br)c(F)c2Br)c(Br)n1 2337087736 CFTRXLDPDMPBDX-VIFPVBQESA-N 495.799 5.828 50 10 JKGE COc1c(Br)cc(C)c([C@H](Br)[C@H]2CCC2(C)C)c1Br 2339657690 AJZWVNIKMZXYGA-BXKDBHETSA-N 455.028 6.401 50 10 JKGE Cc1cc(Br)c(F)c(Br)c1[C@H](Br)[C@H]1CCCOCC1 2339680907 BWPWHGJJZNULEW-JOYOIKCWSA-N 458.991 5.912 50 10 JKGE Cc1cc(Br)c(F)c(Br)c1[C@@H](Br)[C@]1(C)CCCOC1 2339685309 SCSHGSCTWLVAHF-ZIAGYGMSSA-N 458.991 5.912 50 10 JKGE COc1ccc(F)cc1[C@@H](Br)c1ccc(Cl)cc1I 2340060899 ICCIBFBJCPTUTN-AWEZNQCLSA-N 455.492 5.577 50 10 JKGE CC(C)(C)[C@H]1[C@H](Br)CCN1Cc1ccc(Cl)cc1I 2341008969 GBHXDUXCBHWVMW-TZMCWYRMSA-N 456.593 5.329 50 10 JKGE CC1=C(C)C[C@@](CBr)(Cc2c(Br)cccc2Br)CC1 2343302561 NSYBLKBOHDUZPX-MRXNPFEDSA-N 451.040 6.656 50 10 JKGE FC1(F)CCC(CBr)(Cc2cc(I)ccc2Cl)CC1 2352423881 MBVHMWSPPKYWBC-UHFFFAOYSA-N 463.531 6.078 50 10 JKGE Fc1c(Br)cc(Cl)c([C@@H](Br)C[C@@H]2CCC[C@@H]3C[C@H]23)c1Br 2362239656 MMKMFIUGSWUGFG-KATARQTJSA-N 489.448 7.266 50 10 JKGE CC(C)(C)OC(=O)NCC[C@H]1CCN(CC2(CBr)CCC2)[C@H](C(F)(F)F)C1 2362812517 BTMSFXJAKQYELA-GJZGRUSLSA-N 457.375 5.109 50 10 JKGE Fc1ccc(C(F)F)c([C@H](Br)c2cc(Br)ccc2Br)c1 2363672195 AJTIILNNZFNKNU-ZDUSSCGKSA-N 472.924 6.773 50 10 JKGE Fc1cc(Br)c(Br)cc1[C@H](Br)[C@H]1C[C@H]2CCC[C@H]1CC2 2364091768 HMJNACGMURCLJI-ZGNZKYAMSA-N 469.030 7.003 50 10 JKGE Cc1cc(Br)c(F)c(Br)c1[C@@H](Br)C1CCCCCCC1 2365179241 NMFCJCNCKNPFCC-AWEZNQCLSA-N 471.046 7.456 50 10 JKGE Clc1ccc(I)cc1CO[C@H]1C[C@@H](Br)C12CCCCC2 2380342160 CIJCUYDFDWCTRQ-CABCVRRESA-N 469.588 5.948 50 10 JKGE CCc1cc(Br)c(OC)c([C@@H](Br)c2sc(C)cc2Br)c1 2381257669 HMVZGIUXXYHTAF-CYBMUJFWSA-N 483.063 6.637 50 10 JKGE N#C/C(=C/c1ccc(-c2ccc(Cl)c(Cl)c2)o1)C(=O)Nc1cc(C(F)(F)F)ccc1Cl 2671159 WBBLFHQQHBECQL-GHXNOFRVSA-N 485.676 7.471 50 10 JKGE COc1ccc(/C=C(\C#N)c2nc(-c3ccc(-c4ccc(Cl)cc4Cl)o3)cs2)cc1 34721146 ISPXDGRAHAWPPQ-XNTDXEJSSA-N 453.350 7.450 50 10 JKGE CCNC(=O)/C(C#N)=C\c1cn(-c2ccccc2)nc1-c1cccc(OCc2ccc(Cl)cc2)c1 35446097 FEJAZUCHKQIYCR-JCMHNJIXSA-N 482.971 5.815 50 10 JKGE CC1=C(C#N)C(=O)N(Cc2ccco2)C(=O)/C1=C/c1cn(-c2ccccc2)nc1-c1ccc(C)cc1 38606825 KPNFUGPTQDILEH-MFKUBSTISA-N 474.520 5.233 50 10 JKGE CC(C)CCOc1cccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4ccccc4)ccc32)c1 38684620 IIMAILUUUABAMJ-SANMLTNESA-N 454.526 5.549 50 10 JKGE Cc1ccc2oc(C(=O)Oc3ccc4c(c3)OC(N)=C(C#N)[C@@H]4c3ccccc3F)c(C)c2c1 38688011 GGINGUGILYKKSY-XMMPIXPASA-N 454.457 5.626 50 10 JKGE CSc1ccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4oc5ccccc5c4C)ccc32)cc1 38700687 XDPMFXIJMNCAFV-XMMPIXPASA-N 468.534 5.901 50 10 JKGE CCc1ccc(Oc2nc3ccccn3c(=O)c2/C=C(/C#N)C(=O)Nc2cc(C)ccc2C)cc1 39858645 CNFJUACLRCIKJV-PGMHBOJBSA-N 464.525 5.212 50 10 JKGE Cc1c(C(=O)Nc2cccc3ccccc23)oc2c1/C(=N/NC(=O)Cc1ccc([N+](=O)[O-])cc1)CCC2 40814597 RINVVTRLODNXFP-JJKYIXSRSA-N 496.523 5.301 50 10 JKGE Cc1ccc(OCC(=O)N/N=C2/C(=O)N(Cc3cccc4ccccc34)c3ccccc32)cc1Cl 59152992 APAOGEZVLUMONT-TVKQRKNISA-N 483.955 5.248 50 10 JKGE CCOc1cc(/C=N/NC(=O)c2cc3ccccc3o2)cc(Cl)c1OCc1ccc(C)cc1 59305323 UDRFHALZOXOVQB-RWPZCVJISA-N 462.933 6.136 50 10 JKGE O=c1[nH]c2cc(Br)c([C@H](Br)Cc3cccc(Br)c3)cc2[nH]1 109884232 VAMJJNHUFDSLCB-LLVKDONJSA-N 474.978 5.060 50 10 JKGE Cc1ccccc1CC(CBr)(CBr)c1ccccc1Br 118879017 QCZWVJULJKQXEF-UHFFFAOYSA-N 461.035 6.028 50 10 JKGE O=C1CCc2cc([C@@H](Cl)c3cc(Br)c(Br)s3)c(F)cc2N1 128545846 DYCCRDNTQGDJFR-CYBMUJFWSA-N 453.558 5.625 50 10 JKGE FC(F)(F)SCCC(CBr)(CBr)c1ccccc1Br 131020328 QTXZRFMLDPDIOB-UHFFFAOYSA-N 485.001 6.120 50 10 JKGE CC1(C)Cc2cc([C@@H](Br)c3cc(Br)ccc3Br)ccc2O1 161099783 CRBLUNDABFYAGP-MRXNPFEDSA-N 475.018 6.409 50 10 JKGE Brc1ccc([C@@H](Br)c2csc3c(Br)cccc23)s1 163391654 AFFSJFSZXBJGAQ-LBPRGKRZSA-N 467.045 6.972 50 10 JKGE COc1cc(/C=C(/C#N)C(=O)NCc2ccccc2)ccc1OC(=O)COc1ccccc1C(C)(C)C 206398831 AGDPFKYIFVNYHN-KQWNVCNZSA-N 498.579 5.200 50 10 JKGE CC1=C(C#N)C(=O)N(Cc2ccccc2)C(=O)/C1=C\c1cn(-c2ccccc2)nc1-c1ccc(C)cc1 214276717 PSQUYOJOPDGFDY-PKAZHMFMSA-N 484.559 5.640 50 10 JKGE COc1cc(Cl)cc(CBr)c1OCc1ccc(I)cc1 229101208 YZMMHRHHJPSUNW-UHFFFAOYSA-N 467.528 5.427 50 10 JKGE COc1cc(F)c(Br)cc1[C@H](Br)c1ccc(Br)s1 234913823 CJOZJYMMRUVCFN-LBPRGKRZSA-N 458.972 5.905 50 10 JKGE COc1ccc([C@H](Br)c2cc(Br)cc(Br)c2)cc1OC 234991853 NFEZYIITRMFVJV-HNNXBMFYSA-N 464.979 5.713 50 10 JKGE Cc1cc([C@@H](Br)c2ccc(F)cc2I)sc1Br 235866350 GMYJMHORESTSKE-NSHDSACASA-N 489.973 6.047 50 10 JKGE Clc1ccc(I)c([C@H](Br)c2csc3ccccc23)c1 236084331 ZZZVCBKEOJREIT-HNNXBMFYSA-N 463.565 6.644 50 10 JKGE COc1cc(C=NNC(=O)CSc2nc3ccccc3s2)cc(Br)c1OC(C)C 254522662 MWOGOSNNKDIPHR-UHFFFAOYSA-N 494.436 5.097 50 10 JKGE CC(=NNC(=O)[C@H]1C[C@@H]1c1ccc(C(C)(C)C)cc1)c1cccc(NC(=O)c2cccc(F)c2)c1 254759645 WQTXVJPUASVZAC-FTJBHMTQSA-N 471.576 6.019 50 10 JKGE Cl[C@@H](c1ccccc1I)c1cc(I)cc2c1OCC2 302500622 LENUQYIKSIETTN-AWEZNQCLSA-N 496.513 5.159 50 10 JKGE Cc1ccc([C@H]2CN(Cc3ccccc3)C[C@H]2CI)cc1Br 382720180 MVZVASCJSYSTCW-QZTJIDSGSA-N 470.192 5.408 50 10 JKGE FC1(F)CC[C@@H](COc2c(Br)cc(Br)cc2CBr)C1 394053173 RTZXJIJWKPDXFE-MRVPVSSYSA-N 462.954 5.921 50 10 JKGE C[C@@H]1CC[C@@H](C(C)(C)Cc2cc(Cl)ccc2I)[C@@H](Br)C1 405238266 ZVUKWZKOWMXRMS-DFBGVHRSSA-N 469.632 6.713 50 10 JKGE CN(C(=O)OC(C)(C)C)c1cccc([C@@H]2CCOCCN2CCO[Si](C)(C)C(C)(C)C)c1 616598622 RQADPCMDJSGLSC-QFIPXVFZSA-N 464.723 5.843 50 10 JKGE O=C(NCCc1cccc(F)c1)[C@H](c1cccs1)N(C(=O)CCl)c1cccc(C(F)(F)F)c1 725237741 MXESQAZOMLPTRY-NRFANRHFSA-N 498.929 5.578 50 10 JKGE C[C@H](Sc1ccc(Cl)cc1)C(=O)NN=Cc1ccc(OCc2ccc([N+](=O)[O-])cc2)cc1 1083890387 BYYPURLXRBANSS-INIZCTEOSA-N 469.950 5.458 50 10 JKGE O=C(CSCc1ccccc1Cl)NN=C1C(=O)N(C/C=C\c2ccccc2)c2ccccc21 1083999108 OHTSAJDDAKFRPV-CILWJIEKSA-N 476.001 5.154 50 10 JKGE CCOc1cc(/C=C(/C#N)C(=O)Nc2cccc([N+](=O)[O-])c2)ccc1OCc1cccc(C)c1 1084113260 KHQYDONRSLBSCR-BKUYFWCQSA-N 457.486 5.427 50 10 JKGE CCc1ccccc1NC(=O)/C(C#N)=C\c1cc(Br)ccc1OCc1ccccc1F 1084341030 BEWISYZVNJOHTF-MOSHPQCFSA-N 479.349 6.275 50 10 JKGE CCCCOc1ccc(C=NNC(=O)c2ccccc2NC(=O)c2ccc([N+](=O)[O-])cc2Cl)cc1 1084355603 BCUAZCMHJAFEMB-UHFFFAOYSA-N 494.935 5.443 50 10 JKGE CCOc1cc(C=NNC(=O)c2cc3cc(Br)ccc3o2)c(Cl)cc1OC 1084398673 NVNZHTBNYZTSFW-UHFFFAOYSA-N 451.704 5.020 50 10 JKGE O=C(NN=Cc1ccccc1OCc1ccc([N+](=O)[O-])cc1)c1cc2cc(Br)ccc2o1 1084570601 ZGNNUQFGLVHLHV-UHFFFAOYSA-N 494.301 5.446 50 10 JKGE CN(C(=O)OC(C)(C)C)[C@H]1Cc2cc(F)ccc2C1=NNC(=O)Nc1ccc(OC(F)(F)F)cc1 1088698495 GLLCKOFEKHDNOS-SFHVURJKSA-N 496.461 5.042 50 10 JKGE CCOc1cc(C=NNC(=O)CSc2nc3ccccc3[nH]2)ccc1OCc1ccc(C)cc1 1772760429 LPLZUQDYIHURGN-UHFFFAOYSA-N 474.586 5.091 50 10 JKGE N#CC1=C(N)Oc2c(c(-c3ccccc3)nn2Cc2c(F)cccc2Cl)[C@H]1c1ccccc1 1865680679 RTTJCTWYJHCOMC-QFIPXVFZSA-N 456.908 5.609 50 10 JKGE Cc1nn(Cc2c(F)cccc2Cl)c2c1[C@@H](c1cccc(Br)c1)C(C#N)=C(N)O2 1865684234 NYQBQLMAZIGSDH-IBGZPJMESA-N 473.733 5.013 50 10 JKGE COc1ccc(-c2nn(-c3cccc4ccccc34)c3c2[C@@H](c2ccc(O)cc2)C(C#N)=C(N)O3)cc1 1865684589 SMRZUDSSNQGSAO-SANMLTNESA-N 486.531 5.625 50 10 JKGE Cc1nn(Cc2ccccc2F)c2c1[C@@H](c1ccc(OCc3ccccc3)cc1)C(C#N)=C(N)O2 1865689479 AIOLUYLWMBCQRU-SANMLTNESA-N 466.516 5.176 50 10 JKGE CCN(CC)c1ccc([C@H]2C(C#N)=C(N)Oc3c2c(C)nn3Cc2c(F)cccc2Cl)cc1 1865701975 JOIQFAKORQRUEV-QHCPKHFHSA-N 465.960 5.097 50 10 JKGE Cc1ccccc1COc1ccc([C@H]2C(C#N)=C(N)Oc3c2c(C(F)(F)F)nn3CC(C)C)cc1 1865703066 MDWWBIQHVZBQQB-NRFANRHFSA-N 482.506 5.664 50 10 JKGE Cc1cccc([C@H]2C(C#N)=C(N)Oc3c2c(-c2ccccc2)nn3Cc2c(F)cccc2Cl)c1 1865710777 IDZARUWDGUGVCS-QHCPKHFHSA-N 470.935 5.918 50 10 JKGE CC(C)(C)[C@H]1CCc2c(sc(NC(=O)/C(C#N)=C/c3ccc(Br)cc3)c2C(N)=O)C1 1866129228 IYQXDXHZLNMRCP-IPJDOKCGSA-N 486.435 5.306 50 10 JKGE CCOC(=O)c1c(NC(=O)/C(C#N)=C/c2cccc(F)c2)sc(C(=O)OCc2ccccc2)c1C 1866131000 CJRGCHCCYLNIRN-XDHOZWIPSA-N 492.528 5.275 50 10 JKGE CCC[C@@H](NC(=O)C[C@@H](c1ccc(F)c(C)c1)C(C)C)C(=O)Nc1ccc(SC#N)cc1 1866766666 OEPNHFOUSPZTJI-FYYLOGMGSA-N 455.599 5.761 50 10 JKGE CCCCc1ccc(N2C[C@H](/C(O)=C(\C#N)c3nc(-c4c[nH]c5ccccc45)cs3)CC2=O)cc1 1872753160 JXFHZMIMYOFVRD-GBWXISRYSA-N 482.609 6.480 50 10 JKGE COc1c(C)cc(C)cc1-c1csc(/C(C#N)=C(\O)[C@H](C)Oc2ccc(Cl)cc2Cl)n1 1872754908 OVQNFKHOVDRGIF-NNLSSIJJSA-N 475.397 7.003 50 10 JKGE CCCCCOc1ccc(/C=C(\C#N)c2nc(-c3ccc4ccccc4c3)cs2)cc1OCC 1872782278 ACYDWFMGYLSHAY-PCLIKHOPSA-N 468.622 7.995 50 10 JKGE CCOc1cc(/C=C(\C#N)c2nc(-c3ccc(C(C)C)cc3)cs2)ccc1OCc1ccccc1 1872791197 BBMFHRLCBZNMNS-WGOQTCKBSA-N 480.633 7.975 50 10 JKGE CCCCCCCOc1ccc(-c2csc(/C(C#N)=C/c3cccc(OC)c3OCCC)n2)cc1 1872791444 JKNVBQKHGUIHDV-LYBHJNIJSA-N 490.669 8.021 50 10 JKGE CC[C@H](C)N1C(=O)c2ccc(/C(O)=C(\C#N)c3nc(-c4cccc([N+](=O)[O-])c4)cs3)cc2C1=O 1873941034 STMPHZKBJCLTCI-OMEIHDDLSA-N 474.498 5.063 50 10 JKGE C[C@@H]1CC[C@H]([C@@H](Br)c2c(Br)sc(Br)c2Br)O1 1897064414 AIJAFJKADDKQHC-WYDQCIBASA-N 497.872 6.039 50 10 JKGE Fc1c(Br)cc(Cl)c([C@H](Cl)C2(Br)CC2)c1Br 1900362401 UWEWHKJQRZUURX-VIFPVBQESA-N 455.774 6.212 50 10 JKGE FC(F)C(F)(F)C[C@@H](Br)c1sc(Cl)cc1I 1901029127 RISWVBKFYFAGQV-GSVOUGTGSA-N 451.448 5.733 50 10 JKGE C[C@@H]1C[C@@H](n2c(CCl)nc3c(Br)cc(F)cc32)CCN1Cc1ccccc1 1912674852 UFRKAKSKISXMNS-PBHICJAKSA-N 450.783 5.902 50 10 JKGE C[C@H](Cl)CN(Cc1ccccc1)C(=O)c1csc(Br)c1Br 1914634705 UGWZJJUBAILYDT-JTQLQIEISA-N 451.611 5.543 50 10 JKGE Clc1c(Br)sc(Br)c1[C@H](Br)[C@@H]1CC[C@H]2C[C@@H]1CO2 1923068307 PMLSUYQBQGNNEY-JVZYCSMKSA-N 479.459 6.178 50 10 JKGE Clc1cccc(C[C@@H](Cl)c2c(Br)sc(Br)c2Br)c1 1924591898 VAUKTNMWQXWCAS-MRVPVSSYSA-N 493.873 7.212 50 10 JKGE COc1ccc([C@@H](Br)c2c(Cl)sc(Cl)c2Cl)cc1Br 1925585111 NDJCYKKOGSLSBB-SECBINFHSA-N 465.421 6.964 50 10 JKGE Clc1cccc(C[C@H](Br)c2csc(Br)c2Br)c1 1945183821 OLHAOQFKWAUUSM-JTQLQIEISA-N 459.428 6.605 50 10 JKGE Brc1csc([C@H](Br)c2ccc(CC3CC3)s2)c1Br 2027408590 MJVROUPBLACSBB-GFCCVEGCSA-N 471.077 6.771 50 10 JKGE Brc1scc([C@@H](Br)c2ccc(CC3CC3)s2)c1Br 2032953389 IMCVBWIKKKTEOA-LLVKDONJSA-N 471.077 6.771 50 10 JKGE Cl[C@@H](c1c(Br)sc(Br)c1Br)C1CC(C2CCC2)C1 2056677232 JPENGJBYHINJJM-OIAXGBPSSA-N 477.487 7.142 50 10 JKGE Cl[C@@H](c1c(Br)sc(Br)c1Br)[C@H]1C[C@@H]2CC[C@H](C1)O2 2061005345 LOHKSIXKDNFZEA-QGOVLLJGSA-N 479.459 6.273 50 10 JKGE COc1c(Cl)cc(Br)cc1[C@H](Br)c1ncsc1Br 2082860306 ACAHVZBTSBZXGK-QMMMGPOBSA-N 476.415 5.814 50 10 JKGE Brc1cc([C@@H](Br)c2ccccc2I)cc2c1OCC2 2090460716 LSZVDEFBEUWMPZ-CQSZACIVSA-N 493.964 5.473 50 10 JKGE Clc1ccc(I)c(CC2(CBr)CC3(CCOC3)C2)c1 2095643620 AXJHCNWDEWDGGW-UHFFFAOYSA-N 455.561 5.069 50 10 JKGE BrC[C@@]12CCC[C@@H]1CN(Cc1cccc(Br)c1Br)C2 2103172347 MLWOOJWISPPUDY-IUODEOHRSA-N 452.028 5.209 50 10 JKGE COc1ccc([C@H](Br)c2sc(Br)c(C)c2Br)c(Cl)c1 2109670917 XHKFRUBDERPKLZ-NSHDSACASA-N 489.454 6.728 50 10 JKGE Cc1cc([C@@H](Br)c2c(Cl)cccc2Br)c(C)cc1Br 2113159999 ZYBBUUAEUCHCPW-OAHLLOKOSA-N 467.426 6.966 50 10 JKGE Cc1cc(Br)c([C@H](Br)[C@H]2C[C@@H]2C2CCCC2)cc1Br 2135274794 YNRJAKVQFCFIJF-BFQNTYOBSA-N 451.040 6.782 50 10 JKGE Cc1ccc([C@@H](Br)c2cc(Br)c(Cl)cc2C)c(Br)c1 2137642249 IDYHCYMPHIBBNO-OAHLLOKOSA-N 467.426 6.966 50 10 JKGE CCOc1ccc([C@H](Br)c2ccc(Br)cc2I)cc1 2142288549 STYCHVLBYCQGTB-HNNXBMFYSA-N 495.980 5.937 50 10 JKGE Clc1cc(C[C@H]2CCCCCCC[C@@H]2Br)ccc1I 2142952710 JYZBSIFZKWRHIF-KGLIPLIRSA-N 455.605 6.611 50 10 JKGE CC[C@](C)(Cn1c(CCl)nc2cc(Br)c(Cl)cc21)N(C)Cc1ccccc1 2159874149 NGILLVYDDRVEGG-OAQYLSRUSA-N 469.254 6.492 50 10 JKGE C[C@@H](Cl)c1nc2cc(Cl)c(Br)cc2n1CC(C)(C)N(C)Cc1ccccc1 2169001450 AKPQXMMNLLYFJF-CQSZACIVSA-N 469.254 6.663 50 10 JKGE Fc1cc(Br)cc(N2CCC[C@]3(CCN(Cc4ccccc4)C3)C2)c1CBr 2170693170 XYZMOFFDUWLNDZ-JOCHJYFZSA-N 496.262 5.976 50 10 JKGE COC1(C(F)(F)F)CC([C@H](Br)c2cc(Br)ccc2Br)C1 2182021898 LUIIHEXFVXJLSV-ABKVURRNSA-N 480.944 6.005 50 10 JKGE Cc1ccc(C)c([C@@H](Br)c2c(C)c(Br)cc(C)c2Br)c1 2201074351 RFBNWMZTHLLPQX-QGZVFWFLSA-N 461.035 6.930 50 10 JKGE Cc1cc(Br)c(C)c([C@@H](Br)C23CCOC(C)(C2)C3)c1Br 2201080217 XDCMLJFTDOWHGC-QQFBHYJXSA-N 467.039 6.224 50 10 JKGE CC[C@H]1CC[C@@H](CC(CBr)(CBr)c2ccccc2Br)O1 2201413902 SDHPOTBYLMZIDU-STQMWFEESA-N 469.055 5.824 50 10 JKGE FC1(F)C2(CC2)C12CC([C@@H](Br)c1ccc(Br)cc1Br)C2 2203701894 CJPZVYGFFYETAP-YEMQSEFVSA-N 470.977 6.473 50 10 JKGE CC(C)(C)C[C@H](CCl)CNC(=O)c1ccc(Br)cc1I 2207268001 PDUOLMPTABWOJJ-SNVBAGLBSA-N 472.592 5.075 50 10 JKGE Cc1cc(Br)c([C@@H](Cl)c2c(Cl)sc(Br)c2Cl)s1 2215950077 WFXJGCACKLMUAP-LURJTMIESA-N 455.451 7.278 50 10 JKGE CC[C@@H](Br)CN(Cc1ccccc1)C(=O)c1ccc(OC)cc1Br 2217374466 CNXHFJFPRZLBCY-OAHLLOKOSA-N 455.190 5.274 50 10 JKGE CC(C)(F)[C@](C)(F)[C@H](Br)c1cc(Br)c(Br)cc1F 2218597528 MYINBXSKLIAKCO-ZYHUDNBSSA-N 452.934 6.263 50 10 JKGE Cc1cscc1[C@@H](Br)c1c(Br)cc(C)c(Br)c1C 2220145727 DSLPCHOESRMLGC-CQSZACIVSA-N 453.037 6.683 50 10 JKGE Cc1sc([C@@H](Br)c2sc(Br)c(C)c2Br)c(C)c1C 2221244362 CEDHPZKFXZJVCP-SNVBAGLBSA-N 473.093 7.053 50 10 JKGE Cc1cc(Br)sc1[C@@H](Br)Cc1ccc(Br)cc1Cl 2221703757 KJKOJXAHBGDNIH-JTQLQIEISA-N 473.455 6.914 50 10 JKGE Brc1ccc(Br)c([C@H](Br)[C@@H]2OC[C@@H]3CCCC[C@H]32)c1 2224953853 ZAQRKJYGVHWECX-OCVOHJKQSA-N 453.012 5.853 50 10 JKGE Cl[C@@H](c1c(Br)sc(Br)c1Br)[C@H]1C[C@H]2CCC[C@H](C2)C1 2225322489 UGWOHLQJGFLGRG-JXVAYASWSA-N 491.514 7.532 50 10 JKGE COc1ccc([C@H](Br)c2sc(C)c(C)c2Br)c(Br)c1 2229319354 GRQHLXJNCZRFIV-ZDUSSCGKSA-N 469.036 6.383 50 10 JKGE Cc1cc(Br)c([C@@H](Br)c2cccc(F)c2Br)c(C)c1Cl 2232530092 OSEUFYSNFQLYIS-AWEZNQCLSA-N 485.416 7.105 50 10 JKGE Cc1c(Br)csc1[C@H](Br)c1cc2c(cc1Br)OCCO2 2234517903 RRHRQIDQNAMTMY-CYBMUJFWSA-N 483.019 5.837 50 10 JKGE FC1(F)CC[C@@H]([C@@H](Br)c2c(Br)sc(Br)c2Cl)C1 2252723787 SNNOSPUWRQLFEK-INEUFUBQSA-N 473.402 6.798 50 10 JKGE Clc1ccc([C@@H](Br)c2cc3sccc3s2)cc1I 2256334969 DTPZOCJDIMTULJ-CYBMUJFWSA-N 469.594 6.705 50 10 JKGE Cc1cc(Br)c([C@H](Br)c2cc(Br)oc2C)c(C)c1F 2264492104 LSFFTYXOOMOUKV-CYBMUJFWSA-N 454.959 6.353 50 10 JKGE CCc1cc([C@@H](Br)c2ccc(OC)c(Br)c2)sc1Br 2267766038 QTMSTDUWNGCPJW-ZDUSSCGKSA-N 469.036 6.328 50 10 JKGE CCc1cc([C@H](Br)c2ccc(Br)cc2OC)sc1Br 2267766967 WKJMUDSDDRXNKG-CYBMUJFWSA-N 469.036 6.328 50 10 JKGE COc1ccc([C@H](Br)c2cc(C)cc(Cl)c2)cc1I 2269556710 QQDTYGMAGHFDOU-HNNXBMFYSA-N 451.529 5.746 50 10 JKGE COc1cc(C=C(C#N)c2ccc(Cl)cc2)c(Br)cc1OCc1ccccc1 2293205587 PARSYRVTVHGHEF-UHFFFAOYSA-N 454.751 6.754 50 10 JKGE Brc1cc(Br)cc(C[C@@H](Br)c2ccc3sccc3c2)c1 2295338495 XQKWIQNMZHSELJ-OAHLLOKOSA-N 475.043 7.105 50 10 JKGE CCC(=O)Nc1sc(C(C#N)=Cc2cccc(Oc3ccccc3)c2)nc1-c1ccccc1 2296540308 POHRXMMCLDCGLU-UHFFFAOYSA-N 451.551 7.015 50 10 JKGE CC(F)(F)[C@@H]1C[C@H]1[C@H](Br)c1cc(Br)ccc1OCc1ccccc1 2299508638 KFAOVFVAERVLCS-KYJSFNMBSA-N 460.156 6.755 50 10 JKGE CCOc1cc(C=C(C#N)C(=O)NCc2cccs2)ccc1OCc1ccc(Cl)c(Cl)c1 2313540811 WALNPGHDSRQDTO-UHFFFAOYSA-N 487.408 6.256 50 10 JKGE Brc1ccc(OCc2ccccc2)c([C@H](Br)C2CC3(CCCC3)C2)c1 2314451666 HADAKPPEPADTFY-OAQYLSRUSA-N 464.241 7.435 50 10 JKGE CCC(F)(F)C(C)(C)[C@H](Br)c1ccc(OCc2ccccc2)cc1Br 2314454976 KOTSWIVZDMFXBV-GOSISDBHSA-N 476.199 7.536 50 10 JKGE CCOC(=O)c1ccc(-c2ccc(C=C(C#N)c3nc(-c4cccc5ccccc45)cs3)o2)cc1 2314457071 XPKUWQMCRWNETE-UHFFFAOYSA-N 476.557 7.464 50 10 JKGE CSc1ccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)C=Cc4ccc(Cl)cc4)ccc32)cc1 2314634425 RNIJFJKWQGEYBB-RUZDIDTESA-N 474.969 5.899 50 10 JKGE CCCCNC(=O)C(C#N)=Cc1ccc(OC(=O)CCCOc2cc(C)c(Cl)c(C)c2)c(OC)c1 2314785628 FVTIWNMWMGSPPS-UHFFFAOYSA-N 499.007 5.553 50 10 JKGE Fc1c(Br)cc(Cl)c([C@H](Br)[C@@H]2CC[C@@H]3C[C@@H]32)c1Br 2315441305 FXKQCHFQNMXTIA-FHZUQPTBSA-N 461.394 6.486 50 10 JKGE CC12CC(C1)[C@H]([C@H](Br)c1cc(Br)ccc1OCc1ccccc1)CO2 2315917299 FLHLOWYVDQWICE-DVXKCVGBSA-N 466.213 6.279 50 10 JKGE CC[C@@H](NC(=O)C(C#N)=CNc1ccc(Oc2ccccc2)cc1)c1ccc2c(c1)CCCC2 2325079330 BGQYQQSVUNPVIZ-MUUNZHRXSA-N 451.570 6.445 50 10 JKGE CC(C)CN(Cc1ccc(I)c(Br)c1)C[C@@H](C)Br 2325214878 SZOSTRRNJKGBAD-LLVKDONJSA-N 489.033 5.295 50 10 JKGE CCOc1cc(C=C(C#N)c2nc(O)c3ccc(C(=O)OC)cc3n2)ccc1OCc1ccccc1F 2331046443 XTYPTAGJZOJNHT-UHFFFAOYSA-N 499.498 5.303 50 10 JKGE COc1ccc(C=C(C(O)=C(C#N)c2nc(-c3c[nH]c4ccccc34)cs2)c2ccccc2)cc1 2331347084 UCVOQKVHPBPEQC-UHFFFAOYSA-N 475.573 7.333 50 10 JKGE COc1ccc(C(C)(C)C)cc1-c1csc(C(C#N)=C(O)C=Cc2ccc(Cl)cc2Cl)n1 2331350740 QADGGCREMSAYSD-UHFFFAOYSA-N 485.436 7.929 50 10 JKGE COc1c(Cl)cc(Cl)cc1-c1csc(C(C#N)=C(O)c2cccc(OC(C)=O)c2)n1 2331362469 OCPOYJLSASQLIP-UHFFFAOYSA-N 461.326 6.001 50 10 JKGE Cc1ccc(-c2csc(C(C#N)=C(O)C(=Cc3ccc(OC(C)C)cc3)c3ccccc3)n2)cc1C 2331382692 VVKLTFACGGBJCS-UHFFFAOYSA-N 492.644 8.248 50 10 JKGE CCOc1ccc(-c2csc(C(C#N)=C(O)C=Cc3ccc(C(C)(C)C)cc3)n2)c(OCC)c1 2331386452 AHACLROCFYLZBE-UHFFFAOYSA-N 474.626 7.411 50 10 JKGE N#CC(=C(O)c1ccc(N2C(=O)c3ccccc3C2=O)cc1)c1nc(-c2ccc(Cl)s2)cs1 2331400821 ZOGDDBIGWXKXSE-UHFFFAOYSA-N 489.965 6.275 50 10 JKGE CC12CC([C@@H](Br)c3sc(Cl)cc3I)(C1)C1(CCC1)O2 2338565891 FXYKXLJEUNSCAI-HIFPTAJRSA-N 473.601 5.934 50 10 JKGE Brc1ccc([C@@H](Br)[C@@H]2C[C@H]3CCC[C@H]2CC3)c(Br)c1 2338744366 NHMKFOYSVWKSES-FNNPODNZSA-N 451.040 6.864 50 10 JKGE Cc1cc(Br)c(F)c(Br)c1[C@H](Br)[C@@H]1C[C@@H]1[C@@H]1C[C@H]1C 2339651610 QWHAXMLQKWWBFY-RRDYINPDSA-N 455.003 6.387 50 10 JKGE CCC[C@H](CC(C)C)[C@@H](Br)c1c(Cl)cc(Br)c(F)c1Br 2362220094 FAQLHZOFZXDDOZ-NOZJJQNGSA-N 493.480 7.903 50 10 JKGE CCCN[C@H](c1c(Cl)cc(Br)c(F)c1Br)[C@H]1C[C@@H](Br)C1 2362250988 HUXSFTNWEAUIAA-GIHMMQTOSA-N 492.452 6.218 50 10 JKGE Cc1cc(Br)c(F)c(Br)c1[C@H](Br)[C@@H]1[C@H](C)O[C@@H](C)[C@@H]1C 2365180713 STKHPQPAJCJPHF-YOEVNWDCSA-N 473.018 6.155 50 10 JKGE Cc1cc(Br)c(F)c(Br)c1[C@@H](Cl)c1ccc(F)cc1Br 2365187843 FCBWKDMQNCGDIC-ZDUSSCGKSA-N 489.379 6.889 50 10 JKGE COc1c(Br)cc(C)c([C@H](Br)C[C@H]2OCC[C@H]2C)c1Br 2365216220 RVRFKBCFMIFDSE-HLUHBDAQSA-N 471.027 5.780 50 10 JKGE CN(Cc1ccc(Cl)cc1I)[C@@H](CBr)c1ccccc1 2366722675 MFBMQYIBYSEVMU-INIZCTEOSA-N 464.572 5.513 50 10 JKGE Cc1ccc(N/C=C(/C=O)c2nc3ccccc3o2)cc1N/C=C(/C=O)c1nc2ccccc2o1 2901954 SIFYPWGAWZGTMF-SXQSXHJWSA-N 464.481 5.581 50 10 JKGE N#C/C(=C\c1cc(Cl)c(OCc2ccc([N+](=O)[O-])cc2)c(Cl)c1)c1ccc(C(=O)O)cc1 33477647 SGGNDGLADNWLKG-GIJQJNRQSA-N 469.280 6.243 50 10 JKGE CCc1ccc(OCC(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@@H]3c2ccccc2Cl)cc1 38651081 IJSMAEVISYPWOB-RUZDIDTESA-N 460.917 5.105 50 10 JKGE COc1cccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4cc(Cl)c(OC)c(Cl)c4)ccc32)c1 38687321 ILDCOXYETFZEOA-JOCHJYFZSA-N 497.334 5.448 50 10 JKGE CCCOc1cccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4oc5ccccc5c4C)ccc32)c1 38700993 SUGYBJNFIYTVIN-AREMUKBSSA-N 480.520 5.967 50 10 JKGE COc1ccc(CC(=O)N/N=C\c2c(O)c(C(C)(C)C)cc3oc4c(c23)CCCC4)cc1OC 38804122 KMOMKBYCTHEQOA-MBTHVWNTSA-N 464.562 5.025 50 10 JKGE COc1ccccc1C(=O)Oc1ccc2c(c1)OC(N)=C(C#N)[C@@H]2c1cccc(OCCC(C)C)c1 40529976 SOIKTLXHDPQOOD-HHHXNRCGSA-N 484.552 5.557 50 10 JKGE Cc1c(C(=O)Nc2cccc3cccnc23)oc2c1/C(=N/NC(=O)c1cccc3ccccc13)CCC2 40813634 CJLHEQCXNNSNDI-GZZLJNBRSA-N 488.547 6.012 50 10 JKGE COc1cc(/C=C(\C#N)c2ccccc2)ccc1OC(=O)c1c(-c2ccccc2Cl)noc1C 40851088 QZAPFKFVGOERQL-XSFVSMFZSA-N 470.912 6.595 50 10 JKGE Cc1ccc(/C=N/NC(=O)CCCCCCCCCCC(=O)N/N=C/c2ccc(C)cc2)cc1 59502637 FAUOWBIAAURGGA-VFIVCBTMSA-N 462.638 5.805 50 10 JKGE N#C/C(=C/Nc1ccc(I)cc1)c1nc(-c2cc3ccccc3oc2=O)cs1 100419197 FPRBKLMYTLWZLD-KAMYIIQDSA-N 497.317 5.498 50 10 JKGE CCCN1C(=O)C(C#N)=C(C)/C(=C\c2cn(-c3ccccc3)nc2-c2ccc(OCC(C)C)cc2)C1=O 101332775 AAKZUTHLGOXIGT-WGOQTCKBSA-N 494.595 5.576 50 10 JKGE Cc1cccc(N/C(SCc2cccc(Cl)c2)=C(\C#N)S(=O)(=O)c2ccccc2)c1C 104689552 ARWAPPIRSKYLRO-VHXPQNKSSA-N 469.031 6.469 50 10 JKGE COc1ccc(COc2ccc(Br)cc2CBr)cc1Br 110376618 WWDKTACWKNPYDI-UHFFFAOYSA-N 464.979 5.694 50 10 JKGE FC(F)(F)c1cc([C@@H](Br)c2cc(Cl)ccc2Cl)ccc1Br 124615684 PLUHNRHLRZLATI-CYBMUJFWSA-N 462.918 7.259 50 10 JKGE COc1c(C)cc(Br)c(C)c1[C@H](Br)c1c(Cl)cccc1Cl 125724154 XLJPBTYJIHUFTA-HNNXBMFYSA-N 453.001 6.866 50 10 JKGE Cc1cc(Br)c([C@@H](Cl)c2ccc(Br)cc2Cl)cc1Br 128616264 VQKSFSCODVMCSR-AWEZNQCLSA-N 487.844 7.264 50 10 JKGE COCCc1ccc([C@@H](Br)c2cc(Br)c(Br)s2)cc1 128859835 JAWPQXXYFZVZIG-CYBMUJFWSA-N 469.036 5.946 50 10 JKGE COc1ccc(NC(=O)/C(C#N)=C\c2c(C)nn(Cc3ccccc3Cl)c2C)cc1Cl 210006749 VFFBDEJLDYTKRX-YVLHZVERSA-N 455.345 5.409 50 10 JKGE COc1ccc(Cl)cc1NC(=O)/C(C#N)=C\Nc1ccc(-c2nc3ccc(C)cc3s2)cc1 217166296 YKNKXPJLSKOGRP-VKAVYKQESA-N 474.973 6.392 50 10 JKGE CCCCOC(=O)c1ccccc1NC(=O)/C(C#N)=C\N(Cc1ccccc1)Cc1ccccc1 217240662 GKDPZVHIMLOJDF-LVWGJNHUSA-N 467.569 5.692 50 10 JKGE N#C/C(=C/NC1CCCCCCCCCCC1)C(=O)Nc1ccc(Cl)c(C(F)(F)F)c1 217249609 VRNQUUPNPQWHMD-MSUUIHNZSA-N 455.952 6.968 50 10 JKGE COc1ccc([C@@H](Br)c2ccc(Cl)c(Br)c2)cc1Br 234978296 NQNWAKALYPOUFD-AWEZNQCLSA-N 469.398 6.358 50 10 JKGE O=C(NN=Cc1c(Br)sc2ccccc12)C(O)(c1ccccc1)c1ccccc1 252610077 HYYUTDNZJRHTFS-UHFFFAOYSA-N 465.372 5.050 50 10 JKGE CC(=NNC(=O)CSc1nnc(-c2ccc(C(C)(C)C)cc2)n1-c1ccc(C)cc1)c1ccccc1 254391051 FJRLBELTURPREB-UHFFFAOYSA-N 497.668 6.173 50 10 JKGE CC(C)(C)c1ccc(-c2nnc(SCC(=O)NN=C/C=C/c3ccccc3)n2-c2ccccc2)cc1 254852860 ALCDWJNFNAJBEH-JJQPAPRTSA-N 495.652 6.139 50 10 JKGE CC(=NNC(=O)[C@H]1C[C@@H]1c1ccc(C(C)(C)C)cc1)c1ccc(NC(=O)c2ccc(Cl)cc2)cc1 254863225 HTARNNOWABQFGZ-FTJBHMTQSA-N 488.031 6.534 50 10 JKGE Cc1ccc([C@H](Br)c2cc3c(cc2Br)OCC3)c(Br)c1 308412117 GQHMLDXDTOYAIJ-INIZCTEOSA-N 460.991 5.939 50 10 JKGE C[C@@H]1CN(Cc2ccccc2)CC[C@H]1n1c(CCl)nc2cc(F)c(Br)cc21 397947750 JNSHFXJNYOHETJ-AUUYWEPGSA-N 450.783 5.760 50 10 JKGE C[C@]1(n2c(CCCl)nc3ccc(F)c(Br)c32)CCN(Cc2ccccc2)C1 689763242 NGVYUCWCDVLUJM-NRFANRHFSA-N 450.783 5.340 50 10 JKGE C[C@@H](Cl)c1nc2cccc(Br)c2n1-c1cccc(I)c1 697743059 BXSSFHVKBGYNQG-SECBINFHSA-N 461.528 5.692 50 10 JKGE CC1(C)CC[C@H](CBr)N(C(=O)c2scc(Br)c2Br)C1 705449183 YBTWLHZZFRUMNG-MRVPVSSYSA-N 474.056 5.299 50 10 JKGE C#CCOc1ccc(C=NNC(=O)c2ccc(-n3c(C)ccc3-c3ccccc3)cc2)cc1CC=C 1084169781 FLZIOEBSGSBEFO-UHFFFAOYSA-N 473.576 5.957 50 10 JKGE O=C(NN=Cc1cccc(Br)c1)c1ccc(NC(=O)c2ccc(Cl)cc2)cc1 1084299550 MOMBXTZNGZZJKB-UHFFFAOYSA-N 456.727 5.119 50 10 JKGE CCOc1ccc(C(=O)NN=Cc2ccc(OCc3ccc(Br)cc3)cc2)cc1 1084311146 MMEWLXRZZRKFPB-UHFFFAOYSA-N 453.336 5.191 50 10 JKGE O=C(CCCC(=O)NN=Cc1cccc(Cl)c1Cl)NN=Cc1cccc(Cl)c1Cl 1084423471 HXLWEBWSGKQETP-UHFFFAOYSA-N 474.175 5.071 50 10 JKGE Cc1ccc(-n2c(C)cc(C=NNC(=O)CSCc3ccccc3Br)c2C)c(C)c1 1084619098 UEIGCLUUEHOXGZ-UHFFFAOYSA-N 484.463 5.857 50 10 JKGE N#C/C(=C\c1cc(Br)c(Sc2ccc(Cl)cc2)o1)c1cccc(C(F)(F)F)c1 1084654686 KBJFXLLRKLIIGL-UKTHLTGXSA-N 484.724 7.930 50 10 JKGE Cc1c(C(=O)N2c3ccc(F)cc3CC[C@@H]2C)oc2c1C(=NNC(=O)c1cccc(Cl)c1)CCC2 1772745900 KCMVJIFNSMBVBT-HNNXBMFYSA-N 493.966 5.832 50 10 JKGE Cc1c(C(=O)Nc2ccc3c(c2)OCO3)oc2c1C(=NNC(=O)c1cccc3ccccc13)CCC2 1772748397 PNGQHNUQPYRANW-UHFFFAOYSA-N 481.508 5.193 50 10 JKGE CCOc1c(C=NNC(=O)CCCOc2ccc(C(C)(C)C)cc2Br)cccc1OC 1772755417 GRRPHNUTWXUJMP-UHFFFAOYSA-N 491.426 5.463 50 10 JKGE COc1ccc(-c2nn(-c3ccccc3)c3c2[C@@H](c2ccc(Cl)cc2Cl)C(C#N)=C(N)O3)cc1 1865684957 BJJUUCPPTRQURP-QFIPXVFZSA-N 489.362 6.073 50 10 JKGE CCc1nn(-c2ccc(Br)cc2)c2c1[C@H](c1c(Cl)cccc1Cl)C(C#N)=C(N)O2 1865685083 CZASPNONWIZWSM-KRWDZBQOSA-N 490.188 5.722 50 10 JKGE COc1ccc(-c2nn(Cc3cccc(F)c3)c3c2[C@@H](c2ccccc2Cl)C(C#N)=C(N)O3)cc1 1865686665 YWUBRIIWLNRDSE-QHCPKHFHSA-N 486.934 5.618 50 10 JKGE CCOc1ccc([C@@H]2C(C#N)=C(N)Oc3c2c(-c2ccc(OC)cc2)nn3Cc2ccc(F)cc2)cc1 1865695014 HUQVJWUEJDHENJ-RUZDIDTESA-N 496.542 5.363 50 10 JKGE CC(C)Oc1ccccc1[C@@H]1C(C#N)=C(N)Oc2c1c(C(F)(F)F)nn2-c1ccccc1Cl 1865705040 KMXYXOOBMRQPPF-GOSISDBHSA-N 474.870 5.550 50 10 JKGE COc1ccc(-c2nn(-c3ccccc3Cl)c3c2[C@H](c2ccccc2[N+](=O)[O-])C(C#N)=C(N)O3)cc1 1865710000 MAWNJUHIUXHXKX-JOCHJYFZSA-N 499.914 5.328 50 10 JKGE COCCc1nc(Nc2ccc(SC#N)cc2)cc(N2CCC[C@H]2c2ccc(C(C)(C)C)cc2)n1 1868253430 HGDMJKYACGATFP-DEOSSOPVSA-N 487.673 6.621 50 10 JKGE COc1ccc2c(c1)c(/C=C1\Oc3cc(OCc4cccc(CCl)c4)cc(C)c3C1=O)cn2C 1871436906 BKSIGDVEQAZXHN-RAWMCFOBSA-N 473.956 6.429 50 10 JKGE CS(=O)(=O)Nc1ccc(/C(O)=C(\C#N)c2nc(-c3ccc(Cl)cc3Cl)cs2)cc1 1872745236 YSWWEJHSNWCEMR-SDXDJHTJSA-N 466.371 5.438 50 10 JKGE C[C@H](Oc1ccc(Cl)cc1Br)/C(O)=C(\C#N)c1nc(-c2cccs2)cs1 1872750255 DWCHTZVIGVDYDC-JCROAMGPSA-N 467.797 6.548 50 10 JKGE CCOc1ccc(-c2csc(/C(C#N)=C(O)/C=C/c3cccc([N+](=O)[O-])c3)n2)c(OCC)c1 1872755422 MCGGJMLLEUBSGE-VPRJXVDDSA-N 463.515 6.022 50 10 JKGE Cc1ccc(C(C)(C)C)cc1-c1csc(/C(C#N)=C(\O)[C@@H](C)Oc2ccc(Cl)cc2Cl)n1 1872755830 IGLGUCIUBAEGIM-GUYLDNPGSA-N 487.452 7.983 50 10 JKGE CCCOc1c(Br)cc(/C=C(\C#N)c2nc(-c3ccc(CC)cc3)cs2)cc1OC 1872781604 LMPBKIYRQNNTSZ-YBFXNURJSA-N 483.431 6.997 50 10 JKGE CCOc1cc(/C=C(\C#N)c2nc(-c3cccc(Cl)c3)cs2)cc(Br)c1O 1872790099 KZVRLWKYLIYPME-MKMNVTDBSA-N 461.768 6.394 50 10 JKGE C[C@@H](c1cccs1)N(Cc1ccccc1)S(=O)(=O)c1cc(CCl)oc1Br 1914877340 DAPUXPDRUKXJNW-ZDUSSCGKSA-N 474.829 5.795 50 10 JKGE C[C@@H](CCBr)N(Cc1ccccc1)S(=O)(=O)c1cccc(C(F)(F)F)c1 1915095641 ZKMBHTALBLAEGK-AWEZNQCLSA-N 450.320 5.070 50 10 JKGE Clc1cc(Br)ccc1CN(Cc1ccccc1)[C@H](CBr)C1CC1 1915206949 CDVRULBIPSPXGJ-LJQANCHMSA-N 457.637 6.278 50 10 JKGE CCCOc1ccc([C@@H](Br)c2cc(C)c(Br)o2)cc1Br 1917613075 RJFPVZUWDYASBC-CQSZACIVSA-N 466.995 6.386 50 10 JKGE Fc1cc(Cl)cc([C@@H](Br)c2cc(Br)sc2Br)c1 1918780571 CGJFSLZVTVJTJD-SNVBAGLBSA-N 463.391 6.550 50 10 JKGE CS(=O)(=O)c1cccc([C@@H](Cl)c2c(Br)sc(Br)c2Cl)c1 1923047468 BVMSAFTWAQQRSW-SECBINFHSA-N 479.042 5.658 50 10 JKGE Clc1c(Br)sc(Br)c1[C@H](Br)[C@H]1CCCCO1 1923067972 LDAKPIGPZAIJPR-IYSWYEEDSA-N 453.421 5.932 50 10 JKGE CC1(C)C[C@H]([C@H](Cl)c2c(Br)sc(Br)c2Cl)C(C)(C)O1 1923068608 UMBQDNQHXZGOCD-SVRRBLITSA-N 451.051 6.800 50 10 JKGE COc1sccc1[C@H](Cl)c1c(Br)sc(Br)c1Br 1924570741 MKFHKLVUGINEOO-ZETCQYMHSA-N 481.456 6.434 50 10 JKGE Fc1cc([C@H](Br)c2c(Cl)sc(Br)c2Cl)ccc1Cl 1925587767 LYYSQEGICSDYAS-QMMMGPOBSA-N 453.385 7.094 50 10 JKGE C[C@]1(CI)CC[C@@H](c2scc(Br)c2Br)O1 1930748759 IXEYSKGHIOOAMJ-OIBJUYFYSA-N 465.976 5.318 50 10 JKGE C[C@H](CCBr)N(Cc1ccccc1)C(=O)c1cscc1OCc1ccccc1 1934836190 OWYXSWCJRPPTGQ-GOSISDBHSA-N 458.421 6.143 50 10 JKGE CCc1sc(Br)cc1[C@@H](Br)c1ccc(Br)cc1Cl 2030223574 UWZUORZSBKEXOU-ZDUSSCGKSA-N 473.455 6.973 50 10 JKGE CCc1cc(C)sc1[C@H](Br)c1cccc(Br)c1Br 2031479916 PGDBGGCKKQYTGE-CYBMUJFWSA-N 453.037 6.628 50 10 JKGE Fc1cnccc1C[C@@H](Br)c1cc(I)ccc1Br 2033936266 QQYKSOYXXLKLFF-GFCCVEGCSA-N 484.932 5.267 50 10 JKGE COc1ccc(C=C(C#N)c2n[nH]c(CSc3ncc(C(F)(F)F)cc3Cl)n2)cc1 2053541905 QEALUSMBTQAABM-UHFFFAOYSA-N 451.861 5.237 50 10 JKGE FC[C@]12C[C@]([C@@H](Br)c3c(Br)sc(Br)c3Cl)(CO1)C2 2082593374 CDBRGMHGSJFQRS-SWPVVBRQSA-N 483.422 5.881 50 10 JKGE COc1sc([C@H](Cl)c2ccc(I)c(C)c2)cc1Br 2086020672 UBHWFBFPELUEHY-GFCCVEGCSA-N 457.558 5.760 50 10 JKGE CS(=O)(=O)c1csc([C@H](Br)c2cc(Br)ccc2Br)c1 2093074364 LAXUGOWLMSULAI-GFCCVEGCSA-N 489.048 5.161 50 10 JKGE O=S(=O)(c1cc(Br)cc(CCl)c1F)N(Cc1ccccc1)CC1CCC1 2095908876 OVBQDBZHOYOSAZ-UHFFFAOYSA-N 460.796 5.318 50 10 JKGE C[C@H](Cl)c1nc2cc(Br)c(Cl)cc2n1[C@@H](C)CN(C)Cc1ccccc1 2103808870 APOCLUZFPNUKMS-KBPBESRZSA-N 455.227 6.445 50 10 JKGE O=C(NC[C@H]1CCCC[C@@H](Br)C1)c1cc(Br)sc1Br 2107481243 PASDIWWWGRVBIV-DTWKUNHWSA-N 474.056 5.347 50 10 JKGE FC1(F)[C@H]2C[C@](CBr)(Cc3c(Br)cccc3Br)C[C@H]21 2107632662 IQEIPSOHFMFGSD-IWIIMEHWSA-N 458.966 5.811 50 10 JKGE Cn1ncc([C@@H](Br)c2ccc(-c3cccs3)s2)c1I 2140970771 NIYWWEREMNCSIJ-GFCCVEGCSA-N 465.179 5.299 50 10 JKGE Brc1ccc(Br)c([C@@H](Br)[C@H]2C[C@H]3COC[C@H](C3)C2)c1 2141799467 LHCQRGLUAOCVPL-DDIVZENXSA-N 453.012 5.710 50 10 JKGE Clc1cc(CN2CC[C@H]3CC[C@@H](Br)[C@H]2C3)ccc1I 2142948919 FNRBQSKJYPIIKQ-IXPVHAAZSA-N 454.577 5.083 50 10 JKGE ClCc1nc2cc(Br)c(Cl)cc2n1CC[C@H]1CCN(Cc2ccccc2)C1 2159865597 RCHPVCMABGIGCY-MRXNPFEDSA-N 467.238 6.103 50 10 JKGE Cc1cc(Br)c(C)c([C@H](Br)C2CCS(=O)(=O)CC2)c1Br 2201065926 VLGCDPVPOBGOEY-CQSZACIVSA-N 489.067 5.089 50 10 JKGE Cc1cc(Br)c(C)c([C@H](Cl)c2cccc(F)c2Br)c1Br 2201077173 HHIYSFQZYFXQNO-OAHLLOKOSA-N 485.416 7.058 50 10 JKGE COc1cc(F)c(Cl)cc1[C@@H](Br)c1cc(I)ccc1F 2207370457 FSTYRXSXOWLLCA-AWEZNQCLSA-N 473.482 5.716 50 10 JKGE Cc1c(Br)sc([C@H](Br)[C@@H]2CC[C@H]2C(F)(F)F)c1Br 2217674184 MRAMQVSRPSMPHR-ATRFCDNQSA-N 470.974 6.606 50 10 JKGE CCOCc1cc(Br)c([C@H](Br)c2nscc2Br)s1 2217987605 LDVNQSKSWKUHRM-SECBINFHSA-N 476.053 5.750 50 10 JKGE CC1([C@H](Br)c2c(Br)cc(Cl)c(Cl)c2Cl)CCOCC1 2224304898 NYFPLLNJBLLWBV-GFCCVEGCSA-N 451.413 6.662 50 10 JKGE COc1cscc1[C@H](Br)c1c(Br)cc(Cl)c(Cl)c1Cl 2224324513 VPHRTJIROYVFPL-JTQLQIEISA-N 465.421 6.964 50 10 JKGE Fc1cc(Br)c(Br)cc1[C@@H](Br)c1cccc(F)c1F 2225617783 RIYYSUZZQPIDIT-LBPRGKRZSA-N 458.897 6.113 50 10 JKGE Cc1cc(Br)c(C)c([C@H](Br)c2sc(C)c(C)c2C)c1Br 2236842670 ZWHOGPBCUSXATD-HNNXBMFYSA-N 481.091 7.300 50 10 JKGE Cc1cc(Br)ccc1[C@@H](Br)c1ccc2c(c1Br)CCO2 2238077221 RFRACZALAUTIEY-OAHLLOKOSA-N 460.991 5.939 50 10 JKGE CCc1cc([C@@H](Br)c2cc(Cl)cc(Br)c2)sc1Br 2256056971 RJWAWPIXCJZOJD-LBPRGKRZSA-N 473.455 6.973 50 10 JKGE COCCC1([C@H](Br)c2c(F)cc(Br)c(F)c2Br)CC1 2272722410 SNFQKUDVGQXUFZ-GFCCVEGCSA-N 462.954 5.743 50 10 JKGE Cn1cc(Cl)c([C@@H](Br)c2c(F)cc(Br)c(F)c2Br)n1 2272855271 LFRXGYQTQNDIAZ-VIFPVBQESA-N 479.344 5.361 50 10 JKGE C[C@@H](CCCCCI)NC(=O)c1cc(F)c(Br)cc1Cl 2282967796 QXVDYZPLQZXJCM-VIFPVBQESA-N 476.555 5.355 50 10 JKGE CC(C)c1ccc([C@@](C)(CI)OC2CCN(Cc3ccccc3)CC2)cc1 2287665129 ZYKDUIYHHCUKNO-XMMPIXPASA-N 477.430 6.141 50 10 JKGE Fc1cc(Br)c(F)c(Br)c1[C@H](Br)[C@H]1CC[C@H]1C(F)(F)F 2288345187 PUPDABWDAWBSBR-OBXARNEKSA-N 486.898 6.514 50 10 JKGE Fc1cc(Br)c(F)c(Br)c1[C@@H](Br)C1CC2(CCOC2)C1 2288376892 REJXYRNSDMALSM-XXCWSLKQSA-N 474.965 5.743 50 10 JKGE Cc1ccc([C@@H](Br)c2c(F)cc(Br)c(F)c2Br)cc1C 2288493400 RWYIJOYFDMNIJI-CYBMUJFWSA-N 468.961 6.591 50 10 JKGE N#CC(=Cc1ccc(OCc2ccc(F)cc2)cc1)C(=O)Nc1cc([N+](=O)[O-])ccc1Cl 2293677356 BQCANYVCBBZSBT-UHFFFAOYSA-N 451.841 5.512 50 10 JKGE COc1cc(F)c(CBr)c(Oc2cccc(C)c2I)c1 2295276391 FRSQOLZKUJOZNZ-UHFFFAOYSA-N 451.073 5.435 50 10 JKGE COC(=O)c1ccccc1NC(=O)C(C#N)=Cc1ccc(OC(=O)c2cccc3ccccc23)cc1 2295459793 YTAXLMYQAOXEEP-UHFFFAOYSA-N 476.488 5.391 50 10 JKGE CC(=O)c1ccc(NC=C(C#N)c2nc(-c3cc4cc(Br)ccc4oc3=O)cs2)cc1 2295937231 AQTFHECAECZFPS-UHFFFAOYSA-N 492.354 5.858 50 10 JKGE CC(=O)c1ccc(NC(=O)Cn2c(C)c(C=C(C#N)c3nc4ccccc4[nH]3)c3ccccc32)cc1 2297560284 KYXPPXZLHAGZNG-UHFFFAOYSA-N 473.536 5.732 50 10 JKGE Brc1cc(OCc2ccccc2)ccc1[C@H](Br)CC[C@@H]1CCOC1 2299502855 ACARYLVSPQBYIK-VQIMIIECSA-N 454.202 6.281 50 10 JKGE COc1sccc1[C@@H](Br)c1cc(Br)ccc1OCc1ccccc1 2299504876 QXNJJQFGFBDVNQ-GOSISDBHSA-N 468.210 6.583 50 10 JKGE Brc1ccc(OCc2ccccc2)c([C@H](Br)C2[C@H]3CCCC[C@H]23)c1 2299535610 RATHXYRKGINITF-FIKGOQFSSA-N 450.214 6.900 50 10 JKGE BrCc1cccc(Br)c1OCc1sccc1I 2301070348 BSJLSJCJLSZNBG-UHFFFAOYSA-N 487.982 5.589 50 10 JKGE Clc1ccc(I)cc1COC1(CI)CCCC1 2307203361 VHYSOKVNTZUAKK-UHFFFAOYSA-N 476.523 5.209 50 10 JKGE C=CCOc1c(Br)cc(C=C(C#N)C(=O)Nc2ccc(C)cc2C)cc1OCC 2313518238 YFTLWYQKVCGGMQ-UHFFFAOYSA-N 455.352 5.575 50 10 JKGE CCOc1cc(Br)c(C=C(C#N)C(=O)Nc2cccc(Cl)c2Cl)cc1OC 2313571437 WJOUUWMWAZCHPL-UHFFFAOYSA-N 470.150 5.709 50 10 JKGE CCOc1cc(Br)c(C=C(C#N)C(=O)Nc2cccc(Cl)c2Cl)cc1OCC 2313571591 ZWGNSNJMOPUIGI-UHFFFAOYSA-N 484.177 6.099 50 10 JKGE Brc1cc(OCc2ccccc2)ccc1[C@H](Br)[C@H]1CC2CCC1CC2 2314500449 NLNOMAASJOOZCO-ULHJQAPSSA-N 464.241 7.290 50 10 JKGE CC1=C(C#N)C(=O)N(Cc2ccccc2)C(=O)C1=Cc1ccc(-c2cc(Cl)ccc2Cl)o1 2314611253 RPMJXIVRYWRRBP-UHFFFAOYSA-N 463.320 6.046 50 10 JKGE COc1cccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)C=Cc4ccccc4Cl)ccc32)c1OC 2314634620 PJXULCCEYMNHTJ-VWLOTQADSA-N 488.927 5.194 50 10 JKGE CCCCCCOc1ccc(C=C(C#N)C(=O)Nc2ccc(C(=O)OCCC)cc2)cc1OC 2314728651 IVBOPHUXJLBQLI-UHFFFAOYSA-N 464.562 5.767 50 10 JKGE CCOc1cc(C=C(C#N)C(=O)NCc2ccco2)ccc1OC(=O)C=Cc1cccc(Cl)c1 2314771182 YZWRSLUZFBSBJS-UHFFFAOYSA-N 476.916 5.174 50 10 JKGE COc1cc(C=C(C#N)c2ccccc2F)ccc1OC(=O)CC(c1ccccc1)c1ccccc1 2320506481 KOJPNHJAKRQEEB-UHFFFAOYSA-N 477.535 7.026 50 10 JKGE CCN(CC)S(=O)(=O)c1ccc(C(=O)Oc2cccc(C=C(C#N)c3ccccc3OC)c2)cc1 2320511178 NABDZWYMRJKARR-UHFFFAOYSA-N 490.581 5.009 50 10 JKGE CCCCCCCOc1ccccc1C=NNC(=O)c1cc(-c2ccc(F)cc2)nc(O)n1 2323702139 PDSZLXSAWFAUNE-UHFFFAOYSA-N 450.514 5.101 50 10 JKGE COC(=O)c1c(NC(=O)C(C#N)=Cc2cccc(Cl)c2)sc(C)c1-c1ccc(C)c(C)c1 2329687291 HKLMOGOSXNQXKO-UHFFFAOYSA-N 464.974 6.326 50 10 JKGE Cc1nc(NC(=O)C(C#N)=Cc2cccc(Br)c2)sc1C(=O)Nc1ccccc1 2329698821 QHZMEJPZXKRXQF-UHFFFAOYSA-N 467.348 5.012 50 10 JKGE CC(=Cc1ccccc1)C(=O)N[C@H](CSCc1ccccc1)C(=O)Nc1ccc(SC#N)cc1 2330449093 YXMPVNQQMUKWHG-RUZDIDTESA-N 487.650 5.720 50 10 JKGE COc1ccc(OCC(O)=C(C#N)c2nc(-c3ccc(-c4ccccc4)cc3)cs2)c(C(C)(C)C)c1 2331231874 NZINCEFNBRLJSL-UHFFFAOYSA-N 496.632 7.655 50 10 JKGE N#CC(=C(O)c1ccc(N2C(=O)c3ccccc3C2=O)cc1)c1nc(-c2ccc3c(c2)OCO3)cs1 2331333897 LNHMMWOGHFCOAS-UHFFFAOYSA-N 493.500 5.289 50 10 JKGE CCOc1cc(C(O)=C(C#N)c2nc(-c3ccc(F)c(F)c3)cs2)cc(OCC)c1OCC 2331351546 DKRCYUUBUKQUTO-UHFFFAOYSA-N 472.513 6.234 50 10 JKGE COc1c(C)cc(Cl)cc1-c1csc(C(C#N)=C(O)[C@H](C)Oc2ccccc2C(C)C)n1 2331392299 ONGKICOPIPTFNO-INIZCTEOSA-N 469.006 7.164 50 10 JKGE COc1c(Cl)cc(-c2csc(C(C#N)=C(O)[C@H]3CC(=O)N(C(C)(C)C)C3)n2)cc1Cl 2331397479 HKUXRRRCTFWNEE-LBPRGKRZSA-N 466.390 5.565 50 10 JKGE COc1ccc(-c2csc(C(C#N)=Cc3ccccc3OCc3ccc(Cl)cc3)n2)cc1OC 2331418176 NYSCTUKRVQMQGY-UHFFFAOYSA-N 488.996 7.124 50 10 JKGE COc1ccc(C)cc1-c1csc(C(C#N)=Cc2ccc(OCc3ccccc3Cl)cc2)n1 2331449354 QLNCIYVZZQNJRL-UHFFFAOYSA-N 472.997 7.424 50 10 JKGE FC1(F)C[C@]12CC[C@@H]([C@@H](Br)c1cc(Br)ccc1OCc1ccccc1)C2 2336053926 NJUDGZUWQTURSA-CDHQVMDDSA-N 486.194 7.290 50 10 JKGE Brc1cc(OCc2ccccc2)ccc1[C@H](Br)[C@H]1CCn2ccnc2C1 2336080484 ZJKATVRYKOZXKV-HRAATJIYSA-N 476.212 5.923 50 10 JKGE Cc1cc(CCl)c(Oc2cc(Br)cc(I)c2)nc1C 2338713277 STNNNSQIAGMKJU-UHFFFAOYSA-N 452.517 5.597 50 10 JKGE CCC(F)(F)C[C@@H](Br)c1c(C)cc(Br)c(OC)c1Br 2339692552 ZKDYCQYNXBOQME-SECBINFHSA-N 464.970 6.400 50 10 JKGE Cc1cc(Cl)c(Cl)cc1[C@@H](Br)c1ccc(Cl)cc1I 2340067913 HPELIABOMLTRAI-AWEZNQCLSA-N 490.393 7.044 50 10 JKGE Cc1cnc(OCc2cc(I)ccc2Br)c(CBr)c1 2341780112 NKYKUQCDIUUFJN-UHFFFAOYSA-N 496.968 5.231 50 10 JKGE Clc1ccc(I)cc1CN1C[C@@H](Br)CCC12CCC2 2352427291 GFMGLUNAAIUXIM-LBPRGKRZSA-N 454.577 5.227 50 10 JKGE COc1cc(OC)cc([C@@H](Br)c2ccc(OCc3ccccc3)cc2Br)c1 2361193485 ACYAPEBLQDNGAY-JOCHJYFZSA-N 492.207 6.530 50 10 JKGE COc1cc(C[C@H](CBr)c2ccc(Br)cc2)c(Br)cn1 2362180437 RHXQUUAJSQAMEN-GFCCVEGCSA-N 463.995 5.336 50 10 JKGE CN(Cc1ccc(Cl)c(I)c1)C[C@@H](Br)C1CCCCC1 2362379467 MUTAKMBZTAQLEO-CQSZACIVSA-N 470.620 5.720 50 10 JKGE Cc1cc(Br)c([C@@H](Br)[C@@H]2CO[C@]3(C)C[C@H]2C3)c(C)c1Br 2362915974 KERJEXXNVYHGFY-XYPYXGAPSA-N 467.039 6.080 50 10 JKGE COc1c(F)c(F)cc([C@H](Br)c2sc(Cl)cc2I)c1F 2363889043 ZZDZNUNFFYUGDV-QMMMGPOBSA-N 497.501 5.916 50 10 JKGE COc1c(Br)cc(C)c([C@H](Br)[C@@H]2CCO[C@@H](C)C2)c1Br 2365192829 DTTUFWGBPLKAGF-OPQQBVKSSA-N 471.027 5.780 50 10 JKGE N#C/C(=C\c1ccc(-c2ccc(Cl)cc2[N+](=O)[O-])o1)C(=O)Nc1ccc(Br)cc1 33322405 DVQMEFMISQHUND-FMIVXFBMSA-N 472.682 5.816 50 10 JKGE COc1cc(/C=C(/C#N)c2cccc(Cl)c2)c(Br)cc1OCc1ccc(Cl)cc1 33702180 ZNZHTQGRNYGTAO-NVMNQCDNSA-N 489.196 7.408 50 10 JKGE CCCCOc1cccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4ccccc4OCCC)ccc32)c1 38685243 UTXXVGJFBFBYME-MUUNZHRXSA-N 498.579 6.092 50 10 JKGE CCCCCOc1ccccc1[C@H]1C(C#N)=C(N)Oc2cc(OC(=O)c3ccc(OCC)cc3)ccc21 38686087 XGRCEWCZNFSQOU-MUUNZHRXSA-N 498.579 6.092 50 10 JKGE CCCOc1ccc(/C=C(\C#N)C(=O)Nc2scc(-c3ccc(C)cc3C)c2C(=O)OCC)cc1 41013358 FVCKISZFQRHQMG-RCCKNPSSSA-N 488.609 6.543 50 10 JKGE C=CCc1cc(/C=N\NC(=O)CC[C@@H](O)c2ccccc2)ccc1OCc1ccc(Cl)cc1 58891724 FOVXRAKSJXMSRN-MAGAZJOKSA-N 462.977 5.611 50 10 JKGE CCOc1ccc([C@H](O)CCC(=O)N/N=C\c2ccc(OCc3cccc(F)c3)c(OCC)c2)cc1 58893314 DVIDHPMJAOZVCT-TZMKENEKSA-N 494.563 5.166 50 10 JKGE Cc1ccc(COc2ccc(Br)cc2/C=C(/C#N)C(=O)Nc2ccc(C)cc2C)cc1 59201831 DEXSJIILHWPVIV-XKZIYDEJSA-N 475.386 6.499 50 10 JKGE Cc1cc(Br)ccc1[C@@H](Br)c1cc(Cl)c(Br)cc1F 97895886 UKBHDFFJHMPZRW-CQSZACIVSA-N 471.389 6.797 50 10 JKGE N#C/C(=C\Nc1cccc(Cl)c1Cl)c1nc(-c2cc3cc([N+](=O)[O-])ccc3oc2=O)cs1 100480665 UWLSGTYTKJTSOB-FMIVXFBMSA-N 485.308 6.108 50 10 JKGE CC1=C(C#N)C(=O)N([C@H](C)c2ccccc2)C(=O)/C1=C/c1ccc(OCc2ccc(Cl)cc2)cc1 101337931 RLIAPTYYUFMIJF-RHKYMZEHSA-N 482.967 6.272 50 10 JKGE CC1=C(C#N)C(=O)N(C2CCCC2)C(=O)/C1=C/c1ccc(-c2ccc(Br)cc2)o1 101338728 IRRXWDLRNWQVDK-XDHOZWIPSA-N 451.320 5.244 50 10 JKGE CCCCOC(=O)c1ccc(-c2ccc(/C=C(/C#N)C(=O)Nc3nc4ccccc4s3)o2)cc1 102443554 YBPBZHJUTPSNDC-CYVLTUHYSA-N 471.538 6.059 50 10 JKGE O=C(Cl)c1cc(OCc2ccccc2)c(OCc2ccccc2)c(OCc2ccccc2)c1 113998482 JXIKAEINJOQILP-UHFFFAOYSA-N 458.941 6.803 50 10 JKGE COc1ccc([C@H](Br)c2c(F)cc(Br)cc2F)cc1Br 127638154 JNLZTNLUKGPCON-AWEZNQCLSA-N 470.933 5.983 50 10 JKGE Cc1cc(Br)c([C@H](Br)c2ccc(F)c(F)c2F)cc1Br 128770676 HZMAEEPDWKIGQZ-GFCCVEGCSA-N 472.924 6.422 50 10 JKGE Cc1cc(Br)c(S(=O)(=O)Nc2ccccc2CBr)cc1Br 136817225 XFLULUAXIKALJV-UHFFFAOYSA-N 498.034 5.216 50 10 JKGE CCOc1cc(/C=N\NC(=O)c2ccccc2N)ccc1OCc1ccc(Cl)c(Cl)c1 169893772 PQMXWHOKDYTVOC-WKIKZPBSSA-N 458.345 5.317 50 10 JKGE CC1=C(C#N)C(=O)N(CC(C)C)C(=O)/C1=C\c1cn(-c2ccccc2)nc1-c1ccc2c(c1)C[C@@H](C)O2 214271862 MWPAUWBUCRMVJE-LPANUZLBSA-N 492.579 5.111 50 10 JKGE Cc1ccc2nc(-c3ccc(N/C=C(/C#N)C(=O)Nc4c(C)cccc4C(C)C)cc3)sc2c1 217043709 INCMOEULZAOCHA-PGMHBOJBSA-N 466.610 7.162 50 10 JKGE Cc1ccc(Cl)cc1NC(=O)/C(C#N)=C\N1CCN(C(c2ccccc2)c2ccccc2)CC1 217212779 RZAFDNCYYWEMPK-GFMRDNFCSA-N 471.004 5.402 50 10 JKGE CCOc1ccc(NC(=O)/C(C#N)=C\Nc2ccc(-c3nc4ccc(C)cc4s3)cc2)cc1 217239738 WWKVWQTYUWIDBF-MNDPQUGUSA-N 454.555 6.129 50 10 JKGE CC(C)(C)[Si](C)(C)OCCNc1ccc2c(ccn2-c2ccccc2OCc2ccccc2)c1 217730025 XEKKEJDBPYVCOZ-UHFFFAOYSA-N 472.705 7.643 50 10 JKGE Fc1c(F)c(F)c([C@H](Br)c2cc(Br)c(Cl)s2)c(F)c1F 227845364 SETVHIWFUXRQNC-RXMQYKEDSA-N 456.455 6.344 50 10 JKGE CCOc1ccc([C@H](Br)c2cc(C)c(Br)s2)cc1Br 228994014 PXODEGJDVJEBKI-ZDUSSCGKSA-N 469.036 6.465 50 10 JKGE Clc1cccc(C[C@@H](Br)c2ccc(I)c(Cl)c2)c1 232386390 GQUCOODCSNECEC-GFCCVEGCSA-N 455.948 6.277 50 10 JKGE CCOc1ccc([C@H](Br)c2cc(Cl)cc(Br)c2)c(Br)c1 233790545 JYPCREGEKHBYPF-OAHLLOKOSA-N 483.425 6.748 50 10 JKGE COc1cc(Cl)c([C@H](Br)c2cc(Cl)cc(Br)c2)cc1Cl 234898677 YEHNQEIRBLQVCI-CQSZACIVSA-N 459.392 6.902 50 10 JKGE Clc1ccc([C@@H](Cl)c2cc(Br)ccc2I)c(Cl)c1 236041233 AQPUHQAIOKIIRJ-CYBMUJFWSA-N 476.366 6.689 50 10 JKGE CC(=NNC(=O)c1sc2cc(F)ccc2c1Cl)c1ccc(NC(=O)c2cccnc2)cc1 252592423 BFIRIZGYTUGNMS-UHFFFAOYSA-N 466.925 5.495 50 10 JKGE CC(=NNC(=O)c1c(-c2ccccc2)noc1C)c1ccc(NC(=O)c2ccccc2Cl)cc1 252610493 IBQMEXXETRCLSE-UHFFFAOYSA-N 472.932 5.710 50 10 JKGE Cc1ccc(-c2ccc(C=NNC(=O)CSc3nc4ccccc4s3)o2)c([N+](=O)[O-])c1 252628994 TWOMOFXAJYRZSA-UHFFFAOYSA-N 452.517 5.015 50 10 JKGE CCCCCC[C@H](C)O[C@](C)(CI)CN(CC)C(=O)OC(C)(C)C 303741848 QIJYFDRREACPAH-QFBILLFUSA-N 455.421 5.813 50 10 JKGE Clc1ccc(C[C@H](Br)c2sccc2I)cc1Cl 310340778 MOBHWHWFGJTNRG-QMMMGPOBSA-N 461.977 6.338 50 10 JKGE C[C@H](Cl)c1nc2cc(Br)c(F)cc2n1C(C)(C)CN(C)Cc1ccccc1 379632970 NGTOSULKWZRGAE-AWEZNQCLSA-N 452.799 6.105 50 10 JKGE CC[C@H](CC(F)(F)F)[C@H](Br)c1cc(I)cc2c1OCC2 402682598 ZXRXCSIFYFUEPD-PELKAZGASA-N 463.075 5.641 50 10 JKGE Cc1ccc([C@@H](Br)c2sccc2I)c(C)c1Br 719567328 PLHHJUGKWLXMTM-GFCCVEGCSA-N 486.010 6.216 50 10 JKGE COc1c(C)cc([C@H](Cl)c2ccc(I)c(Br)c2)cc1C 721573942 URXYAHRUPGDMNA-OAHLLOKOSA-N 465.556 6.007 50 10 JKGE Cc1cccc(Br)c1[C@@H](Br)c1sc(C)c(Br)c1C 724927001 DJDNCRWXMORKPO-CYBMUJFWSA-N 453.037 6.683 50 10 JKGE CCOc1ccc([C@H](O)CCC(=O)NN=Cc2cc(C)n(-c3ccccc3Cl)c2C)cc1 1084002731 PACPCNNYFZHLKG-XMMPIXPASA-N 453.970 5.110 50 10 JKGE Cc1cc(/C=C(\C#N)C(=O)NCCc2c[nH]c3ccccc23)c(C)n1-c1cccc(Br)c1 1084551684 ILCRWPLVZABUBW-FYJGNVAPSA-N 487.401 5.604 50 10 JKGE Cc1c(C(=O)Nc2ccccc2C(F)(F)F)oc2c1C(=NNC(=O)c1ccccc1F)CCC2 1772743821 JJSFMIKKXOIPMY-UHFFFAOYSA-N 473.426 5.469 50 10 JKGE Cc1ccc(C(=O)NN=C2CCCc3oc(C(=O)Nc4cc(Cl)cc(Cl)c4)c(C)c32)cc1 1772744362 CGRXKZJLUYQGQV-UHFFFAOYSA-N 470.356 5.926 50 10 JKGE CCc1nn(-c2ccc(Br)cc2)c2c1[C@H](c1cccc3ccccc13)C(C#N)=C(N)O2 1865682062 DXAQDFGZWOTCDF-JOCHJYFZSA-N 471.358 5.569 50 10 JKGE COc1ccc(-n2nc(-c3ccccc3)c3c2OC(N)=C(C#N)[C@@H]3c2ccc(C(C)(C)C)cc2)cc1 1865682663 UYEAQEPTJVLGGL-VWLOTQADSA-N 476.580 6.064 50 10 JKGE COc1ccc(-c2nn(-c3cccc(Cl)c3)c3c2[C@H](c2cc(C)ccc2O)C(C#N)=C(N)O3)cc1 1865687596 VQFQZEDDVRHEDY-HSZRJFAPSA-N 484.943 5.434 50 10 JKGE CCCCOc1ccc([C@@H]2C(C#N)=C(N)Oc3c2c(C(F)(F)F)nn3Cc2ccc(C)cc2)cc1 1865689915 GJDGLWAJDHNAAF-OAQYLSRUSA-N 482.506 5.656 50 10 JKGE C=CCOc1ccccc1[C@@H]1C(C#N)=C(N)Oc2c1c(C(F)(F)F)nn2Cc1ccc(C)cc1 1865691137 KHLYWTYORJUOJV-HXUWFJFHSA-N 466.463 5.042 50 10 JKGE COc1ccc(OC)c([C@@H]2C(C#N)=C(N)Oc3c2c(-c2ccccc2)nn3Cc2ccccc2Cl)c1 1865691963 GGPKYZGBPLMSMA-XMMPIXPASA-N 498.970 5.487 50 10 JKGE CCc1nc(Nc2ccc(SC#N)cc2)cc(N2CC(=O)N3CC(C)(C)c4ccccc4[C@H]3C2)n1 1868277887 LOZNAQZSXPJVJW-JOCHJYFZSA-N 484.629 5.037 50 10 JKGE COCCN1[C@@H](C)CN(c2cc(Nc3ccc(SC#N)cc3)nc(-c3ccc(F)cc3)n2)C[C@H]1C 1868456433 OMURLIODHRFQDJ-KDURUIRLSA-N 492.624 5.145 50 10 JKGE COc1ccccc1[C@H]1c2ccccc2CCN1c1cc(Nc2ccc(SC#N)cc2)nc(C)n1 1868479874 CKZXSGLRIGXOEO-MUUNZHRXSA-N 479.609 6.263 50 10 JKGE N#C/C(=C(/O)c1ccc2c(c1)C(=O)N(Cc1ccccc1)C2=O)c1nc(-c2ccccc2Cl)cs1 1872746775 XPSOEZSHIZUDEA-FLFQWRMESA-N 497.963 6.210 50 10 JKGE COc1cc(Cl)c(C)cc1-c1csc(/C(C#N)=C(\O)Cc2ccc(Cl)c(Cl)c2)n1 1872755300 HOEVQROPLFSNPN-RGEXLXHISA-N 465.789 7.123 50 10 JKGE Cc1ccc(-c2csc(/C(C#N)=C(\O)c3cc(C(F)(F)F)cc(C(F)(F)F)c3)n2)cc1C 1872756362 ISDKOWFLLMRMKH-ZPHPHTNESA-N 468.422 7.414 50 10 JKGE COc1cc(OC)c(-c2csc(/C(C#N)=C(O)/C=C/c3ccc(C(C)(C)C)cc3)n2)cc1Cl 1872756663 UWHVCEYDHFZWHI-HAQDLIPBSA-N 481.017 7.284 50 10 JKGE CC[C@@H](C)N1C(=O)c2ccc(/C(O)=C(\C#N)c3nc(-c4ccc(OC)c(Cl)c4)cs3)cc2C1=O 1872757591 MYOLOKYOLVROEG-LKOLJXARSA-N 493.972 5.816 50 10 JKGE COc1ccc(-c2csc(/C(C#N)=C/c3ccc(OCCc4ccccc4)c(OC)c3)n2)cc1 1872780584 FBCGBQXUDQPFPX-XQNSMLJCSA-N 468.578 6.513 50 10 JKGE C[C@H](Cl)CN(Cc1ccccc1)Cc1ccc(I)c(Br)c1 1893240879 ADOHLFWQOKLPNT-ZDUSSCGKSA-N 478.599 5.683 50 10 JKGE C[C@@H]1C[C@H]1[C@@H](Br)c1c(Br)sc(Br)c1Br 1897867655 DYYHSGDMMNENJJ-ZMIZWQJLSA-N 467.846 6.128 50 10 JKGE CC[C@H](Cl)CN(Cc1ccccc1)c1ncc(C(F)(F)F)cc1I 1915087696 ZJTKOGXBJSYWEW-AWEZNQCLSA-N 468.688 5.729 50 10 JKGE Cc1c(Br)sc([C@@H](Cl)Cc2ccccc2Br)c1Br 1922883030 NWMUBOKXTCCZIZ-JTQLQIEISA-N 473.455 6.867 50 10 JKGE Cc1c(Br)sc([C@H](Br)C2(C(C)(F)F)CC2)c1Br 1922907920 ZSHAVRXDIFLAHI-QMMMGPOBSA-N 452.984 6.453 50 10 JKGE Cc1c(Br)sc([C@@H](Br)C(F)(F)CC2CC2)c1Br 1922932142 JAQIZLVXIDLJTC-SECBINFHSA-N 452.984 6.453 50 10 JKGE Cc1ccc([C@H](Br)c2c(Br)sc(Br)c2Cl)cc1Cl 1923054505 GLAYOCNZJNMEKJ-VIFPVBQESA-N 493.873 7.373 50 10 JKGE Clc1c(Br)sc(Br)c1[C@@H](Cl)c1ccsc1Br 1923066948 WZWSQQYOYJSXHM-YFKPBYRVSA-N 485.875 7.079 50 10 JKGE Cc1cc(Br)c([C@H](Br)[C@@H](C)C2CCCCC2)cc1Br 1923886660 JROXGWBGGHLBHS-MEDUHNTESA-N 453.056 7.172 50 10 JKGE FC(F)COCC[C@H](Cl)c1c(Br)sc(Br)c1Br 1924583800 PAJXBRSECCEUDE-BYPYZUCNSA-N 477.390 5.987 50 10 JKGE Cl[C@@H](c1c(Br)sc(Br)c1Br)[C@@H]1C[C@@H]2O[C@H]1[C@H]1C[C@@H]21 1924612743 DHEZAVMOAVTJSO-UVYZJWAUSA-N 477.443 5.739 50 10 JKGE CCCOc1cccc([C@@H](Br)c2c(Cl)sc(Br)c2Cl)c1 1925597338 CYYAAQZQNDEAGZ-LLVKDONJSA-N 459.030 7.091 50 10 JKGE CCN(CCCOCc1ccccc1)c1c(CBr)ccc(Br)c1Cl 1948741422 VOVQJGIFWPJSMG-UHFFFAOYSA-N 475.652 6.431 50 10 JKGE Cc1nc([C@@H](Cl)c2ccc(Br)cc2Br)c(Br)s1 2024283757 SFNWELHBYKZJJG-VIFPVBQESA-N 460.416 6.067 50 10 JKGE Cc1cc([C@H](Br)c2csc(Br)c2Br)c(C)cc1F 2032958998 QMGFLOOCTKSPJQ-NSHDSACASA-N 457.000 6.513 50 10 JKGE COC1CC2(C1)CC([C@H](Br)c1cc(Br)sc1Br)C2 2038903420 LTMWXXUZUZYUMD-HRQJNHKQSA-N 459.041 5.914 50 10 JKGE Clc1c(Br)sc(Br)c1[C@H](Br)CC12CCC(CC1)C2 2039380499 JATVVSIJMJFJCU-LPATWVRLSA-N 477.487 7.333 50 10 JKGE Cc1c(Br)sc([C@H](Br)[C@H]2[C@H]3CCCCC[C@H]32)c1Br 2048336292 DWBGHWQGZBIOFY-DTHBNOIPSA-N 457.069 6.844 50 10 JKGE C[C@]1([C@@H](Br)c2sc(Br)cc2Br)CCCCC1(F)F 2048973273 GBPUMSPQKVYAFO-WDEREUQCSA-N 467.011 6.925 50 10 JKGE COc1c(Cl)cc(Br)cc1[C@H](Br)c1ccc(Br)o1 2082857856 AQLXAWWXSMYOAJ-NSHDSACASA-N 459.359 5.951 50 10 JKGE Cc1cc(Br)ccc1S(=O)(=O)N(Cc1ccccc1)C1(CBr)CCC1 2085730533 IZWRYSGKAYCHQD-UHFFFAOYSA-N 487.257 5.266 50 10 JKGE COc1c(C)cc(Br)c(C)c1[C@@H](Br)c1cscc1OCc1ccccc1 2100091778 LUYZEQGWSKVCOV-FQEVSTJZSA-N 496.264 7.199 50 10 JKGE C[C@H](Cl)c1nc2cc(Br)c(Cl)cc2n1[C@H]1CC[C@H]1OCc1ccccc1 2103806917 FCDNPWDDRGYSSS-OYYNGEPBSA-N 454.195 6.672 50 10 JKGE Clc1ccc(I)c(C[C@]2(CBr)CCCC23CCC3)c1 2117002086 VIWMDVRDEGZLLI-INIZCTEOSA-N 453.589 6.223 50 10 JKGE BrC[C@@]1(Cc2cccc(Br)c2Br)CCCCC12CC2 2117002954 CBSUINCKSANXQT-INIZCTEOSA-N 451.040 6.490 50 10 JKGE CCn1cc(Br)c([C@@H](Br)c2cc(C3CC3)c(Br)s2)n1 2124772398 UTMBMKRNVRZQHR-NSHDSACASA-N 469.040 5.851 50 10 JKGE FC(F)(C1CCOCC1)[C@H](Br)c1cc(Br)ccc1Br 2128895805 JQUPYMFNONVSQY-GFCCVEGCSA-N 462.954 5.710 50 10 JKGE Cc1cc(Br)c([C@@H](Cl)c2c(C)nn(C)c2Br)cc1Br 2129264876 GDUBFWMDRDNVTR-GFCCVEGCSA-N 471.418 5.653 50 10 JKGE COC[C@@H](C)CCC(CBr)(CBr)c1ccc(Br)cc1 2130999137 PWSNTCFUILEFSD-LBPRGKRZSA-N 457.044 5.539 50 10 JKGE C[C@@H](Cl)C[C@@H]1CCCCCN1c1ncc(I)cc1Br 2133372170 MKXVBYUJWGYIPA-PWSUYJOCSA-N 457.581 5.215 50 10 JKGE Cc1cc(Br)c(C)c([C@H](Cl)c2ccc(OCc3ccccc3)cc2)c1Br 2136379897 OZCGISTXPOETMI-JOCHJYFZSA-N 494.654 7.736 50 10 JKGE COc1cc(F)c(F)cc1[C@@H](Br)c1scc(Br)c1Br 2139643056 MPEPOWHXPMGZFU-SNVBAGLBSA-N 476.962 6.044 50 10 JKGE O=C(NC[C@H]1CCC[C@@H](CBr)C1)c1c(Br)cccc1Br 2150489335 BJJVINAWNXZQQS-MNOVXSKESA-N 468.027 5.143 50 10 JKGE C[C@@H]1Cc2cc([C@@H](Br)c3cc(Cl)c(Cl)s3)cc(Br)c2O1 2156056302 XBBODZAWCMYMBZ-SREIQFSDSA-N 457.014 6.625 50 10 JKGE Cc1sc(Br)c([C@@H](Cl)c2cc(Cl)c(Cl)c(Cl)c2Cl)c1C 2157254014 BINZTOLKDBALDU-VIFPVBQESA-N 453.443 8.069 50 10 JKGE O=C(NC[C@H]1CCCC[C@@H](Br)C1)c1ccc(I)c(Cl)c1 2163746377 ROPTXFPEAMRNRB-CMPLNLGQSA-N 470.576 5.018 50 10 JKGE ClCc1cc(Cl)cc(Br)c1OCc1ncc(Br)cc1Cl 2183582349 XVPFMCPALICHSB-UHFFFAOYSA-N 460.380 6.231 50 10 JKGE Cc1cc(Br)c(C)c([C@H](Cl)c2c(Br)c(C)nn2C)c1Br 2201080773 ZWYMAXBBJQUIEQ-ZDUSSCGKSA-N 485.445 5.961 50 10 JKGE CCCCC1CCC([C@H](Br)c2ccc(Br)cc2Br)CC1 2203684419 GYTDDHPNKCHSST-FVKWTLKZSA-N 467.083 7.644 50 10 JKGE ClCc1nc2cc(Br)c(Br)cc2n1CC1CN(Cc2ccccc2)C1 2218648388 KFJUPZNOFGDJEK-UHFFFAOYSA-N 483.635 5.432 50 10 JKGE CCn1cc([C@@H](Br)c2c(C)sc(Br)c2C)nc1Br 2218806871 ZAPFHWMUBPRWPJ-SNVBAGLBSA-N 457.029 5.591 50 10 JKGE Cc1cc(Br)c([C@@H](Br)C2(C(C)(F)F)CC2)c(C)c1Br 2227360324 RFNYADVHLHASMA-GFCCVEGCSA-N 460.982 6.700 50 10 JKGE COc1cc(Br)c([C@@H](Br)c2ccccc2OCc2ccccc2)cc1C 2227728549 WESWTVBLXQAQCQ-QFIPXVFZSA-N 476.208 6.829 50 10 JKGE Fc1cc(F)c([C@H](Cl)c2ccc(Br)cc2Br)c(F)c1Br 2236101762 COPCJCLZRWYDSH-GFCCVEGCSA-N 493.342 6.720 50 10 JKGE Fc1ccc([C@@H](Br)c2c(F)cc(F)c(Br)c2F)cc1Br 2236105981 BTANGPCJBUIFGI-LLVKDONJSA-N 476.887 6.252 50 10 JKGE Cc1cccc(Br)c1[C@H](Br)c1ccc2c(c1Br)CCO2 2238075800 FFQWHJFNZVAVOP-MRXNPFEDSA-N 460.991 5.939 50 10 JKGE Cc1nn(C)c([C@H](Br)c2c(Br)cc(Cl)c(Cl)c2Cl)c1Cl 2240928852 SAPAFCNCHXGSNP-MRVPVSSYSA-N 481.830 6.589 50 10 JKGE Cc1sc([C@H](Cl)Cc2ccccc2I)c(Br)c1C 2253471001 IDBGXTHWAHLARN-LLVKDONJSA-N 455.586 6.255 50 10 JKGE C[C@@H](Br)CN(Cc1cc(Br)ccc1Br)CC(C)(C)C 2272517875 JVCRSEVYMXUBAW-LLVKDONJSA-N 456.060 5.843 50 10 JKGE C[C@@H](C1CCCC1)[C@H](Br)c1c(F)cc(Br)c(F)c1Br 2272843734 UMMFWKZUDXSKSU-MADCSZMMSA-N 460.982 6.752 50 10 JKGE Fc1cc(Br)c(F)c(Br)c1[C@@H](Br)[C@H]1[C@H]2[C@H]3C[C@@H]1C[C@H]32 2272848335 UZOWMMGMHSMECR-SFEUVAISSA-N 456.950 5.828 50 10 JKGE Cc1cc(Br)c([C@H](Br)[C@]23CCC[C@H]2CC3)c(C)c1Br 2273374252 ZVZRWOUYYPAMMU-UVBJJODRSA-N 451.040 6.845 50 10 JKGE CC(C)(C)CCN(CCBr)C(=O)c1csc(Br)c1Br 2274151532 YVHXQPKCCHXTKF-UHFFFAOYSA-N 476.072 5.546 50 10 JKGE Brc1cc(Br)cc(C[C@@H](Br)[C@H]2CCCC3(CC3)C2)c1 2277958897 MEOUOIJZVZWSNQ-SWLSCSKDSA-N 451.040 6.488 50 10 JKGE COc1cc(C)c([C@H](Br)c2cc(Br)sc2Br)c(OC)c1 2287085639 SIYYUSCWNCIKTF-CYBMUJFWSA-N 485.035 6.083 50 10 JKGE N#CC(=Cc1ccccc1OCc1c(F)cccc1Cl)C(=O)Nc1ccccc1C(=O)O 2293763552 GRBIONPXZKYSME-UHFFFAOYSA-N 450.853 5.302 50 10 JKGE O=C(C=Cc1ccco1)Oc1ccc(Br)cc1C=NNC(=O)c1ccc(Cl)cc1 2294323095 UDOUKJJQXPXZAS-UHFFFAOYSA-N 473.710 5.078 50 10 JKGE CCOC(=O)c1c(NC=C(C#N)c2nc(-c3ccc(Cl)cc3)cs2)sc2c1CCCC2 2296042424 WUESHSCOJWYJNK-UHFFFAOYSA-N 470.019 6.557 50 10 JKGE CC(C)(C)c1ccc(Oc2nc3ccccn3c(=O)c2C=C(C#N)C(=O)NC2CCCCC2)cc1 2296543500 IIJSTXYGZXNMDN-UHFFFAOYSA-N 470.573 5.140 50 10 JKGE CCN1CC(=Cc2ccc(SC)cc2)C2=C(C1)[C@@H](c1ccc(SC)cc1)C(C#N)=C(N)O2 2296652061 PVCDLYMFCPBXAU-DEOSSOPVSA-N 461.656 5.611 50 10 JKGE N#CC(=Cc1ccc(OCc2ccccc2)cc1)C(=O)Nc1ncc(Cc2ccc(F)cc2)s1 2296833203 MAEWCSBVPWARCE-UHFFFAOYSA-N 469.541 5.998 50 10 JKGE Cc1ccc(N2C(=O)[C@H](Cc3ccc(F)cc3)SC2=C(C#N)C(=O)Nc2ccc(Cl)cc2)cc1 2296834952 FWRNHZYVDYRWPT-QHCPKHFHSA-N 491.975 5.853 50 10 JKGE Cc1ccccc1N1CCN(C(=O)C(C#N)=C2SC=C(c3ccccc3)N2c2ccccc2)CC1 2297460053 BBENGKATONGFKP-UHFFFAOYSA-N 478.621 5.631 50 10 JKGE Cc1ccc(C[C@H]2SC(=C(C#N)C(=O)Nc3ccc(F)cc3)N(c3ccc(C)cc3)C2=O)cc1 2297468270 RBYJHADLRRXOCC-XMMPIXPASA-N 471.557 5.508 50 10 JKGE COc1cc(C=C(C#N)C(=O)Nc2nc3ccccc3s2)cc(Cl)c1OCc1ccccc1F 2297500387 QPZZDAQKSVUDMM-UHFFFAOYSA-N 493.947 6.222 50 10 JKGE N#CC(=Cc1ccc(OC(=O)c2ccc(Br)cc2)cc1)C(=O)Nc1cccc(Cl)c1 2297624537 OQVPECZUBFLLBY-UHFFFAOYSA-N 481.733 5.867 50 10 JKGE CC1(C[C@H](Br)c2cc(Br)ccc2OCc2ccccc2)CCCC1 2299488752 JLPJNOZYPNIJLY-IBGZPJMESA-N 452.230 7.435 50 10 JKGE CC(C)C1([C@@H](Br)c2cc(Br)ccc2OCc2ccccc2)CCC1 2299495160 KLVVIRWFOFFAQO-FQEVSTJZSA-N 452.230 7.290 50 10 JKGE CCc1ccc([C@H](Br)c2cc(Br)ccc2OCc2ccccc2)cc1 2314503179 PPGPWZPLPQSLFH-QFIPXVFZSA-N 460.209 7.075 50 10 JKGE N#CC1=C(N)Oc2cc(OC(=O)C=Cc3ccccc3)ccc2[C@H]1c1ccc(Br)cc1 2314634148 RDMDEUQWLIIROL-XMMPIXPASA-N 473.326 5.286 50 10 JKGE CCOC(=O)C(C#N)=Cc1ccc(OC(=O)COc2ccc(-c3ccc(C)cc3)cc2)c(OC)c1 2314737760 QPEBVEXOTHWCEM-UHFFFAOYSA-N 471.509 5.125 50 10 JKGE Fc1cc(Cl)c([C@H](Cl)c2sc(Cl)cc2I)c(Cl)c1 2318359073 ZTXJGGDQKPDQGR-JTQLQIEISA-N 455.934 6.780 50 10 JKGE COC(=O)c1ccc2c(O)nc(C(C#N)=Cc3ccc(OCc4ccccc4Cl)cc3)nc2c1 2331046336 GONXYIFMUZUZFX-UHFFFAOYSA-N 471.900 5.419 50 10 JKGE COCCCN1C(=O)c2ccc(C(O)=C(C#N)c3nc(-c4cc(C)ccc4C)cs3)cc2C1=O 2331319375 MPVLTFYGJSQAAS-UHFFFAOYSA-N 473.554 5.009 50 10 JKGE COc1cc(OC)c(-c2csc(C(C#N)=C(O)c3cc(Cl)ccc3Cl)n2)cc1Cl 2331381161 QNFXDYAYDPURLW-UHFFFAOYSA-N 467.761 6.737 50 10 JKGE COc1cc(C(O)=C(C#N)c2nc(-c3cc(Cl)cc(C)c3OC)cs2)cc(OC)c1OC 2331391802 GQWNIKTZNNENMB-UHFFFAOYSA-N 472.950 5.756 50 10 JKGE COc1c(C)cc(Cl)cc1-c1csc(C(C#N)=C(O)C=Cc2ccc3c(c2)OCCO3)n1 2331391813 IOGCFAWSVPLRAR-UHFFFAOYSA-N 466.946 6.058 50 10 JKGE CCCOc1ccc(-c2csc(C(C#N)=Cc3ccc(OC)c(O)c3)n2)cc1OCCC 2331437764 MLYMXGSRGMXBKY-UHFFFAOYSA-N 450.560 6.166 50 10 JKGE Fc1cc(Br)c(Br)cc1[C@H](Br)[C@H]1CC[C@@H]2[C@H]1C2(F)F 2333605818 YYCPBWVOSDOIDX-LUFUHMSCSA-N 462.929 6.078 50 10 JKGE Cc1csc([C@@H](Br)c2c(F)cc(Cl)c(Br)c2Cl)c1Cl 2335368398 GCPHKBVBTPYADP-VIFPVBQESA-N 467.412 7.403 50 10 JKGE CC12CC(C1)[C@@H]([C@H](Br)c1cc(Br)c(Br)cc1F)CO2 2337678932 FHRWLYWFKZFZEI-VYZWKLDASA-N 456.975 5.602 50 10 JKGE Cn1nc(Br)c(Br)c1[C@H](Br)c1ccc(CC2CC2)s1 2338859984 ISTXTSGVSSUOSO-SNVBAGLBSA-N 469.040 5.443 50 10 JKGE Clc1cc(Cl)cc(C[C@H](Br)c2ccc(Cl)cc2I)c1 2340059732 XKBAUYQRIJKIDA-ZDUSSCGKSA-N 490.393 6.930 50 10 JKGE Cc1c(F)ccc([C@H](Br)c2ccc(Cl)cc2I)c1C 2340064669 HFTFOZJDIZXNHM-HNNXBMFYSA-N 453.520 6.185 50 10 JKGE Clc1ccc(CN2CC3(CBr)CCC2CC3)c(I)c1 2341014432 YFEVEMGXBVZSOX-UHFFFAOYSA-N 454.577 5.084 50 10 JKGE COc1c(F)c(F)cc([C@@H](Br)c2cc(Br)sc2Br)c1F 2361159108 IITXWTTUPDOYGM-MRVPVSSYSA-N 494.952 6.183 50 10 JKGE COc1c(Br)cc(C)c([C@H](Br)CC2(C)CCCC2)c1Br 2365193872 LQUZQUYBWGEPFT-GFCCVEGCSA-N 469.055 6.935 50 10 JKGE N#C/C(=C/c1cccc(OC(=O)c2cccc3ccccc23)c1)C(=O)Nc1cc(Cl)cc(Cl)c1 3232177 TXQMJSPVMQHMHO-ODLFYWEKSA-N 487.342 6.911 50 10 JKGE CCc1cccc(C)c1N/C(SCc1ccccc1F)=C(/C#N)S(=O)(=O)c1ccccc1 20325580 ZUUPGLGZAXJBAQ-WJTDDFOZSA-N 466.603 6.208 50 10 JKGE CCOc1cc(/C=N/NC(=O)c2ccc(NC(=O)C(C)C)cc2)ccc1OC(=O)/C=C/c1ccccc1 33720703 MSGGVFYKYQARIE-AXGUISOBSA-N 499.567 5.063 50 10 JKGE CC(C)(C)c1ccc([C@@H]2C[C@@H]2C(=O)N/N=C/c2ccc(OC(=O)c3ccc4c(c3)OCO4)cc2)cc1 34388602 JJDFFVSWPGTKHO-MGPSXDGLSA-N 484.552 5.186 50 10 JKGE C=CCOc1ccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4ccc(Cl)cc4Cl)ccc32)cc1 38658087 QVRWPKCRFQIENM-DEOSSOPVSA-N 493.346 5.996 50 10 JKGE CCCOc1cccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)COc4ccc(C(C)C)cc4)ccc32)c1 38684486 DOTUACKSDZNUDN-LJAQVGFWSA-N 498.579 5.801 50 10 JKGE CCCCOc1ccc(C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@@H]3c2ccc(OCC)cc2)cc1 38685826 OGNCQUFONZGFKM-HHHXNRCGSA-N 484.552 5.702 50 10 JKGE CCc1ccc2oc(C(=O)Oc3ccc4c(c3)OC(N)=C(C#N)[C@H]4c3ccc(F)cc3)c(C)c2c1 38688078 YERLJOPPSXXYOL-VWLOTQADSA-N 468.484 5.880 50 10 JKGE CCCCOc1cccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)COc4ccccc4C)ccc32)c1 40530231 HZTFETFUQLIFNN-MUUNZHRXSA-N 484.552 5.377 50 10 JKGE Cc1c(C(=O)Nc2ccc(Cl)c(Cl)c2)oc2c1/C(=N/NC(=O)c1ccccc1F)CCC2 40812378 FUWSRKVAFSFLQW-MTDXEUNCSA-N 474.319 5.757 50 10 JKGE CCCCCCOc1ccc(/C=N/NC(=O)CSc2nc(-c3ccccc3)cs2)cc1 40924485 VABUVTLUHINNOL-PCLIKHOPSA-N 453.633 6.012 50 10 JKGE C=CCc1cc(/C=N\NC(=O)CC[C@@H](O)c2ccccc2)cc(OCC)c1OCc1cccc(F)c1 58892229 CVJTZTYCPBDNTE-LLLIGWKVSA-N 490.575 5.496 50 10 JKGE CCCCCCCCCCCCCCCCCCN(C)C(=O)N[C@H]1CS(=O)(=O)C[C@H]1Cl 59568722 XEPFFFRGABTBGA-PKTZIBPZSA-N 479.171 6.294 50 10 JKGE COc1ccc(C[C@H](CBr)Cc2ccccc2Br)cc1Br 97185853 XQWAXJHQUJUCMP-ZDUSSCGKSA-N 477.034 6.017 50 10 JKGE CC1CCC(NC(=O)[C@@H](c2ccc(Cl)cc2)N(Cc2cccs2)C(=O)CCl)CC1 97914745 OWAUFOSVWFYIAX-ZYKWQNGHSA-N 453.435 5.405 50 10 JKGE Cc1cc(C)cc(Pc2cc3ccc2CCc2ccc(c(Pc4cc(C)cc(C)c4)c2)CC3)c1 101056237 QFENEQZKUZJNJT-UHFFFAOYSA-N 480.572 6.063 50 10 JKGE CC[C@@H](C)N1C(=O)C(C#N)=C(C)/C(=C\c2cn(-c3ccccc3)nc2-c2cc(C)ccc2C)C1=O 101334162 LMFUUZCTWFAWKC-PXMCARDJSA-N 464.569 5.547 50 10 JKGE CCCCOc1ccc(-c2nn(-c3ccccc3)cc2/C=C(/C#N)C(=O)NCc2cccnc2)c(C)c1 102835775 JVSNVELTHFYYDU-ULJHMMPZSA-N 491.595 5.645 50 10 JKGE COc1cc(Br)c([C@@H](Cl)c2ccc(Br)cc2Cl)cc1OC 109817172 MOMKVBJIVPKQTK-HNNXBMFYSA-N 454.973 6.210 50 10 JKGE Brc1ccc(Br)c([C@@H](Br)[C@H]2CCOc3ccccc32)c1 111187711 XDSZNBCPUUXSOZ-LRDDRELGSA-N 460.991 6.214 50 10 JKGE COc1cc(Br)ccc1[C@H](Br)c1cc(C)c(Br)s1 135309279 GHFMZQQSCOLPLW-LBPRGKRZSA-N 455.009 6.074 50 10 JKGE COc1ccc(Br)cc1[C@@H](Cl)c1cc(Br)ccc1Br 161059263 DZQSCOXLOPORFM-AWEZNQCLSA-N 469.398 6.311 50 10 JKGE CCCOc1ccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)/C=C\c4ccccc4)ccc32)cc1OCC 205656475 GBRBHOVCSDUXET-VDFQKTSZSA-N 496.563 5.711 50 10 JKGE CCOc1ccccc1NC(=O)/C(C#N)=C\c1ccc(OC(F)(F)[C@@H](F)C(F)(F)F)cc1 210003644 KCCXGKIYLPLSSJ-RNUYOQPASA-N 458.358 5.503 50 10 JKGE C=CCOc1ccc(-c2nn(-c3ccccc3)cc2/C=C2\C(=O)N(CCC)C(=O)C(C#N)=C2C)cc1C 214216851 KBCAFBLMMWAHHT-UQQQWYQISA-N 492.579 5.415 50 10 JKGE COc1ccc([C@@H](Br)c2ccc(I)c(Cl)c2)c(C)c1 232342831 HJSNEXYLHKFFJA-HNNXBMFYSA-N 451.529 5.746 50 10 JKGE CCCCCCCCCOc1c(Br)cc(CBr)cc1Br 232952592 XJDTUNOLPCQNAN-UHFFFAOYSA-N 471.071 7.236 50 10 JKGE COc1ccc([C@H](Br)c2cc(Cl)ccc2I)c(Cl)c1 234994173 UBVRITYSJOAZFA-AWEZNQCLSA-N 471.947 6.091 50 10 JKGE Cc1cc([C@@H](Br)c2ccc(Cl)c(Br)c2)sc1Br 235864575 AFXDYBCAYICTGL-NSHDSACASA-N 459.428 6.719 50 10 JKGE COc1cc(C=NNC(=O)c2ccc(Cl)cc2)ccc1OC(=O)c1sc2ccccc2c1Cl 252617519 KURSHLMYTDAUES-UHFFFAOYSA-N 499.375 6.200 50 10 JKGE O=C(Cc1ccccc1)Nc1cccc(C(=O)NN=Cc2ccccc2OCc2ccccc2)c1 254622961 NSIJOSRJFALDTF-UHFFFAOYSA-N 463.537 5.211 50 10 JKGE C/C(C=NNC(=O)CSc1nnc(-c2ccc(C)cc2)n1C1CCCCC1)=C/c1ccco1 254849827 XZFIRZGVKIOOHL-VSRQWITRSA-N 463.607 5.649 50 10 JKGE COc1ccc([C@H]2CC(c3ccccc3)=NN2c2ccc(C=NNC(=O)c3cccnc3)cc2)cc1 254874820 MDMKDMDMGVTKQP-MUUNZHRXSA-N 475.552 5.210 50 10 JKGE Cc1c(C(=O)Nc2ccc(N=Nc3ccccc3)cc2)oc2c1/C(=N/NC(=O)c1cccs1)CCC2 256018185 FBXFXEFSECCXDW-VIIQZMIBSA-N 497.580 6.788 50 10 JKGE C[C@H](Cl)c1nc2cc(I)ccc2n1[C@H]1CCN(Cc2ccccc2)[C@H]1C 311804672 FLZZVWVYNHHPHS-DOXZYTNZSA-N 479.793 5.776 50 10 JKGE C[C@H](Br)C[C@H]1CCCCN1C(=O)c1cc(Br)cc(Br)c1 312938878 HETMQWZMPFETLQ-IINYFYTJSA-N 468.027 5.380 50 10 JKGE Cc1oc(Br)cc1[C@@H](Br)c1cc(Br)ccc1Br 396538342 JZBODCIRNLWCEG-GFCCVEGCSA-N 487.811 6.360 50 10 JKGE Fc1ccc([C@H](Br)c2cc(Cl)c(Cl)c(Cl)c2Cl)cc1Br 404645312 GEGZOVZKZMWAAS-JTQLQIEISA-N 481.801 7.686 50 10 JKGE C[C@H](Cl)c1nc2ccc(F)c(Br)c2n1[C@H]1CCN(Cc2ccccc2)[C@H]1C 689773277 GAHSEYQGVGWISV-DEYYWGMASA-N 450.783 6.073 50 10 JKGE C[C@@H](Cl)c1nc2ccc(F)c(Br)c2n1C[C@@H]1CCN(Cc2ccccc2)C1 689775965 SYZCKSQOQGETMP-GDBMZVCRSA-N 450.783 5.760 50 10 JKGE FC(F)(F)c1cc([C@H](Br)c2cc(Br)c(Br)s2)cs1 718832258 QGWHFCJGADNJBF-QMMMGPOBSA-N 484.982 6.838 50 10 JKGE C[C@H](Cl)C[C@H]1CCCCN1C(=O)c1ccc(I)c(Br)c1 721571745 JALBHDLNESJCOC-CMPLNLGQSA-N 470.576 5.066 50 10 JKGE CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(C)cc2)cc(Cl)c1OCc1ccc2c(c1)OCO2 1083968574 BTSRELVDHLTPPA-KEBDBYFISA-N 490.943 5.901 50 10 JKGE CCOc1cc(C=NNC(=O)CSCc2ccc(C)cc2)ccc1OCc1ccc(Cl)cc1 1084430103 NSPYZZRTASFQAF-UHFFFAOYSA-N 483.033 6.010 50 10 JKGE CC(C)(C)N(NC(=O)Nc1cc(F)c(F)c(F)c1F)C(=O)c1cc(Cl)cc(Cl)c1 1088717603 FGHYTAVBFWJYAQ-UHFFFAOYSA-N 452.235 5.527 50 10 JKGE FC(F)(F)c1cc(-c2cc(CCl)n(-c3cc(Cl)cc(Cl)c3)n2)cc(C(F)(F)F)c1 1614818525 MHFGGXIUYGXABE-UHFFFAOYSA-N 473.631 7.623 50 10 JKGE O=C(CSc1nc(-c2ccc(Cl)cc2)cs1)NN=Cc1ccc(Br)o1 1772755267 YCGMWJPPIRXUDB-UHFFFAOYSA-N 456.774 5.061 50 10 JKGE CCCOc1ccccc1[C@H]1C(C#N)=C(N)Oc2c1c(C(F)(F)F)nn2Cc1cccc(F)c1 1865702922 IGZUFFWYTXJAOE-IBGZPJMESA-N 472.442 5.096 50 10 JKGE Cc1cccc(C(=O)c2cc(C#N)ccc2NC(=O)/C(C#N)=C/c2ccc(Br)cc2)c1 1866128883 QVAUKHZSKUZYLS-UDWIEESQSA-N 470.326 5.406 50 10 JKGE N#CSc1ccc(NC(=O)[C@@H](NC(=O)c2nc(C(F)(F)F)n3ccccc23)c2ccccc2)cc1 1867286722 HOCHPBGLSBKEKX-IBGZPJMESA-N 495.486 5.036 50 10 JKGE CC(C)Oc1ccc(C/C(O)=C(\C#N)c2nc(-c3ccc(Br)cc3)cs2)cc1 1872746362 DMTZQGVEQFVMGD-VZCXRCSSSA-N 455.377 6.395 50 10 JKGE COc1ccc(/C=C/C(O)=C(\C#N)c2nc(-c3cc(Cl)cc(Cl)c3OC)cs2)cc1 1872754195 HWYPMCSYUGJDBD-UQIPZTAISA-N 459.354 6.640 50 10 JKGE COc1cc(Cl)c(C)cc1-c1csc(/C(C#N)=C(\O)c2cccc(Oc3ccccc3)c2)n1 1872757114 RCUIHAHLSNMBJH-DAFNUICNSA-N 474.969 7.523 50 10 JKGE N#C/C(=C(/O)c1cc([N+](=O)[O-])ccc1Cl)c1nc(-c2cc(Cl)ccc2Cl)cs1 1872758785 QIMZVOZHRQBEQH-LGMDPLHJSA-N 452.706 6.628 50 10 JKGE COc1ccc(-c2csc(/C(C#N)=C(\O)c3ccc([N+](=O)[O-])c(C)c3)n2)c(OC)c1OC 1872759047 BVTCHPXTCJNVSG-CYVLTUHYSA-N 453.476 5.002 50 10 JKGE Cc1ccc(-c2csc(/C(C#N)=C/c3ccccc3OCc3ccc(Cl)cc3)n2)c(C)c1 1872790580 RJZZHJYSVUFNOA-HYARGMPZSA-N 456.998 7.724 50 10 JKGE COc1cc(/C=C(\C#N)c2nc(-c3ccc(F)c(F)c3)cs2)ccc1OCc1ccc(C)cc1 1872793396 XSUJRQGCDNMSEC-SRZZPIQSSA-N 474.532 7.049 50 10 JKGE CCCCCCOc1ccc(/C=C(\C#N)c2nc(-c3cc(Cl)ccc3OC)cs2)cc1OC 1872795203 SONFPIGUXXQCDD-CPNJWEJPSA-N 483.033 7.504 50 10 JKGE C[C@H](c1ccc(CNC(=O)OC(C)(C)C)cc1)[C@@H](CBr)NC(=O)OC(C)(C)C 1887136331 UNNJRAYVYVSYPP-RHSMWYFYSA-N 457.409 5.103 50 10 JKGE BrC[C@@H]1CC2(CCCC2)CN1Cc1cccc(Br)c1Br 1912780949 XZJDCOWQLYDXSA-ZDUSSCGKSA-N 466.055 5.741 50 10 JKGE Cc1cc(S(=O)(=O)N(Cc2ccccc2)[C@@H](CBr)C(C)C)sc1Br 1915295335 IZWBFPDHTMBIFB-HNNXBMFYSA-N 495.302 5.429 50 10 JKGE O=C(c1ccc(F)cc1Br)N(Cc1ccccc1)[C@@H](CBr)C1CC1 1915313412 NILOERLDIZNQQY-SFHVURJKSA-N 455.165 5.404 50 10 JKGE Brc1cc(Br)c([C@@H](Br)c2ncsc2Br)s1 1922883612 CZJRFSHVIIUGDP-YFKPBYRVSA-N 496.869 5.976 50 10 JKGE Cc1c(Br)sc([C@H](Br)C2(C(F)(F)F)CCC2)c1Br 1922921156 OEPZLMVMFDTHST-QMMMGPOBSA-N 470.974 6.750 50 10 JKGE Brc1sc(Br)c([C@H](Br)[C@H]2CCCCO2)c1Br 1924579584 HNOHRHRCDRSANW-IYSWYEEDSA-N 497.872 6.041 50 10 JKGE Cl[C@H](c1c(Br)sc(Br)c1Br)[C@@H]1CC[C@H]2C[C@H]2CC1 1924615922 ILRXGPRIVFOCTR-PJFCORBGSA-N 477.487 7.142 50 10 JKGE Cl[C@H](c1c(Br)sc(Br)c1Br)[C@H]1[C@H]2OCCC[C@@H]21 2007594896 XCJVAFOMCAXZDO-QLKUOXBQSA-N 465.432 5.741 50 10 JKGE CCCN(Cc1ccccc1)S(=O)(=O)c1cc(CBr)cc(Br)c1C 2009645706 KLSAJZCIJQTYPC-UHFFFAOYSA-N 475.246 5.253 50 10 JKGE CCc1cc(Br)c([C@@H](Br)c2cn(CC)c(Br)n2)s1 2029232210 GAHAHUINLLPRCF-JTQLQIEISA-N 457.029 5.536 50 10 JKGE Cc1cc([C@H](Br)c2cc(Br)sc2C)c(C)cc1Br 2034562009 OGUPILSYMWOVOO-AWEZNQCLSA-N 453.037 6.683 50 10 JKGE Cc1c(Br)cc(CBr)cc1S(=O)(=O)N(Cc1ccccc1)C(C)(C)C 2059287519 YOCZZGFRXPIJJC-UHFFFAOYSA-N 489.273 5.642 50 10 JKGE CC(=O)Oc1cc2c(cc1Cl)C(c1ccccc1OO)c1cc(Cl)c(OC(C)=O)cc1O2 2060348122 SYJCHQVULLPZBX-UHFFFAOYSA-N 475.280 5.982 50 10 JKGE O=C(CCCCl)Nc1ccc(OCc2c(Cl)cccc2Cl)c(Br)c1 2060405954 SOXIDBYZOMNYGU-UHFFFAOYSA-N 451.575 6.292 50 10 JKGE Clc1cc(Br)cnc1CC(CBr)(CBr)C1CCC1 2063684801 PDWLBVZQFJRZQH-UHFFFAOYSA-N 460.435 5.616 50 10 JKGE Cc1sc(Br)c([C@H](Br)c2c(F)cccc2Br)c1C 2082886957 ZSFDGQLNZXBDIJ-LBPRGKRZSA-N 457.000 6.513 50 10 JKGE C[C@]1([C@@H](Br)c2ccc(Br)cc2Br)C[C@H]1C(F)(F)F 2083330805 SMPJPAHVNLGIMH-VWYCJHECSA-N 450.918 6.236 50 10 JKGE Cc1c(Br)ccc([C@@H](Br)C(F)(F)C(F)(F)F)c1Br 2083341351 YNLLASXKXVJETJ-MRVPVSSYSA-N 460.860 6.154 50 10 JKGE Fc1cccc([C@@H](Br)c2cc3sccc3s2)c1I 2084765162 QYCGKLJQSZYILK-GFCCVEGCSA-N 453.139 6.191 50 10 JKGE BrC[C@]1(Cc2ccc(Br)cc2Br)CCC=CCCC1 2092262247 XYWNJCYWVQSLPM-MRXNPFEDSA-N 451.040 6.656 50 10 JKGE Cc1sc(Br)c([C@@H](Br)c2ccc(F)c(Br)c2F)c1C 2101011601 GUEKCAGICXTDHL-JTQLQIEISA-N 474.990 6.652 50 10 JKGE C[C@@H]1CC[C@H](CCOc2c(Br)cc(Br)cc2CBr)O1 2104839455 ZVUVSNOCDCIUPU-BXKDBHETSA-N 457.000 5.443 50 10 JKGE COc1c(CBr)cc(Cl)cc1S(=O)(=O)N(Cc1ccccc1)C(C)(C)C 2123246091 KYJCSZZDIZRTNV-UHFFFAOYSA-N 460.821 5.233 50 10 JKGE Cc1cc(Br)c(C)c([C@@H](Br)C2(C)CC(C)(C)C2)c1Br 2136371562 TVHILKPIBAAKRR-CQSZACIVSA-N 453.056 7.091 50 10 JKGE COCC1([C@H](Br)c2ccc(Br)c(C)c2Br)CCCC1 2138863892 NEJJYAJNFVAEIG-CQSZACIVSA-N 455.028 6.163 50 10 JKGE COc1ccc(Br)cc1[C@@H](Br)c1cc(C2CC2)c(Br)s1 2151033340 QRWBNAGIRCRCSP-CQSZACIVSA-N 481.047 6.643 50 10 JKGE FC1(F)C[C@]12CCC[C@H]([C@H](Cl)c1c(Br)sc(Br)c1Cl)C2 2156117659 SSVAUOGUQDGFMA-DCUMQYTISA-N 469.016 7.422 50 10 JKGE C[C@H](Cl)c1nc2cc(Cl)c(Br)cc2n1C[C@H]1CCCN1Cc1ccccc1 2169007396 AQMVWLDJPZYTFZ-GOEBONIOSA-N 467.238 6.417 50 10 JKGE ClCc1nc2cc(Cl)c(Br)cc2n1C[C@H]1CCCN(Cc2ccccc2)C1 2169015071 HTTDSWLOZPBGQA-INIZCTEOSA-N 467.238 6.103 50 10 JKGE Clc1cc(Br)cnc1C[C@@H](CBr)Cc1ccccc1Br 2183591121 UCUQGMVIEWWMMK-JTQLQIEISA-N 482.441 6.056 50 10 JKGE ClCc1nc2cc(I)ccc2n1[C@@H]1C[C@@H]2C[C@H](OCc3ccccc3)C[C@@H]21 2190562862 ZGBPTMPIGQTIPP-QUJKESNLSA-N 492.788 5.936 50 10 JKGE Cc1c(Br)ccc([C@H](Br)[C@H]2C[C@H]2c2ccccc2)c1Br 2203689897 ZVMOZIDWYOHKMI-ZQIUZPCESA-N 459.019 6.760 50 10 JKGE COc1c(Br)cc(C)cc1[C@H](Br)c1cc(Br)ccc1Cl 2203829755 KZLYGBKNNXYFGL-CQSZACIVSA-N 483.425 6.666 50 10 JKGE Fc1cccc([C@@H](CI)OCc2cc(F)ccc2Br)c1 2206266325 FGKXBGRSTITCSL-OAHLLOKOSA-N 453.064 5.420 50 10 JKGE Fc1cc(Br)c(Br)cc1[C@@H](Cl)c1ccc(Br)cc1 2218597478 MIAJXRWBWOKQKP-ZDUSSCGKSA-N 457.362 6.441 50 10 JKGE Cc1cc([C@@H](Br)c2sc(Cl)cc2Br)cc(C)c1Br 2220198742 OCYVEHRKNRMPDX-GFCCVEGCSA-N 473.455 7.028 50 10 JKGE Cc1cc([C@H](Cl)c2cc(Br)sc2Br)cc(C)c1Br 2220199893 IUIFKIGTCDWMAD-LBPRGKRZSA-N 473.455 6.981 50 10 JKGE Fc1cc(F)c([C@@H](Cl)c2cc(I)sn2)c(F)c1Br 2220499800 RLAGCZAUTIIOST-VIFPVBQESA-N 468.463 5.256 50 10 JKGE Cn1cc([C@@H](Cl)c2c(Br)cc(Cl)c(Cl)c2Cl)nc1Br 2224312898 RLAZRYSMMJSBBW-SECBINFHSA-N 467.803 6.234 50 10 JKGE Cc1c(Br)ccc([C@H](Br)[C@@H]2OC[C@H]3CCC[C@H]32)c1Br 2224931597 MOEHHJLWPVCLIV-ZMRCNFHJSA-N 453.012 5.771 50 10 JKGE Fc1cc(Br)c(Br)cc1[C@H](Br)[C@]12CCC[C@H]1OCC2 2225615927 BCHMIHLWTOWFLF-RDBSUJKOSA-N 456.975 5.746 50 10 JKGE COc1ccc([C@@H](Br)c2cc(Br)sc2Br)cc1C(C)C 2233136084 ITHIDGFDEJBBBE-CQSZACIVSA-N 483.063 6.889 50 10 JKGE Cc1cc(Br)c([C@H](Br)[C@]23COC[C@@H]2C3(F)F)c(C)c1Br 2235597278 BKWYNNXISMFUGO-XDTLVQLUSA-N 474.965 5.546 50 10 JKGE Cc1cc(Br)c([C@H](Br)[C@@H]2[C@H]3CCCCC[C@H]32)c(C)c1Br 2235599259 LQLJACCKERSENE-NENTXLIVSA-N 465.067 7.091 50 10 JKGE Cc1cc(C)c([C@H](Br)c2sc(C)c(C)c2Br)c(C)c1Br 2237630448 VWTSQVOTVWUFCA-HNNXBMFYSA-N 481.091 7.300 50 10 JKGE Clc1ccc(Br)cc1[C@H](Br)c1ccc2c(c1Br)CCO2 2238081898 JIUZEGHHTJOGPC-OAHLLOKOSA-N 481.409 6.284 50 10 JKGE FC(F)(F)Oc1ccc(Cl)cc1[C@H](Cl)c1sccc1I 2239608603 ISILFPYLNNMIEQ-JTQLQIEISA-N 453.050 6.233 50 10 JKGE CC[C@H](Br)CN(Cc1ccccc1)C(=O)c1cccc(Cl)c1Br 2243512715 SAJIEUUFTMYTJN-AWEZNQCLSA-N 459.609 5.918 50 10 JKGE Cc1c(Br)ccc([C@@H](Br)c2cc(Br)co2)c1Br 2249403474 XDLXBKFXVOXSQJ-GFCCVEGCSA-N 487.811 6.360 50 10 JKGE Fc1cc([C@H](Br)Cc2ccc(Br)cc2)c(Cl)cc1Br 2267804201 SAEWSGBMSNGRHE-LLVKDONJSA-N 471.389 6.683 50 10 JKGE Cc1c(Br)sc([C@@H](Cl)c2cscc2S(C)(=O)=O)c1Br 2272866713 WXFOZSPPTJDJFA-VIFPVBQESA-N 464.653 5.375 50 10 JKGE O=C(c1scc(Br)c1Cl)N1CCC(CBr)(C(F)F)CC1 2289939100 QAUHSARCFVZYDZ-UHFFFAOYSA-N 451.558 5.046 50 10 JKGE Cc1ccc(N2C(=O)[C@@H](Cc3cccc(C)c3)SC2=C(C#N)C(=O)Nc2ccc(Cl)cc2)cc1 2293039259 URISKTODOVRUQR-XMMPIXPASA-N 488.012 6.022 50 10 JKGE Fc1c(Cl)cccc1C[C@H](Br)c1cc2sc(Br)cc2s1 2295492854 MOEOOCBIEQLDNA-QMMMGPOBSA-N 454.611 7.197 50 10 JKGE N#CC(=Cc1cc(Cl)ccc1OCc1c(F)cccc1Cl)S(=O)(=O)c1ccccc1 2295561181 ZKLAVWZACDXZGP-UHFFFAOYSA-N 462.329 6.050 50 10 JKGE COCC1([C@@H](Br)c2cc(Br)c(Br)cc2F)CC(F)(F)C1 2295604830 ALBFYUSPMDKNBO-NSHDSACASA-N 480.944 5.849 50 10 JKGE CCCOc1ccc(-c2nn(-c3ccccc3)cc2C=C(C#N)C(=O)N[C@H](C)c2ccccc2)cc1C 2296730298 SBFQQMZOTFKDDI-HSZRJFAPSA-N 490.607 6.421 50 10 JKGE CCc1ccsc1[C@@H](Br)c1cc(Br)ccc1OCc1ccccc1 2299502567 XOVLMRSVNUDDCJ-IBGZPJMESA-N 466.238 7.136 50 10 JKGE C[C@@]1([C@@H](Br)c2sc(Cl)cc2I)CCCC1(F)F 2300953968 QPBBBJHHMQJRAM-UWVGGRQHSA-N 455.533 6.268 50 10 JKGE Cc1c(Br)ccc([C@@H](Br)[C@@H]2C[C@H]2C(F)(F)F)c1Br 2311918574 ADVKDQGSCUGKRA-SOCHQFKDSA-N 450.918 6.154 50 10 JKGE CN(C)C(=O)C(C#N)=Cc1ccc(OCc2ccc3ccccc3c2)c(I)c1 2313566958 FIAVJFHNJZRYPT-UHFFFAOYSA-N 482.321 5.019 50 10 JKGE CCOc1cc(C=C(C#N)C(=O)Nc2ccc(C)cc2C)ccc1OCc1ccccc1Cl 2313667939 ZDHSIHPSOPGJCP-UHFFFAOYSA-N 460.961 6.480 50 10 JKGE Cc1c(Cl)cccc1NC(=O)C(C#N)=Cc1cc(Cl)ccc1OCc1ccc(Cl)cc1 2313681208 UDMKPYOUPSVXCE-UHFFFAOYSA-N 471.771 7.080 50 10 JKGE CCOc1cc(C=C(C#N)C(=O)Nc2cccc(Cl)c2C)ccc1OCc1ccccc1F 2313730518 ZLPCSCJUPJSXLD-UHFFFAOYSA-N 464.924 6.311 50 10 JKGE CCCOc1cccc(-c2nn(-c3ccccc3)cc2C=C(C#N)C(=O)NCc2ccccc2)c1 2314476867 XDKDCGPGKIQLQK-UHFFFAOYSA-N 462.553 5.551 50 10 JKGE FC(F)(F)[C@H]1CCc2c(Br)cc(OCc3ccccc3)cc2[C@H](Br)C1 2314479903 FCEIIHQDKXAQIZ-SUMWQHHRSA-N 478.146 6.979 50 10 JKGE Cc1cc(C)cc(Oc2nc3c(C)cccn3c(=O)c2C=C(C#N)C(=O)Nc2ccc(C)c(C)c2)c1 2314531545 CCUSPUXCBSDNTP-UHFFFAOYSA-N 478.552 5.575 50 10 JKGE N#CC(=Cc1ccc(-c2cc(Cl)cc(Cl)c2)o1)c1nc(-c2ccc([N+](=O)[O-])cc2)cs1 2314572153 URYRFEHNOQKUQQ-UHFFFAOYSA-N 468.321 7.349 50 10 JKGE CC1=C(C#N)C(=O)N(CCCOC(C)C)C(=O)C1=Cc1cn(-c2ccccc2)nc1-c1ccc(C)cc1 2314618208 JHKROSUGKTXVKV-UHFFFAOYSA-N 494.595 5.255 50 10 JKGE COc1ccc(C=C(C(=O)NNC(=O)c2ccc(-c3ccccc3OC)nc2C)c2ccccc2)cc1 2321185082 DMIXEWQNTKLSNM-UHFFFAOYSA-N 493.563 5.076 50 10 JKGE COc1cccc(C=C(C#N)c2nc3ccccc3[nH]2)c1OCc1ccc(Cl)c(Cl)c1 2331020455 KMEDIUJHYMUDAA-UHFFFAOYSA-N 450.325 6.521 50 10 JKGE CCCCCCCCCOc1ccc(C=C(C#N)c2ccc(C(=O)OC(C)C)o2)cc1Cl 2331049698 HTIGECIJSSNPKW-UHFFFAOYSA-N 457.998 7.692 50 10 JKGE CCOc1ccc(C=C(C(O)=C(C#N)c2nc(-c3ccc(C)cc3)cs2)c2ccccc2)cc1 2331312316 HKJQBWQGXBFYMM-UHFFFAOYSA-N 464.590 7.551 50 10 JKGE FC1(F)[C@H]2C[C@H]([C@@H](Br)c3ccc(OCc4ccccc4)cc3Br)CC[C@H]21 2336077798 KYZRGVNXKKBFQG-XUMLPFHTSA-N 486.194 7.146 50 10 JKGE COc1c(Br)cc(C)c([C@@H](Br)C[C@H]2CCOC2)c1Br 2339654546 TTZDYPNLRZZECD-ZJUUUORDSA-N 457.000 5.391 50 10 JKGE COc1c(Br)cc(C)c([C@H](Br)[C@@]23CCC[C@@H]2C3)c1Br 2339656696 QHGGZZQKXPJYKI-TURNYIBQSA-N 453.012 6.155 50 10 JKGE BrCC1(Cc2ccc(I)c(Br)c2)CC2(C1)CC21CC1 2349838068 APJHFNAKWIHBJJ-UHFFFAOYSA-N 496.024 5.942 50 10 JKGE Fc1c(Br)cc(Cl)c([C@H](Br)[C@@]23CCC[C@H]2OCC3)c1Br 2362225121 UOSSNQNQBBLELZ-BIGNPOOSSA-N 491.420 6.399 50 10 JKGE COc1c(Br)cc(C)c([C@H](Br)C[C@H]2CCC2(F)F)c1Br 2365176983 VKFUKKWDFAQUQQ-RKDXNWHRSA-N 476.981 6.400 50 10 JKGE CC(C)(C)[C@@H]1CC[C@H](Br)[C@@H](Cc2cc(I)ccc2Cl)C1 2380522103 KTEJNLAIFRKLSG-LNSITVRQSA-N 469.632 6.713 50 10 JKGE CCc1cc(Br)c(OC)c([C@@H](Cl)c2cc(Br)c(Cl)s2)c1 2381254983 VOEFHYDLVYJLCX-GFCCVEGCSA-N 459.030 6.826 50 10 JKGE COc1cc(/C=C(\C#N)c2ccc(C(=O)O)cc2)cc(Br)c1OCc1cccc(F)c1 2886391 MSNFZUXHLFAPPF-DJKKODMXSA-N 482.305 5.938 50 10 JKGE CCc1ccc(N/C(SCc2ccc(Cl)cc2)=C(/C#N)C(=O)NCc2ccco2)cc1 3058792 HLEUFUZLHBZQRN-ZNTNEXAZSA-N 451.979 5.892 50 10 JKGE COc1ccc(NC(=O)/C(C#N)=C/c2ccc(OC(F)(F)[C@@H](F)C(F)(F)F)cc2)cc1OC 32788327 AWHULFXCZZXCFZ-CWIMXHLESA-N 474.357 5.121 50 10 JKGE N#C/C(=C/c1ccc(-c2ccc([N+](=O)[O-])cc2)o1)C(=O)Nc1ccc([N+](=O)[O-])cc1C(F)(F)F 33930461 NEGUAUXZMADZDI-LCYFTJDESA-N 472.335 5.327 50 10 JKGE COc1ccc2c(c1)/C(=N\NC(=O)c1cc(-c3ccccc3)nc3ccccc13)C(=O)N2CCC(C)C 38180399 NARAKAUGMLGDOP-VEWQFJOQSA-N 492.579 5.437 50 10 JKGE COc1ccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)[C@@H](C)Oc4ccc(C(C)C)cc4)ccc32)cc1 38650400 NDMWHQKZVPVVIC-DNOBIOAJSA-N 484.552 5.410 50 10 JKGE CCc1ccc(Oc2nc3c(C)cccn3c(=O)c2/C=C(\C#N)C(=O)Nc2ccc(F)cc2)cc1 39992925 MWLAULFXSOADTE-XDJHFCHBSA-N 468.488 5.042 50 10 JKGE CCN(c1cccc(C)c1)c1ncnc(NNC(=O)C(c2ccccc2)c2ccccc2)c1[N+](=O)[O-] 40572499 WXLNFFLOMSQBLG-UHFFFAOYSA-N 482.544 5.126 50 10 JKGE Cc1ccc(NC(=O)c2oc3c(c2C)/C(=N/NC(=O)Cc2coc4c(C)c(C)ccc24)CCC3)cc1C 40826650 CEORJMZRXYMCEY-FEZSWGLMSA-N 497.595 6.220 50 10 JKGE COc1cc(/C=C(\C#N)c2ccccc2)ccc1OC(=O)CCCCCN1C(=O)c2ccccc2C1=O 40851143 PEHCQWMVZKZNBA-PTGBLXJZSA-N 494.547 5.521 50 10 JKGE Cc1ccc(C)c(NC(=O)/C(C#N)=C/c2cccc(OCc3ccc(Br)cc3)c2)c1 59198864 JTLDWXITJNQPBM-FYJGNVAPSA-N 461.359 6.191 50 10 JKGE N#C/C(=C/c1cn(Cc2ccccc2Cl)c2ccccc12)C(=O)Nc1cccc([N+](=O)[O-])c1 59224564 NOGKLCDAFGGJGP-PDGQHHTCSA-N 456.889 5.797 50 10 JKGE CC[C@H](C)N1C(=O)C(C#N)=C(C)/C(=C\c2cn(-c3ccccc3)nc2-c2ccc3c(c2)C[C@H](C)O3)C1=O 101334237 SUGPQLCFTFYWJZ-ZJTSQMIGSA-N 492.579 5.253 50 10 JKGE CC(C)CCC[C@H](C)[C@H]1CC[C@H]2[C@@H]3CC=C4C[C@H](OC(=O)CCCl)CC[C@]4(C)[C@H]3CC[C@@]21C 118920356 NZCIAHIYIOJGGF-LERCQJJSSA-N 477.173 8.569 50 10 JKGE CC[C@H](C)N1C(=O)C(C#N)=C(C)/C(=C/c2cn(-c3ccccc3)nc2-c2c(C)cc(C)cc2C)C1=O 214254255 RTFYKKKMZYAJFZ-BABSMXRMSA-N 478.596 5.855 50 10 JKGE Fc1cc([C@@H](Br)c2cc(Br)cc3c2OCC3)ccc1Br 228443611 BNZTWZIVOKXLLI-CQSZACIVSA-N 464.954 5.770 50 10 JKGE O=C(c1cc(Br)sc1Br)N1CCCC[C@@H]1CCBr 232459646 WSSPSLFGLBDRLO-MRVPVSSYSA-N 460.029 5.053 50 10 JKGE COc1ccc(C)cc1[C@H](Br)c1cc(Cl)ccc1I 234834633 URBVJSDFTYEBFY-OAHLLOKOSA-N 451.529 5.746 50 10 JKGE CC(=NNC(=O)[C@H]1C[C@H]1c1ccc(C(C)(C)C)cc1)c1cccc(NC(=O)c2ccccc2F)c1 252604109 FWPPNHQXHLKRAG-DQEYMECFSA-N 471.576 6.019 50 10 JKGE CCCCCCCCCCOc1ccc(C(=O)NN=Cc2ccc(OCCCCCCC)cc2)cc1 254441411 OSEQTOAROGXIKO-UHFFFAOYSA-N 494.720 8.319 50 10 JKGE O=C(NN=Cc1cccc(C(F)(F)F)c1)c1ccc(NN=Cc2cccc(C(F)(F)F)c2)cc1 254501925 ZRRPJRZUKVKNMZ-UHFFFAOYSA-N 478.396 5.934 50 10 JKGE Cc1ccc(C(=O)Oc2ccc3ccccc3c2C=NNC(=O)c2cccc3ccccc23)cc1 254521377 STKKESIXFFRDMG-UHFFFAOYSA-N 458.517 6.285 50 10 JKGE CCCCOc1ccc(C(=O)NN=Cc2ccc(OC(=O)c3ccccc3)c(OCC)c2)cc1 254871626 BTGMVTTVYOVNSO-UHFFFAOYSA-N 460.530 5.247 50 10 JKGE C[C@H]1CCC[C@H](COc2c(Br)cc(CBr)cc2Br)C1 311448686 IQBXOSZQPVBPTD-QWRGUYRKSA-N 455.028 6.312 50 10 JKGE Fc1cc([C@@H](Br)c2sccc2I)c(F)cc1Br 379766963 KCEUEFXBBPJXFV-SNVBAGLBSA-N 493.936 5.878 50 10 JKGE CC(C)CCCCCC(CBr)(CBr)c1cccc(Br)c1 383500777 HUHYBFFZCUPFKI-UHFFFAOYSA-N 469.099 7.083 50 10 JKGE Brc1cc([C@@H](Br)c2cccc3ccsc23)sc1Br 386313198 BLYVEZPVRLNRDX-NSHDSACASA-N 467.045 6.972 50 10 JKGE Fc1cc([C@@H](Br)c2cc(Br)sc2Br)c(F)c(F)c1F 396046125 WDLWEDYTOCYXEO-SSDOTTSWSA-N 482.916 6.314 50 10 JKGE CCn1cc([C@H](Br)c2ccc(F)c(Br)c2F)nc1Br 691563575 VQPKYCKRVXCANT-SECBINFHSA-N 458.926 5.191 50 10 JKGE Brc1ccc(Br)c([C@H](Br)c2cc3cscc3s2)c1 694343214 PYEIOJCUBSORAC-ZDUSSCGKSA-N 467.045 6.972 50 10 JKGE BrCC(CBr)(Cc1ncccc1Br)C1CCCCC1 696831484 XZTFYZCTJPPAFU-UHFFFAOYSA-N 454.044 5.743 50 10 JKGE Cc1cc(C)c([C@@H](Br)c2ccc(I)c(Br)c2)s1 721586536 JCXAQXPYFCHYDL-LBPRGKRZSA-N 486.010 6.216 50 10 JKGE CCOc1ccc([C@H](Cl)c2cccc(F)c2I)cc1Br 721699169 UYUCBILXYQSURI-AWEZNQCLSA-N 469.519 5.920 50 10 JKGE C[C@H]1CC(COc2c(Br)cc(CBr)cc2Br)C[C@H](C)O1 724410839 LAPMHAWBCLFINH-UWVGGRQHSA-N 471.027 5.689 50 10 JKGE Cc1cccc(C)c1-n1c(C)cc(C=NNC(=O)c2cc3cc(Br)ccc3o2)c1C 1083904703 JJTWTOFVEYFOGG-UHFFFAOYSA-N 464.363 5.984 50 10 JKGE CC(C)c1ccc(OCC(=O)NN=Cc2ccccc2OCc2ccccc2)c(Br)c1 1084080864 ARBRKCVGVVLYPC-UHFFFAOYSA-N 481.390 5.681 50 10 JKGE CCc1ccc(NC(=O)/C(C#N)=C\c2cc(Br)ccc2OCc2ccccc2)cc1 1084227455 JANDSOUYIWWBAL-STZFKDTASA-N 461.359 6.136 50 10 JKGE Cc1c(Cl)cccc1NC(=O)CCC(=O)NN=Cc1ccccc1OCc1ccccc1Cl 1084597120 ZRQLBXNIZGDCHM-UHFFFAOYSA-N 484.383 5.750 50 10 JKGE O=C(CSc1nc2ccccc2s1)NN=Cc1ccc(-c2cc(Cl)cc(Cl)c2)o1 1772724056 DXIYYAAGONTQHN-UHFFFAOYSA-N 462.383 6.106 50 10 JKGE O=C(CSc1nc2ccccc2[nH]1)NN=Cc1ccccc1OCc1c(Cl)cccc1Cl 1772760379 HOZVCRBGKBHKSV-UHFFFAOYSA-N 485.396 5.691 50 10 JKGE N#CSc1ccc(NC(=O)Oc2ccc(CNC(=O)COc3ccccc3Cl)cc2)cc1 1858902816 LSPUDHKCDYKUFR-UHFFFAOYSA-N 467.934 5.219 50 10 JKGE COc1ccc(-c2nn(Cc3ccc(F)cc3)c3c2[C@H](c2ccc(Cl)cc2)C(C#N)=C(N)O3)cc1 1865683532 LZLWYORQGJUXPU-HSZRJFAPSA-N 486.934 5.618 50 10 JKGE CCCOc1ccc([C@H]2C(C#N)=C(N)Oc3c2c(CCC)nn3Cc2ccc(F)cc2)cc1OCC 1865688669 YCWJYSVNTDQYKG-VWLOTQADSA-N 490.579 5.429 50 10 JKGE CCOc1ccc([C@@H]2C(C#N)=C(N)Oc3c2c(CC)nn3-c2ccc(Cl)c(Cl)c2)cc1 1865694941 GDFLPOKSOQZLHR-HXUWFJFHSA-N 455.345 5.358 50 10 JKGE COc1ccc(-c2nn(-c3cccc4ccccc34)c3c2[C@H](c2ccccn2)C(C#N)=C(N)O3)cc1 1865699801 CVAQQRYNNFXQCR-VWLOTQADSA-N 471.520 5.314 50 10 JKGE COc1ccc(-c2nn(-c3ccccn3)c3c2[C@@H](c2ccc(C(F)(F)F)cc2)C(C#N)=C(N)O3)cc1 1865711272 URRZQKBUTNUJCX-NRFANRHFSA-N 489.457 5.180 50 10 JKGE COc1ccc(-c2nn(Cc3ccc(Cl)cc3)c3c2[C@H](c2ccc(OC)cc2)C(C#N)=C(N)O3)cc1 1865713059 PUNWJCVXIKGFET-XMMPIXPASA-N 498.970 5.487 50 10 JKGE Cc1ccc(OCCCC(=O)NNC(=O)c2ccc(-c3ccc(Cl)cc3Cl)nc2C)cc1 1865759474 CAFGENSWIPQHGR-UHFFFAOYSA-N 472.372 5.292 50 10 JKGE Cc1cc([C@H](CC(=O)N[C@H](C(=O)Nc2ccc(SC#N)cc2)c2ccccc2)C(C)C)ccc1F 1866767625 RQRYJFHDVNHMOZ-SQHAQQRYSA-N 489.616 6.333 50 10 JKGE CCCc1nc(Nc2ccc(SC#N)cc2)cc(N2C[C@@H](C)N(c3ccccc3)[C@H](C)C2)n1 1868388864 NFRKUQMIGJWMKM-WOJBJXKFSA-N 458.635 5.849 50 10 JKGE CCOc1cc(/C=C(\C#N)c2nc3ccccc3s2)ccc1OCc1c(Cl)cccc1Cl 1872726759 HUDNIYMXWJYEAZ-SFQUDFHCSA-N 481.404 7.645 50 10 JKGE COc1cc(C)c(-c2csc(/C(C#N)=C(\O)[C@H](C)Oc3ccc(Cl)cc3)n2)cc1C(C)C 1872753590 FHAFZMCOKAPAOB-QWVAQTLSSA-N 469.006 7.164 50 10 JKGE COc1ccc(-c2csc(/C(C#N)=C(\O)c3cccc(OCC(C)C)c3)n2)c2ccccc12 1872758484 CHFAUSPZNAKFIO-RWEWTDSWSA-N 456.567 6.957 50 10 JKGE CCCCCOc1ccc(/C=C(\C#N)c2nc(-c3ccc4ccccc4c3)cs2)cc1OC 1872782501 JEQUHKADCYEEEG-BUVRLJJBSA-N 454.595 7.605 50 10 JKGE COc1cc(OC)c(-c2csc(/C(C#N)=C/c3cc(Br)ccc3O)n2)cc1Cl 1872793709 PIKPHHJXVCOKPY-LFYBBSHMSA-N 477.767 6.013 50 10 JKGE CCN(Cc1ccccc1)c1ccc(/C=C(\C#N)c2nc(-c3cc(C)c(OC)cc3C)cs2)cc1 1872795277 XFFOECAPHBBOPL-KOEQRZSOSA-N 479.649 7.526 50 10 JKGE C[C@H](Br)CN(Cc1ccccc1)S(=O)(=O)c1ccc(Cl)c(Br)c1 1914638946 QYAUDKHZQOOSAJ-LBPRGKRZSA-N 481.637 5.077 50 10 JKGE Clc1ccc(C[C@@H](Br)c2cc(Cl)ccc2I)nc1 1918238038 BLTLLDNNIWXWES-GFCCVEGCSA-N 456.936 5.672 50 10 JKGE Cc1ccc(C)c(C[C@@H](Br)c2sc(Br)c(C)c2Br)c1 1922899316 BKSYKBHGDIKEAC-GFCCVEGCSA-N 467.064 6.877 50 10 JKGE Cc1c(Br)sc([C@H](Br)c2cscc2C(F)(F)F)c1Br 1922922193 ZATLFNGHLDKODV-MRVPVSSYSA-N 499.009 7.146 50 10 JKGE Cc1c(Br)sc([C@@H](Br)c2ccc3c(c2)COCC3)c1Br 1922934493 HGIOKBGOGSKXFZ-ZDUSSCGKSA-N 481.047 6.139 50 10 JKGE Cc1ccccc1C[C@@H](Br)c1sc(Br)c(C)c1Br 1922946039 MXMAZVCULDTXQV-LLVKDONJSA-N 453.037 6.569 50 10 JKGE Cn1nc([C@@H](Cl)c2c(Br)sc(Br)c2Cl)c(Cl)c1Cl 1923038409 JAKHNWQKBPIKAX-VKHMYHEASA-N 473.832 6.295 50 10 JKGE CC(C)(C1CCCCC1)[C@@H](Br)c1c(Br)sc(Br)c1Cl 1923068736 VUOCLGNICBYNNR-NSHDSACASA-N 493.530 7.969 50 10 JKGE C[C@@]1([C@H](Br)c2sc(Br)cc2Br)CCCC1(F)F 2002592084 OWFDMNYXZFUBJW-ZJUUUORDSA-N 452.984 6.535 50 10 JKGE BrCc1ccc(Br)cc1N1C[C@H]2C[C@@H](C1)N(Cc1ccccc1)C2 2014348496 TWWQGTVRDPPQRX-LPHOPBHVSA-N 450.218 5.055 50 10 JKGE Clc1c(Br)sc(Br)c1[C@H](Br)C12CCC(CC1)O2 2017156419 IHBJLZQSTGAAPC-QHCBANEHSA-N 465.432 6.074 50 10 JKGE Cl[C@H](c1c(Br)sc(Br)c1Br)[C@]12CCOC[C@H]1C2 2018506883 GQLWQEMVIMAERO-MEQXXCBNSA-N 465.432 5.742 50 10 JKGE COc1cc(Br)c(C)cc1[C@@H](Br)c1sccc1Br 2029253076 ZHBARTABOHITAS-GFCCVEGCSA-N 455.009 6.074 50 10 JKGE Cc1cc([C@H](Br)c2cc(C3CC3)c(Br)s2)sc1Br 2033643181 PBHSPAAKAIVHBK-NSHDSACASA-N 471.077 7.005 50 10 JKGE COc1sc([C@@H](Br)Cc2ccc(Br)cc2)cc1Br 2034630493 WJIBLVCXMAYAFI-JTQLQIEISA-N 455.009 5.960 50 10 JKGE Brc1cc([C@@H](Br)c2cscc2OCc2ccccc2)cc2c1OCC2 2038676190 DZJROAGFDFCMFP-LJQANCHMSA-N 480.221 6.509 50 10 JKGE FC1(F)CCOC[C@@H]1[C@H](Cl)c1c(Br)sc(Br)c1Br 2047874957 RTKITNWKDQSYKN-FBCQKBJTSA-N 489.401 5.987 50 10 JKGE Cc1c(Br)sc([C@@H](Br)[C@H]2[C@H]3CCCCC[C@H]32)c1Br 2048336296 DWBGHWQGZBIOFY-WYFGTUCQSA-N 457.069 6.844 50 10 JKGE O=C(C=Cc1ccccc1[N+](=O)[O-])NNC(=O)c1ccc(CSc2ccc(Cl)cc2)cc1 2053514705 SYVDENBJKMBMRP-UHFFFAOYSA-N 467.934 5.015 50 10 JKGE C[C@H](C[C@H]1CCCCCN1C(=O)OC(C)(C)C)NCCSSCCNC(=O)OC(C)(C)C 2061265556 IRYFXFXCNHBMHO-RTBURBONSA-N 491.764 5.440 50 10 JKGE FC(F)(C1CCCCC1)[C@@H](Br)c1cc(Br)c(Br)s1 2065548094 GSRCDKPFADTUKB-JTQLQIEISA-N 467.011 6.925 50 10 JKGE COc1c(Br)cc(C)cc1[C@@H](Cl)c1csc(I)c1 2083460494 UTTYQRWKYSPHPK-LBPRGKRZSA-N 457.558 5.760 50 10 JKGE Clc1ccc([C@H](CBr)Cc2cccc(Br)c2Br)cc1 2092335104 KQQMYPZLPIDCSO-LBPRGKRZSA-N 467.426 6.586 50 10 JKGE ClCc1nc2cc(Br)c(Cl)cc2n1C[C@H]1CCN(Cc2ccccc2)C1 2103624936 SHWYSMLBKUWZOO-HNNXBMFYSA-N 453.211 5.713 50 10 JKGE C[C@]1(C(F)(F)F)C[C@@]1(CBr)Cc1c(Br)cccc1Br 2105517614 LSYLBBYPKOKFSU-NWDGAFQWSA-N 464.945 6.108 50 10 JKGE CN(C(=O)c1csc(Br)c1Br)[C@@H]1CCCCC[C@H]1Br 2115913357 FPLZYSBHMMBOEN-NXEZZACHSA-N 474.056 5.441 50 10 JKGE Cc1c(Cl)cc(CN[C@@H](C)CCCCCI)cc1Br 2117883555 UQEHEGSAGAXZOO-NSHDSACASA-N 458.609 5.884 50 10 JKGE Cc1cc(F)c(Cl)cc1[C@H](Br)Cc1ccccc1I 2137049605 UGYVALQYMHFRHP-GFCCVEGCSA-N 453.520 6.071 50 10 JKGE Cc1cc([C@H](Cl)c2cc(Cl)c(Br)cc2F)ccc1I 2142139909 CKUAILZPVOHXFX-AWEZNQCLSA-N 473.938 6.483 50 10 JKGE COc1ccc([C@@H](Br)c2ccc(Br)cc2I)c(F)c1 2142286751 HSRWCFPCSLZIOJ-CQSZACIVSA-N 499.943 5.686 50 10 JKGE ClCc1nc2cc(Br)c(Cl)cc2n1Cc1ccc(Br)s1 2159868716 RDFVDOPPFHIVGU-UHFFFAOYSA-N 455.002 6.063 50 10 JKGE C[C@@H](c1cccs1)N(Cc1ccccc1)S(=O)(=O)c1ccc(F)c(CBr)c1 2179786940 HWHVVLFDNXXHCN-HNNXBMFYSA-N 468.413 5.734 50 10 JKGE CC(C)(C)OC(=O)Nc1cccc([S@](C)(=O)=NCc2ccc(CBr)cc2)c1 2182844713 HNPWMQRKTSBACN-MHZLTWQESA-N 453.402 5.585 50 10 JKGE C[C@@]12CC[C@@](COc3c(Br)cc(CBr)cc3Br)(C1)OC2 2193704032 XJBWTJKKYFNURU-CABCVRRESA-N 469.011 5.445 50 10 JKGE Cc1c(Br)ccc([C@@H](Br)C(F)(F)C2CCOCC2)c1Br 2203683633 DVPZNPIHSFFROW-CYBMUJFWSA-N 476.981 6.018 50 10 JKGE Cc1sc(Br)cc1[C@H](Br)c1sc(C)c(C)c1Br 2215946242 UKGXJVWULWBDDB-NSHDSACASA-N 459.066 6.744 50 10 JKGE Cc1ccc([C@@H](Br)c2c(Br)cc(C)c(Cl)c2C)c(Br)c1 2232527945 FUGUWBXYFSDBKN-OAHLLOKOSA-N 481.453 7.275 50 10 JKGE CO[C@](C)(COCc1ccccc1)Cn1c(CCl)nc2c(F)cc(Br)cc21 2232914320 OKSLLXHHTBCGJT-FQEVSTJZSA-N 455.755 5.299 50 10 JKGE CCCCCCc1ccc([C@H](Br)c2cccc(I)c2)s1 2234125662 CYMQFZAYVNOOIH-QGZVFWFLSA-N 463.222 6.960 50 10 JKGE COc1ccc([C@H](Br)c2cc(C)c(Br)c(C)c2)cc1Br 2235678356 MDNVTPKWVPDBJH-INIZCTEOSA-N 463.007 6.321 50 10 JKGE Clc1sc(Br)c(Cl)c1[C@@H](Br)c1cocc1Br 2244216938 MTDXAWQZOOKTIX-LURJTMIESA-N 469.807 6.657 50 10 JKGE N#Cc1nc(COc2c(Br)cc(CBr)cc2Br)cs1 2271169852 LJFWQKHPYUIUQO-UHFFFAOYSA-N 466.980 5.014 50 10 JKGE Cl[C@H](c1ccc(C2CCC2)s1)c1cc(I)ccc1Br 2271972234 YHZXTNPPHRMRQA-HNNXBMFYSA-N 467.597 6.711 50 10 JKGE COc1cc(C)c(Cl)cc1[C@@H](Br)c1scc(Br)c1Br 2277908131 WRLDJMKZYGAALI-LLVKDONJSA-N 489.454 6.728 50 10 JKGE C[C@@H]1CCC[C@H](CCOc2c(Br)cc(CBr)cc2Br)C1 2279845260 LRCFACBCFWDJDJ-VXGBXAGGSA-N 469.055 6.702 50 10 JKGE COc1ccc([C@@H](Br)c2cc(Br)ccc2C)c(Br)c1Cl 2283564858 WFBUEVSVNRPLFB-CYBMUJFWSA-N 483.425 6.666 50 10 JKGE COc1cc([C@H](Cl)c2ccc(OC)c(I)c2)ccc1Br 2285007770 IMWIVRAYXRHWAF-OAHLLOKOSA-N 467.528 5.399 50 10 JKGE CC1CCC(CO[C@@](C)(CI)c2ccccc2Br)CC1 2287570293 BZZXYGWUEKIIPY-KVULBXGLSA-N 451.186 5.942 50 10 JKGE Fc1cc(Br)c(F)c(Br)c1[C@H](Br)C1CC2(CC(F)C2)C1 2288488504 JCZQKOJKBWZVCY-VHDPVDNTSA-N 476.956 6.454 50 10 JKGE CC1(C)CCC(C)(C)[C@H](Cc2cccc(Br)c2Br)[C@@H]1Br 2290309215 WSBWPDVGWQFPPV-DOMZBBRYSA-N 467.083 6.980 50 10 JKGE CC1(C)CCC(C)(C)[C@@H](Cc2cccc(Br)c2Br)[C@H]1Br 2290309217 WSBWPDVGWQFPPV-SWLSCSKDSA-N 467.083 6.980 50 10 JKGE Clc1cc(Cl)cc(C[C@H](Br)c2cc3sc(Br)cc3s2)c1 2295413902 JVTKDOGICXKHRY-JTQLQIEISA-N 471.066 7.711 50 10 JKGE COc1c(Br)cc([C@H](Br)c2cocc2Br)c(OC)c1C 2295416120 FPNCZNHFIWYJEF-LBPRGKRZSA-N 468.967 5.615 50 10 JKGE CCOc1ccc(C[C@@H]2SC(=C(C#N)C(=O)Nc3ccccc3)N(c3ccccc3)C2=O)cc1 2296506962 NHJBNVAVFIGHFG-DEOSSOPVSA-N 469.566 5.150 50 10 JKGE N#CC(=CNc1ccc(C(N)=O)cc1)c1nc(-c2cc3c(ccc4ccccc43)oc2=O)cs1 2296798366 JFUBJGJOQYKZPM-UHFFFAOYSA-N 464.506 5.145 50 10 JKGE Brc1ccc(OCc2ccccc2)c([C@H](Br)C23CC(CCO2)C3)c1 2299495779 MHMLBIPTNCAKLR-YHDJDMAPSA-N 452.186 6.033 50 10 JKGE Cn1cc(Cl)c([C@@H](Br)c2cc(Br)ccc2OCc2ccccc2)n1 2299505141 UGTTXIIPAWCUOJ-KRWDZBQOSA-N 470.592 5.899 50 10 JKGE C[C@@H]1C[C@H](C[C@H](Br)c2cc(Br)ccc2OCc2ccccc2)CO1 2299534803 HVILYXJRGJEZJI-OGWOLHLISA-N 454.202 6.279 50 10 JKGE O=C(N[C@H](CCBr)COCc1ccccc1)c1ccc(Br)cc1Cl 2303544762 IGWWGLYKHOGSDV-OAHLLOKOSA-N 475.608 5.203 50 10 JKGE CCOC(=O)c1c(NC(=O)C(C#N)=Cc2ccc(-c3ccc(C(=O)O)cc3)o2)sc(C)c1C 2314488188 LXDAQYNGMPGFCI-UHFFFAOYSA-N 464.499 5.046 50 10 JKGE Cc1c([C@@H](Cl)c2cc(Br)ccc2OCc2ccccc2)c(Br)nn1C 2314494590 JQVPWHOESUFQOI-SFHVURJKSA-N 484.619 6.161 50 10 JKGE COc1ccccc1NC(=O)C(C#N)=C1S[C@@H](Cc2ccccc2)C(=O)N1c1ccc(C)c(C)c1 2314591717 BWXOKZGVMAVUNY-VWLOTQADSA-N 483.593 5.377 50 10 JKGE Fc1c(Br)cc(Cl)c([C@H](Br)[C@H]2C[C@H]2C2CC2)c1Br 2315440332 RIHKVMIVDAXDKJ-OKTBNZSVSA-N 461.394 6.486 50 10 JKGE C[C@H]([C@@H](Br)c1c(Cl)cc(Br)c(F)c1Br)C(F)(F)F 2315453038 IZMQNRWVDBGBHH-WVBDSBKLSA-N 477.315 6.639 50 10 JKGE COc1cc(Br)c([C@@H](Br)c2cnsc2Br)cc1C 2315642595 LIAOQDQGMWPPJD-LLVKDONJSA-N 455.997 5.469 50 10 JKGE CCCOc1ccccc1C=CC(=O)Nc1cccc(C(=O)Nc2ccc(SC#N)cc2)n1 2321121896 IBPHZTQWIFAEMI-UHFFFAOYSA-N 458.543 5.348 50 10 JKGE COc1ccc(-c2csc(C(C#N)=C(O)CCCOc3ccccc3Cl)n2)cc1OC 2331242539 MHHSWTBAAVPDCH-UHFFFAOYSA-N 456.951 6.133 50 10 JKGE N#CC(=C(O)[C@@H](Cc1ccccc1)N1C(=O)c2ccccc2C1=O)c1nc(-c2cccs2)cs1 2331327564 UBTUGSVVTPFIOM-OAQYLSRUSA-N 483.574 5.572 50 10 JKGE CCOc1ccc(OCC)c(-c2csc(C(C#N)=C(O)[C@H](C)N3C(=O)c4ccccc4C3=O)n2)c1 2331376152 JZTWYQDMZQPIRK-HNNXBMFYSA-N 489.553 5.085 50 10 JKGE CCCCCOc1ccc(C=C(C#N)c2nc(-c3ccc4ccccc4c3)cs2)cc1OC 2331416739 JEQUHKADCYEEEG-UHFFFAOYSA-N 454.595 7.605 50 10 JKGE CCCOc1c(Br)cc(C=C(C#N)c2nc(-c3ccccc3OC)cs2)cc1OC 2331434615 FOICPGPTWGFUDU-UHFFFAOYSA-N 485.403 6.443 50 10 JKGE CCCOc1c(C=C(C#N)c2nc(-c3ccc(Oc4ccccc4)cc3)cs2)cccc1OC 2331464627 ZNMXSAOZZZSYEW-UHFFFAOYSA-N 468.578 7.464 50 10 JKGE CC(C)=CCCC(C)=CC[C@H](O)C(C)=CCC[C@]1(C)[C@H](CCCO)C(=C(C)C=O)CC[C@@]1(C)O 2333253932 KVTCHSWVSFQOTP-GOGZTAQTSA-N 474.726 6.612 50 10 JKGE Brc1ccc(OCc2ccccc2)c([C@H](Br)[C@H]2C[C@H]3COC[C@H](C3)C2)c1 2336041373 NKQWNHYZWPWYIG-WYADAEROSA-N 480.240 6.527 50 10 JKGE Brc1ccc(OCc2ccccc2)c([C@@H](Br)[C@H]2CCn3nccc3C2)c1 2336056814 LYTBKZCBCIRHIO-KKSFZXQISA-N 476.212 5.923 50 10 JKGE Clc1cc(I)c([C@H](Br)[C@H]2C[C@@H]3CCCCCC[C@@H]32)s1 2338560441 LIUUQCFMSPBVGX-AYGWYOGXSA-N 473.645 7.049 50 10 JKGE COc1c(Br)cc(C)c([C@H](Br)[C@H]2CCCOC2)c1Br 2339639017 HUEFMXYDMBAISS-JOYOIKCWSA-N 457.000 5.391 50 10 JKGE Cc1cc(Br)c(F)c(Br)c1[C@H](Br)[C@H]1CCC(F)(F)C1 2339657989 DIMRXEDDODEOMI-OIBJUYFYSA-N 464.945 6.531 50 10 JKGE Clc1ccc(CN2CC3(CC[C@H]2CBr)CC3)c(I)c1 2341031500 BPFFCNOCIDZCGO-ZDUSSCGKSA-N 454.577 5.084 50 10 JKGE CC(C)(C)C1CC(CCl)(Cc2ccc(I)c(Br)c2)C1 2349839316 GQTQEICEEUZULR-UHFFFAOYSA-N 455.605 6.278 50 10 JKGE Cc1ccc([C@@H](Br)CCc2ccc(I)c(Br)c2)cc1 2349855379 QSDCTSZOEZDDGQ-AWEZNQCLSA-N 494.008 6.431 50 10 JKGE CC(C)(C)[C@@H]1C[C@H]1CO[C@@](C)(CI)c1ccccc1Br 2357851552 RGHNUYLJVTWVME-QEORTHHSSA-N 451.186 5.798 50 10 JKGE Cc1cc(Br)c(F)c(Br)c1[C@@H](Br)C[C@H]1CCCC1(F)F 2365187789 DPNULDQBVRBMBM-BDAKNGLRSA-N 478.972 6.921 50 10 JKGE CN(Cc1c(Br)cccc1Br)c1ccc(CCl)cc1Br 2366185442 VMBSJRUYHNUBSN-UHFFFAOYSA-N 482.441 6.349 50 10 JKGE CC(C)(C)Oc1ccc([C@@H](Cl)c2cc(I)sn2)cc1Br 2381313961 DVMRYAXNOZVCMD-CYBMUJFWSA-N 486.600 6.016 50 10 JKGE N#C/C(=C/c1ccccc1)C(=O)Oc1ccc2c(=O)c(-c3ccc(Cl)cc3Cl)coc2c1 1777148 MYSYAJSZFXFVBV-YBEGLDIGSA-N 462.288 6.279 50 10 JKGE Cc1cc([C@@H]2C(C#N)=C(N)N(c3ccccc3Cl)C3=C2C(=O)C[C@@H](c2ccccc2)C3)c(C)s1 9981957 RQHDIHDEIMWWRF-AFMDSPMNSA-N 486.040 6.717 50 10 JKGE O=C(COc1ccc(Br)cc1Cl)N/N=C/c1cccc(Oc2ccccc2)c1 14014948 PHDICFZCLRWDAE-ZMOGYAJESA-N 459.727 5.424 50 10 JKGE COc1cc(/C=C(/C#N)c2ccc(Cl)cc2)ccc1OC(=O)c1ccc(-n2cccc2)cc1 31902193 OMHQADMQXWHDIA-JWGURIENSA-N 454.913 6.423 50 10 JKGE CCOC(=O)c1c(-c2ccc(Br)cc2)csc1NC(=O)/C(C#N)=C\c1ccccc1 34829293 KZTJMZBDSAIWFL-ATVHPVEESA-N 481.371 5.900 50 10 JKGE CCOC(=O)c1c(NC(=O)/C(C#N)=C/c2ccc3noc(-c4ccccc4)c3c2)sc(C)c1C 35515985 KFIDGQNENVGSTD-XDHOZWIPSA-N 471.538 5.896 50 10 JKGE CC(C)c1ccc(O[C@@H](C)C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@H]3c2cccc(F)c2)cc1 38678323 JHIFBFRLVAWOQO-QLXKLKPCSA-N 472.516 5.540 50 10 JKGE CCOc1cccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)COc4ccc(Cl)c(C)c4)ccc32)c1 38684936 MTCYODSZSGJBAQ-SANMLTNESA-N 490.943 5.250 50 10 JKGE N#C/C(=C\c1ccc2noc(-c3ccccc3)c2c1)C(=O)Nc1cc(C(F)(F)F)ccc1Cl 39884856 ZANOZCUPVIXWJB-MHWRWJLKSA-N 467.834 6.713 50 10 JKGE CCOc1ccc(NC(=O)/C(C#N)=C/c2ccc(OCc3ccccc3Cl)c(OCC)c2)cc1 40006649 AISKSICVEPGPSB-RCCKNPSSSA-N 476.960 6.262 50 10 JKGE CC(C)c1ccc(Oc2ncnc(NNC(=O)C(c3ccccc3)c3ccccc3)c2N)cc1 40727487 QDXQIGCZAWOORN-UHFFFAOYSA-N 453.546 5.250 50 10 JKGE Cc1ccc(C(C)C)c(OC(=O)c2oc3c(c2C)/C(=N/NC(=O)c2cccc([N+](=O)[O-])c2)CCC3)c1 40813076 JHOIMRWTHYRSQB-SGWCAAJKSA-N 489.528 5.618 50 10 JKGE O=C(N/N=C/c1ccc(-c2cc([N+](=O)[O-])ccc2Cl)o1)c1cc(-c2ccccc2)nc2ccccc12 58840227 LTXOALLJJMGQEQ-MUFRIFMGSA-N 496.910 6.487 50 10 JKGE COc1cc(/C=C(/C#N)C(=O)Nc2ccc([N+](=O)[O-])cc2)cc(Cl)c1OCc1ccc(Cl)cc1 96401930 QLYNBNVQJPXWNU-YVLHZVERSA-N 498.322 6.035 50 10 JKGE COc1ccc(-n2c(CCl)nc3cc(I)ccc32)cc1Br 97355399 ASFYMFGRTYIKCA-UHFFFAOYSA-N 477.527 5.140 50 10 JKGE CCCCCCCC(O)(CCCCCCC)C(=O)NN(C(=O)/C=C/c1ccccc1)c1ccccc1 97997067 PQSZCIWHEBVPNJ-WCWDXBQESA-N 492.704 7.216 50 10 JKGE N#C/C(=C/c1cn(Cc2ccc(Cl)cc2)c2ccccc12)C(=O)Nc1nc2ccccc2s1 102443707 OOMUCGYSIRXSAW-AQTBWJFISA-N 468.969 6.498 50 10 JKGE CCCCCCCCCCOc1ccc(C(=O)N/N=C/c2ccc3cc4ccccc4cc3c2)cc1 103723619 ZMONCNALAGOTCK-IWBSIUBASA-N 480.652 8.276 50 10 JKGE Cc1ccc(S(=O)(=O)N[C@@H](CCc2ccccc2)P(=O)(c2ccccc2)c2ccccc2)cc1 106875170 IDYLSMYLCOIPDR-MUUNZHRXSA-N 489.577 5.246 50 10 JKGE CC1(C)Cc2cc([C@H](Br)c3cc(Br)c(Br)s3)ccc2O1 128561142 QDSLMDCEJNQGGQ-ZDUSSCGKSA-N 481.047 6.471 50 10 JKGE Cc1cc([C@H](Br)c2cc(Br)c(Br)s2)ccc1Cl 138409240 ADTQVHIFBNYHCY-NSHDSACASA-N 459.428 6.719 50 10 JKGE COc1ccc(/C=N/NC(=O)c2ccc3[nH]c(-c4ccccc4Cl)nc3c2)c(Cl)c1O 169926711 VIPXBNUMYHYXSJ-OPEKNORGSA-N 455.301 5.015 50 10 JKGE COc1cc(/C=C\C(=O)Oc2ccc(/C=C/C#N)cc2OC)ccc1OCc1ccccc1C 207196618 PWCRPOPWBPCPIA-UKQWPSSASA-N 455.510 5.747 50 10 JKGE CC(=O)N(C(=O)/C(C#N)=C\Nc1ccc(-c2nc3ccc(C)cc3s2)cc1)c1ccc(N)cc1 216935492 XPDLLNNEDODXSH-CYVLTUHYSA-N 467.554 5.253 50 10 JKGE COc1ccc(Br)cc1[C@@H](Br)c1cccc(Br)c1F 234842597 ZCJHUNBZEIJSIO-ZDUSSCGKSA-N 452.943 5.844 50 10 JKGE N#CC(=C1CCN(C(=O)OCc2ccccc2)CC1)c1ccc(I)cc1 310008143 IVKZMHRIBVVIJL-UHFFFAOYSA-N 458.299 5.001 50 10 JKGE Fc1ccc(C(CBr)(CBr)Cc2ncccc2Br)cc1 312724034 RUJSGAYCDLWRPZ-UHFFFAOYSA-N 465.986 5.254 50 10 JKGE FC(F)(F)Oc1cccc([C@H](Br)c2cc(Br)c(Cl)s2)c1 312801224 IUXBJVFMFVVTMA-JTQLQIEISA-N 450.501 6.547 50 10 JKGE Clc1cc(Oc2cccc(Br)c2CBr)ccc1Br 313518949 JMTAFTRUENQKND-UHFFFAOYSA-N 455.371 6.552 50 10 JKGE Fc1ccc(Br)c([C@@H](Br)c2c(Br)cc(F)c(F)c2F)c1 398742687 RKBFWAXVOROYAO-LLVKDONJSA-N 476.887 6.252 50 10 JKGE CC(C)(C)[Si](C)(C)OCCc1ccc([C@@H]2COCCN2S(=O)(=O)c2ccccc2)cc1 616642386 IXWQTRSMUWWWMZ-QHCPKHFHSA-N 461.700 5.013 50 10 JKGE COc1c(C)cc(Br)c(C)c1[C@@H](Br)c1ccsc1Br 698578386 YUPPFJUTKJOAQF-LBPRGKRZSA-N 469.036 6.383 50 10 JKGE Cc1ncc(COc2c(Br)cc(Br)cc2CBr)s1 718962501 UDIAMAVQLXALDU-UHFFFAOYSA-N 455.997 5.450 50 10 JKGE O=C(NN=Cc1cccc(Oc2ccccc2)c1)c1ccc(NC(=O)c2ccc(F)cc2)cc1 1082753831 OSEOYLYLFCKSGW-UHFFFAOYSA-N 453.473 5.634 50 10 JKGE CCOc1cc(C=NNC(=O)c2ccccc2Br)ccc1OCc1ccc(C#N)cc1 1083920132 GVFFGRIDKPTTAG-UHFFFAOYSA-N 478.346 5.062 50 10 JKGE CCOc1ccc(C(=O)NN=Cc2cc(Cl)ccc2OCc2ccc(Br)cc2)cc1 1084170456 DZCPJDZAFBJENA-UHFFFAOYSA-N 487.781 5.844 50 10 JKGE COc1ccc(C(=O)NN=C2CCCc3oc(C(=O)Oc4ccc5ccccc5c4)c(C)c32)cc1 1772745455 AKMGLEUNPTVGLK-UHFFFAOYSA-N 468.509 5.439 50 10 JKGE CC(C)(C)c1ccc(OCCOc2cccnc2NC(=O)Nc2ccc(SC#N)cc2)cc1 1858856988 BXXBVPXINQQZLV-UHFFFAOYSA-N 462.575 6.054 50 10 JKGE CCc1nn(Cc2c(F)cccc2Cl)c2c1[C@H](c1cccc3ccccc13)C(C#N)=C(N)O2 1865682418 NYWUJTAGKRDYQE-HSZRJFAPSA-N 458.924 5.658 50 10 JKGE CCc1nn(Cc2ccccc2Cl)c2c1[C@H](c1ccc(Cl)cc1Cl)C(C#N)=C(N)O2 1865686138 RDXJBTKZXXQLDF-LJQANCHMSA-N 459.764 5.672 50 10 JKGE CCCCOc1ccc([C@@H]2C(C#N)=C(N)Oc3c2c(C)nn3-c2ccc(Cl)cc2)cc1OCC 1865687367 PQWKTPRBKHARCW-XMMPIXPASA-N 478.980 5.630 50 10 JKGE CCCCCCOc1ccc([C@H]2C(C#N)=C(N)Oc3c2c(CCC)nn3CCC)cc1OC 1865696764 QXVZOXUEXRVOGD-QHCPKHFHSA-N 452.599 5.431 50 10 JKGE CCn1nc(-c2ccccc2)c2c1OC(N)=C(C#N)[C@@H]2c1ccc(OCc2ccccc2C)cc1 1865703419 VJYKNVZDIZQFSK-VWLOTQADSA-N 462.553 5.676 50 10 JKGE N#CC1=C(N)Oc2c(c(-c3ccccc3)nn2-c2cccc(Cl)c2)[C@@H]1c1ccccc1C(=O)O 1865703599 CHBKPESURMBKBB-OAQYLSRUSA-N 468.900 5.109 50 10 JKGE C[C@H]1CN(c2cc(Nc3ccc(SC#N)cc3)nc(-c3ccccc3)n2)C[C@H](c2ccc(F)cc2)O1 1868364607 ARKHXJLXTCKDDC-UQBPGWFLSA-N 497.599 6.566 50 10 JKGE COc1cc(/C=C(\C#N)c2nc(O)c3ccccc3n2)ccc1OCc1c(Cl)cccc1Cl 1872726854 RBBJMMPWESEMQU-LFIBNONCSA-N 478.335 6.294 50 10 JKGE CCCCCCCCCOc1ccc(/C=C(\C#N)c2cc3c(cc2[N+](=O)[O-])OCCO3)cc1OC 1872728403 ADHHXOUCQMIORD-RCCKNPSSSA-N 480.561 6.568 50 10 JKGE COc1cccc(/C=C(\C#N)c2cc3c(cc2[N+](=O)[O-])OCCO3)c1OCc1c(F)cccc1Cl 1872728817 VTDWSYLBLFABNE-MHWRWJLKSA-N 496.878 5.810 50 10 JKGE CC(C)(C)c1ccc(-c2csc(/C(C#N)=C(\O)CCCOc3ccc4ccccc4c3)n2)cc1 1872750336 BXCILGNBMXPVDL-RFBIWTDZSA-N 468.622 7.913 50 10 JKGE COc1cc(/C=C(\C#N)c2nc(-c3c[nH]c4ccccc34)cs2)ccc1OC(=O)c1ccccc1 1872791797 SJXRNSUROFKHFI-DEDYPNTBSA-N 477.545 6.583 50 10 JKGE COc1ccc(-c2csc(/C(C#N)=C/c3cc(Br)cc(OC)c3O)n2)c(C)c1C 1872793204 NGNDKRDFKPHUDF-VIZOYTHASA-N 471.376 5.976 50 10 JKGE COc1cc(/C=C(\C#N)c2nc(-c3cc(Cl)c(OC)c(Cl)c3)cs2)cc(Cl)c1O 1872794615 MKBNABYKZVVYJZ-KGVSQERTSA-N 467.761 6.557 50 10 JKGE COCCC1(COc2c(Br)cc(Br)cc2CBr)CC1 1882354647 JQWXKUNOTOEYFB-UHFFFAOYSA-N 457.000 5.302 50 10 JKGE C[C@]1(n2c(CCCl)nc3c(Br)cc(F)cc32)CCN(Cc2ccccc2)C1 1912662733 BSVSQRIEFZHDMK-NRFANRHFSA-N 450.783 5.340 50 10 JKGE C[C@@H](c1cccs1)N(Cc1ccccc1)c1ccc(CBr)c(Br)c1 1914894801 KSSJWULQVCUSDD-HNNXBMFYSA-N 465.254 7.173 50 10 JKGE COc1cccc(Br)c1C(=O)N(Cc1ccccc1)[C@H](CBr)C(C)C 1915302103 LIXJSJAPGHODJP-QGZVFWFLSA-N 469.217 5.520 50 10 JKGE FC(F)(F)c1cccc([C@@H](Cl)c2c(Br)sc(Br)c2Cl)c1 1923050334 SXOBLVYFCQIABR-MRVPVSSYSA-N 468.947 7.274 50 10 JKGE CCC(C)(C)C[C@@H](Cl)c1c(Br)sc(Br)c1Br 1924607902 AQLIKGVYZQSLCV-ZCFIWIBFSA-N 453.465 7.142 50 10 JKGE Clc1sc(Cl)c([C@@H](Br)c2csc(I)c2)c1Cl 1925572215 BUOKRQKHQBYGHM-LURJTMIESA-N 488.424 6.859 50 10 JKGE Cc1csc([C@H](Cl)c2cc(Br)c(Br)s2)c1Br 1939884405 ZWDLGIFDHLTBPM-MRVPVSSYSA-N 465.457 6.734 50 10 JKGE FC(F)(F)[C@@H]1C[C@@H]1C[C@H](Br)c1cc(Br)c(Br)s1 2012965596 UJKMBGOPJNPXHR-PBXRRBTRSA-N 456.947 6.298 50 10 JKGE Fc1cc(F)c([C@@H](Br)c2csc(Br)c2Br)cc1F 2032959166 VXMYASXPVKCTIB-SECBINFHSA-N 464.926 6.175 50 10 JKGE CCOc1cc(C=C(C#N)c2nc(O)c3c4c(sc3n2)C[C@@H](C)CC4)cc(Br)c1O 2040446624 JHCDEVZQICHYJY-NSHDSACASA-N 486.391 5.453 50 10 JKGE C[C@]1([C@H](Br)c2cc(Br)sc2Br)CCCCC1(F)F 2048988390 SOOXNRMFUBRHSL-MWLCHTKSSA-N 467.011 6.925 50 10 JKGE Cc1nn(C)c([C@H](Br)c2c(Cl)sc(Br)c2Cl)c1Br 2072302751 OFVYHCVPXMYKLQ-ZCFIWIBFSA-N 497.865 6.106 50 10 JKGE Clc1c(Br)sc(Br)c1[C@H](Br)[C@@H]1C[C@]12CCCOC2 2077423836 QKSUFRVWKZNGTH-ZQWFHOFHSA-N 479.459 6.179 50 10 JKGE Clc1cc([C@H](Br)c2ncn3ccsc23)ccc1I 2083981500 AZHMDBHBEHRHOF-JTQLQIEISA-N 453.530 5.138 50 10 JKGE COc1c(C)cc(Br)cc1[C@H](Br)c1sccc1Br 2085641688 GJCUIWSIEXRNGD-NSHDSACASA-N 455.009 6.074 50 10 JKGE Brc1ccc(Br)c([C@H](Br)[C@]23CCCC[C@@H]2CCC3)c1 2092627344 NZSDWFOCMVMFSC-RLCCDNCMSA-N 451.040 7.008 50 10 JKGE CCn1ncc(Br)c1[C@@H](Br)c1cc(F)c(Br)cc1F 2094271648 RAFYTUZQPDXZAT-NSHDSACASA-N 458.926 5.191 50 10 JKGE CCc1sc(Br)cc1[C@H](Br)c1cc(Cl)c(C)c(Br)c1 2111086240 GOPBUPGYJBGJPK-CQSZACIVSA-N 487.482 7.282 50 10 JKGE BrC[C@@]1(Cc2ccc(Br)cc2Br)CCCC12CCC2 2116999726 CEMUBWUKPCOVOT-INIZCTEOSA-N 451.040 6.490 50 10 JKGE Brc1ccc(CN2C[C@@H](Br)CCC23CCC3)c(Br)c1 2117906229 ZSMWAYCKECFLEF-ZDUSSCGKSA-N 452.028 5.494 50 10 JKGE Cc1cccc(C(CBr)(CBr)Cc2cnsc2Br)c1 2119234286 OSFVPTLVMDPRJE-UHFFFAOYSA-N 468.052 5.484 50 10 JKGE Brc1ccc(Br)c(C[C@H]2C[C@H](Br)CC3(CCC3)C2)c1 2127185122 FJRUKZOKWQHPOL-FZMZJTMJSA-N 451.040 6.488 50 10 JKGE BrC[C@H]1C[C@@H]2CC[C@H](C1)N2Cc1ccc(Br)cc1Br 2128152172 PMOYABLBNPTSBP-OJNYZHBWSA-N 452.028 5.350 50 10 JKGE COc1cc(Cl)c([C@H](Cl)c2cc(Br)c(Cl)s2)cc1Br 2137654573 IWPOWUIHZQCRAL-NSHDSACASA-N 465.421 6.917 50 10 JKGE CC[C@@H](CC(F)(F)F)[C@H](Br)c1ccc(Br)c(C)c1Br 2138847995 CCZNKLFDNLUHPL-UFBFGSQYSA-N 466.961 6.935 50 10 JKGE Cc1c(Br)ccc([C@H](Br)[C@H]2CCC[C@H](C)CC2)c1Br 2138874855 ZRSUWDJNFLJGOE-KNHMANMVSA-N 453.056 7.172 50 10 JKGE ClC[C@H](Cc1ccc(I)c(Cl)c1)c1ccccc1Br 2142940476 NWLMYVFEBBKAIS-NSHDSACASA-N 469.975 6.272 50 10 JKGE Clc1ccc([C@@H](Br)c2cc(Br)c3c(c2)CCO3)c(Br)c1 2146627376 JQODDEXXGMDNCB-AWEZNQCLSA-N 481.409 6.284 50 10 JKGE Cc1c(C)c(C)c([C@@H](Br)c2csc(Br)c2Br)c(C)c1C 2150342513 WTIGDDDOMDCCMR-AWEZNQCLSA-N 481.091 7.300 50 10 JKGE O=C(c1cc(Br)ccc1Br)N1[C@H]2CCC[C@H](Br)[C@H]1CC2 2154105780 IXKNYDXSFJEZEZ-LEWSCRJBSA-N 466.011 5.132 50 10 JKGE Fc1cc(Cl)c(Br)cc1[C@@H](Br)c1cc2c(s1)CCSC2 2154124890 VGIRWXCNKSTHJQ-CQSZACIVSA-N 456.627 6.577 50 10 JKGE Cc1csc([C@@H](Br)c2cc(Br)cc3c2OCCC3)c1Br 2157029046 GPXVQQJAOBNOKL-ZDUSSCGKSA-N 481.047 6.391 50 10 JKGE BrC[C@@]1(Cc2cccc(Br)c2Br)CCCCC12CCC2 2173612937 SBCZARQSHRLHPM-KRWDZBQOSA-N 465.067 6.880 50 10 JKGE CCCn1cc(S(=O)(=O)N(Cc2ccccc2)CC2CCCC2)cc1CBr 2179857749 DPKAARNWJQYWKL-UHFFFAOYSA-N 453.446 5.174 50 10 JKGE COc1ccc(S(=O)(=O)N(Cc2ccccc2)[C@@H](C)C(C)(C)C)cc1CBr 2179857855 FYGLXSARZGCRHE-INIZCTEOSA-N 454.430 5.216 50 10 JKGE FC(F)(F)c1cc(Cl)cc([C@H](Br)c2cc(Br)c(Cl)s2)c1 2200838524 STNZLHFJAQOYDT-JTQLQIEISA-N 468.947 7.321 50 10 JKGE Fc1ccc(Oc2c(Cl)cc(Br)cc2Cl)c(CBr)c1Cl 2203007230 LNALURFXQIQKJG-UHFFFAOYSA-N 463.355 7.236 50 10 JKGE COc1c(Br)cc(C)cc1[C@@H](Br)c1ccc(Cl)cc1Br 2203829746 KXNZWLIIUCBHGM-AWEZNQCLSA-N 483.425 6.666 50 10 JKGE FC(F)(F)[C@@H]1CC[C@H]1[C@@H](Br)c1sc(Br)cc1Br 2212877187 JOICAUPBHCPSPM-OKMMGKLZSA-N 456.947 6.298 50 10 JKGE Cc1c(Br)sc([C@H](Br)c2ccc(I)cc2)c1C 2213621835 ZELSSDMFKNRFLW-LLVKDONJSA-N 486.010 6.216 50 10 JKGE Cc1cc(Br)c([C@H](Br)c2cscc2F)c(C)c1Br 2220142688 AQUOQAPDBSNZHS-CYBMUJFWSA-N 457.000 6.513 50 10 JKGE Cc1oc(Br)cc1[C@@H](Cl)c1c(Br)cc(Cl)c(Cl)c1Cl 2224308057 SJDNLRTWHSUOTB-SNVBAGLBSA-N 467.799 7.401 50 10 JKGE CC[C@@H](CC(F)(F)F)[C@@H](Br)c1cc(Br)c(Br)cc1F 2225632950 GLECAOKFMPWROZ-UPONEAKYSA-N 470.924 6.765 50 10 JKGE Fc1ccc([C@@H](Br)c2cccc(Br)c2Br)c(F)c1F 2225917700 BBEPTPBGFZFSEL-JTQLQIEISA-N 458.897 6.113 50 10 JKGE Cc1cc(Br)c([C@H](Br)[C@@H]2C[C@H]3CCCC[C@@H]32)c(C)c1Br 2235615250 PICASMDBXJGRIY-IPJQOSJUSA-N 465.067 7.091 50 10 JKGE Cc1ccc(I)c(C(=O)Nc2ccc(Cl)cc2CBr)c1 2240922310 DJTBZLXUSICHPF-UHFFFAOYSA-N 464.528 5.400 50 10 JKGE C[C@@H](CCl)N(Cc1ccccc1)C(=O)Cc1cc(Br)cc(Br)c1 2245970029 ZDSHUUPSPINZDD-ZDUSSCGKSA-N 459.609 5.410 50 10 JKGE Clc1cccc([C@@H](Br)c2cc(Br)c(Cl)s2)c1Br 2248091227 NJXZELZYUUDYLE-SNVBAGLBSA-N 479.846 7.064 50 10 JKGE CCc1cc([C@@H](Cl)c2ccc(Cl)c(I)c2)sc1Br 2256337954 UPJXYYWWDMWJTF-LBPRGKRZSA-N 476.004 6.659 50 10 JKGE Clc1cc([C@@H](Br)c2cocc2Br)c(Cl)c(Cl)c1Cl 2258117263 KRIGLMXVQURPMI-MRVPVSSYSA-N 453.772 7.140 50 10 JKGE COc1c([C@@H](Br)c2c(Br)sc(Br)c2Cl)csc1C 2259123747 YENRUXUDJRCYAI-SSDOTTSWSA-N 495.483 6.789 50 10 JKGE Cc1cc([C@H](Br)Cc2cc(Br)cc(Br)c2)sc1Cl 2263450644 OJNBBNSMNQQXTF-LLVKDONJSA-N 473.455 6.914 50 10 JKGE Cc1nsc(Br)c1[C@@H](Br)c1cc2sc(Br)cc2s1 2263558311 FFCVITAUBGJIMO-JTQLQIEISA-N 488.089 6.737 50 10 JKGE Fc1cc([C@H](Cl)c2c(F)cccc2I)c(F)cc1Br 2267659077 JUWWYEMDAKNTLT-ZDUSSCGKSA-N 461.446 5.799 50 10 JKGE Fc1cccc(I)c1[C@H](Cl)c1cc(Br)c2c(c1)CCO2 2282904742 QHYJOHNCNMWJBV-CQSZACIVSA-N 467.503 5.456 50 10 JKGE COc1ccc([C@H](Br)[C@@H]2CC[C@H]3[C@@H](C2)C3(F)F)cc1I 2284997683 HSNANEHZHXNUAD-JMLLCIOISA-N 457.096 5.417 50 10 JKGE COc1ccc([C@@H](Br)c2ccc(OC)c(I)c2)cc1Cl 2284997946 OXWQNEYTRLFFCP-OAHLLOKOSA-N 467.528 5.446 50 10 JKGE Fc1cc(Br)c(F)c(Br)c1[C@H](Br)[C@H]1CCCC12CCC2 2288347711 XCMODDSLJMWGII-PRHODGIISA-N 472.993 6.896 50 10 JKGE O=C(CSc1nnc(-c2ccc(Cl)cc2)n1C1CCCCC1)NN=CC=Cc1ccco1 2293299555 XZXJZUMDRAAORR-UHFFFAOYSA-N 469.998 5.604 50 10 JKGE CCOc1cccc(NC(=O)C(C#N)=Cc2ccc(OCc3ccc(Cl)c(Cl)c3)c(OC)c2)c1 2294193475 SQSDKZOKHQKCCL-UHFFFAOYSA-N 497.378 6.525 50 10 JKGE Brc1cc(Br)cc(C[C@@H](Br)c2cc3c(s2)CCOC3)c1 2295346209 WRSJEWHFHVDISC-CYBMUJFWSA-N 481.047 6.025 50 10 JKGE CCCSc1ccc(-c2nn(-c3ccccc3)cc2C=C2C(=O)N(C)C(=O)C(C#N)=C2C)cc1 2295838589 CKPHUZXTIVRYDO-UHFFFAOYSA-N 468.582 5.263 50 10 JKGE N#CC(C(=O)Nc1ccc(Cl)c(Cl)c1)=C1S[C@@H](Cc2ccccc2)C(=O)N1c1ccccc1 2296500339 IKPPZFFCVXKFPV-QFIPXVFZSA-N 494.403 6.058 50 10 JKGE CCCCOc1cccc(NC=C(C#N)c2nc(-c3ccc(-c4ccccc4)cc3)cs2)c1 2296752688 LXOWCNLLKCYPIH-UHFFFAOYSA-N 451.595 7.633 50 10 JKGE Cc1cc(C)c(NC(SCc2ccc(Cl)cc2)=C(C#N)S(=O)(=O)c2ccccc2)c(C)c1 2297350155 BUHBPFTXCXUGIU-UHFFFAOYSA-N 483.058 6.777 50 10 JKGE N#CC(=Cc1ccccc1OCc1ccccc1)C(=O)Nc1ccc([N+](=O)[O-])cc1C(F)(F)F 2297551447 KSYICUIFZVDTCC-UHFFFAOYSA-N 467.403 5.738 50 10 JKGE N#CC(=Cc1ccc(-c2ccc(Br)cc2)o1)C(=O)Nc1cc([N+](=O)[O-])ccc1F 2297551639 WFPOUNXAEHMVDT-UHFFFAOYSA-N 456.227 5.302 50 10 JKGE C=CCc1cc(C=C(C#N)C(=O)Nc2ccc(C)cc2)ccc1OCc1cccc2ccccc12 2313566995 AIRAHAFGOWJPOO-UHFFFAOYSA-N 458.561 7.001 50 10 JKGE COc1ccc(C(=O)Oc2ccc(C=C(C#N)C(=O)Nc3cc(Cl)ccc3Cl)cc2OC)cc1 2313631960 ZULVMWJANBFMIC-UHFFFAOYSA-N 497.334 5.775 50 10 JKGE Brc1cc(OCc2ccccc2)ccc1[C@@H](Br)C[C@H]1CCC12CCC2 2314440715 RQKQHOHRFBRCLS-XLIONFOSSA-N 464.241 7.435 50 10 JKGE Fc1ccc(F)c([C@H](Br)c2ccc(OCc3ccccc3)cc2Br)c1 2314502186 GEAHIJRUFACQDA-HXUWFJFHSA-N 468.135 6.791 50 10 JKGE COc1ccc(C=CC(=O)Oc2ccc(C=C(C#N)c3nc(-c4ccco4)cs3)cc2)cc1 2314548656 NYZITXKNBSSPAX-UHFFFAOYSA-N 454.507 6.095 50 10 JKGE Cc1ccc(N2C(=O)[C@H](Cc3ccccc3)SC2=C(C#N)C(=O)Nc2ccccc2)cc1C 2314591876 GRHRKXNUXKZPKQ-DEOSSOPVSA-N 453.567 5.368 50 10 JKGE CCO[C@@H]1C[C@H]1[C@@H](Br)c1c(Cl)cc(Br)c(F)c1Br 2315436004 IVLQYSXKBXEZJH-DPKJLXEKSA-N 465.382 5.865 50 10 JKGE COc1cc(Cl)c([C@H](Br)c2cnsc2Br)cc1Br 2315645464 QDICMYVWTAHWKK-JTQLQIEISA-N 476.415 5.814 50 10 JKGE Cc1cc(Br)c(C)c([C@H](Cl)c2cnsc2Br)c1Br 2315646515 VEGROBBCFSDWOU-LLVKDONJSA-N 474.443 6.376 50 10 JKGE CCCc1sc(Br)cc1[C@@H](Cl)c1scc(Br)c1Br 2316180180 NCVJZUATZVQDEL-LLVKDONJSA-N 493.511 7.378 50 10 JKGE COc1cc([C@@H](Cl)c2sc(Cl)cc2I)ccc1Br 2316766257 FELMGWHTRWDZCQ-LLVKDONJSA-N 477.976 6.105 50 10 JKGE CC12CC([C@@H](Br)c3sc(Cl)cc3I)(C1)C(C)(C)O2 2316771100 JTUNVQHZBWSGNI-PKSQDBQZSA-N 461.590 5.790 50 10 JKGE Clc1ccc([C@H](Cl)Cc2ncccc2Br)c(I)c1 2317742692 DOJZDTBGQLKFTD-LLVKDONJSA-N 456.936 5.625 50 10 JKGE Brc1cc(C[C@@H]2CCCCCC[C@@H]2Br)ccc1I 2325175686 PGXRDHUDDYZWTE-STQMWFEESA-N 486.029 6.330 50 10 JKGE CC1(C)CC[C@@H](Br)[C@@H](Cc2ccc(I)c(Br)c2)C1 2325188900 ILZVBDDJNLBNSD-NWDGAFQWSA-N 486.029 6.186 50 10 JKGE COc1cc(C=C(C#N)c2nc3cc(C)ccc3n2C)ccc1OCc1ccc(Br)cc1 2331018619 XKHFDCUZGSVLDP-UHFFFAOYSA-N 488.385 6.296 50 10 JKGE CCc1ccc(-c2csc(C(C#N)=C(O)C(=Cc3ccc(OC)cc3)c3ccccc3)n2)cc1 2331245793 UXPOEXHQBFLBJC-UHFFFAOYSA-N 464.590 7.415 50 10 JKGE COc1c(C)cc(C)cc1-c1csc(C(C#N)=C(O)Cc2ccc(OCc3ccccc3)cc2)n1 2331370192 KXJQUADPJUORKN-UHFFFAOYSA-N 482.605 7.050 50 10 JKGE Cc1ccc(C(C)(C)C)cc1-c1csc(C(C#N)=C(O)c2ccc(N(C)C)c([N+](=O)[O-])c2)n1 2331396947 QLJGPZQJFZTXKS-UHFFFAOYSA-N 462.575 6.340 50 10 JKGE CC[C@H](Br)[C@@H]1CCCCN1Cc1ccc(Cl)c(I)c1 2337230733 WNYIYHFERCTWND-WFASDCNBSA-N 456.593 5.473 50 10 JKGE ClC[C@]1(Cc2ccc(I)c(Br)c2)CCO[C@H]1C1CC1 2349841896 LLVDNHFTKHMRQJ-LSDHHAIUSA-N 455.561 5.020 50 10 JKGE FC[C@]12C[C@]([C@H](Cl)c3c(Cl)cc(Br)c(F)c3Br)(CO1)C2 2362240053 ZUWYBRZFGUGEAN-JHJVBQTASA-N 450.932 5.803 50 10 JKGE CC1(C)COC[C@@H]1CC(CBr)(CBr)c1cccc(Br)c1 2364396865 HRRUQTWAFTVKBG-ZDUSSCGKSA-N 469.055 5.539 50 10 JKGE Clc1ccc([C@H](Br)Cc2nc3ccccc3s2)c(I)c1 2365559454 TUYLMNCPVMPJBR-LLVKDONJSA-N 478.580 6.233 50 10 JKGE COc1c(Cl)cc(COC2(CBr)CCN(C(=O)OC(C)(C)C)CC2)cc1Cl 2365590504 HIWDJNGHVJBVRR-UHFFFAOYSA-N 483.230 5.683 50 10 JKGE Cc1scc([C@H](Br)c2cc(Br)cc3c2OCCC3)c1Br 2369584838 DJMFGNLPDTVLIC-CQSZACIVSA-N 481.047 6.391 50 10 JKGE Fc1cc(OCc2c(Br)cccc2Br)cc(Cl)c1CBr 2379783810 QIPJZPFCKVJYQL-UHFFFAOYSA-N 487.388 6.478 50 10 JKGE CCOC(=O)c1ccc(NC(=O)/C(C#N)=C\c2ccc(OCc3ccc(F)cc3)c(OCC)c2)cc1 2774392 VKUDGVXAYDJQLD-JCMHNJIXSA-N 488.515 5.526 50 10 JKGE COc1cccc(/C=N/NC(=O)CSc2nc3ccccc3[nH]2)c1OCc1ccccc1Cl 32520659 XOJCXSUBKCRNEQ-LGJNPRDNSA-N 480.977 5.046 50 10 JKGE CCOC(=O)/C(C#N)=C1/S[C@H](Cc2ccc(Cl)cc2Cl)C(=O)N1c1ccc(C)cc1 33729349 BZOWRJSFLOHFJE-OXMAITBSSA-N 461.370 5.291 50 10 JKGE CCCOc1cccc(-c2nn(-c3ccccc3)cc2/C=C(/C#N)C(=O)NCc2ccccc2)c1 35446620 XDKDCGPGKIQLQK-ULJHMMPZSA-N 462.553 5.551 50 10 JKGE COc1ccc(-c2nn(-c3ccccc3)cc2/C=C(\C#N)c2nc(O)c3ccc(C)cc3n2)cc1 35518842 OQJPJDWGXDXKPZ-HMMYKYKNSA-N 459.509 5.569 50 10 JKGE COc1cc(CBr)cc(Br)c1OCc1cc(Br)ccc1F 36815540 OMDSLXBPMSIBNF-UHFFFAOYSA-N 482.969 5.833 50 10 JKGE CCOc1c(Cl)cc(C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@H]3c2ccc(C)o2)cc1Cl 38659288 DMUOMGHXOJNEHF-NRFANRHFSA-N 485.323 5.731 50 10 JKGE COc1ccccc1C(=O)Oc1ccc2c(c1)OC(N)=C(C#N)[C@H]2c1c(Cl)cccc1Cl 38679500 UDANMIKSGOQMLA-NRFANRHFSA-N 467.308 5.439 50 10 JKGE CCCOc1cccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)Cc4ccc(Cl)cc4)ccc32)c1 38684502 UXPQYBYWECLIIF-SANMLTNESA-N 474.944 5.495 50 10 JKGE C=CCOc1cccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)COc4c(C)cccc4C)ccc32)c1 38684556 SHPKMCMCUYHIJP-HHHXNRCGSA-N 482.536 5.071 50 10 JKGE CCc1ccc2oc(C(=O)Oc3ccc4c(c3)OC(N)=C(C#N)[C@H]4c3ccc(OC)cc3)c(C)c2c1 38687397 IMHUZVFRLNTQFO-SANMLTNESA-N 480.520 5.750 50 10 JKGE CCOc1ccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4oc5ccc(F)cc5c4C)ccc32)cc1 38701403 ZMZYMVQWCPDYED-VWLOTQADSA-N 484.483 5.716 50 10 JKGE Cc1ccccc1C(=O)N/N=C1\CCCc2oc(C(=O)Nc3ccc(Oc4ccccc4)cc3)c(C)c21 40811455 VQZWELYYTAASMM-WGPBWIAQSA-N 493.563 6.411 50 10 JKGE CCCCNC(=O)/C(C#N)=C/c1ccc(OC(=O)CCCOc2ccc(C(C)(C)C)cc2)c(OC)c1 40990096 NPAJWLFBUQGNHY-RELWKKBWSA-N 492.616 5.581 50 10 JKGE O=C(CC[C@H](O)c1ccccc1)N/N=C\c1cc(Br)ccc1OCc1cccc(F)c1 58892489 MYZAEHGUWXGLKJ-CHVMBPBASA-N 485.353 5.131 50 10 JKGE O=C(CCCC(=O)Nc1ccc(Br)cc1)N/N=C/c1cccc(Cl)c1Cl 59505983 BDACPXLMVBEFLY-SSDVNMTOSA-N 457.155 5.015 50 10 JKGE N#C/C(=C/c1ccccc1OCc1ccc(Br)cc1)S(=O)(=O)c1ccc(Cl)cc1 103761971 RLDTWJRJERNRAY-BKUYFWCQSA-N 488.790 6.020 50 10 JKGE Cc1ccc(C)c(N/C(SCc2c(F)cccc2Cl)=C(\C#N)S(=O)(=O)c2ccccc2)c1 104689459 UEJPDMSMTHKMBP-VHXPQNKSSA-N 487.021 6.608 50 10 JKGE COc1cc(C)c(Br)cc1[C@H](Cl)c1ccc(I)cc1 115070039 HDLGZEIWBIAERG-OAHLLOKOSA-N 451.529 5.699 50 10 JKGE Fc1ccc(CC(CBr)(CBr)c2ccccc2)c(Br)c1 118876560 XSFMRNRBELPIQE-UHFFFAOYSA-N 464.998 5.859 50 10 JKGE CCCCCCCCC[C@@H](Br)c1cc(Br)c(Br)s1 128242913 OYETYXABFOPRRV-LLVKDONJSA-N 461.101 7.850 50 10 JKGE Cc1cc(Br)c([C@@H](Br)c2cc(Cl)ccc2F)cc1Br 128823898 DJQJJYAYFMYYEQ-CQSZACIVSA-N 471.389 6.797 50 10 JKGE COc1cc([C@H](Br)c2cc(Br)c(Br)s2)ccc1F 147924797 YIONFHRTIDUHKN-NSHDSACASA-N 458.972 5.905 50 10 JKGE Fc1cc([C@@H](Br)c2ccc(Br)c(Cl)c2)c(F)cc1Br 148979735 UWSBQMUBXKRRDS-ZDUSSCGKSA-N 475.352 6.628 50 10 JKGE CC[C@@H](N/C=C(/C#N)C(=O)Nc1ccc(I)cc1C)c1ccc2c(c1)CCCC2 217253834 DZNWKEBROLWFHU-MNJKBJKMSA-N 499.396 5.565 50 10 JKGE Fc1c(Br)cccc1[C@H](Br)c1cc(Br)c(Cl)s1 236128386 RUKPXDMJVKIBMZ-VIFPVBQESA-N 463.391 6.550 50 10 JKGE CCN(CC)c1ccc(C=NNC(=O)/C(=C/c2cccs2)NC(=O)c2ccccc2Cl)cc1 252622199 NQOMCDLUMGAHKI-WCYATWDFSA-N 481.021 5.169 50 10 JKGE Cc1nn(-c2ccccc2)c(N(C2CCCCC2)C2CCCCC2)c1/C=N/NC(=O)C(C)(C)C 253577437 XBPCLHFQJUAMRI-ZTKZIYFRSA-N 463.670 6.149 50 10 JKGE CCOC(=O)[C@@H]1CCC(=NNC(=O)CSc2cc(C)c(Br)cc2C)C(CC)=C1C 254290660 MXPUOQOVFHBHAO-QGZVFWFLSA-N 481.456 5.330 50 10 JKGE Cc1cccc(C(=O)Oc2ccc3ccccc3c2C=NNC(=O)COc2ccc3ccccc3c2)c1 254516431 VJNUCNJITAUXMW-UHFFFAOYSA-N 488.543 6.050 50 10 JKGE COc1ccc(NC(=O)/C(C#N)=C/c2cn(Cc3ccc(Cl)cc3)c3ccccc23)c([N+](=O)[O-])c1 254606614 BQQIVRHTRWWNHP-LDADJPATSA-N 486.915 5.805 50 10 JKGE Clc1cc([C@@H](Br)c2cc(Br)c(Br)s2)cs1 307585841 NJEZFQCJAGDAGQ-MRVPVSSYSA-N 451.430 6.472 50 10 JKGE C[C@H](C[C@@H](Br)c1cc(I)cc2c1OCC2)CC(C)(C)C 383265817 CGCQLGQRJWYJJN-IAQYHMDHSA-N 451.186 6.125 50 10 JKGE Fc1ccc(Cl)c([C@@H](Br)c2scc(C(F)(F)F)c2Br)c1 383344027 XJWPBZBIPXEOBE-SECBINFHSA-N 452.492 6.806 50 10 JKGE C[C@H](Cl)c1nc2cc(I)c(F)cc2n1[C@@H](C)COCc1ccccc1 390531198 IRCLNSWCKYVOEO-STQMWFEESA-N 472.729 5.858 50 10 JKGE Fc1cc(Br)c([C@@H](Cl)c2cc(Br)ccc2Br)c(F)c1F 398470665 PCBQAFHNTDBDPC-NSHDSACASA-N 493.342 6.720 50 10 JKGE Cc1cc(C)c([C@@H](Br)c2c(Br)cnn2C)c(C)c1Br 693069516 FFCPQHGIZXEHFO-CYBMUJFWSA-N 451.000 5.355 50 10 JKGE Cc1sc([C@H](Br)c2cccc(Br)c2C)c(C)c1Br 724927790 HPRVANTWCDSFRC-CYBMUJFWSA-N 453.037 6.683 50 10 JKGE N#C/C(=C/c1ccccc1OCc1ccc(Cl)c(Cl)c1)C(=O)Nc1ccc(Cl)c(Cl)c1 1084119792 JWWQDRNKJHIJTM-YBEGLDIGSA-N 492.189 7.425 50 10 JKGE CCn1c(SCCCC(=O)NN=Cc2cccc(Oc3ccccc3)c2)nc2ccccc21 1084436233 HSOQDQJJOKXOEN-UHFFFAOYSA-N 458.587 5.871 50 10 JKGE N#CC1=C(N)Oc2c(c(-c3ccccc3)nn2-c2ccc(Cl)c(Cl)c2)[C@H]1c1ccccc1 1865680492 MLZYHQKDEHGJEL-NRFANRHFSA-N 459.336 6.064 50 10 JKGE CC(C)(C)c1ccc([C@@H]2C(C#N)=C(N)Oc3c2c(C(F)(F)F)nn3Cc2ccccc2)cc1 1865682099 FYVSCRYKLASVFC-LJQANCHMSA-N 452.480 5.466 50 10 JKGE N#CC1=C(N)Oc2c(c(C(F)(F)F)nn2Cc2cccc(Cl)c2)[C@H]1c1cccc2ccccc12 1865682864 ZCXJOGKIFYSOAV-FQEVSTJZSA-N 480.877 5.975 50 10 JKGE CCCc1nn(Cc2cccc(F)c2)c2c1[C@@H](c1c(OC)ccc3ccccc13)C(C#N)=C(N)O2 1865688468 SKGGWLNCCBXSHD-RUZDIDTESA-N 468.532 5.403 50 10 JKGE Cc1ccc(C)c(Cn2nc(-c3ccccc3)c3c2OC(N)=C(C#N)[C@H]3c2cc(Cl)ccc2O)c1 1865690005 YWHNUYQKCYHQQG-XMMPIXPASA-N 482.971 5.792 50 10 JKGE CCCn1nc(-c2ccccc2)c2c1OC(N)=C(C#N)[C@@H]2c1ccc(OCc2ccccc2)cc1 1865690237 MEUQWPKJNRMFIH-VWLOTQADSA-N 462.553 5.757 50 10 JKGE COc1cc([C@@H]2C(C#N)=C(N)Oc3c2c(-c2ccccc2)nn3Cc2ccccc2)ccc1OC(C)C 1865696948 LVTMFIJHQTXTFA-AREMUKBSSA-N 492.579 5.612 50 10 JKGE COc1cc([C@H]2C(C#N)=C(N)Oc3c2c(-c2ccccc2)nn3Cc2ccc(Cl)cc2)ccc1O 1865706567 ZOMWMGPXLCBRTK-QHCPKHFHSA-N 484.943 5.184 50 10 JKGE CCOc1ccc(-c2csc(/C(C#N)=C(\O)c3ccc4c(c3)C(=O)N([C@H](C)CC)C4=O)n2)cc1 1872747599 LAFLUFBEPFMFCY-GJGNJIHCSA-N 473.554 5.553 50 10 JKGE CC[C@H](C)[C@H](NC(=O)OC(C)(C)C)C(=O)N/N=C/c1c(OCc2ccccc2)ccc2ccccc12 1873794597 QDXZTHRSFVOPEV-RGYZLQNXSA-N 489.616 5.808 50 10 JKGE CC(C)(CBr)N(Cc1ccccc1)Cc1ccc(Br)cc1Br 1915751288 RIBBKFCJALQYTK-UHFFFAOYSA-N 490.077 6.387 50 10 JKGE O=S(=O)(c1ccc(Br)cc1Cl)N(Cc1ccccc1)C1(CCl)CCC1 1915762476 KZCBKVXICHXWTI-UHFFFAOYSA-N 463.224 5.455 50 10 JKGE CN(Cc1c(F)ccc(Br)c1F)C[C@@H](Br)COCc1ccccc1 1916366924 OQQWXOBAOCTFKC-CQSZACIVSA-N 463.160 5.139 50 10 JKGE O=C(NCC1CCC(CBr)CC1)c1cc(Br)c(Br)s1 1922679937 JTBGGEDQTOZKNF-UHFFFAOYSA-N 474.056 5.204 50 10 JKGE Cc1c(Br)sc([C@H](Br)Cc2ccc(F)cc2F)c1Br 1922899932 FVHQZRJJCWMLKV-SECBINFHSA-N 474.990 6.538 50 10 JKGE FC1(F)CCC[C@@H]1C[C@H](Br)c1c(Br)sc(Br)c1Cl 1923063273 XJKULEKVGDTSQI-RITPCOANSA-N 487.429 7.188 50 10 JKGE Clc1c(Br)sc(Br)c1[C@H](Cl)[C@@H]1CCCc2ccccc21 1923066126 MAZHFZMTPVOSSU-ZYHUDNBSSA-N 455.042 7.327 50 10 JKGE CC1([C@H](Br)c2c(Br)sc(Br)c2Cl)CCCC1 1923068850 XLXALSSVQWKJQR-MRVPVSSYSA-N 451.449 6.943 50 10 JKGE COc1ccc(Br)cc1[C@H](Br)[C@H](C)c1ccncc1Br 1924039529 JPQFSUSBGKXUCS-RFAUZJTJSA-N 463.995 5.855 50 10 JKGE CC1(C)CC[C@@H]([C@H](Cl)c2c(Br)sc(Br)c2Br)C1 1924572576 ZYRRMOLZVZDHOV-MUWHJKNJSA-N 465.476 7.142 50 10 JKGE Cc1cc([C@@H](Cl)c2c(Br)sc(Br)c2Br)ccc1F 1924586159 UWUMIUZJGISZIY-SNVBAGLBSA-N 477.418 6.811 50 10 JKGE Fc1cc([C@@H](Br)c2c(Cl)sc(Br)c2Cl)cc(F)c1F 1925589603 LEENHGUBSQHDEY-SSDOTTSWSA-N 454.920 6.719 50 10 JKGE Clc1c(Br)sc(Br)c1[C@H](Br)[C@]12C[C@H](CO1)C2 1994621984 ISFANLWFBRZCHY-WXLWJSHRSA-N 451.405 5.542 50 10 JKGE CCc1sc(Br)cc1[C@H](Br)c1cc(Br)c(Cl)s1 2004902948 SFRKUMIKEDCKGN-JTQLQIEISA-N 479.484 7.035 50 10 JKGE C[C@H](C[C@@H]1CCCCN1C(=O)OC(C)(C)C)NCCSSCCNC(=O)OC(C)(C)C 2010827111 MFAGPMYPSYQLES-MSOLQXFVSA-N 477.737 5.050 50 10 JKGE CC(C)(C)OC(=O)NC[C@](C)(CI)O[C@@H]1CCC[C@@H]2CCCC[C@H]21 2022999590 VILJBTNZVIGODJ-MKSNKDDYSA-N 451.389 5.080 50 10 JKGE C[C@]12C[C@]([C@@H](Br)c3c(Br)sc(Br)c3Cl)(CO1)C2 2023845397 FGRJGOAFLLMPMY-SWPVVBRQSA-N 465.432 5.932 50 10 JKGE CCc1cc(Br)c([C@@H](Cl)c2ccc(F)cc2I)s1 2029239459 OXOYRYCHXZCISR-LBPRGKRZSA-N 459.549 6.145 50 10 JKGE Cc1sc(Br)cc1[C@@H](Br)c1ccc(F)c(Br)c1F 2034554284 DERSXIDPQTZCJC-JTQLQIEISA-N 460.963 6.344 50 10 JKGE Clc1c(Br)ccc(CBr)c1N1C[C@@H]2CCN(Cc3ccccc3)[C@@H]2C1 2068561143 FHQURBOAGDDLSF-FUHWJXTLSA-N 484.663 5.708 50 10 JKGE C[C@H](Br)[C@H](NCc1cccc(Br)c1Br)C(F)(F)F 2074716838 OZJBFEHXILWTEJ-WKEGUHRASA-N 453.922 5.016 50 10 JKGE COc1cc(F)c([C@H](Br)c2ccsc2Br)cc1Br 2082783171 XNYQDMXDWRBPQT-LLVKDONJSA-N 458.972 5.905 50 10 JKGE CC(C)(C)OC(=O)N1CCC[C@@]2(CCC[C@@H](CI)O2)C12CCCCC2 2083791634 QXZKAPFNEBEHEX-JXFKEZNVSA-N 463.400 5.463 50 10 JKGE CC(C)(C)OC(=O)N1CCC[C@](CBr)(OCc2ccc(F)cc2Br)C1 2085376859 WBBRYXUUXWULAI-GOSISDBHSA-N 481.200 5.269 50 10 JKGE O=C(c1csc(Br)c1Br)N1CC2(CC[C@@H]1CBr)CC2 2097881698 XPDGBOJPHXAXPS-MRVPVSSYSA-N 472.040 5.053 50 10 JKGE O=C(c1cc(Br)sc1Br)N1[C@H](CBr)C[C@@H]2CCC[C@@H]21 2108390429 AASZXAFGABKJNI-NRPADANISA-N 472.040 5.051 50 10 JKGE CCOc1cc(CBr)cc(Br)c1OCC1(Br)CCC1 2111881486 WGLWMMQIZWFMNY-UHFFFAOYSA-N 457.000 5.439 50 10 JKGE Fc1cc(Br)cc(F)c1C[C@@H](Br)c1ccccc1Br 2113447337 PRWALOJKSMVCPQ-GFCCVEGCSA-N 454.934 6.169 50 10 JKGE BrCC12CCC(CC1)N(Cc1c(Br)cccc1Br)C2 2122360103 SIMRGKGZCRIVGO-UHFFFAOYSA-N 452.028 5.351 50 10 JKGE BrCc1cc(Br)cc(Br)c1OCC12CCC(CC1)C2 2128537290 IGTJDLAOKDHTLL-UHFFFAOYSA-N 453.012 6.066 50 10 JKGE Cc1c(Br)ccc([C@@H](Br)C(F)(F)[C@H]2CCOC2)c1Br 2138849192 CVPYAQXMDKSWKD-QPUJVOFHSA-N 462.954 5.628 50 10 JKGE Cc1c(Br)ccc([C@H](Br)c2ccc(F)cc2Cl)c1Br 2138849456 DQUTYLBTXPOCQU-CQSZACIVSA-N 471.389 6.797 50 10 JKGE Cc1c(Br)ccc([C@H](Br)C[C@H]2C[C@@H]2C(F)(F)F)c1Br 2138851691 LIQIGTVFYAHXIN-POZPLHJXSA-N 464.945 6.545 50 10 JKGE Cc1c(Br)ccc([C@@H](Cl)Cc2ccc(Br)cc2)c1Br 2138865399 QQNAIZOISNFTQZ-AWEZNQCLSA-N 467.426 6.805 50 10 JKGE CC1(CC(CBr)(CBr)c2ccccc2Br)CCCCC1 2143855977 HHDGLOYHNBIYDV-UHFFFAOYSA-N 467.083 6.837 50 10 JKGE Cn1ncc(CC(CBr)(CBr)c2ccc(Br)cc2)c1Cl 2168231613 MNVTZGIBBXDEPT-UHFFFAOYSA-N 485.445 5.106 50 10 JKGE COc1ccc(C[C@@H](Br)c2cc(Br)ccc2Br)cc1F 2168405408 OFGNGUIRKRGHBC-CYBMUJFWSA-N 466.970 6.038 50 10 JKGE C[C@H]1CN(Cc2ccccc2)CC[C@@H]1n1c(CCl)nc2cc(Cl)c(Br)cc21 2169008610 GCNFWKOMBOMIHY-LIRRHRJNSA-N 467.238 6.274 50 10 JKGE Cc1nc([C@H](Br)c2cc(Br)cc3c2OCCC3)c(Br)s1 2169495990 QPRBAJXISKDYGU-LLVKDONJSA-N 482.035 5.786 50 10 JKGE C[C@H](c1cc(Br)cs1)N(C)c1cc(Br)cc(F)c1CBr 2186578052 RQALVVMEWLMGRE-MRVPVSSYSA-N 486.042 6.505 50 10 JKGE BrCc1cc(Br)c(OC[C@@H]2CC23CCOCC3)c(Br)c1 2198162224 JNZWDNNTDIFIHL-NSHDSACASA-N 469.011 5.302 50 10 JKGE COc1cc(Cl)c([C@@H](Br)c2ccc(F)cc2Br)cc1Br 2202353639 STWSWKQBLDVKLX-AWEZNQCLSA-N 487.388 6.497 50 10 JKGE COCC12CC([C@H](Br)c3cc(Br)c(C)cc3Br)(CO1)C2 2206083811 RGHRPVKOJCGDIX-WLYUNCDWSA-N 469.011 5.152 50 10 JKGE Fc1cc(Br)c(Br)cc1[C@H](Br)c1occc1Br 2213490857 XPCFKMYYPYLIFM-JTQLQIEISA-N 491.774 6.191 50 10 JKGE COc1sc([C@@H](Br)c2cc(Br)c(C)s2)cc1Br 2213746949 QSQQNHSGBJNWCS-JTQLQIEISA-N 461.038 6.136 50 10 JKGE Clc1cc(Br)ccc1C[C@H](Br)c1sccc1Br 2215854088 NQDHTYWAIKZRGN-JTQLQIEISA-N 459.428 6.605 50 10 JKGE Cc1cc([C@H](Br)c2cc(Br)c(Br)cc2F)sc1Cl 2218604307 UTOICCBGMZPJMX-LLVKDONJSA-N 477.418 6.858 50 10 JKGE Cc1sc(Br)c(C)c1[C@@H](Br)c1ccc(Br)c(F)c1 2218798868 BNFBENOOZSVIMH-LBPRGKRZSA-N 457.000 6.513 50 10 JKGE Cc1sc(Br)c(C)c1[C@@H](Cl)c1cc(Br)cc(Br)c1 2218805987 PTIHGKQBLOQUEE-LBPRGKRZSA-N 473.455 6.981 50 10 JKGE ClCc1nc2cc(Br)c(Br)cc2n1-c1csnc1Br 2225698109 WDOHAAINHZLESW-UHFFFAOYSA-N 486.414 5.508 50 10 JKGE Cc1cc(Br)c(C)c([C@H](Br)[C@H]2CCC[C@H](C)O2)c1Br 2226869412 WSRFJVYKMOJASE-TURKWSHLSA-N 455.028 6.222 50 10 JKGE Cc1sc(C(=O)N[C@H](C)CCCCCI)c(Br)c1C 2229319902 MJLQRFGCEXTWOT-SECBINFHSA-N 458.203 5.241 50 10 JKGE Clc1cc(Br)c([C@H](Br)C[C@H]2C[C@H]3CC[C@H]2C3)c(Cl)c1Cl 2232514715 WNMJWDZAFHLSGA-AXTSPUMRSA-N 461.452 7.672 50 10 JKGE Cc1cc(Br)c([C@H](Br)[C@@H]2OC[C@@H]3CCC[C@@H]32)c(C)c1Br 2235614233 GIPQLHIZDCCZDZ-KUDNYVPYSA-N 467.039 6.080 50 10 JKGE COC[C@]1([C@@H](Br)c2c(Br)cc(C)c(Br)c2C)CCCO1 2235616056 XTQNRZCDEDXPQO-GJZGRUSLSA-N 471.027 5.460 50 10 JKGE Cc1cccc([C@@H](Cl)c2ccc3c(c2Br)CCO3)c1I 2238067308 PBQKGZMFCCESRQ-HNNXBMFYSA-N 463.540 5.625 50 10 JKGE Cl[C@H](c1c(Br)sc(Br)c1Br)[C@]12CCC[C@H]1CC2 2251126312 LXKQBZYJNPXWEZ-RMUHFYJVSA-N 463.460 6.896 50 10 JKGE CCCCc1ccc([C@H](Br)c2cccc(F)c2I)s1 2264367629 YCHXUPWQDXVSHM-CQSZACIVSA-N 453.158 6.319 50 10 JKGE COc1ccc([C@@H](Cl)c2cccc(C)c2I)cc1I 2269542277 FNOOREQHXLNFBT-CQSZACIVSA-N 498.529 5.541 50 10 JKGE Fc1cc(Br)c(F)c(Br)c1[C@H](Br)[C@H]1[C@H]2COCC[C@H]21 2272855021 JNTUURZZKFBXAC-HLJYALQUSA-N 460.938 5.208 50 10 JKGE CCOc1cc(C=C(C#N)C(=O)Nc2ccc(Cl)cc2)ccc1OCc1ccc(C(=O)O)cc1 2294193285 ACLMRDAIRGSXRF-UHFFFAOYSA-N 476.916 5.562 50 10 JKGE FC(F)(F)[C@@H]1CC[C@H]([C@@H](Br)Cc2cc(Br)cc(Br)c2)C1 2295336216 STZNUJHDEHNFFL-CWSCBRNRSA-N 478.972 6.496 50 10 JKGE FC(F)(F)[C@@H]1C[C@@H]1C[C@@H](Br)c1ccc(OCc2ccccc2)cc1Br 2314445697 PZAWYVASKQCXPK-KBRIMQKVSA-N 478.146 7.053 50 10 JKGE Fc1ccc(Br)cc1[C@H](Cl)c1cc(Br)ccc1OCc1ccccc1 2314450025 VLZQTQTWIZQKJR-FQEVSTJZSA-N 484.590 7.258 50 10 JKGE Brc1ccc(OCc2ccccc2)c([C@@H](Br)CC2CC3(CCC3)C2)c1 2314456253 VPWFMMYAFRPUCI-FQEVSTJZSA-N 464.241 7.435 50 10 JKGE CCOc1ccc(N2C(=O)[C@H](Cc3ccc(C)cc3)SC2=C(C#N)C(=O)Nc2ccccc2)cc1 2314592534 WUSUGAVWEMTEDG-VWLOTQADSA-N 483.593 5.459 50 10 JKGE CC1=C(C#N)C(=O)N([C@H](C)c2ccccc2)C(=O)C1=Cc1ccc(OCc2ccccc2F)cc1 2314617951 DOKPAFJUJXBULC-HXUWFJFHSA-N 466.512 5.758 50 10 JKGE CCOC(=O)C(C#N)=Cc1cccc(OC(=O)COc2cc(C)c(Br)cc2C(C)C)c1 2314770504 DVYVKSMOAYVXIQ-UHFFFAOYSA-N 486.362 5.335 50 10 JKGE Fc1c(Br)cc(Cl)c([C@@H](Br)[C@@H](F)C(F)(F)F)c1Br 2315446475 FYPWWRDGWRPQBW-HTRCEHHLSA-N 481.278 6.341 50 10 JKGE CCCc1sc(Br)cc1[C@@H](Cl)c1cc(Br)sc1Br 2316173060 UKQOAQBGASYXCO-LLVKDONJSA-N 493.511 7.378 50 10 JKGE COc1c(Br)cc(C)c([C@@H](Br)c2ccsc2)c1Br 2317400857 PGAKRTZRHWWDJZ-NSHDSACASA-N 455.009 6.074 50 10 JKGE Cc1cc(Br)c(F)c(Br)c1[C@H](Cl)c1coc(Br)c1 2317423212 NIVNMRSSDRCADK-LLVKDONJSA-N 461.350 6.343 50 10 JKGE Cc1sc(-c2ccccc2)nc1C(=O)NN=Cc1ccc(OCCCc2ccccc2)cc1 2323750275 XLOXVIIMIVGBBL-UHFFFAOYSA-N 455.583 5.894 50 10 JKGE CCN(CC)c1ccc(C=C2Oc3c(ccc(OCc4cccc(CCl)c4)c3C)C2=O)cc1 2325363400 ONBCEIHBNVTMCM-UHFFFAOYSA-N 461.989 6.775 50 10 JKGE CCOc1cc(C=NNC(=O)[C@H](CC(C)C)NC(=O)OC(C)(C)C)ccc1OCc1ccccc1 2328796599 IEEOMFGNNSKOPV-QFIPXVFZSA-N 483.609 5.054 50 10 JKGE CC(C)(C)[C@@H]1CCc2c(sc(NC(=O)C(C#N)=Cc3cccc(Br)c3)c2C(N)=O)C1 2329699967 HAJDETUYQWYTOQ-OAHLLOKOSA-N 486.435 5.306 50 10 JKGE COC(=O)c1c(NC(=O)C(C#N)=Cc2ccc(OC)c(OC)c2)sc(C)c1-c1ccc(C)cc1 2329703150 GQTFZFQFLCWOFA-UHFFFAOYSA-N 476.554 5.381 50 10 JKGE CC[C@@H](C)N1C(=O)c2ccc(C(O)=C(C#N)c3nc(-c4cc(C)cc(C)c4OC)cs3)cc2C1=O 2331372007 YPUQYRHIALQGEX-MRXNPFEDSA-N 487.581 5.780 50 10 JKGE COc1ccc(-c2csc(C(C#N)=Cc3cccc(OCc4ccccc4)c3)n2)cc1Cl 2331484716 NICACBUGHIRVDP-UHFFFAOYSA-N 458.970 7.115 50 10 JKGE Cc1cc(Br)c([C@@H](Br)[C@@H]2C[C@H]3CC[C@@H]2C3)c(C)c1Br 2334621634 XNLXNAGJEJSBHH-LGSVPQMISA-N 451.040 6.701 50 10 JKGE Fc1c(Br)cc(Cl)c([C@@H](Br)CC[C@@H]2CCOC2)c1Br 2337080625 KRORSKOYVQROSQ-SFYZADRCSA-N 479.409 6.257 50 10 JKGE CCCc1sc(Br)cc1[C@@H](Br)c1c(Cl)cccc1Br 2338030394 AADLVWRVFARPPI-CQSZACIVSA-N 487.482 7.363 50 10 JKGE Cc1cc(Br)c(F)c(Br)c1[C@@H](Br)c1c(Cl)cnn1C 2339651398 PEQDOEYKSNSENW-SNVBAGLBSA-N 475.381 5.530 50 10 JKGE Cc1cc(Br)c(C)c([C@@H](Br)[C@@H]2C[C@H]2C2CCCC2)c1Br 2357916582 BFZNVXBFDPWIGQ-AHIWAGSCSA-N 465.067 7.091 50 10 JKGE CCc1nc([C@H](Cl)c2c(F)cc(Cl)c(Br)c2Cl)c(Br)s1 2360424460 SRAUYFTVIFNJTP-SNVBAGLBSA-N 482.427 7.005 50 10 JKGE CC1(C)CCC([C@@H](Br)c2c(Cl)cc(Br)c(F)c2Br)CC1 2362228986 QIGNHGNJCYPTIK-GFCCVEGCSA-N 491.464 7.657 50 10 JKGE COc1c(Br)cc(C)c([C@H](Br)[C@H]2CCC(C)(C)C2)c1Br 2365190294 DAMKTJDXKWPHNG-GXFFZTMASA-N 469.055 6.791 50 10 JKGE CC(C)(C)[C@@H]1CC[C@H]1[C@@H](Br)c1c(Cl)cc(Br)c(F)c1Br 2369225652 KNCRIWXCNIAZQK-DNSOKLHBSA-N 491.464 7.512 50 10 JKGE O=C(c1scc(Br)c1Cl)N1CCC[C@@H](Br)[C@H]1C(F)(F)F 2370254636 NTVWBYKKRCYDCA-ANLVUFKYSA-N 455.521 5.094 50 10 JKGE CCc1cc(Br)c(OC)c([C@@H](Cl)c2scc(Br)c2Cl)c1 2381255191 DYMWXHLRBZONPH-LLVKDONJSA-N 459.030 6.826 50 10 JKGE N#CC(/C(O)=N/c1ccc(F)cc1)=C1/S[C@H](Cc2ccc(F)cc2)C(=O)N1c1ccc(F)cc1 2401551 GKWQMWSGDGNGHH-CKVBZJJFSA-N 479.483 5.818 50 10 JKGE Cc1ccc(CCN(C(=O)CCl)[C@@H](C(=O)NC2CCCCC2)c2ccc(Cl)cc2)cc1 3035226 AZOUKSUTXOIYJV-XMMPIXPASA-N 461.433 5.449 50 10 JKGE CCCCCCOc1ccc(Br)cc1C(=O)NNC(=O)c1ccccc1Cl 14648271 UFXDKRSAVOWYAJ-UHFFFAOYSA-N 453.764 5.136 50 10 JKGE CCCCCC[C@H](C)Oc1ccc(C(=O)NNC(=O)c2ccc(O[C@@H](C)CCCCCC)cc2)cc1 22022787 OSCKRLIEMDNOKQ-ZEQRLZLVSA-N 496.692 7.237 50 10 JKGE COc1cc(/C=C(/C#N)c2ccc(Cl)cc2)ccc1OC(=O)COc1ccccc1Cl 31902168 QSZZKYYLZKZWAI-PDGQHHTCSA-N 454.309 6.051 50 10 JKGE O=C(CSc1nc2ccccc2s1)N/N=C/c1ccccc1OCc1c(F)cccc1Cl 32520726 FKSNMGIZOBPTMW-RPPGKUMJSA-N 485.993 5.910 50 10 JKGE CCCCOc1ccc(/C=C(/C#N)C(=O)Nc2ncc(Cc3ccccc3Cl)s2)cc1 34720559 WUZRQYUXPJVTEQ-UYRXBGFRSA-N 451.979 6.112 50 10 JKGE Cc1ccc(C)c(N2C(=O)CS[C@H]2c2cccc(NC(=O)[C@@H](Cl)c3ccccc3)c2)c1 35910801 UNNHFTJYUHYBIP-ZCYQVOJMSA-N 450.991 6.001 50 10 JKGE Cc1cc(OCC(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@@H]3c2cccc3ccccc23)ccc1Cl 38657852 QCNZOONVHGLAGZ-MUUNZHRXSA-N 496.950 6.004 50 10 JKGE CCCOc1ccccc1C(=O)Oc1ccc2c(c1)OC(N)=C(C#N)[C@H]2c1cccc2ccccc12 38657944 JGQDWQMXNYTIOU-NDEPHWFRSA-N 476.532 6.066 50 10 JKGE CCCCOc1cccc(C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@H]3c2cccc(OCC)c2)c1 38684956 WOPSZXUNLXOVNY-MHZLTWQESA-N 484.552 5.702 50 10 JKGE Cc1cc(C)c2c(C)c(C(=O)Oc3ccc4c(c3)OC(N)=C(C#N)[C@H]4c3cccc([N+](=O)[O-])c3)oc2c1 38688177 MPXKJZWBQDQDCK-VWLOTQADSA-N 495.491 5.704 50 10 JKGE CCc1ccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4oc5ccc(CC)cc5c4C)ccc32)cc1 38700451 AWQPSILXGPFDFY-HHHXNRCGSA-N 478.548 6.303 50 10 JKGE Cc1c(C(=O)Oc2ccc(Cl)cc2Cl)oc2c1/C(=N/NC(=O)c1ccccc1Cl)CCC2 40812751 QCJIOQAHQBULDH-WPWMEQJKSA-N 491.758 6.238 50 10 JKGE CCCCCCOc1ccc(/C=C(\C#N)C(=O)Nc2cc(OC)c(Cl)cc2OC)cc1OC 40853185 IGVYMDURPVYAEE-LDADJPATSA-N 472.969 5.871 50 10 JKGE CCOc1ccc(/C=C(\C#N)C(=O)Nc2nc(-c3ccc(Br)cc3)cs2)cc1 40864487 ZAVLWUGWOJJTSY-LFIBNONCSA-N 454.349 5.517 50 10 JKGE COc1cc(/C=C(\C#N)C(=O)Nc2ccc(Cl)cc2)ccc1OCc1c(Cl)cccc1Cl 59116932 BYGMIBQSSQXDJY-LFIBNONCSA-N 487.770 6.780 50 10 JKGE O=C(N/N=C/c1ccccc1Oc1ccc(C(F)(F)F)cc1[N+](=O)[O-])c1ccc([N+](=O)[O-])cc1 59500339 AMNXIQNZGGTTQQ-BRJLIKDPSA-N 474.351 5.078 50 10 JKGE Fc1ccc(C[C@H](CBr)Cc2cccc(Br)c2)c(Br)c1 97184654 OXHXIEKHBCYAHD-GFCCVEGCSA-N 464.998 6.147 50 10 JKGE CCCOC(=O)c1ccc(N/C=C(/C#N)c2nc(-c3cc4cc(Cl)ccc4oc3=O)cs2)cc1 102934423 OJUSHGPRPSGMBQ-LGMDPLHJSA-N 491.956 6.113 50 10 JKGE CCCCCCOc1ccc(/C=C/C(=O)Oc2ccc(/C=C(/C#N)C(=O)OC)cc2OC)cc1OC 103756936 MOPMXKPOYSLOES-CEFCJMCMSA-N 493.556 5.362 50 10 JKGE Fc1ccc(C[C@H](CBr)c2ccccc2Br)cc1Br 118664969 VWWYVYLJLLWTAZ-LLVKDONJSA-N 450.971 6.072 50 10 JKGE COc1ccc(C[C@H](CBr)c2ccccc2Br)cc1Br 118867537 KAVDKMBBNODEBR-GFCCVEGCSA-N 463.007 5.941 50 10 JKGE C[C@@H]1CCC[C@@](CBr)(NC(=O)c2cc(Br)c(Br)s2)C1 124978135 MXIUVTPMBSPMJH-AMIZOPFISA-N 474.056 5.347 50 10 JKGE COc1c(C)cc(Br)c(C)c1[C@@H](Cl)c1cc(Br)ccc1Cl 125637093 IJTWYYFSSGDJMT-HNNXBMFYSA-N 453.001 6.819 50 10 JKGE CCc1ccc(CC)c([C@@H](Br)c2cc(Br)ccc2Br)c1 161103448 NEYFRTAURSRFNP-QGZVFWFLSA-N 461.035 6.821 50 10 JKGE CCOc1ccc([C@@H](Br)c2ccc(Br)cc2F)cc1Br 228996496 OKBFVTQHKSRZSA-OAHLLOKOSA-N 466.970 6.234 50 10 JKGE CCOC1CC(C[C@@H](Br)c2cc(Br)c(C)cc2Br)C1 232169820 LQSUHNCEBGMHFN-QKFMDRJYSA-N 455.028 6.161 50 10 JKGE Clc1ccc(Cl)c([C@@H](Br)c2cc(Br)cc(Br)c2)c1 236060172 BEPLBZCUIUNFHT-ZDUSSCGKSA-N 473.817 7.003 50 10 JKGE CCn1c(SCC(=O)NN=Cc2c3ccccc3cc3ccccc23)nnc1-c1ccc(C)cc1 254736897 RGTMEDRWWYJKSK-UHFFFAOYSA-N 479.609 5.822 50 10 JKGE CCOc1cc(C=NNC(=O)COc2ccc(C(C)C)cc2)ccc1OC(=O)c1cccs1 263626665 YWBZNXSGHZFLRF-UHFFFAOYSA-N 466.559 5.019 50 10 JKGE O=C(Nc1cc(Br)ccc1I)c1cccc(CCl)c1 305967793 JXTVDOAEVMKSQO-UHFFFAOYSA-N 450.501 5.045 50 10 JKGE Brc1cccc2c([C@H](Br)c3ccc(OCc4ccccc4)cc3)csc12 311856457 JLWSZOYINXWUKS-OAQYLSRUSA-N 488.244 7.727 50 10 JKGE COc1cc(Br)c([C@@H](Br)c2cccc(OCc3ccccc3)c2)cc1OC 312997024 YGJUMYAIEVTORB-QFIPXVFZSA-N 492.207 6.530 50 10 JKGE Cc1cccc2c1nc(CCl)n2-c1cc(I)ccc1Br 380178997 AZPLMDGTIORHIH-UHFFFAOYSA-N 461.528 5.440 50 10 JKGE Fc1cc2c(cc1I)nc(CCCl)n2CCCOCc1ccccc1 389957349 HOIPNYZSINJRBM-UHFFFAOYSA-N 472.729 5.168 50 10 JKGE O=[N+]([O-])c1cc(Br)ccc1Oc1cccc(Br)c1CBr 394728984 FDSOTIGFQAWIJA-UHFFFAOYSA-N 465.923 5.807 50 10 JKGE C[C@H](Cl)c1nc2cc(I)c(F)cc2n1[C@H]1C[C@H](C)N(Cc2ccccc2)C1 398228516 VYIBOPUVHISLMG-DZKIICNBSA-N 497.783 5.915 50 10 JKGE ClCc1nc2cc(I)ccc2n1C1[C@H]2C[C@H]1CN(Cc1ccccc1)C2 399615541 RQDHLFMBJPLBJY-HOTGVXAUSA-N 477.777 5.073 50 10 JKGE CCOC(=O)NN=C1C=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 607746992 ZGBFIPQSPKDRKC-HADGKATASA-N 454.655 6.427 50 10 JKGE COCc1cc(Br)c([C@@H](Cl)c2scc(Br)c2Br)s1 705476533 PIXWUESZRBPWDL-SECBINFHSA-N 495.483 6.572 50 10 JKGE C[C@H]1CN(Cc2ccccc2)C[C@H]1Cn1c(CCl)nc2cc(I)ccc21 708510802 WAAFETFABWNHDN-RDJZCZTQSA-N 479.793 5.148 50 10 JKGE O=C(c1cc(Br)ccc1Br)N(CCBr)c1ccccc1 714534557 TXZKPLZKAZZDFB-UHFFFAOYSA-N 461.979 5.253 50 10 JKGE C[C@@H]1CCN(Cc2ccccc2)C[C@@H]1n1c(CCl)nc2cc(Br)c(F)cc21 716304427 ZFZCKAQJLVJMML-VLIAUNLRSA-N 450.783 5.760 50 10 JKGE Cc1cc(C)c2c(-n3cccc3)c(C(=O)NN=Cc3ccc(Br)cc3)sc2n1 1081099985 CVHQQPZBVHLOBA-UHFFFAOYSA-N 453.365 5.230 50 10 JKGE CCOc1ccccc1NC(=O)C(=O)NN=Cc1ccc(OCc2c(Cl)cccc2Cl)cc1 1084016234 QILIFMVHGJKSEE-UHFFFAOYSA-N 486.355 5.060 50 10 JKGE Cc1ccc(NC(=O)/C(C#N)=C/c2cc(Cl)c(OCc3cccc(C)c3)c(Br)c2)cc1 1084025033 OJIWVLBXRXAQMZ-RGVLZGJSSA-N 495.804 6.844 50 10 JKGE C=CCc1cc(C=NNC(=O)CC[C@H](O)c2ccccc2)cc(OC)c1OCc1ccc(C)cc1 1084062698 XWIRWYSQRZUEAI-SANMLTNESA-N 472.585 5.275 50 10 JKGE O=C(NN=Cc1ccc(OCc2cccc(F)c2)c(Br)c1)c1cc2ccccc2o1 1084103763 AOMNTBWPEPYMTM-UHFFFAOYSA-N 467.294 5.677 50 10 JKGE Cc1cc(C=NNC(=O)CSCc2ccccc2Cl)c(C)n1-c1ccc(Br)cc1 1084333695 CWTNUHZBZRCGAC-UHFFFAOYSA-N 490.854 5.894 50 10 JKGE Cc1cccc(NC(=O)/C(C#N)=C\c2ccc(OCc3ccc(Cl)c(Cl)c3)cc2)c1C 1084524530 HDQRBTWVVXRNRK-NDENLUEZSA-N 451.353 6.735 50 10 JKGE CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(C)cc2)ccc1OCc1ccc([N+](=O)[O-])cc1 1084548134 WQJHQFKWMMJWSX-KGENOOAVSA-N 457.486 5.427 50 10 JKGE O=C(OCc1ccccc1)N1C[C@H](CI)[C@H](c2ccc(C(F)(F)F)cc2)C1 1614805861 LAWFJQVYMYPZSI-WMZOPIPTSA-N 489.275 5.493 50 10 JKGE Cc1ccc(C(C)C)c(OC(=O)c2oc3c(c2C)C(=NNC(=O)c2cccc4ccccc24)CCC3)c1 1772748003 MXJSIMRRYHZHBT-UHFFFAOYSA-N 494.591 6.863 50 10 JKGE Cc1c(C(=O)Nc2ccc(Cl)cc2)oc2c1C(=NNC(=O)c1cccc3ccccc13)CCC2 1772749321 ZVAMWJUGIKNIMS-UHFFFAOYSA-N 471.944 6.117 50 10 JKGE O=C(CSc1nc(-c2ccccc2)cs1)NN=Cc1ccc(OCc2ccc(Cl)cc2)cc1 1772755292 ZNTKQJVWMMHFMA-UHFFFAOYSA-N 494.041 6.285 50 10 JKGE Cc1ccc(C)c(Cn2nc(C(F)(F)F)c3c2OC(N)=C(C#N)[C@@H]3c2cccc(Cl)c2)c1 1865683037 DQFRYVCJQXEHOL-SFHVURJKSA-N 458.871 5.439 50 10 JKGE CCCOc1cccc([C@@H]2C(C#N)=C(N)Oc3c2c(CCC)nn3Cc2ccccc2Cl)c1 1865693197 IEHFOIYPHOQQJU-HSZRJFAPSA-N 462.981 5.544 50 10 JKGE Cc1ccsc1[C@H]1C(C#N)=C(N)Oc2c1c(-c1ccccc1)nn2Cc1ccccc1Cl 1865699406 SWAVZTUWIZMMSG-FQEVSTJZSA-N 458.974 5.840 50 10 JKGE Cc1nn(Cc2c(F)cccc2Cl)c2c1[C@@H](c1ccccc1OC(C)C)C(C#N)=C(N)O2 1865704795 DYQDEFGLZJWODQ-QFIPXVFZSA-N 452.917 5.038 50 10 JKGE N#CC1=C(N)Oc2c(c(C(F)(F)F)nn2-c2ccc(Cl)c(Cl)c2)[C@@H]1c1ccccc1O 1865707659 CJRIKYTWEYRREX-OAHLLOKOSA-N 467.234 5.122 50 10 JKGE CCc1nn(-c2ccc(Br)cc2)c2c1[C@H](c1ccc(C(F)(F)F)cc1)C(C#N)=C(N)O2 1865710842 JSSBOAFYZMPGGW-GOSISDBHSA-N 489.295 5.434 50 10 JKGE Cc1ccc([C@H](CC(=O)N[C@@H](Cc2ccccc2)C(=O)Nc2ccc(SC#N)cc2)C(C)C)cc1 1866732844 IFKVGICICYLFMY-SXOMAYOGSA-N 485.653 6.064 50 10 JKGE CC(C)c1nc(Nc2ccc(SC#N)cc2)cc(N2CCc3ccccc3[C@H]2c2cccc(F)c2)n1 1868231586 LPFCJLJZYNNPQK-MUUNZHRXSA-N 495.627 7.208 50 10 JKGE CCc1nc(Nc2ccc(SC#N)cc2)cc(N2CCc3[nH]c4c(OC)cccc4c3C2)n1 1868277931 MYAXMVHYPSVQSL-UHFFFAOYSA-N 456.575 5.408 50 10 JKGE COc1ccc(Br)cc1/C=C1\Oc2cc(OCc3cccc(CCl)c3)cc(C)c2C1=O 1871437347 SSMZOMRWJDJJRY-KSEXSDGBSA-N 499.788 6.700 50 10 JKGE COC(=O)c1ccc2c(O)nc(/C(C#N)=C/c3ccccc3OCc3ccc(C)cc3)nc2c1 1872727736 XBEWNZWKSHEJHM-FYJGNVAPSA-N 451.482 5.074 50 10 JKGE COc1cc(C)c(-c2csc(/C(C#N)=C(\O)Cc3cccc4ccccc34)n2)cc1C(C)C 1872751791 TWMZJKOLIGVRNR-LCUIJRPUSA-N 454.595 7.439 50 10 JKGE COc1ccc(-c2csc(/C(C#N)=C(\O)[C@@H]3CC(=O)N([C@H](C)c4ccccc4)C3)n2)c(OC)c1 1872755306 HQBYIROUSBKQDD-SKFBIBLXSA-N 475.570 5.230 50 10 JKGE COc1ccc(Cl)cc1-c1csc(/C(C#N)=C(\O)c2ccc3c(c2)C(=O)N(CC(C)C)C3=O)n1 1872758801 QTUQUFQAUHMLAK-QOCHGBHMSA-N 493.972 5.674 50 10 JKGE CCCOc1ccc(-c2csc(/C(C#N)=C/c3cc(OC)c(O)c(OC)c3)n2)cc1OCCC 1872790287 XRSVXPJUJVZWLX-YBFXNURJSA-N 480.586 6.175 50 10 JKGE CCCOc1ccc(-c2csc(/C(C#N)=C/c3cc(Br)ccc3O)n2)cc1OCCC 1872790291 XTXMOJZOSFNQQH-WOJGMQOQSA-N 499.430 6.920 50 10 JKGE COc1ccc(C(C)(C)C)cc1-c1csc(/C(C#N)=C/c2cc(Br)c(O)c(OC)c2)n1 1872793293 SDTHCAIBDGYGLO-OVCLIPMQSA-N 499.430 6.657 50 10 JKGE COc1ccc(/C=N/NC(=O)c2ccc3[nH]c4c(c3c2)CCCC4)cc1OCc1cccc(Cl)c1 1873498325 DCYDOLWDSMMQQA-OKCVXOCRSA-N 487.987 6.052 50 10 JKGE O=C(N/N=C/c1ccc(OCc2ccc(Cl)cc2Cl)cc1)c1ccc2[nH]c3c(c2c1)CCCC3 1873498532 STNPXPCMYOEKAB-FJEPWZHXSA-N 492.406 6.696 50 10 JKGE COCCOc1ccc([C@H](Br)C2CC(Br)C2)cc1Br 1887735186 AVFDCOCLUFMJCK-MGULZYLOSA-N 457.000 5.084 50 10 JKGE Clc1sccc1[C@@H](Br)c1cc(Br)ccc1OCc1ccccc1 1899850127 UECOILXZERNQBA-QGZVFWFLSA-N 472.629 7.227 50 10 JKGE Cc1nsc(Br)c1[C@H](Br)c1cc(F)c(Br)cc1F 1912973710 WHEBYQNLSOLDFV-SNVBAGLBSA-N 461.951 5.739 50 10 JKGE Cc1c(Br)sc([C@H](Br)C23CC4CC(CC(C4)C2)C3)c1Br 1922883789 PSLNEDRRUMJHOE-XODPYLIOSA-N 483.107 7.234 50 10 JKGE Cc1c(Br)sc([C@H](Br)c2ccc(Cl)c(Cl)c2)c1Br 1922898351 UUWDQHIURYBURK-SNVBAGLBSA-N 493.873 7.373 50 10 JKGE Cc1ccc(C[C@@H](Br)c2sc(Br)c(C)c2Br)cc1C 1922900719 JXRWSIYABBDTLS-GFCCVEGCSA-N 467.064 6.877 50 10 JKGE Clc1c(Br)sc(Br)c1[C@H](Br)[C@]12CCCC[C@@H]1C2 1923038192 HQFQTZXXLLARGT-ZIGWGHGNSA-N 463.460 6.943 50 10 JKGE C[C@@H](c1ccncc1Br)[C@@H](Br)c1cccc(F)c1I 1924052621 NNDSDCFBFMTXEB-ISVAXAHUSA-N 498.959 5.828 50 10 JKGE O=C(N[C@H](CBr)CC1CCCC1)c1scc(Br)c1Br 1926754189 IYBKBXQMTLHRHN-VIFPVBQESA-N 474.056 5.347 50 10 JKGE Clc1sc([C@H](Br)c2sncc2Br)cc1Br 1928067921 CHBCTXXFAXJHFG-LURJTMIESA-N 452.418 5.867 50 10 JKGE Cc1cc(Br)sc1[C@@H](Cl)c1cc(Br)c(Br)s1 1939447527 VLLKOMPMNPXXQH-QMMMGPOBSA-N 465.457 6.734 50 10 JKGE O=C(O)CCC[C@@H](CCCC[C@H]1CCSS1)NC(=O)OCC1c2ccccc2-c2ccccc21 1951547052 XPFRLSKSVQLAQC-UXHICEINSA-N 499.698 6.863 50 10 JKGE BrC[C@H]1CCC[C@H](c2ccc(OCc3ccccc3)c(OCc3ccccc3)c2)O1 1989166072 GWBPWSRZTSSMEC-DNQXCXABSA-N 467.403 6.850 50 10 JKGE Cc1cc(Br)c([C@@H](Br)[C@H]2C[C@@H](Br)C2)cc1Br 1991431720 GPANRUZZNCFRKH-SXMVTHIZSA-N 475.844 6.130 50 10 JKGE Cl[C@@H](c1c(Br)sc(Br)c1Br)[C@]12C[C@H](CO1)C2 1994622827 SZJAVTRMMFVFDJ-WXLWJSHRSA-N 451.405 5.495 50 10 JKGE Cc1c(Br)sc([C@H](Br)[C@@H]2[C@@H]3CCC(F)(F)[C@H]32)c1Br 2051237416 CQKOSWPRMOBPCQ-YYWONIAYSA-N 464.995 6.309 50 10 JKGE COc1cc([C@H](Cl)c2cc(Br)c(Br)s2)ccc1Br 2072060251 BCVZNBVLUOGRIU-NSHDSACASA-N 475.427 6.372 50 10 JKGE Oc1ccc(C(F)(F)F)cc1Cn1nc(CCl)c(I)c1C(F)(F)F 2079211543 USWFQVPVBUAWJH-UHFFFAOYSA-N 484.565 5.018 50 10 JKGE Fc1ccc(Cn2nc(CBr)c(Br)c2C(F)(F)F)c(C(F)(F)F)c1 2079231750 DPQORCWOHQAXFM-UHFFFAOYSA-N 484.007 5.766 50 10 JKGE CC(C)Cc1ccc([C@@H](Br)c2ccc(F)cc2I)s1 2087332352 JZQFBFJJIBSESI-HNNXBMFYSA-N 453.158 6.175 50 10 JKGE Cc1cc(Br)c([C@H](Br)C2CC[C@@H]3C[C@H]3CC2)cc1Br 2089421421 FIOOWWUNYDBLJD-XHBSWPGZSA-N 451.040 6.782 50 10 JKGE Fc1ccc([C@H](CBr)Cc2cccc(Br)c2Br)cc1 2092335108 KRHSIPSVBOZEIL-LBPRGKRZSA-N 450.971 6.072 50 10 JKGE F[C@@H]1CC[C@H](CC(CBr)(CBr)c2cccc(Br)c2)C1 2093928012 PRYBSPGKIJVUJG-SMDDNHRTSA-N 457.019 6.005 50 10 JKGE CCOc1ccc(Br)cc1[C@@H](Cl)c1csc(Br)c1Br 2093942104 KNOVSJJUBFRDEL-GFCCVEGCSA-N 489.454 6.763 50 10 JKGE Clc1cc([C@H](Br)c2cc(C3CC3)c(Br)s2)ccc1Br 2094673679 NQTMWOYNJAQYAS-ZDUSSCGKSA-N 485.466 7.288 50 10 JKGE FC1(F)[C@H]2CC(CBr)(Cc3cccc(Br)c3Br)C[C@@H]21 2107632451 HLARRMNRJDPYMF-UWVGGRQHSA-N 458.966 5.811 50 10 JKGE C[C@@H]1CO[C@H](CC(CBr)(CBr)c2ccc(Br)cc2)C1 2110066856 NZHXIFOZZYCVSR-FZMZJTMJSA-N 455.028 5.292 50 10 JKGE COc1ccc([C@H](Br)c2c(Cl)cccc2Br)c(Br)c1 2113159806 XQTXPAAFZLRKEP-AWEZNQCLSA-N 469.398 6.358 50 10 JKGE Cc1cc(S(=O)(=O)N(Cc2ccccc2)[C@@H](C)c2cccs2)sc1CBr 2123243944 QBHVGYQGSJHXSF-HNNXBMFYSA-N 470.479 5.965 50 10 JKGE Cc1cc(Br)c(C)c([C@H](Br)COCC(F)(F)F)c1Br 2136378502 DOSFWPLSZJNHOO-SECBINFHSA-N 468.933 5.843 50 10 JKGE CC(C)(CBr)N(Cc1ccccc1)C(=O)c1ccc(OC(F)(F)F)c(Cl)c1 2163392165 VETSTWQMEURVNJ-UHFFFAOYSA-N 464.709 6.055 50 10 JKGE BrCc1ccc2c(c1)CN(Cc1c(Br)cccc1Br)C2 2167517647 VBNNMCMXFRLMBT-UHFFFAOYSA-N 460.007 5.622 50 10 JKGE CC1(C)C[C@H](n2c(CCl)nc3cc(Cl)c(Br)cc32)[C@@H]1OCc1ccccc1 2169014861 DODGJYNEIKFACW-ICSRJNTNSA-N 468.222 6.747 50 10 JKGE O=C(c1cc(Br)c(Br)s1)N1CCCC12CCC(Br)CC2 2202251918 ZMQHZMBDLXQGML-UHFFFAOYSA-N 486.067 5.585 50 10 JKGE CC1(C)CCC[C@@H](COc2c(Br)cc(CBr)cc2Br)C1 2203245259 LPNWSDARUPDACI-LLVKDONJSA-N 469.055 6.702 50 10 JKGE COc1ccsc1[C@@H](Br)c1cc(Br)c(Br)cc1F 2218598497 TZXWUUUPTINUPD-NSHDSACASA-N 458.972 5.905 50 10 JKGE O=S(=O)(c1ccc(F)c(Br)c1)N(Cc1ccccc1)C1(CBr)CCC1 2224019983 RZMVPGRWGMHXDM-UHFFFAOYSA-N 491.220 5.097 50 10 JKGE Fc1cc(Br)c(Br)cc1[C@H](Br)C[C@H]1CCCC1(F)F 2225615909 AVOGPDKAYNAKMV-VXNVDRBHSA-N 464.945 6.612 50 10 JKGE C[C@@H]1[C@@H](n2c(CCl)nc3cc(Br)c(Br)cc32)CCN1Cc1ccccc1 2225702041 NUQATRJZVFYGDR-ACJLOTCBSA-N 497.662 6.136 50 10 JKGE CC1(C)CCN(Cc2ccccc2)CCN1c1c(CCl)ccc(Br)c1Cl 2231339196 VHOMVOAMAWDDRB-UHFFFAOYSA-N 456.255 6.332 50 10 JKGE Cc1cc(Br)c([C@@H](Br)c2cc(F)ccc2Br)c(C)c1Cl 2232526921 AXYWYZBNPQWGPU-AWEZNQCLSA-N 485.416 7.105 50 10 JKGE Cc1cc(Br)c([C@@H](Br)C[C@@H]2CCC23CCC3)c(C)c1Br 2235600329 QEPQKQFAPYKADC-JSGCOSHPSA-N 465.067 7.235 50 10 JKGE Fc1cc(F)c([C@H](Br)Cc2ccc(Br)cc2)c(F)c1Br 2236111882 XCBBRDASVRGUQP-SECBINFHSA-N 472.924 6.308 50 10 JKGE CC(C)c1ncc2nc([C@@H](C)Cl)n(CCCN(Cc3ccccc3)Cc3ccccc3)c2n1 2266529921 IZLPAFJYHKXMFY-OAQYLSRUSA-N 462.041 6.342 50 10 JKGE C[C@@H]1C[C@@H]1[C@@H]1C[C@@H]1[C@H](Br)c1c(F)cc(Br)c(F)c1Br 2272856550 YCVBUJXCHRWMNM-KOXCZOPKSA-N 458.966 6.218 50 10 JKGE Fc1ccc(I)cc1[C@H](Cl)c1cc2sc(Br)cc2s1 2278018183 AXDNBFDUYJATMA-ZDUSSCGKSA-N 487.584 6.797 50 10 JKGE Cc1cc(Br)c([C@H](Br)Cc2ccc(Br)cc2)c(C)c1F 2279143819 HIICDQJBPNMOTC-CQSZACIVSA-N 464.998 6.646 50 10 JKGE COc1ccc([C@@H](Br)c2cc3ncccc3s2)cc1I 2285009360 OYUWFNMHQOJVGH-OAHLLOKOSA-N 460.134 5.394 50 10 JKGE Fc1cc(Br)cc(F)c1CO[C@@H]1CCCCCC[C@H]1I 2287166678 ALIIZRRXUYKIPZ-HUUCEWRRSA-N 459.112 5.770 50 10 JKGE Cc1cc(Br)c([C@@H](Br)C2CC3(CC(F)C3)C2)c(C)c1Br 2287698223 RICADRYZUKRCIT-SQGCJCFSSA-N 469.030 6.793 50 10 JKGE COc1cc(C=CC(=O)Cl)cc(I)c1OCc1ccc(Cl)cc1 2293940762 AUSFNKUPDUNYAZ-UHFFFAOYSA-N 463.098 5.311 50 10 JKGE N#CC(=Cc1ccc(OCc2ccccc2Cl)cc1)C(=O)Nc1ccccc1C(F)(F)F 2295459714 PXVFCLQXFQZZDI-UHFFFAOYSA-N 456.851 6.483 50 10 JKGE N#CC(=Cc1ccc(-c2cc(C(F)(F)F)ccc2Cl)o1)C(=O)Nc1ccccc1Br 2296819032 MUPWUETUNZKCFZ-UHFFFAOYSA-N 495.682 6.927 50 10 JKGE N#CC(=Cc1ccc(-c2cc(Cl)ccc2Cl)o1)C(=O)Nc1ncc(Cc2ccc(F)cc2)s1 2296833251 PXBWBZWVAYDNEF-UHFFFAOYSA-N 498.366 6.985 50 10 JKGE Cc1ccc(CSC(Nc2ccccc2Cl)=C(C#N)S(=O)(=O)c2ccccc2)c(C)c1 2297349956 HESBJHDAVGYAIB-UHFFFAOYSA-N 469.031 6.469 50 10 JKGE CC(C)(C)[C@H]1CCc2nc(NC(=O)C(C#N)=Cc3ccc(-c4ccc(Cl)cc4)o3)sc2C1 2297399311 LGEVCIOOVXTHIX-KRWDZBQOSA-N 466.006 6.753 50 10 JKGE N#CC(=Cc1ccc(-c2cccc(-n3cnnn3)c2)o1)c1nc(-c2ccc(Cl)cc2)cs1 2297579134 SQXFAFKZLIOMDA-UHFFFAOYSA-N 456.918 5.763 50 10 JKGE CCCC1CC([C@H](Br)c2ccc(OCc3ccccc3)cc2Br)C1 2299525028 JXTVSWOUCZELRK-BPZDKFOGSA-N 452.230 7.290 50 10 JKGE Cn1nc([C@H](Br)c2cc(Br)ccc2OCc2ccccc2)cc1Cl 2299529884 GYEXAEXQQYXKQN-GOSISDBHSA-N 470.592 5.899 50 10 JKGE CCOc1ccc(NC(=O)C(C#N)=Cc2ccc(OCc3cccc(Cl)c3)c(OCC)c2)cc1 2313670834 ZMONQSKENWJBSE-UHFFFAOYSA-N 476.960 6.262 50 10 JKGE CCOc1cc(C=C(C#N)C(=O)Nc2cc(Cl)ccc2C)ccc1OCc1ccc(C)cc1 2313676681 RVISECPYJKWRAK-UHFFFAOYSA-N 460.961 6.480 50 10 JKGE CC1(C)OCCO[C@@H]1[C@H](Br)c1ccc(OCc2ccccc2)cc1Br 2314442233 AVBCYVWOCRIYPK-RTBURBONSA-N 470.201 5.658 50 10 JKGE N#CC(=Cc1ccccc1OCC(=O)Nc1nccs1)C(=O)Nc1cc(Cl)cc(Cl)c1 2314489588 RXAPAKQAHJSWGQ-UHFFFAOYSA-N 473.341 5.013 50 10 JKGE FC1(F)CC12CC([C@@H](Br)c1ccc(OCc3ccccc3)cc1Br)C2 2314493218 ZFSJFGWHGZIJJY-PJOPYLDSSA-N 472.167 6.900 50 10 JKGE Brc1ccc(OCc2ccccc2)c([C@@H](Br)[C@@H]2CCCC3(CC3)C2)c1 2314494684 KKPUBSOZLLKLQL-UTKZUKDTSA-N 464.241 7.435 50 10 JKGE CC1(C)CCC([C@H](Br)c2ccc(OCc3ccccc3)cc2Br)CC1 2314496295 ABJCEYXZYYNEHB-NRFANRHFSA-N 466.257 7.681 50 10 JKGE N#CC1=C(N)Oc2cc(OC(=O)C=Cc3ccccc3)ccc2[C@H]1c1cccc(Oc2ccccc2)c1 2314634434 RWFWKEJLCMUXNT-SSEXGKCCSA-N 486.527 6.316 50 10 JKGE COc1cc(C=C(C#N)c2ccccc2)ccc1OC(=O)COc1ccc(Br)cc1 2314720440 ORAJUHGVPZDCHU-UHFFFAOYSA-N 464.315 5.506 50 10 JKGE Cc1c(Br)sc([C@H](Br)c2c(Br)nc(C)n2C)c1C 2315600838 WMEUTTKNEHTGSJ-MRVPVSSYSA-N 457.029 5.416 50 10 JKGE N#CC(=Cc1cccc(OC(=O)CCCN2C(=O)c3ccccc3C2=O)c1)c1cccc(Cl)c1 2320506561 MINOARNXQSZKSI-UHFFFAOYSA-N 470.912 5.386 50 10 JKGE CCCOc1c(Cl)cc(C=C(C#N)c2nc(-c3ccc(Cl)cc3)cs2)cc1OCC 2323831426 LJIQDMVLYUSBCN-UHFFFAOYSA-N 459.398 7.369 50 10 JKGE CCOc1ccc(C)cc1[C@H](C)NC(=O)C(C#N)=CNc1ccc(Cl)cc1C(F)(F)F 2325075968 UOHWDCHZGILTEL-AWEZNQCLSA-N 451.876 5.763 50 10 JKGE O=C(NN=Cc1cccc(OCc2ccccc2)c1)c1ccc(-c2ccc3ccccc3c2)s1 2325901987 JPFHZZLKVGXGCF-UHFFFAOYSA-N 462.574 6.911 50 10 JKGE CCCCOc1ccc(C(O)=C(C#N)c2nc(-c3ccc([N+](=O)[O-])cc3)cs2)cc1OCC 2331281573 PUFHHFKSMAFGMC-UHFFFAOYSA-N 465.531 6.246 50 10 JKGE CCOc1ccc(-c2csc(C(C#N)=C(O)[C@@H]3CC(=O)N([C@@H](C)c4ccccc4)C3)n2)cc1 2331305600 YGBIIAKTPUARBR-FXAWDEMLSA-N 459.571 5.611 50 10 JKGE COc1ccc(CN2C(=O)c3ccc(C(O)=C(C#N)c4nc(C(C)(C)C)cs4)cc3C2=O)cc1 2331306068 GPUTYIRRMNJDJV-UHFFFAOYSA-N 473.554 5.195 50 10 JKGE N#CC(=C(O)C=Cc1ccc(Cl)cc1Cl)c1nc(-c2ccc(Cl)c(Cl)c2)cs1 2331311511 PIPULKRSWLLFDZ-UHFFFAOYSA-N 468.192 7.930 50 10 JKGE CCc1ccc(OCCCC(O)=C(C#N)c2nc(-c3cc(C)ccc3C)cs2)c(Br)c1 2331319735 DLEJEQNRNNZNPK-UHFFFAOYSA-N 497.458 7.404 50 10 JKGE COc1c(Cl)ccc(Cl)c1C(O)=C(C#N)c1nc(-c2ccc(C(C)(C)C)cc2)cs1 2331332896 ZIPFXKOPPZRHEV-UHFFFAOYSA-N 459.398 7.373 50 10 JKGE N#CC(=C(O)CNC(=O)c1ccc(Cl)cc1Cl)c1nc(-c2cccc3ccccc23)cs1 2331338058 VZABZEQSKATIMJ-UHFFFAOYSA-N 480.376 6.493 50 10 JKGE COc1ccc(C(C)(C)C)cc1-c1csc(C(C#N)=C(O)COc2ccc(Cl)c(C)c2)n1 2331350805 VFVTXKSFSFPMTB-UHFFFAOYSA-N 469.006 6.950 50 10 JKGE COc1c(Cl)cc(Cl)cc1-c1csc(C(C#N)=C(O)[C@H]2CC(=O)N(C(C)C)C2)n1 2331362665 LEMHOFNIDVSCFX-NSHDSACASA-N 452.363 5.175 50 10 JKGE COc1cc(-c2csc(C(C#N)=C(O)CCc3nc4ccccc4[nH]c3=O)n2)c(OC)cc1Cl 2331377292 HCJZQFVPRZRJJC-UHFFFAOYSA-N 494.960 5.143 50 10 JKGE COc1ccc(OCC(O)=C(C#N)c2nc(-c3ccc(Cl)s3)cs2)c(C(C)(C)C)c1 2331402082 MGGGDXPXYNMBQB-UHFFFAOYSA-N 461.008 6.703 50 10 JKGE COc1cc(C)c(-c2csc(C(C#N)=Cc3cc(Br)cc(OC)c3O)n2)cc1C 2331485675 QMJFZTCSIABYGB-UHFFFAOYSA-N 471.376 5.976 50 10 JKGE CC1([C@H](Br)c2cc(Br)ccc2OCc2ccccc2)CCCCCCC1 2336038522 OKUAYMUJOLGWER-JOCHJYFZSA-N 480.284 8.215 50 10 JKGE FC(F)(F)c1cscc1[C@@H](Cl)c1cc(Br)ccc1OCc1ccccc1 2336052907 FEYPHSUPDGRXSD-SFHVURJKSA-N 461.730 7.437 50 10 JKGE COc1ccc([C@H](Cl)c2ccc(OCc3ccccc3)cc2Br)c(Br)c1 2336084795 WXHRIYLIJXJDPJ-NRFANRHFSA-N 496.626 7.127 50 10 JKGE Fc1c(Br)cc(Cl)c([C@H](Br)CC[C@@H]2CCCO2)c1Br 2337092862 XBVZKTXBGOIJNW-JGVFFNPUSA-N 479.409 6.399 50 10 JKGE COc1c(C)cc([C@@H](Br)c2sc(Br)cc2Br)cc1Cl 2337665392 YFRNVZXJBVFCJY-LLVKDONJSA-N 489.454 6.728 50 10 JKGE CC(F)(F)c1ccc([C@@H](Br)c2sc(Cl)cc2I)cc1 2338768441 QQBVIUOCHRMKLY-LLVKDONJSA-N 477.539 6.602 50 10 JKGE CCCC[C@H](C)[C@H](Br)c1c(C)cc(Br)c(OC)c1Br 2339650147 CDBWCHKDSACJGY-ZANVPECISA-N 457.044 6.791 50 10 JKGE COc1c(Br)cc(C)c([C@H](Br)[C@]23C[C@H](CO2)C3)c1Br 2339679460 LWHTUSAHHUYLPW-ULCPSODYSA-N 454.984 5.144 50 10 JKGE Fc1ccc(C(CBr)(CBr)Cc2nc(Br)cs2)cc1 2342916359 VADGGTCZTLFBKQ-UHFFFAOYSA-N 472.015 5.315 50 10 JKGE CC[C@@H]1CN(C(=O)OCc2ccccc2)[C@H](CC)CN1CC1(CBr)CC(C)(C)C1 2345004157 GWLNGCNYWKAXCA-NHCUHLMSSA-N 465.476 5.699 50 10 JKGE CCCc1sc(Br)cc1[C@H](Br)c1cc2c(s1)CCSC2 2363269780 WFIBABDQGNZWND-HNNXBMFYSA-N 452.302 6.798 50 10 JKGE Fc1ccc(C(F)(F)F)cc1[C@H](Br)c1sc(Cl)cc1I 2363891094 FZWOLMDJXIKHGL-JTQLQIEISA-N 499.492 6.648 50 10 JKGE Cc1cc(Br)c(F)c(Br)c1[C@H](Br)[C@@H](CC(C)C)C(C)C 2365188423 LAFOAQVUHKZCSO-SMDDNHRTSA-N 473.062 7.413 50 10 JKGE Clc1cc(Cl)cc(CC[C@@H](Br)c2cccc(Br)c2Cl)c1 2366889256 VDBHQXUATJRFNX-CYBMUJFWSA-N 457.420 7.478 50 10 JKGE Cc1cc([C@@H]2C(C#N)=C(N)N(c3ccc(Br)cc3F)C3=C2C(=O)CCC3)c(C)s1 2501753 FMCOHUUUGGJPDE-HXUWFJFHSA-N 472.383 5.571 50 10 JKGE N#C/C(=C\c1ccc(OCc2ccc(Cl)cc2Cl)cc1)C(=O)Nc1ccc([N+](=O)[O-])cc1O 12556022 CWEFOVWHFXFJKC-CXUHLZMHSA-N 484.295 5.732 50 10 JKGE Cc1ccc(N/C(SCc2cccc(F)c2)=C(/C#N)S(=O)(=O)c2ccccc2)cc1Cl 20325254 JGNVHSXZVXTJTM-GHVJWSGMSA-N 472.994 6.299 50 10 JKGE N#C/C(=C\c1ccc(-c2ccc(Br)cc2)o1)c1nc(-c2ccc(F)cc2)cs1 28357444 FBHXMKRVSVTWDG-LFIBNONCSA-N 451.320 7.036 50 10 JKGE N#C/C(=C/c1ccc(OCc2cccc3ccccc23)cc1)C(=O)Nc1cc([N+](=O)[O-])ccc1F 33930423 ZUIOHMGXHMQDTJ-STZFKDTASA-N 467.456 6.012 50 10 JKGE CCCCOc1ccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4cccc5ccccc45)ccc32)cc1 38650838 BHRQFWAXWDTKJH-LJAQVGFWSA-N 490.559 6.456 50 10 JKGE N#CC1=C(N)Oc2cc(OC(=O)c3ccc(F)cc3)ccc2[C@H]1c1ccc(OCc2ccccc2)cc1 38650909 QLLVNXIYZLUGFU-MUUNZHRXSA-N 492.506 5.842 50 10 JKGE CCCCCOc1ccccc1[C@H]1C(C#N)=C(N)Oc2cc(OC(=O)c3ccccc3C)ccc21 38685995 UNFCKFFFBXUZJD-HHHXNRCGSA-N 468.553 6.001 50 10 JKGE Cc1ccc(C)c(NC(=O)/C(C#N)=C/c2c(Oc3ccccc3F)nc3c(C)cccn3c2=O)c1 39993004 XAMYMRYOLBJHHZ-XMHGGMMESA-N 468.488 5.097 50 10 JKGE Cc1cc(C)c2c(CC(=O)N/N=C3\CCCc4oc(C(=O)NC5CCCC5)c(C)c43)coc2c1 40826811 WROILZOCPSZTTP-ZTKZIYFRSA-N 461.562 5.023 50 10 JKGE Cc1cccc(COc2ccc(Br)cc2/C=C(\C#N)C(=O)Nc2ccccc2F)c1 59117149 UJZDMVHTXKBXNQ-XDHOZWIPSA-N 465.322 6.021 50 10 JKGE Cc1ccc(C)c(NC(=O)/C(C#N)=C\c2cc(Cl)ccc2OCc2ccc(Br)cc2)c1 59201333 BZIKMBYXQMZOKS-NDENLUEZSA-N 495.804 6.844 50 10 JKGE Cc1ccccc1C(=O)N/N=C/c1ccc(Sc2nnc(-c3ccccc3)n2-c2ccccc2)o1 59462456 YOBNJMWDDBFDKJ-MTDXEUNCSA-N 479.565 5.751 50 10 JKGE O=C1COc2ccc([C@@H](Br)c3cc(Br)c(Br)s3)cc2N1 128555038 GEPHRJCLGGBRDF-GFCCVEGCSA-N 481.991 5.088 50 10 JKGE Cc1cc(Br)c([C@H](Br)C[C@@H](C)CC(C)(C)C)cc1Br 128793117 MDLRCFVIPBYQRL-QMTHXVAHSA-N 455.072 7.418 50 10 JKGE CC1(C)C[C@@H](NC(=O)N2CCC(c3cc4cc(Cl)ccc4[nH]3)CC2)C[C@](C)(CN=C=O)C1 170290654 LECNATSJSUPQGF-NLFFAJNJSA-N 457.018 5.631 50 10 JKGE CC[C@@H](C)[C@H](c1ccccc1)[C@@H](Br)c1cc(Br)c(Br)s1 226742058 VDHCSWNQRBONNU-KMUNFCNLSA-N 481.091 7.539 50 10 JKGE Clc1cc(Oc2cc(Br)ccc2CBr)c(Cl)cc1Br 232322525 GECJHMRQODQQIK-UHFFFAOYSA-N 489.816 7.206 50 10 JKGE CC1(C)Cc2cc([C@@H](Br)c3cc(Br)sc3Br)ccc2O1 232825431 NVGLWCYXDJUCRK-CYBMUJFWSA-N 481.047 6.471 50 10 JKGE COc1c(Br)cc(Cl)cc1[C@@H](Br)c1ccoc1Br 234829188 RKNVBCRAEBOMRK-JTQLQIEISA-N 459.359 5.951 50 10 JKGE Cc1cc(Br)c([C@H](Br)[C@@H]2CC[C@H]3CCCC[C@H]3C2)cc1Br 251057706 DPIYHSOVVLRQHC-KYZVSKTDSA-N 479.094 7.563 50 10 JKGE COc1ccc(C(=O)Nc2cccc(C(C)=NNC(=O)CSCc3ccc(C)cc3)c2)cc1 254295651 XCGDQTIEJSVHKO-UHFFFAOYSA-N 461.587 5.030 50 10 JKGE CC(C)(c1ccccc1)c1ccc(OCC(=O)NN=Cc2ccc(Cl)c([N+](=O)[O-])c2)cc1 256017219 ONOFQQHZNCAXJR-UHFFFAOYSA-N 451.910 5.103 50 10 JKGE FC1(F)CCCC[C@H]1[C@H](Br)c1cc(Br)sc1Br 327757526 MUPCOSUOZXBJOQ-IONNQARKSA-N 452.984 6.535 50 10 JKGE ClCc1nc2c(Br)cccc2n1-c1ccc(Br)cc1Br 380960223 OMLOLKACWQJCCL-UHFFFAOYSA-N 479.397 6.052 50 10 JKGE C[C@H](Cl)c1nc2cc(I)c(F)cc2n1[C@@H](C)CCOCc1ccccc1 389615416 UXOTUPZTLRJUOU-KBPBESRZSA-N 486.756 6.248 50 10 JKGE O=C(N[C@H](CBr)C1CCCCC1)c1ccc(I)c(Cl)c1 395293676 CJBZVDJDTMEYLA-CQSZACIVSA-N 470.576 5.018 50 10 JKGE C[C@H]1C[C@@H](n2c(CCCl)nc3cc(I)ccc32)CN1Cc1ccccc1 398006936 QVYUQVFBGBTTSY-MAUKXSAKSA-N 479.793 5.258 50 10 JKGE Fc1cc(Br)c([C@H](Cl)c2cc(Cl)ccc2I)c(F)c1F 398420843 BZRVTXQXTJUOEF-LLVKDONJSA-N 495.891 6.453 50 10 JKGE CC(C)(C)OC(=O)NCCN1CCC[C@@H](c2ccccc2CCO[Si](C)(C)C(C)(C)C)CC1 616600575 GQVXSKYBMQVHIQ-JOCHJYFZSA-N 476.778 6.345 50 10 JKGE CC(C)(C)[Si](C)(C)OCCN1CCO[C@H](c2ccc(CO[Si](C)(C)C(C)(C)C)cc2)C1 616648666 RDLCHLRDQBLYNB-QHCPKHFHSA-N 465.827 6.604 50 10 JKGE BrCc1ccc(N2C[C@H]3CC[C@H]2[C@H]2CN(Cc4ccccc4)C[C@@H]32)c(Br)c1 705886842 SVTIJROZRLQGKH-AQCRLBJHSA-N 490.283 5.691 50 10 JKGE CC(C)C(C)(C)CC(CBr)(CBr)c1ccc(Br)cc1 713201048 SZPDXXNWYMVYJC-UHFFFAOYSA-N 455.072 6.549 50 10 JKGE Cc1cccc(C(CBr)(CBr)Cc2sncc2Br)c1 719872152 KMKWBMXYVHNSQN-UHFFFAOYSA-N 468.052 5.484 50 10 JKGE Cc1ccc(C)c(C[C@H](Br)c2ccc(I)c(Br)c2)c1 721572121 KNOZMMQFRXGACZ-AWEZNQCLSA-N 494.008 6.349 50 10 JKGE O=C(CC[C@H](O)c1ccccc1)NN=Cc1ccc(OCc2ccc(Cl)cc2Cl)cc1 1083898621 KBHKMPHPJRLQSG-QHCPKHFHSA-N 457.357 5.536 50 10 JKGE O=C(COc1ccc(C2CCCCC2)cc1)NN=C1C(=O)N(C/C=C\c2ccccc2)c2ccccc21 1084186958 JUELNAAISXZJNF-ADPMDORPSA-N 493.607 5.694 50 10 JKGE O=C(CN(Cc1ccccc1)Cc1ccccc1)NN=Cc1ccc(-c2ccc([N+](=O)[O-])cc2)o1 1084392906 JBOSYWBJXTXHOL-UHFFFAOYSA-N 468.513 5.007 50 10 JKGE COc1ccc(N2N=C(C#N)C3=C([C@H](c4ccc(Cl)cc4)C(C#N)=C(N)O3)[C@H]2c2ccccc2)cc1 1088680968 DFKWOJSUUCRTMX-AOYPEHQESA-N 493.954 5.551 50 10 JKGE CC(C)(C)OC(=O)N1C[C@@H](CI)[C@@H](c2cc(C(F)(F)F)ccc2F)C1 1614690820 GRDBUDXQSOHIIG-MFKMUULPSA-N 473.248 5.230 50 10 JKGE Cc1c(C(=O)Nc2ccccc2)oc2c1C(=NNC(=O)c1ccc(Br)cc1)CCC2 1772744486 YHNGPKSEKQXARO-UHFFFAOYSA-N 466.335 5.073 50 10 JKGE COc1ccccc1C(=O)NN=C1CCCc2oc(C(=O)Oc3cc(C)ccc3C(C)C)c(C)c21 1772746171 RFQPUNIGGUPHLC-UHFFFAOYSA-N 474.557 5.718 50 10 JKGE CC(C)(C)c1ccc(OCC(=O)NN=Cc2cccc(Br)c2)c(Br)c1 1772756579 ZZZNPEBXTJLEIB-UHFFFAOYSA-N 468.189 5.038 50 10 JKGE COc1ccc(-c2nn(-c3ccc(C)cc3)c3c2[C@H](c2cccc4ccccc24)C(C#N)=C(N)O3)cc1 1865682628 UBBIOFPFLQZRHS-HHHXNRCGSA-N 484.559 6.228 50 10 JKGE CCCc1nn(-c2ccc(Cl)c(Cl)c2)c2c1[C@@H](c1cccc(Cl)c1)C(C#N)=C(N)O2 1865683184 IERONEZIHNYYEL-IBGZPJMESA-N 459.764 6.003 50 10 JKGE N#CC1=C(N)Oc2c(c(C(F)(F)F)nn2Cc2ccc(Cl)c(Cl)c2)[C@@H]1c1cccc(Cl)c1 1865683579 MXBUDBBLDZUFKI-MRXNPFEDSA-N 499.707 6.129 50 10 JKGE CCc1nn(-c2ccc(Cl)cc2)c2c1[C@@H](c1ccc(OCc3ccccc3)cc1)C(C#N)=C(N)O2 1865690709 ZFSIKBZQQOJKGV-VWLOTQADSA-N 482.971 5.885 50 10 JKGE CCOc1ccc([C@@H]2C(C#N)=C(N)Oc3c2c(CC)nn3-c2cccc3ccccc23)cc1OC 1865695188 MGELJBYWSRXLFC-RUZDIDTESA-N 466.541 5.213 50 10 JKGE CCN(CC)c1ccc([C@@H]2C(C#N)=C(N)Oc3c2c(C(F)(F)F)nn3Cc2cccc(F)c2)cc1 1865702169 OQYOICJYUVPRQJ-HXUWFJFHSA-N 485.485 5.154 50 10 JKGE CCc1nn(-c2cccc(Cl)c2)c2c1[C@@H](c1ccc(OCc3ccccc3C)cc1)C(C#N)=C(N)O2 1865702791 FKKTVOXHXDSJOC-SANMLTNESA-N 496.998 6.194 50 10 JKGE COc1ccc(-c2nn(-c3ccc(Cl)cc3)c3c2[C@H](c2ccc(F)cc2)C(C#N)=C(N)O3)cc1 1865707772 FUJIKMHUWNCWQG-JOCHJYFZSA-N 472.907 5.559 50 10 JKGE CCOc1cc(/C=C(\C#N)c2nc3cc(C)ccc3n2C)ccc1OCc1ccc(Cl)cc1Cl 1872728367 YVFCADKRTFQXEE-UDWIEESQSA-N 492.406 7.230 50 10 JKGE CCc1cccc(C)c1N1C[C@@H](/C(O)=C(\C#N)c2nc(-c3ccc(C)cc3C)cs2)CC1=O 1872749064 ZUVSSXHXUGGWGR-QXUWJFDOSA-N 457.599 6.144 50 10 JKGE COc1c(C)cc(C)cc1-c1csc(/C(C#N)=C(\O)c2cc(C(F)(F)F)cc(C(F)(F)F)c2)n1 1872754821 KNCQTFPUBIODND-ZPHPHTNESA-N 498.448 7.423 50 10 JKGE COc1cc(/C=C/C(O)=C(\C#N)c2nc(-c3ccc(Cl)s3)cs2)cc(OC)c1OC 1872757874 ADGRBOPJQCTAKX-JKCNJQJSSA-N 460.964 6.057 50 10 JKGE CCCCc1ccc(-c2csc(/C(C#N)=C/c3cccc(OC)c3OCc3cccc(C)c3)n2)cc1 1872781011 ROIIEKNZYRQHDY-OVVQPSECSA-N 494.660 8.113 50 10 JKGE CC(C)C[C@@H]1CN(C(=O)OC(C)(C)C)CC[C@H]1[C@@H](CBr)NC(=O)OC(C)(C)C 1885096862 MDWKNTWUZMDEKO-BRWVUGGUSA-N 463.457 5.194 50 10 JKGE COc1ccc([C@H](Br)c2sc(Br)c(C)c2Br)cc1F 1922902614 SNARYEMQEDZUTP-NSHDSACASA-N 472.999 6.214 50 10 JKGE FC(F)(F)c1ccc([C@@H](Cl)c2c(Br)sc(Br)c2Cl)o1 1923038696 KAOSDCADSMXBAW-ZCFIWIBFSA-N 458.908 6.867 50 10 JKGE CCn1ncc(Br)c1[C@H](Cl)c1c(Br)sc(Br)c1Cl 1923039710 QFOQVURZRCWRLQ-ZCFIWIBFSA-N 497.865 6.234 50 10 JKGE Clc1c(Br)sc(Br)c1[C@H](Br)[C@H]1COc2ccccc21 1923068545 TUGUUFHNXUYNNB-OIBJUYFYSA-N 487.438 6.539 50 10 JKGE C[C@@H](c1ccncc1Br)[C@@H](Br)c1ccc(F)cc1Br 1924041639 WEGMJLXZBFIAFG-RMLUDKJBSA-N 451.959 5.985 50 10 JKGE O=C(NC[C@@H]1CCC2(CCC2)[C@@H]1Br)c1cc(Br)c(Br)s1 1924802743 MPUQLNDPCDHABM-GZMMTYOYSA-N 486.067 5.347 50 10 JKGE O=C(Nc1ccc(F)c(CBr)c1)c1ccc(Br)cc1Br 1924876352 OZBAODHMFKVZQF-UHFFFAOYSA-N 465.942 5.498 50 10 JKGE Cc1cc([C@@H](Br)c2c(Br)cccc2Br)sc1Cl 1945323781 UGVOWPSLHIELTC-LLVKDONJSA-N 459.428 6.719 50 10 JKGE Cc1c(Br)cccc1[C@@H](Br)c1sc(Cl)cc1Br 1948827843 FAJUXGZNPATZMJ-LLVKDONJSA-N 459.428 6.719 50 10 JKGE Cl[C@@H](c1c(Br)sc(Br)c1Br)C12CC(CO1)C2 1989834522 SZJAVTRMMFVFDJ-JGPKUNILSA-N 451.405 5.495 50 10 JKGE Cc1cc([C@@H](Br)c2sc(Br)c(C)c2Br)sc1Cl 2000997230 DXAREBRDGKTYNK-MRVPVSSYSA-N 479.484 7.089 50 10 JKGE Brc1cc([C@H](Br)c2ccccc2C2CC2)sc1Br 2042273744 WNYAYHRLFLSSNU-CYBMUJFWSA-N 451.021 6.635 50 10 JKGE O=C(NC[C@@H]1CCCN(CCCCCCCCCBr)C1)OCc1ccccc1 2044695550 DUNWFOCTIODQGB-QFIPXVFZSA-N 453.465 5.750 50 10 JKGE Cc1c(Br)sc([C@H](Br)C2[C@H]3CCCCC[C@H]23)c1Br 2048336294 DWBGHWQGZBIOFY-HOTUBEGUSA-N 457.069 6.844 50 10 JKGE C[C@@]1([C@@H](Br)c2c(Br)sc(Br)c2Cl)CCCC1(F)F 2048965959 CBLHZEPAAIHQMR-XVKPBYJWSA-N 487.429 7.188 50 10 JKGE CO[C@H]1C[C@H]([C@H](Br)c2sc(Br)cc2Br)C[C@H]1OC 2054499696 TZPTWZWWKHISQQ-FGGBMERFSA-N 463.029 5.149 50 10 JKGE Cc1c(Br)sc([C@H](Br)C23COC(CF)(C2)C3)c1Br 2082585135 JXKNIVAPZNZZRS-GCVQQVDUSA-N 463.004 5.536 50 10 JKGE Cc1c(Br)sc([C@@H](Br)C23COC(CF)(C2)C3)c1Br 2082585136 JXKNIVAPZNZZRS-OIKLOGQESA-N 463.004 5.536 50 10 JKGE Clc1cc(Br)ccc1[C@H](Cl)c1ccc(Br)cc1Br 2083330874 UBMPZHIUHDBLRD-CYBMUJFWSA-N 473.817 6.956 50 10 JKGE Clc1ccc(I)c([C@H](Br)c2ncn3ccsc23)c1 2083982841 RWMBRCDBKBJOMU-JTQLQIEISA-N 453.530 5.138 50 10 JKGE Clc1ccc(I)c(CN2CC[C@@H]3C[C@H](Br)CC[C@@H]32)c1 2087663004 GORKKCBZIAUPOF-HCKVZZMMSA-N 454.577 5.083 50 10 JKGE CC(C)(CBr)CCCNC(=O)c1cccc(Br)c1Br 2092328909 PZRHZDVEGBWFAF-UHFFFAOYSA-N 456.016 5.143 50 10 JKGE O=C(N[C@H](CBr)c1ccccc1)c1csc(Br)c1Br 2093943956 BGZDXSGIBLTGJV-SNVBAGLBSA-N 468.008 5.139 50 10 JKGE C[C@H]1[C@H](n2c(CCl)nc3cc(Br)c(Cl)cc32)CCN1Cc1ccccc1 2103625558 YIKIJGOOWPHLIJ-SCLBCKFNSA-N 453.211 6.027 50 10 JKGE C[C@H]1CN(Cc2ccccc2)C[C@H]1n1c(CCl)nc2cc(Cl)c(Br)cc21 2112692381 FIBXYJZBZPSOMN-ORAYPTAESA-N 453.211 5.884 50 10 JKGE COc1c(C)cc(Br)c(C)c1[C@H](Br)c1cc(Br)sn1 2120036971 AYMJPFNVJVQQRG-GFCCVEGCSA-N 470.024 5.778 50 10 JKGE Cc1cc(Br)c(C)c([C@H](Br)C[C@H]2C[C@H]3C[C@H]3C2)c1Br 2136371284 NHBOPNNTACSEOA-NRWUCQMLSA-N 451.040 6.701 50 10 JKGE C[C@@H]1CCC[C@](CBr)(Cc2ccc(I)c(Cl)c2)CC1 2142941270 USNJPBZLPAVYRX-MLGOLLRUSA-N 455.605 6.469 50 10 JKGE O=C(Nc1cccc(CCBr)c1)c1cccc(Br)c1Br 2148748736 FKHAOYKFGPNQMT-UHFFFAOYSA-N 461.979 5.401 50 10 JKGE C[C@@H](Br)C12CCC(CC1)N2C(=O)c1c(Br)cccc1Br 2153396732 JVDNCSIRXDFDKM-SBTGLGLWSA-N 466.011 5.132 50 10 JKGE C[C@H](Cl)c1nc2cc(Cl)c(Br)cc2n1[C@@H]1CN(Cc2ccccc2)C[C@H]1C 2169012317 VCZQNUKPUXDARP-LAPQFRIASA-N 467.238 6.445 50 10 JKGE CCCc1nc(COc2c(Br)cc(CBr)cc2Br)cs1 2169857220 RDZZNVQFBJXPIB-UHFFFAOYSA-N 484.051 6.095 50 10 JKGE CC(C)(C)C1CC(O[C@@](C)(CI)c2ccccc2Br)C1 2182850283 WYXKOBIQZNYLEN-FVKWTLKZSA-N 451.186 5.941 50 10 JKGE C[C@H]1C[C@H](n2c(CCl)nc3cc(Br)c(Cl)cc32)CN(Cc2ccccc2)C1 2184259790 CZZNXUCZAOTNGL-HOCLYGCPSA-N 467.238 6.274 50 10 JKGE ClCc1nc2cc(I)ccc2n1CCc1csc(Br)c1 2185152181 UHDRQWPFOSSSRU-UHFFFAOYSA-N 481.584 5.446 50 10 JKGE COc1cccc(/N=c2\ssc3c2-c2cccc4c2N(C(=O)C4=C(C#N)C#N)C3(C)C)c1 2185889476 VFLGFJLVUOZDME-QYQHSDTDSA-N 456.552 5.114 50 10 JKGE Cc1cc(Br)c(C)c([C@H](Br)[C@H]2CCCC(C)(C)C2)c1Br 2201080015 WIVNGZJNCIHDDV-BLLLJJGKSA-N 467.083 7.481 50 10 JKGE Cc1c(Br)ccc([C@@H](Br)Cc2c(F)cccc2F)c1Br 2203681647 AUDYCXVYDATXAX-LBPRGKRZSA-N 468.961 6.477 50 10 JKGE Cc1cc([C@H](Br)c2cc(Cl)cc3c2OCC3)ccc1I 2207105060 TVHIQDIHWORIKD-HNNXBMFYSA-N 463.540 5.672 50 10 JKGE C[C@H](Br)[C@@H](C)c1sc(Br)c(Br)c1Br 2209349843 UQTNAPHUKYPNFG-DMTCNVIQSA-N 455.835 5.923 50 10 JKGE CCN(C(=O)c1cc(Br)c(Br)s1)[C@H]1CCC[C@H]1Br 2217698283 WPNGDHGEBYRGBX-APPZFPTMSA-N 460.029 5.051 50 10 JKGE Cc1cc(Br)c([C@H](Br)C[C@@]23CCC[C@@H]2C3)c(C)c1Br 2227357007 UEESBVYZCKQLRJ-KFNAQCHYSA-N 451.040 6.845 50 10 JKGE Clc1cc(Br)ccc1C[C@H](Br)c1c(Cl)cccc1Br 2229140218 JDMVANGXSPZZCS-NSHDSACASA-N 487.844 7.197 50 10 JKGE Cc1c(Br)sc([C@@H](Cl)Cc2cc(Cl)cc(Cl)c2)c1Br 2232159828 BJEFUDVZAPPRCJ-JTQLQIEISA-N 463.449 7.411 50 10 JKGE COc1c(C(C)C)cc(Br)cc1[C@@H](Br)c1sncc1Br 2233162074 KMMGIYQBJIDDTJ-GFCCVEGCSA-N 484.051 6.284 50 10 JKGE COc1ccc(C[C@@H](Br)c2cc(Br)c(Br)cc2F)cc1 2233977296 UAIYRBQVATWKTG-GFCCVEGCSA-N 466.970 6.038 50 10 JKGE Cc1sc([C@@H](Br)c2csc3c(Br)cccc23)c(C)c1Br 2234463959 KIFYJIYPNASHBM-ZDUSSCGKSA-N 495.099 7.589 50 10 JKGE CCOc1ccc(Br)cc1[C@@H](Br)c1sc(C)c(Br)c1C 2234472661 ZWMWNJNMQVXANM-CQSZACIVSA-N 483.063 6.773 50 10 JKGE C[C@@H]1COCC[C@H]1[C@H](Br)c1c(F)cc(Br)c(F)c1Br 2272741407 UYDBYCDQENZFNP-AMXGMDGSSA-N 462.954 5.598 50 10 JKGE COc1cc(C)c(Br)c(C)c1[C@@H](Br)c1nc(C)sc1Br 2285056796 HSNOSPIIWOXQOG-GFCCVEGCSA-N 484.051 6.086 50 10 JKGE Cc1cc(C=C(C#N)C(=O)NC[C@H]2CCCO2)c(C)n1-c1ccc(OCc2ccc(F)cc2)cc1 2294146950 KEAQAGUFMOBJRR-HHHXNRCGSA-N 473.548 5.014 50 10 JKGE Cc1ccc(NC(=O)C(C#N)=C2S[C@H](Cc3ccc(F)cc3)C(=O)N2c2ccccc2)cc1Cl 2296506974 NWINUPDOWQAFKP-HSZRJFAPSA-N 491.975 5.853 50 10 JKGE CC[C@@H](C)C[C@@H](Br)c1c(Cl)cc(Br)c(F)c1Br 2300179001 OEECXJPIBAQNHU-RNFRBKRXSA-N 451.399 6.876 50 10 JKGE COc1cc(C=C(C#N)C(=O)Nc2ccc(Cl)cc2)ccc1OC(=O)c1ccc(Cl)cc1 2313631379 PFJNXYHYFUVGRW-UHFFFAOYSA-N 467.308 5.767 50 10 JKGE COc1ccccc1NC(=O)C(C#N)=Cc1ccc(OC(=O)c2ccc(Cl)cc2Cl)cc1 2313738817 QUZXWSFAWKZMEA-UHFFFAOYSA-N 467.308 5.767 50 10 JKGE N#CC(=Cc1ccc(-c2ccc(Br)cc2)o1)c1nc(-c2ccc(F)cc2)cs1 2314456867 FBHXMKRVSVTWDG-UHFFFAOYSA-N 451.320 7.036 50 10 JKGE Cl[C@H](Cc1ccc(Br)cc1)c1ccc(OCc2ccccc2)cc1Br 2314498528 VKULBZIJHYYINH-OAQYLSRUSA-N 480.627 7.313 50 10 JKGE CC1(C)CCCC[C@H]1[C@H](Br)c1ccc(OCc2ccccc2)cc1Br 2314499612 DWENDNFOJKFQCS-PZJWPPBQSA-N 466.257 7.681 50 10 JKGE CC(C)[C@@H]1CCC[C@@H]1[C@@H](Br)c1ccc(OCc2ccccc2)cc1Br 2314500400 NCGSKNRCRVRNGL-CNNODRBYSA-N 466.257 7.536 50 10 JKGE COc1ccc(N2C(=O)[C@H](Cc3cccc(C)c3)SC2=C(C#N)C(=O)Nc2ccccc2C)cc1 2314592659 ZPVFPZBDMPVKFB-VWLOTQADSA-N 483.593 5.377 50 10 JKGE C=CCNC(=O)C(C#N)=C1S[C@H](Cc2ccc(Cl)cc2Cl)C(=O)N1c1ccc(CC)cc1 2314594068 YMZJHXHVHVMASD-OAQYLSRUSA-N 486.424 5.284 50 10 JKGE CCCCCCN1C(=O)C(=Cc2ccc(OCc3ccc(Cl)cc3)cc2)C(C)=C(C#N)C1=O 2314610007 BTGXQGNFSGWQTH-UHFFFAOYSA-N 462.977 6.092 50 10 JKGE COc1cc(C=C2C(=O)N(Cc3ccc(F)cc3)C(=O)C(C#N)=C2C)ccc1OCCC(C)C 2314620391 PBNGDINTOADQNC-UHFFFAOYSA-N 462.521 5.052 50 10 JKGE CCCCCOc1cccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)C=Cc4ccc(C)cc4)ccc32)c1 2314634714 CHVIMHXYTURDNB-SSEXGKCCSA-N 494.591 6.401 50 10 JKGE CCCOc1ccccc1C=C(C#N)C(=O)Nc1sc2c(c1C(=O)OC)CC[C@H](C(C)(C)C)C2 2314774171 WMDPORAZSAVONI-IBGZPJMESA-N 480.630 6.020 50 10 JKGE Fc1cc(F)c([C@@H](Br)c2sc(Cl)cc2I)cc1Cl 2316605397 GYKCEEGUHAJPBL-SNVBAGLBSA-N 483.930 6.422 50 10 JKGE BrC[C@H](Cc1ccc(Br)cc1)Cc1nc(Br)cs1 2320035751 TWWPBJXMXRSXIS-SNVBAGLBSA-N 454.025 5.464 50 10 JKGE CCCCCCOc1ccccc1C(=O)C=NNC(=O)CSc1nc2ccccc2s1 2323195541 QPRANBMECDWMAV-UHFFFAOYSA-N 455.605 5.332 50 10 JKGE N#CC(=CNc1cc(C(F)(F)F)cc(C(F)(F)F)c1)C(=O)NC(c1ccccc1)c1ccccc1 2324826101 YBKSNEYMLWTYDL-UHFFFAOYSA-N 489.419 6.449 50 10 JKGE CCCCOC(=O)c1ccccc1NC(=O)C(C#N)=CNc1ccc(Nc2ccccc2)cc1 2325309633 DNAPKYLVEYBKNK-UHFFFAOYSA-N 454.530 5.845 50 10 JKGE Cc1ccccc1COc1ccccc1C=NNC(=O)[C@H](Cc1ccccc1)NC(=O)OC(C)(C)C 2328827671 XGPIDPXHMIQLCP-VWLOTQADSA-N 487.600 5.160 50 10 JKGE N#CC(=Cc1cc(Br)ccc1OCc1ccc(Cl)c(Cl)c1)c1cccs1 2331069370 JOUIGZPYQAMGLW-UHFFFAOYSA-N 465.199 7.461 50 10 JKGE Cc1c(C(O)=C(C#N)c2nc(-c3ccc(Br)cc3)cs2)cc([N+](=O)[O-])cc1[N+](=O)[O-] 2331259966 ABJWFGGIIGKGDM-UHFFFAOYSA-N 487.291 5.647 50 10 JKGE N#CC(=C(O)CCCN1C(=O)c2ccccc2C1=O)c1nc(-c2ccc(Cl)c(Cl)c2)cs1 2331311462 JSRWYRYMRRVHCV-UHFFFAOYSA-N 484.364 5.986 50 10 JKGE CCCCOc1ccc(C(O)=C(C#N)c2nc(-c3cc(C)ccc3OC)cs2)cc1OCC 2331323586 HZPBQXMPXCJUJF-UHFFFAOYSA-N 464.587 6.655 50 10 JKGE CC[C@H](C)[C@@H](C(O)=C(C#N)c1nc(-c2cc(C)ccc2OC)cs1)N1C(=O)c2ccccc2C1=O 2331324371 QOMFFHUYPHXZEX-HJPURHCSSA-N 487.581 5.631 50 10 JKGE C[C@@H](C(O)=C(C#N)c1nc(-c2cccc3ccccc23)cs1)N1C(=O)c2ccccc2C1=O 2331337928 KQYSHQHLJISZDQ-HNNXBMFYSA-N 451.507 5.441 50 10 JKGE CCc1cccc(CC)c1N1C[C@@H](C(O)=C(C#N)c2nc(-c3ccc(C(C)C)cc3)cs2)CC1=O 2331340693 QVSMTMDJLHYFQA-QHCPKHFHSA-N 485.653 6.904 50 10 JKGE CCCCCCCOc1ccc(-c2csc(C(C#N)=C(O)COc3ccc(Cl)c(C)c3)n2)cc1 2331345475 NNIFQCLNKZGWQJ-UHFFFAOYSA-N 497.060 7.993 50 10 JKGE CCOc1c(Br)cc(C=C(C#N)c2nc(-c3ccc4c(c3)OCO4)cs2)cc1OC 2331453856 SNQWTBWALXUXKH-UHFFFAOYSA-N 485.359 5.773 50 10 JKGE Cc1cc(Br)c([C@H](Br)[C@H]2CC[C@@H]3C[C@H]2CO3)cc1Br 2334116017 TYJLZFDGQIBZBM-BQVMBELUSA-N 453.012 5.771 50 10 JKGE Fc1cc(Br)c(F)c(Br)c1[C@H](Br)C[C@@H]1CCC1(F)F 2335422972 ZAWAWIDZBIJOGI-NTSWFWBYSA-N 468.908 6.361 50 10 JKGE Cc1ccc(C[C@@H](Br)c2ccc(OCc3ccccc3)cc2Br)cc1C 2336084350 SNIKMJKQYRPLHA-JOCHJYFZSA-N 474.236 7.324 50 10 JKGE CC1(C)C[C@H]1CC[C@H](Br)c1c(Cl)cc(Br)c(F)c1Br 2337082007 GJWQQQWUBAKGHK-SFYZADRCSA-N 477.437 7.266 50 10 JKGE Cc1csc([C@@H](Br)c2c(C)cc(Br)c(F)c2Br)c1C 2339683184 AOQWDVHCWKQPDJ-LBPRGKRZSA-N 471.027 6.822 50 10 JKGE Fc1ccc([C@H](Br)c2ccc(Cl)cc2I)c(F)c1F 2340065889 NDWDBAFTYGJUGL-LLVKDONJSA-N 461.446 5.846 50 10 JKGE Clc1ccc(COc2ccnc(Cl)c2CBr)c(I)c1 2344715309 JQBALQPCOINAIH-UHFFFAOYSA-N 472.935 5.467 50 10 JKGE Clc1cc(Br)c(C[C@H](CBr)Cc2ccccc2Br)s1 2346065460 BCKMEIDRWUNGNU-SECBINFHSA-N 487.482 6.723 50 10 JKGE CC1(C)CCN(Cc2ccc(I)c(Br)c2)C[C@H]1CCl 2349836744 RLDNPRLLRAFUOU-GFCCVEGCSA-N 456.593 5.141 50 10 JKGE Fc1c(Br)cc(Cl)c([C@H](Br)[C@H]2O[C@H]3CC[C@H]2C3)c1Br 2352553492 LGSGKTLMEVAFHV-FHEFOSMESA-N 477.393 6.008 50 10 JKGE Fc1cc(Br)c(Br)cc1[C@@H](Br)[C@H]1OC[C@@H]2CCCC[C@H]12 2358562249 SUUYXHYTDVVBJE-YMLDPWDYSA-N 471.002 5.992 50 10 JKGE Cc1ccc([C@H](Cl)c2c(Cl)cc(Br)c(F)c2Br)c(Cl)c1 2362223488 JQDYNQFUCRYODG-ZDUSSCGKSA-N 461.383 7.294 50 10 JKGE CCCc1sc(Br)cc1[C@H](Br)c1ccc(Br)c(OC)c1 2363278084 YCGVDIGZYCHKKN-OAHLLOKOSA-N 483.063 6.719 50 10 JKGE COc1ccc(CCO[C@@H]2CCCCC[C@H]2I)c(Br)c1 2364694816 DYWUEEZSRCDKEA-HZPDHXFCSA-N 453.158 5.153 50 10 JKGE Cc1cc(Br)c(C(C)C)cc1[C@@H](Br)c1scc(Br)c1C 2380927327 NQRSEOQGHWWTHR-OAHLLOKOSA-N 481.091 7.498 50 10 JKGE Cc1cc([C@H]2C(C#N)=C(N)N(c3ccc(Br)cc3F)C3=C2C(=O)CCC3)c(C)s1 2501752 FMCOHUUUGGJPDE-FQEVSTJZSA-N 472.383 5.571 50 10 JKGE Cc1ccc([C@H](C(=O)NC2CCCCCC2)N(C(=O)CCl)[C@H]2CCCc3ccccc32)cc1 3038848 PIZNFYUUSQBBEG-AHKZPQOWSA-N 467.053 6.020 50 10 JKGE C[C@H](Oc1ccc(Br)cc1)C(=O)N/N=C/c1cn(-c2ccccc2)nc1-c1ccccc1 3080226 CDXKPMRSBMFKSK-NLTKLDOMSA-N 489.373 5.219 50 10 JKGE C[C@@H](NC(=O)/C(C#N)=C/c1ccc(OCc2ccccc2)c(OCc2ccccc2)c1)c1ccccc1 12624630 SBQWUNRGKBLXGZ-PCEWRDAZSA-N 488.587 6.629 50 10 JKGE COc1cc(/C(C)=N\NC(=O)c2cc(-c3cccs3)nc3ccccc23)cc(OC)c1OC 33408403 FWJOKWOSYPVLDW-DICXZTSXSA-N 461.543 5.143 50 10 JKGE N#C/C(=C/c1ccc(-c2cc(Cl)ccc2Cl)o1)c1nc(-c2ccc3ccccc3c2)cs1 35568857 GRSOHYHCBLENNX-UNOMPAQXSA-N 473.384 8.594 50 10 JKGE Cc1ccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4oc5cc(C)c(C)cc5c4C)ccc32)o1 38688675 ZLFOURWPHOVULK-XMMPIXPASA-N 454.482 5.697 50 10 JKGE CCOc1ccc(NC(=O)/C(C#N)=C/c2ccc(OCc3ccccc3Cl)c(OC)c2)cc1 40006643 RVKNMVMLKGHOCG-XSFVSMFZSA-N 462.933 5.872 50 10 JKGE CCC[C@@H](CBr)COc1c(I)cc(Cl)c2cccnc12 96871044 QAQNYBDFDXLBFA-JTQLQIEISA-N 468.560 5.683 50 10 JKGE Fc1cc(-n2c(CCl)nc3cc(I)ccc32)ccc1Br 97355378 PXQMIOPGIGVMAO-UHFFFAOYSA-N 465.491 5.271 50 10 JKGE COc1ccc(CN(C(=O)CCl)[C@H](C(=O)NC2CCCCCC2)c2ccc(F)cc2Cl)cc1 97915022 NTPNURNKOJVZBT-DEOSSOPVSA-N 495.422 5.635 50 10 JKGE CSc1ccccc1[C@H](Br)c1cc(Br)sc1Br 98021685 JHBFBHVLLHBYKL-NSHDSACASA-N 457.050 6.479 50 10 JKGE CN(C)c1ccc(/C=C(/C#N)c2nc(-c3cccs3)c(NC(=O)c3ccc(Cl)cc3)s2)cc1 102856518 IYEHDZBBKUZUMH-JXAWBTAJSA-N 491.041 6.907 50 10 JKGE CC[C@H](c1ccccc1)[C@H](Br)c1cc(Br)sc1Br 104034737 IOUJEFPPFROINH-MFKMUULPSA-N 453.037 6.903 50 10 JKGE CCCCCCOC(=O)c1ccc(N/C=C(/C#N)c2nc(-c3ccc(OC)cc3)cs2)cc1 106140144 KMZPNVJRNUJDMO-FXBPSFAMSA-N 461.587 6.532 50 10 JKGE CCOc1ccc(Br)cc1[C@@H](Br)Cc1ccc(Br)cc1 109872104 RKICTQHVFOSXDC-HNNXBMFYSA-N 463.007 6.289 50 10 JKGE BrC[C@H](CCOc1ccc(Br)cc1)c1ccc(Br)cc1 118851304 VAPMRRREBAIADS-ZDUSSCGKSA-N 463.007 6.159 50 10 JKGE CCC(CC)N(CCBr)C(=O)c1cc(Br)c(Br)s1 124275274 LKRBIYUDXODYSY-UHFFFAOYSA-N 462.045 5.299 50 10 JKGE Brc1cc([C@H](Br)[C@@H]2Cc3ccccc3O2)sc1Br 128193393 SCAIRTWVWYCJQV-CMPLNLGQSA-N 452.993 5.713 50 10 JKGE Cc1cc([C@H](Br)c2cc(Br)c(Br)s2)c(F)cc1F 128878997 HNAWSQJBZQIXKQ-NSHDSACASA-N 460.963 6.344 50 10 JKGE Brc1cccc([C@H](CI)O[C@@H]2CCCc3ccccc32)c1 162078694 NRHVYYFNCXJZCC-MSOLQXFVSA-N 457.149 6.019 50 10 JKGE CCCOc1ccccc1/C=C(/C#N)C(=O)Nc1sc2c(c1C(=O)OC)CC[C@@H](C(C)(C)C)C2 206987427 WMDPORAZSAVONI-GDLUXTLDSA-N 480.630 6.020 50 10 JKGE CCCOc1cccc(-c2nn(-c3ccccc3)cc2/C=C2\C(=O)N(C(C)C)C(=O)C(C#N)=C2C)c1 214250969 OIGKGVILCUOAMO-XYGWBWBKSA-N 480.568 5.329 50 10 JKGE C[C@@H](NC(=O)/C(C#N)=C\Nc1cc(C(F)(F)F)cc(C(F)(F)F)c1)c1ccc2c(c1)CCCC2 217203209 MAXHBZYSQHGQOA-VVTMIQRTSA-N 481.440 6.300 50 10 JKGE Cc1cc(I)ccc1NC(=O)/C(C#N)=C\N(c1ccccc1)c1ccc(N)cc1 217254060 PFTFPEGFHFNLRF-ICFOKQHNSA-N 494.336 5.366 50 10 JKGE O=C1Cc2cc([C@H](Br)c3ccc(Br)cc3Br)ccc2N1 232484541 CLHHMCCKXYFKRM-HNNXBMFYSA-N 459.963 5.191 50 10 JKGE COc1ccc([C@@H](Br)c2ccc(Cl)cc2Br)cc1Br 234979597 QMJWQBHXTOXTCB-CQSZACIVSA-N 469.398 6.358 50 10 JKGE COc1cc(F)c([C@@H](Br)c2cc(Br)sc2Br)cc1OC 234988685 LSIVLKXCUCOMEO-GFCCVEGCSA-N 488.998 5.914 50 10 JKGE Cc1cc(Br)c([C@@H](Br)c2cc(Cl)ccc2Br)s1 235812076 JSXHYVUGGDAYJI-NSHDSACASA-N 459.428 6.719 50 10 JKGE Cc1cc([C@@H](Br)c2cc(Br)ccc2I)c(C)s1 235862257 HGBZQOXJJSSVHM-CYBMUJFWSA-N 486.010 6.216 50 10 JKGE COc1ccccc1/C=C\C=NNC(=O)CSc1nnc(-c2ccc(C)cc2)n1-c1ccc(C)cc1 254440115 DFYUUJWCTFJPMK-DYRUROPNSA-N 497.624 5.467 50 10 JKGE O=C(/C=C/c1ccccc1)Oc1ccc(C=NNC(=O)C(Oc2ccccc2)Oc2ccccc2)cc1 254496571 BJPSYSDRSHFMFA-GUHFFABYSA-N 492.531 5.240 50 10 JKGE Clc1cc([C@@H](Br)c2cc(Br)sc2Br)cs1 306812410 ZDKGSUBHGADDTF-MRVPVSSYSA-N 451.430 6.472 50 10 JKGE C[C@@H](Cl)c1nc2cc(I)ccc2n1-c1cncc(Br)c1 312201825 SAQAGXILJSTNAX-MRVPVSSYSA-N 462.516 5.087 50 10 JKGE C[C@@](CI)(OCC1CCCCCC1)c1ccccc1Br 312386009 KHZOUOXHNIOEJK-KRWDZBQOSA-N 451.186 6.086 50 10 JKGE CCCOc1ccc([C@H](Br)c2cnn(C)c2Br)cc1Br 379183246 URVDHDOUENOSHA-ZDUSSCGKSA-N 466.999 5.218 50 10 JKGE CC(C)(OC(=O)NCCCCCCCCCCCCBr)C(Cl)(Cl)Cl 575141518 FPOKGVXCUSNTDI-UHFFFAOYSA-N 467.703 7.157 50 10 JKGE CC(C)(C)OC(=O)Nc1cccc([C@H]2CCN(CCO[Si](C)(C)C(C)(C)C)CCO2)c1 616596275 VKUBPJRPELUHDG-OAQYLSRUSA-N 450.696 5.819 50 10 JKGE Fc1ccc([C@@H](Br)c2ccc(I)c(Cl)c2)c(F)c1Cl 689655904 ZFQFNTZLPKWRRZ-NSHDSACASA-N 477.901 6.361 50 10 JKGE C[C@H]1C[C@H](n2c(CCCl)nc3ccc(F)c(Br)c32)CN1Cc1ccccc1 689776468 XMDQAMSJNARJFZ-HOCLYGCPSA-N 450.783 5.555 50 10 JKGE CC(C)(C)[C@@H]1C[C@@H]1CO[C@](C)(CI)c1ccccc1Br 703464477 RGHNUYLJVTWVME-SUYBPPKGSA-N 451.186 5.798 50 10 JKGE FC1(F)CCC[C@@H]1C[C@@H](Br)c1cc(I)cc2c1OCC2 713975478 SHAIKOQSLYDVSN-ZWNOBZJWSA-N 457.096 5.488 50 10 JKGE O=C(NN=Cc1ccc(OCc2ccc(F)cc2)cc1)c1ccc(OCc2ccc(Cl)cc2)cc1 1081086644 DNTMZEOTZORYNY-UHFFFAOYSA-N 488.946 6.401 50 10 JKGE O=C(NN=Cc1cc(Cl)cc(Br)c1O)c1cc2cc(Br)ccc2o1 1084097727 ZSEBPIPPKQYCNY-UHFFFAOYSA-N 472.520 5.081 50 10 JKGE CCOc1ccc(NC(=O)NN=Cc2cc(Br)c(Sc3ccc(Cl)cc3)o2)cc1 1084322260 NSUZWZZYQILYSX-UHFFFAOYSA-N 494.798 6.401 50 10 JKGE C=CCc1cc(C=NNC(=O)c2cc3ccccc3o2)cc(OCC)c1OCc1ccc(C)cc1 1084572282 PCPSVHYVODVVJM-UHFFFAOYSA-N 468.553 6.211 50 10 JKGE O=C(Cn1c2ccccc2c(=O)c2ccccc21)NN=Cc1ccc(-c2ccc(F)c(Cl)c2)o1 1565518950 TXOHROMVLLFVGH-UHFFFAOYSA-N 473.891 5.358 50 10 JKGE CCCCCCCCCCCC[C@@H](CCI)CCCCCCCCCC 1772502279 DKHBSHOVPGORSE-VWLOTQADSA-N 478.587 10.270 50 10 JKGE Cc1cccc(NC(=O)c2oc3c(c2C)C(=NNC(=O)c2cccc4ccccc24)CCC3)c1C 1772748242 PKGSARNGRBVCKB-UHFFFAOYSA-N 465.553 6.081 50 10 JKGE FC(F)(F)c1ccc(CBr)c(-c2c(Cl)c(Cl)c(Cl)c(Cl)c2Cl)c1 1848369303 PBQXPCBSJSJTIG-UHFFFAOYSA-N 487.357 8.534 50 10 JKGE N#CSc1ccc(NC(=O)Oc2ccc(CNC(=O)CCn3ccc4ccccc43)cc2)cc1 1858913273 ZOFQVYHUOGPDFO-UHFFFAOYSA-N 470.554 5.532 50 10 JKGE CCOc1ccc([C@@H]2C(C#N)=C(N)Oc3c2c(-c2ccc(OC)cc2)nn3-c2ccccc2)cc1 1865693957 NDUXIWLASOXADM-XMMPIXPASA-N 464.525 5.165 50 10 JKGE CCCOc1ccc([C@H]2C(C#N)=C(N)Oc3c2c(CC)nn3-c2cccc3ccccc23)cc1 1865694441 VJAFRBYURKHENN-VWLOTQADSA-N 450.542 5.595 50 10 JKGE CCCc1nn(Cc2c(F)cccc2Cl)c2c1[C@H](c1c[nH]c3ccccc13)C(C#N)=C(N)O2 1865700623 ZHAMXMLRMFRXNU-QFIPXVFZSA-N 461.928 5.376 50 10 JKGE CCCc1nn(CCC)c2c1[C@H](c1ccc(OCc3ccc(Cl)cc3Cl)cc1)C(C#N)=C(N)O2 1865701012 JRWKZRONTMUXLF-HSZRJFAPSA-N 497.426 6.350 50 10 JKGE COc1cc([C@H]2C(C#N)=C(N)Oc3c2c(-c2ccccc2)nn3-c2cccc(Cl)c2)ccc1O 1865706527 YNGOCYJIFVCVFA-QFIPXVFZSA-N 470.916 5.125 50 10 JKGE Cc1nc(-c2ccc(Cl)cc2)ccc1C(=O)NNC(=O)c1ccc(OCc2ccccc2)cc1 1865755700 MDXDRIORTBYSAG-UHFFFAOYSA-N 471.944 5.364 50 10 JKGE C[C@H](CC(=O)N[C@@H](Cc1ccc(F)cc1)C(=O)Nc1ccc(SC#N)cc1)c1cccc(Cl)c1 1867173850 FZMNWLBUKFDWPJ-OSPHWJPCSA-N 496.007 5.912 50 10 JKGE C[C@H]1CN(c2cc(Nc3ccc(SC#N)cc3)nc(-c3ccccc3)n2)C[C@H](C)N1c1ccccc1 1868364897 HDOGDKCXDNBYHN-VXKWHMMOSA-N 492.652 6.564 50 10 JKGE CCCc1nc(Nc2ccc(SC#N)cc2)cc(N2CCC[C@H]2C(=O)c2ccc(OC)c(C)c2)n1 1868388609 MAOCLNZORQLUQC-QFIPXVFZSA-N 487.629 5.915 50 10 JKGE CC(C)C[C@H](/C(O)=C(\C#N)c1nc(-c2cccc3ccccc23)cs1)N1C(=O)c2ccccc2C1=O 1872752105 NSDVWNJQLYCTCZ-SPICPHANSA-N 493.588 6.467 50 10 JKGE CCCCCCCOc1ccc(-c2csc(/C(C#N)=C(\O)[C@@H]3CC(=O)N(C(C)C)C3)n2)cc1 1872753082 HBBKKGCBHYYUGF-AYZDXIITSA-N 467.635 6.209 50 10 JKGE COc1ccc(-c2csc(/C(C#N)=C(\O)[C@@H]3CC(=O)N([C@H](C)c4ccccc4)C3)n2)c(C)c1C 1872753854 QJMNXPIVZSMEEK-WCIAPHRUSA-N 473.598 5.838 50 10 JKGE Cc1cc(C)c(C)c(-c2csc(/C(C#N)=C(\O)CCCOc3ccccc3Cl)n2)c1C 1872754104 CCIUSKAUHRGGCJ-QOCHGBHMSA-N 453.007 7.349 50 10 JKGE CCOc1ccc(-c2csc(/C(C#N)=C(O)/C=C/c3ccc(C(C)(C)C)cc3)n2)c(OCC)c1 1872755148 AHACLROCFYLZBE-FEUMAPRFSA-N 474.626 7.411 50 10 JKGE COc1cc(OC)c(-c2csc(/C(C#N)=C(\O)c3cc(Cl)ccc3OC)n2)cc1Cl 1872756265 GSXIWXGVLYCCOQ-ZHZULCJRSA-N 463.342 6.093 50 10 JKGE COc1c(Cl)cc(-c2csc(/C(C#N)=C(O)/C=C/c3cccc(Cl)c3)n2)cc1Cl 1872756352 YFGJJOCLWYZFFF-VDRRSSSNSA-N 463.773 7.285 50 10 JKGE CCCCCCOc1ccc(/C=C(\C#N)c2nc(-c3ccc(C(C)(C)C)cc3)cs2)cc1OC 1872792053 BQSLHEHQPWJEFQ-HAVVHWLPSA-N 474.670 8.139 50 10 JKGE Cl[C@H](c1cc(Br)ccc1OCc1ccccc1)c1ccsc1Br 1899866851 XXBXJUGIZJGDJI-KRWDZBQOSA-N 472.629 7.180 50 10 JKGE Fc1ccc(Cl)cc1[C@H](Br)c1sc(Br)cc1Br 1922934800 JXFSSLREKQPHBD-JTQLQIEISA-N 463.391 6.550 50 10 JKGE Cc1c(Br)sc([C@@H](Cl)c2cc(Br)ccc2Cl)c1Br 1922946025 MTCJOZGCFITAFH-JTQLQIEISA-N 493.873 7.326 50 10 JKGE Clc1c(Br)sc(Br)c1[C@@H](Cl)c1cscc1Br 1923055792 YXNIOOMGMXXUBA-LURJTMIESA-N 485.875 7.079 50 10 JKGE Clc1c(Br)sc(Br)c1[C@H](Br)c1cccs1 1923068553 TWHDURQGKJOKFA-ZCFIWIBFSA-N 451.430 6.472 50 10 JKGE Fc1cc(F)c([C@@H](Br)c2c(Br)sc(Br)c2Cl)c(F)c1 1923068643 UXEPCIHZWIXVDR-MRVPVSSYSA-N 499.371 6.828 50 10 JKGE FC1(F)[C@@H]([C@H](Cl)c2c(Br)sc(Br)c2Br)C12CC2 1924571383 QULLNHAJZCWNGA-RITPCOANSA-N 471.386 6.361 50 10 JKGE CC(C)(C)O[C@H]1C[C@@H]([C@H](Br)c2c(Cl)sc(Br)c2Cl)C1 1925565830 HRQXKVKFITYVOI-OOZYFLPDSA-N 451.051 6.847 50 10 JKGE Cc1sc([C@H](Br)Cc2ccccc2I)cc1Br 1940446220 XZYBEKMIOBOVGD-LLVKDONJSA-N 486.010 6.102 50 10 JKGE Cc1csc([C@H](Cl)c2c(Br)sc(Br)c2Cl)c1Br 1950882213 RHGYGAUVGRDVSL-ZCFIWIBFSA-N 499.902 7.387 50 10 JKGE C[C@H](C[C@H](Br)c1c(Br)sc(Br)c1Br)C1CC1 1983717863 ZFKBSBFLFJFLIG-VDTYLAMSSA-N 495.900 6.908 50 10 JKGE Cc1cc([C@H](Br)c2c(Br)sc(Br)c2Cl)sc1Cl 2000996713 AXBQUTWDNULXST-LURJTMIESA-N 499.902 7.434 50 10 JKGE Cc1c(Br)sc([C@H](Br)CC(F)(F)C(F)F)c1Br 2001807463 NPLQRJUBIYZXRJ-SCSAIBSYSA-N 462.926 6.308 50 10 JKGE C[C@@H]1OC2([C@@H](Br)c3c(Br)sc(Br)c3Cl)CC1C2 2017753886 ABBHEIUOEUHXCB-ZNBBGQGMSA-N 465.432 5.930 50 10 JKGE Cc1cc([C@@H](Br)c2cc(Br)ccc2I)sc1C 2017981544 FFVRCRYNHKVBRK-ZDUSSCGKSA-N 486.010 6.216 50 10 JKGE Cc1sc(Br)c([C@H](Br)c2cccc(I)c2)c1C 2024021178 AVMLDCGWTVGNPE-GFCCVEGCSA-N 486.010 6.216 50 10 JKGE CC[C@H](Br)CN(Cc1ccccc1)S(=O)(=O)c1ccc(Br)cc1C 2025938743 LKKVZYZLOBVGDE-INIZCTEOSA-N 475.246 5.122 50 10 JKGE CC(C)CC(CBr)(CBr)Cc1ccc(Cl)cc1Br 2028174011 HNCIYCLRYADWRD-UHFFFAOYSA-N 461.463 6.467 50 10 JKGE CC1(CC(CBr)(CBr)c2ccccc2Br)CSC1 2035385360 NESKUEAVUMCMFC-UHFFFAOYSA-N 457.069 5.620 50 10 JKGE C[C@H]1CN(Cc2ccccc2)CCN(c2c(CBr)ccc(Br)c2Cl)C1 2036849374 UIUVOKKGHWKQCK-HNNXBMFYSA-N 486.679 5.956 50 10 JKGE Cc1cc([C@H](Br)c2ccc(F)c(Br)c2F)c(Br)s1 2039500916 PASCOIAFCRRZGX-SECBINFHSA-N 460.963 6.344 50 10 JKGE Cc1sc(Br)c([C@H](Cl)c2c(Cl)sc(Br)c2Cl)c1C 2039507558 UCVGEBXXJHAPIU-ZETCQYMHSA-N 469.478 7.586 50 10 JKGE CC(=O)N(c1ccccc1)c1nc(C=C(C#N)S(=O)(=O)c2cc(Cl)ccc2Cl)cs1 2041501425 YKOWACHZFIHNEU-UHFFFAOYSA-N 478.382 5.473 50 10 JKGE CN(C[C@H]1C[C@@H](Br)C1)C(=O)c1ccc(Br)cc1NC(=O)OC(C)(C)C 2076211852 CYVNXXOHTMXLDA-BJHJDKERSA-N 476.209 5.042 50 10 JKGE CCOc1ccc(Cn2nc(CBr)c(Br)c2C(F)(F)F)cc1C 2079233600 ZWSUOHMVACXXPK-UHFFFAOYSA-N 456.100 5.315 50 10 JKGE Fc1cc(Cl)c([C@@H](Br)c2cc(Br)c(Cl)s2)cc1Cl 2083780346 KYJRLXYGMUPZJQ-SNVBAGLBSA-N 453.385 7.094 50 10 JKGE Fc1cc(Br)c(Cl)cc1[C@@H](Cl)c1c(Br)cccc1Br 2094091848 YQWIYTOCRLZBNC-CYBMUJFWSA-N 491.807 7.095 50 10 JKGE Fc1cc(Br)ccc1Oc1c(CBr)ccc(Br)c1Cl 2098115866 DVWVXBWRTUTPQI-UHFFFAOYSA-N 473.361 6.691 50 10 JKGE CN(Cc1ccc(Br)cc1Br)C1(CBr)CCSCC1 2114724662 JPKCQNYIXQHYFP-UHFFFAOYSA-N 472.084 5.304 50 10 JKGE COc1cc([C@H](Br)c2cc(Br)cs2)c(OC)cc1Br 2115925217 OVCQZVWLIIWLBI-ZDUSSCGKSA-N 471.008 5.775 50 10 JKGE FC1(F)CC2(C1)C[C@]2(CBr)Cc1ccc(Br)cc1Br 2132871026 CGGPTPUTQSPOQX-LBPRGKRZSA-N 458.966 5.955 50 10 JKGE CC1(C)CC[C@H](Cl)[C@H](CNc2ncc(I)cc2Br)C1 2133383480 FEFJRHYWBMTOGO-CABZTGNLSA-N 457.581 5.294 50 10 JKGE Cc1nn(C)c(Br)c1[C@H](Cl)c1ccc(Br)c(C)c1Br 2138862407 JUQSJVNJYCRCRM-GFCCVEGCSA-N 471.418 5.653 50 10 JKGE CC1(C)CC2(CC([C@H](Br)c3ccc(Br)cc3Br)C2)C1 2138866542 UQIRJHCEDDYJJG-AWEZNQCLSA-N 451.040 6.864 50 10 JKGE CCCN[C@@H](c1ccc(Br)c(C)c1Br)[C@H]1C[C@H](Br)C1 2138872895 VFUATXNBSKOTCS-UEKVPHQBSA-N 454.044 5.734 50 10 JKGE CC1(C)CCCC[C@]1(CBr)Cc1ccc(I)c(Cl)c1 2142957753 OERJKOBFFMUEAP-MRXNPFEDSA-N 455.605 6.469 50 10 JKGE COc1cc(Br)c(C)cc1[C@H](Br)c1ccc(Cl)cc1Br 2145957229 OIDAKSPGBFMWDH-OAHLLOKOSA-N 483.425 6.666 50 10 JKGE COc1cc(Br)c(C)cc1[C@@H](Br)c1cc(F)ccc1Br 2145959933 DFWDHBTYTAFKHQ-HNNXBMFYSA-N 466.970 6.152 50 10 JKGE BrCc1ccc(N2CCc3cc(Br)ccc3C2)c(Br)c1 2149910643 YJYWJUSMQOFJLS-UHFFFAOYSA-N 460.007 5.669 50 10 JKGE C[C@](CI)(OC[C@@H]1CCCCCO1)c1ccccc1Br 2152616880 AXLJYEMHDFZBAT-XJKSGUPXSA-N 453.158 5.075 50 10 JKGE ClCCc1nc2cc(Cl)c(Br)cc2n1C1[C@@H]2CN(Cc3ccccc3)C[C@@H]12 2169003954 KAALLLFWMDRWQU-HUUCEWRRSA-N 465.222 5.536 50 10 JKGE CCOc1ccc(Br)cc1[C@@H](Br)c1nc(CC)sc1Br 2169488853 WHVFXEGHTFFKRG-GFCCVEGCSA-N 484.051 6.114 50 10 JKGE COc1ccc(CBr)cc1S(=O)(=O)N(Cc1ccccc1)C1CCCCC1 2179857722 DEYXXLRSCDBCKA-UHFFFAOYSA-N 452.414 5.114 50 10 JKGE CCc1nn(C)c([C@@H](Br)c2ccc(C)c(Br)c2C)c1Br 2192385492 UCOPJAHRTLDGFJ-ZDUSSCGKSA-N 465.027 5.609 50 10 JKGE COc1cc2c(cc1Br)nc([C@@H](C)Cl)n2C[C@H](C)COCc1ccccc1 2202312272 RDNALZZTYHJTPX-LSDHHAIUSA-N 451.792 5.960 50 10 JKGE COc1cc([C@@H](Cl)c2ccc(Br)c(C)c2Br)ccc1Br 2203681301 AFICITKBQCJGIP-OAHLLOKOSA-N 483.425 6.619 50 10 JKGE Cc1ccc(I)c([C@@H](Br)c2ccc(Br)s2)c1 2212722152 LENRYLVIEXIUHM-GFCCVEGCSA-N 471.983 5.908 50 10 JKGE Clc1cc(Br)ccc1C[C@@H](Br)c1cc(Br)sn1 2215854606 STXUIBWYBKQXML-MRVPVSSYSA-N 460.416 6.000 50 10 JKGE CCN(C[C@](C)(CI)OCCCCC(F)(F)F)C(=O)OC(C)(C)C 2216439262 OYCFTXTUDOHURM-HNNXBMFYSA-N 467.310 5.186 50 10 JKGE Cc1sc([C@H](Cl)c2cc(Br)c(Br)cc2F)cc1Br 2218968198 IJVGJKUANNEDBW-GFCCVEGCSA-N 477.418 6.811 50 10 JKGE Fc1cc(Br)c(Br)cc1[C@H](Br)C1CC2(CCOC2)C1 2225617693 QIJMZBCKIIKTQS-FEUBCLPYSA-N 456.975 5.603 50 10 JKGE CCOc1ccc([C@@H](Br)c2sc(C)c(Br)c2C)c(Br)c1 2234468825 HYSWEJMYAXEXAM-CQSZACIVSA-N 483.063 6.773 50 10 JKGE Cc1cc(Br)c([C@@H](Br)Cc2cccc(Cl)c2)c(C)c1Br 2235604830 PHFDHKLTVGGRRB-AWEZNQCLSA-N 481.453 7.161 50 10 JKGE Cc1cc2c(cc1Cl)nc([C@H](C)Cl)n2CC1(N(Cc2ccccc2)Cc2ccccc2)COC1 2236861793 XARYZANGWPXWJC-NRFANRHFSA-N 494.466 6.769 50 10 JKGE Cc1cccc([C@@H](Br)c2ccc([C@H]3CCOC3)s2)c1I 2240431737 LWZGWGVYWSZTNG-XHDPSFHLSA-N 463.178 5.649 50 10 JKGE CC1(NC(=O)OCc2ccccc2)CCC(NCCSSCCNC(=O)OC(C)(C)C)CC1 2244533155 RVRAXZDRHGBSAT-UHFFFAOYSA-N 497.727 5.110 50 10 JKGE Cc1cc(Br)c([C@H](Cl)c2cc(I)sn2)c(C)c1F 2253513262 QETGCJFCPMWQAP-LLVKDONJSA-N 460.537 5.594 50 10 JKGE Cc1c(Br)sc([C@H](Br)[C@H]2CCC[C@@H]2C(F)F)c1Br 2257872927 WMGZEPOSGGPZLI-ACLDMZEESA-N 467.011 6.699 50 10 JKGE Cc1sc(Br)c(C)c1[C@@H](Br)c1cc(F)c(Br)cc1F 2267217297 FOMYTMKKCFMSLV-LBPRGKRZSA-N 474.990 6.652 50 10 JKGE Fc1cc(Br)c(F)c(Br)c1[C@H](Br)[C@@H]1CCC[C@H]2C[C@@H]21 2272726769 QKSDZDCCKAJSCG-FLNNQWSLSA-N 458.966 6.362 50 10 JKGE BrCc1cc(Br)cc(Br)c1OC[C@]12CCC[C@@H]1CC2 2273400711 LQPFEPIGBLDVML-IAQYHMDHSA-N 453.012 6.066 50 10 JKGE Fc1ccc([C@@H](Cl)Cc2cc(Br)cc(Br)c2)cc1Br 2277884257 IGYLVSOHWJXWOF-ZDUSSCGKSA-N 471.389 6.636 50 10 JKGE Cc1cccc(Oc2cc(CBr)sc2[N+](=O)[O-])c1I 2277897529 RBSYAMWJRNMENI-UHFFFAOYSA-N 454.083 5.257 50 10 JKGE COc1cc(C)c(Cl)cc1[C@H](Br)c1ccc(I)cc1 2277990371 JPRUQKHMUHJIFW-OAHLLOKOSA-N 451.529 5.746 50 10 JKGE CCn1cc([C@@H](Br)c2c(Br)cc(C)c(F)c2C)nc1Br 2279140365 XCPQNURUGVPQPL-GFCCVEGCSA-N 468.990 5.668 50 10 JKGE O=C(N[C@H](CCBr)C1CCCC1)c1ccc(Cl)c(I)c1 2283651210 DKLYSGIYFKUIKL-CQSZACIVSA-N 470.576 5.018 50 10 JKGE CC1CC2(C1)CC([C@H](Br)c1c(Br)cc(Cl)c(Cl)c1Cl)C2 2287685662 JABLQNDANGPUNF-FVBBEJJLSA-N 461.452 7.672 50 10 JKGE C[C@H](Br)CN(CC(C)(C)C)C(=O)c1cc(Cl)ccc1I 2288078305 KFNCFEHSOGTHMW-JTQLQIEISA-N 472.592 5.216 50 10 JKGE C[C@@]12CC[C@@]([C@H](Br)c3c(F)cc(Br)c(F)c3Br)(CO1)C2 2288357539 KTQWAKNIYQPXFI-RDBSUJKOSA-N 474.965 5.885 50 10 JKGE CC1(C)C[C@H](C[C@H](Br)c2c(F)cc(Br)c(F)c2Br)CO1 2288358959 ZPDBUMWWNOPFBT-YUMQZZPRSA-N 476.981 6.131 50 10 JKGE COCC1([C@@H](Br)c2c(F)cc(Br)c(F)c2Br)CCCC1 2288498441 GVEYRZHLZWYFLK-ZDUSSCGKSA-N 476.981 6.133 50 10 JKGE Cc1ccc(NC(=O)C(C#N)=Cc2c(C)n(Cc3ccc([N+](=O)[O-])cc3)c3ccccc23)cc1 2294193343 GWKUEQXLWLGKTE-UHFFFAOYSA-N 450.498 5.760 50 10 JKGE C=CCOc1ccc(-c2nn(-c3ccccc3)cc2C=C(C#N)C(=O)NC2CCCCC2)cc1C 2296729560 YBGLICADSBKVQE-UHFFFAOYSA-N 466.585 5.768 50 10 JKGE CC(C)(C)c1ccc(OCCn2cc(C=C(C#N)C(=O)NC3CCCCC3)c3ccccc32)cc1 2296968804 TWISLXOGJIAHOP-UHFFFAOYSA-N 469.629 6.374 50 10 JKGE O=C(NN=Cc1c(O)ccc2ccccc12)C(=Cc1cccs1)NC(=O)c1ccccc1Cl 2297451089 HBKJSGCWJDEUIZ-UHFFFAOYSA-N 475.957 5.182 50 10 JKGE Cc1ccc(NC(=O)C(C#N)=Cc2ccc(-c3ccc(I)cc3)o2)cc1 2313567425 HDQBDVRYYPRXAV-UHFFFAOYSA-N 454.267 5.405 50 10 JKGE COc1cc(C=C(C#N)C(=O)Nc2cccc(Cl)c2C)ccc1OCc1ccccc1F 2313676719 XJTBHKARPJTKQB-UHFFFAOYSA-N 450.897 5.921 50 10 JKGE CCCCCCCOc1ccccc1C=NNC(=O)c1ccc2nc(SC(C)C)[nH]c2c1 2323608813 PSSSJHCCKIDHHA-UHFFFAOYSA-N 452.624 6.177 50 10 JKGE N#CC(=C(O)c1cccc(Oc2ccccc2)c1)c1nc(-c2ccc(Oc3ccccc3)cc2)cs1 2331359034 STFFTLZIPZCCBS-UHFFFAOYSA-N 488.568 8.345 50 10 JKGE COc1c(C)cc(C)cc1-c1csc(C(C#N)=C(O)CNC(=O)c2ccc(C(C)(C)C)cc2)n1 2331371933 STXILHRDBFOXII-UHFFFAOYSA-N 475.614 5.956 50 10 JKGE CCOc1cc(C=C(C#N)c2nc(-c3ccccc3OC)cs2)ccc1OCc1ccccc1C 2331435998 BCVQTRWVXHXYFU-UHFFFAOYSA-N 482.605 7.169 50 10 JKGE CC(C)c1csc(C(C#N)=Cc2ccc(OCc3ccccc3)c(OCc3ccccc3)c2)n1 2331451392 YTYHCKAWOZBSML-UHFFFAOYSA-N 466.606 7.489 50 10 JKGE COc1cc(C=C(C#N)c2nc(-c3ccc(Cl)s3)cs2)ccc1OCCCc1ccccc1 2331485154 WGJQHEDDTXSHPP-UHFFFAOYSA-N 493.053 7.609 50 10 JKGE Cc1ccc(Oc2cc(Cl)c(C)cc2I)c(CBr)c1 2336558381 IFUFBGIZNXVUIV-UHFFFAOYSA-N 451.529 6.249 50 10 JKGE CCCC(CCC)[C@@H](Br)c1c(Cl)cc(Br)c(F)c1Br 2337114920 VHQJTFGCQPHECD-GFCCVEGCSA-N 479.453 7.657 50 10 JKGE COc1ccc([C@@H](Cl)c2c(Br)c(Br)nn2C)cc1Br 2338859084 BTGQJEMYOKTJOK-SNVBAGLBSA-N 473.390 5.044 50 10 JKGE Cc1cc(Br)c(F)c(Br)c1[C@H](Br)[C@H]1CCC[C@H](C)O1 2339658366 HHIHGKZNGXIFPO-MKPLZMMCSA-N 458.991 6.053 50 10 JKGE CC1(C)C[C@@H](CCl)CN(Cc2ccc(I)c(Br)c2)C1 2349826684 VHELLEPZCSIJBM-LBPRGKRZSA-N 456.593 5.141 50 10 JKGE FC1(F)CC2(C1)C[C@@]2(CCl)Cc1ccc(I)c(Br)c1 2349845275 NJDIPFLMQOWKGJ-GFCCVEGCSA-N 461.515 5.641 50 10 JKGE Fc1c(Br)cc(Cl)c([C@@H](Br)C[C@H]2CCCC23CC3)c1Br 2362231239 DNRCBFWDPSEILA-BDAKNGLRSA-N 489.448 7.411 50 10 JKGE Cc1cc(Br)c(F)c(Br)c1[C@@H](Br)[C@H](C)c1ccccc1 2365181270 VFBYFHCWRBDWKV-YGRLFVJLSA-N 464.998 6.899 50 10 JKGE COc1c(Br)cc(C)c([C@@H](Br)c2ccccc2C)c1Br 2365187576 BOFGSDFWIFFQAR-AWEZNQCLSA-N 463.007 6.321 50 10 JKGE Clc1cc(Cl)cc(CC[C@H](Cl)c2ccc(Br)cc2Br)c1 2366897254 PLXIQPHENUWRGF-HNNXBMFYSA-N 457.420 7.431 50 10 JKGE FC1(F)CC[C@]2(C1)[C@@H](Br)C[C@H]2OCc1cccc(I)c1 2367339370 GHUZUTBTIIBKDE-MJBXVCDLSA-N 457.096 5.149 50 10 JKGE CC[C@H](C)c1ccccc1O[C@H](CC)C(=O)NNC(=O)c1ccc(NC(=O)c2ccccc2C)cc1 10683388 XUNKTKDINSUBJJ-UQBPGWFLSA-N 487.600 5.379 50 10 JKGE CCCCCCOc1ccc(C(=O)NNC(=O)c2cccc(OCCOc3ccccc3)c2)cc1 14040949 GVZYWMKQNCACOL-UHFFFAOYSA-N 476.573 5.178 50 10 JKGE CC(C)(C)c1ccc(C(=O)NNC(=O)COc2ccc(-c3ccccc3)cc2Br)cc1 14642237 DVEXQHLSYXGLRP-UHFFFAOYSA-N 481.390 5.254 50 10 JKGE CCCCC1CCC(C(=O)Oc2ccc(/C=C(/C#N)c3ccc(Cl)cc3)cc2OC)CC1 31902172 VNXLDLXXZPULHI-KQWNVCNZSA-N 451.994 7.315 50 10 JKGE COc1cc(C=NNC(=O)c2cc3c(ccc4ccccc43)o2)cc(Cl)c1OCc1cccc(C)c1 33349318 VLFCWGOHBGBPDA-UHFFFAOYSA-N 498.966 6.899 50 10 JKGE COc1ccc(-c2nc(Cn3cccc3CN(Cc3cccs3)C(=O)CCl)cs2)cc1 34924050 KFHPCVMDPDFVKA-UHFFFAOYSA-N 472.035 5.498 50 10 JKGE COc1cc(/C=C(\C#N)C(=O)Nc2ccc(F)cc2)ccc1OCc1ccc(Cl)cc1Cl 35074607 JZJKIXRCMJQCLT-LICLKQGHSA-N 471.315 6.266 50 10 JKGE CCCCOc1ccc(C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@H]3c2cccc(OC)c2)cc1 38650190 VKDRFBCFASAUQH-SANMLTNESA-N 470.525 5.311 50 10 JKGE CCCOc1ccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)[C@@H](C)Oc4ccccc4F)ccc32)cc1 38650672 OOSOXAPYESZISB-QUGAMOGWSA-N 488.515 5.206 50 10 JKGE Cc1ccc(COc2cccc([C@H]3C(C#N)=C(N)Oc4cc(OC(=O)c5ccccc5)ccc43)c2)cc1 38686598 VHMKRPCGGUNSBN-GDLZYMKVSA-N 488.543 6.011 50 10 JKGE Cc1cc(C)c2c(C)c(C(=O)Oc3ccc4c(c3)OC(N)=C(C#N)[C@H]4c3cccc(Cl)c3)oc2c1 38687723 ZTKHSAGWSPVWPO-VWLOTQADSA-N 484.939 6.449 50 10 JKGE CCOc1ccccc1NC(=O)c1oc2c(c1C)/C(=N/NC(=O)c1ccc3ccccc3n1)CCC2 40825740 ZBWXDKLNCBDMDA-NJZRLIGZSA-N 482.540 5.258 50 10 JKGE CCCCOc1ccc(NC(=O)c2oc3c(c2C)/C(=N/NC(=O)c2ccccc2O)CCC3)cc1 40826428 WYLDYZHBZSLCJC-XHLNEMQHSA-N 475.545 5.195 50 10 JKGE CCOc1ccc([C@H](O)CCC(=O)N/N=C\c2cc(C)n(-c3ccc(C(C)C)cc3)c2C)cc1 58893362 HCUWVFHQDLWBRN-HXCVMZKZSA-N 461.606 5.580 50 10 JKGE N#C/C(=C\c1cccc(OCc2ccc(Cl)cc2Cl)c1)C(=O)Nc1cccc(Cl)c1 59117121 BUPWPQRJIJQGKO-RQZCQDPDSA-N 457.744 6.771 50 10 JKGE N#C/C(=C\c1cc(Br)c(Sc2ccc(Cl)cc2)o1)C(=O)NCc1ccccc1 59302423 NELMDHIIWIOQKZ-XNTDXEJSSA-N 473.779 6.070 50 10 JKGE O=C(N/N=C/c1ccccc1Oc1ccc(C(F)(F)F)cc1[N+](=O)[O-])c1cc(F)c(F)cc1Cl 59500336 KPTFMBCMIBAMBQ-ORBVJSQLSA-N 499.779 6.101 50 10 JKGE C[C@@H](/C=C(/C#N)c1nc(-c2cccs2)c(NC(=O)c2ccc(Cl)cc2)s1)c1ccccc1 102619425 SODJDTCBBZWDDH-UYPHOHSBSA-N 476.026 7.488 50 10 JKGE CCCOc1ccc(-c2nn(-c3ccccc3)cc2/C=C(/C#N)S(=O)(=O)c2ccccc2)cc1 102858391 JFXALAQOBBDTJS-ITYLOYPMSA-N 469.566 5.666 50 10 JKGE COc1cc(Br)c([C@H](Br)Cc2ccc(Br)cc2)cc1OC 109860546 BCJKYOBVSHNTDT-CYBMUJFWSA-N 479.006 5.908 50 10 JKGE Cc1ncsc1CCC(CBr)(CBr)c1ccc(Br)cc1 118878579 GIBSSXNYNZWCIZ-UHFFFAOYSA-N 482.079 5.874 50 10 JKGE C[C@H]([C@H]1CCC[C@@H]1P(c1ccccc1)c1ccccc1)N(C)P(c1ccccc1)c1ccccc1 148012408 XTEZRKIYDYCSEW-WBKIGWJKSA-N 495.587 6.656 50 10 JKGE Fc1cccc(CC(CBr)(CBr)c2ccccc2Cl)c1Br 157925135 VBVYIDRHCZZCLI-UHFFFAOYSA-N 499.443 6.512 50 10 JKGE CCOc1cc(/C=N\NC(=O)Cc2ccccc2)ccc1OCc1ccc(Cl)c(Cl)c1 169900867 LXWSZBONBRSZQT-DICXZTSXSA-N 457.357 5.664 50 10 JKGE COC(=O)/C(C#N)=C\c1cccc(OC(=O)/C=C\c2ccc(OCc3ccc(C)cc3)cc2)c1 206745022 ZJHRADLFGAXOON-HRECDFGPSA-N 453.494 5.273 50 10 JKGE COc1cc(Br)c(Oc2cc(Cl)ccc2CBr)cc1Br 218337176 FMJIGZUBGRVTCN-UHFFFAOYSA-N 485.397 6.561 50 10 JKGE O=C(NN=Cc1c2ccccc2cc2ccccc12)C(=O)NN=Cc1c2ccccc2cc2ccccc12 254517837 OKYILZMQCXOBII-UHFFFAOYSA-N 494.554 5.900 50 10 JKGE CCOc1ccc(Br)cc1C(=O)NN=Cc1ccccc1OCc1ccccc1 254519854 PZOPTIQKGZPXNB-UHFFFAOYSA-N 453.336 5.191 50 10 JKGE CCCCCCC(CCCCCCCCC(CCCCCC)=NNC(N)=O)=NNC(N)=O 254629281 RQRKBQTZRPVZNF-UHFFFAOYSA-N 452.688 6.097 50 10 JKGE CCCCOc1ccc(C(=O)NN=Cc2ccc(OC(=O)c3ccc(OCC)cc3)c(OC)c2)cc1 254746886 MEAYYWYNYRSYRT-UHFFFAOYSA-N 490.556 5.256 50 10 JKGE CCOc1ccc(C(=O)Oc2ccc3ccccc3c2C=NNC(=O)c2ccccc2C)cc1 254799748 KFHOQOHWNPHSOT-UHFFFAOYSA-N 452.510 5.530 50 10 JKGE CCCCCCCCOc1ccc(-c2cc(C(=O)NN=Cc3ccccc3OCC(=O)O)[nH]n2)cc1 254826490 CYMWGFJKLMRZBM-UHFFFAOYSA-N 492.576 5.043 50 10 JKGE CC(C)OC(=O)c1ccc2ccccc2c1OC(=O)[C@@]12CC[C@@](C)([C@H]1Br)C2(C)C 256019848 IDNFNNGKTRIHOF-FGCOXFRFSA-N 459.380 5.900 50 10 JKGE 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 257418116 FPFAZZFTBDKRJL-OPOOQKEISA-N 496.688 6.212 50 10 JKGE biogenic BrCc1cc2scc(I)c2cc1I 306942140 RZOGQHVWFMHSCM-UHFFFAOYSA-N 478.918 5.005 50 10 JKGE COc1cc(Cl)c([C@@H](Br)c2ccccc2OCc2ccccc2)cc1Cl 311992443 QFCVNPWFHPWYLV-NRFANRHFSA-N 452.175 7.065 50 10 JKGE C[C@@H](Cl)c1nc2cc(I)ccc2n1[C@H](C)CCOCc1ccccc1 389672473 QCCNRTVWORXOGY-HUUCEWRRSA-N 468.766 6.109 50 10 JKGE Clc1ccc(Br)c([C@@H](Br)c2cc(Cl)c(Cl)c(Cl)c2Cl)c1 405062634 BNEPOXNXYTYPGY-SNVBAGLBSA-N 498.256 8.200 50 10 JKGE CCC(CC)([C@H](Br)c1cc(Br)sc1Br)C(F)(F)F 690950611 YOSCVNDNLKKDDM-MRVPVSSYSA-N 472.990 7.078 50 10 JKGE CCCOc1ccc([C@@H](Br)c2occc2Br)cc1Br 696527904 MTCAUZDWEOXPGJ-CYBMUJFWSA-N 452.968 6.078 50 10 JKGE CO[C@](C)(COCc1ccccc1)Cn1c(CCl)nc2cc(Br)c(F)cc21 705660579 UEHZTJNNDNPPGG-FQEVSTJZSA-N 455.755 5.299 50 10 JKGE COCC(C)(C)CC(CBr)(CBr)c1cccc(Br)c1 712656174 HWGGERDHDPUASJ-UHFFFAOYSA-N 457.044 5.539 50 10 JKGE Fc1cc(Br)cc(CBr)c1OCCc1ccc(Br)cn1 715745897 RHDQVQSDUPWVAZ-UHFFFAOYSA-N 467.958 5.262 50 10 JKGE COc1ccc([C@H](Br)c2ccc(I)c(Br)c2)s1 721590412 XSNNKBUWKJTUGC-GFCCVEGCSA-N 487.982 5.608 50 10 JKGE O=C(NN=C1C(=O)N(Cc2cccc3ccccc23)c2ccccc21)c1cc(F)c(F)cc1Cl 1083993160 YEICBBHCEQBQMR-UHFFFAOYSA-N 475.882 5.452 50 10 JKGE O=C(Nc1ccccc1C(=O)NN=Cc1ccc(OCc2ccc(Cl)cc2)cc1)c1ccco1 1084546601 DSUOIMXPIYOBDG-UHFFFAOYSA-N 473.916 5.528 50 10 JKGE FC(F)(F)c1nc(-c2cc(Br)ccc2I)sc1CCl 1614903525 ATHVFLAGPQFTAZ-UHFFFAOYSA-N 482.490 5.935 50 10 JKGE CN(C)c1ccc([C@@H]2C(C#N)=C(N)Oc3c2c(C(F)(F)F)nn3-c2cccc3ccccc23)cc1 1865682903 AESHWSYRVDKRBK-OAQYLSRUSA-N 475.474 5.328 50 10 JKGE Cc1ccc(C)c(Cn2nc(C(F)(F)F)c3c2OC(N)=C(C#N)[C@H]3c2ccc(Cl)cc2)c1 1865683012 CUULUMVGPQREIC-GOSISDBHSA-N 458.871 5.439 50 10 JKGE CCCOc1ccc([C@H]2C(C#N)=C(N)Oc3c2c(CCC)nn3-c2ccc(C)cc2)cc1OCC 1865687995 GFROPQFWSRDILL-VWLOTQADSA-N 472.589 5.539 50 10 JKGE N#CC1=C(N)Oc2c(c(-c3ccccc3)nn2-c2ccccn2)[C@H]1c1ccc(OCc2ccccc2)cc1 1865689683 CJNUFNMIEIYXHS-MHZLTWQESA-N 497.558 5.731 50 10 JKGE CCN(Cc1ccccc1)c1ccc([C@H]2C(C#N)=C(N)Oc3c2c(C)nn3-c2ccc(Cl)cc2)cc1 1865707105 NPPBMGXKHJSHRT-MHZLTWQESA-N 496.014 6.079 50 10 JKGE CCc1nn(Cc2cccc(Cl)c2)c2c1[C@@H](c1ccc(C(F)(F)F)cc1)C(C#N)=C(N)O2 1865711010 NXNKFTDINBRGCD-IBGZPJMESA-N 458.871 5.384 50 10 JKGE COc1ccc([C@@H]2C(C#N)=C(N)Oc3c2c(-c2ccccc2)nn3-c2ccccc2Cl)cc1 1865712922 MBHSMMICFBFPTG-JOCHJYFZSA-N 454.917 5.419 50 10 JKGE CC[C@@H](NC(=O)[C@@H](c1ccc(Cl)c(Cl)c1)C(C)C)C(=O)Nc1ccc(SC#N)cc1 1866992528 UMSYPZSHYNKMHU-WOJBJXKFSA-N 464.418 5.840 50 10 JKGE CC[C@](C)(NC(=O)CCc1nc(-c2ccc(F)cc2)cs1)C(=O)Nc1ccc(SC#N)cc1 1867069158 NDAJYXVOLVPKLF-DEOSSOPVSA-N 482.606 5.379 50 10 JKGE CC(C)(C)c1csc(/C(C#N)=C(\O)CCCOc2ccc(Cl)cc2Br)n1 1872748535 BPMXBUZNWDCYMK-SQFISAMPSA-N 455.805 6.508 50 10 JKGE COc1cc(/C=C/C(O)=C(\C#N)c2nc(-c3ccc(C(C)(C)C)cc3)cs2)cc(OC)c1OC 1872750378 CQQAGYBQYALOGY-VBTFZSHZSA-N 476.598 6.639 50 10 JKGE N#C/C(=C(/O)[C@@H]1CC(=O)N(Cc2ccccc2)C1)c1nc(-c2cccc3ccccc23)cs1 1872751966 JGEPQCOMQSNSJO-HZYJKNPPSA-N 451.551 5.805 50 10 JKGE CCCCCCCOc1ccc(-c2csc(/C(C#N)=C(\O)c3ccnc(Cl)c3)n2)cc1 1872753044 FKHITWAHRXTIDZ-ATJXCDBQSA-N 453.995 7.158 50 10 JKGE COc1cc(C)c(-c2csc(/C(C#N)=C(\O)c3cc([N+](=O)[O-])cc([N+](=O)[O-])c3)n2)cc1C(C)C 1872753511 AIQPUNUKUNNJNN-QOCHGBHMSA-N 480.502 6.017 50 10 JKGE CCOc1ccc(OCC)c(-c2csc(/C(C#N)=C(O)/C=C/c3cccc([N+](=O)[O-])c3)n2)c1 1872754783 IVFHOPDUMONGAW-NEUFDEOWSA-N 463.515 6.022 50 10 JKGE CCOc1ccc(-c2csc(/C(C#N)=C(\O)c3c(OC)cccc3OC)n2)c(OCC)c1 1872755677 ZOWVTOUXTUIILE-QJOMJCCJSA-N 452.532 5.575 50 10 JKGE COc1ccc(-c2csc(/C(C#N)=C(\O)CCc3nc4ccccc4[nH]c3=O)n2)c2ccccc12 1872758920 WUSXBBRWQWEVNZ-CLCOLTQESA-N 480.549 5.634 50 10 JKGE COc1ccc(-c2csc(/C(C#N)=C/c3ccccc3OCc3ccc(Cl)cc3)n2)cc1 1872781044 SCNJGTIAICTBFT-KGENOOAVSA-N 458.970 7.115 50 10 JKGE CCOc1cc(/C=C(\C#N)c2nc(-c3ccccc3Cl)cs2)ccc1OCc1ccccc1 1872781083 UKWYJBHRYGISIT-KGENOOAVSA-N 472.997 7.505 50 10 JKGE Cc1cc(-c2csc(/C(C#N)=C/c3ccccc3OCc3ccccc3Cl)n2)ccc1F 1872791052 TVRARQKCTMBIEC-FYJGNVAPSA-N 460.961 7.554 50 10 JKGE COc1ccc(C(C)(C)C)cc1-c1csc(/C(C#N)=C/c2cc(Cl)c(O)c(OC)c2)n1 1872793384 XCUYGHJZIDSYHZ-OVCLIPMQSA-N 454.979 6.548 50 10 JKGE COc1ccc(C)cc1-c1csc(/C(C#N)=C(\O)c2cc([N+](=O)[O-])cc([N+](=O)[O-])c2C)n1 1873921245 ZBUWFDZYZBKGCT-SILNSSARSA-N 452.448 5.202 50 10 JKGE Cc1c(Br)sc([C@H](Cl)c2csc(Br)c2)c1Br 1922928831 CYPNKSZVXJXZRL-MRVPVSSYSA-N 465.457 6.734 50 10 JKGE COc1ccc([C@H](Br)c2sc(Br)cc2Br)c(F)c1 1922947070 YJDXFZOKNSPFPF-NSHDSACASA-N 458.972 5.905 50 10 JKGE CC[C@@H]1OCC[C@H]1[C@@H](Br)c1c(Br)sc(Br)c1Cl 1923071582 JWPPVCRJWIGGFY-GKROBHDKSA-N 467.448 6.178 50 10 JKGE Clc1csc([C@@H](Br)c2c(Cl)sc(Br)c2Cl)c1Cl 1925555224 OGALUQGCUJIUME-BYPYZUCNSA-N 475.869 7.670 50 10 JKGE COc1ccc(Br)cc1[C@@H](Cl)c1c(Cl)sc(Br)c1Cl 1925588176 DLTUNMSRDLMRAX-SECBINFHSA-N 465.421 6.917 50 10 JKGE Cc1sc(Br)c([C@@H](Cl)c2cc(Br)sc2Br)c1C 1951014103 DUQQTDZBVGEDFB-VIFPVBQESA-N 479.484 7.042 50 10 JKGE Clc1cc([C@H](Br)c2cc(Br)c(Cl)s2)sc1Br 1981407969 VTCIQPLIYVLISY-SSDOTTSWSA-N 485.875 7.126 50 10 JKGE FC(F)(F)c1csc([C@H](Br)C2(Br)CCC2)c1Br 2002787814 OPRZXYNIVQCCNC-QMMMGPOBSA-N 456.947 6.283 50 10 JKGE Cc1c(Br)ccc([C@H](Cl)c2sccc2Br)c1Br 2024279401 NAOWRZAFCFGUQC-NSHDSACASA-N 459.428 6.672 50 10 JKGE N#CC(=Cc1sc(N2CCOCC2)nc1-c1ccccc1)c1nc2ccccc2n1C(F)F 2040499653 MELVZGUEZFWIAS-UHFFFAOYSA-N 463.513 5.456 50 10 JKGE Cc1c(Cl)cc(CC(CBr)(CBr)C(C)C)cc1Br 2048495398 BBGZVIVMHWTZIX-UHFFFAOYSA-N 461.463 6.386 50 10 JKGE Cc1cc(Br)c([C@@H](Br)CCCC(F)(F)F)cc1Br 2080316324 PJXSJXOZIMLTNI-VIFPVBQESA-N 452.934 6.689 50 10 JKGE Fc1cc(Br)c([C@H](Cl)c2cc(I)sn2)c(F)c1Cl 2081839446 VYGBKQCBUGTELO-SECBINFHSA-N 484.918 5.770 50 10 JKGE Clc1cccc(C[C@@H](Cl)c2ccc(Br)cc2I)c1 2086145118 IWZLFGLDNJFUGO-CYBMUJFWSA-N 455.948 6.230 50 10 JKGE CCN(C[C@@](C)(CI)OCC1(COC)CCCCC1)C(=O)OC(C)(C)C 2094487045 NZAOZXCYYHPCMG-LJQANCHMSA-N 483.431 5.051 50 10 JKGE Cc1cc(Br)cc([C@H](Br)c2cc(Br)c(Cl)cc2F)c1 2097833165 ALNSEMRCSDJHFR-AWEZNQCLSA-N 471.389 6.797 50 10 JKGE ClCc1nc2cc(Br)c(Cl)cc2n1C1[C@H]2CN(Cc3ccccc3)C[C@H]12 2103622218 NDZWVYDVTATGAC-KBPBESRZSA-N 451.195 5.494 50 10 JKGE Brc1cc([C@@H](Br)[C@H]2CC3(CCCCC3)CO2)c(Br)s1 2109978344 DDUAHSSBLDNUJX-ZYHUDNBSSA-N 473.068 6.449 50 10 JKGE C[C@]1([C@@H](Br)c2cc(Br)ccc2Br)CCCCC1(F)F 2111656885 MMUQSPRNMAJOMX-QWHCGFSZSA-N 460.982 6.863 50 10 JKGE Cc1cc(S(=O)(=O)N(Cc2ccccc2)Cc2cccs2)ccc1CBr 2123198667 HBXLAEJHQZOLFL-UHFFFAOYSA-N 450.423 5.343 50 10 JKGE COc1c(C)cc(Br)cc1[C@@H](Br)c1cc(Br)oc1C 2141622778 OGUMOVZJTUXROQ-ZDUSSCGKSA-N 452.968 5.914 50 10 JKGE O=C(c1csc(Br)c1Br)N1CCCC[C@H]1CCCBr 2141708732 QNBYASSYPCDXRD-VIFPVBQESA-N 474.056 5.443 50 10 JKGE Brc1ccc([C@@H](Br)c2ccc3c(c2)CCC3)c(I)c1 2142285979 AHMUVGSXZPFJJH-INIZCTEOSA-N 491.992 6.027 50 10 JKGE CCOc1ccc([C@H](Cl)Cc2ccccc2I)c(Br)c1 2143868807 SASZIWZGPJPRNR-OAHLLOKOSA-N 465.556 5.975 50 10 JKGE C[C@H]1Cc2cc([C@H](Cl)c3cccc(I)c3)cc(Br)c2O1 2146616252 ONSRDJNFQLBSNE-BJOHPYRUSA-N 463.540 5.705 50 10 JKGE C[C@H](Cl)c1nc2cncc(Br)c2n1[C@H]1CCOC[C@@H]1OCc1ccccc1 2151789596 NASKLQJFMHJHIK-KKXDTOCCSA-N 450.764 5.040 50 10 JKGE C[C@]1(n2c(CCCl)nc3cc(Cl)c(Br)cc32)CCN(Cc2ccccc2)C1 2168999186 PFTPDLGMPJEPGK-NRFANRHFSA-N 467.238 5.855 50 10 JKGE CN(Cc1ccccc1Br)c1cc(Br)cc(F)c1CBr 2170699760 UJEXEIKBCVSOIV-UHFFFAOYSA-N 465.986 5.882 50 10 JKGE C[C@H]1CN(C(=O)c2ccc(Br)cc2Br)CC[C@@H]1CCBr 2172471106 BZZBSUZNYDSQRY-QWRGUYRKSA-N 468.027 5.095 50 10 JKGE Cc1c(CBr)cccc1S(=O)(=O)N(Cc1ccccc1)CC1CCCCC1 2179781074 USPHBEWYVMEXCD-UHFFFAOYSA-N 450.442 5.661 50 10 JKGE Cc1nn(C)c(Br)c1C[C@@H](CBr)Cc1ccccc1Br 2185799535 VHADUALKQDTFSL-NSHDSACASA-N 465.027 5.050 50 10 JKGE FCCOc1ccc([C@H](Cl)c2c(Br)sc(Br)c2Cl)cc1 2189495272 OUEDXIGFJXYIPY-JTQLQIEISA-N 462.993 6.603 50 10 JKGE COc1cc(C)c([C@@H](Br)c2c(F)cccc2Br)cc1Br 2198737928 URJSHFNSKFWDLO-OAHLLOKOSA-N 466.970 6.152 50 10 JKGE Cc1cc([C@H](Br)c2c(C)c(Br)cc(C)c2Br)ccc1Cl 2201068938 IOIHQQRSRHHYGG-INIZCTEOSA-N 481.453 7.275 50 10 JKGE FC1(F)C[C@@H](c2sc(Br)c(Br)c2Br)[C@H](Cl)C1 2212199912 HPXQNNKVKLZEIR-QWWZWVQMSA-N 459.375 6.156 50 10 JKGE Cc1c(Br)sc([C@H](Cl)c2ccc(F)cc2I)c1C 2218787394 JKYWPQQNGNLSOG-LLVKDONJSA-N 459.549 6.199 50 10 JKGE Fc1cc(F)c([C@H](Cl)c2cc(I)sn2)c(F)c1Br 2220499799 RLAGCZAUTIIOST-SECBINFHSA-N 468.463 5.256 50 10 JKGE CCC(F)(F)C(C)(C)[C@@H](Br)c1cc(Br)c(Br)cc1F 2225616353 OOIJFLMSKFXSGQ-NSHDSACASA-N 466.961 6.858 50 10 JKGE Cc1cc(Br)c(CBr)c(N2C[C@@H]3CCC[C@H](C2)N3Cc2ccccc2)c1 2226351613 OUTXLJGVDIEPDI-KDURUIRLSA-N 478.272 5.896 50 10 JKGE Fc1ccc(Cl)c(F)c1[C@H](Cl)c1c(Br)sc(Br)c1Cl 2226585608 JQRADCGWWUAICD-ZETCQYMHSA-N 471.375 7.186 50 10 JKGE Cc1cc(Br)c([C@H](Br)[C@](C)(F)C(C)(C)F)c(C)c1Br 2227349172 BOUTUDQTKCNADB-JSGCOSHPSA-N 462.998 6.741 50 10 JKGE Cc1oc(Br)cc1[C@@H](Br)c1c(F)cc(F)c(Br)c1F 2227810808 YKSDPFKXXDVQBN-SNVBAGLBSA-N 462.885 6.015 50 10 JKGE Cc1cc([C@H](Br)c2ccc3c(c2Br)CCO3)sc1Br 2229740770 BWSQUVKQZQWOHH-CYBMUJFWSA-N 467.020 6.001 50 10 JKGE COc1cc([C@@H](Br)c2sc(C)cc2Br)c(OC)cc1Br 2237632954 FNGRWYYEPDPBMF-CYBMUJFWSA-N 485.035 6.083 50 10 JKGE COc1ccc([C@H](Cl)c2csc(I)c2)cc1I 2248885366 KCQGQSIYFXDLKT-LBPRGKRZSA-N 490.531 5.294 50 10 JKGE COc1cc(Cl)c(Cl)cc1[C@@H](Br)c1csc(I)c1 2253421799 DXBWAGAALYRMEY-LBPRGKRZSA-N 477.976 6.152 50 10 JKGE CCc1nc([C@H](Br)c2cc(CC)c(Br)s2)c(Br)s1 2256052719 LPYUGAQCZFJQQZ-SECBINFHSA-N 474.081 6.339 50 10 JKGE Cc1c(Br)sc([C@H](Br)[C@@H]2CCC[C@H]2C(F)F)c1Br 2257872930 WMGZEPOSGGPZLI-ZXFLCMHBSA-N 467.011 6.699 50 10 JKGE COc1cc(Br)c([C@H](Br)c2cc(Br)co2)cc1OC 2270466468 YOOOZTLJWRJEDM-ZDUSSCGKSA-N 454.940 5.306 50 10 JKGE Fc1cc(C[C@@H](Cl)c2c(Br)sc(Br)c2Cl)ccc1Cl 2277800372 YQGCMOPZBDATHI-SSDOTTSWSA-N 467.412 7.242 50 10 JKGE CCC12COC([C@H](Br)Cc3cc(Br)cc(Br)c3)(C1)C2 2277953490 SDLLPKYFFFNLBT-WLYUNCDWSA-N 453.012 5.477 50 10 JKGE Brc1cc(Br)cc(C[C@H](Br)[C@@H]2COC3(CCC3)C2)c1 2277961160 PRSRTRPSKLMHFC-FZMZJTMJSA-N 453.012 5.477 50 10 JKGE Clc1ccc(Cl)c([C@H](Br)c2cc3sc(Br)cc3s2)c1 2278099429 DXPMCAZNHKMMMJ-ZDUSSCGKSA-N 457.039 7.516 50 10 JKGE Fc1cc(Br)ccc1CO[C@@H](CI)c1ccc(Cl)cc1 2281374308 VZNHYRSJPZXJRH-HNNXBMFYSA-N 469.519 5.935 50 10 JKGE COc1cc(C)c(Br)c(C)c1[C@H](Br)c1cc(Br)sc1C 2285063712 ITODMUUXXCCBTO-OAHLLOKOSA-N 483.063 6.691 50 10 JKGE C[C@@H](c1ccncc1Br)[C@@H](Br)c1cc(Br)c(F)cc1Cl 2285977553 GPBCONAAPUPJTI-JKYUHCHBSA-N 486.404 6.639 50 10 JKGE Cc1cc(F)ccc1[C@@H](Br)c1c(F)cc(Br)c(F)c1Br 2288374078 PDKYNBUVXCDYBR-GFCCVEGCSA-N 472.924 6.422 50 10 JKGE CCCCCOc1ccc(C=C(C#N)C(=O)Nc2ncc(Cc3ccccc3)s2)cc1OC 2293039023 UZDRZGGUISCGJH-UHFFFAOYSA-N 461.587 5.857 50 10 JKGE COCc1cc(Br)c([C@H](Br)c2ccc(C(F)(F)F)s2)s1 2295256647 OIJKABBDYSTNKJ-SNVBAGLBSA-N 450.139 6.222 50 10 JKGE COc1ccc(Cl)cc1[C@H](Br)c1cc2sc(Br)cc2s1 2295403140 SIXOLKXQKQIKRM-AWEZNQCLSA-N 452.620 6.872 50 10 JKGE CCOc1cc(C=C(C#N)C(=O)NCc2ccco2)ccc1OCc1cccc2ccccc12 2295462117 VKDWVBCDTZIUNC-UHFFFAOYSA-N 452.510 5.634 50 10 JKGE CCOC(=O)c1c(NC(=O)C(C#N)=Cc2ccc(-c3ccc(F)cc3)o2)sc2c1CC[C@@H](C)C2 2296500361 KXYWKKQGFRNSRN-OAHLLOKOSA-N 478.545 5.994 50 10 JKGE COc1ccc(-c2nn(-c3ccccc3)cc2C=C(C#N)c2nc3ccccc3s2)cc1F 2296714380 RNGDJSCCQGXLLD-UHFFFAOYSA-N 452.514 6.361 50 10 JKGE N#CC(=Cc1ccc(-c2ccc([N+](=O)[O-])cc2Cl)o1)C(=O)Nc1sc2c(c1C(N)=O)CCCC2 2296836374 AADRPBMIPJYSCJ-UHFFFAOYSA-N 496.932 5.093 50 10 JKGE N#CC(=Cc1ccc(OCc2ccccc2)cc1)c1csc(-c2cc3ccccc3oc2=O)n1 2297449096 QNVANNZXDVVNSF-UHFFFAOYSA-N 462.530 6.560 50 10 JKGE N#CC(=CNc1cccc([N+](=O)[O-])c1)c1nc(-c2cc3c(ccc4ccccc43)oc2=O)cs1 2297449100 STXFBTLOVPAUTK-UHFFFAOYSA-N 466.478 5.954 50 10 JKGE Cc1cc([N+](=O)[O-])ccc1-c1ccc(C=C(C#N)C(=O)Nc2ccc([N+](=O)[O-])cc2Cl)o1 2297551490 NRQGBFQPHZPKPP-UHFFFAOYSA-N 452.810 5.271 50 10 JKGE Brc1ccc(OCc2ccccc2)c([C@@H](Br)[C@@H]2C[C@H]3CC[C@@H]2C3)c1 2299493948 MMSHVMHCUOSROK-LZKITUNOSA-N 450.214 6.900 50 10 JKGE CC[C@H](CC(C)C)[C@H](Br)c1ccc(OCc2ccccc2)cc1Br 2299534214 BARJMEUKIVCZKQ-UTKZUKDTSA-N 454.246 7.536 50 10 JKGE Cc1cc(Br)c([C@@H](Cl)c2cnsc2Br)cc1Br 2300291582 YFWNAVWVBYHPRN-SNVBAGLBSA-N 460.416 6.067 50 10 JKGE Brc1cc(OCc2ccccc2)ccc1[C@@H](Br)[C@@H]1O[C@H]2CC[C@H]1C2 2307420581 NMKIEJCEMZCMLZ-QTLCSOKXSA-N 452.186 6.032 50 10 JKGE COc1ccc(C(=O)Oc2ccc(C=C(C#N)C(=O)Nc3ccc(Cl)c(Cl)c3)cc2)cc1 2313631354 OMQFJSBBAHOGJF-UHFFFAOYSA-N 467.308 5.767 50 10 JKGE Cc1c(Cl)cccc1NC(=O)C(C#N)=Cc1cn(Cc2ccc(Cl)cc2)c2ccccc12 2313683512 XCJKYUGRQMMCDQ-UHFFFAOYSA-N 460.364 6.851 50 10 JKGE CCOc1cc(C=C(C#N)C(=O)Nc2cc(Cl)ccc2C)ccc1OCc1ccccc1Cl 2313738539 GTAAVYNIAKLALG-UHFFFAOYSA-N 481.379 6.825 50 10 JKGE Fc1cc(Cl)c(Br)c(Cl)c1[C@@H](Br)c1coc(Br)c1 2313753807 ITPXOBVVEJVYQM-VIFPVBQESA-N 481.768 6.735 50 10 JKGE Clc1ccc([C@H](Cl)c2ccc(OCc3ccccc3)cc2Br)cc1Cl 2314494333 IBTPJSVWZLKPDT-FQEVSTJZSA-N 456.594 7.663 50 10 JKGE Cc1c(F)cccc1[C@H](Br)c1ccc(OCc2ccccc2)cc1Br 2314502596 KKHAVRSCPHGUFX-NRFANRHFSA-N 464.172 6.960 50 10 JKGE CCCOc1ccc(C=CC(=O)Nc2cccc(C(=O)Nc3ccc(SC#N)cc3)n2)cc1 2318781161 DUWRNXKOCRTOCX-UHFFFAOYSA-N 458.543 5.348 50 10 JKGE COc1ccc(CCC(=O)Oc2ccc(C=C(C#N)c3cccc(Cl)c3)cc2OC)cc1OC 2320506607 NBIQZHAKDKHPDJ-UHFFFAOYSA-N 477.944 5.968 50 10 JKGE Cc1ccc2nc(-c3ccc(NC=C(C#N)C(=O)Nc4cc([N+](=O)[O-])ccc4Cl)cc3)sc2c1 2325255344 IMEOEMGTICGSEQ-UHFFFAOYSA-N 489.944 6.291 50 10 JKGE CC(C)Oc1cccc(C=CC(=O)NCc2ccc(OC(=O)Nc3ccc(SC#N)cc3)cc2)c1 2329378818 URLATBHOAHOMAP-UHFFFAOYSA-N 487.581 5.987 50 10 JKGE CC(C)CN1C(=O)c2ccc(C(O)=C(C#N)c3nc(-c4ccc(Cl)c(Cl)c4)cs3)cc2C1=O 2331311478 LZLQGAADGVWIGJ-UHFFFAOYSA-N 498.391 6.319 50 10 JKGE CCCCC1CCC(C(O)=C(C#N)c2nc(-c3cc(Cl)c(OC)c(Cl)c3)cs2)CC1 2331397485 HTTIWLIJACICET-UHFFFAOYSA-N 465.446 7.915 50 10 JKGE COc1cc(Br)cc(C=C(C#N)c2nc(-c3ccc4ccccc4c3)cs2)c1O 2331416510 GCVICQWXYDZNAO-UHFFFAOYSA-N 463.356 6.504 50 10 JKGE COc1cc(OC)c(OC)cc1C=C(C#N)c1nc(-c2cccc(Br)c2)cs1 2331432558 HQAZTJVMOVOHPD-UHFFFAOYSA-N 457.349 5.663 50 10 JKGE N#CC(=Cc1ccc(OCc2ccccc2Cl)cc1)c1nc(-c2ccc([N+](=O)[O-])cc2)cs1 2331434439 ZFOXYIBAIBRIAN-UHFFFAOYSA-N 473.941 7.015 50 10 JKGE CC(C=O)=CCC[C@H](C)[C@@H]1CC[C@]2(C)[C@@H]3CC[C@H]([C@](C)(O)CO)[C@]4(CCC(=O)O)C[C@]34CC[C@]12C 2333304004 XDQDTZXKPKVGKT-RDNWLQFHSA-N 488.709 5.775 50 10 JKGE Cc1cc(Br)c(C)c([C@@H](Br)[C@H]2C[C@@H]3CC[C@H]2C3)c1Br 2334322004 OGHBHWDDLUOYRG-YRORDHRNSA-N 451.040 6.701 50 10 JKGE FC(F)(F)c1cscc1[C@H](Cl)c1cc(Br)ccc1OCc1ccccc1 2336052906 FEYPHSUPDGRXSD-GOSISDBHSA-N 461.730 7.437 50 10 JKGE Cn1nc(Br)c(Br)c1[C@H](Br)Cc1cccc(Cl)c1F 2338691668 VESKSXKZZWRABU-SSDOTTSWSA-N 475.381 5.416 50 10 JKGE C[C@@H]1[C@H](Cl)C[C@H]2CC[C@H]1N2Cc1ccc(I)c(Br)c1 2349825367 CTEARMACMPRCKC-ZTYOMDHBSA-N 454.577 5.034 50 10 JKGE Clc1ccc(I)cc1CO[C@@H]1CCCCCC[C@H]1Br 2352248869 NVEFRLROGCHDDT-UKRRQHHQSA-N 457.577 5.948 50 10 JKGE C[C@@H]1CCCN(Cc2cc(I)ccc2Cl)[C@@H]1CCBr 2352418052 QNPUBIUKVGVBEH-IAQYHMDHSA-N 456.593 5.330 50 10 JKGE Brc1cc(Br)cc(C[C@@H](Br)[C@@H]2C[C@H]2C2CCOCC2)c1 2360163719 MQWIASTXRGQEQD-ARFHVFGLSA-N 467.039 5.580 50 10 JKGE COc1c(F)c(F)cc([C@H](Br)c2cc(Cl)c(Br)s2)c1F 2361160969 PINCLFPAFVNIIT-QMMMGPOBSA-N 450.501 6.074 50 10 JKGE FC(F)(F)c1cccc([C@@H](Cl)c2cc(Br)ccc2OCc2ccccc2)c1 2361178450 OEBFRCJYNSZQLL-HXUWFJFHSA-N 455.701 7.375 50 10 JKGE Cc1cc(Br)c(F)c(Br)c1[C@H](Br)C1(CC(F)F)CCC1 2365189283 SVMPKYMDWGYSBP-ZDUSSCGKSA-N 478.972 6.921 50 10 JKGE Clc1ccc(CN2CCC3(CCC(Br)CC3)C2)c(I)c1 2366680125 PUOMBSLPUPRWJR-UHFFFAOYSA-N 468.604 5.474 50 10 JKGE Fc1c(Br)cc(Cl)c([C@H](Br)C[C@H]2CC[C@@H]2C2CC2)c1Br 2367954290 YSMNONHUOLCLCJ-OPRDCNLKSA-N 489.448 7.266 50 10 JKGE CC(C)C[C@H](CBr)COc1c(Br)cc([N+](=O)[O-])cc1Br 2382204357 MUUBIAHEKYQXMX-SECBINFHSA-N 473.987 5.556 50 10 JKGE Cc1ccc(-c2nn(-c3ccccc3)cc2/C=C(\C#N)C(=O)Nc2ccc(SC(F)F)cc2)o1 3186352 JQCBHMSPOIMMOF-GHRIWEEISA-N 476.508 6.301 50 10 JKGE CC(C)(C)c1ccc(OCC(=O)NNC(=O)COc2cccc3ccccc23)c(C(C)(C)C)c1 14661731 PXOOYHIITPPPNW-UHFFFAOYSA-N 462.590 5.040 50 10 JKGE CC[C@H](Oc1ccc(-c2ccccc2)cc1)C(=O)NNC(=O)COc1cc(C)ccc1C(C)C 14768759 QOYHCKIRLAHCBZ-VWLOTQADSA-N 460.574 5.169 50 10 JKGE CCOc1cc(C=NNC(=O)c2ccc(Cl)cc2Cl)ccc1OC(=O)c1ccc(Cl)cc1 15222324 QWUXYKBQVCJRJG-UHFFFAOYSA-N 491.758 6.029 50 10 JKGE CCOC(=O)c1c(NC(=O)/C(C#N)=C\c2ccc(OC(=O)c3ccccc3)cc2)sc(C)c1C 33283792 YMBYDHQMXBEZHO-ZHZULCJRSA-N 474.538 5.307 50 10 JKGE COc1ccc(Cl)cc1-n1c(C)cc(/C=C(/C#N)C(=O)Nc2cc(Cl)ccc2C)c1C 33337468 JHVHTQVANWMRAQ-ZDLGFXPLSA-N 454.357 6.264 50 10 JKGE N#C/C(=C\c1ccc(-c2cc(C(F)(F)F)ccc2Cl)o1)c1nn(-c2ccccc2)c(N)c1C#N 33567845 FQFJDIMYKCLAMH-GXDHUFHOSA-N 479.849 6.323 50 10 JKGE N#C/C(=C/c1ccc(-c2ccc([N+](=O)[O-])cc2)o1)c1nc(-c2cc3ccccc3oc2=O)cs1 34736330 FPTUKTHPJXXTGJ-BOPFTXTBSA-N 467.462 6.149 50 10 JKGE CCOc1cc(/C=C(/C#N)C(=O)Nc2ccccc2C)ccc1OC(=O)c1ccc(OC)cc1 34782098 IKBWNYHNPAQIIS-QNGOZBTKSA-N 456.498 5.167 50 10 JKGE CCCCN1C(=O)C(C#N)=C(C)/C(=C\c2ccc(OCc3ccccc3Cl)c(OC)c2)C1=O 38603738 NOAFDOWLEUKMSZ-DEDYPNTBSA-N 464.949 5.320 50 10 JKGE Cc1ccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)COc4cc(C)c(Cl)c(C)c4)ccc32)cc1 38649250 VDBPXFJTKHCIGK-RUZDIDTESA-N 474.944 5.468 50 10 JKGE CCCCOc1ccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)Cc4ccccc4)ccc32)cc1 38650884 RRUXHYSDPYIVBV-MHZLTWQESA-N 454.526 5.232 50 10 JKGE CCCCOc1ccccc1[C@H]1C(C#N)=C(N)Oc2cc(OC(=O)c3ccc(F)cc3)ccc21 38682704 OTXDBWFPAZNTLB-RUZDIDTESA-N 458.489 5.442 50 10 JKGE Cc1ccccc1OCC(=O)Oc1ccc2c(c1)OC(N)=C(C#N)[C@@H]2c1cccc(OCCC(C)C)c1 38684641 GZRFTKDTZLMKLF-GDLZYMKVSA-N 498.579 5.623 50 10 JKGE COC(=O)/C(C#N)=C/c1ccc(OC(=O)COc2ccc(C(C)(C)c3ccccc3)cc2)c(OC)c1 40858980 XRHWWAHNRCDIHZ-LTGZKZEYSA-N 485.536 5.085 50 10 JKGE COc1cc(/C=N\NC(=O)CC[C@H](O)c2ccccc2)cc(Cl)c1OCc1cccc(C)c1 58889871 LFYIPIRXANEYAE-PVEGLGLCSA-N 466.965 5.200 50 10 JKGE C=CCc1cc(/C=N\NC(=O)CC[C@@H](O)c2ccccc2)ccc1OCc1ccc2ccccc2c1 58891861 NNOHQGHMCMJEEV-XKLDMDDMSA-N 478.592 6.111 50 10 JKGE COc1cc(/C=C(\C#N)C(=O)Nc2cc(C)ccc2C)ccc1OCc1ccc(Br)cc1 59432952 VUCCISGYVXJDGE-FYJGNVAPSA-N 491.385 6.199 50 10 JKGE O=C(N/N=C\c1ccc(Oc2ccc(C(F)(F)F)cc2[N+](=O)[O-])cc1)c1ccc([N+](=O)[O-])cc1 59462929 PACCSNPLVQJLHA-ROTLSHHCSA-N 474.351 5.078 50 10 JKGE C=CCNC(=O)/C(C#N)=C1\S[C@@H](Cc2cc(Cl)cc(Cl)c2)C(=O)N1c1ccc(CC)cc1 101241493 OMVRHORDYUGFDU-YWDBVWQESA-N 486.424 5.284 50 10 JKGE N#C/C(=C/Nc1ccc2c(C(F)(F)F)cc(=O)oc2c1)c1nc(-c2cccc([N+](=O)[O-])c2)cs1 102420993 VCJAQHAWVJPJRW-RAXLEYEMSA-N 484.415 5.820 50 10 JKGE CCCCCCCOc1ccc(/C=C(/C#N)C(=O)Nc2ncc(Cc3ccc(C)cc3)s2)cc1 102974022 KNKVXHCMLJYKCY-ULJHMMPZSA-N 473.642 6.937 50 10 JKGE CCCCCCCCCCOc1ccc(C(=O)N/N=C/c2ccc(N3CCCC3)cc2C)cc1 103732324 LYEMRDOQTOHKCM-JJKYIXSRSA-N 463.666 6.879 50 10 JKGE Cc1ccccc1-n1c([C@H](C)N(CCC(C)C)C(=O)C(Cl)Cl)nc2ccccc2c1=O 107584568 SIHFHMXXQMFWDZ-KRWDZBQOSA-N 460.405 5.434 50 10 JKGE CCOc1ccc(Br)cc1[C@H](Cl)c1ccc(I)cc1 109826816 XEMSGESGOLLLEY-OAHLLOKOSA-N 451.529 5.781 50 10 JKGE CCCOc1ccccc1[C@H]1C(C#N)=C(N)Oc2cc(OC(=O)/C=C\c3ccc(OC)cc3)ccc21 205654668 WYKRRWPWPJLQFG-XCSIDFAFSA-N 482.536 5.321 50 10 JKGE COc1ccccc1NC(=O)/C(C#N)=C\c1c(C)nn(Cc2c(Cl)cccc2Cl)c1Cl 205774652 SFKUPYYQVFMOFJ-UVTDQMKNSA-N 475.763 5.754 50 10 JKGE N#C/C(=C\c1cn(Cc2ccc(Cl)cc2Cl)c2ccccc12)C(=O)NCc1ccccc1 208368620 FZIOMYJJWRFCSE-UDWIEESQSA-N 460.364 6.220 50 10 JKGE C[C@@]12CC3CC([C@@H](Cl)c4cc(Br)c(Br)s4)(C1)C[C@@](C)(C3)C2 226732632 NUZMLQQZRFFLHM-UNQNOCORSA-N 452.683 7.550 50 10 JKGE Cc1cc([C@@H](Br)c2ccc(F)cc2I)c(C)cc1Cl 235866219 FOIBOWQBGULTAU-HNNXBMFYSA-N 453.520 6.185 50 10 JKGE Cc1ccn2c(C(=O)NN=Cc3nn(-c4ccccc4)cc3-c3ccc(Cl)cc3)c(C)nc2c1 252623213 OMMKQSWDOOSHMY-UHFFFAOYSA-N 468.948 5.221 50 10 JKGE COc1cc(C=NNC(=O)CSc2nc3ccccc3s2)ccc1OCc1ccccc1C 254308208 QWPVLMSUJRBIPT-UHFFFAOYSA-N 477.611 5.435 50 10 JKGE CSc1ccc(C=NNC(=O)CSc2nnc(-c3ccc(C)cc3)n2C2CCCCC2)cc1 254381064 HHIWYUNUTKECII-UHFFFAOYSA-N 479.675 5.723 50 10 JKGE CCN(CC)c1ccc(C=NNC(=O)c2cc(-c3ccccc3OCc3ccccc3)n[nH]2)cc1 254450029 BTEBQRPYPIPBCL-UHFFFAOYSA-N 467.573 5.266 50 10 JKGE CS(=O)(=O)N(Cc1ccccc1)c1ccc(C(=O)NN=Cc2cccc(Oc3ccccc3)c2)cc1 254612776 XJLQAAVWVKANFR-UHFFFAOYSA-N 499.592 5.209 50 10 JKGE CC(C)C[C@@H](C)CC(CBr)(CBr)c1ccccc1Br 302447351 XBDDPYGOJSXXDT-CYBMUJFWSA-N 455.072 6.549 50 10 JKGE C[C@H]1C[C@@H](O[C@]2(CI)CCCN(C(=O)OC(C)(C)C)C2)CC[C@H]1C 303741229 KEBQBOYKKWWQDE-DRMAHVMPSA-N 451.389 5.032 50 10 JKGE BrCc1cc2c(I)csc2cc1I 306645317 NYRUHHMDMRXDAO-UHFFFAOYSA-N 478.918 5.005 50 10 JKGE Fc1ccc(Cl)cc1[C@@H](Br)c1cc(I)cc2c1OCC2 383243612 CHKOJIDEPPSJMT-CQSZACIVSA-N 467.503 5.503 50 10 JKGE BrCc1ccc(Br)cc1OCc1ccc(I)cc1 691422154 MGCZSKBZBIBQTR-UHFFFAOYSA-N 481.953 5.528 50 10 JKGE Brc1csc([C@@H](Br)c2ccc3c(c2)CCCC3)c1Br 705469565 WNFLOVCNOWNMNU-ZDUSSCGKSA-N 465.048 6.636 50 10 JKGE BrCc1ccc(N2C[C@H]3CC[C@H]2[C@@H]2CN(Cc4ccccc4)C[C@@H]32)c(Br)c1 705886844 SVTIJROZRLQGKH-DYQZNNLLSA-N 490.283 5.691 50 10 JKGE COc1cc(C=NNC(=O)[C@H](C)c2ccc(CC(C)C)cc2)ccc1OCc1ccc(C(=O)O)cc1 1083900076 SPIILWKYFOQCCT-HXUWFJFHSA-N 488.584 5.425 50 10 JKGE C=CCc1cc(C=NNC(=O)Nc2ccc(C34CC5CC(CC(C5)C3)C4)cc2)cc(OCC)c1O 1084175884 UDCQRNLRFDFJKJ-UHFFFAOYSA-N 473.617 6.143 50 10 JKGE CCOc1cc(/C=C(\C#N)C(=O)Nc2cccc(Cl)c2Cl)c(Br)cc1O 1084175932 QJKJWBDSGYSOCJ-IZZDOVSWSA-N 456.123 5.406 50 10 JKGE Cn1c(SCC(=O)NN=C(Cc2ccccc2)c2ccc(-c3ccccc3)cc2)nc2ccccc21 1084554632 HKYIEURWVVAVDF-UHFFFAOYSA-N 490.632 6.096 50 10 JKGE O=C(CCCNc1ccc(Cl)cc1)NN=C(Cc1ccccc1)c1ccc(-c2ccccc2)cc1 1084601354 WPQJZWGMDINBSL-UHFFFAOYSA-N 482.027 6.962 50 10 JKGE CCOc1ccc(C(=O)NN=Cc2ccc(OCc3ccccc3C#N)c(Br)c2)cc1 1084655553 OIRVISALRUGEAP-UHFFFAOYSA-N 478.346 5.062 50 10 JKGE FC(F)(F)c1cc(-c2cc(CCl)n(-c3cc(Cl)ccc3Cl)n2)cc(C(F)(F)F)c1 1614818809 QNDAVQPYESSYEX-UHFFFAOYSA-N 473.631 7.623 50 10 JKGE COc1cc(C=NNC(=O)COc2c(C)cccc2C)cc(Br)c1OCc1ccccc1 1772753898 DUGDCZQGPSMXQB-UHFFFAOYSA-N 497.389 5.183 50 10 JKGE Cc1cccc(COc2ccc3ccccc3c2C=NNC(=O)CSc2nc3ccccc3[nH]2)c1 1772760482 QTZMMOZYXRGDKI-UHFFFAOYSA-N 480.593 5.846 50 10 JKGE N#CSc1ccc(NC(=O)Nc2ncccc2OCC(=O)c2ccc(Br)cc2)cc1 1858861570 LADCAWQOHZKTAO-UHFFFAOYSA-N 483.347 5.323 50 10 JKGE CC(C)c1ccc([C@H]2C(C#N)=C(N)Oc3c2c(-c2ccccc2)nn3-c2ccccc2Cl)cc1 1865685700 LSFGYZLZQPFINI-DEOSSOPVSA-N 466.972 6.534 50 10 JKGE CCCc1nn(-c2cccc3ccccc23)c2c1[C@@H](c1cccc(OC)c1OCC)C(C#N)=C(N)O2 1865694529 YTZAYUAVHKJTKN-VWLOTQADSA-N 480.568 5.603 50 10 JKGE CCCCOc1ccc(/C(O)=C(\C#N)c2nc(-c3ccc(CCCC)cc3)cs2)cc1OCC 1872744628 ANXMBHFGEXCGSQ-VYIQYICTSA-N 476.642 7.680 50 10 JKGE COc1ccc(Cl)cc1N1C[C@H](/C(O)=C(\C#N)c2nc(-c3ccccc3Cl)cs2)CC1=O 1872746680 SMAMIYLSAIITMY-GTMGWDBPSA-N 486.380 5.971 50 10 JKGE CCc1cccc(C)c1N1C[C@H](/C(O)=C(\C#N)c2nc(-c3cc(C)ccc3C)cs2)CC1=O 1872750073 VMEFOJRLRYYAQW-NTKFOSSBSA-N 457.599 6.144 50 10 JKGE COc1ccc(/C=C(C(/O)=C(\C#N)c2nc(-c3ccc4c(c3)OCCO4)cs2)\c2ccccc2)cc1 1872751023 QFZOQWHNEPBSEQ-KOGQMRHXSA-N 494.572 6.623 50 10 JKGE CCCCCCCOc1ccc(-c2csc(/C(C#N)=C(\O)c3ccc(OCC)cc3)n2)cc1 1872752986 CEHRBXYIRUXOPF-LCUIJRPUSA-N 462.615 7.508 50 10 JKGE COc1c(Cl)cc(Cl)cc1-c1csc(/C(C#N)=C(\O)COc2ccc(Cl)c(C)c2)n1 1872754101 CBJVNIPIGXIHTB-CYVLTUHYSA-N 481.788 6.959 50 10 JKGE COc1cc(-c2csc(/C(C#N)=C(\O)COc3ccc(C)cc3C(C)(C)C)n2)c(OC)cc1Cl 1872754915 PJDVGULFPQSCLF-FXBPSFAMSA-N 499.032 6.958 50 10 JKGE COc1ccc(/C=C(C(/O)=C(\C#N)c2nc(-c3cc(C)c(OC)cc3C)cs2)\c2ccccc2)cc1 1872758432 ZSJLMTDAFVDQOX-BLOQDEJMSA-N 494.616 7.478 50 10 JKGE CCOc1ccc(/C=C/C(O)=C(\C#N)c2nc(-c3cc(Cl)ccc3OC)cs2)cc1OC 1872758503 DAWBGZNHHZTXFF-MBHKSPPESA-N 468.962 6.385 50 10 JKGE CCc1ccc(-c2csc(/C(C#N)=C/c3ccc(OCCCc4ccccc4)c(OC)c3)n2)cc1 1872781591 LCRUCVPIPJHWRZ-NLRVBDNBSA-N 480.633 7.457 50 10 JKGE CCOc1cc(/C=C(\C#N)c2nc(-c3cccc(Cl)c3)cs2)ccc1OCc1ccccc1C 1872790002 DVOPTXHGYFOHRF-YDZHTSKRSA-N 487.024 7.814 50 10 JKGE CC(C)[C@H](NC(=O)OC(C)(C)C)C(=O)N/N=C/c1ccc(OCc2c(F)cccc2Cl)cc1 1873795263 DYBXDUIUYQVICU-HFLRGAGPSA-N 477.964 5.058 50 10 JKGE CC(C)(C)OC(=O)N[C@H](CBr)[C@@H]1CN(C(=O)OC(C)(C)C)C2(CCCCC2)C1 1885097608 SFFMMWMTLOSHBJ-JKSUJKDBSA-N 461.441 5.235 50 10 JKGE ClCC[C@H](COCc1ccccc1)NCc1ccc(Br)cc1Br 1902891874 KZQLJEWTFVDIET-QGZVFWFLSA-N 461.625 5.516 50 10 JKGE COc1ccc(Br)c(C(=O)N(Cc2ccccc2)[C@H](C)CCBr)c1 1915079409 BILJBJLTSRDOTJ-CQSZACIVSA-N 455.190 5.274 50 10 JKGE CC[C@@H](Cl)CN(Cc1ccccc1)S(=O)(=O)c1c(Cl)cccc1Br 1915107100 VJRONPCPUOCXAL-CQSZACIVSA-N 451.213 5.311 50 10 JKGE Cc1cc(Cl)cc([C@@H](Br)c2sc(Br)c(C)c2Br)c1 1922953531 DXHMBZIBSCEELQ-LLVKDONJSA-N 473.455 7.028 50 10 JKGE CCC(F)(F)C(C)(C)[C@H](Br)c1c(Br)sc(Br)c1Cl 1923037083 BDTRCGWLDRYKKN-SSDOTTSWSA-N 489.445 7.434 50 10 JKGE FC1(F)[C@H]([C@H](Cl)c2c(Br)sc(Br)c2Cl)C12CCCC2 1923054291 CVDNJGSGYYECED-HTRCEHHLSA-N 454.989 7.032 50 10 JKGE Clc1cccc(C[C@@H](Br)c2c(Br)sc(Br)c2Cl)c1 1923055785 YULWTVKBEZTQFY-MRVPVSSYSA-N 493.873 7.259 50 10 JKGE Fc1ccc(C[C@H](Cl)c2c(Br)sc(Br)c2Cl)cc1F 1923066601 ROZRVQXONMYHCM-LURJTMIESA-N 450.957 6.727 50 10 JKGE Clc1c(Br)sc(Br)c1[C@@H](Br)[C@H]1CC[C@@H]2C[C@@H]2C1 1923066847 VXZASGJAMYQGFX-AYHNYZOXSA-N 463.460 6.799 50 10 JKGE Fc1cc([C@H](Br)c2c(Br)sc(Br)c2Cl)cc(F)c1F 1923068418 RFQXRNFQUBWZRF-ZETCQYMHSA-N 499.371 6.828 50 10 JKGE Clc1c(Br)sc(Br)c1[C@@H](Br)c1ccc(C2CC2)cc1 1923075188 YBKZFIMLABUFBA-NSHDSACASA-N 485.466 7.288 50 10 JKGE Fc1ccc([C@H](Br)c2c(Cl)sc(Br)c2Cl)cc1Br 1925584705 KSOUAZLLVCMUOR-QMMMGPOBSA-N 497.836 7.203 50 10 JKGE Cc1cc(Br)sc1[C@@H](Br)c1csc(I)c1 1934770949 HZSBAJWALXOPJN-VIFPVBQESA-N 478.012 5.969 50 10 JKGE CC(C)(C[C@H](Br)c1cc(Br)c(Br)s1)C(F)(F)F 1945245551 YRKCFEOEYKVPCG-LURJTMIESA-N 458.963 6.688 50 10 JKGE Cc1cc(Br)c([C@H](Br)C2(Br)CC2)cc1Br 1960901305 XDCUPABKOLWOAK-JTQLQIEISA-N 461.817 5.884 50 10 JKGE FCC1([C@@H](Br)c2c(Br)sc(Br)c2Cl)CCC1 1979397084 QNWLNTHPJBYTRL-ZETCQYMHSA-N 455.412 6.502 50 10 JKGE Cc1cc(Br)c(C)c([C@@H](Br)C2(Br)CC2)c1Br 1993348158 SAWSNFYJNJCQGQ-LLVKDONJSA-N 475.844 6.192 50 10 JKGE Cc1nn(C)c([C@@H](Br)c2cc(Br)c(Cl)s2)c1Br 2017391789 YNFDXGNURVUZDN-QMMMGPOBSA-N 463.420 5.453 50 10 JKGE Cc1cc([C@H](Cl)c2ccc(Br)cc2I)sc1Cl 2026222237 WCVPPZYGMGVYKU-LLVKDONJSA-N 461.977 6.405 50 10 JKGE COCc1cc(Br)c([C@H](Br)c2cc(Br)sc2C)s1 2034554968 HCZBIUURVCKGOW-LLVKDONJSA-N 475.065 6.274 50 10 JKGE Cc1cc([C@@H](Br)c2ccc(C)c(Br)c2C)c(Br)s1 2039500779 NLIWWIXFWXRXLN-ZDUSSCGKSA-N 453.037 6.683 50 10 JKGE CCc1sc(Br)cc1[C@@H](Br)c1ccc(OC)c(Br)c1 2090680609 HOMMFQKMSBJJQQ-AWEZNQCLSA-N 469.036 6.328 50 10 JKGE COc1ccc([C@H](Br)c2c(Br)cccc2Br)c(Cl)c1 2094089962 BRXHOSHCSPIWJK-AWEZNQCLSA-N 469.398 6.358 50 10 JKGE Fc1cccc(C[C@H](Br)c2c(Br)cccc2Br)c1F 2094100862 WTVCYAKBMPCZDO-NSHDSACASA-N 454.934 6.169 50 10 JKGE CC(C)[C@H]1CN(c2c(CCl)ccc(Br)c2Cl)CCN1Cc1ccccc1 2098112249 ZWQUMFXERACBKD-LJQANCHMSA-N 456.255 6.188 50 10 JKGE FC1(F)C[C@]12CCC[C@H]([C@H](Br)c1cc(Br)c(Br)s1)C2 2099910383 DIZARQLPHWCGCF-VIRWGQHYSA-N 479.022 6.925 50 10 JKGE CCOc1ccc([C@H](Br)c2scc(C)c2Br)c(Br)c1 2100814384 HXRUPOTURINZLJ-ZDUSSCGKSA-N 469.036 6.465 50 10 JKGE F[C@@H]1[C@H](Br)C[C@H]2CC[C@H]1N2Cc1cc(Br)ccc1Br 2134129943 OJIPDPBOVQBRAV-FMKGYKFTSA-N 455.991 5.050 50 10 JKGE Cc1cc(Br)c(C)c([C@H](Br)C[C@H]2CO[C@H](C)C2)c1Br 2136369209 BZEQAJNGYVPVEX-SUZMYJTESA-N 455.028 6.080 50 10 JKGE Cc1c(Br)ccc([C@H](Br)CC2CC(C(F)F)C2)c1Br 2138874100 STCRCSSGWUXMKU-SHVIVCPWSA-N 460.982 6.637 50 10 JKGE CC[C@]12CO[C@]([C@@H](Br)c3cc(Br)c(C)cc3Br)(C1)C2 2140286269 WVOICJBXQNCMIP-SOUVJXGZSA-N 453.012 5.915 50 10 JKGE Brc1ccc(C[C@H]2CCc3ccccc3[C@@H]2Br)c(Br)c1 2148684770 ICJUJIPXLASCOX-CXAGYDPISA-N 459.019 6.453 50 10 JKGE ClC[C@@H](Cc1cccc(Br)c1)Cc1cccc(Br)c1Br 2148749868 DZLKDFFPFPSNDC-LBPRGKRZSA-N 481.453 6.614 50 10 JKGE C[C@H]1C[C@@H](C)C[C@H](COc2c(Br)cc(Br)cc2CBr)C1 2149163185 QRQFFKMNXIAEHF-GDNZZTSVSA-N 469.055 6.558 50 10 JKGE BrCc1cc(Br)cc(Br)c1OC[C@@]12CCC[C@@H]1CCO2 2152940794 DWEYCEVMOVMKFW-ABAIWWIYSA-N 469.011 5.445 50 10 JKGE CC(C)(C)OC(=O)NC[C@@H]1CN(C[C@@H](CBr)C(C)(C)C)CC[C@@H]1C(F)(F)F 2163059553 UNNKDGWPAAYAND-KFWWJZLASA-N 459.391 5.069 50 10 JKGE Cc1c(Cl)cc([C@@H](Br)Cc2ccc(Cl)c(Cl)c2)cc1Br 2167380559 GKVCRNXSBCTFKN-LBPRGKRZSA-N 457.420 7.396 50 10 JKGE Fc1cc(Br)cc(N2CCC3(CCN(Cc4ccccc4)C3)CC2)c1CBr 2170692205 PPBALBQHZZMSIN-UHFFFAOYSA-N 496.262 5.976 50 10 JKGE Brc1ccc(Br)c(CN2C[C@@H](Br)C3(CCCCC3)C2)c1 2175142162 NNPFQIVKJNJWPB-OAHLLOKOSA-N 466.055 5.741 50 10 JKGE CO[C@]1(C(F)(F)F)C[C@H]([C@H](Cl)c2sc(Br)c(C)c2Br)C1 2182021428 IDCNSKCYCKPSSB-GEOGLEFRSA-N 456.549 6.219 50 10 JKGE Cc1cc(Br)c(C)c([C@H](Br)[C@@H]2CCC[C@H](C)CC2)c1Br 2201076480 YKTKYIBSAMJPGH-MNRXQERYSA-N 467.083 7.481 50 10 JKGE C[C@]1(C(F)F)C[C@H]1[C@H](Br)c1cc(Br)c(Br)cc1F 2218602187 DCMYWTVJWCZVJP-QDWQASTRSA-N 450.918 6.078 50 10 JKGE Cc1cc(C(=O)N(Cc2ccccc2)[C@@H](CBr)C(C)C)cc(C)c1Br 2220196176 ZAWKXXGTHBCVAZ-IBGZPJMESA-N 467.245 6.128 50 10 JKGE COc1ccc([C@H](Br)c2ccc(C)c(I)c2)c(Cl)c1 2224621363 BTVLAMQELMIRDD-OAHLLOKOSA-N 451.529 5.746 50 10 JKGE Cc1cc([C@@H](Cl)c2cc(Br)c(Br)cc2F)ccc1Br 2225634973 SASIIBDYWYQIAH-CQSZACIVSA-N 471.389 6.750 50 10 JKGE COc1cc(Br)c([C@@H](Br)c2cc(C)sc2Br)cc1C 2227734943 PKNQQUDBXSUEMY-CYBMUJFWSA-N 469.036 6.383 50 10 JKGE CC1(C)CN(Cc2cc(Br)ccc2Br)C[C@@H]1CCBr 2230156047 TWAKCTAPWTUMMJ-LBPRGKRZSA-N 454.044 5.455 50 10 JKGE FC1(F)CCCC[C@H]1[C@@H](Br)c1c(Br)cc(Cl)c(Cl)c1Cl 2232510551 HRLXLVYAHUONHV-QUBYGPBYSA-N 471.394 7.671 50 10 JKGE Cc1cc(Br)c([C@H](Br)c2cccc(Br)c2C)c(C)c1Cl 2232526864 AKGDYAIGADKVBG-OAHLLOKOSA-N 481.453 7.275 50 10 JKGE FC1(F)CC12CC([C@@H](Br)c1c(Br)cc(Cl)c(Cl)c1Cl)C2 2232528800 JNCRBAZULVRQSX-UNXPPYCYSA-N 469.378 7.281 50 10 JKGE Cc1cc(Br)c([C@H](Cl)c2cc(I)ccc2F)c(C)c1Cl 2232531066 XRNWJEZEYQCXBM-OAHLLOKOSA-N 487.965 6.791 50 10 JKGE COc1ccc([C@@H](Cl)c2cc(Br)c(Br)cc2F)c(Br)c1 2240816845 GNTWLLZXJQLKRJ-CQSZACIVSA-N 487.388 6.450 50 10 JKGE Fc1cc(Br)c(F)c(Br)c1[C@@H](Br)C(F)(F)C1CC1 2260065834 PGBCPSQOJBQPHA-SNVBAGLBSA-N 454.881 5.971 50 10 JKGE COCC1([C@@H](Br)c2cc(Br)c(Br)s2)CC(F)(F)C1 2263686975 PCLQUXNNPKEZOT-QMMMGPOBSA-N 468.983 5.771 50 10 JKGE C=CC[C@@]1(CBr)CCCN(c2ncc(Br)cc2Br)C1 2272107558 DLCKLPJDTFLLNZ-AWEZNQCLSA-N 453.016 5.164 50 10 JKGE Fc1cc(Br)c(F)c(Br)c1[C@H](Br)[C@@H]1CC[C@H]2C[C@H]2C1 2272735821 WAZQGPMUIFLTQP-FLNNQWSLSA-N 458.966 6.362 50 10 JKGE Cc1cc(Br)c(C)c([C@H](Br)[C@]23COC[C@H](C2)C3)c1Br 2273073163 FJZOZHDMGATANZ-LKTVYLICSA-N 453.012 5.691 50 10 JKGE Clc1ccc([C@H](Br)c2ccc3c(c2)CCCC3)cc1I 2283586202 HLFYKJYEJUDQIE-QGZVFWFLSA-N 461.568 6.308 50 10 JKGE C[C@H](c1ccccc1)[C@@H](Br)c1c(F)cc(Br)c(F)c1Br 2288356214 RKCBLPHTFLMWQO-AMIZOPFISA-N 468.961 6.730 50 10 JKGE COc1cc(C=CC(=O)Cl)cc(Br)c1OCc1cccc(Br)c1 2293940827 HHZFNXGSVFVENC-UHFFFAOYSA-N 460.549 5.578 50 10 JKGE COc1c(Br)cc(Cl)c(C)c1[C@@H](Cl)c1scc(C)c1Br 2295266943 GSHAJMAMYXARRP-GFCCVEGCSA-N 459.030 6.880 50 10 JKGE CC(C)(C)c1nc([C@H](Br)Cc2cc(Br)cc(Br)c2)cs1 2295329360 HMFVZRYDFSHQQK-GFCCVEGCSA-N 482.079 6.644 50 10 JKGE Brc1cc(Br)cc(C[C@@H](Br)CCCc2ccccc2)c1 2295338664 ZTLMTXLNGWCDEG-HNNXBMFYSA-N 461.035 6.541 50 10 JKGE Cc1ccc(CNC(=O)C(C#N)=Cc2ccccc2OCc2cccc(C(F)(F)F)c2)cc1 2295672239 FLWYZRVASNCHCL-UHFFFAOYSA-N 450.460 5.816 50 10 JKGE CCCCc1ccc(NC(=O)C(C#N)=C2S[C@H](Cc3ccccc3)C(=O)N2c2ccccc2)cc1 2296507035 PZVDMOVVQFBYFB-AREMUKBSSA-N 481.621 6.094 50 10 JKGE CCOc1cc(C=C(C#N)C(=O)Nc2ccc(Cl)cc2C)ccc1OCC(=O)Nc1ccccc1 2297334413 CFISCYIDVAWMBI-UHFFFAOYSA-N 489.959 5.610 50 10 JKGE CN(C)C=C(N(C)C(=O)c1ccccc1)[P+](c1ccccc1)(c1ccccc1)c1ccccc1 2297497995 WLQMKMSUBSXKIQ-UHFFFAOYSA-N 465.557 5.113 50 10 JKGE CCOc1cc(C=C(C#N)C(=O)Nc2nc3ccccc3s2)ccc1OCc1ccccc1F 2297500420 YNDPFAZTVMBJML-UHFFFAOYSA-N 473.529 5.959 50 10 JKGE Brc1ccc(OCc2ccccc2)c([C@H](Br)[C@H]2CCC3(CC3)C2)c1 2299529356 AXNGKVXMVVXKGA-OXJNMPFZSA-N 450.214 7.044 50 10 JKGE Cc1sc(C(=O)N[C@@H](CCBr)COCc2ccccc2)c(C)c1Br 2303547763 ZRHZMGSTYBKFIG-HNNXBMFYSA-N 475.246 5.228 50 10 JKGE C=CCOc1c(Br)cc(C=C(C#N)C(=O)Nc2cccc(C)c2)cc1Br 2313511250 WCRDZWCZUDNLCH-UHFFFAOYSA-N 476.168 5.631 50 10 JKGE N#CC(=Cc1ccc(-c2ccc(C34CC5CC(CC(C5)C3)C4)cc2[N+](=O)[O-])o1)c1ccc([N+](=O)[O-])cc1 2313548788 FVPKOPZCVVBCIG-UHFFFAOYSA-N 495.535 7.295 50 10 JKGE N#CC(=Cc1ccc(-c2cc([N+](=O)[O-])c(Cl)cc2Cl)o1)C(=O)Nc1cccc(Cl)c1Cl 2313571448 WQQDFUQQVFMQOX-UHFFFAOYSA-N 497.121 7.014 50 10 JKGE CCOc1cc(C=C(C#N)C(=O)Nc2sc3c(c2C#N)CCCC3)ccc1OCc1ccc(C)cc1 2313630510 MRHKRBALQCEIDX-UHFFFAOYSA-N 497.620 6.330 50 10 JKGE COC(=O)c1cccc(Cn2cc(C=C(C#N)C(=O)Nc3cc(Cl)ccc3C)c3ccccc32)c1 2313724703 VAYJOPYGHLIMBR-UHFFFAOYSA-N 483.955 5.984 50 10 JKGE CCOc1ccc(NC(=O)C(C#N)=Cc2cc(Br)c(OCC)c(OCC)c2)cc1 2313738882 WIAVHYSDRWWYHB-UHFFFAOYSA-N 459.340 5.191 50 10 JKGE Fc1ccc([C@@H](Cl)c2cc(Br)ccc2OCc2ccccc2)c(Br)c1 2314447728 BFWGUDAEUHDZRU-HXUWFJFHSA-N 484.590 7.258 50 10 JKGE CCOC1CC(C[C@H](Br)c2cc(Br)ccc2OCc2ccccc2)C1 2314449006 MJWGZVAQFXXMMZ-NLPFYKDJSA-N 468.229 6.669 50 10 JKGE COc1ccc([C@@H](Br)c2ccc(OCc3ccccc3)cc2Br)cc1 2314499643 FINQXWBCKOIPJE-OAQYLSRUSA-N 462.181 6.521 50 10 JKGE Cc1cc(C)cc([C@H](Br)c2ccc(OCc3ccccc3)cc2Br)c1 2314499729 GKKODCCUTYZFJG-QFIPXVFZSA-N 460.209 7.129 50 10 JKGE Cc1cc(Cl)c(Br)cc1[C@H](Br)c1c(Br)ncn1C 2315625712 QNPNJESFOXIKMG-JTQLQIEISA-N 457.391 5.391 50 10 JKGE Brc1cc2c(c([C@@H](Br)c3cnsc3Br)c1)OCC2 2315639514 PRDAKIJTVKUCPI-SNVBAGLBSA-N 453.981 5.087 50 10 JKGE CC(C)(C)OC(=O)N1CCC[C@](CI)(OCCCCCC(F)(F)F)C1 2315804208 RAJMOBDBGARZMO-MRXNPFEDSA-N 479.321 5.330 50 10 JKGE COc1cccc([C@H](Br)c2sc(Cl)cc2I)c1F 2316605054 FGNHNPCBSQAZSY-JTQLQIEISA-N 461.521 5.638 50 10 JKGE Brc1cc([C@H](Br)[C@H]2C[C@H]3CCC[C@H]2CC3)c(Br)s1 2316745029 UJBYCVOIGVHIGT-AVWBDOJWSA-N 457.069 6.926 50 10 JKGE C[C@H]1C[C@H]2C[C@]([C@H](Br)c3c(Br)sc(Br)c3Cl)(C2)O1 2319799792 ZRGCLBSRXZCIOJ-DQUAYNECSA-N 479.459 6.320 50 10 JKGE CC(C)c1ccc(NC(=O)C(C#N)=CN2CCN(C(c3ccccc3)c3ccccc3)CC2)cc1 2324234380 RRTCDMLLLCJWLX-UHFFFAOYSA-N 464.613 5.563 50 10 JKGE COC(=O)c1ccc2c(O)nc(C(C#N)=Cc3ccc(OCc4c(F)cccc4Cl)cc3)nc2c1 2331046339 HCDCNNCBNZGRHP-UHFFFAOYSA-N 489.890 5.558 50 10 JKGE COc1cc(C=C(C#N)c2ncccc2[N+](=O)[O-])cc(Br)c1OCc1ccccc1 2331059542 NYATVDDDEJHDRE-UHFFFAOYSA-N 466.291 5.404 50 10 JKGE C[C@H](Oc1ccc(Cl)cc1)C(O)=C(C#N)c1nc(-c2ccc(Cl)c(Cl)c2)cs1 2331311743 SYBTUNGOXUNGFV-NSHDSACASA-N 451.762 7.030 50 10 JKGE CC[C@H](C)N1C(=O)c2ccc(C(O)=C(C#N)c3nc(-c4ccc(C(C)(C)C)cc4)cs3)cc2C1=O 2331331595 SRUWPYWBPUBAKA-INIZCTEOSA-N 485.609 6.452 50 10 JKGE COc1cc(-c2csc(C(C#N)=C(O)c3cccc(NC(C)=O)c3)n2)c(OC)cc1Cl 2331376894 HFRDITFYFUVRJG-UHFFFAOYSA-N 455.923 5.389 50 10 JKGE COc1ccc(CC(O)=C(C#N)c2nc(-c3cc(Cl)cc(C)c3OC)cs2)c(OC)c1 2331392021 GZHOQSVUUGFHKX-UHFFFAOYSA-N 456.951 5.833 50 10 JKGE C=CCOc1ccccc1OCC(O)=C(C#N)c1nc(-c2cc(Cl)c(OC)c(Cl)c2)cs1 2331397474 HEJCVAZPGVMOOX-UHFFFAOYSA-N 489.380 6.562 50 10 JKGE COc1ccccc1-c1csc(C(C#N)=Cc2c(OCc3ccccc3)ccc3ccccc23)n1 2331436068 IDSGZVOVTFURAT-UHFFFAOYSA-N 474.585 7.615 50 10 JKGE Cn1cc(Cl)c([C@H](Br)c2c(F)cc(Cl)c(Br)c2Cl)n1 2335286633 WAROQKNKIHJVTH-SECBINFHSA-N 451.348 5.766 50 10 JKGE Cn1ncc(Br)c1[C@H](Br)c1c(F)cc(Cl)c(Br)c1Cl 2335302767 SMQGTEBDAVMZQK-SECBINFHSA-N 495.799 5.875 50 10 JKGE Fc1ccc(OCc2cc(Br)cc(Br)c2)c(CBr)c1 2337068531 CEIAPDUDBKAZBR-UHFFFAOYSA-N 452.943 5.825 50 10 JKGE Clc1ccc(CC[C@H](Br)CN2CCCCC2)cc1I 2337217711 AGZDBUOEKXIIJC-ZDUSSCGKSA-N 456.593 5.127 50 10 JKGE COc1ccc(Oc2cc(Br)cc(Br)c2)c(CBr)c1 2338864308 BMTGSCZGNUTTOP-UHFFFAOYSA-N 450.952 5.907 50 10 JKGE COc1c(Br)cc(C)c([C@@H](Br)c2csc(C)c2)c1Br 2339653957 OASSZAOAADYAKG-LBPRGKRZSA-N 469.036 6.383 50 10 JKGE C[C@@H](c1ccncc1F)[C@@H](Br)c1ccc(Cl)cc1I 2344715254 YUTWBILJYZBQRL-RMLUDKJBSA-N 454.508 5.718 50 10 JKGE ClC[C@H](NCc1ccc(I)c(Br)c1)[C@H]1CC=CCC1 2349858980 UFVATZNVXOLURA-WFASDCNBSA-N 454.577 5.107 50 10 JKGE Cc1cc(Br)c([C@H](Br)[C@]23C[C@H](CO2)C3(C)C)c(C)c1Br 2359851264 DKXYSGKSGFBZIV-OOVXXXAESA-N 467.039 6.080 50 10 JKGE Fc1cccc([C@@H](Br)c2c(F)cc(Cl)c(Br)c2Cl)c1Cl 2360427471 VPDUBTFZEYGCOA-SNVBAGLBSA-N 465.346 7.172 50 10 JKGE Fc1ccc2cc([C@H](Cl)c3cc(Br)ccc3OCc3ccccc3)sc2c1 2361208026 PWEHBFAUPJHFBW-JOCHJYFZSA-N 461.783 7.710 50 10 JKGE Fc1c(Br)cc(Cl)c([C@H](Br)[C@@H]2C(F)(F)C23CCC3)c1Br 2362225467 VSUOVMFVLLRIFA-ONGXEEELSA-N 497.374 6.876 50 10 JKGE Fc1c(Br)cc(Cl)c([C@@H](Br)[C@H]2[C@H]3CCCCC[C@H]32)c1Br 2362236634 PUKYZBASKDLLEL-XXEYQXHCSA-N 489.448 7.266 50 10 JKGE CN(Cc1ccc(Cl)c(I)c1)C1(CBr)CC2(CCC2)C1 2362373583 OYBYMHYXZZSKEM-UHFFFAOYSA-N 468.604 5.474 50 10 JKGE CC12CC(C1)[C@H]([C@H](Br)c1c(F)cc(Br)c(F)c1Br)CO2 2362892355 FQHXWZWMGVYKHA-OUVKEWSXSA-N 474.965 5.741 50 10 JKGE Cc1cc(Br)c(F)c(Br)c1[C@H](Br)[C@@]12CCC[C@@H](C1)OC2 2365188032 HEIVUZYMGXEBGD-LNHVQRHZSA-N 471.002 6.054 50 10 JKGE C[C@@H]1CCC[C@@](CBr)(NC(=O)c2ccc(Cl)cc2I)C1 2365588592 LOMPZEFHAWJXNA-MEBBXXQBSA-N 470.576 5.018 50 10 JKGE CC(C)Oc1ccc([C@@H](Br)c2ccc(Cl)cc2I)cc1 2365593102 RYTIBEGMFPEZGD-MRXNPFEDSA-N 465.556 6.216 50 10 JKGE CC(C)(C)C[C@@H](CBr)CNC(=O)c1ccc(Cl)cc1I 2365598788 RWQMJMRODMSJAO-JTQLQIEISA-N 472.592 5.122 50 10 JKGE O=C(Nc1ccc(CBr)c(F)c1)c1ccc(I)c(Cl)c1 2367689005 JRWFIRWGJZZQSE-UHFFFAOYSA-N 468.491 5.231 50 10 JKGE N#C/C(=C/c1cc(Br)ccc1OCc1ccccc1)C(=O)Nc1cc([N+](=O)[O-])ccc1F 867521 UCLUWKBDYFMASR-YVLHZVERSA-N 496.292 5.621 50 10 JKGE N#C/C(=C/c1ccc(OC(=O)/C=C/c2ccc(OCc3ccccc3)cc2)cc1)c1cccc(Cl)c1 31901546 MUTXLJPLSDIUCI-BTNCGWLBSA-N 491.974 7.602 50 10 JKGE COc1ccc(/C(C#N)=C\c2ccc(OC(=O)COc3ccccc3Cl)c(OC)c2)cc1OC 31902082 MPQFTPBCATUKFQ-UNOMPAQXSA-N 479.916 5.414 50 10 JKGE CCOc1ccc(/C=C/C(=O)Oc2cccc(/C=C(/C#N)c3ccccc3OC)c2)cc1OC 31902745 QCPOOJYOYQDNCP-JYBPRETJSA-N 455.510 5.785 50 10 JKGE Cc1ccc(NC(=O)/C(C#N)=C2/S[C@H](Cc3ccccc3Cl)C(=O)N2c2ccc(C)cc2)cc1 33579291 YDOHTUCUIYEGRE-VECHRTTRSA-N 488.012 6.022 50 10 JKGE CC(C)c1ccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)COc4ccccc4Cl)ccc32)cc1 38649501 RQOPVQHIALRRTK-AREMUKBSSA-N 474.944 5.666 50 10 JKGE CCCCOc1ccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4ccc(OC)cc4)ccc32)cc1 38650751 GKZIHVPDAFHACD-AREMUKBSSA-N 470.525 5.311 50 10 JKGE Cc1occc1C(=O)N/N=C1\CCCc2oc(C(=O)N(Cc3ccccc3)Cc3ccccc3)c(C)c21 40823461 HEQQHRAVAKBACS-QCKNELIISA-N 495.579 5.802 50 10 JKGE CC(C)(C)c1ccccc1OCC(=O)N/N=C1\C(=O)N(Cc2ccccc2Cl)c2ccccc21 40846295 SAAVGTLDOYBCHF-JVCXMKTPSA-N 475.976 5.084 50 10 JKGE Cc1ccc(COc2ccc(Br)cc2/C=N\NC(=O)CC[C@@H](O)c2ccccc2)cc1 58892500 XJXQSFOSYUWHHH-MAAPNWIXSA-N 481.390 5.300 50 10 JKGE Cc1ccc(COc2ccc(Br)cc2/C=C(\C#N)C(=O)Nc2ccccc2F)cc1 59117150 UMZHLHKVOLRMFJ-XDHOZWIPSA-N 465.322 6.021 50 10 JKGE Cc1ccc(NC(=O)/C(C#N)=C\c2cc(Cl)c(OCc3ccc(C(=O)O)cc3)c(Cl)c2)cc1 59335277 OBZNOYJFTVEYIW-GRSHGNNSSA-N 481.335 6.125 50 10 JKGE N#C/C(=C(/O)c1ccccc1I)c1nc2cc(C(F)(F)F)ccc2s1 101018188 LSQGTYZNQMUXEF-PTNGSMBKSA-N 472.229 5.870 50 10 JKGE CC[C@@H](C)N1C(=O)C(C#N)=C(C)/C(=C\c2cn(-c3ccccc3)nc2-c2ccc(OC)c(C)c2)C1=O 101334199 VBQMWBDSWBETSA-IERINAHZSA-N 480.568 5.247 50 10 JKGE Fc1cc([C@@H](Br)c2cc(Br)sc2Br)cc(F)c1F 109869825 NLZWNNAPTJNLOJ-SECBINFHSA-N 464.926 6.175 50 10 JKGE CC(C)C1CCC(CI)(OCc2ccc(Br)cc2)CC1 162528545 SXDXFZYGMVDQSH-UHFFFAOYSA-N 451.186 5.986 50 10 JKGE CCOc1cc(Cl)c([C@@H](Br)c2ccc(Br)c(F)c2)cc1Cl 164571043 ZYHQKOGFFSIHQD-HNNXBMFYSA-N 456.964 6.778 50 10 JKGE Clc1cc([C@H](Br)c2cc(Br)c(Cl)s2)ccc1Br 227846138 HBTFFFTVPUNMDS-JTQLQIEISA-N 479.846 7.064 50 10 JKGE Clc1c(Br)cccc1[C@@H](Cl)c1cc(Br)ccc1Br 228450536 AALQZVUQSJLICS-GFCCVEGCSA-N 473.817 6.956 50 10 JKGE Brc1ccc([C@H](Br)c2ccc3c(c2)CCCC3)c(Br)c1 232451581 IKPDKECEAZLVTP-QGZVFWFLSA-N 459.019 6.575 50 10 JKGE CC[C@@H](C)c1ccc([C@@H](Br)c2cc(Br)cc(Br)c2)cc1 233865318 OEUXTHKXVMTQKM-PIGZYNQJSA-N 461.035 7.209 50 10 JKGE CCc1ccc([C@H](Br)c2ccc(Br)cc2Br)cc1CC 234185863 HTLWXJOYBNJAHX-KRWDZBQOSA-N 461.035 6.821 50 10 JKGE Fc1cc([C@H](Br)c2cc(Br)sc2Br)ccc1Cl 236234876 KELGIFYYWLCYLW-JTQLQIEISA-N 463.391 6.550 50 10 JKGE CC(=NNC(=O)COc1cc(C)c(Cl)c(C)c1)c1cccc(NC(=O)c2ccc(C)s2)c1 252595836 CDXZGZCKDTUMFK-UHFFFAOYSA-N 469.994 5.498 50 10 JKGE CC(=NNC(=O)CSc1nnc(-c2ccc(C)cc2)n1-c1ccccc1)c1cccc2ccccc12 254350625 QATJASIZFUYCIS-UHFFFAOYSA-N 491.620 6.028 50 10 JKGE CC(=O)O[C@@H]1CC[C@]2(C)C3=CC(=O)[C@]4(C)[C@H]([C@H](C)CC[C@@H](C)C(C)C)CC[C@H]4[C@@]34CC[C@@]2(C1)OO4 254839224 FNOFNCIBAJVYBM-QZBYRPPUSA-N 486.693 6.592 50 10 JKGE Cc1cc(C)cc(-n2c(C)cc(C=NNC(=O)C(O)(c3ccccc3)c3ccccc3)c2C)c1 254898444 RTYSMDRYWVJSSJ-UHFFFAOYSA-N 451.570 5.097 50 10 JKGE C[C@@H](Cl)c1nc2ccc(Br)cc2n1CCCN(Cc1ccccc1)Cc1ccccc1 390635949 JOAFSVZLISXDHB-HXUWFJFHSA-N 496.880 7.191 50 10 JKGE CC(C)(C)[Si](C)(C)OCCc1ccc([C@@H]2CNCCN2CCO[Si](C)(C)C(C)(C)C)cc1 616635333 DBYDKSZEQIYBQZ-DEOSSOPVSA-N 478.870 6.219 50 10 JKGE Fc1ccc2nc(CCl)n(CC3CCN(Cc4ccccc4)CC3)c2c1Br 689722682 GBKCTTYKPKTGPP-UHFFFAOYSA-N 450.783 5.589 50 10 JKGE CC1(C)C[C@H](NC(=O)c2cc(Br)cc(Br)c2)C[C@H](Br)C1 693900794 ZGWPBPQAWFSWPJ-QWHCGFSZSA-N 468.027 5.284 50 10 JKGE CC(=NNC(=O)[C@@H](C)SCc1ccccc1)c1ccc2c(c1)[C@@H]1C=CC[C@@H]1[C@H](c1ccc(F)cc1)N2 725384380 DRNFWIJUNWUDPS-ZLGCBXFLSA-N 499.655 6.814 50 10 JKGE Cc1cc(/C=C(\C#N)C(=O)N2CCN(c3ccccc3)CC2)c(C)n1-c1ccc2ccccc2c1 1083849898 QBYSDFNZZNQUEN-ZXVVBBHZSA-N 460.581 5.503 50 10 JKGE N#C/C(=C/c1cc(Cl)ccc1OCc1ccc(F)cc1)C(=O)Nc1ccc(Cl)c(Cl)c1 1083913604 VDNWTDLESXCPBW-SXGWCWSVSA-N 475.734 6.911 50 10 JKGE CCCCCCOc1ccccc1C=NNC(=O)c1cccc(I)c1 1083931579 ZYUSQDZUWVGKRG-UHFFFAOYSA-N 450.320 5.014 50 10 JKGE CCOc1ccc([C@@H](O)CCC(=O)NN=Cc2ccc(OCc3ccccc3Cl)c(OC)c2)cc1 1084322896 GEXSOKNDUAQADM-DEOSSOPVSA-N 496.991 5.290 50 10 JKGE N#CC1=NN(c2ccc(Cl)cc2)[C@@H](c2ccccc2)C2=C1OC(N)=C(C#N)[C@H]2c1ccccc1 1088670227 QBWALGKCKNWJBH-NOZRDPDXSA-N 463.928 5.543 50 10 JKGE CCOc1cc(C=NNC(=O)[C@H](C)Oc2ccc(-c3ccccc3)cc2)cc(Br)c1O 1772755744 QNJZZXIUJCOTCE-INIZCTEOSA-N 483.362 5.138 50 10 JKGE Cc1cc(OCC(=O)NN=Cc2cccc(Br)c2)c(Br)c(C)c1Cl 1772756563 WLIIBPSFCPSFNI-UHFFFAOYSA-N 474.580 5.011 50 10 JKGE C[C@H](Oc1ccc(Cl)cc1Cl)C(=O)Nc1cccc(C(=O)Nc2ccc(SC#N)cc2)n1 1860561929 XKCAWGOVKKVKAF-ZDUSSCGKSA-N 487.368 5.620 50 10 JKGE CCCc1nn(-c2ccc(Cl)c(Cl)c2)c2c1[C@H](c1ccc(Cl)cc1)C(C#N)=C(N)O2 1865683045 DSOKAYPDYBXZMZ-LJQANCHMSA-N 459.764 6.003 50 10 JKGE COc1ccc(-c2nn(Cc3cccc(F)c3)c3c2[C@@H](c2ccccc2F)C(C#N)=C(N)O3)cc1 1865684167 VIXLXRGCEDACPS-QHCPKHFHSA-N 470.479 5.103 50 10 JKGE Cc1ccc(Cn2nc(-c3ccccc3)c3c2OC(N)=C(C#N)[C@@H]3c2ccc(C(C)C)cc2)cc1 1865685622 KYLBUTIWZRHSDE-SANMLTNESA-N 460.581 6.248 50 10 JKGE COc1cc([C@H]2C(C#N)=C(N)Oc3c2c(C)nn3-c2ccccc2Cl)ccc1OCc1ccccc1 1865687241 MWDGDIYWTIAIGW-SANMLTNESA-N 498.970 5.640 50 10 JKGE CCCCCOc1ccc([C@H]2C(C#N)=C(N)Oc3c2c(C)nn3Cc2c(F)cccc2Cl)cc1 1865689688 CLGPXDAIPKODPU-DEOSSOPVSA-N 480.971 5.820 50 10 JKGE N#CC1=C(N)Oc2c(c(-c3ccccc3)nn2-c2cccc3ccccc23)[C@@H]1c1ccc(F)cc1F 1865702224 PTROHQWSFJBNAN-RUZDIDTESA-N 476.486 6.189 50 10 JKGE COc1ccc(-c2nn(-c3ccc(Cl)cc3)c3c2[C@@H](c2cccc(F)c2)C(C#N)=C(N)O3)cc1 1865711241 TYDIDXUULIVZIY-QFIPXVFZSA-N 472.907 5.559 50 10 JKGE COc1cc(/C=N\NC(=O)c2ccc(-c3ccccc3OC)nc2C)ccc1OCc1ccccc1 1865762386 COBWDMXAABZWIP-YKQZZPSBSA-N 481.552 5.417 50 10 JKGE N#CSc1ccc(NC(=O)[C@H](Cc2ccccc2)NC(=O)C[C@H](c2ccccc2)C2CC2)cc1 1866729704 NOWZIYRQGQIHSE-FTJBHMTQSA-N 469.610 5.510 50 10 JKGE C=CCOc1ccccc1OC/C(O)=C(\C#N)c1nc(-c2ccc(OC)c(OC)c2)cs1 1872745175 CXOJXNGVVJHUNU-ZPHPHTNESA-N 450.516 5.264 50 10 JKGE COc1ccc(/C=C(C(/O)=C(\C#N)c2nc(-c3ccc4c(c3)CCCC4)cs2)\c2ccccc2)cc1 1872745610 VSEWRDQFOWXFRQ-OSJPICRCSA-N 490.628 7.731 50 10 JKGE N#C/C(=C(/O)c1ccc2c(c1)C(=O)N(c1ccccc1Cl)C2=O)c1nc(-c2ccccc2)cs1 1872748462 YJRDTUWEWYAIHP-NMWGTECJSA-N 483.936 6.214 50 10 JKGE COc1cc(C)c(-c2csc(/C(C#N)=C(\O)c3ccc(NS(C)(=O)=O)cc3)n2)cc1C(C)C 1872753585 DUAKAWPUYDWWAN-ATJXCDBQSA-N 483.615 5.572 50 10 JKGE COc1ccc(-c2csc(/C(C#N)=C(\O)[C@@H](C)Oc3ccc(Cl)cc3Cl)n2)c(OC)c1 1872755516 RFMFVQPZZQEDEA-IGUAEOCPSA-N 477.369 6.394 50 10 JKGE COc1ccc(/C=C/C(O)=C(\C#N)c2nc(-c3cc(C(C)(C)C)ccc3C)cs2)c(OC)c1 1872756397 YNZPDTHTLDUIRM-UOPCGYQESA-N 460.599 6.939 50 10 JKGE COc1cc(/C=C(\C#N)c2nc(-c3ccc(Cl)cc3)cs2)ccc1OCCCc1ccccc1 1872790084 JYOMBYKSDNGELZ-XQNSMLJCSA-N 487.024 7.548 50 10 JKGE CCCCCOc1ccc(/C=C(\C#N)c2nc(-c3cc(C)ccc3OC)cs2)cc1OCC 1872790864 IPROKBWRYJFOOV-RCCKNPSSSA-N 462.615 7.159 50 10 JKGE C[C@H](CCCl)N(Cc1ccccc1)C(=O)c1ccc(Cl)cc1I 1901581311 AMBPOCKIERURPJ-CYBMUJFWSA-N 462.158 5.604 50 10 JKGE Cc1c(Br)sc([C@@H](Br)[C@H]2CCOc3ccccc32)c1Br 1922879920 AMBSQWFRGPDUNF-GWCFXTLKSA-N 481.047 6.584 50 10 JKGE C[C@@H]1CC[C@@](C)([C@H](Br)c2sc(Br)cc2Br)C1(C)C 1922885979 JBONVDPIRKTEPV-RGZBUGHASA-N 459.085 7.172 50 10 JKGE CS(=O)(=O)c1cccc([C@H](Cl)c2c(Br)sc(Br)c2Cl)c1 1923047469 BVMSAFTWAQQRSW-VIFPVBQESA-N 479.042 5.658 50 10 JKGE Brc1ccc([C@H](Br)Cc2ccncc2Br)c(Br)c1 1924052335 MDWJUHIEPOQHGE-LLVKDONJSA-N 498.838 6.048 50 10 JKGE Clc1sc(Br)c(Cl)c1[C@@H](Br)c1ccc2c(c1)OCCO2 1925600763 SWMLDTXJGQHNPE-JTQLQIEISA-N 458.986 6.073 50 10 JKGE CCc1cc(C)sc1[C@H](Br)c1csc(Br)c1Br 1945189899 BVMMVSADFKOCJB-SECBINFHSA-N 459.066 6.690 50 10 JKGE Cc1csc([C@H](Cl)c2sc(Br)c(C)c2Br)c1Br 1950881525 GVTAPWPEJSNORE-QMMMGPOBSA-N 479.484 7.042 50 10 JKGE Clc1c(Br)sc(Br)c1[C@H](Br)[C@@H]1[C@H]2[C@H]3C[C@@H]1C[C@H]32 2016553130 RCRKZVNJFWGRKM-PRBAGFKUSA-N 461.444 6.265 50 10 JKGE CCc1sc(Br)cc1[C@@H](Br)c1cc(Cl)ccc1Br 2030218180 FQTXEBUHFRJPOH-ZDUSSCGKSA-N 473.455 6.973 50 10 JKGE CC(C)(C)[C@H](C[C@H](Br)c1cc(Br)c(Br)s1)C(F)F 2048749475 ROYPQTNLONEVPN-RQJHMYQMSA-N 469.027 7.027 50 10 JKGE CC(C)(C)CN(Cc1ccccc1)S(=O)(=O)c1ccc(CBr)cc1Br 2059312370 KGYJSBNMTNMIGO-UHFFFAOYSA-N 489.273 5.581 50 10 JKGE FC(F)(F)c1ccc(Cn2nc(CBr)c3c2C[C@H]2C[C@H]32)cc1Br 2080758478 BRMDKKNGDJSOBQ-ZJUUUORDSA-N 450.096 5.267 50 10 JKGE Cc1cc(Cl)c(Br)cc1[C@H](Br)c1ccc(Br)cc1 2082376612 JMFOOFQMXDWECN-CQSZACIVSA-N 453.399 6.658 50 10 JKGE COc1c(Cl)cc(Br)cc1[C@H](Br)c1ccoc1Br 2082858814 LDVRULRCUBNXOI-SNVBAGLBSA-N 459.359 5.951 50 10 JKGE CC(C)(C1CCCCC1)[C@H](Br)c1cc(Br)ccc1Br 2093192121 FDWUPLFERRFRES-OAHLLOKOSA-N 453.056 7.254 50 10 JKGE CC(C)CN1C[C@H](Br)[C@H](Cc2cccc(Br)c2Br)C1 2100720795 FKIUUEQXLJKVLO-OCCSQVGLSA-N 454.044 5.105 50 10 JKGE C[C@@H](Cl)c1nc2cc(Br)c(Cl)cc2n1C[C@@H](C)N(C)Cc1ccccc1 2103815297 LZTLFOWXJUELOW-ZIAGYGMSSA-N 455.227 6.273 50 10 JKGE CC(C)(C)C1CC(CBr)(Cc2ccc(Br)cc2Br)C1 2104973951 DQWHHSBQJGQIDP-UHFFFAOYSA-N 453.056 6.592 50 10 JKGE Cc1c(Cl)cc([C@@H](Br)Cc2ccncc2Br)cc1Br 2111082897 KVGVAHOQYJLRJX-LBPRGKRZSA-N 468.414 6.247 50 10 JKGE C[C@H](Cl)c1nc2cc(Cl)c(Br)cc2n1C(C)(C)COCc1ccccc1 2112695802 JZAZKEHYIVZHGR-ZDUSSCGKSA-N 456.211 6.704 50 10 JKGE CN(Cc1cccc(Br)c1Br)[C@H](CCBr)C(F)(F)F 2122002198 RMNRSPISLLFMPD-SNVBAGLBSA-N 467.949 5.359 50 10 JKGE O=S(=O)(c1cc(CBr)ccc1Cl)N(Cc1ccccc1)C1CCCCC1 2123198716 HVTLZUUZZQTAEL-UHFFFAOYSA-N 456.833 5.759 50 10 JKGE Clc1c(Br)sc(Br)c1[C@H](Br)[C@H]1C[C@@H]1C1CCCCC1 2135274813 YQUOUIUAKHTDGH-WCABBAIRSA-N 491.514 7.579 50 10 JKGE Cl[C@H](c1c(Br)sc(Br)c1Br)[C@H]1C[C@@H]1C1CCOCC1 2135276191 HEDPMKYLXUVIQZ-FYBVGQRMSA-N 493.486 6.378 50 10 JKGE CC(C)OC(C)(C)CC(CBr)(CBr)c1ccc(Br)cc1 2143499775 VZEMWSGQOZUPMQ-UHFFFAOYSA-N 471.071 6.070 50 10 JKGE C[C@H](Cl)c1nc2cc(I)c(F)cc2n1Cc1nccn1Cc1ccccc1 2146213281 CQOYIZUDDWUTGW-ZDUSSCGKSA-N 494.739 5.373 50 10 JKGE C[C@H](c1cnn(Cc2ccccc2)c1)n1c(CCCl)nc2cc(I)ccc21 2146218578 YZQRIUHBUDWUAU-OAHLLOKOSA-N 490.776 5.276 50 10 JKGE C[C@@H](Br)C[C@H]1CCCCN1C(=O)c1c(Br)cccc1Br 2150489340 BLACFRXBMPHSJS-GHMZBOCLSA-N 468.027 5.380 50 10 JKGE Cc1cc([C@@H](Br)c2cc(Br)cc3c2O[C@@H](C)C3)c(Br)s1 2157244628 CAUPCPSJQVNPSH-CPFSXVBKSA-N 481.047 6.389 50 10 JKGE ClCc1nc2cc(I)ccc2n1Cc1snc(Cl)c1Cl 2167216996 LPKBVQDXOBWXDI-UHFFFAOYSA-N 458.539 5.191 50 10 JKGE Cc1cc(Br)c(C)c([C@H](Br)[C@@H]2COCCC2(F)F)c1Br 2201080425 YDCOIZOMPOWEAU-TVQRCGJNSA-N 476.981 5.936 50 10 JKGE Fc1cc(Br)c([C@@H](Cl)c2cc(Cl)cc(Br)c2)c(F)c1Cl 2201609870 BKUHRDWKSGPFLO-NSHDSACASA-N 465.346 7.125 50 10 JKGE COc1cc2c(cc1Br)nc([C@@H](C)Cl)n2CCCN(C)Cc1ccccc1 2202311246 CPWBGBYXIYYRMH-OAHLLOKOSA-N 450.808 5.629 50 10 JKGE BrCc1ccc(Br)cc1OC[C@H]1CC1(Br)Br 2210245390 MJGCCASSRCADLK-MRVPVSSYSA-N 477.816 5.229 50 10 JKGE CCN1C[C@H](Br)[C@@H](c2sc(Br)c(Br)c2Br)C1 2212201403 WUTRCNKSKRXAMS-WDSKDSINSA-N 496.888 5.218 50 10 JKGE Cn1nc([C@@H](Cl)c2cc(Br)c(Br)cc2F)cc1Br 2218606412 QWLMJVXORWCOAP-NSHDSACASA-N 461.354 5.175 50 10 JKGE Cc1sc(C[C@@H](Br)c2cccc(Br)c2)c(C)c1Br 2218930502 DJEBJMBTJWIMPU-GFCCVEGCSA-N 453.037 6.569 50 10 JKGE Fc1cc(Br)c(Br)cc1[C@H](Br)C[C@H]1CCCOCC1 2225615242 FGRBMAFKWBXWFQ-GXSJLCMTSA-N 458.991 5.994 50 10 JKGE Cc1cc(Br)c([C@@H](Br)c2cc(Cl)c(Cl)c(Cl)c2Cl)s1 2229331134 WRMWEQNHZOEYAN-QMMMGPOBSA-N 483.867 7.917 50 10 JKGE Cc1cc(Br)c([C@H](Br)Cc2ccccc2Br)c(C)c1Cl 2232511288 JRLCOZFWXBICEG-CQSZACIVSA-N 481.453 7.161 50 10 JKGE Clc1cc(Br)c([C@H](Br)C2CC[C@@H]3C[C@H]3CC2)c(Cl)c1Cl 2232521458 TWVYAJQBNUMCQA-JRKPZEMJSA-N 461.452 7.672 50 10 JKGE CC1(C)C[C@H](n2c(CCl)nc3c(F)cc(Br)cc32)CN1Cc1ccccc1 2232924102 SFXWFMYKDZHUIP-INIZCTEOSA-N 450.783 5.902 50 10 JKGE Cc1sc([C@H](Cl)c2csc(Br)c2Br)c(Br)c1C 2246380374 TXVBHASRVDFTPH-SECBINFHSA-N 479.484 7.042 50 10 JKGE Cc1cc(Br)c([C@H](Br)c2sncc2Br)c(C)c1F 2253504329 KSCXLSPYHYSNCA-JTQLQIEISA-N 457.988 5.908 50 10 JKGE ClCc1ccc(Br)c(Oc2cc(I)ccc2Cl)n1 2259953571 QVCNGFRDDMVUJC-UHFFFAOYSA-N 458.908 5.633 50 10 JKGE C[C@H](CCCCCBr)NC(=O)c1ccc(Cl)c(I)c1 2268357908 KOOMHAYIIUFUGN-SNVBAGLBSA-N 458.565 5.018 50 10 JKGE Brc1cccc(Br)c1[C@@H](Br)c1ccc(C2CCC2)s1 2271973858 NYKCECJEWBDGJS-HNNXBMFYSA-N 465.048 7.025 50 10 JKGE C[C@@H](Br)CN(C(=O)c1cc(Br)ccc1Br)C(C)(C)C 2272478246 AYUPVBOLVJTLHW-SECBINFHSA-N 456.016 5.236 50 10 JKGE Fc1cc(Br)c(F)c(Br)c1[C@H](Br)[C@H]1C[C@@]12CC2(F)F 2272728979 ZCYVGBGYFCSEKJ-LEXRKQAVSA-N 466.892 5.971 50 10 JKGE Fc1cc(Br)c(F)c(Br)c1[C@H](Br)C1CCC(F)CC1 2272747023 FHICWEREUOLHQG-UAAUVXIDSA-N 464.945 6.454 50 10 JKGE CC1(C)C[C@H](C[C@@H](Br)Cc2cc(Br)cc(Br)c2)CO1 2277955108 IFNDNSYWAZWLGW-RYUDHWBXSA-N 455.028 5.723 50 10 JKGE Cc1cc(C(F)(F)F)sc1[C@H](Br)c1ccc(Br)cc1Br 2295060524 UNZRCNJYMSFFQV-LLVKDONJSA-N 492.980 7.085 50 10 JKGE FC1(F)CC[C@]2(C1)[C@@H](Br)C[C@@H]2Oc1ccc(Br)cc1Br 2295115320 OTCAJYIIJZVHOQ-AVGNSLFASA-N 474.965 5.932 50 10 JKGE COc1cc(C)c(Cl)cc1[C@@H](Br)c1ccc(Br)cc1Br 2295299819 VLJANXUSSBREJB-HNNXBMFYSA-N 483.425 6.666 50 10 JKGE COc1cc(C)c(Cl)cc1[C@H](Br)c1cc(I)ccc1F 2295360247 OPEQDEHRPYKIBX-OAHLLOKOSA-N 469.519 5.885 50 10 JKGE COc1ccc(NC=C(C#N)c2nc(-c3ccc(-c4ccccc4)cc3)cs2)c([N+](=O)[O-])c1 2296800593 HVUQPOXNTFCQPI-UHFFFAOYSA-N 454.511 6.370 50 10 JKGE COc1cccc(C=C2CCCC3=C2OC(N)=C(C#N)[C@H]3c2cccc(OC)c2OC)c1OC 2296907830 CTVLQMQEWOKQLT-HSZRJFAPSA-N 460.530 5.050 50 10 JKGE N#CC(=Cc1ccc(OCC(N)=O)cc1)c1nc(-c2cccs2)c(NC(=O)c2cccs2)s1 2297455981 CYQUZEQGCOZVDL-UHFFFAOYSA-N 492.607 5.114 50 10 JKGE Brc1cc(OCc2ccccc2)ccc1[C@H](Br)[C@@H]1C[C@@H]1C1CCC1 2299491042 BIIVAQMEUOWKMY-SBHAEUEKSA-N 450.214 6.900 50 10 JKGE CCC(F)(F)[C@@H](Br)c1c(Cl)cc(Br)c(F)c1Br 2300167280 XCIPUQWBBHQPTK-VIFPVBQESA-N 459.325 6.485 50 10 JKGE CCOc1cc(C=C(C#N)C(=O)N(C)C)c(Br)cc1OCc1ccc2ccccc2c1 2313567240 FBTROERLDJABJZ-UHFFFAOYSA-N 479.374 5.575 50 10 JKGE FC1(F)CC[C@@H]2[C@H]([C@H](Br)c3cc(Br)ccc3OCc3ccccc3)[C@H]21 2314438740 AYCCHIMEGKGSSA-GRGSLBFTSA-N 472.167 6.755 50 10 JKGE Brc1cc(OCc2ccccc2)ccc1[C@@H](Br)[C@@H]1CCCC12CCC2 2314442270 BEIHTMINUGQKNK-PZJWPPBQSA-N 464.241 7.435 50 10 JKGE Brc1cc(OCc2ccccc2)ccc1[C@@H](Br)[C@@H]1C[C@H]1C1CCCC1 2314502215 GOJAGXQFQRJNHR-TUNNFDKTSA-N 464.241 7.290 50 10 JKGE Cc1cccc(NC(=O)C(C#N)=Cc2c(Oc3cc(C)cc(C)c3)nc3c(C)cccn3c2=O)c1 2314533896 UXCLDONRPRNSTG-UHFFFAOYSA-N 464.525 5.266 50 10 JKGE COc1cc(C=C2C(=O)N(C3CCCCC3)C(=O)C(C#N)=C2C)ccc1OCc1ccc(C)cc1 2314616482 BVJFGOPAYNGAFL-UHFFFAOYSA-N 470.569 5.508 50 10 JKGE CC[C@@]1(C)[C@@H](Br)CCN1C(=O)c1cc(Br)sc1Br 2315152369 QVPAQITYNGHAKZ-UFBFGSQYSA-N 460.029 5.051 50 10 JKGE Clc1cc(I)c([C@H](Br)[C@@H]2C[C@H]3CCC[C@H](C3)C2)s1 2316596919 LIOLNHNJPNETHZ-KEPMVKOISA-N 459.618 6.659 50 10 JKGE FC(F)(F)c1cscc1[C@H](Br)c1sc(Cl)cc1I 2316607470 SIDWFSWBIMRGHR-QMMMGPOBSA-N 487.531 6.571 50 10 JKGE C[C@H]1CC2CC([C@H](Cl)c3c(Br)sc(Br)c3Br)(C2)O1 2319569840 NSCKYNPKKUYSGI-SXIVNMFKSA-N 479.459 6.273 50 10 JKGE CC(C)(C)OC(=O)N1CCC(CI)(OC[C@@H]2CC[C@@H]2C(C)(C)C)CC1 2320190370 WMSDIYZXBVJRIX-HOTGVXAUSA-N 465.416 5.280 50 10 JKGE N#CC(=Cc1ccc(OC(=O)CCCN2C(=O)c3ccccc3C2=O)cc1)c1cccc(Cl)c1 2320506461 KEPTZFYLNHGABZ-UHFFFAOYSA-N 470.912 5.386 50 10 JKGE C[C@H](c1ccncc1F)[C@@H](Br)c1cc(Br)c(Br)s1 2321453336 SGTYZBLUANGYNZ-KSBSHMNSSA-N 457.988 6.047 50 10 JKGE C[C@@H]1CC[C@H](Br)[C@@H](Cc2ccc(I)c(Br)c2)CC1 2325173930 BTIUMETXYLNMBM-UHTWSYAYSA-N 486.029 6.186 50 10 JKGE CCOc1ccc(C)cc1[C@@H](C)NC=C(C#N)C(=O)Nc1ccccc1Sc1ccccc1 2325336116 AHDUWPWSUOJDEG-HXUWFJFHSA-N 457.599 6.242 50 10 JKGE FC1(F)CCC[C@@H]2[C@@H]([C@H](Cl)c3c(Br)sc(Br)c3Br)[C@@H]21 2330160026 GUESTKGPLPJSSB-WRTIISMISA-N 499.440 6.997 50 10 JKGE COc1ccc(-c2csc(C(C#N)=C(O)[C@@H](C)Oc3ccccc3C(C)C)n2)cc1OC 2331242485 HLFZUIPYEOIMMS-MRXNPFEDSA-N 450.560 6.211 50 10 JKGE CCOc1ccc(-c2csc(C(C#N)=C(O)c3ccc(OC(C)=O)cc3)n2)c(OCC)c1 2331389058 MOKLEZVFVQXQHP-UHFFFAOYSA-N 450.516 5.483 50 10 JKGE Brc1ccc(OCc2ccccc2)c([C@@H](Br)[C@H]2CC3(CCCC3)CO2)c1 2336056712 LCJGMUPWKMPFKR-NHCUHLMSSA-N 480.240 6.813 50 10 JKGE CCCc1sc(Br)cc1[C@H](Cl)c1ccc(Cl)cc1I 2340068976 UEOLBWKFZFCEOF-CQSZACIVSA-N 490.031 7.049 50 10 JKGE COCc1cc(Br)cc(C[C@@H](Br)c2ccccc2Br)c1 2362285717 XEDNNXINOLQDGW-MRXNPFEDSA-N 463.007 6.037 50 10 JKGE COc1c(Br)cc(C)c([C@@H](Br)c2cnc(Cl)n2C)c1Br 2365235449 LVUFHKVITWRJIM-JTQLQIEISA-N 487.417 5.400 50 10 JKGE CN(Cc1ccc(CBr)cc1)Cc1c(Br)cccc1Br 2366182552 IRRVUUUQPIYEHD-UHFFFAOYSA-N 462.023 5.739 50 10 JKGE Cc1ccccc1C[C@@H](CBr)Cc1cc(I)ccc1Cl 2380464465 ATXGPRUPKCKZCR-CYBMUJFWSA-N 463.584 6.049 50 10 JKGE CC(C)(C)c1ccc(OCC(=O)N/N=C/c2ccccc2C(F)(F)F)c(Br)c1 14018309 DYRZDCOFLWJSAY-OPEKNORGSA-N 457.290 5.295 50 10 JKGE N#C/C(=C\c1ccc(-c2cccc(C(F)(F)F)c2)o1)c1nc(-c2ccc(Cl)cc2)cs1 28356466 JKGOUOHBXVXONO-LFIBNONCSA-N 456.876 7.806 50 10 JKGE Cc1ccccc1N1CCN(C(=O)/C(C#N)=C2\SC=C(c3ccccc3)N2c2ccccc2)CC1 33363128 BBENGKATONGFKP-GNVQSUKOSA-N 478.621 5.631 50 10 JKGE Cc1ccccc1NC(=O)/C(C#N)=C1/S[C@H](Cc2ccc(F)cc2)C(=O)N1c1ccccc1 33445465 ZMEZSCFCYVUKLR-QPSWJSTDSA-N 457.530 5.199 50 10 JKGE CC(C)Oc1ccc(C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@@H]3c2ccc(Cl)cc2Cl)cc1 38655403 JHHHAZOPCDXADZ-XMMPIXPASA-N 495.362 6.218 50 10 JKGE CCCCOc1ccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4cccc(C)c4)ccc32)cc1OC 38660051 ILGIAYJUWNDELR-MHZLTWQESA-N 484.552 5.620 50 10 JKGE CCOc1cccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4oc5ccc(C)cc5c4C)ccc32)c1 38701239 YJYUZPAZNPBAOT-AREMUKBSSA-N 480.520 5.886 50 10 JKGE CCc1ccccc1NC(=O)c1oc2c(c1C)/C(=N/NC(=O)c1cncc(Br)c1)CCC2 40822964 PQYAQMISRJOINM-TURZUDJPSA-N 495.377 5.031 50 10 JKGE Cc1cc(C)c2c(CC(=O)N/N=C3\CCCc4oc(C(=O)Nc5cccc(C)c5C)c(C)c43)coc2c1 40826855 YHAIPVXYGJWYPQ-AWSUPERCSA-N 497.595 6.220 50 10 JKGE CCOc1cc(/C=N\NC(=O)CC[C@H](O)c2ccccc2)ccc1OCc1ccc(Cl)cc1 58890306 NSULVCZVQGXNCU-MPTKSEEOSA-N 466.965 5.282 50 10 JKGE C/C(=N\NC(=O)CCCSc1nnc(CCc2ccccc2)n1-c1ccccc1)c1ccccc1 58990779 PWFZTGISFVIMCU-QUPMIFSKSA-N 483.641 5.465 50 10 JKGE COc1ccc(/C(CSc2nc3ccccc3o2)=N\NC(=O)c2cccc(Cl)c2)cc1 59460685 GQBKYYODFAPSSZ-QOMWVZHYSA-N 451.935 5.416 50 10 JKGE Brc1cccc(Br)c1O[C@H]1C[C@@H](Br)C12CCCCC2 97638437 CVUBJVOFWHELCK-OLZOCXBDSA-N 453.012 6.077 50 10 JKGE N#C/C(=C(/O)c1ccc(-c2ccc([N+](=O)[O-])cc2)o1)c1nc(-c2ccc(Br)cc2)cs1 100989522 HOAUCZMBAUQNFM-FXBPSFAMSA-N 494.326 6.691 50 10 JKGE C=CCNC(=O)/C(C#N)=C1\S[C@@H](Cc2cccc(Cl)c2Cl)C(=O)N1c1ccc(CC)cc1 101241488 BKWVGQPJXUSAQO-JHMOUWFPSA-N 486.424 5.284 50 10 JKGE CCSc1ccc(-c2nn(-c3ccccc3)cc2/C=C2/C(=O)N(CC)C(=O)C(C#N)=C2C)cc1 101332513 YHNPHKUOEDSOSG-HZHRSRAPSA-N 468.582 5.263 50 10 JKGE COc1ccc([C@@H](Br)c2ccc(Br)cc2Cl)c(Br)c1 109876914 KRUXJSSRBKMSJX-CQSZACIVSA-N 469.398 6.358 50 10 JKGE Cc1cc(Br)c([C@H](Br)c2ccccc2OC(F)F)cc1Br 128741119 BRAGZZSSKUCJPX-CQSZACIVSA-N 484.960 6.606 50 10 JKGE O=c1[nH]c2ccc([C@H](Br)c3cc(Br)ccc3Br)cc2o1 161088936 OBIPIUGEEJVTKN-ZDUSSCGKSA-N 461.935 5.130 50 10 JKGE Brc1ccc(Br)c([C@H](Br)Cc2ccc3ccccc3c2)c1 161182708 STSXCEHEIVPBPW-GOSISDBHSA-N 469.014 7.044 50 10 JKGE COc1ccc(Br)cc1[C@@H](Br)c1c(F)cccc1Br 161189533 MJOMSZJOCQFSHP-CQSZACIVSA-N 452.943 5.844 50 10 JKGE COc1ccc([C@H](Br)c2c(F)cccc2Br)c(OC)c1Br 161231201 ULUPOWJDIKTQTI-ZDUSSCGKSA-N 482.969 5.852 50 10 JKGE BrCC(CBr)(Cc1ccccc1)Cc1cncc(Br)c1 169002603 KUBXHGPKDICZCX-UHFFFAOYSA-N 462.023 5.406 50 10 JKGE COC(=O)c1c(NC(=O)/C(C#N)=C\c2ccc(OC)cc2)sc(C)c1-c1ccc(F)cc1 206882053 NWMOSNYWWGOCPR-ATVHPVEESA-N 450.491 5.204 50 10 JKGE N#C/C(=C/c1cc([N+](=O)[O-])ccc1OCC(=O)Nc1nccs1)c1nc(-c2cccs2)cs1 214016515 FVVGBMJVNHRYQS-ZSOIEALJSA-N 495.567 5.318 50 10 JKGE COC(C)(C)CCC(CBr)(CBr)c1ccccc1Br 230928161 DSAXXQQJZCCMEZ-UHFFFAOYSA-N 457.044 5.682 50 10 JKGE COc1ccc([C@@H](Br)c2cc(Br)cc(Br)c2)c(Cl)c1 234970869 DZIYTLXRLPUXKM-AWEZNQCLSA-N 469.398 6.358 50 10 JKGE COc1ccc([C@H](Br)c2ccc(Br)cc2Br)c(Cl)c1 234995784 NBGRAWWBKXDAEV-CQSZACIVSA-N 469.398 6.358 50 10 JKGE Cc1cc(C)c(C)c([C@H](Br)c2cc(Br)sc2Br)c1C 235823306 GNHPLUPUFHDATG-CQSZACIVSA-N 467.064 6.991 50 10 JKGE Cc1ccc(CSc2nnc(SCC(=O)NN=Cc3cccc4ccccc34)s2)cc1 254738979 QHWPLDQEKFUXHP-UHFFFAOYSA-N 464.641 5.534 50 10 JKGE CC(=NNC(=O)CSc1nnc(-c2ccccc2)n1-c1ccc(C)cc1)c1ccc2ccccc2c1 254752677 NEBPTJPCTXYURS-UHFFFAOYSA-N 491.620 6.028 50 10 JKGE CCc1cc(C(=O)NN=Cc2cn(Cc3cccc(C(F)(F)F)c3)c3ccccc23)cs1 254763580 OHPMTYLJVDTLEI-UHFFFAOYSA-N 455.505 6.096 50 10 JKGE C=CCOc1ccc(C(=O)NN=Cc2ccc(OC(=O)c3ccc(OCCCC)cc3)cc2)cc1 254874165 KFBUBEVLUPJAMA-UHFFFAOYSA-N 472.541 5.413 50 10 JKGE C[C@H](Cl)c1nc2ccncc2n1-c1cc(Br)ccc1I 312928857 DTFJISGOYJWKFM-QMMMGPOBSA-N 462.516 5.087 50 10 JKGE Fc1ccc([C@H](Cl)c2ccc(Br)cc2Br)c(F)c1Br 691542951 RXQLUBDMGYBKFN-GFCCVEGCSA-N 475.352 6.581 50 10 JKGE C[C@@H]1CCCN(Cc2cc(Cl)ccc2I)[C@H]1CCBr 697260773 ZWKMQANAXLNUFZ-ABAIWWIYSA-N 456.593 5.330 50 10 JKGE O=C(N[C@@H]1CCCCC[C@@H]1Br)c1scc(Br)c1Br 705411486 YGMIAZWZOQCICR-IONNQARKSA-N 460.029 5.099 50 10 JKGE C[C@H]1CN(Cc2ccccc2)C[C@H]1CCn1c(CCl)nc2cc(I)ccc21 723746792 WRLNEYHOIUTTNJ-FUHWJXTLSA-N 493.820 5.538 50 10 JKGE Cc1sc([C@@H](Br)c2cc(Cl)ccc2Br)c(C)c1Br 724910492 VTAYJNKJEZOCEO-LBPRGKRZSA-N 473.455 7.028 50 10 JKGE Cc1cc(C=NNC(=O)[C@@H](C)SCc2ccccc2)c(C)n1-c1cc(Cl)ccc1Cl 1083891770 USMAVVZLBCAOTM-QGZVFWFLSA-N 460.430 6.173 50 10 JKGE C=CCOc1ccc(Br)cc1C=NNC(=O)[C@H](C)Oc1ccc(OCCCCC)cc1 1083912426 BFCIIIBMPXBMDD-SFHVURJKSA-N 489.410 5.501 50 10 JKGE O=C(NN=Cc1ccc(Br)cc1)c1ccc(CN2CCC(Cc3ccccc3)CC2)cc1 1083987900 SQOFQFHYVAKFEW-UHFFFAOYSA-N 490.445 5.668 50 10 JKGE CCCN(CCC)c1ccc(C(=O)NN=C2C(=O)N(Cc3ccccc3F)c3ccccc32)cc1 1083998451 HINTWMKACWDERJ-UHFFFAOYSA-N 472.564 5.133 50 10 JKGE Cc1ccc(NC(=O)/C(C#N)=C/c2cc(Br)ccc2OCc2cccc3ccccc23)cc1 1084101143 NEPUPTCINAARFV-HZHRSRAPSA-N 497.392 7.035 50 10 JKGE CCOc1ccc([C@H](O)CCC(=O)NN=Cc2cc(C)n(-c3sc(C)c(C)c3C#N)c2C)cc1 1084328446 RQYKLMMWIMZRTI-XMMPIXPASA-N 478.618 5.007 50 10 JKGE Cc1ccc(-c2ccccc2)n1-c1ccc(C(=O)NN=Cc2ccc(OCC(C)C)cc2)cc1 1084424293 FEQZIMFVRIOPLS-UHFFFAOYSA-N 451.570 6.251 50 10 JKGE CC(C)(COC(=O)c1ccccc1)CN(NC(=O)c1ccc(Cl)cc1)C(=O)c1ccccc1 1088686915 XJSXEFBQXJIRLW-UHFFFAOYSA-N 464.949 5.010 50 10 JKGE Cc1ccc2cccc(OC(=O)c3oc4c(c3C)C(=NNC(=O)c3ccccc3F)CCC4)c2n1 1772744038 PGVWQQMNCBKLOI-UHFFFAOYSA-N 471.488 5.273 50 10 JKGE CCCOc1ccc(/C=C/C(=O)N/N=C2\C(=O)N(Cc3ccccc3Cl)c3ccccc32)cc1 1860822414 CVYZBIUIHYSKJG-FYPDOCMQSA-N 473.960 5.209 50 10 JKGE Cc1ccc(Cn2nc(-c3ccccc3)c3c2OC(N)=C(C#N)[C@H]3c2ccc(Cl)cc2Cl)cc1 1865685782 NEYOITNOYFUAAT-HSZRJFAPSA-N 487.390 6.432 50 10 JKGE Cc1ccc(O)c([C@H]2C(C#N)=C(N)Oc3c2c(C(F)(F)F)nn3-c2ccc(Cl)c(Cl)c2)c1 1865687040 HZPMAVPBOWKHAO-INIZCTEOSA-N 481.261 5.430 50 10 JKGE CCCc1nn(Cc2ccc(Cl)c(Cl)c2)c2c1[C@@H](c1cccc(OCC)c1)C(C#N)=C(N)O2 1865689737 DMLWTPAZLVNKGL-QFIPXVFZSA-N 483.399 5.808 50 10 JKGE CCOc1cccc([C@H]2C(C#N)=C(N)Oc3c2c(-c2ccc(OC)cc2)nn3-c2cccc(Cl)c2)c1 1865690430 QZBCOCULGKRNNA-DEOSSOPVSA-N 498.970 5.818 50 10 JKGE CCCOc1ccc([C@H]2C(C#N)=C(N)Oc3c2c(CC)nn3-c2ccc(Cl)cc2)cc1OCC 1865691141 KKMSQDVKYUOQDD-QHCPKHFHSA-N 478.980 5.494 50 10 JKGE COc1cc([C@H]2C(C#N)=C(N)Oc3c2c(-c2ccccc2)nn3-c2ccc(C)cc2)ccc1OC(C)C 1865697621 YFIRGYYLGHMUBE-SANMLTNESA-N 492.579 5.862 50 10 JKGE CCCc1nn(Cc2ccc(Cl)c(Cl)c2)c2c1[C@H](c1cccc(OC)c1OC)C(C#N)=C(N)O2 1865701099 LUXFJTUOITYEHG-OAQYLSRUSA-N 499.398 5.426 50 10 JKGE CCCc1nn(Cc2c(F)cccc2Cl)c2c1[C@H](c1ccc(F)cc1F)C(C#N)=C(N)O2 1865701849 GQIHIWOXKSEKRW-HXUWFJFHSA-N 458.871 5.173 50 10 JKGE CCc1ccc([C@@H]2C(C#N)=C(N)Oc3c2c(-c2ccc(OC)cc2)nn3Cc2cccc(Cl)c2)cc1 1865709110 NYLXPHFXHYMXOS-RUZDIDTESA-N 496.998 6.041 50 10 JKGE N#CC1=C(N)Oc2c(c(-c3ccccc3)nn2-c2cccc3ccccc23)[C@@H]1c1cccc(F)c1 1865711490 ZSDXZQJMZKMATF-RUZDIDTESA-N 458.496 6.050 50 10 JKGE Cc1ccc(C)c(Cn2nc(-c3ccccc3)c3c2OC(N)=C(C#N)[C@@H]3c2ccc(O)c([N+](=O)[O-])c2)c1 1865714010 AWTVGWYBYXBNNF-DEOSSOPVSA-N 493.523 5.047 50 10 JKGE Cc1cccc(-n2nc(C(=O)N[C@H](C(=O)Nc3ccc(SC#N)cc3)c3ccccc3)cc2C)c1 1866846349 XTBJQEALYVPVNB-VWLOTQADSA-N 481.581 5.172 50 10 JKGE CCCC[C@H](NC(=O)C[C@@H](CC(C)C)c1ccc(F)cc1)C(=O)Nc1ccc(SC#N)cc1 1867105460 VWEBQZNJKXCOLK-YKSBVNFPSA-N 469.626 6.232 50 10 JKGE CC(C)c1ccc(-c2csc(/C(C#N)=C(\O)c3ccccc3I)n2)cc1 1872752365 ZBJYYFWPUIYHCQ-JZJYNLBNSA-N 472.351 6.488 50 10 JKGE C[C@@H](/C(O)=C(\C#N)c1nc(-c2cccc3ccccc23)cs1)N1C(=O)c2ccccc2C1=O 1872752600 KQYSHQHLJISZDQ-MBSKJGAKSA-N 451.507 5.441 50 10 JKGE CCCCCCOc1ccc(/C(O)=C(\C#N)c2nc(-c3c(C)c(C)cc(C)c3C)cs2)cc1 1872754230 JCIKTUGAKKCWRK-PNHLSOANSA-N 460.643 7.953 50 10 JKGE CCN(Cc1ccccc1)c1ccc(/C=C(\C#N)c2nc(-c3cccc([N+](=O)[O-])c3)cs2)cc1 1872782552 MUACFLULLLYPEE-HZHRSRAPSA-N 466.566 6.809 50 10 JKGE BrC[C@H](Cc1ccc(I)c(Br)c1)C1CCC1 1904346799 WGGXQCKEEFSOBY-NSHDSACASA-N 457.975 5.407 50 10 JKGE FC(F)(F)C1([C@@H](Br)c2sc(Br)cc2Br)CCC1 1922883280 JNIOHTMURWNWOE-QMMMGPOBSA-N 456.947 6.442 50 10 JKGE Cc1c(Br)sc([C@H](Br)c2ccc(Cl)c(F)c2)c1Br 1922953509 DTTOAZMXJXOWST-SNVBAGLBSA-N 477.418 6.858 50 10 JKGE COc1ccc([C@H](Cl)c2c(Br)sc(Br)c2Cl)c(OC)c1 1923049854 OQJQYEPEMNQISF-JTQLQIEISA-N 461.002 6.272 50 10 JKGE Clc1c(Br)sc(Br)c1[C@H](Br)[C@]12CCCC[C@H]1CCC2 1923067464 CUXPDTZGEPKXAX-PSEJXSGSSA-N 491.514 7.723 50 10 JKGE C[C@@H]1CCC[C@@H]1[C@H](Br)c1c(Br)sc(Br)c1Br 1924581074 XDWWHJFQBSRSNT-CHKWXVPMSA-N 495.900 6.908 50 10 JKGE C[C@@H]([C@@H](Cl)c1c(Br)sc(Br)c1Br)C(C)(C)C 1924605208 NWICVMAHVLSCNG-YLWLKBPMSA-N 453.465 6.998 50 10 JKGE Cl[C@H](c1c(Br)sc(Br)c1Br)[C@@]12CCC[C@H]1OCC2 1924611926 HINFODUIDPUEPI-AKGNYGMASA-N 479.459 6.275 50 10 JKGE CCCc1ccccc1[C@@H](Cl)c1c(Br)sc(Br)c1Br 1924615113 WNLCSGQGBIFVBL-GFCCVEGCSA-N 487.482 7.316 50 10 JKGE Cc1sc(Br)cc1[C@@H](Br)c1c(Cl)sc(Cl)c1Cl 1925546987 SALDZWBNZCLOMR-SSDOTTSWSA-N 455.451 7.325 50 10 JKGE Clc1cc(Cl)cc([C@@H](Br)c2c(Cl)sc(Br)c2Cl)c1 1925588790 QJVXOAKMPHQOQG-MRVPVSSYSA-N 469.840 7.609 50 10 JKGE Clc1ccc([C@@H](Cl)c2c(Cl)sc(Br)c2Cl)c(Br)c1 1925589849 VPEVAURLQDEJIZ-MRVPVSSYSA-N 469.840 7.562 50 10 JKGE COc1sc([C@H](Br)c2cc(I)sn2)cc1Br 1983292944 NDJAHCWOTXTUCO-MRVPVSSYSA-N 494.999 5.065 50 10 JKGE COc1cc(Br)ccc1[C@H](Br)c1sc(Br)cc1C 2038506614 QAGLJHMTBPYRKH-LBPRGKRZSA-N 455.009 6.074 50 10 JKGE C[C@H](CCCCCBr)NC(=O)c1scc(Br)c1Br 2054156507 YZZGHBVTLNGRAT-MRVPVSSYSA-N 462.045 5.347 50 10 JKGE CC(C)(C)OC(=O)N1CCC(CI)(OC2CC3(CCCCC3)C2)CC1 2073138489 NDRSVOFYLPHXGS-UHFFFAOYSA-N 463.400 5.321 50 10 JKGE CCc1nc([C@H](Br)c2c(Br)sc(C)c2C)c(Br)s1 2082871427 QMLXDZJSSRNWPB-SECBINFHSA-N 474.081 6.393 50 10 JKGE Brc1csc([C@@H](Br)Cc2ccc3c(c2)CCO3)c1Br 2112342980 UMLXQWVOETYMQQ-JTQLQIEISA-N 467.020 5.887 50 10 JKGE CCc1nc([C@H](Br)c2cc(F)c(Br)cc2F)c(Br)s1 2113182436 HHRXSIGMKFQNGH-SNVBAGLBSA-N 475.978 5.993 50 10 JKGE COc1c(C)cc(Br)c(C)c1[C@@H](Cl)c1cc(I)sn1 2120031776 KNAPOLOTFWILNN-LBPRGKRZSA-N 472.573 5.464 50 10 JKGE Clc1c(Br)sc(Br)c1[C@@H](Cl)c1ccc2sncc2c1 2120655891 GRVZXSYTWCWWRD-VIFPVBQESA-N 458.027 6.864 50 10 JKGE Cc1c(Br)ccc([C@@H](Br)c2cccc(Cl)c2F)c1Br 2138853967 RLMLEZQHMKIZFM-CYBMUJFWSA-N 471.389 6.797 50 10 JKGE Fc1ccccc1[C@@H](Br)CCc1ccc(I)c(Cl)c1 2142937815 TYYJRFZFBQNBFU-LBPRGKRZSA-N 453.520 6.153 50 10 JKGE Cc1cc(Cl)ccc1COc1c(Br)cc(Br)cc1CBr 2144182943 SUQIMTJKJZHOSD-UHFFFAOYSA-N 483.425 6.647 50 10 JKGE Cc1cc(Br)c([C@H](Br)[C@]23CCCC[C@H]2CCC3)cc1Br 2149050063 CMQFFBRKZZLPEF-ZLIFDBKOSA-N 465.067 7.317 50 10 JKGE C[C@H]1C[C@@H](C)C[C@H](COc2c(Br)cc(CBr)cc2Br)C1 2149158354 CXVCPDLNGKNGII-PJXYFTJBSA-N 469.055 6.558 50 10 JKGE C[C@@]1(C2CC2)CN(c2cc(Br)cc(F)c2CBr)CCN1Cc1ccccc1 2170691847 MUKMPSBVJKTFTH-QFIPXVFZSA-N 496.262 5.974 50 10 JKGE CCc1nn(C)c([C@@H](Br)c2ccc(F)c(Br)c2F)c1Br 2192384765 KQFASNIBHXNMHC-VIFPVBQESA-N 472.953 5.270 50 10 JKGE Cn1ncc([C@H](Br)c2ccc(-c3ccccc3)s2)c1I 2206127841 JEJHISFMJFRFLC-AWEZNQCLSA-N 459.150 5.238 50 10 JKGE CC[C@@H](C(C)C)[C@H](Cl)c1sc(Br)c(Br)c1Br 2212190420 XKDBHRXBLLIKDC-RCOVLWMOSA-N 453.465 6.998 50 10 JKGE Clc1cc(Br)c([C@H](Cl)c2ccc(Br)o2)c(Cl)c1Cl 2217612603 GNOGGJRYKGBKNX-SNVBAGLBSA-N 453.772 7.093 50 10 JKGE Cc1c(Br)sc([C@H](Br)[C@H]2CC[C@H]2C(F)(F)F)c1Br 2217674186 MRAMQVSRPSMPHR-SHYZEUOFSA-N 470.974 6.606 50 10 JKGE CCOCc1cc(Br)c([C@@H](Br)c2ccsc2Br)s1 2217988254 QOBCHTDNMBYSDM-JTQLQIEISA-N 475.065 6.355 50 10 JKGE Brc1cc([C@H](Br)[C@@H]2OC[C@@H]3CCCC[C@@H]32)c(Br)s1 2218098228 HGKLNKLRTMPKCF-RJVLYZLMSA-N 459.041 5.914 50 10 JKGE Cc1sc([C@H](Br)c2cc(C3CC3)c(Br)s2)cc1Br 2218970631 UGNXDFXJECYLKY-GFCCVEGCSA-N 471.077 7.005 50 10 JKGE COc1c(C(C)C)cc(Br)cc1[C@H](Br)[C@H]1C[C@H](Br)C1 2224919033 WKGWUAMFVDIFAQ-GPCCPHFNSA-N 455.028 6.191 50 10 JKGE C[C@H]1OC2(C)CC1([C@@H](Br)c1cc(Br)c(Br)cc1F)C2 2225617562 UQPIYTWUKPKGBF-UTFHRIPTSA-N 456.975 5.744 50 10 JKGE Cc1cc(Br)c([C@H](Br)[C@@H]2C[C@@H]2CC(C)C)c(C)c1Br 2227356514 RJVLWYJAPBEWPG-HWWQOWPSSA-N 453.056 6.947 50 10 JKGE CCn1cc(Br)c([C@@H](Br)Cc2ccc(Br)cc2Cl)n1 2229144580 MAIVPOFOMAHAQI-JTQLQIEISA-N 471.418 5.760 50 10 JKGE Clc1cc(Br)c([C@@H](Br)[C@@H]2Cc3ccccc32)c(Cl)c1Cl 2232510747 ICZMTIIAAHZJCB-RNCFNFMXSA-N 455.404 7.185 50 10 JKGE Cc1cc(Br)c([C@H](Cl)c2cc(Cl)cc(Br)c2)c(C)c1Cl 2232527838 FRRGABWTOIQVCV-OAHLLOKOSA-N 457.420 7.463 50 10 JKGE CC(C)(C)OC1CC(C[C@H](Cl)c2c(Br)sc(Br)c2Cl)C1 2232951722 UFAQCRPCJCTTKC-HACHORDNSA-N 465.078 7.190 50 10 JKGE Cc1cc(C)c([C@H](Br)c2cc(Br)c(Br)cc2F)c(C)c1 2233976323 OMGFTHBXYJSPQK-MRXNPFEDSA-N 464.998 6.760 50 10 JKGE Cc1ccc([C@@H](Cl)c2c(Br)cc(C)c(Br)c2C)c(Br)c1 2235603760 KOOXEWHHRPPGAM-MRXNPFEDSA-N 481.453 7.228 50 10 JKGE O=C(c1cc(Br)c(Br)s1)N1[C@H](CBr)C[C@H]2CCCC[C@@H]21 2240764592 WRFOLBABFYYLDO-YWVKMMECSA-N 486.067 5.441 50 10 JKGE CC(C)(CBr)N(Cc1ccccc1)C(=O)c1cc(Br)c(F)cc1Cl 2249385658 ZZKYWGXNKPZONP-UHFFFAOYSA-N 477.599 6.058 50 10 JKGE Cc1ccc([C@@H](Br)c2sc(C)c(C)c2Br)cc1Br 2253473572 SMXNUEVZTYIMSX-CYBMUJFWSA-N 453.037 6.683 50 10 JKGE Fc1cc([C@H](Br)c2cc(Cl)c(Br)s2)c(Cl)cc1Br 2255969224 GHKSZPAJPOXOER-JTQLQIEISA-N 497.836 7.203 50 10 JKGE CCc1cc([C@@H](Cl)c2c(Br)cccc2Br)sc1Br 2255974660 VRMCBVHNIYATDU-GFCCVEGCSA-N 473.455 6.926 50 10 JKGE C=CC[C@]1(CBr)CCN(Cc2cc(Br)ccc2Br)C1 2272130445 DJQKZLJDIHBZBX-OAHLLOKOSA-N 452.028 5.375 50 10 JKGE Cc1c(Br)ccc([C@@H](Br)C2CC3(CC(F)C3)C2)c1Br 2272238593 NTJUTWIJJHCCQS-RZFYTTHBSA-N 455.003 6.484 50 10 JKGE COC1([C@H](Br)c2c(Br)cc(C)c(Br)c2C)CC(CF)C1 2281166578 YSFQYBKPJCRLBT-CIQACWJJSA-N 473.018 6.029 50 10 JKGE COCC1([C@@H](Br)c2ccc(OC)c(I)c2)CCCCC1 2284995524 BFXVFEMUCZDHIT-HNNXBMFYSA-N 453.158 5.333 50 10 JKGE COc1ccc([C@@H](Br)c2c(Br)cccc2Br)c(OC)c1 2287083042 MHYXVMIQVPIDCW-OAHLLOKOSA-N 464.979 5.713 50 10 JKGE C#CCOc1c(Br)cc(C=C(C#N)C(=O)Nc2cccc(Cl)c2C)cc1OCC 2294187338 AXUCXOZNCOTSNG-UHFFFAOYSA-N 473.754 5.367 50 10 JKGE COc1ccc2nc(C(C#N)=Cc3ccc(OCc4ccc(F)cc4)c(Br)c3)[nH]c2c1 2294284571 GEAKPAPXMRSRGO-UHFFFAOYSA-N 478.321 6.116 50 10 JKGE CCOc1cc(C=C(C#N)c2nc3ccc(OC)cc3[nH]2)ccc1OCc1ccc([N+](=O)[O-])cc1 2294284737 PAVXLIAHYTXOCM-UHFFFAOYSA-N 470.485 5.522 50 10 JKGE CCOc1cccc(NC(=O)C(C#N)=Cc2ccc(COc3ccc(Br)cc3)cc2)c1 2294953959 MXZCOTOVUCQGLW-UHFFFAOYSA-N 477.358 5.972 50 10 JKGE COc1cc(C)c(Cl)cc1[C@@H](Br)c1cc(Cl)ccc1I 2295379071 WTSQZZRTGZFTJZ-HNNXBMFYSA-N 485.974 6.399 50 10 JKGE N#CC(=Cc1cn(Cc2ccc(F)cc2Cl)c2ccccc12)S(=O)(=O)c1ccccc1 2295422602 KRQLMFJWBCRBNQ-UHFFFAOYSA-N 450.922 5.820 50 10 JKGE CCCCOc1ccc(-c2nn(-c3ccccc3)cc2C=C(C#N)C(=O)NCc2ccco2)cc1C 2296538180 DOGIVOVOWQNPPS-UHFFFAOYSA-N 480.568 5.843 50 10 JKGE Cc1c(C=C(C#N)c2nn(-c3ccccc3)c(N)c2C#N)c2ccccc2n1Cc1ccc(F)cc1 2297374278 IGTARQINNMHYDR-UHFFFAOYSA-N 472.527 5.841 50 10 JKGE Cc1ccc(NC(=O)C(C#N)=Cc2cc(C)n(-c3ccc(NC4CCCC4)c([N+](=O)[O-])c3)c2C)c(C)c1 2297462764 GAWJJLUMQHXDAO-UHFFFAOYSA-N 497.599 6.519 50 10 JKGE N#CC(=Cc1ccc(-c2ccc(Cl)cc2)o1)C(=O)Nc1ccc([N+](=O)[O-])cc1C(F)(F)F 2297551579 SJBCUDVQRHEMOY-UHFFFAOYSA-N 461.783 6.073 50 10 JKGE CC[C@H](CC(C)C)[C@@H](Br)c1cc(Br)ccc1OCc1ccccc1 2299501663 QDKRKPCWIRUHOC-DYESRHJHSA-N 454.246 7.536 50 10 JKGE Cc1cccc(COc2ccc(Br)cc2C=C(C#N)C(=O)Nc2ccc(C)c(C)c2)c1 2313670549 FHKAXJQNKZLXHD-UHFFFAOYSA-N 475.386 6.499 50 10 JKGE Clc1ccc(Cl)c([C@H](Cl)c2ccc(OCc3ccccc3)cc2Br)c1 2314451765 HQQJABJRLFTFCF-HXUWFJFHSA-N 456.594 7.663 50 10 JKGE Brc1cc(OCc2ccccc2)ccc1[C@@H](Br)[C@H]1CCCCC12CC2 2314501348 WMPOEAQDIAPLFI-TZIWHRDSSA-N 464.241 7.435 50 10 JKGE CCCCNC(=O)C(C#N)=Cc1ccc(OC(=O)COc2ccc(C)cc2C(C)(C)C)c(OC)c1 2314785084 DDZBOQHOEWKIAO-UHFFFAOYSA-N 478.589 5.109 50 10 JKGE CC1([C@@H](Br)c2sc(Cl)cc2I)CC(C(F)(F)F)C1 2316600720 JQVOGPSWMLLKIN-IELQSLLHSA-N 473.523 6.421 50 10 JKGE N#CC(=CNc1cc(C(F)(F)F)cc(C(F)(F)F)c1)C(=O)Nc1ccc(Cl)cc1Cl 2324494241 HNYHVYHXXWTNTO-UHFFFAOYSA-N 468.184 6.489 50 10 JKGE CCOc1cc(C=C(C#N)c2ccccc2[N+](=O)[O-])ccc1OCc1c(Cl)cccc1Cl 2331066050 GXRAAEMLZDCQCU-UHFFFAOYSA-N 469.324 6.943 50 10 JKGE COc1ccc(-c2csc(C(C#N)=C(O)CCCOc3ccc4ccccc4c3)n2)cc1OC 2331242599 RZTMTFDVVXMAGY-UHFFFAOYSA-N 472.566 6.632 50 10 JKGE N#CC(=C(O)c1ccc(N2CCOCC2)c([N+](=O)[O-])c1)c1nc(-c2ccccc2Cl)cs1 2331271575 VEQRNQRQRCSZIR-UHFFFAOYSA-N 468.922 5.158 50 10 JKGE N#CC(=C(O)CCN1C(=O)c2cccc([N+](=O)[O-])c2C1=O)c1nc(-c2cccc3ccccc23)cs1 2331339770 DPYWGLOYXYDRBD-UHFFFAOYSA-N 496.504 5.350 50 10 JKGE CC(C)[C@@H](C(O)=C(C#N)c1nc(-c2cc(Cl)ccc2Cl)cs1)N1C(=O)c2ccccc2C1=O 2331403842 JEFGONPNROHJSW-FQEVSTJZSA-N 498.391 6.230 50 10 JKGE COC12CCC([C@@H](Br)c3cc(Br)ccc3OCc3ccccc3)(CC1)C2 2336043714 HQPTUNPALHCOOO-HWELCPFYSA-N 480.240 6.813 50 10 JKGE FC1(F)CCCCC[C@@H]1[C@@H](Br)c1cc(Br)ccc1OCc1ccccc1 2336084091 QBRBXTJIJUAKDB-QUCCMNQESA-N 488.210 7.680 50 10 JKGE FC1(F)C2(CCC2)[C@]1(CBr)Cc1ccc(Cl)c(I)c1 2337227389 KDXJHXUIXKHDKG-CYBMUJFWSA-N 461.515 5.688 50 10 JKGE COc1c(Br)cc(C)c([C@@H](Br)C23CC(CO2)C3)c1Br 2339658802 LWHTUSAHHUYLPW-FEUBCLPYSA-N 454.984 5.144 50 10 JKGE COc1ccc(C)cc1[C@@H](Br)c1ccc(Cl)cc1I 2340064164 OQBBLGZFEDZALY-HNNXBMFYSA-N 451.529 5.746 50 10 JKGE C[C@@]1([C@H](Br)c2c(F)cc(Cl)c(Br)c2Cl)CCCC1(F)F 2360419477 AAWIAAMLNZVIIL-NEPJUHHUSA-N 454.939 7.157 50 10 JKGE Fc1cc(Cl)c(Br)c(Cl)c1[C@@H](Br)C(F)(F)[C@@H]1CCOC1 2360426053 ICVCYSXOESUZDY-BLTYZCFWSA-N 456.911 6.003 50 10 JKGE Fc1cc(Cl)c(Br)c(Cl)c1[C@@H](Br)C(F)(F)C1CCCC1 2360484497 SLWKWSACBAWYIF-GFCCVEGCSA-N 454.939 7.157 50 10 JKGE C[C@@H](c1ccccc1)[C@@H](Br)c1c(Cl)cc(Br)c(F)c1Br 2362224131 PMEMEJIBZUXSTQ-ISVAXAHUSA-N 485.416 7.244 50 10 JKGE C[C@@H]1O[C@H](C)[C@H]([C@H](Br)c2c(Cl)cc(Br)c(F)c2Br)[C@H]1C 2362231710 YKGXCPZDNMBQMH-NKODLTJCSA-N 493.436 6.500 50 10 JKGE Cc1cc(Br)c(F)c(Br)c1[C@H](Br)[C@H]1C[C@H]1C1CCCC1 2365195027 XUXQPCQGBJWAJN-COPLHBTASA-N 469.030 6.921 50 10 JKGE Cc1ccccc1[C@H](CBr)OCc1c(Br)cccc1Br 2366145165 OHAUUBAGPACZLJ-INIZCTEOSA-N 463.007 6.173 50 10 JKGE CC(C)(C)[C@@H]1CC[C@H](Br)[C@H](Cc2ccc(Cl)cc2I)C1 2366714539 JMSLURUTBVTTRD-NFAWXSAZSA-N 469.632 6.713 50 10 JKGE N#C/C(C(=O)Nc1ccccc1)=C1\S[C@@H](Cc2ccc(F)cc2)C(=O)N1c1ccc(Cl)cc1 1790548 FEBKCCPZRYCMSV-SCIJIFGBSA-N 477.948 5.544 50 10 JKGE COc1ccc(/C=C(\C#N)c2nc(-c3cc4c(ccc5ccccc54)oc3=O)cs2)cc1O 8682299 LTSICFNRYAYYSH-LICLKQGHSA-N 452.491 5.848 50 10 JKGE C/C(=N\NC(=O)COc1c(Cl)cc(Cl)cc1Cl)c1cccc(Br)c1 20072296 AXZSWLGPHVMUKP-ZVBGSRNCSA-N 450.547 5.329 50 10 JKGE CCCOc1ccccc1[C@H]1C(C#N)=C(N)Oc2cc(OC(=O)c3ccc(OCC(C)C)cc3)ccc21 38681641 DXKCSXVYTVWEFH-MUUNZHRXSA-N 498.579 5.948 50 10 JKGE C=CCOc1cccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)COc4cccc(Cl)c4)ccc32)c1 38684613 RFWWXWPSPQNEHZ-AREMUKBSSA-N 488.927 5.107 50 10 JKGE CCCCCOc1ccccc1[C@H]1C(C#N)=C(N)Oc2cc(OC(=O)COc3ccc(C)cc3)ccc21 38686041 DSUOLDZJZMJBCQ-GDLZYMKVSA-N 498.579 5.767 50 10 JKGE N#CC1=C(N)Oc2cc(OC(=O)c3cc4ccccc4oc3=O)ccc2[C@@H]1c1cccc2ccccc12 38688536 VMFHKKAHZCYALW-MHZLTWQESA-N 486.483 5.384 50 10 JKGE Cc1ccc(-c2ccc(/C=C(\C#N)c3nc(-c4cccc([N+](=O)[O-])c4)cs3)o2)c([N+](=O)[O-])c1 39842926 JLDFHMUSUILGCJ-LFIBNONCSA-N 458.455 6.259 50 10 JKGE Cc1c(C(=O)Oc2cccc3ccccc23)oc2c1/C(=N/NC(=O)c1ccccc1Cl)CCC2 40812738 MJDSWKWLJHWKNZ-XHLNEMQHSA-N 472.928 6.084 50 10 JKGE Cc1c(C(=O)N(Cc2ccccc2)Cc2ccccc2)oc2c1/C(=N/NC(=O)c1cccs1)CCC2 40823695 CQVJQHGVHISESL-JJKYIXSRSA-N 497.620 5.963 50 10 JKGE CCCCCCOc1ccc(/C=C(\C#N)C(=O)Nc2nc(-c3ccccc3Cl)cs2)cc1OC 40927090 TZIUNNLFZLSOCL-XMHGGMMESA-N 496.032 6.977 50 10 JKGE COC(=O)c1c(-c2ccc3c(c2)CCCC3)csc1NC(=O)/C(C#N)=C/c1ccccc1OC 41013331 CTDMPBCZCRYXRH-KGENOOAVSA-N 472.566 5.635 50 10 JKGE Cc1ccc(C)c(NC(=O)/C(C#N)=C\c2cc(Br)ccc2OCc2cccc(F)c2)c1 59201295 MQSLXOOJUPOQLD-NDENLUEZSA-N 479.349 6.330 50 10 JKGE COc1ccc(Br)cc1/C=N/NC(=O)c1ccc(-n2c(C)ccc2-c2ccccc2)cc1 59680177 NCISEHLUFFQCNI-OGLMXYFKSA-N 488.385 5.988 50 10 JKGE CCCCOc1ccc([C@H](C(=O)NC2CCCCC2)N(Cc2ccc(F)cc2)C(=O)CCl)cc1 97915102 PYDBVAHQPRCGQC-AREMUKBSSA-N 489.031 5.762 50 10 JKGE CCOc1ccc(-c2nn(-c3ccccc3)cc2/C=C2/C(=O)N(CC)C(=O)C(C#N)=C2C)cc1Cl 101332542 QNXICUNAIPZBDO-FYJGNVAPSA-N 486.959 5.204 50 10 JKGE CCOC(=O)c1c(N/C=C(\C#N)c2nc(-c3ccccc3)cs2)sc(C(=O)OC(C)(C)C)c1C 102924577 YQTXCCLFGUMVIC-GHRIWEEISA-N 495.626 6.289 50 10 JKGE N#C/C(=C/c1cc2c(cc1[N+](=O)[O-])OCO2)c1nc(-c2ccc(Br)cc2)cs1 108637187 LREXMBMAEWRXNL-ACAGNQJTSA-N 456.277 5.274 50 10 JKGE COc1ccc(Br)c(C[C@H](CBr)c2ccc(Br)cc2)c1 118851437 QIRBJJUCEJACBQ-CYBMUJFWSA-N 463.007 5.941 50 10 JKGE COc1c(C)cc(Br)c(C)c1[C@H](Br)c1ccccc1Br 125700225 BQPDIPDGIWSVBV-OAHLLOKOSA-N 463.007 6.321 50 10 JKGE CCOc1cc(Cl)c([C@H](Br)Cc2ccc(Br)cc2)cc1Cl 164567137 RVYLVGYONXGYNU-CYBMUJFWSA-N 453.001 6.833 50 10 JKGE CC(C)(C)[Si](C)(C)OCc1cc2c(cc1Br)OC(c1ccccc1)(c1ccccc1)O2 170023429 MBXTWAZWTSAVEG-UHFFFAOYSA-N 497.505 7.643 50 10 JKGE CC(C)(C)c1ccc(/C=C\C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@@H]3c2cccc(F)c2)cc1 205652647 MPNKHTBDYCUUQP-GFOJTHJDSA-N 468.528 5.960 50 10 JKGE Cl[C@H](c1cc(Br)ccc1I)c1csc2ccccc12 236038602 DUWRMKUPJUANBU-OAHLLOKOSA-N 463.565 6.597 50 10 JKGE O=C(COc1cccc2ccccc12)NN=Cc1ccc(OC(=O)c2cccc3ccccc23)cc1 254488233 KFFWQUVPENUCDB-UHFFFAOYSA-N 474.516 5.741 50 10 JKGE CCCCc1ccc(OCC(=O)NN=Cc2ccc(OC(=O)c3ccc(C)cc3)c(OC)c2)cc1 254569757 SSCMYDNHNWFUNE-UHFFFAOYSA-N 474.557 5.095 50 10 JKGE CCCOc1ccc(C(=O)NN=Cc2c(OC(=O)c3cccc(C)c3)ccc3ccccc23)cc1 254619126 JHRADNVJCBENCF-UHFFFAOYSA-N 466.537 5.920 50 10 JKGE O=C(NC[C@@H]1CCC[C@@H](CBr)C1)c1cc(Br)ccc1Br 312650882 KVXYAIYXHLHXPE-GHMZBOCLSA-N 468.027 5.143 50 10 JKGE O=C(Nc1cccc(CCCl)c1)c1cc(I)ccc1Br 313166385 QWDCMSHMARPYRC-UHFFFAOYSA-N 464.528 5.087 50 10 JKGE CN(C(=O)OC(C)(C)C)c1ccccc1[C@@H]1CCOCCN1CCO[Si](C)(C)C(C)(C)C 616597021 DWJGIAWWEKCMCS-QFIPXVFZSA-N 464.723 5.843 50 10 JKGE CC(C)(C)[Si](C)(C)OCCN1CCOC[C@@H]1c1cccc(CO[Si](C)(C)C(C)(C)C)c1 616639026 HZSNALPPURBWTE-HSZRJFAPSA-N 465.827 6.604 50 10 JKGE COCc1cc(Br)c([C@H](Br)c2c(F)cccc2Br)s1 688147475 RECJKNXJKVMZQG-GFCCVEGCSA-N 472.999 6.043 50 10 JKGE Clc1cc(Br)c(OCc2cccc(Br)c2)c(CBr)c1 708087918 FEFVYKUPGCNONW-UHFFFAOYSA-N 469.398 6.339 50 10 JKGE Fc1cc(Br)cc(CBr)c1OCc1ccc(I)cc1 715812222 JJJDHBJGSFIKMM-UHFFFAOYSA-N 499.943 5.667 50 10 JKGE CCCCCCCCCCOc1ccc(C(=O)NN=Cc2cc([N+](=O)[O-])ccc2Cl)cc1 1083993189 JJEULZYPYUZXRC-UHFFFAOYSA-N 459.974 6.532 50 10 JKGE C=CCc1cc(/C=C(\C#N)C(=O)N(C)C)cc(OCC)c1OCc1ccc(Br)cc1 1084286519 GOYDFZQUPVHSRZ-DEDYPNTBSA-N 469.379 5.150 50 10 JKGE CN(C)C(=O)/C(C#N)=C\c1cc(-c2ccccc2)n(-c2ccc(Br)cc2)c1-c1ccccc1 1084287837 LXHFDLPQLYIQBQ-QJOMJCCJSA-N 496.408 6.569 50 10 JKGE CC(=NNC(=O)c1cc2ccccc2cc1O)c1ccc2c(c1)[C@@H]1C=CC[C@@H]1[C@H](c1ccc(F)cc1)N2 1084335865 MLFADFIYXOFHJK-GVQINVNESA-N 491.566 6.665 50 10 JKGE CCOc1cc(/C=C(/C#N)C(=O)NCc2cccs2)ccc1OCc1ccc(Br)cc1 1084375662 HJZNOYZVXQQYMB-UNOMPAQXSA-N 497.414 5.712 50 10 JKGE O=C(NN=Cc1cc(-c2ccccc2)n(-c2ccc(Cl)cc2)c1-c1ccccc1)c1cccc(F)c1 1084390689 ZAYPWEBSKYCSOG-UHFFFAOYSA-N 493.969 7.368 50 10 JKGE COc1ccc(/C=C(/C#N)C(=O)Nc2ccc(C)cc2)cc1OCc1c(Cl)cccc1Cl 1084415937 DWJDTMRSOUWBED-PDGQHHTCSA-N 467.352 6.435 50 10 JKGE CCOc1ccc(C(=O)NN=Cc2ccc(OCc3cccc4ccccc34)c(OC)c2)cc1 1084563748 BXWUGAQGXUMQHN-UHFFFAOYSA-N 454.526 5.590 50 10 JKGE N#C/C(=C\c1cn(Cc2ccc3ccccc3c2)c2ccccc12)C(=O)N1CCN(c2ccccc2)CC1 1084574359 YFPGRCFHCHXIIS-SGWCAAJKSA-N 496.614 6.099 50 10 JKGE CCc1ccc(OCCCC(=O)NN=Cc2ccc(Br)cc2)c(Br)c1 1772755508 KATKJPTYRTVWTI-UHFFFAOYSA-N 468.189 5.083 50 10 JKGE CCOc1ccc(/C=C/C(=O)NCc2ccc(OC(=O)Nc3ccc(SC#N)cc3)cc2)cc1 1858909067 QJKVPOZZRZEIKO-FRKPEAEDSA-N 473.554 5.599 50 10 JKGE CCCc1nn(Cc2cc(C)ccc2C)c2c1[C@@H](c1cccc(Br)c1)C(C#N)=C(N)O2 1865683625 GJEXVQNUNXZKMX-QFIPXVFZSA-N 477.406 5.481 50 10 JKGE N#CC1=C(N)Oc2c(c(C(F)(F)F)nn2Cc2ccc(Cl)c(Cl)c2)[C@H]1c1cccs1 1865698199 MXLZJDGWTBWMAR-CQSZACIVSA-N 471.291 5.537 50 10 JKGE CCCc1nn(Cc2cccc(Cl)c2)c2c1[C@@H](c1ccc(N(CC)CC)cc1)C(C#N)=C(N)O2 1865702392 UUFXNKCVWSFSSF-DEOSSOPVSA-N 476.024 5.602 50 10 JKGE N#CC1=C(N)Oc2c(c(-c3ccccc3)nn2-c2cccc3ccccc23)[C@H]1c1ccccc1O 1865708415 WMNVRCGLAAYARQ-VWLOTQADSA-N 456.505 5.616 50 10 JKGE COc1ccc(-c2nn(Cc3ccc(Cl)cc3)c3c2[C@H](c2cccc(F)c2)C(C#N)=C(N)O3)cc1 1865710828 JKEBMABUDVUQSF-HSZRJFAPSA-N 486.934 5.618 50 10 JKGE CCCc1nn(Cc2ccccc2F)c2c1[C@H](c1ccc(Br)cc1)C(C#N)=C(N)O2 1865714505 LYNXOXRMQPFKOG-HXUWFJFHSA-N 467.342 5.004 50 10 JKGE C[C@H](c1ccccc1)N1C[C@H](/C(O)=C(\C#N)c2nc(-c3ccc(-c4ccccc4)cc3)cs2)CC1=O 1872743893 RIMGGVONBWGJID-PMLRSUPMSA-N 491.616 6.879 50 10 JKGE COc1ccccc1-c1csc(/C(C#N)=C(\O)[C@@H](CCSC)N2C(=O)c3ccccc3C2=O)n1 1872747024 KNAXWNPWNADQNM-AFHODHPKSA-N 491.594 5.029 50 10 JKGE N#C/C(=C(/O)CCCOc1ccc(Cl)cc1Cl)c1nc(-c2ccc(Cl)cc2)cs1 1872748273 QHDJDQPZCNYXFW-MNDPQUGUSA-N 465.789 7.422 50 10 JKGE Cc1cc(-c2csc(/C(C#N)=C(\O)c3ccc(N4C(=O)c5ccccc5C4=O)cc3)n2)ccc1F 1872750112 XGELOULDZULREL-FLFQWRMESA-N 481.508 6.008 50 10 JKGE CCCCc1ccc(N2C[C@@H](/C(O)=C(\C#N)c3nc(-c4c[nH]c5ccccc45)cs3)CC2=O)cc1 1872753161 JXFHZMIMYOFVRD-KRFPAQGRSA-N 482.609 6.480 50 10 JKGE COc1cc(/C=C(\C#N)c2nc(-c3ccc(F)c(C)c3)cs2)ccc1OCc1ccc(C)cc1 1872791096 VSEQTNRFSCEUQH-YDZHTSKRSA-N 470.569 7.218 50 10 JKGE COc1ccc(-c2csc(/C(C#N)=C/c3ccccc3OCc3ccc(Cl)cc3)n2)cc1F 1872792144 GZNRUYULFTXCOF-UDWIEESQSA-N 476.960 7.254 50 10 JKGE COc1ccc(-c2csc(/C(C#N)=C/c3ccccc3OCc3ccccc3Cl)n2)c(C)c1C 1872792524 DOWAZZPHKZPIEH-HYARGMPZSA-N 487.024 7.732 50 10 JKGE COc1ccc(Cl)cc1-c1csc(/C(C#N)=C/c2ccccc2OCc2ccccc2Cl)n1 1872795263 WEKJCJQQGOIQDF-XDHOZWIPSA-N 493.415 7.769 50 10 JKGE Clc1ccc(CN(CCCBr)Cc2ccccc2)cc1I 1887439403 XVZVZYJPYKXLKE-UHFFFAOYSA-N 478.599 5.732 50 10 JKGE CC(C)[C@@](C)(CBr)Cc1ccc(I)c(Br)c1 1904344486 VPLHGFMXEXPRFY-CYBMUJFWSA-N 459.991 5.653 50 10 JKGE O=C(O)[C@@H]1CN(C(=O)OCC2c3ccccc3-c3ccccc32)C[C@@H]1CCCC[C@@H]1CCSS1 1906074153 LKEQONLYQCBGPY-XLNZFTOWSA-N 497.682 6.282 50 10 JKGE Cc1cc(S(=O)(=O)N(Cc2ccccc2)[C@@H](CCl)C(C)C)sc1Br 1915276848 VHRDEGPINFQEQL-HNNXBMFYSA-N 450.851 5.273 50 10 JKGE BrCC1(N(CCOc2cccc(Br)c2)Cc2ccccc2)CCC1 1915741290 LSBHBQHVXQWRJP-UHFFFAOYSA-N 453.218 5.648 50 10 JKGE C[C@H]1CN(Cc2ccccc2)C[C@@H](C)CN1c1ccc(CBr)cc1Br 1921466052 QJBADLWTDZIFNS-SJORKVTESA-N 466.261 5.691 50 10 JKGE Cc1c(Br)sc([C@@H](Br)[C@H](C)CC(F)(F)F)c1Br 1922894476 LMUXDBJKLZYZHR-XINAWCOVSA-N 458.963 6.606 50 10 JKGE COc1csc([C@@H](Br)c2c(Br)sc(Br)c2Cl)c1 1923047746 CRTRKZOVWUPDMX-SSDOTTSWSA-N 481.456 6.481 50 10 JKGE Clc1cc([C@H](Cl)Cc2ccncc2Br)ccc1I 1924046641 CJGGXWOVRVEUNT-LLVKDONJSA-N 456.936 5.625 50 10 JKGE C[C@@H]1CC([C@H](Cl)c2c(Br)sc(Br)c2Br)C[C@@H](C)O1 1924612637 CPNRYUJMKSTNTG-DGAHNEANSA-N 481.475 6.519 50 10 JKGE COc1cscc1[C@@H](Br)c1c(Br)sc(Br)c1Cl 1950314851 LDEDQDUONXABSI-SSDOTTSWSA-N 481.456 6.481 50 10 JKGE Cc1c(Br)sc([C@H](Br)[C@@H]2C[C@H]2C(F)(F)F)c1Br 1950753231 BEOIHXMMSJMTNG-WYDQCIBASA-N 456.947 6.216 50 10 JKGE CC1(C)CCC[C@H]([C@H](Br)c2cc(Br)sc2Br)CC1 2039364435 XUWIHNQKKDPFNX-CABZTGNLSA-N 459.085 7.316 50 10 JKGE C=C(C)[C@H](CC[C@](C)(O)[C@@H]1CC[C@]2(C)[C@@H]1CC[C@@H]1[C@](C)(CCC(=O)O)[C@@H](C(=C)C)CC[C@]12C)OO 2069577918 OMFAFUDUOLRUGX-OXGJKDTLSA-N 490.725 7.258 50 10 JKGE CCN(C[C@](C)(CBr)OCc1ccc(F)cc1Br)C(=O)OC(C)(C)C 2085376136 OSYYERAHQBAGHY-SFHVURJKSA-N 483.216 5.515 50 10 JKGE FC1(F)CCN(Cc2cccc(Br)c2Br)C[C@@H]1CBr 2092329270 UPCJMNKAUDGQQM-JTQLQIEISA-N 461.970 5.064 50 10 JKGE Clc1ccc(C[C@@H](Br)c2c(Br)cccc2Br)cc1Cl 2094097640 DULZJIAMZXCXTL-LLVKDONJSA-N 487.844 7.197 50 10 JKGE C[C@H]1CCO[C@@H]1CC(CBr)(CBr)c1ccc(Br)cc1 2096130851 YQLGNCDLENLZRZ-SMDDNHRTSA-N 455.028 5.292 50 10 JKGE Brc1cccc(Br)c1CN1C[C@H](Br)C2(CCCC2)C1 2117736575 QQRLJSROXHOJNH-AWEZNQCLSA-N 452.028 5.351 50 10 JKGE FCCOc1ccccc1[C@H](Br)c1sc(Br)cc1Br 2132981259 MIANOAZFGFREIT-LBPRGKRZSA-N 472.999 6.106 50 10 JKGE Cc1cc(Br)c(C)c([C@@H](Br)c2c(C)coc2C)c1Br 2136374037 IJDDBAPHHPUFOF-HNNXBMFYSA-N 450.996 6.523 50 10 JKGE Cc1cc(Br)c(C)c([C@H](Br)[C@@H]2C[C@@H]2CC(C)C)c1Br 2136384889 VMWLBLMFRDSDSV-HWWQOWPSSA-N 453.056 6.947 50 10 JKGE CN(Cc1cccc(Br)c1Br)C1(CBr)CC2(CCC2)C1 2164564900 MDKNDLIFRWUAGO-UHFFFAOYSA-N 466.055 5.741 50 10 JKGE Cn1ncc(CC(CBr)(CBr)C2CCCCCC2)c1Br 2173257924 MUGLBJLZZROYCN-UHFFFAOYSA-N 471.075 5.472 50 10 JKGE Cc1ccc(S(=O)(=O)N(Cc2ccccc2)[C@H](C)c2cccs2)cc1CBr 2179789198 NOVMZMKSQSQMKC-QGZVFWFLSA-N 464.450 5.904 50 10 JKGE ClCc1ccc(Br)c(Cl)c1N1CC[C@@H]2OCCN(Cc3ccccc3)[C@H]2C1 2185516828 SSWAHZIMNXMHBQ-OALUTQOASA-N 470.238 5.321 50 10 JKGE FC1(F)CC2(C[C@@H]2[C@H](Br)c2cc(I)cc3c2OCC3)C1 2189396186 VFKLTGPJTJKPDE-VXGBXAGGSA-N 455.080 5.098 50 10 JKGE Cn1nc([C@H](Br)c2c(Br)cc(F)c(Cl)c2F)c(Cl)c1Cl 2201613666 KGSNNLQNICZYBE-ZCFIWIBFSA-N 469.338 5.905 50 10 JKGE COc1c(Br)cc(C)cc1[C@@H](Cl)c1c(Br)cccc1Br 2203829810 LTCLOFXTGZXTIB-CQSZACIVSA-N 483.425 6.619 50 10 JKGE CCC[C@H]1CN(C(=O)c2cccc(Br)c2Br)C[C@@H]1CBr 2205683249 MWMBSTFUZMHMHS-QWRGUYRKSA-N 468.027 5.095 50 10 JKGE Fc1cc(Br)c(Br)cc1[C@@H](Cl)c1ccsc1Br 2213491489 FNZWZXFFGRZCKB-JTQLQIEISA-N 463.391 6.503 50 10 JKGE Fc1cc(Br)c(Br)cc1[C@H](Br)C[C@@H]1CCC12CCC2 2225619523 KGBUPJVDTWRLNH-GXSJLCMTSA-N 455.003 6.757 50 10 JKGE Fc1ccccc1C(CBr)(CBr)Cc1ncsc1Br 2226134124 OIZOKJCBKFTZQZ-UHFFFAOYSA-N 472.015 5.315 50 10 JKGE Cc1cc(Br)c([C@H](Br)C(C)(C)C(C)(C)C)c(C)c1Br 2227346218 CHPIPVNEIQWYJJ-AWEZNQCLSA-N 455.072 7.337 50 10 JKGE Clc1ccc(I)c(CN2CC[C@@H]3[C@@H](Br)CCC[C@@H]3C2)c1 2233841750 DFICFYIVGAYRFG-UGFHNGPFSA-N 468.604 5.330 50 10 JKGE Fc1cc(Br)c(Br)cc1[C@@H](Br)c1cc2c(s1)CCCC2 2233974031 CPTXCCFKJJPORM-OAHLLOKOSA-N 483.038 6.775 50 10 JKGE Fc1cc(Br)c(Br)cc1[C@H](Br)[C@H]1C[C@@H]1c1ccccc1 2233976020 NBTVAEDZOHJYKV-OHUAYANFSA-N 462.982 6.590 50 10 JKGE Fc1cc(Br)c(Br)cc1[C@H](Br)c1ccc2c(c1)CCC2 2233976777 PYWFXJSJECJUGD-MRXNPFEDSA-N 462.982 6.324 50 10 JKGE Cc1cc(Br)c([C@H](Br)[C@H]2CCCC(C)(C)O2)c(C)c1Br 2235615947 WQVKWPOKHPEPMV-IUODEOHRSA-N 469.055 6.612 50 10 JKGE Cc1cccc([C@H](Br)c2ccc([C@H]3CCOC3)s2)c1I 2240431736 LWZGWGVYWSZTNG-NHYWBVRUSA-N 463.178 5.649 50 10 JKGE Brc1cccc([C@H](Br)c2ccc([C@H]3CCOC3)s2)c1Br 2240435001 VOAUTFWHEYOQON-VFZGTOFNSA-N 481.047 6.261 50 10 JKGE CC(C)(C)OC(=O)NCCSSCCN[C@@H]1C[C@@H]2CCCC[C@@H]2N(C(=O)OC(C)(C)C)C1 2253789105 CAFZPPFTXLLZPY-OTWHNJEPSA-N 489.748 5.050 50 10 JKGE CCc1cc([C@@H](Br)c2cccc(Br)c2F)sc1Br 2256059866 WNAIZRIMPWPXCY-NSHDSACASA-N 457.000 6.459 50 10 JKGE Cc1cc(Br)c([C@H](Cl)c2cccc(I)c2)c(C)c1F 2264477181 WKLINMSCFJBEFF-CQSZACIVSA-N 453.520 6.138 50 10 JKGE CCOc1ccc([C@H](Br)c2scc(Br)c2Cl)cc1Br 2264607076 IHSUJMWIEYJUBM-NSHDSACASA-N 489.454 6.810 50 10 JKGE Cc1cc(Br)c(C)c([C@H](Br)[C@H]2CCC23CCC3)c1Br 2266138066 HYYNIVUAZOBSBH-IAQYHMDHSA-N 451.040 6.845 50 10 JKGE COc1cccc([C@@H](Br)c2c(Cl)sc(Br)c2Cl)c1Cl 2268255467 NIYCEZWCAJNSLN-MRVPVSSYSA-N 465.421 6.964 50 10 JKGE COc1ccc([C@@H](Br)c2csc(C)c2OC)cc1I 2271694382 MXSPPHDFYGLJFK-CYBMUJFWSA-N 453.139 5.163 50 10 JKGE Cc1cc(Br)c([C@H](Br)[C@]23COC[C@H](C2)C3)c(C)c1Br 2273077239 DYIHTYHDZAHYGB-LKTVYLICSA-N 453.012 5.691 50 10 JKGE COc1ccc([C@H](Br)c2sccc2I)c(OC)c1C 2277979622 AASMLHUEIRMQHO-LBPRGKRZSA-N 453.139 5.163 50 10 JKGE Cc1cc(Cl)c(Br)cc1[C@H](Cl)c1cc(F)c(Br)cc1Cl 2282906857 HMXFMUBTCXMNNI-AWEZNQCLSA-N 461.383 7.294 50 10 JKGE COc1ccc([C@H](Cl)c2ccc(Br)cc2I)c(OC)c1 2287084663 BLBRMGWIVRMMNY-OAHLLOKOSA-N 467.528 5.399 50 10 JKGE C=CC[C@]1(CBr)CCCCN1C(=O)c1cc(Br)sc1Br 2287752552 NHWOMIZHQRYQOL-CQSZACIVSA-N 486.067 5.609 50 10 JKGE Cn1cnc2sc([C@@H](Br)Cc3cc(Br)cc(Br)c3)cc21 2295330573 XDCGCZFZVRISAU-NSHDSACASA-N 479.035 5.839 50 10 JKGE Cc1cc2sc([C@@H](Br)c3cc4sc(Br)cc4s3)cc2s1 2295516534 HLJSKUPXUCLRPM-CQSZACIVSA-N 464.294 7.794 50 10 JKGE Cc1ccc(NC(SCc2c(F)cccc2Cl)=C(C#N)S(=O)(=O)c2ccccc2)cc1C 2297349957 HFNHMXMXUPGGLD-UHFFFAOYSA-N 487.021 6.608 50 10 JKGE COC(=O)c1ccc(COc2ccccc2C=C(C#N)C(=O)Nc2c(C)cc(C)cc2C)cc1 2297388131 ZXYLDMQCXNEDFR-UHFFFAOYSA-N 454.526 5.523 50 10 JKGE Brc1ccc(OCc2ccccc2)c([C@H](Br)[C@@H]2[C@@H]3CCOC[C@H]32)c1 2299501867 RNMSNLQXHRHQLT-QOJCHSLYSA-N 452.186 5.747 50 10 JKGE CCN[C@H](c1ccc(OCc2ccccc2)cc1Br)[C@H]1C[C@@H](Br)C1 2299522740 NCBCDVJDONGJKH-YRNRMSPPSA-N 453.218 5.852 50 10 JKGE Cc1scc([C@@H](Br)c2c(Cl)sc(Cl)c2Cl)c1Br 2303644512 RSZVRNLZEBNKDJ-SSDOTTSWSA-N 455.451 7.325 50 10 JKGE Cc1cccc(NC(=O)C(C#N)=Cc2cc(Br)c(Sc3ccc(Cl)cc3)o2)c1C 2313562535 UZCQANUNFWJUPS-UHFFFAOYSA-N 487.806 7.009 50 10 JKGE Fc1cc(Cl)c(Br)c(Cl)c1[C@H](Cl)c1ncsc1Br 2313745922 PDWFERGGMLBNLW-QMMMGPOBSA-N 454.373 6.442 50 10 JKGE CC(C)(C1CCCC1)[C@H](Br)c1ccc(OCc2ccccc2)cc1Br 2314453964 AWVOWPKGLFLHJB-OAQYLSRUSA-N 466.257 7.681 50 10 JKGE Cn1nc([C@H](Cl)c2cc(Br)ccc2OCc2ccccc2)c(Cl)c1Cl 2314456182 UYKXTWULQXLCMD-OAHLLOKOSA-N 460.586 6.397 50 10 JKGE Cc1c(Cl)sc(Cl)c1[C@@H](Br)c1nn(C)c(Cl)c1Br 2314526905 ZCISIGHASMBOPS-RXMQYKEDSA-N 453.414 5.997 50 10 JKGE COc1ccc(-c2nn(-c3ccccc3)cc2C=C2C(=O)N(CC(C)C)C(=O)C(C#N)=C2C)cc1C 2314611555 XDITYABHIFNPRI-UHFFFAOYSA-N 480.568 5.105 50 10 JKGE Cc1ccc(C=CC(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@@H]3c2c(Cl)cccc2Cl)cc1 2314634342 GAEFVMPIHGIVQJ-XMMPIXPASA-N 477.347 6.139 50 10 JKGE CCN[C@H](c1c(Cl)cc(Br)c(F)c1Br)[C@H]1C[C@@H]1Br 2315458560 NZTSWTVJACPWRP-WPOIXZHQSA-N 464.398 5.438 50 10 JKGE COc1cc([C@@H](Br)c2ccc(Br)cc2Br)sc1Cl 2317954757 GSDGXVLWZUZMOA-NSHDSACASA-N 475.427 6.419 50 10 JKGE Cc1cc(I)ccc1NC=C(C#N)C(=O)N[C@@H](C)C12CC3CC(CC(C3)C1)C2 2324900483 YWCXVCODGPDWCK-SCUMNGBJSA-N 489.401 5.140 50 10 JKGE N#CC(=CNCc1ccccc1Br)C(=O)Nc1ccccc1Sc1ccccc1 2325339675 IFOBICJYALDVNA-UHFFFAOYSA-N 464.388 5.736 50 10 JKGE FC1(F)CCC[C@@H]2[C@@H]([C@@H](Br)c3c(Br)sc(Br)c3Cl)[C@@H]21 2330159897 FSMRDGZWWJCEQU-SJNFNFGESA-N 499.440 7.044 50 10 JKGE CCOc1cc(C=C(C#N)c2nc(O)c3ccc(C(=O)OC)cc3n2)ccc1OCc1ccc(F)cc1 2331046451 YZFUVLXLHHYGDZ-UHFFFAOYSA-N 499.498 5.303 50 10 JKGE Cc1cc(-c2csc(C(C#N)=C(O)C(=Cc3ccc(OC(C)C)cc3)c3ccccc3)n2)ccc1F 2331320500 XPJKJGUZQJRQQP-UHFFFAOYSA-N 496.607 8.078 50 10 JKGE C[C@@H](Oc1ccc(Cl)cc1Cl)C(O)=C(C#N)c1nc(-c2ccc3c(c2)OCO3)cs1 2331334700 CFNYRBDXALGVHA-LLVKDONJSA-N 461.326 6.106 50 10 JKGE CCOc1ccc(OCC)c(-c2csc(C(C#N)=C(O)c3cc(OC)cc(OC)c3)n2)c1 2331376270 SISVNMQLHREJQL-UHFFFAOYSA-N 452.532 5.575 50 10 JKGE COc1ccc(-c2csc(C(C#N)=C(O)COc3cc(Cl)ccc3Cl)n2)c(OC)c1OC 2331412814 JUIKLHWIVYCREZ-UHFFFAOYSA-N 493.368 6.014 50 10 JKGE Cc1nc([C@H](Cl)c2c(F)cc(Cl)c(Br)c2Cl)c(Br)s1 2335355534 IECSJMXBQRDBAE-SECBINFHSA-N 468.400 6.751 50 10 JKGE Cc1cc(I)c(Oc2ccc(CBr)cc2C)cc1Cl 2336552337 VDRZILLWDSQTTI-UHFFFAOYSA-N 451.529 6.249 50 10 JKGE Cn1cc(Cl)c([C@@H](Br)c2c(Cl)cc(Br)c(F)c2Br)n1 2337084948 RQSVPGKRLNBIPH-VIFPVBQESA-N 495.799 5.875 50 10 JKGE Fc1c(Br)cc(Cl)c([C@H](Br)CC2CC(F)(F)C2)c1Br 2337090802 RPZFXJUPGJULNY-ZCFIWIBFSA-N 485.363 6.876 50 10 JKGE COc1ccc([C@@H](Br)c2c(Br)ncn2C)c(Br)c1Cl 2337318184 XIQPGXQDPBWKFP-SECBINFHSA-N 473.390 5.091 50 10 JKGE Cc1c(F)ccc(CO[C@]2(CBr)CCCN(C(=O)OC(C)(C)C)C2)c1Cl 2339294876 DPNWYBCEXJJLRE-IBGZPJMESA-N 450.776 5.469 50 10 JKGE FC1(F)C2(CCC2)[C@@]1(CBr)Cc1ccc(Cl)cc1I 2341030606 RPXQEHKWRHETHM-ZDUSSCGKSA-N 461.515 5.688 50 10 JKGE CC(C)CC(CC(C)C)O[C@@H](CI)c1ccccc1Br 2360347655 WHYMZJVLVLIGKQ-KRWDZBQOSA-N 453.202 6.403 50 10 JKGE Fc1cc(Cl)c(Br)c(Cl)c1[C@@H](Br)C[C@@H]1C[C@H]1C(F)(F)F 2360483591 KHWJKDXRMWGEQL-JKUQZMGJSA-N 458.902 6.920 50 10 JKGE Cc1cc(Br)c([C@H](Br)c2cc(F)c(F)cc2F)cc1Br 2361242698 PQKVNSWQMZSVJV-AWEZNQCLSA-N 472.924 6.422 50 10 JKGE CCCCO[C@@H]1[C@H](Br)C[C@H]1Oc1cc(Cl)c(C)cc1I 2361703699 OGBICQCQHJITMZ-VCTAVGKDSA-N 473.576 5.353 50 10 JKGE C[C@H]1O[C@@]2([C@@H](Br)c3c(Cl)cc(Br)c(F)c3Br)CC[C@H]1C2 2362233372 ZRQCHVATWDMAPV-ZNNYPSHMSA-N 491.420 6.398 50 10 JKGE COc1c([C@H](Br)c2cnsc2Br)cc(Br)c2c1CCC2 2362471588 WLQDMTPMUOSALZ-LBPRGKRZSA-N 482.035 5.650 50 10 JKGE CC(C)[C@H](CBr)CN1CC[C@@H](CCNC(=O)OC(C)(C)C)C[C@@H]1C(F)(F)F 2362788891 MOCCVMCUGZOAQL-BZUAXINKSA-N 459.391 5.211 50 10 JKGE Cc1cc(Br)c(F)c(Br)c1[C@@H](Br)[C@@H]1C[C@H](C)O[C@H](C)C1 2365219402 QJZLLDPVDHJGSK-WTBMIXGQSA-N 473.018 6.299 50 10 JKGE C[C@@H](Oc1ccc(-c2ccccc2)cc1)C(=O)NNC(=O)c1ccc(OCc2ccccc2)cc1 14038820 QOSHLEGUVZVBIQ-OAQYLSRUSA-N 466.537 5.161 50 10 JKGE Cc1ccc(C(=O)COc2ccc(/C=C(/C#N)c3nc(-c4ccc5c(c4)OCO5)cs3)cc2)cc1 33470782 YMHGWRIJOFBSTK-UUYOSTAYSA-N 480.545 6.173 50 10 JKGE N#C/C(=C\c1ccc(-c2ccc(C(=O)O)cc2)o1)c1nc(-c2cc3ccccc3oc2=O)cs1 35518433 YONFTVAXHARZLE-WOJGMQOQSA-N 466.474 5.939 50 10 JKGE N#C/C(=C\c1ccc(-c2cccc(Cl)c2Cl)o1)C(=O)Nc1cc(Cl)ccc1Cl 38206781 MLWAWRDCQAMAML-DHZHZOJOSA-N 452.124 7.106 50 10 JKGE N#CC1=C(N)Oc2cc(OC(=O)c3cccc4ccccc34)ccc2[C@@H]1c1ccc(Cl)cc1 38651380 KANZWYMBQHFQNR-VWLOTQADSA-N 452.897 5.931 50 10 JKGE CCCCCOc1ccccc1[C@@H]1C(C#N)=C(N)Oc2cc(OC(=O)c3cccc(Cl)c3)ccc21 38686187 VBNCFJLZNCTCIW-SANMLTNESA-N 488.971 6.346 50 10 JKGE Cc1ccc2nc(N(/N=C/c3ccc([N+](=O)[O-])s3)C(=O)c3cc(Cl)sc3Cl)sc2c1 39714471 NDARAMKMCLXUPQ-ODCIPOBUSA-N 497.410 6.624 50 10 JKGE Cc1c(C(=O)Nc2ccc(Oc3ccccc3)cc2)oc2c1/C(=N/NC(=O)c1ccco1)CCC2 40814391 PNYYUSJTIWCBPQ-XHLNEMQHSA-N 469.497 5.696 50 10 JKGE COc1cc(/C=N/NC(=O)CSc2ccc(C)cc2)ccc1OCc1ccccc1Cl 40961798 FGCVMPCLNPSYCY-VULFUBBASA-N 454.979 5.478 50 10 JKGE Brc1ccc(O[C@@H]2C[C@H](Br)C23CCCCCC3)c(Br)c1 97647296 MSOYFOBZJZMKAG-LSDHHAIUSA-N 467.039 6.467 50 10 JKGE COc1cccc([C@@H](C(=O)NC2CCCCC2)N(Cc2ccccc2Cl)C(=O)CCl)c1 97915125 XIFKIHRGMVOYME-QHCPKHFHSA-N 463.405 5.106 50 10 JKGE O=C(N/N=C1/C(=O)N(Cc2ccccc2)c2ccccc21)[C@H]1CC1(c1ccccc1)c1ccccc1 100433932 SIRSNMAMAJZOKG-JSNJZMANSA-N 471.560 5.060 50 10 JKGE CCCCCCCCOc1ccc(/C=C2/C(=O)N([C@H](C)CC)C(=O)C(C#N)=C2C)cc1OC 101334547 GINMTCLIUQVUJZ-NDWLXSOOSA-N 452.595 5.825 50 10 JKGE CC1=C(C#N)C(=O)N(CCc2ccccc2)C(=O)/C1=C/c1cn(-c2ccccc2)nc1-c1ccccc1 101338012 XHIWPGBNIKGEGB-ZXVVBBHZSA-N 484.559 5.374 50 10 JKGE Fc1cc(Br)ccc1[C@@H](Cl)c1cc(Br)sc1Br 109825395 MBXXSOFGALDXQG-SNVBAGLBSA-N 463.391 6.503 50 10 JKGE BrCC(CBr)(CCOc1ccccc1)c1ccccc1Br 118878966 KBFGTXQRWHDWEJ-UHFFFAOYSA-N 477.034 5.946 50 10 JKGE Fc1cc(Br)cc(F)c1[C@H](Cl)c1cc(Br)sc1Br 122326074 KBZSKPHPAXBPND-SNVBAGLBSA-N 481.381 6.642 50 10 JKGE COc1ccc(Br)cc1[C@H](Br)c1csc(I)c1 123457670 ZLFUORXPKRRCEH-GFCCVEGCSA-N 487.982 5.608 50 10 JKGE COc1cc(Cl)c([C@H](Cl)c2cc(Br)c(Br)s2)cc1OC 128543727 ZEQAGKUSELCAMX-LBPRGKRZSA-N 461.002 6.272 50 10 JKGE COc1cc([C@@H](Br)c2cccc(F)c2Br)c(OC)cc1Br 134297975 RTPQVTVZLSLQMP-AWEZNQCLSA-N 482.969 5.852 50 10 JKGE Brc1cccc([C@@H](CI)O[C@H]2CCCc3ccccc32)c1 162078772 NRHVYYFNCXJZCC-ZWKOTPCHSA-N 457.149 6.019 50 10 JKGE Clc1ccccc1[C@@H](CI)OCc1cccc(Br)c1 162547924 VMCOZDGXHHECEW-OAHLLOKOSA-N 451.529 5.795 50 10 JKGE Brc1cc([C@H](Br)[C@@H]2[C@@H]3CCc4ccccc4[C@H]32)c(Br)s1 227470783 ITXOQDMHUAKBGJ-QZKOUSHUSA-N 477.059 6.685 50 10 JKGE CC(=NNC(=O)c1cccs1)c1ccc(NC(=O)COc2ccc(Cl)cc2Cl)cc1 252637203 XQCZTMMCDAQFHS-UHFFFAOYSA-N 462.358 5.226 50 10 JKGE aggregator C[C@@H]1C[C@@H](O[C@H](CI)c2cccc(Br)c2)CC(C)(C)C1 253127947 MRTMDBUBKFUAFB-DAXOMENPSA-N 451.186 6.157 50 10 JKGE O=C(CSc1nnc(SCc2cccc3ccccc23)s1)NN=C/C=C/c1ccco1 254498172 OXDZZYGZTKSWKG-FPIORGHWSA-N 466.613 5.484 50 10 JKGE CC(C)(C)c1cc(SCC(=O)NN=Cc2c[nH]c3c(C(=O)O)cccc23)cc(C(C)(C)C)c1O 254520616 QARACFABNJQOLQ-UHFFFAOYSA-N 481.618 5.409 50 10 JKGE CCCCCCCCOc1ccc(-c2cc(C(=O)NN=Cc3c(O)ccc4ccccc34)[nH]n2)cc1 254765377 KKGMZUHCZDTIII-UHFFFAOYSA-N 484.600 6.439 50 10 JKGE CC[C@@H](C)c1ccc(OCC(=O)NN=Cc2c(C)n(Cc3ccccc3)c3ccccc23)cc1 254819744 UZXGJEQPGUJEJN-OAQYLSRUSA-N 453.586 6.041 50 10 JKGE CCCCCC1=CCCC1=NNC(=O)c1ccc(COc2ccccc2-c2ccccc2)cc1 254835599 HCTFAISXYYXFHO-UHFFFAOYSA-N 452.598 7.319 50 10 JKGE C[C@H](Cl)c1nc2cc(I)c(F)cc2n1[C@]1(C)CCN(Cc2ccccc2)C1 405974917 XBJSYOLUOIRVRO-LHSJRXKWSA-N 497.783 5.701 50 10 JKGE COC(=O)C[C@@H](N[S@@](=O)c1ccc(C)cc1)c1ccc(O[Si](C(C)C)(C(C)C)C(C)C)cc1 504041312 ZRVAKTGXXKFANC-GOXGLGGOSA-N 489.754 6.466 50 10 JKGE BrCc1c(Br)cccc1N1CCCc2cccc(Br)c21 713309361 UYRRMMWBAHTFMW-UHFFFAOYSA-N 460.007 6.191 50 10 JKGE CCn1c(SCCCC(=O)NN=C(C)c2ccc(Br)cc2)nc2ccccc21 1083890486 QCHKXULYHWHPJP-UHFFFAOYSA-N 459.413 5.231 50 10 JKGE COc1cc(C=NNC(=O)c2cccc(-n3c(C)ccc3C)c2)ccc1OCc1cccc(C(=O)O)c1 1084101019 NMEGTZCLZNPMKK-UHFFFAOYSA-N 497.551 5.144 50 10 JKGE Cc1ccccc1-n1c(C)cc(C=NNC(=O)CSCc2cccc(Br)c2)c1C 1084285941 BQGARZJQDQITHH-UHFFFAOYSA-N 470.436 5.549 50 10 JKGE CCCCCCCC(=O)NN=Cc1ccc(Sc2nnc(-c3ccccc3)n2-c2ccccc2)o1 1084334474 HEZIACKWLPSBOT-UHFFFAOYSA-N 487.629 6.489 50 10 JKGE CCOc1ccc([C@H](O)CCC(=O)NN=Cc2ccc(OCc3cccc(C)c3)c(OCC)c2)cc1 1084436379 PMJPGHWDZLAPOG-AREMUKBSSA-N 490.600 5.335 50 10 JKGE COc1ccc(C(C)=NNC(=O)c2ccc(CSc3ccccc3)cc2)cc1Br 1084493032 FWOOQQISUQQRKO-UHFFFAOYSA-N 469.404 5.904 50 10 JKGE COc1ccc2c(c1)C(=NNC(=O)c1cc(-c3ccccc3)nc3ccccc13)C(=O)N2CC(C)C 1772720247 GORNMSRBWGVZGN-UHFFFAOYSA-N 478.552 5.047 50 10 JKGE COc1ccc(-c2nn(-c3cccc4ccccc34)c3c2[C@@H](c2ccccc2F)C(C#N)=C(N)O3)cc1 1865684480 ZCFAFPIJFIMYKK-SANMLTNESA-N 488.522 6.058 50 10 JKGE COc1ccc(-c2nn(-c3ccc(C)cc3)c3c2[C@@H](c2ccccc2Cl)C(C#N)=C(N)O3)cc1 1865685492 JQVKRWPHAUFFDH-QHCPKHFHSA-N 468.944 5.728 50 10 JKGE CCCCOc1ccc([C@H]2C(C#N)=C(N)Oc3c2c(CC)nn3Cc2ccccc2Cl)cc1OC 1865697178 ORRYTPYLDVSWJC-DEOSSOPVSA-N 493.007 5.553 50 10 JKGE COc1ccc(-c2nn(-c3cccc(Cl)c3)c3c2[C@@H](c2cccs2)C(C#N)=C(N)O3)cc1 1865697801 CCHVSOFSVJKKDA-HXUWFJFHSA-N 460.946 5.481 50 10 JKGE CCc1nn(-c2cccc(Cl)c2)c2c1[C@H](c1ccc(OCc3ccccc3C)cc1)C(C#N)=C(N)O2 1865702790 FKKTVOXHXDSJOC-AREMUKBSSA-N 496.998 6.194 50 10 JKGE Cc1nc(-c2ccc(Cl)c(Cl)c2)ccc1C(=O)NNC(=O)c1ccc(Cl)cc1F 1865759321 UGJMDUWQUIDOKG-UHFFFAOYSA-N 452.700 5.231 50 10 JKGE Cc1nc(-c2ccc(Cl)cc2Cl)ccc1C(=O)NNC(=O)c1cccc(Br)c1 1865759755 QKNOTWPTKVYVES-UHFFFAOYSA-N 479.161 5.201 50 10 JKGE CCCC[C@@H](NC(=O)Cc1nc(-c2ccc(C)cc2)oc1C)C(=O)Nc1ccc(SC#N)cc1 1866651004 DAIHYUGNRBZVQX-JOCHJYFZSA-N 476.602 5.388 50 10 JKGE N#CSc1ccc(NC(=O)[C@@H](Cc2ccc(F)cc2)NC(=O)c2cc(-c3ccccc3)on2)cc1 1866823122 PBYZZVQYDVCEPM-JOCHJYFZSA-N 486.528 5.034 50 10 JKGE C[C@H](/C(O)=C(\C#N)c1nc(-c2cccc(Br)c2)cs1)N1C(=O)c2ccccc2C1=O 1872745812 DSJROFWJYKFHKM-JFLJVCDGSA-N 480.343 5.050 50 10 JKGE COc1c(C)cc(Cl)cc1-c1csc(/C(C#N)=C(\O)[C@@H]2CC(=O)N([C@H](C)c3ccccc3)C2)n1 1872757190 UDSHSPCUBCCKID-MWTYRCFYSA-N 494.016 6.183 50 10 JKGE COc1cc(/C=C/C(O)=C(\C#N)c2nc(-c3cc(C)ccc3OC)cs2)ccc1OC(C)=O 1873920257 BEZBRJWVHFCVNS-QJGFGJJLSA-N 462.527 5.567 50 10 JKGE CCCCc1ccc(N2C[C@@H](/C(O)=C(\C#N)c3nc(-c4cc(C)ccc4OC)cs3)CC2=O)cc1 1873920925 MRHWDPMGTDMDRW-XSMOSBQLSA-N 487.625 6.316 50 10 JKGE Brc1cc(Br)cc(CO[C@H]2CCC[C@H]2I)c1 1900372135 IDAUVPORXFIGQZ-NEPJUHHUSA-N 459.947 5.084 50 10 JKGE C[C@@H]1[C@H](Br)CC[C@@H]1Cc1ccc(I)c(Br)c1 1904330491 VRRXIOBIACPPNT-JMJZKYOTSA-N 457.975 5.406 50 10 JKGE Cc1sc(C)c(S(=O)(=O)N(Cc2ccccc2)[C@H](C)CBr)c1Br 1914351248 SUAKVRCOZCSATO-LLVKDONJSA-N 481.275 5.102 50 10 JKGE CC[C@@H](Br)CN(Cc1ccccc1)S(=O)(=O)c1ccc(Cl)c(C(F)(F)F)c1 1915088043 FAWKMYZCPVORAV-CQSZACIVSA-N 484.765 5.723 50 10 JKGE CC(C)[C@H](CBr)N(Cc1ccccc1)C(=O)c1cc(Br)ccc1O 1915297815 LNEDVDCNODVTDJ-KRWDZBQOSA-N 455.190 5.217 50 10 JKGE CC(C)[C@@H](CBr)N(Cc1ccccc1)c1ccc(I)cn1 1915329585 RWELFQDZIQBKIU-MRXNPFEDSA-N 459.169 5.112 50 10 JKGE O=S(=O)(c1sccc1Br)N(Cc1ccccc1)C1(CBr)CCC1 1915774051 NBSKKPDMMOCHJW-UHFFFAOYSA-N 479.259 5.019 50 10 JKGE Cc1cc([C@H](Cl)c2sc(Br)cc2Br)sc1Br 1922932367 LCOGFLSKJPDGPT-QMMMGPOBSA-N 465.457 6.734 50 10 JKGE CC[C@@H](C(C)C)[C@@H](Br)c1c(Br)sc(Br)c1Cl 1923066559 QYYRGDBHVKGQSI-POYBYMJQSA-N 453.465 7.045 50 10 JKGE CCCc1ccc([C@H](Br)c2cc(Br)c(Br)s2)s1 1940269054 NSLXXBYIHRAJEQ-NSHDSACASA-N 459.066 6.771 50 10 JKGE CC[C@@H]([C@@H](Br)c1c(Br)sc(Br)c1Cl)C(C)(F)F 2004478054 HUHXWUMTDXBBEP-UJURSFKZSA-N 475.418 7.044 50 10 JKGE Cn1c(-c2ccccc2)c(C(=O)C(C#N)=Cc2ccc(O)c(Br)c2)c2ccccc21 2040448118 BEVBQIXMAFZSFT-UHFFFAOYSA-N 457.327 6.103 50 10 JKGE FC1(F)CC2(CC([C@H](Br)c3cc(Br)sc3Br)C2)C1 2040957769 NGJIMBWQXPGIEM-VIFPVBQESA-N 464.995 6.535 50 10 JKGE Clc1c(Br)sc(Br)c1[C@H](Br)[C@H]1CC2(CCC2)CO1 2047664255 MHAXPUCFZVIBNF-HTRCEHHLSA-N 479.459 6.322 50 10 JKGE CC1(C)C[C@@H](Br)CCN1C(=O)c1cc(Br)sc1Br 2050648834 HVWDUYNYSILJDK-ZETCQYMHSA-N 460.029 5.051 50 10 JKGE FC(F)c1ccc([C@@H](Br)c2sc(Br)cc2Br)cc1 2052511854 ZXFVQOFUXBIULE-SNVBAGLBSA-N 460.963 6.695 50 10 JKGE Cc1cc(Br)c(CBr)c(N2CCN(Cc3ccccc3)CC2(C)C)c1 2053203894 UZMTXTJKWNXMSE-UHFFFAOYSA-N 466.261 5.753 50 10 JKGE CCCCN(C(=O)OCC1c2ccccc2-c2ccccc21)c1nc(CCl)c(C(=O)O)s1 2081071029 LBBUSGSUNTWKFI-UHFFFAOYSA-N 470.978 6.136 50 10 JKGE Fc1cccc([C@H](CBr)Cc2ccc(Br)cc2Br)c1 2092260830 KTJNXHGJXJFVHY-LBPRGKRZSA-N 450.971 6.072 50 10 JKGE Cc1c(Br)sc([C@@H](Br)c2cc3c(s2)CCOC3)c1Br 2103246546 MFVHZLDLTRCWKJ-NSHDSACASA-N 487.076 6.200 50 10 JKGE Cc1c([C@H](Br)c2cc(Br)c(Cl)cc2F)nn(C)c1Br 2111930900 ABXSJCWHJGVVHD-SNVBAGLBSA-N 475.381 5.530 50 10 JKGE Clc1cccc(Br)c1[C@@H](Br)c1cc(C2CC2)c(Br)s1 2113165414 QUYKEXQTQWXJKE-ZDUSSCGKSA-N 485.466 7.288 50 10 JKGE Cn1ncc(COc2c(Br)cc(Cl)cc2CBr)c1Br 2116622535 XVMJRALZEFYBHS-UHFFFAOYSA-N 473.390 5.072 50 10 JKGE Cc1cc(Br)c(C)c([C@@H](Br)[C@H]2COC(C)(C)C2)c1Br 2136372292 SSFAOVAUHXTZAC-YGRLFVJLSA-N 455.028 6.080 50 10 JKGE FC1(F)C[C@]12CC[C@@H]([C@H](Br)c1ccc(Br)cc1Br)C2 2138859185 AOSQQAPXPNFXSQ-OXHMUOHRSA-N 458.966 6.473 50 10 JKGE COc1cc(F)c(F)cc1[C@H](Br)c1csc(Br)c1Br 2139623283 HCSUXIHRFIGZMD-JTQLQIEISA-N 476.962 6.044 50 10 JKGE Clc1ccc(C[C@@H](CBr)Cc2cccc(Br)c2)c(Br)c1 2144777404 SUOZNESJQWEUJR-LBPRGKRZSA-N 481.453 6.661 50 10 JKGE COc1ccc([C@@H](Br)c2cc(Br)sc2C)c(OC)c1Br 2152047551 JNACTXZMIFRADG-GFCCVEGCSA-N 485.035 6.083 50 10 JKGE O=S(=O)(c1cc(Br)cc(CCl)c1F)N(CCC(F)(F)F)Cc1ccccc1 2152211402 LZRZKQLSDXBKLD-UHFFFAOYSA-N 488.728 5.470 50 10 JKGE COCc1cc(Br)c([C@H](Br)c2cc3sc(C)cc3s2)s1 2156534014 UWZCNUVHPRHMGH-CYBMUJFWSA-N 452.258 6.726 50 10 JKGE C[C@@H]1CCN(Cc2ccccc2)C[C@@H]1n1c(CCl)nc2cc(Br)c(Cl)cc21 2159867062 WFTGJBCGLYZZQY-VLIAUNLRSA-N 467.238 6.274 50 10 JKGE FC1(F)CCC2(CC1)C[C@H]2[C@H](Br)c1c(Cl)sc(Br)c1Cl 2163396708 RICSZAZLCZFRSB-XPUUQOCRSA-N 469.016 7.469 50 10 JKGE Cc1cc(Br)c([C@@H](Br)[C@H]2CCn3nccc3C2)cc1Br 2165245686 LOMYBPJYYZQTSL-BONVTDFDSA-N 463.011 5.415 50 10 JKGE Cc1sc(Br)cc1[C@H](Br)c1cc(Br)cc(C(F)(F)F)c1 2172411653 GEOVJDAICLDIMA-GFCCVEGCSA-N 492.980 7.085 50 10 JKGE CN(C(=O)c1cc(Cl)ccc1I)[C@@H]1CCCCC[C@@H]1Br 2172545697 AEHZPHGSZGZWKC-GXTWGEPZSA-N 470.576 5.113 50 10 JKGE CC1(C)CCC[C@@]12[C@@H](Oc1ccc(Br)cc1Br)C[C@H]2Br 2173666091 MJSBDECGAAPCBY-IJEWVQPXSA-N 467.039 6.323 50 10 JKGE Fc1cc(Br)c([C@H](Br)c2ccc(Cl)c(Cl)c2)c(F)c1Cl 2201620304 ZVSUMFWZJDSWGE-LLVKDONJSA-N 465.346 7.172 50 10 JKGE COc1c(C)cc(Br)cc1[C@H](Br)Cc1ccc(Br)cc1 2206598942 RLPPFPNZSTTWDY-OAHLLOKOSA-N 463.007 6.207 50 10 JKGE COc1c(C(C)C)cc(Br)cc1[C@H](Br)[C@H]1C[C@@H](Br)C1 2224919034 WKGWUAMFVDIFAQ-ISTVAULSSA-N 455.028 6.191 50 10 JKGE Cc1ccc([C@@H](Br)c2cc(Br)c(Br)cc2F)c(C)c1 2225615207 DWDILZMSCDCPBZ-OAHLLOKOSA-N 450.971 6.452 50 10 JKGE Cc1cc(Br)c([C@@H](Br)[C@@H]2[C@H]3CCCC[C@H]32)c(C)c1Br 2227348007 LNODGVCFZVHAHI-PSHZPRKYSA-N 451.040 6.701 50 10 JKGE Fc1cc(F)c([C@@H](Cl)c2cc(Br)c(Br)s2)c(F)c1Br 2227808225 ZYEOVVNIOIJKTR-VIFPVBQESA-N 499.371 6.781 50 10 JKGE COc1cc(Br)c([C@H](Cl)c2c(Br)cccc2Br)cc1C 2236008218 AJYYDRUUVHAEAN-HNNXBMFYSA-N 483.425 6.619 50 10 JKGE Cc1ccc([C@H](Br)c2c(F)cc(F)c(Br)c2F)c(Br)c1 2236112667 VEXSAGHARSDYGL-LBPRGKRZSA-N 472.924 6.422 50 10 JKGE C[C@@H](CBr)N(Cc1ccccc1)C(=O)c1cc(F)c(Br)cc1Cl 2243477203 DTGOJPNOMXLUOB-NSHDSACASA-N 463.572 5.667 50 10 JKGE CC[C@H]1CN(C(=O)OCc2ccccc2)[C@H](CC)CN1CC1(CBr)CC(F)C1 2254441842 BINBUNCQXWLHAF-LNSLMDJYSA-N 455.412 5.011 50 10 JKGE CCc1cc([C@H](Br)c2nn(C)c(Cl)c2Br)sc1Br 2255975043 XHNUCZUMCUABAU-ZETCQYMHSA-N 477.447 5.707 50 10 JKGE COc1c([C@H](Cl)c2c(Br)sc(Br)c2Br)csc1C 2259129073 AHBKNEULTLLLHI-QMMMGPOBSA-N 495.483 6.742 50 10 JKGE CS(=O)(=O)c1cscc1[C@H](Br)c1sc(Cl)cc1Br 2260090916 GJERNHXGZFLZAH-VIFPVBQESA-N 450.626 5.113 50 10 JKGE COc1cc(C)c(Br)c(C)c1[C@@H](Br)c1ccc(Br)s1 2269602785 DRGDLZJDWMDPGV-AWEZNQCLSA-N 469.036 6.383 50 10 JKGE Brc1cnc(N2CCC3(CC[C@@H](Br)C3)CC2)c(Br)c1 2272384710 NKAQVTXTQVLUFO-SNVBAGLBSA-N 453.016 5.141 50 10 JKGE COc1ccc([C@H](Br)c2cccc3ccsc23)cc1I 2285000789 UZHJKOAEDHGNPT-HNNXBMFYSA-N 459.146 5.999 50 10 JKGE CCCCCCOc1ccc(C=C(C#N)C(=O)Nc2ncc(Cc3cccc(C)c3)s2)cc1 2293038914 HLHSQPFGEJXUHX-UHFFFAOYSA-N 459.615 6.547 50 10 JKGE Cl[C@@H](Cc1cc(Br)cc(Br)c1)c1cc2c(s1)CCSC2 2295343581 XZFUXHJWQXORQV-ZDUSSCGKSA-N 452.664 6.585 50 10 JKGE N#CC(=CNc1ccc(Cl)cc1C(=O)c1ccccc1)c1nc(-c2cccc([N+](=O)[O-])c2)cs1 2295934367 KKOABPXPCDZFAF-UHFFFAOYSA-N 486.940 6.579 50 10 JKGE O=C(C=Cc1ccco1)Oc1cccc(C=NNC(=O)[C@@H]2CC2(c2ccccc2)c2ccccc2)c1 2297451818 BIFKWSHXIGAWCG-MHZLTWQESA-N 476.532 5.355 50 10 JKGE Cc1cc(Br)c([C@H](Cl)c2cnsc2Br)cc1Br 2300291580 YFWNAVWVBYHPRN-JTQLQIEISA-N 460.416 6.067 50 10 JKGE CCCc1sc(Br)cc1[C@@H](Cl)c1cc(I)sn1 2300651446 YRUMMOAAAJFIPW-LLVKDONJSA-N 462.603 5.852 50 10 JKGE Cc1cc(C=C(C#N)C(=O)N(C)C)c(C)n1-c1ccc(OCc2ccc(Br)cc2)cc1 2313568073 OURXWCFFQVUQCK-UHFFFAOYSA-N 478.390 5.431 50 10 JKGE O=C(COc1ccc(Br)cc1Cl)NN=C(C=Cc1ccccc1)c1ccccc1 2313617370 PNSICTSCMDBRMT-UHFFFAOYSA-N 469.766 5.715 50 10 JKGE CCOc1cc(Br)c(C=C(C#N)C(=O)Nc2cccc(C(F)(F)F)c2)cc1OC 2313683450 DBKAGDCPVDDDCM-UHFFFAOYSA-N 469.257 5.421 50 10 JKGE CCNC(=O)C(C#N)=Cc1cn(-c2ccccc2)nc1-c1ccc(OCc2ccc(C)cc2)cc1 2314414492 AQEULUFTXLNFJK-UHFFFAOYSA-N 462.553 5.470 50 10 JKGE CC[C@@H](CC(F)(F)F)[C@H](Br)c1cc(Br)ccc1OCc1ccccc1 2314452849 QYIAXKFVYDVSNE-KSSFIOAISA-N 480.162 7.443 50 10 JKGE Brc1ccc(OCc2ccccc2)c([C@H](Br)c2cc3cscc3s2)c1 2314494924 MQTAZJXAQCZPIA-FQEVSTJZSA-N 494.273 7.789 50 10 JKGE CCCCCCN1C(=O)C(=Cc2ccc(OCc3ccc(F)cc3)c(OCC)c2)C(C)=C(C#N)C1=O 2314611319 SZUPQIBLMBNPPN-UHFFFAOYSA-N 490.575 5.976 50 10 JKGE O=C(N[C@H](CCBr)COCc1ccccc1)c1cc(F)c(Br)cc1Cl 2320356605 OLXFQCVXYZVHHW-CYBMUJFWSA-N 493.598 5.342 50 10 JKGE CN(Cc1ccc(I)c(Br)c1)C[C@H]1CCC[C@@H]1Br 2325214723 RQCQONMGYWXPDE-NEPJUHHUSA-N 487.017 5.049 50 10 JKGE CCOc1ccc(CCC(O)=C(C#N)c2nc(-c3ccc4c(c3)CCCC4)cs2)cc1OC 2331240262 PATCKQWQJMGVFA-UHFFFAOYSA-N 460.599 6.522 50 10 JKGE COc1cccc(-c2csc(C(C#N)=C(O)c3ccc4c(c3)C(=O)N(C(C)(C)C)C4=O)n2)c1 2331246353 FONIKCNUFRPUAA-UHFFFAOYSA-N 459.527 5.163 50 10 JKGE COc1c(Cl)ccc(Cl)c1C(O)=C(C#N)c1nc(-c2ccc(Cl)cc2Cl)cs1 2331254645 JVGMUVUVSLRPPX-UHFFFAOYSA-N 472.180 7.382 50 10 JKGE CCOc1ccc(-c2csc(C(C#N)=C(O)[C@H]3CC(=O)N(c4c(CC)cccc4CC)C3)n2)cc1 2331305617 ZBCAEELSIMBEHH-NRFANRHFSA-N 487.625 6.179 50 10 JKGE CC[C@@H](C)[C@H](C(O)=C(C#N)c1nc(-c2ccc(F)c(C)c2)cs1)N1C(=O)c2ccccc2C1=O 2331322501 FLHIKQVVQDFZRW-JLCFBVMHSA-N 475.545 5.761 50 10 JKGE COc1ccc(-c2csc(C(C#N)=C(O)CNC(=O)c3ccc(C(C)(C)C)cc3)n2)c(OC)c1 2331385866 PJHCUXDTXSWXOY-UHFFFAOYSA-N 477.586 5.347 50 10 JKGE CCOc1ccc(-c2csc(C(C#N)=C(O)c3c(Cl)ccc(Cl)c3Cl)n2)c(OCC)c1 2331388971 BLHHHOIYVOGVQT-UHFFFAOYSA-N 495.815 7.518 50 10 JKGE N#CC(=Cc1ccc(OCc2ccc(Cl)cc2Cl)cc1)c1nc(-c2ccccc2Cl)cs1 2331430505 BUHBKCIOLGGEOC-UHFFFAOYSA-N 497.834 8.413 50 10 JKGE Clc1ccc(C[C@@H](CBr)c2ccccc2Cl)cc1I 2337221542 QASUDQOQRRNONC-NSHDSACASA-N 469.975 6.319 50 10 JKGE COc1c(Br)cc(C)c([C@H](Br)[C@H]2CC23CCC3)c1Br 2339656612 PLUZFSQJQOWPSQ-BXKDBHETSA-N 453.012 6.155 50 10 JKGE CC1(C)CN(Cc2ccc(Cl)cc2I)C[C@@H]1CCBr 2341024171 DSKUVWCACQOEQV-LBPRGKRZSA-N 456.593 5.188 50 10 JKGE C[C@@H](Br)CN(Cc1cc(Br)ccc1Br)C1CCCC1 2342948505 WISNOBKBVYOUBE-LLVKDONJSA-N 454.044 5.740 50 10 JKGE COc1cc(OC)cc([C@H](Br)c2cc(Br)ccc2OCc2ccccc2)c1 2361178572 OXPFJCJZBDXRSF-QFIPXVFZSA-N 492.207 6.530 50 10 JKGE Cc1cc(Cl)ccc1[C@H](Cl)c1c(Cl)cc(Br)c(F)c1Br 2362226851 XHSFNYBVIKCDNN-ZDUSSCGKSA-N 461.383 7.294 50 10 JKGE CC(C)(C)C1CC([C@H](Br)c2c(Cl)cc(Br)c(F)c2Br)C1 2362238215 UYETYNGSLVQPQZ-TYAJBCFHSA-N 491.464 7.512 50 10 JKGE COC1([C@H](Br)c2c(C)cc(Br)c(F)c2Br)CC(CF)C1 2365227136 BXFISUFTSQLYLA-FEUBCLPYSA-N 476.981 5.860 50 10 JKGE CCc1nc([C@H](Br)CCc2cc(Cl)cc(Cl)c2)c(Br)s1 2366898209 OLIXPYRLQJDVQS-LLVKDONJSA-N 458.046 6.844 50 10 JKGE C[C@H](Br)C[C@H]1CCCCCN1Cc1cc(I)ccc1Cl 2380516191 ZIZFVXAFXYMNRH-SWLSCSKDSA-N 470.620 5.863 50 10 JKGE N#C/C(=C\c1ccc(N(c2ccccc2)c2ccccc2)cc1)S(=O)(=O)c1ccc(Cl)cc1 2660283 LNPSWYBIGWZJPA-ZXVVBBHZSA-N 470.981 7.148 50 10 JKGE CC(/C(=C(\C#N)c1ccc([N+](=O)[O-])cc1)c1ccccc1)=C(/CC(=O)c1ccccc1)c1ccccc1 33598030 RSHSXBIKEISXJX-FFZQXRLGSA-N 484.555 7.776 50 10 JKGE N#C/C(=C/c1ccc(OCc2ccc(Cl)cc2Cl)c(Br)c1)C(=O)N1CCOCC1 33638149 ZYEWBGYHLFEERS-SXGWCWSVSA-N 496.188 5.101 50 10 JKGE CCCCCCN1C(=O)C(C#N)=C(C)/C(=C\c2ccc(-c3ccc(C(=O)OCC)cc3)o2)C1=O 38604128 NRZDRFLVKOHMNK-CJLVFECKSA-N 460.530 5.296 50 10 JKGE CC(C)c1ccc(O[C@H](C)C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@H]3c2ccc([N+](=O)[O-])cc2)cc1 38655002 SGIJFKGBZSYBHT-QUGAMOGWSA-N 499.523 5.309 50 10 JKGE CCOc1c(Cl)cc(C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@H]3c2cccs2)cc1Cl 38656490 YQYJMFYPDSEXMP-FQEVSTJZSA-N 487.364 5.891 50 10 JKGE N#CC1=C(N)Oc2cc(OC(=O)COc3ccccc3Cl)ccc2[C@@H]1c1c(F)cccc1Cl 38680360 LWOBRROBDCOVQO-QFIPXVFZSA-N 485.298 5.335 50 10 JKGE CCCOc1cccc(C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@@H]3c2c(F)cccc2Cl)c1 38680557 ZYIPTKDJWMQAAF-HSZRJFAPSA-N 478.907 5.705 50 10 JKGE CCCCCOc1cccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4ccc(F)cc4)ccc32)c1 38684773 IVTWCDWCGHZUTB-SANMLTNESA-N 472.516 5.832 50 10 JKGE COc1cc(/C=C(\C#N)C(=O)N[C@@H](C)c2ccccc2)ccc1OCc1ccc(Cl)cc1Cl 40007579 JHDXIGUZXWCVLQ-RHLNUJDMSA-N 481.379 6.365 50 10 JKGE Cc1c(Cl)cccc1NC(=O)c1oc2c(c1C)/C(=N/NC(=O)c1ccccc1Cl)CCC2 40812626 WLOJYCYIMKLKIY-TURZUDJPSA-N 470.356 5.926 50 10 JKGE Cc1c(C(=O)NCCc2cccs2)oc2c1/C(=N/NC(=O)c1ccc(-c3ccccc3)cc1)CCC2 40822856 OAQNPPFGXZUVKW-QFMPWRQOSA-N 497.620 5.759 50 10 JKGE COc1cc(/C=N/NC(=O)COc2ccc(C(C)(C)C)cc2)ccc1OCCc1ccccc1 40911671 ZTYWQAKFHKUVSE-VUTHCHCSSA-N 460.574 5.143 50 10 JKGE CCOc1cc(/C=N/NC(=O)c2cc3ccccc3o2)cc(Cl)c1OCc1ccc(C(=O)O)cc1 59305379 SKGHCDCNFNBSKM-CCVNUDIWSA-N 492.915 5.526 50 10 JKGE Fc1cc2c(cc1Br)nc(CCCl)n2-c1ccc(I)cc1 97398517 WFLCXRFJCJMTDF-UHFFFAOYSA-N 479.518 5.313 50 10 JKGE CCCN1C(=O)C(C#N)=C(C)/C(=C\c2cn(-c3ccccc3)nc2-c2ccc(OCC)c(C)c2)C1=O 101332798 WXOPUOPSFGUNHP-LFVJCYFKSA-N 480.568 5.249 50 10 JKGE Cc1cccc(OCCCn2cc(/C=C(/C#N)C(=O)Nc3nc4ccccc4s3)c3ccccc32)c1 102443681 BJYSBCGEIKRLHS-FXBPSFAMSA-N 492.604 6.574 50 10 JKGE CCOc1ccccc1N/C(SCc1cccc([N+](=O)[O-])c1)=C(\C#N)C(=O)NCc1ccccc1 105423170 PCYJQRGHKFEGJQ-ROMGYVFFSA-N 488.569 5.390 50 10 JKGE Fc1cc(Br)cc([C@H](Cl)c2cc(Br)sc2Br)c1 109825121 JDEHNAMPUFPCJD-JTQLQIEISA-N 463.391 6.503 50 10 JKGE Fc1ccc([C@@H](Cl)c2cc(Br)c(Br)s2)cc1C(F)(F)F 128284102 JNKMHRCVIVOANG-SNVBAGLBSA-N 452.492 6.759 50 10 JKGE Clc1cc(CBr)ccc1Oc1ccc(Br)cc1Br 218320799 BCAPKDGFNZRENI-UHFFFAOYSA-N 455.371 6.552 50 10 JKGE COc1cccc(C[C@H](Br)c2cc(I)ccc2Br)c1 234987331 BZMRKQWFNCYYRK-HNNXBMFYSA-N 495.980 5.741 50 10 JKGE COc1ccc(C=NNC(=O)c2ccccc2-n2cccc2)cc1OCc1ccccc1Cl 252621038 MRPFYUUNQHNOCW-UHFFFAOYSA-N 459.933 5.482 50 10 JKGE BrCc1cc(Br)c(OC[C@@H]2C[C@H]3CC[C@H]2C3)c(Br)c1 300437978 CILRIDHTVMWVGB-DLOVCJGASA-N 453.012 5.922 50 10 JKGE Cc1cccc([C@H](Br)c2cc3c(cc2Br)OCC3)c1Br 308413210 JBMUMNDVLZOGKQ-INIZCTEOSA-N 460.991 5.939 50 10 JKGE Clc1sc([C@H](Br)c2ccc(OCc3ccccc3)cc2)cc1Br 309963126 JLAMKNJEKWZISZ-QGZVFWFLSA-N 472.629 7.227 50 10 JKGE Br[C@H](CC[C@@H]1CCCCO1)c1cc(I)cc2c1OCC2 312260426 DUUOOMBMZTVMNG-DZGCQCFKSA-N 451.142 5.011 50 10 JKGE COc1ccc([C@H](Br)c2cc(Br)ccc2OC)c(Br)c1 312309950 ZCOGZXBEWYCLKR-HNNXBMFYSA-N 464.979 5.713 50 10 JKGE Fc1cc(Br)ccc1[C@H](Cl)c1cc(I)cc2c1OCC2 312406845 WIFXCGKKZJRHON-AWEZNQCLSA-N 467.503 5.456 50 10 JKGE C[C@H](Cl)c1nc2cc(I)ccc2n1[C@H]1[C@@H]2CN(Cc3ccccc3)C[C@@H]21 398403062 CQHHSCFRXXCZOM-FVINJOMDSA-N 477.777 5.244 50 10 JKGE CC(C)(C)[Si](C)(C)OCCc1ccc([C@@H]2COCCCN2CCO[Si](C)(C)C(C)(C)C)cc1 616645299 MTQRBXPBCSQKRE-VWLOTQADSA-N 493.881 7.036 50 10 JKGE CC(C)(C)[C@@H]1C[C@H]1CO[C@](C)(CI)c1ccccc1Br 703464474 RGHNUYLJVTWVME-DXCKQFNASA-N 451.186 5.798 50 10 JKGE C[C@H](Cl)c1nc2ccc(Cl)cc2n1CC1(N(Cc2ccccc2)Cc2ccccc2)COC1 705783945 UNVMWZPUJFHVCV-FQEVSTJZSA-N 480.439 6.461 50 10 JKGE C[C@H]1Cc2cc(Br)cc([C@H](Br)c3ccc(OCc4ccccc4)cc3)c2O1 720047734 ZMTMWKONYGKRIV-OYHNWAKOSA-N 488.219 6.836 50 10 JKGE CCOc1cc(C=NNC(=O)c2cc(OC)cc(OC)c2)ccc1OCc1ccccc1Cl 1084033608 JKXZRXRZGYNLCR-UHFFFAOYSA-N 468.937 5.099 50 10 JKGE COc1ccc(C(C)=NNC(=O)C=C(Sc2ccccc2)Sc2ccccc2)cc1OC 1084037547 LOCOXDWHBNMPKR-UHFFFAOYSA-N 464.612 5.970 50 10 JKGE C=CCc1cc(/C=C(\C#N)C(=O)Nc2ccc(C)cc2)cc(Br)c1OCc1ccccc1 1084063378 NBSNQYLYIYGXKW-HZHRSRAPSA-N 487.397 6.611 50 10 JKGE C[C@H]1CCCC(=NNC(=O)COc2ccc3cc(Br)ccc3c2Br)C1 1084109221 SHXMZLMBGPRION-LBPRGKRZSA-N 468.189 5.426 50 10 JKGE N#Cc1ccccc1COc1ccc2ccccc2c1C=NNC(=O)c1ccccc1Br 1084536864 HMKYEOZMADZIJF-UHFFFAOYSA-N 484.353 5.817 50 10 JKGE CCc1ccc(OCC(=O)NCc2ccc(OC(=O)Nc3ccc(SC#N)cc3)cc2)cc1 1858903325 XKKMRSNDXGZYGU-UHFFFAOYSA-N 461.543 5.128 50 10 JKGE CCc1nn(Cc2c(F)cccc2Cl)c2c1[C@H](c1ccc(C(C)(C)C)cc1)C(C#N)=C(N)O2 1865682866 ZDEHAYLRPRXUGQ-JOCHJYFZSA-N 464.972 5.802 50 10 JKGE COc1ccc(-c2nn(-c3ccccn3)c3c2[C@@H](c2ccc(C(C)C)cc2)C(C#N)=C(N)O3)cc1 1865686481 WTRIEIZCEHXQDZ-DEOSSOPVSA-N 463.541 5.284 50 10 JKGE Cc1ccc(O)c([C@@H]2C(C#N)=C(N)Oc3c2c(C(F)(F)F)nn3-c2cccc3ccccc23)c1 1865687589 VMZYMXLJANSSCA-HXUWFJFHSA-N 462.431 5.277 50 10 JKGE COc1ccc2ccccc2c1[C@@H]1C(C#N)=C(N)Oc2c1c(C)nn2-c1ccc(Br)cc1 1865687916 CZMMRNFBOWVAJJ-HSZRJFAPSA-N 487.357 5.323 50 10 JKGE CCCOc1cccc([C@H]2C(C#N)=C(N)Oc3c2c(CCC)nn3Cc2ccc(Cl)cc2)c1 1865692765 FWBRSFBADBBOQX-QHCPKHFHSA-N 462.981 5.544 50 10 JKGE CCc1nn(Cc2cccc(Cl)c2)c2c1[C@H](c1ccc(N(CC)CC)cc1)C(C#N)=C(N)O2 1865701688 BWLFRKGAUCNBGR-HSZRJFAPSA-N 461.997 5.212 50 10 JKGE Cc1ccc(-n2nc(C)c3c2OC(N)=C(C#N)[C@H]3c2ccc(OCc3ccccc3Cl)cc2)cc1 1865703548 AUSUWBGBJHRXPW-AREMUKBSSA-N 482.971 5.940 50 10 JKGE N#C/C(=C(/O)Cc1ccc(Br)cc1)c1nc(-c2ccc(Cl)cc2Cl)cs1 1872744312 MDPIHEHOTRZHIF-SDXDJHTJSA-N 466.187 6.915 50 10 JKGE C=CCOc1ccccc1OC/C(O)=C(\C#N)c1nc(-c2cc(C(C)C)c(OC)cc2C)cs1 1872753946 VRRSIHWVDXCNMY-LNVKXUELSA-N 476.598 6.687 50 10 JKGE CCOc1ccc(OCC)c(-c2csc(/C(C#N)=C(\O)c3ccc(-n4cccc4)cc3)n2)c1 1872754931 QHOWFVZGGRJJLM-LVWGJNHUSA-N 457.555 6.348 50 10 JKGE COc1ccc(Cl)cc1N1C[C@H](/C(O)=C(\C#N)c2nc(-c3ccc(C)c(C)c3)cs2)CC1=O 1872756301 HEFHKFURIKAAKH-WHTJBBQOSA-N 479.989 5.935 50 10 JKGE CCCCCOc1ccc(/C=C(\C#N)c2nc(-c3c(C)cc(C)cc3C)cs2)cc1OCC 1872794371 XRKNQIUGYNMHBC-HZHRSRAPSA-N 460.643 7.767 50 10 JKGE CC[C@H](C)c1ccc(S(=O)(=O)N(Cc2ccccc2)[C@H](CBr)C2CC2)cc1 1915185384 AKIRLINRSSQPEC-HTAPYJJXSA-N 450.442 5.565 50 10 JKGE Cc1cc(Br)ccc1C(=O)N(Cc1ccccc1)[C@H](CBr)C1CC1 1915315552 XBZUNNPMPYEYAO-LJQANCHMSA-N 451.202 5.573 50 10 JKGE O=C(c1cccc(F)c1Br)N(Cc1ccccc1)[C@H](CBr)C1CC1 1915315626 XOOVGFHSGZAELK-QGZVFWFLSA-N 455.165 5.404 50 10 JKGE COc1cc(Cl)ccc1[C@H](Br)c1sc(Br)cc1Br 1922945638 IHCIUMDSQDOTFU-NSHDSACASA-N 475.427 6.419 50 10 JKGE Brc1cc(Br)c([C@@H](Br)[C@@H]2CCCc3ccccc32)s1 1922954884 TVFRSJBDPMUFCZ-RISCZKNCSA-N 465.048 6.829 50 10 JKGE FC(F)(CC1CC1)[C@H](Cl)c1c(Br)sc(Br)c1Br 1924569905 BQHSITANJXKBEK-SSDOTTSWSA-N 473.402 6.751 50 10 JKGE Clc1sc(Br)c(Cl)c1[C@H](Br)c1cccc2ccsc12 1925593629 JMADUJIFVJEGLM-SECBINFHSA-N 457.039 7.516 50 10 JKGE C[C@@H]1CN(c2ccc(CBr)c(Br)c2)[C@H](C)CN1Cc1ccccc1 1946784189 XRSKJZZBBWUCOT-HZPDHXFCSA-N 452.234 5.443 50 10 JKGE Clc1c(Br)sc(Br)c1[C@H](Br)[C@@H]1CCC2(CC2)C1 1950246110 MZMXAYDJCCZWOE-HTRCEHHLSA-N 463.460 6.943 50 10 JKGE Cc1sc([C@@H](Br)c2cc(Br)c(Cl)s2)c(C)c1Br 2004901624 BFGSEMXGTFJRMV-VIFPVBQESA-N 479.484 7.089 50 10 JKGE Fc1cc2c(cc1I)nc(CCl)n2[C@@H]1CC[C@@H]1OCc1ccccc1 2038730561 VWPAYHALRPYVCR-AEFFLSMTSA-N 470.713 5.439 50 10 JKGE Cc1cc(Br)c(C)c([C@H](Br)c2cscc2Cl)c1Br 2081055464 USECBJAXTVIBSZ-CYBMUJFWSA-N 473.455 7.028 50 10 JKGE O=C(N[C@@H]1CCCC[C@H]1CCBr)c1cc(Br)c(Br)s1 2090566117 BETQGTCOCXYQJE-WCBMZHEXSA-N 474.056 5.347 50 10 JKGE COCC1([C@H](Br)c2cc(Br)ccc2Br)CCCCC1 2094187329 JUOAKNRQHIFKIJ-CQSZACIVSA-N 455.028 6.245 50 10 JKGE Cc1cc2sc([C@H](Br)c3c(Cl)sc(Br)c3Cl)cc2s1 2100322692 KKGRIJIKAXNORR-VIFPVBQESA-N 477.095 7.886 50 10 JKGE C[C@@H](COCc1ccccc1)Cn1c([C@@H](C)Cl)nc2cc(Br)c(Cl)cc21 2103814930 IPEVBACRTWMJKO-ZIAGYGMSSA-N 456.211 6.605 50 10 JKGE Clc1cc(Br)cc(CC(CBr)(CBr)C2CCCC2)c1 2110527371 ZMDDLJATLRNUQR-UHFFFAOYSA-N 473.474 6.611 50 10 JKGE Cc1ccc([C@H](Br)c2nn(C)c(Cl)c2Br)c(C)c1Br 2110731984 ZEYPEAUGXJQYOL-JTQLQIEISA-N 471.418 5.700 50 10 JKGE Fc1ccc(CC[C@@H](Br)c2cccc(Br)c2)c(Br)c1 2113489682 RZJVOZVMYUAXLP-CQSZACIVSA-N 450.971 6.420 50 10 JKGE O=C(c1cc(Br)c(Br)s1)N1CC[C@@H](Br)CC12CCC2 2113572742 QZWZQYMAYQORLY-MRVPVSSYSA-N 472.040 5.195 50 10 JKGE CC(C)CN1C[C@H](Cc2cc(Br)ccc2Br)[C@@H](Br)C1 2118532654 RJTNAZORRJHPTR-WFASDCNBSA-N 454.044 5.105 50 10 JKGE Clc1nc(Cl)n([C@H]2CN(Cc3ccccc3)[C@@]3(CCCOC3)C2)c1CBr 2118820827 NQNWHHDBOZPEPP-BEFAXECRSA-N 459.215 5.081 50 10 JKGE Cc1csc([C@H](Cl)c2c(Br)cc(F)c(Cl)c2F)c1Br 2136967642 WXIKRJKFOOVINH-SNVBAGLBSA-N 450.957 6.841 50 10 JKGE CCC[C@H]1CN(Cc2cccc(Br)c2Br)C[C@@H]1CBr 2140782799 CYXLMKMVSYGKIY-AAEUAGOBSA-N 454.044 5.455 50 10 JKGE Clc1ccc(I)c(CN2[C@@H](CBr)CCC23CCC3)c1 2140863845 HACWLOFYWBQVLM-CYBMUJFWSA-N 454.577 5.227 50 10 JKGE BrCCC[C@@H]1CCCCN1Cc1c(Br)cccc1Br 2141712878 BVZJAFFFJIXITQ-LBPRGKRZSA-N 454.044 5.741 50 10 JKGE Clc1cc(CC2(CBr)CC3(CCOC3)C2)ccc1I 2142941321 VAABJFSDEGBQFS-UHFFFAOYSA-N 455.561 5.069 50 10 JKGE Clc1cccc(C[C@@H](CBr)Cc2ccc(Br)cc2Br)c1 2148680971 GRCQWQKHMJWORK-GFCCVEGCSA-N 481.453 6.661 50 10 JKGE COCCc1ccc([C@H](Br)c2cccc(Br)c2Br)cc1 2148748339 BUJLJLSZOUBKLO-HNNXBMFYSA-N 463.007 5.885 50 10 JKGE CC[C@H](Br)CN(Cc1ccccc1)C(=O)c1ccc(OC(F)(F)F)c(Cl)c1 2163392490 YITDKYVDHGNPPH-HNNXBMFYSA-N 464.709 6.055 50 10 JKGE O=C(NC[C@@H]1CCCC[C@H](Br)C1)c1cc(Cl)ccc1I 2163745189 FQOHMRFXQRIITF-MNOVXSKESA-N 470.576 5.018 50 10 JKGE ClCCc1nc2cc(Cl)c(Br)cc2n1[C@@]12C[C@H]1CN(Cc1ccccc1)C2 2169008712 GMAHGUFJICJALY-YCRPNKLZSA-N 465.222 5.465 50 10 JKGE Cc1sc([C@@H](Br)c2cc(Br)cc(C(F)(F)F)c2)cc1Br 2172413050 SVZMUURLIFBIKZ-LBPRGKRZSA-N 492.980 7.085 50 10 JKGE CCOc1ccc([C@@H](Br)c2c(C)nn(C)c2Br)cc1Br 2185750572 OWRFIQYLSAUJOS-CYBMUJFWSA-N 466.999 5.137 50 10 JKGE COc1cc(C)c([C@H](Cl)c2cc(Br)cc(Br)c2)cc1Br 2198733341 VDECEHVSNKWBGB-OAHLLOKOSA-N 483.425 6.619 50 10 JKGE Fc1ccc([C@H](Cl)c2c(Br)cc(F)c(Cl)c2F)c(I)c1 2201611553 QYDFLOJPQDLTED-NSHDSACASA-N 495.891 6.453 50 10 JKGE FC(F)(F)c1ccc([C@H](Br)c2ccc(Br)cc2Br)cc1 2203689580 YSAUBTSMSDRITA-ZDUSSCGKSA-N 472.924 6.715 50 10 JKGE CCC[C@@H]1CN(C(=O)c2cccc(Br)c2Br)C[C@@H]1CBr 2205683248 MWMBSTFUZMHMHS-MNOVXSKESA-N 468.027 5.095 50 10 JKGE Cc1cc(Br)c([C@H](Cl)c2sncc2Br)c(C)c1Br 2220153702 IYCSVUQMPQOSKD-NSHDSACASA-N 474.443 6.376 50 10 JKGE Fc1cc(Br)c(Br)cc1[C@@H](Br)[C@H]1CC2(CCC2)CO1 2225619869 OEEXYCDJCYERAW-CHWSQXEVSA-N 456.975 5.746 50 10 JKGE Fc1cc(Br)c(Br)cc1[C@@H](Br)C1(C(F)(F)F)CCC1 2225634671 QDSZNPWYSUWASB-SNVBAGLBSA-N 468.908 6.519 50 10 JKGE CC1([C@@H](Br)c2cc(Br)sc2Br)CC2(CC(F)(F)C2)C1 2230655771 OQEANAQQXWLUBX-VIFPVBQESA-N 479.022 6.925 50 10 JKGE Cc1ccc(Cl)cc1[C@@H](Br)c1c(Br)cc(Cl)c(Cl)c1Cl 2232510508 HFHXORGQKAGAQQ-GFCCVEGCSA-N 477.838 7.855 50 10 JKGE COC1(C[C@@H](Br)c2c(Br)cc(Cl)c(Cl)c2Cl)CCCC1 2232514587 VTVYXHOTGGOKGS-SECBINFHSA-N 465.440 7.195 50 10 JKGE C[C@]1([C@H](Br)c2cc(Br)c(Br)cc2F)CCCC(F)(F)C1 2233976625 PRLVEMRIJQYKEF-OLZOCXBDSA-N 478.972 7.002 50 10 JKGE Cc1sc([C@H](Br)c2c(Br)cc(F)c(F)c2F)c(C)c1Br 2234465053 SWXLVTLLUOFYAB-SNVBAGLBSA-N 492.980 6.792 50 10 JKGE Cc1cc(Br)c([C@H](Br)[C@@H]2C[C@@H]3CCCC[C@H]32)c(C)c1Br 2235615251 PICASMDBXJGRIY-SFDCBXKLSA-N 465.067 7.091 50 10 JKGE COc1cc(Br)c([C@H](Cl)c2ccc(C)c(I)c2)cc1C 2236013166 VRPGHKLFCOZLMP-MRXNPFEDSA-N 465.556 6.007 50 10 JKGE C[C@@H](Cl)COCC#Cc1sc(Br)c(Br)c1Br 2246103152 NNDXGVHCZJBPOE-ZCFIWIBFSA-N 451.405 5.031 50 10 JKGE Cc1cc(Cl)c(Cl)cc1[C@H](Br)c1csc(I)c1 2246351268 KCSFYBSGHSANFL-GFCCVEGCSA-N 461.977 6.452 50 10 JKGE Clc1c(Br)csc1[C@H](Br)c1cc(C2CC2)c(Br)s1 2253600883 UGYFWVHJAROOMY-SECBINFHSA-N 491.495 7.350 50 10 JKGE CS(=O)(=O)c1cscc1[C@H](Cl)c1cc(Br)sc1Br 2260095944 UERPOJCLLCZPOG-SECBINFHSA-N 450.626 5.066 50 10 JKGE Cc1cc(Br)c([C@H](Br)c2nn(C)cc2Br)c(C)c1F 2264493132 OOYDXHHLUUPBHC-NSHDSACASA-N 454.963 5.185 50 10 JKGE COc1ccc(C[C@H](Br)c2c(F)cccc2I)cc1F 2282778727 UKPOHDXEMRVHHZ-JTQLQIEISA-N 453.064 5.257 50 10 JKGE COc1ccc([C@H](Br)c2cc(C)cc(Br)c2)c(Br)c1Cl 2283564178 RMSJLULLOZJLTD-CYBMUJFWSA-N 483.425 6.666 50 10 JKGE CCCC1CCC([C@@H](Br)c2ccc(OC)c(I)c2)CC1 2285003712 RQBAQGBCQLYCOB-QWQCLYJRSA-N 451.186 6.342 50 10 JKGE COc1ccc([C@@H](Br)C2(C(F)(F)F)CCCC2)cc1I 2285015630 ZNCBTNDPIJOHKI-GFCCVEGCSA-N 463.075 5.859 50 10 JKGE Fc1cc(Br)c(F)c(Br)c1[C@@H](Br)[C@H]1CCCC12CCC2 2288347710 XCMODDSLJMWGII-PELKAZGASA-N 472.993 6.896 50 10 JKGE Cc1ccc(C[C@@H]2SC(=C(C#N)C(=O)Nc3ccc(Cl)cc3)N(c3ccc(C)cc3)C2=O)cc1 2293039212 PWTVLFKMSBQHQK-DEOSSOPVSA-N 488.012 6.022 50 10 JKGE COc1cc(C=C(C#N)c2ccccc2)c(Br)cc1OCc1ccc(Br)cc1 2293638355 FBHWGWRIFJWXTD-UHFFFAOYSA-N 499.202 6.863 50 10 JKGE CCCOc1ccc(C=C(NC(=O)c2ccccc2)C(=O)NN=Cc2c(O)ccc3ccccc23)cc1 2296733668 YYNLOBNDKLBVJP-UHFFFAOYSA-N 493.563 5.255 50 10 JKGE CCOC(=O)c1c(NC=C(C#N)c2nc(-c3ccc(F)cc3)cs2)sc(C(=O)OC)c1C 2296790101 OVMQTDQZXKEFHK-UHFFFAOYSA-N 471.535 5.259 50 10 JKGE Cc1ccc2nc(Cl)c(C=C(C#N)c3nc(-c4cc5ccccc5oc4=O)cs3)cc2c1 2297315892 IHWIHCNFHFRTEW-UHFFFAOYSA-N 455.926 6.491 50 10 JKGE Cc1cc(C=C(C#N)C(=O)NCc2ccc(Cl)cc2)c(C)n1-c1ccc(Br)cc1 2297487674 XZRKITRBNLIIFD-UHFFFAOYSA-N 468.782 5.733 50 10 JKGE Brc1cc(OCc2ccccc2)ccc1[C@@H](Br)[C@@H]1C[C@@H]2CC[C@H]1O2 2299489301 NTGDTIRBHURDRG-JQERWDHBSA-N 452.186 6.032 50 10 JKGE COC[C@]1(C)C[C@@H]1[C@H](Br)c1cc(Br)ccc1OCc1ccccc1 2299527906 MZWFVGZTLHQEJA-RLLQIKCJSA-N 454.202 6.137 50 10 JKGE COc1cc(C=C(C#N)C(=O)Nc2cccc(C)c2)cc(Br)c1OCc1ccc(C)cc1 2313518416 BNIZNKZVMRHLIR-UHFFFAOYSA-N 491.385 6.199 50 10 JKGE COC(=O)c1ccc(-c2ccc(C=C(C#N)C(=O)Nc3cccc(Cl)c3Cl)o2)cc1Cl 2313570822 GVFNRTIYGRGJBY-UHFFFAOYSA-N 475.715 6.239 50 10 JKGE CCC(F)(F)C(C)(C)[C@H](Br)c1cc(Br)ccc1OCc1ccccc1 2314453305 VKJHRCMGDUYBPQ-GOSISDBHSA-N 476.199 7.536 50 10 JKGE CC(C)(CC(F)(F)F)[C@H](Br)c1cc(Br)ccc1OCc1ccccc1 2314455044 LHJRGUOKZXWMFU-QGZVFWFLSA-N 480.162 7.443 50 10 JKGE Cc1cccn2c(=O)c(C=C(C#N)C(=O)Nc3ccc(F)cc3)c(Oc3ccccc3Cl)nc12 2314533095 OLWWWZFRSGGYEN-UHFFFAOYSA-N 474.879 5.133 50 10 JKGE CCCCCN1C(=O)C(=Cc2ccc(OCc3ccccc3F)c(OCC)c2)C(C)=C(C#N)C1=O 2314609990 BMDVFFGWWCSLHJ-UHFFFAOYSA-N 476.548 5.586 50 10 JKGE CCCCOc1ccc(C=C(C#N)C(=O)Nc2sc(=S)c3c(c2C#N)CC[C@H](C)C3)cc1 2314793255 PSYJDVMUBHMXHY-INIZCTEOSA-N 463.628 6.199 50 10 JKGE COc1cc(C=CC#N)ccc1OC(=O)CCCOc1cc(C)c(Cl)c(C)c1Br 2314795963 JHOYPVLDDXHUIX-UHFFFAOYSA-N 478.770 6.029 50 10 JKGE Cc1cc(C(=O)N[C@@H](CCBr)COCc2ccccc2)cc(C)c1Br 2320356968 UMZCYOIUZFLAQD-SFHVURJKSA-N 469.217 5.166 50 10 JKGE Cc1scc([C@H](Cl)Cc2cc(Br)cc(Br)c2)c1Br 2320470958 KUYNSQRJDIEMJT-GFCCVEGCSA-N 473.455 6.867 50 10 JKGE CCCCCCCCCOc1ccc(C=NNC(=O)[C@@H]2CCCN2C(=O)OC(C)(C)C)c(Cl)c1 2328829471 KGUQOMUHJNQXJF-QHCPKHFHSA-N 494.076 6.319 50 10 JKGE N#CC(=Cc1ccc(N2N=C(c3ccccc3)C[C@H]2c2ccccc2)cc1)c1ccc(Cl)cc1F 2331063858 HWBUJOIFJSFKLF-PMERELPUSA-N 477.970 7.899 50 10 JKGE Cc1c([N+](=O)[O-])cc(C(O)=C(C#N)c2nc(-c3ccc(Br)cc3)cs2)cc1[N+](=O)[O-] 2331260312 VJEYVYNFBRVLGD-UHFFFAOYSA-N 487.291 5.647 50 10 JKGE COc1ccc(Cl)cc1N1C[C@H](C(O)=C(C#N)c2nc(-c3ccccc3Cl)cs2)CC1=O 2331266982 SMAMIYLSAIITMY-CYBMUJFWSA-N 486.380 5.971 50 10 JKGE N#CC(=C(O)c1ccc(N2CCOCC2)c([N+](=O)[O-])c1)c1nc(-c2ccc(Cl)cc2)cs1 2331300484 JJMZONMFUHMFIZ-UHFFFAOYSA-N 468.922 5.158 50 10 JKGE COc1cc(OC)cc(C(O)=C(C#N)c2nc(-c3ccc(Oc4ccccc4)cc3)cs2)c1 2331358740 JFQDMXILADOPEE-UHFFFAOYSA-N 456.523 6.569 50 10 JKGE COc1ccc(-c2csc(C(C#N)=C(O)[C@H](C(C)C)N3C(=O)c4ccccc4C3=O)n2)c(C)c1C 2331361522 ZWZNAGKOLNBUJV-QHCPKHFHSA-N 487.581 5.549 50 10 JKGE COc1cc(Cl)c(C)cc1-c1csc(C(C#N)=C(O)CCN2C(=O)c3ccccc3C2=O)n1 2331390616 TWQUFZYXQGDKFG-UHFFFAOYSA-N 479.945 5.260 50 10 JKGE COc1cc(C)c(-c2csc(C(C#N)=C(O)c3ccc4c(c3)C(=O)N(C(C)(C)C)C4=O)n2)cc1C 2331402860 ZKBWAWCMJGZRTE-UHFFFAOYSA-N 487.581 5.780 50 10 JKGE COc1ccc(-c2csc(C(C#N)=Cc3ccc(OCc4ccc(Cl)cc4Cl)cc3)n2)cc1 2331431559 XESKJDSSOKHDQP-UHFFFAOYSA-N 493.415 7.769 50 10 JKGE FC1(F)CCC[C@@H]2[C@@H]([C@H](Br)c3cc(Br)ccc3OCc3ccccc3)[C@@H]21 2336086303 MKJRODWKJKCEGF-HUYLIWGRSA-N 486.194 7.146 50 10 JKGE Clc1cccc(CBr)c1OCc1cc(Br)cc(Br)c1 2337068955 ITFNCTXSRVANFM-UHFFFAOYSA-N 469.398 6.339 50 10 JKGE Cc1cc(Br)c(F)c(Br)c1[C@H](Br)[C@@H]1C[C@@H]1C(F)(F)F 2339653198 GZURHIPLJXQBSW-QIOHGKGESA-N 468.908 6.294 50 10 JKGE ClC[C@@H](I)[C@@H](CCl)OCCCc1cc(Cl)cc(Cl)c1 2341219307 NFGQSNALPACPGV-CHWSQXEVSA-N 455.978 5.592 50 10 JKGE Cc1scc([C@H](Br)c2cc3c(cc2Br)OCC3)c1Br 2343561650 KMHJUBUHXZJMJO-CQSZACIVSA-N 467.020 6.001 50 10 JKGE Clc1sc(Br)c(Cl)c1[C@H](Br)[C@H]1C[C@@H]2CCCCCC[C@@H]21 2354882141 GPVTVZQAZXBTNB-QFOLPQNPSA-N 461.090 7.860 50 10 JKGE Cc1cc(Br)c([C@H](Br)[C@@H]2CC[C@H]3C[C@@H]2CO3)c(C)c1Br 2358673953 RYQRKHWWAJFUJX-AZKPJATDSA-N 467.039 6.080 50 10 JKGE Clc1cc(CN2[C@@H](CBr)C[C@H]3CCCC[C@H]32)ccc1I 2358954869 VZYRBRRMUWCAGG-XJKCOSOUSA-N 468.604 5.473 50 10 JKGE Fc1cc(Br)c(F)c(Br)c1[C@H](Br)[C@H]1CC[C@@H]2C[C@H]1CO2 2359749282 GCWMXTFZRHYKNG-FLNNQWSLSA-N 474.965 5.741 50 10 JKGE Cn1nc([C@@H](Br)c2c(F)cc(Cl)c(Br)c2Cl)c(Cl)c1Cl 2360406353 KEDWMQBTUZYKPN-ZETCQYMHSA-N 485.793 6.420 50 10 JKGE Fc1c(Br)cc(Cl)c([C@@H](Cl)[C@H]2COCCC2(F)F)c1Br 2362239189 LCGKIGLAHXSTFA-FWOIEVBISA-N 456.911 5.956 50 10 JKGE CC[C@@H](CC(F)(F)F)[C@@H](Cl)c1c(Cl)cc(Br)c(F)c1Br 2362254149 WUASMZUZHSAATC-XUOSJQGZSA-N 460.918 7.263 50 10 JKGE Fc1cc(CBr)c(N2CCN(Cc3ccccc3)C[C@@H]2C(F)(F)F)cc1Cl 2362382747 IOGUKVZATZRABZ-GOSISDBHSA-N 465.716 5.627 50 10 JKGE COc1cc(C)c(Br)cc1[C@@H](Cl)c1c(Br)c(Br)nn1C 2364037832 UTUVOTKZVMNJIU-LLVKDONJSA-N 487.417 5.353 50 10 JKGE CCC1CC(C[C@H](Br)c2c(C)cc(Br)c(OC)c2Br)C1 2365217778 HJTFAZURUAATKV-MCIGGMRASA-N 469.055 6.791 50 10 JKGE Cc1cc(Br)c(F)c(Br)c1[C@@H](Cl)c1cc(Br)ccc1F 2365224353 XJMVQPUHQBRWQY-ZDUSSCGKSA-N 489.379 6.889 50 10 JKGE CN(Cc1c(Br)cccc1Br)c1cccc(Br)c1CCl 2366183820 AJQJQSICXOOSRC-UHFFFAOYSA-N 482.441 6.349 50 10 JKGE COc1c(CBr)cccc1OCc1ccc(I)c(Cl)c1 2367364749 ZHAUKKLUVXMYCR-UHFFFAOYSA-N 467.528 5.427 50 10 JKGE O=C(Nc1ccc(CBr)c(F)c1)c1cccc(Br)c1Br 2367669432 VEOSOGGSBHIWMO-UHFFFAOYSA-N 465.942 5.498 50 10 JKGE Clc1ccc(I)cc1CN1CC2(CCCC2)C[C@H]1CBr 2380510501 DWGCKVQFNXFFFY-AWEZNQCLSA-N 468.604 5.474 50 10 JKGE FC(F)(F)[C@H]1C[C@@H]([C@H](Br)c2cc(I)cc3c2OCC3)C1 2380887928 RQVBAPYSJHREAB-SBMIAAHKSA-N 461.059 5.251 50 10 JKGE CC(C)(C)Oc1ccc([C@@H](Br)c2cc(Br)co2)cc1Br 2381299748 PFSSGKOGRBSNMM-CQSZACIVSA-N 466.995 6.466 50 10 JKGE COc1ccc(/C=C(/C(=O)c2ccc(Br)cc2)N2C=CC=CC2=C(C#N)C#N)cc1 9086649 RNYBLCVQWORBAL-UCQKPKSFSA-N 458.315 5.368 50 10 JKGE Cc1cc(Cl)ccc1OCC(=O)Oc1ccc2c(c1)OC(N)=C(C#N)[C@H]2c1ccc(C(C)C)cc1 38649615 VJASHOUAAZNLGJ-MHZLTWQESA-N 488.971 5.974 50 10 JKGE CCCOc1ccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)COc4ccc(C(C)C)cc4)ccc32)cc1 38650711 XBWDCVWEAPMYHJ-GDLZYMKVSA-N 498.579 5.801 50 10 JKGE N#CC1=C(N)Oc2cc(OC(=O)c3cccc4ccccc34)ccc2[C@H]1c1cccc([N+](=O)[O-])c1 38653952 SYKZOWWIWQOILW-RUZDIDTESA-N 463.449 5.185 50 10 JKGE CCCOc1ccc(C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@H]3c2ccc(CC)cc2)cc1 38677190 NGLIALAMFZBAHE-SANMLTNESA-N 454.526 5.475 50 10 JKGE CCCCOc1ccccc1[C@H]1C(C#N)=C(N)Oc2cc(OC(=O)c3cccc(Cl)c3)ccc21 38683047 DMLCCVGQFQPIOP-RUZDIDTESA-N 474.944 5.956 50 10 JKGE CCCOc1cccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4ccc(C(C)(C)C)cc4)ccc32)c1 38684363 KFDNMYLQCKBLCX-MHZLTWQESA-N 482.580 6.210 50 10 JKGE CCOc1ccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4ccc(Cl)cc4Cl)ccc32)cc1 38685751 DWQLWFKZFLSHGO-QHCPKHFHSA-N 481.335 5.829 50 10 JKGE CCCc1ccc(OCC(=O)Oc2ccc(/C=C(\C#N)c3ccc(Cl)cc3)cc2OC)cc1 40850979 JQNOBPYBBISOGH-PXLXIMEGSA-N 461.945 6.350 50 10 JKGE CCOC(=O)c1c(NC(=O)N/N=C/c2cccc(Oc3ccccc3)c2)sc2c1CC[C@H](C)C2 40851472 BGKPTDXKDHMNMC-DCMOEJRUSA-N 477.586 5.998 50 10 JKGE CCN(CC)c1ccc(/C=N/NC(=O)CCCSc2nc3ccc([N+](=O)[O-])cc3s2)cc1 58988640 RMRMRKBIDFPOIG-HZHRSRAPSA-N 471.608 5.073 50 10 JKGE CCOc1cc(/C=C(/C#N)C(=O)Nc2sc(C(C)C)cc2C(=O)OC)cc(Br)c1O 96438548 RHEKSQLHNKTCPF-MLPAPPSSSA-N 493.379 5.071 50 10 JKGE CC(C)OC(=O)c1ccc(NC(=O)[C@H](Br)[C@H](Br)c2ccccc2)cc1 101051515 JUZNUSOWWHFHPJ-IAGOWNOFSA-N 469.173 5.090 50 10 JKGE CCc1ccc(N2C(=O)[C@@H](Cc3ccccc3C)S/C2=C(/C#N)C(=O)Nc2ccccc2C)cc1 101244898 QZXRRBPZQDFUEU-SCHJHDHGSA-N 481.621 5.931 50 10 JKGE Fc1c(F)c(F)c([C@H](Cl)c2cc(Br)ccc2Br)c(F)c1F 109803270 QEZRSEBQMJCMHK-MRVPVSSYSA-N 450.426 6.235 50 10 JKGE COc1ccc([C@@H](Br)c2ccc(Br)cc2Cl)cc1Br 109833839 RHPPPZSVJAUHQV-CQSZACIVSA-N 469.398 6.358 50 10 JKGE Brc1cc([C@H](Br)[C@H]2CCCc3ccccc32)sc1Br 128200482 HNMFREVHKQDYGL-SMDDNHRTSA-N 465.048 6.829 50 10 JKGE COc1cc([C@H](Br)c2ccc(Br)c(F)c2)c(OC)cc1Br 134297377 XGUSGDJVGLIXOE-OAHLLOKOSA-N 482.969 5.852 50 10 JKGE Fc1cccc(C[C@H](CBr)c2ccc(Br)cc2)c1Br 157909338 NGFFDNXXNQBPEJ-GFCCVEGCSA-N 450.971 6.072 50 10 JKGE Clc1cc(Br)ccc1C[C@@H](CBr)c1cccc(Br)c1 168956961 BDCTVRPLWSHBCD-LBPRGKRZSA-N 467.426 6.586 50 10 JKGE CCOc1cc(/C=N\NC(=O)c2ccc(N)cc2)ccc1OCc1ccc(Cl)c(Cl)c1 169900203 LEYNRLSKSCAGOV-WKIKZPBSSA-N 458.345 5.317 50 10 JKGE COc1ccc(F)cc1[C@@H](Cl)c1cc(Br)ccc1I 234881812 HZNWSYATZLVKNL-AWEZNQCLSA-N 455.492 5.530 50 10 JKGE Cl[C@H](c1ccc2c(c1)CCCO2)c1cc(I)ccc1Br 236048268 VOIOQBCYZDIMPH-MRXNPFEDSA-N 463.540 5.707 50 10 JKGE COc1ccc(N(C(=O)CCl)[C@H](C(=O)N[C@H]2CCCC[C@H]2C)c2ccccc2Cl)cc1Cl 252586297 OWNHWCJGZBDBJQ-XLHILCRZSA-N 497.850 6.010 50 10 JKGE CC12C[C@@H]3C[C@H](C1)CC([C@H](Br)c1cc(Br)ccc1Br)(C3)C2 252795564 BOMGFRFIMHLBOX-BDJOXKHKSA-N 477.078 7.254 50 10 JKGE COc1ccc(C(=O)Oc2ccc(C=NNC(=O)c3ccc(OCc4ccc(C)cc4)cc3)cc2)cc1 254489474 VLLUFCKUNJPSAU-UHFFFAOYSA-N 494.547 5.566 50 10 JKGE CCOC(=O)c1ccc(-c2ccc(C=NNC(=O)COc3ccc(-c4ccccc4)cc3)o2)cc1 254594356 RWUJCZHPVGTMEO-UHFFFAOYSA-N 468.509 5.319 50 10 JKGE O=C(NN=C1C(=O)N(Cc2ccccc2)c2ccccc21)c1cc(-c2cccs2)nc2ccccc12 254834670 OQPAMTQFGMVTIK-UHFFFAOYSA-N 488.572 5.644 50 10 JKGE Cc1ccc(C(C)C)c(OCCn2c(C)c(C=NNC(=O)c3ccncc3)c3ccccc32)c1 254868275 AOWBHSAMCJNCPP-UHFFFAOYSA-N 454.574 5.619 50 10 JKGE Clc1ccc([C@H](Br)c2cc(I)cc3c2OCC3)s1 310884371 VWKGLTVTFNYPJA-GFCCVEGCSA-N 455.542 5.425 50 10 JKGE Brc1cc2c(c([C@@H](Br)c3sccc3I)c1)OCC2 311243829 YYSNSJZAIPXADL-LLVKDONJSA-N 499.993 5.534 50 10 JKGE Cc1cc(C)c([C@H](Br)c2cc(Cl)ccc2Br)c(C)c1Br 312505841 CUHLRESACRHJJN-MRXNPFEDSA-N 481.453 7.275 50 10 JKGE COc1cc(Br)c([C@H](Br)c2cccc(OCc3ccccc3)c2)cc1OC 312997023 YGJUMYAIEVTORB-JOCHJYFZSA-N 492.207 6.530 50 10 JKGE FC(F)(F)Oc1cccc([C@H](Cl)c2cc(Br)sc2Br)c1 380271956 XXTFTUBQCLEPSX-JTQLQIEISA-N 450.501 6.500 50 10 JKGE ClCCc1nc2cccc(Br)c2n1CCCN(Cc1ccccc1)Cc1ccccc1 697707835 WKCGHWQRPMYOJP-UHFFFAOYSA-N 496.880 6.673 50 10 JKGE C[C@@H]1Cc2cc(Br)cc([C@@H](Br)c3ccccc3Br)c2O1 720055493 XOIDWJRRILICGR-PSLIRLAXSA-N 460.991 6.019 50 10 JKGE Fc1cccc([C@@H](Br)c2ccc(Br)s2)c1I 721672424 LFKZTWORINQDBR-SNVBAGLBSA-N 475.946 5.739 50 10 JKGE O=C(Cl)/C=C\c1ccc(OCc2ccc(Cl)cc2Cl)c(I)c1 1081475955 WPOIIRREPLFSAT-KXFIGUGUSA-N 467.517 5.956 50 10 JKGE COc1cc(C=NNC(=O)c2ccc(Cl)cc2)cc(Br)c1OCc1ccc(F)cc1 1084116876 QQIUZRDWHZNAFM-UHFFFAOYSA-N 491.744 5.593 50 10 JKGE CCOc1cc(C=NNC(=O)c2cc3ccccc3o2)cc(Cl)c1OCc1cccc([N+](=O)[O-])c1 1084321723 IQVNNCXFVDBJDF-UHFFFAOYSA-N 493.903 5.736 50 10 JKGE Cc1cc(C=NNC(=O)Cc2cccc(C(F)(F)F)c2)c(C)n1-c1ccc(Cl)c(C(=O)O)c1 1084358838 BLKGRECGEAXVCJ-UHFFFAOYSA-N 477.870 5.157 50 10 JKGE COc1ccc(-c2nn(-c3ccccc3Cl)c3c2[C@@H](c2cccc(Cl)c2)C(C#N)=C(N)O3)cc1 1865683367 KBKGRPHYYGLNPC-QFIPXVFZSA-N 489.362 6.073 50 10 JKGE CCCn1nc(-c2ccccc2)c2c1OC(N)=C(C#N)[C@H]2c1ccc(N(CC)Cc2ccccc2)cc1 1865706888 HXMBQXQTSXAZEN-HHHXNRCGSA-N 489.623 6.205 50 10 JKGE N#CC1=C(N)Oc2c(c(-c3ccccc3)nn2Cc2ccc(F)cc2)[C@H]1c1ccc(C(F)(F)F)cc1 1865710919 LOWOWOQYZZVQGG-QFIPXVFZSA-N 490.460 5.974 50 10 JKGE COc1ccc(-c2nn(Cc3ccccc3Cl)c3c2[C@@H](c2cccc(F)c2)C(C#N)=C(N)O3)cc1 1865711421 XZNNYOZSIUQRKS-QHCPKHFHSA-N 486.934 5.618 50 10 JKGE CCCc1nc(Nc2ccc(SC#N)cc2)cc(N2CCN(CCc3c[nH]c4ccccc34)CC2)n1 1868388634 MLLGBSQCXJDZNQ-UHFFFAOYSA-N 497.672 5.592 50 10 JKGE CCc1ccc(-c2csc(/C(C#N)=C(\O)CCCN3C(=O)c4cccc([N+](=O)[O-])c4C3=O)n2)cc1 1872744039 FGFBWQNTGYDKOP-UZYVYHOESA-N 488.525 5.150 50 10 JKGE CC(C)[C@H](/C(O)=C(\C#N)c1nc(-c2ccc3c(c2)CCCC3)cs1)N1C(=O)c2ccccc2C1=O 1872745522 REEZGYSBOGTPCY-FOSWXRMZSA-N 483.593 5.802 50 10 JKGE Cc1ccc(-c2csc(/C(C#N)=C(\O)[C@@H](Cc3ccccc3)N3C(=O)c4ccccc4C3=O)n2)cc1 1872749187 GJDFXLOCENLNIM-SPICPHANSA-N 491.572 5.819 50 10 JKGE COc1cc(C)c(-c2csc(/C(C#N)=C(\O)CN3C(=O)c4ccccc4C3=O)n2)cc1C(C)C 1872753780 MLHKCLOGJUAEHY-XDOYNYLZSA-N 473.554 5.339 50 10 JKGE CC[C@H](C)[C@@H](/C(O)=C(\C#N)c1nc(-c2ccc(C)c(C)c2)cs1)N1C(=O)c2ccccc2C1=O 1872756451 KGVFROGIXIOLBB-UABWQIGOSA-N 471.582 5.931 50 10 JKGE COc1cc(Br)cc(/C=C(\C#N)c2nc(-c3cccc([N+](=O)[O-])c3)cs2)c1O 1872782304 CPYVGFLYXGPPLR-WLRTZDKTSA-N 458.293 5.259 50 10 JKGE Cc1csc([C@H](Br)c2sc(Br)c(C)c2Br)c1Cl 1922938252 CWGSJXZLMAMVPU-SSDOTTSWSA-N 479.484 7.089 50 10 JKGE Clc1c(Br)sc(Br)c1[C@H](Cl)[C@H]1CCc2ccccc2C1 1923065823 HUJVVIMOGUQDHT-CMPLNLGQSA-N 455.042 7.012 50 10 JKGE Fc1cc([C@@H](Cl)c2c(Br)sc(Br)c2Cl)c(F)cc1Cl 1923066009 KNTSPOWSMXSDCJ-MRVPVSSYSA-N 471.375 7.186 50 10 JKGE Clc1c(Br)sc(Br)c1[C@H](Cl)c1cc2cscc2s1 1923066222 NCIPOJCIVAXMQD-MRVPVSSYSA-N 463.068 7.531 50 10 JKGE Clc1ccc([C@H](Br)c2c(Br)sc(Br)c2Cl)o1 1923073266 VRQRKIDDXXCTAX-LURJTMIESA-N 469.807 6.657 50 10 JKGE CCC1CC([C@H](Br)c2c(Br)sc(Br)c2Cl)C1 1923074927 UIJSXXPXBLQMRG-QIECLKSESA-N 451.449 6.799 50 10 JKGE C[C@@H]1COC[C@@H]1[C@@H](Cl)c1c(Br)sc(Br)c1Br 1924612247 KRQBUKLLZIKVGU-GLDDHUGJSA-N 453.421 5.598 50 10 JKGE Cl[C@H](c1c(Br)sc(Br)c1Br)[C@@H]1C[C@@H]2CCCC[C@H]21 1924616176 LZMNXCMRVRTSAT-RFOGZPIASA-N 477.487 7.142 50 10 JKGE Cc1ccnc(COc2c(Br)cc(CCl)cc2Br)c1Br 1927018589 FRXUEMKFAKGUGC-UHFFFAOYSA-N 484.413 5.995 50 10 JKGE Fc1ccc([C@@H](Br)c2sc(Cl)cc2Br)c(Br)c1 1948828317 JJHWTPICAZSIMY-SNVBAGLBSA-N 463.391 6.550 50 10 JKGE C[C@@H](CCBr)N(Cc1ccccc1)C(=O)c1ncc(Br)cc1Cl 1983535857 LTDLGADWBNBNLH-LBPRGKRZSA-N 460.597 5.313 50 10 JKGE Cc1cc(Br)c(F)c([C@H](Br)c2cc(C)c(Br)s2)c1 2028925368 YFEPEMDYWXDYRX-NSHDSACASA-N 457.000 6.513 50 10 JKGE CC1(CC(CBr)(CBr)c2ccc(Br)cc2)CSC1 2035385791 VLZFCSPJXZPSED-UHFFFAOYSA-N 457.069 5.620 50 10 JKGE COc1ccc([C@@H](Br)c2scc(C)c2Br)c(Br)c1 2039336401 SLLAAHDNUOWLDN-GFCCVEGCSA-N 455.009 6.074 50 10 JKGE Brc1cc(Br)c([C@H](Br)[C@@H]2CC3(CCCC3)CO2)s1 2047512801 CIAPKTKCPGLQND-GXSJLCMTSA-N 459.041 6.058 50 10 JKGE Fc1ccc(-n2nc(CBr)c(Br)c2C(F)(F)F)nc1C(F)(F)F 2078912222 KBQGZLDDBVBGKR-UHFFFAOYSA-N 470.968 5.101 50 10 JKGE Cc1cc(Cl)c(Br)cc1[C@@H](Cl)c1cnn(C)c1I 2082389669 LUOCBIFFJHKNNS-LLVKDONJSA-N 459.940 5.077 50 10 JKGE Fc1cc([C@@H](Cl)c2cccc(Br)c2Br)c(F)cc1Br 2092327730 DTGGWUOPIYNSNS-ZDUSSCGKSA-N 475.352 6.581 50 10 JKGE CN(c1cc(Br)ccc1CBr)[C@@H]1C[C@@H]2CC[C@H](C1)N2Cc1ccccc1 2094900739 OGVLCKCIVJGAHJ-AERCQKQUSA-N 478.272 5.976 50 10 JKGE Cc1sc(Br)c([C@@H](Br)[C@@H](C)c2ccncc2Br)c1C 2100998792 IEFGXMYHFHBZFE-SDBXPKJASA-N 468.052 6.525 50 10 JKGE COc1ccc([C@@H](Cl)c2cc(I)ccc2F)cc1Br 2113357450 GFMXSNCDIUNRAY-CQSZACIVSA-N 455.492 5.530 50 10 JKGE Fc1cc(Br)cc(F)c1C[C@H](Br)c1ccc(Br)cc1 2113494612 DMZKXEWUMSTJLA-LBPRGKRZSA-N 454.934 6.169 50 10 JKGE CC[C@H](Br)[C@@H]1CCCCN1Cc1cccc(Br)c1Br 2114190842 WVAIECUXXPRKMZ-JSGCOSHPSA-N 454.044 5.740 50 10 JKGE COc1cc(-n2c(Cl)nc(Cl)c2CBr)c(Br)cc1Br 2118820932 PCGSDSMUGUMDBV-UHFFFAOYSA-N 493.808 5.608 50 10 JKGE Cc1cc([C@H](Br)c2cc(Br)c(Cl)cc2C)ccc1Br 2137642883 MUJNDEYRJWCMRI-HNNXBMFYSA-N 467.426 6.966 50 10 JKGE CC(C)C[C@@H](C(C)C)[C@@H](Br)c1cc(I)cc2c1OCC2 2144843209 CZUBBYLXXBPLDL-GOEBONIOSA-N 451.186 5.980 50 10 JKGE C[C@H]1CCC[C@](CBr)(NC(=O)c2cccc(Br)c2Br)C1 2148770499 PBJOEEAMNGROHW-BONVTDFDSA-N 468.027 5.285 50 10 JKGE CCc1ccc(CC)c([C@@H](Br)c2c(Br)cccc2Br)c1 2150495628 YEZKPVONKNTAGV-QGZVFWFLSA-N 461.035 6.821 50 10 JKGE C[C@H](Cl)c1nc2cc(Br)c(Cl)cc2n1[C@H]1CN(Cc2ccccc2)C[C@H]1C 2160077690 AFEWLSQQLHWQFP-CKNLXJGOSA-N 467.238 6.445 50 10 JKGE FC(F)(F)[C@H]1CN(Cc2cc(Br)ccc2Br)C[C@@H]1CBr 2175153192 VMFLMPOJEGBQEN-ONGXEEELSA-N 479.960 5.217 50 10 JKGE F[C@H](COc1c(Br)cc(CBr)cc1Br)C1CCCCC1 2178100258 ATZGRYCWTMELPI-CQSZACIVSA-N 473.018 6.404 50 10 JKGE Cc1cc(Br)c(C)c([C@H](Br)[C@@H]2CC[C@H]3C[C@H]2CO3)c1Br 2201064434 JMNLAQUIYVUKAG-PVTKRXDGSA-N 467.039 6.080 50 10 JKGE Cc1cc(Br)c(C)c([C@H](Br)[C@@H]2[C@H](C)O[C@@H](C)[C@@H]2C)c1Br 2201069595 LOKWLIAXYTWYHD-KHQZGXOXSA-N 469.055 6.324 50 10 JKGE Cc1c(Br)csc1[C@@H](Cl)c1sc(Br)c(C)c1Br 2213774207 LZXQCAUDUJNDJR-MRVPVSSYSA-N 479.484 7.042 50 10 JKGE Cc1sc([C@H](Br)c2cc(Cl)c(Br)cc2F)cc1Br 2218969636 OFPWTINNGLPOKJ-GFCCVEGCSA-N 477.418 6.858 50 10 JKGE Cn1nc([C@H](Br)c2cc(Br)c(Br)cc2F)c(Cl)c1Cl 2225618042 UGINCWWUUQBJJW-MRVPVSSYSA-N 495.799 5.875 50 10 JKGE Cc1cc(Br)c([C@@H](Br)c2cc3c(cc2Br)OCC3)s1 2229329226 JIWWFFXSPOQYEO-ZDUSSCGKSA-N 467.020 6.001 50 10 JKGE Cc1cc([C@@H](Br)c2ccc3c(c2Br)CCO3)oc1Br 2229733532 JVUDANYYVKAMMN-ZDUSSCGKSA-N 450.952 5.532 50 10 JKGE CCOCc1cc(Br)c([C@H](Cl)c2ccc(F)cc2I)s1 2233010846 WNDNRRBMHNPZMD-CYBMUJFWSA-N 489.575 6.119 50 10 JKGE Cc1ccc2nc(CCl)n(-c3ccc(Br)cc3I)c2c1 2240000110 QEEBXKBQDKVXEG-UHFFFAOYSA-N 461.528 5.440 50 10 JKGE COc1ccc([C@H](Br)c2cc(F)c(Br)cc2F)c(Br)c1 2240809802 IFMGSPBJPBCGNL-AWEZNQCLSA-N 470.933 5.983 50 10 JKGE Clc1c(Br)sc(Br)c1[C@H](Cl)c1cc(Br)co1 2244222317 LWASQBXHTYSFDY-ZCFIWIBFSA-N 469.807 6.610 50 10 JKGE CCc1cc([C@@H](Br)c2c(Br)c(C)nn2C)sc1Br 2255979046 JSRGEOFWIVVBBF-SNVBAGLBSA-N 457.029 5.362 50 10 JKGE CCc1cc([C@@H](Br)Cc2ccc(Br)cc2F)sc1Br 2267766612 UKZFKRIHQFVMLU-NSHDSACASA-N 471.027 6.653 50 10 JKGE Brc1cc(Br)cc(C[C@H](Br)[C@@H]2[C@H]3CCCCC[C@H]32)c1 2277953187 ONIIEGCJBIUHHG-XUWVNRHRSA-N 451.040 6.344 50 10 JKGE COc1cc(Br)c([C@@H](Cl)c2scc(Br)c2Cl)cc1OC 2279283326 LKJPUDVAWHFNMX-LLVKDONJSA-N 461.002 6.272 50 10 JKGE Clc1c(Br)csc1[C@H](Cl)c1cc(Br)c2c(c1)CCCO2 2279294979 XJVFVINHCRNZPR-LLVKDONJSA-N 457.014 6.580 50 10 JKGE C=CC[C@]1(CBr)CCCCN1Cc1ccc(Br)cc1Br 2287742223 IGMYXUQPYJMSHR-MRXNPFEDSA-N 466.055 5.907 50 10 JKGE Cc1cc([N+](=O)[O-])ccc1-c1ccc(C=C(C#N)C(=O)Nc2cc(C(F)(F)F)ccc2Cl)o1 2295187730 DLXHLLWMXKDMDC-UHFFFAOYSA-N 475.810 6.381 50 10 JKGE COc1ccc(C[C@H]2SC(=C(C#N)C(=O)Nc3ccc(C)cc3)N(c3ccccc3)C2=O)cc1 2296507175 XDTJMVHKVLZRLS-XMMPIXPASA-N 469.566 5.069 50 10 JKGE Cc1ccc2nc(N3CCOCC3)c(C=C(C#N)c3nc(-c4ccc(Cl)cc4)cs3)cc2c1 2296837807 QYPRUAXKLCCCFU-UHFFFAOYSA-N 473.001 6.221 50 10 JKGE CCOc1c(Br)cc(Br)cc1C=C(C#N)C(=O)Nc1ccc([N+](=O)[O-])cc1 2297491175 NXOPABOZXQVYIW-UHFFFAOYSA-N 495.127 5.064 50 10 JKGE CCOc1cc(C=C(C#N)C(=O)Nc2nc3ccccc3s2)ccc1OCCOc1ccccc1 2297500195 QYAQRJKMBGJJAF-UHFFFAOYSA-N 485.565 5.698 50 10 JKGE Brc1ccc(OCc2ccccc2)c([C@H](Br)C2(CC3CC3)CC2)c1 2299524033 ZSUAMOQDFITULX-FQEVSTJZSA-N 450.214 7.044 50 10 JKGE CCOc1cc(C=C(C#N)C(=O)Nc2cccc(Cl)c2Cl)ccc1OCc1ccccc1 2313570830 HASQEUWKAKSSLK-UHFFFAOYSA-N 467.352 6.517 50 10 JKGE N#CC(=Cc1cc(Cl)ccc1OCc1ccc(Cl)cc1Cl)C(=O)Nc1ccc(F)cc1 2313637843 FLPBENRHEFMEGJ-UHFFFAOYSA-N 475.734 6.911 50 10 JKGE Cc1sc2nc(C(C#N)=Cc3ccc(-c4ccc(Br)cc4)o3)nc(O)c2c1C 2314456933 KHXQWLFQQJVKLE-UHFFFAOYSA-N 452.333 6.100 50 10 JKGE N#CC(=Cc1cccn1-c1ccc([N+](=O)[O-])cc1)c1nc(-c2ccc(Br)cc2)cs1 2314490086 YADLEBQTPUMJDP-UHFFFAOYSA-N 477.343 6.336 50 10 JKGE CCCc1sc(Br)cc1[C@@H](Br)c1c(Br)cnn1C 2316177465 CIJKVYAOQMDDSF-LLVKDONJSA-N 457.029 5.443 50 10 JKGE CC(C)c1ccccc1[C@H](Br)c1sc(Cl)cc1I 2316600157 BHAVNSNMYLQZEC-ZDUSSCGKSA-N 455.586 6.614 50 10 JKGE CN1CCN(c2ccc(NC=C(C#N)C(=O)Nc3ccccc3Sc3ccccc3)cc2)CC1 2325339342 ZBLKXLGODADUGD-UHFFFAOYSA-N 469.614 5.048 50 10 JKGE COC(=O)c1ccc2c(O)nc(C(C#N)=Cc3ccc(OCc4ccccc4C)cc3)nc2c1 2331045489 ZCJWDVYHXHCKFU-UHFFFAOYSA-N 451.482 5.074 50 10 JKGE COc1c(Cl)ccc(Cl)c1C(O)=C(C#N)c1nc(-c2ccc3c(c2)OCCO3)cs1 2331330907 LLVZRMBANKPUES-UHFFFAOYSA-N 461.326 5.847 50 10 JKGE CCc1cccc(C)c1N1C[C@@H](C(O)=C(C#N)c2nc(-c3ccc(OC)c(F)c3)cs2)CC1=O 2331336172 RQUDRFKBGSYVOR-SFHVURJKSA-N 477.561 5.674 50 10 JKGE COc1c(C)cc(Cl)cc1-c1csc(C(C#N)=C(O)c2cccc(Br)c2)n1 2331391759 AWGOADKSWYKWOW-UHFFFAOYSA-N 461.768 6.493 50 10 JKGE COc1ccc(-c2csc(C(C#N)=C(O)c3cccc(Oc4ccccc4)c3)n2)c2ccccc12 2331408284 SOKDSEOZBGVSPV-UHFFFAOYSA-N 476.557 7.714 50 10 JKGE N#CC(=Cc1cc(Br)cc(Br)c1O)c1nc(-c2ccc(Cl)cc2)cs1 2331440065 WXTITVTYYGQHAQ-UHFFFAOYSA-N 496.611 6.758 50 10 JKGE Fc1ccc([C@H](Br)CCc2ccc(Cl)c(I)c2)cc1 2337218646 KUGUKFBCVHLYAJ-CYBMUJFWSA-N 453.520 6.153 50 10 JKGE CCCc1sc(Br)cc1[C@H](Br)c1c(C)cccc1Br 2338021056 NPJBZTMWKWPSGD-HNNXBMFYSA-N 467.064 7.018 50 10 JKGE BrC[C@H](OCc1cccc(I)c1)c1ccc(Br)cc1 2341612592 UPBWFEOJRGUFAH-HNNXBMFYSA-N 495.980 5.707 50 10 JKGE CC(C)(C)[C@@H]1[C@H](Br)CCN1Cc1cc(I)ccc1Cl 2352414591 VUZSQCCIOWSWQU-OCCSQVGLSA-N 456.593 5.329 50 10 JKGE COc1cc(Cl)c([C@H](Cl)c2c(Br)c(Br)nn2C)cc1Cl 2364228166 JMFOAMYCZIXEKA-JTQLQIEISA-N 463.384 5.589 50 10 JKGE COc1c(Br)cc(C)c([C@H](Br)[C@@]23CCCC[C@H]2C3)c1Br 2365187541 BGLVXFWLVBTUOB-CIISACIHSA-N 467.039 6.545 50 10 JKGE CC(C)COc1cccc(C(=O)NNC(=O)c2ccc(NC(=O)c3ccc(C(C)(C)C)cc3)cc2)c1 10280506 XTZQWWMWPDYTJZ-UHFFFAOYSA-N 487.600 5.346 50 10 JKGE CCCCCCOc1ccc(C(=O)NNC(=O)c2ccc(NC(=O)c3ccccc3C)cc2)cc1 14028407 VDZMTQHWHBOXEI-UHFFFAOYSA-N 473.573 5.281 50 10 JKGE CCC(C)(C)c1ccc(OCC(=O)NNC(=O)CCCOc2ccc(Cl)cc2Cl)cc1 14784124 RCTUJLXNCJDJML-UHFFFAOYSA-N 467.393 5.066 50 10 JKGE Cc1cccc([C@@H]2C(C#N)=C(N)OC3=C2S(=O)(=O)N(Cc2ccc(Cl)cc2)c2ccccc23)c1 20132082 RJGKEYWEAQJQRF-HSZRJFAPSA-N 489.984 5.175 50 10 JKGE O=C(C=C(Sc1ccccc1)Sc1ccccc1)N/N=C/c1ccc(Cl)cc1Cl 20527948 YGGBTKSNGFWZDB-MFKUBSTISA-N 459.423 6.870 50 10 JKGE O=C(CSc1nc2ccccc2s1)N/N=C/c1ccccc1OCc1ccccc1F 32520728 OPMPVMCPVKBHPO-DHRITJCHSA-N 451.548 5.257 50 10 JKGE COc1cc(/C=C(/C#N)c2nc(O)c3c4c(sc3n2)CCCC4)ccc1OC(=O)c1ccco1 33367625 IQUOQYPGYGGDMX-PTNGSMBKSA-N 473.510 5.161 50 10 JKGE CCCCSc1ccc(-c2nn(-c3ccccc3)cc2/C=C(\C#N)C(=O)N2CCOCC2)cc1 34737585 LJTCGVBPAYIYGZ-RELWKKBWSA-N 472.614 5.197 50 10 JKGE CC1=C(C#N)C(=O)N(CCc2ccccc2)C(=O)/C1=C/c1cn(-c2ccccc2)nc1-c1ccc(C)cc1 38607511 CYWXJZNWGSCGIR-TURZUDJPSA-N 498.586 5.683 50 10 JKGE C=CCN1C(=O)C(C#N)=C(C)/C(=C\c2cn(-c3ccccc3)nc2-c2ccc(OCC)c(Cl)c2)C1=O 38607660 DENNEIMFPNKTAG-HYARGMPZSA-N 498.970 5.370 50 10 JKGE CCOc1ccccc1C(=O)Oc1ccc2c(c1)OC(N)=C(C#N)[C@H]2c1ccc(Cl)c(Cl)c1 38656077 UVGJGMBWKFLMKI-QHCPKHFHSA-N 481.335 5.829 50 10 JKGE CCCCOc1ccc(NC(=O)c2oc3c(c2C)/C(=N/NC(=O)c2ccccc2C)CCC3)cc1 40811512 PFZZBRQLRJBDHR-JJKYIXSRSA-N 473.573 5.798 50 10 JKGE CCOc1cc(/C=C(\C#N)C(=O)NCc2ccco2)ccc1OC(=O)COc1ccccc1C(C)C 40934731 QVHQUQPWMBOYML-KGENOOAVSA-N 488.540 5.009 50 10 JKGE CCCNC(=O)/C(C#N)=C/c1ccc(OC(=O)CCCOc2cc(C)c(Cl)c(C)c2)c(OC)c1 40948485 WXGIPHAULUQMMP-XSFVSMFZSA-N 484.980 5.163 50 10 JKGE CC(=C/c1ccccc1)/C=N/NC(=O)C(Oc1ccc(Cl)cc1)Oc1ccc(Cl)cc1 48573637 HGICHVTYUULSGK-LPPSTUOPSA-N 455.341 5.983 50 10 JKGE CC(C)(C)c1ccc(C(=O)N/N=C/c2cc(Br)ccc2OC(=O)c2ccccc2)cc1 48573642 WRONWDMVTIQTAD-JVWAILMASA-N 479.374 5.730 50 10 JKGE COc1cc(/C=N/NC(=O)C(c2ccccc2)c2ccccc2)ccc1OCc1ccc(Cl)cc1 59410762 ANXSCMZFYFOYKM-ZCTHSVRISA-N 484.983 6.210 50 10 JKGE O=P(Oc1ccc(P(=O)(c2ccccc2)c2ccccc2)cc1)(c1ccccc1)c1ccccc1 68600693 JZILPFZZHQRDCK-UHFFFAOYSA-N 494.467 5.634 50 10 JKGE C[C@@H]1CCCC[C@H]1NC(=O)[C@@H](c1ccc(Cl)cc1)N(C(=O)CCl)c1cccc(Cl)c1 97914262 FPFZYFWZYWCANV-RBQRDFNRSA-N 467.824 6.001 50 10 JKGE CCCCCCOC(=O)c1ccccc1N/C=C(/C#N)c1nc(-c2cccc([N+](=O)[O-])c2)cs1 102421731 KTOOPWFUJXXCMP-MNDPQUGUSA-N 476.558 6.432 50 10 JKGE Brc1cc([C@@H](Br)c2csc3ccccc23)c(Br)s1 104028839 AXCJCROMUCHEET-GFCCVEGCSA-N 467.045 6.972 50 10 JKGE CCOc1ccc(Br)cc1[C@H](Br)c1cc(F)ccc1Br 109871657 XVUXRCDILZKHMT-OAHLLOKOSA-N 466.970 6.234 50 10 JKGE COc1c(C)cc(Br)c(C)c1[C@@H](Cl)c1ccccc1I 125575449 JDGDQAWEZSLSLX-HNNXBMFYSA-N 465.556 6.007 50 10 JKGE Brc1ccccc1[C@@H](Br)c1ccc(Br)c2ccccc12 127453336 OCVUNWNMGOQMAM-KRWDZBQOSA-N 454.987 6.849 50 10 JKGE COc1cc([C@@H](Cl)c2ccccc2I)c(OC)cc1Br 134292126 QUYAOEHDQXCGHW-HNNXBMFYSA-N 467.528 5.399 50 10 JKGE COc1cc(Br)ccc1[C@H](Br)c1cc(Cl)c(Br)s1 135309442 FQJOVAPJXDXJOH-NSHDSACASA-N 475.427 6.419 50 10 JKGE Clc1ccsc1[C@H](Br)c1cc(Br)sc1Br 163090413 QRZQEDDAMPCYOD-SSDOTTSWSA-N 451.430 6.472 50 10 JKGE CCOc1cc(/C=C2\C(=O)N(Cc3ccc(F)cc3)C(=O)C(C#N)=C2C)ccc1OCCC(C)C 214411157 PSXYRFXWCMBZBC-UCQKPKSFSA-N 476.548 5.442 50 10 JKGE CCOc1ccc([C@H](Cl)c2cc(Br)c(Br)s2)cc1Br 228986493 OGHZGVVXTXGPJD-LBPRGKRZSA-N 489.454 6.763 50 10 JKGE ClCc1nc2cc(Br)ccc2n1-c1ccc(Cl)cc1I 232253097 BKXZDRSXWISRFE-UHFFFAOYSA-N 481.946 5.785 50 10 JKGE O=C(NCc1ccc(CBr)cc1)c1cc(Br)sc1Br 232485964 CQEJPQRFRLXZCU-UHFFFAOYSA-N 468.008 5.098 50 10 JKGE Cc1cc(Br)c([C@H](Cl)c2cc(Br)sc2Br)s1 235823573 RINLIQMMLGRJNR-MRVPVSSYSA-N 465.457 6.734 50 10 JKGE O=[N+]([O-])c1ccc(C[C@@H](Br)c2cc(Cl)ccc2I)cc1 236069275 JIJPVTDVNZVTPZ-CYBMUJFWSA-N 466.500 5.532 50 10 JKGE CCn1c(SCC(=O)NN=Cc2ccc3c(c2)c2ccccc2n3CC)nc2ccccc21 254364335 MJSLKKSPWAKQDN-UHFFFAOYSA-N 455.587 5.426 50 10 JKGE O=C(NN=Cc1ccc(F)cc1)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F 254372484 KQBLPNWJCAAANH-UHFFFAOYSA-N 484.187 5.015 50 10 JKGE COc1cc(C=NNC(=O)CSc2nc3ccccc3s2)ccc1OCc1ccccc1 254480064 DYSVMDJEOKWMBO-UHFFFAOYSA-N 463.584 5.126 50 10 JKGE CCn1c2ccccc2c2cc(NC(=O)C(=O)NN=Cc3c4ccccc4cc4ccccc34)ccc21 254492504 HTHQSTDCJOPYAI-UHFFFAOYSA-N 484.559 6.210 50 10 JKGE C/C(C=NNC(=O)CSc1nnc(-c2ccccc2)n1-c1ccccc1)=C\c1ccccc1 254843979 DXYRRPFOBBRUKD-OIUJJUGWSA-N 453.571 5.232 50 10 JKGE BrCc1c(I)ccc2cc(I)sc12 307114341 BVSMKGBXCKGEKX-UHFFFAOYSA-N 478.918 5.005 50 10 JKGE ClCc1cc(Br)cc(Br)c1OCc1ccc(Br)cn1 311564168 AKNZLCMZSVCMHY-UHFFFAOYSA-N 470.386 5.687 50 10 JKGE FC(F)(F)c1csc([C@@H](Br)c2cccc(Cl)c2Cl)c1Br 380265902 VANRPWCFOMPGEE-QMMMGPOBSA-N 468.947 7.321 50 10 JKGE C[C@H](Cl)c1nc2cc(I)c(F)cc2n1Cc1ccn(Cc2ccccc2)n1 389615021 UIIJHRBSCICMKM-ZDUSSCGKSA-N 494.739 5.373 50 10 JKGE C[C@H](Cl)c1nc2cc(F)c(Br)cc2n1C[C@H]1CCCN1Cc1ccccc1 390553267 ZCYDIDDFYNEHLV-GOEBONIOSA-N 450.783 5.902 50 10 JKGE C[C@H](Cl)c1nc2cc(F)c(Br)cc2n1[C@@H]1C[C@@H](C)N(Cc2ccccc2)C1 398219590 SACFVUAYPYBTIH-IJEWVQPXSA-N 450.783 6.073 50 10 JKGE CC[C@H](CC(F)(F)F)[C@H](Br)c1cc(Br)c(C)cc1Br 402782647 NPBOOJUEPNRRGH-PELKAZGASA-N 466.961 6.935 50 10 JKGE BrCc1cc(Br)c(OC[C@@H]2CC[C@@H]3C[C@@H]3C2)c(Br)c1 403703902 DCTLHLOTYMFHTJ-JLLWLGSASA-N 453.012 5.922 50 10 JKGE N#CSc1ccc(NC(=O)Nc2cccc(C(=O)Nc3ccc(N4CCCCC4)cc3)c2)cc1 586732475 BQOWEDGKYXZDAR-UHFFFAOYSA-N 471.586 6.146 50 10 JKGE CC(C)(C)[Si](C)(C)OCCc1ccccc1[C@H]1CN(CCO[Si](C)(C)C(C)(C)C)CCN1 616601920 VXKVNTKWEFWMIC-XMMPIXPASA-N 478.870 6.219 50 10 JKGE CC(C)(C)OC(=O)Nc1ccccc1[C@H]1CNc2ccccc2N1CCO[Si](C)(C)C(C)(C)C 616686361 ZNJYTNISNVFUQI-XMMPIXPASA-N 483.729 7.029 50 10 JKGE COCc1cc(Br)c([C@H](Cl)c2ccc(Br)cc2Br)s1 688079678 RHCGIMZJSWHLSI-GFCCVEGCSA-N 489.454 6.510 50 10 JKGE CCC(F)(F)C(C)(C)[C@@H](Br)c1cc(Br)c(Br)s1 701163647 MBKQFKGOUKBVPM-QMMMGPOBSA-N 455.000 6.781 50 10 JKGE ClCc1cc(Cl)cc(Br)c1OCc1cccc(Cl)c1Br 708095595 VQBBCVWGOMPZSO-UHFFFAOYSA-N 459.392 6.836 50 10 JKGE Cc1cc(Br)c([C@H](Br)c2cc(Cl)cc(F)c2F)cc1Br 709208845 AFFIBEUOMPKHHS-ZDUSSCGKSA-N 489.379 6.936 50 10 JKGE Fc1cc(C[C@H](CBr)Cc2ccccc2Br)ccc1Br 722017736 UHWDDAKXQVNBBS-LBPRGKRZSA-N 464.998 6.147 50 10 JKGE COc1cc(C=NNC(=O)CC[C@H](O)c2ccccc2)ccc1OCc1cccc2ccccc12 1084272517 URIPJNRMRZHCJG-SANMLTNESA-N 468.553 5.391 50 10 JKGE CC(C)(C)c1ccc(OCC(=O)NN=Cc2cccc(C(F)(F)F)c2)c(Br)c1 1084298128 NFTKCLFYBVSTLR-UHFFFAOYSA-N 457.290 5.295 50 10 JKGE COc1cc(C=NNC(=O)c2ccncc2)cc(Br)c1OCc1cccc2ccccc12 1084519249 GHTCEVJSDDETHN-UHFFFAOYSA-N 490.357 5.349 50 10 JKGE COc1cc(/C=C(\C#N)C(=O)Nc2cccc(Cl)c2Cl)c(Br)c(Cl)c1O 1084599901 CVSFEKPVYSRYHW-WEVVVXLNSA-N 476.541 5.669 50 10 JKGE CCCCCCCCOc1ccc(C=NNC(=O)c2cc(C(=O)OCC)c(C)nc2C)cc1OC 1772721621 HJVVZKUFRHHYLB-UHFFFAOYSA-N 483.609 5.387 50 10 JKGE Cc1c(C(=O)Nc2cccc3ncccc23)oc2c1C(=NNC(=O)c1ccc3ccccc3n1)CCC2 1772751097 HVNNNYZTCURDLY-UHFFFAOYSA-N 489.535 5.407 50 10 JKGE CCCCCOc1ccc([C@H]2C(C#N)=C(N)Oc3c2c(CCC)nn3-c2ccc(C)cc2)cc1 1865690441 RCVLEJNYLHJXEY-VWLOTQADSA-N 456.590 5.920 50 10 JKGE COc1cc([C@@H]2C(C#N)=C(N)Oc3c2c(C)nn3CC(C)C)ccc1OCc1ccc(Cl)cc1 1865700829 FJIITDXSSCZYLH-XMMPIXPASA-N 478.980 5.307 50 10 JKGE CCCOc1ccccc1[C@H]1C(C#N)=C(N)Oc2c1c(-c1ccc(OC)cc1)nn2-c1ccc(C)cc1 1865703175 OZELXBNQOSBCMR-SANMLTNESA-N 492.579 5.863 50 10 JKGE N#CC1=C(N)Oc2c(c(C(F)(F)F)nn2-c2ccc(Cl)c(Cl)c2)[C@H]1c1cccc(F)c1 1865710628 CVMYOSOVHDCFFD-HNNXBMFYSA-N 469.225 5.555 50 10 JKGE CCC[C@@H](NC(=O)C[C@H](c1ccccc1)c1cccc(F)c1)C(=O)Nc1ccc(SC#N)cc1 1866776337 MNMXRCXHDGFKLJ-JWQCQUIFSA-N 475.589 5.844 50 10 JKGE COc1cccc([C@H](C)CC(=O)N[C@@H](Cc2ccccc2)C(=O)Nc2ccc(SC#N)cc2)c1 1867110683 KFSDZTXELZJCOH-CLOONOSVSA-N 473.598 5.128 50 10 JKGE C[C@H](NC(=O)C[C@@H](c1ccccc1)c1ccc(F)c(F)c1)C(=O)Nc1ccc(SC#N)cc1 1867117360 PMJGUDLACBXIHE-KKSFZXQISA-N 465.525 5.203 50 10 JKGE Cc1ccccc1-c1nc(Nc2ccc(SC#N)cc2)cc(N2CCC(N3CCCCCC3)CC2)n1 1868301473 PHZNAIMVBJWIFV-UHFFFAOYSA-N 498.700 6.614 50 10 JKGE COc1ccc(C/C(O)=C(\C#N)c2nc(-c3ccc(-c4ccccc4)cc3)cs2)cc1OC 1872743898 RRGPTIRHJLIHPK-GYHWCHFESA-N 454.551 6.530 50 10 JKGE CCOc1ccc(/C=C/C(O)=C(\C#N)c2nc(-c3cccc(Br)c3)cs2)cc1 1872745825 FHRGKKCOKRRFMP-KFSJQVJISA-N 453.361 6.477 50 10 JKGE CSCC[C@H](/C(O)=C(\C#N)c1nc(-c2ccc(C)cc2)cs1)N1C(=O)c2ccccc2C1=O 1872749281 JSEDVDFKTLQCIS-DQVIVYRFSA-N 475.595 5.329 50 10 JKGE N#C/C(=C(O)\C=C\c1ccc(OCc2ccccc2Cl)cc1)c1nc(-c2ccc(F)cc2)cs1 1872752363 YZGHQOVSYAGQLT-YJXMDDLCSA-N 488.971 7.688 50 10 JKGE COc1ccc(OC/C(O)=C(\C#N)c2nc(-c3cc(C)cc(C)c3OC)cs2)c(C(C)(C)C)c1 1872754765 HQCSLUUYXVPHSN-ATJXCDBQSA-N 478.614 6.613 50 10 JKGE CCOc1ccc(-c2csc(/C(C#N)=C(\O)c3cc([N+](=O)[O-])c(C)c([N+](=O)[O-])c3)n2)c(OCC)c1 1872755370 KFDQZRQXNWTFBL-XLNRJJMWSA-N 496.501 5.682 50 10 JKGE COc1ccc(C/C(O)=C(\C#N)c2nc(-c3cc(Cl)c(OC)c(Cl)c3)cs2)c(OC)c1 1872755705 AVNWPARHZKUDRI-CYVLTUHYSA-N 477.369 6.178 50 10 JKGE CCCCCCOc1ccc(/C(O)=C(\C#N)c2nc(-c3cc(Cl)cc(C)c3OC)cs2)cc1 1872757043 OAIACFBGUTVXME-GYHWCHFESA-N 483.033 7.690 50 10 JKGE COc1cc(/C=C/C(O)=C(\C#N)c2nc(-c3c(C)cc(C)cc3C)cs2)cc(OC)c1OC 1872757214 VCTGOICQOUGAKL-BQTOGIIBSA-N 462.571 6.267 50 10 JKGE CCCCOc1ccc(/C=C(\C#N)c2nc(-c3cc(OC)ccc3OC)cs2)cc1OCC 1872791550 LRZYODFORRRWTO-CPNJWEJPSA-N 464.587 6.469 50 10 JKGE CC[C@@H](Br)CN(Cc1ccccc1)C(=O)c1ccc(Cl)c(Br)c1 1915077336 VCNZYTGUFKQYMD-OAHLLOKOSA-N 459.609 5.918 50 10 JKGE COc1ccc(Br)cc1[C@H](Cl)c1sc(Br)c(C)c1Br 1922897902 QPKASQRFCWYEBU-NSHDSACASA-N 489.454 6.681 50 10 JKGE COc1cc([C@@H](Br)c2sc(Br)cc2Br)ccc1F 1922947114 YPIIFOJPFQQNRK-LLVKDONJSA-N 458.972 5.905 50 10 JKGE O=C(N[C@@H](CBr)CC1CCCC1)c1ccc(Br)cc1Br 1926738016 WPZQAMDNYCTQIK-GFCCVEGCSA-N 468.027 5.285 50 10 JKGE Clc1cc([C@@H](Br)c2c(Cl)sc(Br)c2Cl)sc1Cl 1950178289 SJLJCKLWCJWZMF-RXMQYKEDSA-N 475.869 7.670 50 10 JKGE Cc1cc(Br)c(CBr)c(N(C)[C@@H]2CC[C@H]2OCc2ccccc2)c1 2005455770 JMUVGLPDUYJIOA-UYAOXDASSA-N 453.218 5.836 50 10 JKGE CCn1cc(Br)c([C@@H](Br)c2sc(Cl)cc2Br)n1 2010561542 KPXYZJBDGOFXPO-MRVPVSSYSA-N 463.420 5.627 50 10 JKGE CC(F)(F)C1([C@H](Br)c2sc(Br)cc2Br)CCC1 2016006033 YKRXHBPNFLIQHV-SECBINFHSA-N 452.984 6.535 50 10 JKGE CS(=O)(=O)c1csc([C@@H](Br)c2cc(Br)sc2Br)c1 2032179130 PSJXAWYLVDQCSN-VIFPVBQESA-N 495.077 5.222 50 10 JKGE Cc1csc([C@H](Br)c2cc(F)c(Br)cc2F)c1Br 2039336283 QRBZOEFLLHWMNO-LLVKDONJSA-N 460.963 6.344 50 10 JKGE CC(C=NNC(=O)c1cc(-c2ccc(OCc3ccccc3Cl)cc2)[nH]n1)=Cc1ccccc1 2040470358 WBNFWSNJGKAXBF-UHFFFAOYSA-N 470.960 6.128 50 10 JKGE Brc1cc(Br)c([C@@H](Br)[C@H]2CCCCC23CCC3)s1 2053387444 RQEWBOUQWOOMEJ-SKDRFNHKSA-N 457.069 7.070 50 10 JKGE C[C@@H](c1cccs1)N(Cc1ccccc1)S(=O)(=O)c1ccsc1CBr 2059323104 FAFPIFLCWMINHB-AWEZNQCLSA-N 456.452 5.657 50 10 JKGE COC[C@@H]1CC[C@H]([C@@H](Br)c2c(Br)sc(Br)c2Cl)C1 2061291365 CZXYPALWPBJCKT-BKPPORCPSA-N 481.475 6.425 50 10 JKGE FC[C@]12C[C@]([C@H](Cl)c3c(Br)sc(Br)c3Br)(CO1)C2 2082593625 FYNAVLGLSODREF-AVPPRXQKSA-N 483.422 5.834 50 10 JKGE COc1cc(F)c([C@@H](Br)c2ccsc2Br)cc1Br 2082783172 XNYQDMXDWRBPQT-NSHDSACASA-N 458.972 5.905 50 10 JKGE Cc1ccc(Br)cc1[C@H](Br)c1cc(Br)c(Cl)cc1F 2097833999 HSNFYTRXVRXTJD-AWEZNQCLSA-N 471.389 6.797 50 10 JKGE CN(Cc1cc(Cl)ccc1I)[C@@H]1CCCCC[C@@H]1Br 2115933838 MWYVESCTFPPVMJ-DZGCQCFKSA-N 456.593 5.473 50 10 JKGE CCCOc1ccc([C@@H](Cl)c2cc(I)sn2)cc1Br 2120031237 HOEDFBHLSRRIMH-CYBMUJFWSA-N 472.573 5.627 50 10 JKGE BrCc1cc(Br)cc(Br)c1OC[C@@H]1[C@H]2[C@H]3C[C@@H]1C[C@H]32 2134440906 KCAAXUHHDPVWOD-AGZRHBRWSA-N 450.996 5.387 50 10 JKGE Cc1c(F)ccc([C@H](Br)c2c(Br)cccc2Br)c1C 2138887706 HIKDTIYYRCQVEM-HNNXBMFYSA-N 450.971 6.452 50 10 JKGE Cc1c(F)ccc([C@@H](Br)c2ccc(Br)cc2Br)c1C 2138891590 UIXZYKQWKGYWEV-OAHLLOKOSA-N 450.971 6.452 50 10 JKGE COc1cc(Br)c(C)cc1[C@H](Br)c1cc(Br)ccc1F 2145958110 SUFRFQCBWMMHFY-OAHLLOKOSA-N 466.970 6.152 50 10 JKGE CC1(C)CC[C@@H](CBr)N(C(=O)c2cccc(Br)c2Br)C1 2148753791 SOXDXLZSCLBMFE-JTQLQIEISA-N 468.027 5.237 50 10 JKGE CC[C@H](C)c1ccc([C@H](Br)c2c(Br)cccc2Br)cc1 2150495301 WKRPDSRIAMPGIX-GTNSWQLSSA-N 461.035 7.209 50 10 JKGE CN(C[C@H](Br)C1CCCC1)C(=O)c1cccc(Br)c1Br 2167644164 VKCHBXVYMYFWPJ-ZDUSSCGKSA-N 468.027 5.237 50 10 JKGE Cc1c(Br)sc([C@@H](Br)C2(C(F)(F)F)CCCCC2)c1Br 2173211929 FVBQRVILOWDGNN-SNVBAGLBSA-N 499.028 7.530 50 10 JKGE Fc1ccc(I)cc1[C@@H](Br)c1ccc(-c2cccs2)s1 2205863783 XASJFKYQLMKNRN-OAHLLOKOSA-N 479.177 6.705 50 10 JKGE COc1sc([C@@H](Cl)c2cc(C)ccc2I)cc1Br 2224056370 WNBYESMUZANZLR-LBPRGKRZSA-N 457.558 5.760 50 10 JKGE C[C@@H](Cl)c1nc2c(Br)cccc2n1C[C@H]1CC1(Br)Br 2224804967 LVWGJDZAVYPGBM-HTQZYQBOSA-N 471.418 5.605 50 10 JKGE COCc1cc(Br)c([C@@H](Br)c2sc(C)c(Br)c2C)s1 2226076916 WIIHDDOABDLDIA-NSHDSACASA-N 489.092 6.582 50 10 JKGE Fc1ccccc1C(CBr)(CBr)Cc1cscc1Br 2227115225 JOTXCRUXDVGDRQ-UHFFFAOYSA-N 471.027 5.920 50 10 JKGE Cc1cc(Br)c([C@H](Br)[C@H]2C[C@@H]2C(C)(C)C)c(C)c1Br 2227360570 UDATURONYXJLIJ-ZIBATOQPSA-N 453.056 6.947 50 10 JKGE CC1([C@H](Br)c2c(Br)cc(Cl)c(Cl)c2Cl)CCCCCC1 2232512345 NJXHAXDJSQXOSO-CQSZACIVSA-N 463.468 8.206 50 10 JKGE FC(F)c1cscc1[C@@H](Br)c1c(Br)cc(Cl)c(Cl)c1Cl 2232520462 OUMBHTXNRDYWQV-SECBINFHSA-N 485.402 7.893 50 10 JKGE Clc1cccc([C@H](CBr)OCCOCCOCCOCc2ccccc2)c1 2236088415 HAQZJEDTCKNCHN-NRFANRHFSA-N 457.792 5.043 50 10 JKGE Cc1sc([C@@H](Br)c2cc(Cl)c(Cl)c(Cl)c2Cl)c(Br)c1C 2237630356 UUBADSNYUBZOPZ-VIFPVBQESA-N 497.894 8.225 50 10 JKGE CC1CC2(C1)CC([C@H](Cl)c1c(Br)sc(Br)c1Br)C2 2259482059 ZXOZRAMPFBZNOI-WGKVOOBSSA-N 477.487 7.142 50 10 JKGE Cc1cc([C@H](Br)c2cc3sc(Br)cc3s2)oc1Br 2263634052 OVXUKFTZGLJHFP-NSHDSACASA-N 471.033 6.874 50 10 JKGE Cc1cc(Cl)c(Cl)cc1[C@H](Br)c1cc(Br)ccc1Br 2264368742 NATGGONVEIDAQG-AWEZNQCLSA-N 487.844 7.311 50 10 JKGE COC1([C@@H](Br)c2c(Br)cc(Cl)c(Cl)c2Cl)CC(C)C1 2266351859 WQROTEKNOJTSKE-BZCBFNEHSA-N 451.413 6.660 50 10 JKGE COc1ccc([C@H](Br)c2ccc(F)c(Cl)c2)cc1I 2269546322 SENGOLSYJWJQOX-CQSZACIVSA-N 455.492 5.577 50 10 JKGE COc1ccc([C@@H](Br)c2c(Br)nn(C)c2C)c(Br)c1Cl 2283553299 PIFYVYDAYVXURX-SNVBAGLBSA-N 487.417 5.400 50 10 JKGE COc1ccc([C@H](Cl)c2c(Br)sc(C)c2C)c(Br)c1Cl 2283559705 PLVUAJRPZBKGCT-LBPRGKRZSA-N 459.030 6.880 50 10 JKGE Cc1ccc(N2C(=O)[C@H](Cc3ccccc3Cl)SC2=C(C#N)C(=O)NCc2ccccc2)cc1 2293038484 GNMXMVJQJIXGAG-DEOSSOPVSA-N 488.012 5.391 50 10 JKGE N#CC(=Cc1cn(Cc2ccc(Cl)c(Cl)c2)c2ccccc12)C(=O)NC[C@H]1CCCO1 2294168613 VKVLUHUEMZZPIV-LJQANCHMSA-N 454.357 5.199 50 10 JKGE COc1c([C@H](Br)[C@H]2C[C@H](Br)C2)cc(Br)c2ccccc12 2294769381 ZKHJSEGNFKKALL-IQMDTDKHSA-N 463.007 6.220 50 10 JKGE N#CC(C(=O)Nc1ccc(Cl)cc1)=C1S[C@@H](Cc2ccccc2)C(=O)N1c1ccccc1 2295987692 RXJIQXNHXXVKOX-QFIPXVFZSA-N 459.958 5.405 50 10 JKGE N#CC(=Cc1c(Oc2ccc(Cl)cc2)nc2ccccn2c1=O)S(=O)(=O)c1ccc(Cl)cc1 2296721805 ZABHLCXDKQMPTB-UHFFFAOYSA-N 498.347 5.132 50 10 JKGE N#CC(=Cc1ccc(C(F)(F)F)cc1)c1ccc(Oc2ccc(C(F)(F)F)cc2[N+](=O)[O-])cc1 2297563484 BJKCXFBGZPFNHL-UHFFFAOYSA-N 478.348 7.489 50 10 JKGE C[C@]1([C@@H](Br)c2ccc(OCc3ccccc3)cc2Br)CCCOC1 2299499207 YAYAIKHDTFLABC-PMACEKPBSA-N 454.202 6.281 50 10 JKGE CCOc1cc(C=C(C#N)C(=O)Nc2cc(C)ccc2C)ccc1OCc1ccc(Cl)cc1 2313560633 ALSBGKATSIQKPC-UHFFFAOYSA-N 460.961 6.480 50 10 JKGE Cc1cc(C)cc(Oc2nc3c(C)cccn3c(=O)c2C=C(C#N)C(=O)Nc2ccccc2Cl)c1 2314534026 WIJWRLWJVFTOMV-UHFFFAOYSA-N 484.943 5.611 50 10 JKGE Cc1cccc(NC(=O)C(C#N)=C2S[C@@H](Cc3ccccc3C)C(=O)N2c2ccc(C)c(C)c2)c1 2314592677 ZYZWCEWWAYLVSR-SANMLTNESA-N 481.621 5.985 50 10 JKGE CCCCc1ccc(C[C@@H]2SC(=C(C#N)C(=O)NC)N(c3ccc(C(C)C)cc3)C2=O)cc1 2314593996 XGYFJKULUVSIQI-DEOSSOPVSA-N 461.631 5.325 50 10 JKGE Fc1c(Br)cc(Cl)c([C@@H](Br)[C@H]2CC[C@@H]3C[C@H]23)c1Br 2315441308 FXKQCHFQNMXTIA-WDOVLDDZSA-N 461.394 6.486 50 10 JKGE COc1cc(NC=C(C#N)C(=O)Nc2ccc(Cl)c(C(F)(F)F)c2)c(OC)cc1Cl 2325384968 HKXWYPYLWSPICW-UHFFFAOYSA-N 460.239 5.487 50 10 JKGE COc1ccc(-c2csc(C(C#N)=C(O)[C@@H](CC(C)C)N3C(=O)c4ccccc4C3=O)n2)cc1 2331273715 PDIJKXNBSLCPDZ-JOCHJYFZSA-N 473.554 5.322 50 10 JKGE N#CC(=C(O)Cc1ccc(Br)cc1)c1nc(-c2ccc3c(c2)OCCO3)cs1 2331329893 SKQDSDNFJXQROZ-UHFFFAOYSA-N 455.333 5.379 50 10 JKGE N#CC(=C(O)C=Cc1ccc(Cl)c(Cl)c1)c1nc(-c2ccc3c(c2)OCCO3)cs1 2331331088 SHGDKEFWFZDHIV-UHFFFAOYSA-N 457.338 6.394 50 10 JKGE CCOc1cc(C=C(C#N)c2nc(-c3cc(C(C)(C)C)ccc3C)cs2)cc(Br)c1O 2331478487 OGJPKBVTIWREAN-UHFFFAOYSA-N 497.458 7.347 50 10 JKGE COc1c(Cl)cc(-c2csc(C(C#N)=Cc3c(Cl)cccc3Cl)n2)cc1Cl 2331480268 CFRKXPPEPPSVGK-UHFFFAOYSA-N 456.181 7.496 50 10 JKGE Cc1c(Br)ccc([C@@H](Br)[C@@H]2C[C@@H]3O[C@H]2[C@H]2C[C@@H]32)c1Br 2333147538 YQQDJHCRMNHKPQ-QYJMVKPOSA-N 450.996 5.379 50 10 JKGE Cc1cc([C@H](Cl)c2ccc(OCc3ccccc3)cc2Br)cc(C)c1Br 2336042590 AQAAYFXSHXBLPU-QFIPXVFZSA-N 494.654 7.736 50 10 JKGE Clc1cc(I)c([C@H](Br)[C@@H]2C[C@@H]2C2CCCCCC2)s1 2338557101 RZVJVEGGOSXLBY-JTNHKYCSSA-N 473.645 7.049 50 10 JKGE COc1c(Br)cc(C)c([C@@H](Br)[C@@]23C[C@H](C)[C@@H]2C3)c1Br 2339657101 UWNFIJQRMJGGES-PVFTVIPPSA-N 453.012 6.011 50 10 JKGE Cc1c(Br)sc([C@@H](Cl)c2c(Cl)cc(F)cc2Cl)c1Br 2340797014 BZVLYFBMCANYID-JTQLQIEISA-N 467.412 7.356 50 10 JKGE Clc1ccc(I)cc1CN1CC[C@@]2(CCC[C@@H]2Br)C1 2352421936 QWGCVMYHYYDOOS-GJZGRUSLSA-N 454.577 5.084 50 10 JKGE Cc1c(Br)ccc([C@H](Br)[C@@H]2[C@@H]3[C@H]2CCCC3(F)F)c1Br 2358115172 UMDXAPFNTAZJMQ-FNYBSCSFSA-N 472.993 6.637 50 10 JKGE Fc1cc(Cl)c(Br)c(Cl)c1[C@@H](Br)CC1CC(C(F)F)C1 2360480581 BVAXIXKODCBAEP-AHXFUIDQSA-N 454.939 7.012 50 10 JKGE Brc1cc(OCc2ccccc2)ccc1[C@H](Br)[C@H]1C[C@@H]1C1CCCCCC1 2361200660 LNIMGOVUDOWDSM-GPXNEJASSA-N 492.295 8.071 50 10 JKGE Fc1c(Br)cc(Cl)c([C@@H](Br)C[C@H]2CCCC2(F)F)c1Br 2362222390 BJWYJNUYRMFTCA-RQJHMYQMSA-N 499.390 7.266 50 10 JKGE CC(C)[C@H](NC(=O)OC(C)(C)C)c1csc(NC(=O)[C@@H](Br)C2CCCC2)n1 2362644438 DXKDKSPWTFZYQB-GJZGRUSLSA-N 460.438 5.257 50 10 JKGE Cc1ccc(Br)cc1[C@@H](Cl)c1c(C)cc(Br)c(F)c1Br 2365224016 SXXQLQVZKTTXME-CQSZACIVSA-N 485.416 7.058 50 10 JKGE COc1c(Br)cc(C)c([C@H](Br)c2ccc(F)cc2)c1Br 2365233130 STVLQQLWQGQVKB-CYBMUJFWSA-N 466.970 6.152 50 10 JKGE FC(F)(F)[C@@H]1C[C@@H](Br)CCN1Cc1ccc(Cl)cc1I 2366713724 BKXZQXDPGDJYQY-CABZTGNLSA-N 482.509 5.235 50 10 JKGE CC[C@H](Oc1ccccc1[C@@H](C)CC)C(=O)NNC(=O)c1ccc(NC(=O)c2ccccc2C)cc1 10683380 XUNKTKDINSUBJJ-DFBJGRDBSA-N 487.600 5.379 50 10 JKGE O=C(CCCOc1ccc(Cl)cc1Cl)N/N=C/c1cccc(OCc2ccccc2)c1 12577675 VHWUZPXAVASRTJ-JVWAILMASA-N 457.357 5.882 50 10 JKGE CCc1cccc(CC)c1N/C(SCc1ccccc1Cl)=C(/C#N)S(=O)(=O)c1ccccc1 20325455 YEHLZEVKAKKBFO-SHHOIMCASA-N 497.085 6.977 50 10 JKGE Cc1ccc(N[C@H](C)C(=O)N/N=C/c2ccccc2OCc2ccc(Br)cc2)cc1 27528086 CKAQJKIPBYANPW-GTPWMTBTSA-N 466.379 5.287 50 10 JKGE N#C/C(=C/c1ccc(-c2ccccc2Br)o1)c1nc2ncc(Br)cc2[nH]1 33632654 VBDFDLBFABPOGI-XFFZJAGNSA-N 470.124 5.807 50 10 JKGE N#C/C(=C\c1ccc(Cl)cc1Cl)c1nc(CSc2ncc(C(F)(F)F)cc2Cl)n[nH]1 33733590 SOVODEDUQXQASS-XCVCLJGOSA-N 490.725 6.535 50 10 JKGE ClCc1csc(CCOc2c(Br)cc(Br)cc2Br)n1 36805124 HFEXHXDHGRVJLS-UHFFFAOYSA-N 490.442 5.791 50 10 JKGE CCCOc1ccc(-c2nn(-c3ccccc3)cc2/C=C2/C(=O)N(C(C)C)C(=O)C(C#N)=C2C)cc1 38604340 JJJFRXAUSPOADZ-PCLIKHOPSA-N 480.568 5.329 50 10 JKGE CCCOc1cccc(C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@H]3c2ccc(C(C)(C)C)cc2)c1 38649837 CCOMJFMZEOWGGO-MHZLTWQESA-N 482.580 6.210 50 10 JKGE C=CCOc1ccc(C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@@H]3c2cccc(OCC)c2)cc1 38684919 KACUDTXVTQWAHX-AREMUKBSSA-N 468.509 5.087 50 10 JKGE C=CCOc1cccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4cccc(OCC)c4)ccc32)c1 40529896 XZNROPSZHBVRNW-AREMUKBSSA-N 468.509 5.087 50 10 JKGE Cc1c(C(=O)Nc2ccc(Cl)cc2Cl)oc2c1/C(=N/NC(=O)c1ccc(O)cc1)CCC2 40812006 IRWKFDFTBXCRRS-OVVQPSECSA-N 472.328 5.323 50 10 JKGE Cc1cc2nc(/C(C#N)=C\c3ccc(OCC(=O)Nc4ccc(F)cc4F)cc3)[nH]c2cc1C 50568522 QCXCAZOXSFOJJF-WQRHYEAKSA-N 458.468 5.540 50 10 JKGE COc1cc(OC)c(/C=N/NC(=O)c2ccc(-n3c(C)ccc3-c3ccccc3)cc2)c(OC)c1 59680100 NSRSXZSFTPBIOV-RDRPBHBLSA-N 469.541 5.242 50 10 JKGE COc1ccc([C@H](C(=O)NC2CCCCC2)N(CCc2ccccc2Cl)C(=O)CCl)cc1 97914315 MMOIBEFUPAWLTR-XMMPIXPASA-N 477.432 5.149 50 10 JKGE COc1c(Br)cc(Cl)cc1[C@@H](Cl)c1cc(Br)ccc1Cl 109794703 WAORHFVWWYTTEQ-ZDUSSCGKSA-N 459.392 6.855 50 10 JKGE COc1c(Br)cc(Cl)cc1[C@H](Br)c1ccc(F)cc1Br 109836369 AUTRONOQMGJUBN-CYBMUJFWSA-N 487.388 6.497 50 10 JKGE Brc1ccc(Br)c([C@H](Br)c2cc3ccccc3s2)c1 109844483 UBNVEDXFPFTCLG-HNNXBMFYSA-N 461.016 6.911 50 10 JKGE Cc1cc(Br)c([C@H](Br)c2ccc(F)cc2Cl)cc1Br 128811466 PQPADFRLPGYBQF-CQSZACIVSA-N 471.389 6.797 50 10 JKGE CCOc1ccc([C@H](Br)c2cc(C)cc(Br)c2)c(Br)c1 132019926 MVBZYQWRKATZIN-MRXNPFEDSA-N 463.007 6.403 50 10 JKGE Cc1cc([C@@H](Br)c2cc(Br)ccc2Br)c(C)cc1Cl 161105669 KMQWMOHWMPPUBO-OAHLLOKOSA-N 467.426 6.966 50 10 JKGE CC(C)C1CCC(CI)(OCc2cccc(Br)c2)CC1 162539822 NSJBHBYUMRJCNO-UHFFFAOYSA-N 451.186 5.986 50 10 JKGE Cc1ccc([C@@H](Cl)c2cc(Br)c(Br)s2)c(Br)c1 163922069 BQPDACKCGCVSPU-LLVKDONJSA-N 459.428 6.672 50 10 JKGE Cc1cc(C)c(N/C=C(/C#N)C(=O)N2CCN(C(c3ccccc3)c3ccccc3)CC2)c(Cl)c1 216506048 CDSIIZALGLPSIO-QQTULTPQSA-N 485.031 5.710 50 10 JKGE CCCCOC(=O)c1ccccc1N/C=C(/C#N)C(=O)Nc1ccccc1C(=O)OCCCC 217240368 XAYJGQSNIPYKHH-HNENSFHCSA-N 463.534 5.058 50 10 JKGE CCOc1ccc([C@@H](Br)c2ccc(OC)c(Br)c2)cc1Br 228996514 NHTLMBDSZMPBKX-INIZCTEOSA-N 479.006 6.103 50 10 JKGE BrCC(CBr)(COCc1ccccc1)c1ccc(Br)cc1 230091427 VWINALVFIZUWKD-UHFFFAOYSA-N 477.034 5.694 50 10 JKGE COC(C)(C)CCC(CBr)(CBr)c1ccc(Br)cc1 230928099 MZTISBMEWJRKTF-UHFFFAOYSA-N 457.044 5.682 50 10 JKGE BrCc1ccc(Oc2cccc(I)c2)c(Br)c1 232487057 KYODDWLNPALTNI-UHFFFAOYSA-N 467.926 5.741 50 10 JKGE COCCc1ccc([C@@H](Br)c2ccc(Br)cc2Br)cc1 234695047 FYKPOHIHEQOHPI-MRXNPFEDSA-N 463.007 5.885 50 10 JKGE FC(F)(F)COCCCOc1c(Br)cc(CBr)cc1Br 236109777 AETDSIHMWUIAGM-UHFFFAOYSA-N 484.932 5.454 50 10 JKGE CC(C)(C)[Si](C)(C)OC[C@@H]1OC=C[C@H](O[Si](C)(C)C(C)(C)C)[C@@H]1O[Si](C)(C)C(C)(C)C 247501012 FMXIGEXRLSNRMR-ACRUOGEOSA-N 488.934 7.702 50 10 JKGE COc1cccc(C=NNC(=O)COc2ccc(Cl)cc2)c1OCc1cccc(Cl)c1 252590666 AUGDSSLIAHKVBF-UHFFFAOYSA-N 459.329 5.110 50 10 JKGE CCOc1cc(C=NNC(=O)Cc2cccc3ccccc23)ccc1OC(=O)c1ccc([N+](=O)[O-])cc1 254297363 PHMWSPLVWRQBBE-UHFFFAOYSA-N 497.507 5.059 50 10 JKGE Cc1ccc(-c2nnc(SCC(=O)NN=C/C=C\c3ccccc3)n2-c2ccc(C)cc2)cc1 254301000 YNCHUQRHMXGLBF-ILQNFELRSA-N 467.598 5.459 50 10 JKGE CCC(=NNC(=O)c1cc(-c2ccc(Cl)cc2)nc2ccc(Cl)cc12)c1cccc(Cl)c1 254833114 ILVDUOASRYABPO-UHFFFAOYSA-N 482.798 7.406 50 10 JKGE CCCCCCCCCCCC(=O)NCC(=O)NN=Cc1ccc(OCc2ccc(C)cc2)cc1 254839572 ATAGLNUFSHTKCA-UHFFFAOYSA-N 479.665 6.061 50 10 JKGE CC(C)C[C@@H](C)CC(CBr)(CBr)c1ccc(Br)cc1 302414348 SWWSFAIOGCKDPO-CYBMUJFWSA-N 455.072 6.549 50 10 JKGE Cc1ccc2nc(CCl)n(-c3ccc(I)cc3Br)c2c1 312266337 MUVZPIOUCZOTOS-UHFFFAOYSA-N 461.528 5.440 50 10 JKGE C[C@@H]1C[C@H](n2c(CCl)nc3cc(F)c(Br)cc32)CCN1Cc1ccccc1 379605925 JFSYYPQGLFAUAP-GDBMZVCRSA-N 450.783 5.902 50 10 JKGE Cc1cccc(Br)c1[C@H](Br)c1cc(Br)c(Cl)s1 383932099 CAOPADBIJTVIMZ-LLVKDONJSA-N 459.428 6.719 50 10 JKGE Cl[C@@H](c1sccc1I)c1csc2c(Br)cccc12 385723718 NMONFWQCLSEPDU-LLVKDONJSA-N 469.594 6.658 50 10 JKGE Brc1cc([C@@H](Br)c2nscc2Br)c(Br)s1 404696544 AYOCSHJQESHNQO-ZCFIWIBFSA-N 496.869 5.976 50 10 JKGE CC(C)(C)OC(=O)OC(=O)N1CCC(NC(=O)OCC2c3ccccc3-c3ccccc32)CC1 642886980 ZIBCZERWVHPFMF-UHFFFAOYSA-N 466.534 5.061 50 10 JKGE CC(F)(F)C(C)(C)CC(CBr)(CBr)c1ccccc1Br 697098272 CSQNNIAPENHJAQ-UHFFFAOYSA-N 477.025 6.548 50 10 JKGE Cc1cc(Br)c([C@H](Br)[C@H]2CC(C)(C)OC2(C)C)cc1Br 710091702 GMSYTGVLKSLPAF-RISCZKNCSA-N 469.055 6.550 50 10 JKGE COc1ccc(Oc2c(Cl)cccc2CBr)cc1I 712918142 BVHPXVDHBOBDCM-UHFFFAOYSA-N 453.501 5.640 50 10 JKGE COc1ccc(Oc2ccc(CBr)cc2Br)cc1I 712921096 YGTJTMJRTZVIDX-UHFFFAOYSA-N 497.952 5.750 50 10 JKGE O=C(N[C@H](CCBr)C1CCCC1)c1cc(Cl)ccc1I 725037593 ODPMQYCYVCCAJK-CQSZACIVSA-N 470.576 5.018 50 10 JKGE COc1cccc(/C=C(/C#N)C(=O)Nc2cccc([N+](=O)[O-])c2)c1OCc1ccccc1Cl 1083945424 ZIYZJVTXIBRJTF-PDGQHHTCSA-N 463.877 5.381 50 10 JKGE O=C(NN=Cc1cccc(OCc2ccc(Br)cc2)c1)c1ccccc1Br 1083999748 WMSGCAPFQJKLAN-UHFFFAOYSA-N 488.179 5.555 50 10 JKGE O=C(NN=Cc1ccccc1OCc1ccc(Br)cc1)c1ccccc1Br 1084221571 TUMGIIMWSZAGSA-UHFFFAOYSA-N 488.179 5.555 50 10 JKGE COc1ccccc1/C(C#N)=C/c1ccc(OC(=O)COc2ccc(Cl)cc2Cl)cc1 1615099288 PFQLMAJQOFHFFN-SFQUDFHCSA-N 454.309 6.051 50 10 JKGE Cc1ccccc1C(=O)NN=C1CCCc2oc(C(=O)Nc3cccc4ccccc34)c(C)c21 1772743808 LEXOUQMJDRLIFH-UHFFFAOYSA-N 451.526 5.772 50 10 JKGE COc1ccc(C(=O)NN=C2CCCc3oc(C(=O)Nc4ccc(Cl)c(Cl)c4)c(C)c32)cc1 1772746584 WVGONJLDCYHNHG-UHFFFAOYSA-N 486.355 5.626 50 10 JKGE N#CC1=C(N)Oc2c(c(C(F)(F)F)nn2Cc2cccc(Cl)c2)[C@@H]1c1ccc(Cl)c(Cl)c1 1865685341 IECVULWHZVTTOY-MRXNPFEDSA-N 499.707 6.129 50 10 JKGE COc1ccc(-c2nn(-c3cccc(Cl)c3)c3c2[C@H](c2ccccc2Cl)C(C#N)=C(N)O3)cc1 1865685544 KFAHPUTUKVCSKC-JOCHJYFZSA-N 489.362 6.073 50 10 JKGE CCCc1nn(-c2ccc(Br)cc2)c2c1[C@@H](c1ccccc1Cl)C(C#N)=C(N)O2 1865686646 YJGMETGDSFCCBQ-IBGZPJMESA-N 469.770 5.459 50 10 JKGE CCc1nn(Cc2ccc(C)cc2)c2c1[C@@H](c1ccc(OCc3ccccc3)cc1)C(C#N)=C(N)O2 1865690377 PPROYOIHDRGVSJ-MHZLTWQESA-N 476.580 5.599 50 10 JKGE CCCc1nn(-c2cccc(Cl)c2)c2c1[C@@H](c1ccc(OCc3ccccc3)cc1)C(C#N)=C(N)O2 1865690611 WWWLQNXWOWSTOW-SANMLTNESA-N 496.998 6.275 50 10 JKGE CCCOc1ccc([C@@H]2C(C#N)=C(N)Oc3c2c(C(F)(F)F)nn3Cc2ccc(C)cc2)cc1 1865694505 WQEBEUYFGPOEIA-HXUWFJFHSA-N 468.479 5.266 50 10 JKGE CCn1nc(C(F)(F)F)c2c1OC(N)=C(C#N)[C@@H]2c1ccc(OCc2ccc(C)cc2)c(OC)c1 1865696060 WWLKXFYNKKJTFB-FQEVSTJZSA-N 484.478 5.036 50 10 JKGE CCCCCCOc1ccc([C@@H]2C(C#N)=C(N)Oc3c2c(CCC)nn3-c2ccccc2)cc1OC 1865697312 ZJQZMENHWZXXFH-AREMUKBSSA-N 486.616 6.011 50 10 JKGE COc1ccc(-c2nn(-c3ccc(Cl)c(Cl)c3)c3c2[C@H](c2cccn2C)C(C#N)=C(N)O3)cc1 1865699294 PSEOQQBEAPUBGD-NRFANRHFSA-N 492.366 5.411 50 10 JKGE COc1ccc(OC)c(/C=C/C(O)=C(\C#N)c2nc(-c3cc(Cl)c(OC)cc3OC)cs2)c1 1872756529 NXORAQRFHUAZKD-VFFXKLFPSA-N 484.961 6.004 50 10 JKGE COc1ccc(Cl)cc1N1C[C@H](/C(O)=C(\C#N)c2nc(-c3c(C)cc(C)cc3C)cs2)CC1=O 1872757065 PGKPULSISPHIDJ-HRNVMRTQSA-N 494.016 6.243 50 10 JKGE CCCCCCOc1ccc(/C=C(\C#N)c2nc(-c3cc(C)ccc3OC)cs2)cc1OC 1872790773 DNUSYVHPWUGSQP-RCCKNPSSSA-N 462.615 7.159 50 10 JKGE Cc1cc(-c2csc(/C(C#N)=C/c3ccc(OCc4ccc(Cl)cc4)cc3)n2)ccc1F 1872790899 KNCLJUWVUPVMFU-FYJGNVAPSA-N 460.961 7.554 50 10 JKGE CC(C)[C@H](/C(O)=C(\C#N)c1nc(-c2ccc3ccccc3c2)cs1)N1C(=O)c2ccccc2C1=O 1873940993 QWBRJVBLCLWINR-FOSWXRMZSA-N 479.561 6.077 50 10 JKGE C[C@@H]([C@H](Br)c1ccc(OCc2ccccc2)cc1Br)C(F)(F)F 1899881004 CTEHVXXVLYOECW-ZBEGNZNMSA-N 452.108 6.663 50 10 JKGE Cl[C@@H](c1ccc(OCc2ccccc2)cc1Br)c1ncsc1Br 1899887076 YEJHLGPXBBVCBR-HNNXBMFYSA-N 473.617 6.575 50 10 JKGE Cc1cc([C@H](Br)c2sc(Cl)cc2I)sc1Cl 1901029132 RMDBRLJJODMWAJ-QMMMGPOBSA-N 468.006 6.514 50 10 JKGE C[C@H](Br)CN(Cc1ccccc1)C(=O)c1ccc(Br)cc1Br 1914612544 IKBFUWUGAJGONV-LBPRGKRZSA-N 490.033 5.637 50 10 JKGE CCc1nn(CC)c(CN(Cc2ccccc2)[C@@H](CBr)C2CC2)c1Br 1915142729 GNBQJAQQWLJQBA-SFHVURJKSA-N 469.265 5.404 50 10 JKGE Brc1cc(Br)c([C@@H](Br)c2ccc3sccc3c2)s1 1922892129 QBDBQVPRDCPJBB-LBPRGKRZSA-N 467.045 6.972 50 10 JKGE Cc1c(Br)sc([C@@H](Br)C[C@H]2C[C@H]3CC[C@H]2C3)c1Br 1922944947 BFIHRCIFZMOXCV-MMWGEVLESA-N 457.069 6.844 50 10 JKGE CCn1cc([C@H](Cl)c2c(Br)sc(Br)c2Cl)nc1Br 1923055594 WCXCTXSKTSTECD-LURJTMIESA-N 497.865 6.234 50 10 JKGE Cc1ccc(Cl)c([C@@H](Cl)c2c(Br)sc(Br)c2Br)c1 1925498139 DXLDFYGFIWPOPB-SNVBAGLBSA-N 493.873 7.326 50 10 JKGE C[C@]1(CI)CC[C@H](c2cc(Br)ccc2Br)O1 1935888816 IIIUBTPPXPKFNB-VXGBXAGGSA-N 459.947 5.257 50 10 JKGE CCN(C[C@](C)(CI)O[C@H]1CC[C@@H]2CC[C@H]1C2)C(=O)OC(C)(C)C 1947119611 BZYOLKSGHLLMDH-FPXQBCRKSA-N 451.389 5.032 50 10 JKGE Clc1cc(Br)cc(CN(Cc2ccccc2)[C@@H](CBr)C2CC2)c1 1979519209 CXONSTGFZAECKD-IBGZPJMESA-N 457.637 6.278 50 10 JKGE C[C@@H](CCBr)N(Cc1ccccc1)C(=O)c1cc(Br)ccc1[N+](=O)[O-] 2065844339 FPWKYXCYXGCNQW-ZDUSSCGKSA-N 470.161 5.173 50 10 JKGE COc1cc(-n2nc(C(C)(C)C)c(CBr)c2C(F)(F)F)nc(C(F)(F)F)c1 2078877319 SJFLALXLOXHLOI-UHFFFAOYSA-N 460.216 5.506 50 10 JKGE Cc1ccc(Cn2nc(CBr)c(I)c2C(F)(F)F)cc1C 2079243108 NOSCCPATOQHTMA-UHFFFAOYSA-N 473.074 5.067 50 10 JKGE CP(C)(=O)CCC(CBr)(CBr)c1ccc(Br)cc1 2084165952 LCKNTAUFHKWQOZ-UHFFFAOYSA-N 460.972 5.490 50 10 JKGE Brc1ccc(CN2C[C@@H]3CC[C@@H](Br)C[C@H]3C2)c(Br)c1 2092266738 MXINEGRTENSAKG-WCFLWFBJSA-N 452.028 5.207 50 10 JKGE FC1(F)CC2(CC([C@H](Br)c3c(Cl)sc(Br)c3Cl)C2)C1 2102621255 ZFRKFVXSBFXMTK-ZETCQYMHSA-N 454.989 7.079 50 10 JKGE CC(C)(C)C1CC(CBr)(Cc2c(Br)cccc2Br)C1 2104977047 MYYRHAHQDPGEBB-UHFFFAOYSA-N 453.056 6.592 50 10 JKGE Clc1cc(Br)cc(C[C@H](CBr)c2ccc(Br)cc2)c1 2110524166 PGLWQHHIFXAPMK-GFCCVEGCSA-N 467.426 6.586 50 10 JKGE Cc1c(Br)sc([C@H](Br)[C@]2(C)CCCCC2(F)F)c1Br 2111648344 UDRSXGSUUYUTDJ-JQWIXIFHSA-N 481.038 7.233 50 10 JKGE CCCn1ncc(Br)c1C[C@@H](Br)c1ccccc1Br 2113444093 IEZULMMBVLRUPP-GFCCVEGCSA-N 451.000 5.497 50 10 JKGE O=C(c1scc(Br)c1Br)N1[C@H]2CC[C@@H]1C[C@@H](CBr)C2 2128150432 UTNVIIFGKSHIJZ-PSVAKVPMSA-N 472.040 5.051 50 10 JKGE Cc1ccc([C@H](Br)c2cc(Br)c3c(c2)CCO3)c(Br)c1 2146626388 FGGXVUOIMRXATH-OAHLLOKOSA-N 460.991 5.939 50 10 JKGE CCOc1ccc(C)cc1[C@@H](Br)c1c(Br)cccc1Br 2150493276 KKCCHWRHKJIWTG-MRXNPFEDSA-N 463.007 6.403 50 10 JKGE COc1ccc([C@H](Br)c2cc(Br)sc2C)c(OC)c1Br 2152047552 JNACTXZMIFRADG-LBPRGKRZSA-N 485.035 6.083 50 10 JKGE Cc1cc([C@@H](Br)c2cc3c(cc2Br)OCCO3)c(Br)s1 2157249402 RILWGTJMXRVSAB-ZDUSSCGKSA-N 483.019 5.837 50 10 JKGE ClCCc1nc2cc(Br)c(Cl)cc2n1C1[C@@H]2CN(Cc3ccccc3)C[C@@H]12 2159885636 LPPYXNUFZGBEKO-HUUCEWRRSA-N 465.222 5.536 50 10 JKGE BrCc1cc(Br)cc(Br)c1OC[C@H]1[C@H]2CCCCC[C@H]21 2167300769 VZIGAXBGYBRTHV-BTTYYORXSA-N 467.039 6.312 50 10 JKGE CC1(C)C[C@@H](n2c(CCl)nc3cc(Cl)c(Br)cc32)[C@@H]1OCc1ccccc1 2169014862 DODGJYNEIKFACW-QUCCMNQESA-N 468.222 6.747 50 10 JKGE C[C@@H]1CCCC[C@]12[C@@H](Br)C[C@@H]2Oc1ccc(Br)cc1Br 2173630648 XBSVFLDOQLROCQ-GCUJQHFUSA-N 467.039 6.323 50 10 JKGE O=C(N[C@H](CBr)[C@H]1CC=CCC1)c1cc(Br)ccc1Br 2196158425 YNSGHFLNETVMDI-IINYFYTJSA-N 466.011 5.061 50 10 JKGE COc1c(Cl)cc(Br)cc1[C@H](Cl)c1c(Br)sc(C)c1C 2202996727 YUZNLPFQMRFSOH-LBPRGKRZSA-N 459.030 6.880 50 10 JKGE Cc1c(Br)csc1[C@@H](Br)Cc1ccc(Br)cc1Cl 2221700094 OSUDEFIUBCSOHE-JTQLQIEISA-N 473.455 6.914 50 10 JKGE Fc1cc(Br)c(Br)cc1[C@H](Br)C[C@H]1CCC12CCC2 2225619525 KGBUPJVDTWRLNH-MWLCHTKSSA-N 455.003 6.757 50 10 JKGE Cc1cc(Br)c([C@H](Br)[C@]23CCCC[C@@H]2C3)c(C)c1Br 2227360144 PGZRKUFZJKQXRI-RLCCDNCMSA-N 451.040 6.845 50 10 JKGE COC[C@]1([C@H](Br)c2c(Br)cc(Cl)c(Cl)c2Cl)CCCO1 2232529574 MGVQYXJQYZMJMX-OLZOCXBDSA-N 467.412 6.041 50 10 JKGE C[C@@H](Cl)c1nc2c(F)cc(Br)cc2n1[C@H]1CCCN(Cc2ccccc2)C1 2232916314 OZZPJJBGTZOTSI-PBHICJAKSA-N 450.783 6.075 50 10 JKGE CCOCc1cc(Br)c([C@H](Br)Cc2cccc(Br)c2)s1 2233019574 HXGJDBIJXSJNKW-CYBMUJFWSA-N 483.063 6.488 50 10 JKGE COc1cc([C@@H](Br)c2scc(Br)c2Br)c(OC)cc1C 2236790432 QMMOKLSQIYBIGT-GFCCVEGCSA-N 485.035 6.083 50 10 JKGE Clc1c(Br)csc1[C@H](Cl)c1ccc(Br)cc1Br 2246464940 IFJWTYJTGFYYFF-SECBINFHSA-N 479.846 7.017 50 10 JKGE COc1ccc([C@H](Br)c2ncsc2Br)cc1I 2248887315 IZUDBQWYOXLURG-VIFPVBQESA-N 488.970 5.003 50 10 JKGE Cc1c(Br)sc([C@@H](Br)c2cccc(Cl)c2Br)c1C 2256124607 YJJUSGQTLQTRHF-NSHDSACASA-N 473.455 7.028 50 10 JKGE C[C@@]1([C@H](Br)c2c(F)cc(Br)c(F)c2Br)CCCCO1 2272844003 BOQGGTPXWQIGSH-OLZOCXBDSA-N 462.954 5.885 50 10 JKGE O=C(c1cc(Br)c(Br)s1)N1C[C@H](Br)C[C@H]2CCCC[C@H]21 2279557407 YYUSASLRDASRQZ-FXPVBKGRSA-N 486.067 5.441 50 10 JKGE COc1ccc([C@@H](Br)[C@]2(C)CCCCC2(F)F)cc1I 2285011111 SPGJKHZPJIOVPO-KGLIPLIRSA-N 459.112 5.951 50 10 JKGE COCCCCCCO[C@](C)(CI)c1ccccc1Br 2286997778 TZUVLQHDPPQROE-MRXNPFEDSA-N 455.174 5.323 50 10 JKGE Cc1ccc(N2C(=O)[C@@H](Cc3ccccc3C)SC2=C(C#N)C(=O)Nc2ccc(Cl)cc2)cc1 2293039157 JRXYBCVCCYDMTE-XMMPIXPASA-N 488.012 6.022 50 10 JKGE Brc1cc(Br)cc(C[C@H](Br)[C@]23CCCC[C@H]2OCC3)c1 2295342867 QIZLPSHSXGQINV-ARFHVFGLSA-N 467.039 5.867 50 10 JKGE C=CCOc1ccc(-c2nn(-c3ccccc3)cc2C=C(C#N)c2nc(O)c3ccccc3n2)cc1 2296720870 KAKQYXIOTDTULE-UHFFFAOYSA-N 471.520 5.817 50 10 JKGE COc1ccc(C=C2CCCC3=C2OC(N)=C(C#N)[C@@H]3c2ccc(OC)cc2OC)c(OC)c1 2296907847 FUUBNJNDENGICH-RUZDIDTESA-N 460.530 5.050 50 10 JKGE Brc1cc(OCc2ccccc2)ccc1[C@@H](Br)[C@H]1[C@@H]2CCCO[C@@H]21 2299493175 FYAFMWGLUOVBOT-NBYUQASBSA-N 452.186 5.889 50 10 JKGE Brc1ccc(OCc2ccccc2)c([C@H](Br)[C@@H]2C[C@@H]3CC[C@H]2O3)c1 2299530026 HZWDGXBFVMWZMB-ZSXHRAQDSA-N 452.186 6.032 50 10 JKGE Cc1sc(C(=O)N[C@@H](CCBr)COCc2ccccc2)c(Br)c1C 2303541870 YGLFZUPHTOZXBT-HNNXBMFYSA-N 475.246 5.228 50 10 JKGE Brc1cc([C@@H](Br)[C@@H]2OC[C@@H]3CCCC[C@@H]32)c(Br)s1 2312259753 HGKLNKLRTMPKCF-LDDIKCJXSA-N 459.041 5.914 50 10 JKGE Cc1cc(C)c2[nH]c(-c3ccccc3)c(C=C(C#N)C(=O)Nc3cccc(Br)c3)c2c1 2313573182 AYEGRMVZKUQHIM-UHFFFAOYSA-N 470.370 6.760 50 10 JKGE COc1ccc(C(=O)Oc2cccc(C=C(C#N)C(=O)Nc3cccc(Cl)c3Cl)c2)cc1 2313631390 PKPWRGDGHUJYLH-UHFFFAOYSA-N 467.308 5.767 50 10 JKGE COc1ccc(NC(=O)C(C#N)=Cc2cc(Br)ccc2OCc2ccc(C)cc2)cc1 2313730438 UEBYZFSILQBAQK-UHFFFAOYSA-N 477.358 5.891 50 10 JKGE Fc1cc(Br)cc([C@@H](Cl)c2ccc(OCc3ccccc3)cc2Br)c1 2314452608 OUCPLMLJQTYMRZ-HXUWFJFHSA-N 484.590 7.258 50 10 JKGE C[C@H](c1ccccc1)[C@H](Br)c1ccc(OCc2ccccc2)cc1Br 2314486481 DXEBKUSGIKSRDP-ZHRRBRCNSA-N 460.209 7.268 50 10 JKGE CC1(C)CCCC[C@H]1[C@@H](Br)c1ccc(OCc2ccccc2)cc1Br 2314499611 DWENDNFOJKFQCS-FPOVZHCZSA-N 466.257 7.681 50 10 JKGE CCc1ccc(N2C(=O)[C@H](Cc3cccc(C)c3)SC2=C(C#N)C(=O)N[C@@H](C)c2ccccc2)cc1 2314593738 SEARXAHBGBJZDZ-IDISGSTGSA-N 495.648 5.861 50 10 JKGE CC(C)CCOc1cccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)C=Cc4ccccc4)ccc32)c1 2314634761 HRFWOVISZXRDJE-GDLZYMKVSA-N 480.564 5.948 50 10 JKGE CCOc1ccc(C=C(C#N)C(=O)Nc2sc(C)c(-c3cccc(Cl)c3)c2C(=O)OC)cc1 2314792599 ARLSZGPFAOHKLH-UHFFFAOYSA-N 480.973 6.108 50 10 JKGE CC1(C)C[C@H]1C[C@@H](Br)c1c(Cl)cc(Br)c(F)c1Br 2315440207 PQTFJHQQBZJKOI-RNFRBKRXSA-N 463.410 6.876 50 10 JKGE CCCCCC[C@H](Br)c1c(Cl)cc(Br)c(F)c1Br 2315449493 PTZDXUREPPMYKS-QMMMGPOBSA-N 465.426 7.411 50 10 JKGE Fc1c(Br)cc(Cl)c([C@H](Br)[C@H]2[C@H]3OCC[C@@H]32)c1Br 2315454375 WJXZWEOLTZBCPK-MCUHUUPVSA-N 463.366 5.475 50 10 JKGE BrCc1ccc(OCc2cccc(I)c2)cc1Br 2319169358 PKNKBKDKPLQROX-UHFFFAOYSA-N 481.953 5.528 50 10 JKGE CC1(C)COC[C@]1(CBr)Cc1ccc(I)c(Br)c1 2325220295 HFOZEGCMWKJDPE-CQSZACIVSA-N 488.001 5.034 50 10 JKGE N#CC(=Cc1ccc(N2N=C(c3ccccc3)C[C@@H]2c2ccccc2)cc1)c1ccc(Cl)cc1F 2331063859 HWBUJOIFJSFKLF-SSEXGKCCSA-N 477.970 7.899 50 10 JKGE CC[C@@H](C)[C@@H](C(O)=C(C#N)c1nc(-c2cccc(OC)c2)cs1)N1C(=O)c2ccccc2C1=O 2331248959 JXSCWXKQPOZLEA-QRQCRPRQSA-N 473.554 5.322 50 10 JKGE COc1ccc(C=C(C(O)=C(C#N)c2nc(-c3ccccc3OC)cs2)c2ccccc2)cc1 2331281883 BMFKBWRSLBXDPZ-UHFFFAOYSA-N 466.562 6.861 50 10 JKGE CCc1cccc(C)c1N1C[C@@H](C(O)=C(C#N)c2nc(-c3c(C)c(C)cc(C)c3C)cs2)CC1=O 2331364415 BZWHZKMYHHFRJN-QFIPXVFZSA-N 485.653 6.760 50 10 JKGE CCOc1ccc(-c2csc(C(C#N)=C(O)c3ccccc3C(=O)c3ccccc3)n2)c(OCC)c1 2331386641 VMVLZOJCDHITOH-UHFFFAOYSA-N 496.588 6.788 50 10 JKGE N#CC(=Cc1ccccc1OCc1ccccc1Cl)c1nc(-c2cc(Cl)ccc2Cl)cs1 2331488959 LKJLPDUBVWGSGN-UHFFFAOYSA-N 497.834 8.413 50 10 JKGE COC12CCC([C@H](Br)c3cc(Br)ccc3OCc3ccccc3)(CC1)C2 2336043715 HQPTUNPALHCOOO-ITAUSPCMSA-N 480.240 6.813 50 10 JKGE Fc1cccc(Cl)c1C[C@@H](Br)c1ccc(OCc2ccccc2)cc1Br 2336082826 DPTZHWSPMDZMCZ-LJQANCHMSA-N 498.617 7.499 50 10 JKGE CC[C@]1([C@H](Br)c2c(C)cc(Br)c(F)c2Br)CCCO1 2339653852 NLQNENUIQRFSAR-ZIAGYGMSSA-N 458.991 6.054 50 10 JKGE CC[C@H](Cl)[C@@H]1CCCCN1Cc1ccc(I)c(Br)c1 2349829435 NZRBMEPDZHDPHN-ZFWWWQNUSA-N 456.593 5.426 50 10 JKGE Fc1ccccc1[C@H](CCl)Cc1ccc(I)c(Br)c1 2349840021 BWQBXEGOUREHKY-NSHDSACASA-N 453.520 5.758 50 10 JKGE FC1(F)CC[C@H](Br)[C@H](Cc2cc(I)ccc2Cl)CC1 2352428425 UXJZVXRTDOOMGY-CABZTGNLSA-N 463.531 6.076 50 10 JKGE CCc1ccc(OC)c([C@@H](Cl)c2ccc(Br)cc2I)c1 2361921001 QLRIGIJHRBFQMY-INIZCTEOSA-N 465.556 5.953 50 10 JKGE Fc1c(Br)cc(Cl)c([C@H](Br)[C@@H]2[C@@H]3[C@H]2CCC3(F)F)c1Br 2362227873 KIJFGNQCUFCPLG-REZAYRFHSA-N 497.374 6.731 50 10 JKGE Fc1ccc([C@H](Br)c2c(Cl)cc(Br)c(F)c2Br)cc1F 2362256694 ZWFYCORRHCUIPU-NSHDSACASA-N 493.342 6.767 50 10 JKGE Clc1ccc(CN2CCC[C@]3(CBr)CCC[C@@H]23)cc1I 2362379048 KZVGJIKHRIATNW-CVEARBPZSA-N 468.604 5.474 50 10 JKGE COc1c(Br)cc(C)c([C@H](Br)[C@H]2CCO[C@@H](C)C2)c1Br 2365192833 DTTUFWGBPLKAGF-OUJBWJOFSA-N 471.027 5.780 50 10 JKGE BrCc1cc(Br)cc(Br)c1O[C@@H]1CCC[C@H]2CCO[C@@H]21 2380213464 MFSCVDIWYXCOBH-RJIBLYRGSA-N 469.011 5.443 50 10 JKGE O=C(N[C@H](CCBr)COCc1ccccc1)C1CCC(CC(F)(F)F)CC1 2381925515 SURPOQBAKHMEFC-VMWRSERWSA-N 450.339 5.232 50 10 JKGE CC(C)(C)c1ccc(-c2nnc(SCC(=O)N/N=C/C=C\c3ccco3)n2-c2ccccc2)cc1 4468541 LKQMEKAAQKIWPY-GUNJKHBISA-N 485.613 5.732 50 10 JKGE O=C([C@H](Cl)c1ccccc1)N(CC(=O)N1CCc2sccc2[C@H]1c1ccc(Cl)cc1)C1CC1 16487349 FULVDQFBOZFQKA-JWQCQUIFSA-N 499.463 5.847 50 10 JKGE CCCOc1ccc(-c2nn(-c3ccccc3)cc2/C=C(\C#N)c2nc(O)c3ccccc3n2)cc1F 34988465 SREPJNBYPYEALS-HMMYKYKNSA-N 491.526 6.180 50 10 JKGE N#CC1=C(N)Oc2cc(OC(=O)c3ccccc3F)ccc2[C@@H]1c1c(Cl)cccc1Cl 38679954 BMAGYJXYDYVXCM-FQEVSTJZSA-N 455.272 5.570 50 10 JKGE Cc1c(C(=O)Oc2cccc3ccccc23)oc2c1/C(=N/NC(=O)c1ccc(Cl)cc1)CCC2 40811696 FCSWIEODKNPZLX-XHLNEMQHSA-N 472.928 6.084 50 10 JKGE CCOc1cc(/C=C(/C#N)C(=O)NCc2cccs2)ccc1OCc1c(F)cccc1Cl 59202357 VYWCRKOQZPHCQR-BOPFTXTBSA-N 470.953 5.742 50 10 JKGE C=CCOc1c(Cl)cc(/C=N/NC(=O)c2cc3cc(Br)ccc3o2)cc1OC 59304024 XPPPRDPYRXCUDP-FOKLQQMPSA-N 463.715 5.186 50 10 JKGE Cl[C@H]1C[C@@H](Oc2c(Br)cc(Br)cc2Br)C12CCCC2 97646566 VVNDJDFDPXZHJQ-NWDGAFQWSA-N 473.430 6.293 50 10 JKGE CCCCN(C(=O)C(Cl)Cl)[C@@H](CC)c1nc2ccccc2c(=O)n1-c1cccc(Cl)c1 100175455 MBTBRTWRYUFFHV-IBGZPJMESA-N 480.823 5.923 50 10 JKGE Cc1ccc(N/C=C(/C#N)c2nc(-c3ccc(Br)cc3)cs2)c(Br)c1 102417827 CLZMLNOLGZWULP-UVTDQMKNSA-N 475.209 6.620 50 10 JKGE CCCCCCCCCCOc1ccc(C(=O)N/N=C/c2cc(Br)ccc2OC)cc1 103745039 AWDYHTYUDJJUBQ-ZXVVBBHZSA-N 489.454 6.741 50 10 JKGE Cc1ccc(-c2csc3ncn(CC(=O)/C(C#N)=C4/Nc5ccccc5S4)c(=O)c23)c(C)c1 103908121 ICELRTPKBDKHDH-QJOMJCCJSA-N 470.579 5.264 50 10 JKGE COc1ccc([C@@H](Br)c2csc(I)c2)c(Br)c1 123465695 KSYQDPVQJAXOSD-LBPRGKRZSA-N 487.982 5.608 50 10 JKGE Cc1csc(CC(CBr)(CBr)c2ccccc2Br)n1 127438312 MUUBXRMRTZXXNV-UHFFFAOYSA-N 468.052 5.484 50 10 JKGE Clc1cc([C@H](Cl)c2cc(Br)c(Br)s2)sc1Br 128883399 LECKTNCHENJDKP-SSDOTTSWSA-N 485.875 7.079 50 10 JKGE COc1cc([C@@H](Br)c2ccc(Br)c(F)c2)c(OC)cc1Br 134297397 XGUSGDJVGLIXOE-HNNXBMFYSA-N 482.969 5.852 50 10 JKGE COc1cc(Br)ccc1[C@@H](Br)c1cc(Br)ccc1OC 160770723 FLCCEUXRHAOYFV-OAHLLOKOSA-N 464.979 5.713 50 10 JKGE COc1ccc(/C=C(/C#N)C(=O)Nc2cccc3ccccc23)cc1COc1ccc([N+](=O)[O-])c(C)c1 207152779 NBRNGNNDWIRVDD-JCMHNJIXSA-N 493.519 6.190 50 10 JKGE CCOC(=O)c1c(NC(=O)/C(C#N)=C\c2ccc(C(C)(C)C)cc2)sc2c1CC[C@@H](CC)C2 209408077 LJCHMHNQOIAVCB-SQFNAUOLSA-N 464.631 6.283 50 10 JKGE N#C/C(=C/c1ccccc1OCC(=O)Nc1ccccc1)c1nc(-c2cccc([N+](=O)[O-])c2)cs1 214020191 VHDRHTASQNMNNC-MOSHPQCFSA-N 482.521 5.800 50 10 JKGE CCCN1C(=O)C(C#N)=C(C)/C(=C/c2cn(-c3ccccc3)nc2-c2ccc(OCC)c(C)c2)C1=O 214217959 WXOPUOPSFGUNHP-JLPGSUDCSA-N 480.568 5.249 50 10 JKGE FC(F)(F)c1cc(CBr)ccc1Oc1ccccc1I 218229715 YCOVCCFQDYVQON-UHFFFAOYSA-N 457.027 5.997 50 10 JKGE O=C(N[C@@H]1CCCCC[C@@H]1Br)c1ccc(Br)cc1Br 232457324 BRPJRUZUWZTDJK-WCQYABFASA-N 454.000 5.038 50 10 JKGE Clc1ccc(C[C@H](Cl)c2cc(I)ccc2Br)cc1 236019095 GIUBFUJRRCRBBL-AWEZNQCLSA-N 455.948 6.230 50 10 JKGE Nc1nnc(SCCCC(=O)N/N=C(\Cc2ccccc2)c2ccc(-c3ccccc3)cc2)s1 253577012 WOBLJKBJDHCRAR-WEMUOSSPSA-N 487.654 5.423 50 10 JKGE Cc1ccc(Nc2nc(-c3ccc(C(=O)NN=Cc4ccc(N(C)C)cc4)cc3)cs2)cc1 254709773 BUWIZFSPXDQTGR-UHFFFAOYSA-N 455.587 5.692 50 10 JKGE Cc1ccccc1-n1c(SCC(=O)NN=Cc2ccc(C(C)(C)C)cc2)nc2ccccc2c1=O 254734901 OEUFDWCFLGHRBJ-UHFFFAOYSA-N 484.625 5.234 50 10 JKGE CC(C)[C@H]1CC[C@@H](C)C[C@H]1O[C@@](C)(CI)CNC(=O)OC(C)(C)C 303741196 JBQPTNGPDDKGNV-NNFUDEMPSA-N 453.405 5.182 50 10 JKGE CCCOc1ccc([C@@H](Br)c2cnn(C)c2Br)cc1Br 379183244 URVDHDOUENOSHA-CYBMUJFWSA-N 466.999 5.218 50 10 JKGE C[C@H](Cl)c1nc2cc(I)ccc2n1Cc1ccn(Cc2ccccc2)n1 389615842 WBLDTJRJGIRTQN-AWEZNQCLSA-N 476.749 5.234 50 10 JKGE Cc1cc(Br)ccc1[C@@H](Br)c1c(Br)cc(F)c(F)c1F 398739085 PKQVRPNKSSJAIT-GFCCVEGCSA-N 472.924 6.422 50 10 JKGE CC(C)(C)CN(CCBr)C(=O)c1scc(Br)c1Br 691121533 RCVMCDCUJLGBSO-UHFFFAOYSA-N 462.045 5.156 50 10 JKGE FC(F)(F)c1csc([C@@H](Br)Cc2ccccc2Br)c1Br 692447243 CWODGSPQPITECF-JTQLQIEISA-N 492.980 6.971 50 10 JKGE Brc1ccc(Br)c([C@H](Br)c2occc2Br)c1 694964404 KSSIERGREQWPTA-JTQLQIEISA-N 473.784 6.051 50 10 JKGE Fc1cc(Br)ccc1CC(CBr)(CBr)C1CCOCC1 696858187 JMEHGMGASQJECQ-UHFFFAOYSA-N 473.018 5.334 50 10 JKGE C[C@@H](Br)C[C@H]1CCCCCN1C(=O)c1scc(Br)c1Br 707806008 GMZDKLYPRZLRPL-NXEZZACHSA-N 488.083 5.831 50 10 JKGE Cc1cccc(COc2c(Br)cc(/C=C(\C#N)C(=O)N(C)C)cc2Br)c1 1084077607 BTOFHZGXAJNSNP-LZYBPNLTSA-N 478.184 5.094 50 10 JKGE COc1ccc(C(CSc2nc3ccccc3s2)=NNC(=O)c2cccc(Cl)c2)cc1 1084548825 AHOYYPWNUTYOEI-UHFFFAOYSA-N 468.003 5.885 50 10 JKGE 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)C3=C[C@@H](Cl)[C@]2(O)C1 1085233529 JIXRSUPPSOBQSS-AFHNLRALSA-N 491.156 7.314 50 10 JKGE Cc1nn(Cc2ccc(Cl)c(Cl)c2)c2c1[C@@H](c1cccc3ccccc13)C(C#N)=C(N)O2 1865682813 XYSIOMRIRMIYKQ-QHCPKHFHSA-N 461.352 5.918 50 10 JKGE N#CC1=C(N)Oc2c(c(-c3ccccc3)nn2-c2ccccc2Cl)[C@H]1c1ccc(Cl)cc1Cl 1865686175 RLXAYSULIIGRTB-NRFANRHFSA-N 493.781 6.718 50 10 JKGE CCCCOc1ccc([C@H]2C(C#N)=C(N)Oc3c2c(CCC)nn3Cc2cccc(F)c2)cc1 1865693458 VVNGNOVLMJDPCA-DEOSSOPVSA-N 460.553 5.420 50 10 JKGE N#CC1=C(N)Oc2c(c(-c3ccccc3)nn2-c2ccccc2)[C@H]1c1cc(Br)ccc1O 1865695991 JLSHVZYOGHVMSL-NRFANRHFSA-N 485.341 5.226 50 10 JKGE CCN(Cc1ccccc1)c1ccc([C@H]2C(C#N)=C(N)Oc3c2c(C)nn3Cc2ccc(F)cc2)cc1 1865707405 WHRPNZHOKJQJQJ-NDEPHWFRSA-N 493.586 5.624 50 10 JKGE Cc1ccc(-c2ccc(C(=O)NNC(=O)CC(c3ccccc3)c3ccccc3)c(C)n2)cc1C 1865756179 KNEKKHVHJLRIHA-UHFFFAOYSA-N 463.581 5.657 50 10 JKGE CC[C@@H](C)[C@@H](/C(O)=C(\C#N)c1nc(-c2ccc(OC)cc2)cs1)N1C(=O)c2ccccc2C1=O 1872745978 LYXHOHJJTPQEKM-XWODFAMDSA-N 473.554 5.322 50 10 JKGE COc1ccc(-c2csc(/C(C#N)=C(\O)c3cc([N+](=O)[O-])c(C)c([N+](=O)[O-])c3)n2)cc1F 1872752656 NBXJYEGZOKFIPA-UYRXBGFRSA-N 456.411 5.033 50 10 JKGE C[C@@H](/C(O)=C(\C#N)c1nc(-c2ccc(Oc3ccccc3)cc2)cs1)N1C(=O)c2ccccc2C1=O 1872753949 VVEAQPSIRCZJJB-KZIRDTCISA-N 493.544 6.080 50 10 JKGE COc1c(Cl)cc(Cl)cc1-c1csc(/C(C#N)=C(O)/C=C/c2cccc(Cl)c2)n1 1872754172 GMAHFZNZCOVLBF-XMVZJSJNSA-N 463.773 7.285 50 10 JKGE CCCCc1ccc(-c2csc(/C(C#N)=C/c3cc(Br)c(O)c(OC)c3)n2)cc1 1872781935 XIXOXHPOUDFTQB-VCHYOVAHSA-N 469.404 6.694 50 10 JKGE N#C/C(=C(/O)c1cc(C(F)(F)F)cc(C(F)(F)F)c1)c1nc(-c2cccc([N+](=O)[O-])c2)cs1 1873941156 YUMVPSDJLRJKSZ-ICFOKQHNSA-N 485.365 6.706 50 10 JKGE CC(C)(C)OC(=O)N[C@@H](CBr)[C@@H]1CN(C(=O)OC(C)(C)C)C2(CCCCC2)C1 1885097606 SFFMMWMTLOSHBJ-HOTGVXAUSA-N 461.441 5.235 50 10 JKGE COc1cc(C)c([C@@H](Br)c2ccccc2I)cc1Br 1901654212 NYLZZZVWDLHKDM-HNNXBMFYSA-N 495.980 5.855 50 10 JKGE Cc1c(Br)sc([C@@H](Br)Cc2ccc(F)c(F)c2)c1Br 1922882665 MVFMOLIWBMUOGC-QMMMGPOBSA-N 474.990 6.538 50 10 JKGE Cc1c(Br)sc([C@@H](Br)C2(CC(F)F)CCC2)c1Br 1922933076 RSVAUVMWGMHXSZ-SNVBAGLBSA-N 467.011 6.843 50 10 JKGE Cc1c(Br)sc([C@@H](Br)c2sccc2Cl)c1Br 1922935850 SSICPYWTBZRRBF-ZETCQYMHSA-N 465.457 6.781 50 10 JKGE Clc1c(Br)sc(Br)c1[C@@H](Br)[C@@H]1CCCCO1 1923067971 LDAKPIGPZAIJPR-FSPLSTOPSA-N 453.421 5.932 50 10 JKGE Clc1ccc(Br)c([C@@H](Br)Cc2ccncc2Br)c1 1924052484 NDCCNEAHFGMVOU-LBPRGKRZSA-N 454.387 5.939 50 10 JKGE C[C@@H]1C[C@@H]([C@@H](Cl)c2c(Br)sc(Br)c2Br)CO1 1924579800 KFZVFALVSVRUNT-OKMMGKLZSA-N 453.421 5.741 50 10 JKGE CC1([C@H](Br)c2c(Br)sc(Br)c2Br)CCCC1 1924580082 OGUASVKQVVDTOI-MRVPVSSYSA-N 495.900 7.052 50 10 JKGE CC[C@H](c1ccccc1)[C@@H](Cl)c1c(Br)sc(Br)c1Br 1924596209 KQJJCHOZMWPYKE-BXKDBHETSA-N 487.482 7.509 50 10 JKGE CCCc1ccccc1[C@H](Cl)c1c(Br)sc(Br)c1Br 1924615114 WNLCSGQGBIFVBL-LBPRGKRZSA-N 487.482 7.316 50 10 JKGE CC1(C)CC[C@H](Br)[C@@H](CNC(=O)c2csc(Br)c2Br)C1 1927069569 SZFDHQSXBXUTEZ-SCZZXKLOSA-N 488.083 5.593 50 10 JKGE Fc1cc(Br)ccc1[C@H](Br)c1sc(Cl)cc1Br 1948827834 DYBXBBRCTUVINO-JTQLQIEISA-N 463.391 6.550 50 10 JKGE F[C@@H]([C@H](Cl)c1c(Br)sc(Br)c1Br)C(F)(F)F 1984586265 PTWZUSGXVDZANB-DMTCNVIQSA-N 469.317 6.216 50 10 JKGE CC(C)(F)[C@@](C)(F)[C@H](Cl)c1c(Br)sc(Br)c1Br 2003230347 GFPKDDHHTMQGTK-LDWIPMOCSA-N 475.418 6.792 50 10 JKGE Cl[C@@H](c1c(Br)sc(Br)c1Br)[C@H]1[C@H]2[C@H]3C[C@@H]1C[C@H]32 2016551804 HSJFDZLTBDVFQB-RZJJVDDJSA-N 461.444 6.218 50 10 JKGE CC(C)(C1CCCCC1)[C@H](Br)c1cc(Br)sc1Br 2032272513 NXMADQBKEZBFHJ-GFCCVEGCSA-N 459.085 7.316 50 10 JKGE Cc1ccc(C)c(C[C@H](Br)c2csc(Br)c2Br)c1 2032953674 OBAPNWGDLPCZNX-LBPRGKRZSA-N 453.037 6.569 50 10 JKGE Fc1cc(Br)cc(F)c1[C@H](Br)c1sc(Cl)cc1Br 2036939367 PYIHPNZTIOZMLQ-JTQLQIEISA-N 481.381 6.689 50 10 JKGE C[C@H](c1ccncc1Br)[C@@H](Br)c1cc(Br)c(Cl)s1 2052441264 DXXFDVKYYNRQRJ-KSBSHMNSSA-N 474.443 6.561 50 10 JKGE Cc1c([C@H](Br)c2c(Cl)sc(Cl)c2Cl)c(Br)nn1C 2067854302 CVNMDIDFIFXUQZ-LURJTMIESA-N 453.414 5.997 50 10 JKGE ClCCc1nc2cc(I)ccc2n1C1(CCOCc2ccccc2)CC1 2090320660 GKZTVDJZPSSOTD-UHFFFAOYSA-N 480.777 5.518 50 10 JKGE CC(C)(CO[C@H](CI)c1ccc(Br)cc1)C(F)(F)F 2094246385 JXLISBOJEKGRSN-LLVKDONJSA-N 451.064 5.530 50 10 JKGE Clc1ccc(I)c([C@H](Br)Cc2c(Cl)cccc2Cl)c1 2104785900 ZWWCDXNYLUVRFZ-LLVKDONJSA-N 490.393 6.930 50 10 JKGE CCC(CC)(CBr)CN=[S@@](C)(=O)C[C@@H](NC(=O)OC(C)(C)C)C(C)(C)C 2106785082 AGVQVRQYCDIGRT-WZQKQDCOSA-N 455.503 5.225 50 10 JKGE FC1(F)CCC[C@@H]2[C@H]([C@H](Cl)c3c(Br)sc(Br)c3Br)[C@H]21 2114391522 GUESTKGPLPJSSB-UMVZGTFNSA-N 499.440 6.997 50 10 JKGE Clc1sc([C@@H](Cl)c2cc(I)cc3c2OCC3)cc1Br 2115941962 GGWZQVDTKHRFKU-NSHDSACASA-N 489.987 6.032 50 10 JKGE Brc1ccc(Br)c(CN2C[C@H]3[C@H](Br)CCC[C@H]3C2)c1 2118525556 VNTQLDTYUCVKTL-PSOPSSQASA-N 452.028 5.207 50 10 JKGE CCC[C@@H](Br)c1cn(-c2c(Br)cc(C)cc2Br)nn1 2121073010 LJDCTGPRCVDYTJ-SECBINFHSA-N 451.988 5.337 50 10 JKGE FC(F)(F)[C@@H]1C[C@@H]1COc1c(Br)cc(CBr)cc1Br 2128749114 MCEPINOEPBRURC-HTQZYQBOSA-N 466.917 5.684 50 10 JKGE O=C(c1csc(Br)c1Br)N1CCC[C@@H]2CC[C@H](Br)C[C@H]21 2167006217 VCMPHLCIJFJYRQ-WCABBAIRSA-N 486.067 5.441 50 10 JKGE CCOc1ccc([C@H](Br)c2nc(CC)sc2Br)cc1Br 2169487659 IMVYULKBPWCXDN-LBPRGKRZSA-N 484.051 6.114 50 10 JKGE CN(C(=O)c1ccc(I)c(Br)c1)[C@H]1CCCCC[C@@H]1Cl 2172541520 YDEJSGVJLVTSOI-JSGCOSHPSA-N 470.576 5.066 50 10 JKGE O=S(=O)(c1cc(CBr)c(Cl)cc1Cl)N(Cc1ccccc1)C1CCCCC1 2179831686 ZWDVTFBCZWGOGI-UHFFFAOYSA-N 491.278 6.412 50 10 JKGE CCCC(CBr)(CCC)CN1CCN(C(=O)OC(C)(C)C)C[C@@H]1CC(F)F 2183412091 ZGNGBXAUXCWSIG-INIZCTEOSA-N 455.428 5.544 50 10 JKGE O=C(N[C@@H](CBr)[C@H]1CC=CCC1)c1cc(Br)cc(Br)c1 2196157713 SIKXYYAIVTUSCN-HZMBPMFUSA-N 466.011 5.061 50 10 JKGE BrCc1cc(Br)cc(Br)c1OC[C@@H]1C[C@]12CCCOC2 2198174600 ABTROMVNEIUMOV-NHYWBVRUSA-N 469.011 5.302 50 10 JKGE Cc1cc(C)c(C)c([C@@H](Br)c2cc(Br)c(C)cc2Br)c1 2203054997 JGPDCPAIIHSJSN-QGZVFWFLSA-N 461.035 6.930 50 10 JKGE Fc1ccc(C[C@H](CBr)Cc2ccc(I)c(Cl)c2)cc1 2208044519 MTTSBDPWVBOCBF-ZDUSSCGKSA-N 467.547 5.880 50 10 JKGE Fc1cc(Br)c(Br)cc1[C@@H](Br)c1ccoc1Br 2213491514 FUSHYIALVARWGA-JTQLQIEISA-N 491.774 6.191 50 10 JKGE Cc1sc(Br)c(C)c1[C@@H](Cl)c1scc(Br)c1Br 2213645331 PPOWSCFKZVOUHE-SECBINFHSA-N 479.484 7.042 50 10 JKGE CCc1ccsc1[C@H](Br)c1cc(Br)c(Br)cc1F 2218596525 GAWJCMQEABXZFC-GFCCVEGCSA-N 457.000 6.459 50 10 JKGE CCOCc1cc(Br)c([C@@H](Br)c2ccc(OCc3ccccc3)cc2)s1 2224791770 IELOKMVKMNDGGJ-FQEVSTJZSA-N 496.264 7.110 50 10 JKGE Brc1ccc([C@H](Br)[C@H]2C[C@H]3CCC[C@H](C3)C2)c(Br)c1 2225322453 TZQJYVOCVLBAEK-AZKPJATDSA-N 451.040 6.864 50 10 JKGE Fc1cc(Br)c(Br)cc1[C@H](Br)C1CC2(C1)CC21CC1 2225616201 DGAGWAYWKOOEOD-XIWGSEKOSA-N 452.987 6.367 50 10 JKGE Cc1c(Cl)cccc1[C@H](Br)c1cc(Br)c(Br)cc1F 2225616744 JBEAMFOGOJIHJQ-AWEZNQCLSA-N 471.389 6.797 50 10 JKGE Fc1cc(Br)c(Br)cc1[C@@H](Br)[C@H]1CCCC12CCC2 2225617159 LZHTUKALCDZFMH-QMTHXVAHSA-N 455.003 6.757 50 10 JKGE Cc1cc(Br)c([C@H](Br)[C@]2(C)COCCO2)c(C)c1Br 2227360712 VUFJQAYRDUVUTG-KBPBESRZSA-N 457.000 5.070 50 10 JKGE Cc1cc(Br)c([C@H](Br)c2nn(C)cc2Cl)c(C)c1Br 2227371420 SUCWEYYOVFWFDB-LBPRGKRZSA-N 471.418 5.700 50 10 JKGE Clc1cc(Br)c([C@H](Br)C2CC3(CCCO3)C2)c(Cl)c1Cl 2232530571 SNBSFKXXUBWYHM-MIJJTYSQSA-N 463.424 6.805 50 10 JKGE Brc1cc(Br)c([C@H](Br)C[C@@H]2CCCCC23CC3)s1 2253858166 TXOFRKHFROFAQT-VHSXEESVSA-N 457.069 7.070 50 10 JKGE Clc1cccc(Cl)c1[C@@H](Br)c1cc2sc(Br)cc2s1 2278099197 CXDQGUAWEOLHMM-ZDUSSCGKSA-N 457.039 7.516 50 10 JKGE Cc1cc(Br)ccc1[C@H](Br)c1c(Br)cc(C)c(F)c1C 2279143382 BQENGVUMLKARMX-HNNXBMFYSA-N 464.998 6.760 50 10 JKGE O=C(CSc1nnc(SCc2ccccc2Cl)s1)NN=CC(Cl)=Cc1ccccc1 2293722836 IZGZFZOZAGAVFU-UHFFFAOYSA-N 495.482 5.958 50 10 JKGE N#CC(=Cc1cc(Br)c(Sc2ccc(Cl)cc2)o1)c1ccc(Cl)cc1 2294229428 SNMXRIOEXOEQIL-UHFFFAOYSA-N 451.172 7.564 50 10 JKGE N#CC(=Cc1cc(Br)ccc1OS(=O)(=O)c1ccccc1)c1nc2ccccc2s1 2294511002 OWOMJNYTRUHPOU-UHFFFAOYSA-N 497.395 5.891 50 10 JKGE COc1c(Br)cc(Cl)c(C)c1[C@H](Cl)c1scc(Br)c1Cl 2295357226 JZUGIOBTZRMBQA-NSHDSACASA-N 479.448 7.225 50 10 JKGE Cc1ccc(C(=O)Oc2ccc(C=C(C#N)C(=O)Nc3nc(-c4cccs4)cs3)cc2)cc1 2297399315 WWJMDZSSBLFFEI-UHFFFAOYSA-N 471.563 5.945 50 10 JKGE COC(=O)c1ccc(NC(=O)C(C#N)=Cc2cn(Cc3ccc(F)cc3)c3ccccc23)cc1 2297551925 VVVLFBYEDVPUBU-UHFFFAOYSA-N 453.473 5.161 50 10 JKGE CC[C@@](C)(C(F)F)[C@@H](Br)c1cc(Br)ccc1OCc1ccccc1 2299825852 PNYAXTUELGQCQF-PKOBYXMFSA-N 462.172 7.146 50 10 JKGE CCc1cc([N+](=O)[O-])ccc1-c1ccc(C=C(C#N)C(=O)Nc2ccc(Br)c(C)c2)o1 2313553127 IOTRCWAPAIGZMJ-UHFFFAOYSA-N 480.318 6.034 50 10 JKGE FC1(F)CC2(C[C@@H]2[C@@H](Br)c2cc(Br)ccc2OCc2ccccc2)C1 2314443828 IMOHVQMOAZLBIB-AEFFLSMTSA-N 472.167 6.900 50 10 JKGE CC1(C)CC12CC([C@@H](Br)c1ccc(OCc3ccccc3)cc1Br)C2 2314445382 OUGFMMXHEXAZAW-PWOUQQLPSA-N 464.241 7.290 50 10 JKGE COc1ccccc1NC(=O)C(C#N)=Cc1ccc(N2N=C(c3ccccc3)C[C@@H]2c2ccccc2)cc1 2314482562 ODTFTOQCMNGDSR-SSEXGKCCSA-N 498.586 6.597 50 10 JKGE Cc1ccc(F)c([C@@H](Br)c2cc(Br)ccc2OCc2ccccc2)c1 2314485521 AUDQGPDQRFNUGR-OAQYLSRUSA-N 464.172 6.960 50 10 JKGE N#CC(=Cc1ccc(-c2ccc(Cl)c(Cl)c2)o1)C(=O)Nc1ccc(Cl)c(C(F)(F)F)c1 2314489641 UGLLNKWROYFKPG-UHFFFAOYSA-N 485.676 7.471 50 10 JKGE CCC12COC([C@H](Br)c3cc(Br)ccc3OCc3ccccc3)(C1)C2 2314493209 CMBKIFXDWAYMKY-QNGMFEMESA-N 466.213 6.423 50 10 JKGE Cc1cccc([C@@H](Br)c2ccc(OCc3ccccc3)cc2Br)c1F 2314500382 MXJFRTAYNOEIHV-FQEVSTJZSA-N 464.172 6.960 50 10 JKGE Fc1c(Br)cc(Cl)c([C@H](Br)[C@H]2CC23CCC3)c1Br 2315459464 BCBUHNXSNPXRHX-LHLIQPBNSA-N 461.394 6.630 50 10 JKGE COc1ccc(Cl)cc1[C@@H](Br)c1sc(Cl)cc1I 2316599965 YWTBEMKDYJFKPD-LLVKDONJSA-N 477.976 6.152 50 10 JKGE COc1cc(C=C(C#N)c2cccc(Cl)c2)ccc1OC(=O)C=Cc1ccc(Cl)cc1Cl 2320506937 UYBNWHFLGSECIW-UHFFFAOYSA-N 484.766 7.338 50 10 JKGE Cc1cc(OCc2ccc(CCl)cc2)cc2c1C(=O)C(=Cc1ccc(Br)cc1)O2 2325339600 MTZNFFCAICDABY-UHFFFAOYSA-N 469.762 6.692 50 10 JKGE CCOc1ccc(-c2csc(C(C#N)=C(O)CCCCCNC(=O)c3ccccc3)n2)cc1 2331305751 QFVZFVICQUYBBW-UHFFFAOYSA-N 461.587 5.992 50 10 JKGE CC(C)(C)c1csc(C(C#N)=C(O)CCCOc2ccc(Cl)cc2Br)n1 2331308007 BPMXBUZNWDCYMK-UHFFFAOYSA-N 455.805 6.508 50 10 JKGE COc1c(C)cc(C)cc1-c1csc(C(C#N)=C(O)[C@H](C(C)C)N2C(=O)c3ccccc3C2=O)n1 2331371889 OHHAVKFAOHZWHH-QFIPXVFZSA-N 487.581 5.549 50 10 JKGE COc1c(C)cc(Cl)cc1-c1csc(C(C#N)=C(O)c2ccc(OCC(C)C)cc2)n1 2331392394 ZQAPMKZPLADXOJ-UHFFFAOYSA-N 454.979 6.765 50 10 JKGE COc1ccc(C=CC(O)=C(C#N)c2nc(-c3ccc(OC)c4ccccc34)cs2)cc1OC 2331406399 JELCFOXGSUNPID-UHFFFAOYSA-N 470.550 6.495 50 10 JKGE CCCOc1ccc(-c2csc(C(C#N)=Cc3ccc(OCc4ccccc4)c(OC)c3)n2)cc1 2331445070 BYTQOMYOUMEASA-UHFFFAOYSA-N 482.605 7.251 50 10 JKGE CC1(C)C[C@H]([C@@H](Br)c2ccc(OCc3ccccc3)cc2Br)C(C)(C)O1 2336053465 JSVDLKRESKPWQL-QUCCMNQESA-N 482.256 7.058 50 10 JKGE Fc1ccc(CBr)c(OCc2ccc(Cl)c(I)c2)c1 2337271579 XYGNEJQDEASSNV-UHFFFAOYSA-N 455.492 5.558 50 10 JKGE CC1(C)COC[C@@H]1COc1c(Br)cc(Br)cc1CBr 2338978682 RIHYYCBPIFDXJY-SNVBAGLBSA-N 457.000 5.158 50 10 JKGE Cc1cc(Br)c(F)c(Br)c1[C@H](Br)c1ccc(Cl)cc1 2339675032 PIKLYJBNEVWYTI-GFCCVEGCSA-N 471.389 6.797 50 10 JKGE BrC[C@H](OCc1cccc(I)c1)c1cccc(Br)c1 2341612878 WYPMHLHPPPTVJC-HNNXBMFYSA-N 495.980 5.707 50 10 JKGE C[C@@H](Br)C[C@@H]1CCCCN1Cc1cc(I)ccc1Cl 2352417673 MFHDYPXUWQVCQS-RISCZKNCSA-N 456.593 5.473 50 10 JKGE Cc1cc(Br)c(F)c(Br)c1[C@@H](Br)CC[C@H]1CCCCO1 2365178028 GRYXWDIQKRZQLP-MNOVXSKESA-N 473.018 6.444 50 10 JKGE COc1ccc([C@@H](Br)c2c(C)cc(Br)c(F)c2Br)cc1 2365214686 CRPQXXSDWKMLQK-CYBMUJFWSA-N 466.970 6.152 50 10 JKGE Cc1cc(Br)c(F)c(Br)c1[C@@H](Br)[C@H]1CCCC12CCC2 2365225561 KVZITMZZLABWPS-MFKMUULPSA-N 469.030 7.066 50 10 JKGE CC(C)C1CCC(CI)(OCc2cccc(I)c2)CC1 2367344773 PMSAOBUNIRQOLM-UHFFFAOYSA-N 498.186 5.828 50 10 JKGE c1ccc(P(c2ccccc2)[C@@H]2[C@H]3CC[C@H](C3)[C@H]2P(c2ccccc2)c2ccccc2)cc1 2572361 LBNIIIAVAIZHKJ-RMDVPPNSSA-N 464.529 6.419 50 10 JKGE Cc1cccc(N[C@H](C)C(=O)N/N=C/c2ccccc2OCc2ccc(Br)cc2)c1 27528158 OCXGHTKIPMJDTP-GTPWMTBTSA-N 466.379 5.287 50 10 JKGE CCCCOc1ccc(/C=C(\C#N)C(=O)Nc2scc(-c3ccccc3)c2C(=O)OCC)cc1 33346415 GSUYFCWLVWWDPU-LTGZKZEYSA-N 474.582 6.316 50 10 JKGE N#C/C(=C/c1ccc(-n2nc(-c3ccccc3)cc2-c2ccccc2)cc1)c1nc(O)c2ccccc2n1 33568632 PBMYSCJHQQTXQT-PLRJNAJWSA-N 491.554 6.919 50 10 JKGE CC(C)(C)c1ccc([C@H]2C[C@@H]2C(=O)N/N=C/c2ccc(-c3cc([N+](=O)[O-])ccc3Cl)o2)cc1 33672232 UMDYPTFZMHAFTN-UGBNDDKLSA-N 465.937 6.060 50 10 JKGE O=C(c1ccco1)N(/N=C/c1ccc([N+](=O)[O-])s1)c1nc2ccc(Br)cc2s1 35565427 LQMZANMMWWICAZ-DJKKODMXSA-N 477.321 5.302 50 10 JKGE CCCCOc1ccccc1[C@H]1C(C#N)=C(N)Oc2cc(OC(=O)COc3cc(C)cc(C)c3)ccc21 38682980 WDTLKEUMNDUKGT-GDLZYMKVSA-N 498.579 5.685 50 10 JKGE CCCCOc1cc(/C=C(\C#N)C(=O)Nc2sc(C)c(C)c2C(=O)OCC)ccc1OC 39885185 KLWQYMZSSSTJMS-LDADJPATSA-N 456.564 5.275 50 10 JKGE Cc1c(C(=O)Nc2ccc(Cl)cn2)oc2c1/C(=N/NC(=O)c1ccc(Cl)cc1)CCC2 40811671 WUNJDSGNPJFXSY-JVWAILMASA-N 457.317 5.013 50 10 JKGE Cc1c(C(=O)NCc2ccccc2Cl)oc2c1/C(=N/NC(=O)c1cccc3ccccc13)CCC2 40813521 AYJIMKWOQFVFEN-UQRQXUALSA-N 485.971 5.795 50 10 JKGE CCOc1ccc(NC(=O)c2oc3c(c2C)/C(=N/NC(=O)c2cccc4ccccc24)CCC3)cc1 40813610 SPPZKMJMWXCTIW-QFMPWRQOSA-N 481.552 5.863 50 10 JKGE BrC[C@H](Cc1ccc(Br)cc1)Cc1cc(Br)cs1 97183228 ZQKQINJQXVIGHP-LLVKDONJSA-N 453.037 6.069 50 10 JKGE ClCc1nc2cc(I)ccc2n1Cc1ccc(Br)s1 97355197 KCOWJDAHNJOOFQ-UHFFFAOYSA-N 467.557 5.252 50 10 JKGE C[C@@H]1CCCC[C@H]1NC(=O)[C@@H](c1ccc(Cl)cc1)N(Cc1ccc(F)cc1)C(=O)CCl 97914234 SZKVMNJNUIEAPD-FQQGMQMYSA-N 465.396 5.483 50 10 JKGE C[C@H]1CCCC/C1=N/NC(=O)c1cccc(S(=O)(=O)Nc2cc(Cl)ccc2Cl)c1 102648957 MNZVSYXEQIYLCV-LUHTUZHSSA-N 454.379 5.090 50 10 JKGE N#C/C(=C/c1ccc2noc(-c3ccccc3)c2c1)c1nc(-c2cccc([N+](=O)[O-])c2)cs1 102973295 GGUBMJZRWTWUJJ-ODLFYWEKSA-N 450.479 6.591 50 10 JKGE COc1ccc(C[C@H](Br)c2cc(Br)ccc2Br)cc1OC 109844636 HTWGTJCLGFKPQX-AWEZNQCLSA-N 479.006 5.908 50 10 JKGE Clc1cc2c(cc1[C@H](Br)c1ccccc1I)OCCCO2 109866408 DRNJTNTZSKESKN-MRXNPFEDSA-N 479.539 5.590 50 10 JKGE Fc1cc(F)c([C@H](Br)c2cc(Br)ccc2Br)c(F)c1 114846945 RMLNUBDADIMSJM-CYBMUJFWSA-N 458.897 6.113 50 10 JKGE COc1cc(C)c(Br)cc1[C@@H](Br)Cc1ccc(Cl)c(Cl)c1 115866905 IRRKHVWINNUNQO-ZDUSSCGKSA-N 453.001 6.752 50 10 JKGE Fc1cc(Br)cc(F)c1[C@H](Br)Cc1ccc(Br)cc1 122351251 WQCQFJSGPBWXHR-LLVKDONJSA-N 454.934 6.169 50 10 JKGE COc1cc(Br)ccc1[C@H](Cl)c1cc(Br)c(Br)s1 135309492 IARUNTPDFXUGRM-NSHDSACASA-N 475.427 6.372 50 10 JKGE CCCCCCOc1ccc(-c2nn(-c3ccccc3)cc2/C=C2\C(=O)N(C)C(=O)C(C#N)=C2C)cc1 214204373 APPNWLUAWSAODW-ITYLOYPMSA-N 494.595 5.720 50 10 JKGE CC[C@H](C)N1C(=O)C(C#N)=C(C)/C(=C/c2cn(-c3ccccc3)nc2C23CC4CC(CC(C4)C2)C3)C1=O 214259503 NAUPXDAXYUPAOH-BNWRPKLWSA-N 494.639 5.731 50 10 JKGE N#C/C(=C/Nc1cccc2c(O)cccc12)C(=O)N1CCN(C(c2ccccc2)c2ccccc2)CC1 216490502 HRBOOSUHCCKXED-LVWGJNHUSA-N 488.591 5.299 50 10 JKGE Cc1cc([C@@H](Br)c2cc(Br)cc3c2OCC3)ccc1Br 228442837 RHHKHULBLQDYHO-OAHLLOKOSA-N 460.991 5.939 50 10 JKGE COc1ccc([C@@H](Cl)c2ccc(I)c(Cl)c2)cc1Br 232341102 WPXLOQNPCVPEBK-CQSZACIVSA-N 471.947 6.044 50 10 JKGE CC(C)Oc1ccc([C@H](Cl)c2cc(I)ccc2Br)cc1 232692592 HULZKSOMNIZLOD-INIZCTEOSA-N 465.556 6.169 50 10 JKGE CCOc1ccc([C@@H](Cl)c2cc(Cl)ccc2I)c(Br)c1 233797131 SFUYWOBZRPJLTC-OAHLLOKOSA-N 485.974 6.434 50 10 JKGE COc1ccc(OC)c([C@H](Cl)c2cc(Br)ccc2I)c1 234948141 FHHQXKFVXSPILK-OAHLLOKOSA-N 467.528 5.399 50 10 JKGE Cc1cccc2c(-c3ccccc3)c(-c3ccccc3)n(CCC(=O)NN=Cc3ccccc3O)c12 254372487 KROAACRQXHONLQ-UHFFFAOYSA-N 473.576 6.530 50 10 JKGE C[C@H](C=NNC(=O)c1ccc(CN2c3cccc4cccc(c34)S2(=O)=O)cc1)c1ccccc1 254754900 VFRYNDGIUVMCLO-LJQANCHMSA-N 469.566 5.068 50 10 JKGE Cc1cc([C@@H](Cl)c2cc(I)ccc2Br)c(Cl)cc1F 300463852 HJVOHSYOMSROGX-AWEZNQCLSA-N 473.938 6.483 50 10 JKGE BrCc1ccc(I)c2scc(I)c12 306937370 LAIDJRKQJJQPOI-UHFFFAOYSA-N 478.918 5.005 50 10 JKGE C[C@@H]1[C@H](n2c(CCCl)nc3cc(F)c(Br)cc32)CCN1Cc1ccccc1 312714940 GPVPKBGHZZNUST-AUUYWEPGSA-N 450.783 5.555 50 10 JKGE CC(C)(C)C[C@@H](CBr)NC(=O)c1cc(Br)ccc1Br 393465003 HTTSTUJSUWUMFL-JTQLQIEISA-N 456.016 5.141 50 10 JKGE O=C(N[C@@H](CBr)c1ccccc1)c1scc(Br)c1Br 705420950 UQVSJHXXNUONQM-JTQLQIEISA-N 468.008 5.139 50 10 JKGE Cc1sc([C@@H](Br)c2ccc(OCc3ccccc3)cc2)c(C)c1Br 724926959 CEJCRHKYIAZQAH-IBGZPJMESA-N 466.238 7.191 50 10 JKGE CC(C)(C)OC(=O)N1C[C@H](CI)[C@H](c2ccccc2C(F)(F)F)C1 725411494 SMNHWIUTVMZKLW-WCQYABFASA-N 455.258 5.091 50 10 JKGE COc1cc(/C=C(\C#N)C(=O)Nc2ccc(C)cc2)cc(Br)c1OCc1ccccc1 1083930216 CFXIDWKOELCCGD-UDWIEESQSA-N 477.358 5.891 50 10 JKGE Cc1ccc(-n2c(C)c(Br)c(C=NNC(=O)CSCc3ccccc3C)c2C)c(C)c1 1084103428 YMBJTWOLTHWIGL-UHFFFAOYSA-N 498.490 6.165 50 10 JKGE Cc1c(/C=C(\C#N)C(=O)N2CCN(c3ccccc3)CC2)c2ccccc2n1Cc1ccccc1Cl 1084549461 PTYHCFRCGWQCSN-LYBHJNIJSA-N 495.026 5.907 50 10 JKGE FC(F)(F)Oc1ccccc1[C@@H]1CN(Cc2ccccc2)C[C@H]1CI 1614621715 HZMJZDKVUPDMMK-NVXWUHKLSA-N 461.265 5.236 50 10 JKGE CCOc1ccc(NC(=O)c2oc3c(c2C)C(=NNC(=O)c2cccc(Cl)c2)CCC3)cc1 1772746500 WLSCCSXHEXMWIV-UHFFFAOYSA-N 465.937 5.363 50 10 JKGE Cc1c(C(=O)Nc2ccc(Cl)c(Cl)c2)oc2c1C(=NNC(=O)Cc1ccccc1)CCC2 1772748021 HQMRZWKUIJXDPH-UHFFFAOYSA-N 470.356 5.546 50 10 JKGE N#CC1=C(N)Oc2c(c(C(F)(F)F)nn2Cc2ccc(Cl)cc2)[C@@H]1c1cccc(Cl)c1 1865683027 DEHYJJFMDYHJLL-MRXNPFEDSA-N 465.262 5.475 50 10 JKGE CCCc1nn(Cc2cc(C)ccc2C)c2c1[C@@H](c1ccc(OCC)c(OC)c1)C(C#N)=C(N)O2 1865694731 AESBEWWOGLZIFR-VWLOTQADSA-N 472.589 5.126 50 10 JKGE COc1ccc(-c2nn(Cc3ccc(C)cc3)c3c2[C@@H](c2cccc([N+](=O)[O-])c2)C(C#N)=C(N)O3)cc1 1865705914 JGKAYQKNAHPHHU-DEOSSOPVSA-N 493.523 5.042 50 10 JKGE N#CC1=C(N)Oc2c(c(-c3ccccc3)nn2-c2ccc(Cl)c(Cl)c2)[C@H]1c1ccc(F)cc1 1865708420 WNPPYAFQQRUQFA-NRFANRHFSA-N 477.326 6.203 50 10 JKGE Cc1ccc(Cn2nc(-c3ccccc3)c3c2OC(N)=C(C#N)[C@H]3c2ccccc2[N+](=O)[O-])cc1 1865710380 WTYDDMXBJIWJJF-HSZRJFAPSA-N 463.497 5.033 50 10 JKGE CCc1nn(-c2ccc(Cl)cc2)c2c1[C@H](c1cccc(OCc3ccccc3)c1)C(C#N)=C(N)O2 1865712036 OKUVDAXQFCGKOE-RUZDIDTESA-N 482.971 5.885 50 10 JKGE COc1ccc([C@@H]2C(C#N)=C(N)Oc3c2c(-c2ccccc2)nn3Cc2ccccc2Cl)cc1 1865713292 VTJZXHJDIMFMIV-HSZRJFAPSA-N 468.944 5.479 50 10 JKGE CSCC[C@@H](NC(=O)C[C@@H](c1ccc(F)cc1)C(C)C)C(=O)Nc1ccc(SC#N)cc1 1866751750 BQASWDXKCBBTEH-FGZHOGPDSA-N 473.639 5.405 50 10 JKGE CC[C@@](C)(NC(=O)[C@@H](c1ccc(OC)cc1)C1CCCC1)C(=O)Nc1ccc(SC#N)cc1 1867014840 ZKEUUOOMZLQNSH-ZEQKJWHPSA-N 465.619 5.466 50 10 JKGE Cc1[nH]nc(C(=O)N[C@@H](C(=O)Nc2ccc(SC#N)cc2)c2ccccc2)c1-c1ccccc1 1867275642 AXVKDDGWSBQXOD-HSZRJFAPSA-N 467.554 5.068 50 10 JKGE CC(C)(C)c1ccc([C@@H]2CCCN2c2cc(Nc3ccc(SC#N)cc3)nc(C(C)(C)C)n2)cc1 1868342173 MSKPGMVBLRASHR-DEOSSOPVSA-N 485.701 7.730 50 10 JKGE O=C1/C(=C/c2ccccc2Br)Oc2cc(OCc3cccc(CCl)c3)ccc21 1871436938 DEQKKNJGESTDOP-JJFYIABZSA-N 455.735 6.383 50 10 JKGE CC[C@@H](C)[C@H](/C(O)=C(\C#N)c1nc(-c2cccc(Cl)c2)cs1)N1C(=O)c2ccccc2C1=O 1872748457 YAQRHXZJDJPWEM-UCNANMCJSA-N 477.973 5.967 50 10 JKGE CC(C)c1ccc(-c2csc(/C(C#N)=C(\O)c3ccc4c(c3)C(=O)N(C3CCCCC3)C4=O)n2)cc1 1872751880 GFCPTLVJWUPSPS-LCUIJRPUSA-N 497.620 6.812 50 10 JKGE CCc1cccc(C)c1N1C[C@H](/C(O)=C(\C#N)c2nc(-c3ccc(OC)cc3OC)cs2)CC1=O 1872755413 LVIZUODANTUZLN-ZMRQUTOFSA-N 489.597 5.544 50 10 JKGE Brc1cc(Br)c([C@@H](Br)C2CC(Br)C2)s1 1893072268 JKBOPYRPMURWFZ-YXFGPURMSA-N 467.846 5.883 50 10 JKGE Clc1cc([C@@H](Cl)c2cc(I)sn2)sc1Br 1909889451 QKSATALGBOHKDG-ZETCQYMHSA-N 454.967 5.553 50 10 JKGE C[C@@H]1CN(Cc2ccccc2)CC[C@@H]1n1c(CCl)nc2c(Br)cc(F)cc21 1912683299 GAXMFFRMYLFLKO-KDOFPFPSSA-N 450.783 5.760 50 10 JKGE C[C@H](Br)CN(Cc1ccccc1)S(=O)(=O)c1c(Cl)cccc1Br 1914636364 GOORJFJOQZDKHG-LBPRGKRZSA-N 481.637 5.077 50 10 JKGE O=C(COc1ccc(Cl)cc1Cl)N(Cc1ccccc1)C1(CBr)CCC1 1915759392 CMHCHOZRPRNBSG-UHFFFAOYSA-N 457.195 5.719 50 10 JKGE Cc1cc(C)c([C@H](Br)c2sc(Br)c(C)c2Br)c(C)c1 1922900123 GVELSVNMMHUZAV-ZDUSSCGKSA-N 467.064 6.991 50 10 JKGE Clc1ccc([C@H](Br)c2sc(Br)cc2Br)s1 1922921973 WXAAHLGHVSSVGA-QMMMGPOBSA-N 451.430 6.472 50 10 JKGE Cc1c(Br)sc([C@H](Br)[C@@H]2[C@H](C)O[C@@H](C)[C@@H]2C)c1Br 1922953615 FTCLMDXGTJAJKU-XIVAGEJCSA-N 461.057 6.077 50 10 JKGE Cl[C@H](Cc1ccncc1Br)c1cccc(Br)c1Br 1924016001 JDDWOUXLRJMGCA-GFCCVEGCSA-N 454.387 5.892 50 10 JKGE CN(CCN(Cc1ccccc1)c1ccc(CBr)cc1C(F)(F)F)Cc1ccccc1 1946826481 LRTSTUIXGPRCLB-UHFFFAOYSA-N 491.395 6.739 50 10 JKGE Clc1cccc(Cl)c1C[C@@H](Br)c1csc(I)c1 1998125575 JSRMKPCUIZSDOS-SECBINFHSA-N 461.977 6.338 50 10 JKGE FC1(F)CCOC[C@@H]1[C@@H](Br)c1cc(Br)c(Br)s1 2001816646 DSOCJIMRLLVGFI-SVGQVSJJSA-N 454.956 5.381 50 10 JKGE CC(C)(C)OC(=O)NCCSSCCNCc1ccc(Cl)c(Br)c1F 2061267310 AVXCECGGMPURDW-UHFFFAOYSA-N 473.861 5.237 50 10 JKGE C=C(C)[C@H](CC[C@](C)(O)[C@@H]1CC[C@]2(C)[C@@H]1CC[C@H]1[C@]2(C)CC[C@H](C(=C)C)[C@@]1(C)CCC(=O)O)OO 2069577919 OMFAFUDUOLRUGX-ZLLJIQLNSA-N 490.725 7.258 50 10 JKGE CCN(C[C@@](C)(CBr)OCc1cc(Cl)ccc1Br)C(=O)OC(C)(C)C 2080305149 RFCDBOGPJLCQBZ-GOSISDBHSA-N 499.671 6.030 50 10 JKGE Cc1cc([C@@H](Cl)c2sc(C)c(Br)c2C)ccc1I 2086019621 LUTMVACDVYLVDP-CYBMUJFWSA-N 455.586 6.369 50 10 JKGE Cc1cc(Br)c([C@H](Br)C2(C)C(C)(C)C2(C)C)cc1Br 2087368988 LOVYQSMPFUMTRI-ZDUSSCGKSA-N 453.056 7.028 50 10 JKGE COc1ccc([C@H](Br)c2c(Br)cccc2Br)cc1Cl 2094091564 VKMPAGIKHBVAHT-AWEZNQCLSA-N 469.398 6.358 50 10 JKGE CC(C)CO[C@H](C)COc1c(Br)cc(CBr)cc1Br 2109219836 PBCABLUHRKJWFY-SNVBAGLBSA-N 459.016 5.546 50 10 JKGE Cc1c(Cl)cc([C@H](Br)Cc2cccc(Br)c2)cc1Br 2111087518 VCVINLZHGTWCSO-CQSZACIVSA-N 467.426 6.852 50 10 JKGE Fc1ccc(I)cc1[C@H](Cl)c1cc(C2CC2)c(Br)s1 2113350868 JPSSHIKFCSHGAR-ZDUSSCGKSA-N 471.560 6.460 50 10 JKGE Fc1cccc([C@@H](CBr)Cc2cc(Br)ccc2Br)c1 2118525265 RQVRDWJCOPVJNT-GFCCVEGCSA-N 450.971 6.072 50 10 JKGE FC(F)(F)[C@H]1CN(Cc2ccccc2)CCN1c1cccc(Br)c1CBr 2130160110 RRALWINKGWCWDY-GOSISDBHSA-N 492.177 5.597 50 10 JKGE CC[C@@]1([C@H](Br)c2c(C)c(Br)cc(C)c2Br)CCCO1 2136367889 CABHAANUWGYGOY-CABCVRRESA-N 455.028 6.224 50 10 JKGE Clc1c(Br)sc(Br)c1[C@H](Br)C1C2(CCC2)C12CCC2 2139148746 TYNSPHMWWTVFHW-QMMMGPOBSA-N 489.498 7.333 50 10 JKGE CCn1ncc(Br)c1[C@H](Br)c1cc(C)c(Br)cc1OC 2150663788 JAOZJPCCNIMPMQ-CYBMUJFWSA-N 466.999 5.229 50 10 JKGE C[C@H](Cl)c1nc2cc(I)ccc2n1[C@H]1CC(C)(C)[C@@H]1OCc1ccccc1 2156372229 FJGGBLPJGOVWTA-PNHOKKKMSA-N 494.804 6.497 50 10 JKGE ClCCc1nc2cc(Cl)c(Br)cc2n1[C@]12C[C@@H]1CN(Cc1ccccc1)C2 2169008707 GMAHGUFJICJALY-VFNWGFHPSA-N 465.222 5.465 50 10 JKGE O=C(NCC[C@@H]1CCCC[C@@H]1Br)c1c(Br)cccc1Br 2179629871 PQVQWLOXXFARIJ-QWRGUYRKSA-N 468.027 5.285 50 10 JKGE CCn1cc(Br)c([C@@H](Br)c2cc(Br)c(OC)cc2C)n1 2198733235 UAOQJLSNIXMAEG-ZDUSSCGKSA-N 466.999 5.229 50 10 JKGE Cc1cc(Br)c(C)c([C@@H](Br)[C@H]2OCCOC2(C)C)c1Br 2201074497 RZMNUXKFGQCOHZ-ZIAGYGMSSA-N 471.027 5.458 50 10 JKGE COc1cc(F)c([C@@H](Br)c2cc(F)ccc2Br)cc1Br 2202903541 GGBOLRYEJGMJDV-AWEZNQCLSA-N 470.933 5.983 50 10 JKGE CC(C)OC[C@H](Cl)Cc1sc(Br)c(Br)c1Br 2212201670 ZHOSDYBYBJEPJH-ZCFIWIBFSA-N 455.437 5.611 50 10 JKGE Cc1ccc(C(=O)N(Cc2ccccc2)[C@@H](CCl)C2CC2)cc1I 2212991260 VFSIQKVOGVWLLN-IBGZPJMESA-N 453.751 5.259 50 10 JKGE Cc1cc(Br)c([C@@H](Br)c2sncc2Br)c(C)c1Cl 2217610735 LUUMZALXYNJTOT-SNVBAGLBSA-N 474.443 6.423 50 10 JKGE Cc1ccc([C@@H](Br)c2c(C)sc(Br)c2C)c(Br)c1 2218798686 AROBFGNZTVEACS-CYBMUJFWSA-N 453.037 6.683 50 10 JKGE BrC[C@H](Cc1ccccc1Br)Cc1ncsc1Br 2219010377 DHUWWWXGPOENSM-SECBINFHSA-N 454.025 5.464 50 10 JKGE FC1(F)[C@H]([C@H](Br)c2c(Br)cc(Cl)c(Cl)c2Cl)C12CC2 2224325383 XVNGBFFIUQSRLZ-GMSGAONNSA-N 455.351 6.891 50 10 JKGE Fc1cc(F)cc([C@H](Br)c2cc(Br)c(Br)cc2F)c1 2225618139 UWKNNJQNABYJDS-ZDUSSCGKSA-N 458.897 6.113 50 10 JKGE COC[C@@H]1CC[C@@H]([C@H](Br)c2cc(Br)c(Br)cc2F)C1 2225619464 JKKUIHBNHVKAOM-NUPCCRGMSA-N 458.991 5.849 50 10 JKGE C[C@H](Cl)c1nc2cc(Br)c(Br)cc2n1C1CC(Br)C1 2225697709 SQMHWAXZYGBSPM-KKMMWDRVSA-N 471.418 5.960 50 10 JKGE CC[C@]1([C@@H](Br)c2c(Br)cc(C)c(Br)c2C)CCCO1 2227361323 BQNNFNCYWFTAKB-LSDHHAIUSA-N 455.028 6.224 50 10 JKGE Cc1cc(Br)c([C@H](Br)[C@H]2CCCOCC2)c(C)c1Br 2227361685 GDTFZRZHGRRUFQ-XHDPSFHLSA-N 455.028 6.081 50 10 JKGE CC(F)(F)C1([C@H](Br)c2c(Br)cc(Cl)c(Cl)c2Cl)CCC1 2232517672 VJFUOPHYDUXYFF-LLVKDONJSA-N 471.394 7.671 50 10 JKGE Clc1cc(Br)c([C@H](Br)[C@@H]2CC[C@H]3C[C@H]2CO3)c(Cl)c1Cl 2232518412 CAKBHQMVRFBAGA-OUDXYJABSA-N 463.424 6.660 50 10 JKGE Fc1cc(Br)cc2c1nc(CCl)n2[C@H]1CCCCN(Cc2ccccc2)C1 2232925149 ZJAATYMSGDFOQD-KRWDZBQOSA-N 450.783 5.904 50 10 JKGE COc1c([C@@H](Br)c2nscc2Br)cc(Br)c(C)c1C 2269111443 SCECJZBZIIEXLD-LLVKDONJSA-N 470.024 5.778 50 10 JKGE CC(C)C(C(C)C)[C@@H](Br)c1c(F)cc(Br)c(F)c1Br 2272850342 UELOLVPGDOBUFR-GFCCVEGCSA-N 462.998 6.854 50 10 JKGE Clc1c(Br)cccc1[C@@H](Cl)c1cc2sc(Br)cc2s1 2278025535 LBXGADZWIOHQBZ-CYBMUJFWSA-N 457.039 7.469 50 10 JKGE COc1ccc([C@H](Br)[C@H]2[C@@H]3[C@H]2CCCC3(F)F)cc1I 2285004893 UWIGWGUUGUNVNV-VZLIPTOUSA-N 457.096 5.417 50 10 JKGE Cc1ccc(N2C(=O)[C@H](Cc3cccc(C)c3)SC2=C(C#N)C(=O)Nc2ccccc2)cc1 2293039006 SJXCSUOVXKLHCW-DEOSSOPVSA-N 453.567 5.368 50 10 JKGE COc1c(Br)cc(Cl)c(C)c1[C@@H](Br)c1cnn(C)c1Br 2295361284 ZCLHOQUOAXPHKP-NSHDSACASA-N 487.417 5.400 50 10 JKGE Cc1cc(Br)c(F)c([C@@H](Br)c2cc3sc(Br)cc3s2)c1 2295401033 BGSNMCSEJLYARG-CYBMUJFWSA-N 499.062 7.420 50 10 JKGE Cc1ccc(C[C@@H]2SC(=C(C#N)C(=O)Nc3ccccc3)N(c3ccccc3)C2=O)cc1Cl 2296506989 OFPNWAGYOLPOBI-QHCPKHFHSA-N 473.985 5.713 50 10 JKGE CCCSc1ccc(-c2nn(-c3ccccc3)cc2C=C(C#N)c2nc3ccccc3n2C)cc1 2296545432 QEYIOEHUYODGMP-UHFFFAOYSA-N 475.621 6.992 50 10 JKGE C=CCOc1ccc(-c2nn(-c3ccccc3)cc2C=C(C#N)C(=O)N[C@H](C)c2ccccc2)cc1C 2296730258 MYVYRAVFAMWUSI-HSZRJFAPSA-N 488.591 6.197 50 10 JKGE CC1(C)CO[C@@H]([C@H](Br)c2ccc(OCc3ccccc3)cc2Br)C1 2299490181 WPXVMVLRYAIHEH-RTBURBONSA-N 454.202 6.279 50 10 JKGE CCc1ccc([C@H](Br)c2ccc(OCc3ccccc3)cc2Br)s1 2299491858 BFWRAPPBFDHMKG-HXUWFJFHSA-N 466.238 7.136 50 10 JKGE Brc1ccc(OCc2ccccc2)c([C@H](Br)[C@H]2C[C@@]23CCOC3)c1 2299504905 RDRWHESJHJBAAE-YZGWKJHDSA-N 452.186 5.891 50 10 JKGE FC1(F)C[C@]12C[C@@H]2[C@@H](Br)c1cc(Br)ccc1OCc1ccccc1 2299535016 KLSFLMZIWFFWJB-NJAFHUGGSA-N 458.140 6.509 50 10 JKGE COc1cc(C=C(C#N)C(=O)Nc2ccc(Cl)c(Cl)c2)cc(Br)c1OC(C)C 2313630875 GYMNTOMYWKZXGV-UHFFFAOYSA-N 484.177 6.097 50 10 JKGE Cc1cccc(C)c1[C@H](Br)c1cc(Br)ccc1OCc1ccccc1 2314449564 QZSRFKMGZNVLAX-JOCHJYFZSA-N 460.209 7.129 50 10 JKGE C[C@]1([C@H](Br)c2cc(Br)ccc2OCc2ccccc2)C[C@@H]1C(F)(F)F 2314455223 MVXYZGVEUKPBSS-KSZLIROESA-N 478.146 7.053 50 10 JKGE Cc1ccc(-c2ccc(C=C(C#N)C(=O)Nc3ccc([N+](=O)[O-])cc3Cl)o2)c([N+](=O)[O-])c1 2314490322 ZSLFCZAVJDOYIQ-UHFFFAOYSA-N 452.810 5.271 50 10 JKGE CCOc1cc(C=C2C(=O)N(C(C)C)C(=O)C(C#N)=C2C)ccc1OCc1ccccc1Cl 2314610978 OTFVIOLSVQUUJT-UHFFFAOYSA-N 464.949 5.318 50 10 JKGE FC1(F)[C@H]2C[C@H]([C@H](Br)c3sc(Cl)cc3I)CC[C@H]21 2316600767 KLNYRBFRDJRWNV-JQCUSGDOSA-N 467.544 6.124 50 10 JKGE CCOc1cc(C(O)=C(C#N)c2nc(-c3c(C)c(C)cc(C)c3C)cs2)cc(OCC)c1OCC 2331364429 DCSHKIOGZYTBBO-UHFFFAOYSA-N 492.641 7.190 50 10 JKGE CCCCC1CCC(C(O)=C(C#N)c2nc(-c3ccc(OC)c(OC)c3OC)cs2)CC1 2331412813 JTIZNRDPFCMSOA-UHFFFAOYSA-N 456.608 6.625 50 10 JKGE Cc1ccccc1COc1ccc(C=C(C#N)c2nc(-c3cccc([N+](=O)[O-])c3)cs2)cc1 2331416034 IDJHBMMETCHDBI-UHFFFAOYSA-N 453.523 6.670 50 10 JKGE COc1ccc(OC)c(-c2csc(C(C#N)=Cc3ccc(OCc4ccccc4C)cc3)n2)c1 2331450658 JZVRCQUZTRLJAF-UHFFFAOYSA-N 468.578 6.779 50 10 JKGE COc1cc(C=C(C#N)c2nc(-c3c[nH]c4ccccc34)cs2)cc(Br)c1O 2331460127 OKJUWWARBHSCQZ-UHFFFAOYSA-N 452.333 5.832 50 10 JKGE Cc1cc(Br)c(C)c([C@@H](Br)[C@@H]2C[C@H]2C2CCC2)c1Br 2332925910 UDCLCCXIXXEDTG-OZVIIMIRSA-N 451.040 6.701 50 10 JKGE Cn1ncc([C@H](Cl)c2c(F)cc(Cl)c(Br)c2Cl)c1Br 2335369344 PWIBZTRLNWSHCY-VIFPVBQESA-N 451.348 5.719 50 10 JKGE Fc1c(Br)cc(Cl)c([C@H](Br)[C@@H]2C[C@]23CCOC3)c1Br 2337084468 LSEWFSHYHKPRJF-ULTOFOOGSA-N 477.393 5.867 50 10 JKGE Fc1c(Br)cc(Cl)c([C@H](Br)CC2C[C@@H]3C[C@H]3C2)c1Br 2337085301 WQXQESJBEASKGZ-IWSPIJDZSA-N 475.421 6.876 50 10 JKGE CC1(C)CCCN(Cc2ccc(Cl)c(I)c2)[C@@H]1CBr 2337219746 WBVVLWIFVTZIST-CQSZACIVSA-N 456.593 5.330 50 10 JKGE Clc1cc(I)c([C@@H](Br)[C@H]2CC3(CCCCC3)CO2)s1 2338779666 XZPWJUPPFQAXOA-PWSUYJOCSA-N 475.617 6.182 50 10 JKGE COc1c(Br)cc(C)c([C@H](Cl)c2cocc2Br)c1Br 2339650328 FBQYTGBZHBKSCS-GFCCVEGCSA-N 473.386 6.212 50 10 JKGE Cc1cc(Br)c(F)c(Br)c1[C@H](Br)[C@@H]1C[C@H]2CCC[C@@H]21 2339654664 UHHVNPHKAUKCJB-BSTOTGJRSA-N 455.003 6.531 50 10 JKGE Cc1cc(Br)c(F)c(Br)c1[C@H](Br)[C@H]1C[C@@]12CC2(F)F 2339687653 YEMSKHVNNAHFLN-AKGNYGMASA-N 462.929 6.140 50 10 JKGE ClCc1ccc(Cl)cc1OCc1cc(I)ccc1Br 2341780838 RLTRNCWTSBYLDC-UHFFFAOYSA-N 471.947 6.025 50 10 JKGE Clc1ccc(I)cc1CN1[C@@H](CBr)CCC12CCC2 2352432246 QMPMIHLVCWADAN-CYBMUJFWSA-N 454.577 5.227 50 10 JKGE Cc1cc(Br)c([C@H](Br)[C@H]2C[C@@H](C(F)(F)F)C2)cc1Br 2352758527 JCEXZPOLBKGOGM-RGNHYFCHSA-N 464.945 6.545 50 10 JKGE O=S1(=O)C[C@@H]2CCC[C@@]2([C@@H](Cl)c2cc(Br)ccc2OCc2ccccc2)C1 2361171767 MJRATYGWDCBPJB-ORYQWCPZSA-N 469.828 5.523 50 10 JKGE FC1(F)C2(CC2)C12CC([C@H](Br)c1cc(Br)ccc1OCc1ccccc1)C2 2361198594 RIYNSSLWOXIMDR-RNFHDMOYSA-N 498.205 7.290 50 10 JKGE Clc1cccc([C@H](CBr)OCc2cc(Br)cc(Br)c2)c1 2362235822 AJCQJAPEBRKOSB-HNNXBMFYSA-N 483.425 6.518 50 10 JKGE FC(F)(F)[C@H]1C[C@@H](Br)CCN1Cc1ccc(Cl)c(I)c1 2362368122 KDAZHYYTAAZHLG-JOYOIKCWSA-N 482.509 5.235 50 10 JKGE Cc1cc(Br)c(F)c(Br)c1[C@H](Br)[C@@H]1CC2CCC1CC2 2365178179 ICBINWCPOYMIDU-BXTUAPDASA-N 469.030 6.921 50 10 JKGE COc1cc(F)c(Cl)cc1[C@H](Br)c1ccc(Cl)cc1I 2365596978 YWSVZCSLWPNJKX-CQSZACIVSA-N 489.937 6.230 50 10 JKGE COc1cc([C@H](Br)c2c(Br)cc(C)c(Cl)c2C)sc1Cl 2365840743 PFJYETLJPXFUEQ-LBPRGKRZSA-N 459.030 6.927 50 10 JKGE Cc1ccc(C[C@H]2S/C(=C(\C#N)C(=O)Nc3ccc(C)cc3)N(c3ccccc3)C2=O)cc1 2334686 GPMSFHKLFMHANB-GUNDDFSMSA-N 453.567 5.368 50 10 JKGE Cc1ccccc1C(=O)Nc1ccc(C(=O)NNC(=O)c2sc3ccccc3c2Cl)cc1 12578909 YLRNEVUJMJUMMZ-UHFFFAOYSA-N 463.946 5.190 50 10 JKGE COc1ccc(/C(C#N)=C\c2ccc(OC(=O)c3c(F)cccc3Cl)c(OC)c2)cc1OC 31902072 MRHPVOWQCZQSSG-BOPFTXTBSA-N 467.880 5.788 50 10 JKGE COc1cc(/C=C(/C#N)c2ccc(Cl)cc2)ccc1OC(=O)c1ccc(Br)o1 31902161 SYERYRYFBFHNNG-GDNBJRDFSA-N 458.695 5.987 50 10 JKGE CC(C)CC(=O)Nc1ccc(C(=O)NN=C(/C=C\c2ccccc2)/C=C\c2ccccc2)cc1 34918422 UYAUSFYKPULYDR-JTFWXBGUSA-N 451.570 6.184 50 10 JKGE CCCOc1ccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4ccc(OC(C)C)cc4)ccc32)cc1 38650668 BVLURSCAUWCTGV-MHZLTWQESA-N 484.552 5.700 50 10 JKGE CCc1ccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4ccc(C(C)(C)C)cc4)ccc32)cc1 38676784 JDTXHRUOFLRJJU-AREMUKBSSA-N 452.554 5.984 50 10 JKGE CCCCC1CCC(C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@H]3c2ccc(SC)cc2)CC1 38700745 ILMMDVSFGOCERM-OWRPTYIMSA-N 476.642 6.529 50 10 JKGE O=C(CCCc1c(-c2ccccn2)[nH]c2ccccc12)NNC(=O)COc1ccc(Cl)cc1Cl 39846661 ZSWKOJJMFCCYCM-UHFFFAOYSA-N 497.382 5.086 50 10 JKGE Cc1cc(OC(=O)c2oc3c(c2C)/C(=N/NC(=O)COc2ccccc2)CCC3)cc(C)c1Cl 40816225 NXAGYTATPWONRA-VFCFBJKWSA-N 480.948 5.313 50 10 JKGE Cc1ccc2c(CC(=O)N/N=C3\CCCc4oc(C(=O)Oc5ccc(F)cc5)c(C)c43)coc2c1C 40826809 AYQJIDMOAYRUAE-JBASAIQMSA-N 488.515 5.709 50 10 JKGE COc1cc(/C=N/NC(=O)c2cccc(C)c2)cc(Br)c1OCc1ccccc1Cl 58871569 KHTCPRDQGHJURO-LGJNPRDNSA-N 487.781 5.762 50 10 JKGE COc1ccc(NC(=O)/C(C#N)=C/c2cn(Cc3ccc(Cl)c(Cl)c3)c3ccccc23)cc1 59201235 OGZZRFAPFLEPGD-QGOAFFKASA-N 476.363 6.551 50 10 JKGE C=CCc1cc(/C=N/NC(=O)c2ccc(-n3c(C)ccc3-c3ccccc3)cc2)cc(OC)c1OCC 59303854 SHGXYHAZHOJYLI-RUMWWMSVSA-N 493.607 6.352 50 10 JKGE Cc1cc(/C=C(/C#N)C(=O)Nc2ccc3ccccc3c2)c(C)n1-c1ccc(-c2ccccc2)cc1 59399142 MAKGBQWQMJNPNI-CEUNXORHSA-N 467.572 7.460 50 10 JKGE COc1c(Cl)cc(/C=N/NC(=O)c2cc3cc(Br)ccc3o2)cc1Br 59680010 YMXRYOHYHPGOMN-ODCIPOBUSA-N 486.547 5.384 50 10 JKGE C[C@H]1C[C@H](N(C(=O)NCCCl)c2ccccc2)c2ccccc2N1C(=O)c1ccc(Cl)cc1 72441407 MDKZETIEWYQUSI-UUOWRZLLSA-N 482.411 6.275 50 10 JKGE C[C@@H](c1ccc(Cl)s1)n1c(CCCl)nc2cc(I)ccc21 97354349 YLSMBSPCWSBRNV-VIFPVBQESA-N 451.160 5.746 50 10 JKGE CC1(C)[C@@]2(C(Br)Br)CC[C@@]1(C(=O)NC1CCCCC1)[C@@H]2Br 100869233 CYSNTGZZZNMMAL-RLCCDNCMSA-N 486.086 5.121 50 10 JKGE COC(=O)c1c(N/C=C(\C#N)c2nc(-c3cc4ccccc4oc3=O)cs2)sc(C(C)=O)c1C 102599882 KQRDUOYYOCHJTH-XNTDXEJSSA-N 491.550 5.252 50 10 JKGE COc1cc(OC)cc([C@H](Br)c2cc(Br)ccc2Br)c1 109844924 KSPBFHKNEGZXSY-HNNXBMFYSA-N 464.979 5.713 50 10 JKGE Cc1cc(Br)c([C@H](Br)Cc2ccc(Cl)cc2)cc1Br 128820522 MQCAXBPMZDODRU-OAHLLOKOSA-N 467.426 6.852 50 10 JKGE COc1cc([C@@H](Br)c2cccc(Br)c2)c(OC)cc1Br 134294716 UFEXWFSNFBMVGN-HNNXBMFYSA-N 464.979 5.713 50 10 JKGE Clc1ccc(Br)cc1[C@H](Cl)c1csc2c(Br)cccc12 163501556 MFUBQYMAZFAZIO-AWEZNQCLSA-N 451.010 7.408 50 10 JKGE COc1cc(Cl)c([C@@H](Br)c2ccc(Br)cc2OC)cc1Cl 164529607 KJBXFCGMLVSTGY-HNNXBMFYSA-N 454.973 6.257 50 10 JKGE CCCOc1c(Cl)cc(/C=N\NC(=O)CSc2nc3ccccc3s2)cc1Cl 169892982 GTRAZJOKRIWUNE-YVNNLAQVSA-N 454.404 5.634 50 10 JKGE CCOc1cc(/C=N/NC(=O)c2cc3ccccc3n2C)ccc1OCc1cc(C)ccc1C 169926077 RVWAMFUWQCQBNO-STBIYBPSSA-N 455.558 5.537 50 10 JKGE C[C@]12CC3CC([C@@H](Br)c4cc(Cl)c(Br)s4)(C1)C[C@](C)(C3)C2 226737319 QCVGBCHMXLECMB-MFSVOEKMSA-N 452.683 7.597 50 10 JKGE O=C(Nc1ccc(CCBr)cc1)c1ccc(I)c(Cl)c1 232349010 XXNGKAZEOVHACK-UHFFFAOYSA-N 464.528 5.134 50 10 JKGE CCOc1ccc(Br)cc1[C@@H](Cl)c1ccc(F)cc1I 233780489 IKRDYZDSDBZDJN-HNNXBMFYSA-N 469.519 5.920 50 10 JKGE COc1cc(F)c(Br)cc1[C@H](Br)c1cc(Br)ccc1Cl 234912558 KYAVRUVJHCUZIL-CQSZACIVSA-N 487.388 6.497 50 10 JKGE O=C(NN=Cc1c(O)ccc2ccccc12)c1cc(-c2cccc(OCc3ccccc3)c2)n[nH]1 254292236 IJJVGGOMHFUSTL-UHFFFAOYSA-N 462.509 5.278 50 10 JKGE Cc1ccc(C(=O)Nc2nnc(CC(=O)NN=Cc3c4ccccc4cc4ccccc34)s2)cc1 254501504 NJFDXQJUYBDSFW-UHFFFAOYSA-N 479.565 5.098 50 10 JKGE CCC(=NNC(=O)c1cc(-c2ccc(CC)cc2)nc2c(Cl)cccc12)c1ccc(C)s1 254714389 WPMHUNXUUGQUAH-UHFFFAOYSA-N 462.018 7.032 50 10 JKGE CCOc1cc(C=NNC(=O)Cc2ccccc2)ccc1OC(=O)c1cccc2ccccc12 254836374 JYZQEOFBJFZBAS-UHFFFAOYSA-N 452.510 5.151 50 10 JKGE BrCc1ccc(Br)cc1N1C[C@H]2CCN(Cc3ccccc3)C[C@@H]2C1 310795889 ACWLLXBQEGHGMH-RTBURBONSA-N 464.245 5.302 50 10 JKGE Clc1ccc(Cl)c([C@H](Br)c2cc(I)cc3c2OCC3)c1 312400501 VBVNXANKHADJFF-AWEZNQCLSA-N 483.958 6.017 50 10 JKGE Cn1ncc([C@@H](Cl)c2cc(Cl)c(Cl)c(Cl)c2Cl)c1I 404721851 KVMXCSHBAUSERG-ZETCQYMHSA-N 470.352 5.967 50 10 JKGE C[C@@H]1C[C@@H](n2c(CCCl)nc3ccc(F)c(Br)c32)CN1Cc1ccccc1 689776466 XMDQAMSJNARJFZ-GDBMZVCRSA-N 450.783 5.555 50 10 JKGE CCC(CC)([C@@H](Br)c1cc(Br)c(C)cc1Br)C(F)(F)F 690975327 BPEVOGCGUOLWTL-LBPRGKRZSA-N 480.988 7.325 50 10 JKGE FC(F)(F)c1ccc(Cl)c([C@H](Cl)c2cc(Br)c(Br)s2)c1 695012683 DRMWREWHWNIYAV-JTQLQIEISA-N 468.947 7.274 50 10 JKGE Brc1cc2c(cc1[C@H](Br)c1ccsc1Br)OCCO2 698575834 MZBLTWHEADAMOI-GFCCVEGCSA-N 468.992 5.529 50 10 JKGE Brc1ccoc1[C@H](Br)c1cc(Br)c2c(c1)CCCO2 699946759 QUVIZGHHLOURKG-GFCCVEGCSA-N 450.952 5.614 50 10 JKGE O=C(Nc1ccc(OC(F)(F)F)cc1)N(CCc1cccc([N+](=O)[O-])c1)N=Cc1cccc(F)c1 1088690854 BPYWBDYYORWFKD-UHFFFAOYSA-N 490.413 5.743 50 10 JKGE COc1cc(C=NNC(=O)[C@H](C)Oc2ccc(-c3ccccc3)cc2)ccc1OCCc1ccccc1 1772755984 WVDMPGBLFKNTMI-QHCPKHFHSA-N 494.591 5.901 50 10 JKGE COc1ccc2c(c1)c(=O)oc1cc(O[Si](c3ccccc3)(c3ccccc3)C(C)(C)C)ccc12 1848441456 ZFFOVIROTHNIOT-UHFFFAOYSA-N 480.636 5.894 50 10 JKGE CCCCOc1ccc([C@H]2C(C#N)=C(N)Oc3c2c(C)nn3Cc2c(F)cccc2Cl)cc1OC 1865696804 KZGUERFKGPTRMX-DEOSSOPVSA-N 496.970 5.438 50 10 JKGE COc1ccc([C@@H]2C(C#N)=C(N)Oc3c2c(-c2ccccc2)nn3-c2cccc(Cl)c2)cc1OC 1865707064 MWDMBKURRWTZSP-HSZRJFAPSA-N 484.943 5.428 50 10 JKGE CC[C@H](NC(=O)C[C@H](c1ccccc1)c1cccc(F)c1)C(=O)Nc1ccc(SC#N)cc1 1866784337 VGRRPSDQPPVRLD-RPWUZVMVSA-N 461.562 5.454 50 10 JKGE CC[C@@H]1Cc2cc(OC)ccc2N(c2cc(Nc3ccc(SC#N)cc3)nc(C(C)(C)C)n2)C1 1868341862 BMMWEAVWLZCUKM-GOSISDBHSA-N 473.646 6.820 50 10 JKGE COc1ccc(-c2csc(/C(C#N)=C(\O)[C@@H](C)Oc3ccc(Cl)cc3Cl)n2)cc1Cl 1872757624 OEJGGQGZSZLYOY-QTVDBSQPSA-N 481.788 7.039 50 10 JKGE CCCCc1ccc(-c2csc(/C(C#N)=C/c3ccc(OCc4ccc(Cl)cc4)cc3)n2)cc1 1872781009 RMFLPZXJEMZNBK-KOEQRZSOSA-N 485.052 8.449 50 10 JKGE CCCOc1ccc(-c2csc(/C(C#N)=C(\O)c3cc(OC)cc(OC)c3)n2)cc1OCCC 1872818347 YEIGORSMDVCAFS-DAFNUICNSA-N 480.586 6.355 50 10 JKGE CCCOc1ccc(-c2csc(/C(C#N)=C(\O)COc3ccccc3OC)n2)cc1OCCC 1872818359 YSFWXUCYXBYWBS-VZCXRCSSSA-N 480.586 6.268 50 10 JKGE COc1ccc(C)cc1-c1csc(/C(C#N)=C(\O)[C@@H]2CC(=O)N([C@H](C)c3ccccc3)C2)n1 1873920952 NEPBSPWVVLHFBJ-RRZNEMDVSA-N 459.571 5.530 50 10 JKGE Clc1cc(I)c([C@@H](Br)[C@H]2C[C@H](Br)C2)s1 1888208084 MJTPZSFKLPILRH-YQJDLUKNSA-N 470.395 5.616 50 10 JKGE Cc1c(Br)sc([C@H](Br)[C@@H]2C[C@@H]2c2ccccc2)c1Br 1922889977 ZUPOLNJRCFLFTF-NQBHXWOUSA-N 465.048 6.821 50 10 JKGE Cc1cc([C@H](Br)c2sc(Br)cc2Br)ccc1Cl 1922934511 HMNRRWUICIRSLY-NSHDSACASA-N 459.428 6.719 50 10 JKGE Brc1cc(Br)c([C@H](Br)c2cc3c(s2)CCSC3)s1 1922945064 CDYJQFSGANZERC-LLVKDONJSA-N 489.117 6.608 50 10 JKGE Fc1cc(Br)cc([C@H](Cl)c2c(Br)sc(Br)c2Cl)c1 1923040706 WCLRIUAOWBXLMQ-QMMMGPOBSA-N 497.836 7.156 50 10 JKGE FC1CC(C[C@H](Br)c2c(Br)sc(Br)c2Cl)C1 1923071004 GJQHBTCBTIUNSE-WRVKLSGPSA-N 455.412 6.501 50 10 JKGE C[C@@H](c1ccncc1Br)[C@@H](Cl)c1cccc(F)c1I 1924057518 VJMLNMWJCBMSFH-ISVAXAHUSA-N 454.508 5.671 50 10 JKGE FC1CCC([C@H](Cl)c2c(Br)sc(Br)c2Br)CC1 1924617194 ZCZIGHCAEKBEGN-BIFUPNIPSA-N 469.439 6.844 50 10 JKGE Clc1ccc([C@@H](Br)c2c(Cl)sc(Cl)c2Cl)cc1Br 1925589461 UCGMDEBVODINLP-MRVPVSSYSA-N 469.840 7.609 50 10 JKGE C[C@H](CBr)c1cc(Br)cc(Br)c1NC(=O)OC(C)(C)C 1951691196 CXJFMHJAUQPUET-MRVPVSSYSA-N 472.015 6.057 50 10 JKGE CCc1nc(C(=O)N(Cc2ccccc2)[C@@H](CBr)C(C)C)c(Br)s1 2003567583 FUZACCZRCGQSLK-AWEZNQCLSA-N 474.262 5.530 50 10 JKGE Cc1cc([C@H](Cl)c2sc(Cl)cc2Br)ccc1I 2026130896 NFZTVJDKGDRYPW-NSHDSACASA-N 461.977 6.405 50 10 JKGE COc1sc([C@H](Cl)c2c(Br)cccc2Br)cc1Br 2034638517 VDNOHYPUNLBLJG-NSHDSACASA-N 475.427 6.372 50 10 JKGE CCc1nc([C@H](Br)Cc2ccc(Br)cc2)c(Br)s1 2050335147 PGUXPKRPDKJVDS-SNVBAGLBSA-N 454.025 5.909 50 10 JKGE C[C@@H]1CCN(c2cc(Br)cc(F)c2CBr)CCN1Cc1ccccc1 2051131952 SSIRZSTYFBMPDR-OAHLLOKOSA-N 470.224 5.584 50 10 JKGE COCc1cc(Br)c([C@@H](Br)c2cc(Br)c(Cl)s2)s1 2052446634 VAZGRTIDEIVZFU-VIFPVBQESA-N 495.483 6.619 50 10 JKGE COc1c(Cl)cc(Br)cc1[C@@H](Br)c1occc1Br 2082861634 QJABVAVLWPATIO-SNVBAGLBSA-N 459.359 5.951 50 10 JKGE Cl[C@@H](c1cc2sccc2s1)c1cc(I)ccc1Br 2084768312 XZRZRLPPNRXRHK-CYBMUJFWSA-N 469.594 6.658 50 10 JKGE CCCc1ccc([C@H](Cl)c2ccc(Br)cc2I)s1 2086139806 TWYZHHBCXWXCIP-CQSZACIVSA-N 455.586 6.396 50 10 JKGE Cl[C@@H](c1cc(C2CC2)c(Br)s1)c1c(Br)cccc1Br 2094668145 DKYWDMKEPVEEHY-ZDUSSCGKSA-N 485.466 7.241 50 10 JKGE C[C@@H](Cl)c1nc2cc(Br)c(Cl)cc2n1[C@H](C)CN(C)Cc1ccccc1 2103808873 APOCLUZFPNUKMS-ZIAGYGMSSA-N 455.227 6.445 50 10 JKGE Cc1c(Br)sc([C@H](Br)[C@@H]2CCCCCC2(F)F)c1Br 2108661337 FNGQEXWTOWOVNU-WCBMZHEXSA-N 481.038 7.233 50 10 JKGE BrCc1cc(Br)c(O[C@H]2[C@H]3CCCCC[C@H]32)c(Br)c1 2111898154 LPNCJBYLIYZSCG-GNXNZQSNSA-N 453.012 6.064 50 10 JKGE Cc1cc(CBr)ccc1S(=O)(=O)N(Cc1ccccc1)Cc1cccs1 2123206334 QERBEROTYFVDFY-UHFFFAOYSA-N 450.423 5.343 50 10 JKGE CO[C@@H]1CC[C@H]([C@@H](Br)c2c(C)c(Br)cc(C)c2Br)C1 2136377571 QCTXTBHYNMNUDX-FIXISWKDSA-N 455.028 6.080 50 10 JKGE Cc1c(Br)ccc([C@@H](Br)C2CCC(C)(C)CC2)c1Br 2138872255 JTPZPUSESYFPHK-HNNXBMFYSA-N 453.056 7.172 50 10 JKGE Brc1ccccc1[C@@H](CI)OCCOC1CCCCC1 2143646916 BSHBIHDTLCKANC-MRXNPFEDSA-N 453.158 5.291 50 10 JKGE Brc1cccc(Br)c1[C@@H](Br)c1ccc2c(c1)CCCO2 2150492746 DHZPCFHNZZPLBE-INIZCTEOSA-N 460.991 6.021 50 10 JKGE ClCCc1nc2cc(I)ccc2n1Cc1cscc1Br 2154091417 XKGUECPUUHHUCX-UHFFFAOYSA-N 481.584 5.295 50 10 JKGE Brc1cccc(CC[C@H](Br)CN2CCCCCC2)c1Br 2155643152 JIBPJHTZUJPAHC-AWEZNQCLSA-N 468.071 5.784 50 10 JKGE ClCCc1nc2cc(Cl)c(Br)cc2n1Cc1ccn(Cc2ccccc2)n1 2169015579 OIXIIODCHLIBIX-UHFFFAOYSA-N 464.194 5.527 50 10 JKGE CC1(C)CCC[C@]12[C@@H](Br)C[C@H]2Oc1c(Br)cccc1Br 2173667684 XXPHZVCSYWIKQU-WOSRLPQWSA-N 467.039 6.323 50 10 JKGE Cc1cc(Br)c([C@H](Br)c2ccc3nsnc3c2)cc1Br 2177161619 DHGPLKOGKXYZJC-CQSZACIVSA-N 477.019 6.009 50 10 JKGE ClCc1nc2cc(I)ccc2n1[C@@H]1C[C@@H]2C[C@@H](OCc3ccccc3)C[C@H]21 2190562861 ZGBPTMPIGQTIPP-NWUWZPLHSA-N 492.788 5.936 50 10 JKGE COc1cc(C)c([C@@H](Br)c2ccc(Br)cc2C)cc1Br 2198737773 SNJSAYGCGDISDB-INIZCTEOSA-N 463.007 6.321 50 10 JKGE Cc1cc(Br)c(C)c([C@H](Br)[C@@H]2Cc3ccccc32)c1Br 2201070889 DCMTWOTXLNPMLO-CXAGYDPISA-N 459.019 6.604 50 10 JKGE COc1cc(OC)cc([C@@H](Br)c2ccc(Br)cc2Br)c1 2203688687 VLDAHXLEHSHJFZ-OAHLLOKOSA-N 464.979 5.713 50 10 JKGE ClC[C@H](Cc1cccc(Br)c1)Cc1ccc(I)c(Cl)c1 2208043679 JFZNBAHDDMODTO-CYBMUJFWSA-N 484.002 6.347 50 10 JKGE Clc1cc(Br)ccc1C[C@@H](Br)c1sncc1Br 2215853726 JPDABIALSBIWBU-MRVPVSSYSA-N 460.416 6.000 50 10 JKGE CCCn1nc(Br)cc1C[C@H](Br)c1ccc(Br)cc1 2224287283 NODDLJOFPCBWKX-ZDUSSCGKSA-N 451.000 5.497 50 10 JKGE Cn1cc(Cl)c([C@@H](Br)c2c(Br)cc(Cl)c(Cl)c2Cl)n1 2224325378 XURZYTCJVVINIH-QMMMGPOBSA-N 467.803 6.281 50 10 JKGE Fc1cc(Br)c(Br)cc1[C@@H](Br)[C@@H]1CCCCC12CC2 2225616430 FYECVBFWSZNOAL-IINYFYTJSA-N 455.003 6.757 50 10 JKGE COc1cc(C)c([C@H](Br)c2scc(Br)c2C)cc1Br 2226127530 WUDSTXXXLUFMNI-ZDUSSCGKSA-N 469.036 6.383 50 10 JKGE COc1cc(Br)c([C@@H](Br)c2cc(Br)oc2C)cc1C 2227725946 QIHZJBRJPTZEEA-AWEZNQCLSA-N 452.968 5.914 50 10 JKGE FC(F)(F)[C@@H]1CCO[C@H]1[C@H](Br)c1ccc(Br)cc1Br 2231813182 OHKNFGUWHNWIHY-FBIMIBRVSA-N 466.917 5.615 50 10 JKGE Clc1cc(CN2C[C@@H](Br)CC23CCCC3)ccc1I 2232254608 DUEZRJKPJNFIDE-LBPRGKRZSA-N 454.577 5.227 50 10 JKGE Clc1cc(Br)c([C@@H](Br)C23CCCC2CCC3)c(Cl)c1Cl 2232510904 OERNDMSCHNJIHY-OOCCNLOMSA-N 461.452 7.816 50 10 JKGE Cc1ccc([C@H](Cl)c2cc(Cl)c(Cl)c(Cl)c2Cl)cc1I 2232833323 MMDWRJMRMFRUFL-NSHDSACASA-N 480.387 7.541 50 10 JKGE Cc1cc(Br)c([C@H](Br)C2CC3(C2)CC32CC2)c(C)c1Br 2235608094 ILUCLLGURWZREC-GMQFJONSSA-N 463.051 6.845 50 10 JKGE Clc1sc(Br)c(Cl)c1[C@H](Br)c1cc(Br)co1 2244207555 FUAWBBRJYOWRAW-ZCFIWIBFSA-N 469.807 6.657 50 10 JKGE Clc1ccccc1[C@@H](CI)OC1CCN(Cc2ccccc2)CC1 2250364147 BEGUBACVNCGIGC-HXUWFJFHSA-N 455.767 5.497 50 10 JKGE Cc1cc(Br)c([C@H](Br)c2sccc2Br)c(C)c1F 2253515557 DSJJDZAZCHHZRI-NSHDSACASA-N 457.000 6.513 50 10 JKGE CCc1cc([C@@H](Br)c2ccc(F)c(Br)c2)sc1Br 2255988132 HTMLXQKHBYKOLD-LBPRGKRZSA-N 457.000 6.459 50 10 JKGE COc1ccc([C@@H](Br)c2cc(Cl)sc2Cl)cc1I 2257368138 GDDNNAUORZSEIO-LLVKDONJSA-N 477.976 6.152 50 10 JKGE Clc1cc(Br)c([C@H](Cl)c2cc(Br)co2)c(Cl)c1Cl 2258117708 LAVOYMHRVCXQRX-SNVBAGLBSA-N 453.772 7.093 50 10 JKGE Fc1cc(Br)c(F)c(Br)c1[C@@H](Br)[C@H]1C(F)(F)C12CC2 2272748118 ROFKXISMTFUKJL-PSASIEDQSA-N 466.892 5.971 50 10 JKGE Cc1cc(Br)c([C@H](Br)[C@@]23CCCC[C@@H]2CC3)cc1Br 2273339044 ALIYYTQPIOMSTG-XFBWCDHKSA-N 451.040 6.926 50 10 JKGE Fc1cccc(Br)c1COc1cccc(Br)c1CBr 2274021107 CKDABWZKWFQZAO-UHFFFAOYSA-N 452.943 5.825 50 10 JKGE COc1cc(Cl)c(Cl)cc1[C@@H](Br)c1cc(Cl)cc(Br)c1 2279047257 LNFQWQNSKARMHM-AWEZNQCLSA-N 459.392 6.902 50 10 JKGE Cc1cc(Br)c([C@H](Cl)c2c(F)cccc2I)c(C)c1F 2282890053 XYRQOQIZGIWTAN-AWEZNQCLSA-N 471.510 6.277 50 10 JKGE COc1ccc([C@H](Br)c2ccc3sccc3c2)cc1I 2285009579 PKRXMZRVXJRXIK-MRXNPFEDSA-N 459.146 5.999 50 10 JKGE N#CC(=Cc1ccc(OCc2ccc(Br)cc2)cc1)C(=O)Nc1ccc2ccccc2c1 2294156103 OAVQNGVFIUXZOB-UHFFFAOYSA-N 483.365 6.727 50 10 JKGE Cc1cc([C@@H](Cl)c2cc3sc(Br)cc3s2)cc(C)c1Br 2295492452 JXRBKWUKBOYNKQ-OAHLLOKOSA-N 450.648 7.433 50 10 JKGE COC(=O)c1ccc(C=C(C#N)c2nc(-c3cc4cc(Br)ccc4oc3=O)cs2)cc1 2296763971 PKWJHFQJIYDYDD-UHFFFAOYSA-N 493.338 5.530 50 10 JKGE CCOC(=O)c1ccc(NC=C(C#N)c2nc(-c3cc4cc(Cl)ccc4oc3=O)cs2)cc1 2296798364 JAENGOSVXNKOLT-UHFFFAOYSA-N 477.929 5.723 50 10 JKGE Cc1c(C=C(C#N)c2ccc([N+](=O)[O-])cc2)c2ccccc2n1CCOc1ccc(Cl)cc1 2297499431 DKQZKKPWWMPUSW-UHFFFAOYSA-N 457.917 6.655 50 10 JKGE N#CC(=Cc1ccc(SCc2ccc(Cl)cc2)o1)C(=O)Nc1nc2ccccc2s1 2297500397 SOHLNCXIVWSUGN-UHFFFAOYSA-N 451.960 6.381 50 10 JKGE CC[C@](C)(C(F)F)[C@@H](Br)c1cc(Br)ccc1OCc1ccccc1 2299825849 PNYAXTUELGQCQF-HKUYNNGSSA-N 462.172 7.146 50 10 JKGE COc1cc(C=C(C#N)C(=O)Nc2ccccc2)cc(Br)c1OCc1ccccc1 2313518689 OQTWCBWGFZXTPO-UHFFFAOYSA-N 463.331 5.582 50 10 JKGE Cc1ccc([C@H](Br)c2ccc(OCc3ccccc3)cc2Br)cc1Cl 2314448205 GANLXJQJHOPLER-NRFANRHFSA-N 480.627 7.474 50 10 JKGE Cc1ccc(Br)cc1[C@H](Cl)c1cc(Br)ccc1OCc1ccccc1 2314449136 NLBMCQLXUBXCGP-NRFANRHFSA-N 480.627 7.427 50 10 JKGE Cc1ccccc1NC(=O)C(C#N)=Cc1ccc(N2N=C(c3ccccc3)C[C@H]2c2ccccc2)cc1 2314482323 HPGFCBUJMNKRFB-HKBQPEDESA-N 482.587 6.896 50 10 JKGE Brc1ccc(OCc2ccccc2)c([C@H](Br)[C@H]2C[C@]23CCCOC3)c1 2314491052 MHSBWQUSAYDRGT-GIVPXCGWSA-N 466.213 6.281 50 10 JKGE Cc1c([C@@H](Cl)c2cc(Br)ccc2OCc2ccccc2)nn(C)c1Br 2314491684 PEACTPHEDFREST-KRWDZBQOSA-N 484.619 6.161 50 10 JKGE CS(=O)(=O)C1CC([C@H](Br)c2cc(Br)ccc2OCc2ccccc2)C1 2314494095 HCRKWUYBUOELNL-KJXMEXGPSA-N 488.241 5.287 50 10 JKGE C=CCNC(=O)C(C#N)=C1S[C@H](Cc2ccc(C(C)C)cc2)C(=O)N1c1ccc(CC)cc1 2314593481 NNWTYPCQSWNPQJ-XMMPIXPASA-N 459.615 5.101 50 10 JKGE Fc1c(Br)cc(Cl)c([C@H](Br)C2C[C@@H]3C[C@H]3C2)c1Br 2315457403 BVPIZMYHQXVFAJ-ZJXQECPTSA-N 461.394 6.486 50 10 JKGE COc1cc2nc(C(C#N)=Cc3ccc(OC)c(OCc4ccc(C)cc4)c3)nc(O)c2cc1OC 2331042506 GCWBTMOMWSXDII-UHFFFAOYSA-N 483.524 5.313 50 10 JKGE N#CC(=C(O)c1ccc(Cl)c([N+](=O)[O-])c1)c1nc(-c2ccc(Cl)cc2Cl)cs1 2331254651 KYGKJUFIAKDXDO-UHFFFAOYSA-N 452.706 6.628 50 10 JKGE CCOc1ccc(C=CC(O)=C(C#N)c2nc(-c3ccc(Br)cc3)cs2)cc1OC 2331260475 MRIHJEFNQRVFCI-UHFFFAOYSA-N 483.387 6.486 50 10 JKGE CCOc1ccc(-c2csc(C(C#N)=C(O)c3ccc4c(c3)C(=O)N(CC(C)C)C4=O)n2)cc1 2331305392 XVMOCUNEFKMAQX-UHFFFAOYSA-N 473.554 5.411 50 10 JKGE COc1c(Cl)cc(-c2csc(C(C#N)=C(O)C=Cc3cccc([N+](=O)[O-])c3)n2)cc1Cl 2331396471 CVOGDLAJWOIIQW-UHFFFAOYSA-N 474.325 6.540 50 10 JKGE CCCCCCOc1ccc(C=C(C#N)c2nc(-c3ccc(Cl)cc3Cl)cs2)cc1OC 2331421862 XXPAZGCJUCYKEA-UHFFFAOYSA-N 487.452 8.149 50 10 JKGE CCCCCOc1ccc(C=C(C#N)c2nc(-c3cc(C(C)C)c(OC)cc3C)cs2)cc1 2331463402 DAVFCMVPTYLFJF-UHFFFAOYSA-N 460.643 7.884 50 10 JKGE Cc1c(Br)ccc([C@H](Br)[C@]23C[C@H](CO2)C3(C)C)c1Br 2334832322 WENGKUCJMXFAMQ-DVJZZOLTSA-N 453.012 5.771 50 10 JKGE COc1ccc([C@@H](Cl)c2cc(Br)ccc2OCc2ccccc2)cc1Cl 2336039307 VTJFWBVGBFPWLJ-OAQYLSRUSA-N 452.175 7.018 50 10 JKGE FC1(F)[C@@H]([C@H](Br)c2cc(Br)ccc2OCc2ccccc2)C12CCCC2 2336053108 GZMZGBRANXGYQY-MOPGFXCFSA-N 486.194 7.290 50 10 JKGE Brc1ccc(OCc2ccccc2)c([C@@H](Br)c2ccc3c(c2)CCC3)c1 2336075181 MWSAJXKPGLQVFG-QHCPKHFHSA-N 472.220 7.001 50 10 JKGE Fc1c(Br)cc(Cl)c([C@H](Br)[C@@]23CC[C@@H](CO2)C3)c1Br 2337107735 WTIPPIYPKHQSLA-GBRJYTSESA-N 477.393 6.009 50 10 JKGE CO[C@@H]1CC[C@@H]1C[C@@H](Br)c1c(C)cc(Br)c(F)c1Br 2339655732 GVICORKYMJRDTO-FXPVBKGRSA-N 458.991 5.910 50 10 JKGE COc1c(Cl)cc(CO[C@@H](CCl)[C@@H](I)CCl)cc1Cl 2340057963 MEDZTCOHSOYMAR-QWRGUYRKSA-N 457.950 5.168 50 10 JKGE C[C@H](Br)C[C@@H]1CCCCN1Cc1ccc(Cl)cc1I 2341059569 MFIMETLMYYKZDY-FZMZJTMJSA-N 456.593 5.473 50 10 JKGE CC(C)(C)[C@@H]1CC[C@H]1[C@H](Br)Cc1cc(Br)cc(Br)c1 2343130900 WTIJCIYTMBOPRI-RBSFLKMASA-N 453.056 6.590 50 10 JKGE Cc1scc([C@@H](Br)c2scc(C(F)(F)F)c2Br)c1Br 2343556421 IZWSLHDYONTJSX-MRVPVSSYSA-N 499.009 7.146 50 10 JKGE Brc1ccc(OCc2ccccc2)c([C@H](Br)[C@H]2CCc3ccccc3C2)c1 2361206586 LNDKMRMGTJHXSV-GBXCKJPGSA-N 486.247 7.269 50 10 JKGE C[C@H](c1ccccc1)[C@@H](Br)c1c(Cl)cc(Br)c(F)c1Br 2362236607 PMEMEJIBZUXSTQ-AMIZOPFISA-N 485.416 7.244 50 10 JKGE Fc1c(Br)cc(Cl)c([C@H](Br)C2(CC3CC3)CCC2)c1Br 2362241630 YUKPCZHSIFFUPW-AWEZNQCLSA-N 489.448 7.411 50 10 JKGE CC(C)(C)[C@@H]1CC[C@@H](Br)[C@@H](Cc2ccc(Cl)c(I)c2)C1 2362435233 CZUZOYUBKMGLOE-BFHYXJOUSA-N 469.632 6.713 50 10 JKGE COc1cc([C@@H](Br)c2ccccc2I)c(OC)cc1Cl 2363540894 CBVNYLOBQGRUPU-HNNXBMFYSA-N 467.528 5.446 50 10 JKGE COc1c(Br)cc(C)cc1[C@H](Cl)c1c(Br)c(Br)nn1C 2364069486 JBOPNOUFULGOHM-JTQLQIEISA-N 487.417 5.353 50 10 JKGE Clc1cc(I)c([C@H](Br)[C@@H]2[C@H]3CCc4ccccc4[C@H]32)s1 2364122114 MDCSOYCCVOIXTG-CJYSPXJISA-N 479.608 6.418 50 10 JKGE Cc1cc(Br)c(F)c(Br)c1[C@H](Br)C1CCCCCCC1 2365179242 NMFCJCNCKNPFCC-CQSZACIVSA-N 471.046 7.456 50 10 JKGE Cc1cc(Br)c(F)c(Br)c1[C@H](Br)CC(C1CC1)C1CC1 2365217029 AFABXKUXCBEPKI-GFCCVEGCSA-N 469.030 6.921 50 10 JKGE Fc1cc(CBr)c(OCc2c(Br)cccc2Br)cc1Cl 2366226685 ICLFAFJZRMFZFW-UHFFFAOYSA-N 487.388 6.478 50 10 JKGE COc1ccc(/C=C(\C#N)S(=O)(=O)c2ccccc2)cc1COc1ccc(F)c(Cl)c1 2852832 ALRGDWIUGALKOF-UDWIEESQSA-N 457.910 5.405 50 10 JKGE CC(C)(C)c1ccc(C(=O)Nc2ccc(C(=O)NNC(=O)c3cc(Cl)cc(Cl)c3)cc2)cc1 10384583 XDGXUOLJGZNWPR-UHFFFAOYSA-N 484.383 5.618 50 10 JKGE COc1ccc(/C(C#N)=C\c2c(-c3ccc(Cl)cc3)nc3sc4c(n23)CCCC4)cc1OC 34380388 OIUVTSIGGCNMMF-AQTBWJFISA-N 476.001 6.676 50 10 JKGE CCOc1ccc(C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@@H]3c2ccc(Cl)cc2Cl)cc1 38655297 IJPGIQKBZQBQBN-HSZRJFAPSA-N 481.335 5.829 50 10 JKGE COC(=O)c1ccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4ccc(C(C)(C)C)cc4)ccc32)cc1 38683211 BKVSMQQLXZQVRB-VWLOTQADSA-N 482.536 5.208 50 10 JKGE Cc1cc(C)c2c(C)c(C(=O)Oc3ccc4c(c3)OC(N)=C(C#N)[C@@H]4c3ccc(C)o3)oc2c1 38688693 PXGIHJRVLQXLNN-XMMPIXPASA-N 454.482 5.697 50 10 JKGE N#C/C(=C\c1ccc2noc(-c3ccc(Cl)cc3)c2c1)C(=O)Nc1ccc(Cl)c(Cl)c1 39884661 UJVDIEOPOTUJQE-OQLLNIDSSA-N 468.727 7.001 50 10 JKGE N#C/C(=C\c1ccc(-c2cc(Cl)cc(Cl)c2)o1)C(=O)Nc1cc(C(F)(F)F)ccc1Cl 39884852 GJANSYQKELJNAK-KPKJPENVSA-N 485.676 7.471 50 10 JKGE COc1cc(/C=C(\C#N)c2ccccc2)ccc1OC(=O)COc1ccc(Cl)cc1Cl 40840733 ADKULXLXIFYRRK-WOJGMQOQSA-N 454.309 6.051 50 10 JKGE BrCCCCCCn1c2ccc(Br)cc2c2cc(Br)ccc21 59833126 INFBPZXUWGETLO-UHFFFAOYSA-N 488.061 7.275 50 10 JKGE CCN(CC)c1ccc(/C=N/NC(=O)c2cccc(Cl)c2)c(OCc2c(F)cccc2Cl)c1 96095855 JRGUQALODRFQFL-WKULSOCRSA-N 488.390 6.322 50 10 JKGE COc1cccc(/C=C(\C#N)C(=O)Nc2ccc(C(C)=O)cc2)c1OC/C=C\c1ccccc1 96438609 BRQAWQKGJREOJZ-UYCOGKMZSA-N 452.510 5.536 50 10 JKGE N#C/C(=C/c1ccc(-c2ccc([N+](=O)[O-])cc2Br)o1)C(=O)Nc1nc2ccccc2s1 102443585 QMEHRRDDPOYOFK-XFXZXTDPSA-N 495.314 5.773 50 10 JKGE Cl[C@@H](c1csc(I)c1)c1cc2c(cc1Br)OCCO2 124397115 TUSMSMBZOOIOCF-ZDUSSCGKSA-N 471.541 5.215 50 10 JKGE Brc1cc([C@@H](Br)c2cccc3ccccc23)sc1Br 128235763 NYSAKPNKGKMRQF-AWEZNQCLSA-N 461.016 6.911 50 10 JKGE Fc1cc(Br)ccc1CC(CBr)(CBr)C1CCCC1 128719412 BLJOUHZPOTYAGI-UHFFFAOYSA-N 457.019 6.097 50 10 JKGE COc1cc([C@@H](Br)c2cc(Br)ccc2Br)ccc1F 134211457 HKGMDUYFWNTCFT-CQSZACIVSA-N 452.943 5.844 50 10 JKGE CCCCN1C(=O)C(C#N)=C(C)/C(=C/c2ccc(OCc3ccccc3F)c(OCC)c2)C1=O 214231335 MXSSGRCLGGKDDL-STZFKDTASA-N 462.521 5.196 50 10 JKGE CC[C@@H](C)N1C(=O)C(C#N)=C(C)/C(=C/c2cn(-c3ccccc3)nc2-c2ccc(OC)c(C)c2)C1=O 214257050 VBQMWBDSWBETSA-YPFLROGLSA-N 480.568 5.247 50 10 JKGE N#C/C(=C/Nc1c(Cl)cccc1Cl)C(=O)N1CCN(C(c2ccccc2)c2ccccc2)CC1 216506167 KHRJPVHQJNVUOM-QOCHGBHMSA-N 491.422 5.747 50 10 JKGE COc1ccc([C@@H](Br)c2ccc(F)cc2Br)c(OC)c1Br 224853472 XOZPJALKAIRSPX-ZDUSSCGKSA-N 482.969 5.852 50 10 JKGE CCc1ccc([C@@H](Br)c2ccc(I)c(Cl)c2)cc1CC 232344996 KDSVMDMNFRMWAC-QGZVFWFLSA-N 463.584 6.554 50 10 JKGE CC[C@@H](C)c1ccc([C@H](Cl)c2cc(I)ccc2Br)cc1 233868759 DBVNZRZJIBNWHL-DIFFPNOSSA-N 463.584 6.895 50 10 JKGE COc1cc(F)c(Br)cc1[C@H](Br)c1ccc(Cl)c(Br)c1 234914250 FPSHSNXABTYZDT-CQSZACIVSA-N 487.388 6.497 50 10 JKGE COc1cc(Br)c(Oc2ccc(Br)cc2CCl)cc1Br 234916592 QAUMYDQBWUDSRP-UHFFFAOYSA-N 485.397 6.514 50 10 JKGE Clc1cc(Br)cc([C@@H](Br)c2csc3c(Br)cccc23)c1 236057529 KGRXAZDAVYARIQ-CQSZACIVSA-N 495.461 7.564 50 10 JKGE O=C(NN=Cc1cn(Cc2cccc([N+](=O)[O-])c2)c2ccccc12)c1cccc(C(F)(F)F)c1 254505065 PUBKWPYUMGOIRD-UHFFFAOYSA-N 466.419 5.381 50 10 JKGE BrCc1cc2ccsc2c(I)c1I 306823837 UROZQPCPVYCRPW-UHFFFAOYSA-N 478.918 5.005 50 10 JKGE O=C(OCc1ccccc1)N1C[C@@H](c2ccc(Br)s2)[C@@H](CBr)C1 382711402 HIZJASRONYKAFQ-UONOGXRCSA-N 459.203 5.258 50 10 JKGE Fc1cc(Br)c([C@H](Br)c2ccc(Br)cc2Cl)c(F)c1F 398716831 GYNGYTYQMSDUAE-LLVKDONJSA-N 493.342 6.767 50 10 JKGE C[C@@H](CC(F)(F)F)CC(CBr)(CBr)c1ccc(Br)cc1 402875060 BVCIMOZWMCITDT-SNVBAGLBSA-N 480.988 6.455 50 10 JKGE Fc1ccc(OCc2cc(Cl)ccc2I)c(CBr)c1 405291356 HPENRVXPHGDRHM-UHFFFAOYSA-N 455.492 5.558 50 10 JKGE CC(C)(C)OC(=O)Nc1ccc([C@@H]2CCc3ccccc3N2CCO[Si](C)(C)C(C)(C)C)cc1 616592298 DXVATIBEWSAIQH-VWLOTQADSA-N 482.741 7.549 50 10 JKGE CC(C)(C)[Si](C)(C)OCCN1CCO[C@H](c2ccccc2CO[Si](C)(C)C(C)(C)C)CC1 616593636 KQMKCGRMYJQIPG-DEOSSOPVSA-N 479.854 6.994 50 10 JKGE CC(C)(C)[Si](C)(C)OCCc1ccc([C@@H]2COCCCN2S(=O)(=O)c2ccccc2)cc1 616649799 ZETAHAJKZPIZDP-DEOSSOPVSA-N 475.727 5.403 50 10 JKGE CC(C)(C)OC(=O)NCCN1CCOC[C@H](c2ccc(CO[Si](C)(C)C(C)(C)C)cc2)C1 616663709 OLCAKPBHKBHRRV-JOCHJYFZSA-N 464.723 5.149 50 10 JKGE COC1CCC(C(CBr)(CBr)c2ccc(Br)cc2)CC1 686329548 LMGOJGBEKJZWSS-UHFFFAOYSA-N 469.055 5.682 50 10 JKGE C[C@@H](CC(F)F)CC(CBr)(CBr)c1ccccc1Br 687837480 XXJHEQVRZAWKEP-JTQLQIEISA-N 462.998 6.158 50 10 JKGE COCc1cc(Br)c([C@H](Br)c2cscc2Br)s1 688092340 WOUKEGZYKMEGSH-SNVBAGLBSA-N 461.038 5.965 50 10 JKGE Cc1ccccc1C(=O)NN=Cc1ccc(Sc2nc3ccc([N+](=O)[O-])cc3s2)c([N+](=O)[O-])c1 1084243897 MFTLNDMHVKFMIV-UHFFFAOYSA-N 493.526 5.336 50 10 JKGE CC(=NNC(=O)c1ccccc1[N+](=O)[O-])c1ccc(OCc2ccc(Br)cc2)cc1 1084341142 VWVGKNZVJZTQTO-UHFFFAOYSA-N 468.307 5.090 50 10 JKGE COc1cc(C=NNC(=O)CC[C@@H](O)c2ccccc2)cc(Cl)c1OCc1cccc(C)c1 1084627540 LFYIPIRXANEYAE-HSZRJFAPSA-N 466.965 5.200 50 10 JKGE Cc1ccc(-n2c(C)c(Br)c(C=NNC(=O)CSCc3ccccc3C)c2C)cc1 1084631781 FEZWLUWYDDVMFM-UHFFFAOYSA-N 484.463 5.857 50 10 JKGE Cc1ccc(-n2c(C)cc(C=NNC(=O)C(=O)Nc3ccc(Cl)c(C(F)(F)F)c3)c2C)cc1 1084641909 AIPDMPOBCZRWLK-UHFFFAOYSA-N 476.886 5.164 50 10 JKGE Cc1c(C(=O)Nc2ccc(Cl)c(Cl)c2)oc2c1C(=NNC(=O)c1cccc(Cl)c1)CCC2 1772745793 HMDJGJNREMGRQB-UHFFFAOYSA-N 490.774 6.271 50 10 JKGE N#CC1=C(N)Oc2c(c(C(F)(F)F)nn2Cc2c(F)cccc2Cl)[C@@H]1c1cc(Cl)ccc1O 1865689177 LVJCMSPUGFGGTI-MRXNPFEDSA-N 499.251 5.320 50 10 JKGE CCCn1nc(CC)c2c1OC(N)=C(C#N)[C@H]2c1ccc(OCCCc2ccccc2)c(OC)c1 1865696096 CDOWXVRJPSHFTI-RUZDIDTESA-N 472.589 5.094 50 10 JKGE N#CC1=C(N)Oc2c(c(-c3ccccc3)nn2-c2cccc3ccccc23)[C@@H]1c1ccc2c(c1)OCCO2 1865698656 ZPZNQSAFYHPOBC-HHHXNRCGSA-N 498.542 5.682 50 10 JKGE CCc1nn(-c2ccc(Cl)c(Cl)c2)c2c1[C@H](c1cc(Cl)c(O)c(OC)c1)C(C#N)=C(N)O2 1865706842 GYFASKKKTSCIFT-GOSISDBHSA-N 491.762 5.327 50 10 JKGE N#CC1=C(N)Oc2c(c(-c3ccccc3)nn2Cc2ccc(Cl)cc2)[C@H]1c1ccc(F)cc1 1865708217 QSRUMOIYTKIYAM-QFIPXVFZSA-N 456.908 5.609 50 10 JKGE CCc1ccc([C@@H]2C(C#N)=C(N)Oc3c2c(C(F)(F)F)nn3-c2ccc(Br)cc2)cc1 1865709321 ULLQGICTLSKBNE-QGZVFWFLSA-N 489.295 5.434 50 10 JKGE Cc1cc(C(=O)N[C@H](C(=O)Nc2ccc(SC#N)cc2)c2ccccc2)nn1-c1ccccc1F 1867172422 QOQMTUBCNIGRMR-DEOSSOPVSA-N 485.544 5.003 50 10 JKGE CCOc1cc(/C=C(\C#N)c2ccc(C(=O)OC)o2)ccc1OCc1c(Cl)cccc1Cl 1872728617 LODXQCNEHSTLKB-LFIBNONCSA-N 472.324 6.415 50 10 JKGE CCOc1ccccc1OC/C(O)=C(\C#N)c1nc(-c2cc(Cl)c(OC)cc2OC)cs1 1872756486 MEDKZVXOZBEEQL-SDXDJHTJSA-N 472.950 5.751 50 10 JKGE CCOC(=O)Oc1ccc(/C(O)=C(\C#N)c2nc(-c3cc(Cl)c(OC)cc3OC)cs2)cc1 1872756630 SXFMRSBGSXYCHW-PGMHBOJBSA-N 486.933 5.966 50 10 JKGE COc1cc(C)c(-c2csc(/C(C#N)=C/c3cc(Br)cc(OC)c3O)n2)cc1C(C)C 1872793108 IQDGBLLYKYJBRK-FRKPEAEDSA-N 499.430 6.791 50 10 JKGE CC(C)(C)OC(=O)N[C@@H](CBr)Cc1cc(Br)c(Br)s1 1880762498 WNUODPIIPCWDNZ-SSDOTTSWSA-N 478.044 5.104 50 10 JKGE COC1(C(F)(F)[C@@H](Br)c2cc(Br)c(C)cc2Br)CCC1 1912510078 BLULMSOAQVVDCT-LBPRGKRZSA-N 476.981 6.160 50 10 JKGE O=C(c1ccc(Br)cc1C(F)(F)F)N(Cc1ccccc1)C1(CCl)CCC1 1915749130 FPXWTHCVZDRCBT-UHFFFAOYSA-N 460.721 6.272 50 10 JKGE CN(C[C@@H](Cl)COCc1ccccc1)C(=O)c1cc(Br)ccc1Br 1916352915 CLMFMHCIRQEPKD-OAHLLOKOSA-N 475.608 5.108 50 10 JKGE FC1(F)CC12CC([C@@H](Br)c1sc(Br)cc1Br)C2 1922906431 JFAKMDZCLHTYBS-FDRLMODASA-N 450.968 6.145 50 10 JKGE Cn1c([C@@H](Br)c2c(Br)sc(Br)c2Cl)cnc1Cl 1923040215 SZUSCZNBTLAXEC-RXMQYKEDSA-N 483.838 5.798 50 10 JKGE Cc1cccc([C@H](Br)c2c(Br)sc(Br)c2Cl)c1 1923073091 URMCZVUDZWGHMR-VIFPVBQESA-N 459.428 6.719 50 10 JKGE FC(F)(F)C[C@@H](Br)c1c(Br)sc(Br)c1Br 1924575670 DFNYOPRCPOVWDL-UWTATZPHSA-N 495.778 6.424 50 10 JKGE Clc1sc(Br)c(Cl)c1[C@@H](Br)[C@@H]1CCc2ccccc2C1 1925600629 SIAKMVONRUCZHN-PWSUYJOCSA-N 455.042 7.059 50 10 JKGE C[C@@]1(CI)CC[C@H](c2c(Br)cccc2Br)O1 1938361177 HGBYSBAZSHIYRQ-PWSUYJOCSA-N 459.947 5.257 50 10 JKGE CC(C)(C[C@H](Br)c1cc(Br)sc1Br)C(F)(F)F 1945244469 NATKZUYTJDYIPL-LURJTMIESA-N 458.963 6.688 50 10 JKGE C[C@H]1C[C@@H](N(C)c2ccc(CBr)cc2Br)CN1Cc1ccccc1 1949205353 RSEICOLSWNSYQU-MAUKXSAKSA-N 452.234 5.443 50 10 JKGE Cc1cc(Br)c(CBr)c(N(Cc2ccccc2)C2CCCCC2)c1 2005453342 WMVOZOMJGHXRKW-UHFFFAOYSA-N 451.246 6.992 50 10 JKGE Cc1csc([C@H](Cl)c2ccc(Br)cc2Br)c1Br 2024280276 XFXSPKVVXWFSJI-LLVKDONJSA-N 459.428 6.672 50 10 JKGE Cn1nc([C@@H](Br)c2ccc(Br)cc2Br)cc1Br 2024281336 FSQANFNDOLNOJB-NSHDSACASA-N 487.815 5.192 50 10 JKGE CCN(c1ccc(CBr)c(Br)c1)C1CCN(Cc2ccccc2)CC1 2027092942 ZIPVPMLTDQUJBL-UHFFFAOYSA-N 466.261 5.835 50 10 JKGE Cc1cc(F)c([C@@H](Br)c2csc(Br)c2Br)cc1C 2032959157 VPGKRGPYHXBVGJ-LLVKDONJSA-N 457.000 6.513 50 10 JKGE COCc1cc(Br)c([C@@H](Br)c2cc(C)sc2Br)s1 2039500678 LYEYBCVNJDYOKE-JTQLQIEISA-N 475.065 6.274 50 10 JKGE CCc1cc(Br)c([C@H](Br)c2nn(C)c(Cl)c2Br)s1 2048155805 MHSIOXMLVZILIE-SSDOTTSWSA-N 477.447 5.707 50 10 JKGE CC(C)(C)OC(=O)N1CCC[C@@](CBr)(OCc2cc(Cl)cc(Cl)c2)C1 2077243278 WDHCDBCBLZIHOC-SFHVURJKSA-N 453.204 5.675 50 10 JKGE FC(F)(F)C1([C@@H](Br)c2ccc(Br)cc2Br)CCC1 2083316908 AREYYEMLHURCNA-JTQLQIEISA-N 450.918 6.380 50 10 JKGE CC(C)CN1C[C@@H](Br)[C@H](Cc2cccc(Br)c2Br)C1 2100720796 FKIUUEQXLJKVLO-TZMCWYRMSA-N 454.044 5.105 50 10 JKGE Cc1nc([C@H](Br)c2c(C)cc(C)c(Br)c2C)c(Br)s1 2113185358 PRHFTMQFOMUHCN-GFCCVEGCSA-N 468.052 6.386 50 10 JKGE Fc1c(C[C@H](Br)c2cccc(Br)c2)ccc(Cl)c1Br 2113491713 RYEJMHLPQZREFT-NSHDSACASA-N 471.389 6.683 50 10 JKGE C[C@H](N(Cc1ccccc1)S(=O)(=O)c1ccc(CBr)cc1Cl)C(C)(C)C 2123211847 ZGKISJRSUGLXEO-HNNXBMFYSA-N 458.849 5.860 50 10 JKGE Cc1cc(Br)c(C)c([C@@H](Br)CC[C@@H]2CCCO2)c1Br 2136379792 OCZLMEGXQHHHSS-RYUDHWBXSA-N 455.028 6.224 50 10 JKGE Cc1c(F)cccc1[C@@H](Br)c1ccc(Br)c(C)c1Br 2138853254 VRHWOKKRTSCUOK-OAHLLOKOSA-N 450.971 6.452 50 10 JKGE Cc1cc(Br)c(C)c([C@H](Br)[C@]23C[C@](C)(CO2)C3)c1Br 2140282870 KMVFONSYKPAVNZ-SOUVJXGZSA-N 453.012 5.834 50 10 JKGE Br[C@H](c1ccc(-c2cccs2)s1)c1ccccc1I 2140977363 MUXACSSOEOXFHA-HNNXBMFYSA-N 461.187 6.566 50 10 JKGE Clc1cc(CN2CC3(CCC3)C[C@H]2CBr)ccc1I 2142949261 HVSQBKWRJCQLQR-LBPRGKRZSA-N 454.577 5.084 50 10 JKGE Brc1cccc(Br)c1[C@@H](Br)c1ccc2c(c1)OCCO2 2150493479 LNKGUEZZJRZOMU-HNNXBMFYSA-N 462.963 5.467 50 10 JKGE ClCCCCCc1cn(-c2cc(Br)c(Br)c(Br)c2)nn1 2151779163 DYOGRWXXFBKMFT-UHFFFAOYSA-N 486.433 5.506 50 10 JKGE C[C@H]1Cc2cc([C@@H](Br)c3cc(Cl)c(Cl)s3)cc(Br)c2O1 2156056295 XBBODZAWCMYMBZ-PWCHPLFNSA-N 457.014 6.625 50 10 JKGE COc1ccc(CC[C@H](Br)c2ccccc2Br)cc1Br 2169747700 IVWKGMJADGYLCN-AWEZNQCLSA-N 463.007 6.289 50 10 JKGE CCCN(c1cc(Br)cc(F)c1CCl)C1CCN(Cc2ccccc2)CC1 2170693015 HEUUBPZMMBCIIF-UHFFFAOYSA-N 453.827 6.208 50 10 JKGE Brc1ccc([C@H](Br)[C@H]2CCc3ccccc3C2)c(Br)c1 2203685156 JCUPFWQNJMHMJR-SUMWQHHRSA-N 459.019 6.453 50 10 JKGE CCC[C@@H]1CN(C(=O)c2c(Br)cccc2Br)C[C@@H]1CBr 2205683356 NJLDUGJHAKUGSN-MNOVXSKESA-N 468.027 5.095 50 10 JKGE Cc1sc(Br)c(C)c1[C@H](Br)Cc1ccc(Br)cc1 2218800798 NNKWJANCEUPBFM-GFCCVEGCSA-N 453.037 6.569 50 10 JKGE COc1ccc(Br)c(CBr)c1OCc1ccc(Br)o1 2227745552 YKBCNKZMVALADA-UHFFFAOYSA-N 454.940 5.287 50 10 JKGE FC(F)(F)C1([C@H](Br)c2c(Br)cc(Cl)c(Cl)c2Cl)CCC1 2232518904 HRGNUCDQXJETEE-SNVBAGLBSA-N 475.357 7.578 50 10 JKGE Cc1sc([C@H](Cl)c2ccc(Cl)c(I)c2)cc1Br 2248216172 ZXFRNFZHMOXSQP-GFCCVEGCSA-N 461.977 6.405 50 10 JKGE Fc1cccc(I)c1[C@@H](Cl)Cc1ccc(Br)cc1Cl 2267646796 BQZLEHSJDFPSQW-NSHDSACASA-N 473.938 6.369 50 10 JKGE Fc1cc(Br)c(F)c(Br)c1[C@H](Br)[C@@H]1CC2(CC2)CO1 2272730092 BDHURRHKBQVWQG-WCBMZHEXSA-N 460.938 5.495 50 10 JKGE COc1cc(OC)c([C@@H](Br)c2nscc2Br)cc1Br 2278035988 YZQYMOZQUZASCJ-LLVKDONJSA-N 471.996 5.170 50 10 JKGE Clc1ccc([C@@H](Cl)c2cc3sc(Br)cc3s2)c(Br)c1 2278095325 ALUNUCPIMYLCPF-CYBMUJFWSA-N 457.039 7.469 50 10 JKGE Cn1nc([C@H](Cl)c2c(F)cc(Br)c(F)c2Br)c(Cl)c1Cl 2288348892 JURAXUBBNRDQKN-SSDOTTSWSA-N 469.338 5.858 50 10 JKGE Cc1ccc(NC(=O)C(C#N)=C2S[C@@H](Cc3ccc(Cl)cc3)C(=O)N2c2ccc(F)cc2)cc1 2293038929 JCBPSGINRFXOJK-QHCPKHFHSA-N 491.975 5.853 50 10 JKGE COc1ccc2nc(C(C#N)=Cc3ccc(-c4ccc(Br)c(Cl)c4)o3)[nH]c2c1 2294284762 SDHBOPDMKZERSQ-UHFFFAOYSA-N 454.711 6.312 50 10 JKGE COc1cccc(C[C@H]2SC(=C(C#N)C(=O)Nc3ccccc3)N(c3ccccc3C)C2=O)c1 2296507252 ZYAUVZHLDAJQPT-XMMPIXPASA-N 469.566 5.069 50 10 JKGE CCOc1ccc(-c2nn(-c3ccccc3)cc2C=C(C#N)C(=O)NC2CCCCC2)c(C)c1 2296705135 VHCSEGQSAHTZNZ-UHFFFAOYSA-N 454.574 5.602 50 10 JKGE CCCSc1ccc(-c2nn(-c3ccccc3)cc2C=C(C#N)c2nc3ccccc3[nH]2)cc1 2296731413 VNLDIWSKDGBGLG-UHFFFAOYSA-N 461.594 6.982 50 10 JKGE CCOC(=O)C(C#N)=C1S[C@@H](Cc2ccccc2Cl)C(=O)N1c1ccc(Br)cc1 2296834954 GDIQDTMPRZILET-SFHVURJKSA-N 491.794 5.092 50 10 JKGE Cc1cc(C)c(NC(SCc2cccc(Cl)c2)=C(C#N)S(=O)(=O)c2ccccc2)c(C)c1 2297350178 SVNSCTRYBKTONT-UHFFFAOYSA-N 483.058 6.777 50 10 JKGE N#CC(=Cc1cc(Cl)cc(Cl)c1OCc1ccccc1)c1nn(-c2ccccc2)c(N)c1C#N 2297369208 QDTCJJJVGPBFTF-UHFFFAOYSA-N 486.362 6.276 50 10 JKGE CCCOc1c(Br)cc(C=C(C#N)c2nc3cc(C)c(C)cc3[nH]2)cc1OCC 2297379774 DDEMEFPYZBUKEB-UHFFFAOYSA-N 454.368 6.194 50 10 JKGE CC(C)([C@H](Br)c1ccc(OCc2ccccc2)cc1Br)C(F)(F)F 2299536221 XOJNXHVLLRUUNY-MRXNPFEDSA-N 466.135 7.053 50 10 JKGE C=CCOc1c(Br)cc(C=C(C#N)C(=O)Nc2ccc(C)cc2)cc1Br 2313511150 QKZHAQNVUASNDK-UHFFFAOYSA-N 476.168 5.631 50 10 JKGE N#CC(=Cc1ccc(OCc2ccc(Cl)c(Cl)c2)cc1)C(=O)Nc1cc(Cl)ccc1Cl 2313631776 VKXGJCGVHJXUCZ-UHFFFAOYSA-N 492.189 7.425 50 10 JKGE C[C@]12CC[C@@H]3[C@H](CC=C4C[C@H](OC(=O)C=Cc5ccccc5)CC[C@@]43C)[C@@H]1CCC2=NNC(N)=O 2313652937 NMEUWUBEWUDIDC-JICFLGHHSA-N 475.633 5.599 50 10 JKGE Fc1cccc(Cl)c1[C@@H](Br)c1ccc(OCc2ccccc2)cc1Br 2314439867 KTJCNIUBTQOPRG-FQEVSTJZSA-N 484.590 7.305 50 10 JKGE Brc1cccc(Br)c1CO[C@@H]1CCCCC[C@H]1I 2318172590 LGCPPWQZFMJQQI-ZIAGYGMSSA-N 488.001 5.865 50 10 JKGE Cc1ccc2nc(-c3ccc(NC=C(C#N)C(=O)Nc4cccc5c(O)cccc45)cc3)sc2c1 2324918156 KWCKHHBUKRRAKH-UHFFFAOYSA-N 476.561 6.589 50 10 JKGE COc1ccc(-c2csc(C(C#N)=C(O)C=Cc3cc(OC)c(OC)c(OC)c3)n2)cc1OC 2331242498 ITEXYEGKJQMBKI-UHFFFAOYSA-N 480.542 5.359 50 10 JKGE CN(C)c1ccc(C(O)=C(C#N)c2nc(-c3ccc(Cl)cc3Cl)cs2)cc1[N+](=O)[O-] 2331254649 KOCZBHOBNKNRFA-UHFFFAOYSA-N 461.330 6.041 50 10 JKGE N#CC(=C(O)CCCOc1ccccc1Cl)c1nc(-c2ccc(Cl)c(Cl)c2)cs1 2331311677 MPHASDNBOOTPIG-UHFFFAOYSA-N 465.789 7.422 50 10 JKGE CC(C)(C)N1C(=O)c2ccc(C(O)=C(C#N)c3nc(-c4ccc(F)c(F)c4)cs3)cc2C1=O 2331351534 CMLOFHQJQIFJII-UHFFFAOYSA-N 465.481 5.433 50 10 JKGE CCOc1ccc(-c2csc(C(C#N)=C(O)COc3ccccc3OC)n2)c(OCC)c1 2331388986 CTCCQMAFVULXFE-UHFFFAOYSA-N 452.532 5.488 50 10 JKGE CCCCOc1c(Br)cc(C=C(C#N)c2nc(-c3ccc(C)cc3)cs2)cc1OC 2331444037 DJFXZNPMRGGCOU-UHFFFAOYSA-N 483.431 7.133 50 10 JKGE Cn1ncc2cc([C@H](Br)c3cc(Br)ccc3OCc3ccccc3)sc21 2336038627 PKROARLWOXJWNK-LJQANCHMSA-N 492.236 6.461 50 10 JKGE CS(=O)(=O)c1sccc1[C@@H](Cl)c1cc(Br)ccc1OCc1ccccc1 2336073532 WVPRMURFSMGCFV-GOSISDBHSA-N 471.825 5.821 50 10 JKGE Fc1c(Br)cc(Cl)c([C@@H](Br)[C@@H]2CCCC23CC3)c1Br 2337082750 PUYBYLZEIAXPBY-CPCISQLKSA-N 475.421 7.020 50 10 JKGE CC1([C@@H](Br)c2c(Cl)cc(Br)c(F)c2Br)CCOCC1 2337085470 YPYTVRKMGPGPAR-LBPRGKRZSA-N 479.409 6.257 50 10 JKGE Cc1cc(Br)c(F)c(Br)c1[C@@H](Br)C[C@@H](C)C(F)(F)F 2339651230 NOVHUYYMFFEYQI-RQJHMYQMSA-N 470.924 6.684 50 10 JKGE Cl[C@@H]1CCCC[C@@H]1CCNCc1ccc(I)c(Br)c1 2349836182 LVZNTBYXYAWRDY-TZMCWYRMSA-N 456.593 5.331 50 10 JKGE Cc1cc(Br)c(C(C)C)cc1[C@H](Br)c1cc(Br)cs1 2352801422 GERDVLYHBKPBKH-HNNXBMFYSA-N 467.064 7.189 50 10 JKGE C[C@H](CBr)N(Cc1ccccc1)Cc1cc(C(F)(F)F)ccc1C(F)(F)F 2362136847 LUKAOLHGILXLJX-CYBMUJFWSA-N 454.252 6.510 50 10 JKGE Fc1c(Br)cc(Cl)c([C@@H](Br)[C@@H]2C[C@H]2C2CCCC2)c1Br 2362233107 WNFWSABRSDIWFG-RWEMILLDSA-N 489.448 7.266 50 10 JKGE Cc1cc(Br)c(F)c(Br)c1[C@H](Br)[C@H]1C[C@@H]2CCC[C@@H]2C1 2365193052 FZVYAYHRIXOSNV-FBKDDSFISA-N 469.030 6.921 50 10 JKGE O=C(CCC(=O)Nc1ccccc1Cl)NNC(=O)N1c2ccccc2Sc2ccccc21 13988878 XJYBGHFADUEMHO-UHFFFAOYSA-N 466.950 5.102 50 10 JKGE Cc1ccc(OCCOc2ccc(Br)cc2/C=C(/C#N)c2ccc([N+](=O)[O-])cc2)cc1 16309036 ZYRVDMFADGQGRA-ZHZULCJRSA-N 479.330 6.188 50 10 JKGE O=C(CCCCC(=O)N/N=C/c1ccccc1OCc1ccccc1Cl)NCc1ccccc1 20073456 LOWKYFBQFMZWFO-NDZAJKAJSA-N 477.992 5.246 50 10 JKGE N#C/C(=C/c1ccc(N2N=C(c3ccccc3)C[C@@H]2c2ccccc2)cc1)C(=O)Nc1ccc(F)cc1 29492358 UFZGDMYOMADBJD-IAULFNNHSA-N 486.550 6.727 50 10 JKGE O=C(CSc1nc2ccccc2o1)N/N=C\c1ccccc1OCc1ccc(Cl)cc1 32519947 DKHMGQZZKJAZQK-MXAYSNPKSA-N 451.935 5.303 50 10 JKGE COc1ccc(/C=C(/C#N)C(=O)c2c(-c3ccccc3)n(C)c3ccccc23)cc1Br 33479914 ZTGBFBNTMUYHIK-RGEXLXHISA-N 471.354 6.406 50 10 JKGE N#C/C(=C/c1cccc(Oc2ccccc2)c1)C(=O)Nc1cccc(I)c1 33870917 JGRPSFBGYLTKCX-ATVHPVEESA-N 466.278 5.629 50 10 JKGE CCCCOc1ccc(-c2nn(-c3ccccc3)cc2/C=C2/C(=O)N(C(C)C)C(=O)C(C#N)=C2C)cc1 38604346 GLCIRDQHVROKON-YZSQISJMSA-N 494.595 5.719 50 10 JKGE CCCOc1cccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4oc5cc(C)ccc5c4C)ccc32)c1 38700998 RYHUZXPTUOKVNH-HHHXNRCGSA-N 494.547 6.276 50 10 JKGE CCOc1ccc(-c2nn(-c3ccccc3)cc2/C=C(\C#N)c2nc3ccccc3n2C)c(C)c1 39983451 PRCIKZQFJQCDBW-HEHNFIMWSA-N 459.553 6.197 50 10 JKGE Cc1cc(C)c2c(CC(=O)N/N=C3\CCCc4oc(C(=O)Nc5ccc(F)cc5)c(C)c43)coc2c1 40826982 NYNFARYFQXWYQZ-NJZRLIGZSA-N 487.531 5.742 50 10 JKGE COc1cc(/C=N/NC(=O)CSc2nc(-c3ccc(Cl)cc3)cs2)ccc1OC(C)C 40924831 UDESKUNBIZUBOQ-BHGWPJFGSA-N 476.023 5.502 50 10 JKGE CCOc1cc(/C=C(/C#N)C(=O)Nc2ccccc2Cl)ccc1OCc1ccc(F)cc1 59117273 XHOGYGAVDUDMNZ-UYRXBGFRSA-N 450.897 6.002 50 10 JKGE O=C(NC1CCCCCC1)[C@H](c1ccc(Cl)cc1)N(CCc1ccccc1)C(=O)CCl 97914857 DWELUMCQAXUBAW-DEOSSOPVSA-N 461.433 5.530 50 10 JKGE N#C/C(=C/Nc1ccccc1OC(F)(F)[C@H](F)Cl)c1nc(-c2ccc3c(c2)OCO3)cs1 102419209 FPAMCLVBGZTZAX-DRHVUCGNSA-N 479.867 6.021 50 10 JKGE COc1ccccc1OCCn1cc(/C=C(/C#N)C(=O)Nc2nc3ccccc3s2)c2ccccc21 102443746 BKMNWYRICIJVMY-MNDPQUGUSA-N 494.576 5.884 50 10 JKGE CCCOC(=O)c1ccc(N/C=C(/C#N)c2nc(-c3cccc(Br)c3)cs2)cc1 102934369 GPWSJWCSJFUBGQ-LGMDPLHJSA-N 468.376 6.116 50 10 JKGE O=c1[nH]c2cc(Br)c([C@H](Br)Cc3ccc(Br)cc3)cc2[nH]1 109884496 XOIDTCMYLRFSSL-LLVKDONJSA-N 474.978 5.060 50 10 JKGE Brc1cc([C@@H](Br)[C@H]2C[C@@H]2c2ccccc2)sc1Br 164427553 CDVKPLVVYWAMGP-NRUUGDAUSA-N 451.021 6.513 50 10 JKGE CSc1ccc(Cl)cc1CC(=O)N/N=C\c1ccc(OC(=O)c2ccc(F)cc2)cc1 169922857 AONUWRMTDQCYCK-WGARJPEWSA-N 456.926 5.113 50 10 JKGE COC(=O)/C(C#N)=C/c1cccc(OC(=O)/C=C\c2ccc(OCc3ccc(C)cc3)cc2)c1 206744979 ZJHRADLFGAXOON-IHFHZXHXSA-N 453.494 5.273 50 10 JKGE Fc1cc(Br)c(Cl)cc1[C@H](Br)c1ccc(Cl)c(Br)c1 236230881 ZDUKSHFRIYHCME-CYBMUJFWSA-N 491.807 7.142 50 10 JKGE COc1cccc(CN(C(=O)CCl)[C@H](C(=O)N[C@H]2CCCC[C@H]2C)c2ccc(Cl)cc2)c1 252586914 ULFMPNOQTDYKIO-UWSIMGETSA-N 477.432 5.352 50 10 JKGE CCOC(=O)COc1c(Cl)cc(C=NNC(=O)c2cc3c(ccc4ccccc43)o2)cc1Cl 252596701 CLKRQOGPDVCOOK-UHFFFAOYSA-N 485.323 5.599 50 10 JKGE CCOc1ccccc1-c1cc(C(=O)NN=C(CC)c2cc(O)ccc2O)c2ccccc2n1 254302929 MWFZIDOQWGDJKX-UHFFFAOYSA-N 455.514 5.256 50 10 JKGE O=C(NN=Cc1cn(-c2ccccc2)nc1-c1ccc(OCc2ccccc2)cc1)c1ccccc1O 254381401 QVRRBMGHCWLMHN-UHFFFAOYSA-N 488.547 5.588 50 10 JKGE O=C(NN=Cc1ccc([N+](=O)[O-])o1)c1cc(-c2ccc(-c3ccccc3)cc2)nc2ccccc12 254618249 JOZVIIBGWDNLRM-UHFFFAOYSA-N 462.465 5.834 50 10 JKGE Cl[C@H](c1cccc(OCc2ccccc2)c1)c1cc(Br)ccc1Br 310154047 NWXARIHULDBKKS-HXUWFJFHSA-N 466.600 7.119 50 10 JKGE C[C@@H](Br)C[C@@H]1CCCCCN1Cc1cc(Cl)ccc1I 405198746 DMSUMSUPCAOXQH-DOMZBBRYSA-N 470.620 5.863 50 10 JKGE Cc1cc(Br)cc(CCl)c1OCc1cc(Cl)ccc1I 405312930 VDSYUGMWKSMMGB-UHFFFAOYSA-N 485.974 6.333 50 10 JKGE Fc1ccc(C[C@H](CBr)Cc2cc(Cl)ccc2I)cc1 405549447 YGHSCHIAPSJJPP-LBPRGKRZSA-N 467.547 5.880 50 10 JKGE CCOC(=O)CC[C@H](O)Cc1ccc(O[Si](C)(C)C(C)(C)C)c(O[Si](C)(C)C(C)(C)C)c1 504397688 XDHLIGLHBSYULY-FQEVSTJZSA-N 482.810 6.701 50 10 JKGE CC(C)(C)[Si](C)(C)OCCc1ccccc1[C@H]1CCN(CCO[Si](C)(C)C(C)(C)C)C1 616611982 IXJPJJAWVQWWAV-QHCPKHFHSA-N 463.855 7.062 50 10 JKGE CC(C)(C)OC(=O)NCCN1CCC[C@H](c2ccc(CCO[Si](C)(C)C(C)(C)C)cc2)C1 616619978 CZVBDVRGZJJRND-QHCPKHFHSA-N 462.751 5.955 50 10 JKGE CC(C)(C)OC(=O)NCCN1CCO[C@@H](c2ccccc2CO[Si](C)(C)C(C)(C)C)C1 616647492 UIHVQWMEPSUEID-OAQYLSRUSA-N 450.696 5.106 50 10 JKGE Fc1ccc([C@H](Br)Cc2ccc(Br)cc2F)cc1Br 692783529 DMVZXISPWWMAAB-LLVKDONJSA-N 454.934 6.169 50 10 JKGE Fc1ccc([C@H](Br)c2ccc(Cl)cc2Br)c(F)c1Br 701100637 YKBHJWOYGAVWJP-LLVKDONJSA-N 475.352 6.628 50 10 JKGE Brc1cc([C@H](Br)[C@@H]2CCC[C@@H]3CCCC[C@H]32)c(Br)s1 714457358 RCNZWWOHAYNTCG-ICUOPCATSA-N 471.096 7.316 50 10 JKGE BrCc1cc(Br)ccc1N1CC[C@@H]2[C@H](CCCN2Cc2ccccc2)C1 715013995 GPICIDDACPSBJN-XMSQKQJNSA-N 478.272 5.835 50 10 JKGE O=C(NN=Cc1cn(Cc2cccc(Cl)c2)c2ccccc12)c1ccccc1Br 1084025003 WKCDRAHCZYIBAR-UHFFFAOYSA-N 466.766 5.869 50 10 JKGE Cc1c(C(=O)N2c3ccc(F)cc3CC[C@@H]2C)oc2c1C(=NNC(=O)c1ccc(F)cc1)CCC2 1772745023 OTJPQVDZXJXSER-HNNXBMFYSA-N 477.511 5.318 50 10 JKGE Cc1c(C(=O)N2c3ccccc3C[C@@H]2C)oc2c1C(=NNC(=O)c1cccc3ccccc13)CCC2 1772748819 UJLQIDQTYOUJAP-SFHVURJKSA-N 477.564 5.803 50 10 JKGE COc1ccc(-c2nn(Cc3cc(C)ccc3C)c3c2[C@H](c2cccc(O)c2)C(C#N)=C(N)O3)cc1 1865681044 CXKFCVMVECTPAQ-RUZDIDTESA-N 478.552 5.148 50 10 JKGE CCCCCOc1ccc([C@H]2C(C#N)=C(N)Oc3c2c(CCC)nn3CC(C)C)cc1OC 1865695183 MBCWREWUAHAJGS-QHCPKHFHSA-N 452.599 5.287 50 10 JKGE CCCc1nn(Cc2ccc(Cl)cc2)c2c1[C@H](c1ccc(N(CC)CC)cc1)C(C#N)=C(N)O2 1865701641 AFRWKLCFTXKLQF-XMMPIXPASA-N 476.024 5.602 50 10 JKGE COc1ccc(-c2nn(-c3cccc(Cl)c3)c3c2[C@H](c2ccc(F)cc2F)C(C#N)=C(N)O3)cc1 1865701936 IUBZLLQWDNXEMK-JOCHJYFZSA-N 490.897 5.698 50 10 JKGE CCCOc1ccccc1[C@@H]1C(C#N)=C(N)Oc2c1c(C)nn2Cc1c(F)cccc1Cl 1865704336 SWJTVBRLBUICMJ-JOCHJYFZSA-N 452.917 5.039 50 10 JKGE COc1ccc(-c2nn(Cc3ccc(C)cc3)c3c2[C@@H](c2cccc(C)c2)C(C#N)=C(N)O3)cc1 1865711147 QPPBICMPHMEQAY-VWLOTQADSA-N 462.553 5.442 50 10 JKGE CCN1C(=O)COc2ccc(/C(C)=N/NC(=O)c3ccc(-c4ccc(Cl)c(Cl)c4)nc3C)cc21 1865763633 VKMOHRJAFHWXES-IPPBACCNSA-N 497.382 5.263 50 10 JKGE C[C@H]1CN(c2cc(Nc3ccc(SC#N)cc3)nc(-c3ccccc3)n2)C[C@@H](C)N1c1ccccc1 1868364896 HDOGDKCXDNBYHN-SZPZYZBQSA-N 492.652 6.564 50 10 JKGE CCOc1cc(/C=C(\C#N)c2nc3ccccc3[nH]2)ccc1OCc1c(Cl)cccc1Cl 1872726713 AMXSMNMNONFWHI-SFQUDFHCSA-N 464.352 6.912 50 10 JKGE CCOc1cc(/C=C(\C#N)c2nc(O)c3cc(OC)c(OC)cc3n2)ccc1OCc1ccccc1 1872727565 KKEUUBSCMHDCKR-UDWIEESQSA-N 483.524 5.394 50 10 JKGE N#C/C(=C(/O)CCCN1C(=O)c2ccccc2C1=O)c1nc(-c2ccc(Cl)cc2Cl)cs1 1872744624 AJXRNRSWYHKVHO-JZJYNLBNSA-N 484.364 5.986 50 10 JKGE N#C/C(=C(/O)CCCCCNC(=O)c1ccccc1)c1nc(-c2ccc(Cl)cc2)cs1 1872748389 VMWACBHRBALVKH-XDOYNYLZSA-N 451.979 6.247 50 10 JKGE CCCCOc1ccc(/C(O)=C(\C#N)c2nc(-c3cc(C)c(Cl)cc3OC)cs2)cc1OCC 1872757108 QROCFIUQNIZEFG-PLRJNAJWSA-N 499.032 7.308 50 10 JKGE COc1ccc(-c2csc(/C(C#N)=C(\O)c3ccc(Cl)cc3[N+](=O)[O-])n2)c2ccccc12 1872758904 WEUHLWNIBUXVLV-PYCFMQQDSA-N 463.902 6.483 50 10 JKGE CCOc1ccc(/C=C(\C#N)c2nc(-c3cc(C(C)(C)C)ccc3OC)cs2)cc1OCC 1872793249 PYUVQYJJXLHUDL-CPNJWEJPSA-N 462.615 6.978 50 10 JKGE Cc1ccc(COc2ccc(/C=C(\C#N)c3nc(-c4cc(Cl)ccc4Cl)cs3)cc2)cc1 1872795202 SNRYRRGGWYSEGL-UDWIEESQSA-N 477.416 8.069 50 10 JKGE CC(C)C[C@H](CBr)Cc1ccc(I)c(Br)c1 1904343554 KGWLCTAJNOCMQQ-NSHDSACASA-N 459.991 5.653 50 10 JKGE Fc1ccc(Cl)c([C@H](Cl)c2c(Br)sc(Br)c2Br)c1 1924590729 LEKCGWZZWXPBIB-VIFPVBQESA-N 497.836 7.156 50 10 JKGE Brc1sc(Br)c([C@H](Br)[C@@H]2[C@H]3COC[C@H]32)c1Br 1924604866 JJVRNNLKAHMOLX-UELCQGJWSA-N 495.856 5.364 50 10 JKGE Cc1cc(Br)c(F)c([C@H](Br)c2sc(Br)cc2C)c1 2038510659 DHAVSJHIFHRKQU-NSHDSACASA-N 457.000 6.513 50 10 JKGE Brc1cccc2c([C@H](Br)c3cscc3OCc3ccccc3)csc12 2038686666 RGBLCPINDDRYGW-IBGZPJMESA-N 494.273 7.789 50 10 JKGE C[C@H](C1CC1)N(Cc1ccccc1)S(=O)(=O)c1cc(CBr)ccc1Br 2059312004 FCSRNFWEWBMTPR-CQSZACIVSA-N 487.257 5.333 50 10 JKGE Cc1cnc(CC(CBr)(CBr)c2ccc(Br)cc2)s1 2087496593 JWSJBASBMYSGNM-UHFFFAOYSA-N 468.052 5.484 50 10 JKGE CC(C)CN1C[C@H](Br)[C@H](Cc2ccc(Br)cc2Br)C1 2100722712 MXKMJUDAOMIERH-DOMZBBRYSA-N 454.044 5.105 50 10 JKGE Cc1sc(Br)c([C@@H](Br)c2cc(C3CC3)c(Br)s2)c1C 2101012976 XRKINCFUBCTDSR-LBPRGKRZSA-N 485.104 7.313 50 10 JKGE Cc1c(Br)sc([C@@H](Br)c2cccc(C(F)F)c2)c1Br 2115949460 UPWXGYDAYVNJHA-JTQLQIEISA-N 474.990 7.003 50 10 JKGE CC1(C)CCCC[C@@]1(CBr)Cc1ccc(Br)cc1Br 2117013721 LIDVSQSDKIEUKK-INIZCTEOSA-N 453.056 6.736 50 10 JKGE Cc1c(Br)ccc([C@H](Br)C(F)(F)[C@H]2CCOC2)c1Br 2138849197 CVPYAQXMDKSWKD-UFBFGSQYSA-N 462.954 5.628 50 10 JKGE Brc1ccc([C@H](Br)c2csc3c2CCCC3)c(Br)c1 2138852540 ODVOCQZONRBSRN-HNNXBMFYSA-N 465.048 6.636 50 10 JKGE Cc1c(Br)ccc([C@@H](Br)C[C@H]2CCC23CCC3)c1Br 2138869668 BXHKFMGTPYTLCO-RISCZKNCSA-N 451.040 6.926 50 10 JKGE O=C(c1cc(Br)c(Br)s1)N1[C@@H](CBr)CCC12CCC2 2140861024 JBNGPKQXEIERCO-MRVPVSSYSA-N 472.040 5.195 50 10 JKGE Clc1cc(CN(CCBr)Cc2cccs2)ccc1I 2142943431 MCLHZDBAFFOEDE-UHFFFAOYSA-N 470.601 5.403 50 10 JKGE CCCCCC1CCC([C@H](Br)c2sc(Br)cc2Br)CC1 2168771520 DNGAKPRBEQRAEP-QOZQQMKHSA-N 487.139 8.096 50 10 JKGE Fc1cc(Br)cc(N2CCC[C@H]2[C@H]2CCN(Cc3ccccc3)C2)c1CBr 2170686345 WKIDAQQLPTYZQT-UWJYYQICSA-N 496.262 5.974 50 10 JKGE Cc1cc(CBr)ccc1S(=O)(=O)N(Cc1ccccc1)CC1CCCCC1 2179787586 QYHSINJQMGBLHJ-UHFFFAOYSA-N 450.442 5.661 50 10 JKGE FC1(F)C2(CC2)C12CC([C@H](Br)c1c(Cl)sc(Br)c1Cl)C2 2183919279 AYZNPXNFABTORC-GEHMTYFCSA-N 467.000 7.079 50 10 JKGE Cc1cc(Br)c(C)c([C@H](Br)[C@@H]2C[C@H]3CCCC[C@@H]32)c1Br 2201065233 OMJXIILTCRZVIR-IPJQOSJUSA-N 465.067 7.091 50 10 JKGE Cc1cc(Br)c(C)c([C@@H](Br)[C@@H]2CCCC23CCC3)c1Br 2201079122 QTPOCCYYOYTOGB-LRDDRELGSA-N 465.067 7.235 50 10 JKGE Fc1ccc([C@@H](Cl)c2c(Br)cc(F)c(Cl)c2F)c(I)c1 2201611552 QYDFLOJPQDLTED-LLVKDONJSA-N 495.891 6.453 50 10 JKGE Fc1ccc([C@@H](Br)c2c(Br)cc(F)c(Cl)c2F)c(Br)c1 2201618713 KIDBSSANVZGLNQ-LLVKDONJSA-N 493.342 6.767 50 10 JKGE COc1ccc([C@H](Br)c2ccc(Br)c(Cl)c2)c(Cl)c1Cl 2203433737 SCHAKUJQDXJKQB-GFCCVEGCSA-N 459.392 6.902 50 10 JKGE COc1ccc([C@H](Cl)c2cc(Br)cc(Br)c2)c(Cl)c1Cl 2203447524 JYKJBLYRHYMHIL-GFCCVEGCSA-N 459.392 6.855 50 10 JKGE CN(C(=O)c1ccc(Br)cc1I)C1(CCl)CCCCC1 2207273413 UTPRWMLAPWRIDU-UHFFFAOYSA-N 470.576 5.067 50 10 JKGE C[C@@H](Br)C[C@@H]1CCCCCN1Cc1ccc(I)c(Cl)c1 2208036291 MDFDTBCKOAMWPO-OCCSQVGLSA-N 470.620 5.863 50 10 JKGE Cc1cc(Br)c([C@@H](Br)c2sc(Br)c(C)c2C)s1 2215942713 BVSQPCFLADEULK-VIFPVBQESA-N 459.066 6.744 50 10 JKGE CC[C@]1([C@H](Br)c2cc(Br)c(Br)cc2F)CC1(F)F 2218603082 IUFUFASRHLQKEQ-GHMZBOCLSA-N 450.918 6.222 50 10 JKGE Cn1cc(Br)c([C@@H](Br)Cc2ccc(Br)cc2Cl)n1 2221705117 XQFSJCJBKCMGHR-VIFPVBQESA-N 457.391 5.277 50 10 JKGE ClCCc1nc2cc(Br)c(Br)cc2n1-c1cnn(Cc2ccccc2)c1 2225696936 OFRADRGGBNFWSQ-UHFFFAOYSA-N 494.618 5.577 50 10 JKGE Cc1cc(Br)c([C@H](Br)[C@@H]2CCCC23CC3)c(C)c1Br 2227359056 DXPONJHHKWPQSQ-XHDPSFHLSA-N 451.040 6.845 50 10 JKGE C[C@@H](Cl)c1nc2cc(Br)c(Br)cc2n1C[C@H]1C[C@H](Br)C1 2234066158 LSWXJCKLSMISHL-IWSPIJDZSA-N 485.445 6.035 50 10 JKGE COc1cc(Br)c([C@@H](Br)c2ccc(Br)cc2C)cc1C 2236012123 UAHZNHBPBIMKHG-INIZCTEOSA-N 463.007 6.321 50 10 JKGE CC1(CO[C@]2(CI)CCCN(C(=O)OC(C)(C)C)C2)CC2(CC(F)(F)C2)C1 2238839200 LOUHBTUMGBLPQU-IBGZPJMESA-N 499.380 5.423 50 10 JKGE O=C(c1cc(Br)c(Br)s1)N1[C@H](CBr)C[C@H]2CCCC[C@H]21 2240764589 WRFOLBABFYYLDO-WCABBAIRSA-N 486.067 5.441 50 10 JKGE O=C(c1cc(F)c(Br)cc1Cl)N(Cc1ccccc1)[C@@H](CBr)C1CC1 2256018556 NYDYKHMENGYHJX-SFHVURJKSA-N 489.610 6.058 50 10 JKGE Cc1cc(Br)c([C@H](Br)c2cc(Br)c(Cl)s2)c(C)c1F 2264469738 XHPUXDPBXHOWIL-LLVKDONJSA-N 491.445 7.167 50 10 JKGE FC1(F)C[C@H]([C@@H](Cl)c2c(Br)sc(Br)c2Cl)C12CCC2 2266145190 SKLWTQFHZUSUNZ-IYSWYEEDSA-N 454.989 7.032 50 10 JKGE C[C@@H](c1ccncc1Br)[C@@H](Br)c1c(F)cccc1I 2267731401 HGBXUUSJRMFJAK-RMLUDKJBSA-N 498.959 5.828 50 10 JKGE Brc1cc(Br)cc(C[C@@H](Br)[C@H]2CC[C@H]3C[C@H]2CO3)c1 2277948309 LOEKTMMKDQRQTK-FBUXBERBSA-N 453.012 5.333 50 10 JKGE Brc1cc(Br)cc(C[C@@H](Br)[C@@H]2CC[C@H]3C[C@H]3CC2)c1 2277950158 TYQIMOKJLMZART-OQMKEHIESA-N 451.040 6.344 50 10 JKGE C[C@@H]1Cc2cc([C@H](Br)c3ccc(Cl)c(I)c3)ccc2O1 2283573309 IMRAOLPYKFTFJN-ABKXIKBNSA-N 463.540 5.752 50 10 JKGE COc1c([C@@H](Br)c2nscc2Br)cc(Br)c2c1CCC2 2284515759 LLIYOVDZISNFCT-GFCCVEGCSA-N 482.035 5.650 50 10 JKGE COc1ccc([C@H](Br)C23CCC(C)(CC2)OC3)cc1I 2284999442 WEQXLKGASKUOKI-FHERZECASA-N 451.142 5.085 50 10 JKGE COc1ccc([C@H](Br)[C@@H]2CCCCCC2(F)F)cc1I 2285007979 LMHHUVXIWVTVTO-FZMZJTMJSA-N 459.112 5.951 50 10 JKGE C=CC[C@@]1(CBr)CCCN1C(=O)c1ccc(Br)cc1Br 2287756793 ZFIUYTYRKTXJMP-HNNXBMFYSA-N 466.011 5.157 50 10 JKGE COc1ccc(C)c([C@@H](Br)Cc2cc(Br)cc(Br)c2)c1 2295331921 PROXJRJGOQIBFP-INIZCTEOSA-N 463.007 6.207 50 10 JKGE COc1ccc(NC(=O)C(C#N)=Cc2cn(Cc3ccccc3)nc2-c2ccccc2)c(OC)c1 2295353406 PZXKRESDUWMFJQ-UHFFFAOYSA-N 464.525 5.161 50 10 JKGE COc1c(Br)cc(Cl)cc1[C@@H](Cl)Cc1ccccc1I 2295371841 BZQDNLYQBBUJDI-ZDUSSCGKSA-N 485.974 6.238 50 10 JKGE N#CC(=CNc1ccc(Cl)cc1C(F)(F)F)c1nc(-c2cccc([N+](=O)[O-])c2)cs1 2296033222 OUWTUWYGKZKFRB-UHFFFAOYSA-N 450.829 6.367 50 10 JKGE CCOC(=O)c1ccccc1NC=C(C#N)c1nc(-c2ccc(Br)cc2)cs1 2296763947 KNKYAAQVBHTPPN-UHFFFAOYSA-N 454.349 5.726 50 10 JKGE Cc1ccc(NC(SCc2cccc(F)c2)=C(C#N)S(=O)(=O)c2ccccc2)cc1Cl 2297349978 JGNVHSXZVXTJTM-UHFFFAOYSA-N 472.994 6.299 50 10 JKGE Cc1cc([N+](=O)[O-])ccc1NC(=O)C(C#N)=Cc1cc(C)n(-c2ccc(Cl)c(Cl)c2)c1C 2297491152 DMKDEELOMUOBMI-UHFFFAOYSA-N 469.328 6.163 50 10 JKGE N#CC(N=Cc1cc(Cl)cc(Cl)c1O)=C(C#N)N=Cc1cc(Cl)cc(Cl)c1O 2297563701 BDTLTMZQHICIIY-UHFFFAOYSA-N 454.100 5.508 50 10 JKGE C[C@@]1([C@@H](Br)c2ccc(OCc3ccccc3)cc2Br)CCCOC1 2299499211 YAYAIKHDTFLABC-VQTJNVASSA-N 454.202 6.281 50 10 JKGE C[C@@H]1OC2([C@@H](Br)c3ccc(OCc4ccccc4)cc3Br)CC1C2 2299533615 UYRDKOSTIXCGKU-YMJMOUTQSA-N 452.186 6.032 50 10 JKGE COc1cc(NC(=O)C(C#N)=Cc2ccc(-c3ccc(Br)cc3C)o2)ccc1Cl 2313548924 IZXXPDKJYQAZDS-UHFFFAOYSA-N 471.738 6.225 50 10 JKGE COc1cc(C=C(C#N)c2nc3ccccc3[nH]2)ccc1OCc1c(Cl)cccc1Cl 2314397137 VGZMBINCTYNGSM-UHFFFAOYSA-N 450.325 6.521 50 10 JKGE Cc1ccc([C@H](Br)c2cc(Br)ccc2OCc2ccccc2)c(C)c1 2314450355 YMCALOGJCYAADZ-QFIPXVFZSA-N 460.209 7.129 50 10 JKGE N#CC(=Cc1ccc2noc(-c3ccccc3)c2c1)C(=O)Nc1ccc(Cl)c(C(F)(F)F)c1 2314489240 RBECUMMHCBEDLC-UHFFFAOYSA-N 467.834 6.713 50 10 JKGE N#CC(=Cc1ccc2noc(-c3ccc(Cl)cc3)c2c1)C(=O)Nc1cccc(C(F)(F)F)c1 2314572367 ZHUHXQTVCGGXEA-UHFFFAOYSA-N 467.834 6.713 50 10 JKGE CCOC(=O)C(C#N)=Cc1ccc(OC(=O)CCCOc2ccc(Cl)cc2Cl)c(OC)c1 2314739547 DXENPIDPTIAIFN-UHFFFAOYSA-N 478.328 5.237 50 10 JKGE COC(=O)c1c(NC(=O)C(C#N)=Cc2ccc(Cl)cc2)sc(C)c1-c1ccc(F)cc1 2314761111 PZHNBGVPTHNZEC-UHFFFAOYSA-N 454.910 5.848 50 10 JKGE CCCCCOc1ccc(C=CC(=O)Oc2ccc(C=C(C#N)C(=O)NCCCC)cc2)cc1OC 2314777329 ZHZOLSNULHBCPX-UHFFFAOYSA-N 490.600 5.706 50 10 JKGE Fc1c(Br)cc(Cl)c([C@@H](Br)C[C@H]2CCOC2)c1Br 2315437315 VWYAVOVKKIRYFA-RQJHMYQMSA-N 465.382 5.867 50 10 JKGE Cc1ccc2nc(-c3ccc(NC=C(C#N)C(=O)Nc4cccc(Cl)c4Cl)cc3)sc2c1 2318454894 INYBKHTUCWWSHZ-UHFFFAOYSA-N 479.392 7.037 50 10 JKGE CC[C@H](NC(=O)C(C#N)=CN(Cc1ccccc1)Cc1ccccc1)c1ccc2c(c1)CCCC2 2325092467 VOTDMEUJNSQFMZ-PMERELPUSA-N 463.625 6.243 50 10 JKGE CC1(C)CCC[C@@]1(CBr)Cc1ccc(I)c(Br)c1 2325221599 HMCRYAGWTFUVIV-HNNXBMFYSA-N 486.029 6.188 50 10 JKGE C[C@@]1(CCBr)CCN(Cc2ccc(I)c(Br)c2)C1 2325233209 JWOWLIMXLMLYLN-CQSZACIVSA-N 487.017 5.051 50 10 JKGE CC[C@]1(C)[C@@H](Br)C[C@H]1OCc1ccc(I)c(Br)c1 2325371114 JWMYERKVPPPDTQ-BFHYXJOUSA-N 488.001 5.522 50 10 JKGE Cc1cc(Br)c([C@@H](Br)C[C@H]2CCC[C@@H]3C[C@H]23)cc1Br 2330817006 UDFMMXNCOMFZNP-YMEQNVIZSA-N 451.040 6.782 50 10 JKGE COc1cc(C=C(C#N)c2nc3ccccc3n2C)ccc1OCc1ccc(C(C)(C)C)cc1 2331019677 KZDFATWBWVWWGN-UHFFFAOYSA-N 451.570 6.523 50 10 JKGE COc1cccc(C=C(C#N)c2nc3ccccc3s2)c1OCc1ccc(Cl)c(Cl)c1 2331025555 NDATZTSUNNSBBI-UHFFFAOYSA-N 467.377 7.255 50 10 JKGE CCCCCCCCCOc1ccc(C=C(C#N)n2cnc3ccccc32)cc1Br 2331032787 GFVVLTUONBAUJQ-UHFFFAOYSA-N 466.423 7.450 50 10 JKGE CCOc1ccc(CCC(O)=C(C#N)c2nc(-c3cccc([N+](=O)[O-])c3)cs2)cc1OC 2331236560 GAEDXLPAPHXSHN-UHFFFAOYSA-N 451.504 5.551 50 10 JKGE Cc1ccc(OCCCC(O)=C(C#N)c2nc(-c3ccc(Br)cc3)cs2)cc1 2331260438 IRZGCLDBBRCKJM-UHFFFAOYSA-N 455.377 6.533 50 10 JKGE CC[C@@H](C)N1C(=O)c2ccc(C(O)=C(C#N)c3nc(-c4ccc(Cl)s4)cs3)cc2C1=O 2331400771 TYGIXRJNXYETPV-LLVKDONJSA-N 469.975 5.869 50 10 JKGE CCCCCCOc1ccc(C=C(C#N)c2nc(-c3cccc([N+](=O)[O-])c3)cs2)cc1OC 2331414702 ZZJBCYIANNRVQT-UHFFFAOYSA-N 463.559 6.750 50 10 JKGE CCCCCOc1ccc(C=C(C#N)c2nc(-c3cccc(Br)c3)cs2)cc1 2331432117 RBIFBKQKQMKKBB-UHFFFAOYSA-N 453.405 7.206 50 10 JKGE COc1ccc(-c2csc(C(C#N)=Cc3ccc(OCc4ccc(C)cc4)c(OC)c3)n2)cc1F 2331455670 FOTDDCAYFBYWLO-UHFFFAOYSA-N 486.568 6.918 50 10 JKGE Cc1cc(C)c(C)c(-c2csc(C(C#N)=Cc3cccc(OCc4ccccc4)c3)n2)c1C 2331468692 OPZUWYHDKYMHFC-UHFFFAOYSA-N 450.607 7.687 50 10 JKGE Brc1cc(OCc2ccccc2)ccc1[C@H](Br)C1C2(CCC2)C12CCC2 2336044825 QXLPYYWCCYDUDG-FQEVSTJZSA-N 476.252 7.435 50 10 JKGE COC1([C@H](Br)c2c(Cl)cc(Br)c(F)c2Br)CC(C)C1 2337094137 MCNCIOBYBFSHBI-SKPUXYCPSA-N 479.409 6.255 50 10 JKGE Cc1nc(Br)c([C@@H](Cl)c2cc(Br)c(Br)cc2F)n1C 2337321957 QCMCUSGFNOAXKX-JTQLQIEISA-N 475.381 5.483 50 10 JKGE FC1(F)CCC2(CC1)C[C@@H]2[C@H](Br)c1sc(Cl)cc1I 2338567316 YWUIEQMISPCAJF-XCBNKYQSSA-N 481.571 6.658 50 10 JKGE Cc1cc(Br)c(F)c(Br)c1[C@H](Br)[C@@H]1C[C@H]2C[C@@H]2CO1 2339653762 MUJAPGCTFRYBBE-CUKVJPMHSA-N 456.975 5.520 50 10 JKGE COCC1([C@@H](Br)c2c(C)cc(Br)c(OC)c2Br)CC1 2339657027 TWNIFRHALYUZNA-ZDUSSCGKSA-N 457.000 5.391 50 10 JKGE Fc1cc(Br)cc([C@@H](Cl)c2c(F)cc(Cl)c(Br)c2Cl)c1 2360428903 KGDDMBHJAUGAIB-GFCCVEGCSA-N 465.346 7.125 50 10 JKGE CCOc1ccc([C@@H](Br)c2c(Br)nc(C)n2C)c(Br)c1 2362484239 YXTJDDAOAFGODP-GFCCVEGCSA-N 466.999 5.137 50 10 JKGE COC[C@]1(C)C[C@@H]1[C@H](Br)c1c(C)cc(Br)c(OC)c1Br 2365220977 YRROGXPPNGNWSN-LYSGOOTNSA-N 471.027 5.637 50 10 JKGE Cc1cc(Br)c(F)c(Br)c1[C@H](Br)[C@@H]1CC[C@@H]1C(C)(C)C 2369053011 DWFWOMROFIAYTJ-GBIKHYSHSA-N 471.046 7.167 50 10 JKGE FC(F)(F)[C@@H]1[C@@H](Br)CCCN1Cc1cc(I)ccc1Cl 2380514605 FJGQWDDLTMRAFN-JQWIXIFHSA-N 482.509 5.235 50 10 JKGE Cc1ccc(C[C@H]2S/C(=C(C#N)\C(O)=N\c3ccc(F)cc3)N(c3ccc(C)cc3)C2=O)cc1 2408042 RBYJHADLRRXOCC-NLTRVXJZSA-N 471.557 6.157 50 10 JKGE CCOC(=O)c1sc(NC(=O)CCCSc2ccc(Cl)cc2)c(SC#N)c1C 9910739 IHUZBBFGRNAULP-UHFFFAOYSA-N 455.026 5.971 50 10 JKGE CCCCCCOc1ccc(C(=O)NNC(=S)NC(=O)c2ccc(OCCCCC)cc2)cc1 14029819 IQVJLBGYOUELPG-UHFFFAOYSA-N 485.650 5.164 50 10 JKGE CC[C@H](Oc1ccc(-c2ccccc2)cc1)C(=O)NNC(=O)c1ccc(NC(=O)C2CCCCC2)cc1 14768753 ILIVPTWGSFDCDP-MHZLTWQESA-N 499.611 5.491 50 10 JKGE Cc1cc(C)c(NC(=O)/C(C#N)=C/c2c(C)nn(Cc3ccc(Cl)cc3)c2Cl)c(C)c1 16437128 XPLSQVREIBNDLU-YBFXNURJSA-N 453.373 6.018 50 10 JKGE CCn1c(SCC(=O)NN(Cc2ccccc2)c2ccccc2)nnc1-c1ccccc1C 32255488 ZOJPUDYCYYHXHO-UHFFFAOYSA-N 457.603 5.104 50 10 JKGE COc1cccc2cc(-c3nn(-c4ccccc4)cc3/C=C(/C#N)C(=O)Nc3ccc(C)cc3)oc12 33515845 STVAGZAWHBBMFS-QNGOZBTKSA-N 474.520 6.148 50 10 JKGE CC(C)(C)c1ccc(OCC(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@H]3c2cccc(Cl)c2)cc1 38651226 HIAQMLIEQYJWRJ-SANMLTNESA-N 488.971 5.840 50 10 JKGE CCOc1ccc(/C=N/NC(=O)COc2cc(C)c(Br)cc2C(C)C)cc1OCC 40911419 HWZQRMHPJITIME-DHRITJCHSA-N 477.399 5.207 50 10 JKGE Cc1ccccc1COc1ccc(/C=N/NC(=O)CSc2nc(-c3ccccc3)cs2)cc1 40924628 KLTNYSZUFIZQLW-JFLMPSFJSA-N 473.623 5.940 50 10 JKGE C=CCc1cc(/C=N/NC(=O)c2cc3ccccc3o2)cc(OC)c1OCc1ccc(C(=O)O)cc1 59305157 YTQVRJRMYVYGHX-MUFRIFMGSA-N 484.508 5.211 50 10 JKGE CCOc1ccc2nc(Sc3ccc(/C=N/NC(=O)c4cccc(Cl)c4)o3)sc2c1 59506479 DXIUWHOVRYVEBK-FSJBWODESA-N 457.964 5.857 50 10 JKGE CC(C)C1=CC(=C(C#N)C#N)C=C(/C=C/c2cc3c4c(c2)C(C)(C)CCN4C(C)(C)C[C@@H]3C)O1 72266019 CSANIHVYKOULCA-IBDYFIJFSA-N 453.630 7.271 50 10 JKGE COc1ccc(N2C(=O)[C@H](Cc3ccc(Cl)cc3)S/C2=C(/C#N)C(=O)Nc2ccccc2)cc1 101244595 JVUVRNQYQQMKCY-YDYXIROLSA-N 489.984 5.414 50 10 JKGE COc1cc(C)c(Br)cc1[C@@H](Cl)c1ccccc1I 115069933 FTWOYBYHHRFPCK-HNNXBMFYSA-N 451.529 5.699 50 10 JKGE COc1cc([C@H](Br)c2ccc(Br)o2)c(OC)cc1Br 134299389 SWHZVAZVYQWEMQ-ZDUSSCGKSA-N 454.940 5.306 50 10 JKGE Cc1cc(Br)c(S(=O)(=O)Nc2ccc(CBr)cc2)cc1Br 136882240 GEXQQCPAKDWPON-UHFFFAOYSA-N 498.034 5.216 50 10 JKGE C[C@@](CI)(OCCCc1ccccc1)c1ccccc1Br 162281783 BSNQNLMOYFFFKL-SFHVURJKSA-N 459.165 5.749 50 10 JKGE Clc1cnccc1C[C@H](Br)c1cc(Br)c(Br)s1 167037782 XFCRTPOSCZRLGN-ZETCQYMHSA-N 460.416 6.000 50 10 JKGE Brc1ccc(Br)c([C@H](Br)[C@@H]2CCc3ccccc3C2)c1 223603492 IUAMPYXZBYDQML-CXAGYDPISA-N 459.019 6.453 50 10 JKGE COc1ccc([C@@H](Cl)c2csc(I)c2)c(OC)c1Br 224830705 ZXOVLKCGRKNNNW-LBPRGKRZSA-N 473.557 5.461 50 10 JKGE FC(F)(F)Oc1ccc([C@H](Br)c2cc(Br)c(Cl)s2)cc1 227844674 YBEIVDPFFKQUDD-JTQLQIEISA-N 450.501 6.547 50 10 JKGE COc1cc(F)c([C@@H](Br)c2cc(Cl)ccc2I)c(F)c1 234988948 JTLBFZPIJKVWKK-AWEZNQCLSA-N 473.482 5.716 50 10 JKGE Clc1ccc([C@@H](Cl)c2cc(Br)c(Br)s2)cc1Br 236040333 PBAAJFJWGLODSW-SNVBAGLBSA-N 479.846 7.017 50 10 JKGE CCCOc1ccc(-c2cc(C(=O)NN=Cc3cc(OC)c(OC)c(OC)c3)c3ccccc3n2)cc1 252625692 QPHKIUUNBZWSAY-UHFFFAOYSA-N 499.567 5.480 50 10 JKGE CC(CC(=O)Nc1ccc(Cl)c(C(F)(F)F)c1)=NNC(=O)c1cc2ccccc2cc1O 254289665 NLBYKFPTYDZELL-UHFFFAOYSA-N 463.843 5.352 50 10 JKGE aggregator BrCc1cc2sccc2c(I)c1I 306607065 HTQXGYYZIIEAFB-UHFFFAOYSA-N 478.918 5.005 50 10 JKGE COc1cc(F)c(Br)cc1[C@@H](Br)c1ccccc1OCc1ccccc1 312121288 VIDGCCFHMJMAOV-NRFANRHFSA-N 480.171 6.660 50 10 JKGE BrCc1cc(Br)cc(Br)c1O[C@H]1CCOC2(CCC2)C1 312653547 LFLHMDQFOAJRGS-LBPRGKRZSA-N 469.011 5.587 50 10 JKGE FC1(F)CCC[C@@H]1COc1c(Br)cc(Br)cc1CBr 381551230 UQPBHPWBCPSQLG-SECBINFHSA-N 462.954 5.921 50 10 JKGE C[C@@H]1[C@@H](n2c(CCl)nc3cc(I)ccc32)CCN1Cc1ccccc1 385278127 RETTWSMSNVHOCR-KDOFPFPSSA-N 465.766 5.215 50 10 JKGE Cc1cc([C@@H](Cl)c2cc(I)ccc2Br)c(C)cc1F 386497864 ZWQLRDXYTWFCGV-OAHLLOKOSA-N 453.520 6.138 50 10 JKGE 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 504439909 GSJLBVBYMSNTPZ-TZAOTMHASA-N 468.977 5.457 50 10 JKGE CC(C)(C)[Si](C)(C)OCCc1ccccc1[C@H]1COCCN1CCO[Si](C)(C)C(C)(C)C 616600343 FKOQWHXEXDUVCF-XMMPIXPASA-N 479.854 6.646 50 10 JKGE CC(C)(C)OC(=O)NCCN1CCc2ccccc2[C@@H]1c1ccc(CO[Si](C)(C)C(C)(C)C)cc1 616693268 UVGSONMJFFJIAA-SANMLTNESA-N 496.768 6.681 50 10 JKGE O=C(c1scc(Br)c1Br)N1CCCC[C@H]1CCBr 705408998 KVOPMRYXLNWFGG-QMMMGPOBSA-N 460.029 5.053 50 10 JKGE Fc1ccc2nc(CCl)n(CC3(N(Cc4ccccc4)Cc4ccccc4)COC3)c2c1F 705783961 UOWBPPXNKNXVNZ-UHFFFAOYSA-N 467.947 5.525 50 10 JKGE CCOc1ccc([C@@H](O)CCC(=O)NN=Cc2cc(C)n(-c3ccc(F)c(Cl)c3)c2C)cc1 725418258 NOXZWQLHRHDYOO-DEOSSOPVSA-N 471.960 5.249 50 10 JKGE COc1ccc(C(=O)NN=Cc2c(Br)c(C)n(-c3ccc(C)cc3C)c2C)cc1OC 1084124402 BRGOZTQZENNYKS-UHFFFAOYSA-N 484.394 5.255 50 10 JKGE O=C(CSCc1ccccc1Cl)NN=C1C(=O)N(Cc2ccccc2Cl)c2ccccc21 1084149813 ULKJDELFWVZZRG-UHFFFAOYSA-N 484.408 5.294 50 10 JKGE COc1cc(C=NNC(=O)c2cc3ccccc3o2)ccc1OCc1cccc2ccccc12 1084375693 VOJZVSJKJBKCIT-UHFFFAOYSA-N 450.494 5.938 50 10 JKGE Cc1ccccc1-n1c(C)cc(C=NNC(=O)CSC2c3ccccc3-c3ccccc32)c1C 1084435511 BQAMYTOEISJYHE-UHFFFAOYSA-N 465.622 6.356 50 10 JKGE CC(C)(C)Oc1ccc([C@H]2CN(C(=O)OCc3ccccc3)C[C@@H]2CI)cc1 1614619726 AJYVVRKFLDGKSH-PZJWPPBQSA-N 493.385 5.651 50 10 JKGE COc1cccc(C(=O)NN=C2CCCc3oc(C(=O)Nc4cc(Cl)ccc4Cl)c(C)c32)c1 1772750284 YWXANBCDUNOCTG-UHFFFAOYSA-N 486.355 5.626 50 10 JKGE CCc1nn(-c2ccc(Br)cc2)c2c1[C@@H](c1cccc3ccccc13)C(C#N)=C(N)O2 1865682063 DXAQDFGZWOTCDF-QFIPXVFZSA-N 471.358 5.569 50 10 JKGE COc1ccc(-n2nc(C(F)(F)F)c3c2OC(N)=C(C#N)[C@@H]3c2cccc3ccccc23)cc1 1865682464 PAYMSICIYKWGRD-FQEVSTJZSA-N 462.431 5.271 50 10 JKGE N#CC1=C(N)Oc2c(c(C(F)(F)F)nn2-c2ccccc2Cl)[C@@H]1c1cc(Cl)ccc1O 1865689153 LGZLPPOOMGTFSE-OAHLLOKOSA-N 467.234 5.122 50 10 JKGE CCCc1nn(-c2ccc(Cl)cc2)c2c1[C@H](c1cccc(OC)c1OCC)C(C#N)=C(N)O2 1865693125 LLJFPMPPPBZVFD-OAQYLSRUSA-N 464.953 5.104 50 10 JKGE CCCCOc1ccc([C@@H]2C(C#N)=C(N)Oc3c2c(C)nn3-c2cccc3ccccc23)cc1 1865693329 UXSOLXBHKHZEEU-AREMUKBSSA-N 450.542 5.731 50 10 JKGE N#CC1=C(N)Oc2c(c(-c3ccccc3)nn2-c2ccc(Cl)c(Cl)c2)[C@@H]1c1ccc(F)cc1F 1865701775 FABCUBNEHASUEQ-OAQYLSRUSA-N 495.316 6.342 50 10 JKGE CCc1nn(-c2ccccc2Cl)c2c1[C@@H](c1cccc(OCc3ccccc3)c1)C(C#N)=C(N)O2 1865712355 WIPUJYBVCXBVQI-VWLOTQADSA-N 482.971 5.885 50 10 JKGE N#CSc1ccc(Nc2cc(N3CC[C@H](c4ccc5c(c4)OCO5)C3)nc(-c3cccnc3)n2)cc1 1868565871 OVMUHLLCGLILME-FQEVSTJZSA-N 494.580 5.578 50 10 JKGE COc1cc(/C=C(\C#N)c2nc3cc(C)ccc3n2C)cc(Br)c1OCc1ccccc1 1872728181 QYOXDZKVCDUOCT-UDWIEESQSA-N 488.385 6.296 50 10 JKGE COc1cc(/C=C(\C#N)c2nc(-c3ccc(C)c(C)c3)cs2)ccc1OC(=O)c1ccccc1 1872793695 OQUHXSYEEKOBBT-OEAKJJBVSA-N 466.562 6.719 50 10 JKGE COc1cc(/C=C(\C#N)c2nc(-c3ccc(Cl)s3)cs2)cc(Br)c1OC(C)C 1872794577 JYVIUVNOBAHGGZ-AWNIVKPZSA-N 495.851 7.147 50 10 JKGE Cc1sc(C)c(S(=O)(=O)N(CCCBr)Cc2ccccc2)c1Br 1914649131 IMQBQCDYONEZRE-UHFFFAOYSA-N 481.275 5.103 50 10 JKGE CC(C)[C@@H](CBr)N(Cc1ccccc1)S(=O)(=O)c1ccc(Br)s1 1915291417 OLIZBPCPQOJWGR-CQSZACIVSA-N 481.275 5.121 50 10 JKGE Cc1cccc([C@@H](Br)c2sc(Br)c(C)c2Br)c1F 1922945024 BTWGLEAZNGSOSG-SNVBAGLBSA-N 457.000 6.513 50 10 JKGE COc1ccc(C)cc1[C@@H](Br)c1sc(Br)cc1Br 1922946809 VQUHSNRGEPWXIO-GFCCVEGCSA-N 455.009 6.074 50 10 JKGE Cc1c(Br)sc([C@H](Br)c2ccc(F)cc2Cl)c1Br 1922955381 YRRUGTXJGXZIFB-SNVBAGLBSA-N 477.418 6.858 50 10 JKGE Brc1sc(Br)c([C@H](Br)[C@@H]2CCCCO2)c1Br 1924579582 HNOHRHRCDRSANW-CAHLUQPWSA-N 497.872 6.041 50 10 JKGE C[C@@H]1OCC[C@H]1[C@H](Cl)c1c(Br)sc(Br)c1Br 1924579942 MAYNOZROLISDML-UUEMRFSQSA-N 453.421 5.741 50 10 JKGE CCCC[C@@H](C)[C@H](Cl)c1c(Br)sc(Br)c1Br 1924581249 ZCBZCCXFBCWMTN-MUWHJKNJSA-N 453.465 7.142 50 10 JKGE CC(C)(C1CC1)[C@@H](Cl)c1c(Br)sc(Br)c1Br 1924615059 VSPXFDDZPRNVTO-QMMMGPOBSA-N 451.449 6.752 50 10 JKGE Clc1ccsc1[C@H](Br)c1ccc(Br)cc1I 1995286359 RVKDGAALDLYRHY-SNVBAGLBSA-N 492.401 6.253 50 10 JKGE Clc1c(Br)sc(Br)c1[C@H](Br)[C@H]1C[C@@H]1C1CCC1 2022291806 PWUNKHLNAXPOTQ-BKPPORCPSA-N 463.460 6.799 50 10 JKGE CCc1cc(Br)c([C@H](Cl)c2cc(Br)cc(Br)c2)s1 2029240365 VWKXKHOXJPLFSI-GFCCVEGCSA-N 473.455 6.926 50 10 JKGE CCc1cc(C)sc1[C@@H](Br)c1cccc(Br)c1Br 2031479917 PGDBGGCKKQYTGE-ZDUSSCGKSA-N 453.037 6.628 50 10 JKGE C[C@@H]1CCc2c(sc3nc(C(C#N)=Cc4ccc(-c5cc(Cl)ccc5Cl)o4)nc(O)c23)C1 2040445944 AYFVIBSMKQJBSS-GFCCVEGCSA-N 482.392 7.153 50 10 JKGE FC1(F)[C@@H]2COC[C@@]21[C@@H](Br)c1c(Br)sc(Br)c1Cl 2043518087 CIUUSAQSYDGWIE-PHTXQJRJSA-N 487.385 5.644 50 10 JKGE COCc1cccc([C@@H](Br)c2cc(Br)c(Br)s2)c1 2071272700 ZWBKIOIVKKQVNR-GFCCVEGCSA-N 455.009 5.904 50 10 JKGE CCn1cc([C@@H](Br)c2c(Br)sc(C)c2C)nc1Br 2082883936 IDOXLOUSFFETGS-SNVBAGLBSA-N 457.029 5.591 50 10 JKGE Fc1cc(Cl)cc([C@@H](Br)c2ccc(Br)cc2Br)c1 2083323801 YFXWFSVOXLWEOJ-CYBMUJFWSA-N 457.362 6.488 50 10 JKGE CC1(C)C[C@H](Br)CCN(C(=O)c2csc(Br)c2Br)C1 2093947151 PWPQOZJTKAKNNE-MRVPVSSYSA-N 474.056 5.299 50 10 JKGE Clc1ccc(OCc2c(Br)cccc2Br)c(CBr)c1 2094090427 HGBWRONDBUGQTG-UHFFFAOYSA-N 469.398 6.339 50 10 JKGE Clc1ccc([C@@H](Br)c2cc(C3CC3)c(Br)s2)c(Br)c1 2094674311 UFNZMNRCYSLYMK-CYBMUJFWSA-N 485.466 7.288 50 10 JKGE Cc1c(Br)cc(CCl)cc1S(=O)(=O)N(Cc1ccccc1)C1CCCC1 2095888677 LHMJKVSVERGOAL-UHFFFAOYSA-N 456.833 5.630 50 10 JKGE O=[N+]([O-])c1cc(Br)c(Oc2ncc(CBr)s2)c(Br)c1 2099110748 HXWRXWFIBRDSJO-UHFFFAOYSA-N 472.940 5.264 50 10 JKGE C[C@H](Cl)c1nc2cc(Cl)c(Br)cc2n1[C@@H]1CCN(Cc2ccccc2)C1 2112690462 FRHMZDLSOGDFDL-DZGCQCFKSA-N 453.211 6.199 50 10 JKGE FC1(F)CCC[C@@H]2[C@H]([C@H](Cl)c3c(Br)sc(Br)c3Cl)[C@H]21 2114390789 BVFHIUVNFSQILA-ZILMGAKASA-N 454.989 6.888 50 10 JKGE CO[C@H]1C[C@@H]([C@H](Cl)c2c(Br)sc(Br)c2Cl)C[C@H]1OC 2118286096 ORKGHWVSWAVOLK-XQXXSGGOSA-N 453.023 5.646 50 10 JKGE Cc1cc(Br)c(C)c([C@@H](Br)[C@@H](C)C2CCCC2)c1Br 2136373229 AUMHVLAKFXQBCA-QFYYESIMSA-N 453.056 7.091 50 10 JKGE Cc1nsc(Br)c1[C@H](Cl)c1c(Br)cc(F)c(Cl)c1F 2136966961 OYMUYVWEWZJTMZ-VIFPVBQESA-N 451.945 6.236 50 10 JKGE COc1ccc([C@H](Cl)c2cc(Br)c(Br)s2)c(Cl)c1Cl 2138635469 QKNINTUKFCAGCN-VIFPVBQESA-N 465.421 6.917 50 10 JKGE CC(C)(C)[C@@H]1CC[C@H](Br)[C@H](Cc2ccc(Br)cc2Br)C1 2148685244 MJNJTPMWWOYLRQ-NFAWXSAZSA-N 467.083 6.980 50 10 JKGE Cc1cc([C@H](Br)c2cc(Br)cc3c2OCCC3)c(Br)s1 2157245589 QGRNGQAXHUAVLE-CYBMUJFWSA-N 481.047 6.391 50 10 JKGE COc1cc(C)c(Br)cc1[C@H](Br)c1c(Br)sc(C)c1C 2157250281 CDRLYBTVSODIHN-AWEZNQCLSA-N 483.063 6.691 50 10 JKGE CCc1ncc(CC(CBr)(CBr)c2ccccc2Br)s1 2172942351 KHSWGEUJNJBEQE-UHFFFAOYSA-N 482.079 5.738 50 10 JKGE BrC[C@]1(Cc2cccc(Br)c2Br)CCCCC12CCC2 2173612938 SBCZARQSHRLHPM-QGZVFWFLSA-N 465.067 6.880 50 10 JKGE C[C@@H]1CCC[C@@]12[C@@H](Oc1c(Br)cc(Br)cc1Br)C[C@H]2Cl 2173617955 FXBJNSXGFIDIAA-IRTPTFBHSA-N 487.457 6.539 50 10 JKGE Cc1c(CBr)cc(Cl)cc1S(=O)(=O)N(Cc1ccccc1)[C@@H](C)C(C)(C)C 2179861221 DTKPYAQDCQKYJS-INIZCTEOSA-N 472.876 6.169 50 10 JKGE FC(F)(F)c1ccc(Oc2cccc(I)c2)cc1CBr 2181259406 IWPSFQAMKUTSEQ-UHFFFAOYSA-N 457.027 5.997 50 10 JKGE FC(F)(F)[C@H]1OC2([C@@H](Br)c3cc(Br)ccc3Br)CC1C2 2193094454 QXOYVESEQUBZQJ-GGIIHBSNSA-N 478.928 5.758 50 10 JKGE Cc1cc(Br)c(C)c([C@H](Cl)c2c(C)cccc2Br)c1Br 2201077020 GVGVCZSKBLKADB-MRXNPFEDSA-N 481.453 7.228 50 10 JKGE COc1c(C)cc(Br)cc1[C@H](Cl)c1cccc(F)c1I 2206602823 GRZUNCRGJVEYOC-CYBMUJFWSA-N 469.519 5.838 50 10 JKGE CC(C)(C)OC(=O)NC[C@@H]1C[C@H](C(C)(C)C)CN(CCCCCI)C1 2220213096 BYESWNKRTYLYQL-IRXDYDNUSA-N 466.448 5.101 50 10 JKGE Cc1cc(Br)c([C@H](Br)c2cc(Br)c(Cl)cc2C)s1 2221820451 OSFYCXAQXQNPHI-GFCCVEGCSA-N 473.455 7.028 50 10 JKGE Cc1cc(Br)c([C@@H](Cl)c2ccccc2OCc2ccccc2)c(C)c1Br 2227353786 UWISMZMYPIWURP-QFIPXVFZSA-N 494.654 7.736 50 10 JKGE FC(F)(F)[C@@H]1CCO[C@@H]1[C@H](Cl)c1c(Br)sc(Br)c1Cl 2231815050 UPFAUVBIYIEHBJ-JNKKYWAOSA-N 462.940 6.174 50 10 JKGE COCC12CCC([C@@H](Br)c3cc(Br)sc3Br)(CC1)CO2 2237695980 OSHCLOHHXMMPHS-XGNXJENSSA-N 489.067 5.685 50 10 JKGE Cc1cccc([C@H](Br)c2ccc([C@@H]3CCOC3)s2)c1I 2240431734 LWZGWGVYWSZTNG-ABAIWWIYSA-N 463.178 5.649 50 10 JKGE CCOc1ccc([C@H](Cl)c2cc(C)ccc2I)cc1Br 2241003117 ZOXMBSMUFYGCHG-INIZCTEOSA-N 465.556 6.089 50 10 JKGE Brc1ccc(I)c([C@H](Br)Cc2cnsc2)c1 2242938680 JDHCGJLASULCKL-SNVBAGLBSA-N 472.971 5.189 50 10 JKGE CC(C)c1cc(Br)cc(C(=O)N(CCCBr)Cc2ccccc2)c1 2247250035 FKVPVXXKJVBJRX-UHFFFAOYSA-N 453.218 6.000 50 10 JKGE CCCCc1ccc([C@@H](Br)c2cc(Br)sc2Br)s1 2253413004 RKWBNFNVRHJRPQ-LBPRGKRZSA-N 473.093 7.162 50 10 JKGE CCc1cc([C@H](Cl)c2ccc(I)c(C)c2)sc1Br 2255977326 DZTNIHCCGPFUSJ-CYBMUJFWSA-N 455.586 6.314 50 10 JKGE Brc1ccc([C@H](Br)C[C@@H]2CCCCC23CC3)c(Br)c1 2264948631 QQZCKHVSHDUAQD-SMDDNHRTSA-N 451.040 7.008 50 10 JKGE Cc1cccc(Br)c1[C@H](Cl)Cc1cc(Br)cc(Br)c1 2277957406 URFJWEDQYGOUIX-CQSZACIVSA-N 467.426 6.805 50 10 JKGE COc1c([C@@H](Br)c2csc(Br)c2)cc(Br)c2c1CCC2 2284513065 ASYLFIHMECYQOJ-AWEZNQCLSA-N 481.047 6.255 50 10 JKGE COc1cc(C)c(Br)c(C)c1[C@H](Br)c1cc(C)sc1Br 2285066083 QCHXDWXWMSITAT-CQSZACIVSA-N 483.063 6.691 50 10 JKGE CCn1c(C(C#N)=Cc2ccc(OCc3ccc(Br)cc3)c(OC)c2)nc2ccccc21 2293190900 VYNGQOAZYARLAT-UHFFFAOYSA-N 488.385 6.470 50 10 JKGE 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 2295148248 PMVJGSYGUZXDAR-SHYRXIFHSA-N 496.561 8.831 50 10 JKGE CC(C)Cc1ccc(-c2csc(C(C#N)=CNc3ccc(Cl)cc3C(F)(F)F)n2)cc1 2296024842 OZLJMXXPNAYOHW-UHFFFAOYSA-N 461.940 7.657 50 10 JKGE CCOc1ccc(NC(=O)C(C#N)=Cc2c(Oc3ccccc3C)nc3c(C)cccn3c2=O)cc1 2296542784 QKFBQMFYKQHNMR-UHFFFAOYSA-N 480.524 5.048 50 10 JKGE Cc1ccc(CSC(Nc2cc(Cl)ccc2C)=C(C#N)S(=O)(=O)c2ccccc2)cc1 2297349991 KDESBAOYTINSPF-UHFFFAOYSA-N 469.031 6.469 50 10 JKGE Cc1nn(C)c([C@H](Cl)c2sc(Cl)cc2I)c1Br 2300949589 NXQCKOMXCJICGK-QMMMGPOBSA-N 465.969 5.139 50 10 JKGE Clc1ccc([C@H](Br)c2sc(Cl)cc2I)c(Cl)c1 2301084858 YHELOBMCDJOYNT-JTQLQIEISA-N 482.395 6.797 50 10 JKGE Cc1scc([C@@H](Cl)c2c(Cl)sc(Br)c2Cl)c1Br 2303643849 KADJLYGCXJLSFQ-SSDOTTSWSA-N 455.451 7.278 50 10 JKGE C=CCOc1c(I)cc(C=C(C#N)C(=O)Nc2cc(C)ccc2C)cc1OC 2313518125 LAQOSUDTNDUSMT-UHFFFAOYSA-N 488.325 5.027 50 10 JKGE CN(C)C(=O)C(C#N)=Cc1cc(Cl)c(OCc2ccc(Cl)c(Cl)c2)c(Br)c1 2313567475 JXGRKYJJAKOWFQ-UHFFFAOYSA-N 488.596 5.983 50 10 JKGE COc1cc([N+](=O)[O-])ccc1-c1ccc(C=C(C#N)C(=O)Nc2cccc(Cl)c2Cl)o1 2313570875 IHOUHARRQHELJM-UHFFFAOYSA-N 458.257 5.716 50 10 JKGE Cc1cccc(NC(=O)C(C#N)=Cc2cc(Br)ccc2OCc2cccc(F)c2)c1C 2313667480 NRMSFDYIZPCNNS-UHFFFAOYSA-N 479.349 6.330 50 10 JKGE C[C@@H](NC(=O)C(C#N)=Cc1ccccc1OCc1ccc(Cl)cc1Cl)c1ccccc1 2313738412 BOYVFECPFXPBSQ-QGZVFWFLSA-N 451.353 6.357 50 10 JKGE Fc1cc(Cl)c(Br)c(Cl)c1[C@H](Cl)c1cscc1OCc1ccccc1 2313746010 VYZGNAMCPKWCQG-QGZVFWFLSA-N 480.613 7.864 50 10 JKGE Fc1cc(Cl)c(Br)c(Cl)c1[C@H](Cl)c1cc(Br)sn1 2313751409 MSPGULVRFYFSEW-SECBINFHSA-N 454.373 6.442 50 10 JKGE Brc1cc(OCc2ccccc2)ccc1[C@H](Br)C1C[C@@H]2CC[C@H](C1)O2 2314499536 DIMRADRQLCFGER-UOLNFUGQSA-N 466.213 6.422 50 10 JKGE COC(=O)c1c(NC(=O)C(C#N)=Cc2ccc(-c3ccc(Cl)cc3)o2)sc2c1CCCC2 2314572287 XRHFMNRGOYPQLZ-UHFFFAOYSA-N 466.946 5.873 50 10 JKGE Cc1cccc(C[C@@H]2SC(=C(C#N)C(=O)Nc3ccccc3C)N(c3ccc(C(C)C)cc3)C2=O)c1 2314592413 STOMBNKGBCRARQ-MHZLTWQESA-N 495.648 6.492 50 10 JKGE CCCC1([C@H](Br)c2c(Cl)cc(Br)c(F)c2Br)CC1 2315448539 BLYIZVUFFFIMCZ-GFCCVEGCSA-N 463.410 7.020 50 10 JKGE C[C@@H]1CCC[C@@H]1[C@@H](Br)c1c(Cl)cc(Br)c(F)c1Br 2315450062 XVXKJFSMGICIIL-PTZCXBDSSA-N 463.410 6.876 50 10 JKGE Clc1cc(I)c([C@H](Br)[C@H]2C[C@H]2C2CCOCC2)s1 2316596784 JFTNKLYKADFOOM-HOTUBEGUSA-N 461.590 5.505 50 10 JKGE CC1([C@H](Br)c2sc(Cl)cc2I)CC(C(F)(F)F)C1 2316600721 JQVOGPSWMLLKIN-UQEWUYKGSA-N 473.523 6.421 50 10 JKGE Cc1cc(Br)c(F)c(Br)c1[C@H](Br)CCC(C)(F)F 2317399937 LHLHRZVMJPEGGU-SSDOTTSWSA-N 452.934 6.531 50 10 JKGE Cc1ccc(CCCC(=O)NN=Cc2cn(CCOc3ccc(Cl)cc3)c3ccccc23)c(C)c1 2321254734 YRALZSUYOQBSGR-UHFFFAOYSA-N 488.031 6.464 50 10 JKGE CCCC[C@@](CC)(CBr)Cc1ccc(I)c(Br)c1 2325217078 ADPIVPOQIUCAAM-OAHLLOKOSA-N 488.045 6.578 50 10 JKGE BrC[C@H](NCc1ccc(I)c(Br)c1)C1CCCC1 2325223837 QTNKEVNEIINMQZ-AWEZNQCLSA-N 487.017 5.097 50 10 JKGE CC(C)C[C@H](CBr)COCc1ccc(I)c(Br)c1 2328549118 QTEPOXIVRWUNOX-GFCCVEGCSA-N 490.017 5.628 50 10 JKGE CC(C)(C)c1ccc(C(=O)NCC(O)=C(C#N)c2nc(-c3ccc(F)cc3F)cs2)cc1 2331286731 FARYCQWEJHEINB-UHFFFAOYSA-N 453.514 5.608 50 10 JKGE CC[C@@H](C)[C@H](C(O)=C(C#N)c1nc(-c2ccc(C)cc2C)cs1)N1C(=O)c2ccccc2C1=O 2331311004 CQWMIBFMSWFMDN-WAIKUNEKSA-N 471.582 5.931 50 10 JKGE Cc1cc(C)c(-c2csc(C(C#N)=C(O)[C@H]3CC(=O)N([C@@H](C)c4ccccc4)C3)n2)c(C)c1 2331393872 CIVQHXGATFAPFS-FPOVZHCZSA-N 457.599 6.138 50 10 JKGE Cc1ccc(C(C)(C)C)cc1-c1csc(C(C#N)=C(O)Cc2ccc(Cl)c(Cl)c2)n1 2331394742 SEBDMLVHDJEKSW-UHFFFAOYSA-N 457.426 7.758 50 10 JKGE COc1cc(C=C(C#N)c2nc(-c3cc(C)ccc3OC)cs2)ccc1OCCCc1ccccc1 2331449277 IEFLYMGTDQWUPF-UHFFFAOYSA-N 496.632 7.212 50 10 JKGE COc1ccc(OC)c(-c2csc(C(C#N)=Cc3ccc(OCCc4ccccc4)c(OC)c3)n2)c1 2331450450 LDMQHJBBVQWBHL-UHFFFAOYSA-N 498.604 6.522 50 10 JKGE Cc1ccc(C(C)(C)C)cc1-c1csc(C(C#N)=Cc2ccc(OCc3ccccc3Cl)cc2)n1 2331479020 OZIYUGMFKHTZHR-UHFFFAOYSA-N 499.079 8.713 50 10 JKGE Brc1ccc(OCc2ccccc2)c([C@H](Br)[C@@H]2C[C@@H]2c2ccccc2)c1 2336046036 ARBDETJRVRMZOX-TXTKFYIRSA-N 472.220 7.268 50 10 JKGE Brc1cc(C[C@@H]2C[C@@H]3CCCC[C@@H]3[C@@H]2Br)ccc1I 2349778622 NCYMBRVQJQUJAY-RSUWNVLCSA-N 498.040 6.186 50 10 JKGE Cl[C@H]1CCCC[C@H]1CCNCc1ccc(I)c(Br)c1 2349836178 LVZNTBYXYAWRDY-JSGCOSHPSA-N 456.593 5.331 50 10 JKGE C[C@H](CBr)[C@H]1CCCCN1Cc1cc(I)ccc1Cl 2352424569 VOFSZBXHAMZPRL-IAQYHMDHSA-N 456.593 5.330 50 10 JKGE Fc1cc(Cl)c(Br)c(Cl)c1[C@H](Cl)Cc1cccc(Br)c1 2360494793 STDOUUPSDPGESI-SECBINFHSA-N 461.383 7.180 50 10 JKGE Cn1nc(Br)c(Br)c1[C@@H](Cl)c1c(F)cc(F)c(Br)c1F 2364051852 SWIRCWRZVPOJPU-QMMMGPOBSA-N 497.334 5.453 50 10 JKGE COc1c(Br)cc(C)c([C@H](Cl)c2cn(C)c(Br)n2)c1Br 2365176233 NXISTLOWZBCEJR-LLVKDONJSA-N 487.417 5.353 50 10 JKGE Cc1cc(Br)c(F)c(Br)c1[C@H](Br)CC(C)(C)C(F)(F)F 2365187495 AWGVIHNZTAHWDZ-MRVPVSSYSA-N 484.951 7.074 50 10 JKGE Cc1cc(Br)c(F)c(Br)c1[C@H](Br)[C@@]12CC[C@@H](C1)[C@H](C)O2 2365194223 PEHPVYUSKMDANV-WDQYXFPCSA-N 471.002 6.053 50 10 JKGE Cc1cc(Br)c(F)c(Br)c1[C@@H](Br)[C@H]1CO[C@]2(C)C[C@H]1C2 2365227120 BTMQAALSZOLYBN-RKFNOURISA-N 471.002 5.910 50 10 JKGE CC(C)(C)[C@@H]1CC[C@@H](Br)[C@H](Cc2ccc(Cl)cc2I)C1 2366714540 JMSLURUTBVTTRD-UMVBOHGHSA-N 469.632 6.713 50 10 JKGE Clc1ccc(I)cc1C[C@@]1(CBr)CCCCC12CCC2 2380448943 WQABHDNUKJQCQS-QGZVFWFLSA-N 467.616 6.613 50 10 JKGE Clc1ccc(I)cc1CN1C[C@H](Br)C[C@@H]2CCCC[C@H]21 2380531785 UNOUAHZTYUJYKZ-NORZTCDRSA-N 468.604 5.473 50 10 JKGE Cc1nc([C@@H](Br)c2cc(C(C)C)c(Br)cc2C)c(Br)s1 2380939769 ODLPVEAMECEBMA-ZDUSSCGKSA-N 482.079 6.893 50 10 JKGE N#C/C(=C/c1cccc2ccccc12)C(=O)Nc1ncc(Cc2ccc(Cl)c(Cl)c2)s1 2553578 WOGHRKJDNRERTN-PDGQHHTCSA-N 464.377 6.740 50 10 JKGE COc1ccc(/C=N/NC(=O)COc2ccc(C(C)(C)C)cc2Br)c2ccccc12 12403433 JGQBIZBXIBOTNJ-VULFUBBASA-N 469.379 5.438 50 10 JKGE COc1ccc(/C(C#N)=C\c2ccc(OC(=O)C(c3ccccc3)c3ccccc3)c(OC)c2)cc1 31902232 XMRBIZGRHQHVRA-XHPQRKPJSA-N 475.544 6.505 50 10 JKGE CCc1cccc(CC)c1NC(=O)/C(C#N)=C\c1c(C)nn(-c2ccccc2Cl)c1Cl 33693918 DOJVWJFUWXCJCH-AQTBWJFISA-N 453.373 6.158 50 10 JKGE CCCCOc1ccc(/C=C(/C#N)C(=O)Nc2ncc(Cc3ccccc3Cl)s2)cc1OC 34722180 TVVGEDGVXNRNAV-UNOMPAQXSA-N 482.005 6.120 50 10 JKGE CC(C)(C)C1=CC(=CNNC(=O)c2cc(C(C)(C)C)c(O)c(C(C)(C)C)c2)C=C(C(C)(C)C)C1=O 38205375 CZADJOGTTHJFEL-UHFFFAOYSA-N 480.693 6.633 50 10 JKGE Cc1ccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)[C@H](C)Oc4ccc(C(C)C)cc4)ccc32)cc1 38649301 NKCSOJYZVCDISD-PPHZAIPVSA-N 468.553 5.710 50 10 JKGE Cc1ccc(COc2cccc([C@@H]3C(C#N)=C(N)Oc4cc(OC(=O)c5cccs5)ccc43)c2)cc1 38686654 KUZWWBIIUYVEIH-MHZLTWQESA-N 494.572 6.073 50 10 JKGE N#CC1=C(N)Oc2cc(OC(=O)c3sc4ccccc4c3Cl)ccc2[C@@H]1c1ccccc1Cl 38687591 OUPQGLSNRXVTPQ-NRFANRHFSA-N 493.371 6.645 50 10 JKGE N#C/C(=C/c1c(Oc2ccc(Cl)cc2)nc2ccccn2c1=O)C(=O)Nc1cccc(Cl)c1 39858587 DWZHGFRKHPHYCG-QINSGFPZSA-N 477.307 5.339 50 10 JKGE CCCCCOc1cccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4cccc([N+](=O)[O-])c4)ccc32)c1 40530146 MQPWEVBHLIONGS-AREMUKBSSA-N 499.523 5.601 50 10 JKGE CCc1ccccc1NC(=O)c1oc2c(c1C)/C(=N/NC(=O)c1ccc(Cl)cc1Cl)CCC2 40813684 LIBDHBRQRNVQLC-ZTKZIYFRSA-N 484.383 6.180 50 10 JKGE CCCCCCOc1ccc(/C=N/NC(=O)COc2ccc(C(C)(C)CC(C)(C)C)cc2)cc1 40912098 PXNHPEJMLNORCD-TWKHWXDSSA-N 466.666 6.889 50 10 JKGE C=CCc1cc(/C=N\NC(=O)CC[C@H](O)c2ccccc2)cc(OC)c1OCc1cccc(C)c1 58892077 LHPCHJLSIWRGFA-UAWDSHSBSA-N 472.585 5.275 50 10 JKGE CCOc1cc(/C=C(/C#N)C(=O)Nc2ccccc2C(=O)O)ccc1OCc1cccc2ccccc12 58993238 QKXHDGGETFOYAO-KQWNVCNZSA-N 492.531 6.061 50 10 JKGE CCN(CC)CCOc1ccc([C@@H](c2ccccc2)[C@H](Cl)c2ccc(O)c(OC)c2)cc1 95934559 PEXJBROMVLFYHY-KAYWLYCHSA-N 454.010 6.233 50 10 JKGE C[C@@H](NC(=O)/C(C#N)=C\c1cn(Cc2cccc(C(F)(F)F)c2)c2ccccc12)c1ccccc1 98063441 KJCKRSUBGNLGDM-MLPWYGTASA-N 473.498 6.493 50 10 JKGE CC(C)(C)[C@H](N=P(c1ccccc1)(c1ccccc1)c1ccccc1)n1nnc2ccccc21 100001057 MQDMVUCIQOYINR-MUUNZHRXSA-N 464.553 6.154 50 10 JKGE O=C1OC(=O)[C@H]2[C@H]1[C@H]1C[C@H]2[C@@H]2[C@@H](c3ccc(-c4ccccc4)cc3)c3sc(=S)[nH]c3S[C@@H]12 101202166 PHOFNUBNOBJTPG-WWUUMWGSSA-N 477.632 5.661 50 10 JKGE CCc1ccc(N2C(=O)[C@@H](Cc3ccccc3)S/C2=C(/C#N)C(=O)Nc2ccc(C)cc2)cc1 101245885 AOMNXLCJRKKAJP-IEQIIXMPSA-N 467.594 5.622 50 10 JKGE CCCOc1cccc([C@H](Br)c2cc(Br)c(C)cc2Br)c1 128798910 NAERQSFZMHWABX-KRWDZBQOSA-N 477.034 6.793 50 10 JKGE COc1cc([C@H](Br)Cc2cccc(Br)c2)c(OC)cc1Br 134301708 MHALNQRFLJZDNM-CYBMUJFWSA-N 479.006 5.908 50 10 JKGE Cc1cc([C@H](Br)c2cc(Br)ccc2Br)c(C)cc1Cl 161105550 KMQWMOHWMPPUBO-HNNXBMFYSA-N 467.426 6.966 50 10 JKGE O=[N+]([O-])c1cc(Br)c(Oc2ccc(CCl)cc2Cl)c(Br)c1 163911485 YGFIQKWTRBKXJE-UHFFFAOYSA-N 455.917 6.304 50 10 JKGE CCCCCCOc1ccc(/C=N\NC(=O)c2nc(-c3ccccc3)sc2C)cc1OC 169927323 UYQPQDHCMHYHBC-ONUIUJJFSA-N 451.592 5.850 50 10 JKGE Cc1cc(/C=C(/C#N)C(=O)Nc2c(Cl)cccc2Cl)c(C)n1-c1cccc([N+](=O)[O-])c1 212542978 SNRUWUXWFLOBRE-YBEGLDIGSA-N 455.301 5.855 50 10 JKGE CCCCCCCOc1ccc(/C=C2\C(=O)N(CCCCC)C(=O)C(C#N)=C2C)cc1OCC 214237109 UIDLMXLYBDLNCL-NKFKGCMQSA-N 466.622 6.217 50 10 JKGE C[C@@H]1CC[C@@H](CC(CBr)(CBr)c2ccc(Br)cc2)O1 232063439 OYFHHGYKTLBYHG-RISCZKNCSA-N 455.028 5.434 50 10 JKGE Clc1cc([C@@H](Br)Cc2ccncc2Cl)ccc1I 232386652 MVPZYPXQLBEIRE-JTQLQIEISA-N 456.936 5.672 50 10 JKGE COc1ccc([C@H](Br)c2ccc(Br)cc2Br)c(F)c1 234995815 SVBGVWAHTIKLLK-CQSZACIVSA-N 452.943 5.844 50 10 JKGE CCC(CC)c1ccc(OCC(=O)NN=Cc2cc([N+](=O)[O-])ccc2N(CC(C)C)CC(C)C)cc1 252631546 VLYOWPQGBPKJIA-UHFFFAOYSA-N 496.652 6.146 50 10 JKGE CCOc1cc(C=NNC(=O)COc2ccc(C(C)(C)C)cc2)ccc1OC(=O)c1ccccc1 254761193 SRUGSEITRCTKEG-UHFFFAOYSA-N 474.557 5.131 50 10 JKGE ClC[C@@H]1CN(Cc2ccccc2)C[C@@H]1c1cc(Br)ccc1I 382727519 RMLRQODJELONFS-PBHICJAKSA-N 490.610 5.508 50 10 JKGE C[C@H](Cl)c1nc2cc(I)c(F)cc2n1[C@@H]1CN(Cc2ccccc2)C[C@@H]1C 389868027 MSWXUYHAOBBNGS-PJSUUKDQSA-N 497.783 5.773 50 10 JKGE C[C@@H](Cl)c1nc2c(S(C)(=O)=O)cccc2n1CCCN(Cc1ccccc1)Cc1ccccc1 390609566 ZEXGSAYGFDDAMV-OAQYLSRUSA-N 496.076 5.832 50 10 JKGE Cc1oc(Br)cc1[C@@H](Cl)c1cc(I)cc2c1OCC2 396590480 LXBILLXJTLQYOQ-CYBMUJFWSA-N 453.501 5.218 50 10 JKGE ClCc1cccc(Br)c1OCc1cc(Cl)ccc1I 405312210 UPMIRBYUUZATRO-UHFFFAOYSA-N 471.947 6.025 50 10 JKGE CC(C)(C)[Si](C)(C)OCCc1ccc([C@H]2CCCCCN2S(=O)(=O)c2ccccc2)cc1 616625769 XNFPJUOLSORBCV-RUZDIDTESA-N 473.755 6.557 50 10 JKGE CC(C)(C)OC(=O)Nc1ccccc1[C@@H]1c2ccccc2CCN1CCO[Si](C)(C)C(C)(C)C 616678834 NBIRQWMRGMOIGY-VWLOTQADSA-N 482.741 7.003 50 10 JKGE CC[C@H](CC(F)F)CC(CBr)(CBr)c1cccc(Br)c1 687835616 RIJIAXYBOMCJKK-LLVKDONJSA-N 477.025 6.548 50 10 JKGE BrCc1cc(Br)cc(Br)c1OC[C@H]1CC2CCC1CC2 691771054 HEKRIWBUUFELBE-GCZXYKMCSA-N 467.039 6.312 50 10 JKGE Brc1csc([C@H](Br)Cc2ccc3ccccc3n2)c1Br 705452248 ARJATCCOFINYRY-LLVKDONJSA-N 476.031 6.500 50 10 JKGE Cc1cc([C@@H](Br)c2cccc(F)c2I)sc1Br 721672276 LAQQHYOHYUPXPR-JTQLQIEISA-N 489.973 6.047 50 10 JKGE FC(F)(F)Oc1cccc([C@H]2CN(Cc3ccccc3)C[C@H]2CI)c1 725408108 RAPYRKURLFWEHG-SJLPKXTDSA-N 461.265 5.236 50 10 JKGE O=C(CCCSc1nc2ccccc2s1)NN=Cc1ccc(OCc2ccc(F)cc2)o1 1084202023 NXQDDHNTRHZXEW-UHFFFAOYSA-N 469.563 5.630 50 10 JKGE Cc1cccc(COc2ccc(Br)cc2/C=C(/C#N)C(=O)Nc2cccc([N+](=O)[O-])c2)c1 1084308085 QPGMMMRNZTYLKW-ODLFYWEKSA-N 492.329 5.790 50 10 JKGE Cc1ccc(C(=O)Oc2ccc(/C=C(/C#N)C(=O)Nc3cc([N+](=O)[O-])ccc3Cl)cc2)cc1 1084311158 RJKRRSXYEQDQEN-PDGQHHTCSA-N 461.861 5.322 50 10 JKGE O=C(OCc1ccccc1)N1C[C@@H](CBr)[C@H](c2ccc(C(F)(F)F)cc2F)C1 1614626449 IGAQFDULRVUIGP-RHSMWYFYSA-N 460.265 5.592 50 10 JKGE Cc1cccc(C(=O)NN=C2CCCc3oc(C(=O)Oc4cc(C)c(Cl)c(C)c4)c(C)c32)c1 1772744020 PQMKUKMOAIELBF-UHFFFAOYSA-N 464.949 5.856 50 10 JKGE Cc1cccc(NC(=O)c2oc3c(c2C)C(=NNC(=O)Cc2coc4c(C)c(C)ccc24)CCC3)n1 1772751422 BINWROWGMWLZAB-UHFFFAOYSA-N 484.556 5.306 50 10 JKGE O=C(COc1ccc(Cl)cc1Cl)NN=C1C(=O)N(Cc2ccc(Cl)cc2)c2ccccc21 1772752332 WAQDPVBUWKJHOY-UHFFFAOYSA-N 488.758 5.093 50 10 JKGE Cc1ccc(Cn2nc(C(F)(F)F)c3c2OC(N)=C(C#N)[C@@H]3c2ccc(Cl)cc2Cl)cc1 1865684939 BBRUCEOOTZXPMG-KRWDZBQOSA-N 479.289 5.784 50 10 JKGE CCCc1nn(Cc2cccc(F)c2)c2c1[C@@H](c1c(Cl)cccc1Cl)C(C#N)=C(N)O2 1865686207 SATMQGRZQHAPRH-LJQANCHMSA-N 457.336 5.548 50 10 JKGE N#CC1=C(N)Oc2c(c(C(F)(F)F)nn2Cc2c(F)cccc2Cl)[C@H]1c1ccccc1Cl 1865686466 WHHWCCKACMPMHE-INIZCTEOSA-N 483.252 5.614 50 10 JKGE CCc1nn(-c2ccccc2Cl)c2c1[C@@H](c1c(OC)ccc3ccccc13)C(C#N)=C(N)O2 1865688160 LQEPLYKPHFREGZ-HSZRJFAPSA-N 456.933 5.468 50 10 JKGE COc1cccc([C@H]2C(C#N)=C(N)Oc3c2c(-c2ccccc2)nn3Cc2cc(C)ccc2C)c1OC 1865701493 WVMOJASSGNAAIB-VWLOTQADSA-N 492.579 5.451 50 10 JKGE CCCc1nn(CCC)c2c1[C@H](c1ccc(OCc3ccc(Cl)cc3)c(OC)c1)C(C#N)=C(N)O2 1865701531 XOHPQKVNQRDEAD-XMMPIXPASA-N 493.007 5.705 50 10 JKGE Cc1nn(Cc2ccc(Cl)c(Cl)c2)c2c1[C@H](c1ccc(Cl)c([N+](=O)[O-])c1)C(C#N)=C(N)O2 1865705919 JJOVPUNHDRAZCE-LJQANCHMSA-N 490.734 5.326 50 10 JKGE COc1ccc(-c2nn(Cc3cc(C)ccc3C)c3c2[C@H](c2ccccc2OC)C(C#N)=C(N)O3)cc1 1865709400 BMCALMZPLPTUGO-AREMUKBSSA-N 492.579 5.451 50 10 JKGE COc1ccc(-c2csc(/C(C#N)=C(\O)[C@@H](C)Oc3ccc(Cl)cc3Cl)n2)cc1C 1872746805 ZAQPTBKEZPFHMD-QIAIEURZSA-N 461.370 6.694 50 10 JKGE CC(C)COc1cccc(/C(O)=C(\C#N)c2nc(-c3ccc(Oc4ccccc4)cc3)cs2)c1 1872753807 NUDLQZKFZLGYKO-RFBIWTDZSA-N 468.578 7.587 50 10 JKGE CCOc1ccc(OCC)c(-c2csc(/C(C#N)=C(\O)COc3ccc(C)cc3C)n2)c1 1872754737 GOCTVOBJLVYULO-XDOYNYLZSA-N 450.560 6.096 50 10 JKGE COc1cc(OC)c(-c2csc(/C(C#N)=C(\O)c3ccc(C(C)(C)C)cc3)n2)cc1Cl 1872756586 QPOPISZNHWVPNH-XLNRJJMWSA-N 454.979 6.728 50 10 JKGE COc1ccc(-c2csc(/C(C#N)=C(\O)c3ccc(-c4ccccc4)cc3)n2)c(OC)c1OC 1872759048 BWZODYKLBCYDBP-FLFQWRMESA-N 470.550 6.453 50 10 JKGE CCCOc1c(Br)cc(/C=C(\C#N)c2nc(-c3ccc(F)cc3)cs2)cc1OC 1872791461 JYZYVRSEDMHVTN-CXUHLZMHSA-N 473.367 6.573 50 10 JKGE COc1ccc2ccccc2c1/C=C(\C#N)c1nc(-c2cc(Cl)cc(Cl)c2OC)cs1 1872792566 FWQWNNKXPQRCAU-OQLLNIDSSA-N 467.377 7.351 50 10 JKGE COc1ccc(/C=C(C(/O)=C(\C#N)c2nc(-c3cc(OC)ccc3OC)cs2)\c2ccccc2)cc1 1873921072 SZWZSEHMVVRCNI-GFVVYQSLSA-N 496.588 6.869 50 10 JKGE FC1(F)CC[C@H](Br)[C@@H](Cc2cc(Br)ccc2Br)CC1 1881809259 IRSQDFAZAWPMJV-RNCFNFMXSA-N 460.982 6.343 50 10 JKGE Brc1cc([C@H](Br)[C@H]2C[C@@H]2Br)c(Br)s1 1883531391 RAMZJTNSSURKQP-JJCHATEOSA-N 453.819 5.493 50 10 JKGE Brc1cc2c(cc1[C@H](Br)[C@H]1C[C@@H](Br)C1)OCCCO2 1887751321 CUCSNEXCHBNIEW-TVLCNXBWSA-N 454.984 5.220 50 10 JKGE O=S(=O)(c1cc(Cl)cc(CCl)c1Cl)N(Cc1ccccc1)Cc1cccs1 1914890751 JLAQCBCPYUZRHV-UHFFFAOYSA-N 460.835 6.185 50 10 JKGE C[C@@H](CCBr)N(Cc1ccccc1)C(=O)c1cc(Br)ccc1Cl 1915129733 CGIHZYMBHGYDDB-ZDUSSCGKSA-N 459.609 5.918 50 10 JKGE Cc1cccc(C(=O)N(Cc2ccccc2)[C@@H](CCl)C2CC2)c1I 1915159319 MZTFGXKWGICVSO-SFHVURJKSA-N 453.751 5.259 50 10 JKGE CC(C)[C@@H](CBr)N(Cc1ccccc1)C(=O)c1cc(O)cc(Br)c1 1915280576 MIIBZZZTFDBVPK-GOSISDBHSA-N 455.190 5.217 50 10 JKGE CN(Cc1cc(Cl)ccc1Br)C[C@H](Br)COCc1ccccc1 1916364563 NCOMUOKNYOJKOB-INIZCTEOSA-N 461.625 5.515 50 10 JKGE Clc1ccccc1[C@@H](Br)c1c(Br)sc(Br)c1Cl 1923047143 AFWMGTPMDRISBL-MRVPVSSYSA-N 479.846 7.064 50 10 JKGE CC1(C)C[C@]1(C)[C@H](Br)c1c(Br)sc(Br)c1Cl 1923055111 OXGGZECGTDQXLO-RDDDGLTNSA-N 451.449 6.799 50 10 JKGE Clc1c(Br)sc(Br)c1[C@H](Cl)[C@@H]1CCOc2ccccc21 1923065920 JAUJGBJPUCBWOB-LDYMZIIASA-N 457.014 6.773 50 10 JKGE Clc1c(Br)sc(Br)c1[C@@H](Br)[C@H]1CC[C@H]2C[C@H]1CO2 1923068305 PMLSUYQBQGNNEY-AZRUVXNYSA-N 479.459 6.178 50 10 JKGE C[C@@H](C1CCCCC1)[C@H](Br)c1c(Br)sc(Br)c1Cl 1923910229 VCRNTEJVUGHSFX-XVKPBYJWSA-N 479.503 7.579 50 10 JKGE Cl[C@@H](c1c(Br)sc(Br)c1Br)[C@@H]1C[C@H]2CC[C@H]1O2 1924605905 YMAVQCGEGDNFNE-MWKIOEHESA-N 465.432 5.883 50 10 JKGE Fc1ccc([C@@H](Br)c2c(Cl)sc(Br)c2Cl)cc1Br 1925584704 KSOUAZLLVCMUOR-MRVPVSSYSA-N 497.836 7.203 50 10 JKGE Clc1ccc(Cl)c([C@@H](Br)c2csc(Br)c2Br)c1 1945190385 MFWFUHRTBVFVDP-SECBINFHSA-N 479.846 7.064 50 10 JKGE Cc1cc(Br)sc1[C@H](Br)c1c(Cl)cccc1Br 2003561506 VEQYVIRWPHMNNV-LLVKDONJSA-N 459.428 6.719 50 10 JKGE FC(F)([C@@H]1CCOC1)[C@H](Br)c1cc(Br)sc1Br 2012977834 QSOJIZJCOMCYPC-SVGQVSJJSA-N 454.956 5.381 50 10 JKGE Clc1c(Br)sc(Br)c1[C@@H](Br)[C@H]1[C@H]2[C@H]3C[C@@H]1C[C@H]32 2016553129 RCRKZVNJFWGRKM-OWTNSLFHSA-N 461.444 6.265 50 10 JKGE Fc1cc(Br)cc(Oc2ccc(I)cc2)c1CBr 2051130972 COPFCEPHBARXHI-UHFFFAOYSA-N 485.916 5.880 50 10 JKGE COC(=O)c1ccc(-n2c(C)cc(C=C(C#N)C(=O)c3cc(C)n(C4CCCC4)c3C)c2C)cc1 2053611618 POQYDNNXYWDJQV-UHFFFAOYSA-N 469.585 6.204 50 10 JKGE COC(=O)C1=CO[C@H](O[Si](C)(C)C(C)(C)C)[C@H]2C(CO[Si](C)(C)C(C)(C)C)=CC[C@@H]12 2053693230 HAGFWYAXZUANKA-HFSMHLIXSA-N 454.756 6.006 50 10 JKGE FC(F)(C1CCCCC1)[C@@H](Br)c1cc(Br)sc1Br 2065548493 KHVJKXWOJZLWSB-JTQLQIEISA-N 467.011 6.925 50 10 JKGE C[C@@H]1O[C@@]2([C@H](Br)c3c(Br)sc(Br)c3Cl)CC[C@H]1C2 2078505353 LBHMPQFVFCFXLR-FALYWKPKSA-N 479.459 6.320 50 10 JKGE Cc1cc([C@H](Cl)c2sc(C)c(Br)c2C)ccc1I 2086019622 LUTMVACDVYLVDP-ZDUSSCGKSA-N 455.586 6.369 50 10 JKGE Clc1ccc(Br)cc1[C@@H](Br)c1cc(C2CC2)c(Br)s1 2094672925 FIAWKWJXHVOHQS-CYBMUJFWSA-N 485.466 7.288 50 10 JKGE CC(C)[C@H](C)N(Cc1ccccc1)S(=O)(=O)c1cc(Br)cc(CCl)c1F 2095908724 ODECQLWYNAJROW-AWEZNQCLSA-N 462.812 5.562 50 10 JKGE Cc1csc([C@@H](Br)c2cc(Br)c3c(c2)CCO3)c1Br 2100809376 RTHKRCRPIVDXRL-LBPRGKRZSA-N 467.020 6.001 50 10 JKGE ClCCc1nc2cc(Br)c(Cl)cc2n1[C@@H]1CC[C@H]1OCc1ccccc1 2103807991 QOPQVZNJCUGDLH-IEBWSBKVSA-N 454.195 6.154 50 10 JKGE FC(F)c1cccc([C@@H](Br)c2cc(Br)ccc2Br)c1 2115966680 IXWSPWYTXGKZCA-CYBMUJFWSA-N 454.934 6.634 50 10 JKGE CC1([C@H](Br)c2cc(Br)ccc2Br)CCCCCCC1 2116008959 NSBNDSHPQSDOMZ-OAHLLOKOSA-N 453.056 7.398 50 10 JKGE O=S(=O)(c1ccc(F)c(CBr)c1)N(Cc1ccccc1)Cc1cccs1 2123200298 GEEGKLKKOGDYCV-UHFFFAOYSA-N 454.386 5.173 50 10 JKGE CC[C@]1([C@H](Br)c2c(C)c(Br)cc(C)c2Br)CC1(F)F 2136374156 JOETVZYSDAITDC-CHWSQXEVSA-N 460.982 6.700 50 10 JKGE Cc1c(Br)ccc([C@H](Br)C2CC(CC3CC3)C2)c1Br 2138870926 LLDUWQRVYMJUMW-ZEPSKSRBSA-N 451.040 6.782 50 10 JKGE Brc1ccc([C@H](Br)C2C[C@H]3COC[C@H](C2)C3)c(Br)c1 2141802127 WJNPKEHCXNHMQG-AMJWSMQMSA-N 453.012 5.710 50 10 JKGE Cc1sc(Br)c([C@H](Br)c2csc3c(Br)cccc23)c1C 2157250966 HWFONSOYPANBHG-CYBMUJFWSA-N 495.099 7.589 50 10 JKGE CC(C)(C)OC(=O)N1Cc2sc(NC(=O)[C@@H](Br)C3CCCC3)nc2C1(C)C 2167034535 XEINEANCGBFBBV-ZDUSSCGKSA-N 458.422 5.021 50 10 JKGE CN(C(=O)c1cc(Br)ccc1I)[C@H]1CCCCC[C@H]1Cl 2172548566 VIKFNEXJIJYNEJ-OCCSQVGLSA-N 470.576 5.066 50 10 JKGE CC(C)CNCc1cc(Br)c(OC[C@H]2C[C@@H]2Br)c(Br)c1 2196908236 WMIOKINPFZAAPU-NEPJUHHUSA-N 470.043 5.119 50 10 JKGE COc1cc(C)c([C@@H](Br)c2cc(C)cc(Br)c2)cc1Br 2198736289 CCDZNVRGHIGINY-INIZCTEOSA-N 463.007 6.321 50 10 JKGE Cc1cc(Br)c(C)c([C@@H](Br)CC(F)(F)C(F)(F)F)c1Br 2201063716 URWALBSNXKLDGT-QMMMGPOBSA-N 488.914 6.852 50 10 JKGE Cc1cc(Br)c(C)c([C@@H](Br)[C@@H]2Cc3ccccc32)c1Br 2201070890 DCMTWOTXLNPMLO-DYVFJYSZSA-N 459.019 6.604 50 10 JKGE COc1c(Cl)cc(Br)cc1[C@@H](Br)c1cc(Br)ccc1F 2202997648 AVCQYQRAWWVNMV-ZDUSSCGKSA-N 487.388 6.497 50 10 JKGE CCN(C[C@@](C)(CI)O[C@H]1CCCC(F)(F)C1)C(=O)OC(C)(C)C 2216582888 OENLFIMZVVIMKK-XJKSGUPXSA-N 461.331 5.032 50 10 JKGE Cc1nn(C)c([C@H](Br)c2sc(Br)cc2Br)c1Cl 2217405320 KVAUIJYXOMKMND-ZETCQYMHSA-N 463.420 5.453 50 10 JKGE CC(C)[C@H](CBr)N(Cc1ccccc1)S(=O)(=O)c1ccc(F)c(Br)c1 2224020414 VBTGUYXRIDHTCV-SFHVURJKSA-N 493.236 5.199 50 10 JKGE Cc1cc(Br)c([C@H](Cl)c2scc(Br)c2C)c(C)c1Br 2227361595 FIJDGIMWMOOAOS-ZDUSSCGKSA-N 487.482 7.289 50 10 JKGE Cc1ccc(I)c([C@H](Br)c2cc(F)c(F)cc2Cl)c1 2232223372 RKJSDLPMFLOARN-CQSZACIVSA-N 457.483 6.016 50 10 JKGE COc1c(C(C)C)cc(Br)cc1[C@H](Br)c1csnc1Br 2233162363 NDGGRVNSFDIVMU-LBPRGKRZSA-N 484.051 6.284 50 10 JKGE Fc1cc(Br)c(Br)cc1[C@@H](Br)c1csc(C(F)(F)F)c1 2233991982 JLBNMYUMYHZUAT-NSHDSACASA-N 496.943 6.915 50 10 JKGE COc1cc([C@@H](Br)c2scc(Br)c2C)c(OC)cc1Br 2234514142 CLRFXHDLFUJHJP-CYBMUJFWSA-N 485.035 6.083 50 10 JKGE Cc1sc(Br)cc1[C@@H](Br)c1cc(Br)cc(C(C)C)c1 2265953586 GOHXHQNHMHPSQG-HNNXBMFYSA-N 467.064 7.189 50 10 JKGE Fc1ccc([C@H](Br)c2cccc(Cl)c2Br)c(F)c1Br 2267974129 SUXRUTBROHGRFB-SNVBAGLBSA-N 475.352 6.628 50 10 JKGE Cc1scc([C@@H](Br)c2c(F)cc(Br)c(F)c2Br)c1C 2272733426 MEUTUEYKLIJVRU-LLVKDONJSA-N 474.990 6.652 50 10 JKGE CCCc1nc([C@@H](Br)Cc2cc(Br)cc(Br)c2)cs1 2277953322 PZQFUXPFKYCOAK-LBPRGKRZSA-N 468.052 6.299 50 10 JKGE Clc1ccc(I)c(CN2C[C@H](Br)C[C@H]3CCCC[C@@H]32)c1 2279525493 XAANSFPDGILPSI-KFNAQCHYSA-N 468.604 5.473 50 10 JKGE CC(C)(C)OC(=O)NCc1c(Cl)cccc1NC(=O)c1ccc(CBr)cc1 2283939158 BQKRTXDQAUFHIS-UHFFFAOYSA-N 453.764 5.512 50 10 JKGE FC1(F)CC[C@]2(C1)[C@@H](Br)C[C@@H]2Oc1c(Br)cccc1Br 2295113578 BXLPMJCNUGNMOU-GVXVVHGQSA-N 474.965 5.932 50 10 JKGE COc1c(Br)cc(Cl)cc1[C@@H](Br)c1c(C)nn(C)c1Br 2295283491 OICZOUFBNLLCDC-LLVKDONJSA-N 487.417 5.400 50 10 JKGE N#CC(=CNc1ccc2c[nH]nc2c1)c1nc(-c2cc3cc(Br)ccc3oc2=O)cs1 2295948629 YONVDCUCVSFQGW-UHFFFAOYSA-N 490.342 5.532 50 10 JKGE COc1cc(C=C(C#N)c2nc3ccc(C)cc3[nH]2)ccc1Oc1ccc([N+](=O)[O-])cc1C(F)(F)F 2297298346 ADPLQZHFYWYHBE-UHFFFAOYSA-N 494.429 6.663 50 10 JKGE Cc1cccc(CSC(Nc2ccc(C)c(Cl)c2)=C(C#N)S(=O)(=O)c2ccccc2)c1 2297350094 VELRSEJQKFEFTJ-UHFFFAOYSA-N 469.031 6.469 50 10 JKGE COc1ccc(C=C(C#N)C(=O)Nc2ccc([N+](=O)[O-])cc2C(F)(F)F)cc1OCc1ccccc1 2297551373 GCJAVUONDDEKCL-UHFFFAOYSA-N 497.429 5.747 50 10 JKGE COc1c(Br)cc(Br)cc1C=C(C#N)C(=O)Nc1ccccc1C 2297631179 BBCCFBLZYYUJJD-UHFFFAOYSA-N 450.130 5.074 50 10 JKGE CCCc1sc(Br)cc1[C@H](Br)c1sccc1Br 2300645066 HNBRFFZMQZDALX-NSHDSACASA-N 459.066 6.771 50 10 JKGE C[C@]1([C@@H](Br)c2sc(Cl)cc2I)C[C@H]1C(F)(F)F 2300952981 CXWWNZZOKJHQJH-YRZRMSQOSA-N 459.496 6.031 50 10 JKGE O=C(N[C@H](CCBr)COCc1ccccc1)c1cc(Cl)ccc1Br 2303537662 GQLGEBICGPPKAP-OAHLLOKOSA-N 475.608 5.203 50 10 JKGE CC(C)C[C@@H](CBr)COc1cc(Br)cc(I)c1 2308067163 QKBHZTQZQOGLHS-JTQLQIEISA-N 475.990 5.490 50 10 JKGE CCOc1cc(Br)c(C=C(C#N)C(=O)Nc2ccc(Cl)c(Cl)c2)cc1OCC 2313631208 MDADUHAORBVWLY-UHFFFAOYSA-N 484.177 6.099 50 10 JKGE CCOc1cc(C=C(C#N)C(=O)Nc2ccc(C)cc2)ccc1OC(=O)c1ccc(OC)cc1 2313631248 MTARZCYMYTXLEU-UHFFFAOYSA-N 456.498 5.167 50 10 JKGE N#CC(=Cc1ccc(-c2cccc(C(F)(F)F)c2)o1)c1nc(-c2cccc3ccccc23)cs1 2314457020 RTSARTRCMBHIBD-UHFFFAOYSA-N 472.491 8.306 50 10 JKGE N#CC(=Cc1ccc(-c2cccc(C(F)(F)F)c2)o1)C(=O)Nc1ccc([N+](=O)[O-])cc1Cl 2314488311 NIHPXYJPXBUQME-UHFFFAOYSA-N 461.783 6.073 50 10 JKGE COc1ccc(CN2C(=O)C(=Cc3ccc(OCc4ccccc4)c(OC)c3)C(C)=C(C#N)C2=O)cc1 2314617070 QFAKYOMBKBZZEH-UHFFFAOYSA-N 494.547 5.075 50 10 JKGE Ic1cccc(CO[C@@H]2CCCCCC[C@H]2I)c1 2319029843 KODKSSWYVASANN-HUUCEWRRSA-N 470.132 5.334 50 10 JKGE Cc1ccc(NC(=O)C(C#N)=CNc2ccc(I)cc2C)cc1Cl 2324281152 PFVVIGWLKSBMQX-UHFFFAOYSA-N 451.695 5.020 50 10 JKGE Cc1cc(Cl)c([C@H](Br)c2cc(Br)sc2Br)c(Cl)c1 2327902119 AAXNGGIYGGEVIH-LLVKDONJSA-N 493.873 7.373 50 10 JKGE N#CC(=C(O)C=Cc1ccc(Cl)c(Cl)c1)c1nc(-c2ccc(-c3ccccc3)cc2)cs1 2331231800 DQDKZHNVEUFYIU-UHFFFAOYSA-N 475.400 8.290 50 10 JKGE N#CC(=C(O)[C@@H]1CC(=O)N(Cc2ccccc2)C1)c1nc(-c2ccc(Cl)c(Cl)c2)cs1 2331311759 VEXLGECXIZGGOI-MRXNPFEDSA-N 470.381 5.958 50 10 JKGE CCCc1ccc(OCC(O)=C(C#N)c2nc(-c3cc(Cl)cc(C)c3OC)cs2)cc1 2331392336 SGDJHMLHARMWOL-UHFFFAOYSA-N 454.979 6.605 50 10 JKGE CCc1ccc(OCCCC(O)=C(C#N)c2nc(-c3cc(Cl)ccc3OC)cs2)cc1 2331411095 NIGLQJKGOYEAIS-UHFFFAOYSA-N 454.979 6.686 50 10 JKGE COc1c(Br)cc(C)c([C@H](Br)C[C@@H]2CCOC2)c1Br 2339654545 TTZDYPNLRZZECD-VHSXEESVSA-N 457.000 5.391 50 10 JKGE C[C@@H]1CC2CC([C@H](Br)Cc3cc(Br)cc(Br)c3)(C2)O1 2342245915 OPBGKQJAWHQNPX-VKQDWQKXSA-N 453.012 5.475 50 10 JKGE CCc1ccc(OC)c([C@H](Cl)c2cc(I)ccc2Br)c1 2361927101 SVAZFMQYMSZIOD-MRXNPFEDSA-N 465.556 5.953 50 10 JKGE Fc1c(Br)cc(Cl)c([C@H](Cl)C[C@H]2C[C@H]2C(F)(F)F)c1Br 2362222425 IGKVUISRDUMNQT-WYDQCIBASA-N 458.902 6.873 50 10 JKGE COc1c(Br)cc(C)c([C@H](Br)[C@]23CCC[C@H]2CC3)c1Br 2365175119 DCWYTPSNUSPWMM-HNHYXYPQSA-N 467.039 6.545 50 10 JKGE COc1c(Br)cc(C)c([C@@H](Br)[C@@H]2CC23CCCC3)c1Br 2365190512 FYCZTKJUOFJEDP-GWCFXTLKSA-N 467.039 6.545 50 10 JKGE COc1c(Br)cc(C)c([C@@H](Br)CC[C@@H]2CCOC2)c1Br 2365237164 RRBKCJZWBVRULI-MNOVXSKESA-N 471.027 5.781 50 10 JKGE Cc1ccc(C[C@H](CCl)Cc2ccc(I)c(Br)c2)cc1 2377331736 XYQOIYJGZSNWEN-HNNXBMFYSA-N 463.584 6.002 50 10 JKGE O=C(NC1CCCCC1)[C@H](c1ccc(Cl)cc1)N(C(=O)CCl)c1ccc(Cl)cc1 3035258 WFEPVDNQHIIAEX-NRFANRHFSA-N 453.797 5.755 50 10 JKGE CC(C)(C)CC(C)(C)c1ccc(OCC(=O)NNC(=O)c2ccc(Br)cc2)cc1 3103898 XSDVHLCLXQLNKS-UHFFFAOYSA-N 461.400 5.003 50 10 JKGE COc1ccc(CCC(=O)Oc2ccc(/C=C(/C#N)c3cccc(Cl)c3)cc2OC)cc1OC 31902395 NBIQZHAKDKHPDJ-BKUYFWCQSA-N 477.944 5.968 50 10 JKGE C[C@@H](Oc1ccc(F)cc1)C(=O)Oc1ccc2c(c1)OC(N)=C(C#N)[C@@H]2c1ccc(Cl)c(Cl)c1 38655917 RYKCTKMTXWJYRF-JCQPUDPBSA-N 499.325 5.724 50 10 JKGE CCCOc1ccccc1[C@@H]1C(C#N)=C(N)Oc2cc(OC(=O)COc3ccc(C)c(C)c3)ccc21 38681707 FKSBSBAVRWZESV-NDEPHWFRSA-N 484.552 5.295 50 10 JKGE CCCCOc1ccccc1[C@H]1C(C#N)=C(N)Oc2cc(OC(=O)c3ccc([N+](=O)[O-])cc3)ccc21 38682781 KKZKRJIYHCFSMJ-RUZDIDTESA-N 485.496 5.211 50 10 JKGE C=CCOc1ccc(C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@@H]3c2cccc(OCCCC)c2)cc1 38685162 DDQZOGGJHLHDAV-MUUNZHRXSA-N 496.563 5.868 50 10 JKGE CCCCOc1c(Cl)cc(C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@@H]3c2ccco2)cc1Cl 38688495 CGCCEIAFOJNSNA-JOCHJYFZSA-N 499.350 6.203 50 10 JKGE CCOc1cc(/C=N\NC(=O)c2cc(-c3ccc(Br)cc3)nc3ccccc23)ccc1O 39724866 YXEBKJINUWCLGE-DICXZTSXSA-N 490.357 5.533 50 10 JKGE Cc1cccc(NC(=O)c2oc3c(c2C)/C(=N/NC(=O)Cc2coc4c(C)c(C)ccc24)CCC3)c1 40826726 WHFUNYMDZXSHPD-UQRQXUALSA-N 483.568 5.911 50 10 JKGE O=C(CSCc1ccc(Cl)cc1)N/N=C/c1ccc(Sc2ccc(Cl)cc2)o1 59517314 FYULSFMKCMHHCT-FOKLQQMPSA-N 451.400 6.121 50 10 JKGE COc1cc(Cl)ccc1[C@H](Br)c1cc(Br)ccc1Br 109844487 MTRJENBRTPKDJO-AWEZNQCLSA-N 469.398 6.358 50 10 JKGE CC(C)c1ccc([C@H](Br)c2ccc(I)cc2)c(C(C)C)c1 109857004 XMMFLZCULYSRKL-LJQANCHMSA-N 457.193 7.022 50 10 JKGE COc1cc(Cl)ccc1[C@H](Br)c1cc(Br)c(C)cc1Br 128789008 PFVXSIZKJWQBSJ-HNNXBMFYSA-N 483.425 6.666 50 10 JKGE COc1c(Br)cc(Cl)cc1[C@@H](Br)c1ccc(Br)c(C)c1 137891366 VCEQMWCJTKVXJC-AWEZNQCLSA-N 483.425 6.666 50 10 JKGE Fc1cc2nc(CCl)n(-c3cc(Cl)ccc3Br)c2cc1Br 158677292 RMZZZAWEROEEHS-UHFFFAOYSA-N 452.936 6.082 50 10 JKGE COc1cc(F)c([C@H](Br)c2cc(Br)ccc2Br)c(F)c1 161074981 WPGCQGHSVFPLDY-CQSZACIVSA-N 470.933 5.983 50 10 JKGE CCCCCCCCCOc1ccc(/C=N\NC(=O)c2ccc(C)cc2)cc1Br 169885766 GFKPPGUTJAGOHK-ITYLOYPMSA-N 459.428 6.651 50 10 JKGE COc1cc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)/C=C\c4ccccc4)ccc32)ccc1OCC(C)C 205657174 DDVSFXUFENDKDR-MTGJJOFUSA-N 496.563 5.567 50 10 JKGE CC1=C(C#N)C(=O)N(CC(C)C)C(=O)/C1=C\c1cn(-c2ccccc2)nc1-c1c(C)cc(C)cc1C 214270596 KSQNRWHNXYBXBB-QFEZKATASA-N 478.596 5.713 50 10 JKGE COCCOc1ccc([C@@H](Br)c2cccc(Br)c2)cc1Br 229015466 KNLWCNHMWNTNSI-INIZCTEOSA-N 479.006 5.721 50 10 JKGE COc1cc(F)c([C@H](Cl)c2cc(Br)ccc2I)c(F)c1 235004020 QMDUSXIJALKUSX-CQSZACIVSA-N 473.482 5.669 50 10 JKGE Cc1cc(C)c([C@H](Br)c2cc(I)ccc2Br)s1 235878607 POSBAYITJULBEP-GFCCVEGCSA-N 486.010 6.216 50 10 JKGE Fc1ccc([C@@H](Cl)c2cc(Br)c(Cl)s2)c(I)c1 236207261 KQIVVSTXJPWHKL-SNVBAGLBSA-N 465.940 6.236 50 10 JKGE CC(=NNC(=O)[C@@H](C)SCc1ccccc1)c1cccc(NC(=O)c2cccc(Cl)c2)c1 252626935 RIPRBVCUQPNQHC-GOSISDBHSA-N 466.006 5.754 50 10 JKGE COc1ccc(C(=O)Oc2ccc3ccccc3c2C=NNC(=O)c2cc3ccccc3cc2O)cc1 254735172 WFQWBXNZHAWYNG-UHFFFAOYSA-N 490.515 5.690 50 10 JKGE O=C(NN=Cc1ccc2c3c(cccc13)CC2)c1ccc([C@@H]2SCC(=O)N2Cc2ccccc2)cc1 263629343 WNNSGHSGDFDFKT-PMERELPUSA-N 491.616 5.477 50 10 JKGE CC1(C)[C@@H](Cl)C[C@H]1Oc1c(I)cc(Cl)cc1I 310443187 XKDIFACOHUOQLC-VHSXEESVSA-N 496.941 5.334 50 10 JKGE COc1cc(C)c(Br)cc1[C@@H](Br)c1cccc(OCc2ccccc2)c1 312092392 CMGIRTHPRZKCEP-QFIPXVFZSA-N 476.208 6.829 50 10 JKGE Cc1cc(C)c([C@H](Br)c2csc(Br)c2)c(C)c1Br 380638956 RYSOBNAIUAWUKB-CQSZACIVSA-N 453.037 6.683 50 10 JKGE ClCc1cc(Br)cc(Br)c1OCc1ccc(Cl)cc1Cl 383555469 IJSTXFHNENESIV-UHFFFAOYSA-N 459.392 6.836 50 10 JKGE CC(C)(C)OC(=O)Nc1cccc([C@H]2CCN(CCO[Si](C)(C)C(C)(C)C)c3ccccc32)c1 616591112 XQSJOUAYCNKZLY-HSZRJFAPSA-N 482.741 7.397 50 10 JKGE CC(C)(C)[Si](C)(C)OCCc1ccc([C@@H]2CCCN(CCO[Si](C)(C)C(C)(C)C)CC2)cc1 616626857 FXTCNVKWXPBPAB-RUZDIDTESA-N 491.909 7.842 50 10 JKGE CN(C(=O)c1cc(Br)ccc1Br)[C@@H](CBr)C(C)(C)C 689260651 NKVRRIOMCFNSSH-LBPRGKRZSA-N 456.016 5.093 50 10 JKGE C[C@@H]1CCN(Cc2ccccc2)C[C@@H]1n1c(CCl)nc2cc(F)c(Br)cc21 716302342 TZPPDMWMIRLKPS-VLIAUNLRSA-N 450.783 5.760 50 10 JKGE Cc1cc([C@H](Br)c2ccc(I)c(Br)c2)c(C)s1 721588373 OMVPZAMJJDWQCH-CYBMUJFWSA-N 486.010 6.216 50 10 JKGE CCO[C@@H]1CCC[C@@H](O[C@H](CI)c2ccccc2Br)C1 721644302 WZDIBTGZNFQVDA-XJKCOSOUSA-N 453.158 5.290 50 10 JKGE Cc1ccc(-n2c(C)c(Br)c(C=NNC(=O)[C@@H](C)Sc3ccccc3)c2C)cc1 1083945459 LBVKNCNEXNNIFQ-GOSISDBHSA-N 470.436 5.796 50 10 JKGE CCC(=NNC(=O)CSc1nnc(CCc2ccccc2)n1-c1ccccc1)c1ccccc1 1084320954 GJSRUJCUQDPNLE-UHFFFAOYSA-N 469.614 5.075 50 10 JKGE O=C(NN=C1C(=O)N(Cc2c(Cl)cccc2Cl)c2ccccc21)c1ccc(Cl)cc1Cl 1084437041 MARAQBTUGWPEBA-UHFFFAOYSA-N 493.177 5.981 50 10 JKGE O=C(CSC1c2ccccc2-c2ccccc21)NN=Cc1cc2c(cc1Br)OCO2 1084489187 YWJAHNDBIGJKGT-UHFFFAOYSA-N 481.371 5.131 50 10 JKGE Cc1cc(Br)ccc1N[C@@H](c1cccs1)P(=O)(c1ccccc1)c1ccccc1 1088693592 MFDMJZKTZORRSB-XMMPIXPASA-N 482.383 6.944 50 10 JKGE 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 1565534849 KUJXAJMABXMSCW-HNXPSVAJSA-N 460.775 7.170 50 10 JKGE CCN(CC)c1ccc([C@H]2CN(C(=O)OCc3ccccc3)C[C@H]2CI)cc1 1614704798 XDCMJHXIPCNOMJ-IFMALSPDSA-N 492.401 5.320 50 10 JKGE ClCc1cc(-c2ccc(I)cc2)nn1-c1ccc(Cl)cc1Cl 1614817153 HZEFASLMOXCIKK-UHFFFAOYSA-N 463.533 6.190 50 10 JKGE N#CSc1ccc(NC(=O)Oc2ccc(CNC(=O)CCC(=O)c3ccc(Cl)cc3)cc2)cc1 1858907514 PNKQVLNFCZHOLX-UHFFFAOYSA-N 493.972 5.803 50 10 JKGE CCCCOc1ccc([C@@H]2C(C#N)=C(N)Oc3c2c(-c2ccccc2)nn3CC(C)C)cc1OCC 1865687078 JBCRJPFZINQGHI-RUZDIDTESA-N 486.616 6.002 50 10 JKGE CCCCOc1ccc([C@H]2C(C#N)=C(N)Oc3c2c(C(F)(F)F)nn3CC(C)C)cc1OCC 1865687656 XESLHPBZTIZEPA-IBGZPJMESA-N 478.515 5.354 50 10 JKGE N#CC1=C(N)Oc2c(c(-c3ccccc3)nn2-c2ccccn2)[C@@H]1c1ccc(OCc2ccccc2)cc1 1865689682 CJNUFNMIEIYXHS-HHHXNRCGSA-N 497.558 5.731 50 10 JKGE CCn1nc(-c2ccc(OC)cc2)c2c1OC(N)=C(C#N)[C@@H]2c1ccc(OCc2ccccc2)cc1 1865689925 GQDQKYARDVGPHH-VWLOTQADSA-N 478.552 5.376 50 10 JKGE CCCOc1c(OC)cccc1[C@@H]1C(C#N)=C(N)Oc2c1c(CC)nn2-c1cccc(Cl)c1 1865692488 GKVSISQOGYPENG-OAQYLSRUSA-N 464.953 5.104 50 10 JKGE CCOc1cc([C@H]2C(C#N)=C(N)Oc3c2c(C)nn3-c2ccc(C)cc2)ccc1OCc1ccccc1 1865692991 HCXPSWXWNJEPDL-NDEPHWFRSA-N 492.579 5.685 50 10 JKGE CCOc1ccc([C@H]2C(C#N)=C(N)Oc3c2c(C(F)(F)F)nn3-c2cccc(Cl)c2)cc1 1865694694 ZJGXJIXUXFPWRS-KRWDZBQOSA-N 460.843 5.161 50 10 JKGE CCCOc1ccccc1[C@@H]1C(C#N)=C(N)Oc2c1c(-c1ccccc1)nn2Cc1ccc(Cl)cc1 1865703244 RAHRBMIWOISBFJ-RUZDIDTESA-N 496.998 6.259 50 10 JKGE N#CC1=C(N)Oc2c(c(C(F)(F)F)nn2-c2cccc(Cl)c2)[C@H]1c1ccc(C(F)(F)F)cc1 1865710934 LZENCGYKDSTXJS-HNNXBMFYSA-N 484.787 5.781 50 10 JKGE Cc1nc(-c2ccc(Cl)cc2Cl)ccc1C(=O)N/N=C\c1ccc(Cl)cc1Cl 1865760805 PNQZMKOLMNQGOE-MRUKODCESA-N 453.156 6.435 50 10 JKGE CCc1cccc(C)c1N1C[C@@H](/C(O)=C(\C#N)c2nc(-c3cccc(OC)c3)cs2)CC1=O 1872744111 HDQBEXNSJSYQFT-GYGWLHPRSA-N 459.571 5.535 50 10 JKGE CC(C)(C)c1ccc(/C=C/C(O)=C(\C#N)c2nc(-c3ccc(Cl)cc3Cl)cs2)cc1 1872744801 IXABATSTEGHUEJ-XLKIQOJESA-N 455.410 7.920 50 10 JKGE CCCOc1ccc(-c2csc(/C(C#N)=C(\O)C(c3ccccc3)c3ccccc3)n2)cc1 1872749151 DDUDYEQGIOJMGJ-PNHLSOANSA-N 452.579 7.224 50 10 JKGE CCOc1ccc(-c2csc(/C(C#N)=C(\O)c3ccc(N(C)C)c([N+](=O)[O-])c3)n2)c(OCC)c1 1872755587 VGFYUCBIANJVHA-NKFKGCMQSA-N 480.546 5.532 50 10 JKGE COc1ccc(-c2csc(/C(C#N)=C(\O)COc3cc(C)c(Cl)c(C)c3)n2)c(OC)c1OC 1872759323 KIHMGIWIESRHJW-ZPHPHTNESA-N 486.977 5.978 50 10 JKGE COc1cc(/C=C(\C#N)c2nc(-c3ccccc3OC)cs2)ccc1OCc1ccc(C)cc1 1872784719 XSQDZTSGFJFEDF-HYARGMPZSA-N 468.578 6.779 50 10 JKGE CCCCCCOc1ccc(/C=C(\C#N)c2nc(-c3ccc(OC)c4ccccc34)cs2)cc1OC 1872795119 OHDBYUZPURKFSK-OQKWZONESA-N 498.648 8.004 50 10 JKGE COC[C@@H]1C[C@H]1[C@H](Cl)c1c(Br)sc(Br)c1Br 1896490198 DVDLHZYKELOXPW-UUEMRFSQSA-N 453.421 5.598 50 10 JKGE C[C@@]12CC[C@@](CBr)(C1)N(C(=O)c1csc(Br)c1Br)C2 1911529236 ZRVFFGZPYANDTI-OLZOCXBDSA-N 472.040 5.053 50 10 JKGE O=C(c1cc(Br)ccc1Br)N(Cc1ccccc1)[C@@H](CCl)C1CC1 1915159560 PUYCQIQQZLLLLI-SFHVURJKSA-N 471.620 5.871 50 10 JKGE O=S(=O)(c1cccc(C(F)(F)F)c1)N(Cc1ccccc1)[C@H](CBr)C1CC1 1915171718 GSJHTKBBSJIXNY-GOSISDBHSA-N 462.331 5.070 50 10 JKGE CN(C[C@@H](Cl)COCc1ccccc1)C(=O)c1cc(Br)c(Br)s1 1916383953 TZAQFVSNVZQJOT-GFCCVEGCSA-N 481.637 5.169 50 10 JKGE COc1ccc(C[C@H](Br)c2sc(Br)c(C)c2Br)cc1 1922899275 BCAKQORVZKRFPC-NSHDSACASA-N 469.036 6.269 50 10 JKGE Clc1c(Br)sc(Br)c1[C@H](Br)C1[C@H]2[C@H]3CC[C@@H](C3)[C@H]12 1923037800 FSXPPIFQSGKPDZ-RMUKFBLJSA-N 475.471 6.655 50 10 JKGE CC1(C)C([C@H](Cl)c2c(Br)sc(Br)c2Br)C1(C)C 1924582847 BSDUIIHWFPBWTA-SSDOTTSWSA-N 465.476 6.998 50 10 JKGE Cl[C@H](c1c(Br)sc(Br)c1Br)[C@@H]1CC[C@@H]2C[C@@H]2C1 1924605367 PZPUOCMOBXXHGB-IBNKKVAHSA-N 463.460 6.752 50 10 JKGE CC1(NC(=O)c2cc(Br)c(Br)s2)CCC(Br)CC1 1924709870 ILSJCQULRYVXHA-UHFFFAOYSA-N 460.029 5.099 50 10 JKGE Cc1sc([C@H](Br)c2cc(Br)c(Cl)s2)cc1Br 1981406356 CLECPXJJFYXALQ-VIFPVBQESA-N 465.457 6.781 50 10 JKGE Cc1sc([C@H](Br)c2cc(I)ccc2F)cc1Br 2003649529 LARGLVTYZWPIOJ-GFCCVEGCSA-N 489.973 6.047 50 10 JKGE COc1cc(C(=O)N(Cc2ccccc2)[C@@H](C)CCBr)ccc1Br 2017222853 WVXNIMGHDRUAMC-AWEZNQCLSA-N 455.190 5.274 50 10 JKGE Clc1ccc(C[C@@H](Br)c2cccc(Br)c2Br)cc1 2031486268 WLYCLYQKGRGULA-CYBMUJFWSA-N 453.399 6.544 50 10 JKGE Cl[C@@H](c1cc(Br)c(Br)s1)c1cc(C2CC2)c(Br)s1 2033632415 ILOIVTPHJOXQLJ-SNVBAGLBSA-N 491.495 7.303 50 10 JKGE CN(c1ccc(Br)cc1CBr)[C@@H]1CC(C)(C)[C@H]1OCc1ccccc1 2038794282 JVLOOVUQAVCABE-UXHICEINSA-N 467.245 6.164 50 10 JKGE COc1cc(C=C(C#N)C(=O)c2c(C)[nH]c3ccccc23)ccc1OCc1ccc(Cl)cc1 2042446158 WAXYAPKOHXMBSL-UHFFFAOYSA-N 456.929 6.507 50 10 JKGE CCc1nc([C@@H](Cl)c2sc(Br)c(C)c2Br)c(Br)s1 2050330688 GFBCTGXMHCLWRR-SSDOTTSWSA-N 494.499 6.691 50 10 JKGE Clc1ccc(C[C@@H](Br)c2cccc(Br)c2)c(Br)c1 2077804092 XALMRSZBVLJIRE-CYBMUJFWSA-N 453.399 6.544 50 10 JKGE Fc1cc(Br)c([C@H](Br)c2occc2Br)c(F)c1Cl 2081837663 CYVHKYXIOMHQNT-QMMMGPOBSA-N 465.313 6.221 50 10 JKGE COc1ccsc1[C@H](Br)c1ccc(Br)c(C)c1Br 2083337622 JYKSTUFYEPZBNQ-GFCCVEGCSA-N 455.009 6.074 50 10 JKGE C[C@@H]1Cc2cc([C@@H](Br)c3cscc3Br)cc(Br)c2O1 2090469752 IBAAFTTUIPIVAD-FUXBKTLASA-N 467.020 6.081 50 10 JKGE Cc1cc([C@H](Br)c2cccc(Br)c2Br)c(F)cc1F 2092328826 PHWKUAUOQYPHBS-CYBMUJFWSA-N 454.934 6.283 50 10 JKGE BrCc1cc(Br)ccc1N1CC[C@H]2CCN(Cc3ccccc3)C[C@H]2C1 2092523653 JPHYRXZWLLPCBF-QUCCMNQESA-N 478.272 5.692 50 10 JKGE CCC[C@@H]1CC[C@H](Br)[C@@H](Cc2c(Br)cccc2Br)C1 2094093053 MHUBOAHAAGNRIO-BZPMIXESSA-N 453.056 6.734 50 10 JKGE C[C@@H](CCOCc1ccccc1)n1c(CCCl)nc2cc(Br)c(Cl)cc21 2103635600 CPUABHJTQVNZHW-AWEZNQCLSA-N 456.211 6.401 50 10 JKGE C[C@]1(C(F)(F)F)C[C@]1(CBr)Cc1cc(Cl)ccc1I 2105504525 IDHUJWUNKUVXTI-RYUDHWBXSA-N 467.494 5.841 50 10 JKGE C[C@@]1(C(F)(F)F)C[C@@]1(CBr)Cc1cccc(Br)c1Br 2105508676 AUCAFYJKGXJRPA-VXGBXAGGSA-N 464.945 6.108 50 10 JKGE Cc1cc(Br)c(CBr)c(N(C)C[C@@H]2CCCCN2Cc2ccccc2)c1 2116805688 KLRMVJBSIPJYOI-IBGZPJMESA-N 480.288 6.143 50 10 JKGE CC[C@@H](Br)[C@H]1CCCCN1Cc1cc(Br)ccc1Br 2118519805 NWNFTOVYCUQJRB-UKRRQHHQSA-N 454.044 5.740 50 10 JKGE Cc1c(Br)ccc([C@@H](Br)CC[C@@H]2CCCCO2)c1Br 2138854585 TYXCECJZTGTWNP-FZMZJTMJSA-N 455.028 6.305 50 10 JKGE Cc1cc(Br)c([C@@H](Br)c2ccccc2C(C)C)cc1Br 2144084251 WBKVKIMHELWPFN-KRWDZBQOSA-N 461.035 7.128 50 10 JKGE C[C@H]1Cc2cc([C@H](Br)c3cccc(OCc4ccccc4)c3)cc(Br)c2O1 2146628134 SNYKUMAOUMRJGX-OYHNWAKOSA-N 488.219 6.836 50 10 JKGE Brc1ccc(C[C@H]2CCc3ccccc3[C@H]2Br)c(Br)c1 2148684771 ICJUJIPXLASCOX-DYVFJYSZSA-N 459.019 6.453 50 10 JKGE CC[C@H]1CN(C(=O)OCc2ccccc2)[C@H](CC)CN1C(=O)c1ccc(CBr)cc1 2162916151 PXPOFMJYRDARLT-FCHUYYIVSA-N 473.411 5.233 50 10 JKGE CC(C)(C)OC(=O)NCC[S@@](=O)(=NC[C@H](CBr)C(C)(C)C)c1ccccc1 2163662061 SBMSMNYYWDKQKH-OQRWROFFSA-N 461.466 5.095 50 10 JKGE Clc1c(Br)cccc1CC(CBr)(CBr)C1CCCCC1 2166832298 NSSFZLOHQAJDHB-UHFFFAOYSA-N 487.501 7.002 50 10 JKGE COc1c(Br)cc(C)cc1[C@@H](Br)c1cc(C)ccc1Br 2203823753 LNHZZUOGVNAEGJ-HNNXBMFYSA-N 463.007 6.321 50 10 JKGE Fc1cc(Br)c(Br)cc1[C@@H](Cl)c1ccccc1Br 2218598690 VHUPXTDAQYMOIY-ZDUSSCGKSA-N 457.362 6.441 50 10 JKGE COc1cc(Br)c([C@@H](Br)c2ccsc2Br)cc1C 2220445234 NXTPFIVUCYVXJR-LBPRGKRZSA-N 455.009 6.074 50 10 JKGE C[C@]1([C@@H](Br)c2c(Br)cc(Cl)c(Cl)c2Cl)CCCOC1 2224309828 DDLUVKKCLUVDIG-STQMWFEESA-N 451.413 6.662 50 10 JKGE Fc1ccc(Cl)c([C@H](Br)c2cc(Br)c(Br)cc2F)c1 2225617330 OCJQLCWQHBMYKX-ZDUSSCGKSA-N 475.352 6.628 50 10 JKGE Fc1cc(Br)c(Br)cc1[C@H](Br)[C@@H]1OC[C@H]2CCC[C@H]21 2225620316 TUEKKZLVCMNVMI-SCOQNVJISA-N 456.975 5.602 50 10 JKGE Cc1cc(Br)c([C@@H](Br)[C@@H]2CCC(C)(C)C2)c(C)c1Br 2227370001 OXEQILQEASSBQQ-ABAIWWIYSA-N 453.056 7.091 50 10 JKGE Cc1cc([C@@H](Br)c2c(F)cc(F)c(Br)c2F)sc1Br 2227807038 JXVLLUJYRFMFDK-SNVBAGLBSA-N 478.953 6.483 50 10 JKGE Clc1ccc(Cl)c([C@H](Cl)c2c(Br)cc(Cl)c(Cl)c2Cl)c1 2232512622 OBHXJGJZPPOCSK-NSHDSACASA-N 453.805 8.044 50 10 JKGE Cn1nc([C@@H](Cl)c2c(F)cc(F)c(Br)c2F)c(Br)c1Cl 2236111044 SLTJWLFPTKUIKW-QMMMGPOBSA-N 452.883 5.344 50 10 JKGE Cc1cc(Br)c([C@H](Br)[C@@H]2OCC[C@H]2C(F)(F)F)cc1Br 2240538547 WYOCZHJTBSMOEJ-JFUSQASVSA-N 480.944 5.923 50 10 JKGE COc1sc([C@H](Br)c2scc(Br)c2Cl)cc1Br 2246466045 OVTAXCDJGDRLED-ZETCQYMHSA-N 481.456 6.481 50 10 JKGE Fc1cc([C@@H](Br)c2cc(Cl)sc2Cl)c(Cl)cc1Br 2255971024 YJCNGKXMKXAOFV-SNVBAGLBSA-N 453.385 7.094 50 10 JKGE CC(C)CC1([C@H](Br)c2c(F)cc(Br)c(F)c2Br)CC1 2272844911 DYVXPGLVSCYFBZ-CYBMUJFWSA-N 460.982 6.752 50 10 JKGE Fc1cc(C[C@H](Br)c2c(Br)cccc2Br)ccc1Cl 2277801133 KCMPXFNVMZVVGI-NSHDSACASA-N 471.389 6.683 50 10 JKGE Cc1c(Cl)cccc1-n1c(C)cc(C=C(C#N)C(=O)NCCc2c[nH]c3ccccc23)c1C 2294581408 SGUOLUTUGUHBRI-UHFFFAOYSA-N 456.977 5.803 50 10 JKGE COC(=O)c1cc(-c2ccccc2)sc1NC(=O)C(C#N)=Cc1c[nH]nc1-c1ccc(F)cc1 2295669909 JVXDNYVBJBENGY-UHFFFAOYSA-N 472.501 5.277 50 10 JKGE N#CC(=Cc1cn(-c2ccccc2)nc1-c1ccc([N+](=O)[O-])cc1)c1nc(O)c2ccccc2n1 2296721801 YSIVFEYUENRNAG-UHFFFAOYSA-N 460.453 5.160 50 10 JKGE N#CC(=CNc1ccc(I)cc1)c1nc(-c2ccc3c(c2)OCO3)cs1 2297321338 KSLZMJLPZIWRGV-UHFFFAOYSA-N 473.295 5.120 50 10 JKGE Cc1ccc(C(=O)Oc2ccc(C=C(C#N)C(=O)Nc3ccccc3C(F)(F)F)cc2)cc1 2297399777 KBICUZVQWRGCBP-UHFFFAOYSA-N 450.416 5.779 50 10 JKGE CCN(CC)c1ccc(C=NNC(=O)C(=Cc2cccs2)NC(=O)c2ccccc2Cl)cc1 2297451116 NQOMCDLUMGAHKI-UHFFFAOYSA-N 481.021 5.169 50 10 JKGE COc1ccc(C=CC(=O)Oc2ccc(C=NNC(=O)COc3cc(C)ccc3C(C)C)cc2)cc1 2297708193 MRYJYZLDQQWBMX-UHFFFAOYSA-N 486.568 5.275 50 10 JKGE C[C@@H]1OCC[C@H]1C[C@@H](Br)c1ccc(OCc2ccccc2)cc1Br 2299492913 JLEXWVIHJUGKSK-URLQWDBASA-N 454.202 6.279 50 10 JKGE FC(F)(F)CCC[C@@H](Br)c1cc(Br)ccc1OCc1ccccc1 2299498339 SYNDWWMYKJVYKY-MRXNPFEDSA-N 466.135 7.197 50 10 JKGE Clc1ccccc1[C@H](Br)c1ccc(OCc2ccccc2)cc1Br 2299531574 XBWPPSIQNHHGMY-HXUWFJFHSA-N 466.600 7.166 50 10 JKGE FC1(F)CCCC[C@@H]1[C@@H](Br)c1sc(Cl)cc1I 2300998108 OSGFZLHWIOTHSR-HZGVNTEJSA-N 455.533 6.268 50 10 JKGE COc1ccc(NC(=O)C(C#N)=Cc2cc(Br)c(OCc3ccccc3)c(OC)c2)cc1 2313511177 RWTAXPJEPSZTMA-UHFFFAOYSA-N 493.357 5.591 50 10 JKGE C=CCc1cc(C=C(C#N)C(=O)N(C)C)cc(OCC)c1OCc1ccc(Br)cc1 2313567117 GOYDFZQUPVHSRZ-UHFFFAOYSA-N 469.379 5.150 50 10 JKGE CC[C@]12CO[C@]([C@H](Br)c3ccc(OCc4ccccc4)cc3Br)(C1)C2 2314445755 SMBDOBLCUGBHDH-NJYVYQBISA-N 466.213 6.423 50 10 JKGE COc1ccccc1[C@@H](Br)c1ccc(OCc2ccccc2)cc1Br 2314448160 FLXNULWWKJIQII-NRFANRHFSA-N 462.181 6.521 50 10 JKGE Brc1ccc(OCc2ccccc2)c([C@@H](Br)[C@@H]2CC23CCCCC3)c1 2314499229 AHGSHYLSDLFVBF-PZJWPPBQSA-N 464.241 7.435 50 10 JKGE CCCOc1cccc(-c2nn(-c3ccccc3)cc2C=C2C(=O)N(C(C)C)C(=O)C(C#N)=C2C)c1 2314610916 OIGKGVILCUOAMO-UHFFFAOYSA-N 480.568 5.329 50 10 JKGE CCCCCN1C(=O)C(=Cc2ccc(OCc3ccccc3Cl)c(OC)c2)C(C)=C(C#N)C1=O 2314611475 UYPJVTHDEOHDBQ-UHFFFAOYSA-N 478.976 5.710 50 10 JKGE CC1=C(C#N)C(=O)N(CCc2ccccc2)C(=O)C1=Cc1ccc(OCc2ccccc2F)cc1 2314617362 WTZIPNHIIRHURX-UHFFFAOYSA-N 466.512 5.240 50 10 JKGE CC1=C(C#N)C(=O)N(Cc2ccco2)C(=O)C1=Cc1ccc(-c2ccc(Cl)c(Cl)c2)o1 2314618766 UASXXRHCJCJWNM-UHFFFAOYSA-N 453.281 5.639 50 10 JKGE COC(=O)c1c(-c2ccccc2)csc1NC(=O)C(C#N)=Cc1ccc(OCc2ccccc2)cc1 2314730606 KAPVWZCITZEUMY-UHFFFAOYSA-N 494.572 6.326 50 10 JKGE Fc1c(Br)cc(Cl)c([C@H](Br)C2(C(F)F)CC2)c1Br 2315453688 OXUYACCXWCAWEV-VIFPVBQESA-N 471.336 6.485 50 10 JKGE Cn1nc(Br)c(Br)c1[C@H](Br)Cc1ccc(Cl)cc1 2316702026 UVHKSSIGJUSPNV-SECBINFHSA-N 457.391 5.277 50 10 JKGE COc1ccc(C(C#N)=Cc2ccc(OC(=O)C34CC5CC(CC(C5)C3)C4)c(OC)c2)cc1OC 2320506985 WCEUNOVTSPBYBQ-UHFFFAOYSA-N 473.569 5.898 50 10 JKGE Cc1ccc2nc(-c3ccc(NC=C(C#N)C(=O)N[C@@H](C)C45CC6CC(CC(C6)C4)C5)cc3)sc2c1 2324904507 XLVOKXSDACWXGH-BLNXRSMSSA-N 496.680 6.812 50 10 JKGE N#CC(=CNc1ccc(Cl)cc1C(F)(F)F)C(=O)NC1CCCCCCCCCCC1 2325485950 SKINPEZXMYTBPH-UHFFFAOYSA-N 455.952 6.968 50 10 JKGE CC(C)(C)OC(=O)N1CC[C@@H](C2CCC3(CCC[C@H](CI)O3)CC2)C1 2327994470 YCMGNLUXCMQWSK-MUZJZNNISA-N 463.400 5.177 50 10 JKGE CC(=Cc1cccc(Cl)c1)C(=O)N[C@@H](Cc1ccccc1)C(=O)Nc1ccc(SC#N)cc1 2330532942 TXGUSSFIUZMBCD-DEOSSOPVSA-N 476.001 5.683 50 10 JKGE N#CC(=C(O)c1ccc(Cl)c([N+](=O)[O-])c1)c1nc(-c2ccc(Br)cc2)cs1 2331259985 BZTQCNGNDFMPDG-UHFFFAOYSA-N 462.712 6.084 50 10 JKGE N#CC(=C(O)c1ccc(N2CCCC2)c([N+](=O)[O-])c1)c1nc(-c2cccc(Cl)c2)cs1 2331294213 CKLGVGONSSGFMK-UHFFFAOYSA-N 452.923 5.922 50 10 JKGE COc1ccc(C(C)(C)C)cc1-c1csc(C(C#N)=C(O)COc2ccc(C)cc2C(C)(C)C)n1 2331350779 SQMWPANLLCPYPO-UHFFFAOYSA-N 490.669 7.594 50 10 JKGE Cc1cc(C)c(-c2csc(C(C#N)=C(O)c3ccc4c(c3)C(=O)N(C3CCCCC3)C4=O)n2)c(C)c1 2331393005 DXEGJSUXYXALJK-UHFFFAOYSA-N 497.620 6.614 50 10 JKGE COc1ccc(-c2csc(C(C#N)=C(O)[C@@H](C)Oc3ccc(Cl)cc3Cl)n2)c2ccccc12 2331408331 YOPWFXMMJMRDFR-CQSZACIVSA-N 497.403 7.539 50 10 JKGE COc1ccc(Cl)cc1-c1csc(C(C#N)=C(O)c2c(Cl)ccc(Cl)c2Cl)n1 2331410987 BHACERTUEDOMDO-UHFFFAOYSA-N 472.180 7.382 50 10 JKGE Fc1cc(Br)c(Br)cc1[C@@H](Br)[C@@]12CCCC[C@@H]1CC2 2334774003 WHQRXTOMSVXVRL-DFKRKDTASA-N 455.003 6.757 50 10 JKGE Cn1ncc2cc([C@@H](Br)c3cc(Br)ccc3OCc3ccccc3)sc21 2336038626 PKROARLWOXJWNK-IBGZPJMESA-N 492.236 6.461 50 10 JKGE Fc1c(Br)cc(Cl)c([C@H](Br)[C@H]2C[C@@H]3C[C@@H]3CO2)c1Br 2337086890 QZVNGQDVTZUNJI-WQRVWIMNSA-N 477.393 5.865 50 10 JKGE COc1sccc1[C@H](Br)c1c(Cl)cc(Br)c(F)c1Br 2337113003 VEYZWDVGXUWDKV-VIFPVBQESA-N 493.417 6.559 50 10 JKGE Clc1ccc([C@@H](Br)CCc2ccc(Cl)cc2I)cc1 2341060867 ZXULERUUGHWELW-AWEZNQCLSA-N 469.975 6.667 50 10 JKGE CC(C)[C@@H]1CC[C@H](Cl)[C@H](Cc2ccc(I)c(Br)c2)C1 2349777569 BVYSRLXCIJFRMO-NFAWXSAZSA-N 455.605 6.276 50 10 JKGE Cc1cc(Br)c(C(C)C)cc1[C@H](Cl)c1csc(I)c1 2352791025 SBXFQKXHZWWWMH-OAHLLOKOSA-N 469.613 6.875 50 10 JKGE Fc1c(Br)cc(Cl)c([C@H](Br)C2[C@@H]3[C@H]4CC[C@@H](C4)[C@@H]23)c1Br 2362257503 IJDYQMXGRCOMIY-HMIJAUANSA-N 487.432 6.732 50 10 JKGE CN(Cc1ccc(I)cc1)c1cc(Cl)c(F)cc1CBr 2362399168 ZRJIVVCHYZLNTN-UHFFFAOYSA-N 468.535 5.615 50 10 JKGE COc1cc(F)c(Cl)cc1[C@@H](Br)c1c(Br)c(Br)nn1C 2364238104 WVNHKQKHJHQJQB-SECBINFHSA-N 491.380 5.231 50 10 JKGE Clc1ccc(CN2[C@H](CBr)C[C@H]3CCCC[C@H]32)c(I)c1 2366715855 SKRRFQLARJBFGB-DIOULYMOSA-N 468.604 5.473 50 10 JKGE COc1cc(CBr)cc(Cl)c1OCc1sc(Cl)cc1Br 2372287196 KDCUOVZRWVLDIC-UHFFFAOYSA-N 461.002 6.300 50 10 JKGE C[C@@H]1CCC[C@]12[C@H](Br)C[C@H]2OCc1cc(I)ccc1Cl 2380346351 MEXILOGDWRQJLJ-HMTTWLPMSA-N 469.588 5.803 50 10 JKGE COc1ccc(NC(=O)/C(C#N)=C/c2c(C)n(Cc3ccc([N+](=O)[O-])cc3)c3ccccc23)cc1 2855133 LZOQDDVPLDLPGC-HMMYKYKNSA-N 466.497 5.461 50 10 JKGE Cc1cc([N+](=O)[O-])ccc1-c1ccc(/C=N/NC(=O)COc2ccc(Cl)cc2C2CCCCC2)o1 20352849 SLCBFZKCRUSINH-RWPZCVJISA-N 495.963 6.393 50 10 JKGE COc1ccc(/C=N/NC(=O)c2ccc(C(C)(C)C)cc2)cc1COc1cc(C)c(Cl)c(C)c1 20615868 SLBZFESPNXUQOC-OKCVXOCRSA-N 479.020 6.606 50 10 JKGE CCCSc1ccc(-c2nn(-c3ccccc3)cc2/C=C(\C#N)C(=O)NCCCOC)cc1 34793183 MKGCMXOEKITBCG-HEHNFIMWSA-N 460.603 5.101 50 10 JKGE CCCOc1cccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4cccc(Cl)c4)ccc32)c1 38684482 IFHPZSHCONNROQ-DEOSSOPVSA-N 460.917 5.566 50 10 JKGE COc1cccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4cc(Cl)c(OC)c(Cl)c4)ccc32)c1 38687323 ILDCOXYETFZEOA-QFIPXVFZSA-N 497.334 5.448 50 10 JKGE CCCCC1CCC(C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@H]3c2cccc(Cl)c2)CC1 38687732 MJEFSNSEWWIYCB-KRFIBBNCSA-N 464.993 6.460 50 10 JKGE COc1cc(/C=N/NC(=O)COc2cccc(Cl)c2)ccc1OCc1c(Cl)cccc1Cl 40911606 XFJKJBOCLTYDCV-KKMKTNMSSA-N 493.774 5.764 50 10 JKGE O=C(CC[C@H](O)c1ccccc1)N/N=C\c1cn(Cc2ccc(Cl)c(Cl)c2)c2ccccc12 58891253 RCTJAXQJJDWZEY-GBTJHXGGSA-N 480.395 5.960 50 10 JKGE N#C/C(=C\c1cccn1-c1ccc(Br)cc1)C(=O)Nc1cccc(Br)c1 59248287 CYWNLRZAXPSCRC-SDNWHVSQSA-N 471.152 5.548 50 10 JKGE O=C(COc1ccc(Cl)cc1Cl)NN=C(/C=C/c1ccccc1)/C=C/c1ccccc1 59444919 CQEXFFIVRJJIIO-LCPPQYOVSA-N 451.353 6.271 50 10 JKGE CCOC(=O)c1c(-c2ccc(Cl)cc2)csc1NC(=O)/C(C#N)=C\c1ccccc1OC 102957414 ZSTDSLWNHHCWMA-ATVHPVEESA-N 466.946 5.799 50 10 JKGE CSc1ccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)/C=C\c4ccc(C)cc4)ccc32)cc1 205655219 IIMDKNYQGDQVFO-XHASNHEZSA-N 454.551 5.554 50 10 JKGE N#C/C(=C/NC1CCN(Cc2ccccc2)CC1)C(=O)NC1CCCCCCCCCCC1 217260116 FCZUPJKNHVWAOL-LVWGJNHUSA-N 450.671 5.438 50 10 JKGE COc1ccc([C@@H](Br)c2cccc(Br)c2Cl)c(OC)c1Cl 224667735 DFHYRSJAABMUGU-LBPRGKRZSA-N 454.973 6.257 50 10 JKGE Clc1sc([C@H](Br)c2csc(I)c2)cc1Br 227845171 JMZOPLZEPJACSK-MRVPVSSYSA-N 498.430 6.314 50 10 JKGE COc1c(C)cc(Br)c(C)c1[C@@H](Cl)c1cccc(Br)c1Cl 228454458 FYESTQFBEUUIGB-HNNXBMFYSA-N 453.001 6.819 50 10 JKGE Fc1cc(Oc2ccc(CBr)c(Br)c2)c(Br)cc1Cl 236166367 QCDVIGGMUMRYAM-UHFFFAOYSA-N 473.361 6.691 50 10 JKGE Fc1cc(Br)c(Cl)cc1[C@H](Cl)c1ccc(Br)cc1Br 236232796 OPQNPAQFGMHJCT-CYBMUJFWSA-N 491.807 7.095 50 10 JKGE CCn1c(SCC(=O)NN=C(C)c2ccc(-c3ccccc3)cc2)nnc1-c1ccc(C)cc1 254556799 OYBCUQGIMVEKAE-UHFFFAOYSA-N 469.614 5.573 50 10 JKGE Cc1cc(CC(CBr)(CBr)c2cccc(Br)c2)cs1 311931010 GFQGVJAQLCOGAL-UHFFFAOYSA-N 467.064 6.089 50 10 JKGE CCCOc1ccc([C@@H](Br)c2ccc(OCc3ccccc3)cc2)cc1Br 312941346 PTGLQUFNFJVDTC-QHCPKHFHSA-N 490.235 7.301 50 10 JKGE FC(F)(F)Oc1cccc([C@H](Cl)c2cc(Br)c(Br)s2)c1 383618730 BGWKAXMUSAXXLU-JTQLQIEISA-N 450.501 6.500 50 10 JKGE C[C@H](Cl)c1nc2cc(I)ccc2n1[C@H](C)CCOCc1ccccc1 389672471 QCCNRTVWORXOGY-CABCVRRESA-N 468.766 6.109 50 10 JKGE COc1c(Br)cc(Cl)cc1[C@H](Br)c1coc(Br)c1 394121948 GOWKGVIBTDYJKZ-LLVKDONJSA-N 459.359 5.951 50 10 JKGE Cc1cc(F)c([C@@H](Br)c2ccc(I)c(Cl)c2)cc1Cl 395584065 WENVPEMUCPTUJO-AWEZNQCLSA-N 473.938 6.530 50 10 JKGE C[C@H]1C[C@H](n2c(CCl)nc3cc(I)ccc32)CN1Cc1ccccc1 398010535 BLHZJEJIOCWESA-YOEHRIQHSA-N 465.766 5.215 50 10 JKGE CC1=CCCC(C)(C)[C@@H]1/C=C\C(C)=NNC(=O)c1ccc(CSc2nc(C)cc(C)n2)cc1 606347404 BNOCNIRXTZIFLJ-PVJLUKMISA-N 462.663 6.430 50 10 JKGE CC(C)(C)[Si](C)(C)OCCc1cccc([C@H]2CCN(CCO[Si](C)(C)C(C)(C)C)CCO2)c1 616595795 PTEOASDUNAABGG-RUZDIDTESA-N 493.881 7.036 50 10 JKGE CC(C)(C)[Si](C)(C)OCCN1CCCC[C@H]1c1cccc(CO[Si](C)(C)C(C)(C)C)c1 616616543 RSUUUAQJJRQOMW-DEOSSOPVSA-N 463.855 7.757 50 10 JKGE CN(C(=O)OC(C)(C)C)c1ccc([C@H]2COCCN2CCO[Si](C)(C)C(C)(C)C)cc1 616639755 PLINWEXOOBYSIY-OAQYLSRUSA-N 450.696 5.453 50 10 JKGE CC(C)(C)OC(=O)Nc1cccc([C@@H]2COCCN(CCO[Si](C)(C)C(C)(C)C)C2)c1 616660543 MIPKLLLWGHVLQO-FQEVSTJZSA-N 450.696 5.471 50 10 JKGE O=P(c1ccccc1)(c1ccccc1)c1ccc(N2c3ccccc3Sc3ccccc32)cc1 642813727 MCBJOXCZZLHRGB-UHFFFAOYSA-N 475.553 7.260 50 10 JKGE Cc1cc([C@@H](Br)c2scc(Br)c2Br)c(F)cc1F 705425527 LBVMZQDWVYUJQK-SNVBAGLBSA-N 460.963 6.344 50 10 JKGE Cc1ccc([C@@H](Cl)c2cc(Br)c(Br)s2)c(C)c1Br 719610667 VWEJGTZZFOKGDJ-GFCCVEGCSA-N 473.455 6.981 50 10 JKGE COc1ccc(CNC(=O)[C@H](c2cccs2)N(C(=O)CCl)c2cccc(C(F)(F)F)c2)cc1 725237540 JPDVKJLJODWVGF-NRFANRHFSA-N 496.938 5.405 50 10 JKGE CC(C)NC(=O)/C(C#N)=C/c1cc(Br)ccc1OCc1ccc(Cl)cc1Cl 1084082071 CVDMPZURYVEILW-VIZOYTHASA-N 468.178 5.766 50 10 JKGE CCOc1ccc(C(=O)NN=Cc2cc(Cl)c(OCc3ccc([N+](=O)[O-])cc3)c(OCC)c2)cc1 1084193360 PNWYMWMZIMFKPI-UHFFFAOYSA-N 497.935 5.389 50 10 JKGE CCCCC(=O)N(N=Cc1cccc(OC)c1)c1nc(C(F)(F)F)c(-c2ccc(F)cc2)s1 1084575251 UIAUDCMANGKREJ-UHFFFAOYSA-N 479.499 6.534 50 10 JKGE Cc1ccc(COc2ccc([C@@H]3C(C#N)=C(N)Oc4c3c(C)nn4Cc3cccc(Cl)c3)cc2)cc1 1865692150 BOUHKOFEGKILAA-HHHXNRCGSA-N 496.998 5.999 50 10 JKGE Cc1cccc([C@H]2C(C#N)=C(N)Oc3c2c(-c2ccccc2)nn3-c2cccc3ccccc23)c1 1865711267 UMEBMGHJBDDZNZ-SANMLTNESA-N 454.533 6.219 50 10 JKGE COc1ccc(-c2nn(Cc3ccccc3Cl)c3c2[C@H](c2ccccc2C)C(C#N)=C(N)O3)cc1 1865712993 NSUBLPXSESWRQU-XMMPIXPASA-N 482.971 5.787 50 10 JKGE Cc1nc(-c2ccc(Cl)c(Cl)c2)ccc1C(=O)N/N=C\c1ccc(Br)cc1 1865762458 HMGWJBKOLFITHG-MYKKPKGFSA-N 463.162 5.890 50 10 JKGE CCOC(=O)c1cnn(-c2cccc(Cl)c2)c1NC(=O)/C(C#N)=C/c1ccc(Br)cc1 1866129583 ZYIFKDXUQMRFPK-XNTDXEJSSA-N 499.752 5.011 50 10 JKGE CCC[C@H](NC(=O)C[C@H](CC(C)C)c1ccc(F)cc1)C(=O)Nc1ccc(SC#N)cc1 1867097764 DZKDLZIHPRAKEO-CVDCTZTESA-N 455.599 5.842 50 10 JKGE COCCc1nc(Nc2ccc(SC#N)cc2)cc(N2CCC[C@@H](Oc3ccccc3)C2)n1 1868253497 JJAXNGMQNRDRHG-OAQYLSRUSA-N 461.591 5.030 50 10 JKGE CC(C)c1csc(/C(C#N)=C(\O)c2cc(S(=O)(=O)N3CCCCC3)ccc2Cl)n1 1872750748 QCDQISGYEFWCHW-MNDPQUGUSA-N 452.001 5.044 50 10 JKGE COc1ccc(-c2csc(/C(C#N)=C(\O)CCc3nc4ccccc4[nH]c3=O)n2)cc1Cl 1872757568 LXYVZFVXFZETIO-ZHZULCJRSA-N 464.934 5.134 50 10 JKGE COC(=O)c1ccccc1N1C[C@@H](/C(O)=C(\C#N)c2nc(-c3ccc(Cl)s3)cs2)CC1=O 1872758170 OBIGOMSBSBMWBD-SXPRPLFSSA-N 485.974 5.157 50 10 JKGE CC(C)c1ccc(O[C@H](C)/C(O)=C(\C#N)c2nc(-c3cc(Cl)ccc3Cl)cs2)cc1 1872758778 QGCXNRWTLUMSEM-CINSFREOSA-N 459.398 7.500 50 10 JKGE CC(C)c1ccc(-c2csc(/C(C#N)=C/c3ccc(OCc4ccccc4Cl)cc3)n2)cc1 1872791787 RVYWBMXCQUDHQU-BUVRLJJBSA-N 471.025 8.230 50 10 JKGE CN(Cc1ccc(Cl)cc1I)C[C@H](Cl)COCc1ccccc1 1901959364 GKQYFFACSRLQRN-KRWDZBQOSA-N 464.174 5.201 50 10 JKGE COc1cc(OC)cc([C@H](Br)c2sc(Br)c(C)c2Br)c1 1922882774 HUYSGEPGIHKVEE-LBPRGKRZSA-N 485.035 6.083 50 10 JKGE CC[C@H]1CC[C@H]([C@@H](Br)c2sc(Br)c(C)c2Br)CC1 1922945365 FQEPYRVTHKAWJT-CKYFFXLPSA-N 459.085 7.234 50 10 JKGE Cc1cccc([C@@H](Br)c2sc(Br)c(C)c2Br)c1C 1922946988 XQDZMOPDQLWRGD-GFCCVEGCSA-N 453.037 6.683 50 10 JKGE Brc1sc(Br)c([C@@H](Br)C[C@@H]2CCCO2)c1Br 1924580011 NBEDXHIHGXPOBZ-WDSKDSINSA-N 497.872 6.041 50 10 JKGE Cl[C@@H](CC1CCCC1)c1c(Br)sc(Br)c1Br 1924581148 YGWMTWKRYISFFH-ZETCQYMHSA-N 451.449 6.896 50 10 JKGE CC1(C)[C@H]2CC[C@@H](C2)[C@H]1[C@@H](Cl)c1c(Br)sc(Br)c1Br 1924615399 AEVFKSXSIDQUIW-OICUOVSFSA-N 491.514 7.388 50 10 JKGE CC(C)([C@H](Cl)c1c(Br)sc(Br)c1Br)[C@H]1CCCO1 1924616932 VLBGDEOPAJSZDW-HZGVNTEJSA-N 481.475 6.521 50 10 JKGE COCCOc1ccc([C@@H](Br)c2csnc2Br)cc1Br 1925255394 YKAXPYDASOVLEU-GFCCVEGCSA-N 486.023 5.178 50 10 JKGE C[C@H]1COc2ccc([C@@H](Cl)c3cc(I)ccc3Br)cc21 1925733541 DDAXCTYNFKVWRL-XXFAHNHDSA-N 463.540 5.878 50 10 JKGE CCc1sc(Br)cc1[C@H](Br)c1sccc1I 1937442118 DURHIXFJSVKYTK-JTQLQIEISA-N 492.039 6.223 50 10 JKGE Clc1c(Br)sc(Br)c1[C@@H](Br)[C@H]1[C@H]2COC[C@H]21 1982233699 YJOAEMRAHFLIRE-RULRNXASSA-N 451.405 5.255 50 10 JKGE Cc1c(Br)sc([C@@H](Cl)c2cn(C)nc2Br)c1Br 2005279811 RGASPGYJSNBSPS-ZETCQYMHSA-N 463.420 5.406 50 10 JKGE C[C@@H]1CCC[C@H]([C@@H](Cl)c2c(Br)sc(Br)c2Br)CC1 2039360508 TUAZRHZWZLFJOX-VHSKPIJISA-N 479.503 7.532 50 10 JKGE CC(C)(C)OC(=O)C1CC2(C1)CN(C(=O)OC(C)(C)C)CC[C@@H]2O[Si](C)(C)C(C)(C)C 2069453771 SDIVGDHZDKKJEE-JZGPVCMCSA-N 455.712 5.756 50 10 JKGE COc1ccc(C(F)(F)F)cc1-n1nc(CBr)c(Br)c1C(F)(F)F 2079233685 CGQSKNTZKUGCKB-UHFFFAOYSA-N 482.016 5.576 50 10 JKGE FC1(F)C[C@]1(Br)COc1c(Br)cc(Br)cc1CCl 2082493380 NHTVOGITQWZYFO-JTQLQIEISA-N 469.345 5.502 50 10 JKGE CCc1ccc([C@@H](Br)c2ccc(Br)c(C)c2Br)s1 2083337197 HQWHHUXOJJPQFE-AWEZNQCLSA-N 453.037 6.628 50 10 JKGE Fc1cc([C@H](Br)c2cc(C3CC3)c(Br)s2)ccc1Br 2094673724 OAXFMEFGDBYHMN-ZDUSSCGKSA-N 469.011 6.774 50 10 JKGE CCc1nc([C@@H](Br)c2ccc(OC)cc2Br)c(Br)s1 2113183589 ULYZCXDLRZWPMM-NSHDSACASA-N 470.024 5.723 50 10 JKGE Fc1cccc([C@H](Br)CCc2ccc(Br)cc2Br)c1 2113382164 RGHTXPAIRVCPRH-CQSZACIVSA-N 450.971 6.420 50 10 JKGE C[C@@H]1CN(Cc2cc(Cl)ccc2I)CC[C@@H]1CCBr 2115843139 KOURWVPUYGFEEY-NEPJUHHUSA-N 456.593 5.188 50 10 JKGE Cc1c(Br)sc([C@@H](Br)C2(C(F)(F)F)CCCC2)c1Br 2116579697 JZRSZQIZJIALTK-SECBINFHSA-N 485.001 7.140 50 10 JKGE CC1(C)CCCN(Cc2ccc(Br)cc2Br)[C@H]1CBr 2129322027 OXRXNJCJINEGII-AWEZNQCLSA-N 454.044 5.597 50 10 JKGE Cc1c(Br)ccc([C@@H](Br)c2cccc(F)c2F)c1Br 2138850675 HYFBRAWYLDANFA-CYBMUJFWSA-N 454.934 6.283 50 10 JKGE Clc1cccc(C[C@H](CBr)Cc2cccc(Br)c2Br)c1 2148749980 FTDCKHZMDOEAID-LBPRGKRZSA-N 481.453 6.661 50 10 JKGE CCc1ccc([C@@H](Br)c2c(Br)cccc2Br)cc1CC 2150494927 UEYBHWRBRMTNMQ-QGZVFWFLSA-N 461.035 6.821 50 10 JKGE Brc1csc([C@@H](Br)Cc2cc3ccccc3cn2)c1Br 2151350887 YWCBLTGGNXLZFH-LBPRGKRZSA-N 476.031 6.500 50 10 JKGE CC1(C)C[C@H](n2c(CCl)nc3c(Br)cc(F)cc32)[C@H]1OCc1ccccc1 2156376466 PFSFMYHAXOWCNK-FXAWDEMLSA-N 451.767 6.233 50 10 JKGE CCc1nc([C@H](Cl)c2scc(C(F)(F)F)c2Br)c(Br)s1 2169489042 YQGPTCMTYGXDHP-ZETCQYMHSA-N 469.573 6.639 50 10 JKGE O=S(=O)(c1ccc(Cl)c(CBr)c1Cl)N1CC[C@H](COCc2ccccc2)C1 2179833659 DEBWDCVOPSRBBW-HNNXBMFYSA-N 493.250 5.116 50 10 JKGE Cc1nn(C)c(Br)c1[C@@H](Cl)c1scc(C(F)(F)F)c1Br 2185747661 ATDIFBOSIIMNKZ-MRVPVSSYSA-N 452.521 5.662 50 10 JKGE Cc1c([C@@H](Br)c2scc(C(F)(F)F)c2Br)c(Br)nn1C 2188149202 XWRIJMZJCMQZGC-MRVPVSSYSA-N 496.972 5.818 50 10 JKGE Cc1cc(Br)c(C)c([C@@H](Cl)c2c(Br)nn(C)c2C)c1Br 2201076016 WPXKNJOCZGZSGY-CYBMUJFWSA-N 485.445 5.961 50 10 JKGE COc1cc(Cl)c([C@H](Br)c2c(Br)nn(C)c2C)cc1Br 2202350984 HCOUBPICYNOIQZ-LBPRGKRZSA-N 487.417 5.400 50 10 JKGE Brc1ccc([C@H](Br)[C@H]2CCOc3ccccc32)c(Br)c1 2203685705 LFKCSJYKVYRARU-BLLLJJGKSA-N 460.991 6.214 50 10 JKGE Clc1cc([C@H](Br)c2ccc(-c3cccs3)s2)ccc1I 2205863041 VGMVRSRECFVJEG-HNNXBMFYSA-N 495.632 7.219 50 10 JKGE Fc1cccc([C@H](CI)OCc2ccc(F)cc2Br)c1 2206270356 WVQFAVONNRBJSW-HNNXBMFYSA-N 453.064 5.420 50 10 JKGE Cc1c(Br)ccc([C@H](Br)[C@H]2C[C@H]3COC[C@H](C3)C2)c1Br 2206753658 SIBMEXLLKZLPBE-AZKPJATDSA-N 467.039 6.019 50 10 JKGE CC(C)(C[C@H](Br)c1cc(Br)c(Br)cc1F)C(F)(F)F 2225615947 BGVFFPIWKNQJEG-VIFPVBQESA-N 470.924 6.765 50 10 JKGE CCN[C@@H](c1c(Br)cc(C)c(Br)c1C)C1CC(Br)C1 2227346397 CVBKZMTZERMUNK-QKFMDRJYSA-N 454.044 5.653 50 10 JKGE Clc1cc(Br)ccc1C[C@H](Cl)c1c(Br)cccc1Br 2229153391 SXOCPOUTWOWFHS-ZDUSSCGKSA-N 487.844 7.150 50 10 JKGE CCCN[C@@H](c1c(Br)cc(Cl)c(Cl)c1Cl)C1CC(Br)C1 2232525881 FHLWZFSVJSAPNU-HLCFFCTHSA-N 464.456 6.624 50 10 JKGE Cc1cc(Br)c([C@H](Br)c2cc(Cl)cc(Cl)c2)c(C)c1Cl 2232531224 YZPDLBPJGSMHTB-CQSZACIVSA-N 457.420 7.510 50 10 JKGE Cc1cc(Br)c([C@H](Br)CC23CCC(CC2)C3)c(C)c1Br 2235601344 VTJATVXMVFGGKL-KDJCLPLCSA-N 465.067 7.235 50 10 JKGE Cc1cc(Br)c([C@@H](Br)[C@@H]2CCCC(C)(C)C2)c(C)c1Br 2235602715 FBEKBCXQNACPQH-WBMJQRKESA-N 467.083 7.481 50 10 JKGE Cc1cc(Br)cc([C@@H](Br)c2c(F)cc(F)c(Br)c2F)c1 2236113077 YTIACUHBANYUPD-GFCCVEGCSA-N 472.924 6.422 50 10 JKGE Fc1cccc(I)c1[C@@H](Cl)c1sc(Cl)cc1Br 2247990372 SLXOTVFUQKHXIF-SNVBAGLBSA-N 465.940 6.236 50 10 JKGE Fc1cc(Cl)c([C@H](Cl)c2c(Cl)sc(Br)c2Cl)cc1Br 2270460985 LBYRHYMJUNUDDZ-QMMMGPOBSA-N 487.830 7.701 50 10 JKGE COc1cc(C)c(Br)c(C)c1[C@@H](Br)c1cc(Br)co1 2270464877 RLVPQDGPFHPABW-AWEZNQCLSA-N 452.968 5.914 50 10 JKGE CC(C)(C)OC(=O)NC[C@H]1CC[S@@](=O)(=NCCCCCCCBr)C1(C)C 2277447570 ISGFDTCHZQFBOO-DXPJPUQTSA-N 453.487 5.123 50 10 JKGE Fc1ccc([C@H](Cl)Cc2cc(Br)cc(Br)c2)cc1Br 2277884256 IGYLVSOHWJXWOF-CYBMUJFWSA-N 471.389 6.636 50 10 JKGE O=C(c1csc(Br)c1Br)N1C[C@H](Br)C[C@H]2CCCC[C@H]21 2279524141 SVDRMNMGUGEUGF-FXPVBKGRSA-N 486.067 5.441 50 10 JKGE Cc1cc(Br)c([C@H](Br)C[C@H]2CCCCC23CC3)cc1Br 2279675312 UUBOWQVVZAOFOB-MLGOLLRUSA-N 465.067 7.317 50 10 JKGE Fc1cc([C@H](Cl)Cc2ccc(Br)cc2Cl)c(Cl)cc1Br 2282969584 DZNOPWBKJGYJEI-GFCCVEGCSA-N 461.383 7.180 50 10 JKGE CC1(C)OCCO[C@@H]1[C@H](Br)c1c(F)cc(Br)c(F)c1Br 2288485728 ZVYHRCSGOHBCOI-ZYHUDNBSSA-N 478.953 5.120 50 10 JKGE COc1cccc(NC(=O)C(C#N)=Cc2cc(Br)c(Sc3ccc(C)cc3)o2)c1 2294156054 IZNJEJRKMHJQRG-UHFFFAOYSA-N 469.360 6.056 50 10 JKGE N#CC(=CNc1ccccc1OC(F)(F)[C@H](F)Cl)c1nc(-c2ccc3c(c2)OCO3)cs1 2295945631 FPAMCLVBGZTZAX-FQEVSTJZSA-N 479.867 6.021 50 10 JKGE CCOc1ccc(-c2csc(C(C#N)=CNc3ccc4c(c3)c3ccccc3n4CC)n2)cc1 2295945951 ZTWKENAYAJBQQK-UHFFFAOYSA-N 464.594 7.313 50 10 JKGE N#CC(=CNc1ccccc1OC(F)(F)[C@H](F)Cl)c1nc(-c2ccc([N+](=O)[O-])cc2)cs1 2295948579 NZAUATXKYUDEPT-IBGZPJMESA-N 480.855 6.201 50 10 JKGE N#CC1=C(N)OC2=C(CN(Cc3ccccc3)CC2=Cc2cccc(F)c2)[C@H]1c1cccc(F)c1 2297455248 XGLGJCHXVFCTJP-MHZLTWQESA-N 467.519 5.626 50 10 JKGE COC1(C[C@@H](Br)c2ccc(OCc3ccccc3)cc2Br)CCC1 2299497762 SCCBHTXZHUKSDU-LJQANCHMSA-N 454.202 6.423 50 10 JKGE Clc1cc(I)c([C@@H](Br)c2cc3c(s2)CCC3)s1 2301084130 PJNOHHYYOLOVPQ-NSHDSACASA-N 459.599 6.041 50 10 JKGE C=CCNC(=O)C(C#N)=C1S[C@@H](Cc2cccc(Cl)c2Cl)C(=O)N1c1ccc(CC)cc1 2314592770 BKWVGQPJXUSAQO-FQEVSTJZSA-N 486.424 5.284 50 10 JKGE CCCCCOc1ccccc1[C@@H]1C(C#N)=C(N)Oc2cc(OC(=O)C=Cc3ccccc3)ccc21 2314640619 DEZOMODZBACHCB-LJAQVGFWSA-N 480.564 6.093 50 10 JKGE Fc1c(Br)cc(Cl)c([C@H](Cl)c2ccc(Br)o2)c1Br 2315439450 FLQDVHMPXKUERG-SNVBAGLBSA-N 481.768 6.688 50 10 JKGE Fc1c(Br)cc(Cl)c([C@H](Br)c2cscc2Cl)c1Br 2315440335 RIJAZHSMCMPJQP-SECBINFHSA-N 497.836 7.203 50 10 JKGE Fc1c(Br)cc(Cl)c([C@H](Cl)c2ccsc2Br)c1Br 2315450779 ICKBNQPNSFGEPH-SECBINFHSA-N 497.836 7.156 50 10 JKGE CCCc1sc(Br)cc1[C@H](Br)c1ccc(Br)cc1 2316177938 JFZKNLZRYJPOOU-CQSZACIVSA-N 453.037 6.710 50 10 JKGE FC(F)(F)c1ccc([C@H](Br)c2sc(Cl)cc2I)o1 2316774466 JJUBLHUHUXPBFF-QMMMGPOBSA-N 471.463 6.102 50 10 JKGE COc1cc(C=C(C#N)c2ncccc2[N+](=O)[O-])ccc1OCc1c(Cl)ccc(Cl)c1Cl 2331059524 LTIYOXCNUWEENQ-UHFFFAOYSA-N 490.730 6.602 50 10 JKGE CS(=O)(=O)Nc1ccc(C(O)=C(C#N)c2nc(-c3ccc(-c4ccccc4)cc3)cs2)cc1 2331232018 ZYVLJGSBRFVRJN-UHFFFAOYSA-N 473.579 5.798 50 10 JKGE COc1ccc(Cl)cc1N1C[C@H](C(O)=C(C#N)c2nc(-c3ccc(F)cc3F)cs2)CC1=O 2331286573 LVXQLLSCIPISCR-GFCCVEGCSA-N 487.915 5.596 50 10 JKGE CC(C)Oc1ccc(C=C(C(O)=C(C#N)c2nc(-c3ccc(Cl)cc3)cs2)c2ccccc2)cc1 2331299166 BRMXJWRPQCHBEZ-UHFFFAOYSA-N 499.035 8.284 50 10 JKGE COc1ccc(C)cc1-c1csc(C(C#N)=C(O)[C@@H]2CC(=O)N([C@H](C)c3ccccc3)C2)n1 2331323639 NEPBSPWVVLHFBJ-IEBWSBKVSA-N 459.571 5.530 50 10 JKGE CC(C)[C@H](C(O)=C(C#N)c1nc(-c2ccc(C(C)(C)C)cc2)cs1)N1C(=O)c2ccccc2C1=O 2331331614 WAGFRPATHVDMRC-HSZRJFAPSA-N 485.609 6.221 50 10 JKGE COc1ccc(OCC(O)=C(C#N)c2nc(-c3ccc(F)c(F)c3)cs2)c(C(C)(C)C)c1 2331351869 IPTBTTQXMUONTD-UHFFFAOYSA-N 456.514 6.266 50 10 JKGE CCCOc1c(C=C(C#N)c2nc(-c3cc(OC)c(Cl)cc3OC)cs2)cccc1OC 2331471102 MWIIRGNJZSVXGJ-UHFFFAOYSA-N 470.978 6.342 50 10 JKGE COc1cc(C)c(-c2csc(C(C#N)=Cc3cccc(OCc4ccccc4)c3)n2)cc1C 2331485680 RCKBCTBVDCLHLD-UHFFFAOYSA-N 452.579 7.079 50 10 JKGE Fc1c(Br)cc(Cl)c([C@H](Br)C[C@@H]2C[C@H]2C2CC2)c1Br 2337082118 HSLYPEKORXBIQE-XHNCKOQMSA-N 475.421 6.876 50 10 JKGE Clc1ccc(CN2CC[C@H](Br)CC23CCC3)cc1I 2337230048 OQLGMJZKFJEKKP-LBPRGKRZSA-N 454.577 5.227 50 10 JKGE COc1c(Cl)cc(Br)cc1[C@@H](Br)c1c(Br)ncn1C 2337316492 CVQLYNDFCBBQPU-SECBINFHSA-N 473.390 5.091 50 10 JKGE COc1ccc(Oc2cc(Br)cc(I)c2)c(CBr)c1 2338884825 JSUJTOZCJUHMOR-UHFFFAOYSA-N 497.952 5.750 50 10 JKGE BrCC(CBr)(C[C@@H]1C[C@@H]2CC[C@H]1O2)c1ccccc1Br 2354997339 ARKFGNHVHSPILX-SLEUVZQESA-N 467.039 5.434 50 10 JKGE Fc1cc(Br)c(Br)cc1[C@@H](Br)[C@@H]1C[C@H]1C1CCOCC1 2358562083 MFUPCVMNYPGBQA-WMFXKJRFSA-N 471.002 5.849 50 10 JKGE Cc1cc([C@H](Br)c2c(F)cc(Cl)c(Br)c2Cl)ccc1Cl 2360423096 KTUTZMZIUPSFBG-LBPRGKRZSA-N 461.383 7.341 50 10 JKGE Fc1c(Br)cc(Cl)c([C@H](Br)C[C@@H]2CCC[C@@H]3C[C@@H]23)c1Br 2362228167 MMKMFIUGSWUGFG-UTINFBMNSA-N 489.448 7.266 50 10 JKGE Fc1c(Br)cc(Cl)c([C@@H](Br)[C@@H]2CCCC23CCC3)c1Br 2362235744 NGSUIQWQBYINLP-UFBFGSQYSA-N 489.448 7.411 50 10 JKGE COc1ccc(C[C@@H](Br)c2c(Cl)sc(Cl)c2Cl)c(Br)c1 2364261177 MMDVGGQWUCGJTI-SECBINFHSA-N 479.448 7.158 50 10 JKGE COc1c(Br)cc(C)c([C@@H](Br)[C@H]2CCCC2(F)F)c1Br 2365230419 IULXNIDVADJVBV-KCJUWKMLSA-N 476.981 6.400 50 10 JKGE CCc1cc(Br)c([C@@H](Br)CCc2cc(Cl)cc(Cl)c2)s1 2366791479 BJIVYRPOPDJDFM-ZDUSSCGKSA-N 457.058 7.449 50 10 JKGE CCOc1cc(Cl)c([C@@H](Br)c2csc(C)c2Br)cc1Cl 2369593119 CQJBYMDPXXXBQJ-CQSZACIVSA-N 459.030 7.009 50 10 JKGE CC(C)(C)OC(=O)N[C@@]12CCC(F)(F)C[C@@H]1CN(C[C@H](CBr)C(C)(C)C)C2 2370219689 LZOOHJNKTWCYBQ-ZRGWGRIASA-N 453.412 5.058 50 10 JKGE FC(F)(F)C1(CCOc2c(Br)cc(Br)cc2CBr)CC1 2370906494 VPRGUCWXBSQRBZ-UHFFFAOYSA-N 480.944 6.218 50 10 JKGE COc1ccc(/C=N/NC(=O)c2ccc(C(C)(C)C)cc2)cc1CN1CCCc2ccccc21 3064458 WIBIMBNQZPGKRP-NDZAJKAJSA-N 455.602 5.709 50 10 JKGE N#C/C(=C1\SC=C(c2ccc(Br)cc2)N1c1ccccc1)c1nc2ccccc2[nH]1 12340577 OLTLYUCQNANLDP-LYBHJNIJSA-N 471.383 6.770 50 10 JKGE CC(C)(C)c1cc(/C=N/NC(=O)CSc2ncc(Cl)cc2Cl)cc(C(C)(C)C)c1O 20468010 MKJKPPMICVCXSC-NSKAYECMSA-N 468.450 5.931 50 10 JKGE Cc1ccc(Cc2cnc(NC(=O)/C(C#N)=C\c3ccccc3OC(C)C)s2)cc1Cl 33285012 QUALWSCYDHKMSA-UNOMPAQXSA-N 451.979 6.029 50 10 JKGE Cc1ccc(NC(=O)/C(C#N)=C2/S[C@@H](Cc3ccccc3C)C(=O)N2c2ccc(F)cc2)cc1 33579301 KNJXXSVEJYVPOG-BSSRNLCFSA-N 471.557 5.508 50 10 JKGE CC(C)(CCl)C(=O)Nc1ccc([C@@H]2SCC(=O)N2c2ccc(C(F)(F)F)cc2)cc1 35926994 ROUVOMTXCJDHDZ-SFHVURJKSA-N 456.917 5.688 50 10 JKGE CC(C)(C)c1ccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4ccc([N+](=O)[O-])cc4)ccc32)cc1 38649737 CFRIWQVGXJEYPV-XMMPIXPASA-N 469.497 5.330 50 10 JKGE CCCCOc1ccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4ccccc4C)ccc32)cc1 38650747 HWJHHLOLUXHWHY-AREMUKBSSA-N 454.526 5.611 50 10 JKGE Cc1cc(C)cc(Oc2nc3ccccn3c(=O)c2/C=C(/C#N)C(=O)Nc2cc(C)ccc2C)c1 39858769 SGEKPFJRGQCFCW-QNGOZBTKSA-N 464.525 5.266 50 10 JKGE CCCCCOc1cccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)COc4cccc(C)c4)ccc32)c1 40529982 XTPCPLKKJBKVMZ-GDLZYMKVSA-N 498.579 5.767 50 10 JKGE COc1ccc(Cl)cc1NC(=O)c1oc2c(c1C)/C(=N/NC(=O)c1ccccc1Cl)CCC2 40812588 YKIUWHXSICRANP-OGLMXYFKSA-N 486.355 5.626 50 10 JKGE Cc1ccc(N/C=C(/C#N)c2nc(-c3ccc(Cl)c(Cl)c3)cs2)c(Br)c1 102420365 GNZFOZOKHWBNLN-LCYFTJDESA-N 465.203 7.164 50 10 JKGE N#C/C(=C/c1ccc(-c2ccc(Cl)c([N+](=O)[O-])c2)o1)C(=O)Nc1cccc(Br)c1 102958534 YCEWSFGVVIZDIP-JYRVWZFOSA-N 472.682 5.816 50 10 JKGE Cc1nc(CC(CBr)(CBr)c2cccc(Br)c2)sc1C 124372276 KSDYOQXBGOYXGI-UHFFFAOYSA-N 482.079 5.793 50 10 JKGE COc1ccc([C@@H](Br)c2c(F)cc(Br)cc2F)cc1Br 127638365 JNLZTNLUKGPCON-CQSZACIVSA-N 470.933 5.983 50 10 JKGE Fc1cccc(Cl)c1C[C@H](Br)c1cc(Br)c(Br)s1 128227166 ZBPFHDJBSJOSDB-ZETCQYMHSA-N 477.418 6.744 50 10 JKGE Brc1cc([C@@H](Br)c2ccc3ccccc3c2)sc1Br 128256947 FVBMKMFHSHWZMX-AWEZNQCLSA-N 461.016 6.911 50 10 JKGE COc1ccc([C@@H](Br)c2cc(Br)c(Br)s2)cc1Cl 128858888 AAEVVRUFNKPSJD-LLVKDONJSA-N 475.427 6.419 50 10 JKGE O=C1CCc2cc([C@H](Br)c3cc(Br)ccc3Br)ccc2N1 161083378 RRPPANCTWQBBPY-INIZCTEOSA-N 473.990 5.581 50 10 JKGE CCOc1cc(Cl)c([C@H](Br)c2c(F)cccc2Br)cc1Cl 161226818 VAAZNNRDXSQXFX-HNNXBMFYSA-N 456.964 6.778 50 10 JKGE N#C/C(=C/c1cc([N+](=O)[O-])ccc1OCC(=O)Nc1ccccc1)c1nc(-c2cccs2)cs1 214016577 DLGMQQUNFUVHSH-BOPFTXTBSA-N 488.550 5.861 50 10 JKGE CCCCc1ccc(NC(=O)/C(C#N)=C\N2CCN(C(c3ccccc3)c3ccccc3)CC2)cc1 217168199 NZNQNIZBIUYMAB-COOPMVRXSA-N 478.640 5.782 50 10 JKGE Cc1sc(Br)cc1[C@@H](Br)c1ccc(Br)cc1C(F)(F)F 229518587 ZPEXWGCEWRPKBC-LBPRGKRZSA-N 492.980 7.085 50 10 JKGE O=C(c1ccc(Br)cc1Br)N(CCBr)C1CCCCC1 232487263 FFUGBYBLFZYQMF-UHFFFAOYSA-N 468.027 5.381 50 10 JKGE Clc1sc([C@@H](Br)c2csc(Br)c2)cc1Br 236044079 JCQAEHGNMYVZSW-QMMMGPOBSA-N 451.430 6.472 50 10 JKGE CC(C)(C)c1ccc([C@@H]2C[C@@H]2C(=O)NN=Cc2ccc(-c3ccc(Cl)c(Cl)c3)o2)cc1 252614766 JMTPSXFSBCCNEQ-PMACEKPBSA-N 455.385 6.805 50 10 JKGE CCOc1ccccc1-c1cc(C(=O)NN=C(C)c2ccc(NC(=O)CC)cc2)c2ccccc2n1 252629606 UJVLIZYXRCMTEF-UHFFFAOYSA-N 480.568 5.803 50 10 JKGE Cc1ccc(Cn2c(SCC(=O)NN=Cc3ccccc3C(F)(F)F)nc3ccccc32)cc1 254772553 YWMJINNLEGFHJQ-UHFFFAOYSA-N 482.531 5.654 50 10 JKGE O=C(NN=Cc1ccc(OCc2ccccc2)c(OCc2ccccc2)c1)c1ccccc1F 254836946 YEBNHTNTVHIEQB-UHFFFAOYSA-N 454.501 5.748 50 10 JKGE C[C@]1(Cn2c(CCl)nc3cc(I)ccc32)CCN(Cc2ccccc2)C1 311549380 VVEPMYIFDSCPTI-NRFANRHFSA-N 479.793 5.292 50 10 JKGE O=C(NC[C@@H]1CCC[C@H](CBr)C1)c1scc(Br)c1Br 705420408 RVZKRZYDKWHWFS-DTWKUNHWSA-N 474.056 5.204 50 10 JKGE Clc1cc(Br)c(OCc2cc(Br)cs2)c(CBr)c1 708076470 MMEJKZASQGXICY-UHFFFAOYSA-N 475.427 6.400 50 10 JKGE C[C@H](Cl)c1nc2cc(I)ccc2n1CC[C@@H]1CCN(Cc2ccccc2)C1 723936243 BHRMWZSXNJUGIE-WMZOPIPTSA-N 493.820 5.853 50 10 JKGE O=C(N[C@@H](CCBr)C1CCCC1)c1ccc(Br)cc1Br 725037376 MRNRKLWGKDVKFH-AWEZNQCLSA-N 468.027 5.285 50 10 JKGE CCOc1cc(/C=C(/C#N)C(=O)Nc2cccc(Cl)c2)ccc1OCc1cccc(Cl)c1 1084324877 OZLVBJHENIJMAH-ODLFYWEKSA-N 467.352 6.517 50 10 JKGE CCOc1cc(C=NNC(=O)C(=O)Nc2ccc(C)c(C)c2)ccc1OCc1ccc(Cl)cc1 1084392051 VBVHNZDMUXAQSC-UHFFFAOYSA-N 479.964 5.023 50 10 JKGE C=CCc1cc(C=NNC(=O)CC[C@@H](O)c2ccccc2)ccc1OCc1ccc2ccccc2c1 1084459949 NNOHQGHMCMJEEV-GDLZYMKVSA-N 478.592 6.111 50 10 JKGE N#C/C(=C/Nc1ccc(OC(F)(F)F)cc1)[C@@H]1C(=O)C=C[C@@H]1Nc1ccc(OC(F)(F)F)cc1 1088741853 QHYHQOYTPOBUQO-MFTGZBNMSA-N 483.368 5.539 50 10 JKGE Cc1cccc(COc2ccc(C=NNC(=O)CSc3nc(-c4ccccc4)cs3)cc2)c1 1772755145 POZDUGWGYNIDPO-UHFFFAOYSA-N 473.623 5.940 50 10 JKGE CC(C)(C)c1cc(SSc2cc(C(C)(C)C)c(O)cc2C(C)(C)C)c(C(C)(C)C)cc1O 1848439691 CIKYTUATSLCEKL-UHFFFAOYSA-N 474.776 9.087 50 10 JKGE N#CSc1ccc(NC(=O)Oc2ccc(CNC(=O)c3cc(Cl)cc(Cl)c3)cc2)cc1 1858911822 XZWWJEYBJJRKNS-UHFFFAOYSA-N 472.353 6.107 50 10 JKGE COc1ccc(OC)c([C@H]2C(C#N)=C(N)Oc3c2c(-c2ccccc2)nn3Cc2cc(C)ccc2C)c1 1865693183 SLFVMWNYVGFTED-SANMLTNESA-N 492.579 5.451 50 10 JKGE COc1ccc(-c2nn(-c3ccccc3Cl)c3c2[C@@H](c2cccs2)C(C#N)=C(N)O3)cc1 1865697945 GLJZGRNRPCSSDG-HXUWFJFHSA-N 460.946 5.481 50 10 JKGE N#CC1=C(N)Oc2c(c(-c3ccccc3)nn2-c2ccc(Cl)cc2)[C@@H]1c1ccc(F)cc1F 1865702425 VJWORYWPISTPLR-OAQYLSRUSA-N 460.871 5.689 50 10 JKGE Cc1nn(-c2ccccc2)c2c1[C@@H](c1ccc(OCc3ccccc3Cl)cc1)C(C#N)=C(N)O2 1865703535 AOVJWOJSNOWEEY-VWLOTQADSA-N 468.944 5.631 50 10 JKGE CCc1nn(-c2ccc(C)cc2)c2c1[C@H](c1ccc(OCc3ccccc3Cl)cc1)C(C#N)=C(N)O2 1865704092 MWZASYXIUCDNQO-AREMUKBSSA-N 496.998 6.194 50 10 JKGE CCOC(=O)c1c(NC(=O)/C(C#N)=C/c2cccc(Cl)c2)sc(C)c1-c1ccc(Cl)cc1 1866129805 MITKTZCSZBPRTQ-GZTJUZNOSA-N 485.392 6.753 50 10 JKGE N#CSc1ccc(Nc2cc(N3CCc4ccc([N+](=O)[O-])cc43)nc(-c3ccccc3)n2)cc1 1868365754 WMNZWPQMHMQDFX-UHFFFAOYSA-N 466.526 6.063 50 10 JKGE COc1cccc(/C=C2\Oc3cc(OCc4cccc(CCl)c4)cc(C)c3C2=O)c1OC 1871436940 DHGLEBOUFTXGPC-FMCGGJTJSA-N 450.918 5.946 50 10 JKGE COC(=O)c1ccc2c(O)nc(/C(C#N)=C/c3ccc(OCc4ccc(C)cc4)cc3)nc2c1 1872727611 NRXQCNIMKDRNIP-FYJGNVAPSA-N 451.482 5.074 50 10 JKGE COc1ccc(-c2csc(/C(C#N)=C(\O)c3c(Cl)ccc(Cl)c3Cl)n2)cc1OC 1872745149 CGTAZXTYNYUXHD-ODLFYWEKSA-N 467.761 6.737 50 10 JKGE COc1ccc(C(C)(C)C)cc1-c1csc(/C(C#N)=C(\O)CNC(=O)c2ccc(Cl)cc2)n1 1872751313 BJDYSGAGVKFADC-VZCXRCSSSA-N 482.005 5.992 50 10 JKGE CS(=O)(=O)Nc1ccc(/C(O)=C(\C#N)c2nc(-c3ccc(Oc4ccccc4)cc3)cs2)cc1 1872753953 VWJNMZLZIKZAAI-GYHWCHFESA-N 489.578 5.924 50 10 JKGE COc1cc(-c2csc(/C(C#N)=C(\O)c3ccc(Cl)cc3[N+](=O)[O-])n2)c(OC)cc1Cl 1872756261 GRWMWUFAKSTCEW-UYRXBGFRSA-N 478.313 5.992 50 10 JKGE COc1cc(Cl)c(C)cc1-c1csc(/C(C#N)=C(\O)[C@H]2CC(=O)N([C@H](C)c3ccccc3)C2)n1 1872756979 LCTMCTCGEITOHK-NVJGZOQRSA-N 494.016 6.183 50 10 JKGE CCCOc1ccc(-c2csc(/C(C#N)=C/c3ccc(OC)cc3OC)n2)cc1OCCC 1872790108 LMTWFZGWMWDKDG-DEDYPNTBSA-N 464.587 6.469 50 10 JKGE CC[C@@H](Br)CN(Cc1ccccc1)S(=O)(=O)c1cccc(C(F)(F)F)c1 1915078810 VDXLCAAQWVHXBI-MRXNPFEDSA-N 450.320 5.070 50 10 JKGE CC[C@H](Cl)CN(Cc1ccccc1)S(=O)(=O)c1ccc(Cl)c(Br)c1 1915106008 PDDVNHOCTMXXIP-AWEZNQCLSA-N 451.213 5.311 50 10 JKGE O=C(c1ccc(F)cc1I)N(Cc1ccccc1)[C@@H](CCl)C1CC1 1915158780 HKNIVIKNUUPXEZ-SFHVURJKSA-N 457.714 5.090 50 10 JKGE Cc1cc(Br)c(C(=O)N(Cc2ccccc2)[C@H](CBr)C(C)C)cc1Cl 1915321320 CJSQYIRHDCQYOR-LJQANCHMSA-N 487.663 6.473 50 10 JKGE Cc1cc(Br)c([C@H](Br)c2cc(F)cc(Cl)c2)cc1Br 1918778807 YTMVGTQYKNWXOD-CQSZACIVSA-N 471.389 6.797 50 10 JKGE Fc1ccc(C(F)(F)F)cc1[C@@H](Cl)c1sc(Br)cc1Br 1922879374 ACKGRMSOYWQHTP-SNVBAGLBSA-N 452.492 6.759 50 10 JKGE Cc1c(Br)sc([C@H](Br)[C@H]2COc3ccccc3O2)c1Br 1922883090 ODSSQNBHSBHXEL-ZYHUDNBSSA-N 483.019 5.858 50 10 JKGE Fc1ccc([C@@H](Cl)c2sc(Br)cc2Br)cc1Br 1922944455 YXRKMPULKMSWHA-SNVBAGLBSA-N 463.391 6.503 50 10 JKGE Cc1scc([C@@H](Br)c2c(Br)sc(Br)c2Cl)c1C 1923050455 VKTRXPKIUZGKGJ-MRVPVSSYSA-N 479.484 7.089 50 10 JKGE Cl[C@@H](Cc1ncccc1Br)c1scc(Br)c1Br 1924868478 BKUIQVQFKRIJHL-QMMMGPOBSA-N 460.416 5.953 50 10 JKGE O=C(N[C@@H](CCCCCC[C@@H]1CCSS1)C(=O)O)OCC1c2ccccc2-c2ccccc21 1951392517 GRUIXWSUZQOQBS-KOSHJBKYSA-N 485.671 6.473 50 10 JKGE CC(C)(CCCC[C@H]1CCSS1)[C@@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)O 1952498188 MUIXUSRPYUCUCM-UUOWRZLLSA-N 499.698 6.719 50 10 JKGE BrC1CC(CNCc2ccc(OCc3ccccc3)c(OCc3ccccc3)c2)C1 1991508248 IBRHEVCJVDIABY-UHFFFAOYSA-N 466.419 6.108 50 10 JKGE Cc1sc(Br)cc1[C@H](Br)c1ccc(F)c(Br)c1F 2034554287 DERSXIDPQTZCJC-SNVBAGLBSA-N 460.963 6.344 50 10 JKGE Fc1cc(Br)c(Cl)cc1[C@H](Br)c1scc(Cl)c1Cl 2035093215 FXXAZAMHPQSKTN-VIFPVBQESA-N 453.385 7.094 50 10 JKGE FC1(F)C[C@]12CC[C@@H]([C@H](Br)c1sc(Br)cc1Br)C2 2038549040 LDWSWNTXJUGNGN-OUAIYISWSA-N 464.995 6.535 50 10 JKGE Cc1c(Br)sc([C@H](Br)[C@@H]2CCC[C@@H](C)CC2)c1Br 2039360609 UTDGGMVTMFZYAQ-HLUHBDAQSA-N 459.085 7.234 50 10 JKGE Cc1cccc(C(C#N)=Cc2c(-c3ccc(Cl)cc3Cl)nc3sc4c(n23)CCCC4)c1 2040742185 OUADHQMHFFPBQS-UHFFFAOYSA-N 464.421 7.621 50 10 JKGE Cc1c(Br)sc([C@@H](Br)[C@@]2(C)CCCC2(F)F)c1Br 2048971928 VZZFVHTWVNVCGU-MWLCHTKSSA-N 467.011 6.843 50 10 JKGE Cc1nc([C@H](Br)[C@H](C)c2ccncc2Br)c(Br)s1 2050331630 PHJQJNLQGHKURV-LHLIQPBNSA-N 455.013 5.611 50 10 JKGE CN(c1cc(Br)cc(F)c1CBr)C1CCN(Cc2ccccc2)CC1 2051132241 XAWOUSTVUPELNX-UHFFFAOYSA-N 470.224 5.584 50 10 JKGE Cc1c(Br)ccc([C@H](Br)C[C@H](C)C(F)(F)F)c1Br 2083323529 XGPZFGCGFHGEEX-QUBYGPBYSA-N 452.934 6.545 50 10 JKGE Fc1cccc([C@H](Cl)c2ccc(Br)cc2Br)c1Br 2083331275 XMNIFLQADDDBAC-CYBMUJFWSA-N 457.362 6.441 50 10 JKGE CCc1sc(Br)cc1[C@@H](Br)c1cc(Br)ccc1OC 2090681667 OYJJVLMJGSXPRC-AWEZNQCLSA-N 469.036 6.328 50 10 JKGE FC1(F)CN(Cc2cccc(Br)c2Br)CC[C@H]1CBr 2092330431 JCAGDERPNMAILU-JTQLQIEISA-N 461.970 5.064 50 10 JKGE Cc1c(Br)sc([C@H](Br)[C@H]2CC[C@]3(C2)CC3(F)F)c1Br 2099915056 JQTHJLLERDYUJH-VMAXQDLPSA-N 479.022 6.843 50 10 JKGE Cc1cc(Br)c(C)c([C@H](Br)[C@@H]2C[C@H]2C(C)(C)C)c1Br 2136366089 DUGILGGAQAFPQA-UEKVPHQBSA-N 453.056 6.947 50 10 JKGE Cc1cc(Br)c(C)c([C@@H](Br)C(F)(F)CC2CC2)c1Br 2136374840 POBXOFZXURFDME-CYBMUJFWSA-N 460.982 6.700 50 10 JKGE Cc1c(Br)ccc([C@@H](Br)C2(CC3CCC3)CC2)c1Br 2138850964 NYINMZSSEFWNCM-OAHLLOKOSA-N 451.040 6.926 50 10 JKGE Cc1c(Br)ccc([C@H](Br)C2(C(C)(C)C)CCC2)c1Br 2138853143 VBQOYAMRMZDBGB-AWEZNQCLSA-N 453.056 7.172 50 10 JKGE CCC[C@H]1CC[C@H]([C@H](Br)c2ccc(Br)cc2Br)CC1 2138875884 KGKGRONRUAGUOG-MKBNYLNASA-N 453.056 7.254 50 10 JKGE Cc1cc([C@@H](Cl)c2cc(Cl)c(Br)cc2F)ccc1I 2142139910 CKUAILZPVOHXFX-CQSZACIVSA-N 473.938 6.483 50 10 JKGE O=C1Cc2cc([C@@H](Br)c3cc(Cl)c(Cl)s3)c(Br)cc2N1 2156050199 LENFPMPVOJMYDP-GFCCVEGCSA-N 455.986 5.796 50 10 JKGE CC(C)(C)[C@@]1(CBr)CCN(Cc2cc(Cl)ccc2I)C1 2160931882 NJFOXOWIEZEBLE-MRXNPFEDSA-N 470.620 5.578 50 10 JKGE FC1(CC(CBr)(CBr)c2ccc(Br)cc2)CCCCC1 2165908900 OLZCXJJJPRSSPF-UHFFFAOYSA-N 471.046 6.539 50 10 JKGE ClCc1nc2cc(Cl)c(Br)cc2n1[C@@H]1CCCN(Cc2ccccc2)CC1 2168999881 YUVKTUGWAYZXKN-MRXNPFEDSA-N 467.238 6.418 50 10 JKGE ClCc1nc2cc(Cl)c(Br)cc2n1C[C@@H]1CN(Cc2ccccc2)CCO1 2169016041 VITMPKYYQPHWNW-HNNXBMFYSA-N 469.210 5.092 50 10 JKGE FC1(F)CCOC[C@@H]1COc1c(Br)cc(Br)cc1CBr 2170266132 DUOJWOKHJRQMMP-SECBINFHSA-N 478.953 5.157 50 10 JKGE Cc1cc([C@H](Br)c2cc(Br)cc(C(F)(F)F)c2)sc1Br 2172413226 VJKMWKCTQKFEDW-LLVKDONJSA-N 492.980 7.085 50 10 JKGE C[C@@H](Cl)CCCc1cn(-c2c(Br)cc(Br)cc2Br)nn1 2189279761 QAEMBMDXKPXXNM-MRVPVSSYSA-N 486.433 5.505 50 10 JKGE CSc1ccc([C@@H](Br)c2c(C)c(Br)cc(C)c2Br)cc1 2201072742 VTISCRLSQZVFNE-MRXNPFEDSA-N 479.075 7.035 50 10 JKGE COc1cc([C@H](Br)c2cc(Br)c(Cl)cc2C)ccc1Br 2202350284 CUAJLEBRWPGAMS-HNNXBMFYSA-N 483.425 6.666 50 10 JKGE FC(F)(F)c1cccc([C@H](Br)c2ccc(Br)cc2Br)c1 2203685238 JPVKIXHNYCXUQP-ZDUSSCGKSA-N 472.924 6.715 50 10 JKGE FC(F)(F)[C@@H]1OC2([C@@H](Br)c3ccc(Br)cc3Br)CC1C2 2203702749 IAWUBDNBDQZKJK-XFPSLROISA-N 478.928 5.758 50 10 JKGE CC(C)(C)OC(=O)Nc1ccc([S@](C)(=O)=NCCCCCI)cc1 2214704256 BCBNLDKAAOBONH-DEOSSOPVSA-N 466.385 5.096 50 10 JKGE Clc1cc(Br)c([C@@H](Cl)c2occc2Br)c(Cl)c1Cl 2217609690 BEZBEUJHDAZFJR-SNVBAGLBSA-N 453.772 7.093 50 10 JKGE Clc1cc(Br)c([C@H](Cl)c2cscc2Br)c(Cl)c1Cl 2217609906 DEJALZDRZSJLGJ-SECBINFHSA-N 469.840 7.562 50 10 JKGE Cc1sc(Br)c(C)c1[C@H](Cl)c1c(Br)cccc1Br 2218799812 WXLAAXYYMYAQRG-LBPRGKRZSA-N 473.455 6.981 50 10 JKGE Cc1cc(Br)c([C@H](Br)[C@H]2CC[C@@H]2C(F)(F)F)cc1Br 2224375518 MWUZVGMTEAGYHU-QOSJWCAFSA-N 464.945 6.545 50 10 JKGE C[C@@H](Cl)c1nc2c(Br)cccc2n1C[C@@H]1CC1(Br)Br 2224804969 LVWGJDZAVYPGBM-SFYZADRCSA-N 471.418 5.605 50 10 JKGE COC1(C[C@@H](Br)c2cc(Br)c(Br)cc2F)CCCC1 2225614893 AMJGYWQXDUFSIY-GFCCVEGCSA-N 458.991 6.136 50 10 JKGE Cc1c(Br)sc([C@@H](Br)c2c(F)cc(Br)cc2F)c1C 2225850078 WCJVZVNENMREDW-NSHDSACASA-N 474.990 6.652 50 10 JKGE Cc1cc(Br)c([C@@H](Br)[C@@H]2CCCC2(F)F)c(C)c1Br 2227354226 WJABVCWIOPWFNF-ZANVPECISA-N 460.982 6.700 50 10 JKGE Fc1cc(Br)ccc1[C@H](Br)Cc1ccc(Br)cc1Cl 2229154661 XMPHKAIUSMVOTL-GFCCVEGCSA-N 471.389 6.683 50 10 JKGE Clc1cc(Cl)cc(C[C@@H](Br)c2cccc(Br)c2Br)c1 2232132811 BOHSKFWPPGRKAB-CYBMUJFWSA-N 487.844 7.197 50 10 JKGE CC(C)[C@@H]1CCC[C@@H]1[C@@H](Br)c1c(Br)cc(Cl)c(Cl)c1Cl 2232509935 FMESMSJUDZUDRE-MWODSPESSA-N 463.468 7.918 50 10 JKGE CCCN[C@@H](c1c(Br)cc(Cl)c(Cl)c1Cl)[C@H]1C[C@@H](Br)C1 2232525875 FHLWZFSVJSAPNU-CYVIZDSUSA-N 464.456 6.624 50 10 JKGE Fc1cc(Br)cc2c1nc(CCCl)n2C[C@@H]1CCCN1Cc1ccccc1 2232923715 PQSIIHFXYLCUOD-KRWDZBQOSA-N 450.783 5.384 50 10 JKGE CCOCc1cc(Br)c([C@H](Cl)c2c(Br)sc(C)c2C)s1 2233021579 YKISOCKBPBNJPY-GFCCVEGCSA-N 458.668 6.816 50 10 JKGE Fc1cc(Br)c(Br)cc1[C@H](Br)[C@@H]1C(F)(F)C12CCCC2 2233981851 NWQQLSFAANELAV-RYUDHWBXSA-N 476.956 6.612 50 10 JKGE Cc1sc([C@@H](Cl)c2c(Br)cc(Cl)c(Cl)c2Cl)c(C)c1Br 2234469616 IMYHNEAPTPFMNP-LBPRGKRZSA-N 497.894 8.178 50 10 JKGE CCOc1ccc([C@H](Br)c2sc(C)c(Br)c2C)cc1Br 2234471408 RTQLKZJSZXRHQS-AWEZNQCLSA-N 483.063 6.773 50 10 JKGE COC12CCC([C@H](Br)c3ccc(Br)c(C)c3Br)(CC1)C2 2240270216 CIPROHNTUPIQLT-QQFBHYJXSA-N 467.039 6.305 50 10 JKGE CCc1ccc([C@H](Br)Cc2cc(Br)cc(Br)c2)s1 2263446748 QUFHHPLADBRAQP-CYBMUJFWSA-N 453.037 6.514 50 10 JKGE Fc1cc([C@H](Br)c2cc3sc(Br)cc3s2)ccc1Br 2278019693 JNZGEGKSEYGKLK-ZDUSSCGKSA-N 485.035 7.111 50 10 JKGE Fc1cc([C@H](Br)c2c(F)cccc2I)c(F)c(F)c1F 2282893126 HMABVRKRFLECBX-JTQLQIEISA-N 462.981 5.471 50 10 JKGE C=CC[C@@]1(CBr)CCCN(Cc2ccc(I)c(Cl)c2)C1 2287719307 WQPBWZILFDVZII-INIZCTEOSA-N 468.604 5.498 50 10 JKGE CC(C=CC=C(C)C=CC1=C(C)[C@H](OC(=O)CCCC[C@H]2CCSS2)CCC1(C)C)=CC=O 2294818752 SEJCKAPVVGUQFE-AZGAKELHSA-N 488.759 7.953 50 10 JKGE COc1ccc(Cl)cc1[C@@H](Br)c1cc2sc(Br)cc2s1 2295403141 SIXOLKXQKQIKRM-CQSZACIVSA-N 452.620 6.872 50 10 JKGE COc1cc(C=C(C#N)c2nc(-c3ccc(C)cc3)cs2)ccc1OCC(=O)c1ccccc1 2296789970 GBQNQRNYJNRVEO-UHFFFAOYSA-N 466.562 6.453 50 10 JKGE C[C@@H]1CCCC[C@H]1[C@H](Br)c1ccc(OCc2ccccc2)cc1Br 2299504898 RCXGGPWBFOFUBN-FPDPHYFHSA-N 452.230 7.290 50 10 JKGE CCN(C[C@](C)(CI)OC[C@](C)(CC)C(F)F)C(=O)OC(C)(C)C 2299749165 FXPYFOMFNNSDFS-IRXDYDNUSA-N 463.347 5.135 50 10 JKGE Clc1ccc(CO[C@@H]2CCCC[C@H]2I)c(I)c1 2301817711 JTLCVFYDGDRPNJ-DGCLKSJQSA-N 476.523 5.207 50 10 JKGE CC(C)N(Cc1ccc(I)c(Br)c1)C[C@H](C)Br 2306219329 KWKXUBVQTWAALE-JTQLQIEISA-N 475.006 5.048 50 10 JKGE CCc1ccccc1NC(=O)C(C#N)=Cc1cc(Br)ccc1OCc1cccc(C)c1 2313738891 WVMYVZRLMZHHDY-UHFFFAOYSA-N 475.386 6.445 50 10 JKGE C=CCNC(=O)C(C#N)=C1S[C@@H](Cc2ccc(C(C)C)cc2)C(=O)N1c1ccc(CC)cc1 2314593480 NNWTYPCQSWNPQJ-DEOSSOPVSA-N 459.615 5.101 50 10 JKGE CC1=C(C#N)C(=O)N(Cc2ccc(C)cc2)C(=O)C1=Cc1ccc(-c2cccc(Cl)c2Cl)o1 2314617177 SDODLPCCHXOKPL-UHFFFAOYSA-N 477.347 6.354 50 10 JKGE CCC(CC)C[C@H](Br)c1c(Cl)cc(Br)c(F)c1Br 2315442064 OXKPESHBFXNZTF-QMMMGPOBSA-N 465.426 7.266 50 10 JKGE Cc1sc(C)c([C@H](Br)c2ccc(Cl)cc2I)c1C 2317778322 MORLGYFIXPUYSE-CQSZACIVSA-N 455.586 6.416 50 10 JKGE CCN(CC)S(=O)(=O)c1ccc(C(=O)Oc2cccc(C=C(C#N)c3ccc(Cl)cc3)c2)cc1 2320511392 SJZOBHDGOVMJPP-UHFFFAOYSA-N 495.000 5.654 50 10 JKGE BrC[C@H]1CCCCN(Cc2ccc(I)c(Br)c2)C1 2325222622 LTRNTZGBQCZZHN-GFCCVEGCSA-N 487.017 5.051 50 10 JKGE Cc1cc(C)c(C)c(-c2csc(C(C#N)=C(O)CCCOc3cc(C)c(Cl)c(C)c3)n2)c1C 2331366251 FMRHPHXXXYOVLM-UHFFFAOYSA-N 481.061 7.966 50 10 JKGE COc1ccc(OC)c(C=CC(O)=C(C#N)c2nc(-c3cc(OC)c(Cl)cc3OC)cs2)c1 2331376928 LCQDWEMSNAAIPL-UHFFFAOYSA-N 484.961 6.004 50 10 JKGE CCOc1ccc(-c2csc(C(C#N)=C(O)c3cc4ccccc4oc3=O)n2)c(OCC)c1 2331388974 BWSQPUANEHIMHB-UHFFFAOYSA-N 460.511 5.664 50 10 JKGE Brc1ccc(OCc2ccccc2)c([C@@H](Br)[C@H]2Cc3ccccc3O2)c1 2336048738 WYDFXSDPCCNKRN-FGZHOGPDSA-N 474.192 6.468 50 10 JKGE CC[C@@H](c1ccccc1)[C@H](Br)c1cc(Br)ccc1OCc1ccccc1 2336049121 ZWQHCYMOLLHDBK-REWPJTCUSA-N 474.236 7.658 50 10 JKGE Fc1c(Br)cc(Cl)c([C@H](Br)[C@@H]2C[C@H]3CCC[C@@H]32)c1Br 2337102071 BMFHKEYSFQIGRK-BSFVXNEUSA-N 475.421 6.876 50 10 JKGE Fc1c(Br)cc(Cl)c([C@@H](Br)C[C@@H]2C[C@H]2C2CC2)c1Br 2337103089 HSLYPEKORXBIQE-CIUDSAMLSA-N 475.421 6.876 50 10 JKGE CN(Cc1ccc(Cl)c(I)c1)[C@@H]1CCCCC[C@@H]1Br 2337228921 CLPJPYXHHQFTSU-SWLSCSKDSA-N 456.593 5.473 50 10 JKGE FC(F)(F)C12CC([C@@H](Br)c3cc(Br)sc3Br)(CO1)C2 2338578100 KIMOXAGFFZOYDP-WFRXLMHJSA-N 484.957 5.821 50 10 JKGE Cc1cc(CCl)cnc1OCc1cc(I)ccc1Br 2341780654 QMPHOSMFKLYREH-UHFFFAOYSA-N 452.517 5.075 50 10 JKGE Cc1ccc(CBr)cc1OCc1cc(I)ccc1Cl 2352351217 SOKYAFYXYLCFJW-UHFFFAOYSA-N 451.529 5.727 50 10 JKGE Fc1cc(Cl)c(Br)c(Cl)c1[C@@H](Br)c1cc2sccc2s1 2360426458 LNRFMXYQBCCTLE-LBPRGKRZSA-N 475.029 7.656 50 10 JKGE FC(F)Oc1cccc([C@H](Cl)c2cc(Br)ccc2OCc2ccccc2)c1 2361179274 UWWMGLYEFFZJJN-FQEVSTJZSA-N 453.710 6.958 50 10 JKGE CC(C)Cc1ccccc1[C@@H](Br)c1cc(Br)ccc1OCc1ccccc1 2361193815 COJMGCKEHBIEHX-XMMPIXPASA-N 488.263 7.711 50 10 JKGE COc1ccccc1[C@@H](Br)c1c(C)cc(Br)c(F)c1Br 2365178105 HJBOLQCDDJJIHE-CYBMUJFWSA-N 466.970 6.152 50 10 JKGE Cc1ccc(C[C@H](Br)c2c(C)cc(Br)c(F)c2Br)cc1 2365178645 KRFTVGOECVIKBI-LBPRGKRZSA-N 464.998 6.646 50 10 JKGE Cc1cc(Br)c(F)c(Br)c1[C@H](Br)C1(C)CC2(CCC2)C1 2365194420 QRYWCAZRJBUKHP-AWEZNQCLSA-N 469.030 7.066 50 10 JKGE Cc1cc(Br)c(F)c(Br)c1[C@H](Br)C1(C)CCCCCC1 2365225492 KBJSVVYTNHVONM-HNNXBMFYSA-N 471.046 7.456 50 10 JKGE CN(Cc1c(Br)cccc1Br)c1ccc(Cl)cc1CBr 2366160607 JWGQTZFYEIIRSF-UHFFFAOYSA-N 482.441 6.396 50 10 JKGE COC1(C(F)F)CC([C@@H](Br)c2cc(Br)c(C)cc2Br)C1 2368974775 HEAIAXKJCVBZGD-YEMQSEFVSA-N 476.981 6.016 50 10 JKGE C[C@@H](Cl)c1nc2cc(Br)ccc2n1-c1ccccc1I 36910587 AJHCQHSTHIZHQM-SECBINFHSA-N 461.528 5.692 50 10 JKGE CCCCOc1ccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4ccc(OC)cc4)ccc32)cc1 38650752 GKZIHVPDAFHACD-SANMLTNESA-N 470.525 5.311 50 10 JKGE COc1cc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)Cc4ccccc4)ccc32)ccc1OCCC(C)C 38660417 XKYIUXZKZCZSQA-LJAQVGFWSA-N 498.579 5.486 50 10 JKGE Cc1c(C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@@H]3c2ccc(Cl)cc2)oc2ccc(Cl)cc12 38687782 CELDASUTCUAQMF-HSZRJFAPSA-N 491.330 6.485 50 10 JKGE Cc1c(C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@@H]3c2c(Cl)cccc2Cl)oc2ccccc12 38700550 TXOCRVNVVRCQOJ-JOCHJYFZSA-N 491.330 6.485 50 10 JKGE N#C/C(=C\c1c(Oc2ccccc2F)nc2ccccn2c1=O)C(=O)Nc1cccc(C(F)(F)F)c1 39992985 BSFODKYHBUNYJS-NTCAYCPXSA-N 494.404 5.190 50 10 JKGE C=CCOc1cccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)Cc4ccc(Cl)cc4)ccc32)c1 40529930 LGQVPKYXVGAVDL-SANMLTNESA-N 472.928 5.271 50 10 JKGE COc1cc(/C=N/NC(=O)COc2ccc(C(C)(C)C)cc2)ccc1OCc1ccccc1Cl 40911090 BCJQQJFGXUZLOO-MUFRIFMGSA-N 480.992 5.754 50 10 JKGE N#C/C(=C/c1ccc(OCc2ccc(Cl)cc2Cl)cc1)C(=O)Nc1ccc(Cl)c(Cl)c1 59117587 GJDAMABQWPZARK-SXGWCWSVSA-N 492.189 7.425 50 10 JKGE C[C@@H](SCc1ccccc1)C(=O)N/N=C1/C(=O)N(Cc2cccc3ccccc23)c2ccccc21 59161405 XYORGCOYLUPYIY-OBRWKJFBSA-N 479.605 5.529 50 10 JKGE Cc1ccc(COc2ccc(Br)cc2/C=C(/C#N)C(=O)Nc2ccccc2C)cc1 59201520 XMZZVNIPGMFGBB-BKUYFWCQSA-N 461.359 6.191 50 10 JKGE FC(F)(F)[C@@H](Br)COc1c(I)cc(Cl)c2cccnc12 69394261 AMHDEXNDHASNRG-VIFPVBQESA-N 480.449 5.197 50 10 JKGE N#C/C(=C/c1ccc(COc2ccc(C#N)cc2)o1)C(=O)Nc1cc(C(F)(F)F)ccc1Cl 96438289 NRAUZTCXZWKXBC-DHDCSXOGSA-N 471.822 5.948 50 10 JKGE Cc1ccc(C(C)C)c(OCCn2cc(/C=C(/C#N)C(=O)NCc3ccco3)c3ccccc32)c1 96577078 DWIZRVFIWXTTQQ-JWGURIENSA-N 467.569 5.969 50 10 JKGE Fc1ccc(Br)c(C[C@@H](CBr)Cc2ccccc2Br)c1 97186064 ZYNVTKZUXCBOMI-NSHDSACASA-N 464.998 6.147 50 10 JKGE CCCCCCCCCCCCCCCCNc1ncnc(NNC(=O)c2ccccc2C)c1N 101531791 BDXKKAVDXJNVCZ-UHFFFAOYSA-N 482.717 7.017 50 10 JKGE COc1ccc(Br)cc1[C@H](Br)c1cccc(I)c1 109834887 JWVRPBAEOYETEK-CQSZACIVSA-N 481.953 5.547 50 10 JKGE CC(C)c1ccc([C@H](Br)c2cccc(I)c2)c(C(C)C)c1 109857265 KHSXQUPDNLZYAQ-LJQANCHMSA-N 457.193 7.022 50 10 JKGE Fc1ccc([C@H](Br)c2c(F)cc(Br)cc2F)cc1Br 122341590 WUMQPWOVVLIOBQ-ZDUSSCGKSA-N 458.897 6.113 50 10 JKGE O=C(NC[C@@H]1CCCC[C@@H]1CBr)c1cc(Br)ccc1Br 161228454 UYOQFZILCCQTTL-MNOVXSKESA-N 468.027 5.143 50 10 JKGE COc1ccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)/C=C\c4ccc(C(C)(C)C)cc4)ccc32)cc1 205641991 PXPFPCGKQQEMAE-FSWZZDKQSA-N 480.564 5.830 50 10 JKGE N#C/C(=C/Nc1cc(C(F)(F)F)cc(C(F)(F)F)c1)C(=O)Nc1cc(Cl)ccc1Cl 217135221 GXWPEWUQNQRFPL-HJWRWDBZSA-N 468.184 6.489 50 10 JKGE COc1ccc(Oc2ccc(CBr)c(Br)c2)c(Br)c1 234983866 ZFGQQKDFDGEAGF-UHFFFAOYSA-N 450.952 5.907 50 10 JKGE C[C@H]1CCC[C@](CBr)(NC(=O)c2ccc(Br)cc2Br)C1 235629005 SAPAWEPBBGQVCW-BONVTDFDSA-N 468.027 5.285 50 10 JKGE Cc1ccc([C@@H](Br)c2cc(I)ccc2Br)s1 235922507 PWUZWZKEZGGCKY-LBPRGKRZSA-N 471.983 5.908 50 10 JKGE Clc1ccc(C[C@H](Cl)c2cc(Br)ccc2I)cc1 236019032 VHLYQVYXYWIBBY-ZDUSSCGKSA-N 455.948 6.230 50 10 JKGE C[C@H](Oc1cccc(Cl)c1)C(=O)NN=Cc1cccc(OCc2cccc(Br)c2)c1 252638547 YDXPDIREABZDRS-INIZCTEOSA-N 487.781 5.599 50 10 JKGE O=C(CNc1cccc(Cl)c1)NN=Cc1ccccc1OCc1ccc(Br)cc1 253495714 OQDUZNZAZBGCAY-UHFFFAOYSA-N 472.770 5.244 50 10 JKGE CCCCCCCCCCCC(=O)NCC(=O)NN=Cc1ccc(OC(=O)c2ccc(C)cc2)cc1 254381318 LFWFHRQBMPNJLE-UHFFFAOYSA-N 493.648 5.701 50 10 JKGE Cc1ccc(C(=O)Oc2ccc3ccccc3c2C=NNC(=O)COc2ccc(C)c(C)c2)cc1 254392496 NSWHKVFFGRWCSD-UHFFFAOYSA-N 466.537 5.513 50 10 JKGE CCCCCCCCCC(=O)NN=Cc1ccc(OC(=O)c2ccc(OCC)cc2)c(OCC)c1 254488926 SCHJTWSGPZMLLE-UHFFFAOYSA-N 482.621 6.294 50 10 JKGE O=C(N=C1N=CC(=NN(C(=O)c2ccccc2)c2cccc(C(F)(F)F)c2)S1)c1ccccc1 254592944 IYSDIYPNDVFIGA-UHFFFAOYSA-N 480.471 5.680 50 10 JKGE Cc1cccc([C@H](Br)c2cc(F)c(Br)cc2F)c1Br 300465393 AQIIMRYKVWKURJ-AWEZNQCLSA-N 454.934 6.283 50 10 JKGE CC[C@@H]1CCC[C@H](O[C@](C)(CI)CN(CC)C(=O)OC(C)(C)C)C1 303741485 OQBAOLNPKWYSGY-JTDSTZFVSA-N 453.405 5.423 50 10 JKGE C[C@@H](CCn1c(CCCl)nc2cc(I)c(F)cc21)N(C)Cc1ccccc1 379610058 OTFLBQNIIKDMTC-HNNXBMFYSA-N 499.799 5.472 50 10 JKGE Fc1cc2nc(CCCl)n(CCCN(Cc3ccccc3)Cc3ccccc3)c2cc1F 390471303 HJQYNCAEZKZERR-UHFFFAOYSA-N 453.964 6.188 50 10 JKGE CC(C)(C)C[C@H](CBr)NC(=O)c1cc(Br)cc(Br)c1 393460872 FZBFHMZOKHISMV-GFCCVEGCSA-N 456.016 5.141 50 10 JKGE CC(C)(C)OC(=O)Nc1ccccc1[C@H]1COCCN(CCO[Si](C)(C)C(C)(C)C)C1 616663072 HVPQEHBXVBIYRR-LJQANCHMSA-N 450.696 5.471 50 10 JKGE CN(C(=O)c1cc(Br)sc1Br)[C@H](CBr)C(C)(C)C 689204729 CPIVFJSYERYFMJ-MRVPVSSYSA-N 462.045 5.155 50 10 JKGE CC(C)OCCCC(CBr)(CBr)c1ccccc1Br 690595353 MMJYPEFGFXZFEJ-UHFFFAOYSA-N 457.044 5.682 50 10 JKGE Fc1ccc([C@H](Br)c2ccc(Br)c(Cl)c2)c(F)c1Br 691632959 CBFXBTXTVSWGDE-LLVKDONJSA-N 475.352 6.628 50 10 JKGE COc1cc(F)c([C@@H](Br)c2scc(Br)c2Br)c(F)c1 705463377 IUDNGXLGGMSUQV-LLVKDONJSA-N 476.962 6.044 50 10 JKGE Fc1ccc(C[C@@H](Br)c2scc(Br)c2Br)c(F)c1 705489069 BMMHQOTUHRENQN-MRVPVSSYSA-N 460.963 6.230 50 10 JKGE Cn1cc(CC(CBr)(CBr)c2cccc(Cl)c2)c(Br)n1 714089557 PLIVIPTZMKINHQ-UHFFFAOYSA-N 485.445 5.106 50 10 JKGE O=C(OCC1c2ccccc2-c2ccccc21)N1CCOc2cccc(CBr)c2C1 725260582 TVRSUKBQTRDPQT-UHFFFAOYSA-N 464.359 5.725 50 10 JKGE Cc1ccc(Cl)cc1NC(=O)/C(C#N)=C\c1cn(Cc2ccc(Cl)cc2Cl)c2ccccc12 1084179193 KIZJSJAPGAAEAL-ZDLGFXPLSA-N 494.809 7.504 50 10 JKGE Cc1ccccc1C(=O)Nc1ccc(C(=O)NN=Cc2ccc(OCc3ccccc3)cc2)cc1 1084230576 MPFAJAYAUQMUSL-UHFFFAOYSA-N 463.537 5.590 50 10 JKGE CC(=NNC(=O)COc1c(C)cc(Br)cc1Br)c1ccc(Cl)cc1 1084370437 DXJHUJFQLGNECX-UHFFFAOYSA-N 474.580 5.093 50 10 JKGE O=C(NN=C(CSc1nc2ccccc2[nH]1)c1ccc([N+](=O)[O-])cc1)c1cccc(Cl)c1 1084485916 IHHMXAVNYDTNSQ-UHFFFAOYSA-N 465.922 5.051 50 10 JKGE O=C(CC[C@H](O)c1ccccc1)NN=Cc1cc(Cl)c(OCc2ccccc2Cl)c(Cl)c1 1084560027 MGTCMTZQCHSUHX-QFIPXVFZSA-N 491.802 6.190 50 10 JKGE O=C(NN=Cc1c(Cl)cccc1Cl)c1ccc(CN2CCC(Cc3ccccc3)CC2)cc1 1084613075 SJAOQZHKWDTPEU-UHFFFAOYSA-N 480.439 6.212 50 10 JKGE Cc1cccc(OCC(=O)NCc2ccc(OC(=O)Nc3ccc(SC#N)cc3)cc2)c1C 1858901870 BQLPUEAZPZENCN-UHFFFAOYSA-N 461.543 5.183 50 10 JKGE N#CC1=C(N)Oc2c(c(-c3ccccc3)nn2-c2ccccc2Cl)[C@@H]1c1cccc(Cl)c1 1865684357 XISQWMHXLPZQCG-OAQYLSRUSA-N 459.336 6.064 50 10 JKGE COc1ccc(-c2nn(Cc3ccccc3)c3c2[C@@H](c2ccc(C(C)C)cc2)C(C#N)=C(N)O3)cc1 1865685843 NFUOLJZNSZYODV-SANMLTNESA-N 476.580 5.949 50 10 JKGE CCc1nn(Cc2ccc(Cl)c(Cl)c2)c2c1[C@@H](c1cc(Cl)ccc1O)C(C#N)=C(N)O2 1865689768 WDMOQTWWMMYBQN-IBGZPJMESA-N 475.763 5.378 50 10 JKGE CCCOc1ccccc1[C@@H]1C(C#N)=C(N)Oc2c1c(C(F)(F)F)nn2-c1cccc(Cl)c1 1865703020 KYCOHRMRZPVARH-GOSISDBHSA-N 474.870 5.551 50 10 JKGE CCCSc1ccccc1C(=O)NNC(=O)c1ccc(-c2ccc(Cl)cc2Cl)nc1C 1865759777 RODOGNBAJDXULI-UHFFFAOYSA-N 474.413 5.941 50 10 JKGE CCOC(=O)c1c(NC(=O)/C(C#N)=C/c2ccccc2)sc(C(=O)OCCc2ccccc2)c1C 1865911293 ASALZYCKTCTVNO-LTGZKZEYSA-N 488.565 5.178 50 10 JKGE COC(=O)c1c(NC(=O)/C(C#N)=C/c2ccc(Cl)cc2)sc2c1CC[C@@H](C(C)(C)C)C2 1866128461 SWNICOWEHYOCIQ-RBFDBLARSA-N 456.995 5.885 50 10 JKGE CC(C)Cc1nc(C(=O)N[C@H](C(=O)Nc2ccc(SC#N)cc2)c2ccccc2)c2ccccn12 1866865001 LRGRGOFOQCUJMM-DEOSSOPVSA-N 483.597 5.216 50 10 JKGE COc1ccc([C@H](C(=O)N[C@H](Cc2ccccc2)C(=O)Nc2ccc(SC#N)cc2)C(C)C)cc1 1866985357 CTFYOOWAJLDUNX-CLJLJLNGSA-N 487.625 5.374 50 10 JKGE CCCc1nc(Nc2ccc(SC#N)cc2)cc(N2CCN3CCc4c(F)cccc4[C@@H]3C2)n1 1868387789 ABKGMJFORRIYOX-QHCPKHFHSA-N 474.609 5.304 50 10 JKGE COc1ccccc1-c1c(C(F)(F)F)oc2cc(OCc3cccc(CCl)c3)ccc2c1=O 1871437286 PYFIRIVLELQWEU-UHFFFAOYSA-N 474.862 6.805 50 10 JKGE N#C/C(=C(/O)c1ccc(N2CCCC2)c([N+](=O)[O-])c1)c1nc(-c2ccc(Cl)cc2)cs1 1872748250 PAXVNJLGCLJDDS-FXBPSFAMSA-N 452.923 5.922 50 10 JKGE CCOc1ccc(OCC)c(-c2csc(/C(C#N)=C(\O)c3cc([N+](=O)[O-])cc([N+](=O)[O-])c3)n2)c1 1872754762 HLLVJSDZJMCBRP-UZYVYHOESA-N 482.474 5.374 50 10 JKGE CCOc1ccc(OCC)c(-c2csc(/C(C#N)=C(\O)COc3ccc(Cl)c(C)c3)n2)c1 1872754802 JTHMOVXOLCRBCR-QOCHGBHMSA-N 470.978 6.441 50 10 JKGE CCc1cccc(C)c1N1C[C@H](/C(O)=C(\C#N)c2nc(-c3cc(C)cc(C)c3OC)cs2)CC1=O 1872754996 UEGAUCXHXQUYSR-NTKFOSSBSA-N 487.625 6.152 50 10 JKGE CCOc1cc(/C=C(\C#N)c2nc(-c3ccc(OC)c(OC)c3)cs2)cc(Br)c1O 1872781814 SUABZDLQXCKCFW-VIZOYTHASA-N 487.375 5.758 50 10 JKGE Cc1ccc(-c2csc(/C(C#N)=C/c3cc(Br)cc(Br)c3O)n2)cc1 1872791064 UNNCFUYHGYTTRC-MKMNVTDBSA-N 476.193 6.413 50 10 JKGE CCN(CC)c1ccc(/C=C(\C#N)c2nc(-c3cc(Cl)cc(Cl)c3OC)cs2)cc1 1872792490 BPEGDBITMZGNDH-MHWRWJLKSA-N 458.414 7.036 50 10 JKGE Cc1ccc(COc2cccc(/C=N/NC(=O)[C@H](Cc3ccccc3)NC(=O)OC(C)(C)C)c2)cc1 1873794915 IYBMKHWWLMEMGN-SIMFPYGHSA-N 487.600 5.160 50 10 JKGE Cl[C@@H]1C[C@@H]1[C@H](Br)c1c(Br)sc(Br)c1Br 1893445906 HRBBTAJZDBFGTD-LWKDLAHASA-N 488.264 6.099 50 10 JKGE O=C(c1cc(Br)sc1Br)N1CC2(CCCC2)C[C@H]1CBr 1912773070 YMCXAFJTIRUWAP-VIFPVBQESA-N 486.067 5.443 50 10 JKGE COc1ccc(Br)cc1CN(Cc1ccccc1)[C@H](CBr)C(C)C 1915269895 PJROEILRIRLONE-LJQANCHMSA-N 455.234 5.879 50 10 JKGE COc1cccc([C@H](Br)c2sc(Br)c(C)c2Br)c1F 1922894875 PICCIJBIVPEPSQ-JTQLQIEISA-N 472.999 6.214 50 10 JKGE Brc1cc(Br)c([C@H](Br)c2cccc(C3CC3)c2)s1 1922906614 LJSOSUMETCGUFY-CYBMUJFWSA-N 451.021 6.635 50 10 JKGE Cc1c(Br)sc([C@@H](Br)C2(C)C(C)(C)C2(C)C)c1Br 1922919851 ABPWBBGQUDCXFN-SNVBAGLBSA-N 459.085 7.090 50 10 JKGE Clc1cccc(Cl)c1[C@@H](Cl)c1c(Br)sc(Br)c1Cl 1923041091 YPSXQXPUMKPYHY-MRVPVSSYSA-N 469.840 7.562 50 10 JKGE Clc1c(Br)sc(Br)c1[C@H](Cl)[C@H]1COc2ccccc2O1 1923050329 SWFKGSLQIFCDQF-PSASIEDQSA-N 458.986 6.046 50 10 JKGE Clc1c(Br)sc(Br)c1[C@@H](Br)c1ccsc1 1923068812 WRVKZKQQEVEGGL-LURJTMIESA-N 451.430 6.472 50 10 JKGE F[C@@H]1CCC[C@H]([C@@H](Br)c2c(Br)sc(Br)c2Cl)C1 1923072372 ONKZLNMYYZUTNG-SHYZEUOFSA-N 469.439 6.891 50 10 JKGE CC(C)(C)O[C@H]1C[C@@H]([C@H](Br)c2c(Br)sc(Br)c2Cl)C1 1923073996 FKTHSWVWTURVDA-OOZYFLPDSA-N 495.502 6.956 50 10 JKGE CC1(C)CCC[C@H]1[C@@H](Cl)c1c(Br)sc(Br)c1Br 1924583641 MUSGQGOTGIIKOW-IMTBSYHQSA-N 465.476 7.142 50 10 JKGE CC1([C@@H](Br)c2c(Br)sc(Br)c2Br)CCC1 1924611622 CWKILMVMWSYZMC-ZETCQYMHSA-N 481.873 6.662 50 10 JKGE CCN(C[C@@](C)(CI)OCC1CC2(CCC2)C1)C(=O)OC(C)(C)C 2017327950 GNICECOCIRARRB-GOSISDBHSA-N 451.389 5.034 50 10 JKGE Cc1c(Br)ccc([C@H](Cl)c2ccc(Br)s2)c1Br 2024279473 NZYYRXZPXCKIMM-LBPRGKRZSA-N 459.428 6.672 50 10 JKGE CC(C)Cc1ccc([C@H](Br)c2cc(Br)sc2Br)s1 2027128576 PFYUJSIVQXTVFG-GFCCVEGCSA-N 473.093 7.017 50 10 JKGE CN(c1cccc(Br)c1CBr)[C@H]1CC(C)(C)[C@@H]1OCc1ccccc1 2038795369 STJIMYLUNIAJIE-VQTJNVASSA-N 467.245 6.164 50 10 JKGE Clc1cccc(Cl)c1C[C@H](Br)c1sc(Br)cc1Br 2042866677 VCYYTDJHIZVJDM-ZETCQYMHSA-N 493.873 7.259 50 10 JKGE CC(C)C[C@H](CBr)CNC(=O)c1scc(Br)c1Br 2057130175 FBPWELFIGLNZTB-MRVPVSSYSA-N 462.045 5.060 50 10 JKGE Clc1c(Br)sc(Br)c1[C@H](Br)C1CC2(C1)CC21CC1 2064002918 RQBREVINQSXHAC-PHATYLTASA-N 475.471 6.943 50 10 JKGE CC1(C)CC[C@@H](CBr)N1C(=O)c1scc(Br)c1Br 2084972372 DRVSINYKUWLHKL-ZETCQYMHSA-N 460.029 5.051 50 10 JKGE ClCc1nc2cc(Br)c(Cl)cc2n1[C@]12C[C@H]1CN(Cc1ccccc1)C2 2103619825 IMZVLQUCGHLLPF-XOBRGWDASA-N 451.195 5.422 50 10 JKGE Fc1ccc(F)c(C[C@H](Br)c2ccccc2Br)c1Br 2113446179 DVHGDGMMECRXLJ-NSHDSACASA-N 454.934 6.169 50 10 JKGE O=C(Nc1ccc(CCBr)cc1)c1c(Br)cccc1Br 2150491500 POUPVJIGFSNSKC-UHFFFAOYSA-N 461.979 5.401 50 10 JKGE CC(C)(C)[C@H]1C[C@H](CBr)CN(c2ncc(Br)cc2Br)C1 2165000053 RXCHLGNQBWEZFL-MNOVXSKESA-N 469.059 5.490 50 10 JKGE CN(Cc1ccc(Br)cc1Br)C[C@H](Br)C1CCCCC1 2167651524 FECCBVJXWAWZNJ-INIZCTEOSA-N 468.071 5.987 50 10 JKGE C[C@@H]1CCCC[C@]12[C@@H](Br)C[C@H]2Oc1ccc(Br)cc1Br 2173630647 XBSVFLDOQLROCQ-CXOGBFNASA-N 467.039 6.323 50 10 JKGE Cc1cccc(C[C@@H](CBr)Cc2cc(Br)ccc2Br)c1 2175146062 AIXILVNWZVZSCD-CQSZACIVSA-N 461.035 6.316 50 10 JKGE COc1c(CBr)cc(Cl)cc1S(=O)(=O)N(Cc1ccccc1)[C@@H](C)C1CC1 2179829143 XQGGRRUQVQRZIG-AWEZNQCLSA-N 472.832 5.233 50 10 JKGE Cc1nn(C)c([C@H](Cl)c2scc(C(F)(F)F)c2Br)c1Br 2192372171 CQVVSAORNRMIDF-QMMMGPOBSA-N 452.521 5.662 50 10 JKGE C[C@]1(CC(CBr)(CBr)c2ccccc2Br)CCCOC1 2192689557 WDTVBACTKZIZCR-OAHLLOKOSA-N 469.055 5.684 50 10 JKGE COc1cc(C)c([C@H](Br)c2ccc(Br)c(F)c2)cc1Br 2198737867 UDILVGSQCVWUQW-OAHLLOKOSA-N 466.970 6.152 50 10 JKGE Brc1ccc([C@@H](Br)[C@@H]2CCOc3ccccc32)c(Br)c1 2203685708 LFKCSJYKVYRARU-WBMJQRKESA-N 460.991 6.214 50 10 JKGE CCN(C(=O)c1scc(Br)c1Br)[C@H]1CCC[C@H]1Br 2217702262 BWNMXIMSUAWGGG-APPZFPTMSA-N 460.029 5.051 50 10 JKGE BrC[C@H](C1CC1)N(Cc1ccccc1)Cc1c(Br)sc2ccccc12 2217924097 OUDQZUNBEMBUDL-LJQANCHMSA-N 479.281 6.840 50 10 JKGE CO[C@@H]1CC[C@H]1C[C@@H](Br)c1c(Br)cc(C)c(Br)c1C 2227355269 MMSPWPIMGPLAIX-CYZMBNFOSA-N 455.028 6.080 50 10 JKGE Clc1cc([C@H](Cl)Cc2ccc(Br)cc2Cl)ccc1I 2229141827 HFXJAOLMVATKDQ-LLVKDONJSA-N 490.393 6.883 50 10 JKGE COC[C@@H]1CC[C@H]([C@@H](Br)c2c(Br)cc(Cl)c(Cl)c2Cl)C1 2232512417 TWUDAFHJUTWHKI-RGNHYFCHSA-N 465.440 6.908 50 10 JKGE COc1c(C(C)C)cc(Br)cc1[C@@H](Br)c1ccsc1Br 2233161129 BCICPWIMVHUEHG-ZDUSSCGKSA-N 483.063 6.889 50 10 JKGE COc1cc([C@@H](Br)c2cc(Br)c(Br)cc2F)ccc1F 2233973974 CHTHWVJBHOBPGF-CQSZACIVSA-N 470.933 5.983 50 10 JKGE Fc1cc(Br)c(Br)cc1[C@@H](Br)c1cccc2ccsc12 2233991361 BNYSOIOVYPISOX-AWEZNQCLSA-N 479.006 7.050 50 10 JKGE Cc1cc([C@H](Br)[C@H](C)c2ccncc2Br)cc(C)c1Br 2235678874 YUDABQFWBRPQSH-BDJLRTHQSA-N 462.023 6.463 50 10 JKGE CN(C[C@@H](Br)COCc1ccccc1)c1nc2ccc(Br)cc2s1 2253383998 VEIQBSTZGXZGLB-OAHLLOKOSA-N 470.230 5.475 50 10 JKGE Cn1c([C@@H](Br)Cc2cc(Br)cc(Br)c2)cnc1Cl 2263519439 RMAZLZMUTAQMAZ-JTQLQIEISA-N 457.391 5.277 50 10 JKGE CN(Cc1ccc(I)cc1)c1ccc(CBr)cc1Cl 2265602490 ATOKLOBLHODNDV-UHFFFAOYSA-N 450.545 5.476 50 10 JKGE C[C@H](c1ccncc1Br)[C@@H](Br)c1c(F)cccc1I 2267731403 HGBXUUSJRMFJAK-XLKFXECMSA-N 498.959 5.828 50 10 JKGE Cc1c(Br)ccc([C@H](Br)[C@@H]2COC3(CCC3)C2)c1Br 2269383107 RBBRQUZDYLITBR-IINYFYTJSA-N 453.012 5.915 50 10 JKGE COc1cc(Cl)c([C@@H](Br)c2csc(I)c2)c(OC)c1 2277612409 OELQEDQJXZAAMY-ZDUSSCGKSA-N 473.557 5.508 50 10 JKGE Cc1cc(I)ccc1-n1c(CCl)nc2ccc(Br)cc21 2283582790 ONWKQXQFZASSRD-UHFFFAOYSA-N 461.528 5.440 50 10 JKGE COc1ccc([C@H](Br)[C@]23CCCC[C@H]2OCC3)cc1I 2284997594 HFYUBLIGLKTUGG-PMPSAXMXSA-N 451.142 5.085 50 10 JKGE Cc1cc(F)c(Br)cc1[C@H](Cl)c1cc(Br)c(Br)cc1F 2285944306 SUTMWUTUPKWVOB-AWEZNQCLSA-N 489.379 6.889 50 10 JKGE Fc1cc(Br)cc(F)c1COc1cccc(Br)c1CBr 2287134250 XURADMAHJCFCGZ-UHFFFAOYSA-N 470.933 5.964 50 10 JKGE BrCCCC[C@@H](Cc1ccccc1)O[C@@H](CCCCBr)Cc1ccccc1 2295149743 KGWHFBLERZDVDK-ZEQRLZLVSA-N 496.327 7.356 50 10 JKGE CCCc1cc(C(=O)OC)c(NC(=O)C(C#N)=Cc2ccc(OCc3ccccc3F)cc2)s1 2295343737 ISWDOOSMWLFHFJ-UHFFFAOYSA-N 478.545 5.751 50 10 JKGE N#CC(=Cc1cccc(OCc2ccccc2)c1)C(=O)Nc1ccc([N+](=O)[O-])cc1C(F)(F)F 2297551600 TZFKRIJUBVHGOZ-UHFFFAOYSA-N 467.403 5.738 50 10 JKGE N#CC(=Cc1ccccc1)C(=O)Oc1cc(-c2cccc(C(F)(F)F)c2)c2oc(=O)sc2c1 2297713363 GBRZPYJNARLRQI-UHFFFAOYSA-N 467.424 6.053 50 10 JKGE Clc1cccc([C@@H](Br)c2ccc(OCc3ccccc3)cc2Br)c1 2299492471 CULJHNWNAWCQBP-HXUWFJFHSA-N 466.600 7.166 50 10 JKGE Clc1cc(Br)cc([C@@H](Cl)c2sc(Cl)cc2I)c1 2300954682 AVBXPKMCPMHNSH-SNVBAGLBSA-N 482.395 6.750 50 10 JKGE COc1c(Br)cc(C)c([C@@H](Br)[C@@H]2C[C@H]2Br)c1Br 2301492408 OQHBYSCRJBAUDO-XSSZXYGBSA-N 491.843 5.748 50 10 JKGE N#CC(=Cc1cc(Cl)ccc1OCc1ccccc1Cl)C(=O)Nc1ccc(Cl)c(Cl)c1 2313631518 RFPZBVRBDLQJHT-UHFFFAOYSA-N 492.189 7.425 50 10 JKGE N#CC(=Cc1cc(Cl)ccc1OCc1ccc(Br)cc1)C(=O)Nc1ccccc1F 2313631828 WQORORHDBHOMBN-UHFFFAOYSA-N 485.740 6.366 50 10 JKGE CC1(C)C[C@@H](C[C@@H](Br)c2cc(Br)ccc2OCc2ccccc2)CO1 2314451112 BXIAIZWXQFRQKV-VQIMIIECSA-N 468.229 6.669 50 10 JKGE Brc1cc(OCc2ccccc2)ccc1[C@@H](Br)C1C[C@H]2CC[C@H](C1)C2 2314503810 WFUKSIMBAMXALH-HOIFWPIMSA-N 464.241 7.290 50 10 JKGE Cc1ccc(N2C(=O)[C@@H](Cc3ccccc3C)SC2=C(C#N)C(=O)NCc2ccccc2)cc1C 2314593502 OCNSEYQSHVVRJE-AREMUKBSSA-N 481.621 5.355 50 10 JKGE Cc1ccc(N2C(=O)[C@H](Cc3ccccc3)SC2=C(C#N)C(=O)N[C@@H](C)c2ccccc2)cc1C 2314593721 RZFUGSDTMPLLSM-LVXARBLLSA-N 481.621 5.607 50 10 JKGE Brc1cc(Br)cc(CO[C@@H]2CCCCC[C@H]2I)c1 2315463680 SZEJKFDJWJWOFP-ZIAGYGMSSA-N 488.001 5.865 50 10 JKGE CCOc1ccc(C=CC(=O)Oc2ccc(C=C(C#N)c3ccc(Cl)cc3)cc2)cc1OC 2320507041 XLUOQFBBRROXDE-UHFFFAOYSA-N 459.929 6.430 50 10 JKGE CSc1cccc(NC=C(C#N)C(=O)N2CCN(C(c3ccccc3)c3ccccc3)CC2)c1 2324602966 IOBNHTXHXMAGFT-UHFFFAOYSA-N 468.626 5.162 50 10 JKGE Cc1cc(OCc2cccc(CCl)c2)cc2c1C(=O)C(=Cc1cc(Cl)cc3c1OCOC3)O2 2325361333 ZFFQHGBAPUQIGK-UHFFFAOYSA-N 483.347 6.449 50 10 JKGE CCN(C[C@](C)(CI)OC[C@H]1C[C@@H](C(F)(F)F)C1)C(=O)OC(C)(C)C 2327819907 VWULHNBCGLVKOH-ZENOOKHLSA-N 479.321 5.042 50 10 JKGE N#CC(=C(O)C=Cc1ccc2c(c1)OCCO2)c1nc(-c2ccc(Cl)cc2Cl)cs1 2331251334 RHKPLPHSSKOCHB-UHFFFAOYSA-N 457.338 6.394 50 10 JKGE Cc1ccc(-c2csc(C(C#N)=C(O)C=Cc3ccc(OCc4ccccc4)cc3)n2)cc1 2331312665 MYGUFLPWPGCBPG-UHFFFAOYSA-N 450.563 7.204 50 10 JKGE COc1ccc(C(C)(C)C)cc1-c1csc(C(C#N)=C(O)[C@@H](C)Oc2ccc(Cl)cc2)n1 2331350562 BMYQFNUFECAXHM-OAHLLOKOSA-N 469.006 7.030 50 10 JKGE COc1cc(OC)c(-c2csc(C(C#N)=C(O)COc3ccc(C)cc3C)n2)cc1Cl 2331377501 FQIJSXSPRJLBLZ-UHFFFAOYSA-N 456.951 5.969 50 10 JKGE COc1c(Cl)cc(-c2csc(C(C#N)=C(O)COc3ccc(C)c(C)c3)n2)cc1Cl 2331397457 FHWPDHRJTZESJI-UHFFFAOYSA-N 461.370 6.614 50 10 JKGE Cc1cc(-c2csc(C(C#N)=Cc3ccc(OCc4ccc(Cl)cc4)cc3)n2)ccc1F 2331449089 KNCLJUWVUPVMFU-UHFFFAOYSA-N 460.961 7.554 50 10 JKGE CCCOc1ccc(C=C(C#N)c2nc(-c3ccc(OC)c4ccccc34)cs2)cc1OCC 2331489302 QKIZEDBSDHVIBY-UHFFFAOYSA-N 470.594 7.224 50 10 JKGE CS[C@H]1C[C@H](CC(CBr)(CBr)c2ccc(Br)cc2)C1 2335765748 KGDHWHXLLBEKFA-YEORSEQZSA-N 471.096 6.008 50 10 JKGE COc1ccc(C[C@@H](Cl)c2sc(Cl)cc2I)c(Br)c1 2338830476 BQQAWSCLCSNEJB-SNVBAGLBSA-N 492.003 6.300 50 10 JKGE COc1c(Br)cc(C)c([C@@H](Br)[C@@H](C)C(F)(F)F)c1Br 2339675072 PMRLJRAAIADBLT-MUWHJKNJSA-N 468.933 6.163 50 10 JKGE Fc1cc(CBr)cc(OCc2ccc(Cl)cc2I)c1 2341028797 YJCVJXCIRZVUFN-UHFFFAOYSA-N 455.492 5.558 50 10 JKGE C[C@@H](Br)CN(Cc1cc(Cl)ccc1I)C1CCCC1 2342944622 ZOJGLIBJCFSIGU-LLVKDONJSA-N 456.593 5.473 50 10 JKGE Cl[C@@H]1C[C@H](Cc2ccc(I)c(Br)c2)CC2(CCC2)C1 2349780575 GPSCZXWRHJHQGN-QWHCGFSZSA-N 453.589 6.174 50 10 JKGE Clc1ccc(I)cc1CN1CC2(CC[C@@H]1CBr)CC2 2352411779 WQQUYVOKEQQDMW-CYBMUJFWSA-N 454.577 5.084 50 10 JKGE Fc1ccc(C[C@H](CBr)Cc2ccc(Cl)c(I)c2)cc1 2362379132 LBFIVAKOJBAAMR-ZDUSSCGKSA-N 467.547 5.880 50 10 JKGE Cc1cc(Br)c([C@H](Br)[C@@H]2CO[C@]3(C)C[C@H]2C3)c(C)c1Br 2362915971 KERJEXXNVYHGFY-WVATUKLVSA-N 467.039 6.080 50 10 JKGE COc1c(Br)cc(C)c([C@H](Br)[C@]23C[C@H](CCO2)C3)c1Br 2365192638 CYFSNQDGHAOLJK-ULKVUYOBSA-N 469.011 5.534 50 10 JKGE CN(CC[C@@H](Br)c1cccs1)Cc1cccc(Br)c1Br 2366196733 QWTBXCILXAZDPZ-GFCCVEGCSA-N 482.079 6.231 50 10 JKGE COc1ccc([C@@H](Br)c2c(Cl)cc(C)cc2Cl)cc1I 2381302628 GSDVFQQUWMWQNB-OAHLLOKOSA-N 485.974 6.399 50 10 JKGE N#C/C(=C\c1ccc(OCc2ccccc2)c(Br)c1)C(=O)Nc1ccc([N+](=O)[O-])cc1O 12555866 BMRDNVWPHXFKAS-LICLKQGHSA-N 494.301 5.188 50 10 JKGE C=CCc1ccc(OCCOc2ccc(/C=C(/C#N)C(=O)Nc3ccccc3C)cc2OC)c(OC)c1 33404391 UZZUECYYIUCXLM-ULJHMMPZSA-N 498.579 5.744 50 10 JKGE Cc1cc(OCC(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@H]3c2cccc(Cl)c2)ccc1Cl 38651222 FARAKZHPKQCGQJ-DEOSSOPVSA-N 481.335 5.504 50 10 JKGE CCOc1ccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4cccc5ccccc45)ccc32)cc1OC 38659603 LQTQCLQLDKRZFN-MUUNZHRXSA-N 492.531 5.684 50 10 JKGE CCCOc1ccccc1C(=O)Oc1ccc2c(c1)OC(N)=C(C#N)[C@H]2c1ccccc1OCCC 38681841 VBIVSMUNALDOGF-MHZLTWQESA-N 484.552 5.702 50 10 JKGE CCCOc1cccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4ccccc4OCCC)ccc32)c1 38684498 SJUKXZICECCEIT-MHZLTWQESA-N 484.552 5.702 50 10 JKGE CCOc1ccc(C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@H]3c2cccc(OCCC(C)C)c2)cc1 38684660 VBQJJRHEACXABA-NDEPHWFRSA-N 498.579 5.948 50 10 JKGE Cc1occc1C(=O)N/N=C1\CCCc2oc(C(=O)N3c4ccc(F)cc4CC[C@@H]3C)c(C)c21 40823413 TWCWJDLDTUJYQO-SNJRSOBTSA-N 463.509 5.080 50 10 JKGE CCCCCCOc1ccc(/C=C(\C#N)C(=O)Nc2sc(C(=O)OCC)c(C)c2C#N)cc1OC 40859568 ITYCZYLXFVBQKA-CPNJWEJPSA-N 495.601 5.618 50 10 JKGE CCOc1ccc([C@@H](O)CCC(=O)N/N=C/c2cc(C)n(-c3ccc(-c4ccccc4)cc3)c2C)cc1 58893070 BUVZIGZIZHIRDS-IMASQNRCSA-N 495.623 6.124 50 10 JKGE CCOc1cc(/C=C(\C#N)C(=O)Nc2c(C)cccc2C)ccc1OCc1ccc(Cl)cc1Cl 59201344 OTRFYHGJAOZLIZ-CIAFOILYSA-N 495.406 7.134 50 10 JKGE COc1cc(/C=C(\C#N)C(=O)Nc2cccc(Cl)c2Cl)c([N+](=O)[O-])cc1OCc1ccccc1 59335978 QXKQHVOLKUPSIB-LICLKQGHSA-N 498.322 6.035 50 10 JKGE CCOc1cc(/C=C(\C#N)C(=O)Nc2cc(C)ccc2C)ccc1OCc1ccccc1Cl 59433007 SNBWSIZNZQXBNS-HYARGMPZSA-N 460.961 6.480 50 10 JKGE CCOc1cccc(NC(=O)/C(C#N)=C/c2ccc(OCc3ccc(Cl)c(Cl)c3)c(OC)c2)c1 96840754 SQSDKZOKHQKCCL-YBFXNURJSA-N 497.378 6.525 50 10 JKGE CCc1ccc(N2C(=O)[C@H](Cc3ccccc3C)S/C2=C(/C#N)C(=O)NCc2ccccc2)cc1 101240792 AFUHNIVIFNSDOB-HFVAWESISA-N 481.621 5.300 50 10 JKGE CCc1ccc(N2C(=O)[C@H](Cc3ccc(C)cc3)S/C2=C(/C#N)C(=O)Nc2ccccc2OC)cc1 101246413 FEKGEPRJXZAHMZ-TUJXDINHSA-N 497.620 5.631 50 10 JKGE CC1=C(C#N)C(=O)N(Cc2ccccc2)C(=O)/C1=C/c1ccc(-c2cc(Cl)ccc2Cl)o1 101335094 RPMJXIVRYWRRBP-XDHOZWIPSA-N 463.320 6.046 50 10 JKGE CC1=C(C#N)C(=O)N([C@H](C)c2ccccc2)C(=O)/C1=C/c1ccc(OCc2ccccc2F)cc1 101337936 DOKPAFJUJXBULC-UVPCLOGWSA-N 466.512 5.758 50 10 JKGE N#C/C(=C/c1ccc(OCc2ccc(Cl)c(Cl)c2)cc1)C(=O)Nc1nc2ccccc2s1 102444024 ZHZQGSMSAUSLRX-BOPFTXTBSA-N 480.376 6.728 50 10 JKGE COc1ccc(Br)cc1[C@H](Br)c1ccc(Br)cc1Cl 109834542 ZAWUEEVUSVHSBU-CQSZACIVSA-N 469.398 6.358 50 10 JKGE Cn1c(=O)oc2cc([C@H](Br)c3cc(Br)c(Br)s3)ccc21 128558465 VFPOBTHPJJWTQP-NSHDSACASA-N 481.991 5.202 50 10 JKGE Cc1cc(Br)c([C@H](Br)C(F)(F)C(F)(F)F)cc1Br 128842274 KUISEUZJPAPELN-QMMMGPOBSA-N 460.860 6.154 50 10 JKGE CCCCCCCCCC[C@H](O)CN(C[C@@H](O)CCCCCCCCCC)C(=O)CCl 205786618 YMEJFFNSYLSUJP-DQEYMECFSA-N 462.159 6.837 50 10 JKGE CC(C)c1ccc(N/C=C(/C#N)C(=O)N2CCN(C(c3ccccc3)c3ccccc3)CC2)cc1 216486369 NVFQUEQSFDQKHJ-QYQHSDTDSA-N 464.613 5.563 50 10 JKGE Cc1cc(I)ccc1NC(=O)/C(C#N)=C\NC1CCCCCCCCCCC1 217253915 WPMNFIPJMLTYSL-ZPHPHTNESA-N 493.433 6.209 50 10 JKGE COCCc1ccc([C@H](Br)c2ccc(I)c(Cl)c2)cc1 232342771 XUFSHJSYESSGRO-INIZCTEOSA-N 465.556 5.618 50 10 JKGE Clc1cc([C@@H](Br)c2ccc3c(c2)CCCO3)ccc1I 232343685 QUXQFMFDNRAUJA-INIZCTEOSA-N 463.540 5.754 50 10 JKGE Cl[C@@H](Cc1nc2ccccc2o1)c1cc(Br)ccc1I 236025639 JKADRLMTXDVHNF-NSHDSACASA-N 462.512 5.718 50 10 JKGE Fc1ccc([C@@H](Br)c2ccc(Br)cc2)c(I)c1 236177166 BOYSPULSYNCSDV-ZDUSSCGKSA-N 469.917 5.677 50 10 JKGE CCOC(=O)c1ccc(-n2c(C)cc(C=NNC(=O)c3cc4c(ccc5ccccc54)o3)c2C)cc1 252622153 NPXONLHGHVKKJI-UHFFFAOYSA-N 479.536 5.934 50 10 JKGE CCCC(=NNC(=O)c1cc(-c2ccc(C(C)C)cc2)nc2ccccc12)c1ccc(Cl)s1 254372038 NDGGOPSLVQPRIB-UHFFFAOYSA-N 476.045 7.674 50 10 JKGE COC(=O)c1ccc([C@@H]2Nc3ccc(C(C)=NNC(=O)c4ccccc4O)cc3[C@H]3C=CC[C@@H]32)cc1 254448536 IKEZOTBPZRETAX-BERHBOFZSA-N 481.552 5.159 50 10 JKGE O=C(NN=Cc1ccc(Cl)cc1Cl)c1cccc(S(=O)(=O)Nc2ccc(Cl)cc2)c1 254568795 JQJMRAAYMWFQBY-UHFFFAOYSA-N 482.776 5.212 50 10 JKGE CC1(C)[C@@]2(C(Br)Br)CC[C@@]1(C(=O)Oc1ccccc1)[C@H]2Br 256019914 MDHPWRXGDWMKAX-UVBJJODRSA-N 481.022 5.278 50 10 JKGE C[C@@H](Cl)c1nc2cc(I)ccc2n1CCCN(C)Cc1ccccc1 305088796 MAIBUOJJQQYYAG-OAHLLOKOSA-N 467.782 5.463 50 10 JKGE COc1cc(Br)ccc1[C@@H]1CN(C(=O)OCc2ccccc2)C[C@H]1CBr 382687708 GUNZBAJQEUIXNM-CRAIPNDOSA-N 483.200 5.205 50 10 JKGE Cc1cccc(C(CBr)(CBr)Cc2ccsc2Br)c1 388725741 BCJQZZJPEIYXBS-UHFFFAOYSA-N 467.064 6.089 50 10 JKGE COc1cc(Cl)c([C@@H](Br)c2ccc(OCc3ccccc3)cc2)cc1Cl 388880699 SAIBIBFIQZMQPY-NRFANRHFSA-N 452.175 7.065 50 10 JKGE COc1cc(CBr)cc(Br)c1OCc1ccc(Br)o1 393542347 BRJQBKDBHDLMHM-UHFFFAOYSA-N 454.940 5.287 50 10 JKGE Clc1cc([C@H](Cl)c2ccc(I)cc2)c(Cl)c(Cl)c1Cl 404738162 VHPVIAFECYTFEU-SNVBAGLBSA-N 466.360 7.233 50 10 JKGE Cc1cccc([C@H](Br)c2ccc(F)c(Br)c2F)c1Br 691630182 NWSVBZHODVANFK-LBPRGKRZSA-N 454.934 6.283 50 10 JKGE Clc1ccsc1[C@H](Br)c1scc(Br)c1Br 705410149 QQKPZMKRMOHXGQ-ZETCQYMHSA-N 451.430 6.472 50 10 JKGE Cc1sc([C@@H](Br)c2cc(F)ccc2Br)c(C)c1Br 724929608 YJIUPNQFSQGVLP-LBPRGKRZSA-N 457.000 6.513 50 10 JKGE O=C(NN=C/C(Cl)=C/c1ccccc1)c1ccc(NN=C/C(Cl)=C\c2ccccc2)cc1 886000319 CFEUJCDNAHZPSL-PNTRORGNSA-N 463.368 6.360 50 10 JKGE O=C(CC[C@H](O)c1ccccc1)NN=Cc1cc(Cl)c(OCc2ccccc2F)c(Cl)c1 1084392729 GGEAMSYMPSJSGB-QFIPXVFZSA-N 475.347 5.675 50 10 JKGE CCN(CC)c1c(C=NNC(=O)CCCNc2ccc(Cl)cc2)c(C)nn1-c1ccccc1 1084558702 FMENHMAZPWZILC-UHFFFAOYSA-N 467.017 5.023 50 10 JKGE CCc1ccccc1NC(=O)/C(C#N)=C\c1ccccc1OCc1ccc(Br)cc1 1084573663 ASOPGTJFAYQBQK-QNGOZBTKSA-N 461.359 6.136 50 10 JKGE Cc1c(C(=O)N2CCC(C)CC2)oc2c1C(=NNC(=O)c1ccc(Cl)cc1Cl)CCC2 1772746822 AIYDAXKFQDZDLV-UHFFFAOYSA-N 462.377 5.237 50 10 JKGE COc1cc(C=NNC(=O)COc2cc(C)c(Cl)c(C)c2)ccc1OCc1ccccc1C 1772754185 QFAADSJDJBDDJW-UHFFFAOYSA-N 466.965 5.382 50 10 JKGE Clc1ccc(CBr)cc1-c1c(Cl)c(Cl)c(Cl)c(Cl)c1Cl 1848369201 KTJBSTZLLLBEJM-UHFFFAOYSA-N 453.805 8.169 50 10 JKGE N#CSc1ccc(NC(=O)Nc2ncccc2OCC(=O)Nc2ccc(Cl)c(Cl)c2)cc1 1858833758 AEFLZSUNOQFZFT-UHFFFAOYSA-N 488.356 5.623 50 10 JKGE CCc1nn(-c2ccc(Br)cc2)c2c1[C@@H](c1cccc(Cl)c1)C(C#N)=C(N)O2 1865683211 AGLYHHDJTOBTPQ-SFHVURJKSA-N 455.743 5.069 50 10 JKGE N#CC1=C(N)Oc2c(c(C(F)(F)F)nn2Cc2ccc(F)cc2)[C@@H]1c1cccc(Br)c1 1865683241 BDWXCPUZBPIKNS-MRXNPFEDSA-N 493.258 5.070 50 10 JKGE N#CC1=C(N)Oc2c(c(C(F)(F)F)nn2-c2cccc(Cl)c2)[C@@H]1c1ccc(Cl)cc1 1865684187 VVDXSJQLJFMAQF-OAHLLOKOSA-N 451.235 5.416 50 10 JKGE CCCOc1c(OC)cccc1[C@@H]1C(C#N)=C(N)Oc2c1c(CC)nn2Cc1ccc(Cl)cc1 1865692449 GCGJLOPVWDIALU-JOCHJYFZSA-N 478.980 5.163 50 10 JKGE CCOc1c(OC)cccc1[C@@H]1C(C#N)=C(N)Oc2c1c(CC)nn2Cc1ccc(Cl)c(Cl)c1 1865693016 KPIBPWIYQJDZPZ-OAQYLSRUSA-N 499.398 5.426 50 10 JKGE CCCCCOc1ccc([C@@H]2C(C#N)=C(N)Oc3c2c(CCC)nn3CC(C)C)cc1OC 1865695182 MBCWREWUAHAJGS-HSZRJFAPSA-N 452.599 5.287 50 10 JKGE CCCOc1ccccc1[C@H]1C(C#N)=C(N)Oc2c1c(C(F)(F)F)nn2Cc1cc(C)ccc1C 1865703072 MMYJUTBEYYGOBJ-NRFANRHFSA-N 482.506 5.574 50 10 JKGE CCc1nn(-c2cccc3ccccc23)c2c1[C@@H](c1cccc(OCc3ccccc3)c1)C(C#N)=C(N)O2 1865712259 UIKDUONLOJAHIJ-LJAQVGFWSA-N 498.586 6.385 50 10 JKGE N#CSc1ccc(NC(=O)[C@H](NC(=O)c2cccc(-n3cccc3)c2)c2ccccc2)cc1 1866616871 MVKBBUVOFWOSLG-XMMPIXPASA-N 452.539 5.160 50 10 JKGE CCc1ccc(/C(C)=C/C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)Nc2ccc(SC#N)cc2)cc1 1866682755 NDUVMCYOWAOPMB-DXCHCPKQSA-N 485.609 5.297 50 10 JKGE CCCCCCCOc1ccc(-c2csc(/C(C#N)=C(O)/C=C/c3ccc(C(C)C)cc3)n2)cc1 1872753181 KZFZIMMLRZHGDW-NZHXZDIHSA-N 486.681 8.789 50 10 JKGE Cc1ccc(C(C)(C)C)cc1-c1csc(/C(C#N)=C(\O)c2ccc(NS(C)(=O)=O)cc2)n1 1872755953 NJKPNHIPJRYPGF-XDOYNYLZSA-N 467.616 5.737 50 10 JKGE CCCOc1ccc(/C=C(\C#N)c2nc(-c3ccc(Br)cc3)cs2)cc1OCC 1872781165 XAJYWTXJQPYQIV-LDADJPATSA-N 469.404 6.824 50 10 JKGE C[C@H](Cl)c1nc2c(Br)cc(F)cc2n1[C@H]1C[C@H](C)N(Cc2ccccc2)C1 1912674550 PKDFKGGABJFGEH-ZQIUZPCESA-N 450.783 6.073 50 10 JKGE C[C@H]1CN(Cc2ccccc2)C[C@H](C)N(c2cc(Br)ccc2CBr)C1 1921467251 WIXVVXPKYANAAT-IRXDYDNUSA-N 466.261 5.691 50 10 JKGE CC(C)(C)[C@@H]1C[C@@H]1[C@@H](Br)c1c(Br)sc(Br)c1Cl 1923037426 DBYSLYAREWXRRQ-SHYZEUOFSA-N 465.476 7.045 50 10 JKGE Clc1c(Br)sc(Br)c1[C@H](Br)C1CC2(CCC2)C1 1923039707 QEOFJMXHSILNRW-MRVPVSSYSA-N 463.460 6.943 50 10 JKGE FC(F)COCC[C@H](Br)c1c(Br)sc(Br)c1Cl 1923049054 JYAKWEGKGCSMSB-BYPYZUCNSA-N 477.390 6.034 50 10 JKGE CC1(C)CO[C@@H](C[C@H](Br)c2c(Br)sc(Br)c2Cl)C1 1923067155 ZDYDVEWFPJSBKM-BQBZGAKWSA-N 481.475 6.568 50 10 JKGE Cc1cc(C)c([C@H](Br)c2c(Br)sc(Br)c2Cl)c(C)c1 1923067748 HVUOSCRPGBQSIB-NSHDSACASA-N 487.482 7.336 50 10 JKGE Cl[C@H](CC(C1CC1)C1CC1)c1c(Br)sc(Br)c1Br 1924605487 RYTODZILYAXJGK-SECBINFHSA-N 477.487 7.142 50 10 JKGE Fc1c(Br)cccc1[C@H](Br)c1c(Cl)sc(Br)c1Cl 1925586483 ZREMXRMFRXKDTF-ZETCQYMHSA-N 497.836 7.203 50 10 JKGE Clc1sc(Br)c(Cl)c1[C@@H](Br)c1coc(Br)c1 1925595099 QTMDBVAOEWORHG-LURJTMIESA-N 469.807 6.657 50 10 JKGE Clc1sc(Br)c(Cl)c1[C@H](Br)c1csc2c1CCCC2 1925618575 RLMLLJVBZLYXSA-SNVBAGLBSA-N 461.071 7.242 50 10 JKGE Fc1ccc(I)cc1[C@H](Cl)c1sc(Cl)cc1Br 2003650868 ZXCXTROQUSZCBW-JTQLQIEISA-N 465.940 6.236 50 10 JKGE FC(F)([C@H](Br)c1sc(Br)cc1Br)[C@@H]1CCOC1 2012976056 YECLUIWMQIYEJN-MLUIRONXSA-N 454.956 5.381 50 10 JKGE CCc1ccc(S(=O)(=O)N(CCN(C)Cc2ccccc2)Cc2ccccc2)cc1CCl 2034752482 SOBOFCCTRNFEJG-UHFFFAOYSA-N 471.066 5.311 50 10 JKGE CN(Cc1ccc(Br)s1)c1cc(Br)ccc1CBr 2039292781 JEVUJPXGLKSTFG-UHFFFAOYSA-N 454.025 5.804 50 10 JKGE Fc1cc(Cn2nc(CBr)c(Br)c2C(F)(F)F)ccc1C(F)(F)F 2079232708 CTSSXVCMJLASLK-UHFFFAOYSA-N 484.007 5.766 50 10 JKGE Cc1ccc([C@H](Br)Cc2ccccc2I)c(C)c1Br 2087570666 UPKRJDMIEOIYIA-CQSZACIVSA-N 494.008 6.349 50 10 JKGE Fc1cc(Br)cc(CC[C@H](Br)c2cccc(Br)c2)c1 2113488479 DNDUBONZWSZZPM-HNNXBMFYSA-N 450.971 6.420 50 10 JKGE C[C@H]1CC[C@H](COc2c(Br)cc(CBr)cc2Br)OC1 2116416584 ATLBYTDOEOCFCE-GXSJLCMTSA-N 457.000 5.300 50 10 JKGE C[C@H](Br)C12CCC(CC1)N2Cc1cc(Br)ccc1Br 2118532238 NPNDUOULNKTXNZ-KKJMOOEGSA-N 452.028 5.492 50 10 JKGE Cc1c([C@@H](Br)c2cc(F)c(Br)cc2F)c(Br)nn1C 2131589823 ISBLROUWNXMDQM-NSHDSACASA-N 458.926 5.016 50 10 JKGE Cc1cc(Br)c(C)c([C@H](Br)C(C)(C)C(C)(F)F)c1Br 2136367069 NOFQCIVUZWFIBM-LBPRGKRZSA-N 462.998 6.946 50 10 JKGE Fc1cc(Cl)c([C@H](Br)c2c(Br)cccc2Br)cc1Cl 2139427510 YKQKCUPNQCKXLS-ZDUSSCGKSA-N 491.807 7.142 50 10 JKGE CCC[C@H]1CN(C(=O)c2csc(Br)c2Br)C[C@@H]1CBr 2140764721 HYEAJFRQDCBRSD-IUCAKERBSA-N 474.056 5.156 50 10 JKGE Clc1ccc(I)c([C@H](Cl)c2cc(Br)c3c(c2)CCO3)c1 2146620160 KAJDXZFTGRYXEN-CQSZACIVSA-N 483.958 5.970 50 10 JKGE Cl[C@H](c1c(Br)cccc1Br)c1csc2c(Br)cccc12 2150495471 XGVMPEJWADUQAW-AWEZNQCLSA-N 495.461 7.517 50 10 JKGE CC1(C)C[C@H](n2c(CCl)nc3cc(Br)c(Cl)cc32)[C@H]1OCc1ccccc1 2159872856 AEWXQTSCZGQEOQ-AZUAARDMSA-N 468.222 6.747 50 10 JKGE C[C@]1([C@H](Br)c2cc(I)cc3c2OCC3)CCCC1(F)F 2167955887 BLLZHGVWXHSVQT-ZIAGYGMSSA-N 457.096 5.488 50 10 JKGE CN(C(=O)c1c(Br)cccc1Br)[C@H]1CCCCC[C@H]1Br 2172543333 KFIVGBBUEHYHNW-MFKMUULPSA-N 468.027 5.380 50 10 JKGE Oc1nc2cc([C@H](Cl)c3cc(Br)c(Cl)s3)c(Br)cc2[nH]1 2172569507 NVHZWTZQERSPAG-JTQLQIEISA-N 456.974 5.837 50 10 JKGE O=C(c1cc(Br)ccc1Br)N1C[C@@H](Br)CCC12CCC2 2174540731 RARXEMYWVNPGJD-NSHDSACASA-N 466.011 5.134 50 10 JKGE ClC[C@]12CCCC[C@H]1N(c1ncc(I)cc1Br)CCC2 2189902773 ZMVPRXMUPAUUBO-UKRRQHHQSA-N 469.592 5.217 50 10 JKGE COc1cccc([C@@H](Br)c2ccc(Br)c(C)c2Br)c1C 2203686622 PFNOONXRNUTSLE-MRXNPFEDSA-N 463.007 6.321 50 10 JKGE Cc1c(Br)ccc([C@@H](Br)[C@H]2C[C@@H]2c2ccccc2)c1Br 2203690243 ZVMOZIDWYOHKMI-JKIFEVAISA-N 459.019 6.760 50 10 JKGE Cc1c(Br)ccc([C@H](Br)c2ccc(C(F)(F)F)o2)c1Br 2203690889 GFLJABBKGRQOOO-LBPRGKRZSA-N 476.912 6.616 50 10 JKGE Cc1c(Br)ccc([C@@H](Br)c2ccsc2C(F)(F)F)c1Br 2203703665 JKVGYQSWHWGNMC-LLVKDONJSA-N 492.980 7.085 50 10 JKGE Brc1sc([C@@H]2CC[C@@H](Br)C2)c(Br)c1Br 2209972674 BBPVRRJAKQIOBE-RFZPGFLSSA-N 467.846 6.067 50 10 JKGE Cc1c(Br)sc([C@@H](Br)Cc2ccccc2Br)c1C 2218789497 UTUCMWOQWDOWNY-LBPRGKRZSA-N 453.037 6.569 50 10 JKGE Cc1cc(Br)c([C@H](Cl)c2ccc(Br)c(C)c2Br)s1 2221820635 QTCYDKHUKBQOAL-GFCCVEGCSA-N 473.455 6.981 50 10 JKGE Cn1cc(Br)c([C@H](Cl)c2c(Br)cc(Cl)c(Cl)c2Cl)n1 2224306847 IFSUTKJUHAHGSZ-SNVBAGLBSA-N 467.803 6.234 50 10 JKGE Cc1ccc([C@H](Br)c2cc(Cl)c(F)cc2Cl)cc1I 2224628687 PSPKZLSEDTVRAS-AWEZNQCLSA-N 473.938 6.530 50 10 JKGE Fc1cc(Br)c(Br)cc1[C@H](Br)[C@@H]1C[C@H]2C[C@H]1[C@@H]1C[C@@H]21 2225620047 QBIFLKAGEYCDDG-PLYMRDAPSA-N 452.987 6.079 50 10 JKGE ClCCc1nc2cc(Br)c(Br)cc2n1[C@H]1CCN(Cc2ccccc2)C1 2225692746 BBAOHJVADRWFCP-HNNXBMFYSA-N 497.662 5.790 50 10 JKGE Cc1sc([C@@H](Cl)c2c(Br)cc(Cl)c(Cl)c2Cl)cc1Br 2226087578 FCXBCHXDGOBZFJ-LLVKDONJSA-N 483.867 7.870 50 10 JKGE Cc1c(Br)ccc([C@H](Br)C2(C)CC3(CCC3)C2)c1Br 2228275048 KQMDWBMMWQMRBT-AWEZNQCLSA-N 451.040 6.926 50 10 JKGE Cc1cc(Cl)ccc1[C@H](Br)c1c(Br)cc(Cl)c(Cl)c1Cl 2232511143 JLJGQEHLBPSXEH-LBPRGKRZSA-N 477.838 7.855 50 10 JKGE CCOCc1cc(Br)c([C@H](Br)c2cc(Br)ccc2F)s1 2233024267 VQOIYEKMLIBGED-CYBMUJFWSA-N 487.026 6.433 50 10 JKGE CCOc1ccc([C@@H](Br)c2cc(Br)c(Br)cc2F)cc1 2233975785 LQDIQMFPQJSCKF-OAHLLOKOSA-N 466.970 6.234 50 10 JKGE C[C@@H](Cl)c1nc2ccc(F)c(Cl)c2n1CC1(N(Cc2ccccc2)Cc2ccccc2)COC1 2235759204 DTTPWZQHLVIZCI-LJQANCHMSA-N 498.429 6.600 50 10 JKGE Cc1sc([C@H](Br)c2cc(Br)c3c(c2)CCO3)c(Br)c1C 2237630223 SLCBJBKBZFRKRJ-CYBMUJFWSA-N 481.047 6.309 50 10 JKGE COc1ccc([C@H](Br)C2(Br)CCC2)cc1I 2243905438 OPUMKWXCIDRWAW-NSHDSACASA-N 459.947 5.053 50 10 JKGE Fc1cccc(I)c1[C@@H](Br)c1cc(Cl)sc1Cl 2247988135 RDEZZGZJYMNYOI-JTQLQIEISA-N 465.940 6.283 50 10 JKGE Clc1ccc([C@H](Br)c2ccc(C3CC3)s2)cc1I 2256338054 HONMDLDDDANSOU-AWEZNQCLSA-N 453.570 6.368 50 10 JKGE Cc1cc(Br)c([C@@H](Br)c2cc(Br)c(F)cc2Cl)s1 2258114093 PROXNRZIZIVXQR-NSHDSACASA-N 477.418 6.858 50 10 JKGE CC(C)(C)c1ccc([C@H](Br)c2ccc(Cl)c(I)c2)s1 2268279697 MHXRUSAZCLTUCZ-CQSZACIVSA-N 469.613 6.788 50 10 JKGE Cc1c(Br)sc([C@H](Br)c2cc(Br)c(F)cc2Cl)c1C 2270460989 LDQDPLFPNPZJRW-LLVKDONJSA-N 491.445 7.167 50 10 JKGE Brc1cc(Br)cc(C[C@@H](Br)C23CCCC2CCC3)c1 2277952370 FCBLZIXMVOOTHZ-DSSZZKGTSA-N 451.040 6.488 50 10 JKGE COc1cc(OC)c([C@H](Br)c2cccc(I)c2)cc1Cl 2279136500 DPIRFULBFOPVNX-OAHLLOKOSA-N 467.528 5.446 50 10 JKGE Brc1ccc(Br)c(CN2C[C@H](Br)C[C@@H]3CCCC[C@H]32)c1 2279519655 FKYGILGBABGOOM-SGIREYDYSA-N 466.055 5.740 50 10 JKGE COc1ccc([C@H](Cl)c2cc(Br)ccc2I)c(C)c1C 2284593652 UGIFECAIDWGBDK-INIZCTEOSA-N 465.556 6.007 50 10 JKGE Fc1ccc(Br)cc1[C@@H](Cl)c1c(F)cc(Br)c(F)c1Br 2288351474 BZFMMALEFIDVNI-GFCCVEGCSA-N 493.342 6.720 50 10 JKGE Fc1cc(Br)c(F)c(Br)c1[C@H](Br)[C@@H]1C[C@H]2O[C@H]1[C@@H]1C[C@@H]21 2288496676 KEOMVYGQYHFJBS-HWFMCPSMSA-N 472.949 5.349 50 10 JKGE COc1ccccc1C=CC=NNC(=O)CSc1nnc(-c2ccc(C)cc2)n1-c1ccccc1 2293465055 OPZJFZATTYBYAA-UHFFFAOYSA-N 483.597 5.159 50 10 JKGE CCCOc1cccc(-c2nn(-c3ccccc3)cc2C=C(C#N)c2nc(O)c3ccccc3n2)c1 2296546044 JGVJPGNVZZWADP-UHFFFAOYSA-N 473.536 6.041 50 10 JKGE COc1cccc(NC(=O)C(C#N)=Cc2c(Oc3ccc(C(C)(C)C)cc3)nc3ccccn3c2=O)c1 2296720357 WHKLPJOISNXHCB-UHFFFAOYSA-N 494.551 5.339 50 10 JKGE C=CCOc1ccc(-c2nn(-c3ccccc3)cc2C=C(C#N)C(=O)NCc2ccco2)cc1C 2296729494 RGFBBSXTEIFLHC-UHFFFAOYSA-N 464.525 5.229 50 10 JKGE COc1ccc(NC(=O)C(C#N)=Cc2c(C)nn(-c3cccc(Cl)c3)c2Cl)cc1OC 2297388100 PNJRDQMYFCWQBP-UHFFFAOYSA-N 457.317 5.050 50 10 JKGE N#CC(=Cc1cccn1Cc1ccc(Cl)cc1Cl)C(=O)Nc1cc(C(F)(F)F)ccc1Cl 2297616748 OZPFMGDDKXXCTI-UHFFFAOYSA-N 498.719 7.061 50 10 JKGE Cc1cc(C=C(C#N)C(=O)Nc2cccc(Cl)c2Cl)c(C)n1-c1ccc(C(C)C)cc1 2313570982 KTHJNGYJQSJNKI-UHFFFAOYSA-N 452.385 7.070 50 10 JKGE Cc1ccc(C)c(NC(=O)C(C#N)=Cc2ccccc2OCc2ccc(Cl)c(Cl)c2)c1 2313667580 QSMDOKLDYZWLFG-UHFFFAOYSA-N 451.353 6.735 50 10 JKGE N#CC(=Cc1ccc2noc(-c3ccc(Cl)cc3)c2c1)c1nc(-c2ccc([N+](=O)[O-])cc2)cs1 2314571980 PVZMUWSEULMBGC-UHFFFAOYSA-N 484.924 7.244 50 10 JKGE COc1ccc(N2C(=O)[C@@H](Cc3ccccc3C)SC2=C(C#N)C(=O)Nc2ccccc2)cc1 2314591645 AIZQJEAAWYQHQU-XMMPIXPASA-N 469.566 5.069 50 10 JKGE Cc1ccc(N2C(=O)[C@H](Cc3ccccc3F)SC2=C(C#N)C(=O)Nc2ccccc2C)cc1C 2314591826 FQVDGTNKCINPFB-VWLOTQADSA-N 485.584 5.816 50 10 JKGE CC1=C(C#N)C(=O)N(CCc2ccccc2)C(=O)C1=Cc1ccc(-c2ccc(Cl)cc2Cl)o1 2314616987 OLCFQWBSWZPLFL-UHFFFAOYSA-N 477.347 6.088 50 10 JKGE CCCCCOc1ccc(C=C2C(=O)N(CCc3ccc(OC)cc3)C(=O)C(C#N)=C2C)cc1OC 2314620575 REPGHQZESSIRMS-UHFFFAOYSA-N 488.584 5.108 50 10 JKGE N#CC1=C(N)Oc2cc(OC(=O)C=Cc3ccc(Cl)cc3)ccc2[C@@H]1c1ccc([N+](=O)[O-])cc1 2314634175 WSDBFBROCBDQFM-DEOSSOPVSA-N 473.872 5.085 50 10 JKGE Cc1nc(-c2ccc(Cl)cc2Cl)ccc1C(=O)NN=Cc1ccccc1Br 2321242232 ZYYSJDZHMZXTKS-UHFFFAOYSA-N 463.162 5.890 50 10 JKGE Brc1ccc(CN2CC[C@H]3C[C@@H](Br)CC[C@H]32)c(Br)c1 2328747755 WHHJJNQLDZBQDG-ITDIGPHOSA-N 452.028 5.350 50 10 JKGE CCCCCCCCCOc1ccc(C=NNC(=O)[C@@H](NC(=O)OC(C)(C)C)C(C)C)cc1Cl 2328833327 VAIHPKBQJBQVHY-QHCPKHFHSA-N 496.092 6.469 50 10 JKGE CC[C@H](C)N1C(=O)c2ccc(C(O)=C(C#N)c3nc(-c4ccc(Cl)cc4)cs3)cc2C1=O 2331295917 UDJLDEQCCSZYSR-ZDUSSCGKSA-N 463.946 5.808 50 10 JKGE N#CC(=C(O)CCCOc1ccc2ccccc2c1)c1nc(-c2ccc3c(c2)OCO3)cs1 2331335692 GHBWYMVJGNXWLB-UHFFFAOYSA-N 456.523 6.344 50 10 JKGE Cc1ccc(C(C)(C)C)cc1-c1csc(C(C#N)=C(O)c2ccc3c(c2)C(=O)N(C(C)(C)C)C3=O)n1 2331396432 XWZKXXQEPJQSBI-UHFFFAOYSA-N 499.636 6.760 50 10 JKGE COc1c(Cl)cc(-c2csc(C(C#N)=C(O)c3cc4ccccc4oc3=O)n2)cc1Cl 2331397439 CLMBYTBBHFXGFL-UHFFFAOYSA-N 471.321 6.182 50 10 JKGE CC(C)C[C@@H](C(O)=C(C#N)c1nc(-c2ccc(Cl)s2)cs1)N1C(=O)c2ccccc2C1=O 2331400681 IRZONBMQTPRDSJ-KRWDZBQOSA-N 484.002 6.029 50 10 JKGE Cc1cc(C)c([C@@H](Br)c2ccc(OCc3ccccc3)cc2Br)c(C)c1 2336049202 AQKCHLYPSJZDCK-QHCPKHFHSA-N 474.236 7.438 50 10 JKGE C[C@H]([C@H]1CCCO1)[C@@H](Br)c1c(Cl)cc(Br)c(F)c1Br 2337105398 XIUHOWGXJCQEBM-KNBVPPQFSA-N 479.409 6.255 50 10 JKGE Cn1cnc(Br)c1[C@@H](Br)c1c(Br)cc(F)c(Cl)c1F 2337274640 KQTHOQBLRHPMSK-ZETCQYMHSA-N 479.344 5.361 50 10 JKGE FC(F)(F)[C@]12C[C@]([C@H](Br)c3sc(Cl)cc3I)(CO1)C2 2340938375 WBKGIOYRGKDVLF-OPRDCNLKSA-N 487.506 5.554 50 10 JKGE Fc1c(Br)cc(Cl)c([C@H](Br)[C@@H]2C[C@H]3O[C@H]2[C@@H]2C[C@H]32)c1Br 2362226864 XIRSGOMNPFKAMC-RYQFWNGMSA-N 489.404 5.864 50 10 JKGE Fc1c(Br)cc(Cl)c([C@@H](Br)[C@@H]2CCCC3(CC3)C2)c1Br 2362227060 ZOJBKFAGGMUQLB-PELKAZGASA-N 489.448 7.411 50 10 JKGE O=C(c1csc(Br)c1Br)N1CCC[C@@H](Cl)[C@@H]1C(F)(F)F 2370263424 DTUWTFQLIVRXRY-HTRCEHHLSA-N 455.521 5.047 50 10 JKGE Cc1cc(Cl)c([C@H](Br)c2cc(Br)c(Cl)cc2F)c(Cl)c1 2381299519 NBUMWEGFYOMJEQ-CQSZACIVSA-N 461.383 7.341 50 10 JKGE C/C(=N/NC(=O)c1ccc(NS(=O)(=O)c2cccs2)cc1)c1ccc(C(C)(C)C)cc1 13139823 DKDMNUACOWYTOZ-JLPGSUDCSA-N 455.605 5.000 50 10 JKGE CCCCOc1ccc(Br)cc1C(=O)NNC(=O)c1ccc(-c2ccccc2)cc1 14649735 BPEDGUTWIDPHRP-UHFFFAOYSA-N 467.363 5.370 50 10 JKGE CCOC(=O)/C(C#N)=C\c1cc(Br)c(OCc2ccc(F)cc2)c(Br)c1 16682040 MKIMOGWZAZUFQH-AUWJEWJLSA-N 483.131 5.400 50 10 JKGE Cc1ccc(N/C(SCc2ccccc2F)=C(/C#N)S(=O)(=O)c2ccccc2)cc1C 20325117 UZZVHFDXKCSZLS-WCWDXBQESA-N 452.576 5.954 50 10 JKGE COc1ccc(NC(=O)/C(C#N)=C2/S[C@H](Cc3ccc(C)cc3)C(=O)N2c2ccccc2)cc1 33915015 VEVDPZUVYFCVIQ-GUNDDFSMSA-N 469.566 5.069 50 10 JKGE N#CC1=C(N)Oc2cc(OC(=O)c3ccc(Cl)cc3Cl)ccc2[C@@H]1c1ccccc1Cl 38651006 FQVQENIOQKTRKR-NRFANRHFSA-N 471.727 6.084 50 10 JKGE CCCCOc1ccccc1[C@H]1C(C#N)=C(N)Oc2cc(OC(=O)c3ccc(C)cc3)ccc21 38682638 WBHNQIVMHDXNNB-AREMUKBSSA-N 454.526 5.611 50 10 JKGE CCCCCOc1ccccc1[C@H]1C(C#N)=C(N)Oc2cc(OC(=O)c3ccc(OC)cc3)ccc21 38686003 KFUSRLOQOGLZBG-HHHXNRCGSA-N 484.552 5.702 50 10 JKGE Cc1c(C(=O)Nc2cc(Cl)ccc2Cl)oc2c1/C(=N/NC(=O)c1ccc(O)cc1)CCC2 40812076 VLRSEEOLTQDWFB-WPWMEQJKSA-N 472.328 5.323 50 10 JKGE CC[C@H]1CCc2sc(C(=O)N/N=C(/C)c3ccc(OC)c(CSc4ncccn4)c3)cc2C1 59547160 OLJBBEUJGARQEM-WUBIRZFMSA-N 480.659 5.508 50 10 JKGE CCC(=O)[C@@H](Br)Cc1c(Br)cc(Br)cc1Br 71126210 USICETYDULUCTB-JTQLQIEISA-N 477.816 5.259 50 10 JKGE O=C(NC1CCCCCC1)[C@@H](c1ccc(F)cc1Cl)N(CCc1ccccc1)C(=O)CCl 97915025 CUFDTALJTOGUCH-XMMPIXPASA-N 479.423 5.669 50 10 JKGE CCCCCCCCCCCCCC(=O)NNC(=O)COc1ccccc1-c1ccccc1 100442838 MVBZNSYYPZMVHH-UHFFFAOYSA-N 452.639 6.581 50 10 JKGE N#CC(C#N)=C(N)/C(C#N)=C\c1ccc(-c2ccc(C(=O)OCc3ccccc3Cl)cc2)o1 101528718 JRWBIESIXQNXJH-ODLFYWEKSA-N 454.873 5.124 50 10 JKGE CCOc1ccc2nc(NC(=O)/C(C#N)=C\c3cc(C)n(-c4cccc(Cl)c4)c3C)sc2c1 102471141 NXJFLZBYQSHVKU-WQRHYEAKSA-N 476.989 6.302 50 10 JKGE CCCCCCCCCCOc1ccc(C(=O)N/N=C/c2ccc(N3CCCCC3)o2)cc1 105426799 HQPWGSKLRYPILK-XAYXJRQQSA-N 453.627 6.553 50 10 JKGE Brc1cc([C@@H](Br)[C@H]2CCCc3ccccc32)sc1Br 128200032 HNMFREVHKQDYGL-FZMZJTMJSA-N 465.048 6.829 50 10 JKGE CS(=O)(=O)c1cccc([C@H](Br)c2cc(Br)c(Br)s2)c1 128210221 RVXJQNZNYLJQSZ-NSHDSACASA-N 489.048 5.161 50 10 JKGE Cc1cc(Br)c([C@@H](Cl)c2sccc2Br)cc1Br 128725095 GDZMHGBPHAPHOV-LLVKDONJSA-N 459.428 6.672 50 10 JKGE COc1cc(/C=C(/C#N)c2nc(-c3ccccc3)cs2)ccc1OCc1cc(C)ccc1C 169939728 JCWHVOYQMPWMDO-UCQKPKSFSA-N 452.579 7.079 50 10 JKGE FC(F)(F)c1cc(CBr)ccc1Oc1ccc(I)cc1 218201434 CYRKDKLPIGRESC-UHFFFAOYSA-N 457.027 5.997 50 10 JKGE Fc1cccc(C[C@@H](Br)c2ccc(I)c(Cl)c2)c1F 232386404 XXGDDXVDFMMFAM-SNVBAGLBSA-N 457.483 5.902 50 10 JKGE COc1ccc([C@@H](Br)c2ccc(Cl)cc2Br)c(Br)c1 234979195 MWIXJBBKIXYFED-AWEZNQCLSA-N 469.398 6.358 50 10 JKGE O=C(Nc1ccc(CBr)cc1)c1cc(Cl)ccc1I 236067435 PNXHRBNJBWMQDO-UHFFFAOYSA-N 450.501 5.092 50 10 JKGE CC(=NNC(=O)CSc1nnc(SCc2cccc3ccccc23)s1)c1cccnc1 254556526 SRDDNKOEPIOMMV-UHFFFAOYSA-N 465.629 5.011 50 10 JKGE 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 257683070 YLQIANWVVVMWMO-XRALFDQXSA-N 482.661 6.123 50 10 JKGE biogenic CCn1nc(C)c(Br)c1COc1cccc(CBr)c1Br 315489017 AYQQQFZSRNUHGV-UHFFFAOYSA-N 466.999 5.210 50 10 JKGE O=C(OCc1ccccc1)N1C[C@@H](CI)[C@H](c2ccc(Cl)c(Cl)c2)C1 382706473 FPPGIKWNYBNZPK-CVEARBPZSA-N 490.168 5.781 50 10 JKGE Cc1cc([C@@H](Br)c2ccc(OCc3ccccc3)cc2)c(C)cc1Br 386444204 QHTMNFOEKMWTIV-QFIPXVFZSA-N 460.209 7.129 50 10 JKGE C[C@@H](Cl)c1nc2cc(Br)cnc2n1CCCOCCOCc1ccccc1 390607499 DCVSZQPMRCTCAH-OAHLLOKOSA-N 452.780 5.117 50 10 JKGE Cc1cc(Br)ccc1[C@H](Br)c1c(Br)cc(F)c(F)c1F 398739092 PKQVRPNKSSJAIT-LBPRGKRZSA-N 472.924 6.422 50 10 JKGE CC(C)(C)OC(=O)NCCN1CCCO[C@@H](c2ccccc2CCO[Si](C)(C)C(C)(C)C)C1 616655219 WPDVRZGDJVIRII-HSZRJFAPSA-N 478.750 5.539 50 10 JKGE Cc1cc(Br)c([C@H](Br)c2cnc(Cl)n2C)cc1Br 696498945 FVFXYWNURTYCAA-NSHDSACASA-N 457.391 5.391 50 10 JKGE Fc1ccc(Br)cc1COc1c(Br)cc(Cl)cc1CBr 708112071 ZYXULBWCPIYHJP-UHFFFAOYSA-N 487.388 6.478 50 10 JKGE Fc1cc(Br)ccc1C[C@H](Br)c1cc(Br)c(Cl)s1 709612167 CPPSMWGNRSDBDC-QMMMGPOBSA-N 477.418 6.744 50 10 JKGE O=C(CC[C@@H](O)c1ccccc1)NN=Cc1cn(Cc2ccc(Cl)c(Cl)c2)c2ccccc12 1083954494 RCTJAXQJJDWZEY-RUZDIDTESA-N 480.395 5.960 50 10 JKGE CCc1cccc(CC)c1NC(=O)C(=O)NN=Cc1ccccc1OCc1ccccc1Cl 1084596298 VCYSQFBHULOBTP-UHFFFAOYSA-N 463.965 5.133 50 10 JKGE CC1(C)Cc2cc(/C(=N/NC(=O)Nc3ccc(Cl)cc3)c3ccc(Cl)cc3)ccc2O1 1615951010 XNZUEPZDXPCURV-XAYXJRQQSA-N 454.357 6.281 50 10 JKGE Cc1cc(O[C@@H](C)C(=O)NN=Cc2cn(Cc3ccccc3)c3ccccc23)cc(C)c1Cl 1772756046 KFZKWWDGUIGOSI-FQEVSTJZSA-N 459.977 5.877 50 10 JKGE CCCOc1ccccc1/C=C/C(=O)Nc1cccc(C(=O)Nc2ccc(SC#N)cc2)n1 1860568143 IBPHZTQWIFAEMI-XNTDXEJSSA-N 458.543 5.348 50 10 JKGE COc1cc(-c2nc3ccc(C(=O)Nc4ccc(SC#N)cc4)cc3[nH]2)cc(OC)c1OC 1861859539 HSIDGCCEZMKROI-UHFFFAOYSA-N 460.515 5.081 50 10 JKGE CCOc1ccc([C@@H]2C(C#N)=C(N)Oc3c2c(-c2ccccc2)nn3Cc2ccc(C)cc2)cc1 1865692552 CEGFTLPPMZCXJC-RUZDIDTESA-N 462.553 5.524 50 10 JKGE Cc1nn(-c2ccccn2)c2c1[C@@H](c1ccc(OCc3ccc(Cl)cc3)cc1)C(C#N)=C(N)O2 1865695512 PDDBUOGDLMHPET-DEOSSOPVSA-N 469.932 5.026 50 10 JKGE COc1ccc(-c2nn(Cc3ccc(F)cc3)c3c2[C@@H](c2sccc2C)C(C#N)=C(N)O3)cc1 1865699472 VEQSIKCTPFBZCK-NRFANRHFSA-N 472.545 5.334 50 10 JKGE CSCC[C@H](NC(=O)C[C@H](c1ccc(C)c(C)c1)C1CC1)C(=O)Nc1ccc(SC#N)cc1 1866723994 KZAHTEJKDJBZPZ-ZEQRLZLVSA-N 481.687 5.637 50 10 JKGE Cc1ccc([C@H](CC(=O)N[C@H](C(=O)Nc2ccc(SC#N)cc2)c2ccccc2)C(C)C)cc1 1866735219 GDGSTIJEKNTLSH-VPUSJEBWSA-N 471.626 6.194 50 10 JKGE CC(C)c1nc(Nc2ccc(SC#N)cc2)cc(N2C[C@H](C)N(c3ccccc3)[C@H](C)C2)n1 1868231956 YHHAABISKYSJTG-BGYRXZFFSA-N 458.635 6.020 50 10 JKGE C[C@@H]1Cc2ccccc2N(c2cc(Nc3ccc(SC#N)cc3)nc(-c3cccnc3)n2)C1 1868565543 MTWHIALSPLVVEL-GOSISDBHSA-N 450.571 6.186 50 10 JKGE CCCCCCCCCOc1ccc(/C=C(\C#N)c2nc3ccccc3n2CC)cc1Br 1872730904 LGFZDAPWFLVHHK-RELWKKBWSA-N 494.477 8.012 50 10 JKGE Cc1cccc(C)c1OCCC/C(O)=C(\C#N)c1nc(-c2ccc(Cl)c(Cl)c2)cs1 1872749441 RLNICWPPZOIBMN-FXBPSFAMSA-N 459.398 7.386 50 10 JKGE Cc1ccc(-c2csc(/C(C#N)=C(\O)c3ccc4c(c3)C(=O)N(Cc3ccco3)C4=O)n2)cc1 1872749463 SGXALFFMKOBIAR-LNVKXUELSA-N 467.506 5.458 50 10 JKGE CCCCc1ccc(N2C[C@H](/C(O)=C(\C#N)c3nc(-c4ccc(F)c(C)c4)cs3)CC2=O)cc1 1872749917 NRBABCCXGSZJJY-NTKFOSSBSA-N 475.589 6.446 50 10 JKGE COc1cc(-c2csc(/C(C#N)=C(\O)c3cc(Cl)ccc3Cl)n2)c(OC)cc1Cl 1872756633 SYXVNLKQNIYGES-UYRXBGFRSA-N 467.761 6.737 50 10 JKGE COc1ccc(-c2csc(/C(C#N)=C(\O)CCCOc3ccc4ccccc4c3)n2)c2ccccc12 1872758518 DYXZQRPDEGRJHH-SGEDCAFJSA-N 492.600 7.777 50 10 JKGE CCCCOc1ccc(/C=C(\C#N)c2nc(-c3ccc(Cl)c(Cl)c3)cs2)cc1OC 1872790565 RBKRUYPUZSSQRW-LICLKQGHSA-N 459.398 7.369 50 10 JKGE CCCCCOc1ccc(/C=C(\C#N)c2nc(-c3cc(C)c(OC)cc3C)cs2)cc1OC 1872794564 IZWKFZAHPOWFDE-KGENOOAVSA-N 462.615 7.077 50 10 JKGE Cc1cc(Br)c(C(=O)N(C)C[C@H]2C[C@@H](Br)C2)cc1NC(=O)OC(C)(C)C 1887824441 ZQJUPENROGDOMD-BETUJISGSA-N 490.236 5.350 50 10 JKGE Cl[C@@H](c1ccc(OCc2ccccc2)cc1Br)c1sccc1Br 1899877387 RDRSSQHLXNJLLO-KRWDZBQOSA-N 472.629 7.180 50 10 JKGE Clc1cc(I)c([C@@H](Cl)c2cccc(OCc3ccccc3)c2)s1 1900917853 BFWVFWSKEMPVKK-KRWDZBQOSA-N 475.178 6.913 50 10 JKGE CC(C)[C@](C)(CBr)Cc1ccc(I)c(Br)c1 1904344487 VPLHGFMXEXPRFY-ZDUSSCGKSA-N 459.991 5.653 50 10 JKGE Cl[C@@H](c1cc(I)sn1)c1cc(Br)sc1Br 1909889818 VLJWJULXTPVZEV-SSDOTTSWSA-N 499.418 5.662 50 10 JKGE CC(C)[C@@H](CCl)N(Cc1ccccc1)C(=O)c1ccc(F)cc1I 1915289455 TZRNXUOHVMOXHF-GOSISDBHSA-N 459.730 5.336 50 10 JKGE CC1(C)[C@H]2CC[C@@H](C2)[C@H]1[C@H](Br)c1sc(Br)cc1Br 1922882437 GUJOEEGKFAIRQP-OSTYVCCYSA-N 457.069 6.781 50 10 JKGE Cc1c(Br)sc([C@H](Br)[C@@H]2[C@H](C)O[C@H](C)[C@H]2C)c1Br 1922953614 FTCLMDXGTJAJKU-OHVCGCLXSA-N 461.057 6.077 50 10 JKGE CCc1ccsc1[C@H](Br)c1c(Br)sc(Br)c1Cl 1923050650 XWZAZYUFSMECPB-SSDOTTSWSA-N 479.484 7.035 50 10 JKGE Cl[C@@H](c1c(Br)sc(Br)c1Br)C1CC2(CCOC2)C1 1924570705 MATLAJIGPRBDMY-ATZMEGNHSA-N 479.459 6.132 50 10 JKGE Cl[C@H](CC[C@H]1CCOC1)c1c(Br)sc(Br)c1Br 1924604418 BLLVFYNSCUVRDK-NKWVEPMBSA-N 467.448 6.132 50 10 JKGE CC(C)[C@H](CBr)N(Cc1ccccc1)C(=O)c1cscc1OCc1ccccc1 1934836716 WGJFFMPKKWQOKT-QFIPXVFZSA-N 472.448 6.389 50 10 JKGE Fc1c(CN(Cc2ccccc2)[C@@H](CBr)C2CC2)ccc(Cl)c1Br 2001884643 TXXOOXCXSSMSIQ-KRWDZBQOSA-N 475.627 6.417 50 10 JKGE Cc1sc(Br)cc1[C@H](Br)c1c(Cl)cccc1Br 2003558257 RTQJWAWGSBFELQ-LBPRGKRZSA-N 459.428 6.719 50 10 JKGE Clc1sc([C@H](Cl)c2c(Cl)sc(Br)c2Cl)cc1Br 2004903478 YJTXQZSYFJZTMF-YFKPBYRVSA-N 475.869 7.623 50 10 JKGE COc1ccc([C@@H](Br)c2csc(Br)c2Br)cc1Cl 2032958303 AHWJECSVSWSBBW-SNVBAGLBSA-N 475.427 6.419 50 10 JKGE Fc1ccc(I)cc1[C@@H](Br)c1ccc(Cl)cc1Cl 2050465912 ZSQQPMUAHUMUTJ-ZDUSSCGKSA-N 459.911 6.221 50 10 JKGE Brc1ccccc1[C@H](Br)CCc1ccc(I)cc1 2050532117 COJSQEXFYTWLDK-OAHLLOKOSA-N 479.981 6.123 50 10 JKGE C[C@@H](CCCCCBr)NC(=O)c1scc(Br)c1Br 2054156508 YZZGHBVTLNGRAT-QMMMGPOBSA-N 462.045 5.347 50 10 JKGE Cc1cccc(C)c1-n1nc(CBr)c(I)c1C(F)(F)F 2079261108 XAWHSEAFEQZWAI-UHFFFAOYSA-N 459.047 5.007 50 10 JKGE CCC12COC([C@@H](Cl)c3c(Br)sc(Br)c3Br)(C1)C2 2084484648 UUTZBBMSCFJGHP-RKWZHAFESA-N 479.459 6.275 50 10 JKGE Brc1cnsc1[C@H](Br)c1ccc(Br)c2ccccc12 2088927194 JAVPYXAYVVJURT-CYBMUJFWSA-N 462.004 6.306 50 10 JKGE O=C(N[C@H]1CCCC[C@@H]1CCBr)c1scc(Br)c1Br 2090573376 SRRGDEQUJIWLAP-SCZZXKLOSA-N 474.056 5.347 50 10 JKGE ClC[C@H](Cc1c(Br)cccc1Br)c1ccc(Br)cc1 2094096604 ZHLZYCHKQIVNKC-NSHDSACASA-N 467.426 6.539 50 10 JKGE CN(Cc1ccc(Br)cc1Br)[C@H](CCBr)C(F)(F)F 2121999754 ALOXOPWWLRYPRS-LLVKDONJSA-N 467.949 5.359 50 10 JKGE COCCCN(Cc1ccccc1)S(=O)(=O)c1cc(CBr)c(Cl)cc1Cl 2123248356 VROQZRQUJWRDND-UHFFFAOYSA-N 481.239 5.116 50 10 JKGE FC1(F)CC2(C1)C[C@]2(CBr)Cc1cccc(Br)c1Br 2132871762 IPAJYYUDFACASS-LBPRGKRZSA-N 458.966 5.955 50 10 JKGE COCc1ccc([C@H](Cl)c2c(Br)sc(Br)c2Br)cc1 2134743561 YCRGMNSVSFHWOU-NSHDSACASA-N 489.454 6.510 50 10 JKGE CCN(C[C@](C)(CI)OC[C@@H]1C[C@@H]1c1ccccc1)C(=O)OC(C)(C)C 2135979138 GQPMORXWWIWVJX-UEXGIBASSA-N 473.395 5.257 50 10 JKGE Fc1cc(Cl)c([C@H](Br)c2cc(Br)ccc2Br)cc1Cl 2139426834 QXAYYFNURQIQSQ-CYBMUJFWSA-N 491.807 7.142 50 10 JKGE Clc1ccc(CC(CBr)(CBr)C2CCOCC2)c(Br)c1 2144789575 XGRPOFXGMWCAQF-UHFFFAOYSA-N 489.473 5.848 50 10 JKGE C[C@](CI)(OC[C@H]1CCCCCO1)c1ccccc1Br 2152616879 AXLJYEMHDFZBAT-CZUORRHYSA-N 453.158 5.075 50 10 JKGE ClCCc1nc2cc(Br)c(Cl)cc2n1C[C@H]1CCCN1Cc1ccccc1 2159872870 ALFXJGJYQASBEA-MRXNPFEDSA-N 467.238 5.898 50 10 JKGE BrC[C@]12CCC[C@H]1N(Cc1cccc(Br)c1Br)CCC2 2165244332 SAMDCTDCCUHOJE-GDBMZVCRSA-N 466.055 5.741 50 10 JKGE Cc1cc(Br)c([C@H](Br)[C@@H]2CCn3nccc3C2)cc1Br 2165245692 LOMYBPJYYZQTSL-MEBBXXQBSA-N 463.011 5.415 50 10 JKGE Clc1ccc(I)c(CN2CCC[C@@H]3CC[C@H](Br)C[C@@H]32)c1 2167009934 IXEGJSGWZFXMKI-FFSVYQOJSA-N 468.604 5.473 50 10 JKGE Cc1cc(Br)c(C)c([C@H](Br)[C@H]2C[C@@]23CCCOC3)c1Br 2201068076 DBPQVZLAJSQCKB-HFBAOOFYSA-N 467.039 6.081 50 10 JKGE CCn1ncc(Br)c1[C@H](Cl)c1c(C)c(Br)cc(C)c1Br 2201080886 AYFAJMCNTFIJEU-CYBMUJFWSA-N 485.445 6.136 50 10 JKGE COc1cccc(OC)c1[C@H](Br)c1ccc(Br)cc1Br 2203688531 UTNHNHTXNLGZES-OAHLLOKOSA-N 464.979 5.713 50 10 JKGE Cc1c(Br)ccc([C@@H](Br)c2ccc(C(C)C)cc2)c1Br 2203689533 YOCDLQADLOGXFI-KRWDZBQOSA-N 461.035 7.128 50 10 JKGE Brc1cc([C@H](Br)c2ccc(-c3ccccc3)s2)c(Br)s1 2206123070 BHSXASJXXNUKSN-AWEZNQCLSA-N 493.083 7.486 50 10 JKGE Cc1c(Br)csc1[C@H](Cl)c1ccc(Br)cc1Br 2213775258 QLURJNURVBPNAQ-LLVKDONJSA-N 459.428 6.672 50 10 JKGE BrC[C@@H](Cc1ccccc1Br)Cc1cscc1Br 2219912329 AZHHFYHPRBNTRF-JTQLQIEISA-N 453.037 6.069 50 10 JKGE Clc1cc(Cl)cc(C[C@H](Br)c2ccccc2I)c1 2224003626 MNKDSVBRBDRKIY-ZDUSSCGKSA-N 455.948 6.277 50 10 JKGE C[C@@H]1O[C@H](C)C[C@@H]1[C@@H](Br)c1c(Br)cc(Cl)c(Cl)c1Cl 2224316749 HKMUTFNPIKGUGC-WAYXCLAOSA-N 451.413 6.659 50 10 JKGE COc1ccc([C@H](Cl)c2ccc(C)c(I)c2)c(Br)c1 2224621648 HCKWNPFXLIHPAN-OAHLLOKOSA-N 451.529 5.699 50 10 JKGE COCc1csc([C@H](Br)c2cc(Br)c(Br)cc2F)c1 2225615257 FJITZCHBFPIXHA-CYBMUJFWSA-N 472.999 6.043 50 10 JKGE Fc1ccc([C@@H](Cl)c2ccc(I)c(Br)c2)c(F)c1F 2225926341 QRIQTMJZKVOACS-NSHDSACASA-N 461.446 5.799 50 10 JKGE Cc1cc(Br)c([C@@H](Br)CC2CC(C)(C)C2)c(C)c1Br 2227349021 QFYHCCHMJZCGGQ-ZDUSSCGKSA-N 453.056 7.091 50 10 JKGE COCc1cc(Br)c([C@@H](Br)c2sc(C)c(C)c2Br)s1 2229321452 DHTUTTXKMPBXQK-LLVKDONJSA-N 489.092 6.582 50 10 JKGE O=C(c1scc(Br)c1Br)N1C[C@@H]2CCCC[C@]2(CBr)C1 2238793553 FFJLFUCLCFAAFO-XPTSAGLGSA-N 486.067 5.300 50 10 JKGE Fc1cccc(Cl)c1C[C@H](Br)c1c(F)cccc1I 2267653058 TYHLLGRECCTBDX-VIFPVBQESA-N 457.483 5.902 50 10 JKGE CC1CC2(C1)CC(CBr)(Cc1ccc(Br)cc1Br)C2 2272079561 FCAOZUGCQJUNAD-UHFFFAOYSA-N 451.040 6.346 50 10 JKGE C=CC[C@@]1(CBr)CCCN1Cc1cc(Br)ccc1Br 2272129199 SFGNHGRVQPXISW-HNNXBMFYSA-N 452.028 5.517 50 10 JKGE Clc1cc(Br)cc([C@H](Cl)Cc2cc(Br)cc(Br)c2)c1 2277963472 VBNWEVYHXPHVJT-CQSZACIVSA-N 487.844 7.150 50 10 JKGE CCOC(=O)c1cc(C(C)C)sc1NC(=O)C(C#N)=Cc1c[nH]nc1-c1ccc(F)cc1 2295672731 ZGMGJGPNWQXFDB-UHFFFAOYSA-N 452.511 5.123 50 10 JKGE Cc1ccccc1NC(=O)C(C#N)=C1S[C@@H](Cc2ccccc2Cl)C(=O)N1c1ccccc1C 2296506775 DVLJOTBNENLWSE-DEOSSOPVSA-N 488.012 6.022 50 10 JKGE CCCOC(=O)c1ccc(NC=C(C#N)c2nc(-c3cc4ccccc4oc3=O)cs2)cc1 2296798396 OVQJPVIBPSRBKH-UHFFFAOYSA-N 457.511 5.460 50 10 JKGE COc1ccc(C=C2CCC[C@H]3C2=NN(C(=O)C(C#N)=Cc2ccco2)[C@@H]3c2ccc(OC)cc2)cc1 2297021077 DHWUBFOYUAUVOK-LMSSTIIKSA-N 493.563 6.027 50 10 JKGE FC1(F)CCOC[C@@H]1[C@@H](Br)c1sc(Cl)cc1I 2300952794 AJIWOYMGFBFVRV-SVGQVSJJSA-N 457.505 5.114 50 10 JKGE Fc1ccc(Br)c([C@H](Cl)c2sc(Cl)cc2I)c1 2300954842 CPLDBNGCIZHIFY-JTQLQIEISA-N 465.940 6.236 50 10 JKGE Cc1nc(Oc2cc(Br)cc(I)c2)sc1CBr 2301128188 PGWPIRPERWREKE-UHFFFAOYSA-N 488.970 5.506 50 10 JKGE N#CC(=Cc1cc(Br)ccc1OCc1ccc(F)cc1)c1ccc([N+](=O)[O-])cc1 2313540976 HBVLPYFLZOPNPI-UHFFFAOYSA-N 453.267 6.140 50 10 JKGE CCOc1cc(C=C(C#N)c2ccc([N+](=O)[O-])cc2)cc(Cl)c1OCc1ccc(F)cc1 2313541102 SEIZQLRLNCGJSN-UHFFFAOYSA-N 452.869 6.429 50 10 JKGE CCOc1cc(C=C(C#N)c2nc3ccc(C)cc3[nH]2)c(Br)c(Br)c1O 2313631309 JYONZFTWHSFCJU-UHFFFAOYSA-N 477.156 5.565 50 10 JKGE CCOc1cc(C=C(C#N)C(=O)Nc2cccc(C)c2)ccc1OCc1ccc(Cl)cc1Cl 2313667529 OSKOFRAKMSUHJZ-UHFFFAOYSA-N 481.379 6.825 50 10 JKGE CC1(C)CCC[C@H]([C@@H](Br)c2cc(Br)ccc2OCc2ccccc2)O1 2314445373 OSSQYYKZUQFCLK-UXHICEINSA-N 468.229 6.812 50 10 JKGE CC[C@H](C[C@H](Br)c1ccc(OCc2ccccc2)cc1Br)C(C)(C)C 2314453873 ACOMMQDMQWVRFJ-XLIONFOSSA-N 468.273 7.927 50 10 JKGE N#CC(=Cc1ccc(-c2ccccc2[N+](=O)[O-])o1)c1nc(-c2ccc(Br)cc2)cs1 2314456949 LMZWALGHFTWQCX-UHFFFAOYSA-N 478.327 6.805 50 10 JKGE CC(C)c1ccc(N2C(=O)[C@@H](Cc3ccccc3)SC2=C(C#N)C(=O)NCc2ccccc2)cc1 2314593224 JWFNRJJOJZFJOJ-AREMUKBSSA-N 481.621 5.553 50 10 JKGE COc1ccc(N2C(=O)[C@@H](Cc3cccc(C)c3)SC2=C(C#N)C(=O)N[C@H](C)c2ccccc2)cc1 2314593805 TZGAHOWETQTCMD-FQRUVTKNSA-N 497.620 5.307 50 10 JKGE C=CCN1C(=O)C(=Cc2cn(-c3ccccc3)nc2-c2ccc(OCC)c(C)c2)C(C)=C(C#N)C1=O 2314617016 PAFCKVKWNPNPDS-UHFFFAOYSA-N 478.552 5.025 50 10 JKGE COc1cc(C=C2C(=O)N(C3CCCCC3)C(=O)C(C#N)=C2C)ccc1OCc1ccccc1 2314617288 VKPFVBOLTSKAEE-UHFFFAOYSA-N 456.542 5.199 50 10 JKGE COCCCN1C(=O)C(=Cc2ccc(OCc3ccc(Cl)cc3Cl)cc2)C(C)=C(C#N)C1=O 2314618852 VOPGEVNRDGRDDG-UHFFFAOYSA-N 485.367 5.201 50 10 JKGE CC(C)c1ccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)C=Cc4ccccc4Cl)ccc32)cc1 2314634296 YUAVXQZTENPKSQ-MHZLTWQESA-N 470.956 6.300 50 10 JKGE Fc1c(Br)cc(Cl)c([C@H](Br)[C@@H]2C[C@@H]2C(F)F)c1Br 2315450607 FWXJDJZDMRTVMO-PDJPSNROSA-N 471.336 6.341 50 10 JKGE CC(C)(C)[C@@H]1CC[C@@H]1[C@@H](Br)c1c(Br)sc(Br)c1Cl 2320100607 HDPZCPPCKCZPHX-LKEWCRSYSA-N 479.503 7.435 50 10 JKGE COc1cccc(C=C(C#N)c2ccc(C(=O)OC(C)C)o2)c1OCc1c(F)cccc1Cl 2331049732 NPJSDMDLDJXEPX-UHFFFAOYSA-N 469.896 6.289 50 10 JKGE CC(C)[C@@H](C(O)=C(C#N)c1nc(-c2ccc(Cl)cc2Cl)cs1)N1C(=O)c2ccccc2C1=O 2331251516 WUAXSVDJJAOYOF-FQEVSTJZSA-N 498.391 6.230 50 10 JKGE N#CC(=C(O)c1cc(Cl)ccc1Cl)c1nc(-c2ccc(Br)cc2)cs1 2331260276 SYJBVIJJHOLDAE-UHFFFAOYSA-N 452.160 6.829 50 10 JKGE CC(C)(C)c1ccc(-c2csc(C(C#N)=C(O)COc3ccc(Cl)cc3Cl)n2)cc1 2331332032 XMOKUCKARQTUAX-UHFFFAOYSA-N 459.398 7.286 50 10 JKGE COc1c(Cl)cc(Cl)cc1-c1csc(C(C#N)=C(O)Cc2ccc(F)cc2F)n1 2331362386 DSAVDGYUFTVMRK-UHFFFAOYSA-N 453.297 6.439 50 10 JKGE COc1c(C)cc(C)cc1-c1csc(C(C#N)=C(O)c2ccc3c(c2)C(=O)N(C(C)C)C3=O)n1 2331371936 SUSCSTYNJNBJFJ-UHFFFAOYSA-N 473.554 5.390 50 10 JKGE COc1ccc(Cl)cc1-c1csc(C(C#N)=C(O)c2cc([N+](=O)[O-])cc([N+](=O)[O-])c2C)n1 2331411909 PMOKKGPUHMUPTM-UHFFFAOYSA-N 472.866 5.547 50 10 JKGE COc1ccc(-c2csc(C(C#N)=Cc3ccc(OCc4ccc(Cl)cc4)c(OC)c3)n2)cc1 2331431444 GMQJXCSQWMMMCC-UHFFFAOYSA-N 488.996 7.124 50 10 JKGE CCOc1ccc(-c2csc(C(C#N)=Cc3cc(Br)cc(OC)c3O)n2)cc1 2331441077 VMFHEXWYVASTDR-UHFFFAOYSA-N 457.349 5.750 50 10 JKGE Cl[C@H](c1c(Br)sc(Br)c1Br)[C@H]1OC[C@@H]2CCCC[C@H]12 2333520537 NFFCADULSDYORV-JDYBYMESSA-N 493.486 6.521 50 10 JKGE Fc1cc(Br)c(Br)cc1[C@@H](Br)[C@@H]1OC[C@@H]2CCC[C@@H]21 2333605644 TUEKKZLVCMNVMI-JIQLLMHVSA-N 456.975 5.602 50 10 JKGE Brc1cc(OCc2ccccc2)ccc1[C@@H](Br)c1ccc2c(c1)CCC2 2336049200 APEZYBMRPWGCBJ-QHCPKHFHSA-N 472.220 7.001 50 10 JKGE CCOc1ccc([C@H](Br)c2ccc(OCc3ccccc3)cc2Br)cc1 2336050119 IHYPVJASHKLVBP-QFIPXVFZSA-N 476.208 6.911 50 10 JKGE CCN(C[C@](C)(CBr)OCc1ccc(F)c(C)c1Cl)C(=O)OC(C)(C)C 2339304049 XJZQQJLAWNXJHZ-IBGZPJMESA-N 452.792 5.715 50 10 JKGE C[C@@H](Cl)c1nc2c(Br)cc(F)cc2n1[C@@H]1CN(Cc2ccccc2)C[C@H]1C 2357223446 ZYDZABPZCNAYPX-PJIJBLCYSA-N 450.783 5.931 50 10 JKGE FC(F)Oc1ccc([C@H](Br)c2cc(Br)ccc2OCc2ccccc2)cc1 2361175760 CHIWOGMBKFSHFH-FQEVSTJZSA-N 498.161 7.114 50 10 JKGE Fc1c(Br)cc(Cl)c([C@H](Br)[C@H]2C[C@@H]2C2CCCC2)c1Br 2362225728 WNFWSABRSDIWFG-VYUIOLGVSA-N 489.448 7.266 50 10 JKGE CC[C@H](CC(F)(F)F)[C@H](Cl)c1c(Cl)cc(Br)c(F)c1Br 2362254146 WUASMZUZHSAATC-FWOIEVBISA-N 460.918 7.263 50 10 JKGE CN(c1cc(Cl)c(F)cc1CBr)[C@@H]1C[C@@H]2C[C@@H](OCc3ccccc3)C[C@@H]21 2362382822 JEKFUXBHFTZOGX-KANGHSEISA-N 452.795 6.194 50 10 JKGE COc1cc(Cl)c(Cl)cc1[C@H](Cl)c1c(Br)c(Br)nn1C 2364234827 LWKWHDGNQRSVKV-JTQLQIEISA-N 463.384 5.589 50 10 JKGE COc1c(Br)cc(C)c([C@H](Br)[C@@H]2C[C@H]3CCC[C@H]32)c1Br 2365236368 OUKZRBOHKNRGSD-ZHSDAYTOSA-N 467.039 6.401 50 10 JKGE COCCc1ccc([C@@H](Br)c2ccc(Cl)cc2I)cc1 2365594250 YRMNHNMIGDOGQJ-MRXNPFEDSA-N 465.556 5.618 50 10 JKGE CC(C)(C)OC(=O)N1CCC[C@](CBr)(OCCCc2cc(Cl)cc(Cl)c2)C1 2366938219 VTISQJSJWIYZNI-HXUWFJFHSA-N 481.258 6.107 50 10 JKGE ClCCCCC1CCN(Cc2ccc(I)c(Br)c2)CC1 2377318909 VTLFIAKIWXHJIO-UHFFFAOYSA-N 470.620 5.675 50 10 JKGE Cc1ccc(CN(C(=O)CCl)[C@H](C(=O)NC2CCCCC2)c2cccc(Br)c2)cc1 3040221 RTZDVBBRNGEDOM-QHCPKHFHSA-N 491.857 5.515 50 10 JKGE C[C@H]([C@H](Cl)c1ccccc1)[n+]1c(-c2ccccc2)cc(-c2ccccc2)cc1-c1ccccc1 15770957 OCYXPKNTLXUKNK-QNLPTKCRSA-N 461.028 8.516 50 10 JKGE CCCOc1ccc(/C=C(\C#N)C(=O)Nc2scc(-c3ccc(C)cc3)c2C(=O)OCC)cc1 33346505 KAJHDBZTEZJHGQ-RCCKNPSSSA-N 474.582 6.235 50 10 JKGE CCOC(=O)/C(C#N)=C\c1cc(Cl)c(OCCOc2ccc([C@H](C)CC)cc2)c(OC)c1 33604261 YADKEAYJJRITAU-VJOZSWGJSA-N 457.954 5.790 50 10 JKGE Cc1ccc(NC(=O)/C(C#N)=C\c2c(Oc3cccc(C)c3C)nc3ccccn3c2=O)cc1C 39858800 ORCDBIJFWPKUBU-QNGOZBTKSA-N 464.525 5.266 50 10 JKGE Cc1c(C(=O)Nc2ccc(Br)cc2)oc2c1/C(=N/NC(=O)c1ccccc1)CCC2 40804247 MPJLDYVJZQUVKA-NLRVBDNBSA-N 466.335 5.073 50 10 JKGE Cc1ccnc(NC(=O)c2oc3c(c2C)/C(=N/NC(=O)C(c2ccccc2)c2ccccc2)CCC3)c1 40815593 PBSVGEGNFVKNCG-GZZLJNBRSA-N 492.579 5.532 50 10 JKGE Cc1ccccc1COc1cccc(/C=N/NC(=O)CSc2nnc(-c3ccccc3)s2)c1 40947824 DKWCILFAIXLWNP-CVKSISIWSA-N 474.611 5.335 50 10 JKGE CCOc1c(Br)cc(/C=N/NC(=O)[C@@H](C)Oc2cc(C)c(Cl)c(C)c2)cc1OC 40960407 CTGYKBDFVJSUEP-VXHUXDJESA-N 483.790 5.044 50 10 JKGE CCS(=O)(=O)c1ccc(-c2nn(-c3ccccc3)cc2/C=C(\C#N)c2nc3ccccc3[nH]2)cc1 50743948 RVLASLVIFNBWOR-CAPFRKAQSA-N 479.565 5.273 50 10 JKGE Cc1ccc(C(C)C)c(OCC(=O)N/N=C2/C(=O)N(C/C=C/c3ccccc3)c3ccccc32)c1 59167026 YNSZMLZYKDIPLZ-RGASSPCTSA-N 467.569 5.078 50 10 JKGE COc1cc(/C=C(/C#N)C(=O)Nc2ccc(C)cc2)cc(Br)c1OCc1cccc(F)c1 59335372 AKJDMZWIKNQPLN-GRSHGNNSSA-N 495.348 6.030 50 10 JKGE O=C(N/N=C/c1ccc(OCc2ccc(Br)cc2)cc1)c1ccc(Cl)cc1Cl 59445183 ZLHDOGNALYFWAL-BRJLIKDPSA-N 478.173 6.099 50 10 JKGE COc1ccc([C@@H](Br)c2cc(C)c(Br)cc2C)cc1Br 70472200 KSNBLMWFYCBGSE-MRXNPFEDSA-N 463.007 6.321 50 10 JKGE Brc1ccc([C@@H](Br)c2ccccc2I)s1 71102905 FLPAGDVVZAJQEG-NSHDSACASA-N 457.956 5.600 50 10 JKGE CCCCC1CCC(C(=O)Nc2ccc(C[C@H](Br)C(C)C)cc2OCC)CC1 71436683 PWUPMBWVRZWGRX-MNLRITNHSA-N 452.477 6.982 50 10 JKGE BrC[C@@H](Cc1ccc(Br)s1)Cc1ccccc1Br 97185922 CJPCGGKYEQPVJM-SNVBAGLBSA-N 453.037 6.069 50 10 JKGE O=C(NC1CCCCCC1)[C@H](c1ccc(F)cc1Cl)N(CCC1=CCCCC1)C(=O)CCl 97915026 ZWIFDXFRFJOLBX-DEOSSOPVSA-N 483.455 6.317 50 10 JKGE CCCN1C(=O)C(C#N)=C(C)/C(=C\c2cn(-c3ccccc3)nc2-c2ccc(SCC)cc2)C1=O 101332806 VUROEEFCMYNFNV-LFVJCYFKSA-N 482.609 5.654 50 10 JKGE COc1ccc(CN2C(=O)C(C#N)=C(C)/C(=C\c3ccc(-c4ccc(Cl)cc4Cl)o3)C2=O)cc1 101340004 TUDSTYSKVFIRPA-CIAFOILYSA-N 493.346 6.054 50 10 JKGE Clc1ccc(Cl)c([C@H](Br)c2cc(Br)ccc2Br)c1 109844598 CFBXCGCVWSDXHW-CYBMUJFWSA-N 473.817 7.003 50 10 JKGE FC(F)(F)c1ccccc1[C@H](Br)c1cc(Br)sc1Br 109870190 GUTKUZPULSDTKA-JTQLQIEISA-N 478.953 6.776 50 10 JKGE Clc1cccc(C(CBr)(CBr)Cc2ccc(Br)cc2)c1 118878200 AAWYBEPMDAEREG-UHFFFAOYSA-N 481.453 6.373 50 10 JKGE COc1c(C)cc(Br)c(C)c1[C@H](Br)c1cccc(Br)c1 125684167 LKJMGCFKHONDMY-OAHLLOKOSA-N 463.007 6.321 50 10 JKGE O=C(N/N=C/c1c(Cl)cccc1Cl)c1cc(-c2ccccc2)nc(N2CCCCC2)n1 169927524 YMQZBFBJDWRJHN-CVKSISIWSA-N 454.361 5.205 50 10 JKGE COc1ccc(Cl)cc1NC(=O)/C(C#N)=C\Nc1cc(C(F)(F)F)cc(C(F)(F)F)c1 217165957 QLRAVCDMKILHSJ-KTKRTIGZSA-N 463.765 5.844 50 10 JKGE CCOc1ccc([C@H](Br)c2cc(Br)ccc2I)cc1 233790320 HHFAONPPPIINJY-HNNXBMFYSA-N 495.980 5.937 50 10 JKGE Clc1cnccc1COc1c(Br)cc(CBr)cc1Br 236035854 LCUOSMTVVJNTGG-UHFFFAOYSA-N 470.386 5.734 50 10 JKGE CC(=NNC(=O)c1cccc(OC(F)(F)C(F)F)c1)c1ccc(NC(=O)c2ccc(C)o2)cc1 252641134 ZAHMARZMCKCJFE-UHFFFAOYSA-N 477.414 5.231 50 10 JKGE O=C(CCCCCCC(=O)NN=Cc1ccc(Cl)s1)NN=Cc1ccc(Cl)s1 254478439 GDPVCWUNGYIZGU-UHFFFAOYSA-N 459.424 5.057 50 10 JKGE CCCCOc1ccc(C(=O)Oc2ccc(C=NNC(=O)COc3ccc4ccccc4c3)cc2)cc1 254703451 UWZWGCKLBRHUJM-UHFFFAOYSA-N 496.563 5.767 50 10 JKGE C[C@H](Cl)c1nc2cc(I)ccc2n1[C@@H](C)[C@@H]1CCN(Cc2ccccc2)C1 312489220 JVHCXOHSYRQLHH-XYJFISCASA-N 493.820 6.024 50 10 JKGE BrCC(CBr)(CCOCc1ccccc1)c1cccc(Br)c1 380974222 GLEJFQBOFSLUBQ-UHFFFAOYSA-N 491.061 6.084 50 10 JKGE CC(C)(C)[Si](C)(C)OCCN1CCN[C@@H](c2cccc(CO[Si](C)(C)C(C)(C)C)c2)C1 616654797 QMEYBXUVKDNFHL-HSZRJFAPSA-N 464.843 6.177 50 10 JKGE Brc1csnc1[C@H](Br)c1cc(Br)c2c(c1)CCCO2 689543862 HYGIYDCRCVUNCJ-LLVKDONJSA-N 468.008 5.477 50 10 JKGE C[C@@H]1CCCN(C(=O)c2cc(Br)sc2Br)[C@H]1CCBr 700387549 KMBNCMRUKAUPGW-SCZZXKLOSA-N 474.056 5.299 50 10 JKGE CCOc1ccc([C@H](Br)Cc2ccccc2Br)cc1Br 709560216 JNINEVKLOKMROX-CQSZACIVSA-N 463.007 6.289 50 10 JKGE BrCc1cc(Br)c(OC[C@H]2CC[C@@H](C3CC3)O2)c(Br)c1 715464588 BIOIUXMTYXQUAC-RISCZKNCSA-N 469.011 5.443 50 10 JKGE COc1cc(C=NNC(=O)CC[C@@H](O)c2ccccc2)ccc1OCc1ccc2ccccc2c1 725433976 LRONVHQQXSUCSG-AREMUKBSSA-N 468.553 5.391 50 10 JKGE Cc1ccccc1-n1c(C)cc(C=NNC(=O)CSCc2ccccc2Br)c1C 725443104 TUBQUKRPMKPALV-UHFFFAOYSA-N 470.436 5.549 50 10 JKGE O=C(NN=Cc1cccc(OCc2cccc3ccccc23)c1)c1ccc(OCc2ccccc2)cc1 1084433215 REFWOVDGVFHDEB-UHFFFAOYSA-N 486.571 6.762 50 10 JKGE CC(C)(C)OC(=O)N1C[C@H](c2cc3ccccc3nc2Cl)[C@@H](CI)C1 1614692812 OZJGYSFPHRBYCK-ZFWWWQNUSA-N 472.754 5.274 50 10 JKGE O=C(CSc1nc(-c2ccccc2)cs1)NN=Cc1cn(Cc2ccccc2)c2ccccc12 1772755278 YTMMHAZAIJFLMY-UHFFFAOYSA-N 482.634 6.056 50 10 JKGE COc1cc(C=NNC(=O)[C@@H](C)Oc2cc(C)c(Cl)c(C)c2)ccc1OCc1ccc(C)cc1 1772755867 HLBXEFSSEMQVEW-HXUWFJFHSA-N 480.992 5.770 50 10 JKGE CCc1ccc(OCCCOc2cccnc2NC(=O)Oc2ccc([N+](=O)[O-])cc2F)cc1 1858692542 SIIWLYXARCIGDP-UHFFFAOYSA-N 455.442 5.150 50 10 JKGE CCCc1nn(Cc2c(F)cccc2Cl)c2c1[C@@H](c1cc(Cl)ccc1O)C(C#N)=C(N)O2 1865689042 ILKXCTWHPMQMKZ-FQEVSTJZSA-N 473.335 5.254 50 10 JKGE CCCCOc1c(Br)cc([C@H]2C(C#N)=C(N)Oc3c2c(CC)nn3CCC)cc1OC 1865693077 RGNNOWVLPOKMKP-IBGZPJMESA-N 489.414 5.024 50 10 JKGE N#CC1=C(N)Oc2c(c(C(F)(F)F)nn2-c2cccc3ccccc23)[C@H]1c1cccc([N+](=O)[O-])c1 1865706344 UIHVSHNAVUXKCO-IBGZPJMESA-N 477.402 5.171 50 10 JKGE CCOC(=O)c1c(-c2ccc(OC)cc2)csc1NC(=O)/C(C#N)=C/c1ccc(OC)cc1 1866126417 POVXENGJUWHJKK-QGOAFFKASA-N 462.527 5.155 50 10 JKGE CN1CCN(c2cc(Nc3ccc(SC#N)cc3)nc(-c3cccnc3)n2)C[C@H]1c1ccc(F)cc1 1868565991 SVEOXUFXCBSGDO-DEOSSOPVSA-N 497.603 5.488 50 10 JKGE COc1cc2nc(/C(C#N)=C/c3ccc(OCc4c(F)cccc4Cl)cc3)nc(O)c2cc1OC 1872727775 ZGVUHRGCYJJCPW-MHWRWJLKSA-N 491.906 5.788 50 10 JKGE CCc1ccc(-c2csc(/C(C#N)=C(\O)[C@@H](CCSC)N3C(=O)c4ccccc4C3=O)n2)cc1 1872744457 SRPTWMMQIXMNCU-LAGVDGIJSA-N 489.622 5.583 50 10 JKGE C[C@H](Oc1ccc(Cl)cc1Br)/C(O)=C(\C#N)c1nc(-c2ccc(F)c(F)c2)cs1 1872751408 GVGRZNYSBQLZCC-XEVDPLJKSA-N 497.748 6.764 50 10 JKGE CCCCCCCOc1ccc(-c2csc(/C(C#N)=C(\O)[C@@H]3CC(=O)N(C(C)(C)C)C3)n2)cc1 1872753308 QNVHYRCNTFIQLC-AYZDXIITSA-N 481.662 6.599 50 10 JKGE N#C/C(=C(/O)c1ccc(Cl)c(Cl)c1)c1nc(-c2ccc(Oc3ccccc3)cc2)cs1 1872753757 LQFYRJPWGRLGJT-NMWGTECJSA-N 465.361 7.859 50 10 JKGE COc1cc(/C=C(\C#N)c2nc(-c3cccc(Cl)c3)cs2)ccc1OCCCc1ccccc1 1872790118 MARRWOFJEVGDML-HZHRSRAPSA-N 487.024 7.548 50 10 JKGE CCOc1cc(/C=C(\C#N)c2nc(C(C)(C)C)cs2)ccc1OCc1c(Cl)cccc1Cl 1872790572 RGGMMPSYXWXWHG-GZTJUZNOSA-N 487.452 7.789 50 10 JKGE COc1cc(OC)c(-c2csc(/C(C#N)=C/c3cc(Cl)c(O)c(OC)c3)n2)cc1Cl 1872793825 VGIMSBSCLOVJAS-UUILKARUSA-N 463.342 5.912 50 10 JKGE CC(C)[C@H](CBr)N(Cc1ccccc1)C(=O)c1cc(F)cc(Br)c1 1915298714 WPJDPDXCQNUBAM-SFHVURJKSA-N 457.181 5.650 50 10 JKGE Fc1ccc([C@@H](Cl)c2sc(Br)cc2Br)c(Br)c1 1922943725 WQHZUVABBCDLLT-SNVBAGLBSA-N 463.391 6.503 50 10 JKGE Cl[C@H](Cc1cccc(Br)c1)c1sc(Br)cc1Br 1922944441 YTAULGHQKPSDSW-SNVBAGLBSA-N 459.428 6.558 50 10 JKGE Clc1ccc([C@H](Cl)c2sc(Br)cc2Br)cc1Br 1922944450 YXCVFUSGVNGAHY-JTQLQIEISA-N 479.846 7.017 50 10 JKGE C[C@@H]1CCC[C@H]1[C@@H](Br)c1c(Br)sc(Br)c1Cl 1923068713 VMVZHJHBEINXLX-ATRFCDNQSA-N 451.449 6.799 50 10 JKGE Clc1c(Br)sc(Br)c1[C@H](Br)[C@@H]1[C@@H]2CCCO[C@H]21 2007592560 KROWYEZKTNYUMR-BWDYXRCQSA-N 465.432 5.788 50 10 JKGE Cc1c(Br)ccc([C@@H](Br)c2ccsc2Cl)c1Br 2024292748 LAYUHYPRAJCUTJ-LLVKDONJSA-N 459.428 6.719 50 10 JKGE Cc1ccc([C@@H](Br)c2ccc(Br)cc2I)cc1 2026221838 QALVYFPXSIPFGL-CQSZACIVSA-N 465.954 5.846 50 10 JKGE CCc1cc(Br)c([C@H](Cl)c2ccc(F)cc2I)s1 2029239455 OXOYRYCHXZCISR-GFCCVEGCSA-N 459.549 6.145 50 10 JKGE Cc1c(Br)sc([C@H](Br)[C@H]2CC3(CCC3)CO2)c1Br 2047662983 HYYSQXRDLYJXSH-PSASIEDQSA-N 459.041 5.977 50 10 JKGE Fc1ccc([C@H](CBr)Cc2c(Br)cccc2Br)cc1 2094095765 PPGNUJDUBQAWJZ-NSHDSACASA-N 450.971 6.072 50 10 JKGE Cc1csc(CN(C)c2ccc(Br)cc2CBr)c1Br 2100798584 GWPAUYGSOQRUNK-UHFFFAOYSA-N 468.052 6.113 50 10 JKGE Fc1cccc([C@@H](Br)CCc2ccc(Br)cc2Br)c1 2113382163 RGHTXPAIRVCPRH-AWEZNQCLSA-N 450.971 6.420 50 10 JKGE FCCOc1ccc([C@@H](Br)c2cc(Br)c(Br)s2)cc1 2132965501 HBKKMMATTLSABI-GFCCVEGCSA-N 472.999 6.106 50 10 JKGE Cc1cc(Br)c(C)c([C@@H](Br)[C@@H](C)CC(C)(C)C)c1Br 2136366593 JNYGGWOLZBRAPN-BONVTDFDSA-N 455.072 7.337 50 10 JKGE Cc1c(Br)ccc([C@@H](Br)C2(CC(F)F)CCC2)c1Br 2138860551 FCYVCWGDKLLTJO-CYBMUJFWSA-N 460.982 6.782 50 10 JKGE Cc1cccc(Br)c1[C@@H](Cl)c1ccc(Br)c(C)c1Br 2138866739 VGPXTTHKAXEODT-HNNXBMFYSA-N 467.426 6.919 50 10 JKGE Clc1cc(CN2[C@H](CBr)C[C@H]3CCC[C@@H]32)ccc1I 2142950185 PJHMCOJSWSMJBO-XUJVJEKNSA-N 454.577 5.083 50 10 JKGE CC1CCC2(CC1)[C@@H](Br)C[C@H]2Oc1ccc(Br)cc1Br 2157074403 CSZJJVLSBIOXHQ-HUJAQRGZSA-N 467.039 6.323 50 10 JKGE CC1=CC(C)(C)Nc2c(C(=O)N/N=C3/C(=O)N(Cc4ccccc4)c4ccccc43)cc(C)cc21 2185889185 IWJOBQSILCLLEL-GKPLWNPISA-N 464.569 5.283 50 10 JKGE Fc1ccc(N2CCN(Cc3ccccc3)C[C@@H]2C(F)(F)F)c(CBr)c1Cl 2186713420 UUQIENCLIQLFET-QGZVFWFLSA-N 465.716 5.627 50 10 JKGE FC(F)(F)C1([C@H](Br)c2ccc(Br)cc2Br)CCOCC1 2203684899 OVEBWSZZPHHMQD-LLVKDONJSA-N 480.944 6.007 50 10 JKGE CCN1C[C@@H](c2sc(Br)c(Br)c2Br)[C@@H](Cl)C1 2212201165 UHVKQJNUJAKKTN-RITPCOANSA-N 452.437 5.062 50 10 JKGE CCc1sc(Br)cc1[C@H](Br)c1scc(Br)c1C 2213775184 PYTKPWYIYJYSFF-NSHDSACASA-N 459.066 6.690 50 10 JKGE Cc1c(Br)sc([C@H](Br)[C@@H]2OC[C@@H]3CCC[C@@H]32)c1Br 2218094367 ZNVDUOLCVBARTK-OINDSLJFSA-N 459.041 5.833 50 10 JKGE Cc1c(Br)sc([C@@H](Br)Cc2ccc(Br)cc2)c1C 2218791881 UYADNVVEIDEORO-LBPRGKRZSA-N 453.037 6.569 50 10 JKGE Cc1csc([C@H](Br)c2cc(Br)c(Br)cc2F)c1C 2218820261 MBDKSEIPKYQUGR-GFCCVEGCSA-N 457.000 6.513 50 10 JKGE COc1ccc([C@@H](Cl)c2ccc(C)c(I)c2)cc1Br 2224622904 XJJQUBAFEAKOHQ-OAHLLOKOSA-N 451.529 5.699 50 10 JKGE CCOCc1cc(Br)c([C@H](Br)c2cccc(OCc3ccccc3)c2)s1 2224791765 ICXDJWQORBJCSG-HXUWFJFHSA-N 496.264 7.110 50 10 JKGE CCc1cscc1[C@H](Br)c1c(Br)cc(C)c(Br)c1C 2227367646 ITQIUVMEYIVJMK-HNNXBMFYSA-N 467.064 6.937 50 10 JKGE Cc1cc(Br)c([C@H](Cl)c2cc(Cl)ccc2Br)c(C)c1Cl 2232530727 UPQFOTZZAHWYMH-OAHLLOKOSA-N 457.420 7.463 50 10 JKGE Cc1cc(Br)c([C@H](Br)c2cc(Br)c3c(c2)C[C@@H](C)O3)s1 2237635613 QECADLPBPVHECV-FUXBKTLASA-N 481.047 6.389 50 10 JKGE C[C@@H](Cl)c1nc2cccnc2n1-c1ccc(Br)cc1I 2240010032 FTTIEFMSTQZLSO-MRVPVSSYSA-N 462.516 5.087 50 10 JKGE Fc1cccc(I)c1[C@H](Br)c1cc(Cl)ccc1Cl 2255906899 OMLUMBDLTLNMFV-CYBMUJFWSA-N 459.911 6.221 50 10 JKGE COc1cc(OC)c([C@@H](Br)c2cscc2OCc2ccccc2)cc1Cl 2264475950 JZQSZPMVZJSEEV-HXUWFJFHSA-N 453.785 6.482 50 10 JKGE CC(C)c1cc(Br)cc([C@H](Cl)c2cc(Br)c(Br)s2)c1 2265967152 LNTAPXZKNDQOSM-ZDUSSCGKSA-N 487.482 7.487 50 10 JKGE C[C@]1(C(F)F)C[C@@H]1[C@H](Br)c1c(F)cc(Br)c(F)c1Br 2272739981 OQBKLSZTZVNDAU-RHYIXAIDSA-N 468.908 6.217 50 10 JKGE CC(C)C[C@@H](C(C)C)[C@@H](Br)Cc1cc(Br)cc(Br)c1 2277962955 OAXLWYOORRWEKK-HOTGVXAUSA-N 455.072 6.836 50 10 JKGE Cc1oc(C)c([C@H](Br)Cc2cc(Br)cc(Br)c2)c1C 2277963049 PAQQCSAREINNJS-CQSZACIVSA-N 450.996 6.409 50 10 JKGE CC1(C)CCC[C@H]([C@H](Br)Cc2cc(Br)cc(Br)c2)C1 2277966539 UDVRKKOCAHCDRL-SWLSCSKDSA-N 453.056 6.734 50 10 JKGE Cc1ccc([C@@H](Br)c2c(F)cc(Br)c(F)c2Br)cc1F 2288373069 FBJGKWZLSBXQGN-GFCCVEGCSA-N 472.924 6.422 50 10 JKGE COc1c(Br)cc([C@H](Br)c2cc(Br)sn2)c(OC)c1C 2295431545 XUTGBNSVFFNTNV-NSHDSACASA-N 486.023 5.478 50 10 JKGE COc1ccc(C=C(C#N)C(=O)Nc2cccc(C(=O)O)c2)cc1OCc1ccccc1Cl 2295459752 UQSVROZCRRJPSU-UHFFFAOYSA-N 462.889 5.171 50 10 JKGE Cc1cc(C=C(C#N)C(=O)Nc2ccc([N+](=O)[O-])cc2Br)c(C)n1-c1cccc(Cl)c1 2297491142 BDIWNMGUEHCFFM-UHFFFAOYSA-N 499.752 5.964 50 10 JKGE Brc1cc(C[C@H]2CCSCC[C@@H]2Br)ccc1I 2306200401 XIGQUYTXOGUBTH-MNOVXSKESA-N 490.042 5.503 50 10 JKGE COc1cc(C=C(C#N)C(=O)Nc2cc(C)ccc2C)cc(Br)c1OCc1ccccc1 2313518153 NMOGHKCNJSGAOK-UHFFFAOYSA-N 491.385 6.199 50 10 JKGE N#CC(=Cc1ccc(OCc2ccccc2Cl)cc1)C(=O)N1CCN(c2ccccc2)CC1 2313545987 UNHRXWPOHRJLNH-UHFFFAOYSA-N 457.961 5.175 50 10 JKGE COc1cc(C=C(C#N)C(=O)Nc2ccc(Cl)c(Cl)c2)ccc1OCc1cccc(Cl)c1 2313631572 RZDWZZDFXKPRKA-UHFFFAOYSA-N 487.770 6.780 50 10 JKGE Cc1ccc(-c2csc(C(C#N)=Cc3cn(-c4ccccc4)nc3-c3ccc(Cl)cc3)n2)cc1 2314489902 WEKWCTXMXLXKHH-UHFFFAOYSA-N 479.008 7.689 50 10 JKGE Cc1c(Cl)sc(Cl)c1[C@H](Cl)c1ccc(Br)cc1I 2314505896 NOYHABXVXZYBFE-SNVBAGLBSA-N 496.422 7.059 50 10 JKGE COc1cc(C=C(C#N)C(=O)NC(C)C)ccc1OC(=O)COc1ccc(-c2ccc(C)cc2)cc1 2314737761 QPHHMQAZICSMPI-UHFFFAOYSA-N 484.552 5.087 50 10 JKGE Clc1cc(I)c([C@H](Br)[C@H]2Cc3ccccc3O2)s1 2316598968 KIOFWWKTIDXOJK-ZYHUDNBSSA-N 455.542 5.446 50 10 JKGE CCc1cc(Br)c([C@@H](Cl)c2c(Br)c(Br)nn2C)s1 2316727102 SPUAXLIFHGQLFD-QMMMGPOBSA-N 477.447 5.660 50 10 JKGE FC(F)(F)c1sccc1[C@H](Br)c1sc(Cl)cc1I 2316776681 FQGRCZAUDPXACP-ZETCQYMHSA-N 487.531 6.571 50 10 JKGE CCN(CC)Cc1ccc(C=NNC(=O)c2ccc(-c3ccc(Cl)c(Cl)c3)nc2C)cc1 2321250714 AVZNVJRHOPVOIA-UHFFFAOYSA-N 469.416 5.970 50 10 JKGE CCOc1cc(C=C(C#N)c2ccc(C(=O)OC(C)C)o2)ccc1OCc1ccc(Cl)cc1 2331049751 PCELWXALPMRGEN-UHFFFAOYSA-N 465.933 6.540 50 10 JKGE COc1ccc(-c2csc(C(C#N)=C(O)[C@H]3CC(=O)N([C@H](C)c4ccccc4)C3)n2)cc1OC 2331242534 LXLJEKFQLIYHCQ-APWZRJJASA-N 475.570 5.230 50 10 JKGE N#CC(=C(O)c1cccc(Br)c1)c1nc(-c2ccc(Br)cc2)cs1 2331259786 ZZWHPKKJSPJCFE-UHFFFAOYSA-N 462.166 6.285 50 10 JKGE COC(=O)c1ccc(C=CC(O)=C(C#N)c2nc(-c3ccc(Br)cc3)cs2)cc1 2331260258 RXCOLBDTUNCFPY-UHFFFAOYSA-N 467.344 5.865 50 10 JKGE CCOc1cc(C(O)=C(C#N)c2nc(-c3ccc(OC)cc3)cs2)cc(OCC)c1OCC 2331273833 VOEOWMKGYLJCBZ-UHFFFAOYSA-N 466.559 5.965 50 10 JKGE COc1ccc(OC)c(-c2csc(C(C#N)=C(O)c3ccc4c(c3)C(=O)N(CC(C)C)C4=O)n2)c1 2331325106 KGOPITQAHXJUBU-UHFFFAOYSA-N 489.553 5.029 50 10 JKGE N#CC(=C(O)Cc1ccccc1[N+](=O)[O-])c1nc(-c2ccc(Oc3ccccc3)cc2)cs1 2331358614 UZNGLOVORIMRJO-UHFFFAOYSA-N 455.495 6.546 50 10 JKGE COc1c(C)cc(Cl)cc1-c1csc(C(C#N)=C(O)CCN2C(=O)c3ccccc3C2=O)n1 2331391835 LIUCQORNSLVJIT-UHFFFAOYSA-N 479.945 5.260 50 10 JKGE N#CC(=Cc1ccc(OC(=O)c2ccccc2)cc1)c1nc(-c2ccc3c(c2)CCCC3)cs1 2331416295 ATMXDSGGFWROIT-UHFFFAOYSA-N 462.574 6.972 50 10 JKGE CCOc1c(C=C(C#N)c2nc(-c3ccc(OC)c(OC)c3OC)cs2)cccc1OC 2331491466 JAEGBALEQDGIME-UHFFFAOYSA-N 452.532 5.307 50 10 JKGE Fc1c(Br)cc(Cl)c([C@@H](Br)[C@@H]2CCCOCC2)c1Br 2337103385 JFYPCAYTNSPZEF-HQJQHLMTSA-N 479.409 6.257 50 10 JKGE Clc1ccc(CN(CCBr)C2CCCCC2)cc1I 2337220903 IKRPJOZSQQCXIC-UHFFFAOYSA-N 456.593 5.474 50 10 JKGE Clc1cc(I)c([C@@H](Br)c2ccc3c(c2)CCCC3)s1 2338777130 ZJOLZDNFUVJJDC-AWEZNQCLSA-N 467.597 6.369 50 10 JKGE Cc1cc(C(F)(F)F)sc1C(=O)N[C@H](CCBr)COCc1ccccc1 2343418534 PDLLHYHNDDUAFE-CQSZACIVSA-N 450.320 5.176 50 10 JKGE CC[C@H]1CN(C(=O)OCc2ccccc2)[C@H](CC)CN1CC1(CBr)CC(C)(C)C1 2345004156 GWLNGCNYWKAXCA-LEWJYISDSA-N 465.476 5.699 50 10 JKGE CCO[C@@H]1CC[C@H]([C@H](Br)c2c(C)cc(Br)c(F)c2Br)C1 2365191099 LESVBOLQCKRNLK-CWSCBRNRSA-N 473.018 6.300 50 10 JKGE COc1c(Br)cc(C)c([C@H](Br)C[C@@H]2C[C@H]3C[C@H]3C2)c1Br 2365191809 RJUUAHAJXXRBFV-WRWGMCAJSA-N 467.039 6.401 50 10 JKGE Cc1cc(Br)c(F)c(Br)c1[C@H](Br)c1cccc(F)c1C 2365217701 GXYBZDDOIWYXLY-CYBMUJFWSA-N 468.961 6.591 50 10 JKGE Cc1cc(Br)c(F)c(Br)c1[C@H](Br)[C@@H]1C[C@H]2C[C@H]1[C@H]1C[C@@H]12 2365224286 WQJRKTSJJOZDFW-XAJHBRABSA-N 467.014 6.387 50 10 JKGE CC1(C)CCC[C@@]1(CBr)NC(=O)c1ccc(Cl)cc1I 2365598188 OOJJMCNEGBMLSS-HNNXBMFYSA-N 470.576 5.018 50 10 JKGE CC(C)[C@H](Cl)C(C)(C)CNC(=O)c1cc(Br)ccc1I 2365857603 QMFAWMZOKDNNRU-ZDUSSCGKSA-N 472.592 5.073 50 10 JKGE CCSc1ccsc1[C@@H]1C(C#N)=C(N)N(c2ccc(Cl)cc2)C2=C1C(=O)CC(C)(C)C2 9981305 RBOWPGHRONHGMM-HXUWFJFHSA-N 470.063 6.454 50 10 JKGE CCOc1ccc(/C=C(\C#N)C(=O)Nc2sc(C)c(-c3ccccc3)c2C(=O)OC)cc1OC 33347171 WCMSTSQQTQIEED-CPNJWEJPSA-N 476.554 5.463 50 10 JKGE CC(C)(C)c1ccc([C@H]2C[C@@H]2C(=O)N/N=C/c2ccc(OC(=O)c3ccc4c(c3)OCO4)cc2)cc1 34388603 JJDFFVSWPGTKHO-WJXADJKVSA-N 484.552 5.186 50 10 JKGE COc1cc(/C=C(/C#N)c2nc(-c3cccc4ccccc34)cs2)cc(OC)c1OC(C)=O 35126668 FMYNTSUNURULDQ-ODLFYWEKSA-N 456.523 5.970 50 10 JKGE CC1(C)[C@]2(C)CC[C@@]1(C(=O)Nc1cc(Cl)ccc1Oc1ccccc1)[C@H](Br)C2=O 35548651 FRKVKLARQCEUPQ-YSZBQJHXSA-N 476.798 6.230 50 10 JKGE CCc1ccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4ccc(Br)cc4)ccc32)cc1 38676853 LVSGCTRSXYOCBP-HSZRJFAPSA-N 475.342 5.449 50 10 JKGE CCCCOc1ccccc1C(=O)Oc1ccc2c(c1)OC(N)=C(C#N)[C@H]2c1c(F)cccc1Cl 38680695 SPTVSEMFBGTSFW-DEOSSOPVSA-N 492.934 6.095 50 10 JKGE COc1ccc(C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@H]3c2cccc(Cl)c2)cc1Cl 38687736 QOCRENBMQXQBMF-QFIPXVFZSA-N 467.308 5.439 50 10 JKGE Cc1c(C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@H]3c2cccc(F)c2)oc2ccc(F)cc12 38700501 XOODYZKRBXCBAJ-QHCPKHFHSA-N 458.420 5.457 50 10 JKGE Cc1c(C(=O)N2c3ccc(F)cc3CC[C@@H]2C)oc2c1/C(=N/NC(=O)c1cccc(Cl)c1)CCC2 40813290 KCMVJIFNSMBVBT-ZEGMAUPVSA-N 493.966 5.832 50 10 JKGE N#C/C(=C\c1ccc(OC(=O)COc2ccc(-c3ccccc3)cc2)cc1)C(=O)NCc1ccco1 40934378 VRULWYHIESBCIT-JJIBRWJFSA-N 478.504 5.154 50 10 JKGE CCOc1ccc(NC(=O)/C(C#N)=C/c2ccc(-c3ccc(Br)cc3C)o2)cc1 58832811 VBDPKUUATCFZCX-DTQAZKPQSA-N 451.320 5.962 50 10 JKGE CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(Cl)c(Cl)c2)cc(Br)c1O 59117436 MBWIXCDFOLETQD-VZUCSPMQSA-N 456.123 5.406 50 10 JKGE Cc1cc([C@@H](Br)c2ccc(Br)cc2Cl)c(C)cc1Br 70472199 NAVMNMQDMCXGSZ-HNNXBMFYSA-N 467.426 6.966 50 10 JKGE CCOc1ccc([C@@H](Br)c2ccc(Br)c(F)c2)c(Br)c1 123757532 FMXVFJKRRQTXOH-HNNXBMFYSA-N 466.970 6.234 50 10 JKGE Cc1cc([C@@H](Br)c2csc3c(Br)cccc23)ccc1Br 137917628 YCMCRANUEPHSAF-OAHLLOKOSA-N 475.043 7.219 50 10 JKGE Fc1cc([C@@H](Br)c2cccc(F)c2Br)c(F)cc1Br 156120053 QDNYFZOYGPHIPQ-LBPRGKRZSA-N 458.897 6.113 50 10 JKGE CCOc1ccc([C@H](Cl)c2cc(Br)ccc2Br)cc1Br 161123892 QPXVZWQVMZDEKR-HNNXBMFYSA-N 483.425 6.701 50 10 JKGE N#CC(C#N)=C(Nc1ccccc1)S[C@@H]1CC(=O)N(c2ccc(/C=C\c3ccccc3)cc2)C1=O 210098592 XIMUUFFTNKIFJJ-OKFWSBNLSA-N 476.561 5.593 50 10 JKGE O=C(Nc1cccc(CBr)c1)c1ccc(I)c(Cl)c1 232348891 WZPDVTJQPJRUDE-UHFFFAOYSA-N 450.501 5.092 50 10 JKGE C/C(C=NNC(=O)CSc1nnc(-c2ccc(C)cc2)n1C1CCCCC1)=C/c1ccccc1 254700847 FOOCKZIBONLFSV-DFTSQNTASA-N 473.646 6.056 50 10 JKGE CCN(C[C@](C)(CI)O[C@H]1C[C@@H](C)CC(C)(C)C1)C(=O)OC(C)(C)C 305729297 HFHKRGXWIQRMCZ-GUXCAODWSA-N 467.432 5.669 50 10 JKGE C[C@@H](Br)C[C@H]1CCCN1C(=O)c1cc(Br)c(Br)s1 310658879 CSRFABIWWMTVAK-HTQZYQBOSA-N 460.029 5.051 50 10 JKGE C[C@]1(Cn2c(CCl)nc3cc(Br)c(F)cc32)CCN(Cc2ccccc2)C1 312334775 AFYFAHHYLLRKNO-NRFANRHFSA-N 450.783 5.589 50 10 JKGE BrCc1cc(Br)c(OCCOCc2ccccc2)c(Br)c1 380919602 WKEHKSMIYVOKDT-UHFFFAOYSA-N 479.006 5.702 50 10 JKGE CN(Cc1ccccc1)C1(Cn2c(CCCl)nc3cc(I)ccc32)CCC1 386901888 OUZFAQDFFDZGIO-UHFFFAOYSA-N 493.820 5.477 50 10 JKGE C[C@@H](COCc1ccccc1)n1c([C@@H](C)Cl)nc2cc(I)ccc21 390667124 UOHVVYVDDNKNRV-UONOGXRCSA-N 454.739 5.719 50 10 JKGE Fc1ccc(Br)c([C@H](Br)c2cc(Cl)c(Cl)c(Cl)c2Cl)c1 404646774 HEUUJRFRGLELHR-JTQLQIEISA-N 481.801 7.686 50 10 JKGE CN(C(=O)OC(C)(C)C)c1ccc([C@@H]2CCCCCN2CCO[Si](C)(C)C(C)(C)C)cc1 616626342 FTAMLQUJYIATFW-QHCPKHFHSA-N 462.751 6.997 50 10 JKGE CC(C)(C)OC(=O)NCCN1CCCC[C@@H](c2cccc(CCO[Si](C)(C)C(C)(C)C)c2)C1 616630860 VOVZFAVLQVIMHV-XMMPIXPASA-N 476.778 6.345 50 10 JKGE CCOC(=O)[C@]12CC[C@@H](C)[C@H](C)[C@H]1C1=CC[C@@H]3[C@@]4(C)C(C=O)=C[C@@](C)(CO)[C@@H]4CC[C@@]3(C)[C@]1(C)CC2 685945480 VCUKNNCHZOQUTG-SSWBUFBLSA-N 496.732 6.525 50 10 JKGE Brc1ccccc1[C@H](Br)c1cc(Br)c2c(c1)CCCO2 689539508 FMWOUMUGVGVGKV-OAHLLOKOSA-N 460.991 6.021 50 10 JKGE Cc1ccc(Br)cc1CC(CBr)(CBr)C1CCOCC1 696814012 UQVSEAXQBPAEMI-UHFFFAOYSA-N 469.055 5.503 50 10 JKGE CN(Cc1cscc1Br)c1ccc(Br)cc1CBr 709996287 LEGPJMPWWWBYMH-UHFFFAOYSA-N 454.025 5.804 50 10 JKGE COc1ccccc1C[C@H](Br)c1ccc(I)c(Br)c1 721571756 JIILGMPDMBMTBY-LBPRGKRZSA-N 495.980 5.741 50 10 JKGE Cc1ccc([C@@H](Br)c2ccc(I)c(Br)c2)cc1C 721592162 FNRNBLHSHZVPIF-OAHLLOKOSA-N 479.981 6.155 50 10 JKGE Cc1cc(Br)cc(CBr)c1OCc1ccc(Br)c(F)c1 722003316 GOCQKQZRTVFEIU-UHFFFAOYSA-N 466.970 6.133 50 10 JKGE Cc1ccc(S(=O)(=O)NN=C(c2ccccc2)c2ccc(O[Si](C)(C)C(C)(C)C)cc2)cc1 888085292 HDUGQFFYOJGPGR-UHFFFAOYSA-N 480.706 6.110 50 10 JKGE CCCCC(=NNC(=O)c1ccc(NC(=O)c2ccc(C(C)(C)C)cc2)cc1)c1ccccc1 1083906985 UOKNDXCKIRJMJY-UHFFFAOYSA-N 455.602 6.561 50 10 JKGE COc1cc(Cl)c(C=NNC(=O)c2ccc(NC(=O)c3ccc(C(C)(C)C)cc3)cc2)cc1OC 1083958962 PGXPSWZKHCGYJK-UHFFFAOYSA-N 493.991 5.671 50 10 JKGE Cc1ccc(C(C)C)c(OCC(=O)NN=Cc2ccc(Oc3ccc([N+](=O)[O-])cc3[N+](=O)[O-])cc2)c1 1084369385 RJSQFMDZRIRLQB-UHFFFAOYSA-N 492.488 5.256 50 10 JKGE COc1cc2ccccc2cc1C(=O)NN=C1C(=O)N(C/C=C/c2ccccc2)c2ccccc21 1084641306 PACHIEQGTRLROX-BYMBXVFSSA-N 461.521 5.043 50 10 JKGE Cc1c(C(=O)Nc2ccccc2Cl)oc2c1C(=NNC(=O)c1cccc3ccccc13)CCC2 1772746914 BJUBHWWHQUFVGH-UHFFFAOYSA-N 471.944 6.117 50 10 JKGE Cc1occc1C(=O)NN=C1CCCc2oc(C(=O)N(Cc3ccccc3)Cc3ccccc3)c(C)c21 1772748887 HEQQHRAVAKBACS-UHFFFAOYSA-N 495.579 5.802 50 10 JKGE COc1cc(C=NNC(=O)COc2ccccc2C(C)(C)C)ccc1OCc1ccc(C)cc1 1772754099 BUWGJNHICKGXKL-UHFFFAOYSA-N 460.574 5.409 50 10 JKGE C[C@H](Oc1cccnc1NC(=O)Oc1ccc([N+](=O)[O-])cc1)C(=O)Nc1ccccc1C(F)(F)F 1858686895 FXLOBSCQORELHW-ZDUSSCGKSA-N 490.394 5.026 50 10 JKGE COc1ccc([C@@H]2C(C#N)=C(N)Oc3c2c(-c2ccccc2)nn3Cc2cc(C)ccc2C)cc1O 1865681926 ASUYYHXJXMUWRZ-RUZDIDTESA-N 478.552 5.148 50 10 JKGE CCCc1nn(Cc2c(F)cccc2Cl)c2c1[C@@H](c1c(F)cccc1Cl)C(C#N)=C(N)O2 1865682453 OPJMMWNMQAXYLY-LJQANCHMSA-N 475.326 5.687 50 10 JKGE CCOc1ccc([C@H]2C(C#N)=C(N)Oc3c2c(C(F)(F)F)nn3-c2ccc(Cl)c(Cl)c2)cc1 1865693864 MGIFAPBMZRDTPE-KRWDZBQOSA-N 495.288 5.815 50 10 JKGE COc1ccc(-c2nn(-c3ccc(C)cc3)c3c2[C@@H](c2cccc(OC)c2OC)C(C#N)=C(N)O3)cc1 1865701444 VVKVVAHKMWOPSP-DEOSSOPVSA-N 494.551 5.092 50 10 JKGE N#CC1=C(N)Oc2c(c(-c3ccccc3)nn2-c2cccc(Cl)c2)[C@H]1c1ccc(C(F)(F)F)cc1 1865710550 BLOGESYXRMSJBR-NRFANRHFSA-N 492.888 6.430 50 10 JKGE CCc1nn(Cc2ccc(Cl)cc2)c2c1[C@@H](c1ccc(C(F)(F)F)cc1)C(C#N)=C(N)O2 1865711486 ZQKCGUIJFIECJK-IBGZPJMESA-N 458.871 5.384 50 10 JKGE CCCC[C@H](NC(=O)[C@@H](c1ccc(C(C)C)cc1)C(C)C)C(=O)Nc1ccc(SC#N)cc1 1866964239 SSEXPVIBXVMQKB-LOSJGSFVSA-N 465.663 6.436 50 10 JKGE COCCc1nc(Nc2ccc(SC#N)cc2)cc(N2CCC(Oc3cccc(Cl)c3)CC2)n1 1868253237 DBSBTQOBBDBTBT-UHFFFAOYSA-N 496.036 5.683 50 10 JKGE CCCc1nc(Nc2ccc(SC#N)cc2)cc(N2C[C@H](c3ccccc3)Cc3ccccc32)n1 1868388244 GQDSZKVHOXLAET-HSZRJFAPSA-N 477.637 7.224 50 10 JKGE CCc1ccc(-c2csc(/C(C#N)=C(\O)CN3C(=O)COc4ccc(Cl)cc43)n2)cc1 1872744007 DCWOONPSYPQSJE-JZJYNLBNSA-N 451.935 5.244 50 10 JKGE COc1ccc(OCCC/C(O)=C(\C#N)c2nc(-c3cc(C(C)C)c(OC)cc3C)cs2)cc1 1872753686 IXLMESASUCIXNZ-BZZOAKBMSA-N 478.614 6.911 50 10 JKGE COc1c(Cl)cc(-c2csc(/C(C#N)=C(\O)[C@H](C)Oc3ccccc3C(C)C)n2)cc1Cl 1872756249 VQOJWXGTJPSOSA-AEWZPABSSA-N 489.424 7.509 50 10 JKGE COc1cc(/C=C(\C#N)c2nc(-c3cccc(Cl)c3)cs2)ccc1OCc1ccccc1 1872790251 UZSPDYWRYUBVDE-CIAFOILYSA-N 458.970 7.115 50 10 JKGE CCCCCOc1ccc(/C=C(\C#N)c2nc(-c3cccc4ccccc34)cs2)cc1OC 1872792432 YULHONZTZCNIIG-CJLVFECKSA-N 454.595 7.605 50 10 JKGE CCCCOc1ccc(/C=C(\C#N)c2nc(-c3cc(C(C)C)c(OC)cc3C)cs2)cc1OCC 1872793350 VUSPLBMUDXYCLB-HYARGMPZSA-N 490.669 7.892 50 10 JKGE COc1cc(C)c(-c2csc(/C(C#N)=C/c3ccc(OCc4ccc(C)cc4)cc3)n2)cc1C 1872794774 WESBYWLPCBGSTJ-BUVRLJJBSA-N 466.606 7.387 50 10 JKGE CC1(C)CC([C@@H](Br)c2cc(Br)c(Br)s2)CC(C)(C)C1 1878994349 QQPPIDBVZDEJQA-GFCCVEGCSA-N 473.112 7.562 50 10 JKGE Brc1cc(Br)cc(CO[C@@H]2CCC[C@H]2I)c1 1900372138 IDAUVPORXFIGQZ-VXGBXAGGSA-N 459.947 5.084 50 10 JKGE CC(C)[C@H](CBr)N(Cc1ccccc1)S(=O)(=O)c1cccc(Br)c1 1915291694 QZSKZOZTTAMXJN-SFHVURJKSA-N 475.246 5.060 50 10 JKGE C[C@H]1CN(Cc2ccccc2)C[C@@H](C)N(c2ccc(CBr)cc2Br)C1 1921466049 QJBADLWTDZIFNS-DLBZAZTESA-N 466.261 5.691 50 10 JKGE Cc1c(Br)sc([C@@H](Br)c2cc(Cl)n(C)n2)c1Br 1922935814 SJWUVDUQXRASHC-QMMMGPOBSA-N 463.420 5.453 50 10 JKGE C[C@H](c1ccncc1Br)[C@@H](Br)c1cccc(I)c1 1924031401 LTBIAXLBCRWHPG-YMTOWFKASA-N 480.969 5.688 50 10 JKGE C[C@@H](c1ccncc1Br)[C@H](Br)c1ccc(I)cc1 1924033721 VWHHELHHSGNVMS-XPTSAGLGSA-N 480.969 5.688 50 10 JKGE C[C@H](c1ccncc1Br)[C@@H](Br)c1ccc(Br)c(Cl)c1 1924041972 YDWXKMKKZFLJMN-XLKFXECMSA-N 468.414 6.500 50 10 JKGE Clc1ccc([C@@H](Br)Cc2ccncc2Br)cc1Br 1924051898 KDUZSSJTZCJIND-JTQLQIEISA-N 454.387 5.939 50 10 JKGE CCOC1CC(C[C@@H](Cl)c2c(Br)sc(Br)c2Br)C1 1924591415 RAPZFCGFVSJWEO-KAVNDROISA-N 481.475 6.521 50 10 JKGE C[C@H](C1CCC1)[C@H](Cl)c1c(Br)sc(Br)c1Br 1924609542 ZKHPGCVDBOJHAM-ANLVUFKYSA-N 451.449 6.752 50 10 JKGE CN(Cc1cc(Br)ccc1Cl)C[C@H](Br)COCc1ccccc1 1979519101 BVMXZHDLYOSWLV-KRWDZBQOSA-N 461.625 5.515 50 10 JKGE Cl[C@H](c1c(Br)sc(Br)c1Br)[C@@H]1[C@@H]2CCO[C@H]21 1983250375 UNBMDMZYVWZPNX-GXZSMAFLSA-N 451.405 5.350 50 10 JKGE FC1(F)[C@@H]2[C@@H]([C@H](Br)c3cc(Br)sc3Br)CC[C@H]21 1996484978 ONAXIUOWGUDYGB-VZDOAEEUSA-N 450.968 6.000 50 10 JKGE CC(C)(CCCBr)CNC(=O)c1csc(Br)c1Br 2032953362 IDOALPBZRJACEL-UHFFFAOYSA-N 462.045 5.204 50 10 JKGE Brc1cc(Br)c([C@@H](Br)[C@@H]2CCn3nccc3C2)s1 2046632018 ZBZCIOGHZWORMW-HQJQHLMTSA-N 455.013 5.168 50 10 JKGE C=C1CC[C@H](O[Si](C)(C)C(C)(C)C)CC1=CC=C1CCC[C@@]2(C)[C@H]1CC[C@@H]2[C@H](C)CCCC(C)C 2055457851 DWIUSINKAVTSCC-BJVVUDSOSA-N 498.912 10.649 50 10 JKGE FC(F)(F)c1c(I)c(CCl)nn1Cc1ccc(OCC2CC2)cc1 2079210639 WOXDRTNBBFBNHI-UHFFFAOYSA-N 470.660 5.082 50 10 JKGE COc1cc(F)c([C@H](Br)c2csc(Br)c2)cc1Br 2082782896 WDXLLSMUUSRMOD-GFCCVEGCSA-N 458.972 5.905 50 10 JKGE COc1c(Cl)cc(Br)cc1[C@H](Br)c1coc(Br)c1 2082864930 ZYEIJTXHSPIEAF-LLVKDONJSA-N 459.359 5.951 50 10 JKGE Cc1cc(Br)c2c(c1Br)[C@@H](Br)C[C@@H](C(F)(F)F)CC2 2090245989 ZDQAAIZYAQOWLY-XVKPBYJWSA-N 464.945 6.471 50 10 JKGE CS(=O)(=O)c1csc([C@@H](Br)c2cc(Br)ccc2Br)c1 2093074365 LAXUGOWLMSULAI-LBPRGKRZSA-N 489.048 5.161 50 10 JKGE C[C@@H](Cl)c1nc2cc(Br)c(Cl)cc2n1[C@H](C)CCOCc1ccccc1 2103815898 QZJSIWTXXRSNJZ-ZIAGYGMSSA-N 456.211 6.920 50 10 JKGE C[C@H]1C[C@H](n2c(CCl)nc3cc(Cl)c(Br)cc32)CN1Cc1ccccc1 2112690746 JCFDFEMNYJPNGZ-ZFWWWQNUSA-N 453.211 6.027 50 10 JKGE Cl[C@H](CCc1ccc(Br)cc1Br)c1cccc(Br)c1 2113442554 SHCOMZNYVJPYQE-OAHLLOKOSA-N 467.426 6.887 50 10 JKGE Cc1cc(Br)c(F)c(C[C@H](Br)c2ccccc2Br)c1 2113445085 SLOOEWWLYJZUNQ-ZDUSSCGKSA-N 450.971 6.338 50 10 JKGE CC(C)CN1C[C@H](Br)[C@H](Cc2cc(Br)ccc2Br)C1 2118532651 RJTNAZORRJHPTR-DOMZBBRYSA-N 454.044 5.105 50 10 JKGE CCN(C[C@](C)(CI)OC[C@@H]1C[C@H]1c1ccccc1)C(=O)OC(C)(C)C 2135979139 GQPMORXWWIWVJX-WFXMLNOXSA-N 473.395 5.257 50 10 JKGE Cc1cc(Br)c(C)c([C@H](Br)C2(C)CC(C)(C)C2)c1Br 2136371561 TVHILKPIBAAKRR-AWEZNQCLSA-N 453.056 7.091 50 10 JKGE Fc1cc(C[C@@H](Br)c2ccc(Br)cc2)cc(F)c1Br 2142262204 BTYCYRGQVVQBDO-LLVKDONJSA-N 454.934 6.169 50 10 JKGE FC1(F)[C@H]2C[C@@](CBr)(Cc3ccc(I)c(Cl)c3)C[C@H]21 2142939091 DMAOMEORCYTQAC-DDFAGTSDSA-N 461.515 5.544 50 10 JKGE CC[C@@H](C)c1ccc([C@@H](Br)c2c(Br)cccc2Br)cc1 2150495303 WKRPDSRIAMPGIX-PIGZYNQJSA-N 461.035 7.209 50 10 JKGE CC(C)[C@H](C)N(Cc1ccccc1)S(=O)(=O)c1c(CBr)sc2ccccc12 2179826592 UOTPZCWMRDDFSC-INIZCTEOSA-N 466.466 6.032 50 10 JKGE FC1(F)C[C@H](n2c(CCl)nc3cc(Br)cnc32)CN(Cc2ccccc2)C1 2184260873 QDCGKXHHASPQJZ-HNNXBMFYSA-N 455.734 5.015 50 10 JKGE CC(C)(C)[C@H]1[C@H](Br)CCN1C(=O)c1c(Br)cccc1Br 2185113901 MWLDPEBTCWMEAI-DGCLKSJQSA-N 468.027 5.236 50 10 JKGE Cc1cc(Br)c(C)c([C@@H](Br)C2CC3(C2)CC3(F)F)c1Br 2201068125 PDTMXFYYAHYJGA-IMXVTNBVSA-N 472.993 6.700 50 10 JKGE CCn1cc([C@@H](Br)c2cc(Br)cc(C)c2OC)nc1Br 2206572332 VIARZKZNNLYYSA-LBPRGKRZSA-N 466.999 5.229 50 10 JKGE O=C(c1cc(I)ccc1Br)N1CCCC[C@H]1CCCCl 2206697080 VCVJMBJUDJEMCO-LBPRGKRZSA-N 470.576 5.067 50 10 JKGE Cc1cc(Br)c([C@@H](Br)c2ccsc2Br)c(C)c1Cl 2217607379 CEUGARSYJXXFAZ-NSHDSACASA-N 473.455 7.028 50 10 JKGE Cc1cc(Br)c([C@H](Br)c2ccc(Br)o2)c(C)c1Cl 2217613062 LATIDBQTLXGSTD-GFCCVEGCSA-N 457.387 6.559 50 10 JKGE Cc1c(Br)sc([C@H](Br)c2ccc(Br)c(F)c2)c1C 2218789601 ISAGBMWMFXHCEG-LLVKDONJSA-N 457.000 6.513 50 10 JKGE Cc1cc(Br)ccc1[C@H](Cl)c1cc(Br)c(Br)cc1F 2225633358 IWBPTXGSDFCVCT-AWEZNQCLSA-N 471.389 6.750 50 10 JKGE Cc1cc(Br)c([C@H](Br)c2cc(Br)c(C)s2)c(C)c1Cl 2226089846 SVUXROOVKNOOIZ-CYBMUJFWSA-N 487.482 7.336 50 10 JKGE CCCC[C@H](CC)[C@H](Br)c1c(Br)cc(C)c(Br)c1C 2227348372 NGBMSPPEWYMMRN-LRDDRELGSA-N 455.072 7.481 50 10 JKGE Cc1cc(Br)c([C@H](Br)C[C@@]23CCC[C@H]2C3)c(C)c1Br 2227357006 UEESBVYZCKQLRJ-GHJWDPDVSA-N 451.040 6.845 50 10 JKGE Clc1cc(Br)c([C@H](Br)[C@@H]2CO[C@H]3COC[C@@H]23)c(Cl)c1Cl 2232515184 XRRJJLYUDWWCTF-LFLRCTCGSA-N 465.396 5.507 50 10 JKGE C[C@H]1CN(Cc2ccccc2)C[C@@H]1n1c(CCCl)nc2c(F)cc(Br)cc21 2232920558 QCUHBBOBLUOCML-LIRRHRJNSA-N 450.783 5.412 50 10 JKGE CCOCc1cc(Br)c([C@H](Cl)c2ccc(Cl)cc2Br)s1 2233008428 HSUNQCGXUICQHS-CYBMUJFWSA-N 459.030 6.791 50 10 JKGE Brc1cccc(CN2CC[C@@H]3[C@@H](Br)CCC[C@H]3C2)c1Br 2233851903 CVFVAEXOIWHSIB-UBHSHLNASA-N 466.055 5.597 50 10 JKGE CC[C@@]12CC[C@@]([C@@H](Br)c3cc(Br)c(Br)cc3F)(CO1)C2 2233976334 OPNHNTPHOQXSDE-KKUMJFAQSA-N 471.002 6.136 50 10 JKGE Cc1cc(Br)c([C@@H](Br)C[C@@H]2CCCOCC2)c(C)c1Br 2235613757 ARERTOKICLJQED-OCCSQVGLSA-N 469.055 6.471 50 10 JKGE COc1cc(Br)c([C@@H](Cl)c2cc(C)ccc2I)cc1C 2241002473 VPWHNBDRAAFWGX-MRXNPFEDSA-N 465.556 6.007 50 10 JKGE O=C(Nc1ccc(OC[C@@H]2C[C@@H]2Cl)cc1C(=O)O)OCC1c2ccccc2-c2ccccc21 2243589986 XOXGYOKBLWENBI-WNSKOXEYSA-N 463.917 5.752 50 10 JKGE Clc1cccc([C@@H](Br)c2c(Cl)sc(Cl)c2Cl)c1Br 2256135654 GFWZPWFBUGNDQW-MRVPVSSYSA-N 469.840 7.609 50 10 JKGE CC(C)CCC[C@@H](C)CCO[C@]1(CI)CCCN(C(=O)OC(C)(C)C)C1 2269404580 DYYPNJYIHVILJT-NQIIRXRSSA-N 481.459 6.060 50 10 JKGE COc1ccc([C@H](Br)Cc2ccccc2Cl)cc1I 2269545393 QSXFGRKXVSHFJG-GFCCVEGCSA-N 451.529 5.632 50 10 JKGE COC[C@]1(C)C[C@H]1[C@H](Br)c1c(F)cc(Br)c(F)c1Br 2272844595 PQVUYODFIPYFIN-XQBZDOOFSA-N 462.954 5.598 50 10 JKGE Cc1cc(Br)c(CCl)c(N(C)Cc2cccc(I)c2)c1 2280264713 UQACWALRELUVCP-UHFFFAOYSA-N 464.572 5.737 50 10 JKGE COc1ccc([C@@H](Br)c2ccc(C)c(Br)c2)c(Br)c1Cl 2283559510 AGYPQGXHMULZNJ-ZDUSSCGKSA-N 483.425 6.666 50 10 JKGE CCCCCCOc1ccc(C=C(C#N)C(=O)Nc2ncc(Cc3ccc(F)cc3)s2)cc1OC 2293038430 BORDKPOLLQNBFB-UHFFFAOYSA-N 493.604 6.386 50 10 JKGE COc1cc(C=C(C#N)c2cccc(Cl)c2)c(Br)cc1OCc1ccccc1 2293606196 GXAXNWAHEZDCKX-UHFFFAOYSA-N 454.751 6.754 50 10 JKGE Cc1cc(F)c([C@@H](Br)Cc2cc(Br)cc(Br)c2)cc1C 2295274836 OOYCADTWVCXWNI-HNNXBMFYSA-N 464.998 6.646 50 10 JKGE CC(C)(C)c1ccc(CSC(Nc2ccccc2F)=C(C#N)S(=O)(=O)c2ccccc2)cc1 2297350136 YNXXJLHXCTXRDH-UHFFFAOYSA-N 480.630 6.635 50 10 JKGE C[C@@H]1O[C@H](C)C[C@@H]1[C@H](Br)c1cc(Br)ccc1OCc1ccccc1 2299500610 HHDXLPMCPPUNEP-BAGFXWCHSA-N 454.202 6.278 50 10 JKGE CC[C@@]1([C@H](Br)c2cc(Br)ccc2OCc2ccccc2)CC1(F)F 2299502731 ZCBADOIZEHCXGQ-MSOLQXFVSA-N 460.156 6.900 50 10 JKGE Cc1sc(Br)cc1[C@@H](Cl)c1cc(Br)ccc1OCc1ccccc1 2299505394 WOFQTSODEGKMBP-LJQANCHMSA-N 486.656 7.489 50 10 JKGE C[C@@H]1CC[C@@H](Br)[C@@H](Cc2ccc(I)c(Br)c2)C1 2306199618 OGWKQZYGYZGPNU-YUSALJHKSA-N 472.002 5.796 50 10 JKGE CC(C)(C)OC(=O)N1CCC[C@@](CI)(OC[C@@H]2C[C@H]2C2CCCC2)C1 2311633514 KPLRGFSARBWNBF-ZWOKBUDYSA-N 463.400 5.034 50 10 JKGE Cc1ccc(NC(=O)C(C#N)=Cc2cc(Br)c(O)c(Br)c2)cc1C 2313510991 HYCMQCRHSWCDOP-UHFFFAOYSA-N 450.130 5.080 50 10 JKGE COc1cc(C=C(C#N)C(=O)N(C)C)c(Br)cc1OCc1ccc2ccccc2c1 2313568965 ZSOZTDBAPFDASL-UHFFFAOYSA-N 465.347 5.185 50 10 JKGE N#CC(=Cc1cc(Cl)c(OCc2ccccc2)c(Cl)c1)C(=O)Nc1cccc(Cl)c1Cl 2313571144 OIVHPZKSRXJDIG-UHFFFAOYSA-N 492.189 7.425 50 10 JKGE N#CC(=Cc1cc(Br)ccc1OCc1ccccc1F)C(=O)Nc1ccccc1F 2313631156 LKFUAWUVHFUFBN-UHFFFAOYSA-N 469.285 5.852 50 10 JKGE Cc1c(Cl)cccc1NC(=O)C(C#N)=Cc1cc(Br)ccc1OCc1ccccc1F 2313670527 COYFMQXNVDYBIP-UHFFFAOYSA-N 499.767 6.675 50 10 JKGE Fc1cc(Br)c(Br)cc1[C@H](Br)C[C@@H]1CCC1(F)F 2313815942 IOAYBHFCZQOSKP-POYBYMJQSA-N 450.918 6.222 50 10 JKGE Brc1cc(OCc2ccccc2)ccc1[C@H](Br)[C@@H]1C[C@H]1C1CCCC1 2314443418 GOJAGXQFQRJNHR-VWPQPMDRSA-N 464.241 7.290 50 10 JKGE C[C@]1([C@@H](Br)c2ccc(OCc3ccccc3)cc2Br)C[C@H]1C(F)(F)F 2314461334 QFUYOYLVEWJHAJ-SQNIBIBYSA-N 478.146 7.053 50 10 JKGE N#CC(=Cc1ccc(-c2cc(Cl)cc(Cl)c2)o1)C(=O)Nc1cccc(Cl)c1Cl 2314571709 KPOHQWFNMUGVAZ-UHFFFAOYSA-N 452.124 7.106 50 10 JKGE CCc1ccc(N2C(=O)[C@H](Cc3ccc(C)cc3)SC2=C(C#N)C(=O)Nc2ccc(C)cc2)cc1 2314592469 UPIHKHMETNXNLT-SANMLTNESA-N 481.621 5.931 50 10 JKGE COc1ccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)C=Cc4ccc(Cl)cc4)ccc32)cc1OC 2314634621 PNGGCHIRAOXDRY-AREMUKBSSA-N 488.927 5.194 50 10 JKGE C[C@]12C[C@H](C1)[C@H]([C@@H](Br)c1ccc(OCc3ccccc3)cc1Br)CO2 2315933968 SJMDQUXIWXKVHJ-NXXWWENFSA-N 466.213 6.279 50 10 JKGE Clc1ccc([C@H](Cl)c2c(Cl)sc(Cl)c2Cl)c(I)c1 2317774129 OMQVZCFDTSTPIY-QMMMGPOBSA-N 472.389 7.295 50 10 JKGE C[C@@H]1CC2CC([C@@H](Cl)c3c(Br)sc(Br)c3Br)(C2)O1 2319569838 NSCKYNPKKUYSGI-LTSRSOQQSA-N 479.459 6.273 50 10 JKGE COc1ccc(C(C#N)=Cc2ccc(OC(=O)COc3ccc(C)cc3)c(OC)c2)cc1OC 2320506244 FPMKDBHGHWPVAM-UHFFFAOYSA-N 459.498 5.069 50 10 JKGE COc1cc(C=C(C#N)c2ccccc2OC)ccc1OC(=O)c1cccc(Br)c1 2320506262 FZAMFWXOUWKHAJ-UHFFFAOYSA-N 464.315 5.750 50 10 JKGE Clc1cc(Br)c(COc2cc(Br)ccc2CBr)s1 2322455123 WZGDCUMHCTZYMT-UHFFFAOYSA-N 475.427 6.400 50 10 JKGE CCCCOC(=O)c1ccccc1NC(=O)C(C#N)=CNc1ccc(Cl)c(C(F)(F)F)c1 2325307078 PYRDCFILLFGDRM-UHFFFAOYSA-N 465.859 5.774 50 10 JKGE Brc1ccc(CN2CC[C@H]3CC[C@H](Br)[C@@H]2C3)c(Br)c1 2330962750 IFLNVLHZFHRWRD-DGFSRKRXSA-N 452.028 5.350 50 10 JKGE CC[C@@H](C)N1C(=O)c2ccc(C(O)=C(C#N)c3nc(-c4ccc(OC)cc4)cs3)cc2C1=O 2331273359 CEMITZWWWINCIO-CQSZACIVSA-N 459.527 5.163 50 10 JKGE COc1ccc(Cl)cc1C(O)=C(C#N)c1nc(-c2cc(C(C)(C)C)ccc2OC)cs1 2331350609 GIDURRJFRXZFKO-UHFFFAOYSA-N 454.979 6.728 50 10 JKGE N#CC(=C(O)c1cc(C(F)(F)F)cc(C(F)(F)F)c1)c1nc(-c2ccc(Cl)s2)cs1 2331402205 ZHRSADHEXYWZNG-UHFFFAOYSA-N 480.842 7.512 50 10 JKGE FC(F)(F)c1sccc1[C@H](Cl)c1cc(Br)ccc1OCc1ccccc1 2336074482 GRYHERMOCNGRPA-KRWDZBQOSA-N 461.730 7.437 50 10 JKGE Fc1c(Br)cc(Cl)c([C@H](Br)[C@@H]2C[C@@H]2C2CCC2)c1Br 2337085782 DCCSGCOZNIPWKC-DNSOKLHBSA-N 475.421 6.876 50 10 JKGE Clc1ccc(CN2C[C@@H](Br)CC3(CCC3)C2)cc1I 2337224738 CSIIVPRURSLMIW-LBPRGKRZSA-N 454.577 5.084 50 10 JKGE Cc1cc(Br)c(F)c(Br)c1[C@H](Br)[C@@H]1COC(C)(C)C1 2339654084 PHEQTLMWHWMTAH-GZMMTYOYSA-N 458.991 5.910 50 10 JKGE Fc1cc(CBr)cc(OCc2cc(I)ccc2Cl)c1 2352350732 OFWAFHVQDOJDRQ-UHFFFAOYSA-N 455.492 5.558 50 10 JKGE Clc1c(Br)sc(Br)c1[C@H](Cl)[C@H]1C[C@@H]2CCCCCC[C@@H]21 2354882038 FHXFKUIACALXPK-QFOLPQNPSA-N 461.090 7.813 50 10 JKGE Cc1cccc(Br)c1[C@H](Cl)c1c(F)cc(Cl)c(Br)c1Cl 2360429148 MEYRWSJVFBETAF-ZDUSSCGKSA-N 461.383 7.294 50 10 JKGE Brc1cc(OCc2ccccc2)ccc1[C@@H](Br)c1cccc2c1CCCC2 2361210046 VHSJQBDMRJGWCU-DEOSSOPVSA-N 486.247 7.391 50 10 JKGE C[C@H]1C[C@H]([C@H](Br)c2c(Cl)cc(Br)c(F)c2Br)C[C@@H](C)O1 2362227066 ZORLFAUTPAAKQV-MEUQOTJWSA-N 493.436 6.644 50 10 JKGE FC(F)(F)C12CC([C@H](Br)c3c(Cl)sc(Br)c3Cl)(CO1)C2 2363909852 DRELRUIXEKIJPA-STOUBEHRSA-N 474.951 6.365 50 10 JKGE COc1c(Br)cc(C)c([C@H](Br)[C@H]2CCC[C@@H](C)O2)c1Br 2365196537 NFMOKQKZHRNSEW-IRUJWGPZSA-N 471.027 5.922 50 10 JKGE FC(F)(F)[C@H]1C[C@H](Br)CCN1Cc1ccc(Cl)cc1I 2366713723 BKXZQXDPGDJYQY-BXKDBHETSA-N 482.509 5.235 50 10 JKGE C=CC[C@]1(CBr)CCCCN1Cc1ccc(Cl)cc1I 2366722551 CTRGLYRYWUOKHC-MRXNPFEDSA-N 468.604 5.640 50 10 JKGE FC1(F)[C@H]2C[C@@H](CO[C@H](CI)c3ccccc3Br)C[C@H]21 2369983183 UBYBOCWUUTYEKW-RFVSLCSESA-N 457.096 5.233 50 10 JKGE COc1c(F)cc([C@@H](Br)c2cc(C)ccc2I)cc1F 2370444024 CDOGWYORHQZABW-CQSZACIVSA-N 453.064 5.371 50 10 JKGE Cc1ccc(CBr)c(OCc2cccc(Cl)c2Br)c1Br 2380660661 AOFQYNNTPBNUQS-UHFFFAOYSA-N 483.425 6.647 50 10 JKGE N#C/C(C(=O)Nc1cccc2ccccc12)=C1\S[C@@H](Cc2ccc(F)cc2)C(=O)N1c1ccccc1 2244466 OHFGWLQRKQCUQV-KFRXSKPZSA-N 493.563 6.044 50 10 JKGE Cc1c(/C=C(/C#N)c2nn(-c3ccccc3)c(N)c2C#N)c2ccccc2n1Cc1ccc(F)cc1 29492455 IGTARQINNMHYDR-QNGOZBTKSA-N 472.527 5.841 50 10 JKGE COc1cccc(/C=N/NC(=O)CSc2nc3ccccc3[nH]2)c1OCc1cccc(Cl)c1 32520669 CMFMXTNVPWUOFL-LGJNPRDNSA-N 480.977 5.046 50 10 JKGE CC(C)c1ccc(OCC(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@@H]3c2ccc(C(C)(C)C)cc2)cc1 38649856 RWBRIQKZSDHPIY-GDLZYMKVSA-N 496.607 6.310 50 10 JKGE CCCOc1ccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)[C@H](C)Oc4ccc(CC)cc4)ccc32)cc1 38650715 LYOFSGMTCDUCGN-HMILPKGGSA-N 498.579 5.629 50 10 JKGE N#CC1=C(N)Oc2cc(OC(=O)c3ccc(Br)cc3)ccc2[C@H]1c1cccc(F)c1 38677782 FLXSFQPZYZDKFG-OAQYLSRUSA-N 465.278 5.026 50 10 JKGE Cc1cccc(C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@@H]3c2c(Cl)cccc2Cl)c1 38679462 GSKRUZLNCFTIAI-OAQYLSRUSA-N 451.309 5.739 50 10 JKGE CCOc1cccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)COc4ccc(C(C)(C)C)cc4)ccc32)c1 38684940 PBGLGALQRMWTTN-NDEPHWFRSA-N 498.579 5.585 50 10 JKGE Cc1c(C(=O)Nc2ccc(/N=N/c3ccccc3)cc2)oc2c1/C(=N/NC(=O)c1cccnc1)CCC2 40814155 YDPODWNDYPBDFC-NDUFDXOBSA-N 492.539 6.121 50 10 JKGE Cc1c(C(=O)N2c3ccccc3C[C@@H]2C)oc2c1/C(=N/NC(=O)c1ccc3ccccc3n1)CCC2 40825787 KTHNWIDWJCEXAA-ZWGGWCRMSA-N 478.552 5.198 50 10 JKGE Cc1cc(OCC(=O)N/N=C/c2c(Cl)cccc2Cl)c(Br)c(C)c1Cl 40950692 RTBPOQJJQKMWKX-QPJQQBGISA-N 464.574 5.555 50 10 JKGE CCCOc1ccc(/C=C(\C#N)C(=O)Nc2nc(-c3ccc(Br)cc3)c(C)s2)cc1 41013364 BWRNYGFUDGUEKK-QGOAFFKASA-N 482.403 6.216 50 10 JKGE N#C/C(=C\c1cc(Br)ccc1OCc1ccccc1F)c1ccc([N+](=O)[O-])cc1 59536136 LGAOYBIOUBMMNI-WOJGMQOQSA-N 453.267 6.140 50 10 JKGE CCOc1cc(/C=C(\C#N)c2ccc([N+](=O)[O-])cc2)ccc1OCc1ccc(Cl)c(Cl)c1 59536463 XEBSYDOVEYPWQX-YBFXNURJSA-N 469.324 6.943 50 10 JKGE COc1cc(/C=C(/C#N)c2nc3ccccc3[nH]2)ccc1Oc1c(F)c(F)c(F)c(F)c1F 59597065 YKDJSIXCHYRVAW-WQLSENKSSA-N 457.358 6.123 50 10 JKGE CCOc1ccc(-n2c(C)cc(/C=C(/C#N)C(=O)O[C@H](C)C(=O)N(CC)c3ccccc3)c2C)cc1 97654703 QRJLZSRFVJPGAS-GRCQKCIOSA-N 485.584 5.385 50 10 JKGE CC(C)c1ccc([C@H](Br)c2cc(Br)sc2Br)cc1 109869959 YSTROUPLQKRGJG-ZDUSSCGKSA-N 453.037 6.881 50 10 JKGE COc1ccc([C@@H](Br)c2cc(Br)ccc2Cl)c(Br)c1 109876851 BIYULHTZQYELBA-CQSZACIVSA-N 469.398 6.358 50 10 JKGE Fc1c(Cl)cccc1[C@@H](Br)c1cc(Br)sc1Br 131157146 PFNMTLVTFDLDLK-SECBINFHSA-N 463.391 6.550 50 10 JKGE COc1cc([C@@H](Br)c2ccccc2Br)c(OC)cc1Br 134296958 IDDZCUYTDYBRIR-HNNXBMFYSA-N 464.979 5.713 50 10 JKGE Clc1cnccc1C[C@H](Br)c1cc(Br)ccc1Br 161329619 YJLGUQJEJARDGS-LBPRGKRZSA-N 454.387 5.939 50 10 JKGE COc1ccc([C@H](Cl)c2cc(Br)c(Br)s2)c(OC)c1Cl 224632384 NEZXAAQVEPKSRC-JTQLQIEISA-N 461.002 6.272 50 10 JKGE Fc1ccc(C[C@@H](Cl)c2cc(I)ccc2Br)c(F)c1 236157495 ZRMKOTUAISOVOT-CYBMUJFWSA-N 457.483 5.855 50 10 JKGE O=C(NN=Cc1ccc(-c2ccc([N+](=O)[O-])cc2)o1)c1ccc(COc2ccc3c(c2)CCC3)cc1 252600543 DSHLYFBKMLWYRZ-UHFFFAOYSA-N 481.508 5.686 50 10 JKGE C(/C=C/c1ccccc1)=Nc1ccc(SSc2ccc(N=C/C=C/c3ccccc3)cc2)cc1 253641873 UTZIQCCOURHJMP-HFSCHLFKSA-N 476.670 9.317 50 10 JKGE CC(=NNC(=O)c1sc2cc(C)ccc2c1Cl)c1cccc(NC(=O)C(F)(F)F)c1 254294297 IFYHEAGXMNZEHV-UHFFFAOYSA-N 453.873 5.518 50 10 JKGE CC(CC(=O)Nc1ccc(Nc2ccccc2)cc1)=NNC(=O)COc1cccc2ccccc12 254759296 NHBNLUGQDVYAHA-UHFFFAOYSA-N 466.541 5.483 50 10 JKGE CC[C@H](C)c1ccc(OCC(=O)NN=Cc2c(C)n(Cc3ccccc3)c3ccccc23)cc1 254819741 UZXGJEQPGUJEJN-NRFANRHFSA-N 453.586 6.041 50 10 JKGE CCOc1cc(Cl)c([C@@H](Br)c2cnn(C)c2I)cc1Cl 381734713 AGVAENVDWIWGFC-GFCCVEGCSA-N 489.966 5.215 50 10 JKGE C[C@@H](C1CC1)N(Cc1ccccc1)S(=O)(=O)c1cc(Br)cc(CCl)c1F 385330733 QIGNDMMCDIRALO-ZDUSSCGKSA-N 460.796 5.316 50 10 JKGE Clc1ccc(I)c(COc2cccc(Cl)c2CBr)c1 405310008 SMWFJEVUMGDGEW-UHFFFAOYSA-N 471.947 6.072 50 10 JKGE CC(C)(C)[Si](C)(C)OCCN1CCC[C@@H](c2cccc(CO[Si](C)(C)C(C)(C)C)c2)C1 616621796 ZBNIDNAKZSJNHA-XMMPIXPASA-N 463.855 7.410 50 10 JKGE CC(C)(C)OC(=O)N1C[C@@H](c2ccc(CO[Si](C)(C)C(C)(C)C)cc2)Nc2ccccc21 616690970 WZDNRYHIHZSMOF-QFIPXVFZSA-N 454.687 7.117 50 10 JKGE CN(C(=O)c1cc(Br)c(Br)s1)[C@@H](CBr)C(C)(C)C 689206849 NRZGVTKQUUQDLI-VIFPVBQESA-N 462.045 5.155 50 10 JKGE CN(C)c1nc(COc2c(Br)cc(Br)cc2CBr)cs1 699205391 REIPPACBASIJSG-UHFFFAOYSA-N 485.039 5.208 50 10 JKGE COc1nscc1CC(CBr)(CBr)c1ccccc1Br 711603100 NPZVMLIEFFTKPH-UHFFFAOYSA-N 484.051 5.185 50 10 JKGE COC(=O)/C(F)=C/CCCCCCCCCO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C 725240254 SUNHUNYJAYQYLZ-VYIQYICTSA-N 484.728 6.710 50 10 JKGE Cc1cccc(C)c1-n1c(C)c(Br)c(C=NNC(=O)[C@@H](C)Sc2ccccc2)c1C 725422659 UBTHULMWRUBMEP-LJQANCHMSA-N 484.463 6.104 50 10 JKGE N#C/C(=C/c1cn(Cc2ccc(Cl)c(Cl)c2)c2ccccc12)C(=O)Nc1cccc([N+](=O)[O-])c1 1083946885 PEIUUWRSIQYWGB-BOPFTXTBSA-N 491.334 6.450 50 10 JKGE COc1cccc([C@@H]2Nc3ccc(C(C)=NNC(=O)c4ccccc4O)cc3[C@@H]3C=CC[C@@H]32)c1OC 1084227382 BODRVHJCHJUIAK-IOKPGSKQSA-N 483.568 5.390 50 10 JKGE Cc1ccccc1-n1c(C)c(Br)c(C=NNC(=O)CSCc2ccccc2)c1C 1084428156 VZPVIIKVASYDFO-UHFFFAOYSA-N 470.436 5.549 50 10 JKGE O=C(Nc1ccc(Cl)c(Cl)c1)NN(CC(F)(F)F)C(=O)Nc1ccc(Cl)c(Cl)c1 1088722963 OOIAXWIBGKRPID-UHFFFAOYSA-N 490.096 6.433 50 10 JKGE N#CSc1ccc(NC(=O)Oc2ccc(CNC(=O)/C=C/c3ccc(Cl)cc3)cc2)cc1 1858904725 CCQZIOZQJZJQBZ-LHHJGKSTSA-N 463.946 5.854 50 10 JKGE Cc1nn(Cc2c(F)cccc2Cl)c2c1[C@H](c1ccc(Cl)c(Cl)c1)C(C#N)=C(N)O2 1865686309 ULVPPROGPJWIRZ-LJQANCHMSA-N 463.727 5.557 50 10 JKGE C=CCOc1ccccc1[C@H]1C(C#N)=C(N)Oc2c1c(CC)nn2-c1ccc(Cl)c(Cl)c1 1865691522 UUSWXYMHQVZVEN-NRFANRHFSA-N 467.356 5.524 50 10 JKGE CCCc1nn(-c2ccccc2Cl)c2c1[C@@H](c1ccc(OCC)c(OC)c1)C(C#N)=C(N)O2 1865695197 MHOIMQPEHCYGQL-QFIPXVFZSA-N 464.953 5.104 50 10 JKGE CCCc1nn(-c2cccc3ccccc23)c2c1[C@H](c1ccccc1OC(C)C)C(C#N)=C(N)O2 1865705354 SYNCZQUZGAESOY-AREMUKBSSA-N 464.569 5.983 50 10 JKGE CCCc1nn(-c2cccc(Cl)c2)c2c1[C@@H](c1ccc(C(F)(F)F)cc1)C(C#N)=C(N)O2 1865711132 QJUCUINNKMLFBD-IBGZPJMESA-N 458.871 5.715 50 10 JKGE CC(=O)Nc1ccc(/C(C)=N/NC(=O)c2ccc(-c3ccc(Cl)c(Cl)c3)nc2C)cc1 1865763706 ZGWQYGMFUKTYQS-XODNFHPESA-N 455.345 5.476 50 10 JKGE CN1CCN(c2cc(Nc3ccc(SC#N)cc3)nc(C(C)(C)C)n2)C[C@H]1c1ccccc1 1868342585 WYLIYWZQVRGBBD-QFIPXVFZSA-N 458.635 5.584 50 10 JKGE Cc1nc(Nc2ccc(SC#N)cc2)cc(N2CCc3ccc(C(C)C)cc3[C@H]2c2ccccc2)n1 1868480837 VCFFKQRNVFRUIA-SSEXGKCCSA-N 491.664 7.377 50 10 JKGE COc1cc(/C=C(\C#N)c2nc3cc(C)ccc3n2C)ccc1OCC(=O)Nc1ccc(C)cc1 1872727819 BSDTWNHHMFDWGV-KGENOOAVSA-N 466.541 5.280 50 10 JKGE CCOc1ccc(-c2csc(/C(C#N)=C(\O)[C@@H]3CC(=O)N(c4cc(Cl)ccc4OC)C3)n2)cc1 1872747905 YPQDOLPZNOWXFO-PWEHGMCJSA-N 495.988 5.717 50 10 JKGE COc1cc(OC)c(-c2csc(/C(C#N)=C(\O)c3ccc([N+](=O)[O-])c(C)c3)n2)cc1Cl 1872756589 QTULVEWZIFTHIE-ZHZULCJRSA-N 457.895 5.647 50 10 JKGE COc1cc(C)c(-c2csc(/C(C#N)=C(O)/C(=C\c3ccccc3)c3ccccc3)n2)cc1C 1872758273 SZVOQZAXVWTADB-FEMJRMLOSA-N 464.590 7.469 50 10 JKGE COc1ccc(OC)c(-c2csc(/C(C#N)=C(\O)[C@H]3CC(=O)N([C@H](C)c4ccccc4)C3)n2)c1 1873920488 GTZLGSHUZNMJBD-GZGRSQGUSA-N 475.570 5.230 50 10 JKGE Cl[C@H](c1sncc1Br)c1sc(Br)cc1Br 1922882455 MIXRGFTXAJGMBZ-LURJTMIESA-N 452.418 5.820 50 10 JKGE Cc1cccc([C@H](Br)c2sc(Br)c(C)c2Br)c1F 1922945023 BTWGLEAZNGSOSG-JTQLQIEISA-N 457.000 6.513 50 10 JKGE Cc1c(Br)sc([C@H](Cl)c2ccc(F)c(Br)c2)c1Br 1922945890 LMZZUZGGTQOHBY-SNVBAGLBSA-N 477.418 6.811 50 10 JKGE Fc1ccc(C[C@H](Cl)c2c(Br)sc(Br)c2Cl)c(F)c1 1923065345 BDVXCUCOVPGOEW-ZETCQYMHSA-N 450.957 6.727 50 10 JKGE FC(F)(F)c1cc([C@@H](Cl)c2c(Br)sc(Br)c2Cl)cs1 1923067319 AZBBNTLACIOWOD-ZCFIWIBFSA-N 474.976 7.335 50 10 JKGE Brc1sc(Br)c([C@@H](Br)C2CCCC2)c1Br 1924575487 BBMFCKURXMDXKB-ZETCQYMHSA-N 481.873 6.662 50 10 JKGE Brc1sc(Br)c([C@H](Br)C2CC2)c1Br 1924575549 BVMYQVXSBAYIHB-RXMQYKEDSA-N 453.819 5.882 50 10 JKGE Cl[C@@H](c1c(Br)sc(Br)c1Br)[C@@H]1CCCC2(CC2)C1 1924609125 SFEHBHYBHRNMOC-GMSGAONNSA-N 477.487 7.286 50 10 JKGE Fc1cc(Br)cc(F)c1[C@H](Br)c1c(Cl)sc(Cl)c1Cl 1925583947 GUYFTTRMIHICIM-QMMMGPOBSA-N 471.375 7.233 50 10 JKGE CC1(C)CC[C@H](Br)[C@@H](CNC(=O)c2scc(Br)c2Br)C1 1927053004 VDLSQRHGGMMNCO-BDAKNGLRSA-N 488.083 5.593 50 10 JKGE O=C(c1csc(Br)c1Br)N(CCBr)Cc1ccccc1 1930633117 AATDMNPPJURTLN-UHFFFAOYSA-N 482.035 5.310 50 10 JKGE C[C@@H](Br)c1cn(-c2cc(Br)c(Br)c(Br)c2)nn1 1946435321 UZOSOHUYLWNXJC-RXMQYKEDSA-N 488.803 5.011 50 10 JKGE Fc1ccc(I)cc1[C@H](Br)c1ccc(Br)s1 1980670417 CRESYQGAZVBXLT-NSHDSACASA-N 475.946 5.739 50 10 JKGE CC1(C)C[C@H]([C@@H](Br)c2c(Br)sc(Br)c2Cl)CO1 1997141995 KIAZSFIVJCYXRF-CAHLUQPWSA-N 467.448 6.178 50 10 JKGE O=C(c1csc(Br)c1Br)N(CCCBr)C1CCC1 2032953102 CDRURVODAYZFBQ-UHFFFAOYSA-N 460.029 5.053 50 10 JKGE Cc1cc([C@@H](Br)c2cc(Br)sc2C)c(C)cc1Br 2034562010 OGUPILSYMWOVOO-CQSZACIVSA-N 453.037 6.683 50 10 JKGE CC(C)(C)[C@@H](C[C@@H](Br)c1cc(Br)c(Br)s1)C(F)F 2048749471 ROYPQTNLONEVPN-NKWVEPMBSA-N 469.027 7.027 50 10 JKGE CC(C)(C)[Si](C)(C)OC[C@]1(CO[Si](c2ccccc2)(c2ccccc2)C(C)(C)C)CCC(=O)O1 2069589451 BJLMBRFKRYYLRI-NDEPHWFRSA-N 498.812 5.661 50 10 JKGE Cc1cc([C@H](Br)c2ccc(Br)c(C)c2Br)sc1C 2083337619 JXWWERRZCNGCDE-CQSZACIVSA-N 453.037 6.683 50 10 JKGE Brc1cnsc1[C@@H](Br)c1cc(Br)c2c(c1)CCCO2 2088930707 UKSSWHSIGFNPSY-NSHDSACASA-N 468.008 5.477 50 10 JKGE Cc1cc([C@@H](Br)c2c(Br)sc(C)c2C)c(C)cc1Br 2101004272 TYWCLHPBIVTPPH-CQSZACIVSA-N 467.064 6.991 50 10 JKGE FC1(F)[C@@H]2CC(Oc3c(Br)cc(CBr)cc3Br)C[C@H]21 2107519039 MPXFHZZUKOOMAN-RKDXNWHRSA-N 460.938 5.529 50 10 JKGE CN(c1cc(Br)cc(F)c1CBr)[C@@H]1CN(Cc2ccccc2)C(C)(C)C1 2114267453 IMBWMRAYNFNNAS-KRWDZBQOSA-N 484.251 5.972 50 10 JKGE CN(C(=O)c1csc(Br)c1Br)[C@H]1CCCCC[C@H]1Br 2115913360 FPLZYSBHMMBOEN-ZJUUUORDSA-N 474.056 5.441 50 10 JKGE C[C@H](c1cc(Br)cs1)N(C)c1ccc(CBr)cc1Br 2130022442 RDVKUZMOVALKGH-SECBINFHSA-N 468.052 6.365 50 10 JKGE CCCC1(COc2c(Br)cc(Br)cc2CBr)CCC1 2133161925 HRQVXNQTRDUOLR-UHFFFAOYSA-N 455.028 6.456 50 10 JKGE CC(C)(C)OC(=O)N1CCC[C@](CI)(OC[C@H]2C[C@H]2c2ccccc2)C1 2135979016 FQBFCYPPPVNPJK-LVCYWYKZSA-N 471.379 5.011 50 10 JKGE FC(F)(F)CCCCOc1c(Br)cc(CBr)cc1Br 2136866766 FIVNCAHRYCKOLT-UHFFFAOYSA-N 468.933 6.218 50 10 JKGE COc1ccc([C@@H](Br)c2cc(Br)c(C)cc2Br)c(Cl)c1 2165934689 AVTDKQJUYPULOG-OAHLLOKOSA-N 483.425 6.666 50 10 JKGE BrCc1cc(Br)cc(Br)c1OC[C@@H]1[C@H]2CCCCC[C@H]21 2167302867 VZIGAXBGYBRTHV-WDNDVIMCSA-N 467.039 6.312 50 10 JKGE Cc1ccc(Br)c(COc2c(Br)cc(Br)cc2CCl)n1 2169026243 LKDIYPQCRCOORL-UHFFFAOYSA-N 484.413 5.995 50 10 JKGE Fc1ccc(I)cc1[C@H](Cl)c1cc2c(cc1Br)OCC2 2169660732 DWJUIDHZPKJEDS-OAHLLOKOSA-N 467.503 5.456 50 10 JKGE C[C@@H](Br)CCCc1cn(-c2c(Br)cc(Cl)cc2Br)nn1 2189284718 NFDAKKPQQDKUBF-MRVPVSSYSA-N 486.433 5.552 50 10 JKGE C[C@H]1CC[C@H](CC(CBr)(CBr)c2ccc(Br)cc2)CC1 2192999825 OIYKZYSCRJMZOU-HDJSIYSDSA-N 467.083 6.693 50 10 JKGE Cc1c(Br)ccc([C@H](Cl)c2c(F)cc(Br)cc2F)c1Br 2203682717 IVYGAOUORPDGAW-AWEZNQCLSA-N 489.379 6.889 50 10 JKGE Cc1c(Br)ccc([C@@H](Br)c2cc3c(s2)CCOC3)c1Br 2203706493 RFZFGAQOFXQBQA-OAHLLOKOSA-N 481.047 6.139 50 10 JKGE F[C@]12CCC[C@]1(CBr)CN(Cc1ccc(I)c(Cl)c1)C2 2208028807 GSQUSWDOVHHZPZ-GJZGRUSLSA-N 472.567 5.034 50 10 JKGE Fc1cc(Br)c(Br)cc1[C@H](Br)[C@H]1C[C@@H](Br)C1 2210477958 MHOCCRSXNJITLF-LJNABYEQSA-N 479.807 5.960 50 10 JKGE Cl[C@H]1CCCCC[C@H]1c1sc(Br)c(Br)c1Br 2212200435 MPMUOHDZYSSFSD-RQJHMYQMSA-N 451.449 6.691 50 10 JKGE Fc1cc(Br)c(Br)cc1[C@@H](Br)c1occc1Br 2213490858 XPCFKMYYPYLIFM-SNVBAGLBSA-N 491.774 6.191 50 10 JKGE CC[C@H](Br)CN(Cc1ccccc1)C(=O)c1cc(C)c(Br)c(C)c1 2214686113 BLXFCUIPGFHSTQ-SFHVURJKSA-N 453.218 5.882 50 10 JKGE Clc1cc(Br)ccc1C[C@@H](Br)c1ccsc1Br 2215853685 JCDYLAQUQJRXBP-SNVBAGLBSA-N 459.428 6.605 50 10 JKGE COc1cc(Br)c([C@H](Cl)c2sccc2I)cc1C 2220442828 HJUJJWDNSFNZCI-LBPRGKRZSA-N 457.558 5.760 50 10 JKGE Cc1cc(Br)c([C@H](Br)CC[C@H]2CCCO2)c(C)c1Br 2227348655 ONQVPULQCRUJOE-VXGBXAGGSA-N 455.028 6.224 50 10 JKGE C[C@@H]([C@H]1CCN(Cc2ccccc2)C1)n1c(CCl)nc2c(F)cc(Br)cc21 2232923303 LYUSQORPZBEULG-HOCLYGCPSA-N 450.783 5.760 50 10 JKGE CCOCc1cc(Br)c([C@@H](Br)c2ccc(C)c(Br)c2)s1 2233022709 PJZQAKYYMNSXHF-AWEZNQCLSA-N 483.063 6.602 50 10 JKGE C[C@@H](Cl)c1nc2ccc(F)c(Br)c2n1C[C@@H]1CC1(Br)Br 2233039017 JGLMINANAPHLQQ-RQJHMYQMSA-N 489.408 5.744 50 10 JKGE Brc1ccc([C@@H](Br)c2ccc([C@H]3CCOC3)s2)c(Br)c1 2240430699 BASWJJIOGHRQCH-BJOHPYRUSA-N 481.047 6.261 50 10 JKGE Cc1cc(F)c(Br)cc1[C@@H](Cl)c1cc(Br)c(Br)s1 2258106713 QMHOQVHNGUPPGP-LLVKDONJSA-N 477.418 6.811 50 10 JKGE CCCCc1ccc([C@H](Br)c2c(Br)cccc2Br)s1 2264375860 XWLSPNZZPSGCCS-HNNXBMFYSA-N 467.064 7.100 50 10 JKGE CCCc1ccc([C@@H](Br)c2sc(Br)c(C)c2Br)cc1 2268141148 BKUMKCBZXCGZAH-CYBMUJFWSA-N 467.064 7.018 50 10 JKGE Cc1ccc([C@@H](Br)c2cc(F)c(Br)cc2F)c(C)c1Br 2282136831 WXAUTNLOGFBZCB-OAHLLOKOSA-N 468.961 6.591 50 10 JKGE CCc1cc([C@@H](Br)c2cc(Br)cc(C(C)C)c2)sc1Br 2282918882 KVECCAXBKOCXJB-HNNXBMFYSA-N 481.091 7.443 50 10 JKGE COc1ccc([C@@H](Br)c2cccc(Br)c2F)c(Br)c1Cl 2283563444 SIQKFMDBZZBYSW-LLVKDONJSA-N 487.388 6.497 50 10 JKGE Cc1cc(OCCn2cc(C=C(C#N)C(=O)NCc3cccs3)c3ccccc32)ccc1Cl 2293752407 PZBNYKPXBQQYAV-UHFFFAOYSA-N 476.001 5.967 50 10 JKGE COc1ccc(-c2csc(C(C#N)=CNc3ccccc3OC(F)(F)[C@@H](F)Cl)n2)cc1 2295934448 ZRHUUWYVJSZNHF-HXUWFJFHSA-N 465.884 6.301 50 10 JKGE CC(C)Cc1ccc(-c2csc(C(C#N)=CNc3ccccc3I)n2)cc1 2296800826 YDMRVHLJLDKQCH-UHFFFAOYSA-N 485.394 6.590 50 10 JKGE N#CC1=C(S)N(c2ccccc2)[C@H](C=Cc2ccc(-c3ccc(Cl)cc3Cl)o2)NC1=O 2296819072 QWHDDLHBTAHTHE-OAQYLSRUSA-N 468.365 5.894 50 10 JKGE CC(=O)Nc1sc(C(C#N)=Cc2ccc(-c3cc(Cl)ccc3Cl)o2)nc1-c1cccs1 2296846530 UKDQOMSELZREIJ-UHFFFAOYSA-N 486.405 7.461 50 10 JKGE COc1ccc(NC(=O)C(C#N)=Cc2ccc(-c3ccc([N+](=O)[O-])cc3Br)o2)cc1 2297327749 AEJYGVQEZLSQFD-UHFFFAOYSA-N 468.263 5.172 50 10 JKGE N#CC(=CNc1ccc(S(N)(=O)=O)cc1)c1nc(-c2ccc(-c3ccccc3)cc2)cs1 2297624311 MNCCYRUYFULSCK-UHFFFAOYSA-N 458.568 5.101 50 10 JKGE CC(C)(CC(F)F)[C@@H](Br)c1ccc(OCc2ccccc2)cc1Br 2299492520 CQYIYTFTEFRPBN-SFHVURJKSA-N 462.172 7.146 50 10 JKGE COC(=O)c1ccc(-n2c(C)cc(C=C(C#N)C(=O)Nc3cccc(Cl)c3Cl)c2C)c(C)c1 2313571239 QNDPHEKOOKKUBH-UHFFFAOYSA-N 482.367 6.042 50 10 JKGE C[C@H]1Oc2ccccc2C=C1C=C(C#N)c1nc(-c2cccs2)c(NC(=O)c2ccco2)s1 2314433366 MSCWJGSYGNBTDL-OAHLLOKOSA-N 471.563 6.488 50 10 JKGE Clc1cccc(C[C@H](Br)c2cc(Br)ccc2OCc2ccccc2)c1 2314448709 JZPAZBVVBJCGME-FQEVSTJZSA-N 480.627 7.360 50 10 JKGE Cc1cccc([C@@H](Br)c2cc(Br)ccc2OCc2ccccc2)c1C 2314449986 VGXWHHDLAMHUQE-JOCHJYFZSA-N 460.209 7.129 50 10 JKGE Brc1cc(OCc2ccccc2)ccc1[C@H](Br)[C@@H]1OC[C@@H]2CCC[C@H]21 2314502891 MZJGFFYMYLWURQ-APMMZXSISA-N 466.213 6.279 50 10 JKGE Fc1c(Br)cc(Cl)c([C@@H](Br)[C@H](F)C(F)(F)F)c1Br 2315446477 FYPWWRDGWRPQBW-SVRRBLITSA-N 481.278 6.341 50 10 JKGE C[C@H](Oc1ccc(Cl)cc1Cl)C(=O)Oc1cccc(C=C(C#N)c2cccc(Cl)c2)c1 2320506571 MLIVTUCRSRNLOC-HNNXBMFYSA-N 472.755 7.084 50 10 JKGE CCOc1cc(C(=O)Oc2ccc(C=C(C#N)c3ccccc3)cc2)cc(OCC)c1OCC 2320507323 PCCGFXJWLRBWJT-UHFFFAOYSA-N 457.526 6.166 50 10 JKGE CCc1cccc(C)c1N1C[C@@H](C(O)=C(C#N)c2nc(-c3ccc4ccccc4c3)cs2)CC1=O 2331238684 LUKRHUQBFCCFRW-QHCPKHFHSA-N 479.605 6.680 50 10 JKGE COc1ccc(-c2csc(C(C#N)=C(O)[C@H](C)Oc3ccc(Cl)cc3Cl)n2)cc1Cl 2331399463 OEJGGQGZSZLYOY-NSHDSACASA-N 481.788 7.039 50 10 JKGE N#CC(=C(O)Cc1cc(Cl)ccc1Cl)c1nc(-c2cc(Cl)ccc2Cl)cs1 2331403918 SUVWJHIPLUZFCQ-UHFFFAOYSA-N 456.181 7.459 50 10 JKGE CCCCCOc1ccc(C=C(C#N)c2nc(-c3ccc(-c4ccccc4)cc3)cs2)cc1OC 2331414334 XWKWKDSGTMFZSS-UHFFFAOYSA-N 480.633 8.119 50 10 JKGE Cc1cc(Br)c([C@H](Br)C[C@@H]2CCC2(F)F)c(C)c1Br 2335421106 CPWOUXWOFFRNCV-GXSJLCMTSA-N 460.982 6.700 50 10 JKGE Brc1ccc(OCc2ccccc2)c([C@@H](Br)[C@@H]2COC3(CCC3)CO2)c1 2338791167 UPGUOTLMTGINPI-VQTJNVASSA-N 482.212 5.802 50 10 JKGE Cc1cc(Br)c(F)c(Br)c1[C@H](Br)C12CCC(CC1)C2 2339677396 CDRLBWLUCGSZGV-WOFGGDGOSA-N 455.003 6.675 50 10 JKGE COc1c(Br)cc(C)c([C@@H](Br)c2cocc2C)c1Br 2339689059 BSUDUXLFPZQSIT-LBPRGKRZSA-N 452.968 5.914 50 10 JKGE Brc1cccc(Br)c1CO[C@@H]1CCCCCC[C@H]1Br 2340567170 BBWJLNLVZJTHFU-HUUCEWRRSA-N 455.028 6.215 50 10 JKGE Cc1cc(Br)c([C@@H](Br)[C@@H]2OC[C@@H]3CCCC[C@@H]32)cc1Br 2358478169 RZVAPGRTJDLXGO-DPDCMNJDSA-N 467.039 6.161 50 10 JKGE COC[C@@]1([C@@H](Br)c2c(F)cc(Cl)c(Br)c2Cl)CCCO1 2360406385 KHZPYIMOJQYTQB-QWHCGFSZSA-N 450.957 5.527 50 10 JKGE CC12CC(C1)[C@H]([C@H](Br)c1c(Br)cc(Cl)c(Cl)c1Cl)CO2 2362899810 GCUXBBSXSCQENO-OUVKEWSXSA-N 463.424 6.660 50 10 JKGE COc1cc(C)c([C@H](Cl)c2c(Br)c(Br)nn2C)cc1Br 2364069751 JVGFDOVSRHKCSD-NSHDSACASA-N 487.417 5.353 50 10 JKGE Cc1cc(F)ccc1[C@H](Br)c1c(C)cc(Br)c(F)c1Br 2365177820 DOMWLPXAVOJWDR-ZDUSSCGKSA-N 468.961 6.591 50 10 JKGE Clc1cc(Cl)cc(CC[C@H](Cl)c2c(Br)sc(Br)c2Cl)c1 2366791545 BRTHGHZZQXTYTP-VIFPVBQESA-N 497.894 8.146 50 10 JKGE CCCCC1CCC(CBr)(Cc2ncc(I)cn2)CC1 2381620678 QXPKAIJISVEPHG-UHFFFAOYSA-N 451.190 5.385 50 10 JKGE CN(C[C@H](Br)COCc1ccccc1)C(=O)C1CCC(CC(F)(F)F)CC1 2381925694 UZUXOLFXOMDBFU-VJFUWPCTSA-N 450.339 5.184 50 10 JKGE COc1ccc(/C(C#N)=C\c2cccc(OC(=O)CC(c3ccccc3)c3ccccc3)c2)cc1 31903127 MEDUNHOPARWBRR-DIBXZPPDSA-N 459.545 6.887 50 10 JKGE O=C(N/N=C\c1c(O)c(Br)cc2oc3c(c12)CCCC3)c1sc2ccccc2c1O 32939191 XZDVUTKIGIXGAN-VROXFSQNSA-N 485.359 5.464 50 10 JKGE COc1cc(/C=C(/C#N)c2ccc(Cl)cc2)ccc1OC(=O)c1ccc(Cl)c([N+](=O)[O-])c1 33377650 HYYUCULRLVVXFM-YVLHZVERSA-N 469.280 6.194 50 10 JKGE Cc1cc(/C=C(/C#N)C(=O)NC[C@@H]2CCCO2)c(C)n1-c1ccc(OCc2ccc(F)cc2)cc1 33695674 KEAQAGUFMOBJRR-RPTCSZHISA-N 473.548 5.014 50 10 JKGE CC(C)c1ccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4ccc(Br)cc4)ccc32)cc1 38649394 MPEHJQZMNUIPKL-XMMPIXPASA-N 489.369 6.010 50 10 JKGE CSc1ccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)Cc4ccc(Cl)cc4)ccc32)cc1 38682594 LGSJKIQAZQBVMC-XMMPIXPASA-N 462.958 5.428 50 10 JKGE CCCOc1cccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4ccccc4OCC)ccc32)c1 38684495 PRSZYSCXZWWTGF-AREMUKBSSA-N 470.525 5.311 50 10 JKGE CCCCCOc1cccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4ccc(OC)cc4)ccc32)c1 38684763 CAIQKEBEVRLDGX-MHZLTWQESA-N 484.552 5.702 50 10 JKGE O=C(N/N=C/c1cccc2ccccc12)c1ccc2c(c1)CN(c1cccc(C(F)(F)F)c1)C2 38744574 YBAXZDFWRPXMLY-IBBHUPRXSA-N 459.471 6.143 50 10 JKGE Cc1cc(C)cc(Oc2nc3ccccn3c(=O)c2/C=C(\C#N)C(=O)Nc2ccc(C)c(C)c2)c1 39993042 SEQPNMZOBBGIQI-RCCKNPSSSA-N 464.525 5.266 50 10 JKGE COC(=O)c1c(NC(=O)/C(C#N)=C/c2ccccc2OC)sc(C)c1-c1ccc(F)cc1 40939450 JZDGBLAWQYSIAH-SFQUDFHCSA-N 450.491 5.204 50 10 JKGE O=C(CSc1ccccc1)N/N=C1/C(=O)N(C(c2ccccc2)c2ccccc2)c2ccccc21 59146362 LENBZHQCSPIQHM-TVKQRKNISA-N 477.589 5.435 50 10 JKGE O=C(N/N=C/c1cc(Br)ccc1OCc1ccccc1F)c1cc2ccccc2o1 59445112 OQHHXKINHOYEIZ-LGJNPRDNSA-N 467.294 5.677 50 10 JKGE CC(C)Oc1cccc(OC(C)C)c1-c1cccc(P(c2ccccc2)c2ccccc2)n1 100239323 URMJPFBRLRDHDF-UHFFFAOYSA-N 455.538 6.081 50 10 JKGE CCCCN1C(=O)C(C#N)=C(C)/C(=C\c2cn(-c3ccccc3)nc2C23CC4CC(CC(C4)C2)C3)C1=O 101333046 RPYYWJVVBRPPCD-VULFUBBASA-N 494.639 5.732 50 10 JKGE Cc1cccn2c(=O)c(/C=C(/C#N)C(=O)N3CCCCC3)c(Oc3ccc(C(C)(C)C)cc3)nc12 102847566 DPKPQMHMHNEWSP-JZJYNLBNSA-N 470.573 5.012 50 10 JKGE Cc1ccc(C)c(CS/C(Nc2c(C)cccc2C)=C(/C#N)S(=O)(=O)c2ccccc2)c1 104688845 LIFHHPVYKGYBAY-LCUIJRPUSA-N 462.640 6.432 50 10 JKGE COc1cccc(N/C(SCc2c(F)cccc2Cl)=C(\C#N)C(=O)NCc2ccccc2)c1 105423104 CATBBYHSPBIVML-QQTULTPQSA-N 481.980 5.885 50 10 JKGE CCc1ccc([C@@H](Br)c2cc(Br)c(C)cc2Br)s1 128768667 HODPURQIQRJNIZ-AWEZNQCLSA-N 453.037 6.628 50 10 JKGE O=[N+]([O-])c1cc(Br)ccc1Oc1cc(Br)ccc1CBr 218328102 YTUILIAUUVIJHE-UHFFFAOYSA-N 465.923 5.807 50 10 JKGE C[C@@H]1CCCC[C@H]1NC(=O)[C@H](c1ccccc1Cl)N(CCC1=CCCCC1)C(=O)CCl 230275259 QHIUIHVOUXBIFR-XANCMCCPSA-N 465.465 6.034 50 10 JKGE COc1ccc([C@@H](Cl)c2cc(I)ccc2Br)cc1F 234979969 MFEZJEQGTFOPON-CQSZACIVSA-N 455.492 5.530 50 10 JKGE Cc1cc([C@H](Br)c2ccc(Cl)cc2Br)sc1Br 235862294 YTTZXTJBCZMNFC-LLVKDONJSA-N 459.428 6.719 50 10 JKGE Cc1ccc(OCC(=O)NN=Cc2c(OC(=O)c3ccccc3)ccc3ccccc23)cc1C 254713324 APWHRNGXFHORKX-UHFFFAOYSA-N 452.510 5.205 50 10 JKGE C[C@]12CCCC[C@@H]1[C@H]2C(=O)NN=Cc1ccc(OCc2ccc([N+](=O)[O-])cc2)c(Br)c1 254714710 BMNIGCHLCRTFRF-JZWVFAODSA-N 486.366 5.213 50 10 JKGE Brc1cc([C@H](Br)c2cc(Br)sc2Br)co1 307110245 KTKGAAUMDBJOSF-QMMMGPOBSA-N 479.813 6.113 50 10 JKGE Fc1ccccc1C(CBr)(CBr)Cc1ncccc1Br 312686673 NZNMSVBYIYXXLS-UHFFFAOYSA-N 465.986 5.254 50 10 JKGE O=S(=O)(c1ccc(Cl)c(CCl)c1Cl)N(Cc1ccccc1)Cc1ccccc1 380883588 JOLNMPPNHWJSST-UHFFFAOYSA-N 454.806 6.123 50 10 JKGE CC1(C)COc2c([C@H](Br)c3coc(Br)c3)cc(Br)cc21 688197874 SFEDCYBJIRSLII-CYBMUJFWSA-N 464.979 5.959 50 10 JKGE O=C1Cc2cc([C@H](Br)c3scc(Br)c3Br)ccc2N1 705468169 RPYDWGZPDXIASG-NSHDSACASA-N 465.992 5.252 50 10 JKGE Fc1cccc([C@@H](Cl)c2cc(Br)c(Cl)s2)c1I 721671659 GSNFVPXGHKLFGM-SECBINFHSA-N 465.940 6.236 50 10 JKGE CCCCCCCC(=O)NN=C1C(=O)N(C(c2ccccc2)c2ccccc2)c2ccccc21 1084234040 UDTBHMJUMDTDBP-UHFFFAOYSA-N 453.586 6.004 50 10 JKGE CCOc1cc(C=NNC(=O)c2ccc(C)c([N+](=O)[O-])c2)ccc1OCc1ccc(Cl)cc1 1084573744 KNWPGMXWACWOFA-UHFFFAOYSA-N 467.909 5.298 50 10 JKGE CON(C)C(=O)Nc1ccc(CN(Cc2ccccc2Cl)O[Si](C)(C)C(C)(C)C)c(Cl)c1 1615217059 MXIAVCNGVDZBTN-UHFFFAOYSA-N 498.527 6.958 50 10 JKGE Cc1c(C(=O)Oc2ccc3ccccc3c2)oc2c1C(=NNC(=O)COc1ccccc1)CCC2 1772749363 KCBSJCHAMAIMOQ-UHFFFAOYSA-N 468.509 5.196 50 10 JKGE Cc1c(Cl)cccc1NC(=O)[C@@H](C)Oc1cccnc1NC(=O)Oc1ccc([N+](=O)[O-])cc1F 1858684715 PKHAMYDMGIWXGZ-CYBMUJFWSA-N 488.859 5.108 50 10 JKGE CCCOc1ccccc1/C=C/C(=O)NNC(=O)c1ccc(-c2ccc3ccccc3c2)s1 1860391457 HZMHQYKMDLRFRQ-DTQAZKPQSA-N 456.567 5.832 50 10 JKGE O=C(/C=C/c1ccc(Cl)cc1)N/N=C1\C(=O)N(Cc2ccccc2Cl)c2ccccc21 1860823004 UNXPALNQCFGQBX-KFBJJFSISA-N 450.325 5.074 50 10 JKGE C=CCOc1ccccc1[C@@H]1C(C#N)=C(N)Oc2c1c(-c1ccccc1)nn2Cc1ccc(F)cc1 1865691588 VYSPDKVPAAFOPN-RUZDIDTESA-N 478.527 5.520 50 10 JKGE CCCCOc1ccc([C@H]2C(C#N)=C(N)Oc3c2c(C)nn3-c2cccc3ccccc23)cc1 1865693331 UXSOLXBHKHZEEU-SANMLTNESA-N 450.542 5.731 50 10 JKGE N#CC1=C(N)Oc2c(c(C(F)(F)F)nn2-c2ccc(Cl)c(Cl)c2)[C@@H]1c1ccc(F)cc1 1865708317 TYLDUFCWVVNYNQ-OAHLLOKOSA-N 469.225 5.555 50 10 JKGE CCCc1nn(-c2ccccc2Cl)c2c1[C@H](c1ccc(C(F)(F)F)cc1)C(C#N)=C(N)O2 1865710603 CKMHMVGIENBWHM-LJQANCHMSA-N 458.871 5.715 50 10 JKGE Cc1ccc([C@@H](CC(=O)N[C@H](C(=O)Nc2ccc(SC#N)cc2)c2ccccc2)C2CC2)cc1C 1866722965 AXWGZNTYRSBCCE-XCZPVHLTSA-N 483.637 6.257 50 10 JKGE C/C(=C\c1cccc(Cl)c1)C(=O)N[C@H](Cc1ccc(F)cc1)C(=O)Nc1ccc(SC#N)cc1 1866817279 WTIMVCNGPFODBC-VTUIFRMYSA-N 493.991 5.822 50 10 JKGE Cc1ccccc1-c1nc(Nc2ccc(SC#N)cc2)cc(N2CCc3ccc([N+](=O)[O-])cc32)n1 1868301149 LXTOHOZQVLDOGH-UHFFFAOYSA-N 480.553 6.371 50 10 JKGE COc1cccc(-c2nc(Nc3ccc(SC#N)cc3)cc(N3C[C@H](C)Cc4ccccc43)n2)c1 1868505290 GGSKZDPKUCREIQ-LJQANCHMSA-N 479.609 6.799 50 10 JKGE N#CSc1ccc(Nc2cc(N3CCC(N4CCCCCC4)CC3)nc(-c3cccnc3)n2)cc1 1868566328 XBJJQIQLJUIIOZ-UHFFFAOYSA-N 485.661 5.700 50 10 JKGE CC[C@H](C)N1C(=O)c2ccc(/C(O)=C(\C#N)c3nc(-c4ccc(OC)cc4)cs3)cc2C1=O 1872745775 CEMITZWWWINCIO-CEGCDYRFSA-N 459.527 5.163 50 10 JKGE CCc1ccc(OCCC/C(O)=C(\C#N)c2nc(-c3cc(C(C)(C)C)ccc3OC)cs2)cc1 1872752026 ZTGOTYCFXUJXGY-BZZOAKBMSA-N 476.642 7.330 50 10 JKGE CC(C)CN1C(=O)c2ccc(/C(O)=C(\C#N)c3nc(-c4c[nH]c5ccccc45)cs3)cc2C1=O 1872753346 SLPHWUBREJJWIC-NMWGTECJSA-N 468.538 5.493 50 10 JKGE CCOc1ccc(-c2csc(/C(C#N)=C/c3ccc(N(CC)Cc4ccccc4)cc3)n2)cc1 1872790684 YTPDWWLYIZWPOV-XIEYBQDHSA-N 465.622 7.299 50 10 JKGE CCOc1cc(/C=C(\C#N)c2nc(-c3ccc(C(C)C)cc3)cs2)cc(Br)c1O 1872791776 RGYRJOMPSKHMAT-GIJQJNRQSA-N 469.404 6.864 50 10 JKGE COc1ccc(C)cc1-c1csc(/C(C#N)=C(\O)[C@@H]2CC(=O)N(c3cc(Cl)ccc3OC)C2)n1 1873920335 DGRSURVCPPEJQH-LIDWSNAKSA-N 495.988 5.635 50 10 JKGE Clc1ccc([C@@H](Br)c2ccc(OCc3ccccc3)cc2Br)s1 1899862908 VISCGRMGFFLRHT-SFHVURJKSA-N 472.629 7.227 50 10 JKGE C[C@@H](CCCl)N(Cc1ccccc1)C(=O)c1ccc(Cl)cc1I 1901581312 AMBPOCKIERURPJ-ZDUSSCGKSA-N 462.158 5.604 50 10 JKGE Clc1cc(Br)c([C@H](Cl)c2cc(I)sn2)s1 1909866107 ZYPJQBYKSFPBJO-SSDOTTSWSA-N 454.967 5.553 50 10 JKGE C[C@H](CCBr)N(Cc1ccccc1)C(=O)c1ccc(OCc2ccccc2)cc1 1915091306 VPRACVXRAJDWMP-HXUWFJFHSA-N 452.392 6.082 50 10 JKGE BrC[C@H](C1CC1)N(Cc1ccccc1)Cc1ccc(I)cc1 1915196609 CXJPZVHLSQZLSI-LJQANCHMSA-N 470.192 5.467 50 10 JKGE O=S(=O)(c1c(Cl)cc(Br)cc1Cl)N(Cc1ccccc1)C1(CCl)CCC1 1915765745 OUWQDLVPEYFZSD-UHFFFAOYSA-N 497.669 6.108 50 10 JKGE Clc1ccc(Br)c(CN(Cc2ccccc2)C2(CBr)CCC2)c1 1915790998 GGNIOKOWKQNWAH-UHFFFAOYSA-N 457.637 6.422 50 10 JKGE Cc1c(Br)sc([C@H](Cl)c2cnn(C)c2Br)c1Br 1922888735 RZIAMBPQLQQLBF-SSDOTTSWSA-N 463.420 5.406 50 10 JKGE Clc1c(Br)sc(Br)c1[C@@H](Br)C1CC2(CCCC2)C1 1923074169 IEBZWGFVYYALPZ-VIFPVBQESA-N 477.487 7.333 50 10 JKGE CC1(C)[C@H]([C@@H](Br)c2c(Br)sc(Br)c2Cl)C1(F)F 1923075171 XWUVCIIZUZAVOZ-NJGYIYPDSA-N 473.402 6.654 50 10 JKGE Clc1cc([C@H](Br)Cc2ccncc2Br)ccc1Br 1924054352 ZJHLVCGBEMTJTL-LLVKDONJSA-N 454.387 5.939 50 10 JKGE CCC[C@H](C)[C@@H](Br)c1c(Br)sc(Br)c1Br 1924575892 HGXCMYQUXLXJJU-CAHLUQPWSA-N 483.889 6.908 50 10 JKGE Brc1cc([C@H](Br)c2cc(C3CC3)c(Br)s2)cs1 1945803196 HUSOSQFNPQHUAN-NSHDSACASA-N 457.050 6.696 50 10 JKGE CC(C)(C)OC(=O)N[C@H](CBr)[C@@H]1CCC[C@H]1[C@@H]1CCCCN1C(=O)OC(C)(C)C 1975072749 RYMXWBXRAHDROO-TVFCKZIOSA-N 475.468 5.481 50 10 JKGE CC1(C)CCC([C@H](Br)c2c(Br)sc(Br)c2Cl)CC1 2039359170 ILTNSEVERZFHBO-VIFPVBQESA-N 479.503 7.579 50 10 JKGE Cc1ccc(-n2c(C)cc(C=C(C#N)c3nnc(N4CCOCC4)n3-c3ccccc3)c2C)cc1C 2040448222 GVTKKWOFJGAJGF-UHFFFAOYSA-N 478.600 5.192 50 10 JKGE Clc1ccc(COc2ccc(CBr)cc2Br)c(Br)c1 2088511283 CPDFCRQRBAXQJB-UHFFFAOYSA-N 469.398 6.339 50 10 JKGE Cc1cc(Br)c([C@H](Br)[C@@H]2CC[C@H]3C[C@H]2CO3)cc1Br 2089071333 TYJLZFDGQIBZBM-KIGUWFBYSA-N 453.012 5.771 50 10 JKGE ClCc1cccc(OCc2cccc(Br)c2Br)c1Br 2092332412 FFXVWUFGNFTSNY-UHFFFAOYSA-N 469.398 6.292 50 10 JKGE Cc1c(Br)sc([C@H](Br)[C@@H]2CCCCC23CCC3)c1Br 2117007108 JQPGJSNPKBRMDS-CMPLNLGQSA-N 471.096 7.378 50 10 JKGE Cc1cc(Br)c([C@H](Br)C[C@@H]2CCC[C@H]3C[C@@H]23)cc1Br 2121004037 UDFMMXNCOMFZNP-PVTKRXDGSA-N 451.040 6.782 50 10 JKGE Cc1cc(Br)c(C)c([C@H](Br)CCCC(F)(F)F)c1Br 2136381832 LWBBIBHFCNWDDL-SECBINFHSA-N 466.961 6.997 50 10 JKGE Cc1cc(Cl)c(Br)cc1[C@@H](Br)c1c(Cl)cccc1Br 2137641754 XEKWUNUIZDDKCI-CQSZACIVSA-N 487.844 7.311 50 10 JKGE COC1(C(F)(F)[C@@H](Br)c2ccc(Br)cc2Br)CCC1 2138860163 DJHLGFXVJHSBEV-NSHDSACASA-N 462.954 5.852 50 10 JKGE CCC1CC(C[C@H](Br)c2c(C)c(Br)cc(C)c2Br)C1 2140751494 LKDVRWQTXRCKQD-YIZWMMSDSA-N 453.056 7.091 50 10 JKGE COc1cc(Br)c(C)cc1[C@@H](Br)c1cc(Br)ccc1C 2145960223 FENDFAJWINBFBP-INIZCTEOSA-N 463.007 6.321 50 10 JKGE C[C@H]1Cc2cc([C@H](Br)c3ccccc3Br)cc(Br)c2O1 2146629498 RORDWEQTFDFQCW-VFZGTOFNSA-N 460.991 6.019 50 10 JKGE Cc1ccc(Br)c([C@@H](Br)c2cc(Br)c3c(c2)CCO3)c1 2146630371 WOSCJWYMXSHTEW-HNNXBMFYSA-N 460.991 5.939 50 10 JKGE C[C@@H]1CC[C@@H](C(C)(C)Cc2c(Br)cccc2Br)[C@H](Br)C1 2150494085 ONOOYCRUYFEACY-AXAPSJFSSA-N 467.083 6.980 50 10 JKGE C[C@H](Cl)c1nc2cc(I)ccc2n1[C@@H]1CC(C)(C)[C@H]1OCc1ccccc1 2156372224 FJGGBLPJGOVWTA-KPOBHBOGSA-N 494.804 6.497 50 10 JKGE CCCOc1ccc([C@@H](Br)c2scc(C)c2Br)cc1Br 2157035626 MSAJUXIBKRLSEA-CQSZACIVSA-N 483.063 6.855 50 10 JKGE CN(C(=O)c1cccc(Br)c1Br)[C@H]1CCCCC[C@H]1Br 2172543342 KGFNTKWLMWRJCM-YPMHNXCESA-N 468.027 5.380 50 10 JKGE C[C@@H](N(Cc1ccccc1)S(=O)(=O)c1cc(CBr)cc(F)c1F)C(C)(C)C 2179859591 GNZQCBUTSUWZDO-CQSZACIVSA-N 460.384 5.485 50 10 JKGE Fc1cccnc1CCOc1c(Br)cc(Br)cc1CBr 2199299629 DLLCREUXDYUEPF-UHFFFAOYSA-N 467.958 5.262 50 10 JKGE COc1c(Br)cc(C)cc1[C@@H](Br)c1c(Br)nn(C)c1C 2203817393 VIXULLUCZWGSJY-GFCCVEGCSA-N 466.999 5.055 50 10 JKGE COc1c(C)cc(Br)cc1[C@H](Br)c1ccc(Br)c(C)c1 2206598760 PVWKHYJHRYCCRC-OAHLLOKOSA-N 463.007 6.321 50 10 JKGE Cc1cc(Br)c([C@H](Br)c2sccc2Cl)c(C)c1Br 2220149314 MIGLGXIRNHVCPL-LBPRGKRZSA-N 473.455 7.028 50 10 JKGE Cc1cc(Br)c([C@@H](Br)c2csnc2C)c(C)c1Br 2220149422 MIRDFHRUTSBGMF-ZDUSSCGKSA-N 454.025 6.078 50 10 JKGE Cc1cc(Br)c([C@H](Cl)c2ccccc2I)c(C)c1Cl 2224311970 OKJGCKNMOXPBSU-OAHLLOKOSA-N 469.975 6.652 50 10 JKGE Cc1cc(Br)c([C@H](Br)c2ccccc2Br)c(C)c1Cl 2224318204 VAAJARTZIWYUJY-CQSZACIVSA-N 467.426 6.966 50 10 JKGE Brc1ccc(Br)c([C@@H](Br)[C@@H]2C[C@H]3CCC[C@H](C3)C2)c1 2225311212 MOJDLVKCUXZFSL-LGSVPQMISA-N 451.040 6.864 50 10 JKGE COc1ccc(Br)c(CBr)c1OCc1sncc1Br 2227735494 DNSIKWUTWIWYRV-UHFFFAOYSA-N 471.996 5.151 50 10 JKGE Fc1cc(Br)c(Br)cc1[C@H](Br)[C@@H]1C[C@H]1C1CCCCC1 2233976296 OBSINOIQPMHJLU-LYOVBCGYSA-N 469.030 7.003 50 10 JKGE Cc1sc([C@H](Br)c2cc(Br)c(F)cc2Cl)cc1Br 2258100812 CFHORFYBVNAWGN-GFCCVEGCSA-N 477.418 6.858 50 10 JKGE Cc1ccc([C@@H](Br)c2c(F)cccc2I)c(C)c1Br 2267735896 GLLJTCFCTDIFKQ-OAHLLOKOSA-N 497.971 6.294 50 10 JKGE Cc1cc([C@@H](Br)c2ccc(Cl)c(I)c2)c(F)cc1F 2268280523 QHMWGCLCVQLRGU-AWEZNQCLSA-N 457.483 6.016 50 10 JKGE COc1ccc([C@@H](Cl)c2ccc(C)cc2Br)cc1I 2269540627 HASMQYVOFPXPNC-OAHLLOKOSA-N 451.529 5.699 50 10 JKGE COc1c([C@H](Cl)c2sccc2I)cc(Br)c2c1CCC2 2284588922 CPWFRONVAFMIBH-ZDUSSCGKSA-N 483.596 5.941 50 10 JKGE C=CC[C@@]1(CBr)CCCN(C(=O)c2cc(Br)c(Br)s2)C1 2287763022 DNGYQLPMRCXZSD-AWEZNQCLSA-N 486.067 5.467 50 10 JKGE Fc1cc(Br)c(F)c(Br)c1[C@H](Cl)c1cccc(Cl)c1Cl 2288497169 PVYRQUYBPGWINI-GFCCVEGCSA-N 465.346 7.125 50 10 JKGE N#CC(=Cc1ccc(-c2ccc(C(=O)OCc3ccccc3Cl)cc2)o1)c1nc2ccccc2[nH]1 2293735595 OOCLWHPWZVOPKN-UHFFFAOYSA-N 479.923 6.897 50 10 JKGE Cc1ccc(C(=O)NN=Cc2cc(Br)ccc2OC(=O)C=Cc2ccco2)c(Cl)c1 2294402146 IGIDDJBCSGNNPU-UHFFFAOYSA-N 487.737 5.387 50 10 JKGE CCCSc1ccc(-c2nn(-c3ccccc3)cc2C=C(C#N)C(=O)NCc2ccco2)cc1 2296731333 OCENZWOFDHQZMM-UHFFFAOYSA-N 468.582 5.858 50 10 JKGE N#CC(C(=O)Nc1ccccc1)=C1S[C@@H](Cc2ccccc2)C(=O)N1c1ccc(Cl)cc1 2296834880 ZNOJHIBLRHIVFY-QFIPXVFZSA-N 459.958 5.405 50 10 JKGE Cc1cccc(NC(SCc2cccc(Cl)c2)=C(C#N)S(=O)(=O)c2ccccc2)c1C 2297350153 ARWAPPIRSKYLRO-UHFFFAOYSA-N 469.031 6.469 50 10 JKGE COc1ccc(C=C(C#N)C(=O)Nc2cc(C)ccc2C)cc1OC(=O)c1cccc2ccccc12 2297559748 FQMDVEZQCLXANU-UHFFFAOYSA-N 476.532 6.230 50 10 JKGE Cc1cc([C@H](Cl)c2sc(Cl)cc2I)ccc1Br 2301084365 SAAQJLZPRXMOHM-NSHDSACASA-N 461.977 6.405 50 10 JKGE C=CCc1cc(C=C(C#N)C(=O)N(C)C)cc(Br)c1OCc1ccc2ccccc2c1 2313567674 KIEOGBWDEMWXGZ-UHFFFAOYSA-N 475.386 5.905 50 10 JKGE COc1cc(C=C(C#N)c2nc(O)c3cc(Cl)ccc3n2)ccc1OCC(=O)Nc1ccccc1 2314489165 PCZSBJXHHXTCLP-UHFFFAOYSA-N 486.915 5.079 50 10 JKGE Brc1cc(OCc2ccccc2)ccc1[C@H](Br)[C@@H]1C[C@]12CCCOC2 2314500633 PNTITYFYAPHHIA-JBACZVJFSA-N 466.213 6.281 50 10 JKGE CCc1ccc(N2C(=O)[C@H](Cc3cccc(C)c3)SC2=C(C#N)C(=O)Nc2ccccc2)cc1 2314593200 JFTRMBPXUABNTQ-VWLOTQADSA-N 467.594 5.622 50 10 JKGE CC1=C(C#N)C(=O)N(C2CCCC2)C(=O)C1=Cc1cn(-c2ccccc2)nc1-c1ccc(Cl)cc1 2314616690 HKYBTKNUEMIOSN-UHFFFAOYSA-N 482.971 5.728 50 10 JKGE CCCC[C@@H](C)[C@@H](Br)c1c(Cl)cc(Br)c(F)c1Br 2315445857 QLBVQTWBOANMHC-RDDDGLTNSA-N 465.426 7.266 50 10 JKGE COc1cccc(C[C@@H](Br)c2sc(Cl)cc2I)c1 2316772576 WTUGPAYUFXQDDW-SNVBAGLBSA-N 457.558 5.693 50 10 JKGE Cc1c(Cl)sc(Cl)c1[C@H](Cl)c1ccc(Cl)cc1I 2317773793 NASRCWWORSTUSQ-SNVBAGLBSA-N 451.971 6.950 50 10 JKGE N#CC(=C(O)C(=Cc1ccccc1)c1ccccc1)c1nc(-c2cccc([N+](=O)[O-])c2)cs1 2331232882 UCUZVIFHSTVNJG-UHFFFAOYSA-N 451.507 6.752 50 10 JKGE COc1cccc(-c2csc(C(C#N)=C(O)c3ccc(N4C(=O)c5ccccc5C4=O)cc3)n2)c1 2331246551 ZKGHOQNCQYOCED-UHFFFAOYSA-N 479.517 5.569 50 10 JKGE COc1cc(C)c(-c2csc(C(C#N)=C(O)CCCOc3ccccc3C)n2)cc1C(C)C 2331356160 VVAQEVXPAVZTFK-UHFFFAOYSA-N 462.615 7.211 50 10 JKGE Cc1ccc(C(C)(C)C)cc1-c1csc(C(C#N)=C(O)Cc2ccc(Br)cc2)n1 2331394645 GSIMWRJURGFRPL-UHFFFAOYSA-N 467.432 7.214 50 10 JKGE COc1cc(C=C(C#N)c2nc(-c3ccc(C)cc3C)cs2)ccc1OCCN1CCOCC1 2331443445 NEUYPAMHNALXCV-UHFFFAOYSA-N 475.614 5.211 50 10 JKGE COc1c(Cl)cc(Cl)cc1-c1csc(C(C#N)=Cc2ccc(Br)cc2)n1 2331467214 OCOIZQMIWBFKRM-UHFFFAOYSA-N 466.187 6.952 50 10 JKGE Fc1c(Br)cc(Cl)c([C@H](Br)[C@@H]2C[C@H]2C(F)(F)F)c1Br 2337084091 HHDVBNGEDLMMTN-TTWOZLTLSA-N 489.326 6.639 50 10 JKGE COc1cc([C@@H](Br)c2cc3sc(Br)cc3s2)sc1Cl 2340291113 KUNUWFWWZZBSOD-LLVKDONJSA-N 458.649 6.933 50 10 JKGE ClC[C@H]1CCCC[C@H]1CNCc1ccc(I)c(Br)c1 2349845699 RINHFEFZVIPPSA-OLZOCXBDSA-N 456.593 5.189 50 10 JKGE CS(=O)(=O)c1ccc([C@@H](Cl)c2cc(Br)ccc2OCc2ccccc2)cc1 2361177557 KDASRQOSWFNGRX-OAQYLSRUSA-N 465.796 5.760 50 10 JKGE FC(F)Oc1ccccc1[C@@H](Cl)c1ccc(OCc2ccccc2)cc1Br 2361215701 VTGMUXHCFJGHGU-FQEVSTJZSA-N 453.710 6.958 50 10 JKGE CSc1ccc([C@@H](Cl)c2c(Cl)cc(Br)c(F)c2Br)cc1 2362226976 YPOIJNQDXZDEOG-CYBMUJFWSA-N 459.005 7.054 50 10 JKGE Fc1c(Br)cc(Cl)c([C@H](Br)[C@@H]2C[C@H]3C[C@H]2[C@@H]2C[C@@H]32)c1Br 2362252239 DSFZJVKRJDYBAK-ZLPBOKGHSA-N 487.432 6.732 50 10 JKGE Cc1ccc(F)c([C@@H](Br)c2c(C)cc(Br)c(F)c2Br)c1 2365178449 JNAOTAXZYZUQKQ-CYBMUJFWSA-N 468.961 6.591 50 10 JKGE COc1c(Br)cc(C)c([C@H](Br)[C@@H]2C[C@H]2C(C)(C)C)c1Br 2365195973 HKDDNMSULUHNDC-GIPNMCIBSA-N 469.055 6.647 50 10 JKGE Cc1cc(Br)c(F)c(Br)c1[C@@H](Br)[C@@H]1[C@H]2[C@H]3CC[C@@H](C3)[C@H]21 2365214889 FICPDNVJRYEANT-TWZPFNHFSA-N 467.014 6.387 50 10 JKGE Fc1cc(CBr)c(OCc2cc(I)ccc2Cl)cc1Cl 2380346382 MOWKMTKMZWEQAD-UHFFFAOYSA-N 489.937 6.211 50 10 JKGE COc1ccc(C[C@@H]2S/C(=C(\C#N)C(=O)Nc3cccc(Cl)c3)N(c3ccccc3)C2=O)cc1 2332728 ZHWAUOKBOOEUSE-GPSDDGMOSA-N 489.984 5.414 50 10 JKGE O=C(NN=Cc1ccc(OCc2ccccc2Cl)cc1)[C@@H]1COc2cc3ccccc3cc2O1 8384729 MZZROXKTZQKUMX-SANMLTNESA-N 472.928 5.362 50 10 JKGE Cc1cc(Br)cc(Br)c1OCC(=O)N/N=C/c1c(Cl)cccc1Cl 12483175 SLHDXPPJXLUOPY-QPSGOUHRSA-N 494.998 5.356 50 10 JKGE COc1cc(/C=C(/C#N)c2nc3ccccc3s2)ccc1OCc1c(F)cccc1Cl 33470820 SAZMMZBCVGUIKG-WJDWOHSUSA-N 450.922 6.741 50 10 JKGE N#C/C(=C/c1ccc(-c2c(Cl)cccc2Cl)o1)c1nc(-c2cccc([N+](=O)[O-])c2)cs1 33471757 CWLINTBHYJYUDK-UVTDQMKNSA-N 468.321 7.349 50 10 JKGE N#C/C(=C\c1cc([N+](=O)[O-])ccc1OCC(=O)Nc1ccccc1)C(=O)Nc1ccc2ccccc2c1 35519594 LPQHSFDLZCDUNC-HYARGMPZSA-N 492.491 5.311 50 10 JKGE C[C@H](Oc1ccccc1F)C(=O)Oc1ccc2c(c1)OC(N)=C(C#N)[C@@H]2c1ccccc1Cl 38651041 CGZJOPNYAWHAQP-LFVRLGFBSA-N 464.880 5.070 50 10 JKGE C[C@@H](Oc1ccc(F)cc1)C(=O)Oc1ccc2c(c1)OC(N)=C(C#N)[C@H]2c1c(Cl)cccc1Cl 38679833 DKIIAJRZCFOVNS-DMZKTXOQSA-N 499.325 5.724 50 10 JKGE Cc1ccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4sc5cc(C)ccc5c4Cl)ccc32)cc1 38686936 GGMNYZNSIFTWRF-HSZRJFAPSA-N 486.980 6.609 50 10 JKGE Cc1c(C(=O)Nc2cccnc2)oc2c1/C(=N/NC(=O)c1ccc(Cl)cc1Cl)CCC2 40813715 RLGARHKISJMOBC-WPWMEQJKSA-N 457.317 5.013 50 10 JKGE Cc1c(C(=O)NN(c2ccccc2)c2ccccc2)oc2c1/C(=N/Nc1ccccc1)CCC2 40824199 WWQNENNHRTVPMX-BGABXYSRSA-N 450.542 6.224 50 10 JKGE Cc1cc(Cl)ccc1O[C@H](C)C(=O)NNC(=O)COc1ccc(C(C)(C)CC(C)(C)C)cc1 40844794 RCRGWCLXFJNSBZ-GOSISDBHSA-N 475.029 5.356 50 10 JKGE CCCCOc1ccc(/C=N/NC(=O)COc2ccc(C(C)(C)C)cc2Br)cc1 40950815 ATXKKDCNEBYFCP-MFKUBSTISA-N 461.400 5.455 50 10 JKGE O=C(N/N=C/c1cc([N+](=O)[O-])ccc1Cl)c1ccc(OCc2ccc(Cl)cc2Cl)cc1 48573431 ZFPOVPJCDZHNPI-OPEKNORGSA-N 478.719 5.898 50 10 JKGE O=C(N/N=C/c1cccc2cccnc12)c1ccc(OCc2ccc(Cl)cc2Cl)cc1 48573554 FSYURIJUTBICPN-CCVNUDIWSA-N 450.325 5.885 50 10 JKGE CCOc1ccc(OC)cc1/C=N/NC(=O)c1ccc(OCc2ccc(Cl)cc2Cl)cc1 48573925 STZQFZSDGNPWMK-MZJWZYIUSA-N 473.356 5.744 50 10 JKGE CC(C)Cc1ccc([C@@H](C)C(=O)N/N=C/c2cc(Br)cc(Br)c2O)cc1 59146376 WFAXSAUVGIZTER-HJQVIKLGSA-N 482.216 5.370 50 10 JKGE O=C(N/N=C/c1c(O)ccc2ccccc12)c1ccccc1OCc1cccc(Br)c1 96095899 FLRKJQJSMUYGTG-JFLMPSFJSA-N 475.342 5.651 50 10 JKGE COc1cc(/C=C(/C#N)C(=O)Nc2cc(Cl)cc(Cl)c2)ccc1OC(=O)c1ccc(C)cc1 96401906 QCSHFLVTCROPTL-NVMNQCDNSA-N 481.335 6.075 50 10 JKGE C[C@H](Cl)c1nc2cc(I)ccc2n1[C@@H](C)c1ccc(Cl)s1 97354353 SBMLFDRXGRAJKW-IUCAKERBSA-N 451.160 6.265 50 10 JKGE Cc1ccc([C@H](C(=O)N[C@@H]2CCC[C@H](C)[C@@H]2C)N(CCc2ccccc2)C(=O)CCl)cc1 97914500 CKZDQHONUCYXNB-VKZLBCMESA-N 455.042 5.287 50 10 JKGE COc1ccc(S(=O)(=O)Nc2cccc(C)c2)cc1N/C=C(\C=O)c1nc2cc(Cl)ccc2o1 101136114 KRGVLCJGNHLPFS-DTQAZKPQSA-N 497.960 5.251 50 10 JKGE CC(C)OC(=O)c1ccc(N/C=C(/C#N)c2nc(-c3cc4ccccc4oc3=O)cs2)cc1 102934497 XXYLUUIYENTZSP-AQTBWJFISA-N 457.511 5.458 50 10 JKGE O=[N+]([O-])c1cc(Br)c(Oc2cccc(Cl)c2CCl)c(Br)c1 110396598 XQCXHQRYPHAUMR-UHFFFAOYSA-N 455.917 6.304 50 10 JKGE Clc1ccccc1C(CBr)(CBr)Cc1ccc(Br)s1 118671489 UXSHHEXNKBBVFV-UHFFFAOYSA-N 487.482 6.434 50 10 JKGE COc1ccc(Br)c(C[C@@H](CBr)c2ccccc2Br)c1 118867730 FDUYAZZCWSLCOH-LBPRGKRZSA-N 463.007 5.941 50 10 JKGE Cl[C@@H](c1cccc(I)c1)c1ccc(Br)c2ccccc12 127522748 IZCLDOCTWJDZHV-KRWDZBQOSA-N 457.536 6.535 50 10 JKGE Cc1cc(Br)c([C@@H](Br)Cc2ccc(F)c(F)c2)cc1Br 128757311 YUKXKEHNKIZAFG-ZDUSSCGKSA-N 468.961 6.477 50 10 JKGE COc1cc([C@H](Cl)c2cc(Br)ccc2Cl)c(OC)cc1Br 134285172 XQJQYKXSQWJZML-OAHLLOKOSA-N 454.973 6.210 50 10 JKGE O=S(=O)(N[C@H]1CCCCC[C@@H]1Br)c1c(Cl)cc(Br)cc1Cl 136208967 QJZHDXSFBPDBNY-CABZTGNLSA-N 480.049 5.130 50 10 JKGE CCN1C(=O)C(C#N)=C(C)/C(=C/c2cn(-c3ccccc3)nc2-c2ccc(OC(C)C)c(C)c2)C1=O 214210080 HINPOKJTDJWKHO-IWIPYMOSSA-N 480.568 5.247 50 10 JKGE Cc1cccc(C(C)C)c1NC(=O)/C(C#N)=C\N1CCN(C(c2ccccc2)c2ccccc2)CC1 217029444 OREBNXTWYBZCTJ-QYQHSDTDSA-N 478.640 5.872 50 10 JKGE COc1ccc(NC(=O)/C(C#N)=C\Nc2ccc(-c3nc4ccc(C)cc4s3)cc2)cc1Cl 217141481 JYZPMJPLEJGWOW-VKAVYKQESA-N 474.973 6.392 50 10 JKGE O=C(NCc1ccc(CBr)cc1)c1cc(Br)c(Br)s1 227506402 LEWWOMYPMAZWFW-UHFFFAOYSA-N 468.008 5.098 50 10 JKGE CCCOc1ccc([C@@H](Br)c2cccc(Br)c2C)cc1Br 229007637 LHWCCMLIGOLHIA-QGZVFWFLSA-N 477.034 6.793 50 10 JKGE Cc1cc(Br)c([C@@H](Br)C2Cc3ccccc3C2)cc1Br 235961344 DXURMHYXMLMXGC-KRWDZBQOSA-N 459.019 6.371 50 10 JKGE COc1ccc(C(=O)Nc2ccccc2C(=O)NN=Cc2ccccc2OCc2ccccc2)cc1 252614941 JNUAUHDDZWCOIE-UHFFFAOYSA-N 479.536 5.290 50 10 JKGE CCCCCCCCC(=O)NN=Cc1c(OC(=O)c2ccc(OCC)cc2)ccc2ccccc12 254393853 UXDLWAPECHGSDF-UHFFFAOYSA-N 474.601 6.658 50 10 JKGE CC(=NNC(=O)c1cc(-c2ccc(C)cc2)nc2ccccc12)c1ccc(Br)s1 254874761 RJWXDKZQDXEABE-UHFFFAOYSA-N 464.388 6.188 50 10 JKGE CC(C)(C)OC(=O)N1C[C@@H](CCl)[C@H](c2cc(Br)ccc2Br)C1 382695253 UDJJNQPRIUCRAP-ZWNOBZJWSA-N 453.602 5.401 50 10 JKGE FC(F)C(F)(F)CC(CBr)(CBr)c1ccc(Br)cc1 400606133 FTMJQAWEMJDRCJ-UHFFFAOYSA-N 470.924 5.767 50 10 JKGE ClCc1ccc(OCc2cc(Cl)ccc2I)c(Br)c1 405291213 HKMUNQSJWVHVHU-UHFFFAOYSA-N 471.947 6.025 50 10 JKGE C[C@@H](Br)C[C@@H]1CCCCN1Cc1cc(Cl)ccc1I 405314966 WITLSEUKANSJJC-RISCZKNCSA-N 456.593 5.473 50 10 JKGE C[C@@H]1CCCN(C(=O)c2ccc(Br)cc2Br)[C@@H]1CCBr 697201394 RUSSCJFEMAVGAN-QMTHXVAHSA-N 468.027 5.237 50 10 JKGE CO[C@@](C)(COCc1ccccc1)Cn1c([C@@H](C)Cl)nc2cc(Br)ccc21 702783997 LTTRQJAQALZZBL-QVKFZJNVSA-N 451.792 5.721 50 10 JKGE O=C1NCCc2ccc([C@H](Br)c3scc(Br)c3Br)cc21 705452310 BDQITQLHWLBTHY-NSHDSACASA-N 480.019 5.043 50 10 JKGE COc1cc(C=NNC(=O)c2cccs2)cc(Br)c1OCc1ccc(Cl)cc1 1083977406 XCOALBDXCRCHJI-UHFFFAOYSA-N 479.783 5.516 50 10 JKGE CC(=NNC(=O)COc1ccc(Br)cc1Cl)C(c1ccccc1)c1ccccc1 1083982099 BUMJORZMURMZFO-UHFFFAOYSA-N 471.782 5.806 50 10 JKGE COc1cc(C=NNC(=O)c2ccccc2OC)ccc1Oc1ccc(C(F)(F)F)cc1[N+](=O)[O-] 1083993208 SLNNCQTWSUKAIO-UHFFFAOYSA-N 489.406 5.187 50 10 JKGE O=C(COc1ccc(Br)cc1Br)NN=Cc1c(Cl)cccc1Cl 1084134796 FQUIXRDKTQOKJZ-UHFFFAOYSA-N 480.971 5.048 50 10 JKGE O=C(CSc1nc2ccccc2o1)NN=Cc1ccc(OCc2ccccc2Cl)cc1 1084188321 NKTZNDISHKBUKP-UHFFFAOYSA-N 451.935 5.303 50 10 JKGE Cc1ccc(-n2nc(C)c(C=NNC(=O)[C@H](C)Oc3ccc(Cl)cc3Cl)c2C)c(C)c1 1084216784 DCSJAPXHLRHRQL-KRWDZBQOSA-N 459.377 5.330 50 10 JKGE Cc1cc(C=NNC(=O)c2cc3cc(Br)ccc3o2)c(C)n1-c1ccccc1F 1084308608 MAHBQYCWPIXZRY-UHFFFAOYSA-N 454.299 5.506 50 10 JKGE O=C(NN=Cc1c(OCc2ccccc2Cl)ccc2ccccc12)c1ccccc1Br 1084503967 NRFXQTZXBXCQQU-UHFFFAOYSA-N 493.788 6.599 50 10 JKGE Cc1cc(/C=C(\C#N)C(=O)NCCc2c[nH]c3ccccc23)c(C)n1-c1ccc(C(C)C)cc1 1084592697 VVOGIZCAWCSQQG-PCLIKHOPSA-N 450.586 5.965 50 10 JKGE ClCc1cc(-c2cccc(I)c2)nn1-c1cc(Cl)cc(Cl)c1 1614821236 XPHXDQBEJHAWJP-UHFFFAOYSA-N 463.533 6.190 50 10 JKGE COc1ccc(/C(C#N)=C/c2ccc(OC(=O)/C=C/c3ccc(OC)c(OC)c3)c(OC)c2)cc1 1615065970 BQNNVVZVXQBBDJ-BSYOHADZSA-N 471.509 5.404 50 10 JKGE Cc1c(C(=O)NCc2ccccc2Cl)oc2c1C(=NNC(=O)c1cccc3ccccc13)CCC2 1772746869 AYJIMKWOQFVFEN-UHFFFAOYSA-N 485.971 5.795 50 10 JKGE O=C(CSc1nc2ccccc2s1)NN=Cc1ccccc1OCc1c(F)cccc1Cl 1772760353 FKSNMGIZOBPTMW-UHFFFAOYSA-N 485.993 5.910 50 10 JKGE Cc1cccc(NC(=O)[C@H](C)Oc2cccnc2NC(=O)Nc2ccc(SC#N)cc2)c1C 1858840470 LYOTXPAOWOBGLN-KRWDZBQOSA-N 461.547 5.322 50 10 JKGE CCc1nn(Cc2cccc(Cl)c2)c2c1[C@@H](c1c(Cl)cccc1Cl)C(C#N)=C(N)O2 1865685988 PBACGPNTGILWQF-GOSISDBHSA-N 459.764 5.672 50 10 JKGE COc1ccc(-c2nn(Cc3cc(C)ccc3C)c3c2[C@@H](c2ccc(C)cc2)C(C#N)=C(N)O3)cc1 1865686118 QVPDFRFJCOFFIE-SANMLTNESA-N 476.580 5.750 50 10 JKGE CCCCOc1ccc([C@H]2C(C#N)=C(N)Oc3c2c(-c2ccccc2)nn3-c2ccc(Cl)cc2)cc1 1865690417 QQSUSYQTNKCOGW-VWLOTQADSA-N 496.998 6.590 50 10 JKGE CCCOc1ccc([C@@H]2C(C#N)=C(N)Oc3c2c(CCC)nn3Cc2ccc(Cl)c(Cl)c2)cc1 1865692284 AQUYMAPJNNLUCM-HSZRJFAPSA-N 497.426 6.198 50 10 JKGE COc1ccc(-c2nn(CC(C)C)c3c2[C@H](c2ccccc2OC(C)C)C(C#N)=C(N)O3)cc1 1865705024 KHBRHPLCFJSQHG-HSZRJFAPSA-N 458.562 5.220 50 10 JKGE Cc1ccc(-n2nc(C(F)(F)F)c3c2OC(N)=C(C#N)[C@@H]3c2ccccc2OC(C)C)cc1 1865705086 LTLOCXGNDUYEIL-IBGZPJMESA-N 454.452 5.205 50 10 JKGE CC(C)Oc1ccccc1[C@H]1C(C#N)=C(N)Oc2c1c(C(F)(F)F)nn2Cc1cccc(Cl)c1 1865705150 NLZFANVOOIONNX-IBGZPJMESA-N 488.897 5.609 50 10 JKGE N#CC1=C(N)Oc2c(c(-c3ccccc3)nn2-c2ccc(Cl)cc2)[C@@H]1c1ccc(C(=O)O)cc1 1865709021 LMDUMKQVWCYWHV-OAQYLSRUSA-N 468.900 5.109 50 10 JKGE N#CC1=C(N)Oc2c(c(-c3ccccc3)nn2-c2ccc(Cl)cc2)[C@@H]1c1ccccc1[N+](=O)[O-] 1865710313 VBWFFOYQGXYWSN-OAQYLSRUSA-N 469.888 5.319 50 10 JKGE Cc1nn(Cc2ccccc2)c2c1[C@@H](NC(=O)/C(C#N)=C/c1cccc(Br)c1)CCC2 1866130894 RLOQUGWKNCAVQD-IMEWXKHHSA-N 475.390 5.103 50 10 JKGE COc1cc(/C=C(\C#N)c2ccc(C(=O)OC(C)C)o2)ccc1OCc1ccc(C(C)(C)C)cc1 1872728774 SMMUHEFXDGEDID-PXLXIMEGSA-N 473.569 6.794 50 10 JKGE COc1ccc(-c2csc(/C(C#N)=C(O)/C(=C/c3ccc(OC(C)C)cc3)c3ccccc3)n2)cc1 1872745914 JNRFITCGEVMTJE-YLOUKKIVSA-N 494.616 7.639 50 10 JKGE C[C@@H](c1ccccc1)N1C[C@@H](/C(O)=C(\C#N)c2nc(-c3cccc4ccccc34)cs2)CC1=O 1872752345 XZSCXKQZKDSDLG-KFEGPKSSSA-N 465.578 6.366 50 10 JKGE CCOC(=O)c1ccc(N2C[C@@H](/C(O)=C(\C#N)c3nc(-c4ccc(C)c(C)c4)cs3)CC2=O)cc1 1872756166 FGILTYCQPBGOEK-RCBZZLCRSA-N 487.581 5.449 50 10 JKGE CCCCCCCOc1ccc(-c2csc(/C(C#N)=C/c3ccc(C(F)(F)F)cc3)n2)cc1 1872791413 IOVWCLLJJKZGSY-LTGZKZEYSA-N 470.560 8.242 50 10 JKGE CCCCCCOc1ccc(/C=C(\C#N)c2nc(-c3ccc(C(C)C)cc3)cs2)cc1OC 1872792002 ZBHKYPXHZRHNGY-LFVJCYFKSA-N 460.643 7.965 50 10 JKGE Cc1cc(C)c(C)c(-c2csc(/C(C#N)=C/c3ccc(OCc4ccccc4Cl)cc3)n2)c1C 1872792461 AIOHQSYHBGDWCG-ZVHZXABRSA-N 485.052 8.340 50 10 JKGE N#C/C(=C\c1ccccc1)C(=O)N1CC[C@H](c2ccc(F)cc2)[C@H](COc2ccc3c(c2)OCO3)C1 1873789319 KDEKSZQMVPOIOG-FCIAJCNOSA-N 484.527 5.173 50 10 JKGE CCOc1cc(/C=N/NC(=O)[C@@H](NC(=O)OC(C)(C)C)[C@@H](C)CC)ccc1OCc1ccccc1 1873793513 NWUBTELMOZYHKQ-GYTVLKFYSA-N 483.609 5.054 50 10 JKGE CCCCCCOc1ccc(/C=N/NC(=O)[C@@H](NC(=O)OC(C)(C)C)[C@@H](C)CC)cc1OC 1873794769 ZYVJGDUPQOGAOQ-YYRJEMNESA-N 463.619 5.044 50 10 JKGE Brc1cc(OCc2ccccc2)ccc1[C@H](Br)[C@H]1C[C@@H]1Br 1886869366 IKKNHUUIJOJHOP-XIRDDKMYSA-N 475.018 6.248 50 10 JKGE Fc1c(Br)cc(Cl)c([C@H](Br)C2(Cl)CC2)c1Br 1900361362 FDJZPXQVIIBEQL-VIFPVBQESA-N 455.774 6.212 50 10 JKGE Cc1cc(Br)c(F)c(Br)c1[C@H](Br)C1(Br)CC1 1901326970 BSEYLIJTSJJPMY-JTQLQIEISA-N 479.807 6.023 50 10 JKGE C[C@H](Br)CN(Cc1ccccc1)C(=O)c1ccc(I)c(Cl)c1 1914611813 ABIQERXFLRNNPY-LBPRGKRZSA-N 492.582 5.370 50 10 JKGE CC[C@H](Br)CN(Cc1ccccc1)S(=O)(=O)c1cc(Cl)cc(Cl)c1 1915078922 WFMOLBNHGBQWBV-AWEZNQCLSA-N 451.213 5.358 50 10 JKGE O=S(=O)(c1ccc(Cl)c(F)c1Cl)N(Cc1ccccc1)[C@@H](CBr)C1CC1 1915171693 GNSKRESTNUTZGI-HNNXBMFYSA-N 481.214 5.497 50 10 JKGE COc1ccc([C@@H](Br)c2sc(Br)cc2Br)cc1OC 1922953400 CMONZBUUJKFWRU-GFCCVEGCSA-N 471.008 5.775 50 10 JKGE Clc1c(Br)sc(Br)c1[C@H](Cl)c1cc2c(s1)CCCCC2 1923048480 HJGBNJKKDZSPBE-LLVKDONJSA-N 475.098 7.585 50 10 JKGE Cc1ccc([C@@H](Br)c2c(Br)sc(Br)c2Cl)s1 1923071644 KEXRWFJBTRFJDG-SSDOTTSWSA-N 465.457 6.781 50 10 JKGE CCCC1([C@@H](Cl)c2c(Br)sc(Br)c2Br)CC1 1924580070 OEBMBTWQJSTLAG-QMMMGPOBSA-N 451.449 6.896 50 10 JKGE Cc1c(F)cccc1[C@@H](Cl)c1c(Br)sc(Br)c1Br 1924605298 OYEFVVRBUIBASU-SNVBAGLBSA-N 477.418 6.811 50 10 JKGE C[C@]1(CI)CC[C@@H](c2c(Br)cccc2Br)O1 1938361175 HGBYSBAZSHIYRQ-CMPLNLGQSA-N 459.947 5.257 50 10 JKGE Clc1c(Br)ccc(CBr)c1N(Cc1ccccc1)C[C@H]1CCCO1 1948741984 VXPAOHOIFXQWGY-MRXNPFEDSA-N 473.636 6.183 50 10 JKGE C[C@H]1C[C@H](N(C)c2ccc(CBr)c(Br)c2)CN1Cc1ccccc1 1949205793 VXNNIGOGBAMXAY-KXBFYZLASA-N 452.234 5.443 50 10 JKGE Clc1sc([C@@H](Cl)c2c(Cl)sc(Br)c2Cl)cc1Br 2004903477 YJTXQZSYFJZTMF-RXMQYKEDSA-N 475.869 7.623 50 10 JKGE CCC(CC)(CC)CO[C@]1(CI)CCCN(C(=O)OC(C)(C)C)C1 2011173175 RSQGYTXDIWZXMV-IBGZPJMESA-N 453.405 5.424 50 10 JKGE Cc1cc([C@@H](Cl)c2c(Br)sc(Br)c2Br)oc1C 2015324348 AFOGQPDQSQMOMU-SECBINFHSA-N 463.416 6.574 50 10 JKGE Cc1cccc(C)c1Cn1nc(CBr)c(I)c1C(F)(F)F 2079240617 JDGCDEPLYVSSJK-UHFFFAOYSA-N 473.074 5.067 50 10 JKGE Fc1cc(Br)c([C@H](Br)c2ncsc2Br)c(F)c1Cl 2081837445 ACTAYCVDVRVGEK-LURJTMIESA-N 482.369 6.084 50 10 JKGE Cc1cc(Cl)c(Br)cc1[C@H](Br)c1c(Br)cnn1C 2082382845 RWABJHIWCIIQHA-NSHDSACASA-N 457.391 5.391 50 10 JKGE COc1cc(Cl)c([C@@H](Cl)c2csc(I)c2)cc1Br 2082384782 KVZXILCNVTUZQZ-LBPRGKRZSA-N 477.976 6.105 50 10 JKGE Cc1c(Br)ccc([C@H](Br)C(F)(F)C(F)(F)F)c1Br 2083341354 YNLLASXKXVJETJ-QMMMGPOBSA-N 460.860 6.154 50 10 JKGE C[C@]1([C@H](Br)c2c(Cl)sc(Br)c2Cl)CCCCC1(F)F 2111644754 BUHWQPWFDWNGTA-LDYMZIIASA-N 457.005 7.469 50 10 JKGE Clc1ccc([C@@H](Br)CCc2cccc(Br)c2Br)cc1 2113492790 FPWKJXVVQYLHNX-ZDUSSCGKSA-N 467.426 6.934 50 10 JKGE Cc1sc(CBr)cc1S(=O)(=O)N(Cc1ccccc1)CC1CCCCC1 2123232167 MVCDCYGSBRARGO-UHFFFAOYSA-N 456.471 5.723 50 10 JKGE BrC[C@@H]1CCC2(CCC2)N1Cc1cc(Br)ccc1Br 2140862639 VVZRRZXBJFYVKA-ZDUSSCGKSA-N 452.028 5.494 50 10 JKGE Cc1cccc([C@H](Br)c2cc(Br)c3c(c2)CCO3)c1Br 2146630801 ZUVSGXRPWCFNGH-OAHLLOKOSA-N 460.991 5.939 50 10 JKGE COc1cc(CBr)ccc1OCc1c(Br)cccc1Br 2150487436 IDSKPENHICZSDE-UHFFFAOYSA-N 464.979 5.694 50 10 JKGE Clc1cccc(Br)c1[C@@H](Br)c1csc2c(Br)cccc12 2169464293 PSUTXWQDQOHYOV-AWEZNQCLSA-N 495.461 7.564 50 10 JKGE Cc1cc(Br)sc1[C@H](Br)c1cc(Br)cc(C(F)(F)F)c1 2172407678 HZYWNTKPFDWQCC-LLVKDONJSA-N 492.980 7.085 50 10 JKGE CCc1cc([C@H](Br)c2c(Br)cccc2Br)c(F)cc1F 2175394196 KHXJQQGIHZGYTA-HNNXBMFYSA-N 468.961 6.537 50 10 JKGE Cc1cc(Br)c(C)c([C@H](Br)[C@@]23CC[C@@H](C2)[C@H](C)O3)c1Br 2201072222 UOYOWCOSKJZOLM-KUDNYVPYSA-N 467.039 6.222 50 10 JKGE Cc1cc(Br)c(C)c([C@H](Br)Cc2ccc(F)cc2)c1Br 2201073864 OSPUMXSTDIHHSN-CQSZACIVSA-N 464.998 6.646 50 10 JKGE Cc1cc(Br)c(C)c([C@H](Cl)c2c(Br)nn(C)c2C)c1Br 2201076017 WPXKNJOCZGZSGY-ZDUSSCGKSA-N 485.445 5.961 50 10 JKGE Cc1c(Br)ccc([C@H](Br)[C@H]2C[C@H]2C2CCOCC2)c1Br 2203689946 YZFUJKQVONXACX-XEZPLFJOSA-N 467.039 6.019 50 10 JKGE FC(F)[C@@H](Br)Cc1sc(Br)c(Br)c1Br 2209972727 BRTRBFYNQIRCFZ-REOHCLBHSA-N 477.788 5.607 50 10 JKGE Cc1cc([C@H](Cl)c2sc(Br)c(C)c2C)ccc1I 2218782361 RGKSLWVTWDIQOJ-LBPRGKRZSA-N 455.586 6.369 50 10 JKGE Cc1cccc([C@H](Br)c2sc(Br)c(C)c2C)c1Br 2218789359 HMCZBZOXZKWJPO-LBPRGKRZSA-N 453.037 6.683 50 10 JKGE CC1(C)CCC[C@H]([C@H](Br)c2cc(Br)c(Br)cc2F)C1 2225618254 YLBLBYHDDOLEMH-XPTSAGLGSA-N 457.019 7.003 50 10 JKGE Fc1cc(Br)c(Br)cc1[C@H](Br)CC1CC(C(F)F)C1 2225620037 QABLPOIRDFILHI-QXUHLLMWSA-N 464.945 6.468 50 10 JKGE CC1(C)C2CCC1([C@@H](Br)c1cc(Br)c(Br)cc1F)CC2 2233973762 BHZYYGLRWLTSFP-GZMNYFOGSA-N 469.030 7.003 50 10 JKGE CCc1nc([C@@H](Br)c2cc(C)c(OC)cc2Br)c(Br)s1 2236023662 LNSLPAOETNKTKB-LBPRGKRZSA-N 484.051 6.032 50 10 JKGE Cl[C@@H](c1ccc([C@H]2CCOC2)s1)c1cc(I)ccc1Br 2240437806 DMOCWVQIRBVKRI-BJOHPYRUSA-N 483.596 5.947 50 10 JKGE Cc1cc(Br)c([C@H](Br)c2cscc2OCc2ccccc2)c(C)c1F 2253515293 AZFGFBYISSNWLD-LJQANCHMSA-N 484.228 7.330 50 10 JKGE Clc1nsc([C@H](Br)Cc2cc(Br)cc(Br)c2)c1Cl 2263512143 WMVYNOZAVBDWCP-MRVPVSSYSA-N 494.861 6.654 50 10 JKGE CCCCc1ccc([C@@H](Br)c2cccc(Br)c2Br)s1 2264374749 KALUPBJKBZMMEZ-HNNXBMFYSA-N 467.064 7.100 50 10 JKGE Cc1cc(Br)c([C@H](Br)c2cc(Br)sc2C)c(C)c1F 2264464440 UVEGEAQDHWLSFW-CYBMUJFWSA-N 471.027 6.822 50 10 JKGE Fc1cc(Br)c(F)c(Br)c1[C@@H](Br)[C@H]1CCC2(CC2)C1 2272721589 JXIGQQYGOZEUQR-CPCISQLKSA-N 458.966 6.506 50 10 JKGE Fc1cc(Br)c(F)c(Br)c1[C@H](Br)[C@@H]1CC[C@H]2C[C@@H]2C1 2272735822 WAZQGPMUIFLTQP-HIHLCYOISA-N 458.966 6.362 50 10 JKGE Cc1cc(Br)ccc1[C@H](Cl)Cc1cc(Br)cc(Br)c1 2277963778 YIKXJIYDJVHXTJ-OAHLLOKOSA-N 467.426 6.805 50 10 JKGE COc1ccc([C@H](Br)Cc2ccc(Br)cc2)c(Br)c1Cl 2283554706 QHFISJIAAYHUEP-GFCCVEGCSA-N 483.425 6.552 50 10 JKGE Brc1ccc(Br)c(CN2CCC3(CC[C@@H](Br)C3)CC2)c1 2288058579 FGWCCFAUQHCWQO-CQSZACIVSA-N 466.055 5.741 50 10 JKGE C[C@@H]1CCCC[C@]12[C@H](Br)C[C@H]2Oc1cc(I)ccc1Cl 2288259837 ZJEOZYUVPYACHT-HMTTWLPMSA-N 469.588 6.056 50 10 JKGE Cc1ccc(N2C(=O)[C@H](Cc3ccc(F)cc3)SC2=C(C#N)C(=O)Nc2ccccc2)cc1 2293038890 FHMGQXQEOHPENV-QHCPKHFHSA-N 457.530 5.199 50 10 JKGE COc1cc(C)ccc1[C@H](Br)Cc1cc(Br)cc(Br)c1 2295331645 LYJAROKOBFJMSQ-OAHLLOKOSA-N 463.007 6.207 50 10 JKGE N#CC(=CNc1cc(Cl)ccc1Cl)c1nc(-c2cc3c(ccc4ccccc43)oc2=O)cs1 2295891377 LYGQOSJEEKMEIP-UHFFFAOYSA-N 490.371 7.353 50 10 JKGE F[C@@H]1CCC[C@H]([C@H](Br)c2ccc(OCc3ccccc3)cc2Br)C1 2299535370 OBZZXACIXPGYRX-YRNRMSPPSA-N 456.193 6.992 50 10 JKGE Cc1ccc(Br)cc1[C@H](Cl)c1sc(Cl)cc1I 2300956049 UMICTRCCYBQZLN-NSHDSACASA-N 461.977 6.405 50 10 JKGE Brc1ccc(OCc2ccccc2)c([C@H](Br)[C@@H]2CC23CCOCC3)c1 2314452159 KIVRODHTPBPSIG-ICSRJNTNSA-N 466.213 6.281 50 10 JKGE N#CC(=Cc1ccc(-c2cc(Cl)ccc2Cl)o1)C(=O)Nc1ccc([N+](=O)[O-])cc1Cl 2314489433 PSUJMTFQPFKSSC-UHFFFAOYSA-N 462.676 6.361 50 10 JKGE N#CC(=Cc1ccc(-c2ccccc2F)o1)c1nc(-c2ccc(Br)cc2)cs1 2314571742 LFKPVXPYALDAJG-UHFFFAOYSA-N 451.320 7.036 50 10 JKGE C=CCOc1ccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)C=Cc4ccccc4Cl)ccc32)cc1 2314634558 IBQXXEPUGXKSHB-MHZLTWQESA-N 484.939 5.742 50 10 JKGE Fc1c(Br)cc(Cl)c([C@@H](Br)CCC(F)(F)F)c1Br 2315448508 BEQCJXSEWITNDV-BYPYZUCNSA-N 477.315 6.783 50 10 JKGE CCN1C(=O)COc2ccc(C(C)=NNC(=O)c3ccc(-c4ccc(Cl)c(Cl)c4)nc3C)cc21 2321281154 VKMOHRJAFHWXES-UHFFFAOYSA-N 497.382 5.263 50 10 JKGE CC(C)[C@H](NC(=O)OC(C)(C)C)C(=O)NN=Cc1cccc(OCc2c(Cl)cccc2Cl)c1 2328833340 YLQZZVKDSVBBKU-NRFANRHFSA-N 494.419 5.572 50 10 JKGE Cc1ccc(C)c(OCC(O)=C(C#N)c2nc(-c3cccc(Br)c3)cs2)c1C 2331278942 UFMNUYOSPAMVEI-UHFFFAOYSA-N 455.377 6.370 50 10 JKGE CCCOc1ccc(-c2csc(C(C#N)=C(O)CCCOc3ccc(Cl)cc3Cl)n2)cc1 2331318754 YPNAIDDSCWQHTM-UHFFFAOYSA-N 489.424 7.558 50 10 JKGE COc1ccc(-c2csc(C(C#N)=C(O)C34CC5CC(CC(C5)C3)C4)n2)c(OC)c1OC 2331414029 ZTCFKZSZBVSRJH-UHFFFAOYSA-N 452.576 5.845 50 10 JKGE CCCCCOc1ccc(C=C(C#N)c2nc(-c3cccc(Cl)c3)cs2)cc1OCC 2331439845 UTVJDFLFVLJJNK-UHFFFAOYSA-N 453.007 7.495 50 10 JKGE COc1ccc(-c2csc(C(C#N)=Cc3cc(Br)c(O)c(OC)c3)n2)cc1F 2331453999 KIOUDAVHCYTSFW-UHFFFAOYSA-N 461.312 5.499 50 10 JKGE C[C@@H]1OC2([C@@H](Br)c3c(Cl)cc(Br)c(F)c3Br)CC1C2 2337086717 PFNNSEILQPAIKJ-AQKUBWQISA-N 477.393 6.008 50 10 JKGE Cc1cc(Br)c(F)c(Br)c1[C@@H](Br)CC[C@@H]1CCOC1 2339652205 XBYYCUJPACDCMM-ZJUUUORDSA-N 458.991 5.912 50 10 JKGE Cc1cc(Br)c(F)c(Br)c1[C@@H](Br)[C@H]1[C@@H]2CCCO[C@@H]21 2339685633 HXFOYLADFORAST-ZURSNBDQSA-N 456.975 5.520 50 10 JKGE Clc1ccc([C@@H](CBr)OCc2cccc(I)c2)cc1 2341611543 KGBXQQPNDSPEHZ-OAHLLOKOSA-N 451.529 5.597 50 10 JKGE CC(C)(C)Oc1ccc([C@@H](Br)[C@H]2C[C@H](Br)C2)cc1Br 2353076634 PNTFZVGDMYZBPG-JTNHKYCSSA-N 455.028 6.236 50 10 JKGE Fc1cc(Cl)c(Br)c(Cl)c1[C@H](Br)C[C@@H]1C[C@@H]1C(F)(F)F 2360426284 KHWJKDXRMWGEQL-HCWXCVPCSA-N 458.902 6.920 50 10 JKGE Fc1c(Br)cc(Cl)c([C@@H](Cl)c2cc(Cl)cc(Cl)c2)c1Br 2362222426 BNOOMGWVQNVOOA-LBPRGKRZSA-N 481.801 7.639 50 10 JKGE Fc1ccc(Cl)c([C@H](Cl)c2c(Cl)cc(Br)c(F)c2Br)c1 2362235831 AKDTWMABLRJUCB-LBPRGKRZSA-N 465.346 7.125 50 10 JKGE CCCN[C@H](c1c(C)cc(Br)c(OC)c1Br)[C@H]1C[C@@H]1Br 2365188807 OLJVZKKQZFQBPO-BHDSKKPTSA-N 470.043 5.353 50 10 JKGE COc1c(Br)cc(C)c([C@@H](Br)CC2CC(C)(C)C2)c1Br 2365214667 CIVFWADANUNEPD-NSHDSACASA-N 469.055 6.791 50 10 JKGE CCCN[C@@H](c1c(C)cc(Br)c(F)c1Br)[C@H]1C[C@@H](Br)C1 2365221974 YQHJGKWYIBGRMN-HFBDOXOYSA-N 472.034 5.873 50 10 JKGE Cc1cc(Br)c(F)c(Br)c1[C@H](Br)C1(CC2CC2)CCC1 2365224842 CFGGEMDJLDXWST-HNNXBMFYSA-N 469.030 7.066 50 10 JKGE COc1c(Br)cc(C)c([C@H](Br)[C@@H]2[C@H]3CCOC[C@H]32)c1Br 2365235694 MBSYANYZEAXCIH-ZFWZSOMGSA-N 469.011 5.247 50 10 JKGE CN(Cc1c(Br)cccc1Br)c1ncc(Br)cc1CCl 2366159444 APTIJVBRVWCTAF-UHFFFAOYSA-N 483.429 5.744 50 10 JKGE Cc1nc([C@@H](Br)c2cc3c(cc2Br)OCCC3)c(Br)s1 2369621042 JAVOMOGKWPLVEZ-LBPRGKRZSA-N 482.035 5.786 50 10 JKGE COc1ccc(-n2c(C)cc(/C=C(\C#N)C(=O)N(C)CC(=O)Nc3c(C)cc(C)cc3C)c2C)cc1 30396045 FENHLQZECOXHLM-BUVRLJJBSA-N 484.600 5.032 50 10 JKGE CCOc1cc(/C=C2/C(=O)N(Cc3ccc(F)cc3)C(=O)C(C#N)=C2C)ccc1OCc1ccccc1 38608726 WRVNMJIWADTHEU-MFKUBSTISA-N 496.538 5.596 50 10 JKGE CCCCOc1cccc(C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@H]3c2cccc3ccccc23)c1 38657891 GQPUWQQVNQSCAQ-LJAQVGFWSA-N 490.559 6.456 50 10 JKGE CCCCOc1ccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4ccccc4F)ccc32)cc1OC 38660178 FPLRKLOVDZXGOT-SANMLTNESA-N 488.515 5.451 50 10 JKGE COc1ccc(Br)cc1[C@H]1C(C#N)=C(N)Oc2cc(OC(=O)c3ccccc3C)ccc21 38660671 KDBISQCNYXPGBU-QHCPKHFHSA-N 491.341 5.204 50 10 JKGE Cc1ccc2c(C)c(C(=O)Oc3ccc4c(c3)OC(N)=C(C#N)[C@@H]4c3ccccc3F)oc2c1 38687953 LKVOHNMJEJVZOD-XMMPIXPASA-N 454.457 5.626 50 10 JKGE C=CCOc1ccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4oc5ccccc5c4C)ccc32)cc1 38688576 SJXGVSOVINQYBB-SANMLTNESA-N 478.504 5.743 50 10 JKGE O=C(CCCc1c(-c2ccc3ccccc3n2)[nH]c2ccccc12)NNC(=O)c1cccc(Cl)c1 39867150 IFRDUXZXVKHMRI-UHFFFAOYSA-N 482.971 5.820 50 10 JKGE Cc1c(C(=O)Nc2nc3ccccc3s2)oc2c1/C(=N/NC(=O)c1ccccc1F)CCC2 40812419 YNBGTEJZXBRLEY-OGLMXYFKSA-N 462.506 5.060 50 10 JKGE Cc1c(C(=O)NN(c2ccccc2)c2ccccc2)oc2c1/C(=N/NC(=O)Cc1ccccc1)CCC2 40815804 OSQQBZCIYSRVNO-QCKNELIISA-N 492.579 5.470 50 10 JKGE CC(C)(C)c1ccc(/C=N/NC(=O)COc2ccc(-c3ccccc3)cc2Br)cc1 40858708 QJXMAORVXVQTQL-JVWAILMASA-N 465.391 5.943 50 10 JKGE CCCCOc1ccc(/C=C(\C#N)C(=O)Oc2ccc(C(=O)Nc3ccc(C)cc3)cc2)cc1 40867035 PGDFAZBABWUHFG-PTGBLXJZSA-N 454.526 5.939 50 10 JKGE CC(C)Cc1ccc([C@H](C)C(=O)N/N=C/c2cc(Br)cc(Br)c2O)cc1 59146377 WFAXSAUVGIZTER-HKNSOBRKSA-N 482.216 5.370 50 10 JKGE CCn1nc(C)c(Br)c1COc1ccc(CBr)cc1Br 91326434 XWSGMTSZPHTPIQ-UHFFFAOYSA-N 466.999 5.210 50 10 JKGE Fc1cc(Br)c(Cl)cc1[C@H](Br)c1ccccc1Br 97895912 SAOZKGGUXDEKTD-CYBMUJFWSA-N 457.362 6.488 50 10 JKGE COc1ccc(/C=C\C(=O)c2ccc(O)c(CCCl)c2)cc1OCc1ccc([N+](=O)[O-])cc1 98006489 UUTKDWZZRUFRRC-WTKPLQERSA-N 467.905 5.565 50 10 JKGE CCCCCCOC(=O)c1ccccc1N/C=C(/C#N)c1nc(-c2ccc(OCC)cc2)cs1 102419964 SKTQMADWNNLFMD-UZYVYHOESA-N 475.614 6.922 50 10 JKGE CCCCCCCCCCOc1ccc(C(=O)N/N=C/c2cccc(Oc3ccccc3)c2)cc1 103727493 BZOCYYWGWVMMKA-QFMPWRQOSA-N 472.629 7.762 50 10 JKGE Cc1cc(C)cc(N/C(SCc2ccccc2F)=C(\C#N)S(=O)(=O)c2ccccc2)c1 104689185 JIBFZXIARZBPAN-VHXPQNKSSA-N 452.576 5.954 50 10 JKGE C[C@H](Sc1nnc(Nc2cccc(Br)c2)s1)C(=O)C(C#N)=C1Nc2ccccc2N1 104866872 UUOJGFJSBZQKNK-NSHDSACASA-N 499.419 5.367 50 10 JKGE N#C/C(=C/c1ccc(Cl)cc1Cl)c1ccc(/C(C#N)=C\c2ccc(Cl)cc2Cl)cc1 108485956 QINAUYGCCOGPBI-QJUDHZBZSA-N 470.186 8.429 50 10 JKGE COc1c(Br)cc(Cl)cc1[C@H](Br)c1cc(Br)ccc1F 109836405 BFGZACDNJKAOPW-CYBMUJFWSA-N 487.388 6.497 50 10 JKGE Brc1cccc(C[C@@H](Br)c2ccc(I)cc2)c1 110303705 ZJZTZTWPMLJZSF-CQSZACIVSA-N 465.954 5.732 50 10 JKGE CCOc1ccc(Br)cc1[C@H](Br)c1cccc(Br)c1C 115983655 KTUASONSDSHIJV-MRXNPFEDSA-N 463.007 6.403 50 10 JKGE COc1cc([C@H](Br)c2ccccc2Br)c(OC)cc1Br 134296937 IDDZCUYTDYBRIR-OAHLLOKOSA-N 464.979 5.713 50 10 JKGE CO[C@@H]1C[C@H]2[C@@H]3CC[C@H]([C@H](C)CI)[C@@]3(C)CC[C@@H]2[C@@]2(C)CC[C@@H]3C[C@]312 135617784 PIDUBCKMZBAFGU-WGRYGTHWSA-N 456.452 6.341 50 10 JKGE COc1cc(OC)nc(Oc2cccc(-c3ccccc3)c2C(=O)Oc2ccc([N+](=O)[O-])cc2)n1 145861046 WOWIPFRAFVZTHP-UHFFFAOYSA-N 473.441 5.081 50 10 JKGE CCOc1ccc(C)cc1[C@@H](C)NC(=O)/C(C#N)=C\N(Cc1ccccc1)Cc1ccccc1 217185387 ACIOXSMAVHIJRD-GFPZRUSRSA-N 453.586 5.681 50 10 JKGE CC[C@H](NC(=O)/C(C#N)=C\Nc1ccc(Cl)cc1C(F)(F)F)c1ccc2c(c1)CCCC2 217192537 QHIAOHGFPSZBPK-NUVSWBFWSA-N 461.915 6.324 50 10 JKGE Cc1cccnc1C[C@H](Br)c1cc(I)ccc1Br 235775642 NPUQGOWGNLGUJA-ZDUSSCGKSA-N 480.969 5.436 50 10 JKGE Cc1cc(C)c([C@@H](Br)c2cc(Br)ccc2I)c(C)c1 235861918 FPDVWRWTNPSIFZ-INIZCTEOSA-N 494.008 6.463 50 10 JKGE Cc1cc([C@@H](Br)c2cc(I)ccc2Br)cc(C)c1F 235863795 LOQRNCIFLZALTB-CQSZACIVSA-N 497.971 6.294 50 10 JKGE Clc1ccc(I)c([C@@H](Cl)Cc2ccc(Br)cc2)c1 236018160 GSUNJCMSXBNJBC-ZDUSSCGKSA-N 455.948 6.230 50 10 JKGE Fc1cc(Cl)c([C@@H](Br)c2cc(Br)sc2Br)cc1F 236209862 SQSPRRDYJTXQCA-SNVBAGLBSA-N 481.381 6.689 50 10 JKGE Cc1ccccc1OCCCN1C(=O)C(=NNC(=O)COc2ccc(C(C)(C)C)cc2)c2ccccc21 245285096 VSWWUNODAFVPOY-UHFFFAOYSA-N 499.611 5.008 50 10 JKGE COc1cc(C=NNC(=O)CSc2nc3ccccc3s2)ccc1OCc1ccc(C)cc1 252618429 LGKKIOBCXJXZNR-UHFFFAOYSA-N 477.611 5.435 50 10 JKGE Cc1ccc(-c2nnc(SCC(=O)NN=Cc3cccc4ccccc34)n2-c2ccccc2)cc1 254293433 ZUAOUWLYWCLOBU-UHFFFAOYSA-N 477.593 5.638 50 10 JKGE CCCCCCCCCCCCCCCCN1C(=O)CSC1=Nc1ccc(S(=O)(=O)F)cc1 254345015 FJFHRQZPZPTVDG-UHFFFAOYSA-N 498.730 7.389 50 10 JKGE Cc1ccc(COc2ccccc2-c2cc(C(=O)NN=Cc3c(C)[nH]c4ccccc34)[nH]n2)cc1 254591403 FZTZBLTWRFRJLU-UHFFFAOYSA-N 463.541 5.518 50 10 JKGE CO[C@@H]1CCC[C@@H](Oc2c(Br)cc(Br)cc2CBr)C1 381960165 DMCXBCNVOQDWNB-VXGBXAGGSA-N 457.000 5.443 50 10 JKGE Clc1cc(CC(CBr)(CBr)c2cccc(Br)c2)cs1 393516996 YUNWLAXOMXDFJF-UHFFFAOYSA-N 487.482 6.434 50 10 JKGE C=CCC(CBr)(CBr)Cc1cc(Br)cc2c1OCC2 395337656 DWZUZLXZRYARTQ-UHFFFAOYSA-N 453.012 5.279 50 10 JKGE CC(C)(C)[Si](C)(C)OCCc1ccc([C@H]2CCCN(CCO[Si](C)(C)C(C)(C)C)C2)cc1 616618223 SWVQRRFTEUDGTC-VWLOTQADSA-N 477.882 7.452 50 10 JKGE Fc1ccc2nc(CCCl)n(C[C@@H]3CCN(Cc4ccccc4)C3)c2c1Br 689732500 MSPJDZIENXWMSU-MRXNPFEDSA-N 450.783 5.241 50 10 JKGE Fc1ccc(Br)cc1CC(CBr)(CBr)C1CCOCC1 696858162 JCFZSHZQAXHHMM-UHFFFAOYSA-N 473.018 5.334 50 10 JKGE Cn1cc([C@H](Br)c2cc(Cl)c(Cl)c(Cl)c2Cl)nc1Br 698482893 SGEQUPUVGMOATG-SSDOTTSWSA-N 467.803 6.281 50 10 JKGE C[C@]12CN(Cc3ccccc3)C[C@H]1CN(c1ccc(CBr)cc1Br)C2 702090913 XDDJDHRKKRIOHX-GHTZIAJQSA-N 464.245 5.302 50 10 JKGE Cc1cc(Br)c([C@H](Br)c2ccc(C)c(Br)c2C)cc1Cl 719546149 QYVNIMRSYTUFPF-MRXNPFEDSA-N 481.453 7.275 50 10 JKGE Cc1ccc(C)c(-n2c(C)c(Br)c(C=NNC(=O)c3cc4ccccc4cc3O)c2C)c1 1084012802 XVKHUYXSBNTRIX-UHFFFAOYSA-N 490.401 6.096 50 10 JKGE CCOc1cc(/C=C(/C#N)C(=O)NCc2cccs2)ccc1OCc1ccc(Cl)c(Cl)c1 1084090633 WALNPGHDSRQDTO-ZDLGFXPLSA-N 487.408 6.256 50 10 JKGE Cc1c(C(=O)Nc2ccc(F)cc2)oc2c1C(=NNC(=O)c1ccc(Br)cc1)CCC2 1772744383 WNHLDEMKBKIADG-UHFFFAOYSA-N 484.325 5.212 50 10 JKGE Cc1cc(NC(=O)c2oc3c(c2C)C(=NNC(=O)C(c2ccccc2)c2ccccc2)CCC3)no1 1772747554 DAAUCMLAXMJXNK-UHFFFAOYSA-N 482.540 5.125 50 10 JKGE COc1cccc(C(=O)NN=C2CCCc3oc(C(=O)Nc4ccc(Br)cc4)c(C)c32)c1 1772748548 AVHNVMKANPFOTF-UHFFFAOYSA-N 496.361 5.082 50 10 JKGE CCOc1ccc(Br)cc1C=NNC(=O)CSc1nc(-c2ccccc2)cs1 1772755223 VDOFYXYNPYMREA-UHFFFAOYSA-N 476.421 5.214 50 10 JKGE CCCc1nn(Cc2ccc(C)cc2)c2c1[C@H](c1cccc(Br)c1)C(C#N)=C(N)O2 1865684071 MIOQCCRHOZYCQV-OAQYLSRUSA-N 463.379 5.173 50 10 JKGE CCCCOc1ccc([C@@H]2C(C#N)=C(N)Oc3c2c(CC)nn3Cc2ccc(C)cc2)cc1OCC 1865686910 DWTYTRJEPYNEIB-AREMUKBSSA-N 486.616 5.598 50 10 JKGE CCCCCOc1ccc([C@H]2C(C#N)=C(N)Oc3c2c(C(F)(F)F)nn3CC)cc1OCC 1865691017 HDPIEYKWZFKADV-SFHVURJKSA-N 464.488 5.108 50 10 JKGE CCCCOc1ccc([C@H]2C(C#N)=C(N)Oc3c2c(CCC)nn3Cc2ccc(C)cc2)cc1 1865692699 OTXCPYFIRXVXHR-VWLOTQADSA-N 456.590 5.589 50 10 JKGE CCOc1ccc([C@@H]2C(C#N)=C(N)Oc3c2c(C(F)(F)F)nn3Cc2ccccc2Cl)cc1 1865692844 FZOZLVWRVFIIHF-GOSISDBHSA-N 474.870 5.220 50 10 JKGE CCCc1nn(-c2ccccc2)c2c1[C@@H](c1ccccc1OCc1ccc(Cl)cc1)C(C#N)=C(N)O2 1865701211 OZICUCOGBLFCCU-SANMLTNESA-N 496.998 6.275 50 10 JKGE CCc1nn(-c2ccccc2)c2c1[C@H](c1c(OCc3ccccc3)ccc3ccccc13)C(C#N)=C(N)O2 1865704345 TWNHJJVIQDFJKF-LJAQVGFWSA-N 498.586 6.385 50 10 JKGE CCCC[C@H](NC(=O)/C=C(/c1ccc(C)c(C)c1)C1CC1)C(=O)Nc1ccc(SC#N)cc1 1866691427 QCFJLIIYYWIXBB-WWNGRIQCSA-N 461.631 5.984 50 10 JKGE Cc1nc(Nc2ccc(SC#N)cc2)cc(N2CCC(Oc3ccc(Cl)cc3)CC2)n1 1868479912 DCMAJAGBZDKCHT-UHFFFAOYSA-N 451.983 5.803 50 10 JKGE N#C/C(=C(/O)CCc1nc2ccccc2[nH]c1=O)c1nc(-c2cccc(Br)c2)cs1 1872746262 ZVICMDWATSEXQN-HKWRFOASSA-N 479.359 5.235 50 10 JKGE C[C@H](c1ccccc1)N1C[C@H](/C(O)=C(\C#N)c2nc(-c3ccc(C(C)(C)C)cc3)cs2)CC1=O 1872751136 SUEIXLZCFBRCKC-JAKGFCRGSA-N 471.626 6.510 50 10 JKGE COc1ccc(OC)c(C/C(O)=C(\C#N)c2nc(-c3cc(C(C)C)c(OC)cc3C)cs2)c1 1872752012 ZKVGFXOPIHSVEZ-LNVKXUELSA-N 464.587 6.303 50 10 JKGE N#C/C(=C(/O)CCCOc1ccccc1Cl)c1nc(-c2ccc(Oc3ccccc3)cc2)cs1 1872753895 SHIKSFWHRWCBOC-LVWGJNHUSA-N 488.996 7.908 50 10 JKGE COc1c(C)cc(C)cc1-c1csc(/C(C#N)=C(\O)[C@H](C(C)C)N2C(=O)c3ccccc3C2=O)n1 1872754900 OHHAVKFAOHZWHH-MBDQKHHZSA-N 487.581 5.549 50 10 JKGE CCOc1ccc(OCC)c(-c2csc(/C(C#N)=C(\O)COc3ccccc3OC)n2)c1 1872754963 RLJXEARSJZYODO-ZZEZOPTASA-N 452.532 5.488 50 10 JKGE COc1ccc(/C=C/C(O)=C(\C#N)c2nc(-c3cc(OC)c(Cl)cc3OC)cs2)c(OC)c1 1872755081 XSMDOWGLMPUPGS-AHUVHIBXSA-N 484.961 6.004 50 10 JKGE CN(C)c1ccc(/C(O)=C(\C#N)c2nc(-c3cc(Cl)ccc3Cl)cs2)cc1[N+](=O)[O-] 1872758933 XICKLKULJNUPGQ-RGEXLXHISA-N 461.330 6.041 50 10 JKGE CCOc1ccc(-c2csc(/C(C#N)=C/c3ccc(OCc4ccc(Cl)cc4)cc3)n2)cc1 1872790514 OATVHBCJHUAJHE-PXLXIMEGSA-N 472.997 7.505 50 10 JKGE COc1c(C)cc(C)cc1-c1csc(/C(C#N)=C/c2ccccc2OCc2ccccc2Cl)n1 1872792911 XHTBJVWPSPHHFM-HYARGMPZSA-N 487.024 7.732 50 10 JKGE COc1ccc(-c2csc(/C(C#N)=C/c3cc(Br)ccc3O)n2)c(OC)c1OC 1872794980 HGBUOJYRMZGTGM-MDWZMJQESA-N 473.348 5.368 50 10 JKGE CCOc1cc(/C=N/NC(=O)CCCCCNC(=O)OC(C)(C)C)ccc1OCc1ccccc1C 1873795559 QGNFHEBDUJKQNN-NDZAJKAJSA-N 497.636 5.508 50 10 JKGE C[C@H](CBr)N(Cc1ccccc1)Cc1sccc1I 1888204313 ZUNUVYIBSBLBLM-GFCCVEGCSA-N 450.183 5.138 50 10 JKGE CC(C)[C@H](CBr)N(Cc1ccccc1)C(=O)c1cc(Cl)cc(Br)c1 1915298170 PWXXUVGCQGMXQS-SFHVURJKSA-N 473.636 6.164 50 10 JKGE Cc1c(Br)sc([C@@H](Br)c2ccoc2Br)c1Br 1922934150 CSGUKXGRTUBAJH-ZETCQYMHSA-N 493.840 6.421 50 10 JKGE CSc1ccc([C@H](Br)c2sc(Br)c(C)c2Br)cc1 1922953818 HUFCNMXKGJUYHZ-NSHDSACASA-N 471.077 6.788 50 10 JKGE FC1(F)[C@H]2C[C@@H]([C@@H](Cl)c3c(Br)sc(Br)c3Cl)CC[C@H]21 1923040622 VUMZDCBROIQFFS-SKHQTKALSA-N 454.989 6.888 50 10 JKGE C[C@@H](C[C@@H](Cl)c1c(Br)sc(Br)c1Br)C(C)(C)C 1924583629 MSUMRODSBQACRK-NKWVEPMBSA-N 467.492 7.388 50 10 JKGE Clc1sc(Br)c(Cl)c1[C@H](Br)c1ccc2c(c1)COCC2 1925556172 SJMQQMZWMRFWTM-LLVKDONJSA-N 457.014 6.374 50 10 JKGE CCC1([C@H](Cl)c2c(Br)sc(Br)c2Br)CCC1 1940117570 LUUDKPCMRFIQOJ-MRVPVSSYSA-N 451.449 6.896 50 10 JKGE Clc1cc([C@@H](Br)c2cccc(Br)c2Br)c(Cl)s1 1943903233 MUHNONZFIPXBQI-VIFPVBQESA-N 479.846 7.064 50 10 JKGE Cc1cccc([C@H](Cl)c2sc(Cl)cc2Br)c1I 1948824288 WTAKZNVYWXBKRC-JTQLQIEISA-N 461.977 6.405 50 10 JKGE O=C(N[C@@H](CCCCC[C@H]1CCSS1)C(=O)O)OCC1c2ccccc2-c2ccccc21 1951901417 JRBOKFQATLEIML-SBUREZEXSA-N 471.644 6.083 50 10 JKGE Clc1sc(Br)c(Cl)c1[C@H](Cl)c1cc(I)sn1 1983286651 SDFVHZYWWUVXOD-RXMQYKEDSA-N 489.412 6.207 50 10 JKGE Clc1ccc(-n2c(Cl)nc(Cl)c2CBr)c(I)c1 2006648450 UCCOJLJVOZWWAX-UHFFFAOYSA-N 466.331 5.332 50 10 JKGE COc1ccc(Br)cc1[C@H](Br)c1cc(C)sc1Br 2039503119 NDGVYOSHEDHJGZ-LBPRGKRZSA-N 455.009 6.074 50 10 JKGE CN(C(=O)c1cc(Br)sc1Br)C1CCC(Br)CC1 2042104748 OJKGAIDLXHDGLX-UHFFFAOYSA-N 460.029 5.051 50 10 JKGE CC1([C@H](Br)c2sc(Br)cc2Br)CCCCCCC1 2052513930 YYYFVNKGVGAUKS-CYBMUJFWSA-N 459.085 7.460 50 10 JKGE N#CC(=Cc1cc([N+](=O)[O-])ccc1Sc1ccc(Cl)cc1)S(=O)(=O)c1ccccc1 2053539376 KYIAYJQDLGJOIE-UHFFFAOYSA-N 456.932 5.738 50 10 JKGE Cc1cc(CBr)cc(S(=O)(=O)N(Cc2ccccc2)C(C)(C)C)c1Br 2059286460 MAUYJDMBEGZTJQ-UHFFFAOYSA-N 489.273 5.642 50 10 JKGE FC(F)(F)CC1([C@@H](Br)c2cc(Br)ccc2Br)CCC1 2095623321 XQSFGLQIFQPOIH-NSHDSACASA-N 464.945 6.770 50 10 JKGE BrC[C@]12CCC[C@@H]1CN(Cc1c(Br)cccc1Br)C2 2103175567 KCTXYEPXTWRKRU-ABAIWWIYSA-N 452.028 5.209 50 10 JKGE Clc1ccc([C@@H](Br)CCc2c(Br)cccc2Br)cc1 2113492539 BTVYEUNEPGNFRK-ZDUSSCGKSA-N 467.426 6.934 50 10 JKGE Clc1ccc([C@@H](Br)CCc2ccc(Br)cc2Br)cc1 2113493377 MOEWQGUEWATKFV-AWEZNQCLSA-N 467.426 6.934 50 10 JKGE CCn1cc(Br)c(C[C@H](CBr)c2ccc(Br)cc2)n1 2124749461 YSMLFWHOZZWVMJ-LLVKDONJSA-N 451.000 5.149 50 10 JKGE CO[C@H]1CC[C@@H](C(CBr)(CBr)c2ccccc2Br)C1 2130621228 OHHFVZWOLYYNHG-NEPJUHHUSA-N 455.028 5.292 50 10 JKGE CS(=O)(=O)c1ccc2c(c1)nc(CCl)n2CCCN(Cc1ccccc1)Cc1ccccc1 2138486683 YWYOOZXGFQURHW-UHFFFAOYSA-N 482.049 5.271 50 10 JKGE Cc1c(Br)ccc([C@H](Br)[C@H]2CCC[C@@H]2C(C)C)c1Br 2138851268 JVDIUFCNCCYTOL-BFQNTYOBSA-N 453.056 7.028 50 10 JKGE Fc1ccc(Br)cc1[C@@H](Br)c1cc(Br)c2c(c1)CCO2 2146630011 UTPJFHMFKAYMSY-AWEZNQCLSA-N 464.954 5.770 50 10 JKGE Cc1cc([C@H](Br)c2cc(Br)c3c(c2)CCO3)ccc1Br 2146630447 XKTFEEMLGZBMPC-HNNXBMFYSA-N 460.991 5.939 50 10 JKGE C[C@@H]1CC[C@H](C(C)(C)Cc2ccc(Br)cc2Br)[C@H](Br)C1 2148687554 FWBHAXXIYDYIND-DIOULYMOSA-N 467.083 6.980 50 10 JKGE COc1ccc(C[C@H](Br)c2cccc(F)c2I)cc1F 2168406283 QDSCGVVNGVDPBY-NSHDSACASA-N 453.064 5.257 50 10 JKGE Clc1nc(Cl)n([C@H]2CN(Cc3ccccc3)C3(CCCCCC3)C2)c1CBr 2175461669 FIIJHVXZKCXORV-QGZVFWFLSA-N 471.270 6.625 50 10 JKGE COc1ccc([C@@H](Br)c2cc(I)sn2)c2ccccc12 2176540517 VNQHZJLYIIMQSA-OAHLLOKOSA-N 460.134 5.394 50 10 JKGE C[C@H]1C[C@@H](n2c(CCCl)nc3cc(I)ccc32)CN(Cc2ccccc2)C1 2184261516 YHQXEICTTPXYTO-QFBILLFUSA-N 493.820 5.505 50 10 JKGE Cc1ccc([C@H](Br)c2c(C)c(Br)cc(C)c2Br)cc1C 2201073677 NTUZEZMLPIXKOQ-KRWDZBQOSA-N 461.035 6.930 50 10 JKGE Brc1ccc([C@@H](Br)[C@@H]2CC3(CCCCC3)CO2)c(Br)c1 2203687011 VSDJQOYBKDDOOY-LSDHHAIUSA-N 467.039 6.387 50 10 JKGE Cc1cc(Br)c(CCl)c(Oc2ccc(Cl)c(Cl)c2Br)c1 2206355110 UUAFNWNIBQBPAK-UHFFFAOYSA-N 459.392 7.358 50 10 JKGE FC(F)(F)[C@@H]1CC[C@H]1[C@H](Br)c1c(Br)sc(Br)c1Cl 2217676635 SBBDLAAFSGSVON-KODRXGBYSA-N 491.392 6.951 50 10 JKGE C[C@@H]1OCC[C@H]1C[C@H](Br)c1c(Br)cc(Cl)c(Cl)c1Cl 2224309803 CVRSIXWSZTZVFH-FXQIFTODSA-N 451.413 6.660 50 10 JKGE Cc1c(Br)csc1[C@H](Cl)c1cc(I)cc2c1OCC2 2226125887 ZJOORXLJOAYRQP-GFCCVEGCSA-N 469.569 5.687 50 10 JKGE CC[C@H](CC(C)C)[C@@H](Br)c1c(Br)cc(C)c(Br)c1C 2227356817 SQTILSHOFHIGOG-MLGOLLRUSA-N 455.072 7.337 50 10 JKGE Clc1cc(Br)c([C@H](Br)[C@H]2[C@H]3CCCCC[C@H]32)c(Cl)c1Cl 2232509632 DTCQPGSUKCASDI-LVNATWPUSA-N 461.452 7.672 50 10 JKGE CO[C@@H]1CCC[C@@H]([C@@H](Br)c2c(Br)cc(Cl)c(Cl)c2Cl)C1 2232509989 KQROGBIIFXXOLA-DNSOKLHBSA-N 465.440 7.051 50 10 JKGE CCOc1ccc(Br)cc1[C@H](Cl)c1ccc(C)c(I)c1 2232834183 RTBYNLZVJIPAFU-MRXNPFEDSA-N 465.556 6.089 50 10 JKGE Cc1cc(Br)c([C@@H](Cl)c2cccc(Br)c2F)c(C)c1Br 2235604038 MEKUOSOEFYYDDF-AWEZNQCLSA-N 485.416 7.058 50 10 JKGE COc1cc(Br)c([C@@H](Br)c2cccc(Br)c2Cl)cc1C 2236013318 VXSKPYWYHCXNDI-AWEZNQCLSA-N 483.425 6.666 50 10 JKGE CCn1cc(Br)c([C@@H](Br)c2c(F)cc(F)c(Br)c2F)n1 2236109668 NMQDRAXGRPBWAZ-JTQLQIEISA-N 476.916 5.330 50 10 JKGE Brc1cc(Br)cc(C[C@@H](Br)c2coc(Br)c2)c1 2252839287 OHFNQPPGXDGEGP-LLVKDONJSA-N 487.811 6.246 50 10 JKGE COc1cc(Br)c(Oc2nc(CBr)cs2)cc1Br 2254163929 TUTYVGRSOBDWCV-UHFFFAOYSA-N 457.969 5.364 50 10 JKGE Cc1c(Br)sc([C@H](Br)[C@]23CCCC[C@@H]2CC3)c1Br 2260513494 UTLPWMMBVPTMAA-LQJRIPTKSA-N 457.069 6.988 50 10 JKGE Clc1ccc([C@@H](Br)c2cc3sc(Br)cc3s2)c(Cl)c1 2278019200 HYPCKBKOCMHYNY-CYBMUJFWSA-N 457.039 7.516 50 10 JKGE CC[C@@H](C(F)(F)F)C(CBr)(CBr)c1cccc(Br)c1 2278447425 PHBUYDRGOBFJPP-LLVKDONJSA-N 466.961 6.065 50 10 JKGE CC(C)c1cc(Br)cc(C(=O)NCCCCCCI)c1 2280706439 NGILFRMKVINUAI-UHFFFAOYSA-N 452.174 5.298 50 10 JKGE COc1cc(Br)c(C)cc1[C@H](Cl)c1c(F)cccc1I 2282786548 HBFKPPAVUKRJQN-HNNXBMFYSA-N 469.519 5.838 50 10 JKGE BrCc1cc(Br)cc(Br)c1OC[C@H]1COC2(CCC2)C1 2284837772 ZWGMNSDCNBJGMH-JTQLQIEISA-N 469.011 5.445 50 10 JKGE CCOc1cc(C=C(C#N)C(=O)NCc2ccc(C)cc2)ccc1OC(=O)c1ccccc1Cl 2295672271 HZNCGPKICLLUGZ-UHFFFAOYSA-N 474.944 5.490 50 10 JKGE N#CC(=CNc1cc(Cl)cc(Cl)c1)c1nc(-c2cc3c(ccc4ccccc43)oc2=O)cs1 2295902689 RBKDDOVNKYAJFY-UHFFFAOYSA-N 490.371 7.353 50 10 JKGE N#CC(=Cc1ccc(OCCOCCOc2ccccc2)cc1)C(=O)Nc1nc2ccccc2s1 2297500333 CXPSOJFHRTUYDG-UHFFFAOYSA-N 485.565 5.316 50 10 JKGE N#CC(=Cc1ccc(Oc2ccc([N+](=O)[O-])cc2C#N)cc1)C(=O)Nc1ccc(Cl)cc1[N+](=O)[O-] 2297551440 KQEQPBADBVJPOV-UHFFFAOYSA-N 489.831 5.366 50 10 JKGE N#CC(=Cc1cccc(OCc2ccccc2Cl)c1)C(=O)Nc1cccc(Cl)c1Cl 2313630497 AWAZTOGXNAHKNV-UHFFFAOYSA-N 457.744 6.771 50 10 JKGE COc1cc(C=C(C#N)C(=O)Nc2cccc(C)c2C)ccc1OCc1ccc(Cl)c(Cl)c1 2313667029 CVVUTWUWJOGBMS-UHFFFAOYSA-N 481.379 6.744 50 10 JKGE COc1cc(C=C(C#N)C(=O)Nc2cccc3ccccc23)ccc1OCc1ccc(F)cc1 2313670517 BUOOAHCBUSDEJA-UHFFFAOYSA-N 452.485 6.112 50 10 JKGE Cc1ccc(NC(=O)C(C#N)=Cc2c(Oc3cccc(C)c3C)nc3ccccn3c2=O)cc1C 2314533106 ORCDBIJFWPKUBU-UHFFFAOYSA-N 464.525 5.266 50 10 JKGE CCCCCCOc1ccc(C=C(C#N)C(=O)Nc2ccc(Br)cc2C)cc1OC 2314792835 GSKDJQYQKKGUDR-UHFFFAOYSA-N 471.395 6.271 50 10 JKGE BrCc1ccc(Oc2cc(Br)cc(Br)c2)cc1Br 2316836417 TWMCUHDIISFMLK-UHFFFAOYSA-N 499.822 6.661 50 10 JKGE CCOc1ccc(C=CC(=O)Oc2ccc(C=C(C#N)c3ccccc3OC)cc2)cc1OC 2320507426 ZUXXHAYFANVFRZ-UHFFFAOYSA-N 455.510 5.785 50 10 JKGE CCCOc1ccc(C=NNC(=O)c2ccc(-c3ccc(Cl)cc3Cl)nc2C)cc1OC 2321242162 BWANMYCLOAZJDZ-UHFFFAOYSA-N 472.372 5.925 50 10 JKGE C[C@@H](Br)[C@@H]1CCCN(Cc2ccc(I)c(Br)c2)C1 2325215351 YDZATSODIVZHPG-ZYHUDNBSSA-N 487.017 5.049 50 10 JKGE BrC[C@@H](Cc1ccc(I)c(Br)c1)C1CCCCC1 2325217443 FDDZYHKAKUPHDO-CYBMUJFWSA-N 486.029 6.188 50 10 JKGE CCOc1cc(C=C(C#N)c2nc(O)c3cc(OC)c(OC)cc3n2)ccc1OCc1ccccc1 2331042541 KKEUUBSCMHDCKR-UHFFFAOYSA-N 483.524 5.394 50 10 JKGE C[C@H](c1ccccc1)N1C[C@@H](C(O)=C(C#N)c2nc(-c3ccc(Cl)cc3Cl)cs2)CC1=O 2331250973 CMEOYVKFMAUABA-ZBFHGGJFSA-N 484.408 6.519 50 10 JKGE N#CC(=C(O)C=Cc1ccc(Cl)cc1Cl)c1nc(-c2ccc(Br)cc2)cs1 2331260592 POOHRHLDVVUBFF-UHFFFAOYSA-N 478.198 7.385 50 10 JKGE COc1ccc(CN2C(=O)c3ccc(C(O)=C(C#N)c4nc(-c5ccccc5)cs4)cc3C2=O)cc1 2331300981 IAQVFJIAWTVEPN-UHFFFAOYSA-N 493.544 5.565 50 10 JKGE COc1cc(OC)c(-c2csc(C(C#N)=C(O)C34CC5CC(CC(C5)C3)C4)n2)cc1Cl 2331381062 CYJMWXWJIRWPRU-UHFFFAOYSA-N 456.995 6.490 50 10 JKGE COc1cc(C=C(C#N)c2nc(-c3ccc4c(c3)CCCC4)cs2)ccc1OCc1ccc(C)cc1 2331417143 WKZTVTFELTVFDO-UHFFFAOYSA-N 492.644 7.649 50 10 JKGE CCCCOc1ccc(C=C(C#N)c2nc(-c3ccc(OCCC)c(OCCC)c3)cs2)cc1 2331437794 DZHHDUIEXTZXTC-UHFFFAOYSA-N 476.642 7.631 50 10 JKGE CCCOc1ccc(-c2csc(C(C#N)=Cc3ccc(Br)cc3)n2)cc1OCCC 2331437800 FOAZTSGWSCXTIL-UHFFFAOYSA-N 483.431 7.214 50 10 JKGE CCOc1ccc(-c2csc(C(C#N)=Cc3ccc(OCCc4ccccc4)c(OC)c3)n2)cc1 2331440474 XGOIFCLVUMGPPE-UHFFFAOYSA-N 482.605 6.903 50 10 JKGE Brc1ccc([C@H](Br)[C@H]2OC[C@@H]3CCCC[C@H]23)c(Br)c1 2333520660 ORCWEZCWEUEOHX-YIVQXAGMSA-N 453.012 5.853 50 10 JKGE Cc1cc([C@@H](Br)c2ccc(OCc3ccccc3)cc2Br)cc(C)c1F 2336083984 OXVWBDISSUXZBS-OAQYLSRUSA-N 478.199 7.268 50 10 JKGE Fc1c(Br)cc(Cl)c([C@H](Br)C[C@@H]2C[C@@H]2C2CC2)c1Br 2337082115 HSLYPEKORXBIQE-DJLDLDEBSA-N 475.421 6.876 50 10 JKGE Cc1cc(Br)c(F)c(Br)c1[C@H](Br)[C@@H]1C[C@@H](C)O[C@@H]1C 2339652186 WWKKGHUIPNESMQ-MFYTUXHUSA-N 458.991 5.909 50 10 JKGE Clc1ccc(CN[C@@H](CBr)C2CCCCC2)c(I)c1 2341060669 YDZCVVMQJPHFHE-HNNXBMFYSA-N 456.593 5.378 50 10 JKGE Brc1cc2c(cc1[C@H](Br)c1cnsc1Br)CCCO2 2343589373 VSERODRZNOAJJK-LBPRGKRZSA-N 468.008 5.477 50 10 JKGE CC(C)c1cccc(COC2(CI)CCN(C(=O)OC(C)(C)C)CC2)c1 2343776277 QABCWNIOVBOXOV-UHFFFAOYSA-N 473.395 5.531 50 10 JKGE Brc1cc(CCC[C@@H](Br)c2ccccc2)ccc1I 2349780884 JTLQKYLVLVQEGS-CQSZACIVSA-N 494.008 6.513 50 10 JKGE Fc1ccc(OCc2ccc(I)c(Br)c2)c(CCl)c1 2349804323 DTSNISXWEIGXAL-UHFFFAOYSA-N 455.492 5.511 50 10 JKGE Fc1c(Br)cc(Cl)c([C@@H](Br)[C@@H]2[C@H]3CCCCC[C@H]32)c1Br 2362228929 PUKYZBASKDLLEL-XNEIYDBYSA-N 489.448 7.266 50 10 JKGE Cc1ccc([C@H](Cl)c2sc(Cl)cc2I)cc1C(F)(F)F 2363878051 XKLMHUMHUFIHMG-NSHDSACASA-N 451.078 6.662 50 10 JKGE CCN(C[C@@](C)(CI)OCc1ccc(F)cc1C1CC1)C(=O)OC(C)(C)C 2364651400 USOCFYDKUINMRC-OAQYLSRUSA-N 491.385 5.670 50 10 JKGE COc1c(Br)cc(C)c([C@H](Br)[C@@H]2C[C@@H]3CC[C@H]2C3)c1Br 2365195438 BNNFGLLGMNUBLW-FBKDDSFISA-N 467.039 6.401 50 10 JKGE Clc1ccc([C@@H](Cl)c2ccc3c(c2Br)CCO3)c(I)c1 2365594732 BHSSLKCCHFOTMK-OAHLLOKOSA-N 483.958 5.970 50 10 JKGE Clc1ccc(C[C@@H]2CCc3ccccc3[C@H]2Br)c(I)c1 2366715246 PDBOBRPXNDHVQB-GUYCJALGSA-N 461.568 6.186 50 10 JKGE Fc1cc(F)c(OCc2ccc(Cl)cc2I)c(CBr)c1 2366729635 MYQZHLCFHCBNMY-UHFFFAOYSA-N 473.482 5.697 50 10 JKGE Cc1oc(Br)cc1[C@@H](Br)c1cc2c(cc1Br)OCCC2 2369641399 YTXVSOXFDAIZGM-OAHLLOKOSA-N 464.979 5.922 50 10 JKGE CC(C)(C)OC(=O)NC[C@@]1(C)CN(CCCCCCCCCBr)CC1(F)F 2379682019 MTEXNOYFFODFET-IBGZPJMESA-N 455.428 5.594 50 10 JKGE Cc1cc(Br)c(C(C)C)cc1[C@H](Br)c1scc(Cl)c1Cl 2380940072 RBQABNGAWJSMPJ-ZDUSSCGKSA-N 457.058 7.734 50 10 JKGE Cc1cc(OCc2ccc(C(=O)N/N=C3\CCCC[C@H]3C3CCCCC3)cc2)ccc1Cl 12603425 AGJITWOFSNTODI-OKFWAUQQSA-N 453.026 7.084 50 10 JKGE Cc1nn(-c2ccccc2)c(Cl)c1/C=N/NC(=O)[C@H]1CC1(c1ccccc1)c1ccccc1 27496486 AEMKSHYFURCHEW-FOBKEZNCSA-N 454.961 5.290 50 10 JKGE CCOc1ccccc1/C=C(/C#N)c1nc(-c2cc3c(ccc4ccccc43)oc2=O)cs1 33391255 ZUFLXGKRKMOPFG-UYRXBGFRSA-N 450.519 6.533 50 10 JKGE Cc1ccc(-c2ccc(/C=C(/C#N)C(=O)NCCc3c[nH]c4ccccc34)o2)c(Br)c1 33603219 FDEBCOAIYJKHCM-AQTBWJFISA-N 474.358 5.765 50 10 JKGE CCCCCOc1ccc(C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@@H]3c2ccc(C(C)C)cc2)cc1 38649513 BMBKCCUYJYUZBG-GDLZYMKVSA-N 496.607 6.816 50 10 JKGE CSc1ccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4oc5ccc(C)cc5c4C)ccc32)cc1 38700759 HPDNSPJKKMKVTB-VWLOTQADSA-N 482.561 6.209 50 10 JKGE CCOc1cccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4oc5cc(C)ccc5c4C)ccc32)c1 38701201 XGQXLUUHOJRULH-SANMLTNESA-N 480.520 5.886 50 10 JKGE Cc1ccc(OC(=O)c2oc3c(c2C)/C(=N/NC(=O)c2ccc(Cl)c([N+](=O)[O-])c2)CCC3)cc1 40813485 UFMFPXQFKVUXER-NLRVBDNBSA-N 481.892 5.148 50 10 JKGE COc1ccc(CNC(=O)/C(C#N)=C/c2ccc(OCc3ccccc3Cl)c(OC)c2)cc1 59224988 RSNXAWIMPSXQJB-FYJGNVAPSA-N 462.933 5.160 50 10 JKGE CC1=C(C(=O)N/N=C/c2ccc(Cl)cc2Cl)[C@@H](c2ccc(Cl)cc2Cl)NC(=S)N1 59384943 DLRUBGORQGITJL-XIPYGMLFSA-N 488.227 5.243 50 10 JKGE O=C(Nc1ccccc1C(=O)N/N=C\c1c(F)cccc1Cl)c1cccc(Br)c1 59391122 HOPFMDGNWFCBPX-ROTLSHHCSA-N 474.717 5.258 50 10 JKGE CCc1ccc(N2C(=O)[C@H](Cc3ccc(C)c(C)c3)S/C2=C(/C#N)C(=O)Nc2ccccc2C)cc1 101244942 YAIYCFCVKFYANF-SFJGOQPCSA-N 495.648 6.239 50 10 JKGE COc1cc(/C=C2/C(=O)N(Cc3ccccc3)C(=O)C(C#N)=C2C)ccc1OCc1ccc(F)cc1 101335186 HFXFCGKEFZWJEV-ZVHZXABRSA-N 482.511 5.206 50 10 JKGE C[C@@H](Cl)c1nc2ccc(Br)cc2n1-c1cccc(I)c1 115769905 SNKQBEOGVVFZLO-SECBINFHSA-N 461.528 5.692 50 10 JKGE Cc1cc(Br)c([C@@H](Br)c2csc(I)c2)s1 118884146 ISVQFGDBYOKYHF-VIFPVBQESA-N 478.012 5.969 50 10 JKGE CCc1cc(CC)c([C@H](Br)c2csc(I)c2)c(CC)c1 148085649 VUNGGXMORRSJSJ-QGZVFWFLSA-N 463.222 6.524 50 10 JKGE C[C@@H](Cl)c1nc2cc(F)c(Br)cc2n1Cc1ccc(Br)s1 158639712 HZSRZNRYUCCEKR-SSDOTTSWSA-N 452.574 6.110 50 10 JKGE COc1cccc(CN(C(=O)CCl)[C@H](C(=O)N[C@H]2CCCC[C@@H]2C)c2ccc(Cl)cc2)c1 169691462 ULFMPNOQTDYKIO-OWSXEPHWSA-N 477.432 5.352 50 10 JKGE CCCCN1C(=O)C(C#N)=C(C)/C(=C/c2cn(-c3ccccc3)nc2-c2ccc(OCC)c(C)c2)C1=O 214226153 DTCRQDCKZPUZRT-UQQQWYQISA-N 494.595 5.639 50 10 JKGE COc1ccc([C@H](Br)c2cccc(F)c2Br)c(OC)c1Br 224860606 VOFIOGMVVGSCGZ-GFCCVEGCSA-N 482.969 5.852 50 10 JKGE C[C@@H]1CCCC[C@H]1NC(=O)[C@H](c1ccc(Cl)cc1)N(Cc1cccc(Cl)c1)C(=O)CCl 230274982 BZXUWBIOFLUDGQ-VZPUWSDOSA-N 481.851 5.997 50 10 JKGE ClCCCCCCOc1c(I)cc(Cl)cc1I 310416296 NCHHZKQKKZXVKY-UHFFFAOYSA-N 498.957 5.727 50 10 JKGE COc1c(C)cc(Br)c(C)c1[C@H](Br)c1nscc1Br 404772241 JVPVOPMONZGKAV-NSHDSACASA-N 470.024 5.778 50 10 JKGE CC(C)(C)[Si](C)(C)OCCc1cccc([C@H]2CN(CCO[Si](C)(C)C(C)(C)C)CCCO2)c1 616598507 MPWKBTAKCGPGJA-RUZDIDTESA-N 493.881 7.036 50 10 JKGE CC(C)(C)[Si](C)(C)OCCc1ccc([C@H]2CCCCN2CCO[Si](C)(C)C(C)(C)C)cc1 616615292 UUBXFZLTLKOUDV-RUZDIDTESA-N 477.882 7.800 50 10 JKGE CC(=O)O[C@H]1CC[C@H]2[C@@H]3CC[C@@]45O[C@@H]4[C@@H](O[Si](C)(C)C(C)(C)C)CC[C@]5(C)[C@H]3CC[C@]12C 685945370 IELCESRZODKCES-LYCCCLDESA-N 462.747 6.483 50 10 JKGE Clc1cc(Br)c(OCc2ncccc2Br)c(CBr)c1 708091422 UNRLKZBDKVWTHC-UHFFFAOYSA-N 470.386 5.734 50 10 JKGE BrCc1ccc(N2CC[C@@H]3[C@H](CCCN3Cc3ccccc3)C2)cc1Br 715016583 WGGVRVMPNRQKPQ-DENIHFKCSA-N 478.272 5.835 50 10 JKGE Clc1cc2c(c([C@@H](Cl)c3ccc(I)c(Br)c3)c1)OCC2 721572657 MOMMHFQPVARFET-AWEZNQCLSA-N 483.958 5.970 50 10 JKGE CCOc1cc(C=NNC(=O)C(O)(c2ccccc2)c2ccccc2)ccc1OCc1ccccc1F 1083915704 AYVYCSUYJXCJME-UHFFFAOYSA-N 498.554 5.190 50 10 JKGE C#CCOc1c(Cl)cc(/C=C(\C#N)C(=O)Nc2cccc(Cl)c2Cl)cc1Br 1084328482 KXLGKUHLKAMQGT-KPKJPENVSA-N 484.564 5.967 50 10 JKGE COc1ccc(OCCn2cc(/C=C(/C#N)C(=O)NCc3cccs3)c3ccccc32)cc1 1084387963 GKUORGRSBWMHEN-CYVLTUHYSA-N 457.555 5.014 50 10 JKGE Cc1cccc(C(=O)NN=C2C(=O)N(Cc3ccc(Cl)cc3)c3ccc(Br)cc32)c1 1772752334 WGGRRUSGWLGPJO-UHFFFAOYSA-N 482.765 5.092 50 10 JKGE N#CC1=C(N)Oc2c(c(-c3ccccc3)nn2-c2cccc(Cl)c2)[C@@H]1c1cccc(Cl)c1 1865683363 JWUYMIHTQVJLTE-OAQYLSRUSA-N 459.336 6.064 50 10 JKGE N#CC1=C(N)Oc2c(c(-c3ccccc3)nn2Cc2ccc(Cl)cc2)[C@H]1c1ccc(F)cc1F 1865702099 MNXBUWLWQLVPLN-QFIPXVFZSA-N 474.898 5.748 50 10 JKGE CCc1nn(-c2ccc(Cl)cc2)c2c1[C@@H](c1cc(Br)ccc1F)C(C#N)=C(N)O2 1865702313 SEQCLPXPSZEZCC-SFHVURJKSA-N 473.733 5.208 50 10 JKGE C[C@@H](NC(=O)C[C@H](c1ccccc1)c1ccc(F)c(F)c1)C(=O)Nc1ccc(SC#N)cc1 1867117359 PMJGUDLACBXIHE-IIBYNOLFSA-N 465.525 5.203 50 10 JKGE COc1ccc(OC)c(C/C(O)=C(\C#N)c2nc(-c3cccc(Br)c3)cs2)c1 1872746088 RAHVAUYSTYJHSS-ZPHPHTNESA-N 457.349 5.625 50 10 JKGE COc1cc(OC)c(-c2csc(/C(C#N)=C(\O)c3cccc(NC(C)=O)c3)n2)cc1Cl 1872756683 VQDREGAJNOHXGS-PGMHBOJBSA-N 455.923 5.389 50 10 JKGE COc1cc(/C(O)=C(\C#N)c2nc(-c3cc(Cl)cc(C)c3OC)cs2)cc(OC)c1OC 1872756899 GQWNIKTZNNENMB-SILNSSARSA-N 472.950 5.756 50 10 JKGE CC(C)[C@@H](/C(O)=C(\C#N)c1nc(-c2cc(Cl)ccc2Cl)cs1)N1C(=O)c2ccccc2C1=O 1872758055 JEFGONPNROHJSW-HOJYTFPLSA-N 498.391 6.230 50 10 JKGE Cc1ccc(COc2ccc(/C=C(\C#N)c3nc(-c4ccc([N+](=O)[O-])cc4)cs3)cc2)cc1 1872784102 CJVLWQPMOQQJCQ-HYARGMPZSA-N 453.523 6.670 50 10 JKGE O=C(c1cccc(OCc2ccccc2)c1)N(Cc1ccccc1)[C@H](CBr)C1CC1 1915311099 DJMJUIXFFIHUTM-RUZDIDTESA-N 464.403 6.082 50 10 JKGE CN(C[C@H](Cl)COCc1ccccc1)C(=O)c1cc(Br)sc1Br 1916383710 OGRYBNLCBGIRFV-LBPRGKRZSA-N 481.637 5.169 50 10 JKGE Brc1cc(Br)c([C@@H](Br)C23CC4CC(CC(C4)C2)C3)s1 1922953738 HCODJQLSWIJWGS-RHOGJADGSA-N 469.080 6.926 50 10 JKGE Clc1c(Br)sc(Br)c1[C@@H](Br)[C@@H]1CCCC2(CC2)C1 1923037809 FVXVSFKPVLNZMK-APPZFPTMSA-N 477.487 7.333 50 10 JKGE C[C@@]1([C@@H](Br)c2c(Br)sc(Br)c2Cl)CCCO1 1923067246 AAMMNTKTYGYBAS-XVKPBYJWSA-N 453.421 5.932 50 10 JKGE Fc1cccc(F)c1C[C@H](Br)c1c(Br)sc(Br)c1Cl 1923067427 CHVNHVGMZKPJCT-LURJTMIESA-N 495.408 6.883 50 10 JKGE Clc1c(Br)sc(Br)c1[C@H](Br)[C@@H]1C[C@H]2CC[C@H]1C2 1923071364 IJMYBYSSDMQSNN-XZMZPDFPSA-N 463.460 6.799 50 10 JKGE Cc1cc(Br)c([C@H](Br)Cc2ccncc2Br)cc1Cl 1924056883 QJURQRLYMJJQKN-GFCCVEGCSA-N 468.414 6.247 50 10 JKGE Cc1ccc([C@H](Cl)c2c(Br)sc(Br)c2Br)cc1Cl 1924592536 ZYAULVVAMUWGCK-JTQLQIEISA-N 493.873 7.326 50 10 JKGE CCOC1CC([C@H](Cl)c2c(Br)sc(Br)c2Br)C1 1924616586 QPLOGNXBMLQCHJ-BIFUPNIPSA-N 467.448 6.131 50 10 JKGE Cn1nc([C@@H](Br)c2cc(Br)sc2Br)cc1Br 1937822395 YHVGGNRYTMOKFN-QMMMGPOBSA-N 493.844 5.253 50 10 JKGE Cc1cc(Br)sc1[C@@H](Cl)c1scc(Br)c1Br 1939448959 DVQBENHEGQWJTD-MRVPVSSYSA-N 465.457 6.734 50 10 JKGE CCOc1ccc([C@@H](Br)c2csc(Br)c2Br)cc1 2032958535 GFTAVEVXUVCUMO-LLVKDONJSA-N 455.009 6.156 50 10 JKGE Cl[C@H](c1cc(C2CC2)c(Br)s1)c1csc(Br)c1Br 2033618610 HCGFZUNPJNGUOV-JTQLQIEISA-N 491.495 7.303 50 10 JKGE Cc1sc(Br)c([C@H](Cl)c2cccc(Br)c2Br)c1C 2082870073 DOYOHZYWCYDKRI-GFCCVEGCSA-N 473.455 6.981 50 10 JKGE Cc1sc(C)c([C@@H](Cl)c2ccc(Br)cc2I)c1C 2086153900 PENOASXHOKHSTR-AWEZNQCLSA-N 455.586 6.369 50 10 JKGE C[C@@H]1Cc2cc([C@H](Br)c3ccc(Br)s3)cc(Br)c2O1 2090466295 DJPIVOKFCLRULZ-UHLUBPPHSA-N 467.020 6.081 50 10 JKGE Fc1cccc(Cl)c1C[C@H](Br)c1cccc(Br)c1Br 2092336203 VHOXFDGERLXMCF-NSHDSACASA-N 471.389 6.683 50 10 JKGE Cn1nc([C@@H](Br)c2cc(Cl)c(Br)cc2F)c(Cl)c1Cl 2094340354 WSHRNTYCLNYCJU-QMMMGPOBSA-N 451.348 5.766 50 10 JKGE Fc1cc(Cl)c(Br)cc1[C@H](Cl)c1cc(Cl)ccc1I 2097834874 OLERQWQUERULHQ-ZDUSSCGKSA-N 494.356 6.828 50 10 JKGE FC1(F)C[C@]12CC[C@@H]([C@H](Br)c1c(Cl)sc(Br)c1Cl)C2 2099914138 CZEVIRANKPJUSM-RFXQIHQISA-N 454.989 7.079 50 10 JKGE BrC[C@@H]1C[C@@H]2CCC[C@@H]2N1Cc1c(Br)cccc1Br 2108394581 PEMLHYWMVPIFMF-PGUXBMHVSA-N 452.028 5.350 50 10 JKGE C[C@H]1CN(Cc2ccccc2)C[C@@H](C)N(c2cc(Br)cc(F)c2CBr)C1 2114268357 XNBHMBHCPCJELF-JKSUJKDBSA-N 484.251 5.830 50 10 JKGE Clc1nc(Cl)n([C@@H]2CN(Cc3ccccc3)C3(CCOCC3)C2)c1CBr 2118821281 UKCWMLWTSITVFA-HNNXBMFYSA-N 459.215 5.081 50 10 JKGE Cc1cc(Br)c(C)c([C@@H](Br)C2CC3(CCC3)C2)c1Br 2136366693 KMMBDOYFUFISOR-HNNXBMFYSA-N 451.040 6.845 50 10 JKGE Cc1cc(Br)c(C)c([C@H](Cl)c2cnn(C)c2Br)c1Br 2136378272 CFIYCLJNCFAJLY-GFCCVEGCSA-N 471.418 5.653 50 10 JKGE C[C@H](Cl)c1nc2cc(I)ccc2n1CCc1nccn1Cc1ccccc1 2146217612 NZVTWGWBKWLMHL-HNNXBMFYSA-N 490.776 5.428 50 10 JKGE CN(c1c(CCl)ccc(Br)c1Cl)[C@H]1C[C@@H]2CC[C@H](C1)N2Cc1ccccc1 2154374455 XBIDQFOQYZODFG-REPLKXPHSA-N 468.266 6.473 50 10 JKGE CCc1cc([C@H](Br)c2cc(Br)cc(Br)c2)c(F)cc1F 2175373347 HIASSPLZFIQSHV-OAHLLOKOSA-N 468.961 6.537 50 10 JKGE O=C(c1cc(Cl)cc(C(F)(F)F)c1)N(Cc1ccccc1)[C@H](CBr)C1CC1 2200838183 YCJHWBAOIGRCCI-GOSISDBHSA-N 460.721 6.175 50 10 JKGE CC[C@@H](CC(F)(F)F)[C@H](Br)c1c(C)c(Br)cc(C)c1Br 2201061795 IHNSRQBTNRTRCD-ZANVPECISA-N 480.988 7.243 50 10 JKGE COc1cccc(C[C@@H](Br)c2ccc(Br)c(C)c2Br)c1 2203689893 ZVBYRRLSGPEJCP-OAHLLOKOSA-N 463.007 6.207 50 10 JKGE Cc1csc([C@H](Br)c2c(Br)cc(C)c(Br)c2C)c1 2220152746 HTSJWWSDMJHZSQ-AWEZNQCLSA-N 453.037 6.683 50 10 JKGE Cc1cc(Br)c([C@H](Cl)c2ccc(Br)s2)c(C)c1Br 2220158840 XOKZRIRXDPHWAR-CYBMUJFWSA-N 473.455 6.981 50 10 JKGE Cc1sc([C@@H](Cl)c2ccc(Br)cc2Br)c(Br)c1C 2221835387 IHZKUZVYNQKDFR-LBPRGKRZSA-N 473.455 6.981 50 10 JKGE O=S1(=O)CC[C@H]([C@H](Br)c2c(Br)cc(Cl)c(Cl)c2Cl)C1 2224303700 YXPBUPQPJFHKAV-CDUCUWFYSA-N 471.425 5.280 50 10 JKGE FC(F)(F)CCCCO[C@H](CI)c1cccc(Br)c1 2230094261 JOAMHBGAFUJGFW-GFCCVEGCSA-N 451.064 5.674 50 10 JKGE Cc1ccc(I)c([C@H](Br)c2cc(Cl)c(C)cc2F)c1 2232220923 YGHJRUCTRBSJCJ-OAHLLOKOSA-N 453.520 6.185 50 10 JKGE Cc1ccc(Br)cc1[C@@H](Cl)c1c(Br)cc(Cl)c(Cl)c1Cl 2232514098 SWAUNKLXZRVYIY-GFCCVEGCSA-N 477.838 7.808 50 10 JKGE Cc1cc(Br)c([C@@H](Br)c2ccc(Cl)c(Cl)c2)c(C)c1Cl 2232530767 VCSYQFAHAXOFTG-AWEZNQCLSA-N 457.420 7.510 50 10 JKGE CCOc1cc(Cl)c([C@@H](Br)c2cc(Br)c(C)s2)cc1Cl 2234473368 FAOBDMTUMNJICW-CQSZACIVSA-N 459.030 7.009 50 10 JKGE Fc1cc(Br)c(F)c(Br)c1[C@@H](Cl)c1cc(Br)cs1 2260068416 PRFPNRIYYFVQJU-JTQLQIEISA-N 481.381 6.642 50 10 JKGE COc1c(Br)cc(Cl)cc1[C@H](Br)c1csnc1Br 2263451651 ZRRXVQUWPLVNMA-VIFPVBQESA-N 476.415 5.814 50 10 JKGE Cl[C@@H](c1cc2sc(Br)cc2s1)c1ccccc1I 2263621440 VTWMJWYOEAZRAT-CYBMUJFWSA-N 469.594 6.658 50 10 JKGE CN(Cc1ccc(I)cc1)c1cc(Br)ccc1CBr 2265605888 VGSHDICEECCGBD-UHFFFAOYSA-N 494.996 5.585 50 10 JKGE Cc1nscc1C(C#N)=C(Cl)c1ccc(I)c(Br)c1 2271411107 GJNRHWSPLXJICV-UHFFFAOYSA-N 465.541 5.449 50 10 JKGE COc1cc(C)c([C@H](Br)c2csc(I)c2)c(OC)c1 2271499308 BZUGDLGZUPWYLX-CQSZACIVSA-N 453.139 5.163 50 10 JKGE FC(F)(F)c1ccc([C@H](Br)c2c(Cl)sc(Br)c2Cl)s1 2277704393 AVSMXVDUONGXGC-LURJTMIESA-N 474.976 7.382 50 10 JKGE Brc1cc(Br)cc(C[C@H](Br)[C@]23CCC[C@@H]2OCC3)c1 2277962977 OGAFEMNVCFSWOK-SOUVJXGZSA-N 453.012 5.477 50 10 JKGE COc1ccc([C@H](Br)c2cc(Cl)ccc2OC)cc1I 2284996521 AVFWHTIQUWTTAZ-HNNXBMFYSA-N 467.528 5.446 50 10 JKGE CS(=O)(=O)[C@H]1C[C@H]([C@@H](Br)c2c(Br)cc(Cl)c(Cl)c2Cl)C1 2285276750 YEQPWJSWIZHUJS-OXOINMOOSA-N 485.452 5.669 50 10 JKGE C=CC[C@@]1(CBr)CCCN(C(=O)c2csc(Br)c2Br)C1 2287762265 AEKIGXKMUPMRGN-AWEZNQCLSA-N 486.067 5.467 50 10 JKGE COc1cccc([C@H](Br)Cc2cc(Br)cc(Br)c2)c1C 2295345636 OJKYPUFAFAIRKW-OAHLLOKOSA-N 463.007 6.207 50 10 JKGE CCOc1cc(C=C(C#N)C(=O)Nc2ccccc2C(=O)OC)ccc1OCc1ccccc1Cl 2295459711 PSIHFUMLLWXROT-UHFFFAOYSA-N 490.943 5.650 50 10 JKGE CCc1c(C)sc(NC(=O)C(C#N)=Cc2cn(-c3ccccc3)nc2-c2ccccc2)c1C#N 2295635816 PFWONJCWDREWDG-UHFFFAOYSA-N 463.566 5.889 50 10 JKGE N#CC(=CNc1ccccc1Cl)c1nc(-c2cc3cc([N+](=O)[O-])ccc3oc2=O)cs1 2295891550 KFSZJAFMSDMZJN-UHFFFAOYSA-N 450.863 5.455 50 10 JKGE CSc1cccc(NC(SCc2ccc(F)cc2)=C(C#N)S(=O)(=O)c2ccccc2)c1 2297350011 LPALNBLNTOOHOI-UHFFFAOYSA-N 470.616 6.059 50 10 JKGE CCOC(=O)c1ccsc1NC(=O)C(C#N)=Cc1ccc(OC(=O)Nc2ccccc2)c(OC)c1 2297616715 FTAPQLKZRATEMF-UHFFFAOYSA-N 491.525 5.090 50 10 JKGE C[C@@H](CC(F)(F)F)[C@@H](Br)c1cc(Br)ccc1OCc1ccccc1 2299502811 ZVFNJAMKOQJPEC-YVEFUNNKSA-N 466.135 7.053 50 10 JKGE CCC(C)(C)[C@H](Br)c1c(Cl)cc(Br)c(F)c1Br 2300178580 KABPUDJOMADMPM-LLVKDONJSA-N 451.399 6.876 50 10 JKGE Brc1cc(C[C@@H]2CCCCC[C@@H]2Br)ccc1I 2306215979 AHLYQUMYEIJKEN-RYUDHWBXSA-N 472.002 5.940 50 10 JKGE Fc1cc(Br)c(F)c(Br)c1[C@@H](Br)[C@@H]1C[C@H]1C(F)F 2313253728 HIRSTVNMQSVQCP-ZFSUVSKUSA-N 454.881 5.827 50 10 JKGE Cc1ccc(NC(=O)C(C#N)=Cc2cc(C)n(-c3cccc(I)c3)c2C)cc1 2313567474 IEAPLASRNDDHCF-UHFFFAOYSA-N 481.337 5.553 50 10 JKGE C=CCc1cc(C=C(C#N)C(=O)Nc2cccc(Cl)c2Cl)cc(OCC)c1OCC#N 2313571332 SRRWDKXQNRVCQI-UHFFFAOYSA-N 456.329 5.569 50 10 JKGE Brc1ccc(OCc2ccccc2)c([C@H](Br)[C@@H]2CO[C@H]3COC[C@H]23)c1 2314454296 FLFLDIYMBAIFLZ-JYBIWHBTSA-N 468.185 5.126 50 10 JKGE Cc1cc(Cl)ccc1[C@@H](Br)c1cc(Br)ccc1OCc1ccccc1 2314486155 DFXIQYJDNSTBOP-OAQYLSRUSA-N 480.627 7.474 50 10 JKGE N#CC(=Cc1cc([N+](=O)[O-])ccc1OCC(=O)Nc1nccs1)c1nc(-c2cccs2)cs1 2314519243 FVVGBMJVNHRYQS-UHFFFAOYSA-N 495.567 5.318 50 10 JKGE CCN(C[C@](C)(CI)O[C@@H]1CCC2(CCCC2)C1)C(=O)OC(C)(C)C 2320508354 MNIAANLGDIWQFF-APWZRJJASA-N 465.416 5.567 50 10 JKGE Cc1cccc(C(C)C)c1NC(=O)C(C#N)=CN1CCN(C(c2ccccc2)c2ccccc2)CC1 2324285035 OREBNXTWYBZCTJ-UHFFFAOYSA-N 478.640 5.872 50 10 JKGE CCc1ccc([C@H](C)NC(=O)C(C#N)=CN2CCN(C(c3ccccc3)c3ccccc3)CC2)cc1 2325093219 REGPQZOBOFHURO-DEOSSOPVSA-N 478.640 5.241 50 10 JKGE N#CC(=CN(Cc1ccccc1)Cc1ccccc1)C(=O)Nc1ccc(Cl)c(C(F)(F)F)c1 2325383016 DWQIJAXDTUUKQG-UHFFFAOYSA-N 469.894 6.407 50 10 JKGE CCOc1cc(C=NNC(=O)[C@@H](NC(=O)OC(C)(C)C)[C@@H](C)CC)ccc1OCc1ccc(C)cc1 2328796406 PMZKUKPBCAMZJW-CPJSRVTESA-N 497.636 5.362 50 10 JKGE CCOc1cc(C(O)=C(C#N)c2nc(-c3cc(C)ccc3C)cs2)cc(OCC)c1OCC 2331319411 QAMNQYWSZSQLQW-UHFFFAOYSA-N 464.587 6.573 50 10 JKGE COc1ccc(OC)c(-c2csc(C(C#N)=C(O)c3ccc4c(c3)C(=O)N(C(C)(C)C)C4=O)n2)c1 2331325088 IMXRDKFTVYFGMY-UHFFFAOYSA-N 489.553 5.172 50 10 JKGE CC(C)C[C@H](C(O)=C(C#N)c1nc(-c2ccc(C(C)(C)C)cc2)cs1)N1C(=O)c2ccccc2C1=O 2331331585 RETGZDQNFGKUDD-XMMPIXPASA-N 499.636 6.611 50 10 JKGE CCCCCCOc1ccc(C(O)=C(C#N)c2nc(-c3cccc4ccccc34)cs2)cc1 2331339286 VBIMQRMIUMBEAF-UHFFFAOYSA-N 454.595 7.872 50 10 JKGE CCCCCCCOc1ccc(-c2csc(C(C#N)=C(O)C=Cc3ccc(Cl)cc3)n2)cc1 2331345405 IOPHAGYXTLSMDY-UHFFFAOYSA-N 479.045 8.319 50 10 JKGE COc1cc(C)c(-c2csc(C(C#N)=C(O)c3cc([N+](=O)[O-])ccc3Cl)n2)cc1C(C)C 2331358490 CURCEUMHOXZQRQ-UHFFFAOYSA-N 469.950 6.762 50 10 JKGE COc1ccc(-c2csc(C(C#N)=C(O)c3c(Cl)ccc(Cl)c3Cl)n2)c(C)c1C 2331362751 KUOANEUVRJOINO-UHFFFAOYSA-N 465.789 7.346 50 10 JKGE Cc1cc(C)c(C)c(-c2csc(C(C#N)=C(O)CNC(=O)c3ccc(Cl)cc3)n2)c1C 2331364752 UMIWOHGCVZKNEX-UHFFFAOYSA-N 451.979 5.920 50 10 JKGE COc1c(Cl)cc(-c2csc(C(C#N)=C(O)c3ccccc3Br)n2)cc1Cl 2331396624 WBKRFJDUFWVRFD-UHFFFAOYSA-N 482.186 6.838 50 10 JKGE Cc1ccc(C(C)(C)C)cc1-c1csc(C(C#N)=C(O)[C@H](C)Oc2ccc(Cl)cc2Cl)n1 2331397099 IGLGUCIUBAEGIM-HNNXBMFYSA-N 487.452 7.983 50 10 JKGE N#CC(=Cc1ccc(OCc2ccc(Cl)cc2)cc1)c1nc(-c2c[nH]c3ccccc23)cs1 2331460177 VEFCMYQUDFZVNL-UHFFFAOYSA-N 467.981 7.588 50 10 JKGE Cc1c(Br)ccc([C@@H](Br)[C@@H]2CC[C@@H]3[C@H]2C3(F)F)c1Br 2333145725 BMAWVRWMJQWGQR-RJSZZUFXSA-N 458.966 6.247 50 10 JKGE Cc1cc(Br)c([C@H](Br)[C@@H]2C[C@H]3CC[C@@H]2C3)c(C)c1Br 2334621635 XNLXNAGJEJSBHH-XSUJLISDSA-N 451.040 6.701 50 10 JKGE Cn1ncc([C@H](Cl)c2c(F)cc(Cl)c(Br)c2Cl)c1I 2335301544 HYTRUFNDSFEGOE-VIFPVBQESA-N 498.348 5.561 50 10 JKGE COc1cc([C@H](Br)c2ccc(OCc3ccccc3)cc2Br)ccc1C 2336051229 QGCLZKKDQQPKQO-QFIPXVFZSA-N 476.208 6.829 50 10 JKGE Fc1c(Br)cc(Cl)c([C@H](Br)CC(F)(F)C(F)F)c1Br 2337096954 JPBNFGRKMVHOMC-SCSAIBSYSA-N 495.305 6.731 50 10 JKGE Cc1cc(Br)c([C@@H](Br)c2c(Br)ncn2C)c(C)c1Cl 2337273628 CDYDOANVEANCKM-SNVBAGLBSA-N 471.418 5.700 50 10 JKGE Cc1cc(Br)c(F)c(Br)c1[C@@H](Br)C12COCC(C1)C2 2339648786 OSDLGKXYJOKODZ-FEUBCLPYSA-N 456.975 5.522 50 10 JKGE Cc1cc(Cl)c([C@H](Br)c2ccc(Cl)cc2I)cc1C 2340061066 JWFJORPNEKZINL-OAHLLOKOSA-N 469.975 6.699 50 10 JKGE Cc1cc(Br)c([C@H](Br)C[C@@H]2CC[C@H]2C2CC2)cc1Br 2342184493 FPJICYPCXNPPGC-MQIPJXDCSA-N 451.040 6.782 50 10 JKGE CC[C@H](Cl)[C@H]1CCCCN1Cc1ccc(I)c(Br)c1 2349829428 NZRBMEPDZHDPHN-DZGCQCFKSA-N 456.593 5.426 50 10 JKGE Cc1cc(Br)c([C@H](Br)[C@@H]2[C@@H]3[C@H]2CCC3(F)F)c(C)c1Br 2358672870 DLLMFTAOTAQTGU-FNYBSCSFSA-N 472.993 6.556 50 10 JKGE FC(F)(F)c1ccccc1[C@H](Cl)c1cc(Br)ccc1OCc1ccccc1 2361178523 OQXNCFHWQKSPAP-FQEVSTJZSA-N 455.701 7.375 50 10 JKGE Cc1c(F)cccc1[C@H](Br)c1c(Cl)cc(Br)c(F)c1Br 2362221048 UOWNKXXNOBVCDX-LBPRGKRZSA-N 489.379 6.936 50 10 JKGE Fc1c(Br)cc(Cl)c([C@H](Br)CC[C@H]2CCCCO2)c1Br 2362253786 JZTGUHUNBAINOZ-RKDXNWHRSA-N 493.436 6.789 50 10 JKGE C[C@@]12CN(Cc3ccccc3)C[C@]1(C)CN(c1cc(Cl)c(F)cc1CBr)C2 2362384961 FJCAVKDQKMZRLH-SZPZYZBQSA-N 451.811 5.722 50 10 JKGE CCCCc1ccc([C@H](Br)c2c(Br)c(Br)nn2C)cc1 2364063288 HTAFIMHLUHQZFM-LBPRGKRZSA-N 465.027 5.772 50 10 JKGE FC1(F)[C@H]2CCC[C@@H]1C[C@H]([C@H](Cl)c1sc(Cl)cc1I)C2 2364120726 ZKNSXMRNLOXDPV-NHRVJRKFSA-N 451.147 6.748 50 10 JKGE COc1c(Br)cc(C)c([C@H](Br)[C@]23C[C@@H](OC)[C@@H]2C3)c1Br 2365191259 MMYJSSDGRMFWBA-LLQQRXHISA-N 469.011 5.390 50 10 JKGE COc1c(Br)cc(C)c([C@@H](Br)[C@H]2C[C@H]3CC[C@H]2O3)c1Br 2365234762 KAFFEEHEYFWBFK-PFWNZEGQSA-N 469.011 5.532 50 10 JKGE C[C@H](Cl)CC1C[C@@H]2CC[C@H](C1)N2c1ncc(I)cc1Br 2366973551 SDMNBTKGQDSSNU-FZMOHWGLSA-N 469.592 5.214 50 10 JKGE CC(C)(C)OC(=O)N1C[C@H](I)[C@H](OC[C@H](c2ccccc2)C2CCCC2)C1 2368354201 LFSQTTNCMDDIGM-HSALFYBXSA-N 485.406 5.400 50 10 JKGE C[C@@H]1CC[C@@H](C(C)(C)Cc2ccc(I)c(Br)c2)[C@@H](Cl)C1 2377295463 SRYAZVYYEIRUPK-KYOSRNDESA-N 469.632 6.666 50 10 JKGE CC(C)C[C@H](CBr)CN1CC[C@H](C(F)(F)F)C[C@@H]1CNC(=O)OC(C)(C)C 2382175683 ISFMOHDBXIERPU-OWCLPIDISA-N 459.391 5.211 50 10 JKGE CC(C)CCOc1ccc(Br)cc1C(=O)NNC(=O)C(c1ccccc1)c1ccccc1 14650701 FXFOTLBIVZQNRM-UHFFFAOYSA-N 495.417 5.467 50 10 JKGE N#C/C(=C/c1ccc(OCc2ccccc2C#N)c(Br)c1)C(=O)Nc1ccc(F)cc1 33923359 IVIAJMWVECYCLV-ODLFYWEKSA-N 476.305 5.585 50 10 JKGE O=C(C1CCCCC1)N(/N=C/c1ccc([N+](=O)[O-])o1)c1nc2ccc(Br)cc2s1 35565428 KESBAZGKSNDGET-SRZZPIQSSA-N 477.340 5.507 50 10 JKGE N#CC1=C(N)Oc2cc(OC(=O)Cc3ccccc3)ccc2[C@H]1c1ccc(Cl)c(Cl)c1 38656104 AGCOACUOBRYEIA-HSZRJFAPSA-N 451.309 5.360 50 10 JKGE CCOc1c(Cl)cc(C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@@H]3c2cccs2)cc1Cl 38656486 YQYJMFYPDSEXMP-HXUWFJFHSA-N 487.364 5.891 50 10 JKGE C=CCOc1ccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)[C@H](C)Oc4ccc(CC)cc4)ccc32)cc1 38658248 SLOOPOKZBMWURI-VKGTZQKMSA-N 496.563 5.405 50 10 JKGE N#CC1=C(N)Oc2cc(OC(=O)COc3ccccc3Cl)ccc2[C@H]1c1c(F)cccc1Cl 38680354 LWOBRROBDCOVQO-JOCHJYFZSA-N 485.298 5.335 50 10 JKGE CCCCCOc1ccccc1[C@H]1C(C#N)=C(N)Oc2cc(OC(=O)c3ccccc3F)ccc21 38686182 IKXDGSOYFCIOHX-AREMUKBSSA-N 472.516 5.832 50 10 JKGE N#CC1=C(N)Oc2cc(OC(=O)c3sc4ccccc4c3Cl)ccc2[C@H]1c1ccccc1F 38687919 OWNBRHKXAGSDRR-OAQYLSRUSA-N 476.916 6.131 50 10 JKGE CCCCCCOc1ccc(/C=C(C#N)/C(O)=N/c2nnc(SCCC)s2)cc1OC 39994984 BKNVDZVRXTVYAF-GHRIWEEISA-N 460.625 6.203 50 10 JKGE CCCCc1ccc(Nc2ncnc(NNC(=O)c3ccc(Cl)cc3Cl)c2[N+](=O)[O-])cc1 40581300 RJKJNHRYUFGSIN-UHFFFAOYSA-N 475.336 5.535 50 10 JKGE Cc1ccc(C(=O)N/N=C2\CCCc3oc(C(=O)Nc4ccc(C)cc4Br)c(C)c32)cc1 40804793 OUMBQQPRPKJBII-VFCFBJKWSA-N 494.389 5.690 50 10 JKGE Cc1c(C(=O)Nc2ccc(Cl)cc2Cl)oc2c1/C(=N/NC(=O)c1ccccn1)CCC2 40814238 QVUBLZMIEUPKOI-JVWAILMASA-N 457.317 5.013 50 10 JKGE CCOC(=O)c1c(NC(=O)N/N=C/c2cccc(OCc3ccccc3)c2)sc(C(C)=O)c1C 40847036 SMCKTDGOBFVMOS-VULFUBBASA-N 479.558 5.170 50 10 JKGE CN(c1ccccc1)c1ccc(/C=N/NC(=O)COc2ccc(C(C)(C)c3ccccc3)cc2)cc1 59148346 JRQJHGPZBONGAX-WEMUVCOSSA-N 477.608 6.310 50 10 JKGE COC(=O)c1cccc(Cn2cc(/C=C(\C#N)C(=O)Nc3ccc(C)cc3C)c3ccccc32)c1 59201889 WCQBGZZTNOQKDN-HZHRSRAPSA-N 463.537 5.639 50 10 JKGE CCN(Cc1ccccc1)c1ccc(/C=C(/C#N)c2nc3sc4c(c3c(=O)[nH]2)CC[C@H](C)C4)cc1 95949638 INTAMBBWVKNYTJ-ODENVGOISA-N 480.637 6.200 50 10 JKGE Cl[C@@H]1C[C@H](Oc2c(Br)cc(Br)cc2Br)C12CCCC2 97646573 VVNDJDFDPXZHJQ-NEPJUHHUSA-N 473.430 6.293 50 10 JKGE O=C(C[P+](c1ccccc1)(c1ccccc1)c1ccccc1)OC(c1ccccc1)c1ccccc1 97976225 WEGOVROKHJOIHN-UHFFFAOYSA-N 487.559 6.313 50 10 JKGE CCc1ccc(N2C(=O)[C@H](Cc3ccccc3F)S/C2=C(/C#N)C(=O)N[C@@H](C)c2ccccc2)cc1 101242909 IHNIYADEBSZMPF-SNFXUIRRSA-N 499.611 5.692 50 10 JKGE COc1ccc([C@H](Br)c2cc(Br)sc2C)cc1Br 115223062 MRDKPUYWTLHMQX-ZDUSSCGKSA-N 455.009 6.074 50 10 JKGE CCc1ccc(CC(CBr)(CBr)c2ccc(Br)cc2)s1 118878593 ZPKYUBLGNWMVIG-UHFFFAOYSA-N 481.091 6.343 50 10 JKGE Fc1cc2c(cc1Br)nc(CCl)n2-c1cc(Cl)ccc1Br 125843697 XNUDUUBPCHRXKD-UHFFFAOYSA-N 452.936 6.082 50 10 JKGE Clc1ccccc1[C@H](CI)OCc1ccccc1Br 162559218 FCIJCYHNZCZXNR-HNNXBMFYSA-N 451.529 5.795 50 10 JKGE CCOc1ccc(/C=N\NC(=O)c2ccc3[nH]c4c(c3c2)C[C@@H](C)CC4)cc1Br 169891340 FDAOVLRUIOKOMW-IDFPFIHXSA-N 454.368 5.218 50 10 JKGE CCCCCCCCOc1ccc(/C=C2\C(=O)N(Cc3ccco3)C(=O)C(C#N)=C2C)cc1OC 214320034 ANFGPNATKCSBCK-KQWNVCNZSA-N 476.573 5.820 50 10 JKGE CCOc1cc(/C=C2\C(=O)N(C3CCCC3)C(=O)C(C#N)=C2C)ccc1OCc1ccccc1 214361414 BUWCMXFPAPYBMF-HAHDFKILSA-N 456.542 5.199 50 10 JKGE CC[C@@H](NC(=O)/C(C#N)=C\NCc1ccccc1Br)c1ccc2c(c1)CCCC2 217193096 LVDHHSUYRIQWLA-LHBRDVBXSA-N 452.396 5.092 50 10 JKGE COc1ccc(C=NNC(=O)COc2ccc(Cl)cc2)cc1COc1cccc2cccnc12 252630078 UUCCZZUOSUACCE-UHFFFAOYSA-N 475.932 5.005 50 10 JKGE Cc1ccc(-c2nnc(SCC(=O)NN=C/C=C/c3ccccc3)n2-c2ccc(C)cc2)cc1 254301001 YNCHUQRHMXGLBF-YZBVLJPJSA-N 467.598 5.459 50 10 JKGE Cc1ccc2c(CC(=O)OCC(=O)N(N=Cc3ccccc3)c3cccc(C(F)(F)F)c3)coc2c1 254757198 DTHWWFQGBGAVAN-UHFFFAOYSA-N 494.469 5.913 50 10 JKGE Cc1ccc2nc(-c3ccc(OC(C)C)cc3)cc(C(=O)NN=Cc3ccc(O)c(O)c3)c2c1 254764842 PJOPWVTULAZKIH-UHFFFAOYSA-N 455.514 5.173 50 10 JKGE CCCCOc1ccc(C(=O)Oc2ccc(C=NNC(=O)COc3ccc(C(C)C)cc3)cc2)cc1 254876453 YULXZACVOGOFQJ-UHFFFAOYSA-N 488.584 5.737 50 10 JKGE C[C@@H](COc1c(Br)cc(Br)cc1CBr)C1CCCCC1 312438908 SUEWSKZGAQLUTF-NSHDSACASA-N 469.055 6.702 50 10 JKGE Cn1ncc([C@@H](Br)c2scc(C(F)(F)F)c2Br)c1Br 379221734 UBDJIGQZAZGKAB-ZCFIWIBFSA-N 482.945 5.510 50 10 JKGE CC(C)(C)OC(=O)N1C[C@H](CI)[C@H](c2c(Cl)cccc2Cl)C1 394770111 FHLMJGJONCMOTK-WDEREUQCSA-N 456.151 5.379 50 10 JKGE CCOc1ccc([C@@H](Br)c2cc(Br)oc2C)cc1Br 396499289 QDQYDDPOWYHICI-CQSZACIVSA-N 452.968 5.996 50 10 JKGE Cc1nc(CC(CBr)(CBr)c2ccccc2Br)c(C)s1 692520159 RKWRNVGSPBKFCP-UHFFFAOYSA-N 482.079 5.793 50 10 JKGE CC[C@@H](C)c1ccc([C@@H](Cl)c2ccc(I)c(Br)c2)cc1 721573782 SCQUUALZCIMXIE-PIGZYNQJSA-N 463.584 6.895 50 10 JKGE O=C(NN=Cc1c(Cl)cccc1Cl)c1ccc(CN2CCN(Cc3ccccc3)CC2)cc1 1084058509 TUNLGZAUZQGUKO-UHFFFAOYSA-N 481.427 5.075 50 10 JKGE CCOc1cc(/C=C(\C#N)C(=O)Nc2cccc(Cl)c2Cl)c(Br)cc1OC 1084282642 NLPBCLCNZUXCOL-KPKJPENVSA-N 470.150 5.709 50 10 JKGE CC(=NNC(=O)COc1ccc(C(C)C)cc1Br)C(c1ccccc1)c1ccccc1 1084375220 JVJADGKQJPQWIQ-UHFFFAOYSA-N 479.418 6.276 50 10 JKGE O=C(CSc1nc2ccccc2[nH]1)NN=Cc1ccccc1OCc1c(F)cccc1Cl 1772760451 NPLYAOOFLOXEJY-UHFFFAOYSA-N 468.941 5.177 50 10 JKGE CCCOc1cccc([C@@H]2C(C#N)=C(N)Oc3c2c(C(F)(F)F)nn3Cc2cccc(Cl)c2)c1 1865692358 BALWXHOXYGSQMQ-LJQANCHMSA-N 488.897 5.611 50 10 JKGE CCCc1nn(-c2ccc(Cl)cc2)c2c1[C@@H](c1cccc(OC)c1OCC)C(C#N)=C(N)O2 1865693124 LLJFPMPPPBZVFD-NRFANRHFSA-N 464.953 5.104 50 10 JKGE Cn1cccc1[C@@H]1C(C#N)=C(N)Oc2c1c(-c1ccccc1)nn2-c1ccc(Cl)c(Cl)c1 1865698688 AKLBZGZOXPMCOJ-FQEVSTJZSA-N 462.340 5.403 50 10 JKGE N#CC1=C(N)Oc2c(c(-c3ccccc3)nn2Cc2c(F)cccc2Cl)[C@H]1c1ccccn1 1865700399 RVAHLMRWZDOIAY-OAQYLSRUSA-N 457.896 5.004 50 10 JKGE CCCc1nn(Cc2ccc(C)cc2)c2c1[C@@H](c1cc(Br)ccc1F)C(C#N)=C(N)O2 1865702491 WBTKHMLEPRPTJU-NRFANRHFSA-N 481.369 5.312 50 10 JKGE CCCC[C@H](NC(=O)CCc1nc(-c2ccc(F)cc2)cs1)C(=O)Nc1ccc(SC#N)cc1 1867069712 BADCPYMBTWOFOA-NRFANRHFSA-N 496.633 5.769 50 10 JKGE COc1ccc(-c2csc(/C(C#N)=C(\O)[C@H]3CC(=O)N([C@@H](C)c4ccccc4)C3)n2)cc1OC 1872745412 LXLJEKFQLIYHCQ-PTQDJSQFSA-N 475.570 5.230 50 10 JKGE CSCC[C@@H](/C(O)=C(\C#N)c1nc(-c2cccc(Cl)c2)cs1)N1C(=O)c2ccccc2C1=O 1872748399 VVHFUEHZNGTWOI-HUZQBFDWSA-N 496.013 5.674 50 10 JKGE COc1ccc(-c2csc(/C(C#N)=C(\O)c3ccc4nc(C)c(C)nc4c3)n2)c(OC)c1OC 1872759488 QEUQKOBGVZPDDD-XLNRJJMWSA-N 474.542 5.346 50 10 JKGE CCOc1cc(/C=C(\C#N)c2nc(-c3ccc(OC)cc3OC)cs2)cc(Br)c1O 1872793670 MKCLZYMDQFLMPC-VGOFMYFVSA-N 487.375 5.758 50 10 JKGE CC[C@@H](C)N1C(=O)c2ccc(/C(O)=C(\C#N)c3nc(-c4ccc(F)cc4F)cs3)cc2C1=O 1872818010 IHIMGLAEDGCRAY-ACHDJDMMSA-N 465.481 5.433 50 10 JKGE CCOc1cc(/C=N/NC(=O)[C@@H]2CCCN(C(=O)OC(C)(C)C)C2)ccc1OCc1ccc(C)cc1 1873499445 WAQJLKHPIAPSSF-BGEOKWEGSA-N 495.620 5.070 50 10 JKGE C[C@@H](c1cccs1)N(Cc1ccccc1)c1ccc(Br)cc1CBr 1914894593 JDCDJKDBVUOVMO-HNNXBMFYSA-N 465.254 7.173 50 10 JKGE O=C(c1ccc(I)c(Cl)c1)N(Cc1ccccc1)[C@H](CCl)C1CC1 1915159916 UQPCSBUYCHHHHT-GOSISDBHSA-N 474.169 5.604 50 10 JKGE Cc1c(F)cccc1[C@@H](Br)c1sc(Br)c(C)c1Br 1922894669 NDRVPCGEBIYEDO-LLVKDONJSA-N 457.000 6.513 50 10 JKGE CSc1ccccc1[C@H](Br)c1sc(Br)cc1Br 1922935632 RMNSPUNAUFYQTH-NSHDSACASA-N 457.050 6.479 50 10 JKGE Cc1c(Br)sc([C@H](Br)C2[C@@H]3[C@H]4CC[C@@H](C4)[C@@H]23)c1Br 1922945374 FSHLKVJLBBDMRG-PSOCLEGRSA-N 455.053 6.310 50 10 JKGE Brc1sc(Br)c([C@@H](Br)[C@H]2CCOC2)c1Br 1924576185 KYUMPEHAPSGUCG-NJGYIYPDSA-N 483.845 5.508 50 10 JKGE Cc1cc(Br)c([C@@H](Br)Cc2ncccc2Br)cc1Cl 1924856398 UIKYPZQWUALNIO-LBPRGKRZSA-N 468.414 6.247 50 10 JKGE Cl[C@@H](c1c(Br)sc(Br)c1Br)[C@@H]1CC2(CC2)CO1 2001646586 MQWPCVLCUFKVFV-YLWLKBPMSA-N 465.432 5.885 50 10 JKGE Fc1cc(Br)c([C@H](Br)[C@H]2C[C@H](Br)C2)c(F)c1Cl 2023377405 LVMXYFGYOMBFBQ-UDJQAZALSA-N 453.346 5.990 50 10 JKGE COc1cc(Br)c(C)cc1[C@@H](Br)c1sncc1Br 2029250564 AHKXXDHRMQWWBY-LLVKDONJSA-N 455.997 5.469 50 10 JKGE FC1(F)[C@H]2C[C@@H]([C@H](Br)c3cc(Br)sc3Br)CC[C@H]21 2030334699 VSXQBQLTMUZVDH-WXKLWKFWSA-N 464.995 6.391 50 10 JKGE Fc1ccc([C@H](Br)c2cc(Br)c(Cl)s2)c(F)c1Br 2052441226 DVOUIWSILWBNSO-QMMMGPOBSA-N 481.381 6.689 50 10 JKGE CC1(C)CC[C@H](NCCSSCCNC(=O)OC(C)(C)C)[C@H](CNC(=O)OC(C)(C)C)C1 2061269955 INZIYBPWRHBQKH-ROUUACIJSA-N 491.764 5.202 50 10 JKGE CCC[C@H]1CC[C@H]([C@@H](Br)c2sc(Br)cc2Br)CC1 2072681814 NGJPGXFBUGDNEA-GIPNMCIBSA-N 459.085 7.316 50 10 JKGE Fc1cc(Br)cc(CBr)c1OC[C@@]1(Br)CC1(F)F 2082492403 JBQUKCLMVUWLMP-JTQLQIEISA-N 452.890 5.035 50 10 JKGE Cc1sc(Br)c([C@@H](Br)c2nn(C)c(Br)c2C)c1C 2082871161 NZCPGWFITBFEBS-SECBINFHSA-N 457.029 5.416 50 10 JKGE COc1c(Br)cc(C)cc1[C@H](Br)c1ncsc1Br 2083456974 ALXOIBCFONOMMZ-VIFPVBQESA-N 455.997 5.469 50 10 JKGE Cl[C@@H](CCc1cccc(Br)c1Br)c1ccccc1Br 2113442711 UQDJMIJPTYQJGJ-AWEZNQCLSA-N 467.426 6.887 50 10 JKGE CC1([C@H](Br)c2c(Br)sc(Br)c2Cl)CCCCCCC1 2116023410 SBJCLCDHFFPBSD-LLVKDONJSA-N 493.530 8.113 50 10 JKGE CO[C@H]1C[C@@H]([C@@H](Br)c2cc(Br)ccc2Br)C[C@H]1OC 2118265892 CVZZBNDHGLCGGB-DSMZTOPNSA-N 457.000 5.088 50 10 JKGE Clc1sc(Br)c(Cl)c1[C@H](Br)c1ccc2sncc2c1 2120657194 MTNOWHFWAJMTCK-SECBINFHSA-N 458.027 6.911 50 10 JKGE C[C@]1([C@@H](Br)c2cc(Br)ccc2Br)CCCC(F)(F)C1 2132139785 CLONDEDAZLYBLP-STQMWFEESA-N 460.982 6.863 50 10 JKGE Cc1cc(Br)c(C)c([C@H](Br)[C@@H]2[C@H]3CCCO[C@H]32)c1Br 2136377088 LRGGISSSCNVKIF-WNPSNZDDSA-N 453.012 5.689 50 10 JKGE CS(=O)(=O)c1sccc1[C@H](Br)c1ccc(Br)cc1Br 2138864367 KITRRBRJGZJZMW-LLVKDONJSA-N 489.048 5.161 50 10 JKGE Cc1cc(Br)c([C@H](Br)[C@]23CCCC[C@@H]2OCC3)cc1Br 2149061136 DPDNPJRSLRGDKH-JYJNAYRXSA-N 467.039 6.305 50 10 JKGE BrCc1ccc(N2CCc3cccc(Br)c3C2)c(Br)c1 2149905982 OYDGTOFAUXRQHA-UHFFFAOYSA-N 460.007 5.669 50 10 JKGE BrC[C@H]1CCC2(CCC2)CN1Cc1ccc(Br)cc1Br 2152060275 GTGOVZLKWGZAHA-CQSZACIVSA-N 466.055 5.741 50 10 JKGE Brc1cccc(Br)c1CC[C@@H](Br)CN1CCCCCC1 2155645115 WDAKRCXLDUGKOF-CYBMUJFWSA-N 468.071 5.784 50 10 JKGE Clc1cc([C@@H](Br)c2cc(Br)cc3c2OCCC3)sc1Cl 2156052821 XFUOXARFBLSQDK-LBPRGKRZSA-N 457.014 6.627 50 10 JKGE Fc1cc(Br)cc(N2CCC[C@H]2[C@H]2CCN(Cc3ccccc3)C2)c1CCl 2170694983 ZIYGQVGCLNPZRJ-UWJYYQICSA-N 451.811 5.818 50 10 JKGE CN(C(=O)c1ccc(I)c(Cl)c1)[C@H]1CCCCC[C@H]1Br 2172548589 VKXNUDBVMVRAEB-RISCZKNCSA-N 470.576 5.113 50 10 JKGE CCn1cc(Br)c(C[C@@H](CBr)Cc2ccc(Br)cc2)n1 2181156290 XITQDLHTNZTNNT-LBPRGKRZSA-N 465.027 5.224 50 10 JKGE CCC(CC)(CC)CO[C@@](C)(CI)c1ccccc1Br 2182258165 VQOQUGKHIQZFGW-INIZCTEOSA-N 453.202 6.332 50 10 JKGE COc1cc(Cl)c([C@@H](Cl)c2ccc(Cl)c(Br)c2)cc1Br 2202343219 DYGNHUSOYKKGIE-AWEZNQCLSA-N 459.392 6.855 50 10 JKGE CCCN[C@H](c1c(Br)cc(Cl)c(Cl)c1Cl)[C@H]1C[C@H]1Br 2224311585 QYKINBYJWJVCHX-NFNXHLSSSA-N 450.429 6.233 50 10 JKGE Cc1ccc(C)c([C@H](Br)c2cc(Br)c(Br)cc2F)c1 2225615054 CDDAPGLLDDHWQD-HNNXBMFYSA-N 450.971 6.452 50 10 JKGE Fc1cc(Br)c(Br)cc1[C@H](Br)[C@H]1C[C@@H]2CCC[C@@H]2C1 2225618633 YZQGMCNNTPLKDY-DRNSDYETSA-N 455.003 6.613 50 10 JKGE C[C@@]12CC[C@@]([C@H](Br)c3cc(Br)c(Br)cc3F)(CO1)C2 2225619837 NXELMZALYZUHIC-RDBSUJKOSA-N 456.975 5.746 50 10 JKGE Brc1cccc(Br)c1CN1C[C@@H](Br)CC12CCCC2 2232263029 RUZWONSIOPAURS-NSHDSACASA-N 452.028 5.494 50 10 JKGE FC1(F)[C@H]2CCC[C@@H]1C[C@@H]([C@@H](Br)c1sc(Br)cc1Br)C2 2233639697 NVTRHOXRGUZPPE-KZFFXBSXSA-N 493.049 7.171 50 10 JKGE COc1cccc([C@@H](Br)c2cc(Br)c(Br)cc2F)c1F 2233991285 AUHAIHVBCWEPPN-CYBMUJFWSA-N 470.933 5.983 50 10 JKGE COc1ccc([C@@H](Br)c2cc(C)c(Br)c(C)c2)c(Br)c1 2235677641 IRAWVPSGIBIJAH-INIZCTEOSA-N 463.007 6.321 50 10 JKGE Clc1ccc(I)c(CN2C[C@@H]3CCCC[C@@]3(CBr)C2)c1 2238826133 FYMHDCPZXOPDNR-XJKSGUPXSA-N 468.604 5.332 50 10 JKGE CCc1cc([C@H](Br)c2cc(C)sc2Br)sc1Br 2248005334 TYYPXULCFHSATK-SNVBAGLBSA-N 459.066 6.690 50 10 JKGE FC(F)[C@@H]1CCC[C@H]1[C@@H](Br)c1sc(Br)cc1Br 2249208890 OAZSGKQRDKFXEF-HCVRKRLWSA-N 452.984 6.391 50 10 JKGE COc1ccc([C@H](Br)c2cc(Br)oc2C)cc1I 2257367420 LUSWLVXBACXZEA-ZDUSSCGKSA-N 485.941 5.448 50 10 JKGE Cn1ncc(Cl)c1[C@@H](Br)c1c(F)cc(Br)c(F)c1Br 2272726252 LOQSYPNKLLRNMW-VIFPVBQESA-N 479.344 5.361 50 10 JKGE CCCC[C@H](CC)[C@H](Br)c1c(F)cc(Br)c(F)c1Br 2272738641 IFKFYGLZZTWVOQ-UFBFGSQYSA-N 462.998 7.142 50 10 JKGE CC1(C)CCC[C@H]1[C@@H](Br)c1c(F)cc(Br)c(F)c1Br 2272741400 UWCVEEGFUUSTSN-WRWORJQWSA-N 460.982 6.752 50 10 JKGE Cc1cc(Br)c(C)c([C@H](Br)C23COCC(C2)C3)c1Br 2273069110 FJZOZHDMGATANZ-CUMGRINNSA-N 453.012 5.691 50 10 JKGE COc1ccc(Oc2ccc(Br)cc2CBr)cc1Br 2278053951 KKIMMGMDXMHXKE-UHFFFAOYSA-N 450.952 5.907 50 10 JKGE COc1ccc([C@H](Br)c2cc(Br)c(F)cc2C)cc1Br 2285938525 DDHYIRWYZGENJD-HNNXBMFYSA-N 466.970 6.152 50 10 JKGE Fc1cc(Br)c(F)c(Br)c1[C@@H](Cl)c1cc(Cl)ccc1Cl 2288497807 YHFRTELNHJBWIG-LBPRGKRZSA-N 465.346 7.125 50 10 JKGE COc1cc(C=C(C#N)c2cccc(Br)c2)c(Br)cc1OCc1ccccc1 2293250270 HLGJDAMGYSJRPR-UHFFFAOYSA-N 499.202 6.863 50 10 JKGE Cc1cc(C)cc(OCCOc2c(Cl)cc(Cl)cc2C=C(C#N)C(=O)Nc2ccccc2)c1 2293261745 VSXREWORQMTZSR-UHFFFAOYSA-N 481.379 6.614 50 10 JKGE CC(C)Cc1ccc(-c2csc(C(C#N)=CNc3ccc4c(C(F)(F)F)cc(=O)oc4c3)n2)cc1 2295945932 YATAHZQYSRLGSW-UHFFFAOYSA-N 495.526 7.110 50 10 JKGE CCCCOc1cccc(-c2nn(-c3ccccc3)cc2C=C(C#N)c2nc3ccccc3s2)c1 2296546065 KTKFWZINODJDBZ-UHFFFAOYSA-N 476.605 7.392 50 10 JKGE N#CC(=Cc1cn(-c2ccccc2)nc1-c1cccc(OCc2ccccc2)c1)c1nc2ccccc2[nH]1 2296546172 REFKTFVOGZCTDD-UHFFFAOYSA-N 493.570 7.059 50 10 JKGE COc1cccc2cc(-c3nn(-c4ccccc4)cc3C=C(C#N)S(=O)(=O)c3ccc(C)cc3)oc12 2296722569 OUFKEWHZYIEUQN-UHFFFAOYSA-N 495.560 5.941 50 10 JKGE N#CC(C(=O)NCc1ccccc1)=C1S[C@H](Cc2ccccc2Cl)C(=O)N1c1ccc(F)cc1 2296835100 YTLAZWZDDLPCTO-HSZRJFAPSA-N 491.975 5.222 50 10 JKGE Cc1cccc(C)c1NC(SCc1ccccc1F)=C(C#N)S(=O)(=O)c1ccccc1 2297350004 LERLRXDDRXAGLY-UHFFFAOYSA-N 452.576 5.954 50 10 JKGE CCOC(=O)c1ccc(-n2c(C)cc(C=C(C#N)C(=O)Nc3ccc([N+](=O)[O-])cc3C)c2C)cc1 2297491148 CBUGUNDHNJMVTL-UHFFFAOYSA-N 472.501 5.033 50 10 JKGE CC[C@@]1([C@H](Br)c2ccc(OCc3ccccc3)cc2Br)CC1(F)F 2299525504 OLQOTLKNKHSXRY-MSOLQXFVSA-N 460.156 6.900 50 10 JKGE Brc1cc(OCc2ccccc2)ccc1[C@@H](Br)CC[C@H]1CCCO1 2299530213 KAIYCOIUAZFESH-APWZRJJASA-N 454.202 6.423 50 10 JKGE C=CCOc1c(Br)cc(C=C(C#N)C(=O)Nc2cc(C)ccc2C)cc1OCC 2313518232 XHXBDRPALNWHJQ-UHFFFAOYSA-N 455.352 5.575 50 10 JKGE N#CC(=Cc1cn(Cc2ccc(Cl)cc2Cl)c2ccccc12)C(=O)Nc1ccc(Cl)cc1 2313631063 JSABOUGILUHVBY-UHFFFAOYSA-N 480.782 7.195 50 10 JKGE CC1(C)CO[C@H](C[C@H](Br)c2cc(Br)ccc2OCc2ccccc2)C1 2314451056 BLTZPFYPLQHYLI-MJGOQNOKSA-N 468.229 6.669 50 10 JKGE COc1c(Br)cc(C)c([C@H](Cl)C2(Br)CCC2)c1Br 2317401506 ZYNBEWOZQCYTHI-LBPRGKRZSA-N 461.419 6.126 50 10 JKGE COCc1ccc([C@@H](Cl)c2c(Br)sc(Br)c2Cl)s1 2319404603 XFHJGUMXMYCSBR-MRVPVSSYSA-N 451.032 6.463 50 10 JKGE Cc1ccc(-c2c(C)sc3ncn(CC(=O)C(C#N)=C4Nc5ccccc5S4)c(=O)c23)cc1C 2320729527 BOYVDHWVIQIUJD-UHFFFAOYSA-N 484.606 5.572 50 10 JKGE COc1ccc2[nH]cc(C=NNC(=O)c3ccc(-c4ccc(Cl)cc4Cl)nc3C)c2c1 2321242349 OLIDYYBQAMZGDI-UHFFFAOYSA-N 453.329 5.618 50 10 JKGE COc1ccc(C(C)=NNC(=O)c2ccc(-c3ccc(Cl)c(Cl)c3)nc2C)cc1OC 2321281094 CDDZXWPCWFMSJM-UHFFFAOYSA-N 458.345 5.535 50 10 JKGE COC(=O)c1c(NC(=O)C(C#N)=Cc2cccc(Cl)c2)sc2c1CC[C@@H](C(C)(C)C)C2 2329687233 PZTQSNOOZGDAAJ-MRXNPFEDSA-N 456.995 5.885 50 10 JKGE FC1(F)[C@H]2C[C@H]([C@H](Cl)c3c(Br)sc(Br)c3Cl)CC[C@H]21 2329710587 VUMZDCBROIQFFS-NRFSWKIWSA-N 454.989 6.888 50 10 JKGE CCCCc1ccc(N2C[C@@H](C(O)=C(C#N)c3nc(-c4cccc(OC)c4)cs3)CC2=O)cc1 2331246787 YCYQKIZRNJDHIQ-FQEVSTJZSA-N 473.598 6.007 50 10 JKGE CCCCCCOc1ccc(C(O)=C(C#N)c2nc(-c3cccc(Br)c3)cs2)cc1 2331279391 SZNBIZRTUAHXEG-UHFFFAOYSA-N 483.431 7.482 50 10 JKGE CC(C)(C)c1ccc(-c2csc(C(C#N)=C(O)CN3C(=O)c4cccc([N+](=O)[O-])c4C3=O)n2)cc1 2331332834 SVKALGRKVMQPOX-UHFFFAOYSA-N 488.525 5.105 50 10 JKGE COc1ccc(-c2csc(C(C#N)=C(O)c3ccccc3I)n2)cc1F 2331337571 JYWJQNAGRWSRTK-UHFFFAOYSA-N 478.286 5.512 50 10 JKGE Cc1c([N+](=O)[O-])cc(C(O)=C(C#N)c2nc(-c3cccc4ccccc34)cs2)cc1[N+](=O)[O-] 2331340022 ODZQNVMLCMDSME-UHFFFAOYSA-N 458.455 6.038 50 10 JKGE COc1ccc(C(C)(C)C)cc1-c1csc(C(C#N)=C(O)CCCOc2ccc(Cl)cc2)n1 2331350713 NODZFPUSNGFQNA-UHFFFAOYSA-N 483.033 7.421 50 10 JKGE CCOc1ccccc1OCC(O)=C(C#N)c1nc(-c2cc(C(C)C)c(OC)cc2C)cs1 2331353871 GDAZNVFYRYCQNG-UHFFFAOYSA-N 464.587 6.521 50 10 JKGE CCOc1ccc(-c2csc(C(C#N)=C(O)c3ccc(Cl)c(Cl)c3)n2)c(OCC)c1 2331387044 SIIPJTWTSSQAMI-UHFFFAOYSA-N 461.370 6.864 50 10 JKGE COc1c(C)cc(Cl)cc1-c1csc(C(C#N)=C(O)c2cccc(OCC(C)C)c2)n1 2331392295 NWZMXLVDGRUWMY-UHFFFAOYSA-N 454.979 6.765 50 10 JKGE COc1ccc(Cl)cc1-c1csc(C(C#N)=C(O)Cc2ccc(Br)cc2)n1 2331408987 GITYKFGDQPVPMU-UHFFFAOYSA-N 461.768 6.270 50 10 JKGE CCCOc1c(C=C(C#N)c2nc(-c3cc(C(C)(C)C)ccc3OC)cs2)cccc1OC 2331461040 BMGKDFYNEQKISQ-UHFFFAOYSA-N 462.615 6.978 50 10 JKGE Cc1cc(Br)c([C@@H](Br)[C@@H]2[C@H]3CCCO[C@H]32)c(C)c1Br 2333708351 HIWVBZVDQVTFRI-OCCNTAHWSA-N 453.012 5.689 50 10 JKGE Fc1cccc([C@H](Br)c2c(Cl)cc(Br)c(F)c2Br)c1 2337092393 PQVKEHIBDJMXFO-NSHDSACASA-N 475.352 6.628 50 10 JKGE Brc1cc(Br)cc(CO[C@H]2CCCCCC[C@H]2Br)c1 2337099139 UURYYGQNEAYORO-CABCVRRESA-N 455.028 6.215 50 10 JKGE C[C@@H]1CN(Cc2cc(I)ccc2Cl)CC[C@H]1CCBr 2352414492 UQSPLEMLDVGUBF-VXGBXAGGSA-N 456.593 5.188 50 10 JKGE O=C(c1cc(Br)c(Br)s1)N1CC[C@H](Cl)C[C@H]1C(F)(F)F 2361449061 JOQHWCCDIZAXJE-XNCJUZBTSA-N 455.521 5.047 50 10 JKGE Fc1c(Br)cc(Cl)c([C@@H](Cl)C(F)(F)[C@@H]2CCOC2)c1Br 2362221968 BRUKYWOWGFATGJ-BLTYZCFWSA-N 456.911 5.956 50 10 JKGE Clc1ccc(CN2C[C@H]3CCCC[C@@]3(CBr)C2)cc1I 2362375305 IRCTUMFHRXXCGQ-CZUORRHYSA-N 468.604 5.332 50 10 JKGE Cn1cnc(Br)c1[C@@H](Br)c1ccc(Br)c2ccccc12 2362433342 MHXXQXFJHRKMCI-ZDUSSCGKSA-N 458.979 5.583 50 10 JKGE Clc1ccc(CN2CCC[C@@H]3CC[C@H](Br)C[C@@H]32)c(I)c1 2366725397 NHXFEYHWUHYOAZ-FFSVYQOJSA-N 468.604 5.473 50 10 JKGE COc1c(F)cc([C@H](Br)c2ccc(C)c(I)c2)cc1F 2370436864 JXJIQQLXBNAVGU-CQSZACIVSA-N 453.064 5.371 50 10 JKGE ClC[C@@H](CC1CCCCC1)NCc1ccc(I)c(Br)c1 2377333479 YMHKWJNWHAFHRF-CQSZACIVSA-N 470.620 5.721 50 10 JKGE CC(C)(C)Oc1ccc([C@@H](Br)c2ccc(Br)o2)cc1Br 2381323573 RSDVUAHCVAXJRL-CQSZACIVSA-N 466.995 6.466 50 10 JKGE N#C/C(=C/c1ccccc1)C(=O)Oc1ccc2c(=O)c(-c3ccc(Cl)cc3)c(C(F)(F)F)oc2c1 1777194 VJHYUCBCHVUDHK-ATVHPVEESA-N 495.840 6.645 50 10 JKGE O=C(NC1CCCCC1)[C@@H](c1ccccc1F)N(Cc1ccccc1Cl)C(=O)CCl 3033925 JAJIVDCOFZZSJX-JOCHJYFZSA-N 451.369 5.237 50 10 JKGE N#CC1=C(S)N[C@](O)(c2ccccc2)[C@@H]([n+]2cccc3cc(Cl)ccc32)[C@@H]1c1ccsc1 3087739 MVVRSFFRAZNNJG-CUYJMHBOSA-O 477.034 5.281 50 10 JKGE CCOc1ccc(NC(=S)NNC(=O)c2ccc(-c3cc(Cl)ccc3Cl)o2)cc1 15429385 LPJZBIGIBJEJKF-UHFFFAOYSA-N 450.347 5.284 50 10 JKGE Cc1sc2nc(/C(C#N)=C/c3cn(Cc4ccccc4)nc3-c3cccnc3)nc(O)c2c1C 16051182 MQUCOTNZUYQURE-RGVLZGJSSA-N 464.554 5.385 50 10 JKGE N#C/C(=C\c1ccc(-c2ccc([N+](=O)[O-])cc2Cl)o1)c1nc(-c2ccc3ccccc3c2)cs1 28356168 PKCSHKGUDBBHMB-XDHOZWIPSA-N 483.936 7.849 50 10 JKGE COc1ccccc1/C(C#N)=C\c1ccc(OC(=O)c2cc(C(F)(F)F)cc(C(F)(F)F)c2)cc1 31900665 IBTMCTMFQOUKOT-YVLHZVERSA-N 491.387 7.016 50 10 JKGE O=[N+]([O-])c1ccc(OC[C@H](Br)[C@@H](Br)c2cc(Cl)ccc2Cl)cc1 33353113 KKNXMZDBHCMFTD-ZFWWWQNUSA-N 483.971 6.180 50 10 JKGE COc1ccc(OC)c(NC(=O)/C(C#N)=C\c2cn(Cc3ccccc3)nc2-c2ccccc2)c1 35003467 KQIKDLGMKLIDGQ-JCMHNJIXSA-N 464.525 5.161 50 10 JKGE CCc1ccc(O[C@@H](C)C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@@H]3c2ccc(C(C)(C)C)cc2)cc1 38649858 VAUPUGUECLTYQX-HMILPKGGSA-N 496.607 6.138 50 10 JKGE COc1ccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4oc5cc(C)ccc5c4C)ccc32)cc1 38687381 YTJPQDFVDHDHDT-RUZDIDTESA-N 466.493 5.496 50 10 JKGE O=C(NNc1ncnc(Nc2cccc(Cl)c2)c1[N+](=O)[O-])C(c1ccccc1)c1ccccc1 40648637 RWFPKCRSLUIKOT-UHFFFAOYSA-N 474.908 5.057 50 10 JKGE Cc1c(C(=O)N2CCCCCC2)oc2c1/C(=N/NC(=O)C(c1ccccc1)c1ccccc1)CCC2 40815508 HFIMNBVAUUSRLC-QFMPWRQOSA-N 483.612 5.593 50 10 JKGE CCCCOc1ccccc1/C=C/C(=O)Oc1ccc(/C=C(\C#N)C(=O)NCc2ccco2)cc1 40944729 CXKYASWMTCQMFR-PYHCNAPLSA-N 470.525 5.301 50 10 JKGE O=C(CCl)Nc1ccc2nc(SCC(=O)NC(c3ccccc3)c3ccccc3)sc2c1 59422345 NYGFWERAOHIQPJ-UHFFFAOYSA-N 482.030 5.472 50 10 JKGE FC(F)Oc1ccccc1[C@@H](Br)c1cc(Br)sc1Br 104027134 GPKGTHKXQCIEBT-SNVBAGLBSA-N 476.962 6.359 50 10 JKGE CCc1ccccc1N/C(SCc1ccc(Cl)cc1)=C(\C#N)S(=O)(=O)c1ccccc1 104689163 NKLQAJUEYAALBG-VHXPQNKSSA-N 469.031 6.414 50 10 JKGE Clc1ccc([C@H](Br)c2csc(I)c2)c2ccccc12 124447220 BRWCTHNVRVMIRR-OAHLLOKOSA-N 463.565 6.644 50 10 JKGE Cl[C@H](c1cc(Br)c(Br)s1)c1sccc1Br 128154365 NMZJBMILXNCVFB-SSDOTTSWSA-N 451.430 6.425 50 10 JKGE CCOc1ccc(Br)cc1[C@H](Br)c1ccc(Br)c(C)c1 137903203 WBVGRKPLMFXPEA-MRXNPFEDSA-N 463.007 6.403 50 10 JKGE Cc1cc(Br)c([C@@H](Br)c2cc(Cl)ccc2C)cc1Br 213887638 OHSFDJKNVWKHJK-HNNXBMFYSA-N 467.426 6.966 50 10 JKGE O=C(Nc1cccc(CCCBr)c1)c1cc(Br)sc1Br 232485881 FCLSPMOYDPPBFK-UHFFFAOYSA-N 482.035 5.853 50 10 JKGE Clc1ccc([C@@H](Br)Cc2ccc(Br)cc2)c(Br)c1 236060975 IVLBEEBHYMSOKH-ZDUSSCGKSA-N 453.399 6.544 50 10 JKGE Clc1ccc(I)c([C@H](Br)c2ccc3c(c2)OCCO3)c1 236084496 ZVABNKPFLNWYSB-OAHLLOKOSA-N 465.512 5.200 50 10 JKGE CC(=NNC(=O)c1cc2c(C)nn(-c3ccccc3)c2s1)c1ccc2c(c1)Nc1ccccc1S2 254387756 VCYLWIPFBIKFJN-UHFFFAOYSA-N 495.633 6.758 50 10 JKGE N#Cc1ccccc1Cn1cc(C=NNC(=O)Cc2cccc(C(F)(F)F)c2)c2ccccc21 254443093 LBWMDYGDGZYQJU-UHFFFAOYSA-N 460.459 5.273 50 10 JKGE CCc1ccc(OCC(=O)NN=Cc2ccc(OC(=O)c3cccc4ccccc34)cc2)cc1 254486158 OKSFJTCNXDFLJW-UHFFFAOYSA-N 452.510 5.151 50 10 JKGE C[C@@H](C=NNC(=O)c1ccc(CN2c3cccc4cccc(c34)S2(=O)=O)cc1)c1ccccc1 254754899 VFRYNDGIUVMCLO-IBGZPJMESA-N 469.566 5.068 50 10 JKGE Fc1ccc(Br)cc1[C@@H](Cl)c1scc(C(F)(F)F)c1Br 312977304 QAUBZRJOWAPQRV-SNVBAGLBSA-N 452.492 6.759 50 10 JKGE CC(C)c1ccc([C@@H]2CN(C(=O)OCc3ccccc3)C[C@@H]2CI)cc1 382697143 LLKRUPGBWJDYJD-SFTDATJTSA-N 463.359 5.597 50 10 JKGE Cc1cc([C@H](Br)c2cc(I)ccc2Br)c(C)cc1F 386446340 PRWXOYLJOLYJSQ-HNNXBMFYSA-N 497.971 6.294 50 10 JKGE Brc1csnc1[C@H](Br)c1ccc(Br)c2ccccc12 404829008 WWRLVVGRUHWMOB-CYBMUJFWSA-N 462.004 6.306 50 10 JKGE O=C(N[C@H]1CCCCC[C@H]1Br)c1scc(Br)c1Br 705411480 YGMIAZWZOQCICR-APPZFPTMSA-N 460.029 5.099 50 10 JKGE C[C@@H]1Cc2cc(Br)cc([C@@H](Br)c3ncsc3Br)c2O1 720037509 ALUJMGCNLQYTSL-LHLIQPBNSA-N 468.008 5.476 50 10 JKGE Fc1ccc(C[C@@H](Br)c2ccc(I)c(Br)c2)cc1 721571346 GMTALJWIINDHGZ-GFCCVEGCSA-N 483.944 5.872 50 10 JKGE Cc1c(C=NNC(=O)c2ccc(CSc3ccc(Cl)cc3)cc2)c(Cl)nn1-c1ccccc1 1084176576 WOHSXFWKHMIQKJ-UHFFFAOYSA-N 495.435 6.544 50 10 JKGE CCOc1cc(C=NNC(=O)c2ccc3c(c2)OCO3)ccc1OCc1cccc2ccccc12 1084210678 JUXDRVJAPRJMAQ-UHFFFAOYSA-N 468.509 5.310 50 10 JKGE N#C/C(=C\c1cc(Br)c(Sc2ccc(Cl)cc2)o1)C(=O)NC1CCCCC1 1084513436 SKUMWHPZZOCELS-JLHYYAGUSA-N 465.800 6.203 50 10 JKGE COc1ccc(/C=C(/C#N)C(=O)Nc2cccc(Cl)c2)cc1OCc1ccccc1Cl 1084537518 AYILPSCYXXIGLO-WQRHYEAKSA-N 453.325 6.127 50 10 JKGE CCc1cc(Br)ccc1-c1ccc(/C=C(/C#N)C(=O)Nc2ccc(OC)cc2)o1 1084646957 SNNSIIPYNDBMAL-SSZFMOIBSA-N 451.320 5.826 50 10 JKGE COc1ccc(/C(C#N)=C/c2ccc(OC(=O)c3ccccc3Br)c(OC)c2)cc1OC 1615066020 ISZRDKDQCRROGQ-LDADJPATSA-N 494.341 5.758 50 10 JKGE O=C(Nc1ccc(C(=O)N/N=C/C=C/c2ccccc2)cc1)Nc1cccc(C(F)(F)F)c1 1615948674 WOOSFNKUIDIOTP-OZEOTOAESA-N 452.436 5.778 50 10 JKGE Cc1ccc(C(=O)NN=C2CCCc3oc(C(=O)Nc4cccc5ncccc45)c(C)c32)cc1 1772745257 WEMSLNCZVOSSTD-UHFFFAOYSA-N 452.514 5.167 50 10 JKGE CCOc1ccc2ccccc2c1C=NNC(=O)COc1ccc(Br)cc1C(C)C 1772755544 LTBYKZUMVGMOPI-UHFFFAOYSA-N 469.379 5.654 50 10 JKGE CC(C)Oc1ccc(C(=O)NCc2ccc(OC(=O)Nc3ccc(SC#N)cc3)cc2)cc1 1858908034 AWAIWRLGKYFQDV-UHFFFAOYSA-N 461.543 5.588 50 10 JKGE CCCc1nn(Cc2c(F)cccc2Cl)c2c1[C@H](c1cccc(Cl)c1)C(C#N)=C(N)O2 1865683729 NYUNWQZQHCRXNC-HXUWFJFHSA-N 457.336 5.548 50 10 JKGE CCn1nc(-c2ccccc2)c2c1OC(N)=C(C#N)[C@@H]2c1ccc(OCc2ccccc2)c(OC)c1 1865686979 GQUJMHRDIVLTJW-VWLOTQADSA-N 478.552 5.376 50 10 JKGE CCCOc1c(OC)cccc1[C@@H]1C(C#N)=C(N)Oc2c1c(CC)nn2-c1cccc2ccccc12 1865693426 OFJMEGFPKIKMEG-RUZDIDTESA-N 480.568 5.603 50 10 JKGE CCCCCCOc1ccc([C@H]2C(C#N)=C(N)Oc3c2c(CC)nn3-c2ccccn2)cc1OC 1865695349 BTCWPEMDBRCURS-DEOSSOPVSA-N 473.577 5.016 50 10 JKGE N#CC1=C(N)Oc2c(c(-c3ccccc3)nn2-c2ccc(Br)cc2)[C@H]1c1ccco1 1865698599 YIEFFCNREWMASO-LJQANCHMSA-N 459.303 5.113 50 10 JKGE CC(C)Oc1ccccc1[C@H]1C(C#N)=C(N)Oc2c1c(-c1ccccc1)nn2Cc1ccccc1 1865705009 JZFQBPCIYYMETK-VWLOTQADSA-N 462.553 5.604 50 10 JKGE Cc1cc([C@H](CC(=O)N[C@@H](C(=O)Nc2ccc(SC#N)cc2)c2ccccc2)C(C)C)ccc1F 1866767624 RQRYJFHDVNHMOZ-SHQCIBLASA-N 489.616 6.333 50 10 JKGE COc1cccc([C@@H](C)CC(=O)N[C@H](C(=O)Nc2ccc(SC#N)cc2)c2ccccc2)c1 1867113060 KHOFJYFXLRZMRW-BVZFJXPGSA-N 459.571 5.258 50 10 JKGE CC(C)C[C@H](C(=O)N[C@H](C)C(=O)Nc1ccc(SC#N)cc1)c1cccc(Br)c1 1867198052 OILBBQQQSUKOJE-QRWLVFNGSA-N 474.424 5.295 50 10 JKGE CCCCCCCCCOc1ccc(/C=C(\C#N)S(=O)(=O)c2ccc(Cl)cc2)cc1Cl 1872727192 FDXRCCBVKJWGGR-CJLVFECKSA-N 480.457 7.461 50 10 JKGE CCOc1ccc(/C=C/C(O)=C(\C#N)c2nc(-c3ccc(OC)c(F)c3)cs2)cc1OC 1872752435 BWDKFFGKUGWJIM-UQIPZTAISA-N 452.507 5.871 50 10 JKGE CCCCCCCOc1ccc(-c2csc(/C(C#N)=C(\O)COc3ccccc3OC)n2)cc1 1872752973 BSEORHUUYJFGEO-GYHWCHFESA-N 478.614 7.040 50 10 JKGE COc1ccc(OC/C(O)=C(\C#N)c2nc(-c3c[nH]c4ccccc34)cs2)c(C(C)(C)C)c1 1872752984 CDYRRFTZPRVWPO-NKFKGCMQSA-N 459.571 6.469 50 10 JKGE CCN(Cc1ccccc1)c1ccc(/C=C(\C#N)c2nc(-c3ccc(OC)c(OC)c3)cs2)cc1 1872781406 DSZBQXVZGOQKFX-LFVJCYFKSA-N 481.621 6.918 50 10 JKGE COc1cc(/C=C(\C#N)c2nc(-c3ccc4c(c3)CCCC4)cs2)ccc1OCc1ccc(C)cc1 1872782903 WKZTVTFELTVFDO-JFLMPSFJSA-N 492.644 7.649 50 10 JKGE Cc1ccc(S(=O)(=O)NC/C(O)=C(\C#N)c2nc(-c3ccc(-c4ccccc4)cc3)cs2)cc1 1873940694 CTVOZVBPNCLHIA-BZZOAKBMSA-N 487.606 5.557 50 10 JKGE C[C@](F)(CO[C@H](CI)c1ccccc1Br)C(F)(F)F 1876652486 XFXLMGMFJINWTI-MNOVXSKESA-N 455.027 5.232 50 10 JKGE O=C(c1cc(Cl)ccc1Br)N(Cc1ccccc1)[C@@H](CBr)C1CC1 1915313054 LYWXYQRTYXZTKC-SFHVURJKSA-N 471.620 5.918 50 10 JKGE FC1(F)[C@@H]([C@@H](Br)c2sc(Br)cc2Br)C12CCC2 1922895450 VNOJSLKNYFDXMQ-CBAPKCEASA-N 450.968 6.145 50 10 JKGE Cc1c(Br)sc([C@@H](Br)c2cccc3c2CCCC3)c1Br 1922930423 RSSUONSOMIPTBF-AWEZNQCLSA-N 479.075 6.945 50 10 JKGE Cc1c(Br)sc([C@H](Br)[C@@H]2C[C@H]3C[C@H]2[C@@H]2C[C@H]32)c1Br 1922935349 OTPWOJYNCVPTFV-NGJUZXDCSA-N 455.053 6.310 50 10 JKGE Cn1nc([C@@H](Br)c2cc(Br)c(Br)s2)cc1Br 1937822091 SSCUOGAQIKRGOR-MRVPVSSYSA-N 493.844 5.253 50 10 JKGE CN(c1cc(Br)cc(F)c1CBr)C1CC(OCc2ccccc2)C1 2004048072 YFGJTVNOSCQVDX-UHFFFAOYSA-N 457.181 5.667 50 10 JKGE CCN[C@@H](c1c(Br)sc(Br)c1Cl)C1CC(Br)C1 2020154749 XVCZVQICRBNGPK-GVNUUABZSA-N 466.464 5.751 50 10 JKGE Cc1cc([C@@H](Br)c2csc(Br)c2Br)c(C)cc1Cl 2032958873 OEPIZHMSANTMDG-LLVKDONJSA-N 473.455 7.028 50 10 JKGE Cn1cc([C@H](Br)c2cc(Br)c(Cl)cc2F)nc1Br 2036575069 GEINWGIDHKELOH-SNVBAGLBSA-N 461.354 5.222 50 10 JKGE CN1CCC(N(Cc2ccccc2)c2c(CBr)ccc(Br)c2Cl)CC1 2036845744 VIRISSAOCLOTIB-UHFFFAOYSA-N 486.679 6.098 50 10 JKGE COc1ccc([C@@H](Br)c2sc(Cl)cc2Br)cc1Br 2036939462 QRSFGMNQWUULRT-LLVKDONJSA-N 475.427 6.419 50 10 JKGE COc1ccc(C=C(C#N)c2nc(-c3ccc(-c4ccc(Cl)cc4Cl)o3)cs2)cc1 2040751063 ISPXDGRAHAWPPQ-UHFFFAOYSA-N 453.350 7.450 50 10 JKGE Clc1c(Br)ccc(CBr)c1N1C[C@H]2C[C@H]1CN(Cc1ccccc1)C2 2042540118 LKHMKZANOAYTOV-RDJZCZTQSA-N 484.663 5.708 50 10 JKGE CC(C)(C)OC(=O)N1[C@H]2CC[C@H]1CC1(C2)CC2(CC[C@@](C)(CI)O2)C1 2065409220 IQIJJBUSXHPGSE-MPGHIAIKSA-N 461.384 5.071 50 10 JKGE COc1cc(Br)c(C)cc1[C@@H](Br)c1cccc(I)c1 2089724723 GHUUTOFPXQBICA-HNNXBMFYSA-N 495.980 5.855 50 10 JKGE Cc1cc(F)c([C@H](Br)c2c(Br)cccc2Br)cc1F 2094090870 MBKWKVMQDXFSKH-AWEZNQCLSA-N 454.934 6.283 50 10 JKGE O=C(c1scc(Br)c1Br)N1[C@H]2CCC[C@H](Br)[C@H]1CC2 2097816841 SCUNGXVFVFWHCQ-OYNCUSHFSA-N 472.040 5.194 50 10 JKGE Cc1c(Br)sc([C@@H](Br)[C@H]2CCCC(C)(C)CC2)c1Br 2100837864 GRYXQUGFGNHDST-JQWIXIFHSA-N 473.112 7.624 50 10 JKGE Cc1cc([C@@H](Br)c2csc3c(Br)cccc23)c(Br)s1 2101015374 VYWUWGGWYLXRNF-GFCCVEGCSA-N 481.072 7.281 50 10 JKGE C[C@]1(C(F)(F)F)C[C@]1(CBr)Cc1ccc(Br)cc1Br 2105514285 RADDXCABHJOTMG-RYUDHWBXSA-N 464.945 6.108 50 10 JKGE FC(F)(F)C1([C@H](Cl)c2c(Br)sc(Br)c2Cl)CCCC1 2116577948 BLYSYBJURWEMMF-SSDOTTSWSA-N 460.968 7.329 50 10 JKGE Cc1c(Br)sc([C@@H](Br)c2cc(Cl)c(F)cc2F)c1Br 2122801475 MDIBVYAAJHKMJU-JTQLQIEISA-N 495.408 6.997 50 10 JKGE Cc1cc([C@H](Br)c2c(C)nn(C)c2Br)c(C)cc1Br 2129265938 RHGWMIPQQSGFND-ZDUSSCGKSA-N 451.000 5.355 50 10 JKGE Cc1ccc(Br)c([C@@H](Br)c2cc(Br)c(Cl)cc2C)c1 2137641411 CZBLXKYLPJQTJG-HNNXBMFYSA-N 467.426 6.966 50 10 JKGE Fc1cc(Br)cc(F)c1[C@H](Cl)c1ccc(Br)cc1Br 2138859089 AGHKXWHGVGSURM-CYBMUJFWSA-N 475.352 6.581 50 10 JKGE Cc1cc(Br)c([C@H](Br)[C@@H]2[C@H]3CC[C@@H](C3)C2(C)C)cc1Br 2146283493 BMSFPFUGDQVZSZ-GREKMHCPSA-N 465.067 7.028 50 10 JKGE Fc1ccc(CO[C@H](CI)c2ccccc2Cl)c(Br)c1 2206264417 GOAKOJQWCXAFHD-OAHLLOKOSA-N 469.519 5.935 50 10 JKGE Cc1c(Br)cccc1[C@@H](Br)c1sc(Br)c(C)c1C 2218792465 XHLYKGGIUJYXOA-GFCCVEGCSA-N 453.037 6.683 50 10 JKGE CCCC1([C@H](Br)c2c(Br)cc(C)c(Br)c2C)CCC1 2227356084 PHXQDUFAFVAJNJ-OAHLLOKOSA-N 453.056 7.235 50 10 JKGE Cc1cc(Br)c([C@H](Br)[C@H]2C(C)(C)C2(F)F)c(C)c1Br 2227369987 OVZCPHCSGZBASD-RYUDHWBXSA-N 460.982 6.556 50 10 JKGE Cc1cc([C@@H](Br)c2sc(C)c(C)c2Br)c(C)cc1Br 2229319551 IVZZLOCUKVNSIY-CQSZACIVSA-N 467.064 6.991 50 10 JKGE O=C(Nc1ccc(Cl)cc1CBr)c1scc(Br)c1Br 2231004231 CLNXGNLNNBGNFH-UHFFFAOYSA-N 488.426 6.074 50 10 JKGE COc1cc(Br)c([C@H](Br)c2cccc(C)c2Br)cc1C 2236007053 HNVFGLUYXWMNMW-MRXNPFEDSA-N 463.007 6.321 50 10 JKGE Cc1cccc([C@@H](Br)c2c(F)cc(F)c(Br)c2F)c1Br 2236111601 QDRDLXGHJBYOTM-GFCCVEGCSA-N 472.924 6.422 50 10 JKGE CC[C@H](C)NCc1cc(Br)cc(Br)c1OC[C@H]1C[C@H]1Br 2240244681 OFTUCPRYPLZXNB-UFGOTCBOSA-N 470.043 5.262 50 10 JKGE Fc1cccc(I)c1[C@H](Cl)c1cc(Cl)c(Br)s1 2247987292 GSHRIPADBNEQPW-SNVBAGLBSA-N 465.940 6.236 50 10 JKGE Cc1sc([C@H](Cl)c2cc(Cl)ccc2I)c(Br)c1C 2253514088 VXLUZEJMXAUDSZ-GFCCVEGCSA-N 476.004 6.714 50 10 JKGE CCc1cc([C@H](Br)c2ccc(Br)c(C)c2)sc1Br 2255988806 NVCXVDBNUBUHDU-CYBMUJFWSA-N 453.037 6.628 50 10 JKGE COc1c(Br)cc(Cl)c(C)c1[C@H](Br)[C@H]1C[C@@H](Br)C1 2263537201 HSBYDPZASGBRDR-RGNHYFCHSA-N 461.419 6.029 50 10 JKGE Cc1sc(Br)c(C)c1[C@H](Br)c1cc(F)c(Br)cc1F 2267217296 FOMYTMKKCFMSLV-GFCCVEGCSA-N 474.990 6.652 50 10 JKGE COc1c(C)cc(Br)c(C)c1[C@H](Br)c1cc(Br)co1 2270463291 FXUDJJBJOXTPEP-CYBMUJFWSA-N 452.968 5.914 50 10 JKGE CO[C@@H]1CC[C@@H]([C@H](Br)c2c(F)cc(Br)c(F)c2Br)C1 2272725803 GEMDLTFRCUAOEF-AMXGMDGSSA-N 462.954 5.741 50 10 JKGE Fc1cc(Br)c(F)c(Br)c1[C@H](Br)C[C@H]1C[C@H]1C1CC1 2272739608 NDSZALXGIJBVCX-HRDYMLBCSA-N 458.966 6.362 50 10 JKGE Fc1ccc(C[C@@H](Br)c2c(F)cc(Br)c(F)c2Br)cc1 2288373714 LWIBAIUQCZLYSG-SECBINFHSA-N 472.924 6.308 50 10 JKGE COc1c(Br)cc(Cl)c(C)c1[C@@H](Br)c1cc(Br)n(C)n1 2295262230 GUWCQWLNWZWAMP-LBPRGKRZSA-N 487.417 5.400 50 10 JKGE N#CC(C(=O)Nc1ccc(Cl)c(Cl)c1)=C1S[C@H](Cc2ccccc2)C(=O)N1c1ccccc1 2296500338 IKPPZFFCVXKFPV-JOCHJYFZSA-N 494.403 6.058 50 10 JKGE Cc1cc(C)cc(Oc2nc3ccccn3c(=O)c2C=C(C#N)S(=O)(=O)c2ccc(Cl)cc2)c1 2296542717 CVWJEYXSGYKNCM-UHFFFAOYSA-N 491.956 5.095 50 10 JKGE CCOc1ccc(-c2csc(C(C#N)=Cc3cc4cc(Br)ccc4nc3Cl)n2)cc1 2297315903 QSOVBMJOCPZBLO-UHFFFAOYSA-N 496.817 7.237 50 10 JKGE CC[C@@](C)(C(F)F)[C@@H](Br)c1sc(Br)c(C)c1Br 2299839341 USLUUTHTVXCPDK-GZMMTYOYSA-N 455.000 6.699 50 10 JKGE Clc1cc(I)c([C@@H](Br)c2cccc(Cl)c2Cl)s1 2300954101 SHVVILFPINDGBN-VIFPVBQESA-N 482.395 6.797 50 10 JKGE CN(C)C(=O)C(C#N)=Cc1cc(Br)ccc1OCc1ccc(Cl)c(Cl)c1 2313566999 AMDAPGGXINVALH-UHFFFAOYSA-N 454.151 5.330 50 10 JKGE C[C@@H](NC(=O)C(C#N)=Cc1cc(Br)ccc1OCc1ccccc1)c1ccccc1 2313670713 QYFFXKQMFXBLDP-GOSISDBHSA-N 461.359 5.812 50 10 JKGE N#CC(=Cc1c2ccccc2cc2ccccc12)c1nc(-c2ccc(Br)cc2)cs1 2314499165 SNSJHCUXKDHIQQ-UHFFFAOYSA-N 467.391 7.943 50 10 JKGE Cc1ccccc1Oc1nc2c(C)cccn2c(=O)c1C=C(C#N)C(=O)Nc1cccc(Cl)c1 2314533600 SEAMZGMTLQCPSR-UHFFFAOYSA-N 470.916 5.303 50 10 JKGE COc1ccc(N2C(=O)[C@H](Cc3ccccc3C)SC2=C(C#N)C(=O)Nc2ccccc2OC)cc1 2314591672 AWXMDRNDCUPFCP-VWLOTQADSA-N 499.592 5.077 50 10 JKGE CCCOc1ccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)C=Cc4ccccc4)ccc32)cc1OCC 2314634750 GBRBHOVCSDUXET-LJAQVGFWSA-N 496.563 5.711 50 10 JKGE CCCCCCOc1ccc(C=C(C#N)C(=O)Nc2sc(C(=O)OCC)c(C)c2C#N)cc1OC 2314731920 ITYCZYLXFVBQKA-UHFFFAOYSA-N 495.601 5.618 50 10 JKGE CCC(F)(F)C[C@H](Br)c1c(Cl)cc(Br)c(F)c1Br 2315440633 VTRVDXFMCUONDF-LURJTMIESA-N 473.352 6.876 50 10 JKGE CCOc1ccc(Br)cc1[C@@H](Br)c1cnsc1Br 2315625115 JBVBVYNJZJTRJD-LLVKDONJSA-N 455.997 5.551 50 10 JKGE COc1ccc(C(C#N)=Cc2ccc(OC(=O)c3ccc(F)c(F)c3F)c(OC)c2)cc1OC 2320506912 UPBGWYDTIIWFRR-UHFFFAOYSA-N 469.415 5.413 50 10 JKGE Cc1cc(Br)c([C@@H](Br)[C@@H]2C[C@@]2(C)C(F)(F)F)cc1Br 2329632432 ORPQZRCLZSYMSB-XXILOJSOSA-N 464.945 6.545 50 10 JKGE N#CC(=C(O)CCN1C(=O)c2ccccc2C1=O)c1nc(-c2ccc3c(c2)CCCC3)cs1 2331240056 KRVPDGIETBFAOX-UHFFFAOYSA-N 455.539 5.168 50 10 JKGE CCc1cccc(C)c1N1C[C@H](C(O)=C(C#N)c2nc(-c3cc(C)ccc3C)cs2)CC1=O 2331319872 VMEFOJRLRYYAQW-HXUWFJFHSA-N 457.599 6.144 50 10 JKGE COc1ccc(-c2csc(C(C#N)=C(O)c3ccc4c(c3)C(=O)N(CC(C)C)C4=O)n2)cc1F 2331336900 IJLMTASSAOPKHA-UHFFFAOYSA-N 477.517 5.160 50 10 JKGE CCCCc1ccc(N2C[C@H](C(O)=C(C#N)c3nc(-c4cccc5ccccc45)cs3)CC2=O)cc1 2331339133 JLMXEMWTJNCMJS-JOCHJYFZSA-N 493.632 7.152 50 10 JKGE N#CC(=C(O)CCCOc1ccc2ccccc2c1)c1nc(-c2cccc3ccccc23)cs1 2331339687 ZFNRWTUZCKEMBD-UHFFFAOYSA-N 462.574 7.768 50 10 JKGE CCCCCCCOc1ccc(-c2csc(C(C#N)=C(O)Cc3ccc(OC)cc3OC)n2)cc1 2331344614 AAUFTPNQTALUSE-UHFFFAOYSA-N 492.641 7.212 50 10 JKGE COc1cc(Cl)c(C)cc1-c1csc(C(C#N)=C(O)c2ccc(N3CCCC3)c([N+](=O)[O-])c2)n1 2331390265 UGNCGAYIRUKXJL-UHFFFAOYSA-N 496.976 6.239 50 10 JKGE COc1cc(C=C(C#N)c2nc(-c3ccc(Cl)s3)cs2)ccc1OCc1ccc(C)cc1 2331485082 OQSPWCLSBSIETR-UHFFFAOYSA-N 479.026 7.485 50 10 JKGE CCCc1sc(Br)cc1[C@@H](Br)c1nn(CC)cc1Br 2338029842 NLILTXDAROUBDN-GFCCVEGCSA-N 471.056 5.926 50 10 JKGE Cc1cc(Br)c(F)c(Br)c1[C@H](Cl)c1cc(Br)oc1C 2339655488 ZKBLQEMRFPVWIO-GFCCVEGCSA-N 475.377 6.651 50 10 JKGE ClC[C@@H](Cc1ccc(I)c(Br)c1)C1CCCCCC1 2349842285 NGUSEUQBZFBSTM-CQSZACIVSA-N 455.605 6.422 50 10 JKGE Fc1cc(Cl)c(Br)c(Cl)c1[C@H](Br)c1cccc(Cl)c1F 2360422493 HZMZDMMUOLJNTA-SNVBAGLBSA-N 465.346 7.172 50 10 JKGE Cc1cc([C@@H](Cl)c2c(F)cc(Cl)c(Br)c2Cl)ccc1Br 2360493613 MSQSSRFABWDUAQ-CYBMUJFWSA-N 461.383 7.294 50 10 JKGE CC(C)(C)c1ccc([C@H](Br)c2ccc(OCc3ccccc3)cc2Br)cc1 2361199654 BVKMIRNQZAMFHU-QHCPKHFHSA-N 488.263 7.810 50 10 JKGE Fc1c(Br)cc(Cl)c([C@H](Cl)[C@H]2CCC[C@@H]2C(F)F)c1Br 2362226752 ZCCJBOZRJWXFKI-ZJXQECPTSA-N 454.939 6.965 50 10 JKGE COc1c(Br)cc(C)c([C@H](Br)C[C@@H]2CCC2(F)F)c1Br 2365176981 VKFUKKWDFAQUQQ-DTWKUNHWSA-N 476.981 6.400 50 10 JKGE COc1c(Br)cc(C)c([C@H](Br)C[C@@H]2OCC[C@H]2C)c1Br 2365216222 RVRFKBCFMIFDSE-UISBYWKRSA-N 471.027 5.780 50 10 JKGE C[C@H](Br)CN(CCC(C)(C)C)Cc1ccc(Cl)cc1I 2366726347 VIZLLOYKEUXCJB-LBPRGKRZSA-N 472.636 5.966 50 10 JKGE FC(F)(F)[C@H]1C[C@H](Br)CCN1Cc1cc(I)ccc1Cl 2380515446 PVMYHZHTSZKFLO-BXKDBHETSA-N 482.509 5.235 50 10 JKGE CC(C)c1ccc(C=NNC(=O)CSc2nnc([C@H](C)Nc3cccc(Cl)c3)n2C)cc1 15931510 YKANXRPZKGGWMS-INIZCTEOSA-N 471.030 5.007 50 10 JKGE CCOC(=O)/C(C#N)=C\c1c(C)cc(C)c(Cc2c(C)cc(C)c(/C=C(\C#N)C(=O)OCC)c2C)c1C 33347659 QCXJSZDTYSEAGZ-LZCXMDQRSA-N 498.623 6.068 50 10 JKGE COc1ccc2cc(/C=C(/C#N)c3nc(-c4ccc(Cl)c(Cl)c4)cs3)c(Cl)nc2c1 33391307 JNDJBXGPHICVKR-CHHVJCJISA-N 472.784 7.391 50 10 JKGE CNC(=O)/C(C#N)=C\c1cn(-c2ccccc2)nc1-c1ccc(OCc2ccccc2Cl)cc1 33599877 AEFBRIBSDKUVLE-QNGOZBTKSA-N 468.944 5.425 50 10 JKGE CCCCOc1cccc(-c2nn(-c3ccccc3)cc2/C=C(/C#N)C(=O)Nc2ccc(C)cc2)c1 35446796 SWXFPLVPACYLFQ-MOHJPFBDSA-N 476.580 6.572 50 10 JKGE C=CCOc1ccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4ccc(Cl)cc4)ccc32)cc1OC 38680848 WUXPEJOLSUOGRT-RUZDIDTESA-N 488.927 5.351 50 10 JKGE CC(C)CCOc1cccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4cccc([N+](=O)[O-])c4)ccc32)c1 38684749 AHCRRCYIAKNVHR-AREMUKBSSA-N 499.523 5.457 50 10 JKGE COc1ccc(/C=C/C(=O)Oc2ccc(/C=C(\C#N)c3nc(-c4ccc(Cl)cc4)cs3)cc2)cc1 39868065 YIYWUIHLBCUEMS-XYRWWDFDSA-N 498.991 7.155 50 10 JKGE CCCCCCOc1ccc(/C=C(C#N)/C(O)=N/c2nnc(SCCCC)s2)cc1OC 39997068 XIMPCXBENOGLHD-NBVRZTHBSA-N 474.652 6.593 50 10 JKGE C=CCOc1cccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4ccc(C(C)(C)C)cc4)ccc32)c1 40529787 WFNKLFAOXASFJK-HHHXNRCGSA-N 480.564 5.986 50 10 JKGE CCOc1cccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)[C@@H](C)Oc4ccc(C(C)C)cc4)ccc32)c1 40530192 IYNBSVHPTJNGGF-WHLCRQNOSA-N 498.579 5.800 50 10 JKGE Cc1c(C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@H]3c2cccc([N+](=O)[O-])c2)oc2ccc(F)cc12 40547529 VHVIGUBCPQYNDO-QHCPKHFHSA-N 485.427 5.226 50 10 JKGE Nc1c(NNC(=O)c2ccc(Cl)cc2Cl)ncnc1NN(c1ccccc1)c1ccccc1 40777867 JKRKPYHZQRYUBO-UHFFFAOYSA-N 480.359 5.288 50 10 JKGE CCc1ccc(OC(=O)c2oc3c(c2C)/C(=N/NC(=O)c2ccc(Cl)cc2)CCC3)cc1 40811719 YJWMRNXGOBZEST-NHFJDJAPSA-N 450.922 5.493 50 10 JKGE CCN(C(=O)c1oc2c(c1C)/C(=N/NC(=O)c1cccc3ccccc13)CCC2)c1ccccc1 40813616 BPCVQULFFFUKMR-BGABXYSRSA-N 465.553 5.878 50 10 JKGE COc1cc(/C=N/NC(=O)COc2cc(C)ccc2C(C)C)ccc1OCCc1ccccc1 40911643 WGRGTYLXNKAXIC-RDRPBHBLSA-N 460.574 5.278 50 10 JKGE CCOc1cc(/C=C(/C#N)c2nc3ccccc3[nH]2)ccc1OCC(=O)Nc1cc(F)ccc1C 50568414 FCRSCCOLJFBXGD-UNOMPAQXSA-N 470.504 5.491 50 10 JKGE Brc1cc(Br)c(OC2CC(Br)C2)c(Br)c1 97646556 SYJJFSXMYXKLQO-UHFFFAOYSA-N 463.789 5.279 50 10 JKGE COc1cc(/C=C(/C#N)c2ccc(F)cc2)c(Br)cc1OCc1ccc(F)cc1 101383428 XWMZYBPHSBXEMH-ZDLGFXPLSA-N 456.286 6.379 50 10 JKGE CCCCCCCCCCCCNC(=O)[C@@H]1CCCC[C@@H]1C(=O)OC(CCl)CCl 104738631 NVEHSRTYBAHFPB-RTWAWAEBSA-N 450.491 6.219 50 10 JKGE BrCC(CBr)(Cc1nccs1)c1cccc(Br)c1 127438064 OMEXPIFXSNWQEW-UHFFFAOYSA-N 454.025 5.176 50 10 JKGE Brc1cc([C@H](Br)c2ccc3ccccc3c2)sc1Br 128257172 FVBMKMFHSHWZMX-CQSZACIVSA-N 461.016 6.911 50 10 JKGE COc1ccc(/C=C(/C#N)C(=O)Nc2c(C)cc(C)cc2C)cc1CSc1ccc(C)cc1 207163243 LMWYRAILUMNMDC-UCQKPKSFSA-N 456.611 6.767 50 10 JKGE CC[C@@H]1[C@@H](C)[C@@H](Nc2ccc(SC#N)cc2)c2ccccc2N1C(=O)c1ccc(OC)cc1 229746567 MISAQJJJNQPHBP-DETVKUJNSA-N 457.599 6.497 50 10 JKGE CC(C)(C)[C@@H](CCBr)NC(=O)c1cc(Br)ccc1Br 231172981 DVIPVNLRORXJLD-GFCCVEGCSA-N 456.016 5.141 50 10 JKGE Clc1cc([C@@H](Br)c2ccc(Br)s2)ccc1I 232343699 QDKHTIIVRRXVLO-LLVKDONJSA-N 492.401 6.253 50 10 JKGE COc1ccc([C@@H](Br)c2ccc(Br)cc2Br)cc1OC 234976905 MLEGCXLXAOVSEF-OAHLLOKOSA-N 464.979 5.713 50 10 JKGE Cc1cccc([C@@H](Br)Cc2c(F)cccc2Cl)c1I 235926778 WPOQZQUZLLWTDR-LBPRGKRZSA-N 453.520 6.071 50 10 JKGE Fc1ccc([C@@H](Br)c2cc(Cl)ccc2Br)cc1Br 236173245 REAZQQXSXIBQJH-CYBMUJFWSA-N 457.362 6.488 50 10 JKGE CCCOc1ccc(C=NNC(=O)COc2ccc(OCc3ccccc3)cc2)c(OCCC)c1 254847032 VTYRIAKIXCQJDV-UHFFFAOYSA-N 476.573 5.372 50 10 JKGE C[C@@H](Cl)c1nc2cc(I)ccc2n1C[C@H]1CCCCN1Cc1ccccc1 379610280 PEFFGBQCSWBELH-VQIMIIECSA-N 493.820 5.995 50 10 JKGE C[C@@H]1CCC[C@H](CO[C@@](C)(CI)c2ccccc2Br)C1 379879434 OSKANVKKOACDCF-KEYYUXOJSA-N 451.186 5.942 50 10 JKGE CC(C)(C)OC(=O)Nc1cccc([C@@H]2Cc3ccccc3N(CCO[Si](C)(C)C(C)(C)C)C2)c1 616673431 SSDZBRIMTJBCFW-HSZRJFAPSA-N 482.741 7.202 50 10 JKGE Fc1ccc2nc(CCl)n(C[C@H]3CCCCN3Cc3ccccc3)c2c1Br 689711411 RZVAEUXXCSOYRO-MRXNPFEDSA-N 450.783 5.731 50 10 JKGE Fc1ccc([C@@H](Cl)c2cc(Cl)ccc2I)c(F)c1Br 691543028 SSUFBQSOKVAICZ-GFCCVEGCSA-N 477.901 6.314 50 10 JKGE COc1cc(C)c(Br)cc1[C@@H](Br)Cc1ccccc1Br 692449540 TZJSFUMGTWTVKI-HNNXBMFYSA-N 463.007 6.207 50 10 JKGE Cn1cc(Br)c([C@H](Br)c2cc(Cl)c(Br)cc2F)n1 693108839 TZLOFXBTXOUGJF-SNVBAGLBSA-N 461.354 5.222 50 10 JKGE COc1ccc(Oc2ccc(Br)cc2CBr)cc1I 712920234 SGQQJOGNWUBBIE-UHFFFAOYSA-N 497.952 5.750 50 10 JKGE O=C(NCCc1cccc(F)c1)[C@@H](c1cccs1)N(C(=O)CCl)c1cccc(C(F)(F)F)c1 725237745 MXESQAZOMLPTRY-OAQYLSRUSA-N 498.929 5.578 50 10 JKGE Cc1ccc(-n2c(C)cc(C=NNC(=O)CSC3c4ccccc4-c4ccccc43)c2C)c(C)c1 1083986093 SAKXUNBDARZJKI-UHFFFAOYSA-N 479.649 6.664 50 10 JKGE CCc1ccccc1NC(=O)/C(C#N)=C/c1cccc(OCc2ccc(Cl)cc2Cl)c1 1084186277 NYMNYQNSALNDEO-UDWIEESQSA-N 451.353 6.680 50 10 JKGE COc1cc(C=NNC(=O)c2cc3ccccc3o2)ccc1OCc1ccc(Cl)cc1Cl 1084236408 HANXCYKXMAOOQW-UHFFFAOYSA-N 469.324 6.091 50 10 JKGE Cc1c(C(=O)O)cccc1-c1ccc(C=NNC(=O)c2cc3cc(Br)ccc3o2)o1 1084387942 SOTAHUUFYISOON-UHFFFAOYSA-N 467.275 5.226 50 10 JKGE Cc1ccccc1NC(=O)c1oc2c(c1C)C(=NNC(=O)c1cccc3ccccc13)CCC2 1772747395 HHGWXJHQTXPRME-UHFFFAOYSA-N 451.526 5.772 50 10 JKGE N#CC1=C(N)Oc2c(c(C(F)(F)F)nn2-c2ccccc2Cl)[C@H]1c1cccc(Cl)c1 1865684443 YOLUZZOPHOJAHE-HNNXBMFYSA-N 451.235 5.416 50 10 JKGE CCCCCOc1ccc([C@H]2C(C#N)=C(N)Oc3c2c(CC)nn3-c2ccc(Cl)cc2)cc1 1865692922 JVRVTCGNDHXNEU-QHCPKHFHSA-N 462.981 5.875 50 10 JKGE N#C/C(=C(/O)c1cccc(Br)c1)c1nc(-c2ccc(-c3ccccc3)cc2)cs1 1872743712 IMPLXGJHJINBJP-LNVKXUELSA-N 459.368 7.189 50 10 JKGE CCCCc1ccc(-c2csc(/C(C#N)=C(\O)[C@@H]([C@@H](C)CC)N3C(=O)c4ccccc4C3=O)n2)cc1 1872744631 AQBYDDAGAZBSOR-CNXCKRMSSA-N 499.636 6.656 50 10 JKGE COc1ccc(OC)c(/C=C/C(O)=C(\C#N)c2nc(-c3ccc(Cl)cc3Cl)cs2)c1 1872744765 HGKNARNWJIIYRP-UIZFBHIPSA-N 459.354 6.640 50 10 JKGE N#C/C(=C(/O)c1ccc2c(c1)C(=O)N(Cc1ccco1)C2=O)c1nc(-c2ccccc2)cs1 1872747750 SEMMZNQLSBWZSK-XDOYNYLZSA-N 453.479 5.149 50 10 JKGE CC[C@H](C)[C@@H](/C(O)=C(\C#N)c1nc(-c2c(C)c(C)cc(C)c2C)cs1)N1C(=O)c2ccccc2C1=O 1872754551 YHMFVXVYKXNGQB-SVJAADIGSA-N 499.636 6.547 50 10 JKGE COc1c(C)cc(C)cc1-c1csc(/C(C#N)=C(\O)c2cc([N+](=O)[O-])c(C)c([N+](=O)[O-])c2)n1 1872754725 GFEVXVMTUBXTIY-SILNSSARSA-N 466.475 5.510 50 10 JKGE COc1cc(-c2csc(/C(C#N)=C(O)/C=C/c3ccc(Cl)cc3Cl)n2)c(OC)cc1Cl 1872754862 MKHCKILKHIXVDY-DWIOIQMSSA-N 493.799 7.294 50 10 JKGE COc1cc(Cl)c(C)cc1-c1csc(/C(C#N)=C(O)/C=C/c2cc(OC)c(OC)c(OC)c2)n1 1872756882 FZVHEFWOJZEKIC-WWEZVLTNSA-N 498.988 6.312 50 10 JKGE COc1c(C)cc(Cl)cc1-c1csc(/C(C#N)=C(\O)c2cc3ccccc3oc2=O)n1 1872757226 VLMRXGGSAZHNPW-JZJYNLBNSA-N 450.903 5.837 50 10 JKGE COc1cc(C)c(-c2csc(/C(C#N)=C(\O)COc3ccc(Cl)cc3Cl)n2)cc1C 1872758437 ZXVUOXDGYUZEDD-MNDPQUGUSA-N 461.370 6.614 50 10 JKGE COc1ccc(-c2csc(/C(C#N)=C(O)/C=C/c3ccccc3Cl)n2)c(OC)c1OC 1872759439 ONDDTXCAXCKENF-ZGYLECOASA-N 454.935 5.995 50 10 JKGE CCCCCCCOc1ccc(-c2csc(/C(C#N)=C/c3ccc(Cl)cc3Cl)n2)cc1 1872791508 LTEDBIPCZYOYBL-XSFVSMFZSA-N 471.453 8.530 50 10 JKGE COc1cc(/C=C(\C#N)c2nc(-c3c[nH]c4ccccc34)cs2)ccc1OCCCc1ccccc1 1872791596 NCTXDEMIXACDAF-XQNSMLJCSA-N 491.616 7.376 50 10 JKGE Cc1ccsc1[C@@H](Br)c1cc(Br)ccc1OCc1ccccc1 1899858838 IKMZKRQTJICSNK-SFHVURJKSA-N 452.211 6.882 50 10 JKGE CC(C)[C@@H](Cc1ccc(I)c(Br)c1)[C@@H](C)Br 1904322577 QSGDDVSXVDJOBA-MWLCHTKSSA-N 459.991 5.652 50 10 JKGE CC[C@H](Br)CN(Cc1ccccc1)S(=O)(=O)c1cccc(C(F)(F)F)c1 1915078809 VDXLCAAQWVHXBI-INIZCTEOSA-N 450.320 5.070 50 10 JKGE CC[C@H](Br)CN(Cc1ccccc1)S(=O)(=O)c1ccc(Cl)cc1C(F)(F)F 1915088698 NYOHVAYGRKBOLG-AWEZNQCLSA-N 484.765 5.723 50 10 JKGE C[C@@H](CCBr)N(Cc1ccccc1)C(=O)c1ccc(Br)cc1C(F)(F)F 1915090753 OMPFABVVFHTOFB-ZDUSSCGKSA-N 493.161 6.284 50 10 JKGE FC(F)(F)c1ccccc1[C@@H](Br)c1c(Cl)sc(Br)c1Cl 1925601582 WVQSOTVASWDHSU-MRVPVSSYSA-N 468.947 7.321 50 10 JKGE CCc1cc(Br)c([C@@H](Br)c2cccc(I)c2)s1 1942101662 MCHLQYKAZZVFAF-LBPRGKRZSA-N 486.010 6.162 50 10 JKGE CCCC(CBr)(CCC)CN(CCCNC(=O)OC(C)(C)C)Cc1ccccc1 1959571527 UYWGJEYCGBGMRW-UHFFFAOYSA-N 469.508 6.385 50 10 JKGE CC1(C)C[C@H]([C@H](Br)c2c(Br)sc(Br)c2Cl)CO1 1997141996 KIAZSFIVJCYXRF-FSPLSTOPSA-N 467.448 6.178 50 10 JKGE CC[C@@H](C)N(Cc1ccccc1)S(=O)(=O)c1ccc(Br)c(CBr)c1 2009710049 DNVHXHXYJHDIHJ-CQSZACIVSA-N 475.246 5.333 50 10 JKGE Cc1cc(Br)c(F)c([C@@H](Br)c2cc(Br)sc2C)c1 2028924269 PEGVWNKTVUHMIE-LBPRGKRZSA-N 457.000 6.513 50 10 JKGE Clc1cccc(C[C@H](Br)c2cccc(Br)c2Br)c1 2031483016 ZDNHXJHVSJLRAY-ZDUSSCGKSA-N 453.399 6.544 50 10 JKGE Cc1sc(Br)cc1[C@H](Br)c1cc(F)c(Br)cc1F 2034563070 ZJWAZBQQAGTTKW-LBPRGKRZSA-N 460.963 6.344 50 10 JKGE COc1sc([C@H](Br)c2ccc(Br)c(C)c2)cc1Br 2034629532 NXRCRRHVPFAPRB-GFCCVEGCSA-N 455.009 6.074 50 10 JKGE FC1(F)[C@@H]2[C@@H]([C@H](Br)c3c(Br)sc(Br)c3Cl)CC[C@H]21 2040542676 RZGXPVKWAYYWMN-HPQVQDLLSA-N 485.413 6.654 50 10 JKGE Clc1cccc(Cl)c1C[C@@H](Br)c1cc(Br)sc1Br 2042857193 KJPXAONQILAMBA-MRVPVSSYSA-N 493.873 7.259 50 10 JKGE CCc1sc(Br)cc1[C@H](Br)c1nn(C)c(Cl)c1Br 2048156137 OBWARHGQTRQBEQ-QMMMGPOBSA-N 477.447 5.707 50 10 JKGE Brc1cc(Br)c([C@@H](Br)c2ccc3sncc3c2)s1 2057039865 XNUFPZAPXHHKOR-NSHDSACASA-N 468.033 6.367 50 10 JKGE CC1(C)C[C@@H](Br)CCN(Cc2cccc(Br)c2Br)C1 2092340693 SVPGFWBGQXBRMX-LBPRGKRZSA-N 454.044 5.597 50 10 JKGE CCCCc1ccc([C@@H](Br)c2csc(Br)c2Br)cc1 2093942263 ONBOFPWPBGIOOK-CYBMUJFWSA-N 467.064 7.100 50 10 JKGE Fc1cccc([C@H](CBr)Cc2c(Br)cccc2Br)c1 2094096384 XBBBTTYWHKGVTE-NSHDSACASA-N 450.971 6.072 50 10 JKGE CCn1ncc(Br)c1[C@@H](Br)c1cc(Cl)c(Br)cc1F 2094272530 XFZBQTMDFDDOSU-NSHDSACASA-N 475.381 5.705 50 10 JKGE Brc1cccc(CN2C[C@@H]3CCC[C@H](Br)[C@H]3C2)c1Br 2094583926 YCFVGFOHDKGLAG-DRZSPHRISA-N 452.028 5.207 50 10 JKGE CCc1occ(C)c1[C@H](Br)c1cc(Br)c(C)cc1Br 2096746074 XOIIRDWKBGFHNA-OAHLLOKOSA-N 450.996 6.468 50 10 JKGE CC1(C)C[C@H](CBr)CN(Cc2cc(Br)ccc2Br)C1 2118520863 YQCMCIAASOJMSK-LLVKDONJSA-N 454.044 5.455 50 10 JKGE Cc1cc(Br)c(C)c([C@H](Br)C[C@@H]2C[C@H]3C[C@H]3C2)c1Br 2136371283 NHBOPNNTACSEOA-GFQSEFKGSA-N 451.040 6.701 50 10 JKGE COc1cc(F)c([C@H](Cl)c2ccc(I)cc2)cc1Br 2138145417 AREVRDRRRPMSHU-CQSZACIVSA-N 455.492 5.530 50 10 JKGE Cc1nn(C)c([C@@H](Cl)c2ccc(Br)c(C)c2Br)c1Br 2138866744 VHFUGCYXKZCWPB-LBPRGKRZSA-N 471.418 5.653 50 10 JKGE O=C1Cc2cc([C@H](Br)c3c(Br)cccc3Br)ccc2N1 2150495221 WCLSDXSDVNKJSP-HNNXBMFYSA-N 459.963 5.191 50 10 JKGE Cc1cc([C@H](Br)c2cc(Br)cc3c2O[C@H](C)C3)c(Br)s1 2157244629 CAUPCPSJQVNPSH-FUXBKTLASA-N 481.047 6.389 50 10 JKGE Cc1c(Cl)cc([C@H](Br)[C@H](C)c2ccncc2Br)cc1Br 2167377370 OPFKNRVPQJADHD-ANRSDYALSA-N 482.441 6.808 50 10 JKGE COc1ccc(Oc2cc(C)cc(Br)c2CCl)cc1I 2173443247 BEASOMZOAYFEPE-UHFFFAOYSA-N 467.528 5.902 50 10 JKGE CCCCCc1ccc([C@@H](Br)c2ccc(Br)cc2Br)s1 2197256453 CVAACUDJTVYJPQ-INIZCTEOSA-N 481.091 7.490 50 10 JKGE COCC1([C@@H](Br)c2c(C)c(Br)cc(C)c2Br)CCCC1 2201066871 FVCHCNXXOAKPKS-HNNXBMFYSA-N 469.055 6.471 50 10 JKGE C[C@@H]1CC[C@H](C(C)(C)Cc2ccc(I)c(Cl)c2)[C@@H](Br)C1 2208031784 CUOQYZFOVFUEBQ-XBFCOCLRSA-N 469.632 6.713 50 10 JKGE CC(C)(C)[C@@H](Br)CCc1sc(Br)c(Br)c1Br 2212199802 GNKAPWVTUXRKAI-ZETCQYMHSA-N 497.916 6.778 50 10 JKGE Fc1cc(Br)c(Br)cc1[C@H](Br)c1ccsc1Cl 2213488874 IMNGXQLJSDFVAN-SNVBAGLBSA-N 463.391 6.550 50 10 JKGE CC1(C)C(C)(C)C1(C)[C@@H](Br)c1c(Br)cc(Cl)c(Cl)c1Cl 2232518520 DBHOXTZOQKXJGU-LBPRGKRZSA-N 463.468 7.918 50 10 JKGE Cc1cc(Br)c([C@H](Cl)c2ccc(Br)c(Cl)c2)c(C)c1Cl 2232530775 VGKFHMIHDNUQJF-OAHLLOKOSA-N 457.420 7.463 50 10 JKGE Fc1cc(Br)c(Br)cc1[C@H](Br)[C@H]1C[C@@H]1C1CCCCC1 2233976297 OBSINOIQPMHJLU-OHUAYANFSA-N 469.030 7.003 50 10 JKGE ClCc1nc2cc(Br)c(Br)cc2n1Cc1ccsc1Cl 2234071409 FXBDKJVAQAFLRR-UHFFFAOYSA-N 455.002 6.063 50 10 JKGE CCOc1cc(CBr)cc(Br)c1OCc1nscc1Br 2235381346 SSSAPOPOBPSAKV-UHFFFAOYSA-N 486.023 5.541 50 10 JKGE FC(F)(F)Oc1ccc(Cl)cc1[C@H](Cl)c1csc(I)c1 2239609000 MZSYCBGSNARMIB-LLVKDONJSA-N 453.050 6.233 50 10 JKGE Fc1cc(Br)c([C@H](Br)c2cc(Br)co2)c(F)c1Cl 2258118049 ORPKWOSYTRUHPT-SECBINFHSA-N 465.313 6.221 50 10 JKGE COc1ccc([C@@H](Br)c2ccc(Br)cc2C)cc1I 2269554715 GFIOWOCHRSICNF-OAHLLOKOSA-N 495.980 5.855 50 10 JKGE Fc1cc(Br)c(F)c(C[C@H](Br)c2ccccc2Br)c1 2272898112 QFDBNMSAEQMMEI-LBPRGKRZSA-N 454.934 6.169 50 10 JKGE Fc1cc(Cl)cc([C@H](Br)Cc2cc(Br)cc(Br)c2)c1 2277964137 CEGYQJKUHROMML-CQSZACIVSA-N 471.389 6.683 50 10 JKGE COc1cc(OC)c([C@H](Cl)c2scc(Br)c2Br)cc1Cl 2279136686 GRVONKJXGSDIAB-LBPRGKRZSA-N 461.002 6.272 50 10 JKGE COc1ccc(Br)c2c1nc(CCl)n2C[C@@H]1CC1(Br)Br 2286081381 RVGREUYBRGPCPI-ZETCQYMHSA-N 487.417 5.052 50 10 JKGE Fc1cc(Br)c(F)c(Br)c1[C@H](Br)[C@@H]1CC[C@H]2C[C@H]1CO2 2288498376 GCWMXTFZRHYKNG-OUDXYJABSA-N 474.965 5.741 50 10 JKGE Cc1ccc(C[C@H]2SC(=C(C#N)C(=O)Nc3ccc(Cl)cc3)N(c3ccc(F)cc3)C2=O)cc1 2293039216 PYDANSOGYKCDRV-HSZRJFAPSA-N 491.975 5.853 50 10 JKGE Cn1ncc2cc([C@H](Br)Cc3cc(Br)cc(Br)c3)sc21 2295329960 OXCRRTCCUKPDCA-GFCCVEGCSA-N 479.035 5.839 50 10 JKGE COc1ccc(Oc2c(CBr)ccc(Br)c2Cl)cc1Br 2295453253 IXQBJCGGKHMUBF-UHFFFAOYSA-N 485.397 6.561 50 10 JKGE CCn1c2ccccc2c2cc(NC=C(C#N)c3nc(-c4ccc(CC(C)C)cc4)cs3)ccc21 2295948534 GLRCERPQUKTDRK-UHFFFAOYSA-N 476.649 8.113 50 10 JKGE CCCOC(=O)c1ccc(NC=C(C#N)c2nc(-c3ccc(Br)cc3)cs2)cc1 2296798480 ZBQOOVDCPMLUQC-UHFFFAOYSA-N 468.376 6.116 50 10 JKGE N#CC(=Cc1ccc2noc(-c3ccccc3)c2c1)C(=O)Nc1sc2c(c1C(N)=O)CCCC2 2296836397 LLRPEIAQJXYURD-UHFFFAOYSA-N 468.538 5.080 50 10 JKGE FC(F)(CC1CC1)[C@@H](Br)c1ccc(OCc2ccccc2)cc1Br 2299535027 KNWBYKUBSRODOL-SFHVURJKSA-N 460.156 6.900 50 10 JKGE FC(F)(F)[C@@H]1CC[C@H]1[C@@H](Br)c1sc(Cl)cc1I 2300950169 WYYFHFVLRPTPEQ-OKMMGKLZSA-N 459.496 6.031 50 10 JKGE Fc1cccc([C@H](Cl)c2sc(Cl)cc2I)c1Br 2300955974 SVSDRANEQJRWGN-JTQLQIEISA-N 465.940 6.236 50 10 JKGE N#CC(=Cc1cn(Cc2ccc(Cl)cc2Cl)c2ccccc12)C(=O)Nc1ccccc1F 2313631803 WCBNFCKRIABRFP-UHFFFAOYSA-N 464.327 6.681 50 10 JKGE CCOc1ccc(NC(=O)C(C#N)=Cc2ccc(OCc3ccc(Cl)cc3)c(OC)c2)cc1 2313675793 SVHCSFMOGOQOIK-UHFFFAOYSA-N 462.933 5.872 50 10 JKGE COc1ccc(CCN2C(=O)C(=Cc3ccc(-c4ccc(Cl)cc4)o3)C(C)=C(C#N)C2=O)cc1 2314620785 VBJKRNXPYWCSPP-UHFFFAOYSA-N 472.928 5.444 50 10 JKGE COc1ccc(OC)c([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)C=Cc4ccccc4Cl)ccc32)c1 2314634688 ZJIVMNMAFHUEIG-SANMLTNESA-N 488.927 5.194 50 10 JKGE CCOc1ccccc1C=CC(=O)Oc1ccc(C=C(C#N)c2ccc(Cl)cc2)cc1OC 2314774584 RRNDYGPAJUGCMB-UHFFFAOYSA-N 459.929 6.430 50 10 JKGE CC1(C)CC2(CC([C@H](Br)c3sc(Cl)cc3I)C2)C1 2316605454 HWHZCSMZBQZMLG-NSHDSACASA-N 459.618 6.659 50 10 JKGE COc1ccc(OCCCC(=O)Oc2ccc(C=C(C#N)c3ccccc3OC)cc2OC)cc1 2318356353 WNSXKAWUVHBERX-UHFFFAOYSA-N 473.525 5.541 50 10 JKGE COc1cc(C=C(C#N)c2nc3cc(C)ccc3n2C)ccc1OCc1ccc(Cl)c(Cl)c1 2331018573 QJYKBXUQQAWNJD-UHFFFAOYSA-N 478.379 6.840 50 10 JKGE CCCOc1ccc(-c2csc(C(C#N)=C(O)COc3ccc(OC)cc3C(C)(C)C)n2)cc1 2331318543 WYNQDROFPZMPII-UHFFFAOYSA-N 478.614 6.777 50 10 JKGE COc1ccc(-c2csc(C(C#N)=C(O)Cc3ccc(OCc4ccccc4)cc3)n2)c(C)c1C 2331360091 AAXYNIPEJNZWRK-UHFFFAOYSA-N 482.605 7.050 50 10 JKGE COc1c(Cl)cc(Cl)cc1-c1csc(C(C#N)=C(O)c2ccc3nc(C)c(C)nc3c2)n1 2331364067 IQHMCFBXXFZUTJ-UHFFFAOYSA-N 483.380 6.635 50 10 JKGE CCOc1ccc(OCC)c(-c2csc(C(C#N)=C(O)[C@H](C)Oc3ccc(C(C)C)cc3)n2)c1 2331376437 DYFFHYDGWLPABA-SFHVURJKSA-N 478.614 6.991 50 10 JKGE CCOc1ccc(-c2csc(C(C#N)=C(O)[C@H]3CC(=O)N(C(C)(C)C)C3)n2)c(OCC)c1 2331386478 DFQDPUALLNQOOE-HNNXBMFYSA-N 455.580 5.047 50 10 JKGE CCOc1ccc(-c2csc(C(C#N)=C(O)c3cc(OC)c(OC)c(OC)c3)n2)c(OCC)c1 2331387037 QYPYRKRSIPFNMU-UHFFFAOYSA-N 482.558 5.583 50 10 JKGE CCCc1ccc(OCC(O)=C(C#N)c2nc(-c3ccc(OC)c4ccccc34)cs2)cc1 2331406490 RTNMLZLKMCQXGN-UHFFFAOYSA-N 456.567 6.796 50 10 JKGE Brc1ccc(OCc2ccccc2)c([C@H](Br)[C@@H]2C[C@H]2C2CCOCC2)c1 2336040322 DXNVXKACTXRSKV-NNMXDRDESA-N 480.240 6.527 50 10 JKGE Clc1cc(Cl)cc(C[C@H](Cl)c2cc(Br)ccc2OCc2ccccc2)c1 2336045352 VYCBBEFGLGZNLM-FQEVSTJZSA-N 470.621 7.858 50 10 JKGE Brc1ccc(OCc2ccccc2)c([C@H](Br)c2cccc(C3CC3)c2)c1 2336054645 TYNFVSQNDINCPE-HSZRJFAPSA-N 472.220 7.390 50 10 JKGE Cl[C@@H]1C[C@@H](Oc2cc(Br)cc(I)c2)C12CCCCC2 2338757159 HBQPXNHLLHURJU-ZIAGYGMSSA-N 455.561 5.763 50 10 JKGE C[C@H]1CCC[C@@](CBr)(Cc2ccc(Cl)cc2I)CC1 2341053425 XWDQVZLLCWHCGP-LRDDRELGSA-N 455.605 6.469 50 10 JKGE ClCCc1ccccc1NCc1ccc(I)c(Br)c1 2349829469 OVFJNLXSRUILKX-UHFFFAOYSA-N 450.545 5.447 50 10 JKGE BrC[C@H]1C[C@@H]2CCC[C@@H]2N1Cc1ccc(I)c(Br)c1 2349853054 HMLWYWGXTNZGNM-ZOWXZIJZSA-N 499.028 5.192 50 10 JKGE FC1(F)CCC[C@@H]2[C@@H]([C@@H](Br)Cc3cc(Br)cc(Br)c3)[C@@H]21 2360163976 YHLPLMIRKQLJGW-ZOBORPQBSA-N 472.993 6.199 50 10 JKGE FC(F)(F)[C@H]1C[C@@H](Br)CCN1Cc1ccc(Br)cc1Br 2361419875 CVALYRYCNAMWBG-CMPLNLGQSA-N 479.960 5.502 50 10 JKGE ClC[C@H](Cc1ccc(Cl)c(I)c1)Cc1ccccc1Br 2362377640 DLSYREQYFVTANN-GFCCVEGCSA-N 484.002 6.347 50 10 JKGE Clc1ccc(CN2CCC[C@@]3(CBr)CCC[C@@H]23)cc1I 2362379130 KZVGJIKHRIATNW-HZPDHXFCSA-N 468.604 5.474 50 10 JKGE Fc1ccc(C(F)F)c([C@H](Cl)c2ccc(OCc3ccccc3)cc2Br)c1 2363677265 OEWFQSMOQVYBIX-HXUWFJFHSA-N 455.701 7.433 50 10 JKGE COc1c(Br)cc(C)c([C@@H](Br)[C@H]2CCCC23CC3)c1Br 2365188519 MBLTZVRNBSUWRI-MFKMUULPSA-N 467.039 6.545 50 10 JKGE Cc1cc(Br)c(F)c(Br)c1[C@H](Br)[C@@H]1C[C@@]12CCCOC2 2365192963 FMTHCQXKLSTSEY-TURKWSHLSA-N 471.002 5.912 50 10 JKGE CC(C)C1CCC(CBr)(OCc2cccc(I)c2)CC1 2367342093 DTAHXNWFYIVZQS-UHFFFAOYSA-N 451.186 5.788 50 10 JKGE CC(C)C[C@H](CBr)CN1CC[C@@H](C(F)(F)F)C[C@@H]1CNC(=O)OC(C)(C)C 2382177325 ISFMOHDBXIERPU-BZUAXINKSA-N 459.391 5.211 50 10 JKGE N#C/C(C(=O)Nc1ccc(Cl)cc1)=C1\S[C@@H](Cc2ccccc2)C(=O)N1c1ccc(F)cc1 1790095 DUTBBNPJXUJFSB-SCIJIFGBSA-N 477.948 5.544 50 10 JKGE COc1cccc(C[C@@H]2S/C(=C(\C#N)C(=O)Nc3ccccc3)N(c3ccccc3C)C2=O)c1 2193527 ZYAUVZHLDAJQPT-ABPPERTMSA-N 469.566 5.069 50 10 JKGE CSc1sc(C)cc1[C@@H]1C(C#N)=C(N)N(c2cccc(Cl)c2)C2=C1C(=O)CC(C)(C)C2 9981532 RVXZAOVPLZYAIE-HXUWFJFHSA-N 470.063 6.373 50 10 JKGE CC(C)(C)c1ccc(OCC(=O)N/N=C/c2ccc(Cl)cc2Cl)c(Br)c1 12403436 XBCHHSLIIYPFHB-AUEPDCJTSA-N 458.183 5.583 50 10 JKGE Cc1ccccc1C(=O)Nc1ccc(C(=O)NNC(=O)[C@H](C)Oc2ccc(-c3ccccc3)cc2)cc1 14038667 LMSCHCWVLDMKCW-NRFANRHFSA-N 493.563 5.143 50 10 JKGE COc1cc(/C=C(\C#N)c2ccc(F)cc2)cc(I)c1OCc1ccccc1 33475899 YZVKXKLFZCKHAO-YBFXNURJSA-N 485.296 6.082 50 10 JKGE COc1cc(/C=C(\C#N)c2ccc(C(=O)O)cc2)c(Br)cc1OCc1ccc(F)cc1 33477641 ZOPRDEKLDNWDFB-VXLYETTFSA-N 482.305 5.938 50 10 JKGE CCC(=O)N1CCN(C(=O)/C(C#N)=C2\SC=C(c3ccc(C)cc3)N2c2cccc(Cl)c2)CC1 37442143 HMULRPBWARTCFW-ROMGYVFFSA-N 493.032 5.016 50 10 JKGE CCN1C(=O)C(C#N)=C(C)/C(=C\c2ccc(OCc3ccc(Cl)cc3Cl)c(OC)c2)C1=O 38603350 CDSFLKYABMEPRW-GIJQJNRQSA-N 471.340 5.193 50 10 JKGE CCc1ccc2oc(C(=O)Oc3ccc4c(c3)OC(N)=C(C#N)[C@@H]4c3ccc(C)o3)c(C)c2c1 38688687 IRUXKFRKNNQHND-XMMPIXPASA-N 454.482 5.642 50 10 JKGE Cc1cccc(NC(=O)/C(C#N)=C\c2c(Oc3ccc(Cl)c(C)c3)nc3c(C)cccn3c2=O)c1 39858756 ZJXIFMVJDHXRDC-RGEXLXHISA-N 484.943 5.611 50 10 JKGE Cc1c(C(=O)N(C)c2ccccc2)oc2c1/C(=N/NC(=O)c1ccc(Cl)cc1Cl)CCC2 40813713 TYSGWLRFXRYUFW-ZXVVBBHZSA-N 470.356 5.642 50 10 JKGE COc1ccc([C@H](Br)c2cc(F)c(Br)cc2F)cc1Br 70474543 PPDJZJXXTWGIRX-AWEZNQCLSA-N 470.933 5.983 50 10 JKGE O=C(N/N=C1/C(=O)N(CCc2ccccc2)c2ccccc21)[C@H]1CC1(c1ccccc1)c1ccccc1 100433940 NZPZGRQDDUCLCR-RDMOISIUSA-N 485.587 5.102 50 10 JKGE CCOc1ccc(N2C(=O)[C@H](Cc3ccc(C)cc3)S/C2=C(/C#N)C(=O)Nc2cccc(C)c2)cc1 101245683 PAFBMJCIVDYWPY-HFVAWESISA-N 497.620 5.767 50 10 JKGE Cc1ccc(N2C(=O)[C@@H](Cc3ccc(Cl)cc3)S/C2=C(/C#N)C(=O)Nc2ccc(F)cc2)cc1 102765571 WYVSQOYOLDKFOH-YMGIJWJESA-N 491.975 5.853 50 10 JKGE Cc1cc(Br)c([C@H](Cl)c2ccccc2Br)cc1Br 128626266 ZUUMGINXYUBFKE-CQSZACIVSA-N 453.399 6.611 50 10 JKGE Cc1ccc([C@@H](Br)c2cc(Br)c(C)cc2Br)cc1F 128779303 YESUFWRNTNQCNJ-OAHLLOKOSA-N 450.971 6.452 50 10 JKGE Cc1cc([C@@H](Br)c2cc(Br)c(Br)s2)cc(C)c1F 128876938 HZTDFFOLJFQCHL-LLVKDONJSA-N 457.000 6.513 50 10 JKGE CCOc1cc(/C=C(/C#N)c2nc3ccccc3c(=O)[nH]2)ccc1OCc1cc(C)ccc1C 169939799 MLEYFIUMTLGEKO-STZFKDTASA-N 451.526 5.582 50 10 JKGE N#C/C(=C/c1ccc2noc(-c3ccccc3)c2c1)c1nc(-c2ccc3ccccc3c2)cs1 209401372 YIAJPQBUEMPKIY-OYKKKHCWSA-N 455.542 7.836 50 10 JKGE COc1ccc([C@H](Br)c2cc(Br)ccc2F)c(OC)c1Br 224848627 OPIUKBAUNXAQMX-ZDUSSCGKSA-N 482.969 5.852 50 10 JKGE O=[N+]([O-])c1ccc(C[C@@H](Br)c2cc(Br)sc2Br)cc1 232476652 WBIRLKMAGONBJY-SNVBAGLBSA-N 469.980 5.860 50 10 JKGE O=[N+]([O-])c1cccc(Br)c1Oc1ccc(CBr)cc1Br 232486842 PXNAELZGPXODDN-UHFFFAOYSA-N 465.923 5.807 50 10 JKGE Clc1ccc(Cl)c([C@H](Cl)c2cc(I)ccc2Br)c1 236031911 WDVZRNFAIDCVOB-CYBMUJFWSA-N 476.366 6.689 50 10 JKGE Clc1ccc([C@H](Br)Cc2cccc(Br)c2)cc1Br 236065679 KYIGHNUZFDWGHR-GFCCVEGCSA-N 453.399 6.544 50 10 JKGE Fc1cc(Cl)c([C@@H](Br)c2cc(Cl)ccc2I)cc1F 236210244 HSIWIRKIUHIQMS-CYBMUJFWSA-N 477.901 6.361 50 10 JKGE COc1ccc(N(C(=O)CCl)[C@H](C(=O)N[C@H]2CCCC[C@H]2C)c2ccccc2Cl)cc1 252587704 ZXVNHGMPOHYGQO-HNKPZJSLSA-N 463.405 5.357 50 10 JKGE COc1ccc(C(=O)NN=Cc2c(OC(=O)c3ccc(C)cc3)ccc3ccccc23)cc1OC 254821919 PTCRCSPKXGZXKP-UHFFFAOYSA-N 468.509 5.149 50 10 JKGE CCCCCCCCOc1ccc(-c2cc(C(=O)NN=Cc3ccc(C(=O)OC)cc3)[nH]n2)cc1 263630748 VBGRQOLBQGVBLU-UHFFFAOYSA-N 476.577 5.367 50 10 JKGE Oc1ccc(COc2c(Br)cc(Br)cc2CBr)cc1 311957131 KQABHKRORCVKRF-UHFFFAOYSA-N 450.952 5.391 50 10 JKGE C[C@H](Cl)c1nc2ccc(Cl)cc2n1CCCN(Cc1ccccc1)Cc1ccccc1 390579064 OZNOABDWRNIRJS-FQEVSTJZSA-N 452.429 7.082 50 10 JKGE Brc1ccc(Br)c([C@@H](Br)c2cscc2Br)c1 404793694 PRQOHBLBGRYYPR-LLVKDONJSA-N 489.852 6.520 50 10 JKGE CC(C)n1ccnc1COc1c(Br)cc(Br)cc1CBr 699588231 OEHBYGLGZSAGIA-UHFFFAOYSA-N 466.999 5.463 50 10 JKGE C[C@H](CC(C)(C)C)CC(CBr)(CBr)c1ccccc1Br 709071125 MGGCBOCBRGUSCO-CYBMUJFWSA-N 469.099 6.939 50 10 JKGE CCCC(CBr)(CCC)COc1ccc(OC)c(I)c1 712913062 CIGKXUYWCSHZIX-UHFFFAOYSA-N 455.174 5.660 50 10 JKGE Fc1cccc([C@@H](Br)Cc2cccc(Br)c2)c1I 721732379 SVCYBBPNAVXSBY-LBPRGKRZSA-N 483.944 5.872 50 10 JKGE O=C(NN=C1C(=O)N(Cc2cccc3ccccc23)c2ccccc21)c1cccc(Br)c1 1083997461 HJJZAGXYYZYBKF-UHFFFAOYSA-N 484.353 5.283 50 10 JKGE Fc1cc(C(F)(F)F)ccc1[C@H]1CN(Cc2ccccc2)C[C@H]1CI 1614627319 JYZXAMCJXNNCRX-PBHICJAKSA-N 463.256 5.495 50 10 JKGE CC(C)c1ccc2c(c1)CC[C@H]1[C@]2(C)CCC[C@@]1(C)CNC(=O)CCCC[C@H]1CCSS1 1615155689 CKUJQKQSBXESPV-GTFKBZATSA-N 473.792 7.651 50 10 JKGE CCc1cccc(C)c1NC(=O)[C@@H](C)Oc1cccnc1NC(=O)Nc1ccc(SC#N)cc1 1858846239 GTBYOFJUEFZTOW-QGZVFWFLSA-N 475.574 5.576 50 10 JKGE CCCc1nn(-c2cccc3ccccc23)c2c1[C@H](c1cccc(Br)c1)C(C#N)=C(N)O2 1865683264 BSODXQXFZLUDCI-HSZRJFAPSA-N 485.385 5.959 50 10 JKGE COc1ccc(-n2nc(-c3ccccc3)c3c2OC(N)=C(C#N)[C@H]3c2ccc(C(C)C)cc2)cc1 1865684888 BARPWWSICNAKJT-RUZDIDTESA-N 462.553 5.889 50 10 JKGE N#CC1=C(N)Oc2c(c(C(F)(F)F)nn2Cc2ccc(Cl)cc2)[C@H]1c1ccc(Cl)c(Cl)c1 1865685721 MALXSKBIYBLNNB-INIZCTEOSA-N 499.707 6.129 50 10 JKGE CCCOc1c(OC)cccc1[C@@H]1C(C#N)=C(N)Oc2c1c(CC)nn2Cc1cc(C)ccc1C 1865694367 XDTMJIPYSKUXBN-XMMPIXPASA-N 472.589 5.126 50 10 JKGE N#CC1=C(N)Oc2c(c(-c3ccccc3)nn2Cc2ccc(Cl)c(Cl)c2)[C@@H]1c1cccs1 1865698100 KRDMTQFTLRPRJR-FQEVSTJZSA-N 479.392 6.185 50 10 JKGE CSCC[C@H](NC(=O)[C@@H](C)c1ccc(Br)cc1)C(=O)Nc1ccc(SC#N)cc1 1866944666 SLPGHBIEFYBHRZ-LIRRHRJNSA-N 492.464 5.002 50 10 JKGE N#CSc1ccc(Nc2cc(N3CCC[C@@H]3Cc3ccc(Cl)cc3)nc(-c3cccnc3)n2)cc1 1868565045 GNQURRQKQLEIME-HSZRJFAPSA-N 499.043 6.720 50 10 JKGE CN(CC(C)(C)c1ccccc1)c1cc(Nc2ccc(SC#N)cc2)nc(-c2cccnc2)n1 1868565469 KKCGDMFASLFNIW-UHFFFAOYSA-N 466.614 6.269 50 10 JKGE Cc1c(OCc2ccc(CCl)cc2)ccc2c1O/C(=C\c1cc(Cl)cc3c1OCOC3)C2=O 1871436601 HCZMPCONBSXNTL-RMORIDSASA-N 483.347 6.449 50 10 JKGE CCOc1ccc(-c2csc(/C(C#N)=C(\O)[C@H](CC(C)C)N3C(=O)c4ccccc4C3=O)n2)cc1 1872747661 NWHWCPPFRHQQRW-HHUUSFLGSA-N 487.581 5.712 50 10 JKGE COc1cc(Cl)c(C)cc1-c1csc(/C(C#N)=C(\O)c2c(Cl)ccc(Cl)c2Cl)n1 1872757130 ROCKCSWCBGHYSD-ODLFYWEKSA-N 486.207 7.691 50 10 JKGE CCOc1ccc(/C=C(\C#N)c2nc(-c3cccc(Br)c3)cs2)cc1OCC 1872784105 CPGMLKKWJOZTIL-LICLKQGHSA-N 455.377 6.434 50 10 JKGE CCCOc1ccc(-c2csc(/C(C#N)=C/c3cc(Cl)ccc3O)n2)cc1OCCC 1872789997 DJVXMOCPYZHXRU-WOJGMQOQSA-N 454.979 6.811 50 10 JKGE N#C/C(=C\c1ccccc1OCc1ccccc1Cl)c1nc(-c2ccc(Cl)cc2)cs1 1872790288 XSIILMXSZJQZBG-DEDYPNTBSA-N 463.389 7.760 50 10 JKGE COc1cc(OC)c(-c2csc(/C(C#N)=C/c3cc(OC)c(OC)c(OC)c3)n2)cc1Cl 1872793456 ASHCTPWWAJARSK-MKMNVTDBSA-N 472.950 5.571 50 10 JKGE CCCOc1ccc(-c2csc(/C(C#N)=C(\O)CCc3ccc(Cl)cc3)n2)cc1OCCC 1872818321 XAQRBGBMHGSFNE-LNVKXUELSA-N 483.033 7.467 50 10 JKGE Cl[C@H](c1cc(Br)ccc1OCc1ccccc1)c1ncsc1Br 1899860840 HVQUZPFNXVYHIB-OAHLLOKOSA-N 473.617 6.575 50 10 JKGE COc1cc(C)c([C@@H](Br)c2cccc(I)c2)cc1Br 1901651059 AXCCJLONXMGREH-HNNXBMFYSA-N 495.980 5.855 50 10 JKGE CC(C)[C@H](CBr)N(Cc1ccccc1)c1ncc(Br)cc1Br 1915302030 XBEWHAXICACRSB-INIZCTEOSA-N 491.065 6.033 50 10 JKGE CN(C[C@@H](Br)COCc1ccccc1)c1ccc(C(F)(F)F)cc1Br 1916332052 AGEKCDPAONDYPJ-OAHLLOKOSA-N 481.150 5.884 50 10 JKGE Cl[C@H](c1nscc1Br)c1sc(Br)cc1Br 1922892337 RJVXOYQCLJZRBB-ZCFIWIBFSA-N 452.418 5.820 50 10 JKGE Clc1cc([C@H](Cl)c2c(Br)sc(Br)c2Cl)c(Cl)s1 1923039516 PAEKFPKAKNEWDC-YFKPBYRVSA-N 475.869 7.623 50 10 JKGE FC1(F)[C@H]2C[C@@H]([C@H](Br)c3c(Br)sc(Br)c3Cl)CC[C@H]21 1923068229 OOBSHVINLKXOBW-GCJQMDKQSA-N 499.440 7.044 50 10 JKGE COc1sc([C@@H](Cl)c2csc(Br)c2Br)cc1Br 1946722762 XRZIHCNSVPSVMA-QMMMGPOBSA-N 481.456 6.434 50 10 JKGE CN(c1c(CBr)ccc(Br)c1Cl)[C@@H]1CC[C@@H]1OCc1ccccc1 1950438290 WPTPMSHBIOYGNG-SJORKVTESA-N 473.636 6.181 50 10 JKGE CC(C)(C)OC(=O)Nc1c(Br)cc(Br)cc1C(F)(F)CBr 1951576716 MXQLONNBUFHUKN-UHFFFAOYSA-N 493.968 6.045 50 10 JKGE CC(C)(C)OC(=O)NCCSSCCNCc1ccc(Cl)cc1Br 2010825084 FNMDQUXRJFQFGP-UHFFFAOYSA-N 455.871 5.098 50 10 JKGE COc1cc(Br)c(C)cc1[C@H](Br)c1sccc1Br 2029253077 ZHBARTABOHITAS-LBPRGKRZSA-N 455.009 6.074 50 10 JKGE Cc1cc([C@H](Br)[C@H](C)c2ccncc2Br)c(Br)s1 2039498460 KGOWQOKTZRVRRI-PRHODGIISA-N 454.025 6.216 50 10 JKGE COC1CC(CC[C@H](Br)c2c(Br)sc(Br)c2Cl)C1 2042743706 ZHNHXKBDAHZSLZ-RRQHEKLDSA-N 481.475 6.568 50 10 JKGE COc1sc([C@@H](Br)c2c(Cl)cccc2Br)cc1Br 2050320336 SKKXHTGKBVIJKE-LLVKDONJSA-N 475.427 6.419 50 10 JKGE COc1c(Cl)cc(Cl)cc1-c1csc([C@H](C#N)C(=O)C(C#N)=Cc2ccccc2)n1 2084337303 CXTJEIDBYPGYJQ-QGZVFWFLSA-N 454.338 5.909 50 10 JKGE BrCc1c(Br)cccc1N1CC[C@@H]2CCN(Cc3ccccc3)C[C@H]2C1 2092524679 SGTIXZJUVPCCHF-OALUTQOASA-N 478.272 5.692 50 10 JKGE COc1ccc(OC)c([C@@H](Br)c2csc(Br)c2Br)c1 2093942034 JBDBBOVGTQFYML-LLVKDONJSA-N 471.008 5.775 50 10 JKGE C[C@@H]1[C@@H](Br)C[C@H]2CC[C@H]1N2C(=O)c1csc(Br)c1Br 2093947886 KILOJHWPSJKNJA-GTDKDYCYSA-N 472.040 5.050 50 10 JKGE Fc1cc(Cl)c(Br)cc1[C@H](Cl)c1cccc(F)c1I 2097823641 IKZGYEBJZYUULP-GFCCVEGCSA-N 477.901 6.314 50 10 JKGE C[C@@]12CN(Cc3ccccc3)C[C@@H]1CN(c1c(CBr)ccc(Br)c1Cl)C2 2098116485 IYTMADJIPIPEDU-UTKZUKDTSA-N 498.690 5.956 50 10 JKGE FC1(F)C[C@]12CCC[C@H]([C@@H](Br)c1cc(Br)c(Br)s1)C2 2099910380 DIZARQLPHWCGCF-HNBZJPLGSA-N 479.022 6.925 50 10 JKGE Cc1cc(Br)c([C@@H](Br)[C@H]2CCCC(C)(C)C2)cc1Br 2112309337 CQIWVFSQVYRBBN-NHYWBVRUSA-N 453.056 7.172 50 10 JKGE C[C@H](Cl)c1nc2cc(Cl)c(Br)cc2n1[C@@H](C)CCOCc1ccccc1 2112695953 KSPTULKIDBAVHD-KBPBESRZSA-N 456.211 6.920 50 10 JKGE CCCn1ncc(Br)c1C[C@H](Br)c1ccccc1Br 2113444094 IEZULMMBVLRUPP-LBPRGKRZSA-N 451.000 5.497 50 10 JKGE CC(C)(C)CN(Cc1ccccc1)S(=O)(=O)c1cc(Cl)cc(CBr)c1F 2123270623 YWECPHAONDIZQC-UHFFFAOYSA-N 462.812 5.611 50 10 JKGE BrCc1cc(Br)c(OC[C@@H]2CCCOCC2)c(Br)c1 2141840901 KBGWZTYOPKPYQU-SNVBAGLBSA-N 457.000 5.302 50 10 JKGE COc1cc([C@H](Br)c2cc(Br)sc2C)c(OC)cc1Br 2152046874 ADWXVSJYGUYJNS-CQSZACIVSA-N 485.035 6.083 50 10 JKGE CCn1cc(Br)c(COc2c(F)cc(Br)cc2CBr)n1 2181152251 VRCGTLOPCYGXFV-UHFFFAOYSA-N 470.962 5.041 50 10 JKGE FC1(F)C[C@@H](n2c(CCl)nc3cc(Br)cnc32)CN(Cc2ccccc2)C1 2184260874 QDCGKXHHASPQJZ-OAHLLOKOSA-N 455.734 5.015 50 10 JKGE Cc1c(Br)ccc([C@@H](Br)c2c(F)ccc(F)c2F)c1Br 2203690539 DUXZMEADHONJQF-CYBMUJFWSA-N 472.924 6.422 50 10 JKGE Fc1cc(Br)c(Br)cc1[C@@H](Br)c1cc(Cl)sc1Cl 2218597057 JTVLXYXEFQDKAL-SNVBAGLBSA-N 497.836 7.203 50 10 JKGE Brc1cccc(CN2C[C@@H](Br)CC23CCCC3)c1Br 2232270849 LVNQGNXTTXDHNA-LBPRGKRZSA-N 452.028 5.494 50 10 JKGE CCOCc1cc(Br)c([C@@H](Br)c2cc(Cl)cc(Cl)c2)s1 2233015289 GPDTZOZDKZHHNH-ZDUSSCGKSA-N 459.030 6.838 50 10 JKGE Fc1cc(Br)c(Br)cc1[C@H](Br)[C@H]1[C@@H]2[C@H]1CCCC2(F)F 2233974299 DSBYHKHKSBJXNV-BPFMKQPNSA-N 476.956 6.468 50 10 JKGE Cc1sc([C@@H](Br)c2ccc3c(c2Br)CCO3)c(C)c1Br 2238076096 HNIKTMTYKJCAIR-AWEZNQCLSA-N 481.047 6.309 50 10 JKGE CC(C)(C)OC(=O)N1CCC[C@@](CI)(OC[C@H]2CC[C@H](C)CC2)C1 2250266602 WJWDKZPLOWRBGC-BXWFABGCSA-N 451.389 5.034 50 10 JKGE C[C@@H]1[C@H]([C@H](Br)c2c(F)cc(Br)c(F)c2Br)C1(F)F 2260014602 QEHWFHGJOOLIDP-JVRWWNKZSA-N 454.881 5.827 50 10 JKGE COc1ccc([C@@H](Cl)c2ccc(Br)cc2C)cc1I 2269538973 CVVBSTGEZPPGKG-OAHLLOKOSA-N 451.529 5.699 50 10 JKGE CCc1cc([C@H](Br)c2cc(Br)c(F)cc2C)sc1Br 2270432647 AZMIEGZFBPHNSM-CYBMUJFWSA-N 471.027 6.767 50 10 JKGE Fc1cc(Br)c(F)c(Br)c1[C@H](Br)CC(F)(F)C(F)F 2272844200 VJQNRPHUFLISRN-SCSAIBSYSA-N 478.850 6.216 50 10 JKGE FC(F)(F)C1CC([C@H](Br)Cc2cc(Br)cc(Br)c2)C1 2277952634 HNLOFXHSJJCLMJ-SHVIVCPWSA-N 464.945 6.106 50 10 JKGE COc1cc(OC)c([C@@H](Br)c2cscc2Br)cc1Br 2278037512 SWIMGAPNBMQELI-CYBMUJFWSA-N 471.008 5.775 50 10 JKGE Fc1cc(Br)c(Br)cc1[C@@H](Br)[C@H]1CC(F)(F)C12CCC2 2280857368 NXWUXWSRBKXBAZ-PRHODGIISA-N 476.956 6.612 50 10 JKGE CCOc1ccc(C=C(C#N)C(=O)Nc2ncc(Cc3ccc(Cl)c(Cl)c3)s2)cc1 2293038548 KTRDQDRPOANUNB-UHFFFAOYSA-N 458.370 5.985 50 10 JKGE COc1ccc([C@@H](Br)Cc2cc(Br)cc(Br)c2)c(C)c1 2295265179 NYTHFIWZAKJZMR-INIZCTEOSA-N 463.007 6.207 50 10 JKGE COc1cc(F)ccc1[C@@H](Br)Cc1cc(Br)cc(Br)c1 2295333364 JKFSMWMLGGMHCM-AWEZNQCLSA-N 466.970 6.038 50 10 JKGE COC(=O)c1ccccc1NC(=O)C(C#N)=Cc1ccc(OCc2ccc(Cl)cc2)c(OC)c1 2295459656 KLDBPGUGULSCKR-UHFFFAOYSA-N 476.916 5.260 50 10 JKGE COc1ccc(-c2csc(C(C#N)=CNc3ccc4c(C(F)(F)F)cc(=O)oc4c3)n2)cc1OC 2295934333 DEEXGKHQMSKHSS-UHFFFAOYSA-N 499.470 5.929 50 10 JKGE Cc1ccc(-n2c(SCC(=O)NN=CC(Cl)=Cc3ccccc3)nnc2-c2ccccc2)cc1 2296679469 REDKXFWXKZQCFW-UHFFFAOYSA-N 488.016 5.717 50 10 JKGE COc1cc(C=C(C#N)c2nc3ccccc3[nH]2)ccc1Oc1ccc([N+](=O)[O-])cc1C(F)(F)F 2297298356 KIFNODIHJLWCOZ-UHFFFAOYSA-N 480.402 6.355 50 10 JKGE N#CC(=Cc1ccc(Sc2ncccn2)c([N+](=O)[O-])c1)C(=O)Nc1cccc(Cl)c1Cl 2297382124 FKOXTTQFNRXVHM-UHFFFAOYSA-N 472.313 5.388 50 10 JKGE COc1ccc2nc(Cl)c(C=C(C#N)c3nc(O)c4cc(Br)ccc4n3)cc2c1 2297398875 ZWNXJOZYVRCDTC-UHFFFAOYSA-N 467.710 5.372 50 10 JKGE CCOC(=O)c1ccc(-c2ccc(C=C(C#N)C(=O)Nc3ccc(Br)cc3F)o2)cc1 2297551607 UJVMSTBFOSPXNF-UHFFFAOYSA-N 483.293 5.571 50 10 JKGE N#CC(=C1SC=C(c2ccc(-c3ccccc3)cc2)N1c1ccccc1)c1nc2ccccc2[nH]1 2297565085 QEINNDOGMQCMFX-UHFFFAOYSA-N 468.585 7.674 50 10 JKGE C[C@@H](C1CCCC1)[C@@H](Br)c1ccc(OCc2ccccc2)cc1Br 2299507164 DTVAXZYQENNADB-YCRPNKLZSA-N 452.230 7.290 50 10 JKGE Clc1cc(I)c([C@H](Cl)Cc2ccccc2Br)s1 2300956171 WKPLRMJXYAOSPW-SECBINFHSA-N 461.977 6.291 50 10 JKGE CCOc1cc(C=C(C#N)C(=O)Nc2cc(Cl)ccc2Cl)ccc1OCc1ccc(F)cc1 2313630598 CIVLAVOZBKGLHH-UHFFFAOYSA-N 485.342 6.656 50 10 JKGE COC(=O)c1cccc(Cn2cc(C=C(C#N)C(=O)Nc3ccc(OC)cc3)c3ccccc32)c1 2313667758 VHFHTLOKMVJCEK-UHFFFAOYSA-N 465.509 5.030 50 10 JKGE Cc1ccccc1Oc1nc2c(C)cccn2c(=O)c1C=C(C#N)c1nc2ccccc2s1 2314436856 PUHBXAVJLINDCX-UHFFFAOYSA-N 450.523 5.778 50 10 JKGE Brc1ccc(OCc2ccccc2)c([C@@H](Br)C[C@H]2CCCC23CC3)c1 2314443826 IMDBELSGMGEOFJ-XLIONFOSSA-N 464.241 7.435 50 10 JKGE C[C@@H]1O[C@H](C)[C@H]([C@H](Br)c2ccc(OCc3ccccc3)cc2Br)[C@H]1C 2314447869 CHWNUJMGLIYRMQ-LZISQBTHSA-N 468.229 6.524 50 10 JKGE Brc1cc(OCc2ccccc2)ccc1[C@@H](Br)CC(C1CC1)C1CC1 2314454523 GYXWBGGHNKYPGI-QFIPXVFZSA-N 464.241 7.290 50 10 JKGE Brc1ccc(OCc2ccccc2)c([C@H](Br)[C@@H]2C[C@H]3O[C@H]2[C@H]2C[C@@H]23)c1 2314454604 HMUGMSWDPLPRHC-SCVOTXIRSA-N 464.197 5.888 50 10 JKGE Cc1cc(CBr)cnc1Oc1cc(Br)cc(I)c1 2316847887 UUKGOHSQZJRKHN-UHFFFAOYSA-N 482.941 5.444 50 10 JKGE COc1cc(C=C(C#N)S(=O)(=O)c2ccc(Cl)cc2)ccc1OCC(=O)Nc1ccc(C)cc1 2331030583 KVKINRWMEDAXNN-UHFFFAOYSA-N 496.972 5.013 50 10 JKGE N#CC(=C(O)c1ccccc1C(=O)c1ccccc1)c1nc(-c2cccc([N+](=O)[O-])c2)cs1 2331232511 DFGXKPXQSHLRKU-UHFFFAOYSA-N 453.479 5.899 50 10 JKGE CCc1ccc(-c2csc(C(C#N)=C(O)c3ccc4c(c3)C(=O)N(C3CCCCC3)C4=O)n2)cc1 2331245396 GQWAGRBDMVLPIN-UHFFFAOYSA-N 483.593 6.251 50 10 JKGE N#CC(=C(O)CCCCCNC(=O)c1ccccc1)c1nc(-c2ccc(Cl)cc2)cs1 2331300601 VMWACBHRBALVKH-UHFFFAOYSA-N 451.979 6.247 50 10 JKGE Cc1ccc(-c2csc(C(C#N)=C(O)C(=Cc3ccc(OC(C)C)cc3)c3ccccc3)n2)cc1 2331312464 YZNTTWTXUJTZBC-UHFFFAOYSA-N 478.617 7.939 50 10 JKGE CS(=O)(=O)Nc1ccc(C(O)=C(C#N)c2nc(-c3ccc(Oc4ccccc4)cc3)cs2)cc1 2331358857 VWJNMZLZIKZAAI-UHFFFAOYSA-N 489.578 5.924 50 10 JKGE CCOc1ccc(CC(O)=C(C#N)c2nc(-c3ccc(OC)c(OC)c3OC)cs2)cc1 2331411900 OGAICDRJTBLITR-UHFFFAOYSA-N 452.532 5.270 50 10 JKGE Cc1cc(-c2csc(C(C#N)=Cc3ccc(OCc4ccc(Cl)cc4Cl)cc3)n2)ccc1F 2331449075 JATDSJKPCYZOBC-UHFFFAOYSA-N 495.406 8.208 50 10 JKGE Cn1cc([C@H](Cl)c2c(F)cc(Cl)c(Br)c2Cl)nc1Br 2335278685 GANJODZAORFWEI-VIFPVBQESA-N 451.348 5.719 50 10 JKGE COCC1([C@@H](Br)c2cc(Br)ccc2OCc2ccccc2)CC(F)(F)C1 2336045531 XBKWLTUGNXVHFC-SFHVURJKSA-N 490.182 6.526 50 10 JKGE Fc1c(Br)cc(Cl)c([C@H](Br)CC2CCCCC2)c1Br 2337093021 ZOYWKJZBVNPDOH-SECBINFHSA-N 477.437 7.411 50 10 JKGE CCCc1ccc([C@H](Br)c2c(Br)c(Br)nn2C)cc1 2338722381 MGJFMEVFOULZSN-NSHDSACASA-N 451.000 5.382 50 10 JKGE COc1c(Br)cc(C)c([C@@H](Br)c2sccc2Cl)c1Br 2339690079 HLZOYMVBNQFGMX-LLVKDONJSA-N 489.454 6.728 50 10 JKGE Cc1cc(OCc2ccc(Cl)cc2I)ccc1CBr 2341047152 GBCWSVOWUMITKT-UHFFFAOYSA-N 451.529 5.727 50 10 JKGE Clc1ccc(C[C@]2(CBr)CCO[C@@H]2C2CC2)c(I)c1 2341053887 ZTKMPJWUCHFZOA-CABCVRRESA-N 455.561 5.067 50 10 JKGE FC(F)(F)c1cccc([C@H](Cl)c2cc(Br)ccc2OCc2ccccc2)c1 2361178449 OEBFRCJYNSZQLL-FQEVSTJZSA-N 455.701 7.375 50 10 JKGE O=C(c1cc(Br)c(Cl)s1)N1CC[C@H](Br)C[C@@H]1C(F)(F)F 2361461186 RHGDGNWFUFOGOX-YLWLKBPMSA-N 455.521 5.094 50 10 JKGE Cc1cc(Br)c(F)c(Br)c1[C@H](Br)[C@]12CCC[C@@H]1OCC2 2365221009 ZAVYWLDQFKLLFL-LKTVYLICSA-N 471.002 6.054 50 10 JKGE Fc1ccc([C@H](CBr)OCc2c(Br)cccc2Br)cc1 2366182612 JMQNCCQIJJWQSP-HNNXBMFYSA-N 466.970 6.004 50 10 JKGE Cc1sc([C@H](Br)CCc2cc(Cl)cc(Cl)c2)c(Br)c1C 2366904030 RWUZIOPQZFTVIK-CYBMUJFWSA-N 457.058 7.503 50 10 JKGE COCc1ccc([C@@H](Br)c2scc(C(F)(F)F)c2Br)s1 2367819575 PFETVFQGPIQVIW-SNVBAGLBSA-N 450.139 6.222 50 10 JKGE CC(C)(C)[C@@H]1CC[C@H]1[C@H](Br)c1c(Br)cc(Cl)c(Cl)c1Cl 2369056551 QHGBOXGOOKMEFC-RWYTXXIDSA-N 463.468 7.918 50 10 JKGE CC(C)(C)[C@H]1CC[C@@H]1COc1c(Br)cc(Br)cc1CBr 2369286262 FPCUJMQYKJWJMU-MFKMUULPSA-N 469.055 6.558 50 10 JKGE Cc1cc(C)c([C@H]2C(C#N)=C(N)Oc3n[nH]c(C)c32)cc1CSc1ccc(Br)cc1 691795 KVVNWJWHGKLKRJ-NRFANRHFSA-N 481.419 5.608 50 10 JKGE C=CCOc1ccccc1/C=C(/C#N)C(=O)Nc1ncc(Cc2ccc(Br)cc2)s1 1906051 LMCLPZBQAZAUAR-AQTBWJFISA-N 480.387 5.607 50 10 JKGE O=C1/C(=C/c2ccc3c(c2)CCN3CCCCl)C(O)=NC(=S)N1c1cccc2ccccc12 2589296 QDVPCSINLKLNET-LTGZKZEYSA-N 476.001 5.503 50 10 JKGE CCCCCCOc1ccc(Br)cc1C(=O)NNC(=O)c1ccccc1OCCC 14648377 VVTHJORRUXFYQS-UHFFFAOYSA-N 477.399 5.272 50 10 JKGE Cc1ccc(NC(=O)/C(C#N)=C2/S[C@@H](Cc3ccc(Cl)cc3)C(=O)N2c2ccc(F)cc2)cc1 33579571 JCBPSGINRFXOJK-GPSDDGMOSA-N 491.975 5.853 50 10 JKGE CCCCN1C(=O)C(C#N)=C(C)/C(=C\c2cn(-c3ccccc3)nc2-c2ccc(OCC)cc2C)C1=O 38603593 DHHIJOXAHGLUKL-YZSQISJMSA-N 494.595 5.639 50 10 JKGE C=CCOc1ccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)COc4cc(C)cc(C)c4)ccc32)cc1 38658199 ZGVJWKMNTJVMON-NDEPHWFRSA-N 482.536 5.071 50 10 JKGE N#CC1=C(N)Oc2cc(OC(=O)c3ccccc3F)ccc2[C@H]1c1cccc(OCc2ccccc2)c1 38686573 QBKZWNAITFUEMI-MUUNZHRXSA-N 492.506 5.842 50 10 JKGE C=CCOc1cccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4oc5cc(C)ccc5c4C)ccc32)c1 38701073 DHEVNJYUNUWWRN-HHHXNRCGSA-N 492.531 6.052 50 10 JKGE CCCCC1CCC(C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@H]3c2cccc(OCC)c2)CC1 38701236 BWQTXRCKAXQNIJ-IRQSHYTFSA-N 474.601 6.205 50 10 JKGE Cc1c(C(=O)Nc2ccc(Oc3ccccc3)cc2)oc2c1/C(=N/NC(=O)c1cccnc1)CCC2 40814089 QEWPOHSDKVVVDT-UQRQXUALSA-N 480.524 5.498 50 10 JKGE Cc1c(C(=O)Nc2ccc(Cl)cc2)oc2c1/C(=N/NC(=O)c1ccc3ccccc3n1)CCC2 40825892 OWUVYBYOXNLWAL-TWKHWXDSSA-N 472.932 5.512 50 10 JKGE CCCCOc1ccc(/C=C(\C#N)C(=O)Nc2nc(-c3cccc(Cl)c3)c(C)s2)cc1 40927368 LTURFASBAPGMFJ-CPNJWEJPSA-N 451.979 6.497 50 10 JKGE CCCOc1ccccc1/C=C(\C#N)C(=O)Oc1ccc(C(=O)Nc2cc(C)ccc2C)cc1 40949061 SJNGIODSSUYEJU-HAVVHWLPSA-N 454.526 5.857 50 10 JKGE N#C/C(=C/c1cn(Cc2ccc(Cl)cc2)c2ccccc12)C(=O)Nc1ccc(Cl)c(Cl)c1 59117594 NEGZTWWWQXVRRB-BOPFTXTBSA-N 480.782 7.195 50 10 JKGE COc1cccc(CC(=O)N/N=C/c2cc(Br)c(Sc3ccc(Cl)cc3)o2)c1 59250325 MGYROTKBSPATCQ-FSJBWODESA-N 479.783 5.548 50 10 JKGE 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 96030519 MFEGXCLQSLHLPH-OUZOIHDVSA-N 453.406 5.217 50 10 JKGE in-vitro O=C(N/N=C/c1ccc(Cl)cc1Cl)/C(=C/c1cccs1)NC(=O)c1ccccc1Cl 97371751 BOFZRIYDVPCKCS-MLEWHGIXSA-N 478.788 5.630 50 10 JKGE CC(=O)N(c1nc(/C=C\C(=O)c2ccc(O)c(CCCl)c2)cs1)c1cccc(C)c1C 98006619 OYROCUJRDMDZHQ-NTMALXAHSA-N 454.979 5.828 50 10 JKGE CCOc1ccc(N2C(=O)[C@@H](Cc3cccc(C)c3)S/C2=C(/C#N)C(=O)NCc2ccccc2)cc1 101241184 ZJKFDVSWJATLBZ-SJCFVWOQSA-N 497.620 5.136 50 10 JKGE Fc1cccc(COc2ccc(Br)cc2CBr)c1Br 156892880 AWOBIJRCRUIUJC-UHFFFAOYSA-N 452.943 5.825 50 10 JKGE COc1ccc([C@@H](Br)c2cc(Br)ccc2Br)c(OC)c1Cl 161125432 IGKFWKOPWHVDJZ-CYBMUJFWSA-N 499.424 6.367 50 10 JKGE Clc1ccc(CO[C@H](CI)c2ccccc2Br)cc1 162448127 MNJSTPMNWKDZOF-OAHLLOKOSA-N 451.529 5.795 50 10 JKGE CCCCOc1ccc(/C=N/NC(=O)c2cc(-c3ccccc3)nc(N3CCCCC3)n2)cc1 169927438 OBOUVTOKSJKPQP-VFCFBJKWSA-N 457.578 5.077 50 10 JKGE COc1cc(/C=C/C(=O)Oc2ccc(/C=C/C#N)cc2OC)ccc1OCc1ccccc1C 207196662 PWCRPOPWBPCPIA-QWPOMPHKSA-N 455.510 5.747 50 10 JKGE Cc1cc(Br)c([C@H](Br)c2ccc(F)c(Cl)c2)cc1Br 212861408 DQNVBRKCBFWRBK-CQSZACIVSA-N 471.389 6.797 50 10 JKGE Br[C@@H]1CC[C@H](c2ccccc2)C[C@@H]1Cc1ccc(I)cc1 227656932 DAAXAJYIQUGFHF-JENIJYKNSA-N 455.177 6.181 50 10 JKGE CCOc1ccc([C@@H](Br)Cc2ccc(Br)cc2)cc1Br 228996893 DXXXRZJBJLQZSO-AWEZNQCLSA-N 463.007 6.289 50 10 JKGE Brc1cc([C@@H](Br)Cc2nc3ccccc3o2)c(Br)s1 232478130 PCHHDQVBFFNJGE-QMMMGPOBSA-N 465.992 6.093 50 10 JKGE Cn1c(=O)oc2cc([C@@H](Br)c3cc(Br)sc3Br)ccc21 236104435 NROCJLXGQQQCDT-LLVKDONJSA-N 481.991 5.202 50 10 JKGE CC(=NNC(=O)[C@@H]1C[C@@H]1c1ccc(C(C)(C)C)cc1)c1cccc(NC(=O)c2cccc(F)c2)c1 254759641 WQTXVJPUASVZAC-CLJLJLNGSA-N 471.576 6.019 50 10 JKGE CCOC(=O)c1ccc(-n2c(C)cc(C=NNC(=O)c3cc4c(s3)CC[C@H](C)C4)c2C)cc1 254823844 RTEMNJSTVPUUKQ-INIZCTEOSA-N 463.603 5.221 50 10 JKGE COc1ccc(Br)cc1[C@@H](Br)c1cc(Cl)c(Br)s1 306108963 SPPAWXFDKVBWBW-LLVKDONJSA-N 475.427 6.419 50 10 JKGE Cl[C@H](c1cc2c(cc1Br)OCC2)c1sccc1I 308410321 CWYJEYFTCGWNKD-GFCCVEGCSA-N 455.542 5.378 50 10 JKGE C[C@H](Cl)c1nc2ccccc2n1-c1ccc(Br)c(I)c1 312607771 PTKGBFXDQMEYKP-VIFPVBQESA-N 461.528 5.692 50 10 JKGE ClCc1nc2cc(I)ccc2n1Cc1ccccc1OCc1ccccc1 313724024 WSXZZRFDVGGADF-UHFFFAOYSA-N 488.756 6.007 50 10 JKGE Oc1nc2cc([C@H](Br)c3cccc(OCc4ccccc4)c3)c(Br)cc2[nH]1 380549342 OZBFERJNOFBTOO-HXUWFJFHSA-N 488.179 6.094 50 10 JKGE COCc1cc(Br)c([C@@H](Br)c2cccc(Br)c2)s1 688087432 SKLYHQFKYUFVPB-LBPRGKRZSA-N 455.009 5.904 50 10 JKGE CC1(C)C[C@H](NC(=O)c2ccc(I)c(Cl)c2)C[C@H](Br)C1 693889597 FCPLTLDYBVSDSQ-WDEREUQCSA-N 470.576 5.017 50 10 JKGE COc1ccc([C@@H](Br)c2occc2Br)c(OC)c1Br 696528390 NRGDXIROHOMWPL-SNVBAGLBSA-N 454.940 5.306 50 10 JKGE ClCc1nc2cccc(Br)c2n1-c1cc(Br)cc(Br)c1 697675040 MZCYZZAFKGXSEG-UHFFFAOYSA-N 479.397 6.052 50 10 JKGE CN(Cc1cscc1Br)c1cc(Br)ccc1CBr 709990469 CJLOKGKKZRFNKF-UHFFFAOYSA-N 454.025 5.804 50 10 JKGE CC(C)(C)c1ccccc1OCC(=O)NN=Cc1cc(Br)ccc1OCc1ccccc1 725417628 OAYGAIHAGZBDMV-UHFFFAOYSA-N 495.417 5.855 50 10 JKGE COc1ccccc1OCC(=O)NN=Cc1c(Br)c(C)n(-c2ccc(C)c(C)c2)c1C 1084654631 NKDWODPOMZDRTL-UHFFFAOYSA-N 484.394 5.011 50 10 JKGE O=C(OCc1ccccc1)N1C[C@@H](CBr)[C@H](c2ccc(F)c(C(F)(F)F)c2)C1 1614624066 OORZGLQTQCYQEI-CVEARBPZSA-N 460.265 5.592 50 10 JKGE Cc1c(C(=O)N(Cc2ccccc2)Cc2ccccc2)oc2c1C(=NNC(=O)c1cccs1)CCC2 1772748400 CQVJQHGVHISESL-UHFFFAOYSA-N 497.620 5.963 50 10 JKGE N#CSc1ccc(NC(=O)Oc2cccc3c(NC(=O)c4ccc(Cl)cc4F)cccc23)cc1 1858780475 CROFFMNYODNNLI-UHFFFAOYSA-N 491.931 7.069 50 10 JKGE N#CC1=C(N)Oc2c(c(C(F)(F)F)nn2Cc2ccc(Cl)cc2)[C@@H]1c1cccc2ccccc12 1865681935 BDOXSWNYCKSBDI-HXUWFJFHSA-N 480.877 5.975 50 10 JKGE COc1ccc(-c2nn(Cc3cccc(Cl)c3)c3c2[C@H](c2cc(C)ccc2O)C(C#N)=C(N)O3)cc1 1865687577 VFFZOZPPFQLUKM-XMMPIXPASA-N 498.970 5.493 50 10 JKGE CCOc1cc([C@@H]2C(C#N)=C(N)Oc3c2c(CC)nn3CC(C)C)ccc1OCc1ccc(C)cc1 1865688068 IAIMBSQLNCARNV-AREMUKBSSA-N 486.616 5.606 50 10 JKGE C=CCOc1ccccc1[C@@H]1C(C#N)=C(N)Oc2c1c(-c1ccccc1)nn2-c1cccc(Cl)c1 1865690863 CWQCMZVSPQJPNT-XMMPIXPASA-N 480.955 5.976 50 10 JKGE CCCCOc1ccc([C@@H]2C(C#N)=C(N)Oc3c2c(CCC)nn3Cc2cccc(Cl)c2)cc1 1865692704 OUDMNEOFRYYEFQ-XMMPIXPASA-N 477.008 5.934 50 10 JKGE CCOc1ccc([C@H]2C(C#N)=C(N)Oc3c2c(-c2ccc(OC)cc2)nn3Cc2ccc(C)cc2)cc1 1865695697 RKZALHFOPKKFDV-SANMLTNESA-N 492.579 5.532 50 10 JKGE CSCC[C@@H](NC(=O)C[C@H](c1ccc(F)cc1)C(C)C)C(=O)Nc1ccc(SC#N)cc1 1866751749 BQASWDXKCBBTEH-FCHUYYIVSA-N 473.639 5.405 50 10 JKGE Cc1ccc(C)c2c1C[C@H](C)CN2c1cc(Nc2ccc(SC#N)cc2)nc(-c2cccnc2)n1 1868566202 WIEHAHWTWVHXHH-SFHVURJKSA-N 478.625 6.803 50 10 JKGE CC(C)OC(=O)c1ccc(/C(C#N)=C/c2ccc(-n3nc(-c4ccccc4)cc3-c3ccccc3)cc2)o1 1872728413 AMBVSOXCQXXMDP-LGUFXXKBSA-N 499.570 7.429 50 10 JKGE N#C/C(=C(/O)C(c1ccccc1)c1ccccc1)c1nc(-c2ccc(Cl)c(Cl)c2)cs1 1872748812 ORMCGQZDBXGDKW-CLCOLTQESA-N 463.389 7.742 50 10 JKGE CCOc1ccc(-c2csc(/C(C#N)=C(\O)COc3ccccc3OCC)n2)c(OCC)c1 1872755261 FUGGSSGCCAGJTB-VZCXRCSSSA-N 466.559 5.878 50 10 JKGE COc1ccc(OC/C(O)=C(\C#N)c2nc(-c3ccc(OC)c(Cl)c3)cs2)c(C(C)(C)C)c1 1872757785 WFPUADSTINKETH-FXBPSFAMSA-N 485.005 6.650 50 10 JKGE CCCCOc1ccc(/C=C(\C#N)c2nc(-c3ccc(Cl)cc3Cl)cs2)cc1OCC 1872781580 KJKQJESCQVMBIZ-GZTJUZNOSA-N 473.425 7.759 50 10 JKGE CCCOc1ccc(-c2csc(/C(C#N)=C/c3cccc(OCc4ccccc4)c3)n2)cc1 1872791116 WNEKTHMPKHKWTC-LFVJCYFKSA-N 452.579 7.242 50 10 JKGE COc1cc(C)c([C@@H](Br)c2ccc(I)cc2)cc1Br 1901654275 OMOSXIMXISZICP-HNNXBMFYSA-N 495.980 5.855 50 10 JKGE Brc1cccc([C@@H](CI)OCCCOCc2ccccc2)c1 1910509484 KEYAOCHHZSIWOX-GOSISDBHSA-N 475.164 5.549 50 10 JKGE BrC[C@H]1CN(Cc2ccc(Br)cc2Br)CC12CCC2 1914528301 GVLVVQKZUSMLAT-LBPRGKRZSA-N 452.028 5.209 50 10 JKGE CC1(C)C[C@@]1(C)[C@H](Br)c1c(Br)sc(Br)c1Cl 1923055110 OXGGZECGTDQXLO-HQJQHLMTSA-N 451.449 6.799 50 10 JKGE C[C@]1([C@@H](Br)c2c(Br)sc(Br)c2Cl)CCCO1 1923067244 AAMMNTKTYGYBAS-OIBJUYFYSA-N 453.421 5.932 50 10 JKGE Clc1cc([C@@H](Br)c2c(Cl)sc(Br)c2Cl)c(Cl)s1 1925571770 VMLNKMYTEJGACL-RXMQYKEDSA-N 475.869 7.670 50 10 JKGE Clc1sc(Br)c(Cl)c1[C@H](Br)[C@H]1COc2ccccc2O1 1925597402 DPACGFVCBXOEFR-PSASIEDQSA-N 458.986 6.093 50 10 JKGE Cn1ncc([C@H](Br)c2c(Cl)sc(Cl)c2Cl)c1I 1925597557 FWZFERGRKXBJKA-YFKPBYRVSA-N 486.387 5.531 50 10 JKGE Cc1cc(Br)sc1[C@@H](Br)c1sccc1I 1934771061 IXDGZTDHRPWFNS-MRVPVSSYSA-N 478.012 5.969 50 10 JKGE Cc1sc(Br)c([C@@H](Br)c2sccc2I)c1C 1993987920 IUJXHXBWBRZANN-SECBINFHSA-N 492.039 6.278 50 10 JKGE Fc1cc([C@H](Br)c2cc(I)sn2)c(F)cc1Br 2007645704 UEAMOMCFDUYGTJ-JTQLQIEISA-N 494.924 5.273 50 10 JKGE Clc1cccc(Br)c1[C@H](Cl)c1cc(Br)ccc1Br 2050313275 SMDJCVAWJFHBMR-CYBMUJFWSA-N 473.817 6.956 50 10 JKGE CC1(C)OCCC[C@@H]1[C@@H](Cl)c1c(Br)sc(Br)c1Br 2066883020 HRJRHBHSKYVVER-HZGVNTEJSA-N 481.475 6.521 50 10 JKGE Cc1cc(Br)c(CBr)c(N2C[C@@H]3[C@H](CCN3Cc3ccccc3)C2)c1 2068562522 OCNDHPOXZCYGGT-DYESRHJHSA-N 464.245 5.363 50 10 JKGE CCOc1ccc(C(F)(F)F)cc1-n1nc(CBr)c(Cl)c1C(F)(F)F 2079242781 DYBUGHCFTOZOQL-UHFFFAOYSA-N 451.592 5.857 50 10 JKGE Cc1sc(Br)c([C@@H](Cl)Cc2ccccc2I)c1C 2082870961 MGFJHCPNBJCTCL-NSHDSACASA-N 455.586 6.255 50 10 JKGE CC1(C)CC[C@H](CBr)N1C(=O)c1cc(Br)c(Br)s1 2084952590 SGIMFVYGDFSOTR-SSDOTTSWSA-N 460.029 5.051 50 10 JKGE CC(C)(C)C[C@@H](CBr)NC(=O)c1cccc(Br)c1Br 2092329104 RXDCFNYCMJSXIJ-VIFPVBQESA-N 456.016 5.141 50 10 JKGE Cc1cc(Br)c([C@H](Br)C[C@@H]2COC(C)(C)C2)cc1Br 2103185475 BVZYSWWTPWXEQY-IINYFYTJSA-N 455.028 6.161 50 10 JKGE Cc1cc(Br)c(C)c([C@@H](Br)CCCC(C)(F)F)c1Br 2136866308 CFDMRHXXRLPMFG-JTQLQIEISA-N 462.998 7.090 50 10 JKGE Cc1c(Br)ccc([C@H](Br)c2cc(Cl)ccc2F)c1Br 2138849582 FFYSTPAUDCNSMT-AWEZNQCLSA-N 471.389 6.797 50 10 JKGE Brc1ccc([C@H](Br)c2ccc3nsnc3c2)c(Br)c1 2138870538 JNFLFLYJOXGGPS-CYBMUJFWSA-N 462.992 5.701 50 10 JKGE CCc1ccc(CC)c([C@H](Br)c2c(Br)cccc2Br)c1 2150495627 YEZKPVONKNTAGV-KRWDZBQOSA-N 461.035 6.821 50 10 JKGE Cc1csc([C@@H](Br)c2cc3c(cc2Br)NC(=O)C3)c1Br 2157035298 IJMLKMIAXNDAEU-ZDUSSCGKSA-N 480.019 5.560 50 10 JKGE O=C(c1cc(Br)sc1Br)N1CCC[C@@H]2CC[C@H](Br)C[C@H]21 2167014499 WLSQBWKVJADGME-WCABBAIRSA-N 486.067 5.441 50 10 JKGE C[C@H](CCC(CBr)(CBr)c1ccc(Br)cc1)C(F)(F)F 2191533178 SFMRUCIQFNLFPU-SNVBAGLBSA-N 480.988 6.455 50 10 JKGE COc1cc(C)c([C@@H](Cl)c2ccc(F)cc2I)cc1Br 2198731903 CNXNKZOCDZLYER-HNNXBMFYSA-N 469.519 5.838 50 10 JKGE COc1cc(F)c([C@@H](Br)c2ccc(C)cc2Br)cc1Br 2202904962 YZAIWLBANCYUQL-HNNXBMFYSA-N 466.970 6.152 50 10 JKGE Cc1c(Br)ccc([C@H](Br)[C@]23CCCC[C@H]2CCC3)c1Br 2203690550 DXMPSUNMYHHPEJ-ZLIFDBKOSA-N 465.067 7.317 50 10 JKGE Fc1cc(F)c(OCc2ccc(I)c(Cl)c2)c(CBr)c1 2208036956 REPONUNGXSSAAH-UHFFFAOYSA-N 473.482 5.697 50 10 JKGE Brc1sc([C@@H]2CCCC[C@H](Br)C2)c(Br)c1Br 2212189341 KBNXDQMRSNZRIA-RQJHMYQMSA-N 495.900 6.847 50 10 JKGE CO[C@@H]1C[C@@H](Cl)C[C@@H]1c1sc(Br)c(Br)c1Br 2212199252 AOKGWIFLHDFHLF-HCWXCVPCSA-N 453.421 5.535 50 10 JKGE FC(F)(F)[C@@H]1CC[C@H]1[C@@H](Br)c1cc(Br)ccc1Br 2217670281 XDKNWGSFSQXOFX-BCMRRPTOSA-N 450.918 6.236 50 10 JKGE Clc1cc(Br)ccc1C[C@H](Cl)c1sc(Br)cc1Br 2221705050 WWOQEXGOALFYEV-JTQLQIEISA-N 493.873 7.212 50 10 JKGE Fc1ccc([C@@H](Br)c2cc(Br)c(Br)cc2F)cc1Cl 2225616980 KZXINPGOIQZNFU-CYBMUJFWSA-N 475.352 6.628 50 10 JKGE Cc1cc(Br)c([C@H](Br)[C@H]2[C@H]3CCCC[C@H]32)c(C)c1Br 2227351347 LNODGVCFZVHAHI-VAECKANCSA-N 451.040 6.701 50 10 JKGE CC1(C)CCCC[C@H]1[C@H](Br)c1c(Br)cc(Cl)c(Cl)c1Cl 2232514368 UUPKYXUEUJAHAF-UFBFGSQYSA-N 463.468 8.062 50 10 JKGE COc1cc(Br)c([C@H](Br)c2c(C)nn(C)c2Br)cc1C 2236019498 WPYKTGPNKYQOKG-ZDUSSCGKSA-N 466.999 5.055 50 10 JKGE Cc1cc(Br)c([C@H](Br)c2cccc(Br)c2)c(C)c1F 2264468898 OAZFFKIBECZNGF-CQSZACIVSA-N 450.971 6.452 50 10 JKGE Fc1cc([C@@H](Br)Cc2ncccc2Br)c(F)cc1Br 2267218589 XYXUACURQAAALT-VIFPVBQESA-N 455.922 5.564 50 10 JKGE Cc1cc(Br)cc([C@H](Cl)Cc2cc(Br)cc(Br)c2)c1 2277957142 SPOAUHHIOYXJHI-OAHLLOKOSA-N 467.426 6.805 50 10 JKGE COc1ccc([C@@H](Br)c2cc(F)cc(Br)c2)c(Br)c1Cl 2283560310 CMQUWFQRTIFKLL-LBPRGKRZSA-N 487.388 6.497 50 10 JKGE N#CC(=C(S)NC(=O)c1ccccc1)[P+](c1ccccc1)(c1ccccc1)c1ccccc1 2293027811 MVGDJVLLDNECLR-UHFFFAOYSA-O 465.538 5.033 50 10 JKGE Cc1c(C=C(C#N)C(=O)Nc2ccc(Cl)cc2)c2ccccc2n1Cc1ccc(Cl)cc1 2294171926 KDRYWROBBXMTDL-UHFFFAOYSA-N 460.364 6.851 50 10 JKGE FC1(F)CC[C@]2(C1)[C@@H](Br)C[C@H]2Oc1cc(I)ccc1Cl 2295123071 YTJDCDVWOPMOSL-XQQFMLRXSA-N 477.514 5.665 50 10 JKGE COC(=O)c1cc(C(C)C)sc1NC(=O)C(C#N)=Cc1cn(Cc2ccccc2C)c2ccccc12 2295669938 ORZBJKOSVDWBPE-UHFFFAOYSA-N 497.620 6.515 50 10 JKGE C[C@@H]1CCC[C@H]([C@@H](Br)c2cc(Br)ccc2OCc2ccccc2)O1 2299497715 XRQHGOZBKCKYIH-XMCHAPAWSA-N 454.202 6.422 50 10 JKGE CCn1cc([C@H](Cl)c2sc(Cl)cc2I)nc1Br 2300949242 JMDKNTHKLWOCSW-QMMMGPOBSA-N 465.969 5.313 50 10 JKGE CSc1ccccc1[C@H](Br)c1sc(Cl)cc1I 2301084901 YVPGNHVJTGUYQD-NSHDSACASA-N 459.599 6.212 50 10 JKGE CCN(C[C@@](C)(CI)O[C@@H]1CCCC2(CC2)C1)C(=O)OC(C)(C)C 2302707365 QMLDAUIHIRTFRY-CRAIPNDOSA-N 451.389 5.177 50 10 JKGE Cc1scc([C@H](Cl)c2c(Cl)sc(Br)c2Cl)c1Br 2303643850 KADJLYGCXJLSFQ-ZETCQYMHSA-N 455.451 7.278 50 10 JKGE C[C@H](CCCCCI)NCc1sc(Cl)cc1Br 2304891766 DWQTTXILAZJTHD-SECBINFHSA-N 450.611 5.638 50 10 JKGE COc1cc(C=C(C#N)C(=O)Nc2cc(C)ccc2C)ccc1OCc1ccc2c(c1)OCO2 2313560821 HWNSUSDTXMOYBH-UHFFFAOYSA-N 456.498 5.165 50 10 JKGE Cc1cc(C=C(C#N)c2ccc(Br)cc2)c(C)n1-c1cc(C(=O)O)cc(C(=O)O)c1 2313565154 VPQSTMPNPUWWLL-UHFFFAOYSA-N 465.303 5.317 50 10 JKGE C=CCc1cc(C=C(C#N)C(=O)Nc2ccc(C)cc2)cc(OC)c1OCc1cccc(C)c1 2313567589 ILHUVRRKYMNEHA-UHFFFAOYSA-N 452.554 6.165 50 10 JKGE N#CC(=Cc1ccc(OCc2ccc(Cl)c(Cl)c2)cc1)C(=O)Nc1ccccc1Cl 2313630567 BUGWQMWPZCLPKG-UHFFFAOYSA-N 457.744 6.771 50 10 JKGE N#CC(=Cc1cn(Cc2ccc(Cl)cc2Cl)c2ccccc12)C(=O)Nc1cccc(Cl)c1 2313631783 VNDKBODPGBAANL-UHFFFAOYSA-N 480.782 7.195 50 10 JKGE Fc1ccc([C@@H](Br)c2cc(Br)ccc2OCc2ccccc2)cc1Cl 2314449945 UZMGRTYQVIYFGX-HXUWFJFHSA-N 484.590 7.305 50 10 JKGE FC1(F)CCOC[C@H]1[C@@H](Br)c1cc(Br)ccc1OCc1ccccc1 2314462934 WKUFGMOVZVBQHH-WMZOPIPTSA-N 476.155 6.136 50 10 JKGE N#CC(=Cc1ccc(-c2ccc([N+](=O)[O-])cc2Cl)o1)C(=O)Nc1ccc(C(F)(F)F)c(Cl)c1 2314571896 OEEXISUBBHUUKC-UHFFFAOYSA-N 496.228 6.726 50 10 JKGE CCc1sc(Br)cc1[C@@H](Br)c1c(Br)nc(C)n1C 2315632183 YGGJLETYDRXAFG-SNVBAGLBSA-N 457.029 5.362 50 10 JKGE C[C@]12C[C@H](C1)[C@@H]([C@@H](Br)c1cc(Br)ccc1OCc1ccccc1)CO2 2315929249 FLHLOWYVDQWICE-CEDBRAGKSA-N 466.213 6.279 50 10 JKGE Clc1cc(I)c([C@H](Br)[C@@H]2CCCCC23CCC3)s1 2316607995 XIALIRPOTZFMDU-JOYOIKCWSA-N 459.618 6.803 50 10 JKGE CCN(CC)S(=O)(=O)c1ccc(C(=O)Oc2cccc(C=C(C#N)c3ccccc3F)c2)cc1 2318356308 OFRJMJIUSMEGSA-UHFFFAOYSA-N 478.545 5.140 50 10 JKGE COCc1ccc([C@H](Cl)c2c(Br)sc(Br)c2Br)s1 2319402644 CNSRIIWJEXTGOI-VIFPVBQESA-N 495.483 6.572 50 10 JKGE N#CC(=C(O)[C@@H]1CC(=O)N(Cc2ccccc2)C1)c1nc(-c2cccc3ccccc23)cs1 2331339130 JGEPQCOMQSNSJO-HXUWFJFHSA-N 451.551 5.805 50 10 JKGE CCOc1ccc(-c2csc(C(C#N)=C(O)c3cccc(Br)c3)n2)c(OCC)c1 2331386638 VIFRKKNOZWHUPI-UHFFFAOYSA-N 471.376 6.320 50 10 JKGE Cc1cc(C)c(-c2csc(C(C#N)=C(O)[C@H](C(C)C)N3C(=O)c4ccccc4C3=O)n2)c(C)c1 2331393229 YTIMDYKPMRIAAW-QHCPKHFHSA-N 471.582 5.849 50 10 JKGE COc1cc(C)c(-c2csc(C(C#N)=C(O)c3c(Cl)ccc(Cl)c3Cl)n2)cc1C 2331403027 SSLGKHXWJJZYHL-UHFFFAOYSA-N 465.789 7.346 50 10 JKGE FC(F)(F)c1ccc([C@@H](Br)c2ccc(OCc3ccccc3)cc2Br)o1 2336085807 HDPZSMNOBCUVOI-SFHVURJKSA-N 490.113 7.124 50 10 JKGE Fc1c(Br)cc(Cl)c([C@@H](Br)[C@@H]2C[C@@H]3CC[C@H]2C3)c1Br 2337089077 UCTGCTHOXATDKF-ZWADGADFSA-N 475.421 6.876 50 10 JKGE Cl[C@@H](c1c(Br)sc(Br)c1Br)[C@H]1C[C@H]2CCC[C@H]1CC2 2338741074 KYUWTNSQIUUGIX-PHGLEFOZSA-N 491.514 7.532 50 10 JKGE CCC[C@H](O[C@@](C)(CI)CN(CC)C(=O)OC(C)(C)C)c1ccccc1 2340542825 VSGYYRLZLQNWCA-RXVVDRJESA-N 475.411 5.995 50 10 JKGE Cc1ccc([C@@H](Cl)c2c(F)cc(Cl)c(Br)c2Cl)cc1Br 2360492437 HAQWAPFFROHKQD-CYBMUJFWSA-N 461.383 7.294 50 10 JKGE Cc1cccc([C@@H](Br)c2c(Cl)cc(Br)c(F)c2Br)c1F 2362229816 LUWCSLOYTQWMKX-LLVKDONJSA-N 489.379 6.936 50 10 JKGE Fc1c(Br)cc(Cl)c([C@H](Br)[C@H]2[C@H]3CCCCC[C@H]32)c1Br 2362236632 PUKYZBASKDLLEL-LVNATWPUSA-N 489.448 7.266 50 10 JKGE C[C@@H](Br)CN(CCC(C)(C)C)Cc1ccc(Cl)c(I)c1 2362375858 NYLMROSJWKZKED-GFCCVEGCSA-N 472.636 5.966 50 10 JKGE CC1(C)CCC(C)(C)[C@@H](Cc2ccc(Cl)c(I)c2)[C@H]1Br 2362438404 PKGXOYVKEKADCQ-SWLSCSKDSA-N 469.632 6.713 50 10 JKGE COCC1([C@@H](Br)c2c(C)cc(Br)c(F)c2Br)CCCC1 2365178347 IZKLNHWIDUDBEA-AWEZNQCLSA-N 473.018 6.302 50 10 JKGE COc1c(Br)cc(C)c([C@@H](Br)[C@@H]2CCC[C@@H]3C[C@@H]32)c1Br 2365190148 BTXUVIWJCJIBPH-PUHVVEEASA-N 467.039 6.401 50 10 JKGE COc1c(Br)cc(C)c([C@@H](Br)[C@@H]2C[C@H]2C(F)(F)F)c1Br 2365215598 LUDWBIUCKIWYFD-XSSZXYGBSA-N 480.944 6.163 50 10 JKGE COc1c(Br)cc(C)c([C@H](Br)[C@@H]2CC[C@H](OC)C2)c1Br 2365216154 RHHCTAKOWSULFW-GBIKHYSHSA-N 471.027 5.780 50 10 JKGE COc1c(Br)cc(C)c([C@H](Br)C2CCC(F)CC2)c1Br 2365238707 ZBONDSFGILYLRO-SRHKJQAYSA-N 473.018 6.493 50 10 JKGE CCOc1cccc(Oc2ccc(Br)cc2Br)c1CBr 2367477335 VHLKXOSVBHJWCX-UHFFFAOYSA-N 464.979 6.298 50 10 JKGE N#CC1=C(N)OC2=C(CC/C2=C/c2cccc(Br)c2)[C@@H]1c1cccc(Br)c1 1445421 XSZWMKLFBBGEQK-WKSDAVQWSA-N 484.191 6.151 50 10 JKGE O=C(N/N=C/c1ccc(-c2cccc(C(F)(F)F)c2)o1)[C@H]1CC1(c1ccccc1)c1ccccc1 3080110 WIMKUBQDBFMYAO-OLEKTWNESA-N 474.482 6.422 50 10 JKGE C/C(=N/NC(=O)c1ccc(CSc2nncn2C)cc1)c1ccc2c(c1)Nc1ccccc1S2 33500228 BRFJBXSCOFHZCD-NTFVMDSBSA-N 486.626 5.470 50 10 JKGE CCOc1ccc(C2=CS/C(=C(\C#N)c3nnc4n3CCCCC4)N2Cc2ccccc2)cc1 33690656 QJZLMUROXVTPJF-SLEBQGDGSA-N 469.614 5.843 50 10 JKGE N#C/C(=C/c1cccc(OCc2cccc3ccccc23)c1)C(=O)Nc1cc([N+](=O)[O-])ccc1F 33930425 UWRXQFHSRQQOJA-BKUYFWCQSA-N 467.456 6.012 50 10 JKGE CCCCCOc1cccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4ccc(OC)cc4)ccc32)c1 38684762 CAIQKEBEVRLDGX-HHHXNRCGSA-N 484.552 5.702 50 10 JKGE CCc1ccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4oc5ccc(Cl)cc5c4C)ccc32)cc1 38700449 WEXKFAUQVKYHOV-RUZDIDTESA-N 484.939 6.394 50 10 JKGE CCc1ccccc1NC(=O)c1oc2c(c1C)/C(=N/NC(=O)c1ccc(Cl)c([N+](=O)[O-])c1)CCC2 40813429 VCWGUXXFNQLGJZ-TURZUDJPSA-N 494.935 5.435 50 10 JKGE COc1ccc(C(=O)N/N=C2\CCCc3oc(C(=O)Nc4ccc(C)c(Cl)c4)c(C)c32)cc1 40813824 DKJIYVDREYPEAB-VFCFBJKWSA-N 465.937 5.281 50 10 JKGE CCOC(=O)c1c(NC(=O)N/N=C/c2cccc(Oc3ccccc3)c2)sc2c1CC[C@@H](C)C2 40851469 BGKPTDXKDHMNMC-AKBIMGJMSA-N 477.586 5.998 50 10 JKGE O=C(CCCNc1ccc(Cl)cc1)N/N=C(\C=C\c1ccc([N+](=O)[O-])cc1)c1ccccc1 59507768 DTSFQGSAJBUGGS-SFDSKYPQSA-N 462.937 5.674 50 10 JKGE CCN(Cc1ccccc1)c1ccc(/C=C(/C#N)c2nc3sc4c(c3c(=O)[nH]2)CC[C@@H](C)C4)cc1 95949637 INTAMBBWVKNYTJ-OSEFQUDUSA-N 480.637 6.200 50 10 JKGE CC[C@]1(C)[C@@H](Br)C[C@H]1Oc1c(Br)cc([N+](=O)[O-])cc1Br 97647105 MWGXRZSBFNWXGO-DMDPSCGWSA-N 471.971 5.451 50 10 JKGE ClCc1nc2cc(I)ccc2n1-c1cc(Cl)ccc1Br 125857915 LDUMAGPMBAMSAB-UHFFFAOYSA-N 481.946 5.785 50 10 JKGE CCOc1ccc([C@@H](Br)c2cc(Br)c(Br)s2)cc1 128293107 QMVACGJIEJXWJZ-GFCCVEGCSA-N 455.009 6.156 50 10 JKGE CSc1ccccc1[C@H](Br)c1cc(Br)c(C)cc1Br 128823019 LCQQLIKQGVIGTR-HNNXBMFYSA-N 465.048 6.726 50 10 JKGE Cc1cc([C@H](Br)c2c(F)cccc2Br)c(C)cc1Br 161211588 RQXZFZLUDIFNRF-HNNXBMFYSA-N 450.971 6.452 50 10 JKGE Cl[C@H](c1ccccc1I)c1csc2c(Br)cccc12 163365212 QUBRGJURWUEZPX-CQSZACIVSA-N 463.565 6.597 50 10 JKGE CCCOc1c(Cl)cc(/C=N\NC(=O)c2ccc3[nH]c4c(c3c2)C[C@@H](C)CC4)cc1Cl 169891375 DQWHADNFXIFCKD-ZFBNKNOKSA-N 458.389 6.152 50 10 JKGE CCCCCOc1ccc(/C=C\C(=O)Oc2ccc(/C=C(/C#N)c3ccccc3)cc2OC)cc1OC 206218410 FYSGFGXEPUYGKW-WDYDZLKTSA-N 497.591 6.956 50 10 JKGE CCCCOc1ccc(/C=C2\C(=O)N(Cc3ccc(F)cc3)C(=O)C(C#N)=C2C)cc1OCC 214410649 ZQIAZSJQWNUNCT-HMAPJEAMSA-N 462.521 5.196 50 10 JKGE CN(Cc1cc2ccccc2n1CCC(=O)O)N(C)C(=O)OCC1c2ccccc2-c2ccccc21 217636835 KSKWJZHTCMWUSR-UHFFFAOYSA-N 483.568 5.344 50 10 JKGE CCCOc1ccc([C@@H](Br)c2cccc(Cl)c2Cl)cc1Br 229007481 QJPAQHATQBBESE-OAHLLOKOSA-N 453.001 7.029 50 10 JKGE CC(C)COCCC(CBr)(CBr)c1ccccc1Br 232600510 XQFWHTKKVZDDGJ-UHFFFAOYSA-N 457.044 5.539 50 10 JKGE COc1cc(F)c(Br)cc1[C@H](Br)c1cccc(Br)c1 234915498 FOKNDXKCQQGLGC-CQSZACIVSA-N 452.943 5.844 50 10 JKGE CC(C)[Si](O[C@]1(C)C=CO[C@H](C[C@@H]2O[Si](C(C)C)(C(C)C)[C@@H]2C)[C@@]1(C)O)(C(C)C)C(C)C 248339975 UGWVLRFAANQPJW-JQSCXEDISA-N 484.870 7.545 50 10 JKGE CCOc1cc(C=NNC(=O)c2cc(Br)ccc2OC)ccc1OCc1ccc(C)cc1 252628290 SMUDMNNSGMLZGL-UHFFFAOYSA-N 497.389 5.508 50 10 JKGE O=C(NN=Cc1ccc(N2CCOCC2)cc1)c1ccc(CSc2nc3ccccc3s2)cc1 254625654 ZYZQIRJLAFSUOP-UHFFFAOYSA-N 488.638 5.189 50 10 JKGE Brc1cc2c(cc1[C@H](Br)c1sccc1I)CCO2 308421966 YHQJUQQAIGYXAZ-LBPRGKRZSA-N 499.993 5.534 50 10 JKGE Cc1ccc(Br)cc1[C@H](Br)c1scc(C(F)(F)F)c1Br 380095182 FHVIQJQEAHUOAV-JTQLQIEISA-N 492.980 7.085 50 10 JKGE C[C@H](COCc1ccccc1)n1c(CCCl)nc2cc(I)c(F)cc21 390555356 QDMYFHVKFRPLAV-CYBMUJFWSA-N 472.729 5.339 50 10 JKGE CC(C)(C)CCOCOc1c(Br)cc(Br)cc1CBr 392841428 CGSUYKNBNFYEJZ-UHFFFAOYSA-N 459.016 5.896 50 10 JKGE CC(C)CCCCCC(CBr)(CBr)c1ccc(Br)cc1 394878955 YSZBUMWOHWLYHP-UHFFFAOYSA-N 469.099 7.083 50 10 JKGE CN(C(=O)OC(C)(C)C)c1ccc([C@H]2CCN(CCO[Si](C)(C)C(C)(C)C)CCO2)cc1 616596486 WRQLWVIEIZOKKK-JOCHJYFZSA-N 464.723 5.843 50 10 JKGE CC(C)(C)OC(=O)NCCN1CCCCC[C@@H]1c1cccc(CCO[Si](C)(C)C(C)(C)C)c1 616606037 WRVBZXOXWKJBMS-XMMPIXPASA-N 476.778 6.693 50 10 JKGE CN(C(=O)OC(C)(C)C)c1cccc([C@H]2CCCCN(CCO[Si](C)(C)C(C)(C)C)C2)c1 616627540 KIZUBOIIZZVCRU-QFIPXVFZSA-N 462.751 6.649 50 10 JKGE COCc1cc(Br)c([C@H](Br)c2cc(Br)oc2C)s1 688089678 ASVMOPAZOHPHBP-LLVKDONJSA-N 458.997 5.805 50 10 JKGE Cc1cc([C@@H](Br)c2scc(Br)c2Br)c(C)cc1Cl 705439447 QILGSAHRBKPEIV-LLVKDONJSA-N 473.455 7.028 50 10 JKGE BrCc1cc(Br)ccc1N1CCCc2cc(Br)ccc21 713293435 LZKPTNQLAIIOJN-UHFFFAOYSA-N 460.007 6.191 50 10 JKGE O=C(N[C@H](CCBr)C1CCCC1)c1cc(Br)ccc1Br 725036853 IIOQLRIRHOROEK-CQSZACIVSA-N 468.027 5.285 50 10 JKGE COC(=O)c1ccc(-n2c(C)cc(/C=C(\C#N)C(=O)Nc3cccc(Cl)c3Cl)c2C)c(C)c1 1083964250 QNDPHEKOOKKUBH-XDHOZWIPSA-N 482.367 6.042 50 10 JKGE CCOc1cc(/C=C(/C#N)C(=O)Nc2cc(Cl)ccc2C)ccc1OCc1ccc(Cl)cc1 1083997323 RYCBLKOAKMUGMX-NDENLUEZSA-N 481.379 6.825 50 10 JKGE Cc1ccc(NC(=O)/C(C#N)=C\c2cc(Br)ccc2OCc2ccc(F)cc2)cc1 1084156847 ALSSIGAUADZGBU-UNOMPAQXSA-N 465.322 6.021 50 10 JKGE O=C(NN=Cc1ccc(OCc2ccccc2Cl)cc1)C(=O)Nc1cccc(C(F)(F)F)c1 1084214711 CSFHAMSSFSAZQQ-UHFFFAOYSA-N 475.854 5.027 50 10 JKGE N#C/C(=C/c1cccc(OCc2ccccc2Cl)c1)C(=O)Nc1cc(Cl)ccc1Cl 1084553047 CNQROOWJFPQXLP-YVLHZVERSA-N 457.744 6.771 50 10 JKGE CCCCCOc1ccc(C=NNC(=O)COc2ccc(C(C)(C)CC(C)(C)C)cc2)cc1OC 1772752853 MMCIQPHRHHRNTA-UHFFFAOYSA-N 482.665 6.507 50 10 JKGE CCCCCCOc1ccc([C@H]2C(C#N)=C(N)Oc3c2c(CCC)nn3CC(C)C)cc1OC 1865695470 DBLMATMTNFUWCK-DEOSSOPVSA-N 466.626 5.677 50 10 JKGE COc1ccc(-c2nn(Cc3ccc(F)cc3)c3c2[C@H](c2c[nH]c4ccccc24)C(C#N)=C(N)O3)cc1 1865700355 QRRDFOSISCRWAO-VWLOTQADSA-N 491.526 5.446 50 10 JKGE CCN(CC)c1ccc([C@H]2C(C#N)=C(N)Oc3c2c(-c2ccc(OC)cc2)nn3-c2ccccc2)cc1 1865701735 DAYYPKHHLCXPNY-SANMLTNESA-N 491.595 5.612 50 10 JKGE CCN(CC)c1ccc([C@H]2C(C#N)=C(N)Oc3c2c(-c2ccccc2)nn3Cc2ccccc2)cc1 1865702607 XRGJDNRPGBRUCG-SANMLTNESA-N 475.596 5.663 50 10 JKGE CCn1nc(C)c2c1OC(N)=C(C#N)[C@H]2c1ccc(OCc2ccc(Cl)cc2Cl)c(OC)c1 1865703596 CFVGJTJYXVUKRB-JOCHJYFZSA-N 485.371 5.324 50 10 JKGE N#CC1=C(N)Oc2c(c(-c3ccccc3)nn2-c2cccc3ccccc23)[C@H]1c1ccccc1C(=O)O 1865704369 ULBMQMFHDJMWMW-VWLOTQADSA-N 484.515 5.609 50 10 JKGE CCCn1nc(-c2ccc(OC)cc2)c2c1OC(N)=C(C#N)[C@H]2c1cccc(OCc2ccccc2)c1 1865712138 QCYWNXDXMJEYMK-AREMUKBSSA-N 492.579 5.766 50 10 JKGE CCC[C@@H](NC(=O)C[C@H](CC(C)C)c1ccc(F)cc1)C(=O)Nc1ccc(SC#N)cc1 1867097765 DZKDLZIHPRAKEO-WMZHIEFXSA-N 455.599 5.842 50 10 JKGE COc1cc2nc(/C(C#N)=C/c3cccc(OCc4ccccc4Cl)c3)nc(O)c2cc1OC 1872727749 XTBYSFNZHVWFFD-VCHYOVAHSA-N 473.916 5.649 50 10 JKGE Cc1ccc2nc(/C(C#N)=C/c3ccc(-n4nc(-c5ccccc5)cc4-c4ccccc4)cc3)[nH]c2c1 1872728245 STOCOUCOBNBDPC-LGUFXXKBSA-N 477.571 7.455 50 10 JKGE COc1ccc(C(C)(C)C)cc1-c1csc(/C(C#N)=C(\O)Cc2cccc3ccccc23)n1 1872751454 IMMARHALUKDXEA-BZZOAKBMSA-N 454.595 7.305 50 10 JKGE CC(C)(C)N1C[C@H](/C(O)=C(\C#N)c2nc(-c3ccc(Oc4ccccc4)cc3)cs2)CC1=O 1872753552 CPCIKGGSESBGNG-GOTYSUTNSA-N 459.571 6.042 50 10 JKGE COc1c(C)cc(C)cc1-c1csc(/C(C#N)=C(\O)c2c(Cl)ccc(Cl)c2OC)n1 1872754756 HGCADFOJYLNZFD-RGEXLXHISA-N 461.370 6.701 50 10 JKGE COc1cc(OC)c(-c2csc(/C(C#N)=C(\O)c3cc([N+](=O)[O-])cc([N+](=O)[O-])c3)n2)cc1Cl 1872756556 PQEDDYHVUVBVNM-RGEXLXHISA-N 488.865 5.247 50 10 JKGE N#C/C(=C(/O)c1ccccc1I)c1nc(-c2cc(Cl)ccc2Cl)cs1 1872758977 ZIAIBCLEORFDEQ-LGMDPLHJSA-N 499.160 6.671 50 10 JKGE COc1cc(/C=C(\C#N)c2nc(-c3ccc(Oc4ccccc4)cc3)cs2)ccc1OC(C)C 1872793198 MYSFBNHFZKPZAK-PXLXIMEGSA-N 468.578 7.462 50 10 JKGE C[C@H](CBr)N(Cc1ccccc1)Cc1cccc(Br)c1Br 1914347788 HQGHNUSFEGOQSX-CYBMUJFWSA-N 476.050 5.997 50 10 JKGE CCN(c1cccc(Br)c1CBr)[C@@H]1CCN(Cc2ccccc2)C1 1915068568 XTIRRKGDCPPYFP-QGZVFWFLSA-N 452.234 5.445 50 10 JKGE O=C(c1csc(Br)c1Br)N(Cc1ccccc1)[C@@H](CCl)C1CC1 1915153025 SKFLHCPDFVJKJM-AWEZNQCLSA-N 477.649 5.933 50 10 JKGE CC(C)[C@H](CCl)N(Cc1ccccc1)S(=O)(=O)c1cc(Cl)c(Br)s1 1915276450 PLLWPTITYZOGHM-AWEZNQCLSA-N 471.269 5.618 50 10 JKGE COCC(C)(C)N(Cc1ccccc1)S(=O)(=O)c1ccc(Cl)c(CCl)c1Cl 1915487051 RHZITFVKKLDPLG-UHFFFAOYSA-N 450.815 5.348 50 10 JKGE Fc1cccc(Cl)c1[C@H](Br)c1c(Br)sc(Br)c1Cl 1923054427 FJVOWBSTVAJNOD-QMMMGPOBSA-N 497.836 7.203 50 10 JKGE Fc1cc(Br)cc(F)c1[C@H](Br)Cc1ccncc1Br 1924057406 VGAUGAYZFXTTNN-SECBINFHSA-N 455.922 5.564 50 10 JKGE Cc1cc(Br)c(F)c([C@@H](Br)c2c(Cl)sc(Cl)c2Cl)c1 1925561326 NHYAUGYSOAXYOL-MRVPVSSYSA-N 467.412 7.403 50 10 JKGE Brc1sc(Br)c([C@@H](Br)C[C@@H]2CC23CC3)c1Br 1995403074 NLRUSURCTCKWPJ-RITPCOANSA-N 493.884 6.662 50 10 JKGE Cc1sc(Br)c([C@H](Br)c2c(Cl)sc(Cl)c2Cl)c1C 2039502946 MAFOAMMMWZWELG-ZETCQYMHSA-N 469.478 7.633 50 10 JKGE O=S(=O)(c1cc(Cl)cc(CBr)c1Cl)N(Cc1ccccc1)CC1CC1 2059314205 IDGAFASFICKOOY-UHFFFAOYSA-N 463.224 5.489 50 10 JKGE Cc1cc(Cl)c(Br)cc1[C@@H](Br)c1cc(Br)oc1C 2082381551 FVKUFWITHVMXMF-CYBMUJFWSA-N 457.387 6.559 50 10 JKGE COc1cc(F)c([C@H](Br)c2cc(Br)sn2)cc1Br 2082783104 QGHKTWXACSPKPF-NSHDSACASA-N 459.960 5.300 50 10 JKGE CC(C)(C)c1ccc([C@@H](Br)c2cccc(Br)c2Br)s1 2092329634 YQSJXYWBBWEMOG-AWEZNQCLSA-N 467.064 7.055 50 10 JKGE BrC[C@@]1(Cc2cccc(Br)c2Br)CCO[C@H]1C1CC1 2092335758 QGRYUTQLQFGUPE-GJZGRUSLSA-N 453.012 5.334 50 10 JKGE O=C(N[C@H](CCBr)C1CCCC1)c1csc(Br)c1Br 2093947467 XCNDYMYPVFWETC-SNVBAGLBSA-N 474.056 5.347 50 10 JKGE C[C@@H]1CN(Cc2ccccc2)C[C@@H](C)N(c2c(CCl)ccc(Br)c2Cl)C1 2098117285 NXFSODYIOLRVFY-HZPDHXFCSA-N 456.255 6.188 50 10 JKGE Clc1ccc(I)c(CC[C@H](Br)CC2CCCCC2)c1 2099493672 XMJIAIGINZCXDJ-AWEZNQCLSA-N 455.605 6.611 50 10 JKGE Clc1cc([C@H](Br)Cc2c(Cl)cccc2Cl)ccc1I 2104781947 LCPPQLSFSPJMED-SNVBAGLBSA-N 490.393 6.930 50 10 JKGE CCc1nc([C@@H](Br)c2ccc(F)c(Br)c2F)c(Br)s1 2113185115 MRPQHQZZZPYDLA-QMMMGPOBSA-N 475.978 5.993 50 10 JKGE CC(C)[C@H](C)N(Cc1ccccc1)S(=O)(=O)c1cc(Cl)cc(CBr)c1F 2123269419 IQQBWEVWYBJZSQ-AWEZNQCLSA-N 462.812 5.609 50 10 JKGE CCCN[C@H](c1ccc(Br)c(C)c1Br)[C@H]1C[C@H](Br)C1 2138872892 VFUATXNBSKOTCS-PGUXBMHVSA-N 454.044 5.734 50 10 JKGE C[C@H]1CN(Cc2ccc(I)c(Cl)c2)CC[C@H]1CCBr 2142942073 AIBBWWQLUCJWQO-WCQYABFASA-N 456.593 5.188 50 10 JKGE ClC[C@@H](Cc1ccc(Br)cc1)Cc1cccc(Br)c1Br 2148752124 MVSZOZDGSVUERZ-LBPRGKRZSA-N 481.453 6.614 50 10 JKGE CCn1ncc(Br)c1[C@H](Br)c1cc(Br)c(F)cc1OC 2150669183 TVGRFSNJSXEJLN-GFCCVEGCSA-N 470.962 5.060 50 10 JKGE COc1ccc(C[C@H](Br)c2c(Br)cccc2Br)cc1F 2168407517 BSWNNLBQMHSEDX-LBPRGKRZSA-N 466.970 6.038 50 10 JKGE CCc1cc([C@H](Br)c2cc(I)ccc2F)c(F)cc1F 2175401426 DJAHYBHWYBSTIF-HNNXBMFYSA-N 455.055 5.755 50 10 JKGE O=C(NCC1(F)CCC(CBr)CC1)c1csc(Br)c1Br 2178579245 JHYZRYOYKKDNNZ-UHFFFAOYSA-N 492.046 5.296 50 10 JKGE F[C@@]12CCC[C@@]1(CBr)CN(Cc1ccc(I)c(Cl)c1)C2 2208028808 GSQUSWDOVHHZPZ-HUUCEWRRSA-N 472.567 5.034 50 10 JKGE CO[C@@H]1C[C@H](Br)C[C@@H]1c1sc(Br)c(Br)c1Br 2212200698 PBMKDZHJYUQQEC-NGJCXOISSA-N 497.872 5.692 50 10 JKGE Cl[C@@H](Cc1sc(Br)c(Br)c1Br)CN1CCCC1 2216421878 SXVVTTKJWNPPQH-ZETCQYMHSA-N 466.464 5.281 50 10 JKGE Cc1cc(Br)c([C@@H](Br)Cc2ccc(Br)cc2Cl)s1 2221699180 FGJAHJMDENJLIZ-NSHDSACASA-N 473.455 6.914 50 10 JKGE CO[C@H]1C[C@@H](C[C@H](Br)c2c(Br)cc(Cl)c(Cl)c2Cl)C1 2224304058 FCJCJSBBPDMRBJ-RNJXMRFFSA-N 451.413 6.660 50 10 JKGE Cc1sc(Br)cc1[C@H](Cl)c1c(Br)cc(Cl)c(Cl)c1Cl 2224318606 YFJMVSVZTDKWCN-JTQLQIEISA-N 483.867 7.870 50 10 JKGE COc1cc(F)cc([C@H](Br)c2sc(Br)c(C)c2Br)c1 2226031803 CLFPCOYGVDUWME-NSHDSACASA-N 472.999 6.214 50 10 JKGE Cc1cc(Br)c([C@H](Br)[C@H]2CCCC2(C)C)c(C)c1Br 2227346407 CVOINIQMCDLZER-IAQYHMDHSA-N 453.056 7.091 50 10 JKGE CC(C)(C)OC(=O)N1CCC[C@](CI)(OC2C3CC4CC(C3)CC2C4)C1 2230445200 MAFJUQDITICMBV-AMSLAILPSA-N 475.411 5.032 50 10 JKGE CO[C@@H]1CC([C@@H](Br)c2cc(Br)c(Br)cc2F)C[C@H]1OC 2233975966 MOSMDPZSEVTBGN-MGPQQGTHSA-N 474.990 5.227 50 10 JKGE Cc1cc(F)ccc1[C@H](Br)c1c(Br)cc(C)c(Br)c1C 2235603597 KDMKCDLLMWWUCS-INIZCTEOSA-N 464.998 6.760 50 10 JKGE Cc1cc(Br)c([C@H](Br)CC2CC3(CCC3)C2)c(C)c1Br 2235604956 IBKJSWFHKYNPEP-CQSZACIVSA-N 465.067 7.235 50 10 JKGE Cc1cc(Br)c([C@H](Br)C23CCCC2CCC3)c(C)c1Br 2235608092 ILRGNZYYFDCHAB-PDOTXMHQSA-N 465.067 7.235 50 10 JKGE Cc1cc([C@@H](Br)[C@@H](C)c2ccncc2Br)cc(C)c1Br 2235678998 YUDABQFWBRPQSH-ZBEGNZNMSA-N 462.023 6.463 50 10 JKGE CC(C)c1cc(Br)cc(C(=O)N(Cc2ccccc2)C(C)(C)CBr)c1 2254759202 BIFUIADTCOVDFF-UHFFFAOYSA-N 467.245 6.388 50 10 JKGE COc1ccc([C@@H](Br)c2ccc(F)c(Cl)c2)cc1I 2269546321 SENGOLSYJWJQOX-AWEZNQCLSA-N 455.492 5.577 50 10 JKGE CCCCO[C@H]1[C@@H](Oc2cc(I)ccc2Cl)C[C@H]1Br 2272639390 PFDFWTDWPDYONX-DDTOSNHZSA-N 459.549 5.045 50 10 JKGE Fc1cc(Br)c(F)c(Br)c1[C@@H](Br)c1ccc(Cl)cc1 2272739383 LXYNZCKKKHXQJW-NSHDSACASA-N 475.352 6.628 50 10 JKGE Cc1cc(Br)c([C@H](Br)CCC2CC(C)C2)c(C)c1Br 2274619242 HRBDUDUQGFMVGE-UTVJUBTNSA-N 453.056 7.091 50 10 JKGE CC1(C)CC12CC([C@H](Br)Cc1cc(Br)cc(Br)c1)C2 2277952152 CRCPNCFEFXQSRH-OFWKBQFLSA-N 451.040 6.344 50 10 JKGE Cc1ccc(Cc2cnc(NC(=O)C(C#N)=Cc3ccc(-c4ccc(F)cc4)o3)s2)cc1Cl 2293038587 NEQLVMDKXQXRKE-UHFFFAOYSA-N 477.948 6.641 50 10 JKGE N#CC(C(=O)NCc1ccccc1)=C1S[C@@H](Cc2cccc(Cl)c2)C(=O)N1c1ccc(F)cc1 2293039165 KHADTKVHOWSOBV-QHCPKHFHSA-N 491.975 5.222 50 10 JKGE Cc1ccc(NC(=O)C(C#N)=Cc2cc(C)n(-c3ccc(OCc4ccccc4F)cc3)c2C)cc1 2294175279 RLADPOFLKPVOCX-UHFFFAOYSA-N 479.555 6.666 50 10 JKGE CCOC(=O)c1c(-n2c(C)cc(C=C(C#N)C(=O)Nc3ccc(F)cc3)c2C)sc2c1CCCC2 2294581285 AHOHHHHHHXKHEY-UHFFFAOYSA-N 491.588 5.896 50 10 JKGE FC(F)(F)[C@@H]1CC[C@H]([C@H](Br)Cc2cc(Br)cc(Br)c2)C1 2295336218 STZNUJHDEHNFFL-OPQQBVKSSA-N 478.972 6.496 50 10 JKGE Cc1ccc(S(=O)(=O)C(C#N)=Cc2c(Oc3ccccc3Cl)nc3c(C)cccn3c2=O)cc1 2296542734 GORANMZSEAXXOU-UHFFFAOYSA-N 491.956 5.095 50 10 JKGE N#CC(=CC1=C(N2CCOCC2)C(=Cc2ccccc2)CC1)C(=O)Nc1ccc(SC(F)F)cc1 2297399237 QMLDRRRBFZBFHZ-UHFFFAOYSA-N 493.579 5.853 50 10 JKGE COc1cc(C=C(C#N)C(=O)Nc2nc3ccccc3s2)ccc1OCCOc1ccccc1C 2297499637 RCHTYIFFPHACMS-UHFFFAOYSA-N 485.565 5.617 50 10 JKGE C#CCOc1ccc(C=C(C#N)C(=O)Nc2cc(Cl)ccc2Cl)cc1Br 2297638656 PVLBSRDKJDPJQU-UHFFFAOYSA-N 450.119 5.314 50 10 JKGE Fc1c(Br)cccc1[C@H](Cl)c1sc(Cl)cc1I 2300955416 LZPBCRFEHIKNEZ-VIFPVBQESA-N 465.940 6.236 50 10 JKGE Clc1cc(I)c([C@@H](Cl)Cc2cccc(Br)c2)s1 2301084452 TWFDGHHJOWHBQT-VIFPVBQESA-N 461.977 6.291 50 10 JKGE C[C@H]1C[C@H]([C@H](Br)c2cc(Br)ccc2OCc2ccccc2)C[C@@H](C)O1 2314451617 GSNQQTQRJDEXAM-KJOVKWNASA-N 468.229 6.668 50 10 JKGE Brc1ccc(OCc2ccccc2)c([C@@H](Br)C[C@H]2CCCOCC2)c1 2314454531 HBKCCHMASVJWPI-JXFKEZNVSA-N 468.229 6.671 50 10 JKGE C[C@H]1C[C@H]([C@@H](Br)c2ccc(OCc3ccccc3)cc2Br)C[C@@H](C)O1 2314456333 WKQZBZANZOITKC-ICDONNSOSA-N 468.229 6.668 50 10 JKGE N#CC(=Cc1cn(-c2ccccc2)nc1C12CC3CC(CC(C3)C1)C2)C(=O)NCc1ccccc1 2314476572 QYZZHFXKZFKIBG-UHFFFAOYSA-N 462.597 5.563 50 10 JKGE Brc1ccc(OCc2ccccc2)c([C@H](Br)C2(CC3CCC3)CC2)c1 2314491303 NVNKETNVNPDMLN-NRFANRHFSA-N 464.241 7.435 50 10 JKGE Fc1ccc(Cl)cc1[C@@H](Br)c1ccc(OCc2ccccc2)cc1Br 2314499421 CIJFTKWDTNIQIG-FQEVSTJZSA-N 484.590 7.305 50 10 JKGE Cc1ccc(Oc2nc3c(C)cccn3c(=O)c2C=C(C#N)C(=O)Nc2ccccc2C)c(C)c1 2314533915 VFMKRFZOQRCPRH-UHFFFAOYSA-N 464.525 5.266 50 10 JKGE N#CC(=Cc1ccc2noc(-c3ccc(Cl)cc3)c2c1)C(=O)Nc1ccc(OC(F)(F)F)cc1 2314572232 WLLVFHYLMRZOHK-UHFFFAOYSA-N 483.833 6.592 50 10 JKGE N#CC(=Cc1ccc(OC(=O)COc2ccccc2-c2ccccc2)cc1)C(=O)NCc1ccco1 2314760709 YSVZVRZNOBPVSC-UHFFFAOYSA-N 478.504 5.154 50 10 JKGE CCCC1CCC([C@H](Br)c2sc(Cl)cc2I)CC1 2316770064 DQOUJUKQTQDTNQ-ZPPKWKGLSA-N 461.634 7.049 50 10 JKGE COc1cc(C=C(C#N)c2cccc(Cl)c2)ccc1OC(=O)C=Cc1ccc(C(C)C)cc1 2320506756 QUMNRTLJVRGFBM-UHFFFAOYSA-N 457.957 7.155 50 10 JKGE COc1c(Cl)cc(C=NNC(=O)c2ccc3nc(-c4ccccc4O)[nH]c3c2)cc1Cl 2323739715 HYXDRLFBOCOHIP-UHFFFAOYSA-N 455.301 5.015 50 10 JKGE COc1ccc2c(c1)c(C=C1Oc3c(ccc(OCc4cccc(CCl)c4)c3C)C1=O)cn2C 2325361160 VHHZBDMFCHIZLI-UHFFFAOYSA-N 473.956 6.429 50 10 JKGE CCCCOC(=O)c1ccccc1NC=C(C#N)C(=O)NC1CCCCCCCCCCC1 2325474535 QSHIJIOUFADIBJ-UHFFFAOYSA-N 453.627 6.252 50 10 JKGE COc1cc(C=C(C#N)c2ccc(Cl)cc2F)ccc1OCC(=O)Nc1ccc(C)cc1C 2331063917 QAZSKRYBCXFVCX-UHFFFAOYSA-N 464.924 6.186 50 10 JKGE CCn1c(C(C#N)=Cc2ccc(OC(=O)c3ccc(Cl)cc3Cl)c(OC)c2)nc2ccccc21 2331071899 YQMMBWCJDWATEP-UHFFFAOYSA-N 492.362 6.655 50 10 JKGE CCCOc1ccc(-c2csc(C(C#N)=C(O)c3ccccc3I)n2)cc1 2331318697 QJWVSYUZFJFIJE-UHFFFAOYSA-N 488.350 6.153 50 10 JKGE Cc1ccc(C)c(-c2csc(C(C#N)=C(O)[C@H](CC(C)C)N3C(=O)c4ccccc4C3=O)n2)c1 2331319703 ZDNBGDYFQYEFSD-QHCPKHFHSA-N 471.582 5.931 50 10 JKGE COc1ccc(C(C)(C)C)cc1-c1csc(C(C#N)=C(O)COc2c(C)ccc(C)c2C)n1 2331350757 RBVAVXWZJPSFTB-UHFFFAOYSA-N 462.615 6.913 50 10 JKGE COc1ccc(C(C)(C)C)cc1-c1csc(C(C#N)=C(O)c2cccc(OCC(C)C)c2)n1 2331351151 VNUJGXWJVSJNNH-UHFFFAOYSA-N 462.615 7.101 50 10 JKGE COc1cc(C=CC(O)=C(C#N)c2nc(-c3ccc(Cl)s3)cs2)ccc1OC(C)=O 2331402109 PTUOMPJYHJTNPK-UHFFFAOYSA-N 458.948 5.965 50 10 JKGE Fc1cc(Br)c(F)c(Br)c1[C@@H](Br)[C@@H]1C[C@@H]2CC[C@H]1O2 2334719053 BJMYIYRNQKQWIU-QUYDWZKXSA-N 460.938 5.493 50 10 JKGE Brc1ccc(OCc2ccccc2)c([C@@H](Br)[C@@H]2COc3ccccc32)c1 2336046123 BJSSYDZFAICHDF-DENIHFKCSA-N 474.192 6.640 50 10 JKGE CC[C@@H](c1ccccc1)[C@@H](Br)c1cc(Br)ccc1OCc1ccccc1 2336049119 ZWQHCYMOLLHDBK-NZQKXSOJSA-N 474.236 7.658 50 10 JKGE Fc1c(Br)cc(Cl)c([C@H](Br)CC[C@@H]2CCOC2)c1Br 2337080623 KRORSKOYVQROSQ-HTQZYQBOSA-N 479.409 6.257 50 10 JKGE Fc1c(Br)cc(Cl)c([C@@H](Br)C2(CC3CC3)CC2)c1Br 2337085817 DOHJCIKQIWUWAV-CYBMUJFWSA-N 475.421 7.020 50 10 JKGE C[C@@H]([C@H](Br)c1c(Cl)cc(Br)c(F)c1Br)[C@H]1CCCO1 2337105397 XIUHOWGXJCQEBM-CGYDSVCVSA-N 479.409 6.255 50 10 JKGE Clc1ccc(CN2CC[C@@H]3C[C@@H](Br)CC[C@H]32)cc1I 2337223957 SUFZNNCGXWQOEV-TYNCELHUSA-N 454.577 5.083 50 10 JKGE FC(F)(F)C12CC([C@H](Br)c3cc(Br)sc3Br)(CO1)C2 2338578099 KIMOXAGFFZOYDP-CUUXFQNZSA-N 484.957 5.821 50 10 JKGE Cc1nc([C@@H](Cl)c2c(C)cc(Br)c(F)c2Br)c(Br)s1 2339658859 MOBRBNMBZCVSEK-VIFPVBQESA-N 492.433 6.515 50 10 JKGE Cc1c(Br)ccc([C@@H](Br)C23CC(C[C@H](C)O2)C3)c1Br 2342245408 XNQLEBLCEDPLCG-RGSZJNQCSA-N 453.012 5.914 50 10 JKGE ClC[C@H]1CCC2(CC2)CN1Cc1ccc(I)c(Br)c1 2349856125 NXTKDMKWGQLKRL-GFCCVEGCSA-N 454.577 5.037 50 10 JKGE ClCc1ccnc(OCc2ccc(I)c(Br)c2)c1Cl 2350072600 BFQUHWCKJOENAW-UHFFFAOYSA-N 472.935 5.420 50 10 JKGE FC1(F)C2(CC2)C12CC([C@@H](Br)c1cc(Br)ccc1OCc1ccccc1)C2 2361198593 RIYNSSLWOXIMDR-QOSBUDKSSA-N 498.205 7.290 50 10 JKGE Cc1c(F)ccc([C@H](Br)c2ccc(Br)c(C)c2Br)c1Cl 2364115103 SPPWAMRQKUAQGD-CQSZACIVSA-N 485.416 7.105 50 10 JKGE CCC1([C@@H](Br)c2c(C)cc(Br)c(OC)c2Br)CCCC1 2365187895 FQDBTAAKCVOQHS-HNNXBMFYSA-N 469.055 6.935 50 10 JKGE CCC1(C)CC([C@@H](Br)c2c(C)cc(Br)c(OC)c2Br)C1 2365214706 CVXBYPCWKNXVCZ-XNVJVGRKSA-N 469.055 6.791 50 10 JKGE COc1c(Br)cc(C)c([C@H](Br)C2C3(CC3)C23CC3)c1Br 2365232910 DEEVWRCUMRNRKO-LBPRGKRZSA-N 465.023 6.155 50 10 JKGE O=C(c1cc(Br)c(Cl)s1)N1CCC[C@H](Br)[C@@H]1C(F)(F)F 2370255878 CHMJYQBXYUCIDO-YLWLKBPMSA-N 455.521 5.094 50 10 JKGE CC[C@H](Oc1ccc(-c2ccccc2)cc1)C(=O)NNC(=O)COc1ccc([C@H](C)CC)cc1 14768870 HOKZPVNSNYKEBO-IBVKSMDESA-N 460.574 5.251 50 10 JKGE COc1cc(/C=C(/C#N)C(=O)Nc2ccccc2[N+](=O)[O-])cc(Cl)c1OCc1ccc(Cl)cc1 33575634 APBZINOSHQVKJD-YVLHZVERSA-N 498.322 6.035 50 10 JKGE CC(C)c1ccc(NC(=O)/C(C#N)=C/c2cn(-c3ccccc3)nc2-c2ccc(Cl)cc2)cc1 33664130 VYKJZSINTLHYLQ-CJLVFECKSA-N 466.972 6.862 50 10 JKGE COc1cc(/C=C(\C#N)c2nc(-c3cccc([N+](=O)[O-])c3)cs2)ccc1OCc1ccccc1 33932605 PBGWGANVKIRAQJ-CIAFOILYSA-N 469.522 6.370 50 10 JKGE Cc1ccc(Oc2nc3c(C)cccn3c(=O)c2/C=C(/C#N)C(=O)Nc2ccccc2Cl)cc1 39858563 HAYSYHLLAVZADL-JXAWBTAJSA-N 470.916 5.303 50 10 JKGE Cc1c(C(=O)Nc2ccc(Oc3ccccc3)cc2)oc2c1/C(=N/NC(=O)c1ccccc1)CCC2 40803982 BTLUUFCCUHGXGR-QFMPWRQOSA-N 479.536 6.103 50 10 JKGE Cc1c(C(=O)Oc2ccccc2)oc2c1/C(=N/NC(=O)c1ccc(Br)cc1)CCC2 40811815 VQVACJOGAYOTCD-XIEYBQDHSA-N 467.319 5.040 50 10 JKGE COc1ccccc1C(=O)N/N=C1\CCCc2oc(C(=O)Oc3cc(C)ccc3C(C)C)c(C)c21 40813223 RFQPUNIGGUPHLC-XHLNEMQHSA-N 474.557 5.718 50 10 JKGE CCCCCCOc1ccc(/C=C(\C#N)C(=O)Nc2cccc(C(=O)OCCOCC)c2)cc1OC 40853619 UXZGQHZHCBEKOD-HAVVHWLPSA-N 494.588 5.393 50 10 JKGE CCOc1cc(/C=N/NC(=O)C(O)(c2ccccc2)c2ccccc2)ccc1OCc1cccc(F)c1 58871539 HSUKMFNMEBMXER-UZWMFBFFSA-N 498.554 5.190 50 10 JKGE COc1cc(/C=C(\C#N)C(=O)Nc2ccc(C)cc2)ccc1OCc1c(Cl)cccc1Cl 59117665 VOGIJQYVIULUIR-LDADJPATSA-N 467.352 6.435 50 10 JKGE Cc1cc(/C=N/NC(=O)c2cc3cc(Br)ccc3o2)c(C)n1-c1ccc(F)c(Cl)c1 59303753 QVYIEPDFJYNKBV-KBKYJPHKSA-N 488.744 6.159 50 10 JKGE CCOC(=O)/C(C#N)=C\c1cc(Br)c(OCCOc2ccccc2C)c(OCC)c1 89269959 QFTVENFPSQMQOJ-PDGQHHTCSA-N 474.351 5.084 50 10 JKGE CCCCN(C(=O)CCl)[C@H](C(=O)NC1CCCCCC1)c1ccc(OCCC)c(OC)c1 97914968 CCNKGCUBNNDALS-DEOSSOPVSA-N 467.050 5.232 50 10 JKGE CCOc1ccc(/C=C(/C#N)C(=O)Nc2sc(C)c(-c3ccc(OCC)cc3)c2C(=O)OC)cc1 98028250 NJUGYGPLHFLNSW-HKWRFOASSA-N 490.581 5.853 50 10 JKGE ClCC(CCl)(Cc1ccc(I)cc1)c1cccc(Br)c1 118874782 CREAMZGIJHTDBC-UHFFFAOYSA-N 484.002 6.012 50 10 JKGE COc1c(Br)cc(Cl)cc1[C@H](Br)c1cc2sccc2s1 123729733 FMAWQWWCXSSRKD-ZDUSSCGKSA-N 452.620 6.872 50 10 JKGE CCOc1ccc([C@@H](Br)c2ccc(I)cc2)c(Br)c1 126713728 CJYYYFWSNMFMHV-HNNXBMFYSA-N 495.980 5.937 50 10 JKGE Clc1cc(Br)ccc1C[C@H](CBr)c1cccc(Br)c1 168957048 BDCTVRPLWSHBCD-GFCCVEGCSA-N 467.426 6.586 50 10 JKGE CCOc1ccc(/C=C(/C#N)C(=O)Nc2sc(C)c(-c3ccc(F)cc3)c2C(=O)OC)cc1OC 206882282 IDIJYEDRKWZYFO-PDGQHHTCSA-N 494.544 5.602 50 10 JKGE Cc1ccc(F)c([C@H](Br)c2cc(Br)sc2Br)c1F 214872124 DZNCDRVATUOXMV-SNVBAGLBSA-N 460.963 6.344 50 10 JKGE Cc1cc(Br)c([C@H](Br)CCOCC(F)F)cc1Br 232344940 QULSBHJJVDAMFQ-SECBINFHSA-N 450.943 5.628 50 10 JKGE COc1cc(Br)c([C@H](Br)c2csc(Br)c2)cc1OC 234931698 DYXLDEHSNDKNAH-CYBMUJFWSA-N 471.008 5.775 50 10 JKGE COc1ccc(C=NNC(=O)c2csc3ccccc23)cc1COCC(F)(F)C(F)F 252638211 YAFCHBGFJNVFNR-UHFFFAOYSA-N 454.445 5.091 50 10 JKGE CC(=O)Nc1ccc(C=NNC(=O)c2ccc(CSc3cccc4cccnc34)cc2)cc1 254565449 DERURIFWRLLTFJ-UHFFFAOYSA-N 454.555 5.249 50 10 JKGE CC1=C(/C=C/[C@](C)(CCC[C@H](C)CCC[C@H](C)CCCC(C)C)OO)C(=O)c2ccccc2C1=O 256497056 YUTUNMUCBDSKNC-JFINYQTFSA-N 482.705 8.626 50 10 JKGE C[C@H]1C[C@H](OC2(CI)CCN(C(=O)OC(C)(C)C)CC2)CC[C@H]1C 303741156 HKTRCNMMYLNXBX-OWCLPIDISA-N 451.389 5.032 50 10 JKGE CC(C)(C)OC(=O)N1C[C@@H](CI)[C@@H](c2ccc(Cl)c(Cl)c2)C1 382687151 GHKFYEJBOWYYDV-VXGBXAGGSA-N 456.151 5.379 50 10 JKGE C[C@@H](Cn1c([C@@H](C)Cl)nc2cc(I)c(F)cc21)N(C)Cc1ccccc1 390587739 RINPJNXUGNONOR-UONOGXRCSA-N 485.772 5.600 50 10 JKGE Cc1ccc(OCc2cc(Cl)ccc2I)c(CBr)n1 405312940 VELMJMWHPJPSLL-UHFFFAOYSA-N 452.517 5.122 50 10 JKGE CN(N=C(CBr)c1ccc(Br)cc1)C(=S)Nc1ccc(F)cc1 606526445 CRVMGKAWRXYGBT-UHFFFAOYSA-N 459.182 5.016 50 10 JKGE CC(C)(C)OC(=O)NCCN1CCO[C@@H](c2cccc(CO[Si](C)(C)C(C)(C)C)c2)C1 616647042 ROTOCOPTQREZID-OAQYLSRUSA-N 450.696 5.106 50 10 JKGE COCc1cc(Br)c([C@H](Br)c2cc(Cl)ccc2Br)s1 688145514 NBNGQEMRQWMSNC-GFCCVEGCSA-N 489.454 6.557 50 10 JKGE Cc1cccc2nc([C@@H](C)Cl)n(CC3(N(Cc4ccccc4)Cc4ccccc4)COC3)c12 705870560 YJYOGIHCOHKNRC-JOCHJYFZSA-N 460.021 6.116 50 10 JKGE C[C@@H]1Cc2cc(Br)cc([C@@H](Br)c3cccc(OCc4ccccc4)c3)c2O1 720046371 XBTJEOZJOLQQLQ-QRQCRPRQSA-N 488.219 6.836 50 10 JKGE COc1ccc(OC)c([C@H](Cl)c2ccc(I)c(Br)c2)c1 721573302 QWGGJQXGZYIROC-OAHLLOKOSA-N 467.528 5.399 50 10 JKGE COC(=O)[C@]12CC[C@@H](C)[C@H](C)[C@H]1C1=CC(=O)[C@@H]3[C@@]4(C)C(C=O)=C[C@@](C)(CO)[C@@H]4CC[C@@]3(C)[C@]1(C)CC2 888105653 OBGJFQQUGWJSKF-JDFUCBMCSA-N 496.688 5.314 50 10 JKGE Cc1cc([N+](=O)[O-])ccc1-c1ccc(C=NNC(=O)COc2ccc(Cl)cc2C2CCCCC2)o1 1083896294 SLCBFZKCRUSINH-UHFFFAOYSA-N 495.963 6.393 50 10 JKGE CCn1c(SCC(=O)NN=Cc2ccccc2OCc2ccccc2Cl)nc2ccccc21 1083917576 VRQOLJVBFDXOHW-UHFFFAOYSA-N 479.005 5.531 50 10 JKGE Cc1ccc(C)c(NC(=O)/C(C#N)=C\c2c(OC(=O)c3ccc([N+](=O)[O-])cc3)ccc3ccccc23)c1 1084160862 AKPZQRWFLHAUAC-JWGURIENSA-N 491.503 6.130 50 10 JKGE C=CCc1cc(C=NNC(=O)c2cc3ccccc3o2)ccc1OCc1ccc([N+](=O)[O-])cc1 1084243208 XWTVZLCYTJDFDW-UHFFFAOYSA-N 455.470 5.412 50 10 JKGE FC(F)(F)c1ccc(Cl)c([C@H]2CN(Cc3ccccc3)C[C@H]2CI)c1 1614630445 WGKKCKHPBTZJGD-PBHICJAKSA-N 479.711 6.009 50 10 JKGE Cc1ccc(COc2cccc(C=NNC(=O)CSc3nc(-c4ccccc4)cs3)c2)cc1 1772755249 WZLUSKBXKUBSHA-UHFFFAOYSA-N 473.623 5.940 50 10 JKGE COc1ccc(-c2nn(-c3ccccc3Cl)c3c2[C@@H](c2ccc([N+](=O)[O-])cc2)C(C#N)=C(N)O3)cc1 1865713035 PAPYQRAVRSYHRS-QFIPXVFZSA-N 499.914 5.328 50 10 JKGE CSCC[C@H](NC(=O)CCC(C)(C)c1ccc(C)cc1)C(=O)Nc1ccc(SC#N)cc1 1866794331 GXDDBFSUVJQKTC-QFIPXVFZSA-N 469.676 5.503 50 10 JKGE CCc1nc(Nc2ccc(SC#N)cc2)cc(N2CCC(Oc3ccc(OC)cc3)CC2)n1 1868277951 NOFLUKOWEMYTAF-UHFFFAOYSA-N 461.591 5.412 50 10 JKGE CC[C@H](C)[C@@H](/C(O)=C(\C#N)c1nc(-c2ccc3ccccc3c2)cs1)N1C(=O)c2ccccc2C1=O 1872745671 XPDZEYOKQPOVCI-OHEPZBQHSA-N 493.588 6.467 50 10 JKGE COC(=O)c1ccc(/C=C/C(O)=C(\C#N)c2nc(-c3ccc(Br)cc3)cs2)cc1 1872746667 RXCOLBDTUNCFPY-CNFMXHGXSA-N 467.344 5.865 50 10 JKGE COc1cc(/C=C/C(O)=C(\C#N)c2nc(-c3cc(Cl)ccc3Cl)cs2)cc(OC)c1OC 1872758110 MCCRJRUVDRNGKU-NHPATHQUSA-N 489.380 6.649 50 10 JKGE COc1ccc(OC)c(-c2csc(/C(C#N)=C(\O)COc3ccc(OC)cc3C(C)(C)C)n2)c1 1873921160 XRHVLUQNNKITHP-QOCHGBHMSA-N 480.586 6.005 50 10 JKGE Cn1nc(Br)c(Br)c1[C@@H](Br)c1sccc1Br 1901041196 DBCIDOVTAUDQRB-RXMQYKEDSA-N 493.844 5.253 50 10 JKGE CC[C@@H](Br)CN(Cc1ccccc1)S(=O)(=O)c1cc(Cl)cc(Cl)c1 1915078923 WFMOLBNHGBQWBV-CQSZACIVSA-N 451.213 5.358 50 10 JKGE Cc1oc(Br)cc1[C@H](Cl)c1sc(Br)c(C)c1Br 1922880893 GMQPXTKMCWLFAE-VIFPVBQESA-N 463.416 6.574 50 10 JKGE Cc1c(Br)sc([C@H](Cl)c2ccc(OCc3ccccc3)cc2)c1Br 1922882618 AQDBDKLELHJKON-QGZVFWFLSA-N 486.656 7.489 50 10 JKGE C[C@](CBr)(Cc1cc(Cl)ccc1I)C1CCCCC1 1923915315 IWNRDVCUMUFWBP-MRXNPFEDSA-N 455.605 6.469 50 10 JKGE C[C@H](c1ccncc1Br)[C@@H](Br)c1ccccc1OCc1ccccc1 1924048036 RIFXSXJSJIXWNF-QVKFZJNVSA-N 461.197 6.663 50 10 JKGE Cc1ccc([C@H](Cl)c2c(Br)sc(Br)c2Br)c(F)c1 1924585582 NJWIZVGVNGFOIQ-JTQLQIEISA-N 477.418 6.811 50 10 JKGE O=C(NC[C@@H](CCCC[C@H]1CCSS1)C(=O)O)OCC1c2ccccc2-c2ccccc21 1951508207 WSVMBKSDIBMLAY-MSOLQXFVSA-N 471.644 5.940 50 10 JKGE FCC1([C@H](Br)c2c(Br)sc(Br)c2Br)CCC1 1979396058 FHYNKHXVDUBGJE-SSDOTTSWSA-N 499.863 6.611 50 10 JKGE O=C(c1c(Br)c(Br)cc(Br)c1Br)[C@H]1C[C@@H]1Cl 1995046863 IXIXPWCXGDSEJU-DZSWIPIPSA-N 496.218 5.547 50 10 JKGE FC(F)(F)c1csc([C@@H](Br)[C@H]2C[C@H](Br)C2)c1Br 2020158130 WTBWHKWUUCLDQR-VPLCAKHXSA-N 456.947 6.139 50 10 JKGE Clc1c(Br)ccc(CBr)c1N(Cc1ccccc1)CC1CCOCC1 2036841356 BAVOPPFCANHGLH-UHFFFAOYSA-N 487.663 6.431 50 10 JKGE CS(=O)(=O)c1csc([C@H](Br)c2cc(Br)c(Cl)s2)c1 2052445947 SBJCNVIOBLHYOD-VIFPVBQESA-N 450.626 5.113 50 10 JKGE CCOc1cc(C=C(C#N)c2nc3ccccc3s2)ccc1OCc1ccc(Br)cc1 2053614720 HVXUJEJSVVSAHY-UHFFFAOYSA-N 491.410 7.101 50 10 JKGE CN(CC1CC(Br)C1)C(=O)c1ccc(Br)c(NC(=O)OC(C)(C)C)c1 2076219805 FJCOXHASDNQBSS-UHFFFAOYSA-N 476.209 5.042 50 10 JKGE COc1cc(C)c([C@H](Br)c2ccc(Br)s2)cc1Br 2078003575 NYCWGOXWVLGDKA-ZDUSSCGKSA-N 455.009 6.074 50 10 JKGE Cc1c(Br)ccc([C@H](Br)[C@H](C)CC(F)(F)F)c1Br 2083318257 NUUCXFKBBFMCKQ-LHLIQPBNSA-N 452.934 6.545 50 10 JKGE Cc1cc([C@@H](Br)c2cc(Cl)ccc2Cl)ccc1I 2086039345 KJUJONLFNLUTQX-CQSZACIVSA-N 455.948 6.391 50 10 JKGE CCOc1ccc([C@H](Br)c2scc(C)c2Br)cc1Br 2100814725 MHSBTCXZVCWVTF-ZDUSSCGKSA-N 469.036 6.465 50 10 JKGE Fc1ccc(I)cc1[C@@H](Cl)c1cc(C2CC2)c(Br)s1 2113350867 JPSSHIKFCSHGAR-CYBMUJFWSA-N 471.560 6.460 50 10 JKGE CN(C(=O)c1cc(Br)c(Br)s1)[C@@H]1CCCCC[C@H]1Br 2115916315 XPEGTRIEBWFCJT-PSASIEDQSA-N 474.056 5.441 50 10 JKGE Cc1cc(Br)c(C)c([C@H](Br)C2[C@@H]3CCCC[C@@H]23)c1Br 2136378890 GQWSAWSUGARCKM-UVWXRNBGSA-N 451.040 6.701 50 10 JKGE CCn1cc(Br)c([C@@H](Cl)c2ccc(Br)c(C)c2Br)n1 2138861459 GQESXHLMAJMPJM-LBPRGKRZSA-N 471.418 5.827 50 10 JKGE Brc1ccc([C@@H](Br)C(C2CCC2)C2CCC2)c(Br)c1 2138875236 CZELTRKGMHCNDR-MRXNPFEDSA-N 451.040 6.864 50 10 JKGE Clc1cccc(Cl)c1C[C@@H](Cl)c1ccc(Br)cc1I 2142279665 SSRFDZMUNZULNH-CYBMUJFWSA-N 490.393 6.883 50 10 JKGE Cc1cc(Cl)c([C@H](Cl)c2ccc(Br)cc2I)cc1C 2142285986 AIHYIFDLBTZYEE-OAHLLOKOSA-N 469.975 6.652 50 10 JKGE Clc1cc(C[C@]2(CBr)CCCC23CCC3)ccc1I 2142939151 DXIVCWVGOSKGND-INIZCTEOSA-N 453.589 6.223 50 10 JKGE Cc1cc(C)c(C)c([C@H](Br)c2cccc(Br)c2Br)c1C 2148754430 ZNHYJUYXHCBZQT-QGZVFWFLSA-N 461.035 6.930 50 10 JKGE CN(C(=O)c1ccc(Br)cc1Br)C1(CBr)CC(C)(C)C1 2164566948 IXCBSLUDEBOKAH-UHFFFAOYSA-N 468.027 5.237 50 10 JKGE BrC[C@@]12CCC[C@H]1N(Cc1ccc(Br)cc1Br)CCC2 2165238486 GVTUVDNCJJSVSG-CVEARBPZSA-N 466.055 5.741 50 10 JKGE Cc1c(Cl)cc([C@H](Cl)c2cc(Br)c(Cl)cc2F)cc1Br 2167384618 PBLWIAUWJRBFBP-AWEZNQCLSA-N 461.383 7.294 50 10 JKGE Fc1cc(Br)cc(N2CCC3(CCN(Cc4ccccc4)CC3)C2)c1CBr 2170684730 NZUVKANCIJWCPD-UHFFFAOYSA-N 496.262 5.976 50 10 JKGE CC(C)(C)OC(=O)Nc1ccc([S@](C)(=O)=NCc2ccc(CBr)cc2)cc1 2182844311 BZNRBUKFXJJGKH-MHZLTWQESA-N 453.402 5.585 50 10 JKGE CC1(C[S@](C)(=O)=NCCCCCCCCCBr)CN(C(=O)OC(C)(C)C)C1 2192786064 NTRWOIPOUQOOLV-MHZLTWQESA-N 467.514 5.467 50 10 JKGE C[C@H](Br)CC#Cc1sc(Br)c(Br)c1Br 2209978428 XRLDOEHCRIHNSN-YFKPBYRVSA-N 465.830 5.561 50 10 JKGE Cc1ccc([C@@H](C)[C@@H](Br)c2cc(Br)sc2Br)cc1 2223968032 IGARTVDSEQDMBB-NOZJJQNGSA-N 453.037 6.821 50 10 JKGE Cc1cc([C@H](Cl)c2c(Br)cc(Cl)c(Cl)c2Cl)oc1Br 2224325903 ZASFEFYBHZSGLL-JTQLQIEISA-N 467.799 7.401 50 10 JKGE Cc1cc(Br)c(F)c([C@@H](Br)c2sc(Br)c(C)c2C)c1 2225838903 OKLMGESJYPDXSI-LLVKDONJSA-N 471.027 6.822 50 10 JKGE Fc1c(Cl)cccc1[C@@H](Br)c1c(Br)cc(Cl)c(Cl)c1Cl 2232512298 NCCIODUZMAAVLW-SNVBAGLBSA-N 481.801 7.686 50 10 JKGE Clc1cc(Br)c([C@H](Br)[C@@H]2C[C@H]2C2CCCC2)c(Cl)c1Cl 2232518070 ZESAEAHRJHDTAI-IGJMFERPSA-N 461.452 7.672 50 10 JKGE Cc1nc([C@H](Br)c2cc3sc(Br)cc3s2)c(Br)s1 2263614673 BVGODCQSSQFTKI-SECBINFHSA-N 488.089 6.737 50 10 JKGE Cc1sc(Br)c(C)c1[C@@H](Cl)Cc1cc(Br)cc(Br)c1 2277892006 NEELZZCULMASBW-LBPRGKRZSA-N 487.482 7.175 50 10 JKGE Cc1cc(Br)c([C@@H](Cl)c2cc(I)ccc2F)c(C)c1F 2279136880 IXVRWSPQTRSITJ-AWEZNQCLSA-N 471.510 6.277 50 10 JKGE N#CC(=Cc1cc(Cl)ccc1OCc1ccc(C(=O)O)cc1)C(=O)Nc1ccccc1Cl 2293571076 NUWLUQMMXJOZBB-UHFFFAOYSA-N 467.308 5.816 50 10 JKGE N#CC(=Cc1cn(Cc2cccc(Cl)c2)c2ccccc12)C(=O)NCc1ccc2c(c1)OCO2 2295415649 RWRLQWCYJJSMOU-UHFFFAOYSA-N 469.928 5.295 50 10 JKGE COC(=O)c1c(NC=C(C#N)c2nc(-c3ccc(OC(C)=O)cc3)cs2)sc(C)c1C 2296233748 PJIVTBXROGPHMD-UHFFFAOYSA-N 453.545 5.177 50 10 JKGE CCSc1ccc(-c2nn(-c3ccccc3)cc2C=C(C#N)c2nc(O)c3ccccc3n2)cc1 2296557889 VVHVHTDLYBVEQO-UHFFFAOYSA-N 475.577 6.364 50 10 JKGE COc1ccc(NC(=O)C(C#N)=Cc2c(Oc3ccc(Cl)cc3)nc3c(C)cccn3c2=O)cc1 2296719402 MJXGEXUVTITIJO-UHFFFAOYSA-N 486.915 5.003 50 10 JKGE N#CC(=Cc1cn(Cc2ccc(Cl)cc2Cl)c2ccccc12)C(=O)NC[C@H]1CCCO1 2297308485 HAKJCAIVGIYHII-HXUWFJFHSA-N 454.357 5.199 50 10 JKGE CC1CC(CC[C@H](Br)c2ccc(OCc3ccccc3)cc2Br)C1 2299497335 QTNCBRMLTFCUAK-LAGYLCCXSA-N 452.230 7.290 50 10 JKGE Cc1scc([C@H](Cl)c2sc(Br)c(C)c2Br)c1Br 2303644977 XCFHSISQCXVZDO-VIFPVBQESA-N 479.484 7.042 50 10 JKGE O=C(N[C@@H](CCCl)COCc1ccccc1)c1ccc(Br)cc1Br 2303699806 QPVMBEVOVLPBTQ-HNNXBMFYSA-N 475.608 5.156 50 10 JKGE FC1(F)[C@@H]2CC[C@@H]([C@H](Cl)c3c(Br)sc(Br)c3Br)[C@@H]21 2308642214 FEZVEOQXXXOKSK-WTXXPBFRSA-N 485.413 6.607 50 10 JKGE Clc1c(Br)sc(Br)c1[C@@H](Br)C[C@@H]1CCC[C@@H]2C[C@H]12 2309957922 QHOOUJRHJDCATI-XGEHTFHBSA-N 477.487 7.189 50 10 JKGE COc1cccc(C=C(C#N)C(=O)Nc2cc([N+](=O)[O-])ccc2Cl)c1OCc1ccccc1Cl 2313675817 VKXFQIUMZVSJSH-UHFFFAOYSA-N 498.322 6.035 50 10 JKGE CC(C)c1ccc(N2C(=O)[C@H](Cc3ccccc3F)SC2=C(C#N)C(=O)NCc2ccccc2)cc1 2314593194 JCTCVHPNLQWCRA-SANMLTNESA-N 499.611 5.692 50 10 JKGE COc1ccc(CCN2C(=O)C(=Cc3ccc(-c4cccc(Cl)c4)o3)C(C)=C(C#N)C2=O)cc1 2314619882 GPIZQTOXWCDLCP-UHFFFAOYSA-N 472.928 5.444 50 10 JKGE C[C@@H]1C[C@H]([C@H](Br)c2c(Cl)cc(Br)c(F)c2Br)CO1 2315449720 SUVTXMIIVLEJCW-KORWRZNCSA-N 465.382 5.865 50 10 JKGE CC[C@H](NC(=O)C(C#N)=CNc1ccc(Cl)cc1C(F)(F)F)c1ccc2c(c1)CCCC2 2325092699 QHIAOHGFPSZBPK-NRFANRHFSA-N 461.915 6.324 50 10 JKGE CCCC[C@](CC)(CBr)Cc1ccc(I)c(Br)c1 2325217077 ADPIVPOQIUCAAM-HNNXBMFYSA-N 488.045 6.578 50 10 JKGE FC1(F)[C@H]2C[C@H]([C@@H](Cl)c3c(Br)sc(Br)c3Br)CC[C@H]21 2329710301 QUAZRMIGKQJHIO-NDDNGWRZSA-N 499.440 6.997 50 10 JKGE CC(C)CN1C(=O)c2ccc(C(O)=C(C#N)c3nc(-c4ccc5ccccc5c4)cs3)cc2C1=O 2331237800 GBGGPRGXJBIGPK-UHFFFAOYSA-N 479.561 6.165 50 10 JKGE N#CC(=C(O)c1cc(C(F)(F)F)cc(C(F)(F)F)c1)c1nc(-c2ccc3ccccc3c2)cs1 2331238599 BSDUYMHSWGSXHR-UHFFFAOYSA-N 490.428 7.951 50 10 JKGE COc1ccc(-c2csc(C(C#N)=C(O)COc3ccc(Cl)cc3Cl)n2)cc1OC 2331242463 FFQGLZQVZWVMAQ-UHFFFAOYSA-N 463.342 6.006 50 10 JKGE COc1ccc(-c2csc(C(C#N)=C(O)C=Cc3ccc(C(C)C)cc3)n2)c(OC)c1OC 2331412680 WCRXKDVNNDLWIT-UHFFFAOYSA-N 462.571 6.465 50 10 JKGE CCOc1c(Br)cc(C=C(C#N)c2nc(-c3ccc(Cl)cc3)cs2)cc1OC 2331439964 JXUXBSPEUHSHBY-UHFFFAOYSA-N 475.795 6.697 50 10 JKGE FC1(F)C[C@]12CC[C@@H]([C@@H](Br)c1ccc(OCc3ccccc3)cc1Br)C2 2336081935 WDILEJYLTBAHSE-CDHQVMDDSA-N 486.194 7.290 50 10 JKGE Clc1ccc(CN(CCBr)c2ccccc2)cc1I 2337222995 GSSGBRLHDOHESA-UHFFFAOYSA-N 450.545 5.346 50 10 JKGE COc1c(Br)cc(C)c([C@H](Br)CC2(F)CCC2)c1Br 2339659538 TZJHHASJIRNJAA-SNVBAGLBSA-N 458.991 6.247 50 10 JKGE CCOc1ccc([C@@H](Br)c2cc(Br)sc2Br)c(F)c1 2341741512 CRZNLZZMZMNXFS-GFCCVEGCSA-N 472.999 6.295 50 10 JKGE Cc1ccc(N2CCCN(Cc3ccccc3)CCOCC2)c(CBr)c1Cl 2360550502 CGGHCBOHFKZVJD-UHFFFAOYSA-N 451.836 5.272 50 10 JKGE COc1ccc(OC)c([C@H](Br)c2cc(Br)ccc2OCc2ccccc2)c1 2361179516 WOLUYVBAVUWBBO-JOCHJYFZSA-N 492.207 6.530 50 10 JKGE Brc1cc(OCc2ccccc2)ccc1[C@@H](Br)[C@H]1CCc2ccccc2C1 2361201926 WZIWRUFHGUZOIC-RDPSFJRHSA-N 486.247 7.269 50 10 JKGE FC(F)(F)[C@@H]1OC2([C@@H](Cl)c3cc(Br)ccc3OCc3ccccc3)CC1C2 2361215676 VRCNKTKXWQBMON-QYEYTSMBSA-N 461.705 6.418 50 10 JKGE Cc1cc(I)c(O[C@H]2C[C@@H](Br)C23CCCCC3)cc1Cl 2361701657 GEKCDQVDVPFUQZ-CABCVRRESA-N 469.588 6.118 50 10 JKGE CSc1ccc([C@H](Cl)c2c(Cl)cc(Br)c(F)c2Br)cc1 2362226977 YPOIJNQDXZDEOG-ZDUSSCGKSA-N 459.005 7.054 50 10 JKGE CC(C)[C@@H](Br)C(C)(C)CNC(=O)c1cc(Cl)ccc1I 2366009305 NHYTZCWDRBXESM-CYBMUJFWSA-N 472.592 5.120 50 10 JKGE COc1c(CBr)cccc1OCc1cc(Br)ccc1Br 2367359381 YWXVJXJGJSFDOI-UHFFFAOYSA-N 464.979 5.694 50 10 JKGE COc1c(Br)cc(C)c([C@H](Br)[C@@H]2O[C@H]3CC[C@H]2C3)c1Br 2380648522 QHUZJDYXCRREHU-XYDQJSOLSA-N 469.011 5.532 50 10 JKGE CC(C)(C)Oc1ccc([C@H](Br)c2sncc2Br)cc1Br 2381320143 SEPFMIKRRQCKDN-LBPRGKRZSA-N 484.051 6.330 50 10 JKGE CC(C)C[C@@H](CBr)CN=[S@](=O)(CCNC(=O)OC(C)(C)C)c1ccccc1 2382176573 WTDDUACOELNPBX-SOKVYYICSA-N 461.466 5.095 50 10 JKGE COc1cccc(/C=N/NC(=O)CSc2nc3ccccc3s2)c1OCc1ccc(F)cc1 32520795 YVLQDSLWSKQKPZ-LGJNPRDNSA-N 481.574 5.265 50 10 JKGE N#C/C(=C/c1ccc(-c2ccc(F)cc2)o1)C(=O)Nc1ncc(Cc2cccc(Cl)c2Cl)s1 33339798 JKFJPZORKMTUKY-YBEGLDIGSA-N 498.366 6.985 50 10 JKGE Cc1cccc2cc(/C=C(/C#N)c3nc(-c4cc5ccccc5oc4=O)cs3)c(Cl)nc12 33391341 CEVDINOUZBGCRB-ZDLGFXPLSA-N 455.926 6.491 50 10 JKGE CC1=C(C#N)C(=O)N(Cc2ccc(C)cc2)C(=O)/C1=C/c1ccc(OCc2ccc(F)cc2)cc1 38608465 HZKXYLWNBXZREI-CVKSISIWSA-N 466.512 5.506 50 10 JKGE Cc1ccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4ccc(Br)cc4)ccc32)cc1 38649162 ULXJCWWCWMOREF-JOCHJYFZSA-N 461.315 5.195 50 10 JKGE N#CC1=C(N)Oc2cc(OC(=O)c3ccc(Cl)cc3Cl)ccc2[C@H]1c1ccccc1Cl 38651005 FQVQENIOQKTRKR-OAQYLSRUSA-N 471.727 6.084 50 10 JKGE Cc1ccc(NC(=O)c2oc3c(c2C)/C(=N/NC(=O)Cc2coc4cc(C)cc(C)c24)CCC3)c(C)c1 40826862 FXUYPDBDFRYRJK-AWSUPERCSA-N 497.595 6.220 50 10 JKGE O=C(COc1ccc(-c2ccccc2)cc1Br)N/N=C/c1ccc(Br)o1 40912231 CLKFCVWNDGAGKU-SSDVNMTOSA-N 478.140 5.001 50 10 JKGE O=C(N/N=C/c1ccc2c(c1)OCCO2)c1ccc(OCc2ccc(Cl)cc2Cl)cc1 48573524 NRQBKOVPDAAMGP-LGJNPRDNSA-N 457.313 5.108 50 10 JKGE N#C/C(=C/c1c(Oc2ccc(Cl)cc2Cl)nc2ccccn2c1=O)c1nc2ccccc2[nH]1 50574941 VIGCGGSZYCKWDE-KAMYIIQDSA-N 474.307 5.734 50 10 JKGE Cc1cc(/C=N\NC(=O)CC[C@@H](O)c2ccccc2)c(C)n1-c1ccc(OCc2ccccc2F)cc1 58890624 PMNHSJZNCMGACJ-LIWTUZSWSA-N 499.586 5.776 50 10 JKGE Cc1cccc(C(=O)N/N=C\c2cc(Br)ccc2OC(=O)c2cccc(C)c2)c1 59500458 YYYIRPZLOYKYHF-QFEZKATASA-N 451.320 5.049 50 10 JKGE CCc1ccc(N2C(=O)[C@H](Cc3ccccc3)S/C2=C(/C#N)C(=O)Nc2ccccc2)cc1 101244320 TYMQDCIMMJKTKP-FYAMCCBRSA-N 453.567 5.314 50 10 JKGE CCCCCCN1C(=O)C(C#N)=C(C)/C(=C\c2cn(-c3ccccc3)nc2-c2cc(C)ccc2C)C1=O 101333501 FLXCZEBJKOWUBU-OVVQPSECSA-N 492.623 6.329 50 10 JKGE CCOC(=O)c1ccc(-c2ccc(/C=C(/C#N)C(=O)Nc3cc([N+](=O)[O-])ccc3Cl)o2)cc1 103485366 FEDHXSXZRBVLHJ-WJDWOHSUSA-N 465.849 5.231 50 10 JKGE Brc1ccc([C@@H](Br)c2ccc(Br)c3ccccc23)cc1 127450136 YHZDNUFDYAMAKB-QGZVFWFLSA-N 454.987 6.849 50 10 JKGE Cc1ccc(Br)c([C@H](Br)c2cc(Br)ccc2Br)c1 161281756 ACPHAPXPIRGRDQ-AWEZNQCLSA-N 497.850 6.767 50 10 JKGE COc1ccc(N(C(=O)CCl)[C@H](C(=O)N[C@@H]2CCCC[C@@H]2C)c2ccccc2Cl)cc1 169691528 ZXVNHGMPOHYGQO-YTJPUZGESA-N 463.405 5.357 50 10 JKGE C[C@H](c1c[cH-]cc1P(c1ccccc1)c1ccccc1)P(C1CCCCC1)C1CCCCC1 206509876 HIUCKPBIAYKARH-RUZDIDTESA-N 473.601 8.372 50 10 JKGE Cc1cc(Br)c([C@@H](Br)c2cccc(Br)c2Cl)s1 228453464 OZQSRHHQAHSWQD-JTQLQIEISA-N 459.428 6.719 50 10 JKGE O=C(c1ccc(I)c(Cl)c1)N(CCBr)C1CCCCC1 232347956 HREYXSAKWAEZHZ-UHFFFAOYSA-N 470.576 5.114 50 10 JKGE COc1ccc(Br)cc1[C@H](Br)c1cc(Cl)cc(Br)c1 234813918 LYVSAYQMDJLXIY-CQSZACIVSA-N 469.398 6.358 50 10 JKGE COc1ccccc1C[C@H](Br)c1cc(Br)ccc1I 234898593 UJWVXGTYLOBOHW-ZDUSSCGKSA-N 495.980 5.741 50 10 JKGE Cc1sc([C@H](Cl)c2cc(Br)sc2Br)cc1Br 235974758 BCZFWTCPPCUQEZ-SECBINFHSA-N 465.457 6.734 50 10 JKGE O=C(NN=Cc1cn(-c2ccccc2)nc1-c1ccc(OCc2ccccc2)cc1)c1ccccc1F 254287662 GCIQHRWWDZVTPO-UHFFFAOYSA-N 490.538 6.021 50 10 JKGE Cl[C@@H](c1cc2c(cc1Br)OCCO2)c1sccc1I 311451873 SLQUVYHHAJOZQT-LBPRGKRZSA-N 471.541 5.215 50 10 JKGE COc1ccc([C@H](Br)c2sccc2I)c2ccccc12 312419486 RDQWEOPXMVBAFQ-HNNXBMFYSA-N 459.146 5.999 50 10 JKGE O=C(NC[C@@H]1CCC[C@H](CBr)C1)c1ccc(Br)cc1Br 312710267 SRXLTGGOUKLBSW-WDEREUQCSA-N 468.027 5.143 50 10 JKGE Cc1cc(Br)c([C@@H](Br)c2cc(Br)sc2C)cc1Cl 380683775 RGVVKOZBCMYCHC-ZDUSSCGKSA-N 473.455 7.028 50 10 JKGE C[C@H]1CCN(c2cc(Br)ccc2CBr)CCN1Cc1ccccc1 382642385 ABXXSCZKQULSMN-INIZCTEOSA-N 452.234 5.445 50 10 JKGE Fc1ccc(Br)cc1[C@@H](Br)c1c(Br)cc(F)c(F)c1F 398713868 FSPHBKUEYGKTMF-LLVKDONJSA-N 476.887 6.252 50 10 JKGE CC1=CCCC(C)(C)[C@H]1/C=C/C(C)=NNC(=O)c1ccc(CSc2nc(C)cc(C)n2)cc1 606347400 BNOCNIRXTZIFLJ-DMURZZHKSA-N 462.663 6.430 50 10 JKGE O=C(NC1(CCBr)CCCC1)c1cc(Br)sc1Br 687282367 CXZAKWDEUBFDBP-UHFFFAOYSA-N 460.029 5.101 50 10 JKGE CC1(C)COc2c([C@@H](Br)c3cscc3Br)cc(Br)cc21 688194660 NDDSKYWNTPGXBZ-CYBMUJFWSA-N 481.047 6.427 50 10 JKGE Clc1cncc(COc2c(Br)cc(CBr)cc2Br)c1 703703547 MFOGWLKIVDQJGG-UHFFFAOYSA-N 470.386 5.734 50 10 JKGE C[C@@H]1CCC[C@@](CBr)(NC(=O)c2scc(Br)c2Br)C1 705418158 JXMIZYDSKJGYNY-AMIZOPFISA-N 474.056 5.347 50 10 JKGE CCOC(=O)c1ccc(-c2ccc(C=NNC(=O)[C@H](C)Sc3ccc(Cl)cc3)o2)cc1 1084252858 GPJBUCZMAJARPB-HNNXBMFYSA-N 456.951 5.408 50 10 JKGE COc1cc(OC)c(C=NNC(=O)c2ccc(-n3c(C)ccc3-c3ccccc3)cc2)c(OC)c1 1084610990 NSRSXZSFTPBIOV-UHFFFAOYSA-N 469.541 5.242 50 10 JKGE Cc1cc(OC(=O)c2oc3c(c2C)C(=NNC(=O)c2ccc(F)cc2)CCC3)ccc1Cl 1772744651 GNGDMDNZYZGZSF-UHFFFAOYSA-N 454.885 5.379 50 10 JKGE N#CC1=C(N)Oc2c(c(C(F)(F)F)nn2Cc2ccc(F)cc2)[C@H]1c1cccc2ccccc12 1865682096 FXTUWKZMVUXBET-FQEVSTJZSA-N 464.422 5.461 50 10 JKGE CC(C)c1ccc([C@@H]2C(C#N)=C(N)Oc3c2c(-c2ccccc2)nn3Cc2c(F)cccc2Cl)cc1 1865685665 LEXDOJMBRXIDPA-RUZDIDTESA-N 498.989 6.732 50 10 JKGE CCc1nn(-c2ccccc2)c2c1[C@@H](c1ccc(OCCc3ccccc3)c(OC)c1)C(C#N)=C(N)O2 1865688169 LXDQMQOSBFJARN-MHZLTWQESA-N 492.579 5.283 50 10 JKGE CCOc1cccc([C@H]2C(C#N)=C(N)Oc3c2c(-c2ccc(OC)cc2)nn3-c2ccccc2Cl)c1 1865690124 JGSKPWRTPGLZPS-DEOSSOPVSA-N 498.970 5.818 50 10 JKGE C=CCOc1ccccc1[C@@H]1C(C#N)=C(N)Oc2c1c(CCC)nn2-c1ccc(Br)cc1 1865691482 TYSQIGXVHVFAIO-JOCHJYFZSA-N 491.389 5.370 50 10 JKGE CCCOc1ccc([C@@H]2C(C#N)=C(N)Oc3c2c(C)nn3Cc2c(F)cccc2Cl)cc1 1865693008 HGOGVLWNWPAPOW-JOCHJYFZSA-N 452.917 5.039 50 10 JKGE COc1ccc(-c2nn(-c3cccc4ccccc34)c3c2[C@@H](c2cccnc2)C(C#N)=C(N)O3)cc1 1865700285 OVCOIEMNXUPORT-VWLOTQADSA-N 471.520 5.314 50 10 JKGE CCCOc1ccccc1[C@H]1C(C#N)=C(N)Oc2c1c(-c1ccccc1)nn2Cc1ccc(Cl)cc1 1865703245 RAHRBMIWOISBFJ-VWLOTQADSA-N 496.998 6.259 50 10 JKGE CCCc1nn(Cc2ccccc2Cl)c2c1[C@@H](c1cc(Cl)c(O)c(OC)c1)C(C#N)=C(N)O2 1865707524 YQCRHJIXUKWRFS-FQEVSTJZSA-N 485.371 5.123 50 10 JKGE N#CC1=C(N)Oc2c(c(-c3ccccc3)nn2Cc2cccc(Cl)c2)[C@H]1c1ccc(F)cc1 1865707807 GUZAKYCFHPQTPB-QFIPXVFZSA-N 456.908 5.609 50 10 JKGE Cc1nn(Cc2c(F)cccc2Cl)c2c1[C@@H](c1ccc(Br)cc1)C(C#N)=C(N)O2 1865714052 BMWMBILLQIFAPU-IBGZPJMESA-N 473.733 5.013 50 10 JKGE COc1cc(/C=N\NC(=O)c2ccc(-c3ccc(F)cc3)nc2C)ccc1OCc1ccccc1 1865760525 BQACIJHIYWLRDS-LQNQUEJISA-N 469.516 5.548 50 10 JKGE C[C@@H]1CN(c2cc(Nc3ccc(SC#N)cc3)nc(C(C)(C)C)n2)C[C@@H](C)N1c1ccccc1 1868342167 MONBYZHWYJYDHL-WOJBJXKFSA-N 472.662 6.194 50 10 JKGE COc1cc2nc(/C(C#N)=C/c3ccc(OC)c(OCc4ccccc4)c3)nc(O)c2cc1OC 1872727456 BWIXUONTTHMFJM-YBFXNURJSA-N 469.497 5.004 50 10 JKGE CCOc1cc(/C=C(\C#N)c2nc3cc(C)ccc3n2C)ccc1OCc1ccc(Cl)cc1 1872727933 HSJYROIBLSPZFB-KGENOOAVSA-N 457.961 6.577 50 10 JKGE CCCc1ccc(OC/C(O)=C(\C#N)c2nc(-c3ccc(Br)cc3)cs2)cc1 1872746486 KCVMXKHYTIETCI-VZCXRCSSSA-N 455.377 6.397 50 10 JKGE COc1c(Cl)cc(-c2csc(/C(C#N)=C(\O)c3ccc(N(C)C)c([N+](=O)[O-])c3)n2)cc1Cl 1872756318 XCEDEEOFNCUXGN-UYRXBGFRSA-N 491.356 6.050 50 10 JKGE Cc1ccccc1COc1ccc(/C=C(\C#N)c2nc(-c3ccc(-c4ccccc4)cc3)cs2)cc1 1872782321 DKPDQHIDEYJIGO-VUTHCHCSSA-N 484.624 8.429 50 10 JKGE N#C/C(=C\c1ccc(OCc2ccc(Cl)cc2)cc1)c1nc(-c2cccc3ccccc23)cs1 1872792267 OWIJPICFMXOHNB-XQNSMLJCSA-N 479.004 8.260 50 10 JKGE COc1cc(OC)c(-c2csc(/C(C#N)=C/c3c(OC)ccc4ccccc34)n2)cc1Cl 1872793858 XXGDVWVXBDBEOY-MHWRWJLKSA-N 462.958 6.707 50 10 JKGE Cc1cc(C)c(-c2csc(/C(C#N)=C/c3ccc(OCc4ccc(Cl)cc4)cc3)n2)c(C)c1 1872794002 FIEHJKQUHLZYTR-OEAKJJBVSA-N 471.025 8.032 50 10 JKGE COc1cc(C)c(-c2csc(/C(C#N)=C/c3ccccc3OCc3ccc(Cl)cc3)n2)cc1C 1872794952 FVEYKPBLIYHYDV-HYARGMPZSA-N 487.024 7.732 50 10 JKGE COc1ccccc1OCC(=O)N/N=C/c1ccc(OC)c(OCc2ccc(Cl)cc2Cl)c1 1873497334 QAFDSFZPRDBNDD-UVHMKAGCSA-N 489.355 5.119 50 10 JKGE CC[C@H](C)[C@H](NC(=O)OC(C)(C)C)C(=O)N/N=C/c1ccc(OCc2c(F)cccc2Cl)cc1 1873794439 JDPCNMZNPRBAOS-IWZMSNSGSA-N 491.991 5.448 50 10 JKGE C[C@H](Cl)c1nc2cc(I)ccc2n1C[C@H]1C[C@H](Br)C1 1887942415 LIICHCVNOUSBHZ-GUBZILKMSA-N 453.549 5.114 50 10 JKGE Cc1cc(Br)c([C@@H](Br)C2CC3(CCCCC3)C2)cc1Br 1912564463 FXNGFERVMIONAE-INIZCTEOSA-N 465.067 7.317 50 10 JKGE CC[C@H](Br)CN(Cc1ccccc1)C(=O)c1cccc(F)c1I 1915114446 HJDNIKAOUUIFMQ-AWEZNQCLSA-N 490.154 5.246 50 10 JKGE CCC1CCC([C@@H](Br)c2sc(Br)c(C)c2Br)CC1 1922945367 FQEPYRVTHKAWJT-RTYFJBAXSA-N 459.085 7.234 50 10 JKGE C[C@H](c1ccncc1Br)[C@@H](Br)c1cc(F)ccc1Br 1924040167 NZMYJOVSGWMRSD-XLKFXECMSA-N 451.959 5.985 50 10 JKGE Clc1cc(Br)cc([C@@H](Br)Cc2ccncc2Br)c1 1924053040 QHFHAOPQKGZFAV-LBPRGKRZSA-N 454.387 5.939 50 10 JKGE FC1CC(C[C@@H](Cl)c2c(Br)sc(Br)c2Br)C1 1924570592 LKWHOVOXZOGRJU-JMMWHDCWSA-N 455.412 6.454 50 10 JKGE CC[C@@H](C)[C@@H](Br)c1c(Br)sc(Br)c1Br 1924575652 DCVWNWIMSSXMDZ-INEUFUBQSA-N 469.862 6.518 50 10 JKGE Cl[C@H](c1cc(Br)sc1Br)c1sncc1Br 1928068569 NJNAWYGOUKSAKH-ZCFIWIBFSA-N 452.418 5.820 50 10 JKGE Brc1ccc([C@@H](Br)c2sncc2Br)c(Br)c1 1994121540 BGLVQEWTUQXPRR-SECBINFHSA-N 490.840 5.915 50 10 JKGE Cc1cc(Br)c([C@@H](Br)c2cc(Cl)c(Cl)s2)cc1Br 2038474712 UVIRXGKDRBSXHO-LLVKDONJSA-N 493.873 7.373 50 10 JKGE COc1cc(Br)c(C)cc1[C@@H](Br)c1cscc1OCc1ccccc1 2038678169 WYLIAMYAHXBDLI-HXUWFJFHSA-N 482.237 6.891 50 10 JKGE O=C(N[C@H](CBr)c1cccs1)c1cc(Br)sc1Br 2055479175 JJHUZBXJPCTOPR-SSDOTTSWSA-N 474.037 5.201 50 10 JKGE Fc1cccc(I)c1Cn1nc(C2CCCCC2)cc1CBr 2070038961 KDXIMLDANQJERX-UHFFFAOYSA-N 477.159 5.618 50 10 JKGE C[C@H]1CCc2nn(Cc3ccc(C(F)(F)F)c(Br)c3)c(CBr)c21 2080652110 GWGRSACZQCSQJF-VIFPVBQESA-N 452.112 5.657 50 10 JKGE Cc1cc([C@H](Br)c2c(C)c(Br)cc(C)c2Br)cs1 2081081188 DMLYECIIJFBSMA-AWEZNQCLSA-N 453.037 6.683 50 10 JKGE COc1cc(Cl)c([C@@H](Br)c2ccc(Br)s2)cc1Br 2082378257 YIVRQSQGAVILDN-GFCCVEGCSA-N 475.427 6.419 50 10 JKGE Cc1cc(Cl)c(Br)cc1[C@@H](Cl)c1cccc(I)c1 2082382792 RIQRARXGAOYQDA-AWEZNQCLSA-N 455.948 6.344 50 10 JKGE Cc1nscc1COc1c(Br)cc(Br)cc1CBr 2085004359 YOMKQMKBQSQHGK-UHFFFAOYSA-N 455.997 5.450 50 10 JKGE BrCc1ccc(N2CC[C@H]3CCN(Cc4ccccc4)C[C@@H]3C2)cc1Br 2092525144 XAZBSZRJQGFFEY-UYAOXDASSA-N 478.272 5.692 50 10 JKGE C[C@H](CBr)[C@@H]1CCCCN1Cc1c(Br)cccc1Br 2094088178 IHEICNKQWIRGFZ-ABAIWWIYSA-N 454.044 5.597 50 10 JKGE C[C@@H](Br)C12CCC(CC1)N2Cc1cccc(Br)c1Br 2097057074 MGBLXGNPQVKCFN-CKQAKLJMSA-N 452.028 5.492 50 10 JKGE FC1(F)CC2(CC([C@H](Br)c3cc(Br)ccc3Br)C2)C1 2102615868 QGRIPUGWBSCUPK-LBPRGKRZSA-N 458.966 6.473 50 10 JKGE C[C@]12CN(Cc3ccccc3)C[C@H]1CN(c1cc(Br)cc(F)c1CBr)C2 2114267928 QCFRXCSYBRUNPE-HRAATJIYSA-N 482.235 5.441 50 10 JKGE CO[C@H]1C[C@@H]([C@@H](Br)c2c(Cl)sc(Br)c2Cl)C[C@H]1OC 2118285002 GEWHPUJBZIQKME-JVZYCSMKSA-N 453.023 5.693 50 10 JKGE FC(F)(F)[C@@H]1C[C@@H]1COc1c(Br)cc(Br)cc1CBr 2128746730 GWUHLOZLIMBSGJ-VXNVDRBHSA-N 466.917 5.684 50 10 JKGE Cc1cc(Br)c(C)c([C@@H](Br)C(C)(C)C(C)(F)F)c1Br 2136367068 NOFQCIVUZWFIBM-GFCCVEGCSA-N 462.998 6.946 50 10 JKGE Cc1cc(F)c(Cl)cc1[C@H](Br)c1ccc(I)c(Cl)c1 2137072113 XKWXLQFEAONHKB-CQSZACIVSA-N 473.938 6.530 50 10 JKGE Cc1c(Br)ccc([C@H](Br)[C@@H]2CCCOC2(C)C)c1Br 2138852807 OXKFOLRAIZPHSB-FZMZJTMJSA-N 455.028 6.161 50 10 JKGE COC[C@@]1([C@@H](Br)c2ccc(Br)c(C)c2Br)CCCO1 2138867643 XXDJCUSZVLWHLT-UONOGXRCSA-N 457.000 5.152 50 10 JKGE COc1c(Br)cc(C)cc1[C@@H](Br)c1cc(C)c(Br)s1 2139003522 RUUYCDPROWKOFD-GFCCVEGCSA-N 469.036 6.383 50 10 JKGE Cc1cccc(COc2c(Br)cc(CCl)cc2Br)c1Br 2144188637 VBTJHZMVKUZLFE-UHFFFAOYSA-N 483.425 6.600 50 10 JKGE Fc1ccc(Br)c([C@@H](Br)c2cc(Br)c3c(c2)CCO3)c1 2146625616 BBLVQGNWIXJGTR-AWEZNQCLSA-N 464.954 5.770 50 10 JKGE Cc1nn(-c2ccc(CBr)cc2C(F)(F)F)c(C)c1I 2150310706 DLHZLPAANIVONU-UHFFFAOYSA-N 459.047 5.007 50 10 JKGE CC(C)Oc1ccc([C@H](Br)c2c(Br)cccc2Br)cc1 2150493870 NMVGHEFPOFHCNY-INIZCTEOSA-N 463.007 6.483 50 10 JKGE Cc1cc(Br)sc1[C@@H](Br)c1cc(C(F)(F)F)ccc1Br 2156075003 NRFXKSUNWXQDGC-NSHDSACASA-N 492.980 7.085 50 10 JKGE FC1(F)[C@@H]2CC[C@@H](Oc3c(Br)cc(CBr)cc3Br)C[C@H]21 2166006765 VWJLBNUZUGJPRK-OPRDCNLKSA-N 474.965 5.919 50 10 JKGE FC1(F)CC2(C[C@H]2COc2c(Br)cc(CBr)cc2Br)C1 2189565775 UMVWWHYQWQUIAO-VIFPVBQESA-N 474.965 5.921 50 10 JKGE CCn1cc(Br)c([C@@H](Br)c2c(Br)cc(F)c(Cl)c2F)n1 2201618960 MPUGNWJPJSAWAB-VIFPVBQESA-N 493.371 5.844 50 10 JKGE COc1cc(F)c([C@H](Br)c2ccc(Cl)c(Br)c2)cc1Br 2202904848 XPUUEHLWAOJMNW-CQSZACIVSA-N 487.388 6.497 50 10 JKGE CCC[C@H]1CC[C@H]([C@@H](Br)c2ccc(Br)c(C)c2Br)CC1 2203685191 JEKDAVXOAZKYMW-PBFPGSCMSA-N 467.083 7.563 50 10 JKGE COc1c(C)cc(Br)cc1[C@@H](Br)c1cc(F)cc(Br)c1 2206572911 YJRSOFDGTLNWFH-AWEZNQCLSA-N 466.970 6.152 50 10 JKGE COc1c(C)cc(Br)cc1[C@@H](Br)c1c(Cl)cccc1Br 2206587275 QFBQBONZIBBWAX-CQSZACIVSA-N 483.425 6.666 50 10 JKGE Cc1c(Br)csc1[C@@H](Cl)c1cc(Br)ccc1Br 2213770970 YPTLDAUGCLTFPS-NSHDSACASA-N 459.428 6.672 50 10 JKGE CC(C)([C@@H]1CCCO1)[C@@H](Br)c1cc(Br)c(Br)cc1F 2225616283 NTWQOZYNINDQSD-STQMWFEESA-N 458.991 5.992 50 10 JKGE COc1ccc(Cl)cc1[C@H](Br)c1cc(C)ccc1I 2232220776 WSWLCKODKAIGOM-OAHLLOKOSA-N 451.529 5.746 50 10 JKGE COc1ccc([C@@H](Br)c2scc(Br)c2Br)cc1C(C)C 2233131334 XYLWAJMNBNWHRP-CYBMUJFWSA-N 483.063 6.889 50 10 JKGE ClCCc1nc2cc(Br)c(Br)cc2n1CC1CC(Br)C1 2234073322 JLIXMXJFMYPSRU-UHFFFAOYSA-N 485.445 5.516 50 10 JKGE Fc1cc(Br)c(Cl)cc1[C@H](Br)c1scc(Br)c1Cl 2253605531 WUOJFMFYKXHGQZ-VIFPVBQESA-N 497.836 7.203 50 10 JKGE CCc1cc([C@@H](Br)c2sc(C)c(C)c2Br)sc1Br 2255979276 KZFTUPBFKPDNPO-LLVKDONJSA-N 473.093 6.998 50 10 JKGE Clc1cc([C@H](Br)c2cc3sc(Br)cc3s2)c(Cl)s1 2263617537 HABZHDYXWKWWKZ-JTQLQIEISA-N 463.068 7.578 50 10 JKGE COc1ccc([C@@H](Br)c2c(F)cccc2I)c(Br)c1 2267741647 TXURMTGKVWRNFS-CQSZACIVSA-N 499.943 5.686 50 10 JKGE COc1cscc1[C@H](Br)c1c(F)cc(Br)c(F)c1Br 2272843208 RYSHVMHVJUSFBG-JTQLQIEISA-N 476.962 6.044 50 10 JKGE Cc1cc(Cl)ccc1[C@H](Br)Cc1cc(Br)cc(Br)c1 2277965845 NWVMMJOAYLVVSS-OAHLLOKOSA-N 467.426 6.852 50 10 JKGE CC(C)Cc1ccc([C@@H](Br)c2ccc(Cl)c(I)c2)cc1 2283587099 PMUNQZFUUREFNN-QGZVFWFLSA-N 463.584 6.627 50 10 JKGE COc1c([C@H](Br)c2nn(C)cc2Br)cc(Br)c(C)c1C 2284587475 LGUGUIBKJJYYFE-LBPRGKRZSA-N 466.999 5.055 50 10 JKGE Fc1cc(Br)c(F)c(Br)c1[C@@H](Br)[C@@H]1C(F)(F)C12CCC2 2288499451 UIZHXPSFEGYPJN-KOLCDFICSA-N 480.919 6.361 50 10 JKGE COc1cc(C=CC(=O)Cl)cc(Br)c1OCc1ccc(Br)cc1 2293941042 WGMBJALGVDABGZ-UHFFFAOYSA-N 460.549 5.578 50 10 JKGE Brc1cc(Br)cc(C[C@H](Br)C2C[C@H]3CCC[C@H](C2)C3)c1 2295333826 OPIMSEPXGDKPCF-PRXAMGSTSA-N 465.067 6.734 50 10 JKGE CCOc1ccc(-c2nn(-c3ccccc3)cc2C=C(C#N)C(=O)NCc2ccco2)cc1C 2296545347 JJIJYAPHAYWNOZ-UHFFFAOYSA-N 452.514 5.063 50 10 JKGE CCCOc1ccc(-c2nn(-c3ccccc3)cc2C=C(C#N)C(=O)Nc2ccc(C)cc2)c(C)c1 2296706745 NPFKYMBSNOMZCA-UHFFFAOYSA-N 476.580 6.491 50 10 JKGE Cc1ccc2cc(C=C(C#N)c3nc(-c4cc5ccccc5oc4=O)cs3)c(Cl)nc2c1 2297315532 KOISPWVGTRJJJK-UHFFFAOYSA-N 455.926 6.491 50 10 JKGE Cc1cccc(CSC(Nc2cccc(Cl)c2C)=C(C#N)S(=O)(=O)c2ccccc2)c1 2297349932 DFDZSLMURQBRHU-UHFFFAOYSA-N 469.031 6.469 50 10 JKGE Brc1cc(OCc2ccccc2)ccc1[C@H](Br)[C@@H]1C[C@H]1C1CCC1 2299491044 BIIVAQMEUOWKMY-ZVDOUQERSA-N 450.214 6.900 50 10 JKGE Brc1ccc(OCc2ccccc2)c([C@H](Br)[C@@H]2C[C@H]3CC[C@@H]2O3)c1 2299503701 HZWDGXBFVMWZMB-BEKAIBRUSA-N 452.186 6.032 50 10 JKGE Cc1ccc(C(=O)O)cc1-n1c(C)cc(C=C(C#N)C(=O)Nc2cccc(Cl)c2Cl)c1C 2313571307 RZMLZJWQHQEPPN-UHFFFAOYSA-N 468.340 5.953 50 10 JKGE COc1cc(C=C(C#N)C(=O)Nc2cc(Cl)ccc2Cl)ccc1OC(=O)c1ccccc1 2313630606 CPYUUZGAXZMXHD-UHFFFAOYSA-N 467.308 5.767 50 10 JKGE COc1cc(C=C(C#N)C(=O)Nc2ccccc2Cl)ccc1OCc1ccc(Cl)cc1Cl 2313630721 FOEWBPSLPJNDBU-UHFFFAOYSA-N 487.770 6.780 50 10 JKGE COc1ccc(C(=O)Oc2cccc(C=C(C#N)C(=O)Nc3ccc(Cl)c(Cl)c3)c2)cc1 2313631620 SUQDMIQYTBCVOU-UHFFFAOYSA-N 467.308 5.767 50 10 JKGE Brc1ccc(OCc2ccccc2)c([C@@H](Br)[C@H]2CC23CCOCC3)c1 2314452161 KIVRODHTPBPSIG-UYAOXDASSA-N 466.213 6.281 50 10 JKGE CC(C)(CC(F)(F)F)[C@@H](Br)c1ccc(OCc2ccccc2)cc1Br 2314455685 QQSMQEXKAPYBGR-KRWDZBQOSA-N 480.162 7.443 50 10 JKGE N#CC(=Cc1ccc(-n2nc(-c3ccccc3)cc2-c2ccccc2)cc1)C(=O)NCc1ccco1 2314482636 QJLOOLPKLMYFLF-UHFFFAOYSA-N 470.532 6.023 50 10 JKGE CCCCOc1cc(C=C(C#N)C(=O)Nc2sc3c(c2C(=O)OCC)CC[C@H](C)C3)ccc1OC 2314571594 IFRLTRXNQWBZJE-KRWDZBQOSA-N 496.629 5.783 50 10 JKGE COc1ccc(N2C(=O)[C@@H](Cc3ccc(C)c(C)c3)SC2=C(C#N)C(=O)NCc2ccccc2)cc1 2314593414 MRABMQFDIDJMHG-AREMUKBSSA-N 497.620 5.055 50 10 JKGE Cc1nc(Br)c([C@@H](Cl)c2c(Br)sc(Br)c2Cl)n1C 2315598115 MNQNAYOTCFEQGT-YFKPBYRVSA-N 497.865 6.059 50 10 JKGE COc1c(Br)cc(C)cc1[C@H](Br)c1cnsc1Br 2315620105 QZSFADSBXIAYOL-JTQLQIEISA-N 455.997 5.469 50 10 JKGE CC(C)(C)OC(=O)NC[C@](C)(CBr)OCCCc1cc(Cl)cc(Cl)c1 2318688614 UNEHRTIBOKSOCE-SFHVURJKSA-N 455.220 5.621 50 10 JKGE N#CC(=C(O)COc1cc(Cl)ccc1Cl)c1nc(-c2ccc(Cl)cc2Cl)cs1 2331251512 WRFDXDMWGJDWCL-UHFFFAOYSA-N 472.180 7.295 50 10 JKGE CC(C)(C)c1ccc(OCCCC(O)=C(C#N)c2nc(-c3ccc(Br)cc3)cs2)cc1 2331260660 XBLNINSHMGOLHS-UHFFFAOYSA-N 497.458 7.522 50 10 JKGE CSCC[C@H](C(O)=C(C#N)c1nc(-c2ccc(C)cc2C)cs1)N1C(=O)c2ccccc2C1=O 2331311058 KASMKYCRWZSWSM-JOCHJYFZSA-N 489.622 5.638 50 10 JKGE COc1c(Cl)ccc(Cl)c1C(O)=C(C#N)c1nc(-c2cccc3ccccc23)cs1 2331339630 VBLDBSDYVWYJBY-UHFFFAOYSA-N 453.350 7.229 50 10 JKGE CCCCCCCOc1ccc(-c2csc(C(C#N)=C(O)COc3c(C)ccc(C)c3C)n2)cc1 2331345528 QZUXJOHBVHVUJT-UHFFFAOYSA-N 490.669 7.956 50 10 JKGE COc1ccc(CC(O)=C(C#N)c2nc(-c3cc(C(C)C)c(OC)cc3C)cs2)c(OC)c1 2331352249 XOWGLGCVKISRDS-UHFFFAOYSA-N 464.587 6.303 50 10 JKGE COc1c(C)cc(Cl)cc1-c1csc(C(C#N)=C(O)CCCOc2c(C)cccc2C)n1 2331392229 GSLLALAMCQREGH-UHFFFAOYSA-N 469.006 7.049 50 10 JKGE CCc1ccc(OCCCC(O)=C(C#N)c2nc(-c3cc(Cl)cc(C)c3OC)cs2)cc1 2331392257 JRPKJFYCGMTLHI-UHFFFAOYSA-N 469.006 6.995 50 10 JKGE Cc1cc(C)c(-c2csc(C(C#N)=C(O)[C@@H](CC(C)C)N3C(=O)c4ccccc4C3=O)n2)c(C)c1 2331393038 HJNPJRSDTPODLL-HSZRJFAPSA-N 485.609 6.239 50 10 JKGE COC(=O)c1ccccc1N1C[C@@H](C(O)=C(C#N)c2nc(-c3ccc(Cl)s3)cs2)CC1=O 2331402099 OBIGOMSBSBMWBD-LBPRGKRZSA-N 485.974 5.157 50 10 JKGE COc1ccc(Cl)cc1-c1csc(C(C#N)=C(O)Cc2cc(Cl)ccc2Cl)n1 2331409014 IPDRTPPRBOIJIZ-UHFFFAOYSA-N 451.762 6.814 50 10 JKGE COc1cc(C=C(C#N)c2nc(-c3ccc(OC)c4ccccc34)cs2)ccc1OC(C)C 2331489256 MUMGCBABGLOMTC-UHFFFAOYSA-N 456.567 6.832 50 10 JKGE CC12CC([C@H](Br)c3cc(Br)ccc3OCc3ccccc3)(C1)C(C)(C)O2 2336071410 CJJDSYKFKILBDY-JSRJAPPDSA-N 480.240 6.812 50 10 JKGE Cc1cc(Br)c(F)c(Br)c1[C@H](Br)CC[C@H]1CCCO1 2339647270 ZHHYDROFWVQZRG-NXEZZACHSA-N 458.991 6.054 50 10 JKGE Cc1cc(Br)c(F)c(Br)c1[C@@H](Br)c1csc(C)c1C 2339679880 QAAKFDAMMPKEMU-LBPRGKRZSA-N 471.027 6.822 50 10 JKGE CC1(C)C[C@@H](Cl)CCN(Cc2ccc(I)c(Br)c2)C1 2349848257 RATCDYWBCUXTGA-LBPRGKRZSA-N 456.593 5.283 50 10 JKGE BrC[C@]12CCC[C@H](CN(Cc3c(Br)cccc3Br)C1)C2 2357622420 HDGIEXLYAVOVQN-BLLLJJGKSA-N 466.055 5.599 50 10 JKGE COc1c(F)c(F)cc([C@@H](Cl)c2sc(Br)cc2Br)c1F 2361164708 CIBZAJPZYJDXEH-MRVPVSSYSA-N 450.501 6.027 50 10 JKGE COCc1cc(Br)cc(C[C@@H](Br)c2ccc(Br)cc2)c1 2362285013 SKJMLUGYLQHUKT-MRXNPFEDSA-N 463.007 6.037 50 10 JKGE Clc1ccc(CN2[C@H](CBr)C[C@H]3CCCC[C@@H]32)cc1I 2362369491 YDUKGAZTEFZJDW-WWGRRREGSA-N 468.604 5.473 50 10 JKGE Cc1c(Br)sc([C@H](Cl)C23COC(C(F)(F)F)(C2)C3)c1Br 2363911725 YCHVPVDCRONVOF-PUSIOWJLSA-N 454.533 5.973 50 10 JKGE COc1cc(Br)c(C)cc1[C@H](Cl)c1c(Br)c(Br)nn1C 2364064297 QMCUWVMFSRVRCN-NSHDSACASA-N 487.417 5.353 50 10 JKGE COc1c(Br)cc(C)c([C@H](Br)[C@@H]2C[C@@H]2[C@H]2C[C@@H]2C)c1Br 2365192568 WMRMWKSBIDLRLM-WVIBAAIISA-N 467.039 6.257 50 10 JKGE CC1CCC(CBr)(NC(=O)c2ccc(Cl)cc2I)CC1 2365587582 YYKHRQIBRIPBCN-UHFFFAOYSA-N 470.576 5.018 50 10 JKGE Cc1cc(Br)c([C@@H](Br)c2cc3c(cc2Br)OCCC3)s1 2369613948 TVDVQWNITYBGMD-AWEZNQCLSA-N 481.047 6.391 50 10 JKGE Clc1c(Br)csc1[C@@H](Cl)c1cc2c(cc1Br)OCCC2 2369641108 WKKDIFQKNIXZOF-LBPRGKRZSA-N 457.014 6.580 50 10 JKGE Cc1cc(Br)c([C@H](Br)c2cccc(C(C)C)c2)cc1Br 2369692953 ULUTYXJBWGYNFD-QGZVFWFLSA-N 461.035 7.128 50 10 JKGE C[C@@H]1[C@H](C(F)(F)F)N(CC2(CBr)CC(C)(C)C2)CCN1C(=O)OC(C)(C)C 2371133144 LUGUUAUYBVJDIO-ZIAGYGMSSA-N 457.375 5.060 50 10 JKGE COc1cccc([C@@H](Cl)CCc2ccc(I)c(Br)c2)c1 2377311925 AFXQXAAFXRISDV-HNNXBMFYSA-N 465.556 5.975 50 10 JKGE Cc1cc(Br)c(F)c(Br)c1[C@H](Br)[C@H]1C[C@@H](C(F)(F)F)C1 2380889629 MNYVLPWZBIPWBF-MATHAZKKSA-N 482.935 6.684 50 10 JKGE Cc1ccc(CN(C(=O)CCCl)[C@H](C(=O)NC2CCCCC2)c2ccc(Cl)cc2)cc1 3035416 STOOFPXGFALVHB-DEOSSOPVSA-N 461.433 5.796 50 10 JKGE C/C(=N/NC(=O)c1ccc(COc2c(Br)cc(C)cc2Br)cc1)C1CC1 35383881 UTUNMEPKPNJBAL-QRVIBDJDSA-N 480.200 5.615 50 10 JKGE CCCOc1ccccc1C(=O)Oc1ccc2c(c1)OC(N)=C(C#N)[C@H]2c1ccc(C(C)C)cc1 38649660 NUZWNSOVGDNGGV-MHZLTWQESA-N 468.553 6.036 50 10 JKGE CCOc1cccc(C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@H]3c2ccc(Cl)c(Cl)c2)c1 38655990 TYGLPLSUSILRPU-QHCPKHFHSA-N 481.335 5.829 50 10 JKGE COc1ccc(/C=C/C(=O)Oc2ccc(/C=C(\C#N)c3nc(-c4ccco4)cs3)cc2)cc1 39868069 NYZITXKNBSSPAX-QOSRDPBLSA-N 454.507 6.095 50 10 JKGE Cc1ccc(NC(=O)/C(C#N)=C/c2c(Oc3ccccc3F)nc3c(C)cccn3c2=O)cc1C 39993008 BMCCSBHSOCTCFO-XMHGGMMESA-N 468.488 5.097 50 10 JKGE CCc1ccc(OC(=O)c2oc3c(c2C)/C(=N/NC(=O)c2ccc(Cl)cc2Cl)CCC3)cc1 40813760 KKOYAYSEHVHCTM-VFCFBJKWSA-N 485.367 6.147 50 10 JKGE N#C/C(=C\c1cc(Br)c(N2CCCC2)o1)C(=O)Nc1ccc(Cl)cc1Cl 59248248 GADJXOIWHGDSBW-YRNVUSSQSA-N 455.139 5.495 50 10 JKGE CCOc1ccccc1N/C=C(\C#N)c1nc(-c2cc3cc(Br)ccc3oc2=O)cs1 100222587 JPBDPGIXLWPETI-NTCAYCPXSA-N 494.370 6.054 50 10 JKGE CC(C)CC1([C@H](Br)c2cc(Br)c(Br)s2)CCCC1 128240899 BXUBSAIPNIWQJC-GFCCVEGCSA-N 459.085 7.316 50 10 JKGE Cc1cc(Br)c([C@H](Br)c2cc3ccc(F)cc3s2)cc1Br 128754038 WSMGUMGFEHPPRX-INIZCTEOSA-N 493.033 7.358 50 10 JKGE Brc1ccc([C@@H](CI)O[C@H]2CCCc3ccccc32)cc1 162077552 VGHBPDPCLAAZTO-ZWKOTPCHSA-N 457.149 6.019 50 10 JKGE CCCCCCCCO[C@@](C)(CI)c1ccccc1Br 162207121 XHFQHWVSGGTYEO-KRWDZBQOSA-N 453.202 6.476 50 10 JKGE Cc1ccc(/C=C\C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@H]3c2cccc3ccccc23)cc1 205647588 PTASIMXPVIUBMG-GZZSIDQHSA-N 458.517 5.985 50 10 JKGE CC1=C(C#N)C(=O)N(CC(C)C)C(=O)/C1=C\c1cn(-c2ccccc2)nc1-c1ccc(C)c(F)c1 214272254 ZQWNILUGYOHHFP-FMCGGJTJSA-N 468.532 5.235 50 10 JKGE N#C/C(=C/Nc1cccc(Br)c1)C(=O)Nc1ccccc1Sc1ccccc1 217243797 WZUBMVBNSZITJN-NXVVXOECSA-N 450.361 6.058 50 10 JKGE Cc1sc([C@@H](Br)c2cccc(I)c2)cc1Br 227832530 MRRMMUQFSDGZGO-LBPRGKRZSA-N 471.983 5.908 50 10 JKGE Fc1c(F)c(F)c([C@@H](Br)c2cc(Br)c(Cl)s2)c(F)c1F 227845360 SETVHIWFUXRQNC-YFKPBYRVSA-N 456.455 6.344 50 10 JKGE CCOc1ccc([C@H](Br)c2sccc2Br)cc1Br 228998000 PBTQCNMKEMKQDG-LBPRGKRZSA-N 455.009 6.156 50 10 JKGE COc1ccc(Cl)cc1[C@H](Br)c1ccc(I)c(Cl)c1 232345303 PKHUOAXVICBKDS-CQSZACIVSA-N 471.947 6.091 50 10 JKGE CCc1ccc(CC)c([C@H](Cl)c2cc(I)ccc2Br)c1 234185319 JDQNVUMBYHNXPQ-KRWDZBQOSA-N 463.584 6.507 50 10 JKGE C[C@H](Cl)c1nnc(Nc2c(Br)cc(Br)cc2Br)o1 235499284 ROBLTRMWSMSAJF-BYPYZUCNSA-N 460.351 5.401 50 10 JKGE Cl[C@H](Cc1nc2ccccc2o1)c1cc(Br)ccc1I 236034119 JKADRLMTXDVHNF-LLVKDONJSA-N 462.512 5.718 50 10 JKGE COc1ccc(CC(=O)Nc2cccc(C(C)=NNC(=O)c3cc(Cl)ccc3Cl)c2)cc1 252626716 REGJHTCYHZMKJV-UHFFFAOYSA-N 470.356 5.337 50 10 JKGE CC(=NNC(=O)c1ccc(N(Cc2ccccc2)S(C)(=O)=O)cc1)c1ccc(C(C)(C)C)cc1 254835065 RITQXHFRYOGNMK-UHFFFAOYSA-N 477.630 5.104 50 10 JKGE CCCCCCCCCCCC(=O)NCC(=O)NN=Cc1ccc(OC(=O)c2cccc(C)c2)cc1 254841386 NFKGGBYKNQQWPP-UHFFFAOYSA-N 493.648 5.701 50 10 JKGE CC(C)(C)OC(=O)N1CCC[C@@](CBr)(OCc2ccccc2Br)C1 303741473 ONBUKUDYZAEKFO-SFHVURJKSA-N 463.210 5.130 50 10 JKGE Fc1ccc([C@@H](Br)c2cccc(OCc3ccccc3)c2)cc1Br 310540612 QRASDZDPYLWKPX-FQEVSTJZSA-N 450.145 6.652 50 10 JKGE Cc1cccc(Br)c1[C@@H](Br)c1cc(Br)cc2c1OCC2 380783348 SUAPAHPAOGZBSQ-HNNXBMFYSA-N 460.991 5.939 50 10 JKGE Fc1ccc([C@H]2CN(Cc3ccccc3)C[C@@H]2CI)c(Br)c1 382697599 BJYBCFZEAVPIGS-YOEHRIQHSA-N 474.155 5.239 50 10 JKGE O=C(OCc1ccccc1)N1C[C@@H](CI)[C@@H](c2ccccc2Cl)C1 382702353 DADSNTMAOQNJCR-WBVHZDCISA-N 455.723 5.127 50 10 JKGE Brc1ccc(Br)c([C@@H](Br)Cc2ccccc2Br)c1 692424554 CREMCZLHDGJZBM-AWEZNQCLSA-N 497.850 6.653 50 10 JKGE Fc1ccc(CC(CBr)(CBr)C2CCCCC2)cc1Br 696838955 UOYQAKLJFGLYPF-UHFFFAOYSA-N 471.046 6.487 50 10 JKGE ClCc1nc2cccc(Br)c2n1-c1c(Br)cccc1Br 700073961 AGYKDXOPRXJYTG-UHFFFAOYSA-N 479.397 6.052 50 10 JKGE BrCc1c(Br)cccc1N1C[C@H]2CC[C@H]1[C@@H]1CN(Cc3ccccc3)C[C@H]21 705886860 UAQVHRVILXYKBE-CFKGEZKQSA-N 490.283 5.691 50 10 JKGE CCOc1ccc(C(=O)NN=Cc2c(OCc3cccc4ccccc34)ccc3ccccc23)cc1 1084191317 XSBUPHZYQWTBNQ-UHFFFAOYSA-N 474.560 6.735 50 10 JKGE COc1cc(/C=C(\C#N)C(=O)Nc2ccc(C)cc2)cc(Br)c1OCc1ccc(C)cc1 1084249790 ZBVYOXLFIHKWCJ-CIAFOILYSA-N 491.385 6.199 50 10 JKGE CCOc1cccc(NC(=O)/C(C#N)=C/c2cc(C)n(-c3ccc(C(=O)O)c(Cl)c3)c2C)c1 1084363941 YBAIDGSZIWVCRK-WOJGMQOQSA-N 463.921 5.390 50 10 JKGE CCOc1ccc([C@H](O)CCC(=O)NN=Cc2cn(Cc3ccc(Cl)cc3)c3ccccc23)cc1 1084373242 JAFHVPKPXHGROS-HHHXNRCGSA-N 490.003 5.706 50 10 JKGE Cc1ccc(C(C)C)c(OCC(=O)NN=Cc2ccc(OCc3ccccc3Cl)cc2)c1 1772754509 IXQSQBNRNLQSKO-UHFFFAOYSA-N 450.966 5.880 50 10 JKGE CC(C)(C)c1ccc([C@@H]2C(C#N)=C(N)Oc3c2c(C(F)(F)F)nn3Cc2ccccc2F)cc1 1865682163 HQHISZNETVOEHD-LJQANCHMSA-N 470.470 5.605 50 10 JKGE Cc1ccc(Cn2nc(C(F)(F)F)c3c2OC(N)=C(C#N)[C@H]3c2cccc3ccccc23)cc1 1865682297 LJYXYGSENGWCNR-OAQYLSRUSA-N 460.459 5.630 50 10 JKGE COc1ccc(-n2nc(C(F)(F)F)c3c2OC(N)=C(C#N)[C@@H]3c2c(Cl)cccc2Cl)cc1 1865685446 IWPNBWPFRZZXKQ-OAHLLOKOSA-N 481.261 5.425 50 10 JKGE CC(C)c1ccc([C@@H]2C(C#N)=C(N)Oc3c2c(-c2ccccc2)nn3-c2cccc3ccccc23)cc1 1865686060 QKMVTWUHXMPPGB-MUUNZHRXSA-N 482.587 7.034 50 10 JKGE COc1ccc(-c2nn(Cc3ccccc3F)c3c2[C@@H](c2ccc(C)cc2)C(C#N)=C(N)O3)cc1 1865686149 RJBNETBBBOLYLH-DEOSSOPVSA-N 466.516 5.273 50 10 JKGE CCCCCOc1ccc([C@H]2C(C#N)=C(N)Oc3c2c(C)nn3-c2ccccc2)cc1OCC 1865691405 QYHKMPCOMOKUMM-VWLOTQADSA-N 458.562 5.367 50 10 JKGE CCCOc1c(OC)cccc1[C@@H]1C(C#N)=C(N)Oc2c1c(CCC)nn2-c1ccc(Cl)cc1 1865693499 ORQFPDZBZIYLJF-JOCHJYFZSA-N 478.980 5.494 50 10 JKGE Cn1cc([C@@H]2C(C#N)=C(N)Oc3c2c(-c2ccccc2)nn3Cc2cccc(Cl)c2)c2ccccc21 1865699341 QZPCQFBZHOLAKU-VWLOTQADSA-N 491.982 5.962 50 10 JKGE CC(C)Oc1ccccc1[C@H]1C(C#N)=C(N)Oc2c1c(-c1ccccc1)nn2-c1cccc2ccccc12 1865705163 NTGLKNUYJGOECP-NDEPHWFRSA-N 498.586 6.698 50 10 JKGE CCc1nn(-c2ccc(Cl)c(Cl)c2)c2c1[C@@H](c1ccc(C(F)(F)F)cc1)C(C#N)=C(N)O2 1865711433 YJDMURFBRHKTMZ-SFHVURJKSA-N 479.289 5.978 50 10 JKGE Cc1nn(C)c2c1[C@@H](c1ccc(OCc3ccccc3)c(OCc3ccccc3)c1)C(C#N)=C(N)O2 1865712213 SISNVKJRVQIBSQ-MHZLTWQESA-N 478.552 5.105 50 10 JKGE N#CSc1ccc(NC(=O)[C@@H](Cc2ccccc2)NC(=O)c2cccc(-n3cccc3)c2)cc1 1866615983 NPOCRNQKERKOCD-RUZDIDTESA-N 466.566 5.030 50 10 JKGE COc1ccc([C@H]2CN(c3cc(Nc4ccc(SC#N)cc4)nc(C(C)(C)C)n3)CCS2)cc1 1868342116 KUYQILWRISHFOQ-JOCHJYFZSA-N 491.686 6.394 50 10 JKGE N#C/C(=C(O)\C=C\c1ccc(Cl)cc1Cl)c1nc(-c2cccc(Br)c2)cs1 1872746192 XDCOWTHYXHKVQH-BCGFRQHJSA-N 478.198 7.385 50 10 JKGE CCc1cccc(CC)c1N1C[C@H](/C(O)=C(\C#N)c2nc(-c3ccc(OC)c(C)c3)cs2)CC1=O 1872746418 HACKMUCLWJGSOH-DKIZWKKFSA-N 487.625 6.098 50 10 JKGE COc1ccc(/C=C/C(O)=C(\C#N)c2nc(-c3ccc(Cl)c(Cl)c3)cs2)c(OC)c1 1872748617 FWWGYOPUVCQKBH-ZKVDAEGBSA-N 459.354 6.640 50 10 JKGE CC[C@H](C)[C@H](/C(O)=C(\C#N)c1nc(-c2ccc(C)cc2)cs1)N1C(=O)c2ccccc2C1=O 1872749210 HBHFFEWINYRNCN-XTBXMFNISA-N 457.555 5.622 50 10 JKGE CCOC(=O)Oc1ccc(/C(O)=C(\C#N)c2nc(-c3cc(OC)c(Cl)cc3OC)cs2)cc1 1872754889 NOACTZWVNHCMQR-PGMHBOJBSA-N 486.933 5.966 50 10 JKGE COc1c(Cl)cc(-c2csc(/C(C#N)=C(\O)CCc3nc4ccccc4[nH]c3=O)n2)cc1Cl 1872755824 HYQRWMBFYUSKDO-MOSHPQCFSA-N 499.379 5.787 50 10 JKGE COc1ccc(-c2csc(/C(C#N)=C(\O)[C@@H](C)Oc3ccc(Cl)cc3)n2)c(OC)c1OC 1872759342 KYVRUIPNOXGCGE-PWLTZZKVSA-N 472.950 5.749 50 10 JKGE COc1ccc(OC/C(O)=C(\C#N)c2nc(-c3ccc(F)cc3F)cs2)c(C(C)(C)C)c1 1872817935 DSHPBKCUGPROJO-FXBPSFAMSA-N 456.514 6.266 50 10 JKGE C[C@H](CBr)N(Cc1ccccc1)Cc1ccc(Cl)cc1I 1889652577 UAJGYBWKFQBZJH-CYBMUJFWSA-N 478.599 5.730 50 10 JKGE FC(F)(F)c1ccc(N(Cc2ccccc2)C2(CBr)CCC2)c(Br)c1 1915762892 SAZCTFFQMWTEBR-UHFFFAOYSA-N 477.162 6.792 50 10 JKGE Cc1c(Br)sc([C@H](Br)[C@@H]2CC(C)(C)OC2(C)C)c1Br 1922911512 DBSPMAHDEOATRA-WCBMZHEXSA-N 475.084 6.611 50 10 JKGE Cc1c(Br)sc([C@@H](Br)C(C)(C)[C@H]2CCCO2)c1Br 1922932692 OECGSYFKQDTTAJ-LDYMZIIASA-N 461.057 6.223 50 10 JKGE Clc1c(Br)sc(Br)c1[C@H](Br)[C@H]1CC2CCC1CC2 1923038961 LZZVSDFJIXWWAE-LXKYZYTISA-N 477.487 7.189 50 10 JKGE C[C@@H]1CCO[C@@H]1[C@@H](Cl)c1c(Br)sc(Br)c1Br 1924570029 DGLDKPRDXXTGDQ-WDZBIPAOSA-N 453.421 5.741 50 10 JKGE CCCC[C@H](CC)[C@@H](Cl)c1c(Br)sc(Br)c1Br 1924583827 PNPNTPGMYJOAKR-OIBJUYFYSA-N 467.492 7.532 50 10 JKGE Clc1sc([C@H](Br)c2csnc2Br)cc1Br 1925226439 UOOVBYINYLOOKI-ZCFIWIBFSA-N 452.418 5.867 50 10 JKGE Clc1cc([C@H](Br)c2c(Cl)sc(Br)c2Cl)c(Cl)s1 1925571771 VMLNKMYTEJGACL-YFKPBYRVSA-N 475.869 7.670 50 10 JKGE Cc1cc([C@H](Br)c2cccc(Br)c2Br)sc1Cl 1943903096 LGAWSZXDGSGRDX-LLVKDONJSA-N 459.428 6.719 50 10 JKGE COc1ccc([C@@H](Br)c2cc(C)sc2Br)cc1Br 2039502648 JTRAEQROYYOSHZ-GFCCVEGCSA-N 455.009 6.074 50 10 JKGE FC1(F)[C@@H]2[C@@H]([C@@H](Br)c3c(Br)sc(Br)c3Cl)CC[C@H]21 2040542678 RZGXPVKWAYYWMN-ZXMNWKEDSA-N 485.413 6.654 50 10 JKGE Cc1cc([C@H](Cl)c2ccc(Br)cc2Br)ccc1Br 2083329401 CTDLXKVNSQUSFA-AWEZNQCLSA-N 453.399 6.611 50 10 JKGE BrCc1ccc(N2CCC[C@H]2[C@H]2CCN(Cc3ccccc3)C2)cc1Br 2088999143 AIBFHCRTBVRAHE-UGKGYDQZSA-N 478.272 5.835 50 10 JKGE COc1ccc([C@H](Br)c2csc(Br)c2Br)cc1OC 2093942200 MNTISBRCMZHGTH-NSHDSACASA-N 471.008 5.775 50 10 JKGE Cc1cc(F)c([C@@H](Br)c2c(Br)cccc2Br)cc1C 2094095007 IDPYPGYQAMWHTE-OAHLLOKOSA-N 450.971 6.452 50 10 JKGE CC(C)[C@@H](Br)C(=O)N(CCCNC(=O)OC(C)(C)C)c1cccc(Br)c1 2106778489 DROBZQDQKXQNSM-MRXNPFEDSA-N 492.252 5.116 50 10 JKGE C[C@@H](CCn1c(CCl)nc2cc(Cl)c(Br)cc21)N(C)Cc1ccccc1 2112691347 RLYDUTNMDCOQNA-AWEZNQCLSA-N 455.227 6.102 50 10 JKGE C[C@@H]1CCC[C@@](CBr)(Cc2cc(Br)ccc2Br)CC1 2118528486 QKAAXLKRSKUMDF-WBMJQRKESA-N 453.056 6.736 50 10 JKGE CCC(CC)(CBr)CN=[S@@](=O)(C(C)C)[C@@H]1CCN(C(=O)OC(C)(C)C)C1 2126848954 GGRQJBHAVQXWQK-AKJBCIBTSA-N 453.487 5.074 50 10 JKGE Brc1cccc(Br)c1C[C@@H]1C[C@@H](Br)CC2(CCC2)C1 2127176008 DEYDUJCHPSVSKF-NWDGAFQWSA-N 451.040 6.488 50 10 JKGE Cc1cc(Br)c(C)c([C@H](Br)C2CC(C3CC3)C2)c1Br 2136371771 VAKCJNHNVXYENE-ZEPSKSRBSA-N 451.040 6.701 50 10 JKGE Cc1cc(Br)c(C)c([C@H](Br)c2cc(Cl)n(C)n2)c1Br 2136373781 FYOTVWVIAGFBRL-CYBMUJFWSA-N 471.418 5.700 50 10 JKGE Cc1cc(Br)c(C)c([C@H](Br)[C@@](C)(F)C(C)(C)F)c1Br 2136377333 OASSFRCJRZRCNK-GXTWGEPZSA-N 462.998 6.741 50 10 JKGE CC(C)(C)OC(=O)N1CCC[C@](CI)(O[C@@H]2CCC[C@@H]3CCCC[C@H]32)C1 2136423420 MVVKSGCYPPLKEO-XKGFGPFHSA-N 477.427 5.567 50 10 JKGE COCc1cc(Br)c([C@H](Br)c2cc(C)cc(Br)c2F)s1 2145593438 NEQMWZVHXRPYJF-GFCCVEGCSA-N 487.026 6.351 50 10 JKGE Cc1ccc(C[C@@H](CBr)Cc2cccc(Br)c2Br)cc1 2148751847 LROJYLBOJAMVED-CQSZACIVSA-N 461.035 6.316 50 10 JKGE Cc1c(Br)c(COc2c(Br)cc(CCl)cc2Br)nn1C 2150235256 NLJLXIKZRSICQX-UHFFFAOYSA-N 487.417 5.334 50 10 JKGE CN(C[C@H](Br)C1CCCC1)C(=O)c1ccc(Br)cc1Br 2167646552 KZVHMTMANBWVOD-AWEZNQCLSA-N 468.027 5.237 50 10 JKGE Cc1cc(Br)c(CBr)c(N2CCC3(CCN(Cc4ccccc4)CC3)C2)c1 2173448043 USYNLGPQWMWNOG-UHFFFAOYSA-N 492.299 6.145 50 10 JKGE Fc1cccc(C[C@@H](CBr)Cc2cc(Br)ccc2Br)c1 2175148248 WLMWHDIJZLBYRK-GFCCVEGCSA-N 464.998 6.147 50 10 JKGE CCn1cc(Br)c([C@@H](Cl)c2c(C)c(Br)cc(C)c2Br)n1 2201068535 ROJOMQISBFRSKU-ZDUSSCGKSA-N 485.445 6.136 50 10 JKGE Cc1cc(Cn2c(CCl)nc3cc(I)ccc32)sc1Br 2202310785 XESLLLOVUMXFLA-UHFFFAOYSA-N 481.584 5.560 50 10 JKGE CCC12COC([C@H](Br)c3c(C)c(Br)cc(C)c3Br)(C1)C2 2205188791 ODUQBGNIBXQELR-QQFBHYJXSA-N 467.039 6.224 50 10 JKGE CC[C@]1([C@H](Br)c2c(Br)cc(Cl)c(Cl)c2Cl)CCCO1 2224325088 XEWDJOSYLDPVCX-CHWSQXEVSA-N 451.413 6.805 50 10 JKGE Cl[C@H](c1c(Br)sc(Br)c1Br)[C@H]1C[C@H]2CCC[C@H](C2)C1 2225322490 UGWOHLQJGFLGRG-NHRVJRKFSA-N 491.514 7.532 50 10 JKGE Cc1cccc([C@@H](Br)c2cc(Br)c(Br)cc2F)c1C 2225617916 WMKGPGUYIYSFPP-OAHLLOKOSA-N 450.971 6.452 50 10 JKGE C[C@@H](Cl)c1nc2cc(Br)c(Br)cc2n1[C@@H]1CCN(Cc2ccccc2)C1 2225687001 LYZVCYCXNRSZPD-UKRRQHHQSA-N 497.662 6.308 50 10 JKGE Fc1cc(Br)cc2c1nc(CCCl)n2C1(CCOCc2ccccc2)CC1 2232921591 GXCYILFLHMCCOA-UHFFFAOYSA-N 451.767 5.815 50 10 JKGE COc1c(C(C)C)cc(Br)cc1[C@H](Br)c1cc(Br)cs1 2233167896 SPWMAOZXLSQAGL-AWEZNQCLSA-N 483.063 6.889 50 10 JKGE Cn1cnc2sc([C@@H](Br)c3cc(Br)c(Br)cc3F)cc21 2233975162 ITFFEUJFHWSDMW-LBPRGKRZSA-N 482.998 5.783 50 10 JKGE Cc1ccc(F)c([C@H](Br)c2c(Br)cc(C)c(Br)c2C)c1 2235602178 CPEYQICKXHYZPQ-INIZCTEOSA-N 464.998 6.760 50 10 JKGE Cc1cc(Br)c([C@@H](Br)C2(C(C)(C)C)CCC2)c(C)c1Br 2235606422 BZBQSCYBRQHOEM-OAHLLOKOSA-N 467.083 7.481 50 10 JKGE Cc1cc(Br)c([C@H](Br)C2C[C@H]3[C@H](C2)C3(C)C)c(C)c1Br 2235615785 VKQOIUSKWVZQJH-MQIPJXDCSA-N 465.067 6.947 50 10 JKGE COc1ccc(Br)cc1[C@@H](Br)c1cc(C)c(Br)c(C)c1 2235679440 QXTBETUDRJZXRU-INIZCTEOSA-N 463.007 6.321 50 10 JKGE Cc1cc([C@@H](Br)c2ccc(F)c(Br)c2F)cc(C)c1Br 2235680364 XCQVFUOCOBUTNR-CYBMUJFWSA-N 468.961 6.591 50 10 JKGE COc1cc(Br)c([C@H](Br)c2ccc(C)c(Br)c2)cc1C 2236010389 QLBNXKHNABHEFW-MRXNPFEDSA-N 463.007 6.321 50 10 JKGE Cn1cc(Br)c([C@@H](Br)c2cc3sc(Br)cc3s2)n1 2263633869 ZKWGRMVTVZBWBV-JTQLQIEISA-N 471.037 5.706 50 10 JKGE COc1ccc([C@@H](Cl)c2sc(C)c(C)c2Br)cc1I 2269556246 MMWOBEXIQJDPNP-CYBMUJFWSA-N 471.585 6.069 50 10 JKGE C[C@]12C[C@]([C@H](Br)c3c(F)cc(Br)c(F)c3Br)(CO1)C2 2272721348 GYWHDULJCRUPHH-JHJVBQTASA-N 460.938 5.495 50 10 JKGE CC[C@@H]1OCC[C@H]1[C@H](Br)c1c(F)cc(Br)c(F)c1Br 2272737298 BSQCHDBNYAIVJT-PUMQYWBSSA-N 462.954 5.741 50 10 JKGE CCCN[C@H](c1c(F)cc(Br)c(F)c1Br)[C@H]1C[C@H]1Br 2272746931 DIIWCPBWCCFZFZ-NFNXHLSSSA-N 461.970 5.314 50 10 JKGE CS(=O)(=O)c1cscc1[C@@H](Br)c1c(Cl)sc(Br)c1Cl 2272867437 HRAIREQZKFWBCM-SSDOTTSWSA-N 485.071 5.767 50 10 JKGE COc1cc(OC)c([C@H](Br)c2sccc2Br)cc1Br 2278037750 CGHRAOKBBRCRPR-LBPRGKRZSA-N 471.008 5.775 50 10 JKGE COc1ccc([C@@H](Cl)Cc2ccc(Br)cc2F)cc1I 2284996497 JJHCULDWJZRHLM-LBPRGKRZSA-N 469.519 5.724 50 10 JKGE Fc1cc(Br)c(F)c(Br)c1[C@H](Br)[C@@H]1C[C@H]2C[C@H]1[C@H]1C[C@@H]12 2288348439 FPIQSGNYJAGSLE-DCBYBZGNSA-N 470.977 6.218 50 10 JKGE N#CC(=Cc1ccccc1)C(=O)Oc1ccc2c(=O)c(Oc3ccccc3Br)coc2c1 2293198302 RUZDPAAHJNNLGM-UHFFFAOYSA-N 488.293 5.860 50 10 JKGE N#CC(=Cc1ccc(OCc2ccc(Br)cc2)cc1)C(=O)Nc1ccc(Cl)cc1 2294262174 GTESQQVDCNIUKV-UHFFFAOYSA-N 467.750 6.227 50 10 JKGE CCCc1cc(C(=O)OC)c(NC(=O)C(C#N)=Cc2cn(-c3ccccc3)nc2-c2ccccc2)s1 2295347897 PROYBPOMOPHNCH-UHFFFAOYSA-N 496.592 5.886 50 10 JKGE CCOC(=O)c1c(NC=C(C#N)c2nc(-c3ccc(C)cc3)cs2)sc(C(=O)OC)c1C 2296790013 JKXZREDIEVLNTO-UHFFFAOYSA-N 467.572 5.428 50 10 JKGE COc1ccc(-c2csc(C(C#N)=CNc3ccc(Br)cc3C)n2)cc1OC 2296800490 ACPITZSASBZUAH-UHFFFAOYSA-N 456.365 5.875 50 10 JKGE COc1cc(C=C(C#N)c2ccc(Cl)cc2)ccc1OC(=O)COc1ccccc1Br 2297367642 RBFAVZJPGNWUOL-UHFFFAOYSA-N 498.760 6.160 50 10 JKGE COC(=O)c1cc(Br)ccc1-c1ccc(C=C(C#N)c2nc3ccccc3s2)o1 2297368286 NHLVOKPNFHQFNY-UHFFFAOYSA-N 465.328 6.170 50 10 JKGE CC[C@@H](C)Oc1c(I)cc(C=C(C#N)c2ccc(C(=O)O)cc2)cc1OC 2297378571 FFJSOGJFBBKZNH-CYBMUJFWSA-N 477.298 5.239 50 10 JKGE CC1(C)[C@@H](Br)C(=CBr)c2cccc3c2N1C(=O)C3=NNc1ccccc1 2297731515 AOTAILMKSUIMHL-SFHVURJKSA-N 475.184 5.141 50 10 JKGE Brc1sc([C@@H](Br)c2cnsc2Br)cc1C1CC1 2300278472 JQXFLXNDPRUPKU-VIFPVBQESA-N 458.038 6.091 50 10 JKGE CCCc1sc(Br)cc1[C@H](Br)c1cnsc1Br 2300644846 FSGFQVOGIAOBRQ-JTQLQIEISA-N 460.054 6.166 50 10 JKGE FC1(F)CCC[C@@H]2[C@@H]([C@H](Br)c3cc(Br)c(Br)s3)[C@@H]21 2309458327 FCOXZWNRENTCAA-UUOKUNOPSA-N 464.995 6.391 50 10 JKGE Cc1cc(C=C(C#N)C(=O)Nc2cccc(Cl)c2)c(C)n1-c1ccc(C(=O)O)c(Cl)c1 2313562113 FUTJUAYCZCKGAA-UHFFFAOYSA-N 454.313 5.645 50 10 JKGE CCOc1cc(C=C(C#N)C(=O)N[C@@H](C)c2ccccc2)ccc1OCc1ccc(Cl)cc1Cl 2313671248 VKUKHRCSSQNRRI-SFHVURJKSA-N 495.406 6.755 50 10 JKGE Cc1cc(Oc2nc3ccccn3c(=O)c2C=C(C#N)C(=O)Nc2ccccc2C)ccc1Cl 2314531703 DADOMQUBCRLQLT-UHFFFAOYSA-N 470.916 5.303 50 10 JKGE CCCCCCOc1ccc(C=C(C#N)C(=O)Nc2sc(C)c(C)c2C(=O)OCC)cc1OC 2314716989 FNXQOQQHDJEKMA-UHFFFAOYSA-N 484.618 6.055 50 10 JKGE COc1cc(C=C(C#N)c2ccc(Cl)cc2)ccc1OC(=O)C(C#N)=Cc1ccc(Cl)cc1 2314735260 PYQQYYPKWJPGFW-UHFFFAOYSA-N 475.331 6.579 50 10 JKGE COC(=O)c1c(NC(=O)C(C#N)=Cc2ccc(C(C)C)cc2)sc(C)c1-c1cccc(Cl)c1 2314792627 BTOQKYDJJGPHQW-UHFFFAOYSA-N 479.001 6.833 50 10 JKGE Cc1sc(Br)c([C@H](Cl)c2c(Br)c(Br)nn2C)c1C 2316732810 ZURIONCQYLZFGT-QMMMGPOBSA-N 477.447 5.714 50 10 JKGE CC[C@@]1(C)[C@@H](OCc2cc(I)ccc2Br)C[C@H]1Br 2319213258 KSJLFVLXBSNDLB-HZSPNIEDSA-N 488.001 5.522 50 10 JKGE Cc1nc(-c2ccc(Cl)cc2Cl)ccc1C(=O)NNC(=O)C=Cc1ccc(Cl)cc1Cl 2321143217 FDNRYNZCORXQDV-UHFFFAOYSA-N 495.193 6.145 50 10 JKGE CC1(C)CC[C@H](Cc2ccc(I)c(Br)c2)C[C@@H]1Br 2325189157 KIBGUNQSROZAQY-RISCZKNCSA-N 486.029 6.186 50 10 JKGE Cc1ccc(NC(=O)C(C#N)=CN2CCN(C(c3ccccc3)c3ccccc3)CC2)c(C)c1 2325351592 LLXYZJYDDJACDF-UHFFFAOYSA-N 450.586 5.057 50 10 JKGE CC(C)(C)OC(=O)NC[C@@](C)(CI)OCC1CCC(C(F)(F)F)CC1 2327995150 CEPORHKQGAUCEO-SEEARECTSA-N 479.321 5.090 50 10 JKGE COc1ccc(C=CC(O)=C(C#N)c2nc(-c3ccc(Br)cc3)cs2)c(OC)c1 2331260426 HCYXODLXDGVXJY-UHFFFAOYSA-N 469.360 6.096 50 10 JKGE N#CC(=C(O)COc1cc(Cl)ccc1Cl)c1nc(-c2cccc(Br)c2)cs1 2331278849 OEQGICUUEMLIAZ-UHFFFAOYSA-N 482.186 6.751 50 10 JKGE CCCOc1ccc(-c2csc(C(C#N)=C(O)CCc3ccc(OCC)c(OC)c3)n2)cc1 2331318653 KWMPVDMFEWCSBG-UHFFFAOYSA-N 464.587 6.432 50 10 JKGE COc1c(Cl)cc(Cl)cc1-c1csc(C(C#N)=C(O)c2cccc(Br)c2)n1 2331362806 SWPPAUICXZZTSS-UHFFFAOYSA-N 482.186 6.838 50 10 JKGE COc1c(Cl)cc(-c2csc(C(C#N)=C(O)c3ccc([N+](=O)[O-])c(C)c3)n2)cc1Cl 2331398016 UBUPNURHDKNDJS-UHFFFAOYSA-N 462.314 6.292 50 10 JKGE CCCCOc1c(Br)cc(C=C(C#N)c2nc(-c3ccccc3)cs2)cc1OC 2331439963 JXUDXVQRMSITNV-UHFFFAOYSA-N 469.404 6.824 50 10 JKGE Cn1ncc(Br)c1[C@H](Cl)c1c(F)cc(Cl)c(Br)c1Cl 2335278305 BXBRKJCRKNGSBV-SNVBAGLBSA-N 451.348 5.719 50 10 JKGE Fc1cc(Cl)c(Br)c(Cl)c1[C@H](Cl)c1scc(Br)c1Cl 2335279168 ISFRMEMVTJYRMZ-JTQLQIEISA-N 487.830 7.701 50 10 JKGE FC1(F)C2(CC2)C12CC([C@@H](Br)c1sc(Cl)cc1I)C2 2338557509 XBVSQEFQWFNIQI-ATZMEGNHSA-N 479.555 6.268 50 10 JKGE Cc1cc(Br)c(F)c(Br)c1[C@H](Br)[C@@H]1C[C@H]2CC[C@@H]1O2 2339652291 XYQVRKXNFIXOHC-CUKVJPMHSA-N 456.975 5.663 50 10 JKGE Cc1cc(Br)c(F)c(Br)c1[C@@H](Br)[C@@H]1C[C@H]2CC[C@@H]1O2 2339652294 XYQVRKXNFIXOHC-LBRZWBMMSA-N 456.975 5.663 50 10 JKGE Fc1ccc([C@@H](Br)c2ccc(Cl)cc2I)c(F)c1Cl 2340064367 FEBXGDXABYEZEB-NSHDSACASA-N 477.901 6.361 50 10 JKGE Clc1ccc(CC2(CBr)CC3(CCCO3)C2)c(I)c1 2341050083 LYDHIYGNGZKFPR-UHFFFAOYSA-N 455.561 5.211 50 10 JKGE Fc1ccc(C[C@@H](CBr)Cc2ccc(Cl)c(I)c2)cc1 2362379131 LBFIVAKOJBAAMR-CYBMUJFWSA-N 467.547 5.880 50 10 JKGE CN(Cc1c(Br)c(Br)nn1C)c1cc(Br)ccc1CCl 2364376489 LOGAXGJMCCRVKN-UHFFFAOYSA-N 486.433 5.083 50 10 JKGE Cc1cc(Br)c(F)c(Br)c1[C@H](Br)C1CC2(CC(F)C2)C1 2365198085 YGBSWCXETTUSTQ-YTGAGGBKSA-N 472.993 6.623 50 10 JKGE COc1c(Br)cc(C)c([C@@H](Br)C2CC(C(F)F)C2)c1Br 2365218897 OBBKBVGHPKNDHB-AYVLWNQUSA-N 476.981 6.256 50 10 JKGE COc1c(Br)cc(C)c([C@H](Br)[C@@H](C)[C@@H]2CCCO2)c1Br 2365233471 FULVGBWQIUQUGJ-XHVZSJERSA-N 471.027 5.780 50 10 JKGE Cc1cc(F)c(CBr)c(OCc2ccc(Cl)cc2I)c1 2365651803 BUZXRYVDHICHQN-UHFFFAOYSA-N 469.519 5.866 50 10 JKGE CCOc1cc(/C=C(/C#N)C(=O)Nc2c(C)cc(C)cc2C)ccc1OCc1ccc(Cl)cc1 33406718 RTOLGNDKABBVRP-UCQKPKSFSA-N 474.988 6.789 50 10 JKGE CC(=O)Nc1sc(/C(C#N)=C\c2cccc(Oc3ccccc3)c2)nc1-c1ccc(C)cc1 33442195 KOTOVSIDJYQRDQ-JCMHNJIXSA-N 451.551 6.933 50 10 JKGE CC(=C(\CC(=O)c1ccccc1)c1ccccc1)/C(=C(\C#N)c1ccc([N+](=O)[O-])cc1)c1ccccc1 33598029 RSHSXBIKEISXJX-DEBAKEAWSA-N 484.555 7.776 50 10 JKGE CCCCOc1ccccc1C(=O)Oc1ccc2c(c1)OC(N)=C(C#N)[C@H]2c1ccc(C)cc1 38649314 YMXBTTJBEASQDM-SANMLTNESA-N 454.526 5.611 50 10 JKGE CCCOc1ccccc1[C@@H]1C(C#N)=C(N)Oc2cc(OC(=O)c3ccc(Cl)cc3Cl)ccc21 38681458 ZPIUDZISIKPIGH-DEOSSOPVSA-N 495.362 6.220 50 10 JKGE COc1ccccc1C(=O)NNC(=O)CCCc1c(-c2ccc3ccccc3n2)[nH]c2ccccc12 39867149 IEPDGXWPGRKZJW-UHFFFAOYSA-N 478.552 5.176 50 10 JKGE COc1cc(/C=C(\C#N)c2ccc(Cl)cc2)ccc1OC(=O)COc1ccccc1C(C)(C)C 40851010 SOGHOEGYPDLYEO-RCCKNPSSSA-N 475.972 6.695 50 10 JKGE N#C/C(=C/c1cc(Br)ccc1OCc1cccc(Cl)c1)C(=O)Nc1ccc(F)cc1 59116782 GBXCPBAGBFMPNX-BOPFTXTBSA-N 485.740 6.366 50 10 JKGE Cc1ccc(NC(=O)/C(C#N)=C/c2cc(C)n(-c3ccc(I)cc3)c2C)cc1 59335020 IUNUJSQHPZLXOW-CPNJWEJPSA-N 481.337 5.553 50 10 JKGE COc1cc(/C=C(\C#N)C(=O)N2CCN(c3ccccc3)CC2)ccc1OCc1ccc(Cl)cc1 59676608 AYGGYJLYMNKFLE-HAVVHWLPSA-N 487.987 5.183 50 10 JKGE ClCCc1nc2cc(I)ccc2n1-c1cc(Cl)ccc1Cl 97353784 MFPANLZZYPPSGA-UHFFFAOYSA-N 451.522 5.718 50 10 JKGE CCc1ccc(N2C(=O)[C@H](Cc3ccccc3Cl)S/C2=C(/C#N)C(=O)NCc2ccco2)cc1 101242043 PAQQLMZBEWRAIQ-HVBJHMBASA-N 492.000 5.238 50 10 JKGE CC1=C(C#N)C(=O)N(Cc2ccc(F)cc2)C(=O)/C1=C/c1ccc(OCc2ccccc2Cl)cc1 101340643 FMBBMPDBZYJCRQ-ZVHZXABRSA-N 486.930 5.851 50 10 JKGE Clc1cc(Cl)cc([C@@H](Br)c2cc(Br)c(Br)s2)c1 128236489 NXOSOZOTOAPLKO-SNVBAGLBSA-N 479.846 7.064 50 10 JKGE Cc1cc(Br)c([C@H](Br)c2ccccc2C(F)(F)F)cc1Br 128772389 BRLQIZPYZGVFCG-CQSZACIVSA-N 486.951 7.023 50 10 JKGE FC(F)(F)c1ccc(Br)c([C@H](Br)c2sccc2Br)c1 159847728 XOJOWFXOMREPNX-JTQLQIEISA-N 478.953 6.776 50 10 JKGE CCOc1ccc(C)cc1[C@H](C)NC(=O)/C(C#N)=C\Nc1ccc(Cl)cc1C(F)(F)F 217186840 UOHWDCHZGILTEL-UZFBZYOGSA-N 451.876 5.763 50 10 JKGE 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 250520559 KUJXAJMABXMSCW-XCAHUYKXSA-N 460.775 7.170 50 10 JKGE Cc1ccc(-c2nn(-c3ccccc3)cc2C=NNC(=O)COc2cc(C(C)C)ccc2C)cc1 252601207 DXUXOGOLBRSOSZ-UHFFFAOYSA-N 466.585 5.809 50 10 JKGE CC(=NNC(=O)CSc1nnc(-c2ccc(C)cc2)n1C1CCCCC1)c1cccc([N+](=O)[O-])c1 263629707 DYXDRZNUKZQWJR-UHFFFAOYSA-N 492.605 5.299 50 10 JKGE Clc1ccccc1C(CBr)(CBr)CCCOCc1ccccc1 309833518 HJOSLCWXNFYFIP-UHFFFAOYSA-N 460.637 6.365 50 10 JKGE FC1(F)CC[C@@H](CC(CBr)(CBr)c2cccc(Br)c2)C1 312138176 XCMRXONPWYOPLW-NSHDSACASA-N 475.009 6.302 50 10 JKGE Clc1ccccc1C(CBr)(CBr)Cc1ncccc1Br 312684483 NUNKTVCHWSZPHB-UHFFFAOYSA-N 482.441 5.768 50 10 JKGE CC(C)(C)OC(=O)N1C[C@H](CBr)[C@H](c2cc(Br)ccc2Cl)C1 382701790 ZOKQFZFQEXEZTN-GXFFZTMASA-N 453.602 5.448 50 10 JKGE BrCC(CBr)(COC1CCCC1)c1ccc(Br)cc1 389095180 DPEFTXPOEUVXKO-UHFFFAOYSA-N 455.028 5.436 50 10 JKGE C[C@@H]1CN(Cc2ccccc2)C[C@H]1n1c(CCl)nc2cc(I)c(F)cc21 389790097 PBQSUDRYZSPLRK-BFUOFWGJSA-N 483.756 5.212 50 10 JKGE C[C@H](Cl)c1nc2cc(I)c(F)cc2n1C[C@@H](C)N(C)Cc1ccccc1 390587737 RINPJNXUGNONOR-KGLIPLIRSA-N 485.772 5.600 50 10 JKGE Cc1oc(Br)cc1[C@H](Br)c1cc2nc(O)[nH]c2cc1Br 396593395 MXSVHVWCKRPDIC-LBPRGKRZSA-N 464.939 5.179 50 10 JKGE CCn1cc([C@@H](Br)c2csc3c(Br)cccc23)nc1Br 698389273 GGPYMZMPKMFRSG-LBPRGKRZSA-N 479.035 6.127 50 10 JKGE Fc1cccc([C@H](Br)c2ccc(Br)cc2)c1I 721670948 AULFSBYFZNTATI-GFCCVEGCSA-N 469.917 5.677 50 10 JKGE Cc1sc([C@@H](Br)c2cccc(F)c2I)cc1Br 721674007 WEOUUTSJYWYLCD-NSHDSACASA-N 489.973 6.047 50 10 JKGE CCOc1ccc([C@@H](O)CCC(=O)NN=Cc2cn(Cc3ccccc3)c3ccccc23)cc1 1084149200 DLAXKBUUDZAXKK-MHZLTWQESA-N 455.558 5.052 50 10 JKGE COc1cc(C=NNC(=O)c2ccccc2Cl)ccc1Oc1ccc(C(F)(F)F)cc1[N+](=O)[O-] 1084306536 BPAXIGLQFGTPGY-UHFFFAOYSA-N 493.825 5.832 50 10 JKGE N#C/C(=C\c1cn(Cc2ccccc2F)c2ccccc12)C(=O)N1CCN(c2ccccc2)CC1 1084503975 QRGCDJHPOASDEL-PTGBLXJZSA-N 464.544 5.084 50 10 JKGE C=C(C)COc1ccc(C(=NNC(=O)Nc2ccc(Cl)cc2)c2ccc(Cl)cc2)cc1 1088668650 YPMGUOWDOLKVNA-UHFFFAOYSA-N 454.357 6.522 50 10 JKGE N#CSc1ccc(NC(=O)Oc2cccc3c(NC(=O)/C=C/c4ccc(F)cc4)cccc23)cc1 1858774548 MUZSDNJZTIXYOD-CXUHLZMHSA-N 483.524 6.815 50 10 JKGE CN(C)c1ccc([C@H]2C(C#N)=C(N)Oc3c2c(-c2ccccc2)nn3Cc2cccc(F)c2)cc1 1865683078 FOQUZQHXKRDJJA-DEOSSOPVSA-N 465.532 5.022 50 10 JKGE CCc1nn(Cc2c(F)cccc2Cl)c2c1[C@H](c1cccc(Br)c1)C(C#N)=C(N)O2 1865683637 GSWKUZVBLDPVFZ-LJQANCHMSA-N 487.760 5.267 50 10 JKGE N#CC1=C(N)Oc2c(c(C(F)(F)F)nn2-c2ccc(Cl)c(Cl)c2)[C@H]1c1ccc(Cl)cc1 1865684170 VJGAGEAZWNYMMO-HNNXBMFYSA-N 485.680 6.069 50 10 JKGE Cc1nn(Cc2c(F)cccc2Cl)c2c1[C@@H](c1c(Cl)cccc1Cl)C(C#N)=C(N)O2 1865684948 BGQOULKLNAYKQI-SFHVURJKSA-N 463.727 5.557 50 10 JKGE CCCCCOc1ccc([C@H]2C(C#N)=C(N)Oc3c2c(C)nn3Cc2ccc(F)cc2)cc1OC 1865695161 LNPTXKKJSHWAAM-VWLOTQADSA-N 476.552 5.175 50 10 JKGE CCCc1nn(-c2cccc(Cl)c2)c2c1[C@H](c1ccc(OC(C)C)c(OC)c1)C(C#N)=C(N)O2 1865697638 YNCHJLBFZQDJTI-HSZRJFAPSA-N 478.980 5.492 50 10 JKGE Cc1ccccc1[C@H]1C(C#N)=C(N)Oc2c1c(-c1ccccc1)nn2-c1cccc2ccccc12 1865713361 XEIKLIWRZYLENM-SANMLTNESA-N 454.533 6.219 50 10 JKGE COc1ccc(/C(C)=N\NC(=O)c2ccc(-c3ccc(Cl)cc3Cl)nc2C)c(OC)c1 1865763232 BGRNUZBCXLFBCE-VYYCAZPPSA-N 458.345 5.535 50 10 JKGE CCCC[C@@H](NC(=O)C[C@@H](c1ccc(F)c(C)c1)C(C)C)C(=O)Nc1ccc(SC#N)cc1 1866765648 JZOWJEFQQKLIEA-ISKFKSNPSA-N 469.626 6.151 50 10 JKGE N#C/C(=C(/O)CCCN1C(=O)c2cccc([N+](=O)[O-])c2C1=O)c1nc(-c2ccccc2Cl)cs1 1872746068 PSUMEXAKUPPFTP-CYVLTUHYSA-N 494.916 5.241 50 10 JKGE CC[C@H](C)N1C(=O)c2ccc(/C(O)=C(\C#N)c3nc(-c4ccc(F)c(F)c4)cs3)cc2C1=O 1872752023 ZSWVMKSESUXTBG-FRMRLDDKSA-N 465.481 5.433 50 10 JKGE COc1cc(/C=C/C(O)=C(\C#N)c2nc(-c3c(C)cc(C)cc3C)cs2)ccc1OC(C)=O 1872757205 USKOGWUGIWHZNH-YHZASVFKSA-N 460.555 6.175 50 10 JKGE CCOc1cc(/C=C(\C#N)c2nc(-c3ccc(C(C)C)cc3)cs2)ccc1OCc1ccc(C)cc1 1872791490 KQNGEFXKFKEKEK-JVWAILMASA-N 494.660 8.284 50 10 JKGE COc1ccc(C)cc1-c1csc(/C(C#N)=C/c2cccc(OC)c2OCc2cccc(C)c2)n1 1872791813 UFXYMSFCPQHUEU-HZHRSRAPSA-N 482.605 7.087 50 10 JKGE COc1ccc(-c2csc(/C(C#N)=C/c3ccc(OCc4ccc(C)cc4)c(OC)c3)n2)c(OC)c1 1872793525 DWXCBBCLUICPAQ-LPYMAVHISA-N 498.604 6.788 50 10 JKGE CC(C)(C)OC(=O)Nc1ccc2c(c1)CC[C@@H]2[C@H](CBr)NC(=O)OC(C)(C)C 1885097029 NNCKHYJOBFCZMP-IRXDYDNUSA-N 455.393 5.352 50 10 JKGE C[C@@H](CCBr)N(Cc1ccccc1)S(=O)(=O)c1ccc(Cl)c(Cl)c1 1915094212 FMCLLICVGABKCM-ZDUSSCGKSA-N 451.213 5.358 50 10 JKGE COc1cc([C@H](Br)c2sc(Br)cc2Br)ccc1C 1922945542 HLQJBJSIZVSLST-LBPRGKRZSA-N 455.009 6.074 50 10 JKGE COc1ccc([C@H](Br)c2sc(Br)cc2Br)cc1F 1922946376 QMLCNDKMEUVQAO-NSHDSACASA-N 458.972 5.905 50 10 JKGE Cl[C@H](c1c(Br)sc(Br)c1Br)[C@@H]1CCCCO1 1924579779 JXJWHTOSVVCLRQ-XNCJUZBTSA-N 453.421 5.885 50 10 JKGE COc1ccc([C@H](Cl)c2c(Br)sc(Br)c2Br)cc1 1924585993 SNEAESGVANTTSB-JTQLQIEISA-N 475.427 6.372 50 10 JKGE Cl[C@@H](c1c(Br)sc(Br)c1Br)[C@@H]1CCc2ccccc2C1 1924599018 ALLYBEOEOWZZGM-ZWNOBZJWSA-N 499.493 7.121 50 10 JKGE O=C(NC[C@H]1CCC2(CCC2)[C@@H]1Br)c1csc(Br)c1Br 1924800727 XBHGPVVWLMROOG-LDYMZIIASA-N 486.067 5.347 50 10 JKGE FC(F)(F)c1cc([C@H](Br)c2c(Cl)sc(Br)c2Cl)cs1 1925561669 QPLFCIJTTUIPES-LURJTMIESA-N 474.976 7.382 50 10 JKGE Fc1cc([C@H](Br)c2c(Cl)sc(Br)c2Cl)c(F)cc1Cl 1925587638 ACUYRCXAAGELFK-QMMMGPOBSA-N 471.375 7.233 50 10 JKGE C[C@@H]1C[C@H](C[C@H](Cl)c2c(Br)sc(Br)c2Br)CO1 1997176863 ZTBJNEUNHZAXJL-QYNIQEEDSA-N 467.448 6.131 50 10 JKGE CC(C)[C@H](CBr)N(Cc1ccccc1)Cc1ccc(Cl)c(Br)c1F 2001885136 WJERYWMQYJTGOI-KRWDZBQOSA-N 477.643 6.663 50 10 JKGE C[C@@H](C[C@H]1CCCCN1C(=O)OC(C)(C)C)NCCSSCCNC(=O)OC(C)(C)C 2010827114 MFAGPMYPSYQLES-ZWKOTPCHSA-N 477.737 5.050 50 10 JKGE CCc1cc(Br)c([C@H](Cl)Cc2ccccc2I)s1 2029231942 BDKZZHAPMCBZRZ-GFCCVEGCSA-N 455.586 6.200 50 10 JKGE Cl[C@H](c1cc(C2CC2)c(Br)s1)c1cc(Br)sc1Br 2033629939 AANGFFRXOZBMJS-JTQLQIEISA-N 491.495 7.303 50 10 JKGE COc1cc(Br)c(C)cc1[C@H](Br)c1cscc1OCc1ccccc1 2038678168 WYLIAMYAHXBDLI-FQEVSTJZSA-N 482.237 6.891 50 10 JKGE Brc1cc([C@H](Br)c2ccccc2C2CC2)c(Br)s1 2042274094 YVNUUGCBQUJCII-CYBMUJFWSA-N 451.021 6.635 50 10 JKGE C[C@@H](Br)CN(Cc1ccccc1)C(=O)c1cc(Br)cc(C(F)(F)F)c1 2052305540 WZVZDVOTRKUEGZ-GFCCVEGCSA-N 479.134 5.894 50 10 JKGE Brc1cc([C@@H](Br)c2ccc3nsnc3c2)c(Br)s1 2057042527 QJALZDUUMJAOGL-JTQLQIEISA-N 469.021 5.762 50 10 JKGE CCCN[C@@H](c1sc(Br)c(C)c1Br)C1CC(Br)C1 2076167266 KFXMWEFKXJCHGX-NWGYLPEXSA-N 460.073 5.796 50 10 JKGE Cc1ccc([C@@H](Cl)c2ccc(Br)cc2Br)cc1Br 2083330132 LGRYEMLQPADRCS-CQSZACIVSA-N 453.399 6.611 50 10 JKGE Clc1ccc(Br)cc1C[C@H](CBr)c1ccccc1Br 2110524005 NUYNSRBRXDWUMZ-LLVKDONJSA-N 467.426 6.586 50 10 JKGE Fc1ccc([C@@H](Br)CCc2cc(Cl)ccc2I)cc1 2113383825 HUCFFZVGOAIVDN-AWEZNQCLSA-N 453.520 6.153 50 10 JKGE O=C(N[C@H](CBr)c1ccsc1)c1ccc(Br)cc1Br 2119039438 MXSIQHNYXIGGTL-GFCCVEGCSA-N 468.008 5.139 50 10 JKGE CC(C)(C)[C@H]1[C@@H](Br)CCN1C(=O)c1scc(Br)c1Br 2128678542 YJEOYYDTWNVXBY-WRWORJQWSA-N 474.056 5.297 50 10 JKGE Cc1nn(C)c(Br)c1[C@H](Br)c1cc(Br)c(Cl)cc1F 2129270611 YXGDKFCUHCJWQQ-LLVKDONJSA-N 475.381 5.530 50 10 JKGE Cc1cc(Br)c(C)c([C@H](Br)[C@@H]2CCO[C@H](C)C2)c1Br 2136379660 MTTLFNBAOPDXBK-XDMRBOTDSA-N 455.028 6.080 50 10 JKGE Cc1cc(F)c(F)cc1[C@H](Cl)c1cc(I)ccc1Br 2139634904 YWCAPUBHCFYIJU-AWEZNQCLSA-N 457.483 5.969 50 10 JKGE Cc1c(Cl)cc([C@@H](Cl)c2cc(C3CC3)c(Br)s2)cc1Br 2167384476 OHQLIVLWOOJRCS-CQSZACIVSA-N 455.042 7.441 50 10 JKGE CC(C)(C)OC(=O)NC[C@H]1C[C@H]([S@@](C)(=O)=NCC2(CBr)CCCCCC2)C1 2192623432 FZXSOUWBNWMJFI-DDWQGHIRSA-N 465.498 5.123 50 10 JKGE O=C(N[C@@H](CBr)[C@H]1CC=CCC1)c1ccc(Br)cc1Br 2196154099 CNDYSOHPIKLXRE-HZMBPMFUSA-N 466.011 5.061 50 10 JKGE CC1(C)CC[C@@H](CO[C@@H](CI)c2ccccc2Br)OC1 2197344871 XEYYTXWEUOREGG-WFASDCNBSA-N 453.158 5.147 50 10 JKGE COc1cc(Cl)c([C@@H](Br)c2nn(C)c(Br)c2C)cc1Br 2202346050 PMVMHLSDYRQCEA-LLVKDONJSA-N 487.417 5.400 50 10 JKGE Cc1c(Br)csc1[C@H](Cl)c1c(Br)sc(Br)c1Cl 2213774236 MLPWFFUQFFTUHL-ZCFIWIBFSA-N 499.902 7.387 50 10 JKGE Cc1cc([C@@H](Br)Cc2ccc(Br)cc2Cl)c(Br)s1 2221695906 UCEUHRVLIPTQMP-NSHDSACASA-N 473.455 6.914 50 10 JKGE COc1ccc(C(=O)N(Cc2ccccc2)[C@H](CBr)C2CC2)c(Br)c1 2224005924 WPJQXBKGTZFVCZ-LJQANCHMSA-N 467.201 5.274 50 10 JKGE Cc1ccc(I)c([C@@H](Br)c2ccc(F)c(Br)c2)c1 2224056648 ZTMDUWPUWQZVNG-AWEZNQCLSA-N 483.944 5.986 50 10 JKGE FC1(F)C[C@]12C[C@@H]2[C@H](Br)c1c(Br)cc(Cl)c(Cl)c1Cl 2224304394 IZDXYOYYCZZLLS-OOWWRKSUSA-N 455.351 6.891 50 10 JKGE Cc1ccc([C@H](Cl)c2cc(Br)c(Cl)cc2C)cc1I 2224624357 AIUQVXLGHHEJFJ-HNNXBMFYSA-N 469.975 6.652 50 10 JKGE CCOc1ccc([C@@H](Br)c2scc(Br)c2C)c(Br)c1 2226124218 UEXZWZKFKJEVGV-CYBMUJFWSA-N 469.036 6.465 50 10 JKGE BrC[C@@H]1C[C@@H]2CCCC[C@@H]2N1c1ncc(Br)cc1Br 2231987549 FPISXUCFSUGKQX-GAFUQQFSSA-N 453.016 5.139 50 10 JKGE Clc1cc(Cl)cc(C[C@H](Br)c2c(Cl)sc(Br)c2Cl)c1 2232159898 CPMBTRXSTOSHHW-QMMMGPOBSA-N 483.867 7.803 50 10 JKGE Cc1ccc([C@H](Br)c2c(Br)cc(C)c(Br)c2C)c(F)c1 2235603047 GURITDUQAPEPTC-INIZCTEOSA-N 464.998 6.760 50 10 JKGE Cc1cc(Br)c([C@@H](Br)[C@H]2CC23CCCCC3)c(C)c1Br 2235603469 BEWIRMNEBAXCLE-WBMJQRKESA-N 465.067 7.235 50 10 JKGE COc1cc(Br)c([C@H](Br)c2nn(C)c(Cl)c2Br)cc1C 2236025217 PUPCHYOGKRLSGW-JTQLQIEISA-N 487.417 5.400 50 10 JKGE Cc1cc([C@H](Br)c2cc3sc(Br)cc3s2)sc1Br 2263617704 IOBZGXWUXPCNHN-NSHDSACASA-N 487.101 7.342 50 10 JKGE COC[C@@]1(C)C[C@@H]1COc1c(Br)cc(Br)cc1CBr 2269280125 MKVASZPYNOIXKZ-QMTHXVAHSA-N 457.000 5.158 50 10 JKGE C[C@@H]1COCC[C@@H]1[C@H](Br)c1c(F)cc(Br)c(F)c1Br 2272741408 UYDBYCDQENZFNP-BUYFANAVSA-N 462.954 5.598 50 10 JKGE CCOc1ccc([C@@H](Br)Cc2cc(Br)cc(Br)c2)s1 2277892483 SOGPJXSQUGSDFP-LBPRGKRZSA-N 469.036 6.351 50 10 JKGE COc1ccc([C@H](Br)C(C(F)(F)F)C(F)(F)F)cc1I 2284996785 CHPCUYHXYFOXLD-QMMMGPOBSA-N 476.980 5.477 50 10 JKGE COc1cc(C)c(Br)c(C)c1[C@H](Br)c1cnn(C)c1Br 2285074329 IACIACCQDDSWHZ-CYBMUJFWSA-N 466.999 5.055 50 10 JKGE CCc1cccc(C)c1NC(SCc1ccc(C)cc1)=C(C#N)S(=O)(=O)c1ccccc1 2297350135 YNDIHFAMSHGIQX-UHFFFAOYSA-N 462.640 6.378 50 10 JKGE Brc1ccc(OCc2ccccc2)c([C@H](Br)C[C@@]23CCC[C@@H]2C3)c1 2299490371 YBBZUVZONTZUKG-BSIFCXSSSA-N 450.214 7.044 50 10 JKGE Brc1cc(OCc2ccccc2)ccc1[C@@H](Br)[C@]12C[C@H](CCO1)C2 2299532815 KWWIJXLYXVURLD-YSGRDPCXSA-N 452.186 6.033 50 10 JKGE Clc1cc(I)c([C@H](Cl)c2ccc(Cl)c(Br)c2)s1 2300955196 IJLZTICCZKFKQX-SNVBAGLBSA-N 482.395 6.750 50 10 JKGE CCc1ccccc1[C@H](Br)c1ccc(OCc2ccccc2)cc1Br 2314441539 ZOKNAQAJKHDRML-QFIPXVFZSA-N 460.209 7.075 50 10 JKGE C[C@H](c1ccccc1)[C@@H](Br)c1cc(Br)ccc1OCc1ccccc1 2314444808 MYMYNNWDBNJOCL-OPAMFIHVSA-N 460.209 7.268 50 10 JKGE C[C@@H]1CCC[C@H]([C@H](Br)c2cc(Br)ccc2OCc2ccccc2)CC1 2314455010 KXROTXYDKXYWKP-NRJQMVOHSA-N 466.257 7.681 50 10 JKGE Cc1ccc(N2C(=O)[C@@H](Cc3ccc(F)cc3)SC2=C(C#N)C(=O)Nc2ccccc2C)cc1C 2314592075 LLCPKVOOMQKWID-RUZDIDTESA-N 485.584 5.816 50 10 JKGE CCOc1ccc(C=C(C#N)C(=O)Nc2scc(-c3ccc(CC)cc3)c2C(=O)OC)cc1 2314761057 ONZZMCPIRQLLQP-UHFFFAOYSA-N 460.555 5.708 50 10 JKGE CCc1sc(NC(=O)C(C#N)=Cc2ccc(OC)cc2)nc1-c1ccc(Br)cc1 2314792737 DNUYPEGMPQWYRK-UHFFFAOYSA-N 468.376 5.689 50 10 JKGE Fc1c(Br)cc(Cl)c([C@@H](Cl)c2ccc(Br)o2)c1Br 2315439449 FLQDVHMPXKUERG-JTQLQIEISA-N 481.768 6.688 50 10 JKGE C[C@@H]1[C@@H]([C@H](Br)c2c(Cl)cc(Br)c(F)c2Br)C1(F)F 2315442741 YJXQFMQVNMUJKX-IHITVNRWSA-N 471.336 6.341 50 10 JKGE CCOc1ccc(C=CC(=O)Oc2cccc(C=C(C#N)c3cccc(Cl)c3)c2)cc1OC 2318356328 RRGBFAJGWANAJH-UHFFFAOYSA-N 459.929 6.430 50 10 JKGE CCOc1c(Br)cc(C=C(C#N)c2nc(-c3ccc(C)cc3C)cs2)cc1OC 2331443448 RAZUPUCQAFIIDX-UHFFFAOYSA-N 469.404 6.661 50 10 JKGE CC(C)c1ccc(-c2csc(C(C#N)=Cc3ccc(OC(=O)c4ccccc4)cc3)n2)cc1 2331457925 YUYNYLUQWNMHSB-UHFFFAOYSA-N 450.563 7.217 50 10 JKGE CCOc1cc(C=C(C#N)c2nc(-c3ccc(OC)cc3OC)cs2)ccc1OCc1ccccc1 2331473434 WGDPPTADOLLUMG-UHFFFAOYSA-N 498.604 6.869 50 10 JKGE CCCCCOc1ccc(C=C(C#N)c2nc(-c3cc(Cl)cc(C)c3OC)cs2)cc1 2331474480 LECDUFJVXXMVGU-UHFFFAOYSA-N 453.007 7.414 50 10 JKGE Cc1cc(C)c(-c2csc(C(C#N)=Cc3ccc(OCc4ccccc4C)cc3)n2)c(C)c1 2331478369 CJNYDANVQBCXLB-UHFFFAOYSA-N 450.607 7.687 50 10 JKGE FC1(F)C[C@]12CC[C@@H]([C@H](Br)c1cc(Br)ccc1OCc1ccccc1)C2 2336053929 NJUDGZUWQTURSA-UIAACRFSSA-N 486.194 7.290 50 10 JKGE CC12CCC([C@H](Br)c3ccc(OCc4ccccc4)cc3Br)(CC1)CO2 2336084624 VQFWZVWEPZEXFT-ITAUSPCMSA-N 480.240 6.813 50 10 JKGE Cc1c(Br)ccc([C@H](Br)[C@@H]2COC3(C)CC2C3)c1Br 2337686926 VKLTWZSDEFCVOH-SGUDMPQGSA-N 453.012 5.771 50 10 JKGE COc1c(Br)cc(C)c([C@H](Br)[C@@H]2CC[C@H]3C[C@H]32)c1Br 2339675386 QRUSMTJMMYECHQ-DCJFZGGZSA-N 453.012 6.011 50 10 JKGE COc1c(Br)cc(C)c([C@H](Br)[C@@]23COC[C@H]2C3)c1Br 2339692203 VSBBJFJGXXODIF-ULOPGQLASA-N 454.984 5.001 50 10 JKGE C[C@H]1CCC[C@@](CBr)(OCc2ccc(Cl)cc2I)C1 2340110176 MSNRKHJRYGMPMM-XHDPSFHLSA-N 457.577 5.805 50 10 JKGE Cl[C@H]1CCC[C@@]12CCN(Cc1ccc(I)c(Br)c1)C2 2349861418 XILUKRLAISSTCC-GJZGRUSLSA-N 454.577 5.037 50 10 JKGE Cc1cc(Br)c([C@@H](Br)[C@@H]2C[C@H]2C2CCOCC2)cc1Br 2357685088 RSEJTPAHSBYBHG-OZVIIMIRSA-N 467.039 6.019 50 10 JKGE Cc1nn(C)c2sc([C@@H](Cl)c3ccc(OCc4ccccc4)cc3Br)cc12 2361170295 CGXCXWXSRQXKSM-FQEVSTJZSA-N 461.812 6.613 50 10 JKGE Brc1ccc(OCc2ccccc2)c([C@H](Br)[C@H]2C[C@@H]3CCCCCC[C@@H]32)c1 2361201400 SCVTUIWFXNRBJZ-SODVOOIJSA-N 492.295 8.071 50 10 JKGE Clc1ccc(CC2(CBr)CC3(CCCCC3)C2)cc1I 2362378148 GPBRHVLHIUKOKL-UHFFFAOYSA-N 467.616 6.613 50 10 JKGE FC1(F)[C@H]2CCC[C@@H]1C[C@@H]([C@@H](Cl)c1sc(Cl)cc1I)C2 2364120725 ZKNSXMRNLOXDPV-KZFFXBSXSA-N 451.147 6.748 50 10 JKGE O=C(N[C@H](CCCl)COCc1ccccc1)c1cc(C(F)(F)F)ccc1Br 2369688428 ZBMJIZLJVURAOO-OAHLLOKOSA-N 464.709 5.412 50 10 JKGE CCCCO[C@@H]1[C@H](Br)C[C@H]1OCc1cc(I)ccc1Cl 2380342705 KSZLHXXIBVGWAO-BPLDGKMQSA-N 473.576 5.182 50 10 JKGE Cc1cc(Br)c(C(C)C)cc1[C@H](Br)c1csc(C)c1Br 2380939637 MUVIFVGOKKPIFC-INIZCTEOSA-N 481.091 7.498 50 10 JKGE Cc1ccc(C[C@@H]2S/C(=C(\C#N)C(=O)Nc3ccc(Cl)cc3)N(c3ccc(F)cc3)C2=O)cc1 1790107 PYDANSOGYKCDRV-GPSDDGMOSA-N 491.975 5.853 50 10 JKGE COc1ccc(/C(C#N)=C\c2ccc(OC(=O)[C@@H](C)Oc3ccc(Cl)cc3Cl)c(OC)c2)cc1 31902301 LZHMERRMZARPSP-BKAYVGFPSA-N 498.362 6.448 50 10 JKGE COc1ccc(/C=C(/C#N)C(=O)Nc2ccc(Cl)cc2)cc1Oc1nc(Cl)ncc1F 33691715 KYTIBDVTSPVIHJ-JYRVWZFOSA-N 459.264 5.269 50 10 JKGE CC1=C(C#N)C(=O)N(C2CCCCC2)C(=O)/C1=C/c1cn(-c2ccccc2)nc1-c1ccc(C)c(F)c1 38608039 QEPJZCYLMUEZEL-MFKUBSTISA-N 494.570 5.912 50 10 JKGE CCCCOc1cccc(C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@@H]3c2ccccc2OCCC)c1 38681740 SWVPUUNOUQPYLO-MUUNZHRXSA-N 498.579 6.092 50 10 JKGE Cc1cc(C)c(C)c(OCC(=O)N/N=C/c2cc(Br)ccc2OCc2ccccc2)c1 40889012 QZXLYQJNFTUDGI-MZJWZYIUSA-N 481.390 5.482 50 10 JKGE O=C(COc1ccc(Br)cc1)N/N=C/c1ccc(OCc2ccccc2Cl)cc1 40910617 GVIUKBSZYPZXFU-DHRITJCHSA-N 473.754 5.211 50 10 JKGE CCOc1cc(/C=C(\C#N)C(=O)NCc2ccco2)ccc1OC(=O)CSc1ccc(Cl)cc1 40946995 DRBNDFLKMFMSSP-LDADJPATSA-N 496.972 5.253 50 10 JKGE O=C(CC[C@@H](O)c1ccccc1)N/N=C\c1cn(Cc2cccc3ccccc23)c2ccccc12 58891305 LYDIVUUWOFCFEB-FGZKMHPOSA-N 461.565 5.807 50 10 JKGE CCOc1cc(/C=C(/C#N)C(=O)Nc2ccc(Cl)cc2)ccc1OC(=O)c1ccc(OC)cc1 59116969 ZUNRKLUGUODUTK-RGEXLXHISA-N 476.916 5.512 50 10 JKGE N#C/C(=C/c1cccc(OC(=O)c2ccc(Cl)cc2)c1)C(=O)Nc1cccc(Cl)c1Cl 59117330 XPRQSDQLRXENBG-WJDWOHSUSA-N 471.727 6.412 50 10 JKGE Cc1ccc(C(=O)O)cc1-c1ccc(/C=N/NC(=O)c2cc3cc(Br)ccc3o2)o1 59304439 HIAIRKPSDRIWDW-BHGWPJFGSA-N 467.275 5.226 50 10 JKGE Cc1ccc(NC(=O)/C(C#N)=C\c2cc(Br)ccc2OCc2ccc(Cl)cc2)cc1 59335786 DRIOQINAIZCPPR-UNOMPAQXSA-N 481.777 6.536 50 10 JKGE O=C(N/N=C/c1c(Oc2ccc(C(F)(F)F)cc2[N+](=O)[O-])ccc2ccccc12)c1ccncc1 59463018 GHNIKHBWTBFHMP-IPPBACCNSA-N 480.402 5.718 50 10 JKGE C[C@@H]1COc2ccc([C@@H](Br)c3ccccc3I)cc2OC1 70511242 NQHHYFWWUHBDSM-PIGZYNQJSA-N 459.121 5.183 50 10 JKGE Brc1ccc([C@@H](Br)c2cc(Br)sc2Br)s1 71101413 ORANEYPUYODFLO-QMMMGPOBSA-N 495.881 6.581 50 10 JKGE COc1ccc(/C=C(/C#N)C(=O)Nc2ccc(C)c(C)c2)cc1OC(=O)c1cccc2ccccc12 96401922 YYFHDWFRABEMPS-KQWNVCNZSA-N 476.532 6.230 50 10 JKGE ClCc1nc2cc(I)ccc2n1Cc1cccc(Br)c1 97354264 VJBILSSGZLAEJX-UHFFFAOYSA-N 461.528 5.191 50 10 JKGE 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 100152138 FPFAZZFTBDKRJL-YUMBRMMWSA-N 496.688 6.212 50 10 JKGE BrCc1c(OCc2ccc(I)cc2)ccc2ccccc12 115901838 JXZSUOYBIYMFNE-UHFFFAOYSA-N 453.117 5.918 50 10 JKGE CCCCCCCCCC(CBr)(CBr)c1ccc(Br)cc1 118878562 JPCGNAAXIJLDHC-UHFFFAOYSA-N 483.126 7.617 50 10 JKGE COc1cc(Br)ccc1[C@@H](Cl)c1cc(Br)c(Br)s1 135309511 IARUNTPDFXUGRM-LLVKDONJSA-N 475.427 6.372 50 10 JKGE COc1cc(F)c([C@@H](Br)c2cc(Br)ccc2Br)c(F)c1 161075104 WPGCQGHSVFPLDY-AWEZNQCLSA-N 470.933 5.983 50 10 JKGE COc1cc(/C=C(/C#N)c2ccccc2)ccc1OC(=O)COc1ccc2c(C)cc(=O)oc2c1 165863455 MCLLKPMHGIWBAC-BKUYFWCQSA-N 467.477 5.159 50 10 JKGE CCOc1ccc([C@@H](Cl)c2cc(I)ccc2Br)cc1 233797318 GXQRZMXKGYQDSA-OAHLLOKOSA-N 451.529 5.781 50 10 JKGE CCOc1ccc([C@@H](Br)c2cccc(Br)c2F)cc1Br 233820034 IFQRAEDYIOBAJM-CQSZACIVSA-N 466.970 6.234 50 10 JKGE Cc1sc([C@H](Br)c2ccc(F)cc2I)cc1Br 235974323 ZNMGEOZNHJCPJM-GFCCVEGCSA-N 489.973 6.047 50 10 JKGE Fc1c(Br)cccc1[C@H](Cl)c1cc(Br)sc1Br 236129230 DCDJXELZAHSUBL-VIFPVBQESA-N 463.391 6.503 50 10 JKGE Fc1cccc(Cl)c1C[C@H](Br)c1cc(Br)cc(Br)c1 236143813 XTJZYNDRUWLXQN-LBPRGKRZSA-N 471.389 6.683 50 10 JKGE Fc1ccc([C@@H](Cl)c2ccc(Br)cc2Br)cc1Br 236214977 JHWTZWKYUJIDRF-CYBMUJFWSA-N 457.362 6.441 50 10 JKGE Cc1ccc(OCC(=O)NN=Cc2ccc(-c3ccc(C)c(Cl)c3)o2)c(Br)c1 252606874 GWTQREZYSQEHMG-UHFFFAOYSA-N 461.743 5.508 50 10 JKGE Cc1ccc2nc(C)c(C(=O)NN=Cc3cc(C)n(-c4cc(Cl)cc(Cl)c4)c3C)n2c1 252622929 OGDBVXVSVCXWNF-UHFFFAOYSA-N 454.361 5.429 50 10 JKGE CC(C)c1ccc(OCC(=O)NN=Cc2c(OC(=O)c3ccccc3)ccc3ccccc23)cc1 254376419 WHLQTVNTZPRQQG-UHFFFAOYSA-N 466.537 5.712 50 10 JKGE CC(=NNC(=O)c1ccc(COc2ccccc2-c2ccccc2)cc1)c1cccc([N+](=O)[O-])c1 254759075 RFXGSTQTSWSROU-UHFFFAOYSA-N 465.509 5.995 50 10 JKGE Cc1cc(C)c([C@@H](Cl)c2ccc(I)c(Cl)c2)c(C)c1Br 312389732 KUCFKGVGQSUHAP-INIZCTEOSA-N 484.002 6.961 50 10 JKGE C[C@H](Cl)c1nc2cc(F)c(Br)cc2n1CC[C@H](C)N(C)Cc1ccccc1 379605441 IPLZICITERYMSC-GJZGRUSLSA-N 452.799 6.148 50 10 JKGE C[C@@H](Cl)c1nc2cc(F)c(Br)cc2n1C1CCN(Cc2ccccc2)CC1 379627106 DGTYFZCEDRLUMZ-CQSZACIVSA-N 450.783 6.075 50 10 JKGE O=C(OCc1ccccc1)N1C[C@@H](CI)[C@H](c2ccc(Cl)cc2F)C1 382681708 AWKBLNCLHVEKFH-RHSMWYFYSA-N 473.713 5.266 50 10 JKGE C[C@H]1CN(c2ccc(CBr)c(Br)c2)[C@H](C)[C@@H](C)N1Cc1ccccc1 404263269 FPPWKOUFERGMOF-GVDBMIGSSA-N 466.261 5.832 50 10 JKGE Clc1ccc([C@@H](CBr)Cc2cc(Cl)ccc2I)cc1 405501596 CDGUYYZJVDXYEB-GFCCVEGCSA-N 469.975 6.319 50 10 JKGE Fc1ccc([C@@H](Br)c2ccc(F)c(Br)c2F)c(Br)c1 691637422 VOFDSTYBQOJHJO-LLVKDONJSA-N 458.897 6.113 50 10 JKGE COc1c(C)cc(Br)c(C)c1[C@H](Br)c1c(Br)cnn1C 693082996 DYQBZZSHFWZJOF-LBPRGKRZSA-N 466.999 5.055 50 10 JKGE BrCC(CBr)(Cc1sccc1Br)C1CCOCC1 696854910 VLTQZVQTDQIHRA-UHFFFAOYSA-N 461.057 5.256 50 10 JKGE Brc1cc([C@@H](Br)c2ccc3c(c2)CCO3)ccc1I 721602571 KFSPTOKQOUYVHZ-HNNXBMFYSA-N 493.964 5.473 50 10 JKGE Cc1ccc([C@@H](Br)c2cccc(F)c2I)c(C)c1Br 721717920 FELGKNALJRCZAZ-CQSZACIVSA-N 497.971 6.294 50 10 JKGE O=C(N[C@@H](CCBr)C1CCCCC1)c1scc(Br)c1Br 725033550 VUQSHAOWSXWSRZ-NSHDSACASA-N 488.083 5.737 50 10 JKGE COc1cc(C=NNC(=O)[C@@H]2[C@H]3CCCC[C@]32C)ccc1OCc1ccc(Cl)cc1Cl 1084089211 FCIIGKDETAEHNI-RVSNTGDXSA-N 461.389 5.857 50 10 JKGE CCC(=NNC(=O)c1ccc(CSc2ccc(Cl)cc2)cc1)c1ccc2c(c1)OCCO2 1084448511 DLSVIINORDEURN-UHFFFAOYSA-N 466.990 5.948 50 10 JKGE C=CCc1cc(/C=C(\C#N)C(=O)Nc2cccc(Cl)c2Cl)cc(OCC)c1OCC(=O)O 1084607021 XGEAPKRNLGYYAE-MHWRWJLKSA-N 475.328 5.130 50 10 JKGE Cc1ccc(Sc2nc3ccccc3cc2C=NNC(=O)c2cc(Br)ccc2O)cc1 1565517837 PUGYPDKTJMTKGU-UHFFFAOYSA-N 492.398 5.926 50 10 JKGE CCc1ccc(OCCCC(=O)NN=Cc2ccc(OC)c(Br)c2)c(Br)c1 1772755893 UFPYTQZBMMLBBJ-UHFFFAOYSA-N 498.215 5.092 50 10 JKGE O=C(Cc1ccc(Br)s1)NNC(=O)c1ccc(-c2ccc3ccccc3c2)s1 1860391377 CUCRQOXDEUPHKG-UHFFFAOYSA-N 471.401 5.396 50 10 JKGE CCOc1cc([C@H]2C(C#N)=C(N)Oc3c2c(-c2ccccc2)nn3-c2ccc(Cl)cc2)ccc1O 1865681347 KXDPQKJYARKSQS-QHCPKHFHSA-N 484.943 5.515 50 10 JKGE N#CC1=C(N)Oc2c(c(C(F)(F)F)nn2-c2ccc(Cl)cc2)[C@@H]1c1cccc(Cl)c1 1865683369 KDBZFVWGIXOCJL-OAHLLOKOSA-N 451.235 5.416 50 10 JKGE CCCc1nn(-c2ccc(Cl)c(Cl)c2)c2c1[C@@H](c1ccc(Cl)cc1Cl)C(C#N)=C(N)O2 1865685296 GQLIYQOBEKLTEJ-IBGZPJMESA-N 494.209 6.657 50 10 JKGE COc1ccc2ccccc2c1[C@@H]1C(C#N)=C(N)Oc2c1c(C)nn2Cc1c(F)cccc1Cl 1865688285 ONAVNXLZXTUSCC-XMMPIXPASA-N 474.923 5.412 50 10 JKGE CCCOc1ccc([C@@H]2C(C#N)=C(N)Oc3c2c(C)nn3-c2cccc3ccccc23)cc1OCC 1865688618 WWDAKMXBPHIWDY-HHHXNRCGSA-N 480.568 5.740 50 10 JKGE COc1ccc(-n2nc(-c3ccccc3)c3c2OC(N)=C(C#N)[C@@H]3c2ccc(F)cc2F)cc1 1865701867 HAMDDWMYQVGFCX-QFIPXVFZSA-N 456.452 5.044 50 10 JKGE Cc1nn(Cc2ccccc2)c2c1[C@@H](c1c(OCc3ccccc3)ccc3ccccc13)C(C#N)=C(N)O2 1865703892 IBKUJYIOJVHDEV-PMERELPUSA-N 498.586 6.190 50 10 JKGE CCc1ccc([C@H]2C(C#N)=C(N)Oc3c2c(-c2ccc(OC)cc2)nn3Cc2ccc(F)cc2)cc1 1865709633 YTBAQMWMDJRPDT-VWLOTQADSA-N 480.543 5.527 50 10 JKGE COc1cccc([C@@H]2C(C#N)=C(N)Oc3c2c(-c2ccccc2)nn3Cc2cc(C)ccc2C)c1 1865712434 YEVJHFOZPJNBQL-RUZDIDTESA-N 462.553 5.442 50 10 JKGE Cc1nc(-c2ccc(Cl)cc2)ccc1C(=O)NNC(=O)[C@H](Cc1ccccc1)c1ccccc1 1865755862 URCPTYPYUPOWOT-RUZDIDTESA-N 469.972 5.498 50 10 JKGE N#CSc1ccc(NC(=O)[C@@H](NC(=O)[C@H](Cc2ccncc2)c2ccccc2)c2ccccc2)cc1 1866704051 XAXPYRKAARXSBA-SXOMAYOGSA-N 492.604 5.477 50 10 JKGE CC[C@@](C)(NC(=O)[C@H](c1ccc(Cl)cc1)C1CCCC1)C(=O)Nc1ccc(SC#N)cc1 1867008098 RNOPTOMTAMWZDU-WIOPSUGQSA-N 470.038 6.111 50 10 JKGE Cc1nc(C2CCN(c3cc(Nc4ccc(SC#N)cc4)nc(-c4cccnc4)n3)CC2)sc1C 1868564447 AHXWVUZXNMXZNX-UHFFFAOYSA-N 499.669 6.313 50 10 JKGE CCc1cccc(CC)c1N1C[C@@H](/C(O)=C(\C#N)c2nc(-c3cccc(OC)c3)cs2)CC1=O 1872744216 JBAMOAQGLPSWPE-QXUWJFDOSA-N 473.598 5.789 50 10 JKGE CCc1ccc(-c2csc(/C(C#N)=C(\O)CNC(=O)c3ccc(Cl)cc3Cl)n2)cc1 1872744522 WMAVQKMXZWFTHI-JZJYNLBNSA-N 458.370 5.902 50 10 JKGE N#C/C(=C(/O)c1cc2ccccc2oc1=O)c1nc(-c2ccc(Br)cc2)cs1 1872746291 BEWOEJQBGKULJI-MNDPQUGUSA-N 451.301 5.629 50 10 JKGE CCOC(=O)c1ccc(N2C[C@@H](/C(O)=C(\C#N)c3nc(-c4cccc(Cl)c4)cs3)CC2=O)cc1 1872748494 ZUYCNPFUEIUOES-DVCONVQISA-N 493.972 5.486 50 10 JKGE Cc1ccc(C)c(-c2csc(/C(C#N)=C(\O)c3ccc4c(c3)C(=O)N(C(C)(C)C)C4=O)n2)c1 1872749689 CQZOBHOFZPZQIQ-XDOYNYLZSA-N 457.555 5.771 50 10 JKGE COc1ccc(C(C)(C)C)cc1-c1csc(/C(C#N)=C(\O)c2ccc(NS(C)(=O)=O)cc2)n1 1872751636 QNIXWTYTKZAILN-QOCHGBHMSA-N 483.615 5.438 50 10 JKGE CCOc1cc(/C(O)=C(\C#N)c2nc(-c3cc(C)cc(C)c3OC)cs2)cc(OCC)c1OCC 1872754885 NHVRPHFYKUKCBO-GFMRDNFCSA-N 494.613 6.582 50 10 JKGE COc1c(C)cc(Cl)cc1-c1csc(/C(C#N)=C(\O)c2ccc(Cl)c(Cl)c2)n1 1872757137 RVOKRZCESRYRLH-JXAWBTAJSA-N 451.762 7.037 50 10 JKGE CCCCCOc1ccc(/C=C(\C#N)c2nc(-c3cc(C(C)(C)C)ccc3C)cs2)cc1OC 1872794057 IEQAWRZVBCJIRI-PXLXIMEGSA-N 474.670 8.058 50 10 JKGE CCc1cccc(C)c1N1C[C@H](/C(O)=C(\C#N)c2nc(-c3ccc(F)cc3F)cs2)CC1=O 1872817875 BCAZIXMWOIREMY-PWEHGMCJSA-N 465.525 5.805 50 10 JKGE C[C@](F)(CO[C@H](CI)c1cccc(Br)c1)C(F)(F)F 1876650249 CRZNLWYUKNUFQM-MNOVXSKESA-N 455.027 5.232 50 10 JKGE Fc1cc(C[C@H](Br)c2ccc(Br)cc2)c(F)cc1Br 1894894017 BDSCKZIEGORSDA-NSHDSACASA-N 454.934 6.169 50 10 JKGE C[C@@H](Br)CN(Cc1ccccc1)C(=O)c1ccc(Br)cc1C(F)(F)F 1914632564 JPILCNRBVKKGCO-GFCCVEGCSA-N 479.134 5.894 50 10 JKGE COc1cccc(C[C@@H](Br)c2c(Br)sc(Br)c2Cl)c1 1923067314 AYHPPJYMDGDZIA-SECBINFHSA-N 489.454 6.614 50 10 JKGE Cc1cccc(C)c1[C@@H](Cl)c1c(Br)sc(Br)c1Br 1924585314 KHRHJCCHLUEVBJ-LLVKDONJSA-N 473.455 6.981 50 10 JKGE C[C@]1([C@@H](Br)c2c(Br)sc(Br)c2Br)C[C@@H]1F 1924605361 PXYZLPHTXFVMQA-PVBTVSRDSA-N 485.836 6.220 50 10 JKGE CCN(C[C@@](C)(CI)O[C@H]1CC[C@@H]2CC[C@H]1C2)C(=O)OC(C)(C)C 1947119613 BZYOLKSGHLLMDH-IUVQAAGXSA-N 451.389 5.032 50 10 JKGE CC(C)(CBr)N(Cc1ccccc1)C(=O)c1cc(Br)c(Cl)s1 1961675399 BTPYBKVBCCAZFA-UHFFFAOYSA-N 465.638 5.980 50 10 JKGE Cl[C@H](c1c(Br)sc(Br)c1Br)C1CC2(COC2)C1 2007605470 PDCAPEIDSUYIHN-QMMMGPOBSA-N 465.432 5.742 50 10 JKGE Brc1cc2c(c([C@@H](Br)c3cc(Br)sn3)c1)OCC2 2056496050 LASPPVGRYAZOGR-LLVKDONJSA-N 453.981 5.087 50 10 JKGE Cl[C@H](c1c(Br)sc(Br)c1Br)C1CC2(C1)CC21CC1 2064002571 NXMVAAXUIDGUSG-UNWJSIQESA-N 475.471 6.896 50 10 JKGE Fc1cc(Br)c([C@@H](Cl)c2cc(I)sn2)c(F)c1Cl 2081839447 VYGBKQCBUGTELO-VIFPVBQESA-N 484.918 5.770 50 10 JKGE Cc1c(F)ccc([C@@H](Br)c2scc(Br)c2Br)c1C 2083357191 BKXOXNGVBNYWBW-LLVKDONJSA-N 457.000 6.513 50 10 JKGE Fc1cc(Br)cc(CBr)c1OCc1cc(Br)sn1 2084093239 TWUQKCFJFDQDFC-UHFFFAOYSA-N 459.960 5.281 50 10 JKGE CC1(C)CC[C@@H](CBr)N1C(=O)c1cc(Br)sc1Br 2084951546 NQHRJCOMZPTJSB-ZETCQYMHSA-N 460.029 5.051 50 10 JKGE COc1c(C)cc(Br)cc1[C@H](Br)c1csc(Br)c1 2085641401 CXEIDHQEHFDVDG-GFCCVEGCSA-N 455.009 6.074 50 10 JKGE COc1c(C)cc([C@@H](Br)c2csc(Br)c2Br)cc1C 2093941931 GJUSMWYDXYGQRY-LLVKDONJSA-N 469.036 6.383 50 10 JKGE O=C(c1csc(Br)c1Br)N1CC[C@@H]2C[C@H](Br)CC[C@H]21 2093947110 PDBCOHOVRQJCBW-NQMVMOMDSA-N 472.040 5.051 50 10 JKGE O=C1Cc2cc([C@@H](Br)c3csc(Br)c3Br)ccc2N1 2093947916 LNXDTLDBIFLGGG-LLVKDONJSA-N 465.992 5.252 50 10 JKGE Cc1cccc([C@@H](Br)c2cc(C3CC3)c(Br)s2)c1Br 2094672898 DZVXIPPQMYYXBC-CQSZACIVSA-N 465.048 6.943 50 10 JKGE Clc1ccc([C@@H](Br)c2cc(C3CC3)c(Br)s2)cc1Br 2094674206 SJPVQRNSAAMIPI-CYBMUJFWSA-N 485.466 7.288 50 10 JKGE Brc1ccc(CN2C[C@H](Br)CC3(CCC3)C2)c(Br)c1 2094996655 HVDZOLPRWSBFMF-CYBMUJFWSA-N 452.028 5.351 50 10 JKGE Clc1ccc(Br)cc1COc1cc(Br)ccc1CBr 2110523796 LOSRUNIXUAQBIZ-UHFFFAOYSA-N 469.398 6.339 50 10 JKGE CC1(C)COc2c([C@H](Br)C3(Br)CCC3)cc(Br)cc21 2111899704 BCCKGKXJBIFJMC-ZDUSSCGKSA-N 453.012 5.873 50 10 JKGE Fc1ccc([C@H](Br)Cc2cccc(Cl)c2F)c(I)c1 2113464462 WMHGNSSYYCIOMS-LLVKDONJSA-N 457.483 5.902 50 10 JKGE Brc1ccc(Br)c([C@@H](Br)[C@H]2CCCCC23CCC3)c1 2116988462 AOWGWMZMOKIUNJ-UKRRQHHQSA-N 451.040 7.008 50 10 JKGE FC1(F)C2(CCC2)[C@]1(CBr)Cc1cc(Br)ccc1Br 2118532192 NDMWRAYSZFJDQE-CYBMUJFWSA-N 458.966 5.955 50 10 JKGE Cc1cc(Br)c([C@H](Br)C2(CC3CC3)CCC2)cc1Br 2133318650 HTINCRDDRXZWCL-HNNXBMFYSA-N 451.040 6.926 50 10 JKGE Cc1cc(Br)c(C)c([C@@H](Br)c2ccccc2F)c1Br 2136378891 GRBWXVVLAQPEAT-HNNXBMFYSA-N 450.971 6.452 50 10 JKGE CCC1([C@@H](Br)c2c(C)c(Br)cc(C)c2Br)CCCC1 2136379955 PRQPIZCGWSAKBS-HNNXBMFYSA-N 453.056 7.235 50 10 JKGE Brc1ccc([C@@H](Br)[C@@H]2CCCCC23CCC3)c(Br)c1 2138873866 ZXUTUIMKSCUMBY-DZGCQCFKSA-N 451.040 7.008 50 10 JKGE COC[C@]12C[C@]([C@H](Cl)c3c(Br)sc(Br)c3Br)(CO1)C2 2141164583 MRYSRGYRZZFJCN-GGZOMVNGSA-N 495.458 5.511 50 10 JKGE Cl[C@@H](c1cc2c(cc1Br)OCCCO2)c1cscc1OCc1ccccc1 2156307093 SYFAHVZTOLLFTP-NRFANRHFSA-N 465.796 6.579 50 10 JKGE CCCC(CBr)(CCC)CN1CCCN(C(=O)OC(C)(C)C)CC(F)(F)C1 2163063039 ODYOGTLCGKZQBG-UHFFFAOYSA-N 455.428 5.546 50 10 JKGE O=C(c1cc(Br)sc1Br)N1CCC[C@@]2(CBr)CCC[C@H]12 2165286360 OVKKLVMZXVAOHW-IINYFYTJSA-N 486.067 5.443 50 10 JKGE Fc1ccc(I)cc1[C@H](Cl)c1cc(Cl)c(Cl)c(Cl)c1Cl 2169660360 BNEOLNVKWGDGSI-JTQLQIEISA-N 484.350 7.372 50 10 JKGE COc1ccc(Oc2cc(C)cc(Br)c2CBr)c(Br)c1 2173448727 DIEMBDPDXWAAEI-UHFFFAOYSA-N 464.979 6.216 50 10 JKGE O=S(=O)(c1c(CBr)sc2ccccc12)N(Cc1ccccc1)CC1CCC1 2179826908 YRZWOGSDUZQNBO-UHFFFAOYSA-N 464.450 5.787 50 10 JKGE O=S(=O)(c1cc(CBr)n(C2CC2)c1)N(Cc1ccccc1)C1CCCCC1 2179858300 MOYKDZFDEDHDLP-UHFFFAOYSA-N 451.430 5.242 50 10 JKGE COC[C@@H]1CC[C@@H](COc2c(Br)cc(Br)cc2CBr)C1 2181919808 DJCXRLUVBQWCGV-GHMZBOCLSA-N 471.027 5.548 50 10 JKGE Cc1cc(Br)c(C)c([C@H](Br)C2[C@H]3[C@H]4CC[C@@H](C4)[C@H]23)c1Br 2201073139 LVWHBOXWPIHJEB-KPJOVKQNSA-N 463.051 6.557 50 10 JKGE COc1c(Cl)cc(Br)cc1[C@H](Br)c1ccc(F)c(Br)c1 2203004394 UVAQPWNIMCYZHN-CYBMUJFWSA-N 487.388 6.497 50 10 JKGE Brc1scc([C@@H](Br)c2ccc(-c3ccccc3)s2)c1Br 2206135127 KVPZAZGIUBMFOF-CYBMUJFWSA-N 493.083 7.486 50 10 JKGE Brc1sc([C@@H]2[C@H]3CC[C@@H](C3)[C@@H]2Br)c(Br)c1Br 2212188968 GRYJCDPGIDCHDC-YTLHQDLWSA-N 493.884 6.313 50 10 JKGE Cc1cc(Br)sc1[C@H](Br)c1sc(C)c(Br)c1C 2213743975 HPFLRCMSJISSKM-JTQLQIEISA-N 459.066 6.744 50 10 JKGE Cc1cc(Br)cc([C@H](Br)c2sc(Br)c(C)c2C)c1 2218788809 FFQLYSDWXFACTJ-LBPRGKRZSA-N 453.037 6.683 50 10 JKGE COCc1cc(Br)c([C@@H](Br)c2scc(Br)c2C)s1 2219006452 SJFMNVCCJJLLKU-JTQLQIEISA-N 475.065 6.274 50 10 JKGE Cc1cc(Br)c([C@H](Br)c2cscc2Cl)c(C)c1Br 2220158557 WUDXCKCXNGSSCW-CYBMUJFWSA-N 473.455 7.028 50 10 JKGE Cc1cc(Br)c([C@H](Cl)c2ccc(OCc3ccccc3)cc2)c(C)c1Cl 2224322518 PNDLRBDIAFUKML-JOCHJYFZSA-N 450.203 7.627 50 10 JKGE ClCCc1nc2cc(Br)ccc2n1C[C@@H]1CC1(Br)Br 2224804237 JDZUFYXAEVJSKR-QMMMGPOBSA-N 471.418 5.086 50 10 JKGE Brc1ccc([C@H](Br)[C@@H]2C[C@H]3CCC[C@H](C3)C2)c(Br)c1 2225322455 TZQJYVOCVLBAEK-KZTGVZKYSA-N 451.040 6.864 50 10 JKGE Cc1sc([C@H](Br)c2csc3c(Br)cccc23)cc1Br 2226081765 HONZGAXYPOWPOX-CYBMUJFWSA-N 481.072 7.281 50 10 JKGE Cc1cc(Br)c([C@H](Br)[C@@H]2CCO[C@@H](C)C2)c(C)c1Br 2227356104 PJYAQJIDJPDGIP-ZVWUFJHRSA-N 455.028 6.080 50 10 JKGE Cc1sc([C@H](Br)Cc2ccc(Br)cc2Cl)c(C)c1Br 2229147933 PONJZVUVUSRGEX-LLVKDONJSA-N 487.482 7.222 50 10 JKGE Fc1ccc(Br)cc1[C@H](Cl)c1c(Br)cc(Cl)c(Cl)c1Cl 2232511404 JWZCWUJVBKOAOU-NSHDSACASA-N 481.801 7.639 50 10 JKGE Cc1ccc([C@@H](Br)c2cc(F)c(F)c(F)c2F)cc1I 2232835115 YUFWZMWPGQXZKB-LLVKDONJSA-N 459.018 5.640 50 10 JKGE Cc1ccc([C@@H](C)[C@@H](Br)c2cc(Br)c(C)cc2Br)cc1 2240822733 BQLVPWFPMJIKOQ-SJKOYZFVSA-N 461.035 7.068 50 10 JKGE Cc1cc([C@@H](Br)c2ccc(Cl)c(I)c2)sc1Cl 2248217177 XRIIHLGMPSHQDF-NSHDSACASA-N 461.977 6.452 50 10 JKGE Fc1ccc([C@H](Br)c2cccc(Cl)c2Br)cc1Br 2256127520 NDZUTQLPKGRYME-LBPRGKRZSA-N 457.362 6.488 50 10 JKGE Cc1ccc([C@H](Br)c2c(F)cc(Br)c(F)c2Br)s1 2259999086 LIVMBRCFTLZLHJ-JTQLQIEISA-N 460.963 6.344 50 10 JKGE COc1ccc([C@@H](Br)c2cc(Br)ccc2C)cc1I 2269538299 AKFOJNGUWBQMTL-OAHLLOKOSA-N 495.980 5.855 50 10 JKGE Brc1cc(Br)cc(C[C@H](Br)CCCc2cccs2)c1 2277966780 VUKXKFDTLBHAAJ-GFCCVEGCSA-N 467.064 6.602 50 10 JKGE Cc1ccc([C@H](Br)c2c(Br)cc(C)c(F)c2C)c(Br)c1 2279160969 ZEMDCSRKQWBHHX-HNNXBMFYSA-N 464.998 6.760 50 10 JKGE COc1ccc(Br)c2c1nc([C@H](C)Cl)n2C[C@@H](C)COCc1ccccc1 2286082819 JFFACPNABZXFLF-CABCVRRESA-N 451.792 5.960 50 10 JKGE CSCC1(CC(CBr)(CBr)c2cccc(Br)c2)CCC1 2289814758 CHFVOHCFTDNJIJ-UHFFFAOYSA-N 485.123 6.400 50 10 JKGE CC1(C)CCC(C)(C)[C@@H](Cc2ccc(I)c(Cl)c2)[C@@H]1Br 2290318841 VOAUBSYIWYXJLM-WFASDCNBSA-N 469.632 6.713 50 10 JKGE Cc1ccc(OCCOc2ccc(Br)cc2C=C(C#N)c2ccc([N+](=O)[O-])cc2)cc1 2294732839 ZYRVDMFADGQGRA-UHFFFAOYSA-N 479.330 6.188 50 10 JKGE COc1c(Br)cc([C@H](Cl)c2csc(I)c2)c(OC)c1C 2295435082 OMMGBHGDYJDXOG-GFCCVEGCSA-N 487.584 5.769 50 10 JKGE Cc1ccc(NC(=O)C(C#N)=Cc2c(Oc3ccc(C)cc3C)nc3c(C)cccn3c2=O)cc1 2296723146 GAUPBPYOUBPREB-UHFFFAOYSA-N 464.525 5.266 50 10 JKGE C[C@H]1C[C@@H](Cc2ccc(I)c(Br)c2)C[C@H](Br)C1 2306199911 RGPLJCRZNJGHKD-ZMLRMANQSA-N 472.002 5.796 50 10 JKGE N#CC(=Cc1ccc(OCc2ccccc2F)c(Br)c1)C(=O)NCc1ccccc1 2313565333 RUJPVZZVPSKRPF-UHFFFAOYSA-N 465.322 5.391 50 10 JKGE COc1cc(C=C(C#N)C(=O)Nc2cccc(C)c2)ccc1OCc1ccc(Cl)cc1Cl 2313667186 GKPKYXYMEAEYEA-UHFFFAOYSA-N 467.352 6.435 50 10 JKGE Cc1ccc(C(=O)Nc2sc(C(C#N)=CC3=Cc4ccccc4O[C@H]3C)nc2-c2ccccc2)cc1 2314432559 CDJGNLDVDWTOEA-FQEVSTJZSA-N 489.600 7.142 50 10 JKGE Brc1cc(OCc2ccccc2)ccc1[C@H](Br)[C@H]1C[C@H]1C1CCCC1 2314443415 GOJAGXQFQRJNHR-ONTIZHBOSA-N 464.241 7.290 50 10 JKGE Cc1cccc([C@@H](Br)c2cc(Br)ccc2OCc2ccccc2)c1F 2314491354 QQRLVQHDPQNEJO-HXUWFJFHSA-N 464.172 6.960 50 10 JKGE CCOc1ccc(C=C(C#N)C(=O)Nc2nc(-c3ccc(OC(C)C)cc3)cs2)cc1OC 2314754064 JUXBFDNDGJAGFS-UHFFFAOYSA-N 463.559 5.550 50 10 JKGE CCCOc1ccccc1C=C(C#N)C(=O)Nc1scc(-c2ccc(C)cc2C)c1C(=O)OCC 2314795992 MCJMETHKJZCHKU-UHFFFAOYSA-N 488.609 6.543 50 10 JKGE CCc1sc(Br)cc1[C@H](Cl)c1c(Br)c(Br)nn1C 2316724973 DQXZENLGXPUROX-VIFPVBQESA-N 477.447 5.660 50 10 JKGE Cc1c(Cl)sc(Cl)c1[C@@H](Br)c1ccc(Cl)cc1I 2317777443 GXGQATLFUITWCM-JTQLQIEISA-N 496.422 7.106 50 10 JKGE CCCCCCCCCOc1ccc(C=NNC(=O)Cc2ccccc2)cc1Br 2323328005 PVDITLZHHZBHNB-UHFFFAOYSA-N 459.428 6.271 50 10 JKGE Brc1cc(C[C@H]2CCCCCC[C@@H]2Br)ccc1I 2325175684 PGXRDHUDDYZWTE-OLZOCXBDSA-N 486.029 6.330 50 10 JKGE Cc1cc(C)c(NC=C(C#N)C(=O)Nc2ccc(I)cc2C)c(Cl)c1 2325409393 IIAVLOHPCPKKIK-UHFFFAOYSA-N 465.722 5.328 50 10 JKGE CCOC(=O)c1c(NC(=O)C(C#N)=Cc2ccc(F)cc2)sc(C)c1-c1ccc(Cl)cc1 2329639455 ZKWYQJGMNDHDLG-UHFFFAOYSA-N 468.937 6.238 50 10 JKGE N#CC(=C(O)CCCOc1ccc(Cl)cc1Cl)c1nc(-c2ccc3ccccc3c2)cs1 2331239224 WUTMPTRSVSYJLE-UHFFFAOYSA-N 481.404 7.922 50 10 JKGE N#CC(=C(O)CN1C(=O)COc2ccc(Cl)cc21)c1nc(-c2ccc(Cl)cc2)cs1 2331300762 LKEYSBFUQKSIDF-UHFFFAOYSA-N 458.326 5.335 50 10 JKGE C[C@H](c1ccccc1)N1C[C@H](C(O)=C(C#N)c2nc(-c3ccc(F)c(F)c3)cs2)CC1=O 2331351930 NDFQZIUEIQWBCE-RHSMWYFYSA-N 451.498 5.491 50 10 JKGE COc1ccc(OCCCC(O)=C(C#N)c2nc(-c3cc(C(C)C)c(OC)cc3C)cs2)cc1 2331356050 IXLMESASUCIXNZ-UHFFFAOYSA-N 478.614 6.911 50 10 JKGE COc1ccc(OC)c(C=CC(O)=C(C#N)c2nc(-c3cc(Cl)cc(Cl)c3OC)cs2)c1 2331364193 QEDFJXHGMBEUDL-UHFFFAOYSA-N 489.380 6.649 50 10 JKGE CO[C@@H]1CC([C@@H](Br)c2cc(Br)ccc2OCc2ccccc2)C[C@H]1OC 2336039534 XQVJYKITOPFCTE-NJDAHSKKSA-N 484.228 5.904 50 10 JKGE Fc1cncc(OCc2cc(Br)cc(Br)c2)c1CBr 2337073473 XACAGSIGDBOCRM-UHFFFAOYSA-N 453.931 5.220 50 10 JKGE COc1ccccc1C[C@H](CBr)Cc1sccc1I 2338639070 YPYNYSXHVIPAEZ-NSHDSACASA-N 451.167 5.158 50 10 JKGE Cc1cc(Br)c(F)c(Br)c1[C@H](Br)C1CC(C(F)F)C1 2339683928 ISLOQYJEBHGMDZ-HNQUHTCLSA-N 464.945 6.386 50 10 JKGE Fc1ccc([C@H](Cl)c2ccc(Cl)cc2I)c(F)c1Br 2340063157 HRZJSRXZRGYYSP-GFCCVEGCSA-N 477.901 6.314 50 10 JKGE C[C@H](Br)C12CCC(CC1)N2Cc1ccc(Cl)cc1I 2341040227 FIZHZINSWFCMEH-KKJMOOEGSA-N 454.577 5.225 50 10 JKGE CN(Cc1ccc(Cl)cc1I)[C@@H]1CCCCC[C@@H]1Br 2341047491 HUOZTUXXKBPYHK-DZGCQCFKSA-N 456.593 5.473 50 10 JKGE BrC[C@]12CCC[C@H]1CN(Cc1ccc(I)c(Br)c1)C2 2349839250 GADQIESKNQASKH-WFASDCNBSA-N 499.028 5.051 50 10 JKGE Cc1cc(Br)c(C(C)C)cc1[C@@H](Br)c1cnsc1Br 2352790468 MQJBORBFPGCNJS-CYBMUJFWSA-N 468.052 6.584 50 10 JKGE CCCCO[C@@H]1[C@@H](Br)C[C@H]1OCc1ccc(Cl)cc1I 2365647805 NLGQKUDPDCNAQH-NWANDNLSSA-N 473.576 5.182 50 10 JKGE COc1ccc(Cl)cc1NC(=O)COc1ccc(/C=C(/C#N)c2nc3ccccc3[nH]2)cc1 33549475 NTFWXDHMQPRCJJ-ATVHPVEESA-N 458.905 5.307 50 10 JKGE CCOC(=O)c1c(-c2ccccc2)csc1NC(=O)/C(C#N)=C\c1ccccc1OC(C)C 33776649 WXAQLNCQRZIXNK-ZHZULCJRSA-N 460.555 5.925 50 10 JKGE CCCCOc1ccccc1[C@@H]1C(C#N)=C(N)Oc2cc(OC(=O)c3ccc(OC(C)C)cc3)ccc21 38682896 DFAICLWXPWEXLZ-NDEPHWFRSA-N 498.579 6.090 50 10 JKGE CCOc1cccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4oc5ccccc5c4C)ccc32)c1 38701196 BQHPNKJAICVPCU-RUZDIDTESA-N 466.493 5.577 50 10 JKGE Cc1ccc(C)c(NC(=O)/C(C#N)=C\c2c(Oc3ccccc3F)nc3c(C)cccn3c2=O)c1 39858735 XAMYMRYOLBJHHZ-RGEXLXHISA-N 468.488 5.097 50 10 JKGE CCCCCOc1cccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)Cc4ccc(OC)cc4)ccc32)c1 40530129 WDPYGIUMVIDWHJ-GDLZYMKVSA-N 498.579 5.630 50 10 JKGE Cc1c(C(=O)NCc2ccccn2)oc2c1/C(=N/NC(=O)c1ccc(-c3ccccc3)cc1)CCC2 40822563 YXEMMBQLVWUHCH-FEZSWGLMSA-N 478.552 5.050 50 10 JKGE COc1cc(/C=N/NC(=O)COc2c(C)cc(Br)cc2C)ccc1OCc1ccccc1 40888498 OTBDYCRSYSYZIW-MZJWZYIUSA-N 497.389 5.183 50 10 JKGE CCCCOc1ccc(-c2nn(-c3ccccc3)cc2/C=C(/C#N)c2nc3ccccc3[nH]2)cc1F 50647964 SILQCELJFJRUSZ-PGMHBOJBSA-N 477.543 6.798 50 10 JKGE COc1cc(/C=C(\C#N)C(=O)Nc2ccc(Cl)c(Cl)c2)ccc1OCc1cccc(C(=O)O)c1 59250085 OAGQYXXICABKPX-GIJQJNRQSA-N 497.334 5.825 50 10 JKGE CCOc1cc(/C=C(/C#N)C(=O)Nc2ccc(C)cc2)ccc1OCCOc1cccc(OC)c1 96544438 UMZJOTHDSXUMAP-JWGURIENSA-N 472.541 5.406 50 10 JKGE CCCC(=O)[C@H](Br)Cc1c(Br)cc(Br)cc1Br 110163189 IDSWCTNNKQZXOW-LLVKDONJSA-N 491.843 5.649 50 10 JKGE Brc1ccc(Br)c([C@@H](Br)[C@@H]2CCOc3ccccc32)c1 111187709 XDSZNBCPUUXSOZ-WBMJQRKESA-N 460.991 6.214 50 10 JKGE CSc1ccccc1[C@@H](Br)c1cc(Br)c(Br)s1 128248021 PFMQOEGQQXYOOR-LLVKDONJSA-N 457.050 6.479 50 10 JKGE CN1C(=O)CCc2cc([C@H](Br)c3cc(Br)c(Br)s3)ccc21 128563862 VGGSOMRJSGIMOG-AWEZNQCLSA-N 494.046 5.666 50 10 JKGE CCCCCCOc1ccc(/C=C(/C#N)C(=O)Nc2cccc(C(=O)OCCOCC)c2)cc1OC 206237518 UXZGQHZHCBEKOD-QJOMJCCJSA-N 494.588 5.393 50 10 JKGE COc1cc(/C=C(/C#N)C(=O)Nc2cccc(C(F)(F)F)c2)ccc1OCc1ccc(C)cc1 207151020 PRLJJIWCDTUVHE-NDENLUEZSA-N 466.459 6.147 50 10 JKGE CCc1ccc(CC)c([C@H](Br)c2ccc(I)c(Cl)c2)c1 232344062 NQZLUVJWKWHIKP-QGZVFWFLSA-N 463.584 6.554 50 10 JKGE CC(C)Cc1ccc([C@@H](Br)c2cc(Br)sc2Br)cc1 232655314 NYWISVOISMLIHU-CQSZACIVSA-N 467.064 6.956 50 10 JKGE COc1ccc(Br)cc1[C@H](Br)c1cccc(C)c1I 234814905 XKPUSBCRVVPPQB-CQSZACIVSA-N 495.980 5.855 50 10 JKGE COc1cc2c(cc1NC(=O)CC(C)=NNC(=O)Cc1ccc(Cl)cc1)oc1ccccc12 252460541 GECDRTFTZIZJFG-UHFFFAOYSA-N 463.921 5.311 50 10 JKGE CCCC(=NNC(=O)c1cc(C2CC2)nc2ccc(Br)cc12)c1ccc(Cl)s1 252623665 OWQBUUKUHGBUKS-UHFFFAOYSA-N 476.827 6.524 50 10 JKGE Cc1cc(C(=O)NN=Cc2c(C)nn(-c3ccccc3)c2Sc2nc3ccccc3s2)c(C)o1 254843121 ZPNKVMWAGRLQNY-UHFFFAOYSA-N 487.610 5.915 50 10 JKGE Cc1cc(Br)cc([C@@H](Cl)c2cc(I)cc3c2OCC3)c1 312245281 BEWVRHZTOUYWHM-OAHLLOKOSA-N 463.540 5.625 50 10 JKGE C[C@@H](Br)C[C@H]1CCCCN1C(=O)c1ccc(I)c(Cl)c1 313010702 WHJGHINLODVLFX-ZYHUDNBSSA-N 470.576 5.113 50 10 JKGE Cc1ccc(Br)cc1[C@H](Cl)c1cc(I)cc2c1OCC2 380151864 XIQRBQUOFZBEPY-HNNXBMFYSA-N 463.540 5.625 50 10 JKGE Cc1cc(F)c([C@H](Br)c2cc(I)ccc2Br)cc1C 395842597 ITVYIZYBAYKVIX-OAHLLOKOSA-N 497.971 6.294 50 10 JKGE CC(C)(C)[Si](C)(C)OCCN1CCOC[C@H]1c1cccc(CO[Si](C)(C)C(C)(C)C)c1 616640581 HZSNALPPURBWTE-QHCPKHFHSA-N 465.827 6.604 50 10 JKGE CC(C)(C)[Si](C)(C)OCCc1ccc([C@@H]2CN(S(=O)(=O)c3ccccc3)CCO2)cc1 616644162 ROQYXQAEVYSTFE-QHCPKHFHSA-N 461.700 5.013 50 10 JKGE CN(C(=O)OC(C)(C)C)c1cccc([C@@H]2CNc3ccccc3N2CCO[Si](C)(C)C(C)(C)C)c1 616686192 JHTYDMKRYOAOBA-VWLOTQADSA-N 497.756 7.053 50 10 JKGE Cc1cccc(Br)c1-n1c(CCl)nc2cc(I)ccc21 690413957 MNYNILDOUHMKGH-UHFFFAOYSA-N 461.528 5.440 50 10 JKGE Cl[C@@H](c1ccsc1Br)c1cc(Br)sc1Br 698674073 XUJZQOMYKAICIY-ZETCQYMHSA-N 451.430 6.425 50 10 JKGE Cc1cc([C@H](Br)Cc2ccc(Br)cc2F)sc1Br 709612042 BPMLIPKIGGEURO-SNVBAGLBSA-N 457.000 6.399 50 10 JKGE CC(=O)c1ccc(O[Si](C(C)C)(C(C)C)C(C)C)cc1O[Si](C(C)C)(C(C)C)C(C)C 725238745 PIGCRXRNCNRHJX-UHFFFAOYSA-N 464.839 8.998 50 10 JKGE CCOc1ccc([C@@H](O)CCC(=O)NN=Cc2cc(C)n(-c3ccccc3Br)c2C)cc1 725434674 CEYFPUQNRCVOEW-DEOSSOPVSA-N 498.421 5.219 50 10 JKGE C[C@H](NC(=O)COc1ccc(C=NNC(=O)c2ccc(Cl)cc2Cl)cc1)c1ccccc1 1084077733 YWBLNNIIFKLGOE-INIZCTEOSA-N 470.356 5.014 50 10 JKGE CO[C@@H](C(=O)NN=Cc1c(Br)c(C)n(-c2ccc(C)c(C)c2)c1C)c1ccccc1 1084154088 RUPSIKXETPGBAW-HSZRJFAPSA-N 468.395 5.311 50 10 JKGE O=C(CCCNc1ccc(Cl)cc1)NN=C(/C=C\c1ccc([N+](=O)[O-])cc1)c1ccccc1 1084428109 DTSFQGSAJBUGGS-SZDIMRPLSA-N 462.937 5.674 50 10 JKGE Cc1cc(C=NNC(=O)CC[C@H](O)c2ccccc2)c(C)n1-c1ccc(OCc2ccc(F)cc2)cc1 1084505268 QATOFOYZNIZGLJ-LJAQVGFWSA-N 499.586 5.776 50 10 JKGE 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 1616183571 YLQIANWVVVMWMO-BCXKNLBOSA-N 482.661 6.123 50 10 JKGE Cc1c(C(=O)NCCC(C)C)oc2c1C(=NNC(=O)c1ccc(-c3ccccc3)cc1)CCC2 1772746314 DKLRUAWFRXPYAS-UHFFFAOYSA-N 457.574 5.501 50 10 JKGE Cc1ccccc1NC(=O)c1oc2c(c1C)C(=NNC(=O)C(F)(F)C(F)(F)C(F)(F)F)CCC2 1772747290 MOKZNZYKYIKBDQ-UHFFFAOYSA-N 493.379 5.138 50 10 JKGE CCCCOc1ccc(C=NNC(=O)CSc2nc(-c3ccc(Cl)cc3)cs2)cc1OC 1772755184 SQAVDBHGZRKLFB-UHFFFAOYSA-N 490.050 5.893 50 10 JKGE COc1ccc(-c2nn(-c3ccc(Cl)cc3)c3c2[C@@H](c2ccc(C)cc2)C(C#N)=C(N)O3)cc1 1865685124 DHNMQBWSEBNFML-QHCPKHFHSA-N 468.944 5.728 50 10 JKGE CCOc1cc([C@H]2C(C#N)=C(N)Oc3c2c(C(F)(F)F)nn3CC)ccc1OCc1ccc(C)cc1 1865687926 DFVMEGVLJHKPCJ-NRFANRHFSA-N 498.505 5.426 50 10 JKGE CCOc1cccc([C@H]2C(C#N)=C(N)Oc3c2c(-c2ccc(OC)cc2)nn3-c2ccccc2)c1 1865689738 DMWNHEPOJSHDGE-DEOSSOPVSA-N 464.525 5.165 50 10 JKGE CCCn1nc(C(F)(F)F)c2c1OC(N)=C(C#N)[C@@H]2c1ccc(OCc2ccccc2)cc1 1865690508 TUPKSBARECJPDK-IBGZPJMESA-N 454.452 5.109 50 10 JKGE CCCc1nn(CCC)c2c1[C@@H](c1ccccc1OCc1ccc(Cl)cc1)C(C#N)=C(N)O2 1865701343 SRIJSEOELBYCEG-QHCPKHFHSA-N 462.981 5.696 50 10 JKGE CCN(Cc1ccccc1)c1ccc([C@@H]2C(C#N)=C(N)Oc3c2c(C)nn3Cc2cccc(F)c2)cc1 1865707020 MCIAMWLFOZATMF-MUUNZHRXSA-N 493.586 5.624 50 10 JKGE CCCC[C@H](NC(=O)[C@@H](Cc1ccccn1)c1ccccc1)C(=O)Nc1ccc(SC#N)cc1 1866695711 KEYCZJFPSGEPMS-DQEYMECFSA-N 472.614 5.295 50 10 JKGE CCOc1ccc([C@@H](CC(=O)NCC(=O)Nc2ccc(SC#N)cc2)c2ccc(Cl)cc2)cc1 1868166810 ZRPSBTVEELWWJQ-DEOSSOPVSA-N 494.016 5.589 50 10 JKGE COc1cc(/C=C(\C#N)c2nc3ccccc3s2)ccc1OC(=O)c1cccc([N+](=O)[O-])c1 1872726707 ABLVZGXHEWIEFS-GZTJUZNOSA-N 457.467 5.496 50 10 JKGE N#C/C(=C(O)\C=C\c1ccc(Cl)cc1Cl)c1nc(-c2ccc(-c3ccccc3)cc2)cs1 1872743547 AIENUZCMWPMGAZ-YSBBDDPKSA-N 475.400 8.290 50 10 JKGE COc1ccc(-c2csc(/C(C#N)=C(\O)[C@@H]3CC(=O)N([C@H](C)c4ccccc4)C3)n2)cc1C 1872746611 PTYWFEIYAORJSR-LHOOOJLOSA-N 459.571 5.530 50 10 JKGE N#C/C(=C(O)\C=C\c1ccc(Cl)cc1Cl)c1nc(-c2ccc(Cl)c(Cl)c2)cs1 1872748828 PIPULKRSWLLFDZ-KUNSGPAMSA-N 468.192 7.930 50 10 JKGE COc1ccc(C(C)(C)C)cc1-c1csc(/C(C#N)=C(O)/C(=C\c2ccccc2)c2ccccc2)n1 1872751582 OAMKBVNXVVYCRY-YINAVUDMSA-N 492.644 8.150 50 10 JKGE CCCCc1ccc(N2C[C@H](/C(O)=C(\C#N)c3nc(-c4ccc(F)c(F)c4)cs3)CC2=O)cc1 1872751597 OSVXXQIQXBKJOE-OFGUMHRGSA-N 479.552 6.277 50 10 JKGE Cc1ccc(C(C)(C)C)cc1-c1csc(/C(C#N)=C(\O)c2ccc(-c3ccccc3)cc2)n1 1872756401 YPPGPIBHZCPLTQ-RFBIWTDZSA-N 450.607 8.033 50 10 JKGE Cc1csc(/C(C#N)=C(\O)[C@H](C)N2C(=O)c3c(Cl)c(Cl)c(Cl)c(Cl)c3C2=O)n1 1872757377 CJGSBRLRABUCHS-YCFHZZQMSA-N 477.156 5.543 50 10 JKGE N#C/C(=C\c1cc(Br)ccc1F)c1nc(-c2ccc(Cl)c(Cl)c2)cs1 1872790653 WGWDCICPIHBPPI-LFYBBSHMSA-N 454.151 7.083 50 10 JKGE CC(C)c1ccc(-c2csc(/C(C#N)=C/c3ccc(OCc4ccc(Cl)cc4)cc3)n2)cc1 1872791194 BAFYVKUUXAMHGS-BUVRLJJBSA-N 471.025 8.230 50 10 JKGE COc1ccc(C)cc1-c1csc(/C(C#N)=C(\O)c2ccccc2C(=O)c2ccccc2)n1 1873921119 WCOHTRYDVCMPPG-ROMGYVFFSA-N 452.535 6.308 50 10 JKGE CCc1cc(Br)c([C@@H](Br)c2ccc(Br)c(OC)c2)s1 1876919878 ZQHLTWBKARNSAN-ZDUSSCGKSA-N 469.036 6.328 50 10 JKGE CC(C)(C)OC(=O)N[C@H](CBr)[C@H]1CN(Cc2ccccc2)C2(CCCCC2)C1 1885095291 AGHOFGVRERUDDF-WOJBJXKFSA-N 451.449 5.500 50 10 JKGE C[C@@H](Cl)CN(Cc1ccccc1)C(=O)c1cc(I)ccc1Br 1914640147 WPSLBIQUJWISQT-GFCCVEGCSA-N 492.582 5.323 50 10 JKGE Cc1ccc(C(=O)N(Cc2ccccc2)[C@@H](CBr)C2CC2)c(Br)c1 1915311868 HTMQWSLWONBLDU-IBGZPJMESA-N 451.202 5.573 50 10 JKGE Cc1c(C(F)(F)F)cccc1S(=O)(=O)N(Cc1ccccc1)C(C)(C)CBr 1915750170 FFULFWICYZEMGY-UHFFFAOYSA-N 464.347 5.378 50 10 JKGE CN(Cc1cc(Cl)ccc1I)C[C@@H](Cl)COCc1ccccc1 1916394563 OBDJCQBNWBJJBR-QGZVFWFLSA-N 464.174 5.201 50 10 JKGE Fc1ccc(Cl)c([C@H](Br)c2c(Br)sc(Br)c2Cl)c1 1923055758 YLRMDASVVKVAKM-QMMMGPOBSA-N 497.836 7.203 50 10 JKGE CC(C)C[C@@H](C)[C@H](Br)c1c(Br)sc(Br)c1Cl 1923063081 VZLOATQKPABELA-SVRRBLITSA-N 453.465 7.045 50 10 JKGE C[C@@H]1C[C@@H]([C@H](Cl)c2c(Br)sc(Br)c2Br)CO1 1924579799 KFZVFALVSVRUNT-LRMHIPNDSA-N 453.421 5.741 50 10 JKGE Fc1cccc([C@H](Cl)c2c(Br)sc(Br)c2Br)c1Cl 1924593836 IEPRTVRIBCCCJP-VIFPVBQESA-N 497.836 7.156 50 10 JKGE CC1(NC(=O)c2cc(Br)ccc2Br)CCC(Br)CC1 1924735036 DHPOFGLQIJOTQL-UHFFFAOYSA-N 454.000 5.038 50 10 JKGE Clc1sc(Cl)c([C@H](Cl)Cc2ccccc2I)c1Cl 1925619996 GYWDIQYRAZIOKM-SSDOTTSWSA-N 451.971 6.836 50 10 JKGE COc1ccc(CC(=O)NN=Cc2c(O)c(C(C)(C)C)cc3oc4c(c23)CCCC4)cc1OC 1933278113 KMOMKBYCTHEQOA-UHFFFAOYSA-N 464.562 5.025 50 10 JKGE CCCC[C@@H](Cl)c1c(Br)c(Br)cc(Br)c1Br 1995047024 CNYBQFQCTSTJSB-MRVPVSSYSA-N 498.278 7.207 50 10 JKGE CC1([C@H](Cl)c2c(Br)sc(Br)c2Br)CCOCC1 2005761383 JZBCRGUUCWIWSJ-MRVPVSSYSA-N 467.448 6.132 50 10 JKGE Cc1c(Br)sc([C@@H](Br)C2CC3(C2)CC32CC2)c1Br 2064002776 QAZGQPZHDZHOMB-CFEOFWIRSA-N 455.053 6.598 50 10 JKGE Cc1cc(Br)c(C)c([C@H](Cl)c2csnc2Br)c1Br 2081055496 UZRULUIEJWRLHL-LLVKDONJSA-N 474.443 6.376 50 10 JKGE Fc1cc(Br)c([C@@H](Br)c2sncc2Br)c(F)c1Cl 2081840497 HNTLMJWZNATZRT-SSDOTTSWSA-N 482.369 6.084 50 10 JKGE Clc1cccc([C@H](Br)c2ccc(Br)cc2Br)c1Cl 2083340384 UDGPDOGWZYYBNH-GFCCVEGCSA-N 473.817 7.003 50 10 JKGE CC(C)(C)OC(=O)N1CCC[C@@]2(CC[C@](C)(CI)O2)C12CCCCC2 2083790383 HUFOQBWMOMMTNY-UYAOXDASSA-N 463.400 5.463 50 10 JKGE Fc1ccc(I)cc1[C@H](Br)c1cc2sccc2s1 2084770363 SOICSIURJVPOBL-ZDUSSCGKSA-N 453.139 6.191 50 10 JKGE FC1(F)CN(Cc2ccc(Br)cc2Br)CC[C@H]1CBr 2092262409 ZMIUTHYALIVXEX-JTQLQIEISA-N 461.970 5.064 50 10 JKGE O=C(c1cc(Br)sc1Br)N1C[C@H](Br)CC2(CCC2)C1 2095001074 VZOJEFKZPASYIS-MRVPVSSYSA-N 472.040 5.053 50 10 JKGE Brc1cccc(Br)c1C[C@@H]1C[C@@H]2CCCC[C@@H]2[C@@H]1Br 2095362351 JERIBSXAYIVUTD-CENBSLRLSA-N 451.040 6.344 50 10 JKGE Clc1ccc(Br)cc1CC[C@H](Br)c1ccc(Br)cc1 2113481203 MZORBLJARDLJSQ-AWEZNQCLSA-N 467.426 6.934 50 10 JKGE CC1(C)C[C@@H](CBr)CN(C(=O)c2cc(Br)sc2Br)C1 2115962040 XMNIYCBBQCYRMO-QMMMGPOBSA-N 474.056 5.156 50 10 JKGE Brc1cc([C@H](Br)[C@@H]2C[C@H]2C2CCCCCC2)c(Br)s1 2135275852 AWYFKJGCKLGYRW-MISXGVKJSA-N 471.096 7.316 50 10 JKGE CCCC[C@H](CC)[C@@H](Br)c1c(C)c(Br)cc(C)c1Br 2136381097 YDCBZSWBVRVGSQ-BLLLJJGKSA-N 455.072 7.481 50 10 JKGE Cc1c(Br)ccc([C@H](Br)[C@@H]2C[C@H]3O[C@H]2[C@H]2C[C@H]23)c1Br 2138867808 YQQDJHCRMNHKPQ-RSKFKWFASA-N 450.996 5.379 50 10 JKGE Cn1nc([C@H](Br)c2cc(Cl)c(Cl)c(Cl)c2Cl)c(Cl)c1Cl 2150723675 OPGOUZGRKBDJQD-RXMQYKEDSA-N 457.797 6.825 50 10 JKGE BrCc1cc(Br)c(OCc2nc3c(s2)CCC3)c(Br)c1 2151185428 ZVJQZLXVTJEBEM-UHFFFAOYSA-N 482.035 5.631 50 10 JKGE CC(C)(CBr)[C@H]1CCCN1C(=O)c1cccc(Br)c1Br 2155836455 CJJUFHLWCAWOGY-GFCCVEGCSA-N 468.027 5.237 50 10 JKGE C[C@@]1(Cn2c(CCl)nc3cc(Br)c(Cl)cc32)CCCN1Cc1ccccc1 2159872261 RZHLSJFNWXSOIS-NRFANRHFSA-N 467.238 6.246 50 10 JKGE COc1cc(C)c([C@H](Br)c2cc(Cl)cc(Br)c2)cc1Br 2198737649 RIRYEDXMCSFTBW-OAHLLOKOSA-N 483.425 6.666 50 10 JKGE Cc1cc(Br)c(C)c([C@H](Cl)c2cc(Cl)ccc2Cl)c1Br 2201076628 HEEGZMGCKDQTDE-OAHLLOKOSA-N 457.420 7.463 50 10 JKGE COc1cc(F)c(F)cc1[C@H](Br)c1cc(Cl)ccc1I 2204495479 DXNOINWGFMWJTN-CQSZACIVSA-N 473.482 5.716 50 10 JKGE CCC12COC([C@@H](Br)c3c(C)c(Br)cc(C)c3Br)(C1)C2 2205188790 ODUQBGNIBXQELR-FHERZECASA-N 467.039 6.224 50 10 JKGE CC(C)(F)[C@](C)(F)[C@@H](Br)c1cc(Br)c(Br)cc1F 2218597525 MYINBXSKLIAKCO-CMPLNLGQSA-N 452.934 6.263 50 10 JKGE Cc1sc(Br)c([C@H](Br)c2c(C)sc(Br)c2C)c1C 2218795439 QRJZGFJUBRNBII-LLVKDONJSA-N 473.093 7.053 50 10 JKGE Cc1sc(Br)c(C)c1[C@@H](Br)c1c(Cl)cccc1Br 2218798290 MGFXUEICRIXSKQ-GFCCVEGCSA-N 473.455 7.028 50 10 JKGE Cc1cc(Br)c([C@H](Br)c2cc(C3CC3)c(Br)s2)s1 2221843844 QTAJUKHVBASSIN-LLVKDONJSA-N 471.077 7.005 50 10 JKGE COCC1([C@H](Br)c2c(Br)cc(Cl)c(Cl)c2Cl)CCC1 2224321820 MWKXBBGUCBRXGE-GFCCVEGCSA-N 451.413 6.662 50 10 JKGE Brc1ccc([C@@H](Br)[C@H]2C[C@H]3CCC[C@H](C3)C2)c(Br)c1 2225322454 TZQJYVOCVLBAEK-BUWBCJGYSA-N 451.040 6.864 50 10 JKGE Cc1sc([C@H](Br)c2cc(C3CC3)c(Br)s2)c(C)c1Br 2226078767 UALLKUMOMZFNSL-GFCCVEGCSA-N 485.104 7.313 50 10 JKGE Cn1nc(Br)c([C@H](Cl)c2c(Br)cc(Cl)c(Cl)c2Cl)n1 2226975379 VWUWILXHXGFLPG-MRVPVSSYSA-N 468.791 5.629 50 10 JKGE BrC[C@@H]1C[C@@H]2CCCC[C@H]2N1c1ncc(Br)cc1Br 2231987551 FPISXUCFSUGKQX-XHVZSJERSA-N 453.016 5.139 50 10 JKGE C[C@@H](Cl)c1nc2ccc(F)c(Br)c2n1C[C@H]1CC1(Br)Br 2233039016 JGLMINANAPHLQQ-RNFRBKRXSA-N 489.408 5.744 50 10 JKGE Cc1cc(Br)c([C@H](Br)CC2CCCCCC2)c(C)c1Br 2235601890 BPJGIQNWIOHPEI-OAHLLOKOSA-N 467.083 7.625 50 10 JKGE Cc1cc(Br)c([C@H](Br)C2CCC3(CC2)CC3)c(C)c1Br 2235611384 JSDKXNFFKBZHPH-MRXNPFEDSA-N 465.067 7.235 50 10 JKGE Clc1cccc([C@@H](Cl)c2cc(Br)sc2Br)c1Br 2248096062 KPIJJPYAFHRFRT-SNVBAGLBSA-N 479.846 7.017 50 10 JKGE COc1cccc([C@@H](Br)c2cc(Br)sc2Br)c1Cl 2256329275 LMVOLSJIKBCGGE-SNVBAGLBSA-N 475.427 6.419 50 10 JKGE COc1ccc([C@@H](Cl)c2c(F)cccc2I)c(Br)c1 2267658659 HYNWJMDHSZXWAR-CQSZACIVSA-N 455.492 5.530 50 10 JKGE COc1ccc([C@@H](Br)c2cn(C)c(Br)n2)c(Br)c1Cl 2268267213 BPIJGQIFSGMLMG-SECBINFHSA-N 473.390 5.091 50 10 JKGE Cc1cc(Br)c(C)c([C@@H](Br)[C@@H]2CCC(F)(F)C2)c1Br 2277726364 AHXZUJIJNHZQEB-RNCFNFMXSA-N 460.982 6.700 50 10 JKGE COc1c(Br)cc(Cl)cc1[C@@H](Br)c1scc(C)c1Br 2277886359 CEAQZTMILRQORV-LLVKDONJSA-N 489.454 6.728 50 10 JKGE COc1c([C@@H](Br)c2cc(Cl)c(Cl)s2)cc(Br)c(C)c1C 2284582471 GAVVSQFCDRHIDF-GFCCVEGCSA-N 459.030 6.927 50 10 JKGE COc1ccc([C@@H](Br)[C@@H]2CC(F)(F)C23CCC3)cc1I 2285013197 TZZMOMVFIVISQG-GXFFZTMASA-N 457.096 5.561 50 10 JKGE CC1(C)CCC[C@H]([C@@H](Br)c2c(F)cc(Br)c(F)c2Br)O1 2288489620 WHJRMWBMNHVTEC-MWLCHTKSSA-N 476.981 6.274 50 10 JKGE Fc1cc(Br)cc(OCc2cc(Br)ccc2Cl)c1CBr 2295172253 VCYJDYMYMMEZHC-UHFFFAOYSA-N 487.388 6.478 50 10 JKGE COc1c(Br)cc(Cl)cc1[C@H](Cl)c1c(Cl)cccc1Br 2295265049 MMZYBLFXIWXECB-ZDUSSCGKSA-N 459.392 6.855 50 10 JKGE CN(Cc1ccc(I)c(Cl)c1)[C@@H](CBr)c1ccccc1 2296480720 UQTCQTXKOLSHNI-INIZCTEOSA-N 464.572 5.513 50 10 JKGE N#CC(=Cc1cn(Cc2ccc(F)cc2Cl)c2ccccc12)c1nn(-c2ccccc2)c(N)c1C#N 2313543981 WVAIZXMUCQKRSW-UHFFFAOYSA-N 492.945 6.186 50 10 JKGE Fc1ccc([C@H](Br)c2cc(Br)ccc2OCc2ccccc2)cc1F 2314449852 UBGRUEQZUWBACH-FQEVSTJZSA-N 468.135 6.791 50 10 JKGE CC(C)[C@@H]1CCC[C@@H]1[C@@H](Br)c1cc(Br)ccc1OCc1ccccc1 2314490957 PACFPVQXWPDENT-CNNODRBYSA-N 466.257 7.536 50 10 JKGE Cc1cc([C@H](Br)c2cc(Br)ccc2OCc2ccccc2)ccc1F 2314491586 RLJXARLUYCEDPT-NRFANRHFSA-N 464.172 6.960 50 10 JKGE CCc1ccc(N2C(=O)[C@@H](Cc3ccc(F)cc3)SC2=C(C#N)C(=O)N[C@H](C)c2ccccc2)cc1 2314593580 POEBIVJOVOZLOY-NIYFSFCBSA-N 499.611 5.692 50 10 JKGE Cc1nc(NC(=O)C(C#N)=Cc2ccc(Br)cc2)sc1C(=O)OCc1ccccc1 2329663529 RBVDBFRCCPQFNC-UHFFFAOYSA-N 482.359 5.117 50 10 JKGE Brc1cc(Br)c([C@@H](Br)[C@@H]2C[C@@H]3CCCCCC[C@@H]32)s1 2329818446 NVTPGBABSJCNHU-DYNIEEOBSA-N 471.096 7.316 50 10 JKGE CC(C)[C@H](C(O)=C(C#N)c1nc(-c2ccc3ccccc3c2)cs1)N1C(=O)c2ccccc2C1=O 2331237900 QWBRJVBLCLWINR-XMMPIXPASA-N 479.561 6.077 50 10 JKGE CC[C@@H](C)[C@H](C(O)=C(C#N)c1nc(-c2ccc(C(C)(C)C)cc2)cs1)N1C(=O)c2ccccc2C1=O 2331332841 UESNKORUSIIABN-MZNJEOGPSA-N 499.636 6.611 50 10 JKGE CCOc1ccc(OCC)c(-c2csc(C(C#N)=C(O)CCCOc3ccc(OC)cc3)n2)c1 2331376526 NJQRLGISZOJIHX-UHFFFAOYSA-N 480.586 6.268 50 10 JKGE COc1c(Cl)cc(-c2csc(C(C#N)=C(O)Cc3cc(Cl)ccc3Cl)n2)cc1Cl 2331396556 OJMMOFSXENRQTQ-UHFFFAOYSA-N 486.207 7.468 50 10 JKGE Fc1c(Br)cc(Cl)c([C@H](Br)[C@@H]2[C@H]3CCCC[C@H]32)c1Br 2337084250 JFWSDDFXXSYHIR-PBAAAUGASA-N 475.421 6.876 50 10 JKGE CCCOc1ccc([C@@H](Br)c2cnsc2Br)cc1Br 2337311231 IEQUBGRPROXNKN-GFCCVEGCSA-N 470.024 5.941 50 10 JKGE COc1c(Br)cc(C)c([C@@H](Br)[C@]2(C)CCOC2)c1Br 2339690026 GSUIUMUIRFWDOO-ZIAGYGMSSA-N 457.000 5.391 50 10 JKGE ClC[C@@H](Cc1cc(I)ccc1Cl)c1cccc(Br)c1 2352423489 HUUALLULPPCRNI-GFCCVEGCSA-N 469.975 6.272 50 10 JKGE Brc1ccc(OCc2ccccc2)c([C@@H](Br)c2ccc3c(c2)COCC3)c1 2361201398 SCFUDNKOENNKLY-QHCPKHFHSA-N 488.219 6.585 50 10 JKGE Cc1cc(C(F)(F)F)sc1[C@H](Cl)c1cc(Br)ccc1OCc1ccccc1 2361213103 ASULGAJJFOOMJI-GOSISDBHSA-N 475.757 7.745 50 10 JKGE FC(F)(F)[C@H]1C[C@@H](Br)CCN1Cc1cccc(Br)c1Br 2361420742 MQWUQGPOMMMPLS-GXSJLCMTSA-N 479.960 5.502 50 10 JKGE O=C(c1scc(Br)c1Br)N1CC[C@@H](Cl)C[C@@H]1C(F)(F)F 2361462957 QUQWCNMZHWPDHH-IYSWYEEDSA-N 455.521 5.047 50 10 JKGE Cc1cc(Br)c(F)c(Br)c1[C@H](Br)c1cc(F)cc(F)c1 2365177831 DTJUZHHCMHBFMG-GFCCVEGCSA-N 472.924 6.422 50 10 JKGE COc1c(Br)cc(C)c([C@@H](Br)CC2CCCCC2)c1Br 2365189905 ZKUJDUCKGMBYJJ-LBPRGKRZSA-N 469.055 6.935 50 10 JKGE COc1c(Br)cc(C)c([C@@H](Br)C[C@@H]2C[C@H]2C2CC2)c1Br 2365190527 GATUFZUGFSTELN-SRVKXCTJSA-N 467.039 6.401 50 10 JKGE CCCC[C@@H](C)CC[C@H](Br)c1c(C)cc(Br)c(F)c1Br 2365194836 VRDMDKMCEUTULD-PWSUYJOCSA-N 473.062 7.702 50 10 JKGE COc1c(Br)cc(C)c([C@H](Br)c2cc(C)oc2C)c1Br 2365232837 RNWMCIBVTRFTKS-CYBMUJFWSA-N 466.995 6.223 50 10 JKGE O=C(c1csc(Br)c1Br)N1CCC[C@@H](Br)[C@H]1C(F)(F)F 2370254061 YRPVOQWPRVEROT-SVRRBLITSA-N 499.972 5.204 50 10 JKGE FC(F)(F)C1(CCOc2c(Br)cc(CBr)cc2Br)CC1 2370898687 KENUZPAGGGTVNW-UHFFFAOYSA-N 480.944 6.218 50 10 JKGE Cc1cc(Br)cc(Br)c1OCC(=O)N/N=C/c1ccc2ccccc2c1 12483060 PCJHLMHISHJLJU-FOKLQQMPSA-N 476.168 5.202 50 10 JKGE C[C@@H](Oc1ccc(-c2ccccc2)cc1)C(=O)NNC(=O)C(c1ccccc1)c1ccccc1 14038592 WFYRPQCMMDOAHU-OAQYLSRUSA-N 450.538 5.100 50 10 JKGE Cc1ccc([C@@H]2c3ccsc3CCN2C(=O)CN(CC(C)C)C(=O)C(C)(C)CCl)cc1 16499707 KECBTNSWPXKZLM-HSZRJFAPSA-N 461.071 5.280 50 10 JKGE O=C(CCc1nc(-c2ccccc2)c(-c2ccccc2)o1)NNc1ccc(C(F)(F)F)cc1[N+](=O)[O-] 21287427 SOILAINODLGDQP-UHFFFAOYSA-N 496.445 6.012 50 10 JKGE COc1cc(/C=C(/C#N)c2cccc(Cl)c2)ccc1OC(=O)C(c1ccccc1)c1ccccc1 31902356 NAVLROHRMRHJIV-UQQQWYQISA-N 479.963 7.150 50 10 JKGE O=C(CSc1nc2ccccc2s1)N/N=C/c1ccc(OCc2c(F)cccc2Cl)cc1 32520739 CWSJTXIEYRYVPN-RPPGKUMJSA-N 485.993 5.910 50 10 JKGE Cc1cc(/C=C(C#N)\C(O)=N\c2cc(C(F)(F)F)ccc2Cl)c(C)n1-c1ccc(F)cc1 34798599 NDPFSOVYELLHGJ-YBEGLDIGSA-N 461.846 7.101 50 10 JKGE N#C/C(=C\c1cn(-c2ccccc2)nc1-c1cccc2ccccc12)c1nc(-c2ccc(F)cc2)cs1 35519259 SYJSWHVMGYBIBQ-HAVVHWLPSA-N 498.586 8.019 50 10 JKGE CCCCOc1ccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4cccc(OC)c4)ccc32)cc1 38650755 HITHVPDCOVPBBG-AREMUKBSSA-N 470.525 5.311 50 10 JKGE CCCCOc1ccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4ccccc4Cl)ccc32)cc1 38650757 NGQQVHCMATUBIJ-RUZDIDTESA-N 474.944 5.956 50 10 JKGE CC(C)CCOc1cccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)Cc4ccccc4)ccc32)c1 38684746 DJGVRHRUUMIKPN-NDEPHWFRSA-N 468.553 5.478 50 10 JKGE CCc1ccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4oc5ccccc5c4C)ccc32)cc1 38700439 YHEUHGNVMHJWCM-RUZDIDTESA-N 450.494 5.741 50 10 JKGE COc1ccc(OC)c(/C=N/NC(=O)CCCOc2ccc(C(C)(C)C)cc2Br)c1 40951422 CKEQXCHUDBZRRZ-MFKUBSTISA-N 477.399 5.073 50 10 JKGE C=CCc1cc(/C=N\NC(=O)CC[C@H](O)c2ccccc2)ccc1OCc1ccc(Cl)cc1Cl 58891727 FZWVBZZPUBFKCJ-ZSYYNXLFSA-N 497.422 6.265 50 10 JKGE C[C@H](NC(=O)/C(C#N)=C/c1cc(Br)ccc1OCc1ccccc1F)c1ccccc1 59255694 VTJJAYNTJGPTSD-RSZPVBOMSA-N 479.349 5.952 50 10 JKGE O=C(N/N=C1\C(=O)N(Cc2c(Cl)cccc2Cl)c2ccccc21)c1ccccc1Cl 59471817 DXRDEHRXSYJWQI-QOMWVZHYSA-N 458.732 5.328 50 10 JKGE Brc1ccc(O[C@H]2C[C@H](Br)C23CCCCCC3)c(Br)c1 97647297 MSOYFOBZJZMKAG-GJZGRUSLSA-N 467.039 6.467 50 10 JKGE CCCCCCOc1ccc(/C=C/C(=O)Oc2cccc(/C=C(/C#N)C(=O)OC)c2)cc1OC 98028237 JAGIHWPCOLXJGO-KNHRRAQVSA-N 463.530 5.353 50 10 JKGE CCOc1ccc(N2C(=O)[C@H](Cc3ccc(C)cc3)S/C2=C(/C#N)C(=O)Nc2ccccc2)cc1 101244667 WUSUGAVWEMTEDG-UZEPBSNMSA-N 483.593 5.459 50 10 JKGE Cc1ccc(NC(=O)[C@H](Br)[C@@H](Br)c2ccccc2)c(Br)c1 101642728 ZDUCHERKUCBCPZ-LSDHHAIUSA-N 476.006 5.596 50 10 JKGE Fc1cc(Br)ccc1[C@H](Cl)c1cc(Br)ccc1Br 104041049 JUQLSSLGRCYEBY-ZDUSSCGKSA-N 457.362 6.441 50 10 JKGE O=C(Br)N1c2ccccc2[C@H](Br)[C@H](Br)c2ccccc21 136551508 XJGIMRNXFBIKAU-OKILXGFUSA-N 459.963 6.225 50 10 JKGE Fc1cccc(CC(CCl)(CCl)c2cccc(Br)c2)c1Br 157922290 XTDNEALKSZZICR-UHFFFAOYSA-N 454.992 6.309 50 10 JKGE Cc1ccc2ccccc2c1[C@H](Br)c1cc(Br)c(Br)s1 161101683 WXWYFEPVPAKTTC-OAHLLOKOSA-N 475.043 7.219 50 10 JKGE Clc1cnccc1C[C@@H](Br)c1cc(Br)ccc1Br 161329502 YJLGUQJEJARDGS-GFCCVEGCSA-N 454.387 5.939 50 10 JKGE CCCCCCOc1ccc(/C=C2\C(=O)N([C@H](C)c3ccccc3)C(=O)C(C#N)=C2C)cc1OC 214342362 HILOEDASXYHJPJ-ZALQFNEYSA-N 472.585 6.008 50 10 JKGE CC(C)(CCCBr)CNC(=O)c1cc(Br)sc1Br 227926977 DBPIARUBHSGLOG-UHFFFAOYSA-N 462.045 5.204 50 10 JKGE Cc1cc(C=NNC(=O)c2cc3c(ccc4ccccc43)o2)c(C)n1-c1ccc(C(=O)O)cc1 252630730 VEHCJXXXQGBSHB-UHFFFAOYSA-N 451.482 5.456 50 10 JKGE Cc1ccc(NCCCC(=O)N/N=C(\Cc2ccccc2)c2ccc(-c3ccccc3)cc2)cc1 253565521 HVHFADQJDQNYHQ-KKYHWDRJSA-N 461.609 6.617 50 10 JKGE CCN(CC)c1ccc(C(=O)NN=Cc2ccc(N(c3ccccc3)c3ccccc3)cc2)cc1 254493653 IIAUFAMBCWMDFQ-UHFFFAOYSA-N 462.597 6.767 50 10 JKGE CC(=NNC(=O)[C@H]1C[C@H]1c1ccc(C(C)(C)C)cc1)c1cccc(NC(=O)c2cccc(F)c2)c1 254759650 WQTXVJPUASVZAC-UIOOFZCWSA-N 471.576 6.019 50 10 JKGE Cc1ccc(Cn2c(SCC(=O)NN=Cc3c(O)ccc4ccccc34)nc3ccccc32)cc1 254837327 XLRKQOXWRWPVKQ-UHFFFAOYSA-N 480.593 5.494 50 10 JKGE CC(=NNC(=O)c1ccc(C(C)(C)C)cc1)c1cccc(NC(=O)c2ccc(Cl)cc2Cl)c1 263629325 VJLDIYAYVNLVEB-UHFFFAOYSA-N 482.411 6.697 50 10 JKGE Cc1cccc(Br)c1[C@@H](Cl)c1cc(Br)ccc1Br 311193702 DTPDDQFYMMTDSV-AWEZNQCLSA-N 453.399 6.611 50 10 JKGE O=C(Nc1cccc(CCBr)c1)c1ccc(I)c(Cl)c1 313180882 UPDIEDQSPJLTCA-UHFFFAOYSA-N 464.528 5.134 50 10 JKGE Cn1ncc([C@H](Br)c2cc(Br)ccc2Br)c1Br 383167892 FUYTXRVHSCDZAE-SNVBAGLBSA-N 487.815 5.192 50 10 JKGE CC(C)(C)[Si](C)(C)OCCc1cccc([C@@H]2COCCN(CCO[Si](C)(C)C(C)(C)C)C2)c1 616599432 YLTHEMJFLSYXAL-VWLOTQADSA-N 493.881 6.689 50 10 JKGE BrCc1ccc(N2CC[C@H]3[C@H](CCCN3Cc3ccccc3)C2)cc1Br 715016588 WGGVRVMPNRQKPQ-KNQAVFIVSA-N 478.272 5.835 50 10 JKGE Cc1ccc(C(CBr)(CBr)C[C@H](C)COCc2ccccc2)cc1 719437491 KDDSQBUNBFTOFD-SFHVURJKSA-N 454.246 6.266 50 10 JKGE C=CCOc1c(Cl)cc(C=NNC(=O)c2cc3cc(Br)ccc3o2)cc1OCC 1083868802 JVFOEUTZQAPPES-UHFFFAOYSA-N 477.742 5.576 50 10 JKGE CCOc1ccc(NC(=O)/C(C#N)=C\c2cn(Cc3ccc(Cl)cc3Cl)c3ccccc23)cc1 1083895080 QFJDQEQUDLTDEN-UYRXBGFRSA-N 490.390 6.941 50 10 JKGE C=CCc1cc(C=NNC(=O)CC[C@@H](O)c2ccccc2)cc(OC)c1OCc1ccc(F)cc1 1083919568 XXORKRAMLRTQNL-RUZDIDTESA-N 476.548 5.106 50 10 JKGE Cc1cc(/C=C(\C#N)C(=O)Nc2cccc(Cl)c2Cl)c(C)n1-c1cccc(Br)c1 1083920191 GFCLOXGZVDPZBA-MHWRWJLKSA-N 489.200 6.709 50 10 JKGE O=C(NN=Cc1ccc(OCc2ccc(Cl)cc2Cl)cc1)C(=O)Nc1ccccc1Cl 1084092041 PJDWKFTULMPZMM-UHFFFAOYSA-N 476.747 5.315 50 10 JKGE COc1cc(/C=C(\C#N)C(=O)NCc2ccccc2)cc(Cl)c1OCc1ccc(F)cc1 1084096938 PYEUZHFSWCMSIK-RGVLZGJSSA-N 450.897 5.290 50 10 JKGE Cc1cc(C)cc(-n2c(C)cc(C=NNC(=O)CSCc3ccccc3Br)c2C)c1 1084378519 BLHRAPDEAOGNBC-UHFFFAOYSA-N 484.463 5.857 50 10 JKGE COc1ccc(/C=C(/C#N)C(=O)Nc2cccc([N+](=O)[O-])c2)cc1OCc1ccccc1Cl 1084492076 OOKPBVZXHPOQPL-WQRHYEAKSA-N 463.877 5.381 50 10 JKGE O=C(NN=Cc1ccc(OCc2ccccc2)cc1)c1cccc(NC(=O)c2ccc(F)cc2)c1 1084534772 ROXVATJIDAYXCX-UHFFFAOYSA-N 467.500 5.421 50 10 JKGE Nc1cc(C(F)(F)F)ccc1[C@@H]1CN(C(=O)OCc2ccccc2)C[C@@H]1CBr 1614644176 ZSNYCPSWCMEHCE-WMLDXEAASA-N 457.290 5.035 50 10 JKGE COc1ccccc1C(=O)NN=C1CCCc2oc(C(=O)Nc3ccc(Br)cc3)c(C)c21 1772745774 GYRPKTIOTQZVRL-UHFFFAOYSA-N 496.361 5.082 50 10 JKGE Cc1occc1C(=O)NN=C1CCCc2oc(C(=O)Nc3ccccc3C(F)(F)F)c(C)c21 1772750164 YVBWJILQCAXRNV-UHFFFAOYSA-N 459.424 5.231 50 10 JKGE CCc1ccc(OC(=O)c2oc3c(c2C)C(=NNC(=O)c2ccc4ccccc4n2)CCC3)cc1 1772751024 FUYVVCDAGMJZHZ-UHFFFAOYSA-N 467.525 5.388 50 10 JKGE COc1ccc(-c2nn(-c3ccc(Cl)cc3)c3c2[C@H](c2cccc(O)c2)C(C#N)=C(N)O3)cc1 1865681082 DQIZJJISDPTFKV-JOCHJYFZSA-N 470.916 5.125 50 10 JKGE COc1ccc([C@@H]2C(C#N)=C(N)Oc3c2c(-c2ccccc2)nn3Cc2ccc(Cl)cc2)cc1O 1865682580 RWJLXDXWXGLYFH-HSZRJFAPSA-N 484.943 5.184 50 10 JKGE CCOc1cccc([C@H]2C(C#N)=C(N)Oc3c2c(-c2ccc(OC)cc2)nn3Cc2ccccc2)c1 1865690185 KXGXUDHFJAQLCD-VWLOTQADSA-N 478.552 5.224 50 10 JKGE Cc1ccc(COc2ccc([C@H]3C(C#N)=C(N)Oc4c3c(C)nn4Cc3cccc(Cl)c3)cc2)cc1 1865692153 BOUHKOFEGKILAA-MHZLTWQESA-N 496.998 5.999 50 10 JKGE CCn1nc(-c2ccc(OC)cc2)c2c1OC(N)=C(C#N)[C@@H]2c1ccc(OCc2ccc(C)cc2)cc1 1865692839 JOSBRAZOEDFXJK-SANMLTNESA-N 492.579 5.684 50 10 JKGE N#CC1=C(N)Oc2c(c(-c3ccccc3)nn2Cc2ccccc2)[C@H]1c1cc(Br)ccc1O 1865695301 BGZWZKISZPPEEM-QFIPXVFZSA-N 499.368 5.285 50 10 JKGE CCN(Cc1ccccc1)c1ccc([C@H]2C(C#N)=C(N)Oc3c2c(-c2ccc(OC)cc2)nn3C)cc1 1865707033 MEIWDKAQKQVVHF-SANMLTNESA-N 491.595 5.340 50 10 JKGE COc1ccc(-c2nn(Cc3ccccc3F)c3c2[C@H](c2ccc(F)cc2)C(C#N)=C(N)O3)cc1 1865708190 QICWNSJOOIPKLQ-HSZRJFAPSA-N 470.479 5.103 50 10 JKGE CCc1ccc([C@H]2C(C#N)=C(N)Oc3c2c(C(F)(F)F)nn3Cc2cccc(Cl)c2)cc1 1865709203 QZHAYQPCBIYZKY-SFHVURJKSA-N 458.871 5.384 50 10 JKGE N#CSc1ccc(NC(=O)[C@H](Cc2ccc(F)cc2)NC(=O)[C@@H]2C[C@@H]2c2ccc(F)cc2)cc1 1866936811 PGWNJFAFOKPCEN-SMIHKQSGSA-N 477.536 5.008 50 10 JKGE Cc1ccc(-c2nc(Nc3ccc(SC#N)cc3)cc(N3CCN(CC(C)(C)C)CC3)n2)cc1 1868320297 GVSMGQQIPKVZGX-UHFFFAOYSA-N 472.662 5.937 50 10 JKGE Cc1ccc2c(c1)nc(/C(C#N)=C/c1ccc(N3N=C(c4ccccc4)C[C@H]3c3ccccc3)cc1)n2C 1872727864 DLJPVUYIISJEQK-RRQSVALFSA-N 493.614 7.302 50 10 JKGE CCOc1cc(/C=C(\C#N)c2nc3ccccc3n2CC)ccc1OCc1ccc(Cl)cc1 1872731399 ZAVPWSOBDDRDFI-RCCKNPSSSA-N 457.961 6.751 50 10 JKGE N#C/C(=C(/O)c1cccc(N2COc3ccc4ccccc4c3C2)c1)c1nc(-c2ccccc2)cs1 1872748087 IATHDBJZLVAPMH-GNVQSUKOSA-N 487.584 7.270 50 10 JKGE N#C/C(=C(/O)c1ccc2c(c1)C(=O)N(Cc1ccccc1)C2=O)c1nc(-c2ccc(F)cc2)cs1 1872751975 JOFMFRSKYBBDIO-GYHWCHFESA-N 481.508 5.695 50 10 JKGE CCOc1ccc(/C=C(C(/O)=C(\C#N)c2nc(-c3c[nH]c4ccccc34)cs2)\c2ccccc2)cc1 1872753416 VZWXIDSLDSMADG-XICCPGFZSA-N 489.600 7.724 50 10 JKGE CCOc1ccc(-c2csc(/C(C#N)=C(\O)c3ccc(-n4cccc4)cc3)n2)c(OCC)c1 1872755419 LXUYWYOPMCIBEB-LVWGJNHUSA-N 457.555 6.348 50 10 JKGE CCCOc1ccc(/C=C(\C#N)c2nc(-c3cc(C(C)C)c(OC)cc3C)cs2)cc1OCC 1872793210 NLDLHOQXUKFYGJ-FYJGNVAPSA-N 476.642 7.502 50 10 JKGE COc1cc(C)c(-c2csc(/C(C#N)=C/c3cc(Br)ccc3O)n2)cc1C(C)C 1872793378 WWPCTCSPCKBMFI-LZYBPNLTSA-N 469.404 6.783 50 10 JKGE Cc1ccccc1COc1ccc(/C=C(\C#N)c2nc(-c3cc(Cl)ccc3Cl)cs2)cc1 1872795246 VLZOXVBQMQBPIY-UDWIEESQSA-N 477.416 8.069 50 10 JKGE CCCOc1ccc(-c2csc(/C(C#N)=C(\O)Cc3ccc(OCC)cc3)n2)cc1OCCC 1872818248 TWRFYYMASLPSBH-GYHWCHFESA-N 478.614 6.822 50 10 JKGE CCOc1cc(/C=N/NC(=O)c2ccc3[nH]c4c(c3c2)CCCC4)ccc1OCc1ccc(C)cc1 1873498562 VCBHSEIBTRYRMP-FDAWAROLSA-N 481.596 6.097 50 10 JKGE C[C@H](c1ccccc1)N1C[C@@H](/C(O)=C(\C#N)c2nc(-c3ccc4ccccc4c3)cs2)CC1=O 1873941125 XQXCVIUODPNULK-WILWEFTBSA-N 465.578 6.366 50 10 JKGE C[C@@](F)(CO[C@@H](CI)c1ccc(Br)cc1)C(F)(F)F 1876652683 ZBFXIUDKBLTGLB-WDEREUQCSA-N 455.027 5.232 50 10 JKGE CC[C@@H](Br)CN(Cc1ccccc1)C(=O)Cc1ccccc1I 1915128882 SYTSMTCVDYGUCV-QGZVFWFLSA-N 486.191 5.036 50 10 JKGE CC(C)[C@@H](CBr)N(Cc1ccccc1)C(=O)c1c(F)cc(Br)cc1F 1915322820 OAXVKBULGILPCB-QGZVFWFLSA-N 475.171 5.789 50 10 JKGE Cc1cccc(C[C@H](Br)c2sc(Br)c(C)c2Br)c1 1922945156 CVZXAAQIRDAHBA-NSHDSACASA-N 453.037 6.569 50 10 JKGE CC(C)CC1([C@@H](Br)c2sc(Br)cc2Br)CCCC1 1922947149 YXTHZBSQVBUNNV-ZDUSSCGKSA-N 459.085 7.316 50 10 JKGE Cl[C@@H](c1c(Br)sc(Br)c1Br)[C@H]1CC[C@H]2C[C@H]1CO2 1924616223 MNWPGIUECVYAKZ-ZFVDQJKFSA-N 479.459 6.131 50 10 JKGE Brc1cccnc1C[C@H](Br)c1ccccc1I 1924908645 XLMCJXGYOXFUIU-NSHDSACASA-N 466.942 5.127 50 10 JKGE Clc1sc(Br)c(Cl)c1[C@H](Br)[C@@H]1CCOc2ccccc21 1925597503 FHCOBWILZWMMLN-LDYMZIIASA-N 457.014 6.820 50 10 JKGE Clc1sc(Br)c(Cl)c1[C@@H](Br)c1cscc1Br 1925617073 GWSNTIJSVNOXSI-LURJTMIESA-N 485.875 7.126 50 10 JKGE C[C@@]1(CI)CC[C@H](c2cc(Br)ccc2Br)O1 1935888813 IIIUBTPPXPKFNB-NEPJUHHUSA-N 459.947 5.257 50 10 JKGE C[C@H](C1CC1)N(Cc1ccccc1)S(=O)(=O)c1cc(CBr)sc1Br 2009621922 LDUBHZTUVMAFOK-GFCCVEGCSA-N 493.286 5.395 50 10 JKGE CC(C)C1([C@H](Br)c2c(Br)sc(Br)c2Cl)CCC1 2017134791 LPEZLMQFJSKWSG-SECBINFHSA-N 465.476 7.189 50 10 JKGE Cc1nsc(Br)c1[C@H](Br)c1c(Br)sc(C)c1C 2024021872 DNZXBRGENCKJOV-SECBINFHSA-N 460.054 6.139 50 10 JKGE Cc1oc(Br)cc1[C@H](Br)c1ccc(Br)cc1Br 2024279292 LYBXZNJFXXQVCO-GFCCVEGCSA-N 487.811 6.360 50 10 JKGE Fc1ccc(C[C@H](Br)c2csc(Br)c2Br)c(F)c1 2032953345 HULFPGQDUQEYGS-VIFPVBQESA-N 460.963 6.230 50 10 JKGE Brc1ccc([C@H](Br)c2cc(C3CC3)c(Br)s2)cc1 2033643613 SYOQZKUANOYKNW-ZDUSSCGKSA-N 451.021 6.635 50 10 JKGE N#CC(=C(Cl)c1cc(I)ccc1Br)c1ccsc1 2035107018 DIIAZHXGFYFWJT-UHFFFAOYSA-N 450.526 5.746 50 10 JKGE C[C@H](c1cccs1)N(Cc1ccccc1)S(=O)(=O)c1ccsc1CBr 2059323105 FAFPIFLCWMINHB-CQSZACIVSA-N 456.452 5.657 50 10 JKGE COc1cc(Cl)c([C@H](Br)c2ccsc2Br)cc1Br 2082382380 NFSAPAYYJHFXRC-LLVKDONJSA-N 475.427 6.419 50 10 JKGE FC(F)(F)[C@@H]1C[C@H]1C[C@@H](Br)c1ccc(Br)cc1Br 2083339694 REOZLNLZOZMGHF-WQGWLQIFSA-N 450.918 6.236 50 10 JKGE Cc1cc([C@H](Br)c2ccc(Br)cc2Br)ccc1Cl 2083339713 RMIVDGXAEUWIDH-AWEZNQCLSA-N 453.399 6.658 50 10 JKGE Cl[C@@H](c1c(Br)sc(Br)c1Br)[C@@H]1CCn2nccc2C1 2108966951 WHXZJPGYVLYBRP-LHLIQPBNSA-N 489.458 5.775 50 10 JKGE FC(F)(F)c1csc([C@H](Cl)c2cc(Br)c(Cl)s2)c1Br 2115942528 MPDIOXDXYFLFRB-SSDOTTSWSA-N 474.976 7.335 50 10 JKGE FC(F)(F)C1([C@@H](Br)c2cc(Br)c(Br)s2)CCCCC1 2116579208 XPYYRAOJQYPUFH-VIFPVBQESA-N 485.001 7.222 50 10 JKGE Cc1cc(Br)c([C@@H](Br)C2(F)CC3(CCC3)C2)cc1Br 2127939626 GJMKNYYFXJBRHA-CYBMUJFWSA-N 455.003 6.628 50 10 JKGE Cc1c(Br)ccc([C@@H](Br)[C@@H]2C[C@@H]3CC[C@H](C2)O3)c1Br 2138849330 DOTSIJUCKXBEPA-DDIVZENXSA-N 453.012 5.914 50 10 JKGE CCOc1ccc(C)cc1[C@H](Br)c1cccc(Br)c1Br 2148752037 RXSKLLWNAPXILL-OAHLLOKOSA-N 463.007 6.403 50 10 JKGE BrCc1ccc(Br)cc1N1C[C@@]23CCC[C@@]2(CN(Cc2ccccc2)C3)C1 2153341391 OZYFUUSYHDMFSD-ZRZAMGCNSA-N 490.283 5.837 50 10 JKGE ClCc1nc2cc(Br)c(Cl)cc2n1CC1CCN(Cc2ccccc2)CC1 2159871163 JAMIEZLTTJQMBX-UHFFFAOYSA-N 467.238 6.103 50 10 JKGE C[C@@H]1CN(Cc2ccccc2)C[C@H]1n1c(CCCl)nc2cc(Br)c(Cl)cc21 2159886452 UETYWSVTGQPLRP-JLTOFOAXSA-N 467.238 5.927 50 10 JKGE CN(C[C@@H](Br)C1CCCCC1)C(=O)c1cc(Br)c(Br)s1 2167654042 SQTNLHCNVJKOFU-LLVKDONJSA-N 488.083 5.689 50 10 JKGE Cc1nn(C)c(Br)c1COc1c(Br)cc(Cl)cc1CBr 2185794110 IGBLLIXUPDDJJY-UHFFFAOYSA-N 487.417 5.381 50 10 JKGE Cc1c([C@@H](Br)c2csc3c(Br)cccc23)c(Br)nn1C 2188146707 JKIMWKBHALQEOD-LBPRGKRZSA-N 479.035 5.953 50 10 JKGE Cc1cc(Br)c(C)c([C@H](Br)[C@@H](C)c2ccccc2)c1Br 2201070768 CIGRYUFNQKIUEO-APPDUMDISA-N 461.035 7.068 50 10 JKGE Cc1cc2sc([C@@H](Br)c3cc(Br)c(Cl)cc3C)cc2s1 2202370004 FMKKCMDUKBDWPR-HNNXBMFYSA-N 450.648 7.480 50 10 JKGE O=C(c1ccc(Br)cc1I)N1CCCC[C@H]1CCCCl 2207268242 RJAAXMDSVALWMG-LBPRGKRZSA-N 470.576 5.067 50 10 JKGE COc1cc(F)c(Cl)cc1[C@H](Cl)c1cc(Br)ccc1I 2207369687 XLWPYYFHCUAUKR-CQSZACIVSA-N 489.937 6.183 50 10 JKGE Cn1cc(Br)c([C@@H](Cl)c2c(Br)cc(Cl)c(Cl)c2Cl)n1 2224306846 IFSUTKJUHAHGSZ-JTQLQIEISA-N 467.803 6.234 50 10 JKGE Clc1cc([C@H](Cl)c2c(Br)cc(Cl)c(Cl)c2Cl)ccc1Br 2232509309 CGLFMOCXXBZVAP-NSHDSACASA-N 498.256 8.153 50 10 JKGE C[C@H](C1CCCCC1)[C@H](Br)c1c(Br)cc(Cl)c(Cl)c1Cl 2232529653 YGRKJZQJYQIODI-OQPBUACISA-N 463.468 8.062 50 10 JKGE Fc1ccc2nc(CCCl)n(C[C@@H]3CC3(Br)Br)c2c1Br 2233039337 KRWALFVXHYBQPB-ZETCQYMHSA-N 489.408 5.225 50 10 JKGE Cc1nscc1C[C@@H](Br)c1cc(I)ccc1Br 2246958748 DGQUMROIAGFADC-GFCCVEGCSA-N 486.998 5.497 50 10 JKGE Cc1cc2c(nc(CCl)n2CCCN(Cc2ccccc2)Cc2ccccc2)c(C)c1F 2253509607 RIDLHEOBTWJVDX-UHFFFAOYSA-N 450.001 6.624 50 10 JKGE CCc1cc([C@@H](Br)c2nn(C)c(Br)c2C)sc1Br 2255982165 HQBUCNLYADXTTR-SECBINFHSA-N 457.029 5.362 50 10 JKGE Fc1cc(Br)c(F)c(Br)c1[C@@H](Br)c1ccc(Cl)o1 2259999737 UCQUQBZLCHWJAG-VIFPVBQESA-N 465.313 6.221 50 10 JKGE C[C@@H]([C@H](Br)c1c(F)cc(Br)c(F)c1Br)C(F)(F)F 2260067156 HKNBUULQXQRASF-NOWQDGDBSA-N 460.860 6.124 50 10 JKGE Fc1cccc(C[C@H](Br)c2ccc(Cl)c(I)c2)c1F 2268315093 HSADVTFDLSSSEW-JTQLQIEISA-N 457.483 5.902 50 10 JKGE COc1csc([C@H](Br)c2c(F)cc(Br)c(F)c2Br)c1 2272850688 YADJZQHSZZGWRL-JTQLQIEISA-N 476.962 6.044 50 10 JKGE CC(C)(C)CCN(CCBr)Cc1cccc(Br)c1Br 2274244937 CCTDDJUYBBBGRX-UHFFFAOYSA-N 456.060 5.845 50 10 JKGE Clc1cccc(Cl)c1[C@@H](Br)Cc1cc(Br)cc(Br)c1 2277961595 VXJYEBWKCHDVSX-NSHDSACASA-N 487.844 7.197 50 10 JKGE COc1ccc([C@@H](Br)c2scc(Br)c2Br)c2c1CCC2 2284520461 HGEVYVBICYRZMF-CYBMUJFWSA-N 481.047 6.255 50 10 JKGE Fc1cc(Br)c(F)c(Br)c1[C@H](Br)[C@@H]1CC[C@@H]1C(F)(F)F 2288345186 PUPDABWDAWBSBR-IKMPGZOFSA-N 486.898 6.514 50 10 JKGE CC1(C)CCC(C)(C)[C@H](Cc2cc(Cl)ccc2I)[C@@H]1Br 2290332671 KEGTVPAOALGSHN-HIFRSBDPSA-N 469.632 6.713 50 10 JKGE COc1ccc(-c2nn(-c3ccccc3)cc2C=C(C#N)C(=O)N[C@@H](C)c2ccccc2)cc1C 2296705020 GKHBXLDXLXEPNM-NRFANRHFSA-N 462.553 5.641 50 10 JKGE C=CCOc1ccc(-c2nn(-c3ccccc3)cc2C=C(C#N)C(=O)NCc2cccnc2)c(C)c1 2296707781 KBJRCHKTMZUGIU-UHFFFAOYSA-N 475.552 5.031 50 10 JKGE N#CC(=Cc1ccc(-c2cc(Cl)ccc2Cl)o1)c1nc(-c2ccc3ccccc3c2)cs1 2296819163 GRSOHYHCBLENNX-UHFFFAOYSA-N 473.384 8.594 50 10 JKGE COc1cc(C=C(C#N)C(=O)Nc2nc3ccccc3s2)ccc1OCCOc1ccccc1 2297500133 LUOFQYQVZXXYHQ-UHFFFAOYSA-N 471.538 5.308 50 10 JKGE Cn1nc(Br)c([C@H](Cl)c2cc(Br)ccc2OCc2ccccc2)n1 2299497073 WJMQIQPUKZJICF-OAHLLOKOSA-N 471.580 5.247 50 10 JKGE CCOC1CC([C@@H](Br)c2ccc(OCc3ccccc3)cc2Br)C1 2299506317 AMVJSEOMVPMYOF-MKJPBZQASA-N 454.202 6.279 50 10 JKGE Cn1cc([C@H](Cl)c2ccc(OCc3ccccc3)cc2Br)c(Br)n1 2299521674 HUPCHKLMNHWNBG-QGZVFWFLSA-N 470.592 5.852 50 10 JKGE COC[C@]1(C)C[C@@H]1[C@@H](Br)c1cc(Br)ccc1OCc1ccccc1 2299527904 MZWFVGZTLHQEJA-HOJAQTOUSA-N 454.202 6.137 50 10 JKGE C=CCOc1c(CC=C)cc(C=C(C#N)C(=O)Nc2cccc(Cl)c2Cl)cc1OCC 2313571502 XVVJJFNVMUOYJR-UHFFFAOYSA-N 457.357 6.231 50 10 JKGE COc1cc(C=C(C#N)C(=O)Nc2cc(Cl)ccc2C)ccc1OCc1cccc(Cl)c1 2313676879 SQPBQQMNKDXGFE-UHFFFAOYSA-N 467.352 6.435 50 10 JKGE C[C@@]12CC[C@@]([C@@H](Br)c3ccc(OCc4ccccc4)cc3Br)(CO1)C2 2314446175 RVVYBHWVXXZLFT-ACRUOGEOSA-N 466.213 6.423 50 10 JKGE Brc1ccc(OCc2ccccc2)c([C@H](Br)C2C[C@H]3CC[C@H](C2)C3)c1 2314455564 PREQBRIVMGTITM-PNLZDCPESA-N 464.241 7.290 50 10 JKGE CC1=C(C#N)C(=O)N([C@@H](C)c2ccccc2)C(=O)C1=Cc1ccc(-c2cc(Cl)ccc2Cl)o1 2314619081 ZKYQNVKCWQHASX-INIZCTEOSA-N 477.347 6.607 50 10 JKGE CCCOc1c(OC)cc(C=C(C#N)c2nc(-c3ccc(Cl)cc3)cs2)cc1[N+](=O)[O-] 2323831957 WPCJYARLQRIFDA-UHFFFAOYSA-N 455.923 6.233 50 10 JKGE CC(C)c1ccc(NC=C(C#N)C(=O)N2CCN(C(c3ccccc3)c3ccccc3)CC2)cc1 2324598952 NVFQUEQSFDQKHJ-UHFFFAOYSA-N 464.613 5.563 50 10 JKGE N#CC(=Cc1c(OCc2ccccc2)ccc2ccccc12)c1cc2c(cc1[N+](=O)[O-])OCCO2 2331051348 BULRQWXGMXLUED-UHFFFAOYSA-N 464.477 6.162 50 10 JKGE Cc1c([N+](=O)[O-])cc(C(O)=C(C#N)c2nc(-c3ccc(Cl)cc3Cl)cs2)cc1[N+](=O)[O-] 2331254398 HUGRXRLIWZQEGV-UHFFFAOYSA-N 477.285 6.192 50 10 JKGE Cc1ccc(-c2csc(C(C#N)=C(O)[C@@H](CC(C)C)N3C(=O)c4ccccc4C3=O)n2)c(C)c1 2331308972 IOMGKCXNWFYDOR-HSZRJFAPSA-N 471.582 5.931 50 10 JKGE COc1cc(C(O)=C(C#N)c2nc(-c3ccc(Cl)c(Cl)c3)cs2)cc(OC)c1OC 2331311512 PIWTUUPDPUOYAJ-UHFFFAOYSA-N 463.342 6.093 50 10 JKGE COc1ccc(C(C)(C)C)cc1-c1csc(C(C#N)=C(O)c2ccccc2C(=O)c2ccccc2)n1 2331349367 MXJPBHJYNYDRCM-UHFFFAOYSA-N 494.616 7.297 50 10 JKGE COc1ccc(-c2csc(C(C#N)=C(O)COc3cc(Cl)ccc3Cl)n2)c(C)c1C 2331362209 JHGOCBWHTWOBIE-UHFFFAOYSA-N 461.370 6.614 50 10 JKGE Cc1cc(C)c(C)c(-c2csc(C(C#N)=C(O)c3ccc(NS(C)(=O)=O)cc3)n2)c1C 2331364720 YMDSGPXGETURRC-UHFFFAOYSA-N 453.589 5.365 50 10 JKGE COc1ccc(-c2csc(C(C#N)=C(O)c3cccc(OCC(C)C)c3)n2)c(OC)c1OC 2331412950 VLRWOAVUFXQFTN-UHFFFAOYSA-N 466.559 5.821 50 10 JKGE COc1cc(Br)cc(C=C(C#N)c2nc(-c3cccc([N+](=O)[O-])c3)cs2)c1O 2331414395 CPYVGFLYXGPPLR-UHFFFAOYSA-N 458.293 5.259 50 10 JKGE N#CC(=Cc1ccccc1OCc1ccc(Cl)cc1)c1nc(-c2ccc(Cl)cc2Cl)cs1 2331424943 OPYXGMRTQWOMEH-UHFFFAOYSA-N 497.834 8.413 50 10 JKGE CCCOc1ccc(-c2csc(C(C#N)=Cc3ccc(N(CC)CC)cc3)n2)cc1OCCC 2331438073 YXIQBQYDSPISOO-UHFFFAOYSA-N 475.658 7.298 50 10 JKGE CCCCOc1ccc(C=C(C#N)c2nc(-c3ccc(OC)cc3OC)cs2)cc1OCC 2331472893 DITGVRMJPAPQQN-UHFFFAOYSA-N 464.587 6.469 50 10 JKGE COC(=O)c1c(NC(=O)c2ccccc2NC(=O)c2ccccc2)sc(C(C)=CC#N)c1C 2331562222 UDEJTDXUUGPEJE-UHFFFAOYSA-N 459.527 5.275 50 10 JKGE CC[C@H](Br)[C@@H]1CCCCN1Cc1ccc(Cl)cc1I 2341052099 RMFFQQDEFLXBOT-ZFWWWQNUSA-N 456.593 5.473 50 10 JKGE BrCCN(Cc1ccc(I)c(Br)c1)c1ccccc1 2349832233 UXPQOOHJAOLTCA-UHFFFAOYSA-N 494.996 5.455 50 10 JKGE Fc1ccccc1[C@H](Br)CCc1ccc(I)c(Br)c1 2349838736 XARVNMNHCXESSP-GFCCVEGCSA-N 497.971 6.262 50 10 JKGE FC1(F)CC[C@H](Br)[C@@H](Cc2cc(I)ccc2Cl)CC1 2352428427 UXJZVXRTDOOMGY-SKDRFNHKSA-N 463.531 6.076 50 10 JKGE Fc1cc(Br)c(F)c(Br)c1[C@@H](Br)[C@H]1OC[C@@H]2CCC[C@H]12 2359722411 XKPFNYBGAVSFRL-OFWXDHLBSA-N 474.965 5.741 50 10 JKGE COc1cccc([C@H](Br)c2c(C)cc(Br)c(F)c2Br)c1 2365179979 QMGYBBBRAQFGCE-ZDUSSCGKSA-N 466.970 6.152 50 10 JKGE Cc1cc(Br)c(F)c(Br)c1[C@@H](Br)[C@]12COC[C@H]1C2(F)F 2365191950 SOGMDQHGSOEKII-HFKOZYHYSA-N 478.928 5.377 50 10 JKGE Clc1ccc(I)cc1CN1C[C@H](Br)C2(CCCCC2)C1 2380527224 KKXPWQLQKFEDHP-HNNXBMFYSA-N 468.604 5.474 50 10 JKGE Cc1cc([C@H](Br)c2cc(C(C)C)c(Br)cc2C)c(Br)s1 2380951774 LDZRRIOJTVUQSP-OAHLLOKOSA-N 481.091 7.498 50 10 JKGE CC[C@H](C)Oc1cccc(C(=O)NNC(=O)c2ccc(NC(=O)c3ccc(C(C)(C)C)cc3)cc2)c1 10662584 YNPWAIZOFFZLJA-IBGZPJMESA-N 487.600 5.489 50 10 JKGE CCc1ccc(OCC(=O)NNC(=O)N2c3ccccc3Sc3ccccc32)c(Br)c1 13988917 FZYAASHWOHFZCS-UHFFFAOYSA-N 498.402 5.434 50 10 JKGE COc1cc(/C=C(\C#N)c2nc(O)c3ccccc3n2)ccc1OCC(=O)Nc1cccc(Cl)c1 34988303 KOJWLWKYZSOPEF-GZTJUZNOSA-N 486.915 5.079 50 10 JKGE C/C(=N\Nc1ccc([N+](=O)[O-])cc1)c1ccc(/C(CCl)=N\Nc2ccc([N+](=O)[O-])cc2)s1 35145811 BEKAUKAWYUQPNA-KSIRRMIGSA-N 472.914 5.456 50 10 JKGE C=CCOc1ccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4oc5ccccc5c4C)ccc32)cc1 38688575 SJXGVSOVINQYBB-AREMUKBSSA-N 478.504 5.743 50 10 JKGE CCOc1ccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4oc5ccccc5c4C)ccc32)cc1OC 38688712 GXQASASJQIDVEA-SANMLTNESA-N 496.519 5.586 50 10 JKGE N#C/C(=C\c1ccc2noc(-c3ccc(Cl)cc3)c2c1)C(=O)Nc1cccc(C(F)(F)F)c1 39884756 ZHUHXQTVCGGXEA-MHWRWJLKSA-N 467.834 6.713 50 10 JKGE CCOc1cccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)[C@@H](C)Oc4ccc(CC)cc4)ccc32)c1 40530186 VSOSZXIJIMMJCE-DNOBIOAJSA-N 484.552 5.239 50 10 JKGE CCCCOc1ccc(/C=N/NC(=O)COc2ccc(-c3ccccc3)cc2Br)cc1 40910558 BGPVKZNNNQYVPV-WPWMEQJKSA-N 481.390 5.824 50 10 JKGE O=C(CSc1nc(-c2ccccc2)cs1)N/N=C/c1ccc(OCc2ccccc2F)cc1 40924648 XPHPOOAUCNSJLH-MZJWZYIUSA-N 477.586 5.771 50 10 JKGE C[C@H](SCc1ccccc1)C(=O)N/N=C/c1ccc(Oc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])cc1 59151513 NRJJUPDCWMPYHR-GCMSVZMUSA-N 480.502 5.067 50 10 JKGE Cc1ccc(N2C(=O)[C@@H](Cc3ccccc3)S/C2=C(/C#N)C(=O)NCc2ccccc2)cc1C 101241298 NDLKDFDOOZUKFT-IEQIIXMPSA-N 467.594 5.046 50 10 JKGE CCc1ccc(N2C(=O)[C@@H](Cc3cccc(Cl)c3)S/C2=C(/C#N)C(=O)Nc2ccccc2)cc1 101244378 CBFFMRZOGBOSQZ-NLTRVXJZSA-N 488.012 5.967 50 10 JKGE CCCOc1ccc(-c2nn(-c3ccccc3)cc2/C=C(/C#N)C(=O)NCc2ccccc2)cc1C 102859523 XOGMAEFIDWUSTA-BWAHOGKJSA-N 476.580 5.860 50 10 JKGE Brc1cc([C@@H](Br)c2cccc3ccccc23)c(Br)s1 109870018 HWKNBSSYDWRTPA-AWEZNQCLSA-N 461.016 6.911 50 10 JKGE Fc1cc(F)c([C@@H](Br)c2cc(Br)sc2Br)c(F)c1 114846958 DBAYPMYZJUHPQX-JTQLQIEISA-N 464.926 6.175 50 10 JKGE BrCc1cc(OCc2ccc(I)cc2)ccc1Br 129064433 RVYOPWAFYQALIL-UHFFFAOYSA-N 481.953 5.528 50 10 JKGE Cc1ccc(Br)c([C@@H](Br)c2cc(Cl)c(Br)s2)c1 161288249 JOVKPRATDZJCSF-LLVKDONJSA-N 459.428 6.719 50 10 JKGE Clc1cccc([C@@H](Br)c2csc3c(Br)cccc23)c1Cl 163527722 ILQCZTMXVQWBBR-CYBMUJFWSA-N 451.010 7.455 50 10 JKGE CCCOc1ccc(/C=C(/C#N)C(=O)Nc2nc(-c3ccc(-c4ccccc4)cc3)cs2)cc1 206414657 HNRAGDFBCIDAFN-ULJHMMPZSA-N 465.578 6.812 50 10 JKGE N#C/C(=C/NCc1cccc(Br)c1)C(=O)Nc1ccc(Cl)c(C(F)(F)F)c1 217250734 BZYMFMGEWWJGBR-BENRWUELSA-N 458.665 5.257 50 10 JKGE COc1ccc([C@H](Br)c2ccc(F)cc2I)cc1Cl 234999773 HICORBAMTQJYPS-AWEZNQCLSA-N 455.492 5.577 50 10 JKGE Cc1ccc2ccccc2c1[C@H](Br)c1cc(Br)sc1Br 235910237 KNALXFRIUJFUKL-OAHLLOKOSA-N 475.043 7.219 50 10 JKGE CCn1c(C)nc2cc(C(=O)NN=Cc3cn(-c4ccccc4)nc3-c3ccc(F)cc3)ccc21 254593412 MRZAHFKDJOFJSV-UHFFFAOYSA-N 466.520 5.120 50 10 JKGE CCCCCCCCCCCCCC(=O)NN=Cc1ccc(OC(=O)c2ccccc2)c(OCC)c1 254760444 YGRLIBTYKLVXKY-UHFFFAOYSA-N 494.676 7.456 50 10 JKGE O=C(NN=Cc1c2ccccc2cc2ccccc12)c1[nH]c(-c2ccccc2)cc1-c1ccccc1 257352678 MPRXGXMJQPQDRO-UHFFFAOYSA-N 465.556 7.419 50 10 JKGE COc1ccc(Br)cc1[C@@H](Br)c1cc(Br)sc1C 302652240 WBSVELATPKPUHM-ZDUSSCGKSA-N 455.009 6.074 50 10 JKGE Cl[C@H](c1ccc(OCc2ccccc2)cc1)c1cc(Br)sc1Br 310024964 UFLYPZKQHGJUBF-QGZVFWFLSA-N 472.629 7.180 50 10 JKGE BrCc1cc(Br)cc(Br)c1OCCc1cccs1 310940518 OCGIMUJHOKLTGN-UHFFFAOYSA-N 455.009 5.790 50 10 JKGE C[C@H](Cl)c1nc2ccccc2n1-c1ccc(I)cc1Br 312206903 BKRXWMBOWPXAQE-VIFPVBQESA-N 461.528 5.692 50 10 JKGE C[C@H](Br)C[C@H]1CCCCN1C(=O)c1cc(Cl)ccc1I 312342868 GVMZMECAGQZUGC-CMPLNLGQSA-N 470.576 5.113 50 10 JKGE ClCc1nc2cncc(Cl)c2n1-c1cc(Br)ccc1I 380055595 SSPCKOICCWPNSI-UHFFFAOYSA-N 482.934 5.180 50 10 JKGE CC(C)(C)OC(=O)N1C[C@@H](CBr)[C@H](c2ccc(Cl)c(Br)c2)C1 382678915 ABQDOLOUXWYVAF-NEPJUHHUSA-N 453.602 5.448 50 10 JKGE O=C(OCc1ccccc1)N1C[C@@H](CBr)[C@H](c2ccc(Br)c(Cl)c2)C1 382695831 YVXDTLCLCZIYPW-CVEARBPZSA-N 487.619 5.850 50 10 JKGE CC(C)(C)[Si](C)(C)OCCc1ccccc1[C@H]1CCCN(S(=O)(=O)c2ccccc2)C1 616610317 HIBDTTCIDHFRFH-QFIPXVFZSA-N 459.728 5.819 50 10 JKGE Cc1sc([C@H](Cl)c2cc(Br)sc2Br)c(C)c1Br 724907622 AMOMFEUPJPYWFO-SECBINFHSA-N 479.484 7.042 50 10 JKGE CC1(C)OB(c2ccc3nc([C@H]4CC[C@H](O[Si](C)(C)C(C)(C)C)CC4)[nH]c3c2)OC1(C)C 725408018 NGLMPEGLEQPCFK-UAPYVXQJSA-N 456.512 5.910 50 10 JKGE CCOc1cc(C=NNC(=O)CC[C@H](O)c2ccccc2)cc(Cl)c1OCc1cccc(F)c1 1083937422 ZCYPCPPLDYGTFJ-QHCPKHFHSA-N 484.955 5.421 50 10 JKGE N#C/C(=C\c1cc(Br)c(Sc2ccc(Cl)cc2)o1)c1cccc(Cl)c1 1083979422 TXTTUWLESDIEKM-UKTHLTGXSA-N 451.172 7.564 50 10 JKGE Cc1cccc(NC(=O)/C(C#N)=C\c2cc(Cl)ccc2OCc2ccc(Cl)cc2Cl)c1 1084010478 ZLZQHURIJHDKCU-ZDLGFXPLSA-N 471.771 7.080 50 10 JKGE Cc1cc(C=NNC(=O)c2cc3cc(Br)ccc3o2)c(C)n1-c1cccc(C(=O)O)c1 1084111923 TXXMZYRYYKCZPQ-UHFFFAOYSA-N 480.318 5.065 50 10 JKGE CCOc1cc(C=NNC(=O)c2ccc(CN3CCC(Cc4ccccc4)CC3)cc2)ccc1O 1084375684 QYHGVTUZRHXTIA-UHFFFAOYSA-N 471.601 5.010 50 10 JKGE COc1cccc(/C=C(/C#N)C(=O)Nc2cc([N+](=O)[O-])ccc2Cl)c1OCc1ccccc1 1084483995 WVLZCHVNLKFKDT-PDGQHHTCSA-N 463.877 5.381 50 10 JKGE O=C(NN=Cc1cc(Cl)ccc1OCc1cccc(Cl)c1)c1ccccc1Br 1084567442 VFPGAUSMZHHSJZ-UHFFFAOYSA-N 478.173 6.099 50 10 JKGE COc1cc(C=NNC(=O)Nc2ccccc2)cc(Br)c1OCc1ccccc1Cl 1084569458 FOVSAXAGLDVONN-UHFFFAOYSA-N 488.769 5.846 50 10 JKGE Cc1cccc(Cn2cc(/C=C(\C#N)C(=O)Nc3ccc(Cl)c(Cl)c3)c3ccccc32)c1 1084614579 XZQVLEXRMRCKLH-XDHOZWIPSA-N 460.364 6.851 50 10 JKGE O=C(COc1ccc(-c2ccccc2)cc1Br)NN=Cc1cccc2ccccc12 1772754176 DITFXWYGONMQGX-UHFFFAOYSA-N 459.343 5.798 50 10 JKGE CCCc1nn(-c2ccc(OC)cc2)c2c1[C@@H](c1ccc(Cl)c(Cl)c1)C(C#N)=C(N)O2 1865685425 IYUDNXZAEVPICQ-FQEVSTJZSA-N 455.345 5.358 50 10 JKGE CCc1ccc(-c2ccc(C(=O)NNC(=O)CC(c3ccccc3)c3ccccc3)c(C)n2)cc1 1865758830 UCCVVJXSJTVRHR-UHFFFAOYSA-N 463.581 5.603 50 10 JKGE O=C(CCCSc1ccccc1)N/N=C/c1cn(CCOc2ccc(Cl)cc2)c2ccccc12 1865761827 WXXYWAYHENFHFI-VUTHCHCSSA-N 492.044 6.396 50 10 JKGE COc1ccc(Cl)cc1/C(O)=C(\C#N)c1nc(-c2cc(Cl)c(OC)c(Cl)c2)cs1 1872755910 LOCYLACVWGPAQA-AQTBWJFISA-N 467.761 6.737 50 10 JKGE CCOc1ccc(/C=C/C(O)=C(\C#N)c2nc(-c3cc(C(C)(C)C)ccc3C)cs2)cc1OC 1872756190 TYMRPMJWJIYWLT-UOPCGYQESA-N 474.626 7.329 50 10 JKGE COc1cc(-c2csc(/C(C#N)=C(\O)COc3cccc(C)c3C)n2)c(OC)cc1Cl 1872756438 JYUQXJYLSHXYGU-MNDPQUGUSA-N 456.951 5.969 50 10 JKGE COc1ccc(Cl)cc1-c1csc(/C(C#N)=C(O)/C=C/c2cc(OC)c(OC)c(OC)c2)n1 1872758517 DYKBTMFRBYYQIO-SWCJLUBCSA-N 484.961 6.004 50 10 JKGE COc1ccc(-c2csc(/C(C#N)=C(\O)c3ccc(OCC(C)C)cc3)n2)c(OC)c1OC 1872759084 DGHYVNUYPSAYPX-QOCHGBHMSA-N 466.559 5.821 50 10 JKGE N#C/C(=C\c1cc(Br)ccc1O)c1nc(-c2ccc(-c3ccccc3)cc2)cs1 1872782724 RDKKOWUFDLLNJQ-UDWIEESQSA-N 459.368 7.009 50 10 JKGE CCCCCOc1ccc(/C=C(\C#N)c2nc(-c3cccc(Br)c3)cs2)cc1OCC 1872784672 UUJHBSRUBBCBCW-DEDYPNTBSA-N 497.458 7.604 50 10 JKGE CCCOc1ccc(-c2csc(/C(C#N)=C(\O)Cc3ccc(OC)c(OC)c3)n2)cc1OCCC 1872818308 WNXNVSYPJYJPAV-XDOYNYLZSA-N 494.613 6.440 50 10 JKGE COC(=O)c1ccccc1N1C[C@H](/C(O)=C(\C#N)c2nc(-c3ccc4ccccc4c3)cs2)CC1=O 1873940663 BSHGFKMIEREYAH-NTKFOSSBSA-N 495.560 5.596 50 10 JKGE CC(C)(C)c1ccc(OCCC/C(O)=C(\C#N)c2nc(-c3ccc4ccccc4c3)cs2)cc1 1873940778 GYTLAYDSZNLSFE-RFBIWTDZSA-N 468.622 7.913 50 10 JKGE Brc1cc(Br)c([C@H](Br)[C@]23CCCC[C@H]2OCC3)s1 1922895739 YRHSAMNMYNKLLD-ICCXJUOJSA-N 459.041 6.058 50 10 JKGE C[C@@H]1C[C@H]([C@H](Br)c2c(Br)sc(Br)c2Br)CO1 1924580391 RJQLMZVZSINGFO-ZDLURKLDSA-N 497.872 5.897 50 10 JKGE COCCOc1ccc([C@H](Br)c2csnc2Br)cc1Br 1925255395 YKAXPYDASOVLEU-LBPRGKRZSA-N 486.023 5.178 50 10 JKGE CN(CCN(Cc1ccccc1)c1ccc(CBr)cc1Cl)Cc1ccccc1 1931965427 MVTHXCRBXWYDMJ-UHFFFAOYSA-N 457.843 6.374 50 10 JKGE Cc1cc(Br)c([C@@H](Br)Cc2ccccc2I)s1 1940445777 SAFYVWZCAWFSOX-NSHDSACASA-N 486.010 6.102 50 10 JKGE Brc1ccc([C@H](Br)c2csc(Br)c2)c(Br)c1 1994136262 XTJLGLOJRKGCAY-LLVKDONJSA-N 489.852 6.520 50 10 JKGE COc1ccc(NC(=O)COc2ccc(C=C(C#N)C(=O)c3c(C)[nH]c4ccccc34)cc2OC)cc1 2040447123 OHVIXHCDLLTVEB-UHFFFAOYSA-N 495.535 5.301 50 10 JKGE C[C@H](Br)[C@@H](NCc1cccc(Br)c1Br)C(F)(F)F 2074716837 OZJBFEHXILWTEJ-QUBYGPBYSA-N 453.922 5.016 50 10 JKGE COc1cc(C)c([C@H](Br)c2csnc2Br)cc1Br 2077999131 LIJCZLSJRBCTKG-NSHDSACASA-N 455.997 5.469 50 10 JKGE Fc1cc(Cl)c([C@H](Cl)c2cc(Br)c(Br)s2)cc1Cl 2083776527 WUPWELULLKDBQS-JTQLQIEISA-N 453.385 7.047 50 10 JKGE Cc1cscc1CC(CBr)(CBr)c1ccccc1Br 2088893830 SHUFKRJMNHOSQB-UHFFFAOYSA-N 467.064 6.089 50 10 JKGE Cl[C@@H](c1cc(C2CC2)c(Br)s1)c1ccc(Br)cc1Br 2094673521 MBBZPHROMOOZDN-CYBMUJFWSA-N 485.466 7.241 50 10 JKGE ClCc1nc2cc(Cl)c(Br)cc2n1Cc1nccn1Cc1ccccc1 2112690951 MCDNSMZEUQDDPO-UHFFFAOYSA-N 450.167 5.484 50 10 JKGE CCOc1ccc(Br)cc1[C@@H](Br)c1cc(Br)c(Cl)s1 2115942963 QOCIGSLEFZEZQN-GFCCVEGCSA-N 489.454 6.810 50 10 JKGE BrCCC1(NCc2cc(Br)ccc2Br)CCCCC1 2118522400 OMRZIQJFRFXUHL-UHFFFAOYSA-N 454.044 5.789 50 10 JKGE C[C@H](C1CC1)N(Cc1ccccc1)S(=O)(=O)c1cc(Cl)cc(CBr)c1F 2123268002 JSAMDGYVLMQVKR-CYBMUJFWSA-N 460.796 5.363 50 10 JKGE Fc1cscc1CC(CBr)(CBr)c1ccc(Br)cc1 2125521258 XXYXCQWHDIZYBP-UHFFFAOYSA-N 471.027 5.920 50 10 JKGE COc1cc(F)c([C@H](Br)c2cccc(Br)c2Br)c(F)c1 2148750656 NBLUYGISVSEIIW-CQSZACIVSA-N 470.933 5.983 50 10 JKGE C[C@@H]1CCCN(C(=O)c2c(Br)cccc2Br)[C@H]1CCBr 2150495237 WDGYAYCPPRFVGY-MFKMUULPSA-N 468.027 5.237 50 10 JKGE CN(c1cc(CBr)sc1[N+](=O)[O-])[C@@H]1C[C@@H]2CC[C@H](C1)N2Cc1ccccc1 2151242403 YFKBJGSJXRFQFD-FVQHAEBGSA-N 450.402 5.183 50 10 JKGE Cc1cc2sc([C@H](Cl)c3cc(Br)c(C)cc3Br)cc2s1 2156565392 SDQNQYIYMCBTBI-OAHLLOKOSA-N 450.648 7.433 50 10 JKGE Cc1cc(Br)c(C)c([C@@H](Br)C23CCC(CC2)OC3)c1Br 2201074074 PVPUYJYSECFYIS-YWCUFVOSSA-N 467.039 6.224 50 10 JKGE Cc1cc(Br)c(C)c([C@H](Br)[C@@H]2CCCCC23CC3)c1Br 2201075764 DEXQMGDWPUBXTK-BLLLJJGKSA-N 465.067 7.235 50 10 JKGE Cc1cc(Br)c(C)c([C@H](Br)[C@@H]2[C@H]3CCCCC[C@H]32)c1Br 2201077251 IZJAVKDTOVWQQO-NENTXLIVSA-N 465.067 7.091 50 10 JKGE CC(C)N(C)C[C@@H](Cl)Cc1sc(Br)c(Br)c1Br 2216417125 DOVKXOJWBGJBLN-ZETCQYMHSA-N 468.480 5.526 50 10 JKGE Cc1cc(Br)c(C)c([C@H](Br)[C@]2(Cl)CC2(C)C)c1Br 2222047981 OFVVIHFFJYBHJG-GXTWGEPZSA-N 459.447 6.672 50 10 JKGE Fc1ccc(Br)c([C@H](Cl)c2cc(Br)c(Br)cc2F)c1 2225635765 XJTQXNAWCROIRY-ZDUSSCGKSA-N 475.352 6.581 50 10 JKGE ClCc1nc2cc(Br)c(Br)cc2n1CC1CC(Br)C1 2225700947 NNOQFCTYFIJZAT-UHFFFAOYSA-N 471.418 5.474 50 10 JKGE Cc1cc(Br)c([C@@H](Br)c2sc(Br)c(C)c2C)cc1Cl 2225845990 BXFJKLLCKZGXGC-GFCCVEGCSA-N 487.482 7.336 50 10 JKGE Cc1cc(Br)c([C@@H](Br)C2CC(C3CC3)C2)c(C)c1Br 2227358789 AWJKSZVXIUMNFK-PPUFBPAQSA-N 451.040 6.701 50 10 JKGE FC(F)C1CC([C@H](Br)c2c(Br)cc(Cl)c(Cl)c2Cl)C1 2232343654 LJDMQBQDBZJIKK-UDSLYJHRSA-N 457.367 7.137 50 10 JKGE Cc1cc(Br)c([C@H](Cl)c2cccc(Br)c2Cl)c(C)c1Cl 2232528387 HOANMHJDEJHTOR-OAHLLOKOSA-N 457.420 7.463 50 10 JKGE CCOCc1cc(Br)c([C@H](Br)c2ccc(F)cc2Br)s1 2233023639 SHXYWTUTCSPXPD-CYBMUJFWSA-N 487.026 6.433 50 10 JKGE CCOCc1cc(Br)c([C@@H](Cl)c2cc(Cl)cc(Br)c2)s1 2233036130 SECVUAGHDIYJMM-ZDUSSCGKSA-N 459.030 6.791 50 10 JKGE Cc1cc(Br)c([C@@H](Br)C23CCC(F)(CC2)C3)c(C)c1Br 2235601328 VMDANZUAUKUHPX-QQFBHYJXSA-N 469.030 6.937 50 10 JKGE Cc1cc(Br)c([C@H](Br)C(C)(C)[C@@H]2CCCO2)c(C)c1Br 2235616238 ZSRHHFTWCOSVAV-WFASDCNBSA-N 469.055 6.470 50 10 JKGE COc1cc(Br)c([C@H](Br)c2ccc(F)cc2Br)cc1C 2236015050 YXAVQTLOZKESSY-OAHLLOKOSA-N 466.970 6.152 50 10 JKGE Brc1ccc(Br)c([C@@H](Br)c2ccc([C@@H]3CCOC3)s2)c1 2240447526 FWDUIRSQYXRBMA-RFAUZJTJSA-N 481.047 6.261 50 10 JKGE BrC[C@@H]1C[C@@H]2CCCC[C@H]2N1Cc1cccc(Br)c1Br 2240672361 BLHACMWPCKSCCF-CORIIIEPSA-N 466.055 5.740 50 10 JKGE Brc1cc(Br)cc(C[C@@H](Br)c2ccoc2Br)c1 2252834565 KAMSDXRCXIDKQC-LLVKDONJSA-N 487.811 6.246 50 10 JKGE Cc1c(Br)sc([C@H](Br)[C@@]23CCCC[C@@H]2CC3)c1Br 2260513493 UTLPWMMBVPTMAA-LJWDBELGSA-N 457.069 6.988 50 10 JKGE Cc1nc(C)c([C@@H](Br)Cc2cc(Br)cc(Br)c2)s1 2263519628 UQEPRAMUBARWEZ-LBPRGKRZSA-N 454.025 5.964 50 10 JKGE C[C@@H]1CCCC[C@@H]1[C@H](Br)c1c(F)cc(Br)c(F)c1Br 2272854020 CRJASKSHJPXUMG-LWINAJNOSA-N 460.982 6.752 50 10 JKGE Fc1ccc(Br)c([C@H](Cl)Cc2cc(Br)cc(Br)c2)c1 2277963684 XFGHKTXTOWEHAQ-CQSZACIVSA-N 471.389 6.636 50 10 JKGE Cc1cc([C@H](Cl)c2c(Br)cc(C)c(F)c2C)ccc1I 2279155825 CNUSSYHRZKFIHT-HNNXBMFYSA-N 467.547 6.446 50 10 JKGE Cc1cc(I)ccc1-n1c(CCl)nc2cccc(Br)c21 2283577756 COOURBHAQRLOSQ-UHFFFAOYSA-N 461.528 5.440 50 10 JKGE Fc1cc(Br)c(F)c(Br)c1[C@H](Br)[C@@H]1CC2(CCC2)CO1 2288351521 CJRYJRJSOOMSRN-GXSJLCMTSA-N 474.965 5.885 50 10 JKGE N#CC(=Cc1ccc(OCc2ccc(Cl)c(Cl)c2)c(Cl)c1)C(=O)NCc1ccco1 2293606198 HYPFXSJDORNYQX-UHFFFAOYSA-N 461.732 6.042 50 10 JKGE CCOc1cc(C=C(C#N)C(=O)Nc2ccc(F)cc2)ccc1OCc1ccc(Cl)c(Cl)c1 2294168632 WUAHFIFWUMRVJH-UHFFFAOYSA-N 485.342 6.656 50 10 JKGE Cc1cccn2c(=O)c(C=C(C#N)C(=O)NCc3ccccc3)c(Oc3ccc(C(C)(C)C)cc3)nc12 2296719320 BZJFWYJBCHQDTI-UHFFFAOYSA-N 492.579 5.316 50 10 JKGE N#CC(=Cc1ccc(-c2ccc(Cl)cc2)o1)C(=O)Nc1ncc(Cc2ccccc2Cl)s1 2296819012 KTHXVUMWIUSWRR-UHFFFAOYSA-N 480.376 6.846 50 10 JKGE CCOc1cc(C=C(C#N)C(=O)Nc2ccc(F)cc2)ccc1OCc1ccccc1Cl 2313540883 ZTSYDPZUXDEDER-UHFFFAOYSA-N 450.897 6.002 50 10 JKGE CCOC(=O)c1c(-n2c(C)cc(C=C(C#N)C(=O)Nc3ccc(C)cc3)c2C)sc(C)c1C 2313567175 CPWOBBRSACPSJZ-UHFFFAOYSA-N 461.587 5.803 50 10 JKGE CC(F)(F)C1([C@@H](Br)c2ccc(OCc3ccccc3)cc2Br)CCC1 2314446958 WNMYJXKOAAZUFL-SFHVURJKSA-N 474.183 7.290 50 10 JKGE Cc1ccc(-c2csc(C(C#N)=C(O)c3ccc(-c4cccc(C(F)(F)F)c4)o3)n2)cc1 2314457235 BEGVGSFQSHSMME-UHFFFAOYSA-N 452.457 7.347 50 10 JKGE Cc1c(Cl)sc(Cl)c1[C@@H](Cl)c1cc(Cl)ccc1I 2314510771 DTMYZGCJGRJKME-JTQLQIEISA-N 451.971 6.950 50 10 JKGE CCOc1cccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)C=Cc4ccc(C)cc4)ccc32)c1 2314634839 SMMKSSAOOBGZCI-HHHXNRCGSA-N 452.510 5.231 50 10 JKGE COc1cc(C=C(C#N)C(=O)NCc2ccccc2)ccc1OC(=O)COc1ccccc1C(C)C 2314736968 DWZVDVLFJYMZBK-UHFFFAOYSA-N 484.552 5.026 50 10 JKGE Cc1cc([C@H](Cl)c2sc(Cl)cc2I)cc(C)c1Br 2316598877 IXLOPCYRBKMTCA-LBPRGKRZSA-N 476.004 6.714 50 10 JKGE CC[C@H](NC=C(C#N)C(=O)N[C@H](CC)c1ccc2c(c1)CCCC2)c1ccc2c(c1)CCCC2 2325079368 HDNBQYVFMLDCJF-URLMMPGGSA-N 455.646 6.160 50 10 JKGE CC[C@@]1(C)[C@H](Br)CCN1Cc1ccc(I)c(Br)c1 2325214229 NRVYWJDIEABQGN-KGLIPLIRSA-N 487.017 5.192 50 10 JKGE COc1cc(OC)c(OC)cc1C=C1Oc2cc(OCc3cccc(CCl)c3)ccc2C1=O 2325358391 PKDKASHBMCQOLR-UHFFFAOYSA-N 466.917 5.646 50 10 JKGE BrCc1cc(Br)c(OC[C@H]2C[C@@H]3CC[C@H]2O3)c(Br)c1 2329970968 SJTXUPLUTCFYFD-GBIKHYSHSA-N 454.984 5.053 50 10 JKGE C[C@@H](Oc1ccc(Cl)cc1Cl)C(O)=C(C#N)c1nc(-c2ccc([N+](=O)[O-])cc2)cs1 2331281523 KTFVGFNGJHKKKT-LLVKDONJSA-N 462.314 6.285 50 10 JKGE CCCOc1ccc(-c2csc(C(C#N)=C(O)C34CC5CC(CC(C5)C3)C4)n2)cc1OCCC 2331293666 NFQLWZPDTUNKTO-UHFFFAOYSA-N 478.658 7.397 50 10 JKGE COc1ccc(C(C)(C)C)cc1-c1csc(C(C#N)=C(O)CN2C(=O)c3ccccc3C2=O)n1 2331349490 XQMKRCMZDPVJRT-UHFFFAOYSA-N 473.554 5.205 50 10 JKGE COc1c(C)cc(C)cc1-c1csc(C(C#N)=C(O)[C@@H]2CC(=O)N([C@H](C)c3ccccc3)C2)n1 2331373285 VLDFTJBMZYRZIN-UYAOXDASSA-N 473.598 5.838 50 10 JKGE CCOc1ccc(OCC)c(-c2csc(C(C#N)=C(O)c3c(Cl)ccc(Cl)c3Cl)n2)c1 2331376814 ZGDSUMINEWJTMM-UHFFFAOYSA-N 495.815 7.518 50 10 JKGE Cc1ccc(C(C)(C)C)cc1-c1csc(C(C#N)=C(O)c2ccc(Cl)cc2[N+](=O)[O-])n1 2331396950 QQXSUPNQEFMWRU-UHFFFAOYSA-N 453.951 6.928 50 10 JKGE COc1c(Cl)ccc(Cl)c1C(O)=C(C#N)c1nc(-c2ccc(OC)c3ccccc23)cs1 2331408205 HXHIJQXORWRWGV-UHFFFAOYSA-N 483.376 7.237 50 10 JKGE COc1cccc(C=C(C#N)c2nc(-c3ccc4ccccc4c3)cs2)c1OCc1cccc(C)c1 2331416604 LVXDZWGQWAREAH-UHFFFAOYSA-N 488.612 7.924 50 10 JKGE FC(F)(F)CC1([C@@H](Br)c2cc(Br)ccc2OCc2ccccc2)CCC1 2336078053 NMUOIXVGJPCHMH-SFHVURJKSA-N 492.173 7.587 50 10 JKGE Cn1nc(Br)c([C@H](Cl)c2c(Cl)cc(Br)c(F)c2Br)n1 2337096359 GYGRAFGCBOLEFH-SSDOTTSWSA-N 496.787 5.223 50 10 JKGE Cc1cc([C@H](Br)c2c(Cl)cc(Br)c(F)c2Br)c(C)o1 2337114557 RNKGWLFWLMWQHR-NSHDSACASA-N 475.377 6.698 50 10 JKGE Fc1cc(CBr)cc(OCc2ccc(Cl)c(I)c2)c1 2337271735 ZZRXYWNORSYDLM-UHFFFAOYSA-N 455.492 5.558 50 10 JKGE COc1cc(Cl)c(CBr)c(Oc2ccc(I)cc2)c1 2340240174 MUEBTVKWIHWWHF-UHFFFAOYSA-N 453.501 5.640 50 10 JKGE C[C@H](c1ccncc1F)[C@@H](Cl)c1ccc(Br)cc1I 2344710043 GYWRNZKSQOPBCL-XLKFXECMSA-N 454.508 5.671 50 10 JKGE Cc1cc(Br)c(F)c(Br)c1[C@@H](Br)[C@H]1O[C@H]2CC[C@H]1C2 2352553888 OKXANCQQCHQPRK-BNUHHUEWSA-N 456.975 5.663 50 10 JKGE C[C@H](Br)C[C@H]1CCCCCN1Cc1ccc(Cl)c(I)c1 2362376734 XZHWOMZLYAMLJB-GXTWGEPZSA-N 470.620 5.863 50 10 JKGE C[C@]12C[C@H](C1)[C@@H]([C@H](Br)c1c(F)cc(Br)c(F)c1Br)CO2 2362921358 FQHXWZWMGVYKHA-AXOKYAICSA-N 474.965 5.741 50 10 JKGE FC(F)(F)[C@]12C[C@]([C@@H](Cl)c3ccc(OCc4ccccc4)cc3Br)(CO1)C2 2363839019 PPRACASOLMXVLM-FHWLQOOXSA-N 461.705 6.420 50 10 JKGE COc1ccc(C[C@@H](Br)c2sc(C)c(Br)c2C)c(Br)c1 2364187913 GHLMYVUQTQLFKI-CYBMUJFWSA-N 483.063 6.577 50 10 JKGE Cc1cc(C)cc([C@H](Br)c2c(C)cc(Br)c(F)c2Br)c1 2365214699 CTXDXTXMLSXDES-AWEZNQCLSA-N 464.998 6.760 50 10 JKGE Cc1cccc(C[C@@H](Br)c2c(C)cc(Br)c(F)c2Br)c1 2365214950 FTWAUCMIBHAJSY-GFCCVEGCSA-N 464.998 6.646 50 10 JKGE COc1c(Br)cc(C)c([C@@H](Br)c2ccc(Cl)cc2)c1Br 2365229956 GBPMUKVVVYFSNP-ZDUSSCGKSA-N 483.425 6.666 50 10 JKGE COc1cc(F)c(Br)cc1[C@@H](Cl)c1ccc(Cl)cc1I 2365598108 NVBVOYIARBASMQ-AWEZNQCLSA-N 489.937 6.183 50 10 JKGE Clc1cc(Cl)cc(CC[C@H](Cl)c2cccc(Br)c2Br)c1 2366895675 JIHKAHPCMQCXEK-AWEZNQCLSA-N 457.420 7.431 50 10 JKGE Oc1ccc(SSc2ccc(O)c(/C=N/Cc3ccccc3)c2)cc1/C=N/Cc1ccccc1 15223871 SGJGOMUKWFATOO-CZYCKNNWSA-N 484.646 7.135 50 10 JKGE CN(C)c1ccc(/C=N/NC(=O)c2ccc3c(c2)CN(c2cccc(C(F)(F)F)c2)C3)cc1 33350009 BQZIBRRITWQEKV-IPPBACCNSA-N 452.480 5.056 50 10 JKGE CC/C(=C(\c1ccccc1)c1ccc(OCCOC(=O)N(CCCl)N=O)cc1)c1ccccc1 33650013 MVRABSBYMCPHBM-QPLCGJKRSA-N 478.976 6.793 50 10 JKGE CCCCOc1ccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)COc4ccc(CC)cc4)ccc32)cc1 38650862 YCLHBXQCJVHXIT-LJAQVGFWSA-N 498.579 5.630 50 10 JKGE CCCCOc1ccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4ccccc4OCC)ccc32)cc1 38650873 ZVPPAMTWKDUFTB-HHHXNRCGSA-N 484.552 5.702 50 10 JKGE Cc1cccc(OCC(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@@H]3c2ccccc2Cl)c1C 38651067 VFUXVAFVQCPKPN-RUZDIDTESA-N 460.917 5.159 50 10 JKGE C=CCOc1ccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4ccc(OCC)cc4)ccc32)cc1 38658097 FAJSYVNJEYSGKR-AREMUKBSSA-N 468.509 5.087 50 10 JKGE CCCOc1cccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)[C@H](C)Oc4ccc(CC)cc4)ccc32)c1 38684490 ZJSFIQUJQAACCH-VKGTZQKMSA-N 498.579 5.629 50 10 JKGE Cc1ccc(Cl)cc1NC(=O)/C(C#N)=C/c1cccc(OCc2ccc(Br)cc2)c1 59297171 HFGIZVPLOSXPFL-YBFXNURJSA-N 481.777 6.536 50 10 JKGE CC1(C)[C@@H](Br)C[C@@H]1Oc1c(I)cc(Cl)c2cccnc12 97646905 JNMYGPOWQVDCGK-RYUDHWBXSA-N 466.544 5.434 50 10 JKGE Fc1cc(Br)c(Cl)cc1[C@@H](Br)c1ccc(Br)cc1 97895979 LSXBSDIUDMUSBG-ZDUSSCGKSA-N 457.362 6.488 50 10 JKGE CC1=C(C#N)C(=O)N(Cc2ccco2)C(=O)/C1=C/c1ccc(OCc2ccc(Cl)cc2)cc1 101336868 NMUUVFYJMZVVST-YDZHTSKRSA-N 458.901 5.304 50 10 JKGE Cc1ccccc1P(N[C@H]1CCCC[C@@H]1NC(=O)NCc1ccccc1)c1ccccc1C 106805017 WOQUTUYXZNXIBU-DQEYMECFSA-N 459.574 5.051 50 10 JKGE Fc1ccc(C[C@@H](CBr)c2cccc(Br)c2)c(Br)c1 118661202 CYDQSPYNDJRKQJ-LBPRGKRZSA-N 450.971 6.072 50 10 JKGE BrCC(CBr)(CC[C@H]1CCCO1)c1cccc(Br)c1 118671859 SDCIEMHPVDCXPW-CQSZACIVSA-N 455.028 5.436 50 10 JKGE Fc1ccc(C[C@@H](Br)c2cc(Br)sc2Br)cc1F 122884216 RZYGCGNEJKIDFC-MRVPVSSYSA-N 460.963 6.230 50 10 JKGE COc1cc([C@H](Br)c2cc(Br)ccc2F)c(OC)cc1Br 134301074 INAVXOMRMNLPHZ-OAHLLOKOSA-N 482.969 5.852 50 10 JKGE N#C/C(=C/Nc1ccccc1Sc1ccccc1)C(=O)Nc1ccccc1Sc1ccccc1 217243508 VMZWMRIXZDBLPS-MRCUWXFGSA-N 479.630 7.447 50 10 JKGE CC(C)(C)[Si](C)(C)OC[C@]1(C)CCc2c(C(=O)O)nn(COCC[Si](C)(C)C)c2C1 219267052 FZWJSSNVSVIWFJ-JOCHJYFZSA-N 454.760 5.410 50 10 JKGE Fc1ccc(Br)c(F)c1COc1ccc(Br)cc1CBr 230316377 HZYOFPRSICPRHP-UHFFFAOYSA-N 470.933 5.964 50 10 JKGE CC(C)(C)[C@H](CCBr)NC(=O)c1cc(Br)c(Br)s1 231161634 VYMATZDVAFVMIG-VIFPVBQESA-N 462.045 5.203 50 10 JKGE Fc1cccc(Br)c1-n1c(CCl)nc2cc(I)ccc21 232134259 SGEOAWQEFUGAQE-UHFFFAOYSA-N 465.491 5.271 50 10 JKGE Brc1ccc(I)c([C@@H](Br)Cc2ccccn2)c1 232475501 LXOSOWDZQOMHKX-LBPRGKRZSA-N 466.942 5.127 50 10 JKGE COc1cc(Br)c(Oc2c(F)cccc2CBr)cc1Br 234915079 IMVYURDAZSLEBM-UHFFFAOYSA-N 468.942 6.047 50 10 JKGE COc1cc(Br)c([C@H](Br)c2ccoc2Br)cc1OC 234931661 YUQBMWKQNDDIPT-GFCCVEGCSA-N 454.940 5.306 50 10 JKGE Clc1ccc(Br)cc1Oc1ccc(CBr)cc1Br 236035773 IYRKPKJAJOQHCK-UHFFFAOYSA-N 455.371 6.552 50 10 JKGE COc1cc(C=NNC(=O)COc2ccc(Cl)cc2)ccc1OCc1c(Cl)cccc1Cl 252604827 GDWKEJFWTJNJFZ-UHFFFAOYSA-N 493.774 5.764 50 10 JKGE CCCCC(C)=NNC(=O)CNc1c(Br)cc(Br)cc1Br 252623108 OKKNIRQJDOLVHP-UHFFFAOYSA-N 484.030 5.068 50 10 JKGE CN([C@@H]1CCCC[C@H]1Br)S(=O)(=O)c1c(Cl)cc(Br)cc1Cl 252922900 JBRPUIKZHSJKHW-BXKDBHETSA-N 480.049 5.083 50 10 JKGE CC[C@@H](Cl)C(=O)O[C@H]1CC[C@@]2(C)C(=CC[C@H]3[C@H]2CC[C@]2(C)[C@H]([C@@H](C)CCCC(C)C)CC[C@H]32)C1 253530053 AYVNXDFYJLGZKZ-HHTXZZSTSA-N 491.200 8.957 50 10 JKGE biogenic O=C(Cc1cccc2ccccc12)NN=Cc1cccc(OC(=O)c2ccccc2Br)c1 254734984 NEVFCJKRFBOULG-UHFFFAOYSA-N 487.353 5.514 50 10 JKGE CC(=NNC(=O)CSc1nnc(-c2ccccc2)n1-c1ccc(C)cc1)c1ccc(F)cc1 254870347 VMHSIWPNJVFGNP-UHFFFAOYSA-N 459.550 5.014 50 10 JKGE C[C@@H](CN(C)Cc1ccccc1)n1c(CCCl)nc2cc(I)ccc21 310970399 DEAFIXZYNCFBTO-HNNXBMFYSA-N 467.782 5.115 50 10 JKGE ClCc1nc2cc(I)ccc2n1C[C@@H]1CCCN(Cc2ccccc2)C1 311787277 LRIDVAQAXHCADL-QGZVFWFLSA-N 479.793 5.292 50 10 JKGE Clc1ccc(Cl)c([C@@H](Br)c2cc(I)cc3c2OCC3)c1 312400502 VBVNXANKHADJFF-CQSZACIVSA-N 483.958 6.017 50 10 JKGE Fc1ccc(COc2cccc(CBr)c2Br)cc1Br 315797963 DAFUAERPUKWISD-UHFFFAOYSA-N 452.943 5.825 50 10 JKGE ClCc1nc2cc(I)ccc2n1C[C@@H]1CCCCN1Cc1ccccc1 379589514 RFPZGGGSQMZBBB-SFHVURJKSA-N 479.793 5.434 50 10 JKGE FC(F)(F)c1csc([C@@H](Br)c2cc3sccc3s2)c1Br 380226269 KGFGBDNCVBIPOE-JTQLQIEISA-N 462.175 7.290 50 10 JKGE C[C@@H](Cl)c1nc2c(Br)cccc2n1-c1cccc(I)c1 380545714 OBNQBPJTFMWBHO-SECBINFHSA-N 461.528 5.692 50 10 JKGE CC(C)(C)[Si](C)(C)OCc1cccc([C@H]2CCc3ccccc3N2S(=O)(=O)c2ccccc2)c1 616596356 XCRIYPCFRHWELT-HHHXNRCGSA-N 493.745 7.091 50 10 JKGE CC(C)(C)OC(=O)NCCN1CCCCC[C@@H]1c1ccccc1CCO[Si](C)(C)C(C)(C)C 616605153 HRHVIITWCPUUQT-XMMPIXPASA-N 476.778 6.693 50 10 JKGE CN(C(=O)OC(C)(C)C)c1ccc([C@@H]2COCCCN2CCO[Si](C)(C)C(C)(C)C)cc1 616644512 DZGSADGDUVFPIA-QFIPXVFZSA-N 464.723 5.843 50 10 JKGE C[C@H](Cl)c1nc2ccc(F)c(Br)c2n1[C@H]1CCN(Cc2ccccc2)[C@@H]1C 689773283 GAHSEYQGVGWISV-IYOUNJFTSA-N 450.783 6.073 50 10 JKGE C[C@@H](Cl)c1nc2cccc(Br)c2n1-c1ccccc1I 697740739 LQQBYWKAVYLNHO-SECBINFHSA-N 461.528 5.692 50 10 JKGE COc1c(C)cc([C@H](Br)c2scc(Br)c2Br)cc1C 707838667 UOYSFKPZQCIHTQ-NSHDSACASA-N 469.036 6.383 50 10 JKGE BrCc1cc(Br)cc(Br)c1OC[C@@H]1C[C@@H]2CCC[C@@H]2O1 720798461 YBDIXEOULGFSKM-WFBYXXMGSA-N 469.011 5.443 50 10 JKGE ClCCc1nc2cc(I)ccc2n1CC[C@@H]1CCN(Cc2ccccc2)C1 723938581 LNACPPWFVSQWPM-SFHVURJKSA-N 493.820 5.334 50 10 JKGE CCOc1ccc(C(=O)NN=Cc2cn(Cc3ccc(Cl)c(Cl)c3)c3ccccc23)cc1 1083910160 NJRSGDILBPYEAA-UHFFFAOYSA-N 466.368 6.159 50 10 JKGE Cc1cc(C=NNC(=O)CSC2c3ccccc3-c3ccccc32)c(C)n1-c1cccc(Cl)c1 1084029994 BVGIWOUFZDTTMR-UHFFFAOYSA-N 486.040 6.701 50 10 JKGE COc1ccc(NCCCC(=O)NN=Cc2ccccc2OCc2ccc(Br)cc2)cc1 1084104771 ZQZXWVKVMISYJD-UHFFFAOYSA-N 496.405 5.379 50 10 JKGE CCOc1ccc(C(=O)NN=Cc2cc(Cl)ccc2OCc2ccc(Cl)c(Cl)c2)cc1 1084334391 XXPKLPNRONHBDX-UHFFFAOYSA-N 477.775 6.388 50 10 JKGE C#CCOc1cc(Br)c(/C=C(\C#N)C(=O)Nc2cccc(Cl)c2Cl)cc1OCC 1084457427 MPVTWAXQKUKSSM-NTEUORMPSA-N 494.172 5.712 50 10 JKGE Cc1c(C(=O)Nc2ccccc2Br)oc2c1C(=NNC(=O)c1ccc(F)cc1)CCC2 1772745324 WRFMDNOLMCWDFU-UHFFFAOYSA-N 484.325 5.212 50 10 JKGE CSc1ccc2c(c1)N(CC[C@H]1CCCCN1C(=O)O[C@H](C)Cl)c1ccccc1S2 1848437283 DNTNLZCGUXXZRG-IAGOWNOFSA-N 463.068 6.977 50 10 JKGE CCOc1cc([C@@H]2C(C#N)=C(N)Oc3c2c(-c2ccccc2)nn3Cc2ccccc2Cl)ccc1O 1865681645 SGYONAVTMOSXQV-XMMPIXPASA-N 498.970 5.574 50 10 JKGE COc1ccc(-n2nc(-c3ccccc3)c3c2OC(N)=C(C#N)[C@@H]3c2cccc(Br)c2)cc1 1865683439 DQYGRHBQLLXHSR-QFIPXVFZSA-N 499.368 5.529 50 10 JKGE COc1ccc(-c2nn(Cc3cccc(F)c3)c3c2[C@H](c2ccc(C(C)C)cc2)C(C#N)=C(N)O3)cc1 1865686050 QCSYMBWIAOJHCT-AREMUKBSSA-N 494.570 6.088 50 10 JKGE CCCOc1ccc([C@H]2C(C#N)=C(N)Oc3c2c(C)nn3Cc2cccc(Cl)c2)cc1OCC 1865688364 QLAFNYXLPRJWMD-DEOSSOPVSA-N 478.980 5.299 50 10 JKGE CCOc1ccc([C@@H]2C(C#N)=C(N)Oc3c2c(C(F)(F)F)nn3Cc2cc(C)ccc2C)cc1 1865692423 BIXGAJNJJFXPBX-HXUWFJFHSA-N 468.479 5.184 50 10 JKGE CCc1nn(-c2cccc3ccccc23)c2c1[C@@H](c1cc(Br)ccc1O)C(C#N)=C(N)O2 1865697023 UOCPNFAUTZGLPR-QFIPXVFZSA-N 487.357 5.274 50 10 JKGE COc1ccc(-c2nn(Cc3cc(C)ccc3C)c3c2[C@@H](c2cccc(C)c2)C(C#N)=C(N)O3)cc1 1865710881 KOQVSQNGGYSXDA-SANMLTNESA-N 476.580 5.750 50 10 JKGE CSCC[C@@H](NC(=O)CCCc1cccc(Cl)c1)C(=O)Nc1ccc(SC#N)cc1 1867126182 PAPXEVSAMBNOJF-HXUWFJFHSA-N 462.040 5.112 50 10 JKGE CC(C)c1nc(Nc2ccc(SC#N)cc2)cc(N2CCN(C(=O)c3cc4ccccc4[nH]3)CC2)n1 1868231642 NCCJHWCTJFULII-UHFFFAOYSA-N 497.628 5.360 50 10 JKGE Cc1ccc(-c2csc(/C(C#N)=C(\O)Cc3ccc(OCc4ccccc4)cc3)n2)c(C)c1 1872748955 URIIFQZEWLTKDZ-RFBIWTDZSA-N 452.579 7.041 50 10 JKGE CC[C@@H](C)[C@H](/C(O)=C(\C#N)c1nc(-c2cc(C)ccc2C)cs1)N1C(=O)c2ccccc2C1=O 1872749682 CDVPCISNMMLCEQ-SFEBSOCUSA-N 471.582 5.931 50 10 JKGE CCOc1ccc(-c2csc(/C(C#N)=C(\O)c3c(Cl)ccc(Cl)c3OC)n2)c(OCC)c1 1872755503 QUYHTHAXPNWCTN-QNGOZBTKSA-N 491.396 6.873 50 10 JKGE COc1ccc(-c2csc(/C(C#N)=C(O)/C=C/c3ccc(C(C)(C)C)cc3)n2)cc1Cl 1872757861 ZKNYYJFIUFFHDM-GOFAIBPGSA-N 450.991 7.276 50 10 JKGE COc1ccc(OC)c(/C=C/C(O)=C(\C#N)c2nc(-c3ccc(OC)c(OC)c3OC)cs2)c1 1872759260 IOVTZLAJRGYJIL-CRZNAYNCSA-N 480.542 5.359 50 10 JKGE CCOc1cc(/C=C(\C#N)c2nc(-c3ccc(C(C)(C)C)cc3)cs2)ccc1OCc1ccccc1 1872792102 FABBBDINQZJPFN-KOEQRZSOSA-N 494.660 8.149 50 10 JKGE COc1ccc(OC)c(-c2csc(/C(C#N)=C(\O)Cc3ccc(Br)cc3)n2)c1 1873921076 TWCRSGDJOPIUPF-ZPHPHTNESA-N 457.349 5.625 50 10 JKGE COc1cc([C@@H](Br)c2sc(C)c(Br)c2C)ccc1Br 1876918214 CVZQLTCTRQVFSN-CYBMUJFWSA-N 469.036 6.383 50 10 JKGE C[C@@H]1OCC[C@@H]1[C@H](Br)c1c(Br)sc(Br)c1Br 1894271272 UGLGQDDOVAKJRD-VPLCAKHXSA-N 497.872 5.897 50 10 JKGE Brc1ccc([C@@H](CI)OCCCOCc2ccccc2)cc1 1910509871 PXNYHGXSSRNLRE-GOSISDBHSA-N 475.164 5.549 50 10 JKGE C[C@H]1CN(Cc2ccccc2)C[C@H]1n1c(CCCl)nc2c(Br)cc(F)cc21 1912692198 DZUJNXOMUOQEOA-IFXJQAMLSA-N 450.783 5.412 50 10 JKGE Cc1c(Br)sc([C@H](Cl)c2c(Br)cnn2C)c1Br 1922880521 DXDTZNWSFFQVFY-SSDOTTSWSA-N 463.420 5.406 50 10 JKGE Cc1ccc(C[C@H](Br)c2c(Br)sc(Br)c2Cl)cc1C 1923068667 VETGBMZHTPTTFS-JTQLQIEISA-N 487.482 7.222 50 10 JKGE Fc1cc(Br)cc(F)c1[C@@H](Br)Cc1ccncc1Br 1924057407 VGAUGAYZFXTTNN-VIFPVBQESA-N 455.922 5.564 50 10 JKGE CCn1ncc(Br)c1[C@@H](Br)[C@@H](C)c1ccncc1Br 1924065921 ACVYCWNPRDKFMI-UFBFGSQYSA-N 451.988 5.063 50 10 JKGE Clc1ccc([C@H](Cl)c2c(Br)sc(Br)c2Br)s1 1924580403 RMQCLCAUPJYQTA-ZETCQYMHSA-N 485.875 7.079 50 10 JKGE Fc1cc(Br)ccc1[C@@H](Br)c1c(Cl)sc(Cl)c1Cl 1925586605 BAUWXVVQIRYBDN-MRVPVSSYSA-N 453.385 7.094 50 10 JKGE C[C@H]1COc2ccc([C@@H](Br)c3c(Br)cccc3Br)cc21 1925685445 GUQLVKKFBBHIDZ-XXFAHNHDSA-N 460.991 6.192 50 10 JKGE Brc1ccc(Br)c([C@@H]2CCC[C@H](CI)O2)c1 1935889471 RTFZDYFBPVZCIB-SKDRFNHKSA-N 459.947 5.257 50 10 JKGE CC(C)(C)OC(=O)NCCSSCCNCc1ccc(Br)cc1Cl 2010825402 KMVOIAHIAYZOPK-UHFFFAOYSA-N 455.871 5.098 50 10 JKGE BrCc1ccc(N2C[C@@H]3[C@H](CCN3Cc3ccccc3)C2)c(Br)c1 2015069197 SHRFJKMYVBYWDS-YLJYHZDGSA-N 450.218 5.055 50 10 JKGE CC(C)Cc1ccc([C@@H](Br)c2csc(Br)c2Br)s1 2032958504 FNJBLIAKHQKLBA-NSHDSACASA-N 473.093 7.017 50 10 JKGE Cc1cc(Br)c([C@@H](Br)c2scc(Cl)c2Cl)cc1Br 2035094351 UULFUKUTOXGDEX-SNVBAGLBSA-N 493.873 7.373 50 10 JKGE Cc1cc(Br)c([C@@H](Br)c2cc(Cl)n(C)n2)cc1Br 2036323896 LDQRMBOYQJXQLX-GFCCVEGCSA-N 457.391 5.391 50 10 JKGE Cc1cc(C=C(C#N)C(=O)Nc2ccccc2)c(C)n1-c1ccc(I)cc1 2042446035 NPTOTHNLLWDQQT-UHFFFAOYSA-N 467.310 5.244 50 10 JKGE C[C@]1(C(F)(F)F)C[C@@H]1[C@@H](Br)c1cc(Br)ccc1Br 2043563334 XNQWXGPKNGRMFB-MIMYLULJSA-N 450.918 6.236 50 10 JKGE Cc1cc(Br)c([C@H](Cl)c2cn(C)nc2Br)cc1Br 2052972127 SCCOQMQBNKYVEB-NSHDSACASA-N 457.391 5.344 50 10 JKGE Cc1cc(Br)c(CBr)c(N(Cc2ccccc2)[C@H](C)c2cccs2)c1 2053220494 ZHHMPCJEZGOFCZ-MRXNPFEDSA-N 479.281 7.482 50 10 JKGE Cn1cnc2sc([C@@H](Br)c3sc(Br)cc3Br)cc21 2054802708 VTVDIDHDULEAOT-SECBINFHSA-N 471.037 5.706 50 10 JKGE Fc1cc(-n2nc(CBr)c(Br)c2C(F)(F)F)c(F)c(F)c1F 2079232609 AHBGPEVNCYBTHK-UHFFFAOYSA-N 455.953 5.105 50 10 JKGE Cc1cc(Cl)c(Br)cc1[C@@H](Br)c1nn(C)cc1Br 2082382775 RFOPHQPSWXTHKT-LLVKDONJSA-N 457.391 5.391 50 10 JKGE CCc1ccc([C@@H](Br)c2ccc(Br)cc2I)cc1 2086149032 JFUDYXRDPZUTRN-OAHLLOKOSA-N 479.981 6.100 50 10 JKGE BrCc1cc(Br)ccc1N1CC[C@@H]2CCN(Cc3ccccc3)C[C@@H]2C1 2092523651 JPHYRXZWLLPCBF-AZUAARDMSA-N 478.272 5.692 50 10 JKGE O=C(Nc1ccc(CCBr)cc1)c1csc(Br)c1Br 2093944199 GILDXEZBDVPEIW-UHFFFAOYSA-N 468.008 5.463 50 10 JKGE CN(Cc1csc(Br)c1)c1c(CBr)ccc(Br)c1Cl 2098116159 HATZPHYXZVVJKK-UHFFFAOYSA-N 488.470 6.458 50 10 JKGE CN(C[C@H](Br)C1CCCC1)C(=O)c1scc(Br)c1Br 2111357706 CAQGNWZEIQGYHM-VIFPVBQESA-N 474.056 5.299 50 10 JKGE Cc1cc(Br)c([C@H](Br)C2C[C@@H]3CCC[C@H]3C2)cc1Br 2127046115 WAFWAPHILALUDD-XMZIXOGTSA-N 451.040 6.782 50 10 JKGE COc1c(Cl)cc(Br)cc1[C@H](Cl)c1ccccc1I 2138255160 YREHJRHMFZFUCX-CYBMUJFWSA-N 471.947 6.044 50 10 JKGE Cc1c(Br)ccc([C@H](Br)[C@@H]2CC[C@H]3C[C@H]2CO3)c1Br 2138861493 GYBIHXCRVVGWAC-KIGUWFBYSA-N 453.012 5.771 50 10 JKGE Fc1ccc(OCc2ccc(I)c(Cl)c2)c(CBr)c1 2142947961 WYDDMAPHBRKJSE-UHFFFAOYSA-N 455.492 5.558 50 10 JKGE Clc1cc(CNC2(CCBr)CCSCC2)ccc1I 2142950365 QSAMBRYPCYYWNE-UHFFFAOYSA-N 474.633 5.085 50 10 JKGE Fc1cc(F)c(F)c([C@@H](Br)Cc2ccccc2I)c1F 2143868171 LPYNSKIQLPKERY-QMMMGPOBSA-N 459.018 5.526 50 10 JKGE CC[C@H]1CN(CC2(CBr)CCCCCC2)[C@H](CC)CN1C(=O)OCc1ccccc1 2162987636 OBTQEFMMODUTTR-PKTZIBPZSA-N 479.503 6.234 50 10 JKGE C[C@@H](Cl)c1nc2cc(Cl)c(Br)cc2n1-c1csnc1Br 2169014960 GCSWWVVSGVEGNM-RXMQYKEDSA-N 455.990 5.960 50 10 JKGE FC(F)(F)c1cc(Br)cc([C@H](Cl)c2cc(Cl)c(Br)s2)c1 2172412218 LIJUDGOYBPPUFA-JTQLQIEISA-N 468.947 7.274 50 10 JKGE CN(c1cc(Br)cc(F)c1CBr)[C@@H]1C[C@@H]2C[C@@H](OCc3ccccc3)C[C@@H]21 2190537158 LURSPPNXVJAWLR-CQSHLORDSA-N 497.246 6.303 50 10 JKGE COc1cc(C)c([C@H](Br)c2ccc(Br)c(C)c2)cc1Br 2198736599 GHJSIAOUKXQBFI-MRXNPFEDSA-N 463.007 6.321 50 10 JKGE COc1c(Cl)cc(Br)cc1[C@H](Br)c1nn(C)c(Cl)c1Cl 2203012724 UXZJWJYNRXGVPH-QMMMGPOBSA-N 463.384 5.636 50 10 JKGE Cc1c(Br)ccc([C@@H](Br)C2C[C@H]3COC[C@H](C2)C3)c1Br 2206761608 SIBMEXLLKZLPBE-MMPTUQATSA-N 467.039 6.019 50 10 JKGE Cc1c(Br)sc([C@H](Br)[C@@H]2OC[C@H]3CCC[C@H]32)c1Br 2218094369 ZNVDUOLCVBARTK-YJFSRANCSA-N 459.041 5.833 50 10 JKGE CC1(C)CCC[C@H]([C@@H](Cl)c2c(Br)sc(Br)c2Br)O1 2219703897 VCKRIOPHDHTRJB-HZGVNTEJSA-N 481.475 6.663 50 10 JKGE COC[C@@H]1CC[C@@H](c2sc(Br)c(Br)c2Br)C[C@@H]1Cl 2222476007 WVZZVVZAZKWKSP-CSMHCCOUSA-N 481.475 6.173 50 10 JKGE FC(F)(F)c1cnc(N(Cc2ccccc2)[C@@H](CBr)C2CC2)c(Br)c1 2224025315 GSSDIYBFOVDYEK-INIZCTEOSA-N 478.150 6.043 50 10 JKGE CCOC1CC([C@@H](Br)c2c(Br)cc(Cl)c(Cl)c2Cl)C1 2224318060 SXFUEAAMABPFLV-UAAUVXIDSA-N 451.413 6.660 50 10 JKGE Cc1ccc([C@@H](Br)c2cc(Br)c(Br)cc2F)cc1F 2225616037 MPBHZONNGQKSTF-CQSZACIVSA-N 454.934 6.283 50 10 JKGE Cc1cc(Br)c([C@H](Cl)c2cc(Cl)sc2Cl)c(C)c1Br 2227347965 LEHGHPPJILVHHS-GFCCVEGCSA-N 463.449 7.525 50 10 JKGE Cc1cc(Br)c([C@H](Br)C(C)(C)CC(F)F)c(C)c1Br 2227356619 RVNYSCIXVDRURL-ZDUSSCGKSA-N 462.998 6.946 50 10 JKGE CCc1sc(Br)cc1[C@H](Br)c1cc(C)c(Br)c(C)c1 2227421817 OQICYZZZUJDPQY-OAHLLOKOSA-N 467.064 6.937 50 10 JKGE CCc1cc(Br)c([C@@H](Br)c2ccc(OC)cc2Br)s1 2232076819 NRDRUVUIIBRIFW-ZDUSSCGKSA-N 469.036 6.328 50 10 JKGE Clc1cc(Br)c([C@@H](Br)C2CC(CC3CC3)C2)c(Cl)c1Cl 2232510244 GPGSVIGDKYSWDT-RPTIHFLNSA-N 461.452 7.672 50 10 JKGE Cc1cc(Br)c([C@H](Br)c2cccc(F)c2Cl)c(C)c1Br 2235603866 LAGHHHUCAPWMRZ-CQSZACIVSA-N 485.416 7.105 50 10 JKGE Clc1c(Br)sc(Br)c1[C@@H](Cl)c1cocc1Br 2244207163 DARYFZZLMMHLMK-LURJTMIESA-N 469.807 6.610 50 10 JKGE Fc1cc(Br)c(F)c(Br)c1[C@@H](Cl)c1cc(Br)co1 2260001531 NDUCDAOMGUPGIX-JTQLQIEISA-N 465.313 6.174 50 10 JKGE CCc1ccsc1[C@H](Br)Cc1cc(Br)cc(Br)c1 2263514500 CIMSTVULCASAJQ-CYBMUJFWSA-N 453.037 6.514 50 10 JKGE CC(C)(C)OC(=O)N1CCC[C@](CI)(OC[C@H]2CC(F)(F)C23CCC3)C1 2266111970 LDTACFPCVQOAJP-RHSMWYFYSA-N 485.353 5.033 50 10 JKGE Clc1ccc(C[C@H](Br)c2ccc(Cl)c(I)c2)cc1Cl 2268318291 VQBUUJFIEVQKEV-JTQLQIEISA-N 490.393 6.930 50 10 JKGE COc1cc(C)c(Br)c(C)c1[C@@H](Br)c1sccc1Br 2269620593 KNBTWSNKBVUPMZ-CYBMUJFWSA-N 469.036 6.383 50 10 JKGE Cc1cc(F)c(Br)cc1[C@H](Cl)c1sc(Br)c(C)c1Br 2270433030 DCABJEYFDCZWID-NSHDSACASA-N 491.445 7.120 50 10 JKGE Cc1cc(Br)c([C@@H](Cl)c2cc(F)c(Br)cc2F)cc1Br 2282135437 FFECUSNXDZRIPC-CQSZACIVSA-N 489.379 6.889 50 10 JKGE O=C(N[C@@H](CBr)C1CCCCC1)c1ccc(Cl)c(I)c1 2283651377 GKJQHKVBEPKQMK-AWEZNQCLSA-N 470.576 5.018 50 10 JKGE COc1cc(C)c([C@@H](Br)c2csc(Br)c2Br)c(OC)c1 2287189843 RKPJUUZBCRTXGB-LBPRGKRZSA-N 485.035 6.083 50 10 JKGE Fc1cc(Br)c(F)c(Br)c1[C@H](Br)[C@@H]1C[C@@H]2CCC[C@@H]2C1 2288365987 YHAQTSNLRRRFJC-MRCNFZFLSA-N 472.993 6.752 50 10 JKGE COc1cccc(C=C(C#N)C(=O)Nc2ccccc2C(=O)O)c1OCc1c(F)cccc1Cl 2293403494 ABXOPTHUDYFESO-UHFFFAOYSA-N 480.879 5.311 50 10 JKGE N#CC(=Cc1ccc(-c2cc(C(=O)O)ccc2Cl)o1)C(=O)Nc1cccc(Br)c1 2294168434 KNWWKYUKBVLKBO-UHFFFAOYSA-N 471.694 5.606 50 10 JKGE CCCOc1ccc(-c2nn(-c3ccccc3)cc2C=C(C#N)C(=O)Nc2ccc(C)cc2)cc1 2296728828 YLHRRDSWKWDHBE-UHFFFAOYSA-N 462.553 6.182 50 10 JKGE COc1ccc(-c2csc(C(C#N)=CNc3ccc(S(=O)(=O)Nc4nccs4)cc3)n2)cc1 2296764750 KWTWUKRLBQESIJ-UHFFFAOYSA-N 495.611 5.053 50 10 JKGE Cc1ccc2nc(C(C#N)=Cc3cc(Br)cc(Br)c3OC(C)C)[nH]c2c1 2297319443 RKWFYNZWGUBQDY-UHFFFAOYSA-N 475.184 6.248 50 10 JKGE CCOC(=O)c1c(NC=C(C#N)c2nc(-c3ccc(Cl)cc3)cs2)sc(C(C)=O)c1C 2297465751 JESJULKCIUZMHW-UHFFFAOYSA-N 471.991 6.189 50 10 JKGE N#CC(=Cc1ccccc1OCc1cccc2ccccc12)C(=O)Nc1cccc(Cl)c1Cl 2313570927 JJFHGJFIZFHSLV-UHFFFAOYSA-N 473.359 7.271 50 10 JKGE Cc1ccc(-c2nc(C(C#N)=CC3=Cc4ccccc4O[C@@H]3C)sc2NC(=O)c2ccco2)cc1 2314432585 CWPJMBAQMKNIHU-GOSISDBHSA-N 479.561 6.735 50 10 JKGE C[C@]1([C@H](Br)c2ccc(OCc3ccccc3)cc2Br)CCCC1(F)F 2314440017 LUVRSVWPGKYXAY-RTBURBONSA-N 474.183 7.290 50 10 JKGE CCOC(=O)C(C#N)=Cc1ccc(OC(=O)COc2ccc(-c3ccc(C)cc3)cc2)c(OCC)c1 2314736162 XZWUSBIGSWQRLX-UHFFFAOYSA-N 485.536 5.515 50 10 JKGE Cc1ccc(F)c([C@@H](Br)c2sc(Cl)cc2I)c1F 2316598980 KLTFOHOCGKLVDK-SNVBAGLBSA-N 463.512 6.077 50 10 JKGE O=C(c1cc(F)c(Br)cc1O)N(Cc1ccccc1)C1(CBr)CCC1 2317271498 NQUCLTKVCIEBBI-UHFFFAOYSA-N 471.164 5.254 50 10 JKGE CC(C)(C)OC(=O)N1CCC[C@](CI)(OC[C@H]2CC[C@H]2C(C)(C)C)C1 2320179668 JXQNOZXPFMKXNL-JXXFODFXSA-N 465.416 5.280 50 10 JKGE CCCCCCCCCOc1ccc(C=NNC(=O)c2cc3ccccc3n2C)c(Cl)c1 2323733037 SSMSJXOKMQSISI-UHFFFAOYSA-N 454.014 6.725 50 10 JKGE CCCCc1ccc(N2C[C@H](C(O)=C(C#N)c3nc(-c4cccc([N+](=O)[O-])c4)cs3)CC2=O)cc1 2331232505 CYXZAIQWZRULQY-LJQANCHMSA-N 488.569 5.907 50 10 JKGE COc1ccc(C=CC(O)=C(C#N)c2nc(-c3ccc(Cl)cc3Cl)cs2)c(OC)c1 2331250989 FCJUDVBMVJMCHF-UHFFFAOYSA-N 459.354 6.640 50 10 JKGE Cc1ccc(C)c(-c2csc(C(C#N)=C(O)c3ccc4c(c3)C(=O)N(c3ccc(F)cc3)C4=O)n2)c1 2331319860 UNEPKKGKCVKJKP-UHFFFAOYSA-N 495.535 6.317 50 10 JKGE COc1ccc(C(O)=C(C#N)c2nc(-c3cc(Cl)cc(Cl)c3OC)cs2)cc1OC 2331362507 RVBKCTKWEXLGRN-UHFFFAOYSA-N 463.342 6.093 50 10 JKGE CCOc1ccc(OCC)c(-c2csc(C(C#N)=C(O)c3ccc4nc(C)c(C)nc4c3)n2)c1 2331376669 FOXHTBXZUAWKJM-UHFFFAOYSA-N 472.570 6.117 50 10 JKGE COc1cc(Cl)c(C)cc1-c1csc(C(C#N)=C(O)CCCOc2ccc3ccccc3c2)n1 2331390093 ICGYBGHLBRSRBH-UHFFFAOYSA-N 491.012 7.586 50 10 JKGE CCCCOc1ccc(C=C(C#N)c2nc(-c3ccc(Oc4ccccc4)cc3)cs2)cc1OC 2331464330 ACTHWZASTUHATH-UHFFFAOYSA-N 482.605 7.854 50 10 JKGE CCN(CC)c1ccc(C=C(C#N)c2nc(-c3ccc(Oc4ccccc4)cc3)cs2)cc1 2331464594 WAVKBXKSHHVIMK-UHFFFAOYSA-N 451.595 7.513 50 10 JKGE COc1cc(C)c(-c2csc(C(C#N)=Cc3ccc(OCc4ccccc4)c(OC)c3)n2)cc1C 2331484391 KEXKHYASUQDDQH-UHFFFAOYSA-N 482.605 7.087 50 10 JKGE COc1ccc(Cl)cc1-c1csc(C(C#N)=Cc2cc3c(cc2[N+](=O)[O-])OCCO3)n1 2331491384 BMIZZJOQKLQZSW-UHFFFAOYSA-N 455.879 5.216 50 10 JKGE Cc1cc(Br)c([C@@H](Br)c2c(Br)ncn2C)c(C)c1F 2337318193 XLDCDJQWRSOZSI-SNVBAGLBSA-N 454.963 5.185 50 10 JKGE COc1c(Br)cc(C)c([C@H](Br)[C@@H]2C[C@H]2C(F)F)c1Br 2339656907 SEGJMESDQHOYFZ-BRDIYROLSA-N 462.954 5.866 50 10 JKGE Cc1cc(Br)c(F)c(Br)c1[C@@H](Br)C1C2(CC2)C12CC2 2339680392 WCVPJYKDZDVRIW-LLVKDONJSA-N 452.987 6.285 50 10 JKGE CO[C@]1(C(F)F)C[C@H]([C@H](Br)c2c(Cl)sc(Br)c2Cl)C1 2343012694 SWABGAGMSLWBMD-ZTBPNRJZSA-N 458.977 6.314 50 10 JKGE ClC[C@H](Cc1ccc(I)c(Br)c1)c1cccc(Cl)c1 2349842071 MHYFEFSZIHEMJS-LBPRGKRZSA-N 469.975 6.272 50 10 JKGE Brc1cc(CN2C[C@@H]3CC[C@@H](Br)C[C@H]3C2)ccc1I 2349847803 MSUSIWAIZXSCDQ-RWMBFGLXSA-N 499.028 5.049 50 10 JKGE O=C(c1cc(Br)c(Br)s1)N1CC[C@H](Br)C[C@@H]1C(F)(F)F 2361452211 IMXGJANHYYDCCS-YLWLKBPMSA-N 499.972 5.204 50 10 JKGE Fc1c(Br)cc(Cl)c([C@H](Br)[C@@H]2C[C@@H]2C2CCCC2)c1Br 2362225722 WNFWSABRSDIWFG-JRKPZEMJSA-N 489.448 7.266 50 10 JKGE C[C@@H]1C[C@@H]2C[C@@H]2C[C@@H]1[C@@H](Br)c1c(Cl)cc(Br)c(F)c1Br 2362248415 REPBHGSPNLWORV-ZYCKWHBGSA-N 489.448 7.122 50 10 JKGE Cc1cc(Br)c(F)c(Br)c1[C@H](Cl)c1c(Br)nc(C)n1C 2365176454 PTWJMXNVCKGKCB-JTQLQIEISA-N 489.408 5.792 50 10 JKGE Cc1cc(Br)c(F)c(Br)c1[C@@H](Br)c1c(F)cccc1Cl 2365185650 JTNBTBCAKNXRBF-GFCCVEGCSA-N 489.379 6.936 50 10 JKGE COC[C@]1([C@H](Br)c2c(C)cc(Br)c(F)c2Br)CCCO1 2365221110 PUNBZUQSTIGYJJ-KGLIPLIRSA-N 474.990 5.291 50 10 JKGE COc1cc(Cl)c(CBr)c(N(C)[C@@H]2CC(C)(C)[C@H]2OCc2ccccc2)c1 2365808317 RTYLNLSRLISHKE-RTWAWAEBSA-N 452.820 6.064 50 10 JKGE CCc1cc([C@@H](Br)CCc2cc(Cl)cc(Cl)c2)sc1Br 2366791990 DBSUEOQUYLFSGS-ZDUSSCGKSA-N 457.058 7.449 50 10 JKGE Cl[C@H]1Cc2ccccc2[C@H]1NCc1ccc(I)c(Br)c1 2377313700 DLFSBYLZYBSWKU-GOEBONIOSA-N 462.556 5.048 50 10 JKGE CCOC(=O)Nc1sc(/C(C#N)=C\c2ccc(C(=O)OC)cc2)nc1-c1ccc(Cl)cc1 34262581 BCPHRKLSWNNAGG-ATVHPVEESA-N 467.934 5.883 50 10 JKGE CC(C)(C)c1ccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)Cc4ccc(Cl)cc4)ccc32)cc1 38649883 STNMREYRHVZSNF-SANMLTNESA-N 472.972 6.004 50 10 JKGE CC(C)Oc1ccc(C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@@H]3c2cccc(Cl)c2)cc1 38651201 YJMLWVFSMMXUJI-XMMPIXPASA-N 460.917 5.565 50 10 JKGE N#CC1=C(N)Oc2cc(OC(=O)COc3ccc(Cl)cc3)ccc2[C@H]1c1cccc2ccccc12 38657670 BMOYOVRPMBPWIO-HHHXNRCGSA-N 482.923 5.696 50 10 JKGE Cc1ccc2c(C)c(C(=O)Oc3ccc4c(c3)OC(N)=C(C#N)[C@H]4c3cccc([N+](=O)[O-])c3)oc2c1 38688137 NENQJQBFZXVVRJ-DEOSSOPVSA-N 481.464 5.395 50 10 JKGE Cc1cc(Cl)ccc1Nc1ncnc(NNC(=O)C(c2ccccc2)c2ccccc2)c1[N+](=O)[O-] 40590638 OWNQKAUSDZLIEJ-UHFFFAOYSA-N 488.935 5.365 50 10 JKGE CCCCCCOc1ccc(/C=C(\C#N)C(=O)Oc2ccc(/C=C\C#N)cc2OC)cc1OC 41013043 BWELTRVPLFCNSF-FHALQEEUSA-N 460.530 5.712 50 10 JKGE Cc1c(/C=N/NC(=O)CC[C@@H](O)c2ccccc2)c2ccccc2n1Cc1ccc(Cl)cc1 58888730 QZGKGNPRMMRSCP-MKFKGKHESA-N 459.977 5.615 50 10 JKGE CCn1c(SCCCC(=O)N/N=C/c2cccc(Oc3ccccc3)c2)nc2ccccc21 58987322 HSOQDQJJOKXOEN-ZXVVBBHZSA-N 458.587 5.871 50 10 JKGE O=C(N/N=C/c1ccc(Br)cc1)c1ccccc1OCc1cccc(Br)c1 96095888 UJOHIVFZBLXEBF-ZMOGYAJESA-N 488.179 5.555 50 10 JKGE CCc1ccc(NC(=O)/C(C#N)=C/c2cc(OC)c(O)c(Br)c2Br)cc1 96476298 DUSXPOPSIJDZRN-MDWZMJQESA-N 480.156 5.034 50 10 JKGE COc1cc(/C=C(/C#N)C(=O)Nc2ccc(C)c(C)c2)ccc1OC(=O)c1ccc(Cl)cc1Cl 98063457 LNFCRPRLWQUBNV-WQRHYEAKSA-N 495.362 6.384 50 10 JKGE CC1=C(C#N)C(=O)N([C@@H](C)c2ccccc2)C(=O)/C1=C/c1ccc(OCc2ccccc2Cl)cc1 101337938 QEOPEVDNKDVHJN-KXWHUPIZSA-N 482.967 6.272 50 10 JKGE CC1=C(C#N)C(=O)N(Cc2ccccc2Cl)C(=O)/C1=C/c1ccc(-c2ccccc2[N+](=O)[O-])o1 101340842 XCQXPYPDLZLXCX-XDHOZWIPSA-N 473.872 5.301 50 10 JKGE Fc1cc(Br)cc(F)c1[C@H](Br)Cc1cccc(Br)c1 122355169 CERHAYWUNAUEMI-LLVKDONJSA-N 454.934 6.169 50 10 JKGE Cc1nc(CC(CBr)(CBr)c2ccccc2Br)sc1C 124372521 GIGQOPULHXEWKR-UHFFFAOYSA-N 482.079 5.793 50 10 JKGE COc1cc(Br)c([C@@H](Cl)c2cc(Br)ccc2Br)cc1OC 161068949 WOXOGOLTENDENR-HNNXBMFYSA-N 499.424 6.320 50 10 JKGE COc1cc(Br)ccc1[C@H](Br)c1cc(Br)c(C)s1 227832889 KSHDCEWLVFKJLZ-ZDUSSCGKSA-N 455.009 6.074 50 10 JKGE COCCc1ccc([C@H](Br)c2cc(Br)cc(Br)c2)cc1 234701646 LGHIVLXDEVDNJQ-INIZCTEOSA-N 463.007 5.885 50 10 JKGE Cc1cc(F)cc(C)c1[C@@H](Br)c1cc(Br)sc1Br 235760321 JMXKZVUXIZSBJE-LBPRGKRZSA-N 457.000 6.513 50 10 JKGE Cc1ccc(-n2c(C)cc(C=NNC(=O)c3cc(-c4ccccc4)nc4ccccc34)c2C)cc1 254396598 SPNJYNIUWRCGLJ-UHFFFAOYSA-N 458.565 6.382 50 10 JKGE C=CCOc1ccc(C(=O)NN=Cc2c(OCc3ccc(F)cc3)ccc3ccccc23)cc1 254520949 WIGLRQYZVIIRSP-UHFFFAOYSA-N 454.501 5.887 50 10 JKGE CC(C)c1ccc([C@H](Br)c2sccc2I)c(C(C)C)c1 312320677 GIGKLRLUWHCVFT-INIZCTEOSA-N 463.222 7.084 50 10 JKGE O=C(OCc1ccccc1)N1C[C@H](c2cc(F)ccc2Br)[C@@H](CBr)C1 382694888 SZZFLUMDLPZSGO-YOEHRIQHSA-N 471.164 5.335 50 10 JKGE Fc1cc(F)c(F)c([C@H](Br)c2cc(Cl)ccc2I)c1F 395956770 BEHLWFOJLDUBIG-LLVKDONJSA-N 479.436 5.985 50 10 JKGE Cl[C@H](c1cscc1Br)c1cc(I)cc2c1OCC2 404711221 MSYYXVYMPPQYSC-LBPRGKRZSA-N 455.542 5.378 50 10 JKGE N#CSc1ccc(NC(=O)c2cccc(NC(=O)N3CCN(c4ccc(F)cc4)CC3)c2)cc1 586664121 DXONCKZHOPDHFG-UHFFFAOYSA-N 475.549 5.005 50 10 JKGE ClCCCCCc1cn(-c2c(Br)cc(Br)cc2Br)nn1 686285342 RJMFWPPRRCHDKV-UHFFFAOYSA-N 486.433 5.506 50 10 JKGE Cc1nc(C)c(CC(CBr)(CBr)c2ccc(Br)cc2)s1 692040037 CPSARGJMCISVTP-UHFFFAOYSA-N 482.079 5.793 50 10 JKGE CC1(C)C[C@H](Br)C[C@H](NC(=O)c2ccc(Br)cc2Br)C1 693892260 KBOXQDMBOQBVQM-MNOVXSKESA-N 468.027 5.284 50 10 JKGE COc1cc(F)c(Br)cc1[C@@H](Br)c1ncsc1Br 698646874 CNSFXPIEDFLIHM-SECBINFHSA-N 459.960 5.300 50 10 JKGE COc1ccc(NC(=O)/C(C#N)=C\c2ccc(-c3ccc(Br)c(C)c3C)o2)cc1 1084339137 QTWBFTBNHLXIME-VBKFSLOCSA-N 451.320 5.880 50 10 JKGE CCc1ccccc1NC(=O)C(=O)NN=Cc1ccc(OCc2ccc(Cl)cc2Cl)cc1 1084344447 DEHNXLJFUJIZOG-UHFFFAOYSA-N 470.356 5.224 50 10 JKGE CC(=NNC(=O)CSC1c2ccccc2-c2ccccc21)c1ccc(I)cc1 1084606874 DUGBTSFLJMBTPP-UHFFFAOYSA-N 498.389 5.635 50 10 JKGE CCOP(=O)(OCC)/C(C#N)=C\[C@H]1[C@H](C(=O)OCc2cc3c(cc2Cl)OCO3)C1(C)C 1614949349 GJXYBBNLDJLWJR-CFPIAIKNSA-N 469.858 5.058 50 10 JKGE COc1cccc(NC(=O)c2oc3c(c2C)C(=NNC(=O)c2ccccc2Br)CCC3)c1 1772744155 QYDWTNISYLJCLQ-UHFFFAOYSA-N 496.361 5.082 50 10 JKGE Cc1c(C(=O)Nc2cccc3ccccc23)oc2c1C(=NNC(=O)c1ccccc1Cl)CCC2 1772744302 UOAUSZGNFOTLGN-UHFFFAOYSA-N 471.944 6.117 50 10 JKGE Cc1ccccc1COc1cccc(C=NNC(=O)CSc2nc(-c3ccccc3)cs2)c1 1772755075 KSAZRGYQXLGEPJ-UHFFFAOYSA-N 473.623 5.940 50 10 JKGE COc1ccc(OC)c(C=NNC(=O)CCCOc2ccc(C(C)(C)C)cc2Br)c1 1772755356 CKEQXCHUDBZRRZ-UHFFFAOYSA-N 477.399 5.073 50 10 JKGE Cc1cc(CO[Si](c2ccccc2)(c2ccccc2)C(C)(C)C)cc(C)c1Br 1857784363 OVXKCDRYMKYYRD-UHFFFAOYSA-N 453.496 6.143 50 10 JKGE COc1ccc(-c2nn(-c3ccc(Cl)cc3)c3c2[C@@H](c2ccc(O)cc2)C(C#N)=C(N)O3)cc1 1865684011 LCCNRJSBIGRDRI-QFIPXVFZSA-N 470.916 5.125 50 10 JKGE CCc1nn(Cc2ccc(Cl)c(Cl)c2)c2c1[C@H](c1ccc(C(C)C)cc1)C(C#N)=C(N)O2 1865685860 NUPCVWWNUZAZAO-JOCHJYFZSA-N 467.400 6.142 50 10 JKGE CCOc1ccc([C@H]2C(C#N)=C(N)Oc3c2c(C)nn3Cc2ccc(Cl)c(Cl)c2)cc1 1865693973 NOFWJTOLUWFRLC-NRFANRHFSA-N 455.345 5.164 50 10 JKGE CCOc1ccc([C@H]2C(C#N)=C(N)Oc3c2c(-c2ccc(OC)cc2)nn3Cc2cccc(F)c2)cc1 1865695005 HQOVAGXUBXMQSG-VWLOTQADSA-N 496.542 5.363 50 10 JKGE Cc1nn(Cc2ccc(Cl)cc2)c2c1[C@H](c1ccc(OC(=O)c3ccccc3)cc1)C(C#N)=C(N)O2 1865704662 BEZAAOBDSUAKIB-RUZDIDTESA-N 496.954 5.331 50 10 JKGE COc1ccc(-c2nn(CC(C)C)c3c2[C@@H](c2ccc(Br)cc2)C(C#N)=C(N)O3)cc1 1865714552 MRTNZHAWMUZUNV-FQEVSTJZSA-N 479.378 5.195 50 10 JKGE CC(C)C[C@@H](C(=O)NC[C@H](C)Cl)N1C(=O)c2c(Cl)c(Cl)c(Cl)c(Cl)c2C1=O 1865899557 LOUIWDMGYJHRHK-YUMQZZPRSA-N 474.599 5.054 50 10 JKGE CN(CC(C)(C)c1ccccc1)c1cc(Nc2ccc(SC#N)cc2)nc(-c2ccccc2)n1 1868364735 FDHZFIZOYNPIJZ-UHFFFAOYSA-N 465.626 6.874 50 10 JKGE CCCc1nc(Nc2ccc(SC#N)cc2)cc(N2CCc3cc4cccc(C)c4nc32)n1 1868388911 OLKQNHAQEQDTFW-UHFFFAOYSA-N 452.587 6.297 50 10 JKGE C[C@@H](c1ccccc1)N1C[C@H](/C(O)=C(\C#N)c2nc(-c3ccc(C(C)(C)C)cc3)cs2)CC1=O 1872751138 SUEIXLZCFBRCKC-UREYJMEMSA-N 471.626 6.510 50 10 JKGE COc1cc(-c2csc(/C(C#N)=C(\O)CCCOc3ccc(Cl)cc3)n2)c(OC)cc1Cl 1872756368 IYXMNBUYALMUDD-JZJYNLBNSA-N 491.396 6.786 50 10 JKGE COc1cc(OC)c(-c2csc(/C(C#N)=C(\O)c3cccc(OC(C)=O)c3)n2)cc1Cl 1872756561 PWFWSVHDARZHQK-PGMHBOJBSA-N 456.907 5.356 50 10 JKGE CCCN(CCC)C(=O)COc1ccc(/C=C(\C#N)c2nc(-c3cccs3)cs2)cc1OC 1872791722 PURQQGGGWHUSSC-CPNJWEJPSA-N 481.643 5.972 50 10 JKGE COc1cc(/C=C(\C#N)c2nc(-c3cc(C)cc(C)c3OC)cs2)ccc1OC(=O)c1ccccc1 1872792827 SQOWGPKHNOKTHD-HYARGMPZSA-N 496.588 6.728 50 10 JKGE Cc1cc(C)c(-c2csc(/C(C#N)=C/c3ccccc3OCc3ccccc3Cl)n2)c(C)c1 1872794343 WIFVPEMVKAAZMZ-OEAKJJBVSA-N 471.025 8.032 50 10 JKGE CCCOc1ccc(-c2csc(/C(C#N)=C(\O)c3ccc(Cl)s3)n2)cc1OCCC 1872818059 LBUQLGVEYFRZHL-QNGOZBTKSA-N 461.008 7.052 50 10 JKGE COc1ccc([C@H](CNC(=O)/C(C#N)=C/c2ccccc2)c2c[nH]c3ccccc23)cc1OC 1873768733 BUPKRBWXMMGQDA-YJADQXIJSA-N 451.526 5.040 50 10 JKGE CCCOc1ccc([C@H](Br)c2cc(C)c(Br)o2)cc1Br 1917613074 RJFPVZUWDYASBC-AWEZNQCLSA-N 466.995 6.386 50 10 JKGE Clc1ccc(C[C@@H](Br)c2cccc(Br)c2Br)nc1 1918194436 PKUVJIDNQGATCP-GFCCVEGCSA-N 454.387 5.939 50 10 JKGE Cc1c(Br)sc([C@@H](Br)c2cc3ccc(F)cc3s2)c1Br 1922887650 WHMXWBKMCHAERG-LBPRGKRZSA-N 499.062 7.420 50 10 JKGE C[C@]1([C@H](Br)c2c(Br)sc(Br)c2Cl)CC1(F)F 1923074479 MXNPAFBJVVNYBB-SVGQVSJJSA-N 459.375 6.408 50 10 JKGE CC(C)C1([C@@H](Br)c2c(Br)sc(Br)c2Br)CC1 1924609050 RJMUNDSORPCOTJ-QMMMGPOBSA-N 495.900 6.908 50 10 JKGE Cc1cccc([C@H](Br)Cc2ncccc2Br)c1I 1924860995 KWDHFOUVEWVXGP-GFCCVEGCSA-N 480.969 5.436 50 10 JKGE C[C@@](CCCC[C@H]1CCSS1)(NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)O 1951708200 IASGEBOFROMRMR-GKVSMKOHSA-N 471.644 6.083 50 10 JKGE CC(C)(C(=O)O)[C@H](CCCC[C@H]1CCSS1)NC(=O)OCC1c2ccccc2-c2ccccc21 1951853237 DPMMTCJKNRHSIH-UUOWRZLLSA-N 499.698 6.719 50 10 JKGE Clc1c(Br)sc(Br)c1[C@@H](Br)[C@H]1C2C[C@@H]3C1[C@@H]3C2 2016553134 RCRKZVNJFWGRKM-VSHUJIODSA-N 461.444 6.265 50 10 JKGE Brc1cc([C@H](Br)c2ccc(CC3CC3)s2)c(Br)s1 2027411006 QAHXDXJACRFPDZ-LBPRGKRZSA-N 471.077 6.771 50 10 JKGE N#CC(=Cc1ccc(-c2cccc(Cl)c2)o1)c1nnc(N2CCOCC2)n1-c1ccccc1 2040448545 ZOPZGSZKCUXHMT-UHFFFAOYSA-N 457.921 5.081 50 10 JKGE Brc1cccc(Br)c1[C@@H](Br)c1cc2sccc2s1 2084765768 YHMXLAVDBUHJDP-ZDUSSCGKSA-N 467.045 6.972 50 10 JKGE COc1ccc(Br)cc1CC(CBr)(CBr)C1CCC1 2089705710 RUMCULNATZPJHB-UHFFFAOYSA-N 455.028 5.577 50 10 JKGE COCc1cc(Br)c([C@@H](Cl)c2c(Br)cccc2Br)s1 2094094346 ASCFHNGSKMDLSB-LBPRGKRZSA-N 489.454 6.510 50 10 JKGE Cc1ccc(Br)cc1[C@H](Br)c1cc(C2CC2)c(Br)s1 2094672569 AHVPAPCNUZMPKJ-AWEZNQCLSA-N 465.048 6.943 50 10 JKGE FC(F)(F)c1csc([C@@H](Br)c2scc(Cl)c2Cl)c1Br 2096220581 HVBZVXOXAMLWMG-ZCFIWIBFSA-N 474.976 7.382 50 10 JKGE Cn1nc([C@@H](Cl)c2cc(Cl)c(Br)cc2F)c(Br)c1Cl 2110729365 YYFJKBKEKQWFGW-VIFPVBQESA-N 451.348 5.719 50 10 JKGE Cc1cc(F)c(C[C@@H](Br)c2ccc(Br)cc2)c(Br)c1 2116782280 NLZAYXSQLRKXEZ-CYBMUJFWSA-N 450.971 6.338 50 10 JKGE CC(C)(C)[C@H]1[C@@H](Br)CCN1Cc1c(Br)cccc1Br 2128674034 BVXWJYCOWCRCEK-UONOGXRCSA-N 454.044 5.596 50 10 JKGE CCCC1CC([C@H](Br)c2c(C)c(Br)cc(C)c2Br)C1 2136375124 SFBICSQPLAOHBL-PPUFBPAQSA-N 453.056 7.091 50 10 JKGE O=C(N[C@@H](CCBr)C1CCCC1)c1c(Br)cccc1Br 2150491303 NCHZHWWFHGRHMJ-ZDUSSCGKSA-N 468.027 5.285 50 10 JKGE CC[C@@H](Br)[C@H]1CCCCN1C(=O)c1cc(Br)ccc1Br 2170612264 HOOPVWKNMPVEKS-TZMCWYRMSA-N 468.027 5.380 50 10 JKGE Brc1cccc([C@H](CI)O[C@H]2COC3(CCCC3)C2)c1 2189461973 LZIRXGNOWRDMOO-CABCVRRESA-N 451.142 5.044 50 10 JKGE Cc1cc(Br)c(C)c([C@H](Br)[C@@H]2CC23CC(F)(F)C3)c1Br 2201071448 FMSWBNNJCMOIEI-TVQRCGJNSA-N 472.993 6.700 50 10 JKGE Cc1cc(Br)c(C)c([C@H](Br)C23COC(CF)(C2)C3)c1Br 2202642121 KONIKKFQTBBDIQ-NFOMZHRRSA-N 471.002 5.783 50 10 JKGE Cc1c(Br)ccc([C@H](Br)c2c(F)cc(F)cc2F)c1Br 2203686304 OREVSSFDDODZDP-AWEZNQCLSA-N 472.924 6.422 50 10 JKGE Cc1ccc([C@H](Cl)c2sc(C)c(Br)c2C)cc1I 2217866812 PBTZAHAJOIQBBD-ZDUSSCGKSA-N 455.586 6.369 50 10 JKGE COCc1cc(Br)c([C@@H](Cl)c2ccc(C)c(I)c2)s1 2224625761 HDVGOMVCORQXTN-ZDUSSCGKSA-N 471.585 5.898 50 10 JKGE CCOCc1cc(Br)c([C@@H](Br)c2cc(Br)sc2C)s1 2224804919 LKGLXKFVBNZBBY-LBPRGKRZSA-N 489.092 6.664 50 10 JKGE Fc1cc(Cl)cc([C@H](Br)c2cc(Br)c(Br)cc2F)c1 2225618873 BKCBEVVXAGFOQV-ZDUSSCGKSA-N 475.352 6.628 50 10 JKGE Cc1ccc(C)c([C@@H](Br)c2c(Br)cc(Cl)c(Cl)c2Cl)c1 2232510773 IJJHMHZZSPTEGS-CYBMUJFWSA-N 457.420 7.510 50 10 JKGE CC1([C@H](Br)c2ccc(Br)cc2Br)CC2(CC(F)(F)C2)C1 2239247810 LGBLWKMROQGLRC-GFCCVEGCSA-N 472.993 6.863 50 10 JKGE Cl[C@H](c1ccc(I)c(Br)c1)c1ccc([C@@H]2CCOC2)s1 2240439096 OJZIOTPHKVQSDD-MEBBXXQBSA-N 483.596 5.947 50 10 JKGE Cl[C@H](Cc1cc(Br)cc(Br)c1)c1ccsc1Br 2252837731 UDNHYDIJWSYXFW-LLVKDONJSA-N 459.428 6.558 50 10 JKGE COc1ccc([C@@H](Cl)c2cccc(I)c2)cc1I 2257367949 FDJSJEIMPRYINV-AWEZNQCLSA-N 484.502 5.233 50 10 JKGE C[C@@H](Br)CN(CC(C)(C)C)c1ncc(I)cc1Br 2259779086 OUCJVLLUPXQLRN-SECBINFHSA-N 490.021 5.085 50 10 JKGE COc1cc(Cl)c([C@@H](Br)c2cscc2OCc2ccccc2)c(OC)c1 2277609055 CMTHIAKENTZDNN-FQEVSTJZSA-N 453.785 6.482 50 10 JKGE FC1(F)CCC([C@@H](Br)Cc2cc(Br)cc(Br)c2)CC1 2277955675 LRQAZTJNDHGZNF-ZDUSSCGKSA-N 460.982 6.343 50 10 JKGE Brc1cc(Br)cc(C[C@@H](Br)[C@@H]2[C@H]3CCCCC[C@H]32)c1 2277956015 ONIIEGCJBIUHHG-QXSJWSMHSA-N 451.040 6.344 50 10 JKGE COc1cc(Cl)c(Cl)cc1[C@@H](Cl)c1ccc(I)c(Cl)c1 2279048859 YHZXWPIHMQTBSM-AWEZNQCLSA-N 461.941 6.588 50 10 JKGE Cc1cc(Br)c([C@@H](Br)C[C@@H]2CCCC23CC3)c(C)c1Br 2281374711 ZKTMHHSBIYDPJC-JSGCOSHPSA-N 465.067 7.235 50 10 JKGE Fc1cccc(Br)c1[C@@H](Cl)c1c(F)cc(Br)c(F)c1Br 2288353404 JIVVCFZHEFMPHZ-GFCCVEGCSA-N 493.342 6.720 50 10 JKGE Fc1cc(Br)c(F)c(Br)c1[C@H](Br)[C@@H]1CC[C@@H]2[C@H]1C2(F)F 2288481095 QMZWLQYYAVXJQN-PENBWZAVSA-N 480.919 6.217 50 10 JKGE Cc1cc(Br)c([C@H](Br)[C@@]23CC[C@@](CF)(C2)OC3)cc1Br 2290467894 XAWACGNZIMQMSN-KKUMJFAQSA-N 471.002 5.865 50 10 JKGE COc1cc(C=C(C#N)C(=O)Nc2cccc(C)c2C)c(Br)cc1OCc1ccccc1 2294619994 ZAVKVCOVJHDXAN-UHFFFAOYSA-N 491.385 6.199 50 10 JKGE FC(F)(F)c1ncc([C@@H](Br)Cc2cc(Br)cc(Br)c2)s1 2295336133 RUBULKKNJNRMNZ-VIFPVBQESA-N 493.968 6.366 50 10 JKGE CCc1cccc(CC)c1NC(SCc1ccc(F)cc1)=C(C#N)S(=O)(=O)c1ccccc1 2297349986 JPMVAFKQGNWSIO-UHFFFAOYSA-N 480.630 6.462 50 10 JKGE COc1cc(C=C(C#N)C(=O)N[C@H]2CCCC[C@@H]2C)ccc1OCc1cccc(C(F)(F)F)c1 2297381620 CVEPLCGGEHYSOL-JTSKRJEESA-N 472.507 5.895 50 10 JKGE CCOc1ccccc1NC(SCc1ccccc1C)=C(C#N)C(=O)NCc1cccs1 2297414531 DGBALNOYNRDJIC-UHFFFAOYSA-N 463.628 5.852 50 10 JKGE N#CC(=Cc1c(Oc2ccc(Cl)cc2)nc2ccccn2c1=O)c1nc2ccccc2s1 2297469372 AWEFFRJHMKVDJQ-UHFFFAOYSA-N 456.914 5.814 50 10 JKGE Brc1ccc(OCc2ccccc2)c([C@H](Br)[C@@H]2CCC[C@H]3C[C@H]32)c1 2299501240 MELPQNRTPVPBTN-NWUWZPLHSA-N 450.214 6.900 50 10 JKGE Cc1ccc([C@H](Br)c2ccc(OCc3ccccc3)cc2Br)cc1C 2314441588 ZZYACRBUCMBJNS-QFIPXVFZSA-N 460.209 7.129 50 10 JKGE CCCCSc1ccc(-c2nn(-c3ccccc3)cc2C=C(C#N)S(=O)(=O)c2ccccc2)cc1 2314478161 HLQVSMFPEKSIHY-UHFFFAOYSA-N 499.661 6.770 50 10 JKGE CCCCOc1cc(C=C(C#N)C(=O)Nc2sc(C)c(C)c2C(=O)OCC)ccc1OC 2314571701 KLWQYMZSSSTJMS-UHFFFAOYSA-N 456.564 5.275 50 10 JKGE CCc1ccc(N2C(=O)[C@@H](Cc3cccc(Cl)c3)SC2=C(C#N)C(=O)Nc2ccccc2)cc1 2314592810 CBFFMRZOGBOSQZ-XMMPIXPASA-N 488.012 5.967 50 10 JKGE CCOc1cc(C=C2C(=O)N([C@@H](C)c3ccccc3)C(=O)C(C#N)=C2C)ccc1OCC(C)C 2314618057 GKNQOWABVCJKFU-FQEVSTJZSA-N 458.558 5.474 50 10 JKGE CC(C)(C)c1ccc(C=CC(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@H]3c2ccccc2Cl)cc1 2314634154 SMBVZQGDYZLANQ-MHZLTWQESA-N 484.983 6.474 50 10 JKGE Cc1ccc(C=CC(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@@H]3c2ccc(C(C)(C)C)cc2)cc1 2314634271 UQZZAKZUJKRDIY-MUUNZHRXSA-N 464.565 6.130 50 10 JKGE CCC(CC)C[C@@H](Br)c1c(Cl)cc(Br)c(F)c1Br 2315442063 OXKPESHBFXNZTF-MRVPVSSYSA-N 465.426 7.266 50 10 JKGE CCCc1sc(Br)cc1[C@H](Br)c1c(Br)ncn1C 2316187243 NPTQHGOKUQLCBH-JTQLQIEISA-N 457.029 5.443 50 10 JKGE COc1c(Br)cc(C)c([C@@H](Br)CC(F)(F)F)c1Br 2317427021 RBWLVFBJVHQMNY-ZETCQYMHSA-N 454.906 5.917 50 10 JKGE Cc1nc(OCc2c(Br)cccc2Br)sc1CBr 2318243033 HPMZSOIQJUWQSD-UHFFFAOYSA-N 455.997 5.450 50 10 JKGE COc1cc2nc(C(C#N)=Cc3cccc(OC)c3OCc3cccc(C)c3)nc(O)c2cc1OC 2331042439 APPVGRPHUYOYIH-UHFFFAOYSA-N 483.524 5.313 50 10 JKGE N#CC(=C(O)COc1ccc(Cl)cc1Cl)c1nc(-c2ccc(Cl)cc2Cl)cs1 2331254725 SRTINNXKDNNYIW-UHFFFAOYSA-N 472.180 7.295 50 10 JKGE CC(C)c1ccc(-c2csc(C(C#N)=C(O)C=Cc3ccc(OCc4ccccc4)cc3)n2)cc1 2331341642 MTGDARXBHLPPAR-UHFFFAOYSA-N 478.617 8.019 50 10 JKGE COc1c(Cl)cc(-c2csc(C(C#N)=C(O)CCc3ccc(Cl)cc3)n2)cc1Cl 2331397984 QHNSXVWRKLXJOH-UHFFFAOYSA-N 465.789 7.204 50 10 JKGE COc1ccc(C(C)(C)C)cc1-c1csc(C(C#N)=Cc2cc(Br)c(O)c(OC)c2)n1 2331461176 SDTHCAIBDGYGLO-UHFFFAOYSA-N 499.430 6.657 50 10 JKGE Brc1cc(OCc2ccccc2)ccc1[C@H](Br)[C@@]12CCCC[C@H]1OCC2 2336054454 RXZRSKCNRIHSIX-BHIFYINESA-N 480.240 6.813 50 10 JKGE CC(C)(C)[C@@H](C[C@@H](Br)c1ccc(OCc2ccccc2)cc1Br)C(F)F 2336079731 VMDLXKLHJCDVCD-PKOBYXMFSA-N 490.226 7.782 50 10 JKGE Cc1c(F)ccc(COC2(CBr)CCN(C(=O)OC(C)(C)C)CC2)c1Cl 2339303678 VSKJYGMHBUQVIL-UHFFFAOYSA-N 450.776 5.469 50 10 JKGE Cc1cc(Br)c(F)c(Br)c1[C@H](Br)c1c(Cl)cnn1C 2339651397 PEQDOEYKSNSENW-JTQLQIEISA-N 475.381 5.530 50 10 JKGE CO[C@@H]1CC[C@@H]1C[C@H](Br)c1c(C)cc(Br)c(F)c1Br 2339655734 GVICORKYMJRDTO-WCABBAIRSA-N 458.991 5.910 50 10 JKGE Clc1ccc(C[C@H](CBr)c2ccccc2Cl)c(I)c1 2341052151 RTKIUSZGBXYSTO-LLVKDONJSA-N 469.975 6.319 50 10 JKGE CC1(C)CCN(Cc2ccc(I)c(Br)c2)C[C@@H]1CCl 2349836745 RLDNPRLLRAFUOU-LBPRGKRZSA-N 456.593 5.141 50 10 JKGE Fc1cc(Br)c(Br)cc1[C@@H](Br)[C@@H]1CC[C@H]2[C@@H](C1)C2(F)F 2358562236 SJRBWZBLZDVHOD-BKYJCOFSSA-N 476.956 6.468 50 10 JKGE COc1ccc([C@@H](Br)[C@H]2[C@@H]3[C@H]2CCCC3(F)F)cc1I 2359457635 UWIGWGUUGUNVNV-GSVCSZOMSA-N 457.096 5.417 50 10 JKGE Fc1c(Br)cc(Cl)c([C@H](Br)[C@@H]2CC[C@H]3C[C@@H]2CO3)c1Br 2362254074 KSKGDQOLWMPRES-BSFVXNEUSA-N 491.420 6.255 50 10 JKGE COc1c(Br)cc(C)c([C@H](Br)C2CCC(C)CC2)c1Br 2365187554 BILQJJJIDJQQHH-PFMWSLTASA-N 469.055 6.791 50 10 JKGE CCCCCc1ccc([C@@H](Br)c2ccc(Cl)cc2I)s1 2365597702 JLEQGAVBWXWFLS-INIZCTEOSA-N 483.640 7.223 50 10 JKGE Clc1ccc(C[C@H]2CCCCCCCC[C@@H]2Br)c(I)c1 2366716912 ZIIVENIBVHYAFH-CJNGLKHVSA-N 469.632 7.001 50 10 JKGE COC(C)(C)C1(CO[C@H](CI)c2cccc(Br)c2)CC1 2369667504 NZIDDIQNVZDUMW-CQSZACIVSA-N 453.158 5.147 50 10 JKGE Cc1ccc(CBr)c(OCc2cccc(Br)c2Cl)c1Br 2380671358 GQCYJLJFLDQCNK-UHFFFAOYSA-N 483.425 6.647 50 10 JKGE Cc1ccc(CN(C(=O)CCl)[C@H](C(=O)NC2CCCCCC2)c2ccc(F)cc2Cl)cc1 3039233 XFOLICKPUMKING-DEOSSOPVSA-N 479.423 5.935 50 10 JKGE CC[C@H](C)c1ccc(OCC(=O)NNC(=O)c2ccc(Cl)cc2Cl)c(Br)c1 14832219 ITYCCUKCBNECAH-NSHDSACASA-N 474.182 5.109 50 10 JKGE N#C/C(=C/c1ccc(OC(=O)COc2ccc(Cl)cc2Cl)cc1)c1ccc(Cl)cc1 31901256 LXZPMFMCLBGXJT-BOPFTXTBSA-N 458.728 6.695 50 10 JKGE N#C/C(=C/c1cc2cc(Br)ccc2nc1Cl)c1nc(-c2ccc(Cl)cc2)cs1 33391354 YSHCFEIEYKAXFN-NVNXTCNLSA-N 487.209 7.492 50 10 JKGE Cc1cccc(OCC(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@H]3c2ccc(C(C)C)cc2)c1C 38649598 LFPZZRNSYNDBHI-NDEPHWFRSA-N 468.553 5.629 50 10 JKGE CCCCC1CCC(C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@@H]3c2cc(OC)ccc2OC)CC1 38688755 QLCFHQZOBNMVAU-BNXSYVIRSA-N 490.600 5.824 50 10 JKGE CCCOc1ccccc1[C@H]1C(C#N)=C(N)Oc2cc(OC(=O)c3ccc(OC)c(Cl)c3)ccc21 38700663 BPFLAKOFULWDPV-RUZDIDTESA-N 490.943 5.575 50 10 JKGE Cc1cccc(Oc2nc3ccccn3c(=O)c2/C=C(\C#N)C(=O)Nc2cccc(C(F)(F)F)c2)c1 39992880 CPGSCUKEQOWISI-GHRIWEEISA-N 490.441 5.360 50 10 JKGE CCc1ccc2oc(C(=O)Oc3ccc4c(c3)OC(N)=C(C#N)[C@H]4c3ccc(C)cc3)c(C)c2c1 40530261 VMJRNJZIRDZBIS-SANMLTNESA-N 464.521 6.049 50 10 JKGE Cc1c(C(=O)NCCc2cccs2)oc2c1/C(=N/NC(=O)c1cccc3ccccc13)CCC2 40813645 YFAISGDJAUADBP-QUPMIFSKSA-N 471.582 5.246 50 10 JKGE O=C(CSc1nc(-c2ccc(Cl)cc2)cs1)N/N=C/c1cc(Br)ccc1O 40924721 DQFNKJQMWVGMIU-ODCIPOBUSA-N 482.812 5.174 50 10 JKGE CCCCOc1ccc(/C=C(\C#N)C(=O)Nc2ccc(C(C)(C)C)cc2Br)cc1 65001367 YUWRVZVYYSSUME-NBVRZTHBSA-N 455.396 6.471 50 10 JKGE Fc1cc(Br)c(Cl)cc1[C@H](Br)c1cccc(Br)c1Cl 97895657 ASIIUZACQIDYBS-GFCCVEGCSA-N 491.807 7.142 50 10 JKGE N#C/C(=C\Nc1cc(Cl)ccc1Cl)c1nc(-c2cc3cc([N+](=O)[O-])ccc3oc2=O)cs1 100480674 SDZMJHOHKUJYSH-FMIVXFBMSA-N 485.308 6.108 50 10 JKGE Brc1ccc(Br)c([C@H](Br)[C@@H]2COc3ccccc3O2)c1 109844515 SJFHHWRRFAYAES-GJZGRUSLSA-N 462.963 5.488 50 10 JKGE O=c1[nH]c2cc(Br)c([C@@H](Br)Cc3ccc(Br)cc3)cc2[nH]1 109884493 XOIDTCMYLRFSSL-NSHDSACASA-N 474.978 5.060 50 10 JKGE Fc1c([C@H](Br)c2cc(Br)c(Br)s2)cccc1C(F)(F)F 128289659 UDCYBIYEGCWWFO-VIFPVBQESA-N 496.943 6.915 50 10 JKGE Cc1ccc([C@@H](Br)c2cc3c(cc2Br)OCCO3)c(Br)c1 161437778 KGBOQCONHQJBFY-MRXNPFEDSA-N 476.990 5.776 50 10 JKGE C[C@H](CCCO)[C@H]1CC[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@@]21C 199858935 YORJZEWEGWVASD-NXUCFJMCSA-N 474.846 8.364 50 10 JKGE Cc1cc(F)c([C@@H](Br)c2cc(Br)sc2Br)cc1F 235920460 BXTFKYKKCRKPHV-LLVKDONJSA-N 460.963 6.344 50 10 JKGE Clc1ccc(I)c([C@H](Br)Cc2ccncc2Cl)c1 236069346 PUQAIAIQSPIZAJ-LLVKDONJSA-N 456.936 5.672 50 10 JKGE C=CCc1cccc(C=NNC(=O)CSc2nnc(-c3ccc(C)cc3)n2-c2ccc(C)cc2)c1O 254293864 PGRRCJCTVDFQTF-UHFFFAOYSA-N 497.624 5.228 50 10 JKGE CCCCCCCCCCOc1ccc(C(=O)NN=Cc2c(C)nn(-c3ccccc3)c2O)cc1 254522892 GQNUSWJDDLNBCE-UHFFFAOYSA-N 476.621 6.170 50 10 JKGE CC(C)(C)c1ccc(C(=O)Oc2cccc(C=NNC(=O)CSc3nc4ccccc4o3)c2)cc1 254578712 HXMNYVVSZBVLQL-UHFFFAOYSA-N 487.581 5.587 50 10 JKGE COc1ccccc1/C=C\C=NNC(=O)CSc1nnc(-c2ccc(C)cc2)n1-c1ccccc1 254759993 OPZJFZATTYBYAA-LOXSMSKDSA-N 483.597 5.159 50 10 JKGE Cc1cc(C)c([C@H](Br)c2cccc(I)c2)c(C)c1Br 305975965 HHSLBWFDKJNIQL-MRXNPFEDSA-N 494.008 6.463 50 10 JKGE C[C@H](Cl)c1nc2cc(I)ccc2n1[C@H](C)[C@H]1CCN(Cc2ccccc2)C1 312489218 JVHCXOHSYRQLHH-JZXOWHBKSA-N 493.820 6.024 50 10 JKGE Cc1cc(CCl)cc(S(=O)(=O)N(Cc2ccccc2)[C@@H](C)C2CC2)c1Br 385332618 TXXNEERRYIWWKF-HNNXBMFYSA-N 456.833 5.486 50 10 JKGE Fc1cc(Br)c([C@H](Br)c2cscc2Br)c(F)c1F 404796399 IDWVCBASZMSUIF-SECBINFHSA-N 464.926 6.175 50 10 JKGE CC(C)(C)OC(=O)N1CCCC[C@@H]1[C@@H]1CCC[C@@]12CCC[C@@H](CI)O2 686242393 OKFXYCMHHAAMDW-LJCCNALRSA-N 463.400 5.319 50 10 JKGE O=C(N[C@@H]1CCCCC[C@H]1Br)c1scc(Br)c1Br 705411487 YGMIAZWZOQCICR-VXNVDRBHSA-N 460.029 5.099 50 10 JKGE Fc1cc(Br)ccc1COc1cccc(Br)c1CBr 706818069 DUWVROAFBKDBMK-UHFFFAOYSA-N 452.943 5.825 50 10 JKGE C[C@@H]1CCN(Cc2ccccc2)C[C@H]1n1c(CCl)nc2cc(F)c(Br)cc21 716302340 TZPPDMWMIRLKPS-JLTOFOAXSA-N 450.783 5.760 50 10 JKGE N#C/C(C(=O)NN=Cc1ccc(-c2ccccc2)cc1)=C1\C[C@H](c2ccccc2)c2ccccc21 725274038 GPTFVRJDPXLHPB-UOKSFDFTSA-N 453.545 6.317 50 10 JKGE CC(=NNC(=O)CCCSc1nnc(CCc2ccccc2)n1-c1ccccc1)c1ccccc1 1084344381 PWFZTGISFVIMCU-UHFFFAOYSA-N 483.641 5.465 50 10 JKGE CCOc1ccc([C@@H](O)CCC(=O)NN=Cc2cc(C)n(-c3cc(Cl)ccc3OC)c2C)cc1 1084613007 JAROZNALEGEESS-DEOSSOPVSA-N 483.996 5.119 50 10 JKGE CCOc1ccc2nc(Sc3ccc(C=NNC(=O)c4ccc(OC)cc4)o3)sc2c1 1084614673 JRKCDAXMMXZYSI-UHFFFAOYSA-N 453.545 5.212 50 10 JKGE Cc1cccc(NC(=O)c2oc3c(c2C)C(=NNC(=O)c2ccccc2Br)CCC3)c1C 1772744624 YUKNHSLJYLZWHS-UHFFFAOYSA-N 494.389 5.690 50 10 JKGE CCCCCCOc1ccc(C=NNC(=O)COc2cc(C)c(Br)cc2C(C)C)cc1 1772753793 JCAOENSADGFXPF-UHFFFAOYSA-N 489.454 6.369 50 10 JKGE N#CSc1ccc(NC(=O)Oc2cccc3c(NC(=O)c4cccc([N+](=O)[O-])c4)cccc23)cc1 1858775830 YSTFMZYCCAFAIZ-UHFFFAOYSA-N 484.493 6.184 50 10 JKGE Cc1ccc(C)c(Cn2nc(C(F)(F)F)c3c2OC(N)=C(C#N)[C@H]3c2cccc(Cl)c2)c1 1865683036 DQFRYVCJQXEHOL-GOSISDBHSA-N 458.871 5.439 50 10 JKGE N#CC1=C(N)Oc2c(c(-c3ccccc3)nn2Cc2ccccc2F)[C@@H]1c1ccccc1Cl 1865684941 BYKLWSPCOVEURS-JOCHJYFZSA-N 456.908 5.609 50 10 JKGE CCc1nn(Cc2ccc(Cl)c(Cl)c2)c2c1[C@@H](c1ccc(C(C)C)cc1)C(C#N)=C(N)O2 1865685861 NUPCVWWNUZAZAO-QFIPXVFZSA-N 467.400 6.142 50 10 JKGE N#CC1=C(N)Oc2c(c(C(F)(F)F)nn2-c2ccc(Cl)cc2)[C@H]1c1ccccc1Cl 1865686733 ZVSODNKBUSYKSS-HNNXBMFYSA-N 451.235 5.416 50 10 JKGE COc1cc([C@@H]2C(C#N)=C(N)Oc3c2c(C)nn3Cc2ccc(C)cc2)ccc1OCc1ccccc1 1865687030 HUTQCJQOCHNABN-MUUNZHRXSA-N 492.579 5.354 50 10 JKGE CCOc1c(OC)cccc1[C@@H]1C(C#N)=C(N)Oc2c1c(-c1ccccc1)nn2-c1ccc(C)cc1 1865692680 HKQGKSIPPFRDLC-XMMPIXPASA-N 478.552 5.473 50 10 JKGE N#CC1=C(N)Oc2c(c(-c3ccccc3)nn2Cc2ccc(Cl)cc2)[C@@H]1c1ccc2c(c1)OCCO2 1865698163 LYUPLDPTTIMNSG-XMMPIXPASA-N 496.954 5.241 50 10 JKGE Cc1ccsc1[C@@H]1C(C#N)=C(N)Oc2c1c(C(F)(F)F)nn2-c1ccc(Cl)c(Cl)c1 1865699664 ZKOUJVUDUJGTMI-CYBMUJFWSA-N 471.291 5.786 50 10 JKGE Cc1nn(-c2ccc(Br)cc2)c2c1[C@@H](c1ccc(C(F)(F)F)cc1)C(C#N)=C(N)O2 1865711065 OWNCNCAXFRYJCO-SFHVURJKSA-N 475.268 5.180 50 10 JKGE CCCC[C@@H](NC(=O)C[C@H](c1ccc(C)c(C)c1)C1CC1)C(=O)Nc1ccc(SC#N)cc1 1866723101 BHGNQEYWDVIWSA-LOSJGSFVSA-N 463.647 6.074 50 10 JKGE COc1ccc2c(c1)c(/C=C1\Oc3c(ccc(OCc4ccc(CCl)cc4)c3C)C1=O)cn2C 1871436791 QDVFGTUBXCBWKP-ZRGSRPPYSA-N 473.956 6.429 50 10 JKGE CCc1ccc(-c2csc(/C(C#N)=C(\O)c3ccc4c(c3)C(=O)N(Cc3ccco3)C4=O)n2)cc1 1872744487 UVMJYVQQAFRLGP-GYHWCHFESA-N 481.533 5.712 50 10 JKGE COc1ccc(-c2csc(/C(C#N)=C(\O)c3ccc(N4CCCC4)c([N+](=O)[O-])c3)n2)cc1C 1872746443 IKRQKNAKMBKITD-NKFKGCMQSA-N 462.531 5.585 50 10 JKGE COc1ccc(C(C)(C)C)cc1-c1csc(/C(C#N)=C(\O)[C@@H]2CC(=O)N(C(C)(C)C)C2)n1 1872751410 GXQUKYQNSBDRIH-VGLIXDPASA-N 453.608 5.556 50 10 JKGE CC(C)c1ccc(-c2csc(/C(C#N)=C(\O)c3ccc4c(c3)C(=O)N(C(C)C)C4=O)n2)cc1 1872752286 VFRPIMPYSZPBLO-LNVKXUELSA-N 457.555 5.888 50 10 JKGE COC(=O)c1ccc(/C=C/C(O)=C(\C#N)c2nc(-c3cc(Cl)cc(Cl)c3OC)cs2)cc1 1872754190 HIBRNSNFPFVBGR-UQIPZTAISA-N 487.364 6.418 50 10 JKGE COc1cc(OC)c(-c2csc(/C(C#N)=C(\O)c3ccc(OC(C)=O)cc3)n2)cc1Cl 1872756140 DYDWKJJMAQPRBO-PGMHBOJBSA-N 456.907 5.356 50 10 JKGE Cc1oc(Br)cc1[C@H](Cl)c1sc(Cl)cc1I 1900919934 QOEJNEXFBWPSSZ-VIFPVBQESA-N 451.938 5.998 50 10 JKGE CC(C)[C@H](CBr)N(Cc1ccccc1)Cc1cc(Cl)ccc1Br 1915258132 UJPNNKRSLMBVEH-IBGZPJMESA-N 459.653 6.524 50 10 JKGE Brc1cc(Br)c([C@H](Br)c2csc3ccccc23)s1 1922945070 CFIHMJCDYOXRAT-GFCCVEGCSA-N 467.045 6.972 50 10 JKGE CC[C@H](CC(F)(F)F)[C@@H](Br)c1c(Br)sc(Br)c1Cl 1923049035 JQNKQCNTXIKVQU-INEUFUBQSA-N 493.408 7.341 50 10 JKGE C[C@H](C[C@H](Br)c1c(Br)sc(Br)c1Cl)C(C)(C)C 1923050041 PLIYVDBTUMWRFJ-RQJHMYQMSA-N 467.492 7.435 50 10 JKGE CCC1([C@@H](Br)c2c(Br)sc(Br)c2Cl)CCCC1 1923071651 KEXWCULYWZJTPW-VIFPVBQESA-N 465.476 7.333 50 10 JKGE Fc1cc(Cl)cc([C@@H](Cl)c2c(Br)sc(Br)c2Br)c1 1924569692 YUGZHJOKGVOULG-SECBINFHSA-N 497.836 7.156 50 10 JKGE CC[C@H](C)[C@H](Br)c1c(Br)sc(Br)c1Br 1924575653 DCVWNWIMSSXMDZ-NJGYIYPDSA-N 469.862 6.518 50 10 JKGE Fc1cccc(Cl)c1[C@H](Cl)c1c(Br)sc(Br)c1Br 1924591621 SNPVUYZTUSNPJQ-VIFPVBQESA-N 497.836 7.156 50 10 JKGE Cl[C@@H](C[C@@H]1CCCOCC1)c1c(Br)sc(Br)c1Br 1924616118 LHHRRYAQCBUZAH-SFYZADRCSA-N 481.475 6.522 50 10 JKGE Clc1sc([C@@H](Cl)c2cccc(Br)c2Br)cc1Br 1943903779 RPIXSQIDSWOASF-JTQLQIEISA-N 479.846 7.017 50 10 JKGE Brc1csc([C@@H](Br)c2cc(Br)ccc2Br)c1 1981401932 QHVRMWWPAPUMQT-NSHDSACASA-N 489.852 6.520 50 10 JKGE CC1(C)CC[C@@H]1[C@H](Cl)c1c(Br)sc(Br)c1Br 1987991007 NOVUORKSIHHHGH-XRGYYRRGSA-N 451.449 6.752 50 10 JKGE C[C@H]1CC[C@H]([C@H](Cl)c2c(Br)sc(Br)c2Br)CC1 2003103239 IDSQAKGVKOORCK-BYULHYEWSA-N 465.476 7.142 50 10 JKGE CCCC1CCC([C@@H](Br)c2sc(Br)cc2Br)CC1 2072700587 NGJPGXFBUGDNEA-SRHKJQAYSA-N 459.085 7.316 50 10 JKGE COc1ccc([C@H](Br)c2ccc(Br)c(C)c2Br)s1 2083330264 MSHLSDLEQVRCFA-CYBMUJFWSA-N 455.009 6.074 50 10 JKGE Fc1cccc(Cl)c1[C@@H](Br)c1ccc(Br)cc1Br 2083336756 DBXJPXFNZPHDJG-ZDUSSCGKSA-N 457.362 6.488 50 10 JKGE Cc1cc(Br)c([C@H](Br)C[C@H]2CCCOCC2)cc1Br 2089238396 YNKCVXQDFFZITO-XHDPSFHLSA-N 455.028 6.163 50 10 JKGE O=C(c1cc(Br)sc1Br)N1CC2(CC[C@@H]1CBr)CC2 2097880876 SWMVDNOPEJSMGK-MRVPVSSYSA-N 472.040 5.053 50 10 JKGE Cc1c(Br)sc([C@H](Br)c2cc(F)c(F)cc2Cl)c1Br 2112343710 CYNIPYIERVQIGT-SNVBAGLBSA-N 495.408 6.997 50 10 JKGE CN(C(=O)c1cc(Br)sc1Br)[C@H]1CCCCC[C@@H]1Br 2115913628 HDWBHASEDODNGH-UWVGGRQHSA-N 474.056 5.441 50 10 JKGE CO[C@H]1C[C@H]([C@@H](Br)c2c(Br)sc(Br)c2Cl)C[C@H]1OC 2118273542 YWCBJHDJPQFQCO-JAGXHNFQSA-N 497.474 5.803 50 10 JKGE Cc1cc(Br)c([C@@H](Br)[C@H]2OCCOC2(C)C)cc1Br 2130230280 CQNALLWGYQNDHV-CHWSQXEVSA-N 457.000 5.150 50 10 JKGE Cc1cc([C@@H](Br)c2c(Br)cc(F)c(Cl)c2F)c(Br)s1 2136964682 RIYNWVDMDDISLV-SECBINFHSA-N 495.408 6.997 50 10 JKGE O=C1Cc2cc([C@H](Cl)c3csc(Br)c3Br)c(Cl)cc2N1 2150342198 RYAFYOITLQGOCK-LBPRGKRZSA-N 455.986 5.749 50 10 JKGE FC1(F)CN(Cc2ccccc2)CCCCN(c2ccc(Br)cc2CCl)C1 2164875471 OTNHIBXPRPIMRP-UHFFFAOYSA-N 457.790 5.926 50 10 JKGE C[C@H](Cl)c1nc2cc(Cl)c(Br)cc2n1[C@H]1C[C@@H](C)N(Cc2ccccc2)C1 2169011193 YHLZHQOJDPKSKR-YCPHGPKFSA-N 467.238 6.588 50 10 JKGE CO[C@H]1C[C@@H]([C@H](Br)c2cc(Br)c(C)cc2Br)C[C@H]1OC 2174891992 KMTDMGRKTNSPSN-FLCCKXIQSA-N 471.027 5.396 50 10 JKGE C[C@H](c1cc(Br)cs1)n1c(CCl)nc2cc(I)ccc21 2177658330 TUMRBRLTQNIXAJ-MRVPVSSYSA-N 481.584 5.813 50 10 JKGE C[C@@H]1C[C@H](C(F)(F)F)N(C[C@H](CBr)CC2CC2)CCN1C(=O)OC(C)(C)C 2178263884 LKDBTCGODZCZTA-VNQPRFMTSA-N 457.375 5.060 50 10 JKGE COc1cc(C)c([C@@H](Br)c2c(Br)sc(C)c2C)cc1Br 2198730767 PJNCIDOGNKCXGA-CQSZACIVSA-N 483.063 6.691 50 10 JKGE Cc1cc(Br)c(C)c([C@@H](Cl)c2c(C)nn(C)c2Br)c1Br 2201073705 QCMIGGKNAFTKEB-CYBMUJFWSA-N 485.445 5.961 50 10 JKGE Cc1cc(Br)c(C)c([C@H](Br)C(F)(F)[C@@H]2CCOC2)c1Br 2201074302 QZZDJPFPOZUMKK-RNCFNFMXSA-N 476.981 5.936 50 10 JKGE COc1ccc(Cl)cc1[C@H](Br)c1ccc(Br)c(C)c1Br 2203683552 HTBQQVFVEMRNJX-OAHLLOKOSA-N 483.425 6.666 50 10 JKGE CC12CC([C@@H](Br)c3ccc(Br)cc3Br)(C1)C1(CCC1)O2 2203694745 USXCJKATEZRKFW-NFOMZHRRSA-N 465.023 6.139 50 10 JKGE Cc1cc(Br)c([C@H](Br)c2sc(Cl)cc2Br)s1 2211916539 HLUCIOPBCJRRBP-QMMMGPOBSA-N 465.457 6.781 50 10 JKGE Cc1c(Br)sc([C@@H](Cl)c2cc(Cl)ccc2I)c1C 2218786922 DRPLOWYDOFKPNH-NSHDSACASA-N 476.004 6.714 50 10 JKGE Cc1csc([C@@H](Br)c2c(Br)cc(Cl)c(Cl)c2Cl)c1C 2225886149 HODBRTBPINXEKF-JTQLQIEISA-N 463.449 7.572 50 10 JKGE CC1(C)CCC[C@](CBr)(Cc2cc(Br)ccc2Br)O1 2226868628 XIWCOOUSIJPQEA-OAHLLOKOSA-N 455.028 5.867 50 10 JKGE Cc1cc(Br)c([C@H](Cl)c2ccc(Cl)cc2Br)c(C)c1Cl 2232530168 PNFVRISOCBMOFO-OAHLLOKOSA-N 457.420 7.463 50 10 JKGE C[C@H](CCCCCI)NCc1c(Br)sc2ccccc12 2232935387 XTRXNTMMHCXHJM-GFCCVEGCSA-N 466.226 6.137 50 10 JKGE COc1cc(Br)c([C@H](Br)c2cc(Cl)cc(Br)c2)cc1C 2236011568 SNKMFYWQSDJKJL-OAHLLOKOSA-N 483.425 6.666 50 10 JKGE CCn1cc([C@@H](Br)c2c(F)cc(F)c(Br)c2F)nc1Br 2236114596 MCXGUHDTIZHTLR-SNVBAGLBSA-N 476.916 5.330 50 10 JKGE FC(F)(F)Oc1ccc(Cl)cc1[C@H](Cl)c1cc(I)sn1 2239615001 XOWXGPRSDUKRDV-JTQLQIEISA-N 454.038 5.628 50 10 JKGE CC(C)[C@H](CCl)N(Cc1ccccc1)C(=O)c1c(F)cccc1I 2247967420 ITHLSMPTQDNZCK-KRWDZBQOSA-N 459.730 5.336 50 10 JKGE Cc1cc(Br)c([C@H](Cl)c2sccc2I)c(C)c1F 2253505753 SYIPBIZJXCMVTO-NSHDSACASA-N 459.549 6.199 50 10 JKGE CCc1cc([C@H](Br)c2ccc(Br)cc2F)sc1Br 2256051840 GLOGKNQTYXGQLR-GFCCVEGCSA-N 457.000 6.459 50 10 JKGE CC(C)CN(C[C@H](C)Br)C(=O)c1csc(Br)c1Br 2259776105 BKGCVNBPLVIPNL-QMMMGPOBSA-N 462.045 5.155 50 10 JKGE Cc1cc([C@@H](Br)c2cc3sc(Br)cc3s2)c(Br)s1 2263632629 LPLPUMZXIZBKSB-LLVKDONJSA-N 487.101 7.342 50 10 JKGE Cc1cc(Br)c([C@@H](Cl)c2scc(Br)c2Cl)c(C)c1Cl 2264608386 YHQLLPAZKSBRLF-GFCCVEGCSA-N 463.449 7.525 50 10 JKGE COc1ccc([C@H](Br)c2cc(Cl)cc(Cl)c2)cc1I 2269541838 JHQQABPDTHZPPN-AWEZNQCLSA-N 471.947 6.091 50 10 JKGE COc1ccc([C@H](Br)c2ccc(F)c(Br)c2)cc1I 2269547980 VSMXALYJDZKNOA-CQSZACIVSA-N 499.943 5.686 50 10 JKGE COc1cc(C)c(Br)c(C)c1[C@@H](Br)c1cscc1Br 2269602354 BZHBSXXAKKBSKN-AWEZNQCLSA-N 469.036 6.383 50 10 JKGE C[C@@H]1CCC[C@H]([C@H](Br)c2c(F)cc(Br)c(F)c2Br)C1 2272853256 JFZYNYHZTAKSTI-LWINAJNOSA-N 460.982 6.752 50 10 JKGE Cc1cc(Br)c([C@@H](Br)c2c(Br)sc(C)c2C)c(C)c1F 2279158088 LHZZBBZLYSFCKJ-CYBMUJFWSA-N 485.054 7.130 50 10 JKGE COc1cc(F)c([C@H](Br)c2c(F)cccc2I)c(F)c1 2282894727 QSCYJSSJRNKGJQ-AWEZNQCLSA-N 457.027 5.201 50 10 JKGE Clc1ccc([C@@H](Br)c2ccc(-c3cccs3)s2)cc1I 2283580350 VUKOQQCNAIVAGI-OAHLLOKOSA-N 495.632 7.219 50 10 JKGE Fc1cc(Br)c(F)c(Br)c1[C@H](Cl)c1c(Cl)cccc1Cl 2288355610 PIONXIWSCYXGMB-GFCCVEGCSA-N 465.346 7.125 50 10 JKGE COc1cccc(NC(=O)C(C#N)=Cc2cn(CC(=O)Nc3ccc(C)cc3)c3ccccc23)c1 2294146908 AHIRQFAWVYKKTC-UHFFFAOYSA-N 464.525 5.143 50 10 JKGE COc1cc(C=C(C#N)C(=O)Nc2ccc(F)cc2)ccc1OCc1ccc(Cl)c(Cl)c1 2294172014 TXJYATBDTFGWCC-UHFFFAOYSA-N 471.315 6.266 50 10 JKGE CCOc1cccc(NC(=O)C(C#N)=Cc2cc(C)n(-c3ccc(-c4ccccc4)cc3)c2C)c1 2294953987 WYRPSWTUDTZOER-UHFFFAOYSA-N 461.565 6.706 50 10 JKGE COc1cc(C)c(Cl)cc1[C@H](Br)c1ccc(C)c(I)c1 2295364669 HSJINCYXDLNNSX-MRXNPFEDSA-N 465.556 6.054 50 10 JKGE Cc1ccc(NC(=O)C(C#N)=Cc2c(Oc3cc(C)ccc3C(C)C)nc3ccccn3c2=O)cc1 2296721772 SUOJTDJVFWFQJL-UHFFFAOYSA-N 478.552 5.773 50 10 JKGE CCCOc1ccc(-c2nn(-c3ccccc3)cc2C=C(C#N)C(=O)Nc2ccc(OCC)cc2)cc1 2296728700 FUDVOCKSPJALHW-UHFFFAOYSA-N 492.579 6.272 50 10 JKGE CC(C)Cc1ccc(-c2csc(C(C#N)=CNc3ccc(Br)cc3F)n2)cc1 2296764000 XFAHFUBUUXGSDS-UHFFFAOYSA-N 456.384 6.887 50 10 JKGE N#CC(=Cc1ccc(-c2ccc([N+](=O)[O-])cc2)o1)C(=O)Nc1ccc(Br)cc1F 2297551334 BCFIDFUORLWUIG-UHFFFAOYSA-N 456.227 5.302 50 10 JKGE CO[C@H]1C[C@@H](C[C@H](Br)c2cc(Br)ccc2OCc2ccccc2)C1 2299536346 YSWPNCAZQUPUMD-WDYCEAGBSA-N 454.202 6.279 50 10 JKGE BrC[C@@]1(Cc2ccc(I)c(Br)c2)CC=CCC1 2306227425 MYIYJTKPZLJOMD-AWEZNQCLSA-N 469.986 5.718 50 10 JKGE CCOC(=O)C(C#N)=Cc1cc(I)c(OCc2ccccc2Cl)c(OC)c1 2313521258 ABQHRIKWQPOIMN-UHFFFAOYSA-N 497.716 5.002 50 10 JKGE C=CCc1cc(C=C(C#N)C(=O)Nc2ccc(C)cc2)cc(OC)c1OCc1ccc(Cl)cc1 2313567004 ARTUTVLZCVHDNP-UHFFFAOYSA-N 472.972 6.510 50 10 JKGE FC1(F)[C@@H]2[C@@H]([C@H](Br)c3cc(Br)ccc3OCc3ccccc3)CC[C@H]21 2314451742 HMTMXXWTKNQXBM-WLWJZTKJSA-N 472.167 6.755 50 10 JKGE FC(F)(F)C1([C@@H](Br)c2cc(Br)ccc2OCc2ccccc2)CCC1 2314497987 PQIGGXRLNJJSIP-KRWDZBQOSA-N 478.146 7.197 50 10 JKGE COc1c([C@@H](Cl)c2ccc(OCc3ccccc3)cc2Br)csc1Cl 2314500061 JOEAKMDNQOQOOO-KRWDZBQOSA-N 458.204 7.080 50 10 JKGE CC(C)CCOc1cccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)C=Cc4ccccc4)ccc32)c1 2314634762 HRFWOVISZXRDJE-LJAQVGFWSA-N 480.564 5.948 50 10 JKGE CCCC[C@@H](C)[C@H](Br)c1c(Cl)cc(Br)c(F)c1Br 2315445855 QLBVQTWBOANMHC-HQJQHLMTSA-N 465.426 7.266 50 10 JKGE C[C@H](C[C@@H](Br)c1c(Cl)cc(Br)c(F)c1Br)C1CC1 2315447688 QTKGPWHWYRLIQK-HTRCEHHLSA-N 463.410 6.876 50 10 JKGE C[C@@H]1CC[C@H]([C@H](Br)c2c(Cl)cc(Br)c(F)c2Br)O1 2315448207 XQEFLRYZAWPQMD-RHFNHBFPSA-N 465.382 6.008 50 10 JKGE CCCCCOc1ccc(C=C(C(=O)Nc2ccc(SC#N)cc2)c2ccccc2)cc1OC 2325254923 FNNJTFVWFJWBGS-UHFFFAOYSA-N 472.610 7.017 50 10 JKGE Cc1c(Br)sc([C@@H](Br)[C@H]2CC[C@@H]3[C@H](C2)C3(F)F)c1Br 2329709794 KQRMUXUQZDXWDT-ODHVRURNSA-N 479.022 6.699 50 10 JKGE N#CC(=C(O)c1cc2ccccc2oc1=O)c1nc(-c2cccc(Br)c2)cs1 2331278959 VCKDIVYKRQQKII-UHFFFAOYSA-N 451.301 5.629 50 10 JKGE COc1ccc(Cl)cc1N1C[C@@H](C(O)=C(C#N)c2nc(-c3ccc(F)c(C)c3)cs2)CC1=O 2331320713 XGSOXIGKVNXTCZ-HNNXBMFYSA-N 483.952 5.765 50 10 JKGE COc1cc(C(O)=C(C#N)c2nc(-c3cc(C(C)C)c(OC)cc3C)cs2)c([N+](=O)[O-])cc1OC 2331356068 KLZWJEJKZKZMOB-UHFFFAOYSA-N 495.557 6.126 50 10 JKGE COc1cc(C)c(-c2csc(C(C#N)=C(O)CCCOc3ccc4ccccc4c3)n2)cc1C(C)C 2331356194 ZGBOBJJNBRINLD-UHFFFAOYSA-N 498.648 8.056 50 10 JKGE COc1cc(-c2csc(C(C#N)=C(O)COc3cc(Cl)ccc3Cl)n2)c(OC)cc1Cl 2331376905 IASOJHIDHJXQFK-UHFFFAOYSA-N 497.787 6.659 50 10 JKGE N#CC(=Cc1ccc(OCc2ccc(Cl)cc2Cl)cc1)c1nc(-c2cccc(Cl)c2)cs1 2331440281 XYNNWNZNPQPKHH-UHFFFAOYSA-N 497.834 8.413 50 10 JKGE CCCCCCOc1c(Br)cc(C=C(C#N)c2nc(C(C)(C)C)cs2)cc1OC 2331442625 QQMRNHFTLDVDRN-UHFFFAOYSA-N 477.468 7.235 50 10 JKGE CCCCCOc1ccc(C=C(C#N)c2nc(-c3cc(C)cc(C)c3OC)cs2)cc1OC 2331469862 DLLUHNVLZPQGEV-UHFFFAOYSA-N 462.615 7.077 50 10 JKGE Fc1cc(Br)c(Br)cc1[C@@H](Br)C[C@@H]1C[C@H]1C(F)(F)F 2333604524 FWSYQLCZLOQLTK-ARDNSNSESA-N 468.908 6.375 50 10 JKGE Cc1cc(Br)c(C)c([C@@H](Br)C[C@H]2CCC2(F)F)c1Br 2335357975 HIRCZKKYLBSQQL-KOLCDFICSA-N 460.982 6.700 50 10 JKGE Fc1c(Br)cc(Cl)c([C@@H](Br)CC(F)(F)C(F)F)c1Br 2337096953 JPBNFGRKMVHOMC-BYPYZUCNSA-N 495.305 6.731 50 10 JKGE Fc1c(Br)cc(Cl)c([C@H](Br)[C@]23COC[C@H](C2)C3)c1Br 2337098921 TWMSCFTZJUENBV-MYWNEDRFSA-N 477.393 5.867 50 10 JKGE Clc1c(Br)sc(Br)c1[C@H](Cl)[C@H]1COC2(CCC2)CO1 2338784767 QRZRNXUASOREAW-HTRCEHHLSA-N 451.007 5.545 50 10 JKGE CC[C@@]1([C@H](Br)c2c(C)cc(Br)c(F)c2Br)CCCO1 2339653850 NLQNENUIQRFSAR-KGLIPLIRSA-N 458.991 6.054 50 10 JKGE C[C@H]1CN(Cc2ccc(Cl)cc2I)CC[C@H]1CCBr 2341009536 LIXNXSZCMOTLRI-NWDGAFQWSA-N 456.593 5.188 50 10 JKGE ClC[C@@H]1C[C@@H]2CCC[C@H]2N1Cc1ccc(I)c(Br)c1 2349825316 CKNDDJHPDCWNKG-SLEUVZQESA-N 454.577 5.036 50 10 JKGE Fc1ccc([C@H](Cl)CCc2ccc(I)c(Br)c2)cc1 2349833446 FMSASDURJOCNGL-CQSZACIVSA-N 453.520 6.106 50 10 JKGE Brc1cc(OCc2ccccc2)ccc1[C@@H](Br)[C@@H]1CCc2ccccc2C1 2361201927 WZIWRUFHGUZOIC-YKSBVNFPSA-N 486.247 7.269 50 10 JKGE CC1(C)[C@H]2CO[C@]1([C@@H](Br)c1c(Cl)cc(Br)c(F)c1Br)C2 2362224400 QFICGSUVMUZOJM-UHYRQXHGSA-N 491.420 6.255 50 10 JKGE CCCc1sc(Br)cc1[C@H](Br)c1c(Br)c(CC)nn1C 2363277021 JIVMJYXLSLLGIF-LBPRGKRZSA-N 485.083 6.006 50 10 JKGE Clc1cccc(C[C@H](CBr)Cc2ccc(Cl)cc2I)c1 2366713350 XXMIXXCDVADVIG-LBPRGKRZSA-N 484.002 6.394 50 10 JKGE CC1CCC([C@H](CBr)NC(=O)c2cc(Br)c(Br)s2)CC1 2379733879 XSAFZLGGHNYKPX-AMUVOQDHSA-N 488.083 5.593 50 10 JKGE CC(C)(C)[C@@H]1CC[C@H](Br)[C@H](Cc2cc(I)ccc2Cl)C1 2380522102 KTEJNLAIFRKLSG-KYOSRNDESA-N 469.632 6.713 50 10 JKGE FC(F)(F)CC1CCC([C@H](Cl)c2sc(Cl)cc2I)CC1 2381924327 MGXHZWJCICHPFA-AYVLWNQUSA-N 457.126 7.045 50 10 JKGE N#C/C(=C/c1ccc(-c2ccc(Cl)c(Cl)c2)o1)C(=O)Nc1ccc(Br)cc1F 867479 WRPZECPQRFCSFS-GHXNOFRVSA-N 480.120 6.701 50 10 JKGE Cc1ccccc1N/C(SCc1ccc(Cl)cc1)=C(/C#N)S(=O)(=O)c1ccccc1 20325160 WLMGLPUHPCDWFA-GHVJWSGMSA-N 455.004 6.160 50 10 JKGE O=C(NN=Cc1ccccc1OCc1ccccc1)c1cc(-c2ccccc2)nc2ccccc12 27520112 BGMIPMDTXOESTI-UHFFFAOYSA-N 457.533 6.245 50 10 JKGE CCN(CC)c1ccc(/C=N/NC(=O)c2cccc(NC(=O)c3cccc(Br)c3)c2)cc1 27520145 DFQOBFAJGORLFR-WPWMEQJKSA-N 493.405 5.312 50 10 JKGE N#C/C(=C/c1cccc(OC(=O)COc2ccc(Cl)cc2Cl)c1)c1cccc(Cl)c1 31902472 NKUBOWXYXQBYDY-MFOYZWKCSA-N 458.728 6.695 50 10 JKGE CCc1ccc(Oc2nc3ccccn3c(=O)c2/C=C(/C#N)S(=O)(=O)c2ccc(Cl)cc2)cc1 33636814 OEJLAMGCIOYMHE-QNGOZBTKSA-N 491.956 5.041 50 10 JKGE O=C(NNC(=O)c1cccc2ccccc12)c1ccc2nc(-c3ccccc3)c(-c3ccccc3)nc2c1 33809161 PIACJYUKUPEEOK-UHFFFAOYSA-N 494.554 6.192 50 10 JKGE CCSc1ccc(-c2nn(-c3ccccc3)cc2/C=C(\C#N)C(=O)Nc2ccc(C)cc2)cc1 35445850 MREDTQCHHUIANZ-OQKWZONESA-N 464.594 6.505 50 10 JKGE CC(C)(C)c1ccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4ccccc4[N+](=O)[O-])ccc32)cc1 38649757 ZBRFQKVBTUGBJE-XMMPIXPASA-N 469.497 5.330 50 10 JKGE C[C@@H](Oc1ccccc1F)C(=O)Oc1ccc2c(c1)OC(N)=C(C#N)[C@@H]2c1ccc(Cl)cc1 38651368 HEEALAMYLDFAEU-QKFKETGDSA-N 464.880 5.070 50 10 JKGE C=CCOc1ccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4ccc(Cl)cc4Cl)ccc32)cc1 38658085 QVRWPKCRFQIENM-XMMPIXPASA-N 493.346 5.996 50 10 JKGE CCCCOc1ccccc1[C@@H]1C(C#N)=C(N)Oc2cc(OC(=O)COc3ccccc3)ccc21 38682720 NTCVSOXTSNASNM-MHZLTWQESA-N 470.525 5.068 50 10 JKGE O=C(NNc1ncnc(Nc2cccc3ccccc23)c1[N+](=O)[O-])C(c1ccccc1)c1ccccc1 40627248 VIYOPJCAGOFVMS-UHFFFAOYSA-N 490.523 5.557 50 10 JKGE CCCCc1ccc(NC(=O)c2oc3c(c2C)/C(=N/NC(=O)c2ccccc2OC)CCC3)cc1 40813133 FXBQYORIEWTZFX-JBASAIQMSA-N 473.573 5.662 50 10 JKGE Cc1c(C(=O)Nc2ccccc2Cl)oc2c1/C(=N/NC(=O)c1ccc3ccccc3n1)CCC2 40825876 BHLMRQYPNFNQQC-TWKHWXDSSA-N 472.932 5.512 50 10 JKGE Cc1ccc2c(CC(=O)N/N=C3\CCCc4oc(C(=O)N5CCCC[C@H]5C)c(C)c43)coc2c1C 40826578 QTMDOOXUQVJISR-LEYZRSIQSA-N 475.589 5.365 50 10 JKGE COc1cc(/C=C(\C#N)C(=O)Nc2c(C)cccc2C)ccc1OCc1ccc(Cl)cc1Cl 59201342 GCWZDUMZEPWISZ-RGVLZGJSSA-N 481.379 6.744 50 10 JKGE COc1cc(/C=C(\C#N)C(=O)Nc2c(C)cccc2C)ccc1OCc1c(Cl)cccc1Cl 59201353 DHJYRUOOTXMPRL-XDHOZWIPSA-N 481.379 6.744 50 10 JKGE COc1ccc2ccc(OC)c(/C=N/NC(=O)c3ccc(-n4c(C)ccc4-c4ccccc4)cc3)c2c1 59304877 OBLSJZPKQJHEHS-UZWMFBFFSA-N 489.575 6.387 50 10 JKGE Cc1ccc(NC(=O)N/N=C/c2cc(Br)c(Sc3ccc(Cl)cc3)o2)c(C)c1 59679162 SFBAZVJUDSYLRZ-FOKLQQMPSA-N 478.799 6.619 50 10 JKGE Cc1ccc(C)c(OCCCC(C)(C)C(=O)NNC(=O)c2ccc(NC(=O)c3ccccc3)cc2)c1 66201456 LNNTVLMNOGMEBC-UHFFFAOYSA-N 487.600 5.202 50 10 JKGE N#C/C(=C/c1cn(CCOc2ccc(Cl)cc2)c2ccccc12)C(=O)NC1CCCCCC1 96936219 HOZXCNPLXHEEOQ-JZJYNLBNSA-N 461.993 6.120 50 10 JKGE CCCCCCCCCCCCCCCCNc1ncnc(NNC(=O)c2ccccn2)c1[N+](=O)[O-] 101479339 NZWGCPUQDYHMAN-UHFFFAOYSA-N 499.660 6.430 50 10 JKGE C=CCOC(=O)c1sc(N/C=C(\C#N)c2nc(-c3ccc(F)cc3)cs2)c(C(=O)OCC)c1C 102924605 JBMXQHXAMNLDPO-FOWTUZBSSA-N 497.573 5.815 50 10 JKGE CCOC(=O)c1ccc(-c2ccc(/C=C(/C#N)C(=O)Nc3ccc(Cl)c([N+](=O)[O-])c3)o2)cc1 103485460 GNJTVHIKXDSXRV-WJDWOHSUSA-N 465.849 5.231 50 10 JKGE Fc1cc([C@H](Br)c2cc(Br)sc2Br)cc(F)c1F 109869822 NLZWNNAPTJNLOJ-VIFPVBQESA-N 464.926 6.175 50 10 JKGE COc1ccc([C@H](Br)c2sc(C)cc2Br)cc1Br 114961618 UCJSTMOQMAGOQY-LBPRGKRZSA-N 455.009 6.074 50 10 JKGE COc1ccc(Br)c(C[C@@H](CBr)c2ccc(Br)cc2)c1 118851435 QIRBJJUCEJACBQ-ZDUSSCGKSA-N 463.007 5.941 50 10 JKGE COc1cc([C@@H](Br)c2cc(Cl)cc(Cl)c2)c(OC)cc1Br 134301047 ASTHEBZKCVZIEN-HNNXBMFYSA-N 454.973 6.257 50 10 JKGE CCCCCN1C(=O)C(C#N)=C(C)/C(=C/c2cn(-c3ccccc3)nc2-c2cccc([N+](=O)[O-])c2)C1=O 214232461 KJGWOHIOPCZMQT-JLPGSUDCSA-N 495.539 5.230 50 10 JKGE CCCCCc1cc2c(c(O[Si](C)(C)C(C)(C)C)c1)[C@H]1C=C(C(=O)O)CC[C@H]1C(C)(C)O2 225671440 VLMKGTYPVASJHP-LEWJYISDSA-N 458.715 7.479 50 10 JKGE in-vitro Cc1ccc(N(C(=O)CCl)[C@H](C(=O)N[C@H]2CCCC[C@H]2C)c2ccc(Cl)cc2)cc1C 230274901 RXHRPSUONFVIGL-UWSIMGETSA-N 461.433 5.965 50 10 JKGE Fc1ccc(C[C@@H](Br)c2cc(Cl)ccc2I)c(F)c1 236153274 RIZYFWUUNFAPNX-GFCCVEGCSA-N 457.483 5.902 50 10 JKGE CCOc1cc(C=NNC(=O)c2ccc(C)cc2OC)ccc1OCc1ccccc1Cl 252622069 NOAQGJCOBALBFP-UHFFFAOYSA-N 452.938 5.399 50 10 JKGE CCCCCCCCCC(=O)NCC(=O)NN=Cc1ccc(OC(=O)/C=C/c2ccccc2)cc1 254852889 BJRZWWCADJSNNE-CQUSDWHNSA-N 477.605 5.012 50 10 JKGE FC(F)(F)c1csc([C@@H](Br)c2cc(Cl)sc2Cl)c1Br 311879992 UKJHBOUDWUHNEF-LURJTMIESA-N 474.976 7.382 50 10 JKGE C[C@H](Cl)c1nc2cc(I)c(F)cc2n1CCCOCc1ccccc1 389962209 OUMOGFIKIGGNGK-ZDUSSCGKSA-N 472.729 5.687 50 10 JKGE Cc1cccc([C@@H](Cl)c2c(Br)cc(F)c(F)c2F)c1I 398453552 IETPAPHOGJSQDQ-LLVKDONJSA-N 475.473 6.108 50 10 JKGE Cc1cccc2c1nc(CCCl)n2CC1(N(Cc2ccccc2)Cc2ccccc2)COC1 705869565 NZBZTZXUCCVKJA-UHFFFAOYSA-N 460.021 5.597 50 10 JKGE Clc1cccc(C[C@H](CBr)Cc2ccccc2Br)c1Br 719424372 ZUZMUPIPBMIXOC-LLVKDONJSA-N 481.453 6.661 50 10 JKGE Cc1cc([C@H](Br)c2ccc(I)c(Br)c2)c(C)cc1F 721613847 MRPPPIXGUWWLPP-OAHLLOKOSA-N 497.971 6.294 50 10 JKGE COc1ccc(Br)cc1C=NNC(=O)c1ccc(CSc2ccc(Cl)cc2)cc1 1083924071 VCKUIERPEVPEIL-UHFFFAOYSA-N 489.822 6.167 50 10 JKGE O=C(CSc1c(Cl)c(Cl)c(Cl)c(Cl)c1Cl)NN=Cc1cccc(Cl)c1 1083955260 CMOCCFSJLLRMLT-UHFFFAOYSA-N 477.027 6.849 50 10 JKGE O=C(CSc1ccc(Cl)cc1)NN=Cc1ccccc1OCc1cccc2ccccc12 1084313433 NPQIBLTXJCOWDS-UHFFFAOYSA-N 460.986 6.315 50 10 JKGE Cc1cc(C=NNC(=O)c2cc3cc(Br)ccc3o2)c(C)n1-c1ccc(Cl)cc1 1084335811 PXDGJDQFGAVOIZ-UHFFFAOYSA-N 470.754 6.020 50 10 JKGE CCOc1ccc(C(=O)NN=Cc2c(C)n(Cc3ccc([N+](=O)[O-])cc3)c3ccccc23)cc1 1084353905 CAPYWNRLSTVQHP-UHFFFAOYSA-N 456.502 5.069 50 10 JKGE N#CSc1ccc(NC(=O)Oc2cccc3c(NC(=O)Cc4ccc(F)cc4)cccc23)cc1 1858770593 SSGZTBCMZBQLQT-UHFFFAOYSA-N 471.513 6.344 50 10 JKGE COc1cccc([C@H]2C(C#N)=C(N)Oc3c2c(-c2ccccc2)nn3Cc2cc(C)ccc2C)c1O 1865684524 RLEJKQJDIGCGNO-DEOSSOPVSA-N 478.552 5.148 50 10 JKGE N#CC1=C(N)Oc2c(c(-c3ccccc3)nn2Cc2ccccc2F)[C@@H]1c1ccc(Cl)c(Cl)c1 1865685385 IOVDHGQLFYRTDS-JOCHJYFZSA-N 491.353 6.262 50 10 JKGE CCOc1cccc([C@H]2C(C#N)=C(N)Oc3c2c(C(F)(F)F)nn3-c2cccc(Cl)c2)c1 1865690646 XXCVVTUKYNZEES-KRWDZBQOSA-N 460.843 5.161 50 10 JKGE C/C(=C\c1cccc(Cl)c1)C(=O)N[C@@H](C(=O)Nc1ccc(SC#N)cc1)c1ccccc1 1866821110 XRWJTKJMMDILEF-AKXFXYSNSA-N 461.974 5.813 50 10 JKGE CC(C)c1nc(Nc2ccc(SC#N)cc2)cc(N2CCO[C@@H](c3ccc(Cl)cc3)C2)n1 1868231936 XFVQJMIFXWBBNE-OAQYLSRUSA-N 466.010 6.148 50 10 JKGE Cc1ccccc1OCCC/C(O)=C(\C#N)c1nc(-c2cccc(Br)c2)cs1 1872746213 XZOJCUVWYBHBOD-ZZEZOPTASA-N 455.377 6.533 50 10 JKGE N#C/C(=C(O)\C=C\c1ccc(OCc2ccccc2)cc1)c1nc(-c2cccc(Cl)c2)cs1 1872748034 DXTBOAXLOPFZFH-LMPIXIHPSA-N 470.981 7.549 50 10 JKGE COc1ccc(-c2csc(/C(C#N)=C(\O)c3cc([N+](=O)[O-])ccc3Cl)n2)c(OC)c1OC 1872759070 CLIKLKRUJPBESC-JXAWBTAJSA-N 473.894 5.347 50 10 JKGE COc1cc(/C=C(\C#N)c2nc(-c3ccccc3)cs2)ccc1OCc1ccc(Cl)cc1Cl 1872790067 ITTOBTBUUAURJX-RGVLZGJSSA-N 493.415 7.769 50 10 JKGE COc1cc(/C=C(\C#N)c2nc(-c3cccc(Cl)c3)cs2)ccc1OCc1ccc(C)cc1 1872790305 YPWSIUPFHXIFHE-WSDLNYQXSA-N 472.997 7.424 50 10 JKGE COc1ccc(C)cc1-c1csc(/C(C#N)=C/c2ccc(OCc3ccccc3Cl)cc2)n1 1872791732 QLNCIYVZZQNJRL-KGENOOAVSA-N 472.997 7.424 50 10 JKGE CC(C)(C)OC(=O)N1CC(N(C[C@H](CBr)C(C)(C)C)OCc2ccccc2)C1 1884744456 RDFLVNOLEJSXPH-SFHVURJKSA-N 455.437 5.097 50 10 JKGE CCCCCc1ccc([C@@H](Br)c2cc(Br)c(Br)s2)s1 1889032704 GNSYNROBZQXUFC-CYBMUJFWSA-N 487.120 7.552 50 10 JKGE FC1(F)[C@@H]2CC[C@H]([C@@H](Br)c3cc(Br)sc3Br)[C@@H]21 1905706546 ONAXIUOWGUDYGB-OQZBJODKSA-N 450.968 6.000 50 10 JKGE C[C@H](Cl)c1nc2c(Br)cc(F)cc2n1[C@@H]1CN(Cc2ccccc2)C[C@@H]1C 1912671447 ZYDZABPZCNAYPX-CKFHNAJUSA-N 450.783 5.931 50 10 JKGE C[C@H](CBr)N(Cc1ccccc1)C(=O)c1ccc(Br)cc1Br 1914230556 WTXVDBYWWQPIOF-GFCCVEGCSA-N 490.033 5.637 50 10 JKGE C[C@H](CBr)N(Cc1ccccc1)c1ccc(C(F)(F)F)cc1Br 1914347512 FWTSMPXXJOPUTA-GFCCVEGCSA-N 451.124 6.258 50 10 JKGE CC[C@@H](Cl)CN(Cc1ccccc1)S(=O)(=O)c1ccc(Cl)c(Br)c1 1915106009 PDDVNHOCTMXXIP-CQSZACIVSA-N 451.213 5.311 50 10 JKGE CN(C[C@@H](Br)COCc1ccccc1)C(=O)c1ccc(Cl)c(Br)c1 1916383080 CBSYJKADSDHOTQ-OAHLLOKOSA-N 475.608 5.155 50 10 JKGE CC1(C)C[C@@H]([C@H](Br)c2sc(Br)cc2Br)C(C)(C)O1 1922881519 IUEKMFHROKZVAU-XVKPBYJWSA-N 461.057 6.303 50 10 JKGE Fc1ccc(C[C@@H](Br)c2c(Br)sc(Br)c2Cl)cc1 1923040997 XVDKLJVQMARKDG-MRVPVSSYSA-N 477.418 6.744 50 10 JKGE Clc1c(Br)sc(Br)c1[C@@H](Br)C1(c2ccccc2)CC1 1923066094 LQMBOTOQJUUOOJ-LLVKDONJSA-N 485.466 7.094 50 10 JKGE Cc1ccc([C@H](Cl)c2c(Br)sc(Br)c2Br)c(C)c1 1924586307 WEGHAGIFJOPJNJ-NSHDSACASA-N 473.455 6.981 50 10 JKGE Cl[C@@H](c1c(Br)sc(Br)c1Br)[C@H]1C[C@@H]2O[C@H]1[C@H]1C[C@@H]21 1924612738 DHEZAVMOAVTJSO-AYECKONKSA-N 477.443 5.739 50 10 JKGE FC(F)Oc1ccccc1[C@@H](Br)c1c(Cl)sc(Br)c1Cl 1925601698 XKNDYBKIXLMZIR-MRVPVSSYSA-N 466.956 6.903 50 10 JKGE FC1(F)[C@@H]([C@H](Br)c2cc(Br)c(Br)s2)C12CCC2 1944839662 LYHNVCDAHNABIT-SFYZADRCSA-N 450.968 6.145 50 10 JKGE Clc1c(Br)ccc(CBr)c1N1CCC(OCc2ccccc2)CC1 1948740272 XWTIPSAHLCVFIJ-UHFFFAOYSA-N 473.636 6.183 50 10 JKGE C[C@]1([C@H](Cl)c2c(Br)sc(Br)c2Br)CCCOC1 2015962625 DXHCLQUBTPCLTG-KCJUWKMLSA-N 467.448 6.132 50 10 JKGE C[C@@H]1CCN(c2c(CBr)ccc(Br)c2Cl)CCN1Cc1ccccc1 2036841113 YZJGGQACPXBDBB-OAHLLOKOSA-N 486.679 6.098 50 10 JKGE Clc1c(Br)ccc(CBr)c1N1C[C@@H]2CC[C@H](C1)N2Cc1ccccc1 2036848067 KBXLVBFKKVSRLE-CALCHBBNSA-N 484.663 5.851 50 10 JKGE C[C@H]1CN(Cc2ccccc2)CCCN1c1c(CBr)ccc(Br)c1Cl 2036850433 ZFEFASYDSBTGAG-HNNXBMFYSA-N 486.679 6.098 50 10 JKGE Cc1c(Cl)cc([C@H](Cl)c2cc(Br)sc2Br)cc1Br 2048503895 QGLXDJBACVVIIC-NSHDSACASA-N 493.873 7.326 50 10 JKGE CC(C)[C@@H]1CC[C@@H](Br)[C@@H](Cc2c(Br)cccc2Br)C1 2094092633 IBMHXQKWMKEGMU-YRGRVCCFSA-N 453.056 6.590 50 10 JKGE COc1cc(Br)c([C@@H](Cl)c2cscc2OCc2ccccc2)cc1OC 2100093525 SMSLOFDCCYIJOJ-HXUWFJFHSA-N 453.785 6.435 50 10 JKGE Clc1c(Br)sc(Br)c1[C@H](Br)[C@@H]1CCCCC12CCC2 2117006488 FDQKABQVNLVEFI-WCBMZHEXSA-N 491.514 7.723 50 10 JKGE Cc1ccc(S(=O)(=O)N(Cc2ccccc2)Cc2cccs2)cc1CBr 2123198799 JDQVUWKKVZOPSC-UHFFFAOYSA-N 450.423 5.343 50 10 JKGE Cc1cc(Br)c(C)c([C@@H](Br)[C@@H]2CC23CCCC3)c1Br 2136375325 UNWQMIYBIQQFLX-NHYWBVRUSA-N 451.040 6.845 50 10 JKGE Cc1cc(Cl)c(Br)cc1[C@H](Cl)c1cccc(C)c1I 2137654248 HONFEVHDWXWTIS-CQSZACIVSA-N 469.975 6.652 50 10 JKGE Brc1cccc(Br)c1C[C@H]1CCc2ccccc2[C@@H]1Br 2150493669 MINCYGUGENGFNJ-SJKOYZFVSA-N 459.019 6.453 50 10 JKGE Cc1c(Cl)cc([C@H](Br)c2ccc(F)c(Br)c2F)cc1Br 2167382505 GXSDPDGHNHZTCA-LBPRGKRZSA-N 489.379 6.936 50 10 JKGE Cc1c(Cl)cc(C[C@@H](CBr)c2ccccc2Br)cc1Br 2167384360 IBDJBGYQAONMSG-LBPRGKRZSA-N 481.453 6.895 50 10 JKGE Cl[C@@H](Cc1ccc2c(c1)CCO2)c1ccc(I)c(Br)c1 2168659289 HPAOPRTXBXUPMX-AWEZNQCLSA-N 463.540 5.511 50 10 JKGE C[C@H](Cl)c1nc2cc(Cl)c(Br)cc2n1C(C)(C)CN(C)Cc1ccccc1 2169012034 SJNVWDNOBAUNCN-AWEZNQCLSA-N 469.254 6.619 50 10 JKGE Cc1c(Br)sc([C@H](Br)c2cc3c(C)nn(C)c3s2)c1Br 2175242549 DGCCTYMYABRVJY-SNVBAGLBSA-N 499.091 6.322 50 10 JKGE FC1(F)CCC2(CC1)[C@@H](Br)C[C@@H]2Oc1ccccc1I 2177594958 CBCROCYIJPXVGJ-STQMWFEESA-N 457.096 5.402 50 10 JKGE Cc1ccc([C@@H](Br)c2c(C)c(Br)cc(C)c2Br)cc1Cl 2201069823 LWOOIJKOSZFKJY-MRXNPFEDSA-N 481.453 7.275 50 10 JKGE Cc1c(Br)sc([C@@H](Cl)c2cccc(Br)c2Br)c1C 2218779646 FKTDTJQUOSIITD-NSHDSACASA-N 473.455 6.981 50 10 JKGE Cc1cc(Br)c([C@@H](Br)[C@H]2CCCC23CC3)c(C)c1Br 2227359053 DXPONJHHKWPQSQ-ABAIWWIYSA-N 451.040 6.845 50 10 JKGE Clc1cc(Br)c([C@@H](Br)[C@@H]2CC3(CCC3)CO2)c(Cl)c1Cl 2232512487 NJGWMEYSFHBTCZ-ONGXEEELSA-N 463.424 6.805 50 10 JKGE CC1([C@H](Br)c2cc(Br)c(Br)cc2F)CCCCCCC1 2233977277 SVVYTQBBVWLBIH-OAHLLOKOSA-N 471.046 7.537 50 10 JKGE Fc1cc(Br)c(Br)cc1[C@H](Br)c1cccc(C2CC2)c1 2233981678 LXJFZSULIXNWTN-MRXNPFEDSA-N 462.982 6.712 50 10 JKGE COc1ccc([C@@H](Br)c2sc(C)c(C)c2Br)c(Cl)c1Cl 2237631056 DKUUUCWXKVSGRM-LLVKDONJSA-N 459.030 6.927 50 10 JKGE C[C@@H](COCc1ccccc1)CC(CBr)(CBr)CCc1ccccc1 2258676308 XOAWZEBNHYALSU-LJQANCHMSA-N 468.273 6.638 50 10 JKGE COc1cc(C)c(Cl)cc1[C@H](Br)c1cc(I)sn1 2263469479 HVPGSOCTWDZEFK-LBPRGKRZSA-N 458.546 5.202 50 10 JKGE Cc1cc([C@H](Br)c2c(Br)cc(C)c(F)c2C)sc1Br 2264470391 FOWXCJWOBSBRCT-LBPRGKRZSA-N 471.027 6.822 50 10 JKGE Cc1cc(F)c(Br)cc1[C@H](Br)c1c(Cl)sc(Cl)c1Cl 2270452264 GMDQVVOYFNSVCF-VIFPVBQESA-N 467.412 7.403 50 10 JKGE CCCCO[C@@H]1[C@H](Br)C[C@H]1Oc1cc(I)ccc1Cl 2272639391 PFDFWTDWPDYONX-LERXQTSPSA-N 459.549 5.045 50 10 JKGE Fc1cc(Br)c(F)c(Br)c1[C@H](Br)[C@@H]1[C@@H]2CCCO[C@H]21 2272844120 VAHBUBKILNFZES-QCVHPIQRSA-N 460.938 5.351 50 10 JKGE Fc1cc(Br)c(F)c(Br)c1[C@H](Br)C(F)(F)C(F)(F)F 2272849389 HNUCXJRZGWHINN-ZETCQYMHSA-N 482.813 6.123 50 10 JKGE COc1cc(Cl)c(Cl)cc1[C@@H](Cl)c1ccc(Cl)c(I)c1 2283585134 TYNCVNWTYYNZFT-AWEZNQCLSA-N 461.941 6.588 50 10 JKGE C[C@H]1CCC[C@@](CI)(OCc2c(F)cc(Br)cc2F)C1 2287181228 UAJHJNGNBIWAEA-ZUZCIYMTSA-N 459.112 5.628 50 10 JKGE Fc1cc(Br)c(F)c(Br)c1[C@@H](Br)[C@@H]1CC12CCOCC2 2288344992 BFUXHYHJVXJUIJ-CPCISQLKSA-N 474.965 5.743 50 10 JKGE N#CC(=Cc1ccc(OC(=O)c2ccc(Cl)cc2Cl)cc1)C(=O)Nc1ccccc1C(=O)O 2293769073 URSOZQBCFPUGHR-UHFFFAOYSA-N 481.291 5.456 50 10 JKGE Cc1cccc(C)c1OCCOc1ccc(C=C(C#N)C(=O)NCc2ccco2)cc1Cl 2293993174 SJEHZSOEXRINEI-UHFFFAOYSA-N 450.922 5.231 50 10 JKGE Cc1cc2sc([C@@H](Cl)Cc3cc(Br)cc(Br)c3)cc2s1 2295335475 KWAJHRPLCIEHJA-LBPRGKRZSA-N 450.648 7.319 50 10 JKGE CCC(CC)([C@@H](Br)c1cc2sc(Br)cc2s1)C(F)(F)F 2295512315 OOPCPINIYGAEQI-NSHDSACASA-N 450.183 7.530 50 10 JKGE CCOC(=O)c1c(NC=C(C#N)c2nc(-c3ccc(OC(C)=O)cc3)cs2)sc2c1CCC2 2297368657 HDRLHXPEZGCPJG-UHFFFAOYSA-N 479.583 5.439 50 10 JKGE Cc1cccc2cc(C=C(C#N)c3nc(-c4ccc(Br)cc4)cs3)c(Cl)nc12 2297624092 FRNFMHKEIXZGMC-UHFFFAOYSA-N 466.791 7.147 50 10 JKGE Cc1coc(C)c1[C@@H](Br)c1ccc(OCc2ccccc2)cc1Br 2299524539 FGCFXTNSBJUKSQ-FQEVSTJZSA-N 450.170 6.722 50 10 JKGE Brc1ccc(OCc2ccccc2)c([C@@H](Br)[C@H]2CCC3(CC3)C2)c1 2299529355 AXNGKVXMVVXKGA-JXFKEZNVSA-N 450.214 7.044 50 10 JKGE FC1(F)CCC[C@H]1[C@H](Br)c1cc(Br)ccc1OCc1ccccc1 2299535512 PQFQRYDPABHCHU-FUHWJXTLSA-N 460.156 6.900 50 10 JKGE CC(C)[C@H](C)[C@@H](Br)c1c(Cl)cc(Br)c(F)c1Br 2300172402 QIQAXXCJNBUMEX-QUBYGPBYSA-N 451.399 6.732 50 10 JKGE Brc1cc(Br)c([C@@H](Br)[C@H]2OC[C@@H]3CCCC[C@H]23)s1 2312253850 FKIASHMQDJEPQN-OSTYVCCYSA-N 459.041 5.914 50 10 JKGE N#CC(=Cc1cn(Cc2cccc3ccccc23)c2ccccc12)C(=O)N1CCN(c2ccccc2)CC1 2313567967 QQOWZOHWKHJVQE-UHFFFAOYSA-N 496.614 6.099 50 10 JKGE Fc1c(Br)cccc1[C@H](Cl)c1ccc(OCc2ccccc2)cc1Br 2314452065 JPVPHYAUWDSEBF-LJQANCHMSA-N 484.590 7.258 50 10 JKGE C=CCNC(=O)C(C#N)=C1S[C@H](Cc2ccc(Cl)c(Cl)c2)C(=O)N1c1ccc(C)c(C)c1 2314594076 YRVGTJZOVPSQDK-OAQYLSRUSA-N 486.424 5.339 50 10 JKGE Fc1c(Br)cc(Cl)c([C@@H](Br)C(F)(F)C(F)F)c1Br 2315448454 ALSWKBJNJGFGOS-SSDOTTSWSA-N 481.278 6.341 50 10 JKGE COc1ccc(C=C(C(=O)NNC(=O)c2sc(Cc3ccccc3)nc2C)c2ccccc2)cc1 2323433479 OHEDWWROWYQJFD-UHFFFAOYSA-N 483.593 5.053 50 10 JKGE CN(Cc1ccc(I)c(Br)c1)[C@@H]1CCCC[C@H]1Br 2325211355 HVZFSXBQKRJIBR-BXUZGUMPSA-N 487.017 5.192 50 10 JKGE C[C@H]1C[C@](CBr)(Cc2ccc(I)c(Br)c2)CCO1 2325220958 KNIMALJMAAGHES-HZMBPMFUSA-N 488.001 5.176 50 10 JKGE CCN(CC)c1ccc(C=C2Oc3cc(OCc4cccc(CCl)c4)cc(C)c3C2=O)cc1 2325363389 MZOZYQWUKNYXEA-UHFFFAOYSA-N 461.989 6.775 50 10 JKGE COc1ccc([C@H](NC(=O)C(C#N)=Cc2ccc(Br)cc2)c2nc(C)cs2)cc1 2329658790 SJKNJULQEWJVDF-FQEVSTJZSA-N 468.376 5.035 50 10 JKGE COc1ccc(F)cc1-c1cc(C)ccc1NC(=O)C(C#N)=Cc1cccc(Br)c1 2329697791 SWMZENAIXTUIED-UHFFFAOYSA-N 465.322 6.118 50 10 JKGE COc1cc(C=C(C#N)n2cnc3ccccc32)ccc1OCc1ccc(Cl)cc1Cl 2331032855 QGVANGBXZOKRDI-UHFFFAOYSA-N 450.325 6.452 50 10 JKGE COc1ccccc1-c1csc(C(C#N)=C(O)[C@H](CCSC)N2C(=O)c3ccccc3C2=O)n1 2331282361 KNAXWNPWNADQNM-FQEVSTJZSA-N 491.594 5.029 50 10 JKGE COc1ccc(C=C(C(O)=C(C#N)c2nc(-c3cccc(Cl)c3)cs2)c2ccccc2)cc1 2331294171 YQMJAXBJQFOZDB-UHFFFAOYSA-N 470.981 7.506 50 10 JKGE Cc1ccc(-c2csc(C(C#N)=C(O)[C@H](C(C)C)N3C(=O)c4ccccc4C3=O)n2)c(C)c1 2331308942 DDCCEESNUXKCMF-QFIPXVFZSA-N 457.555 5.540 50 10 JKGE N#CC(=C(O)c1cc(Cl)ccc1Cl)c1nc(-c2ccc(Oc3ccccc3)cc2)cs1 2331358988 MYOOBOJOUWKNJO-UHFFFAOYSA-N 465.361 7.859 50 10 JKGE Cc1ccc(-c2csc(C(C#N)=C(O)[C@H](C(C)C)N3C(=O)c4ccccc4C3=O)n2)cc1C 2331382703 XCEYNVDHFYLERT-QFIPXVFZSA-N 457.555 5.540 50 10 JKGE CCOc1c(Br)cc(C=C(C#N)c2nc(-c3ccc(OC)c(C)c3)cs2)cc1OC 2331429593 KFJXPOTXNWKIDC-UHFFFAOYSA-N 485.403 6.361 50 10 JKGE COc1ccc(C(C)(C)C)cc1-c1csc(C(C#N)=Cc2cccc(Br)c2)n1 2331461907 VBEPOTUEVIVOPQ-UHFFFAOYSA-N 453.405 6.943 50 10 JKGE CC(C)(c1ccccc1)[C@H](Br)c1cc(Br)ccc1OCc1ccccc1 2336048514 UZGIJSAPOJVTID-JOCHJYFZSA-N 474.236 7.442 50 10 JKGE Cc1cc(Br)c(F)c(Br)c1[C@@H](Br)[C@H]1CCCC1(F)F 2339646874 VWWCQPXPRZHHNV-XCBNKYQSSA-N 464.945 6.531 50 10 JKGE CC(C)(C)[C@@H]1CC[C@H]1[C@H](Br)c1cc(Br)c(Br)cc1F 2343222661 RTBKJDPLSJQSSB-PWZJLYFZSA-N 457.019 6.859 50 10 JKGE CC[C@@H]1CN(C(=O)OCc2ccccc2)[C@H](CC)CN1C[C@@](C)(CBr)C(C)(C)C 2352073104 RCDJSNOUTPMIRF-PQNGQFLHSA-N 467.492 5.945 50 10 JKGE CCc1cc(Br)c(OC)c([C@H](Br)c2coc(Br)c2)c1 2353039717 KMVXUCQJKBVDTP-CYBMUJFWSA-N 452.968 5.860 50 10 JKGE CC12CC(C1)[C@@H]([C@H](Br)c1c(Cl)cc(Br)c(F)c1Br)CO2 2362898829 XNMPVIBRGLULKE-RTUBUFATSA-N 491.420 6.255 50 10 JKGE Cc1cc(Br)c(F)c(Br)c1[C@@H](Br)[C@@H]1[C@H]2CCCCC[C@H]21 2365191860 RXYKPFHKKZSLGA-XXSPCDMZSA-N 469.030 6.921 50 10 JKGE COc1c(Br)cc(C)c([C@H](Br)[C@]23CO[C@](C)(C2)C3)c1Br 2365217908 IOJUYJHAGGTVJY-KKUMJFAQSA-N 469.011 5.534 50 10 JKGE O=C(N[C@@H](CCBr)COCc1ccccc1)c1ccc(C(F)(F)F)cc1Cl 2369430326 BJTRQBIBSXUVMI-HNNXBMFYSA-N 464.709 5.459 50 10 JKGE Cc1ccc(C[C@@H](CCl)Cc2ccc(I)c(Br)c2)cc1 2377331737 XYQOIYJGZSNWEN-OAHLLOKOSA-N 463.584 6.002 50 10 JKGE CN(Cc1cc(I)ccc1Cl)C1(CBr)CC2(CCC2)C1 2380509217 NBTRKLJDIQPKCH-UHFFFAOYSA-N 468.604 5.474 50 10 JKGE COc1cc(/C=C(/C#N)c2cccc(Cl)c2)ccc1OC(=O)c1ccc(C(F)(F)F)cc1 31902422 IDSYFFIZWLEJFU-WQRHYEAKSA-N 457.835 6.651 50 10 JKGE N#C/C(=C/c1ccc(-c2ccc([N+](=O)[O-])cc2)o1)C(=O)Nc1ncc(Cc2ccc(Cl)cc2)s1 33911017 KRZPRQGGDONYRX-ATVHPVEESA-N 490.928 6.101 50 10 JKGE CCCCOc1ccccc1C(=O)Oc1ccc2c(c1)OC(N)=C(C#N)[C@H]2c1ccc(C(=O)OC)cc1 38683695 ARMRQVPJHWRQTI-SANMLTNESA-N 498.535 5.089 50 10 JKGE CCCCOc1cccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4ccc(OCC)cc4)ccc32)c1 38685134 CZEUFOPPQLHYKE-HHHXNRCGSA-N 484.552 5.702 50 10 JKGE C=CCc1cc(/C=N\NC(=O)CC[C@H](O)c2ccccc2)cc(OCC)c1OCc1ccccc1F 58892215 LBCOAZDEPIMNGI-ZMIIAFDNSA-N 490.575 5.496 50 10 JKGE CCOc1ccc([C@H](O)CCC(=O)N/N=C\c2ccccc2OCc2ccccc2Cl)cc1 58895427 AVRBHZAEMZUVPM-WVVPCBRLSA-N 466.965 5.282 50 10 JKGE N#C/C(=C/c1cn(Cc2ccc(F)cc2)c2ccccc12)C(=O)Nc1sc2c(c1C#N)CCCC2 59116655 YUKWXWNNKIWKQM-UYRXBGFRSA-N 480.568 6.186 50 10 JKGE O=C(N/N=C(/CSc1nc2ccccc2[nH]1)c1cccc(Br)c1)c1ccccc1 59460633 QAESQYLADLREMI-QOMWVZHYSA-N 465.376 5.252 50 10 JKGE CCCCCCOc1ccc(/C=C(\C#N)C(=O)Nc2ccc(CC)cc2Br)cc1OC 65000437 HXQOFELKBZRIML-XSFVSMFZSA-N 485.422 6.525 50 10 JKGE CCOc1cc(/C=C(/C#N)c2nc3sc4c(c3c(=O)[nH]2)CC[C@H](C)C4)cc(Br)c1O 95949642 JHCDEVZQICHYJY-HKMIMPICSA-N 486.391 5.040 50 10 JKGE Cc1cc(C)c(NC(=O)/C(C#N)=C\c2ccc(OCc3cccc(C(F)(F)F)c3)cc2)c(C)c1 96438689 PUHVGZUWVMPVGS-XKZIYDEJSA-N 464.487 6.755 50 10 JKGE Fc1cc(Br)ccc1-n1c(CCl)nc2cc(I)ccc21 97353982 IUKJHEQHTFDKAC-UHFFFAOYSA-N 465.491 5.271 50 10 JKGE CC(C)(C)[C@H]1CC2=C(OC(N)=C(C#N)[C@H]2c2ccc(Cl)cc2)/C(=C\c2ccc(Cl)cc2)C1 98064676 PKPNCDBPQDISDP-IUMWETJISA-N 465.424 7.595 50 10 JKGE CCc1ccc(N2C(=O)[C@H](Cc3ccccc3F)S/C2=C(/C#N)C(=O)N[C@H](C)c2ccccc2)cc1 101242918 IHNIYADEBSZMPF-VAMWZUOXSA-N 499.611 5.692 50 10 JKGE CCCN1C(=O)C(C#N)=C(C)/C(=C\c2cn(-c3ccccc3)nc2-c2ccc(OC)c(Cl)c2)C1=O 101332710 MOHYXWUCHZBNKX-FYJGNVAPSA-N 486.959 5.204 50 10 JKGE Brc1ccc(Br)c([C@H](Br)c2ccc3ccccc3c2)c1 109844688 UFBQFZMTINODMD-QGZVFWFLSA-N 454.987 6.849 50 10 JKGE COc1cc(C)c(Br)cc1[C@@H](Br)c1ccc(Br)c(F)c1 115867200 VGEAYVLJPZROLF-HNNXBMFYSA-N 466.970 6.152 50 10 JKGE Cc1cc(Br)c([C@H](Br)c2c(F)cc(Br)cc2F)s1 122339339 VOPCIGCPZPVDKA-LLVKDONJSA-N 460.963 6.344 50 10 JKGE BrCC(CBr)(Cc1nccs1)c1ccc(Br)cc1 127437554 DZCDBBVZAUOUSF-UHFFFAOYSA-N 454.025 5.176 50 10 JKGE O=C(c1cc(Br)c(Br)s1)N1CCCCC[C@H]1CBr 157711281 XCWXCMLMYFFDJW-QMMMGPOBSA-N 460.029 5.053 50 10 JKGE Cc1ccc(S(=O)(=O)OC[C@@H](C)[C@@H]2CC[C@H]3[C@@H](O[Si](C)(C)C(C)(C)C)CCC[C@]23C)cc1 169878776 YPZVZHFTOWMQHV-JNJJRJLRSA-N 480.787 6.943 50 10 JKGE CC1(C)C[C@H](NC(=O)NCCc2c[nH]c3cc(OCc4ccccc4)ccc23)C[C@@](C)(CN=C=O)C1 170291087 FRJLOUGTXPQCNA-MUAVYFROSA-N 488.632 5.509 50 10 JKGE FC(F)(F)c1cc(Oc2ccc(I)cc2)ccc1CBr 218202017 GPQKCILOFHCUPU-UHFFFAOYSA-N 457.027 5.997 50 10 JKGE C[C@H](Br)c1ccccc1NC(=O)c1ccc(I)c(Cl)c1 232349331 WCZYZWMCEQQGBU-VIFPVBQESA-N 464.528 5.653 50 10 JKGE CCOc1ccc(Br)cc1[C@@H](Cl)c1cc(Br)sc1Br 233780083 BSCGZTGZQKRTEO-GFCCVEGCSA-N 489.454 6.763 50 10 JKGE COc1cc(F)c(Br)cc1[C@H](Cl)c1cc(Br)sc1Br 234922063 UFGPAJHQADHOKE-NSHDSACASA-N 493.417 6.512 50 10 JKGE Cc1sc(Br)cc1[C@@H](Br)c1ccc(Cl)cc1Br 235817132 ZFPLSLANEHYLEQ-LBPRGKRZSA-N 459.428 6.719 50 10 JKGE CC(=O)O[C@H]1CC[C@]2(C)[C@@H]3CC[C@]4(C)[C@H]([C@H](C)CC[C@@H](C)C(C)C)CC[C@@H]4[C@@]34CC[C@@]2(C1)OO4 254295383 NQOHVZFOGSDCDQ-RDLXBQQTSA-N 474.726 7.492 50 10 JKGE COc1ccc(C=NNC(=O)Cc2c[nH]c3ccccc23)cc1CSc1nc2ccccc2o1 254391917 DVOYAJZVEYUSLF-UHFFFAOYSA-N 470.554 5.303 50 10 JKGE CCCOc1ccc(C(=O)NN=Cc2c(OCc3ccc(F)cc3)ccc3ccccc23)cc1 254440038 BUQXWJFYRNYFGY-UHFFFAOYSA-N 456.517 6.111 50 10 JKGE Cc1ccccc1C[C@H](C(=O)NN=Cc1cccc(OCc2cccc3ccccc23)c1)c1ccccc1 254735234 UFSKKMFCSQZXMD-XIFFEERXSA-N 498.626 7.204 50 10 JKGE C(/C=C\c1ccccc1)=Nc1ccc(SSc2ccc(N=C/C=C\c3ccccc3)cc2)cc1 254792615 UTZIQCCOURHJMP-JDOHWQJWSA-N 476.670 9.317 50 10 JKGE Cc1ccc2nc(-c3ccc(C(C)C)cc3)cc(C(=O)NN=C[C@H](C)Cc3ccc4c(c3)OCO4)c2c1 254876302 VECLZIYIZCKCRY-OAQYLSRUSA-N 493.607 6.657 50 10 JKGE C[C@]12CC[C@@H]3c4ccc(O)cc4C[C@H](CCCCCCCCCBr)[C@@H]3[C@H]1CC[C@H]2O 257048137 ILWDBZWOZQESSY-PDXCLAKJSA-N 477.527 7.351 50 10 JKGE C[C@@]1(CI)CC[C@@H](c2ccc(Br)c(Br)c2)O1 309418213 KZYHZFKSUQKRHD-RYUDHWBXSA-N 459.947 5.257 50 10 JKGE COc1cc(Br)ccc1Oc1ccc(Br)cc1CBr 312030873 XPYGJFZNBZOONR-UHFFFAOYSA-N 450.952 5.907 50 10 JKGE Cc1cc(COc2c(Br)cc(Br)cc2CBr)cs1 385543060 UXPHQENMSYMCEM-UHFFFAOYSA-N 455.009 6.055 50 10 JKGE C[C@@H](Cl)c1nc2cc(I)c(F)cc2n1CCCCOCc1ccccc1 390665458 UEGYEFQENKJXRY-CQSZACIVSA-N 486.756 6.077 50 10 JKGE Clc1cc([C@H](Br)c2nscc2Br)sc1Br 404710741 MOYOBGOWSWTBKE-LURJTMIESA-N 452.418 5.867 50 10 JKGE CN1/C(=C\C=NNC(=O)c2cn(-c3ccccc3)nc2-c2ccccc2)C(C)(C)c2ccccc21 606347267 ZAECHMXFBNWFJU-DBPCCWQVSA-N 461.569 5.566 50 10 JKGE C[C@@H](Cl)c1nc2ccc(F)c(Br)c2n1C[C@H]1CCCN1Cc1ccccc1 689779859 REUULYFVTDGPGQ-GDBMZVCRSA-N 450.783 5.902 50 10 JKGE Cn1cc(Br)c([C@H](Br)c2csc3c(Br)cccc23)n1 693123344 SLIIZEPFMMRZHP-LLVKDONJSA-N 465.008 5.644 50 10 JKGE Cl[C@@H](c1ccsc1Br)c1cc(I)cc2c1OCC2 698552408 OILSBUGMERFIFP-NSHDSACASA-N 455.542 5.378 50 10 JKGE O=[N+]([O-])c1ccccc1C[C@@H](Br)c1scc(Br)c1Br 705493564 UGLKKVIFWURLKZ-MRVPVSSYSA-N 469.980 5.860 50 10 JKGE BrCc1cc(Br)cc(Br)c1OC[C@@H]1C[C@@H]2CCC[C@H]2O1 720798456 YBDIXEOULGFSKM-DUFXMDAXSA-N 469.011 5.443 50 10 JKGE Cc1sc(C)c([C@H](Cl)c2cc(Br)ccc2I)c1C 722474228 FHBARLYXZYUYMO-CQSZACIVSA-N 455.586 6.369 50 10 JKGE Cc1cc(C)nc(SCC(=O)NN=Cc2ccc(OCc3ccc4ccccc4c3)cc2)n1 1083900328 RQQDROUDRHVFKL-UHFFFAOYSA-N 456.571 5.068 50 10 JKGE CC(=NNC(=O)CC1(C)OCCO1)c1ccc2c(c1)[C@@H]1C=CC[C@@H]1[C@H](c1ccccc1Cl)N2 1084303219 TVDQNCSTZMDVOS-HHJKRLRDSA-N 465.981 5.160 50 10 JKGE CC(=NNC(=O)[C@H](C)Sc1ccccc1)c1ccc2c(c1)[C@@H]1C=CC[C@@H]1[C@H](c1ccccc1)N2 1084362654 QZBNTNJJGNFPJL-JZSIBJPYSA-N 467.638 6.534 50 10 JKGE CCCc1nn(Cc2c(F)cccc2Cl)c2c1[C@@H](c1ccccc1Cl)C(C#N)=C(N)O2 1865685003 CPGXQYRTOYQJMM-FQEVSTJZSA-N 457.336 5.548 50 10 JKGE CCCCCOc1c(Br)cc([C@H]2C(C#N)=C(N)Oc3c2c(C)nn3CCC)cc1OC 1865691940 FLXHWMFSPVAYLA-FQEVSTJZSA-N 489.414 5.160 50 10 JKGE CCCOc1cccc([C@@H]2C(C#N)=C(N)Oc3c2c(CC)nn3-c2ccc(Br)cc2)c1 1865693953 NDEQPLRLIQAERX-OAQYLSRUSA-N 479.378 5.204 50 10 JKGE CCOc1ccc([C@@H]2C(C#N)=C(N)Oc3c2c(C(F)(F)F)nn3-c2cccc3ccccc23)cc1 1865694078 PEUCNIAFHLBUOH-OAQYLSRUSA-N 476.458 5.661 50 10 JKGE N#CC1=C(N)Oc2c(c(-c3ccccc3)nn2-c2ccccc2Cl)[C@@H]1c1ccc2c(c1)OCCO2 1865698584 XYPXHEDSUWXZBP-HSZRJFAPSA-N 482.927 5.182 50 10 JKGE CCc1nn(CC(C)C)c2c1[C@H](c1ccc(OCc3ccc(Cl)cc3)c(OC)c1)C(C#N)=C(N)O2 1865701003 JMYVKTOACVWVIR-XMMPIXPASA-N 493.007 5.561 50 10 JKGE CCCn1nc(C(F)(F)F)c2c1OC(N)=C(C#N)[C@H]2c1ccccc1OCc1ccccc1Cl 1865702787 FIHCOYAYRMMYNX-LJQANCHMSA-N 488.897 5.762 50 10 JKGE COc1ccc(-c2nn(Cc3ccccc3Cl)c3c2[C@H](c2ccc(F)cc2)C(C#N)=C(N)O3)cc1 1865708208 QPOIKTVOJZSAIF-HSZRJFAPSA-N 486.934 5.618 50 10 JKGE Cc1nc(-c2ccc(Cl)c(Cl)c2)ccc1C(=O)NNC(=O)COc1ccc(Cl)cc1Cl 1865759253 QAVULZRESKFSLR-UHFFFAOYSA-N 499.181 5.511 50 10 JKGE CCOC(=O)c1c(-c2ccc(Cl)cc2)csc1NC(=O)/C(C#N)=C/c1ccc(F)cc1 1866127727 CNORYMHNTMPAMA-LFIBNONCSA-N 454.910 5.930 50 10 JKGE Cc1ccc(-c2nc(CC(=O)N[C@@H](C(=O)Nc3ccc(SC#N)cc3)c3ccccc3)c(C)o2)cc1 1866651766 IEKHPWQWPPNOOR-AREMUKBSSA-N 496.592 5.570 50 10 JKGE N#CSc1ccc(Nc2cc(N3CCO[C@H](c4ccccc4)C3)nc(-c3cccnc3)n2)cc1 1868564507 BYVBSQZTMNQSCA-QHCPKHFHSA-N 466.570 5.433 50 10 JKGE CCCCCCCCCOc1ccc(/C=C(\C#N)c2nc3ccccc3n2CC)cc1Cl 1872730600 GGRWGXLSMZEIMT-RELWKKBWSA-N 450.026 7.903 50 10 JKGE COc1cc(/C=C/C(O)=C(\C#N)c2nc(-c3ccc(-c4ccccc4)cc3)cs2)cc(OC)c1OC 1872743716 IUBOUUDNZCFBGI-GNXKPCOCSA-N 496.588 7.009 50 10 JKGE COc1ccc(OC/C(O)=C(\C#N)c2nc(-c3ccc(-c4ccccc4)cc3)cs2)c(C(C)(C)C)c1 1872743833 NZINCEFNBRLJSL-PNHLSOANSA-N 496.632 7.655 50 10 JKGE COc1cccc(-c2csc(/C(C#N)=C(O)/C=C/c3cc(Br)c(OC)c(OC)c3)n2)c1 1872744273 KAESXRVFINXAMU-DGSXMXJFSA-N 499.386 6.104 50 10 JKGE CC(C)C[C@@H](/C(O)=C(\C#N)c1nc(-c2c[nH]c3ccccc23)cs1)N1C(=O)c2ccccc2C1=O 1872753474 YUOOJPKTJKNPDZ-PMKMQUDQSA-N 482.565 5.795 50 10 JKGE COc1cc(-c2csc(/C(C#N)=C(\O)Cc3ccc(Br)cc3)n2)c(OC)cc1Cl 1872755054 WGPJYBXNWFRQEA-SDXDJHTJSA-N 491.794 6.279 50 10 JKGE COc1c(Cl)cc(-c2csc(/C(C#N)=C(\O)C34CC5CC(CC(C5)C3)C4)n2)cc1Cl 1872756247 VQAIZWMWGMVWKW-PGMHBOJBSA-N 461.414 7.135 50 10 JKGE C=CCOc1ccccc1OC/C(O)=C(\C#N)c1nc(-c2ccc(OC)c(Cl)c2)cs1 1872757770 VTMSSHRFQTWWMK-MNDPQUGUSA-N 454.935 5.909 50 10 JKGE COc1ccc(-c2csc(/C(C#N)=C(\O)CCN3C(=O)c4ccccc4C3=O)n2)c2ccccc12 1872758744 ONLLIKFBGLOOON-LNVKXUELSA-N 481.533 5.451 50 10 JKGE CCCCCCOc1ccc(/C(O)=C(\C#N)c2nc(-c3ccc4ccccc4c3)cs2)cc1 1873940857 KQUYHGJQPBMEDT-RFBIWTDZSA-N 454.595 7.872 50 10 JKGE COc1cc(OC)cc([C@H](Cl)c2c(Br)sc(Br)c2Cl)c1 1923048444 HFEQSUNCWSNDDS-JTQLQIEISA-N 461.002 6.272 50 10 JKGE Clc1c(Br)sc(Br)c1[C@H](Br)C[C@@H]1C[C@H]1C1CC1 1923063529 ZTLRSIYHHVLULX-BIIVOSGPSA-N 463.460 6.799 50 10 JKGE CC(C)(C)O[C@H]1C[C@@H]([C@@H](Br)c2c(Br)sc(Br)c2Cl)C1 1923073994 FKTHSWVWTURVDA-BKPPORCPSA-N 495.502 6.956 50 10 JKGE CC(C)(CCBr)c1c(Br)sc(Br)c1Br 1924569193 RFWTYMVVRUXERN-UHFFFAOYSA-N 469.862 6.098 50 10 JKGE C[C@@H]1C[C@@H]1[C@@H]1C[C@@H]1[C@H](Cl)c1c(Br)sc(Br)c1Br 1924613604 SDSNJQDPVBPIOZ-OCHAIDQKSA-N 463.460 6.608 50 10 JKGE CCn1ncc(Br)c1[C@H](Br)c1c(Cl)sc(Br)c1Cl 1925552834 GSGADCJALLXMPH-ZCFIWIBFSA-N 497.865 6.281 50 10 JKGE Clc1sc(Br)c(Cl)c1[C@@H](Br)Cc1ccccc1Br 1925616949 GKGIAYIWTCCWAD-QMMMGPOBSA-N 493.873 7.259 50 10 JKGE Cn1ncc(Br)c1[C@H](Br)c1c(Cl)sc(Br)c1Cl 1925618554 RDWPXTOSDFVWOT-RXMQYKEDSA-N 483.838 5.798 50 10 JKGE Clc1cc([C@H](Cl)c2cccc(Br)c2Br)sc1Br 1943902322 DKROGHNYXVUHLZ-SNVBAGLBSA-N 479.846 7.017 50 10 JKGE Cc1cc([C@@H](Br)c2sc(Cl)cc2Br)ccc1Br 1948827509 AYOOEMDAMDQJSH-LLVKDONJSA-N 459.428 6.719 50 10 JKGE C[C@]1(CBr)CC[C@H](c2ccc(OCc3ccccc3)c(OCc3ccccc3)c2)O1 1989167948 XZQNFUNFZUUSKV-ZEQKJWHPSA-N 467.403 6.850 50 10 JKGE C[C@@H]1C[C@H]([C@@H](Br)c2c(Br)sc(Br)c2Cl)CCO1 2011644523 OWMHOTDRVJWXFP-ATRFCDNQSA-N 467.448 6.178 50 10 JKGE Cc1sc(Br)c([C@@H](Br)c2cccc(OCc3ccccc3)c2)c1C 2024029369 VJSSZIKCWKEJPO-IBGZPJMESA-N 466.238 7.191 50 10 JKGE COc1ccc(Br)cc1[C@@H](Br)c1cc(C)sc1Br 2039503118 NDGVYOSHEDHJGZ-GFCCVEGCSA-N 455.009 6.074 50 10 JKGE Fc1ccc([C@@H](Br)c2cc(Br)c(Cl)s2)c(F)c1Br 2052441224 DVOUIWSILWBNSO-MRVPVSSYSA-N 481.381 6.689 50 10 JKGE O=C(NCC1(CBr)CCCCC1)c1csc(Br)c1Br 2093946754 IAZPSGAZGUZOEI-UHFFFAOYSA-N 474.056 5.348 50 10 JKGE FC1(F)CCC[C@@H](Oc2c(Br)cc(Br)cc2CBr)C1 2107517794 FPTKAZGMOGHHOU-SNVBAGLBSA-N 462.954 6.063 50 10 JKGE CN(CCCn1c(CCCl)nc2cc(Cl)c(Br)cc21)Cc1ccccc1 2112699561 LLSZYJJYBCNFMP-UHFFFAOYSA-N 455.227 5.756 50 10 JKGE FC(F)c1cccc([C@@H](Cl)c2c(Br)sc(Br)c2Br)c1 2115946798 CMVFHGYWEIIMKI-SECBINFHSA-N 495.408 7.301 50 10 JKGE Cc1cc(Br)c([C@H](Br)[C@H]2CCC[C@@H]2C(C)C)cc1Br 2119979502 IQZPCGXYTIPGSQ-BFQNTYOBSA-N 453.056 7.028 50 10 JKGE CCC(CC)(CBr)CN=[S@](=O)(C(C)C)[C@@H]1CCN(C(=O)OC(C)(C)C)C1 2126848955 GGRQJBHAVQXWQK-DXPJPUQTSA-N 453.487 5.074 50 10 JKGE Cc1cc(Br)c([C@H](Br)C2(F)CC3(CCC3)C2)cc1Br 2127939627 GJMKNYYFXJBRHA-ZDUSSCGKSA-N 455.003 6.628 50 10 JKGE COC[C@H](C)CCC(CBr)(CBr)c1cccc(Br)c1 2130999363 SRIWDTGOPQKSLR-GFCCVEGCSA-N 457.044 5.539 50 10 JKGE COc1cc(Cl)c([C@H](Br)c2ccc(Br)cc2)cc1Br 2137640481 PRZLDKSIIHPLOL-CQSZACIVSA-N 469.398 6.358 50 10 JKGE CCC12COC([C@@H](Br)c3cc(Br)c(C)cc3Br)(C1)C2 2140281632 WVOICJBXQNCMIP-NFOMZHRRSA-N 453.012 5.915 50 10 JKGE C[C@]12CN(Cc3ccccc3)C[C@]1(C)CN(c1cc(Br)cc(F)c1CBr)C2 2170695304 MQRKKPJTXIHTHF-FGZHOGPDSA-N 496.262 5.832 50 10 JKGE BrC[C@@H]1CN(Cc2cc(Br)ccc2Br)CCC12CCC2 2175147066 KJNHPNJQHDGYDF-CYBMUJFWSA-N 466.055 5.599 50 10 JKGE O=C(NC[C@]1(F)CC[C@@H](CBr)CC1)c1cc(Br)sc1Br 2178588652 GCHCGKKWYPMQIB-KTLJEJPDSA-N 492.046 5.296 50 10 JKGE CC(C)(C)c1ccccc1[C@@H](Br)c1ccc(Br)cc1Br 2203686568 NYKXGKIWDBTWJW-MRXNPFEDSA-N 461.035 6.993 50 10 JKGE CC(C)[C@@H]1CCC[C@@H]1[C@H](Br)c1cc(Br)c(Br)cc1F 2225619206 FVCPRCCXHZDZQJ-YHAQOWFVSA-N 457.019 6.859 50 10 JKGE O=C(c1scc(Br)c1Br)N1CCC[C@H](CCCBr)C1 2225820254 YZUIOJCWTDXHJP-VIFPVBQESA-N 474.056 5.300 50 10 JKGE Cc1cc(Br)c([C@H](Cl)c2cccc(OCc3ccccc3)c2)c(C)c1Br 2227350938 JGDQAAYJZOXVGQ-JOCHJYFZSA-N 494.654 7.736 50 10 JKGE C[C@@]1([C@@H](Br)c2cc(Br)c(Br)cc2F)CCCCC1(F)F 2233973513 ARFDHPKPUKVRRL-STQMWFEESA-N 478.972 7.002 50 10 JKGE ClCc1nc2cc(Br)c(Br)cc2n1Cc1ccc(Br)s1 2234063025 CDOJZOKVVZTCEQ-UHFFFAOYSA-N 499.453 6.172 50 10 JKGE Cc1cc(Br)c([C@H](Br)C2(CC(F)F)CCC2)c(C)c1Br 2235621109 ZRXSPOHGZWPRSS-AWEZNQCLSA-N 475.009 7.090 50 10 JKGE Cc1sc([C@@H](Br)c2c(F)cc(F)c(Br)c2F)c(Br)c1C 2237633791 PVODXGYVLADSQB-NSHDSACASA-N 492.980 6.792 50 10 JKGE FC(F)(F)Oc1ccc(Cl)cc1[C@H](Br)c1sncc1Br 2239619339 FBZMFGLKGCGNGO-VIFPVBQESA-N 451.489 5.942 50 10 JKGE Clc1ccsc1[C@@H](Br)Cc1cc(Br)cc(Br)c1 2252777282 ABZQSIBVJMUJLE-JTQLQIEISA-N 459.428 6.605 50 10 JKGE CC1(C)CCC[C@H]([C@@H](Br)Cc2cc(Br)cc(Br)c2)C1 2277966540 UDVRKKOCAHCDRL-WFASDCNBSA-N 453.056 6.734 50 10 JKGE CCOCc1cc(Br)c([C@@H](Cl)c2c(F)cccc2I)s1 2282888380 NZOZLAOJHUCRJL-ZDUSSCGKSA-N 489.575 6.119 50 10 JKGE Cc1cc(Br)c(CBr)c(OCc2cccc(Br)c2C)c1 2283669691 PVRDPMWWZNHEOC-UHFFFAOYSA-N 463.007 6.302 50 10 JKGE Fc1cccc([C@H](Br)c2c(F)cc(Br)c(F)c2Br)c1F 2288492986 NFYOYYFKTKIRDU-JTQLQIEISA-N 476.887 6.252 50 10 JKGE Cc1ccc(N2C(=O)[C@@H](Cc3ccc(Cl)cc3)SC2=C(C#N)C(=O)Nc2ccccc2)cc1 2293038901 GESKCNIVNAMZBF-HSZRJFAPSA-N 473.985 5.713 50 10 JKGE CCOc1cc(C=C(C#N)C(=O)Nc2ccc(C)cc2)ccc1OCc1ccc(C(=O)O)cc1 2295165119 DIBJRNKXEFNFNC-UHFFFAOYSA-N 456.498 5.217 50 10 JKGE Cc1c(F)ccc([C@@H](Br)Cc2cc(Br)cc(Br)c2)c1F 2295279895 UGDHYDIGPHTWKC-ZDUSSCGKSA-N 468.961 6.477 50 10 JKGE COc1ccc(-c2csc(C(C#N)=CNc3ccc(Cl)cc3C(=O)c3ccccc3)n2)cc1 2295948624 XYRQCAUYYJKKTN-UHFFFAOYSA-N 471.969 6.680 50 10 JKGE COc1cc(C=C(C#N)c2nc(-c3ccc(F)cc3)cs2)ccc1OCC(=O)c1ccccc1 2296763992 UMSWUEBXBZUAHQ-UHFFFAOYSA-N 470.525 6.284 50 10 JKGE Cc1ccc2nc(Cl)c(C=C(C#N)c3nc(-c4ccc(-c5ccccc5)cc4)cs3)cc2c1 2297449643 SOZXCUHLOSWLDO-UHFFFAOYSA-N 463.993 8.051 50 10 JKGE Clc1cc(I)c([C@@H](Cl)c2cccc(Br)c2Cl)s1 2300956202 WVPFBDHDUSXTAL-JTQLQIEISA-N 482.395 6.750 50 10 JKGE Cc1sc(Br)cc1[C@@H](Cl)c1c(Br)c(Br)nn1C 2301045055 YOSDPMWRYHHPOM-MRVPVSSYSA-N 463.420 5.406 50 10 JKGE CCOc1cc(C=C(C#N)c2ccc(C)cc2)cc(Br)c1OCc1ccc([N+](=O)[O-])cc1 2313521367 JFFDXLRINQOBMG-UHFFFAOYSA-N 493.357 6.708 50 10 JKGE CCOc1cc(C=C(C#N)C(=O)Nc2ccccc2)cc(Cl)c1OCc1cccc2ccccc12 2313541124 UTKNQKOHKUVBQB-UHFFFAOYSA-N 482.967 7.017 50 10 JKGE N#CC(=Cc1cccn1-c1ccc(Br)cc1)C(=O)Nc1cccc(Br)c1 2313562092 CYWNLRZAXPSCRC-UHFFFAOYSA-N 471.152 5.548 50 10 JKGE N#CC(=Cc1cc(Br)ccc1OCc1ccc(Cl)c(Cl)c1)C(=O)NC1CCCC1 2313676569 DXHMPUZYTMFWLJ-UHFFFAOYSA-N 494.216 6.301 50 10 JKGE Cc1ccc(Cl)cc1NC(=O)C(C#N)=Cc1cccc(OCc2ccc(Br)cc2)c1 2313738554 HFGIZVPLOSXPFL-UHFFFAOYSA-N 481.777 6.536 50 10 JKGE Fc1cc(Cl)c(Br)c(Cl)c1[C@@H](Br)c1cscc1Cl 2313827227 PWDMCPLGUVPPFI-VIFPVBQESA-N 453.385 7.094 50 10 JKGE Brc1cc(OCc2ccccc2)ccc1[C@H](Br)[C@]12CCCC[C@H]1CC2 2314449047 MTBCPDKGNLTXFY-HSQYWUDLSA-N 464.241 7.435 50 10 JKGE Brc1ccc(OCc2ccccc2)c([C@H](Br)[C@@]23CCCC[C@H]2CC3)c1 2314455806 RROHPUZAQKEVDI-BULFRSBZSA-N 464.241 7.435 50 10 JKGE CCn1ncc(Br)c1[C@H](Cl)c1ccc(OCc2ccccc2)cc1Br 2314503191 PSWAAIYKIVQVFO-GOSISDBHSA-N 484.619 6.335 50 10 JKGE CCCCCCOc1ccc(C=C2C(=O)N([C@H](C)c3ccccc3)C(=O)C(C#N)=C2C)cc1OC 2314618102 HILOEDASXYHJPJ-OAQYLSRUSA-N 472.585 6.008 50 10 JKGE Cc1cc([C@H](Br)c2c(Cl)cc(Br)c(F)c2Br)cs1 2315451471 PLXAUHLUPATDEO-JTQLQIEISA-N 477.418 6.858 50 10 JKGE C[C@@H]1CC[C@](C)([C@H](Br)c2sc(Cl)cc2I)C1(C)C 2316607945 WXZJPIOBNZPJDK-IHPUGEDLSA-N 461.634 6.905 50 10 JKGE CC(C)(C)OC(=O)N1CCC(CI)(OC[C@@H]2CC[C@H]2C(C)(C)C)CC1 2320183327 WMSDIYZXBVJRIX-JKSUJKDBSA-N 465.416 5.280 50 10 JKGE Cc1cc(-c2csc(C(C#N)=C(O)CCCN3C(=O)c4ccc([N+](=O)[O-])cc4C3=O)n2)ccc1F 2331322464 AMMPMTGMEHZARJ-UHFFFAOYSA-N 492.488 5.035 50 10 JKGE CCCCc1ccc(N2C[C@H](C(O)=C(C#N)c3nc(-c4ccc5c(c4)OCO5)cs3)CC2=O)cc1 2331335868 UZGVMZZBIAFDJF-LJQANCHMSA-N 487.581 5.727 50 10 JKGE CCOc1ccc(CCC(O)=C(C#N)c2nc(-c3ccc(OC)c4ccccc34)cs2)cc1OC 2331408216 JCQBNLLIDLTZGZ-UHFFFAOYSA-N 486.593 6.805 50 10 JKGE CCCCCCCOc1ccc(-c2csc(C(C#N)=Cc3cccc(OC)c3OCCC)n2)cc1 2331459683 JKNVBQKHGUIHDV-UHFFFAOYSA-N 490.669 8.021 50 10 JKGE Brc1cc(OCc2ccccc2)ccc1[C@@H](Br)C1C[C@H]2CCC[C@H](C1)C2 2336047778 OONZAMBAJDHYFR-BSRJHKFKSA-N 478.268 7.681 50 10 JKGE Clc1ccc(C[C@@]2(CBr)CCO[C@H]2C2CC2)cc1I 2337224922 FZBDFDBUYXDOCF-LSDHHAIUSA-N 455.561 5.067 50 10 JKGE COc1c(Br)cc(C)c([C@@H](Cl)c2nscc2Br)c1Br 2339638838 FSDGJIVDBAHTSO-SNVBAGLBSA-N 490.442 6.076 50 10 JKGE COc1c(Br)cc(C)c([C@@H](Br)c2ccsc2Cl)c1Br 2339639920 RVNJNBYVYXMDOX-JTQLQIEISA-N 489.454 6.728 50 10 JKGE Cc1cc(Br)c(F)c(Br)c1[C@H](Br)[C@@H]1C[C@@H]2C[C@@H]2CO1 2339648583 MUJAPGCTFRYBBE-RBPQBLHMSA-N 456.975 5.520 50 10 JKGE Brc1cocc1[C@H](Br)c1cc2c(cc1Br)OCCC2 2343589815 ZYNNSRWVKGVWOA-CQSZACIVSA-N 450.952 5.614 50 10 JKGE CC(C)(C)Oc1ccc([C@H](Br)C2CC(Br)C2)cc1Br 2353076635 PNTFZVGDMYZBPG-MGULZYLOSA-N 455.028 6.236 50 10 JKGE Cc1cc(Br)c(C)c([C@H](Br)[C@@H]2CC[C@@H]3C[C@H]2CO3)c1Br 2359120120 JMNLAQUIYVUKAG-XSUJLISDSA-N 467.039 6.080 50 10 JKGE COC[C@@]1([C@H](Cl)c2c(Cl)cc(Br)c(F)c2Br)CCCO1 2362237919 UBXXWAIBBWAXKS-CHWSQXEVSA-N 450.957 5.480 50 10 JKGE Cc1cc(Br)c(F)c(Br)c1[C@H](Br)[C@@H]1CC[C@H]2C[C@@H]1CO2 2365189946 ZURMQUKFYNYGSB-BSTOTGJRSA-N 471.002 5.910 50 10 JKGE COc1c(Br)cc(C)c([C@@H](Br)C2CCC(F)CC2)c1Br 2365238709 ZBONDSFGILYLRO-ZPPKWKGLSA-N 473.018 6.493 50 10 JKGE CC(C)(C)Oc1ccc([C@H](Br)c2csc(Br)c2)cc1Br 2381301891 LXTSIZWGVWVIPV-AWEZNQCLSA-N 483.063 6.935 50 10 JKGE N#C/C(=C/c1cn(Cc2ccccc2)c2ccccc12)C(=O)Nc1nc(-c2cccs2)cs1 3207703 NHVIGWPYBVXDJQ-UYRXBGFRSA-N 466.591 6.420 50 10 JKGE CC[C@@H](Oc1ccc(-c2ccccc2)cc1)C(=O)NNC(=O)COc1ccc(Cl)cc1Cl 14768452 LYBZUCDMUATFLC-OAQYLSRUSA-N 473.356 5.044 50 10 JKGE CC[C@@H](C)c1ccc(OCC(=O)NNC(=O)[C@H](C)Oc2ccc3ccccc3c2)c(Br)c1 14832356 GBRPKVRTVAIGKQ-SJORKVTESA-N 499.405 5.110 50 10 JKGE CCCc1nn(-c2ccccc2)c2c1[C@H](c1c(Cl)cccc1Br)C(C#N)=C(N)O2 16754077 LPIGPTKUWABGRA-SFHVURJKSA-N 469.770 5.459 50 10 JKGE N#CC1=C(N)Oc2[nH]nc(-c3ccc(Cl)c(Cl)c3)c2[C@H]1c1ccc(C(F)(F)F)cc1 27548082 UCRBYTRDMJOHIQ-HNNXBMFYSA-N 451.235 5.620 50 10 JKGE CC(C)OC(=O)Oc1ccc(/C=C(C#N)\C(C#N)=C/c2ccc(OC(=O)OC(C)C)cc2)cc1 33716731 VWZUTFNCBGWYMX-JZTLMNBPSA-N 460.486 6.048 50 10 JKGE CCCCc1nc(N2CCN(C(=O)[C@@H](Cl)c3ccccc3)CC2)c2c3c(sc2n1)CCCC3 35865022 MTJORWAXXAJVCM-QHCPKHFHSA-N 483.081 5.541 50 10 JKGE CC1=C(C#N)C(=O)N(Cc2ccc(C)cc2)C(=O)/C1=C/c1ccc(OCc2ccccc2Cl)cc1 38608468 YWUQLFIAMZDETO-MFKUBSTISA-N 482.967 6.020 50 10 JKGE CCCOc1ccc(C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@H]3c2ccc(C(C)(C)C)cc2)cc1 38649777 HOVONQKFZUPAOT-MHZLTWQESA-N 482.580 6.210 50 10 JKGE CCOc1ccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)COc4ccc(Cl)c(C)c4)ccc32)cc1 38685867 NYXNDNUVMPXCEW-AREMUKBSSA-N 490.943 5.250 50 10 JKGE Cc1cc(C)cc(Oc2nc3c(C)cccn3c(=O)c2/C=C(\C#N)C(=O)Nc2ccc(F)cc2)c1 39993049 VSJWGRYLJMEBPL-XMHGGMMESA-N 468.488 5.097 50 10 JKGE Cc1ccccc1C(=O)N/N=C1\CCCc2oc(C(=O)Nc3cccc4ncccc34)c(C)c21 40811570 GPTKIDDHEUVGOX-JBASAIQMSA-N 452.514 5.167 50 10 JKGE Cc1ccc2c(CC(=O)N/N=C3\CCCc4oc(C(=O)NCCC(C)C)c(C)c43)coc2c1C 40826784 FIJOQMWGWUTVKI-XHLNEMQHSA-N 463.578 5.126 50 10 JKGE CCOc1ccc(N(C(=O)/C(C#N)=C/c2ccccc2OC)S(=O)(=O)c2ccc(Cl)cc2)cc1 40977767 JFQZYLXYDSLHSW-KNTRCKAVSA-N 496.972 5.076 50 10 JKGE COC(=O)c1cccc(Cn2cc(/C=C(\C#N)C(=O)Nc3ccc(F)cc3)c3ccccc32)c1 59116838 CNDNUGWLGVLNJE-XSFVSMFZSA-N 453.473 5.161 50 10 JKGE N#C/C(=C\c1cccc(OCc2cccc(Cl)c2)c1)C(=O)Nc1cccc(C(F)(F)F)c1 59266450 XIAVTOXLEWHLSP-VCHYOVAHSA-N 456.851 6.483 50 10 JKGE COC(=O)c1ccccc1NC(=O)/C(C#N)=C\c1ccc(OCc2ccccc2Cl)c(Cl)c1 98010051 VNVUIZQPAIOKBO-PDGQHHTCSA-N 481.335 5.905 50 10 JKGE ClCc1nc2ccc(Br)cc2n1-c1ccc(Br)cc1Br 115770693 WAORXHXDUGVAHM-UHFFFAOYSA-N 479.397 6.052 50 10 JKGE Cc1c(Br)cccc1[C@H](Br)c1cc2[nH]c(=O)[nH]c2cc1Br 115983770 NSNOQAZIZBDXLG-AWEZNQCLSA-N 474.978 5.174 50 10 JKGE Cc1cc([C@@H](Cl)c2cc(Br)c(Br)s2)sc1Br 128146690 YAYOGMRYSZXDLY-MRVPVSSYSA-N 465.457 6.734 50 10 JKGE COc1cc(OC)c([C@H](Cl)c2cc(Br)c(Br)s2)cc1OC 128288694 WOPGYWHOJAJWDB-ZDUSSCGKSA-N 456.583 5.627 50 10 JKGE CCCCNC(=O)/C(C#N)=C\c1ccc(OC(=O)/C(=C/c2ccccc2)c2ccccc2)c(OC)c1 207112672 PNOMHEIUJNLAIY-BCRMPINCSA-N 480.564 5.665 50 10 JKGE Fc1ccc(C(F)(F)F)cc1[C@@H](Br)c1cc(Br)c(Cl)s1 227848570 JPWWJTLNYYZUHI-SNVBAGLBSA-N 452.492 6.806 50 10 JKGE CC[C@@H](C)c1ccc([C@@H](Br)c2ccc(I)c(Cl)c2)cc1 232342867 ZVNWUAUYGFAFKT-PIGZYNQJSA-N 463.584 6.942 50 10 JKGE Brc1ccc([C@@H](Br)Cc2nc3ccccc3o2)c(Br)c1 232478165 MPAIQZREKBYGAX-LBPRGKRZSA-N 459.963 6.032 50 10 JKGE COc1cc(F)c(Br)cc1[C@H](Br)c1cc(F)ccc1Br 234913417 AJDZTHHABLTYJY-CQSZACIVSA-N 470.933 5.983 50 10 JKGE COc1cc(C=NNC(=O)c2cccc([N+](=O)[O-])c2)cc(Cl)c1OCc1ccccc1Cl 252590404 ASWJGKONRUTDKT-UHFFFAOYSA-N 474.300 5.253 50 10 JKGE CCn1c2ccccc2c2cc(NC(=O)CC(C)=NNC(=O)Cc3ccc(Cl)cc3)ccc21 252624255 PKEZZXUKXVGOGX-UHFFFAOYSA-N 460.965 5.531 50 10 JKGE Cc1cc([N+](=O)[O-])ccc1-n1c(C)cc(C=NNC(=O)Cc2cccc(C(F)(F)F)c2)c1C 254392620 UPRLOMROVYOVLI-UHFFFAOYSA-N 458.440 5.022 50 10 JKGE COc1ccc(/C=C\C(=O)Oc2cccc(C=NNC(=O)CNc3cccc4ccccc34)c2)cc1 254843523 YYPARWHQKFTRGN-JHITWWFISA-N 479.536 5.029 50 10 JKGE BrCc1ccc(N2CCC3(CCN(Cc4ccccc4)CC3)C2)c(Br)c1 312009059 WAUIBRMLWAQNGH-UHFFFAOYSA-N 478.272 5.837 50 10 JKGE BrCc1cc(Br)cc(Br)c1OC[C@@H]1Cc2ccccc21 380504724 OHYMJFDUUQSZAP-LBPRGKRZSA-N 460.991 5.825 50 10 JKGE CC(C)(C)[Si](C)(C)OCCc1ccccc1C1CCN(S(=O)(=O)c2ccccc2)CC1 616620488 OERXMCPQNPJCOR-UHFFFAOYSA-N 459.728 5.819 50 10 JKGE CN(C(=O)OC(C)(C)C)c1ccccc1[C@H]1COCCN1CCO[Si](C)(C)C(C)(C)C 616640428 XYDMEWALWUDXPN-OAQYLSRUSA-N 450.696 5.453 50 10 JKGE ClCCc1nc2cc(Cl)ccc2n1CC1(N(Cc2ccccc2)Cc2ccccc2)COC1 705784336 VYKLPFXLBGNTOH-UHFFFAOYSA-N 480.439 5.942 50 10 JKGE Fc1cc(Cl)c([C@@H](Cl)c2ccc(I)c(Br)c2)cc1F 721600584 CMZSYKAQNHAHHI-ZDUSSCGKSA-N 477.901 6.314 50 10 JKGE Cc1sc(C)c([C@@H](Br)c2ccc(I)c(Cl)c2)c1C 722487606 RABOZGJMHDNPAB-AWEZNQCLSA-N 455.586 6.416 50 10 JKGE CCc1ccc(NC(=O)/C(C#N)=C\c2cc(Cl)ccc2OCc2ccccc2Cl)cc1 1084144768 RSYRITBTEGMMFZ-MOSHPQCFSA-N 451.353 6.680 50 10 JKGE Cc1ccc(C(=O)NN=C2CCCc3oc(C(=O)Oc4ccc(Cl)c(C)c4)c(C)c32)cc1 1772744886 MYTQYEIFADARPU-UHFFFAOYSA-N 450.922 5.548 50 10 JKGE Cc1ccc(C)c(Cn2nc(C(F)(F)F)c3c2OC(N)=C(C#N)[C@@H]3c2ccc(Cl)cc2Cl)c1 1865684914 AVDQEOUTZSNMKA-SFHVURJKSA-N 493.316 6.092 50 10 JKGE CCCc1nn(-c2cccc3ccccc23)c2c1[C@H](c1cc(Cl)ccc1O)C(C#N)=C(N)O2 1865689132 KUXRJSFVNIBGNB-HSZRJFAPSA-N 456.933 5.555 50 10 JKGE CCCc1nn(Cc2ccccc2Cl)c2c1[C@H](c1ccc(Cl)c([N+](=O)[O-])c1)C(C#N)=C(N)O2 1865706395 VSHCXTZENONLIG-HXUWFJFHSA-N 484.343 5.317 50 10 JKGE CCOc1cc(NC(=O)c2ccccc2)c(OCC)cc1NC(=O)/C(C#N)=C/c1ccc(F)cc1 1866127600 TUEBDYHKKVCOBY-XSFVSMFZSA-N 473.504 5.421 50 10 JKGE CC[C@@H](NC(=O)C[C@@H](c1ccc(F)cc1)c1cccc(F)c1)C(=O)Nc1ccc(SC#N)cc1 1866780219 IJEOGPLFNVDRSW-BJKOFHAPSA-N 479.552 5.593 50 10 JKGE Cc1ccc(C(=O)CCC(=O)N[C@H](C(=O)Nc2ccc(SC#N)cc2)c2ccccc2)c(C)c1 1867090402 FECVKNJAOIPEJJ-SANMLTNESA-N 471.582 5.336 50 10 JKGE C[C@@H]1CN(c2cc(Nc3ccc(SC#N)cc3)nc(C(C)(C)C)n2)C[C@H](c2ccc(F)cc2)O1 1868342547 VRNKHAKBCNABRT-VGOFRKELSA-N 477.609 6.196 50 10 JKGE CC(C)(C)c1nc(Nc2ccc(SC#N)cc2)cc(N2C[C@H](c3ccccc3)Cc3ccccc32)n1 1868342732 YJXQIEHYGTUSKV-HSZRJFAPSA-N 491.664 7.569 50 10 JKGE COc1cccc(/C=C(\C#N)c2nc3ccccc3[nH]2)c1OCc1ccc(Br)cc1 1872726799 LVOQJHREWGGLJI-QGOAFFKASA-N 460.331 5.977 50 10 JKGE N#C/C(=C(/O)c1ccc(N2CCOCC2)c([N+](=O)[O-])c1)c1nc(-c2cccc(Cl)c2)cs1 1872747988 BOZPHKUBGNMAHJ-FXBPSFAMSA-N 468.922 5.158 50 10 JKGE COc1ccc(OC/C(O)=C(\C#N)c2nc(-c3ccc(Cl)c(Cl)c3)cs2)c(C(C)(C)C)c1 1872749019 XQGWPLSCLSANNF-PGMHBOJBSA-N 489.424 7.295 50 10 JKGE N#C/C(=C(/O)Cc1ccc(Br)cc1)c1nc(-c2ccc3c(c2)OCCO3)cs1 1872751071 SKQDSDNFJXQROZ-VLGSPTGOSA-N 455.333 5.379 50 10 JKGE COc1ccc(-c2csc(/C(C#N)=C(\O)[C@H](C)Oc3ccc(Cl)cc3Cl)n2)c(OC)c1 1872755517 RFMFVQPZZQEDEA-SOFNNGJSSA-N 477.369 6.394 50 10 JKGE COc1cc(OC)c(-c2csc(/C(C#N)=C(O)/C=C/c3ccc(C(C)C)cc3)n2)cc1Cl 1872756710 WTOZIIHHRPNWHM-OCEZQBILSA-N 466.990 7.110 50 10 JKGE Brc1cc([C@H](Br)[C@H]2C[C@H](Br)C2)c(Br)s1 1893087766 FFKMHWPEBQIRIN-OKMMGKLZSA-N 467.846 5.883 50 10 JKGE CC[C@@H](Br)CN(Cc1ccccc1)C(=O)c1ccc(OCc2ccccc2)cc1 1915099008 NVKGWXSHYPBOJF-HSZRJFAPSA-N 452.392 6.082 50 10 JKGE CC[C@@H](Br)CN(Cc1ccccc1)C(=O)c1cc(C(F)(F)F)ccc1Br 1915099196 PTKGAKAYZRKXFZ-OAHLLOKOSA-N 493.161 6.284 50 10 JKGE CC(C)[C@@H](CCl)N(Cc1ccccc1)C(=O)c1c(Br)cccc1Br 1915286478 WYBQRKLKGVVMRE-QGZVFWFLSA-N 473.636 6.117 50 10 JKGE Cl[C@@H](c1ccccc1I)c1sc(Br)cc1Br 1922931951 HNQVEEOKSKOZMV-JTQLQIEISA-N 492.401 6.206 50 10 JKGE CC[C@@H](C[C@H](Br)c1c(Br)sc(Br)c1Cl)C(C)(C)C 1923061097 HRSLWWROVXACBH-YUMQZZPRSA-N 481.519 7.825 50 10 JKGE Cc1sccc1[C@@H](Cl)c1c(Br)sc(Br)c1Br 1924572472 YUIVQXBMSBWDSR-MRVPVSSYSA-N 465.457 6.734 50 10 JKGE CC1(C)C[C@H]1CC[C@H](Cl)c1c(Br)sc(Br)c1Br 1924615035 VNIXYADHQNJSMK-RQJHMYQMSA-N 465.476 7.142 50 10 JKGE CC(C)(C)c1ccccc1[C@@H](Br)c1c(Cl)sc(Br)c1Cl 1925600547 RWAOGOUGMGKFRO-LLVKDONJSA-N 457.058 7.599 50 10 JKGE CO[C@@H]1C[C@]2([C@@H](Br)c3c(Br)sc(Br)c3Cl)C[C@H]12 1951245770 JWTAUHFPIHSMTJ-AFEYRNFISA-N 465.432 5.788 50 10 JKGE CCCOc1ccc(Br)cc1C[C@@H](CBr)NC(=O)OC(C)(C)C 1984039325 HWJCZZNGVMXJLF-AWEZNQCLSA-N 451.199 5.069 50 10 JKGE Brc1ccc([C@H](Br)c2sncc2Br)c(Br)c1 1994121541 BGLVQEWTUQXPRR-VIFPVBQESA-N 490.840 5.915 50 10 JKGE Brc1ccc([C@@H](Br)c2ccc(Br)o2)c(Br)c1 1994135625 PVRQWKRXYKVSEQ-LLVKDONJSA-N 473.784 6.051 50 10 JKGE CCN(C[C@](C)(CI)OCC[C@@]12CCC[C@H]1C2)C(=O)OC(C)(C)C 2011684294 DUTKTBJWDIBRGA-ZYSHUDEJSA-N 451.389 5.034 50 10 JKGE CO[C@@H]1CC[C@@H]1C[C@H](Br)c1c(Br)sc(Br)c1Cl 2013839203 PLUZEHQAPAZKCJ-DSYKOEDSSA-N 467.448 6.178 50 10 JKGE Cc1cc(Cl)c([C@H](Br)c2csc(I)c2)cc1Cl 2023203431 YJDXBTZVEDNGOP-GFCCVEGCSA-N 461.977 6.452 50 10 JKGE Cc1cc([C@H](Br)c2cc(Br)sc2C)ccc1I 2026133706 VZKABWXGFUULCV-ZDUSSCGKSA-N 486.010 6.216 50 10 JKGE CCc1cc(Br)c([C@@H](Br)c2cccc(Br)c2Cl)s1 2029233782 XIHPUACFVRARQJ-NSHDSACASA-N 473.455 6.973 50 10 JKGE Fc1cc(Cl)c(Br)cc1[C@@H](Br)c1ccccc1OCc1ccccc1 2036575757 HRSSYMQAPALWSH-FQEVSTJZSA-N 484.590 7.305 50 10 JKGE CC(C)(C)[C@H](C[C@H](Br)c1sc(Br)cc1Br)C(F)F 2048744199 MUTXUNFOLSLKFJ-RQJHMYQMSA-N 469.027 7.027 50 10 JKGE Cc1cc(Cl)c(Br)cc1[C@H](Br)c1cc(C)c(Br)o1 2082389694 MBRLVMYFJORXEX-LBPRGKRZSA-N 457.387 6.559 50 10 JKGE Cc1sc(Br)cc1[C@@H](Br)c1csc2c(Br)cccc12 2095699793 RWUBIPIXWKPTFB-CYBMUJFWSA-N 481.072 7.281 50 10 JKGE C[C@H](Cl)c1nc2cc(I)c(F)cc2n1[C@@H]1CC[C@@H]1OCc1ccccc1 2100140112 YXKLOPOTGBKMML-WILYLXEWSA-N 484.740 6.000 50 10 JKGE CO[C@@H]1CC([C@@H](Cl)c2c(Br)sc(Br)c2Cl)C[C@H]1OC 2118271422 ORKGHWVSWAVOLK-ZXFLCMHBSA-N 453.023 5.646 50 10 JKGE CCC[C@@H](Br)c1cn(Cc2c(Br)cccc2Br)nn1 2121069279 YVZHYLJENSWUMP-GFCCVEGCSA-N 451.988 5.088 50 10 JKGE CC12CCC([C@@H](Cl)c3c(Br)sc(Br)c3Br)(CC1)CO2 2133547192 DPLXSLRKSHWOHR-ALXWSUNGSA-N 493.486 6.665 50 10 JKGE Clc1ccc(C[C@@H](CBr)Cc2ccccc2Br)c(Br)c1 2144777487 UHMTXSBVGPYNFZ-NSHDSACASA-N 481.453 6.661 50 10 JKGE CCC(C)(C)c1ccc([C@H](Br)c2csc(Br)c2Br)cc1 2150342557 XDRUHGKYEJDADA-ZDUSSCGKSA-N 481.091 7.445 50 10 JKGE Cc1cc(Br)c([C@H](Br)[C@H]2C(F)(F)C23CCCC3)cc1Br 2153707456 HMMDHZUGICTMQU-QWHCGFSZSA-N 472.993 6.782 50 10 JKGE CC(C)(C)[C@@H]1C[C@@H](CBr)CN(C(=O)c2cscc2OCc2ccccc2)C1 2165003426 VZWMUTZNCIQDMN-ZWKOTPCHSA-N 450.442 5.846 50 10 JKGE N#Cc1cc(Br)ccc1Oc1cc(Br)cc(F)c1CBr 2170690353 CFYLUNVDZGTSRA-UHFFFAOYSA-N 463.926 5.910 50 10 JKGE Clc1sc([C@H](Cl)c2cc(Br)c3c(c2)CCCO3)cc1Br 2172560773 UEZJFFHAIRYLQR-GFCCVEGCSA-N 457.014 6.580 50 10 JKGE FC(F)(F)c1ccc([C@H](Cl)c2sc(Br)cc2Br)c(Cl)c1 2179258248 BVBPROWGBCPBGX-JTQLQIEISA-N 468.947 7.274 50 10 JKGE CO[C@]1(C(F)(F)F)C[C@H]([C@H](Cl)c2c(Br)sc(Br)c2Cl)C1 2182022107 OERRDNVAQCMGBI-DMXGEVFUSA-N 476.967 6.564 50 10 JKGE COc1cc(C)c([C@H](Cl)c2cc(Br)ccc2Br)cc1Br 2198733266 UHSABTIHNZNAOQ-HNNXBMFYSA-N 483.425 6.619 50 10 JKGE Brc1ccc(CN2CCCC23CCC(Br)CC3)c(Br)c1 2202273704 LCJPNJSNEIFRSG-UHFFFAOYSA-N 466.055 5.884 50 10 JKGE Cc1cc(Br)c([C@H](Br)[C@H]2C[C@H]3COC[C@H](C3)C2)cc1Br 2206761172 OYSOWYRWXZWZNF-AZKPJATDSA-N 467.039 6.019 50 10 JKGE C[C@H](Cl)C[C@@H]1CCCCN1C(=O)c1ccc(Br)cc1I 2207267498 GEKFLWMSXAOWMT-JQWIXIFHSA-N 470.576 5.066 50 10 JKGE CCc1ccc(CC)c([C@@H](Cl)c2ccc(Br)cc2I)c1 2207271053 FTNJKEUVGOXZGI-KRWDZBQOSA-N 463.584 6.507 50 10 JKGE Cc1ccc([C@H](Br)c2c(C)sc(Br)c2C)cc1Br 2218801457 VBAWEHDCDCJRLV-ZDUSSCGKSA-N 453.037 6.683 50 10 JKGE Cc1cc(Br)c([C@@H](Cl)c2ccc(Br)s2)c(C)c1Br 2220158841 XOKZRIRXDPHWAR-ZDUSSCGKSA-N 473.455 6.981 50 10 JKGE Cc1c(F)ccc([C@H](Br)c2cc(Cl)ccc2I)c1F 2231080061 QJORAWUGAMOGAW-ZDUSSCGKSA-N 457.483 6.016 50 10 JKGE Fc1cc(Br)ccc1[C@H](Cl)c1c(Br)cc(Cl)c(Cl)c1Cl 2232509525 CUFRFORSOQKGOR-NSHDSACASA-N 481.801 7.639 50 10 JKGE C[C@H](Cl)c1nc2c(F)cc(Br)cc2n1[C@@H]1CCN(Cc2ccccc2)[C@H]1C 2232915905 JKDDBJNHABUAKQ-SUNYJGFJSA-N 450.783 6.073 50 10 JKGE CCC[C@H](CC(C)C)[C@H](Br)c1c(Br)cc(C)c(Br)c1C 2235607087 FKJPVROQJADTKJ-DYVFJYSZSA-N 469.099 7.727 50 10 JKGE O=C(Nc1ccc(Cl)cc1CBr)c1cc(Cl)ccc1I 2239462837 LYNQKYQKVQOWRZ-UHFFFAOYSA-N 484.946 5.745 50 10 JKGE Cc1sc(Br)c(C)c1[C@@H](Br)c1cccc(Cl)c1Br 2256136412 KJSNWJJTYZMTRH-LBPRGKRZSA-N 473.455 7.028 50 10 JKGE FC(F)(F)C1([C@@H](Br)Cc2cc(Br)cc(Br)c2)CC1 2263511667 YETGYBZLQXKXQD-JTQLQIEISA-N 450.918 5.860 50 10 JKGE COc1ccc([C@@H](Cl)c2ccccc2OCc2ccccc2)c(Br)c1Cl 2268258261 CYCPLBNDGJIBRX-FQEVSTJZSA-N 452.175 7.018 50 10 JKGE Fc1cc(Br)c(F)c(Br)c1[C@H](Br)[C@@H]1[C@H]2[C@H]3C[C@@H]1C[C@H]32 2272848333 UZOWMMGMHSMECR-NWBCHXSASA-N 456.950 5.828 50 10 JKGE Clc1cccc(Br)c1[C@@H](Cl)Cc1cc(Br)cc(Br)c1 2277954611 DXCFYIPNVWCEMI-ZDUSSCGKSA-N 487.844 7.150 50 10 JKGE Cc1ccccc1C[C@H]1SC(=C(C#N)C(=O)Nc2ccc(Cl)cc2)N(c2ccc(F)cc2)C1=O 2293198191 GTWDTRRZWTWDRP-HSZRJFAPSA-N 491.975 5.853 50 10 JKGE CCCCCCCCC[C@@H](Br)Cc1cc(Br)cc(Br)c1 2295337887 PGFLHNOAUAMYNM-OAHLLOKOSA-N 469.099 7.658 50 10 JKGE N#CC(=Cc1cn(Cc2cccc(C(F)(F)F)c2)c2ccccc12)C(=O)Nc1ccccc1[N+](=O)[O-] 2295422607 LNNXPIMNWPBRJX-UHFFFAOYSA-N 490.441 6.162 50 10 JKGE Cc1cccc(Oc2nc3c(C)cccn3c(=O)c2C=C(C#N)S(=O)(=O)c2ccc(Cl)cc2)c1 2296542838 ZYHIVNVEIWMLPY-UHFFFAOYSA-N 491.956 5.095 50 10 JKGE Brc1ccc(OCc2ccccc2)c([C@@H](Br)[C@@H]2C[C@H]3CC[C@H]2O3)c1 2299500690 HZWDGXBFVMWZMB-RARDXLECSA-N 452.186 6.032 50 10 JKGE C[C@H](CC(F)(F)F)[C@@H](Br)c1cc(Br)ccc1OCc1ccccc1 2299502810 ZVFNJAMKOQJPEC-SJKOYZFVSA-N 466.135 7.053 50 10 JKGE Brc1cc(OCc2ccccc2)ccc1[C@H](Br)[C@@H]1C[C@@]12CCOC2 2299506557 BHQHWKMEFVVQPJ-YSIASYRMSA-N 452.186 5.891 50 10 JKGE COCC1(C[C@@H](Br)c2ccc(OCc3ccccc3)cc2Br)CC1 2299535025 KNOKBIVQPRBVEI-LJQANCHMSA-N 454.202 6.281 50 10 JKGE Brc1cc(CC[C@H](Br)C2CCCC2)ccc1I 2306209005 ASMXDPDBDCUESL-LBPRGKRZSA-N 472.002 5.940 50 10 JKGE Cc1c(Cl)cccc1NC(=O)C(C#N)=Cc1cc(Cl)ccc1OCc1ccccc1Cl 2313676694 UJWCGTPMEMZPRQ-UHFFFAOYSA-N 471.771 7.080 50 10 JKGE N#CC(=Cc1ccc(-c2cc(Cl)cc(Cl)c2)o1)c1nc(-c2ccc(Cl)cc2)cs1 2314480966 ZLMYJDBJVZOQIE-UHFFFAOYSA-N 457.769 8.094 50 10 JKGE Brc1ccc(OCc2ccccc2)c([C@H](Br)C[C@@H]2CCC[C@H]3C[C@@H]32)c1 2314493385 ZQTIJQPBGOGIAP-MEZWHVQBSA-N 464.241 7.290 50 10 JKGE Cc1ccccc1NC(=O)C(C#N)=C1S[C@H](Cc2ccc(F)cc2)C(=O)N1c1ccc(C(C)C)cc1 2314592342 RKHABLFBRCDEQK-AREMUKBSSA-N 499.611 6.323 50 10 JKGE Cc1ccc(N2C(=O)[C@H](Cc3ccc(F)cc3)SC2=C(C#N)C(=O)NCc2ccccc2)cc1C 2314593985 XALBWJIPMVLYHG-VWLOTQADSA-N 485.584 5.185 50 10 JKGE CC1=C(C#N)C(=O)N(CCc2ccccc2)C(=O)C1=Cc1ccc(OCc2ccc(Cl)cc2)cc1 2314616547 DFXULNIQWZGYTQ-UHFFFAOYSA-N 482.967 5.754 50 10 JKGE CCN(CC)S(=O)(=O)c1ccc(C(=O)Oc2ccc(C=C(C#N)c3ccccc3F)cc2)cc1 2320506560 MIGSJCIYLSHWCD-UHFFFAOYSA-N 478.545 5.140 50 10 JKGE N#CC(=CN1CCN(C(c2ccccc2)c2ccccc2)CC1)C(=O)Nc1cccc(C(F)(F)F)c1 2324405914 RRJKTKAUGBPYNL-UHFFFAOYSA-N 490.529 5.459 50 10 JKGE CC[C@H](NC(=O)C(C#N)=CNc1ccccc1Sc1ccccc1)c1ccc2c(c1)CCCC2 2325081453 TWMSGSFRGPBCBB-SANMLTNESA-N 467.638 6.803 50 10 JKGE Brc1cc(CO[C@H]2CCCCC[C@@H]2Br)ccc1I 2325377534 YABVPIRZDAMHMG-FZMZJTMJSA-N 488.001 5.667 50 10 JKGE Cc1c(Br)sc([C@@H](Br)[C@@H]2[C@@H]3[C@H]2CCCC3(F)F)c1Br 2330161322 UEBIRUNNZMFVDF-GHCJXIJMSA-N 479.022 6.699 50 10 JKGE CS(=O)(=O)Nc1ccc(C(O)=C(C#N)c2nc(-c3ccc(Cl)cc3Cl)cs2)cc1 2331251574 YSWWEJHSNWCEMR-UHFFFAOYSA-N 466.371 5.438 50 10 JKGE CC[C@@H](C)N1C(=O)c2ccc(C(O)=C(C#N)c3nc(-c4ccccc4Cl)cs3)cc2C1=O 2331265999 QGOPXFYAZAQWHW-CYBMUJFWSA-N 463.946 5.808 50 10 JKGE CC[C@H](C)N1C(=O)c2ccc(C(O)=C(C#N)c3nc(-c4ccc(OC)cc4)cs3)cc2C1=O 2331273357 CEMITZWWWINCIO-AWEZNQCLSA-N 459.527 5.163 50 10 JKGE CC(C)(C)c1ccc(-c2csc(C(C#N)=C(O)CCCOc3ccc4ccccc4c3)n2)cc1 2331331869 BXCILGNBMXPVDL-UHFFFAOYSA-N 468.622 7.913 50 10 JKGE CCOc1ccccc1OCC(O)=C(C#N)c1nc(-c2cc(OC)c(Cl)cc2OC)cs1 2331376856 DARLSZYRAHKZON-UHFFFAOYSA-N 472.950 5.751 50 10 JKGE CCCCCOc1ccc(C=C(C#N)c2nc(-c3ccc(Cl)c(Cl)c3)cs2)cc1OCC 2331443737 NSYAHCHGQHHPIF-UHFFFAOYSA-N 487.452 8.149 50 10 JKGE CCN(Cc1ccccc1)c1ccc(C=C(C#N)c2nc(-c3cc(OC)ccc3OC)cs2)cc1 2331450710 PZKKIORMXQPWEF-UHFFFAOYSA-N 481.621 6.918 50 10 JKGE CCCOc1c(Br)cc(C=C(C#N)c2nc(-c3ccc4c(c3)OCO4)cs2)cc1OC 2331453796 LJOLUOPXQVTAHJ-UHFFFAOYSA-N 499.386 6.163 50 10 JKGE Cc1cc([C@@H](Br)c2cc(Br)ccc2OCc2ccccc2)c(F)cc1F 2336047876 PHTVEEIYGNUKBN-OAQYLSRUSA-N 482.162 7.099 50 10 JKGE Brc1cc(OCc2ccccc2)ccc1[C@@H](Br)[C@@H]1CCn2ncnc2C1 2336048002 QHUNFEYPJYIDSP-QRWLVFNGSA-N 477.200 5.318 50 10 JKGE Fc1c(Br)cc(Cl)c([C@H](Cl)c2cc(Cl)sc2Cl)c1Br 2337081710 BJCRTFRLXOKGHK-SECBINFHSA-N 487.830 7.701 50 10 JKGE CCCc1sc(Br)cc1[C@@H](Br)c1ccc(Br)cc1C 2338024749 YAZSIVMXBIHXFA-HNNXBMFYSA-N 467.064 7.018 50 10 JKGE COc1cc([C@H](Br)c2cc(Br)c(Br)cc2F)sc1Cl 2340286448 LJWDTFDEFJRGHH-LLVKDONJSA-N 493.417 6.559 50 10 JKGE Clc1ccc(CNC2(CCBr)CCSCC2)c(I)c1 2341049093 LDJOCYHLJXBEJZ-UHFFFAOYSA-N 474.633 5.085 50 10 JKGE C[C@@H](Br)CN(Cc1ccc(I)c(Cl)c1)C1CCCC1 2342949471 LULUEMJMCOOMBK-LLVKDONJSA-N 456.593 5.473 50 10 JKGE CC(C)c1cc(Br)cc(C(=O)N[C@@H](CCBr)COCc2ccccc2)c1 2343415575 FEWLOHLNAITABD-FQEVSTJZSA-N 483.244 5.673 50 10 JKGE Brc1cc(CN2CC[C@@]3(CCC[C@H]3Br)C2)ccc1I 2349834328 KGQDHDCDSROGMP-CABCVRRESA-N 499.028 5.193 50 10 JKGE CC1CCC([C@H](CBr)Nc2ncc(Br)cc2Br)CC1 2351588640 KGEIRWRFHZYRIW-ZPPKWKGLSA-N 455.032 5.608 50 10 JKGE COc1cccc(OC)c1[C@@H](Br)c1ccc(OCc2ccccc2)cc1Br 2361195873 SLHRWBSZHHEWHD-QFIPXVFZSA-N 492.207 6.530 50 10 JKGE COc1ccc([C@H](Br)c2cc(Br)ccc2OCc2ccccc2)c(OC)c1 2361204624 IEAYGCXTZZVRNQ-QFIPXVFZSA-N 492.207 6.530 50 10 JKGE Fc1cc(CBr)c(N2CC[C@H]3[C@H](CCCN3Cc3ccccc3)C2)cc1Cl 2362389724 WXIQNORPKAGXAZ-UTKZUKDTSA-N 451.811 5.865 50 10 JKGE Clc1ccccc1[C@H](CBr)OCc1c(Br)cccc1Br 2366183586 XNVQPVCQOHQSDL-HNNXBMFYSA-N 483.425 6.518 50 10 JKGE Clc1ccc(CN2CC[C@@H]3CC[C@H](Br)C[C@@H]3C2)c(I)c1 2366723038 FULMEZDYFLPCMU-YUTCNCBUSA-N 468.604 5.330 50 10 JKGE COc1c(F)cc([C@H](Br)c2cccc(F)c2I)cc1F 2370454905 AERGXBUGIXWUJU-LBPRGKRZSA-N 457.027 5.201 50 10 JKGE CCN(CC)C(=O)Oc1ccc2c(ccn2Cc2cc(C)cc(C)c2)c1NC(=O)[C@@H](C)Cl 23426051 GRYKTGAPLGDMIW-GOSISDBHSA-N 455.986 5.713 50 10 JKGE Cc1ccc2cc(/C=C(/C#N)c3nc(-c4cc5ccccc5oc4=O)cs3)c(Cl)nc2c1 33391304 KOISPWVGTRJJJK-ZDLGFXPLSA-N 455.926 6.491 50 10 JKGE COc1ccc(-c2nn(-c3ccccc3)cc2/C=C(/C#N)c2nc(-c3ccco3)cs2)cc1 33471715 JOSQXNCICLHLCW-RGEXLXHISA-N 450.523 6.329 50 10 JKGE CCCOc1cccc(-c2nn(-c3ccccc3)cc2/C=C(\C#N)c2nc3ccccc3s2)c1 35446645 PANJFZXLXHEGPO-LTGZKZEYSA-N 462.578 7.002 50 10 JKGE C[C@H](Cl)c1nc2cc(Br)ccc2n1-c1ccccc1I 36910586 AJHCQHSTHIZHQM-VIFPVBQESA-N 461.528 5.692 50 10 JKGE CCCCN1C(=O)C(C#N)=C(C)/C(=C\c2ccc(OCc3ccc(F)cc3)c(OCC)c2)C1=O 38603726 MAHUPYIRZNBHSA-HYARGMPZSA-N 462.521 5.196 50 10 JKGE C=CCOc1ccc(C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@H]3c2ccccc2OCC)cc1 38650512 JHWSCKKHXMJDDX-SANMLTNESA-N 468.509 5.087 50 10 JKGE CC(C)c1ccc(O[C@H](C)C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@H]3c2cccs2)cc1 38656630 LDPYSHDTKCUHSR-GYCJOSAFSA-N 460.555 5.463 50 10 JKGE N#CC1=C(N)Oc2cc(OC(=O)C(c3ccccc3)c3ccccc3)ccc2[C@H]1c1cccc(F)c1 38678385 ZFSVZKLXWTZNHG-MUUNZHRXSA-N 476.507 5.781 50 10 JKGE COc1ccc(C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@@H]3c2c(Cl)cccc2Cl)cc1 38679488 WNPRKHYMXJXZJS-OAQYLSRUSA-N 467.308 5.439 50 10 JKGE CCCOc1ccccc1[C@H]1C(C#N)=C(N)Oc2cc(OC(=O)COc3ccc(C(C)C)cc3)ccc21 38681786 AQKFQIHUDGCCKU-GDLZYMKVSA-N 498.579 5.801 50 10 JKGE Cc1cc(C)c2c(C)c(C(=O)Oc3ccc4c(c3)OC(N)=C(C#N)[C@H]4c3ccc(C(C)C)cc3)oc2c1 38687098 YJHBTKPJEKONKD-NDEPHWFRSA-N 492.575 6.919 50 10 JKGE Cc1c(C(=O)Nc2cccc(C(F)(F)F)c2)oc2c1/C(=N/NC(=O)c1ccc(Cl)cc1)CCC2 40811682 QUZQRLJKFRPMDZ-UXHLAJHPSA-N 489.881 5.983 50 10 JKGE CCCCOc1ccc(NC(=O)c2oc3c(c2C)/C(=N/NC(=O)c2ccc(OC)cc2)CCC3)cc1 40813846 IZNRIPCRHBWZQG-JJKYIXSRSA-N 489.572 5.498 50 10 JKGE COc1ccc(C(=O)N/N=C2\CCCc3oc(C(=O)Nc4cccc(Cl)c4Cl)c(C)c32)cc1 40813858 FWDSUVHWUVYASW-OGLMXYFKSA-N 486.355 5.626 50 10 JKGE CCCCOc1ccc(/C=C(\C#N)C(=O)Nc2nc(-c3ccc(Br)cc3)cs2)cc1 40865096 RDDQNGAZBIOKNT-QGOAFFKASA-N 482.403 6.297 50 10 JKGE COc1cc(/C=C(\C#N)C(=O)Nc2cccc(C)c2C)ccc1OCc1ccc(Cl)cc1Cl 59202209 ISYXEZDLXSTCTN-RGVLZGJSSA-N 481.379 6.744 50 10 JKGE Cc1ccccc1-n1c(C)cc(/C=N/NC(=O)c2cc3cc(Br)ccc3o2)c1C 59304021 WFMFYBSXARVGLN-DHRITJCHSA-N 450.336 5.675 50 10 JKGE COc1ccc(NCCCC(=O)N/N=C/c2ccccc2OCc2cccc(Br)c2)cc1 59507879 MNPFVANMSOXMLU-OGLMXYFKSA-N 496.405 5.379 50 10 JKGE O=C(NC1CCCCCC1)[C@@H](c1ccc(Cl)cc1)N(CCC1=CCCCC1)C(=O)CCl 97914862 HBQXNGTWAAUHEB-XMMPIXPASA-N 465.465 6.178 50 10 JKGE Cc1ccccc1P(c1ccccc1C)[C@H](C)[C@H]1CCC[C@@H]1P(C(C)(C)C)C(C)(C)C 106804810 KJLGULUIPNNIDJ-OASJLCFRSA-N 454.619 8.372 50 10 JKGE Clc1cc(Br)ccc1C[C@H](CBr)Cc1ccc(Br)cc1 168950938 HXISQSQYQWEXDM-GFCCVEGCSA-N 481.453 6.661 50 10 JKGE CC[C@@H](N/C=C(/C#N)C(=O)Nc1ccc(Cl)c(C(F)(F)F)c1)c1ccc2c(c1)CCCC2 217249405 GYQAASZAMPGXAT-MTPVXSITSA-N 461.915 6.324 50 10 JKGE FC(F)(F)c1cc(Br)ccc1[C@@H](Br)c1ccc(Br)s1 229518430 VBJSKEXLCZADFP-LLVKDONJSA-N 478.953 6.776 50 10 JKGE O=[N+]([O-])c1ccccc1C[C@H](Br)c1ccc(Br)cc1Br 232475251 KJXLWZCXJWZDHV-LBPRGKRZSA-N 463.951 5.799 50 10 JKGE CCc1ccc(COc2c(Br)cc(CBr)cc2Br)s1 234186667 YNSWKWNWLCTGOS-UHFFFAOYSA-N 469.036 6.309 50 10 JKGE Cc1cc(F)c([C@H](Br)c2ccc(Br)cc2Br)cc1F 235923647 TUIYZEFCLSGEEC-CQSZACIVSA-N 454.934 6.283 50 10 JKGE Cl[C@H](Cc1ccc(Br)cc1)c1cc(Br)cc(Br)c1 236027809 HMLHOLDNDLNRHC-CQSZACIVSA-N 453.399 6.497 50 10 JKGE Cc1ccccc1[C@@H]1C(C=NNC(=O)c2ccccc2O)=C(c2ccccc2)Oc2ccccc21 245265029 FSKYTIOFWUAUNX-NDEPHWFRSA-N 460.533 6.052 50 10 JKGE O=C(NN=C/C(Br)=C/c1ccccc1)c1cc(C23CC4CC(CC(C4)C2)C3)n[nH]1 254379187 BNLQYTNRJQORSM-UZDTVBCKSA-N 453.384 5.029 50 10 JKGE CCCCc1ccc(OCC(=O)NN=Cc2ccc(OC(=O)/C=C/c3ccccc3)c(OC)c2)cc1 254630280 HWZFQPOIWKQBGD-WQOUYIDYSA-N 486.568 5.186 50 10 JKGE Cc1cc(C)c([C@H](Cl)c2sccc2I)c(C)c1Br 311219062 NMUKCRQTLIRGKI-ZDUSSCGKSA-N 455.586 6.369 50 10 JKGE O=C(OCc1ccccc1)N1C[C@H](CCl)[C@H](c2cc(Br)ccc2Br)C1 382690140 MIHRYLSFNDKTBP-WMLDXEAASA-N 487.619 5.803 50 10 JKGE C[C@H](CN(C)Cc1ccccc1)n1c(CCCl)nc2cc(I)c(F)cc21 388516467 KYOCXVOTVVDMHU-CQSZACIVSA-N 485.772 5.254 50 10 JKGE CC(C)(C)[Si](C)(C)OCCN1CCO[C@@H](c2ccccc2CO[Si](C)(C)C(C)(C)C)CC1 616595185 KQMKCGRMYJQIPG-XMMPIXPASA-N 479.854 6.994 50 10 JKGE CC(C)OCCCC(CBr)(CBr)c1cccc(Br)c1 690595372 NBBKRRPWYXSJIN-UHFFFAOYSA-N 457.044 5.682 50 10 JKGE Cc1cc(C)c([C@@H](Br)c2ncsc2Br)c(C)c1Br 698647535 IPCVIVRUCZGGPZ-LLVKDONJSA-N 454.025 6.078 50 10 JKGE O=C(CBr)c1cc(Br)cc(C(F)(F)F)c1OCc1ccccc1 706128183 BKGBHTUEVNRHHJ-UHFFFAOYSA-N 452.064 5.625 50 10 JKGE CC1(C)CO[C@H](COc2c(Br)cc(Br)cc2CBr)C1 708348169 LAKCKFXMJNUZHX-NSHDSACASA-N 457.000 5.300 50 10 JKGE FC(F)(F)c1cccc2c1nc(CCl)n2CCCN(Cc1ccccc1)Cc1ccccc1 717209684 PRQWQUXFKUCHBK-UHFFFAOYSA-N 471.954 6.886 50 10 JKGE CCc1ccc([C@@H](Br)c2ccc(I)c(Br)c2)s1 721589719 UKXXEKDZBUOTAZ-ZDUSSCGKSA-N 486.010 6.162 50 10 JKGE N#C/C(=C/c1cc(Br)cc(Br)c1O)C(=O)Nc1ccccc1Cl 725447095 IRSCYDTURZAXFQ-YHYXMXQVSA-N 456.521 5.116 50 10 JKGE CCOc1ccc([C@H](O)CCC(=O)NN=Cc2c(C)n(Cc3ccccc3)c3ccccc23)cc1 1083934040 DZOSKJAMWASVPA-MUUNZHRXSA-N 469.585 5.361 50 10 JKGE C=CCc1cc(/C=C(\C#N)C(=O)Nc2ccc(C)cc2)cc(OCC)c1OCc1ccc2c(c1)OCO2 1084119685 STHXVSVAJUYOFM-ZVHZXABRSA-N 496.563 5.976 50 10 JKGE Cc1ccccc1NC(=O)NN=Cc1cc(Br)c(Sc2ccc(Cl)cc2)o1 1084358835 AUDLZJMKKFDECX-UHFFFAOYSA-N 464.772 6.311 50 10 JKGE CCOc1cc(C=NNC(=O)c2ccccc2)cc(Br)c1OCc1ccccc1Cl 1084506911 MZGFTAHOTNCBHZ-UHFFFAOYSA-N 487.781 5.844 50 10 JKGE COc1cc(C=NNC(=O)COc2ccccc2C(C)C)ccc1OCc1ccc(Cl)cc1 1772754095 BUQCQYJMQKFDOA-UHFFFAOYSA-N 466.965 5.580 50 10 JKGE COc1cc(/C=N\NC(=O)c2ccc(-c3ccc4ccccc4c3)s2)ccc1OCc1ccccc1 1860773614 CBBPCWAPBBIBKC-DXJNIWACSA-N 492.600 6.920 50 10 JKGE COc1ccc(-c2nn(Cc3ccccc3Cl)c3c2[C@H](c2ccccc2)C(C#N)=C(N)O3)cc1 1865680634 QMFBIPAFEAJMFK-HSZRJFAPSA-N 468.944 5.479 50 10 JKGE N#CC1=C(N)Oc2c(c(C(F)(F)F)nn2-c2ccccc2Cl)[C@H]1c1ccc(Cl)cc1 1865683338 JBJHUWWXXUFGRH-HNNXBMFYSA-N 451.235 5.416 50 10 JKGE COc1ccc(-c2nn(-c3ccccc3Cl)c3c2[C@H](c2ccccc2Cl)C(C#N)=C(N)O3)cc1 1865685916 OYUBNOYLHPBIBW-JOCHJYFZSA-N 489.362 6.073 50 10 JKGE CCc1nn(-c2ccc(Br)cc2)c2c1[C@H](c1ccc(Cl)c(Cl)c1)C(C#N)=C(N)O2 1865686622 XYLDEQBGACILTI-GOSISDBHSA-N 490.188 5.722 50 10 JKGE CCOc1cc([C@H]2C(C#N)=C(N)Oc3c2c(CC)nn3C)ccc1OCc1c(Cl)cccc1Cl 1865703617 XFFHFCVCTHBODR-QFIPXVFZSA-N 499.398 5.485 50 10 JKGE Cc1nn(-c2cccc3ccccc23)c2c1[C@@H](c1ccc(Cl)c([N+](=O)[O-])c1)C(C#N)=C(N)O2 1865706403 VWSOCZDMTIZHTP-QFIPXVFZSA-N 457.877 5.114 50 10 JKGE COc1ccc(Cl)cc1N1C[C@H](/C(O)=C(\C#N)c2nc(-c3ccccc3)cs2)CC1=O 1872747915 YZGHCTVCIOSVAN-XQEBGNCTSA-N 451.935 5.318 50 10 JKGE CCOc1ccc(CC/C(O)=C(\C#N)c2nc(-c3ccc(Cl)c(Cl)c3)cs2)cc1OC 1872749098 AZKLCLCBGXDUCH-SILNSSARSA-N 475.397 6.950 50 10 JKGE COc1ccccc1-c1csc(/C(C#N)=C(\O)c2ccccc2I)n1 1872818083 MBQOFBMZODOBIW-JXAWBTAJSA-N 460.296 5.373 50 10 JKGE C[C@@H](c1ccc(CNC(=O)OC(C)(C)C)cc1)[C@@H](CBr)NC(=O)OC(C)(C)C 1887136332 UNNJRAYVYVSYPP-WMLDXEAASA-N 457.409 5.103 50 10 JKGE CC(C)[C@@H]1C[C@H]1[C@H](Br)c1c(Br)sc(Br)c1Cl 1897482448 LILTZXWAPCATPU-BBVRLYRLSA-N 451.449 6.655 50 10 JKGE CCC[C@@H]1C[C@H]1[C@@H](Br)c1c(Br)sc(Br)c1Cl 1897488657 QYCIQTMAMUCRJW-ATRFCDNQSA-N 451.449 6.799 50 10 JKGE Cc1nsc(Br)c1[C@@H](Br)c1cc(Br)c(Cl)cc1F 1912940925 BBIWFQFLIKYZPT-JTQLQIEISA-N 478.406 6.253 50 10 JKGE Cc1cc(Br)c(S(=O)(=O)N(Cc2ccccc2)[C@H](C)CCl)cc1Br 1914349342 XSLFBICBAUJTNF-CYBMUJFWSA-N 495.664 5.338 50 10 JKGE O=C(c1ccc(Cl)cc1Br)N(Cc1ccccc1)[C@@H](CBr)C1CC1 1915315844 ZCUDSCROQYOANY-SFHVURJKSA-N 471.620 5.918 50 10 JKGE CN(C[C@@H](Br)COCc1ccccc1)C(=O)c1cccc(OCc2ccccc2)c1 1916354626 KALFMTQYFHUJEU-HSZRJFAPSA-N 468.391 5.318 50 10 JKGE FC1(F)CCCC[C@@H]1[C@@H](Br)c1c(Br)sc(Br)c1Cl 1923055722 XYYCPXPQYYGKIZ-IYSWYEEDSA-N 487.429 7.188 50 10 JKGE CCC(CC)([C@H](Cl)c1c(Br)sc(Br)c1Cl)C(F)(F)F 1923067017 XOMOQFWOAFIQNI-SSDOTTSWSA-N 462.984 7.575 50 10 JKGE Cl[C@@H](c1c(Br)sc(Br)c1Br)[C@H]1Cc2ccccc21 1924586522 YUWNJKYVYIZRGW-GZMMTYOYSA-N 471.439 6.655 50 10 JKGE Clc1sc(Br)c(Cl)c1[C@H](Br)c1cc2ccccc2s1 1925587979 CMFMUWZBZWMIBN-SNVBAGLBSA-N 457.039 7.516 50 10 JKGE Cl[C@H](c1c(Br)sc(Br)c1Br)[C@]12C[C@H](CO1)C2 1994622828 SZJAVTRMMFVFDJ-XNSGURDHSA-N 451.405 5.495 50 10 JKGE Cc1c(Br)cccc1[C@@H](Cl)c1ccc(Br)cc1Br 2083322185 SBAVSGPDNNBOBP-CQSZACIVSA-N 453.399 6.611 50 10 JKGE CCCC[C@H](C)CC[C@@H](Br)c1c(Br)sc(Br)c1Cl 2086055569 BKSOABMQRHICHC-DTWKUNHWSA-N 481.519 7.969 50 10 JKGE ClCCc1nc2cc(Br)c(Cl)cc2n1CC1CN(Cc2ccccc2)C1 2103624703 RBQUNBWSQDSJEA-UHFFFAOYSA-N 453.211 5.366 50 10 JKGE Brc1cc(Br)c([C@@H](Br)[C@H]2CC3(CCCCC3)CO2)s1 2109966395 YRJMZQDZKFNGHG-PWSUYJOCSA-N 473.068 6.449 50 10 JKGE Clc1c(Br)cccc1C[C@@H](CBr)c1cccc(Br)c1 2110525464 DEAXHOIFDQILNR-LBPRGKRZSA-N 467.426 6.586 50 10 JKGE Cc1ccc([C@H](Br)c2c(Cl)cccc2Br)c(C)c1Br 2113163404 VZQIARPCJQXVNZ-HNNXBMFYSA-N 467.426 6.966 50 10 JKGE O=C(c1scc(Br)c1Br)N1C[C@H](Br)C2(CCCC2)C1 2117745321 ZXCHZGPANYXAHS-VIFPVBQESA-N 472.040 5.053 50 10 JKGE O=C(NCC[C@H]1CCCC[C@@H]1Br)c1cc(Br)c(Br)s1 2123032401 RBLGIBFMLYPMRY-BDAKNGLRSA-N 474.056 5.347 50 10 JKGE CCC1CCC([C@@H](Br)c2ccc(Br)c(C)c2Br)CC1 2138875147 CDPCACWVRJZZOO-ZEPSKSRBSA-N 453.056 7.172 50 10 JKGE CO[C@@H](COc1c(Br)cc(Br)cc1CBr)C1CCCC1 2150271630 FYVPGMULSWOKGM-AWEZNQCLSA-N 471.027 5.691 50 10 JKGE CCc1nc(CC(CBr)(CBr)c2ccccc2Br)cs1 2169825711 KKCDCZIPMXEHQI-UHFFFAOYSA-N 482.079 5.738 50 10 JKGE Cc1cc(Br)c(C)c([C@H](Br)[C@H]2CCC[C@H](C)CC2)c1Br 2201076482 YKTKYIBSAMJPGH-SIMVJXQJSA-N 467.083 7.481 50 10 JKGE COc1cc(F)c([C@@H](Br)c2cccc(Br)c2F)cc1Br 2202903307 CHLDYFDJWXGWKA-ZDUSSCGKSA-N 470.933 5.983 50 10 JKGE COc1cc(Br)c(F)cc1Oc1ccc(CBr)cc1Br 2207463019 AHKUKYBSOBWHJN-UHFFFAOYSA-N 468.942 6.047 50 10 JKGE CC(F)(F)[C@@H]1C[C@@H]1[C@H](Br)c1cc(Br)c(Br)cc1F 2218602992 IIVCWBGOTXPZSY-MJIFXRKESA-N 450.918 6.078 50 10 JKGE Cc1cc(Br)c([C@@H](Br)c2cscc2F)c(C)c1Br 2220142689 AQUOQAPDBSNZHS-ZDUSSCGKSA-N 457.000 6.513 50 10 JKGE CCc1ccc([C@@H](Br)c2c(Br)cc(Cl)c(Cl)c2Cl)s1 2224302044 HQIBJWHQPNREQF-LLVKDONJSA-N 463.449 7.518 50 10 JKGE CC1(C)C[C@@H]([C@@H](Br)c2c(Br)cc(Cl)c(Cl)c2Cl)CO1 2224302638 NKOGFLZQUDXXFF-LHLIQPBNSA-N 451.413 6.660 50 10 JKGE COc1ccc(Br)cc1[C@H](Br)c1ccc(C)c(I)c1 2224621808 JRNQYIDRSRGRDW-OAHLLOKOSA-N 495.980 5.855 50 10 JKGE Cc1cc(F)c([C@@H](Br)c2ccc(C)c(I)c2)cc1Cl 2224626906 KBJYPFNBDZRODS-HNNXBMFYSA-N 453.520 6.185 50 10 JKGE Cc1ccc(Cl)cc1[C@@H](Br)c1cc(Br)c(Br)cc1F 2225616641 HOALMIZHLFTUCR-CQSZACIVSA-N 471.389 6.797 50 10 JKGE Cc1cc(Br)c([C@H](Br)[C@]23CCOC[C@@H]2C3)c(C)c1Br 2227359990 NXOGXEFSWXIXAR-LKTVYLICSA-N 453.012 5.691 50 10 JKGE CC(C)([C@H]1CCCO1)[C@@H](Br)c1c(Br)cc(Cl)c(Cl)c1Cl 2232530743 UTYOLIMWUYVXKO-RNCFNFMXSA-N 465.440 7.051 50 10 JKGE Fc1cc(Br)c(Br)cc1[C@H](Br)[C@@H]1C[C@H]1c1ccccc1 2233976016 NBTVAEDZOHJYKV-LYOVBCGYSA-N 462.982 6.590 50 10 JKGE Fc1cc(Br)c(Br)cc1[C@H](Br)c1ccc(C2CC2)cc1 2233982121 QVZXKGRSZOOCET-MRXNPFEDSA-N 462.982 6.712 50 10 JKGE Cc1cc(Br)c([C@@H](Br)[C@@H]2C(F)(F)C23CCC3)c(C)c1Br 2235614105 FDPOJIVEUJUESR-OLZOCXBDSA-N 472.993 6.700 50 10 JKGE Cc1cc([C@@H](Br)[C@H](C)c2ccncc2Br)cc(C)c1Br 2235678876 YUDABQFWBRPQSH-BZNIZROVSA-N 462.023 6.463 50 10 JKGE CCCCCCCCCCCO[C@](C)(CI)CN(CC)C(=O)OC(C)(C)C 2239497577 BENLURSNQCVWJA-JOCHJYFZSA-N 497.502 6.985 50 10 JKGE C[C@@H](Br)CN(Cc1cccc(Br)c1Br)CC(C)(C)C 2272537329 QOIHUSJQMCSWNZ-LLVKDONJSA-N 456.060 5.843 50 10 JKGE Cc1cc(Br)c([C@H](Br)[C@]23CCCC[C@H]2CC3)cc1Br 2273339043 ALIYYTQPIOMSTG-UVBJJODRSA-N 451.040 6.926 50 10 JKGE Fc1ccc(F)c([C@H](Br)Cc2cc(Br)cc(Br)c2)c1 2277895517 DWOVTNHGCZBTRJ-CYBMUJFWSA-N 454.934 6.169 50 10 JKGE COc1cc(Cl)c(Cl)cc1[C@@H](Br)c1nn(C)c(Cl)c1Br 2279052073 JUTIJQYMPILQSL-SECBINFHSA-N 463.384 5.636 50 10 JKGE COc1c([C@H](Br)c2cc(Br)sc2C)cc(Br)c(C)c1C 2284592844 DYWUAVNPSOEITE-CQSZACIVSA-N 483.063 6.691 50 10 JKGE CC[C@H](CC(F)(F)F)[C@@H](Br)c1c(F)cc(Br)c(F)c1Br 2288346961 OEYPJWIOKWBKJT-MLUIRONXSA-N 488.914 6.904 50 10 JKGE N#CC(=Cc1cn(-c2ccccc2)nc1-c1cc2ccccc2o1)C(=O)Nc1ccc(Cl)cc1 2293034737 ALEFMMLOFULAPT-UHFFFAOYSA-N 464.912 6.485 50 10 JKGE CCCCOC(=O)c1ccc(NC(=O)C(C#N)=Cc2ccc(OC(=O)c3ccccc3)cc2)cc1 2293038770 YPQOKMWNROWCOM-UHFFFAOYSA-N 468.509 5.408 50 10 JKGE COc1cc(C=C(C#N)c2nc3ccccc3s2)ccc1OCc1ccc(Br)cc1 2293190868 CEJFKDTXYCVJCQ-UHFFFAOYSA-N 477.383 6.711 50 10 JKGE COc1cc(C=C(C#N)c2cccc(Cl)c2)c(Br)cc1OCc1ccccc1Cl 2294619985 XVJMUOVXVURZPE-UHFFFAOYSA-N 489.196 7.408 50 10 JKGE Brc1cc(Br)cc(C[C@H](Br)[C@@H]2C[C@@H]2C2CCOCC2)c1 2295335644 MQWIASTXRGQEQD-OAGGEKHMSA-N 467.039 5.580 50 10 JKGE CCCCCCOC(=O)c1ccccc1NC=C(C#N)c1nc(-c2ccc(OC)cc2)cs1 2295945930 XOODNIGOIYWAHT-UHFFFAOYSA-N 461.587 6.532 50 10 JKGE COc1ccc(C[C@H]2SC(=C(C#N)C(=O)Nc3cccc(C)c3C)N(c3ccccc3)C2=O)cc1 2296038041 BCUJIUAEEFONRN-RUZDIDTESA-N 483.593 5.377 50 10 JKGE C=CCOc1ccc(-c2nn(-c3ccccc3)cc2C=C(C#N)C(=O)NCc2ccccc2)cc1 2296729485 QOSZVTTXGHNBQW-UHFFFAOYSA-N 460.537 5.327 50 10 JKGE CCOC(=O)c1c(-c2ccc(Br)cc2)csc1NC(=O)C(C#N)=Cc1ccccc1 2297453211 KZTJMZBDSAIWFL-UHFFFAOYSA-N 481.371 5.900 50 10 JKGE FC1(F)CC[C@H]1C[C@H](Cl)c1c(Br)sc(Br)c1Br 2299067518 ITRBUMGGQVUSPS-WHFBIAKZSA-N 473.402 6.751 50 10 JKGE FC1(F)[C@@H]2[C@@H]([C@@H](Br)c3sc(Cl)cc3I)CC[C@H]21 2300956919 HCVDYRMZSUUDPB-TYPSWONNSA-N 453.517 5.733 50 10 JKGE C[C@H](CCCCBr)NCc1ccc(I)c(Br)c1 2306224002 LVSOBXSUZAECCU-SNVBAGLBSA-N 475.006 5.097 50 10 JKGE Cc1ccc(NC(=O)C(C#N)=Cc2ccc(-c3ccc([N+](=O)[O-])cc3Br)o2)cc1C 2313511070 MFFKQMJWOVGYFI-UHFFFAOYSA-N 466.291 5.780 50 10 JKGE Cc1cc(C=C(C#N)C(=O)Nc2cccc(Cl)c2Cl)c(C)n1-c1ccc(Cl)c(C(=O)O)c1 2313570741 FGHSRTDTSCSCFM-UHFFFAOYSA-N 488.758 6.298 50 10 JKGE CCOc1cc(C=C(C#N)C(=O)Nc2ccc(Cl)c(Cl)c2)cc(Br)c1OCC 2313631412 PYJKDVKFMJXMNT-UHFFFAOYSA-N 484.177 6.099 50 10 JKGE CC1(C)[C@H]2CO[C@]1([C@@H](Br)c1ccc(OCc3ccccc3)cc1Br)C2 2314450454 ZMYSBVGTSTXQBT-JJXUHFIVSA-N 466.213 6.279 50 10 JKGE Brc1ccc(OCc2ccccc2)c([C@@H](Br)C[C@@H]2CCCOCC2)c1 2314454534 HBKCCHMASVJWPI-UZLBHIALSA-N 468.229 6.671 50 10 JKGE CCCOc1ccc(-c2nn(-c3ccccc3)cc2C=C2C(=O)N(CCC)C(=O)C(C#N)=C2C)c(C)c1 2314610618 KIJLITNRZPNSKK-UHFFFAOYSA-N 494.595 5.639 50 10 JKGE CCCOc1cccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)C=Cc4ccccc4)ccc32)c1 2314634792 LNXVZQIPCSOAQU-MHZLTWQESA-N 452.510 5.312 50 10 JKGE COc1cc(C=C(C#N)c2ccc(Cl)cc2)ccc1OC(=O)C=Cc1ccc(Cl)c(Cl)c1 2314736320 FFXNJZKRKGXBCO-UHFFFAOYSA-N 484.766 7.338 50 10 JKGE CCCCOc1ccc(C=C(C#N)C(=O)Oc2ccc(C(=O)Nc3ccc(C)cc3C)cc2)cc1 2314737700 LACSCXFNXLDWHJ-UHFFFAOYSA-N 468.553 6.247 50 10 JKGE COc1ccccc1C[C@@H](Br)c1sc(Cl)cc1I 2316598448 CLPPBUYBTSFGAA-SECBINFHSA-N 457.558 5.693 50 10 JKGE CC(C)(C)OC(=O)N1CCC[C@](CI)(OCC[C@H]2CC[C@H]2C2CC2)C1 2319609067 LWXGBVKDTVNFSH-FUHIMQAGSA-N 463.400 5.034 50 10 JKGE CC1(C)COC[C@@]1(CBr)Cc1ccc(I)c(Br)c1 2325220294 HFOZEGCMWKJDPE-AWEZNQCLSA-N 488.001 5.034 50 10 JKGE CCn1cc(C=C2Oc3cc(OCc4ccc(CCl)cc4)ccc3C2=O)c2cc(OC)ccc21 2325339583 KAJJJJCKRZWSAV-UHFFFAOYSA-N 473.956 6.604 50 10 JKGE O=C(c1cc(Br)c(Br)s1)N1CC[C@H]2C[C@H](Br)CC[C@H]21 2328611761 RHRQHXQABUEUDV-QXFUBDJGSA-N 472.040 5.051 50 10 JKGE FC1(F)CCC[C@@H]2[C@@H]([C@@H](Cl)c3c(Br)sc(Br)c3Br)[C@@H]21 2330160025 GUESTKGPLPJSSB-IJAXKIPDSA-N 499.440 6.997 50 10 JKGE CC(C)(C)c1ccc(C(=O)NCC(O)=C(C#N)c2nc(-c3ccc(C(C)(C)C)cc3)cs2)cc1 2331331644 YXTBUSJYDXCEIU-UHFFFAOYSA-N 473.642 6.628 50 10 JKGE N#CC(=C(O)c1ccc2c(c1)C(=O)N(Cc1ccccn1)C2=O)c1nc(-c2ccc(F)cc2)cs1 2331342722 SYFDCXDOEDPLPG-UHFFFAOYSA-N 482.496 5.090 50 10 JKGE N#CC(=C(O)CNC(=O)c1ccc(Cl)cc1)c1nc(-c2ccc(Oc3ccccc3)cc2)cs1 2331358714 GUEAJFASXRCORR-UHFFFAOYSA-N 487.968 6.478 50 10 JKGE Cc1ccc(-c2csc(C(C#N)=C(O)C=Cc3ccc(OCc4ccccc4Cl)cc3)n2)cc1C 2331382606 MIUFTHGAQSIDIB-UHFFFAOYSA-N 499.035 8.165 50 10 JKGE COc1ccc(-c2csc(C(C#N)=C(O)c3ccc(Cl)c(Cl)c3)n2)c(OC)c1OC 2331412487 BNFHSEWREKNILU-UHFFFAOYSA-N 463.342 6.093 50 10 JKGE CCCCCCCOc1ccc(-c2csc(C(C#N)=Cc3cccc(OC)c3OC)n2)cc1 2331460484 HNXSMFPVPIQAQA-UHFFFAOYSA-N 462.615 7.241 50 10 JKGE Cc1cc([C@H](Br)c2c(Cl)cc(Br)c(F)c2Br)oc1C 2337095970 FQZPVVLSXOKCFL-NSHDSACASA-N 475.377 6.698 50 10 JKGE CC(C)(C)[C@H]1[C@H](Br)CCN1Cc1ccc(Cl)c(I)c1 2337216607 VSLXYEIWHQHIFK-BXUZGUMPSA-N 456.593 5.329 50 10 JKGE Cc1cc(Br)c([C@H](Br)[C@@H]2COC3(C)CC2C3)cc1Br 2337684237 XESUWZWHMXSXKD-SGUDMPQGSA-N 453.012 5.771 50 10 JKGE CCCc1sc(Br)cc1[C@H](Br)c1cccc(Br)c1C 2338020104 ITHRBDMQNCCZOY-OAHLLOKOSA-N 467.064 7.018 50 10 JKGE Cc1cc(Br)c(F)c(Br)c1[C@@H](Br)CC1(C)CCCC1 2339685601 HSEZHGHWPHISSC-NSHDSACASA-N 457.019 7.066 50 10 JKGE COc1c(Br)cc(C)c([C@@H](Br)[C@@H](C)CC(C)C)c1Br 2339692139 VGDXLVWJUZQIPI-GWCFXTLKSA-N 457.044 6.647 50 10 JKGE Clc1ccc(CN2CC3(CCC3)C[C@H]2CBr)c(I)c1 2341059698 NLMCUKWOTPYMRQ-ZDUSSCGKSA-N 454.577 5.084 50 10 JKGE CCOc1ccc([C@H](Br)c2csc(C)c2Br)cc1Br 2343553454 KGLKPZPZJCSKDM-AWEZNQCLSA-N 469.036 6.465 50 10 JKGE Fc1ccc([C@H](CBr)Cc2cc(I)ccc2Cl)cc1 2352429334 GTSKUMQXGAIYAW-LBPRGKRZSA-N 453.520 5.805 50 10 JKGE CC(C)([C@@H]1CCCO1)[C@H](Br)c1c(Cl)cc(Br)c(F)c1Br 2362253179 HWULKARJOCESHR-TVQRCGJNSA-N 493.436 6.645 50 10 JKGE Cc1cc(Br)c(F)c(Br)c1[C@H](Br)[C@H]1CCC[C@@H]1C(F)F 2365197134 SVFUDHDMKHGHEI-DKCNOQQISA-N 478.972 6.777 50 10 JKGE Cc1cc(Br)c(F)c(Br)c1[C@@H](Br)[C@@H]1C(F)(F)C12CCC2 2365218012 ABHGWSMJJMQHIK-PWSUYJOCSA-N 476.956 6.531 50 10 JKGE COc1c(Br)cc(C)c([C@H](Cl)c2cc(Cl)c(Cl)s2)c1Br 2365226556 VZYSBZOJVRKFJY-LLVKDONJSA-N 479.448 7.225 50 10 JKGE Cl[C@H]1[C@@H](CNCc2ccc(I)c(Br)c2)CCC12CCC2 2377331183 IHZJGDUKOKRWHD-DOMZBBRYSA-N 468.604 5.331 50 10 JKGE COc1cc(Br)c(OC[C@](C)(CBr)C(C)(C)C)cc1Br 2380188926 AUHUQNJVFMHDAQ-HNNXBMFYSA-N 473.043 6.046 50 10 JKGE N#C/C(=C/c1ccc(OCC(=O)Nc2ccc(Cl)cc2)c(Cl)c1)c1ccc([N+](=O)[O-])cc1 6975012 GDTBVWCVYVTCII-BOPFTXTBSA-N 468.296 5.983 50 10 JKGE CC[C@@H](Oc1ccc(-c2ccccc2)cc1)C(=O)NNC(=O)CCC(=O)Nc1cccc(Cl)c1C 14768529 AUNKGTNZFFCAPA-XMMPIXPASA-N 493.991 5.039 50 10 JKGE CC[C@@H](Oc1ccc(-c2ccccc2)cc1)C(=O)NNC(=O)c1ccc(OCc2ccccc2)cc1 14768960 AZQNRWOEISTNKO-MUUNZHRXSA-N 480.564 5.551 50 10 JKGE Cc1ccccc1COc1ccc2ccccc2c1/C=N/NC(=O)CSc1nc2ccccc2s1 32520771 WULBCPWNRSWMMM-MUFRIFMGSA-N 497.645 6.579 50 10 JKGE CCCCOc1ccc(/C=C(/C#N)C(=O)Nc2sc(C)c(C)c2C(=O)OCC)cc1OC 33381623 XTSLVRTYCJBEMF-PDGQHHTCSA-N 456.564 5.275 50 10 JKGE CCc1ccc(Oc2nc3ccccn3c(=O)c2/C=C(/C#N)c2nc3ccccc3s2)cc1 33897262 CRKBJZIMHXVMGW-SDXDJHTJSA-N 450.523 5.723 50 10 JKGE CC(C)c1ccc(/C=C(/C#N)C(=O)Nc2ncc(Cc3cccc(C(F)(F)F)c3)s2)cc1 35419182 FGNLYUOWEUPMFN-GRSHGNNSSA-N 455.505 6.422 50 10 JKGE CCOc1ccc(C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@@H]3c2ccc(C(C)C)cc2)cc1 38649474 HBNMNKNUCMHDJA-AREMUKBSSA-N 454.526 5.646 50 10 JKGE CCc1ccc2oc(C(=O)Oc3ccc4c(c3)OC(N)=C(C#N)[C@@H]4c3ccc(C)cc3)c(C)c2c1 40530259 VMJRNJZIRDZBIS-AREMUKBSSA-N 464.521 6.049 50 10 JKGE Cc1c(C(=O)Nc2ccc(Cl)c(Cl)c2)oc2c1/C(=N/NC(=O)c1ccncc1)CCC2 40813974 CPCFGMATEJCBGY-WPWMEQJKSA-N 457.317 5.013 50 10 JKGE CCCCCCOc1ccc(/C=N/NC(=O)COc2cc(C)c(Br)cc2C(C)C)cc1 40912128 JCAOENSADGFXPF-JVWAILMASA-N 489.454 6.369 50 10 JKGE C[C@@H](NC(=O)/C(C#N)=C/c1cn(Cc2ccc(Cl)cc2Cl)c2ccccc12)c1ccccc1 59255446 FDDFZTFCAMIGGR-KOMLCTQHSA-N 474.391 6.781 50 10 JKGE C[C@H](NC(=O)/C(C#N)=C/c1cc(Br)ccc1OCc1ccc(F)cc1)c1ccccc1 59297260 GBTQZORBNKSAIA-RSZPVBOMSA-N 479.349 5.952 50 10 JKGE CC1=C(C(=O)N/N=C/c2ccc(Cl)cc2Cl)[C@H](c2ccc(Cl)cc2Cl)NC(=S)N1 59384942 DLRUBGORQGITJL-RDJCKRGXSA-N 488.227 5.243 50 10 JKGE COc1cccc(/C=C2\CCCC3=C2OC(N)=C(C#N)[C@@H]3c2cccc(OC)c2OC)c1OC 96594335 CTVLQMQEWOKQLT-INJZMFEXSA-N 460.530 5.050 50 10 JKGE COc1ccc(CN2C(=O)C(C#N)=C(C)/C(=C\c3ccc(OCc4ccccc4)c(OC)c3)C2=O)cc1 101340029 QFAKYOMBKBZZEH-MFKUBSTISA-N 494.547 5.075 50 10 JKGE Cc1cc(C)cc(OCCOc2ccc(/C=C(/C#N)C(=O)Nc3nc4ccccc4s3)cc2)c1 102444153 DGWKNKNEIKAIQP-PGMHBOJBSA-N 469.566 5.917 50 10 JKGE CCCCCCCCCCOc1ccc(C(=O)N/N=C/c2c(C)nn(Cc3ccccc3)c2C)cc1 103726078 GAQQMGPLJWPBHE-DFKUXCBWSA-N 488.676 6.832 50 10 JKGE COc1cccc(N/C(SCc2cccc([N+](=O)[O-])c2)=C(\C#N)C(=O)NCc2cccs2)c1 105422595 ZGGCFHHZXXPVOX-LNVKXUELSA-N 480.571 5.062 50 10 JKGE CCC1(CC)[C@@H](Br)C[C@H]1Oc1cc(Br)c(OC)cc1Br 118819509 QDJZMPPEPOKNTD-UONOGXRCSA-N 471.027 5.941 50 10 JKGE Cc1cc(Br)c([C@@H](Br)c2ccccc2C(F)(F)F)cc1Br 128772607 BRLQIZPYZGVFCG-AWEZNQCLSA-N 486.951 7.023 50 10 JKGE Cc1cc(Br)c([C@@H](Br)[C@@H]2COc3ccccc32)cc1Br 128787213 VINBBZHZICPWKJ-MLGOLLRUSA-N 460.991 6.132 50 10 JKGE Clc1cc2c(c([C@@H](Br)c3cc(Br)ccc3Br)c1)OCC2 161123590 KWYATGFEMGVBRG-AWEZNQCLSA-N 481.409 6.284 50 10 JKGE Clc1cccc(C(CBr)(CBr)Cc2ccc(Br)cn2)c1 169004496 AHOUJCGOOVGZCQ-UHFFFAOYSA-N 482.441 5.768 50 10 JKGE Fc1ccc([C@H](Br)c2cc(Br)c(Br)s2)cc1Cl 212966633 NSFANKVIMPSNQN-JTQLQIEISA-N 463.391 6.550 50 10 JKGE CC1=C(C#N)C(=O)N([C@H](C)c2ccccc2)C(=O)/C1=C\c1ccc(OCc2ccc(C)cc2)cc1 214344016 LPULYSUPCQWILY-AWXAQXEGSA-N 462.549 5.928 50 10 JKGE CC(C)(C)[Si](C)(C)Oc1ccc(NC(=O)c2ccc(-c3ccnc4ccc(C=O)cc34)s2)cc1 218160957 CKMMAJFOWVKGEN-UHFFFAOYSA-N 488.685 7.412 50 10 JKGE COc1ccc(/C=C(/C#N)C(=O)Nc2ccc(C)c(C)c2)cc1Oc1nc(Cl)ncc1F 218425719 UPPFHQYXQUPUTI-SXGWCWSVSA-N 452.873 5.233 50 10 JKGE Brc1ccc([C@H](Br)c2cccc3ccccc23)c(Br)c1 232482642 ANLTVRPXKDNSGY-QGZVFWFLSA-N 454.987 6.849 50 10 JKGE CN(Cc1cc(Br)cs1)c1ccc(CBr)cc1Br 234294435 NKZRQMUHZKHDFS-UHFFFAOYSA-N 454.025 5.804 50 10 JKGE COc1cc(Cl)c([C@H](Cl)c2cc(Br)sc2Br)cc1Cl 234901952 STXSDOWYYVLIQX-NSHDSACASA-N 465.421 6.917 50 10 JKGE Cc1cc([C@H](Br)c2cc(Br)cc(Br)c2)c(C)cc1Cl 235856760 USIPSFMINVSSFG-OAHLLOKOSA-N 467.426 6.966 50 10 JKGE Clc1ccc([C@H](Cl)c2cc(Br)sc2Br)c2ccccc12 236038673 OMCRHDKSSZMBLI-AWEZNQCLSA-N 451.010 7.408 50 10 JKGE Fc1cc([C@@H](Cl)c2cc(Br)cc(Br)c2)c(F)cc1Br 236226472 CKLINXKADHOFBL-ZDUSSCGKSA-N 475.352 6.581 50 10 JKGE O=C(NN=Cc1cccc(Oc2ccccc2)c1)c1ccc(NS(=O)(=O)c2ccccc2)cc1 254354305 YMDVXIFAOIUVFC-UHFFFAOYSA-N 471.538 5.044 50 10 JKGE COc1cc(C=NNC(=O)c2cc(-c3ccccc3)nc3ccccc23)ccc1OC(=O)c1ccco1 254590762 DYJZLLWCPZKMHK-UHFFFAOYSA-N 491.503 5.487 50 10 JKGE 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@@]12C 254700010 WUBOZGDSEKAKCR-HYMDRBFZSA-N 465.162 8.258 50 10 JKGE CCCCOc1ccc(C(=O)NN=Cc2ccc(OC(=O)c3ccc(C)cc3)c(OC)c2)cc1 254734905 OJWAWVCQTFZHHX-UHFFFAOYSA-N 460.530 5.166 50 10 JKGE O=C(CSc1nnc(-c2ccccc2)s1)NN=Cc1cccc(OCc2ccccc2)c1 256028460 NRFIAVKQRKFFCK-UHFFFAOYSA-N 460.584 5.027 50 10 JKGE O=C(OCc1ccccc1)N1C[C@@H](CBr)[C@@H](c2ccc(F)cc2Br)C1 382717989 LTZVOZKHFPLNFE-PBHICJAKSA-N 471.164 5.335 50 10 JKGE Brc1cc2c(cc1[C@@H](Br)c1ncsc1Br)CCO2 698683222 RYFLLJYYQNTYKO-SNVBAGLBSA-N 453.981 5.087 50 10 JKGE COc1cc(F)c([C@H](Br)c2scc(Br)c2Br)c(F)c1 705463382 IUDNGXLGGMSUQV-NSHDSACASA-N 476.962 6.044 50 10 JKGE CC[C@H](C[C@H](Br)c1cc(Br)c(C)cc1Br)C(C)(C)C 711129307 FSKHUUHRIFSFMB-ABAIWWIYSA-N 455.072 7.418 50 10 JKGE COc1cc(CBr)cc(Br)c1OC[C@@H](C)COCc1ccccc1 719524525 SZTQLQWPDRUZII-AWEZNQCLSA-N 458.190 5.584 50 10 JKGE Cc1ccc([C@H](Br)c2ccc(Cl)cc2Br)c(C)c1Br 719533313 DDLUBLGBUOKSQJ-HNNXBMFYSA-N 467.426 6.966 50 10 JKGE BrCC(CBr)(Cc1sncc1Br)C1CCCCC1 719877812 DXDNECCSASGWIF-UHFFFAOYSA-N 460.073 5.805 50 10 JKGE C[C@H]1Cc2cc(Br)cc([C@H](Br)c3cc(Cl)sc3Cl)c2O1 720049703 GMKHDJYPYZUBSW-QTTZVWFDSA-N 457.014 6.625 50 10 JKGE Cc1sc([C@H](Br)c2ccc(Br)c(F)c2)c(C)c1Br 724928836 RVAYAZGBMPVVBS-GFCCVEGCSA-N 457.000 6.513 50 10 JKGE CC(C)(C)c1ccc(C(=O)Nc2ccc(C(=O)NN=Cc3c4ccccc4cc4ccccc34)cc2)cc1 1083960997 OIEHHXLAYDRHNI-UHFFFAOYSA-N 499.614 7.307 50 10 JKGE O=C(NN=Cc1cccc(OCc2cccc3ccccc23)c1)c1cccc(Br)c1 1084114658 DBBOPXOVNXXCBH-UHFFFAOYSA-N 459.343 5.945 50 10 JKGE O=C(NN=Cc1cccc(OCc2cccc3ccccc23)c1)C(O)(c1ccccc1)c1ccccc1 1084137968 KBFITXNWBOEGOP-UHFFFAOYSA-N 486.571 5.805 50 10 JKGE CCOc1ccc(C(=O)NN=Cc2c(C)n(Cc3ccc(Cl)c(Cl)c3)c3ccccc23)cc1 1084212113 ZFQGNFOAPMMGIE-UHFFFAOYSA-N 480.395 6.467 50 10 JKGE Cc1ccc(C(=O)NN=C2CCCc3oc(C(=O)Nc4cccc5cccnc45)c(C)c32)cc1 1772745307 XVLAHIMGOGUMJQ-UHFFFAOYSA-N 452.514 5.167 50 10 JKGE N#CSc1ccc(NC(=O)c2cccc(NC(=O)COc3ccc(Cl)cc3Cl)n2)cc1 1860555206 BULKJROTSCYPPD-UHFFFAOYSA-N 473.341 5.231 50 10 JKGE Cc1ccc(C)c(Cn2nc(-c3ccccc3)c3c2OC(N)=C(C#N)[C@@H]3c2ccc(C(C)(C)C)cc2)c1 1865682095 FWSDIGXNOGHMAR-MHZLTWQESA-N 488.635 6.731 50 10 JKGE C=CCOc1ccccc1[C@H]1C(C#N)=C(N)Oc2c1c(C(F)(F)F)nn2-c1ccccc1Cl 1865690875 DEXZEPMDYRVTMO-SFHVURJKSA-N 472.854 5.327 50 10 JKGE CCOc1cc([C@@H]2C(C#N)=C(N)Oc3c2c(C)nn3-c2ccccc2)ccc1OCc1ccccc1 1865694670 YYJQJPIIMZROIE-HHHXNRCGSA-N 478.552 5.377 50 10 JKGE CCc1nn(-c2ccccc2)c2c1[C@@H](c1ccc(OCc3ccccc3C)cc1)C(C#N)=C(N)O2 1865702439 AHHYXWZIIIONJF-SANMLTNESA-N 462.553 5.540 50 10 JKGE CCCc1nn(Cc2ccccc2F)c2c1[C@@H](c1cccc(OCc3ccccc3)c1)C(C#N)=C(N)O2 1865711605 CIZBQSYDMZTQDM-MHZLTWQESA-N 494.570 5.820 50 10 JKGE CCc1nn(-c2ccccc2Cl)c2c1[C@@H](c1ccc(Br)cc1)C(C#N)=C(N)O2 1865714675 NGTCJLJBGXRATH-SFHVURJKSA-N 455.743 5.069 50 10 JKGE C/C(=C\c1cccc(Cl)c1)C(=O)N[C@@H](Cc1ccc(F)cc1)C(=O)Nc1ccc(SC#N)cc1 1866817278 WTIMVCNGPFODBC-VRBZIXIWSA-N 493.991 5.822 50 10 JKGE COc1ccc(N(C)c2cc(Nc3ccc(SC#N)cc3)nc(-c3ccccc3C)n2)cc1OC 1868300382 DKWGOPLDPUNOJX-UHFFFAOYSA-N 483.597 6.554 50 10 JKGE Cc1ccccc1-c1nc(Nc2ccc(SC#N)cc2)cc(N2C[C@H](C)Cc3ccccc32)n1 1868301820 ZOEJVNQYRBDXKG-LJQANCHMSA-N 463.610 7.099 50 10 JKGE CC[C@@H](C)[C@@H](/C(O)=C(\C#N)c1nc(-c2ccc([N+](=O)[O-])cc2)cs1)N1C(=O)c2ccccc2C1=O 1872747283 VYFGMLCFLCHZDO-UDGWVDNDSA-N 488.525 5.222 50 10 JKGE N#C/C(=C(/O)c1ccc2c(c1)C(=O)N(C1CCCCC1)C2=O)c1nc(-c2ccc(Cl)cc2)cs1 1872748304 RTOHDKMFLWVLEK-LNVKXUELSA-N 489.984 6.342 50 10 JKGE COc1c(C)cc(C)cc1-c1csc(/C(C#N)=C(\O)[C@H]2CC(=O)N([C@H](C)c3ccccc3)C2)n1 1872755032 VLDFTJBMZYRZIN-YQRFUKSXSA-N 473.598 5.838 50 10 JKGE Cc1cc(C)c(-c2csc(/C(C#N)=C(\O)CCCN3C(=O)c4ccccc4C3=O)n2)c(C)c1 1872756880 FVKVAADEKJXZEL-XDOYNYLZSA-N 457.555 5.604 50 10 JKGE COc1c(C)cc(Cl)cc1-c1csc(/C(C#N)=C(\O)[C@@H](C)Oc2ccccc2C(C)C)n1 1872757052 ONGKICOPIPTFNO-LTRAUPRXSA-N 469.006 7.164 50 10 JKGE CCCCCCCOc1ccc(-c2csc(/C(C#N)=C/c3ccc(O)c([N+](=O)[O-])c3)n2)cc1 1872791488 KQEFYBPETNQHCR-XSFVSMFZSA-N 463.559 6.837 50 10 JKGE COc1cc(/C=C(\C#N)c2nc(C(C)C)cs2)ccc1OCc1c(Cl)cccc1Cl 1872791671 OCUZRCUYXFMDNI-CXUHLZMHSA-N 459.398 7.225 50 10 JKGE CCCCCCCCCOc1ccc(/C=N/NC(=O)[C@@H]2CCCN2C(=O)OC(C)(C)C)cc1OC 1873794989 MJVIFXFDJTYIOH-YZMYJVHESA-N 489.657 5.674 50 10 JKGE CC[C@@H]1C[C@@H]1C[C@H](Cl)c1c(Br)sc(Br)c1Br 1902788645 NJCIRFDPYLDDOT-QYNIQEEDSA-N 451.449 6.752 50 10 JKGE CC[C@H](Cl)CN(Cc1ccccc1)C(=O)c1c(Br)cccc1Br 1915097446 VPNXIMGDKOWCOW-AWEZNQCLSA-N 459.609 5.871 50 10 JKGE O=C(c1c(Cl)cccc1C(F)(F)F)N(Cc1ccccc1)C1(CBr)CCC1 1915741902 QCUSKYVNKYVOID-UHFFFAOYSA-N 460.721 6.319 50 10 JKGE Cc1ccc(C[C@@H](Br)c2sc(Br)c(C)c2Br)cc1 1922945271 DVZYHVFFSAEZAP-LLVKDONJSA-N 453.037 6.569 50 10 JKGE Cc1cccc(Br)c1[C@@H](Cl)c1c(Br)sc(Br)c1Cl 1923037714 FFZXIESNRHEHHB-SECBINFHSA-N 493.873 7.326 50 10 JKGE Clc1c(Br)sc(Br)c1[C@H](Cl)C12CC3CC(CC(C3)C1)C2 1923050697 YOBRHHJDCJZYRB-KRCHHAKFSA-N 459.074 7.423 50 10 JKGE Clc1c(Br)sc(Br)c1[C@H](Br)[C@@H]1C[C@H]2CC[C@@H]1O2 1923065319 AXUQMHGENIDLEO-MNCSTQPFSA-N 465.432 5.930 50 10 JKGE FC1(F)[C@H]([C@@H](Cl)c2c(Br)sc(Br)c2Br)C12CC2 1924571381 QULLNHAJZCWNGA-NTSWFWBYSA-N 471.386 6.361 50 10 JKGE FC(F)(F)COCC[C@@H](Cl)c1c(Br)sc(Br)c1Br 1924590239 IKZCURLTRUWHHB-SCSAIBSYSA-N 495.380 6.285 50 10 JKGE COc1ccc([C@@H](Br)c2c(Cl)sc(Br)c2Cl)c(OC)c1 1925599267 MSFKHGNXZVRBKY-SNVBAGLBSA-N 461.002 6.319 50 10 JKGE FC1(F)[C@H]([C@@H](Br)c2cc(Br)sc2Br)C12CCC2 1944839385 JUQQOCLMKGTJIF-JGVFFNPUSA-N 450.968 6.145 50 10 JKGE Cc1csc([C@@H](Br)c2c(Cl)sc(Br)c2Cl)c1Br 1950883123 ZMNYFUWVIDMCAB-LURJTMIESA-N 499.902 7.434 50 10 JKGE Cc1cc(Br)c([C@@H](Cl)c2cc(Br)sn2)cc1Br 2007643804 LVVPXFZHSARUOV-LLVKDONJSA-N 460.416 6.067 50 10 JKGE O=C(CCN1CCN(C(c2ccccc2)c2ccccc2)CC1)N/N=C/c1c(Cl)cccc1Cl 2033817570 SPBADXYAYREBIQ-TWKHWXDSSA-N 495.454 5.241 50 10 JKGE Cc1cc(C=C(C#N)c2nc3ccccc3n2C)c(C)n1-c1ccc(Cl)c(C(F)(F)F)c1 2040446899 LVPKSBSIPBDRAR-UHFFFAOYSA-N 454.883 6.717 50 10 JKGE Brc1cc(Br)c([C@@H](Br)[C@H]2CCn3nccc3C2)s1 2046632017 ZBZCIOGHZWORMW-CPCISQLKSA-N 455.013 5.168 50 10 JKGE Cc1nc([C@@H](Br)c2cc(Br)c(Cl)cc2F)c(Br)s1 2050335098 PAZFHSHVZDZJMV-VIFPVBQESA-N 478.406 6.253 50 10 JKGE FC1(F)CC[C@@H]2[C@H]([C@H](Br)c3c(Br)sc(Br)c3Cl)[C@H]21 2051238222 HZMXVQURPPZTQH-HBGVPEAKSA-N 485.413 6.654 50 10 JKGE Cc1cc(Br)c(CBr)c(N2C[C@@H]3CCN(Cc4ccccc4)[C@@H]3C2)c1 2068562523 OCNDHPOXZCYGGT-LAUBAEHRSA-N 464.245 5.363 50 10 JKGE Cc1cc(Br)c(F)c([C@H](Br)Cc2cccc(Br)c2)c1 2089375073 TWLCMGPFFVGMLC-CYBMUJFWSA-N 450.971 6.338 50 10 JKGE BrCc1ccc(N2CC[C@@H]3CCN(Cc4ccccc4)C[C@H]3C2)cc1Br 2092525142 XAZBSZRJQGFFEY-ICSRJNTNSA-N 478.272 5.692 50 10 JKGE C[C@@H]1CCO[C@@H]1CCOc1c(Br)cc(Br)cc1CBr 2101103332 NXMDWCDABNVDPG-NOZJJQNGSA-N 457.000 5.300 50 10 JKGE O=C(Nc1ccc(Cl)c(I)c1Cl)[C@H](Br)C1CCCC1 2110729072 WBONWRBIUOXJIJ-SNVBAGLBSA-N 476.967 5.490 50 10 JKGE Cc1cc([C@@H](Cl)c2cc(I)ccc2F)c(C)cc1Br 2113358465 QWYZMCCBLHZAIG-OAHLLOKOSA-N 453.520 6.138 50 10 JKGE COc1ccc([C@H](Br)c2ccc(I)cc2)c(Cl)c1Cl 2138640822 GOGQECLOXVNXPQ-GFCCVEGCSA-N 471.947 6.091 50 10 JKGE Cl[C@H](c1c(Br)sc(Br)c1Br)[C@H]1C[C@H]2COC[C@H](C2)C1 2141803853 UWLVCABSWUEREX-PJFCORBGSA-N 493.486 6.378 50 10 JKGE Cc1cc([C@@H](Br)c2ccc(C)c(Br)c2C)ccc1I 2142122095 WKURAMFEYVJAFW-MRXNPFEDSA-N 494.008 6.463 50 10 JKGE Cc1cc2sc([C@H](Br)c3cc(Br)c(C)cc3Br)cc2s1 2156564138 FFJKJJFQNBURKT-OAHLLOKOSA-N 495.099 7.589 50 10 JKGE CC(C)(C)OC(=O)N1CCCN(CCCCCCCCCBr)CC(F)(F)C1 2163061050 DUJFFDHETZFZIR-UHFFFAOYSA-N 455.428 5.690 50 10 JKGE COc1c(C)cc(Br)c(C)c1[C@H](Br)c1cn(C)nc1Br 2173181501 DXMLKQWETHCXDZ-GFCCVEGCSA-N 466.999 5.055 50 10 JKGE C[C@@H]1CC[C@@H](C(C)(C)Cc2cc(Br)ccc2Br)[C@H](Br)C1 2175145360 TUOMHRWPTWBOEM-DJSGYFEHSA-N 467.083 6.980 50 10 JKGE CCCCCCCC[C@@H](Br)c1c(C)c(Br)cc(C)c1Br 2201073376 ZPCYQMMODLJVTM-CQSZACIVSA-N 469.099 8.015 50 10 JKGE COc1cc(F)c([C@@H](Br)c2cccc(F)c2Br)cc1Br 2202904713 VUAAVQHSCAGEKH-ZDUSSCGKSA-N 470.933 5.983 50 10 JKGE COc1c(Br)cc(C)cc1[C@H](Br)c1c(Br)c(C)nn1C 2203816658 LCVHRXFLMLISEO-LBPRGKRZSA-N 466.999 5.055 50 10 JKGE COc1c(Br)cc(C)cc1[C@H](Br)c1cc(F)cc(Br)c1 2203830857 XQQHHACOEBBODA-CQSZACIVSA-N 466.970 6.152 50 10 JKGE COc1c(C)cc(Br)cc1[C@H](Br)c1nn(C)c(Cl)c1Br 2206588131 XVTMUKOFIHPTOO-VIFPVBQESA-N 487.417 5.400 50 10 JKGE CC[C@@H](Br)CN(Cc1ccccc1)C[C@H]1CC1(Br)Br 2208984633 YSKFOAKZEZDKSL-ZIAGYGMSSA-N 454.044 5.168 50 10 JKGE Cc1cc([C@H](Br)c2sc(Br)c(C)c2C)sc1Br 2213618769 JGSQLDIKCQGDNA-VIFPVBQESA-N 459.066 6.744 50 10 JKGE COc1cc(C)ccc1[C@H](Br)c1cc(Br)sc1Br 2218598688 VHJPRPYNUJZTCO-LBPRGKRZSA-N 455.009 6.074 50 10 JKGE Clc1cc(Br)ccc1C[C@@H](Cl)c1cc(Br)c(Br)s1 2221700500 SQZXXTCAEXNUFP-SNVBAGLBSA-N 493.873 7.212 50 10 JKGE Br[C@@H](c1csc(I)c1)c1ccc([C@@H]2CCOC2)s1 2223715191 CEKARIWRYDGYLW-OQPBUACISA-N 455.180 5.402 50 10 JKGE Fc1cc(Br)c(Br)cc1[C@H](Br)c1cc2c(s1)CCC2 2225616605 HCAFHOJDGLBMDD-AWEZNQCLSA-N 469.011 6.385 50 10 JKGE ClCCc1nc2cc(Br)c(Br)cc2n1C1CC(Br)C1 2225700005 CJOXWGMPVBALRX-UHFFFAOYSA-N 471.418 5.441 50 10 JKGE ClCCc1nc2cc(Br)c(Br)cc2n1C[C@@H]1C[C@H]1Br 2225700636 GPCCDGJSEWNSSN-JGVFFNPUSA-N 471.418 5.126 50 10 JKGE Cc1cc(Br)c([C@@H](Br)[C@]23C[C@H](CCO2)C3)c(C)c1Br 2227360661 VDOROVLKGLLODA-KMUNFCNLSA-N 453.012 5.834 50 10 JKGE COc1ccc([C@@H](Cl)c2cc(C)ccc2I)cc1Br 2232222026 FZWSFVCOFAJKAN-OAHLLOKOSA-N 451.529 5.699 50 10 JKGE CC1(CO[C@]2(CBr)CCCN(C(=O)OC(C)(C)C)C2)CC2(CC(F)(F)C2)C1 2239153345 UBIRJFGGLDQPRT-IBGZPJMESA-N 452.380 5.383 50 10 JKGE FC1(F)C[C@@H]([C@@H](Cl)c2c(Br)sc(Br)c2Cl)C12CCC2 2266145186 SKLWTQFHZUSUNZ-CAHLUQPWSA-N 454.989 7.032 50 10 JKGE COc1cc(Br)c(Oc2ccncc2CBr)cc1Br 2266470142 YZHTYDOZFRXBSV-UHFFFAOYSA-N 451.940 5.302 50 10 JKGE COc1ccc([C@H](Cl)c2ccc(C)cc2Br)cc1I 2269540623 HASMQYVOFPXPNC-HNNXBMFYSA-N 451.529 5.699 50 10 JKGE FC1CC2(C1)CC(CBr)(Cc1c(Br)cccc1Br)C2 2272093249 RLKDGXCQDJUDTP-UHFFFAOYSA-N 455.003 6.048 50 10 JKGE C[C@H](Br)CN(C(=O)c1cc(Br)cc(Br)c1)C(C)(C)C 2272453399 QECOCORUENLXSF-VIFPVBQESA-N 456.016 5.236 50 10 JKGE FC1(F)[C@@H]([C@@H](Br)Cc2cc(Br)cc(Br)c2)C12CCC2 2277962005 AZMMYNJKGZDPEN-RYUDHWBXSA-N 458.966 5.953 50 10 JKGE COc1ccc([C@H](Cl)c2scc(Br)c2Cl)c(OC)c1Br 2279283483 NDWUHPCYEGZIFJ-JTQLQIEISA-N 461.002 6.272 50 10 JKGE CC1(C)[C@@H]2CC([C@H](Br)c3c(F)cc(Br)c(F)c3Br)C[C@H]21 2288373089 FJFKXPOKTJZIPA-RWYTXXIDSA-N 472.993 6.608 50 10 JKGE Fc1cc(Br)c(F)c(Br)c1[C@H](Br)C1C[C@H]2CC[C@H](C1)C2 2288499429 UABYEBIEXROACO-UVPNAGLESA-N 472.993 6.752 50 10 JKGE N#CC(=Cc1cccc([N+](=O)[O-])c1)C(=O)Nc1ncc(Cc2ccc(Cl)cc2Cl)s1 2293038766 YKCIZAZPWOWIDC-UHFFFAOYSA-N 459.314 5.495 50 10 JKGE N#CC(=Cc1c[nH]c2ccc(OCc3ccccc3)cc12)C(=O)Nc1ccc(Br)cc1 2294510820 NVEZRSAKRULCPI-UHFFFAOYSA-N 472.342 6.055 50 10 JKGE CN(C(=O)Cc1cc(Br)cc(Br)c1)[C@H](CBr)C(C)(C)C 2295316702 BMZKSLAFSCPMBN-CYBMUJFWSA-N 470.043 5.022 50 10 JKGE COc1cc(OC)c([C@@H](Br)c2ccc(OCc3ccccc3)cc2)cc1Br 2295439014 XNRPNDUXMSIFAW-QFIPXVFZSA-N 492.207 6.530 50 10 JKGE CCOc1cc(C=C(C#N)C(=O)Nc2ccccc2C(=O)OC)ccc1OCc1ccc(Cl)cc1 2295459672 LWHGTGJTZRMWGT-UHFFFAOYSA-N 490.943 5.650 50 10 JKGE N#CC(=CNc1ccc(Br)cc1)c1nc(-c2cc3cc([N+](=O)[O-])ccc3oc2=O)cs1 2295891515 BIFMXYZNAPUQMW-UHFFFAOYSA-N 495.314 5.564 50 10 JKGE CCn1c2ccccc2c2cc(NC=C(C#N)c3nc(-c4ccc(OC)cc4)cs3)ccc21 2295937319 VOAFZGRZROHQAM-UHFFFAOYSA-N 450.567 6.923 50 10 JKGE Cc1ccc(C[C@@H]2SC(=C(C#N)C(=O)Nc3cc(C)ccc3C)N(c3ccccc3)C2=O)cc1 2296834462 QOHBFJHXUYYQRG-VWLOTQADSA-N 467.594 5.677 50 10 JKGE N#CC(C(=O)NCc1ccco1)=C1S[C@@H](Cc2ccc(Cl)c(Cl)c2)C(=O)N1c1ccccc1 2296834792 BJXIWIZOIBIGIK-NRFANRHFSA-N 498.391 5.329 50 10 JKGE Fc1ccc([C@@H](Br)c2ccc(OCc3ccccc3)cc2Br)cc1 2299499046 XDNVSDLRLSQXAU-HXUWFJFHSA-N 450.145 6.652 50 10 JKGE Cc1ccc(NC(=O)C(C#N)=Cc2cn(Cc3ccc(Br)cc3)c3ccccc23)cc1C 2313676871 RWVUUGXWNXAVMN-UHFFFAOYSA-N 484.397 6.615 50 10 JKGE COC(=O)c1cccc(Cn2cc(C=C(C#N)C(=O)Nc3cccc(OC)c3)c3ccccc32)c1 2313730203 FECSVSHFQZTEOA-UHFFFAOYSA-N 465.509 5.030 50 10 JKGE Cc1ccc(Cl)cc1NC(=O)C(C#N)=Cc1cc(Cl)ccc1OCc1cccc(Cl)c1 2313738861 UNEHYONVOXCZAX-UHFFFAOYSA-N 471.771 7.080 50 10 JKGE Brc1ccc(OCc2ccccc2)c([C@@H](Br)C2CC(C3CCC3)C2)c1 2314438719 AUWLPEKLBNDPCW-IRZJEQJZSA-N 464.241 7.290 50 10 JKGE Cc1ccc(C)c([C@H](Br)c2cc(Br)ccc2OCc2ccccc2)c1 2314448892 LKONDHSRACQHAY-QFIPXVFZSA-N 460.209 7.129 50 10 JKGE C[C@H](C1CCCCC1)[C@@H](Br)c1cc(Br)ccc1OCc1ccccc1 2314456418 WXUVLQCYWIWHJX-OPAMFIHVSA-N 466.257 7.681 50 10 JKGE Fc1ccc(Cl)cc1[C@H](Br)c1ccc(OCc2ccccc2)cc1Br 2314499422 CIJFTKWDTNIQIG-HXUWFJFHSA-N 484.590 7.305 50 10 JKGE CCCOc1ccc(C=C(C#N)C(=O)Nc2nc(-c3ccc(Br)cc3)c(CC)s2)cc1 2314793276 QJSADFQMUXIPSF-UHFFFAOYSA-N 496.430 6.469 50 10 JKGE CCCc1sc(Br)cc1[C@H](Br)c1cn(C)nc1Br 2316187986 UFIGLGMRMVAUPW-NSHDSACASA-N 457.029 5.443 50 10 JKGE COc1ccc([C@H](Cl)c2sc(Cl)cc2I)cc1Br 2316775332 QXKIBLFLHSGRFN-NSHDSACASA-N 477.976 6.105 50 10 JKGE CC1(C)C2CCC1([C@H](Br)c1sc(Cl)cc1I)CC2 2316777596 OPDMLGTXYNNRRP-YEMQSEFVSA-N 459.618 6.659 50 10 JKGE FC(F)(F)CC1([C@H](Br)c2sc(Cl)cc2I)CCC1 2316777757 PXMLQLHUKZZIAG-SECBINFHSA-N 473.523 6.565 50 10 JKGE COc1ccc(C(C#N)=Cc2ccc(OC(=O)c3ccc(-n4cccc4)cc3)c(OC)c2)cc1OC 2320506105 BQRTXVBZLYTXLZ-UHFFFAOYSA-N 480.520 5.786 50 10 JKGE CCOc1ccc(C=CC(=O)Oc2ccc(C=C(C#N)c3ccccc3OC)cc2OC)cc1OC 2320507073 YBMCVJDGVSQKTQ-UHFFFAOYSA-N 485.536 5.794 50 10 JKGE CCOc1cc(C=NNC(=O)Nc2ccc(Cl)cc2)ccc1OCc1cc(C)ccc1C 2323839628 LQTMKDAUXPPFJV-UHFFFAOYSA-N 451.954 6.090 50 10 JKGE CCOc1cc(C=C(C#N)c2ccc(Cl)cc2F)ccc1OCc1ccc(Cl)cc1Cl 2331063873 KINSITVZGLZTJB-UHFFFAOYSA-N 476.762 7.828 50 10 JKGE COc1ccc(OCCCC(O)=C(C#N)c2nc(-c3ccc(-c4ccccc4)cc3)cs2)cc1 2331232048 MJKSRBKBOQPPCP-UHFFFAOYSA-N 468.578 7.138 50 10 JKGE CCCOc1ccc(-c2csc(C(C#N)=C(O)c3cc([N+](=O)[O-])ccc3Cl)n2)cc1OCCC 2331293607 GBXIGDPGTLAERZ-UHFFFAOYSA-N 499.976 6.899 50 10 JKGE CCOc1ccc(C=CC(O)=C(C#N)c2nc(-c3cc(C(C)C)c(OC)cc3C)cs2)cc1OC 2331353886 IKHBMTUKXPVEAU-UHFFFAOYSA-N 490.625 7.164 50 10 JKGE CCOc1ccc(C=CC(O)=C(C#N)c2nc(-c3cc(OCC)ccc3OCC)cs2)cc1 2331376624 ZYRRQTSGGIESPM-UHFFFAOYSA-N 462.571 6.512 50 10 JKGE COc1cc(-c2csc(C(C#N)=C(O)c3ccccc3Br)n2)c(OC)cc1Cl 2331377162 RKFJYDVICSNFHT-UHFFFAOYSA-N 477.767 6.193 50 10 JKGE CCc1ccc(OCCCC(O)=C(C#N)c2nc(-c3cc(C)c(Cl)cc3OC)cs2)cc1 2331390182 PVPHHGQJZIQKSO-UHFFFAOYSA-N 469.006 6.995 50 10 JKGE Brc1cc(OCc2ccccc2)ccc1[C@@H](Br)c1cccc2ccsc12 2336038173 KVCBMFIQWQFLJB-OAQYLSRUSA-N 488.244 7.727 50 10 JKGE Brc1ccc(OCc2ccccc2)c([C@H](Br)[C@@H]2CC3(CCCC3)CO2)c1 2336056714 LCJGMUPWKMPFKR-SFTDATJTSA-N 480.240 6.813 50 10 JKGE Cc1c(Cl)sc(Cl)c1[C@@H](Cl)Cc1cc(Br)cc(Br)c1 2336088592 HWYJECQTWGEJAV-JTQLQIEISA-N 463.449 7.411 50 10 JKGE CC1(C)CC[C@H](Br)[C@@H](Cc2ccc(Cl)c(I)c2)CC1 2337278658 IYWISNPLEDWIFB-OLZOCXBDSA-N 455.605 6.467 50 10 JKGE CCC[C@@H](C(C)C)[C@@H](Br)c1c(C)cc(Br)c(F)c1Br 2339653109 GDDOBBUMMXKQFT-GXFFZTMASA-N 459.035 7.167 50 10 JKGE Cc1cc(Br)c(F)c(Br)c1[C@H](Br)c1cc(Cl)n(C)n1 2339682278 QRYLLUVYJRYDAR-SNVBAGLBSA-N 475.381 5.530 50 10 JKGE CC1=C(C)C[C@](CBr)(Cc2ccc(Cl)cc2I)CC1 2343448432 FLNLUZVGYVWUPV-INIZCTEOSA-N 453.589 6.389 50 10 JKGE Cc1ccc(CBr)c(OCc2ccc(I)c(Br)c2)c1 2349805243 FTAAEAJNQZBYHQ-UHFFFAOYSA-N 495.980 5.836 50 10 JKGE CCCOc1ccc(CBr)c(OCc2sccc2I)c1 2364097264 DSNJDWFLHBJTCO-UHFFFAOYSA-N 467.166 5.615 50 10 JKGE CC(C)CO[C@@H]1[C@H](Br)C[C@H]1OCc1ccc(Cl)cc1I 2365636332 REHPFAMXHBAUAJ-BPLDGKMQSA-N 473.576 5.038 50 10 JKGE Clc1ccc(I)cc1C[C@H]1CCc2ccccc2[C@@H]1Br 2380540902 CULHCMIXGNTCEF-SJKOYZFVSA-N 461.568 6.186 50 10 JKGE COc1ccc(/C(C#N)=C\c2cccc(OC(=O)CC(c3ccccc3)c3ccccc3)c2)cc1OC 31902911 MJGIZKMNPAHYRR-IMRQLAEWSA-N 489.571 6.896 50 10 JKGE N#C/C(=C\c1ccc2noc(-c3ccccc3)c2c1)C(=O)Nc1sc2c(c1C#N)CCCC2 35518753 OEAWBCFMDFQVHP-LDADJPATSA-N 450.523 5.852 50 10 JKGE C=CCOc1ccc(C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@H]3c2ccc(Cl)cc2Cl)cc1 38655416 IVIOXCUMIPPENB-DEOSSOPVSA-N 493.346 5.996 50 10 JKGE CCCOc1cccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4ccc(C(C)(C)C)cc4)ccc32)c1 38684362 KFDNMYLQCKBLCX-HHHXNRCGSA-N 482.580 6.210 50 10 JKGE N#CC1=C(N)Oc2cc(OC(=O)c3ccco3)ccc2[C@@H]1c1ccc(OCc2ccccc2F)cc1 38686418 UTWSETWFGDIYEL-SANMLTNESA-N 482.467 5.435 50 10 JKGE Cc1cc(C)c2c(C)c(C(=O)Oc3ccc4c(c3)OC(N)=C(C#N)[C@H]4c3ccc(Cl)cc3)oc2c1 38687807 MNXWGKSFNMSOJF-VWLOTQADSA-N 484.939 6.449 50 10 JKGE Cc1ccc(Oc2nc3c(C)cccn3c(=O)c2/C=C(/C#N)C(=O)Nc2ccccc2C)c(C)c1 39858870 VFMKRFZOQRCPRH-QNGOZBTKSA-N 464.525 5.266 50 10 JKGE CCCOc1ccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4oc5ccc(F)cc5c4C)ccc32)cc1 40530406 JWPKCGVYPZOBMP-AREMUKBSSA-N 498.510 6.107 50 10 JKGE COc1cccc(C(=O)N/N=C2\CCCc3oc(C(=O)Oc4cccc5ccccc45)c(C)c32)c1 40822427 OBGWHLVFVJUKRZ-QUPMIFSKSA-N 468.509 5.439 50 10 JKGE COc1cc(/C=C(\C#N)C(=O)NC(C)C)ccc1OC(=O)CCCOc1cc(C)c(Cl)c(C)c1 40948484 XVCSBIQEHUPHPR-DEDYPNTBSA-N 484.980 5.162 50 10 JKGE Cc1ccc(NC(=O)/C(C#N)=C\c2cc(Cl)c(OCc3ccc([N+](=O)[O-])cc3)c(Cl)c2)cc1 59335275 PTDBUOBYPHWFFP-ZDLGFXPLSA-N 482.323 6.335 50 10 JKGE N#C/C(=C/c1ccccc1OCc1cccc2ccccc12)C(=O)Nc1cccc(Cl)c1Cl 59336580 JJFHGJFIZFHSLV-QNGOZBTKSA-N 473.359 7.271 50 10 JKGE COc1cc(/C=N/NC(=O)c2ccc(-n3c(C)ccc3-c3ccccc3)cc2)cc(Cl)c1OCC#N 59679873 ZMGYFSVKELSZRM-FDAWAROLSA-N 498.970 5.781 50 10 JKGE N#C/C(=C/c1cn(Cc2ccccc2)nc1-c1ccccc1)C(=O)Nc1ccccc1C(F)(F)F 72120182 YCMVZRUBVJWLFO-QNGOZBTKSA-N 472.470 6.163 50 10 JKGE CC1(C)[C@@H](Br)C[C@H]1Oc1c(Br)cc([N+](=O)[O-])cc1Br 97647063 UVVZMNVFUYVVDH-VHSXEESVSA-N 457.944 5.061 50 10 JKGE CCCCN1C(=O)C(C#N)=C(C)/C(=C\c2cn(-c3ccccc3)nc2-c2cc(C)ccc2C)C1=O 101332987 TYIAQGURSLEQKL-PCLIKHOPSA-N 464.569 5.549 50 10 JKGE CCOc1ccccc1N/C(SCc1ccc(Cl)cc1)=C(\C#N)C(=O)NCc1cccs1 105422624 FFNKVBIKAJFZET-GFMRDNFCSA-N 484.046 6.197 50 10 JKGE COc1cc(Br)c([C@@H](Br)c2sccc2Br)cc1OC 111536419 UCMHFGOHCFSSIK-GFCCVEGCSA-N 471.008 5.775 50 10 JKGE Br[C@@H](c1ccc(Oc2ccccc2)cc1)c1csc(I)c1 124408322 ALLRYVQCVJKZMB-KRWDZBQOSA-N 471.157 6.629 50 10 JKGE COc1c(Br)cc(Cl)cc1[C@H](Br)c1cc(C)c(Br)s1 126035988 FVKVXTZQYLRKNH-NSHDSACASA-N 489.454 6.728 50 10 JKGE CC[C@@H](c1ccccc1)[C@@H](Br)c1cc(Br)c(C)cc1Br 128763952 LEOTZGQAVMNQRZ-SUMWQHHRSA-N 461.035 7.150 50 10 JKGE COc1cc(C)c(Br)cc1[C@@H](Br)c1c(F)cccc1Br 161215735 WXDDAPYWQPKDIN-OAHLLOKOSA-N 466.970 6.152 50 10 JKGE C[C@@H]1CCC[C@](CBr)(NC(=O)c2cc(Br)ccc2Br)C1 161224672 CTPIKBZHEBAMKY-BMIGLBTASA-N 468.027 5.285 50 10 JKGE CCCCCCCCOc1ccc(/C=C2\C(=O)N(Cc3ccccc3)C(=O)C(C#N)=C2C)cc1OC 214282757 XWGOHKZHFKVIMB-BWAHOGKJSA-N 486.612 6.227 50 10 JKGE Brc1ccc(I)cc1[C@H](Br)Cc1ccccn1 232478400 RNKSVZUZCWUUDQ-CYBMUJFWSA-N 466.942 5.127 50 10 JKGE Cc1cc([C@H](Br)c2ccc(Cl)c(Br)c2)c(C)cc1Br 235861100 ROMAHCSZEMSJHC-OAHLLOKOSA-N 467.426 6.966 50 10 JKGE COc1cc(C=NNC(=O)c2cc3c(ccc4ccccc43)o2)cc(Br)c1OCC#N 252596690 CLCBNILALMWTAE-UHFFFAOYSA-N 478.302 5.023 50 10 JKGE CC(C)[C@H]1CC[C@@H](C)C[C@@H]1O[C@H](CI)c1cccc(Br)c1 253122428 JFYOHGQBINEJOZ-NKGKWGDASA-N 465.213 6.403 50 10 JKGE Clc1ccc(C=Nc2ccc(SSc3ccc(N=Cc4ccc(Cl)cc4)cc3)cc2)cc1 253640229 JPSLIIDRSWXSFJ-UHFFFAOYSA-N 493.484 9.294 50 10 JKGE Cc1c(C=NNC(=O)COc2ccc(C(C)(C)CC(C)(C)C)cc2[N+](=O)[O-])c2ccccc2n1C 254509870 PVXXXYPGNSCGFC-UHFFFAOYSA-N 478.593 5.638 50 10 JKGE CC(=NNC(=O)c1c(O)ccc2ccccc12)c1cccc(NC(=O)c2ccccc2Cl)c1 254612888 OIJFXCOVMYZIKH-UHFFFAOYSA-N 457.917 5.605 50 10 JKGE CCc1ccc(-n2c(C)cc(C=NNC(=O)C(O)(c3ccccc3)c3ccccc3)c2C)cc1 254790687 ICJZWUZOAWQWAS-UHFFFAOYSA-N 451.570 5.043 50 10 JKGE CCCOc1ccc(C(=O)Oc2ccc(C=NNC(=O)c3ccc(C)cc3)cc2OCC)cc1 254875549 YTVXYYHMHBNFPP-UHFFFAOYSA-N 460.530 5.166 50 10 JKGE O=C(CCN(Cc1ccccc1)Cc1ccccc1)Nc1cccc(-c2nc(CCl)cs2)c1 301136063 HWAKCEWBUZWMGE-UHFFFAOYSA-N 476.045 6.580 50 10 JKGE Cc1csc([C@H](Br)c2cc(I)cc3c2OCC3)c1Cl 302473419 GKLMRNFJWIIEQX-LLVKDONJSA-N 469.569 5.734 50 10 JKGE Cc1cccc([C@@H]2CN(C(=O)OC(C)(C)C)C[C@@H]2CI)c1Br 382721756 NULZWBYFQQTMFR-GXTWGEPZSA-N 480.184 5.143 50 10 JKGE CN(c1ccc(CBr)cc1Br)[C@H]1CCCN(Cc2ccccc2)C1 388394142 JXQPWQBPRMEUSB-SFHVURJKSA-N 452.234 5.445 50 10 JKGE C[C@H](Cl)c1nc2cc(I)ccc2n1C1[C@H]2CN(Cc3ccccc3)C[C@H]12 398403075 CQHHSCFRXXCZOM-JQFCIGGWSA-N 477.777 5.244 50 10 JKGE CN(C(=O)OC(C)(C)C)c1cccc([C@H]2CN(CCO[Si](C)(C)C(C)(C)C)CCO2)c1 616644933 LLHBBRSXUNBZMA-OAQYLSRUSA-N 450.696 5.453 50 10 JKGE CC1(C)C[C@H](Br)C[C@H](NC(=O)c2cc(Br)c(Br)s2)C1 693812461 DXOUQFGMOUJXFP-SFYZADRCSA-N 474.056 5.345 50 10 JKGE C[C@@H](Cl)c1nc2cccc(Cl)c2n1CC1(N(Cc2ccccc2)Cc2ccccc2)COC1 705607684 AIYZQJZSLJSPTN-HXUWFJFHSA-N 480.439 6.461 50 10 JKGE Clc1cc(Br)c(OCc2ccccc2Br)c(CBr)c1 708091446 VAPIUQVFSNWNJS-UHFFFAOYSA-N 469.398 6.339 50 10 JKGE FS(F)(F)(F)(F)c1cccc(N=Nc2ccc(N(c3ccccc3)c3ccccc3)cc2)c1 1082534142 KYYYHYMBASPLTJ-UHFFFAOYSA-N 475.486 10.229 50 10 JKGE CCOc1ccc(C(=O)NN=Cc2cn(Cc3ccc(Cl)cc3Cl)c3ccccc23)cc1 1083902738 GVBVDTNCSFIOJG-UHFFFAOYSA-N 466.368 6.159 50 10 JKGE C=CCOc1c(Br)cc(C=NNC(=O)[C@H](C)Sc2ccc(Cl)cc2)cc1OC 1084038827 DCFZTMMPOSSWQR-ZDUSSCGKSA-N 483.815 5.307 50 10 JKGE COc1ccc(C(=O)NN=Cc2ccc(Oc3ccc(C(F)(F)F)cc3[N+](=O)[O-])cc2)cc1 1084595554 KXSRCELBRSZYCF-UHFFFAOYSA-N 459.380 5.178 50 10 JKGE Cc1c(Cl)cccc1NC(=O)c1oc2c(c1C)C(=NNC(=O)c1ccc([N+](=O)[O-])cc1)CCC2 1772744805 JYGYHKWURUGCMV-UHFFFAOYSA-N 480.908 5.181 50 10 JKGE O=C(CSc1nc2ccccc2[nH]1)NN=Cc1ccc(OCc2c(F)cccc2Cl)cc1 1772760301 AJAWXFSIVUOXNN-UHFFFAOYSA-N 468.941 5.177 50 10 JKGE COc1ccc(-c2nn(Cc3cccc(F)c3)c3c2[C@H](c2ccc(Cl)cc2)C(C#N)=C(N)O3)cc1 1865683756 OUCGXSUTMJKRJC-HSZRJFAPSA-N 486.934 5.618 50 10 JKGE COc1cc([C@H]2C(C#N)=C(N)Oc3c2c(C)nn3Cc2ccc(Cl)c(Cl)c2)cc(Cl)c1O 1865707352 VDLUTAHRRCDGBQ-IBGZPJMESA-N 491.762 5.132 50 10 JKGE Cc1ccc(C)c(Cn2nc(-c3ccccc3)c3c2OC(N)=C(C#N)[C@H]3c2cccc(F)c2)c1 1865710671 DWIWCBUXDSFDDC-XMMPIXPASA-N 450.517 5.573 50 10 JKGE CC(C)[C@@H]1c2[nH]cnc2CCN1c1cc(Nc2ccc(SC#N)cc2)nc(-c2ccc(F)cc2)n1 1868456103 KBJVKDSZGPLMAX-RUZDIDTESA-N 485.592 6.082 50 10 JKGE COc1cc(/C=C(\C#N)n2cnc3ccccc32)ccc1OCc1c(Cl)cccc1Cl 1872727313 ORDCSYKEZBKHAM-GZTJUZNOSA-N 450.325 6.452 50 10 JKGE N#C/C(=C(/O)Cc1ccc(Br)cc1)c1nc(-c2ccc(Cl)c(Cl)c2)cs1 1872748544 BTDRNPWOPGWAQJ-JXAWBTAJSA-N 466.187 6.915 50 10 JKGE CC(C)N1C(=O)c2ccc(/C(O)=C(\C#N)c3nc(-c4ccc(C(C)(C)C)cc4)cs3)cc2C1=O 1872750876 NYGRZZDPLFWEQX-LNVKXUELSA-N 471.582 6.062 50 10 JKGE CCCOc1c(Br)cc(/C=C(\C#N)c2nc(-c3ccc(C)cc3)cs2)cc1OC 1872790662 WXXOZJSTGYMLMM-VCHYOVAHSA-N 469.404 6.743 50 10 JKGE O=C(c1c(Br)sc(Br)c1Br)[C@@H]1C[C@H]1Br 1877336376 LRNBKOGXKUJXSY-PWNYCUMCSA-N 467.802 5.002 50 10 JKGE Cl[C@H](c1c(Br)sc(Br)c1Br)[C@@H]1[C@@H]2CCO[C@@H]21 1895482000 UNBMDMZYVWZPNX-JSKVFSMCSA-N 451.405 5.350 50 10 JKGE O=C1c2ccccc2C(=O)N1C[C@@H](Br)CCc1ccc(Cl)c(Br)c1 1905437733 JKMCSWGQKSZPOX-LBPRGKRZSA-N 471.576 5.095 50 10 JKGE C[C@H](Cl)CN(Cc1ccccc1)C(=O)c1ccc(I)c(Br)c1 1914613207 OGJDTBMZVNHICD-LBPRGKRZSA-N 492.582 5.323 50 10 JKGE Cc1cc(S(=O)(=O)N(Cc2ccccc2)[C@@H](C)CCBr)sc1Br 1915087940 CUTVCACKSYKGIV-ZDUSSCGKSA-N 481.275 5.183 50 10 JKGE CN(Cc1c(Br)cccc1Br)C[C@@H](Cl)COCc1ccccc1 1916343508 UXKCZUIADIBLTI-OAHLLOKOSA-N 461.625 5.468 50 10 JKGE CCC(F)(F)C(C)(C)[C@H](Br)c1sc(Br)cc1Br 1922886728 LPQPIQBXENHREN-SECBINFHSA-N 455.000 6.781 50 10 JKGE Clc1c(Br)sc(Br)c1[C@H](Br)[C@@H]1C[C@H]2CCCC[C@H]21 1923068110 NDCFTOOKZUSZTB-FDDDBJFASA-N 477.487 7.189 50 10 JKGE Clc1c(Br)sc(Br)c1[C@H](Br)[C@@H]1CC12CCCC2 1923075287 ZIXKIXJGIARYTI-POYBYMJQSA-N 463.460 6.943 50 10 JKGE CC[C@H](Br)CN(Cc1ccccc1)Cc1ccc(Cl)c(Br)c1F 1979518046 QGEWGJIFJHVNQO-HNNXBMFYSA-N 463.616 6.417 50 10 JKGE C[C@@H]1CC[C@@H](C[C@H](Cl)c2c(Br)sc(Br)c2Br)O1 1998141151 PLZKVJYGLMBGHD-VQVTYTSYSA-N 467.448 6.273 50 10 JKGE FC1(F)CC[C@@H]2[C@H]([C@H](Br)c3cc(Br)sc3Br)[C@H]21 2004116199 YGYJVOOGRFVCSQ-CYAXSCHPSA-N 450.968 6.000 50 10 JKGE CCCc1ccccc1[C@@H](Br)c1cc(Br)c(Br)s1 2027899607 OXRMGUKYBXIIQJ-CYBMUJFWSA-N 453.037 6.710 50 10 JKGE Clc1c(Br)ccc(CBr)c1N1C[C@@H]2CN(Cc3ccccc3)C[C@@H]2C1 2036844537 IIUBFRJONWPVFS-CALCHBBNSA-N 484.663 5.566 50 10 JKGE Cc1c(Br)sc([C@H](Br)[C@@H]2CC[C@H]3[C@H]2C3(F)F)c1Br 2040541409 KVXPCXVIFPYANX-UTSKPXGSSA-N 464.995 6.309 50 10 JKGE BrCc1ccc(N2[C@H]3CCC[C@H]2CN(Cc2ccccc2)C3)c(Br)c1 2061944941 RFFSZNXXALXRLI-OALUTQOASA-N 464.245 5.587 50 10 JKGE Brc1cc([C@H](Br)[C@@H]2C[C@@H]3CCCCCC[C@H]32)c(Br)s1 2109845654 JYIJYMGMRRBHRP-ICUOPCATSA-N 471.096 7.316 50 10 JKGE Fc1cc(Cl)c([C@@H](Br)c2cc(I)ccc2F)cc1F 2113356949 ACAVEBZONBUJJL-CYBMUJFWSA-N 461.446 5.846 50 10 JKGE CN(Cc1ccccc1)[C@@H]1CCCCN(c2cc(Br)cc(F)c2CBr)C1 2114266458 SFQGUGDIZXUSMV-GOSISDBHSA-N 484.251 5.974 50 10 JKGE Clc1ccc(I)c(C[C@]2(CBr)CCCCC23CC3)c1 2117008566 UNACXCBRJNURLD-INIZCTEOSA-N 453.589 6.223 50 10 JKGE C[C@H](N(Cc1ccccc1)S(=O)(=O)c1ccc(Cl)c(CBr)c1)C(C)(C)C 2123201158 SNGLCXJKZRLVSS-HNNXBMFYSA-N 458.849 5.860 50 10 JKGE Cc1cc(Br)c(CBr)c(N2C[C@](C)(F)[C@](C)(Br)C2)c1 2140741849 MQVPBZFKRWPUFG-KGLIPLIRSA-N 458.007 5.354 50 10 JKGE O=C(N[C@H](CBr)C1CCCCC1)c1cccc(Br)c1Br 2148756063 JMRCEIAVVWZLFT-CYBMUJFWSA-N 468.027 5.285 50 10 JKGE ClCc1nc2cc(Br)c(Cl)cc2n1Cc1cscc1Br 2159875493 UMGCSIRTGAZTJS-UHFFFAOYSA-N 455.002 6.063 50 10 JKGE CN(C(=O)c1cc(Br)cc(Br)c1)C1(CBr)CC(C)(C)C1 2164566244 AZRSQIQCIJDWTO-UHFFFAOYSA-N 468.027 5.237 50 10 JKGE Fc1cc(Br)cc(CBr)c1OCc1cccc(Br)c1Cl 2166825168 CAMOAYDCUXOGCP-UHFFFAOYSA-N 487.388 6.478 50 10 JKGE CC[C@@H](Br)[C@@H]1CCCCN1C(=O)c1cc(Cl)ccc1I 2170618639 ZXYFBGCQSOJDGG-OCCSQVGLSA-N 470.576 5.113 50 10 JKGE BrC[C@@]1(Cc2cc(Br)ccc2Br)CCCCC12CCC2 2175149626 KSNHZZIQOCGHQX-KRWDZBQOSA-N 465.067 6.880 50 10 JKGE COc1cc(Cl)c([C@@H](Br)c2ccc(Br)c(F)c2)cc1Br 2202351288 IGVNXJCWAULRJA-AWEZNQCLSA-N 487.388 6.497 50 10 JKGE COc1cc(Cl)c([C@H](Br)c2cc(C)ccc2Br)cc1Br 2202354343 XCELTADUQBQQOA-OAHLLOKOSA-N 483.425 6.666 50 10 JKGE Cc1c(Br)ccc([C@H](Br)c2cc(Cl)cc(F)c2F)c1Br 2203682426 DZCBVJUMHLHXAI-ZDUSSCGKSA-N 489.379 6.936 50 10 JKGE Cc1cc(Br)c([C@@H](Br)c2c(C)sc(Br)c2C)s1 2215944712 MLRPVDWKNBZFCE-JTQLQIEISA-N 459.066 6.744 50 10 JKGE FC(F)(F)C(F)(F)[C@@H](Br)c1c(Br)cc(Cl)c(Cl)c1Cl 2224302685 OAPNGNGFNHTYJS-ZETCQYMHSA-N 471.272 7.043 50 10 JKGE CCO[C@@H]1CC[C@H]([C@@H](Br)c2cc(Br)c(Br)cc2F)C1 2225617292 NVHHZKWQYAKWAO-ATEUNZGCSA-N 458.991 5.992 50 10 JKGE Fc1cc(Br)c(Br)cc1[C@@H](Br)C(F)(F)C1CCCCC1 2233976629 PRRPNBZFZJNVOY-CYBMUJFWSA-N 478.972 7.002 50 10 JKGE Cc1sc([C@@H](Br)c2cc3c(cc2Br)NC(=O)C3)cc1Br 2234476548 YQTBRRDZBMFWNJ-AWEZNQCLSA-N 480.019 5.560 50 10 JKGE CC1(C)CCC[C@@H]([C@@H](Br)c2cc(I)cc3c2OCC3)O1 2235155142 HCMKVESRKSWDKI-KBPBESRZSA-N 451.142 5.010 50 10 JKGE Cc1cc(Br)c([C@@H](Br)C2CC(C(F)(F)F)C2)c(C)c1Br 2235605471 KFGFDFDOEKDBID-RPTIHFLNSA-N 478.972 6.853 50 10 JKGE Br[C@@H](Cc1ccccc1I)c1ccc([C@H]2CCOC2)s1 2240431603 KNUONIZWIXKGQI-STQMWFEESA-N 463.178 5.535 50 10 JKGE COc1ccc([C@H](Br)c2cc(C)ccc2I)c(Cl)c1Cl 2241002650 WMJVKUNEJUNSNX-ZDUSSCGKSA-N 485.974 6.399 50 10 JKGE Clc1cc([C@@H](Br)c2cccc(Cl)c2Br)sc1Br 2248097737 GQMDWPLEWICQDD-JTQLQIEISA-N 479.846 7.064 50 10 JKGE CCO[C@@H]1CC[C@@H]([C@@H](Br)Cc2cc(Br)cc(Br)c2)C1 2277955604 KEEFNSVBHHPKQG-DFBGVHRSSA-N 455.028 5.723 50 10 JKGE Cc1ccc(Br)cc1[C@H](Cl)Cc1cc(Br)cc(Br)c1 2277963101 PNHOJZQRAPHOBM-OAHLLOKOSA-N 467.426 6.805 50 10 JKGE COc1c([C@@H](Br)c2ccoc2Br)cc(Br)c2c1CCC2 2284592146 BDFJLMARWDVICX-ZDUSSCGKSA-N 464.979 5.786 50 10 JKGE Fc1cc(Br)c(F)c(Br)c1[C@@H](Cl)c1cscc1C(F)F 2288481771 ZSPFZTMRACQJMX-JTQLQIEISA-N 452.492 6.817 50 10 JKGE COc1ccc(NC(=O)C(C#N)=Cc2ccc(OCc3ccc(Cl)c(Cl)c3)cc2)cc1 2295163756 FBSQFGOCSJAOBZ-UHFFFAOYSA-N 453.325 6.127 50 10 JKGE CCOC(=O)c1cc(C(C)C)sc1NC(=O)C(C#N)=Cc1cc(Cl)ccc1OCC(C)C 2295672311 MHKVAYSMONNNIU-UHFFFAOYSA-N 475.010 6.282 50 10 JKGE CC(C=Cc1ccccc1)=NNC(=O)CCCCCCC(=O)NN=C(C)C=Cc1ccccc1 2296653179 IBVRVFSLMRAXPQ-UHFFFAOYSA-N 458.606 5.738 50 10 JKGE CCOC(=O)c1c(NC(=O)C(C#N)=Cc2ccc(-c3ccccc3Cl)o2)sc2c1CCCC2 2296832341 ZPEVUOSOBLSEDV-UHFFFAOYSA-N 480.973 6.263 50 10 JKGE Cc1ccccc1NC(SCc1cccc(Cl)c1)=C(C#N)S(=O)(=O)c1ccccc1 2297350139 YVVHAKBRSMQWOA-UHFFFAOYSA-N 455.004 6.160 50 10 JKGE COC1([C@H](Br)c2ccc(OCc3ccccc3)cc2Br)CC(C)C1 2299525623 PKUAUNHSYARMIH-JFUAUVDRSA-N 454.202 6.279 50 10 JKGE CCOc1cc(C=C(C#N)c2ccc(C)cc2)cc(Br)c1OCc1ccccc1Cl 2313521612 ZLIDMJFLCFXOGE-UHFFFAOYSA-N 482.805 7.453 50 10 JKGE COc1cc(C=C(C#N)C(=O)Nc2cccc(Cl)c2Cl)ccc1OCc1cccc(F)c1 2313570853 HTHGNJRKIUKVSL-UHFFFAOYSA-N 471.315 6.266 50 10 JKGE CCOc1cc(C=C(C#N)C(=O)Nc2cc(Cl)ccc2Cl)ccc1OC(=O)c1ccccc1 2313631112 LAHFQTKPSKOXRO-UHFFFAOYSA-N 481.335 6.157 50 10 JKGE CCCCOc1ccc(-c2nn(-c3ccccc3)cc2C=C(C#N)C(=O)N2CCCCC2)cc1Cl 2314476609 RPRHZMIAGZQLPG-UHFFFAOYSA-N 489.019 6.291 50 10 JKGE CCC1CCC([C@@H](Br)c2cc(Br)ccc2OCc2ccccc2)CC1 2314487919 HUYQKDPSIIWTEG-CWZMJNCASA-N 466.257 7.681 50 10 JKGE Cc1ccc(Oc2nc3c(C)cccn3c(=O)c2C=C(C#N)C(=O)Nc2ccc(C)c(C)c2)cc1 2314532464 JEZSSHSRLPRJGA-UHFFFAOYSA-N 464.525 5.266 50 10 JKGE CC1=C(C#N)C(=O)N(Cc2ccccc2Cl)C(=O)C1=Cc1ccc(OCc2ccc(C)cc2)cc1 2314619809 FPPUUUDSFNFVEL-UHFFFAOYSA-N 482.967 6.020 50 10 JKGE COc1cc(C=NNC(=O)c2ccc3[nH]c4c(c3c2)CCCC4)ccc1OCc1ccc(C)cc1 2321672330 PJRGWMYJISLXHO-UHFFFAOYSA-N 467.569 5.707 50 10 JKGE COc1ccccc1OCC(=O)NN=Cc1ccc(OCc2ccc(Cl)cc2Cl)cc1 2321706244 CNMIIBXKTQHZAG-UHFFFAOYSA-N 459.329 5.110 50 10 JKGE O=C(NN=Cc1c(Cl)cccc1Cl)c1ccc(Nc2nc(O)c3ccccc3n2)cc1 2323766703 KGGGZAVDLSPPPU-UHFFFAOYSA-N 452.301 5.150 50 10 JKGE COc1ccc([C@@H](C)NC(=O)C(C#N)=CNc2ccc(Cl)c(C(F)(F)F)c2)cc1OC 2325045159 IXYODTNIRDNGGO-GFCCVEGCSA-N 453.848 5.073 50 10 JKGE N#CC(=C(O)CCCCCNC(=O)c1ccccc1)c1nc(-c2ccc(-c3ccccc3)cc2)cs1 2331231958 DLIHYXLFKHCRHI-UHFFFAOYSA-N 493.632 7.260 50 10 JKGE CSCC[C@H](C(O)=C(C#N)c1nc(-c2ccc(F)c(C)c2)cs1)N1C(=O)c2ccccc2C1=O 2331322514 GIQCZOLWXICZSR-OAQYLSRUSA-N 493.585 5.468 50 10 JKGE COc1cc(C=CC(O)=C(C#N)c2nc(-c3ccc(C(C)C)cc3)cs2)cc(OC)c1OC 2331340911 ZXDMDUFTRRIZNT-UHFFFAOYSA-N 462.571 6.465 50 10 JKGE CCc1cccc(C)c1N1C[C@@H](C(O)=C(C#N)c2nc(-c3c(C)cc(C)cc3C)cs2)CC1=O 2331393923 JDDARMZFAYMECL-NRFANRHFSA-N 471.626 6.452 50 10 JKGE Clc1c(Br)sc(Br)c1[C@@H](Br)[C@@H]1C[C@H]1C1CCCCC1 2332689310 YQUOUIUAKHTDGH-NGZCFLSTSA-N 491.514 7.579 50 10 JKGE CC1(C)CO[C@@H]([C@H](Br)c2c(Cl)cc(Br)c(F)c2Br)C1 2337083572 BCIDGCHVGNIDQA-SCZZXKLOSA-N 479.409 6.255 50 10 JKGE Cc1nc(Br)c([C@H](Br)Cc2ccc(Br)cc2Cl)n1C 2337326811 YDQJCXDKFRPXPQ-SNVBAGLBSA-N 471.418 5.586 50 10 JKGE COc1c(Br)cc(C)c([C@@H](Br)C(C)(C)CCF)c1Br 2339659714 VVQBFVPGVCIQHH-CYBMUJFWSA-N 461.007 6.350 50 10 JKGE FC1(F)CCC(CBr)(Cc2ccc(Cl)cc2I)CC1 2341045395 CQGWNIAEBGRDOB-UHFFFAOYSA-N 463.531 6.078 50 10 JKGE COc1c(Cl)cc(Br)cc1[C@H](Br)c1csc(C)c1Br 2343561083 DHZJTMUYHDDLHO-LBPRGKRZSA-N 489.454 6.728 50 10 JKGE CC(C)(CI)CN1CC[C@@H](CCNC(=O)OC(C)(C)C)C[C@H]1C(F)(F)F 2351614977 ZBLCOAAOCAKSNJ-KGLIPLIRSA-N 492.364 5.005 50 10 JKGE Cc1cccc(OCc2cc(I)ccc2Cl)c1CBr 2352351066 REYUFNWWBAUOPJ-UHFFFAOYSA-N 451.529 5.727 50 10 JKGE Cc1cc(Br)c([C@@H](Br)[C@H]2CC[C@@H]3C[C@H]2CO3)c(C)c1Br 2359124539 RYQRKHWWAJFUJX-BUWBCJGYSA-N 467.039 6.080 50 10 JKGE Fc1c(Br)cc(Cl)c([C@@H](Br)[C@@H]2COC3(CCC3)C2)c1Br 2362232436 OFXNIAXGUIYVHK-CPCISQLKSA-N 491.420 6.399 50 10 JKGE FC(F)(F)C12CC([C@H](Cl)c3cc(Br)ccc3OCc3ccccc3)(CO1)C2 2363911571 WPLNJEXGNCMNDQ-LMDPOFIKSA-N 461.705 6.420 50 10 JKGE CCc1ccc([C@H](Br)c2c(Br)c(Br)nn2C)cc1CC 2364228847 RQVOSJBRIYQFCX-LBPRGKRZSA-N 465.027 5.554 50 10 JKGE COc1cc([C@H](Cl)c2c(Br)cc(Cl)c(Cl)c2Cl)sc1Cl 2365835119 CCIIFACOMMIKBF-JTQLQIEISA-N 455.415 7.461 50 10 JKGE FC(F)C1(CCl)CCN(Cc2ccc(I)c(Br)c2)CC1 2377355028 ZCQQTCAJHSPNOJ-UHFFFAOYSA-N 478.546 5.140 50 10 JKGE Clc1ccccc1C[C@@H](CBr)Cc1cc(I)ccc1Cl 2380467459 XNZBKLQPQVPERT-LLVKDONJSA-N 484.002 6.394 50 10 JKGE Cc1cc(Br)c(C(C)C)cc1[C@@H](Br)c1scc(Cl)c1Cl 2380940071 RBQABNGAWJSMPJ-CYBMUJFWSA-N 457.058 7.734 50 10 JKGE COc1ccc(CCC(=O)Oc2ccc(/C=C(/C#N)c3ccc(Cl)cc3)cc2OC)cc1OC 31902170 FMICMWPISSTQOX-STZFKDTASA-N 477.944 5.968 50 10 JKGE CCOC(=O)/C(C#N)=C\c1cn(-c2ccccc2)nc1-c1ccc(OCc2ccc(Cl)cc2)cc1 33375094 ZNRLOSKXLYUUFB-JWGURIENSA-N 483.955 6.242 50 10 JKGE N#C/C(=C/c1cc(Cl)c(OCc2ccc(Cl)cc2)c(Cl)c1)c1nc2ccccc2s1 33529395 KGXIJBKQKVFMBW-SXGWCWSVSA-N 471.796 7.900 50 10 JKGE N#C/C(=C/c1ccc(-c2ccc([N+](=O)[O-])cc2Cl)o1)C(=O)Nc1ccc(Cl)cc1[N+](=O)[O-] 33930198 MRLBRHWLKRIQMY-XFFZJAGNSA-N 473.228 5.615 50 10 JKGE CCOc1cc(/C=C2/C(=O)N(Cc3ccc(OC)cc3)C(=O)C(C#N)=C2C)ccc1OCCC(C)C 38608581 NLIPBBHTHLGWLU-BUVRLJJBSA-N 488.584 5.311 50 10 JKGE Cc1ccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)COc4cc(C)c(Cl)c(C)c4)ccc32)cc1 38649251 VDBPXFJTKHCIGK-VWLOTQADSA-N 474.944 5.468 50 10 JKGE CCCOc1ccc(C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@H]3c2ccc(Cl)cc2Cl)cc1 38655379 XETCOSVEUXKEGM-DEOSSOPVSA-N 495.362 6.220 50 10 JKGE N#CC1=C(N)Oc2cc(OC(=O)c3ccc(Br)cc3)ccc2[C@H]1c1cccc2ccccc12 38657662 PNRRDZXKNVVFSX-RUZDIDTESA-N 497.348 6.040 50 10 JKGE COc1ccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)Cc4cccc5ccccc45)ccc32)cc1OC 38658552 SGYTVQBBLKXKDZ-LJAQVGFWSA-N 492.531 5.223 50 10 JKGE Cc1cc2oc(C(=O)Oc3ccc4c(c3)OC(N)=C(C#N)[C@H]4c3ccc(Cl)cc3)c(C)c2cc1C 38687776 JBMCINYPYVVQDP-VWLOTQADSA-N 484.939 6.449 50 10 JKGE Cc1cc(C)c2c(C)c(C(=O)Oc3ccc4c(c3)OC(N)=C(C#N)[C@@H]4c3cccc([N+](=O)[O-])c3)oc2c1 38688174 MPXKJZWBQDQDCK-RUZDIDTESA-N 495.491 5.704 50 10 JKGE Cc1ccc(NC(=O)/C(C#N)=C\c2c(Oc3ccc(Cl)cc3)nc3ccccn3c2=O)cc1C 39858597 PPZSFCDRFOBVAG-JXAWBTAJSA-N 470.916 5.303 50 10 JKGE Cc1ccc(Oc2nc3c(C)cccn3c(=O)c2/C=C(\C#N)C(=O)Nc2ccc(C)c(C)c2)cc1 39992847 JEZSSHSRLPRJGA-RCCKNPSSSA-N 464.525 5.266 50 10 JKGE COc1cc(/C=N/NC(=O)COc2ccc(C(C)C)c(C)c2)ccc1OCc1ccc(C)cc1 40911195 IHPGDSCFEQMMAB-MUFRIFMGSA-N 460.574 5.544 50 10 JKGE Cc1c(/C=N\NC(=O)CC[C@@H](O)c2ccccc2)c2ccccc2n1Cc1ccccc1Cl 58891125 VGOPVJYGCBMQMT-XAVTVXAQSA-N 459.977 5.615 50 10 JKGE COc1cc(/C=C(/C#N)C(=O)Nc2ccc(C)cc2)cc(Cl)c1OCc1ccc(C(=O)O)cc1 59335362 IZCWGMUKKMUGJA-JAIQZWGSSA-N 476.916 5.480 50 10 JKGE N#C/C(=C\c1ccc(-c2ccc(Br)c(Cl)c2)o1)C(=O)Nc1cccc(Cl)c1Cl 59336407 IPQNDJSHMAGNFL-XYOKQWHBSA-N 496.575 7.215 50 10 JKGE CCCCCN1C(=O)C(C#N)=C(C)/C(=C\c2cn(-c3ccccc3)nc2-c2ccc([N+](=O)[O-])cc2)C1=O 101333239 OUKINBKYBCFORO-LFVJCYFKSA-N 495.539 5.230 50 10 JKGE COc1cc([C@@H](Br)c2cc(Br)c(Br)s2)ccc1C 128213238 MWNHATOOGCUULM-GFCCVEGCSA-N 455.009 6.074 50 10 JKGE COc1ccc([C@@H](C)NC(=O)/C(C#N)=C\Nc2ccc(-c3nc4ccc(C)cc4s3)cc2)cc1 217181210 JTZKYPVHTDOSHN-TVJQZGFISA-N 468.582 5.977 50 10 JKGE N#C/C(=C/Nc1ccc(Cl)cc1C(F)(F)F)C(=O)Nc1ccc(Oc2ccccc2)cc1 217211911 NJOTWJTZZKDGGW-PFONDFGASA-N 457.839 6.609 50 10 JKGE Clc1cc(Br)ccc1[C@@H](Br)c1cc(Br)cc2c1OCC2 228445927 HPUXPRWVSOSCHA-CQSZACIVSA-N 481.409 6.284 50 10 JKGE CCOc1ccc([C@@H](Br)c2cccc(F)c2Br)cc1Br 228994955 VZTWFYLMKBVXCE-CQSZACIVSA-N 466.970 6.234 50 10 JKGE Fc1cc(Br)c(Cl)cc1[C@H](Cl)c1ccc(I)c(Cl)c1 232345499 RADFRTLFAYENLS-CYBMUJFWSA-N 494.356 6.828 50 10 JKGE CC[C@H]1CCCC[C@@H]1Oc1c(Br)cc(CBr)cc1Br 234039513 XCJYOTQNXIQJCC-FZMZJTMJSA-N 455.028 6.454 50 10 JKGE COc1cc(F)c(Br)cc1[C@@H](Br)Cc1ccc(Br)cc1 234858481 KFRDRPOBSWMOOK-LBPRGKRZSA-N 466.970 6.038 50 10 JKGE COc1ccc(C(C)=NNC(=O)c2cc(Br)ccc2OCc2ccccc2)cc1 252486993 QYXHTMBMQNQTEY-UHFFFAOYSA-N 453.336 5.191 50 10 JKGE ClCc1cc(Br)c(OCc2ncccc2Br)c(Br)c1 382279417 GNNLFJKZSCFJPN-UHFFFAOYSA-N 470.386 5.687 50 10 JKGE C[C@H](Cl)c1nc2ccc(F)c(F)c2n1CCCN(Cc1ccccc1)Cc1ccccc1 390466846 FYLOKNMJGQXVNY-IBGZPJMESA-N 453.964 6.707 50 10 JKGE Cc1cc(Oc2cccc(Br)c2CBr)c(C)c(C)c1Br 394750828 NNUXRMDRCPYPFA-UHFFFAOYSA-N 463.007 6.824 50 10 JKGE Fc1cc(Br)c([C@@H](Br)c2cc(Br)ccc2Cl)c(F)c1F 398724393 JYDFSQORUWQHLK-NSHDSACASA-N 493.342 6.767 50 10 JKGE Cc1cc(Br)cc([C@H](Br)c2c(Br)cc(F)c(F)c2F)c1 398741788 QYOITKXJDNRZCG-LBPRGKRZSA-N 472.924 6.422 50 10 JKGE CCO/C(O)=C(/C#N)[C@H](c1ccccc1)[C@@H](C(=O)Nc1ccc(Br)cc1)[n+]1ccccc1 585145735 RJVXZOZSUZGBPQ-KCJWVSHWSA-O 493.381 5.030 50 10 JKGE CC[C@H](CC(F)F)CC(CBr)(CBr)c1ccc(Br)cc1 687834163 MXHSCYPYLGCXIZ-LLVKDONJSA-N 477.025 6.548 50 10 JKGE COc1ccc2nc(CCCl)n(CC3(N(Cc4ccccc4)Cc4ccccc4)COC3)c2c1 705609861 KSMNNQGSWAOEKC-UHFFFAOYSA-N 476.020 5.298 50 10 JKGE Clc1ccccc1C[C@H](Br)c1scc(Br)c1Br 707793522 YMCIKUDRXNINCO-QMMMGPOBSA-N 459.428 6.605 50 10 JKGE Cl[C@H](c1cccc(I)c1)c1cc(Br)cc2c1OCCC2 711145427 HPEBHXFBXLVVAK-OAHLLOKOSA-N 463.540 5.707 50 10 JKGE C[C@@H](Cl)c1nc2cc(I)ccc2n1CC(C)(C)N(C)Cc1ccccc1 714228743 OOIDTQSULAHGJL-OAHLLOKOSA-N 481.809 5.851 50 10 JKGE CC1(C)[C@@H](OCc2ccccc2)C[C@@H]1n1c(CCl)nc2cc(F)c(Br)cc21 718081773 VBFBTQHWZXPHPF-OALUTQOASA-N 451.767 6.233 50 10 JKGE C[C@@H](COCc1ccccc1)CC(CBr)(CBr)c1cccc(F)c1 719442906 UYMUZAVWOYJXDG-MRXNPFEDSA-N 458.209 6.096 50 10 JKGE Cc1ccc([C@H](Br)c2cc(Cl)cc(Br)c2)c(C)c1Br 719536467 MVKQJURUAGZOEO-OAHLLOKOSA-N 467.426 6.966 50 10 JKGE Cc1cc(C)nc(COc2c(Br)cc(Br)cc2CBr)c1 723875118 XMJGZLNZBIESFN-UHFFFAOYSA-N 463.995 5.697 50 10 JKGE Cc1ccc(NC(=O)C(=O)NN=Cc2cc(C)n(-c3cc(Cl)ccc3Cl)c2C)cc1C 725394971 UXMPSXNRHMHANI-UHFFFAOYSA-N 457.361 5.107 50 10 JKGE N#C/C(=C/c1cn(Cc2ccc(Cl)c(Cl)c2)c2ccccc12)C(=O)Nc1ccccc1Cl 1083975345 JFWKVWDIAWWGBF-ATVHPVEESA-N 480.782 7.195 50 10 JKGE CCCCOc1ccc(C=NNC(=O)c2ccccc2NC(=O)c2cccc(Br)c2)cc1 1084195213 GDJODYFUXKJSDT-UHFFFAOYSA-N 494.389 5.644 50 10 JKGE COc1cccc(/C=C(/C#N)C(=O)Nc2ccccc2)c1OCc1ccc(Br)cc1 1084224445 UWGKHKMFASJCGS-RGEXLXHISA-N 463.331 5.582 50 10 JKGE CCN(CC)c1ccc(C=NNC(=O)CCCSc2nc3ccc([N+](=O)[O-])cc3s2)cc1 1084281886 RMRMRKBIDFPOIG-UHFFFAOYSA-N 471.608 5.073 50 10 JKGE Cc1c(C=NNC(=O)c2cc3ccccc3o2)c2ccccc2n1Cc1ccc(Br)cc1 1084396209 VZRUMDVWPYTRKO-UHFFFAOYSA-N 486.369 6.271 50 10 JKGE O=C(NN=Cc1ccc(Br)cc1)c1ccc([C@@H]2Nc3ccccc3[C@H]3C=CC[C@H]32)cc1 1084437031 KVDXIYHAWLBVSG-PFATUAPWSA-N 472.386 6.040 50 10 JKGE COc1cccc(C(=O)NN(C(=O)c2cc(Cl)cc(Cl)c2)C(C)(C)C)c1-c1ccccc1 1615949239 GXIJZUSXNAGHCL-UHFFFAOYSA-N 471.384 6.255 50 10 JKGE 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 1616183574 YLQIANWVVVMWMO-XHVSWFGASA-N 482.661 6.123 50 10 JKGE Cc1cc(C)cc(OC(=O)c2oc3c(c2C)C(=NNC(=O)Cc2coc4c(C)c(C)ccc24)CCC3)c1 1772751881 OXWWEZQGPOCXIS-UHFFFAOYSA-N 498.579 6.186 50 10 JKGE COc1ccc(-c2nn(Cc3cc(C)ccc3C)c3c2[C@H](c2ccc(O)cc2)C(C#N)=C(N)O3)cc1 1865684238 NZKZTEUDVIOXTJ-RUZDIDTESA-N 478.552 5.148 50 10 JKGE N#CC1=C(N)Oc2c(c(-c3ccccc3)nn2Cc2ccc(F)cc2)[C@H]1c1c(Cl)cccc1Cl 1865685145 DPHDYZPZFYZGTH-OAQYLSRUSA-N 491.353 6.262 50 10 JKGE CCc1nn(Cc2ccc(Cl)cc2)c2c1[C@H](c1ccc(Cl)c(Cl)c1)C(C#N)=C(N)O2 1865686237 SQDILGZNGBWNLD-LJQANCHMSA-N 459.764 5.672 50 10 JKGE CCCCCOc1ccc([C@H]2C(C#N)=C(N)Oc3c2c(CC)nn3-c2ccc(OC)cc2)cc1 1865694255 WFIYMOVXUISAFQ-DEOSSOPVSA-N 458.562 5.230 50 10 JKGE CCCc1nn(-c2ccc(Br)cc2)c2c1[C@H](c1c[nH]c3ccccc13)C(C#N)=C(N)O2 1865699478 VFOYCWOSOHAOBM-NRFANRHFSA-N 474.362 5.287 50 10 JKGE CCc1nn(Cc2ccc(Cl)c(Cl)c2)c2c1[C@H](c1ccccc1OC)C(C#N)=C(N)O2 1865710455 YKPUPMZQZRQHGY-HXUWFJFHSA-N 455.345 5.027 50 10 JKGE CC(C)[C@@H](CC(=O)N[C@@H](C(=O)Nc1ccc(SC#N)cc1)c1ccccc1)c1ccc(Cl)cc1 1866764249 UXKMKYJTILINER-AOYPEHQESA-N 492.044 6.539 50 10 JKGE Cc1ccc([C@@H](C(=O)N[C@H](Cc2ccc(O)cc2)C(=O)Nc2ccc(SC#N)cc2)C(C)C)cc1 1866952852 ZKLALEMDPPSYNA-FTJBHMTQSA-N 487.625 5.380 50 10 JKGE COc1ccc([C@H](C(=O)N[C@@H](C(=O)Nc2ccc(SC#N)cc2)c2ccccc2)C(C)C)cc1 1866981962 YTEZJYFKSWPJLS-JWQCQUIFSA-N 473.598 5.504 50 10 JKGE CCc1nc(Nc2ccc(SC#N)cc2)cc(N2CCC[C@H]2Cc2ccc(Br)cc2)n1 1868278147 UJCYJHZDSZEDOQ-FQEVSTJZSA-N 494.462 6.330 50 10 JKGE CC(C)(C)c1nc(Nc2ccc(SC#N)cc2)cc(N2CCC(Oc3cccc(Cl)c3)CC2)n1 1868342202 NSWBWJSPANXGOY-UHFFFAOYSA-N 494.064 6.792 50 10 JKGE N#C/C(=C(/O)c1ccc2c(c1)C(=O)N(CCc1ccccc1)C2=O)c1nc(-c2cccs2)cs1 1872751091 XLIUHLRYCRPCAB-ATJXCDBQSA-N 483.574 5.660 50 10 JKGE COc1ccc(-c2csc(/C(C#N)=C(\O)[C@@H]3CC(=O)N(Cc4ccccc4)C3)n2)c(C)c1C 1872753919 UUGBWHXIJMBOFG-FPOCJBQTSA-N 459.571 5.277 50 10 JKGE CCOc1ccc(-c2csc(/C(C#N)=C(\O)COc3cc(C)c(Cl)c(C)c3)n2)c(OCC)c1 1872755380 KXBOLYAJEVPQNK-XDOYNYLZSA-N 485.005 6.749 50 10 JKGE CCOc1ccccc1OC/C(O)=C(\C#N)c1nc(-c2cc(C)c(Cl)cc2OC)cs1 1872757087 PZAGYRJRQFZCDM-MNDPQUGUSA-N 456.951 6.051 50 10 JKGE CCCOc1ccc(-c2csc(/C(C#N)=C/c3c(OC)ccc4ccccc34)n2)cc1OCCC 1872790214 SDASGEKANYYBHS-CJLVFECKSA-N 484.621 7.614 50 10 JKGE N#C/C(=C\c1cc(Br)ccc1O)c1nc(-c2ccc(Cl)c(Cl)c2)cs1 1872790553 QCNJJPJVMBOREX-LFYBBSHMSA-N 452.160 6.649 50 10 JKGE COc1ccc(-c2csc(/C(C#N)=C/c3ccc(OCc4ccc(C)cc4)cc3)n2)cc1Cl 1872794815 XZKIDPBVDBDNMC-LPYMAVHISA-N 472.997 7.424 50 10 JKGE CCCCCc1ccc([C@@H](Br)c2scc(Br)c2Br)s1 1889065828 CLBFDMISFFEBRX-CYBMUJFWSA-N 487.120 7.552 50 10 JKGE Fc1cscc1[C@@H](Br)c1ccc(OCc2ccccc2)cc1Br 1899851468 HKQBYKXXJYFVQS-SFHVURJKSA-N 456.174 6.713 50 10 JKGE Clc1cc([C@H](Br)c2cc(Br)sn2)sc1Br 1909863511 IPIXNAGDKFBAGH-SSDOTTSWSA-N 452.418 5.867 50 10 JKGE Cl[C@@H](c1cc(I)sn1)c1sc(Br)cc1Br 1909890107 YTCPBBUSAJKTDI-ZETCQYMHSA-N 499.418 5.662 50 10 JKGE CCc1cc(Br)c([C@@H](Br)c2c(C)nsc2Br)s1 1912940834 AODXFAOZKNIULO-VIFPVBQESA-N 460.054 6.085 50 10 JKGE Clc1ccc(I)c(CN(CCCBr)Cc2ccccc2)c1 1914602059 BYDGWTZRAMSOAQ-UHFFFAOYSA-N 478.599 5.732 50 10 JKGE CN(Cc1c(F)ccc(Br)c1F)C[C@H](Br)COCc1ccccc1 1916366923 OQQWXOBAOCTFKC-AWEZNQCLSA-N 463.160 5.139 50 10 JKGE Cc1c(Br)sc([C@@H](Br)Cc2ccc(F)cc2)c1Br 1922946452 RDDASSDATYTQAJ-JTQLQIEISA-N 457.000 6.399 50 10 JKGE CS(=O)(=O)c1ccc([C@@H](Br)c2sc(Br)cc2Br)cc1 1922953313 BSHGZNUYPYXCCW-LLVKDONJSA-N 489.048 5.161 50 10 JKGE Cl[C@H](c1c(Br)sc(Br)c1Br)C1[C@@H]2[C@H]3CC[C@@H](C3)[C@@H]12 1924585435 LOZZVMWDLDIFRK-ROHOZZESSA-N 475.471 6.608 50 10 JKGE Fc1cc(F)cc([C@@H](Cl)c2c(Br)sc(Br)c2Br)c1 1924592296 XTENQQOEOIWZLI-SECBINFHSA-N 481.381 6.642 50 10 JKGE Cc1cc(Br)sc1[C@H](Cl)c1cc(Cl)ccc1I 1950207061 CBFVVTMBYCAGSM-LLVKDONJSA-N 461.977 6.405 50 10 JKGE Cc1cc(Br)c(F)c([C@@H](Br)c2cc(C)c(Br)s2)c1 2028925367 YFEPEMDYWXDYRX-LLVKDONJSA-N 457.000 6.513 50 10 JKGE COc1sc([C@@H](Br)c2ccc(Br)cc2C)cc1Br 2034629608 OSCZDHZRKZVVBH-LBPRGKRZSA-N 455.009 6.074 50 10 JKGE Cc1cc([C@@H](Br)c2cc(Cl)c(Br)cc2F)c(Br)s1 2039501736 AXEFWIDCQBDWBB-NSHDSACASA-N 477.418 6.858 50 10 JKGE Cc1cc(Br)c(CBr)c(N2CC3(CC(OCc4ccccc4)C3)C2)c1 2053215478 ZPRCTWLJEPRFKZ-UHFFFAOYSA-N 465.229 5.838 50 10 JKGE Cc1cc(S(=O)(=O)N(CCC(F)(F)F)Cc2ccccc2)sc1CBr 2059287042 SIQVDKJFIOPHNA-UHFFFAOYSA-N 456.349 5.095 50 10 JKGE Clc1c(Br)sc(Br)c1[C@@H](Br)C1CC2(C1)CC21CC1 2064002919 RQBREVINQSXHAC-XAUYTDGJSA-N 475.471 6.943 50 10 JKGE Cc1cc([C@@H](Br)c2cccc(Br)c2Br)cc(C)c1F 2092327468 BEIMBZYJMSOBCL-CYBMUJFWSA-N 450.971 6.452 50 10 JKGE Fc1cc(Br)ccc1CC[C@@H](Br)c1ccc(Br)cc1 2113490911 IZGBGLTYLLFZEA-CQSZACIVSA-N 450.971 6.420 50 10 JKGE Fc1cccc(OCc2cc(Br)ccc2Br)c1CBr 2118523359 XWDMXFGESSVRIO-UHFFFAOYSA-N 452.943 5.825 50 10 JKGE C[C@H]1OCC[C@H]1CC(CBr)(CBr)c1cccc(Br)c1 2121121463 BIVRLUCQMRZFNL-NEPJUHHUSA-N 455.028 5.292 50 10 JKGE Cc1cc(Br)c(C)c([C@H](Br)[C@H]2C[C@@H]2C(F)(F)F)c1Br 2136372658 VAXMWSRQAWEOOR-YVZVNANGSA-N 464.945 6.463 50 10 JKGE Cc1cc(Br)c(C)c([C@@H](Br)[C@@](C)(F)C(C)(C)F)c1Br 2136377336 OASSFRCJRZRCNK-TZMCWYRMSA-N 462.998 6.741 50 10 JKGE COc1ccc([C@@H](Br)c2ccc(I)cc2)c(Cl)c1Cl 2138640823 GOGQECLOXVNXPQ-LBPRGKRZSA-N 471.947 6.091 50 10 JKGE Cc1c(Br)ccc([C@H](Br)[C@@H]2CCCCC23CC3)c1Br 2138875747 IUYHJJLJUVBKJH-WFASDCNBSA-N 451.040 6.926 50 10 JKGE Cc1cc(F)c([C@H](Br)c2ccc(I)c(C)c2)cc1Cl 2142145408 TZTUAHCFAKNCBN-OAHLLOKOSA-N 453.520 6.185 50 10 JKGE Clc1cc(C[C@]2(CBr)CCO[C@H]2C2CC2)ccc1I 2142941599 WUVVZKNKKGXGMG-GJZGRUSLSA-N 455.561 5.067 50 10 JKGE CCn1cc(COc2c(Br)cc(CBr)cc2Br)c(C)n1 2143443068 RCJWKBXFQFVMGR-UHFFFAOYSA-N 466.999 5.210 50 10 JKGE Cc1cccc(C[C@@H](CBr)Cc2ccc(Br)cc2)c1Br 2144191228 YWESZOQRYONJLE-AWEZNQCLSA-N 461.035 6.316 50 10 JKGE C[C@H](Br)C[C@H]1CCCCCN1Cc1ccc(Br)cc1Br 2148686328 WLRXBGAJMYWMEO-SWLSCSKDSA-N 468.071 6.130 50 10 JKGE ClCc1nc2cncc(Cl)c2n1Cc1scc(Br)c1Br 2150564769 UOQINYAQTXPMOU-UHFFFAOYSA-N 455.990 5.458 50 10 JKGE O=C(c1csc(Br)c1Br)N1CCC2(CCC2)[C@H](CBr)C1 2151657837 WLLQXDLDPXEENA-SECBINFHSA-N 486.067 5.300 50 10 JKGE Cc1sc(Br)cc1[C@@H](Br)c1cc(Br)c2c(c1)C[C@@H](C)O2 2152048819 ZXRUAZLAYUDCMA-UOWDBTKRSA-N 481.047 6.389 50 10 JKGE Fc1cc(Br)cc(N2CC[C@]3(CCCN(Cc4ccccc4)C3)C2)c1CBr 2170693297 YJPFSSQRFZGWGY-QFIPXVFZSA-N 496.262 5.976 50 10 JKGE COc1cccc(OCc2cc(Br)ccc2Br)c1CBr 2175141356 FLBIHMCXFVMTPB-UHFFFAOYSA-N 464.979 5.694 50 10 JKGE COc1cc(CBr)ccc1S(=O)(=O)N(Cc1ccccc1)[C@@H](C)C(C)(C)C 2179859396 CXQXKYKGGYQFML-INIZCTEOSA-N 454.430 5.216 50 10 JKGE Cc1c(Br)sc([C@@H](Br)c2cccc(OCCF)c2)c1Br 2189517546 KOQVYSIXIYFECL-LBPRGKRZSA-N 487.026 6.414 50 10 JKGE Cc1ccc(F)c([C@@H](Br)c2c(C)c(Br)cc(C)c2Br)c1 2201074125 QEAATMSRPWIDKV-MRXNPFEDSA-N 464.998 6.760 50 10 JKGE Cc1ccc([C@H](Br)c2c(C)c(Br)cc(C)c2Br)cc1F 2201075927 WWYDFKRPDADCFF-INIZCTEOSA-N 464.998 6.760 50 10 JKGE Cc1cc(Cl)c([C@H](Br)c2cc(Cl)c(C)cc2Br)cc1Cl 2201363777 NHESIQWRNADDSB-OAHLLOKOSA-N 457.420 7.510 50 10 JKGE Cc1cc(Br)c([C@H](Br)C2(Br)CC2)c(C)c1Br 2211161033 DDDYFPZEQAOYCQ-NSHDSACASA-N 475.844 6.192 50 10 JKGE COC[C@H]1C[C@@H](c2sc(Br)c(Br)c2Br)[C@H](Cl)C1 2216414925 WNFDSRKPKIXIRT-RRKCRQDMSA-N 467.448 5.783 50 10 JKGE Fc1cc(Br)c(Br)cc1[C@H](Br)CC(F)(F)C(F)F 2218604305 USKIONBWBCVGKG-SSDOTTSWSA-N 460.860 6.077 50 10 JKGE Cc1ccc([C@H](Br)Cc2c(Cl)cccc2Cl)cc1I 2224631894 WTKOWMRFAOUVMI-GFCCVEGCSA-N 469.975 6.585 50 10 JKGE COCC1(C[C@H](Br)c2c(Br)cc(C)c(Br)c2C)CC1 2227351895 ARKOMBNODMJMBD-LBPRGKRZSA-N 455.028 6.081 50 10 JKGE COc1cc(Br)c([C@@H](Cl)c2scc(Br)c2Br)cc1C 2227724623 YQGKOJWHAHOPLC-GFCCVEGCSA-N 489.454 6.681 50 10 JKGE CCOc1cc(CBr)cc(Br)c1OCc1cscc1Br 2235384099 IMXYGSBXVQFPDI-UHFFFAOYSA-N 485.035 6.146 50 10 JKGE Cc1cccc([C@H](Br)c2c(F)cc(F)c(Br)c2F)c1Br 2236111602 QDRDLXGHJBYOTM-LBPRGKRZSA-N 472.924 6.422 50 10 JKGE Fc1cc(F)c([C@@H](Br)c2ccc(Cl)c(Br)c2)c(F)c1Br 2236112273 YNMOASFZLROUOP-NSHDSACASA-N 493.342 6.767 50 10 JKGE Brc1cc(Br)cc(C[C@@H](Br)c2occc2Br)c1 2252839835 UUIHARNYHZADLS-LLVKDONJSA-N 487.811 6.246 50 10 JKGE Brc1cc([C@@H](Br)c2cc3sc(Br)cc3s2)cs1 2252900193 IEPQMZPMJAWGBL-LLVKDONJSA-N 473.074 7.034 50 10 JKGE COc1ccc([C@H](Cl)c2ccccc2I)cc1I 2257370615 TVXSPEOKAFKFPF-AWEZNQCLSA-N 484.502 5.233 50 10 JKGE Fc1cc([C@@H](Cl)c2ccc(Br)cc2Br)c(Cl)cc1Br 2267749379 LZYDZXPCEZUSBA-ZDUSSCGKSA-N 491.807 7.095 50 10 JKGE Fc1cc(Cl)c([C@@H](Br)c2ccc(Cl)c(I)c2)cc1Cl 2268274046 NEXUTESLOAXDHI-ZDUSSCGKSA-N 494.356 6.875 50 10 JKGE C[C@@H](Br)CN(CCC(C)(C)C)C(=O)c1csc(I)c1 2272428125 HZCORHKBVHWFEP-SNVBAGLBSA-N 458.203 5.015 50 10 JKGE Fc1cc(Br)c(F)c(Br)c1[C@H](Br)[C@@H]1C[C@@H]1C1CCC1 2272734400 MIHLMARQHKFHQB-DNSOKLHBSA-N 458.966 6.362 50 10 JKGE C[C@H](Cl)c1nc2cc(I)c(F)cc2n1[C@H]1C[C@H](Br)C1 2277877063 OZNUAZFVKHREGL-FXQIFTODSA-N 457.512 5.178 50 10 JKGE COc1ccc([C@H](Br)c2ccc(C(F)(F)F)o2)cc1I 2284996825 KPNPJONKBOYSKO-LBPRGKRZSA-N 461.015 5.396 50 10 JKGE Fc1cc(Cl)c([C@H](Br)Cc2ccc(Cl)c(Cl)c2)cc1Br 2285840876 PXWWQUVNDHXUOS-SECBINFHSA-N 461.383 7.227 50 10 JKGE BrCc1cc(Br)c(OCCCc2ccncc2)c(Br)c1 2287712624 SHDVMZDDWVOASX-UHFFFAOYSA-N 463.995 5.513 50 10 JKGE Cc1cc(Br)c(C)c([C@H](Br)[C@@]23C[C@@H](CO2)C3(C)C)c1Br 2289304053 DYHWPRXMKKSRJU-JMPLFQLZSA-N 467.039 6.080 50 10 JKGE N#CC(=Cc1ccc(OCCCOc2ccccc2)c(Br)c1)C(=O)NCc1ccco1 2293993184 USYGLSIHMMQPOK-UHFFFAOYSA-N 481.346 5.113 50 10 JKGE N#CC(=CNc1ccc(Oc2ccccc2)cc1)c1nc(-c2cc3ccccc3oc2=O)cs1 2296800776 VGOAKSOOWITDIA-UHFFFAOYSA-N 463.518 6.685 50 10 JKGE COc1ccc(-n2c(SCC(=O)NN=CC(C)=Cc3ccccc3)nnc2-c2ccccc2)cc1 2297510205 HDVOFAWHOCZKSE-UHFFFAOYSA-N 483.597 5.241 50 10 JKGE COc1cscc1[C@H](Br)c1ccc(OCc2ccccc2)cc1Br 2299509168 MMRRCEDFTPJORS-LJQANCHMSA-N 468.210 6.583 50 10 JKGE COCCC1([C@@H](Br)c2ccc(OCc3ccccc3)cc2Br)CC1 2299531112 SQEFKLDGEAFOQC-IBGZPJMESA-N 454.202 6.281 50 10 JKGE CC(C)(C[C@@H](Br)c1sc(Cl)cc1I)C(F)(F)F 2300957180 LACILGADNYCVLO-RXMQYKEDSA-N 461.512 6.421 50 10 JKGE Cn1nc(Br)c(Br)c1[C@H](Cl)c1cc(Cl)c(Br)s1 2301118724 FWZDLESMXZPFEV-ZCFIWIBFSA-N 483.838 5.751 50 10 JKGE CC[C@@H]1[C@@H](Br)CC[C@H]1Cc1ccc(I)c(Br)c1 2306199055 IJQDKDYCDAVTRJ-SRVKXCTJSA-N 472.002 5.796 50 10 JKGE CCOc1cc(C=C(C#N)C(=O)Nc2ccc(Cl)c(Cl)c2)c(Br)cc1O 2313631365 OYDDAMFPDRDDKK-UHFFFAOYSA-N 456.123 5.406 50 10 JKGE N#CC(=Cc1cc(Cl)ccc1OCc1ccccc1)C(=O)Nc1ccc(Cl)c(Cl)c1 2313631543 RUVVQOPGEJMMKN-UHFFFAOYSA-N 457.744 6.771 50 10 JKGE N#CC(=Cc1ccccc1OCc1ccc(Cl)c(Cl)c1)C(=O)Nc1cccc([N+](=O)[O-])c1 2313738660 NHGBANMQMVTKIA-UHFFFAOYSA-N 468.296 6.026 50 10 JKGE C[C@@H](c1ccccc1)[C@@H](Br)c1cc(Br)ccc1OCc1ccccc1 2314444806 MYMYNNWDBNJOCL-KSFYIVLOSA-N 460.209 7.268 50 10 JKGE N#CC1=C(N)Oc2cc(OC(=O)C=Cc3ccccc3Cl)ccc2[C@@H]1c1c(Cl)cccc1Cl 2314634346 GFTQSBZAMVSHMM-QHCPKHFHSA-N 497.765 6.484 50 10 JKGE Fc1cc(Cl)c([C@@H](Br)c2cc(Br)sc2Br)c(Cl)c1 2318359126 OHSWIZAAOAHKRH-JTQLQIEISA-N 497.836 7.203 50 10 JKGE Cc1cc(Br)cc(CBr)c1OCc1nc(Br)cs1 2320005408 ZJMMKSOLMABGDB-UHFFFAOYSA-N 455.997 5.450 50 10 JKGE CN(CCC1(c2ccccc2)CCCCC1)C(=O)C(C#N)=Cc1ccc(Br)cc1 2324505420 DYNQCPNOTAVFHY-UHFFFAOYSA-N 451.408 6.107 50 10 JKGE COc1ccc(NC=C(C#N)C(=O)N2CCN(C(c3ccccc3)c3ccccc3)CC2)cc1Cl 2324598944 MCEMQNVQWDFBAW-UHFFFAOYSA-N 487.003 5.102 50 10 JKGE COc1ccc([C@@H](C)NC(=O)C(C#N)=CNc2ccc(-c3nc4ccc(C)cc4s3)cc2)cc1OC 2325051625 QBEAURKIEFTBBP-GOSISDBHSA-N 498.608 5.986 50 10 JKGE CCOC(=O)c1c(NC(=O)C(C#N)=Cc2ccc(C)cc2)sc(C(=O)OC2CCCCC2)c1C 2329632800 ZAKDCTMJLSMZGX-UHFFFAOYSA-N 480.586 5.577 50 10 JKGE CCOC(=O)c1c(-c2ccc(C)c(C)c2)csc1NC(=O)C(C#N)=Cc1cccc(Cl)c1 2329687354 YEFDPLBSTHFZRR-UHFFFAOYSA-N 464.974 6.408 50 10 JKGE CCOC(=O)c1ccc(N2C[C@H](C(O)=C(C#N)c3nc(-c4ccccc4Cl)cs3)CC2=O)cc1 2331266875 LFLRTDLTNADXGZ-MRXNPFEDSA-N 493.972 5.486 50 10 JKGE CC(C)[C@@H](C(O)=C(C#N)c1nc(-c2ccc(F)c(F)c2)cs1)N1C(=O)c2ccccc2C1=O 2331351641 LOGKNTNDQNSDNT-FQEVSTJZSA-N 465.481 5.202 50 10 JKGE N#CC(=C(O)CCN1C(=O)c2ccccc2C1=O)c1nc(-c2ccc(Oc3ccccc3)cc2)cs1 2331358886 YTVJMMBPLBTPFP-UHFFFAOYSA-N 493.544 6.081 50 10 JKGE COc1c(Cl)cc(Cl)cc1-c1csc(C(C#N)=C(O)C=Cc2ccc(Cl)cc2Cl)n1 2331362844 UYAQNFKUSQOWTP-UHFFFAOYSA-N 498.218 7.938 50 10 JKGE CCOc1ccc(C=CC(O)=C(C#N)c2nc(-c3cc(C)c(Cl)cc3OC)cs2)cc1 2331390448 MHQUCMTWCUORFI-UHFFFAOYSA-N 452.963 6.685 50 10 JKGE COc1cc(C=C(C#N)c2nc(-c3cc(C)ccc3C)cs2)cc(Br)c1OC(C)C 2331445732 HCQHPQVVSOZDDZ-UHFFFAOYSA-N 483.431 7.049 50 10 JKGE CCOc1cc(C=C(C#N)c2nc(-c3cccc4ccccc34)cs2)ccc1OCc1ccccc1 2331456451 OIYYYIWYXLBUEP-UHFFFAOYSA-N 488.612 8.005 50 10 JKGE COc1cc(C)c(-c2csc(C(C#N)=Cc3cc(OC)c(OC)c(OC)c3)n2)cc1C(C)C 2331463434 IAAPVGBTNVFOGS-UHFFFAOYSA-N 464.587 6.341 50 10 JKGE Brc1cc(OCc2ccccc2)ccc1[C@@H](Br)[C@H]1COc2ccccc21 2336084541 VCGSAYNOXJLWAF-SIKLNZKXSA-N 474.192 6.640 50 10 JKGE Fc1c(Br)cc(Cl)c([C@H](Br)[C@@]23CCCC[C@H]2C3)c1Br 2337082793 QFPKNEXCBMHXLC-HNWMMTHTSA-N 475.421 7.020 50 10 JKGE CC(C)C[C@@H]1C[C@H]1[C@H](Br)c1c(Cl)cc(Br)c(F)c1Br 2337094264 NIJGWRQXZVKFRO-RWYTXXIDSA-N 477.437 7.122 50 10 JKGE Clc1ccc(CN2CC[C@@H]3CC[C@@H](Br)[C@H]2C3)cc1I 2337218592 KGKFSPQSQMWORV-JVLSTEMRSA-N 454.577 5.083 50 10 JKGE Clc1cc(I)c([C@@H](Br)[C@H]2CCc3ccccc3C2)s1 2338773985 SUOGXASXQOWYLE-FZMZJTMJSA-N 467.597 6.247 50 10 JKGE Fc1cc(Br)c(F)c(Br)c1[C@@H](Br)[C@@H]1CC[C@H]1C(F)(F)F 2359749835 PUPDABWDAWBSBR-OJFKHTATSA-N 486.898 6.514 50 10 JKGE COc1cc(COc2ccc(CBr)cc2Br)c(Br)cn1 2362086404 GQEWTSYVWNGKJO-UHFFFAOYSA-N 465.967 5.089 50 10 JKGE CCCc1sc(Br)cc1[C@@H](Cl)c1cc(Cl)c(C)cc1Br 2363268143 LNUSITLUMPPDEY-HNNXBMFYSA-N 457.058 7.516 50 10 JKGE Cc1cc(Br)c(C)c([C@H](Br)C[C@@H]2CC[C@H]2C2CC2)c1Br 2367951931 WBBHSOGRYPMMIJ-KCQAQPDRSA-N 465.067 7.091 50 10 JKGE Cc1cc(Br)c(F)c(Br)c1[C@@H](Br)[C@@H]1CC[C@H]1C(C)(C)C 2369130116 DWFWOMROFIAYTJ-BREBYQMCSA-N 471.046 7.167 50 10 JKGE Clc1ccc(I)cc1CN1C[C@@H]2C[C@@H](CBr)C[C@@H](C2)C1 2380531368 ODVPRVSNJIKLSO-XYYAHUGASA-N 468.604 5.188 50 10 JKGE CN1/C(=C(/C#N)C(=O)CSc2nnc(-c3ccco3)n2-c2ccccc2)Sc2ccccc21 12524892 ADFMRESUHZJKAS-HAVVHWLPSA-N 471.567 5.166 50 10 JKGE CCCOc1ccc(/C=N/NC(=O)COc2ccc(OCc3ccccc3)cc2)c(OCCC)c1 20074604 VTYRIAKIXCQJDV-VUTHCHCSSA-N 476.573 5.372 50 10 JKGE CCCCOc1ccc(/C=C(\C#N)C(=O)Nc2sc(C(C)=O)c(C)c2C(=O)OCC)cc1 33346419 CZTRQYBVIPIJFS-QGOAFFKASA-N 454.548 5.160 50 10 JKGE Cn1c(-c2ccccc2)c(C(=O)/C(C#N)=C\c2ccc(O)c(Br)c2)c2ccccc21 33499607 BEVBQIXMAFZSFT-AQTBWJFISA-N 457.327 6.103 50 10 JKGE CN(C)c1ccc(N2C(=O)CS[C@@H]2c2cccc(NC(=O)[C@@H](Cl)c3ccccc3)c2)cc1 35928529 FKAYDFALVBAYLT-UKILVPOCSA-N 466.006 5.450 50 10 JKGE CCOc1ccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4ccccc4C)ccc32)cc1OCC 38678999 YCNYHBMFARALIZ-AREMUKBSSA-N 470.525 5.230 50 10 JKGE Cc1ccc2c(Cl)c(C(=O)Oc3ccc4c(c3)OC(N)=C(C#N)[C@@H]4c3cccs3)sc2c1 38688357 SFSCSEHJRYKRFS-HXUWFJFHSA-N 478.982 6.362 50 10 JKGE Cc1ccc2[nH]c(-c3ccc4ccccc4n3)c(CCCC(=O)NNC(=O)Cc3ccccc3)c2c1 39867319 GCNUYVXCYWMVHE-UHFFFAOYSA-N 476.580 5.404 50 10 JKGE Cc1c(Cl)cccc1NC(=O)/C(C#N)=C/c1cn(Cc2ccccc2Cl)c2ccccc12 59272146 BTGVDABCXVFZMI-CPNJWEJPSA-N 460.364 6.851 50 10 JKGE N#C/C(=C\Nc1ccc(Cl)cc1Cl)c1nc(-c2cccc(Br)c2)cs1 100394490 YPJDANVRWGUWPK-FMIVXFBMSA-N 451.176 6.856 50 10 JKGE N#C/C(=C(/O)c1ccc(-c2cccc([N+](=O)[O-])c2)o1)c1nc(-c2ccc3ccccc3c2)cs1 100989684 NXPCGWOEONHJSD-DAFNUICNSA-N 465.490 7.081 50 10 JKGE CC1=C(C#N)C(=O)N([C@@H](C)c2ccccc2)C(=O)/C1=C/c1ccc(-c2ccc(Cl)cc2Cl)o1 101337807 BJLLYEMZYDPKCL-REIAIGDLSA-N 477.347 6.607 50 10 JKGE CCc1ccc(-c2csc(/C(C#N)=C\Nc3cc4oc5ccccc5c4cc3OC)n2)cc1 102421515 GVCLOJGSQXHETE-CYVLTUHYSA-N 451.551 7.257 50 10 JKGE C[C@@H](Cl)c1nc2cc(I)ccc2n1-c1cc(Cl)ccc1Br 125850010 FSMNVDSOSMROEB-MRVPVSSYSA-N 495.973 6.346 50 10 JKGE CCCCC1CCC([C@H](Br)c2cc(Br)c(C)cc2Br)CC1 128777289 VQKHPNVNDQTJIH-JRSKDTKFSA-N 481.110 7.953 50 10 JKGE COc1cc(Cl)c([C@H](Cl)c2ccc(Br)cc2Br)cc1Cl 234902568 MNSUHNDSGONZLX-CQSZACIVSA-N 459.392 6.855 50 10 JKGE Cc1ccc(C[C@H](Br)c2cc(Br)ccc2I)cc1C 235920284 PIZIPAVZYQUZDL-HNNXBMFYSA-N 494.008 6.349 50 10 JKGE Cc1cccc([C@@H](Br)c2cc(Cl)ccc2Cl)c1I 235928051 ZHZDXQZBFLSKJB-CYBMUJFWSA-N 455.948 6.391 50 10 JKGE Clc1ccccc1C[C@@H](Br)c1cc(Br)cc(Br)c1 236043221 LLUUXYIIKXTSKG-CYBMUJFWSA-N 453.399 6.544 50 10 JKGE Clc1ccccc1C[C@@H](Br)c1ccc(Br)cc1Br 236043291 OIBYVVUTQCJCHT-GFCCVEGCSA-N 453.399 6.544 50 10 JKGE Fc1ccc([C@H](Br)Cc2ccc(Br)cc2)c(I)c1 236240292 UMLGUEUQHLQIEN-CYBMUJFWSA-N 483.944 5.872 50 10 JKGE CC1(C)OC[C@H]2OC=C[C@@](C)(O[Si](Cc3ccccc3)(Cc3ccccc3)C(C)(C)C)[C@]2(C)O1 248180356 YFCXESIIKMEQKK-MOZWKJSSSA-N 480.721 6.525 50 10 JKGE CCOc1ccc(C=NNC(=O)Cc2csc(Nc3cccc(C(F)(F)F)c3)n2)cc1OC 252621549 NBDGAIAYJFOQRS-UHFFFAOYSA-N 478.496 5.006 50 10 JKGE C[C@H](Cl)c1nc2cc(I)ccc2n1[C@H](C)CN(C)Cc1ccccc1 381211613 VAZRWNVDMKLTMA-CABCVRRESA-N 467.782 5.634 50 10 JKGE FC(F)(F)COCOc1c(Br)cc(Br)cc1CBr 386113180 LQWJVUUXBYFVEW-UHFFFAOYSA-N 456.878 5.022 50 10 JKGE C[C@@H](COCc1ccccc1)Cn1c(CCl)nc2cc(I)ccc21 390452013 XRSJMACTYCBUFB-CQSZACIVSA-N 454.739 5.233 50 10 JKGE Brc1ccccc1[C@H]1CN(Cc2ccccc2)C[C@H]1CI 394615539 KMHGLVCQIJAJSJ-WBVHZDCISA-N 456.165 5.100 50 10 JKGE CC(C)(C)OC(=O)NCCN1CCC[C@H](c2ccc(CO[Si](C)(C)C(C)(C)C)cc2)CC1 616629813 VCLQJMSMGQASSD-QFIPXVFZSA-N 462.751 6.303 50 10 JKGE CN(C(=O)OC(C)(C)C)c1ccccc1[C@@H]1CCCCCN1CCO[Si](C)(C)C(C)(C)C 616632295 POBWIMMSKVTZOI-QHCPKHFHSA-N 462.751 6.997 50 10 JKGE COc1cc(Cl)c([C@H](Br)c2cccc(F)c2I)cc1Cl 721699099 UJUAZCHOUHKELQ-CYBMUJFWSA-N 489.937 6.230 50 10 JKGE Cc1ccccc1-n1c(C)c(Br)c(C=NNC(=O)[C@H](C)SCc2ccccc2)c1C 725445967 PMSQNWVSOIXCSI-IBGZPJMESA-N 484.463 5.937 50 10 JKGE Cc1ccccc1C(=O)Nc1cccc(C(=O)NN=Cc2cc(Cl)cc(Br)c2O)c1 1081168715 RLTKQQBPEBIPKK-UHFFFAOYSA-N 486.753 5.133 50 10 JKGE N#C/C(=C\c1cccc(OCc2ccc(Cl)cc2Cl)c1)C(=O)Nc1ccc(Cl)cc1 1084122571 NMFLRSAKIDHDIK-LICLKQGHSA-N 457.744 6.771 50 10 JKGE Cc1ccc(-n2c(C)cc(C=NNC(=O)c3ccc(CSc4ccc(Cl)cc4)cc3)c2C)cc1 1084347897 XURYQTNBTWYAGY-UHFFFAOYSA-N 488.056 7.112 50 10 JKGE N#C/C(=C/c1cc(-c2ccccc2)n(-c2ccc(Cl)cc2)c1-c1ccccc1)c1ccccc1 1084478557 NFSUJIGBAZGBIH-OOAXWGSJSA-N 456.976 8.529 50 10 JKGE Cc1ccc(NC(=O)/C(C#N)=C\c2cc(Br)c(O)c(Br)c2)cc1C 1084529851 HYCMQCRHSWCDOP-MLPAPPSSSA-N 450.130 5.080 50 10 JKGE Cc1cccc(NC(=O)c2oc3c(c2C)C(=NNC(=O)C(c2ccccc2)c2ccccc2)CCC3)c1 1772749289 SUEIPNQOWVVTPU-UHFFFAOYSA-N 491.591 6.137 50 10 JKGE CCOC(=O)NN=C1CCCc2oc(C(=O)Nc3ccc4c(c3)c3ccccc3n4CC)c(C)c21 1772751098 HWAPMXZOVPENKG-UHFFFAOYSA-N 472.545 5.755 50 10 JKGE COc1ccc(-c2nn(-c3ccc(C)cc3)c3c2[C@H](c2ccc(C(C)C)cc2)C(C#N)=C(N)O3)cc1 1865686523 XFGDCOFLKMUMHG-AREMUKBSSA-N 476.580 6.198 50 10 JKGE Cc1ccsc1[C@@H]1C(C#N)=C(N)Oc2c1c(C(F)(F)F)nn2Cc1c(F)cccc1Cl 1865699491 VLOKGIYJBXPOSH-CQSZACIVSA-N 468.863 5.331 50 10 JKGE CCc1nn(-c2ccc(Cl)c(Cl)c2)c2c1[C@H](c1ccc(N(CC)CC)cc1)C(C#N)=C(N)O2 1865701942 JAPCKFMNLODBSN-JOCHJYFZSA-N 482.415 5.806 50 10 JKGE Cc1ccc(-n2nc(C(F)(F)F)c3c2OC(N)=C(C#N)[C@H]3c2ccc(C(F)(F)F)cc2)cc1 1865711131 QGQRSRCJXUXYRY-MRXNPFEDSA-N 464.369 5.437 50 10 JKGE Cc1nc(Nc2ccc(SC#N)cc2)cc(N2CCc3ccccc3[C@H]2c2cccc(F)c2)n1 1868480556 OVUMEDFNNPHARO-HHHXNRCGSA-N 467.573 6.393 50 10 JKGE COc1ccc(-c2csc(/C(C#N)=C(\O)[C@@H]3CC(=O)N([C@@H](C)c4ccccc4)C3)n2)cc1C 1872746610 PTYWFEIYAORJSR-KADXPQQSSA-N 459.571 5.530 50 10 JKGE Cc1ccc(-c2csc(/C(C#N)=C(\O)Cc3ccc(OCc4ccccc4)cc3)n2)cc1C 1872756257 GNPRRAAZTYGRCE-RFBIWTDZSA-N 452.579 7.041 50 10 JKGE COc1ccc(-c2csc(/C(C#N)=C(\O)CNC(=O)c3ccc(Cl)cc3)n2)c2ccccc12 1872758877 VBXGEHVUCHYDNK-XDOYNYLZSA-N 475.957 5.848 50 10 JKGE CCCCOc1ccc(/C=C(\C#N)c2nc(-c3ccc(OCC)cc3OCC)cs2)cc1OCC 1872793806 UGCSMGAULKKMRG-RCCKNPSSSA-N 492.641 7.249 50 10 JKGE CCOc1cc(/C=C(\C#N)c2nc(-c3ccc(C)c(C)c3)cs2)cc(Br)c1O 1872793848 XDXXDDMIFFWRKE-CAOOACKPSA-N 455.377 6.358 50 10 JKGE CC(C)(C)OC(=O)N[C@H](CBr)[C@@H]1CN(Cc2ccccc2)C2(CCCCC2)C1 1885095290 AGHOFGVRERUDDF-VQTJNVASSA-N 451.449 5.500 50 10 JKGE O=C1c2ccccc2C(=O)N1C[C@H](Br)CCc1cccc(Cl)c1Br 1905437097 FVERHFFTAMNOLS-GFCCVEGCSA-N 471.576 5.095 50 10 JKGE Cc1sc(Br)cc1[C@@H](Br)c1cc(I)sn1 1909889595 SFIYXMMYXHHAJY-SECBINFHSA-N 479.000 5.364 50 10 JKGE Clc1c(Br)sc(Br)c1[C@H](Br)[C@@H]1C[C@H]1C1CCC1 1910542189 PWUNKHLNAXPOTQ-LKEWCRSYSA-N 463.460 6.799 50 10 JKGE C[C@H](Cl)CN(Cc1ccccc1)c1ncc(C(F)(F)F)cc1I 1914625827 LLJWPQMOKVWLND-NSHDSACASA-N 454.661 5.339 50 10 JKGE CC(C)[C@@H](CBr)N(Cc1ccccc1)c1ccc(C(F)(F)F)cc1Br 1915322306 LJCHJNVMRDOXER-GOSISDBHSA-N 479.178 6.894 50 10 JKGE Cc1c(Br)sc([C@H](Br)C2(CC(F)(F)F)CCC2)c1Br 1922931885 GVYBHANORTXJFP-VIFPVBQESA-N 485.001 7.140 50 10 JKGE CCOC1CC(C[C@H](Br)c2c(Br)sc(Br)c2Cl)C1 1923038411 JBANECXUZWANEZ-RRQHEKLDSA-N 481.475 6.568 50 10 JKGE Fc1ccc(C[C@H](Br)c2c(Cl)sc(Br)c2Cl)cc1F 1925588767 HNVDEQQBQZTIHQ-LURJTMIESA-N 450.957 6.774 50 10 JKGE Cl[C@H](c1cc(Br)ccc1Br)c1cscc1OCc1ccccc1 1939523539 GUGOXUHYAFHGFT-GOSISDBHSA-N 472.629 7.180 50 10 JKGE Clc1ccsc1[C@@H](Br)c1ccc(Br)cc1I 1995286358 RVKDGAALDLYRHY-JTQLQIEISA-N 492.401 6.253 50 10 JKGE C[C@H]1CC[C@H]([C@@H](Cl)c2c(Br)sc(Br)c2Br)CC1 2003103238 IDSQAKGVKOORCK-BRDIYROLSA-N 465.476 7.142 50 10 JKGE C[C@]1([C@H](Br)c2c(Br)sc(Br)c2Cl)CCCOC1 2015965869 UVMVNIJWNJGNEJ-KCJUWKMLSA-N 467.448 6.179 50 10 JKGE Brc1scc([C@H](Br)c2ccc(CC3CC3)s2)c1Br 2032953390 IMCVBWIKKKTEOA-NSHDSACASA-N 471.077 6.771 50 10 JKGE COc1sc([C@@H](Br)c2c(C)cccc2Br)cc1Br 2034628251 DBXFYRPMYAHSQD-GFCCVEGCSA-N 455.009 6.074 50 10 JKGE COc1cc(Cl)c([C@@H](Br)c2cscc2OCc2ccccc2)cc1Cl 2038687031 WQYYDVASSDFWLN-LJQANCHMSA-N 458.204 7.127 50 10 JKGE COc1cc(C=C(C#N)c2nc(-c3ccc(Oc4ccccc4)cc3)cs2)cc(OC)c1OC 2053612216 BHZIRDBITFSHGU-UHFFFAOYSA-N 470.550 6.692 50 10 JKGE C[C@H](CCCCCI)NC(=O)c1ccccc1OCc1ccccc1 2054155012 NRVSALMFMXNGAH-QGZVFWFLSA-N 451.348 5.379 50 10 JKGE Cc1c(Br)cc(-c2nc3cc(NC(=O)CCCCl)ccc3o2)cc1Br 2060380727 OKTVJFACQQXXSY-UHFFFAOYSA-N 486.591 6.286 50 10 JKGE C[C@H](NCCSSCCNC(=O)OC(C)(C)C)c1ccc(Br)cc1F 2061264204 NABVFTVLEXMBPT-LBPRGKRZSA-N 453.443 5.145 50 10 JKGE F[C@@H](SS[C@H](F)C(F)(F)C(F)(F)C(F)(F)F)C(F)(F)C(F)(F)C(F)(F)F 2069406939 OMMVVQOARIQSJQ-LWMBPPNESA-N 466.206 6.625 50 10 JKGE Cc1cc(Br)c(C)c([C@@H](Cl)c2ccc(Br)o2)c1Br 2081059463 IQLZOEMRVDMUDJ-ZDUSSCGKSA-N 457.387 6.512 50 10 JKGE CCc1ccc([C@H](Br)c2ccc(Br)c(C)c2Br)s1 2083337198 HQWHHUXOJJPQFE-CQSZACIVSA-N 453.037 6.628 50 10 JKGE O=C(c1csc(Br)c1Br)N(CCBr)c1ccccc1 2093941718 ATBKKQHVSGXKGJ-UHFFFAOYSA-N 468.008 5.315 50 10 JKGE CC(C)(C)C[C@H](CBr)CNC(=O)c1scc(Br)c1Br 2100100836 AXKQPBJBBCQHOG-MRVPVSSYSA-N 476.072 5.450 50 10 JKGE BrC[C@]12CCC[C@H]1CN(Cc1cccc(Br)c1Br)C2 2103172349 MLWOOJWISPPUDY-WFASDCNBSA-N 452.028 5.209 50 10 JKGE C[C@H]1CN(Cc2cccc(Br)c2Br)CC[C@@H]1CCBr 2115844001 PJIHQUWGXAGOPF-RYUDHWBXSA-N 454.044 5.455 50 10 JKGE CC(C)(C)OC(=O)NCCSSCCN[C@@H]1CN(Cc2ccccc2)C2(CCCCCC2)C1 2125294857 YAMGGNDOLRREEN-QHCPKHFHSA-N 493.783 5.850 50 10 JKGE COc1c(Cl)cc(Br)cc1[C@@H](Br)c1cccc(Br)c1 2138244932 YYJQRLZJZSMRDC-ZDUSSCGKSA-N 469.398 6.358 50 10 JKGE CN(Cc1ccc(I)c(Cl)c1)[C@H]1CCCCC[C@H]1Br 2142942210 BHVMPYGJCPEVSV-DOMZBBRYSA-N 456.593 5.473 50 10 JKGE CC(C)(CBr)[C@@H]1CCCN1Cc1ccc(I)c(Cl)c1 2142951176 XWGDZCXYCAZEOR-AWEZNQCLSA-N 456.593 5.330 50 10 JKGE FC(F)(F)[C@]1(CBr)CCN(Cc2ccc(Br)cc2Br)C1 2167675627 NNABSVWZQGIYPI-LBPRGKRZSA-N 479.960 5.361 50 10 JKGE Cc1cc(Br)c(CBr)c(Oc2cc(F)c(Br)c(F)c2)c1 2173450414 LTJUCJRJQOITHX-UHFFFAOYSA-N 470.933 6.485 50 10 JKGE CCn1ncc(Br)c1[C@@H](Cl)c1c(C)c(Br)cc(C)c1Br 2201080887 AYFAJMCNTFIJEU-ZDUSSCGKSA-N 485.445 6.136 50 10 JKGE Fc1cc(Br)c([C@@H](Cl)c2cc(Cl)ccc2Br)c(F)c1Cl 2201611340 PDYORDRHFKYDAW-NSHDSACASA-N 465.346 7.125 50 10 JKGE Cc1c(Br)ccc([C@H](Br)C2(CC(C)C)CCCC2)c1Br 2203688334 UQCVYGDCXWOJMO-INIZCTEOSA-N 467.083 7.563 50 10 JKGE COc1ccc(C)c([C@@H](Br)c2ccc(Br)c(C)c2Br)c1 2203705710 OYNQTBKTCIAIAQ-INIZCTEOSA-N 463.007 6.321 50 10 JKGE CCc1cc(Br)c([C@H](Br)c2scc(Br)c2C)s1 2213775607 ULAAEXIEMFALEF-SNVBAGLBSA-N 459.066 6.690 50 10 JKGE CC1(C)CC[C@H](c2sc(Br)c(Br)c2Br)C[C@H]1Cl 2216398755 YEPYTLXYLIOWDT-NKWVEPMBSA-N 465.476 6.937 50 10 JKGE CC[C@@H]1C[C@H](Cl)C[C@H](c2sc(Br)c(Br)c2Br)C1 2216422717 WZXAAJAUXZCGTH-RNJXMRFFSA-N 465.476 6.937 50 10 JKGE Fc1cc(Br)c(Br)cc1[C@H](Br)CC1CC(F)(F)C1 2218596503 FTDCAHMLXODRFM-MRVPVSSYSA-N 450.918 6.222 50 10 JKGE ClCc1nc2cc(Br)c(Br)cc2n1[C@H]1C[C@@H](Br)C1 2218661317 HCMQGEVCODUFFK-KNVOCYPGSA-N 457.391 5.399 50 10 JKGE ClCc1nc2cc(Br)c(Br)cc2n1C[C@@H]1C[C@H]1Br 2218665146 WWUAMYWJZKCCBJ-NKWVEPMBSA-N 457.391 5.084 50 10 JKGE Cc1cc(Br)c([C@H](Cl)c2cc(Br)c(C)cc2Br)s1 2221836580 NJFZSEIRYPYUOE-GFCCVEGCSA-N 473.455 6.981 50 10 JKGE Cn1ncc([C@H](Br)Cc2cc(Cl)cc(Cl)c2)c1I 2224003974 NHYDERPWXSMHMS-LLVKDONJSA-N 459.940 5.010 50 10 JKGE Cc1nn(C)c([C@@H](Br)c2ccc(Br)cc2Br)c1Cl 2224021096 LWASVIGOJIHQPZ-JTQLQIEISA-N 457.391 5.391 50 10 JKGE Cc1cc(Br)c([C@H](Br)c2ccc(OCc3ccccc3)cc2)c(C)c1Cl 2224321099 KUZVGODVUUJBEB-OAQYLSRUSA-N 494.654 7.783 50 10 JKGE Cc1cc(Br)c(F)c([C@H](Br)c2c(C)sc(Br)c2C)c1 2225866806 SPQQTKSFRLXPRL-LBPRGKRZSA-N 471.027 6.822 50 10 JKGE Cc1ccc(I)c([C@H](Br)c2cc(Cl)c(C)cc2Cl)c1 2232223443 PJHMTJGPBNAMRI-OAHLLOKOSA-N 469.975 6.699 50 10 JKGE CC1(C)OCCO[C@H]1[C@H](Br)c1c(Br)cc(Cl)c(Cl)c1Cl 2232513339 XBRCWOICAWEHRD-SKDRFNHKSA-N 467.412 6.039 50 10 JKGE FC(F)C1CC(C[C@@H](Br)c2c(Br)cc(Cl)c(Cl)c2Cl)C1 2232527087 MADOOJIPQXNVQN-KPGICGJXSA-N 471.394 7.527 50 10 JKGE Cc1ccc([C@@H](Cl)c2c(Br)cc(F)c(Cl)c2F)cc1I 2232837274 QWOUYHYXUFVRSV-GFCCVEGCSA-N 491.928 6.622 50 10 JKGE Fc1cc(Br)c(Br)cc1[C@@H](Br)[C@H]1C(F)(F)C12CCCC2 2233981852 NWQQLSFAANELAV-VXGBXAGGSA-N 476.956 6.612 50 10 JKGE Cc1ccccc1C[C@@H](Br)c1c(Br)cc(C)c(Br)c1C 2235597004 AMTNZWQDMJZKLM-OAHLLOKOSA-N 461.035 6.816 50 10 JKGE CC[C@H]1CC[C@H]([C@H](Br)c2c(Br)cc(C)c(Br)c2C)CC1 2235598948 JSTZSIQZZGEFRI-DCGLDWPTSA-N 467.083 7.481 50 10 JKGE CO[C@@H]1CCC[C@H]([C@@H](Br)c2c(Br)cc(C)c(Br)c2C)C1 2235608880 MBKSIDLSGODSIM-HWWQOWPSSA-N 469.055 6.470 50 10 JKGE COc1cc(Br)ccc1[C@@H](Br)c1sc(C)c(C)c1Br 2264469769 XPDPFESZBOIIPD-CYBMUJFWSA-N 469.036 6.383 50 10 JKGE COc1cc(Cl)c(Cl)cc1[C@H](Br)c1scc(Br)c1Cl 2264607114 IRSRPEIBTGQROF-JTQLQIEISA-N 465.421 6.964 50 10 JKGE Fc1cc(C[C@H](Br)c2c(F)cccc2I)ccc1Cl 2277786663 CRQGAKHVIVFFHW-VIFPVBQESA-N 457.483 5.902 50 10 JKGE COc1ccc([C@H](Cl)c2cc(Br)ccc2Cl)c(Br)c1Cl 2283556317 XOOXPBGCQBDKCH-ZDUSSCGKSA-N 459.392 6.855 50 10 JKGE CC(C)(C)c1ccc([C@@H](Br)Cc2cc(Br)cc(Br)c2)s1 2295264563 HCEOOZGJDMNFLU-ZDUSSCGKSA-N 481.091 7.249 50 10 JKGE COc1cc(C=C(C#N)C(=O)Nc2ccc(C)c(C)c2)ccc1OC(=O)c1ccc(Cl)cc1Cl 2295672301 LNFCRPRLWQUBNV-UHFFFAOYSA-N 495.362 6.384 50 10 JKGE N#CC(=Cc1ccc(OCC(=O)Nc2ccccc2F)c(Cl)c1)c1ccc(Br)cc1 2297373028 OGAZXFRNTXKYQE-UHFFFAOYSA-N 485.740 6.323 50 10 JKGE N#CC(=Cc1ccc(OCc2ccc(Br)cc2)cc1)C(=O)Nc1cccc(C(=O)O)c1 2297399987 JIMLOXBHGGUDPE-UHFFFAOYSA-N 477.314 5.272 50 10 JKGE N#CC(=Cc1cn(Cc2ccc(Cl)cc2)c2ccccc12)C(=O)Nc1nc2ccccc2s1 2297500372 OOMUCGYSIRXSAW-UHFFFAOYSA-N 468.969 6.498 50 10 JKGE COc1cc(C=C(C#N)C(=O)Nc2nc3ccccc3s2)ccc1OCc1ccccc1Cl 2297500405 VPTUGXOMMQPZPD-UHFFFAOYSA-N 475.957 6.083 50 10 JKGE C[C@]1([C@@H](Br)c2ccc(OCc3ccccc3)cc2Br)CCCCO1 2299495628 RFNXVKTZGMAFQA-VQTJNVASSA-N 454.202 6.423 50 10 JKGE CC1(C)CC[C@H]([C@@H](Br)c2cc(Br)ccc2OCc2ccccc2)C1 2299503225 DCKWUNQKBMQICI-OXJNMPFZSA-N 452.230 7.290 50 10 JKGE CCC1(C)CC([C@@H](Br)c2ccc(OCc3ccccc3)cc2Br)C1 2299525301 MJHCOGIKJPKKPH-ZWVUXNTGSA-N 452.230 7.290 50 10 JKGE Brc1cc(OCc2ccccc2)ccc1[C@@H](Br)CC1CCOCC1 2299530411 LPTUJAKYGBIOCV-IBGZPJMESA-N 454.202 6.281 50 10 JKGE C=CCOc1c(I)cc(C=C(C#N)C(=O)Nc2ccccc2Cl)cc1OC 2313518991 LGCWNFXDAAFKNR-UHFFFAOYSA-N 494.716 5.064 50 10 JKGE CCN(CC)c1ccc(-n2c(C)cc(C=C(C#N)C(=O)Nc3cccc(Cl)c3Cl)c2C)cc1 2313571272 RDOUDEOEWKTDIV-UHFFFAOYSA-N 481.427 6.793 50 10 JKGE COC(=O)c1cccc(Cn2cc(C=C(C#N)C(=O)Nc3cccc(C)c3C)c3ccccc32)c1 2313667576 QNUVTZMSEBYJKN-UHFFFAOYSA-N 463.537 5.639 50 10 JKGE CCOc1ccc(NC(=O)C(C#N)=Cc2ccc(OCc3cccc(C)c3)c(OCC)c2)cc1 2313670706 QNULCARUUXMOOE-UHFFFAOYSA-N 456.542 5.917 50 10 JKGE COCC1([C@H](Br)c2cc(Br)ccc2OCc2ccccc2)CCCC1 2314456285 VXTJWZPVADYREL-HXUWFJFHSA-N 468.229 6.671 50 10 JKGE Cc1c(Cl)sc(Cl)c1[C@@H](Cl)c1ccc(I)c(Br)c1 2314517713 KZXHBQQGADNXJK-JTQLQIEISA-N 496.422 7.059 50 10 JKGE CCOc1ccc(N2C(=O)[C@H](Cc3ccc(C)cc3)SC2=C(C#N)C(=O)Nc2ccc(C)cc2)cc1 2314591724 CIWBLTIYEIRNNZ-SANMLTNESA-N 497.620 5.767 50 10 JKGE CCc1ccc(N2C(=O)[C@H](Cc3ccccc3C)SC2=C(C#N)C(=O)NCc2ccccc2)cc1 2314592716 AFUHNIVIFNSDOB-SANMLTNESA-N 481.621 5.300 50 10 JKGE CCCCCCOc1ccc(C=C(C#N)C(=O)Nc2cc(OC)c(Cl)cc2OC)cc1OC 2314728638 IGVYMDURPVYAEE-UHFFFAOYSA-N 472.969 5.871 50 10 JKGE Fc1c(Br)cc(Cl)c([C@H](Br)[C@@H]2[C@@H]3CCO[C@H]32)c1Br 2315454376 WJXZWEOLTZBCPK-PKKPQWAOSA-N 463.366 5.475 50 10 JKGE FC(F)(F)c1csc([C@H](Br)c2cnsc2Br)c1Br 2315638565 MTLUXCDJSXWVQZ-RXMQYKEDSA-N 485.970 6.233 50 10 JKGE COc1cc(C)ccc1[C@@H](Br)c1sc(Cl)cc1I 2316769658 BSRKRMAXFDPPDE-GFCCVEGCSA-N 457.558 5.807 50 10 JKGE FC(F)(F)c1cc([C@@H](Br)c2sc(Cl)cc2I)cs1 2316776099 ZKMSZICHJHUUDB-MRVPVSSYSA-N 487.531 6.571 50 10 JKGE N#CC(=CNCc1cccc(Br)c1)C(=O)Nc1ccccc1Sc1ccccc1 2318462875 ROQLXTBIBXPKKV-UHFFFAOYSA-N 464.388 5.736 50 10 JKGE COc1ccccc1-c1ccc(C(=O)NNC(=O)C=Cc2ccc(OCc3ccccc3)cc2)c(C)n1 2321184007 YAEZVRCMLPECFW-UHFFFAOYSA-N 493.563 5.119 50 10 JKGE Cc1cc(OCc2ccc(CCl)cc2)cc2c1C(=O)C(=Cc1ccc(-c3ccccc3)cc1)O2 2325342701 JZNYRBLBBOTRGR-UHFFFAOYSA-N 466.964 7.596 50 10 JKGE CCOC(=O)c1c(-c2ccc3c(c2)CCCC3)csc1NC(=O)C(C#N)=Cc1ccc(F)cc1 2329639337 BRXRSNDGZFDCHZ-UHFFFAOYSA-N 474.557 6.155 50 10 JKGE FC1(F)CCC[C@@H]2[C@@H]([C@H](Br)c3c(Br)sc(Br)c3Cl)[C@@H]21 2330159896 FSMRDGZWWJCEQU-APOSLCTFSA-N 499.440 7.044 50 10 JKGE COc1ccc(C)cc1-c1csc(C(C#N)=C(O)[C@H]2CC(=O)N([C@H](C)c3ccccc3)C2)n1 2331323640 NEPBSPWVVLHFBJ-MJGOQNOKSA-N 459.571 5.530 50 10 JKGE N#CC(=C(O)c1c(Cl)ccc(Cl)c1Cl)c1nc(-c2cccc3ccccc23)cs1 2331339492 KRPIOXFGRWUMBZ-UHFFFAOYSA-N 457.769 7.873 50 10 JKGE COc1ccc(C(C)(C)C)cc1-c1csc(C(C#N)=C(O)c2ccc(N(C)C)c([N+](=O)[O-])c2)n1 2331350922 DNQLGYYPEBCTQP-UHFFFAOYSA-N 478.574 6.040 50 10 JKGE COc1c(C)cc(Cl)cc1-c1csc(C(C#N)=C(O)C=Cc2cccc([N+](=O)[O-])c2)n1 2331391771 DBQSAWHKSXBEGO-UHFFFAOYSA-N 453.907 6.195 50 10 JKGE COC(=O)c1ccc(C=CC(O)=C(C#N)c2nc(-c3ccc(OC)c(Cl)c3)cs2)cc1 2331398371 MZKUQYFCQQCNRI-UHFFFAOYSA-N 452.919 5.765 50 10 JKGE Brc1ccc(OCc2ccccc2)c([C@H](Br)c2csc3c2CCCC3)c1 2336050736 MNCZVSNWVDZLQM-QFIPXVFZSA-N 492.276 7.453 50 10 JKGE Brc1ccc(OCc2ccccc2)c([C@H](Br)c2ccccc2C2CC2)c1 2336055847 DFRCGPCYGDEGTI-HSZRJFAPSA-N 472.220 7.390 50 10 JKGE CC1CC2(C1)CC(CBr)(Cc1ccc(Cl)c(I)c1)C2 2337227308 JGWORKLQAYLWAH-UHFFFAOYSA-N 453.589 6.079 50 10 JKGE CC1(C)CC[C@@H](COc2c(Br)cc(Br)cc2CBr)C1 2341664502 GPXCLYFAYKYCRT-SNVBAGLBSA-N 455.028 6.312 50 10 JKGE CC1(C)CC12CC(CBr)(Cc1ccc(I)c(Br)c1)C2 2349841950 VPHZSZSACACRLR-UHFFFAOYSA-N 498.040 6.188 50 10 JKGE CC(C)(C)c1ccc([C@H](Br)c2cc(Br)ccc2OCc2ccccc2)cc1 2361210146 QZWXYTCSOPFMNZ-QHCPKHFHSA-N 488.263 7.810 50 10 JKGE C[C@]12C[C@H](C1)[C@H]([C@H](Br)c1c(Br)cc(Cl)c(Cl)c1Cl)CO2 2362914953 GCUXBBSXSCQENO-GVSFJQIHSA-N 463.424 6.660 50 10 JKGE CCCc1sc(Br)cc1[C@@H](Br)c1cc(F)c(Br)cc1F 2363256750 SLISXYNBNIPKOE-AWEZNQCLSA-N 489.017 6.988 50 10 JKGE CC[C@H](CC(C)C)[C@H](Br)c1c(C)cc(Br)c(OC)c1Br 2365189835 YXMGPMSPDPIBTL-RISCZKNCSA-N 471.071 7.037 50 10 JKGE Cc1ccc(-n2c(S[C@H](C)C(=O)C(C#N)=C3Nc4ccccc4N3)nc3ccccc3c2=O)cc1F 24713102 HLNMWEOXZKKRJS-MRXNPFEDSA-N 497.555 5.156 50 10 JKGE O=C(NNc1ccc([N+](=O)[O-])cc1)c1ccc(-n2nc(-c3ccccc3)cc2-c2ccccc2)cc1 33514601 ATGVSGWTNDJCCT-UHFFFAOYSA-N 475.508 5.871 50 10 JKGE CC(C)c1nc(N2CCN(C(=O)[C@@H](Cl)c3ccccc3)CC2)c2c3c(sc2n1)C[C@H](C)CC3 35865854 YYSHESIIZQTMRF-VGSWGCGISA-N 483.081 5.568 50 10 JKGE CCc1ccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)COc4c(C)cccc4C)ccc32)cc1 38677177 XEHGKRMNVKGGKW-SANMLTNESA-N 454.526 5.068 50 10 JKGE CCCCCOc1ccc(C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@H]3c2cccc(F)c2)cc1 38678073 XWGDBWGKOCQKEO-SANMLTNESA-N 472.516 5.832 50 10 JKGE CCc1ccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4oc5ccc(C)cc5c4C)ccc32)cc1 38700465 KMNQUVNZRPUCBZ-AREMUKBSSA-N 464.521 6.049 50 10 JKGE Cc1ccc(C(=O)NNC(=O)CCCc2c(-c3ccc4ccccc4n3)[nH]c3ccccc23)cc1 39867142 WBGWPMMUIGSKBK-UHFFFAOYSA-N 462.553 5.475 50 10 JKGE COc1ccc(C(=O)NNC(=O)CCCc2c(-c3ccc4ccccc4n3)[nH]c3ccccc23)cc1 39867152 ZOYNZDWGPOGKKE-UHFFFAOYSA-N 478.552 5.176 50 10 JKGE Cc1ccc(Sc2ncnc(NNC(=O)C(c3ccccc3)c3ccccc3)c2[N+](=O)[O-])cc1 40650324 HSBBHNVPKPXQEC-UHFFFAOYSA-N 471.542 5.120 50 10 JKGE COc1ccc(C(=O)N/N=C2\CCCc3oc(C(=O)N4c5ccc(F)cc5CC[C@H]4C)c(C)c32)cc1 40813810 XOCUGXGBPSCGRR-FLLVFQQYSA-N 489.547 5.188 50 10 JKGE COc1cc(/C=N/NC(=O)COc2cc(C)cc(C)c2)ccc1OCc1ccc(Cl)cc1 40846883 QTSAEOCJELAJFE-MZJWZYIUSA-N 452.938 5.074 50 10 JKGE CCc1sc(NC(=O)/C(C#N)=C/c2ccc(Cl)cc2)nc1-c1ccc(Br)cc1 41013079 QUIMFQFWOHHADV-RVDMUPIBSA-N 472.795 6.334 50 10 JKGE COc1cc(/C=N\NC(=O)CC[C@H](O)c2ccccc2)cc(Cl)c1OCc1ccc(F)cc1 58889853 WQBQOEWBAZYZQB-WHXCVRPHSA-N 470.928 5.031 50 10 JKGE COc1cccc(/C=C(/C#N)C(=O)Nc2ccc(Cl)cc2)c1OCc1ccccc1Cl 59116874 KZCQEVRMLQPKIR-AQTBWJFISA-N 453.325 6.127 50 10 JKGE O=C(N/N=C(/CSc1nc2ccccc2o1)c1ccc(Br)cc1)c1ccccc1 59460618 CQHJTXPYMNTGND-PLRJNAJWSA-N 466.360 5.517 50 10 JKGE CCCCCCCCCCCCCCCCCCN(C)C(=O)N[C@@H]1CS(=O)(=O)C[C@H]1Cl 59568721 XEPFFFRGABTBGA-DHIUTWEWSA-N 479.171 6.294 50 10 JKGE CNC(=O)/C(C#N)=C1\S[C@H](Cc2cccc(C(F)(F)F)c2)C(=O)N1c1ccc(C(C)C)cc1 101240556 OJWSQEOZJFJDSV-LBMWUGKUSA-N 473.520 5.001 50 10 JKGE CCCCCCOc1ccc(/C=C(/C#N)C(=O)Nc2ncc(Cc3ccc(C)c(Cl)c3)s2)cc1 102958398 ZCLPNEHTCDGVMW-HMAPJEAMSA-N 494.060 7.201 50 10 JKGE CCCCOc1ccc(/C=C(\C#N)C(=O)Oc2ccc(/C=C(/C#N)C(=O)NCc3ccco3)cc2)cc1 103740654 WBSBXHWXRHQLMQ-JVBWRSBESA-N 495.535 5.194 50 10 JKGE CCCOc1ccc(/C=C(/C#N)C(=O)Nc2sc(-c3ccccc3)cc2C(=O)OCC)cc1 108861725 XREPXYLCGOACLE-HKWRFOASSA-N 460.555 5.926 50 10 JKGE Fc1cc(Br)cc(C[C@@H](CBr)Cc2cccc(Br)c2)c1 125105952 JGDQHBPTJXPQDY-ZDUSSCGKSA-N 464.998 6.147 50 10 JKGE Brc1ccccc1[C@@H](Br)c1cc(Br)c(Br)s1 128255220 AKCMJZILWANXRV-SNVBAGLBSA-N 489.852 6.520 50 10 JKGE Cc1cc([C@@H](Br)c2cccc(F)c2Br)c(C)cc1Br 156119710 AJBNTHRGWISZMX-AWEZNQCLSA-N 450.971 6.452 50 10 JKGE CCOc1cccc(-c2nn(-c3ccccc3)cc2/C=C(/C#N)C(=O)NCCc2ccccc2)c1 210033808 QCFXFNXQUBGPPN-MOHJPFBDSA-N 462.553 5.204 50 10 JKGE CCOc1ccc(Br)cc1[C@@H](Cl)c1cc(Cl)ccc1I 233780188 GUMQHCCUKCSXHJ-HNNXBMFYSA-N 485.974 6.434 50 10 JKGE COc1ccc([C@H](Cl)c2cc(Br)cc(Br)c2)cc1Br 234990705 WDZXXSQHELDNOY-AWEZNQCLSA-N 469.398 6.311 50 10 JKGE C=CCn1c(CNc2ccc(Cl)cc2)nnc1S[C@H](C)C(=O)NN=C(C)c1ccc(C)cc1 253562745 DQJJWAKKIQNSKH-GOSISDBHSA-N 483.041 5.059 50 10 JKGE CCOC(=O)NN=Cc1cn(CCOc2ccc(C(C)(C)c3ccccc3)cc2)c2ccccc12 254349573 WUVMJTGVSVYYPJ-UHFFFAOYSA-N 469.585 6.126 50 10 JKGE COc1cc(C=NNC(=O)CNc2cccc(C(F)(F)F)c2)ccc1OCc1ccc(Cl)cc1 263625801 OUMIBCYQABYDGP-UHFFFAOYSA-N 491.897 5.509 50 10 JKGE Brc1ccc(C[C@H](Br)c2sccc2I)cc1 309213901 HPYPKHXQXCEKII-JTQLQIEISA-N 471.983 5.794 50 10 JKGE Cc1ccc([C@@H](Br)c2cc(I)cc3c2OCC3)cc1Cl 380326027 VMIJBBSBFCYKLB-OAHLLOKOSA-N 463.540 5.672 50 10 JKGE Cc1c(I)cccc1-n1c(CCl)nc2cc(Br)ccc21 380416534 ITPUZYXUFFIXIT-UHFFFAOYSA-N 461.528 5.440 50 10 JKGE C[C@H](Cl)c1nc2cc(F)c(Br)cc2n1[C@@H]1CN(Cc2ccccc2)C[C@H]1C 389872098 QIZCYVLXFVRIMX-LAPQFRIASA-N 450.783 5.931 50 10 JKGE C[C@@H](Cl)c1nc2cc(I)ccc2n1C[C@@H]1CCCN1Cc1ccccc1 390584692 QITCVGSHTFICNX-QAPCUYQASA-N 479.793 5.605 50 10 JKGE Fc1cc(F)c(F)c([C@@H](Br)c2csc(I)c2)c1F 395807667 JZXLKLFFROXGKW-VIFPVBQESA-N 451.020 5.393 50 10 JKGE Clc1cc(Cl)cc([C@@H](Br)c2cc(Cl)c(Cl)c(Cl)c2Cl)c1 404647204 HMCMVKNKGHWAKJ-SNVBAGLBSA-N 453.805 8.091 50 10 JKGE CC(C)(C)OC(=O)NCCN1CCCOC[C@H]1c1cccc(CO[Si](C)(C)C(C)(C)C)c1 616649117 QKAVRMPMHWCCPV-QFIPXVFZSA-N 464.723 5.497 50 10 JKGE C[C@@H]1CCC[C@](CBr)(NC(=O)c2scc(Br)c2Br)C1 705418167 JXMIZYDSKJGYNY-OQPBUACISA-N 474.056 5.347 50 10 JKGE COc1cc(C=NNC(=O)CSc2ccc(Cl)cc2)ccc1OCc1ccc(F)cc1 1084267682 AHVXNGRBHMNMNV-UHFFFAOYSA-N 458.942 5.309 50 10 JKGE Cc1cc(NCC(=O)NN=Cc2c3ccccc3cc3ccccc23)ccc1I 1084301081 SMIJRSKNUHHXLS-UHFFFAOYSA-N 493.348 5.468 50 10 JKGE Cc1ccc(NC(=O)/C(C#N)=C/c2cc(Cl)c(OCc3ccc(F)cc3)c(Br)c2)cc1 1084369131 SDTWRTRSUCYKIZ-VCHYOVAHSA-N 499.767 6.675 50 10 JKGE Cc1c(C(=O)Nc2ccc(Cl)c(Cl)c2)oc2c1C(=NNC(=O)c1cccnc1)CCC2 1772745678 HKLQXGKTJWTHQB-UHFFFAOYSA-N 457.317 5.013 50 10 JKGE CC(C)(C)c1ccc([C@H]2C(C#N)=C(N)Oc3c2c(C(F)(F)F)nn3Cc2ccccc2F)cc1 1865682162 HQHISZNETVOEHD-IBGZPJMESA-N 470.470 5.605 50 10 JKGE CCCCCOc1ccc([C@@H]2C(C#N)=C(N)Oc3c2c(CC)nn3-c2ccc(C)cc2)cc1OCC 1865691652 XMOUEJWIEJUICN-AREMUKBSSA-N 486.616 5.929 50 10 JKGE CCCOc1ccc([C@@H]2C(C#N)=C(N)Oc3c2c(-c2ccccc2)nn3Cc2ccccc2F)cc1 1865694052 OSPRGTMHSMRUIQ-RUZDIDTESA-N 480.543 5.744 50 10 JKGE COc1cc([C@@H]2C(C#N)=C(N)Oc3c2c(-c2ccccc2)nn3CC(C)C)ccc1OC(C)C 1865697308 PYCPXZJLHBHXOI-HSZRJFAPSA-N 458.562 5.220 50 10 JKGE CCc1nn(Cc2cccc(Cl)c2)c2c1[C@@H](c1ccc(N(CC)CC)cc1)C(C#N)=C(N)O2 1865701689 BWLFRKGAUCNBGR-QHCPKHFHSA-N 461.997 5.212 50 10 JKGE Cc1nn(Cc2ccccc2Cl)c2c1[C@H](c1cccc(OCc3ccccc3)c1)C(C#N)=C(N)O2 1865711784 HXUWZOJZUSCAEQ-AREMUKBSSA-N 482.971 5.690 50 10 JKGE Cc1nc(C(C)C)c(C(=O)N[C@@H](C(=O)Nc2ccc(SC#N)cc2)c2ccccc2)s1 1867155466 QJYWIHBTZRANGN-HXUWFJFHSA-N 450.589 5.258 50 10 JKGE CCc1nc(Nc2ccc(SC#N)cc2)cc(N2CC(=O)N3CC(C)(C)c4ccccc4[C@@H]3C2)n1 1868277888 LOZNAQZSXPJVJW-QFIPXVFZSA-N 484.629 5.037 50 10 JKGE COc1cc2nc(/C(C#N)=C/c3ccccc3OCc3ccc(C)cc3)nc(O)c2cc1OC 1872727723 VVWXWOCMZLXTBS-UDWIEESQSA-N 453.498 5.304 50 10 JKGE N#C/C(=C(/O)c1ccccc1C(=O)c1ccccc1)c1nc(-c2cccc(Br)c2)cs1 1872746264 ZVZKPDFEZYYSMK-FLFQWRMESA-N 487.378 6.753 50 10 JKGE CC(=O)Nc1ccc(C/C(O)=C(\C#N)c2nc(-c3ccc(Br)cc3)cs2)cc1 1872746713 UPMKORIVJHBPLH-ZZEZOPTASA-N 454.349 5.566 50 10 JKGE Cc1ccc(C)c(-c2csc(/C(C#N)=C(O)/C=C/c3ccc(OCc4ccccc4)cc3)n2)c1 1872749715 FBZPXHZNUBFWPT-UHQDKHGDSA-N 464.590 7.512 50 10 JKGE COC(=O)c1ccc(/C=C/C(O)=C(\C#N)c2nc(-c3cc(C(C)(C)C)ccc3OC)cs2)cc1 1872751386 FRXDUJHHYHISNA-GVMZUKKWSA-N 474.582 6.409 50 10 JKGE COc1c(C)cc(C)cc1-c1csc(/C(C#N)=C(\O)c2ccc(N3CCOCC3)c([N+](=O)[O-])c2)n1 1872754723 GCVNBQLWFAAWHI-NMWGTECJSA-N 492.557 5.130 50 10 JKGE CCOc1ccc(/C=C/C(O)=C(\C#N)c2nc(-c3cc(OC)c(Cl)cc3OC)cs2)cc1 1872754826 KTXXMJDLPFTEOS-BMGGISQYSA-N 468.962 6.385 50 10 JKGE Cc1cc(C)c(-c2csc(/C(C#N)=C(\O)CCCOc3cc(C)c(Cl)c(C)c3)n2)c(C)c1 1872757107 QRFWVSIBOYPPNH-LNVKXUELSA-N 467.034 7.657 50 10 JKGE COc1cc(/C=C(\C#N)c2nc(-c3ccccc3Cl)cs2)ccc1OCc1ccc(C)cc1 1872780718 IRVMRMWMXCMSSN-FYJGNVAPSA-N 472.997 7.424 50 10 JKGE CCCOc1ccc(/C=C(\C#N)c2nc(-c3ccc(Cl)cc3Cl)cs2)cc1OCC 1872781601 LITBBKNFERKNIZ-MHWRWJLKSA-N 459.398 7.369 50 10 JKGE N#C/C(=C\c1c(OCc2ccccc2)ccc2ccccc12)c1nc(-c2ccc3c(c2)CCCC3)cs1 1872782526 KPVGCATZRYWAFV-TURZUDJPSA-N 498.651 8.485 50 10 JKGE ClC[C@@H](C1CC1)N(Cc1ccccc1)Cc1c(Br)cccc1Br 1915171156 WPNYBDVFGJXFKO-IBGZPJMESA-N 457.637 6.231 50 10 JKGE Cc1sc(Br)cc1[C@@H](Cl)c1sc(Br)cc1Br 1922895121 RLXCNCZDEOTILA-SECBINFHSA-N 465.457 6.734 50 10 JKGE COc1ccc([C@H](Br)c2sc(Br)c(C)c2Br)c(F)c1 1922899681 DQZQSWVBHSBQAN-NSHDSACASA-N 472.999 6.214 50 10 JKGE Cl[C@H](c1ccccc1I)c1sc(Br)cc1Br 1922931952 HNQVEEOKSKOZMV-SNVBAGLBSA-N 492.401 6.206 50 10 JKGE Cc1c(Br)cccc1[C@H](Cl)c1sc(Br)cc1Br 1922938778 FSRVDFXVSOHIEE-NSHDSACASA-N 459.428 6.672 50 10 JKGE Cc1cc([C@@H](Br)c2sc(Br)c(C)c2Br)sc1C 1922940680 LUZAHWSZEKRQJK-SNVBAGLBSA-N 459.066 6.744 50 10 JKGE O=S1(=O)CCC[C@H]([C@H](Br)c2c(Cl)sc(Br)c2Cl)C1 1925547916 XBGXTTPCZXMFIO-FSPLSTOPSA-N 457.036 5.078 50 10 JKGE Cl[C@H](c1cc(Br)c(Br)s1)c1sncc1Br 1928068374 KLLKRIMRKMYRFU-ZCFIWIBFSA-N 452.418 5.820 50 10 JKGE Fc1cccc(C[C@@H](Br)c2csc(Br)c2Br)c1F 2032953053 BPTGFJWRNOILDJ-MRVPVSSYSA-N 460.963 6.230 50 10 JKGE CC1(C)C[C@@H](Br)CCN1C(=O)c1scc(Br)c1Br 2050645648 FRZPOOZTYGFJAG-ZETCQYMHSA-N 460.029 5.051 50 10 JKGE CC(C)Cc1cc(CBr)n(Cc2ccc(C(F)(F)F)c(Br)c2)n1 2070044971 BYKHQWTVQLNCTA-UHFFFAOYSA-N 454.128 5.806 50 10 JKGE COc1csc([C@@H](Br)c2ccc(Br)c(C)c2Br)c1 2083338416 MWUWOTGROXJLOD-ZDUSSCGKSA-N 455.009 6.074 50 10 JKGE CC[C@]12CO[C@]([C@@H](Br)c3sc(Br)c(C)c3Br)(C1)C2 2084489611 DWMMCFLIQJJWNX-WCFLWFBJSA-N 459.041 5.977 50 10 JKGE Fc1cccc([C@H](Br)c2cc3sccc3s2)c1I 2084765163 QYCGKLJQSZYILK-LBPRGKRZSA-N 453.139 6.191 50 10 JKGE ClCc1ccc(Br)cc1OCc1c(Br)cccc1Br 2094093286 PABVWJXJKOTONH-UHFFFAOYSA-N 469.398 6.292 50 10 JKGE Cn1ncc(COc2c(Br)cc(CCl)cc2Br)c1Br 2116621137 OKUHHHBDSNZDBU-UHFFFAOYSA-N 473.390 5.025 50 10 JKGE Cc1cc(Br)c(CBr)c(Oc2cc(Br)ccc2Cl)c1 2116824319 MHZXAXAQNNJYRM-UHFFFAOYSA-N 469.398 6.861 50 10 JKGE Brc1ccc(Br)c(CN2CC[C@H](Br)CC23CCC3)c1 2118519165 GZULHRPEXMKNCM-ZDUSSCGKSA-N 452.028 5.494 50 10 JKGE C[C@H](c1nscc1Br)N(C)c1ccc(CBr)c(Br)c1 2130029574 FCFJQUCODFHZMQ-MRVPVSSYSA-N 469.040 5.760 50 10 JKGE COc1c(Cl)cc(Br)cc1[C@@H](Cl)c1ccccc1OCc1ccccc1 2138240057 GPYNPMJTIGAXNF-FQEVSTJZSA-N 452.175 7.018 50 10 JKGE BrCc1ccc(Br)cc1N1CCc2sc(Br)cc2C1 2141426308 OGWILEKLPQNCGT-UHFFFAOYSA-N 466.036 5.731 50 10 JKGE Clc1cc(CC[C@H](Cl)c2cccc(Br)c2)ccc1I 2142940700 PMCQFTWEDCGNPR-ZDUSSCGKSA-N 469.975 6.620 50 10 JKGE Clc1cc(CN2[C@H](CBr)C[C@H]3CCC[C@H]32)ccc1I 2142950184 PJHMCOJSWSMJBO-TYNCELHUSA-N 454.577 5.083 50 10 JKGE BrCC(CBr)(CCS[C@@H]1CCOC1)c1cccc(Br)c1 2149125082 UQVHWQDPMKKQDR-CQSZACIVSA-N 487.095 5.389 50 10 JKGE COc1c(C)cc([C@H](Br)c2c(Br)cccc2Br)cc1C 2150495462 XFFSAZTXPCPYLA-HNNXBMFYSA-N 463.007 6.321 50 10 JKGE Cl[C@H](c1cc(Br)cc2c1OCC2)c1c(Br)cccc1Br 2150495672 YMEHIHPGOLCWDC-CQSZACIVSA-N 481.409 6.237 50 10 JKGE C[C@H](Cl)c1nc2cncc(Br)c2n1[C@@H]1CCOC[C@H]1OCc1ccccc1 2151789597 NASKLQJFMHJHIK-MORSLUCNSA-N 450.764 5.040 50 10 JKGE CC[C@H](Cl)[C@H]1CCCCN1C(=O)c1cc(Br)ccc1I 2170619691 VLQYSXODNANTLJ-GXTWGEPZSA-N 470.576 5.066 50 10 JKGE ClC[C@@H](Cc1ccccc1Br)Cc1cc(Br)ccc1Br 2175146844 IFFSBZVYCSQGSU-NSHDSACASA-N 481.453 6.614 50 10 JKGE CCc1ccc(S(=O)(=O)N(Cc2ccccc2)[C@@H](C)C(C)(C)C)cc1CBr 2179859586 GMRWFIDXFVSMLV-KRWDZBQOSA-N 452.458 5.769 50 10 JKGE C[C@@H](CC(CBr)(CBr)c1ccc(Br)cc1)OC(C)(C)C 2192206463 IPYFVIVMHTVFBO-LBPRGKRZSA-N 471.071 6.070 50 10 JKGE C[C@@H](CC(CBr)(CBr)c1ccccc1Br)OC(C)(C)C 2192206726 JVMJDEBDJVGWDX-LBPRGKRZSA-N 471.071 6.070 50 10 JKGE Cc1c(Br)sc([C@H](Br)C23CC(C2)[C@@H](C(F)(F)F)O3)c1Br 2193090505 FLZSSNGPXIISGN-SXXKUFFUSA-N 498.984 6.127 50 10 JKGE CC[C@@H]1[C@H](Br)CC[C@H]1c1sc(Br)c(Br)c1Br 2212290339 XJEOUXOVOGDBFO-RRKCRQDMSA-N 495.900 6.703 50 10 JKGE Cc1sc(Br)c(C)c1[C@H](Br)c1cccc(OCc2ccccc2)c1 2213641132 MYMHYXKUHKUZRR-LJQANCHMSA-N 466.238 7.191 50 10 JKGE COc1cc(CBr)cc(Cl)c1OC[C@@H]1CC1(Br)Br 2218002069 YMYUWZKQAWWGEY-QMMMGPOBSA-N 463.391 5.128 50 10 JKGE Cc1cc(C)c([C@H](Br)c2ccc(Br)c(C)c2Br)s1 2218862760 JBMCOCYMGRRGNU-CYBMUJFWSA-N 453.037 6.683 50 10 JKGE CC1([C@H](Cl)c2c(Br)sc(Br)c2Br)CC2(CCC2)C1 2221003870 OGOIJBLQFVOKJU-SECBINFHSA-N 477.487 7.286 50 10 JKGE O=C(c1csc(Br)c1Br)N1CCC[C@H](CCCBr)C1 2225820850 FREPJCIFHMWMRM-VIFPVBQESA-N 474.056 5.300 50 10 JKGE C[C@H](Cl)c1nc2c(F)cc(Br)cc2n1[C@H]1C[C@@H](C)N(Cc2ccccc2)C1 2232921244 WLFVEGPTGDTZRB-KEYYUXOJSA-N 450.783 6.073 50 10 JKGE Cc1c(Br)ccc([C@@H](Br)c2c(F)ccc(Cl)c2F)c1Br 2234925356 HTPCRJUQFFNBKB-CYBMUJFWSA-N 489.379 6.936 50 10 JKGE Cc1cc(Br)c([C@@H](Br)c2ccc(F)c(F)c2)c(C)c1Br 2235607565 ZRLIQKUFKGJDBB-HNNXBMFYSA-N 468.961 6.591 50 10 JKGE CCc1cc([C@H](Br)c2cc(Br)c(Cl)s2)sc1Br 2247995159 DMNASBKPGBCZNB-VIFPVBQESA-N 479.484 7.035 50 10 JKGE Cc1cc(Br)c([C@H](Br)c2ccsc2Br)c(C)c1F 2253513528 RPDVVJVNJRMVIQ-LLVKDONJSA-N 457.000 6.513 50 10 JKGE Cc1ccc([C@H](Cl)c2ccc(Cl)c(I)c2)c(C)c1Br 2268277867 ZPQMOQHFXKMVFP-OAHLLOKOSA-N 469.975 6.652 50 10 JKGE Fc1cc(Br)c(Cl)cc1[C@@H](Cl)c1ccc(Cl)c(I)c1 2268279761 MKQKXJNIJDYVDU-ZDUSSCGKSA-N 494.356 6.828 50 10 JKGE COc1ccc([C@@H](Br)c2cscc2C(F)F)cc1I 2269557301 UEYCFKDSVHPLAW-GFCCVEGCSA-N 459.093 5.783 50 10 JKGE Cc1cc(Br)c([C@H](Br)c2ccc(F)cc2Br)c(C)c1F 2279156771 ONKSUAOHVDEDRV-CQSZACIVSA-N 468.961 6.591 50 10 JKGE Cc1ccc(N2C(=O)[C@@H](Cc3cccc(Cl)c3)SC2=C(C#N)C(=O)Nc2ccccc2)cc1 2293038867 CGVBDLHDNYDKEI-HSZRJFAPSA-N 473.985 5.713 50 10 JKGE CCCCCCCCOc1ccc(C=C(C#N)C(=O)Nc2ncc(Cc3ccccc3)s2)cc1 2293038942 KJZSMISUUIIOIM-UHFFFAOYSA-N 473.642 7.019 50 10 JKGE CCc1nn(C)c([C@@H](Br)c2cc3sc(Br)cc3s2)c1Br 2295415575 ZQCCSBZOCUHDCN-LBPRGKRZSA-N 499.091 6.268 50 10 JKGE N#CC(=CNc1cc(C(F)(F)F)ccc1Cl)c1nc(-c2ccc(Br)cc2)cs1 2295894328 JIQJVKWDOSIIKR-UHFFFAOYSA-N 484.728 7.221 50 10 JKGE CCCCOc1ccc(NC=C(C#N)c2nc(-c3ccc(-c4ccccc4)cc3)cs2)cc1 2296751241 AUHVXVLVGVIMFY-UHFFFAOYSA-N 451.595 7.633 50 10 JKGE CC(C)c1ccc(C=NNC(=O)C(=Cc2ccc(N(C)C)cc2)NC(=O)c2ccccc2Cl)cc1 2296907961 JQDPBGBVNTUWHD-UHFFFAOYSA-N 489.019 5.451 50 10 JKGE Cc1cc(Br)c([C@@H](Cl)c2cc(Br)ccc2OCc2ccccc2)s1 2299492892 JESLLUXVFLVJQM-SFHVURJKSA-N 486.656 7.489 50 10 JKGE C[C@]1(C(F)(F)F)C[C@H]1[C@H](Br)c1sc(Cl)cc1I 2300957852 UIGWSTBCARQHLP-IKTTWNKZSA-N 459.496 6.031 50 10 JKGE Fc1cc(Br)cc([C@@H](Cl)c2sc(Cl)cc2I)c1 2301085150 BFHJJEQSTQRFPI-SNVBAGLBSA-N 465.940 6.236 50 10 JKGE N#CC(=Cc1ccccc1OCc1ccccc1Cl)C(=O)Nc1cccc(Cl)c1Cl 2313570831 HBGAQEABZMOQLX-UHFFFAOYSA-N 457.744 6.771 50 10 JKGE C#CCOc1c(Br)cc(C=C(C#N)C(=O)Nc2cccc(Cl)c2Cl)cc1CC=C 2313570854 HUEKEVZGTQLTCX-UHFFFAOYSA-N 490.184 6.042 50 10 JKGE COc1ccccc1[C@H](Br)c1cc(Br)ccc1OCc1ccccc1 2314450007 VJCUPLWHCIMMJD-NRFANRHFSA-N 462.181 6.521 50 10 JKGE Brc1ccc(OCc2ccccc2)c([C@H](Br)[C@@H]2CC[C@H]3C[C@H]2CO3)c1 2314497591 LTXOXXVMRSYNSX-DZKDUJFISA-N 466.213 6.279 50 10 JKGE CCc1ccc(N2C(=O)[C@H](Cc3ccccc3)SC2=C(C#N)C(=O)Nc2ccc(C)cc2)cc1 2314591657 AOMNXLCJRKKAJP-VWLOTQADSA-N 467.594 5.622 50 10 JKGE Fc1c(Br)cc(Cl)c([C@H](Br)[C@H]2[C@H]3COC[C@H]32)c1Br 2315453853 QPGDYKWVJVTVMI-LRXXKQTNSA-N 463.366 5.333 50 10 JKGE Cc1c(Cl)sc(Cl)c1[C@@H](Cl)c1c(Br)c(Br)nn1C 2316832999 UMGUWVAALSKYGN-ZCFIWIBFSA-N 453.414 5.950 50 10 JKGE Cc1nc(Cc2ccccc2)sc1C(=O)NNC(=O)C=Cc1ccc(OCc2ccccc2)cc1 2323423965 CZNJPSMNGSBARJ-UHFFFAOYSA-N 483.593 5.096 50 10 JKGE CC[C@@H](NC(=O)C(C#N)=CNCc1ccccc1Br)c1ccc2c(c1)CCCC2 2325092937 LVDHHSUYRIQWLA-HSZRJFAPSA-N 452.396 5.092 50 10 JKGE Cc1ccc(S(=O)(=O)NCC(O)=C(C#N)c2nc(-c3ccc(Cl)c(Cl)c3)cs2)cc1 2331311903 KVZYNKRMAHGUMO-UHFFFAOYSA-N 480.398 5.197 50 10 JKGE COc1ccc(C)cc1-c1csc(C(C#N)=C(O)C=Cc2cc(OC)c(OC)c(OC)c2)n1 2331322984 PZEYTBQURXEZPN-UHFFFAOYSA-N 464.543 5.659 50 10 JKGE CCOc1ccc(OCC)c(-c2csc(C(C#N)=C(O)C=Cc3ccc(OC)cc3OC)n2)c1 2331376510 LSJUAKIRFSXQKH-UHFFFAOYSA-N 478.570 6.131 50 10 JKGE CCOc1ccc(-c2csc(C(C#N)=C(O)c3cc([N+](=O)[O-])cc([N+](=O)[O-])c3C)n2)c(OCC)c1 2331389133 WCCPJPJVFCFCET-UHFFFAOYSA-N 496.501 5.682 50 10 JKGE COc1cc(C=C(C#N)c2nc(-c3ccc4c(c3)OCCO4)cs2)ccc1OC(=O)c1ccccc1 2331452251 YNWSHUYKTWSCFK-UHFFFAOYSA-N 496.544 5.873 50 10 JKGE Cn1cc(Br)c([C@H](Cl)c2c(F)cc(Cl)c(Br)c2Cl)n1 2335371669 OLQPCTOVCNXVSZ-SNVBAGLBSA-N 451.348 5.719 50 10 JKGE Fc1cc(F)c([C@H](Br)c2cc(Br)ccc2OCc2ccccc2)c(F)c1 2336048254 SKYSJOFWJHISBH-HXUWFJFHSA-N 486.125 6.930 50 10 JKGE Fc1c(Br)cc(Cl)c([C@H](Br)[C@H]2CC23CCCC3)c1Br 2337110392 AFBJGCIORQJIRE-RDDDGLTNSA-N 475.421 7.020 50 10 JKGE Cc1c(Br)ccc([C@@H](Br)[C@H]2COC3(C)CC2C3)c1Br 2337686925 VKLTWZSDEFCVOH-QWPMPIJLSA-N 453.012 5.771 50 10 JKGE COc1ccccc1C[C@@H](Br)c1ccc(Cl)cc1I 2340060104 ZJCSBGAIFAAMQZ-CYBMUJFWSA-N 451.529 5.632 50 10 JKGE Cc1cc([C@H](Cl)c2ccc(Cl)cc2I)c(C)cc1Br 2340060409 CBPNELQDYQWQSD-OAHLLOKOSA-N 469.975 6.652 50 10 JKGE Clc1ccc([C@@H](CBr)Cc2ccc(Cl)cc2I)cc1 2341027554 LQHQYLXMYVBRFY-GFCCVEGCSA-N 469.975 6.319 50 10 JKGE FC1(F)C2(CCC2)[C@@]1(CBr)Cc1cc(I)ccc1Cl 2352418004 PUTXXSBGJWMPED-ZDUSSCGKSA-N 461.515 5.688 50 10 JKGE Fc1cc(Br)c(F)c(Br)c1[C@@H](Br)[C@@H]1OC[C@@H]2CCC[C@@H]21 2359722410 XKPFNYBGAVSFRL-LTGHRUORSA-N 474.965 5.741 50 10 JKGE Brc1cc(OCc2ccccc2)ccc1[C@H](Br)C1CC2(C1)CC1(CCC1)C2 2361168875 PWILXLWPEAFOLW-JOCHJYFZSA-N 490.279 7.825 50 10 JKGE Brc1cc(Br)cc(O[C@H]2C[C@@H](Br)C23CCCCCC3)c1 2364223668 YRFJRMLDCJYGDK-CABCVRRESA-N 467.039 6.467 50 10 JKGE BrCc1cc(Br)cc(Br)c1OCC[C@H]1CC[C@H]1C1CC1 2368464226 JYXOEXDYEUGBGR-RISCZKNCSA-N 467.039 6.312 50 10 JKGE O=C(N/N=C/c1ccc(Cl)cc1Cl)c1ccc2c(c1)CN(c1ccc(Br)cc1)C2 2076639 TXISVFDJCQSZEZ-KBKYJPHKSA-N 489.200 6.040 50 10 JKGE COc1cccc(N/C(SCc2ccccc2Cl)=C(/C#N)C(=O)NCc2cccs2)c1 3059016 HPJWMJKYHIRCBN-BSYVCWPDSA-N 470.019 5.807 50 10 JKGE Cc1ccc(N/C(SCc2ccccc2F)=C(/C#N)S(=O)(=O)c2ccccc2)c(C)c1 20325184 GGLHCSKVZQVUNK-WCWDXBQESA-N 452.576 5.954 50 10 JKGE N#C/C(=C\c1cccc(/C=C(\C#N)c2ccc(C(F)(F)F)cn2)c1)c1ccc(C(F)(F)F)cn1 22958341 SLSPGOOOMKULKW-BEQMOXJMSA-N 470.376 6.643 50 10 JKGE COc1ccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)C(c4ccccc4)c4ccccc4)ccc32)cc1 38650413 UFYGKIYDQHTAEZ-GDLZYMKVSA-N 488.543 5.651 50 10 JKGE CCOc1cccc(C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@@H]3c2cccc3ccccc23)c1 38657882 AUYVFKIMGQQSBG-HHHXNRCGSA-N 462.505 5.676 50 10 JKGE CC(C)c1ccc(OCC(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@@H]3c2cccc3ccccc23)cc1 38657913 AKQDETHITTVLTB-SSEXGKCCSA-N 490.559 6.166 50 10 JKGE CCCCCOc1cccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4cccc(OC)c4)ccc32)c1 38684766 WQMJPHNPZCFXLO-HHHXNRCGSA-N 484.552 5.702 50 10 JKGE COc1cccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4oc5ccccc5c4C)ccc32)c1OC 38688635 XVLYSJWVVYJLOS-DEOSSOPVSA-N 482.492 5.196 50 10 JKGE O=C(NNc1ncnc(NC(c2ccccc2)c2ccccc2)c1[N+](=O)[O-])c1cccc2ccccc12 40650610 UCCJLPZDBMLVBY-UHFFFAOYSA-N 490.523 5.496 50 10 JKGE CCOc1ccc2ccccc2c1/C=N/NC(=O)COc1cc(C)c(Br)cc1C(C)C 40912195 HLBXMJGFUUBPCD-MZJWZYIUSA-N 483.406 5.962 50 10 JKGE CCc1ccc(OCCCC(=O)N/N=C/c2cccc(Br)c2)c(Br)c1 40959278 YXAJAVIAMQALNT-LPYMAVHISA-N 468.189 5.083 50 10 JKGE CCCCCCCCCCCCCCCCOC(=S)N[C@H]1CS(=O)(=O)C[C@@H]1Cl 59568434 YFEGLVIVJRHYHD-PMACEKPBSA-N 454.142 5.763 50 10 JKGE O=C(N/N=C/c1ccc(-c2cccc(Br)c2)o1)c1cc2cc(Br)ccc2o1 59680356 WKCCDLIZVLIZKC-FOKLQQMPSA-N 488.135 5.982 50 10 JKGE COc1ccc([C@@H](C(=O)NC2CCCCC2)N(CCc2ccc(Cl)cc2)C(=O)CCl)cc1 97914330 NFQSJBMCAUJZBI-DEOSSOPVSA-N 477.432 5.149 50 10 JKGE CCCCCCCCOc1ccc(/C=C2/C(=O)N(C3CCCCC3)C(=O)C(C#N)=C2C)cc1OC 101339093 CXMHPYZFIDAIEG-HKOYGPOVSA-N 478.633 6.359 50 10 JKGE BrCC(CBr)(Cc1cccs1)c1ccccc1Br 118671997 DYIWPPONZHPYEY-UHFFFAOYSA-N 453.037 5.781 50 10 JKGE COc1ccc(C[C@@H](CBr)c2ccccc2Br)cc1Br 118867535 KAVDKMBBNODEBR-LBPRGKRZSA-N 463.007 5.941 50 10 JKGE Fc1ccc([C@@H](Br)c2cc(Br)sc2Br)c(F)c1F 127329756 WERNUKMINHYYSI-MRVPVSSYSA-N 464.926 6.175 50 10 JKGE COc1ccc(CC[C@H](Br)c2cc(Br)c(Br)s2)cc1 128209742 PGWVANVVASLQHI-NSHDSACASA-N 469.036 6.351 50 10 JKGE COc1cc(Br)c([C@@H](Br)c2cc(C)cc(Br)c2)cc1OC 131984435 KMOMKJQBPZRBBN-INIZCTEOSA-N 479.006 6.022 50 10 JKGE Brc1cc([C@@H](Br)[C@@H]2C[C@@H]2c2ccccc2)c(Br)s1 164299250 QFYJSQQFQNMCTQ-BREBYQMCSA-N 451.021 6.513 50 10 JKGE CCCCCCCCCOc1ccc(/C=N\NC(=O)c2sc(N)nc2CC)cc1Cl 169892194 CICNUNDRIGPJAL-MYYYXRDXSA-N 451.036 5.834 50 10 JKGE Cc1ccccc1P(c1ccccc1C)[C@@H](C)[C@H]1CCC[C@@H]1P(C(C)(C)C)C(C)(C)C 202319898 KJLGULUIPNNIDJ-XFAFFCHDSA-N 454.619 8.372 50 10 JKGE Clc1cc([C@@H](Br)Cc2nc3ccccc3o2)ccc1I 232386594 MFLZPDFHZPKSGO-JTQLQIEISA-N 462.512 5.765 50 10 JKGE Clc1ccc(Br)c([C@@H](Br)c2cc(Br)c(Cl)s2)c1 236051015 RJYJVJFCDGKMTN-SNVBAGLBSA-N 479.846 7.064 50 10 JKGE Fc1ccc(F)c([C@@H](Br)c2cc(I)ccc2Br)c1 236167064 JKEAPWKMYCWOBE-ZDUSSCGKSA-N 487.907 5.816 50 10 JKGE Fc1ccc(C[C@H](Br)c2cc(Cl)ccc2I)cc1F 236169934 HRZZSZMIWJHRAP-NSHDSACASA-N 457.483 5.902 50 10 JKGE Fc1ccccc1C[C@@H](Br)c1cc(Br)ccc1I 236173014 NARZLCZOQGJZKL-GFCCVEGCSA-N 483.944 5.872 50 10 JKGE O=C(COc1ccc(-c2ccccc2)cc1)NN=Cc1cccc(OC(=O)c2ccc([N+](=O)[O-])cc2)c1 254765976 OKMKWKMBIPRIFZ-UHFFFAOYSA-N 495.491 5.010 50 10 JKGE BrCC(CBr)(CCC1CCCC1)c1ccccc1Br 305901878 BIXZQKZIKAMEQR-UHFFFAOYSA-N 453.056 6.447 50 10 JKGE Cc1cc(Br)c([C@@H](Cl)c2c(C)cccc2Br)cc1Br 312101035 UOPTXFUYUFTIHM-OAHLLOKOSA-N 467.426 6.919 50 10 JKGE Cc1cc(Br)c([C@H](Br)c2ccccc2OCc2ccccc2)s1 381981109 MVXCSUJFWUCMMP-GOSISDBHSA-N 452.211 6.882 50 10 JKGE Cc1cc(Br)c([C@@H](Br)c2coc(Br)c2)cc1Br 393930506 FRAWFLIEHAORCH-LBPRGKRZSA-N 487.811 6.360 50 10 JKGE Cc1oc(Br)cc1[C@H](Br)c1cc(Br)c2c(c1)CCCO2 689553473 MNGWRVWXAXKHPR-CQSZACIVSA-N 464.979 5.922 50 10 JKGE C[C@H]1C[C@@H](n2c(CCl)nc3ccc(F)c(Br)c32)CCN1Cc1ccccc1 701654633 ZFKOHTNFACAPAA-HOCLYGCPSA-N 450.783 5.902 50 10 JKGE CCN(CC)c1c(C=NNC(=O)c2ccc(NC(=O)c3ccccc3)cc2)c(C)nn1-c1ccccc1 1084059946 JBGPYQKSYMJHRZ-UHFFFAOYSA-N 494.599 5.043 50 10 JKGE Cc1ccc(COc2ccc(Br)cc2/C=C(/C#N)C(=O)Nc2ccccc2Cl)cc1 1084279259 KBPVDTGVTSRTMH-UNOMPAQXSA-N 481.777 6.536 50 10 JKGE COc1cc(/C=C(\C#N)C(=O)Nc2cccc(Cl)c2Cl)ccc1OCc1ccc(F)cc1 1084428100 AYHWFMIDSDYTJG-GZTJUZNOSA-N 471.315 6.266 50 10 JKGE Cc1cc(C=NNC(=O)CSCc2ccc([N+](=O)[O-])cc2)c(C)n1-c1ccc(Cl)cc1 1084613154 NZBLITUVQCRZRH-UHFFFAOYSA-N 456.955 5.039 50 10 JKGE O=C(NN=C(c1ccc(Cl)cc1)c1ccc2c(c1)OC(F)(F)O2)Nc1ccc(Cl)cc1 1088719238 JCOJAHYCDYPOPL-UHFFFAOYSA-N 464.255 5.889 50 10 JKGE CCOc1ccccc1NC(=O)c1oc2c(c1C)C(=NNC(=O)c1ccc3ccccc3n1)CCC2 1772751803 ZBWXDKLNCBDMDA-UHFFFAOYSA-N 482.540 5.258 50 10 JKGE CCOC(=O)c1c(-c2ccc(C(C)C)cc2)csc1NC(=O)C(=O)Nc1ccc(SC#N)cc1 1860747591 PDZINYJFBFNZPT-UHFFFAOYSA-N 493.610 5.866 50 10 JKGE CCc1nn(-c2ccc(Cl)c(Cl)c2)c2c1[C@H](c1c(Cl)cccc1Cl)C(C#N)=C(N)O2 1865686328 TYBQCQMZSKRCND-KRWDZBQOSA-N 480.182 6.266 50 10 JKGE COc1ccc(-c2nn(-c3ccc(Cl)cc3)c3c2[C@H](c2cc(C)ccc2O)C(C#N)=C(N)O3)cc1 1865686966 GHXCZDJUDOEGKV-HSZRJFAPSA-N 484.943 5.434 50 10 JKGE COc1ccc(OC)c([C@@H]2C(C#N)=C(N)Oc3c2c(-c2ccccc2)nn3Cc2ccc(Cl)cc2)c1 1865692863 PPTWIGWUQBJZQN-XMMPIXPASA-N 498.970 5.487 50 10 JKGE CCCc1nn(-c2ccc(Cl)c(Cl)c2)c2c1[C@@H](c1ccc(OCC)c(OC)c1)C(C#N)=C(N)O2 1865695207 MQUZIVYMYKSLTL-QFIPXVFZSA-N 499.398 5.757 50 10 JKGE Cc1ccccc1COc1ccc([C@@H]2C(C#N)=C(N)Oc3c2c(C)nn3Cc2cccc(Cl)c2)cc1 1865702932 IPZXKBDEDVAKOC-HHHXNRCGSA-N 496.998 5.999 50 10 JKGE CCc1nn(-c2ccc(Cl)cc2)c2c1[C@@H](c1ccc(OC(=O)c3ccccc3)cc1)C(C#N)=C(N)O2 1865705390 UPQGHHXFXDRKRK-DEOSSOPVSA-N 496.954 5.525 50 10 JKGE CC(C)[C@H](CC(=O)N[C@@H](C(=O)Nc1ccc(SC#N)cc1)c1ccccc1)c1ccc(F)cc1 1866749249 RGZURGOXBCJSAD-AZGAKELHSA-N 475.589 6.025 50 10 JKGE Cc1ccc(-c2nc(Nc3ccc(SC#N)cc3)cc(N3CCN(C(C)C)c4ccccc43)n2)cc1 1868320259 GKPZNQNDEPRULT-UHFFFAOYSA-N 492.652 7.135 50 10 JKGE Cc1cc(OCc2cccc(CCl)c2)cc2c1C(=O)/C(=C/c1cc(Cl)cc3c1OCOC3)O2 1871437464 ZFFQHGBAPUQIGK-AQHIEDMUSA-N 483.347 6.449 50 10 JKGE CCOc1cc(/C=C(\C#N)c2ccc(C(=O)OC(C)C)o2)ccc1OCc1ccc(Cl)cc1 1872728710 PCELWXALPMRGEN-DEDYPNTBSA-N 465.933 6.540 50 10 JKGE CCCCc1ccc(-c2csc(/C(C#N)=C(\O)c3ccc(NS(C)(=O)=O)cc3)n2)cc1 1872744732 GFVCSDJPLRPYME-XDOYNYLZSA-N 453.589 5.474 50 10 JKGE N#C/C(=C(/O)c1ccccc1C(=O)c1ccccc1)c1nc(-c2ccc(Br)cc2)cs1 1872746717 USDPFTVEKLSHAG-FLFQWRMESA-N 487.378 6.753 50 10 JKGE CC[C@@H](C)[C@H](/C(O)=C(\C#N)c1nc(-c2ccc(C)cc2C)cs1)N1C(=O)c2ccccc2C1=O 1872748571 CQWMIBFMSWFMDN-SFEBSOCUSA-N 471.582 5.931 50 10 JKGE N#C/C(=C(/O)CCCOc1ccc(Cl)cc1Br)c1nc(-c2cccs2)cs1 1872750766 QLFVJPSRLUOJER-SSZFMOIBSA-N 481.824 6.939 50 10 JKGE COc1ccc(C)cc1-c1csc(/C(C#N)=C/c2cc(Br)cc(OC)c2O)n1 1872791119 WQASAPLUHPIPQW-VGOFMYFVSA-N 457.349 5.668 50 10 JKGE Cc1cc(Br)c([C@H](Br)c2cc(I)sn2)s1 1909888969 JXCUFNRGZQWTCO-MRVPVSSYSA-N 479.000 5.364 50 10 JKGE Fc1ccc([C@@H](Br)c2sc(Br)cc2Br)c2ccccc12 1922954591 PSQZYGXJNOLAAF-CQSZACIVSA-N 479.006 7.050 50 10 JKGE C[C@@H](c1ccncc1Br)[C@@H](Br)c1cccc(Br)c1F 1924038855 HYJPUICBHIVJOO-ISVAXAHUSA-N 451.959 5.985 50 10 JKGE CC1(C)C[C@H]1[C@@H](Br)c1c(Br)sc(Br)c1Br 1924576777 SCMIMWMGTILHJJ-UJURSFKZSA-N 481.873 6.518 50 10 JKGE CC[C@@H](CC(F)(F)F)[C@@H](Cl)c1c(Br)sc(Br)c1Br 1924604921 JZWLFJNERRVZNP-MHTLYPKNSA-N 493.408 7.294 50 10 JKGE Brc1ccc(C[C@H](Br)c2cscc2OCc2ccccc2)cc1 1939522612 USUXZXYBEHKJIT-SFHVURJKSA-N 452.211 6.768 50 10 JKGE Clc1ccc([C@@H](Br)c2c(Br)cccc2Br)cc1Cl 2033083471 DQXRQVSOKXPDMX-CYBMUJFWSA-N 473.817 7.003 50 10 JKGE FC1(F)[C@@H]2CC[C@H]([C@@H](Cl)c3c(Br)sc(Br)c3Br)[C@@H]21 2040540397 FEZVEOQXXXOKSK-MIZGGHSWSA-N 485.413 6.607 50 10 JKGE COc1cc(C=C(C#N)c2nc3cc(C(F)(F)F)ccc3s2)cc(OC)c1OC(F)F 2041455066 NRLBAOISPFSGQU-UHFFFAOYSA-N 456.392 5.998 50 10 JKGE Cc1c(Br)sc([C@@H](Br)C2(CC3CCC3)CC2)c1Br 2069582289 ZORXGFBYUKJWCU-GFCCVEGCSA-N 457.069 6.988 50 10 JKGE Brc1cc([C@H](Br)[C@@H]2C[C@H]3COC[C@H](C3)C2)c(Br)s1 2085748618 QCICODVLIJUDEI-JDVQERKKSA-N 459.041 5.772 50 10 JKGE Clc1ccc(C[C@H](CBr)c2ccc(Br)cc2)c(Br)c1 2088514696 NQCMNAKYOPPVGH-GFCCVEGCSA-N 467.426 6.586 50 10 JKGE CC1(C)CC[C@@H](CBr)N(Cc2ccc(Br)cc2Br)C1 2092262129 WWZLOCKMBQOABB-ZDUSSCGKSA-N 454.044 5.597 50 10 JKGE CC1(C)C[C@H](Br)CCN(Cc2ccc(Br)cc2Br)C1 2092266530 LWELQVLCWGJGKS-CYBMUJFWSA-N 454.044 5.597 50 10 JKGE Brc1ccc(Br)c([C@H](Br)[C@@]23CCCC[C@@H]2OCC3)c1 2092627904 SQDPJFTZTNWMGV-SOUVJXGZSA-N 453.012 5.997 50 10 JKGE C[C@H]1CCC[C@H]1CC(CBr)(CBr)c1ccc(Br)cc1 2093452923 HKEJIYUXADXDIS-STQMWFEESA-N 453.056 6.303 50 10 JKGE CCn1ncc(Br)c1C[C@@H](CBr)c1ccccc1Br 2094300261 UTTLCAVSIKRAEY-JTQLQIEISA-N 451.000 5.149 50 10 JKGE Brc1cccc(Br)c1CC[C@H](Br)CN1CCCCC1 2099486478 DTWNNESBFBPLRQ-LBPRGKRZSA-N 454.044 5.394 50 10 JKGE FC1(F)CC2(CC([C@@H](Cl)c3c(Br)sc(Br)c3Cl)C2)C1 2102619596 IRCKLINVTAIGQZ-SSDOTTSWSA-N 454.989 7.032 50 10 JKGE Cc1cc([C@@H](Br)c2cc(I)ccc2F)c(C)cc1Br 2113359165 YSMQQZXOYDLBEK-OAHLLOKOSA-N 497.971 6.294 50 10 JKGE C[C@@H]1CC[C@@H](COc2c(Br)cc(CBr)cc2Br)OC1 2116416585 ATLBYTDOEOCFCE-KOLCDFICSA-N 457.000 5.300 50 10 JKGE Cc1cccc([C@@H](Br)c2ccc(Br)c(C)c2Br)c1Cl 2138851265 JTFUFZLXRBBLNA-AWEZNQCLSA-N 467.426 6.966 50 10 JKGE COc1cccc(CBr)c1OCc1c(Br)cccc1Br 2150486912 FIILCVUDVBBYOF-UHFFFAOYSA-N 464.979 5.694 50 10 JKGE COc1cccc([C@@H](Br)CCc2cccc(Br)c2Br)c1 2155652538 CBQCOBSPGWJTTP-AWEZNQCLSA-N 463.007 6.289 50 10 JKGE Brc1ccc(CN2CCC3(CCC(Br)CC3)C2)c(Br)c1 2156001697 UZXFKOCUPFSBOX-UHFFFAOYSA-N 466.055 5.741 50 10 JKGE COc1cc(Br)c([C@H](Br)c2scc(C)c2Br)cc1OC 2157034837 AWSIUYGIAVWMAV-ZDUSSCGKSA-N 485.035 6.083 50 10 JKGE C[C@@H](CCn1c(CCCl)nc2cc(Br)c(Cl)cc21)N(C)Cc1ccccc1 2159874528 PDIBTTPSYZWUAS-HNNXBMFYSA-N 469.254 6.144 50 10 JKGE ClCc1nc2cc(Br)c(Cl)cc2n1[C@H]1CCCN(Cc2ccccc2)CC1 2160563931 KFTIQPIREYKRPR-INIZCTEOSA-N 467.238 6.418 50 10 JKGE Cc1cc(Br)sc1CN(C)c1cc(Br)cc(F)c1CBr 2170696452 DUTFNECXGDVOAP-UHFFFAOYSA-N 486.042 6.252 50 10 JKGE Fc1ccc(CBr)c(OCc2cc(Br)ccc2Br)c1F 2175142220 NZBFKGFWHNRANU-UHFFFAOYSA-N 470.933 5.964 50 10 JKGE CCOc1ccc(S(=O)(=O)N(Cc2ccccc2)[C@@H](C)C(C)C)cc1CBr 2179828937 VQTIWPPNOJZLRO-KRWDZBQOSA-N 454.430 5.216 50 10 JKGE COc1cc(C)c([C@H](Br)c2nn(C)c(Cl)c2Br)cc1Br 2198730039 GUDZUDHGOZHUGU-JTQLQIEISA-N 487.417 5.400 50 10 JKGE Cc1c(Br)ccc([C@H](Br)[C@@H]2CC3(CCCC3)CO2)c1Br 2203703525 IYLQFAWPJHFUCL-ZFWWWQNUSA-N 467.039 6.305 50 10 JKGE COc1cc(F)c(Cl)cc1[C@@H](Br)c1cccc(Br)c1Br 2207357451 NWQLALWOKKKVSC-ZDUSSCGKSA-N 487.388 6.497 50 10 JKGE CC(C)(C)OC(=O)N1CCC(CI)(OCCCCCC2CC2)CC1 2216704240 UHSNDVLGUJVZFO-UHFFFAOYSA-N 451.389 5.178 50 10 JKGE Cc1cc(Br)c([C@@H](Cl)c2csc(I)c2)c(C)c1Cl 2217610944 NZLAZOBPGYMTGD-ZDUSSCGKSA-N 476.004 6.714 50 10 JKGE CCc1ccc([C@H](Br)c2cc(Br)c(Br)cc2F)cc1 2225615791 LNALIDQOSQAWAU-HNNXBMFYSA-N 450.971 6.397 50 10 JKGE CC1(C)[C@@H]2CC([C@H](Br)c3cc(Br)c(Br)cc3F)C[C@H]21 2225618359 YMPOYFRUDDVRGH-RULNRJAQSA-N 455.003 6.469 50 10 JKGE Fc1cc(Br)c(Br)cc1[C@H](Br)[C@@]12CCC[C@@H](C1)OC2 2225620452 VCYCENVYQWBTRC-YZMDESFKSA-N 456.975 5.746 50 10 JKGE ClCc1nc2cc(Br)c(Br)cc2n1[C@@]12C[C@@H]1CN(Cc1ccccc1)C2 2225695546 AUXMSRGTFYBMJD-JLTOFOAXSA-N 495.646 5.531 50 10 JKGE Cc1cc(Br)c([C@H](Br)[C@@H]2[C@H]3CCCC[C@H]32)c(C)c1Br 2227348005 LNODGVCFZVHAHI-CIGZNWKYSA-N 451.040 6.701 50 10 JKGE Cc1cc([C@H](Cl)c2cc(Br)ccc2Br)cc(C)c1Br 2227418732 KURYUCIYXHTANZ-HNNXBMFYSA-N 467.426 6.919 50 10 JKGE Cc1csc([C@@H](Br)c2c(F)cc(F)c(Br)c2F)c1Br 2227803224 LPARXMKEZIHUGY-JTQLQIEISA-N 478.953 6.483 50 10 JKGE Clc1cc(Cl)cc(C[C@H](Br)c2cc(Br)ccc2Br)c1 2232161961 MJVAKQGRBUFCAO-AWEZNQCLSA-N 487.844 7.197 50 10 JKGE FC1(F)CC[C@@H]2[C@H]([C@@H](Br)c3c(Br)cc(Cl)c(Cl)c3Cl)[C@@H]21 2232510266 GXLILTKYBWXKPB-GNDQRKBOSA-N 469.378 7.137 50 10 JKGE Clc1cc(Br)c([C@H](Br)[C@@H]2[C@H]3[C@H]4CC[C@@H](C4)[C@H]32)c(Cl)c1Cl 2232511561 KOHHDTNVZGZVPD-JCMYWTNASA-N 459.436 7.137 50 10 JKGE Cc1cc(Br)c(C)c([C@@H](Br)c2sc(C)c(C)c2C)c1Br 2236842671 ZWHOGPBCUSXATD-OAHLLOKOSA-N 481.091 7.300 50 10 JKGE COC12CCC([C@H](Br)c3cc(Br)c(Br)cc3F)(CC1)C2 2240261022 KAGLICNCQNUIFU-WLYUNCDWSA-N 471.002 6.136 50 10 JKGE C[C@@H]1[C@@H]([C@@H](Br)c2c(F)cc(Br)c(F)c2Br)C1(F)F 2260014603 QEHWFHGJOOLIDP-PLLMXSQQSA-N 454.881 5.827 50 10 JKGE Clc1ccc([C@@H](Br)Cc2cc(Br)cc(Br)c2)cc1Cl 2277898905 ZKJOEUZOKYGHGM-LBPRGKRZSA-N 487.844 7.197 50 10 JKGE Brc1cc(Br)cc(C[C@H](Br)C2[C@@H]3CCCCC[C@@H]23)c1 2277953184 ONIIEGCJBIUHHG-KFWWJZLASA-N 451.040 6.344 50 10 JKGE N#CC(=Cc1ccc(-c2ccc([N+](=O)[O-])cc2Cl)o1)C(=O)Nc1cc([N+](=O)[O-])ccc1F 2297551486 NKKYGBNVKCSIQX-UHFFFAOYSA-N 456.773 5.101 50 10 JKGE FC1(F)[C@@H]([C@@H](Br)c2sc(Cl)cc2I)C12CCC2 2301086494 OMWWEOGHKVWFJL-CBAPKCEASA-N 453.517 5.878 50 10 JKGE Clc1ccc([C@H](Br)c2cc(Cl)sc2Cl)c(I)c1 2301794443 NHACJIIEUWOZLV-JTQLQIEISA-N 482.395 6.797 50 10 JKGE CN(Cc1c(Br)cccc1Br)CC(C)(C)CI 2306814354 BKVSHFNIYDULQV-UHFFFAOYSA-N 475.006 5.105 50 10 JKGE COc1cc(C=C(C#N)C(=O)Nc2ccc(Cl)cc2)cc(Br)c1OCc1ccccc1 2313518520 HOQKBSCWOBYVKN-UHFFFAOYSA-N 497.776 6.236 50 10 JKGE CCOc1cc(C=C(C#N)C(=O)Nc2cc(C)ccc2C)ccc1OCc1ccc([N+](=O)[O-])cc1 2313560803 HHGFYVPBOVFXNS-UHFFFAOYSA-N 471.513 5.735 50 10 JKGE Brc1cc(OCc2ccccc2)ccc1[C@H](Br)C[C@H]1CCCOCC1 2314455566 PRRYXYZCUYUMDR-OXJNMPFZSA-N 468.229 6.671 50 10 JKGE CCOc1ccc(NC(=O)C(C#N)=Cc2cn(-c3ccccc3)nc2-c2ccc(OC)cc2)cc1 2314489215 QQHMVFWSIGPRHK-UHFFFAOYSA-N 464.525 5.492 50 10 JKGE CCCCCCN1C(=O)C(=Cc2ccc(OCCC(C)C)c(OCC)c2)C(C)=C(C#N)C1=O 2314610848 NAVHKEQMAAXDOH-UHFFFAOYSA-N 452.595 5.683 50 10 JKGE CCCOc1ccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)C=Cc4ccc(C)cc4)ccc32)cc1 2314634144 RADLIJKDAQEWDX-NDEPHWFRSA-N 466.537 5.621 50 10 JKGE CCOc1cc(C=C(C#N)C(=O)NCc2ccco2)ccc1OC(=O)c1cccc2ccccc12 2314771076 SBHRLFMAUMWXRN-UHFFFAOYSA-N 466.493 5.274 50 10 JKGE CCCCOc1ccc2nc(NC(=O)C(C#N)=Cc3ccc(OCC)c(OC)c3)sc2c1 2314777755 SNRLKVGLXBMUBJ-UHFFFAOYSA-N 451.548 5.428 50 10 JKGE COc1cc([C@@H](Br)c2sc(Cl)cc2I)ccc1C 2316599035 LLWADAGCPAYQAQ-GFCCVEGCSA-N 457.558 5.807 50 10 JKGE Clc1cc(I)c([C@@H](Br)c2cccc(C3CC3)c2)s1 2316659518 UEAGKGSFAFRFKI-ZDUSSCGKSA-N 453.570 6.368 50 10 JKGE Cc1cc(I)ccc1NC=C(C#N)C(=O)Nc1cc(Cl)ccc1C 2318462967 UHIXAFFBJPVZOF-UHFFFAOYSA-N 451.695 5.020 50 10 JKGE Cc1nc(-c2ccc(Cl)cc2Cl)ccc1C(=O)NN=Cc1ccc(Cl)c([N+](=O)[O-])c1 2321242169 FCYJHHAQKOCTMG-UHFFFAOYSA-N 463.708 5.689 50 10 JKGE COc1ccc(CCNC(=O)C(C#N)=CNc2ccc(-c3nc4ccc(C)cc4s3)cc2)cc1 2324788095 XRMIXRXIKKYKGY-UHFFFAOYSA-N 468.582 5.459 50 10 JKGE C[C@H](Br)[C@@H]1CCCN(Cc2ccc(I)c(Br)c2)C1 2325215348 YDZATSODIVZHPG-CMPLNLGQSA-N 487.017 5.049 50 10 JKGE COc1cccc(C=C(C#N)c2cc3c(cc2[N+](=O)[O-])OCCO3)c1OCc1cccc(C)c1 2331051340 AMQYTXUOOYVAQM-UHFFFAOYSA-N 458.470 5.326 50 10 JKGE COc1cc(C)c(-c2csc(C(C#N)=C(O)[C@@H](C)N3C(=O)c4ccccc4C3=O)n2)cc1C(C)C 2331353850 CWMVBXTXRIKEOZ-MRXNPFEDSA-N 487.581 5.728 50 10 JKGE CCOc1ccc(OCC)c(-c2csc(C(C#N)=C(O)Cc3ccc(OC)c(OC)c3)n2)c1 2331376107 ICAKXRQQHQAPNW-UHFFFAOYSA-N 466.559 5.660 50 10 JKGE CCCCCOc1ccc(C=C(C#N)c2nc(-c3cccc(Br)c3)cs2)cc1OCC 2331432144 UUJHBSRUBBCBCW-UHFFFAOYSA-N 497.458 7.604 50 10 JKGE COc1ccc(-c2csc(C(C#N)=Cc3cc(Br)cc(OC)c3O)n2)c(C)c1C 2331468236 NGNDKRDFKPHUDF-UHFFFAOYSA-N 471.376 5.976 50 10 JKGE COc1ccc(-c2csc(C(C#N)=Cc3ccccc3OCc3ccc(Cl)cc3)n2)cc1Cl 2331484762 RCQAXPCHDLCDSR-UHFFFAOYSA-N 493.415 7.769 50 10 JKGE FC(F)(F)c1cc([C@H](Cl)c2cc(Br)ccc2OCc2ccccc2)cs1 2336054354 RFVICTPQPUZPRS-SFHVURJKSA-N 461.730 7.437 50 10 JKGE Cc1ccc([C@H](Br)c2ccc(OCc3ccccc3)cc2Br)c(F)c1F 2336084355 SNSVXRBEWUYIQJ-LJQANCHMSA-N 482.162 7.099 50 10 JKGE CO[C@@H]1C[C@]2([C@H](Br)c3c(Cl)cc(Br)c(F)c3Br)C[C@H]12 2337085016 SNPDZUQWULCYLY-BVJGAWNJSA-N 477.393 5.865 50 10 JKGE C[C@@H](c1ccncc1F)[C@H](Br)c1ccc(I)c(Cl)c1 2344692099 JJEQWBULUCAQPD-RTHLEPHNSA-N 454.508 5.718 50 10 JKGE Cc1cc(Br)c([C@@H](Br)c2cc(F)c(F)cc2F)cc1Br 2361242699 PQKVNSWQMZSVJV-CQSZACIVSA-N 472.924 6.422 50 10 JKGE CCc1sc(Br)cc1[C@@H](Br)Cc1ccc(OC)cc1Br 2364261371 PHHBIYOAXBECBN-ZDUSSCGKSA-N 483.063 6.523 50 10 JKGE C[C@@H]1CCC[C@]12[C@@H](Br)C[C@@H]2OCc1ccc(Cl)cc1I 2365647724 MMJUIELRAVRCGT-GCUJQHFUSA-N 469.588 5.803 50 10 JKGE Cc1sc([C@@H](Br)CCc2cc(Cl)cc(Cl)c2)c(C)c1Br 2366901693 CBQJPLRPJASRIL-ZDUSSCGKSA-N 457.058 7.503 50 10 JKGE CC(C)(C)Oc1ccc([C@@H](Br)c2occc2Br)cc1Br 2381299320 KTFRENHAFYUTQF-CYBMUJFWSA-N 466.995 6.466 50 10 JKGE O=C(NNC(=O)c1ccc(Oc2ccc(C3SCCS3)cc2)o1)c1cccc(Cl)c1 1047567 VOSONXRQAJPYQG-UHFFFAOYSA-N 460.964 5.279 50 10 JKGE CCN(CC)c1ccc(/C=N/NC(=O)c2ccc(NC(=O)c3ccc(C(C)(C)C)cc3)cc2)c(O)c1 12491731 MUHWMUZMNMBDAY-NDZAJKAJSA-N 486.616 5.552 50 10 JKGE CCCOc1ccc(Br)cc1C(=O)NNC(=O)c1sc2ccccc2c1Cl 14652658 HNYOKJDVKINVBB-UHFFFAOYSA-N 467.772 5.181 50 10 JKGE Cc1ccc(CS/C(Nc2ccccc2Cl)=C(\C#N)S(=O)(=O)c2ccccc2)c(C)c1 20325220 HESBJHDAVGYAIB-WCWDXBQESA-N 469.031 6.469 50 10 JKGE COc1ccc(CC(=O)Oc2ccc(/C=C(/C#N)c3ccc(Cl)cc3)cc2OC)cc1OC 31902197 VZRDPQRFJTVQPX-NDENLUEZSA-N 463.917 5.578 50 10 JKGE COc1ccc(-c2csc(/C(C#N)=C\Nc3ccc4c(C(F)(F)F)cc(=O)oc4c3)n2)cc1OC 33907220 DEEXGKHQMSKHSS-KAMYIIQDSA-N 499.470 5.929 50 10 JKGE CC(C)(CCl)C(=O)N1CCC[C@H]1c1nc2cc(-c3ccccc3C(F)(F)F)ccc2o1 34908369 DNAVEBYEOBGZOY-SFHVURJKSA-N 450.888 6.442 50 10 JKGE CCOC(=O)c1ccc(-c2ccc(/C=C(\C#N)c3nc(-c4ccccc4)c(NC(C)=O)s3)o2)cc1 34982917 JCKNTLUTSVMLMU-RCCKNPSSSA-N 483.549 6.269 50 10 JKGE Cc1ccc(-c2ccc(/C=C(/C#N)C(=O)Nc3sc4c(c3C#N)CCCC4)o2)c([N+](=O)[O-])c1 35519027 VHRQCVJZLQAUBY-PTNGSMBKSA-N 458.499 5.521 50 10 JKGE CCCCOc1ccc(/C=C2/C(=O)N(Cc3ccccc3Cl)C(=O)C(C#N)=C2C)cc1OC 38608765 QJRBVEJGRHVJLX-DEDYPNTBSA-N 464.949 5.320 50 10 JKGE CCCOc1cccc(C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@@H]3c2cccc(Cl)c2)c1 38651235 SFTDFDDJHUZNON-XMMPIXPASA-N 460.917 5.566 50 10 JKGE CC(C)COc1ccc(C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@@H]3c2ccc(F)cc2)cc1 38652844 ZBBIRYHQVXQXNL-RUZDIDTESA-N 458.489 5.298 50 10 JKGE N#CC1=C(N)Oc2cc(OC(=O)c3cccc(Cl)c3)ccc2[C@@H]1c1ccc(Cl)cc1Cl 38655560 KFTMVBZYGDKOGS-NRFANRHFSA-N 471.727 6.084 50 10 JKGE CC(C)(C)c1ccc(OCC(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@H]3c2cccs2)cc1 38656513 WRGXKQZMVMYQDG-DEOSSOPVSA-N 460.555 5.248 50 10 JKGE N#CC1=C(N)Oc2cc(OC(=O)COc3ccccc3Cl)ccc2[C@@H]1c1cccc2ccccc12 38657790 KTNJCEATHSMZIJ-MHZLTWQESA-N 482.923 5.696 50 10 JKGE CCc1ccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4ccc(Cl)cc4Cl)ccc32)cc1 38677030 BJVUJVKUHDIQLB-HSZRJFAPSA-N 465.336 5.993 50 10 JKGE Cc1ccc(Oc2nc3ccccn3c(=O)c2/C=C(/C#N)C(=O)Nc2cccc(Cl)c2Cl)cc1 39858542 XZHXVYPODWQGCC-SSZFMOIBSA-N 491.334 5.648 50 10 JKGE Cc1ccccc1NC(=O)/C(C#N)=C\c1c(Oc2cccc(C)c2C)nc2c(C)cccn2c1=O 39858805 JRHLSHNMEBBHGD-QNGOZBTKSA-N 464.525 5.266 50 10 JKGE CCOc1cc(/C=C2/C(=O)N(C3CCCCC3)C(=O)C(C#N)=C2C)ccc1OCCC(C)C 40514629 YZBKHFYPGWTTPZ-PXLXIMEGSA-N 450.579 5.435 50 10 JKGE Cc1cccc(C(=O)N/N=C2\C(=O)N(Cc3ccccc3Cl)c3ccc(Br)cc32)c1 40840296 YRMHUJQVKYRYCF-QLYXXIJNSA-N 482.765 5.092 50 10 JKGE CCCCOc1ccc(/C=C(\C#N)C(=O)Oc2ccc(-c3ccccc3)cc2Br)cc1 40864734 RVUNDCORIKUSMS-CJLVFECKSA-N 476.370 6.808 50 10 JKGE CCCCCCOc1ccc(/C=N/NC(=O)COc2ccc(C)cc2Br)cc1OC 40911044 LVUMNOHGBWTYLB-MFKUBSTISA-N 477.399 5.254 50 10 JKGE CCOC(=O)/C(C#N)=C/c1cccc(OC(=O)CCCOc2ccc(CC)cc2Br)c1 40944703 JMPGGHZQPVNOKI-CPNJWEJPSA-N 486.362 5.246 50 10 JKGE CCc1nn(CC)c(COc2ccc(Br)cc2CBr)c1Br 91343089 MMXQCPQDXHDBAF-UHFFFAOYSA-N 481.026 5.464 50 10 JKGE C[C@H](CCCCl)[C@H]1CC[C@H]2[C@@H]3CC=C4C[C@@H](O[C@H]5CCCCO5)CC[C@]4(C)[C@H]3CC[C@@]21C 96031313 WALWKGORTHROKI-MGBIXZQRSA-N 463.146 8.132 50 10 JKGE in-vitro N#C/C(=C/c1ccc(COc2c(Cl)cc(Cl)cc2Cl)o1)S(=O)(=O)c1ccccc1 96504294 GVOYMBKSINMCJP-YVLHZVERSA-N 468.745 6.157 50 10 JKGE Brc1ccc(Br)c([C@@H](Br)c2cc3c(s2)CCCC3)c1 109844395 UXVCBWYWHXKMNQ-OAHLLOKOSA-N 465.048 6.636 50 10 JKGE CCOc1ccc(Br)cc1[C@@H](Br)Cc1cccc(Br)c1 109871736 CJGZIMGKQGFKET-HNNXBMFYSA-N 463.007 6.289 50 10 JKGE Fc1cc2nc(CCl)n(-c3ccc(Br)cc3Cl)c2cc1Br 158525920 CAJAZAHLWBMKFM-UHFFFAOYSA-N 452.936 6.082 50 10 JKGE Cc1cc([C@H](Br)c2cc(Br)ccc2Br)c(Cl)cc1F 161115906 HGDXYEPKIPRZDG-CQSZACIVSA-N 471.389 6.797 50 10 JKGE Cl[C@@H](c1ccccc1I)c1csc2c(Br)cccc12 163365129 QUBRGJURWUEZPX-AWEZNQCLSA-N 463.565 6.597 50 10 JKGE Cc1nn(C)c(Cl)c1CC(CBr)(CBr)c1cccc(Br)c1 167850907 PBTNSWSKJTVPLN-UHFFFAOYSA-N 499.472 5.415 50 10 JKGE CSc1ccc(Cl)cc1CC(=O)N/N=C\c1ccc(OC(C)C)c(Br)c1 169922769 SCYVEMPQHVPVTA-JJFYIABZSA-N 455.805 5.304 50 10 JKGE COc1ccc(C=NNC(=O)COc2cc(C(C)C)ccc2C)cc1CSc1ccccn1 252602700 FJMAGTHKARQRPJ-UHFFFAOYSA-N 463.603 5.343 50 10 JKGE C[C@@H]1CC[C@H](O[C@](C)(CI)c2ccccc2Br)C[C@H]1C 253139321 VXSUZUFVUJUHHI-VWPFQQQWSA-N 451.186 5.941 50 10 JKGE Cc1cccc(NC(=O)c2ccccc2NC(=O)C(=O)NN=Cc2cccc(Oc3ccccc3)c2)c1 254765459 AOAYOMMXTRTGRN-UHFFFAOYSA-N 492.535 5.128 50 10 JKGE C(/C=C\c1ccccc1)=Nc1ccc(SSc2ccc(N=C/C=C/c3ccccc3)cc2)cc1 254792617 UTZIQCCOURHJMP-WBHGFLBWSA-N 476.670 9.317 50 10 JKGE CC(=NNC(=O)CNc1cccc(C(F)(F)F)c1)c1ccc2c(c1)Nc1ccccc1S2 254877584 VWSKNFHNWGWQDB-UHFFFAOYSA-N 456.493 5.866 50 10 JKGE CCCCCCCCCCCCCCCCCC(=O)NN=Cc1cc(OC)c(OC)c(OC)c1 263625830 QWEVQRKMHIWJTG-UHFFFAOYSA-N 476.702 7.424 50 10 JKGE CC(C)(C)[Si](C)(C)OCCc1ccccc1[C@@H]1CCN(Cc2ccccc2)c2ccccc21 616675711 PAUZQMACRLBKIF-MHZLTWQESA-N 457.734 7.793 50 10 JKGE CC1(C)C[C@H](NC(=O)c2cc(Cl)ccc2I)C[C@H](Br)C1 693900047 XXEIDBPXJMCEBS-GXSJLCMTSA-N 470.576 5.017 50 10 JKGE CCOc1ccc([C@@H](Br)c2cn(CC)c(Br)n2)c(Br)c1 698388453 CKDOAXAKTDYMRL-CYBMUJFWSA-N 466.999 5.311 50 10 JKGE CC1(C)C[C@H]([C@@H](Br)c2cc(Br)ccc2Br)C(C)(C)O1 710053077 KUYPFQVUHVJCLP-YPMHNXCESA-N 455.028 6.241 50 10 JKGE COc1ccc(Oc2ccc(Br)cc2CCl)cc1I 712920606 VPKUZQCGDLCYLF-UHFFFAOYSA-N 453.501 5.593 50 10 JKGE O=C(NC1(CBr)CCCCCCC1)c1scc(Br)c1Br 713463334 GQVFTPWJPWJAQX-UHFFFAOYSA-N 488.083 5.881 50 10 JKGE BrCC(CBr)(C[C@@H]1CCCS1)c1ccccc1Br 715881508 DHKAWQCKAHRBLZ-NSHDSACASA-N 457.069 5.762 50 10 JKGE C[C@H]1Cc2cc(Br)cc([C@H](Br)c3sccc3Br)c2O1 720032900 MSQJAUGQIHLOJQ-MADCSZMMSA-N 467.020 6.081 50 10 JKGE COc1cc(C=NNC(=O)c2ccc(Cl)c(Cl)c2)ccc1OCc1cccc(C(=O)O)c1 1084153357 NXUHZXKEZYKEFJ-UHFFFAOYSA-N 473.312 5.043 50 10 JKGE N#C/C(=C/c1cc(Br)ccc1OCc1ccccc1Cl)C(=O)Nc1ccccc1 1084153599 ASNVXJIKVYPUIH-PDGQHHTCSA-N 467.750 6.227 50 10 JKGE COc1ccc(/C=C(/C#N)C(=O)Nc2ccc(Cl)cc2)cc1OCc1ccc(Br)cc1 1084425090 CCKNDZMRHLJJMY-PDGQHHTCSA-N 497.776 6.236 50 10 JKGE Cc1c(/C=C(\C#N)C(=O)N2CCN(c3ccccc3)CC2)c2ccccc2n1Cc1ccccc1F 1084437619 IVVOYJJHUYZAJB-LYBHJNIJSA-N 478.571 5.393 50 10 JKGE CCCCc1ccc(NC(=O)COc2cccnc2NC(=O)Oc2ccc([N+](=O)[O-])cc2F)cc1 1858681424 FBTYWQRJGJMUCR-UHFFFAOYSA-N 482.468 5.100 50 10 JKGE COc1ccc(-c2nn(-c3ccc(C)cc3)c3c2[C@@H](c2ccccc2F)C(C#N)=C(N)O3)cc1 1865683957 RGLRKUQKZFJTDE-QHCPKHFHSA-N 452.489 5.214 50 10 JKGE Cc1ccc(C)c(Cn2nc(C)c3c2OC(N)=C(C#N)[C@@H]3c2ccc(OCc3ccccc3)cc2)c1 1865690133 JJSXKMCOYYRLPK-NDEPHWFRSA-N 476.580 5.654 50 10 JKGE CCCCOc1ccc([C@H]2C(C#N)=C(N)Oc3c2c(CCC)nn3-c2ccc(Cl)cc2)cc1 1865693287 UEWJBVDSTUUDAZ-QHCPKHFHSA-N 462.981 5.875 50 10 JKGE CCCCCCOc1ccc([C@H]2C(C#N)=C(N)Oc3c2c(C(F)(F)F)nn3CC(C)C)cc1OC 1865697048 VLNBAGXPWQFIOE-FQEVSTJZSA-N 492.542 5.744 50 10 JKGE N#CC1=C(N)Oc2c(c(-c3ccccc3)nn2-c2cccc(Cl)c2)[C@H]1c1ccc(F)cc1F 1865702110 MWRUAVNGBOBIAJ-NRFANRHFSA-N 460.871 5.689 50 10 JKGE CCCc1nn(Cc2ccccc2Cl)c2c1[C@@H](c1ccc(N(CC)CC)cc1)C(C#N)=C(N)O2 1865702272 REAGYTUJJKMMBI-DEOSSOPVSA-N 476.024 5.602 50 10 JKGE CCCOc1ccccc1[C@@H]1C(C#N)=C(N)Oc2c1c(-c1ccccc1)nn2-c1cccc2ccccc12 1865702766 DXKRGHSVQIXWSA-MUUNZHRXSA-N 498.586 6.699 50 10 JKGE Cc1ccc(C)c(Cn2nc(-c3ccccc3)c3c2OC(N)=C(C#N)[C@@H]3c2cccc([N+](=O)[O-])c2)c1 1865705758 DZIWJIIXUPQWOZ-DEOSSOPVSA-N 477.524 5.342 50 10 JKGE CCCc1nn(-c2cccc3ccccc23)c2c1[C@@H](c1ccc(Br)cc1)C(C#N)=C(N)O2 1865714791 QIIIEAUXDHETKD-QHCPKHFHSA-N 485.385 5.959 50 10 JKGE CCOc1ccc(-c2csc(/C(C#N)=C(\O)[C@H]([C@@H](C)CC)N3C(=O)c4ccccc4C3=O)n2)cc1 1872747552 IEWKNCSPNGVSNK-RRCCURSSSA-N 487.581 5.712 50 10 JKGE CC(C)(C)c1ccc(C(=O)NC/C(O)=C(\C#N)c2nc(-c3ccc(Cl)c(Cl)c3)cs2)cc1 1872748851 PXANWAUFKKYSRE-FXBPSFAMSA-N 486.424 6.637 50 10 JKGE N#C/C(=C(/O)CNC(=O)c1ccc(Cl)cc1)c1nc(-c2ccc(Oc3ccccc3)cc2)cs1 1872753631 GUEAJFASXRCORR-GYHWCHFESA-N 487.968 6.478 50 10 JKGE COc1c(C)cc(Cl)cc1-c1csc(/C(C#N)=C(\O)COc2ccc(Cl)cc2Cl)n1 1872757090 QAOGFCLVYPATLP-SDXDJHTJSA-N 481.788 6.959 50 10 JKGE CCOc1c(Br)cc(/C=C(\C#N)c2nc(-c3ccc(CC)cc3)cs2)cc1OC 1872781950 YKZVYEOPWBONNQ-VCHYOVAHSA-N 469.404 6.606 50 10 JKGE CCCCCCCOc1ccc(-c2csc(/C(C#N)=C/c3ccc(C(C)(C)C)cc3)n2)cc1 1872791782 RRWCFEYZBDEJKK-LYBHJNIJSA-N 458.671 8.521 50 10 JKGE C[C@H]([C@@H](Br)c1cc(Br)ccc1OCc1ccccc1)C(F)(F)F 1899854024 ZKIOASJWOKITGJ-BDJLRTHQSA-N 452.108 6.663 50 10 JKGE O=C(c1cccc(Br)c1Cl)N(Cc1ccccc1)[C@H](CBr)C1CC1 1915312521 KTZVBAMYVYPCHB-QGZVFWFLSA-N 471.620 5.918 50 10 JKGE O=C(c1ccc(Br)c(Cl)c1)N(Cc1ccccc1)[C@H](CBr)C1CC1 1915315994 ZTQRLAYZLIIFRZ-GOSISDBHSA-N 471.620 5.918 50 10 JKGE CN(C[C@H](Cl)COCc1ccccc1)C(=O)c1cc(Br)ccc1Br 1916352913 CLMFMHCIRQEPKD-HNNXBMFYSA-N 475.608 5.108 50 10 JKGE Cc1c(Br)sc([C@H](Br)c2cc3cscc3s2)c1Br 1922907486 UVXAJYTWHSEPKP-SNVBAGLBSA-N 487.101 7.342 50 10 JKGE Brc1cc(Br)c([C@@H](Br)c2csc3ccccc23)s1 1922945071 CFIHMJCDYOXRAT-LBPRGKRZSA-N 467.045 6.972 50 10 JKGE Brc1cc(Br)c([C@H](Br)[C@@H]2COc3ccccc3O2)s1 1922953493 DNUTZZDEKWFBEJ-CMPLNLGQSA-N 468.992 5.549 50 10 JKGE Cc1ccc(C[C@@H](Br)c2c(Br)sc(Br)c2Cl)cc1 1923037751 FNZSZRBCEIQMCN-SECBINFHSA-N 473.455 6.914 50 10 JKGE Cc1ccc([C@H](Cl)c2c(Br)sc(Br)c2Cl)cc1Br 1923040852 XFUYPUWGTKTXDW-VIFPVBQESA-N 493.873 7.326 50 10 JKGE Cc1cccc([C@@H](Br)[C@H](C)c2ccncc2Br)c1I 1924038184 DTMJXKQMDMLOTO-YGRLFVJLSA-N 494.996 5.997 50 10 JKGE ClC[C@@H](C1CC1)N(Cc1ccccc1)Cc1ccc(I)c(Cl)c1 1995479115 MASYBVKHCQVFKV-IBGZPJMESA-N 460.186 5.964 50 10 JKGE Cc1cnc(C(=O)N(Cc2ccccc2)[C@H](CBr)C(C)C)c(Br)c1 2022058965 SXFYOESYVWEABJ-QGZVFWFLSA-N 454.206 5.214 50 10 JKGE Cc1cc(Br)c([C@H](Br)[C@H]2C[C@@H]2C(F)(F)F)cc1Br 2039184639 DVRQAVNLMLZGTA-GEOGLEFRSA-N 450.918 6.154 50 10 JKGE Cc1c(Br)sc([C@@H](Br)C[C@@H]2COC(C)(C)C2)c1Br 2041482486 LLWWECTWFNLUEE-IUCAKERBSA-N 461.057 6.223 50 10 JKGE Cc1c(Br)sc([C@H](Br)[C@@H]2[C@H]3CCCCC[C@H]32)c1Br 2048336293 DWBGHWQGZBIOFY-FYLLDIAZSA-N 457.069 6.844 50 10 JKGE Clc1c(Br)sc(Br)c1[C@H](Br)C[C@@H]1CCC[C@H]2C[C@@H]12 2057346705 QHOOUJRHJDCATI-RBXMUDONSA-N 477.487 7.189 50 10 JKGE Fc1cc(Br)c([C@H](Cl)c2sccc2I)c(F)c1Cl 2081842717 DZJPDUPCMODPCP-VIFPVBQESA-N 483.930 6.375 50 10 JKGE Cc1cc([C@@H](Cl)c2c(Cl)sc(Cl)c2Cl)ccc1I 2086024162 ROVDFLJYISYAER-SECBINFHSA-N 451.971 6.950 50 10 JKGE CN(c1c(CCl)ccc(Br)c1Cl)[C@H]1CC(C)(C)[C@@H]1OCc1ccccc1 2100212343 YZBNYHJENZOQJM-FXAWDEMLSA-N 457.239 6.661 50 10 JKGE BrC[C@@H]1C[C@H]2CCC[C@@H]2N1Cc1cccc(Br)c1Br 2108391989 ODZOZLYDNFRVQG-OSMZGAPFSA-N 452.028 5.350 50 10 JKGE C[C@H](c1ccncc1Br)[C@H](Br)c1cc(I)ccc1F 2113349772 XHNUCDYXZOBREU-CLAHSXSESA-N 498.959 5.828 50 10 JKGE BrCc1cc(Br)cc(Br)c1OCCCOCC1CC1 2128290937 APPMTIBJRVKHRM-UHFFFAOYSA-N 457.000 5.302 50 10 JKGE CC12CCC([C@@H](Br)c3ccc(Br)cc3Br)(CC1)CO2 2138869949 FAJGRXSEABYIEG-NFOMZHRRSA-N 453.012 5.997 50 10 JKGE Cc1cc(F)c([C@@H](Br)c2ccc(Br)cc2I)cc1C 2142292241 RZHDWZKDQIGALI-HNNXBMFYSA-N 497.971 6.294 50 10 JKGE Brc1cccc(Br)c1C[C@@H]1CCc2ccccc2[C@@H]1Br 2150493670 MINCYGUGENGFNJ-YVEFUNNKSA-N 459.019 6.453 50 10 JKGE Clc1csc([C@@H](Br)c2cc(Br)c3c(c2)CCCO3)c1Cl 2152527460 FOJKQNUIIHFDDS-NSHDSACASA-N 457.014 6.627 50 10 JKGE ClCc1ccc(Br)c(Cl)c1N1CC[C@H]2[C@H](CCCN2Cc2ccccc2)C1 2154366639 YWZVYCBTGFNXCA-QUCCMNQESA-N 468.266 6.332 50 10 JKGE C[C@@]12CN(Cc3ccccc3)C[C@@]1(C)CN(c1c(CCl)ccc(Br)c1Cl)C2 2154374681 ZCJRKGDYJQSXBO-VXKWHMMOSA-N 468.266 6.190 50 10 JKGE COCc1cc(Br)c([C@@H](Br)c2cc3sc(C)cc3s2)s1 2156534015 UWZCNUVHPRHMGH-ZDUSSCGKSA-N 452.258 6.726 50 10 JKGE CC1(C)CCC[C@@](CBr)(Cc2cc(Cl)ccc2I)CC1 2157069029 MUOKKYFBIAJBKQ-KRWDZBQOSA-N 469.632 6.859 50 10 JKGE CC(C)(C)[C@@]1(CBr)CCN(Cc2cccc(Br)c2Br)C1 2160932524 ZJCORXCKOOBWCN-MRXNPFEDSA-N 468.071 5.845 50 10 JKGE C[C@]1(C(F)(F)F)C[C@@H]1[C@H](Br)c1cc(I)cc2c1OCC2 2161821789 JZZRFJMLQUXVBO-WZRBSPASSA-N 461.059 5.251 50 10 JKGE CN(C[C@@H](Br)C1CCCC1)C(=O)c1cc(Br)cc(Br)c1 2167646729 MVDAUTGRYFWOEO-CQSZACIVSA-N 468.027 5.237 50 10 JKGE C[C@@H](Cl)c1nc2cc(Cl)c(Br)cc2n1-c1cscc1Br 2169014677 AWYUOPKZKWMYCZ-ZCFIWIBFSA-N 455.002 6.565 50 10 JKGE Cc1cc(Br)c(CBr)c(N2CC[C@H]3CCN(Cc4ccccc4)C[C@H]3C2)c1 2173449776 LRQKWJYFVZFUHJ-UXHICEINSA-N 492.299 6.001 50 10 JKGE COc1ccc(CBr)cc1S(=O)(=O)N(Cc1ccccc1)Cc1cccs1 2179854106 QAQNMLIDRDEBIN-UHFFFAOYSA-N 466.422 5.043 50 10 JKGE O=S(=O)(c1ccc(F)c(CBr)c1F)N(CCC(F)(F)F)Cc1ccccc1 2179860223 ORLIUZAQVSWBGK-UHFFFAOYSA-N 472.273 5.003 50 10 JKGE CO[C@]1(C(F)(F)F)C[C@H]([C@@H](Cl)c2c(Br)sc(Br)c2Cl)C1 2182022108 OERRDNVAQCMGBI-SVNSUYFQSA-N 476.967 6.564 50 10 JKGE Cc1c([C@H](Cl)c2scc(C(F)(F)F)c2Br)c(Br)nn1C 2188144572 NFZHQOYYLREYEJ-QMMMGPOBSA-N 452.521 5.662 50 10 JKGE Cc1cc(Br)c(C)c([C@H](Br)C2(CC3CCC3)CC2)c1Br 2201071404 FGRAKAAEARPYOL-INIZCTEOSA-N 465.067 7.235 50 10 JKGE COc1c(Cl)cc(Br)cc1[C@H](Br)c1ccc(Br)cc1F 2203003287 MELLFNJLBIGOCD-CYBMUJFWSA-N 487.388 6.497 50 10 JKGE Fc1ccc(Br)c(CO[C@@H](CBr)c2cccc(Br)c2)c1 2206275350 KBRDMUGOATVPBK-HNNXBMFYSA-N 466.970 6.004 50 10 JKGE CC[C@@H]1[C@@H](Br)CC[C@H]1c1sc(Br)c(Br)c1Br 2212290340 XJEOUXOVOGDBFO-XVMARJQXSA-N 495.900 6.703 50 10 JKGE Cc1c(Br)sc([C@@H](Cl)c2ccc(F)cc2I)c1C 2218787395 JKYWPQQNGNLSOG-NSHDSACASA-N 459.549 6.199 50 10 JKGE Cc1ccc([C@H](Cl)c2ccc(F)c(Br)c2F)cc1I 2224630177 SGGWZSSRFCKICH-ZDUSSCGKSA-N 457.483 5.969 50 10 JKGE O=C(c1csc(Br)c1Br)N1CC[C@@H]2[C@@H](Br)CCC[C@@H]2C1 2233741819 CMXHQFWSOBRJLG-YWVKMMECSA-N 486.067 5.299 50 10 JKGE CO[C@@H]1C[C@H]([C@H](Br)c2cc(Br)c(Br)cc2F)C12CCC2 2233975660 LJVZLVVSNSLLSO-OWYVNGRQSA-N 471.002 5.992 50 10 JKGE Cc1cc(Br)c([C@@H](Br)CC(C2CC2)C2CC2)c(C)c1Br 2235610463 QRSLVIKPIWZDLF-HNNXBMFYSA-N 465.067 7.091 50 10 JKGE Clc1cc(Br)cc([C@H](Br)c2ccc3c(c2Br)CCO3)c1 2238081553 GWOUIMKKUACSTN-AWEZNQCLSA-N 481.409 6.284 50 10 JKGE C[C@](CI)(O[C@@H]1CC[C@@H]2[C@@H]1C2(F)F)c1ccccc1Br 2238675253 JULYOXXQHFJABL-RUZUBIRVSA-N 457.096 5.160 50 10 JKGE O=C(c1cc(F)c(Br)cc1F)N(Cc1ccccc1)C1(CBr)CCC1 2255688098 QNCDQDJLOUCIOX-UHFFFAOYSA-N 473.155 5.687 50 10 JKGE CCc1cc([C@H](Br)c2ccc(OC)c(Br)c2)sc1Br 2267766037 QTMSTDUWNGCPJW-CYBMUJFWSA-N 469.036 6.328 50 10 JKGE Cc1cc([C@H](Br)c2ccc(Cl)c(I)c2)c(C)cc1Cl 2268276605 ILGGAMNCTIHTKC-OAHLLOKOSA-N 469.975 6.699 50 10 JKGE COC[C@]1(C)C[C@H]1[C@@H](Br)c1c(Br)cc(C)c(Br)c1C 2269279989 LZDHXGVJXBDJEX-VQISRLSMSA-N 455.028 5.937 50 10 JKGE Fc1cc(Br)c(F)c(Br)c1[C@H](Br)[C@@H]1C[C@@]12CC2(F)F 2272728985 ZCYVGBGYFCSEKJ-NGYZFDSUSA-N 466.892 5.971 50 10 JKGE Fc1cc(Br)c(F)c(Br)c1[C@H](Br)[C@@H]1[C@H]2C[C@@H]3[C@H]1[C@@H]3C2 2272848336 UZOWMMGMHSMECR-YCTIGEMHSA-N 456.950 5.828 50 10 JKGE CCn1ncc(Br)c1[C@H](Cl)Cc1cc(Br)cc(Br)c1 2277949770 QIBMSECTZLGBQK-GFCCVEGCSA-N 471.418 5.713 50 10 JKGE COc1c(Br)cc(Cl)c(C)c1[C@H](Br)c1sncc1Br 2277980435 HSELQBJKGODUNL-JTQLQIEISA-N 490.442 6.123 50 10 JKGE Cc1c(Br)cccc1CO[C@@H](CBr)c1cccc(Br)c1 2283651568 JDJUOUIKXMCWBB-INIZCTEOSA-N 463.007 6.173 50 10 JKGE COc1ccc([C@@H](Br)Cc2ccc(F)cc2F)cc1I 2284996951 DBUBCUVRJNBJAG-LBPRGKRZSA-N 453.064 5.257 50 10 JKGE COc1ccc([C@H](Br)C2CC(OC(C)(C)C)C2)cc1I 2284999723 RINQXODOGOGKIP-QOZQQMKHSA-N 453.158 5.330 50 10 JKGE COc1ccc([C@H](Br)C[C@@H](C(F)F)C(C)(C)C)cc1I 2285010233 QMWXOJWUFUCION-WDEREUQCSA-N 461.128 6.053 50 10 JKGE CCc1ccccc1[C@H](Br)c1c(F)cc(Br)c(F)c1Br 2288492077 BCMQSCKSAJZPOV-ZDUSSCGKSA-N 468.961 6.537 50 10 JKGE N#CC(=Cc1c(OCc2ccc(Br)cc2)ccc2ccccc12)C(=O)NCc1ccccc1 2293488682 OUDRDTLEIJGZPR-UHFFFAOYSA-N 497.392 6.405 50 10 JKGE COc1ccc([N+](=O)[O-])cc1-n1c(C)cc(C=C(C#N)C(=O)Nc2cccc(Cl)c2Cl)c1C 2294155904 ADXJZWUOHPAVJV-UHFFFAOYSA-N 485.327 5.863 50 10 JKGE CCOc1cc(C=C(C#N)C(=O)NCCc2c[nH]c3ccccc23)cc(Cl)c1O[C@@H](C)CC 2294172051 XFJQSGPERKBQBV-KRWDZBQOSA-N 465.981 5.663 50 10 JKGE COc1c(Br)cc(Cl)c(C)c1[C@@H](Br)c1cc(C)c(Cl)s1 2295267454 MPKMRAGXEKYWAQ-LBPRGKRZSA-N 459.030 6.927 50 10 JKGE FC1(F)CC[C@@H]1C[C@H](Br)c1cc(Br)ccc1OCc1ccccc1 2299530529 MVWDEGXMPHJXJM-PBHICJAKSA-N 460.156 6.900 50 10 JKGE CCOc1cc(C=C(C#N)C(=O)Nc2ccc(C)cc2)cc(Cl)c1OCc1ccc(F)cc1 2313541159 XUUNEMBBPOMGHD-UHFFFAOYSA-N 464.924 6.311 50 10 JKGE C=CCc1cc(C=C(C#N)C(=O)Nc2cccc(Cl)c2Cl)cc(Br)c1O 2313570887 IOLMTCPQEQOWAE-UHFFFAOYSA-N 452.135 5.736 50 10 JKGE N#CC(=Cc1ccc(OCc2c(Cl)cccc2Cl)cc1)C(=O)Nc1ccc(Cl)cc1 2313630560 BRNMNSHXTAHCJQ-UHFFFAOYSA-N 457.744 6.771 50 10 JKGE FC(F)([C@@H](Br)c1ccc(OCc2ccccc2)cc1Br)[C@@H]1CCOC1 2314443878 JAKYXNZMFILDHB-KDOFPFPSSA-N 476.155 6.136 50 10 JKGE Cc1cccc(Br)c1[C@@H](Cl)c1cc(Br)ccc1OCc1ccccc1 2314449921 UOKRBYLWUMNQPG-NRFANRHFSA-N 480.627 7.427 50 10 JKGE Brc1ccc(OCc2ccccc2)c([C@@H](Br)C2CC3(CCOC3)C2)c1 2314501563 ZCUFYQWLAMEBFP-WJAMPBCPSA-N 466.213 6.281 50 10 JKGE CCc1ccc(N2C(=O)[C@@H](Cc3ccccc3C)SC2=C(C#N)C(=O)Nc2ccccc2C)cc1 2314592327 QZXRRBPZQDFUEU-AREMUKBSSA-N 481.621 5.931 50 10 JKGE COc1cc(C=C2C(=O)c3ccccc3C2=O)ccc1OC(=O)C(C#N)=Cc1ccc(Cl)cc1 2314716709 HYGBIYYXPNKMFU-UHFFFAOYSA-N 469.880 5.324 50 10 JKGE Clc1cc(I)c([C@@H](Br)C2CC3(C2)CC32CCC2)s1 2316769839 CSRWTONVRDICMM-PGMTZQPISA-N 457.602 6.413 50 10 JKGE C[C@H]1CCC[C@@](CI)(OCc2cccc(I)c2)C1 2319032516 XXJJWPCXBQEEOZ-SWLSCSKDSA-N 470.132 5.192 50 10 JKGE Cc1scc([C@@H](Br)c2cc3sc(Br)cc3s2)c1Br 2320489123 AXHQWFKXTDDVQV-GFCCVEGCSA-N 487.101 7.342 50 10 JKGE C[C@@H](c1ccncc1F)[C@@H](Br)c1cc(Br)c(Br)s1 2321453337 SGTYZBLUANGYNZ-UPONEAKYSA-N 457.988 6.047 50 10 JKGE COc1cc(C=NNC(=O)c2ccc3[nH]c4c(c3c2)CCCC4)ccc1OCc1ccccc1Cl 2321672318 LAWYPBCYNCCURW-UHFFFAOYSA-N 487.987 6.052 50 10 JKGE N#CC(=C(O)CCCOc1ccc2ccccc2c1)c1nc(-c2cccc(Br)c2)cs1 2331279004 XWNYIYFXDKPKHN-UHFFFAOYSA-N 491.410 7.378 50 10 JKGE N#CC(=C(O)c1cc2ccccc2oc1=O)c1nc(-c2ccc(Oc3ccccc3)cc2)cs1 2331358986 MVSDAAMIXHTJKJ-UHFFFAOYSA-N 464.502 6.659 50 10 JKGE N#CC(=Cc1cc(Br)ccc1F)c1nc(-c2cccc(Br)c2)cs1 2331431995 JTXWLNKNPNBSDX-UHFFFAOYSA-N 464.157 6.538 50 10 JKGE COc1cc(C=C(C#N)c2nc(-c3cc(C)ccc3C)cs2)ccc1OC(=O)c1ccccc1 2331445711 DRTSMSIGEXUFCF-UHFFFAOYSA-N 466.562 6.719 50 10 JKGE CCCCCOc1ccc(C=C(C#N)c2nc(-c3cc(C(C)C)c(OC)cc3C)cs2)cc1OC 2331463628 WFOGYKNRHSMVNH-UHFFFAOYSA-N 490.669 7.892 50 10 JKGE CC(C=O)=CCC[C@H](C)[C@@H]1CC[C@]2(C)[C@@H]3CC[C@H]([C@](C)(O)CO)[C@]4(CCC(=O)O)C[C@@]34CC[C@@]12C 2333304003 XDQDTZXKPKVGKT-NBDHDECSSA-N 488.709 5.775 50 10 JKGE C[C@@H]1C[C@H](C[C@H](Br)c2c(Cl)cc(Br)c(F)c2Br)CO1 2337094339 NZVIYFQMZQBACL-PRJMDXOYSA-N 479.409 6.255 50 10 JKGE CC[C@@H](CC(C)C)[C@@H](Br)c1c(Cl)cc(Br)c(F)c1Br 2337094903 UJSVUIAINIQSTO-QPUJVOFHSA-N 479.453 7.512 50 10 JKGE CCCc1sc(Br)cc1[C@H](Br)c1sc(C)c(C)c1Br 2338016450 AUQQNGAXMGIVNE-ZDUSSCGKSA-N 487.120 7.388 50 10 JKGE CCN(C[C@@](C)(CI)OCc1ccc(F)c(C)c1Cl)C(=O)OC(C)(C)C 2339303672 VPBLEKHIZQRUOV-LJQANCHMSA-N 499.792 5.755 50 10 JKGE Clc1ccc(CN2CC3(CCC(Br)CC3)C2)c(I)c1 2341009631 AUXOYEWKXLDTQH-UHFFFAOYSA-N 454.577 5.084 50 10 JKGE Cc1cccc([C@H](CI)OCc2cccc(I)c2)c1 2341612671 VHDXSBDKKUVGBW-INIZCTEOSA-N 478.111 5.293 50 10 JKGE COc1cc(C[C@@H](CBr)c2ccc(Br)cc2)c(Br)cn1 2362180438 RHXQUUAJSQAMEN-LBPRGKRZSA-N 463.995 5.336 50 10 JKGE CCCC(CCC)[C@H](Br)c1c(C)cc(Br)c(OC)c1Br 2365187948 GBOVQTWZDVQIBD-AWEZNQCLSA-N 471.071 7.181 50 10 JKGE COc1c(Br)cc(C)c([C@H](Br)CC2CC(F)(F)C2)c1Br 2365216056 QKFHNRSVQHUDMN-SECBINFHSA-N 476.981 6.400 50 10 JKGE Cc1cc(Br)c(F)c(Br)c1[C@H](Cl)c1cc(Br)ccc1F 2365224352 XJMVQPUHQBRWQY-CYBMUJFWSA-N 489.379 6.889 50 10 JKGE COc1c(C)cc(Br)cc1[C@@H](Cl)c1ccc(Cl)cc1I 2365598015 MTJBTUAMAXXTGJ-AWEZNQCLSA-N 485.974 6.352 50 10 JKGE COc1c(CBr)cccc1OCc1cc(Cl)ccc1I 2367365632 IGVTXGVTHNXIMM-UHFFFAOYSA-N 467.528 5.427 50 10 JKGE FC(F)(F)[C@H]1[C@H](Br)CCCN1Cc1cc(Cl)ccc1I 2370283666 FDQJBEJAGUFSSA-ZYHUDNBSSA-N 482.509 5.235 50 10 JKGE COc1ncc(Br)c(C)c1C[C@@H](Br)c1ccccc1Br 2370560571 HUPYRONMOPJLCW-CYBMUJFWSA-N 463.995 5.602 50 10 JKGE CC1(C)CC(CBr)(CN2CCC[C@]2(CNC(=O)OC(C)(C)C)C(F)(F)F)C1 2371149417 UNVGUDVZYLIQOW-SFHVURJKSA-N 457.375 5.109 50 10 JKGE Clc1ccc(I)cc1CN1CC[C@@H]2CC[C@@H](Br)C[C@@H]2C1 2380531889 VTXZZRVQCVZBPM-OUCADQQQSA-N 468.604 5.330 50 10 JKGE Cc1ccc(CBr)c(OCc2cc(Cl)cc(Br)c2)c1Br 2381128696 YLNXDTJQJNAUEN-UHFFFAOYSA-N 483.425 6.647 50 10 JKGE CCc1ccc(NC(=O)C(C#N)=C(SCc2ccccc2C)SCc2ccccc2C)cc1 3059047 VFQPGSFPBVCASU-UHFFFAOYSA-N 472.679 7.406 50 10 JKGE CCc1ccc([C@@H]2C(C#N)=C(N)N(c3ccccc3C(F)(F)F)C3=C2C(=O)CC(C)(C)C3)s1 6284090 RVWKRASHAPRZLN-NRFANRHFSA-N 471.548 6.270 50 10 JKGE CCn1c2ccccc2c2cc(/C=N/NC(=O)CCC(=O)Nc3ccc(Cl)cc3Cl)ccc21 12580948 VBWGGCXTLWLPRY-RWPZCVJISA-N 481.383 5.990 50 10 JKGE CCCCCCOc1ccccc1C(=O)NNC(=O)COc1ccc2ccccc2c1Br 14032649 VFDXLBQUPSSSKG-UHFFFAOYSA-N 499.405 5.401 50 10 JKGE Cc1ccccc1NC(=O)/C(C#N)=C\c1ccc(N2N=C(c3ccccc3)C[C@H]2c2ccccc2)cc1 29492312 HPGFCBUJMNKRFB-HFROPGRFSA-N 482.587 6.896 50 10 JKGE N#C/C(=C\c1ccc(N2N=C(c3ccccc3)C[C@@H]2c2ccccc2)cc1)c1n[nH]c(N)c1C#N 33568791 GILSZWQPYHYMGD-MTIYOZEWSA-N 455.525 5.283 50 10 JKGE CCOc1ccc(-c2nn(-c3ccccc3)cc2/C=C(/C#N)c2nc(O)c3ccccc3n2)c(C)c1 34988456 XMXZWPMYDDITMJ-SILNSSARSA-N 473.536 5.959 50 10 JKGE CCCn1c(-c2ccc(C(=O)NNC(=O)c3ccc(Br)cc3)s2)nc2ccccc21 35554220 CEHSOPGIJUNGCJ-UHFFFAOYSA-N 483.391 5.012 50 10 JKGE COc1ccc2c(c1)/C(=N\NC(=O)CCCOc1ccc(Cl)cc1Cl)C(=O)N2CCC(C)C 38180398 KGKSORVWQLOZGK-WEMUOSSPSA-N 492.403 5.074 50 10 JKGE CSc1ccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)COc4cccc(Cl)c4)ccc32)cc1 38682624 VEMJZVKEEIRHIJ-DEOSSOPVSA-N 478.957 5.264 50 10 JKGE CCOc1ccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)[C@H](C)Oc4ccc(C(C)C)cc4)ccc32)cc1 38685938 SLRPGMOGXGPFLV-VKGTZQKMSA-N 498.579 5.800 50 10 JKGE N#C/C(=C\c1ccc(-c2c(Cl)cccc2Cl)o1)C(=O)Nc1cc(C(F)(F)F)ccc1Cl 39884851 VHIZLVASSIYTNU-DHZHZOJOSA-N 485.676 7.471 50 10 JKGE COC(=O)c1c(NC(=O)/C(C#N)=C/c2ccc(C(C)C)cc2)sc(C)c1-c1cccc(Cl)c1 41013185 BTOQKYDJJGPHQW-UDWIEESQSA-N 479.001 6.833 50 10 JKGE C[C@H](NC(=O)/C(C#N)=C/c1cc(Br)ccc1OCc1ccccc1)c1ccccc1 59224492 QYFFXKQMFXBLDP-OVBDPADQSA-N 461.359 5.812 50 10 JKGE N#C/C(=C/c1ccc(OCc2ccccc2C#N)c(Br)c1)C(=O)NCc1ccccc1 59437439 DYCPSWGSISALCL-UUYOSTAYSA-N 472.342 5.123 50 10 JKGE Fc1cc(Br)c(Cl)cc1[C@@H](Br)c1c(F)cccc1Br 97896003 BJYWERJCKRABSJ-CYBMUJFWSA-N 475.352 6.628 50 10 JKGE CCCOc1ccc(-c2nn(-c3ccccc3)cc2/C=C2/C(=O)N(CCC)C(=O)C(C#N)=C2C)cc1 101332786 CPGQEUKXVUXNNA-KOEQRZSOSA-N 480.568 5.330 50 10 JKGE COc1cc(/C=C2/C(=O)N(C3CCCCC3)C(=O)C(C#N)=C2C)ccc1OCc1ccc(Cl)cc1 101339111 QLRNAGZAGZXIOR-OEAKJJBVSA-N 490.987 5.853 50 10 JKGE CCOC(=O)c1c(N/C=C(\C#N)c2nc(-c3ccc(C4CCCCC4)cc3)cs2)sc(C)c1C 102924762 DLVAAQLDXCILSY-PXLXIMEGSA-N 491.682 7.689 50 10 JKGE CCc1cccc(C)c1N/C(SCc1ccc(F)cc1)=C(\C#N)S(=O)(=O)c1ccccc1 104689352 DAYCJCPSQGNDLK-BZZOAKBMSA-N 466.603 6.208 50 10 JKGE CCOc1cc(Br)c([C@H](Br)c2ccc(Br)s2)cc1OCC 109864860 YKNPLMSWNHULFP-HNNXBMFYSA-N 499.062 6.555 50 10 JKGE BrCc1ccc(OCCOc2ccc(Br)cc2)c(Br)c1 110379487 KSOFVBOBSKEAEF-UHFFFAOYSA-N 464.979 5.564 50 10 JKGE FC(F)(F)c1cc([C@@H](Br)Cc2ccc(Br)cc2)ccc1Br 124673548 QGASJYLFYAZONF-AWEZNQCLSA-N 486.951 6.909 50 10 JKGE Clc1cc2c(cc1[C@H](Cl)c1cc(Br)c(Br)s1)OCCCO2 128543255 UUYFMFRBGBCUIA-ZDUSSCGKSA-N 473.013 6.416 50 10 JKGE COc1cc(/C=C(/C#N)c2nc3ccc(Br)cc3c(=O)[nH]2)ccc1OCCC(C)C 221532230 GJFWYZXERJALFO-YBEGLDIGSA-N 468.351 5.183 50 10 JKGE Brc1ccc(Br)c([C@H](Br)c2ccoc2Br)c1 232483924 ZZDOQUZPOBXNOF-SNVBAGLBSA-N 473.784 6.051 50 10 JKGE O=C(Nc1ccc(CCl)cc1)c1cc(I)ccc1Br 236026836 PADNDNZXQHFELU-UHFFFAOYSA-N 450.501 5.045 50 10 JKGE Fc1c(Br)cccc1[C@@H](Br)c1cc(Br)c(Cl)s1 236125258 RUKPXDMJVKIBMZ-SECBINFHSA-N 463.391 6.550 50 10 JKGE CC(C)(C)c1ccc(C(=O)NN=Cc2cn(Cc3c(F)cccc3Cl)nc2-c2ccccc2)cc1 252642352 ZLHRIWZSOXMCBJ-UHFFFAOYSA-N 488.994 6.452 50 10 JKGE C/C(C=NNC(=O)c1cc(C(=O)NN=C/C(C)=C\c2ccccc2)c(C)nc1C)=C/c1ccccc1 254745559 KMKWLTQUAQNINI-WDQRYXAQSA-N 479.584 5.337 50 10 JKGE CC(C)(C)c1ccc(-c2nnc(SCC(=O)NN=C/C=C\c3ccco3)n2-c2ccccc2)cc1 254797338 LKQMEKAAQKIWPY-HQHXBPHZSA-N 485.613 5.732 50 10 JKGE Cc1ccc(-n2c(SCC(=O)NN=Cc3c(O)ccc4ccccc34)nnc2-c2ccccc2)cc1 254843527 ZBWOKUXRZSXUMO-UHFFFAOYSA-N 493.592 5.344 50 10 JKGE CCCCOc1ccc(C=NNC(=O)Nc2sc3c(c2C(=O)OCC)CCCC3)cc1OC 256017491 PACBDUVADZLMOS-UHFFFAOYSA-N 473.595 5.147 50 10 JKGE Cc1cc(Br)ccc1[C@H](Br)c1cc2c(cc1Br)OCC2 308412625 HVIAJEWWJWTXIN-INIZCTEOSA-N 460.991 5.939 50 10 JKGE C[C@@H](Cl)c1nc2cc(I)c(F)cc2n1[C@H](C)CCOCc1ccccc1 389615424 UXOTUPZTLRJUOU-ZIAGYGMSSA-N 486.756 6.248 50 10 JKGE Fc1ccc([C@@H](Cl)c2c(Br)cc(F)c(F)c2F)c(I)c1 398481735 UWTWCYLBMVTNRR-LLVKDONJSA-N 479.436 5.938 50 10 JKGE CC(C)(C)OC(=O)Nc1ccc([C@H]2COCCN(CCO[Si](C)(C)C(C)(C)C)C2)cc1 616663263 KQCXRMGBYJOFFW-HXUWFJFHSA-N 450.696 5.471 50 10 JKGE O=C(NC1(CCBr)CCCC1)c1cc(Br)c(Br)s1 687282765 LPPZXPIIKXPCHX-UHFFFAOYSA-N 460.029 5.101 50 10 JKGE Cn1cc(Br)c([C@H](Br)c2cc(Br)sc2Br)n1 693101878 PZPIACHWRURSBT-SSDOTTSWSA-N 493.844 5.253 50 10 JKGE CN(C(=O)c1ccc(Br)cc1Br)[C@@H](CBr)C(C)(C)C 708392340 KEUATDAJRCAMTM-LBPRGKRZSA-N 456.016 5.093 50 10 JKGE Cc1ccc([C@H](Br)c2cccc(C)c2I)c(C)c1Br 719535615 KWRKFTLCWVNAFR-HNNXBMFYSA-N 494.008 6.463 50 10 JKGE Cc1cc([C@H](Br)c2cc(Br)cc3c2O[C@H](C)C3)sc1Br 720054239 UGEZIEJTKJUBDM-AMIZOPFISA-N 481.047 6.389 50 10 JKGE O=C(COc1ccc(Cl)cc1Cl)NN=C(/C=C\c1ccccc1)/C=C/c1ccccc1 1084089204 CQEXFFIVRJJIIO-CNCWHKILSA-N 451.353 6.271 50 10 JKGE Cc1cc(Br)cc(Br)c1OCC(=O)NN=Cc1cccc(Cl)c1Cl 1084196089 OEDDRVQNSUIDGS-UHFFFAOYSA-N 494.998 5.356 50 10 JKGE COc1ccc(C(CSc2nc3ccccc3o2)=NNC(=O)c2ccccc2Cl)cc1 1084203763 MBIRGTLWOIAGMQ-UHFFFAOYSA-N 451.935 5.416 50 10 JKGE CCCOc1ccc([C@@H]2CN(C(=O)OCc3ccccc3)C[C@H]2CI)cc1 1614614632 CMXBMNDVUGLDRJ-CTNGQTDRSA-N 479.358 5.263 50 10 JKGE Cc1c(C(=O)N2c3ccc(F)cc3CC[C@H]2C)oc2c1C(=NNC(=O)c1ccc(F)cc1)CCC2 1772745024 OTJPQVDZXJXSER-OAHLLOKOSA-N 477.511 5.318 50 10 JKGE Cc1cc(C)c2c(CC(=O)NN=C3CCCc4oc(C(=O)NC5CCCC5)c(C)c43)coc2c1 1772752167 WROILZOCPSZTTP-UHFFFAOYSA-N 461.562 5.023 50 10 JKGE Cc1ccc(COc2ccc(C=NNC(=O)COc3ccccc3-c3ccccc3)cc2)cc1 1772753762 HQRWAHPVTUEEEJ-UHFFFAOYSA-N 450.538 5.770 50 10 JKGE CN=c1nc(O)n([C@H]2C[C@H](O[Si](C)(C)C(C)(C)C)[C@@H](CO[Si](C)(C)C(C)(C)C)O2)cc1C 1848438219 QNKGQHDNKMFCLG-IPMKNSEASA-N 483.802 5.127 50 10 JKGE CCCCCOc1ccc([C@@H]2C(C#N)=C(N)Oc3c2c(C)nn3Cc2ccccc2Cl)cc1OC 1865695028 IBAYSRBCCHFVPH-RUZDIDTESA-N 493.007 5.689 50 10 JKGE CCCc1nn(Cc2cc(C)ccc2C)c2c1[C@H](c1ccc(OC(C)C)c(OC)c1)C(C#N)=C(N)O2 1865695889 AIGNYJGBZFYNCU-AREMUKBSSA-N 486.616 5.515 50 10 JKGE COc1ccc(-c2nn(Cc3ccc(Cl)cc3)c3c2[C@@H](c2cccs2)C(C#N)=C(N)O3)cc1 1865698507 VSIPAOKRVRXGAD-OAQYLSRUSA-N 474.973 5.540 50 10 JKGE COc1cccc([C@H]2C(C#N)=C(N)Oc3c2c(C)nn3-c2ccc(C)cc2)c1OCc1cccc(C)c1 1865705017 KCYXQMHMKYPDIA-MHZLTWQESA-N 492.579 5.603 50 10 JKGE COc1cccc([C@H]2C(C#N)=C(N)Oc3c2c(-c2ccccc2)nn3Cc2c(F)cccc2Cl)c1 1865712023 NYHYUSBPHNKLHA-QHCPKHFHSA-N 486.934 5.618 50 10 JKGE Cc1nc(-c2ccc(F)c(F)c2)ccc1C(=O)NNC(=O)c1ccccc1SCC(C)C 1865757105 NESKFEWJKLGXFH-UHFFFAOYSA-N 455.530 5.158 50 10 JKGE COc1ccc([C@H](NC(=O)/C(C#N)=C/c2ccc(Br)cc2)c2nc(C)cs2)cc1 1866128917 SJKNJULQEWJVDF-KDMTZKAISA-N 468.376 5.035 50 10 JKGE CC(C)[C@H]1c2[nH]cnc2CCN1c1cc(Nc2ccc(SC#N)cc2)nc(-c2cccnc2)n1 1868565484 LHZMFXZCWZSMTO-DEOSSOPVSA-N 468.590 5.338 50 10 JKGE CCn1c(/C(C#N)=C/c2ccc(N3N=C(c4ccccc4)C[C@@H]3c3ccccc3)cc2)nc2ccccc21 1872730377 DUXINBGPTDHIJD-OJQZECFKSA-N 493.614 7.476 50 10 JKGE COc1ccc(-c2csc(/C(C#N)=C(\O)COc3cc(Cl)ccc3Cl)n2)cc1OC 1872745440 NBCYVTCZUJJFDC-VKAVYKQESA-N 463.342 6.006 50 10 JKGE CC[C@H](C)[C@@H](/C(O)=C(\C#N)c1nc(-c2ccc(OC)cc2)cs1)N1C(=O)c2ccccc2C1=O 1872745975 LYXHOHJJTPQEKM-HZBAIHJFSA-N 473.554 5.322 50 10 JKGE COc1ccc(-c2csc(/C(C#N)=C(O)/C=C/c3cc(OC)c(OC)c(OC)c3)n2)cc1C 1872746816 ZKTZBUVAVKOPBF-PTYIPUSCSA-N 464.543 5.659 50 10 JKGE CC(C)c1ccc(/C=C/C(O)=C(\C#N)c2nc(-c3ccc(Oc4ccccc4)cc3)cs2)cc1 1872753581 DOYFXHAJAILYEG-LJWVTKQGSA-N 464.590 8.232 50 10 JKGE Cc1cc(C)c(-c2csc(/C(C#N)=C(\O)Cc3ccc(OCc4ccccc4)cc3)n2)c(C)c1 1872756881 FZRJFOSIQRPBBS-RFBIWTDZSA-N 466.606 7.350 50 10 JKGE CCc1ccc(-c2csc(/C(C#N)=C/c3ccccc3OCc3ccccc3Cl)n2)cc1 1872781620 MNJHLADJQMRTRO-HZHRSRAPSA-N 456.998 7.669 50 10 JKGE COc1ccc(C)cc1-c1csc(/C(C#N)=C/c2cc(Br)c(O)c(OC)c2)n1 1872791128 XGGRYYXRPUKSCK-VGOFMYFVSA-N 457.349 5.668 50 10 JKGE N#C/C(=C\c1ccc(OCc2ccc(Cl)cc2Cl)cc1)c1nc(-c2ccc(F)cc2)cs1 1872791473 KFDZRDNNDXVOIW-YBFXNURJSA-N 481.379 7.899 50 10 JKGE FC1(F)CC[C@H](Br)[C@H](Cc2ccc(Br)cc2Br)CC1 1881848556 DPQUKXUHMXHKCN-JQWIXIFHSA-N 460.982 6.343 50 10 JKGE Fc1cscc1[C@@H](Br)c1cc(Br)ccc1OCc1ccccc1 1899849675 PBHMTVFECADZAD-SFHVURJKSA-N 456.174 6.713 50 10 JKGE Cc1c(Br)sc([C@H](Br)C2CC(OC(C)(C)C)C2)c1Br 1922936792 WUDSEDBPFSGOQT-NWGYLPEXSA-N 475.084 6.611 50 10 JKGE Cc1cccc(C[C@H](Br)c2c(Br)sc(Br)c2Cl)c1 1923050037 PJCPXAGUDATIRL-VIFPVBQESA-N 473.455 6.914 50 10 JKGE Clc1c(Br)sc(Br)c1[C@H](Br)[C@@H]1C[C@H]2C[C@H]1[C@H]1C[C@H]12 1923073869 BYISXSXRJAKGMH-RXZCWKOFSA-N 475.471 6.655 50 10 JKGE FC1(F)[C@H]([C@H](Br)c2c(Br)sc(Br)c2Cl)C12CCCC2 1923074287 JPUNPLNHOSIWMV-HTRCEHHLSA-N 499.440 7.188 50 10 JKGE COc1sc([C@H](Br)c2cccc(OCc3ccccc3)c2)cc1Br 1946723259 SZBHGDYHBIKUKD-GOSISDBHSA-N 468.210 6.583 50 10 JKGE O=C(O)CC[C@H](CCCC[C@@H]1CCSS1)NC(=O)OCC1c2ccccc2-c2ccccc21 1951642821 BODAJCLNTJIMLC-RBUKOAKNSA-N 485.671 6.473 50 10 JKGE CCN[C@H](c1c(Br)sc(Br)c1Br)[C@@H]1C[C@H]1Cl 1991683795 WVXQZURGKDCRDK-LRMHIPNDSA-N 452.437 5.314 50 10 JKGE CCc1sc(Br)cc1[C@H](Br)c1ccc(Br)c(F)c1 2030220501 LQWYHDSNKGPCJL-CYBMUJFWSA-N 457.000 6.459 50 10 JKGE O=C(c1csc(Br)c1Br)N1CCCCC[C@@H]1CBr 2032954229 ZDXBJVPNJHFVFI-MRVPVSSYSA-N 460.029 5.053 50 10 JKGE CC(C)Cc1ccc([C@H](Br)c2csc(Br)c2Br)s1 2032958503 FNJBLIAKHQKLBA-LLVKDONJSA-N 473.093 7.017 50 10 JKGE C[C@]1(C(F)(F)F)C[C@H]1[C@@H](Cl)c1c(Br)sc(Br)c1Br 2043569162 HBOZYQNFUWMUAZ-KCPCGSIISA-N 491.392 6.904 50 10 JKGE FC1(F)CCCCC[C@H]1[C@@H](Br)c1cc(Br)c(Br)s1 2046372480 CRPUMJGJOZSNFQ-OIBJUYFYSA-N 467.011 6.925 50 10 JKGE CC1(C)C[C@H](N(Cc2ccccc2)c2cc(Br)cc(F)c2CBr)CO1 2051133028 KKWWXYDGHUKCIQ-INIZCTEOSA-N 471.208 6.057 50 10 JKGE Clc1c(Br)sc(Br)c1[C@H](Br)[C@@H]1CCCCC12CC2 2053372873 ZEGUXLICOLVVNG-IONNQARKSA-N 477.487 7.333 50 10 JKGE CC(C)[C@H](C)N(Cc1ccccc1)S(=O)(=O)c1ccc(Br)c(CBr)c1 2059389906 IEFZWZFYAVMVPF-HNNXBMFYSA-N 489.273 5.579 50 10 JKGE CC(C)(C)OC(=O)N1[C@H]2CC[C@H]1CC1(C2)CC2(CC[C@](C)(CI)O2)C1 2065409221 IQIJJBUSXHPGSE-RLFYNMQTSA-N 461.384 5.071 50 10 JKGE Cc1c(Br)ccc([C@@H](Br)c2ccc(Br)cc2)c1Br 2083337153 HERWVDPQHNKAFV-AWEZNQCLSA-N 497.850 6.767 50 10 JKGE COc1c(Br)cc(C)cc1[C@H](Br)c1ccsc1Br 2083458694 XZRFZDUBVCHKME-LLVKDONJSA-N 455.009 6.074 50 10 JKGE Fc1ccc([C@@H](Cl)c2cc(C3CC3)c(Br)s2)c(I)c1 2094673459 LDXVLBBPHVZMTB-CYBMUJFWSA-N 471.560 6.460 50 10 JKGE O=C(c1csc(Br)c1Br)N(CCBr)Cc1cccs1 2114640128 AMOSKZIOORRWEJ-UHFFFAOYSA-N 488.064 5.372 50 10 JKGE O=C(c1cc(Br)sc1Br)N(CCBr)Cc1ccsc1 2114642529 ITZKUNOSIBVXPT-UHFFFAOYSA-N 488.064 5.372 50 10 JKGE Cc1cc(Br)c(CBr)c(N2CC[C@@H]3CN(Cc4ccccc4)C[C@@H]3C2)c1 2116826673 VUMIGTDEMHRUGV-RTBURBONSA-N 478.272 5.611 50 10 JKGE CCCOc1ccc([C@H](Br)c2cc(Br)sn2)cc1Br 2120037626 DPYWSXNEMDRQHC-ZDUSSCGKSA-N 470.024 5.941 50 10 JKGE Cc1nc([C@H](Cl)c2c(C)c(Br)cc(C)c2Br)c(Br)s1 2136369437 JSLSPQTZMUVPHE-LLVKDONJSA-N 488.470 6.684 50 10 JKGE Cc1cc(Cl)c([C@@H](Br)c2ccc(Br)cc2Br)cc1Cl 2136693445 NNXPWFJNMAGDKJ-AWEZNQCLSA-N 487.844 7.311 50 10 JKGE Cc1cc(Cl)c([C@@H](Cl)c2cc(I)ccc2Br)cc1Cl 2136697890 SCQMTHIGPULATR-AWEZNQCLSA-N 490.393 6.997 50 10 JKGE Cc1c(Br)ccc([C@H](Br)[C@]2(C)CCCC2(F)F)c1Br 2138870509 JHNGJQXBSWMNGB-STQMWFEESA-N 460.982 6.782 50 10 JKGE COc1c(Br)cc(C)cc1[C@@H](Br)c1c(C)nsc1Br 2139014837 KMJRQLCMUFFGCK-LLVKDONJSA-N 470.024 5.778 50 10 JKGE O=C(NC1(CCCBr)CCC1)c1cc(Br)cc(Br)c1 2140873604 WJVJUHFYZYKIJV-UHFFFAOYSA-N 454.000 5.039 50 10 JKGE COc1cc(Br)c(C)cc1[C@@H](Br)c1ccc(F)c(Br)c1 2145965421 WRSJDGMMKBHHBB-HNNXBMFYSA-N 466.970 6.152 50 10 JKGE O=C(N[C@@H]1CCCC[C@@H]1CCBr)c1cc(Br)cc(Br)c1 2146720591 URFMNCNNYDAGDY-QMTHXVAHSA-N 468.027 5.285 50 10 JKGE C[C@@H](Br)C12CCC(CC1)N2C(=O)c1cc(Br)cc(Br)c1 2153386170 MCCYIZWGBSETSE-IFXDAHQISA-N 466.011 5.132 50 10 JKGE Cc1sc(Br)c([C@H](Cl)c2cc(I)cc3c2OCC3)c1C 2157250230 BJIYSMHRINPWPO-CYBMUJFWSA-N 483.596 5.995 50 10 JKGE Cc1cc(Br)c([C@H](Cl)Cc2c(Cl)cccc2Cl)cc1Br 2161083185 HXIFPNAUHIHYMY-OAHLLOKOSA-N 457.420 7.349 50 10 JKGE Cc1c(Cl)cc([C@H](Br)c2cc(F)c(Br)cc2F)cc1Br 2167393182 ACMPICAOMKFDLS-AWEZNQCLSA-N 489.379 6.936 50 10 JKGE Cc1cc(C)c([C@@H](Cl)c2cc(I)ccc2F)c(C)c1Br 2169667261 DWVHHNGLOBZPRA-INIZCTEOSA-N 467.547 6.446 50 10 JKGE COC1(C(F)(F)F)CC([C@@H](Cl)c2sc(Br)c(C)c2Br)C1 2182019371 IDCNSKCYCKPSSB-NUQKGASQSA-N 456.549 6.219 50 10 JKGE COc1cc(C)c([C@H](Br)c2cc(C)cc(Br)c2)cc1Br 2198736290 CCDZNVRGHIGINY-MRXNPFEDSA-N 463.007 6.321 50 10 JKGE Cc1cc(Br)c(C)c([C@H](Br)[C@]23COC[C@H]2C3(F)F)c1Br 2201074259 ANHFWMQAHHWWLY-ICCXJUOJSA-N 474.965 5.546 50 10 JKGE Cc1c(Br)ccc([C@@H](Br)[C@@H]2C[C@H]2c2ccccc2)c1Br 2203690242 ZVMOZIDWYOHKMI-JJRVBVJISA-N 459.019 6.760 50 10 JKGE Fc1cc(Br)c(Br)cc1[C@H](Br)[C@H]1[C@H]2CCCCC[C@H]21 2225614985 BMHJFDYXWQMBHP-QTGCHDBNSA-N 455.003 6.613 50 10 JKGE Cc1cc(Br)c([C@H](Br)C(C(C)C)C(C)C)c(C)c1Br 2227346873 GARMRIUPXPVCRH-MRXNPFEDSA-N 455.072 7.193 50 10 JKGE Cc1ccc(F)c([C@H](Br)c2c(Br)cc(Cl)c(Cl)c2Cl)c1 2232509929 FSWRQHBZCZXWDU-LBPRGKRZSA-N 461.383 7.341 50 10 JKGE CC1(C)OCCC[C@H]1[C@@H](Br)c1c(Br)cc(Cl)c(Cl)c1Cl 2232510397 MRLOKIYTJCMLLV-WRWORJQWSA-N 465.440 7.051 50 10 JKGE Clc1cc(Br)c([C@H](Br)C2C[C@@H]3CC[C@H](C2)O3)c(Cl)c1Cl 2232510511 HGJGKVUKGLBXKQ-IPQYHECASA-N 463.424 6.803 50 10 JKGE Cc1cc(Br)c([C@H](Br)C2CC(C(F)(F)F)C2)c(C)c1Br 2235605469 KFGFDFDOEKDBID-KJHLLKJSSA-N 478.972 6.853 50 10 JKGE Clc1ccccc1[C@@H](CBr)OCCOCCOCCOCc1ccccc1 2236088235 DWVGRPZCFOSZNT-OAQYLSRUSA-N 457.792 5.043 50 10 JKGE FC(F)(F)Oc1ccc(Cl)cc1[C@@H](Br)c1cc(I)sn1 2239624645 NKRZACIPEMFYSY-SNVBAGLBSA-N 498.489 5.784 50 10 JKGE CC(C)(C)c1cc(Br)cc(C[C@@H](Br)CN2C(=O)c3ccccc3C2=O)c1 2245036126 LSBQGDZNLPIIDH-MRXNPFEDSA-N 479.212 5.349 50 10 JKGE CCc1cc([C@@H](Cl)c2cc(Br)cc(Br)c2)sc1Br 2255990355 ZVWVUOVKGOWQRX-LBPRGKRZSA-N 473.455 6.926 50 10 JKGE Cc1nc(C[C@H](Br)c2ccc(Cl)c(I)c2)sc1C 2256330801 DLKFGZQSAWRKEO-JTQLQIEISA-N 456.574 5.697 50 10 JKGE COCc1cc(Br)c([C@@H](Cl)c2c(F)cccc2I)s1 2267663574 PPMLQPMJMIQRLR-LBPRGKRZSA-N 475.548 5.729 50 10 JKGE CO[C@@H]1CC[C@@H]1C[C@@H](Br)c1c(F)cc(Br)c(F)c1Br 2272730057 UFWOWKNQASVAAW-BRDIYROLSA-N 462.954 5.741 50 10 JKGE Fc1cc(C[C@@H](Cl)c2ccc(I)c(Br)c2)ccc1Cl 2277800521 AOUGQAGJJQDLFH-GFCCVEGCSA-N 473.938 6.369 50 10 JKGE COc1c([C@@H](Br)c2cnn(C)c2Br)cc(Br)c(C)c1C 2284586970 JOKIJIYYNZBBIB-GFCCVEGCSA-N 466.999 5.055 50 10 JKGE COc1ccc([C@@H](Br)Cc2c(F)cccc2F)cc1I 2284999334 PLBODGLUNJIHFP-NSHDSACASA-N 453.064 5.257 50 10 JKGE C[C@H](Br)CN(CCC(C)(C)C)C(=O)c1scc(Br)c1Br 2288074901 LNSGIYYVDBFSOW-VIFPVBQESA-N 490.099 5.935 50 10 JKGE Fc1cc(Br)c(F)c(Br)c1[C@H](Br)C1C[C@@H]2CCC[C@H]2C1 2288485499 YHAQTSNLRRRFJC-UVPNAGLESA-N 472.993 6.752 50 10 JKGE CCOc1ccc(C=C(C#N)C(=O)Nc2ccc(Cl)c(Cl)c2)cc1I 2293682649 YFIJDGATMNOZFC-UHFFFAOYSA-N 487.124 5.542 50 10 JKGE COc1cc(C=CC(=O)Oc2ccc([N+](=O)[O-])cc2)cc(Br)c1OCc1ccccc1 2294608140 AWBXPKCUMJKETA-UHFFFAOYSA-N 484.302 5.564 50 10 JKGE N#CC(=Cc1ccccc1OCc1ccccc1Cl)c1nnc(NC(=O)c2ccccc2)s1 2295163753 DSIIXHXPWLFYOF-UHFFFAOYSA-N 472.957 6.087 50 10 JKGE COc1c(Br)cc(Cl)c(C)c1[C@H](Cl)c1cccc(I)c1 2295372989 NQHCOYZEBNWXNK-CQSZACIVSA-N 485.974 6.352 50 10 JKGE Fc1cc([C@@H](Cl)c2cc3sc(Br)cc3s2)c(Cl)cc1Br 2295492267 IFIZKRDUEKFRFH-CYBMUJFWSA-N 475.029 7.609 50 10 JKGE Fc1cc(Cl)c(Br)c(Cl)c1[C@@H](Br)C1(Br)CCC1 2298980758 AYEUFQYWYIGULA-SNVBAGLBSA-N 469.801 6.649 50 10 JKGE N#CC(=Cc1cn(Cc2ccccc2F)c2ccccc12)C(=O)N1CCN(c2ccccc2)CC1 2313567975 QRGCDJHPOASDEL-UHFFFAOYSA-N 464.544 5.084 50 10 JKGE COc1ccc(C=C(C#N)C(=O)Nc2cccc(Cl)c2)cc1OCc1ccccc1Cl 2313630504 AYILPSCYXXIGLO-UHFFFAOYSA-N 453.325 6.127 50 10 JKGE N#CC(=Cc1ccccc1OCc1ccc(Cl)c(Cl)c1)C(=O)Nc1ccccc1Cl 2313631555 RWRZTNTXWGLULS-UHFFFAOYSA-N 457.744 6.771 50 10 JKGE Cc1ccc(Cl)cc1[C@H](Br)c1cc(Br)ccc1OCc1ccccc1 2314448537 IVAIYPVUVIKNCM-NRFANRHFSA-N 480.627 7.474 50 10 JKGE COc1cccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)C=Cc4ccc(Cl)cc4Cl)ccc32)c1 2314634298 YXESJJQERYVQGV-VWLOTQADSA-N 493.346 5.839 50 10 JKGE C=CCOc1cccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)C=Cc4ccc(OC)cc4)ccc32)c1 2314634693 ASMPUMNKWCOTJY-MUUNZHRXSA-N 480.520 5.097 50 10 JKGE COc1ccc(CCN(Cc2ccccc2)[C@@H](CBr)C(C)C)c(Br)c1 2317220889 RKRIZTKRXISFJS-NRFANRHFSA-N 469.261 5.922 50 10 JKGE Clc1ccc(I)cc1CO[C@H]1CCCCC[C@@H]1I 2327242477 RIOXOIDGXHRPDH-KBPBESRZSA-N 490.550 5.598 50 10 JKGE CCCCCCCOc1ccc(-c2csc(C(C#N)=C(O)Cc3ccc(OC)c(OC)c3)n2)cc1 2331344641 BOUAEJMADRBAEP-UHFFFAOYSA-N 492.641 7.212 50 10 JKGE COc1cc(C)c(-c2csc(C(C#N)=C(O)COc3ccc(Cl)cc3Cl)n2)cc1C 2331403077 ZXVUOXDGYUZEDD-UHFFFAOYSA-N 461.370 6.614 50 10 JKGE COc1ccc(-c2csc(C(C#N)=C(O)CCCOc3ccccc3C)n2)c2ccccc12 2331406393 IAFKPXAVXVSFLA-UHFFFAOYSA-N 456.567 6.932 50 10 JKGE COc1ccc(-c2csc(C(C#N)=Cc3ccc(OCc4ccccc4Cl)cc3)n2)cc1C 2331429599 KVRMFASEIJBPFN-UHFFFAOYSA-N 472.997 7.424 50 10 JKGE CCCOc1ccc(-c2csc(C(C#N)=Cc3cn(C)c4ccccc34)n2)cc1OCCC 2331437806 GFAPSTGKIMBZBR-UHFFFAOYSA-N 457.599 6.944 50 10 JKGE Brc1ccc(OCc2ccccc2)c([C@H](Br)[C@@H]2C[C@H]2c2ccccc2)c1 2336039879 ARBDETJRVRMZOX-MIZPHKNDSA-N 472.220 7.268 50 10 JKGE C[C@@H]1CCC[C@@H]([C@@H](Br)c2c(Cl)cc(Br)c(F)c2Br)C1 2337080214 FGFUXGPBWNAXOI-DNSOKLHBSA-N 477.437 7.266 50 10 JKGE C[C@@H]1C[C@@H](C[C@H](Br)c2c(Cl)cc(Br)c(F)c2Br)CO1 2337094337 NZVIYFQMZQBACL-CSMHCCOUSA-N 479.409 6.255 50 10 JKGE CCC(CC)(CC)[C@H](Br)c1c(Cl)cc(Br)c(F)c1Br 2337096293 GTMKLGZLNBJHMO-CYBMUJFWSA-N 479.453 7.657 50 10 JKGE Cc1cc(F)c(F)cc1[C@H](Br)c1c(Br)c(Br)nn1C 2338719421 HTDBQHGXRRAMGD-VIFPVBQESA-N 458.926 5.016 50 10 JKGE Cc1cc(Br)c(F)c(Br)c1[C@H](Br)c1csc(C)c1C 2339679879 QAAKFDAMMPKEMU-GFCCVEGCSA-N 471.027 6.822 50 10 JKGE COc1c(Br)cc(C)c([C@@H](Br)[C@H](C)C(C)(F)F)c1Br 2339690837 LEHOGBBYAFHBPU-XVKPBYJWSA-N 464.970 6.256 50 10 JKGE Clc1ccccc1[C@H](Cl)CCc1ccc(I)c(Br)c1 2349834108 GOGQFUHBAVCUME-CQSZACIVSA-N 469.975 6.620 50 10 JKGE CC12CC(C1)[C@@H](COc1c(Br)cc(Br)cc1CBr)CO2 2363016254 PCCVBBKGYAIYOG-VTWZXRTESA-N 469.011 5.300 50 10 JKGE COc1c(Br)cc(C)c([C@H](Br)C[C@@H]2CCO[C@H]2C)c1Br 2365217482 FIOLWLDPFUPYMY-GARJFASQSA-N 471.027 5.780 50 10 JKGE COc1cccc([C@@H](Br)CCc2ccc(Cl)cc2I)c1 2366710596 QGKOXSLNIJQGQS-HNNXBMFYSA-N 465.556 6.022 50 10 JKGE COCc1ccc([C@@H](Br)c2c(Br)cc(C)c(Br)c2C)s1 2367817520 KSGBWRHHXJDEOR-OAHLLOKOSA-N 483.063 6.521 50 10 JKGE N#CC(/C(O)=N/c1ccc(F)cc1)=C1/S[C@@H](Cc2ccc(F)cc2)C(=O)N1c1ccc(F)cc1 2401549 GKWQMWSGDGNGHH-JSIHEXFSSA-N 479.483 5.818 50 10 JKGE N#C/C(C(N)=O)=C1\SC=C(c2ccc(-c3cc(Cl)ccc3Cl)o2)N1c1ccccc1 2671044 UMLIXAXAUYLYKY-CJLVFECKSA-N 454.338 6.026 50 10 JKGE CCCCCCOc1ccc(C(=O)NNC(=O)[C@@H](C)Oc2ccc(Cl)cc2Br)cc1 14644469 HLRDKDWHYSRSIZ-OAHLLOKOSA-N 497.817 5.290 50 10 JKGE CC[C@H](Oc1ccc(-c2ccccc2)cc1)C(=O)NNC(=O)COc1ccc(-c2ccccc2)cc1 14768835 XGDACGHHOBRYJR-NDEPHWFRSA-N 480.564 5.404 50 10 JKGE COc1ccc(/C(C#N)=C\c2ccc(OC(=O)c3cc4ccccc4oc3=O)c(OC)c2)cc1OC 31902097 ZAKKRJNOSXDEPI-NDENLUEZSA-N 483.476 5.102 50 10 JKGE COc1ccc(/C=C(/C#N)C(=O)Nc2ccccc2[N+](=O)[O-])cc1OC(=O)c1cccc2ccccc12 33678333 NXIYLCSONWUGBN-HKWRFOASSA-N 493.475 5.521 50 10 JKGE CCCNC(=O)/C(C#N)=C\c1ccc(OC(=O)/C=C\c2ccc(OCc3ccccc3)cc2)c(OC)c1 33716601 CELHQUJIDANYEZ-MVBYXHOVSA-N 496.563 5.326 50 10 JKGE N#C/C(=C/c1ccc(OCc2ccccc2)c(Br)c1)C(=O)Nc1ccc([N+](=O)[O-])cc1 33930348 WZPFKSLNLYGYPG-PDGQHHTCSA-N 478.302 5.482 50 10 JKGE Cc1ccc(OCC(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@H]3c2c(Cl)cccc2Cl)cc1C 38679896 SDCBZXHJABJUBV-DEOSSOPVSA-N 495.362 5.813 50 10 JKGE CCCCCOc1cccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4cccc(Cl)c4)ccc32)c1 38684820 YFQGIEXRYOMQKS-AREMUKBSSA-N 488.971 6.346 50 10 JKGE CCCCCOc1ccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4ccccc4[N+](=O)[O-])ccc32)cc1 38685400 LGGCOAVLFWRSCH-SANMLTNESA-N 499.523 5.601 50 10 JKGE O=C(NNc1ncnc(Nc2ccccc2Cl)c1[N+](=O)[O-])C(c1ccccc1)c1ccccc1 40648167 YZPNTMHLLYEFHL-UHFFFAOYSA-N 474.908 5.057 50 10 JKGE Cc1ccc(NC(=O)c2oc3c(c2C)/C(=N/NC(=O)c2ccccc2)CCC3)c(Br)c1 40804314 YPNQTRASSVIPME-ZXVVBBHZSA-N 480.362 5.382 50 10 JKGE Cc1cc(C)cc(NC(=O)c2oc3c(c2C)/C(=N/NC(=O)c2ccccc2Br)CCC3)c1 40812840 WSFYXJUJTQUXGK-VFCFBJKWSA-N 494.389 5.690 50 10 JKGE CCCOc1ccc(/C=N/NC(=O)COc2ccc(C(C)(C)C)cc2Br)cc1OC 40950827 WHFMYTFHVWSEHJ-AFUMVMLFSA-N 477.399 5.073 50 10 JKGE CCCCC1CCC(C(=O)N2c3ccc(C(=O)[C@H](Br)CCC)cc3C[C@H]2C)CC1 71432534 RDAHZXNNIDKWLD-AITKFJGESA-N 462.472 6.707 50 10 JKGE N#C/C(=C/c1cn(Cc2cccc3ccccc23)c2ccccc12)C(=O)Nc1nc2ccccc2s1 96936204 JVIVOXNHNCVCRC-JWGURIENSA-N 484.584 6.998 50 10 JKGE Fc1cc2c(cc1I)nc(CCl)n2-c1cccc(Br)c1 97408455 ZGILWUSLOCPZMB-UHFFFAOYSA-N 465.491 5.271 50 10 JKGE Cc1ccc(-c2csc(/C(C#N)=C\Nc3ccc4c(C(F)(F)F)cc(=O)oc4c3)n2)cc1C 102417667 KTTUNFYECPNIQU-WJDWOHSUSA-N 467.472 6.529 50 10 JKGE COc1ccc(/C=C2/CCC[C@@H]3C2=NN(C(=O)/C(C#N)=C/c2ccco2)[C@@H]3c2ccc(OC)cc2)cc1 103201027 DHWUBFOYUAUVOK-DEWATGRNSA-N 493.563 6.027 50 10 JKGE CCOc1ccc(Br)cc1[C@@H](Br)c1ccc(Br)cc1C 109871639 LLJIKBSKXHTQAN-INIZCTEOSA-N 463.007 6.403 50 10 JKGE Fc1cc(Br)cc(F)c1[C@H](Br)c1cc(Cl)c(Br)s1 127545769 LWUZFMONTLWFKR-SNVBAGLBSA-N 481.381 6.689 50 10 JKGE Cl[C@H](c1cc(Br)ccc1Br)c1cc(Br)cc2c1OCC2 161122824 SPGNFWDBFBWJSA-CQSZACIVSA-N 481.409 6.237 50 10 JKGE Cc1cc(C)c(NC(=O)/C(C#N)=C\c2c(C)nn(Cc3ccc(Cl)cc3)c2Cl)c(C)c1 208030990 XPLSQVREIBNDLU-ODLFYWEKSA-N 453.373 6.018 50 10 JKGE COc1ccc(/C=C/C(=O)Oc2ccc(/C=C(/C#N)c3nc(-c4ccc(F)cc4)cs3)cc2)cc1 210607247 WOKFXSCSQGDHFH-KTWQCYKVSA-N 482.536 6.641 50 10 JKGE Clc1cc([C@@H](Br)c2cc(Br)c(Cl)s2)ccc1Br 227846142 HBTFFFTVPUNMDS-SNVBAGLBSA-N 479.846 7.064 50 10 JKGE Clc1cccc(C[C@H](Br)c2ccc(I)c(Cl)c2)c1 232386391 GQUCOODCSNECEC-LBPRGKRZSA-N 455.948 6.277 50 10 JKGE O=[N+]([O-])c1ccc(Br)c(Oc2ccc(Br)cc2CBr)c1 232479227 AUHWESGDPJJKTM-UHFFFAOYSA-N 465.923 5.807 50 10 JKGE CC(C)(C)c1ccc(OCc2ccc(C(=O)NN=Cc3ccccc3OC(F)F)cc2)cc1 254838632 JADUQFFELSXPST-UHFFFAOYSA-N 452.501 5.928 50 10 JKGE COc1cc(C=NNC(=O)c2cc3cc([N+](=O)[O-])ccc3o2)ccc1OCc1cccc(C)c1 263628189 VVLDFTZYLDSLTA-UHFFFAOYSA-N 459.458 5.001 50 10 JKGE Fc1cc(Br)c(Cl)cc1[C@@H](Cl)c1sccc1I 383322962 SVTJYJHAWXFGIE-SNVBAGLBSA-N 465.940 6.236 50 10 JKGE Brc1cc(Br)cc([C@@H]2CCC[C@@H](CI)O2)c1 394511556 BFZJKSHMWZJPHY-RYUDHWBXSA-N 459.947 5.257 50 10 JKGE CCC(CC)N(CCBr)c1ncc(C(F)(F)F)cc1I 686110794 IQHOOKGZLNBESK-UHFFFAOYSA-N 465.095 5.095 50 10 JKGE CCn1cc([C@@H](Br)c2c(C)cc(C)c(Br)c2C)nc1Br 698393165 ULOCIQISJUOWKL-CQSZACIVSA-N 465.027 5.838 50 10 JKGE Cn1cc([C@@H](Br)c2cc(Cl)c(Br)cc2F)nc1Br 698431974 DZENNCXOUMQBNC-JTQLQIEISA-N 461.354 5.222 50 10 JKGE CCn1nc(C)c2nc([C@@H](C)Cl)n(CC3(N(Cc4ccccc4)Cc4ccccc4)COC3)c21 705606393 UVZZSAOXKJUVCK-HXUWFJFHSA-N 478.040 5.332 50 10 JKGE COc1ccc([C@H](Br)c2scc(Br)c2Br)c(F)c1 707817458 DVBXBDOMRAUMHS-JTQLQIEISA-N 458.972 5.905 50 10 JKGE Clc1ccc(C[C@H](Cl)c2ccc(I)c(Br)c2)cc1 721608249 FQOIXANTMSAYGK-ZDUSSCGKSA-N 455.948 6.230 50 10 JKGE O=C([C@H](c1cccs1)N(C(=O)CCl)c1cccc(C(F)(F)F)c1)N1CC[C@H]2CCCC[C@@H]2C1 725237165 ALJZRVAMJQOELB-YVHKJVDXSA-N 498.998 6.119 50 10 JKGE Cc1cccc(NC(=O)[C@H](c2cccs2)N(C(=O)CCl)c2cccc(C(F)(F)F)c2)c1 725237708 MIDFXCXYIOEXGM-FQEVSTJZSA-N 466.912 6.027 50 10 JKGE O=C(CCCC(=O)Nc1cccc(Br)c1)NN=Cc1c2ccccc2cc2ccccc12 1083993265 OVFFHKLUPFBXNC-UHFFFAOYSA-N 488.385 6.015 50 10 JKGE COc1ccc(/C(C#N)=C/c2cccc(OC(=O)/C=C/c3ccc([N+](=O)[O-])cc3)c2)cc1OC 1615066892 VKXCEWUNRNKTBN-HNTIPGDBSA-N 456.454 5.295 50 10 JKGE Cc1c(C(=O)Nc2ccc(Cl)c(Cl)c2)oc2c1C(=NNC(=O)c1ccc(O)cc1)CCC2 1772745417 YSKIBKRCTGJLHG-UHFFFAOYSA-N 472.328 5.323 50 10 JKGE CCc1nn(-c2ccc(Cl)c(Cl)c2)c2c1[C@H](c1ccc(C(C)(C)C)cc1)C(C#N)=C(N)O2 1865682059 DVMNSMROASUKOO-OAQYLSRUSA-N 467.400 6.257 50 10 JKGE CC(C)(C)c1ccc([C@@H]2C(C#N)=C(N)Oc3c2c(C(F)(F)F)nn3-c2cccc(Cl)c2)cc1 1865682698 VWAFPSJUDULOPS-GOSISDBHSA-N 472.898 6.060 50 10 JKGE N#CC1=C(N)Oc2c(c(C(F)(F)F)nn2Cc2cccc(F)c2)[C@@H]1c1cccc(Br)c1 1865683453 DZCUPIXCHMWUIQ-MRXNPFEDSA-N 493.258 5.070 50 10 JKGE N#CC1=C(N)Oc2c(c(C(F)(F)F)nn2-c2ccc(Cl)cc2)[C@H]1c1cccc(Br)c1 1865684810 ZBFOLNUURSFCGM-HNNXBMFYSA-N 495.686 5.525 50 10 JKGE Cc1nn(-c2ccc(Cl)c(Cl)c2)c2c1[C@H](c1ccc(Cl)c([N+](=O)[O-])c1)C(C#N)=C(N)O2 1865706040 MGLWLJUVFMVJFL-GOSISDBHSA-N 476.707 5.267 50 10 JKGE COc1ccc(-c2nn(Cc3cc(C)ccc3C)c3c2[C@H](c2cccc(F)c2)C(C#N)=C(N)O3)cc1 1865711314 VLNYVPVQTOSFSY-RUZDIDTESA-N 480.543 5.581 50 10 JKGE CC(C)C[C@@H](CC(=O)N[C@H](C(=O)Nc1ccc(SC#N)cc1)c1ccccc1)c1ccc(F)cc1 1867104583 PGCSXODFJQXCBB-CUNXSJBXSA-N 489.616 6.415 50 10 JKGE CCCc1nc(Nc2ccc(SC#N)cc2)cc(N2CC[C@H](c3ccc4c(c3)OCO4)C2)n1 1868388607 LYDFUMXPGMNPDQ-SFHVURJKSA-N 459.575 5.468 50 10 JKGE CCCCOc1ccc(/C=C(\C#N)c2nc(-c3cccc(Br)c3)cs2)cc1OC 1872784740 YUVHJDCEGUKEPX-WOJGMQOQSA-N 469.404 6.824 50 10 JKGE CCOc1cc(/C=C(\C#N)c2nc(-c3ccc(Cl)cc3)cs2)ccc1OCc1ccccc1 1872790085 KCIMEDOITNCACG-HYARGMPZSA-N 472.997 7.505 50 10 JKGE COc1cc(/C=C(\C#N)c2nc(-c3ccc(F)c(C)c3)cs2)ccc1OCCCc1ccccc1 1872791100 VUYGPAGEGJMUOX-LFVJCYFKSA-N 484.596 7.342 50 10 JKGE CCCOc1c(Br)cc(/C=C(\C#N)c2nc(-c3c[nH]c4ccccc34)cs2)cc1OC 1872791247 DDTYNVILYSIRLO-CXUHLZMHSA-N 494.414 6.915 50 10 JKGE O=C(N[C@H](CCSCC1CC(Cl)C1)C(=O)O)OCC1c2ccccc2-c2ccccc21 1893513044 DHHREMDSZNWRMW-WTOQYCPUSA-N 459.995 5.119 50 10 JKGE Clc1ccc(I)c(CN2CC3(CCCC3)C[C@@H]2CBr)c1 1912790151 SKOKDBPYWMTTEL-CQSZACIVSA-N 468.604 5.474 50 10 JKGE COC[C@]1([C@H](Br)c2sc(Br)c(C)c2Br)CCCO1 1922930342 RDYSKJMWJLCGBP-PWSUYJOCSA-N 463.029 5.213 50 10 JKGE C[C@@H](c1ccncc1Br)[C@H](Br)c1c(F)cccc1Br 1924042240 ZHTLLSLMAXAMKW-RTHLEPHNSA-N 451.959 5.985 50 10 JKGE C[C@H](c1ccncc1Br)[C@H](Br)c1cc(Br)ccc1Cl 1924042314 ZQTCGEVYXRPCAX-CLAHSXSESA-N 468.414 6.500 50 10 JKGE Cl[C@@H](C[C@@H]1CC[C@@H]2C[C@H]12)c1c(Br)sc(Br)c1Br 1924613123 GLHYIPXXFRQENF-KVPKETBZSA-N 463.460 6.752 50 10 JKGE CCc1sc(Br)cc1[C@@H](Br)c1ccc(C)c(Br)c1 2030223471 ULKCKCCORYZFCB-AWEZNQCLSA-N 453.037 6.628 50 10 JKGE CC[C@@H]1CN(C(=O)OCc2ccccc2)[C@H](CC)CN1C[C@@H](CBr)C1CCC1 2044626410 HFGAGUZVORKEEO-YPAWHYETSA-N 451.449 5.309 50 10 JKGE CCc1sc(Br)cc1[C@H](Br)c1c(Br)c(C)nn1C 2072300555 MNWAENUUJQTXPZ-NSHDSACASA-N 457.029 5.362 50 10 JKGE Cc1sc(Br)c([C@@H](Br)c2cc(Cl)cc(Br)c2)c1C 2082884343 KSRVTDROALYNJJ-LBPRGKRZSA-N 473.455 7.028 50 10 JKGE Brc1cc(Br)c([C@@H](Br)[C@@H]2C[C@H]3COC[C@H](C3)C2)s1 2085741176 MRFUXOCYBWFPRL-HAYRHPOISA-N 459.041 5.772 50 10 JKGE Fc1ccc([C@@H](Br)c2ccc(Br)cc2I)cc1F 2086150255 YOBGYYNIQQATEN-CYBMUJFWSA-N 487.907 5.816 50 10 JKGE CN(Cc1ccc(Br)s1)c1c(CBr)ccc(Br)c1Cl 2100767350 QVNSWGZWJXAVNH-UHFFFAOYSA-N 488.470 6.458 50 10 JKGE Cc1cc(Br)c(C)c([C@@H](Cl)c2cnn(C)c2Br)c1Br 2136378273 CFIYCLJNCFAJLY-LBPRGKRZSA-N 471.418 5.653 50 10 JKGE CC[C@H](CC(C)C)[C@H](Br)c1c(C)c(Br)cc(C)c1Br 2136383444 GNIIFNMCQYLXRI-WBMJQRKESA-N 455.072 7.337 50 10 JKGE Cc1cc([C@H](Br)c2c(Br)cc(F)c(Cl)c2F)sc1Br 2136966933 OQPBUCINKIZXQP-VIFPVBQESA-N 495.408 6.997 50 10 JKGE COc1cc(Cl)c([C@@H](Br)c2nn(C)cc2Br)cc1Br 2137644915 GTLWOZCICFGHBU-LLVKDONJSA-N 473.390 5.091 50 10 JKGE CC12CC([C@H](Br)c3ccc(Br)cc3Br)(C1)C(C)(C)O2 2138873348 XPLVJPKUAVXCBJ-LRVUVFPRSA-N 453.012 5.995 50 10 JKGE Clc1cc(CN2CC[C@H](Br)CC23CCC3)ccc1I 2142951378 ZNOUSFQTYVPZOZ-LBPRGKRZSA-N 454.577 5.227 50 10 JKGE C[C@H]1C[C@H](C)CC[C@@H]1O[C@@](C)(CI)c1ccccc1Br 2152467050 FJRAWLPJPWNAMT-OQUILHJVSA-N 451.186 5.941 50 10 JKGE COc1ccc(Br)cc1CC[C@@H](Br)c1ccc(Br)cc1 2169798134 AIPMTIGRQYKQTE-OAHLLOKOSA-N 463.007 6.289 50 10 JKGE Clc1cc(Cl)c(OCc2ncc(Br)cc2Cl)c(CBr)c1 2183582397 YOCNELPORGYNAS-UHFFFAOYSA-N 460.380 6.278 50 10 JKGE Fc1cc(Br)cc(CBr)c1OC[C@@H]1CC1(Br)Br 2213086426 XZCOBVWKUCCPTE-ZETCQYMHSA-N 495.806 5.368 50 10 JKGE CC1(C)CCC[C@H](c2sc(Br)c(Br)c2Br)[C@H]1Cl 2216393795 MAGHAASXQRCNBP-LHLIQPBNSA-N 465.476 6.937 50 10 JKGE C[C@@H](CC(C)(C)C)[C@H](Br)c1c(Br)cc(Cl)c(Cl)c1Cl 2224317637 PMHRLRXCJSHACI-CPCISQLKSA-N 451.457 7.918 50 10 JKGE Brc1ccc(Br)c([C@H](Br)C2C[C@H]3CCC[C@H](C2)C3)c1 2225301490 MOJDLVKCUXZFSL-XMZIXOGTSA-N 451.040 6.864 50 10 JKGE Cc1cc(Br)c([C@H](Br)[C@@H]2C[C@H]3C[C@H]3CO2)c(C)c1Br 2227373466 ZXLPMOWGDKYTCH-GOMXZESMSA-N 453.012 5.689 50 10 JKGE Cc1sc([C@H](Br)c2cc(C3CC3)c(Br)s2)c(Br)c1C 2229323411 PSNQZIKYFCWRAS-GFCCVEGCSA-N 485.104 7.313 50 10 JKGE COc1ccc([C@@H](Br)c2c(C)sc(Br)c2C)c(Br)c1 2232078840 DSCNYESDSHRHEC-CYBMUJFWSA-N 469.036 6.383 50 10 JKGE Cc1cc(Br)c([C@@H](Br)[C@@H]2CC[C@H]3C[C@H]3CC2)c(C)c1Br 2235613844 BLNMYRTVYOGBIH-LKQDWFRTSA-N 465.067 7.091 50 10 JKGE Fc1cc(F)c([C@H](Br)c2ccc(Cl)c(Br)c2)c(F)c1Br 2236112272 YNMOASFZLROUOP-LLVKDONJSA-N 493.342 6.767 50 10 JKGE Clc1ccc(CO[C@@H](CI)c2ccccc2Br)c(Cl)c1 2239710239 USDYFSBFIKOINO-HNNXBMFYSA-N 485.974 6.449 50 10 JKGE Fc1cccc([C@@H](Br)c2ccc([C@@H]3CCOC3)s2)c1I 2240430801 BWKLXJIVFMUEIP-YMTOWFKASA-N 467.141 5.480 50 10 JKGE Fc1cccc(I)c1[C@H](Br)c1ccc(Br)s1 2243439411 GTIFDHRLBDJBGS-LLVKDONJSA-N 475.946 5.739 50 10 JKGE Clc1cccc([C@H](Cl)c2cc(Br)sc2Br)c1Br 2248096061 KPIJJPYAFHRFRT-JTQLQIEISA-N 479.846 7.017 50 10 JKGE Fc1cccc(I)c1[C@@H](Br)c1ccc(Cl)cc1Cl 2255959931 LADKGPWKUZNWBO-ZDUSSCGKSA-N 459.911 6.221 50 10 JKGE Fc1cc(Br)c(F)c(Br)c1[C@H](Cl)c1cc(Br)co1 2260001532 NDUCDAOMGUPGIX-SNVBAGLBSA-N 465.313 6.174 50 10 JKGE CC(C)c1cc(Br)cc([C@@H](Cl)c2sc(Br)cc2Br)c1 2265950972 KLJACNCZNJPENA-CYBMUJFWSA-N 487.482 7.487 50 10 JKGE CC[C@H](CC(C)C)[C@@H](Br)c1c(F)cc(Br)c(F)c1Br 2272853944 MKLXEBVTGFCHAN-PRHODGIISA-N 462.998 6.998 50 10 JKGE FC(F)c1nc([C@H](Br)Cc2cc(Br)cc(Br)c2)cs1 2277955378 JDORSVJXRROPAC-SECBINFHSA-N 475.978 6.284 50 10 JKGE CCO[C@@H]1CC[C@H]([C@@H](Br)Cc2cc(Br)cc(Br)c2)C1 2277955606 KEEFNSVBHHPKQG-GLQYFDAESA-N 455.028 5.723 50 10 JKGE CC(C)(C)OC(=O)N[C@H]1CCN(CC2(CBr)CCCCC2)[C@H](C(F)(F)F)C1 2281004312 MHAIHIPKNRIAKZ-GJZGRUSLSA-N 457.375 5.252 50 10 JKGE COc1cc(C)c(Br)c(C)c1[C@H](Br)c1ccccc1Br 2285074509 JWTSZAKXBLRFML-MRXNPFEDSA-N 463.007 6.321 50 10 JKGE Fc1ccc(Cl)c([C@@H](Br)c2c(F)cc(Br)c(F)c2Br)c1 2288349413 PIKGYSRTQJQJAX-LLVKDONJSA-N 493.342 6.767 50 10 JKGE COc1cc(C=C(C#N)C(=O)Nc2ccc(C)c(C)c2)ccc1OCc1cccc(C(=O)O)c1 2294171861 DVUSSRMXHUNMID-UHFFFAOYSA-N 456.498 5.135 50 10 JKGE COc1ccc(C=CC(=O)Oc2ccc(C=NNC(=O)COc3ccc(C(C)(C)C)cc3)cc2)cc1 2294700853 MFQAQPOAZKVSHM-UHFFFAOYSA-N 486.568 5.141 50 10 JKGE CCOC(=O)c1c(NC=C(C#N)c2nc(-c3cccc(OC)c3)cs2)sc2c1CCCC2 2296048070 WWYCPIWEFMATOU-UHFFFAOYSA-N 465.600 5.912 50 10 JKGE COc1cccc2cc(-c3nn(-c4ccccc4)cc3C=C(C#N)c3nc(O)c4ccccc4n3)oc12 2296722575 SHOBJKJSKWIWNR-UHFFFAOYSA-N 485.503 6.007 50 10 JKGE CCCCCCCCNC(=O)C(C#N)=Cc1cn(-c2ccccc2)nc1-c1ccc2c(c1)OCCO2 2297488351 IEUYIRSMROLEDB-UHFFFAOYSA-N 484.600 5.694 50 10 JKGE COc1cc(C=C(C#N)C(=O)Nc2nc3ccccc3s2)ccc1OCc1ccc(C)cc1 2297500426 ZDLHVWYUYAELTI-UHFFFAOYSA-N 455.539 5.738 50 10 JKGE CCCC1CC([C@@H](Br)c2cc(Br)ccc2OCc2ccccc2)C1 2299501324 NESUFCYAAMXLOL-MYKUNDNFSA-N 452.230 7.290 50 10 JKGE Cn1nc([C@H](Br)c2sc(Cl)cc2I)c(Cl)c1Cl 2301085947 JPSQTDQPDNVFQM-YFKPBYRVSA-N 486.387 5.531 50 10 JKGE C[C@@H]1CCC[C@@]1(CBr)Cc1ccc(I)c(Br)c1 2306232082 PYMQZYULXADTFM-YGRLFVJLSA-N 472.002 5.798 50 10 JKGE Cc1cc(C=C(C#N)C(=O)Nc2cccc(Cl)c2Cl)c(C)n1-c1cccc(C(=O)O)c1 2313571262 QYYYUZOQNPFTSL-UHFFFAOYSA-N 454.313 5.645 50 10 JKGE Fc1cc(Cl)c(Br)c(Cl)c1[C@@H](Br)c1csnc1Br 2313744253 OCUOIYSQBZURSF-ZETCQYMHSA-N 498.824 6.598 50 10 JKGE N#CC(=Cc1ccc(-c2ccccc2)o1)c1nc(-c2cc3c(ccc4ccccc43)oc2=O)cs1 2314486553 DLNVWMOJTJWZDJ-UHFFFAOYSA-N 472.525 7.394 50 10 JKGE N#CC(=Cc1cn(-c2ccccc2)nc1-c1cccc2ccccc12)c1nc(-c2ccccc2)cs1 2314490595 ZDRBWCORTJXMQL-UHFFFAOYSA-N 480.596 7.880 50 10 JKGE Cc1ccc(NC(=O)C(C#N)=Cc2c(Oc3ccc(F)cc3)nc3c(C)cccn3c2=O)cc1C 2314534159 ZTKYMQBUWCCTLG-UHFFFAOYSA-N 468.488 5.097 50 10 JKGE CCOc1ccc(N2C(=O)[C@H](Cc3ccccc3)SC2=C(C#N)C(=O)Nc2cccc(C)c2)cc1 2314592450 UGMAAXXOUPGDDH-VWLOTQADSA-N 483.593 5.459 50 10 JKGE CC[C@@H](C)N1C(=O)C(=Cc2ccc(OCc3ccc(Cl)cc3Cl)cc2)C(C)=C(C#N)C1=O 2314611279 SBUWHGVMBISXMU-OAHLLOKOSA-N 469.368 5.963 50 10 JKGE CCN(C[C@](C)(CI)O[C@H]1CCC2(CCCC2)C1)C(=O)OC(C)(C)C 2320508355 MNIAANLGDIWQFF-LPHOPBHVSA-N 465.416 5.567 50 10 JKGE COc1ccc(C=CC(O)=C(C#N)c2nc(-c3ccc(Br)cc3)cs2)cc1OC 2331260471 LUCAHJCZGCEWGR-UHFFFAOYSA-N 469.360 6.096 50 10 JKGE COc1c(C)cc(Cl)cc1-c1csc(C(C#N)=C(O)c2ccc(Cl)cc2[N+](=O)[O-])n1 2331393805 TUJYRIHBPGJWQO-UHFFFAOYSA-N 462.314 6.292 50 10 JKGE COc1cc(C)c(-c2csc(C(C#N)=C(O)[C@H](C(C)C)N3C(=O)c4ccccc4C3=O)n2)cc1C 2331402687 GMEVFXNZRJBSDV-QHCPKHFHSA-N 487.581 5.549 50 10 JKGE CCOc1ccc(C=C(C#N)c2nc(-c3cc(C(C)(C)C)ccc3OC)cs2)cc1OCC 2331461153 PYUVQYJJXLHUDL-UHFFFAOYSA-N 462.615 6.978 50 10 JKGE Brc1cc(OCc2ccccc2)ccc1[C@H](Br)[C@H]1CCn2nccc2C1 2336077041 DWLLYILTIWIYJK-HRAATJIYSA-N 476.212 5.923 50 10 JKGE C[C@H]1[C@@H](Br)C[C@H]2CC[C@H]1N2Cc1ccc(I)c(Br)c1 2349848251 QZFSNELULUYVLO-XDYICZGBSA-N 499.028 5.190 50 10 JKGE COc1c([C@H](Br)c2c(Br)ncn2C)cc(Br)c(C)c1C 2362477668 CZLVUFBIHMZXGI-NSHDSACASA-N 466.999 5.055 50 10 JKGE COc1c(Br)cc(C)c([C@H](Br)CCCC(C)(F)F)c1Br 2365196781 QAIRYEQFBUQTJS-SECBINFHSA-N 478.997 6.790 50 10 JKGE Cc1cc(Br)c(F)c(Br)c1[C@H](Br)[C@@H]1CCCC12CCC2 2365225560 KVZITMZZLABWPS-GXFFZTMASA-N 469.030 7.066 50 10 JKGE Clc1ccc(CN2CC[C@H]3[C@H](CCC[C@H]3Br)C2)c(I)c1 2366704973 SIERTRSRAXPHRN-BYCMXARLSA-N 468.604 5.330 50 10 JKGE Cc1ccc([C@@H](C(=O)NC2CCCCC2)N(C(=O)CCl)[C@@H]2CCCc3ccccc32)cc1 3036102 BNQJRISAGVIZCC-RSXGOPAZSA-N 453.026 5.630 50 10 JKGE CCOc1ccc([C@H]2C(C#N)=C3N=C(N)c4ccccc4N3C3=C2C(=O)C[C@@H](c2ccccc2)C3)cc1 3654414 XDXBGKCLMNFUQW-KMRXNPHXSA-N 486.575 5.544 50 10 JKGE COc1cc(/C=C(/C#N)c2cccc(Cl)c2)ccc1OC(=O)COc1ccccc1Cl 31902391 JSOLJJWBQMPHEK-WQRHYEAKSA-N 454.309 6.051 50 10 JKGE CCOC(=O)/C(C#N)=C\c1ccc(OC(=O)/C(C#N)=C\c2ccc(C(C)C)cc2)c(OCC)c1 33378287 JDDMQOFKRDFMKQ-BWENGSMDSA-N 458.514 5.191 50 10 JKGE CC(C)c1ccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)Cc4cccc5ccccc45)ccc32)cc1 38649551 VIFNPDBWMMLIOE-PMERELPUSA-N 474.560 6.329 50 10 JKGE CCCCOc1ccccc1C(=O)Oc1ccc2c(c1)OC(N)=C(C#N)[C@H]2c1ccccc1OCCC 38681849 RMENNXCPRSANCE-NDEPHWFRSA-N 498.579 6.092 50 10 JKGE CCCCOc1ccccc1[C@H]1C(C#N)=C(N)Oc2cc(OC(=O)COc3ccc(C)cc3)ccc21 38682730 WXELICKYTLUCNO-MUUNZHRXSA-N 484.552 5.377 50 10 JKGE CCOc1ccccc1[C@H]1C(C#N)=C(N)Oc2cc(OC(=O)c3oc4c(C)c(C)ccc4c3C)ccc21 38687462 YSXYRYMABLXKRQ-AREMUKBSSA-N 494.547 6.194 50 10 JKGE CCCCOc1c(Cl)cc(C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@H]3c2ccco2)cc1Cl 38688498 CGCCEIAFOJNSNA-QFIPXVFZSA-N 499.350 6.203 50 10 JKGE O=C(NNc1ncnc(Nc2ccc(Oc3ccccc3)cc2)c1[N+](=O)[O-])c1cccc2ccccc12 40658762 JQDFXXUFAQQYCR-UHFFFAOYSA-N 492.495 5.831 50 10 JKGE CCc1ccccc1NC(=O)c1oc2c(c1C)/C(=N/NC(=O)c1ccc(Br)cc1)CCC2 40811761 HBGSIFYMEYVSFQ-VFCFBJKWSA-N 494.389 5.636 50 10 JKGE CCOc1ccc(NC(=O)c2oc3c(c2C)/C(=N/NC(=O)c2ccc4ccccc4n2)CCC3)cc1 40825900 XBXLHLZLPWNZIV-DFKUXCBWSA-N 482.540 5.258 50 10 JKGE CCCCN(C(=O)CCl)[C@@H](C(=O)NC1CCCCCC1)c1ccc(OC(C)C)c(OC)c1 97914870 GPOJFMNZBYDGFF-XMMPIXPASA-N 467.050 5.230 50 10 JKGE CC(C)(C)c1ccc(Oc2ccc(/C=C(/C#N)C(=O)Nc3ccc4c(c3)OCCO4)cc2[N+](=O)[O-])cc1 97990749 CISOLLYJYKTRDM-RGEXLXHISA-N 499.523 6.001 50 10 JKGE CC1=C(C#N)C(=O)N([C@@H](C)c2ccccc2)C(=O)/C1=C/c1ccc(-c2ccc([N+](=O)[O-])cc2)o1 101337796 ZONIRQTUTJTMKT-NIZGNDASSA-N 453.454 5.208 50 10 JKGE COc1cc2c(cc1N/C=C(/C#N)c1nc(-c3cccc([N+](=O)[O-])c3)cs1)oc1ccccc12 102417886 QWLZCCQCMDEYIB-SSZFMOIBSA-N 468.494 6.603 50 10 JKGE COc1cc(/C=C(/C#N)C(=O)Nc2nc3ccccc3s2)ccc1OCCOc1c(C)cccc1C 102444100 BYLGEALGIXSNHX-QNGOZBTKSA-N 499.592 5.925 50 10 JKGE Brc1ccc([C@H](Br)c2cc3c(cc2Br)OCCO3)cc1 109865521 PPTKVVFIAZCOKL-HNNXBMFYSA-N 462.963 5.467 50 10 JKGE Cc1ccc([C@H](Br)c2cc(Br)sc2Br)cc1Cl 109869841 RJKUAUWABUOLKJ-NSHDSACASA-N 459.428 6.719 50 10 JKGE COc1c(Br)cc(Cl)cc1[C@@H](Cl)c1ccc(Br)c(Cl)c1 129126851 XVHDHRNSPRHGOM-ZDUSSCGKSA-N 459.392 6.855 50 10 JKGE Cc1cc(Br)cc([C@@H](Br)c2cc3[nH]c(=O)[nH]c3cc2Br)c1 132000798 GBJFMCHOSNVONR-CQSZACIVSA-N 474.978 5.174 50 10 JKGE CC1=C(C#N)C(=O)N(CCc2ccccc2)C(=O)/C1=C\c1ccc(OCc2ccc(C)cc2)cc1 214350962 OJCUEKVCGGSCIH-IMRQLAEWSA-N 462.549 5.409 50 10 JKGE C[C@@]12CC3CC([C@@H](Br)c4cc(Cl)c(Br)s4)(C1)C[C@](C)(C3)C2 226737300 QCVGBCHMXLECMB-ATBPWKFESA-N 452.683 7.597 50 10 JKGE CCCOc1ccc([C@@H](Br)c2cc(Br)ccc2C)cc1Br 229005137 OROGNKHULOKDLK-QGZVFWFLSA-N 477.034 6.793 50 10 JKGE CCOC(=O)c1ccc(-c2ccc(C=NNC(=O)CSCc3ccccc3Cl)o2)cc1 252629487 UHCKNGZCZZRUIO-UHFFFAOYSA-N 456.951 5.160 50 10 JKGE COc1ccc(-c2nn(-c3ccccc3)cc2C=NNC(=O)CNc2cccc(C(F)(F)F)c2)cc1 254294487 ORYREUWHXUYVJT-UHFFFAOYSA-N 493.489 5.129 50 10 JKGE CCCCOc1ccc(C(=O)Oc2ccc(C=NNC(=O)COc3ccc(C)c(C)c3)cc2)cc1 254750510 RBAIZMIUBUOHKJ-UHFFFAOYSA-N 474.557 5.231 50 10 JKGE Brc1cc2c(cc1[C@H](Br)c1cccc(OCc3ccccc3)c1)CCO2 308439187 VHIMTOPWEAYNIJ-JOCHJYFZSA-N 474.192 6.447 50 10 JKGE FC1(F)CCCC[C@@H]1COc1c(Br)cc(CBr)cc1Br 381611697 PHGWSSOKNPWHSC-SNVBAGLBSA-N 476.981 6.311 50 10 JKGE CN(C[C@H]1CCN(Cc2ccccc2)C1)c1ccc(Br)cc1CBr 383121450 GFCSSDUHLSNKDH-QGZVFWFLSA-N 452.234 5.302 50 10 JKGE C[C@@H](Cl)c1nc2cc(I)ccc2n1C[C@H]1CCCN(Cc2ccccc2)C1 383779342 KQQDNUMJUFRVDU-AEFFLSMTSA-N 493.820 5.853 50 10 JKGE C[C@H](Cl)c1nc2cc(I)ccc2n1C[C@H]1CCCN(Cc2ccccc2)C1 383779348 KQQDNUMJUFRVDU-WMZOPIPTSA-N 493.820 5.853 50 10 JKGE CC1(C)CN(Cc2ccccc2)CC[C@@H]1n1c(CCl)nc2cc(I)ccc21 390528821 YFVZHSOGYGQXFR-FQEVSTJZSA-N 493.820 5.853 50 10 JKGE Fc1cc2c(cc1I)nc(CCCl)n2C[C@@H]1CCCN1Cc1ccccc1 390595619 AICSZLSWDJGIIU-INIZCTEOSA-N 497.783 5.226 50 10 JKGE Fc1c([C@@H](Br)c2sccc2I)cnn1-c1ccccc1 394222363 IAUGVWQFVVALAM-GFCCVEGCSA-N 463.113 5.162 50 10 JKGE Fc1cc(Br)c([C@H](Br)c2cccc(Br)c2F)c(F)c1F 398713787 FRULQBNISUGZAL-SNVBAGLBSA-N 476.887 6.252 50 10 JKGE C[C@@H]1[C@@H](Br)C[C@H]2CC[C@H]1N2C(=O)c1cc(Br)sc1Br 686196025 WTSHYAIKLBEVJH-GTDKDYCYSA-N 472.040 5.050 50 10 JKGE Cc1ccc([C@H](Br)c2cc(Br)c(Br)s2)cc1C(F)(F)F 692738466 BZJRRXLUCJIODB-NSHDSACASA-N 492.980 7.085 50 10 JKGE CCn1cc([C@@H](Br)c2cc(Br)c(C)cc2OC)nc1Br 698393764 XDYHLOHQADOLPT-ZDUSSCGKSA-N 466.999 5.229 50 10 JKGE Cn1cc([C@H](Br)c2cc(Br)sc2Br)nc1Br 698419390 MYQXBDNGJUMODA-SSDOTTSWSA-N 493.844 5.253 50 10 JKGE Fc1cc2c(cc1I)nc(CCl)n2CC[C@@H]1CCN(Cc2ccccc2)C1 723941404 XBXGZVQIUQDYFS-INIZCTEOSA-N 497.783 5.431 50 10 JKGE COc1cc(C=NNC(=O)CSc2c(Cl)c(Cl)c(Cl)c(Cl)c2Cl)ccc1O 1083847875 WQGWLFFGNHCNGK-UHFFFAOYSA-N 488.607 5.910 50 10 JKGE CCOc1ccc([C@H](O)CCC(=O)NN=Cc2cc(C)n(-c3ccc(C(C)(C)C)cc3)c2C)cc1 1084205613 CPORNIBOZGZLOS-HHHXNRCGSA-N 475.633 5.754 50 10 JKGE CCOc1cc(C=NNC(=O)Cc2ccccc2)ccc1Oc1ccc(C(F)(F)F)cc1[N+](=O)[O-] 1084531227 KNPZKHNEDARFTM-UHFFFAOYSA-N 487.434 5.497 50 10 JKGE O=C(N/N=C(\CNC(=O)c1cccc(Cl)c1)c1ccccc1)Nc1ccc(OC(F)(F)F)cc1 1088691954 LJNUWVUBTIPWAZ-TWKHWXDSSA-N 490.869 5.194 50 10 JKGE COc1ccc(Cl)cc1NC(=O)c1oc2c(c1C)C(=NNC(=O)c1ccc(F)cc1)CCC2 1772745430 ZGCIGAUFYPJGIG-UHFFFAOYSA-N 469.900 5.112 50 10 JKGE COc1ccc(Cl)cc1NC(=O)[C@@H](C)Oc1cccnc1NC(=O)Nc1ccc(SC#N)cc1 1858843864 RSJDIWLVATWSNW-CQSZACIVSA-N 497.964 5.367 50 10 JKGE N#CC1=C(N)Oc2c(c(C(F)(F)F)nn2Cc2cccc(Cl)c2)[C@@H]1c1cccc2ccccc12 1865682865 ZCXJOGKIFYSOAV-HXUWFJFHSA-N 480.877 5.975 50 10 JKGE CCCCOc1ccc([C@@H]2C(C#N)=C(N)Oc3c2c(CC)nn3-c2ccccc2)cc1OCC 1865686837 CEYOERGHWITOBS-XMMPIXPASA-N 458.562 5.230 50 10 JKGE CCOc1ccc([C@H]2C(C#N)=C(N)Oc3c2c(-c2ccccc2)nn3Cc2ccccc2)cc1OCC 1865689333 PYUXRLSQDWXOBZ-SANMLTNESA-N 492.579 5.614 50 10 JKGE CCCCOc1ccc([C@H]2C(C#N)=C(N)Oc3c2c(C)nn3Cc2cccc(Cl)c2)cc1OC 1865697374 QUINAOWPXHIHPE-DEOSSOPVSA-N 478.980 5.299 50 10 JKGE CC[C@H](NC(=O)C[C@H](c1ccc(F)cc1)c1cccc(F)c1)C(=O)Nc1ccc(SC#N)cc1 1866780224 IJEOGPLFNVDRSW-RPWUZVMVSA-N 479.552 5.593 50 10 JKGE COc1cccc([C@H](C)CC(=O)N[C@H](C(=O)Nc2ccc(SC#N)cc2)c2ccccc2)c1 1867113061 KHOFJYFXLRZMRW-CJAUYULYSA-N 459.571 5.258 50 10 JKGE Cc1ccccc1-c1nc(Nc2ccc(SC#N)cc2)cc(N2CCO[C@H](c3ccncc3)C2)n1 1868300638 GJVUQCWJFBDYKA-DEOSSOPVSA-N 480.597 5.742 50 10 JKGE COc1ccc(OC)c(/C=C2\Oc3c(ccc(OCc4ccc(CCl)cc4)c3C)C2=O)c1 1871436582 GOCOQODPGYNLQJ-CFRMEGHHSA-N 450.918 5.946 50 10 JKGE CC(C)(C)c1ccc(OCCC/C(O)=C(\C#N)c2nc(-c3cccc4ccccc34)cs2)cc1 1872752116 NXPWYPPZGZMLSO-RFBIWTDZSA-N 468.622 7.913 50 10 JKGE COc1cc(-c2csc(/C(C#N)=C(\O)Cc3c[nH]c4ccccc34)n2)c(OC)cc1Cl 1872754831 KZLMRMISMOWBGW-SILNSSARSA-N 451.935 5.997 50 10 JKGE COc1c(Cl)cc(-c2csc(/C(C#N)=C(\O)Cc3ccc(Cl)cc3)n2)cc1Cl 1872755709 AYPCSPXTTUBCDM-JXAWBTAJSA-N 451.762 6.814 50 10 JKGE COc1c(C)cc(Cl)cc1-c1csc(/C(C#N)=C(\O)CCN2C(=O)c3ccccc3C2=O)n1 1872756985 LIUCQORNSLVJIT-ZZEZOPTASA-N 479.945 5.260 50 10 JKGE COc1c(C)cc(Cl)cc1-c1csc(/C(C#N)=C(\O)CCCOc2ccccc2C)n1 1872757263 XMDUFBWWIWGGHZ-VZCXRCSSSA-N 454.979 6.741 50 10 JKGE CCCCCCCOc1ccc(-c2csc(/C(C#N)=C/c3ccc(OCCCC)cc3)n2)cc1 1872791219 CEYYWPXAWDQKQW-LKUDQCMESA-N 474.670 8.402 50 10 JKGE CC(C)c1ccc(-c2csc(/C(C#N)=C/c3ccccc3OCc3ccc(Cl)cc3)n2)cc1 1872792001 ZAMBLIIVLGBFIR-BUVRLJJBSA-N 471.025 8.230 50 10 JKGE CSCC[C@H](NC(=O)OC(C)(C)C)C(=O)N/N=C/c1ccc(OCc2cccc(Cl)c2)cc1 1873793208 CFHUILISTCMVNC-YYHBXHNPSA-N 492.041 5.016 50 10 JKGE Brc1ccsc1[C@H](Br)c1cc(I)sn1 1884461211 WDWCYSRWXOMPOQ-SSDOTTSWSA-N 464.973 5.056 50 10 JKGE C[C@@H]1CN(Cc2ccccc2)C[C@@H]1n1c(CCCl)nc2c(Br)cc(F)cc21 1912692199 DZUJNXOMUOQEOA-KUHUBIRLSA-N 450.783 5.412 50 10 JKGE CC(C)[C@H](CCl)N(Cc1ccccc1)C(=O)c1cc(Br)c(Br)s1 1915256759 DADSOLVCIXJENL-AWEZNQCLSA-N 479.665 6.179 50 10 JKGE ClCC1(N(Cc2ccccc2)Cc2ccc(Br)cc2Br)CCC1 1915762808 QUMMOSMVGUFKPI-UHFFFAOYSA-N 457.637 6.375 50 10 JKGE F[C@@H]1CC[C@H]([C@H](Br)c2c(Br)sc(Br)c2Br)C1 1924570473 KBXNZVSHFFUZSS-BFHQHQDPSA-N 499.863 6.610 50 10 JKGE Brc1sc(Br)c([C@H](Br)[C@@H]2CCCO2)c1Br 1924575968 IBQJBMVAPZDOBU-UJURSFKZSA-N 483.845 5.651 50 10 JKGE CC1(C)C[C@@]1(C)[C@@H](Cl)c1c(Br)sc(Br)c1Br 1924611554 CBNSERQUZQXEIH-CPCISQLKSA-N 451.449 6.752 50 10 JKGE Brc1sc(Br)c([C@@H](Br)C2(C3CC3)CC2)c1Br 1924615319 ZGFGZWAASMWAKZ-MRVPVSSYSA-N 493.884 6.662 50 10 JKGE Cc1cc([C@H](Br)c2c(Cl)sc(Br)c2Cl)c(F)cc1F 1925591158 VEPMGLBGYJKCBA-VIFPVBQESA-N 450.957 6.888 50 10 JKGE FC(F)C(F)(F)C[C@@H](Cl)c1c(Br)sc(Br)c1Br 2001809522 TYCJIMOOXXNUMR-UWTATZPHSA-N 483.344 6.606 50 10 JKGE Cc1c(Br)ccc([C@H](Br)c2cscc2Cl)c1Br 2024280573 AFFHTPBHSNDTJK-LBPRGKRZSA-N 459.428 6.719 50 10 JKGE Brc1cc2c(cc1[C@H](Br)c1sncc1Br)CCO2 2028525175 QSCAMFWSGJKRFS-NSHDSACASA-N 453.981 5.087 50 10 JKGE Fc1ccc([C@H](Br)c2csc(Br)c2Br)c(F)c1Cl 2032953298 GWNCLQUSIXROGN-ZETCQYMHSA-N 481.381 6.689 50 10 JKGE COc1ccc(Br)cc1[C@@H](Cl)c1csc(Br)c1Br 2032958836 MZUQBMQGKJJNAZ-LLVKDONJSA-N 475.427 6.372 50 10 JKGE Cc1nn(-c2ccccc2)c2c1[P@](=O)(c1ccccc1)C(=C1N(C)c3ccccc3C1(C)C)C=N2 2040465246 FGKLFSGVWKOSLC-DHUJRADRSA-N 478.536 5.850 50 10 JKGE COc1c(Cl)cc(Br)cc1[C@@H](Br)c1cscc1Br 2082860379 AZGRLJYDOZRRAG-LLVKDONJSA-N 475.427 6.419 50 10 JKGE Clc1ccc(I)c([C@H](Br)c2cc3sccc3s2)c1 2084759500 JNDNGAAWVXMCPF-ZDUSSCGKSA-N 469.594 6.705 50 10 JKGE COc1cc(F)c(Cl)cc1[C@@H](Br)c1sccc1I 2086229720 BBKRHCURLAIOSP-LLVKDONJSA-N 461.521 5.638 50 10 JKGE COc1ccc([C@@H](Br)c2c(Br)sc(C)c2C)c(Br)c1 2101004600 WYQPSOBXZDILTB-CYBMUJFWSA-N 469.036 6.383 50 10 JKGE Cc1cc(Br)c([C@H](Br)C[C@H]2COC(C)(C)C2)cc1Br 2103185476 BVZYSWWTPWXEQY-QMTHXVAHSA-N 455.028 6.161 50 10 JKGE Cc1nc([C@@H](Cl)c2cc(I)cc3c2OCC3)c(Br)s1 2113184997 LHNABYITUGXFRQ-JTQLQIEISA-N 470.557 5.082 50 10 JKGE COc1ccc(Cl)cc1[C@H](Br)c1cc(I)ccc1F 2113358413 QKBRUENCNRFTNK-CQSZACIVSA-N 455.492 5.577 50 10 JKGE CN(Cc1ccc(Br)cc1Br)[C@@H](CCBr)C(F)(F)F 2121999755 ALOXOPWWLRYPRS-NSHDSACASA-N 467.949 5.359 50 10 JKGE CC1(C)OCCC[C@]1(CBr)Cc1c(Br)cccc1Br 2130451375 FFRTYFJXGPYONM-OAHLLOKOSA-N 455.028 5.724 50 10 JKGE Cc1cc(Br)c(C)c([C@@H](Cl)c2scc(Cl)c2Cl)c1Br 2136384068 LNTFCLUPGGKHBD-GFCCVEGCSA-N 463.449 7.525 50 10 JKGE Cc1cc(C)c(C)c([C@H](Br)c2c(Br)sc(Br)c2Cl)c1 2138304266 CIGCXLKWXLQFKU-NSHDSACASA-N 487.482 7.336 50 10 JKGE Cc1c(Br)ccc([C@H](Br)[C@H]2C[C@]2(C)C(F)(F)F)c1Br 2138871323 NHADRKRNECAOLW-ZHAHWJHGSA-N 464.945 6.545 50 10 JKGE CCn1ncc(Br)c1[C@@H](Br)c1scc(C(F)(F)F)c1Br 2150668359 LOMLMZJWXABPNY-MRVPVSSYSA-N 496.972 5.993 50 10 JKGE FC(F)(F)c1cccc(Cl)c1[C@@H](Br)c1sc(Cl)cc1Br 2154480743 XQWJCLGBVRFEMH-SNVBAGLBSA-N 468.947 7.321 50 10 JKGE CC(C)(C)C[C@@H](CBr)CNC(=O)c1ccc(I)c(Cl)c1 2156326710 QOMJFLKFNWFTGT-JTQLQIEISA-N 472.592 5.122 50 10 JKGE COc1c(C)cc(Br)c(C)c1[C@@H](Br)c1scc(C)c1Br 2157035885 PVDGIFFVINAYBV-CYBMUJFWSA-N 483.063 6.691 50 10 JKGE C[C@@H]1CC[C@H](CCC(CBr)(CBr)c2cccc(Br)c2)O1 2161109058 BBFXNSYTHAQLOH-IUODEOHRSA-N 469.055 5.824 50 10 JKGE CN(Cc1c(Br)cccc1Br)C1(CBr)CC2(CCC2)C1 2164570279 IKNLQCHLKWKUFI-UHFFFAOYSA-N 466.055 5.741 50 10 JKGE O=[N+]([O-])c1cc(Br)c(OC[C@@H](CBr)CC2CC2)c(Br)c1 2169174212 YACBYLXOODNELA-SECBINFHSA-N 471.971 5.310 50 10 JKGE CC(C)(C)OC(=O)N1CCN(CC2(CBr)CCCCCC2)[C@H](C(F)(F)F)C1 2186686146 ZTAXREIIEOQKQX-HNNXBMFYSA-N 457.375 5.206 50 10 JKGE Cl[C@H]1CCCC[C@@H](c2sc(Br)c(Br)c2Br)C1 2212190428 XKXYWGXZUDXXSE-RQJHMYQMSA-N 451.449 6.691 50 10 JKGE Cc1cc(Br)sc1[C@H](Br)c1sc(C)c(C)c1Br 2215948097 VCYDKZGAOLWCFK-JTQLQIEISA-N 459.066 6.744 50 10 JKGE Cl[C@@H](Cc1sc(Br)c(Br)c1Br)C[C@@H]1CCCO1 2216421639 RXCNBZFHBSRWPP-RQJHMYQMSA-N 467.448 5.755 50 10 JKGE Cc1cc(Br)c([C@H](Cl)c2ncsc2Br)c(C)c1Br 2220156517 OYADUBBDFKFSBT-JTQLQIEISA-N 474.443 6.376 50 10 JKGE CC(C)[C@@H]1CCC[C@@H]1[C@@H](Br)c1cc(Br)c(Br)cc1F 2225619203 FVCPRCCXHZDZQJ-AMJWSMQMSA-N 457.019 6.859 50 10 JKGE Fc1cc(Br)c(Br)cc1[C@@H](Br)C1CC(C2CCC2)C1 2225619262 GRPXGOIXJDBRRF-HEEBCNDISA-N 455.003 6.613 50 10 JKGE C[C@H](Cl)c1nc2cc(Br)c(Br)cc2n1[C@H]1CC[C@H]1OCc1ccccc1 2225697646 SERAXMDFVQNFSE-OYYNGEPBSA-N 498.646 6.781 50 10 JKGE Cc1sc(Br)c(C)c1[C@H](Br)c1cc(Cl)c(C)c(Br)c1 2225856462 CRKVAOAECDVDDB-CYBMUJFWSA-N 487.482 7.336 50 10 JKGE Cc1cccc([C@@H](Br)c2c(Br)cc(Cl)c(Cl)c2Cl)c1F 2232514506 VKSIUPJVDLOUMU-LLVKDONJSA-N 461.383 7.341 50 10 JKGE C[C@H]1C[C@H]([C@@H](Br)c2c(Br)cc(Cl)c(Cl)c2Cl)C[C@@H](C)O1 2232521899 VXPMRKBYPAYMGI-BSFVXNEUSA-N 465.440 7.049 50 10 JKGE Fc1cc(Br)c(Br)cc1[C@H](Br)c1c(F)ccc(F)c1F 2233992832 SKNNNPYUELXCNK-LBPRGKRZSA-N 476.887 6.252 50 10 JKGE Cc1cc(Br)c([C@H](Br)C2CCC(C)(C)CC2)c(C)c1Br 2235601422 WASCMZQFEPHTQG-MRXNPFEDSA-N 467.083 7.481 50 10 JKGE Cc1c(Br)cccc1[C@@H](Br)c1c(F)cc(F)c(Br)c1F 2236106948 CRSHDMDMLVRILL-GFCCVEGCSA-N 472.924 6.422 50 10 JKGE C[C@@H](c1cc(Br)c(Br)s1)[C@@H](CBr)NC(=O)OC(C)(C)C 2241450981 YZBYOPZYUYMUQZ-VXNVDRBHSA-N 492.071 5.665 50 10 JKGE COc1cccc([C@@H](Br)c2sc(Br)cc2Br)c1Cl 2256321232 NITOCNBMGBTVBZ-SNVBAGLBSA-N 475.427 6.419 50 10 JKGE FC(F)[C@@H]1CCC[C@@H]1[C@H](Br)c1c(Br)sc(Br)c1Cl 2257870273 UKGUFRWXMQYTOA-BFHQHQDPSA-N 487.429 7.044 50 10 JKGE CC(C)Cc1ccc([C@H](Br)c2ccc(Cl)c(I)c2)s1 2268283771 IQHWOUBTHSOZCJ-OAHLLOKOSA-N 469.613 6.689 50 10 JKGE COCC1([C@@H](Br)c2cc(Br)ccc2Br)CC(F)(F)C1 2278204605 MJASCOGCQOVBHR-NSHDSACASA-N 462.954 5.710 50 10 JKGE CC(C=NNC(=O)CSc1nnc(SCc2ccccc2Cl)s1)=Cc1ccccc1 2293724495 LJHAETJSTOPXET-UHFFFAOYSA-N 475.064 5.781 50 10 JKGE COC(=O)c1cc(C)sc1NC(=O)C(C#N)=Cc1cccn1Cc1ccc(Cl)cc1Cl 2295412798 JVEUVQQDWADQDW-UHFFFAOYSA-N 474.369 5.545 50 10 JKGE Cc1ccc(NC(=O)C(C#N)=C2S[C@H](Cc3cccc(C)c3)C(=O)N2c2ccc(Cl)cc2)cc1 2296834853 RHMMGHYHAGRFQW-XMMPIXPASA-N 488.012 6.022 50 10 JKGE COc1cc(C=C(C#N)C(=O)Nc2cccc3ncccc23)ccc1OCc1ccc(F)cc1 2297539093 JUNMLVXDCQQNCO-UHFFFAOYSA-N 453.473 5.507 50 10 JKGE N#CC(=Cc1cc(-c2ccccc2)n(-c2ccccc2)c1-c1ccccc1)C(=O)NCc1ccccc1 2297556212 RBMQFNHUMXCZJN-UHFFFAOYSA-N 479.583 7.035 50 10 JKGE Brc1cc(OCc2ccccc2)ccc1[C@H](Br)C[C@H]1C[C@H]1C1CC1 2299503257 DIYSUUPTYUGRMX-LSTHTHJFSA-N 450.214 6.900 50 10 JKGE Brc1ccc(OCc2ccccc2)c([C@H](Br)C[C@H]2C[C@H]3C[C@H]3C2)c1 2299505437 WVNVHKQLYDPMHB-PDOICOKGSA-N 450.214 6.900 50 10 JKGE CC1(C)CC[C@@H](COC2(CI)CCN(C(=O)OC(C)(C)C)CC2)C1 2302706307 GLSKUIKMGODHAK-OAHLLOKOSA-N 451.389 5.034 50 10 JKGE Cc1cc(C=C(C#N)C(=O)Nc2cccc(Cl)c2Cl)c(C)n1-c1ccc(Cl)cc1Cl 2313570987 KVNAIFQFDFMXLB-UHFFFAOYSA-N 479.194 7.253 50 10 JKGE CCc1ccc(Oc2nc3c(C)cccn3c(=O)c2C=C(C#N)C(=O)Nc2cccc(C)c2)cc1 2314531466 BFFCGXIJAVDDAU-UHFFFAOYSA-N 464.525 5.212 50 10 JKGE CC1=C(C#N)C(=O)N(CC(C)C)C(=O)C1=Cc1cn(-c2ccccc2)nc1-c1ccc(C)cc1 2314610532 JAOSDNOPZVTIKQ-UHFFFAOYSA-N 450.542 5.096 50 10 JKGE COc1cc(C=C2C(=O)N([C@@H](C)c3ccccc3)C(=O)C(C#N)=C2C)ccc1OCc1ccc(F)cc1 2314619013 YEHVCCACGOQTKA-FQEVSTJZSA-N 496.538 5.767 50 10 JKGE CCOc1ccc(-c2c(C)sc(NC(=O)C(C#N)=Cc3ccc(Cl)cc3)c2C(=O)OC)cc1 2314754468 SUMUIVWOYFJAOL-UHFFFAOYSA-N 480.973 6.108 50 10 JKGE CCOC(=O)C(C#N)=Cc1cccc(OC(=O)C=Cc2ccc(OCCC(C)C)c(OC)c2)c1 2314770734 WJNGCQGQFXQRJY-UHFFFAOYSA-N 463.530 5.209 50 10 JKGE Fc1c(Br)cc(Cl)c([C@@H](Br)[C@@H]2[C@H]3COC[C@H]32)c1Br 2315453850 QPGDYKWVJVTVMI-BCDWUSSUSA-N 463.366 5.333 50 10 JKGE Cc1sc(Br)c([C@@H](Cl)c2c(Br)c(Br)nn2C)c1C 2316732809 ZURIONCQYLZFGT-MRVPVSSYSA-N 477.447 5.714 50 10 JKGE O=C(N[C@@H](CCBr)COCc1ccccc1)c1cc(F)c(Br)cc1Cl 2320361515 OLXFQCVXYZVHHW-ZDUSSCGKSA-N 493.598 5.342 50 10 JKGE CCOc1ccc(C=CC(=O)Oc2ccc(C=C(C#N)c3ccccc3F)cc2OC)cc1OC 2320506774 RFOUIYZWQDUSOF-UHFFFAOYSA-N 473.500 5.925 50 10 JKGE N#CC(=Cc1cccc(OC(=O)CCCOc2ccc(Cl)cc2Cl)c1)c1ccccc1 2320507141 ZOROHSSMHULSJR-UHFFFAOYSA-N 452.337 6.822 50 10 JKGE C[C@@H](NC(=O)C(C#N)=CNc1ccc(Cl)c(C(F)(F)F)c1)C12CC3CC(CC(C3)C1)C2 2324900462 TUSPFBOIEUALTO-ZHHULCEESA-N 451.920 5.899 50 10 JKGE CCOc1ccc(C)cc1[C@@H](C)NC(=O)C(C#N)=CNc1ccc(Cl)cc1C(F)(F)F 2325075969 UOHWDCHZGILTEL-CQSZACIVSA-N 451.876 5.763 50 10 JKGE CCN(CC)C[C@@H](Br)CCc1ccc(I)c(Br)c1 2325208450 HLGNVLQNWYNZQO-LBPRGKRZSA-N 489.033 5.092 50 10 JKGE COc1cccc(C=C(C#N)c2nc3ccccc3n2C)c1OCc1ccc(Cl)c(Cl)c1 2331019660 JJIWUFLUDJTSQL-UHFFFAOYSA-N 464.352 6.532 50 10 JKGE CCOC(=O)c1c(-c2ccccc2)csc1NC(=O)C(C#N)=Cc1ccc(OCCOC)cc1 2331123604 WBCKUPRGHXJHRW-UHFFFAOYSA-N 476.554 5.163 50 10 JKGE COCCCN1C(=O)c2ccc(C(O)=C(C#N)c3nc(-c4ccc5c(c4)CCCC5)cs3)cc2C1=O 2331240121 TVNRZCXAVDVWCG-UHFFFAOYSA-N 499.592 5.271 50 10 JKGE Cc1ccc(-c2csc(C(C#N)=C(O)[C@@H](C(C)C)N3C(=O)c4ccccc4C3=O)n2)c(C)c1 2331308941 DDCCEESNUXKCMF-JOCHJYFZSA-N 457.555 5.540 50 10 JKGE COc1cc(C=CC(O)=C(C#N)c2nc(-c3cc(C)ccc3C)cs2)cc(Br)c1OC 2331319502 BDFBMJSOHPGMAQ-UHFFFAOYSA-N 497.414 6.713 50 10 JKGE CCc1cccc(CC)c1N1C[C@@H](C(O)=C(C#N)c2nc(-c3ccc4c(c3)OCO4)cs2)CC1=O 2331335751 KIDHTYUXROAOBK-IBGZPJMESA-N 487.581 5.509 50 10 JKGE COc1ccc(-c2csc(C(C#N)=C(O)c3c(Cl)ccc(Cl)c3Cl)n2)c(OC)c1OC 2331412836 LLBFYWHWRZCAOV-UHFFFAOYSA-N 497.787 6.746 50 10 JKGE COc1cc(C=C(C#N)c2nc(-c3cccc(Cl)c3)cs2)ccc1OCCc1ccccc1 2331439813 PYQDNOOWVOEBOO-UHFFFAOYSA-N 472.997 7.158 50 10 JKGE Fc1c(Cl)cccc1C[C@H](Cl)c1cc(Br)ccc1OCc1ccccc1 2336075575 QHYVSWHCZPYTQE-IBGZPJMESA-N 454.166 7.343 50 10 JKGE CC(C)[C@@H](Br)C(C)(C)CNC(=O)c1csc(Br)c1Br 2340299527 UCQNWGLOGYBXMQ-SNVBAGLBSA-N 476.072 5.449 50 10 JKGE Cc1cc(Br)c(C(C)C)cc1[C@H](Br)c1csc(Br)c1 2352801697 JGVFPWGADGKVSC-OAHLLOKOSA-N 467.064 7.189 50 10 JKGE Cc1cc(Br)c(CBr)c(N(C)[C@H]2C[C@@H]3C[C@@H](OCc4ccccc4)C[C@H]23)c1 2357088755 CLHHHRKRJGVUIY-YWNPBTLJSA-N 493.283 6.473 50 10 JKGE Fc1cc(Cl)c(Br)c(Cl)c1[C@H](Br)[C@@H]1CC[C@H]2[C@H]1C2(F)F 2360419315 YHUYEBGYOMGRDY-MAMGYMNZSA-N 452.923 6.622 50 10 JKGE Cc1cc(I)c(O[C@H]2C[C@H](Br)C23CCCCC3)cc1Cl 2361701658 GEKCDQVDVPFUQZ-GJZGRUSLSA-N 469.588 6.118 50 10 JKGE Clc1ccc(I)cc1CN1CCC[C@@]2(CBr)CCC[C@@H]12 2380508366 GJEQDHVPUWTYTG-HZPDHXFCSA-N 468.604 5.474 50 10 JKGE CC(C)(C)C1CCC(CBr)(Cc2ncc(I)cn2)CC1 2381633684 IEUKAZNKZFEFIB-UHFFFAOYSA-N 451.190 5.241 50 10 JKGE N#C/C(=C/c1coc2c(Cl)cc(Cl)cc2c1=O)C(=O)Nc1cccc(C(F)(F)F)c1 4510679 FBHGTCOYFWNGCS-WMZJFQQLSA-N 453.203 5.664 50 10 JKGE CCCCCCOc1ccccc1C(=O)NNC(=O)[C@@H](C)Oc1ccc(Cl)cc1Cl 14032656 DYHZIYDCOATDJV-OAHLLOKOSA-N 453.366 5.181 50 10 JKGE N#C/C(=C/c1ccc(Cl)cc1Cl)C(=O)Nc1ncc(Cc2ccc(Br)cc2)s1 15357219 VICXHQAOPDYICC-ZSOIEALJSA-N 493.213 6.349 50 10 JKGE CCOc1ccc2ccccc2c1/C=N/NC(=O)/C(=C/c1cccs1)NC(=O)c1ccccc1 20074953 SEVDSDKYFIYVMQ-WTIJGKOKSA-N 469.566 5.221 50 10 JKGE N#C/C(=C\c1ccc(OCc2ccccc2)cc1)c1nc(CCN2C(=O)c3ccccc3C2=O)cs1 33872486 IRZHHOXNXVWZEP-CJLVFECKSA-N 491.572 5.625 50 10 JKGE N#C/C(=C\c1ccc(-c2ccc([N+](=O)[O-])cc2Cl)o1)C(=O)Nc1cc(Cl)cc(Cl)c1 35518956 AOOANLDRANHYGL-VZUCSPMQSA-N 462.676 6.361 50 10 JKGE CC(C)c1ccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)COc4ccc(C(C)(C)C)cc4)ccc32)cc1 38649577 HQJGCMFFPWZFMV-GDLZYMKVSA-N 496.607 6.310 50 10 JKGE CCCCOc1ccc(C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@@H]3c2ccc(OCCC)cc2)cc1 38650663 TYTUCRSVBHAGAS-MUUNZHRXSA-N 498.579 6.092 50 10 JKGE CCc1ccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)COc4cccc(C)c4C)ccc32)cc1 38677437 WLMJRPUZPSMHBN-MHZLTWQESA-N 454.526 5.068 50 10 JKGE C[C@H](Oc1ccccc1F)C(=O)Oc1ccc2c(c1)OC(N)=C(C#N)[C@@H]2c1c(F)cccc1Cl 38680417 BFNUHGNNUKOOTC-WHEQGISXSA-N 482.870 5.209 50 10 JKGE CSc1ccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4ccc(OCC(C)C)cc4)ccc32)cc1 38682451 QGDGMSQIYBFOSC-SANMLTNESA-N 486.593 5.881 50 10 JKGE Cc1cccc(C(=O)N/N=C2\CCCc3oc(C(=O)Oc4ccc(Cl)cc4Cl)c(C)c32)c1 40811408 UQLFTCSGCNRWIN-OVVQPSECSA-N 471.340 5.893 50 10 JKGE Cc1c(C(=O)Nc2ccc(/N=N/c3ccccc3)cc2)oc2c1/C(=N/NC(=O)c1ccccn1)CCC2 40814306 SJAXICCNWQRJDN-QLTTUCRNSA-N 492.539 6.121 50 10 JKGE CCOc1ccc([C@@H](O)CCC(=O)N/N=C\c2ccc(OCc3cccc(F)c3)c(OCC)c2)cc1 58893317 DVIDHPMJAOZVCT-NYFJFQCHSA-N 494.563 5.166 50 10 JKGE Cc1c(Cl)cccc1NC(=O)/C(C#N)=C/c1ccc(OCc2ccc(Cl)cc2Cl)cc1 59292072 DDDNUMDNFCQNDI-WOJGMQOQSA-N 471.771 7.080 50 10 JKGE O=C(N/N=C/c1cc(Cl)c(OCc2cccc(F)c2)c(Cl)c1)c1cc2ccccc2o1 59303997 NZWZKVVCGCQFFQ-KKMKTNMSSA-N 457.288 6.222 50 10 JKGE CCOc1cc(/C=C(/C#N)C(=O)Nc2ccc(C)cc2)cc(Cl)c1OCc1ccccc1C#N 59335576 CATRQTSRQGJTDN-UUYOSTAYSA-N 471.944 6.043 50 10 JKGE N#C/C(=C/c1cn(Cc2cccc(Cl)c2)c2ccccc12)C(=O)Nc1ccc([N+](=O)[O-])cc1 98063429 GXTHXHXXKXVAIP-AQTBWJFISA-N 456.889 5.797 50 10 JKGE COc1cc(Br)c([C@H](Br)c2ccc(Br)cc2Cl)cc1OC 109860157 LJPDNCIWOPRAPN-OAHLLOKOSA-N 499.424 6.367 50 10 JKGE CCCCOC(=O)c1ccccc1NC(=O)/C(C#N)=C\Nc1ccc(Oc2ccccc2)cc1 217240336 NWWXFBUHOJHGFY-VXPUYCOJSA-N 455.514 5.894 50 10 JKGE CCCCOC(=O)c1ccccc1N/C=C(/C#N)C(=O)Nc1ccccc1Sc1ccccc1 217243502 NINMDPCPMVJZGX-VXPUYCOJSA-N 471.582 6.253 50 10 JKGE N#C/C(=C/NCCc1cccc(Br)c1)C(=O)NC1CCCCCCCCCCC1 217260182 JJTOGKWONDQBSX-VZCXRCSSSA-N 460.460 5.778 50 10 JKGE C[C@@]12CC3CC([C@@H](Br)c4cc(Br)sc4Br)(C1)C[C@](C)(C3)C2 227659284 FICUHWLHKJBKNV-ATBPWKFESA-N 497.134 7.706 50 10 JKGE CCCOc1ccc([C@@H](Cl)c2ccccc2I)cc1Br 229002115 SPVXHZNAVURHJW-MRXNPFEDSA-N 465.556 6.171 50 10 JKGE CC(C)CCC[C@H](C)[C@@H]1CC[C@@H]2[C@H]3CC([N+](=O)[O-])=C4C[C@@H](Cl)CC[C@]4(C)[C@@H]3CC[C@]12C 252588336 AARKHEFUGCKAGW-DNWSUXJBSA-N 450.107 8.240 50 10 JKGE COc1cc(OC)c(OC)cc1C=NNC(=O)c1ccc(COc2ccccc2-c2ccccc2)cc1 254797282 DIAHTAZPHIATRI-UHFFFAOYSA-N 496.563 5.722 50 10 JKGE Cc1c(Br)cccc1[C@H](Br)c1cc2c(cc1Br)OCC2 308417284 PKXVBBHRKJYYPY-INIZCTEOSA-N 460.991 5.939 50 10 JKGE Cl[C@H](c1cccc(I)c1)c1cc(I)cc2c1OCC2 311395804 SFLFHSNGEXHBSH-CQSZACIVSA-N 496.513 5.159 50 10 JKGE O=[N+]([O-])c1sc(CBr)cc1N1CCC2(CCN(Cc3ccccc3)CC2)C1 404293203 MEGSWSVGQJSWTG-UHFFFAOYSA-N 450.402 5.044 50 10 JKGE CC(C)(C)OC(=O)Nc1ccc([C@H]2CCN(CCO[Si](C)(C)C(C)(C)C)CCO2)cc1 616596542 ZUGAYNDQPWLQRR-OAQYLSRUSA-N 450.696 5.819 50 10 JKGE CC(C)(C)[Si](C)(C)OCCc1cccc([C@@H]2COCCN(S(=O)(=O)c3ccccc3)C2)c1 616664453 TXJHLFDFVSOONH-QHCPKHFHSA-N 475.727 5.056 50 10 JKGE Fc1ccc2nc(CCl)n(-c3ccccc3I)c2c1Br 689721940 DNAQLWJDFHQUSQ-UHFFFAOYSA-N 465.491 5.271 50 10 JKGE CC(=NNC(=O)COc1ccc(Br)cc1C)C(c1ccccc1)c1ccccc1 1083920267 CIMXDAPMVSVNFZ-UHFFFAOYSA-N 451.364 5.461 50 10 JKGE Cc1cccc(NC(=O)/C(C#N)=C/c2cc(Br)c(Sc3ccc(Cl)cc3)o2)c1C 1083922053 UZCQANUNFWJUPS-XNTDXEJSSA-N 487.806 7.009 50 10 JKGE COc1cc(C=NNC(=O)COc2ccc(Cl)cc2)ccc1OC(=O)c1cccc2ccccc12 1083944778 ALRIOIOSYNFTNN-UHFFFAOYSA-N 488.927 5.250 50 10 JKGE O=C(CSc1c(Cl)c(Cl)c(Cl)c(Cl)c1Cl)NN=Cc1ccccc1O 1084096000 AWJLGRBDKSXHCR-UHFFFAOYSA-N 458.581 5.902 50 10 JKGE CCOc1cc(C=NNC(=O)c2ccccc2)ccc1Oc1ccc(C(F)(F)F)cc1[N+](=O)[O-] 1084330848 VLNHWBSSCQLDFO-UHFFFAOYSA-N 473.407 5.569 50 10 JKGE COc1cc(C=NNC(=O)CSc2ccc(Cl)cc2)ccc1OCc1ccc(C)cc1 1084481945 PNQJIYUNVSIEDK-UHFFFAOYSA-N 454.979 5.478 50 10 JKGE COc1ccc(/C(C#N)=C/c2ccc(OC(=O)c3ccc(Br)o3)cc2)cc1OC 1615099326 CZXDLUBCIFSGBJ-LFIBNONCSA-N 454.276 5.343 50 10 JKGE Cc1c(C(=O)Nc2ccc(Cl)cc2Cl)oc2c1C(=NNC(=O)c1ccccc1O)CCC2 1772751946 POEJUWUVIRJQRJ-UHFFFAOYSA-N 472.328 5.323 50 10 JKGE CC(C)c1ccc([C@H]2C(C#N)=C(N)Oc3c2c(-c2ccccc2)nn3-c2ccc(Cl)cc2)cc1 1865686683 ZKYJRWBFJWCGBE-DEOSSOPVSA-N 466.972 6.534 50 10 JKGE COc1ccc(OC)c([C@H]2C(C#N)=C(N)Oc3c2c(-c2ccccc2)nn3-c2cccc(Cl)c2)c1 1865692035 HSESCMGWZBOZLF-QHCPKHFHSA-N 484.943 5.428 50 10 JKGE CCc1nn(Cc2ccc(Cl)c(Cl)c2)c2c1[C@H](c1ccc(F)cc1F)C(C#N)=C(N)O2 1865701977 JPNQCGREMHGQBR-LJQANCHMSA-N 461.299 5.297 50 10 JKGE CCCn1nc(-c2ccccc2)c2c1OC(N)=C(C#N)[C@@H]2c1ccccc1OCc1ccccc1Cl 1865703285 SHPXJZRPBADCMH-VWLOTQADSA-N 496.998 6.411 50 10 JKGE Cc1ccc(-n2nc(C)c3c2OC(N)=C(C#N)[C@@H]3c2c(OCc3ccccc3)ccc3ccccc23)cc1 1865704534 YEQUFSRRLPAQMK-PMERELPUSA-N 498.586 6.440 50 10 JKGE Cc1nn(Cc2c(F)cccc2Cl)c2c1[C@@H](c1ccc(C(F)(F)F)cc1)C(C#N)=C(N)O2 1865711478 ZMFPEOQFYXOTPI-IBGZPJMESA-N 462.834 5.269 50 10 JKGE COc1ccc([C@@H]2C(C#N)=C(N)Oc3c2c(C(F)(F)F)nn3-c2cccc3ccccc23)cc1 1865712927 MDYDMRSWEASHIQ-HXUWFJFHSA-N 462.431 5.271 50 10 JKGE COc1ccc(/C(C)=N/NC(=O)c2ccc(-c3ccc(Cl)c(Cl)c3)nc2C)c(OC)c1 1865763499 ONAYNVNDPOGKDF-MZJWZYIUSA-N 458.345 5.535 50 10 JKGE N#C/C(=C\c1cccc(Br)c1)C(=O)NC[C@@H](c1c(F)cccc1Cl)N1CCCC1 1866130612 CXOPVVGKEKPHCJ-PRDNPTHXSA-N 476.777 5.102 50 10 JKGE N#CSc1ccc(NC(=O)[C@@H](Cc2ccc(O)cc2)NC(=O)C[C@H](c2ccccc2)C2CC2)cc1 1866712593 RWUSAHQUYSREKK-CLJLJLNGSA-N 485.609 5.215 50 10 JKGE CN(C)c1ccc(/C(O)=C(\C#N)c2nc(-c3ccc(Cl)cc3Cl)cs2)cc1[N+](=O)[O-] 1872744840 KOCZBHOBNKNRFA-RGEXLXHISA-N 461.330 6.041 50 10 JKGE N#C/C(=C(/O)COc1ccc(Cl)cc1Cl)c1nc(-c2cccc(Br)c2)cs1 1872746124 SZQBTGAFPQYFHI-VKAVYKQESA-N 482.186 6.751 50 10 JKGE N#C/C(=C(/O)c1ccccc1Br)c1nc(-c2ccc(Br)cc2)cs1 1872746793 YLFBUZOJBRSMOT-VKAVYKQESA-N 462.166 6.285 50 10 JKGE CC[C@H](C)[C@H](/C(O)=C(\C#N)c1nc(-c2ccc3c(c2)OCO3)cs1)N1C(=O)c2ccccc2C1=O 1872752748 QJOKYFZJCBZVGG-ZYLPHQSXSA-N 487.537 5.042 50 10 JKGE C[C@H](c1ccccc1)N1C[C@H](/C(O)=C(\C#N)c2nc(-c3cc(Cl)ccc3Cl)cs2)CC1=O 1872758312 UWWJFJSVNZPTNN-YVPPRRECSA-N 484.408 6.519 50 10 JKGE COc1c(Cl)ccc(Cl)c1/C(O)=C(\C#N)c1nc(-c2ccc(OC)c3ccccc23)cs1 1872758595 HXHIJQXORWRWGV-JWGURIENSA-N 483.376 7.237 50 10 JKGE N#C/C(=C\c1ccc(OCc2ccccc2Cl)cc1)c1nc(-c2ccccc2Cl)cs1 1872780745 JVMXPUYKYREQBO-CPNJWEJPSA-N 463.389 7.760 50 10 JKGE N#C/C(=C\c1ccc(OC(=O)c2ccccc2)cc1)c1nc(-c2ccc3ccccc3c2)cs1 1872782770 UXPURQXHCZECNC-PCLIKHOPSA-N 458.542 7.247 50 10 JKGE N#C/C(=C\c1ccc(OCc2ccccc2Cl)cc1)c1nc(-c2ccc(F)cc2F)cs1 1872784117 CZAYRBYHURDHPZ-WOJGMQOQSA-N 464.924 7.385 50 10 JKGE C[C@@H](c1ccccc1)N1C[C@H](/C(O)=C(\C#N)c2nc(-c3cccc([N+](=O)[O-])c3)cs2)CC1=O 1873941107 WSDNGXLMYUEDNL-BBTAVVNOSA-N 460.515 5.121 50 10 JKGE CC1(C)COc2c([C@H](Br)[C@H]3C[C@H](Br)C3)cc(Br)cc21 1887748812 MESNTJOMPLWFKZ-JRKPZEMJSA-N 453.012 5.729 50 10 JKGE Cc1cc([C@@H](Br)c2sc(Cl)cc2I)oc1Br 1900924760 PNSXWQSGSOYNHX-MRVPVSSYSA-N 496.389 6.154 50 10 JKGE CC(C)(C)[C@@H]1C[C@H]1[C@H](Cl)c1c(Br)sc(Br)c1Br 1910607436 PEOQUBINOJZFLA-KCRUCZTKSA-N 465.476 6.998 50 10 JKGE COc1cccc(F)c1[C@@H](Br)c1sc(Br)c(C)c1Br 1922901001 KXJGVYDQGNCFCG-LLVKDONJSA-N 472.999 6.214 50 10 JKGE Cc1c(Br)sc([C@@H](Br)[C@@H]2C(F)(F)C23CCC3)c1Br 1922932059 IMBVUUCOSFYCNP-APPZFPTMSA-N 464.995 6.453 50 10 JKGE Cc1ccc(C[C@H](Br)c2sc(Br)cc2Br)cc1C 1922943637 VZORABKIKIELRN-NSHDSACASA-N 453.037 6.569 50 10 JKGE Fc1cccc([C@@H](Br)c2c(Br)sc(Br)c2Cl)c1 1923073570 YABWPJYJJGLVLJ-MRVPVSSYSA-N 463.391 6.550 50 10 JKGE CCC[C@@H](C)[C@@H](Br)c1c(Br)sc(Br)c1Br 1924575894 HGXCMYQUXLXJJU-IYSWYEEDSA-N 483.889 6.908 50 10 JKGE FC1(F)CCC[C@@H]1[C@H](Cl)c1c(Br)sc(Br)c1Br 1924583100 FXBZTDNASPJVIK-FBCQKBJTSA-N 473.402 6.751 50 10 JKGE CCc1cc(Br)c([C@H](Br)c2cscc2OCc2ccccc2)s1 1939527704 MRZIZUCUENTTLU-QGZVFWFLSA-N 472.267 7.198 50 10 JKGE CN(Cc1ccccc1)[C@@H]1CCCN(c2ccc(CBr)c(Br)c2)C1 2003360399 KNMHQFUNPUWFGZ-LJQANCHMSA-N 452.234 5.445 50 10 JKGE CC(C)c1ccccc1NC(=O)COc1ccc(C=C(C#N)c2nnc3n2CCCCC3)cc1 2040469320 LZOFUJWQBXEMFX-UHFFFAOYSA-N 455.562 5.210 50 10 JKGE CC[C@@H]1CN(C(=O)OCc2ccccc2)[C@H](CC)CN1C[C@H](CBr)CC1CC1 2050057434 PDJZUPXDSCKDAD-BHDDXSALSA-N 451.449 5.309 50 10 JKGE Fc1cc(Br)c([C@@H](Br)c2cc(Br)sn2)c(F)c1F 2056495623 GFYDIQQJMRHGAS-QMMMGPOBSA-N 465.914 5.570 50 10 JKGE Cc1cc(Br)c(C)c([C@@H](Br)c2csnc2C)c1Br 2081059720 JKASNZVRIRBACA-ZDUSSCGKSA-N 454.025 6.078 50 10 JKGE CC(C)Cc1ccccc1[C@@H](Br)c1cc(Br)sc1Br 2089370994 AFVYYCNSNHOQCK-CQSZACIVSA-N 467.064 6.956 50 10 JKGE C[C@H]1Cc2cc([C@H](Cl)c3sccc3I)cc(Br)c2O1 2090470302 MRMDXASGTLCDJD-MADCSZMMSA-N 469.569 5.767 50 10 JKGE Clc1ccccc1[C@H](CBr)Cc1c(Br)cccc1Br 2094094814 GMLJVYAVBNICGF-JTQLQIEISA-N 467.426 6.586 50 10 JKGE Fc1cc(Cl)c(Br)cc1[C@H](Cl)c1c(Br)cccc1Br 2097828374 RCMBMTGFMFFDHW-ZDUSSCGKSA-N 491.807 7.095 50 10 JKGE Fc1ccc([C@H](Br)c2cc(Br)c(Cl)cc2F)cc1Br 2097833876 GWNYTPKBZMVWTN-ZDUSSCGKSA-N 475.352 6.628 50 10 JKGE CC[C@H](Br)[C@@H]1CCCCN1C(=O)c1cc(Br)c(Br)s1 2114192698 JZLHHJKTXKOCFW-WPRPVWTQSA-N 474.056 5.441 50 10 JKGE CCC[C@H]1CN(Cc2cc(Br)ccc2Br)C[C@@H]1CBr 2140782748 CVUCVAQRDOIYMN-AAEUAGOBSA-N 454.044 5.455 50 10 JKGE Fc1ccc(CBr)c(OCc2ccc(Br)cc2Br)c1F 2148686023 SSPFRTUPOPNHSX-UHFFFAOYSA-N 470.933 5.964 50 10 JKGE Oc1nc2cc([C@H](Br)c3scc(Cl)c3Cl)c(Br)cc2[nH]1 2152521802 CPWLYIAONURSBI-VIFPVBQESA-N 456.974 5.884 50 10 JKGE CC1(C)CCC[C@H](CO[C@@H](CI)c2ccc(Br)cc2)O1 2185551250 NMERPTZPOBWBAR-CABCVRRESA-N 453.158 5.290 50 10 JKGE Cc1cc(Cl)ccc1[C@H](Br)c1c(C)c(Br)cc(C)c1Br 2201067918 BWRFBTMURAMATC-INIZCTEOSA-N 481.453 7.275 50 10 JKGE Cc1cc(Br)c(C)c([C@@H](Br)C2(C(C)(C)C)CCC2)c1Br 2201071148 DMNLQUXDTBLLAO-OAHLLOKOSA-N 467.083 7.481 50 10 JKGE Cc1sc([C@@H](Br)c2sc(C)c(Br)c2C)cc1Br 2213746748 ODMBDIVCRZARIC-LLVKDONJSA-N 459.066 6.744 50 10 JKGE Cc1sc([C@@H](Br)c2cc(Br)c(Br)s2)c(C)c1C 2215540233 XGXXNKYWQIAMFS-JTQLQIEISA-N 459.066 6.744 50 10 JKGE COc1sc([C@@H](Cl)c2ccc(C)c(I)c2)cc1Br 2217866648 NPJOHRHBDUEVTF-LBPRGKRZSA-N 457.558 5.760 50 10 JKGE C[C@@H](CC(F)(F)F)[C@@H](Br)c1cc(Br)c(Br)cc1F 2218605019 CARVXPOUFXSNDI-XUOSJQGZSA-N 456.897 6.375 50 10 JKGE Cc1sc(Br)c(C)c1[C@H](Br)c1cccc(Br)c1F 2218800128 IQGOVLUQXDOQPB-LLVKDONJSA-N 457.000 6.513 50 10 JKGE Cc1cc(Br)c([C@H](Cl)c2cc(Br)c(Cl)s2)c(C)c1Cl 2224323342 RSUZKDFZMYFRFN-GFCCVEGCSA-N 463.449 7.525 50 10 JKGE Fc1cc(Br)c(Br)cc1[C@H](Br)Cc1cccc(F)c1F 2233975765 LPGRQWGWUQGCGM-SECBINFHSA-N 472.924 6.308 50 10 JKGE FC1(F)C[C@]1(Br)Cn1c(CCl)nc2cc(Br)c(Br)cc21 2234068776 HVBMMEIDGAGCEZ-NSHDSACASA-N 493.371 5.473 50 10 JKGE Cc1c(Br)csc1[C@H](Br)c1ccc(Br)c2ccccc12 2234517655 PVXHIVIHUSUAML-OAHLLOKOSA-N 475.043 7.219 50 10 JKGE Cc1cc([C@@H](Br)c2cc(F)c(Br)cc2F)cc(C)c1Br 2235678611 MXULAAGEYNIPNN-OAHLLOKOSA-N 468.961 6.591 50 10 JKGE C[C@H](Cl)c1nc2cnc(C(F)(F)F)cc2n1CCCN(Cc1ccccc1)Cc1ccccc1 2237597027 KHMZXZRSHILCGE-IBGZPJMESA-N 486.969 6.842 50 10 JKGE Cc1sc(Br)cc1[C@H](Br)c1scc(Br)c1Cl 2242671149 OTDHAINQHGHFQQ-QMMMGPOBSA-N 465.457 6.781 50 10 JKGE C[C@]1(c2cc(Br)c(Br)s2)CCC[C@@H](CI)O1 2243277398 TWALHLCCDFEVFJ-WRWORJQWSA-N 480.003 5.492 50 10 JKGE COc1ccc([C@H](Br)c2cscc2Br)cc1I 2248896833 VRGKJJKJYDOPSQ-LBPRGKRZSA-N 487.982 5.608 50 10 JKGE Clc1ccc(C[C@H](Br)c2ccc(Cl)c(I)c2)nc1 2256337726 FLWACSSYYPYYCM-NSHDSACASA-N 456.936 5.672 50 10 JKGE Cc1cc(Br)c([C@H](Cl)c2scc(Br)c2Cl)c(C)c1Cl 2264608387 YHQLLPAZKSBRLF-LBPRGKRZSA-N 463.449 7.525 50 10 JKGE COc1cc(Cl)c(Cl)cc1[C@@H](Br)Cc1ccccc1I 2279049183 YSIFLLWKXAYCFW-NSHDSACASA-N 485.974 6.285 50 10 JKGE Clc1ccc(I)c(CN2C[C@H](Br)C[C@@H]3CCCC[C@@H]32)c1 2279525492 XAANSFPDGILPSI-GHJWDPDVSA-N 468.604 5.473 50 10 JKGE Cc1ccc(NC(=O)C(C#N)=C2S[C@@H](Cc3cccc(C)c3)C(=O)N2c2ccc(C)cc2)cc1 2293039202 NQBPTIVULNHHNO-VWLOTQADSA-N 467.594 5.677 50 10 JKGE Clc1ccc(Br)cc1CO[C@H](CBr)c1ccccc1Br 2295172708 AEJCQEWDQBBZBB-OAHLLOKOSA-N 483.425 6.518 50 10 JKGE COc1c(Br)cc(Cl)c(C)c1[C@H](Cl)c1cc(Br)sc1C 2295265119 NHOZQDZYSMBWOQ-CYBMUJFWSA-N 459.030 6.880 50 10 JKGE Brc1cc(Br)cc(C[C@H](Br)c2ccccc2C2CC2)c1 2295332560 YJTOLZNGXZOKAO-KRWDZBQOSA-N 459.019 6.768 50 10 JKGE COc1cc(C=C(C#N)C(=O)Nc2cc(Cl)cc(Cl)c2)ccc1OC(=O)c1ccc(C)cc1 2295459716 QCSHFLVTCROPTL-UHFFFAOYSA-N 481.335 6.075 50 10 JKGE Fc1cc([C@H](Br)c2cc3sc(Br)cc3s2)c(F)cc1Cl 2295508630 GUFCEQPYUZOWDE-ZDUSSCGKSA-N 458.574 7.141 50 10 JKGE COc1ccc(C=C2CCC[C@@H]3C2=NN(C(=O)C(C#N)=Cc2ccco2)[C@@H]3c2ccc(OC)cc2)cc1 2297021079 DHWUBFOYUAUVOK-XRKRLSELSA-N 493.563 6.027 50 10 JKGE Cc1cc(C=C(C#N)C(=O)Nc2cccc(Cl)c2Cl)c(C)n1-c1ccc([N+](=O)[O-])cc1 2313571071 MPNIGDSQAYQIOH-UHFFFAOYSA-N 455.301 5.855 50 10 JKGE N#CC(=Cc1ccc(-c2cc(Cl)ccc2Cl)o1)c1nc(-c2ccc(Cl)cc2)cs1 2314456996 PNZCUQWLEUVCEZ-UHFFFAOYSA-N 457.769 8.094 50 10 JKGE CCO[C@@H]1CC[C@@H]([C@H](Br)c2cc(Br)ccc2OCc2ccccc2)C1 2314502007 DHSZMAQTIGGSHO-BLIXFSHQSA-N 468.229 6.669 50 10 JKGE COc1ccc(N2C(=O)[C@H](Cc3cccc(C)c3)SC2=C(C#N)C(=O)Nc2cccc(C)c2)cc1 2314591788 DYPBAJDXJQAEGO-VWLOTQADSA-N 483.593 5.377 50 10 JKGE CCc1ccc(N2C(=O)[C@@H](Cc3ccc(C(C)C)cc3)SC2=C(C#N)C(=O)Nc2ccccc2)cc1 2314593506 OFLFIVCCSIWGCQ-HHHXNRCGSA-N 495.648 6.437 50 10 JKGE CC(C)(CCF)[C@@H](Br)c1c(Cl)cc(Br)c(F)c1Br 2315445994 BRIMWSPWEINGAI-NSHDSACASA-N 469.389 6.826 50 10 JKGE Cn1cnc(Br)c1[C@@H](Br)c1cc(Br)c(Cl)cc1F 2315593005 DLSVUSIPVMSCBL-VIFPVBQESA-N 461.354 5.222 50 10 JKGE Brc1sncc1[C@H](Br)c1ccc2c(c1Br)CCO2 2315641175 HSDIYONFDFKJQO-LLVKDONJSA-N 453.981 5.087 50 10 JKGE Clc1cc(I)c([C@@H](Br)[C@H]2C[C@H]3CCC[C@H](C3)C2)s1 2316771344 LIOLNHNJPNETHZ-WJZNIJOASA-N 459.618 6.659 50 10 JKGE C[C@@H](NC(=O)C(C#N)=CN(Cc1ccccc1)Cc1ccccc1)C12CC3CC(CC(C3)C1)C2 2318469686 XQPBRMWMSKEBBF-CTFQLYAESA-N 453.630 5.817 50 10 JKGE COc1ccc(C(C#N)=Cc2ccc(OC(=O)c3ccc(C(F)(F)F)cc3)c(OC)c2)cc1OC 2320506476 KJWNBKPCUOHCRQ-UHFFFAOYSA-N 483.442 6.015 50 10 JKGE C[C@H]1CC[C@@H](CBr)N(Cc2ccc(I)c(Br)c2)C1 2325223438 XUPUERATPWFUQS-JQWIXIFHSA-N 487.017 5.049 50 10 JKGE CC1CC(CBr)(N(C)Cc2ccc(I)c(Br)c2)C1 2325226475 OXSPNAYZYMMATG-UHFFFAOYSA-N 487.017 5.049 50 10 JKGE CCOc1cc(C=C(C#N)c2nc3ccccc3s2)ccc1OCc1c(Cl)cccc1Cl 2331025529 HUDNIYMXWJYEAZ-UHFFFAOYSA-N 481.404 7.645 50 10 JKGE CCc1ccc(-c2csc(C(C#N)=C(O)c3ccc4c(c3)C(=O)N(Cc3ccccc3)C4=O)n2)cc1 2331245390 GGIJFMYUCLGOEP-UHFFFAOYSA-N 491.572 6.119 50 10 JKGE COc1ccc(C=CC(O)=C(C#N)c2nc(-c3cc(C(C)(C)C)ccc3OC)cs2)c(OC)c1 2331350850 YPHPUOPZFPCRKN-UHFFFAOYSA-N 476.598 6.639 50 10 JKGE COc1ccc(-c2csc(C(C#N)=C(O)CCCOc3ccc4ccccc4c3)n2)c(OC)c1 2331385732 ZILXARBNBAUDGA-UHFFFAOYSA-N 472.566 6.632 50 10 JKGE CCOc1cc(C=C(C#N)c2nc(-c3ccc(C(C)C)cc3)cs2)ccc1OCc1ccccc1 2331456543 BBMFHRLCBZNMNS-UHFFFAOYSA-N 480.633 7.975 50 10 JKGE COc1cc(OC)c(-c2csc(C(C#N)=Cc3ccc(Cl)c(Cl)c3)n2)cc1Cl 2331471732 CAKWRYKIKIXOJO-UHFFFAOYSA-N 451.762 6.852 50 10 JKGE CCCCCCOc1ccc(C=C(C#N)c2nc(-c3cc(Cl)ccc3OC)cs2)cc1OC 2331491865 SONFPIGUXXQCDD-UHFFFAOYSA-N 483.033 7.504 50 10 JKGE Clc1ccc(C[C@H]2C[C@@H](Br)CC3(CCC3)C2)cc1I 2337274036 FITOPRXSTKRIFS-QWHCGFSZSA-N 453.589 6.221 50 10 JKGE Clc1ccc(OCc2ccc(Cl)c(I)c2)c(CBr)c1 2337277089 OWFONYOASLGNAT-UHFFFAOYSA-N 471.947 6.072 50 10 JKGE CCC[C@@H](O[C@@]1(CI)CCCN(C(=O)OC(C)(C)C)C1)c1ccccc1 2340541420 LSYBJARPEPSDCO-WIYYLYMNSA-N 473.395 5.749 50 10 JKGE Cc1cc(Br)c(C)c([C@@H](Br)[C@@H]2C[C@@H]3O[C@H]2[C@H]2C[C@@H]32)c1Br 2357916893 LVLHSLCMUWTIJL-YADKTJFCSA-N 465.023 5.688 50 10 JKGE Cc1c(Cl)sc(Cl)c1[C@H](Br)c1cc(Br)cc(C(C)C)c1 2361205672 GIHMWPSLGCEIRZ-CYBMUJFWSA-N 457.058 7.734 50 10 JKGE C[C@@H](c1ccccc1)[C@H](Br)c1c(Cl)cc(Br)c(F)c1Br 2362224132 PMEMEJIBZUXSTQ-SDBXPKJASA-N 485.416 7.244 50 10 JKGE CCCc1sc(Br)cc1[C@@H](Cl)c1cc(Cl)c(C)c(Br)c1 2363276267 YUHYBYJMESZFGH-HNNXBMFYSA-N 457.058 7.516 50 10 JKGE Cc1cc(Br)c([C@@H](Br)[C@@H]2COC3(CCC3)CO2)cc1Br 2364135923 QKGXUTOELLKUFC-UONOGXRCSA-N 469.011 5.294 50 10 JKGE Cc1cc(Br)c(F)c(Br)c1[C@H](Br)C1(C(F)(F)F)CCC1 2365189506 VSCKNGKXJVXFRB-NSHDSACASA-N 482.935 6.828 50 10 JKGE Cc1cc(Br)c(F)c(Br)c1[C@@H](Br)C1(CC2CC2)CCC1 2365224843 CFGGEMDJLDXWST-OAHLLOKOSA-N 469.030 7.066 50 10 JKGE Clc1ccc(CN2C[C@H]3CC(CBr)C[C@@H](C3)C2)c(I)c1 2368392614 IBHGOZRIUYILKM-STQMWFEESA-N 468.604 5.188 50 10 JKGE COc1ccc(COc2ccc(/C=N/NC(=O)CCCSc3nc4ccccc4s3)o2)cc1 20291460 YOOOMTBFYUDRCI-MFKUBSTISA-N 481.599 5.500 50 10 JKGE N#C/C(=C/c1ccc(-c2ccc(Cl)c(C(=O)O)c2)o1)C(=O)NCCc1c[nH]c2ccccc12 33304616 DAHRVLWEUODZLC-BOPFTXTBSA-N 459.889 5.045 50 10 JKGE Cc1ccc(NC(=O)/C(C#N)=C2/S[C@@H](Cc3ccc(F)cc3)C(=O)N2c2ccc(F)cc2)cc1 33579573 UDQFAGAQGXCZDF-GPSDDGMOSA-N 475.520 5.338 50 10 JKGE CCCCCOc1ccc(C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@H]3c2ccc(OC)cc2)cc1 38650346 XVEAAISNUGYNDJ-MHZLTWQESA-N 484.552 5.702 50 10 JKGE CCOc1c(Cl)cc(C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@@H]3c2ccc(F)cc2)cc1Cl 38652884 QPABOPMVSJYRIC-JOCHJYFZSA-N 499.325 5.969 50 10 JKGE COc1cc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4ccccc4)ccc32)ccc1OCCC(C)C 38660315 YOUXKDSEBMDTBX-MHZLTWQESA-N 484.552 5.557 50 10 JKGE CCOc1ccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4ccc(OCC(C)C)cc4)ccc32)cc1 38685856 YVYBPIUBNMOCEI-HHHXNRCGSA-N 484.552 5.557 50 10 JKGE Cc1ccc(C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@@H]3c2cccc(OCc3ccccc3)c2)cc1 38686493 AIIUTNGOLVAWMR-GDLZYMKVSA-N 488.543 6.011 50 10 JKGE N#C/C(=C\c1ccc(-c2cccc(Cl)c2Cl)o1)C(=O)Nc1ccc(Cl)c(Cl)c1 39884649 WDTMWBBVOXXOMB-DHZHZOJOSA-N 452.124 7.106 50 10 JKGE Cc1cccc(NC(=O)c2oc3c(c2C)/C(=N/NC(=O)c2ccc(Br)cc2)CCC3)c1C 40811748 OJHAHBPXDXNMPY-VFCFBJKWSA-N 494.389 5.690 50 10 JKGE Cc1c(C(=O)Nc2ccccc2Br)oc2c1/C(=N/NC(=O)Cc1ccccc1)CCC2 40815824 QUYAQNJSASMMCN-ZXVVBBHZSA-N 480.362 5.002 50 10 JKGE COc1cc(/C=C\C#N)ccc1OC(=O)CCCOc1ccc(C(C)(C)C)cc1Br 41017111 XORQZSGTHYNWAQ-ALCCZGGFSA-N 472.379 6.057 50 10 JKGE Cc1nn(Cc2ccccc2Cl)c(C)c1/C=N/NC(=O)[C@@H](C)Oc1ccc(Cl)cc1Cl 59151392 VEMBAZSHIRIWGM-JALYYJSPSA-N 479.795 5.426 50 10 JKGE Cc1cc(/C=N/NC(=O)c2cc3cc(Br)ccc3o2)c(C)n1-c1ccccc1Cl 59304659 FXDOYHJRPHFXAC-BRJLIKDPSA-N 470.754 6.020 50 10 JKGE COc1cc(/C=C(/C#N)C(=O)NCc2cccs2)ccc1OCc1ccc(Cl)cc1Cl 59534349 OVAAIEZZQZTIJT-MFOYZWKCSA-N 473.381 5.866 50 10 JKGE CC1=C(/C=C/C(C)=C/C=C/C(C)=C/C=C/C=C(C)/C=C/C=C(C)/C=C/C=C(\C)C=O)C(C)(C)CCC1 64633386 FTQSFEZUHZHOAT-BRZOAGJPSA-N 482.752 10.224 50 10 JKGE in-vitro N#C/C(=C1\C(=O)Nc2ccc([N+](=O)[O-])cc21)c1nc(-c2ccc(Oc3ccccc3)cc2)cs1 97994676 ISUCRZNLJDVGGL-BSYVCWPDSA-N 466.478 5.897 50 10 JKGE COc1cc(N/C=C(/C#N)c2nc(-c3cccc(Br)c3)cs2)cc(OC)c1OC 102462054 BTSFDERPGQFBJS-KAMYIIQDSA-N 472.364 5.575 50 10 JKGE Fc1ccc(Br)cc1COc1c(Br)cccc1CBr 110378473 ZSOGKGWZCOQOEE-UHFFFAOYSA-N 452.943 5.825 50 10 JKGE COc1ccsc1[C@H](Br)c1cc(Br)c(C)cc1Br 128759179 FAFHIRPNCWWUGT-GFCCVEGCSA-N 455.009 6.074 50 10 JKGE Cc1cc([C@@H](Br)c2cc(Cl)c(Br)s2)ccc1Br 137916671 XZAXWAQAPQVNOQ-LLVKDONJSA-N 459.428 6.719 50 10 JKGE Fc1cccc(Br)c1[C@H](Br)c1csc2c(Br)cccc12 161222891 UYFGHNDPTBTHCJ-CQSZACIVSA-N 479.006 7.050 50 10 JKGE CCCCCc1cc2c(c(O[Si](C)(C)C(C)(C)C)c1)[C@@H]1C=C(COC(C)=O)CC[C@H]1C(C)(C)O2 206561183 SCKLQDZODWBYFB-DNQXCXABSA-N 486.769 7.957 50 10 JKGE C[C@@H](Sc1nnc(Cc2ccccc2)n1-c1ccccc1)C(=O)/C(C#N)=C1/Nc2ccccc2S1 212168072 FNUPUXCXGBBVHV-ZMRQUTOFSA-N 495.633 5.861 50 10 JKGE N#C/C(=C/NCCc1ccc(Br)cc1)C(=O)Nc1ccccc1Sc1ccccc1 217244045 HVBDMNNOVOLWMJ-ZPHPHTNESA-N 478.415 5.779 50 10 JKGE Brc1ccc(I)cc1[C@H](Br)Cc1cccs1 232478734 LEOPSNCAKMDWLV-GFCCVEGCSA-N 471.983 5.794 50 10 JKGE Brc1ccc(I)c([C@@H](Br)c2ccc3c(c2)COC3)c1 232484355 WXSITRSPDYRXIA-HNNXBMFYSA-N 493.964 5.568 50 10 JKGE COCCc1ccc([C@H](Cl)c2cc(I)ccc2Br)cc1 234703275 PNSGOMGUWCUAHR-INIZCTEOSA-N 465.556 5.571 50 10 JKGE COc1cccc(N(C(=O)CCl)[C@H](C(=O)N[C@@H]2CCCC[C@H]2C)c2ccc(Cl)cc2)c1 252587066 VKXKQEAKWJDNRO-VZPUWSDOSA-N 463.405 5.357 50 10 JKGE O=C(COc1ccccc1-c1ccnn1-c1ccccc1)NN=Cc1cc2ccccc2nc1Cl 252590355 ARVRGXKOVJKCNX-UHFFFAOYSA-N 481.943 5.270 50 10 JKGE CC1(C)[C@]2(C)CC[C@@]1(C(=O)N1CCN(C(c3ccccc3)c3ccccc3)CC1)[C@H]2Br 256019855 IQOOUHJPCORXCJ-RNJDCESWSA-N 481.478 5.510 50 10 JKGE Clc1ccc(Br)c(COc2cccc(CBr)c2Br)c1 315800973 DIWIALASDPVDTA-UHFFFAOYSA-N 469.398 6.339 50 10 JKGE CCCOc1ccc([C@@H](Br)c2ccccc2OCc2ccccc2)cc1Br 380594992 YJUACMGUDUXCDK-HSZRJFAPSA-N 490.235 7.301 50 10 JKGE Brc1ccc(Br)c([C@@H](Br)c2cccc3ccsc23)c1 386396998 HCICZJKKFYATOR-AWEZNQCLSA-N 461.016 6.911 50 10 JKGE C[C@H]1CN(Cc2ccccc2)C[C@H]1n1c(CCl)nc2cc(I)c(F)cc21 389790103 PBQSUDRYZSPLRK-ORAYPTAESA-N 483.756 5.212 50 10 JKGE Cc1cc(F)c([C@H](Br)c2cc(Br)ccc2Br)cc1C 395849470 LYOXZCBOACTYSI-OAHLLOKOSA-N 450.971 6.452 50 10 JKGE Cc1oc(Br)cc1[C@@H](Br)c1ccc(Br)c2ccccc12 396580544 HSDSUVOEJGFXFW-INIZCTEOSA-N 458.975 6.751 50 10 JKGE CC(C)(C)OC(=O)NCCN1CCO[C@H](c2ccc(CCO[Si](C)(C)C(C)(C)C)cc2)C1 616647870 JSBUDXPOBSHZNH-QFIPXVFZSA-N 464.723 5.149 50 10 JKGE CC1(C)COc2c([C@H](Cl)c3sccc3I)cc(Br)cc21 688226872 YTMPMTCYAUNRTP-LBPRGKRZSA-N 483.596 6.113 50 10 JKGE Fc1ccc([C@H](Br)c2cc(Br)c(Br)s2)c(F)c1Cl 689687518 AWFHREBMBZKEFF-QMMMGPOBSA-N 481.381 6.689 50 10 JKGE BrCC(CBr)(Cc1ccc(Br)s1)C1CCCCC1 696828798 KIPZOOQIDRHUTI-UHFFFAOYSA-N 459.085 6.410 50 10 JKGE Fc1ccc([C@@H](Br)c2cc(Cl)ccc2I)c(F)c1Cl 701690618 BGMKOFLZWCYUSX-LLVKDONJSA-N 477.901 6.361 50 10 JKGE Clc1ccccc1C(CBr)(CBr)Cc1ncc(Br)s1 713636815 AQVPLQPDKPZDEC-UHFFFAOYSA-N 488.470 5.829 50 10 JKGE Cc1ccc([C@H](Br)c2ccc(I)c(Br)c2)s1 721589289 SMPRYSCAFUQDJI-GFCCVEGCSA-N 471.983 5.908 50 10 JKGE COc1cc(/C=C(/C#N)C(=O)Nc2ccc(Cl)cc2)ccc1OCc1cccc(Cl)c1 1083888102 FBGUZQVEGOBGMS-WQRHYEAKSA-N 453.325 6.127 50 10 JKGE Cc1c(/C=C(\C#N)C(=O)N2CCN(c3ccccc3)CC2)c2ccccc2n1Cc1ccccc1C#N 1083896277 LJVKORDAENKIMG-LGUFXXKBSA-N 485.591 5.125 50 10 JKGE CCc1ccc(OCC(=O)NN=Cc2ccc(OCc3ccccc3)cc2)c(Br)c1 1083992525 HXLLMDYYSIMCKS-UHFFFAOYSA-N 467.363 5.120 50 10 JKGE N#C/C(=C/c1cn(Cc2ccc(Br)cc2)c2ccccc12)C(=O)Nc1ccc(Cl)cc1 1084115128 HEZBLGSIKLPZQA-AQTBWJFISA-N 490.788 6.651 50 10 JKGE CCCCCCCCOc1ccc(C=NNC(=O)c2ccc(OCc3ccc(Cl)cc3)cc2)cc1 1084220323 FNNQUWZJPQFJBB-UHFFFAOYSA-N 493.047 7.422 50 10 JKGE C=CCc1cc(C=NNC(=O)c2cc3ccccc3o2)cc(OC)c1OCc1cccc([N+](=O)[O-])c1 1084450939 CWTLDXUMFYANRO-UHFFFAOYSA-N 485.496 5.421 50 10 JKGE Cc1ccc(Cl)cc1NC(=O)C(=O)NN=Cc1cc(C)n(-c2cc(Cl)cc(Cl)c2)c1C 1084507703 RQTOAKZTAAFCTF-UHFFFAOYSA-N 477.779 5.452 50 10 JKGE O=C(COc1ccc2ccccc2c1Br)NN=Cc1cc(Cl)cc(Cl)c1O 1084547337 QXASHFPTRDPHES-UHFFFAOYSA-N 468.134 5.144 50 10 JKGE CC(C)(C)N(NC(=O)Nc1ccc(F)cc1F)C(=O)c1cc(Cl)cc(OC(F)(F)F)c1 1088690940 LKNNZRXEKZIUJK-UHFFFAOYSA-N 465.806 5.494 50 10 JKGE COc1cc(C=NNC(=O)CSc2nc(-c3ccccc3)cs2)ccc1OCCC(C)C 1772755082 LHPFIBUUXXFYTH-UHFFFAOYSA-N 469.632 5.486 50 10 JKGE CCCc1nn(Cc2ccc(Cl)c(Cl)c2)c2c1[C@H](c1ccccc1Cl)C(C#N)=C(N)O2 1865685047 CWLQDIKJHXSUTD-HXUWFJFHSA-N 473.791 6.062 50 10 JKGE CCCc1nn(Cc2ccccc2F)c2c1[C@@H](c1c(Cl)cccc1Cl)C(C#N)=C(N)O2 1865686013 QFERVFKAAMIMFD-LJQANCHMSA-N 457.336 5.548 50 10 JKGE CCOc1ccc([C@@H]2C(C#N)=C(N)Oc3c2c(C(F)(F)F)nn3-c2ccc(C)cc2)cc1OCC 1865688879 DCMIFPWAYDTXEH-HXUWFJFHSA-N 484.478 5.215 50 10 JKGE CCOc1c(OC)cccc1[C@@H]1C(C#N)=C(N)Oc2c1c(-c1ccccc1)nn2Cc1cccc(F)c1 1865693312 NAPPQMJWFLFDQI-XMMPIXPASA-N 496.542 5.363 50 10 JKGE CCc1ccc(-c2ccc(C(=O)NNC(=O)/C(=C\c3ccc(OC)cc3)c3ccccc3)c(C)n2)cc1 1865758438 AEMLSFFPUYQPDR-RRAHZORUSA-N 491.591 5.630 50 10 JKGE COCCc1nc(Nc2ccc(SC#N)cc2)cc(N2CCC[C@@H]2Cc2ccc(Cl)cc2)n1 1868253739 RJPKLZUMUZXCHP-OAQYLSRUSA-N 480.037 5.847 50 10 JKGE COc1ccc(-c2csc(/C(C#N)=C(\O)CCCOc3cc(C)c(Cl)c(C)c3)n2)cc1OC 1872745613 VUNHOVFFCQJWOD-VZCXRCSSSA-N 485.005 6.749 50 10 JKGE CC[C@H](C)N1C(=O)c2ccc(/C(O)=C(\C#N)c3nc(-c4ccccc4Cl)cs3)cc2C1=O 1872746629 QGOPXFYAZAQWHW-NAWWWVTNSA-N 463.946 5.808 50 10 JKGE Cc1cc(OCCC/C(O)=C(\C#N)c2nc(-c3ccc(Cl)cc3)cs2)cc(C)c1Cl 1872748264 PWDOBEXVBPDISR-VZCXRCSSSA-N 459.398 7.386 50 10 JKGE Cc1ccc(C)c(-c2csc(/C(C#N)=C(\O)c3ccc(N4CCOCC4)c([N+](=O)[O-])c3)n2)c1 1872750136 YMXMVDVCWAASOJ-NMWGTECJSA-N 462.531 5.122 50 10 JKGE CC(C)C[C@@H](/C(O)=C(\C#N)c1nc(-c2ccc(C(C)C)cc2)cs1)N1C(=O)c2ccccc2C1=O 1872751696 AWPHMPAQANDBQX-JRURIKFDSA-N 485.609 6.437 50 10 JKGE COc1ccc(C/C(O)=C(\C#N)c2nc(-c3cc(C(C)C)c(OC)cc3C)cs2)c(OC)c1 1872751863 XOWGLGCVKISRDS-LNVKXUELSA-N 464.587 6.303 50 10 JKGE CCCCCCCOc1ccc(-c2csc(/C(C#N)=C(\O)CCOc3ccccc3)n2)cc1 1872753113 HYSUDUPSSLTBBL-LCUIJRPUSA-N 462.615 7.421 50 10 JKGE N#C/C(=C(/O)c1ccc2c(c1)C(=O)N(c1ccc(F)cc1)C2=O)c1nc(-c2ccc(F)cc2)cs1 1872753267 ORKJUCQVOKQEHL-LNVKXUELSA-N 485.471 5.839 50 10 JKGE N#C/C(=C(/O)c1cc([N+](=O)[O-])ccc1Cl)c1nc(-c2ccc(Oc3ccccc3)cc2)cs1 1872753755 LNQGHNIMWNKNBL-ATJXCDBQSA-N 475.913 7.114 50 10 JKGE CC(C)(C)OC(=O)N1CCC[C@H](C(=O)N/N=C/c2ccc(OCc3ccc(Cl)cc3)cc2)C1 1873499129 FRGMKZXCRUBRHR-IYAOEYEUSA-N 471.985 5.016 50 10 JKGE CC(C)C[C@@H]1CN(C(=O)OC(C)(C)C)CC[C@@H]1[C@H](CBr)NC(=O)OC(C)(C)C 1885096863 MDWKNTWUZMDEKO-IKGGRYGDSA-N 463.457 5.194 50 10 JKGE BrCc1cc(Br)c(OC[C@@H]2C[C@H]2Br)c(Br)c1 1897192956 JUTDJXQZZNPBEX-JGVFFNPUSA-N 477.816 5.269 50 10 JKGE O=C(c1cc(Br)c(Br)s1)N1CC2(CCCC2)C[C@@H]1CBr 1912770825 RIVIETXEKCCXPD-SECBINFHSA-N 486.067 5.443 50 10 JKGE COc1cccc(Br)c1C(=O)N(Cc1ccccc1)[C@H](CBr)C1CC1 1915261912 FVYFLJPMBBZDOL-QGZVFWFLSA-N 467.201 5.274 50 10 JKGE CC(C)(CBr)N(Cc1ccccc1)S(=O)(=O)c1ccc(Cl)cc1C(F)(F)F 1915750242 SWUFMAVXAUXRHI-UHFFFAOYSA-N 484.765 5.723 50 10 JKGE Cc1cc([C@H](Br)c2cc(Br)c(Cl)cc2F)oc1Br 1917618211 VRZKZMKMYYKMQP-LLVKDONJSA-N 461.350 6.390 50 10 JKGE Cc1csc([C@@H](Br)c2sc(Br)cc2Br)c1Cl 1922929593 KMMNQAXYHDEIAN-ZETCQYMHSA-N 465.457 6.781 50 10 JKGE Cc1cc([C@H](Cl)c2sc(Br)c(C)c2Br)sc1Br 1922931333 BFQHXDUQEBYTGT-QMMMGPOBSA-N 479.484 7.042 50 10 JKGE CC(C)(c1ccccc1)[C@@H](Br)c1sc(Br)cc1Br 1922946380 QMZFMZMLVSJONM-ZDUSSCGKSA-N 453.037 6.687 50 10 JKGE Brc1cc(Br)c([C@@H](Br)[C@H]2CCOc3ccccc32)s1 1922955041 VNAYPTXWZNHPAH-ZANVPECISA-N 467.020 6.275 50 10 JKGE CCn1ncc(Br)c1[C@@H](Cl)c1c(Br)sc(Br)c1Cl 1923039709 QFOQVURZRCWRLQ-LURJTMIESA-N 497.865 6.234 50 10 JKGE CC1(C)CC(C)([C@@H](Br)c2c(Br)sc(Br)c2Cl)C1 1923068025 LUVVOHRBYIBVEU-QMMMGPOBSA-N 465.476 7.189 50 10 JKGE Cl[C@@H](Cc1ccncc1Br)c1cc(Br)sc1Br 1924042421 ZRRLATLOBFPJCM-VIFPVBQESA-N 460.416 5.953 50 10 JKGE Cl[C@@H](c1c(Br)sc(Br)c1Br)[C@@H]1Cc2ccccc2O1 1924596829 ULLRNLJYYHUVJC-GZMMTYOYSA-N 487.438 6.319 50 10 JKGE CCOc1ccc(Br)cc1[C@H](Br)c1csnc1Br 1925247998 NKNXCBGSGJSBTH-NSHDSACASA-N 455.997 5.551 50 10 JKGE Brc1cc(Br)c([C@H](Br)c2csnc2Br)s1 1925271586 RRGDDZUTPPCILX-ZCFIWIBFSA-N 496.869 5.976 50 10 JKGE CN(Cc1cc(Cl)cc(Br)c1)C[C@@H](Br)COCc1ccccc1 1979520004 LYOWCKGZMKMQSU-QGZVFWFLSA-N 461.625 5.515 50 10 JKGE Cc1nc(C(=O)N(Cc2ccccc2)C2(CBr)CCC2)c(Br)s1 1980606298 TUGLINRCXVTMLC-UHFFFAOYSA-N 458.219 5.174 50 10 JKGE Clc1ccc([C@@H](Br)Cc2ccccc2I)c(Cl)c1 2027336991 YJIBVWRTSXLGAE-LBPRGKRZSA-N 455.948 6.277 50 10 JKGE CCc1sc(Br)cc1[C@H](Br)c1cc(C)ccc1Br 2030218501 GTDZZXIRVMNDAD-CQSZACIVSA-N 453.037 6.628 50 10 JKGE FC(F)(F)C1CC([C@H](Cl)c2c(Br)sc(Br)c2Br)C1 2037022208 SMAGCIDUBGGCBD-HPCLJJITSA-N 491.392 6.904 50 10 JKGE Clc1cccc(Cl)c1C[C@H](Br)c1scc(Br)c1Br 2042860255 VRASVGJZKLVBPR-ZETCQYMHSA-N 493.873 7.259 50 10 JKGE Clc1c(Br)sc(Br)c1[C@@H](Br)[C@@H]1[C@H]2CCCCC[C@H]21 2048339829 KJXGWASPFITZML-WHQQTDPMSA-N 477.487 7.189 50 10 JKGE FC(F)(F)c1ccc(Cn2nc(C3CCC3)cc2CBr)cc1Br 2070025189 COTGJYFPRMCTRY-UHFFFAOYSA-N 452.112 5.875 50 10 JKGE Fc1cc(C(F)(F)F)ccc1Cn1nc(CCl)c(I)c1C(F)(F)F 2079210772 ZRIYQPWHCSNOKK-UHFFFAOYSA-N 486.556 5.452 50 10 JKGE Brc1ccc([C@@H](Br)c2cc3cscc3s2)c(Br)c1 2083319409 YTRSKVSCZMJDLI-CYBMUJFWSA-N 467.045 6.972 50 10 JKGE COc1ccc([C@@H](Br)Cc2ccccc2I)cc1Br 2087570671 UPWZODSYPGDSJH-LBPRGKRZSA-N 495.980 5.741 50 10 JKGE O=C(c1cc(Br)sc1Br)N1CC2(CCC2)C[C@@H]1CBr 2095170882 OENYFAHMMBMOAC-MRVPVSSYSA-N 472.040 5.053 50 10 JKGE COc1cc([C@@H](Br)c2cscc2OCc2ccccc2)c(OC)cc1Br 2100090905 DQUWAOPHMYBNIU-HXUWFJFHSA-N 498.236 6.591 50 10 JKGE Cc1cc([C@H](Br)c2cc(Br)cc3c2OCC3)c(Br)s1 2101013797 GOZIVPLVZDTRFM-GFCCVEGCSA-N 467.020 6.001 50 10 JKGE ClCc1nc2cc(Br)c(Cl)cc2n1[C@H]1CCCN(Cc2ccccc2)C1 2103623371 KLQJIDKSZLAZGY-HNNXBMFYSA-N 453.211 6.028 50 10 JKGE CC(C)(C)OC(=O)N[C@H](C[S@](C)(=O)=NC[C@@H](CBr)C(C)(C)C)C(C)(C)C 2106785861 CQCZPXYBMJVCSK-HMPCPRATSA-N 455.503 5.081 50 10 JKGE COc1ccc(Br)cc1[C@@H](Br)c1c(Cl)cccc1Br 2113158771 JUZHINVHCCYYHA-CQSZACIVSA-N 469.398 6.358 50 10 JKGE FC1(F)CCC[C@@H]2[C@H]([C@@H](Br)c3c(Cl)sc(Br)c3Cl)[C@@H]21 2114390839 CDTSJXOUTOKJHK-IXROVEORSA-N 454.989 6.935 50 10 JKGE Cc1cc(Br)c([C@H](Br)[C@@H]2[C@H]3CCC(F)(F)[C@H]32)cc1Br 2114391133 DSWRHVJWLYPPTB-YAUNCSCZSA-N 458.966 6.247 50 10 JKGE Cc1c(Br)sc([C@@H](Br)c2ccc3nsnc3c2)c1Br 2120650703 JDAYNBDRJNBMBH-JTQLQIEISA-N 483.048 6.071 50 10 JKGE O=S(=O)(c1ccc(Cl)c(CBr)c1)N(CCC(F)(F)F)Cc1ccccc1 2123200436 HWCBAPFKWNLVNW-UHFFFAOYSA-N 470.738 5.378 50 10 JKGE C[C@@H](c1cc(Br)cs1)N(C)c1cccc(Br)c1CBr 2130021203 IVGWNIKCDMFBEH-VIFPVBQESA-N 468.052 6.365 50 10 JKGE CN(c1cccc(Br)c1CBr)[C@@H]1C[C@@H]2C[C@@H](OCc3ccccc3)C[C@H]21 2134020942 YUUUFYJHGMTZRM-KCXPTXFHSA-N 479.256 6.164 50 10 JKGE Cc1cc(Br)c(C)c([C@H](Br)[C@@H]2OCCO[C@@H]2C)c1Br 2136370620 OZVCFUKUSIPFCB-BIGNPOOSSA-N 457.000 5.068 50 10 JKGE Cc1cc(Br)c(C)c([C@H](Br)[C@@H]2C[C@]2(C)C(F)F)c1Br 2136380500 VBNHDRHOEHKVRX-PELMWDNLSA-N 460.982 6.556 50 10 JKGE Cc1c(Br)ccc([C@H](Br)c2cccc(Cl)c2Cl)c1Br 2138850157 GTKYQAGRGJKJHK-ZDUSSCGKSA-N 487.844 7.311 50 10 JKGE C[C@@H]1CC[C@@H](C(C)(C)Cc2c(Br)cccc2Br)[C@@H](Br)C1 2150494087 ONOOYCRUYFEACY-KFNAQCHYSA-N 467.083 6.980 50 10 JKGE CCOc1cc(Cl)c([C@@H](Br)c2cc(Br)sc2C)cc1Cl 2152048269 SRSWVSOKVBIHFY-AWEZNQCLSA-N 459.030 7.009 50 10 JKGE CC[C@](C)(Cn1c(CCl)nc2cc(Cl)c(Br)cc21)N(C)Cc1ccccc1 2169014772 CGHXNLYUEUUOHS-OAQYLSRUSA-N 469.254 6.492 50 10 JKGE CCOc1cc(Cl)c([C@@H](Br)c2cc(Br)c(Cl)s2)cc1Cl 2172568780 GHTAFGNURUXUIM-GFCCVEGCSA-N 479.448 7.354 50 10 JKGE COc1ccc(OCc2cc(Br)ccc2Br)c(CBr)c1 2175141121 CGFHGMZQSJBADK-UHFFFAOYSA-N 464.979 5.694 50 10 JKGE COc1cc(Br)c(OCc2ccc(CBr)cc2)cc1Br 2182846101 ZMDALFARTHWSFA-UHFFFAOYSA-N 464.979 5.694 50 10 JKGE Brc1c2c(c([C@@H](Br)C3(Br)CCC3)c3c1CCC3)CCC2 2193148414 CITMYYMIDSLWPI-MRXNPFEDSA-N 463.051 6.180 50 10 JKGE Cc1cc(Br)c(C)c([C@H](Br)C[C@@H]2CCCOCC2)c1Br 2201066241 YBLCNJLQAHNCKR-TZMCWYRMSA-N 469.055 6.471 50 10 JKGE Cc1ccc(I)c([C@H](Br)c2ccc(Br)s2)c1 2212722153 LENRYLVIEXIUHM-LBPRGKRZSA-N 471.983 5.908 50 10 JKGE ClCc1nc2cc(Br)c(Br)cc2n1C[C@H]1C[C@H]1Br 2218665147 WWUAMYWJZKCCBJ-RNFRBKRXSA-N 457.391 5.084 50 10 JKGE CCOCc1cc(Br)c([C@H](Br)c2c(Br)cnn2C)s1 2224797485 YHAZFHZSSCBDHD-SNVBAGLBSA-N 473.028 5.027 50 10 JKGE Fc1cc(Br)c(Br)cc1[C@H](Br)[C@@H]1CC[C@H]1C(F)(F)F 2225619628 LKJAOVVXOMFXBY-DEHACQHWSA-N 468.908 6.375 50 10 JKGE Fc1cc([C@@H](Cl)c2c(Br)cc(Cl)c(Cl)c2Cl)ccc1Br 2232510536 HONSMQLPDHCDRK-LLVKDONJSA-N 481.801 7.639 50 10 JKGE CCOCc1cc(Br)c([C@H](Cl)c2cc(I)ccc2F)s1 2233016911 BAYYSPYTSOOIDL-CYBMUJFWSA-N 489.575 6.119 50 10 JKGE Clc1cccc([C@H](Cl)c2cc(Br)ccc2Br)c1Br 2256130451 CUHOEOQJAZAVOL-ZDUSSCGKSA-N 473.817 6.956 50 10 JKGE Fc1cc(Br)c(F)c(Br)c1[C@@H](Cl)c1csc(Br)c1 2260006091 OJJBTDZPYBXZQP-JTQLQIEISA-N 481.381 6.642 50 10 JKGE Cc1c(Br)csc1[C@H](Cl)c1c(F)cc(Br)c(F)c1Br 2272721410 HVKICLOOWAFNNG-SNVBAGLBSA-N 495.408 6.950 50 10 JKGE CC[C@]1([C@H](Br)c2c(F)cc(Br)c(F)c2Br)CC1(F)F 2272843955 UNTHJELOMQQXNY-GHMZBOCLSA-N 468.908 6.361 50 10 JKGE Cc1cc(OCc2cc(Br)ccc2Br)cc(C)c1CBr 2282786191 BTIUBHSZSOWZMQ-UHFFFAOYSA-N 463.007 6.302 50 10 JKGE CCOCc1cc(Br)c([C@H](Cl)c2c(F)cccc2I)s1 2282888379 NZOZLAOJHUCRJL-CYBMUJFWSA-N 489.575 6.119 50 10 JKGE Fc1cc(Br)c(F)c(Br)c1[C@H](Br)C[C@@H]1CCCC1(F)F 2288360189 UYNGOKDILITKFF-NKWVEPMBSA-N 482.935 6.751 50 10 JKGE CCCCOc1ccccc1C=C(C#N)C(=O)Nc1ncc(Cc2ccc(Br)cc2)s1 2293038689 UGCHCVMLBCPOJA-UHFFFAOYSA-N 496.430 6.221 50 10 JKGE Cc1c(Br)ccc([C@H](Br)c2ccc(C(F)(F)F)s2)c1Br 2295255852 FJERTKFCKHEOCL-LBPRGKRZSA-N 492.980 7.085 50 10 JKGE CC1(C)[C@H]2CC[C@@H](C2)[C@@H]1[C@@H](Br)Cc1cc(Br)cc(Br)c1 2295336212 STDWPUQUPBPKDM-GVAFMPQTSA-N 465.067 6.590 50 10 JKGE N#CC(=CNc1cc(C(F)(F)F)ccc1Cl)c1nc(-c2ccc(-c3ccccc3)cc2)cs1 2295882867 RDNPGEQARXSUSK-UHFFFAOYSA-N 481.930 8.126 50 10 JKGE CC(C)(C)c1ccc(C=C(C#N)C(=O)Nc2ncc(Cc3cc(Cl)ccc3Cl)s2)cc1 2296833282 TULVSRGEWHERKR-UHFFFAOYSA-N 470.425 6.884 50 10 JKGE Brc1cc(OCc2ccccc2)ccc1[C@H](Br)[C@H]1CC2(CC2)CO1 2299490078 VQPVZMOOGNXJIE-MOPGFXCFSA-N 452.186 6.033 50 10 JKGE CCCC1([C@@H](Br)c2cc(Br)ccc2OCc2ccccc2)CCC1 2299492578 DADVHDHWKSHKJR-FQEVSTJZSA-N 452.230 7.435 50 10 JKGE CO[C@@H]1CC[C@H]([C@H](Br)c2ccc(OCc3ccccc3)cc2Br)C1 2299493670 HCWQOGCHOZOVEY-YRNRMSPPSA-N 454.202 6.279 50 10 JKGE COc1cc([C@H](Br)c2sc(Br)cc2Br)sc1Cl 2301933216 OXRHYUPOUGIFQT-QMMMGPOBSA-N 481.456 6.481 50 10 JKGE BrCC1(OCc2cc(I)ccc2Br)CCCC1 2302814726 SRJGCXVVSDCPQO-UHFFFAOYSA-N 473.974 5.278 50 10 JKGE COc1ccc(CNC(=O)C(C#N)=Cc2cc(Br)ccc2OCc2ccc(C)cc2)cc1 2313683460 IDMYLEOZOUOXIR-UHFFFAOYSA-N 491.385 5.569 50 10 JKGE Cc1ccc([C@H](Br)c2cc(Br)ccc2OCc2ccccc2)c(Cl)c1 2314447930 CSDOFSKIEPOFHO-NRFANRHFSA-N 480.627 7.474 50 10 JKGE Brc1ccc(OCc2ccccc2)c([C@@H](Br)[C@H]2CC3CCC2CC3)c1 2314448964 MCVQLINIAWVSFA-FVLIJFDMSA-N 464.241 7.290 50 10 JKGE FC(F)(F)C(F)(F)C[C@@H](Br)c1cc(Br)ccc1OCc1ccccc1 2314451816 IESUOYAUNHBMNR-CQSZACIVSA-N 488.088 7.052 50 10 JKGE CCCOc1ccc(-c2nn(-c3ccccc3)cc2C=C(C#N)C(=O)NCc2ccccc2)cc1Cl 2314476550 QKUQNWIBMOODGL-UHFFFAOYSA-N 496.998 6.205 50 10 JKGE COc1ccc(C=C(C#N)c2nc(-c3ccc(Br)cc3)cs2)cc1Br 2314499200 WXRPPJXDLDWMKX-UHFFFAOYSA-N 476.193 6.408 50 10 JKGE COc1cc(C=C(C#N)c2ccccc2)ccc1OC(=O)CCCCCN1C(=O)c2ccccc2C1=O 2314720449 PEHCQWMVZKZNBA-UHFFFAOYSA-N 494.547 5.521 50 10 JKGE COc1ccc(CCN(Cc2ccccc2)[C@@H](CBr)C2CC2)c(Br)c1 2317227681 XQYRTLREUXITNZ-NRFANRHFSA-N 467.245 5.676 50 10 JKGE O=C(CCc1ccccc1Br)NN=C1C(=O)N(Cc2ccccc2Cl)c2ccccc21 2326846203 RVMPHNQTMXUAMH-UHFFFAOYSA-N 496.792 5.102 50 10 JKGE CCc1ccc(C(C)=CC(=O)N[C@H](Cc2ccc(O)cc2)C(=O)Nc2ccc(SC#N)cc2)cc1 2329502903 NDUVMCYOWAOPMB-AREMUKBSSA-N 485.609 5.297 50 10 JKGE CCOc1ccc(-c2csc(C(C#N)=C(O)C=Cc3ccc(C(C)C)cc3)n2)c(OCC)c1 2331386460 BFRZDUHCGINIAJ-UHFFFAOYSA-N 460.599 7.237 50 10 JKGE COc1ccc(C=CC(O)=C(C#N)c2nc(-c3cc(C)c(Cl)cc3OC)cs2)cc1OC 2331390644 XDFIVNAKVMUTBT-UHFFFAOYSA-N 468.962 6.304 50 10 JKGE COc1cc(Cl)c(C)cc1-c1csc(C(C#N)=Cc2cc(OC)c(OC)c(OC)c2)n1 2331474097 DDRPCGVVCBEOFX-UHFFFAOYSA-N 456.951 5.871 50 10 JKGE Brc1ccc(OCc2ccccc2)c([C@@H](Br)[C@@H]2Cc3ccccc3O2)c1 2336048737 WYDFXSDPCCNKRN-FCHUYYIVSA-N 474.192 6.468 50 10 JKGE Cc1csc([C@H](Br)c2c(Cl)cc(Br)c(F)c2Br)c1C 2337094727 SDHAFUFWYLARSZ-LLVKDONJSA-N 491.445 7.167 50 10 JKGE Fc1c(Br)cc(Cl)c([C@H](Br)C2CC3(COC3)C2)c1Br 2337096707 IIFDHNWMTFLANK-SNVBAGLBSA-N 477.393 5.867 50 10 JKGE Cc1ccc([C@@H](Cl)c2c(Br)c(Br)nn2C)c(C)c1Br 2338720852 ULUUCHJVBYWFAU-LLVKDONJSA-N 471.418 5.653 50 10 JKGE COc1c(Br)cc(C)c([C@H](Br)[C@@H]2CC[C@H]2OC)c1Br 2339658026 DMNUBEICAYTUSK-HLUHBDAQSA-N 457.000 5.390 50 10 JKGE Fc1cc(Cl)c([C@@H](Br)c2ccc(Cl)cc2I)cc1F 2340062934 FTTFSJDLSOQTRO-ZDUSSCGKSA-N 477.901 6.361 50 10 JKGE Cc1scc([C@H](Br)c2c(F)cc(F)c(Br)c2F)c1Br 2343562120 CLNVVEMJOQFSSW-JTQLQIEISA-N 478.953 6.483 50 10 JKGE C[C@@H]1[C@@H](Br)C[C@H]2CC[C@H]1N2Cc1ccc(I)c(Br)c1 2349848248 QZFSNELULUYVLO-ADGXKJENSA-N 499.028 5.190 50 10 JKGE Fc1c(Br)cc(Cl)c([C@@H](Cl)CC2CC(C(F)F)C2)c1Br 2362241431 XDHKCMQYAAYRPC-QIECLKSESA-N 454.939 6.965 50 10 JKGE COc1cc(F)c(CCl)c(Oc2cc(Br)cc(I)c2)c1 2364107654 UNMCGCDOGPYASR-UHFFFAOYSA-N 471.491 5.733 50 10 JKGE COc1c(Br)cc(C)c([C@@H](Br)[C@@H]2C[C@@H]3CC[C@H]2C3)c1Br 2365195437 BNNFGLLGMNUBLW-DEKYYXRVSA-N 467.039 6.401 50 10 JKGE Cc1cc(Br)c(F)c(Br)c1[C@@H](Cl)c1cc(F)cc(Br)c1 2365223671 PTEPLBQLUAOCEU-ZDUSSCGKSA-N 489.379 6.889 50 10 JKGE CCN(C[C@@](C)(CBr)OCc1cccc(C(F)(F)F)c1)C(=O)OC(C)(C)C 2381510925 ULIGPZTUEGUTEU-GOSISDBHSA-N 454.327 5.633 50 10 JKGE CCOc1cc(/C=C(\C#N)c2ccc(C#N)cc2)ccc1OCc1ccc(Br)cc1 2864232 PMWIAPHZGCALTF-LPYMAVHISA-N 459.343 6.363 50 10 JKGE N#C/C(=C(/Nc1ccc(F)cc1F)SCC(=O)N1CCCCCC1)c1nc2ccccc2s1 12311810 CDVRCMPVACSXBO-HAVVHWLPSA-N 484.597 6.015 50 10 JKGE Cc1ccccc1N[C@@H](C)C(=O)N/N=C/c1ccccc1OCc1ccc(Br)cc1 27528092 JNAHFEHTWZHYDY-CMPFEXHJSA-N 466.379 5.287 50 10 JKGE Cc1cc(/C=C(/C#N)C(=O)c2cc(C)n(C3CCCC3)c2C)c(C)n1-c1ccc(Br)cc1 33397691 DPVXUMQTBIRQKO-JCMHNJIXSA-N 490.445 7.180 50 10 JKGE CCOc1cc(/C=C(/C#N)c2nc3ccccc3s2)ccc1OC(=O)c1ccc(OC)cc1 33536362 RWFUTTYMJNWVAS-RGEXLXHISA-N 456.523 5.987 50 10 JKGE COCCCNC(=O)/C(C#N)=C\c1cn(-c2ccccc2)nc1-c1cccc(OCc2ccccc2)c1 35445979 FDGULOIMXRPSGE-BWAHOGKJSA-N 492.579 5.178 50 10 JKGE CCOc1cc(/C=C2/C(=O)N(Cc3ccco3)C(=O)C(C#N)=C2C)ccc1OCc1ccccc1 38606946 PZXXUTHJBVCEAA-OEAKJJBVSA-N 468.509 5.050 50 10 JKGE COc1cccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4ccc(Cl)cc4Cl)ccc32)c1OC 38658799 YIYFZICHSLHBOY-JOCHJYFZSA-N 497.334 5.448 50 10 JKGE CCOc1ccccc1[C@H]1C(C#N)=C(N)Oc2cc(OC(=O)c3oc4cc(C)cc(C)c4c3C)ccc21 38687458 IOCFURWRCBKWQC-HHHXNRCGSA-N 494.547 6.194 50 10 JKGE Cc1c(C(=O)Nc2cc(Cl)cc(Cl)c2)oc2c1/C(=N/NC(=O)Cc1ccccc1)CCC2 40815723 AFZFODCJNGMVGF-TURZUDJPSA-N 470.356 5.546 50 10 JKGE COc1cccc(C(=O)N/N=C2\CCCc3oc(C(=O)Nc4ccccc4Br)c(C)c32)c1 40822375 SXNZETLOMIQROZ-ZXVVBBHZSA-N 496.361 5.082 50 10 JKGE Cc1occc1C(=O)N/N=C1\CCCc2oc(C(=O)NN(c3ccccc3)c3ccccc3)c(C)c21 40823506 ATVSVKBRSXOBGI-BYNJWEBRSA-N 482.540 5.443 50 10 JKGE CCCCOc1ccc(/C=N/NC(=O)CCCOc2ccc(C(C)(C)C)cc2Br)cc1 40951384 JFXKNSXSPUGNKX-OVVQPSECSA-N 489.454 6.235 50 10 JKGE CCOc1ccc(/C=N/NC(=O)CCCOc2ccc(C(C)(C)C)cc2Br)cc1OC 40951432 LDOZNBGBPNFLHM-WGOQTCKBSA-N 491.426 5.463 50 10 JKGE CCCCOc1ccc2nc(NC(=O)/C(C#N)=C/c3ccc(OCC)c(OC)c3)sc2c1 40977749 SNRLKVGLXBMUBJ-SFQUDFHCSA-N 451.548 5.428 50 10 JKGE COc1cc(/C=N/NC(=O)c2ccc(C(C)(C)C)cc2)ccc1OC(=O)c1ccc(Cl)cc1Cl 48573917 QCTMQAZNBAUZDE-WKULSOCRSA-N 499.394 6.283 50 10 JKGE O=C(CC[C@H](O)c1ccccc1)N/N=C\c1ccc(OCc2ccc(Cl)cc2Cl)cc1 58886481 KBHKMPHPJRLQSG-XKCSFVINSA-N 457.357 5.536 50 10 JKGE C/C(=N/NC(=O)CCCSc1nc2ccc([N+](=O)[O-])cc2s1)c1ccc(Br)cc1 58990955 HNTZMCFUKLUQIT-UUYOSTAYSA-N 493.408 5.380 50 10 JKGE ClCCc1nc2cc(I)ccc2n1Cc1cc(Br)cs1 97355198 JJKYARLWNDCOCJ-UHFFFAOYSA-N 481.584 5.295 50 10 JKGE Fc1cc(Br)c(Cl)cc1[C@@H](Br)c1cccc(Br)c1 97895748 RSOOAPMHADZFSV-ZDUSSCGKSA-N 457.362 6.488 50 10 JKGE CCc1ccc(N2C(=O)[C@H](Cc3ccccc3)S/C2=C(/C#N)C(=O)N[C@@H](C)c2ccccc2)cc1 101242787 GUKKGPPGKPXGAG-OSNVHYDOSA-N 481.621 5.553 50 10 JKGE CCCCCCCCOc1ccc(/C=C2/C(=O)N(CCCC)C(=O)C(C#N)=C2C)cc1OC 101333176 GLEHAIPKLXYLMG-OQKWZONESA-N 452.595 5.827 50 10 JKGE COc1cc(/C=C2/C(=O)N([C@@H](C)c3ccccc3)C(=O)C(C#N)=C2C)ccc1OCc1ccccc1 101337855 XKCIUMCUKXFLNQ-HUXSYLCKSA-N 478.548 5.628 50 10 JKGE COc1cc(/C=C(/C#N)c2nc3ccccc3n2C)ccc1OCc1ccc(Br)cc1 103761727 SFNPRYHIIMZWNV-UYRXBGFRSA-N 474.358 5.988 50 10 JKGE COc1ccc(Br)cc1C[C@H](CBr)c1ccc(Br)cc1 118851472 LJMQZKVEZIXMML-CYBMUJFWSA-N 463.007 5.941 50 10 JKGE O=C(N[C@H](CBr)c1ccccc1)c1cc(Br)c(Br)s1 122280555 BVSCYNKPYWKNOF-SNVBAGLBSA-N 468.008 5.139 50 10 JKGE Fc1cc(Br)cc(C[C@@H](CBr)c2ccc(Br)cc2)c1 125111830 LGHPLAHPUNFTNJ-LBPRGKRZSA-N 450.971 6.072 50 10 JKGE Brc1ccc([C@@H](Br)c2cc(Br)c(Br)s2)cc1 128281865 USFWUDLNFDDTRD-SNVBAGLBSA-N 489.852 6.520 50 10 JKGE Brc1cc(Br)cc([C@@H](Br)c2sccc2Br)c1 232482738 QMRYIOFXYJGKQK-SNVBAGLBSA-N 489.852 6.520 50 10 JKGE O=C(c1cc(Br)sc1Br)N(CCBr)Cc1ccccc1 232487543 LHOYQKOZCSHLNN-UHFFFAOYSA-N 482.035 5.310 50 10 JKGE Fc1ccc([C@@H](Br)c2cc(Br)ccc2I)cc1 236170737 LSDSGJBHMLVVBX-CYBMUJFWSA-N 469.917 5.677 50 10 JKGE CCCCOc1ccc(C(=O)Oc2ccc(C=NNC(=O)c3cccc4ccccc34)cc2)cc1 254385726 OFFSAGCLKNXTHU-UHFFFAOYSA-N 466.537 6.002 50 10 JKGE COC(=O)[C@H](C)[C@@H]1CC[C@@H]2[C@@]34CC[C@@]5(C[C@H](OC(=O)c6ccccc6)CC[C@@]5(C)C3=CC[C@@]12C)OO4 254413567 UUHHCZJOUIVZEG-AONRCCQJSA-N 494.628 5.807 50 10 JKGE O=C(CCn1c(-c2ccccc2)c(-c2ccccc2)c2ccccc21)NN=Cc1c[nH]c2ccccc12 254742076 UKGGFIWNEGAIAX-UHFFFAOYSA-N 482.587 6.997 50 10 JKGE Cc1ccc(-n2c(SCC(=O)NN=Cc3ccc(C(F)(F)F)cc3)nnc2-c2ccccc2)cc1 254875577 XNIUTDDNOMOSTO-UHFFFAOYSA-N 495.530 5.504 50 10 JKGE C[C@H](Cl)c1nc2cc(I)c(F)cc2n1C1CCN(Cc2ccccc2)CC1 312146226 FYDNJBMJEVGJNG-AWEZNQCLSA-N 497.783 5.917 50 10 JKGE O=C(OCc1ccccc1)N1C[C@@H](CBr)[C@@H](c2ccc(Br)cc2)C1 382732070 UZCLACVGROIGEO-SJLPKXTDSA-N 453.174 5.196 50 10 JKGE Brc1ccc(Br)c([C@@H](Br)c2ccc3sccc3c2)c1 386190203 BOSLYXBPHKKTJY-HNNXBMFYSA-N 461.016 6.911 50 10 JKGE CCC(CBr)(CBr)NC(=O)c1cc(Cl)c(C)cc1Br 389183667 LKGMTIPHYOHMDN-UHFFFAOYSA-N 476.434 5.079 50 10 JKGE COc1cccc([C@@H](Br)c2cc(Br)c(C)cc2Br)c1F 397466921 RNBGWSZNNATHSN-CQSZACIVSA-N 466.970 6.152 50 10 JKGE C[C@H]1CN(c2ccc(Br)cc2CBr)[C@H](C)[C@H](C)N1Cc1ccccc1 404260322 DAKOCTIBKWADTP-YESZJQIVSA-N 466.261 5.832 50 10 JKGE CCOC(=O)[C@@H]1[C](n2c(C)cc(/C=C(/C#N)C(=O)Nc3ccco3)c2C)SC2=C1CCCC2 585087418 WSQYSNFYMONTDR-CHMLTUNVSA-N 464.567 5.335 50 10 JKGE CC(C)(C)OC(=O)Nc1cccc([C@H]2COCCCN2CCO[Si](C)(C)C(C)(C)C)c1 616646836 WXFDHVWTVYCUJN-OAQYLSRUSA-N 450.696 5.819 50 10 JKGE C[C@H]1[C@H](Br)C[C@H]2CC[C@H]1N2C(=O)c1cc(Br)c(Br)s1 686193203 MJBBPSDOKOIMLI-OKJYPTKPSA-N 472.040 5.050 50 10 JKGE COCc1cc(Br)c([C@H](Cl)c2scc(Br)c2Br)s1 705476536 PIXWUESZRBPWDL-VIFPVBQESA-N 495.483 6.572 50 10 JKGE O=C(Nc1cccc(CCCl)c1)c1ccc(I)c(Br)c1 721605979 UXLQLIPCVPRBPL-UHFFFAOYSA-N 464.528 5.087 50 10 JKGE Cc1sc(C)c([C@@H](Br)c2cc(Br)cc(Br)c2)c1C 722488485 ZDMLJRIHZNGVDT-AWEZNQCLSA-N 453.037 6.683 50 10 JKGE COc1cc(Br)ccc1[C@@H](Br)c1sc(C)c(Br)c1C 724912360 BUDMBIXIRDIGFX-CYBMUJFWSA-N 469.036 6.383 50 10 JKGE COc1ccc(C(=O)NN=Cc2c(Br)c(C)n(-c3ccc(C)cc3C)c2C)cc1 1084049184 XOXCKXYDGGHZLN-UHFFFAOYSA-N 454.368 5.246 50 10 JKGE CCc1ccc(OCC(=O)NN=Cc2cccc(Oc3ccccc3)c2)c(Br)c1 1084074411 LRUMDUKVNQHCGE-UHFFFAOYSA-N 453.336 5.333 50 10 JKGE CC(=O)c1ccc(-c2ccc(C=NNC(=O)c3ccc(-n4c(C)ccc4-c4ccccc4)cc3)o2)cc1 1084304071 KWVALBBVTJHINH-UHFFFAOYSA-N 487.559 6.679 50 10 JKGE Cc1cccc(-n2c(C)c(Br)c(C=NNC(=O)[C@H](C)SCc3ccccc3)c2C)c1 1084467371 MBEDAUURONMGQU-IBGZPJMESA-N 484.463 5.937 50 10 JKGE O=C(CCCNc1ccc(Br)cc1)NN=Cc1ccc2ccc3cccc4ccc1c2c34 1084481965 YKDFVMBIHGKNOR-UHFFFAOYSA-N 484.397 6.689 50 10 JKGE Cc1ccc(Cl)cc1NC(=O)C(=O)NN=Cc1cc(C)n(-c2ccccc2C(F)(F)F)c1C 1084534397 PUVMTVGFFXPWHX-UHFFFAOYSA-N 476.886 5.164 50 10 JKGE ClCc1cc(-c2cccc(I)c2)nn1-c1cc(Cl)ccc1Cl 1614821051 PQQUHZUIXGGVJD-UHFFFAOYSA-N 463.533 6.190 50 10 JKGE CCOc1cc(C=NNC(=O)CSc2nc3ccccc3[nH]2)ccc1OCc1cccc(C)c1 1772760620 ZCSFQUWJSLRVJF-UHFFFAOYSA-N 474.586 5.091 50 10 JKGE CCCc1nn(-c2cccc(Cl)c2)c2c1[C@@H](c1cccc(Br)c1)C(C#N)=C(N)O2 1865683802 IPVWSYLTGWZYDZ-IBGZPJMESA-N 469.770 5.459 50 10 JKGE N#CC1=C(N)Oc2c(c(-c3ccccc3)nn2Cc2c(F)cccc2Cl)[C@@H]1c1ccc(O)cc1 1865684572 SFGNEUJKCAFWEO-JOCHJYFZSA-N 472.907 5.315 50 10 JKGE Cc1ccc([C@H]2C(C#N)=C(N)Oc3c2c(-c2ccccc2)nn3Cc2cccc(Cl)c2)cc1 1865685829 NNQUDTSZAZRWKZ-QHCPKHFHSA-N 452.945 5.778 50 10 JKGE CCOc1ccc([C@@H]2C(C#N)=C(N)Oc3c2c(-c2ccc(OC)cc2)nn3CC(C)C)cc1OCC 1865690025 ZJOOAEZZRLBHIH-XMMPIXPASA-N 488.588 5.230 50 10 JKGE Cc1ccc(C)c(Cn2nc(C)c3c2OC(N)=C(C#N)[C@H]3c2ccc(OCc3ccccc3)cc2)c1 1865690132 JJSXKMCOYYRLPK-MUUNZHRXSA-N 476.580 5.654 50 10 JKGE CCCCOc1ccc([C@H]2C(C#N)=C(N)Oc3c2c(CCC)nn3Cc2ccc(F)cc2)cc1 1865692336 LJXOZNZONQNHJT-DEOSSOPVSA-N 460.553 5.420 50 10 JKGE Cc1nn(Cc2ccccc2)c2c1[C@H](c1ccc(OCc3ccc(Cl)cc3)cc1)C(C#N)=C(N)O2 1865694920 FORBOWZSBNTLGV-AREMUKBSSA-N 482.971 5.690 50 10 JKGE CCc1ccc([C@@H]2C(C#N)=C(N)Oc3c2c(-c2ccccc2)nn3Cc2cccc(Cl)c2)cc1 1865708693 CVGTZBZCCYXFGJ-XMMPIXPASA-N 466.972 6.032 50 10 JKGE N#CC1=C(N)Oc2c(c(-c3ccccc3)nn2-c2ccc(Cl)cc2)[C@@H]1c1ccc(C(F)(F)F)cc1 1865711301 VBCQLALPJDTBAG-OAQYLSRUSA-N 492.888 6.430 50 10 JKGE Cc1nn(Cc2c(F)cccc2Cl)c2c1[C@H](c1ccc(C(F)(F)F)cc1)C(C#N)=C(N)O2 1865711479 ZMFPEOQFYXOTPI-LJQANCHMSA-N 462.834 5.269 50 10 JKGE CCc1ccc(-c2ccc(C(=O)NNC(=O)[C@@H](Cc3ccccc3)c3ccccc3)c(C)n2)cc1 1865758653 LEYXJJVIPJTSBO-MHZLTWQESA-N 463.581 5.407 50 10 JKGE COC(=O)c1ccc(/C(C#N)=C/c2cc(Br)c(OCc3ccccc3)c(OC)c2)o1 1872728579 KENBLCJINBFYJD-LICLKQGHSA-N 468.303 5.480 50 10 JKGE CC(C)[C@H](/C(O)=C(\C#N)c1nc(-c2cccc3ccccc23)cs1)N1C(=O)c2ccccc2C1=O 1872752301 VRUCQEJBMGOKCF-FOSWXRMZSA-N 479.561 6.077 50 10 JKGE COc1c(C)cc(Cl)cc1-c1csc(/C(C#N)=C(\O)[C@H](C)N2C(=O)c3ccccc3C2=O)n1 1872757232 VYAQPHGYIRUJNT-HGENEIFLSA-N 479.945 5.258 50 10 JKGE COc1ccc(-c2csc(/C(C#N)=C(\O)C(c3ccccc3)c3ccccc3)n2)c(OC)c1OC 1872759232 HXGVWPALIZYJRT-DAFNUICNSA-N 484.577 6.461 50 10 JKGE CCCOc1ccc(-c2csc(/C(C#N)=C/c3ccc(OCCc4ccccc4)c(OC)c3)n2)cc1 1872790904 KYEVERVIIBNZFH-XIEYBQDHSA-N 496.632 7.293 50 10 JKGE CCN(CC)c1ccc(/C=C(\C#N)c2nc(-c3ccc(Oc4ccccc4)cc3)cs2)cc1 1872793355 WAVKBXKSHHVIMK-PTGBLXJZSA-N 451.595 7.513 50 10 JKGE CCOc1ccc(-c2csc(/C(C#N)=C/c3cc(Br)ccc3O)n2)c(OCC)c1 1872793604 JVBXRGFTHQPZTQ-OQLLNIDSSA-N 471.376 6.140 50 10 JKGE N#C/C(=C(O)\C(=C/c1ccccc1)c1ccccc1)c1nc(-c2ccc3ccccc3c2)cs1 1873940685 CNTHBURHPQBPMJ-PUZYTEFZSA-N 456.570 7.997 50 10 JKGE N#C/C(=C(O)\C=C\c1ccc(OCc2ccccc2)cc1)c1nc(-c2ccc3ccccc3c2)cs1 1873941081 VNSIENWEPZUZAR-CTWKVTEGSA-N 486.596 8.048 50 10 JKGE CC[C@H](Cl)CN(Cc1ccccc1)c1ncc(I)cc1Br 1888099298 RJADKGRDRRKGAE-ZDUSSCGKSA-N 479.587 5.473 50 10 JKGE Clc1ccc(CN(CCBr)Cc2ccccc2)c(I)c1 1889667538 ZKYAJOJPJQEZLT-UHFFFAOYSA-N 464.572 5.342 50 10 JKGE C[C@]1(C(F)(F)F)C[C@@H]1Oc1c(Br)cc(Br)cc1CBr 1909563181 PCXIXHNWAJFFDT-ONGXEEELSA-N 466.917 5.826 50 10 JKGE O=C(c1scc(Br)c1Br)N1CC2(CCCC2)C[C@@H]1CBr 1912776413 JTYARWOBGHQODL-SECBINFHSA-N 486.067 5.443 50 10 JKGE C[C@H](CCBr)N(Cc1ccccc1)C(=O)c1ccc(Cl)cc1Br 1915129786 CVLQZEXNNUSETJ-CYBMUJFWSA-N 459.609 5.918 50 10 JKGE CC(C)[C@@H](CBr)N(Cc1ccccc1)c1ncc(Br)c2ccsc12 1915308151 CNADQYGJBDMEEG-QGZVFWFLSA-N 468.258 6.485 50 10 JKGE CN(C[C@@H](Cl)COCc1ccccc1)C(=O)c1cc(Br)sc1Br 1916383709 OGRYBNLCBGIRFV-GFCCVEGCSA-N 481.637 5.169 50 10 JKGE Clc1c(Br)sc(Br)c1[C@@H](Br)[C@H]1Cc2ccccc2O1 1923068212 OHWZFYGNCVVTAN-SCZZXKLOSA-N 487.438 6.366 50 10 JKGE Clc1c(Br)sc(Br)c1[C@H](Br)[C@@H]1CCCc2ccccc21 1923073594 YHVLPFCJFUKWAL-ZYHUDNBSSA-N 499.493 7.483 50 10 JKGE Clc1c(Br)cccc1[C@H](Br)Cc1ccncc1Br 1924053029 QELSQTAVLMWFDM-LLVKDONJSA-N 454.387 5.939 50 10 JKGE CCC[C@@H](C(C)C)[C@@H](Cl)c1c(Br)sc(Br)c1Br 1924615024 VKTLKXFEPUJZGH-OIBJUYFYSA-N 467.492 7.388 50 10 JKGE Cl[C@H](c1c(Br)sc(Br)c1Br)[C@@]12CCCC[C@@H]1OCC2 1924616816 TXYPIRSFVLDVCV-JVQVWZCXSA-N 493.486 6.665 50 10 JKGE Cc1cc(Br)sc1[C@@H](Br)c1cc(Br)ccc1Cl 1950208856 VZNVZLOCWCPVAW-NSHDSACASA-N 459.428 6.719 50 10 JKGE Brc1sc(Br)c([C@H](Br)C2[C@H]3CC[C@H]23)c1Br 1958608312 QCXQATAKYZNXLP-VJJSXZLQSA-N 479.857 6.128 50 10 JKGE Brc1ccc([C@@H](Br)c2ccccc2)c(I)c1 1995286294 RDQMCOJPMVAQNZ-ZDUSSCGKSA-N 451.927 5.538 50 10 JKGE Fc1ccc(I)cc1[C@H](Br)c1ccc(Br)cc1 2003649823 NUNXVBKJXVYEOS-CYBMUJFWSA-N 469.917 5.677 50 10 JKGE Cc1sc([C@H](Br)c2nn(C)c(Cl)c2Br)c(C)c1Br 2048155128 RMAJQLBAULRHLI-SSDOTTSWSA-N 477.447 5.761 50 10 JKGE FC(F)(F)[C@@H]1C[C@@H]1C[C@@H](Br)c1c(Br)sc(Br)c1Cl 2065505180 JLBDQJNKLCCURU-UOWFLXDJSA-N 491.392 6.951 50 10 JKGE COc1cc([C@@H](Br)c2cc(C)c(Br)s2)ccc1Br 2072060864 JABSKZZVWMWETK-GFCCVEGCSA-N 455.009 6.074 50 10 JKGE Cc1c(Cl)cccc1[C@@H](Br)c1ccc(Br)cc1Br 2083341323 YKJKIXNBBVUWEF-CQSZACIVSA-N 453.399 6.658 50 10 JKGE CCN(C[C@@](C)(CI)O[C@@H]1CCCC(F)(F)CC1)C(=O)OC(C)(C)C 2085964444 VZRAMIZGCKMYCF-RHSMWYFYSA-N 475.358 5.422 50 10 JKGE CC1(C)CCC[C@]1(CBr)NC(=O)c1cc(Br)c(Br)s1 2094147325 VUOLHDBSRYMPHR-CYBMUJFWSA-N 474.056 5.347 50 10 JKGE CCn1cc(Br)c(C[C@H](CBr)c2cccc(Br)c2)n1 2124742738 DDJJOGKRHGWYCI-LLVKDONJSA-N 451.000 5.149 50 10 JKGE Fc1cscc1CC(CBr)(CBr)c1cccc(Br)c1 2125520722 OXENYUIYPHGQSG-UHFFFAOYSA-N 471.027 5.920 50 10 JKGE Cc1c(Br)sc([C@@H](Br)C(F)(F)C2CCOCC2)c1Br 2128895437 FDIZVRXBTPQTPT-SNVBAGLBSA-N 483.010 6.079 50 10 JKGE Cc1cc(Br)c(C)c([C@@H](Br)C(C(C)C)C(C)C)c1Br 2136379922 PJKHRIFDQVAXOG-INIZCTEOSA-N 455.072 7.193 50 10 JKGE Cc1c(Br)ccc([C@H](Br)[C@]2(C)C[C@@H]2C(F)(F)F)c1Br 2138874001 SAUZWMHIKZJHFR-ZMLRMANQSA-N 464.945 6.545 50 10 JKGE O=C(NCc1cccc(CBr)c1)c1cccc(Br)c1Br 2148769423 KATLISFUSWQSFV-UHFFFAOYSA-N 461.979 5.037 50 10 JKGE C[C@H](Cl)c1nc2cc(Cl)c(Br)cc2n1Cc1cnn(Cc2ccccc2)c1 2169011547 PUGLXPCCVSWEGR-ZDUSSCGKSA-N 464.194 6.045 50 10 JKGE CC[C@@H](Br)[C@H]1CCCCN1C(=O)c1cc(Cl)ccc1I 2170618641 ZXYFBGCQSOJDGG-TZMCWYRMSA-N 470.576 5.113 50 10 JKGE CN(C(=O)c1cc(Br)ccc1I)[C@H]1CCCCC[C@@H]1Cl 2172548565 VIKFNEXJIJYNEJ-JSGCOSHPSA-N 470.576 5.066 50 10 JKGE C[C@@H]1CCCC[C@@]12[C@@H](Oc1c(Br)cccc1Br)C[C@H]2Br 2173629305 MUVMNVITTKWPFT-HPAJIGNASA-N 467.039 6.323 50 10 JKGE Cc1cccc(C[C@H](CBr)Cc2cc(Br)ccc2Br)c1 2175146061 AIXILVNWZVZSCD-AWEZNQCLSA-N 461.035 6.316 50 10 JKGE O=C(NCC[C@@H]1CCCC[C@@H]1Br)c1cc(Br)cc(Br)c1 2179634288 FGPBBKLTDNQYHY-HZMBPMFUSA-N 468.027 5.285 50 10 JKGE CC1(C)CCCN(C(=O)c2cc(Br)cc(Br)c2)[C@@H]1CBr 2185809136 XRYCLMONQULBTE-CYBMUJFWSA-N 468.027 5.237 50 10 JKGE CN(c1c(CCl)ccc(Br)c1Cl)[C@@H]1C[C@@H]2C[C@H](OCc3ccccc3)C[C@H]21 2190538636 ZJZMIEPQGCEDSM-PNYFIKQUSA-N 469.250 6.661 50 10 JKGE C[C@@H](CCC(CBr)(CBr)c1cccc(Br)c1)C(F)(F)F 2191529089 ICFUBKXEXSNCOI-JTQLQIEISA-N 480.988 6.455 50 10 JKGE CCCCCc1ccc([C@@H](Br)c2ccc(I)c(Cl)c2)s1 2197259691 ZKZBFQLYTZORAZ-INIZCTEOSA-N 483.640 7.223 50 10 JKGE C[C@@H]1C[C@H](Cl)C[C@H](c2sc(Br)c(Br)c2Br)C1 2212197525 FUCJAZQOOPIBOX-XVMARJQXSA-N 451.449 6.547 50 10 JKGE Cc1sc(Br)c(C)c1[C@@H](Br)c1ccc(Br)cc1Cl 2218801045 QGRNRXYQPRDHHK-LBPRGKRZSA-N 473.455 7.028 50 10 JKGE Cc1nsc(Br)c1[C@@H](Br)Cc1ccc(Br)cc1Cl 2221692931 JLKVWBIUISFWKU-VIFPVBQESA-N 474.443 6.309 50 10 JKGE CC1(C)CCC[C@](CBr)(Cc2c(Br)cccc2Br)O1 2226865077 LDZPTNSESCMIKH-OAHLLOKOSA-N 455.028 5.867 50 10 JKGE Cc1ccc(I)c([C@@H](Br)Cc2c(Cl)cccc2Cl)c1 2232235349 VXDKJXAGWYEJDZ-LBPRGKRZSA-N 469.975 6.585 50 10 JKGE Cc1cc(Br)c([C@H](Br)Cc2cccc(Br)c2)c(C)c1Cl 2232529226 LEEBVEBZPOLNED-CQSZACIVSA-N 481.453 7.161 50 10 JKGE ClCc1nc2cc(Br)c(Br)cc2n1Cc1cnc(Cl)s1 2234056255 GZPXAGZOTFEXMF-UHFFFAOYSA-N 455.990 5.458 50 10 JKGE CCCCCCc1ccc([C@H](Br)c2cnn(C)c2I)s1 2234126894 QFGVUGNUJUUMMQ-CQSZACIVSA-N 467.214 5.693 50 10 JKGE CCn1ncc(Br)c1[C@@H](Br)c1cc(C)c(OC)cc1Br 2236016091 YBQFQZVVPBFHIL-ZDUSSCGKSA-N 466.999 5.229 50 10 JKGE CC1(C)CC(C)(CO[C@@](C)(CI)c2ccccc2Br)C1 2236462034 RQNCFKMUSDDAJU-KRWDZBQOSA-N 451.186 5.942 50 10 JKGE C[C@@H](Cl)c1nc2cnc(C(F)(F)F)cc2n1CCCN(Cc1ccccc1)Cc1ccccc1 2237597028 KHMZXZRSHILCGE-LJQANCHMSA-N 486.969 6.842 50 10 JKGE O=C(c1cc(Br)cc(Br)c1)N1C[C@@H](Br)CC12CCCC2 2241028041 AJGCFCZIZCHPGX-ZDUSSCGKSA-N 466.011 5.134 50 10 JKGE COc1ccc([C@H](Br)c2nscc2Br)cc1I 2248896562 UKJKMGMMYMZPSY-JTQLQIEISA-N 488.970 5.003 50 10 JKGE C[C@H](CCCl)N(Cc1ccccc1)C(=O)Cc1cc(Br)cc(Br)c1 2252799217 GZCPXGJNBIEJKO-CQSZACIVSA-N 473.636 5.800 50 10 JKGE COc1c(Br)cc(Cl)cc1[C@@H](Br)c1occc1Br 2253402883 JQTJASZFVGWFJN-SNVBAGLBSA-N 459.359 5.951 50 10 JKGE Clc1c(Br)sc(Br)c1[C@@H](Br)[C@@H]1COC2(CCC2)C1 2257144209 MTDYZFPDAFLKGP-XPUUQOCRSA-N 479.459 6.322 50 10 JKGE COc1ccc([C@@H](Br)c2cccc(Cl)c2Br)cc1Br 2267979612 KODHGAIZZPHEOV-CYBMUJFWSA-N 469.398 6.358 50 10 JKGE Clc1cc(CN2C[C@H](Br)C[C@H]3CCCC[C@H]32)ccc1I 2279521122 DKWNLHXRYGRAMM-XJKCOSOUSA-N 468.604 5.473 50 10 JKGE COc1cc(C)c(Br)c(C)c1[C@@H](Cl)c1scc(Br)c1Cl 2285076931 INIUCFMCMMJPLR-CYBMUJFWSA-N 459.030 6.880 50 10 JKGE FC(F)[C@H]1CCC[C@@H]1COc1c(Br)cc(CBr)cc1Br 2285557709 HFJZZWJFSBVLPM-ZJUUUORDSA-N 476.981 6.167 50 10 JKGE FC1CC2(C1)CC([C@@H](Br)c1c(Br)cc(Cl)c(Cl)c1Cl)C2 2287698751 VFXPWURJAQENPR-VHDPVDNTSA-N 465.415 7.374 50 10 JKGE Clc1ccc(I)c(CN2CCC3(CC[C@@H](Br)C3)CC2)c1 2287996216 PQJPMLIWENQSQN-CYBMUJFWSA-N 468.604 5.474 50 10 JKGE Fc1cc(Br)c(F)c(Br)c1[C@H](Br)C1CCCCCCC1 2288374839 XRBZHLWKYSFLIP-CYBMUJFWSA-N 475.009 7.286 50 10 JKGE N#CC(=Cc1ccc(N2N=C(c3ccccc3)C[C@@H]2c2ccccc2)cc1)S(=O)(=O)c1ccccc1 2293190878 JVAWBGIHMYVMIW-SSEXGKCCSA-N 489.600 6.381 50 10 JKGE COc1ccc(-c2nn(Cc3ccccc3)cc2C=C(C#N)C(=O)Nc2ccccc2F)cc1 2295347868 ILWVFONJXZYRFB-UHFFFAOYSA-N 452.489 5.292 50 10 JKGE COc1ccc(NC=C(C#N)c2nc(-c3ccc(Br)cc3)cs2)c([N+](=O)[O-])c1 2295945716 XSFYADNRHCLVQP-UHFFFAOYSA-N 457.309 5.466 50 10 JKGE CCCOc1cccc(-c2nn(-c3ccccc3)cc2C=C(C#N)c2nc3ccccc3n2C)c1 2296546308 ULPOMRUDWWJROR-UHFFFAOYSA-N 459.553 6.279 50 10 JKGE CC(C=NNC(=O)CSc1nnc(-c2ccc(C(C)(C)C)cc2)n1-c1ccccc1)=Cc1ccco1 2297304491 JCSNZORYWFHEKJ-UHFFFAOYSA-N 499.640 6.122 50 10 JKGE N#CC1=C(N)OC2=C(CCCC2=Cc2ccccc2Br)[C@@H]1c1ccccc1Br 2297504918 SYQZYJOPPGHJHC-NRFANRHFSA-N 498.218 6.541 50 10 JKGE Brc1ccc(OCc2ccccc2)c([C@@H](Br)[C@@H]2C[C@@H]3CC[C@H]2O3)c1 2299530023 HZWDGXBFVMWZMB-JQERWDHBSA-N 452.186 6.032 50 10 JKGE CC[C@](C)(C(F)F)[C@@H](Br)c1ccc(OCc2ccccc2)cc1Br 2299828050 GTUDHYGUMIJUML-HKUYNNGSSA-N 462.172 7.146 50 10 JKGE C[C@H]1CCC[C@@]1(CBr)Cc1ccc(I)c(Br)c1 2306232079 PYMQZYULXADTFM-HZMBPMFUSA-N 472.002 5.798 50 10 JKGE COc1cc(C=C(C#N)C(=O)N(C)C)cc(Br)c1OCc1ccc2ccccc2c1 2313568218 PSWUKNIXMPFFLZ-UHFFFAOYSA-N 465.347 5.185 50 10 JKGE N#CC(=Cc1cn(Cc2ccc(F)cc2)c2ccc(Br)cc12)C(=O)NCc1cccs1 2313623782 DOFNJNDLUBCALD-UHFFFAOYSA-N 494.389 5.876 50 10 JKGE CS(=O)(=O)[C@H]1C[C@H]([C@H](Br)c2ccc(OCc3ccccc3)cc2Br)C1 2314449399 PULKUJONYHARGN-QOKNQOGYSA-N 488.241 5.287 50 10 JKGE COc1ccc(-c2nn(-c3ccccc3)cc2C=C(C#N)C(=O)Nc2cc(Cl)cc(Cl)c2)cc1 2314488355 NQYHRGLKJLKTKY-UHFFFAOYSA-N 489.362 6.400 50 10 JKGE Fc1ccc(Br)cc1[C@@H](Cl)c1ccc(OCc2ccccc2)cc1Br 2314497989 PQJPJCXBOJXVKJ-FQEVSTJZSA-N 484.590 7.258 50 10 JKGE C[C@H](C[C@@H](Br)c1c(Cl)cc(Br)c(F)c1Br)C(F)F 2315461209 RBUVRWXFJXVGAP-RFZPGFLSSA-N 473.352 6.731 50 10 JKGE Clc1cc(I)c([C@H](Br)[C@@H]2OC[C@H]3CCCC[C@H]32)s1 2316597869 XAYDFHCBNXHJSR-GAJNKVMBSA-N 461.590 5.647 50 10 JKGE N#CC(=CNc1cc(C(F)(F)F)cc(C(F)(F)F)c1)C(=O)N1CCC(Cc2ccccc2)CC1 2318467745 GMVCBRCHGJBWHR-UHFFFAOYSA-N 481.440 6.025 50 10 JKGE CCOc1cc(C(=O)Oc2cccc(C=C(C#N)c3ccc(Cl)cc3)c2)cc(OCC)c1OCC 2320510962 GYVPONPVMZRHJE-UHFFFAOYSA-N 491.971 6.819 50 10 JKGE CCc1ccc(-c2ccc(C(=O)NNC(=O)C=Cc3cccc(OCc4ccccc4)c3)c(C)n2)cc1 2321139502 CAAQEQVOSHFSAC-UHFFFAOYSA-N 491.591 5.673 50 10 JKGE CCOc1cc(C=NNC(=O)Nc2ccccc2)ccc1OCc1ccc(Cl)cc1Cl 2323063444 GEGZNYBLYFLVLP-UHFFFAOYSA-N 458.345 6.127 50 10 JKGE N#CC(=Cc1ccc(N2N=C(c3ccccc3)C[C@@H]2c2ccccc2)cc1)c1ccccc1[N+](=O)[O-] 2331066014 DUVNGEXYVLSMJI-SSEXGKCCSA-N 470.532 7.015 50 10 JKGE COc1cccc(-c2csc(C(C#N)=C(O)[C@H](CCSC)N3C(=O)c4ccccc4C3=O)n2)c1 2331249096 NQBAGTFRMMFGEG-NRFANRHFSA-N 491.594 5.029 50 10 JKGE COc1ccc(Cl)cc1N1C[C@@H](C(O)=C(C#N)c2nc(-c3ccccc3Cl)cs2)CC1=O 2331266983 SMAMIYLSAIITMY-ZDUSSCGKSA-N 486.380 5.971 50 10 JKGE COc1ccc(Cl)cc1N1C[C@H](C(O)=C(C#N)c2nc(-c3ccc(C)cc3)cs2)CC1=O 2331312273 BAISHELTNDKWEX-MRXNPFEDSA-N 465.962 5.626 50 10 JKGE C[C@@H](c1ccccc1)N1C[C@@H](C(O)=C(C#N)c2nc(-c3ccc(C(C)(C)C)cc3)cs2)CC1=O 2331331998 SUEIXLZCFBRCKC-RXVVDRJESA-N 471.626 6.510 50 10 JKGE CCCCCCCOc1ccc(-c2csc(C(C#N)=C(O)C(C#N)=Cc3ccccc3)n2)cc1 2331345533 RPXJMMMGUQCJNF-UHFFFAOYSA-N 469.610 7.559 50 10 JKGE N#CC(=C(O)c1cc([N+](=O)[O-])ccc1Cl)c1nc(-c2ccc(Oc3ccccc3)cc2)cs1 2331360175 LNQGHNIMWNKNBL-UHFFFAOYSA-N 475.913 7.114 50 10 JKGE COc1cc(C(O)=C(C#N)c2nc(-c3cc(Cl)cc(Cl)c3OC)cs2)cc(OC)c1OC 2331362548 XYARHEAURNCOBB-UHFFFAOYSA-N 493.368 6.101 50 10 JKGE COc1ccc(-c2csc(C(C#N)=C(O)COc3cc(Cl)ccc3Cl)n2)c(OC)c1 2331385581 QLWSQDGCRWDRPU-UHFFFAOYSA-N 463.342 6.006 50 10 JKGE CCOc1c(Br)cc(C=C(C#N)c2nc(-c3cc(C)cc(C)c3OC)cs2)cc1OC 2331469856 CXTMDGURVJRLKF-UHFFFAOYSA-N 499.430 6.670 50 10 JKGE COC(=O)c1c(NC(=O)CCCOc2cc(C)c(Cl)c(C)c2)sc(C(C)=CC#N)c1C 2331558840 ILPJLWLBBMCLOG-UHFFFAOYSA-N 460.983 5.838 50 10 JKGE COc1cccc(C[C@@H](Br)c2ccc(OCc3ccccc3)cc2Br)c1 2336038680 PVRQAWYXYSXGSV-OAQYLSRUSA-N 476.208 6.715 50 10 JKGE Brc1cc(OCc2ccccc2)ccc1[C@@H](Br)c1ccc(C2CC2)cc1 2336041800 QTTHPDHYZUBHHW-QHCPKHFHSA-N 472.220 7.390 50 10 JKGE Brc1cc(OCc2ccccc2)ccc1[C@H](Br)c1cccc(C2CC2)c1 2336058091 XUPNMHKSOQQAFH-HSZRJFAPSA-N 472.220 7.390 50 10 JKGE Brc1cc(OCc2ccccc2)ccc1[C@@H](Br)[C@@H]1COc2ccccc21 2336084539 VCGSAYNOXJLWAF-DENIHFKCSA-N 474.192 6.640 50 10 JKGE Cc1cc(Br)c(F)c(Br)c1[C@@H](Br)C(C)(C)C(C)(C)C 2339676942 YVDWBPZYWLFUSP-CYBMUJFWSA-N 459.035 7.167 50 10 JKGE Clc1ccc(C[C@]2(CBr)CCCCC23CC3)c(I)c1 2341049507 LRROARCKNFRRNZ-INIZCTEOSA-N 453.589 6.223 50 10 JKGE Cc1cccc(OCc2ccc(I)c(Br)c2)c1CCl 2349809868 VCTWXOGBDSGHEQ-UHFFFAOYSA-N 451.529 5.680 50 10 JKGE C[C@]12CN(Cc3ccccc3)C[C@]1(C)CN(c1cc(Cl)c(F)cc1CBr)C2 2362384960 FJCAVKDQKMZRLH-FGZHOGPDSA-N 451.811 5.722 50 10 JKGE Cc1c(Br)ccc([C@H](Br)[C@@H]2COC3(CCC3)CO2)c1Br 2364134971 NYIJTFGLBOSXPT-JSGCOSHPSA-N 469.011 5.294 50 10 JKGE COc1c(Br)cc(C)c([C@H](Br)[C@H]2CCC[C@@H](F)C2)c1Br 2365191041 KSARFLNTBCILOK-OPQQBVKSSA-N 473.018 6.493 50 10 JKGE Cc1cc(Br)c(F)c(Br)c1[C@@H](Br)C12COC(CF)(C1)C2 2365193374 HKZUUQLROZUDEQ-IYXRBSQSSA-N 474.965 5.614 50 10 JKGE Cc1cccc(N(C)Cc2c(Br)cccc2Br)c1CBr 2366159958 FFQAZOIWQYITQF-UHFFFAOYSA-N 462.023 6.051 50 10 JKGE CCOc1ccc([C@@H](Br)c2c(Br)cccc2Br)c(F)c1 2367464224 JGRVDLUJILQRCD-OAHLLOKOSA-N 466.970 6.234 50 10 JKGE CC1(C)CCC(C)(C)[C@H](Cc2ccc(I)c(Br)c2)[C@@H]1Cl 2377293828 ILWMIXYUXOHCIW-DOMZBBRYSA-N 469.632 6.666 50 10 JKGE FC(F)(F)CC1CCC([C@H](Br)c2cc(Br)c(Cl)s2)CC1 2381922556 CWRLGEOYWYXWMY-AYVLWNQUSA-N 454.577 7.359 50 10 JKGE Cc1cc(C)c([C@H]2C(C#N)=C(N)OC3=C2C(=O)CCC3)cc1CSc1ccc(Br)cc1 2727594 YKKDYFXNVUWXAB-QHCPKHFHSA-N 495.442 6.173 50 10 JKGE CCCOc1ccc(/C=C(/C#N)C(=O)Nc2sc(C)c(-c3ccccc3)c2C(=O)OC)cc1 35123603 NYFDPZKBAMQYQH-HKWRFOASSA-N 460.555 5.845 50 10 JKGE CCCCCCOc1ccc(/C=C2/C(=O)N(CCCOC(C)C)C(=O)C(C#N)=C2C)cc1OC 38606679 RVZIQWIWIHRGFD-CJLVFECKSA-N 468.594 5.062 50 10 JKGE CCCCCCOc1ccc(/C=C2/C(=O)N(CCc3ccccc3)C(=O)C(C#N)=C2C)cc1OC 38607539 WPKAEQQJUTYSMP-HKOYGPOVSA-N 472.585 5.489 50 10 JKGE CC(C)(C)c1ccc(C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@H]3c2ccc(Cl)c(Cl)c2)cc1 38655671 HAXZPCNOHPBTIO-DEOSSOPVSA-N 493.390 6.728 50 10 JKGE CCc1ccc(OCC(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@H]3c2cccc3ccccc23)cc1 38657910 WBGRMMRYAKXITE-LJAQVGFWSA-N 476.532 5.605 50 10 JKGE CCc1ccc(N2C(=O)[C@H](Cc3ccccc3C)S/C2=C(/C#N)C(=O)Nc2ccccc2OC)cc1 101246401 GAIAQFGUXQSXNI-TUJXDINHSA-N 497.620 5.631 50 10 JKGE CC1=C(C#N)C(=O)N(C[C@H]2CCCO2)C(=O)/C1=C/c1ccc(-c2ccc(Cl)c(Cl)c2)o1 101337199 DZOZLSYBTVDPBG-FCNRDGCESA-N 457.313 5.025 50 10 JKGE CCOc1cc(/C=C(/C#N)C(=O)Nc2nc3ccccc3s2)ccc1OCc1ccccc1C 102443894 WFHRXQLZMZEPRK-STZFKDTASA-N 469.566 6.128 50 10 JKGE COc1cc(/C=C(/C#N)C(=O)Nc2nc3ccccc3s2)ccc1OCc1ccc(Cl)cc1 102443964 GEKXUBAAUATSSQ-PDGQHHTCSA-N 475.957 6.083 50 10 JKGE Brc1ccc(C[C@H](Br)c2cc3c(cc2Br)OCCO3)cc1 109865894 IDULFPNNLNVILQ-ZDUSSCGKSA-N 476.990 5.662 50 10 JKGE COc1cc(C)c(Br)cc1[C@H](Br)c1ccc(F)cc1Br 115866783 QOJLZKSGUJFNPA-OAHLLOKOSA-N 466.970 6.152 50 10 JKGE BrC[C@@H](CCOc1cccc(Br)c1)c1ccccc1Br 118867656 HRYLDSPDDWBZKN-GFCCVEGCSA-N 463.007 6.159 50 10 JKGE Clc1cc([C@H](Br)c2cccc(I)c2)sc1Br 127524291 ROBMVSJSSDYWMK-SNVBAGLBSA-N 492.401 6.253 50 10 JKGE Cl[C@@H](c1ccc(I)cc1)c1csc2c(Br)cccc12 163375232 CIBSDFCDWRFORM-AWEZNQCLSA-N 463.565 6.597 50 10 JKGE CCOc1cc(/C=N\NC(=O)c2ccccc2N)ccc1OCc1c(Cl)cccc1Cl 169893764 MMPABEVPNXWWKU-WKIKZPBSSA-N 458.345 5.317 50 10 JKGE CCCCOc1ccc2nc(NC(=O)/C(C#N)=C\c3ccc(OCC)c(OC)c3)sc2c1 207131835 SNRLKVGLXBMUBJ-ATVHPVEESA-N 451.548 5.428 50 10 JKGE COc1ccc([C@H](Cl)c2ccc(I)cc2)c(OC)c1Br 224844392 IDDRIASOOVKAKF-CQSZACIVSA-N 467.528 5.399 50 10 JKGE COc1ccc(F)cc1[C@H](Br)c1cc(I)ccc1Br 234851963 WZYSJTZDZIUNOX-CQSZACIVSA-N 499.943 5.686 50 10 JKGE Fc1ccc([C@@H](Br)c2ccc(Cl)cc2Cl)c(I)c1 236180107 KQDQYSNERGHLRJ-ZDUSSCGKSA-N 459.911 6.221 50 10 JKGE CCn1c2ccccc2c2cc(NC(=O)CC(C)=NNC(=O)c3ccc(Cl)c(Cl)c3)ccc21 252463040 YISXBAOTHVLSDX-UHFFFAOYSA-N 481.383 6.256 50 10 JKGE C[C@@H]1C[C@@H](O[C@](C)(CI)c2ccccc2Br)CC(C)(C)C1 253112586 DRJARXQBDMDOOM-HBUWYVDXSA-N 465.213 6.331 50 10 JKGE COc1ccc2cc(C(C)=NNC(=O)c3cc(-c4ccc(F)cc4)nc4ccccc34)ccc2c1 254440001 INPZRQZGAIESOP-UHFFFAOYSA-N 463.512 6.357 50 10 JKGE CCOc1cc(C=NNC(=O)CNc2cccc3ccccc23)ccc1OC(=O)c1ccccc1 254705742 PLIBSCCXONDVHH-UHFFFAOYSA-N 467.525 5.020 50 10 JKGE CCOC(=O)/C(C#N)=C/C=C(\C=C\N(C)CC(=O)c1ccc(-c2ccccc2)cc1)c1ccccc1 254823805 ZCSYLYHOHHREAE-YNCRMEAUSA-N 476.576 6.078 50 10 JKGE Brc1ccc([C@@H]2CCC[C@@H](CI)O2)cc1Br 309465675 SQUVSWXNGHWTET-CABZTGNLSA-N 459.947 5.257 50 10 JKGE O=C(OCc1ccccc1)N1C[C@H](CBr)[C@H](c2cc(Cl)ccc2Br)C1 382700133 CFIHOTBSQUTBBT-WMLDXEAASA-N 487.619 5.850 50 10 JKGE Fc1cccc(Cl)c1[C@@H](Br)c1cc(I)cc2c1OCC2 383215956 LPERNRPMBCKNAM-AWEZNQCLSA-N 467.503 5.503 50 10 JKGE COc1c(Br)cc(Cl)cc1[C@@H](Cl)c1ccccc1OCc1ccccc1 388374363 KZMZFFSKMSDZJP-FQEVSTJZSA-N 452.175 7.018 50 10 JKGE Fc1cc(Br)c([C@@H](Br)c2cccc(Br)c2F)c(F)c1F 398713780 FRULQBNISUGZAL-JTQLQIEISA-N 476.887 6.252 50 10 JKGE CC(C)(C)[Si](C)(C)OCc1ccccc1[C@H]1CN(S(=O)(=O)c2ccccc2)c2ccccc2N1 616586036 UIBKVTUDEAWRLX-RUZDIDTESA-N 494.733 6.571 50 10 JKGE Cn1ncc(Br)c1[C@H](Br)c1cc(Br)c(Br)s1 693046213 GSAFDNVGPFMLHJ-SSDOTTSWSA-N 493.844 5.253 50 10 JKGE Fc1cc2c(cc1I)nc(CCl)n2CC1(CCOCc2ccccc2)CC1 702200946 QJGHAKSBPHDDDP-UHFFFAOYSA-N 498.767 5.906 50 10 JKGE CCO[C@@H]1CCC[C@@H](O[C@@H](CI)c2cccc(Br)c2)C1 721645117 ZWNJJVGSTSJMGT-OAGGEKHMSA-N 453.158 5.290 50 10 JKGE O=C(NN=Cc1ccc(OCc2ccc(Cl)cc2Cl)cc1)c1ccccc1Br 725409514 ODLMNNXUSXOZGX-UHFFFAOYSA-N 478.173 6.099 50 10 JKGE C=CCc1cc(C=NNC(=O)CC[C@@H](O)c2ccc(OCC)cc2)ccc1OCc1ccccc1C#N 1083998306 AVYDPASDUKOROT-MUUNZHRXSA-N 497.595 5.228 50 10 JKGE COc1ccc(C=NNC(=O)CCCSc2nnc(CCc3ccccc3)n2-c2ccccc2)cc1 1084296795 GZBWDRJMCZOFQW-UHFFFAOYSA-N 499.640 5.084 50 10 JKGE Cc1ccc(-c2ccccc2)n1-c1ccc(C(=O)NN=Cc2cc(C)n(-c3ccc(O)cc3)c2C)cc1 1084340368 IEFGHEKRPFXHQR-UHFFFAOYSA-N 488.591 6.330 50 10 JKGE O=C(N/N=C(/c1ccc(Cl)cc1)c1ccc(Oc2ccccc2)cc1)Nc1ccc(Cl)cc1 1616046884 VGTHYUAZQUTJAV-JVCXMKTPSA-N 476.363 7.360 50 10 JKGE Cc1cc(C)cc(OC(=O)c2oc3c(c2C)C(=NNC(=O)c2ccccc2Br)CCC3)c1 1772744350 VDVQLRWEGAPDOR-UHFFFAOYSA-N 495.373 5.657 50 10 JKGE CCCCCOc1ccc(C=NNC(=O)CSc2nc(-c3ccccc3)cs2)cc1OC 1772755131 OWKLFBFJCFNDIN-UHFFFAOYSA-N 469.632 5.630 50 10 JKGE N#CSc1ccc(NC(=O)CCCCCCCCCCN2C(=O)c3ccccc3C2=O)cc1 1859467440 ZIOWKEZNSVSWQI-UHFFFAOYSA-N 463.603 6.005 50 10 JKGE COc1ccc(-n2nc(-c3ccccc3)c3c2OC(N)=C(C#N)[C@H]3c2ccc(Cl)c(Cl)c2)cc1 1865684988 CKVFWTNKXBFOSG-JOCHJYFZSA-N 489.362 6.073 50 10 JKGE CCOc1ccc([C@H]2C(C#N)=C(N)Oc3c2c(-c2ccccc2)nn3Cc2ccccc2F)cc1OC 1865695017 HWYVPTMDPMRUKM-VWLOTQADSA-N 496.542 5.363 50 10 JKGE CCN(CC)c1ccc([C@@H]2C(C#N)=C(N)Oc3c2c(-c2ccccc2)nn3Cc2cccc(F)c2)cc1 1865702208 PINFUDAUPWIJER-AREMUKBSSA-N 493.586 5.802 50 10 JKGE COc1cc([C@H]2C(C#N)=C(N)Oc3c2c(-c2ccccc2)nn3-c2ccc(Cl)cc2)ccc1O 1865706231 QRZXWQPOJMOQEF-QFIPXVFZSA-N 470.916 5.125 50 10 JKGE CCCc1nn(Cc2ccc(Cl)c(Cl)c2)c2c1[C@H](c1ccccc1[N+](=O)[O-])C(C#N)=C(N)O2 1865710469 YTGDTFZTTYIEGX-HXUWFJFHSA-N 484.343 5.317 50 10 JKGE CCCc1nn(-c2ccc(OC)cc2)c2c1[C@@H](c1ccc(C(F)(F)F)cc1)C(C#N)=C(N)O2 1865711024 OENYPWNNFOMJKZ-FQEVSTJZSA-N 454.452 5.070 50 10 JKGE CC(C)(C)c1nc(Nc2ccc(SC#N)cc2)cc(N2CCO[C@H](c3ccc(Cl)cc3)C2)n1 1868342286 QCSCPCWRYCHWCS-NRFANRHFSA-N 480.037 6.322 50 10 JKGE C[C@H](c1ccccc1)N1C[C@H](/C(O)=C(\C#N)c2nc(-c3ccc4c(c3)CCCC4)cs2)CC1=O 1872745165 CKBQUROXNDDAGC-ZURNSRTFSA-N 469.610 6.091 50 10 JKGE Cc1ccc(C)c(-c2csc(/C(C#N)=C(O)/C(=C/c3ccc(OC(C)C)cc3)c3ccccc3)n2)c1 1872749673 BXNXAVNKDXBRCY-OSJPICRCSA-N 492.644 8.248 50 10 JKGE COc1c(Cl)cc(-c2csc(/C(C#N)=C(\O)COc3ccc(Cl)c(C)c3)n2)cc1Cl 1872756277 WGIQNRWLCLHEFL-RGEXLXHISA-N 481.788 6.959 50 10 JKGE CC(C)C[C@@H](/C(O)=C(\C#N)c1nc(-c2ccc3ccccc3c2)cs1)N1C(=O)c2ccccc2C1=O 1873940807 IRAGRTBRWJTHID-RITGCEONSA-N 493.588 6.467 50 10 JKGE Clc1cc(I)c([C@H](Br)[C@H]2C[C@@H](Br)C2)s1 1888108424 MJTPZSFKLPILRH-GLDDHUGJSA-N 470.395 5.616 50 10 JKGE C[C@H](CBr)N(Cc1ccccc1)S(=O)(=O)c1cc(Cl)c(Br)s1 1914353948 VOMOORYWAWOPJE-SNVBAGLBSA-N 487.666 5.138 50 10 JKGE C[C@@H](Cl)CN(Cc1ccccc1)c1ncc(C(F)(F)F)cc1I 1914625826 LLJWPQMOKVWLND-LLVKDONJSA-N 454.661 5.339 50 10 JKGE CC[C@H](Cl)CN(Cc1ccccc1)S(=O)(=O)c1cc(Cl)c(Br)s1 1915101257 QVGAIZJEOBMNQX-LBPRGKRZSA-N 457.242 5.372 50 10 JKGE Cc1cc([C@H](Br)c2sc(Br)cc2Br)cc(C)c1F 1922884318 FIVZJTVKZRGJCF-NSHDSACASA-N 457.000 6.513 50 10 JKGE Cc1c(Br)sc([C@@H](Br)C2(C(F)(F)F)CCC2)c1Br 1922921155 OEPZLMVMFDTHST-MRVPVSSYSA-N 470.974 6.750 50 10 JKGE Clc1c(Br)sc(Br)c1[C@H](Br)c1ccc2c(c1)CCC2 1923068472 RYUDBXUPRZJIHD-LLVKDONJSA-N 485.466 6.900 50 10 JKGE Cl[C@H](c1c(Br)sc(Br)c1Br)[C@@H]1C[C@H]2CC[C@@H]1O2 1924615269 YMAVQCGEGDNFNE-SPPFEBNGSA-N 465.432 5.883 50 10 JKGE Clc1sc([C@H](Br)c2cc(Br)cs2)cc1Br 1961677468 ITIUQAPLORBWGG-MRVPVSSYSA-N 451.430 6.472 50 10 JKGE COCc1cc(Br)c([C@@H](Cl)c2cc(I)sn2)s1 2007647806 OCUGHEVSXNAZRN-VIFPVBQESA-N 464.575 5.046 50 10 JKGE CC(F)(F)CCC[C@H](Br)c1c(Br)sc(Br)c1Cl 2023310194 DVLWKSGEHAYJHQ-YFKPBYRVSA-N 475.418 7.188 50 10 JKGE Cc1c(Br)ccc([C@@H](Cl)c2cscc2Br)c1Br 2024293636 IECCTXKJYNAOJD-GFCCVEGCSA-N 459.428 6.672 50 10 JKGE CN(C(=O)c1csc(Br)c1Br)[C@@H](CBr)C(C)(C)C 2032955835 FYCRXHWFLRKYSQ-QMMMGPOBSA-N 462.045 5.155 50 10 JKGE Fc1cc(Cl)c(Br)cc1[C@@H](Br)c1ccc(OCc2ccccc2)cc1 2036576201 IRJHHARYKUJNQF-FQEVSTJZSA-N 484.590 7.305 50 10 JKGE Brc1cc(Br)c([C@@H](Br)c2ccccc2C2CC2)s1 2042275023 JGEQQRASCOSJKE-ZDUSSCGKSA-N 451.021 6.635 50 10 JKGE Cc1c(F)ccc([C@@H](Br)c2cc(Br)c(Br)s2)c1C 2083353552 ZXTSYPCDAGZHQZ-GFCCVEGCSA-N 457.000 6.513 50 10 JKGE Brc1cccc([C@@H](Br)c2ncn3ccsc23)c1Br 2083989140 DIYPFUXJUWSTAW-SNVBAGLBSA-N 450.981 5.405 50 10 JKGE CC(C)(C)OC(=O)N1CCC(CBr)(OCc2ccc(F)cc2Br)CC1 2085376893 WOZMFHCCYFPSHU-UHFFFAOYSA-N 481.200 5.269 50 10 JKGE Clc1ccc(OCc2ccc(Br)cc2Br)c(CBr)c1 2092268340 WUGRSMUMQMWYGP-UHFFFAOYSA-N 469.398 6.339 50 10 JKGE CCc1nn(-c2ccc(CBr)cc2Br)c(CC)c1Br 2093294258 JUFBTSWEPKKPAE-UHFFFAOYSA-N 451.000 5.417 50 10 JKGE Brc1ccc(CN2C[C@H](Br)C3(CCCC3)C2)c(Br)c1 2117737135 KTOCXMSYKWOIIM-AWEZNQCLSA-N 452.028 5.351 50 10 JKGE C[C@H]1CCCN(Cc2cc(Br)ccc2Br)[C@@H]1CCBr 2118520320 SSSYVXIRGADUCN-XHDPSFHLSA-N 454.044 5.597 50 10 JKGE Cc1nn(C)c2sc([C@H](Br)c3cc(Br)c(Br)s3)cc12 2118609996 CTFXKUGMWSVEBA-JTQLQIEISA-N 485.064 6.014 50 10 JKGE O=S(=O)(c1cc(F)c(Cl)c(CBr)c1)N(Cc1ccccc1)CC(F)(F)F 2123267634 IBPZDVWHABYSLK-UHFFFAOYSA-N 474.701 5.127 50 10 JKGE COc1cc(F)c([C@@H](Cl)c2csc(Br)c2Br)cc1Br 2138148211 KQHQUUQNAKLHTD-LLVKDONJSA-N 493.417 6.512 50 10 JKGE Cc1c(Br)ccc([C@@H](Br)[C@@]23CC[C@@](C)(C2)OC3)c1Br 2138855127 VWXRALSHUGGTFZ-ILXRZTDVSA-N 453.012 5.915 50 10 JKGE C[C@H](Br)C[C@H]1CCCCN1Cc1ccc(I)c(Cl)c1 2142942910 HSQFIBOBHGSFKM-WCQYABFASA-N 456.593 5.473 50 10 JKGE COc1cc(Br)c(C)cc1[C@H](Cl)c1ccc(I)c(Cl)c1 2145956531 KYFWXCHBOAFETO-OAHLLOKOSA-N 485.974 6.352 50 10 JKGE CCOc1ccc([C@@H](Cl)c2cccc(Br)c2Br)cc1Br 2148749788 JRWHBYIMRKYRNF-OAHLLOKOSA-N 483.425 6.701 50 10 JKGE O=C(NC[C@H](Br)c1ccccc1)c1cccc(Br)c1Br 2148769002 IEPULWHHMRZFDC-ZDUSSCGKSA-N 461.979 5.078 50 10 JKGE Clc1nsc(CC(CBr)(CBr)C2CCCCCC2)c1Cl 2167232126 SCRQWQVAFGJUOC-UHFFFAOYSA-N 464.094 6.739 50 10 JKGE CC(C)(C)OC(=O)NCCSSCCN[C@@H]1CCCOc2cc(Br)ccc21 2181748624 WLPPUMOVMJLCLZ-MRXNPFEDSA-N 477.490 5.159 50 10 JKGE BrCc1cc(Br)cc(Br)c1OC[C@@H]1C[C@@H]2CCC[C@@H]2C1 2183361556 YZHDXNSHMJFTSU-ZSBIGDGJSA-N 467.039 6.312 50 10 JKGE O=C(N[C@H](CBr)[C@@H]1CC=CCC1)c1cc(Br)ccc1Br 2196158426 YNSGHFLNETVMDI-QMTHXVAHSA-N 466.011 5.061 50 10 JKGE CC[C@@H](c1ccccc1)[C@H](Br)c1ccc(Br)c(C)c1Br 2203684119 GEFYBBXFKPMXRV-GUYCJALGSA-N 461.035 7.150 50 10 JKGE CC12CC([C@H](Br)c3ccc(Br)cc3Br)(C1)C1(CCC1)O2 2203694746 USXCJKATEZRKFW-WLYUNCDWSA-N 465.023 6.139 50 10 JKGE COc1c(C)cc(Br)cc1[C@H](Cl)Cc1ccccc1I 2206603900 JIBOHHYYBNSCCI-CQSZACIVSA-N 465.556 5.893 50 10 JKGE BrCCCN(Cc1ccccc1)Cc1c(Br)sc2ccccc12 2210217318 SZVKWONBXXXIRK-UHFFFAOYSA-N 453.243 6.451 50 10 JKGE Brc1cc([C@@H](Br)C2C[C@H]3CCC[C@H](C2)C3)sc1Br 2218349928 OKAQSPDAOTZCGC-RVBZMBCESA-N 457.069 6.926 50 10 JKGE BrC[C@@H](Cc1cccc(Br)c1)Cc1nscc1Br 2219921596 SEBIAFLIZPXDTE-JTQLQIEISA-N 454.025 5.464 50 10 JKGE Fc1cc(Br)c(Br)cc1[C@@H](Br)CC1CC2(CCC2)C1 2225615278 FPXHZXXTHCHRPS-NSHDSACASA-N 455.003 6.757 50 10 JKGE Cc1sc(Br)c([C@@H](Cl)c2cc(Br)c(Br)cc2F)c1C 2225615651 KAYKALAKNGXOLJ-LBPRGKRZSA-N 491.445 7.120 50 10 JKGE CC[C@]12CO[C@]([C@@H](Br)c3cc(Br)c(Br)cc3F)(C1)C2 2225617018 LHXZVGQTHCWFLO-MELADBBJSA-N 456.975 5.746 50 10 JKGE COc1c(C)cc(Br)cc1[C@@H](Br)c1cc(Br)c(C)s1 2226090352 WSXNEEMNDYQIJN-CYBMUJFWSA-N 469.036 6.383 50 10 JKGE Cc1cc(Br)c([C@@H](Br)CCC2CCCC2)c(C)c1Br 2227348028 LRDCJKVVHJWSGY-ZDUSSCGKSA-N 453.056 7.235 50 10 JKGE Clc1cc(Br)ccc1C[C@@H](Cl)c1ccc(Br)cc1Br 2229147309 ITMYFYRIQUGHMQ-CQSZACIVSA-N 487.844 7.150 50 10 JKGE Cc1ccc(F)cc1[C@@H](Br)c1c(Br)cc(Cl)c(Cl)c1Cl 2232513440 RACALHSAUOLQIH-GFCCVEGCSA-N 461.383 7.341 50 10 JKGE CCOCc1cc(Br)c([C@H](Cl)Cc2ccccc2I)s1 2233016994 WWGFYRWOBUYUQE-CYBMUJFWSA-N 485.612 6.174 50 10 JKGE O=C(Nc1ccccc1CCBr)c1ccc(Br)cc1Br 2238841274 HEIABLFMYRCGAP-UHFFFAOYSA-N 461.979 5.401 50 10 JKGE Clc1ccc(COc2c(CBr)ccc(Br)c2Cl)c(Cl)c1 2239718660 OAZWMQYEHIVJQR-UHFFFAOYSA-N 459.392 6.883 50 10 JKGE COc1ccc([C@@H](Br)c2ccoc2Br)cc1I 2248886765 GUEQXAXNWQRTTP-LLVKDONJSA-N 471.914 5.140 50 10 JKGE CC(C)c1cc(Br)cc([C@H](Cl)c2cc(Br)sc2Br)c1 2265952395 CHZKFMHRNLLICN-ZDUSSCGKSA-N 487.482 7.487 50 10 JKGE Cc1cc(Br)c([C@@H](Br)C23COCC(C2)C3)c(C)c1Br 2273068955 DYIHTYHDZAHYGB-CIQACWJJSA-N 453.012 5.691 50 10 JKGE Brc1cc(Br)cc(C[C@H](Br)[C@@H]2C[C@]23CCCOC3)c1 2277954309 DFFYKTNLSDJVBO-KKUMJFAQSA-N 453.012 5.334 50 10 JKGE COc1ccc([C@H](Br)c2csc(I)c2)c(OC)c1C 2277987484 VIQKUAIPLMVVPW-CYBMUJFWSA-N 453.139 5.163 50 10 JKGE Fc1cc(Br)cc([C@@H](Br)c2cc3sc(Br)cc3s2)c1 2278100955 LWDSNCFHZKFHRA-CYBMUJFWSA-N 485.035 7.111 50 10 JKGE Cc1ccc([C@@H](Br)c2c(Br)cc(C)c(F)c2C)c(Br)c1 2279160970 ZEMDCSRKQWBHHX-OAHLLOKOSA-N 464.998 6.760 50 10 JKGE COc1ccc([C@H](Br)c2ccsc2C(F)(F)F)cc1I 2284996698 BUEZROHSLZGFQF-NSHDSACASA-N 477.083 5.864 50 10 JKGE Cc1cc(F)c(Br)cc1[C@H](Br)c1cc(C2CC2)c(Br)s1 2285984842 YBZKRWHFETUIPF-AWEZNQCLSA-N 483.038 7.082 50 10 JKGE CCCC[C@@H](C)CC[C@@H](Br)c1c(F)cc(Br)c(F)c1Br 2288345829 UPRYVELJWMFLET-NXEZZACHSA-N 477.025 7.532 50 10 JKGE Fc1cc(Br)c(F)c(Br)c1[C@@H](Br)Cc1cccc(Cl)c1 2288376333 LYXMILKEPVIVLM-VIFPVBQESA-N 489.379 6.822 50 10 JKGE N#CC(=Cc1ccc(OCc2ccccc2)c(Br)c1)C(=O)Nc1ccc(F)cc1 2294168454 LTEZESWWXBFRMS-UHFFFAOYSA-N 451.295 5.713 50 10 JKGE Cc1ccc(C)c(NC(=O)C(C#N)=Cc2ccc(OCc3ccccc3Cl)c(Cl)c2)c1 2297491200 XPMHCRBZYCSJCQ-UHFFFAOYSA-N 451.353 6.735 50 10 JKGE Brc1cc(OCc2ccccc2)ccc1[C@H](Br)[C@@H]1C[C@@H]2CCC[C@@H]21 2299511364 VIJIZKRHLLQMLH-OQKHSGFDSA-N 450.214 6.900 50 10 JKGE Cc1ccc(C)c([C@H](Br)c2ccc(OCc3ccccc3)cc2Br)c1 2314450051 VOQGLNBIHDPALB-JOCHJYFZSA-N 460.209 7.129 50 10 JKGE CCOC(=O)c1c(NC(=O)C(C#N)=Cc2ccc(OC)c(OCC)c2)sc2c1CC[C@H](CC)C2 2314571664 JVLYNGRUWKLINP-INIZCTEOSA-N 482.602 5.393 50 10 JKGE CCCCOc1ccc(C=C2C(=O)N(Cc3ccc(F)cc3)C(=O)C(C#N)=C2C)cc1OCC 2314621147 ZQIAZSJQWNUNCT-UHFFFAOYSA-N 462.521 5.196 50 10 JKGE CC(=O)Nc1ccc(C(C)=NNC(=O)c2ccc(-c3ccc(Cl)cc3Cl)nc2C)cc1 2321275923 KPUPHLVHPGBUFV-UHFFFAOYSA-N 455.345 5.476 50 10 JKGE CCOc1cc(C=NNC(=O)c2cccc(N)c2)ccc1OCc1ccc(Cl)c(Cl)c1 2323211475 DKHNJPGWQJIAMN-UHFFFAOYSA-N 458.345 5.317 50 10 JKGE Cc1cc(C)c(NC=C(C#N)C(=O)N2CCN(C(c3ccccc3)c3ccccc3)CC2)c(Cl)c1 2324609614 CDSIIZALGLPSIO-UHFFFAOYSA-N 485.031 5.710 50 10 JKGE Clc1ccc(I)cc1CO[C@@H]1CCCCC[C@H]1I 2327240671 RIOXOIDGXHRPDH-ZIAGYGMSSA-N 490.550 5.598 50 10 JKGE CCOC(=O)c1sc(NC(=O)C(C#N)=Cc2ccc(Br)cc2)nc1-c1ccccc1 2329665511 QOGNCBDBLRCCKJ-UHFFFAOYSA-N 482.359 5.295 50 10 JKGE CCOc1cc(C=C(C#N)c2ccc(Cl)cc2F)ccc1OCc1c(Cl)cccc1Cl 2331063944 UXSLORIRDDIDLM-UHFFFAOYSA-N 476.762 7.828 50 10 JKGE Cc1nc2ccc(C(O)=C(C#N)c3nc(-c4cccc(Br)c4)cs3)cc2nc1C 2331278798 IHSKDDBVPUDFSF-UHFFFAOYSA-N 463.360 6.083 50 10 JKGE N#CC(=C(O)c1cc(C(F)(F)F)cc(C(F)(F)F)c1)c1nc(-c2ccc3c(c2)OCCO3)cs1 2331330891 LKEIWVWIYLFOAH-UHFFFAOYSA-N 498.404 6.569 50 10 JKGE COc1cc(-c2csc(C(C#N)=C(O)C=Cc3ccc(OC)c(OC)c3)n2)c(OC)cc1Cl 2331376865 DSWKXTBXIIHUQB-UHFFFAOYSA-N 484.961 6.004 50 10 JKGE COc1ccc(-c2csc(C(C#N)=C(O)COc3cc(C)c(Cl)c(C)c3)n2)c(OC)c1 2331385447 DYTJFTMONDAPKK-UHFFFAOYSA-N 456.951 5.969 50 10 JKGE COc1cc(OC)c(-c2csc(C(C#N)=Cc3ccc(OCc4ccccc4)cc3)n2)cc1Cl 2331471908 QUTGLSVPDWBBIL-UHFFFAOYSA-N 488.996 7.124 50 10 JKGE CCCOc1c(Br)cc(C=C(C#N)c2nc(-c3ccc(C)c(C)c3)cs2)cc1OC 2331472547 DEEMDAHNEFARIB-UHFFFAOYSA-N 483.431 7.051 50 10 JKGE CCc1nn(C)c([C@@H](Cl)c2cc(Br)ccc2OCc2ccccc2)c1Br 2336041416 NUWTWLBTLRNNPA-IBGZPJMESA-N 498.646 6.415 50 10 JKGE Cc1cnc(Oc2cc(Cl)c(C)cc2I)c(CBr)c1 2336561970 WJUXPUDXGFJSEW-UHFFFAOYSA-N 452.517 5.644 50 10 JKGE Fc1c(Br)cc(Cl)c([C@@H](Br)[C@H]2CC[C@@H]3C[C@@H]3C2)c1Br 2337105133 UQKWYWGIPDLMST-ZWADGADFSA-N 475.421 6.876 50 10 JKGE Cc1c(Br)sc([C@@H](Br)[C@@H]2C[C@H]2C2CCCCCC2)c1Br 2357682388 OOSGDSDNCNLZLZ-SCRDCRAPSA-N 485.123 7.624 50 10 JKGE Fc1cc(Cl)c(Br)c(Cl)c1[C@@H](Br)C1(C(F)(F)F)CCC1 2360409358 WPSBEMZMMZSDTK-SNVBAGLBSA-N 458.902 7.064 50 10 JKGE CC1(C)CC([C@@H](Br)c2ccc(OCc3ccccc3)cc2Br)CC(C)(C)C1 2361171706 LXOQOFRKVHNLRF-JOCHJYFZSA-N 494.311 8.317 50 10 JKGE COc1ccc([C@@H](Br)c2cc(Br)ccc2OCc2ccccc2)c(OC)c1 2361204622 IEAYGCXTZZVRNQ-JOCHJYFZSA-N 492.207 6.530 50 10 JKGE Fc1cc(Br)cc(OCc2cc(Br)cc(Br)c2)c1CCl 2362214711 VYRYBVRGWWUKHR-UHFFFAOYSA-N 487.388 6.431 50 10 JKGE Fc1c(Br)cc(Cl)c([C@@H](Br)C23CCC(CC2)CC3)c1Br 2362225908 WZAFTJMSMKVTEB-OOCCNLOMSA-N 489.448 7.411 50 10 JKGE Cc1cc(Br)c(F)c(Br)c1[C@H](Br)C(C)(C)[C@H]1CCCO1 2365189617 WNFJDWBIIUTTRE-YGRLFVJLSA-N 473.018 6.300 50 10 JKGE COc1cc(Cl)c(CBr)c(N2C[C@@H](C)CN(Cc3ccccc3)C[C@H]2C)c1 2365803870 BBBPXWCBHBPYAO-DLBZAZTESA-N 451.836 5.590 50 10 JKGE CC(C)[C@H](OC(=O)Nc1ccc(I)cc1)C(C)(C)CBr 2366083961 WEGFZEZIRAJGCH-ZDUSSCGKSA-N 454.146 5.285 50 10 JKGE C[C@@H]1CCC[C@]12[C@@H](Cl)C[C@@H]2OCc1cc(I)ccc1Br 2367610484 HTMILXQTJWHYCZ-GCUJQHFUSA-N 469.588 5.756 50 10 JKGE Cc1ccccc1C[C@@H]1S/C(=C(\C#N)C(=O)Nc2ccc(Cl)cc2)N(c2ccc(F)cc2)C1=O 1790099 GTWDTRRZWTWDRP-GPSDDGMOSA-N 491.975 5.853 50 10 JKGE CC1(C)OC(C)(C)C(C)(C)N(C(=O)[C@H](Br)C23CC4CC(CC(C4)C2)C3)C1(C)C 17729550 NCNOSEWQYJXNGX-JNYXMARXSA-N 454.493 5.940 50 10 JKGE Cc1cc(Cl)ccc1OCC(=O)Oc1ccc2c(c1)OC(N)=C(C#N)[C@H]2c1c(F)cccc1Cl 38680580 COVQTBZRRZUASP-QHCPKHFHSA-N 499.325 5.644 50 10 JKGE CCOc1ccccc1C(=O)Oc1ccc2c(c1)OC(N)=C(C#N)[C@@H]2c1c(F)cccc1Cl 38680670 FHMWBYRBZJNZAY-JOCHJYFZSA-N 464.880 5.315 50 10 JKGE C=CCOc1ccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4ccc(OCC)cc4)ccc32)cc1OC 38680990 JDEQPKJRHNQDSB-MHZLTWQESA-N 498.535 5.096 50 10 JKGE CCCCCOc1cccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4ccc([N+](=O)[O-])cc4)ccc32)c1 38684795 KSCIOHBPYJBBFT-SANMLTNESA-N 499.523 5.601 50 10 JKGE Cc1c(C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@@H]3c2cccc([N+](=O)[O-])c2)oc2ccccc12 38688130 IOTBCMOQTUWYSW-HSZRJFAPSA-N 467.437 5.087 50 10 JKGE COc1ccc(C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@@H]3c2cccc3ccccc23)cc1Cl 38688563 GZMTWVGUOWFUGD-AREMUKBSSA-N 482.923 5.939 50 10 JKGE CCc1ccc(Oc2nc3ccccn3c(=O)c2/C=C(\C#N)C(=O)Nc2cc(C)ccc2C)cc1 39992914 CNFJUACLRCIKJV-LTGZKZEYSA-N 464.525 5.212 50 10 JKGE Cc1c(C(=O)Oc2ccccc2)oc2c1/C(=N/NC(=O)C(c1ccccc1)c1ccccc1)CCC2 40815578 KVLNLXFBOFJNPW-QFMPWRQOSA-N 478.548 5.796 50 10 JKGE Cc1cccc(NC(=O)c2oc3c(c2C)/C(=N/NC(=O)c2ccc(-c4ccccc4)cc2)CCC3)c1 40822738 NBLBCMGQFJFIDQ-WGPBWIAQSA-N 477.564 6.286 50 10 JKGE CCCCCCOc1ccc(/C=C(\C#N)C(=O)Nc2ccccc2C(=O)OCC)cc1OC 40853580 MKLWSXLJMKPQPB-CAPFRKAQSA-N 450.535 5.377 50 10 JKGE CCOc1ccc(/C=C(\C#N)C(=O)Nc2ccc(-c3nc4ccc(C)cc4s3)cc2)cc1OC 40858399 OWEORLZYYDASQD-XSFVSMFZSA-N 469.566 6.225 50 10 JKGE CCCOc1ccc(/C=N/NC(=O)COc2ccc(-c3ccccc3)cc2Br)cc1 40910516 VUIKYDPTBNPCDJ-WGOQTCKBSA-N 467.363 5.434 50 10 JKGE COc1cc(/C=N/NC(=O)COc2ccc(C)cc2Br)ccc1OCc1ccccc1C 40911551 CBOCGPOKCSLQPV-MZJWZYIUSA-N 497.389 5.183 50 10 JKGE COc1cc(/C=N/NC(=O)COc2ccc(C)c(C)c2)ccc1OCc1c(Cl)cccc1Cl 40911602 KIYYCQREBOSNMJ-XODNFHPESA-N 487.383 5.727 50 10 JKGE CC(C)(C)c1ccc(OCCCC(=O)Oc2ccc(/C=C(\C#N)C(=O)NCc3ccco3)cc2)cc1 40935078 HMNDOWIKSGPHLG-RELWKKBWSA-N 486.568 5.565 50 10 JKGE O=C(N/N=C/c1ccc(-c2ccc(Cl)c(Cl)c2)o1)C(=O)Nc1cccc(C(F)(F)F)c1 58914636 OXRUPOKINKSDGM-NSKAYECMSA-N 470.234 5.361 50 10 JKGE Cc1ccc(-n2nc(C)c(/C=N/NC(=O)COc3ccc(C(C)(C)c4ccccc4)cc3)c2C)c(C)c1 59151648 LLFNQTCBLGRJEW-BIZUNTBRSA-N 494.639 5.961 50 10 JKGE O=C(N/N=C/c1cc(Cl)c(OCc2ccc3c(c2)OCO3)c(Cl)c1)c1cc2ccccc2o1 59304534 PCODTFOSYVEVGX-LUOAPIJWSA-N 483.307 5.811 50 10 JKGE O=C(N/N=C/c1cc(-c2ccccc2)n(-c2ccc(Cl)cc2)c1-c1ccccc1)c1ccccc1 59427532 HMCYCENMVJETGG-RUMWWMSVSA-N 475.979 7.229 50 10 JKGE Cc1ccc(Cl)cc1N/C(SCc1ccccc1F)=C(\C#N)S(=O)(=O)c1ccccc1 96482147 MYKMNMTVGMKAKD-FCQUAONHSA-N 472.994 6.299 50 10 JKGE COc1ccc(CCN2C(=O)C(C#N)=C(C)/C(=C\c3ccc(OCc4ccccc4F)cc3)C2=O)cc1 101340357 NYWGPYCOKZHGNO-YZSQISJMSA-N 496.538 5.248 50 10 JKGE Cc1ccc(OCCCOc2ccc(/C=C(/C#N)C(=O)Nc3nc4ccccc4s3)cc2)cc1 102443843 LOHBXDOHFXUORW-FXBPSFAMSA-N 469.566 5.998 50 10 JKGE COc1cccc(-c2csc(/C(C#N)=C\Nc3ccc(S(=O)(=O)Nc4nccs4)cc3)n2)c1 102924322 DLRMHHMSUGPDQI-SSZFMOIBSA-N 495.611 5.053 50 10 JKGE Clc1ccc(C[C@H](Br)c2cc(Br)ccc2Br)cc1 104032028 MADUOPJACPKGPA-AWEZNQCLSA-N 453.399 6.544 50 10 JKGE CC[C@@H](Oc1cc(Br)c(OC)cc1Br)c1nc(CCl)cs1 118817883 JXVDHADYCVUJDS-LLVKDONJSA-N 455.599 5.946 50 10 JKGE COc1ccc([C@H](Cl)c2cc(Br)c(Br)s2)c(OC)c1OC 128285734 RAETULBWHDNQQV-NSHDSACASA-N 456.583 5.627 50 10 JKGE COc1cc([C@@H](Br)c2c(Cl)cccc2Cl)c(OC)cc1Br 134302887 ZRIUEMYPEMLEIX-OAHLLOKOSA-N 454.973 6.257 50 10 JKGE O=[N+]([O-])c1cc(Br)c(Oc2cc(Cl)ccc2CCl)c(Br)c1 161784222 NYCJZOWASNEAQB-UHFFFAOYSA-N 455.917 6.304 50 10 JKGE Cl[C@H](c1cccc(I)c1)c1csc2c(Br)cccc12 163368172 RWIRYRPPURPCDL-CQSZACIVSA-N 463.565 6.597 50 10 JKGE CC(C)(C)OC(=O)N1C[C@@H]2C[C@H]2C[C@H]1CO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C 200327486 TYABDXDGGLKAFS-VABKMULXSA-N 465.710 5.209 50 10 JKGE COc1cc(/C=C2\C(=O)N([C@H](C)c3ccccc3)C(=O)C(C#N)=C2C)ccc1OCc1ccc(C)cc1 214344696 OFKQCGGEJBXDIN-JMTCZITHSA-N 492.575 5.936 50 10 JKGE COc1ccc([C@@H](Cl)c2cc(Br)ccc2I)cc1Cl 234975615 PTLYQKWTSJUCEC-CQSZACIVSA-N 471.947 6.044 50 10 JKGE Cc1cc([C@@H](Br)c2ccc(F)c(Br)c2)c(C)cc1Br 235865841 KIJFATMECSEFDB-HNNXBMFYSA-N 450.971 6.452 50 10 JKGE Cl[C@@H](c1ccc(Br)cc1Br)c1cc(Br)cc2c1OCC2 236033034 ZHWYOZDCUNOARO-AWEZNQCLSA-N 481.409 6.237 50 10 JKGE CC(=NNC(=O)c1sc2cccc(Cl)c2c1Cl)c1ccc(NC(=O)c2ccnn2C)cc1 252601389 DZJKPBNULKUUDA-UHFFFAOYSA-N 486.384 5.348 50 10 JKGE CCOc1cc(C=NNC(=O)c2cccc3ccccc23)ccc1OC(=O)c1ccc(OC)cc1 254295841 GHEMJDFFKSVEHB-UHFFFAOYSA-N 468.509 5.230 50 10 JKGE CC(=NNC(=O)c1sc2cccc(Cl)c2c1Cl)c1cccc(NC(=O)c2ccnn2C)c1 254702057 OKPMQFSQACHGPE-UHFFFAOYSA-N 486.384 5.348 50 10 JKGE Cc1cccc(C(=O)Oc2ccc(C=NNC(=O)c3ccccc3OCc3ccccc3)cc2)c1 254799593 ZCVUDEDLWPRUIJ-UHFFFAOYSA-N 464.521 5.557 50 10 JKGE O=C(Nc1ccc(I)cc1Br)c1ccc(CCl)cc1 311691125 FNRXEAUFKXAQPI-UHFFFAOYSA-N 450.501 5.045 50 10 JKGE O=C(OCc1ccccc1)N1C[C@H](c2cc(Cl)cc(Cl)c2)[C@@H](CI)C1 382693224 QRRBTGUKNFCDBP-MAUKXSAKSA-N 490.168 5.781 50 10 JKGE Cl[C@@H](c1ccc(OCc2ccccc2)cc1)c1cc(I)cc2c1OCC2 388317736 IDYJZEGEBSWQQB-NRFANRHFSA-N 476.741 6.133 50 10 JKGE CC[C@](CBr)(Cc1cc(Cl)ccc1I)c1ccccc1 405520960 JDDQRMUFYLGVPA-QGZVFWFLSA-N 463.584 6.230 50 10 JKGE CC(C)(C)OC(=O)N1CCCC[C@@H]1[C@@H]1CCC[C@]12CCC[C@H](CI)O2 686242392 OKFXYCMHHAAMDW-AXVVYFOYSA-N 463.400 5.319 50 10 JKGE Cl[C@H](c1cccc(I)c1)c1cc(Br)c2c(c1)CCCO2 689609432 FDNDJGBZTLPSAP-OAHLLOKOSA-N 463.540 5.707 50 10 JKGE C[C@H](Cl)c1nc2c(C#N)cccc2n1CC1(N(Cc2ccccc2)Cc2ccccc2)COC1 705611382 SEJGRWGOEZCRBU-NRFANRHFSA-N 471.004 5.679 50 10 JKGE CN(Cc1ccccc1)C(C)(C)Cn1c(CCl)nc2cc(I)ccc21 714227339 WRJVFDQCSUAIEF-UHFFFAOYSA-N 467.782 5.290 50 10 JKGE COc1ccc(C)cc1[C@@H](Cl)c1ccc(I)c(Br)c1 721607380 YRPZCMNVKBMYQY-HNNXBMFYSA-N 451.529 5.699 50 10 JKGE Cc1sc(C)c([C@H](Br)c2ccc(Br)cc2Br)c1C 722488096 VOYJLUNNNHEEJE-CQSZACIVSA-N 453.037 6.683 50 10 JKGE CC(CC(C)(C)c1ccccc1)=NNC(=O)CN(c1ccc(C)cc1)S(=O)(=O)c1ccc(F)cc1 1084115182 HZQHVBCVOHBEFH-UHFFFAOYSA-N 495.620 5.189 50 10 JKGE Cc1ccc(C(=O)NN=Cc2ccc(Oc3ccc([N+](=O)[O-])cc3[N+](=O)[O-])cc2)cc1Cl 1084203801 ZTHZDBZTCBDCAX-UHFFFAOYSA-N 454.826 5.021 50 10 JKGE O=C(NN=Cc1ccc(OC(=O)c2ccccc2)cc1)c1ccc(CSCc2ccccc2)cc1 1084496958 ZWXPHUYKXSNFTB-UHFFFAOYSA-N 480.589 6.103 50 10 JKGE O=C(NN=Cc1ccc(-c2ccc(I)cc2)o1)c1cc2ccccc2o1 1084499881 OOQCGVVJLXHGBP-UHFFFAOYSA-N 456.239 5.061 50 10 JKGE CC(C)(C)OC(=O)N1C[C@@H](CI)[C@H](c2ccc(C(F)(F)F)cc2)C1 1614808317 ZITAIHAKEKOJEE-OCCSQVGLSA-N 455.258 5.091 50 10 JKGE COc1ccc(/C(C#N)=C/c2ccc(OC(=O)CCOc3ccccc3)c(OC)c2)cc1OC 1615066063 JVDQMJAGFMDGAY-RCCKNPSSSA-N 459.498 5.151 50 10 JKGE Cc1ccc(CNC(=O)c2oc3c(c2C)C(=NNC(=O)Cc2coc4c(C)c(C)ccc24)CCC3)cc1 1772752194 YEJCUBFTYKTVJU-UHFFFAOYSA-N 497.595 5.589 50 10 JKGE CCCCCOc1ccc(C=NNC(=O)[C@H](C)Oc2ccc(-c3ccccc3)cc2)cc1OC 1772755468 IUZKJNHRDPHHMU-NRFANRHFSA-N 460.574 5.849 50 10 JKGE CCCCOc1ccc([C@@H]2C(C#N)=C(N)Oc3c2c(C)nn3Cc2ccccc2)cc1OCC 1865686934 FOQROETUZYUGKT-RUZDIDTESA-N 458.562 5.036 50 10 JKGE CCCc1nn(Cc2cccc(Cl)c2)c2c1[C@@H](c1c(OC)ccc3ccccc13)C(C#N)=C(N)O2 1865687854 BXGMWMVITJYFOK-RUZDIDTESA-N 484.987 5.917 50 10 JKGE Cc1ccc(C)c(OCC(=O)NNC(=O)c2ccc(-c3ccc(Cl)cc3Cl)nc2C)c1C 1865759624 JZBRGEDVVWAJND-UHFFFAOYSA-N 472.372 5.129 50 10 JKGE CCN1C(=O)COc2ccc(/C(C)=N\NC(=O)c3ccc(-c4ccc(Cl)cc4Cl)nc3C)cc21 1865763707 ZGYIPYUGFDDIEI-NUJZUDFISA-N 497.382 5.263 50 10 JKGE Cc1c(OCc2ccc(CCl)cc2)ccc2c1O/C(=C\c1cccc(Br)c1)C2=O 1871436715 MIYBYJSTDURYBE-UUYOSTAYSA-N 469.762 6.692 50 10 JKGE CCCCCCOc1ccc(/C=C(\C#N)c2nc(O)c3ccc(C(=O)OC)cc3n2)cc1OC 1872727528 HZARIACFVYURBP-CPNJWEJPSA-N 461.518 5.154 50 10 JKGE CCCCCCCCCOc1ccc(/C=C(\C#N)c2nc3cc(C)ccc3n2C)cc1OCC 1872728379 ZFUGYLFRNQLOMA-LYBHJNIJSA-N 459.634 7.474 50 10 JKGE N#C/C(=C(/O)c1ccccc1I)c1nc(-c2ccccc2Cl)cs1 1872745736 ANMHPVXOUFJKNS-LGMDPLHJSA-N 464.715 6.018 50 10 JKGE COC(=O)c1ccc(/C=C/C(O)=C(\C#N)c2nc(-c3ccc(Oc4ccccc4)cc3)cs2)cc1 1872753806 NSTVZEWLRJUVIJ-WOSXIMIYSA-N 480.545 6.895 50 10 JKGE COc1cc(/C(O)=C(\C#N)c2nc(-c3ccc(OC)c(C)c3C)cs2)c([N+](=O)[O-])cc1OC 1872754327 NIRAUIADGBTXHU-JWGURIENSA-N 467.503 5.311 50 10 JKGE COc1ccc(Cl)cc1N1C[C@H](/C(O)=C(\C#N)c2nc(-c3ccc(F)cc3F)cs2)CC1=O 1872818076 LVXQLLSCIPISCR-QQQNJIPZSA-N 487.915 5.596 50 10 JKGE CCCC1CCC([C@@H](Br)c2cc(Br)ccc2Br)CC1 1878033499 AIJDJEMAXLSQBC-ZEPSKSRBSA-N 453.056 7.254 50 10 JKGE Brc1cc(OCc2ccccc2)ccc1[C@H](Br)[C@@H]1C[C@H]1Br 1886848750 IKKNHUUIJOJHOP-OIISXLGYSA-N 475.018 6.248 50 10 JKGE CC(C)C[C@@H](CBr)CN(OCc1ccccc1)C1CN(C(=O)OC(C)(C)C)C1 1893840129 UYWKXBPBQBORQK-IBGZPJMESA-N 455.437 5.097 50 10 JKGE Cl[C@H](c1ccc(OCc2ccccc2)cc1Br)c1ccsc1Br 1899866953 YEICLEHLUWZYMZ-QGZVFWFLSA-N 472.629 7.180 50 10 JKGE C[C@H](CCl)N(Cc1ccccc1)C(=O)c1cc(I)ccc1Br 1914226749 BZUINTLSJDXYGT-GFCCVEGCSA-N 492.582 5.323 50 10 JKGE O=C(c1scc(Br)c1Br)N(Cc1ccccc1)[C@@H](CCl)C1CC1 1915199245 VMPGQAAVSMBVKX-AWEZNQCLSA-N 477.649 5.933 50 10 JKGE CC(C)(CBr)N(Cc1ccccc1)S(=O)(=O)c1cc(Cl)ccc1Cl 1915770598 DIIIRHKUFNVHNB-UHFFFAOYSA-N 451.213 5.358 50 10 JKGE Brc1cc(Br)c([C@@H](Br)c2cccc3c2CCCC3)s1 1922884748 NHZIJUNAGNOBID-AWEZNQCLSA-N 465.048 6.636 50 10 JKGE CC[C@H](c1ccccc1)[C@H](Br)c1sc(Br)c(C)c1Br 1922899755 DXBZOFDYWCJPGG-YPMHNXCESA-N 467.064 7.211 50 10 JKGE Cc1c(Cl)cccc1[C@@H](Cl)c1c(Br)sc(Br)c1Br 1924592075 WGOBVBIFHMCIIJ-SNVBAGLBSA-N 493.873 7.326 50 10 JKGE Clc1sc(Br)c(Cl)c1[C@@H](Br)c1ccsc1Br 1925623797 VLCCAIDBZCGXSZ-YFKPBYRVSA-N 485.875 7.126 50 10 JKGE CCc1cc(Br)c([C@@H](Br)c2cc(C)sc2Br)s1 1951016580 PZOZPXBMDYPHFE-JTQLQIEISA-N 459.066 6.690 50 10 JKGE Brc1csc([C@@H](Br)c2sc(Br)cc2Br)c1 1961676087 DVXXQDCQRJLJGT-MRVPVSSYSA-N 495.881 6.581 50 10 JKGE Brc1csc([C@@H](Br)c2ccc(Br)cc2Br)c1 1994123775 CRTIAOGCWQPIQZ-NSHDSACASA-N 489.852 6.520 50 10 JKGE Cc1cc([C@H](Br)c2csc(Br)c2Br)c(F)cc1F 2032958512 FRSMXXPPLJWONH-JTQLQIEISA-N 460.963 6.344 50 10 JKGE CN(CCN(Cc1ccccc1)S(=O)(=O)c1ccc(F)c(CCl)c1F)Cc1ccccc1 2034752934 UCXALBRNXDZWEE-UHFFFAOYSA-N 478.992 5.027 50 10 JKGE Clc1cc([C@@H](Br)c2cscc2OCc2ccccc2)c(Cl)c(Cl)c1Cl 2038689221 VPPZJBIPTPELMX-OAHLLOKOSA-N 497.068 8.425 50 10 JKGE CC12CCC([C@H](Br)c3sc(Br)cc3Br)(CC1)CO2 2069712508 OCOUQTCOGLVUCU-PNESKVBLSA-N 459.041 6.058 50 10 JKGE Brc1cccc([C@@H](Br)c2ccc(CC3CC3)s2)c1Br 2092333653 BUGWTYUWKMIFHM-OAHLLOKOSA-N 465.048 6.710 50 10 JKGE COc1cc(Cl)c([C@@H](Cl)c2csc(Br)c2Br)cc1Cl 2093947737 FDTQKSZPZLZDPU-LLVKDONJSA-N 465.421 6.917 50 10 JKGE CN(c1ccc(CBr)c(Br)c1)[C@@H]1C[C@@H]2CC[C@H](C1)N2Cc1ccccc1 2094899736 DRTRMVIIQBEQRH-AERCQKQUSA-N 478.272 5.976 50 10 JKGE Brc1cccc(Br)c1CN1[C@H]2CCC[C@@H](Br)[C@H]1CC2 2097810550 CHJZNLVCYGSVQB-COLVAYQJSA-N 452.028 5.492 50 10 JKGE Clc1c(Br)ccc(CBr)c1N1CC[C@@H]2CN(Cc3ccccc3)C[C@H]2C1 2112430494 NEGCTFMCADKTOC-MSOLQXFVSA-N 498.690 5.956 50 10 JKGE ClCc1nc2cc(Cl)c(Br)cc2n1C1(CCOCc2ccccc2)CC1 2112691185 PIFXQTYVLOPZBZ-UHFFFAOYSA-N 454.195 6.287 50 10 JKGE ClCCc1nc2cc(Cl)c(Br)cc2n1C[C@@H]1CCN1Cc1ccccc1 2112694510 AVLZMFGUFIRFPA-HNNXBMFYSA-N 453.211 5.508 50 10 JKGE Cc1cc(Br)c(F)c(C[C@H](Br)c2ccc(Br)cc2)c1 2113492975 HXTMCIRSXRWVKC-ZDUSSCGKSA-N 450.971 6.338 50 10 JKGE O=C(N[C@H](CBr)c1cccs1)c1c(Br)cccc1Br 2119037020 BEKWHPIVSVTUFH-SNVBAGLBSA-N 468.008 5.139 50 10 JKGE O=S(=O)(c1ccc(CBr)c(Cl)c1)N(Cc1ccccc1)C1CCCCC1 2123204164 ILEBJLGGIPRMSI-UHFFFAOYSA-N 456.833 5.759 50 10 JKGE O=C(c1cc(Br)sc1Br)N1[C@H]2CC[C@@H]1C[C@@H](CBr)C2 2128149668 LWJRCWHCFATUEZ-PSVAKVPMSA-N 472.040 5.051 50 10 JKGE CC(C)[C@@H](CBr)N(Cc1ccccc1)C(=O)c1cc(Br)ccc1[N+](=O)[O-] 2129199673 PBIXYLOIBURWGY-GOSISDBHSA-N 484.188 5.419 50 10 JKGE Cc1cc(Br)c(C)c([C@H](Br)C[C@H]2CCO[C@H]2C)c1Br 2136381567 IYOQPQHJSQDHGJ-DMDPSCGWSA-N 455.028 6.080 50 10 JKGE CC[C@@]12CC[C@@]([C@H](Br)c3cc(Br)ccc3Br)(CO1)C2 2137185422 LUNMDFLSLYAVNZ-ILXRZTDVSA-N 453.012 5.997 50 10 JKGE COc1cc(F)c(Cl)cc1[C@@H](Br)c1csc(Br)c1Br 2142378808 SBWMOOSFQCBALN-SNVBAGLBSA-N 493.417 6.559 50 10 JKGE O=C1Cc2cc([C@@H](Br)c3cccc(Br)c3Br)ccc2N1 2148748379 CCPRHKVFAUXQMC-CQSZACIVSA-N 459.963 5.191 50 10 JKGE BrCc1cc(Br)ccc1N1CCC[C@@]2(CN(Cc3ccccc3)CCO2)C1 2151736552 ARLRCOKHRIDOCE-JOCHJYFZSA-N 494.271 5.215 50 10 JKGE CO[C@@](C)(COCc1ccccc1)Cn1c(CCl)nc2cc(C)c(Br)cc21 2158591082 YGMBMPTYOZZBMP-OAQYLSRUSA-N 451.792 5.468 50 10 JKGE Brc1ccc(Br)c([C@@H](Br)Cc2ccc3c(c2)CCO3)c1 2168658709 FPPQCNVWHKFPDX-HNNXBMFYSA-N 460.991 5.825 50 10 JKGE CC1(C)C[C@@](C)(CBr)CN1C(=O)c1c(Br)cccc1Br 2199536058 PTIGPZMIISPRNB-HNNXBMFYSA-N 468.027 5.237 50 10 JKGE Cc1cc(Br)c(C)c([C@H](Br)[C@@H]2C(F)(F)C23CCC3)c1Br 2201067377 KMCQEBPTMQZGDN-STQMWFEESA-N 472.993 6.700 50 10 JKGE Cc1cc(Br)c(C)c([C@H](Br)C2CC3(C2)CC32CC2)c1Br 2201073450 MJAKCEAMTUEZSM-GMQFJONSSA-N 463.051 6.845 50 10 JKGE COc1cc2c(cc1Br)nc(CCCl)n2C[C@H](C)COCc1ccccc1 2202307663 CGVZVPFFXZYYPI-HNNXBMFYSA-N 451.792 5.442 50 10 JKGE COc1ccc([C@H](Cl)c2cc(Br)ccc2Br)c(Cl)c1Cl 2203448486 UXLFNADQOUXIPU-LBPRGKRZSA-N 459.392 6.855 50 10 JKGE FC1(F)CCC[C@@H](O[C@@H](CI)c2cccc(Br)c2)CC1 2207036873 FOQCIXLLWGWOCX-KGLIPLIRSA-N 459.112 5.910 50 10 JKGE CCCC[C@H](C)CC[C@H](Br)c1c(C)c(Br)cc(C)c1Br 2207148381 SDAJBKSFPXNJIF-FZMZJTMJSA-N 469.099 7.871 50 10 JKGE Fc1cc(Br)c(Br)cc1[C@H](Br)[C@@H]1CCCC12CCC2 2225617157 LZHTUKALCDZFMH-HZMBPMFUSA-N 455.003 6.757 50 10 JKGE Fc1cc(Br)c(Br)cc1[C@@H](Br)C[C@H]1CCC12CCC2 2225619524 KGBUPJVDTWRLNH-KOLCDFICSA-N 455.003 6.757 50 10 JKGE Cc1c(F)ccc([C@H](Br)c2cc(Br)cc(Br)c2)c1F 2231080144 RCJLUHKNJDVQLD-CYBMUJFWSA-N 454.934 6.283 50 10 JKGE Clc1ccc(Cl)c([C@H](Br)c2c(Br)cc(Cl)c(Cl)c2Cl)c1 2232515231 ZDIFZJVZPQNPSL-NSHDSACASA-N 498.256 8.200 50 10 JKGE Clc1cc(Br)c([C@H](Br)[C@H]2C[C@H]2C2CCCC2)c(Cl)c1Cl 2232518072 ZESAEAHRJHDTAI-MWODSPESSA-N 461.452 7.672 50 10 JKGE C[C@@H]1CCN(Cc2ccccc2)C[C@@H]1n1c(CCl)nc2c(F)cc(Br)cc21 2232916639 SQHWVUCCEXRUNU-KUHUBIRLSA-N 450.783 5.760 50 10 JKGE O=C(c1csc(Br)c1Br)N1CC[C@@H]2[C@H](Br)CCC[C@H]2C1 2233741816 CMXHQFWSOBRJLG-ATZCPNFKSA-N 486.067 5.299 50 10 JKGE Cc1ccc([C@H](Br)c2c(Br)cc(C)c(Br)c2C)cc1F 2235604421 NNSCKTAXOSBSGX-INIZCTEOSA-N 464.998 6.760 50 10 JKGE CC1(C)CN(C(=O)c2cccc(Br)c2Br)C[C@@H]1CCBr 2238475550 RKTCYAXYEXIWFM-JTQLQIEISA-N 468.027 5.095 50 10 JKGE COC12CCC([C@@H](Br)c3ccc(Br)c(C)c3Br)(CC1)C2 2240270215 CIPROHNTUPIQLT-FHERZECASA-N 467.039 6.305 50 10 JKGE FC1(F)CC[C@@H]([C@H](Br)c2c(Br)sc(Br)c2Cl)C1 2252723790 SNNOSPUWRQLFEK-XINAWCOVSA-N 473.402 6.798 50 10 JKGE Clc1cccc([C@@H](Cl)c2cc(Br)ccc2Br)c1Br 2256130450 CUHOEOQJAZAVOL-CYBMUJFWSA-N 473.817 6.956 50 10 JKGE Clc1ccc(I)cc1Oc1c(Cl)cccc1CBr 2259930993 ZLQMDYIPYDRNOS-UHFFFAOYSA-N 457.920 6.285 50 10 JKGE Cc1cc(Cl)c([C@@H](Br)c2c(F)cccc2I)cc1Cl 2267744611 OAEDCLSKWVUZFP-CQSZACIVSA-N 473.938 6.530 50 10 JKGE Clc1ccc(I)cc1OCC1(CBr)CCCCCC1 2272695331 AHNBLIIGPJWPQG-UHFFFAOYSA-N 457.577 6.059 50 10 JKGE CC[C@@H]1CC[C@H]([C@H](Br)c2c(F)cc(Br)c(F)c2Br)O1 2272722595 UBWZXORTGGUDQT-CGYDSVCVSA-N 462.954 5.883 50 10 JKGE Cn1cc(Cl)c([C@H](Br)c2c(F)cc(Br)c(F)c2Br)n1 2272855270 LFRXGYQTQNDIAZ-SECBINFHSA-N 479.344 5.361 50 10 JKGE Clc1cccc([C@@H](Cl)c2csc3c(Br)cccc23)c1Br 2283197122 DKMGRIIXGCZCKU-CQSZACIVSA-N 451.010 7.408 50 10 JKGE COc1ccc([C@H](Br)C23CC(C)(C2)OC3(C)C)cc1I 2285006822 YAZCPDZUETYANF-JEYLPNPQSA-N 451.142 5.084 50 10 JKGE Cc1cc(F)c(Br)cc1[C@@H](Cl)c1ccc(Br)c(C)c1Br 2285983061 AYVAZQTYXXHJEP-HNNXBMFYSA-N 485.416 7.058 50 10 JKGE COCCOc1ccc([C@H](Br)c2cocc2Br)cc1Br 2285993312 IZOHYVURZLWSJG-AWEZNQCLSA-N 468.967 5.314 50 10 JKGE Fc1cc(Br)c(F)c(Br)c1[C@H](Br)[C@@H]1C[C@@H]2CCCC[C@H]21 2288372915 CPOXEMXQOLJSKE-XHGVETGHSA-N 472.993 6.752 50 10 JKGE CC(C=NNC(=O)CSc1nnc(-c2ccc(C)cc2)n1-c1ccccc1)=Cc1ccco1 2293332618 NCHYDMAUNMBSQW-UHFFFAOYSA-N 457.559 5.133 50 10 JKGE COc1cc(C=C(C#N)c2nc(-c3ccc4ccccc4c3)cs2)ccc1OCc1ccccc1 2296049194 BYGYTUIKOGOXOI-UHFFFAOYSA-N 474.585 7.615 50 10 JKGE CCCOc1ccc(-c2nn(-c3ccccc3)cc2C=C(C#N)c2nc3ccccc3[nH]2)cc1Cl 2296545561 ZSLBAAKFNCBEMA-UHFFFAOYSA-N 479.971 6.922 50 10 JKGE N#CC(=Cc1ccc(-c2ccccc2Cl)o1)C(=O)Nc1ncc(Cc2cccc(Cl)c2)s1 2296818975 HJCCNOHHGUGFDF-UHFFFAOYSA-N 480.376 6.846 50 10 JKGE COc1ccccc1OCCn1cc(C=C(C#N)C(=O)Nc2nc3ccccc3s2)c2ccccc21 2297500330 BKMNWYRICIJVMY-UHFFFAOYSA-N 494.576 5.884 50 10 JKGE CC(C)(CC(F)F)[C@H](Br)c1ccc(OCc2ccccc2)cc1Br 2299492517 CQYIYTFTEFRPBN-GOSISDBHSA-N 462.172 7.146 50 10 JKGE Brc1cc(OCc2ccccc2)ccc1[C@H](Br)[C@@H]1CCCC12CC2 2299535837 TUJBVTCCJSYWNE-ICSRJNTNSA-N 450.214 7.044 50 10 JKGE Brc1cc(OCc2ccccc2)ccc1[C@@H](Br)C[C@H]1CC[C@@H]2C[C@H]12 2299535852 TWTQZOFXOCEWGN-YKCBXCCJSA-N 450.214 6.900 50 10 JKGE BrCc1cccc(Oc2cc(Br)cc(I)c2)n1 2301127690 IOSASXJODDYBRP-UHFFFAOYSA-N 468.914 5.136 50 10 JKGE Clc1ccc(CO[C@@H]2CCCC[C@@H]2I)c(I)c1 2301817712 JTLCVFYDGDRPNJ-WCQYABFASA-N 476.523 5.207 50 10 JKGE FC(F)(F)[C@H]1C[C@@H]([C@H](Br)c2cc(Br)sc2Br)C1 2307503974 UZWGBNSSUFCZRC-UUEMRFSQSA-N 456.947 6.298 50 10 JKGE Cc1ccc(NC(=O)C(C#N)=Cc2ccc(OCc3ccccc3C#N)c(Br)c2)cc1C 2313510984 HPBBHUXRSAHYIJ-UHFFFAOYSA-N 486.369 6.062 50 10 JKGE C[C@@]1([C@H](Br)c2cc(Br)ccc2OCc2ccccc2)CCCC1(F)F 2314456346 WLALTISGNUKGLS-MOPGFXCFSA-N 474.183 7.290 50 10 JKGE Fc1cc([C@H](Br)c2ccc(OCc3ccccc3)cc2Br)ccc1Cl 2314501190 VCUGXVUQXFZAQB-FQEVSTJZSA-N 484.590 7.305 50 10 JKGE CCOC(=O)c1c(NC(=O)C(C#N)=Cc2ccc(-c3ccccc3Cl)o2)sc2c1CC[C@H](C)C2 2314572209 WDENHEXWHZCIIS-HNNXBMFYSA-N 495.000 6.509 50 10 JKGE N#CC(=Cc1ccc(-c2cccc(Cl)c2Cl)o1)c1nc(-c2ccc3ccccc3c2)cs1 2314572300 XXZOSNWSLBYLII-UHFFFAOYSA-N 473.384 8.594 50 10 JKGE COc1ccc(N2C(=O)[C@H](Cc3ccc(F)cc3)SC2=C(C#N)C(=O)Nc2cccc(C)c2)cc1 2314592276 PORKMMHJAFTLPH-DEOSSOPVSA-N 487.556 5.208 50 10 JKGE C=CCNC(=O)C(C#N)=C1S[C@@H](Cc2ccc(CC)cc2)C(=O)N1c1ccc(C(C)C)cc1 2314594109 ZETNPHXHEVRGTM-DEOSSOPVSA-N 459.615 5.101 50 10 JKGE ClC[C@@H](Cc1cccc(Br)c1)Cc1sccc1I 2316666356 MMCAOHYPWZGXCM-NSHDSACASA-N 455.586 5.755 50 10 JKGE Cc1c([C@@H](Br)c2sc(Cl)cc2I)ccc(Cl)c1Cl 2316985655 WWNCZPBJXPGZOT-SNVBAGLBSA-N 496.422 7.106 50 10 JKGE Clc1ccc([C@@H](Br)Cc2ccccc2Cl)c(I)c1 2317769744 YOCAKHTYHLKTTE-LBPRGKRZSA-N 455.948 6.277 50 10 JKGE C=CCn1c(SCC(=O)NN=Cc2ccc(C)cc2)nc2scc(-c3ccc(C)cc3)c2c1=O 2320482174 ABJLNYSRJYDSFY-UHFFFAOYSA-N 488.638 5.170 50 10 JKGE Cc1nc(-c2ccc(F)cc2F)ccc1C(=O)NNC(=O)C=Cc1cccc(OCc2ccccc2)c1 2321153350 XHXOTRAIXUIKTF-UHFFFAOYSA-N 499.517 5.389 50 10 JKGE COc1cc(C=NNC(=O)c2ccc(-c3ccc(Cl)c(Cl)c3)nc2C)cc(OC)c1OC 2321248695 TZUGCDVIRWZMQP-UHFFFAOYSA-N 474.344 5.154 50 10 JKGE CC[C@@H](C)[C@@H](C(O)=C(C#N)c1nc(-c2ccccc2Cl)cs1)N1C(=O)c2ccccc2C1=O 2331271564 UUFSBMOPAAIYGI-SZNDQCEHSA-N 477.973 5.967 50 10 JKGE N#CC(=C(O)c1cc(C(F)(F)F)cc(C(F)(F)F)c1)c1nc(-c2ccc([N+](=O)[O-])cc2)cs1 2331281585 QUYRDVSYWNTRMV-UHFFFAOYSA-N 485.365 6.706 50 10 JKGE COc1cc(Cl)c(C)cc1-c1csc(C(C#N)=C(O)CNC(=O)c2ccc(C(C)(C)C)cc2)n1 2331390420 KIYKVBGMWVORHW-UHFFFAOYSA-N 496.032 6.301 50 10 JKGE COc1ccc(Cl)cc1N1C[C@H](C(O)=C(C#N)c2nc(-c3c(C)cc(C)cc3C)cs2)CC1=O 2331393978 PGKPULSISPHIDJ-QGZVFWFLSA-N 494.016 6.243 50 10 JKGE COc1cc(C=C(C#N)c2nc(-c3ccc(C)c(C)c3)cs2)ccc1OCc1ccc(C)cc1 2331472822 YJXBWTGTLDKUMM-UHFFFAOYSA-N 466.606 7.387 50 10 JKGE CN(c1cccc(Br)c1CBr)[C@H]1C[C@@H]2C[C@@H](OCc3ccccc3)C[C@H]12 2332003779 YUUUFYJHGMTZRM-SUWCGCSTSA-N 479.256 6.164 50 10 JKGE CCC[C@@H]1CC[C@H](Br)[C@@H](Cc2ccc(Cl)c(I)c2)C1 2337275918 ATUNFQQOVAZILT-BNOWGMLFSA-N 455.605 6.467 50 10 JKGE CCCOc1ccc([C@H](Br)c2cnsc2Br)cc1Br 2337311232 IEQUBGRPROXNKN-LBPRGKRZSA-N 470.024 5.941 50 10 JKGE C[C@H]1CCC[C@](CBr)(Cc2ccc(Cl)cc2I)CC1 2341053422 XWDQVZLLCWHCGP-BLLLJJGKSA-N 455.605 6.469 50 10 JKGE COc1c(F)cc([C@H](Br)c2scc(Br)c2Br)cc1F 2344294415 DWRLPWURNJKNFC-VIFPVBQESA-N 476.962 6.044 50 10 JKGE FC1(F)CC[C@H](Cl)[C@@H](Cc2ccc(I)c(Br)c2)CC1 2349777694 CYFPJDCKJJACJY-PWSUYJOCSA-N 463.531 6.029 50 10 JKGE CC1(C)CC(CCl)(CNCc2ccc(I)c(Br)c2)C1 2349860020 YYOSRMODMKYKKF-UHFFFAOYSA-N 456.593 5.189 50 10 JKGE CC1(C)C[C@](C)(CBr)CN1Cc1cc(I)ccc1Cl 2352432700 WSUXPYAMEDELOA-OAHLLOKOSA-N 456.593 5.330 50 10 JKGE Cc1cc(Br)c(CBr)c(N(C)[C@H]2C[C@@H]3C[C@H](OCc4ccccc4)C[C@H]23)c1 2357088754 CLHHHRKRJGVUIY-KGYLXKDPSA-N 493.283 6.473 50 10 JKGE Fc1cc(Cl)c(Br)c(Cl)c1[C@H](Br)c1cscc1C(F)F 2360399716 FWDFXYWFWHDJEB-SECBINFHSA-N 468.947 7.378 50 10 JKGE CC[C@H](C[C@H](Br)c1c(Cl)cc(Br)c(F)c1Br)C(C)(C)C 2362246490 AJWVSGUCFMCPBU-BDAKNGLRSA-N 493.480 7.903 50 10 JKGE CN(Cc1ccccc1I)c1cc(Cl)c(F)cc1CBr 2362396860 GKXZSZZKNQIFQQ-UHFFFAOYSA-N 468.535 5.615 50 10 JKGE N#C/C(C(=O)NCc1ccccc1)=C1\S[C@H](Cc2ccccc2)C(=O)N1c1ccc(Cl)cc1 935203 KJQCBCHYCFPONY-QPQMVVSWSA-N 473.985 5.083 50 10 JKGE CCCCOc1cccc(C(=O)NNC(=O)c2ccc(NC(=O)c3ccc(C(C)(C)C)cc3)cc2)c1 14041650 XRYUEAKTJWDWRA-UHFFFAOYSA-N 487.600 5.490 50 10 JKGE C/C(=N/NC(=O)CCC(=O)Nc1cc(C(F)(F)F)ccc1Cl)c1ccc(Br)cc1 27497967 VTUOHYCHADSRLD-RAWMCFOBSA-N 490.707 5.380 50 10 JKGE CC[C@H]1[C@H](C)[C@@H](Nc2ccc(SC#N)cc2)c2ccccc2N1C(=O)c1ccc(C(C)C)cc1 33575780 HCLBIUVDGKKIDF-IYKJZBSOSA-N 469.654 7.611 50 10 JKGE Cc1cccn2c(=O)c(/C=C(/C#N)c3nc4ccccc4n3C)c(Oc3ccc(C(C)(C)C)cc3)nc12 33891666 KZCDLNIVBBESDJ-JZJYNLBNSA-N 489.579 6.044 50 10 JKGE CCCOc1ccc(C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@H]3c2ccc(Cl)cc2)cc1 38651358 LODAFXRDSIEDKB-DEOSSOPVSA-N 460.917 5.566 50 10 JKGE N#CC1=C(N)Oc2cc(OC(=O)c3ccccc3Br)ccc2[C@@H]1c1c(F)cccc1Cl 38680189 BPEVOKZCIVYRHQ-FQEVSTJZSA-N 499.723 5.679 50 10 JKGE CSc1ccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4oc5ccccc5c4C)ccc32)cc1 38700689 XDPMFXIJMNCAFV-DEOSSOPVSA-N 468.534 5.901 50 10 JKGE Cc1cccc(Oc2nc3c(C)cccn3c(=O)c2/C=C(/C#N)C(=O)Nc2ccc(F)cc2)c1C 39858807 VRKAIUHKPGFPJM-RGEXLXHISA-N 468.488 5.097 50 10 JKGE COC(=O)c1c(NC(=O)/C(C#N)=C/c2ccc(OCc3ccccc3)cc2)sc2c1CCCC2 39885105 YZKGVLGEQHTLQR-HMMYKYKNSA-N 472.566 5.538 50 10 JKGE C=CCOc1cccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4cccc(OCC)c4)ccc32)c1 40529899 XZNROPSZHBVRNW-SANMLTNESA-N 468.509 5.087 50 10 JKGE CCCc1ccc(OCC(=O)N/N=C/c2ccc(OCc3ccccc3Cl)c(OC)c2)cc1 40846828 CHMROMVENRGUAQ-LQKURTRISA-N 466.965 5.409 50 10 JKGE COc1cc(/C=N/NC(=O)COc2ccc(Cl)cc2C)ccc1OCc1ccc(C)cc1 40911187 QFCNBUVQJIKKLG-MZJWZYIUSA-N 452.938 5.074 50 10 JKGE COc1cc(/C=N\NC(=O)CC[C@H](O)c2ccccc2)ccc1OCc1ccc(Cl)cc1Cl 58887310 GKOUOJFJGSRYOH-WHXCVRPHSA-N 487.383 5.545 50 10 JKGE O=C(CC[C@@H](O)c1ccccc1)N/N=C\c1cc(Br)ccc1OCc1ccccc1F 58892482 MLWNHTLNZXXBSY-RJNBOEKGSA-N 485.353 5.131 50 10 JKGE C=CCc1cc(/C=N\NC(=O)CC[C@H](O)c2ccc(OCC)cc2)ccc1OCc1ccccc1C#N 58895121 AVYDPASDUKOROT-VJRIHLSISA-N 497.595 5.228 50 10 JKGE C[C@H]1CC(C)(C)N2CCC(C)(C)c3cc(/C=C/C4=CC(=C(C#N)C#N)C=C(C(C)(C)C)O4)cc1c32 72266021 DIWDPVMOQKJXBB-XTXLJPNXSA-N 467.657 7.661 50 10 JKGE Cc1ccc([C@@H](C(=O)NC2CCC(C)CC2)N(Cc2ccccc2Cl)C(=O)CCl)cc1 97914731 BBAOBWVUIPKLFU-DLUKIOLESA-N 461.433 5.652 50 10 JKGE COc1cc(/C=C(/C#N)C(=O)c2ccc(C)cc2)ccc1OCc1c(Cl)cccc1Cl 98031162 TYOOUMXNUXXBQH-UNOMPAQXSA-N 452.337 6.679 50 10 JKGE Cl[C@@H](Cc1ccc(Br)cc1)c1cc(Br)ccc1Br 104044525 ZSLSDSPNTQAJGL-AWEZNQCLSA-N 453.399 6.497 50 10 JKGE CCc1ccccc1N/C(SCc1c(F)cccc1Cl)=C(\C#N)S(=O)(=O)c1ccccc1 104689169 QWLZPHASQCLCOZ-VHXPQNKSSA-N 487.021 6.553 50 10 JKGE Brc1ccc([C@H](Br)c2ccc(Br)c3ccccc23)s1 127470635 FHLMXLIJJSGKRR-OAHLLOKOSA-N 461.016 6.911 50 10 JKGE Cc1cc([C@H](Cl)c2cc(Br)c(Br)s2)sc1Br 128146451 YAYOGMRYSZXDLY-QMMMGPOBSA-N 465.457 6.734 50 10 JKGE COc1ccc([C@@H](Br)c2c(F)cccc2Br)c(Br)c1 161206439 GSBXLZAIJSLYSS-CQSZACIVSA-N 452.943 5.844 50 10 JKGE CC1(C)CC[C@H](CC(CBr)(CBr)c2ccccc2Br)O1 161378553 HCQCTPVNYYVJJP-GFCCVEGCSA-N 469.055 5.824 50 10 JKGE CCCCCCC(=O)C/C(=N/NC(=O)c1cc2ccccc2cc1O)C(=O)Nc1ccccc1CC 198723700 URQBQVHIMPINFE-ZXPTYKNPSA-N 487.600 5.762 50 10 JKGE C=CCOc1cccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)/C=C\c4ccc(C)cc4)ccc32)c1 205658806 GOTLWMXHTQKSGR-WBLLEXCOSA-N 464.521 5.397 50 10 JKGE C[C@H](NC(=O)/C(C#N)=C\c1cn(-c2ccccc2)nc1-c1ccc2c(c1)OCO2)c1ccccc1 210034357 MDMOGXZRDQPFJT-MAGMUUGSSA-N 462.509 5.052 50 10 JKGE CC1=C(C#N)C(=O)N(C2CCCC2)C(=O)/C1=C\c1cn(-c2ccccc2)nc1-c1ccc(C)c(F)c1 214358606 PEJUBEIWTFMYOI-OYKKKHCWSA-N 480.543 5.522 50 10 JKGE O=C(NN=Cc1ccccc1OCc1ccccc1)c1ccn(Cc2ccc(Cl)cc2Cl)n1 252617935 LBSURSSKTAUJNG-UHFFFAOYSA-N 479.367 5.581 50 10 JKGE CC(C)CCC[C@H](C)[C@@H]1CC[C@@H]2[C@@H]3CC=C4C[C@H](SC(=O)Cl)CC[C@]4(C)[C@@H]3C[C@H](C)[C@H]12 253534604 RVIFINDCMXZRRC-WONXYRSBSA-N 465.187 9.344 50 10 JKGE Cc1ccc(C(=O)Oc2ccc3ccccc3c2C=NNC(=O)Cc2cccc3ccccc23)cc1 254404283 VQOBJLMYRMULLG-UHFFFAOYSA-N 472.544 6.213 50 10 JKGE C/C(C=NNC(=O)CSc1nnc(-c2ccc(C)cc2)n1-c1ccc(C)cc1)=C/c1ccccc1 254623942 MMTWBCANJADSGL-XZGCYHPKSA-N 481.625 5.849 50 10 JKGE C[C@@]1(CI)CC[C@@H](c2cc(Br)c(Br)s2)O1 306544531 YMDQUBFUUMCSJC-XVKPBYJWSA-N 465.976 5.318 50 10 JKGE Clc1ccc(Br)cc1[C@@H](Cl)c1cc(I)cc2c1OCC2 312377450 QQCDWQNDNZSMFJ-CQSZACIVSA-N 483.958 5.970 50 10 JKGE Cc1cc(Br)ccc1[C@@H](Br)c1scc(C(F)(F)F)c1Br 312962649 NMZWPNYMFRWRQV-SNVBAGLBSA-N 492.980 7.085 50 10 JKGE Fc1cc2c(cc1I)nc(CCCl)n2[C@@H]1CCCN(Cc2ccccc2)C1 379555434 RPLNWXXUNDUPEY-MRXNPFEDSA-N 497.783 5.398 50 10 JKGE CC(C)(C)OC(=O)N1C[C@H](c2cc(Br)ccc2Br)[C@@H](CBr)C1 382694768 SRDAFIPISHPLEN-GWCFXTLKSA-N 498.053 5.557 50 10 JKGE COc1ccc(Br)cc1[C@@H]1CN(C(=O)OCc2ccccc2)C[C@@H]1CBr 382704908 RSWZUEJKXBGQFU-MAUKXSAKSA-N 483.200 5.205 50 10 JKGE CC(C)(C)[Si](C)(C)OCCc1ccc([C@@H]2CCN(CCO[Si](C)(C)C(C)(C)C)CCO2)cc1 616665601 NWORORDLTAPBEO-VWLOTQADSA-N 493.881 7.036 50 10 JKGE COc1ccc(P(c2ccccc2)c2ccccc2P(C2=C[CH-][CH-]C=C2)c2ccccc2)cc1 642880692 NJEJQGMORHVMFU-UHFFFAOYSA-N 476.496 5.748 50 10 JKGE Clc1ccc(CC(CBr)(CBr)c2ccccc2Br)nc1 703898982 HIZDHOVANLIPMF-UHFFFAOYSA-N 482.441 5.768 50 10 JKGE Brc1ccc([C@H](Br)c2scc(Br)c2Br)s1 705408041 FIXGRFSCXAWBOP-QMMMGPOBSA-N 495.881 6.581 50 10 JKGE Clc1cc([C@@H](Cl)c2scc(Br)c2Br)sc1Br 705410885 VAQIHLBTMIDLFW-SSDOTTSWSA-N 485.875 7.079 50 10 JKGE CC1CCC(CBr)(NC(=O)c2scc(Br)c2Br)CC1 705421621 ZBWYLXXOJSTXJV-UHFFFAOYSA-N 474.056 5.347 50 10 JKGE CC(C)c1ccc([C@H](Br)c2scc(Br)c2Br)cc1 705423809 GMOAPAWRWSRIKG-LBPRGKRZSA-N 453.037 6.881 50 10 JKGE C[C@@H](Cl)c1nc2cccc(F)c2n1CC1(N(Cc2ccccc2)Cc2ccccc2)COC1 705783876 TUPPIJYDTBPMSC-HXUWFJFHSA-N 463.984 5.947 50 10 JKGE Cc1cc(Br)c([C@@H](Br)C[C@@H]2CCCC2(F)F)cc1Br 713958370 OSWDUXWWBDAIIM-ZANVPECISA-N 460.982 6.782 50 10 JKGE ClCc1nc2cc(I)ccc2n1C1CC(OCc2ccccc2)C1 716272248 AXBUZCXHGNIMQT-UHFFFAOYSA-N 452.723 5.300 50 10 JKGE CC(C)(C)c1ccc(C(=O)NN=Cc2cccc(OCc3ccc(Cl)cc3Cl)c2)cc1 1084112297 SMCSJSSRQVYONQ-UHFFFAOYSA-N 455.385 6.634 50 10 JKGE CCc1ccccc1NC(=O)C(=O)NN=Cc1cccc(OCc2ccc(Cl)cc2Cl)c1 1084437743 NOEZVDAFNBENDD-UHFFFAOYSA-N 470.356 5.224 50 10 JKGE CCCCCOc1ccccc1C(=O)NN=C1C(=O)N(Cc2ccccc2F)c2ccccc21 1084506875 XZRCCRAVXAGEPP-UHFFFAOYSA-N 459.521 5.076 50 10 JKGE CCCOc1ccc([C@H]2CN(C(=O)OCc3ccccc3)C[C@H]2CI)cc1 1614614643 CMXBMNDVUGLDRJ-TZIWHRDSSA-N 479.358 5.263 50 10 JKGE COc1ccc(-c2nn(CC(C)C)c3c2[C@@H](c2ccc(C(C)(C)C)cc2)C(C#N)=C(N)O3)cc1 1865682061 DVSKEHTXXXLMBO-QHCPKHFHSA-N 456.590 5.730 50 10 JKGE CCCc1nn(-c2ccccc2Cl)c2c1[C@@H](c1c(Cl)cccc1Cl)C(C#N)=C(N)O2 1865685313 GTZXIPZGHWZNRK-GOSISDBHSA-N 459.764 6.003 50 10 JKGE CCCc1nn(CCC)c2c1[C@H](c1ccc(OCc3ccc(C)cc3)c(OCC)c1)C(C#N)=C(N)O2 1865687776 AHSPDVZPWQKRLB-AREMUKBSSA-N 486.616 5.750 50 10 JKGE CCCn1nc(C)c2c1OC(N)=C(C#N)[C@@H]2c1ccc(OCc2ccc(C)cc2)c(OCC)c1 1865689077 JHTKPOURBZYONV-VWLOTQADSA-N 458.562 5.106 50 10 JKGE COc1ccc([C@H]2C(C#N)=C(N)Oc3c2c(-c2ccccc2)nn3Cc2ccc(C)cc2)c(OC)c1 1865707827 HDKIXYMAYODFHI-VWLOTQADSA-N 478.552 5.142 50 10 JKGE CCOC(=O)c1c(-c2ccc(C)cc2)csc1NC(=O)/C(C#N)=C/c1ccc(Br)cc1 1866129565 ZFEOLPMUCREFIN-LDADJPATSA-N 495.398 6.208 50 10 JKGE CSCC[C@H](NC(=O)C[C@@H](c1ccc(C)cc1)C(C)C)C(=O)Nc1ccc(SC#N)cc1 1866747359 YFSKVNCNMSDIMB-PKTZIBPZSA-N 469.676 5.575 50 10 JKGE CCC[C@H](NC(=O)[C@H](c1ccc(C(C)C)cc1)C(C)C)C(=O)Nc1ccc(SC#N)cc1 1866964664 YORHEJYIDILZMG-ZEQRLZLVSA-N 451.636 6.046 50 10 JKGE COc1ccc([C@H](C(=O)N[C@@H](CCSC)C(=O)Nc2ccc(SC#N)cc2)C2CCCC2)cc1 1867014869 ZUVQSPVXDFVFOT-BJKOFHAPSA-N 497.686 5.419 50 10 JKGE C[C@@H](NC(=O)COc1ccc(-c2ccc(C(C)(C)C)cc2)cc1)C(=O)Nc1ccc(SC#N)cc1 1867026681 MSVZZCWZUVNJDV-LJQANCHMSA-N 487.625 5.746 50 10 JKGE CCC[C@@H](NC(=O)c1cc(C2CC2)n2nc(C(C)(C)C)cc2n1)C(=O)Nc1ccc(SC#N)cc1 1867186829 NVZIJEWBQDRAEB-LJQANCHMSA-N 490.633 5.015 50 10 JKGE COCCc1nc(Nc2ccc(SC#N)cc2)cc(N2CCC(c3nc(C)c(C)s3)CC2)n1 1868253720 QXMSCGKYFSJLOB-UHFFFAOYSA-N 480.663 5.440 50 10 JKGE Cc1ccc(OCCC/C(O)=C(\C#N)c2nc(-c3ccc(Br)cc3)cs2)cc1 1872746450 IRZGCLDBBRCKJM-VZCXRCSSSA-N 455.377 6.533 50 10 JKGE COc1ccc(-c2csc(/C(C#N)=C(\O)Cc3cc(Cl)ccc3Cl)n2)c2ccccc12 1872758848 SYPPMEJWDOJGMN-QOCHGBHMSA-N 467.377 7.314 50 10 JKGE N#C/C(=C\c1ccccc1OCc1ccccc1Cl)c1nc(-c2cccc(Cl)c2)cs1 1872790206 RRMUFOHLSHYNRR-UDWIEESQSA-N 463.389 7.760 50 10 JKGE CC(C)(C)OC(=O)N[C@H](CBr)[C@@H]1CCN(C(=O)OC(C)(C)C)[C@H](C2CCC2)C1 1891090723 PLJDIWSQXLQHMG-ZACQAIPSSA-N 461.441 5.090 50 10 JKGE Brc1ccc([C@H](Br)c2cnsc2Br)c(Br)c1 1900417692 ANJWWUBUNUMDPN-VIFPVBQESA-N 490.840 5.915 50 10 JKGE Cc1c(Br)sc([C@H](Br)C[C@@H]2C[C@H]3CC[C@H]2C3)c1Br 1922944950 BFIHRCIFZMOXCV-XWLWVQCSSA-N 457.069 6.844 50 10 JKGE CCOC1CC(C[C@@H](Br)c2sc(Br)c(C)c2Br)C1 1922953922 IWNZCGYOGXSMNS-UDNWOFFPSA-N 461.057 6.223 50 10 JKGE CC(C)Cc1ccccc1[C@H](Cl)c1c(Br)sc(Br)c1Cl 1923049057 JYQUZGSIECEJKK-LBPRGKRZSA-N 457.058 7.453 50 10 JKGE CC(C)(C)OC1CC([C@@H](Cl)c2c(Br)sc(Br)c2Cl)C1 1923065835 HWQXJGFBMYCVKT-QXUHLLMWSA-N 451.051 6.800 50 10 JKGE FC1(F)CCCC[C@@H]1[C@@H](Cl)c1c(Br)sc(Br)c1Br 1924590847 MFMYSKAJXKPIIP-SVGQVSJJSA-N 487.429 7.141 50 10 JKGE O=C(NC[C@@H]1CCC2(CCC2)[C@@H]1Br)c1scc(Br)c1Br 1924858332 XUBQXZZCESUJNX-QPUJVOFHSA-N 486.067 5.347 50 10 JKGE CS(=O)(=O)c1sccc1[C@H](Br)c1c(Cl)sc(Br)c1Cl 1925547963 XLDSDEWXCBQQND-LURJTMIESA-N 485.071 5.767 50 10 JKGE FCCC1([C@H](Br)c2c(Br)sc(Br)c2Br)CC1 1990546558 ZIPLKGVZTHBQTI-SSDOTTSWSA-N 499.863 6.611 50 10 JKGE Brc1ccc(I)cc1[C@@H](Br)Cc1nccs1 1995155443 OUWZIYYKESQKEI-JTQLQIEISA-N 472.971 5.189 50 10 JKGE BrCc1c(Br)cccc1N1CCN(Cc2ccccc2)C2(CCC2)C1 2035794413 RGQLBXBDFILQED-UHFFFAOYSA-N 464.245 5.589 50 10 JKGE Cc1cc(C=C(C#N)c2nc(-c3ccc(Cl)cc3)cs2)c(C)n1-c1ccc(Br)cc1 2040465595 WTEYCQDNTZEOFQ-UHFFFAOYSA-N 494.845 7.698 50 10 JKGE CC[C@@H]1CCCCN1C(=O)CSC(Nc1ccccc1F)=C(C#N)c1nc2ccccc2s1 2040466435 BHBXRKZONOAYDG-QGZVFWFLSA-N 480.634 6.264 50 10 JKGE Cc1cc(Br)c(C)c([C@H](Br)CCC(F)(F)F)c1Br 2081071936 QPYPBLPYLLVDOX-MRVPVSSYSA-N 452.934 6.607 50 10 JKGE Cc1sc(Br)c([C@@H](Cl)c2ccc(F)cc2I)c1C 2082872483 BIRUAZXOOKMJLS-LBPRGKRZSA-N 459.549 6.199 50 10 JKGE C[C@@H](COc1c(Br)cc(Br)cc1CBr)P(C)(C)=O 2084154715 LFGKMTRTFJXWMF-QMMMGPOBSA-N 462.944 5.497 50 10 JKGE Brc1scc([C@@H](Br)c2ccc3c(c2)CCCC3)c1Br 2093947728 DWSBSHQOKKZQAP-ZDUSSCGKSA-N 465.048 6.636 50 10 JKGE Brc1cccc(C[C@@H]2C[C@@H]3CCCC[C@H]3[C@@H]2Br)c1Br 2095363835 UOXIRZKJYZXQOB-MUYACECFSA-N 451.040 6.344 50 10 JKGE Cc1cc(Cl)c(Br)cc1[C@@H](Br)c1cc(F)ccc1Br 2137642541 KBYOWWUQXZYOEJ-CQSZACIVSA-N 471.389 6.797 50 10 JKGE Fc1cc([C@H](Br)c2ccc(Br)cc2Br)c(F)cc1Cl 2138848942 CGKTWGOAEILTEZ-CYBMUJFWSA-N 475.352 6.628 50 10 JKGE Cc1c(Br)ccc([C@H](Cl)c2c(Br)nn(C)c2C)c1Br 2138865765 RHFBYDYVAXDKED-LBPRGKRZSA-N 471.418 5.653 50 10 JKGE Cc1c(F)ccc([C@H](Br)c2ccc(I)c(Cl)c2)c1C 2138891998 VRJDLHXVGDPTHF-OAHLLOKOSA-N 453.520 6.185 50 10 JKGE C[C@@H](Cl)c1nc2cc(Cl)c(Br)cc2n1C[C@@H]1CCN(Cc2ccccc2)C1 2168997889 CRINENJNRJSYGQ-GDBMZVCRSA-N 467.238 6.274 50 10 JKGE C[C@@H]1CN(Cc2ccccc2)C[C@H]1n1c(CCCl)nc2cc(Cl)c(Br)cc21 2169015304 KJXWXLXHVAQKLS-JLTOFOAXSA-N 467.238 5.927 50 10 JKGE Cc1ccc(Br)c(C[C@@H](CBr)Cc2ccc(Br)cc2)n1 2169024207 DHDZKMYXWOEUHY-ZDUSSCGKSA-N 462.023 5.711 50 10 JKGE CCc1ccc(S(=O)(=O)N(CCC(F)(F)F)Cc2ccccc2)cc1CBr 2179860330 QDFULMALFMZLCC-UHFFFAOYSA-N 464.347 5.287 50 10 JKGE CC(F)(F)c1ccc([C@H](Cl)c2c(Br)sc(Br)c2Cl)cc1 2184814684 OJYPDFNAPGHKRS-VIFPVBQESA-N 464.984 7.366 50 10 JKGE Cc1cccc(C[C@H](Br)c2c(C)c(Br)cc(C)c2Br)c1 2201073976 PIINBZDONKCAED-HNNXBMFYSA-N 461.035 6.816 50 10 JKGE FC1(F)CCC[C@@H](O[C@H](CI)c2ccc(Br)cc2)CC1 2207037007 GOVMPOAURUIHTH-ZIAGYGMSSA-N 459.112 5.910 50 10 JKGE Cc1csc([C@@H](Br)c2c(C)sc(Br)c2C)c1Br 2213630118 MTBSHJFAYOQWHK-JTQLQIEISA-N 459.066 6.744 50 10 JKGE Cl[C@@H](Cc1sc(Br)c(Br)c1Br)c1cccnc1 2216422192 UMAWXOFEYVRLLK-ZETCQYMHSA-N 460.416 5.953 50 10 JKGE O=C(Nc1ccc(Cl)cc1CBr)c1sccc1I 2223207471 KNPOQAAETOJHDH-UHFFFAOYSA-N 456.530 5.153 50 10 JKGE Cc1cc(Br)c([C@H](Br)[C@@H]2[C@@H]3CCCO[C@@H]32)c(C)c1Br 2227350356 HIWVBZVDQVTFRI-HLHNXRDNSA-N 453.012 5.689 50 10 JKGE CCOc1ccc([C@H](Br)c2cc(Br)c(Br)cc2F)cc1 2233975778 LQDIQMFPQJSCKF-HNNXBMFYSA-N 466.970 6.234 50 10 JKGE Cc1cc(Br)c([C@@H](Br)C(C)(C)CC(F)(F)F)c(C)c1Br 2235614913 MSDRDABZEKKJRC-GFCCVEGCSA-N 480.988 7.243 50 10 JKGE Cc1cc(Br)c([C@@H](Br)c2csnc2Br)c(C)c1F 2253505209 PIOUEGSJTGFWTJ-JTQLQIEISA-N 457.988 5.908 50 10 JKGE CC(C)(C)OC(=O)N1CCC[C@@](CI)(OC[C@@H]2CC(F)(F)C23CCC3)C1 2266111973 LDTACFPCVQOAJP-YOEHRIQHSA-N 485.353 5.033 50 10 JKGE COC1([C@@H](Br)c2ccc(Br)c(C)c2Br)CC(CF)C1 2266350358 RNSRISAZNQJZBM-IMXVTNBVSA-N 458.991 5.721 50 10 JKGE Fc1cc(Br)c(F)c(Br)c1[C@H](Br)C12CC(CCO1)C2 2272847440 NIMGPWAAZTVVFN-BZCBFNEHSA-N 460.938 5.495 50 10 JKGE Cc1cc(Br)c(C)c([C@@H](Br)CCC2CC(C)C2)c1Br 2274620571 OUIUWURRIWFRSX-LDUAJXOISA-N 453.056 7.091 50 10 JKGE C[C@H](c1ccncc1Br)[C@@H](Br)c1cc(F)c(Br)cc1Cl 2282906295 ABVUWJJZVLUEIU-NXSYQRQQSA-N 486.404 6.639 50 10 JKGE Cc1c(CBr)cccc1NC(=O)c1c(Br)cccc1Br 2283561505 GJPPUIIIDVCXRY-UHFFFAOYSA-N 461.979 5.667 50 10 JKGE COc1c([C@@H](Cl)c2c(F)cc(Br)c(F)c2Br)csc1Cl 2288355822 QJZUUYBFBSIPEM-SECBINFHSA-N 466.956 6.542 50 10 JKGE Fc1cc(Br)c(F)c(Br)c1[C@H](Br)[C@H]1C[C@@H]2CC[C@H](C1)O2 2288360565 XPMUALUEIQBWLY-HZLHGAJGSA-N 474.965 5.883 50 10 JKGE Fc1cc(Br)c(F)c(Br)c1[C@H](Br)[C@@H]1CC2CCC1CC2 2288374584 VBWOHJYYPKQTAM-KCPFVSANSA-N 472.993 6.752 50 10 JKGE Cc1cc(F)c(Cl)cc1[C@H](Br)Cc1cc(Br)cc(Br)c1 2295267251 KBSFZRZIZXNNKC-CYBMUJFWSA-N 485.416 6.991 50 10 JKGE COc1c(Br)cc(Cl)c(C)c1[C@@H](Br)c1scc(Cl)c1Cl 2295369194 BKSPKZKKGDGEPS-SNVBAGLBSA-N 479.448 7.272 50 10 JKGE CCn1c2ccccc2c2cc(C=C(C#N)C(=O)Nc3cc(C(F)(F)F)ccc3Cl)ccc21 2295669951 QCRWTTHIDXSGIT-UHFFFAOYSA-N 467.878 7.032 50 10 JKGE N#CC(C(=O)Nc1cccc2ccccc12)=C1S[C@H](Cc2ccccc2)C(=O)N1c1ccccc1 2296500289 ANACNVMZHFQITH-AREMUKBSSA-N 475.573 5.905 50 10 JKGE CC(C)=CCCC(C)=CCCC(C)=CC[P+](c1ccccc1)(c1ccccc1)c1ccccc1 2296604004 ZBPWLGOAEIBEQB-UHFFFAOYSA-N 467.657 8.400 50 10 JKGE Cc1ccsc1C=C(C#N)c1nc(-c2cc3cc(Br)ccc3oc2=O)cs1 2297328910 PPXAXGMDZNCEAE-UHFFFAOYSA-N 455.358 6.113 50 10 JKGE Cc1cc(C)cc(NC(SCc2ccccc2F)=C(C#N)S(=O)(=O)c2ccccc2)c1 2297349980 JIBFZXIARZBPAN-UHFFFAOYSA-N 452.576 5.954 50 10 JKGE COc1cc(Cl)c(C)cc1NC(=O)C(C#N)=Cc1sc(N2CCOCC2)nc1-c1ccccc1 2297381820 WYXZJQNIKASZML-UHFFFAOYSA-N 495.004 5.163 50 10 JKGE CCCCCCCCCCCCOc1ccc(C=C(C#N)C(=O)Nc2ccccc2F)cc1 2297488323 NBEWXRCHXPBGMV-UHFFFAOYSA-N 450.598 7.671 50 10 JKGE COc1cc(C=C(C#N)c2ccc(Cl)cc2)ccc1OC(=O)C=Cc1cccc([N+](=O)[O-])c1 2297497584 GTWFZCBOEPPKSF-UHFFFAOYSA-N 460.873 5.940 50 10 JKGE Cn1nc([C@H](Cl)c2ccc(OCc3ccccc3)cc2Br)cc1Br 2299510596 RHXPXBNWYBZXOV-GOSISDBHSA-N 470.592 5.852 50 10 JKGE Brc1cc(OCc2ccccc2)ccc1[C@H](Br)CC[C@H]1CCCO1 2299530216 KAIYCOIUAZFESH-VQIMIIECSA-N 454.202 6.423 50 10 JKGE Clc1ccc([C@@H](Cl)c2sc(Cl)cc2Br)c(I)c1 2301795464 FWCZVBMEWSYWLW-SNVBAGLBSA-N 482.395 6.750 50 10 JKGE COc1ccc(C=C(C#N)C(=O)Nc2cccc([N+](=O)[O-])c2)cc1OCc1c(Cl)cccc1Cl 2313675680 KDCYNXLMFCQONR-UHFFFAOYSA-N 498.322 6.035 50 10 JKGE CCCOc1ccccc1C=C(C#N)C(=O)Oc1ccc(-c2ccccc2)cc1Br 2314774220 YFMNMUKBQAVOTO-UHFFFAOYSA-N 462.343 6.417 50 10 JKGE Fc1c(Br)cc(Cl)c([C@H](Br)[C@@H]2[C@H]3CCO[C@H]32)c1Br 2315454374 WJXZWEOLTZBCPK-AXMNTDEYSA-N 463.366 5.475 50 10 JKGE Fc1c(Br)cc(Cl)c([C@@H](Br)c2ccc(Cl)s2)c1Br 2315458201 KIKXNZNGKIVQGM-VIFPVBQESA-N 497.836 7.203 50 10 JKGE CCCc1sc(Br)cc1[C@@H](Br)c1cc(C)c(Br)s1 2316172551 SATSTRYZYQXJDG-GFCCVEGCSA-N 473.093 7.080 50 10 JKGE COc1cc2nc(C(C#N)=Cc3cccc(OCc4ccccc4Cl)c3)nc(O)c2cc1OC 2331042694 XTBYSFNZHVWFFD-UHFFFAOYSA-N 473.916 5.649 50 10 JKGE COc1cc(C=C(C#N)c2ccccc2[N+](=O)[O-])ccc1OCc1c(Cl)ccc(Cl)c1Cl 2331066206 NIUAAHLRAOSLQC-UHFFFAOYSA-N 489.742 7.207 50 10 JKGE CCn1c(C(C#N)=Cc2ccc(OC)c(OCc3ccc(Cl)c(Cl)c3)c2)nc2ccccc21 2331071668 CRFFPAJCGKNNAT-UHFFFAOYSA-N 478.379 7.015 50 10 JKGE CCCCOc1ccc(C(O)=C(C#N)c2nc(-c3ccccc3Cl)cs2)cc1OCC 2331271253 BHNMLITZODQRNZ-UHFFFAOYSA-N 454.979 6.991 50 10 JKGE COc1ccccc1-c1csc(C(C#N)=C(O)c2ccc3c(c2)C(=O)N(c2ccc(F)cc2)C3=O)n1 2331282280 YHZOBTPVYXZYFN-UHFFFAOYSA-N 497.507 5.708 50 10 JKGE CC(C)(C)c1ccc(-c2csc(C(C#N)=C(O)c3c(Cl)ccc(Cl)c3Cl)n2)cc1 2331332825 RFXKFCYZMTUUPQ-UHFFFAOYSA-N 463.817 8.018 50 10 JKGE CC[C@H](C)[C@H](C(O)=C(C#N)c1nc(-c2ccc(C(C)C)cc2)cs1)N1C(=O)c2ccccc2C1=O 2331342943 HKXUIWHATIJYPK-BXKMTCNYSA-N 485.609 6.437 50 10 JKGE COc1cc(C)c(-c2csc(C(C#N)=C(O)CCCOc3c(C)cccc3C)n2)cc1C(C)C 2331356132 SDHAMGYBCPFWTK-UHFFFAOYSA-N 476.642 7.519 50 10 JKGE COC(=O)c1ccc(C=CC(O)=C(C#N)c2nc(-c3ccc(Oc4ccccc4)cc3)cs2)cc1 2331358993 NSTVZEWLRJUVIJ-UHFFFAOYSA-N 480.545 6.895 50 10 JKGE CCOc1ccc(OCC)c(-c2csc(C(C#N)=C(O)C34CC5CC(CC(C5)C3)C4)n2)c1 2331377065 DCOMINXEVYJRRU-UHFFFAOYSA-N 450.604 6.617 50 10 JKGE Cc1ccc(C(C)(C)C)cc1-c1csc(C(C#N)=C(O)c2ccc3c(c2)C(=O)N(CC(C)C)C3=O)n1 2331396398 UMUNRDIWLRVWNR-UHFFFAOYSA-N 499.636 6.618 50 10 JKGE CCCCCCCOc1ccc(-c2csc(C(C#N)=Cc3ccc(OCCCCC)cc3)n2)cc1 2331459715 NPWAQDYBUQSTHT-UHFFFAOYSA-N 488.697 8.792 50 10 JKGE Cc1ccc(F)c([C@H](Br)c2ccc(OCc3ccccc3)cc2Br)c1F 2336052004 XCRQZUJQAPAXDR-HXUWFJFHSA-N 482.162 7.099 50 10 JKGE C[C@@]1([C@H](Br)c2cc(Br)ccc2OCc2ccccc2)CCCCC1(F)F 2336055471 AFOJIWSFSKXCTG-UXHICEINSA-N 488.210 7.680 50 10 JKGE Fc1c(Br)cc(Cl)c([C@H](Br)[C@@]23CCOC[C@H]2C3)c1Br 2337086503 MXVONMUCTLTGEW-UAMTVZLOSA-N 477.393 5.867 50 10 JKGE Clc1ccc(CN2CC[C@@H]3C[C@@H](Br)CC[C@@H]32)cc1I 2337223958 SUFZNNCGXWQOEV-XUJVJEKNSA-N 454.577 5.083 50 10 JKGE FCCOc1ccc([C@H](Br)c2sc(Cl)cc2I)cc1 2338556508 KNAZNDWWIKYERS-LBPRGKRZSA-N 475.548 5.839 50 10 JKGE Cc1cc(Br)c(F)c(Br)c1[C@@H](Br)[C@]12CO[C@](C)(C1)C2 2339659725 WAJQTWAPWVMRRW-MGPQQGTHSA-N 456.975 5.664 50 10 JKGE Fc1ccc([C@H](Br)c2ccc(Cl)cc2I)c(F)c1Cl 2340064274 FEBXGDXABYEZEB-LLVKDONJSA-N 477.901 6.361 50 10 JKGE Clc1ccc(I)cc1CC1(CBr)CC2(CCCO2)C1 2352417765 NNIVNRQTWONPLK-UHFFFAOYSA-N 455.561 5.211 50 10 JKGE COc1ccnc(OCc2cc(Br)cc(Br)c2)c1CBr 2362210102 JFBJSAGGCBBNRO-UHFFFAOYSA-N 465.967 5.089 50 10 JKGE Fc1cc(Cl)cc([C@H](Cl)c2c(Cl)cc(Br)c(F)c2Br)c1 2362230630 ANMDFTSZAZRKJM-LBPRGKRZSA-N 465.346 7.125 50 10 JKGE Clc1ccc(CN2CCC3(CC[C@H](Br)C3)CC2)cc1I 2362369066 UMLYRAQLBBTZDT-ZDUSSCGKSA-N 468.604 5.474 50 10 JKGE Cc1cc(Br)c(F)c(Br)c1[C@H](Br)C12CCC(CC1)OC2 2365192895 FBFQBUOZNNWMTR-WOFGGDGOSA-N 471.002 6.054 50 10 JKGE FC1(F)[C@H]2C[C@H](CO[C@H](CI)c3cccc(Br)c3)C[C@H]21 2369977960 KBEXSYCIQXAARR-WBMYTEFPSA-N 457.096 5.233 50 10 JKGE Cc1cccc(C[C@@H](CCl)Cc2ccc(I)c(Br)c2)c1 2377328646 FDNIQFCRUVQKTL-OAHLLOKOSA-N 463.584 6.002 50 10 JKGE CC(C)c1ccc(OCC(=O)NNC(=O)c2sc3ccccc3c2Cl)c(Br)c1 12580399 GGZWGVYOWMTGIO-UHFFFAOYSA-N 481.799 5.281 50 10 JKGE Cc1ccc2nc(Cl)c(/C=C(/C#N)c3nc(-c4cc5ccccc5oc4=O)cs3)cc2c1 33391410 IHWIHCNFHFRTEW-ZDLGFXPLSA-N 455.926 6.491 50 10 JKGE COc1ccc(/C=C(\C#N)c2nc(CSc3ncc(C(F)(F)F)cc3Cl)n[nH]2)cc1 34721314 QEALUSMBTQAABM-WUXMJOGZSA-N 451.861 5.237 50 10 JKGE CCCCCCN1C(=O)C(C#N)=C(C)/C(=C\c2ccc(OCc3ccccc3)c(OC)c2)C1=O 38604166 GZJNLTSGRJIFBU-XQNSMLJCSA-N 458.558 5.447 50 10 JKGE CCCCOc1cccc(C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@@H]3c2ccc(OCCC)cc2)c1 38650701 HCTRHBQIZURQNC-MUUNZHRXSA-N 498.579 6.092 50 10 JKGE Cc1cccc(OCC(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@H]3c2cccc3ccccc23)c1C 38657880 LNRZWTZXVNCMEM-LJAQVGFWSA-N 476.532 5.659 50 10 JKGE Cc1cc(OCC(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@H]3c2cccc(F)c2)cc(C)c1Cl 38678179 IPWHRSABVAVBHW-DEOSSOPVSA-N 478.907 5.299 50 10 JKGE CCCOc1ccc(C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@@H]3c2cccc(OCC)c2)cc1 38684908 AIZWOIJQPZKFEL-AREMUKBSSA-N 470.525 5.311 50 10 JKGE CCCCCOc1ccc(C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@@H]3c2cccc(OCC)c2)cc1 38684913 QVSFTYBHKRDRTA-MUUNZHRXSA-N 498.579 6.092 50 10 JKGE Cc1cccc(Oc2nc3c(C)cccn3c(=O)c2/C=C(/C#N)C(=O)Nc2ccccc2Cl)c1 39858636 KGHMBRZPGXCNEH-JXAWBTAJSA-N 470.916 5.303 50 10 JKGE Cc1c(C(=O)Nc2nc3ccccc3s2)oc2c1/C(=N/NC(=O)c1cccc3ccccc13)CCC2 40813586 FFRUWHUFTNLKNM-NJZRLIGZSA-N 494.576 6.074 50 10 JKGE I/C=C/CCC[P+](c1ccccc1)(c1ccccc1)c1ccccc1 43967738 XVHAPCWCRSZEGF-YBFXNURJSA-N 457.315 5.709 50 10 JKGE COc1cc(/C=N\NC(=O)CC[C@H](O)c2ccccc2)ccc1OCc1ccc(Br)cc1 58887721 XPVUWTBECDUAQK-VPZZRGLESA-N 497.389 5.001 50 10 JKGE CCOc1ccc([C@H](O)CCC(=O)N/N=C\c2ccc(OCc3ccc(F)cc3)c(OCC)c2)cc1 58893254 LRAGGMLWAOTKFX-TZMKENEKSA-N 494.563 5.166 50 10 JKGE CCOc1ccc([C@H](O)CCC(=O)N/N=C\c2cc(C)n(-c3cccc(Cl)c3)c2C)cc1 58893380 GTAFVEVJWVWALI-YMCFUUGVSA-N 453.970 5.110 50 10 JKGE CCOc1cc(Br)c(/C=C(/C#N)C(=O)Nc2sc3c(c2C#N)CCCC3)cc1OC 59116629 SRJYOPSCHCWICM-ZSOIEALJSA-N 486.391 5.214 50 10 JKGE Cc1cc(C)c(OCC(=O)N/N=C/c2c3ccccc3cc3ccccc23)c(Br)c1 97136507 MGGAEKHXULHWPI-MZJWZYIUSA-N 461.359 5.901 50 10 JKGE Cl[C@H]1C[C@H](Oc2c(Br)cc(Br)cc2Br)C12CCCC2 97646569 VVNDJDFDPXZHJQ-RYUDHWBXSA-N 473.430 6.293 50 10 JKGE Fc1cc([C@H](Cl)c2cc(Br)ccc2Br)ccc1Br 109803154 JCSWBKPZKFTMDA-ZDUSSCGKSA-N 457.362 6.441 50 10 JKGE COc1cc(Br)c([C@@H](Cl)c2cccc(I)c2)cc1OC 109817431 QSZNIZCDSAASRA-HNNXBMFYSA-N 467.528 5.399 50 10 JKGE CCc1cc(CC)c([C@@H](Br)c2cc(Br)c(Br)s2)c(CC)c1 148087600 BJTUEMMIDDKHAF-INIZCTEOSA-N 495.118 7.445 50 10 JKGE COc1ccc([C@H](Cl)c2cc(Br)ccc2Br)c(Br)c1 161074334 VBRUPGZEPJYUOW-AWEZNQCLSA-N 469.398 6.311 50 10 JKGE Brc1ccc(C[C@H](Br)c2csc3c(Br)cccc23)cc1 163503982 ISIYOGCKVYJSPC-HNNXBMFYSA-N 475.043 7.105 50 10 JKGE CCOc1cc(/C=N\NC(=O)Cc2ccc(Cl)cc2)ccc1OCc1cccc(Cl)c1 169901774 QVAQFUNVEIARPY-DICXZTSXSA-N 457.357 5.664 50 10 JKGE COc1cc(/C=C2\C(=O)N(Cc3ccccc3)C(=O)C(C#N)=C2C)ccc1OCc1ccc(C)cc1 214283225 CFXVRKXBTWTJQF-MYYYXRDXSA-N 478.548 5.375 50 10 JKGE CCc1cccc(CC)c1NC(=O)/C(C#N)=C\Nc1ccc(I)cc1C 217206496 YHGSAOIJFTTZRO-LGMDPLHJSA-N 459.331 5.183 50 10 JKGE COc1ccc(C)cc1[C@@H](Cl)c1cc(I)ccc1Br 234851611 DLNKDQXHYVETNI-HNNXBMFYSA-N 451.529 5.699 50 10 JKGE Cl[C@H](c1ccccc1)c1nnc(-c2cc(Br)sc2Br)s1 236043324 OIOCFYQBGCHWAY-SNVBAGLBSA-N 450.608 6.120 50 10 JKGE Clc1ccc(I)c([C@@H](Br)c2ccc3c(c2)CCCC3)c1 236084047 VVEMIZIFMAJHQQ-KRWDZBQOSA-N 461.568 6.308 50 10 JKGE CCCCCCOc1ccccc1C(=O)NN=C(C)c1ccc(OCc2ccc(Cl)cc2)cc1 252594050 BOXCIVYBEYTVJZ-UHFFFAOYSA-N 479.020 7.032 50 10 JKGE CCCCOc1cccc(-c2cc(C(=O)NN=Cc3ccc(CC)s3)c3ccccc3n2)c1 252629258 UCHDEXBTXLFGQU-UHFFFAOYSA-N 457.599 6.469 50 10 JKGE COc1ccc(C(=O)Oc2ccc(C=NNC(=O)c3ccc(OCc4ccccc4)cc3)cc2)cc1 254296974 YVXLFUJQMLHKPN-UHFFFAOYSA-N 480.520 5.257 50 10 JKGE FC1(F)CCC[C@H](COc2c(Br)cc(Br)cc2CBr)C1 312574889 ZPBSLIFMXLTUFR-VIFPVBQESA-N 476.981 6.311 50 10 JKGE C[C@H]1C[C@@H](n2c(CCCl)nc3cc(I)ccc32)CCN1Cc1ccccc1 379612801 VMFNPCKSULMETF-LPHOPBHVSA-N 493.820 5.648 50 10 JKGE Cc1cccc(CCOc2c(Br)cc(Br)cc2CBr)n1 399789448 KMENJZMCSQOILJ-UHFFFAOYSA-N 463.995 5.431 50 10 JKGE Cc1cc(Br)c([C@H](Cl)c2cscc2Br)cc1Br 404829142 HREYUFNIDHUVMT-LBPRGKRZSA-N 459.428 6.672 50 10 JKGE COc1cc(C=NNC(=O)c2ccccc2F)cc(Br)c1OCc1ccc(F)cc1 1084187663 VZHSJVBFUFVMFF-UHFFFAOYSA-N 475.289 5.079 50 10 JKGE N#C/C(=C/c1cn(Cc2ccccc2Cl)c2ccccc12)C(=O)NCc1ccc2c(c1)OCO2 1084346118 SHFODQOXZWWSCJ-NDENLUEZSA-N 469.928 5.295 50 10 JKGE CCn1c2ccccc2c2cc(C=NNC(=O)[C@H](C)Oc3ccc(Cl)cc3Cl)ccc21 1084541726 FEBDMLOJMKZGCJ-HNNXBMFYSA-N 454.357 6.039 50 10 JKGE O=C(Nc1ncccc1OCC(=O)c1ccc(-c2ccccc2)cc1)Oc1ccc([N+](=O)[O-])cc1 1858695355 OMGZXWDJQAMOTF-UHFFFAOYSA-N 469.453 5.529 50 10 JKGE N#CC1=C(N)Oc2c(c(C(F)(F)F)nn2-c2cccc3ccccc23)[C@@H]1c1cccc(Cl)c1 1865683551 MLGHTWPPLOKMCM-LJQANCHMSA-N 466.850 5.916 50 10 JKGE CCCOc1ccc([C@H]2C(C#N)=C(N)Oc3c2c(CCC)nn3Cc2cccc(F)c2)cc1OCC 1865687883 CLDYMPSWMKERSH-VWLOTQADSA-N 490.579 5.429 50 10 JKGE CCCc1nn(CC)c2c1[C@H](c1ccc(OCc3ccc(C)cc3)c(OCC)c1)C(C#N)=C(N)O2 1865688286 ONIOIVHXWLITKD-RUZDIDTESA-N 472.589 5.360 50 10 JKGE COc1ccc(-c2nn(-c3ccc(Cl)cc3)c3c2[C@@H](c2ccccc2[N+](=O)[O-])C(C#N)=C(N)O3)cc1 1865710165 PZTRPFUNNYUTSJ-QFIPXVFZSA-N 499.914 5.328 50 10 JKGE CCCCOc1ccc(/C(O)=C(\C#N)c2nc(-c3ccccc3Cl)cs2)cc1OCC 1872745752 BHNMLITZODQRNZ-NKFKGCMQSA-N 454.979 6.991 50 10 JKGE CCCOc1ccc(-c2csc(/C(C#N)=C(\O)[C@H]3CC(=O)N(Cc4ccccc4)C3)n2)cc1 1872749572 XTTBQEAHKRRJAK-RCBZZLCRSA-N 459.571 5.440 50 10 JKGE CC(C)(C)c1ccc(C(=O)NC/C(O)=C(\C#N)c2nc(-c3ccc4c(c3)OCCO4)cs2)cc1 1872751073 SPOMJNPCDCSFSG-VZCXRCSSSA-N 475.570 5.101 50 10 JKGE COc1c(Cl)cc(Cl)cc1-c1csc(/C(C#N)=C(O)/C=C/c2ccc(C(C)C)cc2)n1 1872754122 DFOYIHFJDCGMDV-UTWNGNFCSA-N 471.409 7.755 50 10 JKGE Cc1ccc(C(C)(C)C)cc1-c1csc(/C(C#N)=C(\O)COc2cc(C)c(Cl)c(C)c2)n1 1872755930 MBZNJWLXNPORGA-LNVKXUELSA-N 467.034 7.558 50 10 JKGE COc1ccc(OC)c(-c2csc(/C(C#N)=C/c3ccc(OCc4ccccc4C)cc3)n2)c1 1872791515 JZVRCQUZTRLJAF-HYARGMPZSA-N 468.578 6.779 50 10 JKGE COc1ccc(Cl)cc1-c1csc(/C(C#N)=C/c2ccc(OC(=O)c3ccccc3)cc2)n1 1872795297 XYMRXNDDAOELJO-CPNJWEJPSA-N 472.953 6.755 50 10 JKGE CCCN[C@@H](c1cc(Br)c(C)cc1Br)[C@H]1C[C@H](Br)C1 1887751961 MRMRGBQGBBKZCS-UEKVPHQBSA-N 454.044 5.734 50 10 JKGE C[C@@H](CCBr)N(Cc1ccccc1)C(=O)c1ccc(OCc2ccccc2)cc1 1915091305 VPRACVXRAJDWMP-FQEVSTJZSA-N 452.392 6.082 50 10 JKGE Cc1cc([C@H](Br)c2cc3nc(O)[nH]c3cc2Br)oc1Br 1917613581 XJKIJKKVCKQVHG-LLVKDONJSA-N 464.939 5.179 50 10 JKGE COc1ccccc1[C@H](Cl)c1c(Br)sc(Br)c1Br 1924586013 SQJHLGKTQCHNPZ-JTQLQIEISA-N 475.427 6.372 50 10 JKGE Fc1ccc([C@@H](Cl)c2c(Br)sc(Br)c2Br)c(Cl)c1 1924594033 KEGNSXSGSGDIER-SECBINFHSA-N 497.836 7.156 50 10 JKGE Fc1ccc([C@H](Cl)c2c(Br)sc(Br)c2Br)c(F)c1F 1924600776 UCTQHUXTMCMSBY-ZETCQYMHSA-N 499.371 6.781 50 10 JKGE Cl[C@H](C[C@@H]1C[C@H]2C[C@H]2C1)c1c(Br)sc(Br)c1Br 1950081224 QWKIQLLUNWCXHI-ULAWRXDQSA-N 463.460 6.752 50 10 JKGE Cc1cc([C@H](Cl)c2c(Br)sc(Br)c2Br)sc1Cl 2000997454 GJGZVIQLNRTARP-ZETCQYMHSA-N 499.902 7.387 50 10 JKGE COc1ccc(C(C#N)=Cc2cn(-c3ccccc3)nc2-c2ccc(C3CCCCC3)cc2)cc1OC 2040744317 HISXCSLIGRMNHN-UHFFFAOYSA-N 489.619 7.668 50 10 JKGE Cc1c(Br)sc([C@@H](Br)[C@@H]2COCCC2(F)F)c1Br 2047876502 WKDZPCAXQBRNDX-XPUUQOCRSA-N 468.983 5.689 50 10 JKGE CCCCOc1ccc(-c2nn(-c3ccccc3)cc2C=C(C#N)c2nc3ccccc3[nH]2)cc1F 2053612910 SILQCELJFJRUSZ-UHFFFAOYSA-N 477.543 6.798 50 10 JKGE Cc1cc(Cl)c(Br)cc1[C@H](Cl)c1scc(Br)c1Br 2082387439 MIWQPXQDHIDPLE-NSHDSACASA-N 493.873 7.326 50 10 JKGE CC(C)(C)OC(=O)N1CCC[C@]2(CCC[C@@H](CI)O2)C12CCCCC2 2083791635 QXZKAPFNEBEHEX-OXJNMPFZSA-N 463.400 5.463 50 10 JKGE Cc1ccc([C@@H](Cl)c2c(Br)cccc2Br)c(C)c1Br 2094094713 FIBURLFOCCXTKA-OAHLLOKOSA-N 467.426 6.919 50 10 JKGE Brc1ccccc1C[C@H](Br)c1cc(C2CC2)c(Br)s1 2094668493 ICVDBWCCLCKYFZ-ZDUSSCGKSA-N 465.048 6.829 50 10 JKGE C[C@@H]1CC[C@@H](CCOc2c(Br)cc(Br)cc2CBr)O1 2104839458 ZVUVSNOCDCIUPU-SKDRFNHKSA-N 457.000 5.443 50 10 JKGE Clc1nc(Cl)n([C@@H]2CN(Cc3ccccc3)[C@]3(CCCOC3)C2)c1CBr 2118820829 NQNWHHDBOZPEPP-HNAYVOBHSA-N 459.215 5.081 50 10 JKGE ClCCOCCc1cc(-c2ccc(OCc3ccccc3)c(OCc3ccccc3)c2)no1 2134721322 AJXGMJISMRXUJV-UHFFFAOYSA-N 463.961 6.298 50 10 JKGE Clc1c(Br)sc(Br)c1[C@H](Br)[C@@H]1C[C@@H]1C1CCOCC1 2135277639 NZKHQRUMRCPWJD-NQMVMOMDSA-N 493.486 6.425 50 10 JKGE ClCc1ccc(Br)c(Cl)c1N1CC[C@H]2CCN(Cc3ccccc3)C[C@H]2C1 2154374936 AYDKCHUBRWVHQG-MJGOQNOKSA-N 468.266 6.190 50 10 JKGE C[C@H]1CC[C@H](CCC(CBr)(CBr)c2cccc(Br)c2)O1 2161109059 BBFXNSYTHAQLOH-SWLSCSKDSA-N 469.055 5.824 50 10 JKGE FC(F)(F)[C@@]1(CBr)CCN(Cc2c(Br)cccc2Br)C1 2167674696 LHUQPEYGEBPXAP-GFCCVEGCSA-N 479.960 5.361 50 10 JKGE O=C(c1csc(Br)c1Br)N1CC[C@](CBr)(C(F)(F)F)C1 2167692655 XLBSVZKKYSSEIM-SNVBAGLBSA-N 499.972 5.063 50 10 JKGE COc1ccc(C[C@H](Br)c2cc(Br)ccc2Br)cc1F 2168405409 OFGNGUIRKRGHBC-ZDUSSCGKSA-N 466.970 6.038 50 10 JKGE CC1(C)C[C@](C)(CBr)CN1C(=O)c1ccc(Br)cc1Br 2199537509 CGKKIIIVZDHATJ-OAHLLOKOSA-N 468.027 5.237 50 10 JKGE Cc1cc(Br)c(C)c([C@@H](Cl)c2cc(Br)ccc2F)c1Br 2201074557 AKTKQPKYOWRAJE-HNNXBMFYSA-N 485.416 7.058 50 10 JKGE Fc1cc([C@@H](Br)c2c(Br)cc(F)c(Cl)c2F)ccc1Br 2201617813 GAJZQFXOUPDVQZ-LLVKDONJSA-N 493.342 6.767 50 10 JKGE CC1(C)CC(c2sc(Br)c(Br)c2Br)=C[C@H](Cl)C1 2216419585 KVSPKRFOFCLIJL-ZETCQYMHSA-N 463.460 6.846 50 10 JKGE Cc1c(Br)sc([C@H](Br)c2ccc(Br)cc2Cl)c1C 2218790421 MDBLNVSBMQIYHO-LLVKDONJSA-N 473.455 7.028 50 10 JKGE Cc1c(Br)csc1[C@H](Br)c1ccc(F)c(Br)c1F 2219004625 GEFGMGGURYHEFH-SECBINFHSA-N 460.963 6.344 50 10 JKGE BrCc1ccc(N2[C@H]3CCC[C@@H]2CN(Cc2ccccc2)C3)cc1Br 2219192720 SNIPYQVUNFQKPI-BGYRXZFFSA-N 464.245 5.587 50 10 JKGE BrCc1c(Br)cccc1N1C[C@@H]2CCC[C@H](C1)N2Cc1ccccc1 2219218545 ILBPTABFUJCEMX-HDICACEKSA-N 464.245 5.587 50 10 JKGE Clc1cc(Br)ccc1C[C@H](Cl)c1cccc(I)c1 2221693446 PVAQRYDNTPFGGA-ZDUSSCGKSA-N 455.948 6.230 50 10 JKGE C[C@H](Cl)c1nc2cc(Br)c(Br)cc2n1[C@@H]1CC[C@H]1OCc1ccccc1 2225697643 SERAXMDFVQNFSE-OEPMTFCVSA-N 498.646 6.781 50 10 JKGE Cc1cccc([C@@H](Br)Cc2ccc(Br)cc2Cl)c1Br 2229148615 DUVNWBPHEKNBAN-ZDUSSCGKSA-N 467.426 6.852 50 10 JKGE Cc1c(Br)sc([C@H](Br)Cc2ccc(Br)cc2Cl)c1C 2229150219 FNFQYGGJGVMAFX-LLVKDONJSA-N 487.482 7.222 50 10 JKGE CC1([C@@H](Br)c2c(Br)cc(Cl)c(Cl)c2Cl)CCCCCC1 2232512344 NJXHAXDJSQXOSO-AWEZNQCLSA-N 463.468 8.206 50 10 JKGE Cc1cc([C@H](Br)c2c(Br)cc(C)c(Cl)c2C)ccc1Br 2232530201 PUOZWSTXHRKHJM-HNNXBMFYSA-N 481.453 7.275 50 10 JKGE ClCCc1nc2cc(Br)c(Br)cc2n1C[C@H]1C[C@@H](Br)C1 2234073317 JLIXMXJFMYPSRU-DTORHVGOSA-N 485.445 5.516 50 10 JKGE Clc1c(Br)sc(Br)c1[C@H](Br)[C@@H]1CCC12CCC2 2247331018 YOYATCJDETZKJI-POYBYMJQSA-N 463.460 6.943 50 10 JKGE CCc1cc([C@@H](Br)c2scc(Br)c2C)sc1Br 2248001947 CQLGMSJDPCAKBT-SNVBAGLBSA-N 459.066 6.690 50 10 JKGE CCCCc1ccc([C@@H](Br)c2scc(Br)c2Br)s1 2253413394 VDGWUJHULJBYFW-GFCCVEGCSA-N 473.093 7.162 50 10 JKGE FC1(F)C[C@@H]([C@H](Br)c2cc(Br)sc2Br)C12CCC2 2254867383 PINAKTHDIMGVOH-IONNQARKSA-N 464.995 6.535 50 10 JKGE Fc1cc(Br)c([C@@H](Br)c2cocc2Br)c(F)c1Cl 2258119824 YLGYUQOLIIYLTF-VIFPVBQESA-N 465.313 6.221 50 10 JKGE Fc1cc(Br)c(F)c(Br)c1[C@@H](Cl)c1ccoc1Br 2260072610 AXDYALGTTAQVQP-VIFPVBQESA-N 465.313 6.174 50 10 JKGE COCC1([C@@H](Cl)c2c(Br)sc(Br)c2Cl)CC(F)(F)C1 2278182086 BSXZYOYDMLBFKQ-ZETCQYMHSA-N 458.977 6.268 50 10 JKGE CC(C)[C@@H]1CCC[C@H]1[C@@H](Br)c1c(F)cc(Br)c(F)c1Br 2288483643 MVVRRUPXSVEDOG-IGJMFERPSA-N 475.009 6.998 50 10 JKGE Fc1cc(Br)c(F)c(Br)c1[C@@H](Br)c1cccc(Cl)c1F 2288494316 FGCOUCLHADODSJ-JTQLQIEISA-N 493.342 6.767 50 10 JKGE CCOc1cc(C=C(C#N)C(=O)NCc2ccccc2)ccc1OCc1cccc2ccccc12 2294193301 BMCPNVQQCDBJNY-UHFFFAOYSA-N 462.549 6.041 50 10 JKGE FC1(F)CCC[C@@H]2[C@H]([C@H](Br)Cc3cc(Br)cc(Br)c3)[C@@H]21 2295332552 YHLPLMIRKQLJGW-AAVRWANBSA-N 472.993 6.199 50 10 JKGE Cc1cc(Br)c(F)c([C@@H](Cl)Cc2cc(Br)cc(Br)c2)c1 2295335350 JDMFLKUTQCUXMN-AWEZNQCLSA-N 485.416 6.944 50 10 JKGE COc1ccc(NC(=O)C(C#N)=Cc2ccc(OC)c(COc3cccc(C(F)(F)F)c3)c2)cc1 2295672228 DDMFNKGLXUDLAI-UHFFFAOYSA-N 482.458 5.847 50 10 JKGE COc1ccc(C=C(C#N)C(=O)NC(C)(C)CC(C)(C)C)cc1COc1ccc([N+](=O)[O-])cc1 2295680584 VJCXASJGLHNINQ-UHFFFAOYSA-N 465.550 5.420 50 10 JKGE Cc1cccc(NC=C(C#N)c2nc(-c3cc4cc(Br)ccc4oc3=O)cs2)c1C 2295891351 CUADWWJSFDFEHF-UHFFFAOYSA-N 478.371 6.272 50 10 JKGE CC(=O)Oc1ccc(C=C(C#N)c2nc(-c3ccc(Cl)cc3)cs2)cc1Br 2296801616 WIFVOZRJSIVWIM-UHFFFAOYSA-N 459.752 6.215 50 10 JKGE C[C@@H](NC(=O)C(C#N)=Cc1ccc(OCc2ccccc2)c(OCc2ccccc2)c1)c1ccccc1 2297381789 SBQWUNRGKBLXGZ-XMMPIXPASA-N 488.587 6.629 50 10 JKGE Cc1ccc(NC(SCc2cccc([N+](=O)[O-])c2)=C(C#N)C(=O)NCc2ccco2)cc1C 2297414572 MNSRQQFFTRVHEB-UHFFFAOYSA-N 462.531 5.202 50 10 JKGE CCOc1ccc(NC(=O)C(C#N)=C2S[C@H](Cc3ccccc3)C(=O)N2c2ccccc2)cc1 2297462697 OZBRAQAPNFLXBG-XMMPIXPASA-N 469.566 5.150 50 10 JKGE COc1ccc(C[C@H]2SC(=C(C#N)C(=O)Nc3ccc(C)cc3)N(c3ccc(C)cc3)C2=O)cc1 2297470707 XMHQDTLUGVZDET-RUZDIDTESA-N 483.593 5.377 50 10 JKGE FC(F)(F)CCC[C@H](Br)c1cc(Br)ccc1OCc1ccccc1 2299498337 SYNDWWMYKJVYKY-INIZCTEOSA-N 466.135 7.197 50 10 JKGE C[C@@H]1COCC[C@@H]1[C@H](Br)c1ccc(OCc2ccccc2)cc1Br 2299529584 DEGLPKOBZHJVBP-LIVBEALHSA-N 454.202 6.137 50 10 JKGE C[C@H](CCBr)N(Cc1ccccc1)C(=O)c1cc(F)c(Br)cc1O 2301384339 JYTUKQCMGZTVCN-GFCCVEGCSA-N 459.153 5.110 50 10 JKGE Brc1ccc(I)cc1CO[C@H]1CCCC[C@H]1Br 2302814077 MQCYPTUPLWFGBF-OLZOCXBDSA-N 473.974 5.276 50 10 JKGE COc1cc(C=C(C#N)C(=O)Nc2cccc(Cl)c2)ccc1OCc1cccc(Cl)c1 2313630696 DYPGWWUMCALZCY-UHFFFAOYSA-N 453.325 6.127 50 10 JKGE COc1ccc(-c2nn(-c3ccccc3)cc2C=C(C#N)c2nc(O)c3ccccc3n2)cc1C 2314433736 RSCAWLQCYXGBHB-UHFFFAOYSA-N 459.509 5.569 50 10 JKGE N#CC(=Cc1ccc(-c2c(Cl)cccc2Cl)o1)C(=O)Nc1sc2c(c1C(N)=O)CCCC2 2314482851 XTFPBKHXVVLBGD-UHFFFAOYSA-N 486.380 5.838 50 10 JKGE Cc1ccc(NC(=O)C(C#N)=C2S[C@@H](Cc3ccc(F)cc3)C(=O)N2c2ccc(C)c(C)c2)cc1 2314592395 SKNFHCMWOHGSGL-VWLOTQADSA-N 485.584 5.816 50 10 JKGE CCOc1ccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)C=Cc4ccc(C(C)(C)C)cc4)ccc32)cc1 2314640734 UFZOYOIRUZOYCB-GDLZYMKVSA-N 494.591 6.220 50 10 JKGE Fc1c(Br)cc(Cl)c([C@H](Cl)c2ccoc2Br)c1Br 2315439659 HVTDETVZZHHBRC-SECBINFHSA-N 481.768 6.688 50 10 JKGE CC(C)CC1([C@@H](Br)c2sc(Cl)cc2I)CCCC1 2316769085 GLNHTIXASKWHTB-ZDUSSCGKSA-N 461.634 7.049 50 10 JKGE Cc1cc(Br)c(F)c(Br)c1[C@H](Br)[C@@H]1[C@H](C)C1(F)F 2317400467 NJQLRPWXWPAFSH-HQLVHBAOSA-N 450.918 5.996 50 10 JKGE Brc1ccc(OCc2ccccc2)c([C@H](Br)C[C@H]2CC[C@H]2C2CC2)c1 2319482685 JGPLOAIJFHPEMO-SLYNCCJLSA-N 464.241 7.290 50 10 JKGE O=C(c1scc(Br)c1Br)N1[C@H]2CCC[C@H]2C[C@@H]1CBr 2329617485 VUVZSVQSEDGNAW-XKSSXDPKSA-N 472.040 5.051 50 10 JKGE COc1ccc(C=C(C#N)c2cc3c(cc2[N+](=O)[O-])OCCO3)cc1OCc1ccc(C)cc1 2331051379 GWDVPGKJDUGZDV-UHFFFAOYSA-N 458.470 5.326 50 10 JKGE COc1ccc(-c2csc(C(C#N)=C(O)c3c(Cl)ccc(Cl)c3Cl)n2)cc1OC 2331242705 CGTAZXTYNYUXHD-UHFFFAOYSA-N 467.761 6.737 50 10 JKGE COc1ccc(C=C(C(O)=C(C#N)c2nc(-c3ccc(OC)c(C)c3C)cs2)c2ccccc2)cc1 2331362163 DCSINAZVMLSKQA-UHFFFAOYSA-N 494.616 7.478 50 10 JKGE COc1ccc(C=CC(O)=C(C#N)c2nc(-c3cc(Cl)ccc3OC)cs2)c(OC)c1 2331410982 ZSVUGFKSVJNCIA-UHFFFAOYSA-N 454.935 5.995 50 10 JKGE N#CC(=Cc1ccc(OCc2ccccc2)cc1)c1nc(-c2ccc(Cl)c(Cl)c2)cs1 2331443815 YWXKMYUJJVEDBP-UHFFFAOYSA-N 463.389 7.760 50 10 JKGE Cn1cc(Br)c([C@H](Br)c2c(F)cc(Cl)c(Br)c2Cl)n1 2335371018 HWDGPGSYYRGTQP-SECBINFHSA-N 495.799 5.875 50 10 JKGE CC1([C@H](Br)c2cc(Br)ccc2OCc2ccccc2)CC(C(F)(F)F)C1 2336054903 VWDBHQGYDIUVMD-PJOPYLDSSA-N 492.173 7.443 50 10 JKGE CC1([C@@H](Br)c2cc(Br)ccc2OCc2ccccc2)CC(C(F)(F)F)C1 2336054904 VWDBHQGYDIUVMD-WHDUELSGSA-N 492.173 7.443 50 10 JKGE FC1(F)[C@H]2C[C@H]([C@H](Br)c3ccc(OCc4ccccc4)cc3Br)CC[C@H]21 2336077797 KYZRGVNXKKBFQG-QKUWSGOFSA-N 486.194 7.146 50 10 JKGE CC1(C)C[C@@H]1CC[C@H](Br)c1c(Cl)cc(Br)c(F)c1Br 2337082008 GJWQQQWUBAKGHK-YUMQZZPRSA-N 477.437 7.266 50 10 JKGE C[C@@H](c1ccncc1F)[C@@H](Br)c1ccc(Cl)c(I)c1 2344715124 YOKPKPMRLDXKQN-RMLUDKJBSA-N 454.508 5.718 50 10 JKGE FC1(F)[C@H]2C[C@@](CCl)(Cc3ccc(I)c(Br)c3)C[C@H]21 2349865897 WJZJPTRTOIJJFH-DDFAGTSDSA-N 461.515 5.497 50 10 JKGE Fc1c(Br)cc(Cl)c([C@@H](Br)[C@@H]2CC[C@H]3C[C@H]3CC2)c1Br 2362226283 UMHIIZCOKXZDNQ-ZZIUEJKTSA-N 489.448 7.266 50 10 JKGE CCO[C@@H]1CC[C@H]([C@@H](Br)c2c(Cl)cc(Br)c(F)c2Br)C1 2362235576 MWANPZPBUKZPBS-JOAULVNJSA-N 493.436 6.645 50 10 JKGE CC[C@@H](C[C@H](Br)c1c(Cl)cc(Br)c(F)c1Br)C(C)(C)C 2362246492 AJWVSGUCFMCPBU-IUCAKERBSA-N 493.480 7.903 50 10 JKGE Clc1ccc(CN2C[C@@H](Br)CC23CCCCC3)cc1I 2362376096 QPSVNGHSLILMRU-ZDUSSCGKSA-N 468.604 5.617 50 10 JKGE Cc1nc(Br)c([C@H](Cl)c2c(Br)cc(Cl)c(Cl)c2Cl)n1C 2362443118 VZFNSBVSKFPYCV-SNVBAGLBSA-N 481.830 6.542 50 10 JKGE Cc1c([C@@H](Cl)c2ccc(Br)c(C)c2Br)ccc(Cl)c1Cl 2364531672 BFBPSNQMMIRZFG-OAHLLOKOSA-N 457.420 7.463 50 10 JKGE Cc1ccc(Cl)cc1[C@H](Br)c1c(C)cc(Br)c(F)c1Br 2365185026 HAIXHSBDFNZCCZ-ZDUSSCGKSA-N 485.416 7.105 50 10 JKGE Cc1cc(Br)c(F)c(Br)c1[C@@H](Cl)c1cc(Cl)cc(Cl)c1 2365223614 OZJJKTIDCFIFTD-ZDUSSCGKSA-N 461.383 7.294 50 10 JKGE Clc1cc(Cl)cc(CC[C@H](Cl)c2ccc(Cl)c(I)c2)c1 2366893684 XKLBEORHZMMKEC-ZDUSSCGKSA-N 459.969 7.164 50 10 JKGE Cc1cc(Br)c(C)c([C@H](Br)C23CC(C[C@H](C)O2)C3)c1Br 2368126904 WMZDTIXMRHZYIT-HVTJSPFTSA-N 467.039 6.222 50 10 JKGE CC(C)(C)c1ccc([C@H]2C[C@H]2C(=O)N/N=C/c2cc(Br)c(Br)o2)cc1 9948693 QLEQWJISSOLVRA-NNTIQHDQSA-N 468.189 5.356 50 10 JKGE CCCCC/C(=N/NC(=O)COc1c(C)cc(Br)cc1Br)c1ccccc1 12483319 VBOHEHREFGVMAV-CLCOLTQESA-N 496.243 6.000 50 10 JKGE Cc1ccc(N[C@@H](C)C(=O)N/N=C/c2ccccc2OCc2ccc(Br)cc2)cc1 27528088 CKAQJKIPBYANPW-CMPFEXHJSA-N 466.379 5.287 50 10 JKGE CCNC(=O)/C(C#N)=C\c1cn(-c2ccccc2)nc1-c1ccc(OCc2ccc(C)cc2)cc1 33378968 AQEULUFTXLNFJK-ULJHMMPZSA-N 462.553 5.470 50 10 JKGE COc1ccc(NC(=O)/C(C#N)=C\c2cn(-c3ccccc3)nc2-c2cc3cccc(OC)c3o2)cc1 33515879 LCENGBOLXOKBQW-HKWRFOASSA-N 490.519 5.848 50 10 JKGE COc1ccc(/C=C(/C#N)C(=O)Nc2ncc(Cc3cc(Cl)ccc3Cl)s2)cc1OC 33594654 KNBVKXGGWJYNTO-CHHVJCJISA-N 474.369 5.604 50 10 JKGE COc1ccc(/C=N/NC(=O)[C@H]2C[C@@H]2c2ccc(C(C)(C)C)cc2)cc1CSCc1ccco1 33959869 BTWZRGKWCWWHCQ-LWBORGQKSA-N 476.642 6.273 50 10 JKGE Cc1c(NC(=O)/C(C#N)=C\C2=Cc3ccccc3O[C@H]2c2ccccc2)c(=O)n(-c2ccccc2)n1C 34981683 XRQMBCQVPQFWEB-OKGYKCPCSA-N 488.547 5.090 50 10 JKGE CCOc1ccc(-c2nn(-c3ccccc3)cc2/C=C2/C(=O)N(CC(C)C)C(=O)C(C#N)=C2C)c(C)c1 38605502 TYVDWWMDUNPMKD-CVKSISIWSA-N 494.595 5.495 50 10 JKGE N#CC1=C(N)Oc2cc(OC(=O)c3ccc(Cl)cc3)ccc2[C@H]1c1ccccc1Br 38678505 URUAPEVANJGHMB-OAQYLSRUSA-N 481.733 5.540 50 10 JKGE Cc1ccc(OCC(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@H]3c2c(F)cccc2Cl)cc1C 38680532 XHWXLAMWKKQFKE-DEOSSOPVSA-N 478.907 5.299 50 10 JKGE Cc1ccc(S(=O)(=O)/C(C#N)=C/c2cn(-c3ccccc3)nc2-c2ccc(Cl)cc2)cc1C 39850271 MDNNKRVSSVWFKV-MFKUBSTISA-N 473.985 6.148 50 10 JKGE COc1ccccc1[C@@H]1C(C#N)=C(N)Oc2cc(OC(=O)c3oc4ccccc4c3C)ccc21 40530322 DEIUEIRNESQCMY-DEOSSOPVSA-N 452.466 5.187 50 10 JKGE Cc1c(C(=O)Nc2cccc3ccccc23)oc2c1/C(=N/NC(=O)c1cccc(Cl)c1)CCC2 40813330 HAKPLPXHVSCYLO-JBASAIQMSA-N 471.944 6.117 50 10 JKGE C[C@@H](Oc1ccc(Cl)cc1Cl)C(=O)N/N=C/c1ccccc1OCc1ccc(C(=O)O)cc1 59156482 JKLJUVJUAJPATN-QJXMJWHHSA-N 487.339 5.188 50 10 JKGE Cc1ccc(-c2ccccc2)n1-c1ccc(C(=O)N/N=C/c2cc(C)n(-c3ccccc3F)c2C)cc1 59680181 AWODXXBLWXIWNS-FMFFXOCNSA-N 490.582 6.763 50 10 JKGE Fc1cc(Br)cc([C@@H](Br)c2cc(Cl)c(Br)cc2F)c1 97895938 UKCMIYUQPSIPQT-CYBMUJFWSA-N 475.352 6.628 50 10 JKGE COc1ccc(Br)cc1[C@@H](Br)c1ccc(Br)c(F)c1 104038112 CMDZFFBVMKYFJD-AWEZNQCLSA-N 452.943 5.844 50 10 JKGE COc1ccc(Br)cc1[C@@H](Br)c1cc(Br)ccc1F 104045005 WVAKPTJJHHIWPY-AWEZNQCLSA-N 452.943 5.844 50 10 JKGE COc1ccc([C@@H](Cl)c2cc(Br)sc2Br)cc1Br 109825160 YRQIFRZPFVCAGM-LLVKDONJSA-N 475.427 6.372 50 10 JKGE Fc1ccc(Br)c([C@@H](Cl)c2cc(Br)sc2Br)c1 109825166 QGYZJIPRTJTFBH-SNVBAGLBSA-N 463.391 6.503 50 10 JKGE COc1cc(Br)c([C@@H](Br)c2ccccc2Br)cc1OC 109860415 QGEKHBPOOJGMSR-HNNXBMFYSA-N 464.979 5.713 50 10 JKGE Fc1cc(Br)cc(F)c1[C@@H](Br)Cc1cccc(Br)c1 122354959 CERHAYWUNAUEMI-NSHDSACASA-N 454.934 6.169 50 10 JKGE O=C1COc2ccc([C@H](Br)c3cc(Br)ccc3Br)cc2N1 161091185 QWKMDIDHURUTTP-HNNXBMFYSA-N 475.962 5.027 50 10 JKGE Clc1ccc([C@@H](CI)OCc2cccc(Br)c2)cc1 162545667 LSLVJIYZFFIPCO-OAHLLOKOSA-N 451.529 5.795 50 10 JKGE Fc1ccc(Br)cc1[C@@H](Br)c1csc2c(Br)cccc12 163505761 RFTFOKMYOJSLQF-CQSZACIVSA-N 479.006 7.050 50 10 JKGE COc1c(C)cc(P(C2=CC=C[C@H]2[C@H](c2ccccc2)N(C)C)c2cc(C)c(OC)c(C)c2)cc1C 205576291 UJIXMNNVTZWTSC-DGPALRBDSA-N 499.635 6.743 50 10 JKGE C[C@H](N/C=C(/C#N)C(=O)Nc1ccc(Cl)c(C(F)(F)F)c1)C12CC3CC(CC(C3)C1)C2 217249301 APXCCANXYYUANP-UORUSPLLSA-N 451.920 5.899 50 10 JKGE FC(F)(F)C([C@@H](Br)c1cc(Br)ccc1Br)C(F)(F)F 236096960 VRGWTKBDKDGCAU-ZETCQYMHSA-N 478.850 6.388 50 10 JKGE CCOc1cc(C=NNC(=O)c2c(-c3ccccc3)noc2C)ccc1OC(=O)c1ccccc1 252626680 RDLYPVILAFJTKW-UHFFFAOYSA-N 469.497 5.032 50 10 JKGE CC(=NNC(=O)c1cccc(S(=O)(=O)Nc2cccc(Cl)c2)c1)c1cc2ccccc2o1 254489976 OLVVIHGVAWWBPR-UHFFFAOYSA-N 467.934 5.041 50 10 JKGE CC(=NNC(=O)c1c[nH]c2ccccc12)c1ccc(NC(=O)C(F)(F)C(F)(F)C(F)(F)F)cc1 254593075 ZWUUXPVYMZNNTF-UHFFFAOYSA-N 488.363 5.093 50 10 JKGE CC(=NNC(=O)c1cc(-c2ccc(Cl)cc2)nc2ccc(Cl)cc12)c1ccc(C(C)(C)C)cc1 254839115 ALCJFQYBRBJQAS-UHFFFAOYSA-N 490.434 7.660 50 10 JKGE CC(C)(C)OC(=O)N1CCC[C@@](CBr)(OCc2cccc(Br)c2)C1 303741872 RPNISSBHBYWGRK-SFHVURJKSA-N 463.210 5.130 50 10 JKGE C[C@@H]1CCC[C@H](CO[C@]2(CI)CCCN(C(=O)OC(C)(C)C)C2)C1 304193244 WBICWRYYZIAACA-GJYPPUQNSA-N 451.389 5.034 50 10 JKGE CC(C)(C)OC(=O)N1C[C@@H](CBr)[C@H](c2ccc(Br)c(Cl)c2)C1 382687605 MDAWXGCGKQRXDJ-NEPJUHHUSA-N 453.602 5.448 50 10 JKGE CC(C)(C)[Si](C)(C)OCCN1CCC(c2ccc(CO[Si](C)(C)C(C)(C)C)cc2)CC1 616619093 BQSLZNUQHPNBGP-UHFFFAOYSA-N 463.855 7.410 50 10 JKGE Cn1ncc(Br)c1[C@@H](Br)c1cc(Br)sc1Br 693047308 KXPCCIJTPTXWNV-ZETCQYMHSA-N 493.844 5.253 50 10 JKGE COc1cc(C)c(Br)cc1[C@@H](Cl)c1scc(Br)c1Br 705470349 ZMUJPAMDNIUWBQ-GFCCVEGCSA-N 489.454 6.681 50 10 JKGE Clc1ccc([C@@H](Br)c2scc(Br)c2Br)cc1Cl 707806401 LAOFOXWJZJGDPF-SECBINFHSA-N 479.846 7.064 50 10 JKGE Cn1ncc(Br)c1[C@@H](Br)c1cc(Cl)c(Br)cc1F 710341382 YFYOKHIKNZDZBY-JTQLQIEISA-N 461.354 5.222 50 10 JKGE CN(Cc1ccccc1)[C@@H](Cn1c(CCl)nc2ccc(F)c(Br)c21)C1CC1 718000364 ZRRVQIDGZOYUAA-SFHVURJKSA-N 450.783 5.587 50 10 JKGE COc1ccc(/C=C(/C#N)C(=O)Nc2ccc(Cl)cc2)cc1OCc1c(Cl)cccc1Cl 1083930349 SIAMNMPOZMJSQQ-WJDWOHSUSA-N 487.770 6.780 50 10 JKGE Cc1ccc(CSCC(=O)NN=Cc2ccc(OCc3ccc4ccccc4c3)cc2)cc1 1084053262 LMGJWXVDKNFJTB-UHFFFAOYSA-N 454.595 6.111 50 10 JKGE O=C(NN=Cc1ccc(OCc2ccccc2)cc1)c1ccc(CSc2ccccc2)cc1 1084088474 UDUUXQLBVZUUEX-UHFFFAOYSA-N 452.579 6.322 50 10 JKGE O=C(NN=Cc1cccc(OCc2ccc(F)cc2)c1)c1ccc(OCc2ccc(Cl)cc2)cc1 1084167656 RLXHIFHQGYYGPG-UHFFFAOYSA-N 488.946 6.401 50 10 JKGE COc1ccccc1C(=O)NN=C1CCCc2oc(C(=O)Nc3ccc(Cl)c(Cl)c3)c(C)c21 1772746187 RIYRMWMVBBZDKB-UHFFFAOYSA-N 486.355 5.626 50 10 JKGE CC(C)CCC[C@@H](C)[C@@H]1CC[C@H]2[C@@H]3CC=C4C[C@@H](OC(=O)CCCl)CC[C@]4(C)[C@H]3CC[C@@]21C 1848665492 NZCIAHIYIOJGGF-SBFRQEOESA-N 477.173 8.569 50 10 JKGE CCc1cccc(CC)c1NC(=O)[C@H](C)Oc1cccnc1NC(=O)Oc1ccc([N+](=O)[O-])cc1F 1858683970 CESSEROCTQPFQS-HNNXBMFYSA-N 496.495 5.271 50 10 JKGE COc1ccc(-c2nn(-c3ccccc3Cl)c3c2[C@H](c2ccc(N(C)C)cc2)C(C#N)=C(N)O3)cc1 1865683181 ICBLYHALNKDMGY-XMMPIXPASA-N 497.986 5.485 50 10 JKGE COc1ccc(-c2nn(Cc3ccccc3)c3c2[C@@H](c2ccc(Cl)cc2)C(C#N)=C(N)O3)cc1 1865684169 VJCNQNJTNDUXGZ-QHCPKHFHSA-N 468.944 5.479 50 10 JKGE COc1ccc(-c2nn(-c3ccccn3)c3c2[C@H](c2c(Cl)cccc2Cl)C(C#N)=C(N)O3)cc1 1865685342 HFECAJQOYVOQLG-FQEVSTJZSA-N 490.350 5.468 50 10 JKGE C=CCOc1ccccc1[C@@H]1C(C#N)=C(N)Oc2c1c(-c1ccccc1)nn2-c1ccccc1Cl 1865691379 QMOHQHBSYUSPLK-XMMPIXPASA-N 480.955 5.976 50 10 JKGE Cn1cc([C@H]2C(C#N)=C(N)Oc3c2c(-c2ccccc2)nn3Cc2cccc(Cl)c2)c2ccccc21 1865699340 QZPCQFBZHOLAKU-RUZDIDTESA-N 491.982 5.962 50 10 JKGE N#CC1=C(N)Oc2c(c(C(F)(F)F)nn2-c2ccc(Cl)c(Cl)c2)[C@@H]1c1ccc(F)cc1F 1865701707 CGKNPKYMMOHALS-OAHLLOKOSA-N 487.215 5.694 50 10 JKGE Cc1nn(-c2ccc(Cl)cc2)c2c1[C@@H](c1ccc(OC(=O)c3ccccc3)cc1)C(C#N)=C(N)O2 1865705320 SBPDQMYWRQYEOL-DEOSSOPVSA-N 482.927 5.272 50 10 JKGE C[C@@H](CC(=O)N[C@@H](Cc1ccccc1)C(=O)Nc1ccc(SC#N)cc1)c1ccc(Cl)cc1 1866715898 PKJVESOCKORJPS-UUOWRZLLSA-N 478.017 5.773 50 10 JKGE N#CSc1ccc(Nc2cc(N3CCc4cc5ccccc5nc43)nc(Cc3ccccc3)n2)cc1 1868208258 XTZMQQDEJJYKQP-UHFFFAOYSA-N 486.604 6.627 50 10 JKGE CC(C)C[C@@H](/C(O)=C(\C#N)c1nc(-c2ccc(F)c(F)c2)cs1)N1C(=O)c2ccccc2C1=O 1872751347 CSVSNKCREWZXCK-LEHARJQJSA-N 479.508 5.592 50 10 JKGE COc1ccc(C(C)(C)C)cc1-c1csc(/C(C#N)=C(\O)Cc2ccc(NC(C)=O)cc2)n1 1872751455 IODPKYCQLQKCBM-LNVKXUELSA-N 461.587 6.110 50 10 JKGE CCCCc1ccc(N2C[C@@H](/C(O)=C(\C#N)c3nc(-c4ccc(OC)c(F)c4)cs3)CC2=O)cc1 1872752630 LTKANFWKHPUBDM-KOAPHTDDSA-N 491.588 6.146 50 10 JKGE COc1ccc(/C=C/C(O)=C(\C#N)c2nc(-c3cc(C)c(Cl)cc3OC)cs2)cc1OC 1872757256 XDFIVNAKVMUTBT-VFFXKLFPSA-N 468.962 6.304 50 10 JKGE COc1c(C)cc(Cl)cc1-c1csc(/C(C#N)=C(O)/C=C/c2ccc(C(C)(C)C)cc2)n1 1872757307 ZOWZBFRRHBFMFF-ARDXNMSASA-N 465.018 7.584 50 10 JKGE N#C/C(=C\c1ccccc1OCc1ccccc1Cl)c1nc(-c2ccccc2Cl)cs1 1872780516 BRJWDMVXTYHGMP-CPNJWEJPSA-N 463.389 7.760 50 10 JKGE COc1c(C)cc(C)cc1-c1csc(/C(C#N)=C/c2ccc(OCc3ccc(C)cc3)cc2)n1 1872792458 ADVNHUYEQPIBFI-BUVRLJJBSA-N 466.606 7.387 50 10 JKGE Cc1cc(Br)c([C@@H](Br)C23CCC(CC2)OC3)cc1Br 1878057733 AUBCSLXJYPSCKT-CIQACWJJSA-N 453.012 5.915 50 10 JKGE CC1(C)CC[C@H]([C@H](CBr)NC(=O)OC(C)(C)C)[C@H](CNC(=O)OC(C)(C)C)C1 1885098085 WGYJYGPRADOWPY-JYJNAYRXSA-N 463.457 5.242 50 10 JKGE COc1cc(C)c([C@@H](Br)c2cccc(OCc3ccccc3)c2)cc1Br 1901678186 UTFCHKDNXQQVQN-QFIPXVFZSA-N 476.208 6.829 50 10 JKGE CC(C)[C@H](CBr)N(Cc1ccccc1)S(=O)(=O)c1ccc(Cl)c(F)c1Cl 1915300689 PNZDIQDLPBUWEU-HNNXBMFYSA-N 483.230 5.743 50 10 JKGE O=C(Cc1cccc(Br)c1)N(Cc1ccccc1)C1(CBr)CCC1 1915756713 LVRDLEIVGNFCPV-UHFFFAOYSA-N 451.202 5.338 50 10 JKGE Cc1c(Br)sc([C@@H](Cl)c2cn(C)c(Br)n2)c1Br 1922887360 VIJFOTVVNPUNEJ-ZETCQYMHSA-N 463.420 5.406 50 10 JKGE CC1(C)CCC[C@H]1[C@H](Br)c1c(Br)sc(Br)c1Cl 1923071382 IPDXTXLYCLWWEN-XPUUQOCRSA-N 465.476 7.189 50 10 JKGE FC(F)(F)CC1([C@@H](Br)c2c(Cl)sc(Br)c2Cl)CCC1 1925554592 MCRNVVUAAYXRGU-ZETCQYMHSA-N 460.968 7.376 50 10 JKGE COc1ccc(Br)cc1[C@@H](Br)c1c(Cl)sc(Cl)c1Cl 1925586248 WWUVKQRNARKNNY-SECBINFHSA-N 465.421 6.964 50 10 JKGE O=C(N[C@H](CCCC[C@@H]1CCSS1)C(=O)O)OCC1c2ccccc2-c2ccccc21 1951380406 WQUARFWKNVESRO-OPAMFIHVSA-N 457.617 5.692 50 10 JKGE Cc1nc(C(=O)N(Cc2ccccc2)[C@H](CBr)C2CC2)c(Br)s1 1980605341 NGHYRCWKFNTHMD-CQSZACIVSA-N 458.219 5.030 50 10 JKGE CCc1sc(Br)cc1[C@H](Br)c1ccc(F)c(Br)c1 2030224840 ZLIDBEGCPNUAPT-CYBMUJFWSA-N 457.000 6.459 50 10 JKGE COc1ccc([C@H](Br)c2csc(I)c2)c(Cl)c1Cl 2083146446 RFNVGSIMUBOCJV-SNVBAGLBSA-N 477.976 6.152 50 10 JKGE Brc1cc([C@@H](Br)C2C[C@H]3COC[C@H](C2)C3)sc1Br 2085743986 OPOVSRRZHGFLRW-UBJUHAIHSA-N 459.041 5.772 50 10 JKGE O=C(NC[C@@H](Br)c1ccccc1)c1csc(Br)c1Br 2093943898 AKMXGFTYQOJPRJ-SNVBAGLBSA-N 468.008 5.139 50 10 JKGE C[C@@H](Cl)c1nc2cc(Cl)c(Br)cc2n1C[C@@H](C)N(C)Cc1ccccc1 2112697730 WQHKUNVKSXAKPN-ZIAGYGMSSA-N 455.227 6.273 50 10 JKGE CC(C)(C)OC(=O)NCCSSCCNc1cc(Cl)c(Br)cc1[N+](=O)[O-] 2125299441 SFFRBFGKLRQWLG-UHFFFAOYSA-N 486.841 5.329 50 10 JKGE Cc1nn(C)c(Br)c1[C@H](Br)c1cc(C2CC2)c(Br)s1 2129269449 JQSQRXGNVARWKZ-LLVKDONJSA-N 469.040 5.677 50 10 JKGE CCc1cscc1[C@H](Br)c1c(C)c(Br)cc(C)c1Br 2136373580 DCDFCBMGYBVODG-HNNXBMFYSA-N 467.064 6.937 50 10 JKGE Fc1cc(Br)cc(N2CC[C@]3(CCCN(Cc4ccccc4)C3)C2)c1CCl 2170695962 WWRSPOHFQPYQCS-QFIPXVFZSA-N 451.811 5.820 50 10 JKGE O=C(c1c(Br)cccc1Br)N(CCBr)Cc1ccsc1 2171090643 LWYNIBXMJJXCEI-UHFFFAOYSA-N 482.035 5.310 50 10 JKGE BrCC1(Cc2c(Br)cccc2Br)CC2(C1)CC21CCC1 2183920178 MDLJZEIWTOXZJZ-UHFFFAOYSA-N 463.051 6.490 50 10 JKGE COc1cc([C@@H](Br)c2ccc(F)c(Br)c2F)ccc1Br 2192151831 OFOIREXXWYAHRN-GFCCVEGCSA-N 470.933 5.983 50 10 JKGE FC(F)(F)CCCCC(CBr)(CBr)c1ccc(Br)cc1 2201504073 SIRJVVLFCLQIFX-UHFFFAOYSA-N 480.988 6.599 50 10 JKGE Fc1cc(CBr)cc(F)c1OCc1ccc(I)c(Cl)c1 2208038475 DRIJFDMJHNHVLU-UHFFFAOYSA-N 473.482 5.697 50 10 JKGE COc1ccc(Br)cc1[C@H](Br)c1scc(Br)c1C 2218995886 YFTSNEAIJJVCQX-LBPRGKRZSA-N 455.009 6.074 50 10 JKGE CC1(C)CCC[C@](CBr)(Cc2cc(Cl)ccc2I)O1 2226862384 CWSWDUBFEDDOKV-OAHLLOKOSA-N 457.577 5.600 50 10 JKGE CCC1(C)CC([C@H](Br)c2c(Br)cc(C)c(Br)c2C)C1 2227373417 ZQVQSOLHDONCIX-AJQRCPHMSA-N 453.056 7.091 50 10 JKGE CCN(C[C@@](C)(CBr)OCCCC(F)(F)C(F)(F)F)C(=O)OC(C)(C)C 2231728851 IIJXZPOBWMNKRG-CQSZACIVSA-N 456.290 5.391 50 10 JKGE Cc1cc(Br)c([C@@H](Br)Cc2ccc(Br)cc2)c(C)c1Cl 2232530740 UTABJZHFUGFELI-AWEZNQCLSA-N 481.453 7.161 50 10 JKGE Cc1cc(Br)c([C@@H](Br)[C@H]2CCCC(C)(C)C2)c(C)c1Br 2235602708 FBEKBCXQNACPQH-LRDDRELGSA-N 467.083 7.481 50 10 JKGE Cc1sc(Br)cc1[C@H](Cl)c1ccc(Cl)c(I)c1 2248212434 IKKZENYXDWDJMN-GFCCVEGCSA-N 461.977 6.405 50 10 JKGE Brc1cc2sc([C@@H](Br)c3occc3Br)cc2s1 2252906591 ADKKUAACRFGRMS-SNVBAGLBSA-N 457.006 6.565 50 10 JKGE Fc1cccc(I)c1[C@@H](Br)c1cc2sccc2s1 2255902564 RPXJZOKGCDCWAJ-ZDUSSCGKSA-N 453.139 6.191 50 10 JKGE Cc1cc(F)c(Br)cc1C(=O)N(Cc1ccccc1)[C@@H](CBr)C(C)C 2258017761 XEXMEADZXCGYLP-IBGZPJMESA-N 471.208 5.959 50 10 JKGE CC(C)Cc1ccc([C@@H](Br)c2c(F)cccc2I)s1 2267662536 DWRBRILNKLSEHM-OAHLLOKOSA-N 453.158 6.175 50 10 JKGE Fc1cc(Br)c(F)c(Br)c1[C@H](Br)[C@H]1C[C@H]2CC[C@H]1C2 2272725857 GQFDDRAZVVEDKA-GLTNYXDESA-N 458.966 6.362 50 10 JKGE Cc1cccc([C@@H](Cl)Cc2cc(Br)cc(Br)c2)c1Br 2277962066 BWJMVLVDDRVLRG-AWEZNQCLSA-N 467.426 6.805 50 10 JKGE CCCCCCOc1ccc(-c2nn(-c3ccccc3)cc2C=C(C#N)C(=O)N2CCN(C)CC2)cc1 2296705116 RDWWANVAOGPWKO-UHFFFAOYSA-N 497.643 5.179 50 10 JKGE COc1cc(C=C(C#N)c2nc(-c3ccc(Cl)cc3Cl)cs2)ccc1OCc1ccccc1 2296790008 JCAORHOZUDKKQG-UHFFFAOYSA-N 493.415 7.769 50 10 JKGE COc1cc(C=C(C#N)c2nc3ccccc3[nH]2)ccc1OC(=O)c1cc2ccccc2nc1Cl 2297399229 WPCKLFUSDPXFKA-UHFFFAOYSA-N 480.911 6.056 50 10 JKGE Cc1ccc(NC(=O)C(C#N)=Cc2cn(CC(=O)NCc3ccco3)c3ccccc23)cc1Cl 2297551988 BXYZDKLLZQQQDH-UHFFFAOYSA-N 472.932 5.058 50 10 JKGE CC(C)(F)[C@@](C)(F)[C@@H](Br)c1cc(Br)ccc1OCc1ccccc1 2299489074 MCUDFFVEQQJGLM-HKUYNNGSSA-N 462.172 6.940 50 10 JKGE Brc1ccc(OCc2ccccc2)c([C@H](Br)[C@@]23CCCC[C@@H]2C3)c1 2299495856 MKNCFRDCIKGJLT-TYCQWZJGSA-N 450.214 7.044 50 10 JKGE CCc1occc1[C@H](Br)c1cc(Br)ccc1OCc1ccccc1 2299534587 FKTMJZISRNVSEU-FQEVSTJZSA-N 450.170 6.668 50 10 JKGE FC1(F)[C@@H]2CC[C@H]([C@@H](Br)c3sc(Cl)cc3I)[C@@H]21 2300956915 HCVDYRMZSUUDPB-CCCGMHFHSA-N 453.517 5.733 50 10 JKGE CC(C)n1ncc(Br)c1CN(Cc1ccccc1)[C@@H](CBr)C1CC1 2303060765 SYOVGYUDEOAYCE-SFHVURJKSA-N 455.238 5.402 50 10 JKGE CCN(CCCCBr)Cc1ccc(I)c(Br)c1 2306226363 IFNKNTPNPQLSCC-UHFFFAOYSA-N 475.006 5.051 50 10 JKGE C=CCc1cc(C=C(C#N)C(=O)Nc2ccc(C)cc2)cc(OCC)c1OCc1ccc([N+](=O)[O-])cc1 2313567966 MWZINXIHPRMWSI-UHFFFAOYSA-N 497.551 6.155 50 10 JKGE Brc1ccc(OCc2ccccc2)c([C@@H](Br)CC2CCCCCC2)c1 2314449290 OXNLRLYDKOJNDX-NRFANRHFSA-N 466.257 7.825 50 10 JKGE CCOc1cccc(-c2nn(-c3ccccc3)cc2C=C(C#N)S(=O)(=O)c2ccc(Cl)cc2)c1 2314476232 LFRHUESFYKBBOK-UHFFFAOYSA-N 489.984 5.930 50 10 JKGE COc1c([C@@H](Cl)c2cc(Br)ccc2OCc2ccccc2)csc1Cl 2314497972 PLYKNHBGQCFNBK-KRWDZBQOSA-N 458.204 7.080 50 10 JKGE CCOc1ccc(-c2nn(-c3ccccc3)cc2C=C2C(=O)N(C(C)C)C(=O)C(C#N)=C2C)c(C)c1 2314611677 YVEKNEFAORWLFT-UHFFFAOYSA-N 480.568 5.247 50 10 JKGE Fc1c(Br)cc(Cl)c([C@@H](Cl)c2ccsc2Br)c1Br 2315450780 ICKBNQPNSFGEPH-VIFPVBQESA-N 497.836 7.156 50 10 JKGE CSc1ccc(Cl)cc1CC(=O)NN=Cc1ccc(OCCCc2ccccc2)cc1 2323683699 ZJALWZFMWGRHDZ-UHFFFAOYSA-N 453.007 5.766 50 10 JKGE N#CC(=Cc1ccc(N2N=C(c3ccccc3)C[C@@H]2c2ccccc2)cc1)n1cnc2ccccc21 2331032907 ZITWIPQGBYGUES-WJOKGBTCSA-N 465.560 6.914 50 10 JKGE Cc1ccc(OCC(O)=C(C#N)c2nc(-c3ccc(-c4ccccc4)cc3)cs2)c(C(C)(C)C)c1 2331231860 LUGUWYRUELMVJT-UHFFFAOYSA-N 480.633 7.955 50 10 JKGE Cc1cc(OCCCC(O)=C(C#N)c2nc(-c3ccc4ccccc4c3)cs2)cc(C)c1Cl 2331238816 ZMWPZOBOFZOSBT-UHFFFAOYSA-N 475.013 7.885 50 10 JKGE CC(C)C[C@@H](C(O)=C(C#N)c1nc(-c2ccccc2Cl)cs1)N1C(=O)c2ccccc2C1=O 2331265889 MDUQNMAOVHGUAP-NRFANRHFSA-N 477.973 5.967 50 10 JKGE CCOC(=O)Oc1ccc(C(O)=C(C#N)c2nc(-c3cccc(Br)c3)cs2)cc1 2331279385 RRZLRZHTFOJHAZ-UHFFFAOYSA-N 471.332 6.058 50 10 JKGE CC[C@H](C)N1C(=O)c2ccc(C(O)=C(C#N)c3nc(-c4cc(C)ccc4C)cs3)cc2C1=O 2331319598 OCZDMFBEBNLOHL-INIZCTEOSA-N 457.555 5.771 50 10 JKGE CC(C)(C)c1ccc(C(=O)NCC(O)=C(C#N)c2nc(-c3cccc4ccccc34)cs2)cc1 2331337813 CZKRRNALKWESRV-UHFFFAOYSA-N 467.594 6.483 50 10 JKGE CCCCCCCOc1ccc(-c2csc(C(C#N)=C(O)C=Cc3cccc([N+](=O)[O-])c3)n2)cc1 2331345516 QLVUCYGHYNSUNI-UHFFFAOYSA-N 489.597 7.574 50 10 JKGE Cc1ccc(OCC(O)=C(C#N)c2nc(-c3cc(C(C)(C)C)ccc3C)cs2)c(C(C)(C)C)c1 2331396367 QRKDVGOJSCWHMI-UHFFFAOYSA-N 474.670 7.894 50 10 JKGE COc1ccc(-c2csc(C(C#N)=Cc3cccc(OC)c3OCc3cccc(C)c3)n2)cc1 2331431437 FSTXPZYLRCHFKF-UHFFFAOYSA-N 468.578 6.779 50 10 JKGE Cc1c(Br)sc([C@@H](Br)c2cc(F)c(F)cc2F)c1Br 2336115047 HQZKHYOLERKZKC-JTQLQIEISA-N 478.953 6.483 50 10 JKGE CC1(C)COC[C@@H]1[C@@H](Br)c1c(F)cc(Br)c(F)c1Br 2336199255 AZDPUCVMKCZAML-LHLIQPBNSA-N 462.954 5.598 50 10 JKGE Fc1c(Br)cc(Cl)c([C@@H](Br)[C@@H]2C[C@H]3CC[C@@H]2O3)c1Br 2337105148 UTKRFRJDYFTBRY-IJEVMQKGSA-N 477.393 6.008 50 10 JKGE CC(C)(C)[C@H]1[C@@H](Br)CCN1Cc1ccc(Cl)c(I)c1 2337216610 VSLXYEIWHQHIFK-SMDDNHRTSA-N 456.593 5.329 50 10 JKGE Cc1cc(Br)c(F)c(Br)c1[C@H](Br)[C@@]12CCOC[C@@H]1C2 2339657049 UCJQXNBYHJNJKR-ULCPSODYSA-N 456.975 5.522 50 10 JKGE Cc1cc([C@@H](Cl)c2c(C)cc(Br)c(F)c2Br)oc1Br 2339685281 RTVKYHOEYNDJQM-LLVKDONJSA-N 475.377 6.651 50 10 JKGE CN(CC[C@@H](Br)c1cccs1)C(=O)c1csc(I)c1 2340628672 HEAASPHBASJTLK-SNVBAGLBSA-N 470.195 5.013 50 10 JKGE Cc1cc(Br)c([C@@H](Br)C23CC(C[C@@H](C)O2)C3)cc1Br 2342328713 LXXJORYOPAMPIP-OHGIUVIRSA-N 453.012 5.914 50 10 JKGE ClC[C@H]1C[C@@H]2CC[C@H](C1)N2Cc1ccc(I)c(Br)c1 2349857923 QVIXBYWNJKATSV-XYYAHUGASA-N 454.577 5.036 50 10 JKGE C[C@@H](Cl)c1nc2cc(Cl)c(Br)cc2n1[C@@H]1CN(Cc2ccccc2)C[C@H]1C 2357223356 VCZQNUKPUXDARP-ARGWCVDVSA-N 467.238 6.445 50 10 JKGE Brc1cc(OCc2ccccc2)ccc1[C@@H](Br)Cc1ccc2c(c1)CCO2 2361179816 YJSZUPMYFMHGRV-NRFANRHFSA-N 488.219 6.642 50 10 JKGE Cc1cc(Br)c(CCl)c(OCc2cc(Br)cc(Br)c2)c1 2362212934 BDTBOZFABGVPFF-UHFFFAOYSA-N 483.425 6.600 50 10 JKGE Fc1c(Br)cc(Cl)c([C@@H](Cl)Cc2cccc(Cl)c2)c1Br 2362227096 ZWMSEFIDCRKOGJ-JTQLQIEISA-N 461.383 7.180 50 10 JKGE Fc1cccc([C@@H](Br)c2c(Cl)cc(Br)c(F)c2Br)c1F 2362256211 UHJXGAQLPWXBLU-SNVBAGLBSA-N 493.342 6.767 50 10 JKGE CC[C@H](C)[C@@H](c1ccccc1)[C@H](Br)c1sc(Cl)cc1I 2363891657 JSHYADGVCLCCQT-LKTVYLICSA-N 483.640 7.272 50 10 JKGE Cc1cc(Br)c(F)c(Br)c1[C@@H](Br)c1ccc(F)c(Cl)c1 2365186998 WJPRDYXMEBATGV-LBPRGKRZSA-N 489.379 6.936 50 10 JKGE CC1CCC([C@@H](CBr)NC(=O)c2cc(Br)sc2Br)CC1 2379726840 ZEVUURNJLFKTLW-NWGYLPEXSA-N 488.083 5.593 50 10 JKGE Cc1cc(Br)c(C(C)C)cc1[C@H](Cl)c1cccc(I)c1 2380926894 IUOGIYJRWYIAQT-QGZVFWFLSA-N 463.584 6.814 50 10 JKGE N#C/C(=C/c1ccc(OCc2ccccc2)cc1)C(=O)Nc1cc(C(F)(F)F)ccc1Cl 2801185 XKAPUHWVCILOIV-PDGQHHTCSA-N 456.851 6.483 50 10 JKGE CC[C@H](Oc1ccccc1[C@@H](C)CC)C(=O)NNC(=O)c1ccccc1OCc1ccccc1 10683867 BCFVQPAMQMMZQZ-RDPSFJRHSA-N 460.574 5.398 50 10 JKGE COc1ccc(/C=C(/C#N)C(=O)Nc2nc(-c3ccc(Oc4ccccc4)cc3)cs2)cc1 33710991 BOCBWMCXNAHLQU-HKWRFOASSA-N 453.523 6.157 50 10 JKGE N#C/C(=C/c1ccc(-c2ccc([N+](=O)[O-])cc2Cl)o1)C(=O)Nc1ccc([N+](=O)[O-])cc1Cl 33930169 PBYGESLVAHQIIS-XFFZJAGNSA-N 473.228 5.615 50 10 JKGE N#C/C(=C/c1ccc(-c2ccc([N+](=O)[O-])cc2Br)o1)C(=O)Nc1ccc([N+](=O)[O-])cc1 33930311 SNARWEIIXPDXER-XFXZXTDPSA-N 483.234 5.071 50 10 JKGE CCc1ccc(O[C@@H](C)C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@@H]3c2ccc(C)cc2)cc1 38649282 DWWZULLVJXRLJF-HFJWLAOPSA-N 454.526 5.149 50 10 JKGE Cc1cc(OCC(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@@H]3c2ccccc2Cl)ccc1Cl 38651057 WDKGXSRZMIKSGG-XMMPIXPASA-N 481.335 5.504 50 10 JKGE C=CCOc1ccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)COc4c(C)cccc4C)ccc32)cc1 38658134 RONCTNBCXOQSSN-MHZLTWQESA-N 482.536 5.071 50 10 JKGE CCCOc1cccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4ccc(Cl)cc4)ccc32)c1 38684372 FGIWAOUHQYRORE-XMMPIXPASA-N 460.917 5.566 50 10 JKGE N#CC1=C(N)Oc2cc(OC(=O)c3ccco3)ccc2[C@H]1c1cccc(OCc2ccccc2F)c1 38686809 OKTCCZSUHAOSBQ-AREMUKBSSA-N 482.467 5.435 50 10 JKGE CCc1ccc(OC(=O)c2oc3c(c2C)/C(=N/NC(=O)c2ccccc2Cl)CCC3)cc1 40812782 XBTDBTZFROYVLV-NHFJDJAPSA-N 450.922 5.493 50 10 JKGE O=C(CC[C@H](O)c1ccccc1)N/N=C\c1ccccc1OCc1ccc(Cl)c(Cl)c1 58892366 HHEKDQBOKGAKAA-CHVMBPBASA-N 457.357 5.536 50 10 JKGE Cc1c(Cl)cccc1NC(=O)/C(C#N)=C\c1cc(Cl)ccc1OCc1ccc(F)cc1 59245257 LMURNATUHJOPFC-WQRHYEAKSA-N 455.316 6.566 50 10 JKGE N#C/C(=C\c1cn(Cc2ccc(F)cc2)c2ccccc12)C(=O)Nc1cccc(C(F)(F)F)c1 59297057 VVMCUQUPMLEPTF-LDADJPATSA-N 463.434 6.393 50 10 JKGE CCc1ccc(N2C(=O)[C@H](Cc3cccc(Cl)c3)S/C2=C(/C#N)C(=O)Nc2ccccc2)cc1 101244374 CBFFMRZOGBOSQZ-FYAMCCBRSA-N 488.012 5.967 50 10 JKGE Cc1cc(Cl)cc([C@@H](Br)c2cc(Br)ccc2Br)c1 157685077 TYRYOOYAXWOSMS-CQSZACIVSA-N 453.399 6.658 50 10 JKGE Fc1cc2nc(CCl)n(-c3cc(Br)ccc3Br)c2cc1Br 158563143 OHWQIXVTNJPQHR-UHFFFAOYSA-N 497.387 6.191 50 10 JKGE Clc1ccc(Br)cc1[C@@H](Cl)c1csc2c(Br)cccc12 163501466 MFUBQYMAZFAZIO-CQSZACIVSA-N 451.010 7.408 50 10 JKGE C[C@H](Cc1cc(=O)c2c3c(c4ccccc4c2o1)O[C@H]1CC(=O)O[C@H]31)O[Si](C)(C)C(C)(C)C 195812541 JGZYPNASVFRGCR-XZLBEJRYSA-N 466.606 5.648 50 10 JKGE CCc1ccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)/C=C\c4ccc(C(C)(C)C)cc4)ccc32)cc1 205652339 ZAXBEQRQYMBBKM-GHVRZZSOSA-N 478.592 6.383 50 10 JKGE CCCCNC(=O)/C(C#N)=C\c1ccc(OC(=O)/C=C\c2ccc(OCCCC)cc2)c(OC)c1 207122020 UAHLAOFLWXLUIB-STXLYQLQSA-N 476.573 5.316 50 10 JKGE O=C(N/C(=C/F)[P+](c1ccccc1)(c1ccccc1)c1ccccc1)C(Cl)(Cl)Cl 210648792 YYKGGKMSRVFZIU-SILNSSARSA-O 467.715 5.235 50 10 JKGE Cc1ccc(F)c([C@@H](Br)c2cc(Br)c(Br)s2)c1F 214815865 RBVOWZMGVIJVRS-JTQLQIEISA-N 460.963 6.344 50 10 JKGE N#C/C(=C/N(Cc1ccccc1)Cc1ccccc1)C(=O)Nc1ccc(Oc2ccccc2)cc1 217210983 WCMDSJWRXXFLTI-RWEWTDSWSA-N 459.549 6.527 50 10 JKGE Cc1sc(Br)cc1[C@H](Br)c1cccc(Br)c1Cl 228453582 OVHRROXAWDSRBY-LLVKDONJSA-N 459.428 6.719 50 10 JKGE CC(=NNC(=O)CSc1nnc(-c2ccc(C)cc2)n1C1CCCCC1)c1ccc([N+](=O)[O-])cc1 254484311 JBWILWJFRKTSIZ-UHFFFAOYSA-N 492.605 5.299 50 10 JKGE CCC(=NNC(=O)CSc1nnc(-c2ccc(C)cc2)n1-c1ccc(C)cc1)c1ccc(O)cc1 254739355 BJTAJDZLOASNPA-UHFFFAOYSA-N 485.613 5.279 50 10 JKGE CCCCC[C@H](/C=C/[C@H]1[C@@H]2CC(=O)O[C@H]2C[C@H]1OC(=O)c1ccccc1)O[Si](C)(C)C(C)(C)C 256108696 HCFDVFAZKOSMJZ-MGFSGQBESA-N 486.725 6.691 50 10 JKGE Fc1ccc(Cl)c([C@H](Br)c2cc(Br)sc2Br)c1 310174481 UTSDHIFGUNXKAS-JTQLQIEISA-N 463.391 6.550 50 10 JKGE C[C@@H](CCn1c([C@@H](C)Cl)nc2cc(F)c(Br)cc21)N(C)Cc1ccccc1 379605444 IPLZICITERYMSC-LSDHHAIUSA-N 452.799 6.148 50 10 JKGE CC1CCC(COc2c(Br)cc(CBr)cc2Br)CC1 382516548 RLIIFIOIUXEWAR-UHFFFAOYSA-N 455.028 6.312 50 10 JKGE Fc1cc(Cl)ccc1[C@H](Br)c1cc(I)cc2c1OCC2 383298652 YJKFDBWEGMLBRL-AWEZNQCLSA-N 467.503 5.503 50 10 JKGE C[C@@H]1CCC[C@H](COc2c(Br)cc(Br)cc2CBr)C1 388683253 FEFCGBAVJLRCAH-MNOVXSKESA-N 455.028 6.312 50 10 JKGE Fc1c(Br)ccc(COc2ccc(CBr)cc2Br)c1F 700989402 PKDRWYLDEBFEMC-UHFFFAOYSA-N 470.933 5.964 50 10 JKGE COc1cccc2c1nc(CCCl)n2CC1(N(Cc2ccccc2)Cc2ccccc2)COC1 705607499 YHCLLYCXILLPBF-UHFFFAOYSA-N 476.020 5.298 50 10 JKGE Clc1ccc(Br)c(Oc2cccc(Br)c2CBr)c1 708121377 IKJULKRKRRICQW-UHFFFAOYSA-N 455.371 6.552 50 10 JKGE Fc1ccc(COc2c(F)cc(Br)cc2CBr)cc1Br 715827498 MLVGQTWSOYRYSZ-UHFFFAOYSA-N 470.933 5.964 50 10 JKGE CC(C)(c1ccccc1)c1ccc(OCC(=O)NN=Cc2ccc(-c3ccc([N+](=O)[O-])cc3)o2)cc1 1083967853 NQVJGCHOOYWCCH-UHFFFAOYSA-N 483.524 5.710 50 10 JKGE CCN(CC)c1ccc(C=NNC(=O)c2ccc(-n3c(C)ccc3-c3ccccc3)cc2)cc1 1084027827 MOUUDKMWVQOESX-UHFFFAOYSA-N 450.586 6.063 50 10 JKGE CCOc1ccc(NC(=O)/C(C#N)=C\c2ccc(-c3ccc(Br)c(C)c3C)o2)cc1 1084403665 AGZDXHAUYDVWQF-LGMDPLHJSA-N 465.347 6.270 50 10 JKGE C=CCc1cc(C=NNC(=O)CC[C@H](O)c2ccccc2)cc(OCC)c1OCc1cccc(C)c1 1084558640 CEXZIHAMMDXWDZ-MHZLTWQESA-N 486.612 5.665 50 10 JKGE Cc1occc1C(=O)NN=C1CCCc2oc(C(=O)Nc3cc(Cl)ccc3Cl)c(C)c21 1772749373 MHRKTAKYXSRYGG-UHFFFAOYSA-N 460.317 5.519 50 10 JKGE CCOc1ccc(NC(=O)[C@H](C)Oc2cccnc2NC(=O)Nc2ccc(SC#N)cc2)cc1 1858843509 LFDLBYUPMDUKBT-INIZCTEOSA-N 477.546 5.103 50 10 JKGE CCCc1nn(Cc2ccccc2Cl)c2c1[C@@H](c1ccc(C(C)(C)C)cc1)C(C#N)=C(N)O2 1865682341 MJTRTLZETOUWRH-QHCPKHFHSA-N 461.009 6.053 50 10 JKGE COc1ccc(-c2nn(Cc3ccc(F)cc3)c3c2[C@@H](c2ccc(Cl)cc2)C(C#N)=C(N)O3)cc1 1865683533 LZLWYORQGJUXPU-QHCPKHFHSA-N 486.934 5.618 50 10 JKGE COc1ccc(-c2nn(CC(C)C)c3c2[C@H](c2ccc(Cl)cc2Cl)C(C#N)=C(N)O3)cc1 1865686507 WQFWMKSKMZUHRT-HXUWFJFHSA-N 469.372 5.740 50 10 JKGE CCCCOc1ccc([C@@H]2C(C#N)=C(N)Oc3c2c(CC)nn3Cc2ccc(Cl)c(Cl)c2)cc1 1865690314 OISGRLHAYJQXPB-HSZRJFAPSA-N 497.426 6.198 50 10 JKGE CCCn1nc(C(F)(F)F)c2c1OC(N)=C(C#N)[C@@H]2c1ccc(OCc2ccc(C)cc2)cc1 1865692236 DMDHLQWMMDLCPN-FQEVSTJZSA-N 468.479 5.418 50 10 JKGE Cc1nn(-c2ccccn2)c2c1[C@H](c1ccc(OCc3ccccc3Cl)cc1)C(C#N)=C(N)O2 1865704507 XPNSQWXVOVBNLZ-XMMPIXPASA-N 469.932 5.026 50 10 JKGE COC(=O)c1c(NC(=O)/C(C#N)=C/c2ccc(OC)c(OC)c2)sc(C)c1-c1ccccc1 1866130308 NQZOOBRFAVKPFN-LDADJPATSA-N 462.527 5.073 50 10 JKGE CC[C@H](NC(=O)C[C@@H](c1ccc(C(C)C)cc1)C(C)C)C(=O)Nc1ccc(SC#N)cc1 1866745565 ITWIYTHYXVHYOC-RPWUZVMVSA-N 451.636 6.046 50 10 JKGE CC[C@H]1Cc2cc(OC)ccc2N(c2cc(Nc3ccc(SC#N)cc3)nc(CCOC)n2)C1 1868253396 GCYCWVKGSPZNQI-SFHVURJKSA-N 475.618 5.711 50 10 JKGE CCOc1cc(/C(O)=C(\C#N)c2nc(-c3ccc([N+](=O)[O-])cc3)cs2)cc(OCC)c1OCC 1872747379 ZSDOTWCKYNWPRI-PYCFMQQDSA-N 481.530 5.864 50 10 JKGE CC(C)(C)c1ccc(-c2csc(/C(C#N)=C(O)/C=C/c3ccc(OCc4ccccc4)cc3)n2)cc1 1872751233 YAJDUPWFLPTGRB-NZHXZDIHSA-N 492.644 8.193 50 10 JKGE CCOc1ccc(-c2csc(/C(C#N)=C(\O)COc3ccc(Cl)cc3)n2)c(OCC)c1 1872755294 HJDMLFLJJGJSPL-VZCXRCSSSA-N 456.951 6.133 50 10 JKGE CCCCCOc1ccc(/C=C(\C#N)c2nc(-c3ccc(C(C)(C)C)cc3)cs2)cc1OCC 1872792192 KGVJZCQJVPZLRU-HAVVHWLPSA-N 474.670 8.139 50 10 JKGE CCOc1cc(CBr)cc(Br)c1OC[C@H]1C[C@H](Br)C1 1887912859 UNOJBVLDMXZBSN-XYPYZODXSA-N 457.000 5.295 50 10 JKGE Clc1ccc([C@@H](Br)c2ccc(Br)s2)c(I)c1 1901581951 INARJZUAXMJLMY-LLVKDONJSA-N 492.401 6.253 50 10 JKGE C[C@]1(Cc2ccc(I)c(Br)c2)CC[C@H](Br)C1 1904320828 CUYTYYDERDLEIG-GXFFZTMASA-N 457.975 5.550 50 10 JKGE C[C@@H]1CC[C@H](Cc2ccc(I)c(Br)c2)[C@H]1Br 1904327820 AZCGSLQYDFXMPB-JQEORGNBSA-N 457.975 5.406 50 10 JKGE C[C@H](c1cccs1)N(Cc1ccccc1)c1cccc(Br)c1CBr 1914841218 AMMOADLJMOJCTK-OAHLLOKOSA-N 465.254 7.173 50 10 JKGE Cc1c(Br)sc([C@@H](Br)[C@@H]2C(F)(F)C23CCCC3)c1Br 1922937039 XJNHEVMMMMRFLA-SCZZXKLOSA-N 479.022 6.843 50 10 JKGE C[C@@H](c1ccncc1Br)[C@H](Br)c1cccc(Br)c1F 1924038857 HYJPUICBHIVJOO-SDBXPKJASA-N 451.959 5.985 50 10 JKGE Cc1cc(Br)c([C@@H](Br)[C@H](C)c2ccncc2Br)cc1Cl 1924042728 CVYHHVABABRCBR-PSLIRLAXSA-N 482.441 6.808 50 10 JKGE C[C@@H]1CC[C@@H]([C@H](Br)c2c(Br)sc(Br)c2Br)O1 1924579125 AIJAFJKADDKQHC-ZDLURKLDSA-N 497.872 6.039 50 10 JKGE Brc1sc(Br)c([C@@H](Br)c2cnsc2)c1Br 1924611563 CHMBTNVQVRPFFG-YFKPBYRVSA-N 496.869 5.976 50 10 JKGE C[C@@H]1COC[C@H]1[C@@H](Cl)c1c(Br)sc(Br)c1Br 1924612249 KRQBUKLLZIKVGU-OKMMGKLZSA-N 453.421 5.598 50 10 JKGE COC1CC([C@H](Br)c2c(Br)sc(Br)c2Br)C1 1924612782 NQWROVRUUMZFMU-QIYZCZBYSA-N 497.872 5.897 50 10 JKGE Brc1cccc(Br)c1[C@@H]1CCC[C@H](CI)O1 1938361588 JIVIEZSVEQCDGE-KCJUWKMLSA-N 459.947 5.257 50 10 JKGE FC(F)(F)[C@@H]1C[C@H]1[C@@H](Br)c1c(Br)sc(Br)c1Cl 1950755221 RLZBHKBSRYVVQL-PAKKCRSFSA-N 477.365 6.561 50 10 JKGE Brc1cc2c(c([C@H](Br)c3sncc3Br)c1)OCC2 2028522981 AZQWVTQXZJKADS-JTQLQIEISA-N 453.981 5.087 50 10 JKGE CCOc1ccc([C@H](Br)c2cc(Br)sn2)cc1Br 2056497252 RKGXWJKGGDLPOK-LBPRGKRZSA-N 455.997 5.551 50 10 JKGE CN(CC1CC(Br)C1)C(=O)c1cc(Br)cc(NC(=O)OC(C)(C)C)c1 2076221279 VFOCYAJNROARGB-UHFFFAOYSA-N 476.209 5.042 50 10 JKGE Cc1csc([C@@H](Br)c2ccc(Br)c(C)c2Br)c1Cl 2083339932 RQLJOEGKALXJQU-NSHDSACASA-N 473.455 7.028 50 10 JKGE COc1cc([C@@H](Br)c2sncc2Br)c(OC)cc1Br 2088928293 ZLYASCRHOPEQAH-LLVKDONJSA-N 471.996 5.170 50 10 JKGE Brc1cccc([C@@H](Br)c2csc3ccccc23)c1Br 2092327684 DJNQICKZMUMEPY-CQSZACIVSA-N 461.016 6.911 50 10 JKGE COc1cc(Br)c(C)cc1[C@H](Cl)c1csc(Br)c1Br 2093942123 KYTKDCGEJQKLEG-LBPRGKRZSA-N 489.454 6.681 50 10 JKGE Cc1cc(Br)c([C@H](Br)C23CC(C)(C2)O[C@@H]3C)cc1Br 2100455146 PYWNWDHKUNLFGN-BWYOJNGRSA-N 453.012 5.914 50 10 JKGE C[C@@H]1[C@H](n2c(CCl)nc3cc(Br)c(Cl)cc32)CCN1Cc1ccccc1 2103625557 YIKIJGOOWPHLIJ-FZKQIMNGSA-N 453.211 6.027 50 10 JKGE Clc1cc(Br)cc(COc2cc(Br)ccc2CBr)c1 2110527694 CTMGOFPYMQALNQ-UHFFFAOYSA-N 469.398 6.339 50 10 JKGE ClCCCCc1cn(-c2cc(Br)c(Br)c(Br)c2)nn1 2116797687 NDQNIVGQUMDWPY-UHFFFAOYSA-N 472.406 5.116 50 10 JKGE Cc1cc(Br)c([C@H](Br)[C@H]2CCCC23CCC3)cc1Br 2116995274 LUGUEJFWFLXOTE-DOMZBBRYSA-N 451.040 6.926 50 10 JKGE CN(Cc1cc(Br)ccc1Br)[C@H]1CCCCC[C@H]1Br 2118520891 YXNSIXIRHWWYCG-CABCVRRESA-N 454.044 5.740 50 10 JKGE O=C([C@@H](Cl)c1ccc(OCc2ccccc2)c(OCc2ccccc2)c1)N1CCCCCC1 2134724570 YEKDEQMPDTVGTF-MHZLTWQESA-N 464.005 6.527 50 10 JKGE COCc1ccc([C@H](Br)c2c(Br)sc(Br)c2Cl)cc1 2134742645 SUCJHUYVENWTSI-JTQLQIEISA-N 489.454 6.557 50 10 JKGE Cc1c(Br)ccc([C@H](Br)[C@@H]2C[C@]23CCCOC3)c1Br 2138848938 HUQBBLRUEAHRPQ-CQDKDKBSSA-N 453.012 5.773 50 10 JKGE Cc1cc(Br)c(C)c([C@@H](Br)[C@]23C[C@](C)(CO2)C3)c1Br 2140282869 KMVFONSYKPAVNZ-KFWWJZLASA-N 453.012 5.834 50 10 JKGE Cn1nc(C[C@H](CBr)Cc2cccc(Br)c2)c(Br)c1Cl 2152981195 JJLNIGMHFXNUQD-SNVBAGLBSA-N 485.445 5.395 50 10 JKGE CC1(C)C[C@@H](n2c(CCl)nc3cc(I)c(F)cc32)[C@@H]1OCc1ccccc1 2156374050 KCFIMTNJMMOKSX-QUCCMNQESA-N 498.767 6.075 50 10 JKGE COC1CC2(C1)CC(CBr)(Cc1ccc(Br)cc1Br)C2 2156583483 SPGPUNJTBSUDTE-UHFFFAOYSA-N 467.039 5.724 50 10 JKGE COc1cc(F)c(Br)cc1[C@H](Br)c1c(Br)sc(C)c1C 2157250185 AWFOTHHJZWVANJ-ZDUSSCGKSA-N 487.026 6.522 50 10 JKGE Fc1c(Br)ccc(CC[C@@H](Br)c2ccccc2Br)c1F 2169756714 AJIVVZHSCOZTIW-GFCCVEGCSA-N 468.961 6.559 50 10 JKGE C[C@H]1CN(C(=O)c2cccc(Br)c2Br)CC[C@H]1CCBr 2172468368 PXYLFAMJJQXRIN-WDEREUQCSA-N 468.027 5.095 50 10 JKGE CC1(C)C[C@H](Cn2c(CCl)nc3cc(I)ccc32)CN1Cc1ccccc1 2188959298 VVOWVPJMUYTOCG-KRWDZBQOSA-N 493.820 5.680 50 10 JKGE Cc1cc(Br)c(C)c([C@H](Br)C23CCOC(C)(C2)C3)c1Br 2201080216 XDCMLJFTDOWHGC-FHERZECASA-N 467.039 6.224 50 10 JKGE Cc1csc([C@@H](Br)c2cc(Br)c(Br)cc2F)c1Cl 2218595737 AODCTORWJLOZIT-JTQLQIEISA-N 477.418 6.858 50 10 JKGE CCOCc1cc(Br)c([C@H](Br)c2ccc(Br)cc2)s1 2224781178 FLDIBHGLXVGYJS-CYBMUJFWSA-N 469.036 6.294 50 10 JKGE CCCN[C@H](c1c(Br)cc(C)c(Br)c1C)[C@H]1C[C@H]1Br 2227349521 CQEHDFHKCOHYJU-RWSFTLGLSA-N 454.044 5.653 50 10 JKGE C[C@@H]1CC[C@@H](C(C)(C)c2sc(Br)c(Br)c2Br)[C@@H](Cl)C1 2230044669 SHWREWYTYQGCCQ-HLTSFMKQSA-N 493.530 7.357 50 10 JKGE COC[C@@H]1CC[C@@H]([C@H](Br)c2c(Br)cc(Cl)c(Cl)c2Cl)C1 2232512418 TWUDAFHJUTWHKI-RWYTXXIDSA-N 465.440 6.908 50 10 JKGE Cc1cc(Br)c([C@H](Br)c2cccc(Cl)c2Cl)c(C)c1Cl 2232527627 DVFYJACPUOZHAE-CYBMUJFWSA-N 457.420 7.510 50 10 JKGE Cc1ccc([C@H](Cl)c2scc(C(F)(F)F)c2Br)cc1I 2232832380 AOFJRZADPJEZFN-NSHDSACASA-N 495.529 6.771 50 10 JKGE CCc1nn(C)c([C@@H](Cl)c2cc(Br)c(Br)cc2F)c1Br 2233975940 MKRYWPPQWVMKGH-LBPRGKRZSA-N 489.408 5.737 50 10 JKGE Cc1cc(Br)c([C@H](Cl)c2nn(C)c(Cl)c2Cl)c(C)c1Br 2235614600 JKGYXSWCFNFCGS-JTQLQIEISA-N 461.412 6.197 50 10 JKGE Fc1cc([C@H](Br)Cc2ccc(Br)cc2Cl)c(F)cc1Br 2237450009 CQGMKLUAPQPMNY-SNVBAGLBSA-N 489.379 6.822 50 10 JKGE Clc1sc(Br)c(Cl)c1[C@H](Br)c1cocc1Br 2244216939 MTDXAWQZOOKTIX-ZCFIWIBFSA-N 469.807 6.657 50 10 JKGE Cl[C@H](Cc1cc(Br)cc(Br)c1)c1ccccc1OCc1ccccc1 2263518194 ARDBCMQWYCHLRR-HXUWFJFHSA-N 480.627 7.313 50 10 JKGE FC1CC2(C1)CC(CBr)(Cc1cc(Cl)ccc1I)C2 2272091253 VJRYTRZQGQJPGU-UHFFFAOYSA-N 457.552 5.781 50 10 JKGE COc1ccc([C@@H](Cl)c2cc(I)ccc2Br)c(C)c1C 2284515900 LRAHRZNBXRQIAU-MRXNPFEDSA-N 465.556 6.007 50 10 JKGE COc1ccc([C@H](Br)c2csc(C(F)(F)F)c2)cc1I 2285009641 PRLOUSLYHUTKMV-LBPRGKRZSA-N 477.083 5.864 50 10 JKGE COc1ccc([C@H](Br)C2(C(F)(F)F)CCCC2)cc1I 2285015633 ZNCBTNDPIJOHKI-LBPRGKRZSA-N 463.075 5.859 50 10 JKGE Cc1cc(Cl)c(Cl)cc1[C@H](Br)c1cc(C2CC2)c(Br)s1 2286457667 HIXNTVMTFHEINV-AWEZNQCLSA-N 455.042 7.488 50 10 JKGE COc1cc(C=C(C#N)C(=O)Nc2ncc(Cc3ccc(Cl)c(Cl)c3)s2)ccc1O 2293038443 CDUGWVOJSPFCOL-UHFFFAOYSA-N 460.342 5.301 50 10 JKGE CC(C)c1ccc(C=C(C#N)C(=O)Nc2nc(-c3cccc(Br)c3)cs2)cc1 2293198438 PIMKGXNJSYETSG-UHFFFAOYSA-N 452.377 6.242 50 10 JKGE COc1cc(NC=C(C#N)c2nc(-c3ccc(Cl)cc3Cl)cs2)c(OC)cc1Cl 2295891566 NYXABUQRTDDMAV-UHFFFAOYSA-N 466.777 6.764 50 10 JKGE COc1cc(C=C(C#N)C(=O)Nc2ccc(C)cc2)c(Br)cc1OCc1ccc(F)cc1 2313567031 BJRUWZQITLHODM-UHFFFAOYSA-N 495.348 6.030 50 10 JKGE COc1cc(C=C(C#N)C(=O)Nc2cccc(Cl)c2Cl)c(Br)cc1OC(C)=O 2313570618 BFGCGYYTNYYLCO-UHFFFAOYSA-N 484.133 5.235 50 10 JKGE COc1ccc(NC(=O)C(C#N)=Cc2cn(Cc3ccc(Br)cc3)c3ccccc23)cc1 2313667783 WNKQPEHEDQTPPZ-UHFFFAOYSA-N 486.369 6.006 50 10 JKGE COc1cc(C=C(C#N)C(=O)Nc2cc(Cl)ccc2C)cc(Br)c1OC(C)C 2313675666 IZXATDKZJVHLAV-UHFFFAOYSA-N 463.759 5.752 50 10 JKGE CCc1ccc(NC(=O)C(C#N)=Cc2ccc(OCc3ccc(Br)cc3)cc2)cc1 2313676754 AKJPLBNVQIZHEU-UHFFFAOYSA-N 461.359 6.136 50 10 JKGE CC(C)(C)c1ccc(C(=O)Nc2ccc(C(=O)NNC(=O)C=Cc3ccc(Cl)cc3)cc2)cc1 2313864523 RVXWBUZRNRDKOO-UHFFFAOYSA-N 475.976 5.364 50 10 JKGE Brc1ccc(OCc2ccccc2)c([C@@H](Br)[C@@H]2Cc3ccccc32)c1 2314446076 UWJITOAKHAXZKH-KNQAVFIVSA-N 458.193 6.804 50 10 JKGE Brc1ccc(OCc2ccccc2)c([C@H](Br)[C@@]23CCC[C@H]2OCC3)c1 2314451786 HXDCHCOKRDIWJO-QHAWAJNXSA-N 466.213 6.423 50 10 JKGE CCOC(=O)c1c(NC(=O)C(C#N)=Cc2ccc(-c3cccc(Cl)c3Cl)o2)sc(C)c1C 2314482314 HGLNZNYHRBPZPE-UHFFFAOYSA-N 489.380 6.654 50 10 JKGE Cc1ccc(-c2csc(C(C#N)=Cc3ccc(-c4cc(C(F)(F)F)ccc4Cl)o3)n2)cc1 2314482386 JVRLDUXUIUSQQV-UHFFFAOYSA-N 470.903 8.115 50 10 JKGE Brc1cc(OCc2ccccc2)ccc1[C@H](Br)[C@H]1CC2(CCC2)CO1 2314500029 JDTWEAQHOMKASJ-UXHICEINSA-N 466.213 6.423 50 10 JKGE N#CC(=Cc1ccc(-c2ccccc2Cl)o1)c1nc(-c2cc3ccccc3oc2=O)cs1 2314572038 RCUMFWGTGKFNFV-UHFFFAOYSA-N 456.910 6.894 50 10 JKGE CCc1ccc(N2C(=O)[C@H](Cc3ccccc3Cl)SC2=C(C#N)C(=O)Nc2ccccc2)cc1 2314593621 QAXFHJASDGCMIO-DEOSSOPVSA-N 488.012 5.967 50 10 JKGE Cn1cnc(Br)c1[C@H](Br)c1cc2sc(Br)cc2s1 2315627695 QESBCLLVHFQLEB-SECBINFHSA-N 471.037 5.706 50 10 JKGE N#CC(=Cc1ccc(OC(=O)c2ccc(S(=O)(=O)N3CCCCC3)cc2)cc1)c1ccccc1 2320507406 YAQJQLYGAHABSG-UHFFFAOYSA-N 472.566 5.145 50 10 JKGE CCOc1cc(C=NNC(=O)c2cccc(N)c2)ccc1OCc1ccc(Cl)cc1Cl 2323211474 DHEOBQABOMIBDS-UHFFFAOYSA-N 458.345 5.317 50 10 JKGE CC(C)(C)OC(=O)N1CCC[C@H]1C(=O)NN=Cc1ccccc1OCc1ccc(Cl)c(Cl)c1 2328829496 ROUVLXALTDATEC-FQEVSTJZSA-N 492.403 5.422 50 10 JKGE CC(C)(C)OC(=O)N1CCC[C@H]1C(=O)NN=Cc1cccc(OCc2ccc(Cl)c(Cl)c2)c1 2328829511 VTRVRAIVSZJLCF-NRFANRHFSA-N 492.403 5.422 50 10 JKGE CCCCc1ccc(N2C[C@@H](C(O)=C(C#N)c3nc(-c4ccc(C)c(C)c4)cs3)CC2=O)cc1 2331382677 UNBDCPXEHNJTGM-QFIPXVFZSA-N 471.626 6.615 50 10 JKGE CCOc1ccc(-c2csc(C(C#N)=Cc3cccc(OC)c3OCc3cccc(C)c3)n2)cc1 2331441102 YUCDRDSTPSCKQK-UHFFFAOYSA-N 482.605 7.169 50 10 JKGE COc1cc(C=C(C#N)c2nc(-c3ccc(F)cc3)cs2)ccc1OCc1ccc(C)cc1 2331459166 UDOSNLDOZYEXBM-UHFFFAOYSA-N 456.542 6.909 50 10 JKGE CCOc1ccc(OCC)c(-c2csc(C(C#N)=Cc3ccc(OCC)c(OCC)c3)n2)c1 2331470039 APEPXBXOBMZBLF-UHFFFAOYSA-N 464.587 6.469 50 10 JKGE Brc1cc(OCc2ccccc2)ccc1[C@@H](Br)[C@H]1OC[C@@H]2CCCC[C@H]12 2336084054 PSNUQTXPEXKEEB-BYZLFZLASA-N 480.240 6.669 50 10 JKGE Cn1cnc(Br)c1[C@H](Cl)c1c(Br)cc(Cl)c(Cl)c1Cl 2337275152 RMNWBXGOWJJKJF-SECBINFHSA-N 467.803 6.234 50 10 JKGE Cc1ccc([C@H](Cl)c2c(Br)c(Br)nn2C)c(C)c1Br 2338720853 ULUUCHJVBYWFAU-NSHDSACASA-N 471.418 5.653 50 10 JKGE Cc1cc(F)c([C@H](Br)c2c(Br)c(Br)nn2C)cc1F 2338723572 YPQUYNIKEUFWBZ-VIFPVBQESA-N 458.926 5.016 50 10 JKGE Cc1cc(Br)c(F)c(Br)c1[C@H](Br)[C@@H]1C[C@@H]1CC(C)C 2339650836 JRQBLWOJGDGTKN-OPQQBVKSSA-N 457.019 6.777 50 10 JKGE COc1c(Br)cc(C)c([C@H](Br)CC[C@H]2C[C@@H]2C)c1Br 2339680235 UUZDCXSFVXWTJY-INTQDDNPSA-N 455.028 6.401 50 10 JKGE CCCN[C@@H](c1c(C)cc(Br)c(F)c1Br)[C@@H]1C[C@H]1Br 2339682442 SERZABNVSVEKQK-RFXMVYNHSA-N 458.007 5.483 50 10 JKGE CCCO[C@@H]1[C@@H](Br)C[C@H]1OCc1c(Br)cccc1Br 2340568432 PZNSKYBLRZBCHO-BFHYXJOUSA-N 457.000 5.059 50 10 JKGE Cc1scc([C@H](Br)c2scc(C(F)(F)F)c2Br)c1Br 2343556422 IZWSLHDYONTJSX-QMMMGPOBSA-N 499.009 7.146 50 10 JKGE COc1cc(Cl)c([C@@H](Br)c2csc(C)c2Br)cc1Br 2343567265 VXDDZMFNAFQMNI-CYBMUJFWSA-N 489.454 6.728 50 10 JKGE C[C@@H](Cl)c1nc2cc(I)c(F)cc2n1[C@]12C[C@H]1CN(Cc1ccccc1)C2 2354212621 TWRGABPLBFCUMP-CGSMKXTHSA-N 495.767 5.311 50 10 JKGE C[C@@H](Cl)c1nc2cc(Cl)c(Br)cc2n1[C@]12C[C@H]1CN(Cc1ccccc1)C2 2355109291 BHGQGWZIKNWIJY-CGSMKXTHSA-N 465.222 5.983 50 10 JKGE Cc1cc(Br)c(C)c([C@H](Br)[C@H]2CC[C@@H]3[C@H]2C3(F)F)c1Br 2357917194 WVLULHMJRJHATI-OPGJCSGMSA-N 472.993 6.556 50 10 JKGE Fc1cc(CBr)c(N2[C@H]3CCC[C@H]2CN(Cc2ccccc2)CC3)cc1Cl 2362394562 NUKUVXPHQJPQGJ-OALUTQOASA-N 451.811 6.007 50 10 JKGE CC[C@@H](C)c1ccc([C@H](Br)c2c(Br)c(Br)nn2C)cc1 2364062881 DBHPFZWNBCMJHM-SKDRFNHKSA-N 465.027 5.943 50 10 JKGE C[C@@](CBr)(OCc1c(Br)cccc1Br)c1ccccc1 2366183682 YNWCJRYXLSXJNR-INIZCTEOSA-N 463.007 6.039 50 10 JKGE Clc1cc(Cl)cc(CC[C@H](Br)c2cccc(Br)c2Cl)c1 2366889258 VDBHQXUATJRFNX-ZDUSSCGKSA-N 457.420 7.478 50 10 JKGE CCc1cc(Br)c(OC)c([C@@H](Br)c2cn(C)nc2Br)c1 2381233731 DMXLIZVEHUVECQ-GFCCVEGCSA-N 466.999 5.000 50 10 JKGE CC(=O)C1=C(C)NC(SCC(=O)c2ccc(F)cc2)=C(C#N)[C@@H]1c1ccc(Br)cc1 1199340 DYKBKBQZLZMXFI-QFIPXVFZSA-N 485.378 5.489 50 10 JKGE COc1ccc(C=NNC(=O)[C@H]2C[C@@H]2c2ccc(C(C)(C)C)cc2)cc1CSCc1ccco1 8456129 BTWZRGKWCWWHCQ-RPBOFIJWSA-N 476.642 6.273 50 10 JKGE CCOc1ccc(S(=O)(=O)Nc2ccc(C(=O)N/N=C3\C[C@@H](C)CCC3=C(C)C)cc2)cc1 12499308 HHAGPPBFEAXQLG-DRZMJXGJSA-N 469.607 5.128 50 10 JKGE Cc1ccc(N2C(=O)[C@H](Cc3ccccc3C)S/C2=C(\C#N)C(=O)Nc2ccccc2)cc1 16739836 RSJUMUKSVXJTMQ-BSSRNLCFSA-N 453.567 5.368 50 10 JKGE CCOC(=O)/C(C#N)=C\c1ccc(OC(=O)c2ccccc2CCc2ccccc2)c(OC)c1 33285790 GULJFWWDZPCDTP-QJOMJCCJSA-N 455.510 5.170 50 10 JKGE N#C/C(C(=O)NCc1ccccc1)=C1\S[C@H](Cc2cccc(Cl)c2)C(=O)N1c1ccc(F)cc1 33733429 KHADTKVHOWSOBV-QPQMVVSWSA-N 491.975 5.222 50 10 JKGE C=CCNC(=O)/C(C#N)=C/c1cn(-c2ccccc2)nc1-c1cccc(OCc2ccccc2F)c1 35446223 NIUJFMHWDGNRQR-XQNSMLJCSA-N 478.527 5.467 50 10 JKGE CCCCN1C(=O)N[C@@H](c2cccc(NC(=O)[C@@H](C)Cl)c2)C(C(=O)OCC)=C1c1ccccc1 35710834 VGCWDBDTVIRNDM-VGSWGCGISA-N 483.996 5.093 50 10 JKGE C[C@H](Oc1ccc(F)cc1)C(=O)Oc1ccc2c(c1)OC(N)=C(C#N)[C@H]2c1ccc(C(C)(C)C)cc1 38649807 CNRYWLZCXOFBAW-QLXKLKPCSA-N 486.543 5.714 50 10 JKGE Cc1c(C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@@H]3c2ccc(Cl)cc2)oc2ccccc12 38687765 VWBQMDOOKNSTQA-HSZRJFAPSA-N 456.885 5.832 50 10 JKGE N#CC1=C(N)Oc2cc(OC(=O)c3sc4cccc(Cl)c4c3Cl)ccc2[C@@H]1c1cccs1 38688367 AQIFEWGJHKUYIQ-SFHVURJKSA-N 499.400 6.707 50 10 JKGE Cc1cc(OCC(=O)N/N=C/c2ccc(Cl)cc2Cl)c(C(C)C)cc1Br 40902849 FBUSVWGOLKGNDT-NUGSKGIGSA-N 458.183 5.717 50 10 JKGE COc1cc(/C=N/NC(=O)COc2cc(Cl)ccc2Cl)ccc1OCc1ccc(C)cc1 40911163 GSLPMUHQHJLRSE-UVHMKAGCSA-N 473.356 5.419 50 10 JKGE CCCOc1ccc(Br)cc1/C=N/NC(=O)CSc1nc(-c2ccccc2)cs1 40924557 ZPUFXZQWDNXNJT-FSJBWODESA-N 490.448 5.604 50 10 JKGE N#C/C(=C\c1ccc(-c2ccc(C34CC5CC(CC(C5)C3)C4)cc2[N+](=O)[O-])o1)c1ccc([N+](=O)[O-])cc1 58832898 FVPKOPZCVVBCIG-WSDLNYQXSA-N 495.535 7.295 50 10 JKGE COc1cc(/C=C(/C#N)C(=O)Nc2ccc(C)cc2)cc(Br)c1OCc1ccccc1F 59335371 MDKVEIGSUIEUDS-ODLFYWEKSA-N 495.348 6.030 50 10 JKGE CCn1c2ccccc2c2cc(N/C=C(/C#N)c3nc(-c4cccc(OC)c4)cs3)ccc21 102420783 WMQNRXOAPZESLD-MNDPQUGUSA-N 450.567 6.923 50 10 JKGE CCc1ccccc1N/C(SCc1ccccc1F)=C(\C#N)S(=O)(=O)c1ccccc1 104689139 MJNRAURKTIENIT-VHXPQNKSSA-N 452.576 5.900 50 10 JKGE Oc1ccc2ccccc2c1/C=N\CCSSCC/N=C/c1c(O)ccc2ccccc12 105895152 MTAGTEICODASJG-HJVIKEODSA-N 460.624 6.324 50 10 JKGE FC(F)(F)c1ccccc1[C@H](Br)c1cc(Br)ccc1Br 109844883 BNEIKLKTTHWCFJ-ZDUSSCGKSA-N 472.924 6.715 50 10 JKGE COc1ccc(Cl)cc1[C@@H](Br)c1cc(Br)c(C)cc1Br 128751285 NGJUSACWLWOMAV-HNNXBMFYSA-N 483.425 6.666 50 10 JKGE CCOc1ccccc1[C@@H](Br)c1cc(Br)c(C)cc1Br 128791158 MQPPTOABEWAWMQ-MRXNPFEDSA-N 463.007 6.403 50 10 JKGE Cl[C@H](c1cc(Br)ccc1Br)c1csc2c(Br)cccc12 161116158 GKUNQRHQUKRNPL-CQSZACIVSA-N 495.461 7.517 50 10 JKGE CC(C)(C)[Si](C)(C)OCc1oc(=O)c2cc(OCc3ccccc3)ccc2c1Br 170025222 JBXPYKWOUHIWHW-UHFFFAOYSA-N 475.455 6.656 50 10 JKGE COc1ccc([C@@H](Br)c2ccc(Cl)cc2Cl)c(OC)c1Br 224850590 CLEGLLYBGZQHHO-ZDUSSCGKSA-N 454.973 6.257 50 10 JKGE Cc1c(Br)cccc1[C@@H](Br)c1cc(Br)c(Cl)s1 227849069 DKGSMRXUUUJVKD-LLVKDONJSA-N 459.428 6.719 50 10 JKGE Fc1ccc(Br)cc1[C@H](Br)c1cc(Br)cc2c1OCC2 228442658 JFJMKXHVCBDHTR-AWEZNQCLSA-N 464.954 5.770 50 10 JKGE CCc1ccc([C@H](Cl)c2cc(Br)ccc2I)cc1CC 234170483 WSNXWRDBCVWTCS-KRWDZBQOSA-N 463.584 6.507 50 10 JKGE C[C@@H](Cl)c1ccccc1NC(=O)c1cc(I)ccc1Br 235138478 KCFGQMURUOOVJY-SECBINFHSA-N 464.528 5.606 50 10 JKGE Clc1cccc(C[C@H](Cl)c2cc(I)ccc2Br)c1 236020164 HEMZKZRNBLQATP-AWEZNQCLSA-N 455.948 6.230 50 10 JKGE CC(=NNC(=O)c1ccc(C)s1)c1cccc(NC(=O)COc2ccc(Cl)cc2C)c1 252641122 ZAAAZACELDYEIA-UHFFFAOYSA-N 455.967 5.190 50 10 JKGE aggregator BrCc1ccc(Br)cc1N1C[C@@H]2CCN(Cc3ccccc3)C[C@@H]2C1 310795888 ACWLLXBQEGHGMH-RBUKOAKNSA-N 464.245 5.302 50 10 JKGE Cc1ccc([C@@H](Br)c2c(C)cc(C)c(Br)c2C)cc1Br 380062559 VUTOPDAXZOSLKU-QGZVFWFLSA-N 461.035 6.930 50 10 JKGE Brc1cc([C@@H](Br)c2csc3c2CCCC3)sc1Br 399819127 CABLFPCKRXJKIT-LBPRGKRZSA-N 471.077 6.698 50 10 JKGE Clc1ccc(P(c2ccccc2)c2ccccc2P(C2=C[CH-][CH-]C=C2)c2ccccc2)cc1 642880643 FWKGMMZFHZNYLW-UHFFFAOYSA-N 480.915 6.393 50 10 JKGE COCc1cc(Br)c([C@@H](Br)c2ccc(Br)s2)s1 688079184 NCYDTCXSNSEXDY-JTQLQIEISA-N 461.038 5.965 50 10 JKGE Clc1ccc(C(CBr)(CBr)Cc2sncc2Br)cc1 719877520 CAPYFKAZOGVHAB-UHFFFAOYSA-N 488.470 5.829 50 10 JKGE Cc1sc([C@H](Br)c2cc(F)ccc2Br)c(C)c1Br 724929607 YJIUPNQFSQGVLP-GFCCVEGCSA-N 457.000 6.513 50 10 JKGE Cc1nn(-c2ccccc2)c(N(C2CCCCC2)C2CCCCC2)c1C=NNC(=O)c1ccncc1 1083991831 XBQAYWPCQFNFFD-UHFFFAOYSA-N 484.648 5.811 50 10 JKGE COc1cc(C=NNC(=O)c2cc3ccccc3o2)cc(Cl)c1OCc1ccc(F)cc1 1084088344 OPACJLYMULXSPW-UHFFFAOYSA-N 452.869 5.577 50 10 JKGE CCOc1cc(C=NNC(=O)c2cccc(C(F)(F)F)c2)ccc1OCc1ccc(F)cc1 1084391446 UJVLEPSUOOXJOA-UHFFFAOYSA-N 460.427 5.586 50 10 JKGE CC(=O)O[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC[C@@H]4C[C@H](O[Si](C)(C)C(C)(C)C)CC[C@]4(C)[C@H]3CC[C@]12C 1848433085 JIKCTGXXBPMVJB-FSPIGDSESA-N 476.818 7.987 50 10 JKGE N#CSc1ccc(NC(=O)C2CCN(C(=O)CCCOc3ccc(Cl)cc3Cl)CC2)cc1 1860594873 RUTRQMKYOWAJOF-UHFFFAOYSA-N 492.428 5.603 50 10 JKGE COc1ccc(-c2nn(Cc3ccc(C)cc3)c3c2[C@H](c2ccccc2Cl)C(C#N)=C(N)O3)cc1 1865686150 RYEYKGPWYDDGSF-XMMPIXPASA-N 482.971 5.787 50 10 JKGE CCCc1nn(-c2ccccc2)c2c1[C@H](c1ccc(OCc3ccccc3)c(OC)c1)C(C#N)=C(N)O2 1865687606 VUQCSKZLDBTNGQ-HHHXNRCGSA-N 492.579 5.631 50 10 JKGE CCCc1nn(-c2cccc3ccccc23)c2c1[C@@H](c1cc(Cl)ccc1O)C(C#N)=C(N)O2 1865689133 KUXRJSFVNIBGNB-QHCPKHFHSA-N 456.933 5.555 50 10 JKGE CCOc1cc([C@@H]2C(C#N)=C(N)Oc3c2c(CC)nn3-c2ccccc2)ccc1OCc1ccccc1 1865693163 HUHJQLJFYXBUBX-HHHXNRCGSA-N 492.579 5.631 50 10 JKGE CCCCCOc1ccc([C@H]2C(C#N)=C(N)Oc3c2c(CC)nn3Cc2ccc(Cl)cc2)cc1 1865693436 OMHQWFILFMVCQQ-DEOSSOPVSA-N 477.008 5.934 50 10 JKGE CCCCCOc1ccc([C@H]2C(C#N)=C(N)Oc3c2c(-c2ccccc2)nn3CC)cc1OC 1865696351 ZKHRTTWREQCUCM-QHCPKHFHSA-N 458.562 5.366 50 10 JKGE COc1cccc([C@H]2C(C#N)=C(N)Oc3c2c(-c2ccccc2)nn3-c2ccc(Br)cc2)c1 1865712285 UWSSULHCJIUCNX-QFIPXVFZSA-N 499.368 5.529 50 10 JKGE CC[C@](C)(NC(=O)[C@@H](c1ccc(Br)cc1)C(C)C)C(=O)Nc1ccc(SC#N)cc1 1866975107 VXJDTYUDYXKDOA-OFNKIYASSA-N 488.451 5.685 50 10 JKGE CCn1c(/C(C#N)=C/c2cccc(OC)c2OCc2ccc(Br)cc2)nc2ccccc21 1872730985 PQVWAYIJKRQFNB-HMMYKYKNSA-N 488.385 6.470 50 10 JKGE COc1ccc(-c2csc(/C(C#N)=C(\O)[C@@H]3CC(=O)N([C@H](C)c4ccccc4)C3)n2)cc1OC 1872745410 LXLJEKFQLIYHCQ-DPHYRHQSSA-N 475.570 5.230 50 10 JKGE COc1ccccc1-c1csc(/C(C#N)=C(\O)c2ccc3c(c2)C(=O)N(CC(C)C)C3=O)n1 1872747242 UFALTCGHBPZGBA-QOCHGBHMSA-N 459.527 5.021 50 10 JKGE N#C/C(=C(/O)c1cc(S(=O)(=O)N2CCCCC2)ccc1Cl)c1nc(-c2cccs2)cs1 1872750204 BHRRYMMRPGMDMB-SILNSSARSA-N 492.047 5.649 50 10 JKGE CC(C)(C)c1ccc(-c2csc(/C(C#N)=C(\O)CCN3C(=O)c4ccccc4C3=O)n2)cc1 1872751184 VKQGUNPYPQAJTG-XDOYNYLZSA-N 457.555 5.587 50 10 JKGE N#C/C(=C\c1cc(Br)cc(Br)c1O)c1nc(-c2cccc(Cl)c2)cs1 1872790250 UXIPVBFGXLLWRL-UUILKARUSA-N 496.611 6.758 50 10 JKGE Cc1cc(-c2csc(/C(C#N)=C/c3c(OCc4ccccc4)ccc4ccccc34)n2)ccc1F 1872791124 WYGRQQNLCBIAJV-LFVJCYFKSA-N 476.576 8.054 50 10 JKGE Cc1ccc(C(C)(C)C)cc1-c1csc(/C(C#N)=C/c2cc(Br)ccc2O)n1 1872794210 PDMCMHAOBUGTPX-CXUHLZMHSA-N 453.405 6.948 50 10 JKGE CCOc1c(/C=C(\C#N)c2nc(-c3ccc(OC)c(OC)c3OC)cs2)cccc1OC 1872795027 JAEGBALEQDGIME-FOWTUZBSSA-N 452.532 5.307 50 10 JKGE C[C@H](CCBr)N(Cc1ccccc1)c1ncc(Br)cc1Br 1915069531 LMIZZJNXCRCKPF-GFCCVEGCSA-N 477.038 5.787 50 10 JKGE CC[C@H](Cl)CN(Cc1ccccc1)C(=O)c1scc(Br)c1Br 1915079795 GJJFLMUBKVVJKG-LBPRGKRZSA-N 465.638 5.933 50 10 JKGE C[C@@H](CCBr)N(Cc1ccccc1)C(=O)c1ccccc1OCc1ccccc1 1915090004 GORGFZCXBPSCFZ-FQEVSTJZSA-N 452.392 6.082 50 10 JKGE Cc1cc(Cl)cc([C@H](Br)c2sc(Br)cc2Br)c1 1922935254 NWSYJCXXFKPOOK-NSHDSACASA-N 459.428 6.719 50 10 JKGE Cc1c(Br)sc([C@@H](Cl)c2cc(F)cc(Br)c2)c1Br 1922945346 FMCPVWIUGFDJAW-JTQLQIEISA-N 477.418 6.811 50 10 JKGE Clc1csc([C@H](Cl)c2c(Br)sc(Br)c2Cl)c1Cl 1923054454 FVXLVGKPIGSXSH-RXMQYKEDSA-N 475.869 7.623 50 10 JKGE Clc1c(Br)sc(Br)c1[C@@H](Cl)c1cc2cscc2s1 1923066223 NCIPOJCIVAXMQD-QMMMGPOBSA-N 463.068 7.531 50 10 JKGE Fc1ccc([C@H](Cl)c2c(Br)sc(Br)c2Cl)c(F)c1F 1923066705 TZLSMIOJCMLHJO-LURJTMIESA-N 454.920 6.672 50 10 JKGE Cl[C@@H](C[C@H]1CC[C@@H]2C[C@H]12)c1c(Br)sc(Br)c1Br 1924613124 GLHYIPXXFRQENF-NGJRWZKOSA-N 463.460 6.752 50 10 JKGE Clc1sc(Cl)c([C@H](Cl)c2scc(Br)c2Br)c1Cl 1925617391 IDFMUEUUHKTRTI-YFKPBYRVSA-N 475.869 7.623 50 10 JKGE C[C@]1(CI)CC[C@@H](c2cc(Br)ccc2Br)O1 1935888814 IIIUBTPPXPKFNB-NWDGAFQWSA-N 459.947 5.257 50 10 JKGE ClCc1nc2cc(I)ccc2n1[C@@H]1CC[C@@H]1OCc1ccccc1 1950410606 ZPPCQSCGOZSGHD-MSOLQXFVSA-N 452.723 5.300 50 10 JKGE CC(C)(CCCC[C@H]1CCSS1)[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)O 1952498187 MUIXUSRPYUCUCM-MHECFPHRSA-N 499.698 6.719 50 10 JKGE CC(C)[C@@H](CBr)N(Cc1ccccc1)Cc1ncc(Br)cc1Cl 1986200132 BKRXGBPJSMXCSK-GOSISDBHSA-N 460.641 5.919 50 10 JKGE CCc1nc([C@H](Br)c2cc(Br)sc2C)c(Br)s1 2003570724 VAOQASSHYOMLJJ-SECBINFHSA-N 460.054 6.085 50 10 JKGE C[C@@H]1OC2([C@H](Cl)c3c(Br)sc(Br)c3Br)CC1C2 2017754099 BSJDQFXRUBLJKX-WWJNBCINSA-N 465.432 5.883 50 10 JKGE Fc1cnccc1C[C@@H](Br)c1cc(Br)ccc1I 2033936970 YKYYBGXPQMVCPL-LLVKDONJSA-N 484.932 5.267 50 10 JKGE C[C@H]1C[C@H](N(C)c2c(CBr)ccc(Br)c2Cl)CN1Cc1ccccc1 2037329414 SOFGUYGMCLFTBL-YOEHRIQHSA-N 486.679 6.097 50 10 JKGE FC12CCC([C@H](Br)c3c(Br)sc(Br)c3Cl)(CC1)C2 2039756218 RQEBOSPBUYSWHH-HUUUCTMMSA-N 481.450 7.035 50 10 JKGE Clc1c(Br)cccc1Oc1ccc(CBr)c(Br)c1 2040201939 BXEXMKQXAAYQDG-UHFFFAOYSA-N 455.371 6.552 50 10 JKGE Cn1c(C(C#N)=Cc2cn(-c3ccccc3)nc2-c2cc3ccccc3oc2=O)nc2ccccc21 2040458919 LOFKVLBCRWYXFH-UHFFFAOYSA-N 469.504 5.597 50 10 JKGE FC(F)(F)CC1([C@H](Cl)c2c(Br)sc(Br)c2Br)CC1 2056619632 VQXIKXKOYCTVMU-ZCFIWIBFSA-N 491.392 7.048 50 10 JKGE COc1c(C)cc(Br)cc1[C@@H](Br)c1sncc1Br 2085631382 QKOUAQWZCHBBMS-SNVBAGLBSA-N 455.997 5.469 50 10 JKGE Cc1cc(Br)c([C@H](Br)C2C[C@H]3[C@H](C2)C3(C)C)cc1Br 2093575222 JNNPVUDINWKVMY-SLEUVZQESA-N 451.040 6.638 50 10 JKGE Cc1cc(Br)c([C@H](Br)[C@@]23COC[C@@H]2C3(F)F)cc1Br 2105468768 JTBUHFJQADUTPX-SDDRHHMPSA-N 460.938 5.238 50 10 JKGE Fc1c(Br)ccc(Cl)c1C[C@@H](Br)c1ccc(Br)cc1 2122153899 PDWUGYXZHABTHG-GFCCVEGCSA-N 471.389 6.683 50 10 JKGE CN(c1cccc(Br)c1CBr)[C@@H]1C[C@@H]2C[C@H](OCc3ccccc3)C[C@@H]21 2134020944 YUUUFYJHGMTZRM-VDNWNZSNSA-N 479.256 6.164 50 10 JKGE COc1cc(Cl)c([C@H](Cl)c2cccc(OCc3ccccc3)c2)cc1Br 2137637526 OODNVTDTJPYISX-OAQYLSRUSA-N 452.175 7.018 50 10 JKGE Cc1c(Br)ccc([C@H](Cl)c2cccc(Br)c2F)c1Br 2138867621 XTXWXPQTSYMBAK-ZDUSSCGKSA-N 471.389 6.750 50 10 JKGE Cc1cc([C@@H](Br)c2cc(Cl)c(F)cc2Cl)ccc1I 2142102772 AUDSXYRMOAPWBB-CQSZACIVSA-N 473.938 6.530 50 10 JKGE CCCC[C@@H](C)CC[C@H](Br)c1ccc(Br)c(C)c1Br 2142172132 TUNPGHQMGVCPGX-ABAIWWIYSA-N 455.072 7.563 50 10 JKGE CC[C@@H](C)c1ccc([C@@H](Br)c2cccc(Br)c2Br)cc1 2148751990 RUSIGOJMSIQVLS-BDJLRTHQSA-N 461.035 7.209 50 10 JKGE CC[C@@](C)(Cn1c(CCl)nc2cc(Br)c(Cl)cc21)N(C)Cc1ccccc1 2159874148 NGILLVYDDRVEGG-NRFANRHFSA-N 469.254 6.492 50 10 JKGE Clc1cc(Cl)c(OCc2ccc(Cl)c(Br)c2)c(CBr)c1 2166831099 WMMFCXHQOYZNDV-UHFFFAOYSA-N 459.392 6.883 50 10 JKGE Fc1ccc(I)cc1[C@H](Cl)c1c(Br)cc(F)c(F)c1F 2169661714 JXJJFDIDXYKDFH-NSHDSACASA-N 479.436 5.938 50 10 JKGE Cc1cc(Br)c(C)c([C@@H](Br)C2CC(CC3CC3)C2)c1Br 2201077840 LUAWFTOLGPTHIU-FVKWTLKZSA-N 465.067 7.091 50 10 JKGE COc1c(Br)cc(C)cc1[C@H](Br)c1c(C)cccc1Br 2203830429 QCHPDKBTONCCSX-HNNXBMFYSA-N 463.007 6.321 50 10 JKGE FC(F)(F)[C@@H]1CC[C@H]1[C@H](Br)c1cc(Br)sc1Br 2212879760 RMXUAEPWCYPPPI-DVZGVGDCSA-N 456.947 6.298 50 10 JKGE Clc1cc(Cl)cc(C[C@@H](Br)c2csc(Br)c2Br)c1 2223996570 MMTIQMJHHSGCKN-SNVBAGLBSA-N 493.873 7.259 50 10 JKGE C[C@@H]1CCC[C@H]([C@@H](Br)c2c(Br)cc(Cl)c(Cl)c2Cl)CC1 2232529661 YIQPHIBQVBEOMB-VYUIOLGVSA-N 463.468 8.062 50 10 JKGE CC1(C)[C@@H]2CC([C@H](Br)c3c(Br)cc(Cl)c(Cl)c3Cl)C[C@H]21 2232530363 QXCPROBTSDFYIS-RWYTXXIDSA-N 461.452 7.528 50 10 JKGE Brc1cccc([C@H](Br)Cc2cc(Br)nn2CC2CC2)c1 2233308985 WTIQCDWSXDGHNG-CQSZACIVSA-N 463.011 5.497 50 10 JKGE Brc1ccc(CN2CC[C@@H]3[C@@H](Br)CCC[C@H]3C2)c(Br)c1 2233856340 XOYOQHLGLYDGKT-CQDKDKBSSA-N 466.055 5.597 50 10 JKGE Cc1cc(Br)c([C@@H](Cl)c2sc(C)c(Br)c2C)c(C)c1Cl 2234471198 PIPXZHVFHMWYRI-CQSZACIVSA-N 457.058 7.488 50 10 JKGE CCO[C@@H]1CC[C@H]([C@H](Br)c2c(Br)cc(C)c(Br)c2C)C1 2235605247 QTNSTCBPESPEFM-OZVIIMIRSA-N 469.055 6.470 50 10 JKGE Cc1c(Cl)cc([C@H](Cl)Cc2ccc(Br)cc2Cl)cc1Br 2237458554 QUTDNJXELOGKDH-CQSZACIVSA-N 457.420 7.349 50 10 JKGE COc1cc(F)c([C@H](Br)c2sc(C)c(C)c2Br)cc1Br 2237631985 RCGKVFUNHRNUTJ-ZDUSSCGKSA-N 487.026 6.522 50 10 JKGE C[C@@H](Cl)c1nc2cnccc2n1-c1ccc(Br)cc1I 2240012327 RPTBKGLJPMCABW-MRVPVSSYSA-N 462.516 5.087 50 10 JKGE Clc1cc([C@@H](Br)Cc2cc(Br)cc(Br)c2)c(Cl)s1 2263451260 VXVUGCMVMNBTMM-JTQLQIEISA-N 493.873 7.259 50 10 JKGE Cc1cc(Br)c([C@H](Br)[C@]23CCC[C@@H]2CC3)c(C)c1Br 2273374251 ZVZRWOUYYPAMMU-RLCCDNCMSA-N 451.040 6.845 50 10 JKGE Cc1cc(Br)ccc1[C@@H](Br)c1c(Br)cc(C)c(F)c1C 2279143383 BQENGVUMLKARMX-OAHLLOKOSA-N 464.998 6.760 50 10 JKGE Cc1cc(Br)c([C@@H](Cl)c2cc(Cl)c(Cl)cc2C)cc1Br 2286459008 SBIQJBDVKDBSMR-HNNXBMFYSA-N 457.420 7.463 50 10 JKGE FCC12CC([C@@H](Br)c3c(F)cc(Br)c(F)c3Br)(CO1)C2 2288348002 ALOAAQFUEUJOEM-HIFPTAJRSA-N 478.928 5.445 50 10 JKGE Fc1cc(Br)c(F)c(Br)c1[C@@H](Br)C12CCCC1CCC2 2288361222 AMYBDXHFXOIVTP-OOCCNLOMSA-N 472.993 6.896 50 10 JKGE CS(=O)(=O)c1cscc1[C@H](Cl)Cc1cc(Br)cc(Br)c1 2295335757 NUQBWGTYIICLGX-GFCCVEGCSA-N 458.624 5.199 50 10 JKGE C=CCOc1ccc(Br)cc1C=C(C#N)C(=O)Nc1cc(Cl)cc(Cl)c1 2295459710 PRAXDCVDIKBYGC-UHFFFAOYSA-N 452.135 5.866 50 10 JKGE CCC(CC)(CC)[C@H](Br)c1ccc(OCc2ccccc2)cc1Br 2299499801 ZZVYWAFUOLAXTD-HXUWFJFHSA-N 454.246 7.681 50 10 JKGE FC1(F)CC[C@@H]2[C@H]([C@H](Br)c3sc(Cl)cc3I)[C@H]21 2300954534 ZBHWZUQJZDTTPY-VIJCPXHPSA-N 453.517 5.733 50 10 JKGE BrC[C@H](COc1cc(Br)cc(I)c1)C1CCC1 2301129930 PPSMGLHXQVNVNS-SNVBAGLBSA-N 473.974 5.244 50 10 JKGE O=C(N[C@@H](CCBr)COCc1ccccc1)c1cccc(Br)c1Cl 2303545619 UUQCFJXEPOZACN-AWEZNQCLSA-N 475.608 5.203 50 10 JKGE FC1(F)CCC[C@@H]2[C@@H]([C@H](Br)c3cc(Br)sc3Br)[C@@H]21 2309460066 TWTCPYRPMCEPSZ-UUOKUNOPSA-N 464.995 6.391 50 10 JKGE COC(=O)c1ccccc1-n1c(C)cc(C=C(C#N)C(=O)Nc2cccc(Cl)c2Cl)c1C 2313571369 UQBNZFPOTMLQTL-UHFFFAOYSA-N 468.340 5.733 50 10 JKGE N#CC(=Cc1ccc(OC(=O)c2cccc3ccccc23)cc1)C(=O)Nc1cc(Cl)ccc1Cl 2313631877 XUTOWPFIRSUZAF-UHFFFAOYSA-N 487.342 6.911 50 10 JKGE CCOc1ccc(NC(=O)C(C#N)=Cc2ccc(OCc3ccc(C)cc3)c(OCC)c2)cc1 2313675797 UHRCZCNUMOFWLG-UHFFFAOYSA-N 456.542 5.917 50 10 JKGE Cc1cccn2c(=O)c(C=C(C#N)C(=O)Nc3cccc(C(F)(F)F)c3)c(Oc3ccccc3)nc12 2314531483 BIAWIBIXZJDKFU-UHFFFAOYSA-N 490.441 5.360 50 10 JKGE C=CCOc1ccc(-c2nn(-c3ccccc3)cc2C=C2C(=O)N(CC=C)C(=O)C(C#N)=C2C)cc1C 2314617523 ZUXMYUFQLALKNE-UHFFFAOYSA-N 490.563 5.191 50 10 JKGE COc1cc(C=C(C#N)c2ccc(Cl)cc2)ccc1OC(=O)[C@H](C)N1C(=O)c2ccccc2C1=O 2314717289 YYONWZPXXAGEFN-INIZCTEOSA-N 486.911 5.003 50 10 JKGE C[C@]12C[C@H](C1)[C@@H]([C@H](Cl)c1c(Br)sc(Br)c1Br)CO2 2315930016 SOFJCXFPMGBWRN-UWZHDKSYSA-N 479.459 6.131 50 10 JKGE CCCc1sc(Br)cc1[C@@H](Br)c1cc(C)c(Br)o1 2316187418 OSPLBPUOXURQKB-GFCCVEGCSA-N 457.025 6.611 50 10 JKGE CCc1cc(Br)c([C@H](Cl)c2ccc(Cl)cc2I)s1 2317774878 SQEFCGWRLWKMKS-GFCCVEGCSA-N 476.004 6.659 50 10 JKGE COc1cc(C=C(C#N)c2ccccc2F)ccc1OC(=O)c1ccc(Br)cc1 2318356326 RMENITQWNOQVLC-UHFFFAOYSA-N 452.279 5.880 50 10 JKGE CCOc1cc(C=NNC(=O)Cc2ccc(Cl)cc2)ccc1OCc1cccc(Cl)c1 2318415463 QVAQFUNVEIARPY-UHFFFAOYSA-N 457.357 5.664 50 10 JKGE Cc1cccc(C(C)C)c1NC=C(C#N)C(=O)N1CCN(C(c2ccccc2)c2ccccc2)CC1 2318454542 AXDSPDIVRMEMKN-UHFFFAOYSA-N 478.640 5.872 50 10 JKGE N#CC(=CNc1ccc(Cl)cc1C(F)(F)F)C(=O)Nc1ccc(Oc2ccccc2)cc1 2325141398 NJOTWJTZZKDGGW-UHFFFAOYSA-N 457.839 6.609 50 10 JKGE C[C@@H]1CC=CC[C@@]1(CBr)Cc1ccc(I)c(Br)c1 2325217286 CLWDVTQLNBRAPL-ABAIWWIYSA-N 484.013 5.964 50 10 JKGE N#CC(=Cc1ccc(OCc2ccc(Br)cc2)cc1)S(=O)(=O)c1ccccc1 2331030358 HEPLTJNAJZNJGY-UHFFFAOYSA-N 454.345 5.366 50 10 JKGE COc1ccc(OCC(O)=C(C#N)c2nc(-c3ccc(OC)c(OC)c3)cs2)c(C(C)(C)C)c1 2331242486 HPXUQPPQDSHRKD-UHFFFAOYSA-N 480.586 6.005 50 10 JKGE N#CC(=C(O)CCCN1C(=O)c2ccccc2C1=O)c1nc(-c2ccc(Cl)cc2Cl)cs1 2331250921 AJXRNRSWYHKVHO-UHFFFAOYSA-N 484.364 5.986 50 10 JKGE COc1ccc(-c2csc(C(C#N)=C(O)c3c(Cl)ccc(Cl)c3Cl)n2)cc1C 2331259859 LKSRLCRYQMFXLB-UHFFFAOYSA-N 451.762 7.037 50 10 JKGE COc1ccc(-c2csc(C(C#N)=C(O)c3c(Cl)ccc(Cl)c3Cl)n2)cc1F 2331336090 MJPJCTHXRAZMNG-UHFFFAOYSA-N 455.725 6.868 50 10 JKGE CCOc1ccc(OCC)c(-c2csc(C(C#N)=C(O)C=Cc3ccc(OCC)c(OC)c3)n2)c1 2331376596 WLCWIEABFUPWMU-UHFFFAOYSA-N 492.597 6.521 50 10 JKGE N#CC(=Cc1ccccc1OCc1ccccc1Cl)c1nc(-c2ccc(Cl)cc2)cs1 2331440077 XSIILMXSZJQZBG-UHFFFAOYSA-N 463.389 7.760 50 10 JKGE COc1cccc(C=C(C#N)c2nc(-c3ccc(Cl)cc3)cs2)c1OCc1cccc(C)c1 2331440079 YAQWGFYUKSEVHO-UHFFFAOYSA-N 472.997 7.424 50 10 JKGE COc1cc(Cl)c(C)cc1-c1csc(C(C#N)=Cc2cccc(OCc3ccccc3)c2)n1 2331474774 JOXAPUPZZXFOEZ-UHFFFAOYSA-N 472.997 7.424 50 10 JKGE COc1cccc(C=C(C#N)c2nc(-c3ccc(Cl)s3)cs2)c1OCc1cccc(C)c1 2331485126 UDXQLQFSGAAWKM-UHFFFAOYSA-N 479.026 7.485 50 10 JKGE C[C@]1([C@H](Br)c2ccc(OCc3ccccc3)cc2Br)CCCCC1(F)F 2336077077 FECHVUKLNTYEKC-WOJBJXKFSA-N 488.210 7.680 50 10 JKGE C[C@]1(C(F)(F)F)C[C@]1(CBr)Cc1ccc(Cl)c(I)c1 2337223834 RLYLPKSSNNCMCT-RYUDHWBXSA-N 467.494 5.841 50 10 JKGE CC(C)(C)OC(=O)N1CCC[C@](CI)(OC[C@@H]2C[C@H]3CCC[C@H]2CC3)C1 2338901036 WEJJIIAJIHUQBM-RYLXDESZSA-N 477.427 5.424 50 10 JKGE COc1c(Br)cc(C)c([C@H](Br)c2ccsc2C)c1Br 2339655715 GOGFBEIPYHUVFM-GFCCVEGCSA-N 469.036 6.383 50 10 JKGE C[C@@H]1CN(Cc2ccc(I)c(Br)c2)CC[C@H]1CCCl 2349860091 HLSBSJGZJVIHRL-DGCLKSJQSA-N 456.593 5.141 50 10 JKGE Clc1ccc(I)cc1CN1[C@H](CBr)C[C@@H]2CCC[C@@H]21 2352409114 DCDYQUAPRUOUFT-XEGUGMAKSA-N 454.577 5.083 50 10 JKGE Brc1ccc(OCc2ccccc2)c([C@@H](Br)[C@@H]2CCOc3ccccc32)c1 2361179863 YWSJTOOCEYRJOJ-XXBNENTESA-N 488.219 7.030 50 10 JKGE Clc1ccc([C@@H](CBr)OCc2cc(Br)cc(Br)c2)cc1 2362246480 AEPMHYNKQFJUQK-OAHLLOKOSA-N 483.425 6.518 50 10 JKGE Cc1nc(Br)c([C@@H](Br)c2c(F)cc(F)c(Br)c2F)n1C 2362444547 NGDGRPJUQIYJJI-VIFPVBQESA-N 476.916 5.155 50 10 JKGE Cc1nc(Br)c([C@@H](Br)c2c(Br)cc(F)c(F)c2F)n1C 2362483335 OOZKZSWKJFKNMI-QMMMGPOBSA-N 476.916 5.155 50 10 JKGE Cn1nc(Br)c(Br)c1[C@@H](Br)c1cc(Cl)cc2c1OCC2 2364227653 BXGVYQIGGOBUQR-VIFPVBQESA-N 485.401 5.018 50 10 JKGE FC1(F)CC[C@]2(C1)[C@@H](Cl)C[C@@H]2Oc1cc(Br)cc(I)c1 2364267679 MQLVOPOFFQHVCL-AVGNSLFASA-N 477.514 5.618 50 10 JKGE Cc1cc(Br)c(F)c(Br)c1[C@H](Br)[C@@H]1C[C@H]2O[C@H]1[C@H]1C[C@@H]12 2365189783 YLCRNZLSSFWZDG-QNXVOYSQSA-N 468.986 5.519 50 10 JKGE CC(C)(C)[C@@]1(CBr)CCN(Cc2ccc(Cl)cc2I)C1 2366738399 MEBMXVQPZOLFDJ-MRXNPFEDSA-N 470.620 5.578 50 10 JKGE O=C(c1cc(Br)c(Br)s1)N1CCC[C@@H](Cl)[C@H]1C(F)(F)F 2370266865 YTZVPCVQLXYMME-SVRRBLITSA-N 455.521 5.047 50 10 JKGE N#C/C(=C\c1ccc(-c2cccc(C(F)(F)F)c2)o1)c1nc(-c2ccc3ccccc3c2)cs1 28356479 XWTZDPXSQDEQKY-KGENOOAVSA-N 472.491 8.306 50 10 JKGE Cc1cc(C(=O)/C(C#N)=C2\C(=O)Nc3ccc(Br)cc32)c(C)n1-c1ccccc1F 33546617 FUZLDBWHPZHKSD-FXBPSFAMSA-N 464.294 5.108 50 10 JKGE N#C/C(=C/c1ccc(-c2ccc(Cl)cc2Cl)o1)C(=O)Nc1ccc([N+](=O)[O-])cc1Cl 33763825 XSMUKRHWCAHCNZ-XFFZJAGNSA-N 462.676 6.361 50 10 JKGE N#CC1=C(N)N2C(=C(C#N)[C@@H]1c1ccc(-c3cc(Cl)cc(Cl)c3)o1)Sc1ccccc12 34871699 XHSBXMHUGOYSQY-OAQYLSRUSA-N 463.349 6.392 50 10 JKGE CCOC(=O)c1c(-c2ccc(CC)cc2)csc1NC(=O)/C(C#N)=C\c1ccc(OC)cc1 35058188 CGTNXHQLPIDDKE-ZHZULCJRSA-N 460.555 5.708 50 10 JKGE CCCOc1ccccc1C(=O)Oc1ccc2c(c1)OC(N)=C(C#N)[C@@H]2c1ccccc1OCC 38650565 STZKYAIIQJTVCF-AREMUKBSSA-N 470.525 5.311 50 10 JKGE CCCCCOc1ccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4ccccc4OCC)ccc32)cc1 38685523 IDZHITQGDYAGSY-NDEPHWFRSA-N 498.579 6.092 50 10 JKGE N#C/C(=C\c1ccc(-c2cc(Cl)cc(Cl)c2)o1)C(=O)Nc1ccc(Cl)c(Cl)c1 39884653 PWKKOFFTBWUBJB-KPKJPENVSA-N 452.124 7.106 50 10 JKGE Cc1ccc(COc2c(Cl)cc(/C=N\NC(=O)CC[C@H](O)c3ccccc3)cc2Cl)cc1 58889442 DVJZICZXKUUACF-FJLJVCJUSA-N 471.384 5.845 50 10 JKGE CCCN(CCC)c1ccc(C(=O)N/N=C2\C(=O)N(C/C=C/c3ccccc3)c3ccccc32)cc1 59155487 UDPRBWZORCBAKY-IPBBVUEASA-N 480.612 5.507 50 10 JKGE Cc1cccc(NC(=O)/C(C#N)=C\c2ccccc2OCc2ccc(Cl)c(Cl)c2)c1C 59202183 JSLKXTDAZNCGAA-MOSHPQCFSA-N 451.353 6.735 50 10 JKGE BrC[C@@H](Cc1ccc(Br)cc1)Cc1ccc(I)cc1 97183406 WOBLAZVOLPBQFL-AWEZNQCLSA-N 494.008 5.850 50 10 JKGE CCCCN(C[C@H](Br)[C@H](Br)c1ccccc1)S(=O)(=O)c1ccccc1 100316062 CGFXHSHNJQZDRM-RBUKOAKNSA-N 489.273 5.377 50 10 JKGE CC1=C(C#N)C(=O)N(Cc2ccco2)C(=O)/C1=C/c1ccc(-c2ccc(Cl)cc2Cl)o1 101336765 NWZQTAHQLKAJEQ-VCHYOVAHSA-N 453.281 5.639 50 10 JKGE Cc1cc(Br)ccc1[C@@H](Cl)c1cc(Br)sc1Br 109825154 GUBFLUYMRBJLPQ-LLVKDONJSA-N 459.428 6.672 50 10 JKGE Clc1cc2c(cc1[C@@H](Br)c1ccc(I)cc1)OCCO2 109867287 IUYVIJCJSXOZFS-HNNXBMFYSA-N 465.512 5.200 50 10 JKGE CCCCCCCCC[C@@H](Br)c1cc(Br)sc1Br 115065418 NTTAGJOCRCTCTO-GFCCVEGCSA-N 461.101 7.850 50 10 JKGE Cc1cc([C@@H](Br)c2cc(Cl)c(Br)s2)sc1Br 127567385 QXGWVOGTLZANJB-MRVPVSSYSA-N 465.457 6.781 50 10 JKGE Cc1cc(Br)c([C@H](Br)Cc2ccc(F)cc2F)cc1Br 128818273 BEHFFTZISBCUQJ-CQSZACIVSA-N 468.961 6.477 50 10 JKGE Cc1cc(Br)c([C@@H](Cl)c2cc(Br)c(Br)s2)s1 128875578 CFHGGFLPEDSRKE-QMMMGPOBSA-N 465.457 6.734 50 10 JKGE Fc1cc([C@@H](Cl)c2cc(Br)ccc2Br)c(F)cc1Br 161104375 OZBFDFXBWBSBCR-ZDUSSCGKSA-N 475.352 6.581 50 10 JKGE COc1cc(/C=N\NC(=O)c2ccc3[nH]c4c(c3c2)CCCC4)ccc1OCc1ccccc1 169890034 QARNNFROAUQFOB-RHANQZHGSA-N 453.542 5.398 50 10 JKGE CCOc1cc(/C=C2\C(=O)N(CC(C)C)C(=O)C(C#N)=C2C)ccc1OCc1ccc(C)cc1 214275602 JKIIUXFUOGWRRQ-QRVIBDJDSA-N 458.558 5.221 50 10 JKGE CC(C)[C@H]1CC[C@@H](C)C[C@@H]1O[C@@H](CI)c1ccccc1Br 228847442 MUQRAUVIVADRAV-KNCCTNLNSA-N 465.213 6.403 50 10 JKGE COc1cccc(C[C@@H](Cl)c2cc(Br)ccc2I)c1 235007892 OMXUSWJVMCLTOE-CQSZACIVSA-N 451.529 5.585 50 10 JKGE C[C@@H]1Cc2cc([C@H](Cl)c3cc(Br)ccc3I)ccc2O1 235414410 FBPPPZJLYJRASQ-ABKXIKBNSA-N 463.540 5.705 50 10 JKGE COc1ccc(C=NNC(=O)c2ccccc2-n2cccc2)cc1OCc1ccc(Cl)cc1 252598200 CYAACIWMCFATFB-UHFFFAOYSA-N 459.933 5.482 50 10 JKGE CC(=NNC(=O)c1ccc(CSc2cccc3cccnc23)cc1)c1ccc(Cl)c(Cl)c1 254311485 ZZDGOJCBCYEMCD-UHFFFAOYSA-N 480.420 6.988 50 10 JKGE COc1ccc(C=NNC(=O)c2cc(-c3cccc(OC(C)C)c3)nc3ccccc23)cc1O 263629936 WSSBQTAQNQHJFR-UHFFFAOYSA-N 455.514 5.167 50 10 JKGE C/C(C=NNC(=O)CSc1nnc(-c2ccccc2)n1-c1ccc(C)cc1)=C/c1ccco1 263632219 PUXQXZIXHGFIIU-VSRQWITRSA-N 457.559 5.133 50 10 JKGE Cc1cc(C)c([C@@H](Br)c2ccccc2I)c(C)c1Br 306056921 VSIAMPMRYJNBCR-INIZCTEOSA-N 494.008 6.463 50 10 JKGE BrCc1cc(I)c2sc(I)cc2c1 306904450 ULQJIIBXUHIWBZ-UHFFFAOYSA-N 478.918 5.005 50 10 JKGE O=C(NC[C@H]1CCC[C@H](CBr)C1)c1cc(Br)c(Br)s1 389412775 LPMNZJRDQFMIMO-IUCAKERBSA-N 474.056 5.204 50 10 JKGE C[C@@H]1CCN(c2cccc(Br)c2CBr)CCN1Cc1ccccc1 394719195 VTZBVXKOCXDSEX-MRXNPFEDSA-N 452.234 5.445 50 10 JKGE Clc1cc(Cl)cc([C@H](Br)c2cc(Cl)c(Cl)c(Cl)c2Cl)c1 404647198 HMCMVKNKGHWAKJ-JTQLQIEISA-N 453.805 8.091 50 10 JKGE Cl[C@@H](c1cscc1Br)c1cc(Br)sc1Br 404791331 HIWBEXZDJPATKA-MRVPVSSYSA-N 451.430 6.425 50 10 JKGE CC(C)(C)OC(=O)NCCN1C[C@@H](c2ccc(CO[Si](C)(C)C(C)(C)C)cc2)Nc2ccccc21 616691463 AZSJWOKUVRNNFH-DEOSSOPVSA-N 497.756 6.706 50 10 JKGE CC(C)(C)c1cccc([C@H](Br)c2cc(Br)ccc2Br)c1 691650835 KTKIUFFUCDNSEH-INIZCTEOSA-N 461.035 6.993 50 10 JKGE COc1cc(C)c(Br)cc1[C@H](Cl)c1scc(Br)c1Br 705470350 ZMUJPAMDNIUWBQ-LBPRGKRZSA-N 489.454 6.681 50 10 JKGE BrCc1cc(Br)c(OC[C@@H]2C[C@H]3CCC[C@@H]3O2)c(Br)c1 720793341 IOEJAPGUYFJEJJ-SUNKGSAMSA-N 469.011 5.443 50 10 JKGE COc1cc(C=NNC(=O)c2ccc(Cl)cc2)ccc1OCc1ccc(Cl)c(Cl)c1 1083951756 PLQQJXLMEIMYEI-UHFFFAOYSA-N 463.748 5.998 50 10 JKGE Cc1c(Cl)cccc1NC(=O)/C(C#N)=C\c1cc(Cl)ccc1OCc1cccc(F)c1 1084040834 RLIBUCUKKRHFCJ-WQRHYEAKSA-N 455.316 6.566 50 10 JKGE Cc1cc(/C=C(\C#N)c2cccc(Br)c2)c(C)n1-c1ccc(C(=O)O)c(Cl)c1 1084127810 AWOPFFDHWHBTFG-RQZCQDPDSA-N 455.739 6.272 50 10 JKGE Cc1cc(C=NNC(=O)CCSc2ccc(Cl)cc2)c(C)n1-c1cc(Cl)ccc1Cl 1084375846 PLSLVVVFZWEKCT-UHFFFAOYSA-N 480.848 6.687 50 10 JKGE COc1cc(C=NNC(=O)c2cc3cc(Br)ccc3o2)ccc1OCc1cccc(C)c1 1084452197 LSWVWPCWYOCXLL-UHFFFAOYSA-N 493.357 5.855 50 10 JKGE C[C@@]12CC[C@@H](CC1=NOC(=O)Cc1coc3ccc4ccccc4c13)[C@@]2(C)CBr 1772721800 WNDKBCXFLGDUGC-PKKBDPGCSA-N 454.364 6.249 50 10 JKGE N#CC1=C(N)Oc2c(c(-c3ccccc3)nn2-c2ccc(Cl)cc2)[C@@H]1c1ccc(Cl)cc1Cl 1865685811 NHUFDXXWSSNTNL-OAQYLSRUSA-N 493.781 6.718 50 10 JKGE CCCOc1ccc([C@@H]2C(C#N)=C(N)Oc3c2c(C(F)(F)F)nn3Cc2ccccc2)cc1OCC 1865691037 HNPXEKBEGFQQQK-OAQYLSRUSA-N 498.505 5.356 50 10 JKGE CCCCCOc1ccc([C@@H]2C(C#N)=C(N)Oc3c2c(CC)nn3-c2ccc(OC)cc2)cc1 1865694256 WFIYMOVXUISAFQ-XMMPIXPASA-N 458.562 5.230 50 10 JKGE N#CC1=C(N)Oc2c(c(-c3ccccc3)nn2Cc2ccc(Cl)cc2)[C@H]1c1ccc(C(=O)O)cc1 1865708807 GKHIKXBFCBTDJY-QFIPXVFZSA-N 482.927 5.168 50 10 JKGE COc1ccc(-c2nn(Cc3ccc(Cl)cc3)c3c2[C@@H](c2cccc(OC)c2)C(C#N)=C(N)O3)cc1 1865712294 VBKXAWIRVPBDQQ-DEOSSOPVSA-N 498.970 5.487 50 10 JKGE CCOC(=O)c1c(NC(=O)/C(C#N)=C/c2ccc(F)cc2)sc(C)c1-c1ccc(Cl)cc1 1866128142 ZKWYQJGMNDHDLG-SFQUDFHCSA-N 468.937 6.238 50 10 JKGE Cc1cccc(C)c1N1C(=O)c2ccc(NC(=O)/C(C#N)=C/c3ccc(Cl)cc3)cc2C1=O 1866128188 BTITWLNEOYJLFR-LDADJPATSA-N 455.901 5.303 50 10 JKGE CCCCc1ccc(-c2csc(/C(C#N)=C(\O)[C@@H]([C@H](C)CC)N3C(=O)c4ccccc4C3=O)n2)cc1 1872744634 AQBYDDAGAZBSOR-VUDGCIMWSA-N 499.636 6.656 50 10 JKGE COCCCN1C(=O)c2ccc(/C(O)=C(\C#N)c3nc(-c4ccc(Cl)cc4)cs3)cc2C1=O 1872748268 QATJKGLTTMLTKA-VZCXRCSSSA-N 479.945 5.046 50 10 JKGE N#C/C(=C\c1ccc(OC(=O)c2ccccc2)cc1)c1nc(-c2cccc([N+](=O)[O-])c2)cs1 1872782491 IFNXXSXLCUYXRM-DEDYPNTBSA-N 453.479 6.002 50 10 JKGE COc1ccccc1-c1csc(/C(C#N)=C/c2ccc(OCc3ccc(Cl)cc3)cc2)n1 1872784465 NJBWWDNOLCWFOE-XSFVSMFZSA-N 458.970 7.115 50 10 JKGE CCCCc1ccc(N2C[C@@H](/C(O)=C(\C#N)c3nc(-c4cccc([N+](=O)[O-])c4)cs3)CC2=O)cc1 1873940699 CYXZAIQWZRULQY-NWIBBQCFSA-N 488.569 5.907 50 10 JKGE Cc1csc([C@H](Cl)c2sc(Cl)cc2I)c1Br 1901028058 HOXQVFRCKYCUEF-MRVPVSSYSA-N 468.006 6.467 50 10 JKGE C[C@H](CBr)N(Cc1ccccc1)C(=O)c1scc(Br)c1Br 1914233025 YUMROFCWFHZEHX-SNVBAGLBSA-N 496.062 5.699 50 10 JKGE Cl[C@H](c1cccc(OCc2ccccc2)c1)c1sc(Br)cc1Br 1922885831 QUPBORIXNFVUCJ-QGZVFWFLSA-N 472.629 7.180 50 10 JKGE Cl[C@H](c1c(Br)sc(Br)c1Br)[C@H]1C[C@@H]2O[C@H]1[C@H]1C[C@@H]21 1924612745 DHEZAVMOAVTJSO-ZOPRMMIHSA-N 477.443 5.739 50 10 JKGE CC[C@@H](C(C)C)[C@H](Br)c1c(Br)sc(Br)c1Br 1924613376 IHPKKPFEMOCSJC-XPUUQOCRSA-N 497.916 7.154 50 10 JKGE CC(C)(C)O[C@H]1C[C@@H]([C@@H](Br)c2c(Cl)sc(Br)c2Cl)C1 1925565828 HRQXKVKFITYVOI-BKPPORCPSA-N 451.051 6.847 50 10 JKGE CN(CCN(CCCCCCCCCBr)Cc1ccccc1)Cc1ccccc1 1931960978 FTBDJIRMILICCJ-UHFFFAOYSA-N 459.516 6.746 50 10 JKGE Brc1ccc([C@@H](Br)Cc2ccccc2I)cc1 1940444835 DQTWHQHDRNEETD-ZDUSSCGKSA-N 465.954 5.732 50 10 JKGE COCc1cc(Br)c([C@@H](Br)c2sncc2Br)s1 1941507720 QNAKWMIZIJMWMP-MRVPVSSYSA-N 462.026 5.360 50 10 JKGE C[C@]1([C@@H](Br)c2sc(Br)cc2Br)CCCC1(F)F 2002592083 OWFDMNYXZFUBJW-VHSXEESVSA-N 452.984 6.535 50 10 JKGE CC(C)(C)OC(=O)NCCSSCCNCc1cc(Cl)ccc1Br 2010825311 JEPARQMLSQHSFE-UHFFFAOYSA-N 455.871 5.098 50 10 JKGE Cn1cc([C@@H](Br)c2ccc(Br)cc2Br)nc1Br 2024279439 NLMGXIZWWJACMI-JTQLQIEISA-N 487.815 5.192 50 10 JKGE Cn1ncc([C@H](Br)Cc2c(Cl)cccc2Cl)c1I 2042860039 TYTWUEAKQNGDID-SECBINFHSA-N 459.940 5.010 50 10 JKGE COc1cc(-n2nc(C3CCC3)c(CBr)c2C(F)(F)F)nc(C(F)(F)F)c1 2078842650 YZSNHTQNXKQBFD-UHFFFAOYSA-N 458.200 5.476 50 10 JKGE Brc1cc(Br)cc([C@H](Br)c2cc3sccc3s2)c1 2084760490 SWQZXDRQASTDLF-ZDUSSCGKSA-N 467.045 6.972 50 10 JKGE Cc1nc(C[C@@H](Br)c2cc(Cl)ccc2I)sc1C 2085798574 SNOGSTXDBQQKOK-LLVKDONJSA-N 456.574 5.697 50 10 JKGE FC1(F)C2(CCC2)[C@]1(CBr)Cc1c(Br)cccc1Br 2094100488 RZGHYENLEPXYRF-CYBMUJFWSA-N 458.966 5.955 50 10 JKGE Fc1cc(Br)ccc1CC[C@@H](Br)c1ccccc1Br 2113442369 QFRAMPLTZWSWOP-CQSZACIVSA-N 450.971 6.420 50 10 JKGE Fc1cc(CC[C@H](Br)c2cccc(Br)c2)ccc1Br 2113486449 FTSVYZJYDAFSTJ-ZDUSSCGKSA-N 450.971 6.420 50 10 JKGE C[C@@H]1CN(Cc2cccc(Br)c2Br)CC[C@H]1CCBr 2115844002 PJIHQUWGXAGOPF-VXGBXAGGSA-N 454.044 5.455 50 10 JKGE CCc1cc([C@H](Br)c2cc(Br)sc2Br)c(F)cc1F 2118754151 AINFEXYXZKJPJM-LBPRGKRZSA-N 474.990 6.598 50 10 JKGE CC(C)(C)OC(=O)NCCSSCCNc1nccc2c(Br)cccc12 2125301822 KWCJMDWCNDKWDI-UHFFFAOYSA-N 458.447 5.315 50 10 JKGE CC1(C)C[C@@](C)(CBr)CN1C(=O)c1cc(Br)c(Br)s1 2134833388 RCYYSHGQYBOKSW-ZDUSSCGKSA-N 474.056 5.299 50 10 JKGE Fc1cc(Br)ccc1[C@H](Br)c1cc(Br)c2c(c1)CCO2 2146627875 LREYHNXKMMBYDW-CQSZACIVSA-N 464.954 5.770 50 10 JKGE COc1cc(CBr)ccc1OCc1ccc(Br)cc1Br 2148685653 PQVHSGDGFAEGEM-UHFFFAOYSA-N 464.979 5.694 50 10 JKGE BrCc1ccc2c(c1)CN(Cc1cccc(Br)c1Br)C2 2167513833 UFYOCUCSQXMHQH-UHFFFAOYSA-N 460.007 5.622 50 10 JKGE Cn1ncc(CC(CBr)(CBr)c2ccccc2Br)c1Cl 2168231121 GZUWKNIUDDWOSL-UHFFFAOYSA-N 485.445 5.106 50 10 JKGE CCCc1nnc(COc2c(Br)cc(CBr)cc2Br)s1 2186509175 SCGGQRCQJKIECW-UHFFFAOYSA-N 485.039 5.490 50 10 JKGE O=C(N[C@@H](CBr)[C@@H]1CC=CCC1)c1ccc(Br)cc1Br 2196154102 CNDYSOHPIKLXRE-YGRLFVJLSA-N 466.011 5.061 50 10 JKGE Cc1cc(F)ccc1[C@@H](Br)c1c(C)c(Br)cc(C)c1Br 2201074201 QTRZQEMWNVKSDD-MRXNPFEDSA-N 464.998 6.760 50 10 JKGE CO[C@H]1C[C@@H]([C@H](Br)c2ccc(Br)c(C)c2Br)C[C@H]1OC 2203706740 TYNPTSVLWPRMCD-AETLKFDBSA-N 471.027 5.396 50 10 JKGE COc1c(Br)cc(C)cc1[C@@H](Br)c1ccc(C)cc1Br 2203823028 HWNKIYNBQROJMQ-HNNXBMFYSA-N 463.007 6.321 50 10 JKGE Fc1ccc(Br)c(CO[C@H](CBr)c2ccc(Br)cc2)c1 2206274672 YSAKVNBYVKJZNA-OAHLLOKOSA-N 466.970 6.004 50 10 JKGE Cc1c(Br)sc([C@@H](Br)c2ccccc2OCc2ccccc2)c1C 2213631127 VIUNMZWTYMCTNF-SFHVURJKSA-N 466.238 7.191 50 10 JKGE COc1cc(F)ccc1[C@@H](Br)c1sc(Br)cc1Br 2218606044 NIZNZEJGBBFAKD-LLVKDONJSA-N 458.972 5.905 50 10 JKGE Clc1cc(Br)c([C@@H](Cl)c2ccc(OCc3ccccc3)cc2)c(Cl)c1Cl 2224308702 ZDEWUSVONMUGNY-SFHVURJKSA-N 491.039 8.317 50 10 JKGE Cc1cc(Br)c([C@H](Br)C[C@@H]2CC[C@@H]3C[C@@H]23)c(C)c1Br 2227363435 XUZAUTRTHPTUOA-GFQSEFKGSA-N 451.040 6.701 50 10 JKGE Cc1cc([C@H](Cl)c2ccc(Br)cc2Br)cc(C)c1Br 2227425449 VTCSESYGQVWRGU-HNNXBMFYSA-N 467.426 6.919 50 10 JKGE Cc1ccc([C@H](Cl)c2c(C)cc(C)c(Br)c2C)cc1I 2232834668 WFKVTJLTRHHZLO-KRWDZBQOSA-N 463.584 6.616 50 10 JKGE C[C@H](Cl)c1nc2cc(Cl)c(Cl)cc2n1C[C@@H]1CC1(Br)Br 2233042910 ZFGAWFBRXZTJFT-BQBZGAKWSA-N 461.412 6.149 50 10 JKGE Cc1cc(Br)c([C@@H](Br)[C@@H]2CCCC23CCC3)c(C)c1Br 2235602199 CQFATMOMXZNKBJ-LRDDRELGSA-N 465.067 7.235 50 10 JKGE Cc1sc([C@H](Br)c2csc(I)c2)c(Br)c1C 2242628548 SSXMCAMRUKLVIR-SNVBAGLBSA-N 492.039 6.278 50 10 JKGE CCCCc1ccc([C@H](Br)c2scc(Br)c2Br)s1 2253413397 VDGWUJHULJBYFW-LBPRGKRZSA-N 473.093 7.162 50 10 JKGE COc1ccc([C@@H](Br)c2c(F)cccc2I)c(Cl)c1 2267739564 MZVWTMTZMYFBEV-CQSZACIVSA-N 455.492 5.577 50 10 JKGE COc1cc(C)c(Br)c(C)c1[C@@H](Br)c1ccc(Br)o1 2269606362 ZTPXZZDKWRZCNN-AWEZNQCLSA-N 452.968 5.914 50 10 JKGE Clc1ccc([C@H](Br)c2cc3sc(Br)cc3s2)cc1Cl 2278103497 VIJJVFALQZEJMS-ZDUSSCGKSA-N 457.039 7.516 50 10 JKGE CC(C)c1cc(Br)cc([C@@H](Br)Cc2ccncc2Br)c1 2280679251 OWRDJFQGXJHWML-HNNXBMFYSA-N 462.023 6.409 50 10 JKGE COc1c([C@@H](Br)c2sncc2Br)cc(Br)c2c1CCC2 2284591337 LHCJUUBVAJIEPL-GFCCVEGCSA-N 482.035 5.650 50 10 JKGE COc1ccc([C@H](Br)[C@H]2C(F)(F)C23CCCC3)cc1I 2284998336 QQQWKAHFFNFMQD-QWHCGFSZSA-N 457.096 5.561 50 10 JKGE COc1ccc([C@H](Br)c2ccc(C(F)F)cc2)cc1I 2285015675 ZQRBBPAJQHNPMX-CQSZACIVSA-N 453.064 5.722 50 10 JKGE Cc1cc(F)c(Br)cc1[C@@H](Br)Cc1ccc(Br)cc1Cl 2285957064 CWSRZKHDYJWPNH-LBPRGKRZSA-N 485.416 6.991 50 10 JKGE Fc1cc(Br)c(F)c(Br)c1[C@@H](Br)[C@@H]1CCCC12CCC2 2288347713 XCMODDSLJMWGII-UFBFGSQYSA-N 472.993 6.896 50 10 JKGE Fc1cc(Br)c(F)c(Br)c1[C@H](Br)C(F)(F)C1CCCC1 2288366146 ZACXDCPHIFXAMC-LBPRGKRZSA-N 482.935 6.751 50 10 JKGE FC1(F)CCC[C@@H]([C@@H](Br)Cc2cc(Br)cc(Br)c2)CC1 2295329964 OXNJJHAKVBTJGW-RISCZKNCSA-N 475.009 6.733 50 10 JKGE COc1ccc(Br)cc1[C@@H](Cl)c1cc2sc(Br)cc2s1 2295405644 DPPMZHAUJAGANO-CQSZACIVSA-N 452.620 6.825 50 10 JKGE CCOC(=O)c1c(-c2ccc(Cl)cc2)csc1NC(=O)C(C#N)=Cc1ccc(C(C)C)cc1 2296500528 WAINFLDUVFKTGD-UHFFFAOYSA-N 479.001 6.914 50 10 JKGE Cc1ccc(C)c(NC(=O)C(C#N)=C2S[C@H](Cc3cccc(Cl)c3)C(=O)N2c2ccccc2)c1 2296834375 DBMIJHYBVLQVQD-XMMPIXPASA-N 488.012 6.022 50 10 JKGE N#CC(=CC1=C(N2CCOCC2)C(=Cc2ccc(Cl)cc2Cl)CC1)C(=O)Nc1ccccc1F 2297398972 RHRADDNSRSJNRL-UHFFFAOYSA-N 498.385 5.985 50 10 JKGE Brc1cc(OCc2ccccc2)ccc1[C@@H](Br)[C@@H]1CCC12CCC2 2299495873 RWYYQYNXPQPETA-AZUAARDMSA-N 450.214 7.044 50 10 JKGE CC[C@@](C)(C(F)F)[C@H](Cl)c1c(Br)sc(Br)c1Br 2299825510 MRFRSBVEFHWOMK-LHLIQPBNSA-N 475.418 6.997 50 10 JKGE FC1(F)CC[C@@H](Cc2ccc(I)c(Br)c2)[C@@H]1Br 2306223731 IYMSAPSQKLTKOL-KWQFWETISA-N 479.928 5.405 50 10 JKGE COc1cc(C=C(C#N)C(=O)Nc2cc(C)ccc2C)ccc1OCc1ccc([N+](=O)[O-])cc1 2313553206 RQYLFOGGXNBXAY-UHFFFAOYSA-N 457.486 5.345 50 10 JKGE Cc1cc([C@@H](Br)c2cc(Br)ccc2OCc2ccccc2)ccc1F 2314491587 RLJXARLUYCEDPT-OAQYLSRUSA-N 464.172 6.960 50 10 JKGE CC(C)c1ccc(N2C(=O)[C@@H](Cc3ccccc3)SC2=C(C#N)C(=O)N[C@@H](C)c2ccccc2)cc1 2314593661 QPFGDLISSQBZKP-KDYSTLNUSA-N 495.648 6.114 50 10 JKGE C[C@@H]1CO[C@@H]([C@H](Br)c2c(Cl)cc(Br)c(F)c2Br)C1 2315440646 VWPKQOYEKFPNLF-LWELHUNNSA-N 465.382 5.865 50 10 JKGE CCc1cc(Br)c([C@H](Br)c2c(Br)nc(C)n2C)s1 2315599237 UKZAFVNUCJDOTK-SECBINFHSA-N 457.029 5.362 50 10 JKGE CCc1cccc(C)c1N1C[C@@H](C(O)=C(C#N)c2nc(-c3ccc(OC)cc3)cs2)CC1=O 2331273537 NXRZAFCQMOXDII-IBGZPJMESA-N 459.571 5.535 50 10 JKGE C[C@@H](Oc1ccc(Cl)cc1Cl)C(O)=C(C#N)c1nc(-c2cc(Cl)ccc2Cl)cs1 2331405299 DOUXINKXHQFOLD-SNVBAGLBSA-N 486.207 7.684 50 10 JKGE COc1ccc(Cl)cc1-c1csc(C(C#N)=C(O)c2ccc3c(c2)C(=O)N(CC(C)C)C3=O)n1 2331410916 QTUQUFQAUHMLAK-UHFFFAOYSA-N 493.972 5.674 50 10 JKGE COC[C@@H]1CC[C@H](Cc2ccc(Cl)c(I)c2)C[C@H]1Br 2337274056 FOPAJBWSESCFIT-KGYLQXTDSA-N 457.577 5.313 50 10 JKGE Cc1c(Br)ccc([C@@H](Br)[C@@H]2CO[C@]3(C)C[C@H]2C3)c1Br 2337698546 VKLTWZSDEFCVOH-VGKMCQHDSA-N 453.012 5.771 50 10 JKGE Cc1cc(Br)c(F)c(Br)c1[C@H](Br)C1CCC(C)CC1 2339645783 LFNIVXLPTNPVPA-QDPIBXHXSA-N 457.019 6.921 50 10 JKGE CC(C)c1cc(Br)cc(C(=O)N[C@H](CCBr)COCc2ccccc2)c1 2343415576 FEWLOHLNAITABD-HXUWFJFHSA-N 483.244 5.673 50 10 JKGE Fc1cc(Cl)c(Br)c(Cl)c1[C@H](Br)[C@@H]1CC12CC(F)(F)C2 2360425186 ACOYFKBCRMZKMR-SSDLBLMSSA-N 452.923 6.766 50 10 JKGE Fc1cc([C@@H](Cl)c2c(Cl)cc(Br)c(F)c2Br)ccc1Cl 2362226809 XAUJSEFQYPNCAJ-GFCCVEGCSA-N 465.346 7.125 50 10 JKGE Cc1cc(Br)c(F)c(Br)c1[C@H](Br)[C@@H]1C[C@H]2O[C@H]1[C@@H]1C[C@@H]21 2365189782 YLCRNZLSSFWZDG-MFKGXMKMSA-N 468.986 5.519 50 10 JKGE CC[C@H](Br)[C@@H]1CCCCN1C(=O)c1ccc(Cl)cc1I 2365582974 XRXJJHDZKRGIPL-JSGCOSHPSA-N 470.576 5.113 50 10 JKGE COc1ccc([C@H](Br)c2ccc(Cl)cc2I)c(C)c1C 2365596662 WTWLZFSIRHRKJY-INIZCTEOSA-N 465.556 6.054 50 10 JKGE Fc1cc([C@@H](Br)c2cc(Br)c(Cl)cc2F)c(Cl)cc1Cl 2379740556 ZCWCVNVQPFGEOJ-CYBMUJFWSA-N 465.346 7.172 50 10 JKGE COc1ccccc1C(=O)Oc1ccc2c(c1)OC(N)=C(C#N)[C@@H]2c1ccc(C(C)(C)C)cc1 38649697 PMIQHRFZGVLMTM-RUZDIDTESA-N 454.526 5.430 50 10 JKGE CC(C)(C)c1ccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4cccc(Cl)c4)ccc32)cc1 38649848 ZQDKVPCIWUQKCU-XMMPIXPASA-N 458.945 6.075 50 10 JKGE Cc1cc(C)cc(OCC(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@H]3c2cccc3ccccc23)c1 38657870 VSKDRXUVUFVWAI-LJAQVGFWSA-N 476.532 5.659 50 10 JKGE CCOc1ccccc1C(=O)Oc1ccc2c(c1)OC(N)=C(C#N)[C@H]2c1ccccc1Br 38678925 BBQAOAHLOGVODH-QHCPKHFHSA-N 491.341 5.285 50 10 JKGE Cc1ccc2oc(C(=O)Oc3ccc4c(c3)OC(N)=C(C#N)[C@@H]4c3ccc([N+](=O)[O-])cc3)c(C)c2c1 38688262 VMICBNGKNOGUNN-XMMPIXPASA-N 481.464 5.395 50 10 JKGE Cc1ccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4oc5ccc(Cl)cc5c4C)ccc32)o1 38688684 MIDDCPGQFUCCBL-QFIPXVFZSA-N 460.873 5.733 50 10 JKGE COc1c(Cl)cc(C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@H]3c2cccc(F)c2)cc1Cl 38700491 QHOAQMIDHSVFJJ-NRFANRHFSA-N 485.298 5.578 50 10 JKGE N#C/C(=C\c1ccc(-c2cccc(F)c2)o1)C(=O)Nc1cc(C(F)(F)F)cc(C(F)(F)F)c1 39884888 XGLSQFKTSUFZIF-NTUHNPAUSA-N 468.328 6.669 50 10 JKGE O=C(CSc1nc(-c2ccccc2)cs1)N/N=C/c1cn(Cc2ccccc2)c2ccccc12 40924429 YTMMHAZAIJFLMY-RWPZCVJISA-N 482.634 6.056 50 10 JKGE O=C(COc1cccc(Cl)c1Cl)N/N=C/c1cn(-c2ccccc2)nc1-c1ccccc1 48571912 DVUWVXGMYPNAJA-MZJWZYIUSA-N 465.340 5.375 50 10 JKGE COc1cc(/C=C(/C#N)C(=O)Nc2ccc(C)cc2)cc(Cl)c1OCc1cccc([N+](=O)[O-])c1 59335356 UOBLNPTYSRHBML-GRSHGNNSSA-N 477.904 5.690 50 10 JKGE CCCCOc1ccc(/C=C(/C#N)C(=O)Nc2nc(-c3ccc(Cl)cc3)c(C)s2)cc1 98028251 KWKBJQMBPMKRNP-RGEXLXHISA-N 451.979 6.497 50 10 JKGE CNC(=O)/C(C#N)=C1\S[C@@H](Cc2cc(Cl)cc(Cl)c2)C(=O)N1c1ccc(C(C)C)cc1 101240552 WEQFKJNHYISARP-ZNCVUUBVSA-N 474.413 5.289 50 10 JKGE CC1=C(C#N)C(=O)N(Cc2ccccc2Cl)C(=O)/C1=C/c1ccc(OCc2ccc(F)cc2)cc1 101340901 IHDJFNXWQDQPMJ-ZVHZXABRSA-N 486.930 5.851 50 10 JKGE CCc1ccccc1N/C(SCc1ccccc1Cl)=C(\C#N)S(=O)(=O)c1ccccc1 104689157 NMSRDDKRAZQQIP-VHXPQNKSSA-N 469.031 6.414 50 10 JKGE Cc1c(C)c(C)c([C@H](Br)c2cc(Br)c(Br)s2)c(C)c1C 128548259 CZAGEHVXQCWMEY-OAHLLOKOSA-N 481.091 7.300 50 10 JKGE COc1cc([C@@H](Br)c2cc(Br)c(C)cc2Br)ccc1F 128778185 QQLOOQAHEZBLJV-OAHLLOKOSA-N 466.970 6.152 50 10 JKGE CCCCNC(=O)c1cc2ccc(OC(=O)/C(C#N)=C\c3ccc(OCCCC)cc3)cc2oc1=O 206427098 RFOAXEUNUXUPOP-QNGOZBTKSA-N 488.540 5.014 50 10 JKGE Fc1cc([C@@H](Br)c2cccc(Br)c2Cl)c(F)cc1Br 228453303 LVOREDOETHUOKW-LBPRGKRZSA-N 475.352 6.628 50 10 JKGE BrCc1cc(Br)c(OCCC[C@@H]2CCCO2)c(Br)c1 232484571 SFTVVNPGLJIITK-NSHDSACASA-N 457.000 5.445 50 10 JKGE C[C@@H](c1ccccn1)[C@H](Br)c1cc(Br)ccc1I 235575815 WDVPUCLMBMMLOR-XPTSAGLGSA-N 480.969 5.688 50 10 JKGE Clc1cc(Br)cc([C@H](Br)Cc2ccc(Br)cc2)c1 236067963 HIPOYXZYYJCUSG-CQSZACIVSA-N 453.399 6.544 50 10 JKGE CC[C@@H](N/C=C(/C#N)C(=O)Nc1ccccc1Sc1ccccc1)c1ccc2c(c1)CCCC2 240718854 AOKULPMGPLFFLD-AREMUKBSSA-N 467.638 6.803 50 10 JKGE CC(=NNC(=O)c1c(-c2ccccc2Cl)noc1C)c1ccc(NC(=O)c2ccc(C)s2)cc1 252629077 TYBZSNPKWARDFS-UHFFFAOYSA-N 492.988 6.080 50 10 JKGE CCOc1ccc(C(=O)Oc2ccc(C=NNC(=O)Cc3cccc4ccccc34)cc2OCC)cc1 254704687 VDRCAPOJBLXKCS-UHFFFAOYSA-N 496.563 5.549 50 10 JKGE Brc1ccccc1[C@@H]1CN(Cc2ccccc2)C[C@H]1CI 394615532 KMHGLVCQIJAJSJ-NVXWUHKLSA-N 456.165 5.100 50 10 JKGE Fc1cc(Br)ccc1[C@H](Br)c1cc(Cl)c(Cl)c(Cl)c1Cl 404645281 GEACJWRWZKITOJ-JTQLQIEISA-N 481.801 7.686 50 10 JKGE Clc1cc([C@H](Br)c2nscc2Br)c(Cl)c(Cl)c1Cl 404848386 PRYXSRUXXMFNOU-LURJTMIESA-N 470.828 7.004 50 10 JKGE Brc1ccccc1[C@@H](Br)c1cc(Br)c2c(c1)CCCO2 689539507 FMWOUMUGVGVGKV-HNNXBMFYSA-N 460.991 6.021 50 10 JKGE Cc1cc(C)c(C)c([C@H](Br)c2scc(Br)c2Br)c1C 705465235 LTBZWAUIEYUNIQ-AWEZNQCLSA-N 467.064 6.991 50 10 JKGE O=C(CCl)c1ccccc1-c1nnnn1C(c1ccccc1)(c1ccccc1)c1ccccc1 725407204 LVNVRGQMSCROEO-UHFFFAOYSA-N 464.956 5.602 50 10 JKGE CC[C@@H](Oc1ccc2ccccc2c1Br)C(=O)NN=Cc1c(C)cc(C)cc1C 1083960246 OINCUUNHNWFIIU-OAQYLSRUSA-N 453.380 5.835 50 10 JKGE Cc1ccc(-n2nc(C)c(C=NNC(=O)CN(Cc3ccccc3)Cc3ccccc3)c2C)c(C)c1 1083980757 VOKPCCRRQFLGIJ-UHFFFAOYSA-N 479.628 5.258 50 10 JKGE Cc1ccc(-n2c(C)cc(C=NNC(=O)C(=O)Nc3ccc(Cl)c(Cl)c3)c2C)cc1C 1084115066 ALQFVKOXOSABOV-UHFFFAOYSA-N 457.361 5.107 50 10 JKGE COc1cc(C=NNC(=O)CSc2nc3ccccc3o2)ccc1OCc1ccc(Cl)cc1 1084158542 LLJVQKNOZOBASE-UHFFFAOYSA-N 481.961 5.311 50 10 JKGE Cc1ccc(NC(=O)/C(C#N)=C\c2ccccc2OCc2ccc(Br)cc2)c(C)c1 1084344525 CBWMUHYMNYPRIZ-STZFKDTASA-N 461.359 6.191 50 10 JKGE COc1cc(/C=C(\C#N)c2ccc(Cl)cc2Cl)ccc1OCc1cccc(C(=O)O)c1 1084452220 RMJWCJMELUBGTB-GIJQJNRQSA-N 454.309 6.343 50 10 JKGE O=C(NN=C(CSc1nc2ccccc2s1)c1ccc(Br)cc1)c1ccccc1O 1084601930 AJWMMMFPBSCLKL-UHFFFAOYSA-N 498.427 5.691 50 10 JKGE COc1ccc(NC(=O)/C(C#N)=C\c2cc(Cl)ccc2OCc2ccccc2Cl)cc1 1084634005 ZZPVMGLADUMUCS-PDGQHHTCSA-N 453.325 6.127 50 10 JKGE COc1ccc(/C(C#N)=C/c2ccc(OC(=O)COc3ccc(Cl)cc3Cl)cc2)cc1OC 1615099424 YHUISCNFYFEJRT-WOJGMQOQSA-N 484.335 6.059 50 10 JKGE Cc1c(C(=O)N2c3ccccc3C[C@@H]2C)oc2c1C(=NNC(=O)c1cccc(Cl)c1)CCC2 1772746555 XGFNORNHNUCKKB-HNNXBMFYSA-N 461.949 5.303 50 10 JKGE N#CC1=C(N)Oc2c(c(C(F)(F)F)nn2-c2cccc(Cl)c2)[C@H]1c1cccc2ccccc12 1865681908 ABYDRTIPEGWEQZ-IBGZPJMESA-N 466.850 5.916 50 10 JKGE N#CC1=C(N)Oc2c(c(C(F)(F)F)nn2Cc2cccc(F)c2)[C@H]1c1cccc2ccccc12 1865682582 RXIYOHOOZICNJM-FQEVSTJZSA-N 464.422 5.461 50 10 JKGE COc1cc([C@@H]2C(C#N)=C(N)Oc3c2c(-c2ccccc2)nn3-c2cccc3ccccc23)ccc1O 1865706322 SZDMIBBSVBRJCK-AREMUKBSSA-N 486.531 5.625 50 10 JKGE CCc1nn(-c2cccc3ccccc23)c2c1[C@H](c1cccc(OCc3ccccc3)c1)C(C#N)=C(N)O2 1865712258 UIKDUONLOJAHIJ-GDLZYMKVSA-N 498.586 6.385 50 10 JKGE CCOC(=O)c1c(-c2ccc(Br)cc2)csc1NC(=O)/C(C#N)=C/c1ccc(C)cc1 1866126984 BHRFXHFCYNHIGV-LDADJPATSA-N 495.398 6.208 50 10 JKGE N#CSc1ccc(NC(=O)CNC(=O)Cc2sc(-c3ccccc3)nc2-c2cccs2)cc1 1868129611 AQLRAHGMXDNXSJ-UHFFFAOYSA-N 490.635 5.409 50 10 JKGE COc1ccc(Cl)cc1N1C[C@H](/C(O)=C(\C#N)c2nc(-c3ccc(C)cc3)cs2)CC1=O 1872749102 BAISHELTNDKWEX-PDNPPFGYSA-N 465.962 5.626 50 10 JKGE COc1cc(/C=C/C(O)=C(\C#N)c2nc(-c3cc(C)ccc3C)cs2)cc(Br)c1OC 1872749651 BDFBMJSOHPGMAQ-YKUDUYFASA-N 497.414 6.713 50 10 JKGE CC(C)(C)c1ccc(C(=O)NC/C(O)=C(\C#N)c2nc(-c3ccc(C(C)(C)C)cc3)cs2)cc1 1872751255 YXTBUSJYDXCEIU-GYHWCHFESA-N 473.642 6.628 50 10 JKGE COc1cc(C)c(-c2csc(/C(C#N)=C(\O)CCCOc3ccc(Cl)cc3)n2)cc1C(C)C 1872753514 AJSUYLRQZFVIFQ-GYHWCHFESA-N 483.033 7.556 50 10 JKGE N#C/C(=C\c1ccc(OCc2ccc(Cl)cc2)cc1)c1nc(-c2ccc3c(c2)CCCC3)cs1 1872782309 CVCHLOFICKUNME-MFKUBSTISA-N 483.036 7.985 50 10 JKGE COc1ccc(OC)c(-c2csc(/C(C#N)=C(\O)CCCOc3ccc(C(C)(C)C)cc3)n2)c1 1873921125 WJECOYCRWVDMDO-GYHWCHFESA-N 478.614 6.777 50 10 JKGE Cl[C@H](c1c(Br)sc(Br)c1Br)[C@@]12COC[C@@H]1C2 1894471666 DXIRELFHYMXNNN-CXGRRUERSA-N 451.405 5.352 50 10 JKGE Cc1c(Cl)sc(Cl)c1[C@H](Br)c1sccc1I 1899888263 KVWUAZYYFCCKRG-ZETCQYMHSA-N 468.006 6.514 50 10 JKGE Clc1sc([C@H](Br)c2cc(I)sn2)cc1Br 1909890201 ZUJIRJBBKBXTDZ-SSDOTTSWSA-N 499.418 5.709 50 10 JKGE Cc1nsc(Br)c1[C@@H](Br)c1ccc(Br)c2ccccc12 1912983372 ZAOPVYPZWAUSJJ-AWEZNQCLSA-N 476.031 6.614 50 10 JKGE BrC[C@@H]1CN(Cc2ccc(Br)cc2Br)CC12CCC2 1914528300 GVLVVQKZUSMLAT-GFCCVEGCSA-N 452.028 5.209 50 10 JKGE Cc1cc(Br)ccc1C(=O)N(Cc1ccccc1)[C@H](CBr)C(C)C 1915297930 MUWJEPKWPHEEGV-LJQANCHMSA-N 453.218 5.819 50 10 JKGE Clc1cc([C@@H](Cl)Cc2ccccc2I)sc1Br 1940445108 IXKUQFWITRVCJF-QMMMGPOBSA-N 461.977 6.291 50 10 JKGE Clc1c(Br)ccc(CBr)c1N1CCCN(Cc2ccccc2)CC1 1948727094 RGACXKFISPJGCY-UHFFFAOYSA-N 472.652 5.710 50 10 JKGE Fc1cc(Br)cc(N(Cc2ccccc2)CC(F)(F)F)c1CBr 1980878276 WVAWLIRWVOKNRE-UHFFFAOYSA-N 455.087 6.052 50 10 JKGE CN[C@@H](c1c(Br)sc(Br)c1Br)C1CC(Cl)C1 1991696335 IIYLUNAGZUQWCH-MPKXYMLHSA-N 452.437 5.314 50 10 JKGE CCCOC1([C@@H](Br)c2c(Br)sc(Br)c2Cl)CC1 2001716751 AHCPCBQJUFWXDZ-QMMMGPOBSA-N 467.448 6.322 50 10 JKGE CCc1sc(Br)cc1[C@H](Br)c1ccc(Br)cc1Cl 2030223573 UWZUORZSBKEXOU-CYBMUJFWSA-N 473.455 6.973 50 10 JKGE FC1(F)[C@@H]2CC[C@H]([C@@H](Br)c3cc(Br)c(Br)s3)C[C@H]21 2030333350 LYUUQMLQMPELOP-MPXCPUAZSA-N 464.995 6.391 50 10 JKGE N#C[C@H]1CN(c2c(CBr)ccc(Br)c2Cl)CCN1Cc1ccccc1 2036848210 KKUVKLJYHRMMML-INIZCTEOSA-N 483.635 5.212 50 10 JKGE Cc1nc([C@@H](Br)[C@@H](C)c2ccncc2Br)c(Br)s1 2050331632 PHJQJNLQGHKURV-WKEGUHRASA-N 455.013 5.611 50 10 JKGE Clc1c(Br)sc(Br)c1[C@H](Br)[C@H]1C[C@@H]2CC[C@H](C1)O2 2061009329 VTFLXSMSPZADIL-JAGXHNFQSA-N 479.459 6.320 50 10 JKGE C[C@H](NCCSSCCNC(=O)OC(C)(C)C)c1cc(F)ccc1Br 2061268243 QKQMFVMBXPRSIH-LBPRGKRZSA-N 453.443 5.145 50 10 JKGE Cc1cc([C@@H](Cl)c2c(Br)cccc2Br)c(C)cc1Br 2094091327 RVUAFRBBHJQMFG-OAHLLOKOSA-N 467.426 6.919 50 10 JKGE Cn1nc(CC(CBr)(CBr)C2CCCC2)c(Br)c1Cl 2096686815 OXZXNIQKOIVXQZ-UHFFFAOYSA-N 477.466 5.345 50 10 JKGE Clc1cc(Br)cc(COc2c(Br)cccc2CBr)c1 2110528620 MQNHHWBFVVBAKY-UHFFFAOYSA-N 469.398 6.339 50 10 JKGE Fc1cc(Cl)c([C@H](Cl)c2c(Br)sc(Br)c2Cl)cc1F 2112344542 NFMMTZYQHMNRLN-QMMMGPOBSA-N 471.375 7.186 50 10 JKGE C[C@]1(C(F)(F)F)C[C@@]1(CBr)Cc1cc(Br)ccc1Br 2118530420 XVSCUSCNTDPYJZ-NWDGAFQWSA-N 464.945 6.108 50 10 JKGE Cc1ccc(CBr)c(OCc2cc(Cl)ccc2I)c1 2139774425 UBUXEPBPTBYMOI-UHFFFAOYSA-N 451.529 5.727 50 10 JKGE COc1ccc([C@H](Cl)c2ccc(Br)cc2I)c(Cl)c1 2142287745 OLUWNLKBXZSQGE-AWEZNQCLSA-N 471.947 6.044 50 10 JKGE COc1cc(Br)c(C)cc1[C@H](Br)c1c(C)cccc1Br 2145961200 IDDZNHMANOCDAD-INIZCTEOSA-N 463.007 6.321 50 10 JKGE COc1cc(Br)c(C)cc1[C@@H](Br)c1cc(F)cc(Br)c1 2145961215 IGKYJXRWZURFBV-HNNXBMFYSA-N 466.970 6.152 50 10 JKGE CCN(CCCOCc1ccccc1)S(=O)(=O)c1ccc(Cl)c(CBr)c1Cl 2179834385 IIGZBAWVFFKMHK-UHFFFAOYSA-N 495.266 5.506 50 10 JKGE Cl[C@H](c1ccc(-c2cccs2)s1)c1cc(Br)ccc1I 2205862045 APCZFUCSRCMUML-HNNXBMFYSA-N 495.632 7.172 50 10 JKGE Brc1scc([C@H](Br)c2ccc(-c3ccccc3)s2)c1Br 2206135128 KVPZAZGIUBMFOF-ZDUSSCGKSA-N 493.083 7.486 50 10 JKGE Cc1sc(C(=O)N(Cc2ccccc2)[C@@H](C)CCBr)c(C)c1Br 2210614160 MLUGLBATMCRFIH-LBPRGKRZSA-N 459.247 5.943 50 10 JKGE COc1cscc1[C@@H](Br)c1c(Br)cc(Cl)c(Cl)c1Cl 2224324515 VPHRTJIROYVFPL-SNVBAGLBSA-N 465.421 6.964 50 10 JKGE Cc1sc([C@@H](Br)c2cc(F)c(Br)cc2F)c(Br)c1C 2229320315 RZMCAQZRISWRGP-LBPRGKRZSA-N 474.990 6.652 50 10 JKGE CCOCc1cc(Br)c([C@@H](Cl)c2cc(Cl)ccc2Br)s1 2233036492 WNMPGVYIDOAFJF-ZDUSSCGKSA-N 459.030 6.791 50 10 JKGE Fc1cc(Br)c(Br)cc1[C@H](Br)Cc1cccc(Cl)c1F 2233975168 ITNUWZSLSJXZMM-SECBINFHSA-N 489.379 6.822 50 10 JKGE Cc1cc(Br)c([C@@H](Br)C2(C)C(C)(C)C2(C)C)c(C)c1Br 2235616094 YCGKCRVHMUKHJA-CQSZACIVSA-N 467.083 7.337 50 10 JKGE COc1cc(Br)c([C@@H](Br)c2ccc(F)cc2Br)cc1C 2236015048 YXAVQTLOZKESSY-HNNXBMFYSA-N 466.970 6.152 50 10 JKGE Cc1cc(Br)c([C@@H](Br)c2cc3c(cc2Br)OCCO3)s1 2237634406 XRKRQDIBVHJXDX-ZDUSSCGKSA-N 483.019 5.837 50 10 JKGE COc1c(Br)cc(C)cc1[C@H](Cl)c1cc(C)ccc1I 2240999809 DCAGJGFUMCREBU-OAHLLOKOSA-N 465.556 6.007 50 10 JKGE CC(C)C1CC([C@@H](Br)c2c(F)cc(Br)c(F)c2Br)C1 2272720981 CDGOGRYTRNGQQF-WZQIAMPNSA-N 460.982 6.608 50 10 JKGE Brc1cc(Br)cc(C[C@H](Br)[C@@H]2CC23CCCCC3)c1 2277952001 CEGRZYLZNRLINQ-GJZGRUSLSA-N 451.040 6.488 50 10 JKGE CC(C)(C)C1([C@@H](Br)Cc2cc(Br)cc(Br)c2)CCC1 2277954979 GWYZKHPHHFGKPF-AWEZNQCLSA-N 453.056 6.734 50 10 JKGE COc1cc(OC)c([C@@H](Br)c2ccc(Br)o2)cc1Br 2278038642 GWMXMKLIYOTIQT-CYBMUJFWSA-N 454.940 5.306 50 10 JKGE Cc1cccc([C@@H](Cl)c2c(F)cc(Br)c(F)c2Br)c1Br 2288496557 INPDLNFOOLQAED-CYBMUJFWSA-N 489.379 6.889 50 10 JKGE CCOC(=O)c1c(NC(=O)C(C#N)=Cc2ccc(-c3cccc(C(F)(F)F)c3)o2)sc(C)c1C 2294818804 OMHQTJMHEVKFQG-UHFFFAOYSA-N 488.487 6.366 50 10 JKGE Cc1cc(C=C(C#N)C(=O)Nc2ccccc2Br)c(C)n1-c1cc(Cl)cc(Cl)c1 2297491144 BHBYVOYCTRPQGS-UHFFFAOYSA-N 489.200 6.709 50 10 JKGE Clc1cc(I)c([C@@H](Br)c2cc3sccc3s2)s1 2300954517 YYUMYYAAVJRAPX-JTQLQIEISA-N 475.623 6.767 50 10 JKGE FC(F)(F)[C@@H]1C[C@@H]1C[C@@H](Br)c1sc(Cl)cc1I 2301082017 VMXWZIVCNICDTP-HSUXUTPPSA-N 459.496 6.031 50 10 JKGE Brc1cc(CO[C@@H]2CCCC[C@@H]2Br)ccc1I 2306300474 AZYNDACQDHYVNW-GXFFZTMASA-N 473.974 5.276 50 10 JKGE Cc1cc(C=C(C#N)c2ccc(Cl)cc2Cl)c(C)n1-c1cc(C(=O)O)cc(C(=O)O)c1 2313562100 DOBWCPXUCGUAFY-UHFFFAOYSA-N 455.297 5.862 50 10 JKGE C=CCc1cc(C=C(C#N)C(=O)Nc2ccc(C)cc2)ccc1OCc1cccc([N+](=O)[O-])c1 2313568945 ZLUQFEYAGMZVDY-UHFFFAOYSA-N 453.498 5.756 50 10 JKGE N#CC(=Cc1cn(Cc2ccc(Cl)cc2)c2ccccc12)C(=O)Nc1cccc(Cl)c1Cl 2313570643 BTPQEONWGLYDPZ-UHFFFAOYSA-N 480.782 7.195 50 10 JKGE CCCOc1c(Br)cc(C=C(C#N)C(=O)Nc2cccc(Cl)c2C)cc1OC 2313730516 ZKLGRMWOSCDVOZ-UHFFFAOYSA-N 463.759 5.754 50 10 JKGE Brc1cc(OCc2ccccc2)ccc1[C@H](Br)C1[C@H]2CCCCC[C@H]12 2314499519 DEXJZOXCZBBYLW-SPEDKVCISA-N 464.241 7.290 50 10 JKGE COC(=O)c1c(NC(=O)C(C#N)=Cc2ccc(-c3cccc(F)c3)o2)sc2c1CCCC2 2314571296 CSRVPCYPBNGAOW-UHFFFAOYSA-N 450.491 5.358 50 10 JKGE Cc1ccc(NC(=O)C(C#N)=C2S[C@H](Cc3ccccc3)C(=O)N2c2ccc(C)c(C)c2)cc1 2314592443 UDVDTYCZOXZMPN-RUZDIDTESA-N 467.594 5.677 50 10 JKGE C=CCN1C(=O)C(=Cc2cn(-c3ccccc3)nc2-c2ccc(SCC)cc2)C(C)=C(C#N)C1=O 2314616807 KDKZMULGLWRYMN-UHFFFAOYSA-N 480.593 5.430 50 10 JKGE CC1=C(C#N)C(=O)N([C@@H](C)c2ccccc2)C(=O)C1=Cc1ccc(-c2ccc([N+](=O)[O-])cc2)o1 2314619088 ZONIRQTUTJTMKT-KRWDZBQOSA-N 453.454 5.208 50 10 JKGE N#CC1=C(N)Oc2cc(OC(=O)C=Cc3ccccc3Cl)ccc2[C@H]1c1ccc(Cl)cc1 2314634018 BVKSQBIMWXADSP-XMMPIXPASA-N 463.320 5.830 50 10 JKGE CCOc1ccc(-c2c(C)sc(NC(=O)C(C#N)=Cc3ccccc3OC)c2C(=O)OC)cc1 2314754213 NCZMPANHHZMBCO-UHFFFAOYSA-N 476.554 5.463 50 10 JKGE CCCOc1ccccc1C=C(C#N)C(=O)Oc1ccc(C(=O)Nc2ccc(C)cc2C)cc1 2314774132 USLSULPWVSASAZ-UHFFFAOYSA-N 454.526 5.857 50 10 JKGE C[C@]12C[C@H](C1)[C@H]([C@H](Br)c1c(Br)sc(Br)c1Cl)CO2 2315924655 NNWQYTZONBQPPS-MUDKDPIVSA-N 479.459 6.178 50 10 JKGE Clc1cc(I)c([C@H](Br)[C@@H]2C[C@H]2c2ccccc2)s1 2316601727 XFGGWATYWPCEMD-OPQQBVKSSA-N 453.570 6.246 50 10 JKGE Cc1cc(Br)c(F)c(Br)c1[C@@H](Cl)c1ccc(Br)s1 2317422492 JMOCHUAVUXBCRR-NSHDSACASA-N 477.418 6.811 50 10 JKGE CC(C)C[C@H](NC(=O)OC(C)(C)C)C(=O)NN=Cc1ccccc1OCc1ccc(Cl)cc1 2328824708 ZKEIDNSFIVLAME-NRFANRHFSA-N 474.001 5.309 50 10 JKGE COc1cc(C(O)=C(C#N)c2nc(-c3ccc(Cl)cc3Cl)cs2)c([N+](=O)[O-])cc1OC 2331254624 HDFKBBOOAKEMCY-UHFFFAOYSA-N 478.313 5.992 50 10 JKGE CC[C@@H](C)N1C(=O)c2ccc(C(O)=C(C#N)c3nc(-c4ccc(OC)c(C)c4)cs3)cc2C1=O 2331259171 UQVNDGIVZQHPLT-OAHLLOKOSA-N 473.554 5.472 50 10 JKGE CCOc1ccc(C=C(C(O)=C(C#N)c2nc(-c3cccc(Cl)c3)cs2)c2ccccc2)cc1 2331294147 VTHMXUIRBAAYOU-UHFFFAOYSA-N 485.008 7.896 50 10 JKGE Brc1cc(OCc2ccccc2)ccc1[C@H](Br)c1cc2ccccc2s1 2336052328 ZXBUGZJLIDBIGA-QFIPXVFZSA-N 488.244 7.727 50 10 JKGE CC1(C)C2CCC1([C@H](Br)c1cc(Br)ccc1OCc1ccccc1)CC2 2336078337 PBNOIAVOCUWRND-VSZUSUSQSA-N 478.268 7.681 50 10 JKGE CCC(CC)C[C@H](Br)c1c(C)cc(Br)c(OC)c1Br 2339655553 FKJZOEDUOAOXRO-NSHDSACASA-N 457.044 6.791 50 10 JKGE CCCC1([C@@H](Br)c2c(C)cc(Br)c(OC)c2Br)CC1 2339687911 BECLMAVYTLLFOE-AWEZNQCLSA-N 455.028 6.545 50 10 JKGE CCC(CC)(CBr)CN(C)Cc1c(Br)cccc1Br 2340638962 WXPVAHJVTWKMPZ-UHFFFAOYSA-N 456.060 5.845 50 10 JKGE CC(C)[C@@H]1CC[C@@H](Br)[C@@H](Cc2ccc(Cl)cc2I)C1 2341028124 RVBMGTTVUQGILN-UXIGCNINSA-N 455.605 6.323 50 10 JKGE FC1(F)CCC2(CC1)C[C@H]2[C@H](Cl)c1cc(Br)ccc1OCc1ccccc1 2361202393 ATYPLEPGZRJDSS-AZUAARDMSA-N 455.770 7.524 50 10 JKGE N#C/C(C(=O)Nc1ccccc1)=C1\S[C@@H](Cc2ccccc2)C(=O)N1c1ccc(Cl)cc1 1790522 ZNOJHIBLRHIVFY-SCIJIFGBSA-N 459.958 5.405 50 10 JKGE Cc1ccc2nc(N(/N=C/c3ccc([N+](=O)[O-])o3)C(=O)c3ccc(Br)s3)sc2c1 9628910 KRRYWMGKANBNGY-AWQFTUOYSA-N 491.348 5.611 50 10 JKGE CCc1ccc(N2C(N)=C(C#N)[C@H](c3cc(C)sc3SC)C3=C2CC(C)(C)CC3=O)cc1 9982336 UUTYTKRLTKAOMS-QFIPXVFZSA-N 463.672 6.282 50 10 JKGE CC[C@H](C)c1ccc(OCC(=O)NNC(=O)COc2ccc([C@H](C)CC)cc2)c(Br)c1 14832322 FFAJWDXMBHDOND-SJORKVTESA-N 491.426 5.081 50 10 JKGE N#C/C(=C/c1ccc(OC(=O)c2ccc(S(=O)(=O)N3CCCCC3)cc2)cc1)c1ccccc1 31900083 YAQJQLYGAHABSG-CLCOLTQESA-N 472.566 5.145 50 10 JKGE CCOC(=O)c1c(NC(=O)COC(=O)/C(C#N)=C\c2cc(C)n(CCC(C)C)c2C)sc(C)c1C 33595703 GAOLLZVHKSCKRG-MTJSOVHGSA-N 499.633 5.095 50 10 JKGE N#C/C(=C\c1ccccc1/C=C(/C#N)c1ccccc1Br)c1ccccc1Br 34703903 AUVGGBLKLLMPDE-LRVMPXQBSA-N 490.198 7.340 50 10 JKGE CCCCOc1ccc(C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@H]3c2ccccc2OC)cc1 38650026 OUVVFPZEMYYTOS-SANMLTNESA-N 470.525 5.311 50 10 JKGE COc1cccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)Cc4cccc5ccccc45)ccc32)c1 38650198 DHOSNYABBFGNIO-NDEPHWFRSA-N 462.505 5.215 50 10 JKGE CCc1ccc(O[C@H](C)C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@H]3c2ccc(Cl)cc2)cc1 38651414 ROBBGMMRJJNSNO-CPJLOUKISA-N 474.944 5.493 50 10 JKGE Cc1cccn2c(=O)c(/C=C(/C#N)C(=O)Nc3ccc(Cl)cc3)c(Oc3ccccc3Cl)nc12 39858677 SXFLCQCHKUJVMT-SSZFMOIBSA-N 491.334 5.648 50 10 JKGE CCCCCCOc1ccc(/C=C(\C#N)C(=O)Nc2ccc([N+](=O)[O-])cc2OC)cc1OC 40853664 RIAPTVQYOWZMNI-QGOAFFKASA-N 453.495 5.117 50 10 JKGE Cc1ccc(NC(=O)/C(C#N)=C/c2cc(C)n(-c3ccc(N4CCOCC4)cc3)c2C)cc1C 59087074 LQNOFWVYYYXRGB-JJIBRWJFSA-N 454.574 5.093 50 10 JKGE Cc1ccc(NC(=O)/C(C#N)=C\c2ccc(OCc3cccc(F)c3)c(Br)c2)cc1 59335204 JCDHLOGYNHDCRG-ODLFYWEKSA-N 465.322 6.021 50 10 JKGE O=C(N/N=C(/CSc1nc2ccccc2o1)c1cccc(Br)c1)c1ccccc1 59460635 XRBXOOZECZWPFU-PLRJNAJWSA-N 466.360 5.517 50 10 JKGE O=C(N/N=C/c1ccc(OCc2ccc(F)cc2)c(Br)c1)c1cc2ccccc2o1 59680271 VMPULOQCIFWJTJ-LGJNPRDNSA-N 467.294 5.677 50 10 JKGE Cc1cc([C@H](Br)c2cc(Br)ccc2Cl)c(C)cc1Br 70472236 XGHFOMMBHMXUCV-HNNXBMFYSA-N 467.426 6.966 50 10 JKGE COc1ccc([C@H](Br)c2ccc(Br)c(F)c2)c(Br)c1 104036898 BGLXSCSHVZPPLC-CQSZACIVSA-N 452.943 5.844 50 10 JKGE Clc1ccc(Cl)c([C@H](Br)c2cc3c(cc2Br)OCCO3)c1 109865633 QHGWMTJOJNAOIL-OAHLLOKOSA-N 452.957 6.011 50 10 JKGE Cc1cc(Br)cc([C@@H](Cl)c2cc(Br)c(Br)s2)c1 132021439 WIEGYPOTKZDIGO-LLVKDONJSA-N 459.428 6.672 50 10 JKGE BrCC(CBr)(CCOc1cccc(Br)c1)C1CCCC1 160146739 XVJXAAUGERXSEA-UHFFFAOYSA-N 469.055 6.184 50 10 JKGE Cc1cccc([C@@H](Br)c2cc(Br)ccc2Br)c1Cl 163000764 MIGLJXOHVRYVHM-CYBMUJFWSA-N 453.399 6.658 50 10 JKGE Cc1c(Br)cccc1[C@@H](Br)c1csc2c(Br)cccc12 163505426 JOUPBHIEPSCHEN-OAHLLOKOSA-N 475.043 7.219 50 10 JKGE 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 195783149 KUJXAJMABXMSCW-MAIKWSJFSA-N 460.775 7.170 50 10 JKGE Cc1ccc(S(=O)(=O)/C(C#N)=C\c2cn(-c3ccccc3)nc2-c2ccc3c(c2)OCO3)cc1C 210035172 IZSHXVPGBPWDSO-CFRMEGHHSA-N 483.549 5.223 50 10 JKGE COCCCN1C(=O)C(C#N)=C(C)/C(=C/c2cn(-c3ccccc3)nc2-c2c(C)cc(C)cc2C)C1=O 214289090 SNYCYVGUALTBTD-XYGWBWBKSA-N 494.595 5.093 50 10 JKGE CC[C@@H](NC(=O)/C(C#N)=C\Nc1ccc(Br)c(C)c1)c1ccc2c(c1)CCCC2 217192726 QSCMBFQOMGOSFS-HVQRGMKJSA-N 452.396 5.723 50 10 JKGE CC(C)COCCC(CBr)(CBr)c1cccc(Br)c1 232600248 HHBSTJAUVPLAHM-UHFFFAOYSA-N 457.044 5.539 50 10 JKGE Cc1cc([C@H](Br)c2cccc(C)c2I)c(Cl)cc1F 235865907 BPJPXEZKPBLVPV-CQSZACIVSA-N 453.520 6.185 50 10 JKGE COC(=O)CC[C@H](C)[C@@H]1CC[C@H]2[C@@H]3CC=C4C[C@H]5CC[C@]4(C)[C@@]3(O5)C(=O)[C@H](Br)[C@]12C 253579383 ZOLSFJBCIQJBLX-NFKXTUHSSA-N 479.455 5.229 50 10 JKGE Cc1cccc(-c2nn(-c3ccccc3)cc2C=NNC(=O)COc2ccc(C(C)C)cc2)c1 254505002 MNDJJWJWMJGEEN-UHFFFAOYSA-N 452.558 5.500 50 10 JKGE CCCCCCc1cc2cc(C(=O)Nc3ccccc3)c(=NNC(=O)c3ccccc3)oc2cc1O 254800340 HJGKAZSVTVFUDX-UHFFFAOYSA-N 483.568 5.759 50 10 JKGE Cc1cc(CC(CBr)(CBr)c2ccccc2Br)cs1 311912748 CKRYEHADOIMSOT-UHFFFAOYSA-N 467.064 6.089 50 10 JKGE CCCOc1ccc([C@H](Br)c2cccc(OCc3ccccc3)c2)cc1Br 312917694 LXCIXDLTZKCAQW-HSZRJFAPSA-N 490.235 7.301 50 10 JKGE C[C@H](Cl)c1nc2cc(F)c(Br)cc2n1CC[C@@H](C)N(C)Cc1ccccc1 379605440 IPLZICITERYMSC-CABCVRRESA-N 452.799 6.148 50 10 JKGE Fc1cc([C@H](Br)c2cc(Br)sc2Br)c(F)c(F)c1F 396046131 WDLWEDYTOCYXEO-ZETCQYMHSA-N 482.916 6.314 50 10 JKGE Clc1cc([C@@H](Br)c2cscc2Br)c(Cl)c(Cl)c1Cl 404804324 MCSOOGAIZHODDR-MRVPVSSYSA-N 469.840 7.609 50 10 JKGE CC(C)(C)[Si](C)(C)OCc1ccccc1[C@@H]1COCCN(S(=O)(=O)c2ccccc2)C1 616595353 VSTACOQXBGHLBI-NRFANRHFSA-N 461.700 5.013 50 10 JKGE CC(C)(C)[Si](C)(C)OCc1ccc([C@H]2CCN(S(=O)(=O)c3ccccc3)c3ccccc32)cc1 616676690 XGUCPBWIJUVCKR-RUZDIDTESA-N 493.745 6.939 50 10 JKGE c1ccc(P(c2ccc3c(c2)sc2ccccc23)c2cccc3c2oc2ccccc23)cc1 642814012 MRVCLPVNOYBWLQ-UHFFFAOYSA-N 458.522 7.712 50 10 JKGE O=C(COc1ccc(Cl)cc1Br)NN=Cc1cccc(Oc2ccccc2)c1 1084127833 JSKRXVITCNPXDV-UHFFFAOYSA-N 459.727 5.424 50 10 JKGE Cc1cc(C=NNC(=O)[C@H](C)SCc2ccccc2)c(C)n1-c1ccc(Cl)cc1Cl 1084211485 QNZPLUNVZZYASU-KRWDZBQOSA-N 460.430 6.173 50 10 JKGE O=C(NN=C(Cc1ccccc1)c1ccc(-c2ccccc2)cc1)c1ccccc1Br 1084212234 XMFZWDZOVGCQOR-UHFFFAOYSA-N 469.382 6.493 50 10 JKGE CCOc1ccc(C(=O)NN=Cc2ccc(OCc3ccc([N+](=O)[O-])cc3)c(Br)c2)cc1 1084567559 MNDVTUFVPISOTR-UHFFFAOYSA-N 498.333 5.099 50 10 JKGE CCOc1ccc2nc(Sc3ccc(C=NNC(=O)c4cc5ccccc5cc4O)o3)sc2c1 1084615401 KWWGXWNGCQWXQN-UHFFFAOYSA-N 489.578 6.062 50 10 JKGE O=C(Nc1ccccc1C(=O)NN=Cc1ccc(OCc2ccccc2)cc1)c1cccs1 1084656383 OJQIIBNDECHPOG-UHFFFAOYSA-N 455.539 5.343 50 10 JKGE Cc1c(C(=O)Nc2cc(Cl)cc(Cl)c2)oc2c1C(=NNC(=O)c1ccccc1)CCC2 1772745004 QBNCFPJIUKSLGT-UHFFFAOYSA-N 456.329 5.618 50 10 JKGE COc1ccc(-c2nn(Cc3ccc(F)cc3)c3c2[C@H](c2ccc(N(C)C)cc2)C(C#N)=C(N)O3)cc1 1865684130 UJULEBVSACOPIB-RUZDIDTESA-N 495.558 5.030 50 10 JKGE Cc1ccc([C@H]2C(C#N)=C(N)Oc3c2c(-c2ccccc2)nn3Cc2c(F)cccc2Cl)cc1 1865685742 MKOHPIQPJJZAJX-QHCPKHFHSA-N 470.935 5.918 50 10 JKGE CCCc1nn(CCC)c2c1[C@H](c1ccc(OCc3ccccc3)c(OC)c1)C(C#N)=C(N)O2 1865686881 DIEVDLINQIYKIB-XMMPIXPASA-N 458.562 5.051 50 10 JKGE CCc1nn(-c2ccccc2Cl)c2c1[C@H](c1c(OC)ccc3ccccc13)C(C#N)=C(N)O2 1865688161 LQEPLYKPHFREGZ-QHCPKHFHSA-N 456.933 5.468 50 10 JKGE Cc1nn(-c2ccccc2Cl)c2c1[C@@H](c1ccc(OCc3ccccc3)cc1)C(C#N)=C(N)O2 1865690437 RAPFXSYCJRLSNU-VWLOTQADSA-N 468.944 5.631 50 10 JKGE CCOc1cccc([C@H]2C(C#N)=C(N)Oc3c2c(-c2ccccc2)nn3-c2cccc(Cl)c2)c1 1865690729 ZRQRNSIOUBHZBH-QHCPKHFHSA-N 468.944 5.810 50 10 JKGE CCCCCOc1ccc([C@H]2C(C#N)=C(N)Oc3c2c(C)nn3Cc2cccc(Cl)c2)cc1OC 1865694795 BVBUVLACPLAJPT-VWLOTQADSA-N 493.007 5.689 50 10 JKGE Cc1nn(Cc2ccc(Cl)c(Cl)c2)c2c1[C@@H](c1c[nH]c3ccccc13)C(C#N)=C(N)O2 1865698843 DOFAWOIYQPXREX-OAQYLSRUSA-N 450.329 5.246 50 10 JKGE COc1ccc(-c2nn(-c3ccc(Cl)cc3)c3c2[C@@H](c2sccc2C)C(C#N)=C(N)O3)cc1 1865699264 OUGREWRLJZHBAF-FQEVSTJZSA-N 474.973 5.789 50 10 JKGE COc1ccc(-c2nn(Cc3cc(C)ccc3C)c3c2[C@H](c2ccc(F)cc2F)C(C#N)=C(N)O3)cc1 1865702322 SOKQMQDKGXWAGV-RUZDIDTESA-N 498.533 5.720 50 10 JKGE Cc1ccc(Cn2nc(C(F)(F)F)c3c2OC(N)=C(C#N)[C@@H]3c2ccccc2OC(C)C)cc1 1865704924 IAYJTOJUVMRYJS-FQEVSTJZSA-N 468.479 5.264 50 10 JKGE CC[C@](C)(NC(=O)C[C@@H](c1ccc(OC)c(C)c1)C(C)C)C(=O)Nc1ccc(SC#N)cc1 1866772986 WEGGAPPDOYLUNH-GJZUVCINSA-N 467.635 5.630 50 10 JKGE COCCc1nc(Nc2ccc(SC#N)cc2)cc(N2C[C@@H](C)Cc3c(C)ccc(C)c32)n1 1868253029 AKVXQXMEVCPTQZ-KRWDZBQOSA-N 459.619 5.929 50 10 JKGE C[C@@H]1CN(c2cc(Nc3ccc(SC#N)cc3)nc(-c3ccccc3)n2)C[C@@H](C)N1c1ccccc1 1868364895 HDOGDKCXDNBYHN-FGZHOGPDSA-N 492.652 6.564 50 10 JKGE CCCCCCCCCOc1ccc(/C=C(\C#N)S(=O)(=O)c2ccccc2)cc1Br 1872727251 JWGHXNHJJBFYIY-OQKWZONESA-N 490.463 6.917 50 10 JKGE COc1ccc(-c2csc(/C(C#N)=C(\O)c3ccc(N4CCCC4)c([N+](=O)[O-])c3)n2)cc1OC 1872745519 RANPGFACRLBOOG-QJOMJCCJSA-N 478.530 5.286 50 10 JKGE COc1ccc(-c2csc(/C(C#N)=C(\O)[C@@H](CC(C)C)N3C(=O)c4ccccc4C3=O)n2)cc1 1872746055 PDIJKXNBSLCPDZ-LAGVDGIJSA-N 473.554 5.322 50 10 JKGE CCc1cccc(C)c1N1C[C@@H](/C(O)=C(\C#N)c2nc(-c3ccc(Cl)cc3)cs2)CC1=O 1872748343 TYWRTHDLKRYIQR-FCFMXISVSA-N 463.990 6.180 50 10 JKGE Cc1ccc(C)c(-c2csc(/C(C#N)=C(\O)c3ccc4c(c3)C(=O)N(C3CCCCC3)C4=O)n2)c1 1872749977 QNTLAXINEGBWAX-BZZOAKBMSA-N 483.593 6.306 50 10 JKGE COc1ccc(-c2csc(/C(C#N)=C(\O)[C@H]3CC(=O)N(Cc4ccccc4)C3)n2)c2ccccc12 1872758644 JOWLMCIFXHIYNY-MKNVGELUSA-N 481.577 5.813 50 10 JKGE COc1cc(/C=C(\C#N)c2nc(-c3ccccc3)cs2)ccc1OCc1ccc(Cl)cc1 1872789973 CBEBWENMIHLWNN-FYJGNVAPSA-N 458.970 7.115 50 10 JKGE COc1cc(Br)cc(/C=C(\C#N)c2nc(-c3ccc4c(c3)OCCO4)cs2)c1O 1872791681 ORHBEKOJZHUNNL-MKMNVTDBSA-N 471.332 5.122 50 10 JKGE CCCCCOc1ccc(/C=C(\C#N)c2nc(-c3cc(C)cc(C)c3OC)cs2)cc1OC 1872792522 DLLUHNVLZPQGEV-KGENOOAVSA-N 462.615 7.077 50 10 JKGE Cc1cc(Br)c([C@@H](Br)C2CC3(CCCC3)C2)cc1Br 1912587068 PUGLKKVFUHCMHZ-HNNXBMFYSA-N 451.040 6.926 50 10 JKGE COc1cc(C)c(Br)cc1[C@H](Br)c1c(C)nsc1Br 1912976767 VRYCRIKXOUKAOJ-LBPRGKRZSA-N 470.024 5.778 50 10 JKGE C[C@H](CCCl)N(Cc1ccccc1)C(=O)c1cc(Br)ccc1Br 1915091943 DJTSBGMXJBSYKX-CYBMUJFWSA-N 459.609 5.871 50 10 JKGE Cc1cccc(C(=O)N(Cc2ccccc2)[C@@H](CBr)C2CC2)c1I 1915315119 URHFOKCNWCFSJO-SFHVURJKSA-N 498.202 5.416 50 10 JKGE Cl[C@@H](Cc1ncccc1Br)c1ccc(Br)cc1Br 1924859246 AJDIXNORSJSWLN-LBPRGKRZSA-N 454.387 5.892 50 10 JKGE Brc1cccnc1C[C@H](Br)c1c(Br)cccc1Br 1924879929 VDDCNNOAMYPIRY-NSHDSACASA-N 498.838 6.048 50 10 JKGE CC(C)Cc1ccccc1[C@@H](Br)c1c(Cl)sc(Br)c1Cl 1925549403 UZIWKUHCMPBXSZ-GFCCVEGCSA-N 457.058 7.500 50 10 JKGE CC(C)(C)OC1CC([C@H](Br)c2c(Cl)sc(Br)c2Cl)C1 1925565829 HRQXKVKFITYVOI-IEIXJENWSA-N 451.051 6.847 50 10 JKGE Cn1cc([C@H](Br)c2sc(Br)cc2Br)c(Br)n1 1981646610 MHYOLDANYYULSJ-ZETCQYMHSA-N 493.844 5.253 50 10 JKGE C[C@]1([C@H](Br)c2sc(Br)cc2Br)CCCC1(F)F 2002591881 OWFDMNYXZFUBJW-NXEZZACHSA-N 452.984 6.535 50 10 JKGE Cc1cc(Br)c(CBr)c(N(C)[C@@H]2CCN(Cc3ccccc3)C2)c1 2005452191 FDKNPBXOJBZYAY-QGZVFWFLSA-N 452.234 5.363 50 10 JKGE CC(C)N(Cc1ccccc1)S(=O)(=O)c1cc(Br)cc(CBr)c1F 2009647030 UQOLISDAMBZOJB-UHFFFAOYSA-N 479.209 5.082 50 10 JKGE Clc1c(Br)sc(Br)c1[C@@H](Br)[C@@H]1C2C[C@@H]3C1[C@@H]3C2 2016553133 RCRKZVNJFWGRKM-VRSDLUSFSA-N 461.444 6.265 50 10 JKGE Fc1cc(Br)c([C@H](Br)C2CC(Br)C2)c(F)c1Cl 2023366307 LVMXYFGYOMBFBQ-PACJAATDSA-N 453.346 5.990 50 10 JKGE Cc1cc(Cl)c(Br)cc1[C@@H](Br)c1cc(Br)sn1 2023699885 ILBOMCXTXYNXQH-LLVKDONJSA-N 460.416 6.114 50 10 JKGE CCc1nc([C@H](Br)c2ccc(F)c(Br)c2)c(Br)s1 2050333214 CSRARTIBQDXVGW-SNVBAGLBSA-N 457.988 5.854 50 10 JKGE Cl[C@H](c1c(Br)sc(Br)c1Br)[C@H]1CCCCC12CC2 2053370085 DPRSKOZBRRFULJ-XCBNKYQSSA-N 477.487 7.286 50 10 JKGE COc1cc(Cl)c([C@@H](Br)c2cc(Br)sn2)cc1Br 2082377067 NEUKQUXGHJJIHE-LLVKDONJSA-N 476.415 5.814 50 10 JKGE Fc1ccc([C@@H](Br)c2cc3sccc3s2)c(I)c1 2084760134 PNRPRCJMBQNFQE-CYBMUJFWSA-N 453.139 6.191 50 10 JKGE FC(F)(F)C(F)(F)COc1c(Br)cc(Br)cc1CBr 2089648425 IAALGPZNNBVPIU-UHFFFAOYSA-N 476.859 5.683 50 10 JKGE C[C@@H]1CCC[C@@](CBr)(NC(=O)c2csc(Br)c2Br)C1 2093944593 MQIMUZFAWHHZJF-AMIZOPFISA-N 474.056 5.347 50 10 JKGE CN(Cc1c(Br)cccc1Br)C[C@H](Br)C1CCCC1 2111351196 NNXCDEHHFIVTMM-HNNXBMFYSA-N 454.044 5.597 50 10 JKGE CN(C(=O)c1cc(Br)sc1Br)[C@@H]1CCCCC[C@@H]1Br 2115913629 HDWBHASEDODNGH-VHSXEESVSA-N 474.056 5.441 50 10 JKGE BrCc1cc(Br)c(OC[C@@H]2[C@H]3C[C@@H]4[C@H]2[C@@H]4C3)c(Br)c1 2134439465 WMHCQWHBLMPGFU-YNXVLUOKSA-N 450.996 5.387 50 10 JKGE Cc1cc(Br)c(C)c([C@H](Cl)c2cc(Cl)c(Cl)s2)c1Br 2136369021 ZSCKYINJMLMMFG-GFCCVEGCSA-N 463.449 7.525 50 10 JKGE Cc1cc(Cl)c(Br)cc1[C@H](Cl)Cc1ccccc1I 2137636180 BPFJFHOQRGMLCY-CYBMUJFWSA-N 469.975 6.538 50 10 JKGE COc1ccc(C(C)C)cc1[C@@H](Br)c1csc(I)c1 2139058834 KQAWVESEXXLRIG-HNNXBMFYSA-N 451.167 5.969 50 10 JKGE COc1ccc(C[C@H](Br)c2ccc(Br)cc2I)cc1 2142278883 JDJBBKUFLJVURP-AWEZNQCLSA-N 495.980 5.741 50 10 JKGE CN(Cc1ccc(I)c(Cl)c1)C1(CBr)CCCCC1 2142951087 XEJMAKFCYRWRBJ-UHFFFAOYSA-N 456.593 5.474 50 10 JKGE O=C1Cc2cc([C@@H](Cl)c3csc(Br)c3Br)c(Cl)cc2N1 2150342197 RYAFYOITLQGOCK-GFCCVEGCSA-N 455.986 5.749 50 10 JKGE CCCC(CBr)(CCC)CN1CC[C@H](NC(=O)OC(C)(C)C)C(F)(F)CC1 2163057631 CUNNGPLNTQQCGM-INIZCTEOSA-N 455.428 5.592 50 10 JKGE C[C@H](Cl)c1nc2cc(Cl)c(Br)cc2n1[C@@]1(C)CCN(Cc2ccccc2)C1 2169004964 FGAAQTAYDVKVHS-QKKBWIMNSA-N 467.238 6.373 50 10 JKGE C[C@@H](Cl)c1nc2cc(Cl)c(Br)cc2n1[C@H]1[C@@H]2CN(Cc3ccccc3)C[C@@H]21 2169010512 WDPPHQLOYUQDQI-AUKZQPGHSA-N 465.222 6.055 50 10 JKGE ClCc1nc2cc(Cl)c(Br)cc2n1Cc1sncc1Br 2169016795 FOOMGJBVVNHLAY-UHFFFAOYSA-N 455.990 5.458 50 10 JKGE CC(C)(C)OC(=O)N1CCN(CC2(CBr)CCCCCC2)C[C@@H]1CC(F)F 2177313320 WZPFQWLZBFXNKO-INIZCTEOSA-N 453.412 5.298 50 10 JKGE O=C(NCC[C@@H]1CCCC[C@H]1Br)c1ccc(Br)cc1Br 2179635429 LWRLIHSZTBTAGQ-GXFFZTMASA-N 468.027 5.285 50 10 JKGE CC(C)(C)[C@@H]1[C@@H](Br)CCN1C(=O)c1ccc(Br)cc1Br 2185098837 BPWUBLXPSZFIIE-AAEUAGOBSA-N 468.027 5.236 50 10 JKGE Cc1cc(Br)c(C)c([C@@H](Br)C[C@H]2CCCOCC2)c1Br 2201066239 YBLCNJLQAHNCKR-JSGCOSHPSA-N 469.055 6.471 50 10 JKGE COc1cc2c(cc1Br)nc([C@H](C)Cl)n2[C@@H](C)CN(C)Cc1ccccc1 2202311977 MOBURAJXBMHQQK-GJZGRUSLSA-N 450.808 5.800 50 10 JKGE CCn1cc([C@@H](Br)c2cc(Br)c(OC)cc2F)nc1Br 2202910962 BBIMLKJVKVDJEJ-LBPRGKRZSA-N 470.962 5.060 50 10 JKGE Brc1ccc([C@H](Br)[C@H]2C[C@@H]2C2CCCCCC2)c(Br)c1 2203683276 CSTJJTJQKQYYAO-VYDXJSESSA-N 465.067 7.254 50 10 JKGE CCC1CCC(O[C@]2(CI)CCCN(C(=O)OC(C)(C)C)C2)CC1 2217226968 XYTPHBOHVZNZOO-RJYAGPCLSA-N 451.389 5.177 50 10 JKGE Cc1sc(Br)c(C)c1[C@H](Br)c1cccc(F)c1Br 2218801941 ZXHVWRYZBXMMLF-GFCCVEGCSA-N 457.000 6.513 50 10 JKGE Cc1sc([C@@H](Cl)c2cc(Br)ccc2Br)c(Br)c1C 2221823010 FYDZHXKKQVWBHE-LBPRGKRZSA-N 473.455 6.981 50 10 JKGE Fc1cc(Br)c(Br)cc1[C@H](Br)C1(C(F)(F)F)CCC1 2225634670 QDSZNPWYSUWASB-JTQLQIEISA-N 468.908 6.519 50 10 JKGE Clc1c(Br)ccc(CBr)c1N1C[C@@H]2CCC[C@H](C1)N2Cc1ccccc1 2226342658 ZDHVSVDSBPGOFV-HDICACEKSA-N 498.690 6.241 50 10 JKGE FC(F)(F)[C@@H]1CC[C@@H]1COc1c(Br)cc(CBr)cc1Br 2232685074 KBURGUNPJFPMEV-RKDXNWHRSA-N 480.944 6.074 50 10 JKGE COc1ccc([C@@H](Br)c2cc(Br)c(Br)cc2F)c(F)c1 2233976864 QUHDZOBHCPPDJP-CQSZACIVSA-N 470.933 5.983 50 10 JKGE CCc1cc([C@@H](Br)c2cc(Br)sc2C)sc1Br 2248065105 DHECPHUOAVLQBK-NSHDSACASA-N 459.066 6.690 50 10 JKGE COc1ccc([C@@H](Br)c2csnc2Br)cc1I 2248882681 LDCQCAQHUYOGCM-SNVBAGLBSA-N 488.970 5.003 50 10 JKGE Cc1sc([C@@H](Br)c2cc(F)c(Br)cc2Cl)cc1Br 2255971236 ZMAIOSWCDDSFBE-LBPRGKRZSA-N 477.418 6.858 50 10 JKGE CCc1cc([C@H](Cl)Cc2ccccc2I)sc1Br 2255981188 WQYBJMJXAHPGKD-LLVKDONJSA-N 455.586 6.200 50 10 JKGE CC[C@@H]([C@@H](Br)c1c(F)cc(Br)c(F)c1Br)C(C)(F)F 2272726518 OXKDYFZDZFUEMJ-SSDLBLMSSA-N 470.924 6.607 50 10 JKGE Fc1cc(Br)c(F)c(Br)c1[C@H](Br)[C@@H]1CCCOCC1 2272727187 DQRXDPDONVTUIU-RDDDGLTNSA-N 462.954 5.743 50 10 JKGE COc1cc(F)c(Br)cc1[C@H](Cl)c1ccc(Cl)c(I)c1 2283573226 IBMPRZPHVFTECT-CQSZACIVSA-N 489.937 6.183 50 10 JKGE COc1ccc([C@@H](Br)c2c(F)ccc(C)c2F)cc1I 2285005811 FMOBOKVLHUDWLL-CQSZACIVSA-N 453.064 5.371 50 10 JKGE Cc1cc(C=C(C#N)C(=O)Nc2cccc(Cl)c2Cl)c(C)n1-c1cccc2ccccc12 2294155910 BNCVJKSJOKUGGZ-UHFFFAOYSA-N 460.364 7.100 50 10 JKGE Cc1ccc(-c2csc(C(C#N)=CNc3ccccc3OC(F)(F)[C@H](F)Cl)n2)cc1C 2295945933 YGFFXSKHGPSDAJ-NRFANRHFSA-N 463.912 6.910 50 10 JKGE CCOc1ccc(-c2csc(C(C#N)=Cc3ccc(OCC(=O)c4ccc(F)cc4)cc3)n2)cc1 2296801352 BGFMOKSRXPAXDC-UHFFFAOYSA-N 484.552 6.674 50 10 JKGE CC(C)OC(=O)c1c(NC(=O)C(C#N)=Cc2c[nH]nc2-c2ccccc2)sc2c1CCCC2 2296833166 ILEQCHVCDFQHIG-UHFFFAOYSA-N 460.559 5.128 50 10 JKGE Cc1ccccc1CSC(Nc1ccccc1Cl)=C(C#N)S(=O)(=O)c1ccccc1 2297350114 WQTPKWVYUUDWRL-UHFFFAOYSA-N 455.004 6.160 50 10 JKGE N#CC(=Cc1ccccc1)C(=O)Oc1cc(-c2ccc(Br)cc2)c2oc(=O)sc2c1 2297413839 RPDSFIROZWUBKE-UHFFFAOYSA-N 478.323 5.797 50 10 JKGE CC1(C)CC(C=Cc2ccc(C=CC3=CC(=C(C#N)C#N)CC(C)(C)C3)cc2)=CC(=C(C#N)C#N)C1 2297612525 WAKLMYVFVNQOTF-UHFFFAOYSA-N 470.620 7.893 50 10 JKGE Brc1ccc(OCc2ccccc2)c([C@@H](Br)[C@@H]2CCCOCC2)c1 2299505410 WPVVANRTQKRQBF-UZLBHIALSA-N 454.202 6.281 50 10 JKGE CC(C)C1CC([C@@H](Br)c2ccc(OCc3ccccc3)cc2Br)C1 2299524785 HNGMVKWOHIKAND-MYKUNDNFSA-N 452.230 7.146 50 10 JKGE COC(=O)c1c(-n2c(C)cc(C=C(C#N)C(=O)Nc3ccc(F)cc3)c2C)sc2c1CCCC2 2313540563 HZSGHCQBCUBALO-UHFFFAOYSA-N 477.561 5.506 50 10 JKGE N#CC(=Cc1cccc(OCc2c(F)cccc2Cl)c1)C(=O)NCc1ccc2c(c1)OCO2 2313676812 JZMHNHDXDZDDFO-UHFFFAOYSA-N 464.880 5.010 50 10 JKGE Cc1ccc(Cl)cc1NC(=O)C(C#N)=Cc1cn(Cc2ccc(Cl)cc2Cl)c2ccccc12 2313683469 KIZJSJAPGAAEAL-UHFFFAOYSA-N 494.809 7.504 50 10 JKGE Brc1ccc(OCc2ccccc2)c([C@H](Br)[C@H]2C[C@H]2C2CCCC2)c1 2314444774 MVSJSHHYKWVZTD-CNNODRBYSA-N 464.241 7.290 50 10 JKGE CCCCOc1ccc(C=C(C#N)C(=O)Nc2sc3c(c2C(=O)OC)CC[C@@H](C(C)(C)C)C3)cc1 2314737727 NOCLUUHOJMFPKH-HXUWFJFHSA-N 494.657 6.410 50 10 JKGE CCOC(=O)c1c(-c2ccc(CC)cc2)csc1NC(=O)C(C#N)=Cc1ccc(C(C)C)cc1 2314754639 XNHYHSAWOGPCKN-UHFFFAOYSA-N 472.610 6.823 50 10 JKGE Cc1cc(Br)c(F)c(Br)c1[C@H](Br)c1cscc1F 2317404516 UESUPEBDCBDIRP-SNVBAGLBSA-N 460.963 6.344 50 10 JKGE COc1cc([C@H](Cl)c2c(Br)sc(Br)c2Cl)sc1Cl 2317958013 SSORUTVWHKDTTJ-LURJTMIESA-N 471.450 6.978 50 10 JKGE CCCOc1ccccc1C=CC(=O)NNC(=O)c1ccc(-c2ccc(Cl)cc2Cl)nc1C 2321143282 BJXHZNQFNVNUBQ-UHFFFAOYSA-N 484.383 5.627 50 10 JKGE Cc1cc(I)ccc1NC(=O)C(C#N)=CNC1CCCCCCCCCCC1 2325406220 WPMNFIPJMLTYSL-UHFFFAOYSA-N 493.433 6.209 50 10 JKGE COc1ccc(-c2csc(C(C#N)=C(O)C(=Cc3ccc(OC(C)C)cc3)c3ccccc3)n2)cc1 2331273527 JNRFITCGEVMTJE-UHFFFAOYSA-N 494.616 7.639 50 10 JKGE COc1ccc(C(C)(C)C)cc1-c1csc(C(C#N)=C(O)c2ccc(NS(C)(=O)=O)cc2)n1 2331350744 QNIXWTYTKZAILN-UHFFFAOYSA-N 483.615 5.438 50 10 JKGE Cc1ccc(OCCCC(O)=C(C#N)c2nc(-c3ccc(Oc4ccccc4)cc3)cs2)cc1 2331358976 LYSSTBOKUJPPKB-UHFFFAOYSA-N 468.578 7.563 50 10 JKGE CCc1ccccc1OCC(O)=C(C#N)c1nc(-c2cc(Cl)cc(Cl)c2OC)cs1 2331364078 JMXXPKSCDLTOOO-UHFFFAOYSA-N 461.370 6.560 50 10 JKGE COc1c(C)cc(C)cc1-c1csc(C(C#N)=C(O)c2c(Cl)ccc(Cl)c2Cl)n1 2331376391 ZVFCUGRPIJOIQX-UHFFFAOYSA-N 465.789 7.346 50 10 JKGE COc1cc(OC)c(-c2csc(C(C#N)=C(O)C=Cc3ccccc3Cl)n2)cc1Cl 2331378558 AJAJAVWSIMPSGK-UHFFFAOYSA-N 459.354 6.640 50 10 JKGE COc1ccc(-c2csc(C(C#N)=C(O)C=Cc3ccc(Cl)cc3Cl)n2)c(OC)c1 2331385576 QDUIQHSWJKQUAX-UHFFFAOYSA-N 459.354 6.640 50 10 JKGE COc1cc(Cl)c(C)cc1-c1csc(C(C#N)=C(O)[C@H]2CC(=O)N([C@H](C)c3ccccc3)C2)n1 2331390430 LCTMCTCGEITOHK-AEFFLSMTSA-N 494.016 6.183 50 10 JKGE C[C@H](Oc1ccc(Cl)cc1Cl)C(O)=C(C#N)c1nc(-c2ccc(Cl)s2)cs1 2331402226 BSLBMTKMORWKOB-VIFPVBQESA-N 457.791 7.092 50 10 JKGE COc1ccc(Cl)cc1-c1csc(C(C#N)=C(O)C=Cc2cc(OC)c(OC)c(OC)c2)n1 2331410791 DYKBTMFRBYYQIO-UHFFFAOYSA-N 484.961 6.004 50 10 JKGE CCOc1cc(C=C(C#N)c2nc(-c3ccc(Cl)cc3)cs2)ccc1OCc1ccc(C)cc1 2331440131 FNZFBPPXJQKQOE-UHFFFAOYSA-N 487.024 7.814 50 10 JKGE Fc1cc(Br)c(F)c(Br)c1[C@H](Br)[C@H]1C[C@@H]2CC[C@H]1O2 2334719052 BJMYIYRNQKQWIU-IMBOEEOKSA-N 460.938 5.493 50 10 JKGE Cc1ccccc1[C@H](CI)OCc1cccc(I)c1 2341612185 PUNAULKATNWANS-INIZCTEOSA-N 478.111 5.293 50 10 JKGE Cc1cc(CBr)cnc1OCc1cc(I)ccc1Br 2341780006 MUIMWEICWIJAJN-UHFFFAOYSA-N 496.968 5.231 50 10 JKGE CN(Cc1cc(I)ccc1Cl)[C@@H]1CCCCC[C@@H]1Br 2352413157 DIJBAMUGFBJMFC-DZGCQCFKSA-N 456.593 5.473 50 10 JKGE BrCC(CBr)(C[C@@H]1C[C@H]2CC[C@@H]1O2)c1cccc(Br)c1 2354998010 FBGRLMVBMGPTAG-GLQYFDAESA-N 467.039 5.434 50 10 JKGE Brc1ccc(OCc2ccccc2)c([C@H](Br)[C@@H]2CCC[C@H]3CCCC[C@@H]32)c1 2361193809 CNCWTYZJEQLAEA-LOCCHRAXSA-N 492.295 8.071 50 10 JKGE Cc1cc(F)cc([C@H](Br)c2c(Cl)cc(Br)c(F)c2Br)c1 2362252201 DIQUJXKCJVEXGW-LBPRGKRZSA-N 489.379 6.936 50 10 JKGE Fc1cc(CBr)c(N2CC[C@H]3CCN(Cc4ccccc4)C[C@@H]3C2)cc1Cl 2362393705 FQOLBCZCQXTFDC-IEBWSBKVSA-N 451.811 5.722 50 10 JKGE Cc1cc(Br)c(F)c(Br)c1[C@@H](Br)C(F)(F)C1CCCC1 2365225429 JHSUQWPFNNNOJQ-CYBMUJFWSA-N 478.972 6.921 50 10 JKGE CN(CC[C@H](Br)c1cccs1)Cc1ccc(I)c(Cl)c1 2366193655 ZBMUNMKYRPKPLB-LBPRGKRZSA-N 484.628 5.964 50 10 JKGE FC1(F)CC[C@]2(C1)[C@@H](Br)C[C@@H]2OCc1cccc(I)c1 2367339368 GHUZUTBTIIBKDE-IHRRRGAJSA-N 457.096 5.149 50 10 JKGE Cc1scc([C@H](Br)c2cc3c(cc2Br)NC(=O)C3)c1Br 2369587270 OZFZNNBQVXOJPF-CQSZACIVSA-N 480.019 5.560 50 10 JKGE CC(C)(C)Oc1ccc([C@@H](Br)c2nscc2Br)cc1Br 2381315652 QDSUHDGVYMHXIN-GFCCVEGCSA-N 484.051 6.330 50 10 JKGE COc1ccc(C=NNC(=O)[C@@H]2C[C@@H]2c2ccc(C(C)(C)C)cc2)cc1CSCc1ccco1 8456131 BTWZRGKWCWWHCQ-JWQCQUIFSA-N 476.642 6.273 50 10 JKGE Cc1cccc(COc2cccc(/C=N/NC(=O)c3ccc(OCc4ccccc4F)cc3)c2)c1 20408105 UDVOOVREHQYODE-FDAWAROLSA-N 468.528 6.056 50 10 JKGE Cc1cc(C(=O)/C(C#N)=C/C=C2/N(C)c3ccccc3C2(C)C)c(C)n1-c1cccc(C(F)(F)F)c1 33402693 UBQGSMFHDRIHRK-OUDSLWFUSA-N 489.541 7.057 50 10 JKGE Cc1ccccc1OCC(=O)Oc1ccc2c(c1)OC(N)=C(C#N)[C@@H]2c1ccc(C(C)(C)C)cc1 38649725 GZWNZUGSSNVIRQ-HHHXNRCGSA-N 468.553 5.495 50 10 JKGE Cc1ccc(OCC(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@@H]3c2cccc3ccccc23)cc1 38657684 WAPCAPWHACBLRJ-MUUNZHRXSA-N 462.505 5.351 50 10 JKGE Nc1c(NNC(=O)c2ccc(Cl)cc2Cl)ncnc1Nc1cc(Cl)cc(Cl)c1 40701081 CXZMHKJXHCWATM-UHFFFAOYSA-N 458.136 5.173 50 10 JKGE Cc1cc(OC(=O)c2oc3c(c2C)/C(=N/NC(=O)c2ccccc2F)CCC3)cc(C)c1Cl 40812524 INLRBVIJWOXYBQ-TURZUDJPSA-N 468.912 5.687 50 10 JKGE COc1cc(/C=C(\C#N)c2ccc(Cl)cc2)ccc1OC(=O)CCc1ccc(C(C)C)cc1 40996192 DZXOFKTTXUYZTK-LFVJCYFKSA-N 459.973 7.074 50 10 JKGE COc1ccc(/C(CSc2nc3ccccc3[nH]2)=N\NC(=O)c2cccc(Cl)c2)cc1 59460675 FGPISDVVQBJTJP-MEFGMAGPSA-N 450.951 5.151 50 10 JKGE CCCCOc1ccc([C@H](C(=O)NC2CCCCC2)N(Cc2ccc(C)cc2)C(=O)CCl)cc1 97915120 XDLBEHPWEANPQJ-HHHXNRCGSA-N 485.068 5.932 50 10 JKGE COc1ccc(/C=C\C(=O)Oc2ccc(/C=C(/C#N)c3ccc(Cl)cc3)cc2OC)c(OC)c1 98027918 MCMJACROGWKPHT-HGEHBZKWSA-N 475.928 6.049 50 10 JKGE COc1ccc(CN2C(=O)C(C#N)=C(C)/C(=C\c3ccc(OCc4ccccc4)cc3)C2=O)cc1 101340023 YREZELKZXXTQDQ-WGOQTCKBSA-N 464.521 5.067 50 10 JKGE N#C/C(=C/Nc1ccc(Br)cc1F)c1nc(-c2cccc3ccccc23)cs1 102902883 MYANTKWLPVHQQL-QINSGFPZSA-N 450.336 6.841 50 10 JKGE Clc1ccc(C(CBr)(CBr)Cc2sccc2Br)cc1 118670904 LDKITJNYFIKONF-UHFFFAOYSA-N 487.482 6.434 50 10 JKGE COc1c(C)cc(Br)c(C)c1[C@@H](Cl)c1ccc(Br)cc1Cl 125617465 ANIPNFAIIONSAI-HNNXBMFYSA-N 453.001 6.819 50 10 JKGE CC1(C)C(=O)Nc2ccc([C@@H](Br)c3ccccc3I)cc21 157621295 NUTRITWVMUNXBH-OAHLLOKOSA-N 456.121 5.005 50 10 JKGE C[C@@H](Cl)c1nc2cc(I)ccc2n1-c1ccc(F)c(Br)c1 164241053 NWCZIIJYCIFYPU-MRVPVSSYSA-N 479.518 5.832 50 10 JKGE COc1ccc(/C=C\C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@@H]3c2ccc(C(C)C)cc2)cc1 205640799 JQNJHXSSXDLNNB-YFPZVVALSA-N 466.537 5.656 50 10 JKGE CCOC(=O)c1c(NC(=O)/C(C#N)=C\c2cccc3ccccc23)sc2c1CC[C@@H](CC)C2 209407775 YQGDUMLWVJPVNP-MNTXUITRSA-N 458.583 6.139 50 10 JKGE CCc1ccc([C@@H](C)NC(=O)/C(C#N)=C\N2CCN(C(c3ccccc3)c3ccccc3)CC2)cc1 217194642 REGPQZOBOFHURO-KNQUJZAFSA-N 478.640 5.241 50 10 JKGE Cc1cc(Br)c([C@H](Br)COCC(F)(F)F)cc1Br 232344932 GRMNAHDYYLZSAG-SNVBAGLBSA-N 454.906 5.535 50 10 JKGE Fc1ccc(COc2c(Br)cc(CCl)cc2Br)c(Br)c1 236247157 BLICZCRIRRVSMG-UHFFFAOYSA-N 487.388 6.431 50 10 JKGE COc1cc(C)ccc1C(=O)NN=Cc1cc(Br)c(OCc2ccc(C)cc2)c(OC)c1 252623769 OYTHEXNMUOAVGS-UHFFFAOYSA-N 497.389 5.426 50 10 JKGE Cc1ccc(CSc2nnc(SCC(=O)NN=Cc3ccc(C(C)C)cc3)s2)cc1 254708054 SZCNSJYSQPXEHF-UHFFFAOYSA-N 456.662 5.505 50 10 JKGE CCCCCCCCCCCCCC(=O)NN=Cc1ccc(OC(=O)c2ccccc2C)cc1 254827372 UPDIYGXMKGFIEB-UHFFFAOYSA-N 464.650 7.365 50 10 JKGE COc1ccc(C(=O)Oc2cccc(C=NNC(=O)c3ccc(OCc4ccccc4)cc3)c2)cc1 263622690 ZTZAOHSIEMFMNU-UHFFFAOYSA-N 480.520 5.257 50 10 JKGE CCCC[C@@H](CC)COC1(CI)CCN(C(=O)OC(C)(C)C)CC1 303741874 RPQBEJJGDWBIDU-MRXNPFEDSA-N 453.405 5.424 50 10 JKGE ClCc1nc2cccc(Cl)c2n1-c1cc(Br)ccc1I 380010345 DFLGKDQUSJQFHS-UHFFFAOYSA-N 481.946 5.785 50 10 JKGE Fc1ccc([C@@H](Cl)c2scc(C(F)(F)F)c2Br)cc1Br 380478965 KNOAAZUJPNBMFQ-SNVBAGLBSA-N 452.492 6.759 50 10 JKGE C[C@H](Cl)c1nc2c(Br)cccc2n1-c1cccc(I)c1 380545715 OBNQBPJTFMWBHO-VIFPVBQESA-N 461.528 5.692 50 10 JKGE CC(C)(C)[Si](C)(C)OCCc1ccccc1[C@@H]1CCCCCN1S(=O)(=O)c1ccccc1 616629746 LYXVITMDBXFKNH-VWLOTQADSA-N 473.755 6.557 50 10 JKGE CC(C)(C)[Si](C)(C)OCCN1CCNC[C@@H]1c1cccc(CO[Si](C)(C)C(C)(C)C)c1 616636034 JASDJVIIPIUNGP-HSZRJFAPSA-N 464.843 6.177 50 10 JKGE CC(C)(C)OC(=O)NCCN1CCOC[C@H]1c1ccc(CO[Si](C)(C)C(C)(C)C)cc1 616641278 XKIOSDPBKPZSIS-NRFANRHFSA-N 450.696 5.106 50 10 JKGE COCc1cc(Br)c([C@@H](Br)c2cc(C)ccc2Br)s1 688141612 ZXVUVHDHWJVGAR-ZDUSSCGKSA-N 469.036 6.212 50 10 JKGE COCc1cc(Br)c([C@H](Br)c2cc(F)ccc2Br)s1 688144857 LHAMZXNTOZCULQ-GFCCVEGCSA-N 472.999 6.043 50 10 JKGE Cc1cc(Br)c([C@H](Cl)c2scc(Br)c2Br)s1 705408941 JYIKIPGZHOVHLV-QMMMGPOBSA-N 465.457 6.734 50 10 JKGE Cc1ccc([C@@H](Br)c2cc(Br)ccc2F)c(C)c1Br 719540528 VYOWYCDUOQHBJO-OAHLLOKOSA-N 450.971 6.452 50 10 JKGE CCCCc1ccc(-n2c(C)cc(C=NNC(=O)CC[C@@H](O)c3ccc(OCC)cc3)c2C)cc1 1083994095 DSGDJVNUAAHKLU-MUUNZHRXSA-N 475.633 5.799 50 10 JKGE COc1cccc(C(CSc2nc3ccccc3[nH]2)=NNC(=O)c2cccc(Cl)c2)c1 1084408802 IUZXFHUAWRGQBP-UHFFFAOYSA-N 450.951 5.151 50 10 JKGE 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 1085230507 XDHSPKUJYNEBHS-LCPTYRNTSA-N 481.471 5.308 50 10 JKGE Cc1c(C(=O)Nc2cc(Cl)ccc2Cl)oc2c1C(=NNC(=O)c1ccccc1O)CCC2 1772752191 YBUGYGAXZWEXBQ-UHFFFAOYSA-N 472.328 5.323 50 10 JKGE CCc1ccc(OCCCC(=O)NN=Cc2ccc(Cl)cc2Cl)c(Br)c1 1772755698 OXUGXUJLXJMBMN-UHFFFAOYSA-N 458.183 5.628 50 10 JKGE CCCc1nn(Cc2ccc(F)cc2)c2c1[C@H](c1ccc(Cl)c(Cl)c1)C(C#N)=C(N)O2 1865685275 HMPNBUKMDOMPBE-HXUWFJFHSA-N 457.336 5.548 50 10 JKGE COc1ccc(-c2nn(Cc3ccc(C)cc3)c3c2[C@H](c2cc(C)ccc2O)C(C#N)=C(N)O3)cc1 1865687142 KIOZTFLARWHGRN-RUZDIDTESA-N 478.552 5.148 50 10 JKGE CCCCCOc1ccc([C@H]2C(C#N)=C(N)Oc3c2c(CCC)nn3Cc2ccc(Cl)cc2)cc1 1865690567 VBGJKTAZFNXWRR-VWLOTQADSA-N 491.035 6.324 50 10 JKGE COc1ccc(-n2nc(-c3ccccc3)c3c2OC(N)=C(C#N)[C@H]3c2cn(C)c3ccccc23)cc1 1865699047 JNEDJBOAWUQSOA-VWLOTQADSA-N 473.536 5.258 50 10 JKGE CCCOc1ccccc1[C@H]1C(C#N)=C(N)Oc2c1c(-c1ccccc1)nn2Cc1ccccc1Cl 1865703321 SYTJSPNEVYESDV-VWLOTQADSA-N 496.998 6.259 50 10 JKGE CSCC[C@@H](NC(=O)C[C@@H](c1ccc(C)c(C)c1)C1CC1)C(=O)Nc1ccc(SC#N)cc1 1866723992 KZAHTEJKDJBZPZ-DNQXCXABSA-N 481.687 5.637 50 10 JKGE CC1(C)CN(c2cc(Nc3ccc(SC#N)cc3)nc(-c3ccccc3Cl)n2)c2ccccc21 1868414066 HKOCBVKWGLWGMK-UHFFFAOYSA-N 484.028 7.543 50 10 JKGE Cc1ccc(-c2csc(/C(C#N)=C(\O)c3ccc4c(c3)C(=O)N(C(C)(C)C)C4=O)n2)c(C)c1 1872748713 KBTCTIPBPVFWDL-XDOYNYLZSA-N 457.555 5.771 50 10 JKGE N#C/C(=C(/O)c1ccccc1I)c1nc(-c2cccc3ccccc23)cs1 1872752356 YNWJJUFKNUBPFW-UZYVYHOESA-N 480.330 6.518 50 10 JKGE Cc1cc(/C(O)=C(\C#N)c2nc(-c3ccc(Oc4ccccc4)cc3)cs2)ccc1[N+](=O)[O-] 1872753912 UJFMEPCQXVGPTG-FLFQWRMESA-N 455.495 6.769 50 10 JKGE CCOc1ccc(OCC)c(-c2csc(/C(C#N)=C(\O)COc3ccc(Cl)cc3Cl)n2)c1 1872755014 UPMDKCLJNOUYCX-JZJYNLBNSA-N 491.396 6.786 50 10 JKGE CC(C)n1cc(S(=O)(=O)N(Cc2ccccc2)Cc2ccccc2)cc1CBr 1885382558 HWWBZMYUDDVKTF-UHFFFAOYSA-N 461.425 5.355 50 10 JKGE C[C@@H](Cl)CN(Cc1ccccc1)C(=O)c1cc(Br)sc1Br 1914608573 BALPGFUJRFDRBN-SNVBAGLBSA-N 451.611 5.543 50 10 JKGE Cc1c(Br)sc([C@@H](Br)c2csc3ccccc23)c1Br 1922883377 OMUTVHUUGUIKFM-LBPRGKRZSA-N 481.072 7.281 50 10 JKGE Cc1c(Br)sc([C@H](Br)c2cc3sccc3s2)c1Br 1922896671 GZXYMGXZFWWJJX-SNVBAGLBSA-N 487.101 7.342 50 10 JKGE Cc1c(Br)sc([C@H](Br)[C@]2(C)CC[C@@H](C)C2(C)C)c1Br 1922907882 ZCSPCUSPFKUWMX-XHYYPMHDSA-N 473.112 7.480 50 10 JKGE Fc1cccc([C@H](Cl)c2sc(Br)cc2Br)c1Br 1922944429 YQZOYEIWUYTHNO-JTQLQIEISA-N 463.391 6.503 50 10 JKGE Cc1c(Br)sc([C@@H](Br)c2ccc(Cl)cc2F)c1Br 1922954614 PWXOSPSKDICSBI-JTQLQIEISA-N 477.418 6.858 50 10 JKGE Brc1cc2c(cc1[C@H](Br)c1csnc1Br)CCO2 1925265490 XIVZCRSDWUAZDB-NSHDSACASA-N 453.981 5.087 50 10 JKGE Fc1ccc([C@@H](Br)c2c(Cl)sc(Br)c2Cl)c(F)c1F 1925588285 DZXMWWDAAGBSRG-ZCFIWIBFSA-N 454.920 6.719 50 10 JKGE Clc1cc(Br)c([C@@H](Br)c2ccc(Br)cc2Cl)s1 1948829821 XRXYXEPKBVOZJU-JTQLQIEISA-N 479.846 7.064 50 10 JKGE O=C(N[C@@H](CCCCC[C@@H]1CCSS1)C(=O)O)OCC1c2ccccc2-c2ccccc21 1951901416 JRBOKFQATLEIML-HXOBKFHXSA-N 471.644 6.083 50 10 JKGE ClCc1ccc(Br)c(Cl)c1Oc1ccccc1I 2036843050 SIOKDXFCYHDWAS-UHFFFAOYSA-N 457.920 6.238 50 10 JKGE FC1(F)[C@@H]2COC[C@@]21[C@@H](Cl)c1c(Br)sc(Br)c1Br 2043521485 RFGXECFVFPXUNQ-PHTXQJRJSA-N 487.385 5.597 50 10 JKGE FC(F)c1cccc([C@H](Br)c2cc(Br)c(Br)s2)c1 2052471782 OBNKUEWKICODMI-JTQLQIEISA-N 460.963 6.695 50 10 JKGE CCCCCCCOc1ccc(-c2csc([C@H](C#N)C(=O)C(C#N)=Cc3ccccc3)n2)cc1 2084316005 QISCZCBNWKSWCD-RUZDIDTESA-N 469.610 6.943 50 10 JKGE C[C@@H]1Cc2cc([C@@H](Br)c3nscc3Br)cc(Br)c2O1 2090470556 PBSSHKZVQUENHN-KSBSHMNSSA-N 468.008 5.476 50 10 JKGE BrCC1(Cc2ccc(Br)cc2Br)CC2(CCOC2)C1 2095647971 BHUFXGFGOHQCAA-UHFFFAOYSA-N 453.012 5.336 50 10 JKGE O=C(OCc1ccccc1)N1CCC2(CC1)CCN2CC1(CBr)CCCCCC1 2106783518 AQARQYPYHWGVAN-UHFFFAOYSA-N 463.460 5.599 50 10 JKGE Clc1ccc(I)c(CN2CC[C@@H](Br)CC23CCC3)c1 2113557745 CHSIQFDSINVZCL-GFCCVEGCSA-N 454.577 5.227 50 10 JKGE COc1c(Cl)cc(Br)cc1[C@H](Br)c1cc(Cl)sc1Cl 2138242610 KWSDFLFSPBOMMQ-JTQLQIEISA-N 465.421 6.964 50 10 JKGE FC1(F)CCC[C@H]1CCOc1c(Br)cc(CBr)cc1Br 2144194883 CYANSCJZKVKEJI-JTQLQIEISA-N 476.981 6.311 50 10 JKGE COc1ccc(OC)c([C@H](Br)c2c(Br)cccc2Br)c1 2150495997 ZYYPOKSMFIJKBM-HNNXBMFYSA-N 464.979 5.713 50 10 JKGE CCOc1cc(Cl)c([C@@H](Br)c2cc(C)sc2Br)cc1Cl 2157247634 FNIRKHPRMOSNPF-CYBMUJFWSA-N 459.030 7.009 50 10 JKGE Fc1cc2nc(CCl)n([C@@H]3CCCN(Cc4ccccc4)CC3)c2cc1Br 2160560638 RNOGOVIHCFMJDM-MRXNPFEDSA-N 450.783 5.904 50 10 JKGE Clc1cccc(Cl)c1C[C@@H](Br)c1cc(C2CC2)c(Br)s1 2161087535 XZGOLQFAKVHBGZ-LLVKDONJSA-N 455.042 7.374 50 10 JKGE CN(C[C@@H](Br)C1CCCCC1)C(=O)c1csc(Br)c1Br 2167654611 YTWYYTUPVKPJQW-LLVKDONJSA-N 488.083 5.689 50 10 JKGE O=C(c1csc(Br)c1Br)N1C[C@@]2(F)CCC[C@@]2(CBr)C1 2176630553 PKSMQQAAULNSOW-OLZOCXBDSA-N 490.030 5.002 50 10 JKGE CN([C@H]1CC[C@H]1OCc1ccccc1)S(=O)(=O)c1ccc(Cl)c(CBr)c1Cl 2179834272 ZFUVOICADJAEHD-DLBZAZTESA-N 493.250 5.257 50 10 JKGE Cc1cc(Br)c(C)c([C@H](Br)C[C@@H]2C[C@@H]2C(F)(F)F)c1Br 2201070010 AHVUDUUQDPEUIV-ATZCPNFKSA-N 478.972 6.853 50 10 JKGE Clc1ccc(I)c([C@H](Cl)c2ccc(-c3cccs3)s2)c1 2205862003 AATOCCQSNYZBGI-HNNXBMFYSA-N 451.181 7.063 50 10 JKGE Cc1sc(Br)c(C)c1[C@H](Br)c1ccc(OCc2ccccc2)cc1 2213640029 IJVOVLUYKMRBOR-LJQANCHMSA-N 466.238 7.191 50 10 JKGE Fc1cc(Br)c(Br)cc1[C@@H](Br)[C@@H]1CC[C@H]2C[C@H]2CC1 2225615290 FVYJAMARNBNANT-OFYUCFFLSA-N 455.003 6.613 50 10 JKGE COc1cscc1[C@H](Br)c1c(Br)cc(C)c(Br)c1C 2227348048 LVPNBNVQKSNJAH-AWEZNQCLSA-N 469.036 6.383 50 10 JKGE COc1ccc(Br)c(CBr)c1OCc1ccsc1Br 2227744268 GRSVIHGBIUCONB-UHFFFAOYSA-N 471.008 5.756 50 10 JKGE Clc1cc(Br)cc([C@H](Br)Cc2ccc(Br)cc2Cl)c1 2229151838 NZZRINFAQCCQGK-CYBMUJFWSA-N 487.844 7.197 50 10 JKGE Cc1cc([C@@H](Br)c2c(Br)cc(C)c(Cl)c2C)ccc1Br 2232530202 PUOZWSTXHRKHJM-OAHLLOKOSA-N 481.453 7.275 50 10 JKGE Cc1cc(Br)c([C@@H](Br)[C@@H]2CC23CCOCC3)c(C)c1Br 2235610451 FTTUIWBZKVIWRE-NHYWBVRUSA-N 467.039 6.081 50 10 JKGE Cc1cc(Br)c([C@@H](Br)c2cc(Br)cc3c2OCCC3)s1 2237633764 PMTKJYWGRFRCSA-ZDUSSCGKSA-N 481.047 6.391 50 10 JKGE Cc1sc([C@H](Cl)c2cccc(F)c2I)c(Br)c1C 2253471911 TXZLYRZXHCPQPD-LLVKDONJSA-N 459.549 6.199 50 10 JKGE CC(C)[S@](=O)(=NCCCCCCCBr)[C@@H]1CCN(C(=O)OC(C)(C)C)C1 2277441464 AKYFOXIVQMQVHI-WGDIFIGCSA-N 453.487 5.218 50 10 JKGE COc1c([C@H](Br)c2cc(C)sc2Br)cc(Br)c(C)c1C 2284520466 DGUWAJBFWDYQFA-ZDUSSCGKSA-N 483.063 6.691 50 10 JKGE COc1ccc([C@H](Br)c2cc3c(s2)CCCC3)cc1I 2285009482 MUNUFCQMAISIDY-INIZCTEOSA-N 463.178 5.724 50 10 JKGE Fc1cc(Br)c(F)c(Br)c1[C@H](Br)C12CCC(CC1)CC2 2288496472 HUMZLWCFZWPKGL-MLRNSFOPSA-N 472.993 6.896 50 10 JKGE Cc1ccc(NC(=O)C(C#N)=C2S[C@H](Cc3ccc(Cl)cc3)C(=O)N2c2ccc(C)cc2)cc1 2293038860 BKRQFMLNSMUTDP-XMMPIXPASA-N 488.012 6.022 50 10 JKGE FC(F)(F)c1nc([C@H](Br)Cc2cc(Br)cc(Br)c2)cs1 2295345114 IEAMKAKAIFZODD-SECBINFHSA-N 493.968 6.366 50 10 JKGE Cc1ccc(NC(=O)C(C#N)=C2S[C@H](Cc3ccc(C)c(Cl)c3)C(=O)N2c2ccccc2)cc1 2296506698 ANEVWJGZELZNRA-XMMPIXPASA-N 488.012 6.022 50 10 JKGE N#CC(C(=O)N1CCCCC1)=C1S[C@@H](Cc2cccc(Cl)c2Cl)C(=O)N1c1ccccc1 2296507120 UIZJAQUIKXFPMS-FQEVSTJZSA-N 486.424 5.432 50 10 JKGE N#CC(C(=O)N1CCCCC1)=C1S[C@H](Cc2cccc(Cl)c2Cl)C(=O)N1c1ccccc1 2296507121 UIZJAQUIKXFPMS-HXUWFJFHSA-N 486.424 5.432 50 10 JKGE CC(C)OC(=O)c1ccc(NC=C(C#N)c2nc(-c3cc4ccccc4oc3=O)cs2)cc1 2296798472 XXYLUUIYENTZSP-UHFFFAOYSA-N 457.511 5.458 50 10 JKGE CC1=NN(c2cccc3ccccc23)C(=O)C1=CNc1ccc(SC#N)c(Br)c1 2297511332 BYOWOEWGIABNKB-UHFFFAOYSA-N 463.360 5.894 50 10 JKGE CC(=NNC(=O)COc1ccc(C(C)(C)CC(C)(C)C)cc1)c1ccc(-c2ccccc2)cc1 2297635464 GBFVQWBXRYJELZ-UHFFFAOYSA-N 456.630 6.987 50 10 JKGE Brc1ccc(OCc2ccccc2)c([C@@H](Br)CC[C@H]2CCOC2)c1 2299501883 RPCQAINPBJPLPJ-LPHOPBHVSA-N 454.202 6.281 50 10 JKGE FC1(F)CC[C@@H]([C@H](Br)c2cc(Br)ccc2OCc2ccccc2)C1 2299531557 WZWSRSAFWSYOPP-KDOFPFPSSA-N 460.156 6.900 50 10 JKGE Cc1c(Br)sc([C@@H](Br)[C@@H]2OC[C@@H]3CCC[C@@H]32)c1Br 2312249336 ZNVDUOLCVBARTK-MPKXCIJOSA-N 459.041 5.833 50 10 JKGE N#CC(=Cc1cn(CC(=O)Nc2ccc(F)cc2)nc1-c1ccccc1)c1nc(O)c2ccccc2n1 2314433749 RYKVMLVSSZJIBX-UHFFFAOYSA-N 490.498 5.041 50 10 JKGE CC1(C)[C@@H]2CC([C@@H](Br)c3ccc(OCc4ccccc4)cc3Br)C[C@H]21 2314502809 MBXXRBGGGJAOTO-SFHLNBCPSA-N 464.241 7.146 50 10 JKGE CC1=C(C#N)C(=O)N(CC(C)C)C(=O)C1=Cc1cn(-c2ccccc2)nc1C12CC3CC(CC(C3)C1)C2 2314611449 UIKYXAIRTHXNEY-UHFFFAOYSA-N 494.639 5.588 50 10 JKGE C[C@@H]1CC[C@@H]([C@@H](Br)c2c(Cl)cc(Br)c(F)c2Br)C1 2315441026 BDSGGEPJHMAPNI-OPVBNTEQSA-N 463.410 6.876 50 10 JKGE COc1ccc(C=C(C(=O)NNC(=O)c2ccc(-c3cccc(OC)c3)nc2C)c2ccccc2)cc1 2321129245 KBUWMNVMPFSJDU-UHFFFAOYSA-N 493.563 5.076 50 10 JKGE Fc1cc([C@H](Cl)c2cc(Br)c(Br)s2)c(Cl)cc1Cl 2326684959 HVQADDQCEPUZBC-JTQLQIEISA-N 453.385 7.047 50 10 JKGE CCCCc1ccc(-c2csc(C(C#N)=C(O)[C@H](C)Oc3ccc(Cl)cc3Cl)n2)cc1 2331256712 SQXVROAZMRUYEQ-HNNXBMFYSA-N 473.425 7.720 50 10 JKGE C[C@@H](Oc1ccc(Cl)cc1)C(O)=C(C#N)c1nc(-c2cccc(Br)c2)cs1 2331278840 MTLJSQNBCDMPSZ-GFCCVEGCSA-N 461.768 6.486 50 10 JKGE N#CC(=C(O)c1ccc2c(c1)C(=O)N(c1ccccc1Cl)C2=O)c1nc(-c2ccccc2)cs1 2331301118 YJRDTUWEWYAIHP-UHFFFAOYSA-N 483.936 6.214 50 10 JKGE COc1c(C)cc(C)cc1-c1csc(C(C#N)=C(O)C=Cc2ccc(Cl)c(Cl)c2)n1 2331371748 HAGBLAPMNGLCST-UHFFFAOYSA-N 457.382 7.248 50 10 JKGE COc1cc(-c2csc(C(C#N)=C(O)c3ccc([N+](=O)[O-])c(C)c3)n2)c(OC)cc1Cl 2331377327 KOPRWDRVTAWPAQ-UHFFFAOYSA-N 457.895 5.647 50 10 JKGE COc1ccc(-c2csc(C(C#N)=C(O)c3ccc(Cl)cc3[N+](=O)[O-])n2)c2ccccc12 2331408316 WEUHLWNIBUXVLV-UHFFFAOYSA-N 463.902 6.483 50 10 JKGE COc1cc(C=C(C#N)c2nc(-c3cccs3)cs2)ccc1OCc1c(Cl)cccc1Cl 2331450703 PIBHRWLOQSOPSQ-UHFFFAOYSA-N 499.444 7.830 50 10 JKGE CCOc1c(Br)cc(C=C(C#N)c2nc(-c3c(C)cc(C)cc3C)cs2)cc1OC 2331478602 OGXVQCANQZSGFC-UHFFFAOYSA-N 483.431 6.969 50 10 JKGE COc1ccc(-c2csc(C(C#N)=Cc3cc4c(cc3[N+](=O)[O-])OCCO4)n2)c2ccccc12 2331489884 IPTHAWAFWDVZLP-UHFFFAOYSA-N 471.494 5.715 50 10 JKGE COc1ccc(-c2csc(C(C#N)=Cc3cc(Br)ccc3F)n2)c(OC)c1OC 2331492716 JUMTVJLXYYIQLR-UHFFFAOYSA-N 475.339 5.802 50 10 JKGE C=C1C(=O)O[C@@H]2C[C@@H]3[C@]4(C)CC[C@H]([C@H](C)CCC=C(C)C=O)[C@]4(C)CC[C@]34C[C@@]4(CCC(=O)O)[C@H]12 2333297262 YLQIANWVVVMWMO-IWUIWWRBSA-N 482.661 6.123 50 10 JKGE CO[C@H]1C[C@H]([C@@H](Br)c2cc(Br)ccc2OCc2ccccc2)C[C@H]1OC 2336039532 XQVJYKITOPFCTE-HUJKARHJSA-N 484.228 5.904 50 10 JKGE COc1c(Br)cc(C)c([C@H](Br)[C@H]2C[C@H](C)CO2)c1Br 2339657591 ZKNHTUHAQAAHCP-HNBZJPLGSA-N 457.000 5.390 50 10 JKGE Cc1cc(C)c([C@H](Br)c2c(C)cc(Br)c(F)c2Br)s1 2339658569 JPZOJZADHBNYDQ-GFCCVEGCSA-N 471.027 6.822 50 10 JKGE Brc1cc2c(cc1[C@@H](Br)c1ccoc1Br)CCCO2 2343597351 VQBSCPBGUWOJHC-ZDUSSCGKSA-N 450.952 5.614 50 10 JKGE Cc1cc(Br)c(C)c([C@H](Br)[C@H]2CO[C@]3(C)C[C@H]2C3)c1Br 2362907179 RNAFOLGWRFTZIR-DPDCMNJDSA-N 467.039 6.080 50 10 JKGE Cc1c([C@H](Br)c2cc3sc(Br)cc3s2)ccc(Cl)c1Cl 2364441457 UCRJSWYMPQQRQH-ZDUSSCGKSA-N 471.066 7.825 50 10 JKGE Cc1cc(Br)c(F)c(Br)c1[C@H](Br)C(C)(C)[C@@H]1CCCO1 2365189614 WNFJDWBIIUTTRE-HZMBPMFUSA-N 473.018 6.300 50 10 JKGE Cc1cc(Br)c(F)c(Br)c1[C@@H](Br)[C@@H]1CC2(CCC2)CO1 2365223149 KOJSVGBHPOESHP-JQWIXIFHSA-N 471.002 6.054 50 10 JKGE CN(CC[C@@H](Br)c1cccs1)C(=O)c1cc(Br)c(Cl)s1 2366237163 IWAUFKUWLZYFIY-MRVPVSSYSA-N 457.640 5.824 50 10 JKGE Clc1ccc(CN2CC3(CCC3)CC[C@H]2CBr)c(I)c1 2366708649 CIJBKRUSVJJGTL-AWEZNQCLSA-N 468.604 5.474 50 10 JKGE Clc1ccc(CN2C[C@H]3CCCC[C@@]3(CBr)C2)c(I)c1 2366716890 YZQVHRXEWWUIBJ-CZUORRHYSA-N 468.604 5.332 50 10 JKGE COc1ccc([C@@H](Br)c2cc(F)c(Cl)cc2Cl)cc1I 2379736260 JFDMJVAVISKGRC-CQSZACIVSA-N 489.937 6.230 50 10 JKGE Clc1ccc(I)cc1CN1CCC(CCCCBr)CC1 2380515063 LOBJMHVTPQWSRG-UHFFFAOYSA-N 470.620 5.722 50 10 JKGE CSc1sc(C)cc1[C@H]1C(C#N)=C(N)N(c2cccnc2)C2=C1C(=O)C[C@H](c1ccccc1)C2 2480052 JSZYLJNPXONONP-KOSHJBKYSA-N 484.650 5.872 50 10 JKGE CCOc1ccccc1N/C(SCc1c(F)cccc1Cl)=C(/C#N)C(=O)NCc1ccccc1 3052495 MGIOOANGQGSTQP-LGUFXXKBSA-N 496.007 6.275 50 10 JKGE CC(C)(C)c1ccc2c(c1)O[C@@H](C(=O)N/N=C/c1cccc(OC(=O)c3ccccc3Cl)c1)CO2 9434896 LATXTMYUKODGOA-PKEXHZLISA-N 492.959 5.147 50 10 JKGE Cc1ccsc1/C=N/NC(=O)COc1ccc2cc(Br)ccc2c1Br 12491247 IFYSPTVMPZHCST-ZVBGSRNCSA-N 482.197 5.264 50 10 JKGE CC(C)(C)c1ccc(C(=O)NNC(=O)c2ccc(OCCc3ccccc3)c(Br)c2)cc1 14766848 YIESFJUONQHRGV-UHFFFAOYSA-N 495.417 5.443 50 10 JKGE O=C(CSc1nc2ccccc2[nH]1)N/N=C/c1cccc(OCc2c(Cl)cccc2Cl)c1 32520537 UINXQGZENBZCQV-RPPGKUMJSA-N 485.396 5.691 50 10 JKGE N#C/C(=C\c1ccc(-c2ccccc2)o1)c1nc(-c2cc3cc(Cl)ccc3oc2=O)cs1 35518084 WWAAGTKZMNLGKN-GZTJUZNOSA-N 456.910 6.894 50 10 JKGE CC(C)c1nc(N2CCN(C(=O)[C@H](Cl)c3ccccc3)CC2)c2c3c(sc2n1)C[C@H](C)CC3 35865850 YYSHESIIZQTMRF-VGOFRKELSA-N 483.081 5.568 50 10 JKGE COc1ccc(C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@H]3c2cccc3ccccc23)cc1Cl 38688564 GZMTWVGUOWFUGD-SANMLTNESA-N 482.923 5.939 50 10 JKGE Cc1ccc(Oc2nc3c(C)cccn3c(=O)c2/C=C(/C#N)C(=O)Nc2ccccc2Cl)c(C)c1 39858879 LUVFXFBNYCKOQG-RGEXLXHISA-N 484.943 5.611 50 10 JKGE O=C(NNc1ncnc(Nc2cc(C(F)(F)F)ccc2Cl)c1[N+](=O)[O-])c1ccccc1Cl 40583287 VURKIXQECFXIJE-UHFFFAOYSA-N 487.225 5.211 50 10 JKGE CCCCCOc1ccc(/C=N/NC(=O)Nc2sc(C(C)=O)c(C)c2C(=O)OCC)cc1OC 40847029 DMXIHYLAXOBWKZ-AFUMVMLFSA-N 489.594 5.169 50 10 JKGE COc1cc(/C=N/NC(=O)COc2cc(C)c(Cl)c(C)c2)ccc1OCCc1ccccc1 40911653 HDQANZDCQNRVRR-LQKURTRISA-N 466.965 5.116 50 10 JKGE CCOc1ccc([C@H](O)CCC(=O)N/N=C\c2ccccc2OCc2ccc(Cl)cc2)cc1 58895431 RURXUDGENSYVET-WVVPCBRLSA-N 466.965 5.282 50 10 JKGE CCc1ccc(OCC(=O)N/N=C(\C)C(c2ccccc2)c2ccccc2)c(Br)c1 66202603 OEQOFTCBOGUDHA-OVVQPSECSA-N 465.391 5.715 50 10 JKGE COc1ccc(/C=C(/C#N)C(=O)Nc2cc(C(F)(F)F)ccc2Cl)cc1Br 95949603 XOAGSVJNKWZMKP-WDZFZDKYSA-N 459.649 5.676 50 10 JKGE C[C@@H](Cl)c1nc2cc(Br)cnc2n1-c1ccc(I)cc1 98039906 RMPUUHGEWQPFIE-MRVPVSSYSA-N 462.516 5.087 50 10 JKGE Cc1c(C(=O)NNC(=O)c2ccc(Cl)cc2)oc2c1/C(=N\Nc1ccccc1)CC(C)(C)C2 101109070 CGQARLHUGGMLLK-USHMODERSA-N 464.953 5.105 50 10 JKGE COc1ccc(Br)c(COc2c(Cl)cc(Cl)cc2CBr)c1 115758171 NEECEUPMFDCDCJ-UHFFFAOYSA-N 454.973 6.238 50 10 JKGE Clc1ccc(Br)cc1[C@@H](Cl)c1cc(Br)c(Br)s1 128185940 KFTSBMGZMSLLIM-SNVBAGLBSA-N 479.846 7.017 50 10 JKGE Brc1cc([C@H](Br)c2cnn(-c3ccccc3)c2)sc1Br 128552248 BQAFUYSSWJBELL-CYBMUJFWSA-N 477.019 5.943 50 10 JKGE Cc1cc(Br)c([C@H](Br)Cc2c(F)cccc2Cl)cc1Br 128845323 WRNISXNWWFSTIL-CYBMUJFWSA-N 485.416 6.991 50 10 JKGE O=c1[nH]c2cc(Br)c([C@H](Cl)c3cc(Br)ccc3Br)cc2[nH]1 161100231 GUDOPNYWZOHVRJ-CYBMUJFWSA-N 495.396 5.472 50 10 JKGE Brc1cc([C@H](Br)c2cc3c(cc2Br)OCCO3)cs1 232483819 FGRBZLWZEUDTJZ-ZDUSSCGKSA-N 468.992 5.529 50 10 JKGE COc1ccc([C@H](Br)c2cc(Cl)ccc2I)cc1F 234994477 CKWCKRASZQNJAZ-AWEZNQCLSA-N 455.492 5.577 50 10 JKGE COc1cc(F)c([C@H](Br)c2cccc(C)c2I)c(F)c1 235002873 KHFSDJIKALTRRJ-CQSZACIVSA-N 453.064 5.371 50 10 JKGE O=C(NN=Cc1cn(-c2ccccc2)nc1-c1ccc(Cl)cc1Cl)c1cccc(O)c1 254559546 XWJZWERIRJLGPS-UHFFFAOYSA-N 451.313 5.316 50 10 JKGE Cl[C@@H](c1cc2c(cc1Br)OCC2)c1sccc1I 308410323 CWYJEYFTCGWNKD-LBPRGKRZSA-N 455.542 5.378 50 10 JKGE FC1(F)CCCC[C@@H]1[C@H](Br)c1cc(I)cc2c1OCC2 328091750 URJSKISORUPUNZ-CHWSQXEVSA-N 457.096 5.488 50 10 JKGE Fc1ccc2c(c1)nc(CCl)n2-c1ccc(Br)c(I)c1 394395868 AVYPECSNZXEUFZ-UHFFFAOYSA-N 465.491 5.271 50 10 JKGE COc1cc(F)c(Br)cc1[C@@H](Br)c1cc(Br)oc1C 396630722 ZLXGABROAABNKP-ZDUSSCGKSA-N 456.931 5.745 50 10 JKGE Fc1cc(Br)c([C@H](Br)c2cc(Cl)sc2Cl)c(F)c1F 398803300 UPCAZGQYFZQUQI-MRVPVSSYSA-N 454.920 6.719 50 10 JKGE CCCCNc1ncc2c(Br)cn([C@H]3CC[C@H](O[Si](C)(C)C(C)(C)C)CC3)c2n1 575419781 PURHFKDYLFBYCY-CALCHBBNSA-N 481.555 6.911 50 10 JKGE OB(O)c1ccc(-c2c3ccccc3c(-c3ccc(-c4ccccc4)cc3)c3ccccc23)cc1 602985563 GMWSACCOIUBXDM-UHFFFAOYSA-N 450.346 6.674 50 10 JKGE CO[C@@H]1CCC[C@H](O[C@@](C)(CI)c2ccccc2Br)C1 686010123 JQBFLFQWFAJGNR-WWGRRREGSA-N 453.158 5.074 50 10 JKGE COCc1cc(Br)c([C@H](Br)c2ccc(C)c(Br)c2)s1 688143728 HJFYSIZUIAUGIX-CYBMUJFWSA-N 469.036 6.212 50 10 JKGE COC1(CC(CBr)(CBr)c2ccc(Br)cc2)CCCC1 692475771 AMWGFUXZTKSVMX-UHFFFAOYSA-N 469.055 5.826 50 10 JKGE BrCc1cc(Br)c(OCC[C@@H]2CCCCO2)c(Br)c1 699668703 HMIMKEKKLNAUMN-NSHDSACASA-N 457.000 5.445 50 10 JKGE CC1(C)CC[C@@H](CBr)N(C(=O)c2cc(Br)ccc2Br)C1 701595636 MIWGLVCJNPPEQL-NSHDSACASA-N 468.027 5.237 50 10 JKGE O=C(c1scc(Br)c1Br)N1CCC[C@H]1CCCBr 705408449 HMCANQLCSYGGPR-MRVPVSSYSA-N 460.029 5.053 50 10 JKGE Cc1ccc2nc([C@H](C)Cl)n(CC3(N(Cc4ccccc4)Cc4ccccc4)COC3)c2c1 706572196 FKXPSZZANYARQW-QFIPXVFZSA-N 460.021 6.116 50 10 JKGE CCOc1ccc([C@@H](Br)c2scc(Br)c2Br)cc1 707817956 HWADAEJLIKIWNI-LLVKDONJSA-N 455.009 6.156 50 10 JKGE Clc1cccc(CC(CBr)(CBr)C2CCOCC2)c1Br 719393770 JDCFBAHMPIUHSH-UHFFFAOYSA-N 489.473 5.848 50 10 JKGE Cc1ccc(C)c([C@@H](Br)c2ccc(I)c(Br)c2)c1 721594707 QWOOGTNFCIXGAP-HNNXBMFYSA-N 479.981 6.155 50 10 JKGE Cc1ccc(Br)cc1[C@H](Br)c1sc(C)c(Br)c1C 724929015 SYATVJKNTHNQSY-ZDUSSCGKSA-N 453.037 6.683 50 10 JKGE O=C(NCCc1ccccc1)[C@H](c1cccs1)N(C(=O)CCl)c1cccc(C(F)(F)F)c1 725237153 AECGSDVXKISVBB-NRFANRHFSA-N 480.939 5.439 50 10 JKGE Cc1ccc(-n2nc(C)c(C=NNC(=O)[C@H](C)Oc3ccc(Cl)cc3Cl)c2C)cc1C 1084255124 PKWURSSFUUUUHD-KRWDZBQOSA-N 459.377 5.330 50 10 JKGE COc1ccccc1OCC(=O)NN=Cc1c(Br)c(C)n(-c2c(C)cccc2C)c1C 1084538444 ORDAOUMKTVGCJT-UHFFFAOYSA-N 484.394 5.011 50 10 JKGE O=C(OCc1ccccc1)N1C[C@H](c2ccc(F)c(C(F)(F)F)c2)[C@@H](CBr)C1 1614624118 OORZGLQTQCYQEI-JKSUJKDBSA-N 460.265 5.592 50 10 JKGE Cc1ccccc1C(=O)NN=C1CCCc2oc(C(=O)N3c4ccc(F)cc4CC[C@H]3C)c(C)c21 1772743941 ONGLZJCEEGTFQU-QGZVFWFLSA-N 473.548 5.487 50 10 JKGE COc1ccc(-c2nn(Cc3cc(C)ccc3C)c3c2[C@H](c2cccc(Cl)c2)C(C#N)=C(N)O3)cc1 1865684293 VYIHGDUJXWEHMD-RUZDIDTESA-N 496.998 6.095 50 10 JKGE N#CC1=C(N)Oc2c(c(C(F)(F)F)nn2-c2ccccc2Cl)[C@@H]1c1cccc(Cl)c1 1865684445 YOLUZZOPHOJAHE-OAHLLOKOSA-N 451.235 5.416 50 10 JKGE COc1ccc(-c2nn(Cc3cccc(F)c3)c3c2[C@@H](c2cccc(Cl)c2)C(C#N)=C(N)O3)cc1 1865684605 SXHSMQFFLXYXTO-QHCPKHFHSA-N 486.934 5.618 50 10 JKGE Cc1nn(-c2ccc(Br)cc2)c2c1[C@@H](c1c(Cl)cccc1Cl)C(C#N)=C(N)O2 1865686361 UJVMHLTWUPUQIN-KRWDZBQOSA-N 476.161 5.468 50 10 JKGE CCOc1ccc([C@H]2C(C#N)=C(N)Oc3c2c(C(F)(F)F)nn3Cc2c(F)cccc2Cl)cc1 1865693558 KPFMTEPGKXEJGE-SFHVURJKSA-N 492.860 5.360 50 10 JKGE CCCCCOc1ccc([C@@H]2C(C#N)=C(N)Oc3c2c(CC)nn3-c2ccc(C)cc2)cc1OC 1865695674 GHRVQPIEUXLBOJ-RUZDIDTESA-N 472.589 5.539 50 10 JKGE CCCC[C@H](NC(=O)[C@@H](c1ccc(OC)cc1)C1CCCC1)C(=O)Nc1ccc(SC#N)cc1 1867011275 JIRJLGYKBFIQAR-LOSJGSFVSA-N 479.646 5.856 50 10 JKGE COc1ccc(-c2csc(/C(C#N)=C(\O)COc3ccc(C)cc3C(C)(C)C)n2)cc1F 1872752710 OZLCITVGVMUBBT-FXBPSFAMSA-N 452.551 6.435 50 10 JKGE CCc1ccccc1OC/C(O)=C(\C#N)c1nc(-c2ccc(Oc3ccccc3)cc2)cs1 1872754010 YLPQRWKMDAISHR-BZZOAKBMSA-N 454.551 7.036 50 10 JKGE COc1c(Cl)cc(-c2csc(/C(C#N)=C(\O)COc3cc(C)c(Cl)c(C)c3)n2)cc1Cl 1872755831 IKLZKECORRSSSQ-CYVLTUHYSA-N 495.815 7.267 50 10 JKGE COc1cc(OC)c(-c2csc(/C(C#N)=C(\O)c3ccc(F)c(F)c3F)n2)cc1Cl 1872756616 SFUMNJVIVZNYBQ-ODLFYWEKSA-N 452.841 5.848 50 10 JKGE COc1cc(OC)c(-c2csc(/C(C#N)=C(\O)[C@@H]3CC(=O)N(Cc4ccccc4)C3)n2)cc1Cl 1872756762 ZUHJEZXZFXNWQN-MANHQWRXSA-N 495.988 5.322 50 10 JKGE N#C/C(=C(O)\C=C/c1ccc2c(c1)OCCO2)c1nc(-c2cc(Cl)ccc2Cl)cs1 1872758016 HSDGXFZPNSKTLM-WZXCQWAVSA-N 457.338 6.394 50 10 JKGE N#C/C(=C\c1c(OCc2ccccc2)ccc2ccccc12)c1nc(-c2ccccc2Cl)cs1 1872780842 NSKOLHQMRARMGU-CJLVFECKSA-N 479.004 8.260 50 10 JKGE C[C@@](F)(COc1c(Br)cc(Br)cc1CBr)C(F)(F)F 1876597598 NHBAJJINGJZRSJ-SNVBAGLBSA-N 472.896 5.776 50 10 JKGE Clc1cc(I)c([C@@H](Br)C2(Br)CCC2)s1 1888108776 SCIGEBNTHYOPCF-MRVPVSSYSA-N 470.395 5.760 50 10 JKGE COC1(C(F)(F)[C@H](Br)c2cc(Br)c(C)cc2Br)CCC1 1912510077 BLULMSOAQVVDCT-GFCCVEGCSA-N 476.981 6.160 50 10 JKGE C[C@H](Cl)CN(Cc1ccccc1)C(=O)c1cc(Br)ccc1I 1914639543 TVDJRCZTJZWSMN-LBPRGKRZSA-N 492.582 5.323 50 10 JKGE C[C@@H](CCBr)N(Cc1ccccc1)c1ccc(C(F)(F)F)cc1Br 1915087323 UDWJVMBXNBBZGN-ZDUSSCGKSA-N 465.151 6.648 50 10 JKGE O=C(c1cc(Br)ccc1Cl)N(Cc1ccccc1)C1(CBr)CCC1 1915761153 XFKXGWLIHOXXKY-UHFFFAOYSA-N 471.620 6.063 50 10 JKGE Cc1c(Br)sc([C@@H](Br)c2ccc(Cl)c(F)c2)c1Br 1922953508 DTTOAZMXJXOWST-JTQLQIEISA-N 477.418 6.858 50 10 JKGE Fc1cccc(F)c1[C@@H](Br)c1c(Br)sc(Br)c1Cl 1923041164 ZFDYSRXZJIUUHK-MRVPVSSYSA-N 481.381 6.689 50 10 JKGE Clc1cc([C@@H](Cl)Cc2ncccc2Br)ccc1I 1924859450 BPTFKYOIGWWJQK-JTQLQIEISA-N 456.936 5.625 50 10 JKGE Clc1ccc(Cl)c([C@@H](Br)c2c(Cl)sc(Br)c2Cl)c1 1925586618 BEJZZVVWKJRGPH-MRVPVSSYSA-N 469.840 7.609 50 10 JKGE CC(C)(F)[C@@](C)(F)[C@H](Br)c1c(Br)sc(Br)c1Cl 2003231966 MIQYRJCDWPMFPH-LDWIPMOCSA-N 475.418 6.839 50 10 JKGE Cc1c(Br)ccc([C@H](Br)c2sccc2Cl)c1Br 2024295269 PQPRCMKSCGSHRQ-NSHDSACASA-N 459.428 6.719 50 10 JKGE COc1ccc([C@@H](Br)c2sc(Br)cc2Br)cc1Cl 2044957746 CJOKMYWAYLLPCQ-LLVKDONJSA-N 475.427 6.419 50 10 JKGE Cc1nc([C@@H](Br)c2ccc(F)c(Br)c2F)c(Br)s1 2050334875 NZHUAUYOPCQMTG-ZETCQYMHSA-N 461.951 5.739 50 10 JKGE COc1cc(C)c(Br)cc1[C@H](Br)c1cc(Br)sn1 2056492191 WVVMCOXOERZGCC-LBPRGKRZSA-N 455.997 5.469 50 10 JKGE Cc1nn(C)c([C@@H](Cl)c2c(Br)sc(Br)c2Cl)c1Br 2072299754 BFSHSZODPIWGDZ-LURJTMIESA-N 497.865 6.059 50 10 JKGE CN(C[C@H]1C[C@H](Br)C1)c1c(CBr)ccc(Br)c1Cl 2076250079 JKHDGWJAYYYMBZ-CZMCAQCFSA-N 460.435 5.607 50 10 JKGE COc1cc(Cl)c([C@@H](Br)c2nscc2Br)cc1Br 2082382178 LFBMHSGBLWALNT-SNVBAGLBSA-N 476.415 5.814 50 10 JKGE BrCc1ccc(N2CCC[C@@H]2[C@@H]2CCN(Cc3ccccc3)C2)cc1Br 2088999140 AIBFHCRTBVRAHE-DENIHFKCSA-N 478.272 5.835 50 10 JKGE FC1(F)CCCCC[C@@H]1[C@@H](Cl)c1c(Br)sc(Br)c1Cl 2108661036 DLUKQVBLZJHUEI-HTRCEHHLSA-N 457.005 7.422 50 10 JKGE Cc1sc([C@H](Br)c2cc(Cl)c(C)c(Br)c2)c(C)c1Br 2111083419 QGKULRLENMVHPX-CYBMUJFWSA-N 487.482 7.336 50 10 JKGE Cc1cc(Br)c(C)c([C@@H](Br)CC2CC(F)(F)C2)c1Br 2136381104 YDPZQMCMLIOSCG-NSHDSACASA-N 460.982 6.700 50 10 JKGE Cc1c(Br)cc2c(c1Br)CC[C@H](C(F)(F)F)C[C@H]2Br 2138864468 KXEVKDRMEGJRMA-WRWORJQWSA-N 464.945 6.471 50 10 JKGE CCC[C@@H]1CN(Cc2cc(Cl)ccc2I)C[C@@H]1CBr 2140788066 PEXZUIJFIFETPO-YPMHNXCESA-N 456.593 5.188 50 10 JKGE CCCC[C@@H](C)CC[C@@H](Br)c1ccc(Br)c(C)c1Br 2142172133 TUNPGHQMGVCPGX-IAQYHMDHSA-N 455.072 7.563 50 10 JKGE CC(C)(C)OC(=O)NCC1CCS(=O)(=NCCCCCCCCCBr)CC1 2163058661 MJERJOHGACBLIH-UHFFFAOYSA-N 467.514 5.515 50 10 JKGE Fc1ccc(N2CCC[C@@]3(CCN(Cc4ccccc4)C3)C2)c(CBr)c1Cl 2163313132 QQCDHBBCIRFYSL-QFIPXVFZSA-N 451.811 5.867 50 10 JKGE CC(C)(C)OC(=O)NCC[S@@](=O)(=NC[C@@H](CBr)C(C)(C)C)c1ccccc1 2163662060 SBMSMNYYWDKQKH-JWIGPWBQSA-N 461.466 5.095 50 10 JKGE FC1(F)[C@@H]2CC[C@@H](Oc3c(Br)cc(Br)cc3CBr)C[C@H]21 2166005398 SQDOWOAWLDKLGT-GMTAPVOTSA-N 474.965 5.919 50 10 JKGE Fc1cc(Br)c([C@H](Br)c2cccc(F)c2Br)c(F)c1Cl 2201620188 YRSOQNMLBINUHT-LLVKDONJSA-N 493.342 6.767 50 10 JKGE CC[C@]12CO[C@]([C@@H](Br)c3c(C)c(Br)cc(C)c3Br)(C1)C2 2205192935 ODUQBGNIBXQELR-HRCADAONSA-N 467.039 6.224 50 10 JKGE Cc1sc([C@H](Cl)c2cc(Br)c(Br)s2)c(Br)c1C 2215946233 UGSJWNVSBLECBB-SECBINFHSA-N 479.484 7.042 50 10 JKGE Brc1cc([C@@H](Br)[C@@H]2C[C@H]3CCC[C@H](C3)C2)sc1Br 2218346451 OKAQSPDAOTZCGC-WTBMIXGQSA-N 457.069 6.926 50 10 JKGE CCOCc1cc(Br)c([C@H](Cl)c2cccc(I)c2)s1 2224797179 VAZGQLSMUBOVAI-CYBMUJFWSA-N 471.585 5.980 50 10 JKGE Cc1c(Br)sc([C@H](Br)[C@@H]2OC[C@@H]3CCCC[C@@H]32)c1Br 2224935084 AJSJUZZJKRIBBV-GAIPPQHRSA-N 473.068 6.223 50 10 JKGE Fc1cc(Br)c(Br)cc1[C@H](Cl)Cc1ccccc1Br 2225634656 QCOVRSCPMMJFHP-CYBMUJFWSA-N 471.389 6.636 50 10 JKGE Fc1cc(F)cc([C@@H](Br)c2c(Br)cc(Cl)c(Cl)c2Cl)c1 2232514838 XAGRTFKYEJQEOC-LLVKDONJSA-N 465.346 7.172 50 10 JKGE Brc1cccc(C[C@@H](Br)c2ccc3c(c2Br)CCO3)c1 2238075816 FIHMGINAMMPBHA-CQSZACIVSA-N 460.991 5.825 50 10 JKGE Clc1cc(CN2[C@H](CBr)C[C@H]3CCCC[C@H]32)ccc1I 2240675370 VZYRBRRMUWCAGG-DVOMOZLQSA-N 468.604 5.473 50 10 JKGE Cc1ccc([C@H](Br)c2cc(Cl)c(Cl)cc2C)cc1I 2264364235 FDEYITGEDCRZEQ-HNNXBMFYSA-N 469.975 6.699 50 10 JKGE COc1cccc([C@@H](Br)c2cc(Br)ccc2Br)c1Cl 2268254566 BSBKSOLXNFMNFR-CYBMUJFWSA-N 469.398 6.358 50 10 JKGE Fc1cc(Br)c(F)c(Br)c1[C@@H](Cl)c1scc(Cl)c1Cl 2272722806 VFTXDNYQOQLEHF-SECBINFHSA-N 471.375 7.186 50 10 JKGE Cc1c(Br)ccc([C@H](Br)[C@H]2CC(F)(F)C23CCC3)c1Br 2280859724 UZKGDNDCCZUDEU-MFKMUULPSA-N 472.993 6.782 50 10 JKGE CCCc1ccc([C@H](Br)c2cc(Br)c(Br)cc2F)cc1 2283390576 VGKBACXMIIOERC-INIZCTEOSA-N 464.998 6.788 50 10 JKGE COc1ccc([C@@H](Br)Cc2ccc(Br)cc2)c(Br)c1Cl 2283554709 QHFISJIAAYHUEP-LBPRGKRZSA-N 483.425 6.552 50 10 JKGE Cc1cc(Br)c(C)c([C@H](Br)[C@@H]2CCC[C@H]2C(F)F)c1Br 2285649688 HARHHLCMRLRDHW-GPCCPHFNSA-N 475.009 6.946 50 10 JKGE COc1ccccc1[C@@H](Br)c1c(F)cc(Br)c(F)c1Br 2288493519 UJCLSPOBSMQIFP-GFCCVEGCSA-N 470.933 5.983 50 10 JKGE CCCCCCOc1ccc(C=CC(=O)Oc2ccc(C=C(C#N)C(=O)OC)cc2OC)cc1OC 2293198103 MOPMXKPOYSLOES-UHFFFAOYSA-N 493.556 5.362 50 10 JKGE CCOc1ccc(-c2nn(-c3ccccc3)cc2C=C(C#N)c2nc3ccccc3s2)cc1Cl 2296545325 HPCRLNBJCYZBHZ-UHFFFAOYSA-N 482.996 7.265 50 10 JKGE COc1ccc(-c2csc(C(C#N)=Cc3ccc(OCC(=O)c4ccc(C)cc4)cc3)n2)cc1OC 2296801426 HPAWPRVUTWYFNT-UHFFFAOYSA-N 496.588 6.462 50 10 JKGE Cc1cc(C)c2nc(Cl)c(C=C(C#N)c3nc(O)c4cc(Br)ccc4n3)cc2c1 2297398849 BGSGUDPUVTXQRR-UHFFFAOYSA-N 465.738 5.981 50 10 JKGE CC1(C)C([C@H](Br)c2ccc(OCc3ccccc3)cc2Br)C1(C)C 2299529915 HDNUPNANBRQAJT-GOSISDBHSA-N 452.230 7.146 50 10 JKGE FC1CCC([C@H](Br)c2ccc(OCc3ccccc3)cc2Br)CC1 2299535819 SWZZKMHJKSNOOH-PMTKGXAQSA-N 456.193 6.992 50 10 JKGE Cc1scc([C@@H](Cl)c2ccc(OCc3ccccc3)cc2Br)c1Br 2303602949 ZAUCOBBZXQQUEA-IBGZPJMESA-N 486.656 7.489 50 10 JKGE COc1cc(C=C(C#N)C(=O)Nc2cccc(Cl)c2)ccc1OC(=O)c1ccc(Cl)cc1 2313630716 FKUJXSJWRQSNJP-UHFFFAOYSA-N 467.308 5.767 50 10 JKGE COc1cc(C=C(C#N)C(=O)Nc2cc(Cl)ccc2Cl)cc(Br)c1OC 2313630863 GRRQEYOBVWAGPR-UHFFFAOYSA-N 456.123 5.319 50 10 JKGE Cc1ccc([C@H](Br)c2cc(Br)ccc2OCc2ccccc2)cc1C 2314490218 MUATXRFZAYWHRX-QFIPXVFZSA-N 460.209 7.129 50 10 JKGE C[C@@H]1C[C@@H]2C[C@@H]2C[C@@H]1[C@@H](Br)c1cc(Br)ccc1OCc1ccccc1 2314496443 BJFTXDXEVYTCSG-GEJSIIQBSA-N 464.241 7.146 50 10 JKGE Clc1ccc(C[C@H](Br)c2ccc(Cl)cc2I)nc1 2317743705 KPOUYSLUHDUGNP-LBPRGKRZSA-N 456.936 5.672 50 10 JKGE Clc1ccc([C@H](Br)c2ccc(Cl)cc2I)c(Cl)c1 2317776071 SGJZACFVLSGLAX-ZDUSSCGKSA-N 476.366 6.736 50 10 JKGE CC[C@H](NC(=O)C(C#N)=CNCc1ccccc1Br)c1ccc2c(c1)CCCC2 2325092940 LVDHHSUYRIQWLA-QHCPKHFHSA-N 452.396 5.092 50 10 JKGE COc1cc(C=C2Oc3c(ccc(OCc4ccc(CCl)cc4)c3C)C2=O)cc(OC)c1OC 2325339500 OIAAGUNVXUQAED-UHFFFAOYSA-N 480.944 5.955 50 10 JKGE Cc1c(OCc2ccc(CCl)cc2)ccc2c1OC(=Cc1ccccc1Br)C2=O 2325339776 JAWSCEUXRSZHKD-UHFFFAOYSA-N 469.762 6.692 50 10 JKGE Brc1cccc(CN2CC[C@H]3CC[C@@H](Br)[C@@H]2C3)c1Br 2330962960 JPRMDNNSGGWZGJ-QKCSRTOESA-N 452.028 5.350 50 10 JKGE Cc1cc(-c2csc(C(C#N)=C(O)[C@@H](C(C)C)N3C(=O)c4ccccc4C3=O)n2)ccc1F 2331320367 FMVBWSHIEBIWCA-OAQYLSRUSA-N 461.518 5.371 50 10 JKGE N#CC(=C(O)CCCOc1ccc2ccccc2c1)c1nc(-c2ccc3c(c2)OCCO3)cs1 2331330776 HMTSQPGWXBBIAJ-UHFFFAOYSA-N 470.550 6.386 50 10 JKGE COc1ccc(-c2csc(C(C#N)=C(O)c3ccc(NS(C)(=O)=O)cc3)n2)c2ccccc12 2331406398 JCMFWPKJOVXFFZ-UHFFFAOYSA-N 477.567 5.293 50 10 JKGE COc1ccc(-c2csc(C(C#N)=C(O)COc3ccc(C)cc3C(C)(C)C)n2)c(OC)c1OC 2331412861 NWTLBLZVCPXUOV-UHFFFAOYSA-N 494.613 6.314 50 10 JKGE COc1cc(Br)cc(C=C(C#N)c2nc(-c3cc(C(C)(C)C)ccc3C)cs2)c1O 2331478292 GGYGKBSLAGCXSD-UHFFFAOYSA-N 483.431 6.957 50 10 JKGE COc1ccc([C@@H](Cl)c2cc(Br)ccc2OCc2ccccc2)cc1Br 2336082533 AUYWUIRORBCGQO-OAQYLSRUSA-N 496.626 7.127 50 10 JKGE CN(Cc1ccc(Cl)c(I)c1)C[C@H](Br)C1CCCC1 2337224237 WRNWIZXXVOHDKS-ZDUSSCGKSA-N 456.593 5.330 50 10 JKGE CO[C@]1(C(F)(F)F)C[C@H]([C@H](Br)c2sc(Cl)cc2I)C1 2338768089 MXWWVVMXDZUNNJ-BUMCKTDNSA-N 489.522 5.800 50 10 JKGE Cc1cc(Br)c(F)c(Br)c1[C@@H](Br)[C@@H]1COCC1(C)C 2339657891 CKZHKMHXWLFLSU-KWQFWETISA-N 458.991 5.768 50 10 JKGE CC1=C(C)C[C@@](CBr)(Cc2cc(Cl)ccc2I)CC1 2343449999 AYVMWHLCWCDJOH-MRXNPFEDSA-N 453.589 6.389 50 10 JKGE CC[C@@H](Br)[C@@H]1CCCCN1Cc1cc(I)ccc1Cl 2352413123 CZGMJUASBFNGFX-HIFRSBDPSA-N 456.593 5.473 50 10 JKGE C[C@H]1CN(Cc2cc(I)ccc2Cl)CC[C@@H]1CCBr 2352414491 UQSPLEMLDVGUBF-RYUDHWBXSA-N 456.593 5.188 50 10 JKGE Cc1cc(Cl)c([C@H](Cl)c2cc(Br)ccc2OCc2ccccc2)c(Cl)c1 2353077481 ZUVYGHSYLSESCD-OAQYLSRUSA-N 470.621 7.972 50 10 JKGE BrCc1c(OCc2sccc2I)ccc2ccccc12 2364106746 MJRAYVNWKONWHD-UHFFFAOYSA-N 459.146 5.980 50 10 JKGE COc1c(Br)cc(C)c([C@@H](Br)C2C(C)(C)C2(C)C)c1Br 2365229559 AZMAOOJEWXQRRT-GFCCVEGCSA-N 469.055 6.647 50 10 JKGE Cc1c(Br)ccc([C@@H](Cl)c2cc(F)c(Cl)cc2Cl)c1Br 2379735526 FXAQHWJZQBZOKY-CQSZACIVSA-N 461.383 7.294 50 10 JKGE Clc1ccc(I)cc1CC[C@@H](Br)CN1CCCCCC1 2380513894 WRCYUOLWBAIRQQ-CQSZACIVSA-N 470.620 5.517 50 10 JKGE COc1cccc(C[C@@H]2S/C(=C(\C#N)C(=O)Nc3ccccc3C)N(c3ccccc3C)C2=O)c1 2264386 IPMNLBLVAJQTIB-RMNOPMHCSA-N 483.593 5.377 50 10 JKGE O=C(NN=Cc1ccc(-c2ccc(Cl)c([N+](=O)[O-])c2)o1)c1cc2c(ccc3ccccc32)o1 8437555 JHRPRBYAIGLXHO-UHFFFAOYSA-N 459.845 6.172 50 10 JKGE CCc1cccc(C)c1N/C(SCc1ccccc1C)=C(/C#N)S(=O)(=O)c1ccccc1 20325575 NRZZWPZSIMTZLA-SHHOIMCASA-N 462.640 6.378 50 10 JKGE COc1ccc(/C=C(/C#N)C(=O)Nc2ccc(C)c(C)c2)cc1COc1ccc2c(c1)CCC2 20394666 OLFOVYXTJCFMST-OYKKKHCWSA-N 452.554 5.925 50 10 JKGE O=C(CSc1nc2ccccc2n1Cc1ccc(Cl)cc1)N/N=C\c1ccccc1Cl 33096976 NUAKHQYRBJXXDI-ZMFRSBBQSA-N 469.397 5.634 50 10 JKGE CCCOc1ccc(/C=C(\C#N)C(=O)Nc2sc(C)c(-c3ccccc3)c2C(=O)OCC)cc1 33346621 UZBFJBCCAQIUSS-LTGZKZEYSA-N 474.582 6.235 50 10 JKGE Cc1ccc(NC(=O)/C(C#N)=C2/S[C@H](Cc3cccc(C)c3)C(=O)N2c2ccc(Cl)cc2)cc1 33383670 RHMMGHYHAGRFQW-GUNDDFSMSA-N 488.012 6.022 50 10 JKGE N#C/C(=C\c1cc(Cl)c(OCc2ccc(F)cc2)c(Br)c1)C(=O)Nc1ccccc1 33733436 ZEWCDFVUDPKMFB-LICLKQGHSA-N 485.740 6.366 50 10 JKGE N#C/C(=C\c1cn(-c2ccccc2)nc1-c1cccc2ccccc12)C(=O)Nc1ccc2ccccc2c1 35519287 QVPKEKKCSNLKDY-LGUFXXKBSA-N 490.566 7.391 50 10 JKGE CCCOc1ccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)COc4cccc(Cl)c4)ccc32)cc1 38650735 KFQRFCJSSCHUST-AREMUKBSSA-N 490.943 5.331 50 10 JKGE N#C/C(=C\c1ccc(-c2cc(Cl)cc(Cl)c2)o1)c1nc(-c2ccc([N+](=O)[O-])cc2)cs1 39885080 URYRFEHNOQKUQQ-OQLLNIDSSA-N 468.321 7.349 50 10 JKGE CCCOc1ccc(/C=C(\C#N)C(=O)Oc2ccc(C(=O)Nc3ccc(OC)cc3)cc2)cc1 40882624 CNRRZUMWNKZIGJ-HEHNFIMWSA-N 456.498 5.249 50 10 JKGE COc1cc(/C=N/NC(=O)[C@@H](C)Oc2ccc(C(C)(C)C)cc2)ccc1OCc1ccccc1 40961447 NFWSKBFBLMZIJL-CJHIPLPSSA-N 460.574 5.489 50 10 JKGE N#C/C(=C/c1ccccc1OCc1ccc(Br)cc1)C(=O)Nc1ccccc1Cl 59399134 ZOMRJKOLKCJSTC-AQTBWJFISA-N 467.750 6.227 50 10 JKGE CCCCCCCCCCCCCCCCCCOC(=S)N[C@@H]1CS(=O)(=O)C[C@H]1Cl 59568243 HWKNHUMEPADBTI-FGZHOGPDSA-N 482.196 6.543 50 10 JKGE CCc1ccc(N2C(=O)[C@@H](Cc3ccccc3F)S/C2=C(/C#N)C(=O)Nc2ccc(C)cc2)cc1 101245916 OCXJHHHOQYSUQI-RAMZYJDASA-N 485.584 5.762 50 10 JKGE Clc1ccc([C@@H](Br)c2cc3c(cc2Br)OCCO3)cc1Cl 109865930 HRQARJVKXNRORS-OAHLLOKOSA-N 452.957 6.011 50 10 JKGE FC(F)Oc1ccc([C@@H](Br)c2cc(Br)c(Br)s2)cc1 128277294 WSTKLJXKKCOJNP-SNVBAGLBSA-N 476.962 6.359 50 10 JKGE Cc1cc(Br)c([C@H](Br)C[C@H]2C[C@@H]3CC[C@@H]2C3)cc1Br 128765726 IBVYNMLQTXXBNC-DSZLRUIBSA-N 451.040 6.782 50 10 JKGE Cc1cc(Br)c([C@@H](Br)c2c(F)cc(F)cc2F)cc1Br 128838547 ISLKDIXZSINHLV-CQSZACIVSA-N 472.924 6.422 50 10 JKGE CC1(C)Cc2cc(/C=C/C3=CC(=C(C#N)C#N)C=C(C(C)(C)C)O3)cc3c2N(CCC3(C)C)C1 150110392 QMBYKFRDVWZUBM-CMDGGOBGSA-N 453.630 6.958 50 10 JKGE COc1cc(/C=C(/C#N)C(=O)NCc2ccccc2)ccc1OC(=O)c1ccc(C(C)(C)C)cc1 206394099 GDIHSQIYDPWIAW-KQWNVCNZSA-N 468.553 5.435 50 10 JKGE CCOC(=O)c1c(NC(=O)/C(C#N)=C\c2ccc(C(C)(C)C)cc2)sc2c1CC[C@H](CC)C2 209408114 LJCHMHNQOIAVCB-FJSNCCPHSA-N 464.631 6.283 50 10 JKGE COc1ccccc1N1CCN(/C=C(/C#N)C(=O)Nc2ccccc2Sc2ccccc2)CC1 217243833 QZPFFRMVZWPZJD-MRCUWXFGSA-N 470.598 5.015 50 10 JKGE COc1cc(Br)c([C@H](Br)c2cccc(Br)c2Cl)cc1OC 228452433 YZADAMYVRNWXCF-CQSZACIVSA-N 499.424 6.367 50 10 JKGE O=[N+]([O-])c1cc(Br)cc(Oc2ccc(CBr)cc2Br)c1 232486862 PVPPXBMATXZYDR-UHFFFAOYSA-N 465.923 5.807 50 10 JKGE CC(C)c1ccc(N(CC(=O)NN=Cc2cccc3ccccc23)S(=O)(=O)c2ccccc2)cc1 252639054 YIDJGBITJRDTNA-UHFFFAOYSA-N 485.609 5.309 50 10 JKGE Cc1[nH]c2ccccc2c1C=NNC(=O)c1cc(-c2ccc(OCCc3ccccc3)cc2)n[nH]1 254381306 PCAYJHBDYVWVCQ-UHFFFAOYSA-N 463.541 5.252 50 10 JKGE CSc1sc(C(=O)NN=Cc2ccc(Cl)cc2)c2c1C1(CCC2)SCCS1 254386908 JQSSLUOKYMXXFC-UHFFFAOYSA-N 455.095 5.856 50 10 JKGE O=C(COc1ccc(-c2ccccc2)cc1)NN=Cc1cc(N=Nc2ccccc2)ccc1O 254411493 DTMLGCDWMISVCT-UHFFFAOYSA-N 450.498 6.004 50 10 JKGE Cc1cc(C=NNC(=O)c2cc3ccccc3cc2O)c(C)n1-c1ccc(Cl)c(C(F)(F)F)c1 254498971 IPHNMFUGEFXZSA-UHFFFAOYSA-N 485.893 6.389 50 10 JKGE COc1cc(C=NNC(=O)CSc2cc(C)nc3c(C)cccc23)ccc1OCc1ccc(C)cc1 254764775 OLUCJEQBDHHAOO-UHFFFAOYSA-N 499.636 5.990 50 10 JKGE Fc1cc2c(cc1I)nc(CCl)n2-c1cccc(OCc2ccccc2)c1 383769960 NTOLNLQXALCHPS-UHFFFAOYSA-N 492.719 6.087 50 10 JKGE C[C@@H](Br)C[C@@H]1CCCCCN1c1ncc(Br)cc1Br 387974525 CZCOWINYMDHCJJ-PWSUYJOCSA-N 455.032 5.529 50 10 JKGE FC1(F)CC[C@H](COc2c(Br)cc(Br)cc2CBr)C1 394053174 RTZXJIJWKPDXFE-QMMMGPOBSA-N 462.954 5.921 50 10 JKGE Brc1ccc(Br)c([C@H](Br)c2ccsc2Br)c1 698679599 BGZGESNNYVIFFZ-SNVBAGLBSA-N 489.852 6.520 50 10 JKGE CCC(F)(F)C(C)(C)[C@H](Br)c1cc(Br)c(Br)s1 701163622 MBKQFKGOUKBVPM-MRVPVSSYSA-N 455.000 6.781 50 10 JKGE Clc1ccc(C[C@H](Br)c2scc(Br)c2Br)cc1 707793277 XREDOTOQEPUZCD-VIFPVBQESA-N 459.428 6.605 50 10 JKGE Brc1cccc([C@@H](Br)c2cc(Br)cc3c2OCCC3)c1 711146530 ANJKIPATUVUVSR-OAHLLOKOSA-N 460.991 6.021 50 10 JKGE CC1(C)CCC[C@@H](COc2c(Br)cc(CBr)cc2Br)O1 714360052 MRFAOQYUGFKXNP-NSHDSACASA-N 471.027 5.833 50 10 JKGE C[C@@H]1Cc2cc(Br)cc([C@H](Br)c3ccc(Br)s3)c2O1 720031283 HBLPMCRGQLPSOG-UHLUBPPHSA-N 467.020 6.081 50 10 JKGE Cc1cc(C=NNC(=O)CSCc2ccccc2Br)c(C)n1-c1ccc(F)cc1 1084109259 KLXAXNGQXDQILQ-UHFFFAOYSA-N 474.399 5.379 50 10 JKGE O=C(C=C(Sc1ccccc1)Sc1ccccc1)NN=Cc1c(O)ccc2ccccc12 1084312163 INCSBDVIFVXICK-UHFFFAOYSA-N 456.592 6.422 50 10 JKGE Cc1cc(C=NNC(=O)C(=O)Nc2ccc(Oc3ccccc3)cc2)c(C)n1-c1cccc(Cl)c1 1084326305 UNVRVPKAGCESKV-UHFFFAOYSA-N 486.959 5.629 50 10 JKGE CCOc1cc(/C=C(\C#N)C(=O)Nc2cccc(C)c2)cc(Br)c1OCc1ccccc1 1084440956 YYGUYGMMJODRBJ-FYJGNVAPSA-N 491.385 6.281 50 10 JKGE CCOc1ccc2nc(Sc3ccc(C=NNC(=O)Cc4cccc5ccccc45)o3)sc2c1 1084467343 ZPUSKNNRZQZYGU-UHFFFAOYSA-N 487.606 6.285 50 10 JKGE C#CCOc1ccc(/C=C(\C#N)C(=O)Nc2cccc(Cl)c2Cl)cc1I 1084469378 OTDOVGFHKOTEPK-UKTHLTGXSA-N 497.119 5.156 50 10 JKGE Cc1cccc(C)c1-n1c(C)c(Br)c(C=NNC(=O)CSc2ccccc2)c1C 1084472828 NPMDEELYOGJDPC-UHFFFAOYSA-N 470.436 5.716 50 10 JKGE O=C(NN=Cc1cn(Cc2ccc(Cl)cc2Cl)c2ccccc12)[C@@H]1C[C@H]1c1ccccc1 1565518725 NAXVUQMMOCWNTM-XZOQPEGZSA-N 462.380 6.250 50 10 JKGE Cc1cccc(C(=O)NN=C2CCCc3oc(C(=O)Nc4cc(Cl)ccc4Cl)c(C)c32)c1 1772744465 DTONFWNYBVUGNL-UHFFFAOYSA-N 470.356 5.926 50 10 JKGE Cc1ccc(OC(=O)c2oc3c(c2C)C(=NNC(=O)C(F)(F)C(F)(F)C(F)(F)F)CCC3)cc1 1772748238 AULXRQAOEWITQM-UHFFFAOYSA-N 494.363 5.105 50 10 JKGE COc1cc(C=NNC(=O)COc2ccc(C)c(C)c2)ccc1OCc1ccccc1Cl 1772752843 LEJAGBRPRYKGHX-UHFFFAOYSA-N 452.938 5.074 50 10 JKGE N#CSc1ccc(NC(=O)Oc2ccc(CNC(=O)/C=C/c3ccc(Cl)cc3Cl)cc2)cc1 1858905047 NNQOCJPXSXURMC-UUILKARUSA-N 498.391 6.507 50 10 JKGE Cc1ccc(-n2nc(-c3ccccc3)c3c2OC(N)=C(C#N)[C@@H]3c2cc(Cl)ccc2O)cc1 1865689783 WNDAFPGIQGGEJV-QFIPXVFZSA-N 454.917 5.425 50 10 JKGE CCCCOc1ccc([C@H]2C(C#N)=C(N)Oc3c2c(-c2ccccc2)nn3-c2ccccc2Cl)cc1 1865690519 TXTQDNXITUNQRR-VWLOTQADSA-N 496.998 6.590 50 10 JKGE CCCc1nn(-c2ccccc2)c2c1[C@H](c1ccc(OCc3ccc(C)cc3)cc1)C(C#N)=C(N)O2 1865692792 IGDLNJRTFXBCLJ-HHHXNRCGSA-N 476.580 5.930 50 10 JKGE COc1ccc(-c2nn(Cc3c(F)cccc3Cl)c3c2[C@@H](c2ccccn2)C(C#N)=C(N)O3)cc1 1865699724 AYOAGDWCJOBMTR-JOCHJYFZSA-N 487.922 5.013 50 10 JKGE COc1ccc(-c2nn(-c3ccc(C)cc3)c3c2[C@H](c2ccccc2OC(C)C)C(C#N)=C(N)O3)cc1 1865705022 KFWSLTQWGOONRT-AREMUKBSSA-N 492.579 5.862 50 10 JKGE N#CC1=C(N)Oc2c(c(-c3ccccc3)nn2-c2ccccc2Cl)[C@@H]1c1ccccc1[N+](=O)[O-] 1865710011 MJAJGZAIELZNRU-OAQYLSRUSA-N 469.888 5.319 50 10 JKGE CSCC[C@H](NC(=O)[C@H](c1ccc(C)cc1)C(C)C)C(=O)Nc1ccc(SC#N)cc1 1866954603 CKCIKDVBNYRKMZ-VXKWHMMOSA-N 455.649 5.184 50 10 JKGE COc1ccc2c(c1)C[C@@H](C)CN2c1cc(Nc2ccc(SC#N)cc2)nc(-c2cccnc2)n1 1868566169 VSPRZQZMBCSYOX-GOSISDBHSA-N 480.597 6.194 50 10 JKGE N#C/C(=C(/O)CN1C(=O)COc2ccc(Cl)cc21)c1nc(-c2ccc(Cl)cc2Cl)cs1 1872745218 YDKYJQCBFGMLMK-JXAWBTAJSA-N 492.771 5.989 50 10 JKGE Cc1nc2ccc(/C(O)=C(\C#N)c3nc(-c4ccc(Br)cc4)cs3)cc2nc1C 1872746672 SBNKDAVTHVPCHL-FXBPSFAMSA-N 463.360 6.083 50 10 JKGE N#C/C(=C(/O)c1ccccc1I)c1nc(-c2ccc(F)c(F)c2)cs1 1872751334 CDWFYYMBERFNAU-ATVHPVEESA-N 466.250 5.643 50 10 JKGE CCCCc1ccc(N2C[C@H](/C(O)=C(\C#N)c3nc(-c4c(C)c(C)cc(C)c4C)cs3)CC2=O)cc1 1872754378 PZKXWKPULHBPKB-WQQDDYOMSA-N 499.680 7.232 50 10 JKGE Cc1ccc(-c2csc(/C(C#N)=C(\O)CCCOc3cc(C)c(Cl)c(C)c3)n2)cc1C 1872756446 KDKXUPNORLNIRZ-LNVKXUELSA-N 453.007 7.349 50 10 JKGE CC(C)C[C@H](/C(O)=C(\C#N)c1nc(-c2ccc(Cl)s2)cs1)N1C(=O)c2ccccc2C1=O 1872758038 IRZONBMQTPRDSJ-MNTXUITRSA-N 484.002 6.029 50 10 JKGE COc1cc(/C=C(\C#N)c2nc(-c3ccc4c(c3)OCO4)cs2)ccc1OCCc1ccccc1 1872792138 GTGJOWWBWKYRHM-LPYMAVHISA-N 482.561 6.233 50 10 JKGE N#C/C(=C\c1cc(Br)ccc1O)c1nc(-c2ccc(Oc3ccccc3)cc2)cs1 1872793231 OSUHADYVWOZLKC-LDADJPATSA-N 475.367 7.135 50 10 JKGE Brc1ccsc1[C@@H](Br)c1cc(I)sn1 1884461212 WDWCYSRWXOMPOQ-ZETCQYMHSA-N 464.973 5.056 50 10 JKGE CC1(C)C[C@@]1(Cl)[C@@H](Br)c1cc(Br)ccc1OCc1ccccc1 1899856412 HZQBCYYOPVHMNX-PKOBYXMFSA-N 458.621 6.872 50 10 JKGE FC(F)(F)c1cnc(N(CCCCl)Cc2ccccc2)c(I)c1 1914628030 NXHPSUYIUYYPCV-UHFFFAOYSA-N 454.661 5.341 50 10 JKGE O=C(c1ccc2cc(Br)ccc2c1)N(Cc1ccccc1)[C@@H](CBr)C1CC1 1915315648 XSAPWYCZITWLDQ-QFIPXVFZSA-N 487.235 6.418 50 10 JKGE CC(C)[C@H](CBr)N(Cc1ccccc1)c1ccc(I)cn1 1915329584 RWELFQDZIQBKIU-INIZCTEOSA-N 459.169 5.112 50 10 JKGE Cc1c(Br)sc([C@H](Br)[C@H]2C(F)(F)C23CC3)c1Br 1922932151 JECQVCZVBFVWEU-POYBYMJQSA-N 450.968 6.063 50 10 JKGE Cc1c(Br)sc([C@H](Br)C(C)(C)C2CCCC2)c1Br 1922933283 UVUQTBNIXPVIDL-LBPRGKRZSA-N 459.085 7.234 50 10 JKGE F[C@@H]1CCC[C@H]([C@H](Br)c2c(Br)sc(Br)c2Cl)C1 1923072370 ONKZLNMYYZUTNG-BBVRLYRLSA-N 469.439 6.891 50 10 JKGE CCC(CC)C[C@H](Cl)c1c(Br)sc(Br)c1Br 1926353975 HZEVNRMPWFWXEZ-ZETCQYMHSA-N 453.465 7.142 50 10 JKGE Cc1cc(C(=O)N(Cc2ccccc2)[C@H](C)CCBr)ccc1I 1995255934 IGFJXGVAJQHRBP-OAHLLOKOSA-N 486.191 5.416 50 10 JKGE COc1ccc([C@H](Br)c2ccc(Br)cc2I)s1 2026220742 HGJOJKJAMBATKN-GFCCVEGCSA-N 487.982 5.608 50 10 JKGE COc1cc(Cl)c([C@H](Br)c2cscc2OCc2ccccc2)cc1Cl 2038687030 WQYYDVASSDFWLN-IBGZPJMESA-N 458.204 7.127 50 10 JKGE C[C@@H]1CN(CC2(CBr)CCCCCC2)C[C@@H](C)N1C(=O)OCc1ccccc1 2044700608 RGLZTPNETIQNTL-WOJBJXKFSA-N 451.449 5.453 50 10 JKGE Brc1cc(Br)c([C@H](Br)c2cc3ncccc3s2)s1 2046387706 CNMSTQQSTQLLEX-LLVKDONJSA-N 468.033 6.367 50 10 JKGE COC(=O)C1=CO[C@H](O[Si](C)(C)C(C)(C)C)[C@@H]2C(CO[Si](C)(C)C(C)(C)C)=CC[C@@H]12 2053693229 HAGFWYAXZUANKA-FBBABVLZSA-N 454.756 6.006 50 10 JKGE BrCc1cc(Br)ccc1N1CC[C@H]2CCN(Cc3ccccc3)C[C@@H]2C1 2092523654 JPHYRXZWLLPCBF-UYAOXDASSA-N 478.272 5.692 50 10 JKGE CCn1ncc(Br)c1[C@H](Br)c1sc(COC)cc1Br 2094275338 UFEXYPCMBSOACL-JTQLQIEISA-N 473.028 5.120 50 10 JKGE COc1ccc([C@H](Br)c2cscc2OCc2ccccc2)c(OC)c1Cl 2100094746 ZDUALKXRYNUKBX-SFHVURJKSA-N 453.785 6.482 50 10 JKGE C[C@@]1(C(F)(F)F)C[C@]1(CBr)Cc1cccc(Br)c1Br 2105508664 AUCAFYJKGXJRPA-NEPJUHHUSA-N 464.945 6.108 50 10 JKGE Clc1c(Br)sc(Br)c1[C@@H](Br)[C@@H]1CCn2ncnc2C1 2108969867 REQKTTLEQDIKRZ-XRGYYRRGSA-N 490.446 5.217 50 10 JKGE CCc1sc(Br)cc1[C@@H](Br)c1cc(Cl)c(C)c(Br)c1 2111086239 GOPBUPGYJBGJPK-AWEZNQCLSA-N 487.482 7.282 50 10 JKGE COc1ccc(Br)cc1[C@H](Br)c1c(Cl)cccc1Br 2113158770 JUZHINVHCCYYHA-AWEZNQCLSA-N 469.398 6.358 50 10 JKGE CCCn1ncc(Br)c1C[C@@H](Br)c1ccc(Br)cc1 2113490922 JBCDZHNMBRCKBT-GFCCVEGCSA-N 451.000 5.497 50 10 JKGE CO[C@H]1C[C@H]([C@H](Br)c2sc(Br)c(C)c2Br)C[C@H]1OC 2118284842 DUHHESGYYMESIN-CKEKPRIKSA-N 477.056 5.458 50 10 JKGE Cc1cc(Cl)c([C@@H](Br)c2cccc(F)c2I)cc1Cl 2136700394 YZJJMECNPHKYGV-ZDUSSCGKSA-N 473.938 6.530 50 10 JKGE COc1cc(Br)c(C)cc1[C@@H](Cl)c1cc(Cl)ccc1I 2145954261 CKPFKYXGKJLMEF-HNNXBMFYSA-N 485.974 6.352 50 10 JKGE Cc1ccc([C@H](Br)c2cc(Br)c3c(c2)CCO3)cc1Br 2146626805 HGHCGCRQUPJJLS-HNNXBMFYSA-N 460.991 5.939 50 10 JKGE ClCc1ccc(Br)c(Cl)c1N1CCC[C@H]1[C@H]1CCN(Cc2ccccc2)C1 2154375678 KSCAWVUCPRMHFY-ICSRJNTNSA-N 468.266 6.332 50 10 JKGE Clc1ccc(CC(CBr)(CBr)c2ccccc2)cc1Br 2166830622 HTVLJORJTZQTLK-UHFFFAOYSA-N 481.453 6.373 50 10 JKGE COc1cc(F)c([C@@H](Br)c2nn(C)c(Cl)c2Br)cc1Br 2202903035 YSVJPVFMTTZQEP-SECBINFHSA-N 491.380 5.231 50 10 JKGE Cc1cc([C@H](Br)c2c(Br)cc(C)c(Cl)c2C)sc1Br 2224317380 NCSJTFJCTLYUFD-LBPRGKRZSA-N 487.482 7.336 50 10 JKGE Fc1ccc([C@H](Br)c2ccc(I)c(Cl)c2)c(F)c1F 2225926963 CPFSORNMRPBXHB-LLVKDONJSA-N 461.446 5.846 50 10 JKGE Cc1c(Br)csc1[C@H](Br)c1csc2c(Br)cccc12 2226121684 LAKREEAJEQOFBM-GFCCVEGCSA-N 481.072 7.281 50 10 JKGE Cc1cccc([C@H](Br)Cc2ccc(Br)cc2Cl)c1Br 2229148614 DUVNWBPHEKNBAN-CYBMUJFWSA-N 467.426 6.852 50 10 JKGE Cl[C@@H](c1csc(Br)c1Br)c1ccc2c(c1Br)CCO2 2229744587 NQRUNBNAOWHNFX-GFCCVEGCSA-N 487.438 6.299 50 10 JKGE Cc1cc(Br)c(CBr)c(N2CCN(Cc3ccccc3)CCC2(C)C)c1 2231338222 HJEZTLVVBGHIPI-UHFFFAOYSA-N 480.288 6.143 50 10 JKGE O=S1(=O)CCC([C@H](Br)c2c(Br)cc(Cl)c(Cl)c2Cl)CC1 2232520892 QXBHXZUPPLMVOO-JTQLQIEISA-N 485.452 5.670 50 10 JKGE COc1cc(Br)c([C@H](Br)c2ccc(Br)c(C)c2)cc1C 2236007452 JHHRMTKLUXVXQD-MRXNPFEDSA-N 463.007 6.321 50 10 JKGE Cc1nn(C)c(Br)c1[C@H](Br)c1c(F)cc(F)c(Br)c1F 2236115811 XFMFEEDJGIYBAI-JTQLQIEISA-N 476.916 5.155 50 10 JKGE COc1cc(Br)ccc1[C@H](Br)Cc1ccc(Br)cc1Cl 2237454785 USBAIJGAUOKXOV-CYBMUJFWSA-N 483.425 6.552 50 10 JKGE CCN(C[C@](C)(CI)OCC1CCC(C)CC1)C(=O)OC(C)(C)C 2250267414 HCOVOIFZTTXRLA-RJYAGPCLSA-N 453.405 5.280 50 10 JKGE Cl[C@@H](Cc1cc(Br)cc(Br)c1)c1sccc1Br 2252777944 HGBZLUIAUNLECY-NSHDSACASA-N 459.428 6.558 50 10 JKGE CCc1ccsc1[C@@H](Br)Cc1cc(Br)cc(Br)c1 2263514501 CIMSTVULCASAJQ-ZDUSSCGKSA-N 453.037 6.514 50 10 JKGE Fc1cccc(Br)c1CC[C@@H](Br)c1ccccc1Br 2274022470 AVZMPCLYJOYTQL-CQSZACIVSA-N 450.971 6.420 50 10 JKGE Clc1cc([C@@H](Cl)Cc2cc(Br)cc(Br)c2)ccc1Br 2277957770 WUCVVULYNPVCPX-ZDUSSCGKSA-N 487.844 7.150 50 10 JKGE COc1ccc([C@H](Cl)c2sc(C)c(C)c2Br)c(Br)c1Cl 2283545867 VCUWHXWNWZKRHL-LBPRGKRZSA-N 459.030 6.880 50 10 JKGE O=C(N[C@H]1CCCC[C@@H]1CCBr)c1ccc(Cl)c(I)c1 2283653058 BWSXWYFDVBWZFN-YGRLFVJLSA-N 470.576 5.018 50 10 JKGE O=C(c1scc(Br)c1Br)N1CCC2(CC[C@H](Br)C2)CC1 2288058214 CXIUVYJTQICPQA-VIFPVBQESA-N 486.067 5.443 50 10 JKGE CC1(C)CCC(C)(C)[C@H](Cc2ccc(I)c(Cl)c2)[C@@H]1Br 2290318838 VOAUBSYIWYXJLM-DOMZBBRYSA-N 469.632 6.713 50 10 JKGE COc1ccc(-n2c(C)cc(C=C(C#N)C(=O)Nc3ccc(Br)cc3)c2C)cc1 2294187403 KHXVTHHISSYDFV-UHFFFAOYSA-N 450.336 5.411 50 10 JKGE COC(=O)c1cc(C(C)C)sc1NC(=O)C(C#N)=Cc1ccc(COc2ccccc2C)o1 2295669987 URUOUXYZVFLJLK-UHFFFAOYSA-N 464.543 5.684 50 10 JKGE N#CC(C(=O)NCCc1ccccc1)=C1S[C@@H](Cc2ccccc2Cl)C(=O)N1c1ccccc1 2296507108 TXBRBMYFUFTBRY-DEOSSOPVSA-N 488.012 5.125 50 10 JKGE Cc1ccc(Cc2cnc(NC(=O)C(C#N)=Cc3ccc(-c4ccccc4[N+](=O)[O-])o3)s2)cc1 2296832294 LTCNLKXWBQKMDN-UHFFFAOYSA-N 470.510 5.756 50 10 JKGE CCCN(CCCBr)Cc1ccc(I)c(Br)c1 2306221668 KSYJVORBNMZEHB-UHFFFAOYSA-N 475.006 5.051 50 10 JKGE CCOc1cc(C=C(C#N)C(=O)Nc2cccc(Cl)c2Cl)ccc1OC(=O)c1ccc(C)cc1 2313630915 HVMKGLHUEZMGAR-UHFFFAOYSA-N 495.362 6.465 50 10 JKGE CC(C)[C@@H]1CCC[C@H]1[C@@H](Br)c1ccc(OCc2ccccc2)cc1Br 2314444843 NCGSKNRCRVRNGL-NNMXDRDESA-N 466.257 7.536 50 10 JKGE Fc1cccc(Cl)c1[C@@H](Br)c1cc(Br)ccc1OCc1ccccc1 2314448528 IREDBBRBUONOMD-FQEVSTJZSA-N 484.590 7.305 50 10 JKGE CCOc1cc(C=C2C(=O)N(CC(C)C)C(=O)C(C#N)=C2C)ccc1OCc1ccc(F)cc1 2314610384 HHYOLYHOKXOEPB-UHFFFAOYSA-N 462.521 5.052 50 10 JKGE CC1=C(C#N)C(=O)N(CC(C)C)C(=O)C1=Cc1cn(-c2ccccc2)nc1-c1cc2ccccc2o1 2314611653 YPIFCXBDDDQZNT-UHFFFAOYSA-N 476.536 5.534 50 10 JKGE CCOC(=O)c1c(-c2ccc(C)cc2C)csc1NC(=O)C(C#N)=Cc1ccccc1OC 2314777591 LWMVEGAVERQCRD-UHFFFAOYSA-N 460.555 5.763 50 10 JKGE CC(F)(F)CC[C@H](Br)c1c(Cl)cc(Br)c(F)c1Br 2315439574 GUAFVGQYPROTNV-YFKPBYRVSA-N 473.352 6.876 50 10 JKGE Cc1cc(Cl)c(Cl)cc1[C@@H](Cl)c1sc(Cl)cc1I 2316659547 UMLAOZZZOMGGJX-LLVKDONJSA-N 451.971 6.950 50 10 JKGE Cn1nc(Br)c(Br)c1[C@@H](Cl)Cc1cccc(Br)c1 2316834399 OOCGSCOOFBJHEJ-VIFPVBQESA-N 457.391 5.230 50 10 JKGE COC(=O)c1ccc(C(C#N)=Cc2ccc(OCc3c(Cl)ccc(Cl)c3Cl)c(OC)c2)o1 2331048417 BFLIKWAYTVUONW-UHFFFAOYSA-N 492.742 6.678 50 10 JKGE Cc1ccc(-c2csc(C(C#N)=C(O)CCCOc3ccc(Cl)cc3Br)n2)cc1 2331312755 VQKMAOXBJFAECF-UHFFFAOYSA-N 489.822 7.186 50 10 JKGE CCc1cccc(C)c1N1C[C@H](C(O)=C(C#N)c2nc(-c3ccc(F)c(F)c3)cs2)CC1=O 2331351860 HNFFKLKUMJHIOY-QGZVFWFLSA-N 465.525 5.805 50 10 JKGE N#CC(=Cc1ccc(OC(=O)c2ccccc2)cc1)c1nc(-c2ccc([N+](=O)[O-])cc2)cs1 2331434152 CMEKVYSCQCIASC-UHFFFAOYSA-N 453.479 6.002 50 10 JKGE CCOc1cc(C=C(C#N)c2nc(-c3ccccc3OC)cs2)ccc1OCC(=O)N(CC)CC 2331436283 OAENLTKCIMFTAS-UHFFFAOYSA-N 491.613 5.529 50 10 JKGE CCOc1ccc(-c2csc(C(C#N)=Cc3c(OCc4ccccc4)ccc4ccccc34)n2)cc1 2331441011 MCPBCADRJMTDLX-UHFFFAOYSA-N 488.612 8.005 50 10 JKGE COc1ccc(-c2csc(C(C#N)=Cc3c(OC)ccc4ccccc34)n2)c(OC)c1OC 2331491574 SFRXGKUHZPEVBY-UHFFFAOYSA-N 458.539 6.062 50 10 JKGE COc1ccc(C[C@H](Br)c2ccc(OCc3ccccc3)cc2Br)cc1 2336084445 UHEBLKBOZUQLIK-NRFANRHFSA-N 476.208 6.715 50 10 JKGE Cc1cc(Br)c(F)c(Br)c1[C@H](Cl)c1c(C)nsc1Br 2339655138 CUWVHIYANCYUJP-JTQLQIEISA-N 492.433 6.515 50 10 JKGE CN(Cc1ccc(Cl)cc1I)C1CCC(CBr)CC1 2341010570 PENQDUNVYFBHAA-UHFFFAOYSA-N 456.593 5.330 50 10 JKGE CC1=C(C)C[C@](CBr)(Cc2ccc(Cl)c(I)c2)CC1 2343447763 CMKPIKUBKCGVTJ-INIZCTEOSA-N 453.589 6.389 50 10 JKGE Fc1cc(Br)c(F)c(Br)c1[C@H](Br)[C@H]1C[C@@H]2O[C@H]1[C@H]1C[C@@H]21 2359746796 KEOMVYGQYHFJBS-LTJHVZACSA-N 472.949 5.349 50 10 JKGE Cc1cccc([C@H](Cl)c2c(Cl)cc(Br)c(F)c2Br)c1Cl 2362236410 CEMKUDTUAPPWLP-ZDUSSCGKSA-N 461.383 7.294 50 10 JKGE Cc1cc(Br)c([C@@H](Br)[C@H]2COC3(C)CC2C3)c(C)c1Br 2362900310 KERJEXXNVYHGFY-DZGFNVRVSA-N 467.039 6.080 50 10 JKGE CC(C)COc1nc(-c2ccccc2F)n(-c2ccc(NC(=O)[C@H](Cl)c3ccccc3)cc2)n1 33710875 VGGQLJSVHAHWRM-HSZRJFAPSA-N 478.955 6.027 50 10 JKGE C=CCNC(=O)/C(C#N)=C/c1cn(-c2ccccc2)nc1-c1cccc(OCc2ccc(F)cc2)c1 35446064 CCDQHUAROVJBDF-XQNSMLJCSA-N 478.527 5.467 50 10 JKGE N#CC1=C(N)Oc2cc(OC(=O)c3ccc(Br)cc3)ccc2[C@H]1c1ccc(Cl)cc1 38651297 JMKWRDGOYPCCGW-OAQYLSRUSA-N 481.733 5.540 50 10 JKGE N#CC1=C(N)Oc2cc(OC(=O)C(c3ccccc3)c3ccccc3)ccc2[C@@H]1c1ccc(F)cc1 38653247 ULSSLRCAQFZLJK-NDEPHWFRSA-N 476.507 5.781 50 10 JKGE CCOc1ccc(C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@@H]3c2c(Cl)cccc2Cl)cc1 38679638 ZPQPBMUGXRENQU-JOCHJYFZSA-N 481.335 5.829 50 10 JKGE Cc1c(C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@H]3c2c(F)cccc2Cl)oc2ccc(F)cc12 38700603 ZIZWKBVGCHFDCN-QFIPXVFZSA-N 492.865 6.110 50 10 JKGE CCOC(=O)c1ccc(NC(=O)/C(C#N)=C/c2ccc(-c3cc(Cl)cc(Cl)c3)o2)cc1 39884901 FCAVCLSEAYDQFQ-LFIBNONCSA-N 455.297 5.976 50 10 JKGE Cc1ccc(Oc2nc3c(C)cccn3c(=O)c2/C=C(\C#N)C(=O)Nc2cc(C)ccc2C)c(C)c1 39993143 ISDMEDPGYZXZNP-PXLXIMEGSA-N 478.552 5.575 50 10 JKGE Cc1c(C(=O)Oc2cccc3ccccc23)oc2c1/C(=N/NC(=O)c1cccc(Cl)c1)CCC2 40813364 LRVQTPHCPXAXGX-XHLNEMQHSA-N 472.928 6.084 50 10 JKGE Cc1ccc(C(C)C)c(OCC(=O)N/N=C2\C(=O)N(Cc3ccc(Cl)cc3)c3ccccc32)c1 40840336 FCXACXNMQVOGKK-BXVZCJGGSA-N 475.976 5.218 50 10 JKGE Cc1ccc(-c2ccccc2)n1-c1ccc(C(=O)N/N=C/c2cc(Cl)cc([N+](=O)[O-])c2O)cc1 59303813 LQTHJJVGOCLJSR-JFLMPSFJSA-N 474.904 5.484 50 10 JKGE C#CCOc1c(CC=C)cc(/C=N/NC(=O)c2cc3cc(Br)ccc3o2)cc1OCC 59304398 LMTPFBGNAWJZKI-CVKSISIWSA-N 481.346 5.098 50 10 JKGE COc1ccc(C(=O)N/N=C\c2ccc(Oc3ccc(C(F)(F)F)cc3[N+](=O)[O-])c(OC)c2)cc1 59462975 KWDNGQPEZREIKZ-WKIKZPBSSA-N 489.406 5.187 50 10 JKGE O=C(CCCNc1ccc(Br)cc1)N/N=C/c1cccc(Oc2ccccc2)c1 59507524 TYCRFAUKMWYYQA-YZSQISJMSA-N 452.352 5.584 50 10 JKGE Fc1ccc(Br)cc1[C@H](Cl)c1cc(Br)ccc1Br 109803600 QKXFMPGGBHUDAF-CYBMUJFWSA-N 457.362 6.441 50 10 JKGE Fc1ccc(C(CBr)(CBr)Cc2ccc(Br)s2)cc1 118671182 KGNDKRVAFCAXHQ-UHFFFAOYSA-N 471.027 5.920 50 10 JKGE BrCC(CBr)(CCc1ccsc1)c1cccc(Br)c1 118671890 VPEOJAWPJRUMQW-UHFFFAOYSA-N 467.064 6.171 50 10 JKGE Fc1ccc(Cl)cc1[C@@H](Br)c1cc(Br)c(Br)s1 128221767 NMPJOIZZDYBZHQ-SNVBAGLBSA-N 463.391 6.550 50 10 JKGE CSc1ccc([C@@H](Br)c2cc(Br)c(Br)s2)cc1 128224972 GMESGCBJDSFRHN-LLVKDONJSA-N 457.050 6.479 50 10 JKGE Cc1cc(F)c([C@H](Br)c2ccc(I)c(Cl)c2)cc1F 232344614 ZDDGHISUSXPVIJ-CQSZACIVSA-N 457.483 6.016 50 10 JKGE COc1cc(Br)c(Oc2ccc(CCl)cc2Br)cc1Br 234918017 UUSKRSQPOWUMFA-UHFFFAOYSA-N 485.397 6.514 50 10 JKGE Cc1cc([C@@H](Br)c2ccc(F)cc2I)c(Cl)cc1F 235866255 GSKIIHLHNOYWQQ-AWEZNQCLSA-N 457.483 6.016 50 10 JKGE CCOc1ccc(C(=O)Oc2ccc3ccccc3c2C=NNC(=O)c2cccc(OC)c2)cc1 254410874 ZRDYTRJALRBXMG-UHFFFAOYSA-N 468.509 5.230 50 10 JKGE CCOC(=O)/C(C#N)=C/C=C(/C=C/N(C)CC(=O)c1ccc(-c2ccccc2)cc1)c1ccccc1 254823803 ZCSYLYHOHHREAE-HTVJGVFOSA-N 476.576 6.078 50 10 JKGE O=C(CSc1nnc(-c2ccccc2)s1)NN=Cc1ccccc1OCc1ccccc1Cl 256028247 ATRAFPMCQJHNST-UHFFFAOYSA-N 495.029 5.680 50 10 JKGE O=C(OCc1ccccc1)N1C[C@@H](CI)[C@H](c2cccc(Cl)c2)C1 382693041 VAJZPBRCCAKHDX-AEFFLSMTSA-N 455.723 5.127 50 10 JKGE COc1ccc([C@@H](Br)c2cc(I)ccc2Br)s1 384018848 QUXILSJABFUHQT-LBPRGKRZSA-N 487.982 5.608 50 10 JKGE C[C@H](Cl)c1nc2cc(F)c(Br)cc2n1[C@H]1CN(Cc2ccccc2)C[C@H]1C 389872090 QIZCYVLXFVRIMX-CKNLXJGOSA-N 450.783 5.931 50 10 JKGE C[C@@H]1C[C@H](n2c(CCCl)nc3cc(Br)c(F)cc32)CN1Cc1ccccc1 398227848 VPICAKYZOWAWAX-ZBFHGGJFSA-N 450.783 5.555 50 10 JKGE Fc1ccccc1[C@@H](CBr)Cc1cc(Cl)ccc1I 405545930 WFHIJQUVEDWFSX-LLVKDONJSA-N 453.520 5.805 50 10 JKGE 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 503996390 QGDQJFKTMDHPQG-YJSMYICESA-N 491.200 9.245 50 10 JKGE CC(C)(C)OC(=O)NCCN1CCO[C@@H](c2ccc(CCO[Si](C)(C)C(C)(C)C)cc2)C1 616646255 JSBUDXPOBSHZNH-JOCHJYFZSA-N 464.723 5.149 50 10 JKGE COc1ccc([C@@H](Br)c2scc(Br)c2Br)c(C)c1 705429158 WTAPPHCSZRTLKE-LLVKDONJSA-N 455.009 6.074 50 10 JKGE CO[C@@H](C(=O)NN=Cc1c(Br)c(C)n(-c2ccc(C)cc2)c1C)c1ccccc1 725424847 HPHLSNGLWSUJHP-JOCHJYFZSA-N 454.368 5.003 50 10 JKGE COc1ccc(C=NNC(=O)[C@@H](C)Oc2cccc3ccccc23)cc1CSc1ccccn1 1084039970 LSAKBMNUORTXLW-LJQANCHMSA-N 471.582 5.453 50 10 JKGE CCOc1cc(/C=C(\C#N)C(=O)N(C)C)c(Br)cc1OCc1ccc(Cl)cc1 1084047943 KVKJWOHTFMIWDH-CXUHLZMHSA-N 463.759 5.075 50 10 JKGE COc1cc(C=NNC(=O)c2ccc(-n3c(C)ccc3-c3ccccc3)cc2)ccc1OC(C)=O 1084079208 GHBVQMJODIQIMT-UHFFFAOYSA-N 467.525 5.151 50 10 JKGE N#C/C(=C/c1ccc(OCc2ccc(Cl)c(Cl)c2)cc1)C(=O)Nc1cccc(C(F)(F)F)c1 1084289679 KWTJGQLEHWVOML-YVLHZVERSA-N 491.296 7.137 50 10 JKGE CCCCCCOc1ccc([C@H]2CN(Cc3ccccc3)C[C@H]2CI)cc1 1614620699 VUFMDEYNMMOPNK-ISKFKSNPSA-N 477.430 6.296 50 10 JKGE N#CC1=C(N)Oc2c(c(-c3ccccc3)nn2Cc2ccccc2F)[C@H]1c1cccc2ccccc12 1865682371 NAKKAFCQGUGTBO-SANMLTNESA-N 472.523 6.109 50 10 JKGE COc1ccc(OC)c([C@@H]2C(C#N)=C(N)Oc3c2c(-c2ccccc2)nn3-c2ccccc2Cl)c1 1865693462 VYFCSUDSWNNHTM-HSZRJFAPSA-N 484.943 5.428 50 10 JKGE CSc1ccccc1C(=O)N/N=C\c1c(C(C)C)nc2c(Cl)cc(C(F)(F)F)cn12 1865761545 MRKNFABLMKXQPW-MWYAZZEHSA-N 454.905 5.616 50 10 JKGE COc1ccc(OC)c(/C(C)=N\NC(=O)c2ccc(-c3ccc(Cl)cc3Cl)nc2C)c1 1865763548 QRDATHMXWCXEOU-VYYCAZPPSA-N 458.345 5.535 50 10 JKGE CCCC[C@@H](NC(=O)Cc1nc(-c2ccc(Cl)cc2)oc1C)C(=O)Nc1ccc(SC#N)cc1 1866668589 AQLGQLYNPBMSJG-OAQYLSRUSA-N 497.020 5.733 50 10 JKGE CCC[C@H](NC(=O)CCc1csc(-c2ccccc2)n1)C(=O)Nc1ccc(SC#N)cc1 1867046956 DIMQQDSDDSZQKC-NRFANRHFSA-N 464.616 5.239 50 10 JKGE CCc1ccc([C@@H]2CN(c3cc(Nc4ccc(SC#N)cc4)nc(CCOC)n3)CCO2)cc1 1868253470 IJLKHIMSTKFPQF-QHCPKHFHSA-N 475.618 5.123 50 10 JKGE COCCCN1[C@H](C)CN(c2cc(Nc3ccc(SC#N)cc3)nc(C(C)(C)C)n2)C[C@H]1C 1868342109 KQKCOWXYVPFSLI-RTBURBONSA-N 468.671 5.026 50 10 JKGE COc1ccc2c(c1)[C@@H](c1ccccc1)N(c1cc(Nc3ccc(SC#N)cc3)nc(C)n1)CC2 1868479839 CAZISXVXKPSFSB-MUUNZHRXSA-N 479.609 6.263 50 10 JKGE COc1cc(/C=C(\C#N)c2nc3ccccc3n2C)ccc1OCc1ccc(Cl)c(Cl)c1 1872726712 AKSZKVLHKYTHFR-WOJGMQOQSA-N 464.352 6.532 50 10 JKGE CCCCc1ccc(-c2csc(/C(C#N)=C(\O)[C@H](C)Oc3ccc(Cl)cc3Cl)n2)cc1 1872745004 SQXVROAZMRUYEQ-BXPXOOBPSA-N 473.425 7.720 50 10 JKGE COC(=O)c1ccc(/C=C/C(O)=C(\C#N)c2nc(-c3cc(Cl)ccc3OC)cs2)cc1 1872758561 GOMVQOKREALIQS-MBEHLEGRSA-N 452.919 5.765 50 10 JKGE CC(C)[C@@H]1C[C@H]1[C@H](Cl)c1c(Br)sc(Br)c1Br 1897481013 ARFRMYQKLZVOKD-MYINAIGISA-N 451.449 6.608 50 10 JKGE Cc1c(Br)sc([C@H](Br)C2(c3ccccc3)CC2)c1Br 1922888739 SBGSLJXPBKUXEN-ZDUSSCGKSA-N 465.048 6.749 50 10 JKGE Brc1cnccc1C[C@H](Br)c1c(Br)cccc1Br 1924021575 KWZHPFCUVFOGKJ-NSHDSACASA-N 498.838 6.048 50 10 JKGE CC(C)c1ccccc1[C@@H](Cl)c1c(Br)sc(Br)c1Br 1924614167 MXGXXGYXGOQIRZ-GFCCVEGCSA-N 487.482 7.487 50 10 JKGE C[C@@H]1COc2ccc([C@@H](Br)c3cccc(Br)c3Br)cc21 1925683016 AYSRIVQYAIIDOQ-RFAUZJTJSA-N 460.991 6.192 50 10 JKGE Cc1cc([C@H](Br)c2c(Cl)cccc2Br)sc1Br 2003558198 QURMUANCMMGRBA-NSHDSACASA-N 459.428 6.719 50 10 JKGE CCN(C[C@@](C)(CI)OC[C@H]1CC12CCCC2)C(=O)OC(C)(C)C 2021268728 ZCZGGWITBDSMOK-CRAIPNDOSA-N 451.389 5.034 50 10 JKGE Cc1cc(Br)ccc1S(=O)(=O)N(Cc1ccccc1)[C@H](C)CCBr 2025940125 UAGMPKQVCQFPFK-OAHLLOKOSA-N 475.246 5.122 50 10 JKGE CC(C)(C1CCCCC1)[C@@H](Br)c1cc(Br)sc1Br 2032272514 NXMADQBKEZBFHJ-LBPRGKRZSA-N 459.085 7.316 50 10 JKGE Cc1cc(Br)c(CBr)c(N2C[C@H]3CN(Cc4ccccc4)C[C@@H]3C2)c1 2053220557 ZWTQKZDBJSYJHL-QZTJIDSGSA-N 464.245 5.221 50 10 JKGE Cc1cc(S(=O)(=O)N(Cc2ccccc2)Cc2cccs2)sc1CBr 2059286141 IJJLJSMXNZSZDZ-UHFFFAOYSA-N 456.452 5.404 50 10 JKGE Clc1c(Br)ccc(CBr)c1N1C[C@@H]2CCN(Cc3ccccc3)[C@H]2C1 2068561145 FHQURBOAGDDLSF-WMZOPIPTSA-N 484.663 5.708 50 10 JKGE CC(C)(C)OC(=O)NC[C@](C)(CI)OC[C@H]1C[C@@H]1C1CCCCCC1 2080295922 BETOVFKWLTVDRK-HLIPFELVSA-N 465.416 5.328 50 10 JKGE Fc1cc(Cl)ccc1[C@@H](Br)c1ccc(Br)cc1Br 2083336536 AXQOGYZKEMPKOR-ZDUSSCGKSA-N 457.362 6.488 50 10 JKGE Brc1cc(Br)c([C@H](Br)[C@@H]2C[C@H]3COC[C@H](C3)C2)s1 2085741177 MRFUXOCYBWFPRL-JDVQERKKSA-N 459.041 5.772 50 10 JKGE CCc1nc(Br)c(Br)n1CC1(CBr)CCCCCC1 2087649080 MAVVHCONTLSKJR-UHFFFAOYSA-N 457.048 5.706 50 10 JKGE BrCc1ccc(N2CCC[C@@H]2[C@@H]2CCN(Cc3ccccc3)C2)c(Br)c1 2089000831 PRRLKKSWMRCLQL-TZIWHRDSSA-N 478.272 5.835 50 10 JKGE COc1cc(Br)c(C)cc1[C@@H](Cl)c1csc(Br)c1Br 2093942122 KYTKDCGEJQKLEG-GFCCVEGCSA-N 489.454 6.681 50 10 JKGE CCC(CC)(CBr)CN=[S@](C)(=O)C[C@@H](NC(=O)OC(C)(C)C)C(C)(C)C 2106785079 AGVQVRQYCDIGRT-PVPMGCCUSA-N 455.503 5.225 50 10 JKGE Cc1cc(Br)c([C@H](Br)[C@@H]2[C@H]3CCCCC[C@H]32)cc1Br 2110919324 LSHGSKDQYCWCFD-TZCMFKBTSA-N 451.040 6.782 50 10 JKGE Brc1scc([C@H](Br)Cc2ccc3c(c2)CCO3)c1Br 2112342286 MHIIFTMVZQJFGZ-LLVKDONJSA-N 467.020 5.887 50 10 JKGE C[C@H](Cl)c1nc2cc(Cl)c(Br)cc2n1CCCN(C)Cc1ccccc1 2112691058 NOGLQZOTFAVWTL-AWEZNQCLSA-N 455.227 6.274 50 10 JKGE CC(C)C(COc1c(Br)cc(CBr)cc1Br)C(C)C 2132573369 MSRXMALKHOKKAM-UHFFFAOYSA-N 457.044 6.414 50 10 JKGE Cc1cc(Br)c(C)c([C@H](Br)C[C@@H]2CC[C@H](C)O2)c1Br 2136371484 OMRGCIQEPBMBOC-XHVZSJERSA-N 455.028 6.222 50 10 JKGE CC[C@H]1CC[C@H](COc2c(Br)cc(Br)cc2CBr)O1 2136743606 WXIYCLXSLJTHBI-NWDGAFQWSA-N 457.000 5.443 50 10 JKGE C[C@H](Cl)c1nc2cncc(Br)c2n1[C@@H]1CCOC[C@@H]1OCc1ccccc1 2151789598 NASKLQJFMHJHIK-VHSSKADRSA-N 450.764 5.040 50 10 JKGE C[C@H](Cl)c1nc2cncc(Br)c2n1CCCOCCOCc1ccccc1 2151794258 XIYHEXQVWPTZTH-HNNXBMFYSA-N 452.780 5.117 50 10 JKGE CC(C)(C)C[C@@H](CBr)CNC(=O)c1cc(Cl)ccc1I 2156326421 NKLBYRCYGITQDI-JTQLQIEISA-N 472.592 5.122 50 10 JKGE COc1ccc(Br)cc1Oc1cc(Br)cc(F)c1CBr 2170692924 GQSCTFUJRSJHBY-UHFFFAOYSA-N 468.942 6.047 50 10 JKGE FC1(F)C[C@H](n2c(CCl)nc3c(Br)cccc32)CN(Cc2ccccc2)C1 2184261438 XNOLYQRLRHTWDY-HNNXBMFYSA-N 454.746 5.620 50 10 JKGE Cc1cc(Br)c(C)c([C@H](Br)C2(C(C)(C)C)CCC2)c1Br 2201071147 DMNLQUXDTBLLAO-HNNXBMFYSA-N 467.083 7.481 50 10 JKGE COc1c(Cl)cc(Br)cc1[C@H](Cl)c1cc(Cl)ccc1Br 2202997501 KHGGDGHPTVFERT-CYBMUJFWSA-N 459.392 6.855 50 10 JKGE COc1cc(C)c(Br)cc1[C@@H](Cl)c1ccc(I)c(C)c1 2207100437 BUEPVVMARBGZJZ-INIZCTEOSA-N 465.556 6.007 50 10 JKGE CC[C@H](Br)CN(Cc1ccccc1)C(=O)c1ccc(C)c(I)c1 2210200080 MICRJBLPGRRFBW-KRWDZBQOSA-N 486.191 5.416 50 10 JKGE Fc1cscc1[C@H](Br)c1c(Br)cc(Cl)c(Cl)c1Cl 2217608519 ORUBQPQIVBVUHS-VIFPVBQESA-N 453.385 7.094 50 10 JKGE CCN(C(=O)c1scc(Br)c1Br)[C@@H]1CCC[C@H]1Br 2217702270 BWNMXIMSUAWGGG-VXNVDRBHSA-N 460.029 5.051 50 10 JKGE CCOCc1cc(Br)c([C@H](Cl)c2cscc2OCc2ccccc2)s1 2217985074 GQICKOHFBIJTQV-GOSISDBHSA-N 457.842 7.016 50 10 JKGE Cc1cc(Br)c([C@H](Br)[C@]23CO[C@](C)(C2)C3)c(C)c1Br 2227360721 VWPKFMZFIHBLDM-KKUMJFAQSA-N 453.012 5.834 50 10 JKGE FC(F)(F)[C@@H]1CCO[C@@H]1[C@H](Br)c1cc(Br)ccc1Br 2231815533 XIXPOXKCBSQZBX-IEBDPFPHSA-N 466.917 5.615 50 10 JKGE Cc1cc(Br)ccc1[C@@H](Cl)c1c(Br)cc(Cl)c(Cl)c1Cl 2232513799 RUTCTTMXXZKNGG-GFCCVEGCSA-N 477.838 7.808 50 10 JKGE Clc1cc(Br)c([C@@H](Br)[C@@H]2CC23CCOCC3)c(Cl)c1Cl 2232518109 ZQTMKBCLXDFYJE-CPCISQLKSA-N 463.424 6.662 50 10 JKGE Fc1cc(Br)c(Br)cc1[C@H](Br)c1ccccc1C1CC1 2233978254 ZPWRBRVAAHZPNG-MRXNPFEDSA-N 462.982 6.712 50 10 JKGE Cc1cc(Br)c([C@H](Br)[C@@H]2[C@H](C)O[C@@H](C)[C@@H]2C)c(C)c1Br 2235604257 NCADRVQZFIVICN-KHQZGXOXSA-N 469.055 6.324 50 10 JKGE Cc1cc(Br)c([C@H](Br)C[C@@H]2C[C@H]2C(F)(F)F)c(C)c1Br 2235607845 HHWYYROCFGYDDY-IQJOONFLSA-N 478.972 6.853 50 10 JKGE COc1c(Br)cc(Cl)cc1[C@H](Br)c1ncsc1Br 2253402957 KQZCEWDBSAYARB-QMMMGPOBSA-N 476.415 5.814 50 10 JKGE Cc1c(Br)sc([C@H](Br)c2cccc(Cl)c2Br)c1C 2256124605 YJJUSGQTLQTRHF-LLVKDONJSA-N 473.455 7.028 50 10 JKGE Clc1cccc(C[C@@H](Br)c2ccc(Cl)c(I)c2)c1 2256361594 YFZNASRRLPSIQT-GFCCVEGCSA-N 455.948 6.277 50 10 JKGE FC1(F)C[C@@H]([C@@H](Br)c2c(Br)sc(Br)c2Cl)C12CCC2 2266150140 ZWPDJNRHDIXDMQ-CAHLUQPWSA-N 499.440 7.188 50 10 JKGE COc1ccc([C@@H](Cl)c2ccc(Br)cc2F)cc1I 2269539079 CXGSVRVEKZHGEU-CQSZACIVSA-N 455.492 5.530 50 10 JKGE COc1ccc([C@@H](Br)c2cc(Br)ccc2Br)c(C)c1C 2284604135 CNRIBEJUTJGSMT-MRXNPFEDSA-N 463.007 6.321 50 10 JKGE CC1(C)CCC[C@@H]([C@@H](Br)c2c(F)cc(Br)c(F)c2Br)C1 2288347847 YWQCBIRSIJMINU-PRHODGIISA-N 475.009 7.142 50 10 JKGE N#CC(=Cc1ccc(-c2ccc(Cl)c([N+](=O)[O-])c2)o1)C(=O)Nc1cccc(Br)c1 2293038760 YCEWSFGVVIZDIP-UHFFFAOYSA-N 472.682 5.816 50 10 JKGE COc1c(Br)cc([C@@H](Br)c2sncc2Br)c(OC)c1C 2295424940 ACYQAZZNMXGSGT-SNVBAGLBSA-N 486.023 5.478 50 10 JKGE CCCOc1ccc(C=C(NC(=O)c2ccccc2)C(=O)NN=CC=Cc2ccccc2)cc1 2296734205 XSVRLDAFKQIWSY-UHFFFAOYSA-N 453.542 5.062 50 10 JKGE Cc1ccc(C)c(NC(=O)C(C#N)=Cc2ccc(OC(=O)c3ccc(Br)cc3)cc2)c1 2297399761 BRXSBEKGNDGDTA-UHFFFAOYSA-N 475.342 5.831 50 10 JKGE Cc1sc(Br)cc1[C@H](Cl)c1cc(Br)ccc1OCc1ccccc1 2299505393 WOFQTSODEGKMBP-IBGZPJMESA-N 486.656 7.489 50 10 JKGE CC(C)CC[C@@H](Br)c1c(Cl)cc(Br)c(F)c1Br 2300177883 CFDPGXCWRUKLQF-SSDOTTSWSA-N 451.399 6.876 50 10 JKGE CCOc1cc(C=C(C#N)C(=O)Nc2ccc(C)cc2)cc(Cl)c1OCc1ccccc1Cl 2313540952 FSTXNCCJWKLAJQ-UHFFFAOYSA-N 481.379 6.825 50 10 JKGE COc1ccc(CNC(=O)C(C#N)=Cc2cc(Br)ccc2OCc2cccc(F)c2)cc1 2313738415 BYYMCJJCQNUARU-UHFFFAOYSA-N 495.348 5.399 50 10 JKGE CC1(C)OCCO[C@@H]1[C@@H](Br)c1cc(Br)ccc1OCc1ccccc1 2314441340 XXTDRYHKARDCAG-RBUKOAKNSA-N 470.201 5.658 50 10 JKGE Brc1cc(OCc2ccccc2)ccc1[C@H](Br)C1C[C@@H]2CCC[C@H]2C1 2314446561 URKSQVPQQCACIU-PNLZDCPESA-N 464.241 7.290 50 10 JKGE CC1(C)CO[C@H](C[C@@H](Br)c2cc(Br)ccc2OCc2ccccc2)C1 2314451055 BLTZPFYPLQHYLI-IEBWSBKVSA-N 468.229 6.669 50 10 JKGE Cc1ccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)C=Cc4ccc(C(C)(C)C)cc4)ccc32)o1 2314634520 DHYFOJVEQLLRDI-SANMLTNESA-N 454.526 5.723 50 10 JKGE C[C@@H]1CO[C@@H]([C@@H](Br)c2c(Cl)cc(Br)c(F)c2Br)C1 2315440648 VWPKQOYEKFPNLF-VCPWFBHLSA-N 465.382 5.865 50 10 JKGE CCN[C@H](c1c(Cl)cc(Br)c(F)c1Br)[C@@H]1C[C@H]1Br 2315465619 NZTSWTVJACPWRP-YZGOCOMISA-N 464.398 5.438 50 10 JKGE Clc1cc(I)c([C@H](Br)[C@@]23CCCC[C@@H]2CCC3)s1 2316601475 SYZYLZGNWPVTMT-BIGNPOOSSA-N 459.618 6.803 50 10 JKGE N#CC(=Cc1ccc(OC(=O)c2ccc(S(=O)(=O)N3CCCCC3)cc2)cc1)c1ccccc1F 2320507004 WQCJRWMLLZTSFF-UHFFFAOYSA-N 490.556 5.284 50 10 JKGE COc1c(Cl)cc(C=NNC(=O)c2ccc3nc(Cc4ccccc4)[nH]c3c2)cc1Cl 2323721421 SNWANTZOBKAAGU-UHFFFAOYSA-N 453.329 5.233 50 10 JKGE N#CC(=C(O)c1ccc(Cl)c(Cl)c1)c1nc(-c2ccc(Br)cc2)cs1 2331259646 GZBVYAVZXHXXQT-UHFFFAOYSA-N 452.160 6.829 50 10 JKGE CC(C)CN1C(=O)c2ccc(C(O)=C(C#N)c3nc(-c4ccc(C(C)C)cc4)cs3)cc2C1=O 2331339846 CASRZBQOXFGLOW-UHFFFAOYSA-N 471.582 6.135 50 10 JKGE COc1cc(Cl)c(C)cc1-c1csc(C(C#N)=C(O)c2ccc(Cl)cc2[N+](=O)[O-])n1 2331392064 MIFUQGXFDBCQQP-UHFFFAOYSA-N 462.314 6.292 50 10 JKGE CCCOc1ccc(-c2csc(C(C#N)=Cc3ccc(OCc4ccccc4C)cc3)n2)cc1 2331445362 MXKXVQZIRIGYDP-UHFFFAOYSA-N 466.606 7.551 50 10 JKGE Brc1ccc(OCc2ccccc2)c([C@@H](Br)[C@H]2CCn3ncnc3C2)c1 2336083195 IFZJIPFJGGIALZ-YWZLYKJASA-N 477.200 5.318 50 10 JKGE ClCc1cc(Br)cnc1OCc1cc(Br)cc(Br)c1 2337103739 XBGLSDWVQRQIGR-UHFFFAOYSA-N 470.386 5.687 50 10 JKGE Cn1nc(Br)c(Br)c1[C@H](Br)Cc1c(F)cccc1Cl 2338691216 PQBBGSHSTYBTMV-SSDOTTSWSA-N 475.381 5.416 50 10 JKGE Cc1cc(Br)c(F)c(Br)c1[C@@H](Br)COCC(F)(F)F 2339649707 YBDBJGOUWHKPJC-ZETCQYMHSA-N 472.896 5.674 50 10 JKGE Cc1cc(Br)c(F)c(Br)c1[C@H](Br)[C@@H]1C[C@@H]1C(C)(C)C 2339651026 LITFIBGGYMRXCO-VDDIYKPWSA-N 457.019 6.777 50 10 JKGE Cl[C@@H]1CCCC[C@H]1CCNCc1ccc(I)c(Br)c1 2349836175 LVZNTBYXYAWRDY-GXTWGEPZSA-N 456.593 5.331 50 10 JKGE FC1(F)CCC(CCl)(Cc2ccc(I)c(Br)c2)CC1 2349845019 LKWUWDOAORUGDJ-UHFFFAOYSA-N 463.531 6.031 50 10 JKGE Cc1cc(Br)c([C@H](Br)[C@H]2CC[C@@H]3[C@H](C2)C3(F)F)cc1Br 2354772614 YILHJXIUFVOHEN-WQURNTSKSA-N 472.993 6.637 50 10 JKGE Brc1cc(OCc2ccccc2)ccc1[C@H](Br)[C@@H]1CCOc2ccccc21 2361196633 ZMIVKZADFKBLOB-AUSIDOKSSA-N 488.219 7.030 50 10 JKGE CC(F)(F)C1([C@@H](Br)c2c(Cl)cc(Br)c(F)c2Br)CCC1 2362223241 LLXLWCOYNDKZKT-NSHDSACASA-N 499.390 7.266 50 10 JKGE FC(F)(F)Oc1cccc([C@H](Cl)c2sc(Cl)cc2I)c1 2363890371 AGEIALUURBABLY-JTQLQIEISA-N 453.050 6.233 50 10 JKGE Cc1cc(Br)c(F)c(Br)c1[C@H](Br)C(F)(F)[C@H]1CCOC1 2365193961 MYHRNYDFQRAOLF-MADCSZMMSA-N 480.944 5.767 50 10 JKGE Cc1ccc(C[C@H]2S/C(=C(\C#N)C(=O)Nc3ccc(C)cc3)N(c3ccc(F)cc3)C2=O)cc1 33579568 NSKPGYGQXXWQPY-GUNDDFSMSA-N 471.557 5.508 50 10 JKGE COc1ccc(NC(=O)/C(C#N)=C\c2ccc(OCCOc3ccc(C(C)(C)C)cc3)cc2)cc1 34829356 NNVAFJZKXQLERN-QOCHGBHMSA-N 470.569 5.996 50 10 JKGE CCSc1ccc(-c2nn(-c3ccccc3)cc2/C=C(/C#N)S(=O)(=O)c2ccc(C)cc2)cc1 35445863 UEJBFSBZGQRWJI-ONUIUJJFSA-N 485.634 6.298 50 10 JKGE N#C/C(=C\c1cn(-c2ccccc2)nc1C12CC3CC(CC(C3)C1)C2)C(=O)NCc1ccco1 35447032 OEAWYMBFYKMCKN-WSDLNYQXSA-N 452.558 5.156 50 10 JKGE CCOc1cc(/C=C2/C(=O)N(Cc3ccc(C)cc3)C(=O)C(C#N)=C2C)ccc1OCC(C)C 38608446 GBJUIKDOVOZVAM-YDZHTSKRSA-N 458.558 5.221 50 10 JKGE Cc1ccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)[C@H](C)Oc4ccc(C(C)C)cc4)ccc32)o1 38659369 CRAFMSICPNLNGL-SSOJOUAXSA-N 458.514 5.303 50 10 JKGE CCCCCOc1cccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)COc4ccc(C)cc4)ccc32)c1 38684780 NHJULAXJEFHJNQ-GDLZYMKVSA-N 498.579 5.767 50 10 JKGE CCCCOc1cccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4cccc(OCC)c4)ccc32)c1 38685207 KXLUEEPJZTYINF-MHZLTWQESA-N 484.552 5.702 50 10 JKGE COc1ccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4oc5ccc(C)cc5c4C)ccc32)cc1OC 38688625 RMISMQLWROLSSY-AREMUKBSSA-N 496.519 5.504 50 10 JKGE Cc1c(C(=O)Nc2ccc(F)cc2F)oc2c1/C(=N/NC(=O)c1ccc(Cl)cc1Cl)CCC2 40813749 DTUZEFZANMEMAX-RDRPBHBLSA-N 492.309 5.896 50 10 JKGE Cc1cc(C)cc(OC(=O)c2oc3c(c2C)/C(=N/NC(=O)Cc2coc4cc(C)cc(C)c24)CCC3)c1 40826868 DHUQVEXEARABPL-UQRQXUALSA-N 498.579 6.186 50 10 JKGE CCCCCCOc1ccc(/C=C(\C#N)C(=O)Nc2ccc(C(=O)OCC(C)C)cc2)cc1OC 40853625 WYBXYWBTKQBZEK-XQNSMLJCSA-N 478.589 6.013 50 10 JKGE CCOc1ccc(/C=C(\C#N)C(=O)Nc2nc(-c3cccc(Cl)c3)c(C)s2)cc1OC 40927293 NOSHJCFBQFFTRT-LICLKQGHSA-N 453.951 5.725 50 10 JKGE Cc1ccc(N2Cc3ccc(C(=O)N/N=C/c4c5ccccc5cc5ccccc45)cc3C2)cc1 58871944 STSUMGQGHKJFLT-KCSSXMTESA-N 455.561 6.586 50 10 JKGE CC(C)(c1ccccc1)c1ccc(OCC(=O)N/N=C/c2cc(Cl)cc(Cl)c2O)cc1 59166410 FUIIOCUENOQMMT-MZJWZYIUSA-N 457.357 5.554 50 10 JKGE N#C/C(=C\c1cc(Br)ccc1OCc1ccccc1Cl)C(=O)NC1CCCC1 59282309 WZMFRMXWNUFTDU-GZTJUZNOSA-N 459.771 5.647 50 10 JKGE CCOc1cc(/C=N/NC(=O)c2cc3ccccc3o2)cc(Cl)c1OCc1ccccc1C#N 59679818 FILYKKWSXSZZSG-WKULSOCRSA-N 473.916 5.699 50 10 JKGE O=C(N/N=C/c1ccc(OCc2cccc([N+](=O)[O-])c2)c(Br)c1)c1cc2ccccc2o1 59679907 WNBSISLQWIVCQM-DHRITJCHSA-N 494.301 5.446 50 10 JKGE COc1ccc([C@H](Cl)c2cc(Br)ccc2Br)cc1Br 109803284 MKKISQCURCUBIJ-AWEZNQCLSA-N 469.398 6.311 50 10 JKGE O=C(N[C@@H](CBr)c1ccccc1)c1cc(Br)ccc1Br 161219425 UFGQISJPVDMNQY-AWEZNQCLSA-N 461.979 5.078 50 10 JKGE N#C/C(=C/Nc1cc(C(F)(F)F)cc(C(F)(F)F)c1)C(=O)Nc1cccc(Cl)c1Cl 217128418 QFBGXIAAINLFJJ-HJWRWDBZSA-N 468.184 6.489 50 10 JKGE CCc1ccc(CC)c([C@@H](Br)c2cc(Br)cc(Br)c2)c1 234175282 RRWGZMNUBAJECZ-KRWDZBQOSA-N 461.035 6.821 50 10 JKGE Cc1cc(Br)c([C@@H](Cl)c2cc(Br)cc(Br)c2)s1 235813898 RELDFBCGOLWAKR-NSHDSACASA-N 459.428 6.672 50 10 JKGE Cc1ccc(Cn2c(SCC(=O)NN=C/C=C/c3ccccc3[N+](=O)[O-])nc3ccccc32)cc1 254387024 LOFUCTFQKBZJJM-SBUPGQCKSA-N 485.569 5.209 50 10 JKGE CCCOc1ccc(C(=O)Oc2ccc(C=NNC(=O)c3ccc(-n4c(C)ccc4C)cc3)cc2)cc1 254758877 NASUFCHCLLPIKO-UHFFFAOYSA-N 495.579 5.866 50 10 JKGE CCCCOc1ccc(C(=O)NN=Cc2ccc(OC(=O)c3ccc(OCCC)cc3)cc2)cc1 254816599 NTXLITKNWULPHE-UHFFFAOYSA-N 474.557 5.637 50 10 JKGE CCC(=NNC(=O)c1cc(-c2ccc(C)c(C)c2)nc2ccccc12)C12CC3CC(CC(C3)C1)C2 254908150 OQSXFUJHFGYAGS-UHFFFAOYSA-N 465.641 7.231 50 10 JKGE CCCCCOc1ccc(C=NNC(=O)[C@@H](C)Oc2ccc(C)cc2Br)cc1OC 256017348 HHTCJFWNKXERKW-QGZVFWFLSA-N 477.399 5.253 50 10 JKGE CCCOc1ccc2cc(C(=O)O/N=C3\C[C@H]4CC[C@@]3(C)[C@]4(C)CBr)c(=O)oc2c1 256020082 WHGOGAJUINOKEW-AZDMEGNMSA-N 476.367 5.316 50 10 JKGE ON=C(c1ccccc1)c1ccc(N=P(c2ccccc2)(c2ccccc2)c2ccccc2)cc1 263630601 HZQIPVWRUZPTBW-UHFFFAOYSA-N 472.528 6.722 50 10 JKGE CN(C(=O)OC(C)(C)C)c1ccc([C@H]2COCCCN2CCO[Si](C)(C)C(C)(C)C)cc1 616598577 DZGSADGDUVFPIA-JOCHJYFZSA-N 464.723 5.843 50 10 JKGE BrCC(CBr)(Cc1sccc1Br)C1CCCCCC1 696859541 WSPZNKZKCDYVAJ-UHFFFAOYSA-N 473.112 6.800 50 10 JKGE CC[C@H](C[C@@H](Br)c1cc(Br)c(C)cc1Br)C(C)(C)C 711129308 FSKHUUHRIFSFMB-IAQYHMDHSA-N 455.072 7.418 50 10 JKGE Fc1cc(Br)cc(CBr)c1OCc1ncccc1Br 715814184 PYSHCJNGSJMXDS-UHFFFAOYSA-N 453.931 5.220 50 10 JKGE CC(C)CC(CBr)(CBr)Cc1cccc(Cl)c1Br 719388612 BSVVMBJIBVIRDJ-UHFFFAOYSA-N 461.463 6.467 50 10 JKGE COc1cc(/C=C(/C#N)C(=O)Nc2cc(C)ccc2C)ccc1Oc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] 725429331 AJOFAUWKZANNFX-WQRHYEAKSA-N 488.456 5.466 50 10 JKGE CO[C@H](C(=O)NN=Cc1c(Br)c(C)n(-c2ccc(C)cc2C)c1C)c1ccccc1 1084206381 UHTNJNSVTXVZHX-QHCPKHFHSA-N 468.395 5.311 50 10 JKGE COc1c(Br)cc(/C=C(\C#N)C(=O)Nc2cccc(Cl)c2Cl)cc1[N+](=O)[O-] 1084632743 GTNVAOVTGPYEKN-BJMVGYQFSA-N 471.094 5.218 50 10 JKGE Cc1c(C(=O)Nc2cccc([N+](=O)[O-])c2)oc2c1C(=NNC(=O)c1cccc3ccccc13)CCC2 1772746908 BIWMKXOSQXYXAN-UHFFFAOYSA-N 482.496 5.372 50 10 JKGE Cc1c(C(=O)N2CCCc3ccccc32)oc2c1C(=NNC(=O)c1cccc3ccccc13)CCC2 1772747649 KGJGXJPNHSFBCI-UHFFFAOYSA-N 477.564 5.805 50 10 JKGE Cc1c(C(=O)N2CCCC[C@@H]2C)oc2c1C(=NNC(=O)c1ccc(Cl)cc1Cl)CCC2 1772749313 ZQQBVYXYRWGREV-ZDUSSCGKSA-N 462.377 5.380 50 10 JKGE COc1cc(C=NNC(=O)CSc2nc3ccccc3[nH]2)ccc1OCc1cccc(Cl)c1 1772760362 GGFUHANPLWCJIQ-UHFFFAOYSA-N 480.977 5.046 50 10 JKGE CC1(C)[C@H](C[C@H](Cl)C(F)(F)F)[C@H]1C(=O)O[C@H](C#N)c1cccc(Oc2ccccc2)c1 1848437157 IAUVWGRLHYJZGL-ZRNYENFQSA-N 451.872 6.419 50 10 JKGE N#CC1=C(N)Oc2c(c(C(F)(F)F)nn2-c2ccccc2Cl)[C@@H]1c1ccc(Cl)c(Cl)c1 1865685121 FYLSMOZOXDACEZ-OAHLLOKOSA-N 485.680 6.069 50 10 JKGE C=CCOc1ccccc1[C@H]1C(C#N)=C(N)Oc2c1c(CCC)nn2Cc1cc(C)ccc1C 1865690773 ARCZBZXZNKWWIM-VWLOTQADSA-N 454.574 5.284 50 10 JKGE CCCOc1c(OC)cccc1[C@@H]1C(C#N)=C(N)Oc2c1c(CCC)nn2Cc1ccc(F)cc1 1865693876 RJPSOGCTKGYIGT-HSZRJFAPSA-N 476.552 5.039 50 10 JKGE CCCOc1ccc([C@@H]2C(C#N)=C(N)Oc3c2c(-c2ccccc2)nn3-c2cccc3ccccc23)cc1 1865693963 NJBCVCPJZDRYHB-MUUNZHRXSA-N 498.586 6.699 50 10 JKGE Cc1nn(-c2ccccc2Cl)c2c1[C@H](c1cccc(OCc3ccccc3)c1)C(C#N)=C(N)O2 1865712418 XXGWWZRAUZPIRU-RUZDIDTESA-N 468.944 5.631 50 10 JKGE Cc1nc(-c2ccc(Cl)cc2Cl)ccc1C(=O)N/N=C\c1c(C)nc2scc(C)n12 1865760653 IRWVZRJXLXHFOW-OPVMPGTRSA-N 458.374 5.454 50 10 JKGE COc1ccc(OC/C(O)=C(\C#N)c2nc(-c3ccc(Cl)cc3Cl)cs2)c(C(C)(C)C)c1 1872745217 YCUVQDHQHNNFGR-FXBPSFAMSA-N 489.424 7.295 50 10 JKGE COc1ccc(/C=C(C(/O)=C(\C#N)c2nc(-c3ccc4c(c3)OCO4)cs2)\c2ccccc2)cc1 1872752510 GYGVSQNOHHDVAD-ZHJGTXQPSA-N 480.545 6.581 50 10 JKGE CCc1ccc(OCCC/C(O)=C(\C#N)c2nc(-c3cc(Cl)cc(Cl)c3OC)cs2)cc1 1872754363 PBMYQVORAKTXJS-QOCHGBHMSA-N 489.424 7.340 50 10 JKGE COc1c(Cl)cc(-c2csc(/C(C#N)=C(O)/C=C/c3ccc(C(C)C)cc3)n2)cc1Cl 1872755766 FCWGRPLJYVTCEK-UAWJGFCLSA-N 471.409 7.755 50 10 JKGE Fc1c(Br)cc(Cl)c([C@H](Cl)[C@H]2C[C@@H]2Br)c1Br 1900362219 RPGKLXNJKYBUKY-GSCDEJIISA-N 455.774 6.067 50 10 JKGE O=C1c2ccccc2C(=O)N1C[C@@H](Br)CCCCc1cc(Cl)cc(Cl)c1 1901975547 GATANJBOADTNDA-AWEZNQCLSA-N 455.179 5.766 50 10 JKGE CC(C)[C@H](Cc1ccc(I)c(Br)c1)[C@@H](C)Br 1904322576 QSGDDVSXVDJOBA-KOLCDFICSA-N 459.991 5.652 50 10 JKGE Brc1cc(C[C@@H]2CCCC[C@H]2Br)ccc1I 1904328920 YLHPVGMAMHUICS-WDEREUQCSA-N 457.975 5.550 50 10 JKGE CN(C[C@H](Br)COCc1ccccc1)C(=O)c1cc(Cl)cc(Br)c1 1916383731 OKHAHITYFLWWJP-INIZCTEOSA-N 475.608 5.155 50 10 JKGE COc1ccc([C@H](Cl)c2sc(Br)c(C)c2Br)cc1Br 1922896628 GUBDNVCIBOPXMW-NSHDSACASA-N 489.454 6.681 50 10 JKGE Fc1ccc([C@H](Br)c2c(Br)sc(Br)c2Cl)cc1Cl 1923055397 SNETZEDAGRHMNX-QMMMGPOBSA-N 497.836 7.203 50 10 JKGE Cc1csc([C@@H](Cl)c2c(Br)sc(Br)c2Br)c1 1924605912 YMTNEXCYOJEQPX-MRVPVSSYSA-N 465.457 6.734 50 10 JKGE Cl[C@H](c1c(Br)sc(Br)c1Br)[C@@H]1C[C@H]2O[C@H]1[C@H]1C[C@H]12 1924612741 DHEZAVMOAVTJSO-QZZNGAERSA-N 477.443 5.739 50 10 JKGE Cl[C@H](C[C@H]1CCCOCC1)c1c(Br)sc(Br)c1Br 1924616117 LHHRRYAQCBUZAH-JGVFFNPUSA-N 481.475 6.522 50 10 JKGE Clc1ccc([C@@H](CI)OCCOCCOCc2ccccc2)cc1 2007814378 OUANTIRKCJWWBG-LJQANCHMSA-N 460.739 5.066 50 10 JKGE CC(C)CN(Cc1ccccc1)S(=O)(=O)c1ccc(CBr)cc1Br 2009657529 BCCMUWQCOVGREC-UHFFFAOYSA-N 475.246 5.191 50 10 JKGE Cc1sc(Br)c([C@H](Br)c2ccc(OCc3ccccc3)cc2)c1C 2024028450 MAHOSBASTQMSEU-LJQANCHMSA-N 466.238 7.191 50 10 JKGE CC1(C)[C@H]2CC[C@@H](C2)[C@H]1[C@H](Br)c1cc(Br)c(Br)s1 2029601157 SSWTYSZAVFEBNO-RJVLYZLMSA-N 457.069 6.781 50 10 JKGE Fc1ccc([C@@H](Cl)c2c(Br)cccc2Br)cc1Br 2033084390 PBFFGVVWNRWGMQ-CYBMUJFWSA-N 457.362 6.441 50 10 JKGE COc1sc([C@@H](Br)c2ccc(Br)c(Cl)c2)cc1Br 2034629557 ODUXURIOKODJLS-NSHDSACASA-N 475.427 6.419 50 10 JKGE C[C@@H]1CCC[C@H]([C@H](Cl)c2c(Br)sc(Br)c2Br)CC1 2039360506 TUAZRHZWZLFJOX-FYBVGQRMSA-N 479.503 7.532 50 10 JKGE CCOC(=O)c1ccc(N2C(=O)C(=CNc3ccc(SC#N)cc3C)c3ccccc3C2=O)cc1 2042445589 WRFXZLLINDAJON-UHFFFAOYSA-N 483.549 5.385 50 10 JKGE C[C@@H](C[C@H]1CCCCCN1C(=O)OC(C)(C)C)NCCSSCCNC(=O)OC(C)(C)C 2061265555 IRYFXFXCNHBMHO-RBUKOAKNSA-N 491.764 5.440 50 10 JKGE COc1ccc(Cn2nc(CBr)c(Br)c2C(F)(F)F)cc1Cl 2079229000 CLIJPLBQIAHKKF-UHFFFAOYSA-N 462.491 5.270 50 10 JKGE CC[C@@]12CC[C@@]([C@H](Br)c3sc(Br)cc3Br)(CO1)C2 2082031555 KYCVNUOXOMWCGA-AGIUHOORSA-N 459.041 6.058 50 10 JKGE FC1(F)C[C@@]1(Br)COc1c(Br)cc(Br)cc1CCl 2082493381 NHTVOGITQWZYFO-SNVBAGLBSA-N 469.345 5.502 50 10 JKGE Clc1ccc(C[C@H](Cl)c2ccc(Br)cc2I)nc1 2086148642 DMPIOJVGXUUBQH-LBPRGKRZSA-N 456.936 5.625 50 10 JKGE COc1ccc(Cl)cc1[C@H](Br)Cc1ccccc1I 2087564927 XGTVDRMDMATCJU-CYBMUJFWSA-N 451.529 5.632 50 10 JKGE C[C@@H]1Cc2cc([C@@H](Br)c3ncsc3Br)cc(Br)c2O1 2090458296 OBBHKZUCADVYJG-LHLIQPBNSA-N 468.008 5.476 50 10 JKGE C[C@H](Br)C[C@@H]1CCCCN1Cc1c(Br)cccc1Br 2094101104 ZIPNOZWBTSDNGH-RYUDHWBXSA-N 454.044 5.740 50 10 JKGE Clc1cc(Br)ccc1[C@@H](Br)c1cc(C2CC2)c(Br)s1 2094673721 OASRSPUHDQXUJD-CYBMUJFWSA-N 485.466 7.288 50 10 JKGE C[C@@]1(C2CC2)CN(c2cc(Br)ccc2CBr)CCN1Cc1ccccc1 2094731748 BFKGVJYRFPQCCZ-QFIPXVFZSA-N 478.272 5.835 50 10 JKGE CC1(C)CCC[C@@H]([C@H](Br)c2c(Br)sc(Br)c2Cl)CC1 2100837959 HNYQFOAXIHCTLX-SCZZXKLOSA-N 493.530 7.969 50 10 JKGE C[C@H]1C[C@@H](n2c(CCl)nc3cc(Br)c(Cl)cc32)CN1Cc1ccccc1 2103623720 LQAXSHPUNHHHEY-DZGCQCFKSA-N 453.211 6.027 50 10 JKGE Clc1cccc(Cl)c1C[C@@H](Br)c1cc(Br)ccc1Br 2104778804 XKKRHFDFKBVNKI-GFCCVEGCSA-N 487.844 7.197 50 10 JKGE Fc1cc(Br)cc(CC[C@H](Br)c2ccc(Br)cc2)c1 2113491524 PODHDUDOZSZLRN-HNNXBMFYSA-N 450.971 6.420 50 10 JKGE C[C@H](CCCCCI)NC(=O)c1cc(Br)ccc1Cl 2117895219 QBRVMUSRXBLLJK-SNVBAGLBSA-N 458.565 5.216 50 10 JKGE CC(F)(F)c1ccc([C@H](Br)c2cc(Br)sc2Br)cc1 2128391529 XQYPLGBGWRNTGF-NSHDSACASA-N 474.990 6.869 50 10 JKGE FC(F)(C1CCCCC1)[C@H](Cl)c1c(Br)sc(Br)c1Cl 2128818909 WCQUFEPUQOXYFK-SECBINFHSA-N 457.005 7.422 50 10 JKGE Cc1csc([C@@H](Br)c2c(C)c(Br)cc(C)c2Br)c1Cl 2136380737 WLELBWHYBFZDHZ-LBPRGKRZSA-N 487.482 7.336 50 10 JKGE Cc1c(Br)cccc1[C@H](Cl)c1ccc(Br)c(C)c1Br 2138863601 MPLGYUUZIGCQAP-HNNXBMFYSA-N 467.426 6.919 50 10 JKGE C[C@]1([C@@H](Br)c2ccc(Br)cc2Br)CCCCC1(F)F 2138873645 QMRBIQWXHSCKRG-QWHCGFSZSA-N 460.982 6.863 50 10 JKGE Brc1cccc(C[C@H]2CCc3ccccc3[C@H]2Br)c1Br 2148755533 ZHKJDJINIAZAJI-CJNGLKHVSA-N 459.019 6.453 50 10 JKGE Fc1c(C[C@H](CBr)c2cccc(Br)c2)ccc(Cl)c1Br 2166826038 XELHSLIFJKBADR-LLVKDONJSA-N 485.416 6.725 50 10 JKGE COc1cc(C)c(Br)cc1[C@H](Cl)c1cc(I)ccc1F 2169668595 RPKFRLHGYFWXLH-OAHLLOKOSA-N 469.519 5.838 50 10 JKGE Clc1sc([C@H](Cl)c2cc3c(cc2Br)OCCO3)cc1Br 2172569384 MKNVZICTKJQDFT-GFCCVEGCSA-N 458.986 6.026 50 10 JKGE Cc1c(Br)sc([C@@H](Br)C2CC3(C2)C(F)(F)C32CC2)c1Br 2183920816 UTOVWZVUUFMINT-GAAAAHHMSA-N 491.033 6.843 50 10 JKGE COc1c(Br)cc(C)cc1[C@H](Br)c1cc(C)cc(Br)c1 2203823627 KCOCNTPEMLBMHT-OAHLLOKOSA-N 463.007 6.321 50 10 JKGE COc1ccc(C(C)C)cc1[C@@H](Br)c1csc(Br)c1Br 2203866910 AQDWTVTWGOLONH-CYBMUJFWSA-N 483.063 6.889 50 10 JKGE Brc1ccc([C@H](Br)c2ccc(-c3cccs3)s2)c(Br)c1 2205861672 RFLTYKIAQMPJSJ-HNNXBMFYSA-N 493.083 7.486 50 10 JKGE COc1c(C)cc(Br)cc1[C@@H](Br)c1c(C)nn(C)c1Br 2206606853 WAIUKQLJMNCAKP-GFCCVEGCSA-N 466.999 5.055 50 10 JKGE COc1cc(F)c(Cl)cc1[C@@H](Br)c1ccc(F)cc1I 2207363326 OWKGDHATRMWINA-AWEZNQCLSA-N 473.482 5.716 50 10 JKGE CCc1sc(Br)cc1[C@@H](Br)c1sc(C)cc1Br 2215943656 RTNHUKGWYJHZFS-LLVKDONJSA-N 459.066 6.690 50 10 JKGE Cc1cc(Br)c([C@H](Br)c2cccc(Br)c2)c(C)c1Cl 2224316084 AHNSJTIUTOEJPK-CQSZACIVSA-N 467.426 6.966 50 10 JKGE COc1cc(Br)ccc1[C@H](Br)c1c(C)sc(Br)c1C 2225865768 MOOCNKRBXMEUTK-ZDUSSCGKSA-N 469.036 6.383 50 10 JKGE Cc1cc([C@@H](Br)c2c(Br)cc(C)c(Br)c2C)sc1C 2227351406 MCGANODLWUYQSN-OAHLLOKOSA-N 467.064 6.991 50 10 JKGE COc1cccc([C@H](Cl)Cc2sc(Br)c(Br)c2Br)c1 2230063106 WZEPRWXHAFQVTG-SECBINFHSA-N 489.454 6.567 50 10 JKGE Clc1cc(Br)c([C@H](Br)CC[C@@H]2CCCCO2)c(Cl)c1Cl 2232509969 FVNRFZBJTPXUIF-DTWKUNHWSA-N 465.440 7.195 50 10 JKGE Fc1cc(Br)cc2c1nc(CCl)n2CC[C@@H]1CCN(Cc2ccccc2)C1 2232916293 OSYHVELZXANLNY-INIZCTEOSA-N 450.783 5.589 50 10 JKGE CCOCc1cc(Br)c([C@@H](Br)c2c(Br)nn(C)c2C)s1 2233023591 YZKYAFKGHHCZJS-NSHDSACASA-N 487.055 5.336 50 10 JKGE CCOCc1cc(Br)c([C@@H](Br)c2cn(CC)c(Br)n2)s1 2233031020 JYLNWSOYSVOPGT-NSHDSACASA-N 487.055 5.510 50 10 JKGE Clc1ccc(I)c(CN2C[C@H]3CCCC[C@@]3(CBr)C2)c1 2238826132 FYMHDCPZXOPDNR-CZUORRHYSA-N 468.604 5.332 50 10 JKGE CCc1cc([C@H](Cl)c2cc(Cl)ccc2I)sc1Br 2256055826 JOMWVTSAVIBPCM-GFCCVEGCSA-N 476.004 6.659 50 10 JKGE Cc1cc(Br)c([C@H](Br)C[C@@H]2CCCC23CC3)cc1Br 2266625367 ADDFXALKURYVGO-XHDPSFHLSA-N 451.040 6.926 50 10 JKGE Cc1cc(Cl)c([C@@H](Br)c2ccc(Cl)c(I)c2)cc1Cl 2268270701 SWZDDBMLUPTVMJ-AWEZNQCLSA-N 490.393 7.044 50 10 JKGE COc1cccc(C[C@H](Br)c2ccc(Cl)c(I)c2)c1 2268323964 WNBDAABSQIYEQP-ZDUSSCGKSA-N 451.529 5.632 50 10 JKGE Cc1c(Br)ccc([C@H](Br)[C@H]2CCC[C@@H]2C(F)F)c1Br 2270152507 BTELGBWCIUOUGG-MWODSPESSA-N 460.982 6.637 50 10 JKGE Cc1sc(Br)c([C@@H](Br)c2cc(Br)c(F)cc2Cl)c1C 2270462102 YMCLIOTYCQIGPD-LBPRGKRZSA-N 491.445 7.167 50 10 JKGE Fc1cc(Br)c(F)c(Br)c1[C@H](Br)C[C@@H]1CCCC12CC2 2288488775 MGLHALHAQBRJND-DTWKUNHWSA-N 472.993 6.896 50 10 JKGE Fc1cc(Br)c(F)c(Br)c1[C@H](Cl)c1ccc(Cl)c(Cl)c1 2288496397 HCNQFHYMXCHBBK-GFCCVEGCSA-N 465.346 7.125 50 10 JKGE O=C(CSc1nnc(-c2ccc(Cl)cc2)n1C1CCCCC1)NN=CC=Cc1ccccc1 2293366964 GPDNJTGRIAEPCK-UHFFFAOYSA-N 480.037 6.011 50 10 JKGE Brc1cc2sc([C@H](Br)c3cc4c(s3)CCSC4)cc2s1 2295508019 ABHKXNKSMUULGK-CQSZACIVSA-N 466.310 7.060 50 10 JKGE CC(C)c1ccc(NC(=O)C(C#N)=Cc2ccccc2OCc2cccc(C(F)(F)F)c2)cc1 2295672308 MDLKQUOMMKLBLY-UHFFFAOYSA-N 464.487 6.953 50 10 JKGE COc1cc2c(cc1NC=C(C#N)c1nc(-c3ccc(CC(C)C)cc3)cs1)oc1ccccc12 2295937302 RFGBJXUUJHTXRF-UHFFFAOYSA-N 479.605 7.893 50 10 JKGE Cc1ccc(NC(=O)C(C#N)=C2S[C@H](Cc3ccc(F)cc3)C(=O)N2c2ccc(C)cc2)cc1 2296834785 AESZYBDQFLYYDR-XMMPIXPASA-N 471.557 5.508 50 10 JKGE CCCCOc1cccc(-c2nn(-c3ccccc3)cc2C=C(C#N)C(=O)N2CCCCC2)c1 2314475749 BLFRADFSVDNXFJ-UHFFFAOYSA-N 454.574 5.638 50 10 JKGE N#CC(=Cc1ccc(-c2cc(Cl)ccc2Cl)o1)C(=O)Nc1ccc(C(F)(F)F)c(Cl)c1 2314571839 MZUODKSAUODNGE-UHFFFAOYSA-N 485.676 7.471 50 10 JKGE Cc1ccc(N2C(=O)[C@@H](Cc3ccc(F)cc3)SC2=C(C#N)C(=O)N[C@@H](C)c2ccccc2)cc1C 2314594131 ZMHVFVKPVCFDSQ-RXFWQSSRSA-N 499.611 5.746 50 10 JKGE COc1ccc(C=CC(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@@H]3c2ccc(Cl)cc2Cl)cc1 2314634119 OAYQLNAATBSMHU-RUZDIDTESA-N 493.346 5.839 50 10 JKGE C=CCOc1ccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)C=Cc4ccccc4)ccc32)cc1 2314634680 XBTCGHHEBUVOGN-MHZLTWQESA-N 450.494 5.088 50 10 JKGE Cc1sc(NC(=O)C(C#N)=Cc2ccc(C(C)C)cc2)nc1-c1ccc(Br)cc1 2314793475 TWTRCTWEBIKUSS-UHFFFAOYSA-N 466.404 6.550 50 10 JKGE CC1([C@H](Br)c2c(Cl)cc(Br)c(F)c2Br)CCCC1 2315459622 XUCFOEQYRQVSFC-GFCCVEGCSA-N 463.410 7.020 50 10 JKGE C[C@H]1CC2CC([C@@H](Br)c3ccc(OCc4ccccc4)cc3Br)(C2)O1 2319526936 XKWBIYXQIIZUGH-PUVDAXMCSA-N 466.213 6.422 50 10 JKGE COc1ccc(C=NNC(=O)c2ccc3[nH]c4c(c3c2)CCCC4)cc1OCc1cccc(Cl)c1 2321672185 DCYDOLWDSMMQQA-UHFFFAOYSA-N 487.987 6.052 50 10 JKGE Cc1ccc(NC=C(C#N)C(=O)Nc2ccc(Cl)c(C(F)(F)F)c2)c(Br)c1 2325384937 AXRGKRRFEIHGJN-UHFFFAOYSA-N 458.665 5.888 50 10 JKGE CSCC[C@H](NC(=O)OC(C)(C)C)C(=O)NN=Cc1cccc(OCc2cccc(Cl)c2)c1 2328796490 GYDYAWOJFZHQEB-NRFANRHFSA-N 492.041 5.016 50 10 JKGE CCOC(=O)c1cnn(-c2cccc(Cl)c2)c1NC(=O)C(C#N)=Cc1cccc(Br)c1 2329699636 RICVWNVVJNUUCV-UHFFFAOYSA-N 499.752 5.011 50 10 JKGE CC(C)(C)c1ccc(C(=O)NCC(O)=C(C#N)c2nc(-c3ccc(-c4ccccc4)cc3)cs2)cc1 2331231566 CITVTSGFZMVLJD-UHFFFAOYSA-N 493.632 6.997 50 10 JKGE CCOC(=O)c1ccc(N2C[C@@H](C(O)=C(C#N)c3nc(-c4ccc(C)cc4C)cs3)CC2=O)cc1 2331310885 SFIWRZBXIUECKM-IBGZPJMESA-N 487.581 5.449 50 10 JKGE COc1ccc(-c2csc(C(C#N)=C(O)C=Cc3ccc(OC(C)=O)c(OC)c3)n2)cc1F 2331336933 KWCAEMXSDPXSNC-UHFFFAOYSA-N 466.490 5.398 50 10 JKGE C[C@@H](c1ccccc1)N1C[C@@H](C(O)=C(C#N)c2nc(-c3ccc(F)c(F)c3)cs2)CC1=O 2331351932 NDFQZIUEIQWBCE-YOEHRIQHSA-N 451.498 5.491 50 10 JKGE COc1cc(C)c(-c2csc(C(C#N)=C(O)c3ccc(OCC(C)C)cc3)n2)cc1C(C)C 2331356046 IEXZGJQKDYSQBI-UHFFFAOYSA-N 462.615 7.235 50 10 JKGE CCOc1ccc(-c2csc(C(C#N)=C(O)c3cccc(Oc4ccccc4)c3)n2)c(OCC)c1 2331389142 WVFZXZAWVSZDCD-UHFFFAOYSA-N 484.577 7.350 50 10 JKGE COc1cc(C(O)=C(C#N)c2nc(-c3cc(Cl)cc(C)c3OC)cs2)c([N+](=O)[O-])cc1OC 2331393773 PRSXWRLEUGHLHN-UHFFFAOYSA-N 487.921 5.656 50 10 JKGE CC[C@@H](C)N1C(=O)c2ccc(C(O)=C(C#N)c3nc(-c4ccc(OC)c(Cl)c4)cs3)cc2C1=O 2331398155 MYOLOKYOLVROEG-CYBMUJFWSA-N 493.972 5.816 50 10 JKGE COc1cc(C)c(-c2csc(C(C#N)=C(O)CCCOc3ccc(Cl)cc3Cl)n2)cc1C 2331402958 LTMGIFKYIBZUFD-UHFFFAOYSA-N 489.424 7.394 50 10 JKGE N#CC(=C(O)CN1C(=O)c2ccccc2C1=O)c1nc(-c2cc(Cl)ccc2Cl)cs1 2331403844 JKQQVMKBCRLMRL-UHFFFAOYSA-N 456.310 5.206 50 10 JKGE COc1c(Cl)cc(Cl)cc1-c1csc(C(C#N)=Cc2c(Cl)cccc2Cl)n1 2331467602 JSNHZNYPQSFYQO-UHFFFAOYSA-N 456.181 7.496 50 10 JKGE CCOc1ccc(OCC)c(-c2csc(C(C#N)=Cc3cccc(OCc4ccccc4)c3)n2)c1 2331470751 HSWXLGCTVLXKMA-UHFFFAOYSA-N 482.605 7.251 50 10 JKGE Fc1c(Br)cc(Cl)c([C@@H](Br)COCC(F)(F)F)c1Br 2337092342 OVNVIVJVKWVRHR-YFKPBYRVSA-N 493.314 6.019 50 10 JKGE CCCc1sc(Br)cc1[C@@H](Br)c1ccc(Br)c(Cl)c1 2338026932 SKSUAEDMQLHFQT-AWEZNQCLSA-N 487.482 7.363 50 10 JKGE O=C(CCc1cc(Cl)cc(Cl)c1)N[C@@H](CCBr)COCc1ccccc1 2343411901 KLSAMJXMADGGDF-IBGZPJMESA-N 459.211 5.413 50 10 JKGE Cc1cccc(CCl)c1OCc1ccc(I)c(Br)c1 2349802967 GZHQBSDRACZNJU-UHFFFAOYSA-N 451.529 5.680 50 10 JKGE Brc1cc(C[C@@H]2C[C@@H](Br)CC3(CCC3)C2)ccc1I 2349808262 LGVKYHDQESKRHI-CHWSQXEVSA-N 498.040 6.330 50 10 JKGE CN(Cc1ccc(I)c(Br)c1)C1(CCl)CCCCC1 2349826657 VAWJOKQIDHYVBZ-UHFFFAOYSA-N 456.593 5.427 50 10 JKGE C=CC[C@@]1(CBr)CCCN1Cc1ccc(I)c(Br)c1 2349831896 UPHAZTIAUCSAHG-HNNXBMFYSA-N 499.028 5.359 50 10 JKGE Cc1cc(Br)c(C(C)C)cc1[C@H](Br)c1nscc1Br 2352794506 VCCHLTQPQNDDDJ-ZDUSSCGKSA-N 468.052 6.584 50 10 JKGE CCc1cc(Br)c(OC)c([C@@H](Br)c2cscc2Br)c1 2353039542 IPPMLEFCDHOTMN-CYBMUJFWSA-N 469.036 6.328 50 10 JKGE Cc1cc(Br)c([C@@H](Br)[C@@H]2C[C@H]2C2CCCC2)c(C)c1Br 2358673390 KWQOFUABVCMONL-AHIWAGSCSA-N 465.067 7.091 50 10 JKGE CS(=O)(=O)[C@H]1C[C@H]([C@H](Br)c2c(F)cc(Cl)c(Br)c2Cl)C1 2360416635 AIZXTYXJHOAZOY-VGIXGZPDSA-N 468.997 5.154 50 10 JKGE Clc1ccc(CN2[C@H](CBr)C[C@@H]3CCCC[C@@H]32)cc1I 2362376760 YDUKGAZTEFZJDW-XEZPLFJOSA-N 468.604 5.473 50 10 JKGE CCCc1sc(Br)cc1[C@H](Br)c1cc(F)c(Br)cc1F 2363256751 SLISXYNBNIPKOE-CQSZACIVSA-N 489.017 6.988 50 10 JKGE Cc1cc(Br)c(F)c(Br)c1[C@@H](Br)[C@@]12CCC[C@@H](C1)OC2 2365188031 HEIVUZYMGXEBGD-AMFBXLIHSA-N 471.002 6.054 50 10 JKGE Cc1cc(Br)c(F)c(Br)c1[C@@H](Br)C1CC2(CC(F)C2)C1 2365198083 YGBSWCXETTUSTQ-YRRKODSGSA-N 472.993 6.623 50 10 JKGE O=C(c1ccc(Cl)cc1I)N1CCCC[C@H]1CCCBr 2365593844 WWRRLBOIBUSXLO-LBPRGKRZSA-N 470.576 5.114 50 10 JKGE CC(C)C[C@H](CBr)CN(C1CC1)[C@@H](CCNC(=O)OC(C)(C)C)C(F)(F)F 2382184915 RNCHCVMHULVTQN-ZBFHGGJFSA-N 459.391 5.354 50 10 JKGE CC(C)(C)c1cc(C=NNC(=O)Cn2c(C(F)(F)F)nc3ccccc32)cc(C(C)(C)C)c1O 3433041 RGVSHFJVUADYAI-UHFFFAOYSA-N 474.527 5.506 50 10 JKGE CCCCCCOc1ccc(C(=O)NNC(=S)NC(=O)/C=C/c2cccc3ccccc23)cc1 14025596 REAXNXUDQYLGLZ-OBGWFSINSA-N 475.614 5.148 50 10 JKGE Cc1cc(C)c(N/C(SCc2ccccc2F)=C(/C#N)S(=O)(=O)c2ccccc2)c(C)c1 20325718 MKJFRKUVVORHRE-WJTDDFOZSA-N 466.603 6.263 50 10 JKGE COc1cc([N+](=O)[O-])ccc1NC(=O)/C(C#N)=C\c1cccc(OCc2ccccc2Cl)c1 33532359 ASOGOZRYLHIBML-WQRHYEAKSA-N 463.877 5.381 50 10 JKGE N#C/C(=C\c1ccc(-n2nc(-c3ccccc3)cc2-c2ccccc2)cc1)c1ccc(Cl)cc1Cl 33568605 ZOVPDOKQEXEZHP-JJIBRWJFSA-N 492.409 8.577 50 10 JKGE CCCOc1ccccc1C(=O)Oc1ccc2c(c1)OC(N)=C(C#N)[C@@H]2c1ccccc1Cl 38651095 PRXYMGAAFMGMAX-XMMPIXPASA-N 460.917 5.566 50 10 JKGE CCCCOc1cccc(C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@@H]3c2cccc3ccccc23)c1 38657889 GQPUWQQVNQSCAQ-GDLZYMKVSA-N 490.559 6.456 50 10 JKGE CCCCCOc1ccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4ccc(OC)cc4)ccc32)cc1 38685280 NEDKMXREEBHFLI-MHZLTWQESA-N 484.552 5.702 50 10 JKGE CCCCCOc1ccccc1[C@@H]1C(C#N)=C(N)Oc2cc(OC(=O)Cc3ccccc3)ccc21 38686225 HYYAWXNTZPNNQL-NDEPHWFRSA-N 468.553 5.622 50 10 JKGE N#C/C(=C/c1c(Oc2ccc(F)cc2)nc2ccccn2c1=O)C(=O)Nc1cccc(Cl)c1Cl 39858693 KZLYGFDXUKFHIE-OWBHPGMISA-N 495.297 5.478 50 10 JKGE Cc1ccccc1NC(=O)c1oc2c(c1C)/C(=N/NC(=O)c1ccc3ccccc3n1)CCC2 40825874 JJTWRTNAMWDMRC-MWAVMZGNSA-N 452.514 5.167 50 10 JKGE O=C(Cc1ccc(Cl)cc1)N/N=C/c1ccc(OC(=O)c2cccc(Br)c2)cc1 48572507 UTPLCXYUMXAKCJ-AFUMVMLFSA-N 471.738 5.015 50 10 JKGE COc1cc(/C=C2/C(=O)N(Cc3ccccc3)C(=O)C(C#N)=C2C)ccc1OCc1ccccc1 101335115 PPTOSEBGVFDVIL-BUVRLJJBSA-N 464.521 5.067 50 10 JKGE COc1ccc(Br)cc1[C@H](Br)c1cc(Br)ccc1F 104045000 WVAKPTJJHHIWPY-CQSZACIVSA-N 452.943 5.844 50 10 JKGE COc1ccc(Br)cc1[C@@H](Br)c1ccc(F)cc1Br 109834822 WQZZTSYQLXUIAS-AWEZNQCLSA-N 452.943 5.844 50 10 JKGE FC(F)(F)c1ccccc1[C@@H](Br)c1cc(Br)ccc1Br 109844886 BNEIKLKTTHWCFJ-CYBMUJFWSA-N 472.924 6.715 50 10 JKGE Cc1nn(C)c(CC(CBr)(CBr)c2ccccc2Br)c1Cl 118879032 QAJMEJNMVUDQIX-UHFFFAOYSA-N 499.472 5.415 50 10 JKGE Fc1ccc(-n2c(CCl)nc3ccc(Br)cc32)c(I)c1 128059313 MGDVZTSFCRSLNG-UHFFFAOYSA-N 465.491 5.271 50 10 JKGE CCCCNC(=O)/C(C#N)=C/c1ccc(OC(=O)/C=C\c2ccc(OCCC(C)C)c(OC)c2)cc1 207154519 XMKUUSSGBNXERV-ZORZTLFYSA-N 490.600 5.562 50 10 JKGE CCCCN1C(=O)C(C#N)=C(C)/C(=C/c2cn(-c3ccccc3)nc2-c2ccc(C)c(F)c2)C1=O 214226346 XZVSTKJAVBWBPS-UCQKPKSFSA-N 468.532 5.379 50 10 JKGE CC[C@H](C)c1ccccc1N/C=C(/C#N)C(=O)Nc1ccc(I)cc1C 217254315 CDUMEYXACFTOPU-DSDLTIFZSA-N 459.331 5.571 50 10 JKGE CCOc1ccc([C@@H](Cl)c2ccc(I)cc2)cc1Br 228990653 JIMJHRCBSWEORW-HNNXBMFYSA-N 451.529 5.781 50 10 JKGE COc1ccc(Cl)cc1[C@H](Br)c1ccc(Br)cc1Br 234879806 RJLFYFFJZRNLNF-CQSZACIVSA-N 469.398 6.358 50 10 JKGE COc1c(C)cc([C@@H](Cl)c2cc(I)ccc2Br)cc1C 234921417 KXKCJHFVCPMIDJ-OAHLLOKOSA-N 465.556 6.007 50 10 JKGE Clc1ccc([C@H](Br)Cc2ccc(Br)cc2)cc1Br 236065618 MONDQJKAPYYLOZ-GFCCVEGCSA-N 453.399 6.544 50 10 JKGE Cc1cccc(C(O)(C(=O)NN=Cc2cc3ccccc3nc2N2CCCCC2)c2cccc(C)c2)c1 252635550 WYGJNBGDZLUSEY-UHFFFAOYSA-N 492.623 5.228 50 10 JKGE O=C(CCCSc1ccccn1)N/N=C(\Cc1ccccc1)c1ccc(-c2ccccc2)cc1 253567470 KCAZYLFPCCCJHI-TVKQRKNISA-N 465.622 6.384 50 10 JKGE COc1ccccc1C(=O)Nc1c(C(=O)NN=Cc2ccc(C)cc2)sc2nc(C)cc(C)c12 254703560 XHKIPICJMBQNML-UHFFFAOYSA-N 472.570 5.246 50 10 JKGE CCOc1cc(C=NNC(=O)Cc2cccc3ccccc23)ccc1OC(=O)c1ccc(OC)cc1 254713116 AUIVOVSXTIBMRG-UHFFFAOYSA-N 482.536 5.159 50 10 JKGE COc1cc(C=NNC(=O)COc2ccc(Cl)cc2C)ccc1OCc1ccc(Cl)cc1 256017334 GMJNQKNOAAFDEC-UHFFFAOYSA-N 473.356 5.419 50 10 JKGE C[C@@H]1C[C@H](O[C@@]2(CI)CCCN(C(=O)OC(C)(C)C)C2)CC(C)(C)C1 310598120 VRQZUYHLTZWEDW-GQIGUUNPSA-N 465.416 5.423 50 10 JKGE Cn1ncc([C@H](Br)c2ccc(Br)c3ccccc23)c1Br 379140937 ARPNDVPFCCDOBO-CQSZACIVSA-N 458.979 5.583 50 10 JKGE O=C(OCc1ccccc1)N1C[C@@H](CI)[C@H](c2ccc(CCl)cc2)C1 382705753 FJJOGSZMKMZSSM-MOPGFXCFSA-N 469.750 5.213 50 10 JKGE Fc1ccc(Cl)c([C@@H](Br)c2cc(Br)c(Br)s2)c1 383652612 JQDVVWRSODUNPK-SNVBAGLBSA-N 463.391 6.550 50 10 JKGE C[C@@H](Cl)c1nc2cc(F)c(Br)cc2n1C[C@@H]1CCCN1Cc1ccccc1 390553269 ZCYDIDDFYNEHLV-ZBFHGGJFSA-N 450.783 5.902 50 10 JKGE Clc1ccc(Br)cc1[C@H](Cl)c1cc(Cl)c(Cl)c(Cl)c1Cl 404880458 RKYOORITEOVUMI-JTQLQIEISA-N 453.805 8.044 50 10 JKGE CC(C)(C)[Si](C)(C)OCc1ccccc1[C@@H]1COCCCN1S(=O)(=O)c1ccccc1 616647236 CNQPSVNPBOOIGB-QHCPKHFHSA-N 461.700 5.361 50 10 JKGE CC1(C)C[C@@H](Br)C[C@H](NC(=O)c2cc(Cl)ccc2I)C1 693900065 XXEIDBPXJMCEBS-ONGXEEELSA-N 470.576 5.017 50 10 JKGE C[C@H](CBr)[C@H]1CCCCN1C(=O)c1cc(Br)ccc1Br 696707613 BQUSOXNATVOATN-QMTHXVAHSA-N 468.027 5.237 50 10 JKGE Clc1cncc(COc2c(Br)cc(Br)cc2CBr)c1 703705167 YYENAIYQSZWRKM-UHFFFAOYSA-N 470.386 5.734 50 10 JKGE Cc1ccc(C)c(C[C@H](Br)c2scc(Br)c2Br)c1 705505431 OPOKARGZFWWAJW-NSHDSACASA-N 453.037 6.569 50 10 JKGE C[C@@H](Cl)c1nc2cncc(Cl)c2n1CC1(N(Cc2ccccc2)Cc2ccccc2)COC1 705612843 WVMQMQBOAIXEMU-LJQANCHMSA-N 481.427 5.856 50 10 JKGE O=C(N[C@H](CCBr)C1CCCCC1)c1cc(Br)sc1Br 725038779 ZAVJFRDVBKFENR-LLVKDONJSA-N 488.083 5.737 50 10 JKGE C[C@H](SCc1ccccc1)C(=O)NN=C1C(=O)N(Cc2cccc3ccccc23)c2ccccc21 1083944087 XYORGCOYLUPYIY-FQEVSTJZSA-N 479.605 5.529 50 10 JKGE Cc1ccc(-n2c(C)c(Br)c(C=NNC(=O)CSCc3ccccc3)c2C)cc1C 1084114626 RIGFQRDDPFIOTC-UHFFFAOYSA-N 484.463 5.857 50 10 JKGE Cc1ccc(CSCC(=O)NN=Cc2cc(C)n(-c3ccc(Br)cc3)c2C)cc1 1084487948 CXZKXNUNFWVVDG-UHFFFAOYSA-N 470.436 5.549 50 10 JKGE COc1cc(/C=C(/C#N)C(=O)Nc2cc(Cl)ccc2C)cc(Br)c1OC(C)C 1084494925 IZXATDKZJVHLAV-CHHVJCJISA-N 463.759 5.752 50 10 JKGE O=C(CSCc1cccc(Br)c1)NN=Cc1cccc(Oc2ccccc2)c1 1084522513 JWNRWWPSDSNFCO-UHFFFAOYSA-N 455.377 5.625 50 10 JKGE COc1cccc(/C=C(/C#N)C(=O)Nc2cccc3ccccc23)c1OCc1ccccc1Cl 1084592646 FUPDMINXVAIAPC-JWGURIENSA-N 468.940 6.626 50 10 JKGE CC(C)(C)c1ccc([C@H]2C(C#N)=C(N)Oc3c2c(-c2ccccc2)nn3-c2cccc(Cl)c2)cc1 1865682128 GTIYBRUPUCSKIO-DEOSSOPVSA-N 480.999 6.708 50 10 JKGE COc1ccc(-c2nn(-c3ccc(Cl)cc3)c3c2[C@@H](c2ccc(Cl)cc2)C(C#N)=C(N)O3)cc1 1865683905 QBUABWNFBVKQAA-QFIPXVFZSA-N 489.362 6.073 50 10 JKGE N#CC1=C(N)Oc2c(c(-c3ccccc3)nn2-c2ccccn2)[C@@H]1c1ccc(Cl)cc1Cl 1865685360 HLOZJCCXELPWMW-HXUWFJFHSA-N 460.324 5.459 50 10 JKGE CCCc1nn(-c2ccccc2Cl)c2c1[C@H](c1ccc(OCc3ccccc3)cc1)C(C#N)=C(N)O2 1865690446 RRFJKUHTZVNZAC-AREMUKBSSA-N 496.998 6.275 50 10 JKGE CCCOc1ccc([C@@H]2C(C#N)=C(N)Oc3c2c(-c2ccc(OC)cc2)nn3-c2ccc(C)cc2)cc1 1865694710 ZSRYKCCLAUUFCP-AREMUKBSSA-N 492.579 5.863 50 10 JKGE CCCc1nn(-c2ccc(Cl)cc2)c2c1[C@@H](c1cc(Br)ccc1O)C(C#N)=C(N)O2 1865695291 BGQGDGCPTIKNAQ-IBGZPJMESA-N 485.769 5.164 50 10 JKGE COc1ccccc1[C@H]1C(C#N)=C(N)Oc2c1c(C(F)(F)F)nn2-c1cccc2ccccc12 1865709894 JMWLOYQUCHEHRM-FQEVSTJZSA-N 462.431 5.271 50 10 JKGE Cc1ccc(-c2nc(Nc3ccc(SC#N)cc3)cc(N3CCC[C@H](Oc4ccccc4)C3)n2)cc1 1868320578 LDDJYXRNBZVSJT-VWLOTQADSA-N 493.636 6.817 50 10 JKGE N#C/C(=C(/O)c1ccccc1I)c1nc(-c2ccc(Cl)cc2Cl)cs1 1872744914 OMDXZFBSEGEBGV-LGMDPLHJSA-N 499.160 6.671 50 10 JKGE N#C/C(=C(/O)c1c(Cl)ccc(Cl)c1Cl)c1nc(-c2ccc3c(c2)CCCC3)cs1 1872745172 CSWARFQJLNKVAA-QNGOZBTKSA-N 461.801 7.599 50 10 JKGE COc1ccc(C(C)(C)C)cc1-c1csc(/C(C#N)=C(\O)Cc2ccc(Cl)c(Cl)c2)n1 1872751857 XIWLWXKJAZIMKM-FXBPSFAMSA-N 473.425 7.458 50 10 JKGE CCc1ccc(-c2csc(/C(C#N)=C/c3ccc(OCCc4ccccc4)c(OC)c3)n2)cc1 1872781423 FUMKQKBPIUYVPE-KOEQRZSOSA-N 466.606 7.067 50 10 JKGE CCCCCCOc1ccc(/C=C(\C#N)c2nc(-c3ccc(OCC)cc3)cs2)cc1OC 1872790519 OGHIEARALBQBLR-CJLVFECKSA-N 462.615 7.241 50 10 JKGE CCCCCOc1ccc(/C=C(\C#N)c2nc(-c3ccc(OC)cc3OC)cs2)cc1OC 1872793769 RUZIEZGBMFAAHM-CPNJWEJPSA-N 464.587 6.469 50 10 JKGE CCCOc1ccc(-c2csc(/C(C#N)=C(\O)c3ccccc3Br)n2)cc1OCCC 1872817946 FARIUZSJNVNLJJ-NKFKGCMQSA-N 499.430 7.100 50 10 JKGE COc1ccc(OC)c(-c2csc(/C(C#N)=C(\O)[C@H](C)Oc3ccc(Cl)cc3Cl)n2)c1 1873920312 CLKOSYWLWOSBBY-SOFNNGJSSA-N 477.369 6.394 50 10 JKGE COc1ccc(OC)c(-c2csc(/C(C#N)=C(O)/C(=C\c3ccccc3)c3ccccc3)n2)c1 1873921055 RTPZPZDKQHUTDH-YTFPPIDOSA-N 466.562 6.861 50 10 JKGE FC1(F)CC[C@@H](Cc2cc(Cl)ccc2I)[C@H](Br)CC1 1881844574 NSOSLSCQXFVBGD-JOYOIKCWSA-N 463.531 6.076 50 10 JKGE Cc1nsc(Br)c1[C@@H](Br)c1c(Br)cc(F)c(F)c1F 1912931687 KJVVPBULKSZOSO-MRVPVSSYSA-N 479.941 5.878 50 10 JKGE Cc1nsc(Br)c1[C@@H](Br)c1cc(Cl)c(Br)cc1F 1912975652 CZUGWOPPGXRBSM-JTQLQIEISA-N 478.406 6.253 50 10 JKGE Fc1cccc(F)c1[C@H](Br)c1c(Br)sc(Br)c1Cl 1923041167 ZFDYSRXZJIUUHK-QMMMGPOBSA-N 481.381 6.689 50 10 JKGE CCn1ncc(Br)c1[C@H](Br)c1c(Cl)sc(Cl)c1Cl 1925547238 DZNOXNBMZCYMNS-ZCFIWIBFSA-N 453.414 6.172 50 10 JKGE Clc1ccc([C@H](Cl)c2c(Cl)sc(Br)c2Cl)c(Br)c1 1925589850 VPEVAURLQDEJIZ-QMMMGPOBSA-N 469.840 7.562 50 10 JKGE Cl[C@H](c1cc(I)sn1)c1cc(Br)ccc1Br 1983286462 QESQDTGWMNLZRI-JTQLQIEISA-N 493.389 5.601 50 10 JKGE C[C@]1(F)C[C@H]([C@@H](Cl)c2c(Br)sc(Br)c2Br)C1 1992296895 AGYGINSFNONNJB-XMRAEQSQSA-N 455.412 6.454 50 10 JKGE CC(C)[C@@H](CBr)N(Cc1ccccc1)C(=O)c1ccc(O)c(Br)c1 2003592074 UPEOBEORFSFGKW-QGZVFWFLSA-N 455.190 5.217 50 10 JKGE Cl[C@@H](c1c(Br)sc(Br)c1Br)[C@H]1C2C[C@@H]3C1[C@@H]3C2 2016551805 HSJFDZLTBDVFQB-ZCSOTEBESA-N 461.444 6.218 50 10 JKGE C[C@@H]1OCC[C@H]1C[C@H](Br)c1c(Br)sc(Br)c1Cl 2019622032 GSNKQHSENOAACH-ACZMJKKPSA-N 467.448 6.178 50 10 JKGE Cc1sc(Br)c([C@@H](Br)c2ccc(OCc3ccccc3)cc2)c1C 2024028449 MAHOSBASTQMSEU-IBGZPJMESA-N 466.238 7.191 50 10 JKGE C[C@H]1CN(c2c(CBr)ccc(Br)c2Cl)[C@@H](C)CN1Cc1ccccc1 2036841576 CZAWZAILQQJGQC-GJZGRUSLSA-N 486.679 6.097 50 10 JKGE Cc1c(Br)ccc([C@H](Cl)c2ccccc2OCc2ccccc2)c1Br 2083330162 LQRZBFHFCHKIRC-OAQYLSRUSA-N 480.627 7.427 50 10 JKGE CCN(C[C@](C)(CI)O[C@H]1CCCC(F)(F)CC1)C(=O)OC(C)(C)C 2085964446 VZRAMIZGCKMYCF-YOEHRIQHSA-N 475.358 5.422 50 10 JKGE C[C@@H]1CCCN(Cc2cccc(Br)c2Br)[C@H]1CCBr 2092327958 HHQXUAMXMUXBPN-RISCZKNCSA-N 454.044 5.597 50 10 JKGE CC1(C)C[C@H](Br)C[C@@H](NC(=O)c2csc(Br)c2Br)C1 2093944264 HJSVJDLCTGKWHE-HTQZYQBOSA-N 474.056 5.345 50 10 JKGE Cc1cc(Br)c([C@@H](Br)C23CCC(F)(CC2)C3)cc1Br 2101278521 UPOKJIJVWJUBEP-WLYUNCDWSA-N 455.003 6.628 50 10 JKGE Clc1c(Br)cccc1C[C@H](CBr)c1ccc(Br)cc1 2110526799 TUQYCZBFQORRPV-GFCCVEGCSA-N 467.426 6.586 50 10 JKGE Cc1c(Cl)cc([C@H](Br)Cc2ccc(Br)cc2)cc1Br 2111087525 VEBKGEJTVBXUNA-CQSZACIVSA-N 467.426 6.852 50 10 JKGE C[C@@H]1[C@@H](C)N(Cc2ccccc2)[C@H](C)CN1c1cc(Br)cc(F)c1CBr 2114264513 OSSOGDQLVLKDBP-BZUAXINKSA-N 484.251 5.971 50 10 JKGE Cn1ncc2cc([C@H](Cl)c3c(Br)sc(Br)c3Cl)sc21 2118612086 ULXXFLNHRHNKJQ-ZETCQYMHSA-N 461.031 6.203 50 10 JKGE CC1(CC(CBr)(CBr)c2ccc(Br)cc2)CCCCC1 2143854705 AINFYDUIELCTDN-UHFFFAOYSA-N 467.083 6.837 50 10 JKGE BrCc1cc(Br)ccc1N1C[C@@]23CCC[C@@]2(CN(Cc2ccccc2)C3)C1 2153341637 SCVUOTKAWAXXNZ-ZRZAMGCNSA-N 490.283 5.837 50 10 JKGE Cc1cc(Br)c([C@H](Br)C2CC3(C2)CC(F)(F)C3)cc1Br 2158844998 LEFCLSDGLBHXOI-CYBMUJFWSA-N 472.993 6.782 50 10 JKGE ClCc1nc2cc(Br)c(Cl)cc2n1-c1ccccc1OCc1ccccc1 2159872011 PLZVWGVETPWHHD-UHFFFAOYSA-N 462.174 6.759 50 10 JKGE C[C@]1(C(F)(F)F)C[C@@H]1[C@@H](Br)c1cc(I)cc2c1OCC2 2161821788 JZZRFJMLQUXVBO-MDZLAQPJSA-N 461.059 5.251 50 10 JKGE CCCC(CBr)(CCC)CN=[S@@](C)(=O)[C@H]1CCCN(C(=O)OC(C)(C)C)C1 2163058778 NRIYMVMJUPZUCJ-SOKVYYICSA-N 467.514 5.465 50 10 JKGE C[C@H](Cl)c1nc2ncccc2n1-c1ccc(Br)c(I)c1 2175996212 ABOVZOXPFQWKGX-QMMMGPOBSA-N 462.516 5.087 50 10 JKGE C[C@@H](c1cccs1)N(Cc1ccccc1)S(=O)(=O)c1cc(CBr)ccc1F 2179786422 AGUHGCNNAXMYAC-HNNXBMFYSA-N 468.413 5.734 50 10 JKGE CCn1cc(Br)c(COc2c(Br)cc(Br)cc2CCl)n1 2181152069 USQLKTMNPHQANG-UHFFFAOYSA-N 487.417 5.508 50 10 JKGE COc1cc(C)c([C@@H](Br)c2ccc(Br)c(Cl)c2)cc1Br 2198737701 RXEUVJNIBNTPSG-HNNXBMFYSA-N 483.425 6.666 50 10 JKGE Cc1cc(Br)cc([C@@H](Cl)c2c(C)c(Br)cc(C)c2Br)c1 2201077682 LCMVTYBXTHUDDF-MRXNPFEDSA-N 481.453 7.228 50 10 JKGE Fc1cc(Br)c([C@H](Br)c2cscc2C(F)F)c(F)c1Cl 2201609834 BBRSRFHGTIDBQX-SECBINFHSA-N 452.492 6.864 50 10 JKGE COc1cc(F)c([C@H](Br)c2ccc(Br)c(C)c2)cc1Br 2202903867 KBJXKJXYHSVPTQ-OAHLLOKOSA-N 466.970 6.152 50 10 JKGE FC1(F)CCC[C@H](O[C@@H](CI)c2cccc(Br)c2)CC1 2207036872 FOQCIXLLWGWOCX-KBPBESRZSA-N 459.112 5.910 50 10 JKGE CCOc1ccc(C)cc1[C@H](Cl)c1ccc(Br)cc1I 2207271471 INWQLEVNLKHGBC-MRXNPFEDSA-N 465.556 6.089 50 10 JKGE Cc1sc([C@H](Br)c2cc(Br)cc3c2OCC3)cc1Br 2226081512 DTIKSUBBXYELRI-CYBMUJFWSA-N 467.020 6.001 50 10 JKGE CCOC1CC([C@H](Br)c2c(Br)cc(C)c(Br)c2C)C1 2227362081 KENOHBXSHOVXIO-NWHVRFAMSA-N 455.028 6.080 50 10 JKGE Fc1cc(F)c([C@@H](Br)c2ccccc2Br)c(F)c1Br 2227808507 MTAQFGOUIRPRJI-NSHDSACASA-N 458.897 6.113 50 10 JKGE Cc1ccc(I)c([C@@H](Br)Cc2cccc(Cl)c2F)c1 2232183296 LDDJWNCVKPHYLS-LBPRGKRZSA-N 453.520 6.071 50 10 JKGE COc1cccc([C@@H](Br)c2cc(Br)c(Br)s2)c1Cl 2256320258 BPQJIKUNZSFVKD-SNVBAGLBSA-N 475.427 6.419 50 10 JKGE Brc1cc(Br)cc(C[C@@H](Br)CC(C2CC2)C2CC2)c1 2277958449 FYKKQSVAHJSLDK-OAHLLOKOSA-N 451.040 6.344 50 10 JKGE COc1ccc([C@H](Br)Cc2ccccc2Br)c(Br)c1Cl 2283564036 VLZBCIZSZPTQQL-GFCCVEGCSA-N 483.425 6.552 50 10 JKGE BrCC(CBr)(CCc1ccccc1)Cc1sccc1Br 2286718112 KCHFZLXFOUUJRU-UHFFFAOYSA-N 481.091 6.462 50 10 JKGE CCOC(=O)C(C#N)=Cc1cc(Cl)c(OCCOc2ccc([C@H](C)CC)cc2)c(OC)c1 2293519286 YADKEAYJJRITAU-QGZVFWFLSA-N 457.954 5.790 50 10 JKGE O=C(Cl)C=Cc1cc(Cl)c(OCc2ccc(Cl)c(Cl)c2)c(Br)c1 2293941148 LLSVRYUZYZLQCU-UHFFFAOYSA-N 454.962 6.767 50 10 JKGE Cn1nc([C@@H](Br)c2ccc(OCc3ccccc3)cc2Br)cc1Cl 2299510352 QOBYJMJHDUGRDY-SFHVURJKSA-N 470.592 5.899 50 10 JKGE COc1cc(C=C(C#N)C(=O)Nc2sc3c(c2C#N)CCCC3)ccc1OCc1ccccc1F 2313630241 AXVHJZMZFHGBKV-UHFFFAOYSA-N 487.556 5.771 50 10 JKGE COC(=O)c1cccc(Cn2cc(C=C(C#N)C(=O)Nc3cccc(Cl)c3C)c3ccccc32)c1 2313675561 BRFQWECTUCZNLU-UHFFFAOYSA-N 483.955 5.984 50 10 JKGE CC1(C)CCC[C@H]([C@H](Br)c2ccc(OCc3ccccc3)cc2Br)O1 2314443560 KICXSEWWAHQCID-WOJBJXKFSA-N 468.229 6.812 50 10 JKGE N#CC1=C(N)Oc2cc(OC(=O)C=Cc3ccc(Cl)cc3Cl)ccc2[C@H]1c1ccco1 2314634555 IAYWPSCXWNZXEU-JOCHJYFZSA-N 453.281 5.423 50 10 JKGE CCCCNC(=O)c1cc2ccc(OC(=O)C(C#N)=Cc3ccc(OCCCC)cc3)cc2oc1=O 2314738981 RFOAXEUNUXUPOP-UHFFFAOYSA-N 488.540 5.014 50 10 JKGE CC(C)C1([C@H](Br)c2c(Cl)cc(Br)c(F)c2Br)CC1 2315440119 OPWFWSYWZFDEJM-GFCCVEGCSA-N 463.410 6.876 50 10 JKGE Fc1c(Br)cc(Cl)c([C@@H](Br)[C@@H]2CC[C@@H]3C[C@@H]32)c1Br 2315441306 FXKQCHFQNMXTIA-MNRJBDMISA-N 461.394 6.486 50 10 JKGE Cc1ccc([C@H](Br)c2c(Cl)cc(Br)c(F)c2Br)o1 2315449524 QETAQAXGWZDDAQ-JTQLQIEISA-N 461.350 6.390 50 10 JKGE Clc1cc(I)c([C@@H](Br)[C@@H]2CC3(CCCC3)CO2)s1 2316601316 RAWRRLYZMNFFFQ-ONGXEEELSA-N 461.590 5.791 50 10 JKGE CC[C@]1(C)[C@H](Br)CCN1Cc1ccc(I)c(Br)c1 2325214231 NRVYWJDIEABQGN-ZIAGYGMSSA-N 487.017 5.192 50 10 JKGE CC[C@H]1CN(C[C@H](CBr)CC(C)C)[C@H](CC)CN1C(=O)OCc1ccccc1 2328522371 HRWPTTHFYIMRMP-BDTNDASRSA-N 453.465 5.555 50 10 JKGE CCn1c(C(C#N)=Cc2ccc(OCC(=O)Nc3ccc(C)cc3C)c(OC)c2)nc2ccccc21 2331071670 CZSRYDZZOSZLTN-UHFFFAOYSA-N 480.568 5.763 50 10 JKGE COc1ccc(-c2csc(C(C#N)=C(O)CCCOc3cc(C)c(Cl)c(C)c3)n2)cc1C 2331259953 YUBJOMMPPPHOBZ-UHFFFAOYSA-N 469.006 7.049 50 10 JKGE CCCOc1ccc(-c2csc(C(C#N)=C(O)Cc3ccc(OCC)cc3)n2)cc1OCCC 2331293300 TWRFYYMASLPSBH-UHFFFAOYSA-N 478.614 6.822 50 10 JKGE Cc1cc([C@@H](Cl)c2ccc(Cl)cc2I)c(C)cc1Br 2340060408 CBPNELQDYQWQSD-HNNXBMFYSA-N 469.975 6.652 50 10 JKGE Cc1ccc([C@H](Cl)c2ccc(Cl)cc2I)c(C)c1Br 2340063848 BSMWKOAQKRULED-HNNXBMFYSA-N 469.975 6.652 50 10 JKGE ClC[C@@H](Cc1ccc(Cl)cc1I)c1cccc(Br)c1 2341053673 YXDAYEOTFBGVJB-GFCCVEGCSA-N 469.975 6.272 50 10 JKGE ClCc1ccc(Br)cc1OCc1cc(I)ccc1Cl 2352350540 MFMFJZKSDQRKPB-UHFFFAOYSA-N 471.947 6.025 50 10 JKGE Brc1ccc(OCc2ccccc2)c([C@@H](Br)[C@@H]2COc3ccccc3O2)c1 2361203219 FDUFYNDCTUOKLN-FCHUYYIVSA-N 490.191 6.304 50 10 JKGE Fc1cc(F)c([C@H](Br)c2cc(Br)c(Br)cc2F)cc1F 2361242323 LTVQHTHCGKVHMN-CYBMUJFWSA-N 476.887 6.252 50 10 JKGE Clc1cccc([C@@H](CBr)OCc2cc(Br)cc(Br)c2)c1 2362235823 AJCQJAPEBRKOSB-OAHLLOKOSA-N 483.425 6.518 50 10 JKGE Clc1ccc(C[C@@H]2CCc3ccccc3[C@H]2Br)cc1I 2362434272 ZHWSKJQAVRCQBH-GUYCJALGSA-N 461.568 6.186 50 10 JKGE CCCc1sc(Br)cc1[C@@H](Br)c1ccc(Br)c(OC)c1 2363278083 YCGVDIGZYCHKKN-HNNXBMFYSA-N 483.063 6.719 50 10 JKGE BrC[C@]1(Cc2cccc(Br)c2Br)C[C@H]2C=C[C@H]1CCC2 2363969402 CKMFBRJIXYETQN-SUYBPPKGSA-N 463.051 6.512 50 10 JKGE CC1(C)CCC[C@]12[C@H](Cl)C[C@H]2Oc1cc(Br)cc(I)c1 2364267040 FTVWYXCHBANVCB-IIAWOOMASA-N 469.588 6.009 50 10 JKGE Cc1cc(Br)c(F)c(Br)c1[C@@H](Cl)c1c(Cl)cccc1Cl 2365187844 FCLQGMZZCJYHNP-CYBMUJFWSA-N 461.383 7.294 50 10 JKGE COc1c(Br)cc(C)c([C@H](Br)[C@H]2C[C@H]2C(C)(C)C)c1Br 2365188046 HKDDNMSULUHNDC-OPQQBVKSSA-N 469.055 6.647 50 10 JKGE CC(C)CO[C@@H]1[C@@H](Br)C[C@@H]1OCc1ccc(Cl)cc1I 2365636331 REHPFAMXHBAUAJ-AEGPPILISA-N 473.576 5.038 50 10 JKGE CCc1cc(CCl)cc(OCc2cc(I)ccc2Br)n1 2367270978 JYCRMRISDPFLMI-UHFFFAOYSA-N 466.544 5.329 50 10 JKGE N#C/C(C(=O)Nc1ccc(F)cc1)=C1\S[C@H](Cc2ccc(F)cc2)C(=O)N1c1ccccc1 13563440 UFRNXXFOKVJCJV-FNBPXTNNSA-N 461.493 5.030 50 10 JKGE CCCCCCOc1ccc(C(=O)NNC(=O)c2ccc(NC(=O)C3CCCCC3)cc2)cc1 14028418 MBGXWZPISKVDKD-UHFFFAOYSA-N 465.594 5.239 50 10 JKGE N#C/C(=C\c1ccc(-c2ccc([N+](=O)[O-])cc2Cl)o1)C(=O)Nc1ccc(Cl)c(C(F)(F)F)c1 35518961 FRROHLVWJCOJPI-YRNVUSSQSA-N 496.228 6.726 50 10 JKGE CN(C)c1ccc(N2C(=O)CS[C@H]2c2cccc(NC(=O)[C@H](Cl)c3ccccc3)c2)cc1 35928526 FKAYDFALVBAYLT-NOZRDPDXSA-N 466.006 5.450 50 10 JKGE CCOc1ccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)Cc4ccc(Cl)cc4)ccc32)cc1OC 38659674 ZBSOTCSESKWIGQ-SANMLTNESA-N 490.943 5.114 50 10 JKGE CCCOc1cccc(C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@H]3c2ccc(CC)cc2)c1 38677459 LRGLMNDKEGZMGO-SANMLTNESA-N 454.526 5.475 50 10 JKGE Cc1cc(OCC(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@H]3c2c(F)cccc2Cl)ccc1Cl 38680493 PDTSRGZTLDBDQP-QHCPKHFHSA-N 499.325 5.644 50 10 JKGE CCCCOc1ccccc1[C@@H]1C(C#N)=C(N)Oc2cc(OC(=O)c3ccc(OCCC)cc3)ccc21 38682877 WZVGBBCNFFZMDE-NDEPHWFRSA-N 498.579 6.092 50 10 JKGE COc1cc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4cccc(C)c4)ccc32)ccc1OCC(C)C 38684101 BQYRDHMDBXXHGF-HHHXNRCGSA-N 484.552 5.476 50 10 JKGE Cc1cc(C)c2c(C)c(C(=O)Oc3ccc4c(c3)OC(N)=C(C#N)[C@H]4c3ccccc3Cl)oc2c1 38687649 RRCPDRUIBBXSMR-VWLOTQADSA-N 484.939 6.449 50 10 JKGE CCOc1ccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4ccc(OC)c(Cl)c4)ccc32)cc1 38701421 YNGXSZJXUAREPQ-DEOSSOPVSA-N 476.916 5.185 50 10 JKGE Cc1ccc(C(C)C)c(OC(=O)c2oc3c(c2C)/C(=N/NC(=O)Cc2ccccc2)CCC3)c1 40815870 VSIKHELALOERRO-QUPMIFSKSA-N 458.558 5.638 50 10 JKGE Cc1cccc(NC(=O)/C(C#N)=C\c2cc(Cl)ccc2OCc2ccc(Br)cc2)c1 59133078 XUSPEWHQFNRLJN-UNOMPAQXSA-N 481.777 6.536 50 10 JKGE Fc1cc(Br)c(Cl)cc1[C@H](Br)c1ccc(Br)c(Cl)c1 97896133 LCZVVFNJLKBKKZ-CYBMUJFWSA-N 491.807 7.142 50 10 JKGE COc1cccc(/C=C(/C#N)C(=O)NC2CCCCCC2)c1OCc1ccc(F)cc1Cl 98056715 NAJYNERCUVUNOW-UYRXBGFRSA-N 456.945 5.813 50 10 JKGE CCOc1cc(/C=C(/C#N)C(=O)Nc2cc(C(F)(F)F)ccc2Cl)cc(Br)c1O 98056720 XOQJWTJTSMWTRI-WZUFQYTHSA-N 489.675 5.771 50 10 JKGE Cc1ccc(N/C=C(/C#N)c2nc(-c3cc4cc(Br)ccc4oc3=O)cs2)c(C)c1 100114159 OJXLINJGUYLJLW-WJDWOHSUSA-N 478.371 6.272 50 10 JKGE CCCCOc1ccc(/C=C(/C#N)C(=O)Oc2ccc(/C=C(\C#N)C(=O)NCc3ccco3)cc2)cc1 103740649 WBSBXHWXRHQLMQ-ZNLNQYBNSA-N 495.535 5.194 50 10 JKGE CC(=O)N(c1cccc(Cl)c1)c1nc(/C=C(/C#N)c2nnc(-c3ccccc3)n2C)cs1 109087738 YPYFFHLGMWGEBU-BOPFTXTBSA-N 460.950 5.341 50 10 JKGE COc1cc(Cl)c([C@H](Br)c2cccc(I)c2)cc1OC 109867086 QEOLCUGMNDSJBB-OAHLLOKOSA-N 467.528 5.446 50 10 JKGE Fc1cccc(C(CBr)(CBr)Cc2ccc(F)cc2Br)c1 118877819 QWSJJTJVDYXEPE-UHFFFAOYSA-N 482.988 5.998 50 10 JKGE CC(C)CCOCCC(CBr)(CBr)c1ccccc1Br 118878939 BTUCNUJPTLPZDE-UHFFFAOYSA-N 471.071 5.930 50 10 JKGE O=C1CCCc2cc([C@@H](Br)c3csc(I)c3)ccc2N1 124423012 RKBHMWAWAIQITM-OAHLLOKOSA-N 462.150 5.112 50 10 JKGE Cc1cc([C@H](Br)c2csc3c(Br)cccc23)ccc1Br 137917544 YCMCRANUEPHSAF-HNNXBMFYSA-N 475.043 7.219 50 10 JKGE Fc1ccc(-n2c(CCl)nc3cc(Br)ccc32)c(I)c1 150190499 MYCPJFDLOBIQJA-UHFFFAOYSA-N 465.491 5.271 50 10 JKGE Fc1cccc(COc2ccc(CBr)cc2Br)c1Br 156897369 SWYCWSYYMAVVIA-UHFFFAOYSA-N 452.943 5.825 50 10 JKGE C=CCN1C(=O)C(C#N)=C(C)/C(=C/c2cn(-c3ccccc3)nc2-c2ccc(OCCCC)cc2)C1=O 214352628 RFOPERNZGIUKHL-ITYLOYPMSA-N 492.579 5.496 50 10 JKGE COc1ccc([C@@H](Br)c2sccc2Br)c(OC)c1Br 224846281 ASUHNADGIDHJGS-SNVBAGLBSA-N 471.008 5.775 50 10 JKGE CCOc1ccc([C@H](Br)c2cc(Br)ccc2C)cc1Br 228992973 CXMVCQQMOGYOJZ-INIZCTEOSA-N 463.007 6.403 50 10 JKGE FC(F)(F)c1cc(Br)ccc1[C@H](Cl)c1cc(Cl)c(Br)s1 229518832 LRXDIOQMHLUOER-JTQLQIEISA-N 468.947 7.274 50 10 JKGE 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 252694397 KBSDBYDTKXUZDW-PBZVKTIXSA-N 493.614 8.686 50 10 JKGE CC(=NNC(=O)c1ccc(NS(=O)(=O)c2cccs2)cc1)c1ccc(Cl)cc1Cl 254295586 WJQFPIQPNZUXAY-UHFFFAOYSA-N 468.387 5.010 50 10 JKGE O=C(/C=C\c1ccccc1)Oc1ccc(C=NNC(=O)C(Oc2ccccc2)Oc2ccccc2)cc1 254496572 BJPSYSDRSHFMFA-RPDAQLJQSA-N 492.531 5.240 50 10 JKGE Brc1cc([C@H](Br)c2cc3c(cc2Br)OCCO3)co1 378913069 KTMDSBREABXLSQ-ZDUSSCGKSA-N 452.924 5.060 50 10 JKGE C=CCC(CBr)(CBr)Cc1c(Br)c(CC)nn1CC 387284123 YWMZNQPXYXGCNN-UHFFFAOYSA-N 457.048 5.123 50 10 JKGE Fc1cc(Br)c([C@@H](Br)c2cccc(F)c2Br)c(F)c1F 398734252 NQLAUNNPTYXXMB-NSHDSACASA-N 476.887 6.252 50 10 JKGE CC(C)(C)[Si](C)(C)OCCc1ccccc1[C@@H]1CCCN1CCO[Si](C)(C)C(C)(C)C 616608223 PLISKYKEUKAASX-DEOSSOPVSA-N 463.855 7.410 50 10 JKGE CC(C)(C)OC(=O)Nc1cccc([C@@H]2CCN(CCO[Si](C)(C)C(C)(C)C)c3ccccc32)c1 616676487 XQSJOUAYCNKZLY-QHCPKHFHSA-N 482.741 7.397 50 10 JKGE COc1cc(C)c(Br)cc1[C@@H](Br)c1ncsc1Br 698648783 RIFGLWOOCWCLIN-SNVBAGLBSA-N 455.997 5.469 50 10 JKGE CC1(C)CO[C@@H](COc2c(Br)cc(CBr)cc2Br)C1 708348716 OGUHCGNUQYYXCS-SNVBAGLBSA-N 457.000 5.300 50 10 JKGE COc1ccc(Cl)cc1[C@@H](Cl)c1ccc(I)c(Br)c1 721603500 MJQPALNZUAAZQO-AWEZNQCLSA-N 471.947 6.044 50 10 JKGE CC(=O)[C@@]1(O)CC[C@H]2[C@@H]3C[C@H](C)C4=CC(=O)C=C(O[Si](C)(C)C(C)(C)C)[C@]4(C)[C@H]3[C@H](O)C[C@@]21C 888085760 LFEZZFSKYNHYMM-NZOXRXPJSA-N 488.741 5.181 50 10 JKGE Cc1ccc(C(C)C)cc1OCC(=O)NN=Cc1ccccc1OCc1cccc(Br)c1 1083968543 PMVNTBSYXNCUKE-UHFFFAOYSA-N 495.417 5.989 50 10 JKGE O=C(NN=Cc1ccccc1OCc1cccc2ccccc12)c1cccc(Br)c1 1084119139 NUFBTGGMFGJTHG-UHFFFAOYSA-N 459.343 5.945 50 10 JKGE CCOc1ccccc1NC(=O)C(=O)NN=Cc1cccc(OCc2ccc(Cl)cc2Cl)c1 1084502586 IZBHHNIFJCXYFU-UHFFFAOYSA-N 486.355 5.060 50 10 JKGE COc1cccc(NC(=O)c2oc3c(c2C)C(=NNC(=O)c2ccc(Br)cc2)CCC3)c1 1772744026 PXRXKPAIWOAHAX-UHFFFAOYSA-N 496.361 5.082 50 10 JKGE COc1cc(C=NNC(=O)COc2ccc(-c3ccccc3)cc2)ccc1OCCc1ccccc1 1772754543 YCNPETIQKQEGPG-UHFFFAOYSA-N 480.564 5.513 50 10 JKGE O=C(COc1cc(Cl)ccc1Cl)NN=Cc1ccc(OCc2ccccc2Cl)cc1 1772754811 WJBOKXMVFYNHFZ-UHFFFAOYSA-N 463.748 5.755 50 10 JKGE N#CC1=C(N)Oc2c(c(C(F)(F)F)nn2Cc2ccc(Cl)c(Cl)c2)[C@H]1c1ccccc1F 1865683530 LXMVGMJDPGKOSO-INIZCTEOSA-N 483.252 5.614 50 10 JKGE Cc1ccc(C)c(Cn2nc(-c3ccccc3)c3c2OC(N)=C(C#N)[C@H]3c2ccccc2Cl)c1 1865685273 HMCHXIARKIIDGA-XMMPIXPASA-N 466.972 6.087 50 10 JKGE CCCc1nn(-c2ccc(Cl)cc2)c2c1[C@@H](c1c(OC)ccc3ccccc13)C(C#N)=C(N)O2 1865688119 JWAJXZHNQWERMB-XMMPIXPASA-N 470.960 5.858 50 10 JKGE CCCc1nn(Cc2ccc(Cl)c(Cl)c2)c2c1[C@@H](c1cc(OC)ccc1OC)C(C#N)=C(N)O2 1865693482 WGMGXAQITAAIPO-QFIPXVFZSA-N 499.398 5.426 50 10 JKGE Cc1nn(Cc2c(F)cccc2Cl)c2c1[C@H](c1ccccc1OC(C)C)C(C#N)=C(N)O2 1865704794 DYQDEFGLZJWODQ-JOCHJYFZSA-N 452.917 5.038 50 10 JKGE COc1cc(OC)c(OC)cc1/C=C1\Oc2c(ccc(OCc3cccc(CCl)c3)c2C)C1=O 1871437248 OEAKOAIVQJONBA-ROTLSHHCSA-N 480.944 5.955 50 10 JKGE N#C/C(=C(/O)CCCOc1ccc(Cl)cc1Cl)c1nc(-c2ccccc2Cl)cs1 1872746228 YSBGTOCONFQPPX-CYVLTUHYSA-N 465.789 7.422 50 10 JKGE COc1ccc(-c2csc(/C(C#N)=C(\O)[C@H](C(C)C)N3C(=O)c4ccccc4C3=O)n2)c(C)c1C 1872754045 ZWZNAGKOLNBUJV-ODMPFRHRSA-N 487.581 5.549 50 10 JKGE C[C@@H](Br)CN(Cc1ccccc1)C(=O)c1csc(Br)c1Br 1914668708 VHJFYKJHLRXTAH-SNVBAGLBSA-N 496.062 5.699 50 10 JKGE CC(C)[C@@H](CCl)N(Cc1ccccc1)c1ncc(C(F)(F)F)cc1I 1915283529 CAJNRALMZHEGOD-MRXNPFEDSA-N 482.715 5.975 50 10 JKGE Cc1ccc(C(=O)N(Cc2ccccc2)[C@H](CBr)C(C)C)c(Br)c1 1915297029 BDEPXMWHUMSZMI-LJQANCHMSA-N 453.218 5.819 50 10 JKGE Cc1cc([C@H](Br)c2cc3c(cc2Br)OCCO3)oc1Br 1917612495 MREGCFOLIMZBBO-CYBMUJFWSA-N 466.951 5.369 50 10 JKGE Fc1cc(Cl)ccc1[C@@H](Br)c1sc(Br)cc1Br 1922936057 UPLDHHZAYBCKFH-SNVBAGLBSA-N 463.391 6.550 50 10 JKGE C[C@H](c1ccncc1Br)[C@@H](Br)c1cccc(Br)c1Cl 1924040963 SDSSZUVRQRHHNX-AMIZOPFISA-N 468.414 6.500 50 10 JKGE C[C@@H](c1ccncc1Br)[C@H](Br)c1ccc(OCc2ccccc2)cc1 1924043423 LKCBVALCSZINOW-BTYIYWSLSA-N 461.197 6.663 50 10 JKGE C[C@@H](c1ccncc1Br)[C@H](Cl)c1ccc(Br)cc1Br 1924044135 SUQRQIVCLXJSST-RTHLEPHNSA-N 468.414 6.453 50 10 JKGE Brc1sc(Br)c([C@H](Br)[C@]23CCC[C@@H]2C3)c1Br 1924609061 RMBZITUYGDOMQY-ZXHVRRQWSA-N 493.884 6.662 50 10 JKGE Cc1cc(Br)c([C@H](Br)[C@@]23CCC[C@@H](C2)OC3)cc1Br 1925088422 BEMUUPZJUDBKGX-LKTVYLICSA-N 453.012 5.915 50 10 JKGE Clc1ccc(I)c([C@H](Cl)c2c(Cl)sc(Cl)c2Cl)c1 1925587931 MUCRVVWNFVBQCM-QMMMGPOBSA-N 472.389 7.295 50 10 JKGE CCN[C@H](c1c(Br)sc(Br)c1Cl)[C@H]1C[C@@H]1Br 1991466505 WQAIPVDPEDMDPF-YQJDLUKNSA-N 452.437 5.361 50 10 JKGE Cc1cc(Br)c(C)c([C@H](Br)C2(Br)CC2)c1Br 1993348159 SAWSNFYJNJCQGQ-NSHDSACASA-N 475.844 6.192 50 10 JKGE C[C@H]1C[C@@H]1[C@H](Cl)c1c(Br)c(Br)cc(Br)c1Br 1995049424 ZUIMWYNZRULHSE-ANYMCVJYSA-N 496.262 6.673 50 10 JKGE CCc1cc(Br)c([C@H](Br)c2cccc(Br)c2C)s1 2029235932 UARYOIWRSHIKKQ-CYBMUJFWSA-N 453.037 6.628 50 10 JKGE O=C(NCC1CCN(CC2(CBr)CCCCCC2)CC1)OCc1ccccc1 2044704212 ARYWOKVDKAYHSO-UHFFFAOYSA-N 451.449 5.360 50 10 JKGE Oc1cc(Cn2nc(CCl)c(I)c2C(F)(F)F)cc(C(F)(F)F)c1 2079211639 WYDSCGPKZQMKRJ-UHFFFAOYSA-N 484.565 5.018 50 10 JKGE Cc1sc(Br)c([C@@H](Br)c2cccc(Br)c2F)c1C 2082882692 BFSDXPJKEUXLBV-NSHDSACASA-N 457.000 6.513 50 10 JKGE Cc1nc(C[C@H](Br)c2cc(Br)ccc2Br)sc1C 2085797339 DUAPLWFYQCUEDQ-LBPRGKRZSA-N 454.025 5.964 50 10 JKGE COc1cc(Br)c(Oc2cccnc2CBr)cc1Br 2089817517 OKYFXTUZFZTDSK-UHFFFAOYSA-N 451.940 5.302 50 10 JKGE Cc1cc([C@H](Cl)c2cccc(Br)c2Br)c(C)cc1Br 2092327492 BKLJANZQHJPKCN-OAHLLOKOSA-N 467.426 6.919 50 10 JKGE Fc1cc(Cl)c(Br)cc1[C@@H](Cl)c1cc(Cl)ccc1I 2097834873 OLERQWQUERULHQ-CYBMUJFWSA-N 494.356 6.828 50 10 JKGE BrCc1cc(Br)cc(Br)c1OC1[C@H]2CCCCC[C@H]12 2111902053 FDKKGWOWUNLDNM-RYUDHWBXSA-N 453.012 6.064 50 10 JKGE Cc1ccc([C@@H](Br)c2nn(C)c(Br)c2C)c(C)c1Br 2111933482 QMRQLQXQXQIHGH-GFCCVEGCSA-N 451.000 5.355 50 10 JKGE CN(Cc1cc(Cl)ccc1I)C1CCC(CBr)CC1 2114660160 SCRJZODRZKSMCQ-UHFFFAOYSA-N 456.593 5.330 50 10 JKGE FC(F)(F)C1([C@H](Br)c2cc(Br)sc2Br)CCOCC1 2116584894 XJKLHOCNQJYFFN-MRVPVSSYSA-N 486.973 6.068 50 10 JKGE Cc1cccc(C(CBr)(CBr)Cc2cc(Br)sn2)c1 2139780806 QYKJXSJWMDCCRE-UHFFFAOYSA-N 468.052 5.484 50 10 JKGE CCC12COC([C@H](Br)c3ccc(Br)c(C)c3Br)(C1)C2 2140283216 CFBPBEKCYOREPI-WLYUNCDWSA-N 453.012 5.915 50 10 JKGE Fc1ccc(Br)c(COc2ccc(CBr)c(Br)c2)c1 2141338300 HOEPKDIQRVMDAI-UHFFFAOYSA-N 452.943 5.825 50 10 JKGE C[C@H]1Cc2cc([C@@H](Br)c3cccc(Br)c3Br)ccc2O1 2148751832 RNKMCESJBGFZDT-BJOHPYRUSA-N 460.991 6.019 50 10 JKGE C[C@@H](Br)C[C@H]1CCCCCN1C(=O)c1csc(Br)c1Br 2150344470 LVUAZKSUNRQUJZ-NXEZZACHSA-N 488.083 5.831 50 10 JKGE CCCOc1ccc([C@H](Br)c2cc(Br)sc2C)cc1Br 2152047076 CWVRQUVGIJCGRC-HNNXBMFYSA-N 483.063 6.855 50 10 JKGE Clc1cccc(Br)c1[C@H](Cl)c1csc2c(Br)cccc12 2169463890 OLYOYIKFNBGEBT-CQSZACIVSA-N 451.010 7.408 50 10 JKGE BrC[C@]1(Cc2cc(Br)ccc2Br)CCCCC12CCC2 2175149627 KSNHZZIQOCGHQX-QGZVFWFLSA-N 465.067 6.880 50 10 JKGE F[C@]12CCC[C@@]1(CBr)CN(Cc1ccc(Br)cc1Br)C2 2176636629 PSDDQXLSNJYQOG-CABCVRRESA-N 470.018 5.301 50 10 JKGE CCc1nn(C)c([C@@H](Br)[C@H](C)c2ccncc2Br)c1Br 2192373594 JHVMTBZXUYZLBT-PELKAZGASA-N 466.015 5.142 50 10 JKGE CCOc1ccc([C@@H](Br)c2c(Br)c(C)nn2C)c(Br)c1 2192376098 TUQYAEYHMIXVQN-CYBMUJFWSA-N 466.999 5.137 50 10 JKGE CCC(F)(F)C(C)(C)[C@@H](Br)c1c(C)c(Br)cc(C)c1Br 2201061500 FSUOAFXBAKJTQN-ZDUSSCGKSA-N 477.025 7.336 50 10 JKGE Cc1cccc([C@H](Br)c2c(C)c(Br)cc(C)c2Br)c1C 2201070455 BRJPLCCJCSNGKY-KRWDZBQOSA-N 461.035 6.930 50 10 JKGE CCc1nc([C@H](Br)c2ccc(OC)c(Cl)c2Cl)c(Br)s1 2203432759 JOOJLOJYPOTQTH-SECBINFHSA-N 460.018 6.268 50 10 JKGE CC(F)(F)c1ccc([C@@H](Br)c2ccc(Br)cc2Br)cc1 2203705979 PTOGMWOOKRYJAZ-CQSZACIVSA-N 468.961 6.808 50 10 JKGE Fc1cc(Br)c(Br)cc1[C@H](Br)[C@H]1C[C@H](Br)C1 2210477960 MHOCCRSXNJITLF-WHHMAUIRSA-N 479.807 5.960 50 10 JKGE Clc1ccc([C@@H](Cl)Cc2sc(Br)c(Br)c2Br)cc1 2222471121 IXMPIUPSLIIGEU-QMMMGPOBSA-N 493.873 7.212 50 10 JKGE C[C@H](Cl)c1nc2cc(Br)c(Br)cc2n1[C@@H]1CCN(Cc2ccccc2)C1 2225686999 LYZVCYCXNRSZPD-DZGCQCFKSA-N 497.662 6.308 50 10 JKGE Cc1cc(Br)c([C@H](Br)C[C@H](C)C(F)(F)F)c(C)c1Br 2227360119 PBBNRKWAIXVYOG-OIBJUYFYSA-N 466.961 6.853 50 10 JKGE Cc1ccc([C@H](C)[C@H](Cl)c2c(Br)sc(Br)c2Br)cc1 2232081529 JUTLRINQJYLOMX-UFBFGSQYSA-N 487.482 7.428 50 10 JKGE Cc1c(Br)csc1[C@H](Br)c1cc(Br)c2c(c1)CCCO2 2234514553 RTPZEQAFGHLYKD-CYBMUJFWSA-N 481.047 6.391 50 10 JKGE CCn1ncc(Br)c1[C@@H](Br)c1c(F)cc(F)c(Br)c1F 2236107682 HMBDTGDEURYPJF-JTQLQIEISA-N 476.916 5.330 50 10 JKGE O=C(c1csc(Br)c1Br)N1[C@H](CBr)C[C@H]2CCCC[C@H]21 2240729252 SPALBWUWLQOOQK-WCABBAIRSA-N 486.067 5.441 50 10 JKGE O=C(c1csc(Br)c1Br)N1[C@H](CBr)C[C@@H]2CCCC[C@H]21 2240731461 SPALBWUWLQOOQK-ATZCPNFKSA-N 486.067 5.441 50 10 JKGE COc1ccc([C@H](Br)c2ccc(F)c(Br)c2F)c(Br)c1 2240810459 PKTWYMXMBVJKBB-LBPRGKRZSA-N 470.933 5.983 50 10 JKGE Cc1ccc([C@H](C)[C@H](Br)c2cc(Br)c(C)cc2Br)cc1 2240822732 BQLVPWFPMJIKOQ-SJCJKPOMSA-N 461.035 7.068 50 10 JKGE Clc1cc([C@H](Br)c2ccc(Cl)c(I)c2)c(Cl)s1 2248215016 SUFPBKJIKAVLIV-SNVBAGLBSA-N 482.395 6.797 50 10 JKGE CCN(C[C@](C)(CI)OCCc1ccc(C)cc1)C(=O)OC(C)(C)C 2263397132 AFEHNOKGIOEHCK-FQEVSTJZSA-N 461.384 5.005 50 10 JKGE Cc1cccc(Oc2ccc(CBr)c(Br)c2)c1I 2263449051 TVNHGQPIAJONBA-UHFFFAOYSA-N 481.953 6.049 50 10 JKGE COc1c(Br)cc(Cl)c(C)c1[C@@H](Br)[C@H]1C[C@@H](Br)C1 2263537202 HSBYDPZASGBRDR-SXMVTHIZSA-N 461.419 6.029 50 10 JKGE Cc1cc(Cl)c(Cl)cc1[C@@H](Cl)c1ccc(Br)cc1I 2264375338 QXKPTQPTGYQCMM-AWEZNQCLSA-N 490.393 6.997 50 10 JKGE Cc1cc(Br)c([C@@H](Br)c2cccc(I)c2)c(C)c1F 2264486779 IPQARCNAJOXGOO-AWEZNQCLSA-N 497.971 6.294 50 10 JKGE CC(C)(C)c1ccc([C@@H](Br)c2c(F)cccc2I)s1 2267738340 JHKDWQNPKAOZLN-CQSZACIVSA-N 453.158 6.274 50 10 JKGE COc1ccc([C@@H](Cl)c2cccc(Cl)c2Br)cc1I 2269555551 JHNUTKCIMKCAJH-CQSZACIVSA-N 471.947 6.044 50 10 JKGE CC1CC(CC[C@H](Br)c2c(F)cc(Br)c(F)c2Br)C1 2274614536 BAKXTHJHFRUXQV-HACHORDNSA-N 460.982 6.752 50 10 JKGE COc1c(C)cc(C)cc1[C@H](Br)c1cc(Br)sc1Br 2277912928 XQNVWENJEXEGRG-LBPRGKRZSA-N 469.036 6.383 50 10 JKGE Cc1ccc([C@H](Br)Cc2cc(Br)cc(Br)c2)c(F)c1 2277961213 QKNWCHVDMPCNNM-CQSZACIVSA-N 450.971 6.338 50 10 JKGE FC1(F)[C@H]2C[C@H]([C@@H](Br)Cc3cc(Br)cc(Br)c3)C[C@H]21 2277966776 VTSGUPXWWPOKHX-KNDHEWATSA-N 458.966 5.809 50 10 JKGE Fc1cc(Br)ccc1CO[C@@H](CBr)c1ccc(Br)cc1 2281371474 GXNJRWXSIYETNJ-HNNXBMFYSA-N 466.970 6.004 50 10 JKGE Fc1cccc(I)c1[C@H](Cl)c1cc(Cl)c(Cl)c(Cl)c1Cl 2282787492 QSTMRULPTRLQNE-SNVBAGLBSA-N 484.350 7.372 50 10 JKGE COc1cc(C)c(Br)c(C)c1[C@@H](Br)c1cn(C)c(Br)n1 2285074102 GBMBWBFVZWQHLT-ZDUSSCGKSA-N 466.999 5.055 50 10 JKGE C[C@]1([C@H](Br)c2c(F)cc(Br)c(F)c2Br)C[C@@H]1C(F)(F)F 2288346181 WPKKTYSJDYPFFG-FZYJTZEISA-N 486.898 6.514 50 10 JKGE CC(C)(C)CCN(CCCl)C(=O)c1ccc(I)c(Br)c1 2289876044 MKRAPIZKIUCHCG-UHFFFAOYSA-N 472.592 5.171 50 10 JKGE COc1ccc(OCCOc2c(Cl)cc(Cl)cc2C=C(C#N)C(=O)NCc2ccccc2)cc1 2293641215 GLPREXZUHMBXCI-UHFFFAOYSA-N 497.378 5.683 50 10 JKGE N#CC(=Cc1ccc(OCc2ccc(Cl)cc2Cl)c(Cl)c1)C(=O)NCc1ccco1 2293700606 MYZHQXYLESLOCQ-UHFFFAOYSA-N 461.732 6.042 50 10 JKGE COc1ccc(NC(=O)C(C#N)=Cc2cc(C)n(-c3ccc(Br)cc3)c2C)cc1 2294193351 HVCQMBDXWBXGFA-UHFFFAOYSA-N 450.336 5.411 50 10 JKGE N#CC(=Cc1ccc(OS(=O)(=O)c2ccc(Cl)cc2)cc1)c1nc2ccccc2s1 2294510996 NOXLSBRCXSYYGF-UHFFFAOYSA-N 452.944 5.782 50 10 JKGE N#CC(=Cc1ccc(-c2cccc(Br)c2)o1)C(=O)NCCc1c[nH]c2ccccc12 2294607092 AWDDWEOSGNESNX-UHFFFAOYSA-N 460.331 5.456 50 10 JKGE CCCn1c2ccccc2c2cc(C=CC3=CC(=C(C#N)C#N)C=C(c4ccccc4)O3)ccc21 2297612581 KIMJJAAUOIUABF-UHFFFAOYSA-N 453.545 7.517 50 10 JKGE FC1(F)CC[C@@H]1C[C@H](Cl)c1c(Br)sc(Br)c1Br 2299067517 ITRBUMGGQVUSPS-UHNVWZDZSA-N 473.402 6.751 50 10 JKGE CO[C@@H]1CC[C@H]([C@H](Br)c2cc(Br)ccc2OCc2ccccc2)C1 2299489776 SHGCIKLLUAHWEB-VPWXQRGCSA-N 454.202 6.279 50 10 JKGE Cc1c(Cl)sc(Cl)c1[C@H](Br)c1cc(Br)sc1Br 2299541062 AASUKNZFQCDBSM-SSDOTTSWSA-N 499.902 7.434 50 10 JKGE C[C@]1([C@H](Br)c2c(Cl)cc(Br)c(F)c2Br)C[C@@H]1F 2300163153 LFEXENBAJWXBDN-FZYJTZEISA-N 453.346 6.188 50 10 JKGE N#CC(=Cc1cc(Br)ccc1OCc1cccc(F)c1)C(=O)Nc1ccc(Cl)cc1 2313631099 KQFFVDLRKJQUOE-UHFFFAOYSA-N 485.740 6.366 50 10 JKGE Fc1c(Br)cccc1[C@H](Cl)c1cc(Br)ccc1OCc1ccccc1 2314449244 OMQDXOZWMFAYAI-IBGZPJMESA-N 484.590 7.258 50 10 JKGE O=S1(=O)CCCC[C@H]1[C@H](Br)c1cc(Br)ccc1OCc1ccccc1 2314492222 VRRNHMLSFOJGLI-RBUKOAKNSA-N 488.241 5.431 50 10 JKGE Cc1ccc(C[C@@H]2SC(=C(C#N)C(=O)Nc3ccc(C)cc3)N(c3ccc(C(C)C)cc3)C2=O)cc1 2314591647 AJGLBIWBISRDCI-MHZLTWQESA-N 495.648 6.492 50 10 JKGE Fc1c(Br)cc(Cl)c([C@H](Br)[C@]23COC[C@H]2C3)c1Br 2315440304 QZKISIAIFTXRPG-ZSCXHOBISA-N 463.366 5.477 50 10 JKGE CC1(C)CC[C@@H]1[C@@H](Br)c1c(Cl)cc(Br)c(F)c1Br 2315447089 JVSYBOPUXYAVSU-LHLIQPBNSA-N 463.410 6.876 50 10 JKGE CC(C)(C)OC(=O)N1CCC(CI)(OCC[C@@H]2CC[C@@H]2C2CC2)CC1 2319636836 ZMDOPJQKTHEVSP-DLBZAZTESA-N 463.400 5.034 50 10 JKGE FC(F)(F)[C@H]1C[C@@H]([C@@H](Br)c2c(Br)sc(Br)c2Cl)C1 2327679717 AHPMRIOVQUYFAI-ALEPSDHESA-N 491.392 6.951 50 10 JKGE COc1ccc(C(C)(C)C)cc1-c1csc(C(C#N)=C(O)[C@@H]2CC(=O)N(Cc3ccccc3)C2)n1 2331350701 MWJSEKFVPTXTPS-LJQANCHMSA-N 487.625 5.958 50 10 JKGE COc1cc(C)c(-c2csc(C(C#N)=C(O)c3cccc(Br)c3)n2)cc1C(C)C 2331353966 SQLBQMJUHIDDKT-UHFFFAOYSA-N 469.404 6.963 50 10 JKGE COc1c(Cl)cc(-c2csc(C(C#N)=C(O)[C@H]3CC(=O)N(C(C)C)C3)n2)cc1Cl 2331397737 ZRCRUDRIJXRKGA-LBPRGKRZSA-N 452.363 5.175 50 10 JKGE COc1cc(C=C(C#N)c2nc(-c3cccc([N+](=O)[O-])c3)cs2)ccc1OCc1ccc(C)cc1 2331414459 ILPVUEQVLVVPFQ-UHFFFAOYSA-N 483.549 6.679 50 10 JKGE Cc1ccc(C(C)(C)C)cc1-c1csc(C(C#N)=Cc2cc(Br)ccc2O)n1 2331478503 PDMCMHAOBUGTPX-UHFFFAOYSA-N 453.405 6.948 50 10 JKGE Brc1ccc(Br)c([C@@H](Br)[C@@H]2C[C@H]2C2CCCCC2)c1 2332690208 XHGULHLFXWCESL-ZENOOKHLSA-N 451.040 6.864 50 10 JKGE CC1(C)C2CCC1([C@@H](Br)c1cc(Br)ccc1OCc1ccccc1)CC2 2336078336 PBNOIAVOCUWRND-QKTWPWEVSA-N 478.268 7.681 50 10 JKGE Fc1c(Br)cc(Cl)c([C@@H](Br)[C@H]2CCC(F)(F)C2)c1Br 2337088724 PGKRLLRDSHIQEU-CDUCUWFYSA-N 485.363 6.876 50 10 JKGE CCC1([C@@H](Br)c2c(Cl)cc(Br)c(F)c2Br)CCCC1 2337114444 QKOTVGMNZDLBCA-ZDUSSCGKSA-N 477.437 7.411 50 10 JKGE Cc1cc([C@@H](Br)c2c(Br)nc(C)n2C)c(C)cc1Br 2337279878 XSYWUCAAGJJVGM-GFCCVEGCSA-N 451.000 5.355 50 10 JKGE CCCc1sc(Br)cc1[C@@H](Br)c1cc(C)ccc1Br 2338024887 ZUXNCAPJVURTNZ-HNNXBMFYSA-N 467.064 7.018 50 10 JKGE ClCc1cccc(Cl)c1OCc1cc(I)ccc1Br 2341780727 QSPIRZJKFFNOEU-UHFFFAOYSA-N 471.947 6.025 50 10 JKGE Cl[C@H]1C[C@@H](OCc2cc(I)ccc2Br)C12CCCC2 2341835561 AACROJFULXDSBZ-UONOGXRCSA-N 455.561 5.510 50 10 JKGE COc1c(F)cc([C@@H](Br)c2scc(Br)c2Br)cc1F 2344294414 DWRLPWURNJKNFC-SECBINFHSA-N 476.962 6.044 50 10 JKGE Brc1cc(CN2C[C@H]3C[C@@H](Br)CC[C@H]3C2)ccc1I 2349847804 MSUSIWAIZXSCDQ-XQQFMLRXSA-N 499.028 5.049 50 10 JKGE C[C@@H]1CCC[C@@H](CO[C@](C)(CI)c2ccccc2Br)O1 2364036960 LMLDHRPAPVVOSG-DVOMOZLQSA-N 453.158 5.074 50 10 JKGE C[C@@H](c1cccs1)N(Cc1ccccc1)c1c(CBr)c(C(F)(F)F)nn1C 2365332291 QDCXTHQHJUBMLI-ZDUSSCGKSA-N 458.347 6.163 50 10 JKGE COc1ccc(C[C@@H](Br)c2ccc(Cl)cc2I)cc1F 2365593430 UQIMMWBWNLRVSV-GFCCVEGCSA-N 469.519 5.771 50 10 JKGE Cc1ccc(C[C@@H]2S/C(=C(\C#N)C(=O)Nc3ccccc3C)N(c3ccccc3)C2=O)cc1 2284431 USIGMUACXOJNFX-ABPPERTMSA-N 453.567 5.368 50 10 JKGE Cc1ccc([C@@H](C(=O)NC2CCCCC2)N(C(=O)CCl)[C@H]2CCCc3ccccc32)cc1 3036099 BNQJRISAGVIZCC-AHWVRZQESA-N 453.026 5.630 50 10 JKGE N#C/C(C(=O)NCc1ccccc1)=C1\S[C@H](Cc2ccc(Cl)cc2)C(=O)N1c1ccc(F)cc1 7018845 QXDIIYINWPFALC-QPQMVVSWSA-N 491.975 5.222 50 10 JKGE COc1ccc(N/C(SCc2ccc(C)cc2)=C(/C#N)S(=O)(=O)c2ccccc2)cc1Cl 20325664 OFKDUYHYLRKFLT-WCWDXBQESA-N 485.030 6.169 50 10 JKGE O=C(CNc1cccc(Cl)c1)N/N=C/c1ccccc1OCc1ccc(Br)cc1 20494919 OQDUZNZAZBGCAY-LGJNPRDNSA-N 472.770 5.244 50 10 JKGE COc1ccc(NC(=O)/C(C#N)=C/c2ccc(OC(F)(F)[C@H](F)C(F)(F)F)cc2)cc1OC 32788332 AWHULFXCZZXCFZ-XWGMLZDCSA-N 474.357 5.121 50 10 JKGE COc1cc(/C=C(/C#N)C(=O)Nc2cccc3ncccc23)ccc1OCC(=O)Nc1ccc(C)cc1 33417837 DASVCZHPHITWCQ-QNGOZBTKSA-N 492.535 5.115 50 10 JKGE CC[C@H](C)c1nc(N2CCN(C(=O)C(C)(C)CCl)CC2)c2c3c(sc2n1)CCCCC3 35892371 REUNWFDGSALLRP-INIZCTEOSA-N 463.091 5.387 50 10 JKGE COc1cc(/C=C2/C(=O)N(CCc3ccccc3)C(=O)C(C#N)=C2C)ccc1OCc1ccc(C)cc1 38607566 GFTJKIPEUCFGRY-YZSQISJMSA-N 492.575 5.418 50 10 JKGE CCCCOc1ccc(C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@H]3c2cccc(F)c2)cc1 38678063 CYGFCHVXNORHJT-VWLOTQADSA-N 458.489 5.442 50 10 JKGE ClCc1nc2cc(I)ccc2n1-c1ccc(Br)cc1Cl 97354005 QQPZKFOPAFQPKX-UHFFFAOYSA-N 481.946 5.785 50 10 JKGE CC1=C(C#N)C(=O)N(Cc2ccccc2)C(=O)/C1=C/c1cn(-c2ccccc2)nc1-c1ccc(F)cc1 101334927 WIBRKTGKUKNDJX-WGOQTCKBSA-N 488.522 5.471 50 10 JKGE COc1ccc(C[C@@H]2S/C(=C(\C#N)C(=O)Nc3ccc(Cl)cc3)N(c3ccccc3)C2=O)cc1 102666391 REEQEGFJEMWWAH-GPSDDGMOSA-N 489.984 5.414 50 10 JKGE Cc1ccc(-c2csc3nc(SCC(=O)/C(C#N)=C4/Nc5ccccc5S4)[nH]c(=O)c23)cc1 103908082 PLLPAELGPAGBHJ-JCMHNJIXSA-N 488.619 5.574 50 10 JKGE COc1ccc(Cl)cc1[C@@H](Br)c1cc(Br)c(Br)s1 128275122 WLCRGAYVHVQNOQ-LLVKDONJSA-N 475.427 6.419 50 10 JKGE CCSc1sc(-c2ccccc2)nc1[PH](c1ccccc1)(c1ccccc1)c1ccccc1 137036806 HEYHGKAWMMEEKU-UHFFFAOYSA-N 483.642 6.274 50 10 JKGE Fc1ccc(C(CBr)(CBr)Cc2ccc(Br)cn2)cc1 169003697 CBVWMGOQVGKYOF-UHFFFAOYSA-N 465.986 5.254 50 10 JKGE COc1cc(/C=C(/C#N)c2nc3ccccc3n2C)cc([N+](=O)[O-])c1OCc1cccc(C)c1 169939605 UTHYMRUFCPVNTD-NDENLUEZSA-N 454.486 5.442 50 10 JKGE CC(C)(C)c1ccc(/C=C\C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@@H]3c2cccc([N+](=O)[O-])c2)cc1 205645594 HHTNYFSIBKRUDA-GFOJTHJDSA-N 495.535 5.729 50 10 JKGE CCCN1C(=O)C(C#N)=C(C)/C(=C/c2cn(-c3ccccc3)nc2-c2ccc3ccccc3c2)C1=O 214216038 WTHHTBIULXPDHD-ONUIUJJFSA-N 472.548 5.695 50 10 JKGE CC(=NNC(=O)c1cc(-c2ccc(Cl)cc2)nc2ccccc12)c1ccc(NS(C)(=O)=O)cc1 254307786 GWVHTAVTRUTIRL-UHFFFAOYSA-N 492.988 5.081 50 10 JKGE Cc1occc1C(=O)NN=CC1=C(N2CCOCC2)/C(=C/c2ccc(Cl)cc2Cl)CC1 254398778 CPPSAVGMLCEKFA-JWZLKPPOSA-N 460.361 5.074 50 10 JKGE CCOc1ccc(S(=O)(=O)Nc2ccc(C(=O)NN=C3C[C@@H](C)CCC3=C(C)C)cc2)cc1 254440746 HHAGPPBFEAXQLG-SFHVURJKSA-N 469.607 5.128 50 10 JKGE CCOc1cc(C=NNC(=O)CSc2nnc(-c3ccc(C)cc3)n2C2CCCCC2)ccc1O 254516629 LMKGSZRPIJJCMF-UHFFFAOYSA-N 493.633 5.105 50 10 JKGE Cc1ccc(-c2nnc(SCC(=O)NN=C/C=C\c3ccccc3)n2C2CCCCC2)cc1 254670575 YBDPZQPPFYYLKS-MPUZODINSA-N 459.619 5.666 50 10 JKGE Fc1c(Br)cccc1[C@H](Br)c1cc2c(cc1Br)OCC2 308409800 CJNHSXMYEYWJHS-AWEZNQCLSA-N 464.954 5.770 50 10 JKGE C[C@H](Cl)c1nc2cc(I)ccc2n1[C@@H]1CCN(Cc2ccccc2)[C@@H]1C 311804674 FLZZVWVYNHHPHS-QMTMVMCOSA-N 479.793 5.776 50 10 JKGE O=c1[nH]c2cc(Br)c([C@@H](Br)c3ccccc3OCc3ccccc3)cc2[nH]1 312782116 YYNKQDCBZLUWGX-FQEVSTJZSA-N 488.179 5.682 50 10 JKGE Cc1ccc(Cl)cc1[C@H]1CN(C(=O)OCc2ccccc2)C[C@@H]1CI 382737135 XORWLCROTOPEBC-LPHOPBHVSA-N 469.750 5.436 50 10 JKGE CC(C)(C)OC(=O)N1CCC[C@@](CI)(O[C@@H]2C[C@H]3CC[C@@]2(C)C3(C)C)C1 387936291 BMNKTXGUQWQONL-NBJYBMASSA-N 477.427 5.423 50 10 JKGE CC(C)[C@H](CN(C)Cc1ccccc1)n1c(CCl)nc2cc(I)c(F)cc21 397996539 STWHDYIXHAKMNB-FQEVSTJZSA-N 499.799 5.848 50 10 JKGE CC(C)(C)OC(=O)NCCN1CCCCC[C@H]1c1cccc(CO[Si](C)(C)C(C)(C)C)c1 616625611 QMJKKCHVQVIGEY-QHCPKHFHSA-N 462.751 6.650 50 10 JKGE CC(C)(C)[C@H]1C[C@H]1CO[C@](C)(CI)c1ccccc1Br 703464476 RGHNUYLJVTWVME-RVSPLBMKSA-N 451.186 5.798 50 10 JKGE CC[C@H](C[C@H](C)Br)Nc1ncc(C(F)(F)F)cc1I 716875371 WUJBVLLBLLDYPB-IONNQARKSA-N 451.068 5.069 50 10 JKGE O=C(NN=Cc1cc(Br)c(Sc2ccc(Cl)cc2)o1)Nc1ccc(Cl)cc1 1084217807 JTUCHIROXMVYIR-UHFFFAOYSA-N 485.190 6.656 50 10 JKGE CC(C)(c1ccccc1)c1ccc(OCC(=O)NN=Cc2cccc(Oc3ccccc3)c2)cc1 1084291391 YYWDBWHZCYIIOL-UHFFFAOYSA-N 464.565 6.334 50 10 JKGE Cc1cc(-n2c(C)cc(C=NNC(=O)CC[C@H](O)c3ccccc3)c2C)ccc1Br 1084307607 FGIZJDQDPJROQE-QHCPKHFHSA-N 468.395 5.129 50 10 JKGE CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(C)cc2)ccc1OCc1ccc2c(c1)OCO2 1084352395 UXXSPFCWVUPFQF-CIAFOILYSA-N 456.498 5.247 50 10 JKGE Cc1c(C(=O)N2CCCc3ccccc32)oc2c1C(=NNC(=O)c1ccc3ccccc3n1)CCC2 1772751476 RTNMYLCMDVZMNP-UHFFFAOYSA-N 478.552 5.200 50 10 JKGE COc1ccc(-c2nn(Cc3ccccc3)c3c2[C@@H](c2c(F)cccc2Cl)C(C#N)=C(N)O3)cc1 1865686654 YNIDDYIKLFBIQZ-JOCHJYFZSA-N 486.934 5.618 50 10 JKGE COc1cc([C@H]2C(C#N)=C(N)Oc3c2c(C)nn3Cc2ccc(F)cc2)ccc1OCc1ccccc1 1865687709 YKOLOVOCKBYALA-MHZLTWQESA-N 496.542 5.185 50 10 JKGE CCCOc1ccc([C@H]2C(C#N)=C(N)Oc3c2c(C(F)(F)F)nn3-c2ccccc2)cc1OCC 1865691132 KCYWEKFPVLRIFO-FQEVSTJZSA-N 484.478 5.297 50 10 JKGE CCCCOc1ccc([C@@H]2C(C#N)=C(N)Oc3c2c(CCC)nn3Cc2ccc(C)cc2)cc1 1865692695 OTXCPYFIRXVXHR-RUZDIDTESA-N 456.590 5.589 50 10 JKGE CCCOc1ccc([C@H]2C(C#N)=C(N)Oc3c2c(C)nn3-c2ccc(Cl)c(Cl)c2)cc1 1865692860 GIVOAGRADPPWFD-NRFANRHFSA-N 455.345 5.495 50 10 JKGE CCOc1ccc([C@H]2C(C#N)=C(N)Oc3c2c(-c2ccccc2)nn3-c2ccc(C)cc2)cc1OC 1865694777 BGYJHRQPSAAFAD-VWLOTQADSA-N 478.552 5.473 50 10 JKGE COc1ccc(-c2nn(-c3ccc(C)cc3)c3c2[C@H](c2c[nH]c4ccccc24)C(C#N)=C(N)O3)cc1 1865700281 OTQWEKBMNYAQKF-VWLOTQADSA-N 473.536 5.556 50 10 JKGE CC(C)Oc1ccccc1[C@H]1C(C#N)=C(N)Oc2c1c(C(F)(F)F)nn2Cc1ccc(Cl)cc1 1865705038 KLGOHDFFHZEZON-IBGZPJMESA-N 488.897 5.609 50 10 JKGE CCCc1nn(Cc2ccc(C)cc2)c2c1[C@@H](c1ccc(Br)cc1)C(C#N)=C(N)O2 1865714740 PDMZZDWTNJSVFD-NRFANRHFSA-N 463.379 5.173 50 10 JKGE COc1ccc(-c2nn(-c3ccccc3)c3c2[C@H](c2ccc(Br)cc2)C(C#N)=C(N)O3)cc1 1865715082 VLTNLCYPMKLXJF-JOCHJYFZSA-N 499.368 5.529 50 10 JKGE C[C@H](CC(=O)N[C@H](Cc1ccccc1)C(=O)Nc1ccc(SC#N)cc1)c1ccc(Cl)cc1 1866715895 PKJVESOCKORJPS-HOYKHHGWSA-N 478.017 5.773 50 10 JKGE COc1ccc(-c2csc(/C(C#N)=C(\O)CNC(=O)c3ccc(C(C)(C)C)cc3)n2)cc1OC 1872745433 MSCAPQLLDFVFTJ-VZCXRCSSSA-N 477.586 5.347 50 10 JKGE CCOc1ccc(OCC)c(-c2csc(/C(C#N)=C/c3cc(Br)ccc3F)n2)c1 1872792613 IFNOHVHIRVUPMN-OQLLNIDSSA-N 473.367 6.573 50 10 JKGE CCOc1ccc(-c2csc(/C(C#N)=C/c3c(OC)ccc4ccccc34)n2)c(OCC)c1 1872793702 PADXGZOALZQQHF-XMHGGMMESA-N 456.567 6.833 50 10 JKGE CC[C@H](C)[C@H](NC(=O)OC(C)(C)C)C(=O)N/N=C/c1ccc(OCc2ccc(Cl)cc2)cc1 1873793256 GAWADMXKCWHHAD-HUQXMHCUSA-N 474.001 5.309 50 10 JKGE CCCCOc1ccc(/C(O)=C(\C#N)c2nc(-c3cccc([N+](=O)[O-])c3)cs2)cc1OCC 1873940679 CIPHXCQYAUSBSH-NMWGTECJSA-N 465.531 6.246 50 10 JKGE C[C@@H](CCBr)N(Cc1ccccc1)C(=O)c1ccc2cc(Br)ccc2c1 1915091451 XOQDDTIVXMKSOR-INIZCTEOSA-N 475.224 6.418 50 10 JKGE Cc1cccc(C(=O)N(Cc2ccccc2)C2(CBr)CCC2)c1Br 1915757087 UAKZRXMNLAXIAX-UHFFFAOYSA-N 451.202 5.718 50 10 JKGE Cn1nc([C@@H](Br)c2sc(Br)cc2Br)cc1Br 1922894133 JLHSRZRJNHGFGX-MRVPVSSYSA-N 493.844 5.253 50 10 JKGE Cc1cccc([C@@H](Br)c2c(Cl)sc(Cl)c2Cl)c1I 1925589249 SKELFPFNJJVAGS-MRVPVSSYSA-N 496.422 7.106 50 10 JKGE Clc1cc([C@H](Br)Cc2ccccc2I)c(Cl)s1 1940446206 XVIRIKUGJDGEKI-SECBINFHSA-N 461.977 6.338 50 10 JKGE Cc1cc([C@H](Cl)c2cc(Br)ccc2Br)c(Br)s1 1951020291 VMTCXESXLXDXCF-LLVKDONJSA-N 459.428 6.672 50 10 JKGE CCCC(CBr)(CCC)CN(Cc1ccccc1)CC1(O)CN(C(=O)OC(C)(C)C)C1 1999507536 HBNFFTBJKKSKAX-UHFFFAOYSA-N 497.518 5.452 50 10 JKGE Brc1cc([C@H](Br)[C@H]2CCn3ccnc3C2)c(Br)s1 2046633766 MPUKZLRRSAIDBX-WRWORJQWSA-N 455.013 5.168 50 10 JKGE COc1ccc(-c2nn(-c3ccccc3)cc2C=C(C#N)C(=O)c2c(C)[nH]c3ccccc23)cc1OC 2053614521 WSIUPKIALGBQOQ-UHFFFAOYSA-N 488.547 6.136 50 10 JKGE Cl[C@H](c1c(Br)sc(Br)c1Br)C12CCCC1CCC2 2063822068 NWDBPJGRWZUQNT-OILJVLCYSA-N 477.487 7.286 50 10 JKGE Cc1sc(Br)c([C@H](Br)c2cc(Cl)cc(Br)c2)c1C 2082884341 KSRVTDROALYNJJ-GFCCVEGCSA-N 473.455 7.028 50 10 JKGE COc1c(Br)cc(C)cc1[C@@H](Br)c1nscc1Br 2083456553 VCIUCSUUNRROHT-SNVBAGLBSA-N 455.997 5.469 50 10 JKGE ClCc1cccc(Br)c1OCc1ccc(Br)cc1Br 2092267624 QKAOYZJIUAMFMS-UHFFFAOYSA-N 469.398 6.292 50 10 JKGE CCOc1ccc([C@H](Cl)c2csc(Br)c2Br)c(Br)c1 2093942500 UBQDFCHWDMJKPB-LBPRGKRZSA-N 489.454 6.763 50 10 JKGE Cc1cccc([C@H](Cl)c2cc(C3CC3)c(Br)s2)c1I 2094673172 ICEWXMTYWHBRRD-ZDUSSCGKSA-N 467.597 6.629 50 10 JKGE ClCc1nc2cc(Br)c(Cl)cc2n1Cc1nccn1Cc1ccccc1 2103622351 UMRVFWAHSYTGGI-UHFFFAOYSA-N 450.167 5.484 50 10 JKGE C[C@H](Cl)c1nc2cc(Br)c(Cl)cc2n1C[C@@H]1CCN1Cc1ccccc1 2103808144 SFAAJNMPNIIYHD-ZFWWWQNUSA-N 453.211 6.027 50 10 JKGE BrCc1cc(Br)cc(Br)c1OC[C@H]1[C@H]2CCCC[C@H]21 2111008154 ALWIGOUUWFGCJR-CLLJXQQHSA-N 453.012 5.922 50 10 JKGE ClCc1nc2cc(Cl)c(Br)cc2n1C[C@@H]1CCN(Cc2ccccc2)C1 2112702053 RGEDITYRKNLDDQ-OAHLLOKOSA-N 453.211 5.713 50 10 JKGE CO[C@H]1C[C@H]([C@H](Cl)c2c(Br)sc(Br)c2Cl)C[C@H]1OC 2118286095 ORKGHWVSWAVOLK-LKHWLPBLSA-N 453.023 5.646 50 10 JKGE CCc1ccsc1[C@H](Br)c1c(C)c(Br)cc(C)c1Br 2136379977 PYVOGGIPFRBNMD-CQSZACIVSA-N 467.064 6.937 50 10 JKGE Cc1c(Br)ccc([C@@H](Cl)c2nn(C)c(Cl)c2Br)c1Br 2138850464 MIUFSIINNZAPID-SNVBAGLBSA-N 491.836 5.998 50 10 JKGE Fc1cc(Cl)c([C@@H](Br)c2cc(I)ccc2F)cc1Cl 2139429147 OSDDOQRBDRXBJM-CYBMUJFWSA-N 477.901 6.361 50 10 JKGE O=C(N[C@H]1c2ccccc2C[C@@H]1Br)c1csc(Br)c1Br 2150344279 HFHGKTCZBLDJSQ-JQWIXIFHSA-N 480.019 5.064 50 10 JKGE Cc1cc2sc([C@H](Br)c3cc(Cl)c(Br)cc3F)cc2s1 2156565723 WTWPEHIFLDKPME-CQSZACIVSA-N 454.611 7.311 50 10 JKGE Clc1ccc(C(CBr)(CBr)Cc2snc(Cl)c2Cl)cc1 2167231973 QHYFOLWHMPCASG-UHFFFAOYSA-N 478.464 6.374 50 10 JKGE C[C@H](Cl)c1nc2cc(Cl)c(Br)cc2n1C1[C@H]2CN(Cc3ccccc3)C[C@H]12 2169010514 WDPPHQLOYUQDQI-QEJZJMRPSA-N 465.222 6.055 50 10 JKGE CC(C)(C)OC(=O)N1CCN(CCCCCCCCCBr)[C@@H](CC(F)F)C1 2183411099 UUJYAQXOFMDYDI-KRWDZBQOSA-N 455.428 5.689 50 10 JKGE COc1cc2c(cc1Br)nc(CCCl)n2[C@@H](C)CCOCc1ccccc1 2202308625 IYHZSLFNAHCZGU-HNNXBMFYSA-N 451.792 5.757 50 10 JKGE COc1c(Cl)cc(Br)cc1[C@H](Br)c1cc2cscc2s1 2202995226 QXFAZUWGIPSPSZ-ZDUSSCGKSA-N 452.620 6.872 50 10 JKGE COc1c(Br)cc(C)cc1[C@H](Cl)c1cc(Br)cc(Br)c1 2203814346 HLZSATKWVJKUOH-CQSZACIVSA-N 483.425 6.619 50 10 JKGE O=C(c1cccc(Br)c1Br)N1[C@H](CBr)CCC12CCC2 2205770505 RFIMHHJFVMOPLE-JTQLQIEISA-N 466.011 5.134 50 10 JKGE Cc1sc(Br)c(C)c1[C@@H](Br)c1ccc(OCc2ccccc2)cc1 2213640028 IJVOVLUYKMRBOR-IBGZPJMESA-N 466.238 7.191 50 10 JKGE C[C@]1(n2c(CCl)nc3cc(Br)c(Br)cc32)CCN(Cc2ccccc2)C1 2225704748 PDOHEEGWYOICRQ-FQEVSTJZSA-N 497.662 5.921 50 10 JKGE Fc1cc(F)c([C@H](Br)c2cccc(Br)c2)c(F)c1Br 2227806151 HNAZHVMKPLJYSU-LLVKDONJSA-N 458.897 6.113 50 10 JKGE Cc1nc([C@H](Br)c2ccc3c(c2Br)CCO3)c(Br)s1 2229738503 GLFCOEPKDUYMAL-LLVKDONJSA-N 468.008 5.396 50 10 JKGE CCOCc1cc(Br)c([C@H](Br)c2cccc(C)c2Br)s1 2233022218 ORNUZCYBIYUNBU-CQSZACIVSA-N 483.063 6.602 50 10 JKGE Fc1cc(Br)c(Br)cc1[C@H](Br)[C@@H]1CC[C@]2(C1)CC2(F)F 2233976992 RXDDSZDPIIZLLF-BLBGDKDGSA-N 476.956 6.612 50 10 JKGE Cc1c(Br)csc1[C@@H](Br)c1cc2nc(O)[nH]c2cc1Br 2234518057 SHBNQSSACVSMHO-NSHDSACASA-N 481.007 5.648 50 10 JKGE Cc1cc(Br)cc([C@@H](Br)c2ccc3c(c2Br)CCO3)c1 2238075780 DYPQPSWSNATTLC-OAHLLOKOSA-N 460.991 5.939 50 10 JKGE CC[C@H](Br)CN(Cc1ccccc1)C(=O)c1cc(F)c(Br)cc1Cl 2248031534 CDRVIENEPSWGRK-ZDUSSCGKSA-N 477.599 6.058 50 10 JKGE CCc1cc([C@H](Br)c2ccc(F)c(Br)c2)sc1Br 2255988131 HTMLXQKHBYKOLD-GFCCVEGCSA-N 457.000 6.459 50 10 JKGE Clc1ccc([C@@H](Br)c2ccc(C3CC3)s2)cc1I 2256338055 HONMDLDDDANSOU-CQSZACIVSA-N 453.570 6.368 50 10 JKGE CS(=O)(=O)C1CC([C@H](Br)c2c(Cl)sc(Br)c2Cl)C1 2257527126 RBIJYBWELGOCJM-QIYZCZBYSA-N 457.036 5.077 50 10 JKGE Cc1cc([C@H](Cl)Cc2cc(Br)cc(Br)c2)oc1Br 2263515528 PNXXVPDCIRRHQL-LLVKDONJSA-N 457.387 6.398 50 10 JKGE C[C@@H](Br)c1ccccc1NC(=O)c1ccc(Cl)c(I)c1 2283656801 PGPZOXPYIBQCKC-SECBINFHSA-N 464.528 5.653 50 10 JKGE Fc1cc(Br)c(F)c(Br)c1[C@@H](Br)[C@@H]1CC2(CCC2)CO1 2288351524 CJRYJRJSOOMSRN-ONGXEEELSA-N 474.965 5.885 50 10 JKGE CC1(C)CCC(C)(C)[C@@H](Cc2cc(Cl)ccc2I)[C@H]1Br 2290332666 KEGTVPAOALGSHN-DZGCQCFKSA-N 469.632 6.713 50 10 JKGE CCOC(=O)c1ccsc1NC(=O)C(C#N)=Cc1ccc(OC)c(COc2ccc(F)cc2F)c1 2295672700 UQHISFGLEPPJOV-UHFFFAOYSA-N 498.507 5.336 50 10 JKGE C[C@@H](NC(=O)C(C#N)=C1N=C(NC(=O)c2ccc(C(C)(C)C)cc2)c2ccccc21)c1ccccc1 2296842978 RKXVPAYQXPNCKS-LJQANCHMSA-N 476.580 5.286 50 10 JKGE O=C(NN=Cc1ccc(N2N=C(C=Cc3ccccc3)C[C@H]2c2ccccc2)cc1)c1ccncc1 2297413535 WLZZNVJPWDXDQS-LJAQVGFWSA-N 471.564 5.866 50 10 JKGE N#CC(=Cc1cn(CCOc2ccc(Cl)cc2)c2ccccc12)C(=O)Nc1nc2ccccc2s1 2297500430 ZWMNDSYAMXFTJR-UHFFFAOYSA-N 498.995 6.529 50 10 JKGE Brc1cc(OCc2ccccc2)ccc1[C@@H](Br)C1CC(C2CC2)C1 2299535278 NIFDVPQTRNZGTL-BPZDKFOGSA-N 450.214 6.900 50 10 JKGE CC[C@H]1[C@H](Cc2ccc(I)c(Br)c2)CC[C@H]1Br 2306199054 IJQDKDYCDAVTRJ-SDDRHHMPSA-N 472.002 5.796 50 10 JKGE Brc1cc([C@@H](Br)[C@@H]2C[C@H]2C2CCCCC2)c(Br)s1 2311502115 ITWYIDWXROZUGJ-CWSCBRNRSA-N 457.069 6.926 50 10 JKGE N#CC(=Cc1cn(Cc2ccc(Cl)cc2Cl)c2ccccc12)C(=O)NCc1cccs1 2313540705 PMHDYTYYCKOZQN-UHFFFAOYSA-N 466.393 6.281 50 10 JKGE Cc1ccc(C)c(NC(=O)C(C#N)=Cc2cn(Cc3ccc(Br)cc3)c3ccccc23)c1 2313667520 ONAGUQHGOXGNNE-UHFFFAOYSA-N 484.397 6.615 50 10 JKGE COc1cc(C=C(C#N)c2ccccc2)ccc1OC(=O)c1c(-c2ccccc2Cl)noc1C 2314720475 QZAPFKFVGOERQL-UHFFFAOYSA-N 470.912 6.595 50 10 JKGE COc1cc(C=C(C#N)c2cccc(Cl)c2)ccc1OC(=O)COc1ccc(Cl)cc1Cl 2318356334 SVABGOMOCYBWLN-UHFFFAOYSA-N 488.754 6.704 50 10 JKGE Cc1ccc(-c2ccc(C(=O)NNC(=O)C=Cc3ccc(Cl)cc3Cl)c(C)n2)cc1C 2321103606 DEQIVVBXADRGDO-UHFFFAOYSA-N 454.357 5.455 50 10 JKGE COc1cc(C=C(C#N)c2nc(-c3cccs3)cs2)ccc1OCc1cc(C)ccc1C 2323832231 ZORMOGZCLLZCDS-UHFFFAOYSA-N 458.608 7.140 50 10 JKGE COc1ccc(C=C2Oc3c(ccc(OCc4cccc(CCl)c4)c3C)C2=O)c(OC)c1OC 2325363353 DOJGVLQAIRZDSZ-UHFFFAOYSA-N 480.944 5.955 50 10 JKGE O=C(c1cc(Br)c(Br)s1)N1CC[C@H]2C[C@@H](Br)CC[C@H]21 2328611760 RHRQHXQABUEUDV-OYNCUSHFSA-N 472.040 5.051 50 10 JKGE CC[C@@H](C)N1C(=O)c2ccc(C(O)=C(C#N)c3nc(-c4cc(C(C)(C)C)ccc4C)cs3)cc2C1=O 2331396365 QQYFGTRHRUVRHY-QGZVFWFLSA-N 499.636 6.760 50 10 JKGE CCOC(=O)Oc1ccc(C(O)=C(C#N)c2nc(-c3cc(Cl)c(OC)c(Cl)c3)cs2)cc1 2331396604 UVFIOLDLAANVLF-UHFFFAOYSA-N 491.352 6.611 50 10 JKGE CCCCc1ccc(-c2csc(C(C#N)=Cc3ccc(OCc4ccccc4Cl)cc3)n2)cc1 2331429259 ISWFWSNZTRCUBC-UHFFFAOYSA-N 485.052 8.449 50 10 JKGE Cc1c(F)ccc([C@@H](Br)c2ccc(OCc3ccccc3)cc2Br)c1Cl 2338768618 SABDGRDTURKBIS-FQEVSTJZSA-N 498.617 7.613 50 10 JKGE Clc1cccc([C@@H](CBr)Cc2ccc(Cl)cc2I)c1 2341028337 UKQZZSBDPQWVPI-GFCCVEGCSA-N 469.975 6.319 50 10 JKGE C[C@@H]1CC([C@H](Br)c2c(Cl)cc(Br)c(F)c2Br)C[C@@H](C)O1 2362227068 ZORLFAUTPAAKQV-QHMRUWFYSA-N 493.436 6.644 50 10 JKGE Fc1cccc(F)c1[C@@H](Br)c1c(Cl)cc(Br)c(F)c1Br 2362228683 FXLRJENQZPBJCE-NSHDSACASA-N 493.342 6.767 50 10 JKGE COc1c(Br)cc(C)c([C@H](Br)C[C@H]2CO[C@@H](C)C2)c1Br 2365191321 MYBKXCBFFZQCMX-GARJFASQSA-N 471.027 5.780 50 10 JKGE COc1c(Br)cc(C)c([C@H](Br)CC[C@H]2CCOC2)c1Br 2365237166 RRBKCJZWBVRULI-WDEREUQCSA-N 471.027 5.781 50 10 JKGE CC(C)(C)OC(=O)N[C@]12CCC(F)(F)C[C@@H]1CN(CCCCCCCBr)C2 2370149191 NYNTWQJGJBIKLV-APWZRJJASA-N 453.412 5.346 50 10 JKGE Cc1ccc(Br)c(COc2c(CBr)ccc(C)c2Br)n1 2380663555 DCOZVIHULINMNT-UHFFFAOYSA-N 463.995 5.697 50 10 JKGE COC(=O)c1ccccc1NC(=O)/C(C#N)=C\c1ccc(OC)c(OCc2ccccc2Cl)c1 1439542 RTKBQMQPUZBPEM-UYRXBGFRSA-N 476.916 5.260 50 10 JKGE COc1ccc(C[C@H]2S/C(=C(\C#N)C(=O)Nc3cccc(Cl)c3)N(c3ccccc3)C2=O)cc1 2332732 ZHWAUOKBOOEUSE-QPQMVVSWSA-N 489.984 5.414 50 10 JKGE CC[C@H](Oc1ccccc1[C@H](C)CC)C(=O)NNC(=O)COc1ccc(-c2ccccc2)cc1 10683690 JVBYGKUFWCZYIG-NLFFAJNJSA-N 460.574 5.251 50 10 JKGE CC[C@H](Oc1ccccc1[C@H](C)CC)C(=O)NNC(=O)c1ccc(OCc2ccccc2)cc1 10683858 RGTSPPDGMVUIHS-NLFFAJNJSA-N 460.574 5.398 50 10 JKGE CC(C)c1ccccc1OCC(=O)NNC(=O)c1ccc(NC(=O)c2ccc(C(C)(C)C)cc2)cc1 13980806 KGIGPKBUQQLZSB-UHFFFAOYSA-N 487.600 5.200 50 10 JKGE Cc1ccc(C(=O)Oc2ccc(/C=C(/C#N)C(=O)Nc3ccc(Cl)c(Cl)c3)cc2)cc1 33343176 AOXTWKCPNYMTRC-PDGQHHTCSA-N 451.309 6.067 50 10 JKGE CCCCOc1ccc(/C=C(/C#N)C(=O)Nc2scc(-c3ccccc3)c2C(=O)OCC)cc1 33346416 GSUYFCWLVWWDPU-PGMHBOJBSA-N 474.582 6.316 50 10 JKGE CCOC(=O)c1c(NC(=O)/C(C#N)=C\c2ccc3noc(-c4ccccc4)c3c2)sc(C)c1C 35515983 KFIDGQNENVGSTD-UNOMPAQXSA-N 471.538 5.896 50 10 JKGE CC(C)c1ccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)COc4ccc(C(C)(C)C)cc4)ccc32)cc1 38649580 HQJGCMFFPWZFMV-LJAQVGFWSA-N 496.607 6.310 50 10 JKGE CCCCOc1ccccc1C(=O)Oc1ccc2c(c1)OC(N)=C(C#N)[C@@H]2c1ccccc1OC 38650089 UKKBAZADNFGSNZ-AREMUKBSSA-N 470.525 5.311 50 10 JKGE N#CC1=C(N)Oc2cc(OC(=O)Cc3cccc4ccccc34)ccc2[C@@H]1c1ccc(Cl)cc1 38651378 DHBSXUMMDHZYPY-MHZLTWQESA-N 466.924 5.859 50 10 JKGE COc1ccccc1OCC(=O)Oc1ccc2c(c1)OC(N)=C(C#N)[C@@H]2c1cccc2ccccc12 38657693 QNBCRKPEPZLFRT-MUUNZHRXSA-N 478.504 5.051 50 10 JKGE CCCOc1cccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)[C@@H](C)Oc4ccc(F)cc4)ccc32)c1 38684447 ANVFVJYBYRPMBP-QUGAMOGWSA-N 488.515 5.206 50 10 JKGE Cc1cccc(Oc2nc3ccccn3c(=O)c2/C=C(/C#N)C(=O)Nc2ccccc2Cl)c1C 39858801 URQFZFGFARMXMS-JXAWBTAJSA-N 470.916 5.303 50 10 JKGE Cc1cccc(NC(=O)/C(C#N)=C\c2c(Oc3ccc(Cl)cc3Cl)nc3ccccn3c2=O)c1 39858843 SMZPWEPZRJYSCB-VBKFSLOCSA-N 491.334 5.648 50 10 JKGE N#C/C(=C/c1ccc(OCC(=O)Nc2c(Cl)cccc2Cl)cc1)c1nc2ccccc2[nH]1 50568388 TVAAAYYWQDURLA-VBKFSLOCSA-N 463.324 5.951 50 10 JKGE COc1cc(/C=C(\C#N)C(=O)Nc2ccc(C)cc2C)ccc1OCc1ccc(Cl)cc1Cl 59201901 HHBSSKGTUVEBBT-RGVLZGJSSA-N 481.379 6.744 50 10 JKGE O=C(N/N=C/c1ccccc1OCc1ccc([N+](=O)[O-])cc1)c1cc2cc(Br)ccc2o1 59305464 ZGNNUQFGLVHLHV-DHRITJCHSA-N 494.301 5.446 50 10 JKGE COc1cc(/C=C(/C#N)C(=O)NC2CCCCC2)ccc1OCC(=O)c1cc(C)c(C)cc1C 95949609 PASZDQAYGVQLFM-HMAPJEAMSA-N 460.574 5.238 50 10 JKGE CC1=C(C#N)C(=O)N([C@@H](C)c2ccccc2)C(=O)/C1=C/c1ccc(OCc2ccccc2F)cc1 101337934 DOKPAFJUJXBULC-KXWHUPIZSA-N 466.512 5.758 50 10 JKGE Cc1sc2ncn(CC(=O)/C(C#N)=C3/Nc4ccccc4S3)c(=O)c2c1-c1ccc(Cl)cc1 103908141 MSSQQKIPPHXGAS-JWGURIENSA-N 490.997 5.609 50 10 JKGE Cl[C@H](Cc1ccc(Br)cc1)c1cc(Br)sc1Br 109825533 NYZCDBPCRKPTJG-SNVBAGLBSA-N 459.428 6.558 50 10 JKGE COc1c(Cl)cc(/C=N/NC(=O)c2ccc3[nH]c(-c4ccccc4O)nc3c2)cc1Cl 169926486 HYXDRLFBOCOHIP-OPEKNORGSA-N 455.301 5.015 50 10 JKGE N#C/C(=C/c1ccc(OC(F)(F)[C@@H](F)C(F)(F)F)cc1)C(=O)Nc1ccccc1C(F)(F)F 213148620 AFUOBIUGQLGOMS-GKUQOKNUSA-N 482.302 6.123 50 10 JKGE N#C/C(=C/Nc1ccc2ccccc2c1)C(=O)N1CCN(C(c2ccccc2)c2ccccc2)CC1 216501549 UWURUUPXAJWPHS-NFFVHWSESA-N 472.592 5.593 50 10 JKGE CCOc1ccc(C)cc1[C@H](C)NC(=O)/C(C#N)=C\Nc1ccc(I)cc1C 217184620 WYIBAFQYEWEUKZ-MUBYSKIDSA-N 489.357 5.004 50 10 JKGE CCCCOC(=O)c1ccccc1NC(=O)/C(C#N)=C\Nc1ccc(C)cc1Br 217241095 QIJAUXPEJANRIF-PEZBUJJGSA-N 456.340 5.173 50 10 JKGE Cc1cc([C@@H](Br)c2cccc(Br)c2F)c(C)cc1Br 235866518 PJVVYKQFDVMSIG-AWEZNQCLSA-N 450.971 6.452 50 10 JKGE Cc1sc([C@@H](Br)c2cc(Cl)ccc2Br)cc1Br 235971247 XXOHAKPYJVKZRF-LBPRGKRZSA-N 459.428 6.719 50 10 JKGE C[C@@H]1C[C@@H](O[C@H](CI)c2ccccc2Br)CC(C)(C)C1 253119888 HSSVUOQWGQDUEC-XJKCOSOUSA-N 451.186 6.157 50 10 JKGE Cc1nc2ccccn2c1C(=O)NN=Cc1c(-c2ccccc2)n(-c2ccccc2)c2ccccc12 254527188 DNGXMOKYSDRHOI-UHFFFAOYSA-N 469.548 6.018 50 10 JKGE FC(F)(F)c1csc([C@@H](Cl)c2csc(I)c2)c1Br 302626452 PDZXIAWTFUEFBK-QMMMGPOBSA-N 487.531 6.524 50 10 JKGE COc1ccc([C@@H](Br)c2cc(Cl)c(C)cc2Br)c(Br)c1 380611391 PWCGNTKDUVXTSV-OAHLLOKOSA-N 483.425 6.666 50 10 JKGE COc1cc([C@@H](Br)c2cc(Br)sc2Br)cc(OC)c1C 394268541 KODYYMLIXQYPED-CYBMUJFWSA-N 485.035 6.083 50 10 JKGE CC(C)(C)[Si](C)(C)OCCc1cccc([C@H]2CCN(CCO[Si](C)(C)C(C)(C)C)C2)c1 616613057 WMSUVCZQKAJRBL-DEOSSOPVSA-N 463.855 7.062 50 10 JKGE COc1cc(F)c(Br)cc1[C@@H](Cl)c1cccc(F)c1I 721698093 NNBDJFIAXLJJFA-ZDUSSCGKSA-N 473.482 5.669 50 10 JKGE O=C(NCCCc1ccccc1)[C@H](c1cccs1)N(C(=O)CCl)c1cccc(C(F)(F)F)c1 725238323 RRWONYWEXPWPFK-QFIPXVFZSA-N 494.966 5.829 50 10 JKGE CCOc1cc(C=NNC(C)=O)cc(Br)c1OCc1ccc(Cl)cc1Cl 725411640 WQZVSVQRAAPJKA-UHFFFAOYSA-N 460.155 5.204 50 10 JKGE C=CCc1cc(C=NNC(=O)CC[C@@H](O)c2ccccc2)cc(OC)c1OCc1ccc(C)cc1 1084062697 XWIRWYSQRZUEAI-AREMUKBSSA-N 472.585 5.275 50 10 JKGE CCCCCCCCCCOc1ccc(C(=O)NN=Cc2ccc(N3CCCC3)cc2C)cc1 1084178767 LYEMRDOQTOHKCM-UHFFFAOYSA-N 463.666 6.879 50 10 JKGE COc1ccc(Oc2ccc(C(F)(F)F)cc2[N+](=O)[O-])c(C=NNC(=O)c2ccccc2)c1 1084229891 BWBJACHVLCDXDO-UHFFFAOYSA-N 459.380 5.178 50 10 JKGE COc1cc(C=NNC(=O)c2cc3ccccc3o2)c(Br)cc1OCc1ccc(C)cc1 1084318501 GXCSYDQLWSXKHR-UHFFFAOYSA-N 493.357 5.855 50 10 JKGE Cc1ccc(-n2c(C)c(Br)c(C=NNC(=O)[C@H](C)SCc3ccccc3)c2C)cc1 1084416709 ZPCFPQKOZVZJMC-IBGZPJMESA-N 484.463 5.937 50 10 JKGE C[C@@H](SCc1ccccc1)C(=O)NN=C1C(=O)N(Cc2c(Cl)cccc2Cl)c2ccccc21 1084452256 GMSYGQOZRFEFPD-MRXNPFEDSA-N 498.435 5.682 50 10 JKGE Cc1c(C(=O)Oc2ccc3ccccc3c2)oc2c1C(=NNC(=O)c1ccccc1Cl)CCC2 1772743574 BXYKLIMZXMORCI-UHFFFAOYSA-N 472.928 6.084 50 10 JKGE Cc1c(C(=O)NN(c2ccccc2)c2ccccc2)oc2c1C(=NNC(=O)c1ccccc1F)CCC2 1772744660 ZSCZMHQDMVEACL-UHFFFAOYSA-N 496.542 5.681 50 10 JKGE COc1cccc(C=NNC(=O)CSc2nc3ccccc3s2)c1OCc1ccc(Cl)cc1 1772760397 IURDCVFEUQKNKC-UHFFFAOYSA-N 498.029 5.780 50 10 JKGE Clc1cc(CBr)cc(-c2c(Cl)c(Cl)c(Cl)c(Cl)c2Cl)c1 1848369659 ZNXALKJUYAZRJF-UHFFFAOYSA-N 453.805 8.169 50 10 JKGE Cc1c(Cl)cccc1NC(=O)[C@H](C)Oc1cccnc1NC(=O)Nc1ccc(SC#N)cc1 1858837641 CXBKXJSQXNAFGY-HNNXBMFYSA-N 481.965 5.667 50 10 JKGE N#CSc1ccc(NC(=O)Oc2ccc(CNC(=O)c3ccc(Cl)c(Cl)c3)cc2)cc1 1858897448 ZCQHAESIKVGCOX-UHFFFAOYSA-N 472.353 6.107 50 10 JKGE CCCOc1cccc([C@@H]2C(C#N)=C(N)Oc3c2c(-c2ccc(OC)cc2)nn3CC(C)C)c1 1865694280 SFJICAVODGJBGE-HSZRJFAPSA-N 458.562 5.222 50 10 JKGE Cc1nn(Cc2ccc(Cl)c(Cl)c2)c2c1[C@H](c1ccccc1OC(C)C)C(C#N)=C(N)O2 1865705278 QIARIJRZTDQJEB-JOCHJYFZSA-N 469.372 5.552 50 10 JKGE N#CC1=C(N)Oc2c(c(-c3ccccc3)nn2-c2cccc3ccccc23)[C@H]1c1ccc(F)cc1 1865707737 DYUDGXAQMXDQAC-VWLOTQADSA-N 458.496 6.050 50 10 JKGE COc1cccc([C@H]2C(C#N)=C(N)Oc3c2c(-c2ccccc2)nn3-c2ccc(Cl)c(Cl)c2)c1 1865711823 ISHSGXGBEYJUSG-QFIPXVFZSA-N 489.362 6.073 50 10 JKGE Cc1nc(-c2ccc(Cl)c(Cl)c2)ccc1C(=O)NNC(=O)c1cccc(Br)c1 1865759205 NJGNUQSEYMMZPM-UHFFFAOYSA-N 479.161 5.201 50 10 JKGE CCCC[C@@H](NC(=O)[C@@H](c1ccc(C(C)C)cc1)C(C)C)C(=O)Nc1ccc(SC#N)cc1 1866964238 SSEXPVIBXVMQKB-JWQCQUIFSA-N 465.663 6.436 50 10 JKGE Cc1ccc(-c2nc(Nc3ccc(SC#N)cc3)cc(N3CCO[C@H](c4ccccc4)C3)n2)cc1 1868320627 MLRKYXKJTKDUEL-VWLOTQADSA-N 479.609 6.347 50 10 JKGE CCCc1nc(Nc2ccc(SC#N)cc2)cc(N2CCc3ccccc3[C@H]2c2cccc(F)c2)n1 1868389186 RDQUFEODFFAHEC-GDLZYMKVSA-N 495.627 7.037 50 10 JKGE CCc1ccc(-c2csc(/C(C#N)=C(\O)c3cc(C(F)(F)F)cc(C(F)(F)F)c3)n2)cc1 1872744152 IHUDUJQCYKTANA-ZPHPHTNESA-N 468.422 7.360 50 10 JKGE COc1c(C)cc(C)cc1-c1csc(/C(C#N)=C(\O)COc2ccc(Cl)cc2Cl)n1 1872754871 MUSOSPGRWKSWLD-MNDPQUGUSA-N 461.370 6.614 50 10 JKGE CCOc1cc(/C=C(\C#N)c2nc(-c3ccccc3OC)cs2)ccc1OCC(=O)N(CC)CC 1872784475 OAENLTKCIMFTAS-XSFVSMFZSA-N 491.613 5.529 50 10 JKGE Cc1csc(CBr)c1S(=O)(=O)N(Cc1ccccc1)Cc1ccccc1 1880810000 NKVONVAEPWAJFA-UHFFFAOYSA-N 450.423 5.343 50 10 JKGE C[C@@H](CCCl)N(Cc1ccccc1)C(=O)c1c(Br)cccc1Br 1915082224 IUWRMLORNGQJLV-ZDUSSCGKSA-N 459.609 5.871 50 10 JKGE CC[C@@H](Br)CN(Cc1ccccc1)C(=O)c1ccccc1I 1915123752 AZOJDEKVCPJQII-OAHLLOKOSA-N 472.164 5.107 50 10 JKGE Cc1c(Br)sc([C@@H](Br)[C@@H]2C(C)(C)C2(F)F)c1Br 1922935830 SPKLULSYBPQQCR-HTRCEHHLSA-N 452.984 6.309 50 10 JKGE Cc1c(Br)sc([C@H](Br)Cc2cccc(Cl)c2)c1Br 1922955172 WZTJRPJFHSJMIV-SNVBAGLBSA-N 473.455 6.914 50 10 JKGE CC1(C)CCC[C@H]1[C@@H](Br)c1c(Br)sc(Br)c1Cl 1923071380 IPDXTXLYCLWWEN-POYBYMJQSA-N 465.476 7.189 50 10 JKGE FC(F)(F)[C@H](Br)c1c(Br)sc(Br)c1Br 1924575730 FEDPYTGCWKLOIG-GSVOUGTGSA-N 481.751 6.034 50 10 JKGE FC(F)(F)C(F)(F)[C@@H](Cl)c1c(Br)sc(Br)c1Br 1924583881 QECFGIUZMDPEPM-VKHMYHEASA-N 487.307 6.513 50 10 JKGE C[C@@H]1Cc2cc([C@H](Br)c3csnc3Br)cc(Br)c2O1 1925270155 KJKOSYVJGHOFML-KBUNVGBDSA-N 468.008 5.476 50 10 JKGE Cl[C@H](c1cscc1OCc1ccccc1)c1sc(Br)cc1Br 1934829839 BDJGQVKMGHLGLP-OAHLLOKOSA-N 478.658 7.242 50 10 JKGE CC[C@H]1CN(c2cc(Br)ccc2CBr)CCN1Cc1ccccc1 1946743733 FFCSUFUHRAUXIL-IBGZPJMESA-N 452.234 5.445 50 10 JKGE Fc1cc(Cl)c(Br)cc1[C@@H](Br)c1sncc1Br 1948502521 UYTMBTGMZZGUON-SECBINFHSA-N 464.379 5.945 50 10 JKGE O=C(NOCCCNC(=O)c1ccc(CCl)cc1)OCC1c2ccccc2-c2ccccc21 1977668697 ONNIHSBJMZEBJF-UHFFFAOYSA-N 464.949 5.016 50 10 JKGE CCc1sc(Br)cc1[C@@H](Br)c1c(F)cccc1Br 2030223565 UUXLOTAGQXMBSI-CYBMUJFWSA-N 457.000 6.459 50 10 JKGE COc1sc([C@H](Br)c2cc(Br)ccc2C)cc1Br 2034630849 ZFFJQBCWEXUSGU-GFCCVEGCSA-N 455.009 6.074 50 10 JKGE Brc1cc([C@H](Br)[C@@H]2CC3(CCCC3)CO2)sc1Br 2047505635 IGLULDXWFYJYBW-GXSJLCMTSA-N 459.041 6.058 50 10 JKGE CC1=C(Br)CCN(c2c(CBr)ccc(Br)c2Cl)C1 2077213444 BDINHAYNJQRWEX-UHFFFAOYSA-N 458.419 5.876 50 10 JKGE Br[C@@H](c1cc(I)sn1)c1ccc(-c2cccs2)s1 2085084172 SYUURVMVIYNBDV-LBPRGKRZSA-N 468.204 6.022 50 10 JKGE Fc1ccc([C@@H](Br)c2c(Br)cccc2Br)c(F)c1Cl 2094099097 JZPSXZQIPUULCE-LLVKDONJSA-N 475.352 6.628 50 10 JKGE BrCc1cc(Br)ccc1N1CC[C@@]2(CCCN(Cc3ccccc3)C2)C1 2107017406 MAYUZFWAIFAJEF-JOCHJYFZSA-N 478.272 5.837 50 10 JKGE CC1(C)CCC[C@@H](Oc2c(Br)cc(Br)cc2CBr)C1 2107524511 PLNHAYMIVADXIJ-GFCCVEGCSA-N 455.028 6.454 50 10 JKGE Fc1c(Cl)cccc1C[C@@H](Br)c1ccc(Br)cc1Br 2113464234 UOBWYNDOEQNLAK-LLVKDONJSA-N 471.389 6.683 50 10 JKGE C[C@@H]1Cc2cc([C@@H](Br)c3cc(Br)cs3)cc(Br)c2O1 2115939501 FAJWWAUSEWKHIT-FUXBKTLASA-N 467.020 6.081 50 10 JKGE Cc1cc(Br)c(C)c([C@H](Br)[C@@]23CC[C@@H](CO2)C3)c1Br 2136382227 POTWNFMUWTWBGB-ONERCXAPSA-N 453.012 5.834 50 10 JKGE Fc1cc(CBr)cc(OCc2ccc(I)c(Cl)c2)c1 2142945178 FGOAGDUJWYAZFJ-UHFFFAOYSA-N 455.492 5.558 50 10 JKGE Fc1ccc2nc(CCl)n([C@H]3CCOC[C@@H]3OCc3ccccc3)c2c1Br 2146519495 HFNQJOZFEXPLJV-IRXDYDNUSA-N 453.739 5.224 50 10 JKGE C[C@@H](Cl)c1nc2cncc(Br)c2n1CCCOCCOCc1ccccc1 2151794259 XIYHEXQVWPTZTH-OAHLLOKOSA-N 452.780 5.117 50 10 JKGE O=S(=O)(c1ccc(CCl)cc1Br)N(Cc1ccccc1)CC1CCCCC1 2152152629 CXVQILVNUAJLRZ-UHFFFAOYSA-N 470.860 5.959 50 10 JKGE Fc1cc(Br)cc(N2CCC[C@@H]2[C@H]2CCN(Cc3ccccc3)C2)c1CCl 2170694981 ZIYGQVGCLNPZRJ-LAUBAEHRSA-N 451.811 5.818 50 10 JKGE Brc1ccc(CN2CC[C@@H]3CC[C@@H](Br)C[C@@H]3C2)c(Br)c1 2204114766 SKRJFJDTCWKWMF-IACUBPJLSA-N 466.055 5.597 50 10 JKGE Cl[C@@H](Cc1sc(Br)c(Br)c1Br)CC1CCCC1 2216421455 REWWJUWXUUEIBH-MRVPVSSYSA-N 465.476 6.766 50 10 JKGE Cc1cc(Br)c([C@@H](Cl)c2nscc2Br)c(C)c1Br 2220144566 HSSMCVSXYODEOA-LLVKDONJSA-N 474.443 6.376 50 10 JKGE CCN(C[C@](C)(CI)OCC1(C)CC2(CCC2)C1)C(=O)OC(C)(C)C 2220948251 JAALKOJWGLAOLV-IBGZPJMESA-N 465.416 5.424 50 10 JKGE COc1ccc(Br)c(CBr)c1OCc1csc(Br)c1 2227730170 ULMJOCVIXCNILK-UHFFFAOYSA-N 471.008 5.756 50 10 JKGE CC1(C)CCC[C@@H]([C@H](Br)c2c(Br)cc(Cl)c(Cl)c2Cl)C1 2232510830 IFNWSUFLTZFWNX-PELKAZGASA-N 463.468 8.062 50 10 JKGE Fc1cc(Br)c(Br)cc1[C@H](Br)c1cccc(C(F)F)c1 2233974314 DVZFTXUOCQGPEZ-CYBMUJFWSA-N 472.924 6.773 50 10 JKGE Cc1ccc(C)c(C[C@@H](Br)c2cc(Br)c(Br)cc2F)c1 2233974618 GCPXNLQXEOCWMU-CYBMUJFWSA-N 464.998 6.646 50 10 JKGE COc1cc(Br)c([C@@H](Br)c2cc(F)cc(Br)c2)cc1C 2236006143 BJBXBJGQGXBVIU-HNNXBMFYSA-N 466.970 6.152 50 10 JKGE O=C(Nc1ccc(Cl)cc1CBr)c1ccc(Br)cc1Br 2239462828 LYGJWHLBDIXANO-UHFFFAOYSA-N 482.397 6.012 50 10 JKGE COC1([C@@H](Cl)c2c(Br)sc(Br)c2Br)CC(C)C1 2247434033 NJNGCOCMRGISBI-QHCBANEHSA-N 467.448 6.131 50 10 JKGE Fc1cc([C@H](Br)Cc2cccc(Br)c2)c(Cl)cc1Br 2267800989 YGFVHKKEAHEDOX-LLVKDONJSA-N 471.389 6.683 50 10 JKGE COc1c([C@H](Br)[C@H]2C[C@@H](Br)C2)cc(Br)c2c1CCC2 2269170085 BZBKSUMCVYJNID-TVLCNXBWSA-N 453.012 5.556 50 10 JKGE COc1ccc([C@@H](Br)Cc2cccc(Br)c2)cc1I 2269556427 OSQKHVGUPKANFG-ZDUSSCGKSA-N 495.980 5.741 50 10 JKGE C[C@H](Br)CN(Cc1ccc(Br)cc1Br)CC(C)(C)C 2272522220 YTSZFJYMJCKUOV-NSHDSACASA-N 456.060 5.843 50 10 JKGE COc1ccc([C@H](Cl)c2cc(Br)sc2Br)c(Cl)c1OC 2283448556 GLOOLVSTMSXOBQ-JTQLQIEISA-N 461.002 6.272 50 10 JKGE C=CCC1(CBr)CCN(C(=O)c2cc(Br)sc2Br)CC1 2287756006 RDBCGSQOBTXRQB-UHFFFAOYSA-N 486.067 5.467 50 10 JKGE FC[C@]12C[C@]([C@@H](Br)c3c(F)cc(Br)c(F)c3Br)(CO1)C2 2288487786 ALOAAQFUEUJOEM-AVGNSLFASA-N 478.928 5.445 50 10 JKGE Cc1sc([C@H](Br)c2c(F)cc(Br)c(F)c2Br)c(C)c1C 2288488886 NJZXXUFYCPWUST-GFCCVEGCSA-N 489.017 6.961 50 10 JKGE Cc1ccccc1NC(=O)C(C#N)=Cc1ccc(-c2ccc([N+](=O)[O-])cc2Br)o1 2294168334 FLDIHRLSVJUIIJ-UHFFFAOYSA-N 452.264 5.471 50 10 JKGE CCOc1ccccc1NC(SCc1ccc(C)cc1C)=C(C#N)C(=O)NCc1ccccc1 2297414574 MXITWQFKPQWWGS-UHFFFAOYSA-N 471.626 6.099 50 10 JKGE Cc1cccc(C)c1NC(=O)C(C#N)=C1S[C@@H](Cc2cccc(Cl)c2)C(=O)N1c1ccccc1 2297462702 ZVIFZAKZKQVENH-QHCPKHFHSA-N 488.012 6.022 50 10 JKGE CC(C)C[C@@H]1C[C@H]1[C@H](Br)c1ccc(OCc2ccccc2)cc1Br 2299487976 BPXDAQHHKYVUOC-OZOXKJRCSA-N 452.230 7.146 50 10 JKGE Clc1ccccc1[C@@H](Br)c1cc(Br)ccc1OCc1ccccc1 2299492331 HXTAVVRVXVCRNP-HXUWFJFHSA-N 466.600 7.166 50 10 JKGE Brc1ccc(OCc2ccccc2)c([C@@H](Br)[C@@H]2C[C@H]2C2CCC2)c1 2299499768 ZWLLRAOFZQYSEY-UEXGIBASSA-N 450.214 6.900 50 10 JKGE COCc1ccc([C@@H](Br)c2cc(Br)c(Br)s2)s1 2299900518 ZFFAARYBZGOPGB-SNVBAGLBSA-N 461.038 5.965 50 10 JKGE Cc1cc(Br)c([C@H](Cl)c2c(Br)c(Br)nn2C)s1 2301044602 SJEXQNGWOYKZSY-SSDOTTSWSA-N 463.420 5.406 50 10 JKGE CCCOc1c(I)cc(C=C(C#N)C(=O)Nc2cccc(C)c2)cc1OCC 2313518615 LMWGOBNDYMTPBO-UHFFFAOYSA-N 490.341 5.333 50 10 JKGE CCOc1cc(C=C(C#N)C(=O)NCc2cccs2)ccc1OCc1ccc(Cl)cc1Cl 2313540479 CDNLXYWRDBQKSZ-UHFFFAOYSA-N 487.408 6.256 50 10 JKGE CC1(C)OCCO[C@H]1[C@H](Br)c1ccc(OCc2ccccc2)cc1Br 2314442230 AVBCYVWOCRIYPK-MOPGFXCFSA-N 470.201 5.658 50 10 JKGE Brc1cc(OCc2ccccc2)ccc1[C@H](Br)[C@@H]1C[C@H]2C[C@H]1[C@@H]1C[C@H]21 2314458652 GVZMJLDCIYOIJS-OVLRATJMSA-N 462.225 6.756 50 10 JKGE N#CC(=Cc1ccc(-c2cc(Cl)cc(Cl)c2)o1)C(=O)Nc1cccc(C(F)(F)F)c1 2314480525 FOJLTACEJZFKCF-UHFFFAOYSA-N 451.231 6.818 50 10 JKGE Cc1cccc(C[C@H]2SC(=C(C#N)C(=O)Nc3ccccc3)N(c3ccc(C)c(C)c3)C2=O)c1 2314592041 KMMQVTATUIJVFL-RUZDIDTESA-N 467.594 5.677 50 10 JKGE FCC1([C@H](Br)c2c(Cl)cc(Br)c(F)c2Br)CCC1 2315441242 FDPFCDKWCRPQKE-LLVKDONJSA-N 467.373 6.580 50 10 JKGE Fc1c(Br)cc(Cl)c([C@@H](Br)CC2CCCC2)c1Br 2315458166 KCHGFTDNHMRFAZ-QMMMGPOBSA-N 463.410 7.020 50 10 JKGE CC(C)(C1CCCCC1)[C@H](Br)c1sc(Cl)cc1I 2316659139 PSAHSGNVAFSNRG-CYBMUJFWSA-N 461.634 7.049 50 10 JKGE CCc1cc(C)sc1[C@H](Br)c1ccc(Cl)cc1I 2317773266 BRXSRPJDUVQHFN-CYBMUJFWSA-N 455.586 6.361 50 10 JKGE CCOc1cc(C=NNC(=O)c2ccc3[nH]c4c(c3c2)CCCC4)cc(Cl)c1OC(C)C 2318414952 JJPZQTZAHRVMMS-UHFFFAOYSA-N 453.970 5.650 50 10 JKGE COc1ccc([C@H](Br)c2csc(C)c2Br)cc1Br 2320480486 HLFGQWSJXXROAN-ZDUSSCGKSA-N 455.009 6.074 50 10 JKGE CCc1cccc(CC)c1N1C[C@@H](C(O)=C(C#N)c2nc(-c3cc(C)ccc3OC)cs2)CC1=O 2331323545 CEGVSSZYHJYHSC-FQEVSTJZSA-N 487.625 6.098 50 10 JKGE N#CC(=C(O)c1cc(S(=O)(=O)N2CCCCC2)ccc1Cl)c1nc(-c2cccs2)cs1 2331326493 BHRRYMMRPGMDMB-UHFFFAOYSA-N 492.047 5.649 50 10 JKGE N#CC(=C(O)CCCOc1ccc(Cl)cc1Br)c1nc(-c2cccs2)cs1 2331326898 QLFVJPSRLUOJER-UHFFFAOYSA-N 481.824 6.939 50 10 JKGE Cc1ccc(C)c(N2C(=O)c3ccc(C(O)=C(C#N)c4nc(-c5ccc(F)cc5)cs4)cc3C2=O)c1 2331342478 ATXLDLATFBSRJD-UHFFFAOYSA-N 495.535 6.317 50 10 JKGE Cc1cc(C)c(-c2csc(C(C#N)=C(O)c3cc([N+](=O)[O-])cc([N+](=O)[O-])c3C)n2)c(C)c1 2331394442 ITQPPCREGCARPO-UHFFFAOYSA-N 450.476 5.810 50 10 JKGE CCOc1cc(C=C(C#N)c2nc(C(C)C)cs2)ccc1OCc1c(Cl)cccc1Cl 2331451020 CPLPZPZBLSVLPC-UHFFFAOYSA-N 473.425 7.615 50 10 JKGE Cc1cc(C)c(C)c(-c2csc(C(C#N)=Cc3ccccc3OCc3ccccc3Cl)n2)c1C 2331468401 HQHMQYIUYDWXMS-UHFFFAOYSA-N 485.052 8.340 50 10 JKGE COC(=O)c1c(NC(=O)[C@@H](C)Oc2ccc(Cl)cc2Cl)sc(C(C)=CC#N)c1C 2331562115 GXSPOZJUWBEIDU-GFCCVEGCSA-N 453.347 5.483 50 10 JKGE Cc1ccc(F)c([C@@H](Br)c2cc(Br)ccc2OCc2ccccc2)c1F 2336074728 JFXZAWKFSUPAAD-FQEVSTJZSA-N 482.162 7.099 50 10 JKGE Fc1c(Br)cc(Cl)c([C@@H](Br)[C@@H]2C[C@@H]3CC[C@H]2O3)c1Br 2337083107 UTKRFRJDYFTBRY-QUYDWZKXSA-N 477.393 6.008 50 10 JKGE Fc1c(Br)cc(Cl)c([C@@H](Br)C2CC3(COC3)C2)c1Br 2337096706 IIFDHNWMTFLANK-JTQLQIEISA-N 477.393 5.867 50 10 JKGE C[C@@H]1C[C@@H]1[C@@H]1C[C@H]1[C@H](Br)c1c(Cl)cc(Br)c(F)c1Br 2337104864 RQHOUVSHYTUENT-YGKONGJQSA-N 475.421 6.732 50 10 JKGE COc1ccc(OC)c([C@H](Br)c2sc(Cl)cc2I)c1 2338559117 SLMMWOALOBBITB-LBPRGKRZSA-N 473.557 5.508 50 10 JKGE COc1c(Br)cc(C)c([C@@H](Br)[C@@]2(Cl)CC2(C)C)c1Br 2339660124 ZROLADNQNXXKFA-OCCSQVGLSA-N 475.446 6.372 50 10 JKGE CC(C)(C)[C@H]1[C@H](Cl)CCN1Cc1ccc(I)c(Br)c1 2349836084 LDHAFDVQHVNDFL-TZMCWYRMSA-N 456.593 5.282 50 10 JKGE C[C@@H]1CCC[C@](CCl)(Cc2ccc(I)c(Br)c2)CC1 2349838035 AEWSMPOAJHSXIQ-MLGOLLRUSA-N 455.605 6.422 50 10 JKGE CC1(C)CC(CBr)(COCc2cc(I)ccc2Cl)C1 2352274615 ZLIZGYYBGHPRST-UHFFFAOYSA-N 457.577 5.663 50 10 JKGE COc1c(F)c(F)cc([C@@H](Cl)c2cc(Br)c(Br)s2)c1F 2361161191 QGRSVLAPHVVMNS-MRVPVSSYSA-N 450.501 6.027 50 10 JKGE Fc1c(Br)cc(Cl)c([C@@H](Br)[C@@H]2CC[C@@H]3[C@H]2C3(F)F)c1Br 2362227583 HBSQKRBQVKJQOW-LBAYDFSESA-N 497.374 6.731 50 10 JKGE Fc1cc(CBr)c(N2CC[C@@H]3[C@@H](CCCN3Cc3ccccc3)C2)cc1Cl 2362389723 WXIQNORPKAGXAZ-LAUBAEHRSA-N 451.811 5.865 50 10 JKGE COc1c(Cl)cc(Br)cc1[C@H](Br)c1c(Br)nc(C)n1C 2362487321 NUBWLIVGQKHJIQ-JTQLQIEISA-N 487.417 5.400 50 10 JKGE COc1ccc(C[C@H](Br)c2sc(Cl)cc2I)cc1OC 2363891580 IXGKXDXCNJASKM-VIFPVBQESA-N 487.584 5.702 50 10 JKGE COc1c(Br)cc(C)c([C@H](Br)[C@H]2C[C@H]3CC[C@H]2O3)c1Br 2365234756 KAFFEEHEYFWBFK-INTNWOOBSA-N 469.011 5.532 50 10 JKGE Cc1c(Br)ccc([C@H](Br)c2cccc(C(C)C)c2)c1Br 2369695082 ZOIYELRPAVVTSR-QGZVFWFLSA-N 461.035 7.128 50 10 JKGE CCSc1ccsc1[C@H]1C(C#N)=C(N)N(c2cccc(Br)c2)C2=C1C(=O)CCC2 9981628 YKWSJWBQZUNRKZ-IBGZPJMESA-N 486.460 5.927 50 10 JKGE O=C(N/N=C/c1ccc(OCc2ccc(F)cc2)o1)c1cccc(NC(=O)c2ccc(F)cc2)c1 20291553 VWLABQUOOMUSPZ-WKULSOCRSA-N 475.451 5.153 50 10 JKGE N#C/C(=C/c1ccccc1I)c1nc(-c2ccc(Cl)cc2Cl)cs1 33398813 PMCDKCGIMBAXQN-GHXNOFRVSA-N 483.161 6.786 50 10 JKGE Cc1ccc(Oc2nc3c(C)cccn3c(=O)c2/C=C(/C#N)c2nc3ccccc3s2)c(C)c1 33590284 AEDZKEQYCZAKDX-RGEXLXHISA-N 464.550 6.086 50 10 JKGE CCOc1cccc(-c2nn(-c3ccccc3)cc2/C=C(/C#N)S(=O)(=O)c2ccccc2)c1 35446456 BGAWHEHUZYKYFT-UQQQWYQISA-N 455.539 5.276 50 10 JKGE CCCOc1ccc(/C=C(\C#N)C(=O)Nc2sc(C)c(-c3ccc(F)cc3)c2C(=O)OC)cc1 40939453 XXLHMAJEICKTRK-XMHGGMMESA-N 478.545 5.984 50 10 JKGE N#C/C(=C/c1cc(Br)ccc1OCc1ccccc1F)C(=O)Nc1cccc(Cl)c1 59117029 DJAYGNFVRXFUQL-YVLHZVERSA-N 485.740 6.366 50 10 JKGE Fc1cc(Br)c(Cl)cc1[C@@H](Br)c1ccc(Br)s1 97896067 HTFVWTHMXOALMG-LLVKDONJSA-N 463.391 6.550 50 10 JKGE Cc1ccc(N/C=C(/C#N)c2nc(-c3cccc(Br)c3)cs2)c(Br)c1 102420482 SJWHKTXMBCYEQO-UVTDQMKNSA-N 475.209 6.620 50 10 JKGE Cc1ccccc1NC(=O)/C(C#N)=C1/S[C@@H](Cc2ccccc2Cl)C(=O)N1c1ccccc1C 102666993 DVLJOTBNENLWSE-QNJFXAKOSA-N 488.012 6.022 50 10 JKGE Cc1cc(Oc2nc3c(C)cccn3c(=O)c2/C=C(/C#N)C(=O)NCCc2ccccc2)ccc1Cl 102990871 FOVZFOXWIKYLPF-PGMHBOJBSA-N 498.970 5.023 50 10 JKGE COc1c(Br)cc(Cl)cc1[C@@H](Br)c1ccc(Cl)c(Cl)c1 109836668 KXUQAPKUNNQEFN-ZDUSSCGKSA-N 459.392 6.902 50 10 JKGE COc1ccc([C@@H](Cl)c2cc(Br)c(Br)s2)c(OC)c1OC 128285959 RAETULBWHDNQQV-LLVKDONJSA-N 456.583 5.627 50 10 JKGE COc1ccc([C@@H](Cl)c2cc(Br)ccc2Br)c(OC)c1Br 161125749 MLXZHXGAUVDQAN-CQSZACIVSA-N 499.424 6.320 50 10 JKGE Clc1cnccc1C[C@@H](Br)c1cc(Br)c(Br)s1 167037880 XFCRTPOSCZRLGN-SSDOTTSWSA-N 460.416 6.000 50 10 JKGE CCOC(=O)/C(C#N)=C\c1ccc(OC(=O)COc2ccc(-c3ccc(C)cc3)cc2)c(OCC)c1 206290619 XZWUSBIGSWQRLX-JLPGSUDCSA-N 485.536 5.515 50 10 JKGE COc1ccc(-c2nn(-c3ccccc3)cc2/C=C2\C(=O)N(CC(C)C)C(=O)C(C#N)=C2C)cc1C 214271377 XDITYABHIFNPRI-OYKKKHCWSA-N 480.568 5.105 50 10 JKGE N#C/C(=C/Nc1cc(Cl)ccc1Cl)C(=O)N1CCN(C(c2ccccc2)c2ccccc2)CC1 216487189 HLQCNQFXCBWNHZ-QOCHGBHMSA-N 491.422 5.747 50 10 JKGE COc1ccc([C@H](Cl)c2ccc(I)c(Cl)c2)cc1Br 232341103 WPXLOQNPCVPEBK-AWEZNQCLSA-N 471.947 6.044 50 10 JKGE COc1cc(C)c(Br)cc1[C@H](Br)c1csc(Br)c1 234806078 WQTAUBZEZNYABB-CYBMUJFWSA-N 455.009 6.074 50 10 JKGE Cc1cc([C@@H](Br)c2cc(Br)cc(Br)c2)c(Cl)cc1F 235861964 AVDOSPWTFUAWQQ-AWEZNQCLSA-N 471.389 6.797 50 10 JKGE Cc1ccc([C@H](Br)c2cc(Br)c(Br)s2)c(Cl)c1 235908697 RZKWNELUMVSFDD-NSHDSACASA-N 459.428 6.719 50 10 JKGE O=C(c1cc(Cl)ccc1I)N(CCBr)C1CCCCC1 236064972 ZMXCHZPLAYMJNM-UHFFFAOYSA-N 470.576 5.114 50 10 JKGE Fc1ccc(C[C@@H](Br)c2cc(I)ccc2Br)cc1 236153661 FTPUINOCZPPDGZ-CQSZACIVSA-N 483.944 5.872 50 10 JKGE CC(C)[C@H]1CC[C@@H](C)C[C@H]1O[C@H](CI)c1ccccc1Br 253128111 MUQRAUVIVADRAV-DTTOXWODSA-N 465.213 6.403 50 10 JKGE CC(=NNC(=O)c1cc(-c2ccc(OCc3ccc(C)cc3)cc2)n[nH]1)c1ccc2ccccc2c1 254461808 AAZVTMOFGMQUBP-UHFFFAOYSA-N 474.564 6.271 50 10 JKGE CC(=NNC(=O)CSc1nnc(-c2ccc(C(C)(C)C)cc2)n1-c1ccccc1)c1ccco1 254763087 JKVJVIBMDYBNKQ-UHFFFAOYSA-N 473.602 5.457 50 10 JKGE CCOc1ccc(OC)cc1C=NNC(=O)[C@@H](CC)Oc1ccc2ccccc2c1Br 254855427 NHHQENMBMZWXLJ-HXUWFJFHSA-N 485.378 5.317 50 10 JKGE BrCc1ccc(N2C[C@@H]3CN(Cc4ccccc4)CC[C@H]3C2)c(Br)c1 311206260 JMAOFQRFXCMXAD-OALUTQOASA-N 464.245 5.302 50 10 JKGE Fc1cc2nc(CCCl)n(C3CCN(Cc4ccccc4)CC3)c2cc1Br 383021288 QLFHEQUWFQRTEN-UHFFFAOYSA-N 450.783 5.556 50 10 JKGE C[C@@H](Br)C[C@H]1CCCCN1C(=O)c1cc(Br)c(Br)s1 388135717 NAPLOLLIPJMTGN-RKDXNWHRSA-N 474.056 5.441 50 10 JKGE N#CSc1ccc(NC(=O)c2cccc(NC(=O)NC3CCCCCCCCCCC3)c2)cc1 586626201 OZHFGVDJMCIVGV-UHFFFAOYSA-N 478.662 7.307 50 10 JKGE COCc1cc(Br)c([C@@H](Br)c2cc3c(s2)CCSC3)s1 688058784 FGRJTEALEQOKLW-ZDUSSCGKSA-N 454.274 5.992 50 10 JKGE CC1(C)C[C@@H](Br)C[C@H](NC(=O)c2cc(Br)cc(Br)c2)C1 693900796 ZGWPBPQAWFSWPJ-STQMWFEESA-N 468.027 5.284 50 10 JKGE CCC(C)(C)CCC(CBr)(CBr)c1ccc(Br)cc1 696704076 QVFSFBIPAWAZDW-UHFFFAOYSA-N 455.072 6.693 50 10 JKGE CCc1nnc(CC(CBr)(CBr)c2ccc(Br)cc2)s1 702681020 TUWQSMDLIDBMNP-UHFFFAOYSA-N 483.067 5.133 50 10 JKGE C[C@H](CC(C)(C)C#N)Oc1c(Br)cc(CBr)cc1Br 710001253 NCZISYDSRQMWKC-SECBINFHSA-N 454.000 5.814 50 10 JKGE BrC[C@H](Cc1ccccc1Br)Cc1sncc1Br 719830569 QABXUUDFEVPVGI-SECBINFHSA-N 454.025 5.464 50 10 JKGE COc1cc(F)c([C@H](Cl)c2ccc(I)c(Br)c2)c(F)c1 721573328 QWYCGYGVGABYAD-CQSZACIVSA-N 473.482 5.669 50 10 JKGE Cl[C@H](c1ccc(I)c(Br)c1)c1ccc2c(c1)CCCC2 721608094 DNTBENQVHABGDK-KRWDZBQOSA-N 461.568 6.261 50 10 JKGE C[C@@H]1C[C@H](O[Si](C)(C)C(C)(C)C)C[C@@H](c2ccncc2NC(=O)OCc2ccccc2)C1 888087744 PRXMPDREOFIZON-BVSLBCMMSA-N 454.687 7.124 50 10 JKGE Cc1cccc(NC(=O)/C(C#N)=C\c2cc(Br)ccc2OCc2ccccc2Cl)c1C 1084095293 DOXBXIOXRUNHPO-NDENLUEZSA-N 495.804 6.844 50 10 JKGE Cc1ccc(OCC(=O)NN=Cc2ccc(Sc3nc4ccccc4s3)c([N+](=O)[O-])c2)cc1 1084322275 VERUETQIFWMNPX-UHFFFAOYSA-N 478.555 5.193 50 10 JKGE C=CCc1cc(C=NNC(=O)CC[C@H](O)c2ccccc2)ccc1OCc1ccc2ccccc2c1 1084459956 NNOHQGHMCMJEEV-LJAQVGFWSA-N 478.592 6.111 50 10 JKGE O=C(NN=Cc1cn(Cc2cccc3ccccc23)c2ccccc12)c1ccccc1Br 1084654673 FVAROTUSGHSXGQ-UHFFFAOYSA-N 482.381 6.369 50 10 JKGE O=C(NN=C1C(Cl)=C(Cl)C(Cl)=C1Cl)NN=C1C(Cl)=C(Cl)C(Cl)=C1Cl 1088697066 CWXHEMMCDUWFPC-UHFFFAOYSA-N 489.788 5.782 50 10 JKGE CCOc1ccc([C@H]2CN(Cc3ccccc3)C[C@@H]2CI)cc1OCC 1614714132 KGAWFRVZEPTDNX-VQTJNVASSA-N 465.375 5.135 50 10 JKGE CC(C)(C)c1ccc(OCCOc2cccnc2NC(=O)Oc2ccc([N+](=O)[O-])cc2F)cc1 1858692449 NNNZOTIADAEQTB-UHFFFAOYSA-N 469.469 5.495 50 10 JKGE O=C(NNC(=O)c1ccccc1Br)c1ccc(-c2ccc3ccccc3c2)s1 1860391731 RPWLAHMLEQGHQB-UHFFFAOYSA-N 451.345 5.406 50 10 JKGE CCCCOc1ccc([C@H]2C(C#N)=C(N)Oc3c2c(CC)nn3-c2ccccc2Cl)cc1OCC 1865686906 DUKDWURBXAIXAW-DEOSSOPVSA-N 493.007 5.884 50 10 JKGE CCCc1nn(CC(C)C)c2c1[C@H](c1ccc(OCCc3ccccc3)c(OC)c1)C(C#N)=C(N)O2 1865687890 CQWGGUVCXRRGDT-AREMUKBSSA-N 486.616 5.340 50 10 JKGE CC(C)[C@@H](C(=O)N[C@H](C)C(=O)Nc1ccc(SC#N)cc1)c1ccc(Cl)c(Cl)c1 1866984305 IJXZKHQQYLFBFR-BFUOFWGJSA-N 450.391 5.450 50 10 JKGE CC(C)(C)c1nc(Nc2ccc(SC#N)cc2)cc(N2CCC[C@H]2C(=O)NC2CCCCC2)n1 1868342595 XLBDSPOJOUBIIX-NRFANRHFSA-N 478.666 5.509 50 10 JKGE C[C@@H]1CN(c2cc(Nc3ccc(SC#N)cc3)nc(-c3ccccc3)n2)C[C@@H](c2ccc(F)cc2)O1 1868364604 ARKHXJLXTCKDDC-CLOONOSVSA-N 497.599 6.566 50 10 JKGE C[C@H]1c2[nH]cnc2CCN1c1cc(Nc2ccc(SC#N)cc2)nc(-c2ccc(C(C)(C)C)cc2)n1 1868545555 ZQHVXQOKEWDPQX-SFHVURJKSA-N 495.656 6.605 50 10 JKGE COc1ccc(-c2csc(/C(C#N)=C(\O)[C@@H](C)Oc3ccc(C(C)C)cc3)n2)c(OC)c1 1872755368 KCQJNUOLTFPDTP-VRYNMQIDSA-N 450.560 6.211 50 10 JKGE COc1ccc(-c2csc(/C(C#N)=C(\O)CCCOc3cc(C)c(Cl)c(C)c3)n2)cc1Cl 1872757567 LXCROFWBRHELAP-UZYVYHOESA-N 489.424 7.394 50 10 JKGE CC(C)c1ccc(O[C@@H](C)/C(O)=C(\C#N)c2nc(-c3cc(Cl)ccc3Cl)cs2)cc1 1872758779 QGCXNRWTLUMSEM-RPIBDXEDSA-N 459.398 7.500 50 10 JKGE CCCOc1ccc(/C=C(\C#N)c2nc(-c3ccc(Oc4ccccc4)cc3)cs2)cc1OCC 1872793014 CZLOEDPBVOWFAD-HAVVHWLPSA-N 482.605 7.854 50 10 JKGE CCCOc1c(/C=C(\C#N)c2nc(-c3cc(C(C)C)c(OC)cc3C)cs2)cccc1OC 1872793191 MPSCXFPSRVLVFI-DEDYPNTBSA-N 462.615 7.112 50 10 JKGE CCc1cccc(C)c1N1C[C@H](/C(O)=C(\C#N)c2nc(-c3ccc4ccccc4c3)cs2)CC1=O 1873940888 LUKRHUQBFCCFRW-YHMQUTQNSA-N 479.605 6.680 50 10 JKGE N#C/C(=C(/O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1)c1nc(-c2ccc(-c3ccccc3)cc2)cs1 1873941173 ZONWSPKOPJLNIA-LNVKXUELSA-N 470.466 6.243 50 10 JKGE CC(C)[C@H](CBr)N(Cc1ccccc1)C(=O)c1ccc(F)c(Br)c1 1915298635 VSPVXORZNSLEFK-SFHVURJKSA-N 457.181 5.650 50 10 JKGE COc1cccc(C[C@@H](Br)c2sc(Br)c(C)c2Br)c1 1922902888 UOYBOSMOOVIOFF-LLVKDONJSA-N 469.036 6.269 50 10 JKGE Clc1c(Br)sc(Br)c1[C@@H](Br)[C@@H]1CC12CCOCC2 1923047226 BGFSXWQEQPVWAW-XPUUQOCRSA-N 479.459 6.179 50 10 JKGE Cc1cc([C@H](Br)c2c(Br)sc(Br)c2Cl)sc1C 1923050564 WVVKDWHAJOWOHE-QMMMGPOBSA-N 479.484 7.089 50 10 JKGE Cl[C@H](c1c(Br)sc(Br)c1Br)[C@@H]1COc2ccccc21 1924596863 UYJSZBFMYKZKAI-HQJQHLMTSA-N 487.438 6.492 50 10 JKGE CCC(C)(C)C[C@@H](Br)c1c(Br)sc(Br)c1Br 1924608790 NFMQRQGRARLGAW-ZCFIWIBFSA-N 497.916 7.298 50 10 JKGE Clc1sc(Br)c(Cl)c1[C@H](Br)[C@H]1CCOc2ccccc21 1925597500 FHCOBWILZWMMLN-GZMMTYOYSA-N 457.014 6.820 50 10 JKGE COc1sc([C@H](Cl)c2cc(Br)sc2Br)cc1Br 1946711153 JISPBYIJPJNJHD-MRVPVSSYSA-N 481.456 6.434 50 10 JKGE COC[C@@H]1C[C@@H]1[C@H](Cl)c1c(Br)sc(Br)c1Br 1988578661 DVDLHZYKELOXPW-YQJDLUKNSA-N 453.421 5.598 50 10 JKGE BrCc1cc(Br)c(OC[C@H]2C[C@@H]2Br)c(Br)c1 1991502417 JUTDJXQZZNPBEX-SFYZADRCSA-N 477.816 5.269 50 10 JKGE Brc1scc([C@@H](Br)c2csc3ccccc23)c1Br 2032958981 QCIOZAQVIKZLEC-NSHDSACASA-N 467.045 6.972 50 10 JKGE CC1(C)C2CCC1([C@@H](Br)c1cc(Br)sc1Br)CC2 2033436110 ZUXGGPHOEJEESM-PGMTZQPISA-N 457.069 6.926 50 10 JKGE Brc1cc([C@H](Br)[C@H]2C[C@H]2C2CCCCC2)c(Br)s1 2079384645 ITWYIDWXROZUGJ-OUJBWJOFSA-N 457.069 6.926 50 10 JKGE CCc1ccc([C@H](Br)c2ccc(Br)cc2I)cc1 2086149031 JFUDYXRDPZUTRN-HNNXBMFYSA-N 479.981 6.100 50 10 JKGE O=C(Nc1c(Br)cc(Cl)cc1Br)N1CCC(Br)CC1 2105814775 IVZQAGJULMFAMR-UHFFFAOYSA-N 475.406 5.256 50 10 JKGE CN(C[C@@H]1CCCCN1Cc1ccccc1)c1cc(Br)cc(F)c1CBr 2114268131 TWSPEUQXQCDXCH-SFHVURJKSA-N 484.251 5.974 50 10 JKGE Clc1ccc([C@@H](Br)c2cc(I)sn2)c2ccccc12 2120031723 KCCFGKOAORLQMV-CQSZACIVSA-N 464.553 6.039 50 10 JKGE Cc1cc(F)c(Cl)cc1[C@@H](Br)c1cc(Cl)ccc1I 2137072341 ZOEVRLPWKVYGPX-CQSZACIVSA-N 473.938 6.530 50 10 JKGE Cc1c(Br)ccc([C@H](Br)C2CC(C(C)(C)C)C2)c1Br 2138870016 FTHKGDRJBRGMNW-QKFMDRJYSA-N 453.056 7.028 50 10 JKGE CO[C@H]1C[C@H]([C@H](Br)c2ccc(Br)cc2Br)C[C@H]1OC 2138870317 IJFGOLUWUGMTTI-IOEYQFCTSA-N 457.000 5.088 50 10 JKGE Cc1ccc(CBr)cc1OCc1ccc(I)c(Cl)c1 2142948878 FHHPACHXNLCLIE-UHFFFAOYSA-N 451.529 5.727 50 10 JKGE COc1cc([C@@H](Br)c2cc(C)sc2Br)c(OC)cc1Br 2157249274 PVDLWXYRHAZJOC-CYBMUJFWSA-N 485.035 6.083 50 10 JKGE Cc1cc2nc(CCl)n(-c3cccc(I)c3)c2cc1Br 2158583959 DLYCKPKSAPGAJL-UHFFFAOYSA-N 461.528 5.440 50 10 JKGE CCc1nn(C)c([C@H](Br)c2ccc(C)c(Br)c2C)c1Br 2192385491 UCOPJAHRTLDGFJ-CYBMUJFWSA-N 465.027 5.609 50 10 JKGE Cc1cc(Br)c(C)c([C@@H](Br)[C@@H]2CCCOC2(C)C)c1Br 2201071128 DKCKVYVKMNHUKG-NHYWBVRUSA-N 469.055 6.470 50 10 JKGE Cc1c(Br)ccc([C@H](Br)c2ccc(C(C)C)cc2)c1Br 2203689534 YOCDLQADLOGXFI-QGZVFWFLSA-N 461.035 7.128 50 10 JKGE Cc1c(Br)ccc([C@H](Br)c2cccc(C(F)F)c2)c1Br 2203706616 SZZMDDFTCWFMTI-CQSZACIVSA-N 468.961 6.942 50 10 JKGE Cc1cc([C@@H](Cl)c2scc(C(F)(F)F)c2Br)ccc1I 2207101014 DRZDOSMHAMLPMW-LLVKDONJSA-N 495.529 6.771 50 10 JKGE COc1cc(Br)c(OCCCCCI)cc1Br 2214705336 QJZLNTYBYNEWTE-UHFFFAOYSA-N 477.962 5.204 50 10 JKGE Cc1cc(Br)c([C@@H](Cl)c2cc(Br)c(C)cc2Br)s1 2221836584 NJFZSEIRYPYUOE-LBPRGKRZSA-N 473.455 6.981 50 10 JKGE Cc1ccc(I)c([C@H](Br)c2ccc(Cl)c(Cl)c2)c1 2224051518 DURZEYOJGLUNCG-CQSZACIVSA-N 455.948 6.391 50 10 JKGE CC[C@@H]1OCC[C@@H]1[C@@H](Br)c1c(Br)cc(Cl)c(Cl)c1Cl 2224302430 LQXNRGDQJOXLRA-DQBIJJQNSA-N 451.413 6.660 50 10 JKGE Fc1cc(Br)c(Br)cc1[C@H](Br)[C@H]1CC12CCCCC2 2225615253 FHLCTOPWBSDLPQ-YGRLFVJLSA-N 455.003 6.757 50 10 JKGE Cc1cccc(C[C@@H](Br)c2cc(Br)c(Br)cc2F)c1 2225615459 HPTWWHWQWUWDFY-GFCCVEGCSA-N 450.971 6.338 50 10 JKGE COc1cc(F)cc([C@@H](Br)c2cc(Br)ccc2Br)c1 2226030315 MQMMJTSHPSDMSM-CQSZACIVSA-N 452.943 5.844 50 10 JKGE CC[C@]1([C@H](Br)c2c(Br)cc(C)c(Br)c2C)CC1(F)F 2227369672 ODTQIFPRFBINHY-CHWSQXEVSA-N 460.982 6.700 50 10 JKGE C[C@@H](Cl)c1nc2ccncc2n1-c1ccc(Br)cc1I 2240289529 QJQXCMIWNNXUGW-MRVPVSSYSA-N 462.516 5.087 50 10 JKGE Br[C@H](Cc1ccccc1I)c1ccc([C@@H]2CCOC2)s1 2240431600 KNUONIZWIXKGQI-CHWSQXEVSA-N 463.178 5.535 50 10 JKGE COc1ccc([C@@H](Br)c2ccc(Br)o2)c(Br)c1Cl 2256326008 VLVZMECNTCBIOI-SNVBAGLBSA-N 459.359 5.951 50 10 JKGE C=CC[C@]1(CBr)CCN(Cc2c(Br)cccc2Br)C1 2272115430 NLSXHMWDRRJIRE-OAHLLOKOSA-N 452.028 5.375 50 10 JKGE Fc1cc(Br)c(F)c(Br)c1[C@H](Br)C1CC2(C1)CC2(F)F 2288349539 QUKJKLHBJMGCJX-UNXPPYCYSA-N 480.919 6.361 50 10 JKGE Cc1cc(Br)c([C@H](Br)[C@@]23CCCC[C@@H]2CC3)c(C)c1Br 2288973586 ZTIFYUPPNSCWQK-OAUYIBNBSA-N 465.067 7.235 50 10 JKGE COc1ccc(-c2csc(C(C#N)=CNc3ccc(Cl)cc3C(F)(F)F)n2)cc1OC 2296559544 PPNIHFYVPRDSOL-UHFFFAOYSA-N 465.884 6.476 50 10 JKGE C=CCOc1ccc(-c2nn(-c3ccccc3)cc2C=C(C#N)S(=O)(=O)c2ccccc2)cc1 2296729471 OGQUUTKIISDEJF-UHFFFAOYSA-N 467.550 5.442 50 10 JKGE CC(=O)Nc1ccc(NC=C(C#N)c2nc(-c3cc4cc(Cl)ccc4oc3=O)cs2)cc1 2296798447 VSYYIHUTEVDJIV-UHFFFAOYSA-N 462.918 5.505 50 10 JKGE CCCC(CCC)[C@H](Br)c1ccc(OCc2ccccc2)cc1Br 2299497282 QNAIXWXZALTMFV-NRFANRHFSA-N 454.246 7.681 50 10 JKGE COC1([C@@H](Br)c2cc(Br)ccc2OCc2ccccc2)CC(CF)C1 2314447314 XVYBDZIPRWEYAY-YHDJDMAPSA-N 472.192 6.229 50 10 JKGE CCOC(=O)c1c(NC(=O)C(C#N)=Cc2ccc(-c3cc(Cl)cc(Cl)c3)o2)sc(C)c1C 2314480751 OFEOWFNKBJABBW-UHFFFAOYSA-N 489.380 6.654 50 10 JKGE N#CC(=Cc1ccc(-c2ccc([N+](=O)[O-])cc2Cl)o1)c1nc(O)c2cc(Cl)ccc2n1 2314486162 BBHPBDVMBOKVAQ-UHFFFAOYSA-N 453.241 5.875 50 10 JKGE Cc1c(Br)cccc1[C@H](Cl)c1ccc(OCc2ccccc2)cc1Br 2314495314 PSWVYNATUVBUNP-NRFANRHFSA-N 480.627 7.427 50 10 JKGE CCc1ccc(Oc2nc3c(C)cccn3c(=O)c2C=C(C#N)C(=O)Nc2ccc(Cl)cc2)cc1 2314532902 NWGNWKHTGFLQLL-UHFFFAOYSA-N 484.943 5.557 50 10 JKGE N#CC(=Cc1ccc(-c2cc(Cl)cc(Cl)c2)o1)c1nc(-c2cc3ccccc3oc2=O)cs1 2314572208 WCZZRKHJXHDBBK-UHFFFAOYSA-N 491.355 7.547 50 10 JKGE CCc1ccc(N2C(=O)[C@H](Cc3ccccc3)SC2=C(C#N)C(=O)Nc2cccc(C)c2)cc1 2314591772 DQQJCBDAUGGHIO-VWLOTQADSA-N 467.594 5.622 50 10 JKGE Cc1ccc(NC(=O)C(C#N)=C2S[C@@H](Cc3ccccc3F)C(=O)N2c2ccc(C)c(C)c2)cc1 2314592255 OZRYMCVKLCIYDL-VWLOTQADSA-N 485.584 5.816 50 10 JKGE CC1=C(C#N)C(=O)N(CCc2ccccc2)C(=O)C1=Cc1ccc(OCc2ccccc2Cl)cc1 2314616727 IJQVDHQXTMKHFY-UHFFFAOYSA-N 482.967 5.754 50 10 JKGE CCOc1cc(C=C2C(=O)N(Cc3ccc(C)cc3)C(=O)C(C#N)=C2C)ccc1OCc1ccccc1 2314617482 ZBSXAFJWPZKGAH-UHFFFAOYSA-N 492.575 5.765 50 10 JKGE CCCOc1cccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)C=Cc4ccc(OC)cc4)ccc32)c1 2314634861 XKTAMCGJFKYXMW-MUUNZHRXSA-N 482.536 5.321 50 10 JKGE CCN(Cc1ccccc1)c1ccc(C=C(C#N)c2nc(-c3ccc(-c4ccccc4)cc3)cs2)cc1 2331414053 BISXBGMVFJCZCF-UHFFFAOYSA-N 497.667 8.568 50 10 JKGE CCCCCCOc1ccc(C=C(C#N)c2nc(-c3ccc([N+](=O)[O-])cc3)cs2)cc1OC 2331434224 KINKXIZADZMMSY-UHFFFAOYSA-N 463.559 6.750 50 10 JKGE COc1ccc(Cl)cc1-c1csc(C(C#N)=Cc2cc(Br)c(O)c(OC)c2)n1 2331489778 DGQYRZBCUUBFOF-UHFFFAOYSA-N 477.767 6.013 50 10 JKGE Fc1c(Br)cc(Cl)c([C@@H](Br)C[C@H]2CCC2(F)F)c1Br 2337089507 ZZNQGJWMNQPJPQ-RITPCOANSA-N 485.363 6.876 50 10 JKGE CC1(C)COC[C@H]1[C@@H](Br)c1c(Cl)cc(Br)c(F)c1Br 2337097934 ODVMVWPPXLLVDB-QUBYGPBYSA-N 479.409 6.113 50 10 JKGE Clc1ccc(CN2C[C@@H](Br)C3(CCCC3)C2)cc1I 2337223683 PPSZFRXTRBTGPM-CQSZACIVSA-N 454.577 5.084 50 10 JKGE Cc1cc(Br)c(F)c(Br)c1[C@@H](Cl)c1cc(Br)c(C)s1 2339639477 MOOBVURDDNEFQY-LBPRGKRZSA-N 491.445 7.120 50 10 JKGE Fc1cc(Br)c(Cl)cc1[C@@H](Cl)c1ccc(Cl)cc1I 2340062859 FDECFCLCHCCIHT-ZDUSSCGKSA-N 494.356 6.828 50 10 JKGE C[C@H](Br)CN(Cc1ccc(Cl)c(I)c1)C1CCCC1 2342927925 KSWLAOOSIRKLNB-NSHDSACASA-N 456.593 5.473 50 10 JKGE C[C@H](c1ccncc1F)[C@@H](Cl)c1ccc(I)c(Br)c1 2344698808 NEVCBABSTQZWCR-XLKFXECMSA-N 454.508 5.671 50 10 JKGE COC[C@@H]1CC[C@@H](Cc2ccc(I)c(Br)c2)C[C@H]1Cl 2349780777 ITCWBPOHGAEOOW-SGMGOOAPSA-N 457.577 5.266 50 10 JKGE FC1(F)[C@@H]2CC(CCl)(Cc3ccc(I)c(Br)c3)C[C@H]21 2349842174 WJZJPTRTOIJJFH-NXEZZACHSA-N 461.515 5.497 50 10 JKGE Fc1cc(Cl)c(Br)c(Cl)c1[C@@H](Cl)Cc1ccccc1Br 2360493466 QLWCOKDZERUGIW-VIFPVBQESA-N 461.383 7.180 50 10 JKGE Fc1ccc([C@@H](Br)c2c(F)cc(Cl)c(Br)c2Cl)c(Cl)c1 2360493614 RBRATHYCMNWSSX-LLVKDONJSA-N 465.346 7.172 50 10 JKGE CCCN[C@@H](c1c(Cl)cc(Br)c(F)c1Br)[C@H]1C[C@H](Br)C1 2362249730 HUXSFTNWEAUIAA-WFEFGEHDSA-N 492.452 6.218 50 10 JKGE CN(Cc1cc(I)ccc1Cl)C[C@H](Br)C1CCCCC1 2380520697 CLYBHBCQNQMOKA-HNNXBMFYSA-N 470.620 5.720 50 10 JKGE COc1ccc(N(C(=O)CCl)[C@H](C(=O)NC2CCCCC2)c2ccc(Cl)cc2)cc1Cl 3035266 ZOJSPGOPNADMNB-QFIPXVFZSA-N 483.823 5.764 50 10 JKGE Cc1cccc(C2(c3cccc(C)c3)C[C@@H]2C(=O)N/N=C/[C@@H]2[C@@H](c3ccccc3)C2(Cl)Cl)c1 20075935 MZZOVQMBULGBAO-DDQIOVSNSA-N 477.435 6.299 50 10 JKGE COc1ccc(/C=C\C(=O)Oc2ccc(/C=C(\C#N)c3ccc(Cl)cc3)cc2OC)cc1OC 33377651 AUZJLOJCLPFCBU-ALOIKNMISA-N 475.928 6.049 50 10 JKGE COc1ccc(C(=O)Oc2cccc(/C=C(/C#N)C(=O)Nc3cc(Cl)cc(Cl)c3)c2)cc1 33618249 OQKFBPQYMAUASW-MFOYZWKCSA-N 467.308 5.767 50 10 JKGE N#C/C(=C/c1ccc(-c2cccc(Cl)c2Cl)o1)C(=O)Nc1ccc(Cl)cc1[N+](=O)[O-] 33930180 YWLUXMDNVZDBTB-FLIBITNWSA-N 462.676 6.361 50 10 JKGE CC(C)=CCC/C(C)=C/C=N/NC(=O)c1cc(C(=O)N/N=C/C=C(\C)CCC=C(C)C)c(C)nc1C 33960895 GBIYZCKJMTUOKB-VRBITNNPSA-N 491.680 6.515 50 10 JKGE Cc1ccccc1C(=O)Oc1ccc2c(c1)OC(N)=C(C#N)[C@H]2c1cccc(Oc2ccccc2)c1 38660752 AFJWZJSAMUTYCR-NDEPHWFRSA-N 474.516 6.225 50 10 JKGE N#CC1=C(N)Oc2cc(OC(=O)c3cccs3)ccc2[C@H]1c1cccc(OCc2ccc(F)cc2)c1 38686870 GBKSTMRKZDIDLL-AREMUKBSSA-N 498.535 5.904 50 10 JKGE COc1ccc(C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@@H]3c2cccc(Cl)c2)cc1Cl 38687734 QOCRENBMQXQBMF-JOCHJYFZSA-N 467.308 5.439 50 10 JKGE CCCCCCOc1ccc(/C=N/NC(=O)COc2ccc(Br)cc2C(C)(C)C)cc1 40912112 QPDMIKYTLHGACF-WPWMEQJKSA-N 489.454 6.235 50 10 JKGE COc1cc(/C=C(\C#N)C(=O)NCc2ccccc2)cc(Br)c1OCc1ccc(C)cc1 59484562 UDMUSJYPYBNUDX-WSDLNYQXSA-N 491.385 5.569 50 10 JKGE Cc1cc([C@H](Br)c2cc(Cl)c(Br)cc2F)sc1Br 97895784 XNHQKUPZPHAXST-LLVKDONJSA-N 477.418 6.858 50 10 JKGE COc1ccc(CN2C(=O)C(C#N)=C(C)/C(=C\c3ccc(OCc4ccccc4F)cc3)C2=O)cc1 101340074 KQFXPRSNXYDBHE-MFKUBSTISA-N 482.511 5.206 50 10 JKGE CCCCCCCCOc1ccc(/C=C(\C#N)C(=O)Nc2sc3c(c2C(N)=O)CCCC3)cc1 101660019 YCUGVXQYHGCRPP-LVZFUZTISA-N 479.646 6.011 50 10 JKGE CCc1ccc(-c2csc(/C(C#N)=C\Nc3ccc(S(=O)(=O)Nc4nccs4)cc3)n2)cc1 103700070 NPGCTHAENDOCPM-JXAWBTAJSA-N 493.639 5.606 50 10 JKGE N#C/C(=C/c1ccccc1OCc1ccc(Cl)cc1Cl)S(=O)(=O)c1ccc(Cl)cc1 103761977 KNJBBABOHZCGQD-JAIQZWGSSA-N 478.784 6.564 50 10 JKGE Fc1ccc(C[C@@H](Br)c2cc(Br)c(Br)s2)cc1F 128228726 NBXITKMQJUEODE-SSDOTTSWSA-N 460.963 6.230 50 10 JKGE CCCCCCCC[C@@H](Br)c1cc(Br)c(C)cc1Br 128772986 YWQIEFJCKMWHFC-CQSZACIVSA-N 455.072 7.707 50 10 JKGE COc1cc(C)c(Br)cc1[C@@H](Cl)c1cc(Br)c(Br)s1 128877387 KAWCHVMSHBWVHU-GFCCVEGCSA-N 489.454 6.681 50 10 JKGE COc1cc(/C=N/NC(=O)c2ccccc2OC)ccc1OCc1c(Cl)cccc1Cl 169878129 DEEQBAHYDNHTFV-LGJNPRDNSA-N 459.329 5.354 50 10 JKGE Cc1cc(I)ccc1N/C=C(/C#N)C(=O)N[C@H](C)c1ccc2c(c1)CCCC2 217201307 VYNXTRDEXSSCTG-ZHTGWBIJSA-N 485.369 5.175 50 10 JKGE N#C/C(=C/N1CCN(c2cccc(Cl)c2)CC1)C(=O)Nc1ccc(Oc2ccccc2)cc1 217211810 OXIRSAQTYPORKJ-VXPUYCOJSA-N 458.949 5.300 50 10 JKGE Clc1sc([C@@H](Br)c2csc(I)c2)cc1Br 227845166 JMZOPLZEPJACSK-QMMMGPOBSA-N 498.430 6.314 50 10 JKGE O=[N+]([O-])c1ccc(Br)c(Oc2ccc(CBr)c(Br)c2)c1 232486894 MKHLXVGEUDCBHV-UHFFFAOYSA-N 465.923 5.807 50 10 JKGE COc1cc(F)c(Br)cc1[C@H](Br)c1ccc(C)c(Br)c1 234913880 RGWPEOULYXSEID-OAHLLOKOSA-N 466.970 6.152 50 10 JKGE Cc1cc(F)c([C@H](Br)c2cc(Br)cc(Br)c2)cc1F 235923531 NUIFRQZBFBPPHI-CQSZACIVSA-N 454.934 6.283 50 10 JKGE O=C(NN=Cc1cccc(Oc2ccccc2)c1)c1ccn(Cc2ccc(Cl)cc2Cl)n1 254490740 FXAJKZTZAAXRRF-UHFFFAOYSA-N 465.340 5.794 50 10 JKGE 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 256443536 MFEGXCLQSLHLPH-GMFLRYCUSA-N 453.406 5.217 50 10 JKGE Fc1cc2c(cc1I)nc(CCl)n2C[C@H]1CCCCN1Cc1ccccc1 379611613 RUPPJPSBBDWVIE-MRXNPFEDSA-N 497.783 5.574 50 10 JKGE C[C@H](Cl)c1nc2cc(I)c(F)cc2n1C[C@H]1CCCN1Cc1ccccc1 390610819 FBOAVLXBJOJJFE-GOEBONIOSA-N 497.783 5.744 50 10 JKGE Cc1cccc(N2CCN(C(=O)Nc3ccc(C(=O)Nc4ccc(SC#N)cc4)cc3)CC2)c1C 586664482 UNSSZTRAODAKEX-UHFFFAOYSA-N 485.613 5.483 50 10 JKGE Cc1cccc(Br)c1[C@H](Br)c1ccc(F)c(Br)c1F 691638755 ZRUSWXIRPKKOKG-GFCCVEGCSA-N 454.934 6.283 50 10 JKGE CCn1cc([C@H](Br)c2c(C)cc(C)c(Br)c2C)nc1Br 698393162 ULOCIQISJUOWKL-AWEZNQCLSA-N 465.027 5.838 50 10 JKGE COc1ccc(Oc2cccc(Br)c2CCl)cc1I 712921236 ZTVHVQGTOCKSDS-UHFFFAOYSA-N 453.501 5.593 50 10 JKGE BrC[C@H](Cc1ccc(Br)cc1)Cc1ncc(Br)s1 713619312 VDRKMNCWAILYBJ-SNVBAGLBSA-N 454.025 5.464 50 10 JKGE CN(Cc1ccccc1)C1CCN(c2ccc(Br)cc2CBr)CC1 717561254 FXLRYZURAWVKMD-UHFFFAOYSA-N 452.234 5.445 50 10 JKGE CC1(C)CN(Cc2ccccc2)C[C@@H]1n1c(CCl)nc2cc(Br)c(F)cc21 720703645 RBGJDBYVRNMELW-IBGZPJMESA-N 450.783 5.760 50 10 JKGE CC1(C)CC(/C=C\c2ccc(/C=C/C3=CC(=C(C#N)C#N)CC(C)(C)C3)cc2)=CC(=C(C#N)C#N)C1 1082888922 WAKLMYVFVNQOTF-DSOJMZEYSA-N 470.620 7.893 50 10 JKGE C=CCOc1ccc(C=NNC(=O)c2ccc(-n3c(C)ccc3-c3ccccc3)cc2)cc1OCC 1083970586 GQSRELUJPCLSEN-UHFFFAOYSA-N 479.580 6.180 50 10 JKGE Cc1cccc(C)c1-n1c(C)cc(C=NNC(=O)C(=O)Nc2ccc(OCc3ccccc3)cc2)c1C 1083991827 VPYJNSALMJQVDB-UHFFFAOYSA-N 494.595 5.379 50 10 JKGE CCOc1cc(C=NNC(=O)c2ccccc2Br)cc(Br)c1OC(C)C 1084196970 MIDREHJOOMBMSZ-UHFFFAOYSA-N 484.188 5.161 50 10 JKGE CCOc1ccc(C(=O)NN=Cc2cc(Cl)c(OCc3cccc(Cl)c3)c(OC)c2)cc1 1084317181 MFOFFJWIJHIWEW-UHFFFAOYSA-N 473.356 5.744 50 10 JKGE CSc1ccc(C=NNC(=O)CSc2c(Cl)c(Cl)c(Cl)c(Cl)c2Cl)cc1 1084399237 QNSDSNBKPXLWKQ-UHFFFAOYSA-N 488.676 6.918 50 10 JKGE Cc1cccc(NC(=O)c2oc3c(c2C)C(=NNC(=O)c2ccc4ccccc4n2)CCC3)c1 1772751570 VAPKSIAAVXEUAO-UHFFFAOYSA-N 452.514 5.167 50 10 JKGE COc1cccc(NC(=O)c2oc3c(c2C)C(=NNC(=O)Cc2coc4c(C)c(C)ccc24)CCC3)c1 1772752078 UBTXFLJAEXFMCV-UHFFFAOYSA-N 499.567 5.611 50 10 JKGE CC(C)c1ccc([C@H]2C(C#N)=C(N)Oc3c2c(C(F)(F)F)nn3Cc2ccccc2Cl)cc1 1865685568 KLXOYQMDRBVBDN-IBGZPJMESA-N 472.898 5.945 50 10 JKGE CCCCOc1ccc([C@@H]2C(C#N)=C(N)Oc3c2c(C)nn3-c2ccccc2Cl)cc1OCC 1865686799 BDWIQQPFTCLDKO-XMMPIXPASA-N 478.980 5.630 50 10 JKGE CCCc1nn(Cc2ccc(Cl)c(Cl)c2)c2c1[C@@H](c1cc(Cl)ccc1O)C(C#N)=C(N)O2 1865689614 UIGAWOVQOAKDRZ-FQEVSTJZSA-N 489.790 5.768 50 10 JKGE C=CCOc1ccccc1[C@@H]1C(C#N)=C(N)Oc2c1c(C(F)(F)F)nn2Cc1ccc(Cl)cc1 1865691157 KSHURDYNIOBMSK-LJQANCHMSA-N 486.881 5.387 50 10 JKGE CCOc1ccc([C@@H]2C(C#N)=C(N)Oc3c2c(-c2ccc(OC)cc2)nn3-c2cccc(Cl)c2)cc1 1865693051 HJPLDXXNFQZTBZ-XMMPIXPASA-N 498.970 5.818 50 10 JKGE CCCOc1c(OC)cccc1[C@H]1C(C#N)=C(N)Oc2c1c(-c1ccccc1)nn2Cc1ccccc1 1865694603 ZVBPBAMBPYQQKC-VWLOTQADSA-N 492.579 5.614 50 10 JKGE COc1ccccc1[C@@H]1C(C#N)=C(N)Oc2c1c(C(F)(F)F)nn2-c1ccc(Cl)c(Cl)c1 1865710505 ZSSFANUGUHARGW-MRXNPFEDSA-N 481.261 5.425 50 10 JKGE CCc1nn(Cc2ccc(Cl)c(Cl)c2)c2c1[C@H](c1cccc(OC)c1)C(C#N)=C(N)O2 1865712193 RSWJBYHNMCGAKB-HXUWFJFHSA-N 455.345 5.027 50 10 JKGE C[C@H](CCNC(=O)/C(C#N)=C/c1cccc(Br)c1)c1cccc(-c2ccc(O)cc2)c1 1866130917 SIPUSXWZGACNTE-UEIZDATPSA-N 475.386 6.039 50 10 JKGE N#CSc1ccc(NC(=O)[C@@H](NC(=O)[C@@H](Cc2ccccn2)c2ccccc2)c2ccccc2)cc1 1866696289 NZJRLQNFXYPGCG-SVBPBHIXSA-N 492.604 5.477 50 10 JKGE C[C@H](CC(=O)N[C@@H](C(=O)Nc1ccc(SC#N)cc1)c1ccccc1)c1ccc(Cl)cc1 1866716946 YWYNOLVMENLVNG-MZNJEOGPSA-N 463.990 5.903 50 10 JKGE N#CSc1ccc(NC(=O)[C@H](CSCc2ccccc2)NC(=O)[C@H]2C[C@H]2c2ccccc2)cc1 1867053772 PSBDXDZBYGTTGG-SDHOMARFSA-N 487.650 5.420 50 10 JKGE CC(C)c1nc(Nc2ccc(SC#N)cc2)cc(N2CC(=O)N3CCc4c(F)cccc4[C@@H]3C2)n1 1868231576 LCGVXLHHYNCSDA-QFIPXVFZSA-N 488.592 5.002 50 10 JKGE CCc1ccc(-c2csc(/C(C#N)=C(\O)[C@@H]3CC(=O)N(c4cc(Cl)ccc4OC)C3)n2)cc1 1872744306 LZPBZLJAJMQBCZ-WHTJBBQOSA-N 479.989 5.880 50 10 JKGE CCOc1ccc(CC/C(O)=C(\C#N)c2nc(-c3ccc(Cl)cc3Cl)cs2)cc1OC 1872744752 GWTRWWSLYIGFRT-JZJYNLBNSA-N 475.397 6.950 50 10 JKGE Cc1cc(OCCC/C(O)=C(\C#N)c2nc(-c3ccccc3Cl)cs2)cc(C)c1Cl 1872745878 HVFAZQHFSXZHLN-UZYVYHOESA-N 459.398 7.386 50 10 JKGE Cc1ccc(OC/C(O)=C(\C#N)c2nc(-c3cccc(Br)c3)cs2)c(C(C)(C)C)c1 1872746159 VFMCIMUNVWDCRT-UZYVYHOESA-N 483.431 7.050 50 10 JKGE CCCCc1ccc(N2C[C@H](/C(O)=C(\C#N)c3nc(-c4ccc(F)cc4)cs3)CC2=O)cc1 1872753071 GLFVVWQBMPRFPM-IPQBESIJSA-N 461.562 6.138 50 10 JKGE COc1cc(/C=C/C(O)=C(\C#N)c2nc(-c3cc(Cl)ccc3Cl)cs2)ccc1OC(C)=O 1872758372 XISUTQALNRUJHP-UIZFBHIPSA-N 487.364 6.557 50 10 JKGE COc1cccc(/C=C(\C#N)c2nc(-c3c[nH]c4ccccc34)cs2)c1OCc1cccc(C)c1 1872791265 DRUUHPYLIGXXPB-HYARGMPZSA-N 477.589 7.252 50 10 JKGE CCCCOc1ccc(/C=C(\C#N)c2nc(-c3ccc(OC)c4ccccc34)cs2)cc1OC 1872795088 MRGCIFBOCMAHJS-HMMYKYKNSA-N 470.594 7.224 50 10 JKGE FC1(F)CC[C@@H](Br)[C@@H](Cc2cccc(Br)c2Br)CC1 1881848603 DYVYKPVSYMPUDN-MWLCHTKSSA-N 460.982 6.343 50 10 JKGE CN(CCN(Cc1ccccc1)c1nc(CCl)ccc1Br)Cc1ccccc1 1884591459 VFRNRMHTSIIFNR-UHFFFAOYSA-N 458.831 5.722 50 10 JKGE O=C1c2ccccc2C(=O)N1C[C@H](Cl)CCc1c(Br)cccc1Br 1905342198 HMUPJIHUMGYBSH-LLVKDONJSA-N 471.576 5.048 50 10 JKGE C[C@H](CCBr)N(Cc1ccccc1)S(=O)(=O)c1ccccc1C(F)(F)F 1915094262 GKMBGQQAMYBFNW-CQSZACIVSA-N 450.320 5.070 50 10 JKGE Cc1c(Br)sc([C@H](Cl)c2cn(C)c(Br)n2)c1Br 1922887359 VIJFOTVVNPUNEJ-SSDOTTSWSA-N 463.420 5.406 50 10 JKGE Cc1cc([C@H](Cl)c2sc(Br)c(C)c2Br)oc1Br 1922931143 ZPJOFWDDISDSBU-QMMMGPOBSA-N 463.416 6.574 50 10 JKGE Cc1c(Br)sc([C@H](Br)Cc2ccccc2Cl)c1Br 1922953189 ANSHLAYFWVGFRP-SECBINFHSA-N 473.455 6.914 50 10 JKGE CS(=O)(=O)c1sccc1[C@@H](Cl)c1c(Br)sc(Br)c1Cl 1923039240 NGHYDDBDIRCPFN-ZCFIWIBFSA-N 485.071 5.720 50 10 JKGE CC(C)(C)OC1CC([C@H](Cl)c2c(Br)sc(Br)c2Cl)C1 1923065833 HWQXJGFBMYCVKT-IEIXJENWSA-N 451.051 6.800 50 10 JKGE Fc1cccc([C@H](Br)c2c(Br)sc(Br)c2Cl)c1 1923073571 YABWPJYJJGLVLJ-QMMMGPOBSA-N 463.391 6.550 50 10 JKGE CC(C)C[C@H](Br)c1c(Br)sc(Br)c1Br 1924575470 ATXVJRYMPIAMAG-YFKPBYRVSA-N 469.862 6.518 50 10 JKGE Cl[C@H](Cc1ncccc1Br)c1cc(Br)sc1Br 1924910532 YOQCWLHDFQXENF-MRVPVSSYSA-N 460.416 5.953 50 10 JKGE Brc1sc([C@@H](Br)c2ncsc2Br)cc1C1CC1 1945799717 JGZPMGQFRHPHFM-MRVPVSSYSA-N 458.038 6.091 50 10 JKGE Fc1cc(Cl)c(Br)cc1[C@H](Br)c1cscc1Br 1948510383 IUOFEHXJTDVHTM-NSHDSACASA-N 463.391 6.550 50 10 JKGE Fc1cc(Br)c(Cl)cc1[C@H](Br)c1cscc1OCc1ccccc1 1950321961 WGYFTLVFZCWXBP-SFHVURJKSA-N 490.619 7.366 50 10 JKGE C[C@](CCCCC[C@H]1CCSS1)(NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)O 1951706488 BMAYACMZXLWDGV-HFJWLAOPSA-N 485.671 6.473 50 10 JKGE CN(Cc1ccccc1)[C@@H]1CCCN(c2cccc(Br)c2CBr)C1 2003361772 ZKQBDUJVQAJUSP-QGZVFWFLSA-N 452.234 5.445 50 10 JKGE Clc1cc(COc2c(Br)cc(Br)cc2CBr)sn1 2048357548 CIUIKSFFBXWSRX-UHFFFAOYSA-N 476.415 5.795 50 10 JKGE CN(c1cc(Br)cc(F)c1CBr)[C@H]1CCCN(Cc2ccccc2)C1 2051131525 MAJDXTGSAFCECV-KRWDZBQOSA-N 470.224 5.584 50 10 JKGE CC1(C)CCC2(CC1)CC(O[C@@H]1CN(C(=O)OC(C)(C)C)C[C@@H]1I)C2 2073144730 RVDQUUBZPBXMJO-JKSUJKDBSA-N 463.400 5.175 50 10 JKGE CP(C)(=O)CCC(CBr)(CBr)c1cccc(Br)c1 2084166539 RDBKPMRLCWMULF-UHFFFAOYSA-N 460.972 5.490 50 10 JKGE O=C(N[C@H]1CCCCC[C@@H]1Br)c1cccc(Br)c1Br 2092341204 YWNNQWRZFTUDRS-JQWIXIFHSA-N 454.000 5.038 50 10 JKGE CC1(C)CCN(Cc2c(Br)cccc2Br)C[C@@H]1CBr 2094093300 PBQIDCSFOGMHTI-NSHDSACASA-N 454.044 5.455 50 10 JKGE BrC[C@@H]1CC12CCN(Cc1c(Br)cccc1Br)CC2 2094094257 ZUUZEJSIIROROF-NSHDSACASA-N 452.028 5.209 50 10 JKGE CC1(C)C[C@@H](Br)CCN(Cc2c(Br)cccc2Br)C1 2094102064 KRDVXBRNZKERNL-NSHDSACASA-N 454.044 5.597 50 10 JKGE Cc1cc(Br)c([C@H](Br)CC2CC3(CCC3)C2)cc1Br 2099308834 RNDXBDPKTLLMTM-OAHLLOKOSA-N 451.040 6.926 50 10 JKGE COc1ccc([C@H](Br)c2cc(I)ccc2F)cc1Br 2113358831 VEPJTWHCGMVNGT-AWEZNQCLSA-N 499.943 5.686 50 10 JKGE Cc1cc(Br)c(CBr)c(Oc2ccc(Br)c(F)c2)c1 2116825031 XESYBBSAJPZFHS-UHFFFAOYSA-N 452.943 6.346 50 10 JKGE Brc1cccc(CN2C[C@@H](Br)CCC23CCC3)c1Br 2117903578 NBRRDMRYXSNLPI-LBPRGKRZSA-N 452.028 5.494 50 10 JKGE Clc1cccc(CBr)c1OCc1cc(Br)ccc1Br 2118520291 SKJSIUQQUVOLEG-UHFFFAOYSA-N 469.398 6.339 50 10 JKGE Cc1c(Br)sc([C@H](Br)c2cc(Cl)c(F)cc2F)c1Br 2122801476 MDIBVYAAJHKMJU-SNVBAGLBSA-N 495.408 6.997 50 10 JKGE Cc1cc(Br)c([C@H](Br)C(F)(F)[C@H]2CCOC2)cc1Br 2128824900 YMEKHCQAYGCGEP-UFBFGSQYSA-N 462.954 5.628 50 10 JKGE Cc1cc(Cl)c(Br)cc1[C@@H](Br)c1c(C)nn(C)c1Br 2137642034 GYUCBZUDCBSUBO-GFCCVEGCSA-N 471.418 5.700 50 10 JKGE COc1cc(F)c([C@@H](Br)c2ccc(Br)cc2)cc1Br 2138162297 SVKKPILNGFCHOQ-AWEZNQCLSA-N 452.943 5.844 50 10 JKGE COC1(C[C@H](Br)c2ccc(Br)c(C)c2Br)CCCC1 2138872702 UHDBDCZAGPFQCG-ZDUSSCGKSA-N 455.028 6.305 50 10 JKGE Clc1ccccc1C(CBr)(CBr)Cc1cc(Br)sn1 2139779319 HPYFXZVNHYWMKY-UHFFFAOYSA-N 488.470 5.829 50 10 JKGE Clc1cc(CN2CC[C@@H](CBr)C23CCC3)ccc1I 2142943573 NBCZFAOEGMGOCZ-LBPRGKRZSA-N 454.577 5.084 50 10 JKGE C[C@@H](Cl)c1nc2cc(I)c(F)cc2n1C1CC(COCc2ccccc2)C1 2149051498 PFAJEBLFIZETRN-IUDNXUCKSA-N 498.767 6.248 50 10 JKGE COc1cc([C@@H](Br)c2scc(Cl)c2Cl)c(OC)cc1Br 2152521985 DTYLYNSXQSAGEX-LLVKDONJSA-N 461.002 6.319 50 10 JKGE Cc1cc2nc(CCl)n(-c3ccccc3I)c2cc1Br 2158585724 YTJPLCGFWARKGZ-UHFFFAOYSA-N 461.528 5.440 50 10 JKGE CN(CCN(CCCCCCCCCBr)CC(F)(F)F)C(=O)OC(C)(C)C 2163059013 PQWMWQJZALQWPC-UHFFFAOYSA-N 461.407 5.843 50 10 JKGE COc1ccc([C@@H](Cl)c2cc(Br)c(Cl)s2)c(OC)c1Br 2172568978 IIPWHIYRTJTCDX-LLVKDONJSA-N 461.002 6.272 50 10 JKGE FCCOc1cccc([C@H](Br)c2cc(Br)ccc2Br)c1 2189519853 ZUYUHXHYMHUKFA-HNNXBMFYSA-N 466.970 6.044 50 10 JKGE COCc1ccccc1[C@@H](Br)c1cc(Br)c(C)cc1Br 2191242972 IOAWVCLBGAFYNM-MRXNPFEDSA-N 463.007 6.151 50 10 JKGE Cc1cc(Br)c(C)c([C@H](Br)[C@@H](C)C2CCCCC2)c1Br 2201067268 JLPIXCFPXOWPSX-APPDUMDISA-N 467.083 7.481 50 10 JKGE COc1c(Cl)cc(Br)cc1[C@H](Br)c1c(F)cccc1Br 2203001904 NISIOZZUJCCXLA-ZDUSSCGKSA-N 487.388 6.497 50 10 JKGE COc1c(Cl)cc(Br)cc1[C@@H](Br)c1c(C)nn(C)c1Br 2203003437 VPTVRNXKGWWSBM-LLVKDONJSA-N 487.417 5.400 50 10 JKGE Cc1c(Br)ccc([C@H](Br)[C@@]23CCCC[C@H]2CCC3)c1Br 2203690547 DXMPSUNMYHHPEJ-AFAVFJNCSA-N 465.067 7.317 50 10 JKGE CC1(C)CCC[C@H](c2sc(Br)c(Br)c2Br)[C@@H]1Cl 2216393794 MAGHAASXQRCNBP-LDWIPMOCSA-N 465.476 6.937 50 10 JKGE Cc1c(Br)sc([C@@H](Br)C2(C)CC3(CCC3)C2)c1Br 2221001705 ITFPFMARPZGTIB-LLVKDONJSA-N 457.069 6.988 50 10 JKGE Fc1cc(Br)c(Br)cc1[C@H](Br)[C@H]1C(F)(F)C12CCC2 2225615128 CXPGFWDRXDPDLX-WDEREUQCSA-N 462.929 6.222 50 10 JKGE BrC[C@@H]1C[C@H]2CCCC[C@H]2N1c1ncc(Br)cc1Br 2231987550 FPISXUCFSUGKQX-SUZMYJTESA-N 453.016 5.139 50 10 JKGE C[C@H](Cl)c1nc2c(F)cc(Br)cc2n1C1CC(COCc2ccccc2)C1 2232918396 FROGUROYTUKOAA-KTAKPFMOSA-N 451.767 6.406 50 10 JKGE CCOCc1cc(Br)c([C@@H](Cl)c2sc(C)c(Br)c2C)s1 2234469694 IZWOTYXLSRMPDK-LBPRGKRZSA-N 458.668 6.816 50 10 JKGE Cc1cc(Br)c([C@@H](Cl)c2ccc(F)cc2Br)c(C)c1Br 2235605790 UTBSJASEHFKYAF-HNNXBMFYSA-N 485.416 7.058 50 10 JKGE O=C(c1cc(Br)ccc1Br)N1C[C@@H](Br)CC12CCCC2 2241027491 VEYSOKFBAIBAMF-NSHDSACASA-N 466.011 5.134 50 10 JKGE Cc1cc(Cl)c(Cl)cc1[C@H](Br)c1scc(Br)c1Br 2253407827 DLKVQJUPWXEKOD-JTQLQIEISA-N 493.873 7.373 50 10 JKGE Cc1cc([C@H](Br)c2ccc(Cl)c(I)c2)c(F)cc1F 2268280525 QHMWGCLCVQLRGU-CQSZACIVSA-N 457.483 6.016 50 10 JKGE CC[C@@]1([C@@H](Br)c2c(F)cc(Br)c(F)c2Br)CC1(F)F 2272843963 UNTHJELOMQQXNY-QWRGUYRKSA-N 468.908 6.361 50 10 JKGE COc1ccc([C@H](Cl)c2ccc(Cl)cc2Br)c(Br)c1Cl 2283555891 USEMPSFTACIPLK-CYBMUJFWSA-N 459.392 6.855 50 10 JKGE Cc1cc(Br)c([C@H](Br)C2CC3(CC(C)C3)C2)c(C)c1Br 2287846183 IWAZUJNCLYYGAF-OOKHJEJASA-N 465.067 7.091 50 10 JKGE C[C@H]1O[C@@]2([C@H](Br)c3c(F)cc(Br)c(F)c3Br)CC[C@H]1C2 2288489371 SRNJCOHEVKUFAL-JRXORCGPSA-N 474.965 5.883 50 10 JKGE CC(=NNC(=O)c1sc2ccccc2c1Cl)c1ccc(NC(=O)C=Cc2ccccc2)cc1 2295280302 IWDZBVAOARZRDJ-UHFFFAOYSA-N 473.985 6.361 50 10 JKGE CS(=O)(=O)c1sccc1[C@H](Cl)Cc1cc(Br)cc(Br)c1 2295328931 AWUKRMIOBRWKPD-GFCCVEGCSA-N 458.624 5.199 50 10 JKGE FC(F)(F)c1ccc([C@@H](Br)Cc2cc(Br)cc(Br)c2)s1 2295335289 IGJQRXLWSCKVDP-JTQLQIEISA-N 492.980 6.971 50 10 JKGE CCN(CC)CCOC(=O)c1ccc(NC=C(C#N)c2nc(-c3ccc(Cl)cc3)cs2)cc1 2296048083 ZDBQUVCOHWGLTC-UHFFFAOYSA-N 481.021 5.939 50 10 JKGE CCCOc1ccc(-c2nn(-c3ccccc3)cc2C=C(C#N)C(=O)N[C@H](C)c2ccccc2)cc1 2296729394 GOSBPXAJLPPVAZ-JOCHJYFZSA-N 476.580 6.112 50 10 JKGE FC1(F)CC[C@@H]2[C@@H]([C@@H](Cl)c3c(Br)sc(Br)c3Br)[C@@H]21 2309460288 VZEFOQJDFFBAFL-LIJDECJQSA-N 485.413 6.607 50 10 JKGE CCOc1cc(C=C(C#N)C(=O)Nc2cccc(C)c2)cc(Cl)c1OCc1ccccc1F 2313541001 JFRSVDULMWMWGY-UHFFFAOYSA-N 464.924 6.311 50 10 JKGE COc1cc(C=C(C#N)c2ccc(Cl)cc2Cl)ccc1OCc1cccc(C(=O)O)c1 2313562410 RMJWCJMELUBGTB-UHFFFAOYSA-N 454.309 6.343 50 10 JKGE Brc1ccc(OCc2ccccc2)c([C@@H](Br)[C@@H]2OC[C@@H]3CCC[C@@H]32)c1 2314443006 DSKRBROVGQZFNT-YHEJVBIMSA-N 466.213 6.279 50 10 JKGE FC(F)CC1([C@H](Br)c2cc(Br)ccc2OCc2ccccc2)CCC1 2314454724 INCIRCWFYSXCRU-LJQANCHMSA-N 474.183 7.290 50 10 JKGE CCCCN1C(=O)C(=Cc2ccc(OCc3ccccc3Cl)c(OCC)c2)C(C)=C(C#N)C1=O 2314610355 GKJKYMBCRSDLSG-UHFFFAOYSA-N 478.976 5.710 50 10 JKGE CCOC(=O)C(C#N)=Cc1ccc(OC(=O)C=Cc2ccc(OCc3ccccc3)cc2)c(OC)c1 2314734466 ANKYRHYQXVMIKO-UHFFFAOYSA-N 483.520 5.363 50 10 JKGE C[C@H](Oc1ccc(Cl)cc1Cl)C(=O)Oc1ccc(C=C(C#N)c2cccc(Cl)c2)cc1 2318356227 BJTMKSUXEIQBQH-HNNXBMFYSA-N 472.755 7.084 50 10 JKGE N#CSc1ccc(NC(=O)Oc2ccc(CNC(=O)C=Cc3ccc([N+](=O)[O-])cc3)cc2)cc1 2329322576 OXFKFNKYPCIJKC-UHFFFAOYSA-N 474.498 5.108 50 10 JKGE COC(=O)c1ccc(C(C#N)=Cc2ccc(OCc3ccc(Cl)cc3Cl)c(OC)c2)o1 2331048419 BKHLJRKZFQGTNX-UHFFFAOYSA-N 458.297 6.025 50 10 JKGE CCCCc1ccc(-c2csc(C(C#N)=C(O)[C@@H]3CC(=O)N(Cc4ccccc4)C3)n2)cc1 2331255949 LDQCMRMGQOEUMO-JOCHJYFZSA-N 457.599 5.994 50 10 JKGE C[C@H](c1ccccc1)N1C[C@@H](C(O)=C(C#N)c2nc(-c3c[nH]c4ccccc34)cs2)CC1=O 2331347149 ZOWRUBBFRXIPGP-AEFFLSMTSA-N 454.555 5.694 50 10 JKGE N#CC(=C(O)c1c(Cl)ccc(Cl)c1Cl)c1nc(-c2ccc(Oc3ccccc3)cc2)cs1 2331358922 FOISDDBLMIRRBL-UHFFFAOYSA-N 499.806 8.512 50 10 JKGE COc1ccc(Cl)cc1-c1csc(C(C#N)=C(O)c2cc([N+](=O)[O-])cc([N+](=O)[O-])c2)n1 2331411763 LDALXPBKWMNWJS-UHFFFAOYSA-N 458.839 5.238 50 10 JKGE Cc1ccc(COc2ccc(C=C(C#N)c3nc(-c4ccc(Br)cc4)cs3)cc2)cc1 2331429889 QNFWMNXPWRNFED-UHFFFAOYSA-N 487.422 7.524 50 10 JKGE CC(C)c1ccc(-c2csc(C(C#N)=Cc3c(OCc4ccccc4)ccc4ccccc34)n2)cc1 2331457865 QGSZWNRJRGQKJF-UHFFFAOYSA-N 486.640 8.730 50 10 JKGE COc1ccc(-c2csc(C(C#N)=Cc3ccc(OC(=O)c4ccccc4)cc3)n2)c(C)c1C 2331468254 PZWNKYDRFCDKAR-UHFFFAOYSA-N 466.562 6.719 50 10 JKGE Brc1ccc(OCc2ccccc2)c([C@@H](Br)c2ccc3c(c2)COC3)c1 2336075199 NAYHUDHLBAYWSR-QFIPXVFZSA-N 474.192 6.543 50 10 JKGE FC(F)(F)C1([C@H](Br)c2sc(Cl)cc2I)CCOCC1 2338778482 LZMSLYPSOQXIDM-SECBINFHSA-N 489.522 5.801 50 10 JKGE COc1ccc(CC(=O)N(Cc2ccccc2)[C@@H](CBr)C(C)C)c(Br)c1 2338817853 SHYOCSUKTZYOKN-FQEVSTJZSA-N 483.244 5.449 50 10 JKGE Clc1ccc(C[C@@H]2CCCCCCC[C@H]2Br)c(I)c1 2341050040 LUINWLBMJILEEZ-SWLSCSKDSA-N 455.605 6.611 50 10 JKGE Brc1ccc([C@H](Br)c2cc3c(cc2Br)OCCC3)o1 2343580726 OCWFIMXKMSACST-CQSZACIVSA-N 450.952 5.614 50 10 JKGE Fc1c(Br)cc(Cl)c([C@H](Br)[C@@H]2CO[C@H]3COC[C@@H]23)c1Br 2362234070 FHUMTQYQKZQULI-LFLRCTCGSA-N 493.392 5.102 50 10 JKGE COc1c(Br)cc(C)c([C@@H](Cl)c2scc(C)c2Cl)c1Br 2365182562 BQJNQUWHYWNHOZ-GFCCVEGCSA-N 459.030 6.880 50 10 JKGE Oc1nc2ccc([C@H](Br)c3ccc(Cl)cc3I)cc2[nH]1 2365593480 UIHVEMYHDGIBOC-ZDUSSCGKSA-N 463.500 5.011 50 10 JKGE O=C(NCC[C@H]1CCCC[C@@H]1Br)c1ccc(Cl)cc1I 2365595973 PNFYMRWPWWXERF-MFKMUULPSA-N 470.576 5.018 50 10 JKGE COc1cc([C@H](Br)c2csc(C)c2Br)c(OC)cc1Br 2369587316 PHXUAYICIDXZDQ-AWEZNQCLSA-N 485.035 6.083 50 10 JKGE Cl[C@@H]1CC[C@H]2CCCN(Cc3ccc(I)c(Br)c3)[C@@H]2C1 2377334235 HUZRIYIVBPLAKP-XJKCOSOUSA-N 468.604 5.426 50 10 JKGE COc1ccc([C@H]2C(C#N)=C3N=C(N)c4ccccc4N3C3=C2C(=O)C[C@H](c2ccccc2)C3)cc1 3654381 TZPBTYBMBLUITM-HRFSGMKKSA-N 472.548 5.154 50 10 JKGE CCSc1sc(CC)cc1[C@@H]1C(C#N)=C(N)N(c2cccc(C)c2)C2=C1C(=O)CC(C)(C)C2 9982556 NKRCGWMHXONHDK-HSZRJFAPSA-N 477.699 6.672 50 10 JKGE Cc1ccc(Cl)cc1N/C(SCc1ccc(F)cc1)=C(/C#N)S(=O)(=O)c1ccccc1 20325330 IHKAWNMBSPZDHO-GHVJWSGMSA-N 472.994 6.299 50 10 JKGE CC(C)COc1nc(-c2ccc(Cl)c(Cl)c2)n(-c2ccc(NC(=O)C(C)(C)CCl)cc2)n1 35794368 LCSIUBVHFPZSKN-UHFFFAOYSA-N 495.838 6.479 50 10 JKGE CC(C)(C)c1ccc(N2C(=O)CS[C@H]2c2ccc(NC(=O)[C@H](Cl)c3ccccc3)cc2)cc1 35928128 HIHVVLTUJOWNLQ-RSXGOPAZSA-N 479.045 6.681 50 10 JKGE CC(C)(C)c1ccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)COc4ccccc4[N+](=O)[O-])ccc32)cc1 38649720 HDPDABALMMVYJI-SANMLTNESA-N 499.523 5.095 50 10 JKGE CC(C)(C)c1ccc(C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@@H]3c2cccc(Cl)c2)cc1 38651121 CIBVQXHMEAYHMQ-XMMPIXPASA-N 458.945 6.075 50 10 JKGE CCCCCOc1ccc(C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@H]3c2ccc([N+](=O)[O-])cc2)cc1 38654757 VFFFWAHIMQHXMP-SANMLTNESA-N 499.523 5.601 50 10 JKGE Cc1ccccc1OCC(=O)Oc1ccc2c(c1)OC(N)=C(C#N)[C@@H]2c1ccc(Cl)c(Cl)c1 38655747 FHMSAFVLLQKPAC-XMMPIXPASA-N 481.335 5.504 50 10 JKGE CSc1ccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)COc4ccccc4Cl)ccc32)cc1 38682372 BPMCJYWFOZEELN-DEOSSOPVSA-N 478.957 5.264 50 10 JKGE Cc1ccc2c(C)c(C(=O)Oc3ccc4c(c3)OC(N)=C(C#N)[C@@H]4c3ccccc3Cl)oc2c1 38687609 RCYRHGMFHRTGOB-XMMPIXPASA-N 470.912 6.140 50 10 JKGE COc1ccc(/C=N/N(C(=O)C2CCCCC2)c2nc3ccc(Br)cc3s2)cc1 39713835 OXEVPJQPPOMNQD-ZVHZXABRSA-N 472.408 6.015 50 10 JKGE O=C(CCCc1c(-c2ccc3ccccc3n2)[nH]c2ccccc12)NNC(=O)c1ccccc1F 39867147 LCCFXKFTDBXVHR-UHFFFAOYSA-N 466.516 5.306 50 10 JKGE Nc1c(NNC(=O)c2cccc3ccccc23)ncnc1N(Cc1ccccc1)Cc1ccccc1 40709608 WUKZXEYJOYJBPF-UHFFFAOYSA-N 474.568 5.176 50 10 JKGE CCCCOc1ccc(NC(=O)c2oc3c(c2C)/C(=N/NC(=O)c2ccccc2)CCC3)cc1 40804160 MPFIICVSVRLXGJ-QUPMIFSKSA-N 459.546 5.490 50 10 JKGE COC(=O)c1c(-c2ccc3c(c2)CCCC3)csc1NC(=O)/C(C#N)=C/c1ccc(C(C)C)cc1 41013191 NBOCQBNLHMZEFZ-ZVHZXABRSA-N 484.621 6.750 50 10 JKGE C=CCc1cc(/C=N\NC(=O)CC[C@@H](O)c2ccccc2)cc(OCC)c1OCc1ccc(C)cc1 58892245 DNPHLMXRJJACTE-CMKSJBIWSA-N 486.612 5.665 50 10 JKGE O=C(N/N=C1/C(=O)N(C(c2ccccc2)c2ccccc2)c2ccccc21)c1cc2ccccc2cc1O 59146318 ZGHJMAHQVUKRLR-XPXRSFDGSA-N 497.554 5.816 50 10 JKGE CCCOc1c(I)cc(/C=C(\C#N)C(=O)Nc2ccc(Cl)cc2)cc1OC 59483996 AQFJCTCKFOSRNJ-NTEUORMPSA-N 496.732 5.288 50 10 JKGE COc1ccc(/C=C(/C#N)C(=O)NCc2ccc(F)cc2)cc1OCc1cccc(C(F)(F)F)c1 96438833 KDENNLQBIURLKW-JAIQZWGSSA-N 484.449 5.655 50 10 JKGE CCOc1ccc(-n2c(C)cc(/C=C(/C#N)C(=O)O[C@@H](C)C(=O)N(CC)c3ccccc3)c2C)cc1 97654704 QRJLZSRFVJPGAS-WPJOPHNKSA-N 485.584 5.385 50 10 JKGE Cc1ccc(SS/C(Cl)=N\C(=C(C(F)(F)F)C(F)(F)F)C(F)(F)C(F)(F)F)cc1 103647070 RYJIABYNFROGKH-NCAUGAEKSA-N 497.782 7.906 50 10 JKGE COc1cc(Br)c([C@@H](Br)c2cc(Br)ccc2C)cc1OC 115746889 SOXJREHXIPGSSH-INIZCTEOSA-N 479.006 6.022 50 10 JKGE Clc1cc(Cl)cc([C@H](Br)c2cc(Br)c(Br)s2)c1 128236249 NXOSOZOTOAPLKO-JTQLQIEISA-N 479.846 7.064 50 10 JKGE CC(C)(C)c1ccccc1[C@@H](Br)c1cc(Br)c(Br)s1 132912082 ZRAJNBJLPJQUFF-CYBMUJFWSA-N 467.064 7.055 50 10 JKGE Cc1ccc(Br)c([C@@H](Cl)c2cc(Br)sc2Br)c1 161279782 UPGZZARHXFEVQV-LLVKDONJSA-N 459.428 6.672 50 10 JKGE CCOc1cc(Cl)c([C@@H](Cl)c2cc(Br)c(Br)s2)cc1Cl 164463605 HSVOOMBKEBRDQK-GFCCVEGCSA-N 479.448 7.307 50 10 JKGE CCOc1cc(CBr)cc(Br)c1OCc1cncc(Br)c1 167176575 KSOFZUCDMSALJU-UHFFFAOYSA-N 479.994 5.479 50 10 JKGE CCOc1cc(/C=N/NC(=O)Nc2ccccc2)ccc1OCc1c(Cl)cccc1Cl 169885058 ONNFFOLEYBCAFK-VULFUBBASA-N 458.345 6.127 50 10 JKGE COC(=O)c1c(-c2ccc3c(c2)CCCC3)csc1NC(=O)/C(C#N)=C\c1ccccc1OC 207209783 CTDMPBCZCRYXRH-STZFKDTASA-N 472.566 5.635 50 10 JKGE COc1ccc(NC(=O)/C(C#N)=C\Nc2cc(C(F)(F)F)cc(C(F)(F)F)c2)cc1OC 216737840 QOZBPFGCAUPHAC-KHPPLWFESA-N 459.346 5.199 50 10 JKGE Clc1sc([C@@H](Cl)c2cc(Br)ccc2Br)cc1Br 227839076 PIQWUKHMXMMLDR-JTQLQIEISA-N 479.846 7.017 50 10 JKGE CC12C[C@@H]3C[C@H](C1)CC([C@@H](Br)c1cc(Br)c(Br)s1)(C3)C2 228384969 TZMNKLAWZKIEFO-GFXGFFCFSA-N 483.107 7.316 50 10 JKGE CCOc1ccc([C@H](Br)c2ccc(Br)cc2F)cc1Br 228996502 OKBFVTQHKSRZSA-HNNXBMFYSA-N 466.970 6.234 50 10 JKGE C[C@H](Br)c1ccccc1NC(=O)c1cc(Cl)ccc1I 235411928 YGOXGGQBZJGJAJ-VIFPVBQESA-N 464.528 5.653 50 10 JKGE O=c1[nH]c2cc(Br)c([C@@H](Br)c3cc(Cl)sc3Cl)cc2[nH]1 236076389 IRMDKIMYPQIFQQ-SNVBAGLBSA-N 456.974 5.471 50 10 JKGE CCC(CC)OCC(CBr)(CBr)c1cccc(Br)c1 311580251 CMKUFTFWFHFRIH-UHFFFAOYSA-N 457.044 5.682 50 10 JKGE CCOc1ccc([C@@H](Br)c2ccc(OCc3ccccc3)cc2)c(Br)c1 311898726 PZGDTSRRVZDVTJ-QFIPXVFZSA-N 476.208 6.911 50 10 JKGE Cc1cc(C)c([C@H](Cl)c2ccc(Br)cc2Br)c(C)c1Br 380494619 YSRVPMDPLKVXMX-MRXNPFEDSA-N 481.453 7.228 50 10 JKGE CC(C)(C)[Si](C)(C)OCCc1ccc([C@@H]2COCCN(CCO[Si](C)(C)C(C)(C)C)C2)cc1 616599418 YIROJEAVUWMNDR-VWLOTQADSA-N 493.881 6.689 50 10 JKGE Cc1ccccc1C(CBr)(CBr)C[C@H](C)COCc1ccccc1 719446298 ZFNUKSNUFBTNHB-KRWDZBQOSA-N 454.246 6.266 50 10 JKGE C[C@@H]1CN(Cc2ccccc2)C[C@H]1CCn1c(CCl)nc2cc(I)ccc21 723746794 WRLNEYHOIUTTNJ-SJLPKXTDSA-N 493.820 5.538 50 10 JKGE Cc1ccc(Cl)cc1N1CCN(C(=O)/C(C#N)=C\c2ccc(-c3ccccc3Cl)o2)CC1 826663209 PSPIZTNFNZRJBQ-JXAWBTAJSA-N 466.368 5.818 50 10 JKGE COc1cccc(/C=C(/C#N)C(=O)Nc2cccc(Cl)c2Cl)c1OCc1ccccc1Cl 1084078536 QOAVFMGGWAQCGS-ATVHPVEESA-N 487.770 6.780 50 10 JKGE O=C(CC[C@@H](O)c1ccccc1)NN=Cc1ccc(OCc2ccc(Cl)c(Cl)c2)cc1 1084237704 GXPMISGOBIURCR-HSZRJFAPSA-N 457.357 5.536 50 10 JKGE O=C(Cc1ccccc1)NN=Cc1c(Oc2ccc(C(F)(F)F)cc2[N+](=O)[O-])ccc2ccccc12 1084358910 BKEZVOZRCLTEHR-UHFFFAOYSA-N 493.441 6.252 50 10 JKGE O=C(NN=Cc1ccc2c3c(cccc13)CC2)c1ccc(OCc2ccc(Br)cc2)cc1 1084430704 BSYBOHPUCYKFJG-UHFFFAOYSA-N 485.381 6.044 50 10 JKGE Cc1ccc(NC(=O)/C(C#N)=C/c2cn(CC(=O)Nc3ccc(F)cc3)c3ccccc23)cc1 1084542449 XLGMOTGIIQDUIB-XMHGGMMESA-N 452.489 5.273 50 10 JKGE CCOc1cc(C=NNC(=O)CC[C@@H](O)c2ccccc2)cc(Cl)c1OCc1ccccc1 1084594228 OKIIZEQYVMLNSD-HSZRJFAPSA-N 466.965 5.282 50 10 JKGE Cc1cc(OC(=O)c2oc3c(c2C)C(=NNC(=O)c2cccs2)CCC3)cc(C)c1Cl 1772750136 YFTYGHGKVDNFOS-UHFFFAOYSA-N 456.951 5.609 50 10 JKGE COc1cc(C=NNC(=O)COc2cc(Cl)ccc2Cl)ccc1OCc1ccc(Cl)cc1 1772752838 KUYPFNWKUQLHLM-UHFFFAOYSA-N 493.774 5.764 50 10 JKGE COc1ccc(-c2nn(-c3ccc(C)cc3)c3c2[C@@H](c2cccc4ccccc24)C(C#N)=C(N)O3)cc1 1865682629 UBBIOFPFLQZRHS-MHZLTWQESA-N 484.559 6.228 50 10 JKGE CCCCCOc1ccc([C@@H]2C(C#N)=C(N)Oc3c2c(C(F)(F)F)nn3-c2ccc(OC)cc2)cc1 1865690139 JOSKDXISDPWTIE-OAQYLSRUSA-N 498.505 5.687 50 10 JKGE CC(C)c1nc(Nc2ccc(SC#N)cc2)cc(N2CCC[C@H](C(=O)CCCc3ccccc3)C2)n1 1868231599 LTSVLBMQDBBUPP-QHCPKHFHSA-N 499.684 6.725 50 10 JKGE Cc1cccc(C)c1OCCC/C(O)=C(\C#N)c1nc(-c2ccc(Cl)cc2Cl)cs1 1872744671 CJYZGQDOVDLCMC-UZYVYHOESA-N 459.398 7.386 50 10 JKGE CCCCc1ccc(-c2csc(/C(C#N)=C(\O)CCc3ccc(OCC)c(OC)c3)n2)cc1 1872744900 NRDMWJYGMSYPCF-GYHWCHFESA-N 462.615 6.985 50 10 JKGE CC(C)c1ccccc1O[C@@H](C)/C(O)=C(\C#N)c1nc(-c2ccc(Br)cc2)cs1 1872746664 RVPOWRAPSCVHJH-RHNCAKJLSA-N 469.404 6.956 50 10 JKGE COc1ccc(C(C)(C)C)cc1-c1csc(/C(C#N)=C(\O)c2ccccc2Br)n1 1872751810 UXTQCAPPPVTMAK-FXBPSFAMSA-N 469.404 6.829 50 10 JKGE COc1cc(OC)c(-c2csc(/C(C#N)=C(\O)CCCOc3ccccc3C)n2)cc1Cl 1872756473 LLSXMNLKYGXNRF-JZJYNLBNSA-N 470.978 6.441 50 10 JKGE Cc1cc(C)c(-c2csc(/C(C#N)=C(\O)c3ccc4c(c3)C(=O)N(C3CCCCC3)C4=O)n2)c(C)c1 1872756860 DXEGJSUXYXALJK-RWEWTDSWSA-N 497.620 6.614 50 10 JKGE COc1cc(Cl)c(C)cc1-c1csc(/C(C#N)=C(\O)CCCOc2ccc(C(C)(C)C)cc2)n1 1872756934 IJWAUAFBLFKXNO-FLFQWRMESA-N 497.060 7.730 50 10 JKGE COc1cc(/C=C(\C#N)c2nc(C(C)C)cs2)ccc1OC(=O)c1ccc(Cl)cc1Cl 1872791883 WTYFDKXXABFNMT-OVCLIPMQSA-N 473.381 6.865 50 10 JKGE CC(C)(C)c1ccc(-c2csc(/C(C#N)=C/c3ccc(OCc4ccc(Cl)cc4)cc3)n2)cc1 1872792116 FSHUQQFOEKAXRQ-XQNSMLJCSA-N 485.052 8.404 50 10 JKGE Cc1cc(C)c(-c2csc(/C(C#N)=C/c3ccc(OCc4ccccc4C)cc3)n2)c(C)c1 1872793961 CJNYDANVQBCXLB-MFKUBSTISA-N 450.607 7.687 50 10 JKGE COc1ccc(C)cc1-c1csc(/C(C#N)=C(\O)CCCOc2ccc(C(C)(C)C)cc2)n1 1873921088 UPILSAALSGCDMB-GYHWCHFESA-N 462.615 7.077 50 10 JKGE Cc1cc(C(=O)N(Cc2ccccc2)[C@@H](CBr)C2CC2)sc1Br 1915313629 ONHMIGWOIVUKGM-HNNXBMFYSA-N 457.231 5.635 50 10 JKGE O=C(c1ccc(I)cc1)N(Cc1ccccc1)[C@@H](CBr)C1CC1 1915315273 VDXHKKHRDNDCOC-SFHVURJKSA-N 484.175 5.107 50 10 JKGE COc1ccc(Br)cc1C(=O)N(Cc1ccccc1)[C@@H](CBr)C(C)C 1915324152 VTNIIIJESKMMOG-SFHVURJKSA-N 469.217 5.520 50 10 JKGE Clc1cc([C@H](Cl)c2sc(Br)cc2Br)ccc1Br 1922944438 YSMJUFAOZLGJGP-JTQLQIEISA-N 479.846 7.017 50 10 JKGE Cl[C@@H](c1cnsc1)c1c(Br)sc(Br)c1Br 1924614504 YWWSRCQFRNSDAH-LURJTMIESA-N 452.418 5.820 50 10 JKGE C[C@H]1COc2ccc([C@H](Br)c3scc(Br)c3Br)cc21 1925670424 NBHXMGKXTKPSCL-MADCSZMMSA-N 467.020 6.253 50 10 JKGE Cl[C@@H](c1cc(Br)c(Br)s1)c1cscc1OCc1ccccc1 1934840591 YDVLOELFWVXMFS-OAHLLOKOSA-N 478.658 7.242 50 10 JKGE Cc1cc([C@H](Cl)c2cccc(Br)c2Br)sc1Br 1943903698 QOSKPOSNFRGPHK-LLVKDONJSA-N 459.428 6.672 50 10 JKGE Cc1ccc(Br)c([C@@H](Br)c2sc(Cl)cc2Br)c1 1948829744 WSWQYNCDXQTNNC-LLVKDONJSA-N 459.428 6.719 50 10 JKGE FC1(C[C@@H](Br)c2c(Br)sc(Br)c2Br)CCC1 1994684752 CCDOYAQZOQCIJR-RXMQYKEDSA-N 499.863 6.754 50 10 JKGE Cc1cc(Cl)c([C@@H](Br)c2sccc2I)cc1Cl 2023203521 ZISHKPADIFGDSO-LLVKDONJSA-N 461.977 6.452 50 10 JKGE Clc1csc([C@@H](Br)c2ccc(Br)cc2Br)c1Cl 2024283507 QPIXSWLEVIGZMB-VIFPVBQESA-N 479.846 7.064 50 10 JKGE CCc1sc(Br)cc1[C@@H](Cl)c1ccc(I)c(Cl)c1 2030222919 RZEKCVMOVYHHOB-ZDUSSCGKSA-N 476.004 6.659 50 10 JKGE CCOc1ccc(-c2nn(-c3ccccc3)cc2C=C(C#N)c2nc3ccccc3s2)c(C)c1 2040469186 BMOQGZPPJGBIHQ-UHFFFAOYSA-N 462.578 6.920 50 10 JKGE Fc1cc(Cl)c([C@@H](Br)c2sc(Br)cc2Br)cc1F 2049595005 GJGKXEJJEWWGAB-SNVBAGLBSA-N 481.381 6.689 50 10 JKGE Brc1cc([C@H](Br)c2cc3c(cc2Br)OCC3)ns1 2056496281 NLCLLYVVRGWGMQ-GFCCVEGCSA-N 453.981 5.087 50 10 JKGE FC(F)([C@H]1CCOC1)[C@H](Cl)c1c(Br)sc(Br)c1Br 2065535543 HSMPLXWMNQAAKV-MHTLYPKNSA-N 489.401 5.987 50 10 JKGE COc1cc(Cl)c([C@@H](Br)c2sncc2Br)cc1Br 2082384929 LZSIWBQARPLVLN-SNVBAGLBSA-N 476.415 5.814 50 10 JKGE C[C@@H]1Cc2cc([C@@H](Br)c3ccc(Br)o3)cc(Br)c2O1 2090467480 OAXJGZWGEXELNA-FUXBKTLASA-N 450.952 5.612 50 10 JKGE FC(F)(F)c1ccc([C@@H](Br)c2cc(Br)ccc2Br)o1 2090511747 KHGYYKKXFLCBRY-NSHDSACASA-N 462.885 6.308 50 10 JKGE COc1cc([C@H](Cl)c2cscc2OCc2ccccc2)c(OC)cc1Br 2100090962 FGHWIDXCUBEHIM-FQEVSTJZSA-N 453.785 6.435 50 10 JKGE Cc1sc(Br)c([C@@H](Br)c2cc(F)c(Br)cc2F)c1C 2101003663 NLORNRSWXPAMGV-LBPRGKRZSA-N 474.990 6.652 50 10 JKGE CC(C)CO[C@@H]1[C@@H](Br)C[C@H]1Oc1ccc(Br)cc1Br 2109256742 FHHGQEKRZTWLKX-IACUBPJLSA-N 457.000 5.167 50 10 JKGE Clc1cc(Br)c(OCc2snc(Cl)c2Cl)c(CBr)c1 2110935406 UGPDBRBBVSMRKR-UHFFFAOYSA-N 466.409 6.340 50 10 JKGE Cc1cc(Br)c(CBr)c(N2CC[C@@H]3CN(Cc4ccccc4)C[C@H]3C2)c1 2116826670 VUMIGTDEMHRUGV-MOPGFXCFSA-N 478.272 5.611 50 10 JKGE CO[C@H]1CC[C@@H]1CCOc1c(Br)cc(Br)cc1CBr 2130343077 AYNMMWWWASMJEA-RNCFNFMXSA-N 457.000 5.300 50 10 JKGE COc1cc(Br)c(C(=O)N(Cc2ccccc2)[C@@H](C)CCBr)cc1OC 2132545929 YJYSAOKEBPECOH-AWEZNQCLSA-N 485.216 5.282 50 10 JKGE CN(c1ccc(Br)cc1CBr)[C@@H]1C[C@@H]2C[C@H](OCc3ccccc3)C[C@@H]21 2134020152 UDXPJJYFCZYSDI-RAWXMELESA-N 479.256 6.164 50 10 JKGE C[C@H]1CCC[C@](CI)(OCc2cc(Cl)ccc2Br)C1 2135982672 HNFAYLWPBLJARX-NHYWBVRUSA-N 457.577 6.003 50 10 JKGE Cc1cc(CN(C)c2cc(Br)ccc2CBr)sc1Br 2137585914 BATKNMIESIXZFF-UHFFFAOYSA-N 468.052 6.113 50 10 JKGE Cc1cc(F)c(F)cc1[C@H](Cl)c1ccc(Br)cc1I 2142280118 ZDLSBDBYXZVDAL-CQSZACIVSA-N 457.483 5.969 50 10 JKGE FC(F)(F)c1csc([C@@H](Cl)Cc2ccccc2I)c1Br 2143868920 UBUIMBZBDPSYGM-VIFPVBQESA-N 495.529 6.657 50 10 JKGE CC(C)(CBr)[C@@H]1CCCN1C(=O)c1cc(Br)ccc1Br 2155822587 CZFCFARSGBTCCP-ZDUSSCGKSA-N 468.027 5.237 50 10 JKGE CCc1nc([C@H](Br)c2cc(Br)c(C)cc2OC)c(Br)s1 2169488541 SBGQLBXOQGSLKI-GFCCVEGCSA-N 484.051 6.032 50 10 JKGE Clc1cc2c(cc1[C@@H](Br)c1cc(Br)c(Cl)s1)OCCO2 2172568607 DNKOOPXDRVZLPT-GFCCVEGCSA-N 458.986 6.073 50 10 JKGE CCCOc1ccc([C@@H](Cl)c2cc(Br)c(Cl)s2)cc1Br 2172570039 STRMHMMIMABDTM-CYBMUJFWSA-N 459.030 7.044 50 10 JKGE CCCCO[C@@H]1[C@H](Cl)C[C@H]1Oc1c(Br)cc(Br)cc1Br 2175005420 ZXOVYPKCJKOKFX-YRGRVCCFSA-N 491.445 5.918 50 10 JKGE Cc1c(Br)ccc([C@H](Br)[C@@H]2COc3ccccc32)c1Br 2203685048 IYUFADAKBIFTFH-WBMJQRKESA-N 460.991 6.132 50 10 JKGE Cc1sc([C@@H](Br)c2cc(Cl)c(Br)s2)c(C)c1Br 2213748179 IVCUYVLEJYEAPQ-VIFPVBQESA-N 479.484 7.089 50 10 JKGE BrCc1cc(Br)ccc1N1[C@H]2CCC[C@@H]1CN(Cc1ccccc1)C2 2219192272 KTDYBKSHXOOCAO-BGYRXZFFSA-N 464.245 5.587 50 10 JKGE CCOCc1cc(Br)c([C@@H](Cl)c2ccc(I)cc2)s1 2224797543 YTJYADUOGHDMNE-ZDUSSCGKSA-N 471.585 5.980 50 10 JKGE COc1cc(CBr)cc(Br)c1OCc1cscc1Br 2227097891 KSIOUBIJUWRYAF-UHFFFAOYSA-N 471.008 5.756 50 10 JKGE Cc1cc(F)cc([C@H](Br)c2c(Br)cc(Cl)c(Cl)c2Cl)c1 2232510237 GNNXMRTUZYLMJY-LBPRGKRZSA-N 461.383 7.341 50 10 JKGE Clc1cc(Br)c([C@H](Br)[C@@H]2CO[C@@H]3COC[C@H]32)c(Cl)c1Cl 2232515186 XRRJJLYUDWWCTF-WQRVWIMNSA-N 465.396 5.507 50 10 JKGE Clc1cc(Br)c([C@H](Br)[C@@]23CCC[C@@H]2OCC3)c(Cl)c1Cl 2232518939 HXCAOJLLIOOWBR-QCZZGDTMSA-N 463.424 6.805 50 10 JKGE Fc1cc(Br)c(Br)cc1[C@@H](Br)C1(CC(F)(F)F)CCC1 2233974004 CLLGIGKFGLITSB-LLVKDONJSA-N 482.935 6.909 50 10 JKGE COc1cc([C@@H](Br)Cc2ccc(Br)cc2Cl)ccc1Br 2237449458 XPZWACBOBJTRLD-ZDUSSCGKSA-N 483.425 6.552 50 10 JKGE CCc1cc([C@H](Br)c2ccc(Br)cc2Cl)sc1Br 2255987925 GBCNGJKZBSCCSA-GFCCVEGCSA-N 473.455 6.973 50 10 JKGE FC1CC2(C1)CC([C@H](Cl)c1c(Br)sc(Br)c1Br)C2 2259595227 ZIDIOFOUAQKDEQ-GZFGJCLDSA-N 481.450 6.844 50 10 JKGE Cc1cc(Cl)c(Cl)cc1[C@H](Br)c1cccc(C)c1I 2264368733 MZMBTYYSVUOPTH-CQSZACIVSA-N 469.975 6.699 50 10 JKGE COC[C@]1(C)C[C@H]1COc1c(Br)cc(CBr)cc1Br 2269280579 OBVNQKYWVWXLGB-HZMBPMFUSA-N 457.000 5.158 50 10 JKGE Cc1cc(Br)c([C@@H](Br)C2CC3(CC(F)C3)C2)cc1Br 2272086839 FLAHDIOKVUUIOA-RZFYTTHBSA-N 455.003 6.484 50 10 JKGE Fc1cc(Br)c(F)c(Br)c1[C@H](Br)[C@H]1CC12CCOCC2 2288344997 BFUXHYHJVXJUIJ-RDDDGLTNSA-N 474.965 5.743 50 10 JKGE CCCC1CCC([C@H](Br)Cc2cc(Br)cc(Br)c2)CC1 2295333215 HRBJYVPEVIOEJF-MKTAYPAQSA-N 467.083 7.124 50 10 JKGE Cc1cc([N+](=O)[O-])ccc1NC(=O)C(C#N)=Cc1ccc(OC(=O)c2ccc(Cl)c(Cl)c2)cc1 2297551333 BBOUJINFBJSWAR-UHFFFAOYSA-N 496.306 5.975 50 10 JKGE C[S@@](=O)(=NC=C(C#N)C(=O)c1ccccc1)c1ccc(OC(=O)c2ccc(Cl)cc2)cc1 2297564425 VGCMVZYDLIQUAJ-YTTGMZPUSA-N 464.930 5.306 50 10 JKGE Brc1cc(OCc2ccccc2)cc2c1CC[C@H](C1CC1)C[C@@H]2Br 2299516722 DPBWGLPDAUFHBT-JXFKEZNVSA-N 450.214 6.827 50 10 JKGE Brc1ccc(OCc2ccccc2)c([C@H](Br)C[C@@H]2CC[C@@H]3C[C@H]23)c1 2299531488 WNGKYMSEXDDVNQ-NDUPCHFUSA-N 450.214 6.900 50 10 JKGE C[C@@H]1CC[C@@H](Cc2ccc(I)c(Br)c2)[C@@H](Br)C1 2306198600 CSKUBUPAMPNMBB-USWWRNFRSA-N 472.002 5.796 50 10 JKGE FC(F)(F)C[C@@H](Br)CCc1ccc(I)c(Br)c1 2306223637 HRNKODQHSJFHRZ-QMMMGPOBSA-N 485.907 5.702 50 10 JKGE Cc1cc(C=C(C#N)C(=O)Nc2cccc(Cl)c2Cl)c(C)n1-c1ccc(F)c(Cl)c1 2313570678 CTKCUPRNQLPIES-UHFFFAOYSA-N 462.739 6.739 50 10 JKGE COc1cccc(C=C(C#N)C(=O)Nc2ccccc2)c1OCc1ccc(Cl)cc1Cl 2313630642 QAAPAYNICTVJDG-UHFFFAOYSA-N 453.325 6.127 50 10 JKGE Fc1cccc(F)c1[C@H](Br)c1ccc(OCc2ccccc2)cc1Br 2314449437 QDBBZRGHDZVASH-HXUWFJFHSA-N 468.135 6.791 50 10 JKGE COc1cccc2cc(-c3nn(-c4ccccc4)cc3C=C(C#N)C(=O)NCc3ccco3)oc12 2314450791 SLSCHIDOZDYUBB-UHFFFAOYSA-N 464.481 5.110 50 10 JKGE C[C@H](C[C@H](Br)c1cc(Br)ccc1OCc1ccccc1)CC(C)(C)C 2314492339 WJWCZAWZKJMHJW-UZLBHIALSA-N 468.273 7.927 50 10 JKGE Cc1c(Cl)sc(Cl)c1[C@H](Br)c1c(Br)cccc1Br 2314519772 AMDSGMHTVSSXCX-JTQLQIEISA-N 493.873 7.373 50 10 JKGE CCOC(=O)c1ccc(-c2ccc(C=C3C(=O)N(Cc4ccc(C)cc4)C(=O)C(C#N)=C3C)o2)cc1 2314617332 WEXMCIYUYYAZPC-UHFFFAOYSA-N 480.520 5.224 50 10 JKGE COc1cc(C=C(C#N)C(=O)NCCc2ccccc2)ccc1OCc1c(Cl)cccc1Cl 2314739507 BNFVBQIJSKBMBU-UHFFFAOYSA-N 481.379 5.847 50 10 JKGE COC(=O)c1c(NC(=O)C(C#N)=Cc2ccc(OC)cc2)sc(C)c1-c1ccc(F)cc1 2314761035 NWMOSNYWWGOCPR-UHFFFAOYSA-N 450.491 5.204 50 10 JKGE COc1cc(C=C(C#N)C(=O)NCc2ccco2)ccc1OC(=O)c1sc2ccccc2c1Cl 2314792553 UKHZEQMEFDERFB-UHFFFAOYSA-N 492.940 5.599 50 10 JKGE Clc1cc(I)c([C@@H](Br)c2ccc3c(c2)CCO3)s1 2316658292 HQFZOBWOEBJPOU-LBPRGKRZSA-N 455.542 5.425 50 10 JKGE C[C@H]1CC2CC([C@H](Br)c3c(Br)sc(Br)c3Cl)(C2)O1 2319524748 ZRGCLBSRXZCIOJ-SXIVNMFKSA-N 479.459 6.320 50 10 JKGE CCOc1ccc(C)cc1[C@H](C)NC=C(C#N)C(=O)Nc1ccccc1Sc1ccccc1 2325336115 AHDUWPWSUOJDEG-FQEVSTJZSA-N 457.599 6.242 50 10 JKGE COc1ccc(-c2csc(C(C#N)=C(O)CNC(=O)c3ccc(C(C)(C)C)cc3)n2)cc1OC 2331242302 MSCAPQLLDFVFTJ-UHFFFAOYSA-N 477.586 5.347 50 10 JKGE CCOC(=O)Oc1ccc(C(O)=C(C#N)c2nc(-c3ccc(OC)c(OC)c3)cs2)cc1 2331242358 SJEGCLLZOJCSRS-UHFFFAOYSA-N 452.488 5.312 50 10 JKGE CCCOc1ccc(-c2csc(C(C#N)=C(O)c3ccc(OC(=O)OCC)cc3)n2)cc1 2331315920 HWSRGQPVBHELDB-UHFFFAOYSA-N 450.516 6.084 50 10 JKGE Cc1ccc(C(C)(C)C)cc1-c1csc(C(C#N)=C(O)[C@@H](C)Oc2ccc(C(C)C)cc2)n1 2331397212 VOTCQFHBVRTXCT-LJQANCHMSA-N 460.643 7.800 50 10 JKGE Cc1cc(Br)c([C@H](Br)[C@@H]2CC[C@@H]3C[C@H]2CO3)cc1Br 2334116019 TYJLZFDGQIBZBM-MYQWFSQQSA-N 453.012 5.771 50 10 JKGE COCc1cccc([C@H](Br)c2cc(Br)ccc2OCc2ccccc2)c1 2336041022 KKPCPMYDBLPFBK-QFIPXVFZSA-N 476.208 6.659 50 10 JKGE CO[C@@H]1C[C@]2([C@H](Br)c3c(C)cc(Br)c(F)c3Br)C[C@@H]12 2339681542 JIPQGZJPHZRZBM-WNTHFPTOSA-N 456.975 5.520 50 10 JKGE Cc1sc([C@@H](Cl)c2c(F)cc(Cl)c(Br)c2Cl)c(C)c1Br 2360489995 UDFFDRCWKRPOHU-LBPRGKRZSA-N 481.439 7.664 50 10 JKGE Fc1c(Br)cc(Cl)c([C@H](Cl)[C@@H]2[C@@H]3CCC(F)(F)[C@H]32)c1Br 2362233110 WNVHXXWIERJQSH-BBYJEXDRSA-N 452.923 6.575 50 10 JKGE CCN(C[C@@](C)(CBr)OCc1c(F)cc(OC)cc1Cl)C(=O)OC(C)(C)C 2364642872 ZLKDCVKWDNMSMX-LJQANCHMSA-N 468.791 5.415 50 10 JKGE COc1cc([C@H](Cl)c2c(F)cc(Br)c(F)c2Br)sc1Cl 2365839773 DWMVBFAOJVRQPQ-JTQLQIEISA-N 466.956 6.542 50 10 JKGE CCc1cc(Br)c([C@H](Br)CCc2cc(Cl)cc(Cl)c2)s1 2366791476 BJIVYRPOPDJDFM-CYBMUJFWSA-N 457.058 7.449 50 10 JKGE O=C(N[C@H](CCBr)COCc1ccccc1)c1ccc(Cl)cc1C(F)(F)F 2369434706 ZQVICDNIKJPSSJ-OAHLLOKOSA-N 464.709 5.459 50 10 JKGE Cl[C@@H]1[C@H](CNCc2ccc(I)c(Br)c2)CCC12CCC2 2377331188 IHZJGDUKOKRWHD-SWLSCSKDSA-N 468.604 5.331 50 10 JKGE N#CC1=C(N)OC2=C(CN(Cc3ccccc3)C/C2=C/c2ccc(F)cc2)[C@@H]1c1ccc(F)cc1 2301012 QKHMTTXGMAZSLK-KBMSDVMXSA-N 467.519 5.626 50 10 JKGE O=C(N/N=C/c1ccc(-c2cccc(Cl)c2)o1)C(=O)Nc1ccc(Oc2ccccc2)cc1 2961482 ARFBEYZFUPLKIO-JVWAILMASA-N 459.889 5.481 50 10 JKGE ClCCN(CCCl)c1ccc(Oc2ccc(N(CCCl)CCCl)cc2)cc1 3602522 GEKLCOCNHHAYOT-UHFFFAOYSA-N 450.237 6.047 50 10 JKGE COc1ccccc1[C@@H]1C(C#N)=C2N=C(N)c3ccccc3N2C2=C1C(=O)C[C@@H](c1ccccc1)C2 3654387 WDMRADXDALLKPM-UZTOHYMASA-N 472.548 5.154 50 10 JKGE CCOc1cc(/C=N/NC(=O)CSc2nc3ccccc3[nH]2)ccc1OCc1cccc(Cl)c1 32520559 DJAXYANOVTVITA-MZJWZYIUSA-N 495.004 5.436 50 10 JKGE Cc1cc(/C=C(/C#N)C(=O)NCc2ccccc2)c(C)n1-c1ccc(N2CCCCC2)c([N+](=O)[O-])c1 33482009 YGTJBBIJVQPARV-JLPGSUDCSA-N 483.572 5.216 50 10 JKGE CCOc1cc(/C=C(/C#N)c2nc3ccccc3[nH]2)cc(Br)c1OCc1ccccc1 33664194 JNRWAWONNMKLML-UNOMPAQXSA-N 474.358 6.367 50 10 JKGE CC[C@@H](C)c1ccc(OCCOc2ccc(/C=C(/C#N)C(=O)Nc3cccc(C)c3)cc2OC)cc1 34793457 MTSQJKIFNRYAMD-ZYGWBPEKSA-N 484.596 6.521 50 10 JKGE N#CC1=C(N)Oc2cc(OC(=O)c3cc([N+](=O)[O-])ccc3Cl)ccc2[C@H]1c1cccc(Cl)c1 38651273 QBZMOFNOQTUXNL-OAQYLSRUSA-N 482.279 5.339 50 10 JKGE C[C@@H](Oc1ccccc1F)C(=O)Oc1ccc2c(c1)OC(N)=C(C#N)[C@H]2c1cccc2ccccc12 38657828 DIYYELKOHJSRIJ-CRYYWNKWSA-N 480.495 5.570 50 10 JKGE N#CC1=C(N)Oc2cc(OC(=O)COc3ccc(Cl)cc3)ccc2[C@@H]1c1c(F)cccc1Cl 38680201 OLHVVFDPHWILPM-QFIPXVFZSA-N 485.298 5.335 50 10 JKGE COc1ccc(OC)c([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4oc5cc(C)ccc5c4C)ccc32)c1 38688741 ZHOGABHOBVNVCZ-SANMLTNESA-N 496.519 5.504 50 10 JKGE C/C(=N/NC(=O)COc1ccc(-c2ccc(C#N)cc2)cc1)c1ccc2c(c1)Nc1ccccc1S2 59520723 XJCPZCDVVFCLKO-MZFJOGFUSA-N 490.588 6.353 50 10 JKGE Cc1nn(C)c(C[C@@H](CBr)Cc2cccc(Br)c2)c1Br 97184706 ZYQJVELBFMYPLT-LBPRGKRZSA-N 465.027 5.050 50 10 JKGE COc1ccc(C[C@@H](CBr)Cc2ccccc2Br)cc1Br 97185854 XQWAXJHQUJUCMP-CYBMUJFWSA-N 477.034 6.017 50 10 JKGE COc1ccc(Br)c(C[C@@H](CBr)Cc2ccccc2Br)c1 97185905 MLPLSEZISJCETC-LBPRGKRZSA-N 477.034 6.017 50 10 JKGE N#C/C(=C/c1cccc2ccccc12)C(=O)Nc1ncc(Cc2cc(Cl)ccc2Cl)s1 97990499 NAUHCQBMILOAHE-ZDLGFXPLSA-N 464.377 6.740 50 10 JKGE CCCCCCCOc1ccc(/C=C2/C(=O)N(CCCOC(C)C)C(=O)C(C#N)=C2C)cc1 101336321 SWSVHCYRMJKVDP-HKOYGPOVSA-N 452.595 5.443 50 10 JKGE CCOC(=O)c1sc(N/C=C(\C#N)c2nc(-c3ccccc3)cs2)c(C(=O)OCC)c1C 103627364 PDHUHHRDSYPRBZ-FOWTUZBSSA-N 467.572 5.510 50 10 JKGE Cc1cc(Br)c([C@H](Br)[C@H]2COc3ccccc3O2)cc1Br 128776832 IBVVXEAKXZMTNX-CVEARBPZSA-N 476.990 5.796 50 10 JKGE Clc1cc([C@@H](Br)c2ccc(Br)c3ccccc23)ccc1Br 129200868 WARDPSBDNDLDEO-QGZVFWFLSA-N 489.432 7.503 50 10 JKGE Cc1ccc2ccccc2c1[C@@H](Br)c1cc(Br)c(Br)s1 161101790 WXWYFEPVPAKTTC-HNNXBMFYSA-N 475.043 7.219 50 10 JKGE COc1ccc(NC(=O)/C(C#N)=C\c2c(C)nn(Cc3ccc(F)cc3)c2Cl)cc1Cl 205774748 SAMBXTDJBWWCOF-DHDCSXOGSA-N 459.308 5.240 50 10 JKGE Cc1cc(C)cc(P(c2cc(C)cc(C)c2)[C@@H](C)[c-]2cccc2P(c2ccco2)c2ccco2)c1 206531553 HSBADTKRKIAIMS-VWLOTQADSA-N 497.535 6.777 50 10 JKGE CC[C@@H](C)[C@@H](c1ccccc1)[C@@H](Br)c1cc(Br)sc1Br 217557860 GNVAUDFLRIMIRY-ONERCXAPSA-N 481.091 7.539 50 10 JKGE Fc1ccc(C[C@H](Br)c2cc(I)ccc2Br)cc1 236170482 FTPUINOCZPPDGZ-AWEZNQCLSA-N 483.944 5.872 50 10 JKGE COc1ccc(C(=O)NN=Cc2cc(Cl)c(OCc3ccc(Cl)cc3)c(OC)c2)cc1 252598474 DBJHOUBIGGRJFF-UHFFFAOYSA-N 459.329 5.354 50 10 JKGE COc1ccc(-c2cc(C(=O)NN=C(C)c3ccc(NC(C)=O)cc3)c3ccccc3n2)cc1OC 252610519 IBWZKVDEBZGKDN-UHFFFAOYSA-N 482.540 5.031 50 10 JKGE CCCOc1ccc(-c2nn(-c3ccccc3)cc2C=NNC(=O)c2cccc(OC)c2)cc1 263626562 LDZCOMXXKDJKIX-UHFFFAOYSA-N 454.530 5.101 50 10 JKGE C[C@@H]1CN(Cc2ccccc2)C[C@@H]1n1c(CCCl)nc2cc(F)c(Br)cc21 389875939 UHMPCWXBQPGXQF-VLIAUNLRSA-N 450.783 5.412 50 10 JKGE C[C@@H]1CN(Cc2ccccc2)CC[C@@H]1n1c(CCl)nc2cc(I)c(F)cc21 397985209 YPSIGEBNJQYWBA-KUHUBIRLSA-N 497.783 5.602 50 10 JKGE CCOc1ccc([C@@H](Br)c2nscc2Br)c(Br)c1 404804842 MRROUJYAEAIXBD-LLVKDONJSA-N 455.997 5.551 50 10 JKGE C[C@H](Cc1cc(=O)c2c3c(c4ccccc4c2o1)O[C@@H]1CC(=O)O[C@@H]31)O[Si](C)(C)C(C)(C)C 504454689 JGZYPNASVFRGCR-LNMSCABWSA-N 466.606 5.648 50 10 JKGE CC(C)(C)[Si](C)(C)OCCc1cccc([C@H]2CN(CCO[Si](C)(C)C(C)(C)C)CCN2)c1 616601170 PGHJCJJCZURTFG-XMMPIXPASA-N 478.870 6.219 50 10 JKGE C[C@]12CN(Cc3ccccc3)C[C@@H]1CN(c1cccc(Br)c1CBr)C2 702109282 PYSNJMWZNIUWQW-DYESRHJHSA-N 464.245 5.302 50 10 JKGE Fc1cccc([C@@H](Br)c2ccc(Br)cc2)c1I 721670950 AULFSBYFZNTATI-LBPRGKRZSA-N 469.917 5.677 50 10 JKGE Cc1sc([C@@H](Br)Cc2cccc(Br)c2)c(C)c1Br 724928809 RBADKAASRUWLJT-LBPRGKRZSA-N 453.037 6.569 50 10 JKGE N#C/C(=C\c1cn(Cc2ccccc2C#N)c2ccccc12)C(=O)Nc1cccc(Cl)c1Cl 1084099557 KQICXVASLINWCR-XDHOZWIPSA-N 471.347 6.414 50 10 JKGE O=C(NN=Cc1ccc(OCc2ccc3ccccc3c2)c(Br)c1)c1cc2ccccc2o1 1084118389 NRVPTUCOASSLSM-UHFFFAOYSA-N 499.364 6.691 50 10 JKGE Cc1cc(C=NNC(=O)c2cc3cc(Br)ccc3o2)c(C)n1-c1ccccc1C(=O)O 1084161761 ISBJGZKKVNVKMD-UHFFFAOYSA-N 480.318 5.065 50 10 JKGE C=CCOc1ccc(C=NNC(=O)c2ccc(-n3c(C)ccc3-c3ccccc3)cc2)cc1CC=C 1084641393 ZBWIVYKEJUWONS-UHFFFAOYSA-N 475.592 6.510 50 10 JKGE Cc1ccc(CSCC(=O)NN=Cc2c(Br)c(C)n(-c3ccc(C)cc3C)c2C)cc1 1084655474 YOUOLZYUUXPMSC-UHFFFAOYSA-N 498.490 6.165 50 10 JKGE COc1cc(/C=C(/C#N)C(=O)Nc2cccc(Cl)c2C)cc(Br)c1OC(C)C 1084655494 HMWATHNTNXXHSU-NVNXTCNLSA-N 463.759 5.752 50 10 JKGE COc1cc(C=NNC(=O)CSc2cccc3ccccc23)ccc1OCc1ccc(Cl)cc1 1565518861 KTMLGVLUWAKAGN-UHFFFAOYSA-N 491.012 6.323 50 10 JKGE COc1ccccc1C(=O)NN=C1CCCc2oc(C(=O)Oc3cccc4ccccc34)c(C)c21 1772745979 MZFMLQVLIHTSLQ-UHFFFAOYSA-N 468.509 5.439 50 10 JKGE Cc1c(C(=O)Nc2cc(C(F)(F)F)ccc2Cl)oc2c1C(=NNC(=O)c1ccccn1)CCC2 1772746868 HWBUZLYQVJMTPU-UHFFFAOYSA-N 490.869 5.378 50 10 JKGE Cc1c(C(=O)N2CCCCCC2)oc2c1C(=NNC(=O)COc1ccc(Cl)cc1Cl)CCC2 1772748534 ASHWHLQYZQLIAI-UHFFFAOYSA-N 492.403 5.147 50 10 JKGE Cc1cc(Cl)ccc1NC(=O)c1oc2c(c1C)C(=NNC(=O)COc1ccccc1)CCC2 1772749107 HKXQGFDPMCENCJ-UHFFFAOYSA-N 465.937 5.038 50 10 JKGE CC(C)(c1ccccc1)c1ccc(OCC(=O)NN=Cc2ccc(OCc3ccccc3)cc2)cc1 1772754226 FQGKSNUAGXHSLW-UHFFFAOYSA-N 478.592 6.121 50 10 JKGE N#CSc1ccc(NC(=O)Oc2ccc(CNC(=O)c3ccc(F)c(F)c3F)cc2)cc1 1858906660 YGZWIHPXBRXFEY-UHFFFAOYSA-N 457.433 5.218 50 10 JKGE COc1ccc([C@H]2C(C#N)=C(N)Oc3c2c(-c2ccccc2)nn3Cc2ccccc2Cl)cc1O 1865681937 BEEJUWMKEREEOY-QHCPKHFHSA-N 484.943 5.184 50 10 JKGE Cc1nn(Cc2c(F)cccc2Cl)c2c1[C@H](c1ccc(Cl)cc1Cl)C(C#N)=C(N)O2 1865685025 CKBWKBHYZHYSIF-LJQANCHMSA-N 463.727 5.557 50 10 JKGE CCCc1nn(-c2ccccc2Cl)c2c1[C@H](c1ccc(Cl)c(Cl)c1)C(C#N)=C(N)O2 1865686371 VQMYNUQCMNVWRC-LJQANCHMSA-N 459.764 6.003 50 10 JKGE COc1ccc(-c2nn(CC(C)C)c3c2[C@@H](c2c(F)cccc2Cl)C(C#N)=C(N)O3)cc1 1865686489 WWGYNFMERLQWHD-LJQANCHMSA-N 452.917 5.225 50 10 JKGE CCCCOc1ccc([C@H]2C(C#N)=C(N)Oc3c2c(CCC)nn3-c2ccccc2)cc1OCC 1865686891 DLTMDCWDVVVXOJ-VWLOTQADSA-N 472.589 5.621 50 10 JKGE CCCc1nn(-c2cccc3ccccc23)c2c1[C@H](c1cccc(OC)c1OC)C(C#N)=C(N)O2 1865700705 BMMOEXVIGRLKJL-XMMPIXPASA-N 466.541 5.213 50 10 JKGE CCCc1nn(Cc2ccc(Cl)cc2)c2c1[C@H](c1ccccc1OC(C)C)C(C#N)=C(N)O2 1865704658 BDKIZBWUTBZBCH-HSZRJFAPSA-N 462.981 5.543 50 10 JKGE CC(C)Cn1nc(-c2ccccc2)c2c1OC(N)=C(C#N)[C@@H]2c1cccc(OCc2ccccc2)c1 1865711945 LVGFEHHBQPNVJI-SANMLTNESA-N 476.580 6.003 50 10 JKGE Cc1nc(-c2ccc(Cl)c(Cl)c2)ccc1C(=O)N/N=C\c1ccc(C(F)(F)F)cc1 1865762465 HZVLMQDOPTZLOL-BCHBDCPOSA-N 452.263 6.147 50 10 JKGE CC(C)c1ccc([C@@H](C(=O)N[C@@H](Cc2ccccc2)C(=O)Nc2ccc(SC#N)cc2)C(C)C)cc1 1866965296 IGBZGHCVRWBARV-NSOVKSMOSA-N 499.680 6.489 50 10 JKGE CC(C)[C@H](C(=O)N[C@@H](C(=O)Nc1ccc(SC#N)cc1)c1ccccc1)c1ccc(F)cc1 1866970689 DAOVFMVYPMHURT-BJKOFHAPSA-N 461.562 5.635 50 10 JKGE CC[C@H](NC(=O)[C@H](c1ccc(Cl)c(Cl)c1)C(C)C)C(=O)Nc1ccc(SC#N)cc1 1866992525 UMSYPZSHYNKMHU-PMACEKPBSA-N 464.418 5.840 50 10 JKGE CCCC[C@@H](NC(=O)Cc1ccc2nc(O)c(C(C)C)cc2c1)C(=O)Nc1ccc(SC#N)cc1 1867067177 KSQWDTJRWSIXIL-XMMPIXPASA-N 490.629 5.493 50 10 JKGE Cc1ccc(C)c(-c2csc(/C(C#N)=C(\O)c3ccc4c(c3)C(=O)N(c3ccc(F)cc3)C4=O)n2)c1 1872750046 UNEPKKGKCVKJKP-BZZOAKBMSA-N 495.535 6.317 50 10 JKGE CC[C@@H](C)[C@H](/C(O)=C(\C#N)c1nc(-c2ccc(C(C)(C)C)cc2)cs1)N1C(=O)c2ccccc2C1=O 1872751154 UESNKORUSIIABN-SBIXNHRYSA-N 499.636 6.611 50 10 JKGE COc1ccc(-c2csc(/C(C#N)=C(\O)c3ccc(N4CCCC4)c([N+](=O)[O-])c3)n2)cc1F 1872752918 YVLXIRODJMILJK-JWGURIENSA-N 466.494 5.416 50 10 JKGE COc1cc(C)c(-c2csc(/C(C#N)=C(\O)c3cc(Cl)ccc3Cl)n2)cc1C(C)C 1872753820 OHRSEWRKPYCLFC-PYCFMQQDSA-N 459.398 7.507 50 10 JKGE CCOc1ccc(OCC)c(-c2csc(/C(C#N)=C(\O)CCc3ccc(OCC)c(OC)c3)n2)c1 1872754853 LZWBSWZFHQUVRN-LNVKXUELSA-N 494.613 6.440 50 10 JKGE COc1ccc(OCCC/C(O)=C(\C#N)c2nc(-c3cc(Cl)c(OC)cc3OC)cs2)cc1 1872756377 JIDXQTFUCAFXEA-UZYVYHOESA-N 486.977 6.141 50 10 JKGE COc1cc(OC)c(-c2csc(/C(C#N)=C(\O)c3ccc(-n4cccc4)cc3)n2)cc1Cl 1872756550 PGVHMGFUEGNMQX-NKFKGCMQSA-N 463.946 6.221 50 10 JKGE CC(C)c1ccccc1O[C@@H](C)/C(O)=C(\C#N)c1nc(-c2cc(Cl)ccc2Cl)cs1 1872758601 IALPLLGJQAZLBB-RJHYDAJSSA-N 459.398 7.500 50 10 JKGE N#C/C(=C\c1c(OCc2ccccc2)ccc2ccccc12)c1nc(-c2cccs2)cs1 1872791846 VHWHMFYMVAOCJP-RCCKNPSSSA-N 450.588 7.668 50 10 JKGE Cc1cc(=O)oc2cc(OCC(=O)N/N=C/c3ccc(OCc4c(F)cccc4Cl)cc3)ccc12 1873792871 QKRPNKCSJQPEJB-VFLNYLIXSA-N 494.906 5.002 50 10 JKGE Cc1ccc([C@H](Br)c2c(Br)c(C)nn2C)c(C)c1Br 1877181968 OOFNEIGOVOHRBA-ZDUSSCGKSA-N 451.000 5.355 50 10 JKGE CCC(CBr)(CBr)Cc1ccc(Cl)c(I)c1 1900420389 DLATTYLTSJVSCU-UHFFFAOYSA-N 480.409 5.673 50 10 JKGE C[C@H](Br)CN(Cc1ccccc1)Cc1cc(C(F)(F)F)cc(C(F)(F)F)c1 1914656398 HEORDEQBLQSCRA-ZDUSSCGKSA-N 454.252 6.510 50 10 JKGE CC(C)C[C@@H](C)[C@H](Cl)c1c(Br)sc(Br)c1Br 1924612480 MFCMQIKGOCRLJV-MUWHJKNJSA-N 453.465 6.998 50 10 JKGE CC(C)(C(F)F)[C@@H](Cl)c1c(Br)sc(Br)c1Br 1924612876 OTCRGTIBXNMFCO-YFKPBYRVSA-N 461.391 6.607 50 10 JKGE Fc1cc(Br)cc(F)c1[C@H](Br)Cc1ncccc1Br 1924856745 WAIMPMLTDPCELN-SECBINFHSA-N 455.922 5.564 50 10 JKGE Fc1cscc1[C@H](Br)c1c(Br)sc(Br)c1Cl 1982839824 ZVXKGZYJVMIZLW-LURJTMIESA-N 469.420 6.611 50 10 JKGE Cc1cc([C@@H](Br)c2c(Cl)cccc2Br)sc1Br 2003558197 QURMUANCMMGRBA-LLVKDONJSA-N 459.428 6.719 50 10 JKGE FC(F)(F)[C@@H]1C[C@@H]1C[C@H](Br)c1sc(Br)cc1Br 2012966239 YDTLUJBSLJLGFZ-PBXRRBTRSA-N 456.947 6.298 50 10 JKGE FC(F)(F)C[C@@H](CBr)NCc1cccc(Br)c1Br 2031477728 DMTTYJWMVDALQL-QMMMGPOBSA-N 453.922 5.017 50 10 JKGE CCc1cc(Br)c([C@@H](Cl)c2cccc(Br)c2Br)s1 2031482597 UTWWUAWDAHWQAY-LBPRGKRZSA-N 473.455 6.926 50 10 JKGE CS(=O)(=O)c1sccc1[C@H](Br)c1cc(Cl)c(Br)s1 2033137449 WFSBUOBDHIEMCM-QMMMGPOBSA-N 450.626 5.113 50 10 JKGE C[C@]1([C@H](Br)c2c(Br)sc(Br)c2Cl)C[C@H]1C(F)(F)F 2039184031 BEFMKQGJWRMDJW-FROZIPMSSA-N 491.392 6.951 50 10 JKGE N#CC(=Cc1cn(-c2ccccc2)nc1-c1cccs1)c1nc(O)c2c3c(sc2n1)CCCC3 2040447459 UCLJQBAQZUOBBX-UHFFFAOYSA-N 481.606 6.254 50 10 JKGE O=C(CSc1nc(C=Cc2ccccc2)nc2ccccc12)NN=Cc1ccc(Cl)cc1 2040495411 HBKPFYLJHRGCST-UHFFFAOYSA-N 458.974 5.696 50 10 JKGE CC(C)(C)[C@@H](C[C@@H](Br)c1sc(Br)cc1Br)C(F)F 2048744197 MUTXUNFOLSLKFJ-NKWVEPMBSA-N 469.027 7.027 50 10 JKGE CC(C)(C)OC(=O)NCCSSCCN[C@H]1CCCC[C@]12CCN(C(=O)OC(C)(C)C)C2 2061261974 IBKGWKPDHITLBD-FDDCHVKYSA-N 489.748 5.052 50 10 JKGE Cc1c(Br)sc([C@H](Br)[C@H]2C[C@@H]2C2CCCC2)c1Br 2079394461 XNMIFHFYUOLXBV-JFGNBEQYSA-N 457.069 6.844 50 10 JKGE COc1c(Br)cc(C)cc1[C@H](Br)c1cscc1Br 2083455742 KZGKJQCDEARKQM-LBPRGKRZSA-N 455.009 6.074 50 10 JKGE COc1c(C)cc(Br)c(C)c1[C@@H](Br)c1sncc1Br 2088927021 GDVROEISNIHIDA-LLVKDONJSA-N 470.024 5.778 50 10 JKGE Cl[C@@H](Cc1ccccc1I)c1cc(C2CC2)c(Br)s1 2094668902 LJWVCVPFORFODH-LBPRGKRZSA-N 467.597 6.515 50 10 JKGE CC(C)(C)OC(=O)NC[C@@H]1CC[S@@](=O)(=NCCCCCCCCCBr)C1 2106782325 PNZGAOLLEUBAEE-QLXKLKPCSA-N 453.487 5.125 50 10 JKGE CN(Cc1cc(Cl)ccc1I)C[C@H](Br)C1CCCC1 2111354082 QLYQPEDFNDTJDH-AWEZNQCLSA-N 456.593 5.330 50 10 JKGE Clc1ccc(I)c(CN2C[C@@H](Br)CCC23CCC3)c1 2117886244 HHRSNJHGAPWXHH-LBPRGKRZSA-N 454.577 5.227 50 10 JKGE Cc1ccc([C@H](Br)c2ccc(Br)c(C)c2Br)c(Cl)c1 2138850838 IMKWBQXBIDOSRF-HNNXBMFYSA-N 467.426 6.966 50 10 JKGE Clc1c(Br)sc(Br)c1[C@@H](Br)[C@H]1C[C@H]2COC[C@H](C2)C1 2141790575 OHBLVLFSDFNGBE-ODHVRURNSA-N 493.486 6.425 50 10 JKGE CC[C@@](CBr)(Cc1ccc(Br)cc1Br)c1ccccc1 2148680434 DFKCOXRUVAETIB-KRWDZBQOSA-N 461.035 6.497 50 10 JKGE CC1(C)CCO[C@@H]1CC(CBr)(CBr)c1ccc(Br)cc1 2154275542 ZZOXAZNZWOSQBQ-CQSZACIVSA-N 469.055 5.682 50 10 JKGE Clc1cc([C@H](Br)Cc2ccc3c(c2)CCO3)ccc1I 2168654911 SZLLXZLLWDXKMX-CYBMUJFWSA-N 463.540 5.558 50 10 JKGE Cc1cc(Br)c(CBr)c(N2CC[C@H]3CCN(Cc4ccccc4)C[C@@H]3C2)c1 2173449778 LRQKWJYFVZFUHJ-WOJBJXKFSA-N 492.299 6.001 50 10 JKGE Cc1cc(Br)c([C@H](Br)[C@H]2CCCCC23CCC3)cc1Br 2173623497 VABKTQCGEUYQDJ-CJNGLKHVSA-N 465.067 7.317 50 10 JKGE O=S(=O)(c1ccc(CCCBr)cc1)N(Cc1ccccc1)C1CCCCC1 2179853148 DNGHSRVRHUWBAL-UHFFFAOYSA-N 450.442 5.538 50 10 JKGE CCc1ccc(CBr)cc1S(=O)(=O)N(Cc1ccccc1)[C@@H](C)C(C)(C)C 2179861174 DCPOOOHFSZYPOV-KRWDZBQOSA-N 452.458 5.769 50 10 JKGE Brc1ccc([C@H](Br)Cc2ccc(Br)c3nsnc23)cc1 2202023721 CGMDVMJAXKKLOX-GFCCVEGCSA-N 477.019 5.895 50 10 JKGE COc1cc(C)c(Br)cc1[C@H](Br)c1cc(Br)c(C)s1 2226082197 MGCXMZAFLIKPNO-AWEZNQCLSA-N 469.036 6.383 50 10 JKGE Clc1cccc(C(CBr)(CBr)Cc2nscc2Br)c1 2227091030 FODUPRCREUGNKU-UHFFFAOYSA-N 488.470 5.829 50 10 JKGE Cc1cc(Br)c([C@H](Br)[C@]23C[C@H](CCO2)C3)c(C)c1Br 2227360662 VDOROVLKGLLODA-NZVBXONLSA-N 453.012 5.834 50 10 JKGE Cc1cc(Br)c([C@H](Br)[C@@H]2CCC[C@@H](F)C2)c(C)c1Br 2227369980 OVTQQRDNIMJZDO-UEKVPHQBSA-N 457.019 6.793 50 10 JKGE Fc1cc(Br)c(Br)cc1[C@@H](Br)c1csc2ccccc12 2233973988 CKIWAQCFWUKVIK-OAHLLOKOSA-N 479.006 7.050 50 10 JKGE ClCc1nc2cc(Br)c(Br)cc2n1[C@H]1C[C@H](Br)C1 2263432676 HCMQGEVCODUFFK-LJGSYFOKSA-N 457.391 5.399 50 10 JKGE Cc1cc(Cl)c(Cl)cc1[C@H](Br)c1ccc(F)cc1I 2264359190 GTUVYIKDRHHRAA-CQSZACIVSA-N 473.938 6.530 50 10 JKGE COc1ccc(Cl)cc1[C@H](Br)c1ccc(Cl)c(I)c1 2268279822 RXAKPMSMQXKQAH-CQSZACIVSA-N 471.947 6.091 50 10 JKGE COc1ccccc1C[C@@H](Br)c1ccc(Cl)c(I)c1 2268323553 QWHLBOQOQKEMRN-GFCCVEGCSA-N 451.529 5.632 50 10 JKGE Fc1cc(Br)c(Br)cc1[C@@H](Br)[C@H]1COC2(CCC2)C1 2269383236 SELKEDOBOJNWHO-OQPBUACISA-N 456.975 5.746 50 10 JKGE C[C@@H](Br)CN(C(=O)c1cc(Br)cc(Br)c1)C(C)(C)C 2272453397 QECOCORUENLXSF-SECBINFHSA-N 456.016 5.236 50 10 JKGE Fc1cc(Br)c(F)c(Br)c1[C@@H](Br)Cc1ccccc1 2272726344 MTMRSHDWJUTNAQ-VIFPVBQESA-N 454.934 6.169 50 10 JKGE CC1([C@H](Br)c2c(F)cc(Br)c(F)c2Br)CCCCC1 2272742281 XSEUDMSYHLKYQG-CYBMUJFWSA-N 460.982 6.896 50 10 JKGE COc1ccc([C@@H](Br)c2cc(Br)c(F)cc2Cl)cc1Br 2285941158 HYWJURRTJZJEGP-CQSZACIVSA-N 487.388 6.497 50 10 JKGE CCCCOC(=O)c1c(NC(=O)C(C#N)=Cc2c[nH]nc2-c2ccccc2)sc2c1CCCC2 2296500389 OISDPYFJNVEHAL-UHFFFAOYSA-N 474.586 5.520 50 10 JKGE N#CC(=Cc1c(Oc2ccc(Cl)cc2Cl)nc2ccccn2c1=O)c1nc2ccccc2s1 2297470282 GJUSCLFHWVGOFW-UHFFFAOYSA-N 491.359 6.467 50 10 JKGE Fc1ccccc1[C@@H](Br)c1ccc(OCc2ccccc2)cc1Br 2299488748 JKBNVHSFBTVOBQ-FQEVSTJZSA-N 450.145 6.652 50 10 JKGE Clc1cc([C@H](Cl)c2cc(Br)ccc2OCc2ccccc2)c(Cl)s1 2299532500 HPSPVQYTOULLHN-QGZVFWFLSA-N 462.623 7.725 50 10 JKGE CN[C@H](c1c(Cl)cc(Br)c(F)c1Br)[C@@H]1C[C@H]1Br 2300179867 XYKSXNUORZBCAH-NWWTUURKSA-N 450.371 5.048 50 10 JKGE Cc1cc(Cl)c(Br)cc1[C@@H](Br)c1cnsc1Br 2300278930 PWQBUWWMVGEYOV-SNVBAGLBSA-N 460.416 6.114 50 10 JKGE Clc1cccc(Cl)c1[C@@H](Cl)c1cc(Br)ccc1OCc1ccccc1 2314454543 HCPNBNKFUDRNLV-FQEVSTJZSA-N 456.594 7.663 50 10 JKGE CCOc1ccc(N2C(=O)[C@H](Cc3ccc(C)cc3)SC2=C(C#N)C(=O)Nc2ccccc2C)cc1 2314591689 BHLTZWXVOZWTBT-SANMLTNESA-N 497.620 5.767 50 10 JKGE Clc1cc(I)c([C@H](Br)C2(c3ccccc3)CC2)s1 2316772855 YUIFHWFATUOLRX-ZDUSSCGKSA-N 453.570 6.174 50 10 JKGE C[C@H](Oc1ccc(Cl)cc1Cl)C(=O)Oc1cccc(C=C(C#N)c2ccc(Cl)cc2)c1 2318356231 BWXPPUAHBGSSBU-HNNXBMFYSA-N 472.755 7.084 50 10 JKGE N#CC(=CNc1ccccc1Sc1ccccc1)C(=O)NC1CCCCCCCCCCC1 2325474514 NIOGSMYLMZOAAE-UHFFFAOYSA-N 461.675 7.447 50 10 JKGE COC(=O)c1ccc(C(C#N)=Cc2ccc(N3N=C(c4ccccc4)C[C@H]3c3ccccc3)cc2)o1 2331048507 RKZLFSPOTIJMHO-MHZLTWQESA-N 473.532 6.486 50 10 JKGE CCc1ccc(-c2csc(C(C#N)=C(O)[C@H](C)Oc3ccc(Cl)cc3Br)n2)cc1 2331245823 XXFMZQYPZBGVBB-ZDUSSCGKSA-N 489.822 7.049 50 10 JKGE C[C@H](Oc1ccc(Cl)cc1Cl)C(O)=C(C#N)c1nc(-c2ccccc2Cl)cs1 2331271690 ZTRFJHGWMVHBJL-NSHDSACASA-N 451.762 7.030 50 10 JKGE N#CC(=C(O)COc1cc(Cl)ccc1Cl)c1nc(-c2ccc3c(c2)OCCO3)cs1 2331330839 JRTBNSQUGNUQGQ-UHFFFAOYSA-N 461.326 5.760 50 10 JKGE COc1ccc(C(C)(C)C)cc1-c1csc(C(C#N)=C(O)c2c(Cl)ccc(Cl)c2OC)n1 2331351202 ZCECSOPFVYDGHS-UHFFFAOYSA-N 489.424 7.381 50 10 JKGE COc1cc(C)c(-c2csc(C(C#N)=C(O)C(c3ccccc3)c3ccccc3)n2)cc1C(C)C 2331352091 CKIBDZNGCYBSHE-UHFFFAOYSA-N 480.633 7.875 50 10 JKGE CCOc1ccc(C=C(C(O)=C(C#N)c2nc(-c3ccc(C)c(C)c3)cs2)c2ccccc2)cc1 2331382558 FSNYDZHSZOMZCK-UHFFFAOYSA-N 478.617 7.859 50 10 JKGE COc1cc(Cl)c(C)cc1-c1csc(C(C#N)=C(O)[C@@H]2CC(=O)N(Cc3ccccc3)C2)n1 2331390438 LTIPILZYUSHWIV-QGZVFWFLSA-N 479.989 5.622 50 10 JKGE COc1cc(C=C(C#N)c2nc(-c3ccccc3Cl)cs2)ccc1OCc1ccccc1 2331430466 XSDBBGJCBJIGAP-UHFFFAOYSA-N 458.970 7.115 50 10 JKGE CC(C)([C@H](Br)c1c(Cl)cc(Br)c(F)c1Br)C(F)(F)F 2337081938 FIEGNYFTRGPHCC-SECBINFHSA-N 491.342 7.029 50 10 JKGE CC(C)(C[C@H](Br)c1c(Cl)cc(Br)c(F)c1Br)C1CC1 2337088168 IVQHLEWMLKQBGF-VIFPVBQESA-N 477.437 7.266 50 10 JKGE C[C@H](CBr)[C@@H]1CCCCN1Cc1ccc(Cl)c(I)c1 2337224050 URIFFSGXCPVGFO-ABAIWWIYSA-N 456.593 5.330 50 10 JKGE CCCCCCC[C@H](Br)c1c(C)cc(Br)c(F)c1Br 2339646344 QARXDNOGADHJGW-NSHDSACASA-N 459.035 7.456 50 10 JKGE Cc1cc(Br)c(F)c(Br)c1[C@@H](Br)C12COC(C)(C1)C2 2339654945 WAJQTWAPWVMRRW-IYXRBSQSSA-N 456.975 5.664 50 10 JKGE COc1c(Br)cc(C)c([C@H](Br)[C@@H]2C[C@@H]2C(F)F)c1Br 2339656909 SEGJMESDQHOYFZ-MATHAZKKSA-N 462.954 5.866 50 10 JKGE CCC1(CC)[C@H](Cl)C[C@H]1OCc1cc(I)ccc1Br 2341838792 RWMWYFRZNNKCIE-ZIAGYGMSSA-N 457.577 5.756 50 10 JKGE Fc1ccc([C@H](CBr)Cc2ccc(I)c(Br)c2)cc1 2349852962 NHQJVACDFRTRPJ-LBPRGKRZSA-N 497.971 5.914 50 10 JKGE BrC[C@H]1CC2(CCC2)CN1Cc1ccc(I)c(Br)c1 2349858234 VMTLEMIBPUCDHF-GFCCVEGCSA-N 499.028 5.193 50 10 JKGE Clc1cc(Br)c([C@@H](Br)C[C@@H]2CCC[C@@H]3C[C@H]23)c(Cl)c1Cl 2358398982 OFJCRQKUVKYVMQ-KATARQTJSA-N 461.452 7.672 50 10 JKGE CCC(F)(F)C(C)(C)[C@H](Cl)c1c(Cl)cc(Br)c(F)c1Br 2362234591 HPVMVABGKDVBGJ-LLVKDONJSA-N 456.955 7.356 50 10 JKGE COc1ccccc1[C@H](Br)c1c(Cl)cc(Br)c(F)c1Br 2362257525 INZDUWMQOADEJR-LBPRGKRZSA-N 487.388 6.497 50 10 JKGE COc1c(Br)cc(C)c([C@H](Br)[C@H]2CC[C@H](C)CC2)c1Br 2365192343 BILQJJJIDJQQHH-GLXFQSAKSA-N 469.055 6.791 50 10 JKGE COc1ncc(Br)c(C)c1C[C@H](Br)c1cccc(Br)c1 2370560272 HAOPGSKFKRJCCD-ZDUSSCGKSA-N 463.995 5.602 50 10 JKGE CCc1cc(Br)c(OC)c([C@H](Cl)c2cc(Br)c(Cl)s2)c1 2381254984 VOEFHYDLVYJLCX-LBPRGKRZSA-N 459.030 6.826 50 10 JKGE O=C(CSc1nc2ccccc2[nH]1)N/N=C/c1cccc(OCc2ccc(Br)cc2)c1 32519929 OTRBCHHBDSIYLE-DHRITJCHSA-N 495.402 5.147 50 10 JKGE CCOC(=O)c1ccc(-n2c(C)cc(/C=C(/C#N)C(=O)Nc3ccc(C)c(Cl)c3)c2C)cc1 33409424 XKUHJHNIHQWCJK-BKUYFWCQSA-N 461.949 5.778 50 10 JKGE COc1cc(/C=N/NC(=O)CCCOc2ccc(Cl)cc2Cl)cc(Br)c1OC 33959155 JFWWUERHSHTBNW-FOKLQQMPSA-N 490.181 5.082 50 10 JKGE C=CCOc1ccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4ccc(OCC(C)C)cc4)ccc32)cc1 38658171 YRRVLNDTUIGPQS-MUUNZHRXSA-N 496.563 5.724 50 10 JKGE CCOc1ccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4cccc5ccccc45)ccc32)cc1OC 38659605 LQTQCLQLDKRZFN-NDEPHWFRSA-N 492.531 5.684 50 10 JKGE N#CC1=C(N)Oc2cc(OC(=O)c3ccc([N+](=O)[O-])cc3)ccc2[C@H]1c1c(Cl)cccc1Cl 38679617 VSDUXNOUPYBGQL-HXUWFJFHSA-N 482.279 5.339 50 10 JKGE CCc1ccc(OCC(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@H]3c2c(F)cccc2Cl)cc1 38680607 LRGRDOIELIFHOB-DEOSSOPVSA-N 478.907 5.244 50 10 JKGE C=CCOc1ccc(C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@H]3c2ccccc2OCCC)cc1 38681601 PLUWITJNZLJFLT-MHZLTWQESA-N 482.536 5.478 50 10 JKGE Cc1cc(OCC(=O)N/N=C/c2cccc(Br)c2)c(Br)c(C)c1Cl 40950671 WLIIBPSFCPSFNI-ODCIPOBUSA-N 474.580 5.011 50 10 JKGE CCc1ccc(OCCCC(=O)N/N=C/c2c(OC)ccc3ccccc23)c(Br)c1 40959447 HHJPSHFNEATCEV-WGOQTCKBSA-N 469.379 5.483 50 10 JKGE COc1cc(/C=N/NC(=O)c2ccc(OCc3ccc(Cl)cc3Cl)cc2)cc(OC)c1OC 48573288 QQAJUNHUFUVJGO-UVHMKAGCSA-N 489.355 5.362 50 10 JKGE Cc1cc(/C=N\NC(=O)CC[C@H](O)c2ccccc2)c(C)n1-c1ccc(OCc2ccccc2F)cc1 58890620 PMNHSJZNCMGACJ-LLQGPRFRSA-N 499.586 5.776 50 10 JKGE CCN(CC)c1ccc(/C=N/NC(=O)c2ccc(-n3c(C)ccc3-c3ccccc3)cc2)cc1 59304035 MOUUDKMWVQOESX-MWAVMZGNSA-N 450.586 6.063 50 10 JKGE CCn1c2ccccc2c2cc(/C=C(/C#N)C(=O)Nc3cc(C(F)(F)F)ccc3Cl)ccc21 96504354 QCRWTTHIDXSGIT-WJDWOHSUSA-N 467.878 7.032 50 10 JKGE O=C(c1cccc(OC(=O)C23CC4CC(CC(C4)C2)C3)c1)C(Br)Br 100741360 OHCVJTGQCDVNRK-UHFFFAOYSA-N 456.174 5.107 50 10 JKGE CCOc1ccc(N2C(=O)[C@@H](Cc3ccc(C)cc3)S/C2=C(/C#N)C(=O)Nc2ccccc2)cc1 101244670 WUSUGAVWEMTEDG-IEQIIXMPSA-N 483.593 5.459 50 10 JKGE CCOC(=O)c1c(N/C=C(\C#N)c2nc(-c3ccc(CC(C)C)cc3)cs2)sc(C)c1C 102924730 WPAXPHYUQMSXMH-DEDYPNTBSA-N 465.644 6.840 50 10 JKGE COc1cc(/C=C(/C#N)C(=O)Nc2ncc(Cc3ccccc3)s2)ccc1OCc1ccccc1 102966112 QPABRHHDWDOINI-UCQKPKSFSA-N 481.577 5.867 50 10 JKGE Cc1ccc(N/C=C(/C=O)c2nc3ccccc3o2)cc1N/C=C(\C=O)c1nc2ccccc2o1 103934139 SIFYPWGAWZGTMF-HJGWPUIUSA-N 464.481 5.581 50 10 JKGE Fc1cc(Br)ccc1C[C@H](CBr)c1ccccc1Br 118665127 QRZNCMSXXGRDHQ-LLVKDONJSA-N 450.971 6.072 50 10 JKGE COc1c(C)cc(Br)c(C)c1[C@H](Br)c1ccc(Br)s1 125747807 TUKVXGFMUSBGDY-CYBMUJFWSA-N 469.036 6.383 50 10 JKGE C[C@@H]1COc2ccc([C@H](Cl)c3cc(Br)c(Br)s3)cc2OC1 128565261 IFDCMJPZOJTMHW-CLAHSXSESA-N 452.595 6.009 50 10 JKGE COc1ccc([C@H](Br)c2ccc(Br)c(Cl)c2)cc1Br 148956372 HVNIFSGGOCEWGI-AWEZNQCLSA-N 469.398 6.358 50 10 JKGE O=S(=O)(Nc1ccc2nc3ccccc3c(CCl)c2c1)c1cc(Cl)ccc1Cl 196697157 CAXVKANOARJPQI-UHFFFAOYSA-N 451.762 6.234 50 10 JKGE COc1ccc(F)cc1[C@@H](Br)c1cc(I)ccc1Br 234877906 WZYSJTZDZIUNOX-AWEZNQCLSA-N 499.943 5.686 50 10 JKGE COc1ccc([C@H](Cl)c2ccc(F)cc2I)cc1Br 234999548 KLXDTPGWMOJUNO-AWEZNQCLSA-N 455.492 5.530 50 10 JKGE COc1ccc(C(=O)NN=Cc2c(-c3ccccc3)n(-c3ccccc3)c3ccccc23)cc1OC 254525068 XUUGVJSTIOZTTC-UHFFFAOYSA-N 475.548 6.079 50 10 JKGE C[C@@H]1C[C@H](n2c(CCl)nc3cc(I)ccc32)CCN1Cc1ccccc1 379586152 ISYFHRWFJUWWCR-CRAIPNDOSA-N 479.793 5.605 50 10 JKGE O=C(OCc1ccccc1)N1C[C@@H](c2cc(Br)cs2)[C@@H](CBr)C1 382724442 PFZKPKVSDQSMMJ-DZGCQCFKSA-N 459.203 5.258 50 10 JKGE CC(C)(C)OC(=O)N1C[C@@H](c2ccccc2CCO[Si](C)(C)C(C)(C)C)Nc2ccccc21 616689889 LEVMCPQTXRSCRV-QHCPKHFHSA-N 468.714 7.159 50 10 JKGE C[C@@H]1[C@H]2C3=CC[C@@H]4[C@@]5(C)C(C=O)=C[C@@](C)(CO)[C@@H]5CC[C@@]4(C)[C@]3(C)CC[C@@]2(C(=O)O)CC[C@H]1C 685945436 PEVQSSGKWFYXNP-HDLOVIRTSA-N 468.678 6.046 50 10 JKGE CO[C@@](C)(COCc1ccccc1)Cn1c([C@@H](C)Cl)nc2c(Br)cccc21 702783394 IKBXQYVKRAPMJX-QVKFZJNVSA-N 451.792 5.721 50 10 JKGE O=C([C@@H](c1cccs1)N(C(=O)CCl)c1cccc(C(F)(F)F)c1)N1CCCCCC1 725237152 ABXVRMDAYNMDTD-LJQANCHMSA-N 458.933 5.483 50 10 JKGE BrCC(CBr)(CC[C@@H]1CCCCO1)c1cccc(Br)c1 829420833 RVWIQBXXOHDLJD-HNNXBMFYSA-N 469.055 5.826 50 10 JKGE O=C(CN(Cc1ccccc1)Cc1ccccc1)NN=Cc1ccc2cc3ccccc3cc2c1 1083962656 ZAGBXSFSMPOCQG-UHFFFAOYSA-N 457.577 6.146 50 10 JKGE Cc1cc(/C=C(\C#N)C(=O)Nc2cccc(Cl)c2)c(C)n1-c1ccc(C(=O)O)c(Cl)c1 1084032137 FUTJUAYCZCKGAA-CXUHLZMHSA-N 454.313 5.645 50 10 JKGE CCOc1ccc([C@H](O)CCC(=O)NN=Cc2cc(C)n(-c3cc(Cl)ccc3C)c2C)cc1 1084234168 XYLRPZYCRNVOHT-RUZDIDTESA-N 467.997 5.419 50 10 JKGE O=C(NN=Cc1ccc(Sc2nc3ccc([N+](=O)[O-])cc3s2)c([N+](=O)[O-])c1)c1ccc(F)cc1 1084429364 MIBPHUIMTCEHEY-UHFFFAOYSA-N 497.489 5.167 50 10 JKGE CC(=NNC(=O)[C@@H](C)Sc1ccc(Cl)cc1)c1ccc(NC(=O)c2ccccc2)cc1 1084534764 PPQGKRDWAZAWSJ-QGZVFWFLSA-N 451.979 5.613 50 10 JKGE N#CC1=NN(c2ccc(Cl)cc2)[C@@H](c2ccccc2)C2=C1OC(N)=C(C#N)[C@@H]2c1ccc(Cl)cc1 1088681104 MQLXYWGLAQYKTG-ZCYQVOJMSA-N 498.373 6.196 50 10 JKGE COc1cccc(C(=O)NN=C2CCCc3oc(C(=O)Nc4ccc(Cl)c(Cl)c4)c(C)c32)c1 1772749634 NSERNLZFJICLMQ-UHFFFAOYSA-N 486.355 5.626 50 10 JKGE Cc1ccc(CNC(=O)c2oc3c(c2C)C(=NNC(=O)Cc2coc4cc(C)cc(C)c24)CCC3)cc1 1772752027 RSNVMZVEILCEFR-UHFFFAOYSA-N 497.595 5.589 50 10 JKGE C[C@H](Oc1cccnc1NC(=O)Nc1ccc(SC#N)cc1)C(=O)Nc1ccccc1Cl 1858846774 UTQQFVKUNBTQGO-AWEZNQCLSA-N 467.938 5.358 50 10 JKGE COc1ccc(-c2nn(-c3ccccn3)c3c2[C@H](c2ccc(C(C)C)cc2)C(C#N)=C(N)O3)cc1 1865686483 WTRIEIZCEHXQDZ-XMMPIXPASA-N 463.541 5.284 50 10 JKGE CCCCCOc1ccc([C@H]2C(C#N)=C(N)Oc3c2c(C(F)(F)F)nn3Cc2ccc(C)cc2)cc1 1865690739 ZXACDQCKVCXKIW-QFIPXVFZSA-N 496.533 6.046 50 10 JKGE C=CCOc1ccccc1[C@H]1C(C#N)=C(N)Oc2c1c(-c1ccccc1)nn2Cc1cccc(Cl)c1 1865690971 GGSMQVMHLWSRSJ-VWLOTQADSA-N 494.982 6.035 50 10 JKGE CCCc1nn(Cc2cc(C)ccc2C)c2c1[C@H](c1ccc(C(F)(F)F)cc1)C(C#N)=C(N)O2 1865711366 WMJJUTVNRUWPGE-JOCHJYFZSA-N 466.507 5.738 50 10 JKGE Cc1nc(-c2ccc(Cl)cc2Cl)ccc1C(=O)N/N=C\c1ccccc1C(F)(F)F 1865760883 UIYSKSCWCJPGQM-BCHBDCPOSA-N 452.263 6.147 50 10 JKGE COc1ccc([C@H](CC(=O)N[C@@H](CCSC)C(=O)Nc2ccc(SC#N)cc2)C(C)C)cc1C 1866773542 ZQKXLAMMDDHMRN-PKTZIBPZSA-N 499.702 5.583 50 10 JKGE CCC[C@H](NC(=O)[C@@H](c1ccc(Cl)c(Cl)c1)C(C)C)C(=O)Nc1ccc(SC#N)cc1 1866991497 NHJAOUBGBZANIT-LEWJYISDSA-N 478.445 6.230 50 10 JKGE N#CSc1ccc(Nc2cc(N3CCO[C@H](c4ccncc4)C3)nc(Cc3ccccc3)n2)cc1 1868208281 YNGNMOSUTQGBES-DEOSSOPVSA-N 480.597 5.357 50 10 JKGE CC(C)c1nc(Nc2ccc(SC#N)cc2)cc(N2C[C@H](C)O[C@H](c3ccc(F)cc3)C2)n1 1868231362 DXHCXVADSYYHIA-JTSKRJEESA-N 463.582 6.022 50 10 JKGE COc1ccc(-c2csc(/C(C#N)=C(\O)[C@@H]3CC(=O)N([C@@H](C)c4ccccc4)C3)n2)cc1OC 1872745409 LXLJEKFQLIYHCQ-BPFGHPQZSA-N 475.570 5.230 50 10 JKGE CCCCc1ccc(N2C[C@H](/C(O)=C(\C#N)c3nc(-c4ccc(OC)c(C)c4)cs3)CC2=O)cc1 1872746669 RXUASGWUVNGGIP-LULRDMADSA-N 487.625 6.316 50 10 JKGE Cc1ccc(C)c(-c2csc(/C(C#N)=C(\O)CCCN3C(=O)c4ccc([N+](=O)[O-])cc4C3=O)n2)c1 1872749820 JSEWRCJNIGYJQE-XDOYNYLZSA-N 488.525 5.204 50 10 JKGE C[C@@H](Br)CN(Cc1ccccc1)S(=O)(=O)c1ccc(Cl)c(Br)c1 1914638945 QYAUDKHZQOOSAJ-GFCCVEGCSA-N 481.637 5.077 50 10 JKGE CC[C@H](Br)CN(Cc1ccccc1)C(=O)c1ccc(OCc2ccccc2)cc1 1915099009 NVKGWXSHYPBOJF-QHCPKHFHSA-N 452.392 6.082 50 10 JKGE Fc1cc(Cl)cc([C@@H](Br)c2cc(Br)c(Br)s2)c1 1918783750 WCYBYVLWSBGYKI-SNVBAGLBSA-N 463.391 6.550 50 10 JKGE Clc1c(Br)sc(Br)c1[C@H](Br)Cc1ccccc1 1923072680 QVLZNSUSXQRYHJ-MRVPVSSYSA-N 459.428 6.605 50 10 JKGE COc1ccc(C[C@H](Cl)c2c(Br)sc(Br)c2Br)cc1 1924596897 VIAHIGUSEKQHQB-VIFPVBQESA-N 489.454 6.567 50 10 JKGE Cl[C@H](C[C@@H]1CC[C@@H]2C[C@H]12)c1c(Br)sc(Br)c1Br 1924613128 GLHYIPXXFRQENF-VGRMVHKJSA-N 463.460 6.752 50 10 JKGE COCc1cc(Br)c([C@@H](Br)c2csnc2Br)s1 1925262449 LTVZYNDCFZSAEB-QMMMGPOBSA-N 462.026 5.360 50 10 JKGE Clc1cccc([C@@H](Br)c2c(Cl)sc(Br)c2Cl)c1Cl 1925590217 WXLBLMYETMRLGS-SSDOTTSWSA-N 469.840 7.609 50 10 JKGE Cc1cc(Br)sc1[C@H](Br)c1cccc(Br)c1Cl 1950207488 HLKSGHYBSRHHKT-SNVBAGLBSA-N 459.428 6.719 50 10 JKGE Clc1c(Br)sc(Br)c1[C@H](Br)[C@H]1C[C@@]12CCOC2 1950627690 DLRVXJPCXZXYRY-DEHACQHWSA-N 465.432 5.789 50 10 JKGE CC[C@@H]([C@H](Cl)c1c(Br)sc(Br)c1Br)C(C)(F)F 2004480486 ZGKFRAPCOLEGHI-FFWSUHOLSA-N 475.418 6.997 50 10 JKGE C=CCC(CBr)(CBr)Cc1ccc(I)c(Cl)c1 2026566217 INDJOOGFTUNTPR-UHFFFAOYSA-N 492.420 5.839 50 10 JKGE Cc1c(Br)sc([C@H](Br)[C@@H]2C[C@]2(C)C(F)(F)F)c1Br 2043570095 MMGXZSQQMHKOIN-GYZLHAHLSA-N 470.974 6.606 50 10 JKGE Clc1c(Br)sc(Br)c1[C@H](Br)[C@H]1C[C@@H]2CC[C@H](C1)O2 2061006464 VTFLXSMSPZADIL-JAGXHNFQSA-N 479.459 6.320 50 10 JKGE N#CC(=Cc1ccccc1)C(=O)N1CC[C@H](c2ccc(F)cc2)[C@H](COc2ccc3c(c2)OCO3)C1 2085405234 KDEKSZQMVPOIOG-JYFHCDHNSA-N 484.527 5.173 50 10 JKGE CCc1sc(Br)cc1[C@@H](Br)c1ccc(Br)cc1OC 2090683083 ZEUVTYPOACQHAC-AWEZNQCLSA-N 469.036 6.328 50 10 JKGE Clc1cccc([C@@H](CBr)Cc2cccc(Br)c2Br)c1 2092336466 YEHQEOCJZDBPPM-GFCCVEGCSA-N 467.426 6.586 50 10 JKGE CCn1ncc(Br)c1C[C@@H](CBr)c1cccc(Br)c1 2094299835 NJLOTWQQGGXQTO-NSHDSACASA-N 451.000 5.149 50 10 JKGE Cc1c(Br)cccc1[C@H](Br)c1cc(C2CC2)c(Br)s1 2094674083 RAFQPSBNODUDBD-AWEZNQCLSA-N 465.048 6.943 50 10 JKGE Brc1cccc(Br)c1CN1C[C@@H](Br)CC2(CCC2)C1 2095000335 RECGSDOSCWJYEX-NSHDSACASA-N 452.028 5.351 50 10 JKGE CN(CCN(Cc1ccccc1)Cc1cccc(-c2nc(CCl)cs2)c1)Cc1ccccc1 2095878838 FEUBUTVNQVFTGO-UHFFFAOYSA-N 476.089 6.683 50 10 JKGE C[C@H]1CN(Cc2cc(Cl)ccc2I)CC[C@@H]1CCBr 2115843141 KOURWVPUYGFEEY-RYUDHWBXSA-N 456.593 5.188 50 10 JKGE CN(c1ccc(CBr)c(Br)c1)[C@@H]1C[C@@H]2C[C@H](OCc3ccccc3)C[C@@H]21 2134021088 ZNFQKZNTLNHZAF-WCCBULMPSA-N 479.256 6.164 50 10 JKGE Cc1cc(Br)c(C)c([C@H](Br)C[C@@H]2CC[C@@H](C)O2)c1Br 2136371482 OMRGCIQEPBMBOC-SUZMYJTESA-N 455.028 6.222 50 10 JKGE Cc1cc(Br)ccc1[C@H](Br)c1cc(Br)c(Cl)cc1C 2137642975 NRXLHJAWYIUVGG-HNNXBMFYSA-N 467.426 6.966 50 10 JKGE COc1c(Cl)cc(Br)cc1[C@H](Br)c1cc(C)sc1Br 2138255099 YCGYZJLNZJOVQK-NSHDSACASA-N 489.454 6.728 50 10 JKGE Cc1c(Br)ccc([C@H](Br)c2cccc(F)c2F)c1Br 2138850678 HYFBRAWYLDANFA-ZDUSSCGKSA-N 454.934 6.283 50 10 JKGE COc1cc(F)c(Cl)cc1[C@@H](Br)c1ccc(I)cc1 2142389493 VEUVMTFVODTICI-AWEZNQCLSA-N 455.492 5.577 50 10 JKGE O=C(NC[C@H]1CCCC[C@H]1CBr)c1cccc(Br)c1Br 2148770269 NUCSEFQORGAGOD-WDEREUQCSA-N 468.027 5.143 50 10 JKGE C[C@H](Cl)c1nc2cc(Br)c(Cl)cc2n1C1CC(COCc2ccccc2)C1 2160079668 RPHJBZHGMZOLES-JEYLPNPQSA-N 468.222 6.920 50 10 JKGE Cc1cc(Br)c(C)c([C@H](Br)[C@H]2OCCOC2(C)C)c1Br 2201074496 RZMNUXKFGQCOHZ-UONOGXRCSA-N 471.027 5.458 50 10 JKGE Cc1cccc([C@H](Cl)c2c(Br)cc(F)c(Cl)c2F)c1I 2201611848 UTVJEAIWVULLIO-NSHDSACASA-N 491.928 6.622 50 10 JKGE COc1cc(Cl)c([C@H](Br)Cc2ccc(Br)cc2)cc1Br 2202354489 XSBPNMKSEUNDRA-GFCCVEGCSA-N 483.425 6.552 50 10 JKGE Cc1c(Br)ccc([C@H](Br)c2ccccc2C(C)C)c1Br 2203690488 DKRUWKMUTVREGG-QGZVFWFLSA-N 461.035 7.128 50 10 JKGE CC[C@H](Br)C#Cc1sc(Br)c(Br)c1Br 2209975164 CPXRRCZLLXCRLI-YFKPBYRVSA-N 465.830 5.561 50 10 JKGE CC1(C)CCC[C@@H](c2sc(Br)c(Br)c2Br)[C@@H]1Cl 2216393797 MAGHAASXQRCNBP-WKEGUHRASA-N 465.476 6.937 50 10 JKGE O=S1(=O)CC[C@H]1[C@@H](Br)c1c(Br)cc(Cl)c(Cl)c1Cl 2217618776 SFIMWFPCZVHAQR-POYBYMJQSA-N 457.398 5.032 50 10 JKGE Clc1c(Br)ccc(CBr)c1N1[C@H]2CCC[C@@H]1CN(Cc1ccccc1)C2 2226318776 KJISUSKBFKUTCQ-HDICACEKSA-N 498.690 6.241 50 10 JKGE Fc1ccc([C@@H](Cl)Cc2ccc(Br)cc2Cl)c(I)c1 2229145227 WIBPPUJCSYWGKO-ZDUSSCGKSA-N 473.938 6.369 50 10 JKGE BrC[C@@H]1C[C@H]2CCCC[C@@H]2N1c1ncc(Br)cc1Br 2231987548 FPISXUCFSUGKQX-CDMKHQONSA-N 453.016 5.139 50 10 JKGE Clc1cc(Br)c([C@H](Br)C2CCC3(CC2)CC3)c(Cl)c1Cl 2232515948 DQSFKEKEUTUUHX-GFCCVEGCSA-N 461.452 7.816 50 10 JKGE Clc1cc(Br)c([C@H](Br)[C@]23CCC[C@H]2OCC3)c(Cl)c1Cl 2232518938 HXCAOJLLIOOWBR-IIMNLJJBSA-N 463.424 6.805 50 10 JKGE Cc1cc(F)ccc1[C@@H](Br)c1c(Br)cc(C)c(Br)c1C 2235603598 KDMKCDLLMWWUCS-MRXNPFEDSA-N 464.998 6.760 50 10 JKGE Brc1ccc(I)cc1[C@H](Br)Cc1cnsc1 2242935469 HKXNLWIDLYLHIO-LLVKDONJSA-N 472.971 5.189 50 10 JKGE C[C@@H](CCBr)N(Cc1ccccc1)C(=O)c1cccc(Cl)c1Br 2243506445 SVHRTNGNCAWMMQ-ZDUSSCGKSA-N 459.609 5.918 50 10 JKGE CCc1cc([C@@H](Cl)c2cccc(Br)c2Br)sc1Br 2256064503 SHYSNNCWFRXRHK-LBPRGKRZSA-N 473.455 6.926 50 10 JKGE Cc1cc([C@@H](Br)c2cc3sc(Br)cc3s2)oc1Br 2263634051 OVXUKFTZGLJHFP-LLVKDONJSA-N 471.033 6.874 50 10 JKGE Cc1sc(Br)c(C)c1[C@@H](Br)c1cc(Br)c(F)cc1Cl 2270461603 SMNJZIUZVXHIFA-LBPRGKRZSA-N 491.445 7.167 50 10 JKGE C=CC[C@]1(CBr)CCCN1C(=O)c1cc(Br)c(Br)s1 2272178922 ILAJEEOFZAJLGO-CYBMUJFWSA-N 472.040 5.219 50 10 JKGE COc1ccc([C@H](Cl)c2ccc(Cl)c(I)c2)c(Cl)c1Cl 2283569124 WGNICZRGSGFVCD-GFCCVEGCSA-N 461.941 6.588 50 10 JKGE Fc1cc(Br)c(F)c(Br)c1[C@H](Br)[C@@H]1C[C@H]2C[C@H]1[C@@H]1C[C@H]21 2288348440 FPIQSGNYJAGSLE-NHUJRCOKSA-N 470.977 6.218 50 10 JKGE CCOC(=O)c1cc(C)sc1NC(=O)C(C#N)=Cc1cccn1Cc1ccc(Cl)cc1Cl 2295412829 VCDRNGYSUDUCOQ-UHFFFAOYSA-N 488.396 5.936 50 10 JKGE CCOC(=O)c1c(NC=C(C#N)c2nc(-c3ccc([N+](=O)[O-])cc3)cs2)sc2c1CCCC2 2296025061 BPBURMLTFFNIJY-UHFFFAOYSA-N 480.571 5.812 50 10 JKGE N#CC(C(=O)c1ccccc1)=C1S[C@@H](Cc2cccc(Cl)c2Cl)C(=O)N1c1ccccc1 2296507166 WQJMRKBCMDSXEB-NRFANRHFSA-N 479.388 6.303 50 10 JKGE Cc1ccc(-n2c(SCC(=O)NN=CC=Cc3ccccc3[N+](=O)[O-])nnc2-c2ccccc2)cc1 2296679472 VSVIUQPWIOFILO-UHFFFAOYSA-N 498.568 5.058 50 10 JKGE Cc1ccc(Oc2nc3c(C)cccn3c(=O)c2C=C(C#N)S(=O)(=O)c2ccc(Cl)cc2)cc1 2296718567 XKHNUTHNPQBMCP-UHFFFAOYSA-N 491.956 5.095 50 10 JKGE Cc1ccc(C(C)C)c(Oc2nc3ccccn3c(=O)c2C=C(C#N)S(=O)(=O)c2ccccc2)c1 2296721741 MTYVBPQGYSAZHE-UHFFFAOYSA-N 485.565 5.257 50 10 JKGE C[C@H]([C@H]1CCCO1)[C@@H](Br)c1cc(Br)ccc1OCc1ccccc1 2299499921 AVAFHIYGUSIJTE-LXGCGDOSSA-N 454.202 6.279 50 10 JKGE Cc1sc([C@H](Cl)c2cc(Br)ccc2OCc2ccccc2)cc1Br 2299527911 NDFRRDNRERCJHE-LJQANCHMSA-N 486.656 7.489 50 10 JKGE N#CC(=Cc1cn(Cc2ccc(Cl)c(Cl)c2)c2ccccc12)C(=O)NCc1cccs1 2313540655 NDRCXAGTJPAPPX-UHFFFAOYSA-N 466.393 6.281 50 10 JKGE N#CC(=Cc1ccc(-c2ccc(Cl)c(C(F)(F)F)c2)o1)c1nn(-c2ccccc2)c(N)c1C#N 2313543837 MPAMORNNIPBPRC-UHFFFAOYSA-N 479.849 6.323 50 10 JKGE COc1cc(C=C(C#N)C(=O)NCCc2c[nH]c3ccccc23)ccc1OCc1ccc(C)cc1 2313574266 XUXJPAPEOCYCMO-UHFFFAOYSA-N 465.553 5.330 50 10 JKGE CCOc1cc(C=C(C#N)C(=O)Nc2cccc(C)c2C)ccc1OCc1ccc(Cl)cc1 2313667463 NHLBWWQWZQISKG-UHFFFAOYSA-N 460.961 6.480 50 10 JKGE N#CC(=Cc1cccc(OCc2ccc(Br)cc2)c1)C(=O)Nc1cccc2ccccc12 2313670521 CELXZLOGHAIWMR-UHFFFAOYSA-N 483.365 6.727 50 10 JKGE Cc1c(Cl)cccc1NC(=O)C(C#N)=Cc1cc(Cl)ccc1OCc1ccc(F)cc1 2313676626 LMURNATUHJOPFC-UHFFFAOYSA-N 455.316 6.566 50 10 JKGE FC1(F)CC[C@@H]2[C@H]([C@@H](Br)c3ccc(OCc4ccccc4)cc3Br)[C@H]21 2314448246 GJIIBBCRNDFAGT-BVBHFADKSA-N 472.167 6.755 50 10 JKGE CC(F)(F)C1([C@H](Br)c2cc(Br)ccc2OCc2ccccc2)CCC1 2314488072 DXGQFSWAUCFEDL-GOSISDBHSA-N 474.183 7.290 50 10 JKGE Clc1cc(I)c([C@@H](Br)[C@@H]2C[C@H]2c2ccccc2)s1 2316601726 XFGGWATYWPCEMD-CWSCBRNRSA-N 453.570 6.246 50 10 JKGE CC(C)[C@H](NC(=O)OC(C)(C)C)C(=O)NN=Cc1cccc(OCc2ccc(Cl)c(Cl)c2)c1 2328833307 MEWAVZODFRHTQN-NRFANRHFSA-N 494.419 5.572 50 10 JKGE Cc1ccc(NC(=O)C(C#N)=Cc2cccc(Br)c2)c(-c2cc(F)ccc2O)c1 2329698915 GJGIXDZCLJALGT-UHFFFAOYSA-N 451.295 5.815 50 10 JKGE CCOc1cc(C=C(C#N)c2nc3ccccc3n2CC)ccc1OCc1ccc(Cl)cc1Cl 2331071717 GRCWUXVORQHFSU-UHFFFAOYSA-N 492.406 7.405 50 10 JKGE CC(C)[C@H](C(O)=C(C#N)c1nc(-c2ccccc2Cl)cs1)N1C(=O)c2ccccc2C1=O 2331266031 RXAVWUVBMRPCHD-HXUWFJFHSA-N 463.946 5.577 50 10 JKGE N#CC(=C(O)c1ccc(N2C(=O)c3ccccc3C2=O)cc1)c1nc(-c2ccc(F)cc2F)cs1 2331286562 KEFQCDQOFYHAPS-UHFFFAOYSA-N 485.471 5.839 50 10 JKGE COc1cc(C)c(-c2csc(C(C#N)=C(O)COc3ccc(Cl)cc3Cl)n2)cc1C(C)C 2331356005 CEDREUDHUZICRR-UHFFFAOYSA-N 489.424 7.429 50 10 JKGE Cc1cc(C)c(C)c(-c2csc(C(C#N)=C(O)CNC(=O)c3ccc(C(C)(C)C)cc3)n2)c1C 2331364616 LDTDUZACEAQKST-UHFFFAOYSA-N 473.642 6.564 50 10 JKGE Cc1ccc(C(C)(C)C)cc1-c1csc(C(C#N)=C(O)c2ccccc2Br)n1 2331396271 FCWXHBAYBHNASC-UHFFFAOYSA-N 453.405 7.128 50 10 JKGE COc1ccc(-c2csc(C(C#N)=C(O)CCCOc3ccccc3Cl)n2)cc1Cl 2331398342 JSYAWGMLTYBWHC-UHFFFAOYSA-N 461.370 6.777 50 10 JKGE C[C@@H]1CCCC[C@@H]1[C@@H](Br)c1c(Cl)cc(Br)c(F)c1Br 2337089772 DGPFKMDZWQBVSN-RGNHYFCHSA-N 477.437 7.266 50 10 JKGE C[C@H](c1ccncc1F)[C@@H](Br)c1ccc(Br)cc1Br 2344692865 PLKIHWDPKGVZHI-XLKFXECMSA-N 451.959 5.985 50 10 JKGE ClCc1csc(CCOCc2ccc(I)c(Br)c2)n1 2350069162 VVAVRHRCSYNBNO-UHFFFAOYSA-N 472.573 5.008 50 10 JKGE Clc1ccc(I)cc1C[C@@]1(CBr)CCCC12CCC2 2352423281 FTDLKMQZGNIYMX-MRXNPFEDSA-N 453.589 6.223 50 10 JKGE COc1cc(C)c(Br)c(C)c1[C@H](Br)c1c(Br)ncn1C 2362479235 UVTKJIYLHAPDKZ-LBPRGKRZSA-N 466.999 5.055 50 10 JKGE C[C@]12C[C@H](C1)[C@H]([C@@H](Br)c1c(Br)cc(Cl)c(Cl)c1Cl)CO2 2362914952 GCUXBBSXSCQENO-CYCXOIKXSA-N 463.424 6.660 50 10 JKGE COc1c(Br)cc(C)c([C@H](Br)[C@]23C[C@H](OC)[C@@H]2C3)c1Br 2365191262 MMYJSSDGRMFWBA-VUBPOPHZSA-N 469.011 5.390 50 10 JKGE COc1c(Br)cc(C)c([C@@H](Br)[C@H]2CC[C@H](C)CC2)c1Br 2365192342 BILQJJJIDJQQHH-CHIMOYNISA-N 469.055 6.791 50 10 JKGE Cc1cc(Br)c(F)c(Br)c1[C@H](Br)[C@@]12COC[C@@H]1C2(F)F 2365223956 SOGMDQHGSOEKII-CQFDHEJISA-N 478.928 5.377 50 10 JKGE COc1ccc([C@@H](Br)c2ccc(Cl)cc2I)cc1OC 2365591334 GOBUSOJFRDJVBQ-OAHLLOKOSA-N 467.528 5.446 50 10 JKGE CC(C)n1ncc(Br)c1COc1cccc(Br)c1CBr 2368038535 ARBAQCABZWKFSK-UHFFFAOYSA-N 466.999 5.463 50 10 JKGE Clc1ccc(I)cc1CN1CC[C@@H]2CC[C@H](Br)C[C@H]2C1 2380531888 VTXZZRVQCVZBPM-OBJOEFQTSA-N 468.604 5.330 50 10 JKGE CCCCCCOc1ccc(C(=O)NNC(=S)NC(=O)c2ccc(OCCCCCC)cc2)cc1 14029204 RJMHHZXGKAYBAC-UHFFFAOYSA-N 499.677 5.554 50 10 JKGE C=CCOc1ccccc1C(=O)NNC(=O)c1cc(Br)ccc1OCCCCCC 14648369 SLRSHJSERPMARX-UHFFFAOYSA-N 475.383 5.048 50 10 JKGE N#C/C(=C/c1ccc(Cl)cc1)c1nc(-c2cc3cc(Br)ccc3oc2=O)cs1 33246769 MPYSAUBDFWGQKH-AUWJEWJLSA-N 469.747 6.397 50 10 JKGE N#C/C(=C/c1ccc(I)cc1)c1nc(-c2ccc(Cl)c(Cl)c2)cs1 33391380 HLSAOOWUVLOINK-QPEQYQDCSA-N 483.161 6.786 50 10 JKGE Cc1cccc(Oc2nc3ccccn3c(=O)c2/C=C(/C#N)c2nc3ccccc3s2)c1C 35362528 OKDYRAVWAYCZGN-JXAWBTAJSA-N 450.523 5.778 50 10 JKGE CCOC(=O)c1c(NC(=O)/C(C#N)=C/c2cn(-c3ccccc3)nc2-c2ccccc2)sc(C)c1C 35484934 TUJQQTNVTRDDKO-RCCKNPSSSA-N 496.592 5.940 50 10 JKGE COc1ccc2c(c1)/C(=N\NC(=O)c1cc(-c3ccccc3)nc3ccccc13)C(=O)N2CC(C)C 38180385 GORNMSRBWGVZGN-TVKQRKNISA-N 478.552 5.047 50 10 JKGE Cc1cccc(Oc2nc3ccccn3c(=O)c2/C=C(/C#N)C(=O)Nc2cccc(C(F)(F)F)c2)c1 39858611 CPGSCUKEQOWISI-LGMDPLHJSA-N 490.441 5.360 50 10 JKGE Cc1cc(Oc2nc3ccccn3c(=O)c2/C=C(/C#N)C(=O)Nc2cccc(Cl)c2)ccc1Cl 39858742 UIQXPYKIUVZVLM-VBKFSLOCSA-N 491.334 5.648 50 10 JKGE CS(=O)(=O)c1ccc([C@H](Br)c2cc(Br)ccc2Br)cc1 40280657 JZZOZSZIADOTCY-AWEZNQCLSA-N 483.019 5.099 50 10 JKGE CCOc1cccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)COc4ccc(Cl)cc4C)ccc32)c1 40530157 JUKNJTAZJJKTDT-AREMUKBSSA-N 490.943 5.250 50 10 JKGE CCOc1ccccc1NC(=O)c1oc2c(c1C)/C(=N/NC(=O)c1cccc3ccccc13)CCC2 40813531 NIRWQKZEJFRLIM-UQRQXUALSA-N 481.552 5.863 50 10 JKGE Cc1c(C(=O)N(C)c2ccccc2)oc2c1/C(=N/NC(=O)c1ccc(-c3ccccc3)cc1)CCC2 40822698 UJIDSKIUVFPWJV-QCKNELIISA-N 477.564 6.002 50 10 JKGE COc1cc(/C=C(\C#N)c2ccccc2)ccc1OC(=O)COc1cc(Cl)ccc1Cl 40840743 VHGBHICNTOESJY-WOJGMQOQSA-N 454.309 6.051 50 10 JKGE CCOc1ccc([C@H](O)CCC(=O)N/N=C/c2cc(C)n(-c3cc(Cl)ccc3Cl)c2C)cc1 58894517 GITTYFFREITHJD-XZZBMYDMSA-N 488.415 5.764 50 10 JKGE Cc1ccc(-n2nc(C)c(/C=N/NC(=O)COc3ccc(C(C)(C)c4ccccc4)cc3)c2C)cc1 59166392 UDBKONBPBUMTLP-ZCTHSVRISA-N 480.612 5.653 50 10 JKGE CCCOc1c(Br)cc(/C=C\C(=O)c2ccc(O)c(CCCl)c2)cc1OC 97029996 MELIHQZUIOFNDJ-XQRVVYSFSA-N 453.760 5.630 50 10 JKGE CCCCOc1ccc([C@H](C(=O)NC2CCCCC2)N(CCC2=CCCCC2)C(=O)CCl)cc1 97915108 SWKCSFLESNIWKS-HHHXNRCGSA-N 489.100 6.313 50 10 JKGE Cc1ccc(-c2csc(/C(C#N)=C/Nc3ccc(S(=O)(=O)Nc4nccs4)cc3)n2)c(C)c1 102458167 KPGDDXKZEKZMAV-GHRIWEEISA-N 493.639 5.661 50 10 JKGE Cc1c(Br)cccc1[C@H](Br)c1ccc(Br)c2ccccc12 127477000 VIHAKKCNIKAGLG-SFHVURJKSA-N 469.014 7.158 50 10 JKGE COc1ccc(C)cc1[C@H](Br)c1cc(Br)c(Br)s1 128265437 ZWFHETVBKAOAND-LBPRGKRZSA-N 455.009 6.074 50 10 JKGE Fc1ccc([C@H](Br)c2cc(Br)c(Br)s2)c(F)c1F 128290206 KBZLIEPFGFFITI-QMMMGPOBSA-N 464.926 6.175 50 10 JKGE Cc1cc(Br)c([C@@H](Br)c2ccc(Cl)s2)cc1Br 128814417 UWADQQUVWFPRAZ-GFCCVEGCSA-N 459.428 6.719 50 10 JKGE Cc1cc(Cl)cc([C@@H](Br)c2cc(Br)sc2Br)c1 157690772 GNXNXZCLZDWMOB-LLVKDONJSA-N 459.428 6.719 50 10 JKGE CC12C[C@@H]3C[C@H](C1)CC([C@@H](Br)c1cc(Br)ccc1Br)(C3)C2 228383982 BOMGFRFIMHLBOX-QUJFETGLSA-N 477.078 7.254 50 10 JKGE Cc1cc([C@H](Cl)c2cc(Br)sc2Br)c(C)cc1Br 235879520 OWONKCJHHKRLMS-LBPRGKRZSA-N 473.455 6.981 50 10 JKGE Clc1ccc(Br)c([C@@H](Br)c2cc(Cl)c(Br)s2)c1 236051052 HUTWQIUCYZKJSE-SNVBAGLBSA-N 479.846 7.064 50 10 JKGE Clc1ccc([C@@H](Br)c2cc(I)ccc2Br)s1 236062357 PRNIWYDRAHTUJZ-NSHDSACASA-N 492.401 6.253 50 10 JKGE COC(=O)c1ccc(Cl)c(-c2ccc(C=NNC(=O)c3cc4c(ccc5ccccc54)o3)o2)c1 252594363 BRYHGPQXUUNYBI-UHFFFAOYSA-N 472.884 6.050 50 10 JKGE COc1cc(C(C)=NNC(=O)c2cc(-c3cccs3)nc3ccccc23)cc(OC)c1OC 254707686 FWJOKWOSYPVLDW-UHFFFAOYSA-N 461.543 5.143 50 10 JKGE C[C@H]1CCC[C@H](CC(CBr)(CBr)c2ccccc2Br)C1 312525561 JCEQALNOCISPBT-KBPBESRZSA-N 467.083 6.693 50 10 JKGE O=C(OCc1ccccc1)N1C[C@@H](CI)[C@H](c2cccc(Cl)c2Cl)C1 382691144 IJAQDPCSHGPEEO-GDBMZVCRSA-N 490.168 5.781 50 10 JKGE Cc1cc(C(=O)[C@@H](C)Cl)c(C)n1-c1cc(Br)ccc1I 383593905 LXFOSVZMVWKABN-SECBINFHSA-N 466.544 5.271 50 10 JKGE CC(C)(C)[Si](C)(C)OCCN1CCCOC[C@H]1c1cccc(CO[Si](C)(C)C(C)(C)C)c1 616644808 HQONJUVWCWVTGZ-DEOSSOPVSA-N 479.854 6.994 50 10 JKGE Fc1cc(Br)ccc1COc1cc(Br)ccc1CBr 691445820 RSACLIVBOQTWAJ-UHFFFAOYSA-N 452.943 5.825 50 10 JKGE Cc1ccc([C@@H](Br)c2ccc(F)c(Br)c2F)cc1Br 691638226 YOUMIXCIGWQVTI-GFCCVEGCSA-N 454.934 6.283 50 10 JKGE Cn1ncc(Br)c1[C@H](Br)c1cc(Br)sc1Br 693047307 KXPCCIJTPTXWNV-SSDOTTSWSA-N 493.844 5.253 50 10 JKGE Fc1cc(Br)cc(CBr)c1OCc1ccc(Br)cc1Cl 715829176 SQYIROLNRGYSSW-UHFFFAOYSA-N 487.388 6.478 50 10 JKGE Cc1ccc(C23C[C@H]4C[C@@H](CC(C(=O)NN=Cc5ccc(OCCC(C)C)cc5)(C4)C2)C3)cc1 1081167870 CJFFDYKMBNVKLZ-UGEFBOJUSA-N 458.646 6.408 50 10 JKGE O=C(CC[C@@H](O)c1ccccc1)NN=Cc1cn(Cc2ccc3ccccc3c2)c2ccccc12 1084131338 JRZIHYQKRKVMTO-GDLZYMKVSA-N 461.565 5.807 50 10 JKGE C=CCc1cc(/C=C(\C#N)C(=O)Nc2ccc(C)cc2)cc(OC)c1OCc1cccc(F)c1 1084643954 JTRRBGNKXVUXJA-OEAKJJBVSA-N 456.517 5.996 50 10 JKGE O=C(OCc1ccccc1)N1C[C@H](CBr)[C@H](c2ccc(Br)c([N+](=O)[O-])c2)C1 1614619213 AHKBKXYKUZUVFP-HOTGVXAUSA-N 498.171 5.104 50 10 JKGE Clc1ccc(Cl)c(NC2=NCCN=C(Nc3cc(Cl)ccc3Cl)SS2)c1 1615948511 HWDCGODWOMSMBZ-UHFFFAOYSA-N 466.246 6.931 50 10 JKGE Cc1c(C(=O)Oc2cccc3ccccc23)oc2c1C(=NNC(=O)c1ccc3ccccc3n1)CCC2 1772751744 XRGDKOSGSAJLSU-UHFFFAOYSA-N 489.531 5.979 50 10 JKGE CCCc1nn(Cc2ccc(Cl)cc2)c2c1[C@H](c1cc(Cl)ccc1O)C(C#N)=C(N)O2 1865689631 UXKQLCXDWLVSOM-HXUWFJFHSA-N 455.345 5.114 50 10 JKGE CCc1ccc(-c2ccc(C(=O)NNC(=O)c3ccc(OCc4ccccc4)cc3)c(C)n2)cc1 1865758523 DZJLYXDDLGQRJP-UHFFFAOYSA-N 465.553 5.273 50 10 JKGE COC(=O)c1c(NC(=O)/C(C#N)=C/c2cccc(Cl)c2)sc2c1CC[C@@H](C(C)(C)C)C2 1866129864 PZTQSNOOZGDAAJ-AAGJOFLKSA-N 456.995 5.885 50 10 JKGE COc1cccc([C@@H](C)CC(=O)N[C@@H](Cc2ccc(F)cc2)C(=O)Nc2ccc(SC#N)cc2)c1 1867107480 NZQNSAQCWXJSJF-BVZFJXPGSA-N 491.588 5.267 50 10 JKGE CC(C)c1nc(Nc2ccc(SC#N)cc2)cc(N2CCC[C@@H]2c2ccc(C(C)(C)C)cc2)n1 1868231941 XKILVAAOQZNNJE-XMMPIXPASA-N 471.674 7.556 50 10 JKGE COCCc1nc(Nc2ccc(SC#N)cc2)cc(N2CCCc3ccc(N4CCCC4)cc32)n1 1868253636 OKQUHNACUWKATP-UHFFFAOYSA-N 486.645 5.667 50 10 JKGE COC(=O)c1ccc2c(O)nc(/C(C#N)=C/c3ccc(OCc4ccc(C)cc4)c(OC)c3)nc2c1 1872727540 IQLMTMLUUPPKAO-CIAFOILYSA-N 481.508 5.082 50 10 JKGE CCOc1ccc(-c2csc(/C(C#N)=C(O)/C=C/c3ccc(Cl)cc3Cl)n2)c(OCC)c1 1872755425 MJWQKWXYOLVXCS-XXAHJDPLSA-N 487.408 7.420 50 10 JKGE CCOc1ccc(-c2csc(/C(C#N)=C(O)/C=C/c3ccc(OCC)c(OC)c3)n2)c(OCC)c1 1872755607 WGZAGIGWOXBKSG-GVMZUKKWSA-N 492.597 6.521 50 10 JKGE COc1cc(-c2csc(/C(C#N)=C(\O)CCCOc3ccc(C)cc3)n2)c(OC)cc1Cl 1872756292 HDFUBJSSZNQFCF-UZYVYHOESA-N 470.978 6.441 50 10 JKGE CCCCC1CCC(/C(O)=C(\C#N)c2nc(-c3cc(Cl)c(OC)cc3OC)cs2)CC1 1872756761 ZTCMBXXKYYXHEZ-NKFKGCMQSA-N 461.027 7.270 50 10 JKGE CCCCCCOc1ccc(/C=C(\C#N)c2nc(-c3cc(OC)ccc3OC)cs2)cc1OC 1872791326 DMVYQQLYJBHZQC-XSFVSMFZSA-N 478.614 6.859 50 10 JKGE CC1(C)C[C@@]1(Cl)[C@H](Br)c1ccc(OCc2ccccc2)cc1Br 1899856691 KPFWONLTEHDARV-IEBWSBKVSA-N 458.621 6.872 50 10 JKGE COc1sc([C@@H](Br)c2c(C)nsc2Br)cc1Br 1912941753 IOOWQRAYBMNGFM-MRVPVSSYSA-N 462.026 5.531 50 10 JKGE CC(C)[C@@H](CBr)N(Cc1ccccc1)C(=O)c1csc(I)c1 1915268431 LVKAUYWNESTWOE-OAHLLOKOSA-N 492.220 5.415 50 10 JKGE CC[C@@H]1OCC[C@H]1[C@H](Cl)c1c(Br)sc(Br)c1Br 1924583235 HOYWVBKAZCOTSA-JHEQGTHGSA-N 467.448 6.131 50 10 JKGE FC1(F)CCC[C@@H]1C[C@@H](Cl)c1c(Br)sc(Br)c1Br 1924612614 CMBXAIYYMUVKAT-PHDIDXHHSA-N 487.429 7.141 50 10 JKGE CC1(CC[C@@H](Br)c2c(Br)sc(Br)c2Br)CC1 1924613433 IULAMRBJBUAFAX-ZCFIWIBFSA-N 495.900 7.052 50 10 JKGE Brc1ccc(Br)c([C@@H](Br)Cc2ncccc2Br)c1 1924862282 UWAMCKDZPXVEMJ-LBPRGKRZSA-N 498.838 6.048 50 10 JKGE C[C@@H]1COc2ccc([C@H](Br)c3cc(Br)cc(Br)c3)cc21 1925755956 NCCKTEIDZLRKEX-ABKXIKBNSA-N 460.991 6.192 50 10 JKGE CC1(C)CC[C@H](NCCSSCCNC(=O)OC(C)(C)C)[C@@H](OCc2ccccc2)C1 2010827426 QSUOIQRHIGAQFL-SFTDATJTSA-N 468.729 5.646 50 10 JKGE Cc1nn(C)c([C@H](Cl)c2cc(Br)sc2Br)c1Br 2017382019 ASIIVPMYMBRWSQ-MRVPVSSYSA-N 463.420 5.406 50 10 JKGE Brc1csc([C@@H](Br)c2ncn3ccsc23)c1Br 2024753723 WZCAAPLFVGPRBL-ZETCQYMHSA-N 457.010 5.467 50 10 JKGE Fc1cc2c(cc1I)nc(CCl)n2[C@H]1CC[C@@H]1OCc1ccccc1 2038730564 VWPAYHALRPYVCR-WMZOPIPTSA-N 470.713 5.439 50 10 JKGE C[C@@]1([C@@H](Br)c2cc(Br)sc2Br)CCCCC1(F)F 2048988391 SOOXNRMFUBRHSL-ONGXEEELSA-N 467.011 6.925 50 10 JKGE Fc1cc(Br)c(Cl)cc1[C@@H](Br)c1cc(Br)c(Cl)s1 2052452113 UWALREWNSNJUPZ-SNVBAGLBSA-N 497.836 7.203 50 10 JKGE Cn1cc([C@H](Br)c2cc(C3CC3)c(Br)s2)c(Br)n1 2052975110 DYAVQHLEJCRFEB-JTQLQIEISA-N 455.013 5.368 50 10 JKGE Clc1c(Br)sc(Br)c1[C@H](Br)[C@H]1C[C@@H]2CCC[C@@H]2C1 2063510213 OBRBSUSBAMXDEW-IBCQBUCCSA-N 477.487 7.189 50 10 JKGE Cc1c([C@H](Cl)c2ccc(Br)cc2Br)nn(C)c1Br 2083317378 FVSLTQKMRXGAPH-SNVBAGLBSA-N 457.391 5.344 50 10 JKGE Fc1cc(OCc2ccc(Br)cc2Br)ccc1CBr 2092265751 IUYRLQPHTOBSAU-UHFFFAOYSA-N 452.943 5.825 50 10 JKGE O=C(c1csc(Br)c1Br)N1[C@H]2CCC[C@@H](Br)[C@H]1CC2 2097810340 AGQVFLSGTIRZEW-FXBDTBDDSA-N 472.040 5.194 50 10 JKGE Cc1csc([C@@H](Br)c2c(C)cc(C)c(Br)c2C)c1Br 2100814432 IHLRTASSQYRDMV-AWEZNQCLSA-N 467.064 6.991 50 10 JKGE CC(C)CO[C@@H]1[C@H](Br)C[C@H]1Oc1c(Br)cccc1Br 2109256372 CVVYLIUMRNHXSN-YRGRVCCFSA-N 457.000 5.167 50 10 JKGE CN(C[C@H](Br)C1CCCC1)C(=O)c1cc(Br)c(Br)s1 2111349527 XKZMDRNBYFDNAW-JTQLQIEISA-N 474.056 5.299 50 10 JKGE Cc1cc([C@H](Br)c2cc(I)ccc2F)c(C)cc1Cl 2113357994 MCSNPCPYQISFHS-HNNXBMFYSA-N 453.520 6.185 50 10 JKGE CCCCO[C@H]1[C@@H](Oc2ccc(Br)cc2Br)C[C@H]1Br 2118395896 VPDVKSGCJAFHMK-KWCYVHTRSA-N 457.000 5.312 50 10 JKGE Cc1c(Br)ccc([C@@H](Br)c2ccc(Cl)cc2F)c1Br 2138849218 CXMRFPIZEZEMDV-AWEZNQCLSA-N 471.389 6.797 50 10 JKGE CC1(C)CCCN(Cc2ccc(I)c(Cl)c2)[C@@H]1CBr 2142943854 PDALGVOQFHOTNO-CQSZACIVSA-N 456.593 5.330 50 10 JKGE CN(C[C@H](Br)C1CCCCC1)C(=O)c1csc(Br)c1Br 2167654612 YTWYYTUPVKPJQW-NSHDSACASA-N 488.083 5.689 50 10 JKGE O=S(=O)(c1cc(CBr)ccc1Cl)N(Cc1ccccc1)CC1CCCCC1 2179786387 ZVIGPOIPPNQZEO-UHFFFAOYSA-N 470.860 6.006 50 10 JKGE C[C@H]1C[C@H](n2c(CCCl)nc3cc(I)ccc32)CN(Cc2ccccc2)C1 2184261515 YHQXEICTTPXYTO-LPHOPBHVSA-N 493.820 5.505 50 10 JKGE CC[C@@]12CC[C@@]([C@H](Br)c3cc(Br)c(C)cc3Br)(CO1)C2 2201822805 HQWZYTUBSFXPDI-PMPSAXMXSA-N 467.039 6.305 50 10 JKGE Cc1ccc(I)c([C@H](Cl)c2cc(Br)c(Cl)s2)c1 2217422302 GADQUGQNWZAFPO-NSHDSACASA-N 461.977 6.405 50 10 JKGE Fc1cc(Br)c(Br)c2c1CC[C@@H](C(F)F)C[C@@H]2Br 2218604828 ZYKAEWNYEQMDKY-VDTYLAMSSA-N 450.918 6.004 50 10 JKGE COCc1cc(Br)c([C@H](Br)c2cc(Br)c(C)s2)s1 2218971635 NNKFANVFTFVMPO-LLVKDONJSA-N 475.065 6.274 50 10 JKGE Cc1sc([C@H](Br)c2c(Br)sc(Br)c2Cl)c(C)c1C 2221247635 WUMSKYFMBQPSSH-MRVPVSSYSA-N 493.511 7.398 50 10 JKGE ClCCc1nc2ccc(Br)cc2n1C[C@@H]1CC1(Br)Br 2224804972 LWMBDRSUHKHHNU-QMMMGPOBSA-N 471.418 5.086 50 10 JKGE Cn1nc([C@@H](Br)c2cc(Br)c(Br)cc2F)c(Cl)c1Cl 2225618043 UGINCWWUUQBJJW-QMMMGPOBSA-N 495.799 5.875 50 10 JKGE Fc1ccc(I)cc1[C@@H](Br)Cc1cc(Cl)cc(Cl)c1 2232133112 GKSFHAKFVYRQKV-ZDUSSCGKSA-N 473.938 6.416 50 10 JKGE Cc1cc(Br)c([C@@H](Br)c2cscc2C(F)F)c(C)c1Br 2235614945 MWZLRWRHCFRPLZ-ZDUSSCGKSA-N 489.017 7.312 50 10 JKGE Fc1ccc(I)cc1[C@H](Br)c1ccc([C@@H]2CCOC2)s1 2240420456 AOJKJQSJFSHTTH-PSLIRLAXSA-N 467.141 5.480 50 10 JKGE O=C(c1cc(Br)c(Br)s1)N1[C@H](CBr)C[C@@H]2CCCC[C@@H]21 2240733899 WRFOLBABFYYLDO-QXEWZRGKSA-N 486.067 5.441 50 10 JKGE Cc1cc(Br)c([C@@H](Br)c2ccc(Br)cc2)c(C)c1F 2264472824 XOBSQZPZOMNPKF-AWEZNQCLSA-N 450.971 6.452 50 10 JKGE CC1(C)CO[C@@H]([C@@H](Br)c2c(F)cc(Br)c(F)c2Br)C1 2272723370 FWLQDFVULVKGOD-PSASIEDQSA-N 462.954 5.741 50 10 JKGE CC(C)([C@@H](Br)c1c(F)cc(Br)c(F)c1Br)C(F)(F)F 2272855320 WIIKRLSOYMCLKT-VIFPVBQESA-N 474.887 6.514 50 10 JKGE Brc1cc(Br)cc(C[C@H](Br)c2ccc(C3CC3)s2)c1 2277882374 AEACFMFZSBJKEP-ZDUSSCGKSA-N 465.048 6.829 50 10 JKGE COc1c(Br)cc([C@@H](Br)[C@H]2C[C@H](Br)C2)c(OC)c1C 2278019460 QEJRQCJMMFUEAZ-AUTRQRHGSA-N 457.000 5.384 50 10 JKGE COc1ccc([C@H](Br)c2cccc(Br)c2C)c(Br)c1Cl 2283563930 PIQBJCZEJCUKAI-CYBMUJFWSA-N 483.425 6.666 50 10 JKGE C[C@@H]1C[C@H]1CCCCO[C@](C)(CI)c1ccccc1Br 2284094806 HOERVBRLALIFSQ-CKEIUWERSA-N 451.186 5.942 50 10 JKGE Fc1cc(Br)c(F)c(Br)c1[C@@H](Br)[C@H]1C[C@@H]2CC[C@H](C1)O2 2288360567 XPMUALUEIQBWLY-ZNWBZCOPSA-N 474.965 5.883 50 10 JKGE Cc1cc(Br)c(C)c([C@H](Br)[C@@]23CCCC[C@@H]2CC3)c1Br 2288994695 CFKVRUWCMMDODC-OAUYIBNBSA-N 465.067 7.235 50 10 JKGE N#CC(=Cc1ccc(OCCOc2ccccc2Cl)c(Cl)c1)C(=O)NCc1ccco1 2293993132 IQTMKQKUTBLXMN-UHFFFAOYSA-N 457.313 5.268 50 10 JKGE CCOc1cc(C=C(C#N)C(=O)NC[C@H]2CCCO2)ccc1OCc1cccc2ccccc12 2294146945 IZCNKPFRXBAOFV-XMMPIXPASA-N 456.542 5.020 50 10 JKGE COc1c(Br)cc(Cl)c(C)c1[C@@H](Cl)c1ccccc1I 2295280474 BWKDBCKRBYYULQ-AWEZNQCLSA-N 485.974 6.352 50 10 JKGE COc1c(Br)cc(Cl)c(C)c1[C@H](Cl)c1cc(C)c(Br)s1 2295373617 VBCSHAAVWUUMHH-GFCCVEGCSA-N 459.030 6.880 50 10 JKGE O=C(c1cc(C(F)(F)F)ccc1C(F)(F)F)N(CCBr)Cc1ccccc1 2295807481 PQVFXYXFFBSUHS-UHFFFAOYSA-N 454.208 5.762 50 10 JKGE COC(=O)c1cc(OC)c(OC)cc1NC=C(C#N)c1nc(-c2ccc(Cl)cc2)cs1 2295945609 BKTPCIKMQBVFQM-UHFFFAOYSA-N 455.923 5.244 50 10 JKGE Cc1cccc(Oc2nc3ccccn3c(=O)c2C=C(C#N)c2nc3ccccc3s2)c1C 2296543586 OKDYRAVWAYCZGN-UHFFFAOYSA-N 450.523 5.778 50 10 JKGE N#CC(=Cc1ccc2noc(-c3ccccc3)c2c1)c1nc(-c2cccc([N+](=O)[O-])c2)cs1 2296834401 GGUBMJZRWTWUJJ-UHFFFAOYSA-N 450.479 6.591 50 10 JKGE CCCOc1ccc(C=NNC(=O)C(Oc2ccccc2)Oc2ccccc2)c(OCCC)c1 2297710403 VENABIDUNKZJAQ-UHFFFAOYSA-N 462.546 5.198 50 10 JKGE CO[C@@H]1CC[C@H]1C[C@H](Br)c1cc(Br)ccc1OCc1ccccc1 2299488710 JCDLZBWNRAETTF-ZYSHUDEJSA-N 454.202 6.279 50 10 JKGE Clc1ccc([C@@H](Br)c2ccc(OCc3ccccc3)cc2Br)cc1 2299495525 LIGYSAITSLNKEY-HXUWFJFHSA-N 466.600 7.166 50 10 JKGE COc1cc([C@@H](Br)c2sc(Cl)cc2I)sc1Cl 2301932313 DGPVOAXYJCQNGX-MRVPVSSYSA-N 484.005 6.214 50 10 JKGE CCOc1cc(C=C(C#N)C(=O)Nc2cc(C)ccc2C)ccc1OCc1cccc2ccccc12 2313511068 MDVZWIHVQLZBHK-UHFFFAOYSA-N 476.576 6.980 50 10 JKGE N#CCOc1ccc(Br)cc1C=C(C#N)C(=O)Nc1cccc(Cl)c1Cl 2313571049 MDPKBDICMQAMBO-UHFFFAOYSA-N 451.107 5.204 50 10 JKGE COc1ccc(-c2nn(-c3ccccc3)cc2C=C(C#N)c2nc(O)c3ccccc3n2)cc1Cl 2314432903 HFZWWTKOKUGBGK-UHFFFAOYSA-N 479.927 5.914 50 10 JKGE CCc1ccccc1[C@@H](Br)c1ccc(OCc2ccccc2)cc1Br 2314441538 ZOKNAQAJKHDRML-JOCHJYFZSA-N 460.209 7.075 50 10 JKGE CC(C)c1ccc(NC(=O)C(C#N)=Cc2cc([N+](=O)[O-])ccc2OCC(=O)Nc2ccccc2)cc1 2314487686 HNWPZAZBJAPJDO-UHFFFAOYSA-N 484.512 5.281 50 10 JKGE Cc1ccc(NC(=O)C(C#N)=Cc2c(Oc3cccc(C)c3C)nc3c(C)cccn3c2=O)cc1C 2314532253 IBWCHFZMDDMUMN-UHFFFAOYSA-N 478.552 5.575 50 10 JKGE N#CC1=C(N)Oc2cc(OC(=O)C=Cc3ccc(Cl)cc3Cl)ccc2[C@H]1c1cccc(Cl)c1 2314634150 RWZRTIIYEXAGII-XMMPIXPASA-N 497.765 6.484 50 10 JKGE N#CC(=CNc1cccc(Br)c1)C(=O)Nc1ccccc1Sc1ccccc1 2318463118 WZUBMVBNSZITJN-UHFFFAOYSA-N 450.361 6.058 50 10 JKGE O=C(Cc1ccc(Br)cc1Cl)N[C@@H](CCBr)COCc1ccccc1 2320355823 CJYMPLUYQFYPJX-KRWDZBQOSA-N 489.635 5.132 50 10 JKGE COc1ccc(-c2csc(C(C#N)=C(O)c3ccc(N4C(=O)c5ccccc5C4=O)cc3)n2)cc1C 2331259126 OCGRPIZUORHXDJ-UHFFFAOYSA-N 493.544 5.878 50 10 JKGE COc1ccc(CC(O)=C(C#N)c2nc(-c3cc(C(C)C)c(OC)cc3C)cs2)cc1OC 2331352137 JVCCETIJZDJPQA-UHFFFAOYSA-N 464.587 6.303 50 10 JKGE COc1cc(Cl)c(C)cc1-c1csc(C(C#N)=C(O)[C@H](C)Oc2ccccc2C(C)C)n1 2331390595 RKZQZGYIRRFJRT-INIZCTEOSA-N 469.006 7.164 50 10 JKGE COc1ccc(-c2csc(C(C#N)=C(O)c3cc4ccccc4oc3=O)n2)c2ccccc12 2331408196 HBTKKTHNIKKIMJ-UHFFFAOYSA-N 452.491 6.028 50 10 JKGE COc1ccc(C(C)(C)C)cc1-c1csc(C(C#N)=Cc2cc(Cl)c(O)c(OC)c2)n1 2331462844 XCUYGHJZIDSYHZ-UHFFFAOYSA-N 454.979 6.548 50 10 JKGE CCOc1cc(C=C(C#N)c2nc(-c3cc(C)cc(C)c3OC)cs2)cc(Br)c1O 2331468725 RNDKWZVZFMYMKK-UHFFFAOYSA-N 485.403 6.367 50 10 JKGE CCOc1c(Br)cc(C=C(C#N)c2nc(-c3ccc(C)c(C)c3)cs2)cc1OC 2331472738 QRYGEUQLSXTEAE-UHFFFAOYSA-N 469.404 6.661 50 10 JKGE N#CC(=Cc1cc(Br)ccc1O)c1nc(-c2cc(Cl)ccc2Cl)cs1 2331488744 VEXBUNVUUYQJHY-UHFFFAOYSA-N 452.160 6.649 50 10 JKGE Cc1c(Br)ccc([C@H](Br)[C@H]2OC[C@@H]3CCC[C@H]23)c1Br 2333518753 MOEHHJLWPVCLIV-CHPZLBCBSA-N 453.012 5.771 50 10 JKGE Clc1ccc(CC[C@@H](Br)c2ccccc2Cl)cc1I 2337219889 XSWYIBBNMNGHPI-GFCCVEGCSA-N 469.975 6.667 50 10 JKGE COc1c(C)cc([C@@H](Br)c2ccc(Br)cc2Br)cc1Cl 2362874236 ZOIANDHYFYSNDN-CQSZACIVSA-N 483.425 6.666 50 10 JKGE CC1(C)CC2(C1)CC(CBr)(Cc1ccc(Cl)cc1I)C2 2366713017 VDFPQVFLNYZORA-UHFFFAOYSA-N 467.616 6.469 50 10 JKGE Clc1ccc(CN2[C@H](CBr)C[C@@H]3CCCC[C@H]32)c(I)c1 2366715857 SKRRFQLARJBFGB-HZUKXOBISA-N 468.604 5.473 50 10 JKGE COCc1ccc([C@H](Br)c2c(F)cc(Br)c(F)c2Br)s1 2368081213 DUSGORJICKSTQU-NSHDSACASA-N 490.989 6.182 50 10 JKGE Cl[C@@H]1C[C@H]2CCCC[C@@H]2N(Cc2ccc(I)c(Br)c2)C1 2377313431 CVTCIVWCQMWKGR-IOASZLSFSA-N 468.604 5.426 50 10 JKGE C[C@@](CCl)(NCc1ccc(I)c(Br)c1)c1ccccc1 2377316012 KWNUUAQMBISCQO-INIZCTEOSA-N 464.572 5.298 50 10 JKGE Cc1ccc(N2C(=O)[C@@H](Cc3ccccc3C)S/C2=C(\C#N)C(=O)NCc2ccccc2)cc1 16739756 OHVDGDQYOOHHHF-NJEMLTPYSA-N 467.594 5.046 50 10 JKGE COc1cc([C@@H]2CC(=O)N3CN(Cc4ccccc4)CSC3=C2C#N)ccc1OCc1ccccc1 20238384 LZLBQWNYNRVULB-DEOSSOPVSA-N 497.620 5.489 50 10 JKGE N#C/C(=C/c1ccc(-c2ccc([N+](=O)[O-])cc2Br)o1)C(=O)Nc1ccc(Cl)cc1 33409298 ATPJHPPERSXRQE-XFXZXTDPSA-N 472.682 5.816 50 10 JKGE COc1cccc(COc2ccc(Br)cc2/C=C(/C#N)S(=O)(=O)c2ccccc2)c1 33470813 JYCBPIQKZPKPRS-HMAPJEAMSA-N 484.371 5.375 50 10 JKGE CCCCCCOc1ccc(-c2nn(-c3ccccc3)cc2/C=C(/C#N)C(=O)NC[C@@H]2CCCO2)cc1 33700667 IEZKWPJIXXCADC-XJSUGRSLSA-N 498.627 5.701 50 10 JKGE CC(C)=CCC/C(C)=C/C[C@]12OC(C)(C)[C@H](Cl)C[C@]1(Cl)C(=O)c1c(cc(O)c(C)c1O)C2=O 33984416 ZLFOHASQVSADOU-ROSJCPAJSA-N 495.443 6.391 50 10 JKGE in-vitro N#C/C(=C/c1cc([N+](=O)[O-])ccc1OCC(=O)Nc1nccs1)c1nc(-c2ccccc2)cs1 35519498 ACCMLIJUJUNZDD-YVLHZVERSA-N 489.538 5.256 50 10 JKGE ClCCc1nc2cc(Br)ccc2n1-c1ccc(I)cc1 36910624 NVOUYRGMLOULCK-UHFFFAOYSA-N 461.528 5.174 50 10 JKGE Cc1ccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)COc4ccc(C(C)(C)C)cc4)ccc32)cc1 38649252 RODSIFQPRXLEMR-HHHXNRCGSA-N 468.553 5.495 50 10 JKGE CCCCOc1cccc(C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@H]3c2ccc(CC)cc2)c1 38677467 HODZKPXOHXVNKN-MHZLTWQESA-N 468.553 5.865 50 10 JKGE Cc1cc(C)cc(OCC(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@H]3c2c(F)cccc2Cl)c1 38680524 XOZCQDWQTPTTEC-DEOSSOPVSA-N 478.907 5.299 50 10 JKGE CC(C)CCOc1cccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)COc4ccccc4)ccc32)c1 38684633 FTYQXCKEFHRUMJ-MUUNZHRXSA-N 484.552 5.314 50 10 JKGE CCCCOc1ccc(C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@H]3c2cccc(OCC)c2)cc1 38684911 BOGCJKXATNNVAX-MHZLTWQESA-N 484.552 5.702 50 10 JKGE CCOc1cccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4cccc5ccccc45)ccc32)c1 38684933 RTRJSIHDUBTAKL-HHHXNRCGSA-N 462.505 5.676 50 10 JKGE CCCCCOc1ccccc1[C@@H]1C(C#N)=C(N)Oc2cc(OC(=O)c3ccccc3C)ccc21 38685997 UNFCKFFFBXUZJD-MHZLTWQESA-N 468.553 6.001 50 10 JKGE CCc1ccc(Oc2nc3c(C)cccn3c(=O)c2/C=C(\C#N)C(=O)Nc2cccc(C)c2)cc1 39992928 BFFCGXIJAVDDAU-LTGZKZEYSA-N 464.525 5.212 50 10 JKGE Cc1c(C(=O)Oc2cccc3ccccc23)oc2c1/C(=N/NC(=O)Cc1ccc([N+](=O)[O-])cc1)CCC2 40814628 RUIBTLNKNFEBLT-QUPMIFSKSA-N 497.507 5.268 50 10 JKGE Cc1c(C(=O)Nc2cc(Cl)ccc2Cl)oc2c1/C(=N/NC(=O)COc1ccccc1)CCC2 40816117 AZNBHMKZTLDXJO-MTDXEUNCSA-N 486.355 5.383 50 10 JKGE COc1cc(/C=N/NC(=O)COc2ccc3ccccc3c2)ccc1OCc1ccccc1Cl 40888512 MDRJBSPSNKTIMY-MUFRIFMGSA-N 474.944 5.610 50 10 JKGE Cc1ccccc1SCC(=O)N/N=C1/C(=O)N(C(c2ccccc2)c2ccccc2)c2ccccc21 59148155 JIXLINRIEVZSDL-VEWQFJOQSA-N 491.616 5.744 50 10 JKGE O=C(N/N=C/c1ccc(OCc2ccc(Cl)cc2Cl)cc1)c1cc(Br)ccc1O 59447362 BRGWNTYMSWVTTM-OPEKNORGSA-N 494.172 5.804 50 10 JKGE C/C(=N/NC(=O)c1cc2c(C)nn(-c3ccccc3)c2s1)c1ccc2c(c1)Nc1ccccc1S2 89568288 VCYLWIPFBIKFJN-MWLSYYOVSA-N 495.633 6.758 50 10 JKGE COC(=O)c1cc(-c2ccccc2)sc1NC(=O)/C(C#N)=C\c1cn(C(C)C)c2ccccc12 96438298 XZVHREJBWQOPJR-UYRXBGFRSA-N 469.566 6.283 50 10 JKGE N#C/C(=C/c1ccc(OCc2ccc(Cl)c(Cl)c2)c(Cl)c1)C(=O)NCc1ccco1 96515544 HYPFXSJDORNYQX-PXNMLYILSA-N 461.732 6.042 50 10 JKGE Clc1ccc(Br)cc1[C@H](Cl)c1cc(Br)sc1Br 109825126 HVBDTDQGOAQXPT-JTQLQIEISA-N 479.846 7.017 50 10 JKGE COc1cc(C)c(Br)cc1[C@H](Cl)c1csc(I)c1 124444907 FNAKBLKZBZBQPH-CYBMUJFWSA-N 457.558 5.760 50 10 JKGE COc1cc(Cl)c([C@@H](Br)c2cc(Br)ccc2Cl)cc1Cl 164524538 REHBXNFPSZWROS-AWEZNQCLSA-N 459.392 6.902 50 10 JKGE CCOC(=O)/C(C#N)=C\c1ccc(OC(=O)CCCOc2ccc(C(C)(C)CC)cc2)c(OC)c1 207297497 OQEGTQSSOLZWMH-FXBPSFAMSA-N 479.573 5.617 50 10 JKGE CCOc1ccc(C)cc1[C@@H](C)N/C=C(/C#N)C(=O)Nc1ccc(I)cc1C 217253830 IICBSZAVDRWRBV-UDLNKVAWSA-N 489.357 5.004 50 10 JKGE O=[N+]([O-])c1cc(Br)cc(Oc2cc(Br)ccc2CBr)c1 218414321 QFZXJTOMJQQVCC-UHFFFAOYSA-N 465.923 5.807 50 10 JKGE Cc1sc(Br)cc1[C@H](Cl)c1ccc(Br)cc1Br 235824026 FDLGGPXVRATTQL-GFCCVEGCSA-N 459.428 6.672 50 10 JKGE Cc1ccc(C[C@H](Br)c2cc(Br)ccc2I)nc1 235920291 QMUOXSCBEFELKJ-ZDUSSCGKSA-N 480.969 5.436 50 10 JKGE Clc1ccc(I)c([C@@H](Br)Cc2ccncc2Cl)c1 236069009 PUQAIAIQSPIZAJ-NSHDSACASA-N 456.936 5.672 50 10 JKGE Brc1ccc(Br)c([C@H](Br)[C@@H]2CC[C@H]3CCCC[C@H]3C2)c1 250897386 QGVRRSWHUGIREG-IPJQOSJUSA-N 465.067 7.254 50 10 JKGE CCn1c2ccccc2c2cc(NC(=O)CC(C)=NNC(=O)COc3ccccc3C)ccc21 254301029 ZQIQHRXWBBBOTF-UHFFFAOYSA-N 456.546 5.023 50 10 JKGE Cc1ccc(-c2nnc(SCC(=O)NN=Cc3ccc(C(C)(C)C)cc3)n2-c2ccc(C)cc2)cc1 254441202 NWHKSHJQEQWOQK-UHFFFAOYSA-N 497.668 6.091 50 10 JKGE COc1ccc(-n2nc(C(=O)NN=Cc3ccc(C(C)(C)C)cc3)nc2-c2ccccc2)cc1 263622522 OXAFMSOVDUPFFF-UHFFFAOYSA-N 453.546 5.004 50 10 JKGE CC(=NNC(=O)[C@H](C)Oc1ccc(Cl)cc1C)c1ccc(NC(=O)C2CCCCC2)cc1 263629105 WGIAUKHWYMWUSI-SFHVURJKSA-N 455.986 5.475 50 10 JKGE CC[C@H](C)[C@H](CO[C@@](C)(CI)c1ccccc1Br)OC 384681766 GKGUYBUDQAJCRO-RCBQFDQVSA-N 455.174 5.177 50 10 JKGE ClCCc1nc2ccc(Br)cc2n1CCCOCCOCc1ccccc1 390634739 LRFXDKUZZBHDGF-UHFFFAOYSA-N 451.792 5.204 50 10 JKGE CCCc1ccc([C@H]2CN(C(=O)OCc3ccccc3)C[C@@H]2CI)cc1 394676533 TXCDYAADOSLPLD-LEWJYISDSA-N 463.359 5.426 50 10 JKGE Cc1cc(F)c([C@@H](Br)c2cc(Br)ccc2Br)cc1Cl 395567425 KSLGOYWLUGQVLW-AWEZNQCLSA-N 471.389 6.797 50 10 JKGE ClCc1nc2cc(I)ccc2n1Cc1csc(Br)c1 397298560 ZWQPQRIFIDKHSD-UHFFFAOYSA-N 467.557 5.252 50 10 JKGE CC(C)(C)OC(=O)NCCN1CCOC[C@H]1c1ccc(CCO[Si](C)(C)C(C)(C)C)cc1 616604195 RQDWQHVZZXWWSH-QFIPXVFZSA-N 464.723 5.149 50 10 JKGE CC(C)(C)OC(=O)Nc1ccc([C@@H]2COCCCN2CCO[Si](C)(C)C(C)(C)C)cc1 616645625 PLHXVCWTKPUEDI-NRFANRHFSA-N 450.696 5.819 50 10 JKGE N#Cc1c(F)ccc2nc(CCl)n(CC3(N(Cc4ccccc4)Cc4ccccc4)COC3)c12 705616146 IRHXZXBZWBLYJR-UHFFFAOYSA-N 474.967 5.257 50 10 JKGE Cc1ccccc1C(CBr)(CBr)Cc1ncc(Br)s1 713641188 YGFMCLXWYUACOZ-UHFFFAOYSA-N 468.052 5.484 50 10 JKGE Cc1ccc([C@H](Cl)c2cccc(F)c2I)c(C)c1Br 721719406 OSMZJXHXQPQBRD-AWEZNQCLSA-N 453.520 6.138 50 10 JKGE Cc1ccc(COc2ccc(C=NNC(=O)c3cc4cc(Br)ccc4o3)cc2)cc1 1083889721 OTIUDDIFNBHLOI-UHFFFAOYSA-N 463.331 5.847 50 10 JKGE Cc1cccc(COc2ccc(C=NNC(=O)c3ccc(-n4c(C)ccc4-c4ccccc4)cc3)cc2)c1 1084055023 XNXPTKJBAQKGLE-UHFFFAOYSA-N 499.614 7.104 50 10 JKGE CC(=NNC(=O)c1ccc(NC(=O)c2ccc(C(C)(C)C)cc2)cc1)c1ccc(-c2ccccc2)cc1 1084105938 UUKCOZNTYWPELS-UHFFFAOYSA-N 489.619 7.057 50 10 JKGE COc1cccc(/C=C(/C#N)C(=O)Nc2ccc(C)cc2)c1OCc1ccc(Br)cc1 1084119092 WGSQDTGZSIHSRP-ZHZULCJRSA-N 477.358 5.891 50 10 JKGE Cc1cccc(COc2c(Cl)cc(C=NNC(=O)c3cc4ccccc4o3)cc2Br)c1 1084298220 BCPNEBWMNUXZBL-UHFFFAOYSA-N 497.776 6.500 50 10 JKGE Cc1cccc(NC(=O)/C(C#N)=C\c2cc(Br)ccc2OCc2ccc(Cl)cc2)c1C 1084541729 FJQMPPQHZGMNAH-NDENLUEZSA-N 495.804 6.844 50 10 JKGE Cc1ccc(OC(=O)c2oc3c(c2C)C(=NNC(=O)c2ccc(Cl)c([N+](=O)[O-])c2)CCC3)cc1 1772748803 UFMFPXQFKVUXER-UHFFFAOYSA-N 481.892 5.148 50 10 JKGE O=C(Nc1ncccc1OCCOc1cccc2ccccc12)Oc1ccc([N+](=O)[O-])cc1F 1858692218 BHDGYDFCZNLUSK-UHFFFAOYSA-N 463.421 5.351 50 10 JKGE N#CC1=C(N)Oc2c(c(-c3ccccc3)nn2Cc2cccc(Cl)c2)[C@H]1c1c(F)cccc1Cl 1865681925 ASLSPIMNOJDOPB-OAQYLSRUSA-N 491.353 6.262 50 10 JKGE CCOc1c(OC)cccc1[C@H]1C(C#N)=C(N)Oc2c1c(-c1ccccc1)nn2Cc1ccccc1F 1865692811 IMUIZCXPULGNAT-DEOSSOPVSA-N 496.542 5.363 50 10 JKGE Cc1ccc(COc2ccc([C@H]3C(C#N)=C(N)Oc4c3c(C)nn4-c3ccc(Cl)cc3)cc2)cc1 1865692912 JTGZDJOVCSDMFU-SANMLTNESA-N 482.971 5.940 50 10 JKGE COc1cc([C@H]2C(C#N)=C(N)Oc3c2c(-c2ccccc2)nn3Cc2ccccc2)cc(Cl)c1O 1865706605 AGPNLFCLHYHVFY-QFIPXVFZSA-N 484.943 5.184 50 10 JKGE CCCC[C@H](NC(=O)C[C@H](c1ccc2c(c1)OCCO2)C1CC1)C(=O)Nc1ccc(SC#N)cc1 1866732212 UVFSWCLXJRFAGS-GOTSBHOMSA-N 493.629 5.228 50 10 JKGE CC[C@H](NC(=O)C[C@H](c1ccc(OC)c(C)c1)C(C)C)C(=O)Nc1ccc(SC#N)cc1 1866771790 NXWKNJBARLBEHA-VXKWHMMOSA-N 453.608 5.240 50 10 JKGE C[C@H](NC(=O)C[C@H](c1ccc(F)cc1)c1cccc(F)c1)C(=O)Nc1ccc(SC#N)cc1 1866773628 VQFMOWLKPCLPII-QMHKHESXSA-N 465.525 5.203 50 10 JKGE COCCN1[C@@H](C)CN(c2cc(Nc3ccc(SC#N)cc3)nc(-c3ccccc3C)n2)C[C@H]1C 1868301695 VEUNQHIMXAFSGH-OYRHEFFESA-N 488.661 5.314 50 10 JKGE COCCN1[C@@H](C)CN(c2cc(Nc3ccc(SC#N)cc3)nc(-c3ccccc3)n2)C[C@@H]1C 1868365766 XBMKHZQSKFAHKO-PMACEKPBSA-N 474.634 5.006 50 10 JKGE CCCCCCCCCOc1ccc(/C=C(\C#N)c2nc(O)c3ccccc3n2)cc1Br 1872726778 JVVOVOFZNZGQPR-CAPFRKAQSA-N 494.433 7.291 50 10 JKGE COc1cccc(/C=C(\C#N)c2cc3c(cc2[N+](=O)[O-])OCCO3)c1OCc1ccccc1F 1872728863 YFLKRMAQQQBAKJ-WOJGMQOQSA-N 462.433 5.157 50 10 JKGE N#C/C(=C(/O)COc1cc(Cl)ccc1Cl)c1nc(-c2ccc(Cl)c(Cl)c2)cs1 1872749260 IVPZSMLKLBZJGW-ATVHPVEESA-N 472.180 7.295 50 10 JKGE CCc1cccc(CC)c1N1C[C@@H](/C(O)=C(\C#N)c2nc(-c3ccc(C)cc3)cs2)CC1=O 1872749401 PMUXXBAJVFKUFM-OUJYPELJSA-N 457.599 6.089 50 10 JKGE COc1c(C)cc(C)cc1-c1csc(/C(C#N)=C(\O)[C@@H]2CC(=O)N(Cc3ccccc3)C2)n1 1872755006 UJXYBHMDAOBMNH-GZXZFMISSA-N 459.571 5.277 50 10 JKGE COc1ccc(-c2csc(/C(C#N)=C(O)/C=C/c3ccc(Cl)c(Cl)c3)n2)c2ccccc12 1872758665 KJXFYYYJYOEURL-HYKFUTAESA-N 479.388 7.785 50 10 JKGE COc1ccc(-c2csc(/C(C#N)=C(\O)[C@@H](C)Oc3ccc(Cl)cc3)n2)c2ccccc12 1872758748 OSFSNMRRDZFRGQ-MQUBGCMGSA-N 462.958 6.885 50 10 JKGE CCCOc1ccc(-c2csc(/C(C#N)=C/c3ccc(OCc4ccccc4)cc3)n2)cc1 1872791082 VAQMZNWIMZDYCP-JJIBRWJFSA-N 452.579 7.242 50 10 JKGE COc1cc(/C=C/C(O)=C(\C#N)c2nc(-c3ccc4ccccc4c3)cs2)ccc1OC(C)=O 1873940851 KIHZXGWMLWZSFT-KSZJPLNNSA-N 468.534 6.403 50 10 JKGE CC[C@H](Br)CN(Cc1ccccc1)S(=O)(=O)c1cc(C)c(Br)s1 1915073162 CCPISQYXXHKJOZ-AWEZNQCLSA-N 481.275 5.183 50 10 JKGE Cc1c(Br)sc([C@H](Br)c2cc(Cl)n(C)n2)c1Br 1922935813 SJWUVDUQXRASHC-MRVPVSSYSA-N 463.420 5.453 50 10 JKGE Brc1cc(Br)c([C@H](Br)c2ccc3c(c2)CCO3)s1 1922937185 AFNHDNFRZGSDIY-GFCCVEGCSA-N 452.993 5.692 50 10 JKGE C[C@@H]1OCC[C@H]1[C@H](Br)c1c(Br)sc(Br)c1Cl 1923068814 WRVXWEJUABGRLH-BFHQHQDPSA-N 453.421 5.788 50 10 JKGE FC1(F)[C@@H]([C@H](Cl)c2c(Br)sc(Br)c2Br)C12CCC2 1924615808 GOMYZEAOHGHZEV-RQJHMYQMSA-N 485.413 6.751 50 10 JKGE Cc1ccc([C@@H](Br)c2c(Cl)sc(Br)c2Cl)c(Br)c1 1925588226 NVCRPIWELXRFMP-SECBINFHSA-N 493.873 7.373 50 10 JKGE Clc1ccc(CN(Cc2ccccc2)C2(CBr)CCC2)cc1Br 1979518211 RXAXWDODAYXVHD-UHFFFAOYSA-N 457.637 6.422 50 10 JKGE Cc1cc(Br)c(CBr)c(N2CCN(Cc3ccccc3)[C@@H](C)C2)c1 2005452228 FTQGNQNGCLSDKO-INIZCTEOSA-N 452.234 5.363 50 10 JKGE CC(F)(F)C1([C@@H](Br)c2sc(Br)cc2Br)CCC1 2016006034 YKRXHBPNFLIQHV-VIFPVBQESA-N 452.984 6.535 50 10 JKGE CN(Cc1sccc1Br)c1ccc(CBr)cc1Br 2039295255 UCNOXZQMLWBPLI-UHFFFAOYSA-N 454.025 5.804 50 10 JKGE CC1(C)CC2(CC([C@H](Br)c3cc(Br)sc3Br)C2)C1 2039422883 WBQVDXZWYZOBLR-NSHDSACASA-N 457.069 6.926 50 10 JKGE FC1(F)[C@@H]2COC[C@]21[C@@H](Br)c1c(Br)sc(Br)c1Cl 2043518088 CIUUSAQSYDGWIE-SGBSPZQDSA-N 487.385 5.644 50 10 JKGE Cc1c(Cl)cc(C(=O)N(Cc2ccccc2)[C@@H](CBr)C2CC2)cc1Br 2048495386 AZJBLTNSQDGUSQ-IBGZPJMESA-N 485.647 6.227 50 10 JKGE Fc1cc([C@H](Br)c2cc(Br)c(Cl)s2)c(F)cc1Br 2052449131 GQWWTLDGRICMLB-JTQLQIEISA-N 481.381 6.689 50 10 JKGE Cc1cc(Br)c(CBr)c(N(Cc2ccccc2)CC2CCOCC2)c1 2053212804 NMSWTJDKLUNUSF-UHFFFAOYSA-N 467.245 6.086 50 10 JKGE CC1(C)CC12CC([C@H](Br)c1c(Br)sc(Br)c1Cl)C2 2063993619 ISOJFYMIXNTIMZ-XAUYTDGJSA-N 477.487 7.189 50 10 JKGE CN(C[C@H]1C[C@@H](Br)C1)C(=O)c1ccc(Br)c(NC(=O)OC(C)(C)C)c1 2076212442 FJCOXHASDNQBSS-BJHJDKERSA-N 476.209 5.042 50 10 JKGE Cc1c(Br)sc([C@H](Br)[C@@]23CC[C@@H](C2)[C@H](C)O3)c1Br 2078504556 DQCLBKHXYXUUIV-NIUIZCCNSA-N 459.041 5.975 50 10 JKGE Cc1cc(Br)c(C)c([C@H](Cl)c2csc(Br)c2)c1Br 2081059739 JOBUMAWRDKNJJD-CYBMUJFWSA-N 473.455 6.981 50 10 JKGE CCOc1ccc([C@H](Cl)c2cc(Br)ccc2I)s1 2086383286 BDTSPJMXYZMTJO-CYBMUJFWSA-N 457.558 5.842 50 10 JKGE C[C@H](CCCCCI)NCc1ccc(I)c(Cl)c1 2086661591 NVAZBOIRCFUODT-LLVKDONJSA-N 491.582 5.418 50 10 JKGE Clc1cccc(Cl)c1C[C@@H](Br)c1c(Br)cccc1Br 2104777876 ORQAEYURVJYRRM-LLVKDONJSA-N 487.844 7.197 50 10 JKGE CCc1nc([C@H](Br)c2sc(COC)cc2Br)c(Br)s1 2113185567 RLLHKYANSLRXQI-VIFPVBQESA-N 490.080 5.923 50 10 JKGE Fc1cc(Br)cc(F)c1C[C@@H](Br)c1ccc(Br)cc1 2113494611 DMZKXEWUMSTJLA-GFCCVEGCSA-N 454.934 6.169 50 10 JKGE Cc1csc(CBr)c1S(=O)(=O)N(Cc1ccccc1)[C@H](C)c1cccs1 2123231881 JUQIZPPJANMGFM-OAHLLOKOSA-N 470.479 5.965 50 10 JKGE Cc1cc(Cl)c(Br)cc1[C@@H](Br)c1cc(Cl)cc(Br)c1 2137640798 AEVAJOPPZFEMOL-AWEZNQCLSA-N 487.844 7.311 50 10 JKGE Cc1cc([C@H](Br)c2cc(F)c(F)cc2Cl)ccc1I 2142141184 RUCUSODPFPZFLL-AWEZNQCLSA-N 457.483 6.016 50 10 JKGE COC[C@@H]1CC[C@H](Cc2ccc(I)c(Cl)c2)C[C@H]1Br 2142939642 ILYAADKDTNMXCL-KGYLQXTDSA-N 457.577 5.313 50 10 JKGE Clc1ccc([C@@H](CBr)Cc2ccc(I)c(Cl)c2)cc1 2142940412 NLYAFDFXPVYPQS-GFCCVEGCSA-N 469.975 6.319 50 10 JKGE O=C(NCc1ccc(CBr)cc1)c1cccc(Br)c1Br 2148768564 FZLTUTFGIXGLTM-UHFFFAOYSA-N 461.979 5.037 50 10 JKGE CCOc1ccc([C@H](Br)c2c(Br)sc(C)c2C)c(Br)c1 2157253012 WVCJCBDXIBIWDZ-AWEZNQCLSA-N 483.063 6.773 50 10 JKGE CN(C(=O)c1scc(Br)c1Br)C1(CBr)CC2(CCC2)C1 2164570336 JPMGRPMNPKJGMY-UHFFFAOYSA-N 486.067 5.443 50 10 JKGE BrCC(CBr)(C[C@@H]1C[C@H]2CC[C@H]1O2)c1ccccc1Br 2168068606 ARKFGNHVHSPILX-YWPYICTPSA-N 467.039 5.434 50 10 JKGE Cc1c(Br)sc([C@H](Br)c2ccccc2OCCF)c1Br 2189518743 STZQTOQGISABTK-GFCCVEGCSA-N 487.026 6.414 50 10 JKGE Fc1ccc([C@H](CI)OCc2cc(Cl)ccc2Br)cc1 2200749030 AUMKBAVBUAEGAB-HNNXBMFYSA-N 469.519 5.935 50 10 JKGE FC(F)(F)c1cc(Cl)cc([C@H](Br)c2cc(Cl)c(Br)s2)c1 2200838294 NGBMOIMCZUACOB-JTQLQIEISA-N 468.947 7.321 50 10 JKGE Cc1cc(Br)c(C)c([C@H](Br)c2cc3c(s2)CCC3)c1Br 2201071590 RPGREZGXWOFXSJ-MRXNPFEDSA-N 479.075 6.863 50 10 JKGE CCn1cc([C@@H](Cl)c2c(C)c(Br)cc(C)c2Br)nc1Br 2201076764 ZBAUWMGDBIURSV-CYBMUJFWSA-N 485.445 6.136 50 10 JKGE COc1cc(Cl)c([C@H](Br)c2c(Cl)cccc2Cl)cc1Br 2202345318 CLAORYMJYFNPPP-AWEZNQCLSA-N 459.392 6.902 50 10 JKGE FC1(F)CC[C@H](c2sc(Br)c(Br)c2Br)[C@@H]1Cl 2212200466 MUOFCFOBMQQUGZ-NFNCENRGSA-N 459.375 6.156 50 10 JKGE C[C@@H]([C@H](Br)c1c(Br)cc(Cl)c(Cl)c1Cl)S(C)(=O)=O 2217617079 CLRGELUAXFKGHA-NVNXEXLPSA-N 459.414 5.278 50 10 JKGE CCc1nc([C@@H](Br)c2sc(Br)c(C)c2C)c(Br)s1 2218786191 XCWDCAWRDPJPAH-MRVPVSSYSA-N 474.081 6.393 50 10 JKGE Cc1sc(Br)cc1[C@H](Br)Cc1ccc(Br)cc1Cl 2221698873 BGDRZNCRNOZIPS-LLVKDONJSA-N 473.455 6.914 50 10 JKGE COc1c(Br)cc(C)cc1[C@@H](Br)c1scc(Br)c1C 2226127708 YVLPPVCEHMCOHI-GFCCVEGCSA-N 469.036 6.383 50 10 JKGE CCCC(CCC)[C@H](Br)c1c(Br)cc(C)c(Br)c1C 2227350704 YCCAWTHJPYVJKU-INIZCTEOSA-N 455.072 7.481 50 10 JKGE Cc1cc(Br)c([C@H](Cl)c2cc(Br)oc2C)c(C)c1Br 2227353003 DVLQADDQBHSYJF-CQSZACIVSA-N 471.414 6.821 50 10 JKGE CCc1cc(Br)c([C@H](Br)Cc2ccc(Br)cc2Cl)s1 2229146643 ANNAFRNHRPIHTH-LLVKDONJSA-N 487.482 7.168 50 10 JKGE CCC[C@H](CC(C)C)[C@@H](Br)c1c(Br)cc(Cl)c(Cl)c1Cl 2232516779 MJZBDDQYSMIFHQ-NOZJJQNGSA-N 465.484 8.308 50 10 JKGE Fc1cc(Br)c(Br)cc1[C@@H](Cl)c1ccsc1C(F)(F)F 2233978009 XYXWEYGWLVXLFZ-JTQLQIEISA-N 452.492 6.759 50 10 JKGE CCc1nn(C)c([C@@H](Br)Cc2ccc(Br)cc2Cl)c1Br 2237449540 YJSVLWWGFONJHG-JTQLQIEISA-N 485.445 5.840 50 10 JKGE Cc1ccc(I)c([C@@H](Br)c2c(F)c(F)cc(F)c2F)c1 2241001954 RXADZJXTCBEXLB-GFCCVEGCSA-N 459.018 5.640 50 10 JKGE CCc1cc([C@@H](Br)c2ccc(I)cc2)sc1Br 2248015271 OTDPJTZUDAZXPL-LBPRGKRZSA-N 486.010 6.162 50 10 JKGE Clc1ccccc1[C@@H](Br)Cc1cc(Br)cc(Br)c1 2263514331 ABSIAVHLJUOBSH-ZDUSSCGKSA-N 453.399 6.544 50 10 JKGE Fc1cccc(I)c1[C@@H](Br)Cc1cc(Cl)cc(Cl)c1 2267649283 BBSAHFCVCDHJSB-NSHDSACASA-N 473.938 6.416 50 10 JKGE CCn1cc([C@H](Br)c2cc(Cl)cc(Br)c2OC)nc1Br 2279039986 HUGMZRUIOIEODM-LLVKDONJSA-N 487.417 5.574 50 10 JKGE CSc1cccc(NC(SCc2ccccc2Cl)=C(C#N)S(=O)(=O)c2ccccc2)c1 2297350123 XVISYUFHDLYOIY-UHFFFAOYSA-N 487.071 6.574 50 10 JKGE C[C@@H](CCBr)CCOCc1cc(I)ccc1Br 2302647113 QVBCWOBONUGOLM-JTQLQIEISA-N 475.990 5.382 50 10 JKGE COc1cc(C=C(C#N)C(=O)Nc2ccc(C)cc2)cc(Br)c1OCc1ccccc1F 2313567843 MDKVEIGSUIEUDS-UHFFFAOYSA-N 495.348 6.030 50 10 JKGE Fc1c(Cl)cccc1[C@H](Br)c1ccc(OCc2ccccc2)cc1Br 2314449913 UMHZXKRNLZYFAM-LJQANCHMSA-N 484.590 7.305 50 10 JKGE N#CC(=Cc1ccc(-c2cc(Cl)cc(Cl)c2)o1)C(=O)Nc1cc(Cl)ccc1Cl 2314571541 GWKBPRHYGNNQFR-UHFFFAOYSA-N 452.124 7.106 50 10 JKGE CCCCCCN1C(=O)C(=Cc2ccc(OCCCCC)c(OCC)c2)C(C)=C(C#N)C1=O 2314611508 WBQXTALUUBNRRS-UHFFFAOYSA-N 452.595 5.827 50 10 JKGE COc1cc(C=C(C#N)c2ccc(Cl)cc2)ccc1OC(=O)c1ccccc1CCc1ccccc1 2314720623 UYTWWTWORDBXOU-UHFFFAOYSA-N 493.990 7.417 50 10 JKGE Cn1cnc2sc([C@H](Br)c3sc(Cl)cc3I)cc21 2316604990 DODXHSURWPIJFP-VIFPVBQESA-N 473.586 5.439 50 10 JKGE CCCCOc1ccc(C=NNC(=O)c2ccc3nc(SC(C)C)[nH]c3c2)cc1OCC 2323607541 NCOWEDHZWQWHQC-UHFFFAOYSA-N 454.596 5.405 50 10 JKGE FC1(F)CC[C@](CBr)(Cc2ccc(I)c(Br)c2)C1 2325220821 JWZQARMVBLGLKR-LBPRGKRZSA-N 493.955 5.797 50 10 JKGE CC(=Cc1ccccc1Cl)C(=O)N[C@@H](Cc1ccccc1)C(=O)Nc1ccc(SC#N)cc1 2330493517 DNSHPZNBSBKVSL-DEOSSOPVSA-N 476.001 5.683 50 10 JKGE COc1ccc(-c2csc(C(C#N)=C(O)c3ccc(N4CCCC4)c([N+](=O)[O-])c3)n2)cc1OC 2331242846 RANPGFACRLBOOG-UHFFFAOYSA-N 478.530 5.286 50 10 JKGE COc1ccc(C)cc1-c1csc(C(C#N)=C(O)c2ccc3c(c2)C(=O)N(Cc2ccco2)C3=O)n1 2331324613 VZQCMCGQBUUGIK-UHFFFAOYSA-N 497.532 5.466 50 10 JKGE COc1cc(-c2csc(C(C#N)=C(O)[C@H]3CC(=O)N(Cc4ccccc4)C3)n2)c(OC)cc1Cl 2331376888 GSVLLNHTLMPTPN-INIZCTEOSA-N 495.988 5.322 50 10 JKGE COC(=O)c1ccc(C=CC(O)=C(C#N)c2nc(-c3cc(C)c(Cl)cc3OC)cs2)cc1 2331390063 DVQYRXWTOCRYQM-UHFFFAOYSA-N 466.946 6.073 50 10 JKGE Cc1ccc(C)c(-c2csc(C(C#N)=Cc3ccc(OCc4ccc(Cl)cc4)cc3)n2)c1 2331445745 IERTYZZMCNVAEF-UHFFFAOYSA-N 456.998 7.724 50 10 JKGE CCCOc1c(C=C(C#N)c2nc(-c3cc(Cl)c(OC)c(Cl)c3)cs2)cccc1OC 2331480266 BVFIRWQYRIIZFJ-UHFFFAOYSA-N 475.397 6.987 50 10 JKGE CC12CCC([C@@H](Br)c3ccc(OCc4ccccc4)cc3Br)(CC1)CO2 2336084623 VQFWZVWEPZEXFT-HWELCPFYSA-N 480.240 6.813 50 10 JKGE CCc1ccsc1[C@H](Br)c1c(Cl)cc(Br)c(F)c1Br 2337114201 OCFBDPUCAOQSDD-LLVKDONJSA-N 491.445 7.112 50 10 JKGE Clc1ccc(CN2CC3(CCC3)C[C@H]2CBr)cc1I 2337225400 LJFRSHLEBMMPGO-LBPRGKRZSA-N 454.577 5.084 50 10 JKGE CCCc1sc(Br)cc1[C@@H](Br)c1c(Br)nc(C)n1C 2338021572 UDKMHKFKGSBZBH-LLVKDONJSA-N 471.056 5.752 50 10 JKGE CCCc1sc(Br)cc1[C@@H](Cl)c1cccc(Br)c1Br 2338028543 WXKYXFUVWITYBH-AWEZNQCLSA-N 487.482 7.316 50 10 JKGE Clc1cc(I)c([C@H](Br)c2ccc3ccccc3c2)s1 2338558787 OTDUPCKAMFZKKB-CQSZACIVSA-N 463.565 6.644 50 10 JKGE COc1ccc(CC(=O)N(Cc2ccccc2)[C@@H](CBr)C2CC2)c(Br)c1 2338815851 AMPHGBPWYKYGCE-FQEVSTJZSA-N 481.228 5.203 50 10 JKGE COc1c(Br)cc(C)c([C@H](Br)c2ccoc2C)c1Br 2339650609 HVIGZUDDWCIUDN-GFCCVEGCSA-N 452.968 5.914 50 10 JKGE Cc1cc(Br)c(F)c(Br)c1[C@H](Br)C1CCC(F)CC1 2339653202 HBBUEGOWTDXCBS-SHVIVCPWSA-N 460.982 6.623 50 10 JKGE C[C@H](CCl)[C@H]1CCCCN1Cc1ccc(I)c(Br)c1 2349831003 RLYAYRXIJOQTEP-IAQYHMDHSA-N 456.593 5.283 50 10 JKGE CC1(C)CCCC[C@@]1(CCl)Cc1ccc(I)c(Br)c1 2349840396 NBGHUFVGEMIYDP-INIZCTEOSA-N 455.605 6.422 50 10 JKGE ClC[C@@]1(Cc2ccc(I)c(Br)c2)CCO[C@H]1C1CC1 2349841894 LLVDNHFTKHMRQJ-GJZGRUSLSA-N 455.561 5.020 50 10 JKGE COc1c(Br)cc(C)c([C@@H](Br)[C@H]2C[C@@H]3CC[C@H]2C3)c1Br 2365195440 BNNFGLLGMNUBLW-ZHPDPMBESA-N 467.039 6.401 50 10 JKGE Cc1cc(Br)c(F)c(Br)c1[C@H](Br)Cc1ccccc1F 2365216696 XAPPOQZOFYPLHL-SNVBAGLBSA-N 468.961 6.477 50 10 JKGE Cc1cc(Br)c(F)c(Br)c1[C@H](Cl)c1nn(C)c(Br)c1C 2365230757 JXUWKZXLFOCHRR-JTQLQIEISA-N 489.408 5.792 50 10 JKGE CC1(C)CC2(C1)CC(CCl)(Cc1ccc(I)c(Br)c1)C2 2377359635 IXVOCXZNSJAUPS-UHFFFAOYSA-N 467.616 6.422 50 10 JKGE FC(F)(F)CC1CCC([C@@H](Br)c2cc(Cl)c(Br)s2)CC1 2381981265 RONKZIAJIBJEDL-OIAXGBPSSA-N 454.577 7.359 50 10 JKGE CC(C)C[C@H](CBr)CN1CCN(C(=O)OC(C)(C)C)[C@H](C)C[C@H]1C(F)(F)F 2382180261 BVKVDAUZWYMYSS-OAGGEKHMSA-N 459.391 5.306 50 10 JKGE COc1cc(/C=N/NC(=O)c2cccc(F)c2)cc(Br)c1OCc1ccccc1Cl 2946219 ZAVMXCWWEXMUAP-RPPGKUMJSA-N 491.744 5.593 50 10 JKGE CCOC(=O)C(C)(C)Cc1ccc(SSc2ccc(CC(C)(C)C(=O)OCC)cc2)cc1 22063121 KMCIXBUBEZRPHL-UHFFFAOYSA-N 474.688 6.750 50 10 JKGE in-vitro CCCOc1ccc(-c2nn(-c3ccccc3)cc2/C=C(/C#N)C(=O)NCCCOC)cc1Cl 35447329 XZKHAWRYOBMUBM-HKWRFOASSA-N 478.980 5.041 50 10 JKGE C=CCOc1ccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)COc4ccccc4Cl)ccc32)cc1 38658128 RKDVYEDQAQFRAG-AREMUKBSSA-N 488.927 5.107 50 10 JKGE CCCCCCOc1ccc(/C=C(\C#N)C(=O)Nc2c(C(C)C)cccc2C(C)C)cc1OC 40853757 VDWDBBJDOUIEIK-HAVVHWLPSA-N 462.634 7.447 50 10 JKGE C=CCc1cc(/C=N\NC(=O)CC[C@H](O)c2ccccc2)cc(OCC)c1OCc1ccc(F)cc1 58892232 BWHFXSGILYTXFU-ZMIIAFDNSA-N 490.575 5.496 50 10 JKGE COc1cc(/C=N/NC(=O)CSc2c(Cl)c(Cl)c(Cl)c(Cl)c2Cl)ccc1O 59156664 WQGWLFFGNHCNGK-RREIPUBJSA-N 488.607 5.910 50 10 JKGE O=C1OC(=O)[C@H]2[C@H]1[C@]1(c3ccccc3)C(=O)[C@]2(c2ccccc2)C(c2ccccc2)=C1c1ccccc1 100078008 RRYGIAWZXXLJOD-MKXVLRRNSA-N 482.535 5.386 50 10 JKGE Cc1ccc(C)c(N2C(=O)C(=O)N(c3cc(C)ccc3C)P2(=O)N(CCCl)CCCl)c1 100372711 HVSKWLPWWAKLFP-UHFFFAOYSA-N 482.348 5.188 50 10 JKGE COc1cccc(-c2csc(/C(C#N)=C\Nc3cc4oc5ccccc5c4cc3OC)n2)c1 102418205 LXZHFNZSVCDMQN-VKAVYKQESA-N 453.523 6.703 50 10 JKGE CCOc1ccccc1N/C(SCc1cccc([N+](=O)[O-])c1)=C(\C#N)C(=O)NCc1cccs1 105422616 JACFSBFOZCMREI-GFMRDNFCSA-N 494.598 5.452 50 10 JKGE C[C@@H](CCBr)CCOc1c(Br)cc(Br)cc1Br 115234325 IVRQOANTGKFDKP-QMMMGPOBSA-N 493.859 6.164 50 10 JKGE CCn1nc(C)c(Br)c1C[C@H](CBr)c1cccc(Br)c1 118859345 IMSBAMFZBBAZHU-GFCCVEGCSA-N 465.027 5.458 50 10 JKGE Fc1cc(Br)cc(CC(CBr)(CBr)Cc2ccccc2)c1 125123323 RUPUBCIUOCORSG-UHFFFAOYSA-N 479.025 6.150 50 10 JKGE Cn1c(=O)oc2cc([C@@H](Br)c3cc(Br)c(Br)s3)ccc21 128558643 VFPOBTHPJJWTQP-LLVKDONJSA-N 481.991 5.202 50 10 JKGE Cc1ccc(Br)c([C@@H](Cl)c2cc(Br)c(C)cc2Br)c1 128625581 ZBXOQTBXRDZFFL-OAHLLOKOSA-N 467.426 6.919 50 10 JKGE Cc1cc(Br)c([C@@H](Br)[C@@H]2C[C@@H]2c2ccccc2)cc1Br 164446781 LGOOZKKIIXQIIQ-XNJGSVPQSA-N 459.019 6.760 50 10 JKGE CC1(C)C[C@@H](N=C=O)C[C@](C)(CNC(=O)NCCc2c[nH]c3cc(OCc4ccccc4)ccc23)C1 170291097 JBKBSZLPZIHZRI-BTYSJIOQSA-N 488.632 5.509 50 10 JKGE COc1ccc(C)cc1[C@H](Br)c1cc(I)ccc1Br 234834766 IBYGJTKRJVZXMB-OAHLLOKOSA-N 495.980 5.855 50 10 JKGE Fc1cccc(F)c1C[C@H](Cl)c1cc(Br)ccc1I 236190703 KIPVJRVTTIVRFX-NSHDSACASA-N 457.483 5.855 50 10 JKGE O=C(/C=C/c1ccccc1)Oc1ccccc1C=NNC(=O)c1ccc(NC(=O)c2ccccc2)cc1 254814560 GLOKHUDQTSNZNY-BTBPVQDQSA-N 489.531 5.322 50 10 JKGE Br[C@@H](c1cc2c(s1)CCC2)c1cc(I)cc2c1OCC2 383200652 FBIBCFVCPMSUCJ-OAHLLOKOSA-N 461.162 5.261 50 10 JKGE Cc1oc(Br)cc1[C@H](Br)c1cc(Cl)c(Br)cc1F 396471619 OSCLXUXFKZIEOX-LBPRGKRZSA-N 461.350 6.390 50 10 JKGE 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 504656742 KBSDBYDTKXUZDW-LSLBVOSMSA-N 493.614 8.686 50 10 JKGE Cc1nn(-c2ccccc2)c2sc(C(=O)NN=C/C=C3\N(C)c4ccccc4C3(C)C)cc12 606347237 ZOKWXDRDOGZXDF-MJZYPINLSA-N 455.587 5.423 50 10 JKGE BrCC(CBr)(Cc1coc(Br)c1)C1CCCCCC1 696818425 UNHJKQQOCOQTED-UHFFFAOYSA-N 457.044 6.331 50 10 JKGE BrCc1cc(Br)cc(Br)c1OCCOC1CCCC1 701338502 VPEMNAOOOPUFCM-UHFFFAOYSA-N 457.000 5.445 50 10 JKGE Cc1cc([C@H](Cl)c2ccc(I)c(Br)c2)c(C)cc1F 721606657 AISHWOXHUCVUQB-OAHLLOKOSA-N 453.520 6.138 50 10 JKGE CO[C@H](C(=O)NN=Cc1c(Br)c(C)n(-c2cc(C)cc(C)c2)c1C)c1ccccc1 1083942713 NLEGFIUAUZJNER-QHCPKHFHSA-N 468.395 5.311 50 10 JKGE CC1=CC(C=NNC(=O)CC[C@@H](O)c2ccccc2)=C(C)[C@H]1c1ccc(OCc2ccccc2)cc1 1084072863 IRNRIQQPEMIKLQ-VEEOACQBSA-N 480.608 6.241 50 10 JKGE N#C/C(=C/c1cc(Cl)ccc1OCc1cccc(Cl)c1)C(=O)Nc1cccc(C(F)(F)F)c1 1084210676 JEHIYRYHMZIROC-YVLHZVERSA-N 491.296 7.137 50 10 JKGE Cc1cc(C=NNC(=O)[C@@H](C)SCc2ccccc2)c(C)n1-c1cccc(Br)c1 1084496918 MGTDFJHCCKNSQE-GOSISDBHSA-N 470.436 5.629 50 10 JKGE C#CCOc1ccc(/C=C(\C#N)C(=O)Nc2cccc(Cl)c2Cl)cc1Br 1084506310 GMXXNHUXSHFWEB-UKTHLTGXSA-N 450.119 5.314 50 10 JKGE O=[N+]([O-])c1ccc(-n2nc(-c3cc(C(F)(F)F)cc(C(F)(F)F)c3)cc2CCl)c([N+](=O)[O-])c1 1614818917 UQCQGAWDACBNJE-UHFFFAOYSA-N 494.735 6.132 50 10 JKGE Cc1cc(OC(=O)c2oc3c(c2C)C(=NNC(=O)c2ccc(Cl)cc2)CCC3)ccc1Cl 1772743697 JJFPCTQIMLKZMZ-UHFFFAOYSA-N 471.340 5.893 50 10 JKGE COc1cc(C=NNC(=O)COc2ccc(C(C)C)c(C)c2)ccc1OCc1ccc(C)cc1 1772754479 IHPGDSCFEQMMAB-UHFFFAOYSA-N 460.574 5.544 50 10 JKGE CCOc1cc([C@H]2C(C#N)=C(N)Oc3c2c(-c2ccccc2)nn3Cc2ccc(C)cc2)ccc1O 1865681829 YCAFMWXCDUOPNV-VWLOTQADSA-N 478.552 5.229 50 10 JKGE N#CC1=C(N)Oc2c(c(-c3ccccc3)nn2Cc2cccc(F)c2)[C@H]1c1ccccc1Cl 1865685190 GTPMMCNBDXRRDJ-QFIPXVFZSA-N 456.908 5.609 50 10 JKGE N#CC1=C(N)Oc2c(c(C(F)(F)F)nn2Cc2cccc(F)c2)[C@H]1c1c(F)cccc1Cl 1865685800 MZWZRKJOEODNJN-OAHLLOKOSA-N 466.797 5.100 50 10 JKGE CCCc1nn(Cc2cccc(F)c2)c2c1[C@H](c1ccc(Cl)c(Cl)c1)C(C#N)=C(N)O2 1865686327 UUUVUUXEBBLUCY-HXUWFJFHSA-N 457.336 5.548 50 10 JKGE CCCOc1c(OC)cccc1[C@@H]1C(C#N)=C(N)Oc2c1c(CCC)nn2-c1ccccc1Cl 1865692096 AOEDBDHNZHVCCI-JOCHJYFZSA-N 478.980 5.494 50 10 JKGE CCOc1c(OC)cccc1[C@H]1C(C#N)=C(N)Oc2c1c(CC)nn2-c1ccc(Cl)c(Cl)c1 1865693003 KMZPJMNATDZVFR-FQEVSTJZSA-N 485.371 5.367 50 10 JKGE CCCCCOc1ccc([C@@H]2C(C#N)=C(N)Oc3c2c(C(F)(F)F)nn3-c2ccccc2)cc1OC 1865695175 LVQSOMZJJZPMOR-OAQYLSRUSA-N 498.505 5.687 50 10 JKGE Cc1ccc(-n2nc(-c3ccccc3)c3c2OC(N)=C(C#N)[C@H]3c2cc(Br)ccc2O)cc1 1865695626 FGBRMUGSPWXVAE-JOCHJYFZSA-N 499.368 5.534 50 10 JKGE COc1ccc(/C=C(\C(=O)NNC(=O)c2ccc(-c3ccc(OC)cc3)nc2C)c2ccccc2)cc1 1865757031 KAFRKKIMIONRHN-DIBXZPPDSA-N 493.563 5.076 50 10 JKGE COc1cc(OC)c(OC)cc1/C=C1\Oc2cc(OCc3ccc(CCl)cc3)ccc2C1=O 1871436825 RQRIXRRXIMPYKL-GATIEOLUSA-N 466.917 5.646 50 10 JKGE COc1ccc(/C=C2\Oc3c(ccc(OCc4cccc(CCl)c4)c3C)C2=O)cc1OC 1871437376 UPXGSNMTFFXPMI-CFRMEGHHSA-N 450.918 5.946 50 10 JKGE CCc1cccc(C)c1N1C[C@@H](/C(O)=C(\C#N)c2nc(-c3ccc(Cl)cc3Cl)cs2)CC1=O 1872744757 GYHUAGOJMDDBMV-WGCOJADFSA-N 498.435 6.834 50 10 JKGE COc1ccc(/C=C/C(O)=C(\C#N)c2nc(-c3ccc(OC)c(OC)c3)cs2)cc1OC 1872745530 RJZQLLGDJPVLQQ-HNOCDQNRSA-N 450.516 5.351 50 10 JKGE COc1ccc(/C=C(C(/O)=C(\C#N)c2nc(-c3cccc4ccccc34)cs2)\c2ccccc2)cc1 1872752337 XVWMRUHWZWCUDY-CDTUWOALSA-N 486.596 8.005 50 10 JKGE COc1ccc(Cl)cc1N1C[C@H](/C(O)=C(\C#N)c2nc(-c3ccc4c(c3)OCO4)cs2)CC1=O 1872752665 NHZLINSBBJFIJV-QCLUAIMQSA-N 495.944 5.047 50 10 JKGE Cc1cc(C)c(C)c(-c2csc(/C(C#N)=C(\O)[C@H]3CC(=O)N(Cc4ccccc4)C3)n2)c1C 1872754065 ATUTYHYPEOOJCB-OUJYPELJSA-N 457.599 5.885 50 10 JKGE COc1c(Cl)cc(Cl)cc1-c1csc(/C(C#N)=C(\O)CNC(=O)c2ccc(Cl)cc2)n1 1872754073 BATMIMJMOQTSNI-SDXDJHTJSA-N 494.787 6.002 50 10 JKGE COc1c(C)cc(C)cc1-c1csc(/C(C#N)=C(O)/C=C/c2ccc(OCc3ccccc3)cc2)n1 1872755139 ZYBXVBIAXODMII-ZTRLJESTSA-N 494.616 7.521 50 10 JKGE COc1cc(/C=C(\C#N)c2nc(-c3cc(Cl)c(OC)c(Cl)c3)cs2)cc(OC)c1OC 1872794796 XCVVVNRDMFSWDT-LHHJGKSTSA-N 477.369 6.215 50 10 JKGE N#C/C(=C(/O)c1ccccc1C(=O)c1ccccc1)c1nc(-c2cccc([N+](=O)[O-])c2)cs1 1873940708 DFGXKPXQSHLRKU-FLFQWRMESA-N 453.479 5.899 50 10 JKGE C[C@@H](CCCl)N(Cc1ccccc1)C(=O)c1cc(Br)ccc1Br 1915091944 DJTSBGMXJBSYKX-ZDUSSCGKSA-N 459.609 5.871 50 10 JKGE Cc1c(Br)sc([C@@H](Br)c2ccc3ccccc3c2)c1Br 1922880362 DJADEFIAGHOMGA-AWEZNQCLSA-N 475.043 7.219 50 10 JKGE Cc1c(Br)sc([C@H](Br)Cc2c(F)cccc2F)c1Br 1922900251 HNUSLEUGDQLQTB-MRVPVSSYSA-N 474.990 6.538 50 10 JKGE CCC(CC)([C@@H](Br)c1sc(Br)c(C)c1Br)C(F)(F)F 1922907404 UBMHVORTHATECC-VIFPVBQESA-N 487.017 7.386 50 10 JKGE Brc1ccc([C@@H](Br)c2sc(Br)cc2Br)cc1 1922928854 DDLQXOAGTTXJQB-SNVBAGLBSA-N 489.852 6.520 50 10 JKGE CC1(C)CCCC[C@@H]1[C@@H](Br)c1c(Br)sc(Br)c1Cl 1923037914 GPFVPCMZICIDKN-VXNVDRBHSA-N 479.503 7.579 50 10 JKGE Cc1ccc(F)c([C@@H](Br)c2c(Br)sc(Br)c2Cl)c1F 1923067967 LATRVPCBSADNDO-MRVPVSSYSA-N 495.408 6.997 50 10 JKGE F[C@@H]1CCC[C@H]([C@H](Cl)c2c(Br)sc(Br)c2Br)C1 1924570901 NDORAQWQMFGGGO-MYINAIGISA-N 469.439 6.844 50 10 JKGE Cc1ccnc(COc2c(Br)cc(Br)cc2CCl)c1Br 1927019755 NNSURXILJOIMFX-UHFFFAOYSA-N 484.413 5.995 50 10 JKGE CCn1ncc(Br)c1[C@@H](Br)c1sc(Cl)cc1Br 1948822343 CMGLLMBPKIXXRB-MRVPVSSYSA-N 463.420 5.627 50 10 JKGE COc1ccc([C@@H](Br)c2cscc2OCc2ccccc2)cc1Br 1950318779 AAAKGNFPYVTYSP-LJQANCHMSA-N 468.210 6.583 50 10 JKGE CC(C)(C)OC(=O)N1CCN(CC2(CBr)CCCCC2)CCN1C(=O)OC(C)(C)C 1977962717 MGJLKALSDVWXOS-UHFFFAOYSA-N 490.483 5.037 50 10 JKGE Brc1cc(NCC2CC(Br)C2)cc(Br)c1Br 1991472234 BWGZTQYTSJATQN-UHFFFAOYSA-N 476.832 5.560 50 10 JKGE FC(F)(F)c1csc([C@H](Br)[C@H]2C[C@H](Br)C2)c1Br 2020158131 WTBWHKWUUCLDQR-WYDQCIBASA-N 456.947 6.139 50 10 JKGE COCc1cc(Br)c([C@H](Br)c2nc(C)sc2Br)s1 2050332452 AAGZKXDPXRSBTP-MRVPVSSYSA-N 476.053 5.669 50 10 JKGE Cc1cc(Cn2nc(CCl)c(I)c2C(F)(F)F)cc(C(F)(F)F)c1 2079207489 GRLLYNAGPBSSAC-UHFFFAOYSA-N 482.593 5.621 50 10 JKGE O=C(c1cc(Br)c(Br)s1)N1CCC[C@H](CCBr)CC1 2093313054 AZCGGNGVPGSCAH-SECBINFHSA-N 474.056 5.300 50 10 JKGE O=C(N[C@H]1CCCC[C@@H]1CCBr)c1csc(Br)c1Br 2093942568 VJNSWBKAXIWGOO-SCZZXKLOSA-N 474.056 5.347 50 10 JKGE C[C@H](COCc1ccccc1)Cn1c([C@H](C)Cl)nc2cc(Br)c(Cl)cc21 2103814927 IPEVBACRTWMJKO-KBPBESRZSA-N 456.211 6.605 50 10 JKGE Cc1cc([C@@H](Br)c2scc(C(F)(F)F)c2Br)sc1Cl 2109073378 QNSJAABGURGETN-MRVPVSSYSA-N 454.558 7.037 50 10 JKGE Cc1cc(Br)c(CBr)c(N2C[C@@H]3CN(Cc4ccccc4)CC[C@H]3C2)c1 2116806810 UATOLSYUBRZYNX-OALUTQOASA-N 478.272 5.611 50 10 JKGE COC1(C(F)(F)F)CC([C@@H](Br)c2sc(Br)cc2Br)C1 2125550935 FAIIIRYKDDRRJW-FDRLMODASA-N 486.973 6.067 50 10 JKGE COc1cc(Br)ccc1[C@@H](Cl)c1ccc(Br)cc1Br 2138862357 JPFRKMAZEABKIA-AWEZNQCLSA-N 469.398 6.311 50 10 JKGE FC1(F)CCC[C@@H]1CCOc1c(Br)cc(CBr)cc1Br 2144194884 CYANSCJZKVKEJI-SNVBAGLBSA-N 476.981 6.311 50 10 JKGE FC(F)(F)C(F)(F)CC(CBr)(CBr)c1cccc(Br)c1 2145888173 YJIQHIRFLVYNKB-UHFFFAOYSA-N 488.914 6.064 50 10 JKGE CC(C)CO[C@H](C)CC(CBr)(CBr)c1cccc(Br)c1 2165513612 MAHBFZWKSWXMMW-CYBMUJFWSA-N 471.071 5.928 50 10 JKGE Cc1cc(Br)c(C)c([C@@H](Br)[C@@H](CC(C)C)C(C)C)c1Br 2201063214 CGAYHTCEQPOCGS-GUYCJALGSA-N 469.099 7.583 50 10 JKGE COc1cc(Br)c(C)cc1[C@H](Cl)c1ccc(I)c(C)c1 2207110756 JZDJQSZGDRWRQZ-MRXNPFEDSA-N 465.556 6.007 50 10 JKGE Cc1sc(Br)c(C)c1[C@H](Br)c1scc(Br)c1C 2213766807 ADPWVEZPLGCQEV-JTQLQIEISA-N 459.066 6.744 50 10 JKGE Cc1ccc(I)c([C@@H](Br)c2ccc(Br)cc2)c1 2217421215 RXSFBJIDEVGTAR-AWEZNQCLSA-N 465.954 5.846 50 10 JKGE Cc1ccc([C@H](Cl)c2c(Br)sc(C)c2C)cc1I 2217865743 XWUVITJQHFNWAW-ZDUSSCGKSA-N 455.586 6.369 50 10 JKGE COc1cc(Br)c([C@@H](Br)c2sncc2Br)cc1C 2220441768 INXQTBJEZYYTQB-LLVKDONJSA-N 455.997 5.469 50 10 JKGE Clc1cc(Br)c([C@H](Cl)c2ccc(Br)cc2)c(Cl)c1Cl 2224316621 GCGALTIRARQNEO-LLVKDONJSA-N 463.811 7.500 50 10 JKGE Fc1cc(Br)c(Br)cc1[C@H](Br)[C@@H]1OC[C@@H]2CCC[C@H]21 2225620315 TUEKKZLVCMNVMI-DBPJKEEXSA-N 456.975 5.602 50 10 JKGE CCC[C@@H](CC(C)C)[C@H](Br)c1cc(Br)c(Br)cc1F 2225633465 JYMJMASPDFYGBI-BONVTDFDSA-N 459.035 7.249 50 10 JKGE CCC1([C@@H](Br)c2c(Br)cc(C)c(Br)c2C)CCCC1 2227349036 QJVXFROQAZWDJO-HNNXBMFYSA-N 453.056 7.235 50 10 JKGE C[C@@]12CC[C@@]([C@H](Br)c3c(Br)cc(Cl)c(Cl)c3Cl)(CO1)C2 2232515095 YRGWZVSDHHHCOT-RDBSUJKOSA-N 463.424 6.805 50 10 JKGE Clc1ccc(I)c(CN2C[C@H]3CCCC[C@]3(CBr)C2)c1 2238826131 FYMHDCPZXOPDNR-CJNGLKHVSA-N 468.604 5.332 50 10 JKGE CCc1cc([C@@H](Br)c2sc(C)cc2Br)sc1Br 2248001629 CLPVTASYUZQGRW-SNVBAGLBSA-N 459.066 6.690 50 10 JKGE CC(C)[C@@H]1CCC[C@H]1[C@H](Br)Cc1cc(Br)cc(Br)c1 2277947384 HPFNRMGVTBCRQL-ARFHVFGLSA-N 453.056 6.590 50 10 JKGE Cc1cc(OCc2ccc(I)c(Cl)c2)cc(C)c1CBr 2282784373 NECSYUPCZWCOMX-UHFFFAOYSA-N 465.556 6.035 50 10 JKGE FC(F)(F)c1csc([C@H](Cl)c2cccc(Cl)c2Br)c1Br 2283197031 COWMYPMVAWFSPF-SNVBAGLBSA-N 468.947 7.274 50 10 JKGE COc1c([C@@H](Br)c2sc(C)cc2Br)cc(Br)c(C)c1C 2284522384 HUNONFDPESRXSO-CYBMUJFWSA-N 483.063 6.691 50 10 JKGE COc1c([C@H](Br)c2cn(C)nc2Br)cc(Br)c(C)c1C 2284526779 WPBBZIXBCJAMAJ-LBPRGKRZSA-N 466.999 5.055 50 10 JKGE Cc1cc(Br)ccc1[C@H](Cl)c1c(F)cc(Br)c(F)c1Br 2288355228 ORFBWNZOCGWUTB-ZDUSSCGKSA-N 489.379 6.889 50 10 JKGE COc1ccc(CNC(=O)C(C#N)=Cc2ccc(Oc3ccc(C(F)(F)F)cc3[N+](=O)[O-])cc2)cc1 2294187351 DLJLGMIIXPXYTA-UHFFFAOYSA-N 497.429 5.638 50 10 JKGE COc1cc(C)c(Cl)cc1[C@H](Br)c1cc(Cl)ccc1I 2295379072 WTSQZZRTGZFTJZ-OAHLLOKOSA-N 485.974 6.399 50 10 JKGE Cc1cc(Br)c(F)c([C@@H](Cl)c2cc3sc(Br)cc3s2)c1 2295506048 IPJMYFJESFZZKM-CYBMUJFWSA-N 454.611 7.264 50 10 JKGE Cc1ccc(NC(=O)C(C#N)=C2S[C@H](Cc3ccccc3Cl)C(=O)N2c2ccccc2C)cc1 2296055618 ICNRSZRZGCHKME-XMMPIXPASA-N 488.012 6.022 50 10 JKGE N#CC(C(N)=O)=C1SC=C(c2ccc(-c3cc(Cl)ccc3Cl)o2)N1c1ccccc1 2296819196 UMLIXAXAUYLYKY-UHFFFAOYSA-N 454.338 6.026 50 10 JKGE N#CC(=Cc1ccc(OC(=O)c2ccc(Br)cc2)cc1)C(=O)Nc1ccc([N+](=O)[O-])cc1 2297504937 HMRCBGAUMUYYJA-UHFFFAOYSA-N 492.285 5.122 50 10 JKGE N#CC(=Cc1ccc(OC(=O)c2ccccc2)cc1)C(=O)Nc1ccc([N+](=O)[O-])cc1Br 2297551548 QVQPABMGTLBQQU-UHFFFAOYSA-N 492.285 5.122 50 10 JKGE Cc1ccc(NC(=O)C(C#N)=Cc2cc(Br)c(Sc3ccc(Cl)cc3)o2)c(C)c1 2313543586 PVIGKWHGOVAUQI-UHFFFAOYSA-N 487.806 7.009 50 10 JKGE COc1cc(C=C(C#N)C(=O)Nc2cc(Cl)ccc2C)ccc1OCc1cccc(F)c1 2313670832 ZLYUADNJHOYNKE-UHFFFAOYSA-N 450.897 5.921 50 10 JKGE N#CC(=Cc1ccc(-c2cccc(Cl)c2)o1)C(=O)Nc1cc(C(F)(F)F)cc(C(F)(F)F)c1 2314572138 UEGPEAOOOUONEQ-UHFFFAOYSA-N 484.783 7.183 50 10 JKGE CC1=C(C#N)C(=O)N(Cc2ccco2)C(=O)C1=Cc1ccc(OCc2ccccc2Cl)cc1 2314618635 QTTHZERGSMEPKJ-UHFFFAOYSA-N 458.901 5.304 50 10 JKGE COC[C@@H]1C[C@H]1[C@H](Br)c1c(Cl)cc(Br)c(F)c1Br 2315447842 SPBAXEIJTINGED-ZTNVNUCQSA-N 465.382 5.723 50 10 JKGE COc1ccc(C(C#N)=Cc2ccc(OC(=O)c3cccc(Br)c3)c(OC)c2)cc1OC 2320506967 VRNFMFMLJCBXSU-UHFFFAOYSA-N 494.341 5.758 50 10 JKGE Cc1ccc(-c2ccc(C(=O)NNC(=O)C=Cc3ccc(OCc4ccccc4)cc3)c(C)n2)cc1C 2321103620 JZYLTLBKGVTILE-UHFFFAOYSA-N 491.591 5.727 50 10 JKGE Clc1cc(Br)c(COc2ccc(CBr)cc2Br)s1 2322454982 WCYZTHGWXUBIEO-UHFFFAOYSA-N 475.427 6.400 50 10 JKGE CCOc1cc(C=NNC(=O)c2ccc(C)cc2)ccc1OCc1ccc(Cl)c(Cl)c1 2323075913 OBOCVLHYFSAGPS-UHFFFAOYSA-N 457.357 6.043 50 10 JKGE COc1ccc(-c2csc(C(C#N)=C(O)CCCOc3ccc(C(C)(C)C)cc3)n2)cc1OC 2331242549 NICLGBPABWVZLF-UHFFFAOYSA-N 478.614 6.777 50 10 JKGE CC[C@H](C)N1C(=O)c2ccc(C(O)=C(C#N)c3nc(-c4ccccc4OC)cs3)cc2C1=O 2331281995 RAGWMHRLMOAPFQ-AWEZNQCLSA-N 459.527 5.163 50 10 JKGE C=CCOc1ccccc1OCC(O)=C(C#N)c1nc(-c2ccc(Cl)c(Cl)c2)cs1 2331311727 RPAJGDSAIISTFU-UHFFFAOYSA-N 459.354 6.553 50 10 JKGE N#CC(=C(O)C=Cc1ccc(OCc2ccccc2Cl)cc1)c1nc(-c2cccs2)cs1 2331326857 WMBSROMFRXBOEW-UHFFFAOYSA-N 477.010 7.610 50 10 JKGE CCCCCCCOc1ccc(-c2csc(C(C#N)=C(O)C=Cc3cccc(Cl)c3)n2)cc1 2331345288 BYNSBMKYGVSCIS-UHFFFAOYSA-N 479.045 8.319 50 10 JKGE CCOc1ccc(OCC)c(-c2csc(C(C#N)=C(O)c3ccc(Cl)c([N+](=O)[O-])c3)n2)c1 2331376721 MDWVKCFVBXHNAA-UHFFFAOYSA-N 471.922 6.119 50 10 JKGE COc1cc(OC)c(-c2csc(C(C#N)=C(O)C=Cc3cccc(Cl)c3)n2)cc1Cl 2331378623 ISXXIFWGAQYJDN-UHFFFAOYSA-N 459.354 6.640 50 10 JKGE CCOc1cc(C=C(C#N)c2nc(-c3ccc(F)cc3F)cs2)ccc1OCC(=O)N(CC)CC 2331437742 KCPSSRFFXYGJSD-UHFFFAOYSA-N 497.567 5.798 50 10 JKGE CCOc1cc(C=C(C#N)c2nc(-c3ccc(C)cc3)cs2)ccc1OCc1ccccc1 2331444230 ZYSXOTSKOIQJLT-UHFFFAOYSA-N 452.579 7.160 50 10 JKGE CCOc1cc(C=C(C#N)c2nc(-c3ccc(Cl)s3)cs2)ccc1OCc1ccccc1 2331484979 HCHBPRYNHVQLLH-UHFFFAOYSA-N 479.026 7.567 50 10 JKGE CO[C@@H]1C[C@]2([C@@H](Br)c3c(Cl)cc(Br)c(F)c3Br)C[C@@H]12 2337085015 SNPDZUQWULCYLY-BUHBCEKZSA-N 477.393 5.865 50 10 JKGE Fc1c(Br)cc(Cl)c([C@@H](Br)[C@@H]2CCC[C@@H]3C[C@@H]32)c1Br 2337094225 MXQCHWLWONHYDL-GYAIJENASA-N 475.421 6.876 50 10 JKGE Clc1ccc(C[C@@]2(CBr)CCO[C@@H]2C2CC2)cc1I 2337224921 FZBDFDBUYXDOCF-HUUCEWRRSA-N 455.561 5.067 50 10 JKGE COc1cc([C@H](Br)c2cnsc2Br)c(OC)cc1Br 2337303657 KEFGDYNPUXWGPJ-NSHDSACASA-N 471.996 5.170 50 10 JKGE Cc1cc([C@H](Br)c2c(Br)c(Br)nn2C)cc(C)c1F 2338722878 RHRSGDCOMGWASN-VIFPVBQESA-N 454.963 5.185 50 10 JKGE Cc1cc(Br)c(F)c(Br)c1[C@@H](Br)C1CC(C(C)C)C1 2339653078 FXJHBMDKZFWWOF-ZPPKWKGLSA-N 457.019 6.777 50 10 JKGE Cc1cc(Br)c([C@@H](Br)[C@H]2CCC[C@@H](C)O2)c(C)c1Br 2341254955 ITGWNSBYEPOFSY-BCQZVRRWSA-N 455.028 6.222 50 10 JKGE CC[C@H]1CN(C[C@@](C)(CBr)C(C)(C)C)[C@H](CC)CN1C(=O)OCc1ccccc1 2352073105 RCDJSNOUTPMIRF-ZFGGDYGUSA-N 467.492 5.945 50 10 JKGE CC(C)Cc1ccccc1[C@H](Br)c1cc(Br)ccc1OCc1ccccc1 2361193814 COJMGCKEHBIEHX-DEOSSOPVSA-N 488.263 7.711 50 10 JKGE COc1cc(Cl)c(CBr)c(N2CCC(CN(C)Cc3ccccc3)CC2)c1 2365803129 KVNOTXFUDSQURS-UHFFFAOYSA-N 451.836 5.592 50 10 JKGE Cc1cc([C@@H](Br)CCc2cc(Cl)cc(Cl)c2)ccc1I 2366900937 ZTMGASFVZWLZOV-HNNXBMFYSA-N 484.002 6.975 50 10 JKGE ClCC1(NCc2ccc(I)c(Br)c2)CCCCCCC1 2377339361 FVRBWYPSKOFWDX-UHFFFAOYSA-N 470.620 5.865 50 10 JKGE COc1cccc([C@@H](Br)CCc2cc(I)ccc2Cl)c1 2380531133 LHKYNUBFPOHLHH-HNNXBMFYSA-N 465.556 6.022 50 10 JKGE C[C@]1(NC(=O)c2cc(Br)sc2Br)C[C@H]2CC[C@H]1C[C@@H]2Br 2380907704 BFRCXTMDFAYTKT-FTLVTPIGSA-N 486.067 5.345 50 10 JKGE CCc1cc(Br)c(OC)c([C@@H](Br)c2ccc(Br)cc2)c1 2381250932 AXOCWDUGFDTGIS-HNNXBMFYSA-N 463.007 6.267 50 10 JKGE N#C/C(=C/c1ccc(-c2ccc([N+](=O)[O-])cc2Cl)o1)C(=O)Nc1ccc(Br)cc1F 867475 KSGYEWPHCBATMR-XFFZJAGNSA-N 490.672 5.955 50 10 JKGE CCOC(=O)c1c(NC(=O)/C(C#N)=C/c2ccccc2)sc(C)c1-c1ccc(Cl)cc1 1974852 XBGJUNQORHIGOG-QGOAFFKASA-N 450.947 6.099 50 10 JKGE Cc1ccc(-c2csc(/C(C#N)=C\c3ccc(OCC(=O)c4cccc([N+](=O)[O-])c4)cc3)n2)cc1C 33470794 DWYOTIZFGBYXJF-QRVIBDJDSA-N 495.560 6.661 50 10 JKGE CCOC(=O)c1c(NC(=O)/C(C#N)=C/c2ccc(-c3cc(Cl)cc(Cl)c3)o2)sc(C)c1C 33567663 OFEOWFNKBJABBW-OQLLNIDSSA-N 489.380 6.654 50 10 JKGE COc1cccc(N2C(=O)CS[C@@H]2c2cccc(NC(=O)[C@@H](Cl)c3ccccc3)c2)c1 35927252 JVQDAZGXELNIPF-LADGPHEKSA-N 452.963 5.392 50 10 JKGE CC(C)(C)c1ccc(N2C(=O)CS[C@@H]2c2cccc(NC(=O)[C@H](Cl)c3ccccc3)c2)cc1 35928195 HSXGKDKBXAODGD-AOYPEHQESA-N 479.045 6.681 50 10 JKGE CCCCCOc1ccccc1[C@H]1C(C#N)=C(N)Oc2cc(OC(=O)COc3ccccc3C)ccc21 38686051 YCEXNUYUSVNCKG-GDLZYMKVSA-N 498.579 5.767 50 10 JKGE CCOc1cccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4oc5ccc(F)cc5c4C)ccc32)c1 38701223 ZLIZGAVADOMVKF-VWLOTQADSA-N 484.483 5.716 50 10 JKGE COc1cccc(C(=O)N/N=C2\CCCc3oc(C(=O)Nc4ccc(Cl)cc4Cl)c(C)c32)c1 40822147 QCYCRVISYIQINH-TURZUDJPSA-N 486.355 5.626 50 10 JKGE Cc1cc(Cl)ccc1OCC(=O)N/N=C/c1cc(Br)ccc1OCc1ccccc1 40912349 QHYMPDUHXFDABS-LGJNPRDNSA-N 487.781 5.519 50 10 JKGE Cc1ccc(COc2ccc(Br)cc2/C=C(/C#N)C(=O)Nc2ccc(C)cc2)cc1 59335791 UXJPOVACLVQKDF-BKUYFWCQSA-N 461.359 6.191 50 10 JKGE Cc1ccc(N2C(=O)[C@@H](Cc3ccc(Cl)cc3)S/C2=C(/C#N)C(=O)Nc2ccccc2)cc1C 101244834 VJMLWRPBYKHPFH-NLTRVXJZSA-N 488.012 6.022 50 10 JKGE CCc1ccc(N2C(=O)[C@H](Cc3cccc(C)c3)S/C2=C(/C#N)C(=O)Nc2ccccc2C)cc1 101244901 MUOZBCCPAGJXDN-IYQUHZLLSA-N 481.621 5.931 50 10 JKGE COC(=O)c1c(NC(=O)/C(C#N)=C\c2ccc(-c3ccc([N+](=O)[O-])cc3Cl)o2)sc(C)c1C 102972278 TWEQVPMZQGMVRB-JYRVWZFOSA-N 485.905 5.519 50 10 JKGE Clc1ccc([C@@H](Br)c2cc(Br)ccc2Br)c(Cl)c1 109844337 WUBMBVSAXFJNEU-CYBMUJFWSA-N 473.817 7.003 50 10 JKGE ClCCN(CCCl)c1ccc(Oc2ccc(Nc3ccnc4ccccc34)cc2)cc1 111464828 FQTNPFCHUUDIOJ-UHFFFAOYSA-N 452.385 7.055 50 10 JKGE Cc1ccc(C(CBr)(CBr)Cc2ccc(F)cc2Br)cc1 118876807 DDFBEZMRPRWJNR-UHFFFAOYSA-N 479.025 6.167 50 10 JKGE COc1c(C)cc(Br)c(C)c1[C@H](Br)c1cc(Cl)cc(Cl)c1 125718667 KFVYSRCYCJHLQL-OAHLLOKOSA-N 453.001 6.866 50 10 JKGE CC(C)(c1ccccc1)c1ccc2c(c1)[PH](=O)c1cc(C(C)(C)c3ccccc3)ccc1N2 225476696 KDKSBJHXMIPCBS-UHFFFAOYSA-N 451.550 6.906 50 10 JKGE C[C@@H]1CCCC[C@@H]1NC(=O)[C@H](c1ccc(Cl)cc1)N(Cc1ccc(F)cc1)C(=O)CCl 230277592 SZKVMNJNUIEAPD-HNKPZJSLSA-N 465.396 5.483 50 10 JKGE Brc1cc([C@@H](Br)c2ccc3c(c2)CCCC3)c(Br)s1 232484143 PFJYAJGAHOLGPK-AWEZNQCLSA-N 465.048 6.636 50 10 JKGE CCOc1ccc([C@H](Br)c2ccc(F)c(Br)c2)cc1Br 233791506 FWOWGHUWNJMBHO-OAHLLOKOSA-N 466.970 6.234 50 10 JKGE Fc1cc(Cl)c([C@H](Br)c2cc(Br)sc2Br)cc1F 236213797 SQSPRRDYJTXQCA-JTQLQIEISA-N 481.381 6.689 50 10 JKGE COc1ccc(C=NNC(=O)c2csc3c2CCCC3)cc1COc1ccc([N+](=O)[O-])c(C)c1 252588376 ABOKLFYZIIVWNY-UHFFFAOYSA-N 479.558 5.195 50 10 JKGE Cc1ccc(-n2c(SCC(=O)NN=Cc3cccs3)nnc2-c2ccc(C(C)(C)C)cc2)cc1 254417455 SWKUCSYOGSHGIQ-UHFFFAOYSA-N 489.670 5.844 50 10 JKGE O=C(COc1ccccc1-c1ccccc1)NN=Cc1cn(Cc2ccccc2)c2ccccc12 254751867 OKPIJOVXQCVNNE-UHFFFAOYSA-N 459.549 5.886 50 10 JKGE CCCCCCCCOc1ccc(-c2cc(C(=O)NN=Cc3ccc(O)c(OC)c3)[nH]n2)cc1 254832720 JPWUIYJPMRJUJB-UHFFFAOYSA-N 464.566 5.294 50 10 JKGE BrCc1c(I)c(I)cc2ccsc12 306608882 JRTIPRULNIUSHO-UHFFFAOYSA-N 478.918 5.005 50 10 JKGE Fc1ccc([C@H](Br)c2scc(C(F)(F)F)c2Br)c(Br)c1 380101562 GUTIUJYZMRFMDI-VIFPVBQESA-N 496.943 6.915 50 10 JKGE Brc1ccc([C@@H]2CN(Cc3ccccc3)C[C@H]2CI)cc1 382728291 SEGLTKZPKRHKMT-AEFFLSMTSA-N 456.165 5.100 50 10 JKGE CC[C@@H](O[Si](C)(C)C(C)(C)C)[C@@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)O 399958017 YJNCBEAMILHGCH-DHIUTWEWSA-N 469.654 5.779 50 10 JKGE CC(C)(C)OC(=O)NCCN1CCCCC[C@@H]1c1ccc(CO[Si](C)(C)C(C)(C)C)cc1 616606061 XGAHUANELSWYGN-HSZRJFAPSA-N 462.751 6.650 50 10 JKGE Clc1cc(Br)ccc1CC(CBr)(CBr)C1CCCCC1 696838329 QTVIVWMKMYHHEO-UHFFFAOYSA-N 487.501 7.002 50 10 JKGE Cc1cc(Cl)c([C@H](Br)c2scc(Br)c2Br)cc1C 705437116 FBPLZDIZNYTEHQ-NSHDSACASA-N 473.455 7.028 50 10 JKGE Fc1ccc2c(c1)nc(CCCl)n2CC1(N(Cc2ccccc2)Cc2ccccc2)COC1 705783940 UMZSYUBGLBJIKQ-UHFFFAOYSA-N 463.984 5.428 50 10 JKGE Brc1ccc(I)c([C@H](Br)c2ccc(C3CC3)s2)c1 707930992 QRYOTTVNGDOODX-AWEZNQCLSA-N 498.021 6.477 50 10 JKGE Cc1cc(Br)c([C@H](Br)C[C@@H]2CCCC2(F)F)cc1Br 713958368 OSWDUXWWBDAIIM-TVQRCGJNSA-N 460.982 6.782 50 10 JKGE Brc1cc([C@@H](Br)c2cccs2)ccc1I 721588995 QYCDYVRESDPYIX-LLVKDONJSA-N 457.956 5.600 50 10 JKGE O=C(OCc1ccccc1)N1C[C@H](CBr)[C@H](c2cc(C(F)(F)F)ccc2Cl)C1 725387383 LZTPJKPVMDETAJ-WMLDXEAASA-N 476.720 6.106 50 10 JKGE CCOc1ccc([C@@H](O)CCC(=O)NN=Cc2ccc(OCc3ccc(C)cc3)c(OCC)c2)cc1 1084079210 GQUIYJVJEDKONW-SANMLTNESA-N 490.600 5.335 50 10 JKGE Cc1ccc(NCC(=O)NN=Cc2ccc(Sc3cccc4cccnc34)c([N+](=O)[O-])c2)c(C)c1 1084270894 RJQZYOJSXRWLJB-UHFFFAOYSA-N 485.569 5.473 50 10 JKGE CCCCCCOc1ccc(C=NNC(=O)COc2cc(C)c(Cl)c(C)c2Br)cc1 1772756549 QNVQGCFVZPKVCR-UHFFFAOYSA-N 495.845 6.208 50 10 JKGE N#CC1=C(N)Oc2c(c(C(F)(F)F)nn2-c2ccc(Cl)c(Cl)c2)[C@@H]1c1ccccc1F 1865684311 WHKBZVJGEHPSJB-OAHLLOKOSA-N 469.225 5.555 50 10 JKGE Cc1ccc([C@H]2C(C#N)=C(N)Oc3c2c(-c2ccccc2)nn3-c2ccc(Cl)c(Cl)c2)cc1 1865685604 KNOGRJCRZBMHJM-QFIPXVFZSA-N 473.363 6.373 50 10 JKGE CCCc1nn(-c2ccc(OC)cc2)c2c1[C@@H](c1ccc(Cl)cc1Cl)C(C#N)=C(N)O2 1865685836 NWUHBVVUHNDVFV-FQEVSTJZSA-N 455.345 5.358 50 10 JKGE Cc1nn(Cc2cccc(Cl)c2)c2c1[C@@H](c1ccc(OCc3ccccc3)cc1)C(C#N)=C(N)O2 1865690653 YDKPNCANHVMXOU-SANMLTNESA-N 482.971 5.690 50 10 JKGE C=CCOc1ccccc1[C@@H]1C(C#N)=C(N)Oc2c1c(CCC)nn2Cc1c(F)cccc1Cl 1865690886 DIEJSWHIGVRICQ-HSZRJFAPSA-N 478.955 5.459 50 10 JKGE C=CCOc1ccccc1[C@H]1C(C#N)=C(N)Oc2c1c(CCC)nn2-c1ccc(Cl)c(Cl)c1 1865691531 UXKOTYIRGZJNPJ-QFIPXVFZSA-N 481.383 5.915 50 10 JKGE CCOc1cc([C@@H]2C(C#N)=C(N)Oc3c2c(C)nn3CC(C)C)ccc1OCc1ccccc1 1865693928 MYAASNYMBBECCL-RUZDIDTESA-N 458.562 5.043 50 10 JKGE CCc1nn(-c2ccc(OC)cc2)c2c1[C@@H](c1ccc(OCc3ccccc3C)cc1)C(C#N)=C(N)O2 1865703395 VCIXTKNYYYHJKM-MHZLTWQESA-N 492.579 5.549 50 10 JKGE Cc1ccc(-c2ccc(C(=O)NNC(=O)/C=C/c3cccc(OCc4ccccc4)c3)c(C)n2)cc1 1865757871 YMZRREKCSCFODC-QGOAFFKASA-N 477.564 5.419 50 10 JKGE Cc1nc(Nc2ccc(SC#N)cc2)cc(N2CCC(c3nc4c(s3)CCCC4)CC2)n1 1868480721 RCUFABXQGFSCMT-UHFFFAOYSA-N 462.648 5.821 50 10 JKGE COc1cc(/C=C/C(O)=C(\C#N)c2nc(-c3c(C)c(C)cc(C)c3C)cs2)cc(OC)c1OC 1872754518 WRUUGHGVDPUCGT-HCNMTHCWSA-N 476.598 6.576 50 10 JKGE COc1c(C)cc(Cl)cc1-c1csc(/C(C#N)=C(O)/C(=C\c2ccccc2)c2ccccc2)n1 1872756795 BDZIUAMZMNFJSS-PZFZXBCHSA-N 485.008 7.814 50 10 JKGE N#C/C(=C\c1c(OCc2ccccc2)ccc2ccccc12)c1nc(-c2cccc([N+](=O)[O-])c2)cs1 1872782760 UFWYGKXEEDDYCU-XQNSMLJCSA-N 489.556 7.515 50 10 JKGE CCOC(=O)c1ccc(N2C[C@@H](/C(O)=C(\C#N)c3nc(-c4ccc(F)cc4F)cs3)CC2=O)cc1 1872818371 ZELXVYKGRNCPRX-BXPXOOBPSA-N 495.507 5.111 50 10 JKGE Cc1cc([C@H](Cl)c2sc(Cl)cc2I)c(Br)s1 1900917296 ASXVCXJXPAPDGK-QMMMGPOBSA-N 468.006 6.467 50 10 JKGE Cl[C@H](c1c(Br)sc(Br)c1Br)[C@@H]1[C@H]2[C@H]3CC[C@@H](C3)[C@H]21 1924585436 LOZZVMWDLDIFRK-YFTWWBNTSA-N 475.471 6.608 50 10 JKGE Fc1cc(F)cc([C@H](Cl)c2c(Br)sc(Br)c2Br)c1 1924592297 XTENQQOEOIWZLI-VIFPVBQESA-N 481.381 6.642 50 10 JKGE Clc1c(Br)ccc(CBr)c1N(Cc1ccccc1)[C@H]1CCOC1 1939327795 BNAHTDNNYBKREU-HNNXBMFYSA-N 459.609 5.793 50 10 JKGE CC(C)[C@@H](CBr)N(Cc1ccccc1)C(=O)c1cc(Br)c(Cl)s1 1981400899 CTTYXXYTISWKAV-CQSZACIVSA-N 479.665 6.226 50 10 JKGE Cc1cc(Br)c(CBr)c(N(Cc2ccccc2)Cc2cccs2)c1 2005458080 AXJJNQPHDDKXOP-UHFFFAOYSA-N 465.254 6.921 50 10 JKGE CN(Cc1ccccc1)[C@H]1CCCCN(c2ccc(CBr)c(Br)c2)C1 2050047274 RBVLPRHOCWNLOK-FQEVSTJZSA-N 466.261 5.835 50 10 JKGE Cc1nc([C@H](Br)c2cc(F)c(Br)cc2F)c(Br)s1 2050330885 IJUGFGYQSZIDSM-SECBINFHSA-N 461.951 5.739 50 10 JKGE O=C(N[C@H](CBr)c1cccs1)c1csc(Br)c1Br 2055475612 YIXWZBODXFGVQV-SSDOTTSWSA-N 474.037 5.201 50 10 JKGE C[C@]1([C@H](Br)c2sc(Br)cc2Br)CCCC(F)(F)C1 2068381748 UPSVMHAUANVQCD-MNOVXSKESA-N 467.011 6.925 50 10 JKGE Cc1cc(Cl)c(Br)cc1[C@@H](Br)c1cc(Br)n(C)n1 2082389282 HIDLGFKDAPTDPI-GFCCVEGCSA-N 457.391 5.391 50 10 JKGE COc1c(Cl)cc(Br)cc1[C@@H](Br)c1ncsc1Br 2082860305 ACAHVZBTSBZXGK-MRVPVSSYSA-N 476.415 5.814 50 10 JKGE Fc1c(Cl)cccc1[C@@H](Br)c1ccc(Br)cc1Br 2083336869 FMBLUCWKOCXJFW-LBPRGKRZSA-N 457.362 6.488 50 10 JKGE COc1c(C)cc(Br)cc1[C@H](Cl)c1csc(I)c1 2085634186 DROMJOPUADXWPE-GFCCVEGCSA-N 457.558 5.760 50 10 JKGE O=C(NC[C@H]1CCCC[C@H]1CBr)c1csc(Br)c1Br 2093944846 QLKDONZAAFKBNB-DTWKUNHWSA-N 474.056 5.204 50 10 JKGE Cc1csc([C@@H](Br)c2cc(Cl)c(Cl)c(Cl)c2Cl)c1Br 2100809253 PZBWIJBSXPRWIZ-QMMMGPOBSA-N 483.867 7.917 50 10 JKGE FC1(F)CCC2(CC1)C[C@H]2[C@@H](Br)c1sc(Br)cc1Br 2107095451 HWLBFRSBXKWJGF-OIBJUYFYSA-N 479.022 6.925 50 10 JKGE C[C@H]1CN(Cc2ccccc2)C[C@H](C)N(c2cc(Br)cc(F)c2CBr)C1 2114268355 XNBHMBHCPCJELF-HOTGVXAUSA-N 484.251 5.830 50 10 JKGE COc1cc([C@@H](Br)c2cc(Br)sn2)c(OC)cc1Br 2120038480 IOQGPPHGJBQXGZ-GFCCVEGCSA-N 471.996 5.170 50 10 JKGE CC(C)(C)[C@@H]1[C@@H](Br)CCN1Cc1cc(Cl)ccc1I 2128668341 IFEWXLPQTHWROF-JSGCOSHPSA-N 456.593 5.329 50 10 JKGE Cc1cc(Br)c(C)c([C@H](Br)[C@H]2C[C@]23CCOC3)c1Br 2136373265 ZKGDFVCBNZPLCW-KMUNFCNLSA-N 453.012 5.691 50 10 JKGE CCC[C@H]1CN(Cc2cccc(Br)c2Br)C[C@H]1CBr 2140782803 CYXLMKMVSYGKIY-WCQYABFASA-N 454.044 5.455 50 10 JKGE Clc1ccc(Br)cc1C[C@H](CBr)Cc1ccc(Br)cc1 2166832664 PPUIZRLZOWTCJX-GFCCVEGCSA-N 481.453 6.661 50 10 JKGE Cc1c([C@@H](Br)c2cc(Cl)c(Cl)c(Cl)c2Cl)nn(C)c1Br 2168218656 RMGAETYWRCWAIA-ZETCQYMHSA-N 481.830 6.589 50 10 JKGE Cc1cc(C)cc([C@@H](Br)c2c(C)c(Br)cc(C)c2Br)c1 2201070865 CWEFVXXLURMMGW-QGZVFWFLSA-N 461.035 6.930 50 10 JKGE Cc1cc(Cl)c(Br)cc1[C@H](Br)c1cc2c(s1)CCSC2 2202354807 ZJSPNOKRFOEPFC-HNNXBMFYSA-N 452.664 6.746 50 10 JKGE BrCc1cc(OC[C@H]2CC2(Br)Br)ccc1Br 2210245961 OIUGSMVKHMKJSF-MRVPVSSYSA-N 477.816 5.229 50 10 JKGE Cc1sc(Br)c(C)c1[C@H](Br)c1nn(C)c(Br)c1C 2218797874 IAFGYLOOQRNHJR-VIFPVBQESA-N 457.029 5.416 50 10 JKGE Clc1cc(CN2CCC[C@H](CCCBr)C2)ccc1I 2225806638 QUXMAIVDORLTQE-LBPRGKRZSA-N 456.593 5.332 50 10 JKGE Cc1sc([C@@H](Br)c2cc(Cl)c(Cl)c(Cl)c2Cl)cc1Br 2226085222 XWEKYDAUNUPDCR-VIFPVBQESA-N 483.867 7.917 50 10 JKGE Cc1cc([C@@H](Cl)c2c(Br)cc(C)c(Br)c2C)sc1Br 2227349619 SIXFKQAALCIYOI-CYBMUJFWSA-N 487.482 7.289 50 10 JKGE Cc1cccc([C@@H](Cl)Cc2ccc(Br)cc2Cl)c1I 2229145857 ZONYEQDXYNFFBT-AWEZNQCLSA-N 469.975 6.538 50 10 JKGE Cc1cc(Br)c(C)c([C@H](Br)[C@@H]2OC[C@H]3CCC[C@H]32)c1Br 2233180589 BURZAWNAYRMBAW-NSLUBLRVSA-N 467.039 6.080 50 10 JKGE COc1cc([C@H](Br)c2cc(Br)c(Br)s2)c(OC)cc1C 2236785749 BEEDCEIJLGQBBZ-ZDUSSCGKSA-N 485.035 6.083 50 10 JKGE Cc1cc(Br)ccc1[C@H](Br)c1sc(C)c(C)c1Br 2253504187 JDSWETZYJFLNEF-ZDUSSCGKSA-N 453.037 6.683 50 10 JKGE CC1([C@@H](Br)c2ccc(Br)cc2Br)CC(C(F)(F)F)C1 2264523265 DCWBBXYTNGKZBK-ABKVURRNSA-N 464.945 6.626 50 10 JKGE Fc1cc([C@@H](Cl)c2cc(Br)c(Br)cc2F)c(F)cc1Br 2282089528 BOBXMDHLURYZOX-ZDUSSCGKSA-N 493.342 6.720 50 10 JKGE COc1ccc([C@@H](Br)c2cc(Br)c(Br)s2)c2c1CCC2 2284611233 ZEHDUPDFAMXTDZ-CQSZACIVSA-N 481.047 6.255 50 10 JKGE Cc1ccc(Cl)cc1[C@@H](Br)c1c(F)cc(Br)c(F)c1Br 2288348874 JQBMSOQKTPRDKW-GFCCVEGCSA-N 489.379 6.936 50 10 JKGE CCOC(=O)c1c(NC(=O)C(C#N)=Cc2ccc(-c3ccc(C)cc3)o2)sc2c1CC[C@H](C)C2 2296500358 KTUNNOVWZSHKBU-KRWDZBQOSA-N 474.582 6.164 50 10 JKGE Cc1cc(C=C(C#N)C(=O)Nc2ccc(SC(F)F)cc2)c(C)n1-c1cc(Cl)ccc1Cl 2297487659 UNNZQTUWJSLFDS-UHFFFAOYSA-N 492.378 7.261 50 10 JKGE CCOC(=O)C(C#N)=CC=C(c1ccc(Cl)cc1)N1CCN(c2ccc(Cl)c(Cl)c2)CC1 2297535148 XCUUEOKEHJCWQG-UHFFFAOYSA-N 490.818 5.823 50 10 JKGE CCOc1cc(C=C(C#N)C(=O)Nc2ccccc2C)cc(Cl)c1OCc1ccccc1F 2313541100 RWGBAUVPKUJULG-UHFFFAOYSA-N 464.924 6.311 50 10 JKGE N#CC(=Cc1ccc(OCc2cccc(F)c2)cc1)C(=O)Nc1sc2c(c1C#N)CCCC2 2313630309 FNCCDOPICORWMK-UHFFFAOYSA-N 457.530 5.762 50 10 JKGE COc1cc(C=C(C#N)C(=O)Nc2cccc([N+](=O)[O-])c2)ccc1OCc1ccc(Cl)c(Cl)c1 2313670662 NTGGHMOIYDNICJ-UHFFFAOYSA-N 498.322 6.035 50 10 JKGE CCOc1ccc(NC(=O)C(C#N)=Cc2ccc(OCc3ccc(Cl)cc3Cl)c(OC)c2)cc1 2313681189 RZRTUSFJFAZRSQ-UHFFFAOYSA-N 497.378 6.525 50 10 JKGE Cc1c(Cl)cccc1NC(=O)C(C#N)=Cc1cn(Cc2ccc(Cl)cc2Cl)c2ccccc12 2313738671 NSTBNSYUDSYDGZ-UHFFFAOYSA-N 494.809 7.504 50 10 JKGE Brc1cc(OCc2ccccc2)ccc1[C@H](Br)C[C@@H]1CCC[C@H]2C[C@@H]21 2314442485 BWMYOZPAFCNXST-IDPBPBMLSA-N 464.241 7.290 50 10 JKGE CCNC(=O)C(C#N)=Cc1cn(-c2ccccc2)nc1-c1cccc(OCc2ccccc2F)c1 2314475725 BCFRZTRKSJMCDO-UHFFFAOYSA-N 466.516 5.300 50 10 JKGE CCNC(=O)C(C#N)=Cc1cn(-c2ccccc2)nc1-c1cccc(OCc2ccc(Cl)cc2)c1 2314478014 FEJAZUCHKQIYCR-UHFFFAOYSA-N 482.971 5.815 50 10 JKGE COc1ccc(N2C(=O)[C@@H](Cc3ccc(C)c(C)c3)SC2=C(C#N)C(=O)Nc2cccc(C)c2)cc1 2314592027 KDUSBTYQZNQYRI-AREMUKBSSA-N 497.620 5.685 50 10 JKGE CCCCOc1ccc(C=C(C#N)C(=O)Nc2sc(=S)c3c(c2C#N)CC[C@@H](C)C3)cc1 2314793256 PSYJDVMUBHMXHY-MRXNPFEDSA-N 463.628 6.199 50 10 JKGE COc1cc([C@@H](Br)c2sc(Cl)cc2I)ccc1F 2316598694 GMUUDWKAXCBMIN-LLVKDONJSA-N 461.521 5.638 50 10 JKGE Clc1cc(Cl)cc(CC[C@H](Br)c2cscc2OCc2ccccc2)c1 2318653375 AJQXFUMIFVQJKX-IBGZPJMESA-N 456.232 7.703 50 10 JKGE CCCCCOc1ccc(C=C(C(=O)N(CCCl)CCCl)c2ccccc2)cc1OC 2322767209 ZBWNEGAZQUXINI-UHFFFAOYSA-N 464.433 6.111 50 10 JKGE COCCOc1ccc(C=C(C#N)C(=O)N2CCC(c3cccc(C(F)(F)F)c3)CC2)cc1 2325117938 TXHHTQKCXQNNBI-UHFFFAOYSA-N 458.480 5.044 50 10 JKGE CC(C)C[C@H](C(O)=C(C#N)c1nc(-c2cccc([N+](=O)[O-])c2)cs1)N1C(=O)c2ccccc2C1=O 2331232473 BLBOPPVIHGVUPZ-OAQYLSRUSA-N 488.525 5.222 50 10 JKGE CCCCCCCOc1ccc(-c2csc(C(C#N)=C(O)C=Cc3ccc(OCC)cc3)n2)cc1 2331345493 ORRHHYWICVCJTP-UHFFFAOYSA-N 488.653 8.064 50 10 JKGE N#CC(=C(O)Cc1ccc(Cl)c(Cl)c1)c1nc(-c2ccc(Oc3ccccc3)cc2)cs1 2331358643 XTFUADQKAFCDJW-UHFFFAOYSA-N 479.388 7.945 50 10 JKGE COc1cc(OC)cc(C(O)=C(C#N)c2nc(-c3cc(Cl)c(OC)cc3OC)cs2)c1 2331377473 CCNDBJBXNALYIB-UHFFFAOYSA-N 458.923 5.448 50 10 JKGE COc1ccc(-c2csc(C(C#N)=C(O)c3cccc(Br)c3)n2)c2ccccc12 2331405158 XPADNESGQYDBHI-UHFFFAOYSA-N 463.356 6.684 50 10 JKGE CCCCCOc1ccc(C=C(C#N)c2nc(-c3cc(C)c(OC)cc3C)cs2)cc1OC 2331485596 IZWKFZAHPOWFDE-UHFFFAOYSA-N 462.615 7.077 50 10 JKGE Cc1cc(Br)c(C)c([C@H](Br)[C@H]2[C@@H]3CCCO[C@@H]32)c1Br 2332925571 LRGGISSSCNVKIF-WRESQXIRSA-N 453.012 5.689 50 10 JKGE Fc1cc(Br)c(F)c(Br)c1[C@@H](Br)[C@@H]1CC[C@@H]2C[C@@H]2C1 2334720402 WAZQGPMUIFLTQP-ASSXTNMASA-N 458.966 6.362 50 10 JKGE C[C@@H]1CCO[C@H]1C[C@@H](Br)c1c(Cl)cc(Br)c(F)c1Br 2337094750 SGWUJFLDIYDJCP-XSSZXYGBSA-N 479.409 6.255 50 10 JKGE Clc1cccc([C@H](CBr)Cc2ccc(Cl)c(I)c2)c1 2337224790 DPWUWRQVZUBAER-LBPRGKRZSA-N 469.975 6.319 50 10 JKGE Clc1cc(I)c([C@H](Br)c2ccc3c(c2)OCCO3)s1 2338559371 WURTYZOIQHJRBO-GFCCVEGCSA-N 471.541 5.262 50 10 JKGE COc1c(Br)cc(C)c([C@H](Br)[C@@]23C[C@H]2[C@H](C)C3)c1Br 2339676169 UWNFIJQRMJGGES-IOWHJBRQSA-N 453.012 6.011 50 10 JKGE Cc1c(Br)ccc([C@H](Br)C23CC(C[C@H](C)O2)C3)c1Br 2342245405 XNQLEBLCEDPLCG-IUEQWVMHSA-N 453.012 5.914 50 10 JKGE Cl[C@@H]1C[C@H](OCc2ccc(I)c(Br)c2)C12CCCC2 2350039660 NTYAQNJQFZYLBZ-KGLIPLIRSA-N 455.561 5.510 50 10 JKGE Brc1cc(OCc2ccccc2)ccc1[C@@H](Br)[C@@H]1C[C@@H]2CCCCCC[C@@H]21 2361168115 JJJHYAAFOUCHMI-YCYVKTGYSA-N 492.295 8.071 50 10 JKGE O=C(c1cc(Br)sc1Br)N1CC[C@@H](Cl)C[C@@H]1C(F)(F)F 2361444900 TWFMRGHTKUXAKB-IYSWYEEDSA-N 455.521 5.047 50 10 JKGE O=C(c1scc(Br)c1Cl)N1CC[C@H](Br)C[C@@H]1C(F)(F)F 2361464937 SLRBMNQOYHOJLA-CAHLUQPWSA-N 455.521 5.094 50 10 JKGE C[C@]1(C(F)(F)F)C[C@@H]1[C@H](Cl)c1c(Cl)cc(Br)c(F)c1Br 2362232201 KVWFOENMRNXQGD-WDDAIFGJSA-N 458.902 6.873 50 10 JKGE Fc1ccc(C(F)F)c([C@@H](Cl)c2cc(Br)ccc2OCc2ccccc2)c1 2363669464 UOKNTQHWZLNSKR-HXUWFJFHSA-N 455.701 7.433 50 10 JKGE CCOc1ccc(C)cc1[C@@H](Br)c1c(Br)c(Br)nn1C 2364062578 ANQMXINLPGQAKP-LLVKDONJSA-N 466.999 5.137 50 10 JKGE COc1cc(F)c(CO[C@@]2(CBr)CCCN(C(=O)OC(C)(C)C)C2)c(Cl)c1 2364649256 ZDWPOKBRXYYTLW-LJQANCHMSA-N 466.775 5.169 50 10 JKGE COc1c(Br)cc(C)c([C@@H](Br)[C@@H](C)C2CCCC2)c1Br 2365191748 QWJMAJULQBNGGQ-HZMBPMFUSA-N 469.055 6.791 50 10 JKGE Brc1cccc(Br)c1CO[C@@H]1C[C@H](Br)C12CCCCC2 2366184327 HFSXFGHSYZYWGL-LSDHHAIUSA-N 467.039 6.215 50 10 JKGE C[C@@H](Br)CN(C(=O)c1ccc(Cl)cc1I)C1CCCC1 2368843376 DDODVCRPSRSADV-SNVBAGLBSA-N 470.576 5.113 50 10 JKGE Cc1nsc(Br)c1-n1c([C@@H](C)Cl)nc2cc(I)ccc21 2380351247 IZPXPKRUXIZCLE-ZCFIWIBFSA-N 482.572 5.457 50 10 JKGE Cc1ccc([C@@H](C(=O)NC2CCCCCC2)N(Cc2ccccc2Cl)C(=O)CCl)cc1 3038844 COPAXKZINDRCEB-DEOSSOPVSA-N 461.433 5.796 50 10 JKGE COc1ccc([C@@H](C(=O)NCCc2ccccc2)N(Cc2ccccc2Cl)C(=O)CCl)cc1 3039721 UUPAQMHGVZXYCU-VWLOTQADSA-N 485.411 5.016 50 10 JKGE N#C/C(=C/c1cccc(OCc2ccccc2Cl)c1)C(=O)Nc1ccccc1C(F)(F)F 3231420 LHKHKDIBZCACBC-PDGQHHTCSA-N 456.851 6.483 50 10 JKGE O=C(NNC(=O)N1c2ccccc2Sc2ccccc21)c1ccc(NC(=O)c2ccccc2)cc1 13988925 CZCQJQNTPHGIRG-UHFFFAOYSA-N 480.549 5.596 50 10 JKGE CCCCCCOc1ccc(Br)cc1C(=O)NNC(=O)COc1ccc(Cl)cc1C 14648303 IVQSXNRKTBICHN-UHFFFAOYSA-N 497.817 5.210 50 10 JKGE ClCCN(CCCl)c1ccc(OCCCNc2c3ccccc3nc3ccccc23)cc1 26818257 ZNWKRDRQLSWIFJ-UHFFFAOYSA-N 468.428 6.553 50 10 JKGE CCCOc1ccc(/C=C(\C#N)C(=O)Nc2scc(-c3ccc(F)cc3)c2C(=O)OCC)cc1 33346772 KRGYKIRAAZITQQ-XMHGGMMESA-N 478.545 6.065 50 10 JKGE COc1ccc(-c2nn(-c3ccccc3)cc2/C=C(/C#N)S(=O)(=O)c2ccccc2)cc1Cl 33383803 TZAPBJQTHUMFEN-HMAPJEAMSA-N 475.957 5.540 50 10 JKGE CCCSc1ccc(-c2nn(-c3ccccc3)cc2/C=C(/C#N)C(=O)NC2CCCCC2)cc1 35445872 KKBKJKBAUPTSII-PYCFMQQDSA-N 470.642 6.397 50 10 JKGE CCOc1cc(/C=C2/C(=O)N(C3CCCCC3)C(=O)C(C#N)=C2C)ccc1OCc1ccc(C)cc1 38608219 FXLJMSOXIRJLTI-PCLIKHOPSA-N 484.596 5.898 50 10 JKGE CC(C)c1ccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4ccccc4[N+](=O)[O-])ccc32)cc1 38649492 HZJHIMKLHNUVPX-DEOSSOPVSA-N 455.470 5.156 50 10 JKGE CCCCCOc1ccc(C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@H]3c2cccc(OCC)c2)cc1 38684915 QVSFTYBHKRDRTA-NDEPHWFRSA-N 498.579 6.092 50 10 JKGE N#CC1=C(N)Oc2cc(OC(=O)c3sc4cccc(Cl)c4c3Cl)ccc2[C@@H]1c1ccco1 38688478 URQDTXPNUDBBHA-SFHVURJKSA-N 483.332 6.238 50 10 JKGE Cc1c(C(=O)Oc2ccccc2)oc2c1/C(=N/NC(=O)c1ccc(Cl)cc1Cl)CCC2 40813743 SKYMWQCLYVXAFT-NLRVBDNBSA-N 457.313 5.584 50 10 JKGE O=C(COc1cc(Cl)ccc1Cl)N/N=C1\C(=O)N(Cc2ccccc2Cl)c2ccccc21 40846291 LZEVPVLSQPWUBW-SLMZUGIISA-N 488.758 5.093 50 10 JKGE CCOc1ccc([C@@H](O)CCC(=O)N/N=C\c2cc(C)n(-c3ccccc3Cl)c2C)cc1 58894534 PACPCNNYFZHLKG-GJVLPJBHSA-N 453.970 5.110 50 10 JKGE COc1cc(/C=N/NC(=O)c2cc3cc(Br)ccc3o2)ccc1OCc1cccc(F)c1 59303883 QDAIDNYASGTLCF-UVHMKAGCSA-N 497.320 5.686 50 10 JKGE Cc1ccc(NC(=O)/C(C#N)=C\c2cc(Br)ccc2OCc2ccccc2C#N)cc1 59335795 NILNKCJSCDCSHM-MTJSOVHGSA-N 472.342 5.754 50 10 JKGE O=C(N/N=C\c1ccc(Oc2ccc(C(F)(F)F)cc2[N+](=O)[O-])cc1)c1ccccc1Cl 59462937 AFINVHKMMXQDOO-ZRGSRPPYSA-N 463.799 5.823 50 10 JKGE O=C(CNc1ccc(I)cc1)N/N=C\c1c2ccccc2cc2ccccc12 59514226 YGYRYLKAIZITPV-WGARJPEWSA-N 479.321 5.160 50 10 JKGE C[C@@H]1CCCC[C@H]1NC(=O)[C@@H](c1ccc(Cl)cc1)N(C(=O)CCl)c1ccc(Cl)cc1 97914270 WVMCCJIBNSDMCC-RBQRDFNRSA-N 467.824 6.001 50 10 JKGE Fc1cccc(Cl)c1[C@@H](Br)c1cc(Br)sc1Br 104032454 VELYXBOLKBDMSH-JTQLQIEISA-N 463.391 6.550 50 10 JKGE Cc1cccc(Cn2cc(/C=C(/C#N)C(=O)Nc3sc4c(c3C#N)CCCC4)c3ccccc32)c1 107823373 OTDLUJMOYUOQDO-STZFKDTASA-N 476.605 6.356 50 10 JKGE Fc1ccc([C@H](Br)c2cc(Br)sc2Br)cc1C(F)(F)F 109869686 MRUNHGZGUHOIRE-JTQLQIEISA-N 496.943 6.915 50 10 JKGE BrCC(CBr)(Cc1ccsc1)c1ccc(Br)cc1 118671792 XQTNNVAMOIANFP-UHFFFAOYSA-N 453.037 5.781 50 10 JKGE BrCC(CBr)(CCC[C@H]1CCCO1)c1ccc(Br)cc1 118878554 NEAONRHYLVFDLT-HNNXBMFYSA-N 469.055 5.826 50 10 JKGE COc1ccc(-n2c(C)cc(/C=C(/C#N)C(=O)N(C)CC(=O)Nc3c(C)cc(C)cc3C)c2C)cc1 206166819 FENHLQZECOXHLM-IWIPYMOSSA-N 484.600 5.032 50 10 JKGE CCCCCOc1ccc(/C=C\C(=O)Oc2ccc(/C=C(/C#N)C(=O)NCCCC)cc2)cc1OC 207091741 ZHZOLSNULHBCPX-VRIPHVGBSA-N 490.600 5.706 50 10 JKGE CC[C@H](C)N1C(=O)C(C#N)=C(C)/C(=C/c2cn(-c3ccccc3)nc2-c2ccc3c(c2)C[C@H](C)O3)C1=O 214258089 SUGPQLCFTFYWJZ-UDHVIVJUSA-N 492.579 5.253 50 10 JKGE COc1cc(F)c(Br)cc1[C@@H](Br)c1ccc(C)cc1Br 234864827 ZXLZIGRFNWJARL-HNNXBMFYSA-N 466.970 6.152 50 10 JKGE Fc1cc(F)c([C@H](Br)c2cc(Br)sc2Br)cc1F 236256176 WWSJKOQTLPLSDM-JTQLQIEISA-N 464.926 6.175 50 10 JKGE CC(=NNC(=O)[C@@H](C)Oc1ccc(Cl)cc1C)c1cccc(NC(=O)C2CCCCC2)c1 252615122 JPELOIFKEVNONL-GOSISDBHSA-N 455.986 5.475 50 10 JKGE CCC(=NNC(=O)c1cc(-c2ccc(OC)cc2OC)nc2ccccc12)c1ccc(CC)s1 252628572 STDFDSBJLMFNRK-UHFFFAOYSA-N 473.598 6.087 50 10 JKGE CC1(C)[C@H]2CC[C@@]1(C)[C@@H](O[C@H](CI)c1ccccc1Br)C2 253137889 USADWOSAKFCZDB-AWOKKLPBSA-N 463.197 6.157 50 10 JKGE Cc1ccc(C)n1-c1ccc(C(=O)NN=Cc2c(OC(=O)c3ccccc3)ccc3ccccc23)cc1 254352409 STILGGHSYYQCTE-UHFFFAOYSA-N 487.559 6.230 50 10 JKGE Cc1c(Br)cc(NCC(=O)NN=Cc2ccc(Cl)cc2Cl)cc1Br 254514954 RIMZJFRYCJZEBV-UHFFFAOYSA-N 494.014 5.389 50 10 JKGE CCCCCCCCCC(=O)NN=Cc1ccc(OC(=O)c2ccc(OC)cc2)c(OC)c1 254832967 YGKOGPWJISLOMJ-UHFFFAOYSA-N 454.567 5.514 50 10 JKGE Cc1cc(C)c([C@H](Br)c2c(F)cccc2Br)c(C)c1Br 380056907 TZNSGABLEZDNSQ-INIZCTEOSA-N 464.998 6.760 50 10 JKGE Fc1cc(Br)c(Cl)cc1[C@H](Br)c1ccc(OCc2ccccc2)cc1 381403730 XAJPYWRGJFGEOI-HXUWFJFHSA-N 484.590 7.305 50 10 JKGE Cc1c(Cl)ccc2nc([C@H](C)Cl)n(CCCN(Cc3ccccc3)Cc3ccccc3)c12 390480711 LEOSVOJCKGKGST-NRFANRHFSA-N 466.456 7.390 50 10 JKGE CC(C)(C)OC(=O)N1C[C@H](c2ccccc2CO[Si](C)(C)C(C)(C)C)Nc2ccccc21 616679837 GVKZKUKSPHJJHU-JOCHJYFZSA-N 454.687 7.117 50 10 JKGE COCc1cc(Br)c([C@@H](Cl)c2sccc2I)s1 710951471 KWHAAUMPXUMLSP-SECBINFHSA-N 463.587 5.651 50 10 JKGE COc1ccc(OCC2(CBr)CCCCCC2)cc1I 712917659 ZATQKERQWMPCKJ-UHFFFAOYSA-N 453.158 5.414 50 10 JKGE Cc1sc(C)c([C@H](Br)c2cc(Br)cc(Br)c2)c1C 722488487 ZDMLJRIHZNGVDT-CQSZACIVSA-N 453.037 6.683 50 10 JKGE Cc1ccc(-c2ccccc2)n1-c1ccc(C(=O)NN=Cc2cccc(Oc3ccccc3)c2)cc1 1083985423 AUJFCUBLXYZVHL-UHFFFAOYSA-N 471.560 7.009 50 10 JKGE Cc1cc(C=NNC(=O)CSCc2ccc(Cl)cc2)c(C)n1-c1cc(Cl)cc(Cl)c1 1084013915 WNGDRRQOYTVJLU-UHFFFAOYSA-N 480.848 6.438 50 10 JKGE CC(=NNC(=O)CSCc1ccc(Cl)cc1)c1cccc(NC(=O)c2cccc(Cl)c2)c1 1084326284 KFNPCOLZUGVWCD-UHFFFAOYSA-N 486.424 6.019 50 10 JKGE Cc1cccc(C)c1NC(=O)CSc1ccc(C=NNC(=O)Cc2cccc3ccccc23)o1 1084393572 ABIOFFSGIMQGKS-UHFFFAOYSA-N 471.582 5.473 50 10 JKGE Cc1ccc(COc2ccc3ccccc3c2C=NNC(=O)c2ccccc2Br)cc1 1084454730 ZXNFRSRQIAVMJN-UHFFFAOYSA-N 473.370 6.254 50 10 JKGE Cc1ccc(N2C(=O)[C@H](Cc3ccccc3C)S/C2=C(\C#N)C(=O)N[C@H](C)c2ccccc2)cc1C 1614653289 PXGVKFLNQPZBBW-LKHIEZPYSA-N 495.648 5.916 50 10 JKGE O=C(OCc1ccccc1)N1C[C@H](c2cccc(C(F)(F)F)c2)[C@@H](CI)C1 1614811941 QYHYQMVBALMLLB-FUHWJXTLSA-N 489.275 5.493 50 10 JKGE COc1cc(C=NNC(=O)COc2cc(C)cc(C)c2C)ccc1OCc1ccccc1Cl 1772753328 RIMATOOXCYEKKH-UHFFFAOYSA-N 466.965 5.382 50 10 JKGE CCCc1nn(Cc2ccc(Cl)cc2)c2c1[C@H](c1cccc3ccccc13)C(C#N)=C(N)O2 1865682065 DXPVTZHRSMRJEU-XMMPIXPASA-N 454.961 5.909 50 10 JKGE COc1ccc(-c2nn(-c3cccc4ccccc34)c3c2[C@H](c2ccc(O)cc2)C(C#N)=C(N)O3)cc1 1865684588 SMRZUDSSNQGSAO-AREMUKBSSA-N 486.531 5.625 50 10 JKGE COc1ccc(-n2nc(C(F)(F)F)c3c2OC(N)=C(C#N)[C@H]3c2ccc(C(C)C)cc2)cc1 1865685051 CYSZQQRKWFRRHV-LJQANCHMSA-N 454.452 5.241 50 10 JKGE CCc1nn(Cc2ccccc2Cl)c2c1[C@H](c1c(Cl)cccc1Cl)C(C#N)=C(N)O2 1865685303 GRMWZAVOSZKNHA-SFHVURJKSA-N 459.764 5.672 50 10 JKGE COc1ccc2ccccc2c1[C@H]1C(C#N)=C(N)Oc2c1c(C)nn2Cc1ccc(Cl)c(Cl)c1 1865688574 VKVKNQDSCCCFES-DEOSSOPVSA-N 491.378 5.927 50 10 JKGE CCOc1ccc([C@@H]2C(C#N)=C(N)Oc3c2c(CC)nn3Cc2ccccc2Cl)cc1OCC 1865689156 LHJQQOHJVSEPEK-HSZRJFAPSA-N 478.980 5.163 50 10 JKGE CCOc1ccc([C@@H]2C(C#N)=C(N)Oc3c2c(CC)nn3-c2ccccc2Cl)cc1OCC 1865690048 ZTEKWHZQDCULOP-JOCHJYFZSA-N 464.953 5.104 50 10 JKGE CCc1nn(Cc2cc(C)ccc2C)c2c1[C@@H](c1ccc(OCc3ccccc3)cc1)C(C#N)=C(N)O2 1865690537 UGSQMTKIOCFFPX-NDEPHWFRSA-N 490.607 5.908 50 10 JKGE CCCOc1c(OC)cccc1[C@H]1C(C#N)=C(N)Oc2c1c(CC)nn2Cc1ccc(Cl)cc1 1865692451 GCGJLOPVWDIALU-QFIPXVFZSA-N 478.980 5.163 50 10 JKGE CCn1nc(-c2ccc(OC)cc2)c2c1OC(N)=C(C#N)[C@H]2c1ccc(OCc2ccc(C)cc2)cc1 1865692838 JOSBRAZOEDFXJK-AREMUKBSSA-N 492.579 5.684 50 10 JKGE CCCOc1ccc([C@@H]2C(C#N)=C(N)Oc3c2c(-c2ccccc2)nn3-c2ccccc2Cl)cc1 1865692882 GLOFIGVLEBKSST-XMMPIXPASA-N 482.971 6.200 50 10 JKGE CCOc1ccc([C@H]2C(C#N)=C(N)Oc3c2c(-c2ccc(OC)cc2)nn3Cc2ccc(F)cc2)cc1 1865695015 HUQVJWUEJDHENJ-VWLOTQADSA-N 496.542 5.363 50 10 JKGE COc1cc([C@H]2C(C#N)=C(N)Oc3c2c(-c2ccccc2)nn3Cc2ccccc2)ccc1OC(C)C 1865696949 LVTMFIJHQTXTFA-SANMLTNESA-N 492.579 5.612 50 10 JKGE CCCc1nn(-c2cccc(Cl)c2)c2c1[C@@H](c1ccc(N(CC)CC)cc1)C(C#N)=C(N)O2 1865702009 KOHXYVDRBWNMLL-QHCPKHFHSA-N 461.997 5.543 50 10 JKGE COc1ccc(-c2nn(C)c3c2[C@H](c2ccc(OCc4ccccc4Cl)cc2)C(C#N)=C(N)O3)cc1 1865703527 AJGAOWAQVAFZER-XMMPIXPASA-N 498.970 5.546 50 10 JKGE CCCCCCCCCOc1ccc(/C=C(\C#N)n2cnc3ccccc32)cc1Br 1872727208 GFVVLTUONBAUJQ-LTGZKZEYSA-N 466.423 7.450 50 10 JKGE COc1ccc(-c2csc(/C(C#N)=C(\O)CCCOc3ccc(C(C)(C)C)cc3)n2)cc1OC 1872745449 NICLGBPABWVZLF-LNVKXUELSA-N 478.614 6.777 50 10 JKGE CC(C)c1ccc(-c2csc(/C(C#N)=C/c3ccccc3OCc3ccccc3Cl)n2)cc1 1872791928 WSRHVHFBFOYBBJ-BUVRLJJBSA-N 471.025 8.230 50 10 JKGE CC(C)(CBr)N(Cc1ccccc1)c1ccc(S(=O)(=O)C(F)(F)F)cc1 1915762025 CDEKCBRYJHWTLL-UHFFFAOYSA-N 450.320 5.160 50 10 JKGE CN(CCN(Cc1ccccc1)c1cc(Cl)ccc1CBr)Cc1ccccc1 1931966081 WEHMJWGEDXGVSQ-UHFFFAOYSA-N 457.843 6.374 50 10 JKGE CCc1sc(Br)cc1[C@@H](Br)c1ccccc1I 1943032554 FBGPZJPAQSIBKS-ZDUSSCGKSA-N 486.010 6.162 50 10 JKGE BrCc1ccc(Br)cc1N1C[C@H]2C[C@H]1CN(Cc1ccccc1)C2 1997909838 JENARDYVIAMXDV-LPHOPBHVSA-N 450.218 5.055 50 10 JKGE CC(C)c1ccc(S(=O)(=O)c2ccc(NNC(=O)C=Cc3ccc(OC(F)F)cc3)cc2)cc1 2040437145 KWNBSTFGQMNOIL-UHFFFAOYSA-N 486.540 5.401 50 10 JKGE C[C@H](Br)[C@H](NCc1ccc(Br)cc1Br)C(F)(F)F 2074716256 LFXNJJWTRVWHAS-WKEGUHRASA-N 453.922 5.016 50 10 JKGE CCOc1ccc(Cn2nc(CBr)c(Br)c2C(F)(F)F)c(C)c1 2079230489 RBSBNXZSZDCSOG-UHFFFAOYSA-N 456.100 5.315 50 10 JKGE BrC[C@@H](Cc1csc(Br)c1)Cc1ccccc1Br 2084076405 BTWWPOXIRLPWNF-JTQLQIEISA-N 453.037 6.069 50 10 JKGE Brc1cc2c(c([C@H](Br)c3sncc3Br)c1)OCCC2 2088928411 AKNRNBCQUSBFOG-NSHDSACASA-N 468.008 5.477 50 10 JKGE CCc1cc(Br)c([C@@H](Br)c2cc(Br)ccc2OC)s1 2089710389 XSFNSXSWKAOBAP-ZDUSSCGKSA-N 469.036 6.328 50 10 JKGE O=C(N[C@@H]1CCCC[C@@H]1CCBr)c1cc(Br)c(Br)s1 2090566115 BETQGTCOCXYQJE-PSASIEDQSA-N 474.056 5.347 50 10 JKGE CN(c1cccc(Br)c1CBr)C1C[C@@H]2CC[C@H](C1)N2Cc1ccccc1 2094894692 NXFDIWOVDGKPQS-DFNIBXOVSA-N 478.272 5.976 50 10 JKGE Cc1sc(Br)cc1[C@@H](Br)c1cc(Br)c2c(c1)CCO2 2095697205 UAVDMQBEKRMLTA-ZDUSSCGKSA-N 467.020 6.001 50 10 JKGE Fc1ccc(Br)cc1Oc1c(CBr)ccc(Br)c1Cl 2098115660 CQHJTFNKWJDMEP-UHFFFAOYSA-N 473.361 6.691 50 10 JKGE Cc1c(Cl)cc(CC(CBr)(CBr)CC(C)C)cc1Br 2111086719 MBHLIRLTQIUWJA-UHFFFAOYSA-N 475.490 6.776 50 10 JKGE Fc1ccc(I)cc1[C@H](Cl)c1cc(Br)c(Cl)cc1F 2113351436 PDJXQSJMYJKDFY-ZDUSSCGKSA-N 477.901 6.314 50 10 JKGE Fc1ccc(Br)cc1CC[C@@H](Br)c1cccc(Br)c1 2113489930 WOEJJJAHWISDHM-CQSZACIVSA-N 450.971 6.420 50 10 JKGE O=S(=O)(c1ccc(CBr)c(Cl)c1)N(Cc1ccccc1)Cc1cccs1 2123203631 GFQHLDGBGHMNMR-UHFFFAOYSA-N 470.841 5.688 50 10 JKGE C[C@@H](C1CC1)N(Cc1ccccc1)S(=O)(=O)c1cc(Cl)cc(CBr)c1Cl 2123268751 NEERBJMTTNWCBP-ZDUSSCGKSA-N 477.251 5.878 50 10 JKGE COCc1ccccc1[C@H](Br)c1sc(Br)c(C)c1Br 2134736091 JRUJZOZFZXBSSA-LBPRGKRZSA-N 469.036 6.212 50 10 JKGE Cc1cc(Cl)c(Br)cc1[C@H](Br)c1cc(Br)ccc1F 2137643156 PGJWJKFROVDBII-AWEZNQCLSA-N 471.389 6.797 50 10 JKGE CCn1ncc(Br)c1[C@@H](Cl)c1ccc(Br)c(C)c1Br 2138875690 IBGSYKQTRIGSGZ-LBPRGKRZSA-N 471.418 5.827 50 10 JKGE COc1ccc(F)cc1[C@@H](Br)c1ccc(Br)cc1I 2142287313 LYZGGWFPYVFVII-AWEZNQCLSA-N 499.943 5.686 50 10 JKGE BrCC(CBr)(Cc1cc(Br)cc2c1OCC2)C1CCC1 2145927825 NZWLZTKMRSKBFX-UHFFFAOYSA-N 467.039 5.503 50 10 JKGE Cl[C@H](c1cc2c(cc1Br)OCC2)c1c(Br)cccc1Br 2150493636 CMSUVMQWCPWPEE-OAHLLOKOSA-N 481.409 6.237 50 10 JKGE ClCc1nc2cc(Cl)cnc2n1Cc1scc(Br)c1Br 2150565248 WNXDUVDEONSAKG-UHFFFAOYSA-N 455.990 5.458 50 10 JKGE CCCCCCCCCC[C@@H](Br)c1cc(Br)ccc1Br 2164503929 XEVKROPPBZRLLB-MRXNPFEDSA-N 469.099 8.178 50 10 JKGE Clc1c(Br)sc(Br)c1[C@H](Cl)[C@@H]1C[C@@H]2CCCCCC[C@@H]21 2166117503 FHXFKUIACALXPK-UXCLJVHYSA-N 461.090 7.813 50 10 JKGE CN(C(=O)c1ccc(I)c(Br)c1)[C@@H]1CCCCC[C@@H]1Cl 2172541519 YDEJSGVJLVTSOI-GXTWGEPZSA-N 470.576 5.066 50 10 JKGE CO[C@@H]1CC([C@@H](Br)c2cc(Br)c(C)cc2Br)C[C@H]1OC 2174900827 KMTDMGRKTNSPSN-RBSFLKMASA-N 471.027 5.396 50 10 JKGE CCn1cc(Br)c(COc2c(C)cc(Br)cc2CBr)n1 2181151076 NSGUTQZZWWNYEN-UHFFFAOYSA-N 466.999 5.210 50 10 JKGE Cc1nn(C)c(Br)c1C[C@@H](CBr)Cc1ccc(Br)cc1 2185799846 ZQMZNIMMGFZJHU-LBPRGKRZSA-N 465.027 5.050 50 10 JKGE C[C@@H](c1cscc1Br)N(C)c1c(CCl)ccc(Br)c1Cl 2186583051 ZBEVOVKRARFWOE-QMMMGPOBSA-N 458.046 6.863 50 10 JKGE Cc1ccc(C(CBr)(CBr)Cc2cc(Cl)sc2Cl)cc1 2195407676 PXZJIVLBIWRBCF-UHFFFAOYSA-N 457.058 6.634 50 10 JKGE Cc1cc(Br)c(C)c([C@H](Br)[C@@H]2C[C@H]3O[C@H]2[C@@H]2C[C@H]32)c1Br 2201064941 LVLHSLCMUWTIJL-RMKDTBIHSA-N 465.023 5.688 50 10 JKGE COc1cc(Cl)c([C@@H](Br)c2cc(F)cc(Br)c2)cc1Br 2202350559 FOIJDCJOCRAMFF-AWEZNQCLSA-N 487.388 6.497 50 10 JKGE C[C@H](Cl)c1nc2cc(I)ccc2n1C[C@]1(Br)CC1(F)F 2202504616 KJUNNRKBRFLCDI-JVXZTZIISA-N 475.502 5.113 50 10 JKGE Cc1c(Br)ccc([C@@H](Br)C2CC3(C2)CC32CCC2)c1Br 2203686073 MMWKJPIHTKMPBP-XNYLIXPXSA-N 463.051 6.926 50 10 JKGE COc1c(Br)cc(C)cc1[C@H](Br)c1cccc(F)c1Br 2203830945 YVDUMXSOVPFCKD-CYBMUJFWSA-N 466.970 6.152 50 10 JKGE Fc1ccc(Br)c(CO[C@H](CI)c2cccc(Cl)c2)c1 2206272392 BSHOGDFFRVMJQT-OAHLLOKOSA-N 469.519 5.935 50 10 JKGE C[C@H](Br)C[C@H](C)c1sc(Br)c(Br)c1Br 2209974081 VSNNKHJZNPDPHZ-WHFBIAKZSA-N 469.862 6.313 50 10 JKGE COc1sc([C@H](Br)c2sc(C)cc2Br)cc1Br 2215942173 FHXJXFXETCVRBE-VIFPVBQESA-N 461.038 6.136 50 10 JKGE Fc1cc(Br)c(Br)cc1[C@@H](Cl)c1cccc(Br)c1 2218598740 VZDAEZCRQOXPGX-ZDUSSCGKSA-N 457.362 6.441 50 10 JKGE CCCCCCCCCCCO[C@@H]1CN(C(=O)OC(C)(C)C)C[C@H]1I 2223236103 YCIORPXSHBQXSF-QZTJIDSGSA-N 467.432 5.957 50 10 JKGE CC[C@@](C)(Cn1c(CCl)nc2c(F)cc(Br)cc21)N(C)Cc1ccccc1 2232925132 ZFKGKTUYSUDRJM-NRFANRHFSA-N 452.799 5.977 50 10 JKGE Fc1cc(Br)c(Br)cc1[C@H](Br)c1ccc2sncc2c1 2233981559 KCWNZMLFTRKUHW-CQSZACIVSA-N 479.994 6.445 50 10 JKGE Cc1cc(Br)c([C@H](Br)c2ccc([N+](=O)[O-])o2)c(C)c1Br 2235607270 YVFIWTOLLOKPAW-CYBMUJFWSA-N 467.939 5.814 50 10 JKGE COc1c(Cl)cc(Br)cc1[C@@H](Cl)c1sc(C)c(C)c1Br 2237631746 NVOSUNGMWHRLCG-GFCCVEGCSA-N 459.030 6.880 50 10 JKGE CCOc1ccc(Br)cc1[C@H](Br)c1scc(Br)c1Cl 2264588967 GCYBIZVELFESEQ-NSHDSACASA-N 489.454 6.810 50 10 JKGE Clc1c(Br)sc(Br)c1[C@H](Br)C[C@H]1CCCCC12CC2 2264962462 VNDMKCNAYGBBLB-RKDXNWHRSA-N 491.514 7.723 50 10 JKGE COc1ccc(Cl)cc1[C@H](Br)c1c(F)cccc1I 2267737497 HCVCKMGKPBZORP-AWEZNQCLSA-N 455.492 5.577 50 10 JKGE CC(C)CCC[C@H](C)CCO[C@]1(CI)CCCN(C(=O)OC(C)(C)C)C1 2269404585 DYYPNJYIHVILJT-RXVVDRJESA-N 481.459 6.060 50 10 JKGE CC(C)(C1CCC1)[C@@H](Br)c1c(F)cc(Br)c(F)c1Br 2272736322 YDQSHVNYVOXBBY-ZDUSSCGKSA-N 460.982 6.752 50 10 JKGE CCCC[C@@H](CC)[C@@H](Br)c1c(F)cc(Br)c(F)c1Br 2272738628 IFKFYGLZZTWVOQ-PRHODGIISA-N 462.998 7.142 50 10 JKGE Brc1cc(Br)cc(C[C@H](Br)c2cc3sccc3s2)c1 2277887450 DXHKKEBFQLFIPQ-NSHDSACASA-N 481.072 7.167 50 10 JKGE FC(F)c1nc([C@@H](Br)Cc2cc(Br)cc(Br)c2)cs1 2277955379 JDORSVJXRROPAC-VIFPVBQESA-N 475.978 6.284 50 10 JKGE Brc1cc(Br)cc(C[C@@H](Br)C2CC(C3CCC3)C2)c1 2277957827 XLMDOTYYFMBOJR-SEEARECTSA-N 451.040 6.344 50 10 JKGE Fc1ccc([C@@H](Br)Cc2cc(Br)cc(Br)c2)cc1Cl 2277965462 LYVRMRPNYRDNKD-LBPRGKRZSA-N 471.389 6.683 50 10 JKGE CCOC(=O)c1c(NC=C(C#N)c2nc(-c3ccc(C4CCCCC4)cc3)cs2)sc(C)c1C 2296789951 DLVAAQLDXCILSY-UHFFFAOYSA-N 491.682 7.689 50 10 JKGE N#CC(=C(Nc1cccc(Cl)c1)SCc1cccc(F)c1)S(=O)(=O)c1ccccc1 2297349928 CSAFKMRRNKTYTM-UHFFFAOYSA-N 458.967 5.991 50 10 JKGE Brc1ccc(OCc2ccccc2)c([C@@H](Br)C[C@@]23CCC[C@@H]2C3)c1 2299490372 YBBZUVZONTZUKG-PBEJRMEISA-N 450.214 7.044 50 10 JKGE C[C@]12CO[C@]([C@H](Br)c3cc(Br)ccc3OCc3ccccc3)(C1)C2 2299502906 AODWTUMSMHHCOR-AQNXPRMDSA-N 452.186 6.033 50 10 JKGE Cl[C@H](c1c(Br)sc(Br)c1Br)[C@@H]1CC[C@@H]2C[C@H]1CO2 2312742192 MNWPGIUECVYAKZ-DHCFDGJBSA-N 479.459 6.131 50 10 JKGE Cc1ccc(OCCn2cc(C=C(C#N)C(=O)NCc3cccs3)c3ccccc32)cc1C 2313631145 CFIPMGOXIAZPRL-UHFFFAOYSA-N 455.583 5.622 50 10 JKGE N#CC(=Cc1ccc(OCc2ccc(Cl)cc2Cl)cc1)C(=O)Nc1cccc2ccccc12 2313730486 VQWKKXHUIARLBW-UHFFFAOYSA-N 473.359 7.271 50 10 JKGE C[C@@H]1O[C@@]2([C@@H](Br)c3cc(Br)ccc3OCc3ccccc3)CC[C@H]1C2 2314445895 QSZOZPWCWDDJOE-ACRWPFGISA-N 466.213 6.422 50 10 JKGE Fc1c(Cl)cccc1[C@@H](Br)c1cc(Br)ccc1OCc1ccccc1 2314490113 MFRVAJMHOLNNKH-LJQANCHMSA-N 484.590 7.305 50 10 JKGE CCc1ccc(N2C(=O)[C@@H](Cc3ccccc3)SC2=C(C#N)C(=O)Nc2ccc(C)cc2)cc1 2314591656 AOMNXLCJRKKAJP-RUZDIDTESA-N 467.594 5.622 50 10 JKGE CCOC(=O)c1c(-c2ccc(C)cc2C)csc1NC(=O)C(C#N)=Cc1ccc(C(C)C)cc1 2314793717 YIZOMTCXMFGZFH-UHFFFAOYSA-N 472.610 6.878 50 10 JKGE FC1(F)[C@H]2C[C@H]([C@@H](Br)c3sc(Cl)cc3I)CC[C@H]21 2316600769 KLNYRBFRDJRWNV-QGOVLLJGSA-N 467.544 6.124 50 10 JKGE Clc1cc(I)c([C@@H](Br)c2csc3c2CCCC3)s1 2316775113 PBGCQUKJNGJTQA-LBPRGKRZSA-N 473.626 6.431 50 10 JKGE C[C@@]1([C@@H](Br)c2sc(Cl)cc2I)CCCCC1(F)F 2316776589 DWSHZZMUBBNHHM-QWRGUYRKSA-N 469.560 6.658 50 10 JKGE C[C@@H]1CCC[C@@](CI)(OCc2cccc(I)c2)C1 2319032515 XXJJWPCXBQEEOZ-IUODEOHRSA-N 470.132 5.192 50 10 JKGE N#CC(=Cc1cccc(OC(=O)c2ccc(S(=O)(=O)N3CCCC3)cc2)c1)c1ccc(Cl)cc1 2320511390 SIHMXGQLPPAWSM-UHFFFAOYSA-N 492.984 5.408 50 10 JKGE Cc1sc2nc(SCC(=O)C(C#N)=C3Nc4ccccc4S3)nc(O)c2c1-c1ccccc1 2320729572 RJTZEVWNYDKQQC-UHFFFAOYSA-N 488.619 5.987 50 10 JKGE CCOc1cc(C(O)=C(C#N)c2nc(-c3cccc([N+](=O)[O-])c3)cs2)cc(OCC)c1OCC 2331232475 PYLVEONDLYMPPN-UHFFFAOYSA-N 481.530 5.864 50 10 JKGE CC(C)(C)c1ccc(C(=O)NCC(O)=C(C#N)c2nc(-c3ccc4c(c3)CCCC4)cs2)cc1 2331240068 LSESAIVAXUCAIN-UHFFFAOYSA-N 471.626 6.209 50 10 JKGE N#CC(=C(O)c1ccc(Cl)cc1[N+](=O)[O-])c1nc(-c2cccc(Br)c2)cs1 2331279130 MSFGQAGZQWJYHP-UHFFFAOYSA-N 462.712 6.084 50 10 JKGE Cc1ccc(N2C(=O)c3ccc(C(O)=C(C#N)c4nc(-c5cccs5)cs4)cc3C2=O)c(C)c1 2331326462 HGZUCAGJMKQSGZ-UHFFFAOYSA-N 483.574 6.239 50 10 JKGE COc1c(Cl)cc(Cl)cc1-c1csc(C(C#N)=C(O)c2ccccc2Br)n1 2331362558 ZVUWSTFHFXERCJ-UHFFFAOYSA-N 482.186 6.838 50 10 JKGE CCN(C[C@@](C)(CI)OC[C@@H]1C[C@H]1C1CCCCC1)C(=O)OC(C)(C)C 2332842245 QNMZSRIJVKPPNT-BBTUJRGHSA-N 479.443 5.670 50 10 JKGE COc1cc(Cl)ccc1[C@H](Br)c1ccc(OCc2ccccc2)cc1Br 2336039495 XHLJGMLEDXVEJG-OAQYLSRUSA-N 496.626 7.174 50 10 JKGE Fc1cccc(F)c1C[C@H](Br)c1cc(Br)ccc1OCc1ccccc1 2336075578 QIYDLCOLUOKQBV-SFHVURJKSA-N 482.162 6.985 50 10 JKGE CC1(C)COC[C@H]1[C@@H](Br)c1c(Br)cc(Cl)c(Cl)c1Cl 2336199841 GHEPVLXQFNHJGI-QUBYGPBYSA-N 451.413 6.518 50 10 JKGE Cc1cc(Br)c([C@H](Cl)c2csc(C)c2Br)c(C)c1Br 2343563375 IVXVJVGWPQIGCF-CQSZACIVSA-N 487.482 7.289 50 10 JKGE C[C@@H](OCc1ccc(I)c(Br)c1)c1nc(CCl)cs1 2350073414 OMZOHRGGDYLFLA-MRVPVSSYSA-N 472.573 5.527 50 10 JKGE Fc1cc(OCc2ccc(I)cc2)cc(Cl)c1CBr 2351683904 OECJDWMNOKWZLQ-UHFFFAOYSA-N 455.492 5.558 50 10 JKGE Clc1ccc(CN2CCC3(CCC(Br)CC3)C2)cc1I 2362374285 XAWPGKOIYULMAR-UHFFFAOYSA-N 468.604 5.474 50 10 JKGE Cc1nc(Br)c([C@@H](Cl)c2c(F)cc(Cl)c(Br)c2Cl)n1C 2362490988 YTDQBDSSJQIWPU-JTQLQIEISA-N 465.375 6.028 50 10 JKGE CCC[C@@H](CBr)CN1CC[C@@H](CCNC(=O)OC(C)(C)C)C[C@H]1C(F)(F)F 2362812488 BHNYWEIOAMUPLC-PMPSAXMXSA-N 459.391 5.355 50 10 JKGE Cc1cc(Br)c([C@H](Br)[C@@H]2COC3(C)CC2C3)c(C)c1Br 2362900312 KERJEXXNVYHGFY-LPDHVUOKSA-N 467.039 6.080 50 10 JKGE COc1c(Br)cc(C)c([C@H](Br)[C@@H]2CCOC[C@H]2C)c1Br 2365234331 XVBCHIITGZNREG-GIPNMCIBSA-N 471.027 5.637 50 10 JKGE Cc1scc([C@@H](Br)c2cc(Br)cc3c2O[C@@H](C)C3)c1Br 2369595777 GPGCCXCCMCYULT-WJWGPLDTSA-N 481.047 6.389 50 10 JKGE Cc1ccc2nc(N(/N=C/c3cccs3)C(=O)c3cccc(N4C(=O)CCC4=O)c3)sc2c1 9149370 KOWXYDYKRYERHK-AFUMVMLFSA-N 474.567 5.001 50 10 JKGE COc1ccc2nc(N(/N=C/c3cccs3)C(=O)c3cc(Cl)sc3Cl)sc2c1 9629245 QUERDNMUCILIAX-ZVBGSRNCSA-N 468.412 6.416 50 10 JKGE Cc1cccc(N/C(SCc2cccc(Cl)c2)=C(/C#N)S(=O)(=O)c2ccccc2)c1C 20325786 ARWAPPIRSKYLRO-WCWDXBQESA-N 469.031 6.469 50 10 JKGE CCCCCOc1ccc(/C=N/NC(=O)CCCC(=O)Nc2ccc(Br)cc2)cc1 22000382 PTJYLJMLOQAQID-KOEQRZSOSA-N 474.399 5.277 50 10 JKGE O=C(CSc1nc2ccccc2n1Cc1ccc(Cl)cc1)N/N=C\C(Cl)=C\c1ccccc1 33096974 MGTNBGFYTNJVJP-ZIYPGCQISA-N 495.435 6.212 50 10 JKGE CCCCOc1ccc(/C=C(/C#N)C(=O)Nc2scc(-c3ccc(F)cc3)c2C(=O)OCC)cc1 33595980 CIIBYMHGDYURQP-HKWRFOASSA-N 492.572 6.455 50 10 JKGE CCOC(=O)/C(C#N)=C1/S[C@@H](Cc2ccc(Cl)c(Cl)c2)C(=O)N1c1ccc(F)cc1 34890911 RXSDVIRMXYPBNU-XTFSCAMASA-N 465.333 5.122 50 10 JKGE N#C/C(=C/c1ccc(OCc2ccccc2Cl)c(Br)c1)C(=O)NC1CCCCC1 35202393 ONYSNYSFAJCHAA-PDGQHHTCSA-N 473.798 6.037 50 10 JKGE COc1ccc(CC(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@H]3c2ccc(C(C)(C)C)cc2)cc1 38649886 RXARKGHXHRHAMK-MHZLTWQESA-N 468.553 5.359 50 10 JKGE CCCCOc1ccc(C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@H]3c2ccc(F)cc2)cc1 38652751 XGEGOCUEVMNKHG-VWLOTQADSA-N 458.489 5.442 50 10 JKGE CC(C)c1ccc(Oc2ncnc(NNC(=O)c3ccc(Cl)cc3Cl)c2[N+](=O)[O-])cc1 40611049 FIXSYENMYNONOZ-UHFFFAOYSA-N 462.293 5.364 50 10 JKGE Cc1cccc(NC(=O)c2oc3c(c2C)/C(=N/NC(=O)c2ccccc2Br)CCC3)c1 40812922 MAFKGRFTLOSVRL-ZXVVBBHZSA-N 480.362 5.382 50 10 JKGE Cc1cc(OC(=O)c2oc3c(c2C)/C(=N/NC(=O)c2ccccc2O)CCC3)cc(C)c1Cl 40826545 MGUIOCDIZXYFHW-OVVQPSECSA-N 466.921 5.253 50 10 JKGE CCCCCOc1ccc(/C=N/NC(=O)CCCOc2ccc(C)cc2Br)cc1OC 40951221 FQLGICKNVNJZFV-YZSQISJMSA-N 491.426 5.644 50 10 JKGE N#C/C(=C/c1cc(Cl)ccc1OCc1cccc(Cl)c1)C(=O)Nc1cccc([N+](=O)[O-])c1 59245195 PYUWCJRZVQOHEX-YVLHZVERSA-N 468.296 6.026 50 10 JKGE C=CCOc1c(I)cc(/C=C(\C#N)C(=O)Nc2ccccc2C)cc1OCC 59474969 BDLHQKLXAGPURB-GZTJUZNOSA-N 488.325 5.109 50 10 JKGE Cc1ccc([C@@H](C(=O)NC2CCCCC2)N(CCc2ccc(Cl)cc2)C(=O)CCl)cc1 97914441 SUZDBSRCOQXAHJ-DEOSSOPVSA-N 461.433 5.449 50 10 JKGE COc1cc(C)c(Br)cc1[C@@H](Br)c1cc(Br)ccc1F 115867092 SYIBIIHZGZZBMJ-HNNXBMFYSA-N 466.970 6.152 50 10 JKGE Clc1ccc(C(CBr)(CBr)Cc2cccc(Br)c2)cc1 118876924 FMNZGFZKZMMCPS-UHFFFAOYSA-N 481.453 6.373 50 10 JKGE Fc1cccc(F)c1C[C@H](Br)c1cc(Br)sc1Br 122883560 RLNMQLAGKXAOOU-QMMMGPOBSA-N 460.963 6.230 50 10 JKGE COc1ccc(C[C@H](Br)c2csc(I)c2)cc1OC 124509948 UDKAGVKINMTHJI-NSHDSACASA-N 453.139 5.049 50 10 JKGE COc1cc(OC)c([C@H](Cl)c2cc(Br)c(Br)s2)c(OC)c1 128538731 QFLVPVQCIKESDM-CYBMUJFWSA-N 456.583 5.627 50 10 JKGE COc1c(Br)cc(Cl)cc1[C@H](Br)c1cc(C)cc(Br)c1 131968667 LVDVZHNSGDMAQY-CQSZACIVSA-N 483.425 6.666 50 10 JKGE CCOC(=O)c1nnn(-c2ccccc2)c1N=P(c1ccccc1)(c1ccccc1)c1ccccc1 139691490 DXLFQJQUFWWPFQ-UHFFFAOYSA-N 492.519 5.253 50 10 JKGE Clc1cc(Br)ccc1[C@@H](Br)c1csc2c(Br)cccc12 163505104 AYSPGCYXOBRVEL-CQSZACIVSA-N 495.461 7.564 50 10 JKGE CCOC(=O)c1c(NC(=O)/C(C#N)=C\c2ccc(-c3ccccc3)o2)sc2c1CC[C@@H](CC)C2 209398636 TWTNALLRISJBHJ-JFPYRBRCSA-N 474.582 6.245 50 10 JKGE CCCCOc1ccc(/C=C2\C(=O)N(CCc3ccccc3)C(=O)C(C#N)=C2C)cc1OCC 214350243 UICNRGWSIVNHOV-QJOMJCCJSA-N 458.558 5.099 50 10 JKGE CCOc1ccc(Br)cc1[C@@H](Br)c1ccc(Cl)cc1Br 233779023 DHZSLJBFBVTZJM-HNNXBMFYSA-N 483.425 6.748 50 10 JKGE Cc1sc(Br)cc1[C@H](Br)c1ccc(Cl)cc1Br 235823170 ZFPLSLANEHYLEQ-GFCCVEGCSA-N 459.428 6.719 50 10 JKGE C/C(C=O)=C\CC[C@H](C)[C@@H]1CC[C@]2(C)C3=C(CC[C@]12C)[C@]1(C)CCC(=O)C(C)(C)[C@@H]1CC3=O 257469888 KZOBOICRKKYGAQ-FVMXFZFESA-N 452.679 7.045 50 10 JKGE biogenic Fc1cccc([C@H](Br)c2cc(I)cc3c2OCC3)c1Cl 312411066 XACZSTMAGRKMLP-ZDUSSCGKSA-N 467.503 5.503 50 10 JKGE Cn1ncc([C@H](Br)c2cc(Br)c(Br)s2)c1Br 379202132 ILAAVRWXQLWNSZ-ZETCQYMHSA-N 493.844 5.253 50 10 JKGE Cc1ccc(Br)cc1[C@@H](Cl)c1cc(I)cc2c1OCC2 380151865 XIQRBQUOFZBEPY-OAHLLOKOSA-N 463.540 5.625 50 10 JKGE CC(C)(C)OC(=O)N1C[C@H](c2ccc(Cl)cc2Cl)[C@@H](CI)C1 382693120 OCHIWQHOTVZYRQ-GWCFXTLKSA-N 456.151 5.379 50 10 JKGE O=C(OCc1ccccc1)N1C[C@H](CI)[C@H](c2ccc(CCl)cc2)C1 382705760 FJJOGSZMKMZSSM-OALUTQOASA-N 469.750 5.213 50 10 JKGE Cc1cc(F)c([C@@H](Br)c2cc(Cl)ccc2I)cc1Cl 395581656 UFYWQCYMACXQSA-CQSZACIVSA-N 473.938 6.530 50 10 JKGE CC(C)(C)[Si](C)(C)OCc1ccc([C@@H]2Cc3ccccc3N(S(=O)(=O)c3ccccc3)C2)cc1 616669874 NYFKOBGPOQLLJQ-RUZDIDTESA-N 493.745 6.744 50 10 JKGE CCCOc1ccc([C@@H](Br)c2ncsc2Br)cc1Br 698651362 GVHMKGXTJNARPA-LLVKDONJSA-N 470.024 5.941 50 10 JKGE Cc1ccc([C@@H](Br)c2cccc(F)c2Br)c(C)c1Br 719539882 SVEREBQINSEXQJ-CQSZACIVSA-N 450.971 6.452 50 10 JKGE Clc1ncsc1CC(CBr)(CBr)c1ccc(Br)cc1 721329688 LRRGBALHVOKGKN-UHFFFAOYSA-N 488.470 5.829 50 10 JKGE Fc1cc(Br)c(Cl)cc1[C@@H](Cl)c1cccc(F)c1I 721690013 CBXRMEILBLQZOY-LBPRGKRZSA-N 477.901 6.314 50 10 JKGE Cc1ccccc1-n1c(C)c(Br)c(C=NNC(=O)CSc2ccccc2)c1C 1084405819 IXIXCQDEIJVVCI-UHFFFAOYSA-N 456.409 5.407 50 10 JKGE CCCCOc1ccc(NC(=O)c2oc3c(c2C)C(=NNC(=O)c2ccc(OC)cc2)CCC3)cc1 1772745714 IZNRIPCRHBWZQG-UHFFFAOYSA-N 489.572 5.498 50 10 JKGE COc1ccc2c(=O)c(-c3ccc(Cl)cc3Cl)c(C(=O)Nc3ccc(SC#N)cc3)oc2c1 1859765767 HYALXTVGDCNSAV-UHFFFAOYSA-N 497.359 6.601 50 10 JKGE O=C(/C=C/c1ccc(Cl)cc1Cl)N/N=C1\C(=O)N(Cc2ccccc2Cl)c2ccccc21 1860822602 IDXZERUPSHTHMV-ACVJZIIGSA-N 484.770 5.727 50 10 JKGE N#CC1=C(N)Oc2c(c(-c3ccccc3)nn2-c2cccc(Cl)c2)[C@@H]1c1c(F)cccc1Cl 1865682616 SWXHCTPFCPUSAD-FQEVSTJZSA-N 477.326 6.203 50 10 JKGE Cc1nn(Cc2ccc(Cl)c(Cl)c2)c2c1[C@@H](c1ccc(C(C)C)cc1)C(C#N)=C(N)O2 1865686343 VAANGTZNCUYATB-QFIPXVFZSA-N 453.373 5.888 50 10 JKGE COc1cc([C@@H]2C(C#N)=C(N)Oc3c2c(C)nn3-c2ccccc2)ccc1OCCc1ccccc1 1865688680 YFIRLOWATDQSBJ-HHHXNRCGSA-N 478.552 5.029 50 10 JKGE C=CCOc1ccccc1[C@@H]1C(C#N)=C(N)Oc2c1c(-c1ccccc1)nn2Cc1cc(C)ccc1C 1865691658 XVAIMJCAEFCTLL-HHHXNRCGSA-N 488.591 5.998 50 10 JKGE COc1ccc(-c2nn(Cc3c(F)cccc3Cl)c3c2[C@H](c2cccnc2)C(C#N)=C(N)O3)cc1 1865700112 LFJSKFGJKZCTLG-JOCHJYFZSA-N 487.922 5.013 50 10 JKGE COc1ccc(-c2nn(-c3ccc(C)cc3)c3c2[C@H](c2ccc(F)cc2)C(C#N)=C(N)O3)cc1 1865707888 IQZQBHXQMVCFSX-HSZRJFAPSA-N 452.489 5.214 50 10 JKGE Cc1cccc([C@H]2C(C#N)=C(N)Oc3c2c(C(F)(F)F)nn3-c2ccc(Br)cc2)c1 1865711270 UQSJBJKXWFOVEY-INIZCTEOSA-N 475.268 5.180 50 10 JKGE N#CC1=C(N)Oc2c(c(-c3ccccc3)nn2-c2cccc(Cl)c2)[C@H]1c1ccc([N+](=O)[O-])cc1 1865712936 MJGNAMLWWUFJGF-NRFANRHFSA-N 469.888 5.319 50 10 JKGE Cc1nn(-c2cccc3ccccc23)c2c1[C@@H](c1ccc(Br)cc1)C(C#N)=C(N)O2 1865714391 JCPLCCUJBKRXIZ-QFIPXVFZSA-N 457.331 5.315 50 10 JKGE Cc1oc(-c2ccc(C(C)(C)C)cc2)nc1CC(=O)N[C@@H](C)C(=O)Nc1ccc(SC#N)cc1 1866675903 QLVISVFVNZWTAU-INIZCTEOSA-N 476.602 5.207 50 10 JKGE COc1cccc(-c2csc(/C(C#N)=C(O)/C(=C/c3ccc(OC(C)C)cc3)c3ccccc3)n2)c1 1872744514 WAIMZWQKQOAELV-FQXDURGBSA-N 494.616 7.639 50 10 JKGE N#C/C(=C(/O)CCc1nc2ccccc2[nH]c1=O)c1nc(-c2ccc3ccccc3c2)cs1 1872745169 CNUYQGFKOGPPBG-CLCOLTQESA-N 450.523 5.625 50 10 JKGE CC(C)c1ccccc1O[C@@H](C)/C(O)=C(\C#N)c1nc(-c2ccc(Oc3ccccc3)cc2)cs1 1872753576 DCUBNZSQYYCJQF-QSPIDWHTSA-N 482.605 7.986 50 10 JKGE CCCOc1ccc(-c2csc(/C(C#N)=C/c3cc(OC)ccc3OC)n2)cc1OCCC 1872790230 SZDHGXSHBZWWIJ-DEDYPNTBSA-N 464.587 6.469 50 10 JKGE CCCCCOc1ccc(/C=C(\C#N)c2nc(-c3ccc(OC)c(F)c3)cs2)cc1OC 1872792155 HPSYMZNXRYCZSU-XDHOZWIPSA-N 452.551 6.600 50 10 JKGE COCc1cc(Br)c([C@H](Br)c2c(C)nsc2Br)s1 1912934254 WJYOAODIPNUTJG-SECBINFHSA-N 476.053 5.669 50 10 JKGE O=S(=O)(c1ccc(Br)cc1Cl)N(Cc1ccccc1)[C@H](CCl)C1CC1 1915143211 LLGOFLFCJMVCJS-QGZVFWFLSA-N 463.224 5.311 50 10 JKGE Clc1c(Br)sc(Br)c1[C@@H](Br)[C@@H]1CCCc2ccccc21 1923073593 YHVLPFCJFUKWAL-PWSUYJOCSA-N 499.493 7.483 50 10 JKGE Clc1sc(Br)c(Cl)c1[C@@H](Cl)c1cccc(I)c1 1925568783 MLGQIECIZNHHHJ-QMMMGPOBSA-N 482.395 6.750 50 10 JKGE Cc1cccc(Br)c1[C@@H](Br)c1c(Cl)sc(Br)c1Cl 1925590229 XBCJWUDSYFHFCD-SECBINFHSA-N 493.873 7.373 50 10 JKGE CC(C)[C@H](CBr)N(Cc1ccccc1)Cc1cc(Br)ccc1Cl 1979519271 DLOPSTRHWKEXPL-IBGZPJMESA-N 459.653 6.524 50 10 JKGE Clc1cccc(Br)c1[C@@H](Cl)c1cc(Br)sc1Br 2003557400 DWXFVZGDLGIACA-JTQLQIEISA-N 479.846 7.017 50 10 JKGE O=C(c1ccc(O)c(Br)c1)N(Cc1ccccc1)C1(CBr)CCC1 2003591942 SIKAWBJMRITQHC-UHFFFAOYSA-N 453.174 5.115 50 10 JKGE Cc1nc([C@H](Cl)c2ccc(Br)cc2Br)c(Br)s1 2024283756 SFNWELHBYKZJJG-SECBINFHSA-N 460.416 6.067 50 10 JKGE Brc1ccc([C@@H](Br)Cc2ccccc2)c(I)c1 2026219318 WBZJSYVXSNDIMK-ZDUSSCGKSA-N 465.954 5.732 50 10 JKGE CCc1cc(Br)c([C@@H](Br)c2ccc(C)cc2Br)s1 2029235244 OWZBZRQIQWFLAF-ZDUSSCGKSA-N 453.037 6.628 50 10 JKGE CS(=O)(=O)c1csc([C@@H](Br)c2csc(Br)c2Br)c1 2032954072 VSNCNRSAIWXHDK-QMMMGPOBSA-N 495.077 5.222 50 10 JKGE Brc1cccc2c([C@@H](Br)c3cscc3OCc3ccccc3)csc12 2038686667 RGBLCPINDDRYGW-LJQANCHMSA-N 494.273 7.789 50 10 JKGE Cc1cc([C@H](Br)[C@@H](C)c2ccncc2Br)c(Br)s1 2039498461 KGOWQOKTZRVRRI-QPUJVOFHSA-N 454.025 6.216 50 10 JKGE Cc1cccn2c(=O)c(C=C(C#N)c3nc4ccccc4s3)c(Oc3ccc(F)cc3)nc12 2040528003 IPZHFKHGSYRBNT-UHFFFAOYSA-N 454.486 5.608 50 10 JKGE CC(C)c1ccc([C@](C)(CI)OCCCOCc2ccccc2)cc1 2056734403 WQNUVACPNMJYDD-QFIPXVFZSA-N 452.376 6.084 50 10 JKGE Brc1cc(Br)c([C@H](Br)[C@@H]2C[C@@H]2C2CCOCC2)s1 2079394583 YLXJJEOQMPOEMH-KBVBSXBZSA-N 459.041 5.772 50 10 JKGE CC1(C)CCN(Cc2cc(Cl)ccc2I)C[C@H]1CBr 2092250228 CQNZLFVGTQTDBV-GFCCVEGCSA-N 456.593 5.188 50 10 JKGE C[C@H]1CCO[C@H]1CC(CBr)(CBr)c1ccccc1Br 2096124050 DMXWPAKUEMGKDS-FZMZJTMJSA-N 455.028 5.292 50 10 JKGE Cc1cc(Br)c([C@H](Br)[C@]2(C)C[C@H]2C(F)(F)F)cc1Br 2100652363 BKAUEINLXCMHOJ-GRYCIOLGSA-N 464.945 6.545 50 10 JKGE CC(C)CN1C[C@H](Cc2c(Br)cccc2Br)[C@@H](Br)C1 2100722123 KIOYEIHFQYDSDE-NHYWBVRUSA-N 454.044 5.105 50 10 JKGE Fc1ccc(I)cc1[C@H](Br)c1ccc(F)c(Cl)c1F 2113350937 KHSWUIZTYRFKHY-LLVKDONJSA-N 461.446 5.846 50 10 JKGE Cc1cc(Br)c(CBr)c(Oc2ccc(Br)cc2F)c1 2116823962 HQXOMRRSJVTLPU-UHFFFAOYSA-N 452.943 6.346 50 10 JKGE Cc1c(CBr)cc(Cl)cc1S(=O)(=O)N(Cc1ccccc1)[C@@H](C)C1CC1 2123269055 PGKICWWOKPSJPW-HNNXBMFYSA-N 456.833 5.533 50 10 JKGE CC12CCC([C@@H](Br)c3cc(Br)ccc3Br)(CC1)CO2 2133546383 RQBGZRDWXMXTMF-NFOMZHRRSA-N 453.012 5.997 50 10 JKGE COc1cc(F)c([C@H](Br)c2nc(C)sc2Br)cc1Br 2138148057 JDOHGOXMIPPMEP-JTQLQIEISA-N 473.987 5.609 50 10 JKGE Cc1c(Br)ccc([C@H](Cl)c2ccc(Br)c(F)c2)c1Br 2138863932 NKVJZHWQEXAXQO-CQSZACIVSA-N 471.389 6.750 50 10 JKGE FC(F)(C1CCOCC1)[C@H](Br)c1ccc(Br)cc1Br 2138871095 MEOIEBCFNRMKJE-GFCCVEGCSA-N 462.954 5.710 50 10 JKGE Cc1cccc(C[C@@H](CBr)Cc2cccc(Br)c2Br)c1 2148754930 XBJHWROOQCWOIL-CQSZACIVSA-N 461.035 6.316 50 10 JKGE C[C@H](Cl)c1nc2cc(I)ccc2n1[C@H]1CN(Cc2ccccc2)C(C)(C)C1 2154535564 RYTJXYVITWVMKI-MAUKXSAKSA-N 493.820 6.166 50 10 JKGE Cc1cc(C)c([C@@H](Br)c2c(Br)sc(C)c2C)c(C)c1Br 2157251679 MNJGYIZNUBMNJP-OAHLLOKOSA-N 481.091 7.300 50 10 JKGE CC(C)(C)OC(=O)NC[C@@H]1CN(C[C@@H](CBr)C(C)(C)C)CC[C@H]1C(F)(F)F 2163059555 UNNKDGWPAAYAND-RBSFLKMASA-N 459.391 5.069 50 10 JKGE Cc1cc(Br)c([C@@H](Br)[C@@H]2CCn3nccc3C2)cc1Br 2165245685 LOMYBPJYYZQTSL-BMIGLBTASA-N 463.011 5.415 50 10 JKGE COc1c(CBr)cc(Cl)cc1S(=O)(=O)N(Cc1ccccc1)[C@H](C)C1CC1 2179829144 XQGGRRUQVQRZIG-CQSZACIVSA-N 472.832 5.233 50 10 JKGE COc1cc(Cl)c([C@@H](Br)c2cc3cscc3s2)cc1Br 2202358078 YQIFIBDQBKQIIN-CQSZACIVSA-N 452.620 6.872 50 10 JKGE COc1cc(Cl)c([C@H](Cl)c2c(Cl)cccc2Br)cc1Br 2202366031 RSUYEIKPKOILOP-AWEZNQCLSA-N 459.392 6.855 50 10 JKGE FC1(F)C2(CC2)C12CC([C@H](Br)c1ccc(Br)cc1Br)C2 2203701895 CJPZVYGFFYETAP-ZAQGZADTSA-N 470.977 6.473 50 10 JKGE Brc1cccc(Br)c1CN1CC[C@@H]2CC[C@H](Br)C[C@H]2C1 2204116432 QCHOHGBDDJCCIJ-AVGNSLFASA-N 466.055 5.597 50 10 JKGE COc1c(Br)cc(C)cc1[C@H](Cl)c1ccc(I)c(C)c1 2207096752 MCBBGPHHJBIICW-OAHLLOKOSA-N 465.556 6.007 50 10 JKGE Cc1cc([C@H](Cl)c2cc(Br)c3c(c2)CCO3)ccc1I 2207112059 VSSQYRSUXNHBQE-HNNXBMFYSA-N 463.540 5.625 50 10 JKGE Cc1c(Br)sc([C@@H](Cl)c2cc(Br)c(Br)s2)c1C 2213623841 GKFXYKCATSOXEL-QMMMGPOBSA-N 479.484 7.042 50 10 JKGE Clc1cc(Br)ccc1C[C@H](Br)c1sncc1Br 2215853727 JPDABIALSBIWBU-QMMMGPOBSA-N 460.416 6.000 50 10 JKGE CCS(=O)(=O)C[C@@H](Br)c1c(Br)cc(Cl)c(Cl)c1Cl 2217610064 FKMPGBHXHZPGEZ-ZCFIWIBFSA-N 459.414 5.280 50 10 JKGE CCOCc1cc(Br)c([C@@H](Br)c2sncc2Br)s1 2217988639 GRDCYGRTSTYKNZ-SECBINFHSA-N 476.053 5.750 50 10 JKGE Br[C@@H](c1csc(I)c1)c1ccc([C@H]2CCOC2)s1 2223715192 CEKARIWRYDGYLW-SDBXPKJASA-N 455.180 5.402 50 10 JKGE Cc1cc([C@H](Cl)c2c(Br)cc(Cl)c(Cl)c2Cl)sc1Br 2224316185 BCJBZWBQISLAOI-JTQLQIEISA-N 483.867 7.870 50 10 JKGE CCOCc1cc(Br)c([C@H](Br)c2c(Br)c(C)nn2C)s1 2233020355 WQYCRJDEHTVWSL-LLVKDONJSA-N 487.055 5.336 50 10 JKGE COc1c(Br)cc(C)cc1[C@@H](Br)c1sc(C)c(Br)c1C 2234463657 HWJRZZQBJSZOFR-CYBMUJFWSA-N 483.063 6.691 50 10 JKGE Brc1ccc(Br)c([C@H](Br)c2ccc([C@H]3CCOC3)s2)c1 2240447527 FWDUIRSQYXRBMA-VFZGTOFNSA-N 481.047 6.261 50 10 JKGE Cc1cc(Br)c([C@H](Br)c2scc(Br)c2Cl)s1 2242672770 KOSOCNXMOBZYFX-ZETCQYMHSA-N 465.457 6.781 50 10 JKGE CC[C@@H](Br)CN(Cc1ccccc1)C(=O)c1cc(Br)c(F)cc1C 2249338082 YSJHHDAGIQWSPP-OAHLLOKOSA-N 457.181 5.713 50 10 JKGE Clc1cc([C@H](Br)Cc2cc(Br)cc(Br)c2)cs1 2252837054 JWJCHNMBGWYFMN-LLVKDONJSA-N 459.428 6.605 50 10 JKGE Fc1cc(Cl)c([C@@H](Br)c2scc(Br)c2Cl)cc1Cl 2253597806 GZZDGZQJBDLMKH-SECBINFHSA-N 453.385 7.094 50 10 JKGE CCc1cc([C@@H](Cl)c2cccc(F)c2I)sc1Br 2256065538 UIUONAGFGOUASM-NSHDSACASA-N 459.549 6.145 50 10 JKGE Clc1cc(Br)c([C@H](Br)c2cocc2Br)c(Cl)c1Cl 2258146234 CSDOHRLNKGJPNK-SECBINFHSA-N 498.223 7.249 50 10 JKGE Cc1cc(Cl)c(Cl)cc1[C@@H](Br)Cc1ccccc1I 2264361919 UWTWKFVQANSAGS-LBPRGKRZSA-N 469.975 6.585 50 10 JKGE C[C@@H](Cl)c1nc2cnc(C3CC3)nc2n1CCCN(Cc1ccccc1)Cc1ccccc1 2271064696 DSDUWVRDINIAHU-HXUWFJFHSA-N 460.025 6.096 50 10 JKGE C[C@@H]([C@H](Br)c1c(F)cc(Br)c(F)c1Br)[C@H]1CCCO1 2272728589 LBSDQAMENLVCMA-CGYDSVCVSA-N 462.954 5.741 50 10 JKGE Fc1cc(Br)c(F)c(Br)c1[C@H](Br)C(F)(F)CC1CC1 2272747989 PVHWZFHJRULJKT-NSHDSACASA-N 468.908 6.361 50 10 JKGE Cc1cc([C@@H](Br)c2c(F)cc(Br)c(F)c2Br)c(C)o1 2272850566 WTLOAKCCCWNXMQ-LLVKDONJSA-N 458.922 6.184 50 10 JKGE Fc1cccc(Br)c1[C@@H](Cl)Cc1cc(Br)cc(Br)c1 2277963234 RKTCTCWFCNAGOS-LBPRGKRZSA-N 471.389 6.636 50 10 JKGE Cc1cc(Br)c([C@@H](Br)c2c(C)cccc2Br)c(C)c1F 2279143903 IIOBUOKEWANGTC-HNNXBMFYSA-N 464.998 6.760 50 10 JKGE CC(C)c1cc(Br)cc([C@H](Br)Cc2ncccc2Br)c1 2280678205 BFSPGJVOJOYRFU-OAHLLOKOSA-N 462.023 6.409 50 10 JKGE Cc1cc([C@@H](Br)c2cc(Br)c(F)cc2C)c(C)cc1Br 2285938946 IMZDAMCPOBIGCU-MRXNPFEDSA-N 464.998 6.760 50 10 JKGE C[C@@H]1C[C@@H]2C[C@@H]2C[C@@H]1[C@@H](Br)c1c(F)cc(Br)c(F)c1Br 2288373875 NIIHTDPZLBVZON-ZYCKWHBGSA-N 472.993 6.608 50 10 JKGE CCOc1cccc(NC(=O)C(C#N)=Cc2ccc(COc3ccc(Cl)c(Cl)c3)c(OC)c2)c1 2294953971 QLWYBTXIDHZOHY-UHFFFAOYSA-N 497.378 6.525 50 10 JKGE COc1c(Br)cc(Cl)c(C)c1[C@H](Br)c1cn(C)nc1Br 2295263644 WGHQPIDPSDLGNG-LLVKDONJSA-N 487.417 5.400 50 10 JKGE COc1ccc(Br)cc1[C@H](Cl)c1cc2sc(Br)cc2s1 2295405643 DPPMZHAUJAGANO-AWEZNQCLSA-N 452.620 6.825 50 10 JKGE CSc1ccc(C=C2CN(C(C)C)CC3=C2OC(N)=C(C#N)[C@@H]3c2ccc(SC)cc2)cc1 2297504933 ZGKQIICFGDVMQM-VWLOTQADSA-N 475.683 6.000 50 10 JKGE COc1ccc(C=C(C#N)C(=O)Nc2ccc(C)c(C)c2)cc1Oc1nc(Cl)ncc1F 2297559608 UPPFHQYXQUPUTI-UHFFFAOYSA-N 452.873 5.233 50 10 JKGE CCC[C@H](C(C)C)[C@@H](Br)c1cc(Br)ccc1OCc1ccccc1 2299505799 ZWKVLKYYBQGVOG-WIYYLYMNSA-N 454.246 7.536 50 10 JKGE Brc1cc(OCc2ccccc2)ccc1[C@H](Br)[C@H]1CC12CCCC2 2299512484 ZTNSQBNJDOKHIE-QUCCMNQESA-N 450.214 7.044 50 10 JKGE C[C@@H](Br)CCCN(C)Cc1ccc(I)c(Br)c1 2306219250 KCOJTQSXRSVYPI-SNVBAGLBSA-N 475.006 5.049 50 10 JKGE N#CC(=Cc1cc(Br)ccc1OCc1cccc(F)c1)C(=O)Nc1cccc(Cl)c1 2313631909 YTBIIDOQSLMKBF-UHFFFAOYSA-N 485.740 6.366 50 10 JKGE CCO[C@@H]1CC[C@@H]([C@@H](Br)c2ccc(OCc3ccccc3)cc2Br)C1 2314447089 WQSZTIMHSKPPOW-CBGDNZLLSA-N 468.229 6.669 50 10 JKGE Cc1c(Cl)sc(Cl)c1[C@@H](Br)c1ccc(F)cc1I 2314515726 SINYBWPUGYXQGF-JTQLQIEISA-N 479.967 6.591 50 10 JKGE COc1ccc(Br)cc1C=C1Oc2c(ccc(OCc3ccc(CCl)cc3)c2C)C1=O 2325339816 RNJFGWNTWVFDDJ-UHFFFAOYSA-N 499.788 6.700 50 10 JKGE CCCCCCOc1ccc(C=NNC(=O)[C@@H](NC(=O)OC(C)(C)C)[C@@H](C)CC)cc1OC 2328821186 ZYVJGDUPQOGAOQ-AVRDEDQJSA-N 463.619 5.044 50 10 JKGE COc1cc(C=C(C#N)c2nc3ccccc3[nH]2)ccc1OCc1ccc(Cl)c(Cl)c1 2331020426 HUYLWRMLXQYOFP-UHFFFAOYSA-N 450.325 6.521 50 10 JKGE N#CC(=C(O)CCCN1C(=O)c2ccccc2C1=O)c1nc(-c2cccc3ccccc23)cs1 2331339248 RQDODQJASDFXEV-UHFFFAOYSA-N 465.534 5.832 50 10 JKGE CCOC(=O)Oc1ccc(C(O)=C(C#N)c2nc(-c3ccc(OC)c(C)c3C)cs2)cc1 2331361299 GINDNZMKXJSFKF-UHFFFAOYSA-N 450.516 5.921 50 10 JKGE N#CC(=Cc1c(OCc2ccccc2)ccc2ccccc12)c1nc(-c2ccccc2Cl)cs1 2331430620 NSKOLHQMRARMGU-UHFFFAOYSA-N 479.004 8.260 50 10 JKGE Cc1c(Cl)sc(Cl)c1[C@@H](Br)c1c(F)cc(Br)cc1F 2336094570 UIWSRCJKHAWSDP-SNVBAGLBSA-N 450.957 6.888 50 10 JKGE CCC[C@H](C(C)C)[C@@H](Br)c1c(Cl)cc(Br)c(F)c1Br 2337082787 QFJGKLIVXKQFRW-PRHODGIISA-N 479.453 7.512 50 10 JKGE Fc1cccc(F)c1C[C@H](Br)c1ccc(Cl)cc1I 2340056887 HDWMCUVCMPYPPT-NSHDSACASA-N 457.483 5.902 50 10 JKGE Brc1ccc(OCc2ccccc2)c([C@H](Br)c2ccc3ccccc3c2)c1 2361179212 UKMYDYGOGKUQKO-XMMPIXPASA-N 482.215 7.666 50 10 JKGE Brc1ccc(OCc2ccccc2)c([C@H](Br)[C@@H]2C[C@@H]3CCCCCC[C@@H]32)c1 2361191633 SCVTUIWFXNRBJZ-IKQBDLNTSA-N 492.295 8.071 50 10 JKGE Fc1c(Br)cc(Cl)c([C@H](Br)CC23CCC(CC2)C3)c1Br 2362236952 QTHCWKZMQUARCO-IXZKOCCXSA-N 489.448 7.411 50 10 JKGE Fc1c(Br)cc(Cl)c([C@@H](Br)[C@H]2CC23CCOCC3)c1Br 2362238441 VRXLXZRNYKJUJV-HQJQHLMTSA-N 491.420 6.257 50 10 JKGE Cc1ccc(Cl)cc1[C@@H](Br)c1c(C)cc(Br)c(F)c1Br 2365185024 HAIXHSBDFNZCCZ-CYBMUJFWSA-N 485.416 7.105 50 10 JKGE COC(C)(C)C1(CO[C@@H](CI)c2cccc(Br)c2)CC1 2369667503 NZIDDIQNVZDUMW-AWEZNQCLSA-N 453.158 5.147 50 10 JKGE Cc1cc(Br)c(F)c(Br)c1[C@@H](Br)[C@H]1C[C@@H](C(F)(F)F)C1 2380889630 MNYVLPWZBIPWBF-PJKMHFRUSA-N 482.935 6.684 50 10 JKGE Cc1cc(Br)c(C(C)C)cc1[C@@H](Br)c1cc(Cl)sc1Cl 2380946115 DEGAEDAZVMVGDR-CQSZACIVSA-N 457.058 7.734 50 10 JKGE Cc1ccc(CBr)c(OCc2ccc(F)c(Br)c2)c1Br 2381135282 OFQHDYZCXWIHNC-UHFFFAOYSA-N 466.970 6.133 50 10 JKGE N#C/C(=C\c1ccc(Oc2ccc(C(F)(F)F)cn2)cc1)S(=O)(=O)c1ccc(Cl)cc1 6088173 LYHRVXKAOKYOIR-YBFXNURJSA-N 464.852 5.884 50 10 JKGE CC[C@@H](C)c1ccccc1OCC(=O)NNC(=O)c1cc(Br)ccc1OCCC(C)C 14650650 YTBYMKQFWSBCII-QGZVFWFLSA-N 491.426 5.228 50 10 JKGE N#C/C(=C/c1cccc(OC(=O)/C=C/c2ccc(OCc3ccccc3)cc2)c1)c1ccccc1F 31902853 HTRGZKOAVJICSF-VPVBWMRLSA-N 475.519 7.088 50 10 JKGE N#C/C(=C/c1cc(Br)ccc1OCc1ccc(F)cc1)C(=O)Nc1cccc([N+](=O)[O-])c1 33385949 ANWONUZZQQBNJL-YVLHZVERSA-N 496.292 5.621 50 10 JKGE CCCCOC(=O)c1c(NC(=O)/C(C#N)=C\c2cccc3ccccc23)sc2c1CCCC2 33922981 VIJNWSVQMHFKMS-SILNSSARSA-N 458.583 6.283 50 10 JKGE CCCCCCOc1ccc(/C=C(/C#N)C(=O)Nc2sc3c(c2C#N)CCCC3)cc1OC 34876686 QWSNVZWWJJIUMF-RGEXLXHISA-N 463.603 6.012 50 10 JKGE CCOc1ccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4ccc(Cl)cc4)ccc32)cc1OC 38659465 GBZNABVQSSUQDD-XMMPIXPASA-N 476.916 5.185 50 10 JKGE Cc1ccc(-c2ccc(/C=C(\C#N)c3nc(-c4ccc([N+](=O)[O-])cc4)cs3)o2)c([N+](=O)[O-])c1 39885085 MOYLRUKCJWSEOJ-LFIBNONCSA-N 458.455 6.259 50 10 JKGE Cc1c(C(=O)Nc2cc(Cl)ccc2Cl)oc2c1/C(=N/NC(=O)c1ccccc1O)CCC2 40826451 YBUGYGAXZWEXBQ-JVWAILMASA-N 472.328 5.323 50 10 JKGE O=C(CSc1c(Cl)c(Cl)c(Cl)c(Cl)c1Cl)N/N=C/c1ccccc1[N+](=O)[O-] 59165083 SXQPNYPHPNPLBJ-IGCPIRJNSA-N 487.579 6.104 50 10 JKGE Cc1cc(/C=C(/C#N)C(=O)OCC(=O)Nc2nc(-c3cc(F)ccc3F)cs2)c(C)n1CC(C)C 96508111 BQLIESUPCNIFPV-LSCVHKIXSA-N 498.555 5.252 50 10 JKGE Cc1nn(C)c(C[C@H](CBr)Cc2ccc(Br)cc2)c1Br 97183186 NJSWIDVXXCGATQ-GFCCVEGCSA-N 465.027 5.050 50 10 JKGE CCCCOc1ccc([C@@H](C(=O)NC2CCCCC2)N(Cc2ccc(F)cc2)C(=O)CCl)cc1 97915101 PYDBVAHQPRCGQC-SANMLTNESA-N 489.031 5.762 50 10 JKGE N#C/C(=C/Nc1cccc([N+](=O)[O-])c1)c1nc(-c2cc3cc(Br)ccc3oc2=O)cs1 100482259 YUBHHUGNIWSYSS-RAXLEYEMSA-N 495.314 5.564 50 10 JKGE Cc1ccc(N2C(=O)[C@H](Cc3ccccc3)S/C2=C(/C#N)C(=O)N[C@H](C)c2ccccc2)cc1C 101244064 RZFUGSDTMPLLSM-PQJBJRQRSA-N 481.621 5.607 50 10 JKGE COc1cc(/C=C2/C(=O)N([C@H](C)c3ccccc3)C(=O)C(C#N)=C2C)ccc1OCCC(C)C 101337848 YCVBMKMJDMKLQR-KMUCBOENSA-N 458.558 5.474 50 10 JKGE CCOc1ccc2nc(NC(=O)/C(C#N)=C\c3cccn3CCOc3ccccc3OC)sc2c1 102443537 TYHSUZJYMRDDKF-SDXDJHTJSA-N 488.569 5.130 50 10 JKGE CC(C)(C)c1ccc([C@H](Br)c2cc(Br)sc2Br)cc1 109870048 ZBIFIEBADLTNBN-ZDUSSCGKSA-N 467.064 7.055 50 10 JKGE FC(F)(F)C(F)(F)[C@@H](Br)c1cc(Br)c(Br)s1 128288345 XFQIRXADTYDFQF-BYPYZUCNSA-N 452.862 5.907 50 10 JKGE O=c1[nH]c2cc(Br)c([C@@H](Cl)c3cc(Br)ccc3Br)cc2[nH]1 161100136 GUDOPNYWZOHVRJ-ZDUSSCGKSA-N 495.396 5.472 50 10 JKGE Fc1cc(Br)ccc1[C@H](Br)c1csc2c(Br)cccc12 163510252 XPKPOKYYAIXMFB-AWEZNQCLSA-N 479.006 7.050 50 10 JKGE CCCCCCCCCOc1ccc(/C=N/NC(=O)c2cc3ccccc3n2C)c(Cl)c1 169926023 SSMSJXOKMQSISI-TURZUDJPSA-N 454.014 6.725 50 10 JKGE COc1ccccc1[C@H]1C(C#N)=C(N)Oc2cc(OC(=O)/C=C\c3ccc(C(C)(C)C)cc3)ccc21 205641451 VCJLGNVZLVEXSO-IBYGJLRWSA-N 480.564 5.830 50 10 JKGE Cc1ccc2nc(-c3ccc(N/C=C(/C#N)C(=O)Nc4ccc(N)cc4Cl)cc3)sc2c1 217253052 OGRGMQIVYZWPBX-SSZFMOIBSA-N 459.962 5.965 50 10 JKGE Cc1cc(C)c(C)c([C@@H](Cl)c2cc(I)ccc2Br)c1C 235819852 CRQIRLIOKCMTCJ-KRWDZBQOSA-N 463.584 6.616 50 10 JKGE CC(=NNC(=O)c1c[nH]c2ccccc12)c1cccc(NC(=O)COc2ccc(Cl)cc2Cl)c1 254347350 CBYSLOQIZHQMBE-UHFFFAOYSA-N 495.366 5.646 50 10 JKGE CCn1c2ccccc2c2cc(NC(=O)CC(C)=NNC(=O)c3cc4ccccc4cc3O)ccc21 254874282 IUPDKJFCAYJBSB-UHFFFAOYSA-N 478.552 5.808 50 10 JKGE CN(Cc1ccccc1)CC(C)(C)n1c(CCCl)nc2cc(F)c(Br)cc21 379640341 UDFIBBRHURNBBE-UHFFFAOYSA-N 452.799 5.586 50 10 JKGE Fc1cc2nc(CCl)n(CCCN(Cc3ccccc3)Cc3ccccc3)c2cc1Cl 390680036 XBQJYVOPHZRIPY-UHFFFAOYSA-N 456.392 6.660 50 10 JKGE C[C@H]1CN(Cc2ccccc2)CC[C@H]1n1c(CCl)nc2cc(I)ccc21 398188631 JNSGLSZNSNUXIS-HNAYVOBHSA-N 479.793 5.463 50 10 JKGE CCCC(CBr)(CBr)Cc1cc(Cl)ccc1I 405280415 BDLIVIYUYYFSQU-UHFFFAOYSA-N 494.436 6.063 50 10 JKGE CC(C)(C)OC(=O)NCCN1CCOCC[C@H]1c1cccc(CO[Si](C)(C)C(C)(C)C)c1 616597250 GMLSCIBZOVAOJJ-QFIPXVFZSA-N 464.723 5.497 50 10 JKGE CC(C)(C)[Si](C)(C)OCc1ccccc1[C@H]1CCCCCN1S(=O)(=O)c1ccccc1 616624364 FEWJZKZEGCOAJR-XMMPIXPASA-N 459.728 6.514 50 10 JKGE C[C@@H]1CN(Cc2ccccc2)CC[C@H]1n1c(CCl)nc2ccc(F)c(Br)c21 689729808 FBSUGSJKWWKFIV-RDTXWAMCSA-N 450.783 5.760 50 10 JKGE O=C1COc2ccc([C@H](Br)c3scc(Br)c3Br)cc2N1 705464263 MYIGMJQIXLDFDN-NSHDSACASA-N 481.991 5.088 50 10 JKGE Cl[C@H](c1ccc(C2CC2)s1)c1cc(I)ccc1Br 707966176 NTJJATRFXCENCF-AWEZNQCLSA-N 453.570 6.321 50 10 JKGE BrCc1ccc(Br)cc1N1CCCc2cc(Br)ccc21 713296553 YNGZJEPXYKICGX-UHFFFAOYSA-N 460.007 6.191 50 10 JKGE CC[C@@H](C)c1ccc([C@H](Cl)c2ccc(I)c(Br)c2)cc1 721573778 SCQUUALZCIMXIE-DIFFPNOSSA-N 463.584 6.895 50 10 JKGE C[C@H](c1ccncc1)[C@H](Br)c1ccc(I)c(Br)c1 721580159 TUEPWEKRTALZBU-OTYXRUKQSA-N 480.969 5.688 50 10 JKGE COc1ccc([C@@H](Br)c2ccc(I)c(Br)c2)s1 721590418 XSNNKBUWKJTUGC-LBPRGKRZSA-N 487.982 5.608 50 10 JKGE O=C(CCCCl)Nc1ccc(N2CCN(c3c(F)c(F)c(F)c(F)c3F)CC2)c(Cl)c1 953055424 JENWGLIHOCVJPH-UHFFFAOYSA-N 482.280 5.320 50 10 JKGE Cc1ccc(C(=O)Oc2cccc(/C=C(/C#N)C(=O)Nc3cc([N+](=O)[O-])ccc3Cl)c2)cc1 1084088304 AMIMIRKGVWOSLA-WQRHYEAKSA-N 461.861 5.322 50 10 JKGE CCOc1ccc([C@H](O)CCC(=O)NN=Cc2ccc(OCc3ccc(Cl)cc3)cc2)cc1 1084235213 MJYFQJHPDLTUOK-RUZDIDTESA-N 466.965 5.282 50 10 JKGE O=C(CCCSc1nc2ccc([N+](=O)[O-])cc2s1)NN=Cc1cccc(Cl)c1Cl 1084509632 WIEOCQRCRNEWQH-UHFFFAOYSA-N 469.375 5.534 50 10 JKGE COc1ccc(/C(C#N)=C/c2cccc(OC(=O)c3ccc(Cl)c(Cl)c3)c2)cc1OC 1615067253 MTEPRWZLJKLWDE-VCHYOVAHSA-N 454.309 6.294 50 10 JKGE CC(C)(C)[Si](C)(C)O[C@@H](CN=[N+]=[N-])c1ccc(OCc2ccccc2)c2c1OCC(=O)N2 1857523150 FMFPAGFRJCJVOY-IBGZPJMESA-N 454.603 5.970 50 10 JKGE CCCCCOc1ccc([C@@H]2C(C#N)=C(N)Oc3c2c(C)nn3Cc2ccc(Cl)cc2)cc1 1865689697 COOMPSJYWVLEJI-XMMPIXPASA-N 462.981 5.680 50 10 JKGE COc1cc([C@H]2C(C#N)=C(N)Oc3c2c(-c2ccccc2)nn3-c2ccc(C)cc2)cc(Cl)c1O 1865706923 IVVFYKJZPXSHPI-QFIPXVFZSA-N 484.943 5.434 50 10 JKGE N#CC1=C(N)Oc2c(c(-c3ccccc3)nn2Cc2cccc(Cl)c2)[C@H]1c1ccc(C(=O)O)cc1 1865708843 HFBCXUFLGOFYEW-QFIPXVFZSA-N 482.927 5.168 50 10 JKGE CCc1nc(Nc2ccc(SC#N)cc2)cc(N2CCc3ccc(OC)cc3[C@H]2c2ccccc2)n1 1868277791 IHTMVFWTFHCZDL-GDLZYMKVSA-N 493.636 6.516 50 10 JKGE Cc1ccccc1-c1nc(Nc2ccc(SC#N)cc2)cc(N2CCN(C)[C@H](c3ccccc3)C2)n1 1868300806 IEVNAUOAFFPPLO-SANMLTNESA-N 492.652 6.262 50 10 JKGE CCCc1nc(Nc2ccc(SC#N)cc2)cc(N2CCC[C@@H]2Cc2ccc(Cl)cc2)n1 1868388258 HDZKVVORDJXGDA-OAQYLSRUSA-N 464.038 6.611 50 10 JKGE Cc1nc(Nc2ccc(SC#N)cc2)cc(N2CCC[C@@H]2c2ccc(C(F)(F)F)cc2)n1 1868480692 QSLDJRUJYCMFHK-HXUWFJFHSA-N 455.509 6.462 50 10 JKGE CCOc1cc(/C(O)=C(\C#N)c2nc(-c3ccc(C(C)(C)C)cc3)cs2)cc(OCC)c1OCC 1872751158 UIDJKTRIKGNQAN-DAFNUICNSA-N 492.641 7.254 50 10 JKGE COc1ccc(-c2csc(/C(C#N)=C(\O)c3c(Cl)ccc(Cl)c3Cl)n2)cc1F 1872752645 MJPJCTHXRAZMNG-ZDLGFXPLSA-N 455.725 6.868 50 10 JKGE Cc1cc(C)c(-c2csc(/C(C#N)=C/c3ccc(OC(=O)c4ccccc4)cc3)n2)c(C)c1 1872793950 BSUKGOOZJPCORQ-HZHRSRAPSA-N 450.563 7.019 50 10 JKGE CCCCOc1ccc(/C=C(\C#N)c2nc(-c3ccc(OC)c(OC)c3OC)cs2)cc1OCC 1872794929 DVDSWRHLPVDJAM-XMHGGMMESA-N 494.613 6.478 50 10 JKGE Cc1nn(C)c([C@H](Br)c2cc(F)c(Br)cc2F)c1Br 1877177678 ZUNIRXYEZNAGNI-LLVKDONJSA-N 458.926 5.016 50 10 JKGE CC(C)(C)OC(=O)N[C@H](CBr)Cc1cc(Br)ccc1Br 1882087648 LIYGVARQCHXSCK-NSHDSACASA-N 472.015 5.042 50 10 JKGE Clc1cc(I)c([C@H](Br)C2(Br)CC2)s1 1888213436 GNTZMVGSNQJMRP-ZETCQYMHSA-N 456.368 5.370 50 10 JKGE Cc1cc([C@@H](Br)c2sc(Br)c(C)c2Br)ccc1Cl 1922954948 URPCYXNDSWTPOQ-LLVKDONJSA-N 473.455 7.028 50 10 JKGE CC[C@@]1([C@@H](Br)c2c(Br)sc(Br)c2Cl)CC1(F)F 1923075098 WREPFHLGZOMPLA-RCOVLWMOSA-N 473.402 6.798 50 10 JKGE CC1(C)C[C@]1(C)[C@H](Br)c1c(Br)sc(Br)c1Br 1924611871 GVMYLHFIBQNONH-RDDDGLTNSA-N 495.900 6.908 50 10 JKGE FC(F)CN(Cc1ccccc1)c1c(CBr)ccc(Br)c1Cl 1933546637 YECDHQQVDWYLNR-UHFFFAOYSA-N 453.552 6.269 50 10 JKGE CCc1nc([C@H](Br)c2sc(Cl)cc2Br)c(Br)s1 2003571975 PEAIJMPRSHOPMW-ZETCQYMHSA-N 480.472 6.430 50 10 JKGE CCc1sc(Br)cc1[C@H](Br)c1cc(Br)ccc1C 2030224883 ZPWJFZBZJBYWPM-CQSZACIVSA-N 453.037 6.628 50 10 JKGE Cc1cc([C@@H](Br)c2csc(Br)c2Br)c(F)cc1F 2032958513 FRSMXXPPLJWONH-SNVBAGLBSA-N 460.963 6.344 50 10 JKGE Fc1cc(Cl)c(Br)cc1[C@H](Cl)c1ccc(I)cc1 2036570831 FJTCDTOBKPQIPZ-CYBMUJFWSA-N 459.911 6.174 50 10 JKGE CN(Cc1sccc1Br)c1cc(Br)ccc1CBr 2039294973 PODHZRNVJYPPIT-UHFFFAOYSA-N 454.025 5.804 50 10 JKGE C[C@H]1CCc2c(sc3nc(C(C#N)=Cc4ccc(OCc5ccccc5)cc4)nc(O)c23)C1 2042446074 QKIMKIKPQQVEQP-KRWDZBQOSA-N 453.567 6.165 50 10 JKGE Brc1cc([C@H](Br)[C@H]2C[C@@H]2C2CCCCC2)sc1Br 2079383233 BWCLRBJEDFAZSV-GBIKHYSHSA-N 457.069 6.926 50 10 JKGE Cc1cc(Cl)c([C@H](Br)c2cc(Br)c(Br)s2)cc1Cl 2081587952 CFAPZHCEZICYRH-NSHDSACASA-N 493.873 7.373 50 10 JKGE CC(C)[C@@H]1CC[C@@H](Br)[C@H](Cc2c(Br)cccc2Br)C1 2094092632 IBMHXQKWMKEGMU-MBNYWOFBSA-N 453.056 6.590 50 10 JKGE Fc1ccc([C@H](Cl)c2cc(Br)c(Cl)cc2F)c(I)c1 2097835334 RGRPGHKYYCTMOG-ZDUSSCGKSA-N 477.901 6.314 50 10 JKGE CC1(C)CCO[C@@H]1COc1c(Br)cc(Br)cc1CBr 2097981728 BGCVGDSBTLKKRF-GFCCVEGCSA-N 457.000 5.300 50 10 JKGE Brc1cnc(N2CCC3(CCC(Br)CC3)C2)c(Br)c1 2099793105 HVFKAGHBYZKRIJ-UHFFFAOYSA-N 453.016 5.141 50 10 JKGE Brc1ccc(Br)c(CN2CC[C@@]3(CCC[C@H]3Br)C2)c1 2118526346 DXDNAGTWLFDIHQ-CABCVRRESA-N 452.028 5.351 50 10 JKGE COc1cc(Cl)c([C@H](Cl)c2ccc(I)cc2)cc1Br 2137662749 PDEKONMWSYICFP-CQSZACIVSA-N 471.947 6.044 50 10 JKGE Cc1cc([C@H](Cl)[C@H](C)c2ccncc2Br)ccc1I 2142105352 COBMCYJDOVOJCM-MEBBXXQBSA-N 450.545 5.841 50 10 JKGE Cc1cc([C@@H](Cl)c2ccc(F)c(Br)c2F)ccc1I 2142116794 KOZBEWQMOKAJPX-CYBMUJFWSA-N 457.483 5.969 50 10 JKGE Fc1ccc(C[C@H](CBr)Cc2cccc(Br)c2Br)cc1 2148750504 HHJSZSSSTDMMGZ-LBPRGKRZSA-N 464.998 6.147 50 10 JKGE Cc1c(Br)cc(CCl)cc1S(=O)(=O)N(Cc1ccccc1)CC1CCCC1 2152152335 CLSOYDXTUPQDJK-UHFFFAOYSA-N 470.860 5.877 50 10 JKGE Fc1cc(Br)cc(N2CCC[C@]3(CCN(Cc4ccccc4)C3)C2)c1CCl 2170694867 IIJDDGGIGLIPEO-JOCHJYFZSA-N 451.811 5.820 50 10 JKGE ClCc1nc2cccc(Br)c2n1Cc1cccc(I)c1 2175857727 XBIFWMCJPZKINS-UHFFFAOYSA-N 461.528 5.191 50 10 JKGE FC1(F)C[C@@H](n2c(CCl)nc3cncc(Br)c32)CN(Cc2ccccc2)C1 2184260162 IBNINHTYVDJWEZ-CQSZACIVSA-N 455.734 5.015 50 10 JKGE CCOc1ccc([C@H](Br)c2c(Br)c(C)nn2C)cc1Br 2192375187 OUWMYSQPPXGJSL-ZDUSSCGKSA-N 466.999 5.137 50 10 JKGE COc1cc(F)c([C@H](Br)c2c(C)cccc2Br)cc1Br 2202904819 XIIDLRTWPHGJKR-HNNXBMFYSA-N 466.970 6.152 50 10 JKGE Brc1ccc([C@H](Br)[C@@H]2C[C@@H]3CCCCCC[C@@H]32)c(Br)c1 2203681901 FDSLPCXADPGBGB-CQPIRRRNSA-N 465.067 7.254 50 10 JKGE COc1ccc([C@@H](Br)c2ccc(Br)c(C)c2Br)cc1C 2203684028 MLCDDLZPYSVIMU-MRXNPFEDSA-N 463.007 6.321 50 10 JKGE C[C@H](CBr)Cc1sc(Br)c(Br)c1Br 2209348966 ITAUROUPNBZNDR-BYPYZUCNSA-N 455.835 5.609 50 10 JKGE Cc1c(Br)sc([C@@H](Br)[C@]2(Cl)CC2(C)C)c1Br 2211991137 USYMFJUVVGDCLC-LDYMZIIASA-N 451.449 6.425 50 10 JKGE Cn1ncc(Br)c1[C@@H](Cl)c1c(Br)cc(Cl)c(Cl)c1Cl 2224307678 PCUDGOWQAWRPAR-JTQLQIEISA-N 467.803 6.234 50 10 JKGE Fc1cc(Br)c(Br)cc1[C@@H](Br)[C@H]1CCCC2(CC2)C1 2225615818 LXDRLDGNQBBLLD-XPTSAGLGSA-N 455.003 6.757 50 10 JKGE Cc1cc(Br)c([C@H](Br)[C@@H]2C[C@@H]2[C@@H]2C[C@@H]2C)c(C)c1Br 2227358696 AAILXBKLGSMUBV-UJLPJRFOSA-N 451.040 6.557 50 10 JKGE CC1(C)CN(Cc2ccc(Br)cc2Br)C[C@H]1CCBr 2230116687 PFFPMHAKLYEURN-GFCCVEGCSA-N 454.044 5.455 50 10 JKGE Clc1ccc([C@@H](Cl)c2c(Br)cc(Cl)c(Cl)c2Cl)c(Cl)c1 2232514674 WHUFMKGGBMEMNT-LLVKDONJSA-N 453.805 8.044 50 10 JKGE CC(C)(C[C@@H](Br)c1c(Br)cc(Cl)c(Cl)c1Cl)C(F)(F)F 2232530766 VCIBJUCJZFIJSN-ZCFIWIBFSA-N 477.373 7.824 50 10 JKGE COc1ccc(C)cc1[C@@H](Br)c1cc(Br)c(Br)cc1F 2233974622 GCSPYRZEEFHZBJ-HNNXBMFYSA-N 466.970 6.152 50 10 JKGE CCn1ncc(Br)c1[C@H](Br)c1c(F)cc(F)c(Br)c1F 2236107685 HMBDTGDEURYPJF-SNVBAGLBSA-N 476.916 5.330 50 10 JKGE Brc1cc2sc([C@H](Br)c3sncc3Br)cc2s1 2252866684 LPKPAZHYHPIIMA-VIFPVBQESA-N 474.062 6.429 50 10 JKGE Brc1cc2sc([C@@H](Br)c3cocc3Br)cc2s1 2252903841 YJWGSXZZMPJYTO-NSHDSACASA-N 457.006 6.565 50 10 JKGE Cc1sc([C@@H](Br)c2ccc(Cl)cc2Br)c(Br)c1C 2253503483 FIWJAIMSNCTXAP-LBPRGKRZSA-N 473.455 7.028 50 10 JKGE Fc1ccc([C@H](Br)c2scc(Br)c2Cl)c(F)c1Br 2253600226 NXALAHPHGWYDKW-ZETCQYMHSA-N 481.381 6.689 50 10 JKGE CN(C[C@@H](Br)COCc1ccccc1)C(=O)c1cc(Br)c(F)cc1Cl 2258088874 YDRFXPWFNCPXPQ-CYBMUJFWSA-N 493.598 5.294 50 10 JKGE Fc1cc(Br)c(F)c(Br)c1[C@H](Cl)c1occc1Br 2259993989 ADZCGEDTKVMURA-VIFPVBQESA-N 465.313 6.174 50 10 JKGE FC(F)(F)c1ccc([C@H](Br)c2cc(Br)sc2Br)s1 2263328741 RTNCWWPCHJCWDG-MRVPVSSYSA-N 484.982 6.838 50 10 JKGE Cc1cc(Cl)c(Cl)cc1[C@H](Br)c1ccc(I)c(Cl)c1 2264368639 MGAPDUMCAPLFDB-CQSZACIVSA-N 490.393 7.044 50 10 JKGE Cc1cc(F)c(Cl)cc1[C@H](Br)c1ccc(Cl)c(I)c1 2268273071 HVHWJDSSIRPAAX-CQSZACIVSA-N 473.938 6.530 50 10 JKGE COC[C@@]1(C)C[C@H]1COc1c(Br)cc(CBr)cc1Br 2269280585 OBVNQKYWVWXLGB-IINYFYTJSA-N 457.000 5.158 50 10 JKGE COc1ccc([C@H](Br)c2cccc(Cl)c2F)cc1I 2269554498 FGYAOOIDULXJHU-ZDUSSCGKSA-N 455.492 5.577 50 10 JKGE C[C@@H]1CCC[C@H]([C@H](Br)c2c(F)cc(Br)c(F)c2Br)O1 2272721768 LTWPKRHXBCBWSL-CGYDSVCVSA-N 462.954 5.883 50 10 JKGE CC(F)(F)C1([C@@H](Br)c2c(F)cc(Br)c(F)c2Br)CC1 2272728798 ZBGBMNYYQNJFHM-JTQLQIEISA-N 468.908 6.361 50 10 JKGE Fc1cc(Br)c(F)c(Br)c1[C@H](Br)C[C@H]1C[C@@H]1C1CC1 2272739609 NDSZALXGIJBVCX-IWSPIJDZSA-N 458.966 6.362 50 10 JKGE Cc1ccc([C@@H](Br)Cc2cc(Br)cc(Br)c2)cc1Cl 2277959562 AARWQUMMDMIKIX-AWEZNQCLSA-N 467.426 6.852 50 10 JKGE COc1cc(Br)c([C@H](Br)c2cccc(Cl)c2Br)cc1C 2283195806 XAOKNNYXRGHTBZ-CQSZACIVSA-N 483.425 6.666 50 10 JKGE Fc1cc([C@H](Cl)c2c(F)cc(Br)c(F)c2Br)ccc1Br 2288358729 WYDCMYCUZTZDGI-LBPRGKRZSA-N 493.342 6.720 50 10 JKGE 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 2295149798 VJESLMVYXPLTHU-PYWLCAGWSA-N 479.587 8.440 50 10 JKGE Cc1cccc([C@@H](CI)OCc2cc(Br)ccc2Cl)c1 2295173353 KBSIIVGHFATUON-MRXNPFEDSA-N 465.556 6.104 50 10 JKGE Fc1cc([C@@H](Cl)Cc2cc(Br)cc(Br)c2)c(F)cc1Br 2295275060 QUZFQJJLMVYNSP-LBPRGKRZSA-N 489.379 6.775 50 10 JKGE COc1cc(OC)c([C@@H](Br)c2c(C)nsc2Br)cc1Br 2295420400 CMQYUYVCRZNUGW-GFCCVEGCSA-N 486.023 5.478 50 10 JKGE Cc1ccc(-c2csc(C(C#N)=CNc3ccc4c(C(F)(F)F)cc(=O)oc4c3)n2)c(C)c1 2295945626 DNQSTZCGAYWJEK-UHFFFAOYSA-N 467.472 6.529 50 10 JKGE CCCOc1c(I)cc(C=C(C#N)c2nc3ccccc3[nH]2)cc1OC 2297368172 LFFTXASFZKNNCV-UHFFFAOYSA-N 459.287 5.029 50 10 JKGE Cc1sc(-n2c(C)cc(C=C(C#N)C(=O)Nc3cccc(Cl)c3Cl)c2C)c(C#N)c1C 2313570621 BHUDASGKBVMDQR-UHFFFAOYSA-N 469.397 6.497 50 10 JKGE COc1ccc(CNC(=O)C(C#N)=Cc2ccc(OCc3ccc(Cl)cc3)c(OC)c2)cc1 2313730440 UGRWAAJTLPZVNN-UHFFFAOYSA-N 462.933 5.160 50 10 JKGE C[C@H](NC(=O)C(C#N)=Cc1ccccc1OCc1ccc(Cl)cc1Cl)c1ccccc1 2313738411 BOYVFECPFXPBSQ-KRWDZBQOSA-N 451.353 6.357 50 10 JKGE CC(C)(C)c1ccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)C=Cc4ccccc4Cl)ccc32)cc1 2314634212 DOWSEWYBBVJYCH-MHZLTWQESA-N 484.983 6.474 50 10 JKGE CCCCOc1ccc(C=C(C#N)C(=O)Nc2scc(-c3ccc(CC)cc3)c2C(=O)OC)cc1 2314792790 DVFPUYWUCMMONA-UHFFFAOYSA-N 488.609 6.489 50 10 JKGE FC(F)(F)C([C@H](Br)c1sc(Cl)cc1I)C(F)(F)F 2316598763 HGINDYNMAVZQMP-SCSAIBSYSA-N 487.428 6.183 50 10 JKGE CC(C)[C@H](NC(=O)OC(C)(C)C)C(=O)NN=Cc1ccccc1OCc1ccc(Cl)cc1Cl 2328833343 ZTQSMAKEENKHGS-NRFANRHFSA-N 494.419 5.572 50 10 JKGE N#CC(=C(O)Cc1ccc(OCc2ccccc2)cc1)c1nc(-c2ccc(Cl)c(Cl)c2)cs1 2331311200 CADGXJMFIVFDIN-UHFFFAOYSA-N 493.415 7.731 50 10 JKGE COc1ccc(-c2csc(C(C#N)=C(O)c3ccccc3C(=O)c3ccccc3)n2)cc1F 2331336873 FXNXKISZVBYHFK-UHFFFAOYSA-N 456.498 6.139 50 10 JKGE COc1cc(C)c(-c2csc(C(C#N)=C(O)CCCOc3ccc(C(C)(C)C)cc3)n2)cc1C 2331403041 UWZQZOYBAGMING-UHFFFAOYSA-N 476.642 7.385 50 10 JKGE CCCCOc1ccc(C(O)=C(C#N)c2nc(-c3cc(Cl)ccc3OC)cs2)cc1OCC 2331411114 PQCKLHOVZZMXLW-UHFFFAOYSA-N 485.005 7.000 50 10 JKGE COc1cc(C=C(C#N)c2nc(-c3cc(C(C)C)c(OC)cc3C)cs2)ccc1OC(C)C 2331463637 WQPQYPQPKRSTIA-UHFFFAOYSA-N 462.615 7.111 50 10 JKGE Brc1ccc(OCc2ccccc2)c([C@@H](Br)C(C2CCC2)C2CCC2)c1 2336046658 GCWSKCCMTABKAJ-HSZRJFAPSA-N 478.268 7.681 50 10 JKGE FC(F)(F)c1ccc([C@H](Cl)c2ccc(OCc3ccccc3)cc2Br)s1 2336047059 JEBYIGUGJFOULX-GOSISDBHSA-N 461.730 7.437 50 10 JKGE C[C@@]1([C@@H](Br)c2c(Cl)cc(Br)c(F)c2Br)COCCO1 2337085605 ASCLXLOYPOFDDT-RYUDHWBXSA-N 481.381 5.246 50 10 JKGE Clc1ccc(C[C@@H]2C[C@@H]3CCCC[C@@H]3[C@H]2Br)cc1I 2337272989 PPQYFDJWDJJFLX-ZWUHOBOKSA-N 453.589 6.077 50 10 JKGE COc1c(Br)cc(C)c([C@H](Br)C2(OC)CCC2)c1Br 2339674459 LKBLCHPGQSYCDH-ZDUSSCGKSA-N 457.000 5.534 50 10 JKGE CO[C@@H]1CC[C@H]([C@H](Br)c2c(C)cc(Br)c(F)c2Br)C1 2339687101 RCOMSXKYBSLQSQ-SBMIAAHKSA-N 458.991 5.910 50 10 JKGE Cc1cccc(OCc2cc(I)ccc2Br)c1CBr 2341777885 DIDZSZXBGJTZIL-UHFFFAOYSA-N 495.980 5.836 50 10 JKGE Cc1c(CCl)ccnc1OCc1ccc(I)c(Br)c1 2350077562 UWMFPJSIVNIARH-UHFFFAOYSA-N 452.517 5.075 50 10 JKGE Fc1c(Br)cc(Cl)c([C@H](Br)[C@@H]2Cc3ccccc32)c1Br 2362258230 OQLKXUFRVYBDME-NOZJJQNGSA-N 483.400 6.780 50 10 JKGE COc1c(C)cc([C@@H](Cl)c2sc(Br)c(C)c2Br)cc1Cl 2362868360 CYAQIIWIUKQIAW-LLVKDONJSA-N 459.030 6.880 50 10 JKGE Fc1cc(F)c([C@@H](Cl)c2ccc(Cl)cc2I)c(F)c1Br 2365594851 CMXDYUSRWORBCF-LBPRGKRZSA-N 495.891 6.453 50 10 JKGE Clc1ccc([C@H](Br)Cc2nc3ccccc3o2)c(I)c1 2365594941 DTIKBZGFMUNEGG-LLVKDONJSA-N 462.512 5.765 50 10 JKGE COc1cc(Cl)c(Cl)cc1[C@@H](Cl)c1ccc(Cl)cc1I 2365596019 QDUJMHYFDBBAIL-AWEZNQCLSA-N 461.941 6.588 50 10 JKGE COc1cc(Cl)c(CBr)c(N(C)[C@@H]2CC(C)(C)[C@@H]2OCc2ccccc2)c1 2365808316 RTYLNLSRLISHKE-NHCUHLMSSA-N 452.820 6.064 50 10 JKGE CC(C)(C)[C@H]1CC[C@@H]1COc1c(Br)cc(CBr)cc1Br 2369278193 LEZQZASPPWVBCF-NEPJUHHUSA-N 469.055 6.558 50 10 JKGE O=C(N[C@@H](CCCl)COCc1ccccc1)c1ccc(Br)cc1C(F)(F)F 2369676739 BJGCFMBUEQVVAX-HNNXBMFYSA-N 464.709 5.412 50 10 JKGE ClC[C@H]1C[C@@H]2CCCC[C@@H]2N1Cc1ccc(I)c(Br)c1 2377313765 DSJTVUIYQXYRKW-ZENOOKHLSA-N 468.604 5.426 50 10 JKGE COc1c(OCc2c(C)cc(C)cc2C)cccc1[C@@H]1[C@H]2CCCC=C2C(C#N)=C(N)C1(C#N)C#N 1457022 FCRRCGGEMZDDTE-CUNXSJBXSA-N 478.596 5.793 50 10 JKGE CCSc1ccsc1[C@H]1C(C#N)=C(N)N(c2cccc([N+](=O)[O-])c2)C2=C1C(=O)CCC2 2501764 OHCYAZUZHLMUKF-IBGZPJMESA-N 452.561 5.073 50 10 JKGE COc1cccc(NC(=O)/C(C#N)=C/c2c(C)n(Cc3ccc(Cl)cc3)c3ccccc23)c1 2727000 AMEXBLWRZMKJDW-XSFVSMFZSA-N 455.945 6.206 50 10 JKGE CCc1ccc([C@@H]2C(C#N)=C(N)N(c3ccc(Cl)c([N+](=O)[O-])c3)C3=C2C(=O)CC(C)(C)C3)s1 6284042 IAZSTRUTTBBFIP-NRFANRHFSA-N 482.993 5.813 50 10 JKGE CCCCCOC(=O)c1ccc(NC(=O)/C(C#N)=C\c2ccc(-c3ccccc3[N+](=O)[O-])o2)cc1 33783193 WRARIBVWIFEAJA-MNDPQUGUSA-N 473.485 5.747 50 10 JKGE C[C@H]1Oc2ccccc2C=C1/C=C(/C#N)c1nc(-c2cccs2)c(NC(=O)c2cccs2)s1 34982885 HNRYFUOZCNCTLP-QLENYVDCSA-N 487.631 6.957 50 10 JKGE Cc1cc2oc(C(=O)Oc3ccc4c(c3)OC(N)=C(C#N)[C@@H]4c3ccc(C(C)C)cc3)c(C)c2cc1C 38687068 IKQPSNAYWSKVFQ-MUUNZHRXSA-N 492.575 6.919 50 10 JKGE C=CCn1c(CNc2ccc(Cl)cc2)nnc1S[C@@H](C)C(=O)NN=C1CCCCCC1 59261283 ZKWRZDHZIBMADI-INIZCTEOSA-N 461.035 5.037 50 10 JKGE N#C/C(=C/c1ccc(-c2ccc([N+](=O)[O-])cc2Cl)o1)C(=O)Nc1cccc(Cl)c1Cl 59336006 XYTRZTMKLAQEGR-FLIBITNWSA-N 462.676 6.361 50 10 JKGE COc1cc(/C=C(/C#N)C(=O)Nc2c(C)cc(C)cc2C)ccc1OCc1cccc(C(F)(F)F)c1 96438611 PWUSYNBIHNGQFY-UUYOSTAYSA-N 494.513 6.764 50 10 JKGE Cc1ccc(Cl)cc1N/C(SCc1ccc(F)cc1)=C(\C#N)S(=O)(=O)c1ccccc1 96482150 IHKAWNMBSPZDHO-FCQUAONHSA-N 472.994 6.299 50 10 JKGE CCCC(CBr)(CCC)COc1ccc(Br)cc1Br 96870464 BVTPGFBPFWIQTG-UHFFFAOYSA-N 457.044 6.572 50 10 JKGE Cc1ccc(NC(=O)[C@@H](Br)[C@@H](Br)c2ccccc2)c(Br)c1 101642733 ZDUCHERKUCBCPZ-GJZGRUSLSA-N 476.006 5.596 50 10 JKGE CCCOc1ccccc1/C=C(/C#N)C(=O)Nc1ncc(Cc2ccc(Br)cc2)s1 102958378 KQUQLVXRQUMOHE-AQTBWJFISA-N 482.403 5.831 50 10 JKGE O=C(CCCC(=O)OC(CCl)CCl)Nc1ccc(Cl)cc1C(=O)c1ccccc1 104664092 PEUHJTYRIHDFCR-UHFFFAOYSA-N 456.753 5.069 50 10 JKGE Cc1sc(Br)cc1[C@H](Br)c1ccc(Br)c(C(F)(F)F)c1 124620161 MAKSOXDCCXWKBW-GFCCVEGCSA-N 492.980 7.085 50 10 JKGE N#C/C(=C/Nc1cc(C(F)(F)F)cc(C(F)(F)F)c1)C(=O)N1CCC(Cc2ccccc2)CC1 216885863 GMVCBRCHGJBWHR-SDXDJHTJSA-N 481.440 6.025 50 10 JKGE C[C@H](C1=C(P(c2ccccc2)c2ccccc2)C=CC1)P(C1CCCCC1)C1CCCCC1 222737796 IDTJZKXTLMCXHR-RUZDIDTESA-N 474.609 8.869 50 10 JKGE C[C@H]1CC[C@H](CC(CBr)(CBr)c2ccccc2Br)O1 232063473 UOMCNUMGINUONG-NWDGAFQWSA-N 455.028 5.434 50 10 JKGE COc1cccc(C[C@H](Br)c2cc(Br)ccc2I)c1 234986983 RCTNELYLYPEMPT-AWEZNQCLSA-N 495.980 5.741 50 10 JKGE Cc1cccc([C@@H](Br)c2csc3c(Br)cccc23)c1Br 235993657 PJNUBEXAIXOVKN-OAHLLOKOSA-N 475.043 7.219 50 10 JKGE Fc1cccc(Cl)c1C[C@H](Br)c1ccc(Br)cc1Br 236143901 LEYTVTDBLKQXEX-LBPRGKRZSA-N 471.389 6.683 50 10 JKGE Fc1cc(Br)c(Cl)cc1[C@@H](Br)c1ccc(Cl)c(Br)c1 236226530 ZDUKSHFRIYHCME-ZDUSSCGKSA-N 491.807 7.142 50 10 JKGE CN(C)C=NC1=C(C#N)[C@H](c2ccc(F)cc2)c2c(-c3ccccc3)nn(-c3ccccc3)c2O1 252620187 LYZXHZFKXIOYDD-DEOSSOPVSA-N 463.516 5.528 50 10 JKGE Cc1c(C=NNC(=O)c2sc3ccccc3c2Cl)c2ccccn2c1C(=O)c1ccc(F)cc1 254306345 FQDFUTQPRBPZGB-UHFFFAOYSA-N 489.959 6.250 50 10 JKGE CC(=NNC(=O)CSc1nnc(-c2ccc(C(C)(C)C)cc2)n1-c1ccc(C)cc1)c1ccncc1 254838432 NGNWAIBNNMBHLU-UHFFFAOYSA-N 498.656 5.568 50 10 JKGE CCCCOc1ccc(C(=O)Oc2ccc(C=NNC(=O)c3ccc(C)cc3)cc2OC)cc1 254844044 GXXAMMOOZGGUEF-UHFFFAOYSA-N 460.530 5.166 50 10 JKGE Brc1cc(Br)cc([C@H]2CCC[C@@H](CI)O2)c1 394511554 BFZJKSHMWZJPHY-NWDGAFQWSA-N 459.947 5.257 50 10 JKGE CCCc1ccc([C@@H]2CN(C(=O)OCc3ccccc3)C[C@@H]2CI)cc1 394676536 TXCDYAADOSLPLD-SFTDATJTSA-N 463.359 5.426 50 10 JKGE C[C@@H]1C[C@H](n2c(CCCl)nc3cc(I)ccc32)CN1Cc1ccccc1 398006939 QVYUQVFBGBTTSY-QAPCUYQASA-N 479.793 5.258 50 10 JKGE COCc1cc(Br)c([C@H](Cl)c2cc(Cl)c(C)cc2Br)s1 688091426 ULCIFZUQTZOTHD-CYBMUJFWSA-N 459.030 6.710 50 10 JKGE Cl[C@H](c1cc(Br)c2c(c1)CCCO2)c1sccc1I 689594364 CQFGZJGGBARDHT-GFCCVEGCSA-N 469.569 5.768 50 10 JKGE Cc1nc(C)c(COc2c(Br)cc(CBr)cc2Br)s1 692006895 KNXXUUDFSIZLLH-UHFFFAOYSA-N 470.024 5.759 50 10 JKGE Cn1cc(Br)c([C@@H](Br)c2cc(Br)sc2Br)n1 693101879 PZPIACHWRURSBT-ZETCQYMHSA-N 493.844 5.253 50 10 JKGE Clc1cc([C@@H](Br)c2scc(Br)c2Br)c(Cl)s1 705411685 ZYTGFDKYSXJEJV-ZCFIWIBFSA-N 485.875 7.126 50 10 JKGE Cc1cc([C@H](Br)c2sc(C)c(Br)c2C)sc1Br 724915010 MUNKVLYUVJNCBO-JTQLQIEISA-N 459.066 6.744 50 10 JKGE CCOc1c(Br)cc(/C=C(/C#N)C(=O)Nc2cc(C)ccc2C)cc1Br 1083906980 PPIPROXCCBNYJW-NVNXTCNLSA-N 478.184 5.773 50 10 JKGE O=C(NN=Cc1ccc(OCc2ccccc2Cl)c(Br)c1)c1cc2ccccc2o1 1084421137 GDYYHDAEGDRHBW-UHFFFAOYSA-N 483.749 6.192 50 10 JKGE Cc1ccccc1C(=O)NN=Cc1ccc(Sc2nc3ccccc3c(=O)n2-c2ccccc2)o1 1084432004 JKZPYSFYQNKEDT-UHFFFAOYSA-N 480.549 5.202 50 10 JKGE N#C/C(=C/c1cccc(OCc2ccc(F)cc2)c1)C(=O)Nc1sc2c(c1C#N)CCCC2 1084467453 RMWFZQQNLBCLEO-UNOMPAQXSA-N 457.530 5.762 50 10 JKGE COc1ccc(OC)c(/C=C/C(=O)NCc2ccc(OC(=O)Nc3ccc(SC#N)cc3)cc2)c1 1858908256 HMIRGCMDNKYMEM-LHHJGKSTSA-N 489.553 5.217 50 10 JKGE CCCOc1cc(-c2nc3ccc(C(=O)Nc4ccc(SC#N)cc4)cc3[nH]2)ccc1OC 1861859175 NBFGYLUNBGMEKH-UHFFFAOYSA-N 458.543 5.853 50 10 JKGE CCCc1nn(Cc2ccccc2Cl)c2c1[C@H](c1c(F)cccc1Cl)C(C#N)=C(N)O2 1865682502 QEVQGGLVCMNRQW-IBGZPJMESA-N 457.336 5.548 50 10 JKGE N#CC1=C(N)Oc2c(c(-c3ccccc3)nn2Cc2ccc(Cl)cc2)[C@H]1c1ccccc1F 1865683293 IHOOGBDUJPTSGA-QFIPXVFZSA-N 456.908 5.609 50 10 JKGE CCc1nn(Cc2cccc(Cl)c2)c2c1[C@H](c1cccc(Br)c1)C(C#N)=C(N)O2 1865684631 UJZBUJDBCDPUSL-LJQANCHMSA-N 469.770 5.128 50 10 JKGE CCc1nn(-c2cccc3ccccc23)c2c1[C@@H](c1cccc(Br)c1)C(C#N)=C(N)O2 1865684821 ZJBFJQHFWAINPZ-QFIPXVFZSA-N 471.358 5.569 50 10 JKGE COc1ccc(-c2nn(Cc3ccccc3Cl)c3c2[C@@H](c2ccc(C)cc2)C(C#N)=C(N)O3)cc1 1865685913 OHQCKPMPCWQMQX-DEOSSOPVSA-N 482.971 5.787 50 10 JKGE CCOc1cccc([C@H]2C(C#N)=C(N)Oc3c2c(C(F)(F)F)nn3-c2cccc3ccccc23)c1 1865690722 ZNOGDUDIOFTNAX-NRFANRHFSA-N 476.458 5.661 50 10 JKGE CCn1nc(-c2ccccc2)c2c1OC(N)=C(C#N)[C@@H]2c1ccccc1OCc1ccc(Cl)cc1 1865700802 DTEFKSBZCGSTTD-DEOSSOPVSA-N 482.971 6.021 50 10 JKGE CCc1nn(CC)c2c1[C@@H](c1ccc(OCc3ccc(Cl)cc3Cl)cc1)C(C#N)=C(N)O2 1865701532 XPDCKQXYNLUIJQ-NRFANRHFSA-N 469.372 5.569 50 10 JKGE CCN(Cc1ccccc1)c1ccc([C@H]2C(C#N)=C(N)Oc3c2c(C(F)(F)F)nn3CC(C)C)cc1 1865707337 UUKZJEWZXMDSCT-QFIPXVFZSA-N 495.549 5.803 50 10 JKGE N#CC1=C(N)Oc2c(c(C(F)(F)F)nn2-c2ccc(Cl)c(Cl)c2)[C@@H]1c1ccc(C(=O)O)cc1 1865709165 PTXRHDVQYLCEAA-OAHLLOKOSA-N 495.244 5.114 50 10 JKGE CCCC[C@H](NC(=O)Cc1ccc2nc(O)c(C(C)C)cc2c1)C(=O)Nc1ccc(SC#N)cc1 1867067176 KSQWDTJRWSIXIL-DEOSSOPVSA-N 490.629 5.493 50 10 JKGE COc1cccc(-c2csc(/C(C#N)=C(\O)c3ccc4c(c3)C(=O)N(C(C)(C)C)C4=O)n2)c1 1872744052 FONIKCNUFRPUAA-VZCXRCSSSA-N 459.527 5.163 50 10 JKGE N#C/C(=C(/O)c1ccccc1Br)c1nc(-c2cccc(Br)c2)cs1 1872745867 HEZJVPMDCMPWBD-VKAVYKQESA-N 462.166 6.285 50 10 JKGE N#C/C(=C(/O)Cc1ccc(OCc2ccccc2)cc1)c1nc(-c2ccc(F)c(F)c2)cs1 1872751376 FCMKWQNCOSGQAN-DAFNUICNSA-N 460.505 6.703 50 10 JKGE Cc1ccc(-c2csc(/C(C#N)=C(\O)c3ccc4c(c3)C(=O)N(Cc3ccccn3)C4=O)n2)cc1C 1872756138 DRCIVULYFGVBJJ-BZZOAKBMSA-N 492.560 5.568 50 10 JKGE COc1cc(OC)c(-c2csc(/C(C#N)=C(\O)COc3ccc(C)cc3C)n2)cc1Cl 1872756185 FQIJSXSPRJLBLZ-MNDPQUGUSA-N 456.951 5.969 50 10 JKGE COc1cc(OC)c(-c2csc(/C(C#N)=C(\O)CCCOc3ccccc3)n2)cc1Cl 1872756466 LCNMLQRRYXYMIW-JZJYNLBNSA-N 456.951 6.133 50 10 JKGE O=C(N/N=C/c1ccc(OCc2ccccc2Cl)cc1)c1ccc2[nH]c3c(c2c1)CCCC3 1873498499 QWHDOSIAZOFWDW-MUFRIFMGSA-N 457.961 6.043 50 10 JKGE CC1(C)C[C@@]1(CBr)Cc1ccc(I)c(Br)c1 1904344717 XSXADEBIFIJLMV-CYBMUJFWSA-N 457.975 5.407 50 10 JKGE Clc1cc([C@@H](Br)c2cc(I)sn2)sc1Br 1909888253 AQOCKXIPWQSZHT-ZETCQYMHSA-N 499.418 5.709 50 10 JKGE C[C@H]1C[C@H](n2c(CCl)nc3c(Br)cc(F)cc32)CCN1Cc1ccccc1 1912674854 UFRKAKSKISXMNS-WMLDXEAASA-N 450.783 5.902 50 10 JKGE CC(C)[C@@H](CCl)N(Cc1ccccc1)C(=O)c1cccc(F)c1I 1915263495 SMMWALRUPQDWJQ-QGZVFWFLSA-N 459.730 5.336 50 10 JKGE CC(C)[C@H](CCl)N(Cc1ccccc1)C(=O)c1ccc(Br)cc1C(F)(F)F 1915302339 MDIIWCJMGUULMQ-SFHVURJKSA-N 462.737 6.374 50 10 JKGE CCc1nn(CC)c(CN(Cc2ccccc2)C(C)(C)CBr)c1Br 1915766105 UYEVSVPOZFVGIT-UHFFFAOYSA-N 457.254 5.404 50 10 JKGE CCn1cc([C@H](Cl)c2sc(Br)cc2Br)nc1Br 1922896789 ICIQPWWWDZCHBQ-QMMMGPOBSA-N 463.420 5.580 50 10 JKGE CC(C)C1CC([C@@H](Cl)c2c(Br)sc(Br)c2Br)C1 1924568661 JXAQKUDDIWMBEE-HNQUHTCLSA-N 465.476 6.998 50 10 JKGE Cc1cccc([C@@H](Cl)c2c(Cl)sc(Br)c2Cl)c1I 1925586557 ANUKRYHJZCIGGJ-MRVPVSSYSA-N 496.422 7.059 50 10 JKGE Clc1ccc(C[C@H](Br)c2cc(I)sn2)cc1Cl 2007645763 WXLHWNIKOJOFCP-ZETCQYMHSA-N 462.965 5.733 50 10 JKGE Fc1cc(Cl)c(Br)cc1[C@@H](Cl)c1cccc(I)c1 2036571920 MTAMOUFKMYLZAR-ZDUSSCGKSA-N 459.911 6.174 50 10 JKGE N#CC(=Cc1ccccc1Cl)c1cn(-c2ncc(C(F)(F)F)cc2Cl)c2ccccc12 2053528734 YLALIUJPPUCXBL-UHFFFAOYSA-N 458.270 7.415 50 10 JKGE CN(CC1CC(Br)C1)c1c(CBr)ccc(Br)c1Cl 2076247601 JKHDGWJAYYYMBZ-UHFFFAOYSA-N 460.435 5.607 50 10 JKGE Fc1cccc(Br)c1[C@@H](Cl)c1ccc(Br)cc1Br 2083331400 YTJCSMRHMPNTMZ-ZDUSSCGKSA-N 457.362 6.441 50 10 JKGE CCn1ncc(Br)c1[C@H](Br)c1ccc(F)c(Br)c1F 2094274422 LGQXAGMSPBUYBX-SECBINFHSA-N 458.926 5.191 50 10 JKGE CN(c1ccc(Br)cc1CBr)C1C[C@@H]2CC[C@H](C1)N2Cc1ccccc1 2094893778 DFVITTKEOSZUQN-WCRBZPEASA-N 478.272 5.976 50 10 JKGE Cc1cc(CBr)ccc1OCc1cc(Cl)ccc1I 2098794363 ONNKLKGBYPWQHC-UHFFFAOYSA-N 451.529 5.727 50 10 JKGE Cc1cc([C@H](Br)c2csc3c(Br)cccc23)c(Br)s1 2101015375 VYWUWGGWYLXRNF-LBPRGKRZSA-N 481.072 7.281 50 10 JKGE Brc1cc([C@H](Br)[C@@H]2C[C@H]3CCCCCC[C@@H]32)c(Br)s1 2109845653 JYIJYMGMRRBHRP-FBKDDSFISA-N 471.096 7.316 50 10 JKGE Clc1cc(Br)cc(C[C@@H](CBr)c2ccc(Br)cc2)c1 2110524167 PGLWQHHIFXAPMK-LBPRGKRZSA-N 467.426 6.586 50 10 JKGE ClCc1ccc(Br)c(Cl)c1N1CC[C@H]2CN(Cc3ccccc3)C[C@H]2C1 2112432393 XRKKPGDVTOBUEF-ROUUACIJSA-N 454.239 5.800 50 10 JKGE Cc1cc([C@@H](Br)c2c(Br)nn(C)c2C)c(C)cc1Br 2131590634 RQXVYGIGYAHGJI-CYBMUJFWSA-N 451.000 5.355 50 10 JKGE CC[C@@H](Br)CN(Cc1ccccc1)C(=O)c1cc(OC)c(OC)cc1Br 2132543175 KXQVJDQMBREGEC-OAHLLOKOSA-N 485.216 5.282 50 10 JKGE COc1c(C)cc(Br)cc1[C@H](Br)c1cc(Br)sc1C 2141640070 QAQULPNLCJIKTC-CYBMUJFWSA-N 469.036 6.383 50 10 JKGE Cc1sc(Br)cc1[C@H](Br)c1cc2c(cc1Br)OCCO2 2152047121 DGVONUZLBFKZIM-AWEZNQCLSA-N 483.019 5.837 50 10 JKGE COc1cc(Br)c([C@@H](Br)c2cc(Cl)c(Cl)s2)cc1OC 2156050082 KQXBUVLVLZVMMQ-GFCCVEGCSA-N 461.002 6.319 50 10 JKGE Cc1csc([C@H](Br)c2cc3c(cc2Br)OCCO3)c1Br 2157036255 WGTUXYJLZKBABW-CYBMUJFWSA-N 483.019 5.837 50 10 JKGE Brc1cccc(CN2CCC[C@@H]3CC[C@H](Br)C[C@@H]32)c1Br 2167009212 LEMLTERVYVQGQT-ZLDLUXBVSA-N 466.055 5.740 50 10 JKGE BrCc1cc(Br)cc(Br)c1OCC1[C@@H]2CCCCC[C@@H]12 2167300770 VZIGAXBGYBRTHV-CHWSQXEVSA-N 467.039 6.312 50 10 JKGE Brc1csc([C@@H](Br)c2cc3c(cc2Br)OCCCO3)c1 2172564200 GAKXGWPQBJCDQA-AWEZNQCLSA-N 483.019 5.919 50 10 JKGE O=C1Cc2cc([C@H](Cl)c3cc(Br)c(Cl)s3)c(Br)cc2N1 2172569359 MCMKULPAXRHBRH-LBPRGKRZSA-N 455.986 5.749 50 10 JKGE COc1cc(Cl)c([C@H](Br)c2cc(Br)c(Cl)s2)cc1OC 2172570683 ZGVRVJOHQVITNJ-LBPRGKRZSA-N 461.002 6.319 50 10 JKGE Cc1ccc(S(=O)(=O)N(Cc2ccccc2)[C@@H](C)c2cccs2)cc1CBr 2179789197 NOVMZMKSQSQMKC-KRWDZBQOSA-N 464.450 5.904 50 10 JKGE CCn1cc(Br)c([C@H](Br)c2cc(Cl)c(Cl)c(Cl)c2Cl)n1 2181185206 CGKQMOAGEQQZMJ-MRVPVSSYSA-N 481.830 6.763 50 10 JKGE CC(C)(C)OC(=O)N1CCN(CCCCCCCCCBr)[C@H](CC(F)F)C1 2183411100 UUJYAQXOFMDYDI-QGZVFWFLSA-N 455.428 5.689 50 10 JKGE Cc1scc([C@H](Br)c2cc(Br)c(Br)cc2F)c1C 2218605614 IWIGLVUEAZPLNV-CYBMUJFWSA-N 457.000 6.513 50 10 JKGE Fc1cc(Br)cc(CBr)c1OCc1ncsc1Br 2219011239 QJOIMEDZRYKOPJ-UHFFFAOYSA-N 459.960 5.281 50 10 JKGE Cc1ccc(Br)cc1[C@@H](Br)Cc1ccc(Br)cc1Cl 2229148064 ATNMJEXQZUSXMY-AWEZNQCLSA-N 467.426 6.852 50 10 JKGE Cc1cc(Br)cc([C@@H](Br)c2c(Br)cc(C)c(Cl)c2C)c1 2232530313 QMRLSDODKMRHLP-OAHLLOKOSA-N 481.453 7.275 50 10 JKGE Cl[C@H](Cc1cc(Br)cc(Br)c1)c1cccc(Br)c1 2263519925 YQUYBROKLJIHDW-CQSZACIVSA-N 453.399 6.497 50 10 JKGE Fc1ccc([C@@H](Cl)c2c(F)cccc2I)c(F)c1Br 2267663918 TWHVCXIHIXECDK-GFCCVEGCSA-N 461.446 5.799 50 10 JKGE Cc1cc(C(F)(F)F)sc1[C@H](Br)c1sc(Cl)cc1Br 2277706669 RTGVYRXSPFXPMC-QMMMGPOBSA-N 454.558 7.037 50 10 JKGE Brc1cc(Br)cc(C[C@H](Br)[C@@H]2C[C@@H]3CCCC[C@H]32)c1 2277962192 DIORUDNZSOGYKE-SRMUXQRQSA-N 451.040 6.344 50 10 JKGE CC(C=NNC(=O)CSc1nnc(-c2ccc(Cl)cc2)n1-c1ccccc1)=Cc1ccco1 2293370054 IVWVKMIJOBIZCZ-UHFFFAOYSA-N 477.977 5.478 50 10 JKGE COc1cc(C=C(C#N)c2ccc(F)cc2)c(Br)cc1OCc1ccc(Cl)cc1 2294619912 LJSWBZJFMVSCBN-UHFFFAOYSA-N 472.741 6.893 50 10 JKGE Cc1cccn2c(=O)c(C=C(C#N)C(=O)NC3CCCC3)c(Oc3ccc(Cl)cc3Cl)nc12 2296544534 WYCTZUPSCLMBCT-UHFFFAOYSA-N 483.355 5.068 50 10 JKGE COc1cc(S(=O)(=O)Nc2cccc(C)c2)ccc1NC=C(C=O)c1nc2cc(Cl)ccc2o1 2297452702 RERIUHYWQWVTKV-UHFFFAOYSA-N 497.960 5.251 50 10 JKGE CCOc1c(Cl)cc(C=C(C#N)C(=O)Nc2ccc3c(c2)C(=O)c2ccccc2C3=O)cc1OC 2297552030 LZHLCGIROQXAMV-UHFFFAOYSA-N 486.911 5.068 50 10 JKGE Cn1cc([C@H](Cl)c2cc(Br)ccc2OCc2ccccc2)nc1Br 2299506631 BOCKTQDLDQFDRC-QGZVFWFLSA-N 470.592 5.852 50 10 JKGE Clc1cc(I)c([C@H](Br)c2c(Cl)cccc2Cl)s1 2300954099 SFRTYYZXBIEZKJ-SNVBAGLBSA-N 482.395 6.797 50 10 JKGE CC[C@H](C)N(CCBr)Cc1ccc(I)c(Br)c1 2306218689 CXDXRTZDIVIJEM-JTQLQIEISA-N 475.006 5.049 50 10 JKGE COc1cc(C=C(C#N)C(=O)Nc2cc(Cl)ccc2C)ccc1OCc1ccccc1F 2313676660 PRCPQBVLKRLGNO-UHFFFAOYSA-N 450.897 5.921 50 10 JKGE Fc1cc(Cl)c(Br)c(Cl)c1[C@H](Cl)c1cc(Br)cs1 2313747674 AXDCYPUZOVAYCM-SNVBAGLBSA-N 453.385 7.047 50 10 JKGE FC1(F)CC[C@@H]2[C@@H]([C@H](Br)c3ccc(OCc4ccccc4)cc3Br)[C@@H]21 2314439263 GJIIBBCRNDFAGT-NXWXRZEISA-N 472.167 6.755 50 10 JKGE CCOc1ccc(NC(=O)C(C#N)=Cc2cn(-c3ccccc3)nc2-c2ccc(SCC)cc2)cc1 2314478160 HJYCHUCFBFDEHQ-UHFFFAOYSA-N 494.620 6.596 50 10 JKGE Brc1ccc(OCc2ccccc2)c([C@H](Br)[C@@H]2C[C@@H]3CCCC[C@H]32)c1 2314498780 XPZXWBMBZRAUDR-OSGXGRJZSA-N 464.241 7.290 50 10 JKGE Brc1ccc(OCc2ccccc2)c([C@H](Br)C2CC3(CCOC3)C2)c1 2314501564 ZCUFYQWLAMEBFP-ZWVUXNTGSA-N 466.213 6.281 50 10 JKGE CCN1C(=O)C(=Cc2ccc(OCc3ccc(Cl)cc3Cl)c(OC)c2)C(C)=C(C#N)C1=O 2314610025 CDSFLKYABMEPRW-UHFFFAOYSA-N 471.340 5.193 50 10 JKGE Clc1nc(OCc2cc(Br)cc(Br)c2)sc1CBr 2315425632 ZWPBQDBVLNFDIK-UHFFFAOYSA-N 476.415 5.795 50 10 JKGE Fc1c(Br)cc(Cl)c([C@H](Br)CC2CCCC2)c1Br 2315458165 KCHGFTDNHMRFAZ-MRVPVSSYSA-N 463.410 7.020 50 10 JKGE Cc1cc(Br)c([C@@H](Br)c2cnsc2Br)c(C)c1F 2315639213 BFBQLYMBAIZYEP-JTQLQIEISA-N 457.988 5.908 50 10 JKGE ClCc1cc(Cl)cnc1Oc1cc(Br)cc(I)c1 2316721981 MQZFHOPGYCXQDQ-UHFFFAOYSA-N 458.908 5.633 50 10 JKGE CC(C)c1ccc([C@@H](Br)c2sc(Cl)cc2I)cc1 2316769156 HETVHRYJHHTRQT-CYBMUJFWSA-N 455.586 6.614 50 10 JKGE Brc1cc([C@@H](Br)[C@@H]2COC3(CCC3)CO2)sc1Br 2316805656 WXMJZLKWASLNOX-WPRPVWTQSA-N 461.013 5.047 50 10 JKGE Cc1ccc(-c2ccc(C(=O)NNC(=O)C=Cc3cccc(OCc4ccccc4)c3)c(C)n2)cc1 2321124279 YMZRREKCSCFODC-UHFFFAOYSA-N 477.564 5.419 50 10 JKGE CC[C@@H](NC(=O)C(C#N)=CNCCc1cccc(Br)c1)c1ccc2c(c1)CCCC2 2325092841 YPVUJQLFZZWSTH-XMMPIXPASA-N 466.423 5.135 50 10 JKGE CC(C)OC(=O)c1ccc(C(C#N)=Cc2cccc(OCc3c(Cl)cccc3Cl)c2)o1 2331049654 AGOJFEYHXSIMPV-UHFFFAOYSA-N 456.325 6.795 50 10 JKGE N#CC(=C(O)c1ccc(N2CCOCC2)c([N+](=O)[O-])c1)c1nc(-c2cccc(Cl)c2)cs1 2331294206 BOZPHKUBGNMAHJ-UHFFFAOYSA-N 468.922 5.158 50 10 JKGE CCOc1ccc(-c2csc(C(C#N)=C(O)[C@@H]3CC(=O)N([C@H](C)c4ccccc4)C3)n2)cc1 2331305603 YGBIIAKTPUARBR-YLJYHZDGSA-N 459.571 5.611 50 10 JKGE CCOc1ccc(C=CC(O)=C(C#N)c2nc(-c3cc(OC)ccc3OC)cs2)cc1OC 2331325226 ZLMABVNQMSTSRN-UHFFFAOYSA-N 464.543 5.741 50 10 JKGE CCOc1cc(C(O)=C(C#N)c2nc(-c3ccc(OC)c(F)c3)cs2)cc(OCC)c1OCC 2331337270 NLAGRUGRGPIGMM-UHFFFAOYSA-N 484.549 6.104 50 10 JKGE COc1cc(C(O)=C(C#N)c2nc(-c3cc(C(C)(C)C)ccc3C)cs2)cc(OC)c1OC 2331394616 DATZQCXKRPIAQV-UHFFFAOYSA-N 464.587 6.392 50 10 JKGE COc1ccc(-c2csc(C(C#N)=Cc3ccc(OCCc4ccccc4)c(OC)c3)n2)cc1C 2331430124 MJMUOXAAXICHLQ-UHFFFAOYSA-N 482.605 6.821 50 10 JKGE COc1cc(C=C(C#N)c2nc(-c3ccccc3OC)cs2)ccc1OCc1ccc(Cl)cc1 2331436336 RWTZKMIJIRVMOJ-UHFFFAOYSA-N 488.996 7.124 50 10 JKGE CCN(Cc1ccccc1)c1ccc(C=C(C#N)c2nc(-c3c(C)cc(C)cc3C)cs2)cc1 2331478634 QYFYGFAPOAJZKL-UHFFFAOYSA-N 463.650 7.826 50 10 JKGE CS(=O)(=O)c1sccc1[C@H](Cl)c1cc(Br)ccc1OCc1ccccc1 2336073533 WVPRMURFSMGCFV-SFHVURJKSA-N 471.825 5.821 50 10 JKGE Fc1c(Br)cc(Cl)c([C@@H](Br)[C@@H]2CCC(F)(F)C2)c1Br 2337088723 PGKRLLRDSHIQEU-ANLVUFKYSA-N 485.363 6.876 50 10 JKGE Cc1cc(Br)c([C@@H](Br)[C@H]2CO[C@]3(C)C[C@H]2C3)cc1Br 2337698755 XESUWZWHMXSXKD-YZENIEGJSA-N 453.012 5.771 50 10 JKGE Cc1ccc(CCl)cc1OCc1cc(I)ccc1Br 2341779002 GTKSDHQIEYJVCI-UHFFFAOYSA-N 451.529 5.680 50 10 JKGE C[C@H](c1ccncc1F)[C@H](Cl)c1ccc(Br)cc1I 2344710037 GYWRNZKSQOPBCL-CLAHSXSESA-N 454.508 5.671 50 10 JKGE Cc1ccc(CCl)c(OCc2ccc(I)c(Br)c2)n1 2350074201 ZSPWPICGCPZSPO-UHFFFAOYSA-N 452.517 5.075 50 10 JKGE CC(F)(F)c1ccc([C@@H](Br)c2cc(Br)ccc2OCc2ccccc2)cc1 2361167505 CXOXWSUNCWGKDT-OAQYLSRUSA-N 496.189 7.624 50 10 JKGE FC(F)(F)[C@@H]1C[C@@H](Br)CCN1Cc1cccc(Br)c1Br 2361420745 MQWUQGPOMMMPLS-ONGXEEELSA-N 479.960 5.502 50 10 JKGE Fc1c(Br)cc(Cl)c([C@@H](Br)C2C[C@H]3CC[C@H](C2)C3)c1Br 2362252530 FPVHADDHEIFJRL-UPFKWVMWSA-N 489.448 7.266 50 10 JKGE COc1c(Br)cc(C)c([C@H](Br)[C@@H]2C[C@@H]2C(C)(F)F)c1Br 2365192371 BPYCFBHOWAHEST-VHSKPIJISA-N 476.981 6.256 50 10 JKGE Cc1cc(Br)c(F)c(Br)c1[C@@H](Br)c1ccc(F)cc1Cl 2365216627 WFYWXHIPDHLGHB-LBPRGKRZSA-N 489.379 6.936 50 10 JKGE Cc1ccc(COc2c(Br)cc(Br)cc2CBr)nc1C 2367662804 MJVJVAMBMZUXAW-UHFFFAOYSA-N 463.995 5.697 50 10 JKGE CO[C@]1(C(F)F)C[C@H]([C@@H](Br)Cc2cc(Br)cc(Br)c2)C1 2369092500 KICMNFZDMVIZQN-DUFXMDAXSA-N 476.981 5.578 50 10 JKGE Cc1cc(C)c(CCl)c(OCc2ccc(I)c(Br)c2)n1 2377635751 CUIPHWBWQVJVFV-UHFFFAOYSA-N 466.544 5.383 50 10 JKGE FC(F)(F)[C@@H]1[C@H](Br)CCCN1Cc1cc(I)ccc1Cl 2380514606 FJGQWDDLTMRAFN-PWSUYJOCSA-N 482.509 5.235 50 10 JKGE Cc1cc(Br)c(C(C)C)cc1[C@@H](Br)c1cc(C)c(Br)s1 2380941716 JMXCOUUZMULHHP-OAHLLOKOSA-N 481.091 7.498 50 10 JKGE CC(C)(C)c1ccc(/C=C(/C#N)C(=O)Nc2ncc(Cc3cccc(C(F)(F)F)c3)s2)cc1 34837674 SNPSXKQMCIZWAM-WQRHYEAKSA-N 469.532 6.596 50 10 JKGE Cc1c(/C=C(/C#N)C(=O)Nc2cccc(C(F)(F)F)c2)c2ccccn2c1C(=O)c1ccccc1 35111039 WWWAOEQPXNQQET-RGEXLXHISA-N 473.454 6.043 50 10 JKGE CC(C)(C)c1ccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)COc4cccc(Cl)c4)ccc32)cc1 38649898 CZHNCHQPKWGQOJ-SANMLTNESA-N 488.971 5.840 50 10 JKGE CCCCOc1ccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4ccccc4Cl)ccc32)cc1 38650758 NGQQVHCMATUBIJ-VWLOTQADSA-N 474.944 5.956 50 10 JKGE CCCCOc1ccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)Cc4ccc(OC)cc4)ccc32)cc1 38650882 HVZUQAXATQOVAG-NDEPHWFRSA-N 484.552 5.240 50 10 JKGE COc1cc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4cccs4)ccc32)ccc1OCCC(C)C 38660379 SKVGRVWNKKUBPF-VWLOTQADSA-N 490.581 5.619 50 10 JKGE N#CC1=C(N)Oc2cc(OC(=O)c3ccccc3[N+](=O)[O-])ccc2[C@@H]1c1c(Cl)cccc1Cl 38679663 TULUBOSTKQJGIH-FQEVSTJZSA-N 482.279 5.339 50 10 JKGE CCCCOc1ccccc1[C@H]1C(C#N)=C(N)Oc2cc(OC(=O)c3ccc(OC(C)C)cc3)ccc21 38682893 DFAICLWXPWEXLZ-MUUNZHRXSA-N 498.579 6.090 50 10 JKGE Cc1cc(C)c2c(C)c(C(=O)Oc3ccc4c(c3)OC(N)=C(C#N)[C@@H]4c3ccc(Cl)cc3)oc2c1 38687804 MNXWGKSFNMSOJF-RUZDIDTESA-N 484.939 6.449 50 10 JKGE Cc1ccc(OC(=O)c2oc3c(c2C)/C(=N/NC(=O)C(c2ccccc2)c2ccccc2)CCC3)cc1 40815580 KKMLJBVWNIRKGD-WGPBWIAQSA-N 492.575 6.104 50 10 JKGE CCOc1cc(/C=C(/C#N)c2nc3ccccc3[nH]2)ccc1OCC(=O)Nc1ccc(F)c(F)c1F 50568407 ADDGJIBHSJADSJ-WJDWOHSUSA-N 492.457 5.461 50 10 JKGE C=CCNC(=O)/C(C#N)=C1\S[C@H](Cc2ccc(Cl)c(Cl)c2)C(=O)N1c1ccc(C)c(C)c1 101241954 YRVGTJZOVPSQDK-AXVPLRHPSA-N 486.424 5.339 50 10 JKGE Cc1cccc(C)c1N/C(SCc1ccc(F)cc1)=C(\C#N)S(=O)(=O)c1ccccc1 104688836 TXIPKHROSFFDFU-GYHWCHFESA-N 452.576 5.954 50 10 JKGE Fc1ccc([C@H](Br)c2cc3c(cc2Br)OCCO3)c(Br)c1 109865710 CVJQIHWOYLCSJC-HNNXBMFYSA-N 480.953 5.606 50 10 JKGE CCOc1ccc(Br)cc1[C@@H](Br)c1cc(Br)ccc1F 109871930 ZHGYPTOFGAVUIT-HNNXBMFYSA-N 466.970 6.234 50 10 JKGE Cl[C@H](Cc1ccc(Br)cc1)c1cc(Br)c(Br)s1 124712933 YARIOUJSAPXPPF-SNVBAGLBSA-N 459.428 6.558 50 10 JKGE Cc1cc(Br)c([C@H](Br)[C@@H]2COc3ccccc3O2)cc1Br 128776342 IBVVXEAKXZMTNX-HOTGVXAUSA-N 476.990 5.796 50 10 JKGE CCCCCCCOc1ccc(/C=C2\C(=O)N(C[C@@H]3CCCO3)C(=O)C(C#N)=C2C)cc1OCC 214329381 HOCDEKNQOQDFNV-NRPPHEFGSA-N 480.605 5.206 50 10 JKGE N#C/C(=C/N1CCN(C(c2ccccc2)c2ccccc2)CC1)C(=O)Nc1cccc2c(O)cccc12 217064172 OUIAXHJPDBRKIY-LVWGJNHUSA-N 488.591 5.299 50 10 JKGE CCCCc1ccc([C@H](Br)c2ccc(I)c(Cl)c2)cc1 232343069 CCGQIFUEGYPMPO-KRWDZBQOSA-N 463.584 6.772 50 10 JKGE Cl[C@@H](c1ccc2c(c1)OCCO2)c1cc(I)ccc1Br 236040689 XSCAROUZVLFBGQ-HNNXBMFYSA-N 465.512 5.153 50 10 JKGE Fc1cc(Br)c(Cl)cc1[C@@H](Cl)c1ccc(Br)cc1Br 236228720 OPQNPAQFGMHJCT-ZDUSSCGKSA-N 491.807 7.095 50 10 JKGE COc1cccc(CN(C(=O)CCl)[C@H](C(=O)N[C@@H]2CCC[C@@H](C)[C@H]2C)c2ccc(C)cc2)c1 252585007 FMUYGYARFDDZNR-MGAFBPAPSA-N 471.041 5.253 50 10 JKGE COc1cc(C=NNC(=O)c2cc3c(ccc4ccccc43)o2)ccc1OCc1ccccc1C#N 252617133 KMWCMUHBVLPNLJ-UHFFFAOYSA-N 475.504 5.809 50 10 JKGE COc1ccccc1/C=C\C=NNC(=O)CSc1nnc(SCc2ccc(C)cc2)s1 254288116 HYVKXMGKIVEUTB-GFXYALIASA-N 470.645 5.055 50 10 JKGE CCOC(=O)[C@H]1CCC(=NNC(=O)CSc2cc(C)c(Br)cc2C)C(CC)=C1C 254290655 MXPUOQOVFHBHAO-KRWDZBQOSA-N 481.456 5.330 50 10 JKGE CCOc1ccc(NC(=O)C(=O)NN=C2CC[C@@H]3[C@@H]4CCc5cc(OC)ccc5[C@H]4CC[C@]23C)cc1 254303674 MNXVBXWQINRGGF-IKOOFXLXSA-N 489.616 5.061 50 10 JKGE CCOc1ccccc1C=NNC(=O)CSc1nnc(-c2ccc(C)cc2)n1C1CCCCC1 254383021 KPFBLQSDWATBRN-UHFFFAOYSA-N 477.634 5.400 50 10 JKGE CCOc1ccc(C=NNC(=O)CSc2nnc(-c3ccc(C)cc3)n2C2CCCCC2)cc1 254699231 MFLGNIIFJPXLJI-UHFFFAOYSA-N 477.634 5.400 50 10 JKGE COC(=O)[C@]1(C)CC[C@]2(C)CC[C@]3(C)C4=CC=C5C(=O)OC(=O)C=C5[C@]4(C)CC[C@]3(C)[C@H]2C1 257375589 AFYNUVCDKLFCAU-GCYRXFQKSA-N 452.591 5.455 50 10 JKGE BrCc1sc2cc(I)ccc2c1I 307429605 JBVKUPQIDZYKGY-UHFFFAOYSA-N 478.918 5.005 50 10 JKGE COc1c(C)cc(Br)c(C)c1[C@H](Br)c1ccc(OCc2ccccc2)cc1 380605794 FXEKJDFDLNGERP-JOCHJYFZSA-N 490.235 7.138 50 10 JKGE COc1ccc(Br)cc1[C@@H](Br)c1sccc1I 383416561 WQOODHFCPJLIBE-LLVKDONJSA-N 487.982 5.608 50 10 JKGE Cc1c(Br)cc(CCl)cc1S(=O)(=O)N(Cc1ccccc1)[C@@H](C)C1CC1 385405902 QNBGRPVHFRTKBB-HNNXBMFYSA-N 456.833 5.486 50 10 JKGE O=C(N[C@H](CBr)C1CCCCC1)c1cc(Cl)ccc1I 386264355 NKGWZTLPDXZDOM-CQSZACIVSA-N 470.576 5.018 50 10 JKGE CC(C)(C)[Si](C)(C)OCCc1cccc([C@@H]2COCCN2CCO[Si](C)(C)C(C)(C)C)c1 616640596 IGTLGFZMBSLBMP-DEOSSOPVSA-N 479.854 6.646 50 10 JKGE C[C@H]1CCN(Cc2ccccc2)C[C@H]1n1c(CCl)nc2cc(I)ccc21 716284621 WYPYUWDOYVAZHJ-MGPUTAFESA-N 479.793 5.463 50 10 JKGE Cc1cc(C=NNC(=O)CSCc2ccccc2Br)c(C)n1-c1cccc(Cl)c1 725446846 SJXZJHMQEODZDQ-UHFFFAOYSA-N 490.854 5.894 50 10 JKGE C[C@H](Cl)c1nc2cccc(Br)c2n1CCCOCCOCc1ccccc1 829313523 BGBQGJKYKOKQEN-INIZCTEOSA-N 451.792 5.722 50 10 JKGE Cc1cc(C=NNC(=O)[C@H](C)SCc2ccccc2)c(C)n1-c1ccc(Cl)c(Cl)c1 1084077671 WWPSOKXWMRIGEQ-KRWDZBQOSA-N 460.430 6.173 50 10 JKGE COc1cccc(C=NNC(=O)CSc2c(Cl)c(Cl)c(Cl)c(Cl)c2Cl)c1O 1084610985 MOYNENWJTKDHKC-UHFFFAOYSA-N 488.607 5.910 50 10 JKGE Cc1ccc(C)c(-n2c(C)c(Br)c(C=NNC(=O)[C@@H](C)Sc3ccccc3)c2C)c1 1084641220 BNZLUUGDIGUTAI-LJQANCHMSA-N 484.463 6.104 50 10 JKGE O=C(OCc1ccccc1)N1C[C@@H](CBr)[C@@H](c2cc3ccccc3nc2Cl)C1 1614690217 BTJYDXOFWVMZFS-MJGOQNOKSA-N 459.771 5.635 50 10 JKGE Cc1ccccc1C(=O)NN=C1CCCc2oc(C(=O)Nc3cccc(C(F)(F)F)c3)c(C)c21 1772743733 KLTTYKJXOZMHDV-UHFFFAOYSA-N 469.463 5.638 50 10 JKGE CCCOc1c(OC)cccc1[C@H]1C(C#N)=C(N)Oc2c1c(CCC)nn2Cc1ccc(Cl)cc1 1865692962 KHSZOTMFXBGTAQ-QHCPKHFHSA-N 493.007 5.553 50 10 JKGE CCCCCOc1ccc([C@H]2C(C#N)=C(N)Oc3c2c(C)nn3-c2ccccc2Cl)cc1OC 1865694898 FDTJSRHDXLBBLE-DEOSSOPVSA-N 478.980 5.630 50 10 JKGE COc1ccc(-c2nn(-c3ccc(Cl)c(Cl)c3)c3c2[C@H](c2cccs2)C(C#N)=C(N)O3)cc1 1865697710 AASIMQVSNXCLLQ-FQEVSTJZSA-N 495.391 6.134 50 10 JKGE CCCOc1ccccc1[C@H]1C(C#N)=C(N)Oc2c1c(C(F)(F)F)nn2Cc1ccccc1Cl 1865702914 IANLBWHLWMUVMO-IBGZPJMESA-N 488.897 5.611 50 10 JKGE CCc1nn(Cc2ccccc2)c2c1[C@H](c1ccccc1OCc1ccc(Cl)cc1)C(C#N)=C(N)O2 1865704184 PPYONAHNQMKNIP-AREMUKBSSA-N 496.998 5.944 50 10 JKGE CCc1ccc([C@@H]2C(C#N)=C(N)Oc3c2c(C(F)(F)F)nn3Cc2cccc(Cl)c2)cc1 1865709202 QZHAYQPCBIYZKY-GOSISDBHSA-N 458.871 5.384 50 10 JKGE CCc1ccc(-c2ccc(C(=O)N/N=C\c3cc(Cl)cc(Br)c3O)c(C)n2)cc1 1865760745 MRAUJLVYSGNKGV-ROTLSHHCSA-N 472.770 5.505 50 10 JKGE COCCOc1ccc(/C=C(\C#N)C(=O)Nc2nc(-c3ccc(Br)cc3)c(C)s2)cc1 1866215195 GYQBCKQYICSZPG-QGOAFFKASA-N 498.402 5.452 50 10 JKGE Cc1ccc(-c2nc(Nc3ccc(SC#N)cc3)cc(N3CCN(C)[C@H](c4ccccc4)C3)n2)cc1 1868320132 CHOGAYVSIXKZIV-SANMLTNESA-N 492.652 6.262 50 10 JKGE CCCCc1ccc(-c2csc(/C(C#N)=C(\O)CCCOc3ccccc3Cl)n2)cc1 1872745014 SXSYYSFIPWFCIS-ATJXCDBQSA-N 453.007 7.458 50 10 JKGE N#C/C(=C(/O)c1ccc(N2CCCC2)c([N+](=O)[O-])c1)c1nc(-c2cccc(Cl)c2)cs1 1872748003 CKLGVGONSSGFMK-FXBPSFAMSA-N 452.923 5.922 50 10 JKGE COC(=O)c1ccccc1N1C[C@@H](/C(O)=C(\C#N)c2nc(-c3ccc(C(C)C)cc3)cs2)CC1=O 1872751786 GBTMKXFYOTWOGX-GYGWLHPRSA-N 487.581 5.566 50 10 JKGE Cc1cc(C)c(-c2csc(/C(C#N)=C(\O)[C@@H](CC(C)C)N3C(=O)c4ccccc4C3=O)n2)c(C)c1 1872756916 HJNPJRSDTPODLL-SUBYVBAOSA-N 485.609 6.239 50 10 JKGE N#C/C(=C(/O)CN1C(=O)COc2ccc(Cl)cc21)c1nc(-c2cc(Cl)ccc2Cl)cs1 1872758890 VQDJWKRRGUJWQP-JXAWBTAJSA-N 492.771 5.989 50 10 JKGE COc1ccccc1-c1csc(/C(C#N)=C/c2cc(Br)c(OC(C)C)c(OC)c2)n1 1872784476 OAMMMYBHKUNCHY-CXUHLZMHSA-N 485.403 6.441 50 10 JKGE CC(C)(C)c1ccc(-c2csc(/C(C#N)=C/c3cccc(OCc4ccccc4)c3)n2)cc1 1872792348 SWNLMSWUEXSUMC-LFVJCYFKSA-N 450.607 7.751 50 10 JKGE N#C/C(=C(/O)c1ccc2c(c1)C(=O)N(C1CCCCC1)C2=O)c1nc(-c2ccc(F)cc2F)cs1 1872817893 CFIHVDJKWWINPL-ATJXCDBQSA-N 491.519 5.967 50 10 JKGE CCCOc1ccc(-c2csc(/C(C#N)=C(\O)Cc3ccc(OC)cc3)n2)cc1OCCC 1872818325 XFAFCHXMZLKYIK-LNVKXUELSA-N 464.587 6.432 50 10 JKGE CCN[C@H](c1c(Br)sc(Br)c1Br)[C@@H]1C[C@H]1Br 1897156766 UJBUXRLVEFRTLK-LRMHIPNDSA-N 496.888 5.470 50 10 JKGE O=C(c1cc(I)ccc1Br)N(CCCCl)Cc1ccccc1 1914602295 HHMYJUHHJYOTDV-UHFFFAOYSA-N 492.582 5.325 50 10 JKGE Cc1sc(C)c(S(=O)(=O)N(Cc2ccccc2)[C@H](CCl)C2CC2)c1Br 1915153003 SHNDFDJLUSHWHP-MRXNPFEDSA-N 462.862 5.336 50 10 JKGE CC(C)(CCl)N(Cc1ccccc1)c1ncc(C(F)(F)F)cc1I 1915757367 ZBKVVROGHWVWAG-UHFFFAOYSA-N 468.688 5.729 50 10 JKGE Cc1c(Br)sc([C@@H](Br)[C@@H]2C[C@@H]3O[C@H]2[C@H]2C[C@@H]32)c1Br 1922921299 PLEICGJXKACFQF-JLOHJIJVSA-N 457.025 5.441 50 10 JKGE Cc1cccc([C@@H](Br)c2sc(Br)cc2Br)c1Cl 1922934465 GYTYMLKRADDFQP-SNVBAGLBSA-N 459.428 6.719 50 10 JKGE Cc1ccccc1C[C@@H](Br)c1c(Br)sc(Br)c1Cl 1923050467 VNKCOBFVLKIPQO-SECBINFHSA-N 473.455 6.914 50 10 JKGE COc1cccc(C[C@H](Cl)c2c(Br)sc(Br)c2Br)c1 1924596926 VQTQMMUMEPCMAM-VIFPVBQESA-N 489.454 6.567 50 10 JKGE C[C@H]1COc2ccc([C@H](Br)c3cc(Br)cc(Br)c3)cc21 1925755957 NCCKTEIDZLRKEX-FVMDXXJSSA-N 460.991 6.192 50 10 JKGE Fc1cc(Br)cc(Oc2cccc(OCc3ccccc3)c2)c1CBr 2051131849 RFNKBHHRHBARRO-UHFFFAOYSA-N 466.144 6.854 50 10 JKGE Cc1cc(Br)c(CBr)c(N2C[C@@H]3CN(Cc4ccccc4)C[C@H]3C2)c1 2053220558 ZWTQKZDBJSYJHL-ROUUACIJSA-N 464.245 5.221 50 10 JKGE Cc1cscc1[C@@H](Br)c1c(C)c(Br)cc(C)c1Br 2081072881 ZGFDRSZIEHFYKH-CQSZACIVSA-N 453.037 6.683 50 10 JKGE FC1(F)CN(Cc2c(Br)cccc2Br)CC[C@@H]1CBr 2094090297 GEICWXZTEGLFNE-SECBINFHSA-N 461.970 5.064 50 10 JKGE O=S(=O)(c1ccc(CCl)c(Br)c1)N(Cc1ccccc1)CC1CCCC1 2095812819 CGFZWFMOKWMJFG-UHFFFAOYSA-N 456.833 5.569 50 10 JKGE COCc1cc(Br)c([C@@H](Br)c2c(Br)sc(C)c2C)s1 2101012820 VXUXUSCYXLBQJW-NSHDSACASA-N 489.092 6.582 50 10 JKGE Clc1ccc(I)c(CN2[C@H](CBr)C[C@@H]3CCC[C@@H]32)c1 2108395299 WPMBTRUYIQMNMB-XEGUGMAKSA-N 454.577 5.083 50 10 JKGE Brc1cccc(Br)c1CN1CC[C@H](Br)CC12CCC2 2113562938 ACIFVJHTGYNEBG-NSHDSACASA-N 452.028 5.494 50 10 JKGE CC1(C)C[C@H](CBr)CN(Cc2c(Br)cccc2Br)C1 2115951990 CDXPRPSHFRDUIG-LLVKDONJSA-N 454.044 5.455 50 10 JKGE Cc1cc(Br)c(CBr)c(Oc2cc(F)ccc2Br)c1 2116823924 HDSSYOKLSAQVEU-UHFFFAOYSA-N 452.943 6.346 50 10 JKGE CC(C)(C)OC(=O)N1CCC(CI)(OC[C@@H]2C[C@H]2c2ccccc2)CC1 2135990712 PNRGIRFNLIJARC-ROUUACIJSA-N 471.379 5.011 50 10 JKGE COc1ccc(C(C)C)cc1[C@H](Br)c1csc(I)c1 2139058835 KQAWVESEXXLRIG-OAHLLOKOSA-N 451.167 5.969 50 10 JKGE Brc1ccc([C@@H](Br)[C@H]2C[C@H]3COC[C@H](C3)C2)c(Br)c1 2141804412 WJNPKEHCXNHMQG-DDIVZENXSA-N 453.012 5.710 50 10 JKGE Cl[C@@H](c1ccc(Br)cc1I)c1csc2ccccc12 2142286651 GJTBKFZTFLGGSK-HNNXBMFYSA-N 463.565 6.597 50 10 JKGE COCCc1ccc([C@H](Br)c2c(Br)cccc2Br)cc1 2150495173 VVIMLXXCRFVJGH-INIZCTEOSA-N 463.007 5.885 50 10 JKGE Cc1c(Br)sc([C@H](Br)[C@H]2CCC[C@]3(C2)CC3(F)F)c1Br 2156116484 LBGGFDXYYDCYAV-PLMOITTCSA-N 493.049 7.233 50 10 JKGE ClCc1nc2cc(Cl)c(Br)cc2n1C[C@H]1CCCCN1Cc1ccccc1 2168998158 FHTSDHAMBWTNNM-MRXNPFEDSA-N 467.238 6.246 50 10 JKGE C[C@H]1C[C@@H](n2c(CCl)nc3ccc(F)c(Br)c32)CN(Cc2ccccc2)C1 2184260898 QONPQCBSWPBNFL-GOEBONIOSA-N 450.783 5.760 50 10 JKGE Cc1cc(Br)c(C)c([C@@H](Br)c2cccc(F)c2C)c1Br 2201081467 HFNXAEXEGHDXAX-INIZCTEOSA-N 464.998 6.760 50 10 JKGE COc1cc(F)c(F)cc1[C@@H](Cl)c1ccc(I)c(Br)c1 2204493949 ALUBXSHBCRYSFB-AWEZNQCLSA-N 473.482 5.669 50 10 JKGE COc1cc(Br)c(F)cc1Oc1cc(Br)ccc1CBr 2207463301 DNQPSOKUIKKPKL-UHFFFAOYSA-N 468.942 6.047 50 10 JKGE Cc1cc(Br)ccc1[C@@H](Br)c1sc(Br)c(C)c1C 2218789776 JGQQQFSBIHUZGG-GFCCVEGCSA-N 453.037 6.683 50 10 JKGE Cc1cc([C@H](Br)c2sc(Cl)cc2Br)cc(C)c1Br 2220198743 OCYVEHRKNRMPDX-LBPRGKRZSA-N 473.455 7.028 50 10 JKGE FC(F)(F)[C@@H]1CCO[C@H]1[C@H](Br)c1sc(Br)cc1Br 2223755673 DZPQIFWITOELAF-BTZDVCGTSA-N 472.946 5.677 50 10 JKGE CC(F)(F)[C@@H]1C[C@@H]1[C@H](Br)c1c(Br)cc(Cl)c(Cl)c1Cl 2224304090 FOXYIMXPMKVFJW-ZDEZVYLVSA-N 457.367 7.137 50 10 JKGE Cc1cc(Br)c([C@H](Br)[C@]23C[C@](C)(CO2)C3)c(C)c1Br 2227359149 FQDUNMDUCVMHTK-SOUVJXGZSA-N 453.012 5.834 50 10 JKGE CCc1nn(C)c([C@H](Br)c2c(Cl)sc(Br)c2Cl)c1Cl 2232175908 SQKDSMNJSZBXGI-ZCFIWIBFSA-N 467.441 6.251 50 10 JKGE FC1(F)CCOC[C@@H]1[C@H](Br)c1c(Br)cc(Cl)c(Cl)c1Cl 2232510664 HRYDSPITGPCXML-ANLVUFKYSA-N 473.366 6.517 50 10 JKGE Clc1cc(Br)c([C@@H](Br)[C@H]2CC23CCCCC3)c(Cl)c1Cl 2232529868 ZFEXGSPLNJUKGL-PELKAZGASA-N 461.452 7.816 50 10 JKGE Cc1cc(Br)c([C@H](Cl)c2cccc(Br)c2F)c(C)c1Br 2235604039 MEKUOSOEFYYDDF-CQSZACIVSA-N 485.416 7.058 50 10 JKGE Cc1cc(Br)c([C@@H](Br)c2cc3nc(O)[nH]c3cc2Br)s1 2237634086 UARJWCORINVKTJ-NSHDSACASA-N 481.007 5.648 50 10 JKGE Cc1sc([C@@H](Br)c2cccc(OCc3ccccc3)c2)c(Br)c1C 2246413704 MDDBPKNWVITRNT-IBGZPJMESA-N 466.238 7.191 50 10 JKGE C[C@@H](c1ccncc1Br)[C@@H](Cl)c1ccc(Cl)c(I)c1 2268270590 RMBVXIMIFUENHW-RMLUDKJBSA-N 470.963 6.186 50 10 JKGE Fc1cc(Br)c(F)c(Br)c1[C@H](Br)[C@@H]1C[C@H]2CC[C@H]1C2 2272725858 GQFDDRAZVVEDKA-OUDXYJABSA-N 458.966 6.362 50 10 JKGE Fc1cccc(Br)c1CC(CBr)(CBr)C1CCCC1 2273838285 GVQFTKFDUAPZJN-UHFFFAOYSA-N 457.019 6.097 50 10 JKGE Cc1ccc([C@@H](Br)c2cc3sc(Br)cc3s2)cc1Br 2278103477 VCMDTQVKTAPJOW-CQSZACIVSA-N 481.072 7.281 50 10 JKGE COc1ccc([C@H](Br)c2cccc(Cl)c2Cl)c(Br)c1Cl 2283561553 HEUKBMHIUKUENX-NSHDSACASA-N 459.392 6.902 50 10 JKGE Clc1ccc([C@H](Br)c2ccc([C@H]3CCOC3)s2)cc1I 2283580159 DAWIZWRSDGQXIG-BONVTDFDSA-N 483.596 5.994 50 10 JKGE CC(C)[C@H](CBr)N(Cc1ccccc1)c1cccc(C(F)(F)C(F)(F)F)n1 2286738654 WOCFGDVRTSIGBD-HNNXBMFYSA-N 451.277 6.162 50 10 JKGE Fc1cc(Br)c(F)c(Br)c1[C@@H](Br)[C@@H]1CC[C@H]2C[C@H]2CC1 2288374003 OKHBSAANHQNLGI-ZZIUEJKTSA-N 472.993 6.752 50 10 JKGE CCCCc1ccc(C[C@@H]2SC(=C(C#N)C(=O)Nc3ccccc3)N(c3ccccc3C)C2=O)cc1 2296506794 FOGNDZAHBFTSMJ-MHZLTWQESA-N 495.648 6.403 50 10 JKGE Cc1ccccc1C[C@H]1SC(=C(C#N)C(=O)NCc2ccccc2)N(c2ccc(Cl)cc2)C1=O 2296834942 FFONBSFQDNWJHT-XMMPIXPASA-N 488.012 5.391 50 10 JKGE C[C@H](C[C@H](Br)c1cc(Br)ccc1OCc1ccccc1)C(C)(C)C 2299499971 BEMMWDBLWBFZHY-BEFAXECRSA-N 454.246 7.536 50 10 JKGE Brc1cc(OCc2ccccc2)ccc1[C@@H](Br)[C@H]1[C@H]2CCCC[C@H]21 2299530917 QOPFTGKMUCIZTE-HRQSHJORSA-N 450.214 6.900 50 10 JKGE Cc1sc(Br)cc1[C@H](Cl)c1ccc(Cl)cc1I 2301797756 BDSPXYPGZXOPTI-GFCCVEGCSA-N 461.977 6.405 50 10 JKGE Cc1ccc(NC(=O)C(C#N)=Cc2cc(Cl)c(OCc3ccc4c(c3)OCO4)c(Cl)c2)cc1 2313568014 NOBHACQEWRLLFD-UHFFFAOYSA-N 481.335 6.155 50 10 JKGE FC(F)(F)C1CC([C@@H](Br)c2cc(Br)ccc2OCc2ccccc2)C1 2314455644 QGVLELFIMQANAY-WTNGLUPJSA-N 478.146 7.053 50 10 JKGE COc1cc(C=C(C#N)C(=O)Nc2cc(Cl)cc(Cl)c2)ccc1OCC(=O)Nc1ccccc1 2314490641 ZYBNLWJICRSIIX-UHFFFAOYSA-N 496.350 5.565 50 10 JKGE Cc1ccc(C)c(NC(=O)C(C#N)=Cc2c(Oc3ccccc3Cl)nc3ccccn3c2=O)c1 2314534141 ZILQYMWBSQIKDW-UHFFFAOYSA-N 470.916 5.303 50 10 JKGE CCCCc1ccc(N(C(=O)C(C#N)=Cc2ccccc2OC)S(=O)(=O)c2ccc(C)cc2)cc1 2314777763 SZDRFABZXUUMNS-UHFFFAOYSA-N 488.609 5.675 50 10 JKGE C[C@@H]([C@@H](Br)c1c(Cl)cc(Br)c(F)c1Br)C(C)(F)F 2315458614 ORBOVROUNQCAMK-RNHFCUEFSA-N 473.352 6.731 50 10 JKGE CC1(C)CCC[C@@H]([C@H](Br)c2sc(Cl)cc2I)CC1 2316604789 CLBKPLNTTPYFRN-SKDRFNHKSA-N 461.634 7.049 50 10 JKGE COc1ccc(C=CC(=O)Oc2ccc(C=C(C#N)c3ccccc3F)cc2OC)cc1OC 2320506914 UPQKKUFXIQBVAL-UHFFFAOYSA-N 459.473 5.534 50 10 JKGE COc1cc(C=C(C#N)c2ccccc2OC)ccc1OC(=O)c1ccc(Br)o1 2320506919 UQJGOSSPOZUDSJ-UHFFFAOYSA-N 454.276 5.343 50 10 JKGE CCOC(=O)c1c(NC(=O)C(C#N)=Cc2ccccc2)sc(C(=O)Nc2ccccc2)c1C 2325312719 WWHSSKOBDOEOAL-UHFFFAOYSA-N 459.527 5.031 50 10 JKGE N#CC(=CNc1ccc(I)cc1)C(=O)NC1CCCCCCCCCCC1 2325485788 KEYOZORGBHRGRA-UHFFFAOYSA-N 479.406 5.900 50 10 JKGE COc1cccc(C=C(C#N)c2cc3c(cc2[N+](=O)[O-])OCCO3)c1OCc1c(F)cccc1Cl 2331051644 VTDWSYLBLFABNE-UHFFFAOYSA-N 496.878 5.810 50 10 JKGE CC(C)COc1ccc(C(O)=C(C#N)c2nc(-c3cccc(Br)c3)cs2)cc1 2331278865 PSPKSXIASGJFBT-UHFFFAOYSA-N 455.377 6.557 50 10 JKGE N#CC(=C(O)CCCOc1ccc(Cl)cc1Br)c1nc(-c2ccccc2)cs1 2331304943 WKZDAGDBGOGWCS-UHFFFAOYSA-N 475.795 6.878 50 10 JKGE CC[C@@H](C)N1C(=O)c2ccc(C(O)=C(C#N)c3nc(-c4ccc(F)c(C)c4)cs3)cc2C1=O 2331320491 VZLQCMWPJILOFE-CQSZACIVSA-N 461.518 5.602 50 10 JKGE CCCCCCOc1ccc(C(O)=C(C#N)c2nc(-c3ccc(OC)c(C)c3C)cs2)cc1 2331361430 TUVNMTJNJUYAOF-UHFFFAOYSA-N 462.615 7.345 50 10 JKGE COC(=O)c1ccc(C=CC(O)=C(C#N)c2nc(-c3cc(OC)c(Cl)cc3OC)cs2)cc1 2331377347 NPPOPSPMGKMAEB-UHFFFAOYSA-N 482.945 5.773 50 10 JKGE COc1ccc(-c2csc(C(C#N)=Cc3ccc(OCc4ccccc4Cl)cc3)n2)cc1 2331431486 LKKCWPKVHJODOC-UHFFFAOYSA-N 458.970 7.115 50 10 JKGE COc1cccc(C=C(C#N)c2nc(-c3cccc(Cl)c3)cs2)c1OCc1cccc(C)c1 2331440164 JTQBWPHHIMEAQE-UHFFFAOYSA-N 472.997 7.424 50 10 JKGE COc1c(Br)cc(C)c([C@H](Br)C23CC(CO2)C3)c1Br 2339658803 LWHTUSAHHUYLPW-KQZUMFKRSA-N 454.984 5.144 50 10 JKGE Cc1cc([C@H](Br)c2ccc(Cl)cc2I)c(C)cc1Cl 2340063150 HRSZTIZNUXFUGS-OAHLLOKOSA-N 469.975 6.699 50 10 JKGE C[C@H](c1ccncc1F)[C@H](Br)c1cc(Br)cc(Br)c1 2344692325 LGXAMSKSMVXAKS-CLAHSXSESA-N 451.959 5.985 50 10 JKGE Cc1cnc(OCc2ccc(I)c(Br)c2)cc1CCl 2350072925 HQNQLSALHHYMIE-UHFFFAOYSA-N 452.517 5.075 50 10 JKGE COc1c(Br)cc(C)c([C@H](Br)[C@@]23CCC[C@H]2CC3)c1Br 2365175118 DCWYTPSNUSPWMM-CIISACIHSA-N 467.039 6.545 50 10 JKGE C[C@@H](Br)CN(C(=O)c1cc(Cl)ccc1I)C1CCCC1 2368859613 FMBZTQLNXBHWTK-SNVBAGLBSA-N 470.576 5.113 50 10 JKGE Cc1nc([C@H](Br)c2cc3c(cc2Br)OCCC3)c(Br)s1 2369621041 JAVOMOGKWPLVEZ-GFCCVEGCSA-N 482.035 5.786 50 10 JKGE CC1(C)CC[C@@H](Cl)[C@@H](CNCc2ccc(I)c(Br)c2)C1 2377338988 BDIAPBOXRZYDQA-TZMCWYRMSA-N 470.620 5.577 50 10 JKGE CC1CCC([C@@H](CBr)NCc2ccc(Cl)c(I)c2)CC1 2379751499 BXLCGSACCIZHGS-IJGSQOGDSA-N 470.620 5.624 50 10 JKGE CCCCCCOc1ccc(Br)cc1C(=O)NNC(=O)COc1ccc(Cl)c(C)c1 14648228 CFIDDWXAWWYCAM-UHFFFAOYSA-N 497.817 5.210 50 10 JKGE CCCCOc1ccc(/C=C(\C#N)c2nc(-c3ccc(Br)cc3)cs2)cc1OC 33601796 OTHYOOQMALYKLC-LDADJPATSA-N 469.404 6.824 50 10 JKGE CCCCN(CC(=O)N1c2ccccc2-n2cccc2[C@@H]1c1cccc(Cl)c1)C(=O)[C@H](C)Cl 35708129 LPIPGXXKZQCQHM-BVZFJXPGSA-N 484.427 5.823 50 10 JKGE CCOc1cc(CBr)cc(Br)c1OCc1ccc(Br)s1 36825258 SOSLDQKGXYPIQE-UHFFFAOYSA-N 485.035 6.146 50 10 JKGE O=[N+]([O-])c1ccc(COc2ccc(Br)cc2CBr)c(Br)c1 37516522 RMQGXNDVEGKHIU-UHFFFAOYSA-N 479.950 5.594 50 10 JKGE CCCCOc1ccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4ccccc4C)ccc32)cc1OC 38660055 ZUQMBYFRHOEPMJ-MHZLTWQESA-N 484.552 5.620 50 10 JKGE Cc1cc(OCC(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@@H]3c2c(F)cccc2Cl)ccc1Cl 38680488 PDTSRGZTLDBDQP-HSZRJFAPSA-N 499.325 5.644 50 10 JKGE CCOc1cccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4ccc(OC(C)C)cc4)ccc32)c1 38684918 CNSWQBKFYVUIIL-SANMLTNESA-N 470.525 5.310 50 10 JKGE CCCCC1CCC(C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@@H]3c2ccc(OC)c(OC)c2)CC1 38688621 NZDDADBDFJFDHF-AVEQNKPZSA-N 490.600 5.824 50 10 JKGE Cc1cccc(NC(=O)c2oc3c(c2C)/C(=N/NC(=O)c2ccc(Cl)cc2Cl)CCC3)n1 40813751 WAWHXYAIPKZFPY-OGLMXYFKSA-N 471.344 5.321 50 10 JKGE COc1cc(/C=N/NC(=O)COc2ccc(C)cc2C(C)(C)C)ccc1OCc1ccccc1 40846810 PMYFMBGAHAEVPX-STBIYBPSSA-N 460.574 5.409 50 10 JKGE C=CCn1c(CCc2ccccc2)nnc1SCC(=O)N/N=C(\C)c1ccc2ccccc2c1 58991237 BXCHPGNTNKMJDN-VFCFBJKWSA-N 469.614 5.035 50 10 JKGE N#C/C(=C/Nc1ccc(I)cc1)c1nc(-c2ccc3c(c2)OCO3)cs1 100419195 KSLZMJLPZIWRGV-LCYFTJDESA-N 473.295 5.120 50 10 JKGE N#C/C(=C/Nc1ccc2oc(=O)ccc2c1)c1nc(-c2cccc(Br)c2)cs1 102415582 DUJJXYLPLPJJQH-PTNGSMBKSA-N 450.317 5.656 50 10 JKGE Cn1cc(/C=C(/C#N)C(=O)Nc2ncc(Cc3cccc(Cl)c3Cl)s2)c2ccccc21 102957845 POFKLXRAGORUQQ-DHDCSXOGSA-N 467.381 6.078 50 10 JKGE Clc1cc(Br)ccc1[C@H](Cl)c1cc(Br)ccc1Br 109803279 NYCLEEPGVFWXIF-ZDUSSCGKSA-N 473.817 6.956 50 10 JKGE COc1ccc(C(Br)c2ccc(OC)c(Br)c2)cc1Br 109833842 JFKSWRVKNBNIAH-UHFFFAOYSA-N 464.979 5.713 50 10 JKGE CCOc1cc(Br)c([C@@H](Br)c2ccc(Cl)s2)cc1OCC 109864966 SBHDHDAGARQEGV-OAHLLOKOSA-N 454.611 6.446 50 10 JKGE Brc1cc([C@@H](Br)c2cc3c(s2)CCCCC3)c(Br)s1 109869750 MWWFWMRERABBDA-CYBMUJFWSA-N 485.104 7.088 50 10 JKGE O=c1[nH]c2cc(Br)c([C@H](Br)c3ccc(Br)cc3F)cc2[nH]1 109884396 WBICRZGNVAGWBJ-CYBMUJFWSA-N 478.941 5.005 50 10 JKGE BrCC(CBr)(Cc1cscn1)c1cccc(Br)c1 118671879 NGLTVDZSWULENR-UHFFFAOYSA-N 454.025 5.176 50 10 JKGE Brc1ccc2cc([C@H](Br)c3ccc(Br)s3)ccc2c1 134986742 KRKFZPOSYJASSK-HNNXBMFYSA-N 461.016 6.911 50 10 JKGE CCCOc1c(Cl)cc(/C=N/NC(=O)c2nn(-c3ccccc3)c3c2CCC3)cc1Cl 169927687 XSAPSEKHEFPUGY-VULFUBBASA-N 457.361 5.221 50 10 JKGE COc1ccc([C@H](Cl)c2cccc(Br)c2Cl)c(OC)c1Br 224833532 XBBDTNREJPHULD-CYBMUJFWSA-N 454.973 6.210 50 10 JKGE FC(F)(F)c1cc(Br)ccc1[C@@H](Br)c1sccc1Br 229518934 FRUIFXNZMVHLKG-SNVBAGLBSA-N 478.953 6.776 50 10 JKGE C[C@H]1CCC[C@@](CBr)(NC(=O)c2ccc(I)c(Cl)c2)C1 232349291 HRNRAIHYELRPFS-ZUZCIYMTSA-N 470.576 5.018 50 10 JKGE BrCc1cc(Br)c(OCCSc2ccccc2)c(Br)c1 232484612 GZOCNLBZMOULMG-UHFFFAOYSA-N 481.047 6.278 50 10 JKGE COc1cccc(C=NNC(=O)c2ccc(COc3ccccc3-c3ccccc3)cc2)c1OC 254876729 PFTOVGRTFZKBRR-UHFFFAOYSA-N 466.537 5.714 50 10 JKGE CCCCCCOc1ccc(C=NNC(=O)Nc2sc3c(c2C(=O)OC)CCCC3)cc1OC 256017510 PSEDLAGOIMYEGM-UHFFFAOYSA-N 487.622 5.537 50 10 JKGE 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 257446736 IOFXIXOKOAYADV-BQGRMFOBSA-N 470.694 6.580 50 10 JKGE biogenic CSc1ccc(C=NNC(=O)CSc2nc3ccccc3n2Cc2ccc(C)cc2)cc1 263629466 MZUGXWWUMURCAA-UHFFFAOYSA-N 460.628 5.357 50 10 JKGE FC1(F)CC[C@H](CC(CBr)(CBr)c2cccc(Br)c2)C1 312138175 XCMRXONPWYOPLW-LLVKDONJSA-N 475.009 6.302 50 10 JKGE O=C(OCc1ccccc1)N1C[C@H](CI)[C@H](c2c(F)cccc2Cl)C1 382696218 KVYIYYMXQYAGKF-LSDHHAIUSA-N 473.713 5.266 50 10 JKGE Clc1cc([C@@H](Br)c2ccc(OCc3ccccc3)cc2)c(Cl)c(Cl)c1Cl 404822038 DNQGXEJUGPLDEZ-KRWDZBQOSA-N 491.039 8.364 50 10 JKGE CCC(CC)([C@H](Br)c1cc(Br)c(C)cc1Br)C(F)(F)F 690975322 BPEVOGCGUOLWTL-GFCCVEGCSA-N 480.988 7.325 50 10 JKGE Fc1ccc([C@H](Br)c2ccc(Br)cc2Cl)c(F)c1Br 691638384 ZGGOSBPVWKFEAN-LLVKDONJSA-N 475.352 6.628 50 10 JKGE O=C1CCc2cc([C@H](Br)c3scc(Br)c3Br)ccc2N1 705463636 LMWAGNHTUKEZLU-LBPRGKRZSA-N 480.019 5.642 50 10 JKGE O=C(c1scc(Br)c1Br)N(CCBr)c1ccccc1 714518912 VTRJCSXVGCCJCV-UHFFFAOYSA-N 468.008 5.315 50 10 JKGE N#C/C(=C/c1ccc(OC(=O)c2cccc3ccccc23)cc1)C(=O)Nc1cccc([N+](=O)[O-])c1 1083890438 XIDRVPSLSYWKRA-HKWRFOASSA-N 463.449 5.513 50 10 JKGE CC(C)(C)c1ccc(C=NNC(=O)CSc2c(Cl)c(Cl)c(Cl)c(Cl)c2Cl)cc1 1084065205 YWFVCDPNVNVOPC-UHFFFAOYSA-N 498.690 7.494 50 10 JKGE C=CCc1cc(/C=C(\C#N)C(=O)Nc2cccc(Cl)c2Cl)cc(OCC)c1OCC#N 1084280039 SRRWDKXQNRVCQI-SFQUDFHCSA-N 456.329 5.569 50 10 JKGE Cc1cccc(NCCCC(=O)NN=Cc2ccccc2OCc2cccc(Br)c2)c1 1084471505 LEZLVROYKHDLQA-UHFFFAOYSA-N 480.406 5.679 50 10 JKGE COc1ccccc1/C(C#N)=C/c1cccc(OC(=O)CC(c2ccccc2)c2ccccc2)c1 1615179623 PTSQBGTZKKZUPI-LGUFXXKBSA-N 459.545 6.887 50 10 JKGE CCOc1cc(C=NNC(=O)c2cc(-c3ccccc3)nc3ccccc23)cc(Br)c1O 1772719649 IZHZQPFAUZGKBV-UHFFFAOYSA-N 490.357 5.533 50 10 JKGE COc1ccc(-c2nn(-c3ccccc3)cc2C=NNC(=O)CSc2nc3ccccc3s2)cc1 1772724893 AVSFQPYVUOORJD-UHFFFAOYSA-N 499.621 5.400 50 10 JKGE CCc1nn(Cc2c(F)cccc2Cl)c2c1[C@@H](c1ccc(Cl)c(Cl)c1)C(C#N)=C(N)O2 1865686018 QGQMEQLDHAXTJQ-IBGZPJMESA-N 477.754 5.811 50 10 JKGE CCCn1nc(-c2ccc(OC)cc2)c2c1OC(N)=C(C#N)[C@@H]2c1ccc(Cl)cc1Cl 1865686585 XJTFXHFSTBDMMS-IBGZPJMESA-N 455.345 5.494 50 10 JKGE Cc1ccc(COc2ccc([C@@H]3C(C#N)=C(N)Oc4c3c(C)nn4-c3cccc4ccccc34)cc2)cc1 1865692343 FATAMBUUDMQWRW-SSEXGKCCSA-N 498.586 6.440 50 10 JKGE CCOc1ccc([C@@H]2C(C#N)=C(N)Oc3c2c(-c2ccccc2)nn3-c2cccc(Cl)c2)cc1 1865694054 OUXWGESXVCHRCL-HSZRJFAPSA-N 468.944 5.810 50 10 JKGE CCc1nn(-c2ccccc2)c2c1[C@H](c1ccccc1OCc1ccc(Cl)cc1)C(C#N)=C(N)O2 1865704196 PUMIIZABQOBNHA-RUZDIDTESA-N 482.971 5.885 50 10 JKGE CCCc1nn(Cc2ccc(Cl)c(Cl)c2)c2c1[C@H](c1ccc(CC)cc1)C(C#N)=C(N)O2 1865708730 DXJCDEYCXWFCOU-JOCHJYFZSA-N 467.400 5.971 50 10 JKGE COc1ccc(/C=C(\C(=O)NNC(=O)c2sc(Cc3ccccc3)nc2C)c2ccccc2)cc1 1865845248 OHEDWWROWYQJFD-ULJHMMPZSA-N 483.593 5.053 50 10 JKGE CCc1nc(Nc2ccc(SC#N)cc2)cc(N2CCN(CCCc3cccc(Cl)c3)CC2)n1 1868278299 ZNXDDIPDRDYPGA-UHFFFAOYSA-N 493.080 5.764 50 10 JKGE CCOc1ccc(-c2nc(Nc3ccc(SC#N)cc3)cc(N3[C@H](C)COC[C@H]3C)n2)cc1 1868527916 KCWYJYWIAWZSCE-QZTJIDSGSA-N 461.591 5.473 50 10 JKGE COc1cc(/C=C2\Oc3cc(OCc4cccc(CCl)c4)cc(C)c3C2=O)cc(OC)c1OC 1871437385 VEGBRJWKQQSLHX-YVNNLAQVSA-N 480.944 5.955 50 10 JKGE N#C/C(=C(/O)c1ccc2c(c1)C(=O)N(Cc1ccccc1)C2=O)c1nc(-c2ccccc2)cs1 1872748196 MRLSVWMTRRLEQL-GYHWCHFESA-N 463.518 5.556 50 10 JKGE Cc1cc(C)c(C)c(-c2csc(/C(C#N)=C(\O)CCCOc3ccc(Cl)cc3Cl)n2)c1C 1872754058 AIZLJYWZPNDALI-QOCHGBHMSA-N 487.452 8.002 50 10 JKGE Cc1ccc(C(C)(C)C)cc1-c1csc(/C(C#N)=C(\O)[C@@H](C(C)C)N2C(=O)c3ccccc3C2=O)n1 1872755917 LUHYBXWBNLCXEJ-FOSWXRMZSA-N 499.636 6.530 50 10 JKGE Cc1cc(Br)c([C@H](Cl)c2c(Br)c(C)nn2C)cc1Br 1877175231 LLVFPHCNHSKJIO-LBPRGKRZSA-N 471.418 5.653 50 10 JKGE CCCC1CCC([C@H](Br)c2sc(Br)c(C)c2Br)CC1 1878039005 KFHTYRBPGHKRAA-XIVSLSHWSA-N 473.112 7.624 50 10 JKGE BrCc1cc(Br)c(OC[C@@]23CC[C@@H](CO2)C3)c(Br)c1 1878926415 BSISAKHRCWZMMM-OTYXRUKQSA-N 454.984 5.054 50 10 JKGE C[C@@H]1CN(Cc2ccccc2)C[C@H]1Cn1c(CCl)nc2c(Br)cc(F)cc21 1912655605 WXSZOGGHKWPZOM-ZBFHGGJFSA-N 450.783 5.445 50 10 JKGE C[C@H]1[C@H](n2c(CCCl)nc3c(Br)cc(F)cc32)CCN1Cc1ccccc1 1912687325 KVZUFALNNGPGHA-KBXCAEBGSA-N 450.783 5.555 50 10 JKGE O=C(c1ccc(Br)c(F)c1)N(Cc1ccccc1)C1(CBr)CCC1 1915756862 PBHSUSHJKZHSMP-UHFFFAOYSA-N 455.165 5.548 50 10 JKGE CC(C)(CBr)N(Cc1ccccc1)C(=O)c1ccc(Br)c(C(F)(F)F)c1 1915765380 INYXCEHFRBYGTF-UHFFFAOYSA-N 493.161 6.284 50 10 JKGE COc1ccccc1C[C@@H](Br)c1sc(Br)c(C)c1Br 1922901540 NGZKPNCZNKLBNR-SNVBAGLBSA-N 469.036 6.269 50 10 JKGE Brc1cc(Br)c([C@@H](Br)c2ccoc2Br)s1 1922921945 WOCPBLFAMLWFCV-ZETCQYMHSA-N 479.813 6.113 50 10 JKGE Fc1cccc([C@H](Br)c2sc(Br)cc2Br)c1Cl 1922934542 HQJRKYXJFLBRAV-VIFPVBQESA-N 463.391 6.550 50 10 JKGE Fc1ccc([C@H](Br)c2sc(Br)cc2Br)c2ccccc12 1922954590 PSQZYGXJNOLAAF-AWEZNQCLSA-N 479.006 7.050 50 10 JKGE CCOc1ccccc1[C@H](Br)c1c(Br)sc(Br)c1Cl 1923068448 RPUKJRUZVQZQSJ-JTQLQIEISA-N 489.454 6.810 50 10 JKGE Clc1c(Br)sc(Br)c1[C@H](Br)C1CC[C@@H]2C[C@H]2CC1 1923068462 RUDJOUIVUQSMLT-NQMVMOMDSA-N 477.487 7.189 50 10 JKGE CC[C@H]1CC[C@H]([C@@H](Cl)c2c(Br)sc(Br)c2Br)CC1 1924585122 HSHXSFQCTVJFLS-SOCHQFKDSA-N 479.503 7.532 50 10 JKGE Clc1cccc(C[C@H](Cl)c2c(Br)sc(Br)c2Br)c1 1924591899 VAUKTNMWQXWCAS-QMMMGPOBSA-N 493.873 7.212 50 10 JKGE Brc1sc(Br)c([C@H](Br)[C@]23COC[C@@H]2C3)c1Br 1924609469 YGNHFCYJGXMVOC-WXLWJSHRSA-N 495.856 5.508 50 10 JKGE CCc1sc(Br)cc1[C@H](Br)c1cccc(OCc2ccccc2)c1 1943031311 UIIMBPRWUZECAH-HXUWFJFHSA-N 466.238 7.136 50 10 JKGE Cl[C@@H](c1cc(C2CC2)c(Br)s1)c1sccc1I 1945804431 VFRPKILWNJIPNW-JTQLQIEISA-N 459.599 6.382 50 10 JKGE BrCc1c(Br)cccc1N1C[C@@H]2CCN(Cc3ccccc3)[C@H]2C1 2015068077 NZYYWHODHXJNBP-JXFKEZNVSA-N 450.218 5.055 50 10 JKGE CN(CCN(Cc1ccccc1)S(=O)(=O)c1cc(Cl)cc(CCl)c1F)Cc1ccccc1 2034753565 VXPNESOTOJDELD-UHFFFAOYSA-N 495.447 5.541 50 10 JKGE CCN(CC)CCN(Cc1ccccc1)c1cc(C)cc(Br)c1CBr 2053214612 VWVDHKSZPHYAOE-UHFFFAOYSA-N 468.277 6.001 50 10 JKGE Brc1cc(Br)c([C@H](Br)c2ccc3sncc3c2)s1 2057039864 XNUFPZAPXHHKOR-LLVKDONJSA-N 468.033 6.367 50 10 JKGE CC(C)(C)N(Cc1ccccc1)S(=O)(=O)c1cc(Br)cc(CBr)c1F 2059292415 WWWLKICYMXTBLA-UHFFFAOYSA-N 493.236 5.473 50 10 JKGE COC1CC(CCOc2c(Br)cc(CBr)cc2Br)C1 2130335544 KHHZLMLODPJHSP-UHFFFAOYSA-N 457.000 5.300 50 10 JKGE F[C@H]1[C@@H](Br)C[C@H]2CC[C@H]1N2Cc1ccc(Br)cc1Br 2134126990 RDIIFIFHAPGPFQ-CABNGKKXSA-N 455.991 5.050 50 10 JKGE CC(C)(C)[C@@H]1C[C@H]1COc1c(Br)cc(Br)cc1CBr 2135639647 JSAOXVYEFBJTMZ-CMPLNLGQSA-N 455.028 6.168 50 10 JKGE C[C@H](Cl)c1nc2cc(F)c(Br)cc2n1C1(CCOCc2ccccc2)CC1 2146507714 PTUWWJLDWOKBMX-AWEZNQCLSA-N 451.767 6.334 50 10 JKGE CCCC(CBr)(CCC)CN=[S@](C)(=O)[C@@H]1CCCN(C(=O)OC(C)(C)C)C1 2163058779 NRIYMVMJUPZUCJ-XGCWNURASA-N 467.514 5.465 50 10 JKGE CCc1cc([C@@H](Br)Cc2ccccc2I)c(F)cc1F 2175390406 AEGUOKPBZOVLEI-ZDUSSCGKSA-N 451.092 5.811 50 10 JKGE Cc1cc(Br)c([C@H](Br)C(F)(F)C2CCCCC2)cc1Br 2185258697 YEMPNGKGHHQHRV-AWEZNQCLSA-N 475.009 7.172 50 10 JKGE COc1cc([C@@H](Br)c2cc(C3CC3)c(Br)s2)ccc1Br 2192152471 QYJYXUNNIJKJDR-CQSZACIVSA-N 481.047 6.643 50 10 JKGE C[C@@H]1CCC[C@H](O[C@](C)(CI)c2ccccc2Br)[C@@H]1C 2201017302 NVHQJFIKBWYTFS-UTJXIGIESA-N 451.186 5.941 50 10 JKGE COc1cc(Cl)c([C@@H](Br)c2ccc(Cl)c(Cl)c2)cc1Br 2202349265 WYUCIAFQNQKTEL-AWEZNQCLSA-N 459.392 6.902 50 10 JKGE COc1cc(Cl)c([C@@H](Br)c2ccc(I)c(C)c2)cc1Cl 2207105990 WASKQRNYVGDQAT-HNNXBMFYSA-N 485.974 6.399 50 10 JKGE Cc1sc(Br)c(C)c1[C@H](Br)c1c(F)cccc1Br 2218801280 SUHFKKWBZQCBSB-LBPRGKRZSA-N 457.000 6.513 50 10 JKGE Cc1sc([C@@H](Br)c2ccc(F)c(Br)c2F)c(Br)c1C 2229322994 NDLXVLPEIIODRJ-JTQLQIEISA-N 474.990 6.652 50 10 JKGE Cc1cc([C@@H](Cl)c2c(Br)cc(C)c(Cl)c2C)ccc1I 2232508119 BEZVRNVDXKPLDE-MRXNPFEDSA-N 484.002 6.961 50 10 JKGE CC(C)(C)C1CC([C@@H](Br)c2c(Br)cc(Cl)c(Cl)c2Cl)C1 2232512516 NMNOJAICRHXDSD-WZQIAMPNSA-N 463.468 7.918 50 10 JKGE Fc1cc(Br)c(Br)cc1[C@@H](Br)[C@H]1CC2(CCCC2)CO1 2233981255 FZARRBXDJDMUKT-ZIAGYGMSSA-N 471.002 6.136 50 10 JKGE COc1cc(Br)c([C@H](Br)c2scc(Br)c2C)cc1OC 2234518495 WIISMLRCRGZUIA-ZDUSSCGKSA-N 485.035 6.083 50 10 JKGE Cl[C@@H](c1cc(Br)cc(Br)c1)c1ccc2c(c1Br)CCO2 2238071069 KRHLJSUJNBLQPY-HNNXBMFYSA-N 481.409 6.237 50 10 JKGE Cc1c(Br)sc([C@H](Br)c2cocc2Br)c1Br 2244215341 CEMXHVFZBCYENS-MRVPVSSYSA-N 493.840 6.421 50 10 JKGE Cc1cc(F)c(Br)cc1[C@H](Br)c1sc(Br)cc1C 2258106273 JKAJTPPGUFKQFE-LBPRGKRZSA-N 457.000 6.513 50 10 JKGE COc1ccc([C@@H](Br)c2cocc2Br)c(Br)c1Cl 2258148088 LNMJNHYCBYJWOZ-SNVBAGLBSA-N 459.359 5.951 50 10 JKGE COc1sc([C@H](Br)c2cc(F)c(Br)cc2Cl)cc1Br 2267749241 LLKOPMROMWJQEH-LLVKDONJSA-N 493.417 6.559 50 10 JKGE COc1ccc([C@H](Br)c2cc(C)c(Br)o2)c(Br)c1Cl 2268282491 XLWHRWRNUPDTRE-JTQLQIEISA-N 473.386 6.259 50 10 JKGE Fc1cc(C[C@H](Br)c2cc(Br)ccc2Br)ccc1Cl 2277791913 MMDNOENEXRCUGJ-LBPRGKRZSA-N 471.389 6.683 50 10 JKGE Clc1cccc(Cl)c1[C@H](Br)Cc1cc(Br)cc(Br)c1 2277961594 VXJYEBWKCHDVSX-LLVKDONJSA-N 487.844 7.197 50 10 JKGE CC(C)c1cc(Br)cc([C@H](Br)c2c(Cl)sc(Cl)c2Cl)c1 2280677679 UVEHEFAIRASEOH-NSHDSACASA-N 477.476 8.079 50 10 JKGE Fc1cc([C@@H](Br)Cc2ccc(Cl)c(Cl)c2)c(Cl)cc1Br 2282969784 GZTGKYYVMWCRCW-VIFPVBQESA-N 461.383 7.227 50 10 JKGE C[C@@H]1CCC[C@@](CBr)(NC(=O)c2ccc(Cl)c(I)c2)C1 2283657764 VLLBJNTXCOXMOW-MEBBXXQBSA-N 470.576 5.018 50 10 JKGE Cc1cc(Cl)c([C@H](Br)c2cc(Br)c(F)cc2Cl)cc1Cl 2285985957 ONAILEMDLYLLMX-CQSZACIVSA-N 461.383 7.341 50 10 JKGE C=C1CC[C@@H](O[Si](C)(C)C(C)(C)C)CC1=CC=C1CCC[C@@]2(C)[C@H]1CC[C@@H]2[C@H](C)CCCC(C)C 2293797729 DWIUSINKAVTSCC-PPJKYQRASA-N 498.912 10.649 50 10 JKGE COc1c(Br)cc(Cl)c(C)c1[C@H](Cl)c1c(C)nsc1Br 2295266507 AXDAGGPSWZTMCO-NSHDSACASA-N 460.018 6.275 50 10 JKGE FC(F)(F)[C@@H]1CCC[C@H]1[C@H](Br)Cc1cc(Br)cc(Br)c1 2295330240 SQSOLWWKMUXLCM-JHJVBQTASA-N 478.972 6.496 50 10 JKGE COc1ccc(-c2nn(Cc3ccc(F)cc3)cc2C=C(C#N)C(=O)Nc2ccccc2C)cc1OC 2295635802 LTRKWKJXWOYWJB-UHFFFAOYSA-N 496.542 5.609 50 10 JKGE C=CCOc1ccc(-c2nn(-c3ccccc3)cc2C=C(C#N)c2nc3ccccc3n2C)cc1C 2296729402 HEGGTSZFYVQRSV-UHFFFAOYSA-N 471.564 6.363 50 10 JKGE COc1cc(C=C(C#N)c2nc(-c3ccc([N+](=O)[O-])cc3)cs2)ccc1OCc1ccccc1 2296790171 UKJHUVMQXLWLSN-UHFFFAOYSA-N 469.522 6.370 50 10 JKGE N#CC1=C(S)N(c2ccccc2)[C@@H](C=Cc2ccc(-c3ccc(Cl)cc3Cl)o2)NC1=O 2296819071 QWHDDLHBTAHTHE-NRFANRHFSA-N 468.365 5.894 50 10 JKGE Brc1ccc(OCc2ccccc2)c([C@H](Br)[C@H]2C[C@H]3CC[C@H]2O3)c1 2299500691 HZWDGXBFVMWZMB-VUBSUSDNSA-N 452.186 6.032 50 10 JKGE CCCc1sc(Br)cc1[C@H](Br)c1sncc1Br 2300649086 QDIOJDRGZSPSEH-JTQLQIEISA-N 460.054 6.166 50 10 JKGE ClC[C@@H](Br)[C@@H](CCl)OCc1cc(I)ccc1Cl 2307206624 MHLCKNMUIAHQNH-MWLCHTKSSA-N 472.375 5.071 50 10 JKGE Cc1cc(C=C(C#N)c2ccc(Br)cc2)c(C)n1-c1ccc(C(=O)O)c(Cl)c1 2313565068 PKQOVTWSDCAFJB-UHFFFAOYSA-N 455.739 6.272 50 10 JKGE Cc1ccc(C(=O)Oc2cccc(C=C(C#N)C(=O)Nc3cccc(Cl)c3Cl)c2)cc1 2313631884 XYZQDIISYOZJBN-UHFFFAOYSA-N 451.309 6.067 50 10 JKGE Fc1ccc(Cl)cc1[C@@H](Br)c1cc(Br)ccc1OCc1ccccc1 2314490949 OYIJSZINEKGWEB-HXUWFJFHSA-N 484.590 7.305 50 10 JKGE Fc1cc(Br)ccc1[C@H](Cl)c1ccc(OCc2ccccc2)cc1Br 2314497378 JUNDMKSRSQEQPI-HXUWFJFHSA-N 484.590 7.258 50 10 JKGE COc1c([C@H](Cl)c2ccc(OCc3ccccc3)cc2Br)csc1Cl 2314500062 JOEAKMDNQOQOOO-QGZVFWFLSA-N 458.204 7.080 50 10 JKGE C=CCNC(=O)C(C#N)=C1S[C@H](Cc2cc(Cl)cc(Cl)c2)C(=O)N1c1ccc(CC)cc1 2314593527 OMVRHORDYUGFDU-OAQYLSRUSA-N 486.424 5.284 50 10 JKGE COc1ccc(C=CC(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@H]3c2ccc(Cl)c(Cl)c2)cc1 2314634634 RKPKKQAZNJJGCW-VWLOTQADSA-N 493.346 5.839 50 10 JKGE CCCCOc1ccc(C=C(C#N)C(=O)Oc2ccc(C(=O)Nc3ccc(C)cc3)cc2)cc1 2314736027 PGDFAZBABWUHFG-UHFFFAOYSA-N 454.526 5.939 50 10 JKGE CCCOc1ccc(C=C(C#N)C(=O)Nc2sc3c(c2C(=O)OCC)[C@@H](C)CCC3)cc1 2314754937 JEHJAZAGSZTGHK-INIZCTEOSA-N 452.576 5.699 50 10 JKGE COc1cc(C=C(C#N)C(=O)NC(C)C)ccc1OC(=O)CCCOc1ccc(C(C)C)c(C)c1 2314808179 PWYRGLVLCGCGMG-UHFFFAOYSA-N 478.589 5.323 50 10 JKGE CC(C)C[C@H](C)[C@H](Br)c1c(Cl)cc(Br)c(F)c1Br 2315444118 RWMGGSKTDTVABH-CPCISQLKSA-N 465.426 7.122 50 10 JKGE Cc1nc(Br)c([C@@H](Cl)c2ccc(Br)cc2Br)n1C 2315630078 MCWAAIDQGJHQIN-JTQLQIEISA-N 457.391 5.344 50 10 JKGE Fc1ccc(Cl)c(F)c1[C@H](Br)c1sc(Cl)cc1I 2316597408 RCQVBZCSNFMSOU-VIFPVBQESA-N 483.930 6.422 50 10 JKGE FC1(F)CCC[C@@H]2[C@@H]([C@@H](Br)c3sc(Cl)cc3I)[C@@H]21 2316779025 CSUHIMIDWMMREK-UUOKUNOPSA-N 467.544 6.124 50 10 JKGE C[C@@H]1C[C@H]2C[C@]([C@H](Cl)c3c(Br)sc(Br)c3Br)(C2)O1 2319926241 NSCKYNPKKUYSGI-JCRVUAEBSA-N 479.459 6.273 50 10 JKGE CCCCc1ccc(N2C[C@H](C(O)=C(C#N)c3nc(-c4ccccc4Cl)cs3)CC2=O)cc1 2331267028 YUHDKEQHBZPBBZ-GOSISDBHSA-N 478.017 6.652 50 10 JKGE CCCOc1ccc(-c2csc(C(C#N)=C(O)c3cccc(NC(C)=O)c3)n2)cc1OCCC 2331293477 PQVZWDALLHQEIG-UHFFFAOYSA-N 477.586 6.296 50 10 JKGE CC(C)(C)c1csc(C(C#N)=C(O)c2ccc3c(c2)C(=O)N(CCc2ccccc2)C3=O)n1 2331306062 FXYISNXIIMDHNF-UHFFFAOYSA-N 457.555 5.229 50 10 JKGE Cc1cc(OCCCC(O)=C(C#N)c2nc(-c3ccc4c(c3)OCO4)cs2)cc(C)c1Cl 2331335809 OQVPCTSQIRWZSG-UHFFFAOYSA-N 468.962 6.461 50 10 JKGE N#CC(=C(O)C(=Cc1ccccc1)c1ccccc1)c1nc(-c2cc(Cl)ccc2Cl)cs1 2331404421 BWGCHJQFUBSDBC-UHFFFAOYSA-N 475.400 8.150 50 10 JKGE N#CC(=C(O)c1c(Cl)ccc(Cl)c1Cl)c1nc(-c2cc(Cl)ccc2Cl)cs1 2331405292 CHRITDFAAGNNCD-UHFFFAOYSA-N 476.599 8.027 50 10 JKGE COc1ccc(Cl)cc1-c1csc(C(C#N)=C(O)c2ccc3c(c2)C(=O)N(C(C)C)C3=O)n1 2331410962 XOCWFNYCABKRMN-UHFFFAOYSA-N 479.945 5.426 50 10 JKGE Clc1ccc(CN2[C@H](CBr)C[C@@H]3CCC[C@@H]32)cc1I 2337228490 XOKFMDYETDGCSV-HUBLWGQQSA-N 454.577 5.083 50 10 JKGE FC(F)(F)CC1(CBr)CCN(Cc2sccc2I)CC1 2364107613 UFAXEXZVYSKBOA-UHFFFAOYSA-N 482.147 5.282 50 10 JKGE COc1c(Br)cc(C)c([C@H](Br)[C@@H]2C[C@@]2(C)C(F)F)c1Br 2365194126 OJNUBOSRQXNIHK-LTRYTXMFSA-N 476.981 6.256 50 10 JKGE COc1c(Cl)cc(CO[C@@]2(CBr)CCCN(C(=O)OC(C)(C)C)C2)cc1Cl 2365734244 ZRXVYUMOCVCGCM-LJQANCHMSA-N 483.230 5.683 50 10 JKGE BrCc1cc(Br)cc(Br)c1OCC[C@@H]1CC[C@@H]1C1CC1 2368464227 JYXOEXDYEUGBGR-SMDDNHRTSA-N 467.039 6.312 50 10 JKGE CCc1cccc(CBr)c1OCc1cc(I)ccc1Cl 2380522579 NWKDJZSALKCXBZ-UHFFFAOYSA-N 465.556 5.981 50 10 JKGE N#C/C(=C/c1ccc(OC(=O)C(c2ccccc2)c2ccccc2)cc1)C(=O)NCc1ccco1 1791040 GVXPOURZLBDUFY-MOHJPFBDSA-N 462.505 5.240 50 10 JKGE CCSc1sccc1[C@@H]1C(C#N)=C(N)N(c2ccc(CC)cc2)C2=C1C(=O)CC(C)(C)C2 9982351 KLNYHTWZZSVKOO-JOCHJYFZSA-N 463.672 6.363 50 10 JKGE CC(C)COc1ccc(C(=O)NNC(=O)c2ccccc2OCc2ccccc2)cc1Br 14653132 UICBAZIJMFYGJN-UHFFFAOYSA-N 497.389 5.138 50 10 JKGE CC(C)(C)c1ccc(OCC(=O)NNC(=O)COc2ccc3ccccc3c2)c(C(C)(C)C)c1 14661654 RHALRTHHUCJOEW-UHFFFAOYSA-N 462.590 5.040 50 10 JKGE CCCCCCOc1ccc(/C=C(/C#N)C(=O)Nc2sc3c(c2C(N)=O)CC[C@@H](C)C3)cc1OC 33377869 MRDRWFMXHVBTHY-SQFNAUOLSA-N 495.645 5.485 50 10 JKGE CCOC(=O)c1c(-c2ccc(Cl)cc2)csc1NC(=O)/C(C#N)=C\c1ccccc1OC(C)C 33524127 PYKQMBYMPCUVGQ-UYRXBGFRSA-N 495.000 6.578 50 10 JKGE CCCCOc1ccc(-c2nn(-c3ccccc3)cc2/C=C(/C#N)S(=O)(=O)c2ccc(C)cc2)cc1 33761267 KZWFZBFQULVELV-USHMODERSA-N 497.620 6.365 50 10 JKGE CC(C)COc1ccc(C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@H]3c2ccccc2F)cc1 38652102 VESMGTKULLPILL-VWLOTQADSA-N 458.489 5.298 50 10 JKGE C=CCOc1ccc(C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@@H]3c2ccc(CC)cc2)cc1 38677235 XBWMMDXZJLTOJE-AREMUKBSSA-N 452.510 5.251 50 10 JKGE N#CC1=C(N)Oc2cc(OC(=O)Cc3ccc(Cl)cc3)ccc2[C@H]1c1ccccc1Br 38678943 JGUQMUJCIWCTMG-HSZRJFAPSA-N 495.760 5.469 50 10 JKGE C=CCOc1ccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4ccc(C)cc4)ccc32)cc1OC 38680779 CBUCAMQTAQSKPT-AREMUKBSSA-N 468.509 5.006 50 10 JKGE Cc1cccc(NC(=O)/C(C#N)=C\c2c(Oc3cccc(C)c3C)nc3c(C)cccn3c2=O)c1 39858810 XAAJCIKZKKCRBG-QNGOZBTKSA-N 464.525 5.266 50 10 JKGE Cc1c(C(=O)Nc2ccc(Br)cc2)oc2c1/C(=N/NC(=O)c1cccs1)CCC2 40823735 KZTGVDRLLGIWAZ-BUVRLJJBSA-N 472.364 5.135 50 10 JKGE CCOc1ccc(NC(=O)/C(C#N)=C/c2ccc(-c3ccc(Br)cc3CC)o2)cc1 58833345 UXAGZBIVYLLYKR-SAPNQHFASA-N 465.347 6.216 50 10 JKGE CCOc1ccc([C@H](O)CCC(=O)N/N=C\c2ccc(OCc3cccc(C)c3)c(OCC)c2)cc1 58893248 PMJPGHWDZLAPOG-KAECXJSPSA-N 490.600 5.335 50 10 JKGE Cc1ccc(NC(=O)/C(C#N)=C\c2cc(Cl)c(OCc3ccccc3Cl)c(Cl)c2)cc1 59335261 JPGMXSMLTUVMKT-ZDLGFXPLSA-N 471.771 7.080 50 10 JKGE CC[C@H](CBr)COc1c(I)cc(Cl)c2cccnc12 96869920 GZQKYGRJUFFYLS-SECBINFHSA-N 454.533 5.293 50 10 JKGE Cl[C@H](c1ccc(I)cc1)c1cc(Br)ccc1Br 104029644 UYIMIFLXCVUVBY-CYBMUJFWSA-N 486.372 6.144 50 10 JKGE Cc1ccc([C@@H](Br)c2cc3[nH]c(=O)[nH]c3cc2Br)c(Br)c1 161442324 PJVYVEHVTHKJPB-CQSZACIVSA-N 474.978 5.174 50 10 JKGE COc1cc(C)c(Br)cc1[C@@H](Br)c1ccc(C)cc1Br 161445935 MUNPNFNCKWREJE-INIZCTEOSA-N 463.007 6.321 50 10 JKGE COc1cc(Cl)c([C@H](Br)c2c(F)cc(Br)cc2F)cc1Cl 164539479 IEHTYNDZPARMON-AWEZNQCLSA-N 460.927 6.527 50 10 JKGE CCOC(=O)c1c(NC(=O)/C(C#N)=C\c2ccc(OC)c(OC(C)C)c2)sc2c1CC[C@H](CC)C2 209406739 IQAYFTLZBUUCSV-LSPINASFSA-N 496.629 5.781 50 10 JKGE N#C/C(=C/N1CCC(Cc2ccccc2)CC1)C(=O)Nc1ccccc1Sc1ccccc1 217243386 PAKVOXBBMWHZLW-FLFQWRMESA-N 453.611 6.138 50 10 JKGE N#C/C(=C/Nc1ccc(Cl)cc1C(F)(F)F)C(=O)NC1CCCCCCCCCCC1 217260083 SKINPEZXMYTBPH-MSUUIHNZSA-N 455.952 6.968 50 10 JKGE COc1ccc([C@@H](Br)c2ccc(I)cc2)c(OC)c1Cl 224656501 BYMCLKCZTPWTNC-ZDUSSCGKSA-N 467.528 5.446 50 10 JKGE O=[N+]([O-])c1cc(Br)ccc1Oc1ccc(CBr)cc1Br 232486936 QZUAKPRXVJGWFX-UHFFFAOYSA-N 465.923 5.807 50 10 JKGE Cc1cc(C)c(C)c([C@H](Br)c2ccc(Br)cc2Br)c1C 235823447 HSTKZEUMHDEAFR-QGZVFWFLSA-N 461.035 6.930 50 10 JKGE Cc1cc([C@H](Br)c2cc(Cl)ccc2Br)sc1Br 235858761 XXQOWYBMFTUGOR-LLVKDONJSA-N 459.428 6.719 50 10 JKGE CCOc1cc(C=NNC(=O)c2cc3c(ccc4ccccc43)o2)ccc1OCc1ccccc1F 252607321 HAJBHRNNOZQKST-UHFFFAOYSA-N 482.511 6.467 50 10 JKGE CCCCOc1ccc(C=NNC(=O)c2cc(-c3ccc([C@H](C)CC)cc3)nc3ccccc23)cc1 252623442 ORKMMMAVHJFRRW-JOCHJYFZSA-N 479.624 7.358 50 10 JKGE O=C(NN=Cc1ccc(OC(=O)c2cccc3ccccc23)cc1)C(=O)Nc1cccc2ccccc12 254492022 AOLINBCJWXXBSK-UHFFFAOYSA-N 487.515 5.301 50 10 JKGE CCOc1cc(C=NNC(=O)CSc2cccc3ccccc23)ccc1OCc1ccccc1C#N 254570597 IRJKSSOHXSPVFV-UHFFFAOYSA-N 495.604 5.932 50 10 JKGE CCc1cc(=NNC(=O)Nc2cccc(C(F)(F)F)c2)oc2cc3c(cc12)CCC1(CCCCC1)O3 254820272 VQWFQZJOVKPGLB-UHFFFAOYSA-N 499.533 6.679 50 10 JKGE COC(=O)[C@]1(C)CC[C@]2(C)CC[C@]3(C)C4=CC=C5C(=O)OC(=O)C=C5[C@]4(C)CC[C@@]3(C)[C@H]2C1 257375591 AFYNUVCDKLFCAU-WMOTUAAJSA-N 452.591 5.455 50 10 JKGE O=C(NN=Cc1c2ccccc2cc2ccccc12)C(=O)Nc1ccccc1C(=O)Nc1ccccc1 263625857 MMQYOKSLVQGVFM-UHFFFAOYSA-N 486.531 5.334 50 10 JKGE Cc1cc(C)c([C@@H](Cl)c2cc(Br)c(Br)s2)c(C)c1Br 302315634 GJKNGQZADFFQCB-ZDUSSCGKSA-N 487.482 7.289 50 10 JKGE COc1cc(Br)c(Oc2cc(CCl)c(Br)cn2)cc1Br 313465011 FBGXQDGGYXPZDF-UHFFFAOYSA-N 486.385 5.909 50 10 JKGE ClCc1nc2cncc(Cl)c2n1-c1cc(I)ccc1Br 380081638 AXTWIQMFLAAHHO-UHFFFAOYSA-N 482.934 5.180 50 10 JKGE ClCCc1nc2c(Cl)cccc2n1CCCN(Cc1ccccc1)Cc1ccccc1 390520129 GHNJCULKVGCLHA-UHFFFAOYSA-N 452.429 6.564 50 10 JKGE O=C(NC1(CCBr)CCSCC1)c1scc(Br)c1Br 719644241 BEMZWEAPZOPDHL-UHFFFAOYSA-N 492.096 5.054 50 10 JKGE Clc1ccccc1C(CBr)(CBr)Cc1sncc1Br 719879356 NXSZAJQWBYQSDC-UHFFFAOYSA-N 488.470 5.829 50 10 JKGE BrCc1cc(Br)cc(Br)c1OC[C@@H]1C[C@H]2CCC[C@H]2O1 720798458 YBDIXEOULGFSKM-LJWDBELGSA-N 469.011 5.443 50 10 JKGE O=C(Nc1cccc(Cl)c1)[C@H](c1cccs1)N(C(=O)CCl)c1cccc(C(F)(F)F)c1 725238253 RCGCKWUITYXLKC-IBGZPJMESA-N 487.330 6.372 50 10 JKGE O=C(OCC1c2ccccc2-c2ccccc21)N1CCOc2cc(CBr)ccc2C1 725260034 LZDQBDACGFYYKS-UHFFFAOYSA-N 464.359 5.725 50 10 JKGE Cc1ccc(NC(=O)c2c(-n3c(C)cc(/C=C(/C#N)c4ccccc4)c3C)sc3c2CCCC3)cc1 1084555715 CTUWOGREQAVZRT-BWAHOGKJSA-N 491.660 7.659 50 10 JKGE CC1(C)[C@H](/C=C(\Cl)C(F)(F)F)[C@@H]1C(=O)OC(=O)[C@H]1[C@@H](/C=C(\Cl)C(F)(F)F)C1(C)C 1848440313 ZECUHEDDUFLFSO-MENQIRRFSA-N 467.233 5.971 50 10 JKGE N#CC1=C(N)Oc2c(c(-c3ccccc3)nn2Cc2cccc(F)c2)[C@@H]1c1ccccc1Cl 1865685189 GTPMMCNBDXRRDJ-JOCHJYFZSA-N 456.908 5.609 50 10 JKGE CCCc1nn(Cc2cccc(Cl)c2)c2c1[C@H](c1c(Cl)cccc1Cl)C(C#N)=C(N)O2 1865686348 UBPCGABSHRBNHQ-IBGZPJMESA-N 473.791 6.062 50 10 JKGE CCCc1nn(-c2ccc(Cl)c(Cl)c2)c2c1[C@H](c1cc(C)ccc1O)C(C#N)=C(N)O2 1865687421 QUJJIFWBBADBIC-HXUWFJFHSA-N 455.345 5.364 50 10 JKGE CCOc1ccc([C@@H]2C(C#N)=C(N)Oc3c2c(-c2ccccc2)nn3-c2ccccc2)cc1OCC 1865689564 SQOYCPPWMYTDBP-RUZDIDTESA-N 478.552 5.555 50 10 JKGE CCCCCOc1ccc([C@@H]2C(C#N)=C(N)Oc3c2c(C)nn3-c2ccccc2Cl)cc1OCC 1865690850 CPOSUENKIABHOT-RUZDIDTESA-N 493.007 6.020 50 10 JKGE CCCOc1cccc([C@@H]2C(C#N)=C(N)Oc3c2c(C(F)(F)F)nn3-c2ccccc2Cl)c1 1865694596 XPSPFEQOGJPXQK-GOSISDBHSA-N 474.870 5.551 50 10 JKGE CCCc1nn(Cc2cccc(F)c2)c2c1[C@@H](c1cc(Br)ccc1F)C(C#N)=C(N)O2 1865702200 PFWQAVYAYGWDCM-FQEVSTJZSA-N 485.332 5.143 50 10 JKGE CCN(Cc1ccccc1)c1ccc([C@@H]2C(C#N)=C(N)Oc3c2c(C)nn3Cc2ccccc2)cc1 1865706616 AUDYCCQJYBGOGZ-MUUNZHRXSA-N 475.596 5.485 50 10 JKGE COc1ccc(-c2nn(Cc3ccccc3F)c3c2[C@H](c2ccccc2C)C(C#N)=C(N)O3)cc1 1865712985 NPKKZTGPSFJYSE-XMMPIXPASA-N 466.516 5.273 50 10 JKGE CC(C)C[C@H](NC(=O)/C(C#N)=C/c1cccc(Br)c1)C(=O)Nc1ccc2ccccc2c1 1866130578 BORYRKJLSKBLPF-GXPYYPFNSA-N 490.401 5.679 50 10 JKGE COCCc1nc(Nc2ccc(SC#N)cc2)cc(N2CCc3cc(OC)ccc3[C@@H]2C)n1 1868253084 BVJJHXPVKGADKN-KRWDZBQOSA-N 461.591 5.115 50 10 JKGE CC[C@@H](C)[C@H](/C(O)=C(\C#N)c1nc(-c2ccc(C(C)C)cc2)cs1)N1C(=O)c2ccccc2C1=O 1872751920 HKXUIWHATIJYPK-SBIXNHRYSA-N 485.609 6.437 50 10 JKGE CCc1cccc(CC)c1N1C[C@H](/C(O)=C(\C#N)c2nc(-c3ccc(F)cc3)cs2)CC1=O 1872753226 NCVWSOFPYMGCIJ-FPOCJBQTSA-N 461.562 5.920 50 10 JKGE COc1ccc(-c2csc(/C(C#N)=C(\O)COc3ccc(C)cc3C(C)(C)C)n2)c(C)c1C 1872753774 MGFADPRVMHUAPF-ATJXCDBQSA-N 462.615 6.913 50 10 JKGE COc1ccc(-c2csc(/C(C#N)=C(O)/C=C/c3cccc([N+](=O)[O-])c3)n2)c2ccccc12 1872758955 YKQPUERDGABVEZ-GAZMVHPRSA-N 455.495 6.386 50 10 JKGE COc1c(Cl)cc(-c2csc(/C(C#N)=C/c3c(Cl)cccc3Cl)n2)cc1Cl 1872794454 CFRKXPPEPPSVGK-VZUCSPMQSA-N 456.181 7.496 50 10 JKGE COc1ccccc1OCC(=O)N/N=C/c1cccc(OCc2ccc(Cl)cc2Cl)c1 1873497144 LCILENDVADJKRG-LGJNPRDNSA-N 459.329 5.110 50 10 JKGE Cc1ccc(COc2ccc(/C=N/NC(=O)COc3ccc(C(=O)NC4CCCCC4)cc3)cc2)cc1 1873497521 VJBUVWDEMQJFQJ-ZCTHSVRISA-N 499.611 5.166 50 10 JKGE COc1cc(/C=N/NC(=O)c2ccc3[nH]c4c(c3c2)CCCC4)ccc1OCc1ccccc1Cl 1873498419 LAWYPBCYNCCURW-OKCVXOCRSA-N 487.987 6.052 50 10 JKGE BrCc1cc(Br)cc(Br)c1OC[C@]12C[C@H](CCO1)C2 1879266476 GPNHNCWHQOKZEJ-DEZZCRIOSA-N 454.984 5.054 50 10 JKGE O=C(N[C@@H](CBr)[C@H]1CC=CCC1)c1cc(Br)c(Br)s1 1885073709 UYGHITRWCCOZIX-WPRPVWTQSA-N 472.040 5.123 50 10 JKGE CC(C)[C@@H](CBr)N(CCOc1ccc(Br)cc1)Cc1ccccc1 1915268728 LXIPMHMDCJLXIU-HXUWFJFHSA-N 455.234 5.750 50 10 JKGE COc1ccc(Br)c(C(=O)N(Cc2ccccc2)[C@@H](CBr)C(C)C)c1 1915321599 GJDUYAYXKANNND-IBGZPJMESA-N 469.217 5.520 50 10 JKGE CC1(C)C[C@H]([C@@H](Br)c2sc(Br)cc2Br)C(C)(C)O1 1922881516 IUEKMFHROKZVAU-GMSGAONNSA-N 461.057 6.303 50 10 JKGE Cc1c(Br)sc([C@H](Br)c2cc(F)ccc2Cl)c1Br 1922954486 OTPCSIPDJIJBHM-SNVBAGLBSA-N 477.418 6.858 50 10 JKGE Cc1c(Br)sc([C@@H](Br)c2c(F)cccc2F)c1Br 1922954842 SPUUVXDMNQAUAD-JTQLQIEISA-N 460.963 6.344 50 10 JKGE Clc1ccc(C[C@H](Cl)c2c(Br)sc(Br)c2Cl)cc1Cl 1923066797 VGMBDWVUBIDLEN-QMMMGPOBSA-N 483.867 7.756 50 10 JKGE Cl[C@H](c1c(Br)sc(Br)c1Br)[C@@H]1C[C@H]1c1ccccc1 1924596998 WIKPETJGOIAHDQ-SBMIAAHKSA-N 485.466 7.119 50 10 JKGE CC1CC(C)([C@H](Br)c2c(Br)sc(Br)c2Br)C1 1924615426 ASYZTERTZRHSRO-GBZMYTLWSA-N 495.900 6.908 50 10 JKGE CC(C)C(C)(C)[C@@H](Cl)c1c(Br)sc(Br)c1Br 1924615698 FHHLFLQHVBERIW-QMMMGPOBSA-N 453.465 6.998 50 10 JKGE O=C(NC[C@@H]1CCC2(CCC2)[C@H]1Br)c1scc(Br)c1Br 1924858333 XUBQXZZCESUJNX-UFBFGSQYSA-N 486.067 5.347 50 10 JKGE CCn1cc([C@@H](Cl)c2c(Cl)sc(Br)c2Cl)nc1Br 1925617371 HWWXRYCGHXAXOE-ZCFIWIBFSA-N 453.414 6.125 50 10 JKGE Clc1sccc1[C@H](Br)c1c(Br)sc(Br)c1Cl 1983219672 QDIILPQTBPMXAB-YFKPBYRVSA-N 485.875 7.126 50 10 JKGE Cc1nn(-c2c(CCl)ccc(Br)c2Cl)c(C)c1I 2036848415 LVCDLYBZCHCYOX-UHFFFAOYSA-N 459.940 5.248 50 10 JKGE CC(C)[C@H](C)N(Cc1ccccc1)S(=O)(=O)c1cc(CBr)ccc1Br 2059315386 ZICMNVHZQNMJKG-HNNXBMFYSA-N 489.273 5.579 50 10 JKGE Cl[C@@H](c1c(Br)sc(Br)c1Br)C1C[C@@H]2CC[C@H](C1)O2 2060982730 LOHKSIXKDNFZEA-YNVXMBFESA-N 479.459 6.273 50 10 JKGE CC(C)(C)OC(=O)NCCSSCCN[C@H]1CN(C(=O)OC(C)(C)C)C2(CCCCC2)C1 2061261605 BCLWRAIGKFMMGN-GOSISDBHSA-N 489.748 5.194 50 10 JKGE CCc1sc(Br)cc1[C@@H](Br)c1c(Br)nn(C)c1C 2067855032 MQEOGZHQEATVEO-LLVKDONJSA-N 457.029 5.362 50 10 JKGE Clc1c(Br)cccc1C[C@@H](Br)c1ccc(Br)cc1 2081411795 KCDOYUBJVCMXFN-CYBMUJFWSA-N 453.399 6.544 50 10 JKGE Fc1cc(Br)c([C@@H](Br)c2cscc2Br)c(F)c1Cl 2081837541 BMGGAUDZVYKHQX-VIFPVBQESA-N 481.381 6.689 50 10 JKGE Cc1cccc(Br)c1[C@H](Br)c1ccc(Br)cc1Br 2083335979 WEAFEUDKWTURLQ-CQSZACIVSA-N 497.850 6.767 50 10 JKGE Fc1cc(Cl)c(Br)cc1[C@@H](Br)Cc1cccc(Br)c1 2097833553 DGCUUNUJBUFHEK-NSHDSACASA-N 471.389 6.683 50 10 JKGE Cc1c(Br)sc([C@H](Br)C2(C)CCCCCCC2)c1Br 2116024369 YUQNENLMUXVGAM-ZDUSSCGKSA-N 473.112 7.768 50 10 JKGE Brc1ccc(Br)c(CN2CC[C@]3(CCC[C@@H]3Br)C2)c1 2118526349 DXDNAGTWLFDIHQ-LSDHHAIUSA-N 452.028 5.351 50 10 JKGE COc1cc(F)c(Cl)cc1[C@@H](Br)c1cc(Br)c(Br)s1 2142389974 ZIFOYGVPYXUSAG-LLVKDONJSA-N 493.417 6.559 50 10 JKGE CN(Cc1c(Br)cccc1Br)C[C@@H](Br)C1CCCCC1 2167654515 XZUZRAFLLKSJKG-MRXNPFEDSA-N 468.071 5.987 50 10 JKGE FC(F)(F)CC1([C@@H](Br)c2cc(I)cc3c2OCC3)CC1 2176725116 VKFYNXQUOFKURJ-LBPRGKRZSA-N 461.059 5.395 50 10 JKGE FC1(F)CCC([C@@H](Br)c2cc(I)cc3c2OCC3)CC1 2177597103 YNNZZHDJJJDXMT-CYBMUJFWSA-N 457.096 5.488 50 10 JKGE CO[C@@H]1C[C@@H](Cl)C[C@H]1c1sc(Br)c(Br)c1Br 2212199254 AOKGWIFLHDFHLF-KVQBGUIXSA-N 453.421 5.535 50 10 JKGE CC1(C)OC[C@H](c2sc(Br)c(Br)c2Br)[C@@H]1Br 2212201230 VAJRLPFLXSZMAJ-VHWMUFPASA-N 497.872 5.692 50 10 JKGE Cc1sc(Br)c(C)c1[C@@H](Cl)c1ccc(Br)cc1Br 2218804964 GFFHGXSNNWPGNX-LBPRGKRZSA-N 473.455 6.981 50 10 JKGE Cc1cc(Br)c([C@H](Br)[C@@H](C)c2ccncc2Br)s1 2221822972 FNXAQWBJHDPGGW-QPUJVOFHSA-N 454.025 6.216 50 10 JKGE CCOc1ccc(Br)cc1[C@@H](Br)c1sc(C)cc1Br 2229325925 PBDKWADPSIYPHC-CYBMUJFWSA-N 469.036 6.465 50 10 JKGE Cc1cc(Br)c([C@@H](Br)c2c(C)oc(C)c2C)c(C)c1Br 2235605436 RSGKFQGGKWTNJZ-INIZCTEOSA-N 465.023 6.831 50 10 JKGE Fc1cc(F)c([C@@H](Cl)Cc2ccccc2I)c(F)c1Br 2236117371 KLGKPUAQOJICIA-QMMMGPOBSA-N 475.473 5.994 50 10 JKGE Cc1cc(Br)c([C@H](Br)c2ccc(C)c(F)c2F)cc1Br 2239629382 UDIZQEAFPOXTOL-CYBMUJFWSA-N 468.961 6.591 50 10 JKGE CC1CC(CC[C@@H](Cl)c2c(Br)sc(Br)c2Br)C1 2251773890 XVPAOMHJZGJUAJ-KAVNDROISA-N 465.476 7.142 50 10 JKGE Fc1cccc([C@H](Br)c2ccc(C3CCC3)s2)c1I 2271973886 ORWCPAYZGYBZEK-AWEZNQCLSA-N 451.142 6.244 50 10 JKGE CC[C@@]1([C@H](Br)c2c(F)cc(Br)c(F)c2Br)CC1(F)F 2272843961 UNTHJELOMQQXNY-MNOVXSKESA-N 468.908 6.361 50 10 JKGE FC(F)(F)c1ccc([C@@H](Br)c2ccc(Br)cc2Br)s1 2277705869 GGSMXFZDUMULMD-NSHDSACASA-N 478.953 6.776 50 10 JKGE Fc1cccc([C@@H](Cl)c2cc3sc(Br)cc3s2)c1I 2278029809 OJQIDPUBJHWHSN-GFCCVEGCSA-N 487.584 6.797 50 10 JKGE COc1ccc([C@@H](Br)C2CC(OC(C)(C)C)C2)cc1I 2284999722 RINQXODOGOGKIP-KOHJWAIASA-N 453.158 5.330 50 10 JKGE Fc1cc(Br)c(F)c(Br)c1[C@H](Br)C1CC2(CCCO2)C1 2288481110 QPXNMGDIEVNKBT-MIJJTYSQSA-N 474.965 5.885 50 10 JKGE CC(C)Cc1ccc(-c2cc(C(=O)NN=CC(Br)=Cc3ccccc3)n[nH]2)cc1 2293707271 WZECFPMLJXRUIW-UHFFFAOYSA-N 451.368 5.427 50 10 JKGE O=C(CSc1nnc(SCc2ccccc2Cl)s1)NN=CC=Cc1ccccc1 2293744141 GMBRSDVAKURFPH-UHFFFAOYSA-N 461.037 5.391 50 10 JKGE FC(F)(F)c1ccc([C@H](Br)Cc2cc(Br)cc(Br)c2)o1 2295330766 ZPFKQPRJIITKHE-SNVBAGLBSA-N 476.912 6.502 50 10 JKGE Cc1cc(C)c(NC(=O)C(C#N)=Cc2ccc(OC(=O)c3cccc4ccccc34)cc2)c(C)c1 2295459724 RSSXEUWZHATQJY-UHFFFAOYSA-N 460.533 6.530 50 10 JKGE Cc1ccc(NC=C(C#N)c2nc(-c3cc4cc(Br)ccc4oc3=O)cs2)cc1Cl 2296800519 CEGIKCRIYKXHCF-UHFFFAOYSA-N 498.789 6.617 50 10 JKGE Cc1nn(-c2ccccc2)c(N2CCCC2)c1C=C(C#N)C(=O)Nc1cc(Cl)cc(Cl)c1 2297388103 QTEYQNILSRKUQH-UHFFFAOYSA-N 466.372 5.633 50 10 JKGE Cc1c(C=C(C#N)C(=O)NCc2ccccc2)c2ccccc2n1Cc1ccc(Cl)cc1Cl 2297498699 GZJXJQRLFRMSRS-UHFFFAOYSA-N 474.391 6.528 50 10 JKGE CCOc1cc(C=C(C#N)C(=O)Nc2ccc(O)cc2)ccc1OCc1ccc(Cl)c(Cl)c1 2297506274 QOSIMUJGVXVDRI-UHFFFAOYSA-N 483.351 6.222 50 10 JKGE CC1(C)[C@@H]([C@H](Br)c2ccc(OCc3ccccc3)cc2Br)C1(F)F 2299508882 LLDVCWYUWZTWDU-IAGOWNOFSA-N 460.156 6.755 50 10 JKGE CC[C@](C)(C(F)F)[C@H](Br)c1sc(Br)c(C)c1Br 2299839342 USLUUTHTVXCPDK-KCJUWKMLSA-N 455.000 6.699 50 10 JKGE FC(F)(F)COCC[C@@H](Br)c1sc(Cl)cc1I 2301083967 NLZGEHFDVJISTQ-RXMQYKEDSA-N 463.484 5.411 50 10 JKGE CC(C)n1ncc(Br)c1CN(Cc1ccccc1)C1(CBr)CCC1 2303060645 RUUBMTHEXITGEU-UHFFFAOYSA-N 455.238 5.546 50 10 JKGE Cc1cc(C=C(C#N)C(=O)Nc2cccc(Cl)c2Cl)c(C)n1-c1cccc([N+](=O)[O-])c1 2313571129 NWVGWSBCUKJEIM-UHFFFAOYSA-N 455.301 5.855 50 10 JKGE Cc1c(C=C(C#N)C(=O)Nc2cccc(Cl)c2Cl)c2ccccc2n1Cc1ccccc1C#N 2313571439 WJYVREGKCCGOLA-UHFFFAOYSA-N 485.374 6.722 50 10 JKGE COc1ccccc1[C@H](Br)c1ccc(OCc2ccccc2)cc1Br 2314448161 FLXNULWWKJIQII-OAQYLSRUSA-N 462.181 6.521 50 10 JKGE CC1=C(C#N)C(=O)N(Cc2cccnc2)C(=O)C1=Cc1ccc(-c2ccc(Cl)cc2Cl)o1 2314618892 WGJVGVWDOBXNIO-UHFFFAOYSA-N 464.308 5.441 50 10 JKGE N#CC1=C(N)Oc2cc(OC(=O)C=Cc3ccc(Cl)cc3)ccc2[C@H]1c1cccc([N+](=O)[O-])c1 2314634084 KQLCFUSVEPJABE-XMMPIXPASA-N 473.872 5.085 50 10 JKGE CCOC(=O)C(C#N)=Cc1cccc(OC(=O)C=Cc2ccc(OCc3ccccc3)c(OC)c2)c1 2314754280 OLRYCKIIOAAAFM-UHFFFAOYSA-N 483.520 5.363 50 10 JKGE COCc1ccc([C@H](Br)c2cc(Br)ccc2Br)s1 2315097274 JHJIDXOAMRWBDW-CYBMUJFWSA-N 455.009 5.904 50 10 JKGE Cc1ccc([C@@H](Br)c2c(Cl)cc(Br)c(F)c2Br)s1 2315458380 LZHGRVKUVAQNNH-SNVBAGLBSA-N 477.418 6.858 50 10 JKGE N#CC(=CNc1cc(C(F)(F)F)cc(C(F)(F)F)c1)C(=O)Nc1cccc2c(O)cccc12 2318468344 MOJKCRNHJZSOLD-UHFFFAOYSA-N 465.353 6.041 50 10 JKGE COc1ccc([C@@H](C)NC(=O)C(C#N)=CNc2ccc(-c3nc4ccc(C)cc4s3)cc2)cc1 2325068187 JTZKYPVHTDOSHN-GOSISDBHSA-N 468.582 5.977 50 10 JKGE C[C@@]1(CBr)CCCN(Cc2ccc(I)c(Br)c2)C1 2325221844 IPOIIMIPFVSQCE-AWEZNQCLSA-N 487.017 5.051 50 10 JKGE CC(C)(C)OC(=O)N[C@@H](Cc1ccccc1)C(=O)NN=Cc1ccc(-c2ccccc2Cl)o1 2328796788 LVIWLHDBTNNERJ-NRFANRHFSA-N 467.953 5.186 50 10 JKGE COc1cc(C=CC(O)=C(C#N)c2nc(-c3cccc(Cl)c3)cs2)cc(OC)c1OC 2331294003 DEBRKEICKSTLCF-UHFFFAOYSA-N 454.935 5.995 50 10 JKGE COc1ccc(Cl)cc1N1C[C@@H](C(O)=C(C#N)c2nc(-c3ccc(C)cc3)cs2)CC1=O 2331312272 BAISHELTNDKWEX-INIZCTEOSA-N 465.962 5.626 50 10 JKGE CCCCCOc1ccc(C=C(C#N)c2nc(-c3ccc(-c4ccccc4)cc3)cs2)cc1 2331414187 MVXPPNMBKNQWGP-UHFFFAOYSA-N 450.607 8.110 50 10 JKGE COc1cc(OC)c(-c2csc(C(C#N)=Cc3c(Cl)cccc3Cl)n2)cc1Cl 2331471799 HTAXRRNIUMBXMW-UHFFFAOYSA-N 451.762 6.852 50 10 JKGE Brc1ccc([C@@H](Br)[C@@H]2OC[C@@H]3CCCC[C@@H]32)c(Br)c1 2333520661 ORCWEZCWEUEOHX-YZENIEGJSA-N 453.012 5.853 50 10 JKGE Fc1cc(Br)c(F)c(Br)c1[C@@H](Br)C[C@H]1CC[C@@H]2C[C@H]12 2334720095 QASPEBGGAFACDA-HXFLIBJXSA-N 458.966 6.362 50 10 JKGE CC[C@@H]1CC[C@@H]([C@H](Br)c2c(Cl)cc(Br)c(F)c2Br)O1 2337086739 PMCDBGJCZNPTNA-PUMQYWBSSA-N 479.409 6.398 50 10 JKGE Cc1cccc([C@H](Br)c2c(Cl)cc(Br)c(F)c2Br)c1 2337092411 QAEZTYQNCVSLMX-LBPRGKRZSA-N 471.389 6.797 50 10 JKGE Cc1nc(Br)c([C@@H](Br)c2cc(C3CC3)c(Br)s2)n1C 2337281852 VSOSPCHGSWIORM-JTQLQIEISA-N 469.040 5.677 50 10 JKGE CC[C@H]([C@@H](Br)c1c(C)cc(Br)c(F)c1Br)C(C)(F)F 2339656429 NSPQYLCZALNCIO-GMSGAONNSA-N 466.961 6.777 50 10 JKGE Clc1ccc(COC2(CBr)CCCCCC2)c(I)c1 2340118762 AKGJDAYSTQWCSY-UHFFFAOYSA-N 457.577 5.949 50 10 JKGE CCC[C@@H]1CN(Cc2ccc(Cl)cc2I)C[C@@H]1CBr 2341012636 QMNFVDPAMIRDFH-YPMHNXCESA-N 456.593 5.188 50 10 JKGE C[C@H]1CCC[C@@](CBr)(Cc2cc(I)ccc2Cl)CC1 2352349078 ZAHIZGVGQXUWKM-LRDDRELGSA-N 455.605 6.469 50 10 JKGE Fc1c(Br)cc(Cl)c([C@H](Cl)C2CC3(C2)CC3(F)F)c1Br 2362230225 YGTCLCHYBPAHCX-LEENJYTBSA-N 452.923 6.719 50 10 JKGE Fc1c(Br)cc(Cl)c([C@H](Cl)[C@H]2C(F)(F)C23CCC3)c1Br 2362238277 VGZCCZBPBKYYHB-GXSJLCMTSA-N 452.923 6.719 50 10 JKGE COc1ccc(C[C@@H](Br)c2cc(Br)c(OC)s2)c(Br)c1 2364260656 IPDZIXKHMABBPW-LLVKDONJSA-N 485.035 5.969 50 10 JKGE N#C/C(=C/c1cccc(OCc2ccccc2)c1)C(=O)Nc1ccc(Br)cc1F 867561 TTWHJVNQGDPZMK-WQRHYEAKSA-N 451.295 5.713 50 10 JKGE Cc1cc(C)c([C@@H]2[C@@H]3CCCC=C3C(C#N)=C(N)C2(C#N)C#N)cc1COc1ccccc1Cl 2727634 YCWAWUFENNXTOP-RLWLMLJZSA-N 468.988 6.129 50 10 JKGE CCOC(=O)/C(C#N)=C\c1cn(-c2ccccc2)nc1-c1ccc(-c2ccc([N+](=O)[O-])cc2)o1 6480626 XQNUURPWTPVALH-JXAWBTAJSA-N 454.442 5.178 50 10 JKGE CC[C@H](Oc1ccccc1[C@@H](C)CC)C(=O)NNC(=O)CCCOc1ccc(Cl)cc1Cl 10683337 ZMYMODRCPJGJBZ-JXFKEZNVSA-N 481.420 5.671 50 10 JKGE N#C/C(C(=O)NCc1ccccc1)=C1\S[C@H](Cc2ccccc2Cl)C(=O)N1c1ccccc1 33928385 KMJGMIXMDRBGIR-QPSWJSTDSA-N 473.985 5.083 50 10 JKGE COc1cc(/C=C(/C#N)c2nnc3n2CCCCC3)ccc1OC(=O)COc1cccc2ccccc12 35239607 IIVKUZVXTRRQFI-JWGURIENSA-N 494.551 5.215 50 10 JKGE CCOc1cc(CBr)cc(Br)c1OCc1ccc(Br)cc1 36825230 TYJMBVVQYHAHNY-UHFFFAOYSA-N 479.006 6.084 50 10 JKGE N#CC1=C(N)Oc2cc(OC(=O)c3ccccc3Br)ccc2[C@H]1c1ccccc1F 38651881 RMESFANRVOONHJ-OAQYLSRUSA-N 465.278 5.026 50 10 JKGE CCCCCOc1ccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4cccs4)ccc32)cc1OC 38660275 PMPBMUGBYKGDOU-VWLOTQADSA-N 490.581 5.763 50 10 JKGE CCc1ccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)COc4ccccc4Cl)ccc32)cc1 38677158 GMMZJYZSTRJBRS-RUZDIDTESA-N 460.917 5.105 50 10 JKGE CCCCCOc1ccccc1[C@@H]1C(C#N)=C(N)Oc2cc(OC(=O)COc3cccc(C)c3)ccc21 38686102 BAFMMGYHYPLLFZ-LJAQVGFWSA-N 498.579 5.767 50 10 JKGE Cc1c(C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@H]3c2ccccc2Cl)oc2ccccc12 38687608 DMEPKNGBNXVYKA-QHCPKHFHSA-N 456.885 5.832 50 10 JKGE Cc1ccc(NC(=O)c2oc3c(c2C)/C(=N/NC(=O)c2ccc(F)cc2)CCC3)c(Br)c1 40811964 NIDIMHNIGLALGH-TURZUDJPSA-N 498.352 5.521 50 10 JKGE CCCCCCOc1ccc(/C=C(\C#N)C(=O)Nc2nc(-c3ccccc3)cs2)cc1OC 40846603 GXWFIWRDYZXVSW-RCCKNPSSSA-N 461.587 6.323 50 10 JKGE Cc1ccc(-c2ccccc2)n1-c1ccc(C(=O)N/N=C/c2ccc(Sc3ccccc3)o2)cc1 59304051 QGZSOQNGIMLGGJ-TWKHWXDSSA-N 477.589 6.961 50 10 JKGE Cc1ccc(OCCOc2c(Cl)cc(Cl)cc2/C=C(/C#N)C(=O)NCc2ccccc2)c(C)c1 96502015 JPGXUEPGEFZLBB-XKZIYDEJSA-N 495.406 6.291 50 10 JKGE COc1cc(/C=C(/C#N)c2cccc(Cl)c2)c(Br)cc1OCc1ccc(F)cc1 96591858 OIZQGODFDNZCPF-NVMNQCDNSA-N 472.741 6.893 50 10 JKGE N#C/C(=C(/O)c1ccc(-c2ccc(Cl)cc2Cl)o1)c1nc(-c2ccc3ccccc3c2)cs1 100989873 UZAUEQTVSXCWMJ-QQTULTPQSA-N 489.383 8.480 50 10 JKGE CCOc1cc(Br)c([C@@H](Cl)c2ccc(Br)s2)cc1OCC 109821215 PCYPYXSLOXEOER-OAHLLOKOSA-N 454.611 6.399 50 10 JKGE FC(F)(F)c1ccc(C[C@H](Br)c2cc(Br)c(Br)s2)cc1 128295457 WHDOEQMMEWJOHK-VIFPVBQESA-N 492.980 6.971 50 10 JKGE Fc1ccc(Br)c(CC(CBr)(CBr)C2CCCC2)c1 128720618 HAKKLZQIBBJIPF-UHFFFAOYSA-N 457.019 6.097 50 10 JKGE Cc1cc(Br)c([C@@H](Br)c2ccccc2OC(F)F)cc1Br 128741330 BRAGZZSSKUCJPX-AWEZNQCLSA-N 484.960 6.606 50 10 JKGE Cc1cc(Br)c([C@H](Br)C2CCCCCCC2)cc1Br 128782557 SGDJMYZQVFNZSH-MRXNPFEDSA-N 453.056 7.317 50 10 JKGE Clc1cc([C@H](Br)c2cc(Br)ccc2Br)c(Cl)s1 161091742 BCDQUNSOQFFVHG-SNVBAGLBSA-N 479.846 7.064 50 10 JKGE COc1ccc([C@H](Cl)c2cc(Br)ccc2Br)c(OC)c1Br 161125627 MLXZHXGAUVDQAN-AWEZNQCLSA-N 499.424 6.320 50 10 JKGE Cc1ccc(Br)c([C@H](Cl)c2cc(Br)sc2Br)c1 161279646 UPGZZARHXFEVQV-NSHDSACASA-N 459.428 6.672 50 10 JKGE Cc1sc(-c2ccccc2)nc1C(=O)N/N=C\c1ccc(OCCCc2ccccc2)cc1 169927193 XLOXVIIMIVGBBL-USHMODERSA-N 455.583 5.894 50 10 JKGE C[C@@H](NC(=O)/C(C#N)=C\c1cn(-c2ccccc2)nc1-c1ccc2c(c1)OCO2)c1ccccc1 210034394 MDMOGXZRDQPFJT-HBEGMLAUSA-N 462.509 5.052 50 10 JKGE COc1ccc([C@H](C)NC(=O)/C(C#N)=C\Nc2ccccc2Sc2ccccc2)cc1OC 217171977 QXMQPHDUZBAVCK-CIJMEZBMSA-N 459.571 5.552 50 10 JKGE COc1ccc([C@@H](Br)c2cccc(Br)c2Cl)c(Br)c1 228452927 GBXXAXMHBGYRON-CYBMUJFWSA-N 469.398 6.358 50 10 JKGE Clc1cc([C@H](Br)c2ccc3c(c2)CCCO3)ccc1I 232343686 QUXQFMFDNRAUJA-MRXNPFEDSA-N 463.540 5.754 50 10 JKGE Brc1ccc(I)cc1[C@@H](Br)c1ccccc1 232483118 HRWDYCRXJUHHRM-ZDUSSCGKSA-N 451.927 5.538 50 10 JKGE COc1ccc([C@H](Br)c2cccc(C)c2I)cc1Br 235001259 CICGALXAOYRQBN-AWEZNQCLSA-N 495.980 5.855 50 10 JKGE C[C@H]1Cc2cc([C@@H](Br)c3ccc(Br)cc3Br)ccc2O1 235766853 PRMFYUAJQQXIES-XXFAHNHDSA-N 460.991 6.019 50 10 JKGE Cc1sc(Br)cc1[C@H](Br)c1cc(Cl)ccc1Br 235823009 VAURILRZGANRBW-LBPRGKRZSA-N 459.428 6.719 50 10 JKGE O=C(NN=Cc1ccc(O)cc1)c1cc(-c2ccccc2OCc2cccc3ccccc23)n[nH]1 254443411 GRTYFIUTEQOKHO-UHFFFAOYSA-N 462.509 5.278 50 10 JKGE Cc1cc(C)c([C@H](Cl)c2cc(Br)c(Br)s2)c(C)c1Br 302315633 GJKNGQZADFFQCB-CYBMUJFWSA-N 487.482 7.289 50 10 JKGE Brc1cc2c(cc1[C@@H](Br)c1cccc(I)c1)CCO2 308411679 GERCCYFSLGHRCV-HNNXBMFYSA-N 493.964 5.473 50 10 JKGE Cc1cccc([C@@H]2CN(Cc3ccccc3)C[C@H]2CI)c1Br 382698351 BPQJGTCXAMKWRK-SJLPKXTDSA-N 470.192 5.408 50 10 JKGE C[C@@H](CN(C)Cc1ccccc1)n1c(CCl)nc2cc(I)c(F)cc21 385587274 HHXQNPJKRIKLEU-ZDUSSCGKSA-N 471.745 5.212 50 10 JKGE CCOc1ccc(Br)cc1[C@@H](Br)c1cccc(OCc2ccccc2)c1 388465587 OAGCKLPYMMLOBF-QFIPXVFZSA-N 476.208 6.911 50 10 JKGE FC(F)(F)c1csc([C@@H](Cl)c2sccc2I)c1Br 394137871 RFOSOGQSZXZTNL-ZETCQYMHSA-N 487.531 6.524 50 10 JKGE CC(C)(C)[Si](C)(C)OCCc1ccccc1[C@H]1CCCN(CCO[Si](C)(C)C(C)(C)C)C1 616618472 WDTZOEXIPIVKPB-DEOSSOPVSA-N 477.882 7.452 50 10 JKGE Cc1ccc([C@H](Br)c2ccc(F)c(Br)c2)c(C)c1Br 719532474 BKJUBVLEHUQKOJ-OAHLLOKOSA-N 450.971 6.452 50 10 JKGE N#C/C(=C\c1ccccc1OCc1ccc(Cl)cc1Cl)C(=O)Nc1cccc(Cl)c1Cl 1084125952 UFAWDPRFWJRVKA-MHWRWJLKSA-N 492.189 7.425 50 10 JKGE Cc1c(C(=O)Nc2ccccc2Br)oc2c1C(=NNC(=O)Cc1ccccc1)CCC2 1772749172 QUYAQNJSASMMCN-UHFFFAOYSA-N 480.362 5.002 50 10 JKGE Cc1c(C(=O)Nc2ccccc2Br)oc2c1C(=NNC(=O)c1cccs1)CCC2 1772749312 KYLOIQTVJBPXFU-UHFFFAOYSA-N 472.364 5.135 50 10 JKGE Cc1ccc(NC(=O)c2oc3c(c2C)C(=NNC(=O)Cc2coc4c(C)c(C)ccc24)CCC3)c(C)c1 1772752197 YGSYEIVGKAPOOW-UHFFFAOYSA-N 497.595 6.220 50 10 JKGE COc1ccc(-c2nn(-c3ccc(C)cc3)c3c2[C@@H](c2ccc(C(C)(C)C)cc2)C(C#N)=C(N)O3)cc1 1865682273 KVZMMOUZYCOVOH-SANMLTNESA-N 490.607 6.372 50 10 JKGE CC(C)(C)c1ccc([C@@H]2C(C#N)=C(N)Oc3c2c(-c2ccccc2)nn3Cc2ccc(F)cc2)cc1 1865682402 NREADNQPLUTRTL-RUZDIDTESA-N 478.571 6.253 50 10 JKGE CCCc1nn(-c2ccc(Br)cc2)c2c1[C@@H](c1ccc(Cl)cc1)C(C#N)=C(N)O2 1865684308 WHAVXJKCIFZDPE-IBGZPJMESA-N 469.770 5.459 50 10 JKGE CC(C)c1ccc([C@H]2C(C#N)=C(N)Oc3c2c(-c2ccccc2)nn3Cc2ccc(Cl)cc2)cc1 1865686053 QEGFAXGAYAKGET-VWLOTQADSA-N 480.999 6.593 50 10 JKGE CCCCOc1ccc([C@H]2C(C#N)=C(N)Oc3c2c(C)nn3-c2cccc(Cl)c2)cc1OCC 1865687066 IPJBLUYSDMAIOE-DEOSSOPVSA-N 478.980 5.630 50 10 JKGE CCOc1cccc([C@H]2C(C#N)=C(N)Oc3c2c(-c2ccccc2)nn3-c2ccccc2Cl)c1 1865689719 CVLGSJZPWJNEIS-QHCPKHFHSA-N 468.944 5.810 50 10 JKGE CCCCOc1ccc([C@@H]2C(C#N)=C(N)Oc3c2c(-c2ccccc2)nn3-c2ccc(C)cc2)cc1 1865689942 HFYDBWSHZCOOHJ-AREMUKBSSA-N 476.580 6.245 50 10 JKGE CCCCOc1ccc([C@@H]2C(C#N)=C(N)Oc3c2c(CC)nn3-c2ccc(C)cc2)cc1OC 1865696793 KOBYDGORCFLEMP-XMMPIXPASA-N 458.562 5.149 50 10 JKGE COc1ccc(-c2nn(Cc3ccc(F)cc3)c3c2[C@H](c2sccc2C)C(C#N)=C(N)O3)cc1 1865699473 VEQSIKCTPFBZCK-OAQYLSRUSA-N 472.545 5.334 50 10 JKGE CCCC[C@@H](NC(=O)C[C@@H](c1ccc(F)cc1)C(C)C)C(=O)Nc1ccc(SC#N)cc1 1866749015 OODFKPCICMFLGA-DHIUTWEWSA-N 455.599 5.842 50 10 JKGE CC(=O)Nc1ccccc1N1CCN(c2cc(Nc3ccc(SC#N)cc3)nc(C(C)C)n2)CC1 1868231511 IXXMMAZUBJUGTF-UHFFFAOYSA-N 487.633 5.202 50 10 JKGE Cc1ccc2nc3c(cc2c1)CCN3c1cc(Nc2ccc(SC#N)cc2)nc(C(C)C)n1 1868231735 QGFJGZHVHISOTP-UHFFFAOYSA-N 452.587 6.468 50 10 JKGE CC[C@H](C)[C@H](/C(O)=C(\C#N)c1nc(-c2cccc(OC)c2)cs1)N1C(=O)c2ccccc2C1=O 1872744268 JXSCWXKQPOZLEA-LVGNIFRQSA-N 473.554 5.322 50 10 JKGE COc1ccc(C/C(O)=C(\C#N)c2nc(-c3cccc(Br)c3)cs2)cc1OC 1872746040 OSFKQYQQBQGVQI-VLGSPTGOSA-N 457.349 5.625 50 10 JKGE CCOc1ccc(-c2csc(/C(C#N)=C(\O)CCc3ccc(OCC)c(OC)c3)n2)cc1 1872747614 LQXAERHFUXNZQU-XDOYNYLZSA-N 450.560 6.042 50 10 JKGE N#C/C(=C(/O)c1cc(C(F)(F)F)cc(C(F)(F)F)c1)c1nc(-c2cccc(Cl)c2)cs1 1872748102 IMNUJEINZRSJOK-ICFOKQHNSA-N 474.813 7.451 50 10 JKGE Cc1ccc(-c2csc(/C(C#N)=C(\O)[C@H](C)Oc3ccc(Cl)cc3Br)n2)c(C)c1 1872749021 XRGRJQJMZIYMFX-NNLSSIJJSA-N 489.822 7.103 50 10 JKGE CCCOc1ccc(-c2csc(/C(C#N)=C(\O)c3cc(C(F)(F)F)cc(C(F)(F)F)c3)n2)cc1 1872749448 RSXLVOCDZMNYHU-ZZEZOPTASA-N 498.448 7.586 50 10 JKGE COc1ccc(Cl)cc1N1C[C@@H](/C(O)=C(\C#N)c2nc(-c3cccs3)cs2)CC1=O 1872750974 WDKJVGVVSKNGOV-SXPRPLFSSA-N 457.964 5.379 50 10 JKGE Cc1cc(C)c(C)c(-c2csc(/C(C#N)=C(\O)c3ccccc3C(=O)c3ccccc3)n2)c1C 1872754328 NLKROFMKANUDOT-COOPMVRXSA-N 464.590 7.225 50 10 JKGE CCOc1ccc(OCC)c(-c2csc(/C(C#N)=C(\O)[C@@H](C)Oc3ccc(C(C)C)cc3)n2)c1 1872754699 DYFFHYDGWLPABA-FRXIXPCJSA-N 478.614 6.991 50 10 JKGE CCOc1ccc(OCC)c(-c2csc(/C(C#N)=C(\O)Cc3ccc(OC)c(OC)c3)n2)c1 1872754771 ICAKXRQQHQAPNW-VZCXRCSSSA-N 466.559 5.660 50 10 JKGE N#C/C(=C\c1ccc(OCc2ccc(Cl)cc2Cl)cc1)c1nc(-c2ccccc2)cs1 1872790104 LHQUUNRKDVZPMY-UDWIEESQSA-N 463.389 7.760 50 10 JKGE CC(C)CN1C(=O)c2ccc(/C(O)=C(\C#N)c3nc(-c4ccc(F)cc4F)cs3)cc2C1=O 1872818093 MSECHEYAGPBEDS-UZYVYHOESA-N 465.481 5.290 50 10 JKGE CC(C)(C)OC(=O)N1CCC[C@@H](C(=O)N/N=C/c2cccc(OCc3cccc(Cl)c3)c2)C1 1873499299 OPLNTSZJGRJGOW-QDCCHXAWSA-N 471.985 5.016 50 10 JKGE C[C@H](Cl)c1nc2c(Br)cc(F)cc2n1[C@H]1CN(Cc2ccccc2)C[C@H]1C 1912671449 ZYDZABPZCNAYPX-TYILLQQXSA-N 450.783 5.931 50 10 JKGE Brc1cc(Br)c([C@H](Br)[C@@H]2CC[C@H]3CCCC[C@@H]3C2)s1 1922955022 VIWFGXUDMPXAAY-ZHSDAYTOSA-N 471.096 7.316 50 10 JKGE Fc1cccc(Cl)c1[C@@H](Br)c1c(Br)sc(Br)c1Cl 1923054426 FJVOWBSTVAJNOD-MRVPVSSYSA-N 497.836 7.203 50 10 JKGE Cl[C@H](c1c(Br)sc(Br)c1Br)[C@@H]1C[C@H]2O[C@H]1[C@H]1C[C@@H]12 1924612742 DHEZAVMOAVTJSO-UTWSWALCSA-N 477.443 5.739 50 10 JKGE Fc1ccc(F)c([C@@H](Cl)c2c(Br)sc(Br)c2Br)c1F 1924615155 XBSPRUKZQSQHNN-MRVPVSSYSA-N 499.371 6.781 50 10 JKGE Cl[C@@H](c1c(Br)sc(Br)c1Br)[C@H]1CCC2(CC2)C1 1950247554 YAZVGINAKHVYEX-IMTBSYHQSA-N 463.460 6.896 50 10 JKGE C[C@@H]1CCO[C@@H]1C[C@H](Cl)c1c(Br)sc(Br)c1Br 1951106317 XHBNNPMVYPQWDK-DSYKOEDSSA-N 467.448 6.131 50 10 JKGE Brc1cc(NC[C@H]2C[C@H](Br)C2)cc(Br)c1Br 1991472233 BWGZTQYTSJATQN-LJGSYFOKSA-N 476.832 5.560 50 10 JKGE CC(C)(C)OC(=O)N1CC(O)(CN(Cc2ccccc2)CC2(CBr)CCCCCC2)C1 1999505728 BOSRRVRERUJZPS-UHFFFAOYSA-N 495.502 5.206 50 10 JKGE C[C@H]1CC[C@H]([C@H](Br)c2c(Br)sc(Br)c2Cl)CC1 2003103055 GOMLCKUFIMAHCY-ZKWXMUAHSA-N 465.476 7.189 50 10 JKGE Brc1cc([C@H](Br)[C@@]23CCCC[C@H]2OCC3)sc1Br 2031753554 ZZQJJPYBDNEZFN-NTZNESFSSA-N 459.041 6.058 50 10 JKGE Cc1cc([C@@H](Br)[C@@H](C)c2ccncc2Br)c(Br)s1 2039498462 KGOWQOKTZRVRRI-UFBFGSQYSA-N 454.025 6.216 50 10 JKGE Cc1c([C@H](Br)c2c(Cl)sc(Br)c2Cl)nn(C)c1Br 2049255136 FTAHIISZXJOMJE-RXMQYKEDSA-N 497.865 6.106 50 10 JKGE FC(F)(F)c1csc([C@@H](Cl)c2cc(I)sn2)c1Br 2056486855 FUQSHRYWJHWOKK-ZETCQYMHSA-N 488.519 5.919 50 10 JKGE C[C@@H](C[C@@H]1CCCCCN1C(=O)OC(C)(C)C)NCCSSCCNC(=O)OC(C)(C)C 2061265554 IRYFXFXCNHBMHO-OALUTQOASA-N 491.764 5.440 50 10 JKGE CCc1nn(C)c([C@@H](Br)c2cc(Cl)c(Br)s2)c1Br 2072302608 MMEKMDWZVZGZJK-VIFPVBQESA-N 477.447 5.707 50 10 JKGE C[C@]1(C(F)(F)F)C[C@H]1[C@@H](Br)c1ccc(Br)cc1Br 2083331448 ZGZUGDNPPHVYDV-LSJOCFKGSA-N 450.918 6.236 50 10 JKGE Clc1cccc(Cl)c1[C@H](Br)c1ccc(Br)cc1Br 2083339028 PFAWYSOIGKUDOA-CYBMUJFWSA-N 473.817 7.003 50 10 JKGE CC(C)(C)C[C@H](CBr)NC(=O)c1cccc(Br)c1Br 2092329103 RXDCFNYCMJSXIJ-SECBINFHSA-N 456.016 5.141 50 10 JKGE O=C(NC[C@@H]1CCCC[C@@H]1CBr)c1csc(Br)c1Br 2093944845 QLKDONZAAFKBNB-BDAKNGLRSA-N 474.056 5.204 50 10 JKGE Cn1nc([C@H](Br)c2csc3c(Br)cccc23)cc1Br 2094081190 ZXNVURDCFZMAIF-GFCCVEGCSA-N 465.008 5.644 50 10 JKGE FC1(F)C[C@]12CC[C@@H]([C@@H](Cl)c1c(Br)sc(Br)c1Br)C2 2099913890 BKSVJOWQMFOTHQ-ZDRUMUKXSA-N 499.440 7.141 50 10 JKGE Cc1cc(Br)c(C)c([C@H](Cl)c2cc(Br)n(C)n2)c1Br 2136384862 VHAPHPWANKTWID-CYBMUJFWSA-N 471.418 5.653 50 10 JKGE CC(C)c1nc(Br)c(Br)n1CC1(CBr)CCCCCC1 2143938717 AAAHZRRYVZYXDB-UHFFFAOYSA-N 471.075 6.267 50 10 JKGE Cc1cccc(C[C@@H](CBr)Cc2ccc(Br)cc2Br)c1 2148681020 HIVJKKFERWXSEY-CQSZACIVSA-N 461.035 6.316 50 10 JKGE O=C(c1cccc(Br)c1Br)N1CCC[C@H](CCBr)CC1 2149749789 YFSXROLJBMGZGS-LLVKDONJSA-N 468.027 5.239 50 10 JKGE C[C@H](Br)C[C@H]1CCCCN1C(=O)c1c(Br)cccc1Br 2150489343 BLACFRXBMPHSJS-WDEREUQCSA-N 468.027 5.380 50 10 JKGE COc1cc([C@H](Br)c2scc(C)c2Br)c(OC)cc1Br 2157036047 RYZZLAJMIFDUPF-ZDUSSCGKSA-N 485.035 6.083 50 10 JKGE C[C@H](Cl)c1nc2cc(Br)c(Cl)cc2n1[C@@]12C[C@@H]1CN(Cc1ccccc1)C2 2160060302 HMMALLOMNSOLON-QDUSTFBWSA-N 465.222 5.983 50 10 JKGE CC1(C)C[C@@H](CBr)CN(C(=O)c2c(Br)cccc2Br)C1 2172577273 HTTDBDCCWJUSRY-JTQLQIEISA-N 468.027 5.095 50 10 JKGE BrC[C@H]1CN(Cc2cc(Br)ccc2Br)CC12CCCC2 2175209782 PSSWDWSYCMXEAL-ZDUSSCGKSA-N 466.055 5.599 50 10 JKGE CC(C)(C)OC(=O)NCCSSCCN[C@H]1CCOc2c(Cl)cc(Cl)cc21 2181745619 DDWCAGSBBWGFNT-HNNXBMFYSA-N 453.457 5.313 50 10 JKGE CC(C)CNCc1cc(Br)cc(Br)c1OC[C@H]1C[C@H]1Br 2196907840 UFRNXWAPYJAHGT-DGCLKSJQSA-N 470.043 5.119 50 10 JKGE Cc1c(Br)sc([C@@H](Cl)c2ccc(I)c(Cl)c2)c1C 2218788881 RLTVFVAZCMENPJ-NSHDSACASA-N 476.004 6.714 50 10 JKGE Cc1c(Br)sc([C@H](Br)c2cc(F)cc(Br)c2)c1C 2218790685 NEOGWCIFVQEUBN-LLVKDONJSA-N 457.000 6.513 50 10 JKGE CCc1nn(C)c([C@H](Br)c2cc(Br)ccc2Br)c1Cl 2232171347 DJYRPXZEDNFCDC-LLVKDONJSA-N 471.418 5.645 50 10 JKGE O=C(c1cc(Br)c(Br)s1)N1CC[C@@H]2[C@H](Br)CCC[C@H]2C1 2233739838 IGGLNXRMRIEHKR-LPEHRKFASA-N 486.067 5.299 50 10 JKGE O=C(Nc1ccc(Cl)cc1CCl)c1ccc(Br)cc1I 2239476843 TWAQOJJECQLPPT-UHFFFAOYSA-N 484.946 5.698 50 10 JKGE CC(C)(C)OC(=O)N1CCC[C@@](CBr)(OCc2ccc(C(F)(F)F)cc2)C1 2239617540 GZRJIGRZERYAPV-SFHVURJKSA-N 452.311 5.387 50 10 JKGE COC1([C@@H](Br)c2sc(Br)cc2Br)CC(CF)C1 2247498413 SSYBXYJISMBLAJ-JEWWZCJESA-N 450.993 5.474 50 10 JKGE COc1ccc([C@H](Br)c2cc(Br)co2)cc1I 2249402520 IMSKTWYHTJOQHC-LBPRGKRZSA-N 471.914 5.140 50 10 JKGE Cc1cc(Br)c([C@@H](Br)c2cc(Br)sn2)c(C)c1F 2253508110 FDQOOSBTHXQJMI-NSHDSACASA-N 457.988 5.908 50 10 JKGE C[C@H](C(F)(F)F)C(CBr)(CBr)c1cccc(Br)c1 2263899353 WKSRPEDCHMGGAL-QMMMGPOBSA-N 452.934 5.675 50 10 JKGE Cc1c(CBr)cccc1NC(=O)c1cc(Br)sc1Br 2268266361 QPEFXVLJPYLGPF-UHFFFAOYSA-N 468.008 5.729 50 10 JKGE COc1c([C@H](Br)c2cscc2OCc2ccccc2)cc(Br)c(C)c1C 2269163163 ZMOBWVPKIITOTC-FQEVSTJZSA-N 496.264 7.199 50 10 JKGE Fc1cccc(Br)c1CC[C@H](Br)c1ccccc1Br 2274022469 AVZMPCLYJOYTQL-AWEZNQCLSA-N 450.971 6.420 50 10 JKGE COc1c(Br)cc(Cl)c(C)c1[C@H](Br)c1cc(Br)cs1 2277887281 ZJUIRPUTAYKVBV-GFCCVEGCSA-N 489.454 6.728 50 10 JKGE Fc1c(Cl)cccc1[C@H](Br)Cc1cc(Br)cc(Br)c1 2277960550 JEZCDZLOKRAVOB-GFCCVEGCSA-N 471.389 6.683 50 10 JKGE COCC1([C@@H](Br)c2ccc(Br)cc2Br)CC(F)(F)C1 2278181926 AGWUUZOXVLXPRC-NSHDSACASA-N 462.954 5.710 50 10 JKGE COc1ccc([C@@H](Br)c2cc(Cl)ccc2OC)cc1I 2284996523 AVFWHTIQUWTTAZ-OAHLLOKOSA-N 467.528 5.446 50 10 JKGE Fc1cc(Cl)c([C@H](Cl)Cc2ccc(Br)cc2Cl)cc1Br 2285839825 JGCULKURRIRMKC-GFCCVEGCSA-N 461.383 7.180 50 10 JKGE C=CC[C@]1(CBr)CCCCN1Cc1cccc(Br)c1Br 2287722847 XACLOMNBBIXKBD-MRXNPFEDSA-N 466.055 5.907 50 10 JKGE Cc1ccc(NC=C(C#N)c2nc(-c3cc4cc([N+](=O)[O-])ccc4oc3=O)cs2)cc1Cl 2295891362 HPDLIYGSHPIFPD-UHFFFAOYSA-N 464.890 5.763 50 10 JKGE CCOc1ccc(NC(=O)C(C#N)=Cc2c(Oc3ccc(C)cc3C)nc3ccccn3c2=O)cc1 2296720841 AQVSKWMTJPACJC-UHFFFAOYSA-N 480.524 5.048 50 10 JKGE CCOC(=O)c1c(NC(=O)C(C#N)=Cc2ccc(-c3ccc([N+](=O)[O-])cc3Cl)o2)sc(C)c1C 2296833148 HBHFQFKILVATPF-UHFFFAOYSA-N 499.932 5.909 50 10 JKGE Brc1ccc(OCc2ccccc2)c([C@@H](Br)C2CC3(COC3)C2)c1 2299503751 IHSMDMIVFNJBOK-IBGZPJMESA-N 452.186 5.891 50 10 JKGE CCOc1cc(C=C(C#N)C(=O)Nc2cc(Cl)ccc2Cl)ccc1OCc1ccc(C)cc1 2313631824 WOGPSKRIGVFSKK-UHFFFAOYSA-N 481.379 6.825 50 10 JKGE CCOc1ccc(NC(=O)C(C#N)=Cc2ccccc2OCc2ccc(Cl)cc2Cl)cc1 2313670837 ZSXLWEGIIDOBTK-UHFFFAOYSA-N 467.352 6.517 50 10 JKGE CC1(C)C[C@H](C[C@@H](Br)c2ccc(OCc3ccccc3)cc2Br)CO1 2314440857 TVGQQOGDTJQKIR-QFBILLFUSA-N 468.229 6.669 50 10 JKGE FC1(F)CCCC[C@@H]1[C@H](Br)c1ccc(OCc2ccccc2)cc1Br 2314449715 SCTXKXFVNSSLJE-IEBWSBKVSA-N 474.183 7.290 50 10 JKGE Cc1cccc(C[C@@H]2SC(=C(C#N)C(=O)N[C@@H](C)c3ccccc3)N(c3ccc(C)c(C)c3)C2=O)c1 2314593397 MISWIATZKHXNDG-CUNXSJBXSA-N 495.648 5.916 50 10 JKGE COc1cc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)C=Cc4ccccc4)ccc32)ccc1OCC(C)C 2314634731 DDVSFXUFENDKDR-GDLZYMKVSA-N 496.563 5.567 50 10 JKGE Fc1c(Br)cc(Cl)c([C@H](Br)CCC(F)(F)F)c1Br 2315448509 BEQCJXSEWITNDV-SCSAIBSYSA-N 477.315 6.783 50 10 JKGE CC[C@H](c1ccccc1)[C@@H](Br)c1sc(Cl)cc1I 2316598355 BVJSBXCDSJCUFP-ZWNOBZJWSA-N 455.586 6.636 50 10 JKGE CCOc1cc(C=NNC(=O)c2ccc(N)cc2)ccc1OCc1ccc(Cl)cc1Cl 2323310643 UUQOMDMEIXDPOK-UHFFFAOYSA-N 458.345 5.317 50 10 JKGE O=C(NN=Cc1ccc(Cl)cc1Cl)c1ccc(Nc2nc(O)c3ccccc3n2)cc1 2323766648 BDELOEAIQBHGNB-UHFFFAOYSA-N 452.301 5.150 50 10 JKGE COc1cc2nc(C(C#N)=Cc3cc(OC)c(OCc4ccccc4)c(OC)c3)nc(O)c2cc1OC 2331042558 MXHGCKFQRJWXRG-UHFFFAOYSA-N 499.523 5.013 50 10 JKGE CC(C)c1ccc(O[C@@H](C)C(O)=C(C#N)c2nc(-c3ccc(-c4ccccc4)cc3)cs2)cc1 2331231966 DVRODOVNNWLKDG-FQEVSTJZSA-N 466.606 7.861 50 10 JKGE N#CC(=C(O)c1cccc(Oc2ccccc2)c1)c1nc(-c2ccc(Br)cc2)cs1 2331260130 NBMMMMNOTCQIEG-UHFFFAOYSA-N 475.367 7.315 50 10 JKGE COc1ccc(-c2csc(C(C#N)=C(O)[C@H]3CC(=O)N([C@@H](C)c4ccccc4)C3)n2)cc1F 2331336849 CYXZNJWUXONCKG-YJBOKZPZSA-N 463.534 5.360 50 10 JKGE CCCCCCCOc1ccc(-c2csc(C(C#N)=C(O)Cc3ccccc3OC)n2)cc1 2331344756 KFTYBSVLFGPYJF-UHFFFAOYSA-N 462.615 7.203 50 10 JKGE Fc1cc(Br)c(Br)cc1[C@H](Br)C[C@H]1CCC[C@@H]2C[C@@H]21 2333605548 PMBUCYILNOOUPM-MWGHHZFTSA-N 455.003 6.613 50 10 JKGE Cc1cc(Br)c([C@@H](Br)[C@H]2CCC[C@@H]3C[C@H]23)c(C)c1Br 2333708414 ILBVSUFSSDLFPS-YRORDHRNSA-N 451.040 6.701 50 10 JKGE Brc1cc(OCc2ccccc2)ccc1[C@H](Br)c1csc2ccccc12 2336085151 ZSLZSCIABLEQKQ-QFIPXVFZSA-N 488.244 7.727 50 10 JKGE Clc1ccc(CN2CC[C@]3(CCC[C@H]3Br)C2)cc1I 2337226300 WTHNWXHEMOQBFM-HUUCEWRRSA-N 454.577 5.084 50 10 JKGE Cc1cc(Br)c(F)c(Br)c1[C@@H](Br)[C@@H]1[C@H]2CCCO[C@H]21 2339655850 HXFOYLADFORAST-VTEVMWQTSA-N 456.975 5.520 50 10 JKGE Cc1cc(Br)c(F)c(Br)c1[C@H](Br)C12CCC(CC1)O2 2339656732 QNMBEKNSKOFSJG-KQZUMFKRSA-N 456.975 5.807 50 10 JKGE Fc1cc(Cl)c(Br)c(Cl)c1[C@H](Br)[C@H]1CC12CC(F)(F)C2 2360425185 ACOYFKBCRMZKMR-MLUIRONXSA-N 452.923 6.766 50 10 JKGE Cc1cc(C)c(C)c([C@@H](Br)c2c(Br)c(Br)nn2C)c1C 2364228606 OPVLGPWKLKSYSX-GFCCVEGCSA-N 465.027 5.663 50 10 JKGE O=C(N[C@H](CCBr)COCc1ccccc1)c1cc(C(F)(F)F)ccc1Cl 2369432534 DSAIEOSPZUYNPJ-OAHLLOKOSA-N 464.709 5.459 50 10 JKGE COC(C)(C)C1([C@@H](Br)c2c(Br)cc(Cl)c(Cl)c2Cl)CC1 2369557371 IKYUIZNQNZHIEG-LBPRGKRZSA-N 465.440 7.051 50 10 JKGE COc1ncc(Br)c(C)c1C[C@@H](Br)c1ccc(Br)cc1 2370381744 YWRVOQWXZAQNBB-CYBMUJFWSA-N 463.995 5.602 50 10 JKGE Clc1ccc(I)cc1C[C@@H]1CCCCCCCC[C@H]1Br 2380522867 POOMTLGSQWHQCL-XJKSGUPXSA-N 469.632 7.001 50 10 JKGE COc1ccc2cc(Br)ccc2c1CC(=O)NN(c1ccccc1)c1ccccc1 35550711 RXMSMUFHFVAOLO-UHFFFAOYSA-N 461.359 6.023 50 10 JKGE CCCCOc1ccccc1[C@@H]1C(C#N)=C(N)Oc2cc(OC(=O)c3ccc(C)cc3)ccc21 38682640 WBHNQIVMHDXNNB-SANMLTNESA-N 454.526 5.611 50 10 JKGE C=CCOc1ccc(C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@H]3c2cccc(OCCC)c2)cc1 38684441 VNUUWLOTVGUDLR-MHZLTWQESA-N 482.536 5.478 50 10 JKGE CCCCC1CCC(C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@H]3c2cccc(OC)c2OC)CC1 38688652 OGEJCGQUEZXSID-LJLLCPEMSA-N 490.600 5.824 50 10 JKGE CCc1ccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4sc5ccccc5c4Cl)ccc32)cc1 38700429 KJJVGSQNOUAIJG-HSZRJFAPSA-N 486.980 6.554 50 10 JKGE CCOc1ccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4oc5ccccc5c4C)ccc32)cc1 38701362 IZBNKIIIAOOEPS-RUZDIDTESA-N 466.493 5.577 50 10 JKGE CCOc1ccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4oc5cc(C)ccc5c4C)ccc32)cc1 38701367 CLVYOZUNLLOOBB-AREMUKBSSA-N 480.520 5.886 50 10 JKGE Cc1c(C(=O)Nc2cccc(Cl)c2)oc2c1/C(=N/NC(=O)c1ccc(-c3ccccc3)cc1)CCC2 40822741 QZNRAQHSPUIDSA-FEZSWGLMSA-N 497.982 6.631 50 10 JKGE Cc1cccc(NC(=O)c2oc3c(c2C)/C(=N/NC(=O)Cc2coc4cc(C)cc(C)c24)CCC3)c1 40826972 ISOYGHGNAJOCJC-DFKUXCBWSA-N 483.568 5.911 50 10 JKGE CC(C)(C)c1cc(Br)ccc1OCC(=O)N/N=C/c1ccc(Cl)cc1Cl 40902841 HIUAOUSRTIDMOZ-AUEPDCJTSA-N 458.183 5.583 50 10 JKGE CCOc1ccc(/C=N/NC(=O)CCCOc2ccc(CC)cc2Br)cc1OCC 40959426 HAWGWGDZLFUVJU-PCLIKHOPSA-N 477.399 5.118 50 10 JKGE O=C(CSc1c(Cl)c(Cl)c(Cl)c(Cl)c1Cl)N/N=C/c1cccc(F)c1 59165760 MJKSDLWGGPJVHN-RREIPUBJSA-N 460.572 6.335 50 10 JKGE C[C@@H](NC(=O)/C(C#N)=C/c1ccc(OCc2ccc(Cl)c(Cl)c2)cc1)c1ccccc1 59255363 SGDRPIIQSFHMRU-VYVDHXHBSA-N 451.353 6.357 50 10 JKGE C[C@@H](NC(=O)/C(C#N)=C/c1ccccc1OCc1ccc(Cl)c(Cl)c1)c1ccccc1 59292124 FOMXPMJSZIQTCK-AQRZYSDFSA-N 451.353 6.357 50 10 JKGE N#C/C(=C\c1ccc(-c2cc(C(=O)O)ccc2Cl)o1)C(=O)Nc1cccc(Cl)c1Cl 59336375 LQSHCADVBFPTBP-XYOKQWHBSA-N 461.688 6.151 50 10 JKGE CC(C)(C)c1ccc(OCCn2cc(/C=C(/C#N)C(=O)NC3CCCCC3)c3ccccc32)cc1 96577088 TWISLXOGJIAHOP-QOCHGBHMSA-N 469.629 6.374 50 10 JKGE COc1cc(/C=C(/C#N)c2ccc(F)cc2)c(Br)cc1OCc1ccccc1Cl 96936256 QGVVMNMCFVYBMZ-ZDLGFXPLSA-N 472.741 6.893 50 10 JKGE COc1ccc([C@@H](C(=O)NC2CCCCCC2)N(Cc2ccc(C)cc2)C(=O)CCl)cc1OC 97914920 OAYMEQAYXKVLBX-SANMLTNESA-N 487.040 5.160 50 10 JKGE COc1cc(/C=C(/C#N)C(=O)NC(C)C)ccc1OC(=O)CCCOc1ccc(C(C)(C)C)cc1 98027945 PYAHWDULGZLFJI-PGMHBOJBSA-N 478.589 5.189 50 10 JKGE CCOc1ccc(-c2nn(-c3ccccc3)cc2/C=C(\C#N)C(=O)Nc2ccc(C)cc2)cc1C 102858512 IGMRZQJANHDNSO-HAVVHWLPSA-N 462.553 6.101 50 10 JKGE O=C(C[P+](c1ccccc1)(c1ccccc1)c1ccccc1)C1=C[C@H](/C=C/c2ccccc2)OC1=O 111448154 IPNRVMZVJKDWPB-RFJJORBGSA-N 489.531 5.115 50 10 JKGE Cc1ccc(C(CBr)(CBr)Cc2cc(Br)cs2)cc1 118670826 LKMKHQZPDRZKBZ-UHFFFAOYSA-N 467.064 6.089 50 10 JKGE Clc1cc2c(cc1[C@H](Br)c1csc(I)c1)OCCO2 124421995 RLWQYWSWVDJHFO-CYBMUJFWSA-N 471.541 5.262 50 10 JKGE Cc1csc(CC(CBr)(CBr)c2ccc(Br)cc2)n1 127437319 VXOOAGNGPCSRTG-UHFFFAOYSA-N 468.052 5.484 50 10 JKGE Brc1cc([C@H](Br)c2ccc3c(c2)OCCCO3)sc1Br 128547530 XBNWMTPFKNMYAI-CYBMUJFWSA-N 483.019 5.919 50 10 JKGE Cc1c(C)c(C)c([C@@H](Br)c2cc(Br)c(Br)s2)c(C)c1C 128548472 CZAGEHVXQCWMEY-HNNXBMFYSA-N 481.091 7.300 50 10 JKGE Brc1ccc2cc([C@@H](Br)c3ccc(Br)s3)ccc2c1 134986763 KRKFZPOSYJASSK-OAHLLOKOSA-N 461.016 6.911 50 10 JKGE CC[C@@H](C)c1ccc([C@H](Br)c2cc(Br)ccc2Br)cc1 161081721 DKLNQMPPDFPWMG-DIFFPNOSSA-N 461.035 7.209 50 10 JKGE C[C@H]1CCC[C@](CBr)(NC(=O)c2cc(Br)ccc2Br)C1 161224783 CTPIKBZHEBAMKY-BONVTDFDSA-N 468.027 5.285 50 10 JKGE COc1cccc(C(=O)N/N=C/c2ccc(OCc3c(Cl)cccc3Cl)c(OC)c2)c1 169878429 DDEYKLWEYUFWMQ-LGJNPRDNSA-N 459.329 5.354 50 10 JKGE CCOc1cc(/C=C(/C#N)C(=O)NCc2ccco2)ccc1OC(=O)COc1ccc(C(C)C)cc1 206732832 PVZBMXVZUVKRGL-HMAPJEAMSA-N 488.540 5.009 50 10 JKGE C[C@H]1Cc2cc([C@H](Br)c3ccc(I)c(Cl)c3)ccc2O1 232343500 UWNHXJZGOVMDOS-FVMDXXJSSA-N 463.540 5.752 50 10 JKGE COc1cc(C)c(Br)cc1[C@H](Br)c1cccc(Br)c1F 234805871 BZWCFWKMCAQQLC-CQSZACIVSA-N 466.970 6.152 50 10 JKGE COc1cc(F)c(Br)cc1[C@H](Cl)c1cc(Br)cc(Br)c1 234921911 TVPMRXQLYZDDBK-CQSZACIVSA-N 487.388 6.450 50 10 JKGE Cc1cc(Br)c([C@@H](Br)c2cc(Cl)sc2Cl)cc1Br 235812158 RNYLDBRWRZJHJF-LLVKDONJSA-N 493.873 7.373 50 10 JKGE Fc1cccc(F)c1C[C@@H](Br)c1ccc(Br)cc1Br 236181507 QUCHTADRADQIQR-GFCCVEGCSA-N 454.934 6.169 50 10 JKGE Cc1ccc(C(=O)NN=Cc2c(OCc3cccc(Br)c3)ccc3ccccc23)cc1 252618191 LETUHTVUZSBVDC-UHFFFAOYSA-N 473.370 6.254 50 10 JKGE Cc1ccc(-c2nnc(SCC(=O)NN=Cc3c(O)ccc4ccccc34)n2C2CCCCC2)cc1 254834384 GCXLSDUJBLKMJG-UHFFFAOYSA-N 499.640 5.860 50 10 JKGE Cc1ccc(-c2cc(C(=O)NN=Cc3ccc(OCc4ccccc4)cc3)c3ccccc3n2)cc1 263622207 OIQUBRNGPGGBIT-UHFFFAOYSA-N 471.560 6.553 50 10 JKGE Fc1cc(Br)c([C@@H](Cl)c2sccc2I)c(F)c1F 398727373 LHNMHMSLWYEJQQ-MRVPVSSYSA-N 467.475 5.861 50 10 JKGE CN(C(=O)OC(C)(C)C)c1ccccc1[C@@H]1COCCCN1CCO[Si](C)(C)C(C)(C)C 616597907 UUZFGUSADXIZIU-QFIPXVFZSA-N 464.723 5.843 50 10 JKGE Fc1cc(C[C@@H](CBr)Cc2ccc(Br)cc2)ccc1Br 722014160 HZDUGRIWZDMZLB-ZDUSSCGKSA-N 464.998 6.147 50 10 JKGE Cc1ccc([C@@H](Br)c2sc(C)c(Br)c2C)cc1Br 724929033 UCMRNNCKUUFKMD-CYBMUJFWSA-N 453.037 6.683 50 10 JKGE CCOc1ccc([C@H](O)CCC(=O)NN=Cc2cc(C(C)(C)C)c(O)c(C(C)(C)C)c2)cc1 725401748 UQFBRJKMFHUKOS-HSZRJFAPSA-N 454.611 5.350 50 10 JKGE COc1cc(C=NNC(=O)c2ccccc2C)ccc1OCc1ccc(Br)cc1 725414980 CDAQYWVHDLFIEL-UHFFFAOYSA-N 453.336 5.109 50 10 JKGE CCCCCC(=NNC(=O)COc1c(C)cc(Br)cc1Br)c1ccccc1 1084327668 VBOHEHREFGVMAV-UHFFFAOYSA-N 496.243 6.000 50 10 JKGE COc1ccc(/C(C#N)=C/c2ccc(OC(=O)c3cc4ccccc4oc3=O)c(OC)c2)cc1 1615066087 MFUDAFRFYJCDNO-DEDYPNTBSA-N 453.450 5.094 50 10 JKGE Cc1c(C(=O)Nc2cc(Cl)cc(Cl)c2)oc2c1C(=NNC(=O)c1ccccn1)CCC2 1772748122 YPYLVSVAMDMQDK-UHFFFAOYSA-N 457.317 5.013 50 10 JKGE Cc1cccnc1NC(=O)c1oc2c(c1C)C(=NNC(=O)Cc1coc3c(C)c(C)ccc13)CCC2 1772752058 SUKUTBUWESSMFV-UHFFFAOYSA-N 484.556 5.306 50 10 JKGE C[C@@H](Oc1cccnc1NC(=O)Oc1ccc([N+](=O)[O-])cc1)C(=O)Nc1ccccc1C(F)(F)F 1858686893 FXLOBSCQORELHW-CYBMUJFWSA-N 490.394 5.026 50 10 JKGE CCCCOc1ccc([C@H]2C(C#N)=C(N)Oc3c2c(C(F)(F)F)nn3Cc2cc(C)ccc2C)cc1 1865690665 YHXXNTUWNLHTDR-QFIPXVFZSA-N 496.533 5.964 50 10 JKGE CCCCCOc1ccc([C@@H]2C(C#N)=C(N)Oc3c2c(CCC)nn3CCC)cc1OCC 1865691066 ILKAPIPBSJVRCA-HSZRJFAPSA-N 452.599 5.431 50 10 JKGE COc1ccc(-c2nn(Cc3ccccc3Cl)c3c2[C@H](c2ccco2)C(C#N)=C(N)O3)cc1 1865697734 AIVVBAQSORLQCD-NRFANRHFSA-N 458.905 5.072 50 10 JKGE CCCc1nn(Cc2ccccc2Cl)c2c1[C@@H](c1ccc(Cl)c([N+](=O)[O-])c1)C(C#N)=C(N)O2 1865706394 VSHCXTZENONLIG-FQEVSTJZSA-N 484.343 5.317 50 10 JKGE Cc1ccccc1[C@@H]1C(C#N)=C(N)Oc2c1c(C(F)(F)F)nn2Cc1ccc(Cl)c(Cl)c1 1865712785 HVBYQXFCLNIEMJ-QGZVFWFLSA-N 479.289 5.784 50 10 JKGE CC(C)[C@H](C(=O)N[C@H](Cc1ccc(O)cc1)C(=O)Nc1ccc(SC#N)cc1)c1ccc(F)cc1 1866966770 CRXNAHVTEFYSKD-RPBOFIJWSA-N 491.588 5.210 50 10 JKGE N#CSc1ccc(Nc2cc(N3CCO[C@@H](c4cccnc4)C3)nc(-c3ccc(F)cc3)n2)cc1 1868455728 AQFIHMIFPVHHLX-HSZRJFAPSA-N 484.560 5.572 50 10 JKGE CCCCc1ccc(N2C[C@@H](/C(O)=C(\C#N)c3nc(-c4cccc(OC)c4)cs3)CC2=O)cc1 1872744558 YCYQKIZRNJDHIQ-UOODYVSWSA-N 473.598 6.007 50 10 JKGE COc1cc(/C=C/C(O)=C(\C#N)c2nc(-c3ccc(C)cc3C)cs2)cc(Br)c1OC 1872748514 AVBXWDMUHVBSPV-LGIBAPSDSA-N 497.414 6.713 50 10 JKGE N#C/C(=C(/O)c1c(Cl)ccc(Cl)c1Cl)c1nc(-c2ccc3c(c2)OCO3)cs1 1872752423 BJRDDURGYUKRIX-ZDLGFXPLSA-N 451.718 6.449 50 10 JKGE COc1ccc(-c2csc(/C(C#N)=C(\O)c3cc(C(F)(F)F)cc(C(F)(F)F)c3)n2)c(C)c1C 1872754137 DUCFYSUSIKRZJB-JZJYNLBNSA-N 498.448 7.423 50 10 JKGE COc1c(Cl)cc(-c2csc(/C(C#N)=C(\O)COc3cccc(C)c3C)n2)cc1Cl 1872755876 KIMCUQIAUZXWOT-CYVLTUHYSA-N 461.370 6.614 50 10 JKGE COc1ccc(-c2csc(/C(C#N)=C(O)/C=C\c3ccc4c(c3)OCCO4)n2)c2ccccc12 1872758757 PEJBKNOPJNXPCI-LKELOTDNSA-N 468.534 6.249 50 10 JKGE COc1ccc(-c2csc(/C(C#N)=C(\O)c3cc([N+](=O)[O-])c(C)c([N+](=O)[O-])c3)n2)c2ccccc12 1872758797 QRZUXESGHUGIQD-NKFKGCMQSA-N 488.481 6.047 50 10 JKGE CCc1ccc(-c2csc(/C(C#N)=C/c3ccc(OCCN4CCOCC4)c(OC)c3)n2)cc1 1872781810 SFXUSYFWTIDJHM-XQNSMLJCSA-N 475.614 5.156 50 10 JKGE Cc1oc(Br)cc1[C@H](Br)c1sc(Cl)cc1I 1901026560 QWHUGWAUCVOHAM-VIFPVBQESA-N 496.389 6.154 50 10 JKGE C[C@H](CCl)N(Cc1ccccc1)C(=O)c1cc(Br)ccc1I 1914226685 BVSLFOKCZNKERZ-GFCCVEGCSA-N 492.582 5.323 50 10 JKGE O=C(c1c(Cl)cccc1C(F)(F)F)N(Cc1ccccc1)[C@@H](CBr)C1CC1 1915270430 HFRZFNFYIVRFJY-KRWDZBQOSA-N 460.721 6.175 50 10 JKGE C[C@@H]([C@H](Br)c1c(Br)sc(Br)c1Br)C(C)(C)C 1924604895 JSJRKEVBIRCPAM-FSPLSTOPSA-N 497.916 7.154 50 10 JKGE Brc1cc(Br)cc([C@@H](Br)Cc2ncccc2Br)c1 1924861547 PEVWSVSCVXMVFX-LBPRGKRZSA-N 498.838 6.048 50 10 JKGE C[C@]1(F)C[C@H]([C@@H](Br)c2c(Br)sc(Br)c2Cl)C1 1992297440 HTLQNDWERABKHB-FAWMWEEZSA-N 455.412 6.501 50 10 JKGE C[C@@H]1C[C@@H]([C@@H](Cl)c2c(Br)sc(Br)c2Br)CCO1 2011643859 HYBDQECKQZLFDS-QIOHGKGESA-N 467.448 6.131 50 10 JKGE FC(F)([C@H]1CCOC1)[C@H](Br)c1cc(Br)c(Br)s1 2012976948 IOLDCIDKORFJGH-YLWLKBPMSA-N 454.956 5.381 50 10 JKGE Cc1c(Br)ccc([C@H](Cl)c2cscc2Br)c1Br 2024293637 IECCTXKJYNAOJD-LBPRGKRZSA-N 459.428 6.672 50 10 JKGE Cl[C@@H](Cc1ccc(Br)cc1)c1cccc(Br)c1Br 2031481256 DKTIJPHEPLJWEO-ZDUSSCGKSA-N 453.399 6.497 50 10 JKGE Cc1ccccc1[C@H](c1ccccc1P(c1ccccc1)c1ccccc1)N(C)[S@@](=O)C(C)(C)C 2080761495 JMVREUXNMBRSOD-BIMVPBQRSA-N 499.660 6.237 50 10 JKGE Cc1cccc(Br)c1[C@@H](Br)c1c(Br)sc(C)c1C 2082886353 WMFOGKUFGUVUIH-CYBMUJFWSA-N 453.037 6.683 50 10 JKGE Clc1ccc(I)c(CN2C[C@@H](Br)CC3(CCC3)C2)c1 2094997565 QILIPIRYPJUWPY-LBPRGKRZSA-N 454.577 5.084 50 10 JKGE CCc1nc([C@H](Br)[C@H](C)c2ccncc2Br)c(Br)s1 2113187387 MDYPKBPFKOUPTL-RDDDGLTNSA-N 469.040 5.865 50 10 JKGE Cn1ncc2cc([C@@H](Br)c3cc(Br)ccc3Br)sc21 2118609254 NVPCARVFTXVYLK-LBPRGKRZSA-N 465.008 5.644 50 10 JKGE BrCc1cc(Br)cc(Br)c1OCC[C@]12CCC[C@@H]1C2 2125594999 FRRMRHABIJFDAY-ABAIWWIYSA-N 453.012 6.066 50 10 JKGE Cc1cc(Br)c(C)c([C@@H](Br)[C@@H]2CCCC23CC3)c1Br 2136367409 QMGOHUWQAFPRTJ-NHYWBVRUSA-N 451.040 6.845 50 10 JKGE Cc1cc(Br)c(C)c([C@H](Br)C2(C)CCCCC2)c1Br 2136379732 NTKOWEFCWCGWCF-HNNXBMFYSA-N 453.056 7.235 50 10 JKGE Clc1cc2c(c([C@H](Br)Cc3ccccc3I)c1)OCC2 2143869278 XNMXFXGLWOAAGM-CQSZACIVSA-N 463.540 5.558 50 10 JKGE C[C@@H](Cl)c1nc2ccc(F)c(Br)c2n1C1(CCOCc2ccccc2)CC1 2146509182 ZVHAGVYCJCAXFL-CQSZACIVSA-N 451.767 6.334 50 10 JKGE COc1ccc([C@@H](Br)c2cc(Cl)c(Cl)s2)c(OC)c1Br 2156049370 GMJLPTRQNADEFM-SNVBAGLBSA-N 461.002 6.319 50 10 JKGE CN(C(=O)c1cc(I)ccc1Br)[C@@H]1CCCCC[C@@H]1Cl 2172548898 XGPIPVKGKAEIHL-UONOGXRCSA-N 470.576 5.066 50 10 JKGE C[C@H](c1cccs1)N(Cc1ccccc1)S(=O)(=O)N1CCC(CCBr)CC1 2179956323 NFVDMGGJGHSJAB-QGZVFWFLSA-N 471.486 5.053 50 10 JKGE Cc1cc(Br)c(C)c([C@H](Br)C2(CC3CC3)CCC2)c1Br 2201072069 HUBBLDIAOAWXRU-INIZCTEOSA-N 465.067 7.235 50 10 JKGE ClCc1nc2cc(I)ccc2n1C[C@@]12CC[C@@H]1CN(Cc1ccccc1)C2 2201228025 ILKHAJOHNRYYGG-VGSWGCGISA-N 491.804 5.292 50 10 JKGE COc1ccc(Br)cc1[C@H](Cl)c1ccc(Br)c(C)c1Br 2203686110 SIRLYQKYPOUWKW-OAHLLOKOSA-N 483.425 6.619 50 10 JKGE COc1c(Br)cc(C)cc1[C@H](Br)Cc1ccc(Br)cc1 2203830603 SWNFZCATLQOPLJ-CQSZACIVSA-N 463.007 6.207 50 10 JKGE CN(C(=O)c1ccc(Br)cc1I)[C@H]1CCCCC[C@@H]1Cl 2207272677 PGPMCQRKHJGEKD-JSGCOSHPSA-N 470.576 5.066 50 10 JKGE BrCc1cccc(OC[C@H]2CC2(Br)Br)c1Br 2210246546 UPWGWOPMCVOFHT-MRVPVSSYSA-N 477.816 5.229 50 10 JKGE Cc1sc(Br)c(C)c1[C@@H](Br)Cc1cccc(Br)c1 2218799233 DKEDWYXKZYTONW-LBPRGKRZSA-N 453.037 6.569 50 10 JKGE Cc1cc(C)c([C@@H](Br)c2cc(Br)c(Br)cc2F)s1 2218851917 LGSYUEXNYKCSOI-LBPRGKRZSA-N 457.000 6.513 50 10 JKGE Cc1ccc(I)c([C@H](Br)c2ccc(Cl)cc2Cl)c1 2224051135 YKLHADISEICZNT-CQSZACIVSA-N 455.948 6.391 50 10 JKGE COc1cc(F)cc([C@@H](Br)c2sc(Br)c(C)c2Br)c1 2226031802 CLFPCOYGVDUWME-LLVKDONJSA-N 472.999 6.214 50 10 JKGE Fc1cc(F)c([C@H](Cl)c2cccc(I)c2)c(F)c1Br 2227807957 YZRRIRDZZYDWIE-GFCCVEGCSA-N 461.446 5.799 50 10 JKGE CCOCc1cc(Br)c([C@@H](Cl)c2ccc(F)cc2I)s1 2233010847 WNDNRRBMHNPZMD-ZDUSSCGKSA-N 489.575 6.119 50 10 JKGE Cc1cc(Br)c([C@H](Br)Cc2cccc(Cl)c2)c(C)c1Br 2235604831 PHFDHKLTVGGRRB-CQSZACIVSA-N 481.453 7.161 50 10 JKGE Clc1ccc(I)c(CN2C[C@@H](Br)CC23CCCCC3)c1 2241036097 HJZKDHNKANBYEU-ZDUSSCGKSA-N 468.604 5.617 50 10 JKGE CCc1cc([C@@H](Br)c2cccc(Cl)c2Br)sc1Br 2256129294 LCFVPDDHBUXGAX-LBPRGKRZSA-N 473.455 6.973 50 10 JKGE CC(C)[C@@H](CBr)N(Cc1ccccc1)C(=O)c1cc(Br)c(F)cc1Cl 2258088556 UCNYTOVXTPFBKB-GOSISDBHSA-N 491.626 6.304 50 10 JKGE CO[C@@H]1C[C@]2([C@@H](Br)c3c(F)cc(Br)c(F)c3Br)C[C@@H]12 2272720988 CHYUMLDRNFFZJR-BUHBCEKZSA-N 460.938 5.351 50 10 JKGE C[C@@H]1OC2(C)CC1([C@H](Br)Cc1cc(Br)cc(Br)c1)C2 2277954877 ZJJANWNUAQNSMY-VXWAXNFESA-N 453.012 5.475 50 10 JKGE COc1cc(OC)c([C@H](Cl)c2sccc2I)cc1Br 2278030829 GRKASVLJIYGLRV-LBPRGKRZSA-N 473.557 5.461 50 10 JKGE Cc1cc(Br)c([C@@H](Cl)c2cc(Br)ccc2Br)c(C)c1F 2279140890 CKSUNVFFRKLEQC-AWEZNQCLSA-N 485.416 7.058 50 10 JKGE COc1cc([C@@H](Cl)c2scc(Br)c2Cl)c(OC)cc1Br 2279291818 HSNONNIOGMRFJQ-LLVKDONJSA-N 461.002 6.272 50 10 JKGE COc1ccc([C@@H](Br)c2cccc(Cl)c2Br)c(Cl)c1Cl 2283200463 RMNYNCCKDVYODC-NSHDSACASA-N 459.392 6.902 50 10 JKGE COc1ccc([C@H](Br)[C@H]2CCCC(C)(C)CC2)cc1I 2285011188 QGBHDFLFIYIBFD-BLLLJJGKSA-N 451.186 6.342 50 10 JKGE Cc1cc(C=C(C#N)C(=O)NC2CCCCC2)c(C)n1-c1ccc(I)cc1 2294156084 LPKBHHUKAKLPIY-UHFFFAOYSA-N 473.358 5.055 50 10 JKGE Cc1cc(-n2c(C)cc(C=C(C#N)C(=O)Nc3ccccc3F)c2C)ccc1Br 2294187424 MUKMLENGDHKMHK-UHFFFAOYSA-N 452.327 5.850 50 10 JKGE COc1ccc(NC(=O)C(C#N)=Cc2cc(C)n(-c3cccc(I)c3)c2C)cc1 2294193395 LRICHLZWNMUDQB-UHFFFAOYSA-N 497.336 5.253 50 10 JKGE N#CC(=CNc1ccccc1OC(F)(F)[C@@H](F)Cl)c1nc(-c2ccc3c(c2)OCO3)cs1 2295945632 FPAMCLVBGZTZAX-HXUWFJFHSA-N 479.867 6.021 50 10 JKGE CN(Cc1cc(Cl)ccc1I)[C@H](CBr)c1ccccc1 2296472697 XDVVRCIIPWHYNP-MRXNPFEDSA-N 464.572 5.513 50 10 JKGE COC(=O)c1sccc1NC=C(C#N)C(=O)c1cccc(CSc2ccc(Cl)cc2)c1 2297565473 BBZQBICTNMRBAB-UHFFFAOYSA-N 468.987 6.183 50 10 JKGE Brc1cc(OCc2ccccc2)ccc1[C@H](Br)[C@H]1CCC[C@@H]2C[C@H]12 2299489046 LVDUIPLBSBVHBC-ZWVMGRIOSA-N 450.214 6.900 50 10 JKGE Brc1ccc(OCc2ccccc2)c([C@H](Br)C[C@@H]2CC[C@@H]3C[C@@H]23)c1 2299531489 WNGKYMSEXDDVNQ-YNVMFWSZSA-N 450.214 6.900 50 10 JKGE COc1ccc(C(=O)Oc2ccc(C=C(C#N)C(=O)Nc3ccc(Cl)cc3)cc2OC)cc1 2313631868 XQFUEUWIONOSGR-UHFFFAOYSA-N 462.889 5.122 50 10 JKGE Cc1ccc(NC(=O)C(C#N)=Cc2ccc(OCc3ccc(Br)cc3)cc2)c(C)c1 2313667941 ZEHHMWKPRLCFPO-UHFFFAOYSA-N 461.359 6.191 50 10 JKGE COc1ccc(CNC(=O)C(C#N)=Cc2cc(Br)ccc2OCc2cccc(C)c2)cc1 2313683502 VGUNCLKWIADLEE-UHFFFAOYSA-N 491.385 5.569 50 10 JKGE Fc1ccc([C@H](Br)c2cc(Br)ccc2OCc2ccccc2)cc1Cl 2314449944 UZMGRTYQVIYFGX-FQEVSTJZSA-N 484.590 7.305 50 10 JKGE Cc1cccc(NC(=O)C(C#N)=Cc2ccc(-n3nc(-c4ccccc4)cc3-c3ccccc3)cc2)c1 2314482687 RSGNPYQNJAYCQJ-UHFFFAOYSA-N 480.571 7.060 50 10 JKGE FC(F)(F)[C@@H]1C[C@@H]1C[C@H](Br)c1cc(Br)ccc1OCc1ccccc1 2314492400 WSFPZFKDWVMVKY-XYPHTWIQSA-N 478.146 7.053 50 10 JKGE Brc1cc(OCc2ccccc2)ccc1[C@H](Br)[C@@H]1CC2(CCC2)CO1 2314500028 JDTWEAQHOMKASJ-PMACEKPBSA-N 466.213 6.423 50 10 JKGE N#CC(=Cc1ccc(-c2cc(Cl)cc(Cl)c2)o1)c1nc(-c2ccc3ccccc3c2)cs1 2314572244 WSGSXSLDXBJOCP-UHFFFAOYSA-N 473.384 8.594 50 10 JKGE C[C@H](C[C@H](Br)c1c(Cl)cc(Br)c(F)c1Br)C(F)F 2315461210 RBUVRWXFJXVGAP-UHNVWZDZSA-N 473.352 6.731 50 10 JKGE Clc1cc(Br)c(COc2cccc(Br)c2CBr)s1 2322454159 QJKXIUPBLHDOPH-UHFFFAOYSA-N 475.427 6.400 50 10 JKGE CC[C@H](NC(=O)C(C#N)=CN(c1ccccc1)c1ccc(N)cc1)c1ccc2c(c1)CCCC2 2325092402 KXIKTKCPDOWRBF-NDEPHWFRSA-N 450.586 5.961 50 10 JKGE CC1(C)CC[C@@H](Cc2ccc(I)c(Br)c2)C[C@H]1Br 2325189158 KIBGUNQSROZAQY-SMDDNHRTSA-N 486.029 6.186 50 10 JKGE O=C1C(=Cc2cccc(Br)c2)Oc2cc(OCc3ccc(CCl)cc3)ccc21 2325339467 XBOOHBAQOPNZLX-UHFFFAOYSA-N 455.735 6.383 50 10 JKGE Cc1ccc2nc(-c3ccc(NC(=O)C(C#N)=Cc4cccc(Br)c4)cc3)sc2c1 2329697771 PTGWMTZKTDIIGD-UHFFFAOYSA-N 474.383 6.580 50 10 JKGE CCn1c(C(C#N)=Cc2cc(Br)cc(Br)c2OC)nc2ccccc21 2331071826 OICGYEDZZPGUNO-UHFFFAOYSA-N 461.157 5.654 50 10 JKGE COc1ccc(C=CC(O)=C(C#N)c2nc(-c3cccc(Br)c3)cs2)cc1OC 2331279322 JMHLJLXFYWOGOM-UHFFFAOYSA-N 469.360 6.096 50 10 JKGE COc1cc(C)c(-c2csc(C(C#N)=C(O)[C@H](C)Oc3ccccc3C(C)C)n2)cc1C(C)C 2331354006 XMTBCHVKZSBXNS-IBGZPJMESA-N 476.642 7.634 50 10 JKGE Cc1ccc(OCC(O)=C(C#N)c2nc(-c3ccc(Oc4ccccc4)cc3)cs2)c(C)c1 2331358890 ZLNRDVXYKCDAEY-UHFFFAOYSA-N 454.551 7.091 50 10 JKGE COc1cc(Cl)c(C)cc1-c1csc(C(C#N)=C(O)c2cc(OC)c(OC)c(OC)c2)n1 2331389252 JADLXFNUWIAGKG-UHFFFAOYSA-N 472.950 5.756 50 10 JKGE COc1c(C)cc(Cl)cc1-c1csc(C(C#N)=C(O)CNC(=O)c2ccc(C(C)(C)C)cc2)n1 2331391772 DCGOBZDWWCHFEB-UHFFFAOYSA-N 496.032 6.301 50 10 JKGE Fc1c(Br)cc(Cl)c([C@@H](Br)[C@H]2CCC3(CC3)C2)c1Br 2337094616 RBNGKVZPHUTBRS-CPCISQLKSA-N 475.421 7.020 50 10 JKGE BrCc1cc(Br)cc(Br)c1OCC1CCCCCC1 2339087168 KQEIONLOZMLTQM-UHFFFAOYSA-N 455.028 6.456 50 10 JKGE COc1c(Br)cc(C)c([C@H](Br)[C@@H]2CCC[C@H]2C)c1Br 2339650098 BOOIOTDZGACBFI-ZDSQKVDBSA-N 455.028 6.401 50 10 JKGE COc1c(Br)cc(C)c([C@@H](Br)C2CC(OC)C2)c1Br 2339655387 YIIOTEHKQZBJGJ-KWPJZBAWSA-N 457.000 5.390 50 10 JKGE CCCCc1ccc([C@@H](Br)c2ccc(Cl)cc2I)s1 2340067186 ZCGGXQDKXZUUNK-HNNXBMFYSA-N 469.613 6.833 50 10 JKGE CC(C)(C)C1CC(CBr)(Cc2ccc(Cl)cc2I)C1 2341030124 MWJCQBSVJIIBSY-UHFFFAOYSA-N 455.605 6.325 50 10 JKGE Cc1c(Br)sc([C@H](Br)c2cccc(C(C)C)c2)c1Br 2343658647 ZVYNGTOJTXIRIV-CYBMUJFWSA-N 467.064 7.189 50 10 JKGE CC12CC([C@H](Br)c3ccc(OCc4ccccc4)cc3Br)(C1)C1(CCC1)O2 2361213939 IFCUCGGQJGXLKV-ITAUSPCMSA-N 492.251 6.956 50 10 JKGE CCO[C@@H]1CC[C@H]([C@H](Br)c2c(Cl)cc(Br)c(F)c2Br)C1 2362235578 MWANPZPBUKZPBS-SXMVTHIZSA-N 493.436 6.645 50 10 JKGE COc1c(Br)cc(C)c([C@H](Br)c2ccccc2Cl)c1Br 2365183592 KAACXADJLYOBIL-CYBMUJFWSA-N 483.425 6.666 50 10 JKGE COc1ccnc(OCc2c(Br)cccc2Br)c1CBr 2366217146 RFBZWCQZPBVYPW-UHFFFAOYSA-N 465.967 5.089 50 10 JKGE Clc1ccc(CN2[C@H](CBr)C[C@@H]3CCCC[C@@H]32)c(I)c1 2366725541 SKRRFQLARJBFGB-PJODQICGSA-N 468.604 5.473 50 10 JKGE FC1(F)CC2(C1)CC(CCl)(Cc1ccc(I)c(Br)c1)C2 2377330777 GUDOPZGFEFQRGO-UHFFFAOYSA-N 475.542 6.031 50 10 JKGE O=C(NC1CCCCC1)[C@H](c1ccc(F)cc1)N(CCc1ccccc1Cl)C(=O)CCl 3038344 RTODFYNQFHDALX-QHCPKHFHSA-N 465.396 5.279 50 10 JKGE CCCCCCOc1ccc(C(=O)NNC(=O)[C@@H](CC)Oc2ccccc2[C@@H](C)CC)cc1 10683837 YQVKACHMXHSXHW-GBXCKJPGSA-N 454.611 5.778 50 10 JKGE C=CCOc1ccccc1C(=O)NNC(=O)c1ccc(OCCCCCC)c(Br)c1 14640810 NFLBJLGMHKBRBM-UHFFFAOYSA-N 475.383 5.048 50 10 JKGE Cc1c(Cl)cccc1N/C(SCc1cccc(F)c1)=C(/C#N)S(=O)(=O)c1ccccc1 20325491 KFWNOQYSISZXIZ-GHVJWSGMSA-N 472.994 6.299 50 10 JKGE Cc1cc([C@H]2C(C#N)=C(N)N(c3ccc(Cl)c([N+](=O)[O-])c3)C3=C2C(=O)CCC3)c(C)s1 27550455 KJVQAXSECIIQTF-FQEVSTJZSA-N 454.939 5.231 50 10 JKGE CCSc1ccsc1[C@@H]1C(C#N)=C(N)N(c2cc([N+](=O)[O-])ccc2C)C2=C1C(=O)CC(C)(C)C2 27550599 DOYXPGHKLWYWAT-OAQYLSRUSA-N 494.642 6.018 50 10 JKGE CCCCN(CC(=O)N1c2ccccc2-n2cccc2[C@@H]1c1ccc(F)cc1)C(=O)C(C)(C)CCl 35707041 IUSZOBUBTJZUFH-SANMLTNESA-N 496.026 5.946 50 10 JKGE C=CCOc1ccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)COc4ccc(C)c(C)c4)ccc32)cc1 38658203 QIUQKMIVDHJHOU-NDEPHWFRSA-N 482.536 5.071 50 10 JKGE CCc1ccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)COc4cc(C)cc(C)c4)ccc32)cc1 38677401 RNTHOWUZTNILDZ-HHHXNRCGSA-N 454.526 5.068 50 10 JKGE COc1c(Cl)cc(C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@H]3c2ccc(C)o2)cc1Cl 38688678 CUSLRSQZXWUMOL-FQEVSTJZSA-N 471.296 5.341 50 10 JKGE N#C/C(=C\c1ccc2noc(-c3ccc(Cl)cc3)c2c1)c1nc(-c2cccc([N+](=O)[O-])c2)cs1 39885067 DUIATXQFRMAFRD-VCHYOVAHSA-N 484.924 7.244 50 10 JKGE Cc1cc(C)c2c(CC(=O)N/N=C3\CCCc4oc(C(=O)N5CCC(C)CC5)c(C)c43)coc2c1 40826831 NKBZSVIJTWXFLT-XHLNEMQHSA-N 475.589 5.222 50 10 JKGE CCOc1ccc([C@@H](O)CCC(=O)N/N=C/c2ccc(-c3ccc(C)cc3Br)o2)cc1 58892782 DAVGVOSZHGLRMC-WGLQLPMYSA-N 485.378 5.380 50 10 JKGE Cc1ccc(-n2c(CCl)nc3cc(I)ccc32)c(Br)c1 97353986 XMJFWUWKHTWOCW-UHFFFAOYSA-N 461.528 5.440 50 10 JKGE O=C(NC1CCCC1)[C@@H](c1ccc(Cl)cc1)N(CCc1ccc(Cl)cc1)C(=O)CCl 97915039 KRMWBCIRMGNKFT-JOCHJYFZSA-N 467.824 5.403 50 10 JKGE COc1cc2c(cc1N/C=C(/C#N)c1nc(-c3ccc4c(c3)OCO4)cs1)oc1ccccc12 102418338 PBIJWBIEDUGHHU-VBKFSLOCSA-N 467.506 6.423 50 10 JKGE CCCCCCCCCCOc1ccc(C(=O)N/N=C/c2ccc(N(C)c3ccccc3)cc2)cc1 103731837 XXTUSMKABIVRPR-WGPBWIAQSA-N 485.672 7.738 50 10 JKGE COc1c(Br)cc(Cl)cc1[C@@H](Br)c1ccc(Br)cc1 109836135 OUNBJTJDBLVZBC-ZDUSSCGKSA-N 469.398 6.358 50 10 JKGE CCOc1ccc(Br)cc1[C@@H](Br)c1cc(C)c(Br)s1 126052984 KLWLSOPHWMVBRJ-CYBMUJFWSA-N 469.036 6.465 50 10 JKGE CCOc1ccc(/C=C\C(=O)NNC(=O)c2ccc(NC(=O)c3ccc(C(C)(C)C)cc3)cc2)cc1 206808569 UGUSIQIPCLIHJP-UWVJOHFNSA-N 485.584 5.110 50 10 JKGE C[C@]12CC3CC([C@@H](Cl)c4cc(Br)c(Br)s4)(C1)C[C@](C)(C3)C2 226732639 NUZMLQQZRFFLHM-MFSVOEKMSA-N 452.683 7.550 50 10 JKGE O=C(Nc1ccc(CCBr)cc1)c1cc(Br)sc1Br 232464557 BBNQGKDSZYZPME-UHFFFAOYSA-N 468.008 5.463 50 10 JKGE COc1ccc([C@@H](Br)c2cc(Br)sc2Br)c(C)c1 234972144 CMONVBPSYWZOFK-GFCCVEGCSA-N 455.009 6.074 50 10 JKGE Cc1cc(C)c([C@@H](Br)c2cc(I)ccc2Br)s1 235862543 POSBAYITJULBEP-LBPRGKRZSA-N 486.010 6.216 50 10 JKGE Clc1ccc(Br)cc1Oc1ccc(Br)cc1CBr 236035612 BXBINSSNQBKSQZ-UHFFFAOYSA-N 455.371 6.552 50 10 JKGE Clc1ccc(Oc2ccc(CBr)cc2Br)c(Br)c1 236047880 OESOEVMFQBPVRJ-UHFFFAOYSA-N 455.371 6.552 50 10 JKGE COc1cccc(CN(C(=O)CCl)[C@H](C(=O)N[C@H]2CCCC[C@H]2C)c2ccccc2Cl)c1 252586346 PHUKFUBRFYSRPA-UWSIMGETSA-N 477.432 5.352 50 10 JKGE CC[C@@H](C)c1ccc(-c2cc(C(=O)NN=Cc3cc4c(cc3Cl)OCO4)c3ccccc3n2)cc1 252599432 DIWKQURDNYCEOW-QGZVFWFLSA-N 485.971 6.561 50 10 JKGE Cc1ccc(-c2nn(-c3ccccc3)cc2C=NNC(=O)[C@H](C)Oc2cccc3cccnc23)cc1 252599476 DJSJUNHMSSLRND-NRFANRHFSA-N 475.552 5.314 50 10 JKGE CC(=NNC(=O)c1ccc(COc2cccc3cccnc23)cc1)c1ccccc1C(F)(F)F 254770409 CLOADBZZFANRIG-UHFFFAOYSA-N 463.459 5.987 50 10 JKGE COc1cc(C=NNC(=O)[C@H](C)Oc2cccc(C)c2)ccc1OCc1ccccc1Cl 256018611 VFXQHHDHCMOXLF-SFHVURJKSA-N 452.938 5.154 50 10 JKGE CCCCCC[C@@H](CC1(CCCCCC[C@@H](C)B(O)O)c2ccccc2-c2ccccc21)B(O)O 256078362 DMMCBMQLLUBNLM-RPWUZVMVSA-N 478.291 6.360 50 10 JKGE Brc1cccc([C@@H](Br)c2cc(I)cc3c2OCC3)c1 311531325 GZGSACUILYMKSS-CQSZACIVSA-N 493.964 5.473 50 10 JKGE Cc1ccc(Br)cc1C[C@H](CBr)Cc1cccc(Br)c1 313716266 QPEZRPWCPYHJCO-CQSZACIVSA-N 461.035 6.316 50 10 JKGE Cc1cc(Br)c([C@@H](Br)c2ccc3sccc3c2)cc1Br 386370634 YMQRKCXCOBFIIU-INIZCTEOSA-N 475.043 7.219 50 10 JKGE BrCC(CBr)(CC1CCCCC1)c1cccc(Br)c1 387054257 XXKJHMLUILUSTN-UHFFFAOYSA-N 453.056 6.447 50 10 JKGE C[C@H](Cl)c1nc2cc(F)c(Cl)cc2n1CCCN(Cc1ccccc1)Cc1ccccc1 390494972 QVZWIIADDFOEMI-IBGZPJMESA-N 470.419 7.221 50 10 JKGE Fc1ccc([C@@H](Br)c2c(F)c(F)cc(F)c2F)c(I)c1 395967136 FEZNOFCFIQTOPO-LLVKDONJSA-N 462.981 5.471 50 10 JKGE CCO[C@@H]1CCC[C@H](O[C@@H](CI)c2ccc(Br)cc2)C1 721638147 CKLAVCIKQWNKGZ-PMPSAXMXSA-N 453.158 5.290 50 10 JKGE O=C(NN=Cc1ccccc1C(F)(F)F)c1ccc(OCc2ccc(Br)cc2)cc1 1083885919 VWDAJFORUPSMAA-UHFFFAOYSA-N 477.280 5.811 50 10 JKGE CCOc1ccc([C@H](O)CCC(=O)NN=Cc2ccccc2OCc2ccc3ccccc3c2)cc1 1083914252 FFTRXNCCRLRZNW-MUUNZHRXSA-N 482.580 5.781 50 10 JKGE Cc1ccc(-n2c(C)cc(C=NNC(=O)c3cc4cc(Br)ccc4o3)c2C)c(C)c1 1083954565 VOXZLFKGAIEWCS-UHFFFAOYSA-N 464.363 5.984 50 10 JKGE Cc1ccc(NC(=O)COc2ccc(C=NNC(=O)C(c3ccccc3)c3ccccc3)cc2)cc1 1083988378 JSUWWXOYBQQUGC-UHFFFAOYSA-N 477.564 5.295 50 10 JKGE COc1cc(NC(=O)/C(C#N)=C\c2ccc(-c3ccc(Br)c(C)c3)o2)ccc1Cl 1084339671 WSVAOPFBRMXZIS-GDNBJRDFSA-N 471.738 6.225 50 10 JKGE O=C(CC[C@H](O)c1ccccc1)NN=Cc1cn(Cc2ccc(Cl)cc2Cl)c2ccccc12 1084492022 CRPBYGJQPPFVNY-VWLOTQADSA-N 480.395 5.960 50 10 JKGE O=C(CCl)N[C@H](Oc1c(Cl)c(Cl)c(Cl)c(Cl)c1Cl)C(Cl)(Cl)Cl 1614375913 HCTRNENETKSYJK-SECBINFHSA-N 489.224 6.384 50 10 JKGE COc1cc(C=NNC(=O)COc2ccc(C)cc2C(C)(C)C)ccc1OCc1ccc(Cl)cc1 1772752876 QJMJRUFPDKDAKP-UHFFFAOYSA-N 495.019 6.063 50 10 JKGE N#CSc1ccc(NC(=O)Nc2ncccc2OCC(=O)c2ccc(-c3ccccc3)cc2)cc1 1858860472 KCIGECRJFHRHJA-UHFFFAOYSA-N 480.549 6.227 50 10 JKGE CCCCCOc1ccc([C@@H]2C(C#N)=C(N)Oc3c2c(C)nn3Cc2cccc(F)c2)cc1OCC 1865691410 RAUMPPSBQROUBH-AREMUKBSSA-N 490.579 5.565 50 10 JKGE CCCOc1ccc([C@H]2C(C#N)=C(N)Oc3c2c(CC)nn3-c2ccc(Br)cc2)cc1 1865694293 SPARBRAIVUZXRA-NRFANRHFSA-N 479.378 5.204 50 10 JKGE Cn1cc([C@H]2C(C#N)=C(N)Oc3c2c(C(F)(F)F)nn3-c2cccc3ccccc23)c2ccccc21 1865699044 JNCLUYSHQJFZHL-JOCHJYFZSA-N 485.469 5.754 50 10 JKGE CCN(CC)c1ccc([C@@H]2C(C#N)=C(N)Oc3c2c(C(F)(F)F)nn3Cc2cc(C)ccc2C)cc1 1865702634 XYIHZUDMFGWJOH-JOCHJYFZSA-N 495.549 5.631 50 10 JKGE CCc1nn(CC(C)C)c2c1[C@@H](c1ccccc1OCc1ccccc1Cl)C(C#N)=C(N)O2 1865703003 KMAAZCWAGIKPRD-QHCPKHFHSA-N 462.981 5.552 50 10 JKGE COc1ccc([C@H]2C(C#N)=C(N)Oc3c2c(-c2ccccc2)nn3Cc2cc(C)ccc2C)c(OC)c1 1865708165 PPPNLNDDQMOMLO-SANMLTNESA-N 492.579 5.451 50 10 JKGE COC(=O)c1ccc([C@H]2C(C#N)=C(N)Oc3c2c(-c2ccccc2)nn3Cc2ccc(Cl)cc2)cc1 1865709201 QZERPMSTTYJVTP-QHCPKHFHSA-N 496.954 5.257 50 10 JKGE N#CC1=C(N)Oc2c(c(C(F)(F)F)nn2Cc2cccc(F)c2)[C@@H]1c1ccc(Br)cc1 1865714319 HCYAYKSPCRPVCN-MRXNPFEDSA-N 493.258 5.070 50 10 JKGE CCCc1nn(Cc2cccc(Cl)c2)c2c1[C@@H](c1ccc(Br)cc1)C(C#N)=C(N)O2 1865714462 LCZAZEMDZJVQQI-FQEVSTJZSA-N 483.797 5.518 50 10 JKGE Cc1oc2cc(OC(=O)C(Cl)Cl)ccc2c(=O)c1Oc1ccccc1Br 1871385222 HNELARKTEOSXEQ-UHFFFAOYSA-N 458.091 5.365 50 10 JKGE CCOc1ccc(-c2csc(/C(C#N)=C(\O)[C@@H]([C@H](C)CC)N3C(=O)c4ccccc4C3=O)n2)cc1 1872747553 IEWKNCSPNGVSNK-SFEBSOCUSA-N 487.581 5.712 50 10 JKGE Cc1ccc(-c2csc(/C(C#N)=C(\O)CCCOc3ccc(Br)cc3Cl)n2)cc1 1872749373 OKYNJURCFXFQBS-JZJYNLBNSA-N 489.822 7.186 50 10 JKGE N#C/C(=C(/O)c1cc([N+](=O)[O-])ccc1Cl)c1nc(-c2ccc(Cl)c(Cl)c2)cs1 1872749434 REBOVMZIZIJCPA-ATVHPVEESA-N 452.706 6.628 50 10 JKGE CCCOc1ccc(-c2csc(/C(C#N)=C(\O)[C@H](C)N3C(=O)c4ccccc4C3=O)n2)cc1 1872749601 ZAFWALOMSZDSPJ-FOVZNYCQSA-N 459.527 5.076 50 10 JKGE CC(C)CN1C(=O)c2ccc(/C(O)=C(\C#N)c3nc(-c4cc(Cl)ccc4Cl)cs3)cc2C1=O 1872757895 AZCMWJSXMTXWOZ-UZYVYHOESA-N 498.391 6.319 50 10 JKGE CCOc1cc(/C=C(\C#N)c2nc(-c3ccc(C(C)C)cc3)cs2)ccc1OCc1ccccc1C 1872791213 BVNMWPJYZHTAQD-JVWAILMASA-N 494.660 8.284 50 10 JKGE CCOc1c(/C=C(\C#N)c2nc(-c3ccc(Oc4ccccc4)cc3)cs2)cccc1OC 1872793315 TXFQICPUKVYPQI-LTGZKZEYSA-N 454.551 7.074 50 10 JKGE C[C@H](CCl)N(Cc1ccccc1)c1ncc(I)cc1Br 1882958943 SGPKEGQFNJQDFI-LLVKDONJSA-N 465.560 5.083 50 10 JKGE C[C@@H](CBr)N(Cc1ccccc1)C(=O)c1c(Br)cccc1Br 1914231262 ABICHLGIYHXYHF-LBPRGKRZSA-N 490.033 5.637 50 10 JKGE COc1cc(Br)c(C)cc1[C@@H](Br)c1cc(C)c(Br)o1 1917616768 ICGROVKFAHKVQU-CYBMUJFWSA-N 452.968 5.914 50 10 JKGE COc1cc(Br)ccc1[C@@H](Cl)c1sc(Br)cc1Br 1922953224 ATROEWLNGHUWET-LLVKDONJSA-N 475.427 6.372 50 10 JKGE C[C@@H](c1ccncc1Br)[C@@H](Br)c1ccccc1OCc1ccccc1 1924048038 RIFXSXJSJIXWNF-YCRPNKLZSA-N 461.197 6.663 50 10 JKGE Cc1cc(Br)sc1[C@H](Cl)c1cc(Br)ccc1Br 1950209202 ZIWJZPMMDPXQBL-LLVKDONJSA-N 459.428 6.672 50 10 JKGE C[C@@H]1C[C@@H](C[C@@H](Br)c2c(Br)sc(Br)c2Cl)CO1 1997172516 DHMOCJRRXSDJDO-DSYKOEDSSA-N 467.448 6.178 50 10 JKGE COCc1cc(Br)c([C@H](Br)c2cc(Br)cs2)s1 2004904477 KLVPXQROOZHBGO-SNVBAGLBSA-N 461.038 5.965 50 10 JKGE FC(F)([C@@H]1CCOC1)[C@@H](Br)c1cc(Br)c(Br)s1 2012976947 IOLDCIDKORFJGH-XRGYYRRGSA-N 454.956 5.381 50 10 JKGE C[C@]1([C@@H](Br)c2c(Br)sc(Br)c2Cl)CCCCO1 2021893498 LVMKDSUCCIFCGQ-GZMMTYOYSA-N 467.448 6.322 50 10 JKGE C[C@H](CCCCCI)NCc1ccc(Br)cc1Br 2054169665 GPTQRQDGVRJMRQ-LLVKDONJSA-N 489.033 5.685 50 10 JKGE CC1(C)[C@@H](Br)CCCN1C(=O)c1scc(Br)c1Br 2076218161 UHGKBGBKZIIXET-QMMMGPOBSA-N 460.029 5.051 50 10 JKGE COc1c(Cl)cc(Br)cc1[C@H](Br)c1nscc1Br 2082862441 ZASBEKPLIZBMHA-VIFPVBQESA-N 476.415 5.814 50 10 JKGE CCN(C[C@](C)(CI)O[C@@H]1CCCC(F)(F)CC1)C(=O)OC(C)(C)C 2085964443 VZRAMIZGCKMYCF-PBHICJAKSA-N 475.358 5.422 50 10 JKGE Cc1cc([C@@H](Br)c2c(Cl)sc(Cl)c2Cl)ccc1I 2086022101 DZDJBAXATOBPIY-SECBINFHSA-N 496.422 7.106 50 10 JKGE CCCOc1ccc([C@@H](Br)c2sncc2Br)cc1Br 2088927817 RTEKRAYXJFRYDD-GFCCVEGCSA-N 470.024 5.941 50 10 JKGE CCC[C@@H](CCBr)CNC(=O)c1c(Br)cccc1Br 2094089600 YHRPGNLUKMBQMW-JTQLQIEISA-N 456.016 5.143 50 10 JKGE CC1(C)CCO[C@H]1COc1c(Br)cc(Br)cc1CBr 2097981729 BGCVGDSBTLKKRF-LBPRGKRZSA-N 457.000 5.300 50 10 JKGE BrCc1cc(Br)cc(Br)c1OCC1CC2(CCC2)C1 2099408230 WHGBRQDJSCVXMM-UHFFFAOYSA-N 453.012 6.066 50 10 JKGE C[C@]1(CBr)CC(F)(F)CN1Cc1ccc(Br)cc1Br 2102794958 NBIOJGJPYLTMFA-GFCCVEGCSA-N 461.970 5.206 50 10 JKGE C[C@H](Cl)c1nc2cc(Br)c(Cl)cc2n1C[C@@H](C)N(C)Cc1ccccc1 2103815295 LZTLFOWXJUELOW-KGLIPLIRSA-N 455.227 6.273 50 10 JKGE BrC[C@@H]1CC2(CCC2)CN1Cc1cc(Br)ccc1Br 2118530410 FPAOEWGSGZTSSL-ZDUSSCGKSA-N 452.028 5.351 50 10 JKGE O=C(c1c(Br)cccc1Br)N1CCC[C@H](CCBr)CC1 2150504449 WTENYKQRAREZNP-LLVKDONJSA-N 468.027 5.239 50 10 JKGE CC1(C)C[C@H](n2c(CCl)nc3cc(F)c(Br)cc32)[C@H]1OCc1ccccc1 2156378068 SRTVETWZJNGBQQ-AZUAARDMSA-N 451.767 6.233 50 10 JKGE Cc1csc([C@@H](Br)c2cc(Br)c3c(c2)C[C@H](C)O3)c1Br 2157027345 YFHRGYBWQBCBIL-SDBXPKJASA-N 481.047 6.389 50 10 JKGE CC1=CC(C)(C)Nc2c(C(=O)N/N=C3/C(=O)N4c5c(cc(C)cc53)C(C)=CC4(C)C)cc(C)cc21 2185889228 KSVWFJFMWXCEJS-QFMPWRQOSA-N 468.601 5.587 50 10 JKGE Clc1ccc(I)c(CN2C[C@H]3CCC[C@@](CBr)(C3)C2)c1 2199680607 SHQZFHLEBVGCQP-LRDDRELGSA-N 468.604 5.332 50 10 JKGE Cc1ccc(C[C@H](Br)c2c(C)c(Br)cc(C)c2Br)cc1 2201073615 NGHGJQKSFDKNBW-HNNXBMFYSA-N 461.035 6.816 50 10 JKGE Cc1ccc([C@@H](Cl)c2c(C)c(Br)cc(C)c2Br)cc1Br 2201079508 STPBLUHWAFMXRP-MRXNPFEDSA-N 481.453 7.228 50 10 JKGE Cc1c(Br)ccc([C@H](Br)C2(c3ccccc3)CC2)c1Br 2203684746 HYYFEDZRYBIJJQ-INIZCTEOSA-N 459.019 6.688 50 10 JKGE Cc1c(Br)sc([C@H](Br)c2c(Cl)cccc2Br)c1C 2218785276 NWPJHBRPKAIZET-LLVKDONJSA-N 473.455 7.028 50 10 JKGE C[C@@H]1CN(Cc2ccccc2)C[C@H]1n1c(CCl)nc2cc(Br)c(Br)cc21 2225702977 UCMHCYIXYHFCSR-BFUOFWGJSA-N 497.662 5.993 50 10 JKGE Cc1cc(Br)c(CBr)c(N2[C@H]3CCC[C@@H]2CN(Cc2ccccc2)C3)c1 2226319501 ZCZWEYJQXHWMAX-KDURUIRLSA-N 478.272 5.896 50 10 JKGE Cc1cc(Br)c([C@@H](Br)c2csc(C)c2C)c(C)c1Br 2227356803 SOVQEBWAWJYZPP-HNNXBMFYSA-N 467.064 6.991 50 10 JKGE Cc1cc(Br)c([C@H](Br)[C@H]2CC[C@H]3C[C@H]2CO3)c(C)c1Br 2235615499 RYQRKHWWAJFUJX-CENBSLRLSA-N 467.039 6.080 50 10 JKGE Fc1cc([C@@H](Br)c2cc(Cl)c(Br)cc2F)c(F)cc1Br 2282098794 YFXOZAHAGYXEBA-ZDUSSCGKSA-N 493.342 6.767 50 10 JKGE Fc1cccc(I)c1[C@H](Br)c1ccc([C@H]2CCOC2)s1 2282888795 QASPIGRMLQTJHL-BJOHPYRUSA-N 467.141 5.480 50 10 JKGE COc1ccc([C@H](Br)c2cc(Br)ccc2F)c(Br)c1Cl 2283559165 FHGQLJAHGNNLEQ-LBPRGKRZSA-N 487.388 6.497 50 10 JKGE COCCOc1ccc([C@@H](Br)c2cocc2Br)cc1Br 2285993313 IZOHYVURZLWSJG-CQSZACIVSA-N 468.967 5.314 50 10 JKGE Fc1ccc([C@H](Br)c2c(F)cc(Br)c(F)c2Br)c(F)c1 2288372678 AQZOJXXUKPAGHO-NSHDSACASA-N 476.887 6.252 50 10 JKGE Fc1cc(Br)c(F)c(Br)c1[C@H](Br)[C@@H]1C[C@@H]2CCCC[C@@H]21 2288372913 CPOXEMXQOLJSKE-NMSKTSORSA-N 472.993 6.752 50 10 JKGE Cc1c(Br)ccc([C@H](Br)[C@@]23CC[C@@](CF)(C2)OC3)c1Br 2290448495 LMGYAWUQZFRUID-KKUMJFAQSA-N 471.002 5.865 50 10 JKGE N#CC(=Cc1ccc(OCc2cccc(C(=O)O)c2)cc1)C(=O)Nc1cccc(Br)c1 2294187480 UZLKZDBBLQFYJA-UHFFFAOYSA-N 477.314 5.272 50 10 JKGE Brc1cc(Br)cc(C[C@H](Br)c2ccc(C3CCC3)s2)c1 2295278980 JCKRKEYNRXNVCM-AWEZNQCLSA-N 479.075 7.219 50 10 JKGE CCOC(=O)c1c(NC=C(C#N)c2nc(-c3cccc4ccccc34)cs2)sc2c1CCCC2 2296025095 KQDPDNDXPXGFMR-UHFFFAOYSA-N 485.634 7.057 50 10 JKGE Cc1ccc(N2C(=O)[C@H](Cc3ccc(Cl)cc3)SC2=C(C#N)C(=O)Nc2ccc(F)cc2)cc1 2296634659 WYVSQOYOLDKFOH-QHCPKHFHSA-N 491.975 5.853 50 10 JKGE CCOc1ccc(-c2nn(-c3ccccc3)cc2C=C(C#N)C(=O)Nc2ccccc2Cl)cc1C 2296720341 SUZBXQYVCKAWKU-UHFFFAOYSA-N 482.971 6.446 50 10 JKGE COc1c(Cl)cc(Cl)cc1C=C(C#N)c1nc(-c2cc3ccccc3oc2=O)cs1 2297449590 ATZNCEYXTOKXCR-UHFFFAOYSA-N 455.322 6.296 50 10 JKGE CC(C)(C)[C@H]1CC(=Cc2ccc(Cl)cc2)C2=C(C1)[C@@H](c1ccc(Cl)cc1)C(C#N)=C(N)O2 2297504901 PKPNCDBPQDISDP-YADARESESA-N 465.424 7.595 50 10 JKGE Clc1c(Br)sc(Br)c1[C@H](Br)[C@@H]1C[C@@H]2CC[C@H]1C2 2298421300 IJMYBYSSDMQSNN-JVZYCSMKSA-N 463.460 6.799 50 10 JKGE Brc1ccc(OCc2ccccc2)c([C@H](Br)[C@@H]2[C@H]3COCC[C@H]32)c1 2299489693 RNMSNLQXHRHQLT-LQJIQPLVSA-N 452.186 5.747 50 10 JKGE Cl[C@@H](c1cccc(Br)c1)c1cc(Br)ccc1OCc1ccccc1 2299497701 RWVUUSRZRXQEEQ-FQEVSTJZSA-N 466.600 7.119 50 10 JKGE Brc1cc(OCc2ccccc2)ccc1[C@H](Br)[C@]12CCCC[C@@H]1C2 2299505276 VNOTUPLPLGJDTG-CZAAIQMYSA-N 450.214 7.044 50 10 JKGE Brc1cc(OCc2ccccc2)ccc1[C@H](Br)[C@@H]1CC[C@@H]2C[C@@H]2C1 2299505450 WZPIXJDMMSXCQK-BZLDKRAPSA-N 450.214 6.900 50 10 JKGE Cn1cc(Br)c([C@@H](Cl)c2cc(Br)ccc2OCc2ccccc2)n1 2299535079 LBXNWVZSZNZYPC-KRWDZBQOSA-N 470.592 5.852 50 10 JKGE CC1([C@@H](Br)c2ccc(OCc3ccccc3)cc2Br)CC(F)(F)C1 2299536152 WVQXYHSDURZNJY-KRWDZBQOSA-N 460.156 6.900 50 10 JKGE Fc1c(Br)cc(Cl)c([C@H](Br)[C@H]2CCCO2)c1Br 2300168968 RKWVAZDCCJTXJW-VXNVDRBHSA-N 451.355 5.619 50 10 JKGE Cc1cc(Br)ccc1[C@H](Cl)c1sc(Cl)cc1I 2300955424 MCNHUBLGUJZSSK-NSHDSACASA-N 461.977 6.405 50 10 JKGE Cc1scc([C@@H](Cl)c2c(Br)sc(Br)c2Cl)c1Br 2303644205 OXDPBHVVMKIYAW-SSDOTTSWSA-N 499.902 7.387 50 10 JKGE CCN(C[C@](C)(CI)OC(CC1CC1)CC1CC1)C(=O)OC(C)(C)C 2313525758 ZYIXVZRLSSBNMT-FQEVSTJZSA-N 465.416 5.423 50 10 JKGE COc1cc(C=C(C#N)C(=O)Nc2cccc(C(F)(F)F)c2)ccc1OCc1ccccc1F 2313676674 QUHWBBGZEKDFQW-UHFFFAOYSA-N 470.422 5.978 50 10 JKGE CC(C)c1ccc(N2C(=O)[C@@H](Cc3ccc(F)cc3)SC2=C(C#N)C(=O)Nc2ccccc2)cc1 2314593500 OBGRWJYZXCJEBV-RUZDIDTESA-N 485.584 6.014 50 10 JKGE Clc1cc(I)c([C@H](Br)Cc2ccc(Cl)c(Cl)c2)s1 2316599585 SLHARPMQLVLLJC-SSDOTTSWSA-N 496.422 6.992 50 10 JKGE Clc1ccc([C@H](Cl)Cc2cccc(Br)c2)c(I)c1 2317770257 DVTCMNLBELCEHY-CYBMUJFWSA-N 455.948 6.230 50 10 JKGE Cc1ccc(SCCCC(=O)NNC(=O)C=Cc2cccc(OCc3ccccc3)c2)cc1 2321068513 IDWKHIRPNCUNSM-UHFFFAOYSA-N 460.599 5.307 50 10 JKGE Clc1cc(Br)c(C[C@@H](CBr)c2ccccc2Br)s1 2322540843 NARDFIFRQZMYJB-QMMMGPOBSA-N 473.455 6.648 50 10 JKGE CC[C@@H](NC(=O)C(C#N)=CN(c1ccccc1)c1ccc(N)cc1)c1ccc2c(c1)CCCC2 2325092401 KXIKTKCPDOWRBF-MUUNZHRXSA-N 450.586 5.961 50 10 JKGE CCOC(=O)c1ccc(CNC=C(C#N)C(=O)Nc2ccccc2Sc2ccccc2)cc1 2325339656 AWWWICRXJAEKSG-UHFFFAOYSA-N 457.555 5.150 50 10 JKGE CC(C)(C)N1C(=O)c2ccc(C(O)=C(C#N)c3nc(-c4ccc(Cl)cc4)cs3)cc2C1=O 2331295943 XPDNXIQCLKTWOY-UHFFFAOYSA-N 463.946 5.808 50 10 JKGE COc1ccc(C)cc1-c1csc(C(C#N)=C(O)[C@H](C(C)C)N2C(=O)c3ccccc3C2=O)n1 2331322876 BJCJFIMSUUDTPJ-QFIPXVFZSA-N 473.554 5.241 50 10 JKGE CSCC[C@@H](C(O)=C(C#N)c1nc(-c2ccc(F)cc2)cs1)N1C(=O)c2ccccc2C1=O 2331344318 FKDMZNKUDMXLSC-FQEVSTJZSA-N 479.558 5.160 50 10 JKGE CCCCCCCOc1ccc(-c2csc(C(C#N)=C(O)Cc3ccc(F)cc3F)n2)cc1 2331344852 SLOARMGTVJOARZ-UHFFFAOYSA-N 468.569 7.473 50 10 JKGE N#CC(=C(O)C(c1ccccc1)c1ccccc1)c1nc(-c2ccc(Oc3ccccc3)cc2)cs1 2331358889 ZAYGFAVNGLOKGL-UHFFFAOYSA-N 486.596 8.227 50 10 JKGE COc1ccc(-c2csc(C(C#N)=C(O)c3ccc4c(c3)C(=O)N(C(C)(C)C)C4=O)n2)c(C)c1C 2331361315 HTGGBNQPZKOMKW-UHFFFAOYSA-N 487.581 5.780 50 10 JKGE CCc1cccc(C)c1N1C[C@@H](C(O)=C(C#N)c2nc(-c3ccc(OC)cc3OC)cs2)CC1=O 2331385529 LVIZUODANTUZLN-SFHVURJKSA-N 489.597 5.544 50 10 JKGE CCOc1ccc(-c2csc(C(C#N)=C(O)[C@@H]3CC(=O)N(Cc4ccccc4)C3)n2)c(OCC)c1 2331386653 XBLRVYDELOSTEC-LJQANCHMSA-N 489.597 5.449 50 10 JKGE COc1cc(C)c(-c2csc(C(C#N)=C(O)C=Cc3ccc(OCc4ccccc4)cc3)n2)cc1C 2331403032 UBETUAGYEQHFMT-UHFFFAOYSA-N 494.616 7.521 50 10 JKGE Fc1cc(Cl)c(Br)c(Cl)c1[C@@H](Br)c1cccc(Br)c1 2335288775 IRSJCHLDLLZLMV-NSHDSACASA-N 491.807 7.142 50 10 JKGE Cn1nc(Br)c(Br)c1[C@@H](Br)c1cc(Cl)c(F)cc1Cl 2338866957 IKUCLEHDQUATTE-QMMMGPOBSA-N 495.799 5.875 50 10 JKGE Cc1cc(Br)c(F)c(Br)c1[C@H](Br)CC[C@@H]1CC1(C)C 2339682180 PQNRIKOTDLCIEM-NXEZZACHSA-N 457.019 6.921 50 10 JKGE CN(CC[C@H](Br)c1cccs1)C(=O)c1csc(I)c1 2340628671 HEAASPHBASJTLK-JTQLQIEISA-N 470.195 5.013 50 10 JKGE CCC[C@@H]1CC[C@H](Br)[C@@H](Cc2ccc(Cl)cc2I)C1 2341046897 GFGIJDYVMCLVNL-KYOSRNDESA-N 455.605 6.467 50 10 JKGE CC(C)CCOCC[C@@H](Cl)Cc1ccc(I)c(Br)c1 2349780692 HTHMZWCNJOHFOZ-CYBMUJFWSA-N 459.593 5.656 50 10 JKGE O=C(c1csc(Br)c1Br)N1CC[C@H](Cl)C[C@@H]1C(F)(F)F 2361444165 KDVKUKWXGUKBKN-CAHLUQPWSA-N 455.521 5.047 50 10 JKGE CCC[C@H](CBr)CN1CC[C@H](CCNC(=O)OC(C)(C)C)C[C@@H]1C(F)(F)F 2362785645 BHNYWEIOAMUPLC-ARFHVFGLSA-N 459.391 5.355 50 10 JKGE COc1ccc(OC)c([C@@H](Br)c2ccc(Cl)cc2I)c1 2365596264 SQIHOMIWAXEXLV-HNNXBMFYSA-N 467.528 5.446 50 10 JKGE CCSc1ccsc1[C@H]1C(C#N)=C(N)N(c2cc([N+](=O)[O-])ccc2Cl)C2=C1C(=O)CCC2 2480035 KIPICEGAZQZMLY-IBGZPJMESA-N 487.006 5.726 50 10 JKGE CCN(CC)c1ccc(/C=N/NC(=O)c2ccc(NC(=O)c3ccc(C(C)(C)C)cc3)cc2)cc1 12491703 QPXQOOYOMZPSHM-TWKHWXDSSA-N 470.617 5.847 50 10 JKGE Cc1cccc(CS/C(Nc2cccc(Cl)c2C)=C(\C#N)S(=O)(=O)c2ccccc2)c1 20325504 DFDZSLMURQBRHU-WCWDXBQESA-N 469.031 6.469 50 10 JKGE N#C/C(=C\c1ccc(OCc2ccc(C(=O)O)cc2)c(Br)c1)c1ccc(F)cc1 33475784 YYKBAKDVUXEFJL-YBFXNURJSA-N 452.279 5.930 50 10 JKGE Cc1cc([N+](=O)[O-])ccc1NC(=O)/C(C#N)=C\c1ccc(-c2ccc([N+](=O)[O-])cc2Br)o1 33930000 LZLGURCPIMORQH-LCYFTJDESA-N 497.261 5.380 50 10 JKGE N#C/C(=C/c1cn(-c2ccccc2)nc1C12CC3CC(CC(C3)C1)C2)c1nc2ccccc2s1 35447065 FYNBUBAVNWEAKZ-XKZIYDEJSA-N 462.622 7.014 50 10 JKGE C=CCOc1ccc(C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@@H]3c2ccc(C(C)C)cc2)cc1 38649521 YQMKYQRYLNIOJI-HHHXNRCGSA-N 466.537 5.812 50 10 JKGE N#CC1=C(N)Oc2cc(OC(=O)c3ccccc3F)ccc2[C@H]1c1cccc(Br)c1 38651535 RMNDUSJBBYKOSQ-OAQYLSRUSA-N 465.278 5.026 50 10 JKGE Cc1ccc(OCC(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@@H]3c2ccc(Cl)cc2Cl)cc1 38655204 TZMNKKOVSBCBTD-XMMPIXPASA-N 481.335 5.504 50 10 JKGE CCCCCOc1ccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4ccccc4C)ccc32)cc1OC 38660225 VZIDENYYQLIPAH-MUUNZHRXSA-N 498.579 6.010 50 10 JKGE CCCCOc1ccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4ccco4)ccc32)cc1OCC 38684052 FVEIYORHYOGWQK-RUZDIDTESA-N 474.513 5.295 50 10 JKGE CCCCOc1ccc(C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@@H]3c2cccc(OCC)c2)cc1 38684910 BOGCJKXATNNVAX-HHHXNRCGSA-N 484.552 5.702 50 10 JKGE C[C@H](Oc1ccc(C(C)(C)C)cc1)C(=O)N/N=C/c1ccc(OCc2ccccc2Cl)cc1 40961333 ZCGKPMFGZAXBOK-HJHSVFMCSA-N 464.993 6.134 50 10 JKGE CCOC(=O)c1cc(C(C)C)sc1NC(=O)/C(C#N)=C\c1ccc2c(c1)c1ccccc1n2CC 98063477 CJAQABLHQBWDPL-UYRXBGFRSA-N 485.609 6.722 50 10 JKGE COc1cc(N/C=C(/C#N)c2nc(-c3ccc(Br)cc3)cs2)c(C(C)=O)cc1OC 102418986 TXUDNQKMQWPMLB-PTNGSMBKSA-N 484.375 5.769 50 10 JKGE COc1cccc(N/C(SCc2ccc(C)cc2C)=C(\C#N)C(=O)NCc2cccs2)c1 105422591 XWAXCSUDIKBHJY-BZZOAKBMSA-N 463.628 5.770 50 10 JKGE CCOc1ccccc1N/C(SCc1ccccc1C)=C(\C#N)C(=O)NCc1ccccc1 105423182 NCYKTZABXQILSA-VYIQYICTSA-N 457.599 5.791 50 10 JKGE Fc1cc(Br)cc([C@@H](Cl)c2cc(Br)ccc2Br)c1 109803228 DASXSBYRVIGFHA-CYBMUJFWSA-N 457.362 6.441 50 10 JKGE COc1cc(Br)c(OCC2(CBr)CCCCC2)cc1Br 118817075 QUCYJVVIPHQZOE-UHFFFAOYSA-N 471.027 5.944 50 10 JKGE O=C(N/N=C\c1ccc(OCCCc2ccccc2)cc1)c1ccc2[nH]c3c(c2c1)CCCC3 169890097 HDDLWYHMURZCAN-COEJQBHMSA-N 451.570 5.822 50 10 JKGE COCCOc1ccc([C@H](Br)c2sccc2Br)cc1Br 229017033 YRINNJFMNGOHTF-ZDUSSCGKSA-N 485.035 5.783 50 10 JKGE CCC(CC)[C@@H](Br)CNC(=O)c1cc(Br)c(Br)s1 230657435 MZCGEHIYZWXMHQ-VIFPVBQESA-N 462.045 5.203 50 10 JKGE COc1ccc([C@H](Br)c2ccc(I)c(Cl)c2)cc1C 232343537 PHTNAJZRXXTJBU-HNNXBMFYSA-N 451.529 5.746 50 10 JKGE Clc1cc([C@H](Cl)c2csc3c(Br)cccc23)ccc1I 232344820 CMZZXYRYCAMRHP-AWEZNQCLSA-N 498.010 7.250 50 10 JKGE COc1ccc([C@H](Br)c2cc(Cl)ccc2I)c(F)c1 234994213 XDTGNWHEPDCYLU-AWEZNQCLSA-N 455.492 5.577 50 10 JKGE Fc1ccc(C[C@@H](Cl)c2cc(I)ccc2Br)cc1F 236157602 FRXPHPAZOXQVAB-GFCCVEGCSA-N 457.483 5.855 50 10 JKGE Cc1cc(C=NNC(=O)c2cc3c(ccc4ccccc43)o2)c(C)n1-c1cccc(C(=O)O)c1 252619663 LSIRUBDGUNSHOX-UHFFFAOYSA-N 451.482 5.456 50 10 JKGE CCCCCOc1ccc(CN2C(=O)C(=NNC(=O)COc3cccc(C)c3)c3ccccc32)cc1 253618268 NZDCSOCCTNCDCU-UHFFFAOYSA-N 485.584 5.010 50 10 JKGE CC(=O)O[C@H]1CC[C@]2(C)[C@@H]3CC[C@]4(C)[C@H]([C@@H](C)CC[C@H](C)C(C)C)CC[C@@H]4[C@@]34CC[C@@]2(C1)OO4 254295370 NQOHVZFOGSDCDQ-DUEBNJRMSA-N 474.726 7.492 50 10 JKGE COc1ccc2ccccc2c1C=NNC(=O)CSc1nnc(SCc2ccc(C)cc2)s1 254797407 NZTQMRGQCRDURC-UHFFFAOYSA-N 494.667 5.543 50 10 JKGE ClC1=C(Cl)[C@@]2(Cl)[C@@H]3[C@H](Br)[C@@H](Br)C[C@H]3[C@@]1(Cl)C2(Cl)Cl 256600383 RVVRZNVGDRBUJH-QEJMAMEZSA-N 498.684 5.995 50 10 JKGE Fc1ccc(Br)cc1[C@H](Cl)c1cc(I)cc2c1OCC2 312832824 JWIWAVDKLNKUNF-AWEZNQCLSA-N 467.503 5.456 50 10 JKGE CN(C(=O)OC(C)(C)C)c1ccccc1[C@@H]1CCCN(CCO[Si](C)(C)C(C)(C)C)CC1 616600332 CCIZLPHKNVFGRO-OAQYLSRUSA-N 462.751 6.649 50 10 JKGE C[C@@]12CN(Cc3ccccc3)C[C@@H]1CN(c1cc(Br)ccc1CBr)C2 702089683 RDXFXSQSEYYUEM-NQIIRXRSSA-N 464.245 5.302 50 10 JKGE Cc1cc(C)c([C@@H](Br)c2ccc(I)c(Br)c2)c(C)c1 721604483 PUXDSELLDISWBE-INIZCTEOSA-N 494.008 6.463 50 10 JKGE CCOc1ccc(C(=O)NN=Cc2cc(Cl)ccc2OCc2cccc3ccccc23)cc1 1084023221 IPYABHVUBADGBK-UHFFFAOYSA-N 458.945 6.235 50 10 JKGE COc1cc(C=NNC(=O)c2ccc(Cl)cc2Cl)ccc1OC(=O)c1ccc(Cl)cc1 1084076053 DRYQTUWAESESNQ-UHFFFAOYSA-N 477.731 5.639 50 10 JKGE Cc1ccc(Cl)cc1NC(=O)c1oc2c(c1C)C(=NNC(=O)c1ccccc1F)CCC2 1772744615 YNJOFZHADPCCFS-UHFFFAOYSA-N 453.901 5.412 50 10 JKGE Cc1cc(OCC(=O)NN=Cc2ccc(OCc3ccccc3)cc2)c(C(C)C)cc1Br 1772754879 ZVKAZYJCCPCRQN-UHFFFAOYSA-N 495.417 5.989 50 10 JKGE CC[C@@H](Cl)C(=O)O[C@H]1CC[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 1848665334 AYVNXDFYJLGZKZ-YQRXUXLOSA-N 491.200 8.957 50 10 JKGE O=C(COc1ccc(Cl)cc1Cl)NNC(=O)c1ccc(-c2ccc3ccccc3c2)s1 1860391524 LVKGFSKSQLFBHC-UHFFFAOYSA-N 471.365 5.715 50 10 JKGE CCCc1nn(-c2ccc(Cl)cc2)c2c1[C@@H](c1cccc(Br)c1)C(C#N)=C(N)O2 1865684024 LJBRYQBDGAJVCS-IBGZPJMESA-N 469.770 5.459 50 10 JKGE Cc1nn(-c2cccc3ccccc23)c2c1[C@@H](c1cccc(Br)c1)C(C#N)=C(N)O2 1865684225 NRTGSTGFCXKLDF-QFIPXVFZSA-N 457.331 5.315 50 10 JKGE Cc1ccc(C)c(Cn2nc(-c3ccccc3)c3c2OC(N)=C(C#N)[C@@H]3c2ccc(Cl)cc2)c1 1865684302 WCPIHPLJTRFAFA-DEOSSOPVSA-N 466.972 6.087 50 10 JKGE N#CC1=C(N)Oc2c(c(-c3ccccc3)nn2Cc2cccc(F)c2)[C@H]1c1ccc(Cl)c(Cl)c1 1865685730 MCRJJWKRIQXFNM-QFIPXVFZSA-N 491.353 6.262 50 10 JKGE N#CC1=C(N)Oc2c(c(-c3ccccc3)nn2Cc2cccc(Cl)c2)[C@H]1c1ccc(F)cc1F 1865701683 BORWMEPHMRCEJA-QFIPXVFZSA-N 474.898 5.748 50 10 JKGE COc1cccc([C@H]2C(C#N)=C(N)Oc3c2c(C(F)(F)F)nn3Cc2ccc(Cl)c(Cl)c2)c1 1865711750 HIIIHIBAGQKWPM-KRWDZBQOSA-N 495.288 5.484 50 10 JKGE CCc1ccc(OCCCC(=O)NNC(=O)c2ccc(-c3ccc(Cl)cc3Cl)nc2C)cc1 1865759743 PWINXFWFRSVDQT-UHFFFAOYSA-N 486.399 5.546 50 10 JKGE COc1cc2c(cc1OC)N(c1cc(Nc3ccc(SC#N)cc3)nc(-c3ccccc3)n1)CC2 1868364659 CMIUARFWWITUJQ-UHFFFAOYSA-N 481.581 6.172 50 10 JKGE Cc1nc(Nc2ccc(SC#N)cc2)cc(N2CCC(Cc3ccc(C(C)(C)C)cc3)CC2)n1 1868480277 JQXHDLQTRDIIRD-UHFFFAOYSA-N 471.674 6.858 50 10 JKGE COc1cc(/C=C/C(O)=C(\C#N)c2nc(C(C)C)cs2)ccc1OCc1ccc(Cl)cc1 1872750920 UGBDWFJPFPKDLY-VQUMOJERSA-N 466.990 7.014 50 10 JKGE CCCOc1ccc(C/C(O)=C(\C#N)c2nc(-c3cc(OC)c(Cl)cc3OC)cs2)cc1 1872754977 SCIPOAOWYVUANQ-UZYVYHOESA-N 470.978 6.305 50 10 JKGE COc1cc(/C(O)=C(\C#N)c2nc(-c3ccc(OC)c4ccccc34)cs2)c([N+](=O)[O-])cc1OC 1872758545 GDABDDJVJAYHOP-MOHJPFBDSA-N 489.509 5.847 50 10 JKGE CC[C@@H](C)[C@H](/C(O)=C(\C#N)c1nc(-c2ccc(F)c(C)c2)cs1)N1C(=O)c2ccccc2C1=O 1873920436 FLHIKQVVQDFZRW-YEGVJEGQSA-N 475.545 5.761 50 10 JKGE CC1(C)CN(c2c(CCl)ccc(Br)c2Cl)CCCN1Cc1ccccc1 1879328620 PSWYTXBPDUSBCV-UHFFFAOYSA-N 456.255 6.332 50 10 JKGE CN(C[C@H](Cl)COCc1ccccc1)C(=O)c1csc(Br)c1Br 1916342735 PPAHGBBVWUZEPV-LBPRGKRZSA-N 481.637 5.169 50 10 JKGE Cc1c(Br)sc([C@H](Cl)c2nn(C)cc2Br)c1Br 1922880481 DOGGPGABYSKZSS-SSDOTTSWSA-N 463.420 5.406 50 10 JKGE FC(F)(F)c1cccc([C@@H](Br)c2sc(Br)cc2Br)c1 1922955225 XMNWDQFUFQWTCJ-SNVBAGLBSA-N 478.953 6.776 50 10 JKGE Clc1c(Br)sc(Br)c1[C@H](Br)[C@]12COC[C@@H]1C2 1923039764 QTMGZOLBGHMLSS-WXLWJSHRSA-N 451.405 5.399 50 10 JKGE CC[C@@H](C[C@@H](Br)c1c(Br)sc(Br)c1Cl)C(C)(C)C 1923061095 HRSLWWROVXACBH-JGVFFNPUSA-N 481.519 7.825 50 10 JKGE FC1(F)[C@@H]2CC[C@H]([C@H](Br)c3c(Br)sc(Br)c3Cl)C[C@H]21 1923068228 OOBSHVINLKXOBW-FJDLHZNMSA-N 499.440 7.044 50 10 JKGE Clc1c(Br)sc(Br)c1[C@H](Br)[C@H]1CCCc2ccccc21 1923073591 YHVLPFCJFUKWAL-CMPLNLGQSA-N 499.493 7.483 50 10 JKGE C[C@@H](C1CCCC1)[C@H](Br)c1c(Br)sc(Br)c1Cl 1923876545 GCUHKMLUWIZCJE-RCOVLWMOSA-N 465.476 7.189 50 10 JKGE Cc1cc(Br)c([C@@H](Br)[C@@H](C)c2ccncc2Br)cc1Cl 1924042730 CVYHHVABABRCBR-VFZGTOFNSA-N 482.441 6.808 50 10 JKGE FC(F)(F)C1([C@H](Br)c2cc(Br)c(Br)s2)CCC1 1940746655 ZVSYAWSVSBLBQZ-SSDOTTSWSA-N 456.947 6.442 50 10 JKGE Fc1cccc([C@@H](Br)c2sc(Cl)cc2Br)c1Br 1948828479 KPPRVTAMYRTJID-SNVBAGLBSA-N 463.391 6.550 50 10 JKGE Cc1cc(Br)c(F)c([C@H](Br)c2cc(Br)c(C)s2)c1 2028924662 RVFASUWXTOWEHG-LBPRGKRZSA-N 457.000 6.513 50 10 JKGE CCc1sc(Br)cc1[C@H](Br)Cc1ccccc1Br 2030227178 POMBJHCFJMNYMS-GFCCVEGCSA-N 453.037 6.514 50 10 JKGE Brc1scc([C@H](Br)c2ccc3c(c2)COC3)c1Br 2032958435 DGHBPYBMGUHBFD-LLVKDONJSA-N 452.993 5.788 50 10 JKGE Cc1sc(Br)cc1[C@H](Br)c1cc(C2CC2)c(Br)s1 2034553614 AMLJTIMYIQMQIX-LBPRGKRZSA-N 471.077 7.005 50 10 JKGE Cc1c(Br)sc([C@H](Br)C[C@H]2CCC23CCC3)c1Br 2047941354 BTXWPAXPNCKSDS-NXEZZACHSA-N 457.069 6.988 50 10 JKGE Cc1c([C@@H](Cl)c2c(Cl)sc(Br)c2Cl)nn(C)c1Br 2049256015 OGWJTAMJHAFFKK-YFKPBYRVSA-N 453.414 5.950 50 10 JKGE CCc1cscc1[C@H](Br)c1ccc(Br)c(C)c1Br 2083331833 DEFGRPCQVAEGBY-CQSZACIVSA-N 453.037 6.628 50 10 JKGE CC(C)(C)OC(=O)N1CCC[C@](CBr)(OCc2cc(F)ccc2Br)C1 2085377796 GZLKJZCFUBVNJJ-GOSISDBHSA-N 481.200 5.269 50 10 JKGE COc1c(C)cc(Br)cc1[C@@H](Br)c1cc(Br)cs1 2085641799 HENXFBXPNZJMPJ-GFCCVEGCSA-N 455.009 6.074 50 10 JKGE COc1cc(Br)c(C)cc1[C@@H](Cl)c1cccc(I)c1 2089732129 DQXLQQOKBZPCCW-HNNXBMFYSA-N 451.529 5.699 50 10 JKGE CCC[C@@H]1CC[C@H](Br)[C@H](Cc2c(Br)cccc2Br)C1 2094093054 MHUBOAHAAGNRIO-DYEKYZERSA-N 453.056 6.734 50 10 JKGE F[C@H]1[C@H](Br)C[C@H]2CC[C@H]1N2Cc1cccc(Br)c1Br 2134122358 JXQCTAIMHHMAKP-LHMODEAPSA-N 455.991 5.050 50 10 JKGE Cc1cc(Br)c(C)c([C@H](Br)[C@@H]2CCC[C@@H]3C[C@@H]32)c1Br 2136365798 BEDLUSKKYBAFCB-LSSIXWDNSA-N 451.040 6.701 50 10 JKGE Cc1nc([C@H](Cl)c2c(Br)cc(F)c(Cl)c2F)c(Br)s1 2136958890 NLCPCLNGPJHRHI-MRVPVSSYSA-N 451.945 6.236 50 10 JKGE COc1cc(Cl)c([C@H](Br)c2nc(C)sc2Br)cc1Br 2137638647 YZDVRVSYOZCOBD-JTQLQIEISA-N 490.442 6.123 50 10 JKGE Cc1c(Br)ccc([C@@H](Br)[C@H]2CC23CCCCC3)c1Br 2138874931 ZZXPHIOTOHIBMA-IUODEOHRSA-N 451.040 6.926 50 10 JKGE Fc1cc(Cl)c([C@H](Cl)c2ccc(Br)cc2I)cc1Cl 2142279328 OTVJREZOTPBJOX-CYBMUJFWSA-N 494.356 6.828 50 10 JKGE CCCc1ccccc1[C@H](Br)c1cc(Br)c(C)cc1Br 2144493976 DHIMLXGTSAMGCR-KRWDZBQOSA-N 461.035 6.957 50 10 JKGE FC(F)(F)c1ccc([C@@H](Cl)c2cc(Br)c(Br)s2)cc1Cl 2146763837 RSNWWYCLAYCTNS-SNVBAGLBSA-N 468.947 7.274 50 10 JKGE C[C@@H]1C[C@H](CCC(CBr)(CBr)c2ccc(Br)cc2)CO1 2159288040 RDVFQACODYTOSN-OLZOCXBDSA-N 469.055 5.682 50 10 JKGE C[C@@H](c1cccs1)N(Cc1ccccc1)S(=O)(=O)c1ccc(Cl)c(CBr)c1 2179791016 LPMFTXXCJXMZTR-HNNXBMFYSA-N 484.868 6.249 50 10 JKGE C[C@H](N(Cc1ccccc1)S(=O)(=O)c1ccc(Cl)c(CBr)c1Cl)C(C)(C)C 2179829806 FFYGCJOQHCYZGC-AWEZNQCLSA-N 493.294 6.514 50 10 JKGE CC1(C)C[C@@H](Cn2c(CCl)nc3cc(I)ccc32)CN1Cc1ccccc1 2188959299 VVOWVPJMUYTOCG-QGZVFWFLSA-N 493.820 5.680 50 10 JKGE Cc1cc(Br)c(C)c([C@@H](Br)c2ccc(Cl)c(F)c2)c1Br 2201067937 BYZOFARLMBHLPZ-HNNXBMFYSA-N 485.416 7.105 50 10 JKGE CCOc1ccc([C@H](Br)c2ccc(Br)c(C)c2Br)cc1 2203689295 XVUHBDAOGAOFLH-INIZCTEOSA-N 463.007 6.403 50 10 JKGE BrCC1(N(Cc2ccccc2)C[C@@H]2CC2(Br)Br)CCC1 2209114515 WHZMSJFOTMXYBG-AWEZNQCLSA-N 466.055 5.312 50 10 JKGE Cc1cc(Br)c([C@H](Br)[C@@H]2C(C)(C)C2(F)F)c(C)c1Br 2227369986 OVZCPHCSGZBASD-NWDGAFQWSA-N 460.982 6.556 50 10 JKGE Fc1ccc([C@H](Cl)Cc2ccc(Br)cc2Cl)c(I)c1 2229145226 WIBPPUJCSYWGKO-CYBMUJFWSA-N 473.938 6.369 50 10 JKGE O=S1(=O)C[C@@H]2[C@H]([C@@H](Br)c3c(Br)cc(Cl)c(Cl)c3Cl)[C@@H]2C1 2232508766 AUXVOCLTYVIDAQ-LRXXKQTNSA-N 483.436 5.136 50 10 JKGE Clc1ccc([C@H](Br)c2c(Br)cc(Cl)c(Cl)c2Cl)cc1Cl 2232511456 KMMCTGNPPQGNPS-NSHDSACASA-N 498.256 8.200 50 10 JKGE Fc1cc(Br)c(Br)cc1[C@H](Br)[C@@H]1OC[C@@H]2CCCC[C@H]21 2233982299 SUUYXHYTDVVBJE-XNYCMSQESA-N 471.002 5.992 50 10 JKGE Cc1sc([C@H](Br)c2cc(Br)cc3c2OCC3)c(Br)c1C 2237629188 GFJSMSGEGLVIJC-CYBMUJFWSA-N 481.047 6.309 50 10 JKGE Clc1ccc(CO[C@@H](CI)c2ccc(Br)cc2)c(Cl)c1 2239707517 BOECBLDKIWIJGX-HNNXBMFYSA-N 485.974 6.449 50 10 JKGE CC(C)(C)OC(=O)NCCSSCCN[C@@H]1C[C@H]2CCCC[C@H]2N(C(=O)OC(C)(C)C)C1 2253789103 CAFZPPFTXLLZPY-GUDVDZBRSA-N 489.748 5.050 50 10 JKGE Clc1c(Br)sc(Br)c1[C@@H](Br)C[C@H]1CCCCC12CC2 2264962459 VNDMKCNAYGBBLB-BDAKNGLRSA-N 491.514 7.723 50 10 JKGE FC1(F)C[C@H]([C@@H](Br)c2c(Br)sc(Br)c2Cl)C12CCC2 2266150142 ZWPDJNRHDIXDMQ-IYSWYEEDSA-N 499.440 7.188 50 10 JKGE Fc1cc([C@H](Br)c2c(Cl)sc(Cl)c2Cl)c(F)cc1Br 2267217820 MOUJQJRZVDZWJH-QMMMGPOBSA-N 471.375 7.233 50 10 JKGE Fc1cccc(F)c1C[C@H](Br)c1ccc(Cl)c(I)c1 2268322587 GOMJFNANDSFUOM-JTQLQIEISA-N 457.483 5.902 50 10 JKGE COc1c(Br)cc([C@@H](Br)[C@H]2C[C@@H](Br)C2)c(OC)c1C 2278019466 QEJRQCJMMFUEAZ-SBMIAAHKSA-N 457.000 5.384 50 10 JKGE CC(C)c1cc(Br)cc(C[C@H](Br)c2cccc(Br)c2)c1 2280683904 MKPXNBVNNHQYSY-KRWDZBQOSA-N 461.035 7.014 50 10 JKGE Clc1cc(Br)c([C@@H](Br)[C@H]2COC3(CCC3)C2)c(Cl)c1Cl 2284738697 QCDHOWUTOGWXQQ-HQJQHLMTSA-N 463.424 6.805 50 10 JKGE CC(C)(C)OC(=O)NCc1cccc(Cl)c1NC(=O)c1ccc(CBr)cc1 2284897005 DYKGCZVRGAPUDE-UHFFFAOYSA-N 453.764 5.512 50 10 JKGE BrCC(CBr)(CCc1ccccc1)Cc1coc(Br)c1 2286718797 LXUYULCAYQXSDV-UHFFFAOYSA-N 465.023 5.994 50 10 JKGE BrCc1cc(Br)cc(Br)c1OCCCc1ccncc1 2287711915 KRKWJBWXOSJSGW-UHFFFAOYSA-N 463.995 5.513 50 10 JKGE CCOC(=O)C(C#N)=Cc1cc(Br)c(OCCOc2ccccc2C)c(OCC)c1 2293993164 QFTVENFPSQMQOJ-UHFFFAOYSA-N 474.351 5.084 50 10 JKGE CCOc1cc(C=C(C#N)c2ccc([N+](=O)[O-])cc2)ccc1OCCOc1ccc([C@@H](C)CC)cc1 2294732828 YPDZUXGTNGETKQ-NRFANRHFSA-N 486.568 7.029 50 10 JKGE Cl[C@@H](Cc1cc(Br)cc(Br)c1)c1cc(C2CC2)c(Br)s1 2295276716 ITQLBTUMYWXYOR-ZDUSSCGKSA-N 499.493 7.436 50 10 JKGE FC(F)(F)c1nc([C@@H](Br)Cc2cc(Br)cc(Br)c2)cs1 2295345115 IEAMKAKAIFZODD-VIFPVBQESA-N 493.968 6.366 50 10 JKGE CCOC(=O)C(C#N)=CNc1cc(C)c(OS(=O)(=O)c2cc(Cl)cc(Cl)c2)c(Cl)c1 2297565333 YOKBCJRCXWYECZ-UHFFFAOYSA-N 489.764 5.105 50 10 JKGE Clc1c(Br)sc(Br)c1[C@@H](Br)[C@@H]1C[C@H]2CC[C@@H]1C2 2298606884 IJMYBYSSDMQSNN-SZACMFPPSA-N 463.460 6.799 50 10 JKGE Fc1c(Br)cc(Cl)c([C@H](Br)C2(Cl)CCC2)c1Br 2300169481 YWUCBLNGZQVZDQ-JTQLQIEISA-N 469.801 6.602 50 10 JKGE FC(F)(C1CCCC1)[C@H](Br)c1sc(Cl)cc1I 2301080968 JTWBDBZUPHLTDK-SNVBAGLBSA-N 455.533 6.268 50 10 JKGE COc1cc(C=C(C#N)C(=O)Nc2cc(Cl)ccc2Cl)ccc1OCc1ccccc1Cl 2313631380 PFTFVKYQOJOJDN-UHFFFAOYSA-N 487.770 6.780 50 10 JKGE N#CC(=Cc1cc(Br)ccc1OCc1cccc(F)c1)C(=O)Nc1ccccc1F 2313631530 RNVWGYWUIIVACC-UHFFFAOYSA-N 469.285 5.852 50 10 JKGE COc1ccc(NC(=O)C(C#N)=Cc2cc(Br)ccc2OCc2ccc(Cl)cc2)cc1 2313681192 SDXFTUPDFJPFBL-UHFFFAOYSA-N 497.776 6.236 50 10 JKGE CCOc1ccc(-c2nn(-c3ccccc3)cc2C=C(C#N)c2nc(O)c3ccccc3n2)cc1C 2314432555 CAJFUSBRJRXWMM-UHFFFAOYSA-N 473.536 5.959 50 10 JKGE C[C@@H]1O[C@H](C)[C@H]([C@H](Br)c2ccc(OCc3ccccc3)cc2Br)[C@@H]1C 2314447868 CHWNUJMGLIYRMQ-JQGYYDNOSA-N 468.229 6.524 50 10 JKGE Brc1ccc(OCc2ccccc2)c([C@H](Br)c2cc3c(s2)CCC3)c1 2314486170 DGOVCBQLYQZRAA-NRFANRHFSA-N 478.249 7.063 50 10 JKGE N#CC(=Cc1ccc(-c2ccc(Br)cc2)o1)C(=O)Nc1ccc(Cl)cc1Cl 2314572024 QUQSOAYTRCYONP-UHFFFAOYSA-N 462.130 6.562 50 10 JKGE Cc1ccc(N2C(=O)[C@@H](Cc3ccccc3)SC2=C(C#N)C(=O)Nc2ccccc2C)cc1C 2314592268 PHKVAMAZYJZKQH-RUZDIDTESA-N 467.594 5.677 50 10 JKGE CCc1ccc(N2C(=O)[C@H](Cc3ccc(C)c(C)c3)SC2=C(C#N)C(=O)Nc2ccc(C)cc2)cc1 2314592675 ZXDVLRRUMNUWHU-MHZLTWQESA-N 495.648 6.239 50 10 JKGE CCCNC(=O)C(C#N)=Cc1ccc(OC(=O)CCCOc2cc(C)c(Cl)c(C)c2)c(OC)c1 2314772784 WXGIPHAULUQMMP-UHFFFAOYSA-N 484.980 5.163 50 10 JKGE CCCCNC(=O)C(C#N)=Cc1ccc(OC(=O)CCCOc2ccc(C)cc2Br)cc1 2314789545 DFLFVHDPIMCGNG-UHFFFAOYSA-N 499.405 5.345 50 10 JKGE CCCc1sc(Br)cc1[C@H](Br)c1cc(C)c(Br)s1 2316172553 SATSTRYZYQXJDG-LBPRGKRZSA-N 473.093 7.080 50 10 JKGE Fc1cc(Br)cc(CBr)c1OCc1nc(Br)cs1 2320004451 KUZJSOGAOGCRIR-UHFFFAOYSA-N 459.960 5.281 50 10 JKGE COc1ccc(C=C2Oc3cc(OCc4ccc(CCl)cc4)cc(C)c3C2=O)c(OC)c1 2325339570 HXCKUVHUPHGMBU-UHFFFAOYSA-N 450.918 5.946 50 10 JKGE C[C@@H](Oc1ccc(Cl)cc1Cl)C(O)=C(C#N)c1nc(-c2cccc([N+](=O)[O-])c2)cs1 2331236640 PSBNDVBXMCIERJ-LLVKDONJSA-N 462.314 6.285 50 10 JKGE N#CC(=C(O)CCCOc1ccc(Cl)cc1)c1nc(-c2cccc(Br)c2)cs1 2331278934 TUNBEQCHMRSBKF-UHFFFAOYSA-N 475.795 6.878 50 10 JKGE COc1ccccc1-c1csc(C(C#N)=C(O)CCCOc2cc(C)c(Cl)c(C)c2)n1 2331282172 MCLJGDZILCFBEF-UHFFFAOYSA-N 454.979 6.741 50 10 JKGE N#CC(=C(O)CCCOc1ccc(Cl)cc1Cl)c1nc(-c2ccc(F)cc2F)cs1 2331293078 OLBGBZSZAHXIMB-UHFFFAOYSA-N 467.324 7.047 50 10 JKGE COc1ccc(C=C(C(O)=C(C#N)c2nc(-c3ccc(F)cc3)cs2)c2ccccc2)cc1 2331343556 BQZQBQBFZUMMFR-UHFFFAOYSA-N 454.526 6.991 50 10 JKGE CC[C@H](C)N1C(=O)c2ccc(C(O)=C(C#N)c3nc(-c4ccc(OC)c(C)c4C)cs3)cc2C1=O 2331361301 GNAZUKRZQDUXFA-AWEZNQCLSA-N 487.581 5.780 50 10 JKGE COc1cc(-c2csc(C(C#N)=Cc3cc(Br)ccc3O)n2)c(OC)cc1Cl 2331471153 RGNRYQKGIBPWCO-UHFFFAOYSA-N 477.767 6.013 50 10 JKGE CC1(C)CCC[C@H]([C@H](Br)c2ccc(OCc3ccccc3)cc2Br)CC1 2336037599 FOGGNDABYAEIET-AVRDEDQJSA-N 480.284 8.071 50 10 JKGE FC(F)(F)[C@@H]1CCO[C@H]1[C@@H](Br)c1ccc(OCc2ccccc2)cc1Br 2336043693 HLEJFXFNVSBQCO-BPQIPLTHSA-N 494.145 6.432 50 10 JKGE CC1(C)C[C@@H]([C@H](Br)c2cc(Br)ccc2OCc2ccccc2)C(C)(C)O1 2336050530 LGBXYGBKVSGDIA-AZUAARDMSA-N 482.256 7.058 50 10 JKGE Cc1cc([C@@H](Cl)c2cc(Br)ccc2OCc2ccccc2)cc(C)c1Br 2336080026 IIMMVQWUNNAILL-JOCHJYFZSA-N 494.654 7.736 50 10 JKGE Fc1c(Br)cc(Cl)c([C@@H](Br)C[C@@H]2CC[C@@H]3C[C@H]23)c1Br 2337081627 ABDMEUPXMVVBSR-XGEHTFHBSA-N 475.421 6.876 50 10 JKGE Clc1cccc([C@H](Br)CCc2ccc(Cl)c(I)c2)c1 2337218324 HLULRMCVMJLMTI-CYBMUJFWSA-N 469.975 6.667 50 10 JKGE CC12CC(C1)[C@@H]([C@@H](Br)Cc1cc(Br)cc(Br)c1)CO2 2337683608 RIYHALYCTBHJGR-LBYOPCMCSA-N 453.012 5.333 50 10 JKGE CCCc1sc(Br)cc1[C@@H](Br)c1c(C)cccc1Br 2338021057 NPJBZTMWKWPSGD-OAHLLOKOSA-N 467.064 7.018 50 10 JKGE Clc1cc(I)c([C@@H](Br)c2ccc3c(c2)COCC3)s1 2338566878 SLEHYNXUELGVAK-ZDUSSCGKSA-N 469.569 5.563 50 10 JKGE Cc1cc([C@@H](Br)c2c(C)cc(Br)c(F)c2Br)c(C)o1 2339647016 WWXALAZTCDXQDZ-GFCCVEGCSA-N 454.959 6.353 50 10 JKGE Cl[C@H]1C[C@H](OCc2cc(I)ccc2Br)C12CCCC2 2341835559 AACROJFULXDSBZ-KBPBESRZSA-N 455.561 5.510 50 10 JKGE CCc1cc(Br)c(OC)c([C@H](Br)c2ccsc2Br)c1 2353039354 GCTQOHAPXLSKHV-GFCCVEGCSA-N 469.036 6.328 50 10 JKGE Cc1cc(Cl)c([C@@H](Cl)c2c(Br)sc(Br)c2Cl)c(Cl)c1 2353087362 POIPLWCHNZXFLU-SECBINFHSA-N 483.867 7.870 50 10 JKGE C[C@@H](C[C@@H]1CCOC1)Oc1c(Br)cc(CBr)cc1Br 2353222483 NDQWZWLNFSNOKD-UWVGGRQHSA-N 457.000 5.300 50 10 JKGE Fc1cc(Cl)c(Br)c(Cl)c1[C@@H](Br)CCOCC(F)(F)F 2360422949 JZFGOBRLVMDBHN-YFKPBYRVSA-N 462.890 6.300 50 10 JKGE Fc1cc(Cl)c(Br)c(Cl)c1[C@H](Br)Cc1cccc(Cl)c1 2360423570 MXSFWPLKERMJRG-SECBINFHSA-N 461.383 7.227 50 10 JKGE Clc1c(Br)ccc(CBr)c1N1CC(n2cc(Br)cn2)C1 2361522815 VMXXMFHNFCEMCX-UHFFFAOYSA-N 484.417 5.018 50 10 JKGE COc1ccc([C@@H](Cl)c2c(Br)c(Br)nn2C)c(Cl)c1Cl 2364069426 IONRZRXMTNPKJW-SECBINFHSA-N 463.384 5.589 50 10 JKGE COc1c([C@@H](Cl)c2c(C)cc(Br)c(F)c2Br)csc1Cl 2365176883 UPZXYQVKWOGDHR-SNVBAGLBSA-N 462.993 6.711 50 10 JKGE Cc1cc(Br)c(F)c(Br)c1[C@H](Br)C[C@H]1CCC12CCC2 2365192832 XHXGNYCICZNIKE-GHMZBOCLSA-N 469.030 7.066 50 10 JKGE O=C(N[C@H](CBr)C1CCCCC1)c1ccc(Cl)cc1I 2365588153 GAYKHGRWIGHJTQ-CQSZACIVSA-N 470.576 5.018 50 10 JKGE Clc1ccc(CN2C[C@@H]3C[C@@H](CBr)C[C@@H](C3)C2)c(I)c1 2369250135 IBHGOZRIUYILKM-XYYAHUGASA-N 468.604 5.188 50 10 JKGE Brc1cc2c(cc1[C@@H](Br)c1ccc(OCc3ccccc3)cc1)CCCO2 2369615778 LYIHZQFZKZHILT-QHCPKHFHSA-N 488.219 6.837 50 10 JKGE ClC1CCC2(CC1)CCN(Cc1ccc(I)c(Br)c1)C2 2377339688 JWQFSWIRGZVFQF-UHFFFAOYSA-N 468.604 5.427 50 10 JKGE N#C/C(=C\c1cccn1-c1ccc([N+](=O)[O-])cc1)C(=O)Nc1ncc(Cc2ccc(Cl)cc2)s1 1454129 GIIJEPKYKQGAGS-GHRIWEEISA-N 489.944 5.632 50 10 JKGE CCCSc1ccc(-c2nn(-c3ccccc3)cc2/C=C(\C#N)C(=O)NCCCn2ccnc2)cc1 2249277 YOYKZBUJNUCJNQ-PTGBLXJZSA-N 496.640 5.351 50 10 JKGE Cc1ccc(CS/C(Nc2cc(Cl)ccc2C)=C(\C#N)S(=O)(=O)c2ccccc2)cc1 2688702 KDESBAOYTINSPF-WCWDXBQESA-N 469.031 6.469 50 10 JKGE CC[C@@H](Oc1ccccc1[C@H](C)CC)C(=O)NNC(=O)[C@@H](C)Oc1ccc(Cl)cc1Cl 10683327 DTQUOEGBYQJTRF-SPYBWZPUSA-N 467.393 5.279 50 10 JKGE Cc1ccc(C(=O)NNC(=O)c2ccc(OCCC(C)C)c(Br)c2)cc1Br 14645679 WRADCBFUIICINL-UHFFFAOYSA-N 498.215 5.020 50 10 JKGE N#C/C(C(=O)Nc1ccccc1Cl)=C1\S[C@@H](Cc2ccccc2)C(=O)N1c1ccccc1 35212696 NPBBHNLRFKOSBH-ZUGOUDHMSA-N 459.958 5.405 50 10 JKGE Cc1cccc(N2C(=O)CS[C@H]2c2ccc(NC(=O)[C@@H](Cl)c3ccccc3)cc2)c1C 35927175 CCIMRFDAEUYZSW-ZCYQVOJMSA-N 450.991 6.001 50 10 JKGE CC(C)Oc1ccc(C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@H]3c2ccc(C(C)(C)C)cc2)cc1 38649789 GCARYTSXPGFDND-MHZLTWQESA-N 482.580 6.209 50 10 JKGE CCCCOc1ccccc1[C@@H]1C(C#N)=C(N)Oc2cc(OC(=O)COc3cccc(C)c3)ccc21 38682852 CTVUHVUPKCGNKY-NDEPHWFRSA-N 484.552 5.377 50 10 JKGE COC(=O)c1ccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4oc5ccc(C)cc5c4C)ccc32)cc1 38700949 XOMPOTCTJHIHID-VWLOTQADSA-N 494.503 5.274 50 10 JKGE Cc1cc(C)cc(Oc2nc3c(C)cccn3c(=O)c2/C=C(/C#N)C(=O)Nc2cccc(Cl)c2)c1 39858776 MOSZBGBFHWPALP-UYRXBGFRSA-N 484.943 5.611 50 10 JKGE COc1cc(/C=C(\C#N)C(=O)NCc2ccco2)ccc1OC(=O)CCc1ccc(C(C)(C)C)cc1 40995878 YIPUCDDTXFQBLI-CJLVFECKSA-N 486.568 5.347 50 10 JKGE COc1cc(/C=C/C(=O)Oc2ccc(/C=C\C#N)cc2OC)ccc1OCc1ccc(Cl)cc1 41012531 ZXOWTUMXXMOKGA-PJPNQUCHSA-N 475.928 6.092 50 10 JKGE N#C/C(=C\c1cn(Cc2ccc(Cl)cc2Cl)c2ccccc12)C(=O)Nc1ccccc1F 59117204 WCBNFCKRIABRFP-GZTJUZNOSA-N 464.327 6.681 50 10 JKGE C[C@@H]1CCCC[C@@H]1NC(=O)[C@@H](c1ccc(Cl)cc1)N(Cc1cccc(Cl)c1)C(=O)CCl 97914284 BZXUWBIOFLUDGQ-XORNHQRDSA-N 481.851 5.997 50 10 JKGE COc1ccccc1CN(C(=O)CCl)[C@H](C(=O)NC1CCCCCC1)c1ccc(C)cc1 97914911 YANIATAPVJXQOY-VWLOTQADSA-N 457.014 5.151 50 10 JKGE CCCCCCCCOc1ccccc1/C=N/NC(=O)COc1ccc(Br)cc1 100994604 SOZAXNJMYFXKNG-KOEQRZSOSA-N 461.400 5.718 50 10 JKGE CC1=C(C#N)C(=O)N(Cc2ccc(F)cc2)C(=O)/C1=C/c1ccc(OCc2ccccc2F)cc1 101340642 MLESFNWOMOGDER-ZVHZXABRSA-N 470.475 5.336 50 10 JKGE CCCCCCCCC(CBr)(CBr)c1ccccc1Br 118878865 NDSMXTVCOXXUOX-UHFFFAOYSA-N 469.099 7.227 50 10 JKGE C[C@H]([C@@H]1CCC[C@H]1P(c1ccccc1)c1ccccc1)P(c1ccccc1)c1ccccc1 147679781 YKWKRSUMPSPUSZ-SDDUWZMOSA-N 466.545 6.809 50 10 JKGE CCc1cc(CC)c([C@@H](Cl)c2cc(Br)c(Br)s2)c(CC)c1 148042638 IWSUFZAYQNHMBA-INIZCTEOSA-N 450.667 7.289 50 10 JKGE COc1cc(Cl)c([C@H](Br)c2ccc(Br)c(Cl)c2)cc1Cl 164550700 UKQUIISTGKSQDM-CQSZACIVSA-N 459.392 6.902 50 10 JKGE CCOc1cc(Cl)c([C@H](Br)c2ccc(C)c(Br)c2)cc1Cl 164581774 ZKHLTMJMPACGST-MRXNPFEDSA-N 453.001 6.947 50 10 JKGE Fc1cc(Cl)ccc1CC(CBr)(CBr)c1cccc(Br)c1 164856922 GGAWSUIHCAQCBQ-UHFFFAOYSA-N 499.443 6.512 50 10 JKGE Cc1ccc(NC(=O)/C(C#N)=C\N2CCN(C(c3ccccc3)c3ccccc3)CC2)cc1Cl 217008105 RPJMMHYWSAVBML-GFMRDNFCSA-N 471.004 5.402 50 10 JKGE Brc1cc([C@H](Br)[C@H]2CCc3ccccc3C2)sc1Br 223618979 AUKBMMLRGXDWRC-SMDDNHRTSA-N 465.048 6.514 50 10 JKGE CCOc1ccc([C@H](Br)c2ccc(Br)cc2C)cc1Br 228997861 GEXZOIQPEALMQR-INIZCTEOSA-N 463.007 6.403 50 10 JKGE CC(C)(C)[C@H](CCBr)NC(=O)c1ccc(Br)cc1Br 231163272 RSPZPXWGJIAFNF-LBPRGKRZSA-N 456.016 5.141 50 10 JKGE COc1cc(C)c(Br)cc1[C@@H](Cl)c1ccc(I)c(Cl)c1 232344343 FRCUAXJZIPXWRJ-HNNXBMFYSA-N 485.974 6.352 50 10 JKGE COc1ccc([C@H](Br)c2ccc(Br)cc2Br)cc1Cl 234996067 VHCITZKTHPNBLQ-AWEZNQCLSA-N 469.398 6.358 50 10 JKGE Cc1cc([C@@H](Br)c2cc(Cl)ccc2Br)c(C)cc1Br 235863007 NSEWIYSMPSRCMP-OAHLLOKOSA-N 467.426 6.966 50 10 JKGE Cl[C@H](c1csc(Br)c1)c1cc(Br)sc1Br 236044973 FKIOFHDIHSJPGP-MRVPVSSYSA-N 451.430 6.425 50 10 JKGE Clc1ccc(I)c([C@H](Br)Cc2nc3ccccc3s2)c1 236084284 KBQOVUNGQRIIFD-LLVKDONJSA-N 478.580 6.233 50 10 JKGE CC(=NNC(=O)c1c[nH]c2ccccc12)c1ccc(NC(=O)[C@@H](C)Oc2ccc(Cl)cc2C)cc1 254351794 NBRYIYPFFHYTGT-GOSISDBHSA-N 488.975 5.690 50 10 JKGE Cc1ccc2nc(-c3ccc(C(C)C)cc3)cc(C(=O)NN=Cc3ccc4c(c3)OCO4)c2c1 254498766 QUDJSENQBXDHHA-UHFFFAOYSA-N 451.526 5.826 50 10 JKGE CCOc1cc(C=NNC(=O)CSc2nc3ccccc3o2)ccc1OCc1ccc(F)cc1 254672499 ILPGQIRAWNFFBJ-UHFFFAOYSA-N 479.533 5.187 50 10 JKGE C[C@@H]([C@H]1CCN(Cc2ccccc2)C1)n1c(CCl)nc2cc(F)c(Br)cc21 380777067 SXGHXCYPTNAPCG-HOCLYGCPSA-N 450.783 5.760 50 10 JKGE BrCc1c(Br)cccc1Oc1ccccc1I 394789204 IKAARLABDFQEEH-UHFFFAOYSA-N 467.926 5.741 50 10 JKGE Fc1cc([C@@H](Br)c2c(Br)cc(F)c(F)c2F)ccc1Br 398651933 BTVBQHCUBHCPOZ-LLVKDONJSA-N 476.887 6.252 50 10 JKGE BrCc1cc(Br)c(OCCC[C@@H]2CCOC2)c(Br)c1 400545290 LQVHQBNIRVQVSK-SNVBAGLBSA-N 457.000 5.302 50 10 JKGE CC(C)(C)OC(=O)N1CC[C@@H](c2ccccc2CCO[Si](C)(C)C(C)(C)C)c2ccccc21 616589065 PPSGFDKLHRFCEW-QHCPKHFHSA-N 467.726 7.528 50 10 JKGE CC(C)(C)OC(=O)N1CC[C@H](c2ccccc2CCO[Si](C)(C)C(C)(C)C)c2ccccc21 616675370 PPSGFDKLHRFCEW-HSZRJFAPSA-N 467.726 7.528 50 10 JKGE Fc1cc(F)c2nc(CCl)n(CC3(N(Cc4ccccc4)Cc4ccccc4)COC3)c2c1 705784387 XYSROJPMSFHLAG-UHFFFAOYSA-N 467.947 5.525 50 10 JKGE Clc1cc(Br)c(OCc2cncc(Br)c2)c(CBr)c1 708089124 KDWIRZCAZZPHJT-UHFFFAOYSA-N 470.386 5.734 50 10 JKGE CC1(C)CN(Cc2ccccc2)C[C@H]1n1c(CCl)nc2cc(I)ccc21 720825808 ZUBLEMFDSJMNOD-LJQANCHMSA-N 479.793 5.463 50 10 JKGE Cc1ccc(C=NNC(=O)COc2ccc3cc(Br)ccc3c2Br)cc1 725421710 VNDUZDINGTYNKC-UHFFFAOYSA-N 476.168 5.202 50 10 JKGE N#C/C(=C/c1ccc(-c2ccc(Cl)c([N+](=O)[O-])c2)o1)C(=O)Nc1cccc(Cl)c1Cl 1083920345 SWOCWWCABDSJIS-WQLSENKSSA-N 462.676 6.361 50 10 JKGE CCCCCCCCCCOc1ccc(C(=O)NN=Cc2cc(Cl)cc(Cl)c2OC)cc1 1084136539 CGEFCBSSVFXNKK-UHFFFAOYSA-N 479.448 7.285 50 10 JKGE COc1cc(/C=C(\C#N)C(=O)Nc2cccc(Cl)c2Cl)ccc1OCc1ccccc1F 1084311964 LMXXGHFEDWMWCR-GZTJUZNOSA-N 471.315 6.266 50 10 JKGE O=C(NN=Cc1ccccc1Br)c1ccc(CSc2ccc(Cl)cc2)cc1 1084365266 SAYHDBSCLJYYQJ-UHFFFAOYSA-N 459.796 6.159 50 10 JKGE CCc1ccc(NC(=O)/C(C#N)=C\c2cc(Cl)ccc2OCc2ccc(Br)cc2)cc1 1084566075 UVMHYBHPHJYCRV-MOSHPQCFSA-N 495.804 6.790 50 10 JKGE COc1cccc(CC(=O)NN=Cc2cc(Br)c(Sc3ccc(Cl)cc3)o2)c1 1084618035 MGYROTKBSPATCQ-UHFFFAOYSA-N 479.783 5.548 50 10 JKGE CCOC(=O)c1ccc(NC(=O)c2oc3c(c2C)C(=NNC(=O)c2ccccc2Cl)CCC3)cc1 1772743640 FKSSGOLOYPFVMB-UHFFFAOYSA-N 493.947 5.141 50 10 JKGE Cc1ccc(NC(=O)c2oc3c(c2C)C(=NNC(=O)c2ccccc2)CCC3)c(Br)c1 1772745349 YPNQTRASSVIPME-UHFFFAOYSA-N 480.362 5.382 50 10 JKGE CCc1nn(Cc2cc(C)ccc2C)c2c1[C@H](c1cccc(Br)c1)C(C#N)=C(N)O2 1865684257 OSRGTOBPTHFLCS-OAQYLSRUSA-N 463.379 5.091 50 10 JKGE CCCOc1ccc([C@H]2C(C#N)=C(N)Oc3c2c(-c2ccccc2)nn3-c2ccc(Cl)cc2)cc1 1865693804 LYTLRZBWLBLTTB-DEOSSOPVSA-N 482.971 6.200 50 10 JKGE COc1ccc([C@@H]2C(C#N)=C(N)Oc3c2c(-c2ccccc2)nn3-c2ccc(C)cc2)cc1OC 1865706663 BYPHAVOZHFKKGE-XMMPIXPASA-N 464.525 5.083 50 10 JKGE COC(=O)c1c(NC(=O)/C(C#N)=C/c2ccc(Br)cc2)sc(C)c1-c1ccccc1 1866129193 HKBVVITWJODLKJ-SFQUDFHCSA-N 481.371 5.818 50 10 JKGE COc1ccc(-c2c(C3CCC3)oc3cc(OCc4cccc(CCl)c4)ccc3c2=O)cc1OC 1871436915 BZQRCUVECRXPLL-UHFFFAOYSA-N 490.983 7.063 50 10 JKGE CCOc1ccc(/C=C(C(/O)=C(\C#N)c2nc(-c3ccc(OC)c(C)c3)cs2)\c2ccccc2)cc1 1872746341 CPGCSNAGHFJXAX-FOHFAKKCSA-N 494.616 7.559 50 10 JKGE N#C/C(=C(/O)c1ccc(N2CCCC2)c([N+](=O)[O-])c1)c1nc(-c2ccc(Br)cc2)cs1 1872746770 XKIVLLWRQDLPLG-FXBPSFAMSA-N 497.374 6.031 50 10 JKGE Cc1ccc(-c2csc(/C(C#N)=C(\O)c3ccccc3I)n2)c(C)c1 1872748821 PDFZYKOKSDINPV-MNDPQUGUSA-N 458.324 5.981 50 10 JKGE COc1ccc(-c2csc(/C(C#N)=C(\O)[C@@H](C(C)C)N3C(=O)c4ccccc4C3=O)n2)c(C)c1C 1872754046 ZWZNAGKOLNBUJV-ULRLVEHFSA-N 487.581 5.549 50 10 JKGE CCOc1cc(/C=C(\C#N)c2nc(-c3ccc(F)c(F)c3)cs2)ccc1OCc1ccc(C)cc1 1872793054 FVINMXKFVAUDEJ-WSDLNYQXSA-N 488.559 7.439 50 10 JKGE COc1ccc(-c2csc(/C(C#N)=C/c3cc(Br)cc(OC)c3O)n2)c(OC)c1 1872793600 JKDIVNAJAGNGNQ-AWNIVKPZSA-N 473.348 5.368 50 10 JKGE C[C@@H](Cl)CN(Cc1ccccc1)c1ncc(I)cc1Br 1882959192 XBHUBLQNAAHLLU-LLVKDONJSA-N 465.560 5.083 50 10 JKGE Cc1nsc(Br)c1[C@H](Cl)c1cc(I)cc2c1OCC2 1912974522 IIWPGWNNMQUVFO-LLVKDONJSA-N 470.557 5.082 50 10 JKGE C[C@@H](c1cccs1)N(Cc1ccccc1)c1ccc(CBr)cc1Br 1914895836 WGWYUPIWFVYLIT-HNNXBMFYSA-N 465.254 7.173 50 10 JKGE Cc1c(Br)sc([C@@H](Br)c2ccc(C(C)(C)C)cc2)c1Br 1922885332 UVTHAERXHFFLEK-ZDUSSCGKSA-N 481.091 7.363 50 10 JKGE FC(F)(F)c1ccc(Cl)c([C@@H](Cl)c2sc(Br)cc2Br)c1 1922885663 IZIUUUYTXQQAKS-SNVBAGLBSA-N 468.947 7.274 50 10 JKGE Cc1c(Br)sc([C@@H](Br)C2Cc3ccccc3C2)c1Br 1922889863 YXKWUSJGLNXTBR-ZDUSSCGKSA-N 465.048 6.433 50 10 JKGE Clc1c(Br)sc(Br)c1[C@H](Br)[C@]12CCCC[C@@H]1OCC2 1923067805 IWZYPJYDQTZIKK-TXMMPKFLSA-N 493.486 6.712 50 10 JKGE C[C@H](c1ccncc1Br)[C@H](Br)c1ccc(I)cc1 1924033720 VWHHELHHSGNVMS-OTYXRUKQSA-N 480.969 5.688 50 10 JKGE Fc1ccc([C@H](Cl)c2c(Br)sc(Br)c2Br)cc1 1924580887 VXKKBKMJKGZRLC-VIFPVBQESA-N 463.391 6.503 50 10 JKGE FC(F)(F)C1([C@H](Cl)c2c(Br)sc(Br)c2Br)CC1 1924615216 XVSVQDIXDUSHHY-RXMQYKEDSA-N 477.365 6.658 50 10 JKGE Cl[C@H](c1c(Br)sc(Br)c1Br)[C@]12CCCC[C@@H]1OCC2 1924616817 TXYPIRSFVLDVCV-NYNLCMDTSA-N 493.486 6.665 50 10 JKGE Cc1ccc([C@@H](Br)c2sc(Cl)cc2Br)cc1Br 1948829548 UWZXVBLQWMZPFK-LLVKDONJSA-N 459.428 6.719 50 10 JKGE Cl[C@@H](c1c(Br)sc(Br)c1Br)[C@H]1[C@H]2COC[C@H]21 1982232194 LLIFLAWZLMWJHL-GUMKFJOWSA-N 451.405 5.208 50 10 JKGE CC(C)C1([C@H](Cl)c2c(Br)sc(Br)c2Br)CCC1 2017135060 PDAWGFXDXHKRBG-SECBINFHSA-N 465.476 7.142 50 10 JKGE Cc1cc([C@@H](Cl)c2cc(Br)c(Cl)s2)ccc1I 2026131831 AHASQRDJVUXLOC-LLVKDONJSA-N 461.977 6.405 50 10 JKGE Cn1cc([C@H](Br)c2cc(C3CC3)c(Br)s2)nc1Br 2033625712 DTSUARXTGUACIY-JTQLQIEISA-N 455.013 5.368 50 10 JKGE FC1(F)CCC[C@@H]2[C@H]([C@H](Br)c3sc(Br)cc3Br)[C@H]21 2051237156 BLDFJBTYSKUREH-VITNAHMWSA-N 464.995 6.391 50 10 JKGE CC1(C)CCC(CBr)(Cc2cc(Cl)ccc2I)CC1 2100843335 YJOLNHGYHZQXCM-UHFFFAOYSA-N 455.605 6.469 50 10 JKGE Fc1ccc(I)cc1[C@H](Br)Cc1ccc(Cl)c(Cl)c1 2113352768 FFPPNHHJAPVQPO-LLVKDONJSA-N 473.938 6.416 50 10 JKGE C[C@H]1CN(c2cc(Br)cc(F)c2CBr)[C@H](C)[C@H](C)N1Cc1ccccc1 2114264514 OSSOGDQLVLKDBP-HRCADAONSA-N 484.251 5.971 50 10 JKGE Cc1c(Br)sc([C@H](Br)[C@@H]2C[C@@H]2C2CCOCC2)c1Br 2135276153 GUIGMJICNUGAQB-CKYFFXLPSA-N 473.068 6.080 50 10 JKGE Cc1cc(Br)c(C)c([C@H](Br)C(C)(C)C(C)(C)C)c1Br 2136378836 GESAHYUWANYQLG-AWEZNQCLSA-N 455.072 7.337 50 10 JKGE Cn1ncc([C@H](Br)c2c(Br)cc(F)c(Cl)c2F)c1Br 2136959032 OSARBCOJHMVGBG-QMMMGPOBSA-N 479.344 5.361 50 10 JKGE C[C@@]1([C@H](Br)c2ccc(Br)cc2Br)CCCC(F)(F)C1 2138871697 OWTBEDJHKMIBIV-CHWSQXEVSA-N 460.982 6.863 50 10 JKGE O=[N+]([O-])c1ccc(C[C@H](Br)c2cccc(Br)c2Br)cc1 2148762783 YLAIHQYUXYMELF-ZDUSSCGKSA-N 463.951 5.799 50 10 JKGE COc1ccc(Br)cc1Oc1c(CBr)ccc(Br)c1Cl 2154372666 GKFDZXPYUOWHKN-UHFFFAOYSA-N 485.397 6.561 50 10 JKGE Clc1cc(Cl)c(Oc2c(CBr)ccc(Br)c2Cl)cc1Cl 2154374954 BFEMSGFROCWCHS-UHFFFAOYSA-N 479.810 7.750 50 10 JKGE CC[C@H](Br)[C@H]1CCCCN1C(=O)c1cc(Cl)ccc1I 2170618633 ZXYFBGCQSOJDGG-GXTWGEPZSA-N 470.576 5.113 50 10 JKGE O=S(=O)(c1cc(Cl)cc(CBr)c1Cl)N1CC[C@@H](COCc2ccccc2)C1 2179861825 NAZNRQXDYOEWSK-OAHLLOKOSA-N 493.250 5.116 50 10 JKGE Brc1c2c(c([C@H](Br)[C@H]3C[C@@H](Br)C3)c3c1CCC3)CCC2 2196896819 RVJAIGPYXGSLGY-KCWFYHRYSA-N 463.051 6.036 50 10 JKGE CCN(C[C@](C)(CI)OC[C@@H]1C[C@H]1C1CCCCCC1)C(=O)OC(C)(C)C 2200760104 OOACREPXAZYTAM-IPJJNNNSSA-N 493.470 6.060 50 10 JKGE CCc1nn(C)c([C@H](Cl)c2ccc(Br)c(C)c2Br)c1Br 2203685796 RHDUCVPDQSMWCO-CYBMUJFWSA-N 485.445 5.907 50 10 JKGE Cc1cc([C@@H](Cl)c2c(Br)cc(F)c(Cl)c2F)ccc1I 2207110006 CUERJXRFGDBFCF-GFCCVEGCSA-N 491.928 6.622 50 10 JKGE Cc1ccc(I)c([C@@H](Cl)c2sc(C)c(Br)c2C)c1 2224052121 BKALAQAPZKYOMC-CYBMUJFWSA-N 455.586 6.369 50 10 JKGE Cc1ccc(I)c([C@H](Cl)c2c(Cl)sc(Cl)c2Cl)c1 2224052265 CTTSBSFXTYCWEM-VIFPVBQESA-N 451.971 6.950 50 10 JKGE C[C@@H]1O[C@H](C)[C@H]([C@H](Br)c2cc(Br)c(Br)cc2F)[C@H]1C 2225618604 YTKGZUCWGRMMST-LQPMTHHHSA-N 458.991 5.846 50 10 JKGE COc1cscc1[C@@H](Br)c1c(Br)cc(C)c(Br)c1C 2227348049 LVPNBNVQKSNJAH-CQSZACIVSA-N 469.036 6.383 50 10 JKGE C[C@]1(C(F)(F)F)C[C@H]1[C@@H](Br)c1c(Br)cc(Cl)c(Cl)c1Cl 2232509458 CXKRQFHLKKTMGQ-LSMXRSANSA-N 475.357 7.434 50 10 JKGE CC1(C)[C@@H](n2c(CCl)nc3c(F)cc(Br)cc32)C[C@H]1OCc1ccccc1 2232917258 ZJGCSENPGUXFSB-ZWKOTPCHSA-N 451.767 6.233 50 10 JKGE Fc1cc(Br)c(Br)cc1[C@H](Br)[C@H]1C[C@H]1C1CCCCC1 2233976298 OBSINOIQPMHJLU-XMZIXOGTSA-N 469.030 7.003 50 10 JKGE Cc1sc([C@H](Br)c2cc(Br)c3c(c2)CCO3)c(C)c1Br 2234462951 CISSVXOYRCACIJ-CYBMUJFWSA-N 481.047 6.309 50 10 JKGE CCOc1ccc([C@H](Br)c2sc(C)c(Br)c2C)c(Br)c1 2234468824 HYSWEJMYAXEXAM-AWEZNQCLSA-N 483.063 6.773 50 10 JKGE Cc1cc(Br)c(C)c([C@@H](Br)[C@H]2CCCC(C)(C)O2)c1Br 2235157633 ALTONNMHVAXDEX-DOMZBBRYSA-N 469.055 6.612 50 10 JKGE CC1(C)CN(C(=O)c2c(Br)cccc2Br)C[C@@H]1CCBr 2238461401 ROYCCMXRDLKLAE-JTQLQIEISA-N 468.027 5.095 50 10 JKGE BrC[C@@H]1C[C@@H]2CCCC[C@@H]2N1Cc1cc(Br)ccc1Br 2240685654 DJDLSZLHJUYRLF-PJODQICGSA-N 466.055 5.740 50 10 JKGE Cc1cc(F)c(Br)cc1C(=O)N(Cc1ccccc1)C(C)(C)CBr 2249388174 IJGZHAONLIZYAJ-UHFFFAOYSA-N 457.181 5.713 50 10 JKGE C[C@@H](c1ccncc1Br)[C@H](Cl)c1c(F)cccc1I 2267657243 ZYMQMDZLFXRSCH-RTHLEPHNSA-N 454.508 5.671 50 10 JKGE Fc1cc(Cl)c(Br)cc1[C@@H](Br)c1cccc(Cl)c1Br 2267981002 BMABNLSHXGQXQP-LBPRGKRZSA-N 491.807 7.142 50 10 JKGE O=C(Nc1ccccc1CBr)c1ccc(Cl)c(I)c1 2268357380 JMEFBNOOUGNSKK-UHFFFAOYSA-N 450.501 5.092 50 10 JKGE COc1ccc([C@@H](Br)Cc2ccc(Cl)cc2)cc1I 2269538593 BICAICOCVSREMZ-ZDUSSCGKSA-N 451.529 5.632 50 10 JKGE C[C@H](Cl)c1nc2cc3c(cc2n1CCCN(Cc1ccccc1)Cc1ccccc1)COC3 2271823509 QSTYVYNIWRIVMR-NRFANRHFSA-N 460.021 6.459 50 10 JKGE C[C@@H]1CCC[C@H]([C@H](Br)Cc2cc(Br)cc(Br)c2)CC1 2277953280 PORLJJHFVHQFPX-PVXIVEMSSA-N 453.056 6.734 50 10 JKGE C[C@H]1OC2(C)CC1([C@@H](Br)Cc1cc(Br)cc(Br)c1)C2 2277954874 ZJJANWNUAQNSMY-BWYOJNGRSA-N 453.012 5.475 50 10 JKGE CC(C)([C@@H](Br)Cc1cc(Br)cc(Br)c1)[C@H]1CCCO1 2277962299 FRWGVYTZTSPOML-UONOGXRCSA-N 455.028 5.723 50 10 JKGE Fc1cccc(I)c1[C@@H](Cl)c1scc(C(F)(F)F)c1Br 2282894544 PUNWBYKNQNSGPT-SNVBAGLBSA-N 499.492 6.601 50 10 JKGE CCC[C@H]1CC[C@H]([C@@H](Br)c2ccc(OC)c(I)c2)CC1 2284998596 RQBAQGBCQLYCOB-PBFPGSCMSA-N 451.186 6.342 50 10 JKGE CC(C)([C@@H]1CCCO1)[C@H](Br)c1c(F)cc(Br)c(F)c1Br 2288498579 IMFOSMJWRUGIMB-TVQRCGJNSA-N 476.981 6.131 50 10 JKGE COc1c(C)cc(C)cc1[C@H](Cl)c1ccc(Br)cc1I 2295299913 WKSDPAWSFPSBMX-OAHLLOKOSA-N 465.556 6.007 50 10 JKGE FC1(F)CC[C@@H]1C[C@@H](Br)c1ccc(OCc2ccccc2)cc1Br 2299492615 DBXUWYXICFJGGT-RHSMWYFYSA-N 460.156 6.900 50 10 JKGE C[C@@H]1OCC[C@@H]1C[C@@H](Br)c1ccc(OCc2ccccc2)cc1Br 2299492914 JLEXWVIHJUGKSK-ZSZQSSIHSA-N 454.202 6.279 50 10 JKGE Clc1ccccc1[C@@H](Br)c1ccc(OCc2ccccc2)cc1Br 2299531573 XBWPPSIQNHHGMY-FQEVSTJZSA-N 466.600 7.166 50 10 JKGE BrC[C@H](CSc1cc(I)ccc1Br)C1CCC1 2300792942 QZTGAPIRNFIRHI-SNVBAGLBSA-N 490.042 5.957 50 10 JKGE COc1c(Br)cc(C)c([C@@H](Br)[C@@H]2C[C@@H]2Br)c1Br 2301502708 OQHBYSCRJBAUDO-FWWHASMVSA-N 491.843 5.748 50 10 JKGE C[C@@H]1CCC[C@@H](Br)[C@H]1Cc1ccc(I)c(Br)c1 2306200226 VQWISACVFQVRER-ADEWGFFLSA-N 472.002 5.796 50 10 JKGE CCOc1ccc(NC(=O)C(C#N)=Cc2cc(Br)ccc2OCc2ccc(F)cc2)cc1 2313676711 WJVCGJRATJYIIS-UHFFFAOYSA-N 495.348 6.112 50 10 JKGE CCOc1ccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)C=Cc4ccc(C)cc4)ccc32)cc1OCC 2314634394 MFCIATNSNUQVHA-LJAQVGFWSA-N 496.563 5.629 50 10 JKGE CC(C)Oc1c(Cl)cc(C=NNC(=O)c2nn(-c3ccccc3)c3c2CCC3)cc1Cl 2318417989 MJNWKNSVHPQOLV-UHFFFAOYSA-N 457.361 5.219 50 10 JKGE Clc1cc(Cl)cc(CC[C@H](Br)c2csc(I)c2)c1 2318647570 KZNBBKIGNNQOSZ-LBPRGKRZSA-N 476.004 6.728 50 10 JKGE COc1ccc(C(C#N)=Cc2ccc(OC(=O)c3ccc(Cl)c(Cl)c3)cc2)cc1OC 2320507226 GARBSADOHLTGGY-UHFFFAOYSA-N 454.309 6.294 50 10 JKGE CCOc1cc(C=NNC(=O)c2c(C)ccc3ccccc23)cc(Br)c1OCC 2323675343 DQLUJTPZRBIDML-UHFFFAOYSA-N 455.352 5.472 50 10 JKGE CC1(C)[C@@H](CBr)CCN1Cc1ccc(I)c(Br)c1 2325206915 LZSONVFQTXMDQK-LLVKDONJSA-N 487.017 5.049 50 10 JKGE Cc1ccc2c(c1)nc(C(C#N)=Cc1ccc(N3N=C(c4ccccc4)C[C@@H]3c3ccccc3)cc1)n2C 2331019257 DLJPVUYIISJEQK-JGCGQSQUSA-N 493.614 7.302 50 10 JKGE CCn1c(C(C#N)=Cc2cccc(OC)c2OCc2ccc(Br)cc2)nc2ccccc21 2331071852 PQVWAYIJKRQFNB-UHFFFAOYSA-N 488.385 6.470 50 10 JKGE COc1ccc(-c2csc(C(C#N)=C(O)c3ccc4c(c3)C(=O)N(C3CCCCC3)C4=O)n2)cc1 2331273746 PREOWYOCQQRFHE-UHFFFAOYSA-N 485.565 5.697 50 10 JKGE Cc1cc(OCCCC(O)=C(C#N)c2nc(-c3ccc([N+](=O)[O-])cc3)cs2)cc(C)c1Cl 2331281578 QATNGPSVYWGYDX-UHFFFAOYSA-N 469.950 6.640 50 10 JKGE CC[C@H](C)N1C(=O)c2ccc(C(O)=C(C#N)c3nc(-c4cc(C)ccc4OC)cs3)cc2C1=O 2331322979 PSPJIKPVGYXZHG-HNNXBMFYSA-N 473.554 5.472 50 10 JKGE CCOc1cc(C(O)=C(C#N)c2nc(-c3ccc(C)c(C)c3)cs2)cc(OCC)c1OCC 2331382314 UIRGHWQYSLJSOW-UHFFFAOYSA-N 464.587 6.573 50 10 JKGE COc1ccc(-c2csc(C(C#N)=Cc3cc(Br)c(OC(C)C)c(OC)c3)n2)cc1 2331431448 GTAZKEIWNBEHFB-UHFFFAOYSA-N 485.403 6.441 50 10 JKGE COc1cc(C=C(C#N)c2nc(-c3cccc(Cl)c3)cs2)ccc1OC(=O)c1ccccc1 2331440237 SCUZZLWRMOWNLJ-UHFFFAOYSA-N 472.953 6.755 50 10 JKGE COc1cc(C=C(C#N)c2nc(-c3cc(Cl)ccc3Cl)cs2)ccc1OCc1ccccc1 2331488736 ULQKCKLNNSKSQJ-UHFFFAOYSA-N 493.415 7.769 50 10 JKGE FC1(F)[C@@H]([C@H](Br)c2ccc(OCc3ccccc3)cc2Br)C12CCCC2 2336041543 OUPNNKRCRIXMIN-MOPGFXCFSA-N 486.194 7.290 50 10 JKGE CC1([C@H](Br)c2ccc(OCc3ccccc3)cc2Br)CCCCCCC1 2336080476 ZHZTZNLCJYITHH-JOCHJYFZSA-N 480.284 8.215 50 10 JKGE Fc1cc([C@H](Cl)c2ccc(OCc3ccccc3)cc2Br)c(F)cc1Cl 2336080613 LFRNPWBVKKBXJG-HXUWFJFHSA-N 458.129 7.288 50 10 JKGE CCCc1sc(Br)cc1[C@H](Cl)c1cccc(C)c1I 2338025823 MDKHWTOWILMKFV-CQSZACIVSA-N 469.613 6.704 50 10 JKGE Cc1cc(Br)c(F)c(Br)c1[C@H](Br)C1(C)CCOCC1 2339655718 GPJSEXNWVXVYSV-ZDUSSCGKSA-N 458.991 5.912 50 10 JKGE Cc1cc(Br)c(F)c(Br)c1[C@H](Cl)c1cccc(OCc2ccccc2)c1 2339687110 RELJPXOGOPAHEQ-HXUWFJFHSA-N 498.617 7.566 50 10 JKGE C[C@H](Br)CN(Cc1c(Br)cccc1Br)C1CCCC1 2342935199 PESIXSTUTBALEN-NSHDSACASA-N 454.044 5.740 50 10 JKGE CC(C)(C)[C@@](C)(CBr)COCc1cc(Br)cc(Br)c1 2352108712 YFTWVNQBESXREG-HNNXBMFYSA-N 457.044 6.176 50 10 JKGE Fc1cc(Br)c(F)c(Br)c1[C@@H](Br)[C@]12COC[C@H]1C2(F)F 2359721702 GLJCORIEMDACCV-PFZYVWIYSA-N 482.891 5.208 50 10 JKGE BrCc1cc(Br)cc(Br)c1OC(CC1CC1)CC1CC1 2360284072 QCNCHTATIULIBT-UHFFFAOYSA-N 467.039 6.454 50 10 JKGE Cc1cc(Br)cc([C@H](Cl)c2c(C)cc(Br)c(F)c2Br)c1 2365187602 BUPMEURMGURPIP-AWEZNQCLSA-N 485.416 7.058 50 10 JKGE CC(C)[C@@H](Br)C(C)(C)CN(C)Cc1c(Br)cccc1Br 2365898415 JDCJRJGPSJILSU-OAHLLOKOSA-N 470.087 6.089 50 10 JKGE Cc1oc(Br)cc1[C@H](Br)c1cc2c(cc1Br)OCCC2 2369641398 YTXVSOXFDAIZGM-HNNXBMFYSA-N 464.979 5.922 50 10 JKGE CCOC(=O)/C(C#N)=C\c1cn(-c2ccccc2)nc1-c1ccc(OCc2ccccc2Cl)cc1 33375096 WTPBIKPKCQFPEE-JWGURIENSA-N 483.955 6.242 50 10 JKGE CCOc1cc(/C=C(/C#N)C(=O)Nc2ccc([N+](=O)[O-])cc2)ccc1OC(=O)c1ccc(C)cc1 35085209 QDDNXDRFKXFJJT-ZHZULCJRSA-N 471.469 5.067 50 10 JKGE C[C@@H](Oc1ccccc1F)C(=O)Oc1ccc2c(c1)OC(N)=C(C#N)[C@H]2c1ccc(Cl)c(Cl)c1 38655909 DOULGPJZEZZIFY-ZLOXQWCVSA-N 499.325 5.724 50 10 JKGE CCCOc1ccccc1[C@H]1C(C#N)=C(N)Oc2cc(OC(=O)COc3ccc(CC)cc3)ccc21 38681778 OFIZNRGADGTZOP-MUUNZHRXSA-N 484.552 5.240 50 10 JKGE CCCCOc1ccccc1C(=O)Oc1ccc2c(c1)OC(N)=C(C#N)[C@H]2c1cccc(OCCC)c1 38684500 SQPZEDHYFIZYEA-NDEPHWFRSA-N 498.579 6.092 50 10 JKGE COc1ccc(OC)c([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4oc5ccccc5c4C)ccc32)c1 38688739 LUYPYAJBDRYTAX-VWLOTQADSA-N 482.492 5.196 50 10 JKGE COc1ccc(C(=O)NNC(=O)CCCc2c(-c3ccc4ccccc4n3)[nH]c3ccc(C)cc23)cc1 39867316 KXLVPGGFOYLMHR-UHFFFAOYSA-N 492.579 5.484 50 10 JKGE CCCCCOc1ccc(/C=C2/C(=O)N(Cc3ccc(OC)cc3)C(=O)C(C#N)=C2C)cc1OC 40514688 DKKMODKNVHLHGB-HZHRSRAPSA-N 474.557 5.065 50 10 JKGE CCOc1cccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)[C@H](C)Oc4ccc(CC)cc4)ccc32)c1 40530188 VSOSZXIJIMMJCE-MYUZEXMDSA-N 484.552 5.239 50 10 JKGE CCOc1cc(/C=C(/C#N)C(=O)Nc2cccc(C)c2C)ccc1OCc1cccc(Cl)c1 59202110 HPXCQMWYSOFUKG-XKZIYDEJSA-N 460.961 6.480 50 10 JKGE Cc1ccc(COc2c(Cl)cc(/C=N/NC(=O)c3cc4ccccc4o3)cc2Cl)cc1 59304789 DUBFTNXBGDASOR-UVHMKAGCSA-N 453.325 6.391 50 10 JKGE O=C(N/N=C(/CSc1nc2ccccc2s1)c1cccc(Br)c1)c1ccccc1 59460634 BOLCIWVIYNBXOR-PLRJNAJWSA-N 482.428 5.985 50 10 JKGE CCOc1cc(/C=C(/C#N)C(=O)NCc2ccco2)ccc1OCCOc1ccc(C(C)(C)C)cc1 96501526 IDCJRKFDQBZGDQ-XLNRJJMWSA-N 488.584 5.657 50 10 JKGE COc1cc(/C=C(/C#N)c2nn(-c3ccccc3)c(N)c2C#N)ccc1OCc1c(F)cccc1Cl 96602796 UUNORKXLYNUXEE-PDGQHHTCSA-N 499.933 5.770 50 10 JKGE CCC[C@H](CBr)COc1c(Br)cc([N+](=O)[O-])cc1Br 96871051 UOFVNISPQILBBA-MRVPVSSYSA-N 459.960 5.310 50 10 JKGE CC1CCC(NC(=O)[C@@H](c2ccc(F)cc2)N(CCc2ccc(Cl)cc2)C(=O)CCl)CC1 97914713 WQKPJLNGOOAHIH-VJTJOGOTSA-N 479.423 5.525 50 10 JKGE COc1cc(/C=C(/C#N)C(=O)c2ccc(C)cc2)ccc1OCc1ccc(Cl)cc1Cl 98031163 GYBQKEICBACDCJ-JAIQZWGSSA-N 452.337 6.679 50 10 JKGE CCCCCCCCCCCCCC(=O)NNC(=O)c1ccc(NC(=O)C2CCCCC2)cc1 100443046 WTNLLRVDXVJKTD-UHFFFAOYSA-N 471.686 6.668 50 10 JKGE CC1=C(C#N)C(=O)N([C@@H](C)c2ccccc2)C(=O)/C1=C/c1ccc(-c2cccc(Cl)c2Cl)o1 101337811 ZOGCHBFEPNXSDJ-UOEVCUDDSA-N 477.347 6.607 50 10 JKGE CCOC(=O)c1c(N/C=C(/C#N)c2nc(-c3ccc4ccccc4c3)cs2)sc2c1CCCC2 102465120 BSUIELPIGALVOF-HKWRFOASSA-N 485.634 7.057 50 10 JKGE COc1c(Br)cc(Cl)cc1[C@@H](Cl)c1ccccc1I 104021879 ZWWPSWLWYUIRFR-ZDUSSCGKSA-N 471.947 6.044 50 10 JKGE COc1c(C)cc(Br)c(C)c1[C@@H](Br)c1ccc(Br)cc1 125704485 QVDVWQMDVPSOEL-HNNXBMFYSA-N 463.007 6.321 50 10 JKGE Brc1cc([C@H](Br)c2cc3ccccc3s2)sc1Br 128199376 LIIKBPWWFWQTSC-GFCCVEGCSA-N 467.045 6.972 50 10 JKGE Cc1ccccc1C(CBr)(CBr)Cc1cncc(Br)c1 169003599 ZHFSCAHUISJLFI-UHFFFAOYSA-N 462.023 5.423 50 10 JKGE CCOCCCN1C(=O)C(C#N)=C(C)/C(=C/c2cn(-c3ccccc3)nc2-c2ccc(C)c(F)c2)C1=O 214297642 FLDAAOXRXGORLW-IWIPYMOSSA-N 498.558 5.006 50 10 JKGE COc1ccc([C@@H](Br)c2cccc(Br)c2)c(OC)c1Br 224855908 OMPNEOQXZMBLGL-ZDUSSCGKSA-N 464.979 5.713 50 10 JKGE Brc1cc([C@@H](Br)Cc2ccc3ccccc3n2)c(Br)s1 232477744 AFZGWHAZACYMOV-LBPRGKRZSA-N 476.031 6.500 50 10 JKGE O=C(NN=Cc1cccc2ccccc12)c1ccc2c(c1)CN(c1cccc(C(F)(F)F)c1)C2 252638310 YBAXZDFWRPXMLY-UHFFFAOYSA-N 459.471 6.143 50 10 JKGE CCC(=O)Nc1ccc(C(C)=NNC(=O)c2cc(-c3ccc(O)cc3)nc3ccccc23)cc1 254351391 VXUVNSLSAPGCLC-UHFFFAOYSA-N 452.514 5.110 50 10 JKGE COc1cccc(C(C)=NNC(=O)CSc2nnc(SCc3cccc4ccccc34)s2)c1 254555774 JGBFYUYMBKSNIM-UHFFFAOYSA-N 494.667 5.625 50 10 JKGE Cc1cc(C)c([C@H](Cl)c2cccc(C)c2I)c(C)c1Br 312500016 ZQABFVCFYTYMMU-MRXNPFEDSA-N 463.584 6.616 50 10 JKGE C[C@@H](Br)C[C@H]1CCCCCN1C(=O)c1cc(Br)c(Br)s1 312860317 QRAPIOXATOWYOD-NXEZZACHSA-N 488.083 5.831 50 10 JKGE Cc1cc(Br)c([C@@H](Br)c2cc(Br)c(C)s2)cc1Cl 385155496 KBNRVYZUATXUHZ-CYBMUJFWSA-N 473.455 7.028 50 10 JKGE COc1cc(C)c(Br)cc1[C@H](Br)c1cscc1Br 404709050 LJWAWLBHLZXOBL-ZDUSSCGKSA-N 455.009 6.074 50 10 JKGE Fc1cc(Br)c([C@@H](Br)c2cscc2Br)c(F)c1F 404796406 IDWVCBASZMSUIF-VIFPVBQESA-N 464.926 6.175 50 10 JKGE CC(C)(C)[Si](C)(C)OCCN1CCOC[C@@H](c2cccc(CO[Si](C)(C)C(C)(C)C)c2)C1 616660748 OHYMJZJLQTVHFV-DEOSSOPVSA-N 479.854 6.646 50 10 JKGE COCc1cc(Br)c([C@@H](Cl)c2cc(Br)c(Br)s2)s1 688115860 RSMJOOZMSSSIQT-VIFPVBQESA-N 495.483 6.572 50 10 JKGE CC1(C)C[C@H]([C@H](Br)c2cc(Br)c(Br)s2)C(C)(C)O1 710053903 LKTWPGWAEBHAHM-XCBNKYQSSA-N 461.057 6.303 50 10 JKGE Cc1ccc([C@H](Br)c2ccc(I)c(Br)c2)cc1C 721592161 FNRNBLHSHZVPIF-HNNXBMFYSA-N 479.981 6.155 50 10 JKGE CCc1ccc(NC(=O)/C(C#N)=C\c2cc(Cl)ccc2OCc2ccc(Cl)cc2)cc1 1083896586 IYTMRWQERRUNSQ-MOSHPQCFSA-N 451.353 6.680 50 10 JKGE Cc1ccc(-c2ccccc2)n1-c1ccc(C(=O)NN=Cc2ccc(-c3ccccc3)cc2)cc1 1083924600 HFCBPLAZUIOLDU-UHFFFAOYSA-N 455.561 6.884 50 10 JKGE Cc1cc(C=NNC(=O)COc2ccc(Cl)cc2Cl)c(C)n1-c1ccccc1Cl 1084070076 DRHOTPSJQGMQJU-UHFFFAOYSA-N 450.753 5.583 50 10 JKGE C=CCOc1c(Cl)cc(/C=C(\C#N)C(=O)Nc2cccc(Cl)c2Cl)cc1OCC 1084496153 MADVCLWNRFSDBT-NTEUORMPSA-N 451.737 6.156 50 10 JKGE CCCOc1ccc([C@@H]2CN(C(=O)OCc3ccccc3)C[C@@H]2CI)cc1 1614614639 CMXBMNDVUGLDRJ-FPOVZHCZSA-N 479.358 5.263 50 10 JKGE CCc1ccc(NC(=O)c2oc3c(c2C)C(=NNC(=O)c2ccc(Cl)c([N+](=O)[O-])c2)CCC3)cc1 1772747956 MIURQMLAUSVONP-UHFFFAOYSA-N 494.935 5.435 50 10 JKGE Cc1c(C(=O)Nc2nc3ccccc3s2)oc2c1C(=NNC(=O)c1ccc3ccccc3n1)CCC2 1772750951 DLQLLWJOIFCCRY-UHFFFAOYSA-N 495.564 5.469 50 10 JKGE COc1ccc(-c2nn(-c3ccc(Br)cc3)c3c2[C@@H](c2ccccc2)C(C#N)=C(N)O3)cc1 1865680582 OXBQHHLKCWEEDR-QFIPXVFZSA-N 499.368 5.529 50 10 JKGE COc1ccc(-c2nn(-c3cccc(Cl)c3)c3c2[C@@H](c2cccc(Cl)c2)C(C#N)=C(N)O3)cc1 1865684379 XWCOUBFKANCUTD-QFIPXVFZSA-N 489.362 6.073 50 10 JKGE Cc1nn(Cc2ccc(Cl)c(Cl)c2)c2c1[C@H](c1ccc(C(C)C)cc1)C(C#N)=C(N)O2 1865686342 VAANGTZNCUYATB-JOCHJYFZSA-N 453.373 5.888 50 10 JKGE CCCCOc1ccc([C@H]2C(C#N)=C(N)Oc3c2c(CC)nn3Cc2cc(C)ccc2C)cc1 1865689877 FOZQRRSKZDLZAR-VWLOTQADSA-N 456.590 5.508 50 10 JKGE CCCCCOc1ccc([C@@H]2C(C#N)=C(N)Oc3c2c(CCC)nn3Cc2cccc(F)c2)cc1 1865690346 OZYSYCDFMQSWNK-RUZDIDTESA-N 474.580 5.810 50 10 JKGE CCCCOc1ccc([C@H]2C(C#N)=C(N)Oc3c2c(CC)nn3Cc2cccc(F)c2)cc1OC 1865696287 DECYKYIRZGUSNO-DEOSSOPVSA-N 476.552 5.039 50 10 JKGE COc1cccc([C@@H]2C(C#N)=C(N)Oc3c2c(C)nn3Cc2ccccc2)c1OCc1cccc(C)c1 1865705072 LGZMUYWASSIKOE-HHHXNRCGSA-N 492.579 5.354 50 10 JKGE CCc1ccc([C@@H]2C(C#N)=C(N)Oc3c2c(-c2ccccc2)nn3-c2ccc(Br)cc2)cc1 1865708834 HBQQFBGYMITWSF-HSZRJFAPSA-N 497.396 6.082 50 10 JKGE COc1ccc(-c2nn(-c3cccc(Cl)c3)c3c2[C@H](c2ccccc2C)C(C#N)=C(N)O3)cc1 1865712544 BCHLILMNCKJYFQ-HSZRJFAPSA-N 468.944 5.728 50 10 JKGE Cc1ccccc1[C@@H]1C(C#N)=C(N)Oc2c1c(C(F)(F)F)nn2-c1ccc(Br)cc1 1865712595 CKANDWJCPIKPMJ-MRXNPFEDSA-N 475.268 5.180 50 10 JKGE CCc1cccc(CC)c1N1C[C@@H](/C(O)=C(\C#N)c2nc(-c3ccc4c(c3)CCCC4)cs2)CC1=O 1872745451 NJVKZGRQVXAATB-MSJKFPMMSA-N 497.664 6.659 50 10 JKGE Cc1cc(-c2csc(/C(C#N)=C(\O)CNC(=O)c3ccc(Cl)cc3Cl)n2)ccc1F 1872749952 PIKVXFQKSJKOMK-CYVLTUHYSA-N 462.333 5.787 50 10 JKGE COc1c(Cl)cc(Cl)cc1-c1csc(/C(C#N)=C/c2ccc(Br)cc2)n1 1872792725 OCOIZQMIWBFKRM-WUXMJOGZSA-N 466.187 6.952 50 10 JKGE CC[C@H](C)[C@H](/C(O)=C(\C#N)c1nc(-c2ccc(F)cc2F)cs1)N1C(=O)c2ccccc2C1=O 1872818051 KXBGCGPGXLIVQB-MCUCDYOISA-N 479.508 5.592 50 10 JKGE C[C@H](CCBr)N(Cc1ccccc1)S(=O)(=O)c1cccc(C(F)(F)F)c1 1915095642 ZKMBHTALBLAEGK-CQSZACIVSA-N 450.320 5.070 50 10 JKGE Cc1cc([C@H](Br)c2ccc(Br)c3ccccc23)oc1Br 1917612458 MGJYPYATSRXROC-OAHLLOKOSA-N 458.975 6.751 50 10 JKGE Brc1ccc([C@@H](Br)Cc2ccncc2Br)c(Br)c1 1924052338 MDWJUHIEPOQHGE-NSHDSACASA-N 498.838 6.048 50 10 JKGE C[C@H](C[C@H](Cl)c1c(Br)sc(Br)c1Br)C(F)F 1924569256 SDKODIXIMOASJN-DMTCNVIQSA-N 461.391 6.607 50 10 JKGE Cc1cccc([C@@H](Cl)c2c(Br)sc(Br)c2Br)c1F 1924585644 OAFSJXMMBQBNJG-SECBINFHSA-N 477.418 6.811 50 10 JKGE O=C(O)C[C@H](CCCC[C@@H]1CCSS1)CNC(=O)OCC1c2ccccc2-c2ccccc21 1951422493 HWVZIFZCLZSZOR-RBUKOAKNSA-N 485.671 6.330 50 10 JKGE C[C@@H]1C[C@]2([C@H](Br)c3c(Br)sc(Br)c3Br)C[C@@H]12 1977062252 KHXKYTZPMCHXDX-OXCGOHFHSA-N 493.884 6.518 50 10 JKGE Cc1cc([C@@H](Cl)c2c(Br)sc(Br)c2Cl)sc1Cl 2000998050 KZLZZOSCXBKWMB-ZCFIWIBFSA-N 455.451 7.278 50 10 JKGE FC1(F)CCOC[C@@H]1[C@@H](Br)c1sc(Br)cc1Br 2001817759 AWPKXNCDYITSQO-SVGQVSJJSA-N 454.956 5.381 50 10 JKGE C[C@H](Cl)c1nc2cc(I)ccc2n1[C@@H]1CC[C@H]1OCc1ccccc1 2038729446 OXNIMXWMWRVROH-MJXNMMHHSA-N 466.750 5.861 50 10 JKGE C[C@]1([C@H](Br)c2cc(Br)c(Br)s2)CCCCC1(F)F 2048987793 OZRFQJMLRJZRJZ-MWLCHTKSSA-N 467.011 6.925 50 10 JKGE CC1([C@@H](Cl)c2c(Br)sc(Br)c2Br)CCCCCC1 2052514005 ZUTPXQKAILKKRQ-JTQLQIEISA-N 479.503 7.676 50 10 JKGE FC(F)(F)CC1([C@@H](Cl)c2c(Br)sc(Br)c2Br)CC1 2056619631 VQXIKXKOYCTVMU-LURJTMIESA-N 491.392 7.048 50 10 JKGE O=S(=O)(c1cc(CBr)c(Cl)cc1Cl)N(Cc1ccccc1)C1CCC1 2059290358 ZVLQJAHHMGOMFN-UHFFFAOYSA-N 463.224 5.632 50 10 JKGE COc1c(Cl)cc(Br)cc1[C@@H](Br)c1cc(Br)cs1 2082857251 SJKMNOLKDPLCDV-LLVKDONJSA-N 475.427 6.419 50 10 JKGE COc1ccsc1[C@@H](Br)c1ccc(Br)c(C)c1Br 2083337623 JYKSTUFYEPZBNQ-LBPRGKRZSA-N 455.009 6.074 50 10 JKGE Cn1cc(Br)c(COc2c(Br)cc(CCl)cc2Br)n1 2087325052 IEDVAJHHKJYHFT-UHFFFAOYSA-N 473.390 5.025 50 10 JKGE Clc1cc(CBr)ccc1OCc1ccc(Br)cc1Br 2092268732 ZWJNCXQOQALYKC-UHFFFAOYSA-N 469.398 6.339 50 10 JKGE Clc1cc(Br)ccc1CC[C@H](Br)c1ccc(Br)cc1 2113490713 GPDIXAXBLZVLHB-AWEZNQCLSA-N 467.426 6.934 50 10 JKGE C[C@@H](CCCCCI)NC(=O)c1cc(Br)ccc1Cl 2117895218 QBRVMUSRXBLLJK-JTQLQIEISA-N 458.565 5.216 50 10 JKGE C[C@@]1(C(F)(F)F)C[C@@]1(CBr)Cc1cc(Br)ccc1Br 2118530427 XVSCUSCNTDPYJZ-VXGBXAGGSA-N 464.945 6.108 50 10 JKGE CC(C)CN1C[C@@H](Br)[C@H](Cc2cc(Br)ccc2Br)C1 2118532652 RJTNAZORRJHPTR-IUODEOHRSA-N 454.044 5.105 50 10 JKGE Cc1cc(Br)c(C)c([C@H](Br)[C@@H]2C[C@@H]3C[C@@H]3CO2)c1Br 2136375077 RQXFMRBUFSPBOZ-NPZRNVLXSA-N 453.012 5.689 50 10 JKGE Cc1cc(F)c(Cl)cc1[C@@H](Br)c1cccc(C)c1I 2137071886 VKPUJBDVHKICOG-AWEZNQCLSA-N 453.520 6.185 50 10 JKGE CC12CC(COc3c(Br)cc(Br)cc3CBr)(CO1)C2 2138020252 FELSZVSFMGHTRW-UHFFFAOYSA-N 454.984 5.054 50 10 JKGE Cc1c(Br)ccc([C@@H](Cl)Cc2cccc(Br)c2)c1Br 2138859741 CGUGLMZXQYAQNF-AWEZNQCLSA-N 467.426 6.805 50 10 JKGE FC(F)(F)c1ccc([C@H](Br)c2ccc(Br)cc2Br)o1 2138861030 CVCULHYIEIVFCY-LLVKDONJSA-N 462.885 6.308 50 10 JKGE Cc1c(Br)ccc([C@H](Cl)c2ccc(Br)cc2Cl)c1Br 2138868089 ZOBSUUVODSWMSA-CQSZACIVSA-N 487.844 7.264 50 10 JKGE Cc1cc([C@H](Br)c2ccc(Br)c(C)c2Br)ccc1F 2138876181 MUWFTDJFWZDJDN-HNNXBMFYSA-N 450.971 6.452 50 10 JKGE CC(C)[C@@H]1CC[C@@H](Br)[C@H](Cc2ccc(I)c(Cl)c2)C1 2142954232 VZGDFWSSEWSALF-MGPQQGTHSA-N 455.605 6.323 50 10 JKGE BrCc1ccc(N2CCCc3c(Br)cccc32)c(Br)c1 2145026752 AWSUWRRGRMXFBJ-UHFFFAOYSA-N 460.007 6.191 50 10 JKGE COc1cc(Br)c(C)cc1[C@H](Cl)c1cc(Br)cc(Br)c1 2145954858 FDMSYXPAGFZKJZ-OAHLLOKOSA-N 483.425 6.619 50 10 JKGE BrC[C@@]12CCCC[C@H]1N(c1ncc(Br)cc1Br)CCC2 2165239436 CUGKELBGPXWQGO-HIFRSBDPSA-N 467.043 5.531 50 10 JKGE ClCc1nc2cc(Cl)c(Br)cc2n1[C@H]1CCCN(Cc2ccccc2)CC1 2168999880 YUVKTUGWAYZXKN-INIZCTEOSA-N 467.238 6.418 50 10 JKGE C[C@H](CC(CBr)(CBr)c1ccc(Br)cc1)OC(C)(C)C 2192206462 IPYFVIVMHTVFBO-GFCCVEGCSA-N 471.071 6.070 50 10 JKGE CC1(C)C[C@@](C)(CBr)CN1C(=O)c1cc(Br)ccc1Br 2199543761 ZIAHIXGJIUYISW-HNNXBMFYSA-N 468.027 5.237 50 10 JKGE COCC1([C@H](Br)c2c(C)c(Br)cc(C)c2Br)CCCC1 2201066872 FVCHCNXXOAKPKS-OAHLLOKOSA-N 469.055 6.471 50 10 JKGE C[C@@H]1CN(Cc2ccccc2)C[C@@H]1n1c(CCl)nc2cc(Br)c(Br)cc21 2225702980 UCMHCYIXYHFCSR-YJYMSZOUSA-N 497.662 5.993 50 10 JKGE Cc1cc(Br)c([C@@H](Br)[C@@H](C)C2CCCC2)c(C)c1Br 2227348168 MCGCVFMUZJUHBE-QFYYESIMSA-N 453.056 7.091 50 10 JKGE Fc1cc(F)c([C@H](Br)c2ccccc2OCc2ccccc2)c(F)c1Br 2227799244 DNCHNFYLHIQPFK-GOSISDBHSA-N 486.125 6.930 50 10 JKGE Cc1cc(Br)c([C@H](Br)C[C@@H]2COC(C)(C)C2)c(C)c1Br 2235598775 JHGITJNHAHDESY-WCQYABFASA-N 469.055 6.470 50 10 JKGE Cc1cc(Br)c([C@@H](Br)Cc2ccccc2Cl)c(C)c1Br 2235604639 OORVEYCZARNEKU-ZDUSSCGKSA-N 481.453 7.161 50 10 JKGE N#CC(=C(Cl)c1cc(Br)ccc1I)c1cnsc1 2258909986 UFBRGDXXLDLRPL-UHFFFAOYSA-N 451.514 5.141 50 10 JKGE Fc1cc(C[C@@H](Br)c2csc(Br)c2Br)ccc1Cl 2263386599 XDGKHLLXWFCSKW-MRVPVSSYSA-N 477.418 6.744 50 10 JKGE Cc1cc([C@H](Br)c2c(F)cccc2I)c(Cl)cc1F 2267659672 MOIGAXHLQPJZFL-AWEZNQCLSA-N 457.483 6.016 50 10 JKGE COc1c([C@@H](Br)c2cc(Br)sn2)cc(Br)c(C)c1C 2269111130 QBSWYKMXTGCWIV-GFCCVEGCSA-N 470.024 5.778 50 10 JKGE Brc1cc(Br)cc([C@H](Br)c2ccc(C3CCC3)s2)c1 2271972756 KHXMMWKZLRURJS-HNNXBMFYSA-N 465.048 7.025 50 10 JKGE O=C(c1csc(Br)c1Br)N1CCC(CCCCBr)CC1 2283128573 ZIDSXMKSEIXTJV-UHFFFAOYSA-N 488.083 5.691 50 10 JKGE COc1cc(C=C(C#N)c2nc(-c3cc4c(ccc5ccccc54)oc3=O)cs2)ccc1O 2293116066 SMQDLLQBBUCTRA-UHFFFAOYSA-N 452.491 5.848 50 10 JKGE Cc1cc(C=C(C#N)C(=O)NCc2ccccc2)c(C)n1-c1ccc(Br)cc1F 2294175229 GDXGLUXDPCNSKE-UHFFFAOYSA-N 452.327 5.219 50 10 JKGE CC(C)(C)OC(=O)NC[C@@H]1CN(CCCCCCCBr)CC[C@@H]1C(F)(F)F 2294698134 GLUFEDHODFYNGY-CVEARBPZSA-N 459.391 5.357 50 10 JKGE Fc1cc([C@H](Br)Cc2cc(Br)cc(Br)c2)c(F)cc1Cl 2295337640 MNQSMXAEFQJNTL-LLVKDONJSA-N 489.379 6.822 50 10 JKGE N#CC(=Cc1ccccc1OCc1cccc(C(F)(F)F)c1)C(=O)NCCc1ccccc1 2295672380 SCYDYXPXODRKJT-UHFFFAOYSA-N 450.460 5.550 50 10 JKGE CCCOc1ccc(-c2nn(-c3ccccc3)cc2C=C(C#N)C(=O)Nc2ccc(C)cc2)cc1C 2296729573 YZYILCYTVGNJSV-UHFFFAOYSA-N 476.580 6.491 50 10 JKGE N#CC(=CNc1cccc(C(F)(F)F)c1)c1nc(-c2cc3cc([N+](=O)[O-])ccc3oc2=O)cs1 2296751274 HMCYFQGAAOJGLJ-UHFFFAOYSA-N 484.415 5.820 50 10 JKGE FC(F)c1cscc1[C@@H](Br)c1sc(Cl)cc1I 2301087569 ZMCDTQFEMGSTGZ-MRVPVSSYSA-N 469.541 6.490 50 10 JKGE Cc1c(Br)sc([C@@H](Br)[C@@H]2C[C@H]2C2CCCC2)c1Br 2311500205 XNMIFHFYUOLXBV-UMNHJUIQSA-N 457.069 6.844 50 10 JKGE CN(C)C(=O)C(C#N)=Cc1cc(-c2ccccc2)n(-c2ccc(Cl)cc2)c1-c1ccccc1 2313567915 POVSLALFIHTWKR-UHFFFAOYSA-N 451.957 6.460 50 10 JKGE COc1ccc(CNC(=O)C(C#N)=Cc2ccccc2OCc2ccc(Br)cc2)cc1 2313671111 FYEHRTYGOQJSTC-UHFFFAOYSA-N 477.358 5.260 50 10 JKGE Cc1cccn2c(=O)c(C=C(C#N)C(=O)Nc3ccc(Cl)cc3)c(Oc3ccc(F)cc3)nc12 2314533911 VFFIRPUCVFWDBG-UHFFFAOYSA-N 474.879 5.133 50 10 JKGE CC1=C(C#N)C(=O)N(CC(C)C)C(=O)C1=Cc1ccc(OCc2ccc(Cl)cc2Cl)cc1 2314610030 CHXGNRQFNWBMLP-UHFFFAOYSA-N 469.368 5.821 50 10 JKGE N#CC1=C(N)Oc2cc(OC(=O)C=Cc3ccc(Cl)cc3)ccc2[C@@H]1c1ccc(Cl)cc1 2314634095 LOMAMSRZUQSCBZ-DEOSSOPVSA-N 463.320 5.830 50 10 JKGE CCCOc1ccccc1C=C(C#N)C(=O)Oc1ccc(C(=O)Nc2cc(C)ccc2C)cc1 2314774090 SJNGIODSSUYEJU-UHFFFAOYSA-N 454.526 5.857 50 10 JKGE CCN(C[C@](C)(CI)OCC[C@@H]1CC[C@@H]1C1CC1)C(=O)OC(C)(C)C 2319607613 AIUBTKAWIZVNBS-QKLQHJQFSA-N 465.416 5.280 50 10 JKGE CC(=NNC(=O)c1ccc(-c2ccc(Cl)cc2Cl)nc1C)c1ccc(-c2ccccc2)cc1 2321275944 OIUQTHDVHMDDOF-UHFFFAOYSA-N 474.391 7.185 50 10 JKGE Cc1cccc(NC=C(C#N)C(=O)N2CCN(C(c3ccccc3)c3ccccc3)CC2)c1C 2324602981 LPCXXTJVFIAUEE-UHFFFAOYSA-N 450.586 5.057 50 10 JKGE C[C@@H](Br)[C@@H]1CCCCN1Cc1ccc(I)c(Br)c1 2325214584 PUDBHJMUUHFVOU-YGRLFVJLSA-N 487.017 5.192 50 10 JKGE CCCCCCCCCOc1ccc(C=C(C#N)c2ccc(C(=O)OC(C)C)o2)c(Cl)c1 2331049767 RLNLDRMRGJYMEN-UHFFFAOYSA-N 457.998 7.692 50 10 JKGE CCn1c(C(C#N)=Cc2ccc(N3N=C(c4ccccc4)C[C@H]3c3ccccc3)cc2)nc2ccccc21 2331071704 DUXINBGPTDHIJD-YTTGMZPUSA-N 493.614 7.476 50 10 JKGE Cc1cc(OCC(O)=C(C#N)c2nc(-c3ccc(-c4ccccc4)cc3)cs2)ccc1Cl 2331231788 CDCPTBOUBPVMMC-UHFFFAOYSA-N 458.970 7.311 50 10 JKGE N#CC(=C(O)CNC(=O)c1ccc(Cl)cc1Cl)c1nc(-c2ccccc2Cl)cs1 2331265855 IPEJFANDDWUYIX-UHFFFAOYSA-N 464.761 5.993 50 10 JKGE CC[C@@H](C)[C@@H](C(O)=C(C#N)c1nc(-c2ccc([N+](=O)[O-])cc2)cs1)N1C(=O)c2ccccc2C1=O 2331281428 VYFGMLCFLCHZDO-SZNDQCEHSA-N 488.525 5.222 50 10 JKGE CCCOc1ccc(-c2csc(C(C#N)=C(O)c3ccc(OC)cc3)n2)cc1OCCC 2331293317 WFXUBTWZMRTJHZ-UHFFFAOYSA-N 450.560 6.346 50 10 JKGE CC(C)[C@@H](C(O)=C(C#N)c1nc(-c2ccc(Cl)cc2)cs1)N1C(=O)c2ccccc2C1=O 2331295825 IMILTTFUTBLBFP-FQEVSTJZSA-N 463.946 5.577 50 10 JKGE CCOc1ccc(OCC)c(-c2csc(C(C#N)=C(O)c3cc(OC)c(OC)cc3[N+](=O)[O-])n2)c1 2331376642 BTIGHKYXQJQTFT-UHFFFAOYSA-N 497.529 5.483 50 10 JKGE COc1cc(C=C(C#N)c2nc(-c3ccc([N+](=O)[O-])cc3)cs2)ccc1OC(=O)c1ccccc1 2331434354 QRGDBOGRAUHBCR-UHFFFAOYSA-N 483.505 6.010 50 10 JKGE COc1ccc(C(C)(C)C)cc1-c1csc(C(C#N)=Cc2ccc(OCc3ccccc3)cc2)n1 2331461058 FFLJCUWUFAWMMD-UHFFFAOYSA-N 480.633 7.759 50 10 JKGE Cc1cc(F)c(Br)cc1[C@@H](Cl)c1ccc(OCc2ccccc2)cc1Br 2336047495 MJASOUVKQYOSTK-NRFANRHFSA-N 498.617 7.566 50 10 JKGE Cc1cc(I)c(Oc2ccc(CBr)cc2Cl)cc1Cl 2336558520 JMKMYVZKHMTZKF-UHFFFAOYSA-N 471.947 6.594 50 10 JKGE COc1c(Br)cc(C)c([C@@H](Br)[C@H]2CCCCO2)c1Br 2339652397 YYNSBZNTYXZWQY-PWSUYJOCSA-N 457.000 5.534 50 10 JKGE C[C@H](c1ccncc1F)[C@@H](Br)c1cc(I)ccc1Br 2344691833 HFWLYOHBUAWICW-XLKFXECMSA-N 498.959 5.828 50 10 JKGE Clc1ccc(I)cc1CN1[C@H]2CC[C@@H]1C[C@@H](CBr)C2 2352428105 PRKJKHKHQMIZBI-OJNYZHBWSA-N 454.577 5.083 50 10 JKGE CC(C)n1nc(Br)nc1C[C@H](Br)c1ccc(Br)cc1 2353753325 YCZDXRYYUTUJHG-NSHDSACASA-N 451.988 5.063 50 10 JKGE FCC12CC([C@@H](Br)c3c(Cl)cc(Br)c(F)c3Br)(CO1)C2 2362246505 AMVRMFYXYVDJHT-HIFPTAJRSA-N 495.383 5.959 50 10 JKGE ClC[C@@]12CCCC[C@H]1CN(Cc1ccc(I)c(Br)c1)C2 2377312768 AXTDXACQWPLXGZ-XJKSGUPXSA-N 468.604 5.285 50 10 JKGE N#CC1=C(N)OC2=C(CC/C2=C/c2cccc(Br)c2)[C@H]1c1cccc(Br)c1 1445423 XSZWMKLFBBGEQK-TXRMIHFUSA-N 484.191 6.151 50 10 JKGE O=C(NC1CCCCC1)[C@@H](c1ccccc1F)N(C(=O)CCl)c1ccc(Br)cc1F 3033991 ZXYQJTPOAITQNZ-OAQYLSRUSA-N 499.783 5.489 50 10 JKGE CCOc1ccc(/C=N/NC(=O)[C@@H](CC)Oc2ccc3ccccc3c2Br)cc1 3175281 IQAKUZAIPZWMHR-PXMCARDJSA-N 455.352 5.309 50 10 JKGE CCn1c2ccccc2c2cc(/C=N/NC(=O)c3ccc(NC(=O)c4ccccc4)cc3)ccc21 13982135 GMNMFGCUDVXDOE-NDZAJKAJSA-N 460.537 5.831 50 10 JKGE Cc1ccc(-c2nn(-c3ccccc3)cc2/C=N/NC(=O)[C@@H](C)Oc2cccc(Cl)c2)cc1 20368419 GAVMLXNNUOESGG-UPHQNKNSSA-N 458.949 5.419 50 10 JKGE COc1ccc(/C=N/NC(=O)[C@H]2[C@@H](C=C(Cl)Cl)C2(C)C)cc1CN1CCCc2ccccc21 20615920 WHQVLYOUPIKJII-YMDKCOOMSA-N 486.443 5.689 50 10 JKGE CCSc1ccsc1[C@H]1C(C#N)=C(N)N(c2ccc([N+](=O)[O-])cc2)C2=C1C(=O)CCC2 27550683 KDZRDJGZYZAOAS-IBGZPJMESA-N 452.561 5.073 50 10 JKGE CCOc1cc(/C=C(/C#N)C(=O)Nc2ccc(Cl)cc2C)ccc1OCC(=O)Nc1ccccc1 33417344 CFISCYIDVAWMBI-ZHZULCJRSA-N 489.959 5.610 50 10 JKGE CC(C)OC(=O)c1ccc2ccccc2c1OC(=O)[C@@]12CC[C@@](C)(C(=O)[C@@H]1Br)C2(C)C 33514338 JGYLLRTXKLAGDZ-PNTFMKQHSA-N 487.390 5.469 50 10 JKGE COc1ccccc1NC(=O)/C(C#N)=C/c1ccc(-n2nc(-c3ccccc3)cc2-c2ccccc2)cc1 33568591 FNIMTMSDZDZNIY-LHLOQNFPSA-N 496.570 6.761 50 10 JKGE CCCSc1ccc(-c2nn(-c3ccccc3)cc2/C=C(\C#N)c2nc3ccccc3n2C)cc1 33916088 QEYIOEHUYODGMP-RELWKKBWSA-N 475.621 6.992 50 10 JKGE CC(C)c1ccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4ccccc4Br)ccc32)cc1 38649390 MLJDNCVXVKHZBT-XMMPIXPASA-N 489.369 6.010 50 10 JKGE CCCCOc1ccc(C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@H]3c2cccc(Cl)c2)cc1 38651198 HIHOVVURXVAVCO-VWLOTQADSA-N 474.944 5.956 50 10 JKGE N#CC1=C(N)Oc2cc(OC(=O)c3ccccc3Cl)ccc2[C@H]1c1cccc(Oc2ccccc2)c1 38660772 IODOCLDQYPZENP-HHHXNRCGSA-N 494.934 6.570 50 10 JKGE CCCCCOc1cccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4cccc(Cl)c4)ccc32)c1 38684821 YFQGIEXRYOMQKS-SANMLTNESA-N 488.971 6.346 50 10 JKGE C=CCOc1cccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)C4CCC(CCCC)CC4)ccc32)c1 38701107 DAASAISPRDGGFM-ZAFMFWTISA-N 486.612 6.372 50 10 JKGE N#C/C(=C/c1c(Oc2ccccc2Cl)nc2ccccn2c1=O)C(=O)Nc1ccc(Cl)cc1 39858664 ULFYDJYUDRFLSI-SQFISAMPSA-N 477.307 5.339 50 10 JKGE Cc1ccc(C(C)C)c(OC(=O)c2oc3c(c2C)/C(=N/NC(=O)c2ccc([N+](=O)[O-])cc2)CCC3)c1 40812251 XMFSFJMFEVLMHX-SGWCAAJKSA-N 489.528 5.618 50 10 JKGE COc1cccc(C(=O)N/N=C2\CCCc3oc(C(=O)Nc4ccc(Cl)c(Cl)c4)c(C)c32)c1 40822248 NSERNLZFJICLMQ-TURZUDJPSA-N 486.355 5.626 50 10 JKGE COc1cc(/C=N/NC(=O)c2cccc(C)c2)cc(Br)c1OCc1ccccc1 58871238 BHUVFFLGHPPRCH-AFUMVMLFSA-N 453.336 5.109 50 10 JKGE C[C@H](Oc1ccc(Cl)cc1Cl)C(=O)N/N=C/c1ccccc1OCc1ccc(C(=O)O)cc1 59156479 JKLJUVJUAJPATN-OWAQKBPCSA-N 487.339 5.188 50 10 JKGE N#Cc1ccccc1COc1ccccc1/C=N/NC(=O)c1cc2cc(Br)ccc2o1 59303910 OGEQDPPBQFUWOG-MZJWZYIUSA-N 474.314 5.410 50 10 JKGE O=C(N/N=C/c1cc(Cl)c(OCc2cccc([N+](=O)[O-])c2)c(Cl)c1)c1cc2ccccc2o1 59304714 FKUFGFARAIWSGH-RPPGKUMJSA-N 484.295 5.991 50 10 JKGE N#C/C(=C/c1cc(Cl)cc(Cl)c1OCc1ccc(F)cc1)C(=O)NCc1ccccc1 59306287 LXQOUKNWKJEIHJ-GRSHGNNSSA-N 455.316 5.935 50 10 JKGE Cc1ccc(NCC(=O)N/N=C\c2ccc(Sc3cccc4cccnc34)c([N+](=O)[O-])c2)c(C)c1 59392025 RJQZYOJSXRWLJB-FDVSRXAVSA-N 485.569 5.473 50 10 JKGE C[C@H](c1ccc(Cl)s1)n1c(CCl)nc2cc(I)c(F)cc21 97408819 ZTTRQEBMLUBIIH-SSDOTTSWSA-N 455.123 5.843 50 10 JKGE COc1cc(Br)ccc1[C@@H](Br)c1cc(Cl)c(Br)cc1F 97895781 HHCWSCOCBXWODL-CQSZACIVSA-N 487.388 6.497 50 10 JKGE COc1cccc([C@@H](C(=O)NC2CCCCC2)N(Cc2ccc(Cl)cc2)C(=O)CCl)c1 97915131 ZLUYAJXFXPWKDC-QHCPKHFHSA-N 463.405 5.106 50 10 JKGE CSc1ccc([C@@H](Br)c2cc(Br)ccc2Br)cc1 98021648 RCABIHYNNXXUJJ-CQSZACIVSA-N 451.021 6.418 50 10 JKGE N#C/C(=C/c1ccc(OCCCOc2ccc(Cl)cc2)cc1)C(=O)Nc1nc2ccccc2s1 102443820 SCSRYTZSWXPGJM-MNDPQUGUSA-N 489.984 6.343 50 10 JKGE COc1ccc(/C=C(\C#N)c2nc(-c3cc4cc(Cl)cc(Cl)c4oc3=O)cs2)cc1OC 104975124 HFPCCLHUYUMFFA-LHHJGKSTSA-N 485.348 6.305 50 10 JKGE N#C/C(=C/Nc1ccc(S(N)(=O)=O)cc1)c1nc(-c2ccc(-c3ccccc3)cc2)cs1 106941599 MNCCYRUYFULSCK-HKWRFOASSA-N 458.568 5.101 50 10 JKGE COc1c(C)cc(Br)c(C)c1[C@H](Br)c1cc(Cl)ccc1Cl 125683262 QZFJJHFKLHRZKQ-OAHLLOKOSA-N 453.001 6.866 50 10 JKGE Clc1ccc([C@@H](Br)c2csc3c(Br)cccc23)c(Cl)c1 126315022 VTSAGQLQYRVBEP-CQSZACIVSA-N 451.010 7.455 50 10 JKGE Cc1cc(Br)c([C@H](Br)c2sccc2Cl)cc1Br 128757534 VNUVAHWLDXXBKU-NSHDSACASA-N 459.428 6.719 50 10 JKGE CC[C@H](NC(=O)/C(C#N)=C\Nc1ccc(I)cc1)c1ccc2c(c1)CCCC2 217192492 KQTKNSGTAOKLIL-ZHFOUCBBSA-N 485.369 5.257 50 10 JKGE CCOc1ccc([C@H](Br)c2c(F)cc(Br)cc2F)cc1Br 228994871 NDWFVKNUNNXRHN-HNNXBMFYSA-N 484.960 6.373 50 10 JKGE Cc1cc(Br)c([C@H](Br)[C@@H]2CC[C@H]3CCCC[C@@H]3C2)cc1Br 251057713 DPIYHSOVVLRQHC-UHQDVWGKSA-N 479.094 7.563 50 10 JKGE Cc1nn(-c2ccccc2)c(C)c1C=NNC(=O)c1cc(-c2cccs2)nc2ccccc12 252638250 YANZTRCEKDTZDE-UHFFFAOYSA-N 451.555 5.530 50 10 JKGE CCCCOc1ccc(C=NNC(=O)c2ccc(NN=Cc3ccc(OCCCC)cc3)cc2)cc1 254364830 SGUCWRDVCVIFBA-UHFFFAOYSA-N 486.616 6.254 50 10 JKGE CC(=NNC(=O)c1ccc(COc2c(Br)cc(C)cc2Br)cc1)C1CC1 254382690 UTUNMEPKPNJBAL-UHFFFAOYSA-N 480.200 5.615 50 10 JKGE CC(=O)O[C@H]1CC[C@]2(C)[C@@H]3CC[C@]4(C)[C@H]([C@H](C)[C@@H]5O[C@@H]5[C@@H](C)C(C)C)CC[C@@H]4[C@@]34CC[C@@]2(C1)OO4 254396611 TUUMXOVLVDUNHM-HZHMSVPYSA-N 488.709 6.480 50 10 JKGE CCCCCCCCOc1ccc(-c2cc(C(=O)NN=C(C)c3cccc(OCC)c3)[nH]n2)cc1 254492537 JBSJOKSLWGTLSZ-UHFFFAOYSA-N 476.621 6.369 50 10 JKGE CCCOc1ccc(C(=O)Oc2ccc(C=NNC(=O)c3cc4ccccc4cc3O)cc2)cc1 254825699 ONDWBUGOXVZCIS-UHFFFAOYSA-N 468.509 5.317 50 10 JKGE Cc1ccc(OC(=O)[C@@]23CC[C@@](C(Br)Br)([C@H]2Br)C3(C)C)cc1 256020100 XSBMPIFZXOTMSB-OAUYIBNBSA-N 495.049 5.586 50 10 JKGE Cc1cc(C)c([C@H](Br)c2ccccc2I)c(C)c1Br 306056922 VSIAMPMRYJNBCR-MRXNPFEDSA-N 494.008 6.463 50 10 JKGE Fc1cccc2nc(CCl)n(-c3ccc(I)cc3Br)c12 312732920 HPMQYGBBEJECOQ-UHFFFAOYSA-N 465.491 5.271 50 10 JKGE Cc1sc([C@H](Br)c2ccc(OCc3ccccc3)cc2)cc1Br 381936921 VEUQUHLTNGPEJS-LJQANCHMSA-N 452.211 6.882 50 10 JKGE ClCc1nc2cc(I)ccc2n1-c1ccccc1OCc1ccccc1 388292001 WNYDFUORUUKIFD-UHFFFAOYSA-N 474.729 5.948 50 10 JKGE C[C@H](Cl)c1nc2cc(I)ccc2n1[C@H]1CCN(Cc2ccccc2)C[C@@H]1C 397952679 MAMBAMLKOXYKSK-FTRWYGJKSA-N 493.820 6.024 50 10 JKGE C[C@H]1CN(Cc2ccccc2)CC[C@H]1n1c(CCCl)nc2cc(I)ccc21 397981028 XJDXUISMZLJWDF-OXJNMPFZSA-N 493.820 5.505 50 10 JKGE CCCCC[C@H](/C=C/[C@H]1[C@@H]2CC(=O)O[C@@H]2C[C@H]1OC(=O)c1ccccc1)O[Si](C)(C)C(C)(C)C 504694881 HCFDVFAZKOSMJZ-ODJKZRDESA-N 486.725 6.691 50 10 JKGE CC(C)(C)[Si](C)(C)OCCc1ccccc1[C@H]1CCCN1CCO[Si](C)(C)C(C)(C)C 616608312 PLISKYKEUKAASX-XMMPIXPASA-N 463.855 7.410 50 10 JKGE ClCc1nc2ccc(Br)cc2n1-c1cc(Br)cc(Br)c1 690368084 SYVCZARTIBYKJS-UHFFFAOYSA-N 479.397 6.052 50 10 JKGE Fc1ccc([C@@H](Br)c2ccc(Cl)c(Br)c2)c(F)c1Br 691634961 JOBSJQWGCMGECJ-NSHDSACASA-N 475.352 6.628 50 10 JKGE COc1cc([C@H](Br)c2ccsc2Br)c(OC)cc1Br 698575074 JVLGHOVAOKZUSB-GFCCVEGCSA-N 471.008 5.775 50 10 JKGE O=C(COc1ccc(Cl)cc1Cl)NN=C1C(=O)N(Cc2ccccc2Cl)c2ccccc21 1084179789 UUABNLZZAWKGDF-UHFFFAOYSA-N 488.758 5.093 50 10 JKGE Cc1cc(C=NNC(=O)C(=O)Nc2ccc(Cl)c(C(F)(F)F)c2)c(C)n1-c1ccccc1Cl 1084474224 LUQMGKLKCXABLD-UHFFFAOYSA-N 497.304 5.509 50 10 JKGE Cc1cc(OCC(=O)NN=Cc2ccc(OCc3ccccc3Cl)cc2)ccc1Br 1772754037 BFTYSADNKFLQTE-UHFFFAOYSA-N 487.781 5.519 50 10 JKGE O=C(CSc1nc2ccccc2s1)NN=Cc1ccccc1OCc1cccc(Cl)c1 1772760320 BONFACCXRGCDGE-UHFFFAOYSA-N 468.003 5.771 50 10 JKGE CCc1cccc(CC)c1NC(=O)[C@@H](C)Oc1cccnc1NC(=O)Oc1ccc([N+](=O)[O-])cc1F 1858683971 CESSEROCTQPFQS-OAHLLOKOSA-N 496.495 5.271 50 10 JKGE N#CC1=C(N)Oc2c(c(C(F)(F)F)nn2-c2ccc(Cl)c(Cl)c2)[C@H]1c1cccc(Cl)c1 1865684334 WSZHLAOULPSGNR-HNNXBMFYSA-N 485.680 6.069 50 10 JKGE CCOc1cccc([C@@H]2C(C#N)=C(N)Oc3c2c(C(F)(F)F)nn3-c2ccccc2Cl)c1 1865689489 AQHHEGNPHBOPEZ-QGZVFWFLSA-N 460.843 5.161 50 10 JKGE CCCOc1c(OC)cccc1[C@H]1C(C#N)=C(N)Oc2c1c(C(F)(F)F)nn2-c1ccc(C)cc1 1865694003 SUDNEVJMONBCTP-IBGZPJMESA-N 484.478 5.215 50 10 JKGE CCCOc1ccc([C@@H]2C(C#N)=C(N)Oc3c2c(C(F)(F)F)nn3Cc2ccc(F)cc2)cc1 1865694180 QZYMTSBUQQAVLW-LJQANCHMSA-N 472.442 5.096 50 10 JKGE Cc1nn(-c2ccc(Cl)c(Cl)c2)c2c1[C@@H](c1ccc(Cl)c([N+](=O)[O-])c1)C(C#N)=C(N)O2 1865706041 MGLWLJUVFMVJFL-SFHVURJKSA-N 476.707 5.267 50 10 JKGE N#CC1=C(N)Oc2c(c(-c3ccccc3)nn2Cc2ccccc2Cl)[C@H]1c1ccc(C(=O)O)cc1 1865709297 TYJZSKRVUXTNPM-QFIPXVFZSA-N 482.927 5.168 50 10 JKGE COC(=O)c1ccc(/C(C#N)=C/c2cccc(OC)c2OCc2ccc(Cl)c(Cl)c2)o1 1872728734 QHODPSZYEVCNNY-LFIBNONCSA-N 458.297 6.025 50 10 JKGE C[C@@H](Oc1ccc(Cl)cc1Br)/C(O)=C(\C#N)c1nc(-c2ccc(F)c(F)c2)cs1 1872751407 GVGRZNYSBQLZCC-ICHPLGEASA-N 497.748 6.764 50 10 JKGE CCOc1ccc(OCC)c(-c2csc(/C(C#N)=C(\O)Cc3ccc(Br)cc3)n2)c1 1872754964 RMDLEWOLRXZSDT-VZCXRCSSSA-N 485.403 6.405 50 10 JKGE CCCOc1ccc(-c2csc(/C(C#N)=C/c3cccc(OC)c3OCc3cccc(C)c3)n2)cc1 1872791046 SWOLCAHZOIYFBX-KOEQRZSOSA-N 496.632 7.559 50 10 JKGE CCOc1cc(/C=C(\C#N)c2nc(-c3ccc(F)c(C)c3)cs2)ccc1OCc1ccccc1 1872791142 YFFHGKCCRGNQFO-OEAKJJBVSA-N 470.569 7.300 50 10 JKGE CC(C)(C)c1ccc(-c2csc(/C(C#N)=C/c3ccc(OCc4ccccc4Cl)cc3)n2)cc1 1872792284 PRQRISUWOMNEIA-XQNSMLJCSA-N 485.052 8.404 50 10 JKGE N#C/C(=C\c1ccc(OCc2ccccc2Cl)cc1)c1nc(-c2ccc(F)c(F)c2)cs1 1872793425 ZJUDHVKIMADZEJ-YBFXNURJSA-N 464.924 7.385 50 10 JKGE CCc1cccc(C)c1N1C[C@@H](/C(O)=C(\C#N)c2nc(-c3cc(C)ccc3OC)cs2)CC1=O 1873920848 LAJUBJJWZSSNIK-KOAPHTDDSA-N 473.598 5.844 50 10 JKGE C[C@@H](CBr)N(Cc1ccccc1)C(=O)c1ccc(I)c(Cl)c1 1914225840 ARCAVOHKUZSFBH-LBPRGKRZSA-N 492.582 5.370 50 10 JKGE COc1ccc(Br)cc1CN(Cc1ccccc1)C1(CBr)CCC1 1915741490 NMXDDDFJPMPTEV-UHFFFAOYSA-N 453.218 5.778 50 10 JKGE BrCC1(N(Cc2ccccc2)c2nccc3c(Br)cccc23)CCC1 1915762141 FDUPECBXSVREFX-UHFFFAOYSA-N 460.213 6.322 50 10 JKGE Cc1c(Br)sc([C@H](Br)c2ccccc2C(F)(F)F)c1Br 1922885175 ONKKPUCBDKYPSY-SNVBAGLBSA-N 492.980 7.085 50 10 JKGE C[C@@H]1O[C@H](C)[C@H]([C@H](Br)c2c(Br)sc(Br)c2Cl)[C@@H]1C 1923038745 KNPHLHHICLQSIL-WOCMDNMUSA-N 481.475 6.422 50 10 JKGE Fc1cc(Cl)cc([C@H](Cl)c2c(Br)sc(Br)c2Cl)c1F 1923054879 LHSROKGLNJIBKF-ZETCQYMHSA-N 471.375 7.186 50 10 JKGE CCn1ncc(Br)c1[C@H](Br)[C@@H](C)c1ccncc1Br 1924065920 ACVYCWNPRDKFMI-QPUJVOFHSA-N 451.988 5.063 50 10 JKGE O=C(c1cc(Br)c(Cl)s1)N(CCCBr)Cc1ccccc1 1956958075 YIBKBSGUEIKBGC-UHFFFAOYSA-N 451.611 5.591 50 10 JKGE Cc1c(Cl)cc(CN(Cc2ccccc2)C(C)(C)CBr)cc1Br 1979763770 KUPVVIXQKYNUBX-UHFFFAOYSA-N 459.653 6.587 50 10 JKGE Cc1c(Br)sc([C@H](Cl)c2cc(Br)cs2)c1Br 1981402017 RLVOMMQYPKASAS-MRVPVSSYSA-N 465.457 6.734 50 10 JKGE CC(C)[C@H](CCl)N(Cc1ccccc1)Cc1cc(Br)ccc1Br 1982457343 ICKHICFSYBXDIG-IBGZPJMESA-N 459.653 6.477 50 10 JKGE Fc1cc([C@H](Cl)c2cc(I)sn2)c(F)cc1Br 2007646460 YBXKEOFPHHXPQU-JTQLQIEISA-N 450.473 5.117 50 10 JKGE Brc1sc([C@H](Br)c2cccc(I)c2)cc1C1CC1 2033641543 BDZZZOUNWCBWGZ-CYBMUJFWSA-N 498.021 6.477 50 10 JKGE Cc1c(Br)sc([C@H](Br)[C@H]2CCCC(C)(C)C2)c1Br 2049575279 WKDDPBUBJASXEI-GXSJLCMTSA-N 459.085 7.234 50 10 JKGE Cc1cc(Br)c([C@H](Br)[C@@H]2C[C@H]3CCCC[C@@H]32)cc1Br 2089189006 SQRNIVFQDPWPRA-AZKPJATDSA-N 451.040 6.782 50 10 JKGE CC(C)(C)N1C[C@H](Br)[C@H](Cc2c(Br)cccc2Br)C1 2100730209 JAVVHXHRSCYXED-YGRLFVJLSA-N 454.044 5.248 50 10 JKGE FC(F)c1ccc([C@@H](Br)c2c(Cl)sc(Br)c2Cl)cc1 2116026138 RSDXIEJYDFVAGY-MRVPVSSYSA-N 450.957 7.239 50 10 JKGE Clc1c(Br)sc(Br)c1[C@@H](Cl)c1ccc2nsnc2c1 2120651104 MMSPNPLTWBBKFZ-QMMMGPOBSA-N 459.015 6.259 50 10 JKGE Cc1cc(Br)c([C@@H](Br)[C@@H]2OCCOC2(C)C)cc1Br 2130230281 CQNALLWGYQNDHV-OLZOCXBDSA-N 457.000 5.150 50 10 JKGE Cc1cc(Cl)c(Br)cc1[C@@H](Br)Cc1cccc(Br)c1 2137640811 AGRIQNCCARCISH-ZDUSSCGKSA-N 467.426 6.852 50 10 JKGE COc1c(Br)cc(C)cc1[C@H](Br)c1c(C)nsc1Br 2139014838 KMJRQLCMUFFGCK-NSHDSACASA-N 470.024 5.778 50 10 JKGE COc1c(C)cc(Br)cc1[C@@H](Br)c1ccccc1I 2141661003 PXJMRWRIUDMRNJ-AWEZNQCLSA-N 495.980 5.855 50 10 JKGE Cc1cc([C@H](Cl)c2ccc(Br)cc2I)c(Cl)cc1F 2142288778 VGWOYYSRQWGUOT-CQSZACIVSA-N 473.938 6.483 50 10 JKGE Fc1cc(Br)ccc1C[C@H](Br)c1cc(C2CC2)c(Br)s1 2151036683 OALRCFPAJZGYDV-LBPRGKRZSA-N 483.038 6.968 50 10 JKGE CN([C@H]1CC(C)(C)[C@@H]1OCc1ccccc1)S(=O)(=O)c1cc(CCl)sc1Br 2156442850 OSXXSDOXOUBCII-DOTOQJQBSA-N 492.888 5.254 50 10 JKGE Cc1cc([C@H](Br)c2ccc(Br)c3ccccc23)c(Br)s1 2157248795 MNIBRPFEUMGGCX-OAHLLOKOSA-N 475.043 7.219 50 10 JKGE CC(C)(C)OC(=O)N1CCCN(CC2(CBr)CCCCCC2)CC(F)(F)C1 2163061879 INRIBIXOPQZBBS-UHFFFAOYSA-N 453.412 5.300 50 10 JKGE C[C@H](Cl)c1nc2cc(Cl)c(Br)cc2n1[C@H]1CCCN(Cc2ccccc2)C1 2168999711 WRGYOFAHJFENLM-HOCLYGCPSA-N 467.238 6.589 50 10 JKGE O=S(=O)(c1cc(CBr)cc(F)c1F)N(Cc1ccccc1)Cc1cccs1 2179859718 IISURPDGFWUWCO-UHFFFAOYSA-N 472.376 5.312 50 10 JKGE O=S(=O)(c1cc(Cl)cc(CBr)c1Cl)N(Cc1ccccc1)CC1CCCC1 2179863935 UGMIYYOFOBDBMI-UHFFFAOYSA-N 491.278 6.269 50 10 JKGE Fc1ccc(C(CBr)(CBr)Cc2cc(Cl)sc2Cl)cc1 2195406864 DXBDVAYUFBXNKP-UHFFFAOYSA-N 461.021 6.464 50 10 JKGE Cc1ccc([C@H](Br)c2c(Br)cc(F)c(Cl)c2F)cc1Br 2201619827 UYZVXAZMXOOBPO-LBPRGKRZSA-N 489.379 6.936 50 10 JKGE CC(F)(F)CCC[C@H](Br)c1cc(Br)c(Br)cc1F 2218602941 HVTWRUDKLRTGGE-QMMMGPOBSA-N 452.934 6.612 50 10 JKGE COc1csc([C@H](Br)c2c(Br)cc(Cl)c(Cl)c2Cl)c1 2224302605 NGKWGWGBBQWFHX-JTQLQIEISA-N 465.421 6.964 50 10 JKGE Cn1ncc([C@@H](Cl)c2c(Br)cc(Cl)c(Cl)c2Cl)c1Br 2224306617 FYEWCKPEGOITEC-MRVPVSSYSA-N 467.803 6.234 50 10 JKGE COc1c(C)cc(Br)cc1[C@H](Br)c1cc(Br)c(C)s1 2226090353 WSXNEEMNDYQIJN-ZDUSSCGKSA-N 469.036 6.383 50 10 JKGE Fc1cccc(C(CBr)(CBr)Cc2cscc2Br)c1 2227115849 PVDLFWSZPYGZKO-UHFFFAOYSA-N 471.027 5.920 50 10 JKGE Cc1cc(Br)c([C@H](Br)[C@H]2C[C@H]2C(C)(C)C)c(C)c1Br 2227360567 UDATURONYXJLIJ-FIXISWKDSA-N 453.056 6.947 50 10 JKGE Cc1ccc([C@@H](Br)c2c(Br)cc(Cl)c(Cl)c2Cl)cc1F 2232510135 GEXPABJEPAHTMX-GFCCVEGCSA-N 461.383 7.341 50 10 JKGE Cc1cc2sc([C@@H](Br)c3cc(Br)c(Br)cc3F)cc2s1 2233976971 ROBPLXFZLHYYLA-AWEZNQCLSA-N 499.062 7.420 50 10 JKGE COc1cc(Br)c([C@@H](Br)c2ccc(Br)cc2Cl)cc1C 2236011240 SFJPSCIGCPQSRW-HNNXBMFYSA-N 483.425 6.666 50 10 JKGE CC1(C)CN(C(=O)c2cc(Br)ccc2Br)C[C@H]1CCBr 2238470171 KNAGDEPHURXAEF-SNVBAGLBSA-N 468.027 5.095 50 10 JKGE COc1cc(Br)c(C)cc1[C@@H](Cl)c1cc(C)ccc1I 2241000201 GAESBALIZVZLSK-INIZCTEOSA-N 465.556 6.007 50 10 JKGE Cc1c(Br)sc(CNCCSSCCNC(=O)OC(C)(C)C)c1C 2247229921 BQXDUXKEQONBLT-UHFFFAOYSA-N 455.509 5.123 50 10 JKGE CCc1cc([C@H](Cl)c2cc(Br)sc2Br)sc1Br 2248015804 PUBPZNCFPQGSMB-SECBINFHSA-N 479.484 6.988 50 10 JKGE Brc1cc2sc([C@H](Br)c3cscc3Br)cc2s1 2252905135 MSDBBMKJIJHBHI-LLVKDONJSA-N 473.074 7.034 50 10 JKGE Cc1cc(Br)c([C@H](Br)c2cc(Br)cs2)c(C)c1F 2253515423 CJAUXBLRLINHDW-GFCCVEGCSA-N 457.000 6.513 50 10 JKGE Cl[C@H](c1c(Br)sc(Br)c1Br)[C@@]12CCCC[C@@H]1CC2 2260512502 ONPICPJMVKPZIE-XBURVNOZSA-N 477.487 7.286 50 10 JKGE Cl[C@@H](Cc1cc(Br)cc(Br)c1)c1cccc(OCc2ccccc2)c1 2263518268 BQBPTICPXFXRFJ-NRFANRHFSA-N 480.627 7.313 50 10 JKGE Cc1cc(Br)c([C@@H](Cl)c2scc(Br)c2Br)c(C)c1F 2264497235 YHLIIUPYNIIMJJ-LLVKDONJSA-N 491.445 7.120 50 10 JKGE COc1c([C@H](Br)c2cscc2Br)cc(Br)c(C)c1C 2269112682 YRQKXRATEIUVFB-ZDUSSCGKSA-N 469.036 6.383 50 10 JKGE Fc1cc(Br)c(F)c(Br)c1[C@H](Br)[C@H]1CCC[C@@H](F)C1 2272746870 CQOCSNBDSVAJME-MVKOHCKWSA-N 464.945 6.454 50 10 JKGE COc1cc(Cl)c(Cl)cc1[C@H](Br)c1cccc(Br)c1Cl 2279058293 PDQUUIGYRWJUFJ-CYBMUJFWSA-N 459.392 6.902 50 10 JKGE BrCc1cc(Br)cc(Br)c1OCC1CC2(CCCC2)C1 2280014522 ZZWNVDRHRIXTCY-UHFFFAOYSA-N 467.039 6.456 50 10 JKGE Fc1cccc([C@@H](CI)OCc2ccc(Br)cc2F)c1 2281412932 AXJOJLDTRUBOFR-OAHLLOKOSA-N 453.064 5.420 50 10 JKGE CCOc1ccc([C@@H](Cl)c2ccc(Cl)c(I)c2)c(Br)c1 2283587108 PRSRXUJXRYSSKW-HNNXBMFYSA-N 485.974 6.434 50 10 JKGE Fc1cccc([C@H](Br)c2c(F)cc(Br)c(F)c2Br)c1Cl 2288350027 WCNSYYCEQIPMHQ-JTQLQIEISA-N 493.342 6.767 50 10 JKGE Fc1cc(Br)c(F)c(Br)c1[C@@H](Cl)Cc1cccc(Br)c1 2288350613 ASZHCWAWDPYHNE-JTQLQIEISA-N 489.379 6.775 50 10 JKGE Fc1cc(Br)c(F)c(Br)c1[C@@H](Br)C[C@H]1C[C@H]2CC[C@H]1C2 2288373359 IGSCGQHIEBUZJV-QEYWKRMJSA-N 472.993 6.752 50 10 JKGE Fc1cc(Br)c(F)c(Br)c1[C@H](Br)[C@H]1C[C@@]12CCCOC2 2288489058 OYGWUMGPGCUSPZ-OVAUKMOZSA-N 474.965 5.743 50 10 JKGE Cc1ccc(N2C(=O)[C@@H](Cc3cccc(C)c3)SC2=C(C#N)C(=O)Nc2ccccc2)cc1 2293039007 SJXCSUOVXKLHCW-XMMPIXPASA-N 453.567 5.368 50 10 JKGE CCCCc1ccc(NC(=O)C(C#N)=C2S[C@@H](Cc3ccccc3)C(=O)N2c2ccccc2)cc1 2296507036 PZVDMOVVQFBYFB-SANMLTNESA-N 481.621 6.094 50 10 JKGE CC[C@@H]1CC[C@H]([C@@H](Br)c2ccc(OCc3ccccc3)cc2Br)O1 2299493224 KOAAQBLLIGEUOM-YSGRDPCXSA-N 454.202 6.422 50 10 JKGE Brc1ccc(OCc2ccccc2)c([C@H](Br)[C@H]2C[C@H]3CC[C@H]2C3)c1 2299493954 MMSHVMHCUOSROK-ROWPZFDLSA-N 450.214 6.900 50 10 JKGE Fc1c(Br)cc(Cl)c([C@@H](Br)[C@@H]2CCOC2)c1Br 2300172487 RLDOXHUFLHAWLG-ANLVUFKYSA-N 451.355 5.477 50 10 JKGE CCCc1sc(Br)cc1[C@H](Cl)c1csc(I)c1 2300645230 IIRXLPWTWUKPNT-GFCCVEGCSA-N 461.615 6.457 50 10 JKGE COCc1ccc([C@H](Br)c2sc(Cl)cc2I)s1 2302964135 ZXDDYGLBFGLNKV-JTQLQIEISA-N 463.587 5.698 50 10 JKGE Brc1cc(C[C@@H]2[C@H]3CC[C@@H](C3)[C@H]2Br)ccc1I 2306218146 XFGVCANRHREBKF-KZWBYHQPSA-N 469.986 5.406 50 10 JKGE Clc1c(Br)sc(Br)c1[C@H](Br)[C@H]1OC[C@@H]2CCC[C@H]12 2312254532 WRLVLMBWSAOLFV-NVGOVIIQSA-N 479.459 6.178 50 10 JKGE Cc1c(C=C(C#N)C(=O)Nc2cccc(Cl)c2Cl)c2ccccc2n1Cc1ccccc1Cl 2313570763 FSLUUNUYBCQGBT-UHFFFAOYSA-N 494.809 7.504 50 10 JKGE COc1cc(C=C(C#N)C(=O)Nc2ccc(Cl)c(Cl)c2)ccc1OCc1ccccc1F 2313631660 UAWBOKWSXFKCJJ-UHFFFAOYSA-N 471.315 6.266 50 10 JKGE COc1cc(C=C(C#N)C(=O)Nc2ccc(Cl)cc2)ccc1OCc1ccc(Cl)cc1Cl 2313631893 YGIJCYTZNJTTEF-UHFFFAOYSA-N 487.770 6.780 50 10 JKGE N#CC(=Cc1ccccc1OCc1ccccc1Cl)C(=O)Nc1cccc(C(F)(F)F)c1 2313675610 FUKVYALQAYOKGA-UHFFFAOYSA-N 456.851 6.483 50 10 JKGE Cc1ccc(Cl)cc1NC(=O)C(C#N)=Cc1ccccc1OCc1ccc(Cl)cc1Cl 2313676601 IMCBWLBIXGHQCT-UHFFFAOYSA-N 471.771 7.080 50 10 JKGE CCOc1ccc(NC(=O)C(C#N)=Cc2ccc(OCc3ccc(Br)cc3)cc2)cc1 2313738690 OTXFBJRJLODVFR-UHFFFAOYSA-N 477.358 5.972 50 10 JKGE Cc1ccc(Br)cc1[C@@H](Cl)c1ccc(OCc2ccccc2)cc1Br 2314495399 QLGBHYKOUWNYFA-NRFANRHFSA-N 480.627 7.427 50 10 JKGE C[C@@H](NC(=O)C(C#N)=Cc1cn(-c2ccccc2)nc1-c1ccc2c(c1)OCCO2)c1ccccc1 2314522552 ODUMTMVJJBMPIK-HXUWFJFHSA-N 476.536 5.095 50 10 JKGE N#CC(=Cc1ccc(-c2cccc(C(F)(F)F)c2)o1)C(=O)Nc1ccc(C(F)(F)F)c(Cl)c1 2314571338 DWTPAAMXNUFWTH-UHFFFAOYSA-N 484.783 7.183 50 10 JKGE Cc1ccc(C[C@H]2SC(=C(C#N)C(=O)Nc3cccc(C)c3)N(c3ccc(C(C)C)cc3)C2=O)cc1 2314591803 FKCQEDVGWQXEIK-HHHXNRCGSA-N 495.648 6.492 50 10 JKGE Cc1ccc(N2C(=O)[C@H](Cc3ccc(F)cc3)SC2=C(C#N)C(=O)Nc2ccccc2C)cc1C 2314592076 LLCPKVOOMQKWID-VWLOTQADSA-N 485.584 5.816 50 10 JKGE COc1ccc(C(C#N)=Cc2ccc(OC(=O)c3ccc(Br)cc3)cc2)cc1OC 2320507238 HSRIIAFQOFIVPQ-UHFFFAOYSA-N 464.315 5.750 50 10 JKGE C[C@@H]1CC[C@H](CBr)CN1Cc1ccc(I)c(Br)c1 2325224428 XCFIBEWWXDGVSK-ZYHUDNBSSA-N 487.017 5.049 50 10 JKGE COc1ccc(OC)c(-c2csc(C(C#N)=C(O)C=Cc3ccc(OC)c(OC)c3)n2)c1 2331325080 GVFOTBXJCMYOPY-UHFFFAOYSA-N 450.516 5.351 50 10 JKGE COC(=O)c1ccc(C=CC(O)=C(C#N)c2nc(-c3cc(Cl)c(OC)cc3OC)cs2)cc1 2331381074 GCEMEIYHEJEMPU-UHFFFAOYSA-N 482.945 5.773 50 10 JKGE COc1ccc(-c2csc(C(C#N)=C(O)[C@@H](C)Oc3ccc(Cl)cc3Cl)n2)c(OC)c1 2331386823 RFMFVQPZZQEDEA-GFCCVEGCSA-N 477.369 6.394 50 10 JKGE COc1cc(C)c(-c2csc(C(C#N)=C(O)COc3cc(Cl)ccc3Cl)n2)cc1C 2331402875 AXUMMMKADYGBBU-UHFFFAOYSA-N 461.370 6.614 50 10 JKGE C=CCOc1ccccc1OCC(O)=C(C#N)c1nc(-c2ccc(OC)c(OC)c2OC)cs1 2331412777 GZIQYWRZQFQCKE-UHFFFAOYSA-N 480.542 5.272 50 10 JKGE CCCOc1ccc(-c2csc(C(C#N)=Cc3c(OC)ccc4ccccc34)n2)cc1OCCC 2331438030 SDASGEKANYYBHS-UHFFFAOYSA-N 484.621 7.614 50 10 JKGE N#CC(=Cc1ccc(OC(=O)c2ccccc2)cc1)c1nc(-c2cccc3ccccc23)cs1 2331456941 YOUXIWDDRLJMOK-UHFFFAOYSA-N 458.542 7.247 50 10 JKGE CCCCCCCOc1ccc(-c2csc(C(C#N)=Cc3ccc(OCCCC)cc3)n2)cc1 2331459626 CEYYWPXAWDQKQW-UHFFFAOYSA-N 474.670 8.402 50 10 JKGE COc1ccc(C(C)(C)C)cc1-c1csc(C(C#N)=Cc2ccc(OC(=O)c3ccccc3)cc2)n1 2331461051 DERRQVGVQHRXJN-UHFFFAOYSA-N 494.616 7.400 50 10 JKGE CC1(C)CCCC[C@@]1(CBr)Cc1ccc(Cl)c(I)c1 2337222666 CALKYHKXEPWSHU-INIZCTEOSA-N 455.605 6.469 50 10 JKGE C[C@]12C[C@H](C1)[C@H]([C@@H](Br)c1cc(Br)c(Br)cc1F)CO2 2337696821 FHRWLYWFKZFZEI-FFQAGHOLSA-N 456.975 5.602 50 10 JKGE Clc1cc(I)c([C@H](Br)[C@@H]2CCC[C@H]3CCCC[C@@H]32)s1 2338776632 URKKPOAPGAZHPX-FBKDDSFISA-N 473.645 7.049 50 10 JKGE Cc1cc(Br)c(F)c(Br)c1[C@H](Br)CCC1CCCC1 2339646231 PDNQVTUTHNTUEZ-LLVKDONJSA-N 457.019 7.066 50 10 JKGE Clc1ccc(CN(CCBr)C2CCCCC2)c(I)c1 2341026797 DNUQRYYYWBJXQW-UHFFFAOYSA-N 456.593 5.474 50 10 JKGE C[C@@H](Br)CN(Cc1ccc(Cl)cc1I)CC(C)(C)C 2341047445 HPERRZSQDBKOOU-LLVKDONJSA-N 458.609 5.576 50 10 JKGE C[C@H](Br)CN(C(=O)c1cc(Br)c(Br)s1)C1CCCC1 2342917483 FLUGSWPNYFMGGK-QMMMGPOBSA-N 474.056 5.441 50 10 JKGE C[C@H](Cl)c1ccccc1NCc1ccc(I)c(Br)c1 2349829047 NENNNDVUTMIHCB-JTQLQIEISA-N 450.545 5.966 50 10 JKGE Brc1cc(CN2CC[C@H]3CC[C@H](Br)[C@@H]2C3)ccc1I 2349838546 WFPGNMUGAYWAQF-GMXABZIVSA-N 499.028 5.192 50 10 JKGE COc1c(Br)cc(C)c([C@H](Br)C2(C)CCCCC2)c1Br 2365187992 GUAYLHLDIHAOAT-HNNXBMFYSA-N 469.055 6.935 50 10 JKGE COc1cc([C@@H](Br)c2scc(C(F)(F)F)c2Br)sc1Cl 2365828451 HLOHVCGASUBWQC-MRVPVSSYSA-N 470.557 6.737 50 10 JKGE C[C@@H]1CCC/C(=N\NC(=O)COc2ccc3cc(Br)ccc3c2Br)C1 12491411 SHXMZLMBGPRION-SPZKXHQHSA-N 468.189 5.426 50 10 JKGE C/C(=N/NC(=O)c1ccc(OCC(=O)N2[C@H](C)CCC[C@H]2C)cc1)c1cccc(C(F)(F)F)c1 33496923 SYOADWSMKUOOLG-ACGGLUCQSA-N 475.511 5.028 50 10 JKGE Cc1ccc(C[C@H]2S/C(=C(\C#N)C(=O)Nc3ccccn3)N(c3ccccc3)C2=O)cc1Cl 33756695 DBXWYVGNEXQJFE-MDVMQCDRSA-N 474.973 5.108 50 10 JKGE N#C/C(=C\c1ccc2noc(-c3ccccc3)c2c1)c1nc(-c2ccc(Br)cc2)cs1 35518705 XSBIAUFEXZTHRC-XDHOZWIPSA-N 484.378 7.445 50 10 JKGE N#C/C(=C\c1ccc(-c2ccc(Cl)c(Cl)c2)o1)c1nc(O)c2cc(Br)ccc2n1 35518899 BWDABLVGSNIPQM-KPKJPENVSA-N 487.140 6.729 50 10 JKGE N#C/C(=C\c1ccc(-c2cc(Cl)ccc2Cl)o1)C(=O)Nc1cc(Cl)cc(Cl)c1 35519457 FQBZWKICIRRRBR-VZUCSPMQSA-N 452.124 7.106 50 10 JKGE COc1ccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)COc4ccc(C(C)C)cc4)ccc32)cc1 38650394 DFSWSZNXDYNNSC-MHZLTWQESA-N 470.525 5.021 50 10 JKGE N#CC1=C(N)Oc2cc(OC(=O)c3ccc(Cl)cc3)ccc2[C@@H]1c1c(F)cccc1Cl 38680184 OARTWZRREDEHIQ-FQEVSTJZSA-N 455.272 5.570 50 10 JKGE N#CC1=C(N)Oc2cc(OC(=O)c3cccs3)ccc2[C@H]1c1ccc(OCc2ccc(F)cc2)cc1 38686474 YWCJQKXTXFKFOV-AREMUKBSSA-N 498.535 5.904 50 10 JKGE Cc1ccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4oc5ccc(C)cc5c4C)ccc32)cc1 38687034 XDOUGUUQRQJASI-RUZDIDTESA-N 450.494 5.795 50 10 JKGE CCCCC1CCC(C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@@H]3c2cccc3ccccc23)CC1 38688561 GFRNJUQSTUIZCO-OHXIZEMESA-N 480.608 6.960 50 10 JKGE Nc1c(NNC(=O)c2ccc(Cl)cc2Cl)ncnc1Nc1cccc(Cl)c1Cl 40778663 HDOUFWKLHUOHPH-UHFFFAOYSA-N 458.136 5.173 50 10 JKGE Cc1c(C(=O)Nc2ccc3c(c2)OCO3)oc2c1/C(=N/NC(=O)c1cccc3ccccc13)CCC2 40813542 PNGQHNUQPYRANW-MWAVMZGNSA-N 481.508 5.193 50 10 JKGE CCCCOc1ccc(/C=C(\C#N)C(=O)Nc2cc(OC)c(C(=O)OCC)cc2Cl)cc1 41013281 GFMIMVIHWCRJJK-SFQUDFHCSA-N 456.926 5.250 50 10 JKGE Cc1cccc(COc2ccc(Br)cc2/C=C(/C#N)C(=O)Nc2cc(Cl)ccc2C)c1 59255583 OMAOUECKOVVQBD-JAIQZWGSSA-N 495.804 6.844 50 10 JKGE O=C(N/N=C/c1cccc(OCc2ccc(Cl)cc2)c1)c1cc(Br)ccc1O 59410612 HSLHAWZCEOMYSJ-WYMPLXKRSA-N 459.727 5.151 50 10 JKGE CCCCC(=O)Nc1ccc(C(=O)NNC(=O)C(C)(C)CCCOc2cc(C)ccc2C)cc1 66201465 MBGHQUGZFBXWTM-UHFFFAOYSA-N 467.610 5.079 50 10 JKGE COc1cccc(Cn2cc(/C=C(/C#N)C(=O)Nc3ccccc3C(F)(F)F)c3ccccc32)c1 96438606 FKHQOFIUBSRPJD-RGEXLXHISA-N 475.470 6.263 50 10 JKGE Fc1ccc(C[C@@H](CBr)Cc2cccc(Br)c2)cc1Br 97184650 SJCPAKIVFCVYBE-ZDUSSCGKSA-N 464.998 6.147 50 10 JKGE CCCCCCCOc1ccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4ccccc4)ccc32)cc1 101377591 DZHWXTJNDZCJEN-MUUNZHRXSA-N 482.580 6.473 50 10 JKGE Cc1ccc(NC(=O)/C(C#N)=C\c2c(Oc3ccc(Cl)c(C)c3)nc3c(C)cccn3c2=O)cc1 102847915 HAJPTYQQIAAYMC-RGEXLXHISA-N 484.943 5.611 50 10 JKGE Clc1cc([C@@H](Cl)c2cc(Br)c(Br)s2)sc1Br 128883581 LECKTNCHENJDKP-ZETCQYMHSA-N 485.875 7.079 50 10 JKGE CC1(C)C(=O)Nc2ccc([C@H](Br)c3ccc(I)cc3)cc21 157622070 ARZIXBLCWJYHFZ-OAHLLOKOSA-N 456.121 5.005 50 10 JKGE COc1cc(Br)ccc1[C@H](Cl)c1cc(Br)c(C)cc1Br 160788645 NAKBIDMJLCQLQK-HNNXBMFYSA-N 483.425 6.619 50 10 JKGE Cc1ccccc1C(CBr)(CBr)Cc1ccc(Br)cn1 169003505 OLMBUBYXERBBQW-UHFFFAOYSA-N 462.023 5.423 50 10 JKGE CCCCCOc1ccc(/C=C2\C(=O)N(Cc3ccc(OC)cc3)C(=O)C(C#N)=C2C)cc1OC 214396843 DKKMODKNVHLHGB-HAHDFKILSA-N 474.557 5.065 50 10 JKGE COc1ccc([C@@H](Br)c2cc(C)c(Br)s2)c(OC)c1Br 224856655 ZTTPCDGZKMZAPX-LLVKDONJSA-N 485.035 6.083 50 10 JKGE CCOc1ccc([C@@H](Br)c2ccc(Br)c(Cl)c2)cc1Br 228994934 FHVLQSUECYEBAO-OAHLLOKOSA-N 483.425 6.748 50 10 JKGE CCOc1ccc(Br)cc1[C@@H](Br)c1cccc(C)c1Br 233779192 OWDMKBAJYVTFSJ-INIZCTEOSA-N 463.007 6.403 50 10 JKGE Clc1ccc(I)c([C@@H](Br)c2cccc3ccccc23)c1 236083930 OYHXURPUDBLMAJ-KRWDZBQOSA-N 457.536 6.582 50 10 JKGE Fc1ccc([C@H](Br)Cc2ccc(Cl)c(Cl)c2)c(I)c1 236240474 OAOHQNNQLKUUMF-LLVKDONJSA-N 473.938 6.416 50 10 JKGE CC(=NNC(=O)CSc1cc(C)c(Br)cc1C)c1ccc(C2CCCCC2)cc1 254350159 OYHMPMPJWATLTG-UHFFFAOYSA-N 473.480 6.746 50 10 JKGE CC(=NNC(=O)c1ccc(COc2ccccc2-c2ccccc2)cc1)c1ccc(C)c([N+](=O)[O-])c1 254411046 LBTUOEKGKXEZRZ-UHFFFAOYSA-N 479.536 6.303 50 10 JKGE COc1ccc(-n2c(SCC(=O)NN=C/C=C\c3ccccc3)nnc2-c2ccc(C)cc2)cc1 254483568 FXKHCXQGHRYROC-ILQNFELRSA-N 483.597 5.159 50 10 JKGE CC(=NNC(=O)[C@@H]1C[C@@H]1c1ccc(C(C)(C)C)cc1)c1ccc(NC(=O)c2ccc(Cl)cc2)cc1 254863224 HTARNNOWABQFGZ-CLJLJLNGSA-N 488.031 6.534 50 10 JKGE CCCCCCCCCCCCCCCCCC(=O)NN=Cc1c2ccccc2cc2ccccc12 254870759 AZMTYNRIBJBBFG-UHFFFAOYSA-N 486.744 9.705 50 10 JKGE FC1(F)CC[C@H](CC(CBr)(CBr)c2ccc(Br)cc2)C1 312136831 QSXIWJLLMSYGAP-LLVKDONJSA-N 475.009 6.302 50 10 JKGE C[C@@H](Cl)c1nc2ccccc2n1-c1ccc(I)cc1Br 312206902 BKRXWMBOWPXAQE-SECBINFHSA-N 461.528 5.692 50 10 JKGE Cc1cc(Br)c([C@@H](Br)c2ccccc2OCc2ccccc2)s1 381981111 MVXCSUJFWUCMMP-SFHVURJKSA-N 452.211 6.882 50 10 JKGE FC(F)(F)c1csc([C@H](Cl)c2ccccc2OCc2ccccc2)c1Br 382195345 KRVCFIRAYICHRT-QGZVFWFLSA-N 461.730 7.437 50 10 JKGE O=C(OCc1ccccc1)N1C[C@H](c2ccccc2Cl)[C@@H](CI)C1 382702339 DADSNTMAOQNJCR-RDJZCZTQSA-N 455.723 5.127 50 10 JKGE Clc1cccc([C@H](Br)c2cc(Cl)c(Cl)c(Cl)c2Cl)c1Cl 404663869 SWHBBAWFAKLSJS-VIFPVBQESA-N 453.805 8.091 50 10 JKGE COC1(COc2c(Br)cc(Br)cc2CBr)CCCC1 692493475 CUVVNYQZLYOPJM-UHFFFAOYSA-N 457.000 5.445 50 10 JKGE CCOc1ccc([C@H](Br)c2ncsc2Br)cc1Br 698649096 VWRMXXXYBKHYMT-JTQLQIEISA-N 455.997 5.551 50 10 JKGE Clc1cc2c(cc1[C@H](Cl)c1scc(Br)c1Br)OCCO2 705449367 ZRVSJHCIVFOHFM-LBPRGKRZSA-N 458.986 6.026 50 10 JKGE C[C@@H](O[C@](C)(CI)c1ccccc1Br)C1CCCCC1 719735791 MCZYCANMEMAVLE-CXAGYDPISA-N 451.186 6.085 50 10 JKGE COc1ccc(C(=O)NN=Cc2c(Br)c(C)n(-c3cc(C)cc(C)c3)c2C)cc1OC 725388166 ZAMXALVVJAFANA-UHFFFAOYSA-N 484.394 5.255 50 10 JKGE Cc1c(C=NNC(=O)c2ccccc2Br)c2ccccc2n1Cc1ccccc1C#N 1084006249 PKBIBBOQWDYQIY-UHFFFAOYSA-N 471.358 5.396 50 10 JKGE CC1=C(C#N)C(=O)N(CCc2ccccc2)C(=O)/C1=C/Nc1ccc(N=Nc2ccccc2)cc1 1772742759 KJOPOPGBGKMWCH-BTSMCKHUSA-N 461.525 5.849 50 10 JKGE CC(C)(C)CC(C)(C)c1ccc(OCC(=O)NN=Cc2cc(Br)ccc2O)cc1 1772753043 LXWQSDMNCRKLTI-UHFFFAOYSA-N 461.400 5.398 50 10 JKGE COc1cccc(C=NNC(=O)CSc2nc3ccccc3[nH]2)c1OCc1c(F)cccc1Cl 1772760446 NKHJBHZPDKNQHT-UHFFFAOYSA-N 498.967 5.185 50 10 JKGE COc1cccc([C@@H]2C(C#N)=C(N)Oc3c2c(-c2ccccc2)nn3Cc2cccc(Cl)c2)c1O 1865683634 GRUSMPMUOQSIJL-JOCHJYFZSA-N 484.943 5.184 50 10 JKGE COc1ccc(-n2nc(-c3ccccc3)c3c2OC(N)=C(C#N)[C@H]3c2c(Cl)cccc2Cl)cc1 1865686182 RQHHSVRADBXUTH-NRFANRHFSA-N 489.362 6.073 50 10 JKGE N#CC1=C(N)Oc2c(c(-c3ccccc3)nn2-c2ccc(Cl)cc2)[C@@H]1c1c(Cl)cccc1Cl 1865686528 WYAOWBMFHNISNN-FQEVSTJZSA-N 493.781 6.718 50 10 JKGE COc1ccc(-c2nn(-c3ccccc3Cl)c3c2[C@@H](c2cc(C)ccc2O)C(C#N)=C(N)O3)cc1 1865687481 SETYTIYOOIGRIW-QHCPKHFHSA-N 484.943 5.434 50 10 JKGE CCCOc1ccc([C@H]2C(C#N)=C(N)Oc3c2c(CC)nn3-c2cccc(Cl)c2)cc1OCC 1865691237 NNQDFTURWKUBAS-QHCPKHFHSA-N 478.980 5.494 50 10 JKGE CCCCCCOc1ccc([C@H]2C(C#N)=C(N)Oc3c2c(CC)nn3Cc2ccccc2)cc1OC 1865696877 SSQXDISZRWPGJQ-SANMLTNESA-N 486.616 5.680 50 10 JKGE COc1ccc(-c2nn(Cc3ccc(C)cc3)c3c2[C@H](c2ccccc2[N+](=O)[O-])C(C#N)=C(N)O3)cc1 1865710247 RYPWNDVYQFKLQZ-XMMPIXPASA-N 493.523 5.042 50 10 JKGE COc1ccc(OC2CCN(c3cc(Nc4ccc(SC#N)cc4)nc(C(C)C)n3)CC2)cc1 1868231800 SFVIJHSQOBVHBW-UHFFFAOYSA-N 475.618 5.973 50 10 JKGE CCc1nc(Nc2ccc(SC#N)cc2)cc(N2CCc3ccccc3[C@H]2c2cccc(Cl)c2)n1 1868277591 BLNCIOZZKUMXBH-MUUNZHRXSA-N 498.055 7.161 50 10 JKGE N#CSc1ccc(Nc2cc(N3CCO[C@H](c4cccnc4)C3)nc(-c3ccccc3)n2)cc1 1868365961 ZJOGXMJIALPYAM-QHCPKHFHSA-N 466.570 5.433 50 10 JKGE COc1ccc(-c2c(C)c3cc(OCc4cccc(CCl)c4)ccc3oc2=O)cc1OC 1871436929 CUBWACVMGZGGEY-UHFFFAOYSA-N 450.918 6.103 50 10 JKGE COc1cccc(/C=C(\C#N)c2ncccc2[N+](=O)[O-])c1OCc1ccc(Br)cc1 1872729180 ROJNXNQAMSWSSO-SFQUDFHCSA-N 466.291 5.404 50 10 JKGE CCCCCOc1ccc(/C=C(C(/O)=C(\C#N)c2nc(C(C)C)cs2)\c2ccccc2)cc1OC 1872750803 RNQPWADUYAWUCK-GBGCCFRHSA-N 488.653 7.878 50 10 JKGE COc1ccc(/C=C(C(/O)=C(\C#N)c2nc(-c3ccc(OC)c(C)c3C)cs2)\c2ccccc2)cc1 1872753574 DCSINAZVMLSKQA-BLOQDEJMSA-N 494.616 7.478 50 10 JKGE COc1ccc(-c2csc(/C(C#N)=C(\O)COc3cc(Cl)ccc3Cl)n2)c(C)c1C 1872753698 JHGOCBWHTWOBIE-MNDPQUGUSA-N 461.370 6.614 50 10 JKGE COc1ccc(Cl)cc1-c1csc(/C(C#N)=C(O)/C=C/c2ccc(C(C)(C)C)cc2)n1 1872758814 RGJYHBQTHFNNAW-PVTSUSJYSA-N 450.991 7.276 50 10 JKGE COc1ccc(-c2csc(/C(C#N)=C(O)/C(=C\c3ccccc3)c3ccccc3)n2)c(OC)c1OC 1872759467 PEPJMBVIOPNSHZ-ACSFPLRCSA-N 496.588 6.869 50 10 JKGE COc1cccc(-c2csc(/C(C#N)=C/c3ccc(OCc4ccccc4Cl)cc3)n2)c1 1872781390 CLVUNDJKGUBQAW-FYJGNVAPSA-N 458.970 7.115 50 10 JKGE N#C/C(=C(/O)CNC(=O)c1ccc(Cl)cc1Cl)c1nc(-c2cccc(Cl)c2)cs1 1872818044 KQCLXYSFBIQEOE-SDXDJHTJSA-N 464.761 5.993 50 10 JKGE CCOC(=O)Oc1ccc(/C(O)=C(\C#N)c2nc(-c3cc(OC)ccc3OC)cs2)cc1 1873921094 UXNKATCTVHNCOK-UZYVYHOESA-N 452.488 5.312 50 10 JKGE ClCC[C@H](COCc1ccccc1)NCc1ccc(Cl)cc1I 1902900224 CKAGNECPYQTQLL-QGZVFWFLSA-N 464.174 5.249 50 10 JKGE Brc1cc(Br)c([C@H](Br)c2sncc2Br)s1 1922881155 BQVAHBSAROGETF-LURJTMIESA-N 496.869 5.976 50 10 JKGE Cc1c(Br)sc([C@@H](Br)C[C@@H]2CC(C)(C)CO2)c1Br 1922920790 KRPYDHBSVSLXAA-BDAKNGLRSA-N 461.057 6.223 50 10 JKGE CCc1ccc([C@@H](Br)c2c(Br)sc(Br)c2Cl)cc1 1923040783 WROVMSHIDXRIEB-SNVBAGLBSA-N 473.455 6.973 50 10 JKGE Clc1cccc([C@@H](Br)c2c(Br)sc(Br)c2Cl)c1 1923048594 HTMORHMIBJNPCL-MRVPVSSYSA-N 479.846 7.064 50 10 JKGE CC1(C)C[C@]1(C)[C@@H](Br)c1c(Br)sc(Br)c1Cl 1923055112 OXGGZECGTDQXLO-WRWORJQWSA-N 451.449 6.799 50 10 JKGE CC(C)C[C@H](C(C)C)[C@@H](Br)c1c(Br)sc(Br)c1Cl 1923066151 MHTWXYKIYHDZFU-PSASIEDQSA-N 481.519 7.681 50 10 JKGE Clc1ccc(I)c([C@@H](Cl)Cc2ccncc2Br)c1 1924046865 FPYFZKBSQDCDKB-LBPRGKRZSA-N 456.936 5.625 50 10 JKGE CCO[C@@H]1C[C@H]1[C@@H](Cl)c1c(Br)sc(Br)c1Br 1924607478 VJGOFXFEBNEFEV-OKMMGKLZSA-N 453.421 5.741 50 10 JKGE CN(CCN(Cc1ccccc1)c1c(CBr)ccc(F)c1F)Cc1ccccc1 1931968099 ZLMDZSHHEVSXIP-UHFFFAOYSA-N 459.378 5.998 50 10 JKGE CC1(C)CC[C@@H]1[C@H](Br)c1c(Br)sc(Br)c1Cl 1987991675 PMAYQWLIARRUEB-VDTYLAMSSA-N 451.449 6.799 50 10 JKGE Cc1cc([C@@H](Br)c2sccc2Br)ccc1I 1995254805 WRXBPWIJHSLOAX-LLVKDONJSA-N 471.983 5.908 50 10 JKGE CCc1cc(Br)c([C@@H](Br)c2cc(Br)c(Cl)s2)s1 2004901630 BGXQANUOHKBCMA-VIFPVBQESA-N 479.484 7.035 50 10 JKGE C[C@@H](NCCSSCCNC(=O)OC(C)(C)C)c1cccc(NC(=O)OC(C)(C)C)c1 2010826301 ZTBGBZCCFVNFAZ-MRXNPFEDSA-N 471.689 5.590 50 10 JKGE Cc1c(Cl)cc([C@@H](Br)c2sc(Cl)cc2Br)cc1Br 2048496078 GCLBPKWRZZLJOA-LLVKDONJSA-N 493.873 7.373 50 10 JKGE CCc1cc(Br)c([C@H](Br)Cc2ccc(Br)cc2F)s1 2089709594 NXSIQZBSPNRPJZ-LLVKDONJSA-N 471.027 6.653 50 10 JKGE Cn1nc([C@@H](Br)c2scc(C(F)(F)F)c2Br)cc1Br 2094081024 XTAXQLDGHAMXKW-MRVPVSSYSA-N 482.945 5.510 50 10 JKGE CC1(C)CC[C@@H](CBr)N(Cc2c(Br)cccc2Br)C1 2094091665 WNMHFGJRKVPIMO-NSHDSACASA-N 454.044 5.597 50 10 JKGE CN(c1cccc(Br)c1CBr)[C@@H]1C[C@@H]2CC[C@H](C1)N2Cc1ccccc1 2094890699 NXFDIWOVDGKPQS-BWTSREIZSA-N 478.272 5.976 50 10 JKGE Cc1sc(Br)cc1[C@@H](Br)c1cc2c(cc1Br)OCC2 2095697061 RSXQXLRUIQWAQR-CQSZACIVSA-N 467.020 6.001 50 10 JKGE C[C@H](COCc1ccccc1)Cn1c([C@@H](C)Cl)nc2cc(Cl)c(Br)cc21 2112697140 SAULHNQPKIFUQA-UONOGXRCSA-N 456.211 6.605 50 10 JKGE FC(F)(F)C1([C@@H](Br)c2sc(Br)cc2Br)CCOCC1 2116579350 ZFOZUISUYVLOET-VIFPVBQESA-N 486.973 6.068 50 10 JKGE COC[C@H](C)CCC(CBr)(CBr)c1ccccc1Br 2130999009 NWKGDEWVJJJOBI-GFCCVEGCSA-N 457.044 5.539 50 10 JKGE Cc1c([C@H](Br)c2ccc(F)c(Br)c2F)c(Br)nn1C 2131599205 QGCLZCHCYSIZPX-SECBINFHSA-N 458.926 5.016 50 10 JKGE COc1cc(F)c([C@H](Br)c2ccc(I)cc2)cc1Br 2138160739 NFFHMRIJLOITBS-CQSZACIVSA-N 499.943 5.686 50 10 JKGE Cl[C@@H](c1c(Br)sc(Br)c1Br)C1C2(CCC2)C12CCC2 2139147936 HARDCDYALUPNAE-VIFPVBQESA-N 489.498 7.286 50 10 JKGE Br[C@@H](c1ccc(-c2ccccc2)s1)c1sccc1I 2141206127 KTZAALBMRUWMSY-AWEZNQCLSA-N 461.187 6.566 50 10 JKGE COc1ccccc1C[C@@H](Cl)c1ccc(Br)cc1I 2142278764 HQEIDRFDQKLWBB-CYBMUJFWSA-N 451.529 5.585 50 10 JKGE COc1ccc([C@H](Cl)c2ccc(Br)cc2I)c(F)c1 2142287759 ONTYTMPUIUVGTE-AWEZNQCLSA-N 455.492 5.530 50 10 JKGE Cc1cc([C@H](Br)c2ccc(Br)cc2I)c(C)cc1F 2142291787 OOEIXPCTBJFVKX-OAHLLOKOSA-N 497.971 6.294 50 10 JKGE Clc1cc(CC[C@@H](Cl)c2ccccc2Br)ccc1I 2142941897 ZEDCRUHBOSBIHE-CYBMUJFWSA-N 469.975 6.620 50 10 JKGE Cc1cc(Br)c([C@H](Br)C2CC3(C2)CC(C)(C)C3)cc1Br 2157159242 FXLQGOMPXWFREC-OAHLLOKOSA-N 465.067 7.172 50 10 JKGE CC(C)CO[C@@H]1[C@@H](Cl)C[C@H]1Oc1c(Br)cc(Br)cc1Br 2165550679 CLDQKSNEHGLCKJ-OUCADQQQSA-N 491.445 5.774 50 10 JKGE C[C@H](N(Cc1ccccc1)S(=O)(=O)c1cc(CBr)cc(F)c1F)C(C)(C)C 2179859590 GNZQCBUTSUWZDO-AWEZNQCLSA-N 460.384 5.485 50 10 JKGE COc1cc(C)c([C@H](Br)Cc2ccc(Br)cc2)cc1Br 2198736811 IQESOSANHTVOAS-CQSZACIVSA-N 463.007 6.207 50 10 JKGE COc1ccc([C@@H](Cl)c2ccc(Br)cc2Br)c(Cl)c1Cl 2203447359 ICIBLCRXQSXZJX-LBPRGKRZSA-N 459.392 6.855 50 10 JKGE Cc1c(Br)ccc([C@H](Br)[C@@H]2CCn3ccnc3C2)c1Br 2203703683 JOZKBICERZHRJM-MEBBXXQBSA-N 463.011 5.415 50 10 JKGE COc1c(Br)cc(C)cc1[C@H](Br)c1nn(C)c(Cl)c1Br 2203813583 XVJSPEQPXINCAC-VIFPVBQESA-N 487.417 5.400 50 10 JKGE Fc1cc(F)cc(CO[C@H](CI)c2cccc(Br)c2)c1 2204373642 IEGLDYHUPKCTSM-OAHLLOKOSA-N 453.064 5.420 50 10 JKGE Cc1c(Br)csc1[C@@H](Br)c1cc(Br)c(Cl)s1 2210636307 VJOOGTYOMDCZDP-QMMMGPOBSA-N 465.457 6.781 50 10 JKGE Fc1cc(Br)c(Br)cc1[C@H](Br)c1cc(Cl)sc1Cl 2218597056 JTVLXYXEFQDKAL-JTQLQIEISA-N 497.836 7.203 50 10 JKGE O=C(Nc1ccccc1CBr)c1csc(Br)c1Br 2222944793 RKPFIFPVVSBHMZ-UHFFFAOYSA-N 453.981 5.420 50 10 JKGE CC(C)(C)OC1CC(C[C@H](Br)c2cc(Br)sc2Br)C1 2224727700 SCSHGLYLWOWQQU-AMUVOQDHSA-N 475.084 6.693 50 10 JKGE Fc1cc(Br)c(Br)cc1[C@H](Br)c1c(F)cccc1F 2225618187 VEIHUNAQJBVTBP-ZDUSSCGKSA-N 458.897 6.113 50 10 JKGE C[C@]1(C(F)(F)F)C[C@@H]1[C@@H](Br)c1cc(Br)c(Br)cc1F 2225619568 KNMVZYNLPAPRGJ-DADVEIPYSA-N 468.908 6.375 50 10 JKGE O=C(Nc1ccccc1CCBr)c1csc(Br)c1Br 2230675654 CJZVLXPBQBZCAH-UHFFFAOYSA-N 468.008 5.463 50 10 JKGE Fc1cc(Br)c(Br)cc1[C@H](Br)[C@H]1CCCCC12CCC2 2233974519 FTDVEGLSWQNSOI-ABAIWWIYSA-N 469.030 7.147 50 10 JKGE FC(F)(F)Oc1ccc(Cl)cc1[C@@H](Br)c1csc(Br)c1 2239629433 UQOJYPWKGDCQKC-NSHDSACASA-N 450.501 6.547 50 10 JKGE CC(C)(C)OC(=O)N1CCC[C@@](CI)(OCC[C@H]2CCCC23CC3)C1 2255319776 ICKHGYBCMWKBFN-UZLBHIALSA-N 463.400 5.178 50 10 JKGE Fc1cc([C@H](Cl)c2cc(Br)c(Cl)s2)c(Cl)cc1Br 2255970496 VYQSBIINZGAMHU-JTQLQIEISA-N 453.385 7.047 50 10 JKGE CCc1cc([C@H](Br)Cc2ccc(Br)cc2)sc1Br 2256055234 OBJDWZHHDYGMNC-GFCCVEGCSA-N 453.037 6.514 50 10 JKGE Fc1cc(Cl)c([C@@H](Br)c2sc(Cl)cc2Br)cc1Br 2258112325 JRXVSKNFUCBKHE-SNVBAGLBSA-N 497.836 7.203 50 10 JKGE Fc1ccsc1[C@H](Br)c1c(F)cc(Br)c(F)c1Br 2259999512 QQBKXDHKVKXJAW-SECBINFHSA-N 464.926 6.175 50 10 JKGE Fc1cc(Br)c(F)c(Br)c1[C@H](Br)C[C@]12CCC[C@@H]1C2 2272839143 DOWNEMCIYMWVPB-BDCGGMFSSA-N 458.966 6.506 50 10 JKGE Fc1cc(Br)c(F)c(Br)c1[C@H](Br)CC1CCOCC1 2272840823 KQUWMKOHUMTWHG-MRVPVSSYSA-N 462.954 5.743 50 10 JKGE CCCC(CCC)[C@@H](Br)c1c(F)cc(Br)c(F)c1Br 2272850012 PNDPNLJSIWZQKS-GFCCVEGCSA-N 462.998 7.142 50 10 JKGE Fc1cccc([C@@H](Br)c2cc3sc(Br)cc3s2)c1Br 2278104485 YVXWBAVRQYGVSL-CYBMUJFWSA-N 485.035 7.111 50 10 JKGE CC(C)(C)c1ccc([C@H](Br)c2ccc(Cl)c(I)c2)cc1 2283575659 WTPGLVSORDSZNY-INIZCTEOSA-N 463.584 6.726 50 10 JKGE Fc1cc(Br)c(F)c(Br)c1[C@@H](Br)C1CCC(F)(F)CC1 2288357272 KBSRYDIXVQGZHW-JTQLQIEISA-N 482.935 6.751 50 10 JKGE C[C@H]1C[C@@H]([C@@H](Br)c2c(F)cc(Br)c(F)c2Br)C[C@@H](C)O1 2288366280 ZHZRZPCUILCNAB-MOEZTCPLSA-N 476.981 6.129 50 10 JKGE Brc1cc(Br)cc(C[C@H](Br)C2(c3ccccc3)CC2)c1 2295338644 ZLSVXZUFQVLBLT-INIZCTEOSA-N 459.019 6.249 50 10 JKGE CN(Cc1ccc(Br)cc1Br)[C@@H](CBr)c1ccccc1 2296477867 ODGHFDQIVYFTFG-INIZCTEOSA-N 462.023 5.780 50 10 JKGE N#CC(=Cc1ccc(-c2ccccc2Cl)o1)C(=O)Nc1ncc(Cc2ccccc2Cl)s1 2296818938 CIDFJOUDZGNIGO-UHFFFAOYSA-N 480.376 6.846 50 10 JKGE N#CC(=Cc1ccc(-c2ccc([N+](=O)[O-])cc2)o1)C(=O)Nc1ncc(Cc2ccccc2Cl)s1 2296818972 HBQZQRXZBNZNBG-UHFFFAOYSA-N 490.928 6.101 50 10 JKGE N#CC(=Cc1ccc(-c2cccc([N+](=O)[O-])c2)o1)C(=O)Nc1ncc(Cc2ccc(Cl)cc2)s1 2296833244 PFFSYHYVSWBNNY-UHFFFAOYSA-N 490.928 6.101 50 10 JKGE Cc1ccc(C[C@H]2SC(=C(C#N)C(=O)NCc3ccccc3)N(c3ccc(C)cc3)C2=O)cc1 2296834918 AMPNWXBBLXGXLE-RUZDIDTESA-N 467.594 5.046 50 10 JKGE CSc1cccc(NC(SCc2cc(C)ccc2C)=C(C#N)S(=O)(=O)c2ccccc2)c1 2297349955 HERRRZOYVHBZCW-UHFFFAOYSA-N 480.680 6.537 50 10 JKGE COc1cccc(NC(SCc2ccccc2Cl)=C(C#N)C(=O)NCc2ccccc2)c1 2297414593 SCEDSOWZJQUWHC-UHFFFAOYSA-N 463.990 5.745 50 10 JKGE Cc1cc(C=C(C#N)C(=O)OCC(=O)Nc2cc(Cl)c(Cl)cc2Cl)c(C)n1CCC(C)C 2297486962 XRLBKICZLNHLRT-UHFFFAOYSA-N 496.822 6.200 50 10 JKGE CC1=CCCC(C)(C)[C@@H]1C=CC(C)=NNC(=O)[C@H](Oc1ccc([N+](=O)[O-])cc1)c1ccccc1 2297672093 DALOJSKOXGMURY-JWQCQUIFSA-N 461.562 6.146 50 10 JKGE Cc1cc(Br)cc([C@H](Cl)c2sc(Cl)cc2I)c1 2301084631 VZSNTXZPUIJYEY-NSHDSACASA-N 461.977 6.405 50 10 JKGE BrCC1(COc2cc(Br)cc(I)c2)CCCC1 2301129223 DVYQHELHMNPSJC-UHFFFAOYSA-N 473.974 5.388 50 10 JKGE Cc1ccc(NC(=O)C(C#N)=Cc2cccc(OCc3ccc(Cl)cc3Cl)c2)c(C)c1 2313667856 WRKZNBVQISENSM-UHFFFAOYSA-N 451.353 6.735 50 10 JKGE N#CC(=Cc1cn(-c2ccccc2)nc1C12CC3CC(CC(C3)C1)C2)c1nc2ccccc2s1 2314475935 FYNBUBAVNWEAKZ-UHFFFAOYSA-N 462.622 7.014 50 10 JKGE COc1cc(C=C(C#N)c2ccc(Cl)cc2)ccc1OC(=O)CCN1C(=O)c2ccccc2C1=O 2314720644 WDENSALMIPQMGV-UHFFFAOYSA-N 486.911 5.004 50 10 JKGE CCCC1([C@@H](Br)c2c(Cl)cc(Br)c(F)c2Br)CC1 2315448540 BLYIZVUFFFIMCZ-LBPRGKRZSA-N 463.410 7.020 50 10 JKGE COc1ccccc1C(C#N)=Cc1cccc(OC(=O)[C@@H](C)Oc2ccc(Cl)cc2Cl)c1 2320511451 WWNYRKITKCASKY-MRXNPFEDSA-N 468.336 6.439 50 10 JKGE Cc1ccc2nc(-c3ccc(NC=C(C#N)C(=O)Nc4ccc(C(=O)O)cc4)cc3)sc2c1 2324319125 DBMLWNLHWIYYSO-UHFFFAOYSA-N 454.511 5.428 50 10 JKGE CC(=O)c1ccc(NC(=O)C(C#N)=CNc2ccc(-c3nc4ccc(C)cc4s3)cc2)cc1 2325318852 UVKRKMNZMKWLFF-UHFFFAOYSA-N 452.539 5.932 50 10 JKGE COc1ccc(CCNC=C(C#N)C(=O)Nc2ccccc2Sc2ccccc2)cc1OC 2325336014 LKTULIWAGADYJY-UHFFFAOYSA-N 459.571 5.033 50 10 JKGE COC(=O)c1ccc2c(O)nc(C(C#N)=Cc3cccc(OCc4ccc(C)cc4)c3)nc2c1 2331045498 ZXFLUHULPFCSHP-UHFFFAOYSA-N 451.482 5.074 50 10 JKGE COc1c(Cl)cc(-c2csc(C(C#N)=C(O)c3cc([N+](=O)[O-])ccc3Cl)n2)cc1Cl 2331397989 QPOZOLJKKNKAKO-UHFFFAOYSA-N 482.732 6.637 50 10 JKGE COc1ccc(-c2csc(C(C#N)=C(O)COc3ccc(Cl)cc3Cl)n2)c(OC)c1OC 2331412917 TZVWBEFZKHBHOI-UHFFFAOYSA-N 493.368 6.014 50 10 JKGE COc1cccc(C=C(C#N)c2nc(-c3ccccc3Cl)cs2)c1OCc1cccc(C)c1 2331430548 IAARSDNLULRYAK-UHFFFAOYSA-N 472.997 7.424 50 10 JKGE FC1(F)CCC[C@@H]2[C@@H]([C@@H](Br)c3ccc(Br)cc3Br)[C@@H]21 2333145758 BVRPMCZANAXTNH-JHEVNIALSA-N 458.966 6.329 50 10 JKGE FC1(F)CCCCC[C@H]1[C@@H](Br)c1ccc(OCc2ccccc2)cc1Br 2336079533 UTQKQKWDXAVXGE-ICSRJNTNSA-N 488.210 7.680 50 10 JKGE CCCc1sc(Br)cc1[C@H](Cl)c1cc(I)ccc1F 2338031992 RGJCIZWHXURNQS-CQSZACIVSA-N 473.576 6.535 50 10 JKGE Cc1cc(Br)c([C@@H](Cl)c2c(C)cc(Br)c(F)c2Br)s1 2339640175 VMBQPAUZUQSMTC-NSHDSACASA-N 491.445 7.120 50 10 JKGE Fc1cc(Cl)c([C@H](Br)c2ccc(Br)cc2Br)c(Cl)c1 2340797493 CYHANXKSMNDOKO-CYBMUJFWSA-N 491.807 7.142 50 10 JKGE Clc1ccc(CN2C[C@@H](Br)CC3(CCC3)C2)c(I)c1 2341048343 JGIWEDQPEWNOJB-LBPRGKRZSA-N 454.577 5.084 50 10 JKGE O=C(CCc1cc(Cl)cc(Cl)c1)N[C@H](CCBr)COCc1ccccc1 2343416007 KLSAMJXMADGGDF-LJQANCHMSA-N 459.211 5.413 50 10 JKGE ClC[C@@H]1CCCC[C@H]1CNCc1ccc(I)c(Br)c1 2349845701 RINHFEFZVIPPSA-STQMWFEESA-N 456.593 5.189 50 10 JKGE CC12CC([C@@H](Br)c3cc(Br)ccc3OCc3ccccc3)(C1)C1(CCC1)O2 2361199736 CMFFIKLGWPRJNZ-HWELCPFYSA-N 492.251 6.956 50 10 JKGE CC(C)(C)[C@@H]1CC[C@H](Br)[C@H](Cc2ccc(Cl)c(I)c2)C1 2362435234 CZUZOYUBKMGLOE-MCIONIFRSA-N 469.632 6.713 50 10 JKGE Cc1cc(Br)c(F)c(Br)c1[C@@H](Br)C1CC2(C1)CC2(F)F 2365224483 YUHOUDZMJIANIJ-JRIBOLAGSA-N 476.956 6.531 50 10 JKGE COC(C)(C)C1([C@@H](Br)c2c(F)cc(Br)c(F)c2Br)CC1 2369559322 HJMHXBSFZKUUCL-LBPRGKRZSA-N 476.981 6.131 50 10 JKGE CC(C)(C)OC(=O)N(CC(F)F)[C@@H]1CCCN(C[C@@](C)(CBr)C(C)(C)C)C1 2380167421 GUGVPNZWQLNYGQ-FOIQADDNSA-N 455.428 5.400 50 10 JKGE CC(C)(C)OC(=O)N1CCC12CCS(=O)(=NC[C@](C)(CBr)C(C)(C)C)CC2 2380203359 QOZCOPIVQJIDCK-DIQZNMANSA-N 465.498 5.075 50 10 JKGE Clc1ccc(I)cc1CN1[C@H](CBr)C[C@H]2CCCC[C@H]21 2380513117 RIRFWYUZEAARKE-DIOULYMOSA-N 468.604 5.473 50 10 JKGE COc1ccc(C)cc1N(C(=O)CCl)[C@H](C(=O)NC1CCCCC1)c1ccc(Cl)cc1 3035285 GYOMKKXCAZKRLE-QHCPKHFHSA-N 463.405 5.419 50 10 JKGE CCOC(=O)/C(C#N)=C/c1ccc(NP2(=O)C=C(c3ccccc3)OC(c3ccccc3)=C2)cc1 13114380 QYAGSLXEKQBLMA-JJIBRWJFSA-N 482.476 6.874 50 10 JKGE C[C@H](Oc1ccc(-c2ccccc2)cc1)C(=O)NNC(=O)c1ccc(NC(=O)C2CCCCC2)cc1 14038708 JYOOAYXDTJRGTP-FQEVSTJZSA-N 485.584 5.101 50 10 JKGE COc1ccc(/C(C#N)=C\c2cccc(OC(=O)/C=C/c3ccc(OCc4ccccc4)cc3)c2)cc1 31903180 GPWNXVNIPHFTRF-WFIQJISDSA-N 487.555 6.957 50 10 JKGE COc1cc(/C=N\NC(=O)CSc2nc3ccccc3s2)ccc1OCc1ccccc1Cl 32519859 OTYHHGXLEBUTPT-ZMFRSBBQSA-N 498.029 5.780 50 10 JKGE CCCOc1ccc(-c2nn(-c3ccccc3)cc2/C=C(/C#N)c2nc(O)c3ccccc3n2)cc1F 34988466 SREPJNBYPYEALS-HKWRFOASSA-N 491.526 6.180 50 10 JKGE N#C/C(=C/c1cccn1-c1ccc([N+](=O)[O-])cc1)c1nc(-c2ccc(Br)cc2)cs1 35518634 YADLEBQTPUMJDP-VBKFSLOCSA-N 477.343 6.336 50 10 JKGE CCCCOc1cccc(C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@@H]3c2ccc(OCC)cc2)c1 38685896 AFPIQHFSFOVDAP-HHHXNRCGSA-N 484.552 5.702 50 10 JKGE N#CC1=C(N)Oc2cc(OC(=O)c3cccs3)ccc2[C@H]1c1cccc(OCc2ccccc2)c1 38686554 DRUKSMLHSZQGRP-AREMUKBSSA-N 480.545 5.764 50 10 JKGE CN(C)c1ccc(/C=N/NC(=O)CSc2nc(-c3ccccc3)c(-c3ccccc3)[nH]2)cc1 39372243 AEGUYHUJJWCGKB-WPWMEQJKSA-N 455.587 5.052 50 10 JKGE CCOC(=O)c1ccccc1NC(=O)c1oc2c(c1C)/C(=N/NC(=O)c1ccc(Cl)cc1)CCC2 40811705 YONSVIWDPBPPRT-ZTKZIYFRSA-N 493.947 5.141 50 10 JKGE COc1ccc(NC(=O)c2oc3c(c2C)/C(=N/NC(=O)c2ccc(Br)cc2)CCC3)cc1 40811806 XXZYSEZXFCVHOO-ZXVVBBHZSA-N 496.361 5.082 50 10 JKGE Cc1c(C(=O)Oc2cccc3ccccc23)oc2c1/C(=N/NC(=O)c1ccc(O)cc1)CCC2 40812104 WPCRXLBOABTPCM-SGWCAAJKSA-N 454.482 5.136 50 10 JKGE COc1cc(/C=N/NC(=O)COc2cc(C)ccc2C(C)C)ccc1OCc1ccccc1C 40911517 AZEAARRQWQPPEW-MUFRIFMGSA-N 460.574 5.544 50 10 JKGE COc1cc(/C=N/NC(=O)c2cc3ccccc3o2)cc(Br)c1OCc1ccc(F)cc1 59304679 OSZWVMBKZBCYCK-UVHMKAGCSA-N 497.320 5.686 50 10 JKGE O=C(N/N=C/c1ccc(OCc2cccc3ccccc23)cc1)C(O)(c1ccccc1)c1ccccc1 59447393 GUNQLRMLDMHBDC-STKMKYKTSA-N 486.571 5.805 50 10 JKGE COc1ccc(-c2nn(Cc3ccc(F)cc3)cc2/C=C(/C#N)C(=O)Nc2ccccc2C)cc1OC 96438304 LTRKWKJXWOYWJB-HMAPJEAMSA-N 496.542 5.609 50 10 JKGE CCN(CC)C(=O)Oc1ccc2c(ccn2Cc2cccc(F)c2)c1NC(=O)C(Cl)Cl 97941671 KFKMZBCHOJWMKU-UHFFFAOYSA-N 466.340 5.412 50 10 JKGE COc1ccc2cc(/C(C)=N\NC(=O)c3ccccc3OCc3ccc(Cl)cc3)ccc2c1 97991823 WUWLNHRPQTTWLW-MIXAMLLLSA-N 458.945 6.235 50 10 JKGE CCc1ccc(N2C(=O)[C@@H](Cc3ccccc3Cl)S/C2=C(/C#N)C(=O)NCc2ccco2)cc1 101242046 PAQQLMZBEWRAIQ-GFPZRUSRSA-N 492.000 5.238 50 10 JKGE CC(C)c1ccc(N2C(=O)[C@H](Cc3ccccc3F)S/C2=C(/C#N)C(=O)NCc2ccco2)cc1 101242153 JYEVETOWXPHVNU-MZOFLMDJSA-N 489.572 5.285 50 10 JKGE COc1cc(/C=N/NC(=O)[C@H]2[C@@H]3CCCC[C@]32C)ccc1OCc1ccc(Cl)cc1Cl 105509677 FCIIGKDETAEHNI-MAJVGPGNSA-N 461.389 5.857 50 10 JKGE Fc1cccc(Cl)c1[C@H](Br)c1cc(Br)ccc1Br 109844646 XNIYBGXZGQWUFD-CYBMUJFWSA-N 457.362 6.488 50 10 JKGE CCc1nn(C)c(C[C@@H](CBr)c2cccc(Br)c2)c1Br 118859379 OYGQFGMHCBPLMA-NSHDSACASA-N 465.027 5.229 50 10 JKGE COc1ccc([C@@H](Cl)c2cc(Br)ccc2Br)c(Br)c1 161074442 VBRUPGZEPJYUOW-CQSZACIVSA-N 469.398 6.311 50 10 JKGE Fc1cc(Br)cc([C@@H](Br)c2cc(Br)cc3c2OCC3)c1 228444015 RUXAPXSRNUZDPH-CQSZACIVSA-N 464.954 5.770 50 10 JKGE COc1ccc(C(=O)Oc2ccc3ccccc3c2C=NNC(=O)c2cccc3ccccc23)cc1 254607179 QNPVTURQJDOWET-UHFFFAOYSA-N 474.516 5.985 50 10 JKGE Cc1cc(C=NNC(=O)c2ccc(C#N)cc2F)c(C)n1-c1ccc(C23CC4CC(CC(C4)C2)C3)cc1 254616749 UBGXWJHXGKDKAG-UHFFFAOYSA-N 494.614 6.337 50 10 JKGE CCCCCCCCCCCC(=O)NN=Cc1ccc(OC(=O)c2ccc(OC)c(OC)c2)cc1 254765570 ZKHLQNXZHAPBMG-UHFFFAOYSA-N 482.621 6.294 50 10 JKGE O=C(Nc1ccc(Br)c(I)c1)c1ccc(CBr)cc1 306026544 VFWQUXDTXOZRSK-UHFFFAOYSA-N 494.952 5.201 50 10 JKGE Brc1cc2c(cc1[C@H](Br)c1ccc(OCc3ccccc3)cc1)CCO2 308433989 IROHANPZWMGRKE-JOCHJYFZSA-N 474.192 6.447 50 10 JKGE C[C@@H](Cl)C[C@@H]1CCCCN1C(=O)c1cc(I)ccc1Br 312954766 LNLYBEJTWGNZEG-PWSUYJOCSA-N 470.576 5.066 50 10 JKGE Cl[C@@H](Cc1cccc(Br)c1)c1cc(I)cc2c1OCC2 380013036 RUKWKQUCUMEZKY-HNNXBMFYSA-N 463.540 5.511 50 10 JKGE Fc1cccc(Cl)c1[C@@H](Br)c1scc(C(F)(F)F)c1Br 383765566 IKVJRRGFBWFTCL-SNVBAGLBSA-N 452.492 6.806 50 10 JKGE FC(F)(F)c1ccc2c(c1)nc(CCl)n2CCCN(Cc1ccccc1)Cc1ccccc1 390603964 WYWKIQRMFPNIIJ-UHFFFAOYSA-N 471.954 6.886 50 10 JKGE Clc1cc(Br)ccc1Oc1cccc(Br)c1CBr 394692741 CAWXPUKZOIMUPW-UHFFFAOYSA-N 455.371 6.552 50 10 JKGE Fc1ccc([C@H](Cl)c2c(Br)cc(F)c(F)c2F)c(I)c1 398481736 UWTWCYLBMVTNRR-NSHDSACASA-N 479.436 5.938 50 10 JKGE ClC[C@@H](Cc1cc(Cl)ccc1I)c1cccc(Br)c1 405496610 BHNCRDCYSNDFRM-GFCCVEGCSA-N 469.975 6.272 50 10 JKGE C=C1[C@@H](O)[C@@H]2/C=C/C[C@H](C)CCC[C@H](C)/C=C/C(=O)O[C@]23C(=O)C[C@H](Cc2ccccc2)[C@@H]3[C@@H]1Cl 675046177 UXVDBQLLXVKPRS-WXVFZRHISA-N 497.075 5.829 50 10 JKGE COCc1cc(Br)c([C@H](Br)Cc2ccc(Br)cc2F)s1 688093150 OKPMDYKWCPTOKP-LLVKDONJSA-N 487.026 6.237 50 10 JKGE C[C@H](Br)[C@@H]1CCCCN1C(=O)c1cc(Br)c(Br)s1 688853183 UBDZZZPUSYCMLN-CBAPKCEASA-N 460.029 5.051 50 10 JKGE CO[C@@](C)(COCc1ccccc1)Cn1c([C@H](C)Cl)nc2cc(I)ccc21 702782196 BUKVTLABGSCUSV-YCRPNKLZSA-N 498.792 5.563 50 10 JKGE Fc1cc(Cl)c([C@@H](Br)c2scc(Br)c2Br)cc1F 705440369 ZPEVMHDEKSVNNU-SECBINFHSA-N 481.381 6.689 50 10 JKGE CCOc1ccc(Br)cc1[C@@H](Cl)c1scc(Br)c1Br 705466397 PPTPODUSFLSFSO-GFCCVEGCSA-N 489.454 6.763 50 10 JKGE BrCC(CBr)(Cc1ncc(Br)s1)C1CCCCCC1 713638355 JWNMAYAILOYRIS-UHFFFAOYSA-N 474.100 6.195 50 10 JKGE Cc1sc([C@H](Br)c2sccc2I)c(C)c1Br 724910856 WEIVARBZIVDQQT-VIFPVBQESA-N 492.039 6.278 50 10 JKGE Cc1ccc(C(C)C)c(OCC(=O)NN=C2C(=O)N(C/C=C\c3ccccc3)c3ccccc32)c1 1083846977 YNSZMLZYKDIPLZ-VDJAXONMSA-N 467.569 5.078 50 10 JKGE C[C@@H](Oc1ccc(Cl)cc1Cl)C(=O)NN=Cc1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1 1084174984 BEANPWBLBSHQOY-CQSZACIVSA-N 465.421 6.212 50 10 JKGE Cc1ccc(NC(=O)/C(C#N)=C\c2ccc(OCc3ccccc3C#N)c(Br)c2)cc1C 1084435398 HPBBHUXRSAHYIJ-UUYOSTAYSA-N 486.369 6.062 50 10 JKGE COC[C@@H](C)n1c(C)cc(/C=C(/C#N)C(=O)Nc2nc(-c3c(C)[nH]c4ccccc34)cs2)c1C 1086980407 YKKFEGLXRKZJGP-IWEBCOIVSA-N 473.602 5.771 50 10 JKGE Cc1c(C(=O)Oc2ccc(F)cc2)oc2c1C(=NNC(=O)c1ccc(Br)cc1)CCC2 1772744757 JDOWSZCGBPPHOT-UHFFFAOYSA-N 485.309 5.179 50 10 JKGE CCc1ccccc1OCC(=O)NN=Cc1ccc(OCc2c(Cl)cccc2Cl)c(OC)c1 1772753456 IXNZBZLJZUGAOK-UHFFFAOYSA-N 487.383 5.673 50 10 JKGE N#CSc1ccc(NC(=O)Oc2cccc3c(NC(=O)CCC4CCCCC4)cccc23)cc1 1858774951 GGEKLVZNTQGNNZ-UHFFFAOYSA-N 473.598 7.323 50 10 JKGE N#CSc1ccc(NC(=O)Oc2ccc(CNC(=O)c3cccc(Br)c3)cc2)cc1 1858896034 FCDFHUBYAJEOCV-UHFFFAOYSA-N 482.359 5.563 50 10 JKGE COc1ccc(-c2nn(-c3ccc(C)cc3)c3c2[C@H](c2cc(Cl)ccc2O)C(C#N)=C(N)O3)cc1 1865689218 MWBAANWZVWRSAX-HSZRJFAPSA-N 484.943 5.434 50 10 JKGE CCCCCOc1ccc([C@@H]2C(C#N)=C(N)Oc3c2c(C)nn3-c2ccc(Br)cc2)cc1 1865690266 NBOIDPQIDBEJGJ-HSZRJFAPSA-N 493.405 5.730 50 10 JKGE CCCOc1ccc([C@H]2C(C#N)=C(N)Oc3c2c(CC)nn3Cc2ccc(F)cc2)cc1OCC 1865691418 RGAQNLRHXQWTKX-DEOSSOPVSA-N 476.552 5.039 50 10 JKGE CCCCCOc1ccc([C@@H]2C(C#N)=C(N)Oc3c2c(C)nn3Cc2ccc(C)cc2)cc1OCC 1865691436 SADYZRBNQAAFPJ-HHHXNRCGSA-N 486.616 5.734 50 10 JKGE CCOc1cc([C@H]2C(C#N)=C(N)Oc3c2c(C)nn3Cc2ccccc2)ccc1OCc1ccccc1 1865694713 ZTMMJVPIHLGJEW-NDEPHWFRSA-N 492.579 5.436 50 10 JKGE COc1ccc(-c2nn(Cc3cccc(F)c3)c3c2[C@@H](c2c[nH]c4ccccc24)C(C#N)=C(N)O3)cc1 1865699962 HOJDTFWSDDMHET-RUZDIDTESA-N 491.526 5.446 50 10 JKGE CCc1nn(-c2ccc(C)cc2)c2c1[C@H](c1ccc(OC(=O)c3ccccc3)cc1)C(C#N)=C(N)O2 1865704740 CUTQFFNEFVOEAS-RUZDIDTESA-N 476.536 5.181 50 10 JKGE CC(C)Oc1ccccc1[C@H]1C(C#N)=C(N)Oc2c1c(-c1ccccc1)nn2-c1cccc(Cl)c1 1865705552 YXXARNHZFUVYQY-DEOSSOPVSA-N 482.971 6.198 50 10 JKGE CCc1nn(-c2ccc(Cl)c(Cl)c2)c2c1[C@@H](c1cc(Cl)c(O)c(OC)c1)C(C#N)=C(N)O2 1865706843 GYFASKKKTSCIFT-SFHVURJKSA-N 491.762 5.327 50 10 JKGE CCCc1nn(Cc2ccc(Cl)c(Cl)c2)c2c1[C@@H](c1ccc([N+](=O)[O-])cc1)C(C#N)=C(N)O2 1865712942 MRVKFUWDWXTCOP-FQEVSTJZSA-N 484.343 5.317 50 10 JKGE Cc1nc(-c2ccc(Cl)cc2Cl)ccc1C(=O)NNC(=O)c1ccccc1C(F)(F)F 1865759635 KLJWNBBYXWBOPB-UHFFFAOYSA-N 468.262 5.457 50 10 JKGE COc1ccc([C@H](C(=O)N[C@H](C(=O)Nc2ccc(SC#N)cc2)c2ccccc2)C2CCCC2)cc1 1867012360 XQHCRMQWTITUJJ-SXOMAYOGSA-N 499.636 6.038 50 10 JKGE CC(C)C[C@@H](CC(=O)N[C@@H](C(=O)Nc1ccc(SC#N)cc1)c1ccccc1)c1ccc(F)cc1 1867104584 PGCSXODFJQXCBB-WXVAWEFUSA-N 489.616 6.415 50 10 JKGE CC(C)N1CCN(c2cc(Nc3ccc(SC#N)cc3)nc(C(C)(C)C)n2)c2ccccc21 1868342406 UUCVVISBHFCLSH-UHFFFAOYSA-N 458.635 6.457 50 10 JKGE C[C@@H]1Cc2ccccc2N(c2cc(Nc3ccc(SC#N)cc3)nc(-c3ccc(Cl)cc3)n2)C1 1868434027 VKADLJHBNOUZNX-GOSISDBHSA-N 484.028 7.444 50 10 JKGE N#CSc1ccc(Nc2cc(N3CCO[C@H](c4ccccc4)C3)nc(-c3ccc(F)cc3)n2)cc1 1868456115 KMEHBCPQCPXNAM-DEOSSOPVSA-N 483.572 6.177 50 10 JKGE COc1c(C)cc(C)cc1-c1csc(/C(C#N)=C(\O)CCCOc2ccc(Cl)cc2Cl)n1 1872754600 ACJQIWQZLGWHQK-UZYVYHOESA-N 489.424 7.394 50 10 JKGE CCOc1ccc(-c2csc(/C(C#N)=C(\O)CCCOc3ccc(C)cc3)n2)c(OCC)c1 1872755530 RUMMQKNQHMQMSC-GYHWCHFESA-N 464.587 6.568 50 10 JKGE CCCCCCCOc1ccc(-c2csc(/C(C#N)=C/c3cn(C)c4ccccc34)n2)cc1 1872791911 WBLXHRMLYOGMJG-OQKWZONESA-N 455.627 7.715 50 10 JKGE CC(C)(C)OC(=O)N[C@@H](CCl)Cc1ccc(OCc2ccccc2)c(OCc2ccccc2)c1 1883109840 DWWOKMWYCQNXAT-XMMPIXPASA-N 482.020 6.519 50 10 JKGE Brc1cc(OCc2ccccc2)ccc1[C@@H](Br)C1(Br)CC1 1886869405 JAZLQWHGFMEIKD-MRXNPFEDSA-N 475.018 6.392 50 10 JKGE Cc1c(Cl)sc(Cl)c1[C@@H](Br)c1sccc1I 1899888262 KVWUAZYYFCCKRG-SSDOTTSWSA-N 468.006 6.514 50 10 JKGE Cc1cc(Br)c(S(=O)(=O)N(Cc2ccccc2)C[C@H](C)Cl)cc1Br 1914664335 RJHRODRCRKLMSW-ZDUSSCGKSA-N 495.664 5.338 50 10 JKGE CC[C@H](Br)CN(Cc1ccccc1)Cc1c(Br)cccc1Br 1915097240 SAJRYVXEKYPRMC-HNNXBMFYSA-N 490.077 6.387 50 10 JKGE O=S(=O)(c1cc(Cl)cc(Cl)c1)N(Cc1ccccc1)[C@H](CBr)C1CC1 1915171003 VQTCPSCHRDGXEV-GOSISDBHSA-N 463.224 5.358 50 10 JKGE CC(C)[C@H](CBr)N(Cc1ccccc1)Cc1cc(Br)cc2c1OCC2 1915266763 DFQLBZMLDLLCCW-FQEVSTJZSA-N 467.245 5.806 50 10 JKGE CC(C)[C@@H](CCl)N(Cc1ccccc1)Cc1c(Br)cccc1Br 1915299692 HNDXNNSJLZVEJG-LJQANCHMSA-N 459.653 6.477 50 10 JKGE CC[C@H](C[C@@H](Br)c1c(Br)sc(Br)c1Cl)C(C)(C)C 1923061094 HRSLWWROVXACBH-HTQZYQBOSA-N 481.519 7.825 50 10 JKGE Clc1c(Br)sc(Br)c1[C@@H](Br)[C@H]1C[C@@H]2CC[C@H]1O2 1923065317 AXUQMHGENIDLEO-FEEAIGFJSA-N 465.432 5.930 50 10 JKGE COc1cccc(C[C@H](Br)c2c(Br)sc(Br)c2Cl)c1 1923067315 AYHPPJYMDGDZIA-VIFPVBQESA-N 489.454 6.614 50 10 JKGE C[C@@H](c1ccncc1Br)[C@H](Br)c1cccc(F)c1I 1924052623 NNDSDCFBFMTXEB-SDBXPKJASA-N 498.959 5.828 50 10 JKGE Cc1cc(Br)c([C@H](Cl)c2cscc2OCc2ccccc2)cc1Br 1950321558 TYUGTTBDDHBPPL-IBGZPJMESA-N 486.656 7.489 50 10 JKGE Cc1c(Br)sc([C@@H](Br)CC(F)(F)C(F)F)c1Br 2001807461 NPLQRJUBIYZXRJ-BYPYZUCNSA-N 462.926 6.308 50 10 JKGE Brc1cc([C@@H](Br)c2ncn3ccsc23)sc1Br 2024756726 ZKFUEQHTBCILEY-SSDOTTSWSA-N 457.010 5.467 50 10 JKGE BrCC(CBr)(Cc1ccsn1)c1cccc(Br)c1 2035785407 NGVDEOVEHLYLJO-UHFFFAOYSA-N 454.025 5.176 50 10 JKGE Cc1cc(Br)c(CBr)c(N2C[C@H]3C[C@@H](C2)N(Cc2ccccc2)C3)c1 2067537809 JYILIGZUAHOOII-ROUUACIJSA-N 464.245 5.363 50 10 JKGE Clc1c(CBr)cccc1OCc1ccc(Br)cc1Br 2092266538 LXBQFBGCHXKUPG-UHFFFAOYSA-N 469.398 6.339 50 10 JKGE F[C@@H]1CC[C@@H](CC(CBr)(CBr)c2ccccc2Br)C1 2093928640 UHZZBMXXIVFHHO-VXGBXAGGSA-N 457.019 6.005 50 10 JKGE COc1ccc([C@@H](Br)c2c(Br)cccc2Br)c(F)c1 2094091830 YMRKIQGIRXJOLA-CQSZACIVSA-N 452.943 5.844 50 10 JKGE ClCCc1nc2cc(Br)c(Cl)cc2n1[C@@H]1CC[C@@H]1OCc1ccccc1 2103807992 QOPQVZNJCUGDLH-MJGOQNOKSA-N 454.195 6.154 50 10 JKGE C[C@H](Cl)c1nc2cc(Br)c(Cl)cc2n1C[C@@H](C)COCc1ccccc1 2103814928 IPEVBACRTWMJKO-KGLIPLIRSA-N 456.211 6.605 50 10 JKGE Clc1cccc(Cl)c1C[C@H](Br)c1c(Br)cccc1Br 2104777879 ORQAEYURVJYRRM-NSHDSACASA-N 487.844 7.197 50 10 JKGE C[C@@H]1CO[C@@H](CC(CBr)(CBr)c2cccc(Br)c2)C1 2110063775 FTBHAXNKPYGTFW-SMDDNHRTSA-N 455.028 5.292 50 10 JKGE Fc1c(Cl)cccc1C[C@@H](Br)c1ccc(I)c(Cl)c1 2113464071 SBEVGJOJMOKAAI-SNVBAGLBSA-N 473.938 6.416 50 10 JKGE C[C@H]1CN(C(=O)c2cc(Br)sc2Br)CC[C@@H]1CCBr 2115846377 ZYPFUYORNSINCR-IUCAKERBSA-N 474.056 5.156 50 10 JKGE C[C@H]1Cc2cc(Br)cc([C@H](Br)c3cc(Br)cs3)c2O1 2115939126 AMQWPIMCSBMXNY-CPFSXVBKSA-N 467.020 6.081 50 10 JKGE FC1(F)CC[C@@H](Cc2ccc(I)c(Cl)c2)[C@H](Br)CC1 2142954102 VIIVEXADDUVMQI-WDEREUQCSA-N 463.531 6.076 50 10 JKGE CC(C)(C[C@@H](Br)c1cc(I)cc2c1OCC2)C(F)(F)F 2150419400 KGGJFWSWBXZNIT-LLVKDONJSA-N 463.075 5.641 50 10 JKGE CCc1cc([C@H](Br)c2ccc(F)cc2I)c(F)cc1F 2175376609 VDHNFKOSCOENHW-OAHLLOKOSA-N 455.055 5.755 50 10 JKGE CC(C)c1ccc([C@@](C)(CI)OCCOCCOCc2ccccc2)cc1 2176833776 AZYYMDKAUKTTMG-HSZRJFAPSA-N 482.402 5.710 50 10 JKGE C[C@@H](c1cccs1)N(Cc1ccccc1)S(=O)(=O)c1ccc(CBr)cc1F 2179786995 IHHKFTNUIWUVDX-HNNXBMFYSA-N 468.413 5.734 50 10 JKGE BrCc1cc(Br)cc(Br)c1OCC1C[C@@H]2CC[C@H](C1)O2 2181276904 PUVAFAKJSKAFMK-MVCUKOFQSA-N 469.011 5.443 50 10 JKGE C[C@H](Cl)c1nc2cc(I)ccc2n1[C@H]1C[C@@H](C)CN(Cc2ccccc2)C1 2184260842 PRCWEHGCZDQJAZ-GJYPPUQNSA-N 493.820 6.024 50 10 JKGE O=C(c1cc(Br)c(Br)s1)N1CC[C@@H]2CC[C@H](Br)C[C@H]2C1 2204095025 LRFFHNIBAQVXES-GUBZILKMSA-N 486.067 5.299 50 10 JKGE Cc1cc(Br)c([C@@H](Br)c2ccc(C)c(I)c2)s1 2212991691 BAYCVOMHIZKHPU-LBPRGKRZSA-N 486.010 6.216 50 10 JKGE FC1(F)CCC[C@@H](c2sc(Br)c(Br)c2Br)[C@H]1Cl 2216419398 KJGOYEXGUSTSTA-RNHFCUEFSA-N 473.402 6.546 50 10 JKGE Clc1cc(Br)c([C@@H](Br)CC[C@H]2CCCO2)c(Cl)c1Cl 2224302757 OMRYISXMLJVJMM-SFYZADRCSA-N 451.413 6.805 50 10 JKGE Clc1cc(Br)c([C@@H](Br)C2COCCOC2)c(Cl)c1Cl 2224316251 BSERKJGEPKZKSU-JTQLQIEISA-N 453.385 5.508 50 10 JKGE C[C@@H]1CCC[C@H]([C@@H](Br)c2c(Br)cc(Cl)c(Cl)c2Cl)O1 2226836571 ZJJLCYOZQCFOAV-KNBVPPQFSA-N 451.413 6.803 50 10 JKGE Clc1ccc([C@H](Cl)c2c(Br)cc(Cl)c(Cl)c2Cl)cc1Cl 2232513807 RUWPWXDSUUXZAX-NSHDSACASA-N 453.805 8.044 50 10 JKGE Fc1cc(Br)c2nc(CCCl)n(C[C@H]3CC3(Br)Br)c2c1 2233041727 UREHNOUUDIMWLV-SSDOTTSWSA-N 489.408 5.225 50 10 JKGE Cc1sc([C@H](Br)c2cc(Br)cc3c2O[C@@H](C)C3)cc1Br 2234480152 PGTIRONTEHVSBA-JKYUHCHBSA-N 481.047 6.389 50 10 JKGE COc1ccc(Br)cc1[C@H](Br)c1cc(C)c(Br)c(C)c1 2235679441 QXTBETUDRJZXRU-MRXNPFEDSA-N 463.007 6.321 50 10 JKGE Cc1ccc([C@@H](C)[C@H](Br)c2cc(Br)c(C)cc2Br)cc1 2240822731 BQLVPWFPMJIKOQ-PXAZEXFGSA-N 461.035 7.068 50 10 JKGE Brc1ccccc1[C@H](CI)O[C@@H]1CCN(Cc2ccccc2)C1 2244803279 YGHHTDVOBOKCFF-APWZRJJASA-N 486.191 5.216 50 10 JKGE Cc1c(Br)sc([C@H](Br)C[C@H]2CCCCC23CC3)c1Br 2264950920 ZYTCVBIYQOVAIS-GHMZBOCLSA-N 471.096 7.378 50 10 JKGE Fc1cc(Br)c(Cl)cc1[C@H](Cl)c1ccc(Cl)c(I)c1 2268279756 MKQKXJNIJDYVDU-CYBMUJFWSA-N 494.356 6.828 50 10 JKGE COc1ccc([C@@H](Cl)Cc2ccccc2I)cc1I 2269547097 CELQVEZADPNGBQ-LBPRGKRZSA-N 498.529 5.427 50 10 JKGE CC(C)(C)C(C)(C)[C@@H](Br)c1c(F)cc(Br)c(F)c1Br 2272737469 CLZFPQVTVJYNDM-LBPRGKRZSA-N 462.998 6.998 50 10 JKGE Cc1cc(Br)c([C@@H](Br)c2cccc(Br)c2F)c(C)c1F 2279146412 JIRGURYAMFDLQH-ZDUSSCGKSA-N 468.961 6.591 50 10 JKGE COc1ccc([C@@H](Br)c2ccc(Br)c(F)c2)c(Br)c1Cl 2283564532 UEYNNYVUNSQPIJ-LBPRGKRZSA-N 487.388 6.497 50 10 JKGE O=C(c1cc(Br)c(Br)s1)N1CCC2(CC[C@@H](Br)C2)CC1 2288059260 KLMZVMNQNIRJAL-SECBINFHSA-N 486.067 5.443 50 10 JKGE CCCCCCCC[C@@H](Br)c1c(F)cc(Br)c(F)c1Br 2288376254 LKNMEPRTHVEPDU-SNVBAGLBSA-N 477.025 7.676 50 10 JKGE CC(C=NNC(=O)CSc1nnc(-c2ccccc2)n1-c1ccc(Cl)cc1)=Cc1ccccc1 2293225703 IMNPQHZHBNSKRO-UHFFFAOYSA-N 488.016 5.885 50 10 JKGE Cc1cc(C=C(C#N)C(=O)N2CCN(c3ccccc3)CC2)c(C)n1-c1sc2c(c1C#N)CCCC2 2295176452 PETIAHSEZKQEMI-UHFFFAOYSA-N 495.652 5.162 50 10 JKGE C[S@@](=O)(=NC=C(C#N)C(=O)c1ccc(Cl)cc1)c1ccc(OC(=O)c2ccc(Cl)cc2)cc1 2297564356 YNUHYJGSHKMVJQ-XIFFEERXSA-N 499.375 5.960 50 10 JKGE Brc1ccc(OCc2ccccc2)c([C@H](Br)[C@H]2C[C@@H]3C[C@@H]3CO2)c1 2299525969 SWFVQCDSLJXWFQ-BWMZKYQQSA-N 452.186 5.889 50 10 JKGE CCCc1sc(Br)cc1[C@H](Br)c1cc(Br)cs1 2300651158 UVDDESDGWROGOM-LBPRGKRZSA-N 459.066 6.771 50 10 JKGE FC1(F)CCC[C@@H]1C[C@@H](Br)c1sc(Cl)cc1I 2300957064 JKDUTUCBYBGYRX-RNFRBKRXSA-N 455.533 6.268 50 10 JKGE C[C@@H]1CC([C@@H](Br)c2ccc(OCc3ccccc3)cc2Br)C[C@@H](C)O1 2314456337 WKQZBZANZOITKC-VTJXTGGHSA-N 468.229 6.668 50 10 JKGE Brc1cc(OCc2ccccc2)ccc1[C@H](Br)[C@@H]1CO[C@H]2COC[C@@H]12 2314497114 HSHFXRIKQAOIRI-HNJRGHQBSA-N 468.185 5.126 50 10 JKGE COc1ccc(N2C(=O)[C@@H](Cc3ccc(Cl)cc3)SC2=C(C#N)C(=O)Nc2ccccc2)cc1 2314592017 JVUVRNQYQQMKCY-HSZRJFAPSA-N 489.984 5.414 50 10 JKGE CCOc1ccc(N2C(=O)[C@@H](Cc3cccc(C)c3)SC2=C(C#N)C(=O)NCc2ccccc2)cc1 2314594122 ZJKFDVSWJATLBZ-AREMUKBSSA-N 497.620 5.136 50 10 JKGE CCCCCCCCOc1ccc(C=C2C(=O)N(CCCOC(C)C)C(=O)C(C#N)=C2C)cc1OC 2314617969 DWYGHDNYKABXLB-UHFFFAOYSA-N 496.648 5.842 50 10 JKGE COc1cc(C=C2C(=O)N(Cc3ccccc3Cl)C(=O)C(C#N)=C2C)ccc1OCCC(C)C 2314620333 NEJDRXJLZCSCTL-UHFFFAOYSA-N 478.976 5.566 50 10 JKGE CCCOc1ccccc1C=CC(=O)Oc1ccc(C=C(C#N)c2ccc(Cl)cc2)cc1OC 2314774410 IWQABAAGCRKNTQ-UHFFFAOYSA-N 473.956 6.820 50 10 JKGE Fc1c(Br)cc(Cl)c([C@@H](Br)[C@@H]2CCCCO2)c1Br 2315449555 QPWISUYEVYCKRD-WPRPVWTQSA-N 465.382 6.009 50 10 JKGE CCCOc1ccc(-c2csc(C(C#N)=C(O)c3cc([N+](=O)[O-])c(C)c([N+](=O)[O-])c3)n2)cc1 2331318577 BIYYEJYNQXUBEP-UHFFFAOYSA-N 466.475 5.674 50 10 JKGE COc1ccc(OC)c(-c2csc(C(C#N)=C(O)CCCCCNC(=O)c3ccccc3)n2)c1 2331325265 DIEHGKOTRJUIJJ-UHFFFAOYSA-N 477.586 5.610 50 10 JKGE COc1ccc(CN2C(=O)c3ccc(C(O)=C(C#N)c4nc(-c5cccs5)cs4)cc3C2=O)cc1 2331326294 TYRBFNOHPIKVQH-UHFFFAOYSA-N 499.573 5.626 50 10 JKGE COc1c(Cl)cc(Cl)cc1-c1csc(C(C#N)=C(O)Cc2ccccc2Cl)n1 2331362400 GBWJKGGKVNOPFW-UHFFFAOYSA-N 451.762 6.814 50 10 JKGE C=CCOc1ccccc1OCC(O)=C(C#N)c1nc(-c2cc(C)c(Cl)cc2OC)cs1 2331390039 AUMRTVLIPSSGLQ-UHFFFAOYSA-N 468.962 6.217 50 10 JKGE COc1cc(Cl)c(C)cc1-c1csc(C(C#N)=C(O)[C@H](C)Oc2ccc(Cl)cc2)n1 2331390071 FPSSRZXYTIFKEG-ZDUSSCGKSA-N 461.370 6.694 50 10 JKGE COc1c(C)cc(Cl)cc1-c1csc(C(C#N)=C(O)c2cccc(Oc3ccccc3)c2)n1 2331392203 CEEJMOYRBBFXAV-UHFFFAOYSA-N 474.969 7.523 50 10 JKGE COc1cc(C=C(C#N)c2nc(-c3cccc(Br)c3)cs2)ccc1OC(C)C 2331431898 BQDVXWMJOCUXKZ-UHFFFAOYSA-N 455.377 6.433 50 10 JKGE CCOc1ccc(C=C(C#N)c2nc(-c3ccc(Oc4ccccc4)cc3)cs2)cc1OC 2331464574 SRHIWMVGVQJUPA-UHFFFAOYSA-N 454.551 7.074 50 10 JKGE CCCCOc1ccc(C=C(C#N)c2nc(-c3cc(Cl)c(OC)c(Cl)c3)cs2)cc1OC 2331480357 KRJQVOMUGKCVSM-UHFFFAOYSA-N 489.424 7.377 50 10 JKGE Fc1cc(Br)c(Br)cc1[C@@H](Br)[C@@H]1CC[C@@H]2C[C@H]1CO2 2334115173 GIGNQAKEORNZII-HZFYHNGZSA-N 456.975 5.602 50 10 JKGE Fc1cc(Cl)c(Br)c(Cl)c1[C@@H](Cl)c1cccc(OCc2ccccc2)c1 2335278139 AJDHQIGQYCDIBY-IBGZPJMESA-N 474.584 7.802 50 10 JKGE Brc1ccc(OCc2ccccc2)c([C@@H](Br)c2ccc3scnc3c2)c1 2336054837 VJDHMZXCNZJXMJ-NRFANRHFSA-N 489.232 7.122 50 10 JKGE C[C@]1(C(F)(F)F)C[C@]1(CBr)Cc1ccc(Cl)cc1I 2341050488 NTHXPCNZOZGQKG-RYUDHWBXSA-N 467.494 5.841 50 10 JKGE FC1(F)[C@H]2CC(CBr)(Cc3ccc(Cl)cc3I)C[C@@H]21 2341051662 QIDWEEUCLYPMJP-QWRGUYRKSA-N 461.515 5.544 50 10 JKGE Fc1ccc([C@H](Br)c2sc(Cl)cc2I)c2ccccc12 2363882698 VGGNDLSDRFCWGV-AWEZNQCLSA-N 481.555 6.783 50 10 JKGE COc1c(Br)cc(Cl)c(C)c1[C@H](Cl)c1csc(C)c1Br 2369483324 WYSBRTMJMJFSKZ-CYBMUJFWSA-N 459.030 6.880 50 10 JKGE Clc1ccc(I)cc1CN1C[C@H](CBr)C2(CCCC2)C1 2380512621 NONBWCIREWBKFX-ZDUSSCGKSA-N 468.604 5.332 50 10 JKGE Cc1cc(Br)c(C(C)C)cc1[C@@H](Br)c1cnn(C)c1Br 2380948225 ZPDDJLADHFPECF-CQSZACIVSA-N 465.027 5.861 50 10 JKGE Cc1cc(Br)c(NCC(=O)NN=Cc2ccc(Cl)cc2Cl)c(Br)c1 3131177 XKPKVIOEIZHUTK-UHFFFAOYSA-N 494.014 5.389 50 10 JKGE Cc1cc([C@@H]2C(C#N)=C(N)N(c3cccnc3)C3=C2C(=O)C[C@H](c2ccccc2)C3)c(C)s1 9981749 FVYWYGDELMFZBO-KBMIEXCESA-N 452.583 5.458 50 10 JKGE CCC/C(=N/NC(=O)COc1c(C)cc(Br)cc1Br)c1ccccc1 12483417 GCWBOUFWCGAHES-XLNRJJMWSA-N 468.189 5.219 50 10 JKGE CCCCCCOc1ccccc1C(=O)NC(=S)NNC(=O)c1ccc(-c2ccccc2)cc1 14032978 KELROVOQSYITCA-UHFFFAOYSA-N 475.614 5.262 50 10 JKGE CCCCC/C(=N/NC(=O)c1ccc(NC(=O)c2ccc(C(C)(C)C)cc2)cc1)c1ccccc1 33489320 MNZBPXHZQAHOME-MXNGAVTRSA-N 469.629 6.951 50 10 JKGE N#C/C(=C\c1ccc(-c2cc(Cl)ccc2Cl)o1)C(=O)Nc1ccc(Cl)c(C(F)(F)F)c1 35519463 SDOZPMXQEIKZMI-YRNVUSSQSA-N 485.676 7.471 50 10 JKGE C[C@H](Oc1ccc(F)cc1)C(=O)Oc1ccc2c(c1)OC(N)=C(C#N)[C@@H]2c1ccccc1Cl 38651045 FBFUMHZMCIFZDF-LFVRLGFBSA-N 464.880 5.070 50 10 JKGE CC(C)c1ccc(O[C@H](C)C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@H]3c2ccccc2F)cc1 38652281 OXGJFGFKUKBJCH-QUGAMOGWSA-N 472.516 5.540 50 10 JKGE CC(C)c1ccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4cc5ccccc5oc4=O)ccc32)cc1 38687046 VCTQUDDQMGKWQT-AREMUKBSSA-N 478.504 5.354 50 10 JKGE CCCOc1cccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4ccc(OC)c(Cl)c4)ccc32)c1 38701040 UOMMKLCBKKCOSL-VWLOTQADSA-N 490.943 5.575 50 10 JKGE N#C/C(=C\c1ccc(-c2cc(Cl)cc(Cl)c2)o1)C(=O)Nc1ccccc1C(F)(F)F 39884741 BOFFCJRQODBXAH-UKTHLTGXSA-N 451.231 6.818 50 10 JKGE O=C(N/N=C/c1ccc(-c2ccc([N+](=O)[O-])cc2Cl)o1)c1cc2cc(Br)ccc2o1 59304217 JESCGFUEPJSAHU-AUEPDCJTSA-N 488.681 5.781 50 10 JKGE O=C(/C=C\c1ccccc1)Oc1ccc(Br)cc1/C=N\NC(=O)c1ccc(Cl)cc1 59500446 PLTWGAAVOQPHQW-YJKQMECMSA-N 483.749 5.485 50 10 JKGE CCCCCCCCCCCCCCCCCCNC(=O)N[C@H]1CS(=O)(=O)C[C@H]1Cl 59568210 ZPUGZYLCTRFYAS-YADHBBJMSA-N 465.144 5.952 50 10 JKGE Cc1ccc(N/C(SCc2ccccc2F)=C(\C#N)S(=O)(=O)c2ccccc2)cc1Cl 96482141 XEXHQFZSBXPCTE-FCQUAONHSA-N 472.994 6.299 50 10 JKGE O=C(NC1CCCCC1)[C@@H](c1ccc(Cl)cc1)N(CCc1ccccc1)C(=O)CCCl 97914426 QCLSFLWDAVWWOC-XMMPIXPASA-N 461.433 5.530 50 10 JKGE CC(C)Cc1ccc(-c2csc(/C(C#N)=C\Nc3ccc(Cl)cc3C(=O)c3ccccc3)n2)cc1 102417603 AGOUWESDRLZTEB-QJOMJCCJSA-N 498.051 7.870 50 10 JKGE Fc1cc(Br)ccc1[C@@H](Cl)c1cc(Br)ccc1Br 104041051 JUQLSSLGRCYEBY-CYBMUJFWSA-N 457.362 6.441 50 10 JKGE Cc1ccc(C)c(CS/C(Nc2cc(C)ccc2C)=C(/C#N)S(=O)(=O)c2ccccc2)c1 104689437 KECXETGXKWYUBW-QPLCGJKRSA-N 462.640 6.432 50 10 JKGE C[C@@H](Cl)c1nc2ccc(Br)cc2n1-c1ccc(I)cc1 115769927 DNBNFOAFWQZPDO-SECBINFHSA-N 461.528 5.692 50 10 JKGE Cc1cc(Br)c([C@H](Br)c2cc3sccc3s2)cc1Br 128754959 OTGGVYGOIRIPBW-AWEZNQCLSA-N 481.072 7.281 50 10 JKGE Cc1cc([C@@H](Br)c2cc(Br)ccc2Br)c(Cl)cc1F 161116029 HGDXYEPKIPRZDG-AWEZNQCLSA-N 471.389 6.797 50 10 JKGE COc1ccc([C@@H](C)NC(=O)/C(C#N)=C\Nc2ccc(-c3nc4ccc(C)cc4s3)cc2)cc1OC 217174510 QBEAURKIEFTBBP-TVJQZGFISA-N 498.608 5.986 50 10 JKGE Clc1cc([C@H](Br)c2ccc(I)c(Cl)c2)c(Cl)s1 232343439 KCVSCPCDJMCMJF-SNVBAGLBSA-N 482.395 6.797 50 10 JKGE CCC(=NNC(=O)c1cc(-c2ccc(Cl)cc2Cl)nc2ccccc12)c1cccc(Cl)c1 254480575 XUYQCFFXHAMJHQ-UHFFFAOYSA-N 482.798 7.406 50 10 JKGE Cc1onc(-c2c(Cl)cccc2Cl)c1NC(=O)NN=Cc1c(C)c(C)c(C)c(C)c1C 254483524 KJOPPNVQXLTMHY-UHFFFAOYSA-N 459.377 6.655 50 10 JKGE CCC(C)(C)c1ccc(OCCCC(=O)NN=Cc2ccc(OC)c(OC)c2)c(C(C)(C)CC)c1 254617970 GFFFYNUBMAYCJD-UHFFFAOYSA-N 482.665 6.388 50 10 JKGE Cc1ccc(-c2nnc(SCC(=O)NN=Cc3ccc(C(C)C)cc3)n2-c2ccc(C)cc2)cc1 254736535 CZFOZLMVHFUNBI-UHFFFAOYSA-N 483.641 5.917 50 10 JKGE Cc1ccc(-n2c(SCC(=O)NN=C/C(Cl)=C\c3ccccc3)nnc2-c2ccccc2)cc1 254832855 REDKXFWXKZQCFW-FIGCKISGSA-N 488.016 5.717 50 10 JKGE 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 257372761 APYOKISKLZLBOK-VYIPTNAISA-N 486.741 5.110 50 10 JKGE FC(F)(F)c1csc([C@H](Cl)c2cccc(I)c2)c1Br 306112395 UVCUNEQZHYBKPT-SNVBAGLBSA-N 481.502 6.462 50 10 JKGE C[C@H](Cl)c1nc2cc(I)ccc2n1-c1cncc(Br)c1 312201826 SAQAGXILJSTNAX-QMMMGPOBSA-N 462.516 5.087 50 10 JKGE Fc1cc(Br)cc([C@H](Cl)c2scc(C(F)(F)F)c2Br)c1 312988312 RUHIKIHRIGZPQH-JTQLQIEISA-N 452.492 6.759 50 10 JKGE Clc1cc(Cl)cc([C@@H](Br)c2cc(I)cc3c2OCC3)c1 379962174 GKGLIQOFBHPLQS-CQSZACIVSA-N 483.958 6.017 50 10 JKGE Clc1cc(Br)ccc1[C@@H](Cl)c1cc(I)cc2c1OCC2 380050169 CBYITEWUIMVASE-CQSZACIVSA-N 483.958 5.970 50 10 JKGE C[C@H](Cl)c1nc2cc(I)ccc2n1[C@@H]1C[C@@H](C)N(Cc2ccccc2)C1 397973673 BVVQTGGCQSQZMF-RVKKMQEKSA-N 479.793 5.776 50 10 JKGE CC[C@H](COc1c(Br)cc(Br)cc1CBr)CC(F)(F)F 402533133 WJRRQLWABBRORG-QMMMGPOBSA-N 482.960 6.464 50 10 JKGE C[C@@H]1[C@@H](C)N(Cc2ccccc2)[C@H](C)CN1c1cc(Br)ccc1CBr 404271397 KXIPKIMWQXVVHT-BRWVUGGUSA-N 466.261 5.832 50 10 JKGE COc1ccc(C2=NO[C@@](C)([C@H]3CC=C(C)C(=NNC(=O)c4cc5cc(F)ccc5[nH]4)C3)C2)cc1 575118851 KTLIHWUTBYFXDM-UZTOHYMASA-N 474.536 5.341 50 10 JKGE CC(C)(C)[Si](C)(C)OCCN1CCCC[C@@H](c2ccc(CO[Si](C)(C)C(C)(C)C)cc2)C1 616605827 WDBRKJORQVQJHZ-RUZDIDTESA-N 477.882 7.800 50 10 JKGE Brc1cc([C@@H](Br)c2cc3cscc3s2)sc1Br 694335682 OPSORZZGXPNNKZ-JTQLQIEISA-N 473.074 7.034 50 10 JKGE BrCc1cc(Br)cc(Br)c1OC[C@@H]1CC[C@@H](C2CC2)O1 715471558 VGVJQNRRMHDFTC-JSGCOSHPSA-N 469.011 5.443 50 10 JKGE C[C@@H]1Cc2cc(Br)cc([C@@H](Br)c3coc(Br)c3)c2O1 720055015 WJXJAABFYJDYFB-UHLUBPPHSA-N 450.952 5.612 50 10 JKGE COc1cc(/C=C(/C#N)C(=O)Nc2ccc(C)c(C)c2)ccc1OCc1cccc2ccccc12 725398711 SILUZJHAIBNGJJ-XYGWBWBKSA-N 462.549 6.590 50 10 JKGE O=C(OCc1ccccc1)N1C[C@H](CBr)[C@H](c2cc(C(F)(F)F)ccc2F)C1 725432831 VAINANLUUWETNY-WMLDXEAASA-N 460.265 5.592 50 10 JKGE O=C(CC[C@@H](O)c1ccccc1)NN=Cc1ccc(OCc2ccc(Cl)cc2Cl)cc1 1083898620 KBHKMPHPJRLQSG-HSZRJFAPSA-N 457.357 5.536 50 10 JKGE O=C(NN=Cc1ccc(Oc2ccc(C(F)(F)F)cc2[N+](=O)[O-])cc1)c1ccccc1Cl 1084459591 AFINVHKMMXQDOO-UHFFFAOYSA-N 463.799 5.823 50 10 JKGE 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)C3=C[C@@H](Cl)[C@]2(O)C1 1085233530 JIXRSUPPSOBQSS-ZSMGMUDNSA-N 491.156 7.314 50 10 JKGE Cc1c(C(=O)Nc2ccccc2Cl)oc2c1C(=NNC(=O)c1ccc(Cl)cc1)CCC2 1772743555 FTLMNDRWLGGENH-UHFFFAOYSA-N 456.329 5.618 50 10 JKGE O=C(COc1ccc(-c2ccccc2)cc1Br)NN=Cc1ccc(Cl)cc1Cl 1772754296 SUSANVOLEFLZEY-UHFFFAOYSA-N 478.173 5.952 50 10 JKGE COc1ccc(-c2nn(CC(C)C)c3c2[C@@H](c2cccc4ccccc24)C(C#N)=C(N)O3)cc1 1865682584 RYGBTUIJJKAHNP-DEOSSOPVSA-N 450.542 5.586 50 10 JKGE COc1ccc(-n2nc(-c3ccccc3)c3c2OC(N)=C(C#N)[C@H]3c2cccc(Cl)c2)cc1 1865683898 PYISOBJTHXFKHA-JOCHJYFZSA-N 454.917 5.419 50 10 JKGE CCCCOc1ccc([C@@H]2C(C#N)=C(N)Oc3c2c(C(F)(F)F)nn3-c2ccccc2)cc1 1865690155 KAUAZBVHPBACEO-LJQANCHMSA-N 454.452 5.288 50 10 JKGE COc1ccc([C@@H]2C(C#N)=C(N)Oc3c2c(-c2ccccc2)nn3Cc2ccc(C)cc2)cc1OC 1865707194 QHZGWRJGPHEXMO-RUZDIDTESA-N 478.552 5.142 50 10 JKGE COc1ccc(-c2nn(-c3cccc(Cl)c3)c3c2[C@H](c2ccc(F)cc2)C(C#N)=C(N)O3)cc1 1865707862 HWNQDKCYHHBGQA-JOCHJYFZSA-N 472.907 5.559 50 10 JKGE CCOc1ccc(OCC)c(-c2csc(/C(C#N)=C(\O)[C@H](C)N3C(=O)c4ccccc4C3=O)n2)c1 1872754809 JZTWYQDMZQPIRK-DCBSDEPNSA-N 489.553 5.085 50 10 JKGE COc1c(C)cc(C)cc1-c1csc(/C(C#N)=C(\O)[C@@H]2CC(=O)N([C@H](C)c3ccccc3)C2)n1 1872755029 VLDFTJBMZYRZIN-CFRPCCHESA-N 473.598 5.838 50 10 JKGE Cc1ccc(-c2csc(/C(C#N)=C(\O)c3ccc4c(c3)C(=O)N(Cc3ccco3)C4=O)n2)cc1C 1872755281 GSYHRZSCCRZZNQ-GYHWCHFESA-N 481.533 5.766 50 10 JKGE COc1c(C)cc(Cl)cc1-c1csc(/C(C#N)=C(\O)CCCCCNC(=O)c2ccccc2)n1 1872757244 WKEMMBUEUMORLR-LNVKXUELSA-N 496.032 6.564 50 10 JKGE N#C/C(=C\c1cc2c(cc1[N+](=O)[O-])OCCO2)c1nc(-c2ccc(-c3ccccc3)cc2)cs1 1872782986 ZUCPDLXHGAKNMD-CIAFOILYSA-N 467.506 6.221 50 10 JKGE N#C/C(=C\c1ccc(OCc2ccccc2)cc1)c1nc(-c2ccc(Oc3ccccc3)cc2)cs1 1872793077 HEODBKWYGFKIIL-LGUFXXKBSA-N 486.596 8.246 50 10 JKGE COc1cc(/C=C(\C#N)c2nc(-c3ccc(Cl)s3)cs2)ccc1OC(=O)c1ccccc1 1872794570 JIYPQLFKTZUPQF-GZTJUZNOSA-N 478.982 6.817 50 10 JKGE O=C(N[C@H](CBr)[C@@H]1CC=CCC1)c1cc(Br)c(Br)s1 1885073706 UYGHITRWCCOZIX-PSASIEDQSA-N 472.040 5.123 50 10 JKGE Brc1cc([C@@H](Br)c2cc(Br)c(Br)s2)ns1 1909863204 HEXHKMNQBKMPFG-SSDOTTSWSA-N 496.869 5.976 50 10 JKGE Brc1ccc(Br)c([C@@H](Br)C2CC3(CCCCC3)C2)c1 1912552783 ZMTVXPHTGJQPOY-HNNXBMFYSA-N 451.040 7.008 50 10 JKGE CCc1cc(Br)c([C@H](Br)c2c(C)nsc2Br)s1 1912940831 AODXFAOZKNIULO-SECBINFHSA-N 460.054 6.085 50 10 JKGE Cc1cc(Br)c(C(=O)N(Cc2ccccc2)[C@H](C)CBr)cc1Cl 1914216287 SCFDQNBPCUTGQD-CYBMUJFWSA-N 459.609 5.837 50 10 JKGE BrC[C@@H](C1CC1)N(Cc1ccccc1)c1ncc(Br)cc1Br 1915169281 GLRUEWAJQQVSTF-INIZCTEOSA-N 489.049 5.787 50 10 JKGE Brc1cc(Br)c([C@@H](Br)C2CC3(CCCCC3)C2)s1 1922905923 DUHKWXRMVVUGAT-LBPRGKRZSA-N 457.069 7.070 50 10 JKGE CC[C@@H](c1ccccc1)[C@H](Br)c1sc(Br)cc1Br 1922945911 LSQJYQUVLPDINC-GWCFXTLKSA-N 453.037 6.903 50 10 JKGE Cl[C@@H](Cc1ncccc1Br)c1c(Br)cccc1Br 1924886030 XNFXRMYAKKCCPX-NSHDSACASA-N 454.387 5.892 50 10 JKGE CN(c1c(CBr)ccc(Br)c1Cl)C1CC(OCc2ccccc2)C1 1950463655 YNIMDPHQNGRKGS-UHFFFAOYSA-N 473.636 6.181 50 10 JKGE CCCC(CBr)(CCC)CN(Cc1ccccc1)C1CN(C(=O)OC(C)(C)C)C1 1959574586 GEDDQUOVVGZXSD-UHFFFAOYSA-N 467.492 6.089 50 10 JKGE C[C@@H](C[C@H](Br)c1c(Br)sc(Br)c1Cl)C1CC1 1983716933 SIGCHCVNJMAJJM-FSPLSTOPSA-N 451.449 6.799 50 10 JKGE Cl[C@H](c1ccc(Br)cc1Br)c1cscc1OCc1ccccc1 1994123256 WYXYKELHNWAYNX-GOSISDBHSA-N 472.629 7.180 50 10 JKGE Cc1sc(Br)cc1[C@@H](Br)c1nn(C)c(Cl)c1Br 2001990817 DPHOMZFYKMMESQ-SSDOTTSWSA-N 463.420 5.453 50 10 JKGE Cc1c(Cl)cc([C@H](Br)c2ccc(Br)s2)cc1Br 2002241707 FYNPGTJBSFYWBE-LBPRGKRZSA-N 459.428 6.719 50 10 JKGE CC(C)[C@@H](CBr)N(Cc1ccccc1)C(=O)c1c(Cl)cccc1Br 2003557512 GSOBTAFUXXRIHV-QGZVFWFLSA-N 473.636 6.164 50 10 JKGE Cc1c(Br)sc([C@@H](Br)CCCC(C)(F)F)c1Br 2023312435 VGCLZKZVTCBBQG-ZETCQYMHSA-N 455.000 6.843 50 10 JKGE COc1cc(C=C(C#N)c2nnc3n2CCCCC3)ccc1OC(=O)COc1ccc2ccccc2c1 2042453533 OKPDZXZITGQCJK-UHFFFAOYSA-N 494.551 5.215 50 10 JKGE CC(C)(C)OC(=O)NCCSSCCNC1CCC2(CCCN2C(=O)OC(C)(C)C)CC1 2061263765 GGYFFROXHLZAJE-UHFFFAOYSA-N 489.748 5.194 50 10 JKGE FC(F)(C1CCCCC1)[C@@H](Br)c1sc(Br)cc1Br 2065542189 VQXKPKLFADZONJ-NSHDSACASA-N 467.011 6.925 50 10 JKGE Cc1cc(F)c(Cl)cc1[C@@H](Br)c1cc(Br)sc1Br 2081938718 YHDFYJPMLAVCHB-LLVKDONJSA-N 477.418 6.858 50 10 JKGE FC(F)(F)c1csc([C@H](Br)c2cc(Cl)c(Cl)s2)c1Br 2099838962 LPTQKDXANFSBQY-SSDOTTSWSA-N 474.976 7.382 50 10 JKGE C[C@H](Cl)c1nc2cc(Cl)c(Br)cc2n1[C@@H](C)CN(C)Cc1ccccc1 2112691096 OCGCNXMGIUNCGA-KBPBESRZSA-N 455.227 6.445 50 10 JKGE Cc1nc([C@H](Br)c2cc(Br)cc3c2OCC3)c(Br)s1 2113186259 ZRLQPUKXJNMCQB-SNVBAGLBSA-N 468.008 5.396 50 10 JKGE Clc1ccccc1[C@H](Br)CCc1ccc(Br)cc1Br 2113490728 GURTYBOLDCDTID-CYBMUJFWSA-N 467.426 6.934 50 10 JKGE Cc1oc(CBr)cc1S(=O)(=O)N(Cc1ccccc1)[C@@H](C)c1cccs1 2123235030 UURWLMCFBOWDPG-AWEZNQCLSA-N 454.411 5.497 50 10 JKGE Cc1cc(Br)c([C@@H](Br)[C@H]2C[C@@H]3CC[C@H](C2)O3)cc1Br 2124960076 IJCJPZKNSUQSFI-ZVXAKGHKSA-N 453.012 5.914 50 10 JKGE Cc1cc(Br)c(C)c([C@H](Br)[C@@H]2C[C@]23CCOC3)c1Br 2136373268 ZKGDFVCBNZPLCW-VQISRLSMSA-N 453.012 5.691 50 10 JKGE COc1cc([C@@H](Br)c2ccc(Br)cc2Br)ccc1F 2138855458 XCKTYRBKGYHLOZ-CQSZACIVSA-N 452.943 5.844 50 10 JKGE BrCc1cc(Br)c(OC[C@H]2OCCC23CCC3)c(Br)c1 2145193752 QZNIDVRLTCZKHP-CYBMUJFWSA-N 469.011 5.445 50 10 JKGE O=C(NC1(CBr)CCCCCC1)c1cccc(Br)c1Br 2148755592 HOOZSSLLGBVWSV-UHFFFAOYSA-N 468.027 5.429 50 10 JKGE BrC[C@@H]1CN(Cc2c(Br)cccc2Br)CCC12CCC2 2151655853 MPMSELMNMXODBI-GFCCVEGCSA-N 466.055 5.599 50 10 JKGE O=S(=O)(c1cc(Br)cc(CCl)c1F)N(Cc1ccccc1)C1CCCCC1 2152222386 QIFRITQDKHOJNO-UHFFFAOYSA-N 474.823 5.851 50 10 JKGE CC1(C)CC(CBr)(CNC(=O)c2cccc(Br)c2Br)C1 2158303022 JOICEHWBBIGJBY-UHFFFAOYSA-N 468.027 5.143 50 10 JKGE COc1ccc(C)c([C@H](Br)c2cc(Br)c(C)cc2Br)c1 2165862414 XYCRSGGLGBDGFR-INIZCTEOSA-N 463.007 6.321 50 10 JKGE O=S(=O)(c1ccc(Cl)c(CBr)c1)N(Cc1ccccc1)CC1CCCCC1 2179788251 ZZYOOOGGAWRGPK-UHFFFAOYSA-N 470.860 6.006 50 10 JKGE C[C@@H](c1cccs1)N(Cc1ccccc1)S(=O)(=O)N1CCC[C@@H](CCBr)C1 2179953589 BZQJEJKYUWFYPH-HKUYNNGSSA-N 471.486 5.053 50 10 JKGE Brc1ccccc1[C@H](CI)O[C@@H]1COC2(CCCC2)C1 2189463168 SXXUFPTZLGIXLD-WFASDCNBSA-N 451.142 5.044 50 10 JKGE Cc1cc(Br)c([C@H](Cl)c2cc(Br)sn2)c(C)c1Br 2220142682 AQBTWLDGUYLAQA-GFCCVEGCSA-N 474.443 6.376 50 10 JKGE CC(C)C(C(C)C)[C@@H](Br)c1c(Br)cc(Cl)c(Cl)c1Cl 2224301750 DIPHQRLMFCIZGW-GFCCVEGCSA-N 451.457 7.774 50 10 JKGE CCOCc1cc(Br)c([C@H](Cl)c2ccccc2I)s1 2224796587 NGZUVNFNDDALFJ-CYBMUJFWSA-N 471.585 5.980 50 10 JKGE Cc1cc(Br)c(CN(C)c2cccc(Br)c2CBr)s1 2229403866 VIHZOXISZRTIBS-UHFFFAOYSA-N 468.052 6.113 50 10 JKGE O=C(Nc1ccc(Cl)cc1CBr)c1ccc(I)cc1 2230995891 RHRZOZKPBFKPLR-UHFFFAOYSA-N 450.501 5.092 50 10 JKGE COc1c(C(C)C)cc(Br)cc1[C@H](Br)c1ccoc1Br 2233158511 BFZHOKQSKCUWFZ-CYBMUJFWSA-N 466.995 6.421 50 10 JKGE FC1CC2(C1)CC([C@@H](Br)c1c(Br)sc(Br)c1Cl)C2 2259485878 ROFFYEVRQAROHT-VVVTVSBHSA-N 481.450 6.891 50 10 JKGE Cc1cc(Cl)c(Cl)cc1[C@@H](Cl)c1cc(I)ccc1Br 2264375375 RGPILWJCFWAVHJ-CQSZACIVSA-N 490.393 6.997 50 10 JKGE CO[C@@H]1CCC[C@H]([C@H](Br)Cc2cc(Br)cc(Br)c2)C1 2277951963 BVHWFSIJWRDHPC-NILFDRSVSA-N 455.028 5.723 50 10 JKGE CCOc1cccc(NC(=O)C(C#N)=Cc2ccc(OCc3ccc(Br)cc3)cc2)c1 2294193458 RHSNWXYITSZOJO-UHFFFAOYSA-N 477.358 5.972 50 10 JKGE COc1cc(C=CC(=O)Oc2ccc([N+](=O)[O-])cc2)ccc1OCc1c(F)cccc1Cl 2294610673 XGYWMEUSGCTPCX-UHFFFAOYSA-N 457.841 5.594 50 10 JKGE CCOc1cc(C=C(C#N)C(=O)Nc2cccc3ccccc23)c(Br)cc1OC(C)C 2295669992 VRTQMRNRESNESN-UHFFFAOYSA-N 479.374 6.334 50 10 JKGE N#CC(=Cc1ccc(-c2cccc(Cl)c2)o1)C(=O)Nc1ncc(Cc2ccc(Cl)cc2)s1 2296818939 CJZGDMYGFYRXPU-UHFFFAOYSA-N 480.376 6.846 50 10 JKGE N#CC(=Cc1ccc(-c2cc(C(F)(F)F)ccc2Cl)o1)C(=O)Nc1ccc([N+](=O)[O-])cc1 2296818954 FBXQPZCKDZMLML-UHFFFAOYSA-N 461.783 6.073 50 10 JKGE C[C@@H]1CCC[C@H]([C@H](Br)c2cc(Br)ccc2OCc2ccccc2)O1 2299497703 XRQHGOZBKCKYIH-JSNMRZPZSA-N 454.202 6.422 50 10 JKGE N#CC(=Cc1cc(Cl)ccc1OCc1ccccc1Cl)C(=O)Nc1ccc(Cl)cc1 2313631942 ZMKBLWSLRGXJOV-UHFFFAOYSA-N 457.744 6.771 50 10 JKGE O=C(COc1ccc(C2CCCCC2)cc1)NN=C1C(=O)N(CC=Cc2ccccc2)c2ccccc21 2313646633 JUELNAAISXZJNF-UHFFFAOYSA-N 493.607 5.694 50 10 JKGE Cc1cccc(NC(=O)C(C#N)=Cc2cc(Cl)ccc2OCc2ccc(Cl)cc2)c1C 2313667345 LDYAUPXPVJGPLK-UHFFFAOYSA-N 451.353 6.735 50 10 JKGE Brc1ccc(OCc2ccccc2)c([C@@H](Br)[C@@H]2[C@H]3CCCCC[C@H]32)c1 2314461540 QUBFPBITECVACY-JZZBYWGLSA-N 464.241 7.290 50 10 JKGE CCCC[C@@H](C)CC[C@@H](Br)c1ccc(OCc2ccccc2)cc1Br 2314503857 WQVDPHBPMWHHND-DYESRHJHSA-N 468.273 8.071 50 10 JKGE CCN(Cc1ccccc1)c1ccc(C=C(C#N)c2nc(-c3ccc(Cl)cc3)cs2)cc1 2323831760 BEIGOOHZJORRMN-UHFFFAOYSA-N 456.014 7.554 50 10 JKGE CC(C)N(C)C[C@@H](Br)CCc1ccc(I)c(Br)c1 2325207227 AMXJZKGEEVCFMV-LBPRGKRZSA-N 489.033 5.090 50 10 JKGE FC1(F)[C@H]2C[C@H]([C@H](Br)c3c(Br)sc(Br)c3Cl)CC[C@H]21 2329710132 OOBSHVINLKXOBW-NRFSWKIWSA-N 499.440 7.044 50 10 JKGE N#CC(=Cc1cc(Br)cc(Br)c1O)c1nc(-c2ccccc2Cl)cs1 2331430652 PLXKZURASZPENE-UHFFFAOYSA-N 496.611 6.758 50 10 JKGE FC(F)(F)c1ccc([C@@H](Cl)c2cc(Br)ccc2OCc2ccccc2)s1 2336045245 VDSQEJTXUMTGLQ-SFHVURJKSA-N 461.730 7.437 50 10 JKGE FC1(F)[C@H]2C[C@@H]([C@@H](Br)c3cc(Br)ccc3OCc3ccccc3)CC[C@H]21 2336055608 BBDONBQTPIAMCS-XBQLCILLSA-N 486.194 7.146 50 10 JKGE CCCC1([C@H](Br)c2c(Cl)cc(Br)c(F)c2Br)CCC1 2337086481 MSRAPGAKMIRDHO-CYBMUJFWSA-N 477.437 7.411 50 10 JKGE CC[C@H](CC(C)C)[C@@H](Br)c1c(Cl)cc(Br)c(F)c1Br 2337094902 UJSVUIAINIQSTO-PRHODGIISA-N 479.453 7.512 50 10 JKGE CC(C)CC1([C@H](Br)c2c(Cl)cc(Br)c(F)c2Br)CC1 2337097131 KNDTXVYKBCRGQI-CYBMUJFWSA-N 477.437 7.266 50 10 JKGE Clc1ccc([C@H](CBr)Cc2ccc(Cl)cc2I)cc1 2341027555 LQHQYLXMYVBRFY-LBPRGKRZSA-N 469.975 6.319 50 10 JKGE CC1(C)CCCN(Cc2ccc(Cl)cc2I)[C@@H]1CBr 2341053895 ZUUHYKZMUKQYDW-CQSZACIVSA-N 456.593 5.330 50 10 JKGE CN(Cc1cc(I)ccc1Cl)C1CCC(CBr)CC1 2352425648 JFKSDJHKCYQMGO-UHFFFAOYSA-N 456.593 5.330 50 10 JKGE Fc1c(Br)cc(Cl)c([C@H](Br)C23CCC(CC2)CC3)c1Br 2362225907 WZAFTJMSMKVTEB-MLRNSFOPSA-N 489.448 7.411 50 10 JKGE COCc1csc([C@H](Cl)c2c(Cl)cc(Br)c(F)c2Br)c1 2362230365 ZAQAMFKDFFDXKQ-LBPRGKRZSA-N 462.993 6.540 50 10 JKGE COc1c(Br)cc(C)c([C@H](Br)[C@]2(C)CCCCO2)c1Br 2365194690 UGPAPGRGKPHTSR-GJZGRUSLSA-N 471.027 5.924 50 10 JKGE COc1cc(Cl)c(CBr)c(Oc2cccc(C)c2I)c1 2365788489 QKJYJQDFHGGSGV-UHFFFAOYSA-N 467.528 5.949 50 10 JKGE O=C(c1cc(Br)sc1Br)N1CCC[C@@H](Cl)[C@@H]1C(F)(F)F 2370257976 MSZSDXJSKNQQRO-HTRCEHHLSA-N 455.521 5.047 50 10 JKGE CCCCOc1ccc(-c2nn(-c3ccccc3)cc2/C=C(\C#N)c2nc3ccccc3n2C)cc1F 33766595 VILVBXNYDHVSJZ-OQKWZONESA-N 491.570 6.808 50 10 JKGE N#C/C(=C\c1cc([N+](=O)[O-])ccc1OCC(=O)Nc1nccs1)c1nc(-c2ccccc2)cs1 35519500 ACCMLIJUJUNZDD-LICLKQGHSA-N 489.538 5.256 50 10 JKGE CCCCOc1ccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4ccc([N+](=O)[O-])cc4)ccc32)cc1 38650790 KZKHKDSXVMSCNV-VWLOTQADSA-N 485.496 5.211 50 10 JKGE N#CC1=C(N)Oc2cc(OC(=O)c3ccccc3Br)ccc2[C@@H]1c1ccc(Cl)cc1 38651296 VMHJIWKDYRPNIR-NRFANRHFSA-N 481.733 5.540 50 10 JKGE CCCOc1ccccc1[C@H]1C(C#N)=C(N)Oc2cc(OC(=O)c3ccc(C(C)(C)C)cc3)ccc21 38681258 YWAUOCDTVFICQZ-HHHXNRCGSA-N 482.580 6.210 50 10 JKGE CCCOc1ccc(C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@H]3c2ccccc2OCCC)cc1 38681568 GHDPLEVQJARNOI-MHZLTWQESA-N 484.552 5.702 50 10 JKGE COc1ccc(CC(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@H]3c2cccc(OCCC(C)C)c2)cc1 38684742 KUUDAAXCSYFCCY-LJAQVGFWSA-N 498.579 5.486 50 10 JKGE N#C/C(=C\c1ccc2noc(-c3ccc(Cl)cc3)c2c1)C(=O)Nc1ccc(Cl)cc1Cl 39884616 SCRGTEKYSQEGBM-OQLLNIDSSA-N 468.727 7.001 50 10 JKGE Cc1c(Cl)cccc1NC(=O)c1oc2c(c1C)/C(=N/NC(=O)c1ccc(F)cc1)CCC2 40811891 FLEUHPOLKPTMAQ-TURZUDJPSA-N 453.901 5.412 50 10 JKGE CC(C)(c1ccccc1)c1ccc(OCC(=O)N/N=C/c2ccc(Br)cc2)cc1 40866482 LDTKJPDTJFBABL-WGOQTCKBSA-N 451.364 5.304 50 10 JKGE COc1cc(/C=C(\C#N)c2ccc(Cl)cc2)ccc1OC(=O)/C=C/c1ccc(Cl)c(Cl)c1 40868234 FFXNJZKRKGXBCO-ZIKQSAOZSA-N 484.766 7.338 50 10 JKGE COc1cc(/C=N/NC(=O)COc2cc(C)cc(C)c2C)ccc1OCc1ccc(Cl)cc1 40888522 PTSFHQQUFOKSAB-CCVNUDIWSA-N 466.965 5.382 50 10 JKGE CCCCCOc1ccccc1C(=O)N/N=C/c1ccccc1OS(=O)(=O)c1ccc(C)cc1 59157998 SEAAMLFEBPIAHR-ZXVVBBHZSA-N 480.586 5.096 50 10 JKGE O=C(N/N=C(/CSc1nc2ccccc2s1)c1cccc(Br)c1)c1ccccc1O 59460795 SJTNOARJKMZFFI-BWAHOGKJSA-N 498.427 5.691 50 10 JKGE CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(Cl)cc2)cc(I)c1OCC 59483992 AZKXZRMSOJOAFD-NTEUORMPSA-N 496.732 5.288 50 10 JKGE CCCCCCCCCCOc1ccc(C(=O)N/N=C/c2c(OC)ccc3ccccc23)cc1 105425942 IOPNOXJLIZKSQI-JBASAIQMSA-N 460.618 7.132 50 10 JKGE CCCOc1cccc([C@@H](Br)c2cc(Br)ccc2Br)c1 109844840 OQGPBQCHBCYNAH-MRXNPFEDSA-N 463.007 6.485 50 10 JKGE COc1cc(C)c(Br)cc1[C@@H](Br)c1cccc(I)c1 115070068 GOIJDWYQQGKNTE-HNNXBMFYSA-N 495.980 5.855 50 10 JKGE Brc1ccc([C@H](Br)c2csc(I)c2)cc1 118884009 WTOSBDCEKPXITK-NSHDSACASA-N 457.956 5.600 50 10 JKGE COc1cc(Br)c([C@H](Cl)c2csc(I)c2)cc1OC 124393915 ACCGWODQJOVULK-CYBMUJFWSA-N 473.557 5.461 50 10 JKGE Cc1cc([C@H](Br)c2cc(F)c(Br)cc2F)sc1Br 126061340 YCZILLNKVFRRKS-LLVKDONJSA-N 460.963 6.344 50 10 JKGE Fc1c([C@H](Cl)c2cc(Br)c(Br)s2)cccc1C(F)(F)F 128282529 RYHDNJXUQHEPNC-VIFPVBQESA-N 452.492 6.759 50 10 JKGE CC(C)(C)C1CCC([C@@H](Br)c2cc(Br)c(Br)s2)CC1 128285086 IMEIJCNDGOQGOV-SRHKJQAYSA-N 473.112 7.562 50 10 JKGE COc1ccc(CC[C@@H](Br)c2cc(Br)c(C)cc2Br)cc1 128795000 GNROYSOQQXLLHU-OAHLLOKOSA-N 477.034 6.597 50 10 JKGE CCCCCCCCCCOc1ccc(C(=O)NN/C=C2\C=C(Br)C=CC2=O)cc1 135995293 GOOINNWPXXNEAB-CZIZESTLSA-N 475.427 5.742 50 10 JKGE Fc1cc2nc(CCl)n(-c3cccc(I)c3)c2cc1Br 158511644 XULQFCFGFGTDKJ-UHFFFAOYSA-N 465.491 5.271 50 10 JKGE COc1ccc([C@H](Br)c2c(F)cccc2Br)c(Br)c1 161206331 GSBXLZAIJSLYSS-AWEZNQCLSA-N 452.943 5.844 50 10 JKGE CC[C@H](NC(=O)/C(C#N)=C\N(c1ccccc1)c1ccc(N)cc1)c1ccc2c(c1)CCCC2 217190965 KXIKTKCPDOWRBF-VXHROTETSA-N 450.586 5.961 50 10 JKGE Cc1cc(I)ccc1NC(=O)/C(C#N)=C\N(Cc1ccccc1)c1ccccc1 217254131 CNLDOAGKYGCPRZ-JZJYNLBNSA-N 493.348 5.652 50 10 JKGE COc1cc(Cl)c([C@H](Br)c2cc(Cl)ccc2Br)cc1Cl 234898774 PWNFAFJCUNTHBG-CQSZACIVSA-N 459.392 6.902 50 10 JKGE ClCc1cc(Br)c(OCc2ccc(Br)cc2)c(Br)c1 236020491 NRTWFRYBRZBLQF-UHFFFAOYSA-N 469.398 6.292 50 10 JKGE CN1/C(=C/C=NNC(=O)c2ccc(CSc3nc4ccccc4[nH]3)cc2)C(C)(C)c2ccccc21 245285438 XJJMHVXNAMEFIH-WZBQYBKFSA-N 481.625 5.882 50 10 JKGE Cc1ccc(C=Nc2ccc(SSc3ccc(N=Cc4ccc(C)cc4)cc3)cc2)cc1 253635997 IAVXUWCIWAEICM-UHFFFAOYSA-N 452.648 8.604 50 10 JKGE Cc1occc1C(=O)NN=CC1=C(N2CCOCC2)/C(=C\c2ccc(Cl)cc2Cl)CC1 254398776 CPPSAVGMLCEKFA-ATEFYWKCSA-N 460.361 5.074 50 10 JKGE Cc1ccc(C=NNC(=O)CSc2nnc(SCc3cccc4ccccc34)s2)o1 254479214 OFQYXQIGLXASBV-UHFFFAOYSA-N 454.602 5.127 50 10 JKGE C/C(C=NNC(=O)CSc1nnc(SCc2cccc3ccccc23)s1)=C\c1ccco1 254522547 NZANXQRLMNRKSL-YYEODCEPSA-N 480.640 5.874 50 10 JKGE CCOc1cc(C=NNC(=O)CNc2cccc3ccccc23)ccc1OC(=O)c1cccs1 254822253 LZHKTRFVVLITKG-UHFFFAOYSA-N 473.554 5.081 50 10 JKGE Cc1sc([C@H](Br)c2ccccc2OCc2ccccc2)cc1Br 309945180 CWQCUIPFIUIUHB-LJQANCHMSA-N 452.211 6.882 50 10 JKGE Cc1oc(Br)cc1[C@H](Br)c1cc(Br)cc2c1OCC2 396490975 LBFUVYDRIKGNCA-ZDUSSCGKSA-N 450.952 5.532 50 10 JKGE Brc1cscc1[C@@H](Br)c1cc2c(cc1Br)OCCCO2 404738589 NPRXVNJQKYVNFV-AWEZNQCLSA-N 483.019 5.919 50 10 JKGE CC(C)COc1ccc(NC(=O)c2cccc(NC(=O)Nc3ccc(SC#N)cc3)c2)cc1 586732482 CBZHTIPKAUKMSY-UHFFFAOYSA-N 460.559 6.191 50 10 JKGE CCN(C[C@](C)(CI)OC[C@H]1C[C@H]1C(C)(C)C)C(=O)OC(C)(C)C 703460578 BYPRYQXYPDSMEW-CLCXKQKWSA-N 453.405 5.136 50 10 JKGE Cc1c(C)c(C)c([C@H](Br)c2scc(Br)c2Br)c(C)c1C 705467963 YGCBGZTWCMRPKN-HNNXBMFYSA-N 481.091 7.300 50 10 JKGE Fc1ccc([C@H](Cl)c2scc(Br)c2Br)c(F)c1Br 705479078 ZHYUEBPBKPNNIJ-VIFPVBQESA-N 481.381 6.642 50 10 JKGE C[C@H](Oc1ccc(Cl)cc1Cl)C(=O)NN=C1C(=O)N(C/C=C/c2ccccc2)c2ccccc21 1084114612 NISFBTQCGGONKD-JPGAOKHZSA-N 494.378 5.341 50 10 JKGE N#Cc1ccccc1Cn1cc(C=NNC(=O)c2cc3cc(Br)ccc3o2)c2ccccc21 1084346780 GBAFVOFXLWPXIS-UHFFFAOYSA-N 497.352 5.834 50 10 JKGE CCc1ccc(NC(=O)/C(C#N)=C\c2cn(Cc3ccc(Cl)c(Cl)c3)c3ccccc23)cc1 1084496527 OEZIOOWAAGMEKE-ZHZULCJRSA-N 474.391 7.104 50 10 JKGE CCOc1ccc(C(=O)NN=Cc2ccc(OCc3cccc(Cl)c3)c(OCC)c2)cc1 1084603580 TZCGBQPRUCASPF-UHFFFAOYSA-N 452.938 5.480 50 10 JKGE COc1ccc(-c2nn(Cc3ccc(Cl)cc3)c3c2[C@H](c2ccccc2F)C(C#N)=C(N)O3)cc1 1865682906 AGGZRTOQLOXAFD-HSZRJFAPSA-N 486.934 5.618 50 10 JKGE Cc1nn(-c2ccc(Cl)c(Cl)c2)c2c1[C@@H](c1cccc(Br)c1)C(C#N)=C(N)O2 1865684719 WMPQSVIHKKVZNG-SFHVURJKSA-N 476.161 5.468 50 10 JKGE CCCOc1ccc([C@@H]2C(C#N)=C(N)Oc3c2c(CC)nn3-c2cccc(Cl)c2)cc1OCC 1865691236 NNQDFTURWKUBAS-HSZRJFAPSA-N 478.980 5.494 50 10 JKGE CCCc1nn(-c2ccccc2Cl)c2c1[C@@H](c1cccc(OC)c1OCC)C(C#N)=C(N)O2 1865692540 GZXSLYDBGHBIFK-NRFANRHFSA-N 464.953 5.104 50 10 JKGE CCCCCOc1ccc([C@H]2C(C#N)=C(N)Oc3c2c(-c2ccc(OC)cc2)nn3CCC)cc1 1865692647 HHOQFTLOIGRTFN-DEOSSOPVSA-N 472.589 5.756 50 10 JKGE CCCCOc1ccc([C@H]2C(C#N)=C(N)Oc3c2c(CCC)nn3-c2ccc(Cl)cc2)cc1OC 1865697576 XCEMDAMVZWRNLT-DEOSSOPVSA-N 493.007 5.884 50 10 JKGE COc1ccc(-c2nn(Cc3ccc(F)cc3)c3c2[C@@H](c2c[nH]c4ccccc24)C(C#N)=C(N)O3)cc1 1865700354 QRRDFOSISCRWAO-RUZDIDTESA-N 491.526 5.446 50 10 JKGE CCc1nn(-c2ccc(C)cc2)c2c1[C@@H](c1ccc(OC(=O)c3ccccc3)cc1)C(C#N)=C(N)O2 1865704741 CUTQFFNEFVOEAS-VWLOTQADSA-N 476.536 5.181 50 10 JKGE COc1ccc([C@H]2C(C#N)=C(N)Oc3c2c(-c2ccccc2)nn3Cc2ccc(Cl)cc2)cc1OC 1865707004 LIUJTXWEQYRWQW-DEOSSOPVSA-N 498.970 5.487 50 10 JKGE N#CC1=C(N)Oc2c(c(C(F)(F)F)nn2-c2ccccn2)[C@@H]1c1cccc(OCc2ccccc2)c1 1865712061 OUWIIRGQHCKUHH-OAQYLSRUSA-N 489.457 5.083 50 10 JKGE COCCOc1ccc(/C=C(\C#N)C(=O)Nc2cc(C(F)(F)F)cc(C(F)(F)F)c2)cc1 1866213868 HSKLQDUUDISUMK-RIYZIHGNSA-N 458.358 5.295 50 10 JKGE Cc1ccc(-c2nc(Nc3ccc(SC#N)cc3)cc(N3CCC(c4ncncn4)CC3)n2)cc1 1868321262 XGFZQFGECQZDSC-UHFFFAOYSA-N 480.601 5.338 50 10 JKGE C[C@@H](c1ccccc1)N1C[C@@H](/C(O)=C(\C#N)c2nc(-c3ccc(Br)cc3)cs2)CC1=O 1872746357 DFCCVNWHMIOIAP-TURIDRHPSA-N 494.414 5.975 50 10 JKGE C[C@H](c1ccccc1)N1C[C@@H](/C(O)=C(\C#N)c2nc(-c3ccc([N+](=O)[O-])cc3)cs2)CC1=O 1872747009 KABALVAEBRXGTA-JNRAWFBVSA-N 460.515 5.121 50 10 JKGE N#C/C(=C(/O)CCCCCNC(=O)c1ccccc1)c1nc(-c2cccc3ccccc23)cs1 1872752249 TWSYZUYCDQDBOB-LCUIJRPUSA-N 467.594 6.746 50 10 JKGE CCCCCCCOc1ccc(-c2csc(/C(C#N)=C(\O)C34CC5CC(CC(C5)C3)C4)n2)cc1 1872753458 YCVFCAYZGRDMCJ-RFBIWTDZSA-N 476.686 8.168 50 10 JKGE Cc1cc(C)c(-c2csc(/C(C#N)=C(\O)CCCOc3ccc4ccccc4c3)n2)c(C)c1 1872757062 PDMLVQMGUURWMV-LCUIJRPUSA-N 454.595 7.540 50 10 JKGE CCOc1ccc(C/C(O)=C(\C#N)c2nc(-c3ccc(OC)c(OC)c3OC)cs2)cc1 1872759428 OGAICDRJTBLITR-ZZEZOPTASA-N 452.532 5.270 50 10 JKGE N#Cc1c(NC(=O)OCC2c3ccccc3-c3ccccc32)sc(C(=O)O)c1CBr 1887599791 KGAJTLNLSRBWPP-UHFFFAOYSA-N 483.343 5.574 50 10 JKGE N#CC(=C(Cl)c1ccc(I)c(Br)c1)c1cccs1 1911992009 BBLNMYSDSCQXSV-UHFFFAOYSA-N 450.526 5.746 50 10 JKGE C[C@H](Br)CN(Cc1ccccc1)C(=O)c1ccc(Br)cc1C(F)(F)F 1914632565 JPILCNRBVKKGCO-LBPRGKRZSA-N 479.134 5.894 50 10 JKGE CC[C@@H](Cl)CN(Cc1ccccc1)C(=O)c1cc(Br)sc1Br 1915089768 CRSSRJLJGZBEGG-GFCCVEGCSA-N 465.638 5.933 50 10 JKGE Cc1cccc(Br)c1C(=O)N(Cc1ccccc1)[C@H](CBr)C1CC1 1915276263 MWPWZCRRTHXWEH-GOSISDBHSA-N 451.202 5.573 50 10 JKGE CC(C)[C@H](CCl)N(Cc1ccccc1)C(=O)c1ccc(F)cc1I 1915289456 TZRNXUOHVMOXHF-SFHVURJKSA-N 459.730 5.336 50 10 JKGE CC1(C)CCCC[C@@H]1[C@H](Br)c1c(Br)sc(Br)c1Cl 1923037911 GPFVPCMZICIDKN-APPZFPTMSA-N 479.503 7.579 50 10 JKGE COc1ccccc1[C@@H](Br)c1c(Br)sc(Br)c1Cl 1923038950 LZDRVYUESPQUDG-SECBINFHSA-N 475.427 6.419 50 10 JKGE Clc1c(Br)sc(Br)c1[C@H](Cl)c1ccc2c(c1)OCCO2 1923048535 HMXYJTHLZMKAGT-SNVBAGLBSA-N 458.986 6.026 50 10 JKGE C[C@@H]1CO[C@H]([C@@H](Br)c2c(Br)sc(Br)c2Cl)C1 1923066538 QWNSGLBPMYEOGE-KZLJYQGOSA-N 453.421 5.788 50 10 JKGE Cl[C@H](Cc1ccncc1Br)c1cc(Br)c(Br)s1 1924038280 CJRVAHFWNWNQFF-SECBINFHSA-N 460.416 5.953 50 10 JKGE C[C@H](c1ccncc1Br)[C@@H](Br)c1cccc(F)c1I 1924052620 NNDSDCFBFMTXEB-AMIZOPFISA-N 498.959 5.828 50 10 JKGE CCC1(C)CC([C@H](Cl)c2c(Br)sc(Br)c2Br)C1 1924568930 NMOIFLWSGFJQHE-HTARLIKDSA-N 465.476 7.142 50 10 JKGE O=C(NC[C@@H]1CCC2(CCC2)[C@H]1Br)c1cc(Br)sc1Br 1924806017 TWPYLBHODYSYIH-KWQFWETISA-N 486.067 5.347 50 10 JKGE Fc1ccc([C@H](Br)c2c(Cl)sc(Cl)c2Cl)cc1Br 1925586860 DNUKFJZFBVDOTR-QMMMGPOBSA-N 453.385 7.094 50 10 JKGE CCc1sc(Br)cc1[C@H](Br)c1csc(I)c1 1937441181 ATUAVLVWYBSKPV-LLVKDONJSA-N 492.039 6.223 50 10 JKGE Brc1cccc(Br)c1[C@H]1CCC[C@H](CI)O1 1938361592 JIVIEZSVEQCDGE-LDYMZIIASA-N 459.947 5.257 50 10 JKGE CN[C@@H](c1c(Br)sc(Br)c1Cl)[C@H]1C[C@@H](Br)C1 1991421436 KEGXLLZZINAONJ-GLDDHUGJSA-N 452.437 5.361 50 10 JKGE CS(=O)(=O)C1([C@H](Cl)c2c(Br)sc(Br)c2Cl)CCC1 2047872984 NGPQPZVDSYRMIG-SSDOTTSWSA-N 457.036 5.174 50 10 JKGE CC1([C@@H](Br)c2cc(Br)c(Br)s2)CCCCCCC1 2052511903 AIGJAWNCGXZCQA-LBPRGKRZSA-N 459.085 7.460 50 10 JKGE COCc1ccccc1[C@@H](Br)c1cc(Br)sc1Br 2071277558 WTDQEKKCMOMNFD-GFCCVEGCSA-N 455.009 5.904 50 10 JKGE CCc1nn(C)c([C@H](Cl)c2sc(Br)cc2Br)c1Br 2072303929 DWEJJKDAZCUWFL-VIFPVBQESA-N 477.447 5.660 50 10 JKGE Cc1sc(Br)c([C@@H](Cl)c2c(Br)cccc2Br)c1C 2082872295 ZHYQRDCKGCNGRM-GFCCVEGCSA-N 473.455 6.981 50 10 JKGE BrCc1cc(Br)c(OC[C@H]2CC23CCCC3)c(Br)c1 2109404594 VMTHEHZBKDIHGF-LLVKDONJSA-N 453.012 6.066 50 10 JKGE Brc1cc(Br)c([C@H](Br)[C@@H]2C[C@H]3CCCCCC[C@@H]32)s1 2109834219 NVTPGBABSJCNHU-FBKDDSFISA-N 471.096 7.316 50 10 JKGE C[C@@H](CCCCCI)NC(=O)c1cc(Cl)ccc1Br 2117895184 PTXHYWPXCKAFQL-JTQLQIEISA-N 458.565 5.216 50 10 JKGE BrC[C@H](NCc1cc(Br)ccc1Br)C1CCCCC1 2118519725 NCBMEAITCNXPRR-HNNXBMFYSA-N 454.044 5.645 50 10 JKGE BrCC[C@@H]1CCCN(Cc2cc(Br)ccc2Br)CC1 2118523593 AFCBGCIROWMXOQ-LBPRGKRZSA-N 454.044 5.599 50 10 JKGE Cc1ccc([C@H](Br)c2cc(Br)c(Cl)cc2C)c(Br)c1 2137642248 IDYHCYMPHIBBNO-HNNXBMFYSA-N 467.426 6.966 50 10 JKGE Fc1cc(CBr)cc(F)c1OCc1c(Br)cccc1Br 2150490678 XWAZKQCCNUYGBL-UHFFFAOYSA-N 470.933 5.964 50 10 JKGE Cc1sc(Br)cc1[C@@H](Br)c1cc(Br)cc2c1O[C@@H](C)C2 2152047989 PCTOYPMJMLKWEI-JKYUHCHBSA-N 481.047 6.389 50 10 JKGE CC12CC([C@@H](Br)c3cc(Br)ccc3Br)(C1)C1(CCC1)O2 2157464153 KGXNHVPDNUDMEI-NFOMZHRRSA-N 465.023 6.139 50 10 JKGE C[C@@H]1C[C@@H](CCC(CBr)(CBr)c2ccccc2Br)CO1 2159284192 BASVPRDJGLDBGU-CHWSQXEVSA-N 469.055 5.682 50 10 JKGE C[C@@H](Cl)c1nc2cc(Br)c(Cl)cc2n1[C@@H]1CCCN(Cc2ccccc2)C1 2160079300 BFMWXNGFBXRQGS-GDBMZVCRSA-N 467.238 6.589 50 10 JKGE Fc1ccc(I)cc1[C@H](Br)c1cc(Cl)cc2c1OCC2 2169668270 ODNIUAYTVDPHFW-AWEZNQCLSA-N 467.503 5.503 50 10 JKGE C[C@H](N(Cc1ccccc1)S(=O)(=O)c1ccc(OCCBr)cc1)C(C)(C)C 2179860543 TXTAGROXCULCBH-KRWDZBQOSA-N 454.430 5.086 50 10 JKGE Cc1cc(Br)c(C)c([C@@H](Br)C[C@@H]2CC(C)(C)CO2)c1Br 2201066131 XDIVNMKBLKBIBS-YPMHNXCESA-N 469.055 6.470 50 10 JKGE Cc1cc(Br)c(C)c([C@@H](Br)Cc2ccccc2F)c1Br 2201072867 KSHFXJHGYBJYFT-ZDUSSCGKSA-N 464.998 6.646 50 10 JKGE COc1cc2c(cc1Br)nc(CCCl)n2CCCCOCc1ccccc1 2202310316 WLLFTFYEICCFPS-UHFFFAOYSA-N 451.792 5.586 50 10 JKGE O=C(c1csc(Br)c1Br)N1CC[C@@H]2CC[C@H](Br)C[C@@H]2C1 2204107861 VSPRSAXADFQUPB-AEJSXWLSSA-N 486.067 5.299 50 10 JKGE CC[C@H](Br)CN(Cc1ccccc1)S(=O)(=O)Cc1ccsc1Br 2210633122 SGRNHJCSBFHCHU-HNNXBMFYSA-N 481.275 5.016 50 10 JKGE Cc1cc([C@@H](Br)c2c(C)sc(Br)c2C)c(Br)s1 2213627566 CPVXEHAGEURYST-SNVBAGLBSA-N 459.066 6.744 50 10 JKGE COc1c(C(C)C)cc(Br)cc1[C@H](Br)C1CC(Br)C1 2224919036 WKGWUAMFVDIFAQ-RPFQZYLTSA-N 455.028 6.191 50 10 JKGE C[C@H](CN(C)Cc1ccccc1)n1c(CCCl)nc2cc(Br)c(Br)cc21 2225692693 AHXPQTFDSGUKOJ-CQSZACIVSA-N 499.678 6.036 50 10 JKGE Cc1sc([C@@H](Br)c2c(Br)cc(F)c(F)c2F)cc1Br 2226083717 FMTYHWUCZWLLOK-SNVBAGLBSA-N 478.953 6.483 50 10 JKGE Cc1cc(Br)c([C@H](Br)CC[C@@H]2CCOC2)c(C)c1Br 2227358258 ZMSXQZMTDDESEM-VXGBXAGGSA-N 455.028 6.081 50 10 JKGE CCCCCCCCCCCCO[C@@H]1CN(C(=O)OC(C)(C)C)C[C@H]1I 2231019844 PKDLXGFIDRTTAK-RTBURBONSA-N 481.459 6.347 50 10 JKGE CCO[C@@H]1CC[C@@H]([C@H](Br)c2c(Br)cc(Cl)c(Cl)c2Cl)C1 2232510540 HPMILWYJUIINFF-RWYTXXIDSA-N 465.440 7.051 50 10 JKGE CC1(C)C[C@H](C[C@H](Br)c2c(Br)cc(Cl)c(Cl)c2Cl)CO1 2232511861 LTJWKKHKILGITC-YUMQZZPRSA-N 465.440 7.051 50 10 JKGE FC1(F)[C@H]2CCC[C@@H]1C[C@@H]([C@H](Br)c1cc(Br)sc1Br)C2 2233638492 KSVQYWJUJYWMDM-UOKLYIGXSA-N 493.049 7.171 50 10 JKGE Fc1cc(Br)c(Br)cc1[C@H](Br)[C@@]12CCCC[C@H]1CCC2 2233973812 BPQOHFHELJUDOA-CIISACIHSA-N 469.030 7.147 50 10 JKGE Cc1c(Br)ccc([C@H](Cl)Cc2cc(Cl)cc(Cl)c2)c1Br 2240917840 VMFAJBNGDOHFBJ-CQSZACIVSA-N 457.420 7.349 50 10 JKGE Fc1cc(Br)c(F)c(Br)c1[C@H](Br)[C@@H]1CC[C@H](F)C1 2260084093 ZRKGPLUBOIOTHM-GOZTUDAPSA-N 450.918 6.064 50 10 JKGE Brc1coc([C@@H](Br)c2cc(Br)cc3c2OCCC3)c1 2270489581 JLQCEQCKDLGNMQ-ZDUSSCGKSA-N 450.952 5.614 50 10 JKGE Fc1ccc(I)cc1[C@@H](Br)c1ccc(C2CCC2)s1 2271979200 PFRSZYPFXQTFEI-OAHLLOKOSA-N 451.142 6.244 50 10 JKGE Fc1cc(Br)c(F)c(Br)c1[C@H](Br)[C@@H]1C[C@]12CCOC2 2272722346 SBHBJYBEGDPCPJ-ULTOFOOGSA-N 460.938 5.352 50 10 JKGE Brc1cc(Br)cc(C[C@@H](Br)[C@H]2[C@H]3CCCCC[C@H]32)c1 2277965895 ONIIEGCJBIUHHG-QKPAOTATSA-N 451.040 6.344 50 10 JKGE COc1cc(C)c(Br)c(C)c1[C@@H](Br)c1c(C)nsc1Br 2285066799 RWTFZRFMGQFBOK-CYBMUJFWSA-N 484.051 6.086 50 10 JKGE BrCC(CBr)(CCc1ccccc1)Cc1csc(Br)c1 2286719815 VZYWAIDUPQPSSQ-UHFFFAOYSA-N 481.091 6.462 50 10 JKGE C=CC[C@]1(CBr)CCN(C(=O)c2ccc(Br)cc2Br)C1 2287781466 FYNQKRKBIDJMSX-OAHLLOKOSA-N 466.011 5.015 50 10 JKGE O=C(NN=CC=Cc1ccccc1)c1cc2cc(Br)cc(I)c2o1 2294229108 VCNLPAXKRCBDAW-UHFFFAOYSA-N 495.114 5.229 50 10 JKGE COc1cc(C=C(C#N)C(=O)NC(C)C)c(Br)cc1OCc1cccc2ccccc12 2295176401 CEAVKVOYHKUITL-UHFFFAOYSA-N 479.374 5.621 50 10 JKGE FC(F)(F)CC1([C@@H](Br)Cc2cc(Br)cc(Br)c2)CCC1 2295330358 UYIIOKKDLNBBDU-LBPRGKRZSA-N 478.972 6.640 50 10 JKGE N#CC(=CNc1cccc(Br)c1)c1nc(-c2cc3cc([N+](=O)[O-])ccc3oc2=O)cs1 2295887859 OIWMRDIEEJDIOD-UHFFFAOYSA-N 495.314 5.564 50 10 JKGE Cc1ccc(CBr)cc1NC(=O)c1ccc(Br)cc1Br 2296126843 QSQRUEXIZLLQOL-UHFFFAOYSA-N 461.979 5.667 50 10 JKGE Cc1ccc(C)c(NC(SCc2cccc(Cl)c2)=C(C#N)S(=O)(=O)c2ccccc2)c1 2297350180 UCQUXDKIXHPLFZ-UHFFFAOYSA-N 469.031 6.469 50 10 JKGE N#CC(=Cc1sc(N2CCOCC2)nc1-c1ccccc1)C(=O)Nc1cccc2ccccc12 2297382041 RJMDFJAXXVSCFE-UHFFFAOYSA-N 466.566 5.346 50 10 JKGE C[C@@H]1OCC[C@@H]1C[C@H](Br)c1ccc(OCc2ccccc2)cc1Br 2299492911 JLEXWVIHJUGKSK-GMBSWORKSA-N 454.202 6.279 50 10 JKGE CC(F)(F)C1([C@@H](Br)c2cc(Br)ccc2OCc2ccccc2)CC1 2299527764 LMQAJPAGEOAKOW-KRWDZBQOSA-N 460.156 6.900 50 10 JKGE Cc1cc(Br)c(F)c(Br)c1[C@H](Br)[C@H]1C[C@H](Br)C1 2301502754 OOGXVIUJVHSNDS-BRDIYROLSA-N 493.834 6.269 50 10 JKGE Cc1scc([C@H](Br)c2c(Cl)sc(Br)c2Cl)c1Br 2303643069 AAFNVPDKLBHTPU-ZETCQYMHSA-N 499.902 7.434 50 10 JKGE CC(C)(C)c1ccc(C(=O)Nc2ccc(C(=O)NNC(=O)C=Cc3ccccc3Cl)cc2)cc1 2313620935 BZGYWHDCHNQOAJ-UHFFFAOYSA-N 475.976 5.364 50 10 JKGE Fc1cc(F)cc([C@H](Br)c2cc(Br)ccc2OCc2ccccc2)c1 2314448531 ISOODISDJCHJPQ-FQEVSTJZSA-N 468.135 6.791 50 10 JKGE Cc1ccccc1C[C@H](Br)c1cc(Br)ccc1OCc1ccccc1 2314501832 BSMOHMUABWCHJY-NRFANRHFSA-N 460.209 7.015 50 10 JKGE CCc1ccc(Oc2nc3c(C)cccn3c(=O)c2C=C(C#N)C(=O)Nc2cccc(Cl)c2)cc1 2314531414 AVNSSBURFMZQPF-UHFFFAOYSA-N 484.943 5.557 50 10 JKGE Cc1cccc(Oc2nc3ccccn3c(=O)c2C=C(C#N)C(=O)Nc2cccc(Cl)c2Cl)c1 2314534100 YIVOFWBXCKRDRI-UHFFFAOYSA-N 491.334 5.648 50 10 JKGE N#CC(=Cc1ccc(-c2ccc(Cl)cc2Cl)o1)C(=O)Nc1ccc(Cl)c(Cl)c1 2314571763 LOOSCNFCWJARLV-UHFFFAOYSA-N 452.124 7.106 50 10 JKGE COc1ccc(N2C(=O)[C@H](Cc3ccccc3C)SC2=C(C#N)C(=O)Nc2ccc(C)cc2)cc1 2314592207 NVAOWOMUBQCFDY-VWLOTQADSA-N 483.593 5.377 50 10 JKGE CC1(C)CC2(CC([C@@H](Br)c3sc(Cl)cc3I)C2)C1 2316605453 HWHZCSMZBQZMLG-LLVKDONJSA-N 459.618 6.659 50 10 JKGE CC(C)c1cccc([C@@H](Br)c2cc(Br)c(Br)s2)c1 2320573560 RPLODQPGNVRBSK-CYBMUJFWSA-N 453.037 6.881 50 10 JKGE CCOc1cc(C=NNC(=O)Cc2ccccc2)ccc1OCc1ccc(Cl)c(Cl)c1 2323327946 LXWSZBONBRSZQT-UHFFFAOYSA-N 457.357 5.664 50 10 JKGE CC[C@H](C)N1C(=O)c2ccc(C(O)=C(C#N)c3nc(-c4ccc([N+](=O)[O-])cc4)cs3)cc2C1=O 2331281078 FEBPTXPOJNWYIT-ZDUSSCGKSA-N 474.498 5.063 50 10 JKGE CCCOc1ccc(-c2csc(C(C#N)=C(O)COc3ccc(Cl)cc3Cl)n2)cc1 2331318310 WRFMNYDXGMBBFE-UHFFFAOYSA-N 461.370 6.777 50 10 JKGE CC[C@@H](C)N1C(=O)c2ccc(C(O)=C(C#N)c3nc(-c4c(C)c(C)cc(C)c4C)cs3)cc2C1=O 2331364602 OZAHISXEDZSRBI-MRXNPFEDSA-N 485.609 6.388 50 10 JKGE CCOc1cc(C=C(C#N)c2nc(-c3cccc(OC)c3)cs2)ccc1OCc1ccccc1 2331421360 JPGUTKZXNBHWOW-UHFFFAOYSA-N 468.578 6.861 50 10 JKGE CCOc1ccc(-c2csc(C(C#N)=Cc3ccc(OCc4ccc(C)cc4)c(OC)c3)n2)cc1 2331440446 UUNRMVBCHHMKHT-UHFFFAOYSA-N 482.605 7.169 50 10 JKGE COc1cc([C@@H](Cl)c2cc(Br)ccc2OCc2ccccc2)ccc1Br 2336041571 OZDYNRXCKTWJQB-OAQYLSRUSA-N 496.626 7.127 50 10 JKGE C[C@H]1CC[C@H]([C@H](Br)c2c(Cl)cc(Br)c(F)c2Br)CC1 2337084604 NDIOWAHBMWCAQW-UBJUHAIHSA-N 477.437 7.266 50 10 JKGE C[C@H]1C[C@H]2C[C@]([C@@H](Br)c3cc(Br)c(Br)cc3F)(C2)O1 2342638823 FOXBWUOMFWFDHW-WKYFLPQNSA-N 456.975 5.744 50 10 JKGE BrCC(CBr)(Cc1ccccc1)Cc1nc(Br)cs1 2342915866 QRGUQDDGHXWIJI-UHFFFAOYSA-N 468.052 5.467 50 10 JKGE Cc1cc(I)c(OCC2(CBr)CC(C)(C)C2)cc1Cl 2345006675 QAEKQGXXOYIETH-UHFFFAOYSA-N 457.577 5.833 50 10 JKGE Cc1cc(Br)c([C@@H](Br)[C@]23C[C@H](CO2)C3(C)C)c(C)c1Br 2359851263 DKXYSGKSGFBZIV-HQQWDMGQSA-N 467.039 6.080 50 10 JKGE C[C@]1(C(F)(F)F)C[C@@H]1[C@@H](Cl)c1c(Cl)cc(Br)c(F)c1Br 2362232200 KVWFOENMRNXQGD-UYIZORAZSA-N 458.902 6.873 50 10 JKGE FC(F)(F)[C@]12C[C@]([C@@H](Br)c3cc(Br)ccc3Br)(CO1)C2 2363843993 MQTNWAOGCVRUIT-SRVKXCTJSA-N 478.928 5.759 50 10 JKGE COc1c(Br)cc(C)c([C@@H](Br)[C@@H]2[C@@H]3CCCO[C@@H]32)c1Br 2365216079 QMUVXRCQDYKTTO-VVHPZPEWSA-N 469.011 5.390 50 10 JKGE CCCCCc1ccc([C@H](Br)c2ccc(Cl)cc2I)s1 2365597703 JLEQGAVBWXWFLS-MRXNPFEDSA-N 483.640 7.223 50 10 JKGE CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(Cl)cc2)ccc1OCc1ccc(C(=O)O)cc1 1194940 ACLMRDAIRGSXRF-DEDYPNTBSA-N 476.916 5.562 50 10 JKGE Cc1cc(C)cc(N/C(SCc2ccc(Cl)cc2)=C(/C#N)S(=O)(=O)c2ccccc2)c1 4767840 UNMGVKLOSUDENH-WCWDXBQESA-N 469.031 6.469 50 10 JKGE O=C(CSc1nc2ccccc2s1)N/N=C/c1cccc(OCc2c(F)cccc2Cl)c1 32520696 MBVDDURTXULVAI-RPPGKUMJSA-N 485.993 5.910 50 10 JKGE COc1cccc(-c2csc(/C(C#N)=C/c3ccc(OCc4ccccc4)c(OC)c3)n2)c1 33932603 CTSBMFVDBHLSMV-LPYMAVHISA-N 454.551 6.470 50 10 JKGE CCOC(=O)c1c(-c2ccccc2)csc1NC(=O)/C(C#N)=C/c1cn[nH]c1-c1ccccc1 35485141 XVCINTJTXSHPIG-CPNJWEJPSA-N 468.538 5.528 50 10 JKGE N#C/C(=C/c1ccc(-c2cccc(C(F)(F)F)c2)o1)c1nc(-c2ccc3ccccc3c2)cs1 35568812 XWTZDPXSQDEQKY-STZFKDTASA-N 472.491 8.306 50 10 JKGE CCOc1cc(/C=C2/C(=O)N(Cc3ccc(F)cc3)C(=O)C(C#N)=C2C)ccc1OCC(C)C 38608713 XSMNZMXTGCZNBA-WSDLNYQXSA-N 462.521 5.052 50 10 JKGE CCOC(=O)c1ccccc1NC(=O)c1oc2c(c1C)/C(=N/NC(=O)c1cccc(Cl)c1)CCC2 40813373 NHYBWQZYGLXGNZ-ZTKZIYFRSA-N 493.947 5.141 50 10 JKGE COc1cc(/C=N/NC(=O)COc2cc(Cl)ccc2Cl)ccc1OCc1ccccc1Cl 40846846 LEFXTJXXFJEXJS-KKMKTNMSSA-N 493.774 5.764 50 10 JKGE COc1cc(/C=C(\C#N)C(=O)Nc2cccc(Cl)c2)ccc1OCc1ccc(Cl)cc1Cl 59117118 RDMYYWFHBGHHMV-RQZCQDPDSA-N 487.770 6.780 50 10 JKGE COc1cc(/C=C(\C#N)C(=O)Nc2c(C)cccc2C)ccc1OCc1ccc(Cl)c(Cl)c1 59201346 KREYMKYOCYWPEJ-RGVLZGJSSA-N 481.379 6.744 50 10 JKGE N#C/C(=C/c1cc(Cl)ccc1OCc1ccc(F)cc1)C(=O)Nc1cccc(C(F)(F)F)c1 59272258 NPODLPGHRGAXOI-YVLHZVERSA-N 474.841 6.623 50 10 JKGE CCOc1cc(/C=C(/C#N)C(=O)Nc2ccc(C)cc2)cc(Cl)c1OCc1ccc(Cl)cc1 59335567 XKQCTFCHXLDAIX-NDENLUEZSA-N 481.379 6.825 50 10 JKGE CC/C(=N/NC(=O)CSc1nnc(SCc2ccc(Cl)cc2)s1)c1ccc(O)cc1 96401997 FVOGLVMHDBEQCJ-XLNRJJMWSA-N 479.052 5.212 50 10 JKGE CCOc1cc(/C=C(/C#N)C(=O)Nc2cccc(C(F)(F)F)c2)ccc1OC(=O)c1ccc(C)cc1 96504346 RHUBOPDAWGQYAP-MOSHPQCFSA-N 494.469 6.177 50 10 JKGE Cc1ccc(N2C(=O)[C@H](Cc3ccccc3Cl)S/C2=C(/C#N)C(=O)Nc2ccccc2)cc1C 101244821 DCTPUTGVHOJDJS-MZOFLMDJSA-N 488.012 6.022 50 10 JKGE BrCc1cc(Br)ccc1OCc1ccc(I)cc1 115098455 RRMBXYNERWQMRW-UHFFFAOYSA-N 481.953 5.528 50 10 JKGE Cc1cc(Br)c([C@@H](Cl)c2cccc(Br)c2)cc1Br 128696680 IMJUMIAVMPRQDN-AWEZNQCLSA-N 453.399 6.611 50 10 JKGE Cc1cc([C@H](Br)c2ccc3cc(Br)ccc3c2)sc1Br 159680849 IXVMVLOIESEEDN-OAHLLOKOSA-N 475.043 7.219 50 10 JKGE N#C/C(=C/c1cn(Cc2ccccc2F)c2ccccc12)C(=O)Nc1sc2c(c1C#N)CCCC2 209663855 XOUMAYSHMSRQKU-UYRXBGFRSA-N 480.568 6.186 50 10 JKGE CCCCCCCCOc1ccc(/C=C2\C(=O)N(CCCCC)C(=O)C(C#N)=C2C)cc1OC 214237713 OOXWHCCLLSRLNX-NKFKGCMQSA-N 466.622 6.217 50 10 JKGE N#C/C(=C/Nc1ccccc1Sc1ccccc1)C(=O)N1CCC(Cc2ccccc2)CC1 216876440 HDQLHMQMDKVJNZ-FLFQWRMESA-N 453.611 6.138 50 10 JKGE Clc1c(Br)cccc1[C@@H](Br)c1ccc(Br)c2ccccc12 228453660 YTKZPRQPUFULBO-INIZCTEOSA-N 489.432 7.503 50 10 JKGE CCOc1ccc([C@H](Br)c2cc(C)ccc2Br)cc1Br 228996159 UCODWVHOXWFBBA-INIZCTEOSA-N 463.007 6.403 50 10 JKGE Cl[C@H](c1cc(I)ccc1Br)c1sccc1Br 236039575 PANUWKYKJPWEFG-SNVBAGLBSA-N 492.401 6.206 50 10 JKGE CCCOc1ccc(C(=O)Oc2ccc(C=NNC(=O)COc3cc(C)ccc3C(C)C)cc2)cc1 254519342 HKFNAIXZGJIIBA-UHFFFAOYSA-N 488.584 5.656 50 10 JKGE CCCCOc1ccc(C(=O)NN=Cc2ccc(OC(=O)c3ccc(OCC)cc3)cc2)cc1 254532069 FTAJQVNBCNFUQJ-UHFFFAOYSA-N 460.530 5.247 50 10 JKGE Cc1cccc(C(=O)Oc2ccc(C=NNC(=O)COc3ccc(OCc4ccccc4)cc3)cc2)c1 254712302 DKKTVHUHVXGKPR-UHFFFAOYSA-N 494.547 5.322 50 10 JKGE O=C(COc1ccc2ccccc2c1)NN=Cc1c(OC(=O)c2ccccc2)ccc2ccccc12 254747198 VUDMKTMFCWIESD-UHFFFAOYSA-N 474.516 5.741 50 10 JKGE O=C(NN=Cc1ccccc1O)c1cc(-c2ccccc2OCc2cccc3ccccc23)n[nH]1 254815511 DQKIUKJFMFCCAL-UHFFFAOYSA-N 462.509 5.278 50 10 JKGE Cc1cccc([C@H](Br)c2ccc(F)c(Br)c2)c1I 300470539 BRZOCHPCZGQPFJ-CYBMUJFWSA-N 483.944 5.986 50 10 JKGE CCCC[C@@H](CC)CO[C@]1(CI)CCCN(C(=O)OC(C)(C)C)C1 303740675 BZCQMNXTKQYROO-APWZRJJASA-N 453.405 5.424 50 10 JKGE BrCc1ccc(I)c2cc(I)sc12 306836915 USGNIFDVERMQLL-UHFFFAOYSA-N 478.918 5.005 50 10 JKGE Cc1cc(C)cc(COc2c(Br)cc(Br)cc2CBr)c1 380400062 QGLJPXFRQCPIIC-UHFFFAOYSA-N 463.007 6.302 50 10 JKGE O=C(OCc1ccccc1)N1C[C@H](c2cc(Br)ccc2F)[C@@H](CBr)C1 382685894 FLSAERHRGPRAEP-YOEHRIQHSA-N 471.164 5.335 50 10 JKGE Cc1cccc([C@H]2CN(C(=O)OCc3ccccc3)C[C@H]2CBr)c1Br 382722874 OKUHFQXVUDVBDD-AEFFLSMTSA-N 467.201 5.505 50 10 JKGE O=C(NC[C@@H]1CCC[C@@H](CBr)C1)c1cc(Br)c(Br)s1 389412783 LPMNZJRDQFMIMO-RKDXNWHRSA-N 474.056 5.204 50 10 JKGE Cn1ncc([C@@H](Br)c2ccc(Cl)c3ccccc23)c1I 393596670 AXUFHXHYJUVHNX-AWEZNQCLSA-N 461.528 5.316 50 10 JKGE O=[N+]([O-])c1ccc(Br)c(Oc2cccc(Br)c2CBr)c1 394738806 HSYLURUCKJXDAD-UHFFFAOYSA-N 465.923 5.807 50 10 JKGE C[C@@H]1CN(Cc2ccccc2)CC[C@H]1n1c(CCCl)nc2cc(I)ccc21 397981029 XJDXUISMZLJWDF-OXQOHEQNSA-N 493.820 5.505 50 10 JKGE Clc1cc([C@H](Br)c2cc(Cl)c(Cl)c(Cl)c2Cl)c(Cl)s1 404821558 DQLBDLLRIFFGLX-SSDOTTSWSA-N 459.834 8.153 50 10 JKGE CC(C)(C)OC(=O)NCCN1CCC[C@@H](c2cccc(CCO[Si](C)(C)C(C)(C)C)c2)C1 616619212 CSMAGVMEUDKRAU-HSZRJFAPSA-N 462.751 5.955 50 10 JKGE Cn1ncc(Br)c1[C@@H](Br)c1ccc(Br)c2ccccc12 693083792 LIDDDXWJCDLBJH-AWEZNQCLSA-N 458.979 5.583 50 10 JKGE C[C@H]1Cc2cc(Br)cc([C@@H](Br)c3sccc3Br)c2O1 720032896 MSQJAUGQIHLOJQ-JVXZTZIISA-N 467.020 6.081 50 10 JKGE O=C(NN=Cc1ccc(-c2ccc(Cl)c(Cl)c2)o1)C(=O)Nc1ccc(Br)cc1 1084080073 GBRCAPHPBIPHKB-UHFFFAOYSA-N 481.133 5.105 50 10 JKGE CC(C)c1nc2c(Cl)cc(C(F)(F)F)cn2c1CNCC(=O)Nc1ccc(SC#N)cc1 1860720871 YBJMQURXTGLPLR-UHFFFAOYSA-N 481.931 5.431 50 10 JKGE Cc1ccc(Cn2nc(C(F)(F)F)c3c2OC(N)=C(C#N)[C@H]3c2ccc(C(C)(C)C)cc2)cc1 1865682385 NGQCTPANJLYFDC-HXUWFJFHSA-N 466.507 5.774 50 10 JKGE CCCc1nn(Cc2cc(C)ccc2C)c2c1[C@@H](c1c(OC)ccc3ccccc13)C(C#N)=C(N)O2 1865688060 HUZDEEMUVGPMSV-HHHXNRCGSA-N 478.596 5.881 50 10 JKGE CCCc1nn(CC)c2c1[C@H](c1ccc(OCc3ccc(Cl)cc3Cl)cc1)C(C#N)=C(N)O2 1865700996 JIYXGBVTZAGEAF-JOCHJYFZSA-N 483.399 5.959 50 10 JKGE CCCc1nn(-c2ccc(C)cc2)c2c1[C@@H](c1ccc(OC(=O)c3ccccc3)cc1)C(C#N)=C(N)O2 1865704941 IMSSYGPFOWHUND-SANMLTNESA-N 490.563 5.571 50 10 JKGE N#CC1=C(N)Oc2c(c(C(F)(F)F)nn2-c2cccc3ccccc23)[C@@H]1c1ccc(F)cc1 1865707609 AZBGVQXBELZBHB-LJQANCHMSA-N 450.395 5.402 50 10 JKGE COc1ccc([C@@H]2C(C#N)=C(N)Oc3c2c(-c2ccccc2)nn3Cc2cccc(Cl)c2)c(OC)c1 1865708635 ZSDCEGOJNWXMGN-XMMPIXPASA-N 498.970 5.487 50 10 JKGE COc1ccc([C@@H]2C(C#N)=C(N)Oc3c2c(-c2ccccc2)nn3-c2cccc(Cl)c2)cc1 1865712954 MUFSZMPEUFUENL-JOCHJYFZSA-N 454.917 5.419 50 10 JKGE C[C@H]1COC[C@H](C)N1c1cc(Nc2ccc(SC#N)cc2)nc(-c2ccc(Cl)cc2)n1 1868432979 CXULTIDESZRNSY-HOTGVXAUSA-N 451.983 5.727 50 10 JKGE Cc1c(OCc2ccc(CCl)cc2)ccc2c(=O)c(Oc3ccccc3)c(C(F)(F)F)oc12 1871436772 PDEMOKUPEPYVFD-UHFFFAOYSA-N 474.862 7.230 50 10 JKGE COc1cc2nc(/C(C#N)=C/c3ccc(OCc4ccc(C)cc4)cc3)nc(O)c2cc1OC 1872727530 IEPGBHLQOTXBTM-UDWIEESQSA-N 453.498 5.304 50 10 JKGE N#C/C(=C(/O)Cc1ccc(OCc2ccccc2)cc1)c1nc(-c2ccc(Cl)c(Cl)c2)cs1 1872748553 CADGXJMFIVFDIN-DAFNUICNSA-N 493.415 7.731 50 10 JKGE Cc1ccc(-c2csc(/C(C#N)=C(\O)[C@@H](C(C)C)N3C(=O)c4ccccc4C3=O)n2)c(C)c1 1872748583 DDCCEESNUXKCMF-LAGVDGIJSA-N 457.555 5.540 50 10 JKGE CC(C)[C@@H](/C(O)=C(\C#N)c1nc(-c2ccc(F)c(F)c2)cs1)N1C(=O)c2ccccc2C1=O 1872751516 LOGKNTNDQNSDNT-CVVHJZTLSA-N 465.481 5.202 50 10 JKGE COc1ccc(-c2csc(/C(C#N)=C(\O)[C@@H]3CC(=O)N([C@@H](C)c4ccccc4)C3)n2)cc1F 1872752454 CYXZNJWUXONCKG-GPTVKUKTSA-N 463.534 5.360 50 10 JKGE Cc1c([N+](=O)[O-])cc(/C(O)=C(\C#N)c2nc(-c3ccc(-c4ccccc4)cc3)cs2)cc1[N+](=O)[O-] 1873940648 BFFHPRDHFUEBOU-GFMRDNFCSA-N 484.493 6.552 50 10 JKGE CC(C)(C)OC(=O)N[C@H](CBr)[C@H]1CCN(C(=O)OC(C)(C)C)C2(CCCC2)C1 1891721230 OHWJNXSTRXMBPL-JKSUJKDBSA-N 461.441 5.235 50 10 JKGE Clc1c(Br)sc(Br)c1[C@H](Cl)c1cnsc1Br 1900418174 HNPQYMDEJYJWPA-SCSAIBSYSA-N 486.863 6.474 50 10 JKGE Cc1cc(Br)c(F)c(Br)c1[C@H](Br)[C@@H]1C[C@@H]1Br 1901323331 JHTIGVPCXMSGFC-QIOHGKGESA-N 479.807 5.879 50 10 JKGE C[C@@H](Cl)c1nc2c(Br)cc(F)cc2n1[C@@H]1CCCN(Cc2ccccc2)C1 1912664000 KRFGZUJPSBNHPH-RHSMWYFYSA-N 450.783 6.075 50 10 JKGE C[C@H](Cl)c1nc2c(Br)cc(F)cc2n1[C@@H]1CCN(Cc2ccccc2)[C@@H]1C 1912665342 VZCBRDPUVFNLAD-PMUMKWKESA-N 450.783 6.073 50 10 JKGE C[C@H](c1cccs1)N(Cc1ccccc1)c1ccc(CBr)cc1C(F)(F)F 1914842882 RDLCLEHUDWTBBM-OAHLLOKOSA-N 454.355 7.430 50 10 JKGE CC(C)C[C@H](C)[C@@H](Br)c1c(Br)sc(Br)c1Cl 1923063080 VZLOATQKPABELA-POYBYMJQSA-N 453.465 7.045 50 10 JKGE CCc1cscc1[C@@H](Br)c1c(Br)sc(Br)c1Cl 1923074707 QJVYJPOPSLYZKJ-MRVPVSSYSA-N 479.484 7.035 50 10 JKGE C[C@@H]1CCO[C@H]1[C@@H](Cl)c1c(Br)sc(Br)c1Br 1924579349 DGLDKPRDXXTGDQ-BTZDVCGTSA-N 453.421 5.741 50 10 JKGE C[C@H](Br)c1cnnn1-c1cc(Br)c(Br)c(Br)c1 1946434817 OIMQUAUOBOLXTM-YFKPBYRVSA-N 488.803 5.011 50 10 JKGE Clc1ccc(C[C@@H](Br)c2csc(Br)c2Br)cc1Cl 2032953951 TUXIGIWXEDTFNP-MRVPVSSYSA-N 493.873 7.259 50 10 JKGE BrC[C@H](Cc1cccc(Br)c1)Cc1cnsc1Br 2055665093 DXHJSCQJKNGYOY-SNVBAGLBSA-N 454.025 5.464 50 10 JKGE Cc1cc(Cl)c(Br)cc1[C@H](Cl)c1cccc(I)c1 2082382793 RIQRARXGAOYQDA-CQSZACIVSA-N 455.948 6.344 50 10 JKGE N#CC(=C(Cl)c1ccc(Br)cc1I)c1cccs1 2086154317 SJMDNIUKJPZBMW-UHFFFAOYSA-N 450.526 5.746 50 10 JKGE CC1(C)CC[C@H](CBr)N(Cc2ccc(Br)cc2Br)C1 2092262128 WWZLOCKMBQOABB-CYBMUJFWSA-N 454.044 5.597 50 10 JKGE C[C@H]1CCC[C@@H]1CC(CBr)(CBr)c1ccc(Br)cc1 2093452922 HKEJIYUXADXDIS-QWHCGFSZSA-N 453.056 6.303 50 10 JKGE Cc1c(Cl)cc([C@H](Br)c2c(Cl)sc(Cl)c2Cl)cc1Br 2111087184 RAHIZSKSKVWHCP-VIFPVBQESA-N 483.867 7.917 50 10 JKGE CC1(C)CCN(Cc2cc(Br)ccc2Br)C[C@H]1CBr 2118524642 LKRIQPQQXLYIBL-GFCCVEGCSA-N 454.044 5.455 50 10 JKGE BrC[C@H]1CC2(CCC2)CN1Cc1cc(Br)ccc1Br 2118530406 FPAOEWGSGZTSSL-CYBMUJFWSA-N 452.028 5.351 50 10 JKGE Brc1ccc(Br)c([C@H](Br)c2ccc3sncc3c2)c1 2120648189 HBGGTKIXJMKYSU-CQSZACIVSA-N 462.004 6.306 50 10 JKGE COc1cccc([C@H](Br)c2ccc(Br)cc2Br)c1F 2138851223 JNVPUBXEQJDBCP-CYBMUJFWSA-N 452.943 5.844 50 10 JKGE Cc1c(Br)ccc([C@H](Br)[C@@H]2CC[C@H]3[C@H]2C3(F)F)c1Br 2138869622 BMAWVRWMJQWGQR-JPOXSQHISA-N 458.966 6.247 50 10 JKGE Brc1ccc([C@@H](Br)[C@H]2CCCCC23CCC3)c(Br)c1 2138873870 ZXUTUIMKSCUMBY-UKRRQHHQSA-N 451.040 7.008 50 10 JKGE Cc1cc2sc([C@@H](Br)c3cc(Br)c(Cl)cc3F)cc2s1 2156534010 UWIUOFNSGCQWFH-AWEZNQCLSA-N 454.611 7.311 50 10 JKGE O=C(NC[C@@H]1CC12CCC(Br)CC2)c1scc(Br)c1Br 2157504927 RVJFNTOQSRNQBH-JUXJKVCFSA-N 486.067 5.347 50 10 JKGE Clc1cccc(Br)c1[C@@H](Cl)c1cc(I)cc2c1OCC2 2169462054 JIODMYNGVKARRC-AWEZNQCLSA-N 483.958 5.970 50 10 JKGE CCc1nc([C@@H](Br)c2cc(C)c(Br)cc2OC)c(Br)s1 2169491746 XAOCTDFTFIJDQI-LBPRGKRZSA-N 484.051 6.032 50 10 JKGE CC1(C)CCC[C@]12[C@H](Br)C[C@H]2Oc1c(Br)cccc1Br 2173667685 XXPHZVCSYWIKQU-XJKCOSOUSA-N 467.039 6.323 50 10 JKGE Brc1ccc(Br)c(C[C@H]2CCCCCCCC[C@H]2Br)c1 2175145452 UPFBJIWIBGFFJE-CZUORRHYSA-N 467.083 7.268 50 10 JKGE CN(CC[C@@H](Cl)c1ccccc1)c1ncc(I)cc1Br 2189900351 JTYSTHQYBDJHPG-CQSZACIVSA-N 465.560 5.255 50 10 JKGE CC(C)(C)C1(COc2c(Br)cc(CBr)cc2Br)CCC1 2191961005 DQBVITSURABQRX-UHFFFAOYSA-N 469.055 6.702 50 10 JKGE O=C(c1c(Br)cccc1Br)N1[C@H](CBr)CCC12CCC2 2205767305 GIWWYROQOSILEN-JTQLQIEISA-N 466.011 5.134 50 10 JKGE Cc1sc([C@@H](Br)c2cc(Br)sc2Br)c(C)c1C 2215540287 XZAFASLRYGUONH-JTQLQIEISA-N 459.066 6.744 50 10 JKGE Cc1sc(Br)c(C)c1[C@H](Br)c1cccc(Br)c1Cl 2218799046 CIFXLSHBBNTCES-LLVKDONJSA-N 473.455 7.028 50 10 JKGE COc1ccc([C@H](Br)c2c(Br)cc(Cl)c(Cl)c2Cl)cc1 2232511536 KLUQNVTTZCJZHB-LBPRGKRZSA-N 459.392 6.902 50 10 JKGE COCC1([C@@H](Br)c2c(Br)cc(Cl)c(Cl)c2Cl)CCCC1 2232527791 FKFGJDDLSSLGOQ-ZDUSSCGKSA-N 465.440 7.052 50 10 JKGE C[C@@H]1C[C@H](n2c(CCl)nc3c(F)cc(Br)cc32)CN(Cc2ccccc2)C1 2232931164 YQJDWOSRPSPYOK-PBHICJAKSA-N 450.783 5.760 50 10 JKGE Fc1cc(Br)c(Br)cc1[C@@H](Br)C1C2(CCC2)C12CCC2 2233976967 RMMYMWGHJQJDKO-CYBMUJFWSA-N 467.014 6.757 50 10 JKGE Cc1cc(Br)c([C@@H](Br)C2(F)CC3(CCC3)C2)c(C)c1Br 2235610711 SHTJVIOJRPUVAR-CQSZACIVSA-N 469.030 6.937 50 10 JKGE Cc1ccc(I)c([C@@H](Cl)c2c(Br)cc(F)c(F)c2F)c1 2240999386 ARWPMTWMFMEFCI-GFCCVEGCSA-N 475.473 6.108 50 10 JKGE C[C@@H](CCCCCI)NC(=O)c1cccc(Cl)c1Br 2267938413 AEPVUKMDYGEZQP-JTQLQIEISA-N 458.565 5.216 50 10 JKGE COc1cccc([C@@H](Cl)c2c(Br)sc(Br)c2Cl)c1Cl 2268264420 SEQNTACEJSWGKR-SECBINFHSA-N 465.421 6.917 50 10 JKGE CC(C)(C)C1CCC(CI)(OC2CCN(Cc3ccccc3)CC2)CC1 2272062680 CKDRHLOLPZLLLX-UHFFFAOYSA-N 469.451 6.078 50 10 JKGE Cc1nc([C@@H](Cl)c2c(F)cc(Br)c(F)c2Br)c(Br)s1 2272730812 CQJAQRRNWVFZTJ-QMMMGPOBSA-N 496.396 6.345 50 10 JKGE Fc1cc(Br)c(F)c(Br)c1[C@@H](Br)C1CC(C2CC2)C1 2272731422 ZDUSRFIYZMTORS-TYAJBCFHSA-N 458.966 6.362 50 10 JKGE C[C@@H]1CC([C@@H](Br)Cc2cc(Br)cc(Br)c2)C[C@@H](C)O1 2277962937 NYMTWPPIQPUKIP-FCHSOHFDSA-N 455.028 5.721 50 10 JKGE Fc1cc(Br)cc([C@H](Cl)Cc2cc(Br)cc(Br)c2)c1 2277963444 UUEGLXFBRNTPPB-CQSZACIVSA-N 471.389 6.636 50 10 JKGE Clc1c(Br)csc1[C@H](Cl)c1cc(Br)cc2c1OCCC2 2279287528 KZSCUNCPWXHESB-LLVKDONJSA-N 457.014 6.580 50 10 JKGE Cc1cc(Br)c([C@H](Cl)c2c(F)cccc2I)c(C)c1Cl 2282897305 RKHMQKCYPKGEQE-HNNXBMFYSA-N 487.965 6.791 50 10 JKGE COc1cc(C)c(Br)c(C)c1[C@H](Cl)c1ccccc1I 2285074990 OSYMQUDXXIJRHD-MRXNPFEDSA-N 465.556 6.007 50 10 JKGE COc1c(Br)cc(Cl)cc1[C@H](Cl)c1cc(I)ccc1F 2295264760 JPHZNESFTCYTRA-CYBMUJFWSA-N 489.937 6.183 50 10 JKGE N#CC(=Cc1ccc(COc2ccc(C#N)cc2)o1)C(=O)Nc1nc(-c2ccccc2)cs1 2295672398 URKJXSFFHNTIBS-UHFFFAOYSA-N 452.495 5.399 50 10 JKGE COc1cc(NC=C(C#N)c2nc(-c3cc4ccccc4oc3=O)cs2)c(OC)cc1Cl 2296759651 VZOVCDNIZCPYCS-UHFFFAOYSA-N 465.918 5.564 50 10 JKGE CCc1cccc(C)c1NC(SCc1cccc(Cl)c1)=C(C#N)S(=O)(=O)c1ccccc1 2297350140 YVZDKAFHYIQBKP-UHFFFAOYSA-N 483.058 6.723 50 10 JKGE Brc1ccc(OCc2ccccc2)c([C@H](Br)[C@@]23CCC[C@@H]2CC3)c1 2299492646 IQSBMGVCDHYTLN-TYCQWZJGSA-N 450.214 7.044 50 10 JKGE C[C@]1(C(F)(F)F)C[C@@H]1[C@H](Br)c1sc(Cl)cc1I 2300957853 UIGWSTBCARQHLP-JWCJDBHTSA-N 459.496 6.031 50 10 JKGE COc1cc(C=C(C#N)C(=O)Nc2ccc(Cl)c(Cl)c2)ccc1OCc1ccc(C)cc1 2313631392 PMBFCKIICVZJRV-UHFFFAOYSA-N 467.352 6.435 50 10 JKGE COc1cc(C=C(C#N)C(=O)Nc2ccccc2C)ccc1OCc1ccc(Cl)c(Cl)c1 2313667511 OEVZBFZGZLTQQP-UHFFFAOYSA-N 467.352 6.435 50 10 JKGE FC1(F)[C@@H]2COC[C@@]21[C@H](Br)c1cc(Br)ccc1OCc1ccccc1 2314458427 FDYFPVAFZRVDPG-KURKYZTESA-N 474.139 5.746 50 10 JKGE CCCCCOc1ccc(C=CC(=O)Oc2cccc(C=C(C#N)C(=O)OCC)c2)cc1OC 2314754096 KOHRAEJDPDWSBD-UHFFFAOYSA-N 463.530 5.353 50 10 JKGE COc1cc(F)c(Br)cc1[C@H](Br)c1cnsc1Br 2315625000 HXVORLQJVSCKOW-JTQLQIEISA-N 459.960 5.300 50 10 JKGE C[C@H]1CCc2[nH]c3ccc(C(=O)NN=Cc4ccc(OC(=O)c5cccs5)cc4)cc3c2C1 2323168559 ISJGVFFKAOPLIV-INIZCTEOSA-N 457.555 5.337 50 10 JKGE COc1ccc(C=CC(O)=C(C#N)c2nc(-c3cc(OC)ccc3OC)cs2)c(OC)c1 2331325069 GEEVWFQZBYLMIC-UHFFFAOYSA-N 450.516 5.351 50 10 JKGE COc1ccc(C(C)(C)C)cc1-c1csc(C(C#N)=C(O)c2ccc(-n3cccc3)cc2)n1 2331351201 YXRFOWGEZXUCRF-UHFFFAOYSA-N 455.583 6.857 50 10 JKGE COc1ccc(OCCCC(O)=C(C#N)c2nc(-c3ccc(Oc4ccccc4)cc3)cs2)cc1 2331359051 VWJHWXDMLYMCIY-UHFFFAOYSA-N 484.577 7.263 50 10 JKGE CCOc1ccc(OCC)c(-c2csc(C(C#N)=C(O)c3ccc(Cl)c(Cl)c3)n2)c1 2331375972 BQTQQHFUXXFZLI-UHFFFAOYSA-N 461.370 6.864 50 10 JKGE Cc1ccc(C(C)(C)C)cc1-c1csc(C(C#N)=C(O)C=Cc2ccc3c(c2)OCCO3)n1 2331396315 KVXLAUJYEGHHSB-UHFFFAOYSA-N 458.583 6.693 50 10 JKGE COc1ccc(C(O)=C(C#N)c2nc(-c3cc(Cl)c(OC)c(Cl)c3)cs2)cc1OC 2331396579 RFZIFHXCGSHDPV-UHFFFAOYSA-N 463.342 6.093 50 10 JKGE N#CC(=C(O)c1ccccc1Br)c1nc(-c2cc(Cl)ccc2Cl)cs1 2331404074 XGZJMRHCCFCQHS-UHFFFAOYSA-N 452.160 6.829 50 10 JKGE CCCOc1c(Br)cc(C=C(C#N)c2nc(-c3ccc(CC)cc3)cs2)cc1OC 2331417720 LMPBKIYRQNNTSZ-UHFFFAOYSA-N 483.431 6.997 50 10 JKGE CCCCCOc1ccc(C=C(C#N)c2nc(-c3ccc(F)cc3F)cs2)cc1OCC 2331436082 GDYYAABEMYJVQP-UHFFFAOYSA-N 454.542 7.120 50 10 JKGE CCOc1cc(C=C(C#N)c2nc(-c3c(C)c(C)cc(C)c3C)cs2)cc(Br)c1O 2331468531 VHFUMEAMIXIWSI-UHFFFAOYSA-N 483.431 6.975 50 10 JKGE Cc1c(Br)ccc([C@H](Br)[C@H]2CC[C@@H]3C[C@H]2CO3)c1Br 2334122372 GYBIHXCRVVGWAC-BQVMBELUSA-N 453.012 5.771 50 10 JKGE Fc1cccc(C[C@H](Br)c2cc(Br)ccc2OCc2ccccc2)c1F 2336076452 ZCICYSRNKDDIGC-SFHVURJKSA-N 482.162 6.985 50 10 JKGE Fc1c(Br)cc(Cl)c([C@H](Br)[C@@H]2C[C@@H]3C[C@@H]3CO2)c1Br 2337086888 QZVNGQDVTZUNJI-LFLRCTCGSA-N 477.393 5.865 50 10 JKGE CN(Cc1ccc(Cl)c(I)c1)C1(CBr)CC(C)(C)C1 2337227910 QIPBOIHMDCWBBG-UHFFFAOYSA-N 456.593 5.330 50 10 JKGE C[C@@H]1CCC[C@](CBr)(OCc2ccc(Cl)cc2I)C1 2340110173 MSNRKHJRYGMPMM-ABAIWWIYSA-N 457.577 5.805 50 10 JKGE Clc1ccc(CN2[C@H](CBr)C[C@H]3CCC[C@@H]32)c(I)c1 2341011363 SCXKTBOTTSIRQQ-DGFSRKRXSA-N 454.577 5.083 50 10 JKGE Cc1cc(CCl)cc(OCc2cc(I)ccc2Br)c1 2341777942 FKEQIYAPSZAPEQ-UHFFFAOYSA-N 451.529 5.680 50 10 JKGE CO[C@]1(C(F)F)C[C@H]([C@H](Cl)c2c(Br)sc(Br)c2Cl)C1 2343011632 FSOWUYLFFWYKLD-ZTBPNRJZSA-N 458.977 6.267 50 10 JKGE CC1(C)CCC[C@]12[C@@H](Cl)C[C@@H]2Oc1cc(Br)cc(I)c1 2364267042 FTVWYXCHBANVCB-OFQRWUPVSA-N 469.588 6.009 50 10 JKGE COc1c(Br)cc(C)c([C@H](Br)[C@@H]2[C@H]3[C@H]4C[C@@H]2C[C@H]43)c1Br 2365217055 AGXJZPFQGUHFTL-SDDUWJAHSA-N 465.023 5.867 50 10 JKGE COc1cc(Cl)c(CBr)c(N2CCN(Cc3ccccc3)CC(C)(C)C2)c1 2365802292 AXLVLUODKQCJCM-UHFFFAOYSA-N 451.836 5.592 50 10 JKGE CCCCO[C@@H]1[C@@H](Br)C[C@H]1OCc1c(Br)cccc1Br 2366144430 FJMAAOAQUIFJBP-RRFJBIMHSA-N 471.027 5.449 50 10 JKGE CC(C)n1ncc(Br)c1COc1cc(Br)ccc1CBr 2368040092 QEYBBELCYAVKNY-UHFFFAOYSA-N 466.999 5.463 50 10 JKGE C/C(=N\NC(=O)CCC(=O)Nc1ccc(Cl)cc1Cl)c1ccc(-c2ccccc2)cc1 12581230 FPCFEXHDBXUWOV-LQKURTRISA-N 454.357 5.920 50 10 JKGE C/C(=N\NC(=O)C1CCC(C(C)(C)C)CC1)c1cccc(NC(=O)c2ccc(Br)o2)c1 20158001 ZHCXSYZEYWIGBH-JFLMPSFJSA-N 488.426 5.987 50 10 JKGE COc1cc(/C=C(/C#N)c2ccccc2OC)ccc1OC(=O)c1ccc(Br)o1 31901972 UQJGOSSPOZUDSJ-PTNGSMBKSA-N 454.276 5.343 50 10 JKGE COc1cc(/C=C(\C#N)c2ccc(Cl)cc2)ccc1OC(=O)CCc1cccc(Cl)c1 33376354 NEAXPMNQXPUGEZ-DEDYPNTBSA-N 452.337 6.604 50 10 JKGE COc1ccc(/C=C(/C#N)C(=O)Nc2ccc(Br)cc2F)cc1OCc1ccccc1 33930445 WPUJWJBVHSBTRQ-WQRHYEAKSA-N 481.321 5.721 50 10 JKGE CCCc1cc(C(=O)OC)c(NC(=O)/C(C#N)=C\c2c[nH]nc2-c2ccc(Br)cc2)s1 34983473 PADJFBBQRVLODI-ZROIWOOFSA-N 499.390 5.185 50 10 JKGE Cc1ccc(C(=O)Oc2ccc(/C=C(/C#N)C(=O)Nc3ccc(Cl)cc3Cl)cc2)cc1 35179554 RRUGWCPMLCBJHZ-PDGQHHTCSA-N 451.309 6.067 50 10 JKGE CCOc1ccccc1C(=O)Oc1ccc2c(c1)OC(N)=C(C#N)[C@H]2c1cccc(Br)c1 38651548 NTRLTKBYQDYABO-QHCPKHFHSA-N 491.341 5.285 50 10 JKGE CCCCOc1ccc(-c2nn(-c3ccccc3)cc2/C=C(\C#N)C(=O)NCc2ccccc2)c(C)c1 39983127 SKVFHXFGURZGQS-NCELDCMTSA-N 490.607 6.250 50 10 JKGE COC(=O)c1c(NC(=O)N/N=C/c2ccc(OCc3ccccc3)c(OC)c2)sc2c1CCCC2 40844492 QRVKDODBASUXEP-JFLMPSFJSA-N 493.585 5.157 50 10 JKGE COc1cc(/C=C(\C#N)c2ccc(Cl)cc2)ccc1OC(=O)/C=C/c1ccc(Cl)cc1 40847932 NCHBVBFEXRAHQR-HHACBWALSA-N 450.321 6.685 50 10 JKGE COc1cc(/C=C(/C#N)c2nc3ccc(C)cc3[nH]2)ccc1Oc1ccc([N+](=O)[O-])cc1C(F)(F)F 50838735 ADPLQZHFYWYHBE-YBEGLDIGSA-N 494.429 6.663 50 10 JKGE C=CCc1cc(/C=N\NC(=O)CC[C@H](O)c2ccccc2)cc(OC)c1OCc1ccc(Cl)cc1 58887967 WBVMHUZKGACPBH-NYFJFQCHSA-N 493.003 5.620 50 10 JKGE Cc1ccc(C(=O)N/N=C2/C(=O)N(C(c3ccccc3)c3ccccc3)c3ccccc32)cc1Cl 59148808 GEKUWEWNBAURMI-GKPLWNPISA-N 479.967 5.919 50 10 JKGE Cc1ccc(/C(CSc2nc3ccccc3o2)=N\NC(=O)c2cccc([N+](=O)[O-])c2)c(C)c1 59460600 FKYSUFSZAHFHFP-QLYXXIJNSA-N 460.515 5.279 50 10 JKGE O=C(N/N=C(/CSc1nc2ccccc2o1)c1cccc(Br)c1)c1ccccc1O 59460796 CJRLVVCALLZVFV-BWAHOGKJSA-N 482.359 5.222 50 10 JKGE C/C(=N\NC(=O)COc1ccc(C)cc1Br)C(c1ccccc1)c1ccccc1 66202581 QTZFIDCHQRIHOP-NLRVBDNBSA-N 451.364 5.461 50 10 JKGE Fc1cc2c(cc1I)nc(CCl)n2Cc1ccc(Br)cc1 97408534 VTQBFEUJJGOXPL-UHFFFAOYSA-N 479.518 5.330 50 10 JKGE CCOc1ccc(-c2csc(/C(C#N)=C\Nc3ccc4c(c3)c3ccccc3n4CC)n2)cc1 102420005 ZTWKENAYAJBQQK-JZJYNLBNSA-N 464.594 7.313 50 10 JKGE Cc1csc(CC(CBr)(CBr)c2cccc(Br)c2)n1 127437794 MKLRHNZFRVGHAH-UHFFFAOYSA-N 468.052 5.484 50 10 JKGE CCOC(=O)/C(C#N)=C\c1ccc(OC(=O)/C=C/c2ccc(OCc3ccccc3)cc2)c(OC)c1 206269860 ANKYRHYQXVMIKO-ZJRWQGKSSA-N 483.520 5.363 50 10 JKGE CCCOc1ccccc1/C=C(/C#N)C(=O)Nc1scc(-c2ccc(CC)cc2)c1C(=O)OC 207232227 NMHDVIJIXAVNSZ-QNGOZBTKSA-N 474.582 6.099 50 10 JKGE COc1ccc(CCNC(=O)/C(C#N)=C\Nc2ccccc2Sc2ccccc2)cc1OC 216777720 ZFHFBWKKWWMJCV-ZZEZOPTASA-N 459.571 5.033 50 10 JKGE Cc1cc(Br)c([C@@H](Br)c2cccc(Cl)c2C)cc1Br 219950403 WHXDJXNQUVCPMU-HNNXBMFYSA-N 467.426 6.966 50 10 JKGE CCOc1ccc(Br)cc1[C@H](Br)c1csc(Br)c1 233784778 MBOOYNVUVPPMHU-CYBMUJFWSA-N 455.009 6.156 50 10 JKGE COc1ccc([C@@H](Br)c2cc(Cl)ccc2I)c(F)c1 234974241 XDTGNWHEPDCYLU-CQSZACIVSA-N 455.492 5.577 50 10 JKGE COc1c(C)cc(Br)c(C)c1[C@H](Br)c1csc(Br)c1 235029179 NRSWPJQUDZNIQH-CYBMUJFWSA-N 469.036 6.383 50 10 JKGE O=C(c1cc(Br)ccc1I)[C@@H](Cl)c1ccc(F)cc1 236258745 ORUCJIRBWRUQLW-ZDUSSCGKSA-N 453.476 5.356 50 10 JKGE Cc1cccc(C)c1-n1c(C)cc(C=NNC(=O)C(O)(c2ccccc2)c2ccccc2)c1C 254296209 ZXRTWHLEQZXFJS-UHFFFAOYSA-N 451.570 5.097 50 10 JKGE COc1ccc(C=NNC(=O)C(CC(=O)c2ccccc2)=C(C)C)cc1CN1CCCc2ccccc21 254308010 KUWDDRLHBFKYCV-UHFFFAOYSA-N 495.623 5.708 50 10 JKGE O=C(NN=Cc1ccc(N(c2ccccc2)c2ccccc2)cc1)c1cc2ccccc2cc1O 254508457 MLKTXKDLYQKYEJ-UHFFFAOYSA-N 457.533 6.779 50 10 JKGE O=C(NN=Cc1c2ccccc2cc2ccccc12)c1ccc(CN2CCN(c3ccccc3)CC2)cc1 254606700 CTFMEBWEZQKOOF-UHFFFAOYSA-N 498.630 6.079 50 10 JKGE CC(=NNC(=O)c1ccc(Cl)cc1Cl)c1cccc(NC(=O)c2ccc(Cl)cc2)c1 254869475 JIKBRCYMHPCKOA-UHFFFAOYSA-N 460.748 6.053 50 10 JKGE O=P(N=c1nc(-c2ccccc2)n(-c2ccccc2)s1)(Nc1ccccc1)Nc1ccccc1 263627900 BUARWZFFQHIBKU-UHFFFAOYSA-N 483.537 6.834 50 10 JKGE Cc1cc(Br)c([C@H](Br)c2cc(F)ccc2Cl)cc1Br 311687585 RUEGKGZXWHSFEJ-AWEZNQCLSA-N 471.389 6.797 50 10 JKGE Cl[C@H](c1cc2c(cc1Br)OCCCO2)c1sccc1I 380871534 OUPGOZWZZRNRFL-CYBMUJFWSA-N 485.568 5.605 50 10 JKGE CCOc1cccc2c1nc([C@@H](C)Cl)n2CCCN(Cc1ccccc1)Cc1ccccc1 390492702 QBZOQIVHGAVRBE-JOCHJYFZSA-N 462.037 6.827 50 10 JKGE N#CSc1ccc(NC(=O)c2ccc(NC(=O)NC3CCCCCCCCCCC3)cc2)cc1 586613107 XCLLSLOYZGMFCF-UHFFFAOYSA-N 478.662 7.307 50 10 JKGE CC(C)(C)[Si](C)(C)OCc1ccccc1[C@@H]1CCCCCN1S(=O)(=O)c1ccccc1 616626325 FEWJZKZEGCOAJR-DEOSSOPVSA-N 459.728 6.514 50 10 JKGE C[C@@H]1[C@@H](Br)C[C@H]2CC[C@H]1N2Cc1cc(Cl)ccc1I 686184119 GEVAIFHWRKBDBF-BXKLLYQPSA-N 454.577 5.081 50 10 JKGE Cn1ncc(Br)c1[C@@H](Br)c1cc(Cl)c(Cl)c(Cl)c1Cl 693084528 DPQLDQMVJCVQPT-ZETCQYMHSA-N 467.803 6.281 50 10 JKGE ClCc1nc2cccc(Br)c2n1-c1ccc(Br)cc1Br 697734274 GIZQTDSGPQZNMQ-UHFFFAOYSA-N 479.397 6.052 50 10 JKGE Fc1cc(I)ccc1-n1c(CCl)nc2ccc(Br)cc21 697792124 KDVZYHYWJMPRID-UHFFFAOYSA-N 465.491 5.271 50 10 JKGE COc1nscc1COc1c(Br)cc(Br)cc1CBr 711621926 CGTIQUFMGHMAMK-UHFFFAOYSA-N 471.996 5.151 50 10 JKGE Fc1cc(Br)c(Cl)cc1[C@@H](Br)c1csc(C(F)(F)F)c1 718730205 LVXMENRNXOCWSE-NSHDSACASA-N 452.492 6.806 50 10 JKGE CN(C[C@H]1CCCCN1Cc1ccccc1)c1ccc(CBr)cc1Br 720017485 WOIHSXISZLCGBZ-LJQANCHMSA-N 466.261 5.835 50 10 JKGE CC1(C)CN(Cc2ccccc2)C[C@H]1n1c(CCl)nc2cc(Br)c(F)cc21 720703646 RBGJDBYVRNMELW-LJQANCHMSA-N 450.783 5.760 50 10 JKGE CCOc1ccc(C=NNC(=O)c2ccc(CN3CCC(Cc4ccccc4)CC3)cc2)cc1 725423674 QHUGUIKSSVVETC-UHFFFAOYSA-N 455.602 5.304 50 10 JKGE CCOc1ccc(NC(=O)/C(C#N)=C\c2cc(Cl)ccc2OCc2cccc(Cl)c2)cc1 1083953748 GJRBZBKIMHISRX-UYRXBGFRSA-N 467.352 6.517 50 10 JKGE O=C(NN=Cc1ccc(OCc2ccc(Br)cc2)cc1)c1ccc(Cl)cc1Cl 1084023290 ZLHDOGNALYFWAL-UHFFFAOYSA-N 478.173 6.099 50 10 JKGE CCCCCCOc1ccccc1C(=O)NN=Cc1ccc(OS(=O)(=O)c2ccccc2)cc1 1084166965 IWVZYZSDPAPWGR-UHFFFAOYSA-N 480.586 5.177 50 10 JKGE Cc1ccc(C=NNC(=O)COc2ccc3cc(Br)ccc3c2Br)c(C)c1 1084321747 PCADZUIHCAMZIT-UHFFFAOYSA-N 490.195 5.511 50 10 JKGE COc1cccc(C(=O)NN=Cc2ccccc2Oc2ccc(C(F)(F)F)cc2[N+](=O)[O-])c1 1084592784 KCYRBRKUUFFRAA-UHFFFAOYSA-N 459.380 5.178 50 10 JKGE COc1c(C(=O)NN=C2C(=O)N(Cc3ccccc3Cl)c3ccccc32)ccc2ccccc12 1084596100 ZGWATVVYHRROMD-UHFFFAOYSA-N 469.928 5.183 50 10 JKGE COc1cc(C=NNC(=O)COc2ccccc2-c2ccccc2)ccc1OCc1ccccc1C 1772753666 AUAVBBOSGICRFT-UHFFFAOYSA-N 480.564 5.779 50 10 JKGE COc1cc(C=NNC(=O)COc2ccc(Br)c(C)c2)ccc1OCc1ccc(C)cc1 1772754580 KXXHPUVMZXTAPX-UHFFFAOYSA-N 497.389 5.183 50 10 JKGE COc1cc(C=NNC(=O)COc2cccc3ccccc23)ccc1OCc1ccc(C)cc1 1772754773 UTVHMGDJFRDWQR-UHFFFAOYSA-N 454.526 5.265 50 10 JKGE C[C@@H](Oc1ccc(C(C)(C)C)cc1)C(=O)NN=Cc1ccc(OCc2ccccc2Cl)cc1 1772756456 ZCGKPMFGZAXBOK-LJQANCHMSA-N 464.993 6.134 50 10 JKGE CC(C)c1ccc(NC(=O)COc2cccnc2NC(=O)Nc2ccc(SC#N)cc2)cc1 1858835613 GMOXZJKTQQNQLE-UHFFFAOYSA-N 461.547 5.440 50 10 JKGE COc1ccc(-c2nn(Cc3ccccc3F)c3c2[C@H](c2ccc(C(C)C)cc2)C(C#N)=C(N)O3)cc1 1865685668 LFEZPYGKNJTWGV-AREMUKBSSA-N 494.570 6.088 50 10 JKGE CCCOc1ccc([C@H]2C(C#N)=C(N)Oc3c2c(-c2ccccc2)nn3-c2cccc3ccccc23)cc1 1865693966 NJBCVCPJZDRYHB-NDEPHWFRSA-N 498.586 6.699 50 10 JKGE Cc1ccsc1[C@H]1C(C#N)=C(N)Oc2c1c(C(F)(F)F)nn2Cc1ccc(Cl)c(Cl)c1 1865699200 NLJMRSZDDGGUCX-AWEZNQCLSA-N 485.318 5.845 50 10 JKGE COc1cccc([C@H]2C(C#N)=C(N)Oc3c2c(-c2ccccc2)nn3Cc2ccc(Cl)cc2)c1OC 1865700737 CFQPRSSIOUUWLO-QHCPKHFHSA-N 498.970 5.487 50 10 JKGE COc1ccc(/C=C(\C(=O)NNC(=O)c2ccc(-c3ccc(C)cc3)nc2C)c2ccccc2)cc1 1865757413 BSMVQCBTYXYMBI-DIBXZPPDSA-N 477.564 5.376 50 10 JKGE CC[C@](C)(NC(=O)Cc1nc(-c2cccc(Cl)c2)oc1C)C(=O)Nc1ccc(SC#N)cc1 1866666227 WCJGNVAVTMIMGI-DEOSSOPVSA-N 482.993 5.343 50 10 JKGE CC(C)(C)c1ccc(C(=O)NC/C(O)=C(\C#N)c2nc(-c3ccc(Br)cc3)cs2)cc1 1872746377 FGRVZAOGGQRZMB-VZCXRCSSSA-N 496.430 6.093 50 10 JKGE CC(C)(C)c1ccc(-c2csc(/C(C#N)=C(O)/C=C/c3ccc(Cl)cc3Cl)n2)cc1 1872750663 JKFQEKBNWUBDRQ-GOFAIBPGSA-N 455.410 7.920 50 10 JKGE Cc1cc(C)c(C)c(-c2csc(/C(C#N)=C(\O)COc3ccc(Cl)cc3Cl)n2)c1C 1872754074 BCJGSLNZVIHTQV-JZJYNLBNSA-N 459.398 7.222 50 10 JKGE COc1c(Cl)cc(Cl)cc1-c1csc(/C(C#N)=C(O)/C=C/c2ccc(C(C)(C)C)cc2)n1 1872754417 RMVDQEAVHAJREL-OCEZQBILSA-N 485.436 7.929 50 10 JKGE CCOc1ccc(OCC)c(-c2csc(/C(C#N)=C(O)/C=C/c3ccc(C(C)C)cc3)n2)c1 1872755036 VMZMVMRBZMYIST-JPZPWVHPSA-N 460.599 7.237 50 10 JKGE COc1ccc(-c2csc(/C(C#N)=C(\O)[C@H](C)Oc3ccc(Cl)cc3Cl)n2)cc1Cl 1872757623 OEJGGQGZSZLYOY-CJJSWDBDSA-N 481.788 7.039 50 10 JKGE Cc1ccc(-c2csc(/C(C#N)=C/c3c(OCc4ccccc4)ccc4ccccc34)n2)cc1C 1872793464 BDZYJBJMBGQYEN-YZSQISJMSA-N 472.613 8.223 50 10 JKGE Cc1ccc(-c2csc(/C(C#N)=C/c3ccc(OCc4ccc(Cl)cc4)cc3)n2)cc1C 1872793544 FSHUHHFUEXNMRE-OEAKJJBVSA-N 456.998 7.724 50 10 JKGE CC(C)(C)OC(=O)N[C@H](CBr)C1CCC2(CC1)CCN(C(=O)OC(C)(C)C)C2 1885097128 OKQQLYGLRQLUTD-ZGOJQLDESA-N 461.441 5.092 50 10 JKGE Clc1cc(I)c([C@@H](Br)c2ccccc2Br)s1 1901025770 JQHPAANEXMBSKD-JTQLQIEISA-N 492.401 6.253 50 10 JKGE Fc1ccc([C@H](Cl)c2sc(Br)cc2Br)cc1C(F)(F)F 1922880612 HPICJVTYVMQHJC-JTQLQIEISA-N 452.492 6.759 50 10 JKGE Cc1ccc([C@H](Br)c2sc(Br)cc2Br)cc1C(F)(F)F 1922888991 UGGASULTMZFLLF-NSHDSACASA-N 492.980 7.085 50 10 JKGE CC[C@@H](c1ccccc1)[C@@H](Br)c1sc(Br)c(C)c1Br 1922899753 DXBZOFDYWCJPGG-WCQYABFASA-N 467.064 7.211 50 10 JKGE Cc1ccc(Br)cc1[C@H](Cl)c1sc(Br)c(C)c1Br 1922943061 UJTBKQCRGBUQDG-NSHDSACASA-N 473.455 6.981 50 10 JKGE CCc1ccccc1[C@@H](Cl)c1c(Br)sc(Br)c1Br 1924585078 HBVBNZFAZPSXAR-LLVKDONJSA-N 473.455 6.926 50 10 JKGE Cl[C@H](C[C@H]1C[C@@H]1C1CC1)c1c(Br)sc(Br)c1Br 1924612911 OZELRXHUAWBQIE-BWZBUEFSSA-N 463.460 6.752 50 10 JKGE CC(C)C[C@H](C)[C@H](Br)c1c(Br)sc(Br)c1Br 1924614599 ZKZOOKBWRQRDJE-XPUUQOCRSA-N 497.916 7.154 50 10 JKGE CC(C)C(CBr)(CBr)Cc1cc(Br)ccc1Br 2006503662 QTYPRTUGEFKYOA-UHFFFAOYSA-N 491.887 6.186 50 10 JKGE Fc1ccc(I)cc1[C@@H](Br)Cc1ccc(Br)cc1 2050467372 LDYGSGCXLPZAFF-ZDUSSCGKSA-N 483.944 5.872 50 10 JKGE Fc1cc(Cl)c(Br)cc1[C@H](Br)c1cc(Br)c(Cl)s1 2052445087 OSAYJVNETQUPHO-JTQLQIEISA-N 497.836 7.203 50 10 JKGE CC(F)(F)C1([C@H](Br)c2c(Br)sc(Br)c2Cl)CCC1 2069944547 KISWUHRUCMBNIG-SSDOTTSWSA-N 487.429 7.188 50 10 JKGE Clc1c(Br)sc(Br)c1[C@H](Br)[C@@H]1C[C@@]12CCCOC2 2077423833 QKSUFRVWKZNGTH-BLYIZYRKSA-N 479.459 6.179 50 10 JKGE Cc1nc(C[C@H](Br)c2ccc(I)c(Cl)c2)sc1C 2085798009 LRQGBMATYQLLJU-JTQLQIEISA-N 456.574 5.697 50 10 JKGE FC1(F)[C@H]2C[C@@H]([C@@H](Br)c3cc(Br)ccc3Br)CC[C@H]21 2090801698 FBCLDUUGYMYHJG-LXOIKGMDSA-N 458.966 6.329 50 10 JKGE COc1cc(F)c(Br)cc1[C@@H](Br)c1cc(Br)sc1C 2095699712 RFNKAJACTKIILZ-ZDUSSCGKSA-N 472.999 6.214 50 10 JKGE CC(C)CO[C@@H](C)COc1c(Br)cc(CBr)cc1Br 2109219835 PBCABLUHRKJWFY-JTQLQIEISA-N 459.016 5.546 50 10 JKGE O=S(=O)(c1ccc(Cl)c(CBr)c1Cl)N(Cc1ccccc1)C1CCCC1 2123252157 NHFLWBZLFVGHCD-UHFFFAOYSA-N 477.251 6.022 50 10 JKGE ClC[C@@H](CC1CCCCC1)Nc1ncc(I)cc1Br 2133384619 MFJFIEICUDMGGX-GFCCVEGCSA-N 457.581 5.438 50 10 JKGE FC1(F)C[C@]12CC[C@H]([C@@H](Br)c1ccc(Br)cc1Br)C2 2138859186 AOSQQAPXPNFXSQ-ZEGGKSINSA-N 458.966 6.473 50 10 JKGE Cc1ccc(F)cc1[C@@H](Br)c1ccc(Br)c(C)c1Br 2138875150 CFRBZJRGTQGTLE-HNNXBMFYSA-N 450.971 6.452 50 10 JKGE Fc1ccc(N2CCC[C@H]2[C@H]2CCN(Cc3ccccc3)C2)c(CBr)c1Cl 2145257532 WICLIQBHKBOCAJ-PXNSSMCTSA-N 451.811 5.865 50 10 JKGE Cc1cc(Br)c([C@H](Br)C2(CC(F)(F)F)CCC2)cc1Br 2151976339 ZBCYAPACUAZWCZ-LBPRGKRZSA-N 478.972 7.079 50 10 JKGE Clc1cc(Br)c([C@H](Cl)c2ccc3cc(Br)ccc3c2)s1 2154478452 KUBBXUJNPWADTM-CQSZACIVSA-N 451.010 7.408 50 10 JKGE ClCCc1nc2cc(Br)c(Cl)cc2n1-c1csnc1Br 2160062082 XDHHSSOWVMSDPP-UHFFFAOYSA-N 455.990 5.442 50 10 JKGE COCc1cc(Br)c([C@@H](Cl)c2cc(Cl)c(C)c(Br)c2)s1 2167384907 RHLOVLQUAPZENH-ZDUSSCGKSA-N 459.030 6.710 50 10 JKGE CN(C[C@@H](Br)C1CCCC1)C(=O)c1c(Br)cccc1Br 2167644139 VCHHDBAZHAJMGP-CYBMUJFWSA-N 468.027 5.237 50 10 JKGE ClCCc1nc2cc(Cl)c(Br)cc2n1C[C@H]1CCCN1Cc1ccccc1 2169015422 MICDFVZKYKVYHQ-MRXNPFEDSA-N 467.238 5.898 50 10 JKGE Cc1cccc([C@@H](CI)OCc2cc(Cl)ccc2Br)c1 2200754125 SWNBBIDVFVFHBE-MRXNPFEDSA-N 465.556 6.104 50 10 JKGE COc1ccc([C@H](Br)c2cc(Br)c(Cl)cc2C)cc1Br 2202353790 UMIBYUBMWHBBFQ-HNNXBMFYSA-N 483.425 6.666 50 10 JKGE F[C@@]12CCC[C@]1(CBr)CN(Cc1ccc(I)c(Cl)c1)C2 2208028809 GSQUSWDOVHHZPZ-LSDHHAIUSA-N 472.567 5.034 50 10 JKGE FC(F)CCC[C@H](Cl)c1c(Br)sc(Br)c1Br 2212205162 RKKADRSXLDJJNU-BYPYZUCNSA-N 461.391 6.751 50 10 JKGE Cc1sc(Br)cc1[C@@H](Cl)c1c(Br)cc(Cl)c(Cl)c1Cl 2224318607 YFJMVSVZTDKWCN-SNVBAGLBSA-N 483.867 7.870 50 10 JKGE Fc1cc(Br)c(Br)cc1[C@H](Br)C1CC(C2CCC2)C1 2225619263 GRPXGOIXJDBRRF-HKJQSTPSSA-N 455.003 6.613 50 10 JKGE COc1cc(C)ccc1[C@H](Cl)c1c(Br)sc(Br)c1Br 2225620287 SQQLDWUIGFWCQC-NSHDSACASA-N 489.454 6.681 50 10 JKGE Cc1cc(Br)c([C@H](Br)[C@@H]2CCOC[C@H]2C)c(C)c1Br 2227346892 GGCOJLJFHNDVFR-XDMRBOTDSA-N 455.028 5.937 50 10 JKGE Cn1ncc(Cl)c1[C@H](Br)Cc1cc(Br)cc(Br)c1 2263515059 KBGVNLAQFHPOOF-SNVBAGLBSA-N 457.391 5.277 50 10 JKGE Fc1ccc(Br)cc1[C@@H](Cl)Cc1cc(Br)cc(Br)c1 2277962829 MHJXQOGDXGITBN-ZDUSSCGKSA-N 471.389 6.636 50 10 JKGE C[C@]1([C@H](Br)Cc2cc(Br)cc(Br)c2)C[C@@H]1C(F)(F)F 2277964338 DTYBPOQVBIJJJB-TUAOUCFPSA-N 464.945 6.106 50 10 JKGE Cc1cc(Br)c([C@H](Br)[C@H]2CC(F)(F)C23CCC3)cc1Br 2280865215 PBJWFHJOEMWLDS-MFKMUULPSA-N 472.993 6.782 50 10 JKGE Cc1cc([C@@H](Br)c2cc(F)c(Br)cc2Cl)c(C)cc1Br 2282898753 ISQWSXPQJAMGNU-OAHLLOKOSA-N 485.416 7.105 50 10 JKGE CCOC(=O)c1c(-c2ccc(Cl)cc2)csc1NC(=O)C(C#N)=Cc1ccc(N(C)C)cc1 2296500320 GYLBADUBJACUSJ-UHFFFAOYSA-N 479.989 5.857 50 10 JKGE N#CC(=Cc1ccccc1OCc1c(Cl)cccc1Cl)C(=O)c1cccc(C(F)(F)F)c1 2297564709 QHIDFABLBQKAJK-UHFFFAOYSA-N 476.281 7.381 50 10 JKGE Brc1ccc(OCc2ccccc2)c([C@@H](Br)C[C@@H]2C[C@H]2C2CC2)c1 2299500065 BZXYGTGQQDFCRI-QRFRQXIXSA-N 450.214 6.900 50 10 JKGE Brc1cc(OCc2ccccc2)ccc1[C@H](Br)[C@]12COC[C@H](C1)C2 2299526018 UAXRIADSODHJSC-YSSFQJQWSA-N 452.186 5.891 50 10 JKGE FC(F)COCC[C@@H](Br)c1ccc(OCc2ccccc2)cc1Br 2299531001 RNVDPSZWNMIJTP-MRXNPFEDSA-N 464.144 6.136 50 10 JKGE O=S1(=O)CCC[C@H]1[C@H](Br)c1ccc(OCc2ccccc2)cc1Br 2299534343 CKSHYNXCPADMLB-ZWKOTPCHSA-N 474.214 5.041 50 10 JKGE CCN(C[C@](C)(CI)O[C@H](CC1CC1)C1CC1)C(=O)OC(C)(C)C 2303851025 YMBIRNFDIAEQML-APWZRJJASA-N 451.389 5.032 50 10 JKGE CCOc1cc(C=C(C#N)C(=O)Nc2ccc(C)c(C)c2)ccc1OCc1ccccc1C#N 2313511274 XLPBLDBZMRIBFZ-UHFFFAOYSA-N 451.526 5.699 50 10 JKGE C[C@]12CC[C@@H]3[C@H](CC=C4C[C@@H](OC(=O)C=Cc5ccccc5)CC[C@@]43C)[C@@H]1CCC2=NNC(N)=O 2313652936 NMEUWUBEWUDIDC-JEHBBUEXSA-N 475.633 5.599 50 10 JKGE Cc1ccc(C)c(NC(=O)C(C#N)=Cc2cc(Br)ccc2OCc2ccccc2Cl)c1 2313666986 ABMONHVKLBETPU-UHFFFAOYSA-N 495.804 6.844 50 10 JKGE Fc1cc(Cl)c(Br)c(Cl)c1[C@H](Cl)c1cscc1Br 2313746962 ULARTVFKONNFAB-SNVBAGLBSA-N 453.385 7.047 50 10 JKGE Fc1cc(Cl)c(Br)c(Cl)c1[C@H](Br)c1cc(Br)co1 2313813474 KYZWWGCEJGGOQN-SNVBAGLBSA-N 481.768 6.735 50 10 JKGE COC[C@@H]1CC[C@H]([C@@H](Br)c2cc(Br)ccc2OCc2ccccc2)C1 2314441030 VLWPIIGEAJGVHP-LLGFUMIMSA-N 468.229 6.527 50 10 JKGE CCCCOc1ccc(C=C2C(=O)N(Cc3ccc(C)cc3)C(=O)C(C#N)=C2C)cc1OCC 2314617187 SHFFILKPWMXMNG-UHFFFAOYSA-N 458.558 5.365 50 10 JKGE CC1=C(C#N)C(=O)N([C@@H](C)c2ccccc2)C(=O)C1=Cc1ccc(OCc2ccccc2F)cc1 2314617950 DOKPAFJUJXBULC-FQEVSTJZSA-N 466.512 5.758 50 10 JKGE Cc1ccc(C=CC(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@@H]3c2cccc(OCCC(C)C)c2)cc1 2314634810 OINBNXRUGNHYJT-SSEXGKCCSA-N 494.591 6.257 50 10 JKGE Fc1c(Br)cc(Cl)c([C@@H](Br)[C@@H]2C[C@H]2C2CC2)c1Br 2315463469 RIHKVMIVDAXDKJ-CVJICSNFSA-N 461.394 6.486 50 10 JKGE Cc1sc(Br)c([C@@H](Cl)c2ccc(Cl)cc2I)c1C 2317778979 REKIWCHRTBAXGY-LBPRGKRZSA-N 476.004 6.714 50 10 JKGE Cc1nc(-c2ccc(F)c(F)c2)ccc1C(=O)NN=Cc1cc(Cl)cc(Br)c1O 2321218335 CIORQYUGVDUJRU-UHFFFAOYSA-N 480.696 5.221 50 10 JKGE Cc1cc(Br)c([C@@H](Br)[C@@H]2CC[C@@H]3[C@H]2C3(F)F)cc1Br 2329189239 YARXPGWOJVNNDG-HVJKSMARSA-N 458.966 6.247 50 10 JKGE COc1ccc(C=C(C#N)S(=O)(=O)c2ccccc2)cc1OCc1ccc(Cl)c(Cl)c1 2331030479 VWTNRWHCVRAGAV-UHFFFAOYSA-N 474.365 5.919 50 10 JKGE Cc1ccc(C)c(-c2csc(C(C#N)=C(O)C=Cc3ccc(OCc4ccccc4Cl)cc3)n2)c1 2331319665 VLHYBSVHOQGLEQ-UHFFFAOYSA-N 499.035 8.165 50 10 JKGE COc1ccc(C(C)(C)C)cc1-c1csc(C(C#N)=C(O)c2ccc(Cl)c(Cl)c2)n1 2331349345 LWLBIRNKTKYVSO-UHFFFAOYSA-N 459.398 7.373 50 10 JKGE Brc1cc(OCc2ccccc2)ccc1[C@H](Br)C1C[C@H]2CCC[C@H](C1)C2 2336047779 OONZAMBAJDHYFR-IUKKYPGJSA-N 478.268 7.681 50 10 JKGE Brc1ccc(OCc2ccccc2)c([C@H](Br)[C@H]2CCn3ccnc3C2)c1 2336057902 WFBXEHRFPGYXMD-HRAATJIYSA-N 476.212 5.923 50 10 JKGE Fc1c(Br)cc(Cl)c([C@@H](Br)C23CCC(CC2)O3)c1Br 2337106757 LVKBJRUCHADLBS-SKPUXYCPSA-N 477.393 6.152 50 10 JKGE Cn1cnc(Br)c1[C@H](Br)c1c(Br)cc(F)c(Cl)c1F 2337274639 KQTHOQBLRHPMSK-SSDOTTSWSA-N 479.344 5.361 50 10 JKGE CCCc1sc(Br)cc1[C@@H](Cl)c1ccc(I)c(C)c1 2338017191 JYDLIUPRRSJCEU-HNNXBMFYSA-N 469.613 6.704 50 10 JKGE Clc1cc(I)c([C@@H](Br)[C@@H]2COc3ccccc3O2)s1 2338772124 DCGCFTFEFDHOOW-JQWIXIFHSA-N 471.541 5.282 50 10 JKGE COc1c(Br)cc(C)c([C@H](Br)CC[C@@H]2C[C@H]2C)c1Br 2339680233 UUZDCXSFVXWTJY-FBIMIBRVSA-N 455.028 6.401 50 10 JKGE Clc1ccc(C[C@]2(CBr)CCCC23CCC3)c(I)c1 2341050091 MYQBVPLUNJTCAJ-INIZCTEOSA-N 453.589 6.223 50 10 JKGE COc1cc(OC)cc([C@H](Br)c2ccc(OCc3ccccc3)cc2Br)c1 2361193486 ACYAPEBLQDNGAY-QFIPXVFZSA-N 492.207 6.530 50 10 JKGE C[C@@H]1O[C@H](C)[C@H]([C@@H](Br)c2c(Cl)cc(Br)c(F)c2Br)[C@H]1C 2362231711 YKGXCPZDNMBQMH-YLYRHLFOSA-N 493.436 6.500 50 10 JKGE Cc1cc(Br)c(F)c(Br)c1[C@H](Br)[C@@H]1C[C@@H]2C[C@@H]2C[C@@H]1C 2365188240 JJHUZPSXZHIFPF-NEVIBGKESA-N 469.030 6.777 50 10 JKGE COc1c(Br)cc(C)c([C@H](Br)[C@H]2C[C@@H]2C(F)(F)F)c1Br 2365191177 LUDWBIUCKIWYFD-MHYGZLNHSA-N 480.944 6.163 50 10 JKGE CC[C@@H]1CC[C@@H]([C@@H](Br)c2c(C)cc(Br)c(OC)c2Br)O1 2365196557 NJSHIMDXCNCIBO-SUZMYJTESA-N 471.027 5.922 50 10 JKGE Cc1cc(Br)c(F)c(Br)c1[C@@H](Br)CC(F)(F)C(F)(F)F 2365218964 OGGIXQABCSKPMH-LURJTMIESA-N 492.877 6.683 50 10 JKGE COC(C)(C)C1([C@H](Br)c2c(F)cc(Br)c(F)c2Br)CC1 2369559321 HJMHXBSFZKUUCL-GFCCVEGCSA-N 476.981 6.131 50 10 JKGE CC(C)(C)OC(=O)NC[C@@]1(C)CN(CC2(CBr)CCCCCC2)CC1(F)F 2379692593 KDIBCDQWVNYYML-SFHVURJKSA-N 453.412 5.204 50 10 JKGE Clc1cccc([C@H](CBr)OCc2cc(I)ccc2Cl)c1 2380345501 APWZVVJJRKPICE-HNNXBMFYSA-N 485.974 6.251 50 10 JKGE O=C(NC1CCCCC1)[C@H](c1cccc(Br)c1)N(CCC1=CCCCC1)C(=O)CCl 3040217 CIPYOTOILAMTJG-QHCPKHFHSA-N 495.889 5.897 50 10 JKGE Cc1c(/C=C(/C#N)C(=O)N[C@@H](C)c2ccccc2)c2ccccn2c1C(=O)c1ccc(F)cc1 3256605 XGEDTPZXDHMALD-ODENVGOISA-N 451.501 5.402 50 10 JKGE COc1ccc(CCCc2nnc(SCC(=O)NN=Cc3cccc(Cl)c3Cl)o2)c(C)c1 8451743 KUODAOSFWJKWHS-UHFFFAOYSA-N 493.416 5.111 50 10 JKGE CCCCCCOc1ccc(C(=O)NNC(=S)NC(=O)c2cccc(OCCC(C)C)c2)cc1 14644980 ZGKGRIDAQHTYMA-UHFFFAOYSA-N 485.650 5.020 50 10 JKGE COc1ccc(-c2nn(-c3ccccc3)cc2/C=C(/C#N)c2nc(-c3cccs3)cs2)cc1 33471731 RKLRCOBYKNJQIG-RGEXLXHISA-N 466.591 6.797 50 10 JKGE N#C/C(=C/c1ccc(-n2nc(-c3ccccc3)cc2-c2ccccc2)cc1)C(=O)NCc1ccccc1 33568559 AEJASFPIPCTHJM-RRAHZORUSA-N 480.571 6.430 50 10 JKGE COc1ccccc1[C@H]1C(C#N)=C(N)Oc2cc(OC(=O)c3ccc(Cl)cc3Cl)ccc21 38649997 XAHQNLHWHNERSN-JOCHJYFZSA-N 467.308 5.439 50 10 JKGE N#CC1=C(N)Oc2cc(OC(=O)Cc3ccc(Cl)cc3)ccc2[C@@H]1c1c(F)cccc1Cl 38680707 QLRUIFVZBQWNEN-QFIPXVFZSA-N 469.299 5.499 50 10 JKGE CCCCCOc1ccccc1[C@@H]1C(C#N)=C(N)Oc2cc(OC(=O)COc3ccc(C)cc3)ccc21 38686044 DSUOLDZJZMJBCQ-LJAQVGFWSA-N 498.579 5.767 50 10 JKGE Cc1c(C(=O)Nc2cc(Cl)ccc2Cl)oc2c1/C(=N/NC(=O)c1cccs1)CCC2 40823718 LYDLEIKBIYQQII-AFUMVMLFSA-N 462.358 5.679 50 10 JKGE Cc1ccc2c(CC(=O)N/N=C3\CCCc4oc(C(=O)NCCc5ccccc5)c(C)c43)coc2c1C 40826688 ORJQAVGGLQPLRH-FEZSWGLMSA-N 497.595 5.323 50 10 JKGE COc1ccc(/C=C(/C#N)C(=O)Nc2cccc(Cl)c2)cc1OCc1ccc(Br)cc1 59117063 VIFDQWVGMDJIJE-WQRHYEAKSA-N 497.776 6.236 50 10 JKGE O=C(N/N=C/c1cc(Cl)c(OCc2ccccc2F)c(Cl)c1)c1cc2ccccc2o1 59305014 KYCTZVPWOBVKRC-KKMKTNMSSA-N 457.288 6.222 50 10 JKGE CCOc1ccc(N2C(=O)[C@H](Cc3ccccc3C)S/C2=C(/C#N)C(=O)Nc2cccc(C)c2)cc1 101245673 LDJGULRANDGVRN-HFVAWESISA-N 497.620 5.767 50 10 JKGE Fc1ccc(C(CBr)(CBr)Cc2cc(Br)cs2)cc1 118671144 NZTWSGWHQCYOCG-UHFFFAOYSA-N 471.027 5.920 50 10 JKGE Cc1cc(Br)c([C@H](Br)c2cccc(OC(C)C)c2)cc1Br 128782136 VSRLYSWZOBGDQU-QGZVFWFLSA-N 477.034 6.792 50 10 JKGE COc1ccc(Br)cc1[C@H](Br)c1c(F)cccc1Br 161189421 MJOMSZJOCQFSHP-AWEZNQCLSA-N 452.943 5.844 50 10 JKGE C[C@H](Br)[C@@](Br)(CBr)C(=O)Oc1ccc(Cl)cc1Cl 205782439 GDXBXROBZFOHBW-KGFZYKRKSA-N 483.809 5.211 50 10 JKGE CCCCCCCOc1ccc(/C=C2\C(=O)N(Cc3ccc(F)cc3)C(=O)C(C#N)=C2C)cc1 214410965 BTHJPPKDTZBVFR-UQQQWYQISA-N 460.549 5.967 50 10 JKGE Cc1cccc([C@@H](Br)c2sccc2Br)c1I 235928687 QHNMWRARFLSDAL-SNVBAGLBSA-N 471.983 5.908 50 10 JKGE C/C(C=NNC(=O)CNc1ccc(I)c(C)c1)=C\c1ccc(C(C)C)cc1 254312745 QJIXQLGNCDPQPQ-UNUAVDTESA-N 475.374 5.340 50 10 JKGE CCCCCCCCCC(=O)NN=Cc1c(OC(=O)c2ccc(OC)cc2)ccc2ccccc12 254573096 LYKBZQASYNQNNP-UHFFFAOYSA-N 474.601 6.658 50 10 JKGE CC(=NNC(=O)c1csc(-n2nc(C(F)(F)F)cc2-c2ccccc2)n1)c1ccc(F)cc1 254628027 GDZLTEHSOWNMIT-UHFFFAOYSA-N 473.455 5.308 50 10 JKGE COc1ccc(C=NNC(=O)CSc2ccc(C)cc2)cc1CN1CCCc2ccccc21 254813051 OVIDBWAKXARHIY-UHFFFAOYSA-N 459.615 5.199 50 10 JKGE Cc1cccc([C@H](Br)c2c(F)c(F)cc(F)c2F)c1I 396089062 NWMTUUCCVVVNGA-NSHDSACASA-N 459.018 5.640 50 10 JKGE CC(C)(C)OC(=O)NCCN1CCOC[C@H]1c1cccc(CO[Si](C)(C)C(C)(C)C)c1 616641345 ZYSXGDYPHXUZSE-NRFANRHFSA-N 450.696 5.106 50 10 JKGE COCc1cc(Br)c([C@H](Br)c2cccc(Br)c2C)s1 688147685 SEVREIDYNOBVGA-CYBMUJFWSA-N 469.036 6.212 50 10 JKGE C[C@]12CN(Cc3ccccc3)C[C@@H]1CN(c1ccc(CBr)cc1Br)C2 702090920 XDDJDHRKKRIOHX-WIYYLYMNSA-N 464.245 5.302 50 10 JKGE CC(CC(C)(C)c1ccccc1)=NNC(=O)CN(c1ccccc1F)S(=O)(=O)c1ccc(C)cc1 1083892496 OWHYSLUMFOHJHF-UHFFFAOYSA-N 495.620 5.189 50 10 JKGE CCOC(=O)COc1ccccc1C=NNC(=O)c1ccc(-n2c(C)ccc2-c2ccccc2)cc1 1084141171 WEBZPJMTZKCEQO-UHFFFAOYSA-N 481.552 5.159 50 10 JKGE O=C(CC[C@H](O)c1ccccc1)NN=Cc1ccc(-c2cc([N+](=O)[O-])c(Cl)cc2Cl)o1 1084473823 YYMLIZGROZZDEX-IBGZPJMESA-N 462.289 5.126 50 10 JKGE CC(C)(C)OC(=O)Nc1ccc(Cl)c(NS(=O)(=O)c2ccc(CBr)cc2)c1 1260509828 LEHJLIOJQQRSOA-UHFFFAOYSA-N 475.792 5.383 50 10 JKGE CC(C)(C)OC(=O)N1C[C@@H](CI)[C@H](c2ccc(OC(C)(C)C)cc2)C1 1614621520 GSXRGCCLWIKONL-WBVHZDCISA-N 459.368 5.249 50 10 JKGE CC(C)(C)N(/N=C/c1ccc(OC(=O)c2ccccc2)cc1)C(=O)c1cc(Cl)cc(Cl)c1 1615946752 SZELEJLSPAPZRO-LQKURTRISA-N 469.368 6.487 50 10 JKGE COc1cc(C=NNC(=O)CSc2nc(-c3ccccc3)cs2)ccc1OCc1ccccc1 1772755031 HTQWPCOBJOSLFJ-UHFFFAOYSA-N 489.622 5.640 50 10 JKGE N#CC1=C(N)Oc2c(c(-c3ccccc3)nn2-c2cccc(Cl)c2)[C@@H]1c1cccc2ccccc12 1865682000 CVKJTHAFLUUCQZ-RUZDIDTESA-N 474.951 6.564 50 10 JKGE CCCc1nn(-c2ccc(Br)cc2)c2c1[C@@H](c1cccc3ccccc13)C(C#N)=C(N)O2 1865682817 XZTVYPNMDLJADA-QHCPKHFHSA-N 485.385 5.959 50 10 JKGE COc1ccc(-c2nn(Cc3cc(C)ccc3C)c3c2[C@H](c2ccccc2F)C(C#N)=C(N)O3)cc1 1865683694 NCUAWYDRJKVWQA-RUZDIDTESA-N 480.543 5.581 50 10 JKGE CCCCOc1ccc([C@H]2C(C#N)=C(N)Oc3c2c(C(F)(F)F)nn3Cc2cccc(F)c2)cc1 1865690526 UBAFIBMOKKUJOA-FQEVSTJZSA-N 486.469 5.486 50 10 JKGE CCOc1ccc([C@H]2C(C#N)=C(N)Oc3c2c(-c2ccccc2)nn3-c2ccccc2Cl)cc1 1865694575 XJDROCLVVMHGAI-QHCPKHFHSA-N 468.944 5.810 50 10 JKGE CCCOc1cccc([C@@H]2C(C#N)=C(N)Oc3c2c(CC)nn3-c2cccc3ccccc23)c1 1865694642 YIQUCVSLYHTSQK-RUZDIDTESA-N 450.542 5.595 50 10 JKGE CCN(CC)c1ccc([C@@H]2C(C#N)=C(N)Oc3c2c(C(F)(F)F)nn3Cc2ccc(C)cc2)cc1 1865701949 JFEHJJUMPKEIFC-OAQYLSRUSA-N 481.522 5.323 50 10 JKGE N#CC1=C(N)Oc2c(c(C(F)(F)F)nn2Cc2ccc(Cl)c(Cl)c2)[C@H]1c1cccc(F)c1 1865710538 BIMCRBNSKOFFCX-INIZCTEOSA-N 483.252 5.614 50 10 JKGE N#CC1=C(N)Oc2c(c(C(F)(F)F)nn2-c2cccc(Cl)c2)[C@@H]1c1ccc(C(F)(F)F)cc1 1865710935 LZENCGYKDSTXJS-OAHLLOKOSA-N 484.787 5.781 50 10 JKGE COc1ccc2c(c1)CCN(c1cc(Nc3ccc(SC#N)cc3)nc(Cc3ccccc3)n1)[C@H]2C 1868207360 LOXKXFNVRYWVIN-FQEVSTJZSA-N 493.636 6.516 50 10 JKGE CCCc1nc(Nc2ccc(SC#N)cc2)cc(N2CCCc3ccc(N4CCCC4)cc32)n1 1868388059 DKHFQBKQRJLHMW-UHFFFAOYSA-N 470.646 6.430 50 10 JKGE CCCOc1ccc(-c2csc(/C(C#N)=C(\O)CCCOc3ccc(C(C)(C)C)cc3)n2)cc1 1872749386 PATGWWRNNDNHCP-LCUIJRPUSA-N 476.642 7.548 50 10 JKGE Cc1cc(-c2csc(/C(C#N)=C(\O)c3cc(C(F)(F)F)cc(C(F)(F)F)c3)n2)ccc1F 1872749872 LDSBCPKPYJIOGR-SDXDJHTJSA-N 472.385 7.245 50 10 JKGE CCOc1ccc(-c2csc(/C(C#N)=C(\O)COc3ccccc3OC)n2)c(OCC)c1 1872755206 CTCCQMAFVULXFE-ZZEZOPTASA-N 452.532 5.488 50 10 JKGE CCOc1ccc(-c2csc(/C(C#N)=C(\O)[C@H]3CC(=O)N(C(C)(C)C)C3)n2)c(OCC)c1 1872755217 DFQDPUALLNQOOE-YUCJCZDXSA-N 455.580 5.047 50 10 JKGE COc1ccc(-c2csc(/C(C#N)=C(O)/C=C/c3cc(OC)c(OC)c(OC)c3)n2)cc1Cl 1872757537 KOTPSHGKSPEXHH-BCGFRQHJSA-N 484.961 6.004 50 10 JKGE N#C/C(=C(/O)c1ccc(N2CCCC2)c([N+](=O)[O-])c1)c1nc(-c2cc(Cl)ccc2Cl)cs1 1872758691 LSZWKORFUBLNCZ-PGMHBOJBSA-N 487.368 6.575 50 10 JKGE COc1c(Cl)cc(-c2csc(/C(C#N)=C/c3cc(Br)ccc3O)n2)cc1Cl 1872794663 ORIKUIFDPVNOIR-UUILKARUSA-N 482.186 6.658 50 10 JKGE C[C@@H](COc1c(Br)cc(Br)cc1CBr)OC(C)(C)C 1876995718 UVGXIZCHNGEJTG-VIFPVBQESA-N 459.016 5.689 50 10 JKGE Fc1cc(Cl)c(Br)c(Cl)c1[C@@H](Br)C1(Br)CC1 1899503392 OPSREKJLCLATCF-SECBINFHSA-N 455.774 6.259 50 10 JKGE Cc1c(Br)sc([C@@H](Cl)c2ccc(Br)cc2)c1Br 1922932943 QLASIZBMAFYVKV-JTQLQIEISA-N 459.428 6.672 50 10 JKGE Fc1c(Br)cccc1[C@H](Cl)c1sc(Br)cc1Br 1922937721 BOEFNZJDPZZTDZ-VIFPVBQESA-N 463.391 6.503 50 10 JKGE Cc1ccc([C@@H](Cl)c2sc(Br)cc2Br)cc1Br 1922942119 QIJPYOKRBASOJT-LLVKDONJSA-N 459.428 6.672 50 10 JKGE CC(C)C[C@H](C(C)C)[C@H](Br)c1c(Br)sc(Br)c1Cl 1923066152 MHTWXYKIYHDZFU-SCZZXKLOSA-N 481.519 7.681 50 10 JKGE COc1cccc(Br)c1[C@H](Br)[C@@H](C)c1ccncc1Br 1924064157 AHTOBINYIYIMFN-BJOHPYRUSA-N 463.995 5.855 50 10 JKGE Clc1sc(Cl)c([C@@H](Br)c2sccc2I)c1Cl 1925573096 KHFYWSPGCKZOCW-RXMQYKEDSA-N 488.424 6.859 50 10 JKGE CC12COC([C@@H](Br)c3c(Br)sc(Br)c3Cl)(C1)C2 2025089184 QIPZFBBUBQXSAW-ARTQYDKTSA-N 465.432 5.932 50 10 JKGE CCCc1ccc([C@H](Br)c2csc(Br)c2Br)cc1 2032959243 XXSIOIZBIOBVQW-LBPRGKRZSA-N 453.037 6.710 50 10 JKGE Cc1c(Cl)cc([C@H](Br)c2ccc(Br)cc2)cc1Br 2048504250 URNMEWXKWZUJMN-CQSZACIVSA-N 453.399 6.658 50 10 JKGE Cc1cc(Cl)c(Br)cc1[C@@H](Br)c1c(Br)cnn1C 2082382844 RWABJHIWCIIQHA-LLVKDONJSA-N 457.391 5.391 50 10 JKGE O=C(c1csc(Br)c1Br)N1CC2(CC[C@H]1CBr)CC2 2097881699 XPDGBOJPHXAXPS-QMMMGPOBSA-N 472.040 5.053 50 10 JKGE Fc1ccc(CC[C@@H](Br)c2ccc(Br)cc2)c(Br)c1 2113492275 ZCLGCHJNQJCBCE-CQSZACIVSA-N 450.971 6.420 50 10 JKGE C[C@H](CCCCCI)NC(=O)c1cccc(Br)c1Cl 2117891858 BDEIEPJVYDDWPE-SNVBAGLBSA-N 458.565 5.216 50 10 JKGE Brc1ccc(Br)c(CN2CC[C@@H]3C[C@H](Br)CC[C@H]32)c1 2118524081 FPCJUPOJNQSIRB-WDBKCZKBSA-N 452.028 5.350 50 10 JKGE CCCC(CBr)(CCC)Cn1c(C(C)C)nc(Br)c1Br 2143941564 QVNUXGBQBQCFAF-UHFFFAOYSA-N 473.091 6.513 50 10 JKGE CC[C@H](Cl)[C@@H]1CCCCN1C(=O)c1ccc(I)c(Br)c1 2170598978 BQPLGYHHIRLSBN-JSGCOSHPSA-N 470.576 5.066 50 10 JKGE Clc1sc(Br)c(Cl)c1[C@H](Br)[C@H]1C[C@H]1C1CCCCCC1 2199988020 KCZSVXGQFPSERF-JBLDHEPKSA-N 461.090 7.860 50 10 JKGE FCC12CC(COc3c(Br)cc(Br)cc3CBr)(CO1)C2 2202753768 IUROIPTWOLUOON-UHFFFAOYSA-N 472.974 5.004 50 10 JKGE CCc1nc([C@H](Cl)c2cc(Br)cc(Cl)c2OC)c(Br)s1 2203006210 CQJQNVOXQMSKOY-SNVBAGLBSA-N 460.018 6.221 50 10 JKGE Cc1c(Br)ccc([C@H](Br)c2cc3c(s2)CCOC3)c1Br 2203706492 RFZFGAQOFXQBQA-HNNXBMFYSA-N 481.047 6.139 50 10 JKGE COc1c(Br)cc(C)cc1[C@@H](Br)c1ccc(Cl)c(Br)c1 2203830997 ZMRIEBLIIQVPSU-AWEZNQCLSA-N 483.425 6.666 50 10 JKGE Fc1ccc(CO[C@H](CI)c2ccccc2F)c(Br)c1 2206263982 DAASOCFKJVCIDA-OAHLLOKOSA-N 453.064 5.420 50 10 JKGE Cc1c(Br)sc([C@H](Br)c2cccc(Br)c2F)c1C 2218790376 LLLAKXANENSHJC-SNVBAGLBSA-N 457.000 6.513 50 10 JKGE Cc1cc(C)c([C@@H](Br)c2ccc(Br)c(C)c2Br)s1 2218862761 JBMCOCYMGRRGNU-ZDUSSCGKSA-N 453.037 6.683 50 10 JKGE Cc1sc([C@@H](Br)Cc2ncccc2Br)c(Br)c1C 2221827138 UBHUNPFUROPGRZ-JTQLQIEISA-N 454.025 5.964 50 10 JKGE CC1(C)CCN(Cc2ccccc2)CCN1c1ccc(CBr)c(Br)c1 2223455127 ZWJSESIXCVFTNK-UHFFFAOYSA-N 466.261 5.835 50 10 JKGE Fc1cc(Br)c(Br)cc1[C@H](Cl)c1ccc(Br)c(Cl)c1 2225633839 LRWPOZNOIXDPEL-CYBMUJFWSA-N 491.807 7.095 50 10 JKGE CC1(C)CC(C)(COc2c(Br)cc(CBr)cc2Br)C1 2228293457 ILNNIKPPCXZYLW-UHFFFAOYSA-N 455.028 6.312 50 10 JKGE Fc1cc(Br)c(Br)cc1[C@H](Br)[C@@H]1CC[C@@]2(C1)CC2(F)F 2233976994 RXDDSZDPIIZLLF-KEMBBXRSSA-N 476.956 6.612 50 10 JKGE Cc1cc(Br)c([C@H](Cl)c2ccc(Cl)c(Cl)c2)c(C)c1Br 2235603542 JTGGOCXRMPTHDY-OAHLLOKOSA-N 457.420 7.463 50 10 JKGE Cc1cc(Br)c([C@@H](Br)c2ccc(F)cc2F)c(C)c1Br 2235603571 JXSMCTDBSPTLJR-HNNXBMFYSA-N 468.961 6.591 50 10 JKGE COc1ccc([C@@H](Br)c2cc(F)c(Br)cc2F)c(Br)c1 2240809803 IFMGSPBJPBCGNL-CQSZACIVSA-N 470.933 5.983 50 10 JKGE COc1cc(Cl)c(Cl)cc1[C@@H](Br)c1cc(I)sn1 2253420875 ZFUUPOATDNOOHV-LLVKDONJSA-N 478.964 5.547 50 10 JKGE CC1CC2(C1)CC([C@H](Br)c1c(Br)sc(Br)c1Cl)C2 2259480233 GWQXDMWLPYUEFV-RDTMWIIESA-N 477.487 7.189 50 10 JKGE Fc1cccc(Br)c1COc1cccc(CBr)c1Br 2273848779 HVILAJXTHPWSIZ-UHFFFAOYSA-N 452.943 5.825 50 10 JKGE COC1([C@H](Br)Cc2cc(Br)cc(Br)c2)CC(CF)C1 2277955976 OENMABYWVHWJLN-IWXRYERYSA-N 458.991 5.282 50 10 JKGE Brc1cc2sc([C@@H](Br)Cc3ccccc3Br)cc2s1 2278021715 BMJONZGJTQLCMI-JTQLQIEISA-N 481.072 7.167 50 10 JKGE COc1cc(C)c(Br)c(C)c1[C@@H](Br)c1cccc(Br)c1 2285091570 OXKNLIAZBRQWBP-INIZCTEOSA-N 463.007 6.321 50 10 JKGE CCc1ccc(-c2n[nH]cc2C=C(C#N)C(=O)Nc2sc(-c3ccccc3)cc2C(=O)OC)cc1 2295669892 GWMTVPWJXKVAMR-UHFFFAOYSA-N 482.565 5.700 50 10 JKGE CCCCCCOC(=O)c1ccccc1NC=C(C#N)c1nc(-c2ccc(OC)c(OC)c2)cs1 2295945658 KZYDPKBEIZYKJD-UHFFFAOYSA-N 491.613 6.541 50 10 JKGE CC(C)(C)c1ccc(-c2nnc(SCC(=O)NN=CC=Cc3ccco3)n2-c2ccccc2)cc1 2297304492 LKQMEKAAQKIWPY-UHFFFAOYSA-N 485.613 5.732 50 10 JKGE Brc1ccc(OCc2ccccc2)c([C@H](Br)C[C@@H]2CC[C@H]3C[C@@H]32)c1 2299531491 WNGKYMSEXDDVNQ-ZTTFOMCMSA-N 450.214 6.900 50 10 JKGE Fc1c(Br)cc(Cl)c([C@H](Cl)C2CC(Br)C2)c1Br 2300171214 YARHJHUUQYFHQY-HADCPYMZSA-N 469.801 6.458 50 10 JKGE Cc1nc(Br)c([C@@H](Br)c2sc(Cl)cc2Br)n1C 2300294211 ONNWJGONWUIXQK-SSDOTTSWSA-N 463.420 5.453 50 10 JKGE Cc1cc(C=C(C#N)C(=O)Nc2cccc(Cl)c2Cl)c(C)n1-c1ccc(C(C)(C)C)cc1 2313571005 LDPXAIKTQIBGNB-UHFFFAOYSA-N 466.412 7.244 50 10 JKGE N#CC(=Cc1cc([N+](=O)[O-])ccc1OCC(=O)Nc1ccccc1)C(=O)Nc1ccc2ccccc2c1 2314488617 LPQHSFDLZCDUNC-UHFFFAOYSA-N 492.491 5.311 50 10 JKGE N#CC(=Cc1ccc(-c2ccc(F)cc2)o1)c1nc(-c2ccc(Br)cc2)cs1 2314572306 YEONAUWYYQTRTJ-UHFFFAOYSA-N 451.320 7.036 50 10 JKGE CCCCCCCOc1ccc(C=C2C(=O)N(CCc3ccc(OC)cc3)C(=O)C(C#N)=C2C)cc1 2314620738 UDCLUHUIIYYPJV-UHFFFAOYSA-N 486.612 5.879 50 10 JKGE COc1cccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)C=Cc4ccc(Cl)cc4Cl)ccc32)c1 2314634297 YXESJJQERYVQGV-RUZDIDTESA-N 493.346 5.839 50 10 JKGE CCOc1ccc([C@H](Br)c2sc(Cl)cc2I)cc1 2316598989 KQSZMQINFMBJEW-LBPRGKRZSA-N 457.558 5.889 50 10 JKGE N#CC(=Cc1ccc(OC(=O)CC(c2ccccc2)c2ccccc2)cc1)c1ccc(Cl)cc1 2320506384 IJPICIDNRCMKJV-UHFFFAOYSA-N 463.964 7.532 50 10 JKGE CC(C)c1cccc([C@@H](Br)c2sc(Cl)cc2I)c1 2320568023 VOUAWOLGLRYBTR-CYBMUJFWSA-N 455.586 6.614 50 10 JKGE COc1ccc(-c2csc(C(C#N)=C(O)CCCOc3cc(C)c(Cl)c(C)c3)n2)cc1OC 2331242631 VUNHOVFFCQJWOD-UHFFFAOYSA-N 485.005 6.749 50 10 JKGE COc1cc(C)c(-c2csc(C(C#N)=C(O)c3cc(Cl)ccc3Cl)n2)cc1C(C)C 2331356106 OHRSEWRKPYCLFC-UHFFFAOYSA-N 459.398 7.507 50 10 JKGE Cc1cc(C)c(C)c(-c2csc(C(C#N)=C(O)c3ccc(N4CCOCC4)c([N+](=O)[O-])c3)n2)c1C 2331366273 IGBJARVHURWJPL-UHFFFAOYSA-N 490.585 5.738 50 10 JKGE CC(C)(C)c1ccc(-c2csc(C(C#N)=Cc3ccc(OC(=O)c4ccccc4)cc3)n2)cc1 2331453615 MHOQPDJZKQWDDQ-UHFFFAOYSA-N 464.590 7.391 50 10 JKGE Cc1cc(Br)c(F)c(Br)c1[C@@H](Br)C1(C)CCCCC1 2339676001 UKUGIOSYEUPKKY-CQSZACIVSA-N 457.019 7.066 50 10 JKGE Brc1ccc(OCc2ccccc2)c([C@H](Br)[C@@H]2CCC[C@@H]3CCCC[C@H]32)c1 2361193810 CNCWTYZJEQLAEA-RPLOAYLJSA-N 492.295 8.071 50 10 JKGE COc1cc([C@@H](Cl)c2cc(Br)c(Br)s2)c(OC)cc1Cl 2363541494 JIWWZLWYGIMVSM-GFCCVEGCSA-N 461.002 6.272 50 10 JKGE Cc1cc(Br)c(F)c(Br)c1[C@@H](Br)[C@H]1CCCCC12CC2 2365193180 ZHDSLZQUHJLJHT-MFKMUULPSA-N 469.030 7.066 50 10 JKGE COc1c(Br)cc(C)c([C@@H](Br)[C@H]2C[C@@H]3C[C@@H]3CO2)c1Br 2365193675 JYJVIRXAPGAMEW-JQEKQURRSA-N 469.011 5.390 50 10 JKGE FC(F)(F)[C@]1(CBr)CCN(Cc2ccc(Cl)cc2I)C1 2366698600 FQZAJRFXWHQCGA-LBPRGKRZSA-N 482.509 5.094 50 10 JKGE CC[C@@](CBr)(Cc1ccc(Cl)cc1I)c1ccccc1 2366716920 ZKELXGSKIAPUOL-KRWDZBQOSA-N 463.584 6.230 50 10 JKGE C=CCC1(CBr)CCN(Cc2ccc(Cl)cc2I)CC1 2366727575 YGUKIYBRNGMJHU-UHFFFAOYSA-N 468.604 5.498 50 10 JKGE O=C(c1cc(Br)c(Br)s1)N1C[C@H]2CC(CBr)C[C@@H](C2)C1 2368386934 CGYZNTMEDNUJLS-UWVGGRQHSA-N 486.067 5.156 50 10 JKGE CC(C)(C)OC(=O)N1CCCCN(C[C@](C)(CBr)C(C)(C)C)CC(F)(F)C1 2380178585 CCQGQBHAYPDVCH-IBGZPJMESA-N 455.428 5.402 50 10 JKGE ClC[C@@H](Cc1cccc(Br)c1)Cc1cc(I)ccc1Cl 2380531303 NLFHVVCLCRVUFB-LBPRGKRZSA-N 484.002 6.347 50 10 JKGE C=CCOc1ccc(C(=O)NNC(=O)c2cc(Br)ccc2OCCCCCC)cc1 14648365 PPWFHEDKAQYBMA-UHFFFAOYSA-N 475.383 5.048 50 10 JKGE CCOc1ccccc1NC(=O)/C(C#N)=C/c1cn(Cc2ccccc2)nc1-c1cccs1 16437724 YRPNJCACXSQXJH-HMMYKYKNSA-N 454.555 5.604 50 10 JKGE Cc1ccc(N2C(=O)[C@H](Cc3ccccc3C)S/C2=C(\C#N)C(=O)NCCc2ccccc2)cc1 16739730 GMJHNVDUONCVFY-OAUQLRMZSA-N 481.621 5.089 50 10 JKGE CCSc1sccc1[C@H]1C(C#N)=C(N)N(c2cc([N+](=O)[O-])ccc2C)C2=C1C(=O)CC(C)(C)C2 27550611 HRDHPCBHCCRPLE-NRFANRHFSA-N 494.642 6.018 50 10 JKGE Cc1ccc(C[C@@H]2S/C(=C(\C#N)C(=O)Nc3ccc(C)cc3)N(c3ccc(F)cc3)C2=O)cc1 33579567 NSKPGYGQXXWQPY-BSSRNLCFSA-N 471.557 5.508 50 10 JKGE N#C/C(=C/c1ccc(OC(=O)c2ccc(Br)s2)cc1)c1nc2ccccc2s1 33643230 BCRQKHAIWHFQCP-KAMYIIQDSA-N 467.369 6.404 50 10 JKGE CCCOc1cccc(C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@H]3c2ccccc2OCCC)c1 38681737 WVXPBYRLQLRUQB-MHZLTWQESA-N 484.552 5.702 50 10 JKGE Cc1ccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4oc5ccc(Cl)cc5c4C)ccc32)o1 38688683 MIDDCPGQFUCCBL-JOCHJYFZSA-N 460.873 5.733 50 10 JKGE COc1ccc(/C=C(\C#N)c2nc(-c3ccc(Br)cc3)cs2)cc1Br 39794899 WXRPPJXDLDWMKX-RIYZIHGNSA-N 476.193 6.408 50 10 JKGE CC1=C(C#N)C(=O)N(C2CCCC2)C(=O)/C1=C/c1cn(-c2ccccc2)nc1-c1ccc(C)c(F)c1 40514548 PEJUBEIWTFMYOI-ZVHZXABRSA-N 480.543 5.522 50 10 JKGE Cc1cc(OCC(=O)N/N=C/c2cc(Br)ccc2OCc2ccccc2)ccc1Cl 40912328 JNLREKMQAOMXBH-LGJNPRDNSA-N 487.781 5.519 50 10 JKGE Fc1cc(Br)cc([C@H](Br)c2cc(F)c(Br)cc2F)c1 70474577 WYVSMGRVCFHAJQ-ZDUSSCGKSA-N 458.897 6.113 50 10 JKGE CC(C)[C@H](CBr)COc1c(I)cc(Cl)c2cccnc12 96871139 USOYRBFWFNADQQ-SNVBAGLBSA-N 468.560 5.539 50 10 JKGE CCCCCCCCOc1ccc(/C=C2/C(=O)N(CCCC)C(=S)N(CCCCl)C2=O)cc1 100168074 VSPCOSGETBERFP-ATJXCDBQSA-N 493.113 6.194 50 10 JKGE CCOc1ccccc1N/C(SCc1ccccc1C)=C(\C#N)C(=O)NCc1cccs1 105422641 DGBALNOYNRDJIC-DAFNUICNSA-N 463.628 5.852 50 10 JKGE O=C(N/N=C/c1ccc(-c2cccc(C(F)(F)F)c2)o1)C(F)(F)C(F)(F)C(F)(F)F 109702721 SLVLGQKMPGOVMA-OAHLVZFQSA-N 450.232 5.248 50 10 JKGE CCCCc1ccc([C@@H](Br)c2cc(Br)ccc2Br)cc1 161084551 BFONFUJMHLIMSU-QGZVFWFLSA-N 461.035 7.039 50 10 JKGE C[C@@H](Br)c1ccccc1NC(=O)c1cc(Br)ccc1Br 161225832 JZIAQLKFTIKNIE-SECBINFHSA-N 461.979 5.920 50 10 JKGE Nc1ccc(C(=O)N/N=C\c2ccc(-n3nc(-c4ccccc4)cc3-c3ccccc3)cc2)cc1 169900414 IZERTFHMCNHCTL-GTWSWNCMSA-N 457.537 5.552 50 10 JKGE O=[P@@](c1ccccc1)(c1ccc(Br)cc1)[C@H]1OB(c2ccccc2)Oc2ccccc21 195832468 POJGFQSULLRNFK-NJHZRGNWSA-N 489.114 5.266 50 10 JKGE CCOc1cc(/C=C2\C(=O)N(C3CCCCC3)C(=O)C(C#N)=C2C)ccc1OCc1ccccc1 214367272 GXWLSFNPTVJOMW-JLPGSUDCSA-N 470.569 5.589 50 10 JKGE CCCOc1ccc([C@@H](Br)Cc2ccc(Br)cc2)cc1Br 229008834 DMNHVNHHIWTTAF-HNNXBMFYSA-N 477.034 6.679 50 10 JKGE Brc1ccc(C[C@@H](Br)c2ccc(Br)cc2Br)cc1 232476342 LYYKIDAYTLVXJV-CYBMUJFWSA-N 497.850 6.653 50 10 JKGE O=C(c1cc(Br)sc1Br)N(CCCBr)C1CCC1 232482247 ABWDDVNFOUIKAL-UHFFFAOYSA-N 460.029 5.053 50 10 JKGE Cc1cc([C@@H](Br)c2cc(Br)cc(Br)c2)cc(C)c1F 235862028 OYXQRNNRZKAEFJ-CQSZACIVSA-N 450.971 6.452 50 10 JKGE CCOc1ccc(C(=O)Oc2ccc(C=NNC(=O)COc3cc(C(C)C)ccc3C)cc2)cc1 254404076 MSSQIVGHPNRQAF-UHFFFAOYSA-N 474.557 5.265 50 10 JKGE C/C(C=NNC(=O)c1cc(-c2ccc(OCc3ccc(C)cc3)cc2)n[nH]1)=C\c1ccccc1 254570237 CWWLFPQIIRORMW-UFVWTHEFSA-N 450.542 5.783 50 10 JKGE CCC(C)(C)c1ccc(OCCCC(=O)NN=Cc2ccccc2C(F)(F)F)c(C(C)(C)CC)c1 254749313 NHBMCCLBEVBBRP-UHFFFAOYSA-N 490.610 7.390 50 10 JKGE CCc1ccc(-c2n[nH]cc2C=NNC(=O)c2sc3cccc(Br)c3c2Cl)cc1 254806418 QXCRUTZENIROGE-UHFFFAOYSA-N 487.810 6.034 50 10 JKGE Cl[C@H](c1ccc(OCc2ccccc2)cc1)c1cc(Br)c(Br)s1 309829574 FXMWUDSAHDATTL-QGZVFWFLSA-N 472.629 7.180 50 10 JKGE C[C@@H](Cl)c1nc2cccnc2n1-c1cc(I)ccc1Br 312642804 TWKFBRGNHLRBBK-MRVPVSSYSA-N 462.516 5.087 50 10 JKGE C[C@H](Cl)c1nc2ccncc2n1-c1cc(I)ccc1Br 312965596 JXVLQBYDTADNIH-QMMMGPOBSA-N 462.516 5.087 50 10 JKGE C[C@@H](COc1c(Br)cc(Br)cc1CBr)c1ccccc1 384338471 WQWQHWLMEXZZLX-NSHDSACASA-N 463.007 6.289 50 10 JKGE ClCc1nc2cc(I)ccc2n1C1C[C@@H]2CC[C@H](C1)N2Cc1ccccc1 390549734 PGJVSZJFZCLZGG-DFNIBXOVSA-N 491.804 5.748 50 10 JKGE CC(C)(C)[Si](C)(C)OCc1ccc([C@@H]2CN(S(=O)(=O)c3ccccc3)c3ccccc3N2)cc1 616585172 WJYWMNASEYTACD-VWLOTQADSA-N 494.733 6.571 50 10 JKGE CC(C)(C)OC(=O)NCCN1CCO[C@H](c2cccc(CCO[Si](C)(C)C(C)(C)C)c2)CC1 616594756 QRIMICRRCICURR-QHCPKHFHSA-N 478.750 5.539 50 10 JKGE Fc1cc([C@@H](Br)c2ccc(F)c(Br)c2F)ccc1Br 691633441 DXYQYSAZOHWDPW-LLVKDONJSA-N 458.897 6.113 50 10 JKGE C[C@@H]1CC[C@](C)([C@H](Br)c2cc(Br)sc2Br)C1(C)C 699054967 YDSPAEMSVXTZMZ-XPLICSAQSA-N 459.085 7.172 50 10 JKGE Fc1cc2nc(CCCl)n(CC3(N(Cc4ccccc4)Cc4ccccc4)COC3)c2cc1F 705604907 ODUSMYVXLCJNCP-UHFFFAOYSA-N 481.974 5.567 50 10 JKGE Clc1cc(Br)ccc1COc1cccc(Br)c1CBr 706820122 RDPGNONZMNUOMQ-UHFFFAOYSA-N 469.398 6.339 50 10 JKGE C[C@H](Cl)c1nc2ccc(F)c(Br)c2n1CC(C)(C)N(C)Cc1ccccc1 714233843 VHZAEYHYWJLPFB-AWEZNQCLSA-N 452.799 6.148 50 10 JKGE Cc1cc(Br)c([C@@H](Br)C[C@@H]2CC(C)(C)CO2)cc1Br 717120679 GBTVHNMUCXKQGR-YGRLFVJLSA-N 455.028 6.161 50 10 JKGE C[C@@H]1Cc2cc(Br)cc([C@@H](Br)c3ccccc3OCc3ccccc3)c2O1 720037583 BSFFQPIJOFQELC-QRQCRPRQSA-N 488.219 6.836 50 10 JKGE O=[N+]([O-])c1ccc(C[C@@H](Cl)c2ccc(I)c(Br)c2)cc1 721571338 GFBPPEAYHQQCAK-CYBMUJFWSA-N 466.500 5.485 50 10 JKGE CCOc1ccc([C@H](O)CCC(=O)NN=Cc2c(C)n(Cc3ccccc3F)c3ccccc23)cc1 725387033 XNRBROGILWBUMP-MUUNZHRXSA-N 487.575 5.500 50 10 JKGE O=C(OCc1ccccc1)N1C[C@@H](CBr)[C@@H](c2ccc(OC(F)(F)F)cc2)C1 725418453 ZJLGFFCFQARJAZ-SJLPKXTDSA-N 458.274 5.332 50 10 JKGE COc1cc(Br)c(/C=C(/C#N)C(=O)Nc2ccc(Cl)c(Cl)c2)cc1OC 1083997455 GHKOZGRBBYDGIF-WZUFQYTHSA-N 456.123 5.319 50 10 JKGE CC(/C=C/c1ccc2c(c1)OCO2)=NNC(=O)COc1ccc(C(C)(C)CC(C)(C)C)cc1[N+](=O)[O-] 1565517515 HVNMALVLXZRVGD-VAKSWQMJSA-N 495.576 5.622 50 10 JKGE Cc1c(C(=O)Nc2cccc(C(F)(F)F)c2)oc2c1C(=NNC(=O)c1ccccc1F)CCC2 1772743537 BHDAVWILHNIXTH-UHFFFAOYSA-N 473.426 5.469 50 10 JKGE N#CC1=C(N)Oc2c(c(-c3ccccc3)nn2-c2cccc3ccccc23)[C@H]1c1cccc2ccccc12 1865682071 FCHYHSVGSKLMFQ-LJAQVGFWSA-N 490.566 7.064 50 10 JKGE COc1ccc(-c2nn(C)c3c2[C@H](c2ccccc2OCc2ccc(Cl)cc2)C(C#N)=C(N)O3)cc1 1865703823 GKMWWGIDCSFEBS-XMMPIXPASA-N 498.970 5.546 50 10 JKGE CCc1nn(Cc2ccc(Cl)c(Cl)c2)c2c1[C@H](c1ccccc1OC(C)C)C(C#N)=C(N)O2 1865704686 BXKZVLRSXXOQLM-JOCHJYFZSA-N 483.399 5.806 50 10 JKGE Cc1ccc(-n2nc(-c3ccccc3)c3c2OC(N)=C(C#N)[C@@H]3c2ccc(Cl)c([N+](=O)[O-])c2)cc1 1865706367 UZAONAOIHSMNFO-QFIPXVFZSA-N 483.915 5.628 50 10 JKGE COc1ccc(-c2nn(-c3ccccc3Cl)c3c2[C@H](c2cccc([N+](=O)[O-])c2)C(C#N)=C(N)O3)cc1 1865706564 ZKRGBTCJUWQWKS-JOCHJYFZSA-N 499.914 5.328 50 10 JKGE CCCc1nn(-c2ccc(Cl)c(Cl)c2)c2c1[C@@H](c1ccccc1[N+](=O)[O-])C(C#N)=C(N)O2 1865710290 UBBHZFQMFLDXNY-IBGZPJMESA-N 470.316 5.258 50 10 JKGE COCCOc1ccc(/C=C(\C#N)C(=O)Nc2ccc(OCc3ccc(Cl)cc3)cc2)cc1 1866214153 UGBUZDDSJHQPBT-LTGZKZEYSA-N 462.933 5.490 50 10 JKGE N#CSc1ccc(NC(=O)[C@@H](NC(=O)CCc2csc(-c3ccncc3)n2)c2ccccc2)cc1 1867062949 ITYNPOPXFARHTL-DEOSSOPVSA-N 499.621 5.207 50 10 JKGE COc1ccc2c(c1)CCN(c1cc(Nc3ccc(SC#N)cc3)nc(-c3ccc(C)cc3)n1)[C@H]2C 1868321081 UKGBAWHQYJSFNT-FQEVSTJZSA-N 493.636 6.901 50 10 JKGE CCCCc1ccc(-c2csc(/C(C#N)=C(\O)[C@@H]3CC(=O)N(c4c(CC)cccc4CC)C3)n2)cc1 1872744710 FGOVKWMIPZAQPV-DDXGQXFKSA-N 499.680 7.123 50 10 JKGE CC(C)CN1C(=O)c2ccc(/C(O)=C(\C#N)c3nc(-c4ccc(Cl)c(Cl)c4)cs3)cc2C1=O 1872748739 LZLQGAADGVWIGJ-FXBPSFAMSA-N 498.391 6.319 50 10 JKGE COc1c(Cl)cc(Cl)cc1-c1csc(/C(C#N)=C(\O)COc2c(C)ccc(C)c2C)n1 1872754128 DPJYYZDBQCHVTK-JZJYNLBNSA-N 475.397 6.922 50 10 JKGE CCOc1ccc(-c2csc(/C(C#N)=C(\O)COc3cc(Cl)ccc3Cl)n2)c(OCC)c1 1872755188 CGAPKIPIYWUNFX-JZJYNLBNSA-N 491.396 6.786 50 10 JKGE CCc1ccc(OCCC/C(O)=C(\C#N)c2nc(-c3cc(Cl)c(OC)cc3OC)cs2)cc1 1872756353 IHMYHYLEPYXNCN-QOCHGBHMSA-N 485.005 6.695 50 10 JKGE COC(=O)c1ccccc1N1C[C@H](/C(O)=C(\C#N)c2nc(-c3c(C)cc(C)cc3C)cs2)CC1=O 1872757279 YJCSMCOEZZZUER-OFGUMHRGSA-N 487.581 5.368 50 10 JKGE Cc1ccccc1COc1ccc(/C=C(\C#N)c2nc(-c3ccc4ccccc4c3)cs2)cc1 1872782339 FPQGCQSOZKQFCR-JVWAILMASA-N 458.586 7.915 50 10 JKGE CCOc1cc(/C=C(\C#N)c2nc(-c3ccc(F)c(C)c3)cs2)ccc1OCc1ccc(C)cc1 1872790966 OBQNSLYHUPGDRY-ZVHZXABRSA-N 484.596 7.608 50 10 JKGE Cc1ccc(-c2csc(/C(C#N)=C/c3ccc(OCc4ccc(Cl)cc4Cl)cc3)n2)cc1C 1872793608 JYYYGWLIKYPCCH-WSDLNYQXSA-N 491.443 8.377 50 10 JKGE C[C@H](Oc1ccc(Cl)cc1Cl)/C(O)=C(\C#N)c1nc(-c2ccc(F)cc2F)cs1 1872818222 SMHFQKCYPIXXRN-NSYNCBPISA-N 453.297 6.655 50 10 JKGE C[C@H](Cl)c1nc2c(Br)cc(F)cc2n1C1CC(COCc2ccccc2)C1 1912669887 NSLIPWGPRRTRHF-KTAKPFMOSA-N 451.767 6.406 50 10 JKGE ClC[C@H](C1CC1)N(Cc1ccccc1)Cc1ccc(Br)cc1Br 1915164162 GQBHDIWBEBRBJF-LJQANCHMSA-N 457.637 6.231 50 10 JKGE CC1(C)C[C@H](N(Cc2ccccc2)c2cccc(Br)c2CBr)CO1 1915492048 STZAJJLIEKBIAS-INIZCTEOSA-N 453.218 5.918 50 10 JKGE Cc1cc(C)cc([C@H](Br)c2sc(Br)c(C)c2Br)c1 1922946001 MMBOONHOOZFCRB-LBPRGKRZSA-N 453.037 6.683 50 10 JKGE Cc1ccc(F)c([C@H](Br)c2sc(Br)cc2Br)c1F 1922946176 OQGOIYVWNVRKFH-JTQLQIEISA-N 460.963 6.344 50 10 JKGE C[C@H](c1ccncc1Br)[C@H](Br)c1cccc(F)c1Br 1924037715 BITFERLOWULKJC-OQPBUACISA-N 451.959 5.985 50 10 JKGE Cc1cc([C@@H](Br)c2c(Cl)sc(Br)c2Cl)oc1Br 1925565546 DOWOQKPTNMUYFC-ZCFIWIBFSA-N 483.834 6.966 50 10 JKGE Cc1ccnc(COc2c(Br)cc(Cl)cc2CBr)c1Br 1927025426 IZRVGWVTRSDEKC-UHFFFAOYSA-N 484.413 6.042 50 10 JKGE Cc1csc([C@@H](Cl)c2sc(Br)c(C)c2Br)c1Br 1950881524 GVTAPWPEJSNORE-MRVPVSSYSA-N 479.484 7.042 50 10 JKGE Brc1ccc(Br)c(CC[C@@H](Br)COCc2ccccc2)c1 1957336876 QITKRAXQPMDTRR-MRXNPFEDSA-N 477.034 6.125 50 10 JKGE Cc1cc(Br)c([C@H](Cl)c2cc(Br)sc2C)cc1Br 2034561633 KXDLLDANPJKFII-CYBMUJFWSA-N 473.455 6.981 50 10 JKGE Cc1csc([C@H](Br)c2ccc(F)c(Br)c2F)c1Br 2039333247 YLTWRKCZSOGMAD-SECBINFHSA-N 460.963 6.344 50 10 JKGE Cc1ccc(-n2c(SCC(=O)C(C#N)=C3Nc4ccccc4S3)nc3ccccc3c2=O)cc1 2040422336 SLPQKBYZALMTKJ-UHFFFAOYSA-N 482.590 5.308 50 10 JKGE CO[C@@H]1CCC[C@@H]([C@H](Br)c2sc(Br)c(C)c2Br)C1 2062719986 ZUAWOZINFGSSDX-KKZNHRDASA-N 461.057 6.223 50 10 JKGE Fc1cc(Br)c([C@H](Br)c2nscc2Br)c(F)c1Cl 2081838588 MVBURERDNWQLQF-ZETCQYMHSA-N 482.369 6.084 50 10 JKGE Cc1sc(Br)c([C@@H](Br)c2ccc(F)cc2Br)c1C 2082884407 LAVYTBIXIORSFC-LBPRGKRZSA-N 457.000 6.513 50 10 JKGE C[C@H]1CCCN(Cc2c(Br)cccc2Br)[C@H]1CCBr 2094088486 LPSHOLVJZCYITQ-NHYWBVRUSA-N 454.044 5.597 50 10 JKGE CC(C)(C)N1C[C@H](Cc2cccc(Br)c2Br)[C@@H](Br)C1 2100730863 NHSQBHQWUQCUCC-AAEUAGOBSA-N 454.044 5.248 50 10 JKGE BrC[C@@H]1C[C@@H]2CC[C@H](C1)N2Cc1ccc(Br)cc1Br 2128152173 PMOYABLBNPTSBP-ZOZIMZAQSA-N 452.028 5.350 50 10 JKGE Clc1cc(COc2ccc(CBr)cc2Cl)ccc1I 2142947660 UMHSPWQCTXCGOQ-UHFFFAOYSA-N 471.947 6.072 50 10 JKGE COC1CC2(C1)CC([C@H](Br)c1cc(Br)c(C)cc1Br)C2 2156574775 NFBFBBYNJKVSMU-SQGCJCFSSA-N 467.039 6.161 50 10 JKGE CC(C)(C)OC(=O)N[C@@H]1CN(CC2(CBr)CCCCCC2)C[C@H]1C(F)(F)F 2163057682 DFFLVZCLWCGUKX-HUUCEWRRSA-N 457.375 5.109 50 10 JKGE CC(C)(C)OC(=O)NCC[C@@H](N(C[C@@H](CBr)C1CCC1)C1CC1)C(F)(F)F 2163065372 ZPXOWGLZLJMJIN-GDBMZVCRSA-N 457.375 5.108 50 10 JKGE CN(C(=O)c1cc(Br)c(Br)s1)C1(CBr)CC2(CCC2)C1 2164569515 VKFRFSMYBRZOAD-UHFFFAOYSA-N 486.067 5.443 50 10 JKGE CCOc1cc(Cl)c([C@@H](Br)c2nc(C)sc2Br)cc1Cl 2169497542 ZIOXXAMEVRZDQP-LLVKDONJSA-N 460.018 6.404 50 10 JKGE CC1(C)CC([C@H](Br)c2cc(Br)ccc2Br)CC(C)(C)C1 2193418884 GONDIRRDKGNUAM-HNNXBMFYSA-N 467.083 7.500 50 10 JKGE O=C(c1scc(Br)c1Br)N1CCCC12CCC(Br)CC2 2202256212 HPXHZMQQEJSIHN-UHFFFAOYSA-N 486.067 5.585 50 10 JKGE COc1cc(F)c([C@@H](Cl)c2cc(Br)ccc2Br)cc1Br 2202901713 GKLVZDHTCRZYPH-AWEZNQCLSA-N 487.388 6.450 50 10 JKGE Clc1cc(C[C@H]2CCc3ccccc3[C@@H]2Br)ccc1I 2208047379 YMXRRNLCNYKKPH-CXAGYDPISA-N 461.568 6.186 50 10 JKGE Clc1cc(Br)c([C@@H](Cl)c2ccsc2Br)c(Cl)c1Cl 2217610234 HIBJQRXIFFEQNK-QMMMGPOBSA-N 469.840 7.562 50 10 JKGE Cc1sc([C@H](Br)Cc2cccc(Br)c2)c(Br)c1C 2221843142 HQCIVWUAMOSNEF-GFCCVEGCSA-N 453.037 6.569 50 10 JKGE CC[C@@H](C[C@H](Br)c1cc(Br)c(Br)cc1F)C(C)(C)C 2225615918 AZMMKCVXDGGVOT-ONGXEEELSA-N 459.035 7.249 50 10 JKGE CCN[C@@H](c1c(Br)cc(C)c(Br)c1C)[C@H]1C[C@H](Br)C1 2227346402 CVBKZMTZERMUNK-UEKVPHQBSA-N 454.044 5.653 50 10 JKGE CCOCc1cc(Br)c([C@H](Cl)c2cc(C)ccc2I)s1 2241000224 GIPACMLPXLETAV-CQSZACIVSA-N 485.612 6.288 50 10 JKGE COc1ccc([C@H](Cl)c2ccc(I)cc2)cc1I 2257370332 REKXZIWXVIMTMD-CQSZACIVSA-N 484.502 5.233 50 10 JKGE Clc1ccc([C@@H](Br)c2ccc(C3CCC3)s2)cc1I 2271971543 IXQLYUCQPAVAKI-OAHLLOKOSA-N 467.597 6.758 50 10 JKGE Cc1ccc([C@@H](Br)c2cc3sc(Br)cc3s2)c(Br)c1 2278100564 KCTAUWJDIPONJK-CQSZACIVSA-N 481.072 7.281 50 10 JKGE Clc1ccc([C@H](Br)c2cccc3ccccc23)cc1I 2283586287 YLWHSXPQEYLITJ-KRWDZBQOSA-N 457.536 6.582 50 10 JKGE Cc1ccc(N2C(=O)[C@H](Cc3cccc(C)c3)SC2=C(C#N)C(=O)NCc2ccccc2)cc1 2293038436 BTHDPJFUJIGDIJ-VWLOTQADSA-N 467.594 5.046 50 10 JKGE CCOC(=O)C(C#N)=C1S[C@H](Cc2cc(Cl)ccc2Cl)C(=O)N1c1ccc(F)cc1 2293039285 YCHRCQNRSWEONM-GOSISDBHSA-N 465.333 5.122 50 10 JKGE COc1c(Br)cc([C@@H](Br)c2cc(Br)co2)c(OC)c1C 2295416925 OFMOMASMPOPVEF-GFCCVEGCSA-N 468.967 5.615 50 10 JKGE N#CC(=Cc1c(Oc2ccc(Cl)cc2Cl)nc2ccccn2c1=O)C(=O)NC1CCCCC1 2296544455 IDNZEXRPEOZJPL-UHFFFAOYSA-N 483.355 5.149 50 10 JKGE CCCOc1ccc(C=C(NC(=O)c2ccccc2)C(=O)NN=C(C)c2ccc(OCC)cc2)cc1 2296734932 BXQMLCZIGDFDSF-UHFFFAOYSA-N 485.584 5.185 50 10 JKGE N#CC(C(=O)Nc1ccccc1)=C1S[C@H](Cc2ccc(F)cc2)C(=O)N1c1ccc(Cl)cc1 2296834811 FEBKCCPZRYCMSV-JOCHJYFZSA-N 477.948 5.544 50 10 JKGE CO[C@H]1C[C@@H](C[C@@H](Br)c2ccc(OCc3ccccc3)cc2Br)C1 2299487900 AUFSYRJXQPOLMP-HHXXYDBFSA-N 454.202 6.279 50 10 JKGE CC1(C)[C@H]([C@H](Br)c2ccc(OCc3ccccc3)cc2Br)C1(F)F 2299508885 LLDVCWYUWZTWDU-SJORKVTESA-N 460.156 6.755 50 10 JKGE Brc1cc(Br)cc(COC2(CI)CCCC2)c1 2300174049 MJAICEUOFKYFME-UHFFFAOYSA-N 473.974 5.476 50 10 JKGE Cc1c([C@H](Cl)c2sc(Cl)cc2I)nn(C)c1Br 2300992261 AHRQJSSFDWMYDR-ZETCQYMHSA-N 465.969 5.139 50 10 JKGE Cc1cc(C=C(C#N)C(=O)N2CCN(c3ccccc3)CC2)c(C)n1-c1cccc2ccccc12 2313545743 BZASYCMYYKTYGC-UHFFFAOYSA-N 460.581 5.503 50 10 JKGE N#CC(=Cc1ccc(OC(=O)c2ccc(Cl)cc2Cl)cc1)C(=O)Nc1ccc(Cl)cc1 2313630468 AIUSOUXTKZFXMZ-UHFFFAOYSA-N 471.727 6.412 50 10 JKGE CCOc1cc(C=C(C#N)C(=O)Nc2ccccc2Cl)ccc1OCc1cccc(F)c1 2313631355 OMXJDPHLBRWRMY-UHFFFAOYSA-N 450.897 6.002 50 10 JKGE Cc1cccc(NC(=O)C(C#N)=Cc2ccc(OCc3ccc(Cl)c(Cl)c3)cc2)c1C 2313667195 HDQRBTWVVXRNRK-UHFFFAOYSA-N 451.353 6.735 50 10 JKGE C[C@H](NC(=O)C(C#N)=Cc1cc(Br)ccc1OCc1ccccc1)c1ccccc1 2313670714 QYFFXKQMFXBLDP-SFHVURJKSA-N 461.359 5.812 50 10 JKGE N#CC(=Cc1ccc(-c2cc(C(F)(F)F)ccc2Cl)o1)C(=O)Nc1ccc([N+](=O)[O-])cc1Cl 2314490627 ZQXDGZRVSQRVCV-UHFFFAOYSA-N 496.228 6.726 50 10 JKGE N#CC(=Cc1ccc(-c2ccc(Cl)c(Cl)c2)o1)C(=O)Nc1ccc(Cl)c(Cl)c1 2314572315 YKPUSROOMRAAKS-UHFFFAOYSA-N 452.124 7.106 50 10 JKGE COc1ccc(-c2nn(-c3ccccc3)cc2C=C2C(=O)N(C3CCCC3)C(=O)C(C#N)=C2C)cc1C 2314617202 SRUPAYBOCWWJAU-UHFFFAOYSA-N 492.579 5.391 50 10 JKGE CC(C)(C)[C@@H]1CC[C@H]1[C@@H](Br)c1cc(Br)ccc1OCc1ccccc1 2320103841 LRMRUHGNDZUADX-YFVAEKQCSA-N 466.257 7.536 50 10 JKGE Cc1ccc(-c2c(C)sc3ncn(CC(=O)C(C#N)=C4Nc5ccccc5S4)c(=O)c23)cc1 2320729585 YVCXUFNUUTWLIA-UHFFFAOYSA-N 470.579 5.264 50 10 JKGE COc1ccc2c(c1)c(C=NNC(=O)c1ccc(-c3ccc(Cl)c(Cl)c3)nc1C)cn2C 2321250744 MIVSJCBXYTUQGR-UHFFFAOYSA-N 467.356 5.628 50 10 JKGE BrC[C@H]1CCCN(Cc2ccc(I)c(Br)c2)CC1 2325207287 OUVVIGISVBXRBE-NSHDSACASA-N 487.017 5.051 50 10 JKGE CCc1cccc(C)c1N1C[C@@H](C(O)=C(C#N)c2nc(-c3cccc(OC)c3)cs2)CC1=O 2331246623 HDQBEXNSJSYQFT-IBGZPJMESA-N 459.571 5.535 50 10 JKGE CCOC(=O)Oc1ccc(C(O)=C(C#N)c2nc(-c3cc(OC)c(Cl)cc3OC)cs2)cc1 2331377139 NOACTZWVNHCMQR-UHFFFAOYSA-N 486.933 5.966 50 10 JKGE CCOc1ccc(-c2csc(C(C#N)=Cc3ccc(Cl)c([N+](=O)[O-])c3)n2)c(OCC)c1 2331473925 OZLKWAAKENGDRB-UHFFFAOYSA-N 455.923 6.233 50 10 JKGE Fc1cc(Cl)c(Br)c(Cl)c1[C@H](Br)c1cc(Cl)c(Cl)s1 2335290465 PWESTESNUADSDX-SECBINFHSA-N 487.830 7.748 50 10 JKGE Cc1cc(I)c(Oc2cc(C)c(CBr)cn2)cc1Cl 2336561209 OEMHEBOJWHSFFQ-UHFFFAOYSA-N 452.517 5.644 50 10 JKGE C[C@@H]1CCC[C@H]([C@@H](Br)c2c(Cl)cc(Br)c(F)c2Br)C1 2337080216 FGFUXGPBWNAXOI-RGNHYFCHSA-N 477.437 7.266 50 10 JKGE Clc1ccc(CN[C@@H](CBr)C2CCCCC2)cc1I 2337220317 BXEGXGSEYPPSQT-HNNXBMFYSA-N 456.593 5.378 50 10 JKGE Clc1ccc(C[C@@H]2C[C@@H]3CCCC[C@H]3[C@H]2Br)cc1I 2337272987 PPQYFDJWDJJFLX-VLXAULBPSA-N 453.589 6.077 50 10 JKGE Cc1cc(Br)c([C@H](Cl)c2c(Br)ncn2C)c(C)c1Br 2337274931 ONIKGOVCYUJEEI-NSHDSACASA-N 471.418 5.653 50 10 JKGE Fc1cccc(OCc2ccc(Cl)c(I)c2)c1CBr 2337276970 NMWOSBZKMSZMPC-UHFFFAOYSA-N 455.492 5.558 50 10 JKGE FC(F)(F)c1ccccc1[C@H](Br)c1sc(Cl)cc1I 2338558993 REXASGHADJOWFR-JTQLQIEISA-N 481.502 6.509 50 10 JKGE CC1(C)CCCC[C@@]1(CBr)Cc1ccc(Cl)cc1I 2341048330 JGBFSUGEFGTAIM-INIZCTEOSA-N 455.605 6.469 50 10 JKGE BrC[C@@H](OCc1cccc(I)c1)c1ccc(Br)cc1 2341612593 UPBWFEOJRGUFAH-OAHLLOKOSA-N 495.980 5.707 50 10 JKGE COC1(C(F)F)CC([C@@H](Br)c2sc(Br)c(C)c2Br)C1 2343014716 YLGIAZWZZHGBIB-BCIJWEBZSA-N 483.010 6.078 50 10 JKGE CC(C)c1cc(Br)cc(C(=O)N[C@@H](CCBr)COCc2ccccc2)c1 2343417242 FEWLOHLNAITABD-FQEVSTJZSA-N 483.244 5.673 50 10 JKGE C[C@@H]1CCC[C@](CBr)(Cc2cc(I)ccc2Cl)CC1 2352349079 ZAHIZGVGQXUWKM-MLGOLLRUSA-N 455.605 6.469 50 10 JKGE C[C@]1(Nc2ncc(I)cc2Br)C[C@H]2CC[C@H]1C[C@@H]2Cl 2352859905 WPTOVGKPOXPPRB-YYESSMSJSA-N 455.565 5.047 50 10 JKGE FC(F)(F)c1ccc([C@@H](Cl)c2cc(Br)ccc2OCc2ccccc2)cc1 2361206340 MFQOOGLRJHFBRC-HXUWFJFHSA-N 455.701 7.375 50 10 JKGE Cc1ccc(Cl)cc1[C@H](Cl)c1c(Cl)cc(Br)c(F)c1Br 2362226952 YILACMPCKCCCQM-ZDUSSCGKSA-N 461.383 7.294 50 10 JKGE Clc1ccc(C[C@@H]2CCCCCCCC[C@@H]2Br)cc1I 2362435706 JBIDTRUOMZAUMN-GJZGRUSLSA-N 469.632 7.001 50 10 JKGE Cc1nc(Br)c([C@H](Cl)c2c(F)cc(Br)c(F)c2Br)n1C 2362444786 QQWXGDCVVZLVHE-SECBINFHSA-N 493.371 5.622 50 10 JKGE COc1ccc(C[C@@H](Cl)c2cc(Br)ccc2Br)c(Br)c1 2364189099 WFLIUCYFOWWDLG-OAHLLOKOSA-N 483.425 6.505 50 10 JKGE COC[C@]1(C)C[C@H]1[C@H](Br)c1c(C)cc(Br)c(OC)c1Br 2365220975 YRROGXPPNGNWSN-FMSQNYNMSA-N 471.027 5.637 50 10 JKGE Clc1ccc([C@@H](Cl)c2ccc(-c3cccs3)s2)c(I)c1 2365599870 XZNFEHLAYWHUNY-OAHLLOKOSA-N 451.181 7.063 50 10 JKGE Clc1ccc(C[C@@H](CBr)Cc2ccc(Cl)cc2I)cc1 2366714417 ILTPDJUMVYCULZ-GFCCVEGCSA-N 484.002 6.394 50 10 JKGE FC(F)(F)[C@H]1[C@@H](Br)CCCN1Cc1ccc(Cl)c(I)c1 2370299210 HXAFURMCWKMFPN-JOYOIKCWSA-N 482.509 5.235 50 10 JKGE Clc1ccc(I)cc1CN1CC[C@@H]2[C@@H](Br)CCC[C@@H]2C1 2380513429 UCFCFBRNFUJPSH-UGFHNGPFSA-N 468.604 5.330 50 10 JKGE O=C(NC1CCCCCC1)[C@@H](c1ccc(F)cc1Cl)N(Cc1ccc(F)cc1)C(=O)CCl 3039220 FYJMWBWWBJGTOQ-HSZRJFAPSA-N 483.386 5.766 50 10 JKGE N#C/C(=C\c1cccc([N+](=O)[O-])c1)c1nc(-c2cc3c(ccc4ccccc43)oc2=O)cs1 27474152 WDQRJAGWNRJSTK-LICLKQGHSA-N 451.463 6.042 50 10 JKGE O=C(CSc1nc2ccccc2n1Cc1ccccc1Cl)N/N=C/C=C\c1ccco1 28350685 XGXNBYXDSDRMOP-LSOPPVBMSA-N 450.951 5.239 50 10 JKGE CCN(CC)S(=O)(=O)c1ccc(C(=O)Oc2cccc(/C=C(/C#N)c3ccccc3)c2)cc1 31902588 PFYPBWDTZVDNEB-QJOMJCCJSA-N 460.555 5.000 50 10 JKGE N#C/C(=C\c1ccc(-c2ccc([N+](=O)[O-])cc2)o1)C(=O)Nc1ccc(Cl)c(C(F)(F)F)c1 35518286 BYFOXLKFUNXKBF-UKTHLTGXSA-N 461.783 6.073 50 10 JKGE CCOc1cc(/C=C2/C(=O)N(CCCOC(C)C)C(=O)C(C#N)=C2C)ccc1OCc1ccccc1 38606689 QAHAQPKRXAGBMT-LFVJCYFKSA-N 488.584 5.072 50 10 JKGE C[C@@H](Oc1ccc(F)cc1)C(=O)Oc1ccc2c(c1)OC(N)=C(C#N)[C@H]2c1ccc(Cl)cc1 38651374 XRRQBKMQPYLFBQ-FATZIPQQSA-N 464.880 5.070 50 10 JKGE Cc1cc(C)cc(OCC(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@@H]3c2cccc3ccccc23)c1 38657867 VSKDRXUVUFVWAI-GDLZYMKVSA-N 476.532 5.659 50 10 JKGE COc1ccccc1[C@@H]1C(C#N)=C(N)Oc2cc(OC(=O)c3oc4c(C)c(C)ccc4c3C)ccc21 38687282 OMUZJHCMLRCGQY-VWLOTQADSA-N 480.520 5.804 50 10 JKGE CCCCC1CCC(C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@@H]3c2ccc(C(C)(C)C)cc2)CC1 40530287 MWXBPWAWUWPIBB-BLHVWRTFSA-N 486.656 7.104 50 10 JKGE Cc1ccc(C)c(Nc2ncnc(NNC(=O)C(c3ccccc3)c3ccccc3)c2[N+](=O)[O-])c1 40592201 ZDKGWPCQRKJXCB-UHFFFAOYSA-N 468.517 5.020 50 10 JKGE CCCCOc1ccc(Nc2ncnc(NNC(=O)c3ccc(Cl)cc3Cl)c2[N+](=O)[O-])cc1 40620051 FAMFTYLMQAJDPF-UHFFFAOYSA-N 491.335 5.371 50 10 JKGE CCCCCCOc1ccc(/C=N/NC(=O)COc2ccc(Br)cc2C(C)C)cc1 40951062 DAAKIPAUNOJTPX-WGOQTCKBSA-N 475.427 6.061 50 10 JKGE Fc1ccc(Br)cc1C[C@H](CBr)Cc1cccc(Br)c1 97184697 DBMGPIFYOWNTJG-GFCCVEGCSA-N 464.998 6.147 50 10 JKGE Cc1ccc(N/C(SCc2cccc(F)c2)=C(\C#N)S(=O)(=O)c2ccccc2)c(C)c1 104688974 VHXLZPKIQNUSMX-VHXPQNKSSA-N 452.576 5.954 50 10 JKGE Fc1ccccc1C(CBr)(CBr)Cc1sccc1Br 118671638 AUKWHXWPYWJKKE-UHFFFAOYSA-N 471.027 5.920 50 10 JKGE CCOc1ccc(NC(=O)c2cc(Br)c(Br)s2)cc1CBr 124234220 GUGUGSRQERWMQS-UHFFFAOYSA-N 498.034 5.819 50 10 JKGE CC(C)CC1([C@@H](Br)c2cc(Br)ccc2Br)CCCC1 126347051 AKVQTWXHUHBCLK-HNNXBMFYSA-N 453.056 7.254 50 10 JKGE COc1cc(F)c([C@H](Br)c2cc(Br)c(Br)s2)c(F)c1 128856422 YTNRSBXHBHDBHE-LLVKDONJSA-N 476.962 6.044 50 10 JKGE C[C@H](NC(=O)/C(C#N)=C\Nc1ccc(Cl)c(C(F)(F)F)c1)C12CC3CC(CC(C3)C1)C2 217037774 TUSPFBOIEUALTO-UORUSPLLSA-N 451.920 5.899 50 10 JKGE COc1ccc(OC)c([C@H](Br)c2ccc(I)c(Cl)c2)c1 232342720 XDGDPHZQEJWVFB-OAHLLOKOSA-N 467.528 5.446 50 10 JKGE COc1c(C)cc([C@H](Br)c2ccc(I)c(Cl)c2)cc1C 232345152 USBAGVMXFHJALG-OAHLLOKOSA-N 465.556 6.054 50 10 JKGE COc1cc(C)c(Br)cc1[C@H](Cl)c1cccc(C)c1I 234807768 LPHITTZUDAABSL-OAHLLOKOSA-N 465.556 6.007 50 10 JKGE COc1ccc(Cl)cc1[C@H](Br)c1cccc(C)c1I 234880223 QPTSZAVBVFRTEY-CQSZACIVSA-N 451.529 5.746 50 10 JKGE CC(C)(C)c1cc2oc3c(c2c(C=NNC(=O)c2cc(O)nc4ccccc24)c1O)CCCC3 252628170 SJTDQZHUSQEZAH-UHFFFAOYSA-N 457.530 5.332 50 10 JKGE C=CCn1c(-c2ccc(Cl)cc2)c(C)sc1=NNC(=O)c1cccc(Br)c1 252676940 XYDXGLSSEFKHIS-UHFFFAOYSA-N 462.800 5.373 50 10 JKGE CCn1c(SCC(=O)NN=Cc2ccc(OCc3ccccc3)cc2)nnc1-c1ccc(C)cc1 254519637 KDOOXMZLWXCFKM-UHFFFAOYSA-N 485.613 5.095 50 10 JKGE CCCCCCCOc1ccc(C=NNC(=O)c2ccccc2NC(=O)c2ccccc2F)cc1 254761237 VMOPSKDTUHCYCH-UHFFFAOYSA-N 475.564 6.191 50 10 JKGE Cc1cccc([C@H](Br)c2cc(Br)c(Cl)s2)c1Br 300468443 SZIULHXEAGZONZ-NSHDSACASA-N 459.428 6.719 50 10 JKGE C[C@@H]1C[C@H](n2c(CCCl)nc3cc(I)c(F)cc32)CN1Cc1ccccc1 398227795 VMQALFFFVFARLQ-ZBFHGGJFSA-N 497.783 5.397 50 10 JKGE CN(C(=O)OC(C)(C)C)c1cccc([C@@H]2CCCN(CCO[Si](C)(C)C(C)(C)C)CC2)c1 616627323 IHCXEXQTSKOIFO-OAQYLSRUSA-N 462.751 6.649 50 10 JKGE CC(C)(C)[Si](C)(C)OCc1ccc([C@H]2CNc3ccccc3N2S(=O)(=O)c2ccccc2)cc1 616691790 OBEAGQWTJQBKMX-AREMUKBSSA-N 494.733 6.571 50 10 JKGE Fc1ccccc1C(CBr)(CBr)Cc1ccncc1Br 702864528 BZHLBQKEPWUZIU-UHFFFAOYSA-N 465.986 5.254 50 10 JKGE Cc1cc2nc([C@@H](C)Cl)n(CC3(N(Cc4ccccc4)Cc4ccccc4)COC3)c2cc1C 705864669 KYWDZHBSTQMCQY-HSZRJFAPSA-N 474.048 6.424 50 10 JKGE Cc1cc(Br)c([C@@H](Br)c2cscc2Cl)cc1Br 711558149 HHFYHXAQYVWCJP-GFCCVEGCSA-N 459.428 6.719 50 10 JKGE FC(F)(F)c1cccc(Cl)c1[C@H](Cl)c1cc(Br)c(Br)s1 712578751 ILHGBNDXRVLFNL-SNVBAGLBSA-N 468.947 7.274 50 10 JKGE CCOc1cc(CBr)cc(Br)c1OCc1sncc1Br 719818444 RQJCMMGNHCFSAR-UHFFFAOYSA-N 486.023 5.541 50 10 JKGE Cc1sc([C@@H](Br)c2c(F)cccc2Br)c(C)c1Br 724928415 MMHLBAOQJKDFSQ-LBPRGKRZSA-N 457.000 6.513 50 10 JKGE C=CCc1cc(C=NNC(=O)c2ccc(Cl)cc2)cc(OCC)c1OCc1ccc(Cl)cc1 1081111522 IBAQDHRXQPFBPK-UHFFFAOYSA-N 483.395 6.464 50 10 JKGE Cc1nn(Cc2ccccc2Cl)c(C)c1C=NNC(=O)[C@@H](C)c1ccc(CC(C)C)cc1 1084057792 YXYNTVAHVIQLFE-SFHVURJKSA-N 451.014 5.654 50 10 JKGE O=C(NN=Cc1cccc(OCc2ccc(Cl)cc2Cl)c1)c1ccccc1Br 1084226191 ZDXQMBSUFHSYBB-UHFFFAOYSA-N 478.173 6.099 50 10 JKGE CCOc1cc(/C=C(/C#N)C(=O)Nc2cc([N+](=O)[O-])ccc2Cl)ccc1OC(=O)c1ccccc1 1084273260 DTKZACKFDUDREC-PDGQHHTCSA-N 491.887 5.412 50 10 JKGE CCOc1cc(C=NNC(=O)c2cc3ccccc3o2)c(Br)cc1OCc1ccccc1 1084306582 VOZGLRLMAGGYPP-UHFFFAOYSA-N 493.357 5.937 50 10 JKGE Cc1ccccc1CSCC(=O)NN=Cc1cc(C)n(-c2cccc(Br)c2)c1C 1084369019 FCJCNAFMMREBHW-UHFFFAOYSA-N 470.436 5.549 50 10 JKGE CCOc1cc(C=NNC(=O)c2cccs2)ccc1OCc1ccc(Br)cc1 1084540209 IMGAARXPUMEKQI-UHFFFAOYSA-N 459.365 5.252 50 10 JKGE O=C(CC[C@@H](O)c1ccccc1)NN=Cc1ccc(OCc2ccc(F)cc2)c(Br)c1 1084577357 YKBYJLSWGDAPRL-JOCHJYFZSA-N 485.353 5.131 50 10 JKGE O=C(NN=C1C(=O)N(C(c2ccccc2)c2ccccc2)c2ccccc21)c1cc2ccccc2cc1O 1084653396 ZGHJMAHQVUKRLR-UHFFFAOYSA-N 497.554 5.816 50 10 JKGE COc1ccccc1C(=O)NN=C1CCCc2oc(C(=O)Nc3cccc(C(F)(F)F)c3)c(C)c21 1772746642 YVRKTASSTUCZHM-UHFFFAOYSA-N 485.462 5.338 50 10 JKGE Cc1ccc(-n2nc(-c3ccccc3)c3c2OC(N)=C(C#N)[C@H]3c2ccc(C(C)(C)C)cc2)cc1 1865682172 HWVRFMWOVONTLN-RUZDIDTESA-N 460.581 6.363 50 10 JKGE CC(C)c1ccc([C@@H]2C(C#N)=C(N)Oc3c2c(C(F)(F)F)nn3-c2ccccc2Cl)cc1 1865685345 IEQYQMMSGOEUEC-GOSISDBHSA-N 458.871 5.886 50 10 JKGE COc1ccc(-c2nn(-c3ccc(Cl)cc3)c3c2[C@@H](c2cc(C)ccc2O)C(C#N)=C(N)O3)cc1 1865686967 GHXCZDJUDOEGKV-QHCPKHFHSA-N 484.943 5.434 50 10 JKGE CCCOc1cccc([C@H]2C(C#N)=C(N)Oc3c2c(CC)nn3Cc2c(F)cccc2Cl)c1 1865692928 GRIFZJJFXJAMPG-QFIPXVFZSA-N 466.944 5.293 50 10 JKGE CCCc1nn(-c2cccc3ccccc23)c2c1[C@@H](c1cc(Cl)c(O)c(OC)c1)C(C#N)=C(N)O2 1865706945 JOWBVIQXRDKMDD-QHCPKHFHSA-N 486.959 5.564 50 10 JKGE N#CC1=C(N)Oc2c(c(C(F)(F)F)nn2-c2ccc(Cl)cc2)[C@@H]1c1ccc(C(F)(F)F)cc1 1865711291 UYIMQFSUIMXODZ-OAHLLOKOSA-N 484.787 5.781 50 10 JKGE COc1ccc2c(c1)C[C@@H](C)CN2c1cc(Nc2ccc(SC#N)cc2)nc(C(C)(C)C)n1 1868342282 QAAWHTVBEVWUCS-QGZVFWFLSA-N 459.619 6.430 50 10 JKGE COc1cccc(/C=C(\C#N)n2cnc3ccccc32)c1OCc1ccc(Cl)c(Cl)c1 1872727350 SMVXDGQFAKEVQR-LDADJPATSA-N 450.325 6.452 50 10 JKGE CCCCCCOc1ccc(/C(O)=C(\C#N)c2nc(-c3ccc(CCCC)cc3)cs2)cc1 1872744882 MYEXVBFRBDKCIO-RFBIWTDZSA-N 460.643 8.062 50 10 JKGE N#C/C(=C(/O)CCCOc1ccccc1Cl)c1nc(-c2ccc3c(c2)CCCC3)cs1 1872745588 URXZAVZBNQVFMP-ATJXCDBQSA-N 450.991 6.994 50 10 JKGE CCc1cccc(C)c1N1C[C@@H](/C(O)=C(\C#N)c2nc(-c3cccc(Cl)c3)cs2)CC1=O 1872748158 LCAREJRPUBGMMZ-FCFMXISVSA-N 463.990 6.180 50 10 JKGE N#C/C(=C(O)\C=C\c1ccc(OCc2ccccc2)cc1)c1nc(-c2ccc3c(c2)OCCO3)cs1 1872750482 FGDCKUZKDYJECK-IOWOGDPWSA-N 494.572 6.666 50 10 JKGE CCCCCCCOc1ccc(-c2csc(/C(C#N)=C(\O)COc3cccc(C)c3C)n2)cc1 1872753182 KZZXLAKQGFJBBJ-LCUIJRPUSA-N 476.642 7.648 50 10 JKGE COC(=O)c1ccc(/C=C/C(O)=C(\C#N)c2nc(-c3cc(Cl)c(OC)cc3OC)cs2)cc1 1872756234 GCEMEIYHEJEMPU-QOUZIFTOSA-N 482.945 5.773 50 10 JKGE CCc1cccc(CC)c1N1C[C@H](/C(O)=C(\C#N)c2nc(-c3ccc(C)c(C)c3)cs2)CC1=O 1872756670 UZEWLCFNBNHYGY-SZWCJKGDSA-N 471.626 6.398 50 10 JKGE CCOc1ccc(CC/C(O)=C(\C#N)c2nc(-c3cc(Cl)ccc3Cl)cs2)cc1OC 1872758692 LTLBTNMMMNDZNA-JZJYNLBNSA-N 475.397 6.950 50 10 JKGE COc1c(C)cc(Cl)cc1-c1csc(/C(C#N)=C/c2ccc(OCc3ccc(C)cc3)cc2)n1 1872793966 CNVRASFBBMFUJO-LPYMAVHISA-N 487.024 7.732 50 10 JKGE Cc1cscc1[C@@H](Br)c1ccc(OCc2ccccc2)cc1Br 1899881201 DSPGCQQVYFHNHM-IBGZPJMESA-N 452.211 6.882 50 10 JKGE CN(Cc1cc(I)ccc1Cl)C[C@H](Cl)COCc1ccccc1 1905039795 GNDZWCJAVZGVDA-INIZCTEOSA-N 464.174 5.201 50 10 JKGE Cl[C@@H](c1c(Br)sc(Br)c1Br)[C@H]1C[C@H]2CC[C@H]1C2 1924583410 JMQHOTGRXQDVRH-ZFVDQJKFSA-N 463.460 6.752 50 10 JKGE Cl[C@@H](c1cc(Br)c(Br)s1)c1csnc1Br 1925225152 DEZKZTWIYAAYPV-ZCFIWIBFSA-N 452.418 5.820 50 10 JKGE C[C@]1([C@H](Br)c2cc(Br)sc2Br)C[C@@H]1C(F)(F)F 1950757084 GJMXTOZOSHWHSD-KWPFTWCOSA-N 456.947 6.298 50 10 JKGE CC(C)(C)OC(=O)NC[C@](C)(CI)OCc1cc(Cl)cc(Cl)c1 1992071456 PHOHDIJGHICWLX-INIZCTEOSA-N 474.166 5.228 50 10 JKGE O=C(Nc1ccc(C(F)(F)F)cc1)N(N=Cc1ccc(Cl)cc1)c1ccc(Cl)cc1 2069703050 JIFWSRZKGTUSRZ-UHFFFAOYSA-N 452.263 7.085 50 10 JKGE C[C@@H]1O[C@@]2([C@H](Cl)c3c(Br)sc(Br)c3Br)CC[C@H]1C2 2078506813 XXICRSQVUXZTFV-FALYWKPKSA-N 479.459 6.273 50 10 JKGE CCOc1ccc(C(F)(F)F)cc1-n1nc(CCl)c(I)c1C(F)(F)F 2079211673 XROFFTMBICAJRR-UHFFFAOYSA-N 498.592 5.652 50 10 JKGE Clc1ccc(Oc2nc(Cl)c(CBr)s2)c(Br)c1Cl 2085454903 JNVRPKHVSGPQHC-UHFFFAOYSA-N 452.382 6.553 50 10 JKGE ClC[C@@H](Cc1cccc(Br)c1Br)c1ccccc1Br 2092334037 FJHPQRWWVYUCRG-LLVKDONJSA-N 467.426 6.539 50 10 JKGE O=[N+]([O-])c1ccccc1C[C@H](Br)c1csc(Br)c1Br 2093942519 UHWMPVBFEAQXBV-VIFPVBQESA-N 469.980 5.860 50 10 JKGE Fc1cc(Br)c([C@H](Br)c2cc(Cl)c(Cl)s2)c(F)c1F 2099843456 POFPPASZZGXKRI-MRVPVSSYSA-N 454.920 6.719 50 10 JKGE FC1(F)CCC[C@H](Oc2c(Br)cc(CBr)cc2Br)C1 2107516984 BOFPWZULPTTWCH-VIFPVBQESA-N 462.954 6.063 50 10 JKGE ClCCCc1cccc(Nc2ncc(I)cc2Br)c1 2133371908 LMNYEADYFUYUNV-UHFFFAOYSA-N 451.533 5.364 50 10 JKGE Cc1cc(Br)c(C)c([C@H](Br)[C@@H]2CC[C@@H]3C[C@@H]3C2)c1Br 2136365877 BXEKTWHFCQFLSI-DSZLRUIBSA-N 451.040 6.701 50 10 JKGE Cc1cc(Br)c(C)c([C@H](Br)C23CCC(CC2)C3)c1Br 2136368025 CVZVLNRXXSWZDN-AJQRCPHMSA-N 451.040 6.845 50 10 JKGE CCC[C@@H](C(C)C)[C@@H](Br)c1c(C)c(Br)cc(C)c1Br 2136372190 XDLDPQRSGDUCMU-BLLLJJGKSA-N 455.072 7.337 50 10 JKGE COc1c(Cl)cc(Br)cc1[C@H](Cl)c1ccc(OCc2ccccc2)cc1 2138241914 MZKYKRITJAHDDX-HXUWFJFHSA-N 452.175 7.018 50 10 JKGE Cc1c(Br)ccc([C@H](Cl)c2cccc(Br)c2Cl)c1Br 2138866670 VBGZCMFHKQDALK-ZDUSSCGKSA-N 487.844 7.264 50 10 JKGE COc1c(Br)cc(C)cc1[C@H](Cl)c1csc(Br)c1Br 2139006317 SDEWWQNMMRONMJ-NSHDSACASA-N 489.454 6.681 50 10 JKGE Clc1sc([C@H](Br)c2ccc(-c3cccs3)s2)cc1Br 2140977280 XXMFMAUIPYXRAC-GFCCVEGCSA-N 454.661 7.438 50 10 JKGE Clc1ccc(CBr)c(OCc2ccc(I)c(Cl)c2)c1 2142948611 BZQADNZRHWDBFK-UHFFFAOYSA-N 471.947 6.072 50 10 JKGE Fc1ccc(N2CCC[C@@H]2[C@H]2CCN(Cc3ccccc3)C2)c(CBr)c1Cl 2145257529 WICLIQBHKBOCAJ-FXAWDEMLSA-N 451.811 5.865 50 10 JKGE Brc1cccc([C@H](Br)c2ccc3c(c2)CCCO3)c1Br 2148753390 WQFDYLSHGYAOCO-OAHLLOKOSA-N 460.991 6.021 50 10 JKGE BrCc1cc(Br)c(OC[C@H]2CC3(CCC3)CO2)c(Br)c1 2166425275 RAAVXAWIGFYOAI-LLVKDONJSA-N 469.011 5.445 50 10 JKGE O=C(c1c(Br)cccc1Br)N(CCBr)Cc1cccs1 2171090787 NWGXPRVLORJZJU-UHFFFAOYSA-N 482.035 5.310 50 10 JKGE Cc1cc(Br)c(CBr)c(N(C)[C@@H]2C[C@@H]3CC[C@H](C2)N3Cc2ccccc2)c1 2173448542 AVPNZKZVIGJUKB-PMOLBWCYSA-N 492.299 6.284 50 10 JKGE BrCc1cc(Br)cc(Br)c1OC[C@H]1CC2(CCCC2)O1 2189615777 RGCBQWZYTITEAQ-GFCCVEGCSA-N 469.011 5.587 50 10 JKGE CCc1nn(C)c([C@H](Cl)c2cc(Br)c(C)cc2Br)c1Br 2192385562 UUVCKTRPHLDHMD-CYBMUJFWSA-N 485.445 5.907 50 10 JKGE Cc1cc(Br)c(C)c([C@@H](Br)C23CCC(CC2)CC3)c1Br 2201065213 OHMJSPMFSKZCJM-PTXATLKXSA-N 465.067 7.235 50 10 JKGE Cc1cc(Br)c(C)c([C@@H](Br)c2ccc(F)cc2F)c1Br 2201071534 RCEYOKALVOTVOP-HNNXBMFYSA-N 468.961 6.591 50 10 JKGE CCc1nc([C@@H](Cl)c2c(Br)cc(F)c(Cl)c2F)c(Br)s1 2201607911 ISDJPASUDAYIPH-VIFPVBQESA-N 465.972 6.490 50 10 JKGE COc1c(Cl)cc(Br)cc1[C@@H](Br)c1c(Br)nn(C)c1C 2203004335 YGSSHOPKKKYFHM-LLVKDONJSA-N 487.417 5.400 50 10 JKGE COc1ccc([C@H](Cl)c2cccc(Br)c2Br)c(Cl)c1Cl 2203432823 KORBKQWMVQUINF-GFCCVEGCSA-N 459.392 6.855 50 10 JKGE CCCC[C@@H](C)CC[C@@H](Br)c1c(C)c(Br)cc(C)c1Br 2207148380 SDAJBKSFPXNJIF-BXUZGUMPSA-N 469.099 7.871 50 10 JKGE CC[C@@](CBr)(Cc1ccc(I)c(Cl)c1)c1ccccc1 2208041975 ATGOTVGQYHBFTJ-KRWDZBQOSA-N 463.584 6.230 50 10 JKGE Cc1ccc([C@@H](Cl)c2cc(Br)c(Cl)s2)cc1I 2212993174 WBLUCRNHMRETRR-LLVKDONJSA-N 461.977 6.405 50 10 JKGE Fc1cc(Br)c(Br)cc1[C@H](Cl)c1cccc(OCc2ccccc2)c1 2218597428 MATJFTOLEAHXDB-HXUWFJFHSA-N 484.590 7.258 50 10 JKGE CC(C)(C)C(C)(C)[C@@H](Br)c1c(Br)cc(Cl)c(Cl)c1Cl 2224302475 LZAZVCMBCXWACP-LBPRGKRZSA-N 451.457 7.918 50 10 JKGE CC(C)([C@H]1CCCO1)[C@@H](Br)c1cc(Br)c(Br)cc1F 2225616281 NTWQOZYNINDQSD-OLZOCXBDSA-N 458.991 5.992 50 10 JKGE COc1ccc([C@@H](Br)c2cc(Br)c(Br)cc2F)cc1 2225617420 UJHBBLFHTBUUAT-CQSZACIVSA-N 452.943 5.844 50 10 JKGE Fc1cc(Br)c(Br)cc1[C@@H](Br)C1C[C@@H]2CC[C@H](C1)O2 2225620135 QZKGOKUUNHEVFM-UKKMJWFCSA-N 456.975 5.744 50 10 JKGE C[C@@]1(n2c(CCl)nc3cc(Br)c(Br)cc32)CCN(Cc2ccccc2)C1 2225704749 PDOHEEGWYOICRQ-HXUWFJFHSA-N 497.662 5.921 50 10 JKGE Fc1ccc([C@H](Cl)c2cc(Br)ccc2I)c(F)c1F 2225928903 YWATXCWRCNTBLL-NSHDSACASA-N 461.446 5.799 50 10 JKGE Cc1cc(Br)c([C@@H](Br)[C@@H]2CCCOCC2)c(C)c1Br 2227361682 GDTFZRZHGRRUFQ-ABAIWWIYSA-N 455.028 6.081 50 10 JKGE Cc1cc(Br)c([C@H](Br)C2(C)CC3(CCC3)C2)cc1Br 2228268388 RSJHGCJEQJXCHD-AWEZNQCLSA-N 451.040 6.926 50 10 JKGE Clc1cc(Cl)cc(C[C@H](Br)c2ccc(Br)cc2Br)c1 2232160762 DHEKCMFYNIWJTF-ZDUSSCGKSA-N 487.844 7.197 50 10 JKGE Cc1ccc(F)cc1[C@H](Br)c1c(Br)cc(Cl)c(Cl)c1Cl 2232513442 RACALHSAUOLQIH-LBPRGKRZSA-N 461.383 7.341 50 10 JKGE Clc1ccc(I)c(CN2[C@H](CBr)C[C@@H]3CCCC[C@@H]32)c1 2240673612 WCEGNDZURGWSOC-PJODQICGSA-N 468.604 5.473 50 10 JKGE COc1ccc([C@@H](Br)c2coc(Br)c2)c(Br)c1Cl 2256327411 NOIAPDKHPWFWSZ-JTQLQIEISA-N 459.359 5.951 50 10 JKGE COc1cc(OC)c([C@@H](Br)c2sccc2I)cc1Cl 2264463238 MXUVLWYOXWVXKF-GFCCVEGCSA-N 473.557 5.508 50 10 JKGE CC(C)c1cc(Br)cc([C@@H](Br)c2cc(Cl)c(Br)s2)c1 2265957560 PHIVJZGTBABDRR-CYBMUJFWSA-N 487.482 7.534 50 10 JKGE COc1ccc([C@@H](Cl)c2ccc(I)cc2)c(Br)c1Cl 2268262326 SKEPETUEKDTISE-ZDUSSCGKSA-N 471.947 6.044 50 10 JKGE COc1c([C@H](Br)c2cocc2Br)cc(Br)c(C)c1C 2270460885 JSPWJJJVZAUOJC-ZDUSSCGKSA-N 452.968 5.914 50 10 JKGE C[C@H](Br)CN(C(=O)c1ccc(Br)cc1Br)C(C)(C)C 2272452752 NQPWGCQCSIIJFF-VIFPVBQESA-N 456.016 5.236 50 10 JKGE COc1c(Br)cc(Cl)c(C)c1[C@H](Br)c1ccc(Br)o1 2277900311 HVPAIGTXJPLAAY-GFCCVEGCSA-N 473.386 6.259 50 10 JKGE COc1ccc([C@H](Br)c2cc(Br)c(F)cc2Cl)cc1Br 2285941157 HYWJURRTJZJEGP-AWEZNQCLSA-N 487.388 6.497 50 10 JKGE CCCCOc1ccccc1C=C(C#N)C(=O)Nc1ncc(Cc2cccc(Cl)c2)s1 2293038739 WWVDVVXKOQIHJM-UHFFFAOYSA-N 451.979 6.112 50 10 JKGE COc1c(Br)cc([C@H](Cl)c2sccc2I)c(OC)c1C 2295425645 JCFDXQIFPGLXER-NSHDSACASA-N 487.584 5.769 50 10 JKGE CCOC(=O)c1c(NC=C(C#N)c2nc(-c3ccc4c(c3)OCO4)cs2)sc2c1CCC2 2297368724 SKDIIORWBRZPCL-UHFFFAOYSA-N 465.556 5.242 50 10 JKGE CS(=O)(=O)C1([C@H](Br)c2ccc(OCc3ccccc3)cc2Br)CC1 2299489426 PEOSJWUGFJUMOU-QGZVFWFLSA-N 474.214 5.041 50 10 JKGE Clc1ccc([C@@H](Br)c2cc(Br)ccc2OCc2ccccc2)cc1 2299534931 JKDZPMQADJHRTN-HXUWFJFHSA-N 466.600 7.166 50 10 JKGE Cl[C@@H](Cc1cc(Br)cc(Br)c1)c1cnsc1Br 2300334761 XJBYPPQKSDOREA-JTQLQIEISA-N 460.416 5.953 50 10 JKGE O=C(N[C@@H](CCCl)COCc1ccccc1)c1cc(Br)cc(Br)c1 2303771462 XISVXBOPIOPQCV-KRWDZBQOSA-N 475.608 5.156 50 10 JKGE C=CCc1cc(C=C(C#N)C(=O)N2CCN(c3ccccc3)CC2)ccc1OCc1ccc(F)cc1 2313567912 PNVHXYKCWKPMOC-UHFFFAOYSA-N 481.571 5.389 50 10 JKGE Cc1cccc(NC(=O)C(C#N)=Cc2cccc(OCc3ccc(Cl)cc3Cl)c2)c1C 2313667439 MYKCLLZIRPANJZ-UHFFFAOYSA-N 451.353 6.735 50 10 JKGE CCc1ccc(NC(=O)C(C#N)=Cc2cc(Br)ccc2OCc2cccc(F)c2)cc1 2313675595 DMTKYFDLWFIFAW-UHFFFAOYSA-N 479.349 6.275 50 10 JKGE CCN(C[C@@](C)(CI)OC(CC(C)C)CC(C)C)C(=O)OC(C)(C)C 2313680769 URIHHCXHGLQKSX-HXUWFJFHSA-N 469.448 5.915 50 10 JKGE N#CC(=Cc1cn(Cc2ccc(F)cc2)c2ccccc12)C(=O)Nc1cccc(C(F)(F)F)c1 2313738878 VVMCUQUPMLEPTF-UHFFFAOYSA-N 463.434 6.393 50 10 JKGE C[C@@H]1CCC[C@@H]([C@H](Br)c2ccc(OCc3ccccc3)cc2Br)CC1 2314441105 VYEDMLCJLJGBJM-CDMIOBSGSA-N 466.257 7.681 50 10 JKGE CCCCSc1ccc(-c2nn(-c3ccccc3)cc2C=C(C#N)C(=O)NCc2ccccc2)cc1 2314478128 GETSWSUXEVMVQR-UHFFFAOYSA-N 492.648 6.655 50 10 JKGE C=CCN1C(=O)C(=Cc2cn(-c3ccccc3)nc2-c2ccc(OCCCC)cc2)C(C)=C(C#N)C1=O 2314617133 RFOPERNZGIUKHL-UHFFFAOYSA-N 492.579 5.496 50 10 JKGE Fc1c(Br)cc(Cl)c([C@@H](Br)C2CCCCC2)c1Br 2315448578 CDSZSDRQLXWGFE-NSHDSACASA-N 463.410 7.020 50 10 JKGE Fc1cc(Cl)c(Br)c(Cl)c1[C@@H](Cl)c1cnsc1Br 2315615326 DDWVQHWXNFWZLA-QMMMGPOBSA-N 454.373 6.442 50 10 JKGE CCCc1ccc([C@@H](Br)c2c(Br)c(Br)nn2C)s1 2316725883 KYCWKLSTSREYTQ-SECBINFHSA-N 457.029 5.443 50 10 JKGE Clc1cc(I)c([C@H](Br)[C@H]2C[C@H]2C2CCCCC2)s1 2316771078 JQXXKBQWRYIMGW-OUJBWJOFSA-N 459.618 6.659 50 10 JKGE Fc1cc(Cl)c([C@@H](Br)c2sc(Cl)cc2Br)c(Cl)c1 2318357660 OAYVXZYPCIVMNN-SNVBAGLBSA-N 453.385 7.094 50 10 JKGE O=C(N[C@@H](CCBr)COCc1ccccc1)c1cc(Br)c(F)cc1Cl 2320362820 YCCGGUBZAFCCDR-ZDUSSCGKSA-N 493.598 5.342 50 10 JKGE Clc1ccc(I)cc1Oc1ccnc(Cl)c1CBr 2321465802 PPWJSUMKDUSCNE-UHFFFAOYSA-N 458.908 5.680 50 10 JKGE COc1cc2nc(C(C#N)=Cc3ccc(OCc4ccccc4)c(OC)c3)nc(O)c2cc1OC 2331042637 SXOUUMSSTBRZNF-UHFFFAOYSA-N 469.497 5.004 50 10 JKGE C[C@H](c1ccccc1)N1C[C@H](C(O)=C(C#N)c2nc(-c3ccc(Cl)c(Cl)c3)cs2)CC1=O 2331311779 XOTPCOYOBYHVKU-RHSMWYFYSA-N 484.408 6.519 50 10 JKGE CCOc1cc(C(O)=C(C#N)c2nc(-c3ccc4c(c3)OCO4)cs2)cc(OCC)c1OCC 2331333955 QQTJKTGTLVDKOS-UHFFFAOYSA-N 480.542 5.685 50 10 JKGE CC[C@H](C)[C@@H](C(O)=C(C#N)c1nc(-c2cccc3ccccc23)cs1)N1C(=O)c2ccccc2C1=O 2331340013 NVXLYBGGRCTQJD-GKVSMKOHSA-N 493.588 6.467 50 10 JKGE COc1c(C)cc(Cl)cc1-c1csc(C(C#N)=C(O)c2cc([N+](=O)[O-])cc([N+](=O)[O-])c2)n1 2331393817 VACOSZPCPGVXOK-UHFFFAOYSA-N 472.866 5.547 50 10 JKGE N#CC(=C(O)c1ccccc1C(=O)c1ccccc1)c1nc(-c2cc(Cl)ccc2Cl)cs1 2331404033 SMLAASPSUXEFFN-UHFFFAOYSA-N 477.372 7.298 50 10 JKGE CCCOc1ccc(C=C(C#N)c2nc(-c3ccc(Cl)c(Cl)c3)cs2)cc1OCC 2331443707 KOXVNWKMORBRAC-UHFFFAOYSA-N 459.398 7.369 50 10 JKGE CC(C)(C)[C@@H]1C[C@@H]1[C@H](Br)c1c(Cl)cc(Br)c(F)c1Br 2337082641 OLPCWLRNUHSOFO-CVJICSNFSA-N 477.437 7.122 50 10 JKGE N#Cc1cc(CBr)ccc1Oc1cc(Br)cc(I)c1 2338755649 RPZKITJKQVINCB-UHFFFAOYSA-N 492.936 5.613 50 10 JKGE COC[C@@H]1C[C@@H]1[C@@H](Br)c1c(C)cc(Br)c(OC)c1Br 2339680637 YVKKOVMMAHUJPJ-HOTUBEGUSA-N 457.000 5.247 50 10 JKGE CN(Cc1ccc(Cl)cc1I)C1(CBr)CCCCC1 2341008909 FLICTFJXZJFYHS-UHFFFAOYSA-N 456.593 5.474 50 10 JKGE Cc1scc([C@@H](Br)c2cc3c(cc2Br)OCC3)c1Br 2343561649 KMHJUBUHXZJMJO-AWEZNQCLSA-N 467.020 6.001 50 10 JKGE Cc1scc([C@H](Cl)c2c(F)cc(Br)c(F)c2Br)c1Br 2343563076 HPFXIUQJRIFPAH-NSHDSACASA-N 495.408 6.950 50 10 JKGE Brc1cc(C[C@H]2C[C@H](Br)CC3(CCC3)C2)ccc1I 2349808269 LGVKYHDQESKRHI-STQMWFEESA-N 498.040 6.330 50 10 JKGE Cc1cc(I)c(OC[C@@](C)(CBr)C(C)(C)C)cc1Cl 2352094041 QEOZCILXSWKVQS-OAHLLOKOSA-N 459.593 6.079 50 10 JKGE Cc1cc(Br)c(C)c([C@@H](Br)[C@H]2[C@@H]3[C@H]2CCC3(F)F)c1Br 2357916711 GAOYAQJFDWHGHP-RBQWDTSBSA-N 472.993 6.556 50 10 JKGE O=C(c1csc(Br)c1Br)N1CC[C@H](Br)C[C@@H]1C(F)(F)F 2361458177 XRSULTOLUFIHBG-CAHLUQPWSA-N 499.972 5.204 50 10 JKGE COc1cc(COc2ccc(Br)cc2CBr)c(Br)cn1 2362085778 BQLCCGOJOXXVPW-UHFFFAOYSA-N 465.967 5.089 50 10 JKGE Fc1c(Br)cc(Cl)c([C@H](Br)[C@H]2CC[C@@H]3C[C@H]2CO3)c1Br 2362232185 KSKGDQOLWMPRES-FLNNQWSLSA-N 491.420 6.255 50 10 JKGE C[C@]1([C@@H](Br)c2c(Cl)cc(Br)c(F)c2Br)CCCC1(F)F 2362237799 SVTRGCXSEODAPO-NWDGAFQWSA-N 499.390 7.266 50 10 JKGE Clc1ccc(CN2CCC[C@@H]3CC[C@H](Br)C[C@H]32)c(I)c1 2366725399 NHXFEYHWUHYOAZ-PVXIVEMSSA-N 468.604 5.473 50 10 JKGE CC1(C)CCC[C@@](CCl)(Cc2ccc(I)c(Br)c2)CC1 2377330550 FLBAFJTUIQZJEK-KRWDZBQOSA-N 469.632 6.812 50 10 JKGE COc1cc(/C=C(\C#N)C(=O)Nc2ccccc2)cc(Cl)c1OCc1ccc(C(=O)O)cc1 1195592 VZODXUJCGPXUQX-YBFXNURJSA-N 462.889 5.171 50 10 JKGE CCCCCOc1ccc(/C=N/NC(=O)c2[nH]c3c([N+](=O)[O-])cc(C)cc3c2-c2ccccc2)cc1 3644524 HUYQPQCXNJDBME-RDRPBHBLSA-N 484.556 6.384 50 10 JKGE CC[C@H](C)c1ccc(OCC(=O)NNC(=O)COc2ccccc2[C@@H](C)CC)c(Br)c1 14832191 FJIMDAQKMIBLJE-IRXDYDNUSA-N 491.426 5.081 50 10 JKGE CC[C@@H](C)c1ccc(OCC(=O)NNC(=O)COc2ccc([C@H](C)CC)cc2Br)cc1 14832324 FFAJWDXMBHDOND-IAGOWNOFSA-N 491.426 5.081 50 10 JKGE C/C(=N\NC(=O)[C@@H]1C[C@@H]1c1ccc(C(C)(C)C)cc1)c1ccc(NC(=O)c2ccc(Cl)cc2)cc1 20157888 HTARNNOWABQFGZ-NWXUMACRSA-N 488.031 6.534 50 10 JKGE CCCOc1ccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4ccccc4OCC)ccc32)cc1 38650721 SLTZGDAFPJDDGD-AREMUKBSSA-N 470.525 5.311 50 10 JKGE N#CC1=C(N)Oc2cc(OC(=O)COc3ccc(Cl)cc3)ccc2[C@H]1c1c(F)cccc1Cl 38680199 OLHVVFDPHWILPM-JOCHJYFZSA-N 485.298 5.335 50 10 JKGE CC(C)c1ccc(OCC(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@H]3c2c(F)cccc2Cl)cc1 38680618 UEGMGMMBJWKIHJ-VWLOTQADSA-N 492.934 5.805 50 10 JKGE CSc1ccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)COc4ccc(Cl)cc4C)ccc32)cc1 38682535 OPEDAURUYNUKFU-VWLOTQADSA-N 492.984 5.573 50 10 JKGE COc1ccccc1[C@H]1C(C#N)=C(N)Oc2cc(OC(=O)c3oc4ccc(C)cc4c3C)ccc21 38687291 BWGITCDGQMUQST-RUZDIDTESA-N 466.493 5.496 50 10 JKGE CCc1ccc2oc(C(=O)Oc3ccc4c(c3)OC(N)=C(C#N)[C@H]4c3ccccc3F)c(C)c2c1 38687980 OOLKUXIKQXSLLY-VWLOTQADSA-N 468.484 5.880 50 10 JKGE Cc1c(C(=O)N2c3ccc(F)cc3CC[C@H]2C)oc2c1/C(=N/NC(=O)Cc1ccccc1)CCC2 40815708 NUWWHAGNAHAWFP-XKXFLAFKSA-N 473.548 5.108 50 10 JKGE CC1=C(C#N)C(=O)N([C@H](C)c2ccccc2)C(=O)/C1=C/c1ccc(-c2cccc([N+](=O)[O-])c2)o1 101337799 QLKPJJPFUXBAIS-FEMWLQECSA-N 453.454 5.208 50 10 JKGE Fc1c(F)c(F)c([C@@H](Br)c2cc(Br)ccc2Br)c(F)c1F 109844402 PKKFBXDJRIFFPL-QMMMGPOBSA-N 494.877 6.391 50 10 JKGE O=c1[nH]c2cc(Br)c([C@@H](Br)c3ccc(Cl)c(Cl)c3)cc2[nH]1 109884510 UZFSOAPNNYLOTK-ZDUSSCGKSA-N 450.945 5.410 50 10 JKGE COc1ccc([C@H](Cl)c2cc(Br)c(C)cc2Br)cc1Br 128619828 GZAYMIHAHMVLDV-HNNXBMFYSA-N 483.425 6.619 50 10 JKGE Cc1cc(Br)c([C@@H](Br)Cc2ccc(F)cc2)cc1Br 128774361 ALGPCGAQVRSEKF-HNNXBMFYSA-N 450.971 6.338 50 10 JKGE Cc1cc(Br)c([C@@H](Br)c2c(Cl)cccc2Cl)cc1Br 128820287 XWWVAPIJDGZMQS-CQSZACIVSA-N 487.844 7.311 50 10 JKGE Fc1ccc([C@H](Cl)c2cc(Br)c(Br)s2)cc1Br 128879904 MCYQDUKXQKBPBW-JTQLQIEISA-N 463.391 6.503 50 10 JKGE COc1cc(Br)ccc1[C@@H](Br)c1ccc(F)c(Br)c1 135309181 HGYCXFTZDMTBOS-AWEZNQCLSA-N 452.943 5.844 50 10 JKGE Cc1c(/C=C(/C#N)C(=O)Nc2ncc(Cc3cc(Cl)ccc3Cl)s2)cc(C#N)n1C 212625377 MGBXMSQOZULOPX-WCSRMQSCSA-N 456.358 5.105 50 10 JKGE Brc1cc2c(c([C@@H](Br)c3ccccc3I)c1)OCC2 228443125 CWJZPTZIMLWVOL-AWEZNQCLSA-N 493.964 5.473 50 10 JKGE O=C(N[C@H]1CCCCC[C@H]1Br)c1cc(Br)sc1Br 232485408 IZTOJHOFCAISIQ-BDAKNGLRSA-N 460.029 5.099 50 10 JKGE COc1cc(C)c(Br)cc1[C@H](Cl)c1cc(Cl)ccc1I 234807119 SDHHVOVWAJQDKG-OAHLLOKOSA-N 485.974 6.352 50 10 JKGE Cc1cc(Br)c([C@H](Br)C2Cc3ccccc3C2)cc1Br 235962088 DXURMHYXMLMXGC-QGZVFWFLSA-N 459.019 6.371 50 10 JKGE Fc1ccc([C@H](Br)c2ccc(Cl)c(Cl)c2)c(I)c1 236248999 QVPKPISOOBNTHL-CYBMUJFWSA-N 459.911 6.221 50 10 JKGE CC(C)(C)c1cc(C=NNC(=O)c2cc(C(C)(C)C)c(O)c(C(C)(C)C)c2)cc(C(C)(C)C)c1O 252613515 JCMSLAUQJMAROW-UHFFFAOYSA-N 480.693 7.052 50 10 JKGE O=C(NN=C(c1ccccc1)c1ccc(C(F)(F)F)cc1)c1cc2ccccc2n1Cc1ccccc1 254289625 BBJIHCKSVHNEBU-UHFFFAOYSA-N 497.520 6.891 50 10 JKGE Cc1ccc(NC(=O)c2ccccc2NC(=O)C(=O)NN=Cc2cccc(Oc3ccccc3)c2)cc1 254761520 DPDLMIZIFRAGRR-UHFFFAOYSA-N 492.535 5.128 50 10 JKGE COc1cc(C=NNC(=O)c2cc3c(s2)CCCC3)ccc1OCc1ccc(Cl)cc1 254868252 SIBAXVLUJBXPRI-UHFFFAOYSA-N 454.979 5.632 50 10 JKGE CCOc1ccc(Br)cc1[C@H](Br)c1ccc(OCc2ccccc2)cc1 311748261 SUSXFBAVJJVGLY-JOCHJYFZSA-N 476.208 6.911 50 10 JKGE Brc1ccc([C@@H](Br)c2ccc(OCc3ccccc3)cc2)c2ccccc12 312700002 PCKAWKPNODWCCM-DEOSSOPVSA-N 482.215 7.666 50 10 JKGE O=C(OCc1ccccc1)N1C[C@@H](CBr)[C@@H](c2cc(Cl)ccc2Br)C1 382700131 CFIHOTBSQUTBBT-PBHICJAKSA-N 487.619 5.850 50 10 JKGE CCOc1cc(Cl)c([C@H](Br)c2ccccc2OCc2ccccc2)cc1Cl 383928782 UWCFSWHOVWHUKH-JOCHJYFZSA-N 466.202 7.455 50 10 JKGE COc1ccc([C@H](Br)c2cccc(OCc3ccccc3)c2)cc1Br 385895996 FDVWOCROKBEXMY-OAQYLSRUSA-N 462.181 6.521 50 10 JKGE CC(C)(C)SCCOc1c(Br)cc(Br)cc1CBr 385909669 HTBPUHCJCBHYFY-UHFFFAOYSA-N 461.057 6.017 50 10 JKGE Cc1ccccc1C[C@@H](CBr)Cc1cc(Cl)ccc1I 405525027 KNQUBKQMOOXBOJ-CYBMUJFWSA-N 463.584 6.049 50 10 JKGE O=C(NSSc1ccccc1-c1ccccc1NC(=O)c1ccccc1)c1ccccc1 585668168 QNMSHMYQBHZOGA-UHFFFAOYSA-N 456.592 6.691 50 10 JKGE CN(C(=O)OC(C)(C)C)c1ccccc1[C@H]1CN(CCO[Si](C)(C)C(C)(C)C)CCO1 616645576 RQEWVOWIHRMNIT-OAQYLSRUSA-N 450.696 5.453 50 10 JKGE O=C(N[C@@H](CBr)Cc1ccccc1)c1scc(Br)c1Br 705416749 AWVOCUQYNHVSRT-SNVBAGLBSA-N 482.035 5.009 50 10 JKGE FC(F)(F)C(F)(F)C[C@@H](Br)c1cc(Br)sc1Br 713276881 SOLOHXLNMIAJRT-SCSAIBSYSA-N 466.889 6.297 50 10 JKGE CCOc1ccc(S(=O)(=O)Nc2ccc(C(=O)NN=C/C=C(\C)CCC=C(C)C)cc2)cc1 886005266 ZGYVXVAOZZEXOZ-FAVMWONFSA-N 469.607 5.294 50 10 JKGE CCOc1cc(C=NNC(=O)c2ccccc2O)ccc1OC(=O)c1sc2ccccc2c1Cl 1083875714 WPGBSNXXYAPBLT-UHFFFAOYSA-N 494.956 5.642 50 10 JKGE COc1cc(/C=C(/C#N)C(=O)Nc2ccc(C)cc2)ccc1OCc1ccc(Br)cc1 1083985403 UMXSUSHRDQMKAK-MOSHPQCFSA-N 477.358 5.891 50 10 JKGE O=C(C=C(Sc1ccccc1)Sc1ccccc1)NN=Cc1cc([N+](=O)[O-])ccc1O 1084038866 AKNSSGKVWODRHD-UHFFFAOYSA-N 451.529 5.177 50 10 JKGE CC(=NNC(=O)[C@@H](C)Sc1ccc(Cl)cc1)c1cccc(NC(=O)c2ccccc2)c1 1084619279 ZGSLHINJQMDHPI-QGZVFWFLSA-N 451.979 5.613 50 10 JKGE Fc1ccc([C@H]2CN(Cc3ccccc3)C[C@H]2CI)cc1C(F)(F)F 1614627308 UWBHYAIXOISUOB-HZPDHXFCSA-N 463.256 5.495 50 10 JKGE CCCCCCOc1ccc(C=NNC(=O)COc2ccc(Br)cc2C(C)(C)C)cc1 1772754225 QPDMIKYTLHGACF-UHFFFAOYSA-N 489.454 6.235 50 10 JKGE Cc1nn(-c2ccc(Br)cc2)c2c1[C@H](c1cccc3ccccc13)C(C#N)=C(N)O2 1865682352 MRZSUZLRPVFZEZ-JOCHJYFZSA-N 457.331 5.315 50 10 JKGE COc1ccc(-c2nn(CC(C)C)c3c2[C@H](c2cccc(Br)c2)C(C#N)=C(N)O3)cc1 1865683223 ATAHYDCXUPLYNO-HXUWFJFHSA-N 479.378 5.195 50 10 JKGE CCOc1cccc([C@@H]2C(C#N)=C(N)Oc3c2c(-c2ccccc2)nn3-c2ccc(OC)cc2)c1 1865689673 CGGKHXGDKCPABR-XMMPIXPASA-N 464.525 5.165 50 10 JKGE CCCc1nn(Cc2ccccc2)c2c1[C@H](c1ccc(OCc3ccccc3)cc1)C(C#N)=C(N)O2 1865690588 WKCUJWKNHTURSC-HHHXNRCGSA-N 476.580 5.681 50 10 JKGE CCCCOc1ccc([C@H]2C(C#N)=C(N)Oc3c2c(C)nn3Cc2ccccc2Cl)cc1OC 1865695863 AAMANQLGOABMFE-DEOSSOPVSA-N 478.980 5.299 50 10 JKGE N#CC1=C(N)Oc2c(c(-c3ccccc3)nn2Cc2ccc(Cl)c(Cl)c2)[C@@H]1c1ccncc1 1865700257 OAIGUYITCJFWOG-OAQYLSRUSA-N 474.351 5.518 50 10 JKGE COc1ccc(-c2nn(-c3ccc(C)cc3)c3c2[C@H](c2cccc(OC)c2OC)C(C#N)=C(N)O3)cc1 1865701445 VVKVVAHKMWOPSP-XMMPIXPASA-N 494.551 5.092 50 10 JKGE CC(C)Oc1ccccc1[C@H]1C(C#N)=C(N)Oc2c1c(-c1ccccc1)nn2Cc1ccccc1F 1865704623 AFAVCUCFNNVIJE-VWLOTQADSA-N 480.543 5.743 50 10 JKGE CC(C)C[C@@H](NC(=O)/C(C#N)=C/c1ccc(Br)cc1)C(=O)Nc1ccc2ccccc2c1 1866128843 PCBLVIDNWPLCTG-JRXNCPAPSA-N 490.401 5.679 50 10 JKGE COC(=O)c1c(NC(=O)/C(C#N)=C/c2ccc(OC)c(OC)c2)sc(C)c1-c1ccc(C)cc1 1866130196 GQTFZFQFLCWOFA-XDHOZWIPSA-N 476.554 5.381 50 10 JKGE CCc1nc(Nc2ccc(SC#N)cc2)cc(N2CCC(Oc3cccc(Cl)c3)CC2)n1 1868277840 JZAJKCJERMWHKX-UHFFFAOYSA-N 466.010 6.057 50 10 JKGE CCOc1cc(/C=C(\C#N)c2ccc(C(=O)OC)o2)ccc1OCc1ccc(Br)cc1 1872728855 XWZXKTXWCWMFQI-LDADJPATSA-N 482.330 5.871 50 10 JKGE CCCCc1ccc(-c2csc(/C(C#N)=C(\O)[C@@H](C(C)C)N3C(=O)c4ccccc4C3=O)n2)cc1 1872744832 KKIQSFGIQBTVCK-FOSWXRMZSA-N 485.609 6.266 50 10 JKGE Cc1ccc(C)c(-c2csc(/C(C#N)=C(\O)c3ccccc3I)n2)c1 1872749946 OVLWLWIQEVQZAH-MNDPQUGUSA-N 458.324 5.981 50 10 JKGE COc1cc(/C(O)=C(\C#N)c2nc(-c3ccc(C(C)(C)C)cc3)cs2)c([N+](=O)[O-])cc1OC 1872750855 NBINWBWGAPWRJS-XLNRJJMWSA-N 465.531 5.983 50 10 JKGE Brc1ccc(OCc2ccccc2)c([C@H](Br)[C@@H]2C[C@@H]2Br)c1 1886850158 ZLBQSZDRJJFWEJ-UKPHBRMFSA-N 475.018 6.248 50 10 JKGE CC1(C)COc2c([C@@H](Br)[C@H]3C[C@H](Br)C3)cc(Br)cc21 1887748813 MESNTJOMPLWFKZ-RVBZMBCESA-N 453.012 5.729 50 10 JKGE Cl[C@H](c1cc(Br)co1)c1ccc(OCc2ccccc2)cc1Br 1899864207 YFKXDAHKEIDVSS-SFHVURJKSA-N 456.561 6.712 50 10 JKGE CC[C@@H](Br)CN(Cc1ccccc1)C(=O)c1ccc(OC)c(Br)c1 1915089630 AYWXCCRYXHIELU-MRXNPFEDSA-N 455.190 5.274 50 10 JKGE CC(C)(CBr)N(Cc1ccccc1)C(=O)c1cc(Br)ccc1Cl 1915753776 LKRFZNAXVOEZJU-UHFFFAOYSA-N 459.609 5.918 50 10 JKGE Clc1c(Br)sc(Br)c1[C@H](Cl)c1ccc2sccc2c1 1923039756 QQCMHMMVWMMHDK-SNVBAGLBSA-N 457.039 7.469 50 10 JKGE Cc1cc([C@H](Br)c2c(Br)sc(Br)c2Cl)ccc1F 1923041217 ZPPJNCWQARLMGT-VIFPVBQESA-N 477.418 6.858 50 10 JKGE COc1ccc([C@@H](Cl)c2c(Br)sc(Br)c2Br)cc1 1924585994 SNEAESGVANTTSB-SNVBAGLBSA-N 475.427 6.372 50 10 JKGE Fc1cc([C@H](Cl)c2c(Cl)sc(Br)c2Cl)ccc1Br 1925588155 NRBWSLIFLJKDJQ-QMMMGPOBSA-N 453.385 7.047 50 10 JKGE Fc1ccc(I)cc1[C@@H](Cl)c1cc(Br)c(Cl)s1 2003649228 HYROYVDJEMOIOD-SNVBAGLBSA-N 465.940 6.236 50 10 JKGE CC1(C)CC[C@@H](Br)CN1C(=O)c1cc(Br)sc1Br 2038524437 HCNDFEITVMPNHY-SSDOTTSWSA-N 460.029 5.051 50 10 JKGE CN(c1ccc(Br)cc1CBr)[C@@H]1CC(C)(C)[C@@H]1OCc1ccccc1 2038794284 JVLOOVUQAVCABE-WOJBJXKFSA-N 467.245 6.164 50 10 JKGE Cc1ccc(Cl)cc1[C@H](Br)c1ccc(Br)cc1Br 2083336883 FNOXQEWBXJLXHJ-CQSZACIVSA-N 453.399 6.658 50 10 JKGE CSc1ccccc1[C@@H](Br)c1ccc(Br)cc1Br 2083337402 IOKHDWCBKUMMGW-AWEZNQCLSA-N 451.021 6.418 50 10 JKGE Brc1cccc(Br)c1[C@@H](Br)c1ncn2ccsc12 2083991334 NSZXIXKEKBADQX-SNVBAGLBSA-N 450.981 5.405 50 10 JKGE COc1c(Cl)cc(-c2csc(/C(C#N)=C(\O)C(C#N)=Cc3ccccc3)n2)cc1Cl 2084354284 FDXBZBCDUHTQNB-QSDLUPAZSA-N 454.338 6.525 50 10 JKGE Clc1ccc(CC(CBr)(CBr)C2CCCC2)c(Br)c1 2088516953 LWZHUVCXRBJRMV-UHFFFAOYSA-N 473.474 6.611 50 10 JKGE Brc1cnsc1[C@H](Br)c1cc(Br)c2c(c1)CCCO2 2088930706 UKSSWHSIGFNPSY-LLVKDONJSA-N 468.008 5.477 50 10 JKGE Cc1cc(Br)ccc1[C@H](Br)c1cc(Br)c(Cl)cc1F 2097835816 VDYZRHBNAQTFFZ-AWEZNQCLSA-N 471.389 6.797 50 10 JKGE CC(C)(C)N1C[C@@H](Br)[C@H](Cc2c(Br)cccc2Br)C1 2100730208 JAVVHXHRSCYXED-QMTHXVAHSA-N 454.044 5.248 50 10 JKGE COc1c(C)cc(Br)c(C)c1[C@@H](Br)c1cc(Br)cs1 2115924923 NTRDCPZTFXHZGK-ZDUSSCGKSA-N 469.036 6.383 50 10 JKGE CC(C)(C)[C@H]1[C@@H](Br)CCN1Cc1cc(Br)ccc1Br 2128686533 JFXMKULAGFQRNX-UONOGXRCSA-N 454.044 5.596 50 10 JKGE CC12CCC([C@H](Br)c3cc(Br)ccc3Br)(CC1)CO2 2133546384 RQBGZRDWXMXTMF-WLYUNCDWSA-N 453.012 5.997 50 10 JKGE BrC[C@H]1CCN(Cc2c(Br)cccc2Br)C12CCC2 2133810615 NRMVGNVXYRHRSP-LLVKDONJSA-N 452.028 5.351 50 10 JKGE Cc1cc(Br)c(C)c([C@@H](Br)c2cnc(Cl)n2C)c1Br 2136367392 QJCHRFXVJTUKOV-LBPRGKRZSA-N 471.418 5.700 50 10 JKGE Brc1cc2c(cc1[C@@H](Br)c1sncc1Br)OCCCO2 2145176962 GDJRPHOCWWNZQH-GFCCVEGCSA-N 484.007 5.314 50 10 JKGE Fc1cc2c(cc1I)nc(CCl)n2CCc1cnn(Cc2ccccc2)c1 2146279671 STASFBHBOVAIED-UHFFFAOYSA-N 494.739 5.006 50 10 JKGE Fc1cc(Br)cc(CCl)c1OCc1cccc(Br)c1Br 2148748850 FXGBKVOWUVZTIW-UHFFFAOYSA-N 487.388 6.431 50 10 JKGE C[C@H](Cl)c1nc2cc(Br)c(Cl)cc2n1C1(CCOCc2ccccc2)CC1 2160078788 MBMKIMMCCNUASP-AWEZNQCLSA-N 468.222 6.848 50 10 JKGE CC[C@H]1CN(C[C@H](CBr)c2ccccc2)[C@H](CC)CN1C(=O)OCc1ccccc1 2162985597 HWTNWJRFUBXNMF-VXNXHJTFSA-N 473.455 5.677 50 10 JKGE CC(C)(C)OC(=O)N[C@H]1CCN(CCCCCCCCCBr)CCC1(F)F 2163058917 OWLQUAGQXAKACI-KRWDZBQOSA-N 455.428 5.736 50 10 JKGE F[C@H](C(F)(F)F)C(F)(F)Oc1c(Br)cc(CCl)cc1Br 2175180543 CXFRJDDKZPLCKF-MRVPVSSYSA-N 450.398 5.822 50 10 JKGE BrCc1cc(Br)c(OC[C@@H]2C[C@@H]3CC[C@H](C2)O3)c(Br)c1 2181273524 AQOJOUFCZYKNKE-ZSBIGDGJSA-N 469.011 5.443 50 10 JKGE CCc1nn(C)c([C@H](Br)c2cc(Br)ccc2OC)c1Br 2192384654 JIAVCXNQTAQAFV-GFCCVEGCSA-N 466.999 5.000 50 10 JKGE Cc1cc(Br)c(C)c([C@@H](Br)C(F)(F)C2CCCC2)c1Br 2201074452 RRFLOMAOWMIXJX-CQSZACIVSA-N 475.009 7.090 50 10 JKGE Cc1c(Br)ccc([C@H](Br)c2c(F)ccc(F)c2F)c1Br 2203690540 DUXZMEADHONJQF-ZDUSSCGKSA-N 472.924 6.422 50 10 JKGE COc1c(C)cc(Br)cc1[C@H](Cl)c1ccc(F)cc1I 2206587601 SPOICBAMATUJPP-CQSZACIVSA-N 469.519 5.838 50 10 JKGE COc1cc(F)c([C@H](Br)c2ccc(I)c(C)c2)c(F)c1 2207105615 VMBKTYGXRZPOTJ-OAHLLOKOSA-N 453.064 5.371 50 10 JKGE Cc1sc(C(=O)N(Cc2ccccc2)[C@@H](CBr)C(C)C)c(C)c1Br 2213743912 GPUWRYNEHIGALZ-INIZCTEOSA-N 473.274 6.189 50 10 JKGE Cc1sc(Br)c(C)c1[C@H](Br)c1cc(F)cc(Br)c1 2218801134 RATCLGDGZPVIIH-GFCCVEGCSA-N 457.000 6.513 50 10 JKGE Fc1cc(Br)c(Br)cc1[C@H](Br)[C@H]1CC[C@H]2C[C@H]1CO2 2225615324 GIGNQAKEORNZII-OSGJSWLFSA-N 456.975 5.602 50 10 JKGE Cc1cc(Br)c([C@H](Br)[C@H]2CCC3(CC3)C2)c(C)c1Br 2227347881 LAEROQIVYSDFSC-XHDPSFHLSA-N 451.040 6.845 50 10 JKGE C[C@@H]1CCC[C@@H]([C@H](Br)c2c(Br)cc(Cl)c(Cl)c2Cl)CC1 2232529659 YIQPHIBQVBEOMB-KKFJDGPESA-N 463.468 8.062 50 10 JKGE COc1c(C)cc(Br)cc1[C@H](Cl)c1ccc(C)c(I)c1 2232835805 YSRDSBQFDULAAH-OAHLLOKOSA-N 465.556 6.007 50 10 JKGE Cc1cc(Br)c([C@@H](Cl)c2c(Br)c(C)nn2C)c(C)c1Br 2235611999 MLKKPMCMESIITI-CYBMUJFWSA-N 485.445 5.961 50 10 JKGE COc1cc(Br)c([C@@H](Br)c2ccc(Br)c(C)c2)cc1C 2236007451 JHHRMTKLUXVXQD-INIZCTEOSA-N 463.007 6.321 50 10 JKGE O=C(Nc1ccc(Cl)cc1CBr)c1cc(Br)cc(Br)c1 2239465368 WVUJUOKJERLNIV-UHFFFAOYSA-N 482.397 6.012 50 10 JKGE FC(F)(F)Oc1ccc(Cl)cc1[C@H](Br)c1ccc(Br)s1 2239617319 DMTSWNZWTJTZBC-NSHDSACASA-N 450.501 6.547 50 10 JKGE Fc1ccc([C@H](Br)c2scc(Br)c2Cl)cc1Br 2246467985 ZERNJNCRRHBXOP-VIFPVBQESA-N 463.391 6.550 50 10 JKGE CCN(C[C@](C)(CBr)OCc1cc(Br)ccc1Cl)C(=O)OC(C)(C)C 2263389216 KNWIROLMTRPIRZ-SFHVURJKSA-N 499.671 6.030 50 10 JKGE CC(C)c1cc(Br)cc(CNCCSSCCNC(=O)OC(C)(C)C)c1 2265992739 UEOOZLLWLVWVPT-UHFFFAOYSA-N 463.507 5.568 50 10 JKGE Fc1cccc(I)c1[C@H](Br)Cc1cc(Cl)cc(Cl)c1 2267649279 BBSAHFCVCDHJSB-LLVKDONJSA-N 473.938 6.416 50 10 JKGE Fc1cc(Br)c(Cl)cc1[C@H](Cl)c1c(F)cccc1I 2267736695 DOCRRPAWZLRLNZ-ZDUSSCGKSA-N 477.901 6.314 50 10 JKGE COCC1([C@@H](Br)c2c(F)cc(Br)c(F)c2Br)CCC1 2272722335 RZGYDQUWKBAKMO-LBPRGKRZSA-N 462.954 5.743 50 10 JKGE Fc1cc(Br)c(F)c(Br)c1[C@H](Br)[C@H]1CCC12CCC2 2272723518 GILYCOQSABBAMF-RDDDGLTNSA-N 458.966 6.506 50 10 JKGE Fc1cc(C[C@@H](Br)c2c(F)cccc2I)ccc1Cl 2277786662 CRQGAKHVIVFFHW-SECBINFHSA-N 457.483 5.902 50 10 JKGE COc1c(Br)cc(Cl)cc1[C@@H](Cl)c1scc(Br)c1Cl 2277977664 RCWXNGPADNIRCW-SECBINFHSA-N 465.421 6.917 50 10 JKGE Cc1cc(Br)c([C@H](Br)c2ccc(Cl)cc2Br)c(C)c1F 2279147292 TTWDQDWNRCLZGK-CQSZACIVSA-N 485.416 7.105 50 10 JKGE Fc1cc(Br)c(F)c(Br)c1[C@H](Br)[C@@H]1COC2(CCC2)C1 2288352800 HRJMYAWCTOGGGF-WRWORJQWSA-N 474.965 5.885 50 10 JKGE FC(F)C1(CBr)CCN(Cc2c(Br)cccc2Br)CC1 2289890534 UFFCMADVDULONY-UHFFFAOYSA-N 475.997 5.454 50 10 JKGE C[C@@H](Br)CN(C(=O)Cc1cc(Br)cc(Br)c1)C(C)(C)C 2295314130 UDNUGMKREMFPMK-SNVBAGLBSA-N 470.043 5.165 50 10 JKGE C=CCOc1ccc(-c2nn(-c3ccccc3)cc2C=C(C#N)C(=O)Nc2ccc(C)c(C)c2)c(C)c1 2296720345 UNCACSVNYXQJQH-UHFFFAOYSA-N 488.591 6.575 50 10 JKGE Cc1cccc(C[C@H]2SC(=C(C#N)C(=O)NCc3ccccc3)N(c3ccc(Cl)cc3)C2=O)c1 2296834998 LAKLKASKMCQIAK-XMMPIXPASA-N 488.012 5.391 50 10 JKGE N#CC(=Cc1ccc([N+](=O)[O-])cc1)C(=O)N1N=C2C(=Cc3ccccc3)CCC[C@@H]2[C@@H]1c1ccccc1 2297021092 MYIRVKFXDUJNEP-YTMVLYRLSA-N 488.547 6.325 50 10 JKGE CCCCCCCCCCN=Cc1cc([N+](=O)[O-])ccc1OC(=O)c1ccccc1C(=O)O 2297321412 RMGCPMDIKUVGHV-UHFFFAOYSA-N 454.523 6.072 50 10 JKGE Cc1ccc(C=C(C#N)c2nc(-c3cccs3)c(NC(=O)c3ccc(Cl)cc3)s2)cc1 2297497906 FZNJCCNVAHKCHT-UHFFFAOYSA-N 461.999 7.150 50 10 JKGE Brc1ccc(OCc2ccccc2)c([C@H](Br)[C@H]2C[C@H]2C2CCC2)c1 2299499765 ZWLLRAOFZQYSEY-BBTUJRGHSA-N 450.214 6.900 50 10 JKGE CCN[C@H](c1ccc(OCc2ccccc2)cc1Br)C1CC(Br)C1 2299525384 NCBCDVJDONGJKH-PMTKGXAQSA-N 453.218 5.852 50 10 JKGE C=CCOc1c(I)cc(C=C(C#N)C(=O)Nc2ccc(C)cc2C)cc1OC 2313518133 LVEUAKORBJYXSY-UHFFFAOYSA-N 488.325 5.027 50 10 JKGE N#CC(=Cc1cc(Br)cc(Br)c1O)C(=O)Nc1ccccc1Cl 2313518977 IRSCYDTURZAXFQ-UHFFFAOYSA-N 456.521 5.116 50 10 JKGE CCOc1cc(C=C(C#N)C(=O)Nc2cc(Cl)ccc2C)ccc1OCc1cccc(C)c1 2313681112 JOZUQRPIKHZNHY-UHFFFAOYSA-N 460.961 6.480 50 10 JKGE Fc1ccc([C@@H](Br)c2ccc(OCc3ccccc3)cc2Br)c(Cl)c1 2314449605 RFOUCKLHQZKNOR-FQEVSTJZSA-N 484.590 7.305 50 10 JKGE Cc1ccccc1C[C@@H]1SC(=C(C#N)C(=O)NCc2ccco2)N(c2ccc(C(C)C)cc2)C1=O 2314593007 FSDPLMFLHIXCFE-VWLOTQADSA-N 485.609 5.454 50 10 JKGE CNC(=O)C(C#N)=C1S[C@H](Cc2ccc(Cl)cc2Cl)C(=O)N1c1ccc(C(C)C)cc1 2314593423 MTZDVJAUAKZWFP-HXUWFJFHSA-N 474.413 5.289 50 10 JKGE COc1cccc([C@@H](Br)c2sc(Cl)cc2I)c1Cl 2316600751 KCLBYRBLDQNQCH-SNVBAGLBSA-N 477.976 6.152 50 10 JKGE Cc1cc(Br)c(F)c(Br)c1[C@H](Br)[C@@H](C)C(C)(F)F 2317429346 QSJHXOFZOVXDRS-HZGVNTEJSA-N 452.934 6.386 50 10 JKGE CC(C)c1cccc([C@H](Br)c2sc(Br)cc2Br)c1 2320572333 UOZANDNPCXXJEV-ZDUSSCGKSA-N 453.037 6.881 50 10 JKGE C[C@@H]1CC[C@@H](CBr)CN1Cc1ccc(I)c(Br)c1 2325224427 XCFIBEWWXDGVSK-PWSUYJOCSA-N 487.017 5.049 50 10 JKGE CCOC(=O)c1cc(-c2ccccc2)sc1NC(=O)C(C#N)=Cc1ccc(Br)cc1 2329663766 MIGYOXSKEAFXOL-UHFFFAOYSA-N 481.371 5.900 50 10 JKGE CCOc1cc(C=C(C#N)c2nc(-c3cccs3)cs2)ccc1OCC(=O)N(CC)CC 2331450849 ISJRLQUIRZKJKC-UHFFFAOYSA-N 467.616 5.582 50 10 JKGE COc1cc(C=C(C#N)c2nc(-c3c[nH]c4ccccc34)cs2)ccc1OCCc1ccccc1 2331460158 SEAYXFKLUYJFEY-UHFFFAOYSA-N 477.589 6.986 50 10 JKGE COc1cc(C=C(C#N)c2nc(-c3ccc(OC)c4ccccc34)cs2)cc(Br)c1O 2331489356 UZQZLEQVXAJORZ-UHFFFAOYSA-N 493.382 6.513 50 10 JKGE Brc1cc(OCc2ccccc2)ccc1[C@H](Br)C1CC2(CCCCC2)C1 2336056972 NQPJVJBFIVRTFC-JOCHJYFZSA-N 478.268 7.825 50 10 JKGE CC1(C)COC[C@H]1[C@H](Br)c1c(Br)cc(Cl)c(Cl)c1Cl 2336199842 GHEPVLXQFNHJGI-WKEGUHRASA-N 451.413 6.518 50 10 JKGE Clc1ccc(CN2CC[C@H]3CC[C@H](Br)[C@H]2C3)cc1I 2337223282 KGKFSPQSQMWORV-IFUGULHKSA-N 454.577 5.083 50 10 JKGE Clc1c(Br)sc(Br)c1[C@@H](Cl)[C@H]1COC2(CCC2)CO1 2338784769 QRZRNXUASOREAW-SVRRBLITSA-N 451.007 5.545 50 10 JKGE Cn1nc(Br)c(Br)c1[C@@H](Br)c1ccc(C2CCC2)s1 2338867321 MOQVHCBCAVHLOS-JTQLQIEISA-N 469.040 5.758 50 10 JKGE Cc1cc(Br)c(F)c(Br)c1[C@H](Br)C[C@@H]1C[C@H]1C1CC1 2339645561 JDWGEKGXUUWEHM-GARJFASQSA-N 455.003 6.531 50 10 JKGE CC1CC2(C1)CC(CCl)(Cc1ccc(I)c(Br)c1)C2 2349842521 YHSFGWYZTJUVLG-UHFFFAOYSA-N 453.589 6.032 50 10 JKGE O=C(c1scc(Br)c1Br)N1[C@H]2CCCC[C@H]2C[C@@H]1CBr 2358971198 NHXSJLOLXXOWGQ-NGZCFLSTSA-N 486.067 5.441 50 10 JKGE CC1(C)CO[C@H](C[C@@H](Br)c2c(Cl)cc(Br)c(F)c2Br)C1 2362225526 QHPLICHXYQCQAQ-HTQZYQBOSA-N 493.436 6.645 50 10 JKGE Fc1c(Br)cc(Cl)c([C@@H](Br)C2CC3(C2)CC32CC2)c1Br 2362232601 PUMKFLHEFAQUQK-MLUFTHPKSA-N 487.432 7.020 50 10 JKGE Cc1cc(Br)c([C@H](Br)[C@@H]2COC3(CCC3)CO2)cc1Br 2364135921 QKGXUTOELLKUFC-KBPBESRZSA-N 469.011 5.294 50 10 JKGE COc1c(Br)cc(C)c([C@H](Br)C[C@@H]2CC[C@H]2OC)c1Br 2365193687 KCZPBWZHLVYAAP-HOSYDEDBSA-N 471.027 5.780 50 10 JKGE COc1c(Br)cc(C)c([C@H](Br)C[C@@H]2CC[C@H](C)O2)c1Br 2365216547 VMMIZRIBOSGCMX-GARJFASQSA-N 471.027 5.922 50 10 JKGE Cc1cc(Br)c(F)c(Br)c1[C@H](Br)[C@H]1CO[C@]2(C)C[C@H]1C2 2365227122 BTMQAALSZOLYBN-VYAUBPEHSA-N 471.002 5.910 50 10 JKGE CC(C)[C@@H](OC(=O)Nc1ccc(I)cc1)C(C)(C)CBr 2366083960 WEGFZEZIRAJGCH-CYBMUJFWSA-N 454.146 5.285 50 10 JKGE C[C@H]1CC2CC([C@H](Br)c3c(Br)cc(Cl)c(Cl)c3Cl)(C2)O1 2368039876 OICHCIKHOOYNPY-VVPBMUBNSA-N 463.424 6.803 50 10 JKGE CC(C)(C)OC(=O)N1C[C@H](I)[C@@H](OC[C@@H](c2ccccc2)C2CCCC2)C1 2368354203 LFSQTTNCMDDIGM-UFYCRDLUSA-N 485.406 5.400 50 10 JKGE CC(C)(C)Oc1ccc([C@H](Br)c2cc(Br)sn2)cc1Br 2381319018 GXPOTLBJNLVITD-ZDUSSCGKSA-N 484.051 6.330 50 10 JKGE CC(C)C[C@@H](CBr)CN1CC[C@H](C(F)(F)F)C[C@@H]1CNC(=O)OC(C)(C)C 2382175682 ISFMOHDBXIERPU-HRCADAONSA-N 459.391 5.211 50 10 JKGE COc1cccc(N/C(SCc2c(F)cccc2Cl)=C(/C#N)C(=O)NCc2ccccc2)c1 3052530 CATBBYHSPBIVML-LKUDQCMESA-N 481.980 5.885 50 10 JKGE O=C(NNc1ncnc2c1cnn2-c1ccc(Cl)c(Cl)c1)c1ccc(Cl)cc1Cl 10387053 CQEYFJWOLMCOIS-UHFFFAOYSA-N 468.131 5.186 50 10 JKGE CSc1sc(C)cc1[C@H]1C(C#N)=C(N)N(c2ccc([N+](=O)[O-])cc2Cl)C2=C1C(=O)CCC2 27550433 PGFZGSRJXBZZTG-IBGZPJMESA-N 487.006 5.645 50 10 JKGE N#C/C(=C\c1ccc(-c2cc(Cl)ccc2Cl)o1)c1nc(-c2cccc3ccccc23)cs1 28356778 TWRTWBXPRGWPCK-SFQUDFHCSA-N 473.384 8.594 50 10 JKGE N#C/C(=C/c1ccccc1[N+](=O)[O-])c1nc(-c2cc3c(ccc4ccccc43)oc2=O)cs1 33391224 OUEJPOQGUWLYJM-BOPFTXTBSA-N 451.463 6.042 50 10 JKGE Cc1ccc(N(C(=O)CCl)[C@H](C(=O)N[C@H]2CCCC[C@H]2C)c2ccccc2Cl)cc1C 33404648 MXBROKXCOQHDBE-UWSIMGETSA-N 461.433 5.965 50 10 JKGE CCCOc1ccc(/C=C(/C#N)C(=O)Nc2sc3c(c2C(=O)OCC)CC[C@@H](C(C)(C)C)C3)cc1 33596176 YRBTXVKNGQFFMQ-RMWKRFJVSA-N 494.657 6.410 50 10 JKGE CCCCOc1cccc(/C=C(/C#N)C(=O)Nc2ncc(Cc3cccc(C(F)(F)F)c3)s2)c1 34882415 BVQNARTWSIVUOT-ODLFYWEKSA-N 485.531 6.477 50 10 JKGE CCOC(=O)c1c(NC(=O)/C(C#N)=C\c2cn(-c3ccccc3)nc2-c2ccccc2)sc(C)c1C 35484933 TUJQQTNVTRDDKO-QNGOZBTKSA-N 496.592 5.940 50 10 JKGE CSc1ccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)COc4c(C)cccc4C)ccc32)cc1 38682382 DUPSPOAACNETOA-VWLOTQADSA-N 472.566 5.228 50 10 JKGE Nc1c(NNC(=O)c2ccc(Cl)cc2Cl)ncnc1Nc1cc(C(F)(F)F)ccc1Cl 40682702 VUURYJFLMQWPEF-UHFFFAOYSA-N 491.688 5.538 50 10 JKGE Cc1ccccc1C(=O)N/N=C1\CCCc2oc(C(=O)Oc3ccc(Cl)cc3Cl)c(C)c21 40811557 SGDAYACLFPRLHB-OVVQPSECSA-N 471.340 5.893 50 10 JKGE COc1cc(/C=C(\C#N)c2ccc(Cl)cc2)ccc1OC(=O)c1cc([N+](=O)[O-])c(C)c([N+](=O)[O-])c1 40884455 ANNHJTBIUYSSOH-GIJQJNRQSA-N 493.859 5.757 50 10 JKGE Cc1cc(O[C@H](C)C(=O)N/N=C/c2ccc(OCc3ccccc3Cl)cc2)cc(C)c1Cl 40960304 AHDFQQKUBSAONQ-UETRGQPKSA-N 471.384 6.107 50 10 JKGE O=C(c1ccccc1Br)N(/N=N/c1cccc([N+](=O)[O-])c1)c1cccc([N+](=O)[O-])c1 59464967 RRBCYZDQVFDVNP-QURGRASLSA-N 470.239 5.611 50 10 JKGE COc1ccc(-c2csc(/C(C#N)=C\Nc3ccccc3I)n2)cc1OC 100302502 ODGGEKZUZAZVQI-KAMYIIQDSA-N 489.338 5.408 50 10 JKGE COc1ccccc1OCCOc1ccc(/C=C(/C#N)C(=O)Nc2nc3ccccc3s2)cc1 102444185 KLWYZIQPIPXWLY-MNDPQUGUSA-N 471.538 5.308 50 10 JKGE CCOC(=O)c1c(N/C=C(\C#N)c2nc(-c3ccc(OC)cc3)cs2)sc2c1CCCC2 102461850 TWXNLUPXTIVVRX-DTQAZKPQSA-N 465.600 5.912 50 10 JKGE Cc1cc(C)cc(N/C(SCc2ccc(F)cc2)=C(\C#N)S(=O)(=O)c2ccccc2)c1 104689203 SVIOMIVBDCXMIG-VHXPQNKSSA-N 452.576 5.954 50 10 JKGE BrCC(CBr)(CCCc1ccccc1)c1ccccc1Br 118878971 FZPXDKSDLMGZTI-UHFFFAOYSA-N 475.062 6.500 50 10 JKGE Cl[C@H](c1ccc(I)cc1)c1ccc(Br)c2ccccc12 127530829 BXNWJSBDUPMSCF-QGZVFWFLSA-N 457.536 6.535 50 10 JKGE CC[C@H](c1ccccc1)[C@H](Br)c1cc(Br)c(Br)s1 128294574 YZKICVAOEHHUAY-MFKMUULPSA-N 453.037 6.903 50 10 JKGE COc1ccc([C@@H](Br)c2cc(Br)c(Br)s2)c(Cl)c1 128869346 BZTVJYYSTZCJEB-LLVKDONJSA-N 475.427 6.419 50 10 JKGE Clc1cc([C@H](Cl)c2ccc3cc(Br)ccc3c2)sc1Br 159681269 FKBKOLFGRZOECE-CQSZACIVSA-N 451.010 7.408 50 10 JKGE CCOc1cc(Cl)c([C@@H](Br)c2ccccc2I)cc1Cl 164562616 XQLDMVIHJIFGPO-HNNXBMFYSA-N 485.974 6.481 50 10 JKGE CCOC(=O)/C(C#N)=C\c1cccc(OC(=O)/C=C/c2ccc(OCc3ccccc3)cc2)c1 206690335 DRFWTVBYPUYCJR-WDALZOHFSA-N 453.494 5.354 50 10 JKGE C=CCN1C(=O)C(C#N)=C(C)/C(=C/c2cn(-c3ccccc3)nc2-c2ccc(OCCC)c(C)c2)C1=O 214352155 KRCUOGCGQQYKOX-UQQQWYQISA-N 492.579 5.415 50 10 JKGE CCCCOC(=O)c1ccccc1N/C=C(/C#N)C(=O)N[C@H](CC)c1ccc2c(c1)CCCC2 217189821 JRZQQGSDBVMMDP-PFSTYLAZSA-N 459.590 5.609 50 10 JKGE Clc1cc2c(c([C@H](Br)c3cc(Br)c(Br)s3)c1)OCC2 228451319 YTRDTAWHAUUDAY-NSHDSACASA-N 487.438 6.346 50 10 JKGE C[C@@H]1CCCC[C@@H]1NC(=O)[C@H](c1ccccc1Cl)N(Cc1ccc(F)cc1)C(=O)CCl 230275234 HXLLLOCDCJMOMF-HNKPZJSLSA-N 465.396 5.483 50 10 JKGE COc1cc(Cl)c([C@H](Cl)c2ccc(I)c(Cl)c2)cc1Cl 232345089 SZVKZNCYBUTDHU-CQSZACIVSA-N 461.941 6.588 50 10 JKGE O=C(c1cc(I)ccc1Br)[C@H](Cl)c1ccc(F)cc1 236199362 LMHCVPDHOCWRBR-CYBMUJFWSA-N 453.476 5.356 50 10 JKGE C[C@@H](Oc1ccc(OCc2ccccc2)cc1)C(=O)NN=Cc1c[nH]c2ccc(Br)cc12 252600525 DSCCPOIAZFWWQV-QGZVFWFLSA-N 492.373 5.427 50 10 JKGE CCCCOc1ccc(C(=O)NN=Cc2ccc(OC(=O)c3ccc(OC)cc3)c(OCC)c2)cc1 254289846 KQWOROQFTZQZBF-UHFFFAOYSA-N 490.556 5.256 50 10 JKGE CC(=NNC(=O)c1ccc(N(C)C)cc1)c1ccc(NC(=O)c2ccc(Cl)cc2Cl)cc1 254809233 ZDSUASSKZPGURW-UHFFFAOYSA-N 469.372 5.466 50 10 JKGE CC(=NNC(=O)CSCc1ccc(Cl)c(Cl)c1)c1ccc(NC(=O)C(F)(F)F)cc1 263632568 UCJBQCBDMOBSQB-UHFFFAOYSA-N 478.323 5.268 50 10 JKGE Cc1ccc(Br)cc1[C@H](Br)c1c(C)cc(C)c(Br)c1C 312325452 AMQXHDWDWAGDPP-KRWDZBQOSA-N 461.035 6.930 50 10 JKGE O=C(OCc1ccccc1)N1C[C@@H](CI)[C@@H](c2ccc(F)c(Cl)c2)C1 382691113 IGJSNTBEDFXDBK-HZPDHXFCSA-N 473.713 5.266 50 10 JKGE Fc1ccc([C@@H](Br)c2cc(Cl)c(Cl)c(Cl)c2Cl)c(Br)c1 404655978 NJULMUVPRZYORB-SNVBAGLBSA-N 481.801 7.686 50 10 JKGE CC1(C)COc2c([C@H](Br)c3occc3Br)cc(Br)cc21 688192758 IWIIHEAVPANJBT-LBPRGKRZSA-N 464.979 5.959 50 10 JKGE O=C(NCc1cccc(CBr)c1)c1scc(Br)c1Br 705421034 VZCCEWMUNHGUPH-UHFFFAOYSA-N 468.008 5.098 50 10 JKGE Cc1ccc(CC(CBr)(CBr)C2CCOCC2)cc1Br 711260635 YOZONSWTCJFNRB-UHFFFAOYSA-N 469.055 5.503 50 10 JKGE Cc1cc([C@H](Br)c2cccc(F)c2I)c(C)cc1Br 721693078 RBBYPCXLXQNVLE-CQSZACIVSA-N 497.971 6.294 50 10 JKGE COc1cc(C=NNC(=O)CC[C@H](O)c2ccccc2)ccc1OCc1ccc(Cl)c(Cl)c1 725381676 IQSRKVLTOSDNNW-QFIPXVFZSA-N 487.383 5.545 50 10 JKGE COc1ccc(Oc2ccc(C(F)(F)F)cc2[N+](=O)[O-])c(C=NNC(=O)c2ccccc2Cl)c1 1084054631 AFGOTFNIUYKHHA-UHFFFAOYSA-N 493.825 5.832 50 10 JKGE O=C(NN=C(CSc1nc2ccccc2s1)c1ccc(F)cc1)c1cccc(Cl)c1 1084570940 LUBABDLFIKNLDT-UHFFFAOYSA-N 455.967 6.015 50 10 JKGE CC(C)(C)c1cc(Br)ccc1OCC(=O)NN=Cc1ccc(Br)cc1 1772754367 ZQONDUMRBOLDPZ-UHFFFAOYSA-N 468.189 5.038 50 10 JKGE Cc1nn(-c2ccc(Br)cc2)c2c1[C@H](c1c(Cl)cccc1Cl)C(C#N)=C(N)O2 1865686363 UJVMHLTWUPUQIN-QGZVFWFLSA-N 476.161 5.468 50 10 JKGE CCCc1nn(-c2ccc(C)cc2)c2c1[C@H](c1ccc(OCC)c(OCC)c1)C(C#N)=C(N)O2 1865689109 JXIMUYFYTRRTHS-XMMPIXPASA-N 458.562 5.149 50 10 JKGE CCCOc1c(OC)cccc1[C@H]1C(C#N)=C(N)Oc2c1c(CCC)nn2-c1cccc2ccccc12 1865693858 RGNURAIMCREZQC-SANMLTNESA-N 494.595 5.994 50 10 JKGE N#CC1=C(N)Oc2c(c(-c3ccccc3)nn2-c2ccccc2Cl)[C@H]1c1c[nH]c2ccccc12 1865700242 NSQXCCCZORHORF-HSZRJFAPSA-N 463.928 5.892 50 10 JKGE Cc1ccc(C)c(Cn2nc(C(F)(F)F)c3c2OC(N)=C(C#N)[C@H]3c2ccc(F)cc2F)c1 1865702318 SJLGRZXEOZKSNM-GOSISDBHSA-N 460.406 5.063 50 10 JKGE COc1ccccc1[C@H]1C(C#N)=C(N)Oc2c1c(-c1ccccc1)nn2-c1cccc2ccccc12 1865709783 GSSKTMBNSNNVPJ-SANMLTNESA-N 470.532 5.919 50 10 JKGE Cc1ccc(CC(=O)N/N=C\c2cn(CCOc3ccc(Cl)cc3)c3ccccc23)c(C)c1 1865762276 XLULWLOKGYSLIU-RHANQZHGSA-N 459.977 5.683 50 10 JKGE Cc1ccc(-c2nc(CC(=O)N[C@H](C(=O)Nc3ccc(SC#N)cc3)c3ccccc3)c(C)o2)cc1 1866651767 IEKHPWQWPPNOOR-SANMLTNESA-N 496.592 5.570 50 10 JKGE CC[C@H](C(=O)N[C@H](Cc1ccc(F)cc1)C(=O)Nc1ccc(SC#N)cc1)c1ccc(Cl)cc1 1866951671 UIECDNJZZDVPHY-BJKOFHAPSA-N 496.007 5.912 50 10 JKGE Cc1ccccc1CCCC(=O)N[C@H](Cc1ccccc1)C(=O)Nc1ccc(SC#N)cc1 1867121429 JLQLNMUYRHDWLA-RUZDIDTESA-N 457.599 5.257 50 10 JKGE Cc1ccccc1-c1nc(Nc2ccc(SC#N)cc2)cc(N2CCC[C@H](Oc3ccccc3)C2)n1 1868301342 OLXCJTIMJCAGRN-DEOSSOPVSA-N 493.636 6.817 50 10 JKGE COc1cc2nc(/C(C#N)=C/c3ccc(OCc4cccc(Cl)c4)cc3)nc(O)c2cc1OC 1872727616 OCKQZUYIZKYCSQ-VCHYOVAHSA-N 473.916 5.649 50 10 JKGE Cc1ccc(C(C)(C)C)cc1-c1csc(/C(C#N)=C(\O)[C@H](C(C)C)N2C(=O)c3ccccc3C2=O)n1 1872755918 LUHYBXWBNLCXEJ-JRURIKFDSA-N 499.636 6.530 50 10 JKGE CCOc1ccc(/C=C/C(O)=C(\C#N)c2nc(-c3cc(Cl)ccc3Cl)cs2)cc1OC 1872758197 PHJRHIYTYDNLQK-LLZXCYLFSA-N 473.381 7.030 50 10 JKGE CCOc1cc(/C=C(\C#N)c2nc(-c3cccc(Cl)c3)cs2)ccc1OCc1ccc(C)cc1 1872790087 KDXJKPDWQUTQTQ-YDZHTSKRSA-N 487.024 7.814 50 10 JKGE CSCC[C@@H](/C(O)=C(\C#N)c1nc(-c2ccc(F)cc2F)cs1)N1C(=O)c2ccccc2C1=O 1872818234 SVEINKWRMMBUOB-HOJYTFPLSA-N 497.548 5.299 50 10 JKGE C[C@@H]1CN(Cc2ccccc2)C[C@@H](C)N(c2cccc(Br)c2CBr)C1 1921467528 AYSRTNVBVBVXSF-IAGOWNOFSA-N 466.261 5.691 50 10 JKGE FC(F)(F)C(F)(F)C[C@H](Br)c1sc(Br)cc1Br 1922881199 HJGINMSWXNLOGK-BYPYZUCNSA-N 466.889 6.297 50 10 JKGE Brc1cc(Br)c([C@H](Br)[C@H]2CCCc3ccccc32)s1 1922954885 TVFRSJBDPMUFCZ-SMDDNHRTSA-N 465.048 6.829 50 10 JKGE CC1([C@@H](Cl)c2c(Br)sc(Br)c2Br)CCCCC1 1924583847 PQFUSAIAZDZTHC-VIFPVBQESA-N 465.476 7.286 50 10 JKGE Fc1cccc(C[C@H](Cl)c2c(Br)sc(Br)c2Br)c1F 1924601686 YXTNYDCTCIQLPK-LURJTMIESA-N 495.408 6.836 50 10 JKGE FC(F)CC[C@H](Br)c1c(Br)sc(Br)c1Br 1924616215 MLQXPXBQJCSHFO-VKHMYHEASA-N 491.815 6.517 50 10 JKGE CN(Cc1ccccc1)[C@@H]1CCCN(c2ccc(CBr)cc2Br)C1 2003361630 XWNNEPBFYOZTBH-GOSISDBHSA-N 452.234 5.445 50 10 JKGE CN(Cc1ccccc1)[C@H]1CCCN(c2cccc(Br)c2CBr)C1 2003361771 ZKQBDUJVQAJUSP-KRWDZBQOSA-N 452.234 5.445 50 10 JKGE O=C(c1csc(Br)c1Br)N(CCBr)C1CCCC1 2032953877 RUPQFXGGIDVRID-UHFFFAOYSA-N 460.029 5.053 50 10 JKGE COc1ccc(Oc2nc(Cl)c(CBr)s2)cc1I 2037781141 LOXKPDYAWKTUOQ-UHFFFAOYSA-N 460.518 5.097 50 10 JKGE CC1(COc2c(Br)cc(CBr)cc2Br)CCCCC1 2087558813 RHRSPBZAYCDVRS-UHFFFAOYSA-N 455.028 6.456 50 10 JKGE Cc1ccc([C@@H](Br)Cc2ccccc2I)c(C)c1Br 2087570665 UPKRJDMIEOIYIA-AWEZNQCLSA-N 494.008 6.349 50 10 JKGE C[C@H]1[C@H](Br)C[C@H]2CC[C@H]1N2Cc1c(Br)cccc1Br 2094103122 XMSPXBIOTMDDHV-UNNXFLIFSA-N 452.028 5.348 50 10 JKGE Cc1cc(Br)c([C@H](Br)[C@]2(C)C[C@@H]2C(F)(F)F)cc1Br 2100652364 BKAUEINLXCMHOJ-SDDRHHMPSA-N 464.945 6.545 50 10 JKGE Cc1csc([C@H](Cl)c2cc(I)cc3c2OCC3)c1Br 2100815544 ZMJQIOWYDFAMAO-GFCCVEGCSA-N 469.569 5.687 50 10 JKGE Cc1cc(Br)c(CBr)c(N2CCN(Cc3ccccc3)[C@H](C(C)C)C2)c1 2116837569 YLOAVHOYPBRLMM-QFIPXVFZSA-N 480.288 5.999 50 10 JKGE COCc1ccccc1[C@H](Cl)c1c(Br)sc(Br)c1Br 2134734920 AMYDKUSOOQBZPR-NSHDSACASA-N 489.454 6.510 50 10 JKGE COc1ccc([C@H](Br)c2cc(Br)c(Cl)s2)c(Cl)c1Cl 2138628668 VPVUWOXEDHGYLL-VIFPVBQESA-N 465.421 6.964 50 10 JKGE Cl[C@H](c1cccc(Br)c1Br)c1csc2c(Br)cccc12 2148749994 JTDPMZDQBIAFHR-CQSZACIVSA-N 495.461 7.517 50 10 JKGE C[C@@H](Br)C12CCC(CC1)N2C(=O)c1cc(Br)ccc1Br 2153385668 HIQCXQJMVSIDON-IWPPJYEWSA-N 466.011 5.132 50 10 JKGE CC(C)(C)OC(=O)N1CC[C@@H](C(F)(F)F)N(CC2(CBr)CCCCC2)CC1 2163064479 USGSGEWALXGMOD-HNNXBMFYSA-N 457.375 5.206 50 10 JKGE CC(C)[C@H](CN(C)Cc1ccccc1)n1c(CCl)nc2cc(Cl)c(Br)cc21 2169008350 FIPUKLZXXVCLOI-FQEVSTJZSA-N 469.254 6.520 50 10 JKGE CC[C@@H](Cl)[C@H]1CCCCN1C(=O)c1cc(Br)ccc1I 2170619694 VLQYSXODNANTLJ-TZMCWYRMSA-N 470.576 5.066 50 10 JKGE FC(F)(F)c1cc(Br)cc([C@@H](Cl)c2cc(Br)c(Cl)s2)c1 2172411828 HVCBJZCYSWWZLU-SNVBAGLBSA-N 468.947 7.274 50 10 JKGE O=C(NCC1(F)CCC(CBr)CC1)c1cc(Br)c(Br)s1 2178581216 NUEPCZDDXXKRIQ-UHFFFAOYSA-N 492.046 5.296 50 10 JKGE Cc1c(Br)sc([C@@H](Cl)C23CC(C2)[C@H](C(F)(F)F)O3)c1Br 2193094783 ROVNOASFOPMJMT-JQLZSVONSA-N 454.533 5.971 50 10 JKGE Cc1cc(Br)c([C@H](Br)[C@H]2C[C@@H]2C2CCCCC2)cc1Br 2199992122 BQGUHFKDXMTOJO-IIYDPXPESA-N 465.067 7.172 50 10 JKGE Cc1cc(Br)c(C)c([C@H](Br)C[C@@H]2CC(C)(C)CO2)c1Br 2201066129 XDIVNMKBLKBIBS-DGCLKSJQSA-N 469.055 6.470 50 10 JKGE FC[C@]12C[C@](COc3c(Br)cc(CBr)cc3Br)(CO1)C2 2202754166 LHACNWDMPJMSAQ-OKILXGFUSA-N 472.974 5.004 50 10 JKGE Cc1cccc([C@@H](Br)c2c(C)sc(Br)c2C)c1Br 2218800983 PMKQLQNWYKOYLX-CYBMUJFWSA-N 453.037 6.683 50 10 JKGE Brc1ccc([C@H](Br)[C@@H]2OC[C@@H]3CCCC[C@H]32)c(Br)c1 2224952800 ORCWEZCWEUEOHX-OCVOHJKQSA-N 453.012 5.853 50 10 JKGE Fc1cc(F)c([C@@H](Br)c2ccccc2OCc2ccccc2)c(F)c1Br 2227799248 DNCHNFYLHIQPFK-SFHVURJKSA-N 486.125 6.930 50 10 JKGE Cc1ccc([C@H](Cl)c2c(Br)cc(F)c(F)c2F)cc1I 2232833685 ONXZQFKIUHQHQF-LBPRGKRZSA-N 475.473 6.108 50 10 JKGE COc1ccc(Br)c(CBr)c1OCc1cc(Cl)sc1Cl 2236032032 JSYDYFHCSIBNDT-UHFFFAOYSA-N 461.002 6.300 50 10 JKGE Cc1sc([C@H](Br)c2ccccc2OCc2ccccc2)c(Br)c1C 2246414184 QLZMFDMKGSYGJY-LJQANCHMSA-N 466.238 7.191 50 10 JKGE Fc1cc(Br)c(F)c(Br)c1[C@H](Br)C1(Cl)CCC1 2250746882 FDACBPCYCSFDLG-JTQLQIEISA-N 453.346 6.087 50 10 JKGE Cl[C@H](c1c(Br)sc(Br)c1Br)[C@]12COC[C@H](C1)C2 2250917852 JPJRMVQYQHIYHS-ZDRUMUKXSA-N 465.432 5.742 50 10 JKGE Cc1sc([C@@H](Br)Cc2ccccc2Br)c(Br)c1C 2253475427 YILXSNSUFJHXLN-LBPRGKRZSA-N 453.037 6.569 50 10 JKGE FC(F)(F)[C@@H]1C[C@H]1[C@@H](Br)Cc1cc(Br)cc(Br)c1 2263524482 IBGFGZSNNIORIV-MXWKQRLJSA-N 450.918 5.716 50 10 JKGE Brc1cc(Br)cc(C[C@H](Br)C[C@H]2CCCOCC2)c1 2277962630 JOLISEAOOWYNFH-WCQYABFASA-N 455.028 5.724 50 10 JKGE CCCCCCCC[C@@H](Br)Cc1cc(Br)cc(Br)c1 2277963936 ANAYLLGTVFNEFG-CQSZACIVSA-N 455.072 7.268 50 10 JKGE COc1cc(Cl)c(Cl)cc1[C@H](Cl)c1c(Br)cccc1Br 2279058783 AFAHKAKZLQVLLB-AWEZNQCLSA-N 459.392 6.855 50 10 JKGE O=C(c1scc(Br)c1Br)N1C[C@H](Br)C[C@@H]2CCCC[C@H]21 2279534081 PEZHUPCBRVOGQU-IQJOONFLSA-N 486.067 5.441 50 10 JKGE COCCOc1ccc([C@@H](Br)c2cc(Br)co2)cc1Br 2285990411 WIJOEKNIAGYKOF-CQSZACIVSA-N 468.967 5.314 50 10 JKGE Clc1ccc(I)cc1O[C@@H]1C[C@@H](Br)[C@@]12CCCC21CC1 2288256233 MDWQEZUSKLLBHT-FMKPAKJESA-N 467.572 5.810 50 10 JKGE COc1cc(OC)c([C@H](Br)c2cc(C)sc2Br)cc1Br 2295422406 YILAQQQLBHPCDM-ZDUSSCGKSA-N 485.035 6.083 50 10 JKGE Cc1ccc(-c2csc(C(C#N)=CNc3ccc(Cl)cc3C(=O)c3ccccc3)n2)cc1C 2295956234 KDEABLYCVUNMPY-UHFFFAOYSA-N 469.997 7.288 50 10 JKGE N#CC(=CNc1ccc(Cl)cc1C(F)(F)F)c1nc(-c2cc3ccccc3oc2=O)cs1 2296025160 YZXROKXYLBQPMX-UHFFFAOYSA-N 473.863 6.565 50 10 JKGE Cc1ccc(C)c(NC(=O)C(C#N)=Cc2c(Oc3ccc(Cl)cc3)nc3ccccn3c2=O)c1 2296720236 CMDHLVWZOUYTMR-UHFFFAOYSA-N 470.916 5.303 50 10 JKGE Clc1cc([C@@H](Cl)c2ccc(OCc3ccccc3)cc2Br)sc1Cl 2299489473 PTYXDTUHZRVXKX-KRWDZBQOSA-N 462.623 7.725 50 10 JKGE Cc1c(Br)csc1[C@@H](Cl)c1ccc(OCc2ccccc2)cc1Br 2299497998 YMQJPPMKQGHALT-SFHVURJKSA-N 486.656 7.489 50 10 JKGE CC[C@]1([C@@H](Br)c2cc(Br)ccc2OCc2ccccc2)CC1(F)F 2299502734 ZCBADOIZEHCXGQ-ZWKOTPCHSA-N 460.156 6.900 50 10 JKGE FC(F)(F)CCC[C@H](Br)c1ccc(OCc2ccccc2)cc1Br 2299535050 KTSLFKTWTBCYJK-INIZCTEOSA-N 466.135 7.197 50 10 JKGE FC(F)(F)[C@H]1C[C@@H]([C@@H](Br)c2cc(Br)sc2Br)C1 2307503973 UZWGBNSSUFCZRC-GLDDHUGJSA-N 456.947 6.298 50 10 JKGE CCc1cc(Br)ccc1-c1ccc(C=C(C#N)C(=O)Nc2ccc(OC)cc2)o1 2313553213 SNNSIIPYNDBMAL-UHFFFAOYSA-N 451.320 5.826 50 10 JKGE CCOc1c(Br)cc(C=C(C#N)C(=O)Nc2cc(C)ccc2C)cc1Br 2313561014 PPIPROXCCBNYJW-UHFFFAOYSA-N 478.184 5.773 50 10 JKGE CCOc1cc(C=C(C#N)C(=O)Nc2ccc(C)cc2C)ccc1OCc1ccc(Cl)cc1 2313667870 WXVBGFLALCJLNM-UHFFFAOYSA-N 460.961 6.480 50 10 JKGE Fc1cc(Cl)c(Br)c(Cl)c1[C@H](Br)c1sccc1Br 2313819535 RAXYLCWDFKIPKW-VIFPVBQESA-N 497.836 7.203 50 10 JKGE COc1ccc(Oc2nc3c(C)cccn3c(=O)c2C=C(C#N)C(=O)Nc2ccccc2Cl)cc1 2314531888 FMKBLEAHUHAFGH-UHFFFAOYSA-N 486.915 5.003 50 10 JKGE Clc1cc(I)c([C@H](Br)c2ccc3sncc3c2)s1 2316604679 BWCBKTQMKDFMQT-LLVKDONJSA-N 470.582 6.100 50 10 JKGE Cn1nc(Br)c(Br)c1[C@@H](Br)c1ccc(C2CC2)s1 2316831740 ABYXFPBTOWSWKK-VIFPVBQESA-N 455.013 5.368 50 10 JKGE Fc1cc(Cl)c([C@@H](Br)c2sc(Br)cc2Br)c(Cl)c1 2318357317 KMWBXURMAURROF-SNVBAGLBSA-N 497.836 7.203 50 10 JKGE Cc1scc([C@H](Br)c2cc(C3CC3)c(Br)s2)c1Br 2320484093 BKYUZIICFOFDJK-LBPRGKRZSA-N 471.077 7.005 50 10 JKGE CCOc1cc(C=NNC(=O)c2ccc(N)cc2)ccc1OCc1c(Cl)cccc1Cl 2323310538 CZWVONCHMUFMOO-UHFFFAOYSA-N 458.345 5.317 50 10 JKGE Cc1c(OCc2cccc(CCl)c2)ccc2c1OC(=Cc1ccc(Cl)cc1Cl)C2=O 2325361436 ZWSSMHZXLSZIKB-UHFFFAOYSA-N 459.756 7.236 50 10 JKGE Cc1ccc(-c2csc(C(C#N)=C(O)c3cc(C(F)(F)F)cc(C(F)(F)F)c3)n2)c(C)c1 2331311115 RQBXBBRLGKOXSC-UHFFFAOYSA-N 468.422 7.414 50 10 JKGE C[C@H](Oc1ccc(Cl)cc1Br)C(O)=C(C#N)c1nc(-c2ccc(F)cc2)cs1 2331344171 UZKUQVFKQRJWJP-NSHDSACASA-N 479.758 6.625 50 10 JKGE COc1cc(C=C(C#N)c2nc(-c3ccc4c(c3)CCCC4)cs2)ccc1OCc1ccccc1 2331416895 RYPWQPYIZOBNFF-UHFFFAOYSA-N 478.617 7.341 50 10 JKGE N#CC(=Cc1ccc(OC(=O)c2ccccc2)cc1)c1nc(-c2ccc3c(c2)OCCO3)cs1 2331452193 QWAZLJFFNFLONV-UHFFFAOYSA-N 466.518 5.865 50 10 JKGE Br[C@@H]1CC[C@@H](c2ccccc2)C[C@@H]1Cc1sccc1I 2364105301 WZEOKRDQYPWDBK-RBSFLKMASA-N 461.206 6.243 50 10 JKGE Cc1cc(Br)c(F)c(Br)c1[C@@H](Br)[C@H]1C[C@@H]2CC[C@H](C1)O2 2365191901 SFDYJYYZTAGCEA-XHSYRHOGSA-N 471.002 6.053 50 10 JKGE CC(C)(C)[C@@H]1CC[C@@H]1[C@@H](Br)c1c(Cl)cc(Br)c(F)c1Br 2369225653 KNCRIWXCNIAZQK-JOAULVNJSA-N 491.464 7.512 50 10 JKGE CC(C)c1ccc(/C=N/NC(=O)CSc2nnc([C@@H](C)Nc3cccc(Cl)c3)n2C)cc1 2762625 YKANXRPZKGGWMS-IXBOPPFXSA-N 471.030 5.007 50 10 JKGE Cc1c(NC(=O)NC(=O)c2c(F)cccc2F)ccc(SC(F)(F)[C@@H](F)Cl)c1C 31500181 COTDVYWZNRMARX-MRXNPFEDSA-N 452.832 5.763 50 10 JKGE COc1cccc(/C=N/NC(=O)CSc2nc3ccccc3[nH]2)c1OCc1c(F)cccc1Cl 32520663 NKHJBHZPDKNQHT-KKMKTNMSSA-N 498.967 5.185 50 10 JKGE N#C/C(=C\C1=C(N2CCOCC2)/C(=C\c2ccccc2)CC1)C(=O)Nc1ccc(SC(F)F)cc1 32694156 QMLDRRRBFZBFHZ-UUHKXZRCSA-N 493.579 5.853 50 10 JKGE N#C/C(=C/c1ccc(OCc2ccc(Cl)cc2Cl)c(Br)c1)C(=O)N1CCCCC1 33366202 ZYNCPTBAYXSRSE-YVLHZVERSA-N 494.216 6.254 50 10 JKGE Cc1ccc2cc(/C=C(/C#N)c3nc(-c4ccc(Cl)c(Cl)c4)cs3)c(Cl)nc2c1 33391320 FRNPQTQBSLDSKS-PXNMLYILSA-N 456.785 7.691 50 10 JKGE CCC(C)(C)c1ccc(OCCCC(=O)N/N=C(/C)c2ccc(OC)cc2)c(C(C)(C)CC)c1 34780684 RUUKEXAVHIBUMF-OFWBYEQRSA-N 466.666 6.770 50 10 JKGE CC(C)c1ccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4ccc(Cl)cc4Cl)ccc32)cc1 38649461 GJDXDUHASNXGSJ-XMMPIXPASA-N 479.363 6.554 50 10 JKGE N#CC1=C(N)Oc2cc(OC(=O)c3cccc4ccccc34)ccc2[C@H]1c1cccc(Br)c1 38651521 AKITVZKQEIVXOM-RUZDIDTESA-N 497.348 6.040 50 10 JKGE CC(C)COc1ccc(C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@H]3c2c(F)cccc2Cl)cc1 38680462 QIQWIBALZRCMOH-DEOSSOPVSA-N 492.934 5.951 50 10 JKGE CCCOc1ccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4ccc(C)cc4)ccc32)cc1OCC 38683747 CTEVVIBDQOXWPX-MHZLTWQESA-N 484.552 5.620 50 10 JKGE CCCOc1ccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4cccc(C)c4)ccc32)cc1OCC 38683749 NSNYEHRRNXHTAF-HHHXNRCGSA-N 484.552 5.620 50 10 JKGE COc1cc(/C=C(\C#N)C(=O)NCc2ccco2)ccc1OC(=O)CCc1ccc(C(C)C)cc1 40996236 XJFTWONFMHHAJH-HZHRSRAPSA-N 472.541 5.173 50 10 JKGE CCOC(=O)/C(C#N)=C/c1ccc(OC(=O)c2sc3ccc(OC)cc3c2Cl)c(OC)c1 41008057 FAAXTQOVEXBEKR-NTEUORMPSA-N 471.918 5.261 50 10 JKGE CCc1ccc(N2C(=O)[C@H](Cc3ccc(F)cc3)S/C2=C(/C#N)C(=O)Nc2ccc(C)cc2)cc1 101245919 ZWCJCOXUBQNSJA-UZEPBSNMSA-N 485.584 5.762 50 10 JKGE CN(C)c1oc(/C=C\c2ccccc2)nc1[P+](c1ccccc1)(c1ccccc1)c1ccccc1 102617976 NOQGFFUQIQTYLO-VHXPQNKSSA-N 475.552 5.530 50 10 JKGE CCOc1ccc(/C=C(\C#N)c2nc(-c3cc4cc(Cl)cc(Cl)c4oc3=O)cs2)cc1 104975118 XOXYWXNPXLYOMQ-VIZOYTHASA-N 469.349 6.686 50 10 JKGE Clc1ccc(C(CBr)(CBr)Cc2cc(Cl)ccc2Cl)cc1 118876915 BZWVBYKBVJFWET-UHFFFAOYSA-N 471.447 6.917 50 10 JKGE COc1cc([C@@H](Cl)c2csc(I)c2)c(OC)cc1Br 134283029 SCUYXWWGXPREJV-ZDUSSCGKSA-N 473.557 5.461 50 10 JKGE C[C@@H]1CCCC[C@@H]1NC(=O)[C@H](c1ccccc1Cl)N(CCc1ccccc1Cl)C(=O)CCl 195523608 FUADBYKFTGCKPV-UWSIMGETSA-N 495.878 6.040 50 10 JKGE Cc1cc(I)ccc1N/C=C(/C#N)C(=O)Nc1ccc(Cl)cc1Cl 217176315 FETDAPYBIWRKLW-LUAWRHEFSA-N 472.113 5.365 50 10 JKGE Fc1c([C@H](Br)c2cc(Br)c(Cl)s2)cccc1C(F)(F)F 227848004 JRMJZYZKMXTWIP-VIFPVBQESA-N 452.492 6.806 50 10 JKGE C[C@H]1CCC[C@@](CBr)(NC(=O)c2cc(Cl)ccc2I)C1 235624712 CDXHANVERJCEMM-ZUZCIYMTSA-N 470.576 5.018 50 10 JKGE Cl[C@@H](c1cc(Br)ccc1I)c1cccc2ccccc12 236030933 UISMGBZXUWNBDZ-QGZVFWFLSA-N 457.536 6.535 50 10 JKGE Clc1cc(Br)ccc1Oc1ccc(Br)cc1CBr 236044476 AIIOUUFUFORURA-UHFFFAOYSA-N 455.371 6.552 50 10 JKGE CC1(C)[C@H]2CC[C@]1(C)C(=NNC(=O)c1cc3n(n1)[C@@H](C(F)(F)F)C[C@@H](c1ccc(F)cc1)N3)C2 254482811 FBMLHCJNVNTSAR-VEIGQSBUSA-N 477.506 5.615 50 10 JKGE Cc1cc(C)c([C@H](Br)c2ccc(Br)cc2F)c(C)c1Br 312826502 TVXSYCUUJNPNOF-MRXNPFEDSA-N 464.998 6.760 50 10 JKGE Cc1cccc(Br)c1[C@H](Cl)c1cc(Br)c(Br)s1 384058633 SNZIIHKECPGEJG-LLVKDONJSA-N 459.428 6.672 50 10 JKGE ClCc1nc2cc(I)ccc2n1C[C@@H]1CCCN1Cc1ccccc1 390685284 ZRNDORUNJQVECA-KRWDZBQOSA-N 465.766 5.044 50 10 JKGE Oc1nc2cc([C@@H](Br)c3cscc3Br)c(Br)cc2[nH]1 404785406 YBRZBUZFRKVMBL-LLVKDONJSA-N 466.980 5.339 50 10 JKGE C[C@]1(n2c(CCCl)nc3cc(F)c(Br)cc32)CCN(Cc2ccccc2)C1 405952204 HBPHAXWCMBARNH-NRFANRHFSA-N 450.783 5.340 50 10 JKGE CN(C(=O)OC(C)(C)C)c1ccccc1[C@H]1CCN(CCO[Si](C)(C)C(C)(C)C)c2ccccc21 616675732 PUTJOKHNIWCVNJ-JOCHJYFZSA-N 496.768 7.422 50 10 JKGE FC(F)(F)c1ccc(Cl)c([C@H](Br)c2cc(Br)c(Cl)s2)c1 695013139 GYWNPOLFKNPUKC-JTQLQIEISA-N 468.947 7.321 50 10 JKGE C[C@H]1CCN(Cc2ccccc2)C[C@@H]1n1c(CCl)nc2cc(I)ccc21 716284626 WYPYUWDOYVAZHJ-YWZLYKJASA-N 479.793 5.463 50 10 JKGE CN(Cc1ccccc1)[C@H](Cn1c(CCCl)nc2cc(I)ccc21)C1CC1 717992345 AOJKJYMJDBDPHK-OAQYLSRUSA-N 493.820 5.333 50 10 JKGE C[C@@H]1Cc2cc(Br)cc([C@H](Br)c3ncsc3Br)c2O1 720037508 ALUJMGCNLQYTSL-LDWIPMOCSA-N 468.008 5.476 50 10 JKGE COc1ccc(Oc2ccc(C(F)(F)F)cc2[N+](=O)[O-])c(C=NNC(=O)Cc2ccccc2)c1 1083885879 AWYQOTZSCMWLFA-UHFFFAOYSA-N 473.407 5.107 50 10 JKGE O=C(CCCSc1nnc(CCc2ccccc2)n1-c1ccccc1)NN=Cc1cccs1 1084021464 AKXCWMNEYPUCBJ-UHFFFAOYSA-N 475.643 5.137 50 10 JKGE COc1ccc(C=NNC(=O)c2ccc(NC(=O)c3ccc(C(C)(C)C)cc3)cc2)cc1OC 1084472942 PAPZIBMRJGOOJE-UHFFFAOYSA-N 459.546 5.018 50 10 JKGE C[C@H](Br)C(=O)Nc1ccc(Oc2ccc(NC(=O)[C@H]3CCCC[C@@H]3C(=O)O)cc2)cc1 1859504711 FDBCTGNKHLIUEW-GKCIPKSASA-N 489.366 5.030 50 10 JKGE N#CSc1ccc(NC(=O)c2cc(CCc3ccccc3)n(Cc3ccccc3F)n2)cc1 1862327065 ZZMVCRUKYDUZEN-UHFFFAOYSA-N 456.546 5.681 50 10 JKGE COc1ccc([C@H]2C(C#N)=C(N)Oc3c2c(-c2ccccc2)nn3Cc2cc(C)ccc2C)cc1O 1865681927 ASUYYHXJXMUWRZ-VWLOTQADSA-N 478.552 5.148 50 10 JKGE COc1cccc([C@@H]2C(C#N)=C(N)Oc3c2c(-c2ccccc2)nn3Cc2cc(C)ccc2C)c1O 1865684527 RLEJKQJDIGCGNO-XMMPIXPASA-N 478.552 5.148 50 10 JKGE N#CSc1ccc(Nc2cc(N3CCC(c4ncncn4)CC3)nc(-c3ccc(F)cc3)n2)cc1 1868454627 PMSCZJCSJKSARZ-UHFFFAOYSA-N 484.564 5.168 50 10 JKGE COc1cc(/C=C(\C#N)c2nc(O)c3ccccc3n2)ccc1OCc1ccc(C(C)(C)C)cc1 1872726936 VGBYAZHAIQHATR-RCCKNPSSSA-N 465.553 6.285 50 10 JKGE CCc1ccc(-c2csc(/C(C#N)=C(\O)CCCN3C(=O)c4ccc([N+](=O)[O-])cc4C3=O)n2)cc1 1872744350 NVEATZYRMRMQCC-XDOYNYLZSA-N 488.525 5.150 50 10 JKGE CCCOc1ccc(-c2csc(/C(C#N)=C(O)/C(=C\c3ccccc3)c3ccccc3)n2)cc1 1872749310 LAVYPNKGRHVBLT-DKOHLXJGSA-N 464.590 7.632 50 10 JKGE COc1cc(/C(O)=C(\C#N)c2nc(-c3ccc(C(C)(C)C)cc3)cs2)cc(OC)c1OC 1872750380 CRVGZXMDEIWTPT-PYCFMQQDSA-N 450.560 6.083 50 10 JKGE CCCc1ccc(OC/C(O)=C(\C#N)c2nc(-c3cc(OC)c(Cl)cc3OC)cs2)cc1 1872756095 CSRGMOGWJDAGES-UZYVYHOESA-N 470.978 6.305 50 10 JKGE COc1cc(OC)c(-c2csc(/C(C#N)=C(\O)COc3ccc(C)cc3C(C)(C)C)n2)cc1Cl 1872756510 NABYCCFYXQPZKK-FXBPSFAMSA-N 499.032 6.958 50 10 JKGE COc1ccc(Cl)cc1-c1csc(/C(C#N)=C(\O)[C@H]2CC(=O)N([C@@H](C)c3ccccc3)C2)n1 1872758671 KSSMUMMATGIJLR-UEXFYKOASA-N 479.989 5.874 50 10 JKGE Fc1cc(Br)c2nc(CCl)n(-c3cccc(I)c3)c2c1 1912679438 DKLJHWRBVYCVLT-UHFFFAOYSA-N 465.491 5.271 50 10 JKGE FC1(F)CCC[C@H]1C[C@@H](Br)c1sc(Br)cc1Br 1922881290 HYXCITKWODDZSY-NKWVEPMBSA-N 452.984 6.535 50 10 JKGE Cc1ccc(Cl)cc1[C@H](Br)c1sc(Br)cc1Br 1922934939 LGMPDXSCCYNUAT-NSHDSACASA-N 459.428 6.719 50 10 JKGE Cc1cccc([C@H](Cl)c2c(Br)sc(Br)c2Cl)c1Br 1923038737 KMKLLBZYNHZTRH-VIFPVBQESA-N 493.873 7.326 50 10 JKGE CC1([C@@H](Br)c2c(Br)sc(Br)c2Cl)CC(F)C1 1923074895 TVJGSXMYGOYCGN-JGPKUNILSA-N 455.412 6.501 50 10 JKGE Cc1cc(Cl)ccc1[C@H](Cl)c1c(Br)sc(Br)c1Br 1924591333 PXWXAVWLXOONER-JTQLQIEISA-N 493.873 7.326 50 10 JKGE CC(C)C[C@@H]1CN(C(=O)OC(C)(C)C)CC[C@@]12CC[C@](C)(CI)O2 1944824529 HKWRREFYKBRFFA-LZQZEXGQSA-N 451.389 5.032 50 10 JKGE C[C@@H]1C[C@H](N(C)c2ccc(CBr)cc2Br)CN1Cc1ccccc1 1949205354 RSEICOLSWNSYQU-QAPCUYQASA-N 452.234 5.443 50 10 JKGE CC(C)(C)OC(=O)NCCCN(Cc1ccccc1)C[C@H](CBr)c1ccccc1 1959563778 AXZXODGSPBNMIV-QFIPXVFZSA-N 461.444 5.582 50 10 JKGE Cc1c(Br)sc([C@H](Br)[C@@](C)(F)C(C)(C)F)c1Br 2003235555 ZSHSWRUSFWDIGE-GZMMTYOYSA-N 455.000 6.494 50 10 JKGE Clc1nc(Cl)n(-c2c(Br)cccc2Br)c1CBr 2006646533 BPAWQNSZRCNFFT-UHFFFAOYSA-N 463.782 5.599 50 10 JKGE CCOc1ccc([C@H](Br)c2csc(Br)c2Br)cc1 2032958536 GFTAVEVXUVCUMO-NSHDSACASA-N 455.009 6.156 50 10 JKGE FC1(F)[C@@H]([C@@H](Br)c2cc(Br)c(Br)s2)C12CCCC2 2036155426 LZHMKQXQADTOFE-IUCAKERBSA-N 464.995 6.535 50 10 JKGE C[C@H]1OC2(C)CC1([C@@H](Cl)c1c(Br)sc(Br)c1Br)C2 2038996107 HXFJFQMCWBZIOP-RZVVIQTJSA-N 479.459 6.273 50 10 JKGE Cn1cnc2sc([C@@H](Br)c3cc(Br)c(Br)s3)cc21 2054804570 COFJXHNMGTUQOT-VIFPVBQESA-N 471.037 5.706 50 10 JKGE Cc1cc(Br)c(C)c([C@@H](Cl)c2cscc2Br)c1Br 2081072860 YYYAMYQOHKZDIN-ZDUSSCGKSA-N 473.455 6.981 50 10 JKGE COc1cc(F)c([C@H](Br)c2sncc2Br)cc1Br 2082781888 IGCXZRTWIOWQDA-JTQLQIEISA-N 459.960 5.300 50 10 JKGE Cc1sc(Br)cc1[C@H](Cl)c1scc(C(F)(F)F)c1Br 2095700584 YKWSUQATKRHUOW-VIFPVBQESA-N 454.558 6.990 50 10 JKGE Fc1cc(Br)cc([C@@H](Br)c2cc(Br)c(Cl)cc2F)c1 2097834047 HZLOEGACDRGTJO-CYBMUJFWSA-N 475.352 6.628 50 10 JKGE Fc1cc(Cl)c(Br)cc1[C@@H](Br)c1cccc(F)c1Br 2097835564 STLUSLNTUIRUFL-LBPRGKRZSA-N 475.352 6.628 50 10 JKGE CC(C)(CBr)[C@H]1CCCN1C(=O)c1csc(Br)c1Br 2099641117 SJJMRRIOKPMMAC-SECBINFHSA-N 474.056 5.299 50 10 JKGE CCOc1ccc(Br)cc1[C@H](Br)c1cc(Br)c(Cl)s1 2115942964 QOCIGSLEFZEZQN-LBPRGKRZSA-N 489.454 6.810 50 10 JKGE Cc1cc(Br)c(CBr)c(N(C)C[C@H]2CCCCN2Cc2ccccc2)c1 2116805689 KLRMVJBSIPJYOI-LJQANCHMSA-N 480.288 6.143 50 10 JKGE CC(C)(C)[C@@H]1[C@H](Br)CCN1C(=O)c1cc(Br)c(Br)s1 2128680415 RUMWPISDLAPWIN-XCBNKYQSSA-N 474.056 5.297 50 10 JKGE CO[C@@H]1C[C@H]([C@H](Cl)c2c(Br)sc(Br)c2Br)C12CCC2 2133845967 NIXBJIKOADNRIR-XSSZXYGBSA-N 493.486 6.521 50 10 JKGE CCN(C[C@](C)(CI)OC[C@@H]1C[C@@H]1C1CCCCC1)C(=O)OC(C)(C)C 2135790378 QNMZSRIJVKPPNT-UEXGIBASSA-N 479.443 5.670 50 10 JKGE Cc1cc(Br)c(C)c([C@H](Br)C(C)(C)C2CCC2)c1Br 2136384655 SECZBFXCTHTDKJ-HNNXBMFYSA-N 453.056 7.091 50 10 JKGE CC1(C)CC12CC(CBr)(Cc1ccc(I)c(Cl)c1)C2 2142955876 HGLGAXNUZMHOAG-UHFFFAOYSA-N 453.589 6.079 50 10 JKGE Cc1cc(Br)cc(CBr)c1OCc1cccc(Br)c1C 2143692703 VIHDTEOVTDMRQB-UHFFFAOYSA-N 463.007 6.302 50 10 JKGE Cc1cc(C)c(C)c([C@@H](Br)c2cccc(Br)c2Br)c1C 2148754429 ZNHYJUYXHCBZQT-KRWDZBQOSA-N 461.035 6.930 50 10 JKGE COc1ccc([C@@H](Br)c2cc(Cl)c(C)c(Br)c2)cc1Br 2167395375 JUMNTRNYZFFJDH-OAHLLOKOSA-N 483.425 6.666 50 10 JKGE C[C@@H]1[C@@H](C(F)(F)F)N(CC2(CBr)CCCCC2)CCN1C(=O)OC(C)(C)C 2172610239 UEWKWIUWEAJZFZ-CABCVRRESA-N 457.375 5.204 50 10 JKGE CC(C)(C)OC(=O)N1CCC[C@](CI)(OC[C@@H]2C[C@@H]2C2CCCCCC2)C1 2200762836 UCUBPZUFSKZHHB-NNMXDRDESA-N 491.454 5.814 50 10 JKGE Cc1c(Br)ccc([C@@H](Br)c2cccc(C3CC3)c2)c1Br 2203686105 SHUZXXPWRYQZMN-KRWDZBQOSA-N 459.019 6.882 50 10 JKGE CC(C)n1nc(Br)cc1C[C@@H](Br)c1ccccc1Br 2224274318 YKFXUMDOWSXILO-CYBMUJFWSA-N 451.000 5.668 50 10 JKGE Cc1scc([C@@H](Br)c2c(Br)cc(Cl)c(Cl)c2Cl)c1C 2224314703 ZWDSCVTWIYWVDO-LLVKDONJSA-N 463.449 7.572 50 10 JKGE CCCC[C@H](C)CC[C@H](Br)c1cc(Br)c(Br)cc1F 2225620271 SJPDVINXCCDZJX-JQWIXIFHSA-N 459.035 7.393 50 10 JKGE Cc1cc(C)c([C@@H](Br)c2cc(Br)c(C)s2)c(C)c1Br 2226081555 FHXAPWGBENZARW-HNNXBMFYSA-N 467.064 6.991 50 10 JKGE CC(C)(C)OC(=O)N1CCC(CI)(OC2C3CC4CC(C3)CC2C4)CC1 2230444261 HGQHYGNKSRYVMM-UHFFFAOYSA-N 475.411 5.032 50 10 JKGE Cc1cccc([C@H](Br)c2c(Br)cc(Cl)c(Cl)c2Cl)c1Cl 2232514465 VDNMKAMGWOYZKT-NSHDSACASA-N 477.838 7.855 50 10 JKGE Clc1cccc(C[C@@H](Br)c2ccccc2Br)c1Br 2259397860 CVBQZFROJNCVCY-GFCCVEGCSA-N 453.399 6.544 50 10 JKGE Fc1cc(Cl)c([C@H](Br)Cc2ccncc2Br)cc1Br 2270439338 UXZODFLTLZEXCC-SECBINFHSA-N 472.377 6.078 50 10 JKGE Fc1ccc(Br)c([C@@H](Cl)Cc2cc(Br)cc(Br)c2)c1 2277963683 XFGHKTXTOWEHAQ-AWEZNQCLSA-N 471.389 6.636 50 10 JKGE CC1CC(CBr)(CN2CCN(C(=O)OC(C)(C)C)[C@H](C)C[C@@H]2C(F)(F)F)C1 2280060071 NDNIGSSNEGIOPH-NWPKHEMWSA-N 457.375 5.060 50 10 JKGE Cc1c(CBr)cccc1NC(=O)c1cc(Br)cc(Br)c1 2283555570 UJDBJTVHRLZWFF-UHFFFAOYSA-N 461.979 5.667 50 10 JKGE Cc1c(C(=O)O)cccc1-c1ccc(C=C(C#N)C(=O)Nc2ccc(Br)cc2)o1 2294172033 VRRSGJQZLXRSOJ-UHFFFAOYSA-N 451.276 5.261 50 10 JKGE Brc1cc(Br)cc(C[C@H](Br)c2cccc3ccsc23)c1 2295337068 FELALNMYUXTUBQ-HNNXBMFYSA-N 475.043 7.105 50 10 JKGE CCCCCCOc1ccc(-c2nn(-c3ccccc3)cc2C=C(C#N)C(=O)NCc2ccco2)cc1 2296707843 RHEFKPGUEHVHQT-UHFFFAOYSA-N 494.595 6.315 50 10 JKGE CCOC(=O)c1c(NC=C(C#N)c2nc(-c3cccc([N+](=O)[O-])c3)cs2)sc(C)c1C 2296790081 MSZMHDSWEXFPRR-UHFFFAOYSA-N 454.533 5.550 50 10 JKGE CCN[C@@H](c1cc(Br)ccc1OCc1ccccc1)[C@H]1C[C@H](Br)C1 2299504101 KRRNRQHVAYMSOA-WRWLIDTKSA-N 453.218 5.852 50 10 JKGE Clc1ccc(I)cc1CO[C@@H]1CCCC[C@H]1I 2307206498 KTGBZHHXGZHGDB-CHWSQXEVSA-N 476.523 5.207 50 10 JKGE CCN(CC)c1ccc(-n2c(C)cc(C=C(C#N)C(=O)N3CCN(c4ccccc4)CC3)c2C)cc1 2313567328 IZJAGJJNMFJAGP-UHFFFAOYSA-N 481.644 5.196 50 10 JKGE CC(C)CC(=O)Nc1ccc(C(=O)NN=C(C=Cc2ccccc2)C=Cc2ccccc2)cc1 2313617258 UYAUSFYKPULYDR-UHFFFAOYSA-N 451.570 6.184 50 10 JKGE CCc1ccccc1NC(=O)C(C#N)=Cc1cccc(OCc2ccc(Br)cc2)c1 2313675712 LXTADVYSJGLTTK-UHFFFAOYSA-N 461.359 6.136 50 10 JKGE Cc1ccc(Cl)cc1NC(=O)C(C#N)=Cc1ccc(OCc2ccc(Br)cc2)cc1 2313676737 YTJPJIPLCYLCHY-UHFFFAOYSA-N 481.777 6.536 50 10 JKGE CCOc1ccc(-c2nn(-c3ccccc3)cc2C=C(C#N)C(=O)Nc2ccc(C)cc2)cc1Cl 2314475951 GFUNUPRGOIEJAZ-UHFFFAOYSA-N 482.971 6.446 50 10 JKGE Cc1c(Cl)sc(Cl)c1[C@@H](Cl)c1ccc(Cl)c(I)c1 2314504580 AINZLCNAVFPJSI-JTQLQIEISA-N 451.971 6.950 50 10 JKGE Cc1ccc(Oc2nc3ccccn3c(=O)c2C=C(C#N)C(=O)Nc2cccc(Cl)c2Cl)cc1 2314534084 XZHXVYPODWQGCC-UHFFFAOYSA-N 491.334 5.648 50 10 JKGE CC1=C(C#N)C(=O)N(C[C@@H]2CCCO2)C(=O)C1=Cc1ccc(-c2ccc(Cl)c(Cl)c2)o1 2314617979 DZOZLSYBTVDPBG-INIZCTEOSA-N 457.313 5.025 50 10 JKGE N#CC1=C(N)Oc2cc(OC(=O)C=Cc3ccccc3)ccc2[C@H]1c1ccc(Cl)cc1Cl 2314634162 UQVFYMWYWVEBHM-XMMPIXPASA-N 463.320 5.830 50 10 JKGE CCCCNC(=O)C(C#N)=Cc1ccc(OC(=O)COc2ccc(-c3ccccc3)cc2)c(OC)c1 2314785078 BPXXBHTVRGJBRR-UHFFFAOYSA-N 484.552 5.170 50 10 JKGE CCCCNC(=O)C(C#N)=Cc1ccc(OC(=O)COc2ccc(-c3ccccc3)cc2)cc1 2314785085 DJOMNIZMHJFXOZ-UHFFFAOYSA-N 454.526 5.161 50 10 JKGE CC[C@]1(C)[C@H](Br)CCN1C(=O)c1cc(Br)sc1Br 2315152367 QVPAQITYNGHAKZ-PRHODGIISA-N 460.029 5.051 50 10 JKGE C[C@H]1CC2CC([C@@H](Br)c3c(Br)sc(Br)c3Cl)(C2)O1 2319524747 ZRGCLBSRXZCIOJ-SRMMIXQFSA-N 479.459 6.320 50 10 JKGE Cc1ccc2nc(C(C#N)=Cc3ccc(N4N=C(c5ccccc5)C[C@@H]4c4ccccc4)cc3)[nH]c2c1 2331018484 ZUQDHSZPGMZHLU-WJOKGBTCSA-N 479.587 7.291 50 10 JKGE N#CC(=C(O)C12CC3CC(CC(C3)C1)C2)c1nc(-c2ccc(Oc3ccccc3)cc2)cs1 2331360177 LQSXDLIDNVKCQT-UHFFFAOYSA-N 454.595 7.611 50 10 JKGE COc1c(Cl)cc(-c2csc(C(C#N)=C(O)c3cccc(NC(C)=O)c3)n2)cc1Cl 2331397712 XDWGEYRZWUFEPO-UHFFFAOYSA-N 460.342 6.034 50 10 JKGE COc1ccc(OC)c(-c2csc(C(C#N)=Cc3ccccc3OCc3ccccc3Cl)n2)c1 2331450785 ZDWRKMFIMBGFAW-UHFFFAOYSA-N 488.996 7.124 50 10 JKGE CCCOc1c(C=C(C#N)c2nc(-c3ccc(OC)c4ccccc34)cs2)cccc1OC 2331489358 VFEAPQRLDNIAQE-UHFFFAOYSA-N 456.567 6.833 50 10 JKGE Cn1cnc2sc([C@@H](Br)c3cc(Br)ccc3OCc3ccccc3)cc21 2336087098 ULCBRJWMFIYPLU-IBGZPJMESA-N 492.236 6.461 50 10 JKGE CC(C)(F)[C@](C)(F)[C@@H](Br)c1c(Cl)cc(Br)c(F)c1Br 2337098690 RPDALURHDYTWTR-CMPLNLGQSA-N 487.379 6.916 50 10 JKGE Cc1cc(Br)c(F)c(Br)c1[C@H](Br)[C@H]1[C@H]2C[C@@H]3[C@H]1[C@@H]3C2 2339686665 ZTPKSEPJLWJLNT-ZDDLUVDMSA-N 452.987 5.997 50 10 JKGE Cc1scc([C@H](Cl)c2scc(C(F)(F)F)c2Br)c1Br 2343557894 OWHJAJPLPUUDFY-VIFPVBQESA-N 454.558 6.990 50 10 JKGE ClC[C@H]1CC2(CCC2)CN1Cc1ccc(I)c(Br)c1 2349837316 VASMPWXQZNVJJK-GFCCVEGCSA-N 454.577 5.037 50 10 JKGE C[C@H]1OC2(C)CC1([C@@H](Br)c1c(Cl)cc(Br)c(F)c1Br)C2 2362229939 WKYOVOAIYRESJE-BBHOERDKSA-N 491.420 6.398 50 10 JKGE C[C@@H]1CCC[C@H]([C@H](Br)c2c(Cl)cc(Br)c(F)c2Br)CC1 2362238633 WCFXPDZFOJMGBB-ZDMBXUJBSA-N 491.464 7.657 50 10 JKGE COc1ccc(CCO[C@@H]2CCCCC[C@@H]2I)c(Br)c1 2364694817 DYWUEEZSRCDKEA-JKSUJKDBSA-N 453.158 5.153 50 10 JKGE COc1c(Br)cc(C)c([C@H](Br)C(C)(C)C(C)(F)F)c1Br 2365187641 CBKUKPBPPXDJJZ-LBPRGKRZSA-N 478.997 6.646 50 10 JKGE COc1c(Br)cc(C)c([C@@H](Br)[C@H]2[C@@H]3CCCO[C@@H]32)c1Br 2365216076 QMUVXRCQDYKTTO-MBGOOHRESA-N 469.011 5.390 50 10 JKGE CN(Cc1c(Br)cccc1Br)CC1(CBr)CCCCC1 2366215276 FJGGANMXSCYTBF-UHFFFAOYSA-N 468.071 5.989 50 10 JKGE CC(C)n1ncc(Br)c1C[C@@H](CBr)c1ccccc1Br 2368178240 ZIDQCSZXPXOYAV-NSHDSACASA-N 465.027 5.710 50 10 JKGE O=C(N[C@@H](CCBr)COCc1ccccc1)c1cc(Cl)cc(C(F)(F)F)c1 2369432291 BSVYRPSXZAGTIU-KRWDZBQOSA-N 464.709 5.459 50 10 JKGE Cl[C@H]1[C@H](CNCc2ccc(I)c(Br)c2)CCC12CCC2 2377331192 IHZJGDUKOKRWHD-WFASDCNBSA-N 468.604 5.331 50 10 JKGE N#CC1=C2N=C(N)c3ccccc3N2C2=C(C(=O)C[C@@H](c3ccccc3)C2)[C@@H]1c1ccc(F)cc1 3654438 MFDUIKSPWTXOSK-AFMDSPMNSA-N 460.512 5.284 50 10 JKGE O=C(CCCOc1ccc(Cl)cc1Cl)NNC(=O)c1ccc(OCCc2ccccc2)cc1 14041590 JSNGEAODDKXMKQ-UHFFFAOYSA-N 487.383 5.235 50 10 JKGE CCOc1ccc(NC(=S)NNC(=O)c2ccc(-c3ccc(Cl)cc3Cl)o2)cc1 15429387 SEJBYZXBTBESIJ-UHFFFAOYSA-N 450.347 5.284 50 10 JKGE N#C/C(=C/c1ccc(OC(=O)c2cc(C(F)(F)F)cc(C(F)(F)F)c2)cc1)c1cccc(Cl)c1 31901524 IHENGDRNDGRJMO-IUXPMGMMSA-N 495.806 7.661 50 10 JKGE C[S@](=O)(=N/C=C(/C#N)C(=O)c1ccc(Cl)cc1)c1ccc(OC(=O)c2ccc(Cl)cc2)cc1 33920832 YNUHYJGSHKMVJQ-SGRGMICJSA-N 499.375 5.960 50 10 JKGE Cc1cc(/C=C(/C#N)C(=O)Nc2ccc3c(c2)OCCO3)c(C)n1-c1cccc(Cl)c1Cl 34720498 FYINJQUVWNJLFQ-BOPFTXTBSA-N 468.340 5.718 50 10 JKGE 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 38181598 RMMXCQYPMLANHJ-NUJZUDFISA-N 478.420 5.734 50 10 JKGE CC(C)c1ccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4ccc([N+](=O)[O-])cc4)ccc32)cc1 38649459 TYOCNJOMHHVROK-DEOSSOPVSA-N 455.470 5.156 50 10 JKGE CCCCOc1cccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)COc4c(C)cccc4C)ccc32)c1 38685152 HRJZYJNOMMZOJE-MUUNZHRXSA-N 498.579 5.685 50 10 JKGE CCCCOc1cccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4cccc5ccccc45)ccc32)c1 38685182 OWIYRIUWZGOERE-LJAQVGFWSA-N 490.559 6.456 50 10 JKGE CCc1ccc2oc(C(=O)Oc3ccc4c(c3)OC(N)=C(C#N)[C@@H]4c3ccccc3Cl)c(C)c2c1 38687633 KWPKJLFPKBKJQV-RUZDIDTESA-N 484.939 6.394 50 10 JKGE Cc1c(C(=O)Nc2ccccc2Cl)oc2c1/C(=N/NC(=O)c1cccc3ccccc13)CCC2 40813598 BJUBHWWHQUFVGH-JBASAIQMSA-N 471.944 6.117 50 10 JKGE CCOc1ccc(/C=C(\C#N)C(=O)Nc2nc(-c3ccc(Br)cc3)c(C)s2)cc1OC 40977744 RVAAJZKFHBYMAW-GZTJUZNOSA-N 498.402 5.834 50 10 JKGE CCOc1cc(/C=C(/C#N)c2nc3ccccc3[nH]2)c(Br)c(Br)c1O 50568331 ADTDRMLVNRRCHU-XFFZJAGNSA-N 463.129 5.256 50 10 JKGE O=C(N/N=C(/CSc1nc2ccccc2s1)c1ccc2ccccc2c1)c1ccccc1 59460622 ANJISWQPSZWDOX-NFFVHWSESA-N 453.592 6.376 50 10 JKGE O=C(N/N=C/c1cn(-c2ccccc2)nc1-c1ccc(Cl)cc1)c1cccc(Br)c1 59464246 WTONWUCZXWWPAK-VULFUBBASA-N 479.765 5.719 50 10 JKGE CC[C@H](C)c1ccc(OCC(=O)NNC(=O)C(C)(C)CCCOc2cc(C)ccc2C)cc1 66201462 FXXMQBUBDNQORM-FQEVSTJZSA-N 454.611 5.229 50 10 JKGE COc1ccc([C@@H](C(=O)NC2CCCCCC2)N(CCC2=CCCCC2)C(=O)CCl)cc1OC 97914922 BGRGKICMXMQOQY-SANMLTNESA-N 491.072 5.542 50 10 JKGE COc1cc(Br)c([C@@H](Cl)c2cc(Br)ccc2Cl)cc1OC 109817145 XMNOSMRWBKXPOS-OAHLLOKOSA-N 454.973 6.210 50 10 JKGE CC(C)CC(CBr)(CBr)Cc1ccc(I)cc1 118669744 NESKCSRKLFBVEZ-UHFFFAOYSA-N 474.018 5.656 50 10 JKGE FC(F)(F)c1cc([C@H](Br)c2sccc2Br)ccc1Br 124626910 YTXIUAZEBWRMMY-JTQLQIEISA-N 478.953 6.776 50 10 JKGE FC(F)Oc1ccccc1[C@@H](Br)c1cc(Br)c(Br)s1 128265213 MPSIGORIQVGFNI-SNVBAGLBSA-N 476.962 6.359 50 10 JKGE CCCCCC[C@@H](C)O[C@](C)(CI)c1ccccc1Br 162182908 PGJNOBGALQHIQH-RHSMWYFYSA-N 453.202 6.475 50 10 JKGE Clc1ccc(C[C@H](Br)c2csc3c(Br)cccc23)cc1Cl 163524770 ZSYPCOOMIDWCHT-ZDUSSCGKSA-N 465.037 7.649 50 10 JKGE Cc1ccc(COc2ccccc2/C=N\NC(=O)c2ccc3nc(SC(C)C)[nH]c3c2)cc1 169917814 ZOEQRQZNFUBBQJ-DICXZTSXSA-N 458.587 5.715 50 10 JKGE N#C/C(=C/Nc1cc(C(F)(F)F)cc(C(F)(F)F)c1)C(=O)N1CCN(c2ccc(F)cc2)CC1 217237433 WWQJZXNPXBOTAW-YPKPFQOOSA-N 486.391 5.031 50 10 JKGE COc1ccc([C@@H](Br)c2cc(F)cc(Br)c2)c(OC)c1Br 224861563 HDXDPKGDRUIEFB-ZDUSSCGKSA-N 482.969 5.852 50 10 JKGE CC(C)(C)[C@H](CCBr)NC(=O)c1cc(Br)sc1Br 231154335 YTOIXILUKVRPGE-QMMMGPOBSA-N 462.045 5.203 50 10 JKGE COc1cc(C)c(Br)cc1[C@H](Cl)c1ccc(I)c(Cl)c1 232344345 FRCUAXJZIPXWRJ-OAHLLOKOSA-N 485.974 6.352 50 10 JKGE O=C1Cc2cc([C@H](Br)c3cc(Br)sc3Br)ccc2N1 232484533 IZMZCSDJVBCTRA-LBPRGKRZSA-N 465.992 5.252 50 10 JKGE CC[C@H](C)c1ccc([C@H](Br)c2ccc(Br)cc2Br)cc1 234023790 GWSSYSPOLQGPMM-GTNSWQLSSA-N 461.035 7.209 50 10 JKGE COc1ccc(F)cc1[C@@H](Br)c1ccc(Br)cc1Br 234877942 DXRRFZACJHQFKN-AWEZNQCLSA-N 452.943 5.844 50 10 JKGE CCn1c(SCC(=O)NN=Cc2cccc(OCc3ccccc3)c2)nnc1-c1ccc(C)cc1 254505811 URKRKFWNIWBGEP-UHFFFAOYSA-N 485.613 5.095 50 10 JKGE Cc1nn(-c2ccccc2)c(Cl)c1C=NNC(=O)c1cc(Br)c(C)c(C)c1C 256022791 AXWOCKGFYHZAGH-UHFFFAOYSA-N 459.775 5.286 50 10 JKGE Fc1ccc2c(c1)nc(CCl)n2-c1cc(Br)ccc1I 312229319 FALAWBFPHFDILZ-UHFFFAOYSA-N 465.491 5.271 50 10 JKGE Fc1ccc(COc2c(Br)cc(Br)cc2CBr)cc1F 312537789 WCAVUMKFQCUNCG-UHFFFAOYSA-N 470.933 5.964 50 10 JKGE CC(C)(C)CCOCC(CBr)(CBr)c1ccc(Br)cc1 380688651 AEKRINKDDPPIGC-UHFFFAOYSA-N 471.071 5.930 50 10 JKGE CC(C)(C)OC(=O)NCCN1CCOCC[C@H]1c1ccccc1CO[Si](C)(C)C(C)(C)C 616599192 XMHOCIGLLPOUJU-QFIPXVFZSA-N 464.723 5.497 50 10 JKGE COCc1cc(Br)c([C@@H](Br)c2ccc(Br)cc2F)s1 688142239 BUSNEVJYALDWNP-LBPRGKRZSA-N 472.999 6.043 50 10 JKGE Cn1cc([C@@H](Br)c2cc(Br)sc2Br)nc1Br 698419393 MYQXBDNGJUMODA-ZETCQYMHSA-N 493.844 5.253 50 10 JKGE CC(C)Cc1ccc([C@@H](Br)c2scc(Br)c2Br)cc1 705470136 YFDIDMXZFNPCGY-CYBMUJFWSA-N 467.064 6.956 50 10 JKGE Fc1cccc(F)c1C[C@@H](Cl)c1ccc(I)c(Br)c1 721572717 MVZQUOKNAKTYJV-LLVKDONJSA-N 457.483 5.855 50 10 JKGE Cc1cc(C=NNC(=O)Cc2cccc3ccccc23)c(C)n1-c1ccc(C(=O)O)c(Cl)c1 1084089874 GONUIVPZIYMRCP-UHFFFAOYSA-N 459.933 5.292 50 10 JKGE CCN(CC)S(=O)(=O)c1ccc(C(=O)Oc2ccc(/C=C(\C#N)c3ccccc3OC)cc2)cc1 1615099299 TZHZPAJBPKHGEZ-RELWKKBWSA-N 490.581 5.009 50 10 JKGE CCOc1ccccc1NC(=O)c1oc2c(c1C)C(=NNC(=O)c1ccc(Cl)cc1)CCC2 1772743437 AIPQZMOOHHKSKX-UHFFFAOYSA-N 465.937 5.363 50 10 JKGE Cc1c(C(=O)Nc2cccc(C(F)(F)F)c2)oc2c1C(=NNC(=O)c1ccccc1Cl)CCC2 1772744123 QIIDYIBMWMBUQJ-UHFFFAOYSA-N 489.881 5.983 50 10 JKGE COC(=O)c1ccc(OC(=O)c2oc3c(c2C)C(=NNC(=O)c2cccc4ccccc24)CCC3)cc1 1772747571 JJWJGEMOENTFRE-UHFFFAOYSA-N 496.519 5.217 50 10 JKGE COc1cccc(C(=O)NN=C2CCCc3oc(C(=O)Nc4ccccc4Br)c(C)c32)c1 1772749962 SXNZETLOMIQROZ-UHFFFAOYSA-N 496.361 5.082 50 10 JKGE COc1cc(C=NNC(=O)COc2ccc(C)c(C)c2)ccc1OCc1c(Cl)cccc1Cl 1772753818 KIYYCQREBOSNMJ-UHFFFAOYSA-N 487.383 5.727 50 10 JKGE N#CSc1ccc(NC(=O)c2cc(CCc3ccccc3)n(Cc3ccc(Cl)cc3)n2)cc1 1862326488 FVOPSPJUQBJUMZ-UHFFFAOYSA-N 473.001 6.195 50 10 JKGE COc1ccc2ccccc2c1[C@@H]1C(C#N)=C(N)Oc2c1c(C(F)(F)F)nn2-c1ccccc1Cl 1865687826 BCMOZXFPKOGLSV-FQEVSTJZSA-N 496.876 5.924 50 10 JKGE CCOc1cccc([C@@H]2C(C#N)=C(N)Oc3c2c(-c2ccc(OC)cc2)nn3-c2ccccc2Cl)c1 1865690125 JGSKPWRTPGLZPS-XMMPIXPASA-N 498.970 5.818 50 10 JKGE CCCCCOc1ccc([C@@H]2C(C#N)=C(N)Oc3c2c(CC)nn3-c2cccc3ccccc23)cc1 1865692194 CEISFNSGXPDCGT-HHHXNRCGSA-N 478.596 6.375 50 10 JKGE CCCOc1ccccc1[C@H]1C(C#N)=C(N)Oc2c1c(CCC)nn2Cc1ccc(Cl)cc1 1865703615 XBYQSQRLSFDUDP-QHCPKHFHSA-N 462.981 5.544 50 10 JKGE N#CSc1ccc(NC(=O)[C@@H](NC(=O)c2cccc(-n3cccc3)c2)c2ccccc2)cc1 1866616870 MVKBBUVOFWOSLG-DEOSSOPVSA-N 452.539 5.160 50 10 JKGE COc1c(Cl)cc(-c2csc(/C(C#N)=C(\O)Cc3cccc4ccccc34)n2)cc1Cl 1872755813 HNVMTHPZXNIPEB-PYCFMQQDSA-N 467.377 7.314 50 10 JKGE COc1ccc(-c2csc(/C(C#N)=C/c3ccc(OCCCc4ccccc4)c(OC)c3)n2)cc1C 1872780795 LSXWIPSKADNGDP-KOEQRZSOSA-N 496.632 7.212 50 10 JKGE COc1ccccc1-c1csc(/C(C#N)=C/c2ccc(OCc3ccccc3Cl)cc2)n1 1872784553 UBLMORKKVUOIIJ-XSFVSMFZSA-N 458.970 7.115 50 10 JKGE C[C@@]1(Cn2c(CCl)nc3c(Br)cc(F)cc32)CCCN1Cc1ccccc1 1912683372 HCZSKINLBQYVLQ-NRFANRHFSA-N 450.783 5.731 50 10 JKGE COc1cc([C@H](Br)c2sc(Br)cc2Br)ccc1F 1922947115 YPIIFOJPFQQNRK-NSHDSACASA-N 458.972 5.905 50 10 JKGE Clc1c(Br)sc(Br)c1[C@@H](Cl)Cc1ccc(Br)cc1 1923039450 OUHPHRYHHNVWOX-QMMMGPOBSA-N 493.873 7.212 50 10 JKGE CC[C@@]1([C@@H](Cl)c2c(Br)sc(Br)c2Br)CC1(F)F 1924568175 CJRJHHTUGMTTTH-RCOVLWMOSA-N 473.402 6.751 50 10 JKGE CC1(C[C@H](Br)c2c(Br)sc(Br)c2Br)CC1 1924604518 CTPRZVXBVJPMKO-YFKPBYRVSA-N 481.873 6.662 50 10 JKGE Cc1csc([C@@H](Br)c2sc(Cl)cc2Br)c1Br 1939882612 POBWNTHOAYPPPR-QMMMGPOBSA-N 465.457 6.781 50 10 JKGE CCC(C)(CC)[C@H](Br)c1c(Br)sc(Br)c1Br 1985603735 DPIZVASUERKOBH-MRVPVSSYSA-N 497.916 7.298 50 10 JKGE CCC(CBr)(CBr)Cc1ccc(Cl)c(Br)c1F 2001881546 GFCMGPLJBDBPOL-UHFFFAOYSA-N 451.399 5.970 50 10 JKGE Cc1cc(C(=O)N(Cc2ccccc2)[C@H](CBr)C2CC2)ccc1I 2026130586 JCNBMQKRTMBTRU-LJQANCHMSA-N 498.202 5.416 50 10 JKGE CCCCC[C@@H](CC)O[C@]1(CI)CCCN(C(=O)OC(C)(C)C)C1 2026329620 TTWGPQXOFYFQLX-APWZRJJASA-N 453.405 5.567 50 10 JKGE CCc1cc(Br)c([C@H](Br)c2ccc(Br)cc2C)s1 2029234566 HGVIIHIGVKEQLR-CYBMUJFWSA-N 453.037 6.628 50 10 JKGE C[C@@H](Br)C[C@@H]1CCCN1C(=O)c1csc(Br)c1Br 2032953848 RGNAHEPCWJDKFE-SFYZADRCSA-N 460.029 5.051 50 10 JKGE FC(F)(F)c1cc(CBr)ccc1-c1ccc(CBr)cc1C(F)(F)F 2037569117 LDFDFYHVSYDXEK-UHFFFAOYSA-N 476.052 7.181 50 10 JKGE CCOc1ccc([C@@H](Br)c2cscc2OCc2ccccc2)cc1Br 2038686854 UIFXSQWJWFUQMD-HXUWFJFHSA-N 482.237 6.973 50 10 JKGE CC[C@H]1CN(CC2(CBr)CCCC2)[C@H](CC)CN1C(=O)OCc1ccccc1 2044626092 DAENFSJURMLUIM-RTWAWAEBSA-N 451.449 5.453 50 10 JKGE Cc1cc(Br)c(CBr)c(N2C[C@H](C)N(Cc3ccccc3)C[C@@H]2C)c1 2053210863 BYVCMDFEYOFYTN-IRXDYDNUSA-N 466.261 5.752 50 10 JKGE CO[C@H]1C[C@@H]([C@@H](Br)c2cc(Br)c(Br)s2)C[C@H]1OC 2054486613 MREZQAJSZHVJAP-DYUFWOLASA-N 463.029 5.149 50 10 JKGE C=C(C)[C@H](CC[C@](C)(O)[C@@H]1CC[C@]2(C)[C@@H]1CC[C@@H]1[C@](C)(CCC(=O)O)[C@H](C(=C)C)CC[C@]12C)OO 2069577917 OMFAFUDUOLRUGX-IODSQUAHSA-N 490.725 7.258 50 10 JKGE CC1(C)C[C@H]1CCCOc1c(Br)cc(CBr)cc1Br 2088157813 LQNJTFIJXUALOL-LLVKDONJSA-N 455.028 6.312 50 10 JKGE BrCc1cc(Br)cc(Br)c1O[C@H]1[C@H]2CCCCC[C@H]21 2111897446 FDKKGWOWUNLDNM-JJLQDPRZSA-N 453.012 6.064 50 10 JKGE CN(Cc1ccccc1)[C@@H]1CCCCN(c2c(CCl)ccc(Br)c2Cl)C1 2112858452 IOULJJOEIZYMIG-GOSISDBHSA-N 456.255 6.332 50 10 JKGE CN(Cc1sccc1Br)c1cc(Br)cc(F)c1CBr 2114268025 RIAPGDNEEONZND-UHFFFAOYSA-N 472.015 5.944 50 10 JKGE C[C@H](N(Cc1ccccc1)S(=O)(=O)c1ccc(CBr)c(Cl)c1)C(C)(C)C 2123202832 BTCHXPFVOJIKKS-HNNXBMFYSA-N 458.849 5.860 50 10 JKGE Cc1cc(CN(C)c2ccc(CBr)cc2Br)sc1Br 2137585920 BDBZQRQDYLGMBZ-UHFFFAOYSA-N 468.052 6.113 50 10 JKGE FC(F)(F)C([C@@H](Br)c1ccc(Br)cc1Br)C(F)(F)F 2138848959 CHEGRPKHPCYZCO-ZETCQYMHSA-N 478.850 6.388 50 10 JKGE C[C@@H](CC(CBr)(CBr)c1cccc(Br)c1)P(C)(C)=O 2139866822 KDWOVWLTZOPLAQ-NSHDSACASA-N 474.999 5.878 50 10 JKGE ClCc1ccc(Br)c(Cl)c1N1CCC[C@]2(CCN(Cc3ccccc3)C2)C1 2163315115 YKSFEVIYVQWOSI-JOCHJYFZSA-N 468.266 6.334 50 10 JKGE CN(Cc1cncc(Br)c1)c1cc(Br)cc(F)c1CBr 2170694668 GQJJMFINVATAEU-UHFFFAOYSA-N 466.974 5.277 50 10 JKGE CN(C(=O)c1c(Br)cccc1Br)C1CCC(CBr)CC1 2171120650 ZGNMDNSXCGEZFV-UHFFFAOYSA-N 468.027 5.237 50 10 JKGE BrCc1cc(Br)c(OC[C@H]2CC3(CCCC3)O2)c(Br)c1 2189615368 QBMOAUAWYYLIOL-LLVKDONJSA-N 469.011 5.587 50 10 JKGE Cc1cc(Br)c(C)c([C@H](Br)[C@@H]2CC23CCOCC3)c1Br 2201061692 HJJAQCGTRVZSHT-XHDPSFHLSA-N 467.039 6.081 50 10 JKGE COc1cc(Cl)c([C@@H](Cl)c2cccc(F)c2I)cc1Br 2202344694 AVEDCDPVADVFHY-ZDUSSCGKSA-N 489.937 6.183 50 10 JKGE CC(C)n1nc(Br)cc1C[C@H](Br)c1ccc(Br)cc1 2224268957 HJHFDRDFZZRJJL-ZDUSSCGKSA-N 451.000 5.668 50 10 JKGE Cc1cc(Br)c([C@@H](Cl)c2cccc(I)c2)c(C)c1Cl 2224311727 NFVIPBLVGVTZBP-HNNXBMFYSA-N 469.975 6.652 50 10 JKGE Cc1c(Br)ccc([C@H](Br)[C@@H]2CC[C@@H]2C(F)(F)F)c1Br 2224380450 QYSASINRNGOWPY-VFWDIBGWSA-N 464.945 6.545 50 10 JKGE Fc1cc(Br)c(Br)cc1[C@H](Cl)Cc1ccc(Br)cc1 2225632696 DUUDQFMIROGZHS-CYBMUJFWSA-N 471.389 6.636 50 10 JKGE COc1cc(C)c(Br)cc1[C@@H](Br)c1sc(C)cc1Br 2229326310 VFHZTMGOGCMOMB-CYBMUJFWSA-N 469.036 6.383 50 10 JKGE CC(C)(C)OC(=O)N1CCC(CI)(O[C@H]2CCC[C@H](C(F)(F)F)C2)CC1 2231395917 ZWTYXQKFXGLZAS-KBPBESRZSA-N 491.332 5.329 50 10 JKGE Cc1ccc(I)c([C@H](Br)Cc2cc(Cl)cc(Cl)c2)c1 2232183673 PPVLFRVNELRKDB-CQSZACIVSA-N 469.975 6.585 50 10 JKGE Brc1ccc([C@H](Br)Cc2cc(Br)nn2CC2CC2)cc1 2233302346 HHQVZPSEPHXGDF-CQSZACIVSA-N 463.011 5.497 50 10 JKGE Fc1cc(Br)c(Br)cc1[C@@H](Br)c1ccc2c(c1)CCO2 2233977526 VVGLLANPTHDJLR-HNNXBMFYSA-N 464.954 5.770 50 10 JKGE Fc1cc(Br)c(Br)cc1[C@@H](Br)[C@@H]1CCCCCC1(F)F 2233982155 RGSMDOHSOVYQQV-TVQRCGJNSA-N 478.972 7.002 50 10 JKGE COc1c(C)cc(Br)cc1[C@H](Br)c1sc(C)c(Br)c1C 2234472437 VXUFWUOOFYJLFQ-ZDUSSCGKSA-N 483.063 6.691 50 10 JKGE COc1cc(Br)c([C@@H](Br)c2cc(Cl)ccc2Br)cc1C 2236006083 ATMSXLAJDBKKSP-OAHLLOKOSA-N 483.425 6.666 50 10 JKGE Cc1sc(CN(C)c2cc(Br)ccc2CBr)c(Br)c1C 2237723929 HBHPOFUXQSYNOH-UHFFFAOYSA-N 482.079 6.421 50 10 JKGE COC1([C@H](Br)c2c(Br)sc(Br)c2Cl)CC(C)C1 2247496473 OQPLRPRDUVWLDN-GBZMYTLWSA-N 467.448 6.178 50 10 JKGE Fc1cc(Br)c(F)c(Br)c1[C@H](Br)C1CC2(COC2)C1 2272839536 GQUQHOWKKFVMRV-SNVBAGLBSA-N 460.938 5.352 50 10 JKGE COC[C@]1(C)C[C@@H]1[C@H](Br)c1c(F)cc(Br)c(F)c1Br 2272844580 PQVUYODFIPYFIN-FZTXSHAMSA-N 462.954 5.598 50 10 JKGE C[C@H](C1CCCCC1)[C@@H](Br)Cc1cc(Br)cc(Br)c1 2277965817 NMYISJVWMGVQAF-BZNIZROVSA-N 453.056 6.734 50 10 JKGE CCOc1ccc(NC(=O)C(C#N)=Cc2cc(C)n(-c3ccc(Br)cc3)c2C)cc1 2294168527 PPNGGACYGFUCPQ-UHFFFAOYSA-N 464.363 5.801 50 10 JKGE CCOc1cc(C=C(C#N)C(=O)Nc2ccccc2)ccc1OCc1ccc(Cl)c(Cl)c1 2294262187 NUGGCPZWZVECGF-UHFFFAOYSA-N 467.352 6.517 50 10 JKGE CCCN1CC(=Cc2ccccc2Cl)C2=C(C1)[C@@H](c1ccccc1Cl)C(C#N)=C(N)O2 2297455223 GNLYZBQDDKUARK-QHCPKHFHSA-N 452.385 5.864 50 10 JKGE CCC1([C@H](Br)c2ccc(OCc3ccccc3)cc2Br)CCCC1 2299495469 LCSCUCAPPPXFTF-HXUWFJFHSA-N 452.230 7.435 50 10 JKGE Brc1cc(C[C@@H]2[C@H]3CC[C@@H](C3)[C@@H]2Br)ccc1I 2306218145 XFGVCANRHREBKF-DYNIEEOBSA-N 469.986 5.406 50 10 JKGE CC(C)OC[C@H](Br)CCc1ccc(I)c(Br)c1 2306223900 KPQLDYZTJMTGMG-LLVKDONJSA-N 475.990 5.175 50 10 JKGE CCOc1cc(C=C(C#N)C(=O)Nc2ccc(Cl)c(Cl)c2)ccc1OCc1cccc(C)c1 2313630881 HCQGLQFQAOFVDL-UHFFFAOYSA-N 481.379 6.825 50 10 JKGE Cc1cc([C@H](Br)c2ccc(OCc3ccccc3)cc2Br)ccc1Cl 2314448787 KNYBSMPYWSXFQF-NRFANRHFSA-N 480.627 7.474 50 10 JKGE N#CC(=Cc1cn(-c2ccccc2)nc1-c1ccc(Cl)cc1)c1ccc(Cl)cc1Cl 2314487388 IGHZAGJJEQTERT-UHFFFAOYSA-N 450.756 7.564 50 10 JKGE CC1=C(C#N)C(=O)N(Cc2ccccc2)C(=O)C1=Cc1ccc(-c2ccc(Cl)c(Cl)c2)o1 2314610382 HECBCJPMOQGHOL-UHFFFAOYSA-N 463.320 6.046 50 10 JKGE CCOc1cc(C=C2C(=O)N([C@@H](C)CC)C(=O)C(C#N)=C2C)ccc1OCc1ccccc1F 2314611519 WFJHBSMQFOADQK-KRWDZBQOSA-N 462.521 5.194 50 10 JKGE Fc1c(Br)cc(Cl)c([C@@H](Cl)c2csc(Cl)c2)c1Br 2315443821 NUOUWPUNZLZJHD-JTQLQIEISA-N 453.385 7.047 50 10 JKGE Fc1c(Br)cc(Cl)c([C@H](Cl)c2csc(Br)c2)c1Br 2315453103 JOKCULRKSHXSSW-SNVBAGLBSA-N 497.836 7.156 50 10 JKGE Cc1c(Br)sc([C@H](Br)C[C@@H]2CC[C@H]2C2CC2)c1Br 2319490104 STNCUMRWNNZPCK-GARJFASQSA-N 457.069 6.844 50 10 JKGE Cc1c(Br)sc([C@H](Br)C[C@H]2CC[C@H]2C2CC2)c1Br 2319490107 STNCUMRWNNZPCK-OUAUKWLOSA-N 457.069 6.844 50 10 JKGE CC(C)(C)OC(=O)N1CCC[C@@H](C(=O)NN=Cc2ccc(OCc3cccc(Cl)c3)cc2)C1 2321721599 QZPMVVRTMYVVPH-HXUWFJFHSA-N 471.985 5.016 50 10 JKGE CCOc1cc(C=C(C#N)c2nc(O)c3cc(OC)c(OC)cc3n2)ccc1OCc1ccccc1C 2331042469 CKGVLEHSJROEFI-UHFFFAOYSA-N 497.551 5.703 50 10 JKGE CCc1ccc(OCCCC(O)=C(C#N)c2nc(-c3ccc(C)cc3)cs2)c(Br)c1 2331312528 IIPDLUABVCNRAA-UHFFFAOYSA-N 483.431 7.095 50 10 JKGE CCCOc1ccc(-c2csc(C(C#N)=C(O)c3ccc4c(c3)C(=O)N([C@H](C)CC)C4=O)n2)cc1 2331318470 OONDINPQEBTCCZ-MRXNPFEDSA-N 487.581 5.943 50 10 JKGE COc1ccc(C=CC(O)=C(C#N)c2nc(-c3ccc(OC)cc3OC)cs2)c(OC)c1 2331385630 TUPPKVSFRUJLMY-UHFFFAOYSA-N 450.516 5.351 50 10 JKGE CCOc1ccc(-c2csc(C(C#N)=C(O)c3ccc(OC)c(OC)c3)n2)c(OCC)c1 2331386963 IPYWMQNBZNDFFR-UHFFFAOYSA-N 452.532 5.575 50 10 JKGE Fc1c(Br)cc(Cl)c([C@H](Br)[C@@H]2CCCOCC2)c1Br 2337103388 JFYPCAYTNSPZEF-RDDDGLTNSA-N 479.409 6.257 50 10 JKGE COc1c(Br)cc(C)c([C@H](Br)c2coc(C)c2)c1Br 2339662425 LIHJCEVEXUPJOY-GFCCVEGCSA-N 452.968 5.914 50 10 JKGE ClCc1ccc(Br)c(OCc2c(Br)cccc2Br)n1 2340599742 FZUHHNKPCROBNX-UHFFFAOYSA-N 470.386 5.687 50 10 JKGE C[C@@H]1C[C@H]2C[C@]([C@@H](Br)c3cc(Br)c(Br)cc3F)(C2)O1 2342638824 FOXBWUOMFWFDHW-WTVOAAGRSA-N 456.975 5.744 50 10 JKGE CCC[C@H](CC)CC(CBr)(CBr)c1cccc(Br)c1 2353449896 KENBZKXYTKCZCK-ZDUSSCGKSA-N 455.072 6.693 50 10 JKGE Fc1cc(Br)c(F)c(Br)c1[C@@H](Br)[C@H]1CC[C@@H]2[C@H]1C2(F)F 2359722100 QMZWLQYYAVXJQN-NJRKRBMHSA-N 480.919 6.217 50 10 JKGE Fc1cc(Cl)c(Br)c(Cl)c1[C@@H](Br)c1ccc(Cl)c(Cl)c1 2360426597 NBQPLUBGJVEHJI-NSHDSACASA-N 481.801 7.686 50 10 JKGE O=S1(=O)CCCC[C@H]1[C@H](Cl)c1c(Cl)cc(Br)c(F)c1Br 2362223465 HYAIPOKSUOUDGV-KWQFWETISA-N 468.997 5.251 50 10 JKGE FC(F)(F)c1ccc(C[C@H](Br)c2sc(Cl)cc2I)cc1 2363890981 FFMIIEIKRVLCGI-VIFPVBQESA-N 495.529 6.704 50 10 JKGE Cc1c([C@@H](Br)c2cc(C3CC3)c(Br)s2)ccc(Cl)c1Cl 2364552361 XTRWNLDMAJMWDT-CYBMUJFWSA-N 455.042 7.488 50 10 JKGE COc1c(Br)cc(C)c([C@@H](Cl)c2c(Br)ncn2C)c1Br 2365185279 IPHUAJJXJGEXEN-SNVBAGLBSA-N 487.417 5.353 50 10 JKGE Cc1cc(Br)c(F)c(Br)c1[C@@H](Br)[C@@H]1[C@@H]2[C@H]1CCC2(F)F 2365190660 HAJGFPQOSUFSCD-WBAWJMECSA-N 476.956 6.386 50 10 JKGE CC(C)(C)OC(=O)N1CCC[C@](CI)(OCc2cccc(C(F)(F)F)c2)C1 2381380999 VQIOUSZMHYJPBI-GOSISDBHSA-N 499.311 5.427 50 10 JKGE O=C(NC1CCCCC1)[C@@H](c1ccc(Cl)cc1)N(CCc1ccccc1Cl)C(=O)CCl 3035236 HZOXLBRRAKYUDI-HSZRJFAPSA-N 481.851 5.794 50 10 JKGE CCn1c2ccccc2c2cc(/C=N/NC(=O)[C@H](C)Oc3ccc(Cl)cc3Cl)ccc21 12577514 FEBDMLOJMKZGCJ-FYDYWCEBSA-N 454.357 6.039 50 10 JKGE N#C/C(=C\c1ccc(OCc2ccccc2)c(OCc2ccccc2)c1)c1nc(O)c2ccccc2n1 12779138 OLXVPJOMVCYXBX-KOEQRZSOSA-N 485.543 6.558 50 10 JKGE C=CCOc1ccc(-c2nn(-c3ccccc3)cc2/C=C(/C#N)C(=O)NCc2cccnc2)c(C)c1 34782867 KBJRCHKTMZUGIU-KQWNVCNZSA-N 475.552 5.031 50 10 JKGE Cc1cccc(OCC(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@@H]3c2cccc(Cl)c2)c1C 38651231 XEZYNRNBVBYQQB-RUZDIDTESA-N 460.917 5.159 50 10 JKGE Cc1c(Cl)cccc1NC(=O)c1oc2c(c1C)/C(=N/NC(=O)c1ccc3ccccc3n1)CCC2 40825791 WXEYKLJPRXMSHR-NJZRLIGZSA-N 486.959 5.821 50 10 JKGE Cc1c(C(=O)Oc2cccc3ccccc23)oc2c1/C(=N/NC(=O)c1ccccc1O)CCC2 40826503 KGMNRRHOSKEMPY-VFCFBJKWSA-N 454.482 5.136 50 10 JKGE COc1ccc(/C=C(\C#N)C(=O)Nc2ccc3c(c2)OCO3)cc1OCc1cccc(C(F)(F)F)c1 58978681 IVVNWDLNWGDJSQ-GIJQJNRQSA-N 496.441 5.567 50 10 JKGE COc1cccc(/C(CSc2nc3ccccc3[nH]2)=N\NC(=O)c2cccc(Cl)c2)c1 59460689 IUZXFHUAWRGQBP-MEFGMAGPSA-N 450.951 5.151 50 10 JKGE CCCCCCCCCCCCCC(=O)NNC(=O)CCC(=O)Nc1ccc(OCC)cc1 100442997 HMHADSFVXPQFJN-UHFFFAOYSA-N 461.647 5.653 50 10 JKGE Fc1ccc([C@H](Br)c2cc(Br)sc2Br)c(Cl)c1 104040392 MSHXIELKIRPMKT-JTQLQIEISA-N 463.391 6.550 50 10 JKGE Cc1cccc(CS/C(Nc2c(C)cc(C)cc2C)=C(/C#N)S(=O)(=O)c2ccccc2)c1 104689492 JSLHXTGZNKZYHE-LCUIJRPUSA-N 462.640 6.432 50 10 JKGE C[C@H](Cl)c1nc2cc(I)ccc2n1-c1cc(Cl)ccc1Br 125849804 FSMNVDSOSMROEB-QMMMGPOBSA-N 495.973 6.346 50 10 JKGE Brc1cc([C@@H](Br)Cc2ccc3ccccc3n2)sc1Br 128613321 JBXBKCBTCHMMAP-NSHDSACASA-N 476.031 6.500 50 10 JKGE COc1c(Br)cc(Cl)cc1[C@@H](Br)c1ccc(C)c(Br)c1 130436125 CRXVWDMSJDXKFA-AWEZNQCLSA-N 483.425 6.666 50 10 JKGE Cc1ccc2nc(-c3ccc(N/C=C(/C#N)C(=O)Nc4ccc([N+](=O)[O-])cc4)cc3)sc2c1 217232520 QMMGPBWICDVXKG-VKAVYKQESA-N 455.499 5.638 50 10 JKGE CCOc1ccc([C@@H](Br)c2cc(Br)ccc2F)cc1Br 228995736 DRWJBCKHDXCGAR-OAHLLOKOSA-N 466.970 6.234 50 10 JKGE Clc1cc([C@@H](Br)c2ccc3c(c2)CCCC3)ccc1I 232342527 ZHLMPUWIWBIARC-KRWDZBQOSA-N 461.568 6.308 50 10 JKGE COc1ccc([C@@H](Br)c2cc(Br)ccc2I)c(C)c1 234971530 IFFCFDWHDQZENQ-OAHLLOKOSA-N 495.980 5.855 50 10 JKGE COc1cc(C=NNC(=O)c2cc(-c3cccc(OC(C)C)c3)nc3ccccc23)ccc1O 252628648 SVARDTVJJPCTFV-UHFFFAOYSA-N 455.514 5.167 50 10 JKGE O=C(CN(Cc1ccccc1)Cc1ccccc1)NN=Cc1c2ccccc2cc2ccccc12 254825907 UTCDCSDGHIWWKT-UHFFFAOYSA-N 457.577 6.146 50 10 JKGE CC1=C(/C=C/[C@](C)(CCC[C@@H](C)CCC[C@H](C)CCCC(C)C)OO)C(=O)c2ccccc2C1=O 256497055 YUTUNMUCBDSKNC-GMDMHZKDSA-N 482.705 8.626 50 10 JKGE Cc1cc(C(=O)[C@H](C)Cl)c(C)n1-c1ccc(I)cc1Br 380211470 HCYMIYDHSMRPQA-VIFPVBQESA-N 466.544 5.271 50 10 JKGE C[C@@]1(Cn2c(CCl)nc3cc(I)ccc32)CCCN1Cc1ccccc1 398058631 IZKWJZAVARBMBZ-NRFANRHFSA-N 479.793 5.434 50 10 JKGE Brc1ccc(Br)c([C@H](Br)c2cscc2Br)c1 404793700 PRQOHBLBGRYYPR-NSHDSACASA-N 489.852 6.520 50 10 JKGE CC(C)(CCOc1c(Br)cc(Br)cc1CBr)C1CC1 406124905 TWRHEVYILSHHLJ-UHFFFAOYSA-N 455.028 6.312 50 10 JKGE Clc1ccc(Br)c(COc2cccc(Br)c2CBr)c1 706820198 VXFZYMOINWJQOS-UHFFFAOYSA-N 469.398 6.339 50 10 JKGE FC(F)(F)Sc1c(CBr)sc2cccc(I)c12 725283721 MZBIVRHICUWUOU-UHFFFAOYSA-N 453.086 6.013 50 10 JKGE Cc1cc(C=NNC(=O)CSCc2ccc(Cl)cc2)c(C)n1-c1ccc(Cl)c(Cl)c1 725421673 ZXVQPFODQQCBRL-UHFFFAOYSA-N 480.848 6.438 50 10 JKGE COc1cc(/C=C\C(=O)Oc2ccc([N+](=O)[O-])cc2)ccc1OCc1ccc(C(C)(C)C)cc1 1082441835 BQYGCYQHDAMKLV-PXNMLYILSA-N 461.514 6.099 50 10 JKGE CCCCCC(=NNC(=O)COc1ccc2ccccc2c1Br)c1ccccc1 1083954581 FVEKPOFQBSCAMQ-UHFFFAOYSA-N 453.380 6.082 50 10 JKGE Cc1ccc(-c2ccccc2)n1-c1ccc(C(=O)NN=Cc2ccc(-c3ccccc3C(=O)O)o2)cc1 1084164853 LWMXJCSTUDNVTK-UHFFFAOYSA-N 489.531 6.175 50 10 JKGE Cc1cc(-c2ccc(/C=C(/C#N)C(=O)Nc3ccc(Br)cc3)o2)ccc1Br 1084340353 CDGBIOFLMBUXGV-PTNGSMBKSA-N 486.163 6.326 50 10 JKGE Cc1cccc(NC(=O)/C(C#N)=C\c2cn(Cc3ccc(Cl)cc3Cl)c3ccccc23)c1C 1084357553 BZVAXVLIHUXCTG-NDENLUEZSA-N 474.391 7.159 50 10 JKGE CCOc1cc(/C=C(/C#N)C(=O)Nc2cccc(C(F)(F)F)c2)ccc1OCc1cccc(C)c1 1084636372 BHUHQQGCKWAWTA-BKUYFWCQSA-N 480.486 6.537 50 10 JKGE Cc1ccc(OCCCC(=O)NN=Cc2ccc(OCc3ccccc3)cc2)c(Br)c1 1772755462 ILLARSXRTRESTK-UHFFFAOYSA-N 481.390 5.646 50 10 JKGE CC(C)(C)c1ccc([C@H]2C(C#N)=C(N)Oc3c2c(C(F)(F)F)nn3-c2ccc(Cl)cc2)cc1 1865681923 AREHJRRUQBTCIW-SFHVURJKSA-N 472.898 6.060 50 10 JKGE Cc1ccc([C@@H]2C(C#N)=C(N)Oc3c2c(-c2ccccc2)nn3-c2ccc(Cl)c(Cl)c2)cc1 1865685603 KNOGRJCRZBMHJM-JOCHJYFZSA-N 473.363 6.373 50 10 JKGE CCOc1cc([C@@H]2C(C#N)=C(N)Oc3c2c(C)nn3CC(C)C)ccc1OCc1ccc(C)cc1 1865688140 KHVCNJUAOUVHPJ-AREMUKBSSA-N 472.589 5.352 50 10 JKGE CCCc1nn(Cc2ccccc2Cl)c2c1[C@@H](c1c(OC)ccc3ccccc13)C(C#N)=C(N)O2 1865688732 ZLBYOMQPQPULSC-RUZDIDTESA-N 484.987 5.917 50 10 JKGE CCOc1ccc([C@@H]2C(C#N)=C(N)Oc3c2c(-c2ccccc2)nn3Cc2ccc(F)cc2)cc1OC 1865695268 NBDGMBQUJNAWSC-RUZDIDTESA-N 496.542 5.363 50 10 JKGE CCCc1nn(Cc2ccc(Cl)c(Cl)c2)c2c1[C@@H](c1c[nH]c3ccccc13)C(C#N)=C(N)O2 1865699918 GHQGVCGJPAKNLE-JOCHJYFZSA-N 478.383 5.890 50 10 JKGE COc1ccc(-c2ccc(C(=O)N/N=C\c3cccc(OCc4ccccc4)c3)c(C)n2)cc1 1865761951 FGQZHBVKZFYGIB-MIXAMLLLSA-N 451.526 5.409 50 10 JKGE CCc1nc(Nc2ccc(SC#N)cc2)cc(N2CCO[C@H](c3ccc(Br)cc3)C2)n1 1868278173 VGIUJTWUMSQQCY-FQEVSTJZSA-N 496.434 5.696 50 10 JKGE COc1cc(/C=C2\Oc3cc(OCc4cccc(CCl)c4)ccc3C2=O)cc(OC)c1OC 1871437319 ROIXCDYKDGYLDB-YVNNLAQVSA-N 466.917 5.646 50 10 JKGE N#C/C(=C(O)\C=C\c1ccc(Cl)cc1Cl)c1nc(-c2ccc3c(c2)OCCO3)cs1 1872750861 NESXEMPMYUVKEV-FZZKVUHISA-N 457.338 6.394 50 10 JKGE COc1cc(C)c(-c2csc(/C(C#N)=C(\O)Cc3cc(Cl)ccc3Cl)n2)cc1C(C)C 1872751613 PRAXCJUKYJDIJC-QOCHGBHMSA-N 473.425 7.593 50 10 JKGE CC(C)C[C@@H](/C(O)=C(\C#N)c1nc(-c2ccc3c(c2)OCO3)cs1)N1C(=O)c2ccccc2C1=O 1872752386 AAEAXBKTAZGBIH-IRJMIRDBSA-N 487.537 5.042 50 10 JKGE N#C/C(=C(/O)CCCN1C(=O)c2ccccc2C1=O)c1nc(-c2c[nH]c3ccccc23)cs1 1872753206 LWIJKBRBKYNNDP-PYCFMQQDSA-N 454.511 5.160 50 10 JKGE COc1ccc(/C=C/C(O)=C(\C#N)c2nc(-c3cc(C(C)C)c(OC)cc3C)cs2)cc1OC 1872754027 ZANBTPRPGKRMHP-VRPDZLECSA-N 476.598 6.774 50 10 JKGE COc1cc(C)c(-c2csc(/C(C#N)=C(O)/C=C/c3ccc(Cl)c(Cl)c3)n2)cc1C 1872758174 OGFFPMAJPZDISX-BUJUPJCASA-N 457.382 7.248 50 10 JKGE COc1ccc(-c2csc(/C(C#N)=C(\O)C(c3ccccc3)c3ccccc3)n2)c2ccccc12 1872758558 GNJSBAWFKKLOAV-GNVQSUKOSA-N 474.585 7.597 50 10 JKGE COc1ccc(-c2csc(/C(C#N)=C/c3cc(Br)c(OC(C)C)c(OC)c3)n2)cc1C 1872780827 NEYFYCRIJZOZQC-GIJQJNRQSA-N 499.430 6.750 50 10 JKGE CC(C)C[C@H](NC(=O)OC(C)(C)C)C(=O)N/N=C/c1ccc(OCc2ccccc2Cl)cc1 1873793324 JCNNMJQOQFCGQF-QYJQOTDOSA-N 474.001 5.309 50 10 JKGE CCOc1cc(Br)c([C@H](Br)[C@@H]2C[C@H]2Br)cc1OCC 1887725639 SYSITFXDWXJCER-PJCOJXEDSA-N 457.000 5.466 50 10 JKGE CCCC[C@@H](Br)CCc1ccc(I)c(Br)c1 1904326054 DRFWRAPXNJMLJQ-LLVKDONJSA-N 459.991 5.940 50 10 JKGE Cc1sc(C)c(S(=O)(=O)N(Cc2ccccc2)[C@@H](CCl)C2CC2)c1Br 1915153001 SHNDFDJLUSHWHP-INIZCTEOSA-N 462.862 5.336 50 10 JKGE Brc1cc(Br)c([C@@H](Br)c2nscc2Br)s1 1922897073 KUSCBDDBFZNGFP-LURJTMIESA-N 496.869 5.976 50 10 JKGE CCc1ccsc1[C@@H](Br)c1sc(Br)c(C)c1Br 1922943651 WCZRRVRFCYTKLO-SECBINFHSA-N 459.066 6.690 50 10 JKGE Cc1cc(Br)ccc1[C@H](Cl)c1c(Br)sc(Br)c1Cl 1923039228 NBSIOIOBCZBPEH-VIFPVBQESA-N 493.873 7.326 50 10 JKGE CC1(C)[C@H]2CC[C@@H](C2)[C@H]1[C@@H](Br)c1c(Br)sc(Br)c1Cl 1923068791 WLMRHZFGOQJQLH-YIKMNZTOSA-N 491.514 7.435 50 10 JKGE Clc1c(Br)sc(Br)c1[C@@H](Br)[C@H]1CCCOCC1 1923068896 YFXAAKKCSQSXSS-XPUUQOCRSA-N 467.448 6.179 50 10 JKGE F[C@@H]1CC[C@@H]([C@@H](Br)c2c(Br)sc(Br)c2Br)C1 1924570475 KBXNZVSHFFUZSS-WYDQCIBASA-N 499.863 6.610 50 10 JKGE Cc1cc(Br)sc1[C@H](Br)c1ccc(I)cc1 1939445602 BXATZQQKOLPHRB-LLVKDONJSA-N 471.983 5.908 50 10 JKGE C[C@@](CCCC[C@H]1CCSS1)(CC(=O)O)NC(=O)OCC1c2ccccc2-c2ccccc21 1951854678 KESJILGVBRRZKV-HFJWLAOPSA-N 485.671 6.473 50 10 JKGE CC1(C)CN(Cc2ccccc2)CCN1c1ccc(CBr)cc1Br 1997373870 MLKIMVKUTDUABA-UHFFFAOYSA-N 452.234 5.445 50 10 JKGE Cl[C@H](c1c(Br)sc(Br)c1Br)[C@H]1C[C@@H]1C1CCC1 2022288926 FPHPPFGFPWWQLU-FWWHASMVSA-N 463.460 6.752 50 10 JKGE CCc1sc(Br)cc1[C@H](Br)Cc1cccc(Br)c1 2030223343 TWWJVTUCRSTAJL-GFCCVEGCSA-N 453.037 6.514 50 10 JKGE CC1(C)OCCC[C@@H]1[C@H](Br)c1c(Br)sc(Br)c1Cl 2066883586 LQOYMQZKOVWHNH-SVRRBLITSA-N 481.475 6.568 50 10 JKGE FC1(F)CC2(C[C@@H]2[C@H](Cl)c2c(Br)sc(Br)c2Br)C1 2069069861 VZGRXTKONQFVCD-FBCQKBJTSA-N 485.413 6.751 50 10 JKGE Cc1cc(Br)c(C)c([C@H](Br)C(F)(F)C(F)F)c1Br 2081071512 OJMSLSGMWOZRHF-VIFPVBQESA-N 456.897 6.165 50 10 JKGE Cc1cc([C@@H](Br)c2ccc(Br)cc2Br)ccc1Br 2083335029 QHOUZXUVPDBYCE-CQSZACIVSA-N 497.850 6.767 50 10 JKGE Clc1cc(Cl)cc([C@H](Br)c2ccc(Br)cc2Br)c1 2083336486 APPAEKGVJYVCBJ-ZDUSSCGKSA-N 473.817 7.003 50 10 JKGE COc1c(Br)cc(C)cc1[C@@H](Br)c1cc(Br)cs1 2083448834 YPPVDBJMYBRMQE-GFCCVEGCSA-N 455.009 6.074 50 10 JKGE O=C(c1csc(Br)c1Br)N1CC[C@H]2CC[C@H](Br)[C@H]1C2 2093944407 JWAOHPQTQVWFTL-FKTZTGRPSA-N 472.040 5.051 50 10 JKGE Brc1cc2c(cc1[C@H](Br)C1(Br)CCC1)OCCCO2 2111900674 OHKCRADASLVAHZ-ZDUSSCGKSA-N 454.984 5.364 50 10 JKGE Fc1cccc([C@H](CBr)Cc2cc(Br)ccc2Br)c1 2118525266 RQVRDWJCOPVJNT-LBPRGKRZSA-N 450.971 6.072 50 10 JKGE Clc1cc(Br)cc(Cl)c1Oc1cc(Br)ccc1CBr 2138252040 OIHRPHGJLVNPBK-UHFFFAOYSA-N 489.816 7.206 50 10 JKGE Clc1ccc(I)c(CN2[C@H](CBr)CCC23CCC3)c1 2140863846 HACWLOFYWBQVLM-ZDUSSCGKSA-N 454.577 5.227 50 10 JKGE Fc1cc2c(cc1Br)nc(CCl)n2[C@@H]1CCOC[C@@H]1OCc1ccccc1 2146525432 VDDKGNNZHAGCTF-MJGOQNOKSA-N 453.739 5.224 50 10 JKGE BrCC(CBr)(CCS[C@H]1CCOC1)c1ccc(Br)cc1 2149122578 KGEMCGKQIIAUHU-AWEZNQCLSA-N 487.095 5.389 50 10 JKGE C[C@H](Br)C[C@@H]1CCCCCN1Cc1c(Br)cccc1Br 2150495593 NJEAFJHANRLUPJ-STQMWFEESA-N 468.071 6.130 50 10 JKGE Cc1sc(Br)cc1[C@@H](Br)c1ccc(Br)c2ccccc12 2152047192 DYHAOSFXZCXRAH-INIZCTEOSA-N 475.043 7.219 50 10 JKGE Cc1cc(Br)c(CBr)c(N(C)[C@@H](C)c2cscc2Br)c1 2186582800 XUXAAEKZUYRIHI-JTQLQIEISA-N 482.079 6.674 50 10 JKGE CC[C@H](N)Cc1cc(Br)cc(Br)c1OC[C@H]1C[C@H](Br)C1 2196936261 BZRLCABZLYQYPX-GAFUQQFSSA-N 470.043 5.044 50 10 JKGE CCn1ncc(Br)c1[C@H](Br)c1cc(Br)c(OC)cc1C 2198726953 PGENOVYGVXAKSK-CYBMUJFWSA-N 466.999 5.229 50 10 JKGE Cc1c(Br)ccc([C@@H](Br)[C@@H]2CCn3nccc3C2)c1Br 2203701321 ADKDYRUDMPRFEO-BMIGLBTASA-N 463.011 5.415 50 10 JKGE C[C@H](Br)C[C@@H](C)c1sc(Br)c(Br)c1Br 2209974080 VSNNKHJZNPDPHZ-UHNVWZDZSA-N 469.862 6.313 50 10 JKGE O=S(=O)(Cc1ccsc1Br)N(Cc1ccccc1)[C@H](CBr)C1CC1 2213760307 DEOXRHMDEFKQFI-MRXNPFEDSA-N 493.286 5.016 50 10 JKGE COc1cc(Cl)cc(CBr)c1OC[C@H]1CC1(Br)Br 2218002090 YPPBJOPPEZHYPO-MRVPVSSYSA-N 463.391 5.128 50 10 JKGE C[C@H](Cl)c1nc2cc(Br)c(Br)cc2n1CCCOCc1ccccc1 2218654582 HARLZURNKDZCFZ-ZDUSSCGKSA-N 486.635 6.468 50 10 JKGE COc1cc(Br)c([C@H](Br)c2sncc2Br)cc1C 2220441769 INXQTBJEZYYTQB-NSHDSACASA-N 455.997 5.469 50 10 JKGE Clc1cc(Br)c([C@@H](Br)CC[C@H]2CCOC2)c(Cl)c1Cl 2224310299 GRNSFHOQTUZCPR-YUMQZZPRSA-N 451.413 6.662 50 10 JKGE BrCC(CBr)(Cc1ccccc1)Cc1nscc1Br 2227092246 NSEOTTWXSQEAGY-UHFFFAOYSA-N 468.052 5.467 50 10 JKGE Cc1cc(Br)c([C@@H](Br)C2(CC3CC3)CC2)c(C)c1Br 2227358024 YLZKEKPQSIOWHG-OAHLLOKOSA-N 451.040 6.845 50 10 JKGE CC(C)(C)OC(=O)N1CCC[C@](CI)(O[C@H]2CCCC[C@H]2C(F)(F)F)C1 2231401780 YVRWZZVURUNSSU-JKIFEVAISA-N 491.332 5.329 50 10 JKGE FC(F)(C1CCCC1)[C@H](Br)c1c(Br)cc(Cl)c(Cl)c1Cl 2232510601 MWLZSUZALAVHKC-GFCCVEGCSA-N 471.394 7.671 50 10 JKGE Cc1cc(Cl)c(Br)cc1[C@@H](Br)Cc1cc(Cl)cc(Cl)c1 2240911780 WLKQGMNMHOOZPL-ZDUSSCGKSA-N 457.420 7.396 50 10 JKGE Cc1ccc(I)c([C@@H](Br)c2cc(Cl)cc3c2OCC3)c1 2241000487 IJRUXRLNMZRYGY-OAHLLOKOSA-N 463.540 5.672 50 10 JKGE Cc1nscc1C[C@H](Br)c1ccc(I)c(Br)c1 2246952475 RMVSHDLKURJPSA-JTQLQIEISA-N 486.998 5.497 50 10 JKGE CC(C)(C)OC(=O)N1CCC(CI)(OC[C@H]2CC[C@H](C)CC2)CC1 2250265738 KPBVDSUFLGGQFZ-WKILWMFISA-N 451.389 5.034 50 10 JKGE C[C@@H]1C[C@@H](C[C@H](Br)c2c(F)cc(Br)c(F)c2Br)CO1 2272723318 FHZWPGMAUBSRMF-CSMHCCOUSA-N 462.954 5.741 50 10 JKGE Cc1ccc([C@@H](Br)Cc2cc(Br)cc(Br)c2)c(Cl)c1 2277964811 HOQPVZCQUOFMIM-AWEZNQCLSA-N 467.426 6.852 50 10 JKGE COc1ccc([C@H](Cl)c2ccc(Br)cc2I)c(C)c1C 2284606993 NELKYFVZLSBZTR-INIZCTEOSA-N 465.556 6.007 50 10 JKGE N#CC(C(=O)Nc1ccccc1)=C1S[C@@H](Cc2ccc(F)cc2)C(=O)N1c1ccc(F)cc1 2293038894 FUCUVRXJXRHOPJ-QFIPXVFZSA-N 461.493 5.030 50 10 JKGE C[C@@H]1CCCC[C@@H]1NC(=O)C(C#N)=Cc1ccc(OCc2ccccc2)c(Br)c1 2295196114 VQPNGUTWDSRJRT-VGSWGCGISA-N 453.380 5.630 50 10 JKGE Cc1ccc(NC(=O)C(C#N)=C2S[C@@H](Cc3ccccc3Cl)C(=O)N2c2ccccc2C)cc1 2296055617 ICNRSZRZGCHKME-DEOSSOPVSA-N 488.012 6.022 50 10 JKGE CC1(C)CC(C[C@@H](Br)c2ccc(OCc3ccccc3)cc2Br)C1 2299530192 JWTAAZWVJPNFKK-LJQANCHMSA-N 452.230 7.290 50 10 JKGE CCOc1cc(C=C(C#N)C(=O)Nc2cccc(Cl)c2Cl)c(Br)c(Cl)c1O 2313570610 BCKKOBGQOKVXIC-UHFFFAOYSA-N 490.568 6.059 50 10 JKGE N#CC(=Cc1ccccc1OCc1ccc(Br)cc1)C(=O)Nc1ccc(F)cc1 2313630353 HDABDGPFOLVFON-UHFFFAOYSA-N 451.295 5.713 50 10 JKGE Brc1ccc(OCc2ccccc2)c([C@H](Br)CC23CCC(CC2)C3)c1 2314454359 FYHBHHYSAAFLSA-PWOUQQLPSA-N 464.241 7.435 50 10 JKGE CCOc1ccc(-c2nn(-c3ccccc3)cc2C=C(C#N)S(=O)(=O)c2ccccc2)cc1Cl 2314476567 QURXIBMXQIQNSK-UHFFFAOYSA-N 489.984 5.930 50 10 JKGE CCc1ccc(C[C@@H]2SC(=C(C#N)C(=O)NCc3ccco3)N(c3ccc(C)c(C)c3)C2=O)cc1 2314593618 PYXBIFMICWVPJZ-VWLOTQADSA-N 485.609 5.202 50 10 JKGE Cc1ccc(N2C(=O)[C@@H](Cc3ccccc3)SC2=C(C#N)C(=O)N[C@@H](C)c2ccccc2)cc1C 2314593720 RZFUGSDTMPLLSM-HFZDXXHNSA-N 481.621 5.607 50 10 JKGE COc1ccc(C=CC(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@@H]3c2cccc3ccccc23)cc1 2314634561 INBNGKMOPIJXSG-GDLZYMKVSA-N 474.516 5.685 50 10 JKGE Cc1csc([C@@H](Br)c2c(Cl)cc(Br)c(F)c2Br)c1 2315451927 VUUJNXPZNJLRGC-SNVBAGLBSA-N 477.418 6.858 50 10 JKGE N#CC(=CNc1ccc(F)c(Cl)c1)C(=O)N1CCN(C(c2ccccc2)c2ccccc2)CC1 2318455233 PDWKWDKWQFWYMO-UHFFFAOYSA-N 474.967 5.232 50 10 JKGE COc1cc(C=C(C#N)c2cccc(Cl)c2)ccc1OC(=O)C=Cc1ccc(Cl)cc1 2320506835 SMWQVNZWHVSNHE-UHFFFAOYSA-N 450.321 6.685 50 10 JKGE N#CC(=Cc1ccc(OC(=O)C=Cc2ccc(OCc3ccccc3)cc2)cc1)c1ccccc1 2320507398 XLEPGNDMNPDFEA-UHFFFAOYSA-N 457.529 6.949 50 10 JKGE CC(C)(C)OC(=O)N1CCC[C@@](CI)(O[C@@H]2CCC3(CCCC3)C2)C1 2320509390 YEJUJJAANOSIFH-UZLBHIALSA-N 463.400 5.321 50 10 JKGE N#CC(=CNc1cc(C(F)(F)F)cc(C(F)(F)F)c1)C(=O)Nc1cccc(Cl)c1Cl 2324380781 QFBGXIAAINLFJJ-UHFFFAOYSA-N 468.184 6.489 50 10 JKGE N#CC(=Cc1ccc(Br)cc1)C(=O)N1CCN(C(c2ccccc2)c2ccccc2)CC1 2324498998 NKDANILZRYPHMD-UHFFFAOYSA-N 486.413 5.290 50 10 JKGE CC[C@@H]1CC[C@@H](Br)[C@H](Cc2ccc(I)c(Br)c2)C1 2325174131 CTTPEYCBEKEEQO-KGYLQXTDSA-N 486.029 6.186 50 10 JKGE COc1cccc(C=C(C#N)c2nc(O)c3ccccc3n2)c1OCc1ccc(Cl)c(Cl)c1 2331029977 LEBCNJDWLQFUJI-UHFFFAOYSA-N 478.335 6.294 50 10 JKGE COc1c(Br)cc(Br)cc1C=C(C#N)c1ccc(C(=O)OC(C)C)o1 2331049735 NRMRBKJTBKFHDQ-UHFFFAOYSA-N 469.129 5.443 50 10 JKGE CCc1ccc(-c2csc(C(C#N)=C(O)C(=Cc3ccc(OC(C)C)cc3)c3ccccc3)n2)cc1 2331245751 PZFVFHLULMQJHC-UHFFFAOYSA-N 492.644 8.193 50 10 JKGE CCOc1cc(C(O)=C(C#N)c2nc(-c3ccc(C)cc3)cs2)cc(OCC)c1OCC 2331312219 VSIWIZYQGYHZCJ-UHFFFAOYSA-N 450.560 6.265 50 10 JKGE CCCCc1ccc(N2C[C@H](C(O)=C(C#N)c3nc(-c4ccc(C)cc4)cs3)CC2=O)cc1 2331312356 LEQIGKCOKQICRO-OAQYLSRUSA-N 457.599 6.307 50 10 JKGE CCCCOc1ccc(C(O)=C(C#N)c2nc(-c3cc(OC)ccc3OC)cs2)cc1OCC 2331326073 XPTUZJHTJJGIMO-UHFFFAOYSA-N 480.586 6.355 50 10 JKGE COc1ccc(C(C)(C)C)cc1-c1csc(C(C#N)=C(O)C=Cc2ccc3c(c2)OCCO3)n1 2331350870 ZSOMNQCVKUWLGB-UHFFFAOYSA-N 474.582 6.393 50 10 JKGE CC(C)c1ccccc1O[C@@H](C)C(O)=C(C#N)c1nc(-c2ccc(Oc3ccccc3)cc2)cs1 2331358913 DCUBNZSQYYCJQF-FQEVSTJZSA-N 482.605 7.986 50 10 JKGE COc1c(Cl)cc(Cl)cc1-c1csc(C(C#N)=C(O)c2ccc(-c3ccccc3)cc2)n1 2331362397 FUEYLOSPYCLUDA-UHFFFAOYSA-N 479.388 7.742 50 10 JKGE COc1cc(-c2csc(C(C#N)=C(O)c3cccc(OCC(C)C)c3)n2)c(OC)cc1Cl 2331377396 SWHRQRMFZSCQIP-UHFFFAOYSA-N 470.978 6.465 50 10 JKGE COc1cc(Cl)c(C)cc1-c1csc(C(C#N)=C(O)c2cccc(Oc3ccccc3)c2)n1 2331390221 RCUIHAHLSNMBJH-UHFFFAOYSA-N 474.969 7.523 50 10 JKGE CCCCCCOc1ccc(C(O)=C(C#N)c2nc(-c3cc(C)c(OC)cc3C)cs2)cc1 2331402709 IGLXVAVWBINXTO-UHFFFAOYSA-N 462.615 7.345 50 10 JKGE COc1cc(C=C(C#N)c2nc(-c3ccc4c(c3)OCO4)cs2)ccc1OC(=O)c1ccccc1 2331454021 MVEYLWWRIBFUKL-UHFFFAOYSA-N 482.517 5.831 50 10 JKGE Cl[C@@H](c1c(Br)sc(Br)c1Br)[C@@H]1C[C@H]1C1CCOCC1 2332687055 HEDPMKYLXUVIQZ-VAOFZXAKSA-N 493.486 6.378 50 10 JKGE Fc1cc(F)c([C@@H](Br)c2ccc(OCc3ccccc3)cc2Br)c(F)c1 2336038092 KBXSLYNYQNBHTB-FQEVSTJZSA-N 486.125 6.930 50 10 JKGE Clc1cc(I)c([C@H](Br)Cc2ccc3c(c2)CCO3)s1 2338777490 CHZOLVVJARQDRC-SNVBAGLBSA-N 469.569 5.620 50 10 JKGE CN(c1cc(Cl)c(F)cc1CBr)[C@@H]1C[C@@H]2CC[C@H](C1)N2Cc1ccccc1 2362397100 IAUMCRIXNWMTGF-BWTSREIZSA-N 451.811 6.006 50 10 JKGE COc1c(Br)cc(C)c([C@H](Br)CC[C@H]2CC2(C)C)c1Br 2365232642 CSNVBOLOJFYKJG-WDEREUQCSA-N 469.055 6.791 50 10 JKGE O=C(N[C@@H]1CCCC[C@@H]1CCBr)c1ccc(Cl)cc1I 2365593537 UUISADGPYZSVJZ-QMTHXVAHSA-N 470.576 5.018 50 10 JKGE Cc1c(CBr)ccc(NC(=O)c2csc(Br)c2Br)c1C 2368000545 WOENURCBARYFPV-UHFFFAOYSA-N 482.035 6.037 50 10 JKGE N#C/C(=C/c1ccc(-c2ccc(Cl)c(Cl)c2)o1)c1nc2ncc(Br)cc2[nH]1 33247073 WAQKFVIQEJVSIF-WZUFQYTHSA-N 460.118 6.351 50 10 JKGE COc1ccc(/C=N/NC(=O)c2ccc(OCc3ccc(Cl)c(Cl)c3)cc2)cc1OC 33372298 AYYQENDFAGVTFN-LGJNPRDNSA-N 459.329 5.354 50 10 JKGE CCCCc1nc(N2CCN(C(=O)[C@H](Cl)c3ccccc3)CC2)c2c3c(sc2n1)CCCC3 35865020 MTJORWAXXAJVCM-HSZRJFAPSA-N 483.081 5.541 50 10 JKGE CC(C)(C)c1ccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4ccc([N+](=O)[O-])cc4)ccc32)cc1 38649738 CFRIWQVGXJEYPV-DEOSSOPVSA-N 469.497 5.330 50 10 JKGE CCCCCOc1ccc(C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@@H]3c2ccc(C)o2)cc1 38659241 CCQSDJWPEVGXHC-RUZDIDTESA-N 458.514 5.594 50 10 JKGE N#CC1=C(N)Oc2cc(OC(=O)Cc3ccccc3)ccc2[C@@H]1c1cccc(OCc2ccccc2)c1 38686591 UNOMXJNXGKUQOJ-PMERELPUSA-N 488.543 5.632 50 10 JKGE COc1ccc(C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@H]3c2ccccc2Cl)cc1Cl 38687663 LVLFVRWTMNAHRZ-QFIPXVFZSA-N 467.308 5.439 50 10 JKGE Cc1c(C(=O)Nc2ccccc2Br)oc2c1/C(=N/NC(=O)c1ccccc1F)CCC2 40812449 NYOKNTDZFPWSMX-OVVQPSECSA-N 484.325 5.212 50 10 JKGE N#C/C(=C\c1cccc(OCc2ccc(Cl)cc2Cl)c1)C(=O)Nc1ccccc1Cl 59117301 WKNOPHUTDYPCNX-LICLKQGHSA-N 457.744 6.771 50 10 JKGE CCc1ccccc1NC(=O)/C(C#N)=C/c1cc(Br)c(Sc2ccc(Cl)cc2)o1 59303146 OOFOHRUIQPFATJ-RVDMUPIBSA-N 487.806 6.955 50 10 JKGE COc1cc(/C=N/NC(=O)c2cc3ccccc3o2)ccc1OCc1ccc(Br)cc1 59445115 ZNZWSGHXXWFGFY-VULFUBBASA-N 479.330 5.547 50 10 JKGE N#C/C(=C/c1cn(Cc2ccc(Br)cc2)c2ccccc12)S(=O)(=O)c1ccccc1 96504290 XAACHIMHGMGVQS-HMAPJEAMSA-N 477.383 5.790 50 10 JKGE CC1(C)[C@H]2CC[C@@]1(C(=O)NNC(=O)c1ccccc1Cl)c1nc3cc(Cl)c(Cl)cc3nc12 101106558 SXCWRRXGBYPVCR-MYODQAERSA-N 489.790 5.206 50 10 JKGE Fc1ccccc1C(CBr)(CBr)Cc1cc(Cl)ccc1Cl 118878325 HUENIPORWHOIDB-UHFFFAOYSA-N 454.992 6.403 50 10 JKGE CCc1cc(CC)c([C@@H](Br)c2ccc(I)cc2)c(CC)c1 148114750 FTISTEYLMALMLB-IBGZPJMESA-N 457.193 6.463 50 10 JKGE Cc1cc([C@@H](Br)c2cc(C(F)(F)F)ccc2Br)sc1Br 159845732 YZXKZPDZUFSBPP-NSHDSACASA-N 492.980 7.085 50 10 JKGE Cc1cc(Br)c([C@H](Br)[C@H]2C[C@@H]2c2ccccc2)cc1Br 164446922 LGOOZKKIIXQIIQ-IIYDPXPESA-N 459.019 6.760 50 10 JKGE C[C@H]1C[C@H]2[C@@H]3CC[C@](O)(C(=O)CO[Si](C)(C)C(C)(C)C)[C@@]3(C)CC(=O)[C@@H]2[C@@]2(C)C=CC(=O)C=C12 204863080 FYVRZHLKXNGJHP-XZTYXFQRSA-N 486.725 5.041 50 10 JKGE in-vitro C[C@H](C[C@H](CCc1ccc(CCl)cc1)c1ccc(CCl)cc1)c1ccc(CCl)cc1 206548468 QBVHDIKGDQTDMC-HRFSGMKKSA-N 459.888 8.813 50 10 JKGE CCCCCCN1C(=O)C(C#N)=C(C)/C(=C/c2cn(-c3ccccc3)nc2-c2ccc(F)cc2)C1=O 214239773 SCYUUPAACOBZEB-UQQQWYQISA-N 482.559 5.851 50 10 JKGE N#C/C(=C/Nc1ccccc1Sc1ccccc1)C(=O)Nc1ccc(Cl)c(C(F)(F)F)c1 217249537 NFYDTQRBSMZNJL-PFONDFGASA-N 473.907 6.968 50 10 JKGE N#C/C(=C/N(Cc1ccccc1)c1ccccc1)C(=O)Nc1ccc(Cl)c(C(F)(F)F)c1 217250165 KSJTZGDIMUSRFJ-VLGSPTGOSA-N 455.867 6.412 50 10 JKGE O=[N+]([O-])c1ccccc1S[C@@H]1C[C@@H]2[C@H](c3ccccc3)Nc3c(F)cccc3[C@@H]2[C@@H]1Cl 250812490 LZXBOXFPMAFGKF-YMNDLRCVSA-N 454.954 6.773 50 10 JKGE COc1cccc(N(C(=O)CCl)[C@H](C(=O)N[C@H]2CCCC[C@H]2C)c2ccc(Cl)cc2)c1 252587065 VKXKQEAKWJDNRO-HNKPZJSLSA-N 463.405 5.357 50 10 JKGE COc1ccc(C=NNC(=O)c2cc(-c3ccc(OC(C)C)cc3)nc3ccccc23)cc1OC 252629389 UEWDLJAPUBXLTQ-UHFFFAOYSA-N 469.541 5.470 50 10 JKGE O=C(NN=Cc1ccc(Br)s1)c1ccccc1OCc1cccc(Br)c1 252629669 ULGJYBSTTSNTMZ-UHFFFAOYSA-N 494.208 5.616 50 10 JKGE O=C(CSc1nnc(C23CC4CC(CC(C4)C2)C3)n1-c1ccccc1)NNc1ccc(F)cc1 253562140 CXNBKOYUCSXEJH-UHFFFAOYSA-N 477.609 5.110 50 10 JKGE CC(=NNC(=O)[C@@H]1C[C@H]1c1ccc(C(C)(C)C)cc1)c1cccc(NC(=O)c2cccc(F)c2)c1 254759648 WQTXVJPUASVZAC-IZZNHLLZSA-N 471.576 6.019 50 10 JKGE Cc1cccc(Br)c1[C@H](Br)c1csc2c(Br)cccc12 380775092 RFFBGVGOSQSHBG-OAHLLOKOSA-N 475.043 7.219 50 10 JKGE CCOc1ccc([C@@H](Br)c2cscc2Br)c(Br)c1 404698969 CUTNCGICXFHXJD-CYBMUJFWSA-N 455.009 6.156 50 10 JKGE Cc1cc(CBr)cc(C)c1OCc1cc(Cl)ccc1I 405308314 RONRYVCSPYGBAH-UHFFFAOYSA-N 465.556 6.035 50 10 JKGE CC1=CCCC(C)(C)[C@@H]1/C=C/C(C)=NNC(=O)c1ccc(CSc2nc(C)cc(C)n2)cc1 606347402 BNOCNIRXTZIFLJ-HDOPCYFNSA-N 462.663 6.430 50 10 JKGE CC(C)(C)[Si](C)(C)OCCc1cccc([C@@H]2CCCN2CCO[Si](C)(C)C(C)(C)C)c1 616608235 PUXASJHYFFFLOJ-DEOSSOPVSA-N 463.855 7.410 50 10 JKGE CC(C)(C)OC(=O)N1c2ccccc2NC[C@@H]1c1ccc(CO[Si](C)(C)C(C)(C)C)cc1 616692468 RXKQFXQEDDAZCP-HSZRJFAPSA-N 454.687 7.117 50 10 JKGE CCC(F)(F)C(C)(C)[C@@H](Br)c1cc(Br)c(C)cc1Br 691590313 BIEBRHVADAKWFV-LBPRGKRZSA-N 462.998 7.028 50 10 JKGE CC1(C)C[C@H](NC(=O)c2cc(Br)c(Br)s2)C[C@H](Br)C1 693812458 DXOUQFGMOUJXFP-JGVFFNPUSA-N 474.056 5.345 50 10 JKGE Clc1cc(I)c(OC[C@H](CBr)C2CC2)c2ncccc12 701861663 CZQHICMAWJLRSF-JTQLQIEISA-N 466.544 5.293 50 10 JKGE O=C([C@H](c1cccs1)N(C(=O)CCl)c1cccc(C(F)(F)F)c1)N1CCc2ccccc21 725237659 LHTMVKFLIVBFBT-NRFANRHFSA-N 478.923 5.669 50 10 JKGE CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(C)cc2C)ccc1OCc1ccc(Cl)cc1 1084033649 WXVBGFLALCJLNM-HYARGMPZSA-N 460.961 6.480 50 10 JKGE COc1cc(C=NNC(=O)CSc2nc3ccccc3[nH]2)ccc1OCc1cccc2ccccc12 1084101760 XWCLQPWGNDKMBX-UHFFFAOYSA-N 496.592 5.546 50 10 JKGE CC(C)c1ccc2c(c1)CC[C@@H]1[C@](C)(CNC(=O)CCCC[C@H]3CCSS3)CCC[C@@]21C 1615155720 CKUJQKQSBXESPV-WPLJCJQWSA-N 473.792 7.651 50 10 JKGE Cc1ccc(C(C)C)c(OC(=O)c2oc3c(c2C)C(=NNC(=O)c2ccccc2Cl)CCC3)c1 1772743975 NDHIGTBZFHMASX-UHFFFAOYSA-N 478.976 6.363 50 10 JKGE Cc1c(C(=O)Nc2ccc(Cl)cc2)oc2c1C(=NNC(=O)c1ccc3ccccc3n1)CCC2 1772751344 OWUVYBYOXNLWAL-UHFFFAOYSA-N 472.932 5.512 50 10 JKGE CC(C)CCC[C@H](C)[C@@H]1CC[C@H]2[C@@H]3CC=C4C[C@@H](OC(=O)CCCl)CC[C@]4(C)[C@H]3CC[C@]12C 1848665491 NZCIAHIYIOJGGF-NZKZAVNPSA-N 477.173 8.569 50 10 JKGE CCCCOc1ccc([C@H]2C(C#N)=C(N)Oc3c2c(CCC)nn3-c2cccc(Cl)c2)cc1 1865693607 XFIOKIPUAOSNMJ-QHCPKHFHSA-N 462.981 5.875 50 10 JKGE COc1cc([C@@H]2C(C#N)=C(N)Oc3c2c(-c2ccccc2)nn3C)ccc1OCc1ccc(C)cc1 1865695529 PICOWBMUCGXWQG-RUZDIDTESA-N 478.552 5.201 50 10 JKGE N#CC1=C(N)Oc2c(c(-c3ccccc3)nn2Cc2c(F)cccc2Cl)[C@H]1c1ccncc1 1865700630 ZPWPPANKJCTTJL-NRFANRHFSA-N 457.896 5.004 50 10 JKGE Cc1nc(-c2ccc(Cl)cc2)ccc1C(=O)NNC(=O)[C@@H](C)Oc1ccc(Cl)cc1Cl 1865755981 ZJXYWMUMUPGIAS-CYBMUJFWSA-N 478.763 5.246 50 10 JKGE CC(C)c1nc(Nc2ccc(SC#N)cc2)cc(N2CCC(Oc3cccc(Cl)c3)CC2)n1 1868231463 HTYMIFKOKDHDFX-UHFFFAOYSA-N 480.037 6.618 50 10 JKGE CC(C)(C)c1nc(Nc2ccc(SC#N)cc2)cc(N2CCc3cc4ccccc4nc32)n1 1868342589 XDXOABKGJWITJP-UHFFFAOYSA-N 452.587 6.333 50 10 JKGE CCCc1nc(Nc2ccc(SC#N)cc2)cc(N2CCC(Oc3ccc(Cl)cc3)CC2)n1 1868388887 NUIDINXAMBSPBA-UHFFFAOYSA-N 480.037 6.447 50 10 JKGE CCOc1ccc(/C=C(C(/O)=C(\C#N)c2nc(-c3ccc(Cl)cc3)cs2)\c2ccccc2)cc1 1872747941 AAHUWKGDMFJSGA-GEHATIBWSA-N 485.008 7.896 50 10 JKGE Cc1ccc(-c2csc(/C(C#N)=C(\O)[C@@H](C)Oc3ccc(Cl)cc3Br)n2)c(C)c1 1872749020 XRGRJQJMZIYMFX-GICLCMKGSA-N 489.822 7.103 50 10 JKGE COc1cc(C)c(-c2csc(/C(C#N)=C(\O)CN3C(=O)COc4ccc(Cl)cc43)n2)cc1C 1872757957 DTAIGGGFSLHMOQ-JZJYNLBNSA-N 481.961 5.307 50 10 JKGE COc1ccc(C(C)(C)C)cc1-c1csc(/C(C#N)=C/c2ccc(Br)cc2)n1 1872793029 DRPZWFHPNCZSNZ-LFIBNONCSA-N 453.405 6.943 50 10 JKGE C[C@H](Cl)c1c(Br)c(Br)cc(Br)c1Br 1884226099 CFWHQQDOFFPLIL-VKHMYHEASA-N 456.197 6.036 50 10 JKGE CC[C@@H](Cl)CN(Cc1ccccc1)C(=O)c1ccc(I)c(Cl)c1 1915113007 FYUKLMFBENGRPF-OAHLLOKOSA-N 462.158 5.604 50 10 JKGE Cn1nc([C@H](Br)c2sc(Br)cc2Br)cc1Br 1922894134 JLHSRZRJNHGFGX-QMMMGPOBSA-N 493.844 5.253 50 10 JKGE Fc1ccc([C@H](Cl)c2sc(Br)cc2Br)c(Br)c1 1922943724 WQHZUVABBCDLLT-JTQLQIEISA-N 463.391 6.503 50 10 JKGE Cc1c(Br)sc([C@H](Cl)c2ccc(F)cc2Br)c1Br 1922946821 VVZSABUUYJDCPF-SNVBAGLBSA-N 477.418 6.811 50 10 JKGE Fc1ccc([C@H](Cl)c2csc(Br)c2Br)cc1Br 1945190834 UFOHWUJPCVLARF-JTQLQIEISA-N 463.391 6.503 50 10 JKGE Cc1scnc1COc1c(Br)cc(Br)cc1CBr 2035319493 AVHHCHNCGFKHML-UHFFFAOYSA-N 455.997 5.450 50 10 JKGE Cc1c(Br)sc([C@H](Br)C23CCC(CC2)OC3)c1Br 2072708516 QZWBSNWUOSMXSH-SAVVLTDYSA-N 459.041 5.977 50 10 JKGE FC(F)(F)c1ccc(Cn2nc(CBr)c3c2C[C@@H]2C[C@H]32)cc1Br 2080758476 BRMDKKNGDJSOBQ-UWVGGRQHSA-N 450.096 5.267 50 10 JKGE Cc1cc(Cl)c([C@H](Br)c2cnn(C)c2I)cc1Cl 2081579873 YEGKFHALARFYGL-NSHDSACASA-N 459.940 5.124 50 10 JKGE Cc1cc(Br)c2c(c1Br)[C@@H](Br)C[C@H](C(F)(F)F)CC2 2090245988 ZDQAAIZYAQOWLY-XCBNKYQSSA-N 464.945 6.471 50 10 JKGE C[C@@H]1CC[C@H](CC(CBr)(CBr)c2ccccc2Br)C1 2101724768 OOGMNCSSLOSZKV-OLZOCXBDSA-N 453.056 6.303 50 10 JKGE Cc1sc([C@@H](Br)c2cc(Cl)c(C)c(Br)c2)c(C)c1Br 2111083420 QGKULRLENMVHPX-ZDUSSCGKSA-N 487.482 7.336 50 10 JKGE Clc1ccccc1C(CBr)(CBr)Cc1csc(Br)c1 2139779200 HDPZIJZYPKPLQC-UHFFFAOYSA-N 487.482 6.434 50 10 JKGE COc1cc(Br)c(C)cc1[C@H](Br)c1c(F)cccc1Br 2145964858 UJNDMEZXXGPXFO-HNNXBMFYSA-N 466.970 6.152 50 10 JKGE COc1cc([C@@H](Br)c2cc(Br)sc2C)c(OC)cc1Br 2152046873 ADWXVSJYGUYJNS-AWEZNQCLSA-N 485.035 6.083 50 10 JKGE BrCc1ccc(Br)cc1N1C[C@@]23CCC[C@]2(CN(Cc2ccccc2)C3)C1 2153341390 OZYFUUSYHDMFSD-GOTSBHOMSA-N 490.283 5.837 50 10 JKGE Fc1cc(Cl)c(Br)cc1[C@H](Br)c1cscc1C(F)(F)F 2154109255 QBNHMBUCEOXIRT-NSHDSACASA-N 452.492 6.806 50 10 JKGE CC1(C)[C@H](OCc2ccccc2)C[C@H]1n1c(CCl)nc2cc(Br)c(Cl)cc21 2159863218 HFVRGWCJKJNBGQ-RTBURBONSA-N 468.222 6.747 50 10 JKGE Cc1cc(Br)c(CBr)c(N2CCO[C@H]3CCN(Cc4ccccc4)C[C@@H]32)c1 2173450396 LNIRAOYAJGMFHH-VXKWHMMOSA-N 494.271 5.132 50 10 JKGE BrC[C@@]12CCC[C@@H](CN(Cc3ccc(Br)cc3Br)C1)C2 2199679706 CSQZYDBZLHRLTR-WBMJQRKESA-N 466.055 5.599 50 10 JKGE COc1c(Cl)cc(Br)cc1[C@@H](Br)c1ccc(C)c(Br)c1 2203000615 FWRXFOCXQKBPFK-AWEZNQCLSA-N 483.425 6.666 50 10 JKGE Cc1cc(Br)c([C@@H](Cl)c2sc(Br)c(C)c2Br)s1 2215943896 UMNMJHBNTNPYSS-MRVPVSSYSA-N 479.484 7.042 50 10 JKGE Cc1sc([C@@H](Br)c2ccc(Br)c(C)c2Br)c(C)c1C 2228579270 IYOOTRQYOCBABH-AWEZNQCLSA-N 467.064 6.991 50 10 JKGE CCC1CCC([C@@H](Br)c2c(Br)cc(Cl)c(Cl)c2Cl)CC1 2232510575 HVKNOQOYKQUBAA-KJHLLKJSSA-N 463.468 8.062 50 10 JKGE Cc1ccc(C[C@H](Br)c2c(Br)cc(Cl)c(Cl)c2Cl)cc1 2232514446 USDJXTKIOGGOAQ-JTQLQIEISA-N 457.420 7.396 50 10 JKGE Fc1cc(F)c([C@@H](Br)c2cc(Br)c(Br)cc2F)cc1Cl 2233982020 QDUNFALXIGHZTE-ZDUSSCGKSA-N 493.342 6.767 50 10 JKGE Cc1cc(Br)c([C@H](Br)[C@@H]2[C@H]3CCCCC[C@H]32)c(C)c1Br 2235603962 LQLJACCKERSENE-NENTXLIVSA-N 465.067 7.091 50 10 JKGE Cc1cc(Br)c([C@H](Br)[C@@H]2CC23CCOCC3)c(C)c1Br 2235610452 FTTUIWBZKVIWRE-XHDPSFHLSA-N 467.039 6.081 50 10 JKGE Fc1cc(Br)ccc1[C@H](Br)c1ccc2c(c1Br)CCO2 2238082018 KMGHLDRABVXNCR-AWEZNQCLSA-N 464.954 5.770 50 10 JKGE Cc1nsc(Br)c1[C@H](Br)c1sc(C)c(C)c1Br 2246390781 MDOKQTRPJADWQH-VIFPVBQESA-N 460.054 6.139 50 10 JKGE COCc1cc(Br)c([C@H](Cl)c2scc(Br)c2Cl)s1 2253601112 UPCHYRSWHVKRQN-VIFPVBQESA-N 451.032 6.463 50 10 JKGE Cc1sc(Br)cc1[C@@H](Br)c1cc2sc(Br)cc2s1 2263632001 JOFFQZPBKNTJRV-GFCCVEGCSA-N 487.101 7.342 50 10 JKGE COC[C@]1(C)C[C@@H]1[C@@H](Br)c1c(Br)cc(C)c(Br)c1C 2269279983 LZDHXGVJXBDJEX-KMUNFCNLSA-N 455.028 5.937 50 10 JKGE C=CCC1(CBr)CCN(c2ncc(Br)cc2Br)CC1 2272085779 NKZVCGCBPJUOJA-UHFFFAOYSA-N 453.016 5.164 50 10 JKGE Cc1cc(C(F)(F)F)sc1[C@@H](Cl)c1cc(Br)sc1Br 2277879906 VDNMXSIWULXRSX-QMMMGPOBSA-N 454.558 6.990 50 10 JKGE COc1cc(OC)c([C@@H](Br)c2csnc2Br)cc1Br 2278021581 WMAFHYYXMKAAEV-LLVKDONJSA-N 471.996 5.170 50 10 JKGE Fc1cc(Br)ccc1CO[C@H](CBr)c1ccccc1Br 2281415459 YXBQMQZNZUBFPN-OAHLLOKOSA-N 466.970 6.004 50 10 JKGE Fc1cccc(I)c1[C@@H](Br)c1ccc([C@@H]2CCOC2)s1 2282888796 QASPIGRMLQTJHL-PSLIRLAXSA-N 467.141 5.480 50 10 JKGE COc1ccc([C@H](Br)c2cc3ncccc3s2)cc1I 2285009357 OYUWFNMHQOJVGH-HNNXBMFYSA-N 460.134 5.394 50 10 JKGE COc1cc(C)c(Br)c(C)c1[C@@H](Br)c1cc(Br)oc1C 2285074357 IHTULWRBGADSLI-HNNXBMFYSA-N 466.995 6.223 50 10 JKGE CC(C)(C)C1([C@@H](Br)c2c(F)cc(Br)c(F)c2Br)CCC1 2288373865 NGWPMGVDUZYKQZ-ZDUSSCGKSA-N 475.009 7.142 50 10 JKGE CC(C)OC(=O)c1ccsc1NC(=O)C(C#N)=Cc1cn(-c2ccccc2)nc1-c1ccccc1 2295672226 CSYDGEAIFIAOSA-UHFFFAOYSA-N 482.565 5.712 50 10 JKGE CCCOC(=O)c1ccc(NC=C(C#N)c2nc(-c3ccc(Cl)cc3Cl)cs2)cc1 2296798323 BGEUKUZRKWNSMR-UHFFFAOYSA-N 458.370 6.660 50 10 JKGE Cc1ccc(C[C@H]2SC(=C(C#N)C(=O)c3c[nH]c4ccccc34)N(c3ccccc3)C2=O)cc1 2296837801 NBUYLIWBAPSQTH-RUZDIDTESA-N 463.562 5.786 50 10 JKGE COc1ccc(C=C(C#N)C(=O)Nc2cccc(C(=O)O)c2)cc1OCc1ccc(Cl)cc1 2297491156 IATJFBFRRRCGDE-UHFFFAOYSA-N 462.889 5.171 50 10 JKGE Cc1cc(C(=O)O)ccc1-n1c(C)cc(C=C(C#N)C(=O)Nc2cccc(Cl)c2Cl)c1C 2313570882 ILKYICZBNZDWQC-UHFFFAOYSA-N 468.340 5.953 50 10 JKGE Cc1cccc(NC(=O)C(C#N)=Cc2ccccc2OCc2ccc(Br)cc2)c1C 2313667688 RBTCNINMQCBHRO-UHFFFAOYSA-N 461.359 6.191 50 10 JKGE Cc1ccc(COc2ccc(Br)cc2C=C(C#N)C(=O)N[C@@H](C)c2ccccc2)cc1 2313670632 MAOVTPRZZQBXHQ-IBGZPJMESA-N 475.386 6.121 50 10 JKGE Fc1cccc([C@H](Br)c2ccc(OCc3ccccc3)cc2Br)c1F 2314500336 MMYYJHQXLAFXCP-LJQANCHMSA-N 468.135 6.791 50 10 JKGE CCCOc1cccc(-c2nn(-c3ccccc3)cc2C=C2C(=O)N(CC(C)C)C(=O)C(C#N)=C2C)c1 2314611580 XPIMPUCLMQRXKM-UHFFFAOYSA-N 494.595 5.576 50 10 JKGE C=CCOc1ccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)C=Cc4ccccc4Cl)ccc32)cc1 2314634557 IBQXXEPUGXKSHB-HHHXNRCGSA-N 484.939 5.742 50 10 JKGE CC(C)(C)OC(=O)N1CCC[C@](CBr)(OCc2cccc(Cl)c2Cl)C1 2317189817 LMQCDYOYWZKHPA-GOSISDBHSA-N 453.204 5.675 50 10 JKGE COc1cc(C=C(C#N)c2cccc(Cl)c2)ccc1OC(=O)c1cc(OC)c(OC)c(OC)c1 2320507030 XDRMVWQPAICHRL-UHFFFAOYSA-N 479.916 5.658 50 10 JKGE COc1ccccc1C(C#N)=Cc1ccc(OC(=O)COc2ccc(Cl)cc2Cl)cc1 2320507325 PFQLMAJQOFHFFN-UHFFFAOYSA-N 454.309 6.051 50 10 JKGE COC(=O)c1c(NC(=O)C(C#N)=Cc2ccc(Br)cc2)sc(C)c1-c1ccccc1 2329663740 HKBVVITWJODLKJ-UHFFFAOYSA-N 481.371 5.818 50 10 JKGE CCOc1ccc(C=C(C(O)=C(C#N)c2nc(-c3cccs3)cs2)c2ccccc2)cc1 2331326798 QYFOUYMGXVORHL-UHFFFAOYSA-N 456.592 7.304 50 10 JKGE CC(C)(C)c1ccc(-c2csc(C(C#N)=C(O)[C@H]3CC(=O)N(Cc4ccccc4)C3)n2)cc1 2331332033 XOZOWINWOTVVBP-FQEVSTJZSA-N 457.599 5.949 50 10 JKGE CCCCOc1ccc(C(O)=C(C#N)c2nc(-c3ccc(OC)c(C)c3C)cs2)cc1OCC 2331362749 KOSQORFQIMMBGZ-UHFFFAOYSA-N 478.614 6.963 50 10 JKGE CCOc1ccc(-c2csc(C(C#N)=C(O)c3ccc(OCC(C)C)cc3)n2)c(OCC)c1 2331389019 HMFJMLDDCWXETN-UHFFFAOYSA-N 464.587 6.592 50 10 JKGE Cc1ccc(C(C)(C)C)cc1-c1csc(C(C#N)=C(O)COc2ccc(Cl)cc2Cl)n1 2331397039 BQFDZCRMCDYHBH-UHFFFAOYSA-N 473.425 7.595 50 10 JKGE COc1ccc(-c2csc(C(C#N)=C(O)Cc3ccc(Cl)c(Cl)c3)n2)c(OC)c1OC 2331411961 WLJPTCUOAKBJLD-UHFFFAOYSA-N 477.369 6.178 50 10 JKGE CCOc1ccc(C=C(C#N)c2nc(-c3cc(Cl)c(OC)cc3OC)cs2)cc1OC 2331472326 JZSVMNYRANSBLY-UHFFFAOYSA-N 456.951 5.952 50 10 JKGE Cc1ccc(COc2ccc(C=C(C#N)c3nc(-c4cc(C(C)(C)C)ccc4C)cs3)cc2)cc1 2331478335 JXEDNDAXWYWHPE-UHFFFAOYSA-N 478.661 8.368 50 10 JKGE Cc1c(Br)ccc([C@@H](Br)[C@@H]2CCC[C@H]2C(C)C)c1Br 2333146364 JVDIUFCNCCYTOL-OZVIIMIRSA-N 453.056 7.028 50 10 JKGE Fc1ccc(C[C@H](Br)c2ccc(OCc3ccccc3)cc2Br)cc1F 2336049999 HOTHFDVEEFHRQL-SFHVURJKSA-N 482.162 6.985 50 10 JKGE FC(F)(C1CCCCC1)[C@H](Br)c1ccc(OCc2ccccc2)cc1Br 2336077308 GYVTZFKYNDSXHO-HXUWFJFHSA-N 488.210 7.680 50 10 JKGE CCCc1sc(Br)cc1[C@@H](Br)c1ccc(F)cc1Br 2338019978 HNNAMIZJDACOQZ-AWEZNQCLSA-N 471.027 6.849 50 10 JKGE COc1ccc(C[C@@H](Br)c2cc(Br)c(Cl)s2)c(Br)c1 2338832163 XHWOMLWIKDGRLP-SNVBAGLBSA-N 489.454 6.614 50 10 JKGE Cc1cc(Br)c(F)c(Br)c1[C@H](Br)[C@H]1C[C@@H]1CC(C)C 2339650837 JRQBLWOJGDGTKN-OUJBWJOFSA-N 457.019 6.777 50 10 JKGE COc1c(Br)cc(C)c([C@@H](Br)C2(C3CC3)CC2)c1Br 2339656342 MZBDDAMJUGIQGX-CQSZACIVSA-N 453.012 6.155 50 10 JKGE FC(F)COCCC(CBr)(CBr)c1ccc(Br)cc1 2353461100 BKNAJLWJPNNOGI-UHFFFAOYSA-N 464.970 5.149 50 10 JKGE Fc1cc(Cl)c(Br)c(Cl)c1[C@@H](Br)c1cscc1C(F)F 2360399717 FWDFXYWFWHDJEB-VIFPVBQESA-N 468.947 7.378 50 10 JKGE CCCc1sc(Br)cc1[C@H](Br)c1ccsc1S(C)(=O)=O 2363269678 XYPWIYGKQMJRIP-GFCCVEGCSA-N 458.262 5.412 50 10 JKGE COc1c(Br)cc(C)c([C@H](Br)C23COCC(C2)C3)c1Br 2365196383 LPKOWHJCZVGFIB-WOFGGDGOSA-N 469.011 5.391 50 10 JKGE Cc1cc(Br)c(F)c(Br)c1[C@H](Br)C1CC(CC2CC2)C1 2365222434 CYZDGSYBOBIZBM-QIMFLAQGSA-N 469.030 6.921 50 10 JKGE O=C(NC1(CBr)CCCCCC1)c1ccc(Cl)cc1I 2365592986 QSMADVDUOVNWBQ-UHFFFAOYSA-N 470.576 5.162 50 10 JKGE C[C@@H](Br)CN(C(=O)c1ccc(I)c(Cl)c1)C1CCCC1 2368846488 ILXZIUXMODXHRV-SNVBAGLBSA-N 470.576 5.113 50 10 JKGE C=CC[C@]1(CBr)CCCCN1Cc1cc(I)ccc1Cl 2380514508 CWAFCTXXIHHLEA-MRXNPFEDSA-N 468.604 5.640 50 10 JKGE Cc1cc(Br)c([C@@H](Br)c2cc(C(C)C)c(Br)cc2C)s1 2380928322 YFWTXVWXGPSQQB-HNNXBMFYSA-N 481.091 7.498 50 10 JKGE COc1ccc2nc(N(/N=C/c3cccs3)C(=O)c3ccc(Br)s3)sc2c1 9629214 YVLSYQMXRKNTGY-KEBDBYFISA-N 478.418 5.871 50 10 JKGE CC[C@H](C)c1ccc(OCC(=O)NNC(=O)COc2ccc([C@@H](C)CC)cc2Br)cc1 14832323 FFAJWDXMBHDOND-IRXDYDNUSA-N 491.426 5.081 50 10 JKGE CCOc1cc(C=NNC(=O)c2cc3c(ccc4ccccc43)o2)ccc1OCc1ccccc1 16689212 GQVXRYKUCCPXBW-UHFFFAOYSA-N 464.521 6.328 50 10 JKGE Cc1csc(SCc2c(C(=O)NNC(=O)c3oc4ccccc4c3C)oc3ccccc23)n1 21783188 DWVDVJRKDRPBLB-UHFFFAOYSA-N 477.567 5.619 50 10 JKGE CCCCOC(=O)c1c(NC(=O)/C(C#N)=C\c2ccc(-c3ccc(F)cc3)o2)sc2c1CCCC2 35403348 WVYIEAMJRXACSB-SDXDJHTJSA-N 492.572 6.529 50 10 JKGE N#C/C(=C/c1ccccc1OCc1c(F)cccc1Cl)C(=O)Nc1ccccc1C(=O)O 35405418 GRBIONPXZKYSME-VBKFSLOCSA-N 450.853 5.302 50 10 JKGE Cc1cccc(C)c1OCC(=O)Oc1ccc2c(c1)OC(N)=C(C#N)[C@@H]2c1ccc(C(C)(C)C)cc1 38649772 FOYIAOBBXUPTCS-HHHXNRCGSA-N 482.580 5.804 50 10 JKGE CC(C)c1ccc(O[C@H](C)C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@@H]3c2cccc(Cl)c2)cc1 38651252 GOCHTLBPNCCDFU-WGDIFIGCSA-N 488.971 6.054 50 10 JKGE N#CC1=C(N)Oc2cc(OC(=O)c3cc([N+](=O)[O-])ccc3Cl)ccc2[C@@H]1c1ccc(Cl)cc1 38651438 ISSORQHHXROXIF-NRFANRHFSA-N 482.279 5.339 50 10 JKGE Cc1cc(C)cc(OCC(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@@H]3c2c(Cl)cccc2Cl)c1 38679884 QQOLSBAOBRHRLG-XMMPIXPASA-N 495.362 5.813 50 10 JKGE CCOC(=O)/C(C#N)=C/c1ccc(OC(=O)CCCOc2cc(C)c(Cl)c(C)c2)c(OC)c1 40948460 QRLUOURLURJPGK-CPNJWEJPSA-N 471.937 5.200 50 10 JKGE C#CCOc1ccccc1/C=N/NC(=O)c1ccc(OCc2ccc(Cl)cc2Cl)cc1 48572786 GOKLESATHONQNL-JFLMPSFJSA-N 453.325 5.348 50 10 JKGE CCOc1ccc([C@@H](O)CCC(=O)N/N=C\c2ccccc2OCc2ccccc2Cl)cc1 58895429 AVRBHZAEMZUVPM-VNIQIGACSA-N 466.965 5.282 50 10 JKGE Cc1cccc(NC(=O)/C(C#N)=C/c2cn(Cc3ccc(Cl)c(Cl)c3)c3ccccc23)c1 59201082 WXPUGCVWUDYYLQ-CPNJWEJPSA-N 460.364 6.851 50 10 JKGE CCCCN1C(=O)C(C#N)=C(C)/C(=C\c2cn(-c3ccccc3)nc2-c2ccc(OC)c(C)c2)C1=O 101333006 SKNWOGKLXZPJEV-LFVJCYFKSA-N 480.568 5.249 50 10 JKGE CCCCCN1C(=O)C(C#N)=C(C)/C(=C\c2cn(-c3ccccc3)nc2-c2ccc(Cl)cc2)C1=O 101333246 XKGKMWCVGFZNLR-LFVJCYFKSA-N 484.987 5.975 50 10 JKGE CC1=C(C#N)C(=O)N(Cc2ccco2)C(=O)/C1=C/c1ccc(-c2ccc(Br)cc2)o1 101336780 MZICFUWHPQFTBQ-YBFXNURJSA-N 463.287 5.095 50 10 JKGE CCCCOC(=O)c1c(NC(=O)/C(C#N)=C\c2ccc(-c3ccc(C)cc3)o2)sc2c1CCCC2 102972392 CUEZSHPSQMTIFS-SILNSSARSA-N 488.609 6.698 50 10 JKGE Cc1ccc(Br)cc1[C@@H](Cl)c1cc(Br)sc1Br 114980404 VPOIPKMRMITHIS-LLVKDONJSA-N 459.428 6.672 50 10 JKGE Cc1cc([C@H](Br)c2ccccc2I)sc1Br 126786910 LLOYKQJJZYLWQI-LLVKDONJSA-N 471.983 5.908 50 10 JKGE Cc1cc(Br)c([C@H](Cl)c2cccc(S(C)(=O)=O)c2)cc1Br 128722149 JFXIYIHHXWKCNL-OAHLLOKOSA-N 452.595 5.252 50 10 JKGE C[C@@H](Br)c1ccccc1NS(=O)(=O)c1cc(Br)ccc1Br 136612951 PWAQHEFEUZMMRQ-SECBINFHSA-N 498.034 5.468 50 10 JKGE O=C(c1cc(Br)ccc1Br)N(CCBr)Cc1ccccc1 161193430 LSCTUPMALILCJU-UHFFFAOYSA-N 476.006 5.249 50 10 JKGE CCCOc1cccc(-c2nn(-c3ccccc3)cc2/C=C2\C(=O)N([C@H](C)CC)C(=O)C(C#N)=C2C)c1 214261681 IWGJRVSCFHAHFO-OVZSPSEASA-N 494.595 5.719 50 10 JKGE Brc1cc2c(c([C@H](Br)c3sccc3Br)c1)OCC2 228444451 IZCLTSLOYRFVIS-NSHDSACASA-N 452.993 5.692 50 10 JKGE CCOc1ccc([C@H](Cl)c2ccc(I)c(Cl)c2)cc1Br 232345319 SJMCJTYOMLWJOQ-HNNXBMFYSA-N 485.974 6.434 50 10 JKGE O=C(CSc1nc2ccccc2s1)NN=Cc1cccc(OCc2ccccc2Cl)c1 252620389 MDAOLSDVGUOSMG-UHFFFAOYSA-N 468.003 5.771 50 10 JKGE Cc1ccc(-n2c(SCC(=O)NN=Cc3ccccn3)nnc2-c2ccc(C(C)(C)C)cc2)cc1 254489894 KXAWPKQXLIAGSD-UHFFFAOYSA-N 484.629 5.178 50 10 JKGE Cc1cccc([C@H](Br)Cc2cccc(Br)c2)c1I 300471099 GFCLWPNYTWEPHS-CQSZACIVSA-N 479.981 6.041 50 10 JKGE COCc1cc(Br)c([C@@H](Br)c2ccc(F)cc2Br)s1 688146434 PDUWFPMKXIRXQE-LBPRGKRZSA-N 472.999 6.043 50 10 JKGE Clc1sc([C@@H](Br)Cc2ccccc2Br)cc1Br 692424121 RHUWLXNWQHUHBC-VIFPVBQESA-N 459.428 6.605 50 10 JKGE C[C@@H](COCc1ccccc1)COc1c(Br)cc(CCl)cc1Br 719519351 GDUQGBQKMJAMGL-ZDUSSCGKSA-N 462.609 6.182 50 10 JKGE O=C(NN=Cc1ccc(Cl)cc1)c1ccc(NC(=O)c2ccc(Br)cc2)cc1 1084166317 DLHLWMDVAVEBJO-UHFFFAOYSA-N 456.727 5.119 50 10 JKGE COc1ccc(C(=O)NN=C2CCCc3oc(C(=O)Nc4ccccc4Br)c(C)c32)cc1 1772746573 WSMIXPKQIIKUOB-UHFFFAOYSA-N 496.361 5.082 50 10 JKGE COc1ccc(OC)c(NC(=O)c2oc3c(c2C)C(=NNC(=O)c2cccc4ccccc24)CCC3)c1 1772747811 KQTMMHGQQBILMP-UHFFFAOYSA-N 497.551 5.481 50 10 JKGE COc1cc(C=NNC(=O)COc2ccc(C)cc2C(C)(C)C)ccc1OCc1ccccc1Cl 1772752918 ZOVGLOAFOPOZRU-UHFFFAOYSA-N 495.019 6.063 50 10 JKGE CCc1cccc(OCC(=O)NN=Cc2cc(Br)c(OCc3ccccc3)c(OC)c2)c1 1772753635 WYDFKWZINDSBCE-UHFFFAOYSA-N 497.389 5.128 50 10 JKGE Cc1c(C(=O)NCc2ccc(OC(=O)Nc3ccc(SC#N)cc3)cc2)cccc1[N+](=O)[O-] 1858910295 BVILVBDXGZZLBM-UHFFFAOYSA-N 462.487 5.017 50 10 JKGE COc1ccc(-c2nn(Cc3ccccc3F)c3c2[C@@H](c2cccs2)C(C#N)=C(N)O3)cc1 1865698509 VUNABMXWQCTVFZ-OAQYLSRUSA-N 458.518 5.026 50 10 JKGE COc1ccc(-n2nc(-c3ccccc3)c3c2OC(N)=C(C#N)[C@H]3c2c[nH]c3ccccc23)cc1 1865700612 YZSNJAQQLKFYPK-DEOSSOPVSA-N 459.509 5.247 50 10 JKGE COc1cccc([C@H]2C(C#N)=C(N)Oc3c2c(-c2ccccc2)nn3-c2ccc(Cl)cc2)c1OC 1865701253 QHDDAZRNSIXXLI-QFIPXVFZSA-N 484.943 5.428 50 10 JKGE COc1ccc(-c2nn(Cc3ccc(F)cc3)c3c2[C@H](c2ccc(F)cc2F)C(C#N)=C(N)O3)cc1 1865701836 GOGPDDZDGZJEJA-HSZRJFAPSA-N 488.469 5.242 50 10 JKGE N#CC1=C(N)Oc2c(c(-c3ccccc3)nn2-c2cccc3ccccc23)[C@H]1c1ccc(F)cc1F 1865702225 PTROHQWSFJBNAN-VWLOTQADSA-N 476.486 6.189 50 10 JKGE CCCOc1ccccc1[C@@H]1C(C#N)=C(N)Oc2c1c(C)nn2-c1ccc(Cl)c(Cl)c1 1865703813 GGGONBUBZFTWCQ-OAQYLSRUSA-N 455.345 5.495 50 10 JKGE CC(C)OC(=O)c1ccc(/C(C#N)=C/c2ccc(OCc3c(Cl)cccc3Cl)cc2)o1 1872728566 JHZCNJBYKKEQMD-SFQUDFHCSA-N 456.325 6.795 50 10 JKGE COc1ccc(Cl)cc1N1C[C@@H](/C(O)=C(\C#N)c2nc(-c3ccc(C(C)C)cc3)cs2)CC1=O 1872752250 TXSQIRYQMWIUER-IHCLVQKISA-N 494.016 6.441 50 10 JKGE CC[C@@H](C)N1C(=O)c2ccc(/C(O)=C(\C#N)c3nc(-c4ccc(OC)c(F)c4)cs3)cc2C1=O 1872752884 XQQRKTJTVWPNEN-LKOLJXARSA-N 477.517 5.302 50 10 JKGE COc1ccc(OC)c(C/C(O)=C(\C#N)c2nc(-c3cc(C)c(Cl)cc3OC)cs2)c1 1872755200 CMTXELGNFMTESX-JZJYNLBNSA-N 456.951 5.833 50 10 JKGE COc1c(C)cc(Cl)cc1-c1csc(/C(C#N)=C(\O)Cc2ccc(OC(C)C)cc2)n1 1872757006 MBJPWTZZEMHKJY-XDOYNYLZSA-N 454.979 6.603 50 10 JKGE COc1cc(C)c(-c2csc(/C(C#N)=C(\O)[C@@H]3CC(=O)N(Cc4ccccc4)C3)n2)cc1C 1872757986 FYECEULMHQMLFZ-FPOCJBQTSA-N 459.571 5.277 50 10 JKGE CCc1cccc(C)c1N1C[C@@H](/C(O)=C(\C#N)c2nc(-c3cc(Cl)ccc3OC)cs2)CC1=O 1872758566 GTPJKQLXZYPPKH-MQPOEVEDSA-N 494.016 6.189 50 10 JKGE CCOc1cc(/C=C(\C#N)c2nc(-c3ccc(CC)cc3)cs2)ccc1OCc1ccccc1 1872781592 LDFLYJOBTVRLSE-PCLIKHOPSA-N 466.606 7.414 50 10 JKGE N#C/C(=C\c1ccccc1OCc1ccc(Cl)cc1)c1nc(-c2ccc3c(c2)CCCC3)cs1 1872782933 XRQQNFVYFMSOMQ-PCLIKHOPSA-N 483.036 7.985 50 10 JKGE CCCCCCOc1ccc(/C=C(\C#N)c2nc(-c3ccc(Cl)cc3)cs2)cc1OC 1872790032 GDVIFEUPSFZZIU-XSFVSMFZSA-N 453.007 7.495 50 10 JKGE COc1c(Cl)cc(-c2csc(/C(C#N)=C/c3ccc(Cl)c([N+](=O)[O-])c3)n2)cc1Cl 1872794715 RMVHKZIABZNFHX-UUILKARUSA-N 466.733 6.751 50 10 JKGE CC(C)(C)OC(=O)N[C@@H](CBr)[C@H]1CCN(C(=O)OC(C)(C)C)C2(CCCC2)C1 1891721228 OHWJNXSTRXMBPL-HOTGVXAUSA-N 461.441 5.235 50 10 JKGE Fc1cscc1[C@H](Br)c1cc(Br)ccc1OCc1ccccc1 1899849674 PBHMTVFECADZAD-GOSISDBHSA-N 456.174 6.713 50 10 JKGE O=C(N[C@H](CCBr)COCc1ccccc1)c1ccccc1OCc1ccccc1 1902789790 AXEBWNGUXMSZMJ-JOCHJYFZSA-N 468.391 5.366 50 10 JKGE O=C1c2ccccc2C(=O)N1C[C@@H](Br)CCc1cccc(Cl)c1Br 1905437099 FVERHFFTAMNOLS-LBPRGKRZSA-N 471.576 5.095 50 10 JKGE Cl[C@@H](c1c(Br)sc(Br)c1Br)[C@@H]1C[C@@H]2CC[C@H]1O2 1906735429 YMAVQCGEGDNFNE-BKIHBWCSSA-N 465.432 5.883 50 10 JKGE C[C@@H]1CCN(Cc2ccccc2)C[C@H]1n1c(CCl)nc2c(Br)cc(F)cc21 1912653021 JHQQNODOOFOZQV-AUUYWEPGSA-N 450.783 5.760 50 10 JKGE CC(C)(C)OC1CC([C@@H](Br)c2cc(Br)c(Br)s2)C1 1913994338 MHEZFFWRJSHECQ-OIAXGBPSSA-N 461.057 6.303 50 10 JKGE C[C@@H](Cl)CN(Cc1ccccc1)C(=O)c1csc(Br)c1Br 1914634708 UGWZJJUBAILYDT-SNVBAGLBSA-N 451.611 5.543 50 10 JKGE C[C@H](CCBr)N(Cc1ccccc1)C(=O)c1ccc(Br)cc1C(F)(F)F 1915090752 OMPFABVVFHTOFB-CYBMUJFWSA-N 493.161 6.284 50 10 JKGE CCOc1ccc([C@@H](Br)c2cc(C)c(Br)o2)cc1Br 1917605956 KAFXIMHLLSDYTC-CYBMUJFWSA-N 452.968 5.996 50 10 JKGE Clc1ccc(C[C@@H](Br)c2ccc(Br)cc2Br)nc1 1918239739 PIVSDOXIDCRAMW-CYBMUJFWSA-N 454.387 5.939 50 10 JKGE Cc1c(Br)sc([C@@H](Br)[C@@H]2CCc3ccccc3C2)c1Br 1922881549 IXYCVDINXGSCNN-OCCSQVGLSA-N 479.075 6.823 50 10 JKGE Clc1csc([C@H](Br)c2sc(Br)cc2Br)c1Cl 1922907410 UCOZBHQASMQOIJ-ZCFIWIBFSA-N 485.875 7.126 50 10 JKGE Cc1c(Br)sc([C@H](Br)Cc2ccc(F)cc2)c1Br 1922946453 RDDASSDATYTQAJ-SNVBAGLBSA-N 457.000 6.399 50 10 JKGE Clc1c(Br)sc(Br)c1[C@H](Cl)[C@@H]1CC[C@H]2CCCC[C@@H]2C1 1923050189 RCMHUGLJNKWPGL-DNRKLUKYSA-N 461.090 7.813 50 10 JKGE Cl[C@H](c1c(Br)sc(Br)c1Br)[C@@H]1[C@H]2CCCC[C@H]21 1924583215 HIXCGGZIMBMIKJ-DHCFDGJBSA-N 463.460 6.752 50 10 JKGE Cc1cccc([C@@H](Cl)c2c(Br)sc(Br)c2Br)c1Cl 1924589844 GBNANUYSIZSEJU-SNVBAGLBSA-N 493.873 7.326 50 10 JKGE FC1(F)CCCC[C@H]1[C@H](Cl)c1c(Br)sc(Br)c1Br 1924590848 MFMYSKAJXKPIIP-XNCJUZBTSA-N 487.429 7.141 50 10 JKGE Cc1ccc([C@@H](Br)c2ccc(Br)cc2I)s1 1995285811 KXTSNICDMPCHET-LBPRGKRZSA-N 471.983 5.908 50 10 JKGE Brc1ccc([C@H](Br)c2ccccc2)c(I)c1 1995286293 RDQMCOJPMVAQNZ-CYBMUJFWSA-N 451.927 5.538 50 10 JKGE CCc1sc(Br)cc1[C@@H](Br)Cc1ccc(Br)cc1 2030223553 UPRQSMSYWWLNBV-LBPRGKRZSA-N 453.037 6.514 50 10 JKGE Cn1cc([C@H](Br)c2cc(Cl)c(Br)cc2F)c(Br)n1 2052969633 IMVKAPSBHNWFOW-SNVBAGLBSA-N 461.354 5.222 50 10 JKGE O=C(N[C@@H](CBr)c1ccsc1)c1csc(Br)c1Br 2055475844 BKWUSLSNGRYVQT-QMMMGPOBSA-N 474.037 5.201 50 10 JKGE CC(C)C(CCO[C@]1(CI)CCCN(C(=O)OC(C)(C)C)C1)C(C)C 2068954653 ZHPHHVPGGSIIOH-FQEVSTJZSA-N 467.432 5.526 50 10 JKGE Cc1cc(Br)c(C)c([C@@H](Cl)c2coc(Br)c2)c1Br 2081072403 TTYBOKGYLOQGLR-ZDUSSCGKSA-N 457.387 6.512 50 10 JKGE Cc1c(Cl)cccc1[C@H](Br)c1ccc(Br)cc1Br 2083341321 YKJKIXNBBVUWEF-AWEZNQCLSA-N 453.399 6.658 50 10 JKGE COc1c(C)cc(Br)cc1[C@@H](Cl)c1sccc1I 2085637688 VODMEMSVPZBQEM-LLVKDONJSA-N 457.558 5.760 50 10 JKGE O=C(c1cc(Br)sc1Br)N1CCC[C@@H](CCBr)CC1 2093316352 ZPDQYIQCERYPHG-VIFPVBQESA-N 474.056 5.300 50 10 JKGE Fc1cc(Cl)c(Br)cc1[C@H](Cl)c1cc(Br)ccc1Br 2097835044 POTFIODTQOUADM-CYBMUJFWSA-N 491.807 7.095 50 10 JKGE O=C([C@H](Cl)c1ccc(OCc2ccccc2)c(OCc2ccccc2)c1)N1CCCCCC1 2134724569 YEKDEQMPDTVGTF-HHHXNRCGSA-N 464.005 6.527 50 10 JKGE Cl[C@H](c1c(Br)sc(Br)c1Br)[C@@H]1C[C@@H]1C1CCCCC1 2135272813 JRRHHVJVACOALG-LNLATYFQSA-N 491.514 7.532 50 10 JKGE Cc1cc(Br)c(F)c([C@H](Br)c2cc(C)c(Br)cc2C)c1 2145599197 BGKGEMICANIYPG-OAHLLOKOSA-N 464.998 6.760 50 10 JKGE Cc1c(Cl)cc(COc2ccc(Br)cc2CBr)cc1Br 2167395373 JTZSKORLQVGBQD-UHFFFAOYSA-N 483.425 6.647 50 10 JKGE ClCc1nc2cc(Cl)c(Br)cc2n1-c1ccc(I)cc1 2169019075 IGJFTKMURLUYAU-UHFFFAOYSA-N 481.946 5.785 50 10 JKGE O=C(c1cc(Br)ccc1Br)N1CC[C@@H](Br)CC12CCC2 2169883549 ALTDRAOACLYIAX-LLVKDONJSA-N 466.011 5.134 50 10 JKGE CN(c1c(CCl)ccc(Br)c1Cl)[C@@H]1C[C@@H]2C[C@@H](OCc3ccccc3)C[C@H]21 2190538635 ZJZMIEPQGCEDSM-JRBPQWBISA-N 469.250 6.661 50 10 JKGE CC[C@@H](C)c1ccc([C@@H](Cl)c2ccc(Br)cc2I)cc1 2207274269 ZSAIHMJVHPUIFX-PIGZYNQJSA-N 463.584 6.895 50 10 JKGE CC[C@H](Br)CN(Cc1ccccc1)C[C@H]1CC1(Br)Br 2208984631 YSKFOAKZEZDKSL-KGLIPLIRSA-N 454.044 5.168 50 10 JKGE Fc1ccc([C@H](Cl)Cc2sc(Br)c(Br)c2Br)cc1 2222471703 MFXFJUPXIYJHLO-MRVPVSSYSA-N 477.418 6.697 50 10 JKGE Cc1ccc(I)c([C@H](Cl)c2sc(C)c(Br)c2C)c1 2224052123 BKALAQAPZKYOMC-ZDUSSCGKSA-N 455.586 6.369 50 10 JKGE COCCC1([C@@H](Br)c2c(Br)cc(Cl)c(Cl)c2Cl)CC1 2224303072 RQJBWXVWPRIQAH-LBPRGKRZSA-N 451.413 6.662 50 10 JKGE ClCCc1nc2c(Br)cccc2n1C[C@@H]1CC1(Br)Br 2224809828 ZMPGGBQQCOQSMN-QMMMGPOBSA-N 471.418 5.086 50 10 JKGE Fc1cc(Br)c(Br)cc1[C@H](Br)c1c(Cl)cccc1Cl 2225632532 CUPHJUOVJLNIRF-ZDUSSCGKSA-N 491.807 7.142 50 10 JKGE CCOCc1cc(Br)c([C@H](Br)c2ccc(Cl)cc2Cl)s1 2233021693 YYEXIWZANTWKHF-CYBMUJFWSA-N 459.030 6.838 50 10 JKGE O=C(c1cc(Br)c(Br)s1)N1CC[C@H]2[C@H](CCC[C@H]2Br)C1 2233739837 IGGLNXRMRIEHKR-KXUCPTDWSA-N 486.067 5.299 50 10 JKGE COc1cc(Br)c([C@@H](Br)c2sc(C)cc2Br)cc1OC 2237632774 CFGUCXICGPSCSN-CYBMUJFWSA-N 485.035 6.083 50 10 JKGE Brc1ccccc1[C@@H](CI)O[C@@H]1CCN(Cc2ccccc2)C1 2244772327 YGHHTDVOBOKCFF-VQIMIIECSA-N 486.191 5.216 50 10 JKGE Cl[C@@H](Cc1cc(Br)cc(Br)c1)c1ccsc1Br 2252837732 UDNHYDIJWSYXFW-NSHDSACASA-N 459.428 6.558 50 10 JKGE CCc1cc([C@H](Br)c2ccc(Br)c(Cl)c2)sc1Br 2255987669 DDGKUKIXBQPSND-GFCCVEGCSA-N 473.455 6.973 50 10 JKGE CCc1cc([C@H](Br)c2ccc(OC)cc2Br)sc1Br 2267755826 GHGXOWGZQSJEAT-CYBMUJFWSA-N 469.036 6.328 50 10 JKGE Cc1c(Br)ccc([C@H](Br)[C@]23CCCC[C@@H]2CC3)c1Br 2273343768 OYWGDVCKRWBSNP-RLCCDNCMSA-N 451.040 6.926 50 10 JKGE Cc1c(Br)sc([C@H](Cl)c2ccc(C(F)(F)F)s2)c1Br 2277708482 OPMNIESXFZVXAT-MRVPVSSYSA-N 454.558 6.990 50 10 JKGE Clc1ccc([C@@H](Br)c2cc3sc(Br)cc3s2)cc1Cl 2278103496 VIJJVFALQZEJMS-CYBMUJFWSA-N 457.039 7.516 50 10 JKGE COc1cc(C)c(Br)c(C)c1[C@H](Br)c1scc(Cl)c1Cl 2285062597 FPHUKQUSVCKKMJ-LBPRGKRZSA-N 459.030 6.927 50 10 JKGE N#CC(=Cc1ccc(-c2ccc(Cl)c([N+](=O)[O-])c2)o1)C(=O)Nc1ccccc1Br 2293038749 XQGKQFHEMHHINZ-UHFFFAOYSA-N 472.682 5.816 50 10 JKGE COc1ccc(-c2csc(C(C#N)=CNc3cc(OC)c(OC)cc3C(C)=O)n2)cc1OC 2295937256 DXUNWRTXNKUGNZ-UHFFFAOYSA-N 465.531 5.024 50 10 JKGE COc1ccc(-c2csc(C(C#N)=Cc3ccc(I)cc3)n2)cc1OC 2297321238 QQEPUGCRGXTGMV-UHFFFAOYSA-N 474.323 5.496 50 10 JKGE CCOc1cc(C=C(C#N)C(=O)Nc2cccc(Cl)c2Cl)ccc1OCc1cccc(F)c1 2313571196 PLURASZLWFWVDZ-UHFFFAOYSA-N 485.342 6.656 50 10 JKGE COc1ccc(C(=O)Oc2ccc(C=C(C#N)C(=O)Nc3cccc(Cl)c3)cc2OC)cc1 2313631325 NXRVIKSTPFPXKG-UHFFFAOYSA-N 462.889 5.122 50 10 JKGE CCOc1cc(C=C(C#N)C(=O)Nc2cc([N+](=O)[O-])ccc2Cl)ccc1OCc1ccc(C)cc1 2313681197 SKWJPSHZOHAXOH-UHFFFAOYSA-N 491.931 6.080 50 10 JKGE N#CC(=Cc1cc(Br)ccc1OCc1ccccc1)C(=O)Nc1cccc2ccccc12 2313738593 INJXRMDGMVTWCN-UHFFFAOYSA-N 483.365 6.727 50 10 JKGE COCCCNC(=O)C(C#N)=Cc1cn(-c2ccccc2)nc1-c1ccc(OCc2ccccc2)cc1 2314414928 RENHOTDJQRDQKP-UHFFFAOYSA-N 492.579 5.178 50 10 JKGE CCCCOc1ccc(C=C(C#N)c2nc(-c3ccc(Br)cc3)cs2)cc1OC 2314489149 OTHYOOQMALYKLC-UHFFFAOYSA-N 469.404 6.824 50 10 JKGE Cc1cc(C)cc(Oc2nc3ccccn3c(=O)c2C=C(C#N)C(=O)Nc2ccc(C)c(C)c2)c1 2314533611 SEQPNMZOBBGIQI-UHFFFAOYSA-N 464.525 5.266 50 10 JKGE COc1ccc(N2C(=O)[C@@H](Cc3cccc(C)c3)SC2=C(C#N)C(=O)Nc2ccccc2OC)cc1 2314591769 DQJDYBPZFISSOP-RUZDIDTESA-N 499.592 5.077 50 10 JKGE Cc1ccc(C[C@@H]2SC(=C(C#N)C(=O)Nc3cccc(C)c3)N(c3ccc(C)c(C)c3)C2=O)cc1 2314592624 YVCZADIRKYNJFY-SANMLTNESA-N 481.621 5.985 50 10 JKGE CC(C)c1ccc(N2C(=O)[C@H](Cc3ccccc3F)SC2=C(C#N)C(=O)Nc2ccccc2)cc1 2314593652 QLHUUIBWHQJKNA-VWLOTQADSA-N 485.584 6.014 50 10 JKGE C[C@H](Oc1ccc(Cl)cc1Cl)C(O)=C(C#N)c1nc(-c2ccc3ccccc3c2)cs1 2331238971 HSFUMBVNOWQDMW-AWEZNQCLSA-N 467.377 7.530 50 10 JKGE CCCCc1ccc(-c2csc(C(C#N)=C(O)CCCCCNC(=O)c3ccccc3)n2)cc1 2331256670 NOHXCDNKLZIKJU-UHFFFAOYSA-N 473.642 6.936 50 10 JKGE CCCOc1ccc(-c2csc(C(C#N)=C(O)[C@@H]3CC(=O)N([C@@H](C)c4ccccc4)C3)n2)cc1 2331318411 IWTQISBZRQEETD-GHTZIAJQSA-N 473.598 6.001 50 10 JKGE COc1ccc(OCCCC(O)=C(C#N)c2nc(-c3ccc4c(c3)OCCO4)cs2)cc1 2331331138 WHYCWXJBWRGPOA-UHFFFAOYSA-N 450.516 5.242 50 10 JKGE CC(C)c1ccc(-c2csc(C(C#N)=C(O)c3ccc(N4CCCC4)c([N+](=O)[O-])c3)n2)cc1 2331343123 UZITZVMKACEJEQ-UHFFFAOYSA-N 460.559 6.392 50 10 JKGE C[C@@H](Oc1ccc(Cl)cc1Cl)C(O)=C(C#N)c1nc(-c2ccc(F)c(F)c2)cs1 2331352456 XZGUOJOJOPOJGC-SNVBAGLBSA-N 453.297 6.655 50 10 JKGE COc1cc(C)c(-c2csc(C(C#N)=C(O)c3c(Cl)ccc(Cl)c3OC)n2)cc1C(C)C 2331356080 LFTXHQFDOHXDBV-UHFFFAOYSA-N 489.424 7.516 50 10 JKGE Cc1cc(OCC(O)=C(C#N)c2nc(-c3ccc(Oc4ccccc4)cc3)cs2)cc(C)c1Cl 2331358965 KRCGCBWITJLZTI-UHFFFAOYSA-N 488.996 7.744 50 10 JKGE Cc1cc(C(O)=C(C#N)c2nc(-c3ccc(Oc4ccccc4)cc3)cs2)ccc1[N+](=O)[O-] 2331360313 UJFMEPCQXVGPTG-UHFFFAOYSA-N 455.495 6.769 50 10 JKGE COc1cc(Cl)c(C)cc1-c1csc(C(C#N)=C(O)c2cccc(OCC(C)C)c2)n1 2331390217 QXXAFXSPCGXSKN-UHFFFAOYSA-N 454.979 6.765 50 10 JKGE COc1ccc(C=C(C(O)=C(C#N)c2nc(-c3c(C)cc(C)cc3C)cs2)c2ccccc2)cc1 2331393987 PZPNXJAAANXGFI-UHFFFAOYSA-N 478.617 7.777 50 10 JKGE COc1cccc(C=C(C#N)c2nc(-c3ccc(F)c(C)c3)cs2)c1OCc1cccc(C)c1 2331449204 YBFVYQGFMREEDM-UHFFFAOYSA-N 470.569 7.218 50 10 JKGE COc1cc(C=C(C#N)c2nc(-c3cc(C(C)(C)C)ccc3C)cs2)ccc1OCc1ccccc1 2331478464 MODVRPHOLITNGP-UHFFFAOYSA-N 494.660 8.068 50 10 JKGE COc1cc([C@@H](Cl)c2ccc(OCc3ccccc3)cc2Br)ccc1Br 2336079645 HCBCEOZSWIGAFT-OAQYLSRUSA-N 496.626 7.127 50 10 JKGE Cc1ccc([C@@H](Br)c2ccc(OCc3ccccc3)cc2Br)c(F)c1F 2336084354 SNSVXRBEWUYIQJ-IBGZPJMESA-N 482.162 7.099 50 10 JKGE Fc1c(Br)cc(Cl)c([C@H](Br)[C@@H]2[C@@H]3CCCO[C@H]32)c1Br 2337084839 QHBYUZXIINYLHZ-QCVHPIQRSA-N 477.393 5.865 50 10 JKGE Fc1c(Br)cc(Cl)c([C@H](Br)[C@H]2CCCC2(F)F)c1Br 2337092019 KFIMKXYQIHYHOH-MLUIRONXSA-N 485.363 6.876 50 10 JKGE FC(F)(F)C12CC([C@H](Br)c3cc(Br)c(Br)s3)(CO1)C2 2338586104 JNUDPTAXJQIYMB-CUUXFQNZSA-N 484.957 5.821 50 10 JKGE Cc1cc(Br)c(F)c(Br)c1[C@H](Br)C[C@@H]1CC[C@H](C)O1 2339652708 BTBICASNNKRORQ-LPEHRKFASA-N 458.991 6.053 50 10 JKGE COc1cc(C)c(Br)cc1[C@@H](Br)c1csc(C)c1Br 2343557601 NLPHNKJGFWNOHV-CQSZACIVSA-N 469.036 6.383 50 10 JKGE Clc1ccc(I)cc1C[C@@H]1C[C@@H](Br)CC2(CCC2)C1 2352427322 GOKFUEFRENVHSI-DGCLKSJQSA-N 453.589 6.221 50 10 JKGE COc1ccc([C@@H](Br)[C@@H]2CC[C@@H]3[C@H](C2)C3(F)F)cc1I 2359464707 HSNANEHZHXNUAD-GJTWSCIVSA-N 457.096 5.417 50 10 JKGE Fc1cc(Br)c(F)c(Br)c1[C@@H](Br)[C@@H]1CC[C@@H]2C[C@H]1CO2 2359749281 GCWMXTFZRHYKNG-FCGKXJCRSA-N 474.965 5.741 50 10 JKGE Cc1cc(Br)c(F)c(Br)c1[C@@H](Br)C12CCC(CC1)CC2 2365188401 KXOLCPKQOXNHSC-KRSWERPXSA-N 469.030 7.066 50 10 JKGE CC(C)n1ncc(Br)c1COc1ccc(Br)c(CBr)c1 2368164236 HKSLEEZRDZNXEX-UHFFFAOYSA-N 466.999 5.463 50 10 JKGE Cl[C@@H]1CCC[C@@H]2CN(Cc3ccc(I)c(Br)c3)CC[C@@H]21 2377314037 FAGYEDJHNKSZIK-VNHYZAJKSA-N 468.604 5.283 50 10 JKGE CC(C)(C)c1ccc(C(=O)NNC(=O)COc2ccc(-c3ccccc3)cc2)cc1Br 13982086 IFWIPVBTTSHBBC-UHFFFAOYSA-N 481.390 5.254 50 10 JKGE COc1cc(Cl)c(Cl)c(/C=N/NC(=O)c2cc(-c3ccccc3)nc3ccccc23)c1O 27520006 YXKIFKPCCSRNNN-UVHMKAGCSA-N 466.324 5.687 50 10 JKGE CCOC(=O)/C(C#N)=C\c1cn(-c2ccccc2)nc1-c1cccc(OCc2ccc(Cl)cc2)c1 35446091 WBOOOIXYKARYPF-JCMHNJIXSA-N 483.955 6.242 50 10 JKGE CCCCOc1ccccc1C(=O)Oc1ccc2c(c1)OC(N)=C(C#N)[C@@H]2c1cccc(OC)c1 38650243 JLBURIZSUBYFIH-AREMUKBSSA-N 470.525 5.311 50 10 JKGE N#CC1=C(N)Oc2cc(OC(=O)Cc3cccc4ccccc34)ccc2[C@@H]1c1ccc([N+](=O)[O-])cc1 38654832 XRQXKNKIDQIRNF-MHZLTWQESA-N 477.476 5.114 50 10 JKGE N#CC1=C(N)Oc2cc(OC(=O)c3cccc(Cl)c3)ccc2[C@H]1c1c(Cl)cccc1Cl 38679958 UWJQXQQEDUZXIZ-HXUWFJFHSA-N 471.727 6.084 50 10 JKGE CCCCCOc1ccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)COc4cccc(C)c4)ccc32)cc1 38685413 MPJTWNWITXXRCU-LJAQVGFWSA-N 498.579 5.767 50 10 JKGE CCOc1ccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)[C@H](C)Oc4ccc(C(C)C)cc4)ccc32)cc1 38685935 SLRPGMOGXGPFLV-HMILPKGGSA-N 498.579 5.800 50 10 JKGE Cc1ccccc1NC(=O)/C(C#N)=C/c1c(Oc2ccc(C(C)(C)C)cc2)nc2c(C)cccn2c1=O 39992818 DXMQRNCNAMQWEW-HEHNFIMWSA-N 492.579 5.947 50 10 JKGE COc1cc(/C=C(\C#N)c2ccc(Cl)cc2)ccc1OC(=O)COc1ccc(Cl)c(C)c1 40850988 KQSHDLNAKMTKFV-XDHOZWIPSA-N 468.336 6.359 50 10 JKGE CCc1cccc(OCC(=O)N/N=C/c2ccc(OCc3ccccc3Cl)c(OC)c2)c1 40888510 WZXBAGQDENDJGN-JFLMPSFJSA-N 452.938 5.019 50 10 JKGE COc1cc(/C=N/NC(=O)COc2ccccc2-c2ccccc2)ccc1OCc1ccccc1C 40911577 AUAVBBOSGICRFT-ZCTHSVRISA-N 480.564 5.779 50 10 JKGE N#C/C(=C\c1ccc(OC(=O)/C=C/c2ccc(Cl)cc2Cl)cc1)C(=O)NCc1ccco1 40926689 ADGJRHWHHBVYGK-PDDUZAPNSA-N 467.308 5.429 50 10 JKGE CCOc1ccc([C@@H](O)CCC(=O)N/N=C\c2cc(C)n(-c3ccc(C(C)C)cc3)c2C)cc1 58893363 HCUWVFHQDLWBRN-QSRSGOJESA-N 461.606 5.580 50 10 JKGE N#C/C(=C/Nc1ccc(S(=O)(=O)Nc2nccs2)cc1)c1nc(-c2ccc(F)cc2)cs1 102701284 DXABKCXZSFFHPI-QINSGFPZSA-N 483.575 5.183 50 10 JKGE COc1ccc(OC)c(N/C=C(\C#N)c2nc(-c3cc4c(ccc5ccccc54)oc3=O)cs2)c1 102892450 RRVCZHVTVZVHIP-SAPNQHFASA-N 481.533 6.063 50 10 JKGE Cc1sc2nc(SCC(=O)/C(C#N)=C3/Nc4ccccc4S3)[nH]c(=O)c2c1-c1ccccc1 103908087 RJTZEVWNYDKQQC-JCMHNJIXSA-N 488.619 5.574 50 10 JKGE Clc1cc([C@H](Br)c2ccc(Br)s2)sc1Br 127562127 IHIDJMKHFMGABU-MRVPVSSYSA-N 451.430 6.472 50 10 JKGE Fc1cccc(Cl)c1C[C@@H](Br)c1cc(Br)c(Br)s1 128227408 ZBPFHDJBSJOSDB-SSDOTTSWSA-N 477.418 6.744 50 10 JKGE Cc1cc(Br)cc([C@@H](Br)c2cc(F)c(Br)cc2F)c1 132005869 ZSMJAZQWWHKXRW-CQSZACIVSA-N 454.934 6.283 50 10 JKGE Cc1ccc([C@@H](Br)c2cc(Cl)c(Br)s2)c(Br)c1 163921897 DYDCGMKJAHWMMU-LLVKDONJSA-N 459.428 6.719 50 10 JKGE CC[C@H](C)[C@@H](c1ccccc1)[C@@H](Br)c1cc(Br)ccc1Br 217516117 CDEYTQOTXDKKGY-IGNZVWTISA-N 475.062 7.478 50 10 JKGE Cc1cc(Br)cc([C@H](Br)c2cc(Br)c(Cl)s2)c1 227844776 LLRLCZWXYMWYBT-NSHDSACASA-N 459.428 6.719 50 10 JKGE CCOc1ccc(Br)cc1[C@H](Cl)c1cc(Cl)ccc1I 233785404 GUMQHCCUKCSXHJ-OAHLLOKOSA-N 485.974 6.434 50 10 JKGE Clc1ccccc1C[C@@H](Cl)c1cc(Br)ccc1I 236030968 RPOKOZOLLDPGBQ-CYBMUJFWSA-N 455.948 6.230 50 10 JKGE Cc1cccc([C@H](Br)c2ccc(Cl)cc2Cl)c1I 300472279 NRGWFGPULPXOLU-CYBMUJFWSA-N 455.948 6.391 50 10 JKGE Cc1cc(C)c([C@@H](Cl)c2ccc(F)cc2I)c(C)c1Br 312288859 QXMCOHNQBLRFBC-INIZCTEOSA-N 467.547 6.446 50 10 JKGE Fc1cc2c(cc1Cl)nc(CCCl)n2CCCN(Cc1ccccc1)Cc1ccccc1 390462000 CURURTLEXNWNSF-UHFFFAOYSA-N 470.419 6.703 50 10 JKGE FC(F)(F)c1ccc2c(c1)nc(CCCl)n2CCCN(Cc1ccccc1)Cc1ccccc1 390465459 AGYXLQNERSFSQS-UHFFFAOYSA-N 485.981 6.929 50 10 JKGE COc1ccc([C@@H](Cl)c2sccc2I)c(OC)c1Br 394439859 QGIOSLVDSBRNRD-LLVKDONJSA-N 473.557 5.461 50 10 JKGE CC(C)(C)OC(=O)NCCN1CCCO[C@H](c2ccc(CO[Si](C)(C)C(C)(C)C)cc2)C1 616682228 WCTHIYFXDTVQSW-QFIPXVFZSA-N 464.723 5.497 50 10 JKGE Clc1cc([C@@H](Br)c2ccsc2Br)c(Cl)c(Cl)c1Cl 698586181 BXNWPWCNTDIYNP-ZETCQYMHSA-N 469.840 7.609 50 10 JKGE C[C@@](CBr)(NC(=O)c1scc(Br)c1Br)c1ccccc1 705420420 RYXWOHJPLKNRTG-AWEZNQCLSA-N 482.035 5.313 50 10 JKGE COc1ccc2nc([C@@H](C)Cl)n(CC3(N(Cc4ccccc4)Cc4ccccc4)COC3)c2n1 705598344 BFYZRHPSRQLXTR-HXUWFJFHSA-N 477.008 5.211 50 10 JKGE CCOc1ccc(C(=O)NN=Cc2ccc(OCc3ccc(Cl)cc3)c(Br)c2)cc1 1084258832 CRAXCCBATLWIJE-UHFFFAOYSA-N 487.781 5.844 50 10 JKGE N#C/C(=C/c1cc(Br)ccc1OCc1ccccc1F)C(=O)Nc1ccccc1 1084466780 ZXTYRCLYVAQWBG-PDGQHHTCSA-N 451.295 5.713 50 10 JKGE Cc1ccc(-n2nc(C)c(C=NNC(=O)COc3ccc(C(C)(C)c4ccccc4)cc3)c2C)c(C)c1 1084505390 LLFNQTCBLGRJEW-UHFFFAOYSA-N 494.639 5.961 50 10 JKGE COc1ccccc1/C(C#N)=C/c1ccc(OC(=O)CC(c2ccccc2)c2ccccc2)cc1 1615099254 ILCBUNMFWWVILO-LHLOQNFPSA-N 459.545 6.887 50 10 JKGE CCOc1cc(C=NNC(=O)CSc2nc3ccccc3s2)ccc1OCc1cccc(C)c1 1772760587 WZIKFMOYDCRVOQ-UHFFFAOYSA-N 491.638 5.825 50 10 JKGE COc1ccc(-c2nn(-c3ccccc3)c3c2[C@H](c2ccc(Cl)cc2)C(C#N)=C(N)O3)cc1 1865684300 WCBYSIRNHVKYFX-JOCHJYFZSA-N 454.917 5.419 50 10 JKGE CCCc1nn(CCC)c2c1[C@H](c1cc(Br)c(OC(C)C)c(OC)c1)C(C#N)=C(N)O2 1865697745 ARKYEMGJJZOLFT-LJQANCHMSA-N 489.414 5.022 50 10 JKGE COc1ccc(-c2nn(Cc3ccccc3Cl)c3c2[C@@H](c2ccc(F)cc2)C(C#N)=C(N)O3)cc1 1865708209 QPOIKTVOJZSAIF-QHCPKHFHSA-N 486.934 5.618 50 10 JKGE Cc1nc(-c2ccc(Cl)cc2)ccc1C(=O)NNC(=O)c1ccccc1SCC(C)C 1865755847 SYPMJXRLMHWALF-UHFFFAOYSA-N 453.995 5.533 50 10 JKGE C/C(=N/NC(=O)c1ccc(-c2ccc(Cl)cc2Cl)nc1C)c1ccc2c(c1)N(C)C(=O)[C@H](C)O2 1865763311 FRSRNNLXBDKNTA-GNNWTOOISA-N 497.382 5.262 50 10 JKGE N#CSc1ccc(NC(=O)[C@@H](NC(=O)[C@H](Cc2ccccn2)c2ccccc2)c2ccccc2)cc1 1866696290 NZJRLQNFXYPGCG-SXOMAYOGSA-N 492.604 5.477 50 10 JKGE C[C@H](CC(=O)N[C@H](Cc1ccc(F)cc1)C(=O)Nc1ccc(SC#N)cc1)c1ccc(Cl)cc1 1866709400 AWGPXXTVJYYYSU-MZNJEOGPSA-N 496.007 5.912 50 10 JKGE CCc1nc(Nc2ccc(SC#N)cc2)cc(N2CCC[C@@H](C(=O)CCCc3ccccc3)C2)n1 1868277967 OESDCMDRVWMQII-JOCHJYFZSA-N 485.657 6.164 50 10 JKGE N#CSc1ccc(Nc2cc(N3CCO[C@@H](c4cccnc4)C3)nc(-c3ccccc3)n2)cc1 1868365960 ZJOGXMJIALPYAM-HSZRJFAPSA-N 466.570 5.433 50 10 JKGE N#C/C(=C(/O)c1ccc(N2CCOCC2)c([N+](=O)[O-])c1)c1nc(-c2ccc3ccccc3c2)cs1 1872745444 NEFHQOHHVJFROS-DAFNUICNSA-N 484.537 5.658 50 10 JKGE COc1ccc(-c2csc(/C(C#N)=C(O)/C=C/c3ccc(C(C)C)cc3)n2)c(OC)c1OC 1872759669 WCRXKDVNNDLWIT-HQYWOYACSA-N 462.571 6.465 50 10 JKGE CCCCOc1ccc(/C=C(\C#N)c2nc(-c3ccc(OC)c(F)c3)cs2)cc1OCC 1872792200 KYDOHPGYGQVVLC-XDHOZWIPSA-N 452.551 6.600 50 10 JKGE CC(C)(C)N1C(=O)c2ccc(/C(O)=C(\C#N)c3nc(-c4cccc(Cl)c4)cs3)cc2C1=O 1872818247 TWFMEQHXYCPDPU-ZZEZOPTASA-N 463.946 5.808 50 10 JKGE Cl[C@H](c1cc(Br)ccc1OCc1ccccc1)c1cnsc1Br 1900454215 IWWIQTYDNUGTGD-MRXNPFEDSA-N 473.617 6.575 50 10 JKGE Brc1cc(C[C@H]2CCCC[C@H]2Br)ccc1I 1904328917 YLHPVGMAMHUICS-GHMZBOCLSA-N 457.975 5.550 50 10 JKGE CCC(CBr)(CBr)Cc1cc(I)ccc1Cl 1905043297 XQGSWPKFYNULQU-UHFFFAOYSA-N 480.409 5.673 50 10 JKGE Cc1cc(Br)c(S(=O)(=O)N(CCCCl)Cc2ccccc2)cc1Br 1914607671 CCNQVWNWEVTOKX-UHFFFAOYSA-N 495.664 5.340 50 10 JKGE Brc1cccc(Br)c1CN1[C@H]2CCC[C@H]1CC(Br)C2 1922761784 MUTXNSUOROKKRD-RYUDHWBXSA-N 452.028 5.492 50 10 JKGE Cc1c(Br)sc([C@H](Br)C2(C(F)(F)F)CC2)c1Br 1922920150 DABBQTZJJNXRMA-ZETCQYMHSA-N 456.947 6.360 50 10 JKGE Cc1c(Br)sc([C@H](Br)[C@@H](CC(C)C)C(C)C)c1Br 1922929001 FBWLOUYQIQRXAY-CMPLNLGQSA-N 461.101 7.336 50 10 JKGE COc1cccc([C@H](Br)c2sc(Br)c(C)c2Br)c1 1922945732 JORABESFISCCKP-NSHDSACASA-N 455.009 6.074 50 10 JKGE Cc1cccc([C@@H](Br)c2c(Br)sc(Br)c2Cl)c1C 1923050242 RVKSPYFNLRFARL-SNVBAGLBSA-N 473.455 7.028 50 10 JKGE Cc1c(Br)sc([C@@H](Br)[C@@H](C)C2CCCCC2)c1Br 1923905734 AZEZNTAAZALXBV-KWQFWETISA-N 459.085 7.234 50 10 JKGE Cl[C@H](c1cccs1)c1c(Br)sc(Br)c1Br 1924577200 YKHARGMIAIGOLU-SSDOTTSWSA-N 451.430 6.425 50 10 JKGE COc1sc([C@@H](Br)c2cc(C)c(Br)s2)cc1Br 1946722704 XDOVQAWOFVHPFV-VIFPVBQESA-N 461.038 6.136 50 10 JKGE CC(C)[C@@H](CCl)N(Cc1ccccc1)Cc1cc(Br)ccc1Br 1982457344 ICKHICFSYBXDIG-LJQANCHMSA-N 459.653 6.477 50 10 JKGE C[C@H](C[C@H](Cl)c1c(Br)sc(Br)c1Br)C1CC1 1983715146 FORRBWPMHRQYJP-VDTYLAMSSA-N 451.449 6.752 50 10 JKGE CC1(C)C[C@@H]([C@H](Br)c2c(Br)sc(Br)c2Cl)CO1 1997141998 KIAZSFIVJCYXRF-VDTYLAMSSA-N 467.448 6.178 50 10 JKGE CCc1nc([C@@H](Br)c2cc(Br)c(Cl)s2)c(Br)s1 2003567199 BQCCQBRLXRTXSI-ZETCQYMHSA-N 480.472 6.430 50 10 JKGE Cc1cc(Br)c(CBr)c(N2CCN(Cc3ccccc3)C[C@@H]2C)c1 2005452164 DTCLLBVLLPSRKQ-INIZCTEOSA-N 452.234 5.363 50 10 JKGE C[C@@H](C[C@@H]1CCCCN1C(=O)OC(C)(C)C)NCCSSCCNC(=O)OC(C)(C)C 2010827113 MFAGPMYPSYQLES-ROUUACIJSA-N 477.737 5.050 50 10 JKGE CC(C)(C)OC(=O)NCCSSCCN[C@H]1CCC(F)(F)C[C@@H]1OCc1ccccc1 2010827525 SDXKYHCVSJRRAR-OALUTQOASA-N 476.655 5.255 50 10 JKGE ClCc1ccc(Br)c(Cl)c1Oc1ccc(I)cc1 2036843751 ZNUOUBKAZAEKSL-UHFFFAOYSA-N 457.920 6.238 50 10 JKGE COc1sc([C@H](Br)c2c(Cl)cccc2Br)cc1Br 2050320337 SKKXHTGKBVIJKE-NSHDSACASA-N 475.427 6.419 50 10 JKGE Cc1cc(Br)c(CBr)c(N(C)[C@H]2C[C@@H](C)N(Cc3ccccc3)C2)c1 2053206890 VLFFUAZRXYIJAB-AEFFLSMTSA-N 466.261 5.752 50 10 JKGE CC(C)(C)OC(=O)N1[C@H]2CC[C@H]1CC1(C2)CC2(CCC[C@@H](CI)O2)C1 2065408650 FGYNPLLLYYDBHK-JYJNAYRXSA-N 461.384 5.071 50 10 JKGE FC(F)(C1CCCC1)[C@@H](Cl)c1c(Br)sc(Br)c1Br 2065539433 GTKHZLKZBFAHEH-QMMMGPOBSA-N 487.429 7.141 50 10 JKGE CCc1nn(-c2cccc(Br)c2CBr)c(CC)c1I 2093909504 MCKBJLJMDYCBQV-UHFFFAOYSA-N 498.000 5.259 50 10 JKGE FC1(CC(CBr)(CBr)c2ccc(Br)cc2)CCCC1 2109641356 FESBHBXBJXVBRF-UHFFFAOYSA-N 457.019 6.149 50 10 JKGE Cc1csc(CBr)c1S(=O)(=O)N(Cc1ccccc1)[C@@H](C)c1cccs1 2123231880 JUQIZPPJANMGFM-HNNXBMFYSA-N 470.479 5.965 50 10 JKGE CN(c1ccc(CBr)cc1Br)[C@@H]1C[C@@H]2C[C@@H](OCc3ccccc3)C[C@@H]21 2134012590 CQXXITDOJQNBMR-LMVRJCEZSA-N 479.256 6.164 50 10 JKGE Cc1cc(Br)c(C)c([C@H](Br)CC[C@H]2CCOC2)c1Br 2136369055 ZVKAYQHPOFBPEH-NWDGAFQWSA-N 455.028 6.081 50 10 JKGE Cc1cc(Br)c(C)c([C@@H](Br)[C@@H]2CC3(CC3)CO2)c1Br 2136376144 CBHOVHOXUNJGOO-FZMZJTMJSA-N 453.012 5.834 50 10 JKGE CC(C)(C)c1ccc([C@H](Br)c2cccc(Br)c2Br)cc1 2148750950 ODDDQPPQPGZIBU-HNNXBMFYSA-N 461.035 6.993 50 10 JKGE C[C@H]1CCO[C@@H]1CCC(CBr)(CBr)c1cccc(Br)c1 2157325656 GMTHHXNCNSDAOK-SWLSCSKDSA-N 469.055 5.682 50 10 JKGE COc1cc(F)c([C@H](Br)c2ccc(Br)c(F)c2)cc1Br 2202904772 WRIBNNMZBVTMSJ-CQSZACIVSA-N 470.933 5.983 50 10 JKGE Cc1sc([C@H](Br)c2sc(Br)c(C)c2C)cc1Br 2213748249 JMXSWPBFVKSYPZ-JTQLQIEISA-N 459.066 6.744 50 10 JKGE CCc1cc(Br)c([C@@H](Br)c2scc(Br)c2C)s1 2213775606 ULAAEXIEMFALEF-JTQLQIEISA-N 459.066 6.690 50 10 JKGE Cl[C@H](Cc1sc(Br)c(Br)c1Br)c1ccccn1 2216422029 TYRLXUNKDWURCU-ZCFIWIBFSA-N 460.416 5.953 50 10 JKGE Cc1sc([C@H](Br)c2sc(C)c(Br)c2C)c(Br)c1C 2221824794 LHUJKIJPOYMDGQ-LLVKDONJSA-N 473.093 7.053 50 10 JKGE Cc1cc(Br)c([C@H](Br)c2cc(Cl)sc2Cl)c(C)c1Cl 2224317853 RKCHXIFCGYUAFA-LLVKDONJSA-N 463.449 7.572 50 10 JKGE Cc1cc(Br)c([C@@H](Br)c2cccc(OCc3ccccc3)c2)c(C)c1Cl 2224320755 JQIGOZCONBRAMV-NRFANRHFSA-N 494.654 7.783 50 10 JKGE ClCc1nc2cc(Br)c(Br)cc2n1[C@@]12C[C@H]1CN(Cc1ccccc1)C2 2225695547 AUXMSRGTFYBMJD-VBKZILBWSA-N 495.646 5.531 50 10 JKGE Cc1cc(Cl)c(Br)cc1[C@H](Br)c1sc(C)c(Br)c1C 2226077960 KILLDVVPLXGXDP-ZDUSSCGKSA-N 487.482 7.336 50 10 JKGE CCN(C[C@](C)(CI)O[C@H]1CCC[C@@H](C(F)(F)F)C1)C(=O)OC(C)(C)C 2231384772 OZYSLEYWRHDLMR-KEYYUXOJSA-N 493.348 5.575 50 10 JKGE CCOCc1cc(Br)c([C@@H](Cl)c2ccc(Cl)c(Br)c2)s1 2233009259 MZRKUOFWJTTXBO-ZDUSSCGKSA-N 459.030 6.791 50 10 JKGE Fc1cc(F)c([C@@H](Cl)c2cc(Br)cc(Br)c2)c(F)c1Br 2236102037 GJDIFFUKXLILCJ-LBPRGKRZSA-N 493.342 6.720 50 10 JKGE Fc1ccc([C@@H](Br)Cc2ccc(Br)cc2Cl)c(F)c1Br 2237455411 MRRNVRCKTHOETF-JTQLQIEISA-N 489.379 6.822 50 10 JKGE Cl[C@@H](c1ccc(I)c(Br)c1)c1ccc([C@H]2CCOC2)s1 2240439095 OJZIOTPHKVQSDD-BONVTDFDSA-N 483.596 5.947 50 10 JKGE CCc1cc([C@H](Br)c2ccc(I)cc2)sc1Br 2248015270 OTDPJTZUDAZXPL-GFCCVEGCSA-N 486.010 6.162 50 10 JKGE CCc1cc([C@@H](Br)c2c(F)cccc2Br)sc1Br 2255988031 GZALSYOLLYNXCZ-GFCCVEGCSA-N 457.000 6.459 50 10 JKGE Cc1cc(Br)c([C@@H](Br)c2cc(Br)c(F)cc2C)s1 2258092050 QLMHGAVMGNRCJS-LBPRGKRZSA-N 457.000 6.513 50 10 JKGE FCC1([C@H](Br)c2c(F)cc(Br)c(F)c2Br)CCC1 2260065445 JYCKBKMOBCRUEM-LLVKDONJSA-N 450.918 6.066 50 10 JKGE Cc1cc(Cl)c(Cl)cc1[C@@H](Br)c1cc(Cl)ccc1I 2264360032 MLHWGFDXCUIJCE-CQSZACIVSA-N 490.393 7.044 50 10 JKGE Cc1cc(Br)c([C@@H](Br)c2cccc(OCc3ccccc3)c2)c(C)c1F 2264497708 ZPWDUBHIQAFLBN-NRFANRHFSA-N 478.199 7.268 50 10 JKGE Cc1cc(C(F)(F)F)sc1[C@H](Br)c1cc(Br)c(Br)s1 2277702659 ATRZYVPURQZZPR-MRVPVSSYSA-N 499.009 7.146 50 10 JKGE COCc1csc([C@H](Br)Cc2cc(Br)cc(Br)c2)c1 2277958714 KFWQHANBRGSING-CYBMUJFWSA-N 469.036 6.098 50 10 JKGE COc1cccc([C@H](Br)c2ccc(Br)c(C)c2Br)c1Cl 2283567267 ADWCYYMXEZBGAD-CQSZACIVSA-N 483.425 6.666 50 10 JKGE O=C(c1ccc(Cl)c(I)c1)N(CCBr)Cc1ccsc1 2283658564 XKTJWKPSRALCOI-UHFFFAOYSA-N 484.584 5.043 50 10 JKGE Fc1cc(Br)c(F)c(Br)c1[C@H](Cl)Cc1ccccc1Br 2288360619 YDCORQPFONXPOO-SNVBAGLBSA-N 489.379 6.775 50 10 JKGE COc1c(Br)cc(Cl)cc1[C@H](Br)c1c(C)nn(C)c1Br 2295283492 OICZOUFBNLLCDC-NSHDSACASA-N 487.417 5.400 50 10 JKGE CCn1c(SCC(=O)NN=CC=Cc2ccccc2[N+](=O)[O-])nnc1-c1ccc(C(C)(C)C)cc1 2296047999 AYSYCPRDRPZIIG-UHFFFAOYSA-N 492.605 5.078 50 10 JKGE CC(C)(C)c1ccc(Oc2nc3ccccn3c(=O)c2C=C(C#N)C(=O)NCc2ccccc2)cc1 2296541922 KLNWZQSWBJEARZ-UHFFFAOYSA-N 478.552 5.008 50 10 JKGE CCOC(=O)c1ccc(-c2ccc(C=C(C#N)C(=O)Nc3ccc(Br)cc3)o2)cc1 2296803772 JCSVARCLTBPWLK-UHFFFAOYSA-N 465.303 5.431 50 10 JKGE C[C@@H]([C@H](Br)c1cc(Br)ccc1OCc1ccccc1)[C@H]1CCCO1 2299499919 AVAFHIYGUSIJTE-DJKXOVBDSA-N 454.202 6.279 50 10 JKGE Brc1ccc(OCc2ccccc2)c([C@H](Br)[C@@H]2O[C@H]3CC[C@H]2C3)c1 2307420199 JPHCEDFMYOJCFP-JKTDJZPLSA-N 452.186 6.032 50 10 JKGE CCCCn1cc(C=C(C#N)C(=O)Nc2sc3c(c2C(=O)OCC)CCCC3)c2ccccc21 2313630803 UQBCFTBLCKZEGX-UHFFFAOYSA-N 475.614 6.104 50 10 JKGE CCOC(=O)c1c(NC(=O)C(C#N)=Cc2ccc3noc(-c4ccccc4)c3c2)sc(C)c1C 2314487795 KFIDGQNENVGSTD-UHFFFAOYSA-N 471.538 5.896 50 10 JKGE CCCCCCCCCOc1ccc(C=NNC(=O)Nc2ccc(Cl)cc2)cc1Cl 2323839623 LLESQIDTCISFKY-UHFFFAOYSA-N 450.410 7.278 50 10 JKGE CC[C@H](NC(=O)C(C#N)=CN1CCN(c2cccc(Cl)c2)CC1)c1ccc2c(c1)CCCC2 2325092637 CNZVGRACWVPPDY-SANMLTNESA-N 463.025 5.016 50 10 JKGE Brc1cc([C@@H](Br)[C@@H]2C[C@@H]3CCCCCC[C@@H]32)sc1Br 2329818072 CSICXFJVEWKVHB-DYNIEEOBSA-N 471.096 7.316 50 10 JKGE CCCCc1ccc(-c2csc(C(C#N)=C(O)[C@@H](CC(C)C)N3C(=O)c4ccccc4C3=O)n2)cc1 2331255993 NVJJSVMEBMPWGQ-RUZDIDTESA-N 499.636 6.656 50 10 JKGE CCOC(=O)c1ccc(N2C[C@H](C(O)=C(C#N)c3nc(-c4ccc(C)cc4)cs3)CC2=O)cc1 2331312696 PAVTXWZAYOEGEF-LJQANCHMSA-N 473.554 5.141 50 10 JKGE C=CCOc1ccccc1OCC(O)=C(C#N)c1nc(-c2cc(C(C)C)c(OC)cc2C)cs1 2331356158 VRRSIHWVDXCNMY-UHFFFAOYSA-N 476.598 6.687 50 10 JKGE Cl[C@@H](c1cc2c(s1)CCSC2)c1cc(Br)ccc1OCc1ccccc1 2336050618 LWTHNYZPRKNHKT-OAQYLSRUSA-N 465.865 7.207 50 10 JKGE COc1c(Br)cc(C)c([C@@H](Br)[C@@H](C)C2CCC2)c1Br 2339654589 TZAWPOBDJCRJJR-ZANVPECISA-N 455.028 6.401 50 10 JKGE Cc1ccc(OCc2ccc(I)c(Br)c2)c(CBr)c1 2349808792 PQUMEIUDACNDRY-UHFFFAOYSA-N 495.980 5.836 50 10 JKGE C[C@H]1CCC[C@@](CBr)(OCc2cc(I)ccc2Cl)C1 2352253672 NJJDCXXBHYNCOI-XHDPSFHLSA-N 457.577 5.805 50 10 JKGE Clc1ccc(I)cc1C[C@@]1(CBr)CCCCC12CC2 2352423113 DIGDMJABYWRLAZ-MRXNPFEDSA-N 453.589 6.223 50 10 JKGE Cc1cc(Cl)c([C@H](Br)c2ccc(Br)cc2Br)c(Cl)c1 2353075517 BOOROAUOJPEKKB-CQSZACIVSA-N 487.844 7.311 50 10 JKGE Fc1cc(Br)c(F)c(Br)c1[C@@H](Br)[C@@H]1C[C@H]1C1CCCC1 2359750090 VQWLMMWMLLIAPZ-RWEMILLDSA-N 472.993 6.752 50 10 JKGE Fc1c(Br)cc(Cl)c([C@H](Br)[C@]23CCCC[C@@H]2CC3)c1Br 2362225068 UHNOIEXRVKTCPA-YIUPMNOESA-N 489.448 7.411 50 10 JKGE CCC1CC(C[C@@H](Br)c2c(C)cc(Br)c(OC)c2Br)C1 2365217777 HJTFAZURUAATKV-HTAVTVPLSA-N 469.055 6.791 50 10 JKGE Cc1cc(Br)c([C@@H](Br)c2cccc(C(C)C)c2)cc1Br 2369692952 ULUTYXJBWGYNFD-KRWDZBQOSA-N 461.035 7.128 50 10 JKGE Cc1ccccc1C[C@@H]1S/C(=C(\C#N)C(=O)Nc2ccccc2)N(c2ccc(F)cc2)C1=O 1889078 DQIJHBIGHDDAGB-GPSDDGMOSA-N 457.530 5.199 50 10 JKGE 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)cc1 10013832 OWAPAICGDILWBG-NRFANRHFSA-N 456.590 5.904 50 10 JKGE Cc1nc(C)c(C(=O)N/N=C\c2ccc(C(C)C)cc2)cc1C(=O)N/N=C\c1ccc(C(C)C)cc1 33718926 AYAVTBVLNQPYAW-SXPCWOMBSA-N 483.616 5.473 50 10 JKGE COc1ccccc1NC(=O)/C(C#N)=C1/S[C@H](Cc2cccc(C)c2)C(=O)N1c1ccccc1 34257011 DNMCTGBRSGKUOP-RDKICWGTSA-N 469.566 5.069 50 10 JKGE CCOC(=O)c1c(NC(=O)/C(C#N)=C\c2ccc(-c3ccc(C(=O)O)cc3)o2)sc2c1CCCC2 35517383 IVJVZFUQUYAMIK-LGMDPLHJSA-N 490.537 5.307 50 10 JKGE Cc1c(C(=O)Oc2cccc3cccnc23)oc2c1/C(=N/NC(=O)c1ccccc1Cl)CCC2 40812740 PIZANBATWVDQLM-VUTHCHCSSA-N 473.916 5.479 50 10 JKGE Cc1cc(Cl)ccc1NC(=O)c1oc2c(c1C)/C(=N/NC(=O)COc1ccccc1)CCC2 40816042 HKXQGFDPMCENCJ-VFCFBJKWSA-N 465.937 5.038 50 10 JKGE CCOc1ccc2ccccc2c1/C=N/NC(=O)COc1ccc(C(C)(C)C)cc1Br 40950854 AGWUMUGRIRVADS-JFLMPSFJSA-N 483.406 5.828 50 10 JKGE COc1cc(N/C=C(\C#N)c2nc(-c3ccc(CC(C)C)cc3)cs2)c(OC)cc1Cl 100331401 BHJBUEAFZLEZAQ-QGOAFFKASA-N 453.995 6.656 50 10 JKGE CCc1ccc(N2C(=O)[C@H](Cc3ccc(C)cc3)S/C2=C(/C#N)C(=O)N[C@H](C)c2ccccc2)cc1 101242858 VOJUBHIPEBONLQ-UVGSMNACSA-N 495.648 5.861 50 10 JKGE COc1ccc([N+](=O)[O-])cc1NC(=O)/C(C#N)=C\c1ccc(-c2ccc(Br)cc2)o1 103485602 LYKIUQFINJEEMU-UVTDQMKNSA-N 468.263 5.172 50 10 JKGE CCOC(=O)c1c(N/C=C(/C#N)c2nc(-c3ccc(OC(C)=O)cc3)cs2)sc2c1CCC2 105066837 HDRLHXPEZGCPJG-VBKFSLOCSA-N 479.583 5.439 50 10 JKGE COc1ccc([C@H](Br)c2ccccc2I)c(Br)c1 109877118 ADJPSOBWNUSIEF-AWEZNQCLSA-N 481.953 5.547 50 10 JKGE COc1cc(C)c(Br)cc1[C@@H](Br)c1cc(Br)ccc1Cl 115866856 WYGSEUPFRHUIEH-HNNXBMFYSA-N 483.425 6.666 50 10 JKGE CCc1ccc(CC(CBr)(CBr)c2ccc(Br)cc2)cc1 118878460 SABRUBHDFXEORQ-UHFFFAOYSA-N 475.062 6.282 50 10 JKGE COc1cc(/C=C(/C#N)C(=O)Nc2sc3c(c2C#N)CCCC3)ccc1OCc1ccccc1 209658150 NAOUFCYCXWDIBN-MOSHPQCFSA-N 469.566 5.632 50 10 JKGE N#C/C(=C/c1cn(-c2ccccc2)nc1-c1cccc2ccccc12)c1nc(-c2ccco2)cs1 214015279 DNUIYEBIGCCYJF-PGMHBOJBSA-N 470.557 7.473 50 10 JKGE N#C/C(=C/Nc1ccc(I)cc1)C(=O)Nc1ccc(Oc2ccccc2)cc1 217211862 WVGHGXKYNKGZQX-NXVVXOECSA-N 481.293 5.542 50 10 JKGE CCCOc1ccc([C@H](Br)c2cc(Br)ccc2Cl)cc1Br 229005435 SQHAUHRSOPEAHZ-INIZCTEOSA-N 497.452 7.138 50 10 JKGE Cc1ccc(C[C@@H](Br)c2cc(I)ccc2Br)cc1 235864272 CJSLZPBPHCIMQN-OAHLLOKOSA-N 479.981 6.041 50 10 JKGE CC[C@H]1CCc2sc(C(=O)NN=Cc3ccc(Oc4ccc(F)cc4)c([N+](=O)[O-])c3)cc2C1 254392568 RITHCOJJGZURNU-HNNXBMFYSA-N 467.522 5.867 50 10 JKGE Cc1ccc(-c2nnc(SCC(=O)NN=Cc3ccc(N(C)C)cc3)n2C2CCCCC2)cc1 254788309 MUCURBYSJFMOEX-UHFFFAOYSA-N 476.650 5.067 50 10 JKGE BrCc1c(I)cc2sccc2c1I 307117770 VJEZESFOVKZOPG-UHFFFAOYSA-N 478.918 5.005 50 10 JKGE Clc1ccc(Br)c(C[C@H](CBr)Cc2cccc(Br)c2)c1 312855176 QZJBDFLZGNUAPT-GFCCVEGCSA-N 481.453 6.661 50 10 JKGE FC(F)(F)c1csc([C@@H](Cl)c2ccccc2OCc2ccccc2)c1Br 382195344 KRVCFIRAYICHRT-KRWDZBQOSA-N 461.730 7.437 50 10 JKGE C[C@@H](Cl)c1nc2cc(I)ccc2n1C[C@H]1CCN(Cc2ccccc2)C1 388337611 VMHGWBSJJQIVGS-WBVHZDCISA-N 479.793 5.463 50 10 JKGE ClCc1nc2cc(Br)ccc2n1CCCN(Cc1ccccc1)Cc1ccccc1 390502178 UOFFJJCWRJPBDS-UHFFFAOYSA-N 482.853 6.630 50 10 JKGE Clc1ccc(Br)c([C@@H](Cl)c2cc(Cl)c(Cl)c(Cl)c2Cl)c1 404834075 IJARCAVJIFOBRM-SNVBAGLBSA-N 453.805 8.044 50 10 JKGE BrCC(CBr)(C[C@H]1CCCOC1)c1ccccc1Br 690356303 VVQZUPUZUULBAC-GFCCVEGCSA-N 455.028 5.293 50 10 JKGE Clc1cc([C@H](Br)c2ccsc2Br)sc1Br 698673213 UITKRIOGGGXZDM-SSDOTTSWSA-N 451.430 6.472 50 10 JKGE C[C@@]12CN(Cc3ccccc3)C[C@H]1CN(c1ccc(CBr)c(Br)c1)C2 702089630 PRIDEZCAHJKABH-RXVVDRJESA-N 464.245 5.302 50 10 JKGE Brc1csc([C@H](Br)c2csc3ccccc23)c1Br 705438262 KXMLTQLHYQDFKJ-LLVKDONJSA-N 467.045 6.972 50 10 JKGE C[C@@H](COCc1ccccc1)CC(CBr)(CBr)c1ccc(F)cc1 719445389 YOPRAIBCUZFIFO-MRXNPFEDSA-N 458.209 6.096 50 10 JKGE CCOc1cc(/C=C(\C#N)C(=O)Nc2cccc(Cl)c2Cl)ccc1OCc1cccc(F)c1 1083956807 PLURASZLWFWVDZ-WOJGMQOQSA-N 485.342 6.656 50 10 JKGE O=C(NN=Cc1cc(Cl)c(OCc2ccc3c(c2)OCO3)c(Cl)c1)c1cc2ccccc2o1 1083985336 PCODTFOSYVEVGX-UHFFFAOYSA-N 483.307 5.811 50 10 JKGE O=C(CCCOc1ccc(Cl)cc1Cl)NN=C(/C=C\c1ccccc1)c1ccccc1 1084172876 ULKITGCBQGVFGE-UAHFTNOQSA-N 453.369 6.386 50 10 JKGE CC(C)(C)c1ccc(C(=O)Nc2ccc(C(=O)NN=Cc3cc(Cl)cc(Cl)c3O)cc2)cc1 1084303889 QDUQKTSIWCALCA-UHFFFAOYSA-N 484.383 6.013 50 10 JKGE Cc1ccc(NC(=O)C(=O)NN=Cc2ccc(OCc3c(Cl)cccc3Cl)cc2)cc1Cl 1084487958 DTFHVRFTNZSREO-UHFFFAOYSA-N 490.774 5.623 50 10 JKGE CCOc1cc(C=NNC(=O)c2ccc(Br)cc2)ccc1OCc1ccc([N+](=O)[O-])cc1 1084525098 PDFFFQBMYNIWSN-UHFFFAOYSA-N 498.333 5.099 50 10 JKGE Cc1ccccc1-n1c(S[C@@H](C)C(=O)C(C#N)=C2Nc3ccccc3N2)nc2ccccc2c1=O 1087641285 DRQBNZSPQTYZRE-KRWDZBQOSA-N 479.565 5.017 50 10 JKGE CC(C)c1ccc([C@@H]2C(C#N)=C(N)Oc3c2c(C(F)(F)F)nn3Cc2ccccc2F)cc1 1865684905 BMXRCMHAVUQLMX-LJQANCHMSA-N 456.443 5.431 50 10 JKGE Cc1ccc(-n2nc(-c3ccccc3)c3c2OC(N)=C(C#N)[C@@H]3c2ccc(Cl)c(Cl)c2)cc1 1865685494 JSSRTDSGEPVNDX-QFIPXVFZSA-N 473.363 6.373 50 10 JKGE N#CC1=C(N)Oc2c(c(C(F)(F)F)nn2-c2cccc(Cl)c2)[C@@H]1c1cc(Cl)ccc1O 1865688863 CUFXESKRFVGYJZ-OAHLLOKOSA-N 467.234 5.122 50 10 JKGE CCCOc1cccc([C@H]2C(C#N)=C(N)Oc3c2c(-c2ccccc2)nn3-c2ccc(OC)cc2)c1 1865692986 HAMMJDYTQNZMSL-VWLOTQADSA-N 478.552 5.555 50 10 JKGE CCc1nn(-c2ccc(Cl)cc2)c2c1[C@H](c1ccc(OCc3ccc(C)cc3)cc1)C(C#N)=C(N)O2 1865694086 UFVDJHVNXXEYSJ-AREMUKBSSA-N 496.998 6.194 50 10 JKGE COc1ccc(-c2nn(Cc3ccccc3Cl)c3c2[C@@H](c2ccco2)C(C#N)=C(N)O3)cc1 1865697735 AIVVBAQSORLQCD-OAQYLSRUSA-N 458.905 5.072 50 10 JKGE N#CC1=C(N)Oc2c(c(C(F)(F)F)nn2-c2cccc(Cl)c2)[C@H]1c1c[nH]c2ccccc12 1865700563 XMDUJDDQTXVEGS-QGZVFWFLSA-N 455.827 5.244 50 10 JKGE CCc1nn(CC(C)C)c2c1[C@H](c1cccc(OC)c1OCc1cccc(C)c1)C(C#N)=C(N)O2 1865705765 FFHQAIXJJCENAB-XMMPIXPASA-N 472.589 5.216 50 10 JKGE COC(=O)c1ccc([C@H]2C(C#N)=C(N)Oc3c2c(-c2ccccc2)nn3-c2cccc(Cl)c2)cc1 1865709519 XBCPEALYMKOFKB-QFIPXVFZSA-N 482.927 5.197 50 10 JKGE CCCc1nn(Cc2cccc(Cl)c2)c2c1[C@@H](c1ccc(C(F)(F)F)cc1)C(C#N)=C(N)O2 1865710720 GESTZOBABBASEL-FQEVSTJZSA-N 472.898 5.774 50 10 JKGE N#CC1=C(N)Oc2c(c(-c3ccccc3)nn2Cc2cccc(F)c2)[C@H]1c1ccc(C(F)(F)F)cc1 1865711321 VOQMOPSXFVSLQQ-QFIPXVFZSA-N 490.460 5.974 50 10 JKGE COc1ccc(-c2nn(-c3cccc(Cl)c3)c3c2[C@@H](c2cccc(F)c2)C(C#N)=C(N)O3)cc1 1865711447 YTCZAUWKCHPREG-QFIPXVFZSA-N 472.907 5.559 50 10 JKGE CC[C@](C)(NC(=O)C[C@@H](c1ccc(Cl)cc1)C(C)C)C(=O)Nc1ccc(SC#N)cc1 1866756229 POOICHLTUCJGBG-QPPBQGQZSA-N 458.027 5.966 50 10 JKGE N#C/C(=C(O)\C=C\c1ccc(OCc2ccccc2)cc1)c1nc(-c2ccc3c(c2)OCO3)cs1 1872752742 QHPRGHAVTCUNTE-FAAUREJISA-N 480.545 6.624 50 10 JKGE COc1ccc(-c2csc(/C(C#N)=C(\O)COc3cc(Cl)ccc3Cl)n2)c(OC)c1OC 1872759294 JUIKLHWIVYCREZ-VKAVYKQESA-N 493.368 6.014 50 10 JKGE CCCCc1ccc(-c2csc(/C(C#N)=C/c3ccc(OCc4ccccc4)c(OC)c3)n2)cc1 1872781963 ZJTQYJMFVGYGFX-YZSQISJMSA-N 480.633 7.804 50 10 JKGE CCOc1cc(/C=C(\C#N)c2nc(-c3ccccc3OC)cs2)ccc1OCc1ccc(C)cc1 1872784700 WNCKEWXBXYUNMO-HZHRSRAPSA-N 482.605 7.169 50 10 JKGE CCCCOc1c(Br)cc(/C=C(\C#N)c2nc(-c3ccc(F)cc3)cs2)cc1OC 1872791402 HSAJAMZZXMNEGS-LICLKQGHSA-N 487.394 6.963 50 10 JKGE CCCn1cc(S(=O)(=O)N(Cc2ccccc2)Cc2ccccc2)cc1CBr 1885382672 JEANVJALLOHNJN-UHFFFAOYSA-N 461.425 5.184 50 10 JKGE Fc1cc(Br)c2nc(CCl)n(C[C@@H]3CCCN(Cc4ccccc4)C3)c2c1 1912668437 GONJUOWFHXEUQD-MRXNPFEDSA-N 450.783 5.589 50 10 JKGE Cc1ccc(C(=O)N(Cc2ccccc2)[C@@H](CBr)C2CC2)cc1Br 1915315576 XGLCRYGJBGUDLX-IBGZPJMESA-N 451.202 5.573 50 10 JKGE O=C(c1cc(Br)sc1Br)N1CC[C@@]2(CCC[C@H]2Br)C1 1918915989 KUCCIMISUGFDQY-RNCFNFMXSA-N 472.040 5.053 50 10 JKGE Cc1nsc(Br)c1[C@@H](Cl)c1sc(Br)c(C)c1Br 1922928746 CANOAURVUROCDO-SSDOTTSWSA-N 480.472 6.437 50 10 JKGE Fc1ccc(Br)cc1[C@H](Cl)c1c(Br)sc(Br)c1Cl 1923040867 XKPUYAHOUGTNGT-QMMMGPOBSA-N 497.836 7.156 50 10 JKGE Cl[C@H](c1c(Br)sc(Br)c1Br)[C@H]1COc2ccccc21 1924596862 UYJSZBFMYKZKAI-CPCISQLKSA-N 487.438 6.492 50 10 JKGE Cl[C@H](c1c(Br)sc(Br)c1Br)C12CCC(CC1)C2 1924611681 DSBIARFSMZFRNG-ATZMEGNHSA-N 463.460 6.896 50 10 JKGE Fc1cccc(Br)c1[C@@H](Br)c1sc(Cl)cc1Br 1948828879 NYULPUIILHGBTN-SNVBAGLBSA-N 463.391 6.550 50 10 JKGE FC(F)(F)c1sccc1[C@@H](Br)c1cc(Br)sc1Br 2039894748 PTOHSMSJCRDHPN-SSDOTTSWSA-N 484.982 6.838 50 10 JKGE Cc1sccc1COc1c(Br)cc(Br)cc1CBr 2039921016 JUAQTIKMYSDTDK-UHFFFAOYSA-N 455.009 6.055 50 10 JKGE COc1sc([C@H](Br)c2nn(C)c(Cl)c2Br)cc1Br 2048154784 FTBITOPSRGJXNN-LURJTMIESA-N 479.419 5.153 50 10 JKGE CC(C)(C)[Si](OCCCSc1ccc(Br)cc1)(c1ccccc1)c1ccccc1 2049392389 ZQTMSTOZZKSVJQ-UHFFFAOYSA-N 485.563 6.508 50 10 JKGE Cc1c(Br)sc([C@H](Br)[C@H]2CCCCC23CC3)c1Br 2053369687 APHMJSRUEATMAK-MWLCHTKSSA-N 457.069 6.988 50 10 JKGE Brc1cc([C@H](Br)c2csc3c(Br)cccc23)ns1 2056492241 XGDBMDLZFGDDIB-LLVKDONJSA-N 468.033 6.367 50 10 JKGE COc1cc(Cl)c([C@H](Cl)c2csc(Br)c2Br)cc1Cl 2093947738 FDTQKSZPZLZDPU-NSHDSACASA-N 465.421 6.917 50 10 JKGE Brc1csc([C@@H](Br)c2cc3c(cc2Br)OCCO3)c1 2115928052 YZDUCTRUDIMESM-ZDUSSCGKSA-N 468.992 5.529 50 10 JKGE CO[C@@H]1C[C@H]([C@H](Br)c2sc(Br)c(C)c2Br)C12CCC2 2133847716 RFCOAJHGWDICLO-KKZNHRDASA-N 473.068 6.223 50 10 JKGE CN(c1cccc(Br)c1CBr)[C@@H]1C[C@@H]2C[C@H](OCc3ccccc3)C[C@H]21 2134020945 YUUUFYJHGMTZRM-VDVULAQNSA-N 479.256 6.164 50 10 JKGE Brc1cc(Br)c([C@H](Br)[C@@H]2C[C@H]2C2CCCCCC2)s1 2135277286 GBIVTQKOYRHIMG-MISXGVKJSA-N 471.096 7.316 50 10 JKGE Cc1cc([C@@H](Cl)c2c(C)c(Br)cc(C)c2Br)sc1Br 2136371743 QBVUDNIYPFJLFU-CYBMUJFWSA-N 487.482 7.289 50 10 JKGE C[C@@](CI)(OCc1cscc1F)c1ccccc1Br 2136758853 AGWUFSKXFZXLQM-AWEZNQCLSA-N 455.130 5.517 50 10 JKGE CN(C[C@@]1(Br)CC1(F)F)c1c(CBr)ccc(Br)c1Cl 2137812812 AWFRMPGMOMDBKQ-NSHDSACASA-N 482.388 5.606 50 10 JKGE Fc1ccc(C[C@@H](CBr)Cc2c(Br)cccc2Br)cc1 2150494202 GQSARQAJBJTMMJ-GFCCVEGCSA-N 464.998 6.147 50 10 JKGE O=S(=O)(c1cc(CCl)ccc1Br)N(Cc1ccccc1)CC1CCCCC1 2152157141 YLVRUWVEBZDLFN-UHFFFAOYSA-N 470.860 5.959 50 10 JKGE Cc1csc([C@H](Br)c2cc(Br)cc3c2O[C@H](C)C3)c1Br 2157029994 SUHCCUZXNHCVSE-AMIZOPFISA-N 481.047 6.389 50 10 JKGE Clc1ccc(I)c(CN2CCC[C@@H]3CC[C@@H](Br)C[C@H]32)c1 2167009933 IXEGJSGWZFXMKI-AXAPSJFSSA-N 468.604 5.473 50 10 JKGE CN(C[C@H](Br)C1CCCCC1)C(=O)c1cc(Br)c(Br)s1 2167654043 SQTNLHCNVJKOFU-NSHDSACASA-N 488.083 5.689 50 10 JKGE C[C@@H]1CN(C(=O)c2cc(Br)cc(Br)c2)CC[C@@H]1CCBr 2172472999 JHRCJIFVSRPXGZ-MNOVXSKESA-N 468.027 5.095 50 10 JKGE COc1cc(Cl)c([C@@H](Br)Cc2ccc(Br)cc2)cc1Br 2202354490 XSBPNMKSEUNDRA-LBPRGKRZSA-N 483.425 6.552 50 10 JKGE COc1cc(F)c([C@H](Br)c2cc(F)ccc2Br)cc1Br 2202903542 GGBOLRYEJGMJDV-CQSZACIVSA-N 470.933 5.983 50 10 JKGE Cc1c(Br)ccc([C@@H](Br)[C@@H]2COc3ccccc32)c1Br 2203685047 IYUFADAKBIFTFH-MLGOLLRUSA-N 460.991 6.132 50 10 JKGE Br[C@@H](Cc1ccccc1I)c1ccc(-c2cccs2)s1 2205865192 JROOQSCAMHPASB-LBPRGKRZSA-N 475.214 6.760 50 10 JKGE Cc1c(Br)ccc([C@H](Br)[C@@H]2C[C@H]3COC[C@H](C3)C2)c1Br 2206755164 SIBMEXLLKZLPBE-KZTGVZKYSA-N 467.039 6.019 50 10 JKGE CC1(C)C[C@]1(Cl)[C@H](Cl)c1c(Br)sc(Br)c1Br 2211991332 WQLKIRKOAXZZJM-LDWIPMOCSA-N 471.867 6.723 50 10 JKGE Cc1sc(Br)c(C)c1[C@@H](Br)c1cc(Cl)ccc1Br 2218801311 TVDUCMFFFHDZSD-LBPRGKRZSA-N 473.455 7.028 50 10 JKGE Cc1cc(Br)c([C@@H](Cl)c2occc2Br)c(C)c1Br 2220142738 BDGOTBLGWKEWOL-GFCCVEGCSA-N 457.387 6.512 50 10 JKGE CC1([C@H](Br)c2cc(Br)c(Br)cc2F)CCCCCC1 2225616177 CZNBUQGZVRHWFR-CQSZACIVSA-N 457.019 7.147 50 10 JKGE Cc1cc(Br)c([C@H](Br)CC(C)(C)C2CC2)c(C)c1Br 2227359579 JLHDCWYMGYMHTQ-CYBMUJFWSA-N 453.056 7.091 50 10 JKGE COc1cc(Br)c([C@@H](Cl)c2cc(Br)c(Br)s2)cc1C 2227731919 PEHAKPTVHSYTRN-GFCCVEGCSA-N 489.454 6.681 50 10 JKGE Cc1cc(Br)c([C@@H](Br)[C@@]23CC[C@@H](C2)[C@H](C)O3)c(C)c1Br 2235612222 NAFKORIXUJUOJU-DPDCMNJDSA-N 467.039 6.222 50 10 JKGE CCc1cc([C@@H](Br)c2ccc(C)c(Br)c2)sc1Br 2255989678 WFULOGWUXQZEIR-ZDUSSCGKSA-N 453.037 6.628 50 10 JKGE Fc1cc(Cl)c([C@H](Cl)c2cc(Cl)c(Br)s2)cc1Br 2258103324 FTMMTSRTHYIJBS-JTQLQIEISA-N 453.385 7.047 50 10 JKGE Cl[C@H](Cc1cc(Br)cc(Br)c1)c1ccc(Br)cc1 2263451588 YYYJMXVQBAEKAJ-CQSZACIVSA-N 453.399 6.497 50 10 JKGE Fc1cc(Br)c(Br)cc1[C@H](Br)[C@@H]1COC2(CCC2)C1 2269383235 SELKEDOBOJNWHO-ISVAXAHUSA-N 456.975 5.746 50 10 JKGE ClCc1nc2cnc(C3CCC3)nc2n1CCCN(Cc1ccccc1)Cc1ccccc1 2271117714 XJMYBFHVFYUZDP-UHFFFAOYSA-N 460.025 5.925 50 10 JKGE C[C@@H]1CCC[C@@H](CCOc2c(Br)cc(CBr)cc2Br)C1 2279845257 LRCFACBCFWDJDJ-NEPJUHHUSA-N 469.055 6.702 50 10 JKGE Fc1cccc(I)c1[C@H](Cl)c1csc2c(Br)cccc12 2282785933 ZEVIFBJQGRGSAV-CQSZACIVSA-N 481.555 6.736 50 10 JKGE Cc1ccc(NC(=O)C(C#N)=Cc2cn(Cc3ccc(Cl)cc3Cl)c3ccccc23)cc1C 2293453478 UTCJORFSWVNLHK-UHFFFAOYSA-N 474.391 7.159 50 10 JKGE CCCc1ccc([C@H](Br)Cc2cc(Br)cc(Br)c2)cc1 2295274527 LOBWZWCNQCBLOT-QGZVFWFLSA-N 461.035 6.843 50 10 JKGE Brc1cc(Br)cc(C[C@H](Br)c2cc3ccccc3s2)c1 2295336861 BRVRXQIULDWGKT-AWEZNQCLSA-N 475.043 7.105 50 10 JKGE COc1cc(OC)c([C@@H](Br)c2cc(Br)c(C)s2)cc1Br 2295421706 QWQOMQVZRNXPIN-CQSZACIVSA-N 485.035 6.083 50 10 JKGE COCC1([C@@H](Br)c2ccc(Br)c(C)c2Br)CC(F)(F)C1 2295607913 WLSVJFSRZDMNJI-LBPRGKRZSA-N 476.981 6.018 50 10 JKGE N#CC1=C(N)OC2=C(CN(Cc3ccccc3)CC2=Cc2ccc(F)cc2)[C@H]1c1ccc(F)cc1 2296750486 QKHMTTXGMAZSLK-MHZLTWQESA-N 467.519 5.626 50 10 JKGE N#CC(=Cc1ccc(Cl)cc1Cl)C(=O)Nc1nc2c(s1)CN(Cc1ccccc1)CC2 2296833261 RDAXGIRAUQZYHU-UHFFFAOYSA-N 469.397 5.554 50 10 JKGE CCCC[C@@H](CC)[C@H](Br)c1ccc(OCc2ccccc2)cc1Br 2299497752 RZMLZJQKAXFXNP-UTKZUKDTSA-N 454.246 7.681 50 10 JKGE F[C@@H]1CCC[C@@H]([C@@H](Br)c2cc(Br)ccc2OCc2ccccc2)C1 2299504620 OSCLKYSTOPDVKZ-WRWLIDTKSA-N 456.193 6.992 50 10 JKGE BrCc1cc(OCc2sccc2I)ccc1Br 2301070876 HORAICFNGXQVBG-UHFFFAOYSA-N 487.982 5.589 50 10 JKGE CC(C)(C)OC(=O)N1C[C@@H](I)[C@H](OCc2cc(F)c(Cl)cc2Cl)C1 2306242653 BEBSOVJNVRHOSU-ZIAGYGMSSA-N 490.140 5.072 50 10 JKGE C=CCc1cc(C=C(C#N)C(=O)Nc2ccc(C)cc2)cc(OCC)c1OCc1ccc(Cl)cc1 2313567445 HMXRMMBEBQGUQS-UHFFFAOYSA-N 486.999 6.900 50 10 JKGE C=CCc1cc(C=C(C#N)C(=O)Nc2cccc(Cl)c2Cl)ccc1OCc1ccccc1Cl 2313571438 WJYUBBILTCQETB-UHFFFAOYSA-N 497.809 7.500 50 10 JKGE COc1cc(C=C(C#N)C(=O)Nc2ccccc2C)ccc1OCc1ccc(Cl)cc1Cl 2313667476 NPCTXVDBMYPZDC-UHFFFAOYSA-N 467.352 6.435 50 10 JKGE COc1cc(C=C(C#N)C(=O)Nc2cc([N+](=O)[O-])ccc2Cl)ccc1OCc1ccccc1 2313670813 XWBZYZXSUTZGQK-UHFFFAOYSA-N 463.877 5.381 50 10 JKGE C[C@@H](NC(=O)C(C#N)=Cc1ccc(OCc2ccc(Cl)c(Cl)c2)cc1)c1ccccc1 2313676874 SGDRPIIQSFHMRU-QGZVFWFLSA-N 451.353 6.357 50 10 JKGE N#CC(=Cc1cn(Cc2ccc(Cl)cc2)c2ccccc12)C(=O)Nc1cccc([N+](=O)[O-])c1 2313724556 IBKAKHWEUZRNBQ-UHFFFAOYSA-N 456.889 5.797 50 10 JKGE CC1=C(C#N)C(=O)N(C(C)C)C(=O)C1=Cc1cn(-c2ccccc2)nc1-c1cc(C)c2c(c1)C[C@H](C)O2 2314609947 ANFWCEYJEVPWOE-IBGZPJMESA-N 492.579 5.172 50 10 JKGE CCOc1ccc([C@H](Br)c2cnsc2Br)c(Br)c1 2315625716 QPWQTXALWFZGJZ-NSHDSACASA-N 455.997 5.551 50 10 JKGE COc1ccc(Cc2nc3ccc(C(=O)NN=Cc4ccc(C(C)C)cc4)cc3[nH]2)cc1OC 2323720526 GHWQHLGCUXSXNF-UHFFFAOYSA-N 456.546 5.058 50 10 JKGE COc1cc(C=C(C#N)c2nc3ccccc3s2)cc([N+](=O)[O-])c1OCc1cccc(C)c1 2323831720 XTBGJBIUORYRGL-UHFFFAOYSA-N 457.511 6.165 50 10 JKGE CCOc1cc(C=C(C#N)c2nc(O)c3ccc(C(=O)OC)cc3n2)ccc1OCc1ccc(C)cc1 2331046372 LCROXJUJFSXKAM-UHFFFAOYSA-N 495.535 5.472 50 10 JKGE CCCCCCCCCOc1ccc(C=C(C#N)c2ccc(C(=O)OC(C)C)o2)cc1OC 2331049755 PMKQPDSPVFNEOG-UHFFFAOYSA-N 453.579 7.047 50 10 JKGE CCCCc1ccc(N2C[C@H](C(O)=C(C#N)c3nc(-c4cccc(OC)c4)cs3)CC2=O)cc1 2331246788 YCYQKIZRNJDHIQ-HXUWFJFHSA-N 473.598 6.007 50 10 JKGE COc1ccc(CC(O)=C(C#N)c2nc(-c3cccc(Br)c3)cs2)cc1OC 2331276564 OSFKQYQQBQGVQI-UHFFFAOYSA-N 457.349 5.625 50 10 JKGE CC(C)c1ccc(-c2csc(C(C#N)=C(O)c3ccc4c(c3)C(=O)N(C3CCCCC3)C4=O)n2)cc1 2331339927 GFCPTLVJWUPSPS-UHFFFAOYSA-N 497.620 6.812 50 10 JKGE N#CC(=C(O)Cc1cc(Cl)ccc1Cl)c1nc(-c2ccc(Oc3ccccc3)cc2)cs1 2331358641 XPDKXYOLASLFFH-UHFFFAOYSA-N 479.388 7.945 50 10 JKGE CCc1cccc(CC)c1N1C[C@H](C(O)=C(C#N)c2nc(-c3c(C)c(C)cc(C)c3C)cs2)CC1=O 2331364409 BXEYCZJCDGHDOS-HSZRJFAPSA-N 499.680 7.014 50 10 JKGE CCc1cccc(CC)c1N1C[C@H](C(O)=C(C#N)c2nc(-c3c(C)cc(C)cc3C)cs2)CC1=O 2331393965 NUQGKXWQISCYOL-JOCHJYFZSA-N 485.653 6.706 50 10 JKGE CCCCCCCOc1ccc(-c2csc(C(C#N)=Cc3ccc(OC)c(OC)c3)n2)cc1 2331460630 NFRHCPYJDQKGKY-UHFFFAOYSA-N 462.615 7.241 50 10 JKGE FC1(F)[C@@H]([C@@H](Br)c2cc(Br)ccc2OCc2ccccc2)C12CCCC2 2336053109 GZMZGBRANXGYQY-OALUTQOASA-N 486.194 7.290 50 10 JKGE COC[C@@H]1CC[C@@H](Cc2ccc(Cl)c(I)c2)C[C@H]1Br 2337274057 FOPAJBWSESCFIT-WCFLWFBJSA-N 457.577 5.313 50 10 JKGE CCCCC1CCC([C@H](Br)c2sc(Cl)cc2I)CC1 2338774003 SXRQDOUVVREJHY-MGULZYLOSA-N 475.661 7.439 50 10 JKGE Cc1cc(Br)c(F)c(Br)c1[C@@H](Br)c1cnc(Cl)n1C 2339680162 TZJHDVROMRTVJD-VIFPVBQESA-N 475.381 5.530 50 10 JKGE CC(C)[C@@H](Br)C(C)(C)CNC(=O)c1cc(Br)c(Br)s1 2340448808 JNHAUVGQPWTRGB-SNVBAGLBSA-N 476.072 5.449 50 10 JKGE BrCC1(Cc2ccc(I)c(Br)c2)CC2(CCCC2)C1 2349866287 ZQAGOIZOHKEROB-UHFFFAOYSA-N 498.040 6.332 50 10 JKGE ClCc1ccc(OCc2cc(I)ccc2Cl)c(Br)c1 2352422244 ZCOZZCFGLISRPA-UHFFFAOYSA-N 471.947 6.025 50 10 JKGE Fc1ccccc1[C@H](Br)CCc1cc(I)ccc1Cl 2352432941 ZVVGKMXIXCBGCR-CYBMUJFWSA-N 453.520 6.153 50 10 JKGE O=C(c1csc(Br)c1Br)N1CC[C@@H](Cl)C[C@H]1C(F)(F)F 2361444168 KDVKUKWXGUKBKN-VDTYLAMSSA-N 455.521 5.047 50 10 JKGE COc1c(Br)cc(C)c([C@@H](Br)C2(C(F)(F)F)CC2)c1Br 2365191974 STAQTMXJMBQSOT-LLVKDONJSA-N 480.944 6.307 50 10 JKGE COc1ccc([C@H](Br)c2c(C)cc(Br)c(F)c2Br)cc1 2365214687 CRPQXXSDWKMLQK-ZDUSSCGKSA-N 466.970 6.152 50 10 JKGE CC[C@H](O[C@H]1CN(C(=O)OC(C)(C)C)C[C@H]1Br)c1ccc(C(F)(F)F)cc1 2369785478 XWDKQEKIYBKGJW-PMPSAXMXSA-N 452.311 5.556 50 10 JKGE C=CC[C@@]1(CBr)CCCN(Cc2cc(I)ccc2Cl)C1 2380532166 ZIYCMRPJBXKPNH-INIZCTEOSA-N 468.604 5.498 50 10 JKGE CC[C@H](C)c1ccccc1O[C@H](CC)C(=O)NNC(=O)c1ccccc1OCc1ccccc1 10683869 BCFVQPAMQMMZQZ-GBXCKJPGSA-N 460.574 5.398 50 10 JKGE CCCCCCOc1ccccc1C(=O)NC(=S)NNC(=O)c1sc2ccccc2c1Cl 14033008 XEVRPQULBYCINY-UHFFFAOYSA-N 490.050 5.463 50 10 JKGE C[C@H]([C@@H](Cl)c1ccccc1)[n+]1c(-c2ccccc2)cc(-c2ccccc2)cc1-c1ccccc1 15770953 OCYXPKNTLXUKNK-GPNASLBKSA-N 461.028 8.516 50 10 JKGE COc1ccc(/C=C/C(=O)Oc2ccc(/C=C(/C#N)c3ccccc3OC)cc2OC)cc1OC 31902004 CTSHVSRCMNVIDG-DRXPRRSGSA-N 471.509 5.404 50 10 JKGE Cc1ccc(NC(=O)/C(C#N)=C2/S[C@H](Cc3ccccc3)C(=O)N2c2ccc(F)cc2)cc1 33579300 HNVTZMXHPJUIBI-QPQMVVSWSA-N 457.530 5.199 50 10 JKGE N#C/C(=C/c1ccc(OC(=O)c2ccccc2[N+](=O)[O-])cc1)C(=O)Nc1cccc(Cl)c1Cl 33912108 SJULAIQJMJMENB-QINSGFPZSA-N 482.279 5.666 50 10 JKGE CCCN1C(=O)C(C#N)=C(C)/C(=C\c2ccc(OCc3ccc(Cl)cc3)c(OCC)c2)C1=O 38603543 DIKWABYGFSUTRO-FYJGNVAPSA-N 464.949 5.320 50 10 JKGE C[C@@H](Oc1ccc(F)cc1)C(=O)Oc1ccc2c(c1)OC(N)=C(C#N)[C@H]2c1ccc(Cl)c(Cl)c1 38655924 RYKCTKMTXWJYRF-ZLOXQWCVSA-N 499.325 5.724 50 10 JKGE CCc1ccc(O[C@@H](C)C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@H]3c2cccc3ccccc23)cc1 38657923 CJOMFMIUWABMRW-SLQAJWMNSA-N 490.559 5.993 50 10 JKGE C=CCOc1ccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)COc4ccccc4Cl)ccc32)cc1 38658130 RKDVYEDQAQFRAG-SANMLTNESA-N 488.927 5.107 50 10 JKGE Cc1c(C(=O)N2CCCC[C@H]2C)oc2c1/C(=N/NC(=O)c1ccc(-c3ccccc3)cc1)CCC2 40822534 MLMZIRLVNILVDW-NHKAQBEXSA-N 469.585 5.740 50 10 JKGE CCOc1c(Br)cc(/C=N/NC(=O)COc2ccccc2-c2ccccc2)cc1OC 40911848 SEGQJFGSSSTNIF-CVKSISIWSA-N 483.362 5.053 50 10 JKGE O=C(COc1ccc(C2CCCCC2)cc1)N/N=C/c1ccc(Sc2ccc(Cl)cc2)o1 59517301 ROKRLOWULAWSPV-JVWAILMASA-N 469.006 6.661 50 10 JKGE CCCCCCOc1ccc(/C=C\C(=O)Oc2cccc(/C=C(\C#N)C(=O)OC)c2)cc1OC 98028235 JAGIHWPCOLXJGO-UDKPTJMWSA-N 463.530 5.353 50 10 JKGE CCc1cccc(C)c1N/C(SCc1cc(C)ccc1C)=C(\C#N)S(=O)(=O)c1ccccc1 104689357 RBNWKBURQCHRLL-RFBIWTDZSA-N 476.667 6.686 50 10 JKGE COc1cc(Br)c([C@@H](Br)c2cc(Br)ccc2Cl)cc1OC 109860118 RGXMBPSRYWIJGH-OAHLLOKOSA-N 499.424 6.367 50 10 JKGE Fc1cccc(C[C@H](CBr)Cc2ccc(Br)cc2)c1Br 157902835 WRGLWJNQSIZTIA-GFCCVEGCSA-N 464.998 6.147 50 10 JKGE COc1cc(Cl)c([C@@H](Cl)c2cc(Br)ccc2Br)cc1OC 161071028 RWUFZMQNZHUHMW-HNNXBMFYSA-N 454.973 6.210 50 10 JKGE Brc1ccc(Br)c([C@H](Br)c2ccc3c(c2)CCCC3)c1 161077161 AYNUTZJCPILOSZ-QGZVFWFLSA-N 459.019 6.575 50 10 JKGE Fc1ccccc1C(CBr)(CBr)Cc1ccc(Br)cc1Cl 168968928 ORXHXEJSXXAOGB-UHFFFAOYSA-N 499.443 6.512 50 10 JKGE CCCCCOc1ccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)/C=C\c4ccc(C)cc4)ccc32)cc1 205660491 LTXQGIQRZHZLKD-DRNWAURZSA-N 494.591 6.401 50 10 JKGE Cc1cc([C@H](Br)c2cc(Br)cc3c2OCC3)ccc1Br 228442845 RHHKHULBLQDYHO-HNNXBMFYSA-N 460.991 5.939 50 10 JKGE Fc1cccc(C[C@H](Br)c2ccc(I)c(Cl)c2)c1F 232386406 XXGDDXVDFMMFAM-JTQLQIEISA-N 457.483 5.902 50 10 JKGE Cc1cccc(N[C@@H](C)C(=O)NN=Cc2ccccc2OCc2cccc(Br)c2)c1 251078641 URDIVACAIISANU-SFHVURJKSA-N 466.379 5.287 50 10 JKGE CC(C)(C)c1ccc(O)c(N=Nc2ccccc2OCP(=O)(c2ccccc2)c2ccccc2)c1 254526639 QXMACNRGZMGXGS-UHFFFAOYSA-N 484.536 7.456 50 10 JKGE COc1ccc(C(=O)Oc2ccc3ccccc3c2C=NNC(=O)c2ccccc2C)cc1OC 254833176 LMGWEAJHWMBKML-UHFFFAOYSA-N 468.509 5.149 50 10 JKGE O=C1Cc2cc([C@H](Br)c3cccc(Br)c3)c(Br)cc2N1 312709587 DZXJEXUVIATNBA-OAHLLOKOSA-N 459.963 5.191 50 10 JKGE Cc1ccc([C@H]2CN(Cc3ccccc3)C[C@@H]2CI)cc1Br 382720182 MVZVASCJSYSTCW-ZWKOTPCHSA-N 470.192 5.408 50 10 JKGE COc1cc2nc([C@H](C)Cl)n(CCCN(Cc3ccccc3)Cc3ccccc3)c2cc1OC 390602393 WLRKOIMPUVSMKN-NRFANRHFSA-N 478.036 6.446 50 10 JKGE Fc1cc(F)c2nc(CCCl)n(CCCN(Cc3ccccc3)Cc3ccccc3)c2c1 390680497 ZMNMTRBIUAMSEN-UHFFFAOYSA-N 453.964 6.188 50 10 JKGE COc1ccc(OCc2cc(Cl)ccc2I)c(CBr)c1 405318689 XXRPMFREQWGVDK-UHFFFAOYSA-N 467.528 5.427 50 10 JKGE COCc1cc(Br)c([C@H](Br)c2cc(Br)ccc2OC)s1 688062086 SBKMZUOLPSAEGP-CYBMUJFWSA-N 485.035 5.912 50 10 JKGE CC1(C)CC[C@H](CBr)N(C(=O)c2ccc(Br)cc2Br)C1 701587858 AVKITIHFVCBOBQ-LLVKDONJSA-N 468.027 5.237 50 10 JKGE C[C@@H](Cl)c1nc2cc(Cl)c(F)cc2n1CC1(N(Cc2ccccc2)Cc2ccccc2)COC1 707858663 QAQYICMPTCNZGE-LJQANCHMSA-N 498.429 6.600 50 10 JKGE CCOc1cc(/C=C(\C#N)C(=O)Nc2cccc(Cl)c2Cl)ccc1OCc1cccc(C)c1 1083916309 IYJRCVAPMROWQC-DEDYPNTBSA-N 481.379 6.825 50 10 JKGE Cc1ccc(-n2nc(C)c(C=NNC(=O)COc3ccc(C(C)(C)c4ccccc4)cc3)c2C)cc1 1084127597 UDBKONBPBUMTLP-UHFFFAOYSA-N 480.612 5.653 50 10 JKGE CN(C)C(=O)/C(C#N)=C/c1cc(Cl)c(OCc2ccc3ccccc3c2)c(Br)c1 1084322263 PPDNRSAVTGDAGS-VXLYETTFSA-N 469.766 5.830 50 10 JKGE COc1cc(C=NNC(=O)c2ccc(-n3c(C)ccc3-c3ccccc3)cc2)ccc1OCC#N 1084416284 IBBUTUFCNSLEMQ-UHFFFAOYSA-N 464.525 5.128 50 10 JKGE CCOc1cc(/C=C(\C#N)C(=O)Nc2cccc(Cl)c2Cl)cc(Cl)c1OCC#N 1084645640 ZJMZIZSQJGXONX-MDWZMJQESA-N 450.709 5.494 50 10 JKGE Cc1c(C(=O)Nc2ccccc2)oc2c1C(=NNC(=O)c1ccccc1Br)CCC2 1772744002 OEIVALLTVJRURG-UHFFFAOYSA-N 466.335 5.073 50 10 JKGE Cc1cccc(NC(=O)c2oc3c(c2C)C(=NNC(=O)c2ccc(Cl)cc2Cl)CCC3)c1C 1772748659 SGDKVGBLINGQES-UHFFFAOYSA-N 484.383 6.234 50 10 JKGE Cc1c(C(=O)Nc2cccc(Cl)c2Cl)oc2c1C(=NNC(=O)Cc1ccccc1)CCC2 1772749292 SUWGBWQGZNBJEA-UHFFFAOYSA-N 470.356 5.546 50 10 JKGE Cc1ccc(C)c(NC(=O)c2oc3c(c2C)C(=NNC(=O)Cc2coc4cc(C)cc(C)c24)CCC3)c1 1772751506 DSSMTZKYJFUEIB-UHFFFAOYSA-N 497.595 6.220 50 10 JKGE CCCc1nn(-c2ccc(Br)cc2)c2c1[C@H](c1c(F)cccc1Cl)C(C#N)=C(N)O2 1865682707 WAZRKPUJLMQLFF-SFHVURJKSA-N 487.760 5.598 50 10 JKGE N#CC1=C(N)Oc2c(c(C(F)(F)F)nn2Cc2ccccc2Cl)[C@@H]1c1c(Cl)cccc1Cl 1865684891 ANCMKENFQJNJOD-HNNXBMFYSA-N 499.707 6.129 50 10 JKGE CCc1nn(Cc2ccc(Cl)c(Cl)c2)c2c1[C@@H](c1cc(C)ccc1O)C(C#N)=C(N)O2 1865687068 IQIXVRYUGPFVOY-FQEVSTJZSA-N 455.345 5.033 50 10 JKGE COc1ccc2ccccc2c1[C@H]1C(C#N)=C(N)Oc2c1c(C(F)(F)F)nn2Cc1ccc(C)cc1 1865688104 JNGXWKKPYAGUJH-JOCHJYFZSA-N 490.485 5.639 50 10 JKGE CCCCOc1ccc([C@@H]2C(C#N)=C(N)Oc3c2c(CCC)nn3Cc2ccc(F)cc2)cc1 1865692339 LJXOZNZONQNHJT-XMMPIXPASA-N 460.553 5.420 50 10 JKGE Cc1ccc(C)c(Cn2nc(C(F)(F)F)c3c2OC(N)=C(C#N)[C@@H]3c2c[nH]c3ccccc23)c1 1865700225 NKBPGZMCQNEBKO-HXUWFJFHSA-N 463.463 5.267 50 10 JKGE COc1ccc(-c2nn(-c3cccc4ccccc34)c3c2[C@@H](c2ccc[nH]2)C(C#N)=C(N)O3)cc1 1865709682 DWXUARVTXMIHAN-XMMPIXPASA-N 459.509 5.247 50 10 JKGE COc1cccc([C@@H]2C(C#N)=C(N)Oc3c2c(C(F)(F)F)nn3Cc2ccc(Cl)c(Cl)c2)c1 1865711751 HIIIHIBAGQKWPM-QGZVFWFLSA-N 495.288 5.484 50 10 JKGE CC1(C)COCCN1c1cc(Nc2ccc(SC#N)cc2)nc(-c2ccc(Cl)cc2)n1 1868433411 LBMIPVSFOWTZIC-UHFFFAOYSA-N 451.983 5.729 50 10 JKGE CCCCc1ccc(N2C[C@H](/C(O)=C(\C#N)c3nc(-c4ccc(CC)cc4)cs3)CC2=O)cc1 1872744288 KZNZZVGRCQFGRY-GEHZHUCRSA-N 471.626 6.561 50 10 JKGE CCCCc1ccc(-c2csc(/C(C#N)=C(\O)c3ccc(N4CCCC4)c([N+](=O)[O-])c3)n2)cc1 1872744656 BSAAUOSHBUFURN-DAFNUICNSA-N 474.586 6.611 50 10 JKGE COc1ccc(OC)c(/C=C/C(O)=C(\C#N)c2nc(-c3ccc(Cl)c(Cl)c3)cs2)c1 1872749205 GXHIQMBSSSMKCI-LJMHTFSHSA-N 459.354 6.640 50 10 JKGE N#C/C(=C(/O)c1cccc(N2COc3ccc4ccccc4c3C2)c1)c1nc(-c2cccs2)cs1 1872750191 AVDXMOYHNPUYDO-QYQHSDTDSA-N 493.613 7.331 50 10 JKGE COc1c(C)cc(C)cc1-c1csc(/C(C#N)=C(\O)COc2cc(C)c(Cl)c(C)c2)n1 1872754877 NANROPNBMGAJHT-VZCXRCSSSA-N 454.979 6.577 50 10 JKGE COc1c(C)cc(C)cc1-c1csc(/C(C#N)=C(\O)CCCOc2ccc(C(C)(C)C)cc2)n1 1872754938 QNBNSXLYTTZPKQ-BZZOAKBMSA-N 476.642 7.385 50 10 JKGE C[C@@H](Oc1ccc(Cl)cc1)/C(O)=C(\C#N)c1nc(-c2cc(Cl)ccc2Cl)cs1 1872758712 MTUOEQBHKSGGHF-HBTZSIKTSA-N 451.762 7.030 50 10 JKGE CCCOc1ccc(-c2csc(/C(C#N)=C/c3ccc(O)c([N+](=O)[O-])c3)n2)cc1OCCC 1872790254 VEULFSWFEUNUFB-WOJGMQOQSA-N 465.531 6.066 50 10 JKGE CCOc1cc(/C=C(\C#N)c2nc(-c3ccc(C)c(C)c3)cs2)ccc1OCc1ccccc1C 1872793832 VRPCKOUKZAXBJU-CVKSISIWSA-N 480.633 7.777 50 10 JKGE CCCOc1ccc(-c2csc(/C(C#N)=C(\O)C(Cl)(Cl)Cl)n2)cc1OCCC 1872817981 GRHXWRISJGKIRZ-LGMDPLHJSA-N 461.798 6.551 50 10 JKGE COc1ccccc1-c1csc(/C(C#N)=C(\O)c2ccc3c(c2)C(=O)N(Cc2ccco2)C3=O)n1 1872818126 NWQRTEQRLJSMOW-ATJXCDBQSA-N 483.505 5.158 50 10 JKGE CC(C)c1ccc(O[C@H](C)/C(O)=C(\C#N)c2nc(-c3ccc(-c4ccccc4)cc3)cs2)cc1 1873940720 DVRODOVNNWLKDG-OXNJYFPOSA-N 466.606 7.861 50 10 JKGE N#C/C(=C(O)\C(=C/c1ccccc1)c1ccccc1)c1nc(-c2cccc([N+](=O)[O-])c2)cs1 1873941046 UCUZVIFHSTVNJG-QRFZOUOXSA-N 451.507 6.752 50 10 JKGE Brc1cc(Br)c([C@@H](Br)[C@H]2C[C@@H](Br)C2)s1 1893088145 JKBOPYRPMURWFZ-UUEMRFSQSA-N 467.846 5.883 50 10 JKGE Brc1cc(Br)cc(CO[C@@H]2CCC[C@@H]2I)c1 1900372136 IDAUVPORXFIGQZ-NWDGAFQWSA-N 459.947 5.084 50 10 JKGE O=S(=O)(c1ccc(Br)cc1Cl)N(Cc1ccccc1)[C@@H](CCl)C1CC1 1915143210 LLGOFLFCJMVCJS-KRWDZBQOSA-N 463.224 5.311 50 10 JKGE CC(C)[C@H](CCl)N(Cc1ccccc1)C(=O)c1cccc(Br)c1Br 1915281453 RGDUWLSPBIESTP-KRWDZBQOSA-N 473.636 6.117 50 10 JKGE COc1cccc(OC)c1[C@H](Cl)c1c(Br)sc(Br)c1Cl 1923047478 BZUFRUHHNOHJAT-JTQLQIEISA-N 461.002 6.272 50 10 JKGE F[C@@H]1CCC[C@@H]([C@H](Br)c2c(Br)sc(Br)c2Cl)C1 1923072371 ONKZLNMYYZUTNG-JKMUOGBPSA-N 469.439 6.891 50 10 JKGE C[C@@H]1CCC[C@@H]([C@H](Br)c2c(Br)sc(Br)c2Cl)C1 1923074266 JHOHOTRYNDWRDO-BHNWBGBOSA-N 465.476 7.189 50 10 JKGE CC[C@@H]1C[C@@H]1[C@@H](Br)c1c(Br)sc(Br)c1Br 1924605156 NHDRXWPFGLFPAP-JCGDXUMPSA-N 481.873 6.518 50 10 JKGE C[C@@H]1CC[C@](C)([C@H](Cl)c2c(Br)sc(Br)c2Br)C1(C)C 1924609385 WWPZEKVUEKRHGS-KZJPANMKSA-N 493.530 7.778 50 10 JKGE Cc1coc([C@@H](Br)c2c(Br)sc(Br)c2Br)c1 1924614693 QILQYJICCLVTPA-SSDOTTSWSA-N 493.840 6.421 50 10 JKGE C[C@H]1CN(Cc2ccccc2)[C@H](C)CN1c1cc(Br)ccc1CBr 1946784376 ZSXFDZHESMIRDX-CVEARBPZSA-N 452.234 5.443 50 10 JKGE C[C@@H]1C[C@H](N(C)c2ccc(Br)cc2CBr)CN1Cc1ccccc1 1949203131 AIFVZBARUVTACN-BEFAXECRSA-N 452.234 5.443 50 10 JKGE BrC[C@@H](OCCOCCOCc1ccccc1)c1ccccc1Br 2007814759 XKCHDBPDCZDJPC-LJQANCHMSA-N 458.190 5.135 50 10 JKGE Clc1c(Br)sc(Br)c1[C@@H](Br)[C@@]12CC[C@@H](CO1)C2 2021891239 QUFIMGJTRMZZMW-MEQXXCBNSA-N 465.432 5.932 50 10 JKGE Clc1ccc([C@H](Br)Cc2ccccc2I)c(Cl)c1 2027336990 YJIBVWRTSXLGAE-GFCCVEGCSA-N 455.948 6.277 50 10 JKGE BrCc1cc(Br)c(OCCCOC2CCC2)c(Br)c1 2088889383 FPRYGYRGSLGCAX-UHFFFAOYSA-N 457.000 5.445 50 10 JKGE BrCc1ccc(Br)cc1N1CC[C@H]2CCN(Cc3ccccc3)C[C@H]2C1 2092524912 UXLXBPXGYZCFJD-QUCCMNQESA-N 478.272 5.692 50 10 JKGE Cl[C@H](c1cc2c(cc1Br)OCCO2)c1cscc1OCc1ccccc1 2100088444 BHJHLRCJOQQHCV-HXUWFJFHSA-N 451.769 6.189 50 10 JKGE Fc1cc(Br)cc(CC[C@@H](Br)c2cccc(Br)c2)c1 2113488480 DNDUBONZWSZZPM-OAHLLOKOSA-N 450.971 6.420 50 10 JKGE Fc1ccc(F)c(C[C@H](Br)c2cccc(Br)c2)c1Br 2113493552 OUOLZJHVSWHBSD-NSHDSACASA-N 454.934 6.169 50 10 JKGE Brc1ccc(Br)c(CN2C[C@H]3C[C@H](Br)CC[C@H]3C2)c1 2118520463 VHLJFRZYDOTQDC-DMDPSCGWSA-N 452.028 5.207 50 10 JKGE CC1(C)CC[C@H](Br)[C@H](Cc2c(Br)cccc2Br)CC1 2122926840 GGTAOJDGGDLQJL-AAEUAGOBSA-N 453.056 6.734 50 10 JKGE Cc1cc(Cl)c([C@H](Cl)c2cc(I)ccc2Br)cc1Cl 2136697891 SCQMTHIGPULATR-CQSZACIVSA-N 490.393 6.997 50 10 JKGE COc1cc(F)c([C@H](Cl)c2cccc(I)c2)cc1Br 2138145511 BXDLSKOKWPYTMW-CQSZACIVSA-N 455.492 5.530 50 10 JKGE COc1ccc(C)cc1[C@H](Cl)c1ccc(Br)cc1I 2142286877 JHORSOSURBXMPU-OAHLLOKOSA-N 451.529 5.699 50 10 JKGE CC1(C)C[C@H](n2c(CCl)nc3cc(Br)c(F)cc32)CN1Cc1ccccc1 2154536017 WCFWHRVDUNZPFX-HNNXBMFYSA-N 450.783 5.902 50 10 JKGE C[C@@H](Cl)c1nc2cc(Cl)c(Br)cc2n1C[C@@H]1CCCN1Cc1ccccc1 2169007398 AQMVWLDJPZYTFZ-ZBFHGGJFSA-N 467.238 6.417 50 10 JKGE O=C(NCC[C@@H]1CCCC[C@H]1Br)c1ccc(I)c(Cl)c1 2179638573 XQWXTIRXIUECIU-CMPLNLGQSA-N 470.576 5.018 50 10 JKGE Cc1nn(C)c(Br)c1[C@H](Br)c1c(Br)cc(F)c(F)c1F 2185754510 PJXSFZOIIZWJEE-VIFPVBQESA-N 476.916 5.155 50 10 JKGE COc1cc([C@@H](Br)c2ccc(C)c(Br)c2C)ccc1Br 2192150191 FRPWMKRNNNBKKZ-MRXNPFEDSA-N 463.007 6.321 50 10 JKGE Cc1cc(Br)c(C)c([C@@H](Br)[C@H]2C[C@@H]3CC[C@H](C2)O3)c1Br 2201078272 MIVFLSBDNJLLCT-OVZMXSCWSA-N 467.039 6.222 50 10 JKGE COc1cc(F)c(F)cc1[C@H](Br)c1ccc(F)cc1I 2204495905 MESZHYHDZNZAFV-CQSZACIVSA-N 457.027 5.201 50 10 JKGE Cc1c(Br)sc([C@@H](Br)c2sccc2I)c1C 2210554711 BVMNZJSEHDFUIO-MRVPVSSYSA-N 492.039 6.278 50 10 JKGE CCOCc1cc(Br)c([C@H](Br)c2cc(Br)sc2C)s1 2224804916 LKGLXKFVBNZBBY-GFCCVEGCSA-N 489.092 6.664 50 10 JKGE COCc1cccc([C@H](Br)c2cc(Br)c(Br)cc2F)c1 2233976975 RPEXBCDPLYSIEI-HNNXBMFYSA-N 466.970 5.981 50 10 JKGE Cc1cc(Br)c([C@@H](Br)C[C@H]2C[C@H]3CC[C@H]2C3)c(C)c1Br 2235603014 GJXYRRGBXQXZIN-XPCVCDNBSA-N 465.067 7.091 50 10 JKGE O=[N+]([O-])c1ccc(C[C@@H](Br)c2ccc(I)cc2)c(F)c1 2237447208 YCPRDHOJYUSCAF-CYBMUJFWSA-N 450.045 5.017 50 10 JKGE Cc1cc(F)c(Br)cc1C(=O)N(Cc1ccccc1)[C@H](CBr)C1CC1 2258014731 AWLXEJIQJLHFQD-LJQANCHMSA-N 469.192 5.713 50 10 JKGE Fc1cc(Cl)c([C@@H](Br)c2cc(Cl)sc2Cl)cc1Br 2258115269 ZRDCILYBIAANCA-SNVBAGLBSA-N 453.385 7.094 50 10 JKGE COc1cscc1[C@H](Br)Cc1cc(Br)cc(Br)c1 2263524036 FJMAYYNZNFUSJW-GFCCVEGCSA-N 455.009 5.960 50 10 JKGE Brc1ccc([C@@H](Br)c2cc3sc(Br)cc3s2)cc1 2263617239 DFUUBYKNGKHPLJ-CYBMUJFWSA-N 467.045 6.972 50 10 JKGE Cc1cc(Br)c([C@@H](Br)c2cccc(Br)c2)c(C)c1F 2264468897 OAZFFKIBECZNGF-AWEZNQCLSA-N 450.971 6.452 50 10 JKGE Cc1cc(Br)c([C@@H](Cl)c2c(F)cc(Br)c(F)c2Br)s1 2272722482 TZRPXFHFFPVREI-JTQLQIEISA-N 495.408 6.950 50 10 JKGE Fc1ccc([C@H](Br)Cc2ccc(Cl)c(F)c2)c(I)c1 2277794637 XQSBBZFSLTXQSI-LLVKDONJSA-N 457.483 5.902 50 10 JKGE Fc1cc([C@@H](Cl)c2cc(Cl)c(Br)cc2F)c(Cl)cc1Br 2282900215 VVCFCVKDOVNIFB-CYBMUJFWSA-N 465.346 7.125 50 10 JKGE Fc1cc(F)c([C@@H](Cl)c2ccc(Cl)c(I)c2)c(F)c1Br 2283582657 KRQGSWKIZMYYNE-LBPRGKRZSA-N 495.891 6.453 50 10 JKGE CC[C@@H](C)c1ccc([C@H](Br)c2ccc(Cl)c(I)c2)cc1 2283587547 VVSOIJVHDSUFFE-DIFFPNOSSA-N 463.584 6.942 50 10 JKGE Clc1ccc(I)cc1O[C@@H]1C[C@H](Br)C12CCCCCC2 2288258370 VOWZZIAECDFZCS-LSDHHAIUSA-N 469.588 6.200 50 10 JKGE Fc1cc(Br)c(F)c(Br)c1[C@@H](Br)C1CC(CC2CC2)C1 2288482025 CMEQIEMHGSRMLP-RPTIHFLNSA-N 472.993 6.752 50 10 JKGE CC(C)(C)CCN(CCBr)C(=O)c1cc(Br)ccc1Br 2289872103 QUZGJXWUFJHHHP-UHFFFAOYSA-N 470.043 5.485 50 10 JKGE CCOC(=O)c1ccc(-c2ccc(C=C(C#N)c3nc4cc(Br)cnc4[nH]3)o2)cc1 2293783225 OKYISNKMBNZWKO-UHFFFAOYSA-N 463.291 5.221 50 10 JKGE C=CCOc1c(I)cc(C=C(C#N)c2ccc([N+](=O)[O-])cc2)cc1OCC 2294229397 QBXDTBCQGADQRN-UHFFFAOYSA-N 476.270 5.227 50 10 JKGE COc1c(Br)cc(Cl)cc1[C@H](Br)c1csc(Cl)c1OC 2295273927 DMPDNCJWAXZSKU-JTQLQIEISA-N 461.002 6.319 50 10 JKGE CN(C(=O)c1cc(Br)c(Br)s1)[C@H](CBr)c1ccccc1 2296519412 GAQAXPUACQNECY-LLVKDONJSA-N 482.035 5.481 50 10 JKGE CCOc1ccc(-c2nn(-c3ccccc3)cc2C=C(C#N)c2nc(O)c3ccccc3n2)cc1Cl 2296545328 HYPSVRZTEBWLKO-UHFFFAOYSA-N 493.954 6.304 50 10 JKGE CCOC(=O)C(C#N)=CC=C1C=CN(CC(=O)c2ccc(-c3ccccc3)cc2)c2ccccc21 2297450650 YRDXXOVXSOGTEB-UHFFFAOYSA-N 460.533 5.967 50 10 JKGE N#CC(=Cc1ccc(OCc2ccc(F)cc2)cc1)C(=O)Nc1ccccc1Br 2297491150 CYYRNFRCJVLTMI-UHFFFAOYSA-N 451.295 5.713 50 10 JKGE Brc1cc(OCc2ccccc2)ccc1[C@H](Br)C12CCC(CC1)O2 2299491141 CFBKULCKZZVACC-YHDJDMAPSA-N 452.186 6.176 50 10 JKGE Fc1cc(OC[C@H]2CC2(Br)Br)cc(Cl)c1CBr 2306833536 UNLIZQWJHWUSQQ-ZCFIWIBFSA-N 451.355 5.259 50 10 JKGE Cc1ccc(NC(=O)C(C#N)=Cc2c(C)n(Cc3ccc(Br)cc3)c3ccccc23)cc1 2313567644 JNMLYPOSHCKTNA-UHFFFAOYSA-N 484.397 6.615 50 10 JKGE Cc1ccc(COc2ccc(Br)cc2C=C(C#N)C(=O)Nc2ccc(Cl)cc2)cc1 2313631204 MAJVMIAJSBYWAO-UHFFFAOYSA-N 481.777 6.536 50 10 JKGE Cc1cccn2c(=O)c(C=C(C#N)C(=O)Nc3cccc(Cl)c3)c(Oc3ccc(F)cc3)nc12 2314534155 ZQFVDAZTBAZORG-UHFFFAOYSA-N 474.879 5.133 50 10 JKGE C=CCNC(=O)C(C#N)=C1S[C@H](Cc2ccc(Cl)cc2Cl)C(=O)N1c1ccc(C)c(C)c1 2314593881 VKJNUVKHZXJNDY-OAQYLSRUSA-N 486.424 5.339 50 10 JKGE CSc1ccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)C=Cc4ccc(C(C)(C)C)cc4)ccc32)cc1 2314634361 IFOYSLOZVVQVJS-MUUNZHRXSA-N 496.632 6.543 50 10 JKGE COc1cc(C=C(C#N)C(=O)NCc2ccccc2)ccc1OC(=O)C=Cc1ccc(C(C)C)cc1 2314737218 RVQJKJKZPIMYRF-UHFFFAOYSA-N 480.564 5.661 50 10 JKGE Cn1nc(Br)c(Br)c1[C@H](Cl)c1ccc(F)c(Br)c1 2316726479 VEDRRUOIPYWLRT-SECBINFHSA-N 461.354 5.175 50 10 JKGE FC(F)(C1CCOCC1)[C@@H](Br)c1sc(Cl)cc1I 2316769413 ALFDOIYPHLQHTP-JTQLQIEISA-N 471.532 5.504 50 10 JKGE COc1c(Br)cc(C)c([C@H](Br)CC(F)(F)F)c1Br 2317427020 RBWLVFBJVHQMNY-SSDOTTSWSA-N 454.906 5.917 50 10 JKGE CCc1cc([C@H](Cl)c2ccc(Cl)cc2I)sc1Br 2317778460 NIMCZIDMWHNOBP-GFCCVEGCSA-N 476.004 6.659 50 10 JKGE C[C@H](Oc1ccc(Cl)cc1Cl)C(=O)Oc1cccc(C=C(C#N)c2ccccc2F)c1 2320510738 AHODCFSVSHWSMW-HNNXBMFYSA-N 456.300 6.570 50 10 JKGE N#CC(=CN1CCN(C(c2ccccc2)c2ccccc2)CC1)C(=O)Nc1cccc2c(O)cccc12 2324915192 OUIAXHJPDBRKIY-UHFFFAOYSA-N 488.591 5.299 50 10 JKGE N#CC(=C(O)c1cccc(Br)c1)c1nc(-c2cccc(Br)c2)cs1 2331279399 URUYRQPQTYGBQS-UHFFFAOYSA-N 462.166 6.285 50 10 JKGE CC[C@@H](C)[C@H](C(O)=C(C#N)c1nc(-c2ccc([N+](=O)[O-])cc2)cs1)N1C(=O)c2ccccc2C1=O 2331281427 VYFGMLCFLCHZDO-SPLOXXLWSA-N 488.525 5.222 50 10 JKGE N#CC(=C(O)C(=Cc1ccccc1)c1ccccc1)c1nc(-c2ccc3c(c2)OCO3)cs1 2331333929 ODURCRAFYRAWLD-UHFFFAOYSA-N 450.519 6.572 50 10 JKGE COc1cc(C=C(C#N)c2nc(-c3ccc(Cl)s3)cs2)ccc1OCc1ccc(Cl)cc1 2331485123 SXPXNXGQFIDPCR-UHFFFAOYSA-N 499.444 7.830 50 10 JKGE Cc1cc(Br)c([C@@H](Br)C[C@@]23CCC[C@@H]2C3)c(C)c1Br 2333709034 UEESBVYZCKQLRJ-FFSVYQOJSA-N 451.040 6.845 50 10 JKGE Clc1ccc(C[C@@H]2CCCCCCC[C@@H]2Br)cc1I 2337277729 XPHNGYFHIWIHIY-KBPBESRZSA-N 455.605 6.611 50 10 JKGE Cc1cc(Br)c(F)c(Br)c1[C@@H](Br)[C@@H]1C[C@H]2CC[C@H]1O2 2339652293 XYQVRKXNFIXOHC-HVSQXUEJSA-N 456.975 5.663 50 10 JKGE CCCC1([C@H](Br)c2c(C)cc(Br)c(OC)c2Br)CC1 2339687912 BECLMAVYTLLFOE-CQSZACIVSA-N 455.028 6.545 50 10 JKGE Clc1cc(Cl)cc(CC[C@H](Br)c2ccccc2I)c1 2341181120 RPHXVAMMJSPYLK-AWEZNQCLSA-N 469.975 6.667 50 10 JKGE CC(C)(C)[C@@H]1CC[C@H]1[C@@H](Br)c1cc(Br)c(Br)cc1F 2343222660 RTBKJDPLSJQSSB-PJCOJXEDSA-N 457.019 6.859 50 10 JKGE Brc1cc(CN2CC3(CCC(Br)CC3)C2)ccc1I 2349834178 GSHJXMSUEWNKJD-UHFFFAOYSA-N 499.028 5.193 50 10 JKGE FC(F)(F)[C@H]1C[C@@H](Br)CCN1Cc1c(Br)cccc1Br 2361419832 CJGVKHBAWHTWHP-QPUJVOFHSA-N 479.960 5.502 50 10 JKGE C=CC[C@]1(CBr)CCCN(Cc2ccc(Cl)c(I)c2)C1 2362368919 SLOAOONFOIAYRZ-MRXNPFEDSA-N 468.604 5.498 50 10 JKGE CC(C)(C)OC(=O)NCC[C@@H]1CCN(CCCCCCBr)[C@H](C(F)(F)F)C1 2362815222 WWCDEAITCDTMHP-CVEARBPZSA-N 459.391 5.499 50 10 JKGE Fc1cc(Br)c(Br)cc1[C@H](Br)[C@@H]1C[C@H]2CCC[C@H]1CC2 2364091769 HMJNACGMURCLJI-ZSYFIWHWSA-N 469.030 7.003 50 10 JKGE Cc1cc(Br)c(F)c(Br)c1[C@@H](Br)[C@H]1[C@@H]2[C@H]1CCC2(F)F 2365190661 HAJGFPQOSUFSCD-ZFHNAUHKSA-N 476.956 6.386 50 10 JKGE COc1c(Br)cc(C)c([C@H](Br)[C@H]2C[C@@]23CC3(F)F)c1Br 2365214477 AVBASIVJLNVRMG-XBURVNOZSA-N 474.965 6.010 50 10 JKGE COc1cc(C)c(Cl)cc1[C@H](Br)c1ccc(Cl)cc1I 2365595432 JTIQUHPTYWUQOP-OAHLLOKOSA-N 485.974 6.399 50 10 JKGE Clc1ccc(CO[C@@H]2C[C@@H](Br)C23CCCCC3)c(I)c1 2365648777 YCIRKAJBUMYXBG-HUUCEWRRSA-N 469.588 5.948 50 10 JKGE FC(F)(F)[C@H]1C[C@@H](Br)CCN1Cc1ccc(Cl)cc1I 2366713725 BKXZQXDPGDJYQY-JOYOIKCWSA-N 482.509 5.235 50 10 JKGE CC1(C)CC(CBr)(CN=[S@](C)(=O)c2cccc(NC(=O)OC(C)(C)C)c2)C1 2371133913 QZLYNWNJROSPOE-HHHXNRCGSA-N 459.450 5.692 50 10 JKGE Clc1ccc(I)cc1COC[C@@H](CBr)c1ccccc1 2380373414 HXCZUMDKXSMXRP-CQSZACIVSA-N 465.556 5.640 50 10 JKGE FC12COC(CC(CBr)(CBr)c3ccc(Br)cc3)(C1)C2 2381164969 MWGBSKPANIBQBS-UHFFFAOYSA-N 471.002 5.138 50 10 JKGE CCOc1ccc(S(=O)(=O)Nc2ccc(C(=O)N/N=C/C=C(/C)CCC=C(C)C)cc2)cc1 6146231 ZGYVXVAOZZEXOZ-WINBWAEXSA-N 469.607 5.294 50 10 JKGE CCOc1ccc(/C=C/C(=O)Oc2cccc(/C=C(/C#N)c3cccc(Cl)c3)c2)cc1OC 31902520 RRGBFAJGWANAJH-SNKMFAENSA-N 459.929 6.430 50 10 JKGE Cc1ccc(NC(=O)/C(C#N)=C2/S[C@@H](Cc3ccc(F)cc3)C(=O)N2c2ccc(Cl)cc2)cc1 33383671 YNYZFRDDVUFFGX-GPSDDGMOSA-N 491.975 5.853 50 10 JKGE Cc1ccc(NC(=O)/C(C#N)=C2/S[C@@H](Cc3cccc(C)c3)C(=O)N2c2ccc(F)cc2)cc1 33579303 DOAURYFCWSQWJI-BSSRNLCFSA-N 471.557 5.508 50 10 JKGE CCCSc1ccc(-c2nn(-c3ccccc3)cc2/C=C(/C#N)C(=O)N2CCCCC2)cc1 35445887 JRYKOJAGCWVJBX-PYCFMQQDSA-N 456.615 5.961 50 10 JKGE CCCOc1ccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)[C@H](C)Oc4ccccc4F)ccc32)cc1 38650673 OOSOXAPYESZISB-MRDQGFSESA-N 488.515 5.206 50 10 JKGE CCOc1ccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4ccc(C(C)(C)C)cc4)ccc32)cc1OC 38659443 GCJTVPBDBDWWKS-HHHXNRCGSA-N 498.579 5.829 50 10 JKGE COc1ccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4oc5cc(C)ccc5c4C)ccc32)c(OC)c1 38688452 ZTMAVJVBISBCIZ-SANMLTNESA-N 496.519 5.504 50 10 JKGE CCCCC1CCC(C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@H]3c2ccc(OC)c(OC)c2)CC1 38688622 NZDDADBDFJFDHF-BNXSYVIRSA-N 490.600 5.824 50 10 JKGE CCc1ccccc1NC(=S)NNC(=O)c1ccc(-c2cc(C(F)(F)F)ccc2Cl)o1 39892546 VFMKYYUIFXLUOF-UHFFFAOYSA-N 467.900 5.813 50 10 JKGE C=CCc1cc(/C=N\NC(=O)CC[C@@H](O)c2ccccc2)cc(OC)c1OCc1ccccc1F 58892047 PINSTDQPUFJQKV-TZMKENEKSA-N 476.548 5.106 50 10 JKGE CCOc1cc(/C=C(/C#N)C(=O)Nc2cccc(C(F)(F)F)c2)ccc1OCc1cccc(F)c1 59291931 PQFYLCRSJBGDBC-ODLFYWEKSA-N 484.449 6.368 50 10 JKGE O=C(N/N=C/c1cc(-c2ccccc2)n(-c2ccc([N+](=O)[O-])cc2)c1-c1ccccc1)c1ccccc1 59427664 MKOGIFRRLIPYIA-NJZRLIGZSA-N 486.531 6.483 50 10 JKGE C[C@H](Cl)c1ccccc1NS(=O)(=O)c1cc(Br)ccc1Br 96873340 RKTCILJWGSYOBB-VIFPVBQESA-N 453.583 5.312 50 10 JKGE C=CCc1ccc(OCCOc2cccc(/C=C(/C#N)C(=O)Nc3ccc(C)cc3)c2)c(OC)c1 101428422 BRTUGFRESNETLL-ULJHMMPZSA-N 468.553 5.736 50 10 JKGE CCOc1ccccc1N/C=C(\C#N)c1nc(-c2cc3c(ccc4ccccc43)oc2=O)cs1 102402770 NAXARHWQZVAZCV-OBGWFSINSA-N 465.534 6.445 50 10 JKGE Fc1c([C@H](Br)c2cc(Cl)c(Br)s2)cccc1C(F)(F)F 128143212 PVHGTFNRALPNLH-VIFPVBQESA-N 452.492 6.806 50 10 JKGE Cc1cc(Br)c([C@@H](Br)c2cc3c(s2)CCCCC3)cc1Br 128815294 RVQZKEZYJKEJKO-QGZVFWFLSA-N 493.102 7.335 50 10 JKGE CCOc1cc(Cl)c([C@@H](Br)c2ccc(Br)c(C)c2)cc1Cl 137920509 QXCSKPDCMRBPOO-INIZCTEOSA-N 453.001 6.947 50 10 JKGE Fc1cccc(C[C@@H](CBr)Cc2cccc(Br)c2)c1Br 157904305 XZZUABHJVNYYIN-LBPRGKRZSA-N 464.998 6.147 50 10 JKGE O=C(Cc1ccccc1)N/N=C\c1ccc(N2N=C(c3ccccc3)C[C@@H]2c2ccccc2)cc1 169901081 MXEXGBGWTOXZAH-DFPDRQGQSA-N 458.565 5.735 50 10 JKGE CCOc1cc(/C=C2\C(=O)N(CCc3ccccc3)C(=O)C(C#N)=C2C)ccc1OCCC(C)C 214350741 VTJZOSGDEKMQPL-ULJHMMPZSA-N 472.585 5.345 50 10 JKGE N#C/C(=C/Nc1ccc(Cl)c(C(F)(F)F)c1)C(=O)Nc1ccc(Oc2ccccc2)cc1 217210482 UXPJFUQWZIZHGZ-PFONDFGASA-N 457.839 6.609 50 10 JKGE Clc1cc(Br)ccc1Oc1cc(Br)ccc1CBr 218189563 LIKWVHQGPPWIDV-UHFFFAOYSA-N 455.371 6.552 50 10 JKGE CCC(CC)N(CCBr)C(=O)c1cc(Br)sc1Br 232895491 JPINXVOFOARNOZ-UHFFFAOYSA-N 462.045 5.299 50 10 JKGE C[C@@H](Cl)c1ccccc1NC(=O)c1cc(Br)ccc1I 235138068 UXLMWTYCFZXUAD-SECBINFHSA-N 464.528 5.606 50 10 JKGE Cc1cc(Cl)ccc1[C@H](Br)c1cc(Br)c(Br)s1 235870188 HXJNNSJJRWACDQ-NSHDSACASA-N 459.428 6.719 50 10 JKGE Clc1cc(Br)cc([C@@H](Br)c2cc(Br)c(Cl)s2)c1 236067790 RPTASYFGTAMWCF-SNVBAGLBSA-N 479.846 7.064 50 10 JKGE CCCCCCCCCCCCCCCCCC(=O)NN=Cc1coc2ccccc2c1=O 254392396 KGWQVNHYKNAPJL-UHFFFAOYSA-N 454.655 7.505 50 10 JKGE CCCOc1ccc(C(=O)Oc2ccc(C=NNC(=O)c3ccc(OCC)cc3)cc2OCC)cc1 254394024 VWKXHRLTUNWCNP-UHFFFAOYSA-N 490.556 5.256 50 10 JKGE CCCCCCCCCCCCCCCCCC(=O)NN=Cc1ccc(OCc2ccccc2)cc1 254400347 KQYBBAZENWXTNG-UHFFFAOYSA-N 492.748 8.977 50 10 JKGE ClCc1cc(Br)cc(Br)c1OCc1ccc(Cl)c(Cl)c1 312777325 MRDYHONZRLLSLL-UHFFFAOYSA-N 459.392 6.836 50 10 JKGE C[C@@H]([C@@H]1CCN(Cc2ccccc2)C1)n1c(CCCl)nc2cc(I)ccc21 313041807 RMKSAGCLLKQFAJ-FUHWJXTLSA-N 493.820 5.505 50 10 JKGE CC(C)(C)OC(=O)N1C[C@H](c2cc(Br)ccc2Br)[C@@H](CCl)C1 382695118 UDJJNQPRIUCRAP-GWCFXTLKSA-N 453.602 5.401 50 10 JKGE C[C@@H]1CCC[C@@H](CC(CBr)(CBr)c2ccc(Br)cc2)C1 383875934 ZAALACRWSSOMTP-ZIAGYGMSSA-N 467.083 6.693 50 10 JKGE C[C@@H](Cl)c1nc2cc(I)ccc2n1C[C@@H]1CCN(Cc2ccccc2)C1 388337609 VMHGWBSJJQIVGS-NVXWUHKLSA-N 479.793 5.463 50 10 JKGE CC(C)(C)[Si](C)(C)OCCc1cccc([C@H]2CCN(S(=O)(=O)c3ccccc3)CCO2)c1 616665293 QSLTWZFXQJGZQY-XMMPIXPASA-N 475.727 5.403 50 10 JKGE Fc1cc(Br)cc(COc2cc(Br)ccc2CBr)c1 691441724 DPVVMWIMJRNXHA-UHFFFAOYSA-N 452.943 5.825 50 10 JKGE COc1ccc2c(c1)nc([C@H](C)Cl)n2CC1(N(Cc2ccccc2)Cc2ccccc2)COC1 705600063 FXQLOYWXESQNNX-NRFANRHFSA-N 476.020 5.816 50 10 JKGE CC(C)c1ccc(C=NNC(=O)c2ccc(CN3CCC(Cc4ccccc4)CC3)cc2)cc1 725442293 KQEXXXKXDAXODF-UHFFFAOYSA-N 453.630 6.029 50 10 JKGE N#C/C(=C/c1ccc(OCc2ccc(Br)cc2)cc1)C(=O)Nc1ccccc1Cl 1084022987 METBDAIAGXFECC-AQTBWJFISA-N 467.750 6.227 50 10 JKGE CCc1cc(Br)ccc1-c1ccc(/C=C(/C#N)C(=O)Nc2ccccc2OC)o1 1084494912 FIKLMNNCEVDLPT-SSZFMOIBSA-N 451.320 5.826 50 10 JKGE O=C(Nc1cc(F)ccc1F)NN(C(=O)c1cc(Cl)cc(Cl)c1)C12CC3CC(CC(C3)C1)C2 1088716804 ORXCOMOCVTXUNZ-UHFFFAOYSA-N 494.369 6.419 50 10 JKGE Cc1c(C(=O)Nc2ccccc2C(F)(F)F)oc2c1C(=NNC(=O)COc1ccccc1)CCC2 1772749624 NPMLAKBEFWSQBW-UHFFFAOYSA-N 485.462 5.095 50 10 JKGE CC(C)(c1ccccc1)c1ccc(OCC(=O)NN=Cc2ccccc2OCc2ccccc2)cc1 1772753735 GEBBCEBFXOZSNX-UHFFFAOYSA-N 478.592 6.121 50 10 JKGE CCOc1ccc2ccccc2c1C=NNC(=O)CCCOc1ccc(C)cc1Br 1772755596 NKQDFZBTMZJXIV-UHFFFAOYSA-N 469.379 5.619 50 10 JKGE O=C(CC(c1ccccc1)c1ccccc1)NNC(=O)c1ccc(-c2ccc3ccccc3c2)s1 1860391513 LGFVTZINVCTAAU-UHFFFAOYSA-N 476.601 6.552 50 10 JKGE C=CCOc1ccccc1[C@@H]1C(C#N)=C(N)Oc2c1c(-c1ccccc1)nn2Cc1ccccc1F 1865691100 JDHGEAXQQWZXGS-RUZDIDTESA-N 478.527 5.520 50 10 JKGE CCCCOc1ccc([C@H]2C(C#N)=C(N)Oc3c2c(-c2ccccc2)nn3-c2ccccc2)cc1 1865692185 KDWMXCFSXNEIDN-VWLOTQADSA-N 462.553 5.936 50 10 JKGE CCCn1nc(C(F)(F)F)c2c1OC(N)=C(C#N)[C@@H]2c1ccc(OCc2ccc(C)cc2)c(OC)c1 1865694860 DIPZOLXPDNQIPY-NRFANRHFSA-N 498.505 5.426 50 10 JKGE N#CC1=C(N)Oc2c(c(-c3ccccc3)nn2Cc2c(F)cccc2Cl)[C@@H]1c1cccs1 1865698366 RJJIZGXZQAMPTA-FQEVSTJZSA-N 462.937 5.671 50 10 JKGE N#CC1=C(N)Oc2c(c(C(F)(F)F)nn2Cc2ccc(Cl)c(Cl)c2)[C@@H]1c1ccc(F)cc1 1865708043 MODFXTNJGWQIEK-MRXNPFEDSA-N 483.252 5.614 50 10 JKGE CCCc1nn(Cc2ccc(Cl)c(Cl)c2)c2c1[C@H](c1cccc(C)c1)C(C#N)=C(N)O2 1865711245 UAGQICKAZFFSPN-OAQYLSRUSA-N 453.373 5.717 50 10 JKGE COCCOc1ccc(/C=C(\C#N)C(=O)Nc2ccc(C)cc2-c2cc(F)ccc2OC)cc1 1866214140 TWQIIBRPKSMKLN-HMMYKYKNSA-N 460.505 5.381 50 10 JKGE CC(C)[C@H](C(=O)N[C@H](C)C(=O)Nc1ccc(SC#N)cc1)c1ccc(Cl)c(Cl)c1 1866984308 IJXZKHQQYLFBFR-YJYMSZOUSA-N 450.391 5.450 50 10 JKGE C[C@H]1CN(c2cc(Nc3ccc(SC#N)cc3)nc(-c3ccccc3)n2)C[C@@H](c2ccc(F)cc2)O1 1868364605 ARKHXJLXTCKDDC-DFBJGRDBSA-N 497.599 6.566 50 10 JKGE Cc1ccc(S(=O)(=O)NC/C(O)=C(\C#N)c2nc(-c3ccc(C(C)(C)C)cc3)cs2)cc1 1872750423 DUEXVAAPGLWAGD-XDOYNYLZSA-N 467.616 5.187 50 10 JKGE CCc1cccc(C)c1N1C[C@@H](/C(O)=C(\C#N)c2nc(-c3ccc(C(C)C)cc3)cs2)CC1=O 1872751980 JQHDFWWTBDSGPO-PCRNYRQLSA-N 471.626 6.650 50 10 JKGE C=CCOc1ccccc1OC/C(O)=C(\C#N)c1nc(-c2cc(C(C)(C)C)ccc2OC)cs1 1872752010 ZGIDFTIRCSTOAW-XDOYNYLZSA-N 476.598 6.553 50 10 JKGE CCCCOc1ccc(/C(O)=C(\C#N)c2nc(-c3ccc(OC)cc3OC)cs2)cc1OCC 1872755585 VEJKWTMJLVTVGM-QQTULTPQSA-N 480.586 6.355 50 10 JKGE N#C/C(=C(/O)[C@@H]1CC(=O)N(Cc2ccccc2)C1)c1nc(-c2ccc3ccccc3c2)cs1 1873940912 NANSNBOPIPNPAR-BQSZEUOTSA-N 451.551 5.805 50 10 JKGE Cc1c(Br)sc([C@H](Br)[C@@H]2C[C@H]2Br)c1Br 1877356126 LKJCOZNWSBHYBT-WYDQCIBASA-N 467.846 5.801 50 10 JKGE Cl[C@@H](c1cc(Br)ccc1OCc1ccccc1)c1cnsc1Br 1900454214 IWWIQTYDNUGTGD-INIZCTEOSA-N 473.617 6.575 50 10 JKGE COc1cc(C)c([C@@H](Br)c2nc(C)sc2Br)cc1Br 1901630999 USUAGWDDCNLONF-LLVKDONJSA-N 470.024 5.778 50 10 JKGE O=C(O)[C@@H]1CN(C(=O)OCC2c3ccccc3-c3ccccc32)C[C@H]1CCCC[C@@H]1CCSS1 1906085537 LKEQONLYQCBGPY-KHCICDEESA-N 497.682 6.282 50 10 JKGE O=C(c1cc(Cl)ccc1Br)N(Cc1ccccc1)[C@H](CBr)C1CC1 1915313052 LYWXYQRTYXZTKC-GOSISDBHSA-N 471.620 5.918 50 10 JKGE Cc1c(Cl)cccc1[C@H](Br)c1sc(Br)c(C)c1Br 1922954413 NYBBGNFGCWBSSS-NSHDSACASA-N 473.455 7.028 50 10 JKGE Clc1c(Br)sc(Br)c1[C@H](Br)[C@@H]1[C@H]2CCOC[C@H]21 1923072349 OIYHLIHYQKDWFV-LENIQADQSA-N 465.432 5.645 50 10 JKGE Cl[C@H](Cc1ccncc1Br)c1scc(Br)c1Br 1924069455 VVYYTVHVPRZMGM-SECBINFHSA-N 460.416 5.953 50 10 JKGE Cc1ccc(Cl)c([C@@H](Br)c2sc(Br)cc2Br)c1 1925502727 RTHSMIKWJUXZBQ-LLVKDONJSA-N 459.428 6.719 50 10 JKGE CN(CCN(Cc1ccccc1)c1ccc(Br)cc1CCl)Cc1ccccc1 1931965599 PFULWOGNLDSBKG-UHFFFAOYSA-N 457.843 6.327 50 10 JKGE Brc1cnccc1C[C@@H](Br)c1cscc1OCc1ccccc1 1939519503 AWAAPVDHKBZMFP-MRXNPFEDSA-N 453.199 6.163 50 10 JKGE Cc1sc(C)c([C@@H](Br)c2csc(Br)c2Br)c1C 1945189553 SZMMKSAPTXYKIR-JTQLQIEISA-N 459.066 6.744 50 10 JKGE CO[C@@H]1C[C@]2([C@H](Br)c3c(Br)sc(Br)c3Cl)C[C@H]12 1951245771 JWTAUHFPIHSMTJ-HNQRLQTDSA-N 465.432 5.788 50 10 JKGE C[C@](CCCCC[C@@H]1CCSS1)(NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)O 1951706490 BMAYACMZXLWDGV-WXTAPIANSA-N 485.671 6.473 50 10 JKGE BrCc1cc(Br)c(OC[C@H]2C[C@H]2Br)c(Br)c1 1991502416 JUTDJXQZZNPBEX-HTQZYQBOSA-N 477.816 5.269 50 10 JKGE Brc1cc([C@@H](Br)c2cc(C3CC3)c(Br)s2)ns1 2007642420 BEHLOEBJCXYSCF-SNVBAGLBSA-N 458.038 6.091 50 10 JKGE Cc1c([C@H](Br)c2cc(Br)c(Cl)s2)c(Br)nn1C 2014560571 QWYRIZDHOKCKFH-MRVPVSSYSA-N 463.420 5.453 50 10 JKGE CCOC(=O)c1c(C)[nH]c(C(=O)C(C#N)=Cc2cn(-c3ccccc3)nc2-c2cccs2)c1C 2040447827 XEQNBSGSHRAVAF-UHFFFAOYSA-N 470.554 5.512 50 10 JKGE Brc1cc(Br)c([C@H](Br)[C@H]2C[C@@H]2C2CCCCC2)s1 2079392485 KSTBGZROYAXRSL-GBIKHYSHSA-N 457.069 6.926 50 10 JKGE CC(C)(C)C[C@H](CBr)NC(=O)c1c(Br)cccc1Br 2094091927 ZMYUSJROZBGZBK-SECBINFHSA-N 456.016 5.141 50 10 JKGE Cc1ncc(Oc2c(CBr)ccc(Br)c2Cl)cc1Br 2098108094 BAXIUPMFDFZRFX-UHFFFAOYSA-N 470.386 6.256 50 10 JKGE FC1(F)[C@@H]2CC(CBr)(Cc3ccc(Br)cc3Br)C[C@H]21 2107635522 YOVNZPCUMALTTE-GHMZBOCLSA-N 458.966 5.811 50 10 JKGE BrC[C@@]12CCC[C@H]1N(c1ncc(Br)cc1Br)CCC2 2108954963 YVQOPBWGFJNCBH-OCCSQVGLSA-N 453.016 5.141 50 10 JKGE Fc1cccc(C[C@H](CBr)Cc2cccc(Br)c2Br)c1 2148749327 BLOBQMYPGLNOBP-LBPRGKRZSA-N 464.998 6.147 50 10 JKGE Fc1cc(Br)c([C@H](Cl)c2cccc(Br)c2Br)c(F)c1F 2148752666 PEYPEPYQENGXRD-LLVKDONJSA-N 493.342 6.720 50 10 JKGE C[C@@H]1CC[C@H](O[C@@](C)(CI)c2ccccc2Br)[C@H](C)C1 2152467049 FJRAWLPJPWNAMT-OMNBBPDLSA-N 451.186 5.941 50 10 JKGE Cc1cc(Br)sc1[C@H](Br)c1cc(C(F)(F)F)ccc1Br 2156074999 NRFXKSUNWXQDGC-LLVKDONJSA-N 492.980 7.085 50 10 JKGE COc1cccc(CBr)c1OCc1cc(Br)ccc1Br 2175141799 KDHMBYUNFWGNAS-UHFFFAOYSA-N 464.979 5.694 50 10 JKGE CCC1CCC([C@H](Br)c2c(C)c(Br)cc(C)c2Br)CC1 2201074087 PZMIGIUNQDJBJN-FVKWTLKZSA-N 467.083 7.481 50 10 JKGE Cc1cc([C@@H](Br)c2c(C)c(Br)cc(C)c2Br)ccc1F 2201076268 XPRKXUJGWJMJGG-MRXNPFEDSA-N 464.998 6.760 50 10 JKGE Brc1ccc([C@H](Br)C23CC4CC(CC(C4)C2)C3)c(Br)c1 2203687941 RUMWXOXRDQFHCM-QDIKRATPSA-N 463.051 6.864 50 10 JKGE CC[C@@H](C)c1ccc([C@H](Cl)c2ccc(Br)cc2I)cc1 2207274267 ZSAIHMJVHPUIFX-DIFFPNOSSA-N 463.584 6.895 50 10 JKGE Fc1cc(Br)c(Br)cc1[C@H](Br)C1CC(Br)C1 2210477959 MHOCCRSXNJITLF-TUXAIXRJSA-N 479.807 5.960 50 10 JKGE Cc1cc([C@H](Br)c2ccc(C)c(I)c2)c(Cl)cc1F 2224621554 FPVDAWLSAYGKGW-OAHLLOKOSA-N 453.520 6.185 50 10 JKGE Cc1cc(Br)c([C@H](Br)[C@@H]2C[C@H]2C2CCCC2)c(C)c1Br 2235611592 KWQOFUABVCMONL-OGHNNQOOSA-N 465.067 7.091 50 10 JKGE Cc1cc(Br)c([C@H](Br)c2cc(Br)c3c(c2)CCCO3)s1 2237633563 NHEIIJGWBMBNAM-CYBMUJFWSA-N 481.047 6.391 50 10 JKGE COc1ccc([C@@H](Br)c2ccoc2Br)c(Br)c1Cl 2256324769 FUPHNVVFTHBSKT-SECBINFHSA-N 459.359 5.951 50 10 JKGE COc1ccc([C@@H](Br)c2ncsc2Br)c(Br)c1Cl 2256327509 OTLVICUIXOFSJN-MRVPVSSYSA-N 476.415 5.814 50 10 JKGE Cc1sc([C@@H](Br)c2cc(Br)c(F)cc2Cl)cc1Br 2258100813 CFHORFYBVNAWGN-LBPRGKRZSA-N 477.418 6.858 50 10 JKGE Cn1ncc(Cl)c1[C@@H](Br)Cc1cc(Br)cc(Br)c1 2263515058 KBGVNLAQFHPOOF-JTQLQIEISA-N 457.391 5.277 50 10 JKGE CC(F)(F)CCC[C@H](Br)c1c(F)cc(Br)c(F)c1Br 2272846781 KJUYLAIMMJADSE-LURJTMIESA-N 470.924 6.751 50 10 JKGE Cc1ccc(Cl)cc1[C@H](Br)Cc1cc(Br)cc(Br)c1 2277957240 WVUBGFMUFCXNTD-OAHLLOKOSA-N 467.426 6.852 50 10 JKGE Fc1cc(Br)c(F)c(Br)c1[C@H](Br)C1CCC(F)(F)CC1 2288357273 KBSRYDIXVQGZHW-SNVBAGLBSA-N 482.935 6.751 50 10 JKGE CCOc1cc(C=C(C#N)c2ccc([N+](=O)[O-])cc2)ccc1OCCOc1ccc(C(C)(C)C)cc1 2293202260 DOYNLSMJBLCOLN-UHFFFAOYSA-N 486.568 6.813 50 10 JKGE COc1cccc(NC=C(C#N)c2nc(-c3cc4cc(Br)ccc4oc3=O)cs2)c1 2295891516 CBBMGVREUKZZLM-UHFFFAOYSA-N 480.343 5.664 50 10 JKGE CC1=NN(c2ccc(Br)cc2)C(=O)C1=CNc1cc(Cl)c(SC#N)cc1Cl 2297511369 FXWMGEYEXWLZNJ-UHFFFAOYSA-N 482.190 6.048 50 10 JKGE O=C(c1ccc(Cl)cc1I)N(Cc1ccccc1)[C@@H](CCl)C1CC1 2301796615 NEOHZHWWWHWUIU-SFHVURJKSA-N 474.169 5.604 50 10 JKGE N#CC(=Cc1ccccc1OCc1ccc2c(c1)OCO2)C(=O)Nc1cccc(Cl)c1Cl 2313571069 MPBDLXDYGNHMAS-UHFFFAOYSA-N 467.308 5.847 50 10 JKGE Cc1cccc(COc2ccc(Br)cc2C=C(C#N)C(=O)Nc2cc(Cl)ccc2C)c1 2313676844 OMAOUECKOVVQBD-UHFFFAOYSA-N 495.804 6.844 50 10 JKGE CC(C)c1ccc(N2C(=O)[C@@H](Cc3ccccc3)SC2=C(C#N)C(=O)NCc2ccco2)cc1 2314592714 AFRBVRJMVJEFCV-XMMPIXPASA-N 471.582 5.146 50 10 JKGE CCCCCOc1ccc(C=C2C(=O)N(Cc3ccc(C)cc3)C(=O)C(C#N)=C2C)cc1OC 2314616702 HUYBCHCZFQIKSM-UHFFFAOYSA-N 458.558 5.365 50 10 JKGE CCCCCOc1ccc(C=C2C(=O)N([C@@H](C)c3ccccc3)C(=O)C(C#N)=C2C)cc1OC 2314618677 RQJNRTDZSKOYMM-FQEVSTJZSA-N 458.558 5.618 50 10 JKGE CCCCCCOc1ccc(C=C(C#N)C(=O)Oc2ccc(C=CC#N)cc2OC)cc1OC 2314792632 BWELTRVPLFCNSF-UHFFFAOYSA-N 460.530 5.712 50 10 JKGE Fc1c(Br)cc(Cl)c([C@H](Br)[C@H]2C[C@@H]2C(F)F)c1Br 2315450606 FWXJDJZDMRTVMO-MSIVUJLLSA-N 471.336 6.341 50 10 JKGE CC(C)(C)OC(=O)N1CCC(CI)(OC[C@@H]2CC[C@H]2C(C)(C)C)CC1 2320190372 WMSDIYZXBVJRIX-JKSUJKDBSA-N 465.416 5.280 50 10 JKGE N#CC(=CN1CCN(C(c2ccccc2)c2ccccc2)CC1)C(=O)Nc1ccccc1C(F)(F)F 2324297924 QPHBTSCDMQWNSU-UHFFFAOYSA-N 490.529 5.459 50 10 JKGE CCc1cccc(C)c1NC(=O)C(C#N)=CN1CCN(C(c2ccccc2)c2ccccc2)CC1 2325165200 YIOVAYLHFQVBJZ-UHFFFAOYSA-N 464.613 5.311 50 10 JKGE C[C@H](Br)[C@H]1CCCN(Cc2ccc(I)c(Br)c2)C1 2325215349 YDZATSODIVZHPG-JQWIXIFHSA-N 487.017 5.049 50 10 JKGE Cc1ccc(CBr)c(OCc2nc(Br)cs2)c1Br 2327555423 ZUGVESCGLHBVEV-UHFFFAOYSA-N 455.997 5.450 50 10 JKGE Brc1cccc(CN2CC[C@H]3CC[C@H](Br)[C@@H]2C3)c1Br 2330962959 JPRMDNNSGGWZGJ-OSMZGAPFSA-N 452.028 5.350 50 10 JKGE CCc1ccc(-c2csc(C(C#N)=C(O)c3ccc4c(c3)C(=O)N(C(C)(C)C)C4=O)n2)cc1 2331245546 WBMVGJAQZCHWBV-UHFFFAOYSA-N 457.555 5.717 50 10 JKGE CCOC(=O)c1ccc(N2C[C@@H](C(O)=C(C#N)c3nc(-c4ccc(CC)cc4)cs3)CC2=O)cc1 2331245688 JURCRPDRZOBMOA-FQEVSTJZSA-N 487.581 5.395 50 10 JKGE Cc1ccc(C)c(-c2csc(C(C#N)=C(O)Cc3ccc(OCc4ccccc4)cc3)n2)c1 2331319414 QGKSIVCCHPJWIT-UHFFFAOYSA-N 452.579 7.041 50 10 JKGE CC(C)c1csc(C(C#N)=C(O)CCCCCCCCCCN2C(=O)c3ccccc3C2=O)n1 2331328759 ITDNQWAXZKTQIM-UHFFFAOYSA-N 479.646 6.866 50 10 JKGE CCOc1ccc(OCC)c(-c2csc(C(C#N)=C(O)COc3c(C)ccc(C)c3C)n2)c1 2331376462 GQSNKNAWHHZQLJ-UHFFFAOYSA-N 464.587 6.404 50 10 JKGE COc1ccc(-c2csc(C(C#N)=C(O)[C@H]3CC(=O)N(Cc4ccccc4)C3)n2)c2ccccc12 2331406406 JOWLMCIFXHIYNY-IBGZPJMESA-N 481.577 5.813 50 10 JKGE CCOc1cc(C=C(C#N)c2nc(-c3cccc([N+](=O)[O-])c3)cs2)ccc1OCc1ccccc1 2331414547 OHEYXJMDKRYCFS-UHFFFAOYSA-N 483.549 6.760 50 10 JKGE Cc1ccc(C)c(-c2csc(C(C#N)=Cc3cc(Br)cc(Br)c3O)n2)c1 2331445737 HNNXEMOYAZRKRC-UHFFFAOYSA-N 490.220 6.722 50 10 JKGE COc1cc(C=C(C#N)c2nc(-c3ccc(F)c(F)c3)cs2)ccc1OCCc1ccccc1 2331462661 BKJDDSCWNARQSO-UHFFFAOYSA-N 474.532 6.783 50 10 JKGE C[C@H]1OC2([C@H](Br)c3c(Cl)cc(Br)c(F)c3Br)CC1C2 2337086719 PFNNSEILQPAIKJ-MGYHHOBMSA-N 477.393 6.008 50 10 JKGE Cc1cc(Br)c(F)c(Br)c1[C@H](Br)[C@@H]1CC[C@H]2C[C@@H]2C1 2339650775 JDELXUATKDSLHR-DCJFZGGZSA-N 455.003 6.531 50 10 JKGE Cc1cc(Br)c(F)c(Br)c1[C@@H](Br)[C@]12C[C@H](CCO1)C2 2339686328 YGAPPKSSSAEKRL-WZYXQFPFSA-N 456.975 5.664 50 10 JKGE C[C@@H]1CCC[C@](CBr)(OCc2c(Br)cccc2Br)C1 2340604749 XTWRMGONXYXPGZ-ABAIWWIYSA-N 455.028 6.072 50 10 JKGE C[C@](CI)(O[C@H]1CC[C@@H]2[C@H]1C2(F)F)c1ccccc1Br 2358842736 JULYOXXQHFJABL-YXCITZCRSA-N 457.096 5.160 50 10 JKGE Fc1c(Br)cc(Cl)c([C@H](Cl)C(F)(F)[C@@H]2CCOC2)c1Br 2362221972 BRUKYWOWGFATGJ-GCXOYZPQSA-N 456.911 5.956 50 10 JKGE Fc1ccc(C(F)F)c([C@@H](Br)c2ccc(Br)cc2Br)c1 2363686239 FSKRSAXUEBUSBM-ZDUSSCGKSA-N 472.924 6.773 50 10 JKGE Cc1cc(C)c([C@H](Cl)c2c(Br)c(Br)nn2C)c(C)c1Br 2364064092 OCQDJGKPZVKEHX-LBPRGKRZSA-N 485.445 5.961 50 10 JKGE CC1CCC2(CC1)[C@H](Br)C[C@H]2Oc1cc(Br)cc(Br)c1 2364103231 HTOQNJAAMXRNOO-AFXUSDCHSA-N 467.039 6.323 50 10 JKGE FC(F)(F)CC1CCC([C@@H](Br)c2cc(Br)sc2Br)CC1 2381922802 FDJDHPGFVDTLOE-OIAXGBPSSA-N 499.028 7.468 50 10 JKGE CC(C)(C)c1ccc(OCC(=O)NNC(=O)/C=C/c2cccc3ccccc23)c(Br)c1 12403507 ZKXUWTVXFBJMAG-SDNWHVSQSA-N 481.390 5.139 50 10 JKGE N#C/C(C(=O)N1CCCCC1)=C1\S[C@H](Cc2cccc(Cl)c2Cl)C(=O)N1c1ccccc1 13563873 UIZJAQUIKXFPMS-CTNNYUBMSA-N 486.424 5.432 50 10 JKGE CC(C)OC(=O)c1c(NC(=O)/C(C#N)=C\c2ccc(-c3ccc(F)cc3)o2)sc2c1CCCC2 33428905 DNPZAKXONVZBAD-LGMDPLHJSA-N 478.545 6.137 50 10 JKGE N#C/C(=C\c1ccc(-c2cc(Cl)cc(Cl)c2)o1)C(=O)Nc1cccc(C(F)(F)F)c1 33567660 FOJLTACEJZFKCF-MDWZMJQESA-N 451.231 6.818 50 10 JKGE COc1cc(/C=C2/C(=O)N(Cc3ccccc3)C(=O)C(C#N)=C2C)ccc1OCc1ccc(C)cc1 38606024 CFXVRKXBTWTJQF-MFKUBSTISA-N 478.548 5.375 50 10 JKGE COc1ccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)COc4cc(C)c(Cl)c(C)c4)ccc32)cc1 38650370 XVRLVZJSVHLJAR-VWLOTQADSA-N 490.943 5.168 50 10 JKGE COc1ccccc1C(=O)Oc1ccc2c(c1)OC(N)=C(C#N)[C@@H]2c1ccc(Cl)cc1Cl 38655140 OLBCKQYVLOCDFO-JOCHJYFZSA-N 467.308 5.439 50 10 JKGE CC(C)(C)c1ccc(C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@H]3c2cccc3ccccc23)cc1 38657634 DTORCZDKVCYHCF-NDEPHWFRSA-N 474.560 6.575 50 10 JKGE C=CCOc1ccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)COc4cccc(Cl)c4)ccc32)cc1 38658287 PBNCEGDRNAZGSY-SANMLTNESA-N 488.927 5.107 50 10 JKGE C=CCOc1ccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4cccc(OCC)c4)ccc32)cc1OC 38681135 JQEKPEPVUFREFI-MHZLTWQESA-N 498.535 5.096 50 10 JKGE CCOc1cc(/C=N/NC(=O)CCCOc2ccc(Cl)cc2Cl)cc(Br)c1O 39724877 GFAFAJXBANMGMC-FOKLQQMPSA-N 490.181 5.170 50 10 JKGE Cc1cccc(Oc2nc3ccccn3c(=O)c2/C=C(/C#N)C(=O)Nc2cccc(Cl)c2)c1C 39858789 BDWBNCCZUYUWFH-AQTBWJFISA-N 470.916 5.303 50 10 JKGE O=C(CCCc1c(-c2ccc3ccccc3n2)[nH]c2ccc(Cl)cc12)NNC(=O)c1ccncc1 39867474 IAUIIGQHLZYXBX-UHFFFAOYSA-N 483.959 5.215 50 10 JKGE C/C(=N\NC(=O)c1ccc(OCc2ccc(Cl)cc2Cl)cc1)c1ccc2ccccc2c1 48573902 DCTBEILOOOMJGE-STBIYBPSSA-N 463.364 6.880 50 10 JKGE N#C/C(=C/c1ccccc1OCc1cccc(C(F)(F)F)c1)C(=O)Nc1sccc1C#N 96438438 QRZMTANXXQICGB-WQRHYEAKSA-N 453.445 5.763 50 10 JKGE CCOC(=O)/C(C#N)=C\c1ccc(OC(=O)/C=C\c2ccc(OCc3ccccc3)cc2)c(OCC)c1 98027890 SEEHHVLCEPDSJD-QTQIPLSPSA-N 497.547 5.753 50 10 JKGE Cc1ccc(N2C(=O)[C@H](Cc3ccc(F)cc3)S/C2=C(/C#N)C(=O)NCc2ccccc2)cc1C 101241331 XALBWJIPMVLYHG-UZEPBSNMSA-N 485.584 5.185 50 10 JKGE CCCCCCCOc1ccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4ccco4)ccc32)cc1 101377826 WCDFOLPAACEGIQ-SANMLTNESA-N 472.541 6.066 50 10 JKGE COc1ccc(C)cc1[C@@H](Br)c1cc(Br)sc1Br 104036816 PQQNBZVUKDYHNK-GFCCVEGCSA-N 455.009 6.074 50 10 JKGE Cc1cc(Br)c([C@H](Br)CC[C@@H]2CCCCO2)cc1Br 128760290 KLDDNMFTJYTPDJ-WCQYABFASA-N 455.028 6.305 50 10 JKGE COc1cccc(CO[C@@](C)(CI)c2ccccc2Br)c1 161904017 VRLPRZGGAADYAE-KRWDZBQOSA-N 461.137 5.325 50 10 JKGE Cc1ccc(C(=O)N[C@H](NC(=S)Nc2ccc(Cl)cc2Cl)C(Cl)Cl)cc1 198698415 CRBNCIYYHLPNSZ-OAHLLOKOSA-N 451.206 5.148 50 10 JKGE CCCCCOc1ccc(/C=C\C(=O)Oc2cccc(/C=C(\C#N)C(=O)OCC)c2)cc1OC 206679740 KOHRAEJDPDWSBD-UDKPTJMWSA-N 463.530 5.353 50 10 JKGE CCCCNC(=O)/C(C#N)=C\c1ccc(OC(=O)/C=C/c2ccc(OCCC(C)C)c(OC)c2)cc1 207154564 XMKUUSSGBNXERV-DWXOLIOPSA-N 490.600 5.562 50 10 JKGE CCOC(=O)c1c(NC(=O)/C(C#N)=C\c2ccc(OC)c(OC(C)C)c2)sc2c1CC[C@@H](CC)C2 209406704 IQAYFTLZBUUCSV-UEXNTNOUSA-N 496.629 5.781 50 10 JKGE C=CCN1C(=O)C(C#N)=C(C)/C(=C/c2cn(-c3ccccc3)nc2-c2ccc(SCC)cc2)C1=O 214353330 KDKZMULGLWRYMN-JLPGSUDCSA-N 480.593 5.430 50 10 JKGE Brc1ccc(I)c([C@@H](Br)Cc2ccsc2)c1 232476569 VDZMUCPDNPPLAS-NSHDSACASA-N 471.983 5.794 50 10 JKGE Cc1cccc([C@@H](Cl)c2cc(Br)cc3c2OCC3)c1I 235997019 FMMODKHPKDUMTR-CQSZACIVSA-N 463.540 5.625 50 10 JKGE Fc1cc(Br)c(Cl)cc1[C@H](Cl)c1cc(Br)cc(Br)c1 236232081 HBFFCQXGBWVEKO-CYBMUJFWSA-N 491.807 7.095 50 10 JKGE COc1ccc(C(=O)Oc2cccc(C=NNC(=O)COc3ccc(-c4ccccc4)cc3)c2)cc1 254486263 ZCHPGTQGEZMODH-UHFFFAOYSA-N 480.520 5.111 50 10 JKGE C[C@H](Cl)c1nc2cc(I)c(F)cc2n1[C@@H](C)CN(C)Cc1ccccc1 311413298 CPJYYCSDSDOFGI-KBPBESRZSA-N 485.772 5.773 50 10 JKGE O=C(N[C@H](CBr)C1CCCCC1)c1ccc(Br)cc1Br 386079462 BPKISIXKKLMGPZ-CQSZACIVSA-N 468.027 5.285 50 10 JKGE Cc1ccc(Br)cc1[C@@H](Br)c1c(Br)cc(F)c(F)c1F 398741370 QUKSXDSLCVYRCJ-GFCCVEGCSA-N 472.924 6.422 50 10 JKGE CC[C@@H](CC(F)(F)F)[C@H](Br)c1cc(Br)sc1Br 402600827 CVLOPCHGOMJADV-XNCJUZBTSA-N 458.963 6.688 50 10 JKGE Cc1cccc(C[C@@H](CBr)Cc2cc(Cl)ccc2I)c1 405537446 PNNROPQYYBZDOZ-CQSZACIVSA-N 463.584 6.049 50 10 JKGE Cc1cc(Br)cc(CBr)c1OCCc1ccc(Br)cn1 695705174 MFTZXOOAJSOMLT-UHFFFAOYSA-N 463.995 5.431 50 10 JKGE COc1cc(F)c(Br)cc1[C@H](Br)Cc1ccccc1Br 709558588 CZIRCJAOBHMARX-GFCCVEGCSA-N 466.970 6.038 50 10 JKGE COc1ccc(Oc2ccc(CBr)c(Br)c2)cc1I 712918902 GQQQVGYACHMIOS-UHFFFAOYSA-N 497.952 5.750 50 10 JKGE O=C(NC1(CBr)CCCCCCC1)c1cc(Br)c(Br)s1 713448779 FXIRIXXPBNTJRM-UHFFFAOYSA-N 488.083 5.881 50 10 JKGE Brc1cc([C@H](Br)[C@@H]2CCC[C@@H]3CCCC[C@H]32)sc1Br 714453765 AIRNAEUDPKGUPS-ICUOPCATSA-N 471.096 7.316 50 10 JKGE COc1cc(C=NNC(=O)c2cc3cc(Br)ccc3o2)ccc1OCc1ccccc1 1083921619 AZVNAZACJYGTLP-UHFFFAOYSA-N 479.330 5.547 50 10 JKGE COc1cccc(/C=C(/C#N)C(=O)Nc2ccccc2)c1OCc1ccc(Cl)c(Cl)c1 1084053210 DRULLWHNPPQOTO-AQTBWJFISA-N 453.325 6.127 50 10 JKGE CCCOc1ccc(C=NNC(=O)c2ccc(CSCc3ccccc3)cc2)cc1OCC 1084203745 GHAUWTSGIVAMBA-UHFFFAOYSA-N 462.615 6.071 50 10 JKGE O=C(CSCc1ccccc1)NN=C1C(=O)N(C(c2ccccc2)c2ccccc2)c2ccccc21 1084369124 PUFNUKVWRNDXLD-UHFFFAOYSA-N 491.616 5.577 50 10 JKGE COc1ccc(Cl)cc1-n1c(C)cc(/C=C(\C#N)C(=O)NCCc2c[nH]c3ccccc23)c1C 1084642544 DZTXOSCUIPCWNZ-FYJGNVAPSA-N 472.976 5.503 50 10 JKGE CCc1ccc(OCC(=O)NN=Cc2ccc3c(c2)c2ccccc2n3CC)c(Br)c1 1084643351 LQBUVHCMIKPUDE-UHFFFAOYSA-N 478.390 5.668 50 10 JKGE Cc1c(C(=O)Oc2cccc3ccccc23)oc2c1C(=NNC(=O)COc1ccccc1)CCC2 1772748488 AOFZVEBISAWCLK-UHFFFAOYSA-N 468.509 5.196 50 10 JKGE N#CC1=C(N)Oc2c(c(-c3ccccc3)nn2Cc2ccc(Cl)cc2)[C@H]1c1ccc(Cl)cc1 1865683085 FSADVMAMUFKEDR-QFIPXVFZSA-N 473.363 6.123 50 10 JKGE COc1ccc(-c2nn(-c3cccc(Cl)c3)c3c2[C@H](c2ccccc2F)C(C#N)=C(N)O3)cc1 1865683506 LIDSJNXAQNUIBN-JOCHJYFZSA-N 472.907 5.559 50 10 JKGE CCCc1nn(-c2ccccc2Cl)c2c1[C@H](c1c(Cl)cccc1Cl)C(C#N)=C(N)O2 1865685314 GTZXIPZGHWZNRK-SFHVURJKSA-N 459.764 6.003 50 10 JKGE CCCOc1ccc([C@@H]2C(C#N)=C(N)Oc3c2c(-c2ccccc2)nn3Cc2ccc(F)cc2)cc1 1865692275 AKMSJCTYSJBYQF-RUZDIDTESA-N 480.543 5.744 50 10 JKGE CCn1nc(-c2ccccc2)c2c1OC(N)=C(C#N)[C@@H]2c1ccc(OCc2ccc(Cl)cc2)cc1 1865694880 DQEQNNBZRRLHED-DEOSSOPVSA-N 482.971 6.021 50 10 JKGE CCCCCOc1ccc([C@H]2C(C#N)=C(N)Oc3c2c(CC)nn3Cc2cccc(F)c2)cc1OC 1865696661 PRPCSHGHQOVGLB-VWLOTQADSA-N 490.579 5.429 50 10 JKGE Cc1nn(Cc2ccccc2)c2c1[C@@H](c1ccccc1OCc1ccc(Cl)cc1)C(C#N)=C(N)O2 1865701435 VPHHNZSGRCQEHO-SANMLTNESA-N 482.971 5.690 50 10 JKGE CCc1nn(-c2ccccn2)c2c1[C@H](c1ccccc1OCc1ccccc1Cl)C(C#N)=C(N)O2 1865702881 HMURTANMFQFQJL-XMMPIXPASA-N 483.959 5.280 50 10 JKGE COc1ccc([C@H]2C(C#N)=C(N)Oc3c2c(-c2ccccc2)nn3-c2ccc(C)cc2)c(OC)c1 1865708338 UOEJXEZRPVFJRI-DEOSSOPVSA-N 464.525 5.083 50 10 JKGE N#CSc1ccc(NC(=O)[C@@H](NC(=O)c2cc(-c3ccccc3)on2)c2ccccc2)cc1 1866825509 MWDKIHBZUPKMRX-QHCPKHFHSA-N 454.511 5.025 50 10 JKGE CC(C)c1nc(Nc2ccc(SC#N)cc2)cc(N2CC(=O)N3CC(C)(C)c4ccccc4[C@@H]3C2)n1 1868231626 MQSNEVIOJFSSIT-QHCPKHFHSA-N 498.656 5.598 50 10 JKGE COc1cc(/C=C(\C#N)c2ccccc2[N+](=O)[O-])ccc1OC(=O)c1ccc(Cl)cc1Cl 1872729639 WMQXBYIMIUHVQS-XNTDXEJSSA-N 469.280 6.194 50 10 JKGE CCCCc1ccc(N2C[C@@H](/C(O)=C(\C#N)c3nc(-c4ccc(CC)cc4)cs3)CC2=O)cc1 1872744289 KZNZZVGRCQFGRY-ULLSICJUSA-N 471.626 6.561 50 10 JKGE Cc1ccc(-c2csc(/C(C#N)=C(\O)c3ccc(N4C(=O)c5ccccc5C4=O)cc3)n2)cc1 1872749199 GQDIQRNHJDROFT-GYHWCHFESA-N 463.518 5.869 50 10 JKGE F[C@@H]([C@@H](Br)c1ccc(OCc2ccccc2)cc1Br)C(F)(F)F 1899853366 SZNWNRXFSODQGL-GJZGRUSLSA-N 456.071 6.365 50 10 JKGE Cl[C@@H](c1ccc(Br)s1)c1ccc(OCc2ccccc2)cc1Br 1899857331 AUZXPFNJRCPNDX-GOSISDBHSA-N 472.629 7.180 50 10 JKGE Cc1nsc(Br)c1[C@@H](Br)c1cc2c(cc1Br)OCC2 1912933673 SVXBJLLHVIZQLC-LBPRGKRZSA-N 468.008 5.396 50 10 JKGE Cc1cc(C(=O)N(Cc2ccccc2)[C@H](CBr)C2CC2)ccc1Br 1915275834 HYUOQYUAYVWPAA-LJQANCHMSA-N 451.202 5.573 50 10 JKGE CN(C[C@H](Br)COCc1ccccc1)C(=O)c1ccc(Br)cc1Cl 1916384004 UZLGULCYXXFVND-HNNXBMFYSA-N 475.608 5.155 50 10 JKGE Clc1ccc(I)c(CN2CC[C@]3(CCC[C@@H]3Br)C2)c1 1918965464 UOKFJNKLNREBGW-LSDHHAIUSA-N 454.577 5.084 50 10 JKGE COc1ccc([C@H](Br)c2sc(Br)c(C)c2Br)cc1C 1922933525 XAERKXYLQBXOIO-LBPRGKRZSA-N 469.036 6.383 50 10 JKGE CC(C)(C1CCCC1)[C@H](Br)c1c(Br)sc(Br)c1Cl 1923067962 KYFWUVSJJWFOTP-SNVBAGLBSA-N 479.503 7.579 50 10 JKGE Fc1ccc([C@H](Br)Cc2ccncc2Br)c(I)c1 1924054113 WJIOQZHNLJZOMC-LLVKDONJSA-N 484.932 5.267 50 10 JKGE Cc1cocc1[C@H](Br)c1c(Br)sc(Br)c1Br 1924613783 UHOZUFZCDNPWOZ-ZETCQYMHSA-N 493.840 6.421 50 10 JKGE FC(F)(F)CC1([C@H](Br)c2c(Cl)sc(Br)c2Cl)CCC1 1925554591 MCRNVVUAAYXRGU-SSDOTTSWSA-N 460.968 7.376 50 10 JKGE Cc1cc([C@H](Br)c2c(Cl)sc(Br)c2Cl)oc1Br 1925565545 DOWOQKPTNMUYFC-LURJTMIESA-N 483.834 6.966 50 10 JKGE CC(C)C[C@H](Cl)c1c(Br)c(Br)cc(Br)c1Br 1995048160 OPKFWHMRUZJBNU-QMMMGPOBSA-N 498.278 7.063 50 10 JKGE C[C@@H]1C[C@H](C[C@H](Br)c2c(Br)sc(Br)c2Cl)CO1 1997172518 DHMOCJRRXSDJDO-QYNIQEEDSA-N 467.448 6.178 50 10 JKGE C[C@]1([C@@H](Br)c2c(Br)sc(Br)c2Cl)COCCO1 2021896515 OCTIOYMGZJMLIM-OIBJUYFYSA-N 469.420 5.168 50 10 JKGE C[C@@H]1[C@H](CO[Si](C)(C)C(C)(C)C)O[C@H](OCc2ccccc2)[C@H](C)[C@@H]1OCc1ccccc1 2037814278 RQBNHKQEDQLOIT-PLDGYBJXSA-N 470.726 6.808 50 10 JKGE CC(C)(C)OC(=O)NCCSSCCN[C@@H]1CCN(C(=O)OC(C)(C)C)[C@@H](C2CCC2)C1 2073716869 CPBXNUMOYWYJDU-RTBURBONSA-N 489.748 5.050 50 10 JKGE Cc1cc([C@H](Br)c2cccc(Br)c2Br)c(C)cc1F 2092335675 PMDRPNRPUQUHOM-CQSZACIVSA-N 450.971 6.452 50 10 JKGE CCn1ncc(Br)c1C[C@H](CBr)c1ccc(Br)cc1 2094300550 ZGPNZDFYBHQLOI-LLVKDONJSA-N 451.000 5.149 50 10 JKGE C[C@H]1C[C@H](CCOc2c(Br)cc(Br)cc2CBr)CO1 2103051766 UEPHLBVIJYVLKY-UWVGGRQHSA-N 457.000 5.300 50 10 JKGE C[C@H]1Cc2cc([C@@H](Br)c3cc(Br)cs3)cc(Br)c2O1 2115939503 FAJWWAUSEWKHIT-WPPNPWJKSA-N 467.020 6.081 50 10 JKGE BrC[C@]1(Cc2cc(Br)ccc2Br)CCO[C@H]1C1CC1 2118525879 YVQFNXHMBLTJBM-LSDHHAIUSA-N 453.012 5.334 50 10 JKGE CC(C)(C)OC(=O)N1CCC(CI)(OC[C@H]2C[C@@H]2C2CCCCC2)CC1 2135787742 DFKSZTOWUFPQBB-QZTJIDSGSA-N 477.427 5.424 50 10 JKGE CC[C@@]1([C@@H](Br)c2c(C)c(Br)cc(C)c2Br)CC1(F)F 2136374159 JOETVZYSDAITDC-STQMWFEESA-N 460.982 6.700 50 10 JKGE Cc1c(Br)ccc([C@H](Br)[C@]23CCC[C@@H]2OCC3)c1Br 2138865602 MYCKKSTYFPBVND-QEJZJMRPSA-N 453.012 5.915 50 10 JKGE CCC[C@@H]1CN(C(=O)c2scc(Br)c2Br)C[C@@H]1CBr 2140768345 SRINHMGIMWNIHA-BDAKNGLRSA-N 474.056 5.156 50 10 JKGE BrCCC[C@@H]1CCCCN1Cc1ccc(Br)cc1Br 2141714221 GEXZBASQQHCSRX-AWEZNQCLSA-N 454.044 5.741 50 10 JKGE Clc1cccc([C@H](CBr)Cc2ccc(I)c(Cl)c2)c1 2142938748 BCZOCVWHPJWJFN-LBPRGKRZSA-N 469.975 6.319 50 10 JKGE C[C@H]1CCC[C@@](CBr)(NC(=O)c2cccc(Br)c2Br)C1 2148770508 PBJOEEAMNGROHW-ZUZCIYMTSA-N 468.027 5.285 50 10 JKGE C[C@H]1CN(Cc2ccccc2)CC[C@H]1n1c(CCl)nc2cc(Br)c(Cl)cc21 2159871869 NOQZZJPHROBCSY-IFXJQAMLSA-N 467.238 6.274 50 10 JKGE Clc1ccc(Br)cc1C[C@@H](CBr)Cc1ccc(Br)cc1 2166832665 PPUIZRLZOWTCJX-LBPRGKRZSA-N 481.453 6.661 50 10 JKGE C[C@]1(COc2c(Br)cc(CBr)cc2Br)CCCC1(F)F 2167936785 ZWDSMOBVCOFERY-CYBMUJFWSA-N 476.981 6.311 50 10 JKGE COc1cncc(COc2c(Br)cc(CBr)cc2Br)c1 2171937273 JCBDTWOLQZXFJA-UHFFFAOYSA-N 465.967 5.089 50 10 JKGE Fc1cc(CBr)cc(F)c1OCc1cc(Br)ccc1Br 2175143302 ZRIZAZXVLNISQV-UHFFFAOYSA-N 470.933 5.964 50 10 JKGE C[C@H](Cl)c1nc2ncccc2n1-c1ccc(I)cc1Br 2175997726 MLPPQMAELHMRQP-QMMMGPOBSA-N 462.516 5.087 50 10 JKGE COc1cc(Br)c(C(=O)N(Cc2ccccc2)[C@@H](CBr)C2CC2)cc1OC 2189046093 ZSVMYYRHAMFXNX-SFHVURJKSA-N 497.227 5.282 50 10 JKGE C[C@@]1(CC(CBr)(CBr)c2ccc(Br)cc2)CSCCO1 2201226329 HNOMSIAUOAEYGI-CQSZACIVSA-N 487.095 5.389 50 10 JKGE Cn1nc(Br)c([C@@H](Br)c2c(Cl)sc(Br)c2Cl)n1 2214373409 QSOWLIYZWQVSAC-VKHMYHEASA-N 484.826 5.193 50 10 JKGE Cc1ccc(I)c([C@@H](Cl)c2sc(Cl)cc2Br)c1 2217420684 HXYOUWBKRSZZRJ-LLVKDONJSA-N 461.977 6.405 50 10 JKGE Cc1cc(Br)c([C@H](Br)c2csnc2Br)c(C)c1Cl 2217612714 HOCHRPUAWCAQEG-SNVBAGLBSA-N 474.443 6.423 50 10 JKGE C[C@]1(C(F)F)C[C@H]1[C@@H](Br)c1cc(Br)c(Br)cc1F 2218602186 DCMYWTVJWCZVJP-IAOBUDJDSA-N 450.918 6.078 50 10 JKGE Cc1c(Br)sc([C@H](Cl)c2cc(Br)ccc2Br)c1C 2218787743 MLBHTBUSHBDGNQ-LLVKDONJSA-N 473.455 6.981 50 10 JKGE CC(C)(C)C(C)(C)[C@H](Br)c1c(Br)cc(Cl)c(Cl)c1Cl 2224302474 LZAZVCMBCXWACP-GFCCVEGCSA-N 451.457 7.918 50 10 JKGE C[C@H](Cl)c1nc2cccc(Br)c2n1C[C@H]1CC1(Br)Br 2224800208 FOPWAOQVCDSGDD-JGVFFNPUSA-N 471.418 5.605 50 10 JKGE Fc1cc(F)c(C[C@H](Br)c2cccc(Br)c2)c(Br)c1 2225600036 QULLHILBXCMSAA-LBPRGKRZSA-N 454.934 6.169 50 10 JKGE Cc1cc([C@H](Br)c2sc(C)c(Br)c2C)c(C)cc1Br 2226086576 QRYVVQLPGDOSBI-AWEZNQCLSA-N 467.064 6.991 50 10 JKGE Cc1cc(Br)c([C@H](Cl)c2cccc(Br)c2)c(C)c1Br 2227346859 FWQXUHQPOGUCDI-OAHLLOKOSA-N 467.426 6.919 50 10 JKGE COc1cccc([C@@H](Cl)Cc2sc(Br)c(Br)c2Br)c1 2230063107 WZEPRWXHAFQVTG-VIFPVBQESA-N 489.454 6.567 50 10 JKGE Cc1cc(Br)c([C@@H](Br)c2c(F)cccc2Cl)c(C)c1Br 2235607129 YIQQWYSEPUITEF-OAHLLOKOSA-N 485.416 7.105 50 10 JKGE Fc1cc(Br)c(F)c(Br)c1[C@H](Br)C1CC(Br)C1 2250784931 NPCNBWIMGBOTAS-PACJAATDSA-N 497.797 6.099 50 10 JKGE Cc1cc([C@H](Cl)c2ccc(Cl)c(I)c2)c(C)cc1Br 2268281676 UUADCNXABIAQAJ-OAHLLOKOSA-N 469.975 6.652 50 10 JKGE Cc1cc(Br)c([C@@H](Br)[C@H]2CCC(F)(F)C2)c(C)c1Br 2277734493 MWTCQTMZVDAYHC-ZANVPECISA-N 460.982 6.700 50 10 JKGE COc1c([C@@H](Br)c2cccc(Br)c2)cc(Br)c(C)c1C 2284589042 IQYYSKNJTFQYFV-HNNXBMFYSA-N 463.007 6.321 50 10 JKGE COc1cc(C)c(Br)c(C)c1[C@H](Br)c1ccccc1OCc1ccccc1 2285076024 ZEJDMMZJUUUHKZ-HSZRJFAPSA-N 490.235 7.138 50 10 JKGE COC(=O)c1c(NC(=O)C(C#N)=Cc2ccc(-c3ccc(Cl)c([N+](=O)[O-])c3)o2)sc(C)c1C 2293038856 AVGFNKISCUMWBF-UHFFFAOYSA-N 485.905 5.519 50 10 JKGE N#CC(=Cc1cn(Cc2cccc3ccccc23)c2ccccc12)C(=O)Nc1cccc(Cl)c1Cl 2294156124 QWTGRMMFSJDCDM-UHFFFAOYSA-N 496.397 7.695 50 10 JKGE C[C@@H](CCCCCBr)NC(=O)Cc1cc(Br)cc(Br)c1 2295311712 NZGUCUHTLYLCNK-NSHDSACASA-N 470.043 5.214 50 10 JKGE CC1(C)C([C@H](Br)c2cc(Br)ccc2OCc2ccccc2)C1(C)C 2299536147 WSOAWBFRVGFIGH-GOSISDBHSA-N 452.230 7.146 50 10 JKGE ClC[C@@H](Br)[C@H](CCl)OCc1cc(Br)cc(Br)c1 2300178745 LRVQBZPPRAKFKR-MNOVXSKESA-N 469.826 5.338 50 10 JKGE Cc1cc([C@H](Br)c2ccc(OCc3ccccc3)cc2Br)ccc1F 2314439821 KHXUUMSXHALNIM-NRFANRHFSA-N 464.172 6.960 50 10 JKGE N#CC(=Cc1ccc(-n2nc(-c3ccccc3)cc2-c2ccccc2)cc1)c1nc2ccccc2s1 2314482823 XATUEDBUKGPJJN-UHFFFAOYSA-N 480.596 7.880 50 10 JKGE CC1(C)OCCC[C@H]1[C@@H](Br)c1ccc(OCc2ccccc2)cc1Br 2314499806 HECXWFJRXMVOPY-ICSRJNTNSA-N 468.229 6.669 50 10 JKGE Cc1ccc(NC(=O)C(C#N)=C2S[C@H](Cc3ccccc3F)C(=O)N2c2ccc(C(C)C)cc2)cc1 2314591971 ISVBNQFISKRHKI-AREMUKBSSA-N 499.611 6.323 50 10 JKGE Fc1c(Br)cc(Cl)c([C@H](Br)c2ccc(Cl)o2)c1Br 2315445328 KWBWKAUZCQORAX-SECBINFHSA-N 481.768 6.735 50 10 JKGE Cc1nc(Br)c([C@H](Cl)c2ccc(OCc3ccccc3)cc2Br)n1C 2315598087 ABHWOURXQPICSS-QGZVFWFLSA-N 484.619 6.161 50 10 JKGE Fc1c(Cl)cccc1C[C@H](Br)c1sc(Cl)cc1I 2316601452 SPBWCANAGIFYQD-ZETCQYMHSA-N 479.967 6.477 50 10 JKGE N#CC(=Cc1cccc(OC(=O)c2cc(C(F)(F)F)cc(C(F)(F)F)c2)c1)c1cccc(Cl)c1 2318356361 WZUJMRJNPZXODH-UHFFFAOYSA-N 495.806 7.661 50 10 JKGE COc1ccc(OCCCC(=O)Oc2ccc(C=C(C#N)c3ccc(OC)c(OC)c3)cc2)cc1 2320506090 BKNNKPSYCJFCST-UHFFFAOYSA-N 473.525 5.541 50 10 JKGE Cc1ccc2nc(-c3ccc(NC=C(C#N)C(=O)NCc4ccc(Cl)cc4)cc3)sc2c1 2324807874 XKKSNMNXJDNZBL-UHFFFAOYSA-N 458.974 6.061 50 10 JKGE Brc1cc(C[C@@H]2CCCCCC[C@H]2Br)ccc1I 2325175685 PGXRDHUDDYZWTE-QWHCGFSZSA-N 486.029 6.330 50 10 JKGE Cc1cc(Br)c([C@H](Br)C[C@H]2CCC[C@@H]3C[C@@H]32)cc1Br 2330817005 UDFMMXNCOMFZNP-LSSIXWDNSA-N 451.040 6.782 50 10 JKGE COc1cc(C=C(C#N)c2ccc(Cl)cc2F)ccc1OCc1c(Cl)cccc1Cl 2331063875 KJFKWEYPZNEQIB-UHFFFAOYSA-N 462.735 7.438 50 10 JKGE CCc1cccc(C)c1N1C[C@H](C(O)=C(C#N)c2nc(-c3ccc4c(c3)CCCC4)cs2)CC1=O 2331239947 XNTREZVLQVHACO-HSZRJFAPSA-N 483.637 6.406 50 10 JKGE N#CC(=C(O)CN1C(=O)c2ccccc2C1=O)c1nc(-c2ccc(Cl)cc2Cl)cs1 2331250923 AKLVDDMQEDNCDQ-UHFFFAOYSA-N 456.310 5.206 50 10 JKGE N#CC(=C(O)c1ccc(N2CCCC2)c([N+](=O)[O-])c1)c1nc(-c2ccc(Br)cc2)cs1 2331260349 XKIVLLWRQDLPLG-UHFFFAOYSA-N 497.374 6.031 50 10 JKGE N#CC(=C(O)C=Cc1ccc(OCc2ccccc2)cc1)c1nc(-c2ccc3c(c2)OCO3)cs1 2331335824 QHPRGHAVTCUNTE-UHFFFAOYSA-N 480.545 6.624 50 10 JKGE CCOc1ccc(CC(O)=C(C#N)c2nc(-c3ccc(OCC)cc3OCC)cs2)cc1 2331386984 LCIMTVWTKRWZOZ-UHFFFAOYSA-N 450.560 6.042 50 10 JKGE CCOc1ccc(-c2csc(C(C#N)=C(O)COc3ccc(Cl)cc3)n2)c(OCC)c1 2331389016 HJDMLFLJJGJSPL-UHFFFAOYSA-N 456.951 6.133 50 10 JKGE COc1cc(C)c(-c2csc(C(C#N)=C(O)c3cc([N+](=O)[O-])cc([N+](=O)[O-])c3C)n2)cc1C 2331403697 DQINPPIPRFKJNA-UHFFFAOYSA-N 466.475 5.510 50 10 JKGE CCOc1cc(C=C(C#N)c2nc(-c3cc(C)ccc3C)cs2)ccc1OCC(=O)N(CC)CC 2331445695 BQLWOUJDROTLPI-UHFFFAOYSA-N 489.641 6.137 50 10 JKGE COc1cc(C=C(C#N)c2nc(-c3ccc(C(C)(C)C)cc3)cs2)ccc1OCCc1ccccc1 2331453423 RXVVWHJBRKAOIM-UHFFFAOYSA-N 494.660 7.802 50 10 JKGE N#CC(=Cc1ccccc1OCc1ccc(Cl)cc1)c1nc(-c2c[nH]c3ccccc23)cs1 2331461646 BAJCNHHMJGRVTA-UHFFFAOYSA-N 467.981 7.588 50 10 JKGE ClCc1ccc(OCc2ccc(Cl)c(I)c2)c(Br)c1 2337271246 UQYCFUCLJJPYQC-UHFFFAOYSA-N 471.947 6.025 50 10 JKGE COc1c([C@@H](Br)c2cnsc2Br)cc(Br)c(C)c1C 2337307792 NAMIKPWCALFEBU-LLVKDONJSA-N 470.024 5.778 50 10 JKGE Clc1cc(I)c([C@@H](Br)[C@@H]2CC3(CCCCC3)CO2)s1 2338779665 XZPWJUPPFQAXOA-JQWIXIFHSA-N 475.617 6.182 50 10 JKGE CC(C)[C@H](Cl)C(C)(C)CN(C)c1ncc(I)cc1Br 2340437172 XHWKZTSEDCTQQP-LBPRGKRZSA-N 459.597 5.175 50 10 JKGE CC[C@H](CC(F)(F)F)[C@@H](Br)c1c(F)cc(Cl)c(Br)c1Cl 2360432494 CSOMMZUADWEVRJ-MLUIRONXSA-N 460.918 7.310 50 10 JKGE COCc1csc([C@H](Br)c2c(F)cc(Cl)c(Br)c2Cl)c1 2360497014 LWIYKBMNWWBFSQ-LBPRGKRZSA-N 462.993 6.587 50 10 JKGE Fc1c(Br)cc(Cl)c([C@@H](Br)[C@H]2C[C@@H]3CCC[C@@H]3C2)c1Br 2362241106 UATSSNDUTDAQDR-ZZIUEJKTSA-N 489.448 7.266 50 10 JKGE Clc1cc(I)c([C@H](Br)[C@@H]2[C@H]3CCc4ccccc4[C@@H]32)s1 2364122113 MDCSOYCCVOIXTG-BSLXNSKLSA-N 479.608 6.418 50 10 JKGE CCN(C[C@](C)(CBr)OCc1c(F)cc(OC)cc1Cl)C(=O)OC(C)(C)C 2364642871 ZLKDCVKWDNMSMX-IBGZPJMESA-N 468.791 5.415 50 10 JKGE CCCCCCC[C@@H](Br)c1c(C)cc(Br)c(OC)c1Br 2365189636 WWGSKCZXGQXVPS-GFCCVEGCSA-N 471.071 7.325 50 10 JKGE Clc1cc(Cl)cc(CC[C@@H](Br)c2cc(Br)ccc2Cl)c1 2366887872 GWMVOYDADHDRPO-CQSZACIVSA-N 457.420 7.478 50 10 JKGE CCOc1ccc([C@H](Br)c2cc(Br)cc(Br)c2)c(F)c1 2367459720 NHLYSRSQQFIJCZ-OAHLLOKOSA-N 466.970 6.234 50 10 JKGE C[C@@H]1CC2CC([C@@H](Br)c3c(Cl)cc(Br)c(F)c3Br)(C2)O1 2368129330 URSNDVDLSQXJRE-QJSBWAJCSA-N 491.420 6.398 50 10 JKGE O=C(c1csc(Br)c1Br)N1C[C@@H]2C[C@@H](CBr)C[C@@H](C2)C1 2369321221 AMTQDYDHQYVBCP-OWUUHHOZSA-N 486.067 5.156 50 10 JKGE Cc1cccc(C(=O)Nc2ccc(C(=O)N/N=C/c3cccc(OCc4ccccc4)c3)cc2)c1 12577381 DSVCVCSDYFZQPL-NDZAJKAJSA-N 463.537 5.590 50 10 JKGE CCCCOc1ccc(C(=O)NNC(=O)c2sc3ccccc3c2Cl)cc1Br 14041255 JIKWUXPTCRSFLP-UHFFFAOYSA-N 481.799 5.571 50 10 JKGE COc1cc(/C=N/NC(=O)[C@H](C)Sc2nc3ccccc3s2)ccc1OCc1ccccc1 27521201 SBJMJVKKLLHXNQ-AEIQVQRHSA-N 477.611 5.515 50 10 JKGE CCCSc1ccc(-c2nn(-c3ccccc3)cc2/C=C(\C#N)C(=O)Nc2ccc(C)cc2)cc1 35445874 NPHCXJBSHNRHJN-PTGBLXJZSA-N 478.621 6.896 50 10 JKGE C=CCN1C(=O)C(C#N)=C(C)/C(=C\c2cn(-c3ccccc3)nc2-c2ccc(SCC)cc2)C1=O 38607651 KDKZMULGLWRYMN-LFVJCYFKSA-N 480.593 5.430 50 10 JKGE CCCOc1ccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4cccc(OCCC)c4)ccc32)cc1 38650699 WEMFJSBJNUSTDX-HHHXNRCGSA-N 484.552 5.702 50 10 JKGE Cc1cc(OCC(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@@H]3c2cccc(Cl)c2)ccc1Cl 38651221 FARAKZHPKQCGQJ-XMMPIXPASA-N 481.335 5.504 50 10 JKGE Cc1ccccc1OCC(=O)Oc1ccc2c(c1)OC(N)=C(C#N)[C@H]2c1ccc(Cl)cc1Cl 38655235 OIKHKFMYWCNBEP-DEOSSOPVSA-N 481.335 5.504 50 10 JKGE CCOc1cccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)Cc4ccc(Cl)cc4)ccc32)c1 38685007 XSOUVMASXISOPC-RUZDIDTESA-N 460.917 5.105 50 10 JKGE CCCCC1CCC(C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@H]3c2ccc(C(C)C)cc2)CC1 38687107 NXRSONMUGMIFEO-VKDLEMAVSA-N 472.629 6.930 50 10 JKGE Cc1c(C(=O)Nc2ccc(Oc3ccccc3)cc2)oc2c1/C(=N/NC(=O)c1ccccc1O)CCC2 40826318 BLDTXQLOWRBTKM-UQRQXUALSA-N 495.535 5.809 50 10 JKGE O=C(CSc1nnc(-c2ccccc2)s1)N/N=C/c1cccc(OCc2ccccc2)c1 40947658 NRFIAVKQRKFFCK-MFKUBSTISA-N 460.584 5.027 50 10 JKGE O=C(CC[C@H](O)c1ccccc1)N/N=C\c1cc(Cl)c(OCc2cccc(F)c2)c(Cl)c1 58889425 BWXDFDZATQYQPP-OADPBGPJSA-N 475.347 5.675 50 10 JKGE COc1cc(/C=C(/C#N)c2nnc3n2CCCCC3)ccc1OC(=O)COc1ccc2ccccc2c1 83923502 OKPDZXZITGQCJK-HAHDFKILSA-N 494.551 5.215 50 10 JKGE C=CCN1C(=O)C(C#N)=C(C)/C(=C\c2cn(-c3ccccc3)nc2-c2c(C)cc(C)cc2C)C1=O 101230969 AYSJZBTYYMKCOP-BUVRLJJBSA-N 462.553 5.243 50 10 JKGE CCCCCCCOc1ccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4cccc(C)c4)ccc32)cc1 101377608 RQMQPVNHGSIIMO-LJAQVGFWSA-N 496.607 6.782 50 10 JKGE FC(F)Oc1ccccc1[C@H](Br)c1cc(Br)ccc1Br 109844344 XYCKJJSSAVDZAG-ZDUSSCGKSA-N 470.933 6.297 50 10 JKGE CCOc1ccc([C@@H](Br)c2cc(F)cc(Br)c2)c(Br)c1 123741173 YYKZFUUHRAELTF-HNNXBMFYSA-N 466.970 6.234 50 10 JKGE FC(F)Oc1cccc([C@H](Br)c2cc(Br)c(Br)s2)c1 128197814 JUOCRMWGEJAMLS-JTQLQIEISA-N 476.962 6.359 50 10 JKGE Cc1cc(Br)c([C@H](Cl)c2cc(Br)ccc2F)cc1Br 128707690 BUUMQOPGDUREDJ-AWEZNQCLSA-N 471.389 6.750 50 10 JKGE COc1cc([C@@H](Br)c2c(F)cccc2Br)c(OC)cc1Br 134300501 ZGHAIZPXBODGMV-OAHLLOKOSA-N 482.969 5.852 50 10 JKGE Brc1ccc([C@H](Br)c2csc3c(Br)cccc23)o1 163380586 LCRDKNVCNKWRSF-GFCCVEGCSA-N 450.977 6.504 50 10 JKGE COc1ccc(/C=C\C(=O)Oc2ccc(/C=C(\C#N)c3nc(-c4ccc(F)cc4)cs3)cc2)cc1 210607190 WOKFXSCSQGDHFH-BJKNQNEUSA-N 482.536 6.641 50 10 JKGE CCCC(CBr)(CBr)Cc1cc(Br)cc2c1OCC2 228557036 HYBMTPGXSOLMPR-UHFFFAOYSA-N 455.028 5.503 50 10 JKGE Cc1cc(Br)c([C@H](Br)c2ccc(Br)cc2C(F)(F)F)s1 229518547 IBLOPTAYDXDCCL-LLVKDONJSA-N 492.980 7.085 50 10 JKGE Fc1c(Cl)cccc1COc1c(Br)cc(CBr)cc1Br 236154193 YAQOUBINKKPKIT-UHFFFAOYSA-N 487.388 6.478 50 10 JKGE CC[C@H]1CCc2sc(C(=O)NN=Cc3ccc(N4CCC(c5ccccc5)=N4)cc3)cc2C1 254351857 RQCGABMOABOCJB-IBGZPJMESA-N 456.615 5.641 50 10 JKGE CCCCCC[C@@H](C)O[C@]1(CI)CCCN(C(=O)OC(C)(C)C)C1 303741205 JRAWKJRLZYODDW-APWZRJJASA-N 453.405 5.567 50 10 JKGE CCCC[C@H](CC)CO[C@@](C)(CI)CN(CC)C(=O)OC(C)(C)C 303741923 VWGIMMXQFAAPAA-LPHOPBHVSA-N 455.421 5.670 50 10 JKGE C[C@H](Cl)c1nc2cc(I)ccc2n1[C@@H]1CCN(Cc2ccccc2)C1 310624266 CICQWYQAJHNUNN-WMLDXEAASA-N 465.766 5.388 50 10 JKGE C[C@@H](Cl)c1nc2cc(I)c(F)cc2n1CCN(C)Cc1ccccc1 386799570 BKMPFTZQJODPKF-CYBMUJFWSA-N 471.745 5.212 50 10 JKGE C[C@@H](Cl)c1nc2cc(I)ccc2n1Cc1ccn(Cc2ccccc2)n1 389615843 WBLDTJRJGIRTQN-CQSZACIVSA-N 476.749 5.234 50 10 JKGE Brc1cc2c(c([C@@H](Br)c3cscc3Br)c1)OCC2 404708501 KZBDYVWNCAAIAW-GFCCVEGCSA-N 452.993 5.692 50 10 JKGE C[C@H]1[C@H](C)CC[C@@]23CC[C@]4(C)[C@](OC2=O)([C@H](F)C[C@@H]2[C@@]5(C)C(C=O)=C[C@@](C)(CO)[C@@H]5CC[C@]24C)[C@H]13 653739191 WXUMSUWHKIBVEA-KXBNEXPFSA-N 486.668 5.669 50 10 JKGE CC1(C)CC[C@@H](CBr)N(C(=O)c2scc(Br)c2Br)C1 705449185 YBTWLHZZFRUMNG-QMMMGPOBSA-N 474.056 5.299 50 10 JKGE Clc1ccccc1C[C@H](Cl)c1ccc(I)c(Br)c1 721615579 RUIRTMUXBOIXKU-ZDUSSCGKSA-N 455.948 6.230 50 10 JKGE Cc1cc(C=NNC(=O)[C@H](C)Sc2ccc(Cl)cc2)c(C)n1-c1ccc(Cl)cc1Cl 1084177890 ODSOBWYLCIWBMX-HNNXBMFYSA-N 480.848 6.685 50 10 JKGE O=C(COc1ccc(Cl)cc1Cl)NN=Cc1ccc(OCc2ccccc2Cl)cc1 1084286896 TUSXNEDOCSQXKD-UHFFFAOYSA-N 463.748 5.755 50 10 JKGE O=C(NN=Cc1ccc(OCc2cccc3ccccc23)cc1)c1cc(Br)ccc1O 1084324294 MLVHENWOCRTQIM-UHFFFAOYSA-N 475.342 5.651 50 10 JKGE CC(=NNC(=O)CCSc1ccc(Cl)cc1)c1cccc(NC(=O)c2ccccc2)c1 1084359497 DGUSDIIWLMPIIW-UHFFFAOYSA-N 451.979 5.615 50 10 JKGE O=C(CC[C@@H](O)c1ccccc1)NN=Cc1ccccc1OCc1ccc(Cl)cc1Cl 1084586691 PIBXDHANVJYLCB-JOCHJYFZSA-N 457.357 5.536 50 10 JKGE COc1ccc(C(C)=NNC(=O)COc2ccc(C(C)(C)CC(C)(C)C)cc2[N+](=O)[O-])cc1OC 1565517606 RRVHWFSVFSSTQR-UHFFFAOYSA-N 485.581 5.245 50 10 JKGE N#CC1=C(N)Oc2c(c(-c3ccccc3)nn2Cc2c(F)cccc2Cl)[C@H]1c1ccccc1O 1865707725 DPXFOIJEGWIJEK-QFIPXVFZSA-N 472.907 5.315 50 10 JKGE CCc1ccc([C@@H]2C(C#N)=C(N)Oc3c2c(C(F)(F)F)nn3Cc2ccc(Cl)c(Cl)c2)cc1 1865709080 NEVOAVMDONZLCK-GOSISDBHSA-N 493.316 6.038 50 10 JKGE Cc1nn(Cc2ccc(Cl)c(Cl)c2)c2c1[C@H](c1ccc(C(F)(F)F)cc1)C(C#N)=C(N)O2 1865710967 MPKPJURLGZUYSN-LJQANCHMSA-N 479.289 5.784 50 10 JKGE N#CC1=C(N)Oc2c(c(C(F)(F)F)nn2Cc2cccc(F)c2)[C@H]1c1ccc(Br)cc1 1865714318 HCYAYKSPCRPVCN-INIZCTEOSA-N 493.258 5.070 50 10 JKGE CSCC[C@@H](NC(=O)C[C@@H](c1ccc(C(C)C)cc1)C(C)C)C(=O)Nc1ccc(SC#N)cc1 1866741009 LJLQMYVYMGMDFW-JWQCQUIFSA-N 497.730 6.389 50 10 JKGE CC[C@@](C)(NC(=O)C[C@H](c1ccc(OC)c(C)c1)C(C)C)C(=O)Nc1ccc(SC#N)cc1 1866772985 WEGGAPPDOYLUNH-BKMJKUGQSA-N 467.635 5.630 50 10 JKGE CCCC[C@@H](NC(=O)[C@@H](c1ccc(Cl)cc1)C1CCCC1)C(=O)Nc1ccc(SC#N)cc1 1867006404 UXJKPDFPTDZONF-DNQXCXABSA-N 484.065 6.501 50 10 JKGE COc1cc2nc(/C(C#N)=C/c3cccc(OC)c3OCc3ccc(F)cc3)nc(O)c2cc1OC 1872727752 XXYSVMQOLMPDPD-WOJGMQOQSA-N 487.487 5.143 50 10 JKGE N#C/C(=C(/O)COc1ccc(Cl)cc1Cl)c1nc(-c2ccc(Br)cc2)cs1 1872746812 ZIRRRPGRQWDZLE-VKAVYKQESA-N 482.186 6.751 50 10 JKGE N#C/C(=C(/O)c1ccc(N2C(=O)c3ccccc3C2=O)cc1)c1nc(-c2cccs2)cs1 1872750587 MCXNXQNWKJHXDK-UZYVYHOESA-N 455.520 5.622 50 10 JKGE COc1cc(OC)c(-c2csc(/C(C#N)=C(O)/C=C/c3ccc(Cl)c(Cl)c3)n2)cc1Cl 1872756472 LLLVIWBTBWQPIF-LCPDLFIJSA-N 493.799 7.294 50 10 JKGE CCCOc1ccc(/C=C(\C#N)c2nc(-c3cc(Cl)ccc3Cl)cs2)cc1OCC 1872795099 NCBXJZGGBRQWON-MHWRWJLKSA-N 459.398 7.369 50 10 JKGE Cc1cccc(C)c1OCCC/C(O)=C(\C#N)c1nc(-c2ccc(-c3ccccc3)cc2)cs1 1873941003 RKVYYSLCXWJBEE-RFBIWTDZSA-N 466.606 7.746 50 10 JKGE C[C@@]1(CCOCc2ccccc2)CCN1S(=O)(=O)c1cc(CCl)sc1Br 1892696117 WUYNZQYGVHZVFN-SFHVURJKSA-N 478.861 5.009 50 10 JKGE Clc1cc([C@@H](Br)c2sc(Cl)cc2I)c(Cl)s1 1900920531 VVLUAUPXPOVOSY-SSDOTTSWSA-N 488.424 6.859 50 10 JKGE Clc1c(Br)sc(Br)c1[C@H](Br)[C@@]12CCCC[C@@H]1C2 1909844460 HQFQTZXXLLARGT-PUQNFTFYSA-N 463.460 6.943 50 10 JKGE Fc1cc(Br)c2nc(CCCl)n(C[C@H]3CCCN3Cc3ccccc3)c2c1 1912692799 MRPALMCTKZOYEX-QGZVFWFLSA-N 450.783 5.384 50 10 JKGE O=C(c1cc(Br)cc([N+](=O)[O-])c1)N(Cc1ccccc1)C1(CBr)CCC1 1915754738 BZVQKABYHSEWLX-UHFFFAOYSA-N 482.172 5.317 50 10 JKGE Cl[C@@H](C[C@H]1C[C@H]2CC[C@H]1C2)c1c(Br)sc(Br)c1Br 1924592530 ZVLXZKJAIULGFI-MAUMQABQSA-N 477.487 7.142 50 10 JKGE Cc1c(Br)cccc1[C@H](Br)c1c(Cl)sc(Br)c1Cl 1925587083 GPAMAMIHMPZTNB-VIFPVBQESA-N 493.873 7.373 50 10 JKGE C[C@H]1COc2ccc([C@H](Br)c3cc(Cl)ccc3I)cc21 1925756908 PXJDCSVTXRUIKR-FVMDXXJSSA-N 463.540 5.925 50 10 JKGE FC(F)C1CC(C[C@H](Br)c2cc(I)cc3c2OCC3)C1 1926999929 MCDLCKDFMUJPBE-RHYVWVDMSA-N 457.096 5.344 50 10 JKGE Clc1c(Br)sc(Br)c1[C@H](Br)[C@@H]1C[C@@H]1C1CCC1 2022291810 PWUNKHLNAXPOTQ-ZXFLCMHBSA-N 463.460 6.799 50 10 JKGE Cc1cc(Cl)c(Br)cc1[C@H](Br)c1nscc1Br 2023703945 GJBVRRCYWHQGKD-JTQLQIEISA-N 460.416 6.114 50 10 JKGE Cn1cc(Br)c([C@@H](Br)c2ccc(Br)cc2Br)n1 2024279241 LMHROMYQTWHLBY-JTQLQIEISA-N 487.815 5.192 50 10 JKGE CC12COC([C@H](Br)c3c(Br)sc(Br)c3Cl)(C1)C2 2025089185 QIPZFBBUBQXSAW-CAZGOSDBSA-N 465.432 5.932 50 10 JKGE Cc1cscc1COc1c(Br)cc(Br)cc1CBr 2028494753 DBJBEOYQQVVEPS-UHFFFAOYSA-N 455.009 6.055 50 10 JKGE Clc1ccc(C[C@H](Br)c2cccc(Br)c2Br)cc1 2031486270 WLYCLYQKGRGULA-ZDUSSCGKSA-N 453.399 6.544 50 10 JKGE CCCc1ccc([C@H](Br)c2c(Br)cccc2Br)s1 2033091456 RBZKALLIUBASLV-AWEZNQCLSA-N 453.037 6.710 50 10 JKGE Clc1c(Br)sc(Br)c1[C@H](Br)[C@H]1CCCC12CCC2 2053378680 SKABSIRMNYMERZ-VXNVDRBHSA-N 477.487 7.333 50 10 JKGE Cc1cc(Br)c(C)c([C@@H](Br)c2cscc2F)c1Br 2081064732 YQEUHGKIVCYFOT-ZDUSSCGKSA-N 457.000 6.513 50 10 JKGE COc1cc(F)c([C@H](Br)c2csnc2Br)cc1Br 2082780072 BBAUHZCPVFTZKQ-JTQLQIEISA-N 459.960 5.300 50 10 JKGE Cc1ccc(Br)cc1[C@@H](Cl)c1ccc(Br)cc1Br 2083329632 GDJNBHNHIVVYID-AWEZNQCLSA-N 453.399 6.611 50 10 JKGE Cl[C@@H](c1cc(I)ccc1Br)c1ncn2ccsc12 2083992645 VFGNRARHHCNGDI-JTQLQIEISA-N 453.530 5.091 50 10 JKGE C[C@H](Cl)c1nc2cc(Br)c(Cl)cc2n1CCCCOCc1ccccc1 2103814734 GWJMLHCGXLUMDS-AWEZNQCLSA-N 456.211 6.749 50 10 JKGE CC(C)(C)[C@]1(CBr)CCN(c2ncc(Br)cc2Br)C1 2104634473 MCUGKCWDCRFDLZ-AWEZNQCLSA-N 455.032 5.244 50 10 JKGE COc1ccc(C)c([C@H](Br)c2c(Br)sc(Br)c2Cl)c1 2109589962 BVEQCXHTPCQPHK-JTQLQIEISA-N 489.454 6.728 50 10 JKGE Brc1cc([C@@H](Br)[C@H]2CC3(CCCCC3)CO2)sc1Br 2109978155 CRVSQRRNYJDCDE-PWSUYJOCSA-N 473.068 6.449 50 10 JKGE Brc1cc(Br)c([C@@H](Br)Cc2ccc3c(c2)CCO3)s1 2112347695 YOMVOJRNFXMDAK-JTQLQIEISA-N 467.020 5.887 50 10 JKGE Cc1c(Cl)cccc1[C@@H](Br)c1ccc(Br)c(C)c1Br 2138851674 LIFWOIQIAHGCIC-OAHLLOKOSA-N 467.426 6.966 50 10 JKGE Oc1nc2ccc([C@@H](Br)c3cccc(Br)c3Br)cc2[nH]1 2148751673 QTKKDJCUDBYXNY-GFCCVEGCSA-N 460.951 5.278 50 10 JKGE CC1(C)C[C@H](n2c(CCl)nc3ccc(F)c(Br)c32)[C@@H]1OCc1ccccc1 2156372554 GMYITNYTMLUBAG-JXFKEZNVSA-N 451.767 6.233 50 10 JKGE COc1c(C)cc(Br)c(C)c1[C@@H](Br)c1cc(C)sc1Br 2157249465 SCPCNFJZOQVDAM-ZDUSSCGKSA-N 483.063 6.691 50 10 JKGE CCCOc1ccc([C@H](Br)c2cn(C)nc2Br)cc1Br 2173180984 AFLUYMPVNMHNPD-ZDUSSCGKSA-N 466.999 5.218 50 10 JKGE ClCc1cc(Cl)cc(Cl)c1OCc1cc(Br)ccc1Br 2175141723 JHBKWFHDYJXOSX-UHFFFAOYSA-N 459.392 6.836 50 10 JKGE CC(C)(C)[C@@H]1CC[C@H](Br)[C@@H](Cc2cc(Br)ccc2Br)C1 2175145592 VUUJUBBDJVKCDN-LNSITVRQSA-N 467.083 6.980 50 10 JKGE CCn1cc(Br)c([C@H](Cl)c2scc(C(F)(F)F)c2Br)n1 2181175373 LMSLPRLSZIBYKS-QMMMGPOBSA-N 452.521 5.837 50 10 JKGE CC(C)(CC(F)F)[C@H](Br)c1cc(Br)c(Br)cc1F 2218596844 IEBVZMQVYLQOEK-LLVKDONJSA-N 452.934 6.468 50 10 JKGE Cc1cc([C@H](Br)c2cc(Br)c(C)s2)cc(C)c1Br 2220200831 ZFWALUAZMDGWLT-AWEZNQCLSA-N 453.037 6.683 50 10 JKGE CC(C)C(CBr)(CBr)Cc1c(Br)sc2ccccc12 2224710498 UTYFDUUUHXEXES-UHFFFAOYSA-N 469.080 6.639 50 10 JKGE Cc1cc(Br)c([C@H](Br)c2c(F)ccc(Cl)c2F)cc1Br 2234941591 LMKAROCUWHNLPY-ZDUSSCGKSA-N 489.379 6.936 50 10 JKGE Clc1cc(Br)ccc1C[C@@H](Cl)c1cc(C2CC2)c(Br)s1 2237459336 ZJAVYSLLTUMAHN-CYBMUJFWSA-N 455.042 7.327 50 10 JKGE Clc1cc(CBr)cc(Cl)c1OC[C@@H]1CC1(Br)Br 2253299974 KUBHBXGQTLAJTL-ZETCQYMHSA-N 467.810 5.773 50 10 JKGE Cc1ccc(I)c([C@H](Br)c2cc(Cl)c(Cl)cc2C)c1 2264373749 WAVHWWALZHHPOF-OAHLLOKOSA-N 469.975 6.699 50 10 JKGE COc1c([C@@H](Br)c2cccc(OCc3ccccc3)c2)cc(Br)c(C)c1C 2284587157 AWRVBSWJGGXENA-QFIPXVFZSA-N 490.235 7.138 50 10 JKGE C=CC[C@]1(CBr)CCCN(Cc2cccc(Br)c2Br)C1 2287725569 RPBUCEWAHBGDHK-MRXNPFEDSA-N 466.055 5.765 50 10 JKGE CC1(C)CCCC[C@H]1[C@@H](Br)c1c(F)cc(Br)c(F)c1Br 2288373009 DJORXOVYVGZTNH-QPUJVOFHSA-N 475.009 7.142 50 10 JKGE N#CC(=Cc1ccc(-c2cc(C(=O)O)ccc2Cl)o1)C(=O)Nc1ccc(Br)cc1 2294171923 JXPUGPRWDZGERN-UHFFFAOYSA-N 471.694 5.606 50 10 JKGE C[C@]1([C@@H](Br)Cc2cc(Br)cc(Br)c2)CCCC(F)(F)C1 2295330030 PYHRMEOKOQBJDD-KBPBESRZSA-N 475.009 6.733 50 10 JKGE Brc1cc2sc([C@@H](Br)c3cc4c(s3)CCOC4)cc2s1 2295518379 VVLYBOWHXBCFFG-AWEZNQCLSA-N 450.242 6.344 50 10 JKGE N#CC(=Cc1cn(Cc2ccccc2)c2ccccc12)C(=O)Nc1sc2c(c1C(N)=O)CCCC2 2296495458 PNQPXXOUCCLZIU-UHFFFAOYSA-N 480.593 5.274 50 10 JKGE COC(=O)c1cc(NC=C(C#N)c2nc(-c3ccc(CC(C)C)cc3)cs2)cc(C(=O)OC)c1 2296763943 JMSJBHJCKWLWER-UHFFFAOYSA-N 475.570 5.558 50 10 JKGE COc1cc(C=C(C#N)c2nc(-c3ccc4ccccc4c3)cs2)cc(Br)c1O 2296790244 ZDOAXQHFCWRNPZ-UHFFFAOYSA-N 463.356 6.504 50 10 JKGE C[C@H](Br)CCCN(C)Cc1ccc(I)c(Br)c1 2306219249 KCOJTQSXRSVYPI-JTQLQIEISA-N 475.006 5.049 50 10 JKGE N#CC(=Cc1ccccc1OCc1ccc(Cl)cc1)C(=O)N1CCN(c2ccccc2)CC1 2313546011 VSPDPODQXALHBW-UHFFFAOYSA-N 457.961 5.175 50 10 JKGE Cc1c(Br)ccc(-c2ccc(C=C(C#N)C(=O)Nc3ccc(Cl)cc3)o2)c1C 2313549567 ZPSJQJNXYXHCMR-UHFFFAOYSA-N 455.739 6.525 50 10 JKGE Cc1c(C=C(C#N)C(=O)NC[C@H]2CCCO2)c2ccccc2n1Cc1ccc(Cl)cc1Cl 2313609619 KRPGTXJCSFLHEJ-HXUWFJFHSA-N 468.384 5.507 50 10 JKGE CCOc1ccc(NC(=O)C(C#N)=Cc2cn(Cc3cccc(Cl)c3)c3ccccc23)cc1 2313724678 SPCSEQZUKROIMB-UHFFFAOYSA-N 455.945 6.287 50 10 JKGE Brc1ccc(OCc2ccccc2)c([C@H](Br)C2CC(C3CCC3)C2)c1 2314438720 AUWLPEKLBNDPCW-RWWKDMOOSA-N 464.241 7.290 50 10 JKGE CCc1ccc([C@H](Br)c2ccc(OCc3ccccc3)cc2Br)cc1 2314448227 GFKIGTAFKLTQAC-QFIPXVFZSA-N 460.209 7.075 50 10 JKGE Brc1cc(OCc2ccccc2)ccc1[C@H](Br)[C@H]1OC[C@@H]2CCC[C@H]12 2314449076 MZJGFFYMYLWURQ-OQRYQMPQSA-N 466.213 6.279 50 10 JKGE Brc1ccc(OCc2ccccc2)c([C@H](Br)C2CC3(C2)CC32CC2)c1 2314492905 YGKYBQCPDFYELU-PWOUQQLPSA-N 462.225 7.044 50 10 JKGE COc1ccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)C=Cc4ccccc4Cl)ccc32)cc1 2314634301 ZQHFDUHKRDGYNY-RUZDIDTESA-N 458.901 5.186 50 10 JKGE C[C@@H](C[C@H](Br)c1c(Cl)cc(Br)c(F)c1Br)C1CC1 2315447691 QTKGPWHWYRLIQK-XPUUQOCRSA-N 463.410 6.876 50 10 JKGE Clc1cccc(Oc2cc(Br)cc(Br)c2)c1CBr 2316835533 GIYCPOAZHWBARH-UHFFFAOYSA-N 455.371 6.552 50 10 JKGE Cc1sc([C@@H](Cl)c2ccc(Cl)cc2I)c(C)c1Br 2317774591 KCWXLUHJNKEEIB-LBPRGKRZSA-N 476.004 6.714 50 10 JKGE CC(C)c1ccc(-c2csc3nc(SCC(=O)NN=Cc4ccc(Cl)cc4)nc(O)c23)cc1 2318356188 KTOJXSBLFBAUAF-UHFFFAOYSA-N 497.045 6.083 50 10 JKGE CC1(C)CC(CBr)(COc2cc(Br)cc(I)c2)C1 2321711987 CCAYKSDTQYFPIB-UHFFFAOYSA-N 488.001 5.634 50 10 JKGE Fc1cc([C@H](Br)c2sc(Br)cc2Br)c(Cl)cc1Cl 2326685729 POTKUPKOVKEQHZ-JTQLQIEISA-N 497.836 7.203 50 10 JKGE CCn1c(C(C#N)=Cc2cccc(OC)c2OCc2ccc(Cl)c(Cl)c2)nc2ccccc21 2331071859 QXEASKKKSQUTCG-UHFFFAOYSA-N 478.379 7.015 50 10 JKGE CCCCOc1ccc(C(O)=C(C#N)c2nc(-c3ccc(F)cc3F)cs2)cc1OCC 2331292755 CUYPJCOHIXPTMV-UHFFFAOYSA-N 456.514 6.616 50 10 JKGE COc1ccc(-c2csc(C(C#N)=C(O)c3cc(C(F)(F)F)cc(C(F)(F)F)c3)n2)cc1F 2331336034 HFNSWYSZZCYYPP-UHFFFAOYSA-N 488.384 6.945 50 10 JKGE COc1ccc(C(O)=C(C#N)c2nc(-c3cc(C(C)(C)C)ccc3OC)cs2)cc1OC 2331349243 CZRVUXHWHGSMJK-UHFFFAOYSA-N 450.560 6.083 50 10 JKGE CC(C)COc1cccc(C(O)=C(C#N)c2nc(-c3ccc(Oc4ccccc4)cc3)cs2)c1 2331358994 NUDLQZKFZLGYKO-UHFFFAOYSA-N 468.578 7.587 50 10 JKGE CC[C@H](C)[C@@H](C(O)=C(C#N)c1nc(-c2c(C)c(C)cc(C)c2C)cs1)N1C(=O)c2ccccc2C1=O 2331366471 YHMFVXVYKXNGQB-MQNRADLISA-N 499.636 6.547 50 10 JKGE COc1ccc(Cl)cc1-c1csc(C(C#N)=C(O)[C@H](C)Oc2ccc(Cl)cc2Cl)n1 2331411120 QHMSSEBLCFVEKE-NSHDSACASA-N 481.788 7.039 50 10 JKGE COc1ccc(-c2csc(C(C#N)=Cc3ccc(OCc4ccccc4Cl)cc3)n2)cc1OC 2331418199 PNIFXADHTXDCFG-UHFFFAOYSA-N 488.996 7.124 50 10 JKGE N#CC(=Cc1cc(Br)ccc1O)c1nc(-c2ccc(Cl)cc2Cl)cs1 2331424655 DKTHVQLHNMAECG-UHFFFAOYSA-N 452.160 6.649 50 10 JKGE Fc1cccc([C@@H](Br)c2c(Cl)cc(Br)c(F)c2Br)c1 2337092392 PQVKEHIBDJMXFO-LLVKDONJSA-N 475.352 6.628 50 10 JKGE CC(C)(CCCl)c1nnc(-c2ccc(I)c(Br)c2)o1 2337175976 GIRLCWDBUYGRBK-UHFFFAOYSA-N 455.521 5.010 50 10 JKGE Clc1ccc(COc2c(Cl)cccc2CBr)cc1I 2337276101 CKLPUCYSDWDFHE-UHFFFAOYSA-N 471.947 6.072 50 10 JKGE Cc1cc(Br)c(F)c(Br)c1[C@H](Br)[C@H]1C[C@@H]1C(C)(C)C 2339651024 LITFIBGGYMRXCO-HOTUBEGUSA-N 457.019 6.777 50 10 JKGE COc1c(Br)cc(C)c([C@@H](Br)c2cscc2F)c1Br 2339657017 SYBYWDQNUAEBQL-NSHDSACASA-N 472.999 6.214 50 10 JKGE COc1cc(Cl)c(CBr)c(N(Cc2ccccc2)[C@H](C)c2cccs2)c1 2340263278 OQDZGJQTHWESCI-OAHLLOKOSA-N 450.829 7.073 50 10 JKGE C[C@](CCl)(Cc1ccc(I)c(Br)c1)C1CCCCC1 2349863736 BCVVONVYOZQFHD-MRXNPFEDSA-N 455.605 6.422 50 10 JKGE COc1ccc(Oc2ccc(C)c(Cl)c2CBr)cc1I 2360728105 NFBAHLCRPCFGCV-UHFFFAOYSA-N 467.528 5.949 50 10 JKGE Brc1ccc(OCc2ccccc2)c([C@@H](Br)c2cccc3c2CCCC3)c1 2361194912 LGNFCOGOHHIGKO-DEOSSOPVSA-N 486.247 7.391 50 10 JKGE CCCc1sc(Br)cc1[C@H](Br)c1cc(Br)ccc1OC 2363269399 SSHRBEDUDXRMKV-OAHLLOKOSA-N 483.063 6.719 50 10 JKGE COc1c(Br)cc(C)c([C@H](Cl)c2scc(Cl)c2Cl)c1Br 2365181756 XLVBHYJVJYKZKZ-NSHDSACASA-N 479.448 7.225 50 10 JKGE COc1c(Br)cc(C)c([C@H](Br)[C@@H]2CCO[C@H](C)C2)c1Br 2365192827 DTTUFWGBPLKAGF-GIPNMCIBSA-N 471.027 5.780 50 10 JKGE COc1c(F)cc([C@@H](Br)c2ccc(Br)cc2Br)cc1F 2370456928 MUKAHWAPVRKGMI-CYBMUJFWSA-N 470.933 5.983 50 10 JKGE CC1CCC([C@@H](CBr)NCc2cc(Br)ccc2Br)CC1 2379758634 PFOUTCSSUGGGGM-ZEPSKSRBSA-N 468.071 5.891 50 10 JKGE Cc1ccc(CCl)c(OCc2cc(I)ccc2Cl)c1Br 2380652870 HJRDWPGAYXVDEG-UHFFFAOYSA-N 485.974 6.333 50 10 JKGE CC(C)(C)c1ccc(OCC(=O)NNC(=O)C(c2ccccc2)c2ccccc2)c(C(C)(C)C)c1 14661658 KSKRGYBYKCAGND-UHFFFAOYSA-N 472.629 5.640 50 10 JKGE CC(C)CCOc1ccc(C(=O)NNC(=O)COc2ccc(Br)cc2C(C)(C)C)cc1 14668270 CGAHWWMTNDQICZ-UHFFFAOYSA-N 491.426 5.012 50 10 JKGE COc1ccc(/C=C(\C#N)c2nc(-c3cc4c(ccc5ccccc54)oc3=O)cs2)cc1OC 27474193 BUPCGJLYGYRZTC-WOJGMQOQSA-N 466.518 6.151 50 10 JKGE N#C/C(C(=O)N/N=C\c1ccc(-c2ccccc2)cc1)=C1/C[C@H](c2ccccc2)c2ccccc21 32601708 GPTFVRJDPXLHPB-KDTHQFGBSA-N 453.545 6.317 50 10 JKGE C/C(=N/NC(=O)c1ccc(COc2cccc3cccnc23)cc1)c1ccccc1C(F)(F)F 33666526 CLOADBZZFANRIG-LJUMEUDFSA-N 463.459 5.987 50 10 JKGE N#C/C(=C/c1cc(Br)ccc1OS(=O)(=O)c1ccccc1)c1nc2ccccc2s1 33745588 OWOMJNYTRUHPOU-VBKFSLOCSA-N 497.395 5.891 50 10 JKGE CCOc1ccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4ccccc4F)ccc32)cc1OCC 38679354 KGEJVPBWEYQGSP-RUZDIDTESA-N 474.488 5.060 50 10 JKGE CCCCCCOc1ccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4ccco4)ccc32)cc1OC 38681989 ZIAJODNXYQXJES-AREMUKBSSA-N 488.540 5.685 50 10 JKGE CCCCCOc1cccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4ccccc4OC)ccc32)c1 38684764 KZNBRLNAGWWGQZ-HHHXNRCGSA-N 484.552 5.702 50 10 JKGE COc1ccccc1[C@H]1C(C#N)=C(N)Oc2cc(OC(=O)c3oc4ccc(Cl)cc4c3C)ccc21 38687253 NBALQNQGAUDQJR-XMMPIXPASA-N 486.911 5.841 50 10 JKGE Cc1cccc(NC(=O)/C(C#N)=C\c2c(Oc3ccc(Cl)c(C)c3)nc3ccccn3c2=O)c1 39858746 MFBQRLWSTRJKMT-JXAWBTAJSA-N 470.916 5.303 50 10 JKGE COc1ccccc1C(=O)NNC(=O)CCCc1c(-c2ccc3ccccc3n2)[nH]c2ccc(F)cc12 39867632 YNBAQBUDPLVBBK-UHFFFAOYSA-N 496.542 5.315 50 10 JKGE CCCCc1ccc(NC(=O)c2oc3c(c2C)/C(=N/NC(=O)c2ccc(OC)cc2)CCC3)cc1 40813799 JAXGEDAQRVSWGX-JJKYIXSRSA-N 473.573 5.662 50 10 JKGE O=C(CSc1c(Cl)c(Cl)c(Cl)c(Cl)c1Cl)N/N=C/c1cccc2ccccc12 59159846 SODREILTADYJIZ-ZNLRHDTNSA-N 492.642 7.349 50 10 JKGE CSc1cccc(N/C(SCc2ccccc2F)=C(\C#N)S(=O)(=O)c2ccccc2)c1 96482160 XHLUZBUGUJCWNQ-FCQUAONHSA-N 470.616 6.059 50 10 JKGE C[C@@H]1CCCC[C@H]1NC(=O)[C@@H](c1ccccc1Cl)N(CCc1ccc(Cl)cc1)C(=O)CCl 97914362 XOERSLACUGJVJE-CUHUQNRHSA-N 495.878 6.040 50 10 JKGE CCCCCCCCCCCCCC(Br)CCCCCCCCCCCCC 103000980 GOSNUZMFMFBNIZ-UHFFFAOYSA-N 459.641 11.152 50 10 JKGE COC(=O)c1sccc1N/C=C(/C#N)C(=O)c1cccc(CSc2ccc(Cl)cc2)c1 106515581 BBZQBICTNMRBAB-LGMDPLHJSA-N 468.987 6.183 50 10 JKGE FC(F)(F)c1ccccc1[C@@H](Br)c1cc(Br)sc1Br 109870192 GUTKUZPULSDTKA-SNVBAGLBSA-N 478.953 6.776 50 10 JKGE Clc1cc(Cl)c(OCCOc2cccc(Br)c2)c(CBr)c1 110377686 SOMUEPUAGNZKGW-UHFFFAOYSA-N 454.973 6.109 50 10 JKGE COc1ccc(Br)cc1[C@@H](Br)c1c(F)cc(Br)cc1F 127638883 JVXZSIOSHHSHES-CQSZACIVSA-N 470.933 5.983 50 10 JKGE CCCCOc1ccc(CCC(=O)Oc2ccc(/C=C(/C#N)C(=O)OCC)cc2OC)cc1OCC 207296980 FZBSIFPQOAYIHE-JWGURIENSA-N 495.572 5.281 50 10 JKGE N#C/C(=C/Nc1ccccc1C(F)(F)F)C(=O)N1CCN(C(c2ccccc2)c2ccccc2)CC1 216486784 ZGBGBYYEXANTEI-ATJXCDBQSA-N 490.529 5.459 50 10 JKGE Fc1cccc(Br)c1[C@@H](Br)c1cc(Br)c(Cl)s1 227847677 ACBKTJFFLFFLNS-JTQLQIEISA-N 463.391 6.550 50 10 JKGE COc1cccc(C[C@@H](Br)c2ccc(I)c(Cl)c2)c1 232386349 BQCSATDUVUCTDJ-CYBMUJFWSA-N 451.529 5.632 50 10 JKGE COc1cc(C)c(Br)cc1[C@@H](Cl)c1ccc(Br)cc1Br 234798560 RDWATGIKSRJQPV-HNNXBMFYSA-N 483.425 6.619 50 10 JKGE COc1ccc([C@H](Br)c2cc(Br)ccc2I)cc1C 234992598 GHAXDOWLARQBNU-HNNXBMFYSA-N 495.980 5.855 50 10 JKGE CC(=NNC(=O)c1csc2c1CCCC2)c1cccc(NC(=O)c2ccc(Cl)s2)c1 252604330 FYUFCHVBRQHLHP-UHFFFAOYSA-N 458.008 5.748 50 10 JKGE Cc1cccc(C(=O)Nc2ccc(C(=O)NN=Cc3ccccc3OCc3ccccc3)cc2)c1 253569525 MKNQSTACVSDPRF-UHFFFAOYSA-N 463.537 5.590 50 10 JKGE CC(=NNC(=O)c1sccc1C)c1cccc(NC(=O)COc2ccc(Cl)cc2C)c1 254420762 WCZCBLXDBSFPOR-UHFFFAOYSA-N 455.967 5.190 50 10 JKGE CC(CCC(C)C)=NNC(=O)CNc1c(Br)cc(Br)cc1Br 254897761 OBENMARYYJIHQO-UHFFFAOYSA-N 498.057 5.314 50 10 JKGE C[C@@H](Cl)c1nc2cnccc2n1-c1cc(I)ccc1Br 312505786 CSZZNEKXDOTJKJ-MRVPVSSYSA-N 462.516 5.087 50 10 JKGE C[C@H]1CN(Cc2ccccc2)C[C@]1(C)Cn1c(CCl)nc2cc(I)ccc21 379979086 JHPPRGDEUFPNDE-KSFYIVLOSA-N 493.820 5.538 50 10 JKGE Cc1cc(Br)c([C@H](Br)c2cc(C)c(Br)cc2C)cc1Cl 380611009 PTNCSLPAVPTECD-MRXNPFEDSA-N 481.453 7.275 50 10 JKGE C[C@@H](Cl)c1nc2c(F)cc(F)cc2n1CCCN(Cc1ccccc1)Cc1ccccc1 390649349 OSYHLDMMSUBYKI-LJQANCHMSA-N 453.964 6.707 50 10 JKGE CC(C)(C)[Si](C)(C)OCCN1CCN[C@H](c2ccc(CO[Si](C)(C)C(C)(C)C)cc2)C1 616634752 WQKGQECJHMMPDH-QHCPKHFHSA-N 464.843 6.177 50 10 JKGE COC1(COc2c(Br)cc(CBr)cc2Br)CCCC1 692496381 MNRYBNJAXSOCEQ-UHFFFAOYSA-N 457.000 5.445 50 10 JKGE CC1(C)CC[C@@H](CBr)N(C(=O)c2cc(Br)c(Br)s2)C1 701636228 FNWKUPDWUNDWOB-QMMMGPOBSA-N 474.056 5.299 50 10 JKGE CCn1c2ccccc2c2cc(C=NNC(=O)COc3ccc(Br)cc3C)ccc21 1083881372 KQXMQJYLKJQDBT-UHFFFAOYSA-N 464.363 5.414 50 10 JKGE Cc1ccc(C)c(NC(=O)/C(C#N)=C\c2cc(Br)c(O)c(Br)c2)c1 1083909194 FZCOZOKHKRUPGT-MLPAPPSSSA-N 450.130 5.080 50 10 JKGE Cc1ccc(C)c(-n2c(C)c(Br)c(C=NNC(=O)[C@H](C)SCc3ccccc3)c2C)c1 1083984047 ROJSVZFTKDPQLZ-FQEVSTJZSA-N 498.490 6.245 50 10 JKGE Cc1cc(C)cc(-n2c(C)cc(C=NNC(=O)c3ccc(CSc4ccccc4)cc3)c2C)c1 1084051749 KWPGGHWXUYOTEJ-UHFFFAOYSA-N 467.638 6.767 50 10 JKGE CC[C@H]1CCc2sc(-c3nnc(SCC(=O)/C(C#N)=C4\Nc5ccccc5N4C)n3C)cc2C1 1087642197 CYZXFJYZQPMBFB-WSRQSJKRSA-N 490.658 5.017 50 10 JKGE CC(C)(C)OC(=O)Nc1ccc(C(=O)NNC(=O)CC(c2ccccc2)c2ccccc2)cc1 1858081810 IUUGTWHJIIPDHK-UHFFFAOYSA-N 459.546 5.017 50 10 JKGE N#CSc1ccc(NC(=O)Nc2ncccc2OCCOc2cccc3ccccc23)cc1 1858857169 LKMFYAXUOMNZJE-UHFFFAOYSA-N 456.527 5.910 50 10 JKGE CCOc1ccc(CC(=O)NCc2ccc(OC(=O)Nc3ccc(SC#N)cc3)cc2)cc1 1858899441 XXWBDWPDXAEQLV-UHFFFAOYSA-N 461.543 5.128 50 10 JKGE Cc1ccc(Cn2nc(-c3ccccc3)c3c2OC(N)=C(C#N)[C@H]3c2cccc3ccccc23)cc1 1865682826 YFUMRSPFSXNHKP-HHHXNRCGSA-N 468.560 6.278 50 10 JKGE CCCCOc1ccc([C@H]2C(C#N)=C(N)Oc3c2c(CCC)nn3-c2ccccc2)cc1OC 1865696919 LJZIORBSMVDPST-DEOSSOPVSA-N 458.562 5.230 50 10 JKGE CCCn1nc(-c2ccccc2)c2c1OC(N)=C(C#N)[C@H]2c1ccccc1OCc1ccc(Cl)cc1 1865701026 KBHUWBBHXJRGRH-RUZDIDTESA-N 496.998 6.411 50 10 JKGE CCc1nn(Cc2ccc(Cl)cc2)c2c1[C@@H](c1cc(Br)ccc1F)C(C#N)=C(N)O2 1865701938 IWMAEXXKSLHTDZ-IBGZPJMESA-N 487.760 5.267 50 10 JKGE CCc1nn(CC(C)C)c2c1[C@@H](c1ccc(N(CC)Cc3ccccc3)cc1)C(C#N)=C(N)O2 1865707015 LUSGXNPVSDYFCM-VWLOTQADSA-N 455.606 5.346 50 10 JKGE COc1ccc(-c2nn(Cc3ccc(Cl)cc3)c3c2[C@@H](c2ccc(F)cc2)C(C#N)=C(N)O3)cc1 1865707593 AQTWOVNDUFUMRL-QHCPKHFHSA-N 486.934 5.618 50 10 JKGE COc1ccc(-c2nn(-c3ccc(Cl)c(Cl)c3)c3c2[C@@H](c2ccc[nH]2)C(C#N)=C(N)O3)cc1 1865710071 NRIXNIGOSIXNKG-HXUWFJFHSA-N 478.339 5.401 50 10 JKGE CCCc1nn(Cc2ccc(Cl)c(Cl)c2)c2c1[C@@H](c1cccc(F)c1)C(C#N)=C(N)O2 1865711434 YKGJWDWCAUXMLR-FQEVSTJZSA-N 457.336 5.548 50 10 JKGE CCc1nn(Cc2ccccc2Cl)c2c1[C@@H](c1cccc(OCc3ccccc3)c1)C(C#N)=C(N)O2 1865712431 YDFUOPNRXWEQAJ-SANMLTNESA-N 496.998 5.944 50 10 JKGE CCCc1nn(Cc2ccccc2F)c2c1[C@@H](c1ccc(Br)cc1)C(C#N)=C(N)O2 1865714504 LYNXOXRMQPFKOG-FQEVSTJZSA-N 467.342 5.004 50 10 JKGE COc1cccc(/C=C(\C#N)c2nc3ccccc3s2)c1OCc1ccc(Br)cc1 1872727026 ZKEBWFUKGRLSDF-QGOAFFKASA-N 477.383 6.711 50 10 JKGE COC(=O)c1ccc2c(O)nc(/C(C#N)=C/c3ccc(OCc4ccccc4C)cc3)nc2c1 1872727773 ZCJWDVYHXHCKFU-FYJGNVAPSA-N 451.482 5.074 50 10 JKGE N#C/C(=C(O)\C=C\c1ccc(Cl)c(Cl)c1)c1nc(-c2ccc(Cl)cc2Cl)cs1 1872744714 FMJBKEGRXIZPLG-AAICEGSWSA-N 468.192 7.930 50 10 JKGE N#C/C(=C(/O)c1ccc(-c2ccccc2)cc1)c1nc(-c2cccc(Br)c2)cs1 1872745957 LJAIGRVIIHOZDG-LNVKXUELSA-N 459.368 7.189 50 10 JKGE COc1ccc(Cl)cc1/C(O)=C(\C#N)c1nc(-c2cc(C(C)(C)C)ccc2OC)cs1 1872751398 GIDURRJFRXZFKO-PYCFMQQDSA-N 454.979 6.728 50 10 JKGE COc1ccc(-c2csc(/C(C#N)=C(\O)COc3ccc(Cl)cc3Cl)n2)c(OC)c1 1872755274 GLCQNDYKOZOMMZ-SDXDJHTJSA-N 463.342 6.006 50 10 JKGE COc1ccc(-c2csc(/C(C#N)=C(\O)COc3ccc(C)cc3C(C)(C)C)n2)c2ccccc12 1872758981 ZPCPVDCOGHUXLN-LVWGJNHUSA-N 484.621 7.450 50 10 JKGE COc1ccc(-c2csc(/C(C#N)=C(\O)COc3cccc(C)c3C)n2)c(OC)c1OC 1872759355 LREGQAOXPGVTIE-ZPHPHTNESA-N 452.532 5.324 50 10 JKGE CCCCCOc1ccc(/C=C(\C#N)c2nc(-c3ccc(Cl)cc3Cl)cs2)cc1OC 1872781358 ATACBBUWVJAQEI-GZTJUZNOSA-N 473.425 7.759 50 10 JKGE CCCCCCOc1ccc(/C=C(\C#N)c2nc(-c3ccc(OC)c(OC)c3)cs2)cc1OC 1872781578 KAWUIUWLEHXRNW-KGENOOAVSA-N 478.614 6.859 50 10 JKGE CCOc1cc(/C=C(\C#N)c2nc(-c3ccc(Cl)cc3)cs2)ccc1OCc1ccc(C)cc1 1872790020 FNZFBPPXJQKQOE-OEAKJJBVSA-N 487.024 7.814 50 10 JKGE Fc1cc(C[C@@H](Br)c2ccc(Br)cc2)c(F)cc1Br 1894894016 BDSCKZIEGORSDA-LLVKDONJSA-N 454.934 6.169 50 10 JKGE Brc1cc(C[C@H]2CCC[C@@H](Br)C2)ccc1I 1904328751 GEPBCWYZEWXWAB-MWLCHTKSSA-N 457.975 5.550 50 10 JKGE C[C@H](CCBr)N(Cc1ccccc1)C(=O)c1cccc(Br)c1Cl 1915129770 CPKSWCBQYCIXPQ-CYBMUJFWSA-N 459.609 5.918 50 10 JKGE O=C(c1cccc(I)c1)N(Cc1ccccc1)[C@@H](CBr)C1CC1 1915313454 NULNMMMXSOXDIC-SFHVURJKSA-N 484.175 5.107 50 10 JKGE FC(F)(F)c1cc([C@@H](Br)c2sc(Br)cc2Br)cs1 1922882471 MMMZUCAHFUCRCJ-MRVPVSSYSA-N 484.982 6.838 50 10 JKGE Cc1c(Br)sc([C@H](Br)[C@@H]2CCC[C@H]3CCCC[C@@H]32)c1Br 1922921741 UIOBUQVFCXOXQS-GFQSEFKGSA-N 485.123 7.624 50 10 JKGE Cc1c(Br)sc([C@@H](Br)c2ccc(Br)o2)c1Br 1922933962 AWDSJJVKVJGJAG-QMMMGPOBSA-N 493.840 6.421 50 10 JKGE Cl[C@@H](Cc1ccncc1Br)c1csc(Br)c1Br 1924016775 PAYWDXFQWZGQIE-VIFPVBQESA-N 460.416 5.953 50 10 JKGE Fc1cccc(Br)c1[C@H](Br)c1c(Cl)sc(Br)c1Cl 1925583974 HDJCXGCYXQGNJR-QMMMGPOBSA-N 497.836 7.203 50 10 JKGE C[C@@](CI)(OCCCOCc1ccccc1)c1ccccc1Br 1983389760 KBQRDZFJNQYSOV-IBGZPJMESA-N 489.191 5.723 50 10 JKGE CCN[C@H](c1c(Br)sc(Br)c1Br)[C@H]1C[C@H]1Cl 1991683796 WVXQZURGKDCRDK-UUEMRFSQSA-N 452.437 5.314 50 10 JKGE Cc1cc(Cl)c(Br)cc1[C@@H](Br)c1ccc(Br)s1 2023697967 LOGABZIZTFCDLW-GFCCVEGCSA-N 459.428 6.719 50 10 JKGE CCc1cc(Br)c([C@@H](Cl)c2ccc(Br)cc2Br)s1 2029238129 FMGSXNYEUOPMKI-LBPRGKRZSA-N 473.455 6.926 50 10 JKGE Brc1ccc(C[C@H](Br)c2cccc(Br)c2Br)cc1 2031485693 SZTDVVLXCRSKHY-ZDUSSCGKSA-N 497.850 6.653 50 10 JKGE CC[C@H]1CN(C[C@H](CBr)CC2CC2)[C@H](CC)CN1C(=O)OCc1ccccc1 2050057433 PDJZUPXDSCKDAD-BDTNDASRSA-N 451.449 5.309 50 10 JKGE Clc1cc([C@H](Br)c2cc(Br)cs2)c(Cl)c(Cl)c1Cl 2052451911 RTXRVOADGIUMGD-QMMMGPOBSA-N 469.840 7.609 50 10 JKGE COc1c(Cl)cc(Br)cc1[C@H](Br)c1cscc1Br 2082860380 AZGRLJYDOZRRAG-NSHDSACASA-N 475.427 6.419 50 10 JKGE O=C(NC[C@H]1CCC[C@H](CBr)C1)c1csc(Br)c1Br 2093946565 CTSZTIRSBBEFKY-IUCAKERBSA-N 474.056 5.204 50 10 JKGE ClCc1ccc(Br)c(Cl)c1N1C[C@H]2C[C@@H](CN(Cc3ccccc3)C2)C1 2098117047 MBVUWXIVSUEDPH-IRXDYDNUSA-N 454.239 5.800 50 10 JKGE C[C@H]1CO[C@H](CC(CBr)(CBr)c2ccccc2Br)C1 2110069495 YKFKQIREHZIUBH-NEPJUHHUSA-N 455.028 5.292 50 10 JKGE Clc1cc(Br)ccc1CC[C@H](Br)c1cccc(Br)c1 2113488889 IVXJVSQELOTKFL-AWEZNQCLSA-N 467.426 6.934 50 10 JKGE C[C@@H](CCCCCBr)NC(=O)c1cc(Cl)ccc1I 2117892845 FQNYSBVSXKFMJV-JTQLQIEISA-N 458.565 5.018 50 10 JKGE C[C@H]1C[C@H](n2c(CCl)nc3cc(I)ccc32)CN(Cc2ccccc2)C1 2127807535 XFOANOZTQQQWSO-YJBOKZPZSA-N 479.793 5.463 50 10 JKGE Cn1cnc2sc([C@H](Br)c3ccc(Br)cc3Br)cc21 2138869931 DWQYKPQCRUKEJZ-GFCCVEGCSA-N 465.008 5.644 50 10 JKGE Brc1ccc([C@@H](Br)c2ccc3c(c2)CCO3)c(I)c1 2142287526 NHCFSRZSXAZKIK-HNNXBMFYSA-N 493.964 5.473 50 10 JKGE COc1cc(F)c(Cl)cc1[C@H](Br)c1cc(Br)sc1Br 2142389471 UYKFUTCVBKGQIT-NSHDSACASA-N 493.417 6.559 50 10 JKGE O=C(NC1(CCBr)CCCCC1)c1cccc(Br)c1Br 2148748485 DDXHRLVPBLIYJP-UHFFFAOYSA-N 468.027 5.429 50 10 JKGE BrCc1cc(Br)cc(Br)c1OCCSC1CCCCC1 2149121613 BFFIGNSJPSJGOI-UHFFFAOYSA-N 487.095 6.551 50 10 JKGE CC12CC([C@@H](Cl)c3c(Br)sc(Br)c3Cl)(C1)C1(CCC1)O2 2157463851 DZNMSCODUOOQAF-ALXWSUNGSA-N 461.046 6.698 50 10 JKGE COc1ccc(C[C@H](Br)c2c(Cl)sc(Br)c2Cl)cc1F 2168413316 QNINOCDYZUSKFV-ZETCQYMHSA-N 462.993 6.644 50 10 JKGE Clc1ccc(I)c(C[C@@]2(CBr)CCCCC23CCC3)c1 2173630566 WKYYRPRNWWAUNH-QGZVFWFLSA-N 467.616 6.613 50 10 JKGE O=S(=O)(c1cc(F)c(Cl)c(CBr)c1)N(Cc1ccccc1)Cc1cccs1 2179864126 WYWQBDOCKORKCQ-UHFFFAOYSA-N 488.831 5.827 50 10 JKGE Cc1cc(Br)c([C@@H](Br)c2scc3c2CCCC3)cc1Br 2187123710 IRNCERSPACTYSZ-OAHLLOKOSA-N 479.075 6.945 50 10 JKGE Cc1cc(C)c([C@H](Br)c2c(Br)c(C)nn2C)c(C)c1Br 2192372880 HCFKUOQIEXIVHS-AWEZNQCLSA-N 465.027 5.663 50 10 JKGE COc1ccc([C@H](Br)c2ccc(I)c(C)c2)c(Cl)c1Cl 2207096729 LQIOSQWRCKYWDV-CYBMUJFWSA-N 485.974 6.399 50 10 JKGE Cc1cc([C@@H](Br)Cc2nc3ccccc3s2)ccc1I 2207103606 CKFVMWMZTHZWGY-LBPRGKRZSA-N 458.162 5.888 50 10 JKGE CC[C@@H](Br)C#Cc1sc(Br)c(Br)c1Br 2209975163 CPXRRCZLLXCRLI-RXMQYKEDSA-N 465.830 5.561 50 10 JKGE FC1(F)C[C@H](Cl)[C@H](c2sc(Br)c(Br)c2Br)C1 2212199909 HPXQNNKVKLZEIR-DMTCNVIQSA-N 459.375 6.156 50 10 JKGE CC1(C)C[C@H](Cl)C[C@H](c2sc(Br)c(Br)c2Br)C1 2216420737 ODFJHHIEEKBQPF-NKWVEPMBSA-N 465.476 6.937 50 10 JKGE CCOCc1cc(Br)c([C@@H](Br)c2cc(Br)oc2C)s1 2224791399 CGEAYMZQEPTMDN-LBPRGKRZSA-N 473.024 6.195 50 10 JKGE Fc1cc(Br)c(Br)cc1[C@@H](Br)C[C@@H]1CCC12CCC2 2225619526 KGBUPJVDTWRLNH-ONGXEEELSA-N 455.003 6.757 50 10 JKGE COc1cc(C)c([C@H](Br)c2cc(Br)c(C)s2)cc1Br 2226089027 NLXQGJTVFOHRSL-AWEZNQCLSA-N 469.036 6.383 50 10 JKGE Cc1cc(Br)c([C@@H](Br)CC2(C)CCCC2)c(C)c1Br 2227353416 SVUMXWOHWUZBSN-ZDUSSCGKSA-N 453.056 7.235 50 10 JKGE Cc1ccccc1C[C@H](Br)c1c(Br)cc(Cl)c(Cl)c1Cl 2232512539 NSEDMFRFRJMURQ-JTQLQIEISA-N 457.420 7.396 50 10 JKGE C[C@@H]1C[C@@H](n2c(CCCl)nc3c(F)cc(Br)cc32)CN1Cc1ccccc1 2232920600 CUFOXXXWPFZKHY-RHSMWYFYSA-N 450.783 5.555 50 10 JKGE CC[C@H](C)NCc1cc(Br)c(OC[C@@H]2C[C@H]2Br)c(Br)c1 2240226928 ZEIHPMCMPDSDES-ZMLRMANQSA-N 470.043 5.262 50 10 JKGE Cc1sc([C@@H](Br)c2ccc(Br)c(F)c2)c(Br)c1C 2253506704 ZCEJIJSKQPJMOB-LBPRGKRZSA-N 457.000 6.513 50 10 JKGE COc1c([C@@H](Cl)c2sc(Br)c(C)c2Br)csc1Cl 2256855693 DOEWLWBYPSYKHI-SSDOTTSWSA-N 451.032 6.633 50 10 JKGE COc1c([C@H](Br)c2sc(Br)c(C)c2Br)csc1C 2259054204 VZJBYVNPTCAKTP-VIFPVBQESA-N 475.065 6.444 50 10 JKGE COc1cc(OC)c([C@@H](Br)c2ccc(I)cc2)cc1Cl 2279143905 IIZPJBOTDDLWIP-HNNXBMFYSA-N 467.528 5.446 50 10 JKGE COc1ccc([C@H](Br)C(C)(C)C2CCCCC2)cc1I 2284998759 MPRXUMMIUXDWLG-INIZCTEOSA-N 451.186 6.342 50 10 JKGE COc1cccc(C=C(C#N)C(=O)Nc2ccc(C(C)=O)cc2)c1OCC=Cc1ccccc1 2295669863 BRQAWQKGJREOJZ-UHFFFAOYSA-N 452.510 5.536 50 10 JKGE N#CC(C(=O)Nc1ccc(F)cc1)=C1S[C@H](Cc2ccccc2)C(=O)N1c1ccc(F)cc1 2296631424 CXLDKRGMOTWJPM-JOCHJYFZSA-N 461.493 5.030 50 10 JKGE COc1ccc(NC(=O)C(C#N)=Cc2cn(Cc3ccc(Cl)cc3)c3ccccc23)c([N+](=O)[O-])c1 2297561928 BQQIVRHTRWWNHP-UHFFFAOYSA-N 486.915 5.805 50 10 JKGE FC1(F)[C@H]([C@@H](Br)c2sc(Cl)cc2I)C12CCC2 2301086495 OMWWEOGHKVWFJL-IONNQARKSA-N 453.517 5.878 50 10 JKGE C[C@@H]1CCC[C@@H](Cc2ccc(I)c(Br)c2)[C@@H]1Br 2306200495 YHTOJHLMWHLKBD-OLUVUFQESA-N 472.002 5.796 50 10 JKGE Cc1ccc(C)c(NC(=O)C(C#N)=Cc2cc(Cl)ccc2OCc2cccc(Cl)c2)c1 2313667028 CVNXKVZNZUJNRH-UHFFFAOYSA-N 451.353 6.735 50 10 JKGE Cc1ccc(NC(=O)C(C#N)=Cc2ccccc2OCc2ccc(Cl)c(Cl)c2)cc1C 2313738628 LAWQZMRDBSSHRP-UHFFFAOYSA-N 451.353 6.735 50 10 JKGE Fc1cc(Cl)c([C@H](Cl)c2cc(Br)sc2Br)c(Cl)c1 2318359694 WEMKPHYUUZNVGE-SNVBAGLBSA-N 453.385 7.047 50 10 JKGE Cc1c(Br)sc([C@@H](Br)C23CC(C[C@@H](C)O2)C3)c1Br 2319572179 ZTXHTJUCTNVAIS-XRAILWEFSA-N 459.041 5.975 50 10 JKGE CCc1ccc([C@H](C)NC(=O)C(C#N)=CNc2cc(C(F)(F)F)cc(C(F)(F)F)c2)cc1 2325103832 WUJOWBFKTDQMNK-ZDUSSCGKSA-N 455.402 5.983 50 10 JKGE COc1cccc(C=C2Oc3c(ccc(OCc4cccc(CCl)c4)c3C)C2=O)c1OC 2325361334 ZGHZSXRNHYWKQB-UHFFFAOYSA-N 450.918 5.946 50 10 JKGE FC(F)(F)[C@H]1C[C@@H]([C@H](Br)c2cc(Br)ccc2OCc2ccccc2)C1 2327681482 QGVLELFIMQANAY-IYOUNJFTSA-N 478.146 7.053 50 10 JKGE COc1cccc(C=C(C#N)c2nc(O)c3ccccc3n2)c1OCc1ccc(Br)cc1 2331030066 NTJRSCXTNRFESJ-UHFFFAOYSA-N 488.341 5.750 50 10 JKGE CCCCCCOc1ccc(C(O)=C(C#N)c2nc(-c3ccc4ccccc4c3)cs2)cc1 2331237842 KQUYHGJQPBMEDT-UHFFFAOYSA-N 454.595 7.872 50 10 JKGE CC(C)C[C@H](C(O)=C(C#N)c1nc(-c2ccc3c(c2)CCCC3)cs1)N1C(=O)c2ccccc2C1=O 2331240009 FTSKBNZMVIREQZ-RUZDIDTESA-N 497.620 6.192 50 10 JKGE Cc1ccc(-c2csc(C(C#N)=C(O)[C@@H](Cc3ccccc3)N3C(=O)c4ccccc4C3=O)n2)cc1 2331313345 GJDFXLOCENLNIM-RUZDIDTESA-N 491.572 5.819 50 10 JKGE COc1cc(C)c(-c2csc(C(C#N)=C(O)[C@H](C)Oc3ccc(Cl)cc3)n2)cc1C(C)C 2331356021 FHAFZMCOKAPAOB-INIZCTEOSA-N 469.006 7.164 50 10 JKGE COc1c(Cl)cc(Cl)cc1-c1csc(C(C#N)=C(O)Cc2ccc(OC(C)C)cc2)n1 2331362417 IEZICDUCPDWSCJ-UHFFFAOYSA-N 475.397 6.948 50 10 JKGE COc1cc(C=C(C#N)c2nc(-c3cccc([N+](=O)[O-])c3)cs2)ccc1OCCc1ccccc1 2331414521 MFYQHFAAHNOQOC-UHFFFAOYSA-N 483.549 6.413 50 10 JKGE Cc1c(Br)ccc([C@@H](Br)C[C@@H]2C[C@H]2C(F)(F)F)c1Br 2333146473 LIQIGTVFYAHXIN-NMLBEHRDSA-N 464.945 6.545 50 10 JKGE Cc1ccc([C@@H](C)[C@@H](Br)c2cc(Br)ccc2OCc2ccccc2)cc1 2336045541 XDSUBOYUFJYNIV-UZUQRXQVSA-N 474.236 7.576 50 10 JKGE CCCc1sc(Br)cc1[C@H](Cl)c1ccc(Cl)c(I)c1 2338021445 SLTMTOVGGKOMDV-CQSZACIVSA-N 490.031 7.049 50 10 JKGE Fc1ccc([C@@H](Br)c2ccc(Cl)cc2I)c(F)c1F 2340065890 NDWDBAFTYGJUGL-NSHDSACASA-N 461.446 5.846 50 10 JKGE C[C@@H]1CCC[C@@](CBr)(OCc2c(Br)cccc2Br)C1 2340604750 XTWRMGONXYXPGZ-IAQYHMDHSA-N 455.028 6.072 50 10 JKGE Cc1cc(C)c([C@H](Br)c2csc(C)c2Br)c(C)c1Br 2343552157 FOEPRWLQJGVCQJ-OAHLLOKOSA-N 467.064 6.991 50 10 JKGE CC(C)(C)[C@](C)(CBr)COCc1cc(Br)cc(Br)c1 2352108713 YFTWVNQBESXREG-OAHLLOKOSA-N 457.044 6.176 50 10 JKGE Cc1cc(Cl)c([C@@H](Br)c2c(Cl)sc(Br)c2Cl)c(Cl)c1 2353075473 BDFBXCPBBHQSBQ-SECBINFHSA-N 483.867 7.917 50 10 JKGE O=C1c2ccccc2C(=O)N1C[C@@H](Br)CCc1cc(C(F)(F)F)ccc1C(F)(F)F 2362126967 FJGNIGFZQWLURE-ZDUSSCGKSA-N 494.229 5.717 50 10 JKGE COC[C@@H]1CC[C@@H]([C@H](Br)c2c(Cl)cc(Br)c(F)c2Br)C1 2362229603 URVDTZARXABPAA-RWYTXXIDSA-N 493.436 6.503 50 10 JKGE CCC1CCC([C@H](Br)c2c(Cl)cc(Br)c(F)c2Br)CC1 2362253006 HHXMAGBKSGOMTG-RPTIHFLNSA-N 491.464 7.657 50 10 JKGE Cc1scc([C@@H](Br)c2cc(Br)cc3c2O[C@H](C)C3)c1Br 2369595776 GPGCCXCCMCYULT-UOWDBTKRSA-N 481.047 6.389 50 10 JKGE COc1ccc(/C(C#N)=C\c2ccc(N3N=C(c4ccccc4)C[C@@H]3c3ccccc3)cc2)cc1OC 33568770 NKZJKVJOPZDUKM-ZHGFHMGHSA-N 485.587 7.124 50 10 JKGE COc1cc(/C=C(/C#N)C(=O)Nc2cc(Cl)cc(Cl)c2)ccc1OCc1ccc(C)cc1 34902217 JPOSBVSIEKYGDV-OCKHKDLRSA-N 467.352 6.435 50 10 JKGE CC(C)c1ccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4cccc([N+](=O)[O-])c4)ccc32)cc1 38649682 BDOIMXOCZOSYCP-DEOSSOPVSA-N 455.470 5.156 50 10 JKGE CCCCOc1ccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)Cc4ccc(Cl)cc4)ccc32)cc1 38650880 MTPYZMBOQOMEDT-MHZLTWQESA-N 488.971 5.885 50 10 JKGE N#CC1=C(N)Oc2cc(OC(=O)COc3ccccc3Cl)ccc2[C@H]1c1cccc(Cl)c1 38651191 JTNZHNFBBVEDKR-HSZRJFAPSA-N 467.308 5.196 50 10 JKGE CCOc1ccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4ccc(C)cc4)ccc32)cc1OCC 38678986 IUHZTQFSWOOUTM-AREMUKBSSA-N 470.525 5.230 50 10 JKGE CCOc1ccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4ccc(F)cc4)ccc32)cc1OCC 38679055 RJZPMODCOGBICT-VWLOTQADSA-N 474.488 5.060 50 10 JKGE CCCCOc1ccccc1[C@H]1C(C#N)=C(N)Oc2cc(OC(=O)c3cccc([N+](=O)[O-])c3)ccc21 38683164 DFCLTOJDVAWMJC-RUZDIDTESA-N 485.496 5.211 50 10 JKGE CCOc1cccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4oc5cc(C)ccc5c4C)ccc32)c1 38701200 XGQXLUUHOJRULH-AREMUKBSSA-N 480.520 5.886 50 10 JKGE Cc1ccc(NC(=O)c2oc3c(c2C)/C(=N/NC(=O)Cc2coc4cc(C)cc(C)c24)CCC3)cc1 40826978 CRRJAUQOQWKDMT-DFKUXCBWSA-N 483.568 5.911 50 10 JKGE O=C(N/N=C/c1ccccc1OCc1cccc(F)c1)c1cc2cc(Br)ccc2o1 59303860 VXLMBBGQZIQOOZ-LGJNPRDNSA-N 467.294 5.677 50 10 JKGE COc1cc(/C=N/NC(=O)c2cc3ccccc3o2)c(Br)cc1OCc1ccc(F)cc1 59305372 JXALHDXNBRWIBQ-UVHMKAGCSA-N 497.320 5.686 50 10 JKGE Cc1cc([C@H](Br)c2cc(Br)ccc2F)c(C)cc1Br 70471956 NRQZPWONKVKJIY-HNNXBMFYSA-N 450.971 6.452 50 10 JKGE CCCCCCCCCCCCCC(=O)NNC(=O)COc1ccc(Br)cc1C 100443071 PFRJTPHZIXPEBQ-UHFFFAOYSA-N 469.464 5.985 50 10 JKGE CCOc1ccc(-c2nn(-c3ccccc3)cc2/C=C2/C(=O)N([C@@H](C)CC)C(=O)C(C#N)=C2C)cc1F 101334197 QIDWPVPRWKEGJF-TTXZLZEXSA-N 498.558 5.468 50 10 JKGE FC(F)(F)c1cc([C@H](Br)c2cc(Cl)sc2Cl)ccc1Br 124615883 AZTSWFFOACWDOW-JTQLQIEISA-N 468.947 7.321 50 10 JKGE CN1C(=O)Cc2cc([C@H](Br)c3cc(Br)ccc3Br)ccc21 161086644 KTONJHJPNWDXPO-INIZCTEOSA-N 473.990 5.215 50 10 JKGE CSc1ccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)/C=C\c4ccc(C(C)(C)C)cc4)ccc32)cc1 205655499 IFOYSLOZVVQVJS-FSWZZDKQSA-N 496.632 6.543 50 10 JKGE CCOC(=O)c1c(NC(=O)/C(C#N)=C\c2ccc(O)c(OCC)c2)sc2c1CC[C@H](CC)C2 209407186 YNMPEPPHXFAIJH-ZCQLHAAUSA-N 468.575 5.090 50 10 JKGE COc1ccc([C@@H](Br)c2ccc(C)c(Br)c2)c(OC)c1Br 224854097 AKQQXQFQCPHAHI-AWEZNQCLSA-N 479.006 6.022 50 10 JKGE Cc1ccc(C)c([C@@H](Br)c2cc(I)ccc2Br)c1 235865152 RJZLWVCYTVLCJY-OAHLLOKOSA-N 479.981 6.155 50 10 JKGE O=C(CSc1nc2ccccc2s1)NN=Cc1cccc(OCc2ccc(Cl)cc2)c1 254596264 RRLMVRNOYFIJFR-UHFFFAOYSA-N 468.003 5.771 50 10 JKGE Cc1ccc(COc2ccc(C(=O)NN=Cc3ccc(OC(=O)c4ccccc4)cc3)cc2)cc1 254698624 QVNLXCDCSLLCSI-UHFFFAOYSA-N 464.521 5.557 50 10 JKGE Brc1ccsc1[C@@H](Br)c1sccc1I 306383053 XYUJXMKMNFSBKM-SSDOTTSWSA-N 463.985 5.661 50 10 JKGE Cc1sc([C@@H](Br)c2sccc2I)cc1Br 307453661 VNMGZZLQLOKYGS-SECBINFHSA-N 478.012 5.969 50 10 JKGE BrCc1cccc(OCCOc2cccc(Br)c2)c1Br 315739882 PUTORNAXCVZGLW-UHFFFAOYSA-N 464.979 5.564 50 10 JKGE Fc1cc(Br)ccc1COc1c(Br)cc(Br)cc1CCl 380427112 YZKWWRYHPXHAMO-UHFFFAOYSA-N 487.388 6.431 50 10 JKGE O=C(OCc1ccccc1)N1C[C@H](CI)[C@H](c2ccc(Cl)cc2)C1 382684225 GRBPKNYXXICEOV-WMZOPIPTSA-N 455.723 5.127 50 10 JKGE Fc1cc(Br)c([C@@H](Br)c2c(F)cccc2Br)c(F)c1F 398650672 BJDGNPGGOYXDSO-NSHDSACASA-N 476.887 6.252 50 10 JKGE CC1(C)COc2c([C@@H](Br)c3nscc3Br)cc(Br)cc21 688197033 QVUJZROXHVHSPO-LLVKDONJSA-N 482.035 5.822 50 10 JKGE Clc1ccc(COc2c(Br)cc(Cl)cc2CBr)c(Cl)c1 708110540 DEZHXBVHYVADQS-UHFFFAOYSA-N 459.392 6.883 50 10 JKGE COCc1cc(Br)c([C@@H](Br)c2cccc(C)c2Br)s1 710896500 BHOJDPWCPLEERT-ZDUSSCGKSA-N 469.036 6.212 50 10 JKGE Fc1cc(F)c([C@H](Cl)c2ccc(I)c(Br)c2)cc1F 721606956 YFUQCBZYLCXGBF-CYBMUJFWSA-N 461.446 5.799 50 10 JKGE Cc1cccc(-n2c(C)cc(C=NNC(=O)c3ccc(CSCc4ccccc4)cc3)c2C)c1 1084155404 HWFKMCAYQRNDCP-UHFFFAOYSA-N 467.638 6.600 50 10 JKGE CC(/C=C\c1ccccc1)=NNC(=O)COc1c(C)cc(Br)cc1Br 1084336620 RIFDFDMGJIFHPK-NTWLTXHRSA-N 466.173 5.104 50 10 JKGE CCOc1ccc([C@@H](O)CCC(=O)NN=Cc2cn(Cc3ccc(C)cc3)c3ccccc23)cc1 1084381742 WEMJFYVHXLZXPJ-NDEPHWFRSA-N 469.585 5.361 50 10 JKGE Cc1cc(C)cc(NC(=O)c2oc3c(c2C)C(=NNC(=O)Cc2coc4cc(C)cc(C)c24)CCC3)c1 1772751575 FSDNBVATYUTMDN-UHFFFAOYSA-N 497.595 6.220 50 10 JKGE Cc1ccc(C(C)C)c(OCC(=O)NN=C2C(=O)N(Cc3ccc(Cl)cc3)c3ccccc32)c1 1772752252 FCXACXNMQVOGKK-UHFFFAOYSA-N 475.976 5.218 50 10 JKGE CC(C)(C)c1cc(Br)ccc1OCC(=O)NN=Cc1ccc(OCc2ccccc2)cc1 1772754774 UULGSKVEYUHSRA-UHFFFAOYSA-N 495.417 5.855 50 10 JKGE N#CC1=C(N)Oc2c(c(-c3ccccc3)nn2Cc2c(F)cccc2Cl)[C@@H]1c1ccc(O)c(O)c1 1865680922 ZZWGPOQPAAEDSU-JOCHJYFZSA-N 488.906 5.020 50 10 JKGE COc1ccc(-n2nc(C(F)(F)F)c3c2OC(N)=C(C#N)[C@H]3c2c(OC)ccc3ccccc23)cc1 1865688688 YJSKRPZTXPXAAU-NRFANRHFSA-N 492.457 5.280 50 10 JKGE CCCc1nn(-c2cccc3ccccc23)c2c1[C@@H](c1ccc(OCC)c(OCC)c1)C(C#N)=C(N)O2 1865689173 LMJHLHCBZDEUDC-MHZLTWQESA-N 494.595 5.994 50 10 JKGE CCc1nn(-c2ccccc2Cl)c2c1[C@@H](c1ccc(OC(C)C)c(OC)c1)C(C#N)=C(N)O2 1865697683 ZGSPKHDOMCCCPF-QFIPXVFZSA-N 464.953 5.102 50 10 JKGE CCCc1nn(-c2ccccc2)c2c1[C@H](c1ccccc1OCc1ccccc1Cl)C(C#N)=C(N)O2 1865703646 XWFIIPNINADLHT-AREMUKBSSA-N 496.998 6.275 50 10 JKGE CCC[C@H](NC(=O)CC(c1ccc(F)cc1)c1ccc(F)cc1)C(=O)Nc1ccc(SC#N)cc1 1866757268 MOOAEVNLTIAXKY-VWLOTQADSA-N 493.579 5.984 50 10 JKGE COC(=O)c1ccccc1N1C[C@@H](/C(O)=C(\C#N)c2nc(-c3ccccc3Cl)cs2)CC1=O 1872746656 RLVGLUWRFWEPPS-AEWZPABSSA-N 479.945 5.096 50 10 JKGE COc1ccc(-c2csc(/C(C#N)=C(\O)CNC(=O)c3ccc(Cl)cc3)n2)c(C)c1C 1872753658 HZRWAOGDZHAXKP-ZZEZOPTASA-N 453.951 5.312 50 10 JKGE COc1cc(-c2csc(/C(C#N)=C(O)/C=C\c3ccc4c(c3)OCCO4)n2)c(OC)cc1Cl 1872754904 OMPYDTNGAWPLCE-UNSVBVQDSA-N 482.945 5.758 50 10 JKGE CCCCCCOc1ccc(/C(O)=C(\C#N)c2nc(-c3cc(C)c(OC)cc3C)cs2)cc1 1872758025 IGLXVAVWBINXTO-RWEWTDSWSA-N 462.615 7.345 50 10 JKGE N#C/C(=C\c1cc(Br)cc(Br)c1O)c1nc(-c2ccccc2Cl)cs1 1872780910 PLXKZURASZPENE-VZUCSPMQSA-N 496.611 6.758 50 10 JKGE N#C/C(=C\c1ccccc1)C(=O)N1CC[C@@H](c2ccc(F)cc2)[C@H](COc2ccc3c(c2)OCO3)C1 1873789322 KDEKSZQMVPOIOG-YGQJSWTHSA-N 484.527 5.173 50 10 JKGE COc1cc(/C(O)=C(\C#N)c2nc(-c3cc(C)ccc3OC)cs2)c([N+](=O)[O-])cc1OC 1873920455 GCNMKYTUHSCNGS-QNGOZBTKSA-N 453.476 5.002 50 10 JKGE Cl[C@@H](c1ccc(OCc2ccccc2)cc1Br)c1cscc1Br 1899884443 JIEOTDKZJHGNEP-SFHVURJKSA-N 472.629 7.180 50 10 JKGE Cc1scc([C@@H](Br)c2cc(Br)c(Cl)s2)c1Br 1902874672 BNRDAEWWZWPBKW-SECBINFHSA-N 465.457 6.781 50 10 JKGE Cc1cc([C@@H](Cl)c2cc(I)cc3c2OCC3)oc1Br 1917605824 IQRSSYVQZWDAEV-LBPRGKRZSA-N 453.501 5.218 50 10 JKGE COc1ccc(Br)c([C@@H](Br)[C@@H](C)c2ccncc2Br)c1 1924040746 PRTREZBHYJTZAF-VFZGTOFNSA-N 463.995 5.855 50 10 JKGE Clc1cc([C@H](Br)c2cscc2OCc2ccccc2)sc1Br 1934837919 DMFNSDONQULTDW-OAHLLOKOSA-N 478.658 7.289 50 10 JKGE Brc1sc([C@H](Br)c2ncsc2Br)cc1C1CC1 1945799718 JGZPMGQFRHPHFM-QMMMGPOBSA-N 458.038 6.091 50 10 JKGE BrCc1ccc(Br)cc1N1CC[C@H]2CN(Cc3ccccc3)C[C@H]2C1 2049663721 ASLKLEXPUVWTIF-OALUTQOASA-N 464.245 5.302 50 10 JKGE CCOC(=O)C(C#N)=Cc1ccc(C[P+](c2ccccc2)(c2ccccc2)c2ccccc2)cc1 2052963814 BIDHIISJVSJQCM-UHFFFAOYSA-N 476.536 5.651 50 10 JKGE Cc1sc(Br)c([C@@H](Br)c2cccc(Br)c2C)c1C 2082883575 GQUXVXDQCXHFDW-ZDUSSCGKSA-N 453.037 6.683 50 10 JKGE Cc1cc([C@H](Br)Cc2ccncc2Br)ccc1I 2086040111 UMCCUNNLZZGRNH-GFCCVEGCSA-N 480.969 5.436 50 10 JKGE Cc1nc([C@@H](Br)c2c(Br)cc(F)c(F)c2F)c(Br)s1 2113190229 SWGPBQDARCFDGM-ZETCQYMHSA-N 479.941 5.878 50 10 JKGE Cc1cc(Br)c(CBr)c(N2C[C@H]3CN(Cc4ccccc4)C[C@]3(C)C2)c1 2116803574 HGRBVZGKSIVOFQ-XMSQKQJNSA-N 478.272 5.611 50 10 JKGE CC(C)(C)[C@@H]1[C@@H](Br)CCN1Cc1ccc(Br)cc1Br 2128675907 LBXGITPKLWISOS-JSGCOSHPSA-N 454.044 5.596 50 10 JKGE Cc1c(Br)ccc([C@H](Br)[C@H]2[C@H]3CCCCC[C@H]32)c1Br 2138870517 JJVNNWNZCWMVLG-VAECKANCSA-N 451.040 6.782 50 10 JKGE O=C(c1cc(Br)c(Br)s1)N1[C@H](CBr)CCC12CCC2 2140861025 JBNGPKQXEIERCO-QMMMGPOBSA-N 472.040 5.195 50 10 JKGE Clc1cc(CN2[C@H]3CCC[C@@H](Br)[C@H]2CC3)ccc1I 2142950828 VENRJJABMQHKLR-YWPYICTPSA-N 454.577 5.225 50 10 JKGE BrCC(CBr)(CCSC1CCCC1)c1ccc(Br)cc1 2149129706 OICNOWVPIHYEIX-UHFFFAOYSA-N 485.123 6.543 50 10 JKGE Clc1ccc([C@@H](Br)c2csc(Br)c2Br)c2ccccc12 2150344760 RVGLPRKPKLSWMV-CYBMUJFWSA-N 495.461 7.564 50 10 JKGE Fc1c(CC[C@@H](Br)c2ccc(Br)cc2)ccc(Cl)c1Br 2169788680 FMFUQVBTQBGVED-GFCCVEGCSA-N 485.416 7.073 50 10 JKGE C[C@H]1Cc2cc([C@H](Cl)c3cc(Br)c(Cl)s3)cc(Br)c2O1 2172560671 SMGXZFBEOOSWJG-QTTZVWFDSA-N 457.014 6.578 50 10 JKGE Cc1cc(Br)c(C)c([C@@H](Br)C23CC(C)(C2)O[C@H]3C)c1Br 2201071369 IDGHADKUHONXDJ-GEAAMTFESA-N 467.039 6.222 50 10 JKGE O=C(c1cc(I)ccc1Br)N1CCCC[C@@H]1CCCCl 2206697079 VCVJMBJUDJEMCO-GFCCVEGCSA-N 470.576 5.067 50 10 JKGE CC(C)(CBr)N(Cc1ccccc1)C[C@H]1CC1(Br)Br 2208984249 ROAWYZNDUUAJQJ-CYBMUJFWSA-N 454.044 5.168 50 10 JKGE Clc1cc(Br)c([C@H](Cl)c2ncsc2Br)c(Cl)c1Cl 2217611637 VUQYPBVWAAIWEC-QMMMGPOBSA-N 470.828 6.957 50 10 JKGE Brc1cc([C@H](Br)C2C[C@H]3CCC[C@H](C2)C3)c(Br)s1 2218347721 BOQUZLVYPXSJMS-MWODSPESSA-N 457.069 6.926 50 10 JKGE FC(F)C(F)(F)C[C@H](Br)c1c(Br)cc(Cl)c(Cl)c1Cl 2224304317 IENPDMBGHJKQDR-BYPYZUCNSA-N 467.309 7.136 50 10 JKGE Clc1cc([C@H](Cl)c2c(Br)cc(Cl)c(Cl)c2Cl)c(Cl)s1 2224317864 RLQZFSGWJPKNRN-QMMMGPOBSA-N 459.834 8.106 50 10 JKGE Cc1ccc([C@@H](Cl)[C@@H](C)c2ccncc2Br)cc1I 2224618303 HPTNEBLSLYSBAS-BONVTDFDSA-N 450.545 5.841 50 10 JKGE Fc1cc(Br)c(Br)cc1[C@@H](Br)[C@H]1CCCCC12CC2 2225616431 FYECVBFWSZNOAL-QMTHXVAHSA-N 455.003 6.757 50 10 JKGE Fc1cccc(Br)c1[C@@H](Br)Cc1ccc(Br)cc1Cl 2229153370 SUAYONOIUZAPSQ-NSHDSACASA-N 471.389 6.683 50 10 JKGE O=C(c1cc(Br)c(Br)s1)N1C[C@@H](Br)CC12CCCC2 2232243122 KVXUIGLTOZWBGA-QMMMGPOBSA-N 472.040 5.195 50 10 JKGE O=C(c1cc(Br)sc1Br)N1CC[C@@H]2[C@H](Br)CCC[C@H]2C1 2233740990 UHBIGKBCEFDLSF-ATZCPNFKSA-N 486.067 5.299 50 10 JKGE Brc1cc2sc([C@H](Br)c3csnc3Br)cc2s1 2252909393 KRYAZVGJJBYWRQ-SECBINFHSA-N 474.062 6.429 50 10 JKGE CC(C)(C)OC(=O)N1CCC(CI)(OCC[C@H]2CCCC23CC3)CC1 2255333856 UALZVALUTACJCF-MRXNPFEDSA-N 463.400 5.178 50 10 JKGE Clc1cc(Br)c([C@H](Cl)Cc2cc(Br)cc(Br)c2)s1 2263452239 IOYOMFJRSINVGQ-SNVBAGLBSA-N 493.873 7.212 50 10 JKGE Brc1cc(Br)cc(C[C@H](Br)[C@@]23CCCC[C@@H]2CC3)c1 2277956895 RHTSFGGZFIUWTN-UHOFOFEASA-N 451.040 6.488 50 10 JKGE COc1cc(Cl)c(Cl)cc1[C@@H](Br)c1sc(C)c(C)c1Br 2279047377 MFOJKUGIEYQFFV-CYBMUJFWSA-N 459.030 6.927 50 10 JKGE Fc1cc([C@H](Br)c2ccc(F)c(Br)c2F)c(Cl)cc1Br 2282898901 KVNKYVWVYQIZCS-LLVKDONJSA-N 493.342 6.767 50 10 JKGE Fc1cc([C@@H](Br)Cc2c(Cl)cccc2Cl)c(Cl)cc1Br 2282966692 KXPONPWVTMNKMR-VIFPVBQESA-N 461.383 7.227 50 10 JKGE COCCc1ccc([C@H](Br)c2ccc(Cl)c(I)c2)cc1 2283586957 NSGSHHCKUFXTTR-INIZCTEOSA-N 465.556 5.618 50 10 JKGE COc1c([C@H](Br)c2scc(Br)c2C)cc(Br)c(C)c1C 2284593842 JFGCDMFYUDYRIL-ZDUSSCGKSA-N 483.063 6.691 50 10 JKGE CC(C)(C)C[C@@H](Br)CNC(=O)Cc1cc(Br)cc(Br)c1 2295308572 YZOZEASOIIGBJY-CYBMUJFWSA-N 470.043 5.070 50 10 JKGE COc1c(Br)cc([C@@H](Br)c2csc(Br)c2)c(OC)c1C 2295429346 ZILLFASILIKJNQ-LBPRGKRZSA-N 485.035 6.083 50 10 JKGE CCCCOc1ccc(-c2nn(-c3ccccc3)cc2C=C(C#N)C(=O)NCc2ccco2)cc1 2296540335 VERQXXGDOUFOEO-UHFFFAOYSA-N 466.541 5.535 50 10 JKGE C[C@]1([C@H](Br)c2ccc(OCc3ccccc3)cc2Br)CCCOC1 2299499209 YAYAIKHDTFLABC-UXHICEINSA-N 454.202 6.281 50 10 JKGE Cl[C@@H](c1c(Br)sc(Br)c1Br)[C@@H]1OC[C@@H]2CCC[C@@H]21 2312247558 HZHIDOUHMQYFFM-AJSHEINVSA-N 479.459 6.131 50 10 JKGE COc1cc(C=C(C#N)C(=O)Nc2ccc(C)cc2C)cc(Br)c1OCc1ccccc1 2313518063 CERDSTBJXLQPLO-UHFFFAOYSA-N 491.385 6.199 50 10 JKGE CCc1ccc(NC(=O)C(C#N)=Cc2cc(Br)ccc2OCc2ccccc2)cc1 2313670598 JANDSOUYIWWBAL-UHFFFAOYSA-N 461.359 6.136 50 10 JKGE CC[C@@H](C)N1C(=O)C(=Cc2ccc(OCc3ccc(Cl)cc3)c(OC)c2)C(C)=C(C#N)C1=O 2314611525 WFRXRNABJRJEAX-MRXNPFEDSA-N 464.949 5.318 50 10 JKGE COc1ccccc1[C@@H]1C(C#N)=C(N)Oc2cc(OC(=O)C=Cc3ccc(Cl)cc3Cl)ccc21 2314634208 CEBQWSVYUOBXHM-VWLOTQADSA-N 493.346 5.839 50 10 JKGE COc1cc(C=CC#N)ccc1OC(=O)CCCOc1ccc(C(C)(C)C)cc1Br 2314795859 XORQZSGTHYNWAQ-UHFFFAOYSA-N 472.379 6.057 50 10 JKGE C[C@@]1([C@H](Br)c2c(Cl)cc(Br)c(F)c2Br)CCOC1 2315440428 SNXYSUZOMIIDKZ-VXGBXAGGSA-N 465.382 5.867 50 10 JKGE Fc1c(Br)cc(Cl)c([C@H](Cl)c2ccc(Br)s2)c1Br 2315453783 PURKYDFVWHNPII-SNVBAGLBSA-N 497.836 7.156 50 10 JKGE CCc1cc([C@@H](Cl)c2c(Br)c(Br)nn2C)sc1Br 2316709136 IPCILNXXYPEOBR-MRVPVSSYSA-N 477.447 5.660 50 10 JKGE CCCCCCOc1ccc(C(O)=C(C#N)c2nc(-c3ccc(Cl)cc3Cl)cs2)cc1 2331251563 YIQLVQJRIKCLRC-UHFFFAOYSA-N 473.425 8.026 50 10 JKGE N#CC(=C(O)CCCCCNC(=O)c1ccccc1)c1nc(-c2ccc(Cl)cc2Cl)cs1 2331254594 DTAYWTWJOYCVKN-UHFFFAOYSA-N 486.424 6.900 50 10 JKGE N#CC(=C(O)c1ccc2c(c1)C(=O)N(c1ccc(F)cc1)C2=O)c1nc(-c2cccs2)cs1 2331326962 VHZCQRCTORBVBO-UHFFFAOYSA-N 473.510 5.761 50 10 JKGE COc1c(C)cc(Cl)cc1-c1csc(C(C#N)=C(O)CCCCCNC(=O)c2ccccc2)n1 2331392364 WKEMMBUEUMORLR-UHFFFAOYSA-N 496.032 6.564 50 10 JKGE COc1c(Cl)cc(-c2csc(C(C#N)=C(O)Cc3c[nH]c4ccccc34)n2)cc1Cl 2331396635 XRMYNRHOXBUBPU-UHFFFAOYSA-N 456.354 6.642 50 10 JKGE COc1ccc(-c2csc(C(C#N)=C(O)COc3cccc(C)c3C)n2)c(OC)c1OC 2331412837 LREGQAOXPGVTIE-UHFFFAOYSA-N 452.532 5.324 50 10 JKGE Cn1cc([C@@H](Cl)c2c(F)cc(Cl)c(Br)c2Cl)nc1Br 2335278684 GANJODZAORFWEI-SECBINFHSA-N 451.348 5.719 50 10 JKGE CC(F)(F)C(C)(C)[C@H](Br)c1c(Cl)cc(Br)c(F)c1Br 2337080303 GIPWYJLKFMTMHN-SNVBAGLBSA-N 487.379 7.122 50 10 JKGE CCCN[C@H](c1c(Cl)cc(Br)c(F)c1Br)[C@@H]1C[C@H]1Br 2337106213 GJTSSXFCURFNRL-FWXDICJISA-N 478.425 5.828 50 10 JKGE BrC[C@@]12CCCC[C@H]1N(Cc1sccc1I)CCC2 2338753746 ZQIOKUMQODQWKG-CABCVRRESA-N 454.215 5.272 50 10 JKGE Cc1cc(F)c([C@H](Br)c2ccc(Cl)cc2I)cc1C 2340065383 VNCXNYMCXQKCNF-OAHLLOKOSA-N 453.520 6.185 50 10 JKGE FC1(F)CC2(C1)C[C@]2(CBr)Cc1cc(I)ccc1Cl 2352422315 STZTTYXOSSWHCP-LBPRGKRZSA-N 461.515 5.688 50 10 JKGE Cc1cc(Br)c([C@H](Br)[C@H]2O[C@H]3CC[C@H]2C3)c(C)c1Br 2352552182 AVZSYVYGEQNOGW-CHPZLBCBSA-N 453.012 5.832 50 10 JKGE O=C(c1scc(Br)c1Br)N1CC[C@@H](Cl)C[C@H]1C(F)(F)F 2361462958 QUQWCNMZHWPDHH-VDTYLAMSSA-N 455.521 5.047 50 10 JKGE CC(C)[C@H](CBr)CN1CC[C@@H](CCNC(=O)OC(C)(C)C)C[C@H]1C(F)(F)F 2362788892 MOCCVMCUGZOAQL-OAGGEKHMSA-N 459.391 5.211 50 10 JKGE Cc1cc(Br)c(F)c(Br)c1[C@@H](Br)C1CCC2(CC1)CC2 2365184465 DYPMQXCOOZWQOK-ZDUSSCGKSA-N 469.030 7.066 50 10 JKGE Cc1cc(Br)c(F)c(Br)c1[C@H](Br)[C@@H]1CC[C@@H]1C(F)(F)F 2365192417 CHBFIPFKPZDUQJ-MATHAZKKSA-N 482.935 6.684 50 10 JKGE Cc1cc(Br)c(F)c(Br)c1[C@H](Br)[C@@H]1CC[C@@H]2C[C@H]1CO2 2365198457 ZURMQUKFYNYGSB-DCJFZGGZSA-N 471.002 5.910 50 10 JKGE CC(C)[C@H](Br)C(C)(C)CN(C)C(=O)c1cc(Br)c(Br)s1 2365906178 BUYDOCKQNXJNNM-NSHDSACASA-N 490.099 5.791 50 10 JKGE CC(C)(C)OC(=O)N1CCC[C@]12CC[S@@](=O)(=NC[C@](C)(CBr)C(C)(C)C)C2 2380173235 DHYLKKXTWLCWRH-VKIDHGPPSA-N 465.498 5.075 50 10 JKGE CC(C)c1ccc(/C=N/NC(=O)c2cc(-c3ccc(Br)cc3)nc3ccccc23)cc1 1956796 IIOYRSWRCNOGDN-LQKURTRISA-N 472.386 6.552 50 10 JKGE COc1ccc(/C(C#N)=C\c2ccc(OC(=O)[C@H](C)Oc3ccc(Cl)cc3Cl)c(OC)c2)cc1 31902302 LZHMERRMZARPSP-JJBLJPBOSA-N 498.362 6.448 50 10 JKGE CCCCOc1ccc(/C=C\C(=O)Oc2ccc(/C=C(\C#N)C(=O)OCC)cc2OCC)cc1 33378284 RJQOBZKDNFHTOL-AKZANHIPSA-N 463.530 5.353 50 10 JKGE CCC/C(=N\NC(=O)COc1c(C)cc(Br)cc1Br)c1ccccc1 33959040 GCWBOUFWCGAHES-OQKWZONESA-N 468.189 5.219 50 10 JKGE Cc1ccc(N2C(=O)CS[C@H]2c2ccc(NC(=O)[C@@H](Cl)c3ccccc3)cc2)cc1F 35928586 CUYHDVGWEYGQGE-UPVQGACJSA-N 454.954 5.831 50 10 JKGE CCCCCN1C(=O)C(C#N)=C(C)/C(=C\c2ccc(OCc3ccc(F)cc3)c(OCC)c2)C1=O 38603971 HODOTGCPYHMPGN-HZHRSRAPSA-N 476.548 5.586 50 10 JKGE CCCOc1ccccc1C(=O)Oc1ccc2c(c1)OC(N)=C(C#N)[C@H]2c1ccccc1OCC 38650566 STZKYAIIQJTVCF-SANMLTNESA-N 470.525 5.311 50 10 JKGE CCc1cc(Br)ccc1OCC(=O)N/N=C/c1cn(Cc2ccccc2)c2ccccc12 40959966 SESIULWTHZHMCJ-RWPZCVJISA-N 490.401 5.544 50 10 JKGE Cc1ccc(-c2ccccc2)n1-c1ccc(C(=O)N/N=C/c2cc(Br)ccc2O)cc1 59305214 YTZQDFJJDOPAKV-JVWAILMASA-N 474.358 5.685 50 10 JKGE C[C@@H](NC(=O)COc1ccc(/C=N/NC(=O)C(c2ccccc2)c2ccccc2)cc1)c1ccccc1 59960591 JIVTZQYSTSJUHB-ICWYPFNYSA-N 491.591 5.225 50 10 JKGE N#C/C(=C/c1cn(Cc2ccccc2)c2ccccc12)c1nnc(N2CCOCC2)n1-c1ccccc1 84544632 JWZPHVOYIINYRZ-CLCOLTQESA-N 486.579 5.171 50 10 JKGE CCCCOc1ccc(N/C=C(/C#N)c2nc(-c3ccc(Br)cc3)cs2)cc1 100179474 OBGIZNMNNNSJSX-VKAVYKQESA-N 454.393 6.728 50 10 JKGE CCOC(=O)c1c(-c2ccc(Cl)cc2)csc1NC(=O)/C(C#N)=C\c1ccc(C(C)C)cc1 102664434 WAINFLDUVFKTGD-MOSHPQCFSA-N 479.001 6.914 50 10 JKGE Cc1cc(C)cc(N/C(SCc2cccc(F)c2)=C(\C#N)S(=O)(=O)c2ccccc2)c1 104689191 RWIGPGGZGJJLIP-VHXPQNKSSA-N 452.576 5.954 50 10 JKGE ClCCc1nc2ccc(Br)cc2n1-c1cc(Br)ccc1Br 115770594 ZSCMOWLJNMNEHM-UHFFFAOYSA-N 493.424 6.094 50 10 JKGE CCCC[C@@H](CC)CO[Si](OCC(CC)CC)(OCC(CC)CC)OC[C@H](CC)CCCC 195751231 ULCSCCKDHPQPDN-VSGBNLITSA-N 488.870 8.794 50 10 JKGE C[C@H](Br)[C@](Br)(CBr)C(=O)Oc1ccc(Cl)cc1Cl 205782478 GDXBXROBZFOHBW-UPONEAKYSA-N 483.809 5.211 50 10 JKGE CC(C)c1ccc(/C=C(\C#N)C(=O)Oc2ccc(/C=C(/C#N)C(=O)NCc3ccco3)cc2)cc1 206698610 WJKRRFQJVNWGSH-PMICNGQHSA-N 465.509 5.139 50 10 JKGE CCOc1cc(/C=C2\C(=O)N([C@H](C)c3ccccc3)C(=O)C(C#N)=C2C)ccc1OCCC(C)C 214343543 WWMCPDCTAFCKLX-SSHUPFPWSA-N 472.585 5.864 50 10 JKGE Cc1cc(I)ccc1NC(=O)/C(C#N)=C\Nc1cccc2ccccc12 217254127 GFMAMERSVGUXPM-SSZFMOIBSA-N 453.283 5.211 50 10 JKGE CCCOc1ccc([C@H](Cl)c2cc(Br)ccc2Cl)cc1Br 228999457 YJEVHBARXGAOQF-INIZCTEOSA-N 453.001 6.982 50 10 JKGE Brc1occc1[C@H](Br)c1csc2c(Br)cccc12 232483546 QYYWECKALHWFSI-NSHDSACASA-N 450.977 6.504 50 10 JKGE CCC(CC)N(CCBr)C(=O)c1cc(Br)cc(Br)c1 232895325 KEWJMLGIIZXQSW-UHFFFAOYSA-N 456.016 5.237 50 10 JKGE Cc1ccc([C@@H](Br)c2cc(Br)sc2Br)c2ccccc12 235921203 ITHVTXXOQQBELD-OAHLLOKOSA-N 475.043 7.219 50 10 JKGE Fc1cc([C@@H](Cl)c2cc(Br)sc2Br)c(F)cc1Br 236226802 GXELZLVRLOJVLK-SNVBAGLBSA-N 481.381 6.642 50 10 JKGE Fc1cc(F)c([C@H](Br)c2ccc(I)c(Cl)c2)cc1F 236258206 SBVLOYHIVQRHOP-CYBMUJFWSA-N 461.446 5.846 50 10 JKGE O=C(CSc1nnc(SCc2ccccc2)s1)NN=Cc1ccc(C(F)(F)F)cc1 254352341 UOXXDDCHKBXRAK-UHFFFAOYSA-N 468.551 5.092 50 10 JKGE Cc1cccc(C)c1NCC(=O)NN=Cc1cc(N=Nc2cccc(C(F)(F)F)c2)ccc1O 254447016 PZDZBLSKAKUFOY-UHFFFAOYSA-N 469.467 6.005 50 10 JKGE CCC(C)(C)c1ccc(OCCCC(=O)NN=Cc2ccc(OC(F)F)cc2)c(C(C)(C)CC)c1 254505833 VQZYRAMQOCSXGM-UHFFFAOYSA-N 488.619 6.973 50 10 JKGE Cc1cc(C=NNC(=O)C(O)(c2ccccc2)c2ccccc2)c(C)n1-c1ccc(C(C)C)cc1 254765204 VMFYENXDBUUOQP-UHFFFAOYSA-N 465.597 5.604 50 10 JKGE C[C@@H](CCn1c(CCCl)nc2cc(Br)c(F)cc21)N(C)Cc1ccccc1 379614573 ZCBWTTUGCSBUBK-HNNXBMFYSA-N 452.799 5.630 50 10 JKGE C[C@H](Cl)c1nc2cc(I)c(F)cc2n1[C@H](C)COCc1ccccc1 390531195 IRCLNSWCKYVOEO-OLZOCXBDSA-N 472.729 5.858 50 10 JKGE Fc1cc(F)c(F)c([C@H](Br)c2cc(Br)cc(Br)c2)c1F 396091855 OWDGLLKVWJUNEE-LLVKDONJSA-N 476.887 6.252 50 10 JKGE BrCc1ccc(N2C[C@@H]3CC[C@H](C2)N3Cc2ccccc2)c(Br)c1 687236749 IZPBQSULRMQDEI-HDICACEKSA-N 450.218 5.197 50 10 JKGE CO[C@](C)(COCc1ccccc1)Cn1c(CCl)nc2cc(F)c(Br)cc21 702786697 YFUWRPNHJIGTMW-FQEVSTJZSA-N 455.755 5.299 50 10 JKGE C[C@@H]1Cc2cc(Br)cc([C@H](Br)c3ccc(Br)cc3)c2O1 720055921 YPTWMTKFGNZAOX-RFAUZJTJSA-N 460.991 6.019 50 10 JKGE COC[C@H](CC(CBr)(CBr)c1ccccc1Br)C(C)C 721850776 FMPLVSQFMPSPRJ-ZDUSSCGKSA-N 471.071 5.785 50 10 JKGE C=CCn1c(CCc2ccccc2)nnc1SCC(=O)NN=Cc1cccc(Oc2ccccc2)c1 1083989123 MCNCQWVVYDBNHE-UHFFFAOYSA-N 497.624 5.284 50 10 JKGE Cc1cc(C)cc(-n2c(C)cc(C=NNC(=O)c3ccc(CSCc4ccccc4)cc3)c2C)c1 1084046298 JOWCFWJSHMNPQG-UHFFFAOYSA-N 481.665 6.908 50 10 JKGE O=C(C=C(Sc1ccccc1)Sc1ccccc1)NN=Cc1cc(Br)ccc1O 1084426428 BUAOPEHYUWVLIG-UHFFFAOYSA-N 485.428 6.031 50 10 JKGE CCOc1ccc(C(=O)NN=Cc2cc(Cl)c(OCc3ccc(C#N)cc3)c(OCC)c2)cc1 1084544253 COPVOLZQYISXMB-UHFFFAOYSA-N 477.948 5.352 50 10 JKGE CCOc1cc(/C=C(\C#N)C(=O)NCCc2c[nH]c3ccccc23)cc(Br)c1OC(C)C 1084616870 ZAPPIJHLSINBMK-YBFXNURJSA-N 496.405 5.382 50 10 JKGE O=C(c1c2ccccc2cc2cccc(Br)c12)C(Br)Br 1616183628 XDYGPRSOVMHEGE-UHFFFAOYSA-N 456.959 6.054 50 10 JKGE Cc1cccc(C(=O)NN=C2CCCc3oc(C(=O)Nc4cccc5cccnc45)c(C)c32)c1 1772743861 MIFDVGQKNOMYQH-UHFFFAOYSA-N 452.514 5.167 50 10 JKGE Cc1cc(Cl)ccc1NC(=O)c1oc2c(c1C)C(=NNC(=O)c1ccc3ccccc3n1)CCC2 1772751800 YQERKILIZOYTQK-UHFFFAOYSA-N 486.959 5.821 50 10 JKGE CCOc1ccc(Br)cc1C=NNC(=O)CCCOc1ccc(C)cc1Br 1772755442 HTDPTUBOJOECDA-UHFFFAOYSA-N 498.215 5.228 50 10 JKGE COc1ccc(-c2nn(Cc3ccccc3F)c3c2[C@H](c2ccccc2F)C(C#N)=C(N)O3)cc1 1865682934 BGTLCEOGWSXVMD-HSZRJFAPSA-N 470.479 5.103 50 10 JKGE CCCc1nn(Cc2cccc(F)c2)c2c1[C@H](c1ccc(OCc3ccccc3)cc1)C(C#N)=C(N)O2 1865690562 VAOACUHCEAIHOT-HHHXNRCGSA-N 494.570 5.820 50 10 JKGE COc1ccc([C@@H]2C(C#N)=C(N)Oc3c2c(-c2ccccc2)nn3Cc2ccc(C)cc2)c(OC)c1 1865707826 HDKIXYMAYODFHI-RUZDIDTESA-N 478.552 5.142 50 10 JKGE COc1ccccc1-c1ccc(C(=O)NNC(=O)/C=C/c2cccc(OCc3ccccc3)c2)c(C)n1 1865760298 QUCNQYSHRSIIRM-OBGWFSINSA-N 493.563 5.119 50 10 JKGE CCOC(=O)c1c(-c2ccc([N+](=O)[O-])cc2)csc1NC(=O)/C(C#N)=C/c1ccc(F)cc1 1866127834 IGECJUFKFJOAME-LFIBNONCSA-N 465.462 5.185 50 10 JKGE CCC[C@H](NC(=O)c1ccc2oc(-c3ccc(C)cc3)nc2c1)C(=O)Nc1ccc(SC#N)cc1 1866880629 MJCSHMCQURVJCK-QFIPXVFZSA-N 484.581 5.914 50 10 JKGE COCCCN1[C@@H](C)CN(c2cc(Nc3ccc(SC#N)cc3)nc(-c3ccccc3)n2)C[C@@H]1C 1868364706 DOWZWMSGYRDARC-SFTDATJTSA-N 488.661 5.396 50 10 JKGE CN(CCc1cnc[nH]1)c1cc(Nc2ccc(SC#N)cc2)nc(-c2ccccc2Cl)n1 1868415006 SUQTZAUXOHLMLF-UHFFFAOYSA-N 461.982 5.516 50 10 JKGE CCCCOc1ccc(/C(O)=C(\C#N)c2nc(-c3ccc(OC)c(OC)c3)cs2)cc1OCC 1872745461 NWQXEGZNIZCMHP-PLRJNAJWSA-N 480.586 6.355 50 10 JKGE COc1ccc(-c2csc(/C(C#N)=C(\O)CNC(=O)c3ccc(Cl)cc3Cl)n2)cc1 1872746243 ZFQBPDMDVOGUSI-MNDPQUGUSA-N 460.342 5.348 50 10 JKGE CC[C@@H](C)N1C(=O)c2ccc(/C(O)=C(\C#N)c3nc(-c4ccc(OC)c(C)c4)cs3)cc2C1=O 1872746715 UQVNDGIVZQHPLT-LYLVPTPKSA-N 473.554 5.472 50 10 JKGE COc1c(Cl)cc(Cl)cc1-c1csc(/C(C#N)=C(\O)c2cccc(OCC(C)C)c2)n1 1872754113 CLUKTDPVTVOGIQ-UZYVYHOESA-N 475.397 7.110 50 10 JKGE COc1cc(OC)c(-c2csc(/C(C#N)=C(\O)c3cc([N+](=O)[O-])ccc3Cl)n2)cc1Cl 1872756524 NTBYTBQNPLNFEJ-UYRXBGFRSA-N 478.313 5.992 50 10 JKGE C=CCOc1ccccc1OC/C(O)=C(\C#N)c1nc(-c2cc(Cl)cc(C)c2OC)cs1 1872757081 PULOZTMBCYXSHJ-ZZEZOPTASA-N 468.962 6.217 50 10 JKGE COc1cccc(/C=C(\C#N)c2nc(-c3ccc(C(C)(C)C)cc3)cs2)c1OCc1cccc(C)c1 1872792115 FSELEDDKMMLTQW-KOEQRZSOSA-N 494.660 8.068 50 10 JKGE N#C/C(=C\c1ccc(OC(=O)c2ccccc2)cc1)c1nc(-c2ccc3c(c2)OCCO3)cs1 1872792304 QWAZLJFFNFLONV-KGENOOAVSA-N 466.518 5.865 50 10 JKGE CCCCCOc1ccc(/C=C(\C#N)c2nc(-c3ccc(Oc4ccccc4)cc3)cs2)cc1OC 1872793386 XHOMHSRLRLMQHT-HKOYGPOVSA-N 496.632 8.244 50 10 JKGE CCCOc1ccc(-c2csc(/C(C#N)=C(\O)Cc3ccccc3F)n2)cc1OCCC 1872818121 NPCKJIOJAIUIRL-QOCHGBHMSA-N 452.551 6.562 50 10 JKGE Cc1sc([C@@H](Br)c2cc(I)sn2)cc1Br 1909888706 GYWMOAZRNYSNEG-VIFPVBQESA-N 479.000 5.364 50 10 JKGE Cl[C@@H](c1ccc(Br)s1)c1sc(Br)cc1Br 1922922210 ZDYZJCVYPLKIMC-QMMMGPOBSA-N 451.430 6.425 50 10 JKGE Cc1c(Br)sc([C@H](Br)[C@@H]2CC[C@H]3C[C@H]3CC2)c1Br 1922929954 NPGHABMNPQTGIL-DTHBNOIPSA-N 457.069 6.844 50 10 JKGE Cc1ccc([C@H](Cl)c2sc(Br)c(C)c2Br)c(Br)c1 1922942739 SGMAUKVKQDHDMI-NSHDSACASA-N 473.455 6.981 50 10 JKGE C[C@@H](c1ccncc1Br)[C@@H](Cl)c1cccc(Br)c1Br 1924066251 FKGYTOKIIBGHLU-RMLUDKJBSA-N 468.414 6.453 50 10 JKGE Clc1sc(Br)c(Cl)c1[C@H](Br)[C@@H]1CCCc2ccccc21 1925599493 NMCQXPSLZLJPKH-ZYHUDNBSSA-N 455.042 7.374 50 10 JKGE Clc1sc(Br)c(Cl)c1[C@H](Br)c1ccc2c(c1)OCCO2 1925600764 SWMLDTXJGQHNPE-SNVBAGLBSA-N 458.986 6.073 50 10 JKGE COc1ccc(Br)cc1[C@H](Br)c1scc(C)c1Br 2039336301 RAIBQVJOXOGVBR-LBPRGKRZSA-N 455.009 6.074 50 10 JKGE CS(=O)(=O)C1([C@@H](Br)c2c(Cl)sc(Br)c2Cl)CCC1 2047876932 XRGKYQQEVXMKCL-ZETCQYMHSA-N 457.036 5.221 50 10 JKGE CCc1cc(Br)c([C@H](Br)c2nn(C)c(Br)c2C)s1 2049256563 UDKNLEVZCOJXOL-SECBINFHSA-N 457.029 5.362 50 10 JKGE CO[C@@H]1CCC[C@H]([C@@H](Cl)c2c(Br)sc(Br)c2Br)C1 2062718892 TXWLAOVIZFRHRI-NYNCVSEMSA-N 481.475 6.521 50 10 JKGE CCn1ncc(Br)c1[C@@H](Br)c1c(Br)sc(C)c1C 2082870079 DQDNFFCWLYIFSO-JTQLQIEISA-N 457.029 5.591 50 10 JKGE Cc1ccc(Br)cc1[C@H](Br)c1ccc(Br)cc1Br 2083333912 KLZZOXYMTMJLHB-CQSZACIVSA-N 497.850 6.767 50 10 JKGE Brc1cccc(Br)c1CN1C[C@@H]2CC[C@H](Br)C[C@H]2C1 2094088221 IQVYVDMHBHYDFF-SRVKXCTJSA-N 452.028 5.207 50 10 JKGE CC(C)(C)N1C[C@@H](Br)[C@@H](Cc2c(Br)cccc2Br)C1 2100730207 JAVVHXHRSCYXED-IINYFYTJSA-N 454.044 5.248 50 10 JKGE CN(Cc1ccccc1)C(C)(C)Cn1c(CCl)nc2cc(Br)c(Cl)cc21 2103619720 CKGXWCZAOPLJHE-UHFFFAOYSA-N 455.227 6.102 50 10 JKGE Fc1ccc(Br)cc1Oc1cc(Br)cc(F)c1CBr 2114263968 HBGHNSLZHCEMOF-UHFFFAOYSA-N 456.906 6.177 50 10 JKGE O=C(c1cc(Br)sc1Br)N1C[C@H](Br)CCC12CCC2 2117904605 RUJKGULOBVHDMM-MRVPVSSYSA-N 472.040 5.195 50 10 JKGE C[C@H](c1cscc1Br)N(C)c1ccc(CBr)cc1Br 2130023506 HAFUMKUNGZHPCU-SECBINFHSA-N 468.052 6.365 50 10 JKGE Brc1cc([C@H](Br)[C@@H]2C[C@@H]2C2CCCCCC2)sc1Br 2135279527 NBTHTDSGLUNMKG-JTNHKYCSSA-N 471.096 7.316 50 10 JKGE CC(C)(C)OC(=O)N1CCC(CI)(O[C@@H]2CCC[C@@H]3CCCC[C@H]32)CC1 2136421567 FWIXOVFYRVQJHU-RCCFBDPRSA-N 477.427 5.567 50 10 JKGE Cc1cc(Cl)c([C@H](Br)c2ccc(I)c(Cl)c2)cc1Cl 2136691851 JKYYDLYLQTYJPP-CQSZACIVSA-N 490.393 7.044 50 10 JKGE Cc1cc(Cl)c(Br)cc1[C@@H](Br)Cc1ccccc1Br 2137645502 LVDRVCBEXFGUKU-ZDUSSCGKSA-N 467.426 6.852 50 10 JKGE Fc1ccc(C(CBr)(CBr)Cc2csc(Br)c2)cc1 2139780409 OHMSCVDXLUUVBR-UHFFFAOYSA-N 471.027 5.920 50 10 JKGE Fc1cc(Cl)c([C@@H](Cl)c2ccc(Br)cc2I)cc1F 2142288335 RLXWRDAUOYVWMZ-ZDUSSCGKSA-N 477.901 6.314 50 10 JKGE COc1cc(Br)c(C)cc1[C@H](Cl)Cc1ccccc1I 2145964491 XYCYGMPDEATRJU-CQSZACIVSA-N 465.556 5.893 50 10 JKGE C[C@H]1Cc2cc([C@@H](Br)c3ccccc3OCc3ccccc3)cc(Br)c2O1 2146624796 DPUKPZPGOYKFBB-OYHNWAKOSA-N 488.219 6.836 50 10 JKGE COc1ccc([C@H](Br)c2cccc(Br)c2Br)cc1OC 2148749741 JBYQWUWMZPPEOF-AWEZNQCLSA-N 464.979 5.713 50 10 JKGE C[C@@H]1CCC[C@](CBr)(NC(=O)c2c(Br)cccc2Br)C1 2150491355 NVHVENBKOGOQIN-BMIGLBTASA-N 468.027 5.285 50 10 JKGE CCn1ncc(Br)c1COc1c(F)cc(Br)cc1CBr 2150694573 AVPNDEHBPKXHFY-UHFFFAOYSA-N 470.962 5.041 50 10 JKGE C[C@@H](N(Cc1ccccc1)S(=O)(=O)c1cc(Br)cc(CCl)c1F)C(C)(C)C 2152242004 BRCVQEFIIBVWJM-CQSZACIVSA-N 476.839 5.953 50 10 JKGE Fc1cc(Br)c2nc(CCl)n([C@@H]3CCCCN(Cc4ccccc4)C3)c2c1 2158572649 MNYQHOBKPDEXLC-QGZVFWFLSA-N 450.783 5.904 50 10 JKGE CCCC(CBr)(CCC)CN=[S@](C)(=O)[C@H]1CCCN(C(=O)OC(C)(C)C)C1 2163058776 NRIYMVMJUPZUCJ-CBZJRKILSA-N 467.514 5.465 50 10 JKGE CCn1cc(Br)c(C[C@@H](CBr)Cc2cccc(Br)c2)n1 2181155260 PJVKVEVFAYOOGQ-LBPRGKRZSA-N 465.027 5.224 50 10 JKGE FC1(F)CC2(C[C@@H]2COc2c(Br)cc(Br)cc2CBr)C1 2189561043 CVJULRLOXIZNPH-SECBINFHSA-N 474.965 5.921 50 10 JKGE COc1cc(C)c([C@@H](Br)c2cc(Br)ccc2Cl)cc1Br 2198736853 JAGZHGJWHFPZFL-OAHLLOKOSA-N 483.425 6.666 50 10 JKGE Fc1ccccc1[C@H](CI)OCc1cc(Cl)ccc1Br 2200752310 MYUJVZPEDXEZCK-HNNXBMFYSA-N 469.519 5.935 50 10 JKGE COc1cc(F)c([C@@H](Br)c2ccc(Cl)cc2Br)cc1Br 2202903532 GCNLQIYPBCOAFW-AWEZNQCLSA-N 487.388 6.497 50 10 JKGE COc1cc(F)c(F)cc1[C@@H](Br)c1ccc(I)c(Cl)c1 2204492843 AQNCLJGJKVAFKX-AWEZNQCLSA-N 473.482 5.716 50 10 JKGE Cl[C@@H](c1ccc(-c2cccs2)s1)c1cc(Br)ccc1I 2205862046 APCZFUCSRCMUML-OAHLLOKOSA-N 495.632 7.172 50 10 JKGE COc1c(C)cc(Br)cc1[C@H](Br)c1cc(Br)ccc1C 2206599832 WIJUHOQRWOHPLU-OAHLLOKOSA-N 463.007 6.321 50 10 JKGE Cc1sc(C(=O)N(C)C[C@@H](Br)COCc2ccccc2)c(Br)c1C 2215942217 GGBCNXDEEOGIJW-OAHLLOKOSA-N 475.246 5.180 50 10 JKGE Cc1c(Br)sc([C@H](Br)c2cc(Cl)cc(Br)c2)c1C 2218788390 CPYWNUMRHBACKA-LLVKDONJSA-N 473.455 7.028 50 10 JKGE CCc1nc([C@@H](Cl)c2c(Br)cc(Cl)c(Cl)c2Cl)c(Br)s1 2232511982 MCVYXDOBMIWVTM-JTQLQIEISA-N 498.882 7.519 50 10 JKGE Fc1cc(Br)c(Br)cc1[C@H](Br)c1ccc(C(F)(F)F)o1 2233973526 AWASLKCYROWNFK-NSHDSACASA-N 480.875 6.447 50 10 JKGE CS(=O)(=O)c1sccc1[C@@H](Br)Cc1ccc(Br)cc1Cl 2237461031 RTGRCYDCZXTZHA-NSHDSACASA-N 458.624 5.246 50 10 JKGE Brc1cc([C@H](Br)C[C@H]2CCCCC23CC3)sc1Br 2253869179 IXMGSWYYVRVYMP-NXEZZACHSA-N 457.069 7.070 50 10 JKGE COc1c(Br)cc(Cl)cc1[C@H](Br)c1nn(C)cc1Br 2264356175 IXILNODFEPVEDL-JTQLQIEISA-N 473.390 5.091 50 10 JKGE Cc1cc(F)c([C@H](Br)c2ccc(Cl)c(I)c2)cc1Cl 2268277474 YKODMLZDGBZIJU-CQSZACIVSA-N 473.938 6.530 50 10 JKGE Fc1cc(Br)c(F)c(Br)c1[C@H](Br)C1CC2(CCC2)C1 2272727171 SMGRKSHQCHWSJL-LLVKDONJSA-N 458.966 6.506 50 10 JKGE CN(CCCCCCCCCBr)Cc1ccccc1I 2280349086 HQJKLWJPTBIGPI-UHFFFAOYSA-N 452.218 5.849 50 10 JKGE COc1c([C@H](Br)c2cccc(OCc3ccccc3)c2)cc(Br)c(C)c1C 2284587156 AWRVBSWJGGXENA-JOCHJYFZSA-N 490.235 7.138 50 10 JKGE FC[C@@]12CC[C@@]([C@H](Br)Cc3cc(Br)cc(Br)c3)(CO1)C2 2295332957 DJHLXADHQGKYRH-ILXRZTDVSA-N 471.002 5.426 50 10 JKGE COc1c(Br)cc([C@H](Br)c2ccc(Br)o2)c(OC)c1C 2295432674 KPTQSJZKRVVCOI-LBPRGKRZSA-N 468.967 5.615 50 10 JKGE N#CC(=Cc1cn(Cc2ccccc2F)c2ccccc12)c1nn(-c2ccccc2)c(N)c1C#N 2296739277 NWKYVUDMVSWUCG-UHFFFAOYSA-N 458.500 5.532 50 10 JKGE CCOC(=O)c1c(NC=C(C#N)c2nc(-c3ccc(-c4ccccc4)cc3)cs2)sc(C)c1C 2296790091 NUVUAOHAAPQQOD-UHFFFAOYSA-N 485.634 7.309 50 10 JKGE CC1(C)CO[C@@H]([C@@H](Br)c2ccc(OCc3ccccc3)cc2Br)C1 2299490178 WPXVMVLRYAIHEH-MOPGFXCFSA-N 454.202 6.279 50 10 JKGE Cc1cc([C@H](Br)c2ccc(OCc3ccccc3)cc2Br)sc1Cl 2299490562 ZNWIVSWAIOFBAE-GOSISDBHSA-N 486.656 7.536 50 10 JKGE C=CCc1cc(C=C(C#N)C(=O)Nc2ccc(C)cc2)cc(OCC)c1OCc1cccc([N+](=O)[O-])c1 2313567844 MEKQYNMTWGRCAL-UHFFFAOYSA-N 497.551 6.155 50 10 JKGE CCOc1ccc(-c2nn(-c3ccccc3)cc2C=C(C#N)c2nc(O)c3ccccc3n2)cc1 2314433444 NDDAKIBOAXKFBG-UHFFFAOYSA-N 459.509 5.651 50 10 JKGE CC1(C)[C@H]2CO[C@@]1([C@@H](Br)c1cc(Br)ccc1OCc1ccccc1)C2 2314443964 LURUDZAXMWGMSL-MFMILTCTSA-N 466.213 6.279 50 10 JKGE Brc1ccc(OCc2ccccc2)c([C@H](Br)CC2CC3(CCC3)C2)c1 2314456254 VPWFMMYAFRPUCI-HXUWFJFHSA-N 464.241 7.435 50 10 JKGE N#CC(=Cc1ccc(N2N=C(c3ccccc3)C[C@H]2c2ccccc2)cc1)C(=O)NCc1ccco1 2314482652 QSRPHMJOAUIOQQ-LJAQVGFWSA-N 472.548 5.859 50 10 JKGE CCOC(=O)c1c(NC(=O)C(C#N)=Cc2ccc(-c3ccccc3F)o2)sc2c1CC[C@@H](CC)C2 2314571647 JGXYOTKCLFRUTC-MRXNPFEDSA-N 492.572 6.384 50 10 JKGE N#CC(=Cc1ccc(-c2ccc(Br)cc2)o1)C(=O)Nc1ccc(Cl)c(Cl)c1 2314572033 QZYLIDFLMWQFMX-UHFFFAOYSA-N 462.130 6.562 50 10 JKGE CC1=C(C#N)C(=O)N(CC(C)C)C(=O)C1=Cc1cn(-c2ccccc2)nc1-c1ccc(C)c(F)c1 2314611744 ZQWNILUGYOHHFP-UHFFFAOYSA-N 468.532 5.235 50 10 JKGE CC1=C(C#N)C(=O)N(Cc2ccco2)C(=O)C1=Cc1ccc(-c2ccc(Br)cc2)o1 2314618403 MZICFUWHPQFTBQ-UHFFFAOYSA-N 463.287 5.095 50 10 JKGE Cc1ccc(C=CC(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@H]3c2cccc(Br)c2)cc1 2314634034 FBUHWXPXMROAJF-VWLOTQADSA-N 487.353 5.595 50 10 JKGE FC(F)(F)[C@@H]1CCO[C@H]1[C@@H](Br)c1sc(Cl)cc1I 2316597064 MUFBGSHRRIVJIU-FOPMIJGASA-N 475.495 5.410 50 10 JKGE Cc1cc(Br)c(F)c(Br)c1[C@H](Br)c1csc(Cl)c1 2317398792 LAOPPCYNLODKHE-SNVBAGLBSA-N 477.418 6.858 50 10 JKGE N#CC(=Cc1ccc(OC(=O)C=Cc2ccc(Cl)cc2Cl)cc1)c1cccc(Cl)c1 2320506698 PMNVTQCHZZYKCN-UHFFFAOYSA-N 454.740 7.330 50 10 JKGE COc1cc(C=NNC(=O)c2ccc(-c3ccc(Cl)cc3Cl)nc2C)cc(OC)c1OC 2321242180 IZHQDWKJNVTQKJ-UHFFFAOYSA-N 474.344 5.154 50 10 JKGE COc1ccc(-c2csc(C(C#N)=C(O)[C@@H]3CC(=O)N([C@@H](C)c4ccccc4)C3)n2)cc1F 2331336847 CYXZNJWUXONCKG-MAUKXSAKSA-N 463.534 5.360 50 10 JKGE C=CCOc1ccccc1OCC(O)=C(C#N)c1nc(-c2cc(Cl)cc(Cl)c2OC)cs1 2331362578 DBYLOBQTQMYPGH-UHFFFAOYSA-N 489.380 6.562 50 10 JKGE COc1cc(Cl)c(C)cc1-c1csc(C(C#N)=C(O)c2ccc(N(C)C)c([N+](=O)[O-])c2)n1 2331390238 RYBMVKLAQSMIGJ-UHFFFAOYSA-N 470.938 5.705 50 10 JKGE CCCOc1ccc(CC(O)=C(C#N)c2nc(-c3cc(Cl)c(OC)c(Cl)c3)cs2)cc1 2331396882 KMIVLVPSVORSTP-UHFFFAOYSA-N 475.397 6.950 50 10 JKGE COc1cc(C)c(-c2csc(C(C#N)=C(O)COc3ccc(C)cc3C(C)(C)C)n2)cc1C 2331403052 VZEQMPMOMHSOQL-UHFFFAOYSA-N 462.615 6.913 50 10 JKGE N#CC(=Cc1ccc(OCc2ccc(Cl)cc2Cl)cc1)c1nc(-c2ccc(Cl)cc2)cs1 2331439996 OCOSEUCJAWPNAJ-UHFFFAOYSA-N 497.834 8.413 50 10 JKGE COc1ccc(-c2csc(C(C#N)=Cc3ccc(OCc4ccc(C)cc4)cc3)n2)c(C)c1C 2331467499 XREYMONDXFUZSC-UHFFFAOYSA-N 466.606 7.387 50 10 JKGE CC(C)(C)c1cc(P(c2cc(C(C)(C)C)cc(C(C)(C)C)c2)C2CCCC2)cc(C(C)(C)C)c1 2333318891 IWPJBOKLLTVJMY-UHFFFAOYSA-N 478.745 9.252 50 10 JKGE Fc1c(Br)cc(Cl)c([C@@H](Br)CCC2CCCC2)c1Br 2337091522 BWQAQODSIRZKBK-VIFPVBQESA-N 477.437 7.411 50 10 JKGE Fc1c(Br)cc(Cl)c([C@H](Br)[C@@H]2C[C@@H]3C[C@H]3CO2)c1Br 2337112225 QZVNGQDVTZUNJI-JXFNMTJHSA-N 477.393 5.865 50 10 JKGE Fc1cc(OCc2ccc(Cl)c(I)c2)ccc1CBr 2337277133 PHXDYQFCDZIYOW-UHFFFAOYSA-N 455.492 5.558 50 10 JKGE FC(F)(F)[C@]12C[C@]([C@H](Br)c3sc(Br)cc3Br)(CO1)C2 2338518461 KXPGRXMYDLEXGK-OPRDCNLKSA-N 484.957 5.821 50 10 JKGE Clc1c(Br)sc(Br)c1[C@@H](Br)[C@@H]1COC2(CCC2)CO1 2338811512 CTFVWDQEATUFPY-XPUUQOCRSA-N 495.458 5.701 50 10 JKGE COc1c(Br)cc(C)c([C@H](Br)[C@H]2CC[C@@H](F)C2)c1Br 2339656310 MNQGMNVXGFBWIP-YGOYTEALSA-N 458.991 6.103 50 10 JKGE CC1(C)CC[C@@H](Cc2ccc(Cl)cc2I)[C@H](Br)CC1 2341028911 ZVJJZGMLUXFDRW-SMDDNHRTSA-N 455.605 6.467 50 10 JKGE Cc1cc(OCc2cc(I)ccc2Br)ncc1CCl 2341778794 JKLXKHXVTMFEOO-UHFFFAOYSA-N 452.517 5.075 50 10 JKGE Brc1cc(CN2C[C@H]3[C@H](Br)CCC[C@H]3C2)ccc1I 2349834253 JQQWSPXAKLLHPF-YNEHKIRRSA-N 499.028 5.049 50 10 JKGE CC(C)(C)OC(=O)N1CCC[C@@](CBr)(OCc2cc(F)c(Cl)cc2Cl)C1 2349883387 AJPQPTWVOXUWDH-SFHVURJKSA-N 471.194 5.814 50 10 JKGE Clc1ccc(I)cc1CN1[C@H](CBr)C[C@H]2CCC[C@H]21 2352409112 DCDYQUAPRUOUFT-RIEGTJTDSA-N 454.577 5.083 50 10 JKGE Cc1cc(I)c(O[C@@H]2C[C@H](Br)[C@]23CCC[C@H]3C)cc1Cl 2361703287 MRDCKQIIFDXSMD-CXOGBFNASA-N 469.588 5.974 50 10 JKGE Fc1c(Br)cc(Cl)c([C@@H](Br)[C@H]2CC[C@@H]3[C@H]2C3(F)F)c1Br 2362227584 HBSQKRBQVKJQOW-NJRKRBMHSA-N 497.374 6.731 50 10 JKGE ClCc1csc(CCCCOc2cc(Br)cc(I)c2)n1 2364011141 IVXHKUJMOZBMFA-UHFFFAOYSA-N 486.600 5.651 50 10 JKGE COc1c(Br)cc(C)c([C@H](Br)[C@@H]2C[C@H]3CC[C@@H]2C3)c1Br 2365174957 BNNFGLLGMNUBLW-ICUOPCATSA-N 467.039 6.401 50 10 JKGE CC[C@]12CO[C@]([C@@H](Br)c3c(C)cc(Br)c(F)c3Br)(C1)C2 2365228338 OUDISZNNUUPQPE-SOUVJXGZSA-N 471.002 6.054 50 10 JKGE CC(C)[C@H](Cl)C(C)(C)CNC(=O)c1cc(I)ccc1Br 2366009614 OEZTZPNJLPYOHC-ZDUSSCGKSA-N 472.592 5.073 50 10 JKGE Clc1cccc([C@H](CBr)OCc2c(Br)cccc2Br)c1 2366145542 UNHQSDVWJUXGOV-HNNXBMFYSA-N 483.425 6.518 50 10 JKGE CN(CC[C@H](Br)c1cccs1)Cc1c(Br)cccc1Br 2366195186 CNPXXJJHIMDZMU-AWEZNQCLSA-N 482.079 6.231 50 10 JKGE Clc1cc(Cl)cc(CC[C@H](Br)c2ccc(Br)c(Cl)c2)c1 2366887848 GVLBBECWNCCVLW-ZDUSSCGKSA-N 457.420 7.478 50 10 JKGE Cc1cc(Br)c(C)c([C@@H](Br)C23CC(C[C@H](C)O2)C3)c1Br 2368126905 WMZDTIXMRHZYIT-PSUFHBMQSA-N 467.039 6.222 50 10 JKGE Clc1cc([C@@H](Br)c2cc3c(cc2Br)OCCC3)sc1Cl 2369617899 FJEJDYXNKFWOBX-ZDUSSCGKSA-N 457.014 6.627 50 10 JKGE Cc1csc([C@H](Br)c2cc3c(cc2Br)OCCC3)c1Br 2369618624 MPFUTOTWUQKOLF-CQSZACIVSA-N 481.047 6.391 50 10 JKGE CCOC(=O)/C(C#N)=C1/S[C@@H](Cc2ccc(Cl)cc2)C(=O)N1c1ccc(Br)cc1 2888392 AEBHOASBASKCHA-ONZPZFSWSA-N 491.794 5.092 50 10 JKGE CCc1ccc([C@H]2C(C#N)=C(N)N(c3cc([N+](=O)[O-])ccc3Cl)C3=C2C(=O)CCC3)s1 6284224 OKXSBZCIZVZEET-HXUWFJFHSA-N 454.939 5.177 50 10 JKGE COc1cc(/C=C(\C#N)c2nc3cc(C)c(C)cc3[nH]2)ccc1OCC(=O)Nc1ccccc1C 9187387 UOILOOLLLKJFIK-FYJGNVAPSA-N 466.541 5.578 50 10 JKGE CCCCCCOc1ccc(C(=O)NNC(=O)[C@H](C)Oc2c(C)cc(Br)cc2C)cc1 14643394 PCCPMKOBCMXLJQ-SFHVURJKSA-N 491.426 5.254 50 10 JKGE CCCCCCOc1ccc(Br)cc1C(=O)NNC(=O)COc1cccc2ccccc12 14648330 KFGSSHXZLBJJOE-UHFFFAOYSA-N 499.405 5.401 50 10 JKGE COc1cc(/C=C(\C#N)C(=O)NCc2ccc(Cl)cc2)ccc1OC(=O)C1CCCCC1 20228537 IADLVNMSQYVNES-DEDYPNTBSA-N 452.938 5.058 50 10 JKGE C[C@@H](Oc1ccc(OCc2ccccc2)cc1)C(=O)N/N=C/c1ccc(-c2ccc([N+](=O)[O-])cc2)o1 20311478 MQQAPGAFUNOJOO-WKTMJKCCSA-N 485.496 5.351 50 10 JKGE CCOc1cccc(C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@@H]3c2c(Cl)cccc2Cl)c1 38679912 RKDMRGGEYBAGLX-JOCHJYFZSA-N 481.335 5.829 50 10 JKGE CCCCCOc1ccccc1[C@@H]1C(C#N)=C(N)Oc2cc(OC(=O)c3cccc(C)c3)ccc21 38685993 OZVJPEUIFJEZMA-MHZLTWQESA-N 468.553 6.001 50 10 JKGE BrCc1cc(OCc2ccccc2)c(OCc2ccccc2)c(OCc2ccccc2)c1 39166915 ZAOZOCXEBNAHRL-UHFFFAOYSA-N 489.409 7.319 50 10 JKGE Cc1cc(OC(=O)c2oc3c(c2C)/C(=N/NC(=O)c2ccccc2)CCC3)cc(C)c1Cl 40804358 JMVJIZILFWZMKG-ZXVVBBHZSA-N 450.922 5.548 50 10 JKGE COc1cc(/C=C(\C#N)c2ccc(Cl)cc2)ccc1OC(=O)c1cc([N+](=O)[O-])ccc1Cl 40851567 WMFSIPVOBQHDOP-MHWRWJLKSA-N 469.280 6.194 50 10 JKGE COc1cc(/C=N/NC(=O)COc2ccccc2C)ccc1OCc1c(Cl)cccc1Cl 40911608 SQNBOBFGPSPBHB-UVHMKAGCSA-N 473.356 5.419 50 10 JKGE Cc1nn(Cc2ccccc2Cl)c(C)c1/C=N/NC(=O)COc1ccc(C(C)(C)C)cc1 59160947 YTZHZVJELQKXPA-MZJWZYIUSA-N 452.986 5.028 50 10 JKGE N#C/C(=C/c1cn(Cc2ccccc2F)c2ccccc12)c1nn(-c2ccccc2)c(N)c1C#N 96602797 NWKYVUDMVSWUCG-ZHZULCJRSA-N 458.500 5.532 50 10 JKGE Fc1cc(Br)c(Cl)cc1[C@H](Cl)c1csc(I)c1 97895082 FEOOWYAFOHZYNK-LLVKDONJSA-N 465.940 6.236 50 10 JKGE CCSc1ccc(-c2nn(-c3ccccc3)cc2/C=C2/C(=O)N([C@H](C)CC)C(=O)C(C#N)=C2C)cc1 101334283 KTBUOWDAMZXQMQ-DUYBAWCLSA-N 496.636 6.042 50 10 JKGE COc1cc(Br)c([C@@H](Cl)c2csc(I)c2)cc1OC 124394091 ACCGWODQJOVULK-ZDUSSCGKSA-N 473.557 5.461 50 10 JKGE Cc1cc(Br)c([C@H](Cl)c2cc(Br)ccc2C)cc1Br 128637006 QNGYAENFLQGCAE-OAHLLOKOSA-N 467.426 6.919 50 10 JKGE COc1c(Br)cc(Cl)cc1[C@@H](Br)c1cc(C)cc(Br)c1 131968479 LVDVZHNSGDMAQY-AWEZNQCLSA-N 483.425 6.666 50 10 JKGE BrCC(CBr)(Cc1cn2ccsc2n1)c1ccccc1Br 149648957 SLYIXQMBUOSHSU-UHFFFAOYSA-N 493.062 5.429 50 10 JKGE Clc1ccc(Br)cc1[C@@H](Br)c1csc2c(Br)cccc12 163527516 NVCASVCMCLWJMO-CQSZACIVSA-N 495.461 7.564 50 10 JKGE O=[P@](c1ccccc1)(c1ccc(Br)cc1)[C@H]1OB(c2ccccc2)Oc2ccccc21 195832459 POJGFQSULLRNFK-OOWIMERYSA-N 489.114 5.266 50 10 JKGE CCCCCCOc1ccc(/C=C(/C#N)C(=O)Nc2ccc(C(=O)OCCCC)cc2)cc1OC 206237263 PMZHQKSCFWXOFK-NKFKGCMQSA-N 478.589 6.157 50 10 JKGE CCOc1ccc(/C=C(/C#N)C(=O)Nc2nc(-c3ccc(OC(C)C)cc3)cs2)cc1OC 206698828 JUXBFDNDGJAGFS-UNOMPAQXSA-N 463.559 5.550 50 10 JKGE CCOC(=O)/C(C#N)=C\c1cccc(OC(=O)/C=C/c2ccc(OCc3ccc(C)cc3)cc2)c1 206745192 LUUXCCBPBBMSGY-WHXQNIATSA-N 467.521 5.663 50 10 JKGE CCC(C)(C)c1ccc(OCCCC(=O)Oc2ccc(/C=C(/C#N)C(=O)OC)cc2OC)cc1 207297541 CDKNUSPTFYLFPH-SILNSSARSA-N 465.546 5.227 50 10 JKGE FC(F)(F)c1ccc(Br)c([C@H](Cl)c2cc(Br)c(Cl)s2)c1 227840909 RCPIIWFJUIPXPP-JTQLQIEISA-N 468.947 7.274 50 10 JKGE Brc1cc([C@H](Br)Cc2ccc3ccccc3n2)c(Br)s1 232480019 AFZGWHAZACYMOV-GFCCVEGCSA-N 476.031 6.500 50 10 JKGE C[C@H](Cl)c1ccccc1NC(=O)c1cc(I)ccc1Br 235490793 KCFGQMURUOOVJY-VIFPVBQESA-N 464.528 5.606 50 10 JKGE C[C@@H](c1ccncc1)[C@@H](Br)c1cc(I)ccc1Br 235550065 QZMGFNZNFQNJBF-LKFCYVNXSA-N 480.969 5.688 50 10 JKGE Cc1cc([C@@H](Br)c2cc(Cl)ccc2I)sc1Cl 235863273 PPCLAKJKYPAQOA-NSHDSACASA-N 461.977 6.452 50 10 JKGE Clc1ccc(I)c([C@@H](Br)Cc2ccccc2Cl)c1 236068943 CNHGIUARJYAYDB-LBPRGKRZSA-N 455.948 6.277 50 10 JKGE CCCCOc1ccc(C(=O)NN=Cc2c(OC(=O)c3ccccc3)ccc3ccccc23)cc1 254353007 SAGSRGJDGPGZLV-UHFFFAOYSA-N 466.537 6.002 50 10 JKGE Cl[C@H](c1ccc(Br)s1)c1cc(I)cc2c1OCC2 310992285 LTIIDRIILTWNFV-LBPRGKRZSA-N 455.542 5.378 50 10 JKGE Cc1ccc(C[C@H](CBr)Cc2ccc(Br)cc2)cc1Br 313697753 WSGPNOGRRXFLMD-OAHLLOKOSA-N 461.035 6.316 50 10 JKGE CS(=O)(=O)c1cccc2c1nc(CCl)n2CCCN(Cc1ccccc1)Cc1ccccc1 390472790 CKKMKDWJLVCOFB-UHFFFAOYSA-N 482.049 5.271 50 10 JKGE CC(C)(C)OC(=O)N1CC[C@@H](c2cccc(CCO[Si](C)(C)C(C)(C)C)c2)c2ccccc21 616590227 YDOHCMXVARNTMG-QHCPKHFHSA-N 467.726 7.528 50 10 JKGE CC(C)(C)[Si](C)(C)OCCc1ccc([C@H]2COCCN(S(=O)(=O)c3ccccc3)C2)cc1 616595313 UMIKJTHKEVMVOE-HSZRJFAPSA-N 475.727 5.056 50 10 JKGE CC(C)(C)[Si](C)(C)OCCc1cccc([C@H]2CCCCN(S(=O)(=O)c3ccccc3)C2)c1 616630462 YOUPMMFHUCKXFF-DEOSSOPVSA-N 473.755 6.209 50 10 JKGE Brc1ccc([C@H](Br)c2cc(Br)c3c(c2)CCCO3)cc1 689539376 DAUCQFICFAAKBB-HNNXBMFYSA-N 460.991 6.021 50 10 JKGE CC(C)OCCCC(CBr)(CBr)c1ccc(Br)cc1 690594290 HJFAANSWNONTMJ-UHFFFAOYSA-N 457.044 5.682 50 10 JKGE Fc1cccc(CC(CBr)(CBr)C2CCCCC2)c1Br 696838287 PXIFOQJFDUUGIE-UHFFFAOYSA-N 471.046 6.487 50 10 JKGE FC(F)(F)c1csc([C@@H](Br)c2ncsc2Br)c1Br 698647637 JXTKIQPLEYZACN-YFKPBYRVSA-N 485.970 6.233 50 10 JKGE O=C(NC1(CBr)CCCCC1)c1scc(Br)c1Br 705408480 IIYAXRCLBNYINV-UHFFFAOYSA-N 460.029 5.101 50 10 JKGE C[C@H]1CN(Cc2ccccc2)C[C@@H]1Cn1c(CCl)nc2cc(I)c(F)cc21 708571854 CKRDRKVSTTUYIA-GOEBONIOSA-N 497.783 5.287 50 10 JKGE CCCCCOc1ccc([C@H]2CN(Cc3ccccc3)C[C@H]2CI)cc1 725425515 PFTUKDRVOIXRGK-FYYLOGMGSA-N 463.403 5.906 50 10 JKGE COc1ccc(C(C)=NNC(=O)c2ccc(CN3CCC(Cc4ccccc4)CC3)cc2)cc1OC 1084064637 VXKXWFNJRGSLRD-UHFFFAOYSA-N 485.628 5.313 50 10 JKGE Cc1c(Br)c(C=NNC(=O)COc2ccccc2Cl)c(C)n1-c1ccccc1 1084162847 JYXGCPDWESEBBC-UHFFFAOYSA-N 460.759 5.039 50 10 JKGE O=C(CSc1nc2ccccc2[nH]1)NN=Cc1c(OCc2ccccc2)ccc2ccccc12 1084175057 MRLBWYAYLBAHSN-UHFFFAOYSA-N 466.566 5.538 50 10 JKGE Cc1ccc(OC(=O)c2oc3c(c2C)C(=NNC(=O)c2ccc4ccccc4n2)CCC3)cc1 1772751350 OYMIPJWJZSLLSB-UHFFFAOYSA-N 453.498 5.134 50 10 JKGE CCc1ccccc1OCC(=O)NN=Cc1cc(Br)ccc1OCc1ccccc1 1772753495 LPYWRKCAWNPRNV-UHFFFAOYSA-N 467.363 5.120 50 10 JKGE CCc1nn(Cc2ccc(Cl)c(Cl)c2)c2c1[C@@H](c1ccc(Cl)c(Cl)c1)C(C#N)=C(N)O2 1865686090 QQAZCCFLYNBWPG-IBGZPJMESA-N 494.209 6.326 50 10 JKGE CCCc1nn(Cc2cccc(F)c2)c2c1[C@@H](c1ccc(Cl)c(Cl)c1)C(C#N)=C(N)O2 1865686326 UUUVUUXEBBLUCY-FQEVSTJZSA-N 457.336 5.548 50 10 JKGE CCCCOc1ccc([C@H]2C(C#N)=C(N)Oc3c2c(-c2ccccc2)nn3CCC)cc1OCC 1865687670 XMVUZQNKQIPPCL-DEOSSOPVSA-N 472.589 5.756 50 10 JKGE CCCOc1c(OC)cccc1[C@H]1C(C#N)=C(N)Oc2c1c(CCC)nn2-c1ccc(Cl)cc1 1865693502 ORQFPDZBZIYLJF-QFIPXVFZSA-N 478.980 5.494 50 10 JKGE N#CC1=C(N)Oc2c(c(-c3ccccc3)nn2-c2ccc(Cl)c(Cl)c2)[C@@H]1c1ccncc1 1865700155 LYBUDKJBCVABEI-HXUWFJFHSA-N 460.324 5.459 50 10 JKGE CCc1nn(Cc2ccc(Cl)c(Cl)c2)c2c1[C@H](c1ccc(N(CC)CC)cc1)C(C#N)=C(N)O2 1865702529 WPFUIFMRWNHGJB-HSZRJFAPSA-N 496.442 5.865 50 10 JKGE N#CC1=C(N)Oc2c(c(-c3ccccc3)nn2Cc2cccc(Cl)c2)[C@H]1c1ccccc1[N+](=O)[O-] 1865710049 NINGEVSHFOLIIH-QFIPXVFZSA-N 483.915 5.378 50 10 JKGE COc1ccc(-c2nn(Cc3ccc(Cl)cc3)c3c2[C@@H](c2cccc(C)c2)C(C#N)=C(N)O3)cc1 1865711226 SSXBYJJGAFHHNR-DEOSSOPVSA-N 482.971 5.787 50 10 JKGE CCCC[C@@H](NC(=O)c1nc(C(C)(C)C)n2ccccc12)C(=O)Nc1ccc(SC#N)cc1 1866874373 AABVULRKAPBZIR-LJQANCHMSA-N 463.607 5.132 50 10 JKGE CCc1ccc([C@H]2CN(c3cc(Nc4ccc(SC#N)cc4)nc(-c4ccccc4)n3)CCO2)cc1 1868364890 GZOLCZAFXFFBHV-AREMUKBSSA-N 493.636 6.601 50 10 JKGE C[C@H]1CN(c2cc(Nc3ccc(SC#N)cc3)nc(-c3cccnc3)n2)C[C@@H](c2ccc(F)cc2)O1 1868565063 GXDKMUIGAMXPAQ-UUOWRZLLSA-N 498.587 5.961 50 10 JKGE N#C/C(=C(/O)CCCOc1ccc(Cl)cc1)c1nc(-c2ccc(Cl)cc2Cl)cs1 1872744901 NVIJASHEOZINSY-JZJYNLBNSA-N 465.789 7.422 50 10 JKGE CC(C)c1ccc(O[C@H](C)/C(O)=C(\C#N)c2nc(-c3ccc(Br)cc3)cs2)cc1 1872746477 JTYRDTLFXLSEOX-BQHWHHKNSA-N 469.404 6.956 50 10 JKGE COc1ccc(Cl)cc1/C(O)=C(\C#N)c1nc(-c2ccc(Oc3ccccc3)cc2)cs1 1872753516 AMYVYFZKQCDAFL-FLFQWRMESA-N 460.942 7.214 50 10 JKGE CCOc1ccc(-c2csc(/C(C#N)=C(\O)c3cccc(Oc4ccccc4)c3)n2)c(OCC)c1 1872755616 WVFZXZAWVSZDCD-PNHLSOANSA-N 484.577 7.350 50 10 JKGE COc1cc(/C(O)=C(\C#N)c2nc(-c3cc(Cl)ccc3Cl)cs2)cc(OC)c1OC 1872757887 ANSWEWIEYHZJPC-RGEXLXHISA-N 463.342 6.093 50 10 JKGE COc1ccc(-c2csc(/C(C#N)=C(\O)CNS(=O)(=O)c3ccc(C)cc3)n2)c2ccccc12 1872758760 PIIYGMWXEBBSIN-LNVKXUELSA-N 491.594 5.052 50 10 JKGE N#C/C(=C\c1cc2c(cc1[N+](=O)[O-])OCCO2)c1nc(-c2ccc(Cl)c(Cl)c2)cs1 1872790323 AMPUBWWIQITGBK-WLRTZDKTSA-N 460.298 5.860 50 10 JKGE Cc1csc([C@@H](Br)c2cc(Br)ccc2OCc2ccccc2)c1 1899857233 AIAQXWWHWJRMAS-IBGZPJMESA-N 452.211 6.882 50 10 JKGE Clc1ccsc1[C@@H](Br)c1ccc(OCc2ccccc2)cc1Br 1899882799 LPWPZPHZBOGMEV-KRWDZBQOSA-N 472.629 7.227 50 10 JKGE ClCC[C@@H](COCc1ccccc1)NCc1ccc(Cl)c(I)c1 1902900282 CQXSZENIMZHRBQ-INIZCTEOSA-N 464.174 5.249 50 10 JKGE C[C@@]1(Cc2ccc(I)c(Br)c2)CC[C@@H](Br)C1 1904320829 CUYTYYDERDLEIG-MFKMUULPSA-N 457.975 5.550 50 10 JKGE CN(Cc1ccccc1)C1(Cn2c(CCl)nc3c(Br)cc(F)cc32)CCC1 1912677773 SBMAUAMZBHRHKU-UHFFFAOYSA-N 450.783 5.731 50 10 JKGE COCc1cc(Br)c([C@@H](Br)c2c(C)nsc2Br)s1 1912934255 WJYOAODIPNUTJG-VIFPVBQESA-N 476.053 5.669 50 10 JKGE C[C@H](CBr)N(Cc1ccccc1)C(=O)c1cc(Cl)ccc1I 1914228601 NXBVNWABJSJDAX-GFCCVEGCSA-N 492.582 5.370 50 10 JKGE CC[C@@H](Br)CN(Cc1ccccc1)C(=O)c1cc(Cl)ccc1Br 1915075217 BOLHLJXWSIZOAN-CQSZACIVSA-N 459.609 5.918 50 10 JKGE C[C@@H](C1CCC1)[C@H](Br)c1c(Br)sc(Br)c1Cl 1923038712 KDEFXLAKRWPPHU-XNCJUZBTSA-N 451.449 6.799 50 10 JKGE COCC1([C@H](Cl)c2c(Br)sc(Br)c2Br)CCCCC1 1924570746 MLCIBMXNOTYNRI-SNVBAGLBSA-N 495.502 6.912 50 10 JKGE Cl[C@H](c1csnc1Br)c1sc(Br)cc1Br 1925270645 NGEAXJNYEATZNY-ZCFIWIBFSA-N 452.418 5.820 50 10 JKGE CCCc1ccc([C@H](Br)c2scc(Br)c2Br)s1 1940264619 JVOCJPIGHJACGW-NSHDSACASA-N 459.066 6.771 50 10 JKGE CCc1sc(Br)cc1[C@@H](Br)c1scc(C)c1Br 1950882008 NVHUWHLSQUHEET-LLVKDONJSA-N 459.066 6.690 50 10 JKGE CC(C)[C@@H](CCl)N(Cc1ccccc1)C(=O)c1cc(I)ccc1F 2003649325 IVZYDRZOHIIRHX-GOSISDBHSA-N 459.730 5.336 50 10 JKGE COc1sc([C@@H](Br)c2ccc(F)cc2Br)cc1Br 2034629284 MCBKZNUABPHDCU-NSHDSACASA-N 458.972 5.905 50 10 JKGE C[C@H](Cl)c1nc2cc(I)ccc2n1[C@@H]1CC[C@@H]1OCc1ccccc1 2038729444 OXNIMXWMWRVROH-BKTGTZMESA-N 466.750 5.861 50 10 JKGE Fc1c(Cl)cccc1C[C@H](Br)c1sc(Br)cc1Br 2050553368 OXIRSRRXKABSBQ-ZETCQYMHSA-N 477.418 6.744 50 10 JKGE O=C(NN=CC=Cc1ccccc1[N+](=O)[O-])c1cc(-c2ccc(Cl)cc2)nc2ccccc12 2053525534 FYPHUNNCOXRBIR-UHFFFAOYSA-N 456.889 5.892 50 10 JKGE N#CC(=Cc1ccc(OCc2ccccc2F)cc1)C(=O)Nc1ccccc1I 2053623221 MJXKJMXTQJPNPK-UHFFFAOYSA-N 498.295 5.555 50 10 JKGE C[C@H](CCCCCI)NC(=O)c1cc(Br)c(Cl)s1 2054154265 JBSPGSZRSOEAEG-MRVPVSSYSA-N 464.594 5.278 50 10 JKGE CC(C)(C)OC(=O)N1CC[C@]2(CC[C@](C)(CI)O2)CC12CCCCC2 2074144079 GTCLLAVNKSKDNB-UYAOXDASSA-N 463.400 5.463 50 10 JKGE O=C(O)/C=C/c1cccc(N/C=C/[P+](c2ccccc2)(c2ccccc2)c2ccccc2)c1 2078972787 UYPRPJJBJSZMPR-DKHHWMATSA-O 450.498 5.662 50 10 JKGE COc1ccc(C(F)(F)F)cc1-n1nc(CCl)c(I)c1C(F)(F)F 2079207176 CNUVNEOGCJRIHM-UHFFFAOYSA-N 484.565 5.262 50 10 JKGE Brc1ccc([C@@H](Br)c2ncn3ccsc23)c(Br)c1 2083982342 MDHKGPPFPGMPJV-SNVBAGLBSA-N 450.981 5.405 50 10 JKGE Fc1cccc([C@@H](Br)c2ccc(CC3CC3)s2)c1I 2087646533 XZMQTQFIJCJCLO-CQSZACIVSA-N 451.142 5.929 50 10 JKGE Cc1c(Br)sc([C@@H](Br)C23CC(C)(C2)OC3(C)C)c1Br 2121887052 XXDTWZKXFQGACK-GWMXKSKGSA-N 473.068 6.365 50 10 JKGE CC(C)(C)OC(=O)NCCSSCCNc1ncc(Br)cc1C(F)(F)F 2125301182 BCRVGHXADWRLQQ-UHFFFAOYSA-N 476.384 5.181 50 10 JKGE Cc1cc(Br)c(C)c([C@@H](Br)[C@H]2CCCC2(C)C)c1Br 2136381107 YDTHOZSEVJNCJN-ABAIWWIYSA-N 453.056 7.091 50 10 JKGE Cc1csc([C@@H](Br)c2c(Br)cc(F)c(Cl)c2F)c1Br 2136964446 PHIOILSLONAMAK-VIFPVBQESA-N 495.408 6.997 50 10 JKGE Cc1c(Br)ccc([C@H](Br)C23COC(CF)(C2)C3)c1Br 2138848374 FYXZMPCUOCMMRG-HSBZDZAISA-N 456.975 5.475 50 10 JKGE Brc1ccc([C@H](Br)c2cccc3ccsc23)c(Br)c1 2138854080 RZWOLGZLHWKKRV-AWEZNQCLSA-N 461.016 6.911 50 10 JKGE COC[C@]12C[C@]([C@@H](Br)c3c(Br)sc(Br)c3Cl)(CO1)C2 2141163511 IOXPUNSMBKDJKB-UWJYBYFXSA-N 495.458 5.558 50 10 JKGE CC[C@@](C)(Cn1c(CCl)nc2ccc(F)c(Br)c21)N(C)Cc1ccccc1 2155093394 KWSKATAXPIAABE-NRFANRHFSA-N 452.799 5.977 50 10 JKGE C[C@H](Cl)c1nc2cc(I)c(F)cc2n1[C@]12C[C@H]1CN(Cc1ccccc1)C2 2155865703 TWRGABPLBFCUMP-YHQOMNDMSA-N 495.767 5.311 50 10 JKGE C[C@H]1CCO[C@H]1CCC(CBr)(CBr)c1cccc(Br)c1 2157325657 GMTHHXNCNSDAOK-WFASDCNBSA-N 469.055 5.682 50 10 JKGE Clc1sc([C@H](Br)c2ccc(Cl)c3ccccc23)cc1Br 2172568709 FMUNJIHITZUOBX-CQSZACIVSA-N 451.010 7.455 50 10 JKGE Cc1cc(Br)c(CBr)c(Oc2ccc(Br)c(F)c2F)c1 2173450829 ONWJHTKTCJWAPR-UHFFFAOYSA-N 470.933 6.485 50 10 JKGE Clc1ccc(C[C@@H](CBr)Cc2cc(Br)ccc2Br)cc1 2175147758 RKIWGKFSKJQXAH-GFCCVEGCSA-N 481.453 6.661 50 10 JKGE Cc1nn(C)c(C)c1COc1c(Br)cc(Br)cc1CBr 2187821608 JUQMOCUWOQIVLH-UHFFFAOYSA-N 466.999 5.036 50 10 JKGE ClC[C@@]12CCCC[C@@H]1N(c1ncc(I)cc1Br)CCC2 2189902774 ZMVPRXMUPAUUBO-ZFWWWQNUSA-N 469.592 5.217 50 10 JKGE CCC(F)(F)C(C)(C)[C@H](Br)c1c(C)c(Br)cc(C)c1Br 2201061499 FSUOAFXBAKJTQN-CYBMUJFWSA-N 477.025 7.336 50 10 JKGE Brc1ccc(Br)c([C@@H](Br)c2ccc(-c3cccs3)s2)c1 2205859926 MIVKIGXPGJQFEY-OAHLLOKOSA-N 493.083 7.486 50 10 JKGE C[C@H](Br)CN(Cc1ccccc1)Cc1c(Br)sc2ccccc12 2210217633 XZUSXAWJQLNWIS-AWEZNQCLSA-N 453.243 6.449 50 10 JKGE C[C@@H](Br)CN(Cc1ccccc1)C(=O)Cc1ccc(Br)cc1Cl 2211872843 VUYYVXHJYMXJNL-CYBMUJFWSA-N 459.609 5.457 50 10 JKGE Cn1nc([C@H](Br)Cc2ccc(Br)cc2Cl)cc1Br 2221704936 VYQPTMKDMBQZIO-SECBINFHSA-N 457.391 5.277 50 10 JKGE C[C@@H](C[C@H](Br)c1c(Br)cc(Cl)c(Cl)c1Cl)CC(C)(C)C 2232515111 YYAIYLJETLAPCQ-IUCAKERBSA-N 465.484 8.308 50 10 JKGE C[C@@H]1CCN(Cc2ccccc2)C[C@H]1n1c(CCl)nc2c(F)cc(Br)cc21 2232916637 SQHWVUCCEXRUNU-AUUYWEPGSA-N 450.783 5.760 50 10 JKGE Fc1cc(Br)cc2c1nc(CCl)n2[C@@H]1CCCCN(Cc2ccccc2)C1 2232925150 ZJAATYMSGDFOQD-QGZVFWFLSA-N 450.783 5.904 50 10 JKGE Cc1cc(Br)c([C@H](Br)C2(CC3CC3)CCC2)c(C)c1Br 2235607707 GZDVCNFEXOYDMS-INIZCTEOSA-N 465.067 7.235 50 10 JKGE C[C@H](CCBr)N(Cc1ccccc1)C(=O)c1cccc(Cl)c1Br 2243506441 SVHRTNGNCAWMMQ-CYBMUJFWSA-N 459.609 5.918 50 10 JKGE Cc1cc(Br)c([C@@H](Br)c2cccc(Cl)c2Br)s1 2248096183 LVLUNPXBIKXYOU-NSHDSACASA-N 459.428 6.719 50 10 JKGE C[C@](CBr)(O[C@@H]1CCN(Cc2ccccc2)C1)c1ccccc1Br 2250365273 HCBRSOXAIXGMBB-YLJYHZDGSA-N 453.218 5.350 50 10 JKGE COc1ccc([C@@H](Br)c2cc(Br)oc2C)cc1I 2257367419 LUSWLVXBACXZEA-CYBMUJFWSA-N 485.941 5.448 50 10 JKGE COc1cc(OC)c([C@H](Br)c2ncsc2Br)cc1Br 2278034598 DYSNIYPJHIXSJD-JTQLQIEISA-N 471.996 5.170 50 10 JKGE COc1cc(Cl)c(Cl)cc1[C@H](Cl)c1cccc(Br)c1Br 2279060591 WCIJLELUEAQWHD-CQSZACIVSA-N 459.392 6.855 50 10 JKGE COc1c(C)cc(Br)cc1[C@H](Cl)c1c(F)cccc1I 2282888999 RHICNWSYOLBIGO-AWEZNQCLSA-N 469.519 5.838 50 10 JKGE COc1ccc([C@@H](Br)c2cc(C)ccc2Br)c(Br)c1Cl 2283559986 CIAAAHDCVHKZLQ-CYBMUJFWSA-N 483.425 6.666 50 10 JKGE Fc1cc(Br)c(F)c(Br)c1[C@@H](Br)[C@@H]1COC2(CCC2)C1 2288352797 HRJMYAWCTOGGGF-CPCISQLKSA-N 474.965 5.885 50 10 JKGE CC(C)CC1([C@@H](Br)Cc2cc(Br)cc(Br)c2)CCCC1 2295337686 NFWMRTUHNKUMGT-INIZCTEOSA-N 467.083 7.124 50 10 JKGE Cl[C@H](Cc1cc(Br)cc(Br)c1)c1cc2c(s1)CCSC2 2295343580 XZFUXHJWQXORQV-CYBMUJFWSA-N 452.664 6.585 50 10 JKGE COc1cc(OC)c([C@@H](Br)c2cc(Cl)sc2Cl)cc1Br 2295437462 NKDKHKUVOWUAOC-GFCCVEGCSA-N 461.002 6.319 50 10 JKGE CCn1c2ccccc2c2cc(NC=C(C#N)c3nc(-c4cc5ccccc5oc4=O)cs3)ccc21 2295956301 YYOYQBCOHLFROL-UHFFFAOYSA-N 488.572 7.021 50 10 JKGE Cc1ccc(C[C@@H]2SC(=C(C#N)C(=O)Nc3ccc(F)cc3)N(c3ccccc3)C2=O)cc1Cl 2296506700 ASJRBZPJEQIGSK-QHCPKHFHSA-N 491.975 5.853 50 10 JKGE Cc1ccc(C[C@H]2SC(=C(C#N)C(=O)Nc3ccc(F)cc3)N(c3ccc(Cl)cc3)C2=O)cc1 2296643190 SEVUFBHNSMBOIG-HSZRJFAPSA-N 491.975 5.853 50 10 JKGE N#CC(=Cc1c(Oc2ccc(Cl)cc2)nc2ccccn2c1=O)C(=O)Nc1ccccc1Cl 2296720251 FKIDGWFCINZKPH-UHFFFAOYSA-N 477.307 5.339 50 10 JKGE N#CC(=Cc1ccc(-c2ccc(Cl)cc2)o1)C(=O)Nc1ncc(Cc2ccc(Cl)cc2)s1 2296818927 BOHJMKVXPCXJFS-UHFFFAOYSA-N 480.376 6.846 50 10 JKGE COc1cc(C=C(C#N)c2nc(-c3ccco3)cs2)ccc1OCC(=O)Nc1ccccc1 2297480164 YMLZHHBIPXVHKX-UHFFFAOYSA-N 457.511 5.493 50 10 JKGE Brc1cc(OCc2ccccc2)ccc1[C@@H](Br)[C@@H]1[C@H]2CCCO[C@H]21 2299493173 FYAFMWGLUOVBOT-GSEOLPGOSA-N 452.186 5.889 50 10 JKGE FC(F)[C@H]1CCc2c(Br)cc(OCc3ccccc3)cc2[C@H](Br)C1 2299526519 YMAAJIUREWMXEN-SUMWQHHRSA-N 460.156 6.682 50 10 JKGE Cc1ccc(C)c(NC(=O)C(C#N)=Cc2ccccc2OCc2ccc(Cl)cc2Cl)c1 2313560871 JQQJOZBMBGZSJX-UHFFFAOYSA-N 451.353 6.735 50 10 JKGE C=CCc1cc(C=C(C#N)C(=O)Nc2ccc(C)cc2)cc(OCC)c1OCc1ccccc1 2313568588 UYQZMZZCZWADTJ-UHFFFAOYSA-N 452.554 6.247 50 10 JKGE CC1(C)CCC[C@H]([C@H](Br)c2cc(Br)ccc2OCc2ccccc2)C1 2314440231 NRINWCPBCJEXQH-UWJYYQICSA-N 466.257 7.681 50 10 JKGE CCCCCN1C(=O)C(=Cc2ccc(OCc3ccc(Cl)cc3)c(OCC)c2)C(C)=C(C#N)C1=O 2314611548 WWHGCMJXDIIKCZ-UHFFFAOYSA-N 493.003 6.100 50 10 JKGE CCCOc1ccccc1C=C(C#N)C(=O)Nc1scc(-c2ccc(C)cc2)c1C(=O)OCC 2314716694 GSQHDGNSFORMRQ-UHFFFAOYSA-N 474.582 6.235 50 10 JKGE COc1ccc(OCCCC(=O)Oc2ccc(C=C(C#N)c3ccc(OC)cc3)cc2OC)cc1 2320506068 AYWHYMAQYLULEM-UHFFFAOYSA-N 473.525 5.541 50 10 JKGE Fc1cc([C@H](Br)c2cc(Br)sc2Br)c(Cl)cc1Cl 2326684409 BBQGFQMUYZYZFS-JTQLQIEISA-N 497.836 7.203 50 10 JKGE N#CC(=C(O)c1ccccc1C(=O)c1ccccc1)c1nc(-c2ccc3ccccc3c2)cs1 2331237894 QLWWHKZZIUJTCG-UHFFFAOYSA-N 458.542 7.144 50 10 JKGE N#CC(=C(O)Cc1ccc(Cl)c(Cl)c1)c1nc(-c2ccc(Br)cc2)cs1 2331259716 SCXUWWQSAVIXEW-UHFFFAOYSA-N 466.187 6.915 50 10 JKGE C[C@H](c1ccccc1)N1C[C@@H](C(O)=C(C#N)c2nc(-c3ccc(Br)cc3)cs2)CC1=O 2331260408 DFCCVNWHMIOIAP-QAPCUYQASA-N 494.414 5.975 50 10 JKGE N#CC(=C(O)CCCN1C(=O)c2ccc([N+](=O)[O-])cc2C1=O)c1nc(-c2c[nH]c3ccccc23)cs1 2331348964 FMVJBIZJNBZWLT-UHFFFAOYSA-N 499.508 5.069 50 10 JKGE CC(C)c1ccc(O[C@H](C)C(O)=C(C#N)c2nc(-c3ccc(Oc4ccccc4)cc3)cs2)cc1 2331359083 ZMPMLZUNBCJHHC-HXUWFJFHSA-N 482.605 7.986 50 10 JKGE COc1ccc(CC(O)=C(C#N)c2nc(-c3cc(Cl)cc(Cl)c3OC)cs2)cc1OC 2331362484 PVRYCCXNFVIUMM-UHFFFAOYSA-N 477.369 6.178 50 10 JKGE Cc1cc(C)c(C)c(-c2csc(C(C#N)=C(O)c3ccc(N4CCCC4)c([N+](=O)[O-])c3)n2)c1C 2331366401 VAXSJNIHNOZFNJ-UHFFFAOYSA-N 474.586 6.502 50 10 JKGE CCCOc1ccc(CC(O)=C(C#N)c2nc(-c3cc(C)c(Cl)cc3OC)cs2)cc1 2331389279 LIGUHMKLKZZHFQ-UHFFFAOYSA-N 454.979 6.605 50 10 JKGE COc1ccc(-c2csc(C(C#N)=C(O)C(=Cc3ccccc3)c3ccccc3)n2)cc1Cl 2331398128 KVTRJFJXIDXOPT-UHFFFAOYSA-N 470.981 7.506 50 10 JKGE Clc1cc(Cl)cc(C[C@H](Cl)c2ccc(OCc3ccccc3)cc2Br)c1 2336047648 NLNOQTJFFGOIGQ-NRFANRHFSA-N 470.621 7.858 50 10 JKGE Brc1ccc(OCc2ccccc2)c([C@H](Br)c2ccc(C3CC3)cc2)c1 2336054574 SVKPMBYOZWVHFT-HSZRJFAPSA-N 472.220 7.390 50 10 JKGE Fc1cc(F)c([C@@H](Cl)c2c(Br)sc(Br)c2Cl)cc1F 2336114203 ACOYCYUBQKFMIZ-MRVPVSSYSA-N 454.920 6.672 50 10 JKGE Cn1cnc(Br)c1[C@H](Br)c1cc(Cl)c(Cl)c(Cl)c1Cl 2337272342 HXCWPNRECZIRIK-ZCFIWIBFSA-N 467.803 6.281 50 10 JKGE CC1(C)COC[C@@H]1COc1c(Br)cc(CBr)cc1Br 2338984060 LUIWTDBRVZJEPH-SNVBAGLBSA-N 457.000 5.158 50 10 JKGE COc1cc([C@@H](Br)c2cc(Br)c(C)cc2Br)sc1Cl 2340289153 YFKDGTAPZYPXKM-LBPRGKRZSA-N 489.454 6.728 50 10 JKGE CC[C@H](Br)[C@H]1CCCCN1Cc1ccc(Cl)cc1I 2341052092 RMFFQQDEFLXBOT-DZGCQCFKSA-N 456.593 5.473 50 10 JKGE Cc1cc(Br)c(C(C)C)cc1[C@H](Br)c1cc(Br)co1 2352807178 VPJUQEPOQWBYNB-HNNXBMFYSA-N 450.996 6.721 50 10 JKGE BrC[C@H]1C[C@@H]2CCCC[C@@H]2N1Cc1c(Br)cccc1Br 2358956138 GKCYXWIWYCYECM-OZVIIMIRSA-N 466.055 5.740 50 10 JKGE C[C@]12C[C@H](C1)[C@H]([C@@H](Br)c1c(Cl)cc(Br)c(F)c1Br)CO2 2362912197 XNMPVIBRGLULKE-CYCXOIKXSA-N 491.420 6.255 50 10 JKGE COc1ccc([C@H](Cl)c2sc(Cl)cc2I)c(Cl)c1OC 2364119197 KMMIGZSYUQGRPN-NSHDSACASA-N 463.551 6.005 50 10 JKGE CC(C)[C@H](Br)C(C)(C)CN(C)Cc1ccc(Cl)c(I)c1 2365909586 YWPVVMIZJGHFPY-HNNXBMFYSA-N 472.636 5.822 50 10 JKGE Fc1c(Br)cc(Cl)c([C@H](Br)C[C@@H]2CC[C@@H]2C2CC2)c1Br 2367954287 YSMNONHUOLCLCJ-IVZWLZJFSA-N 489.448 7.266 50 10 JKGE CC[C@H](O[C@H]1CN(C(=O)OC(C)(C)C)C[C@@H]1Br)c1ccc(C(F)(F)F)cc1 2369785474 XWDKQEKIYBKGJW-JYJNAYRXSA-N 452.311 5.556 50 10 JKGE CC1(C)CC[C@@H](Cl)[C@H](CNCc2ccc(I)c(Br)c2)C1 2377338985 BDIAPBOXRZYDQA-GXTWGEPZSA-N 470.620 5.577 50 10 JKGE Cc1cc(Br)c(C(C)C)cc1[C@H](Br)c1cc(C)c(Br)s1 2380941715 JMXCOUUZMULHHP-HNNXBMFYSA-N 481.091 7.498 50 10 JKGE CCOc1ccc([C@H]2C(C#N)=C3N=C(N)c4ccccc4N3C3=C2C(=O)C[C@H](c2ccccc2)C3)cc1 3654418 XDXBGKCLMNFUQW-PIKZIKFNSA-N 486.575 5.544 50 10 JKGE O=C(c1ccc(Br)s1)N(/N=C/c1cccs1)c1nc2ccc(F)cc2s1 9148884 WEKWUYHOPXJQIN-AWQFTUOYSA-N 466.382 6.002 50 10 JKGE O=C(c1ccc([N+](=O)[O-])s1)N(/N=C/c1ccc([N+](=O)[O-])s1)c1nc2ccc(F)cc2s1 9149059 MKUCJSOPKYEXGI-UFWORHAWSA-N 477.480 5.056 50 10 JKGE N#C/C(=C/c1ccc(Cl)cc1Cl)C(=O)Nc1ncc(Cc2cc(Cl)ccc2Cl)s1 15357218 PHXCSAURRYSUTJ-ACAGNQJTSA-N 483.207 6.893 50 10 JKGE C/C(=N/NC(=O)CSc1nnc(SCc2cccc3ccccc23)s1)c1cccc(O)c1 19826321 YSRDHRIMDADZKW-IWIPYMOSSA-N 480.640 5.322 50 10 JKGE N#C/C(=C/c1cccc(Oc2ccc(C(F)(F)F)cc2[N+](=O)[O-])c1)c1nc2ccccc2[nH]1 33247216 CXKBXCNCIVQMQQ-GDNBJRDFSA-N 450.376 6.346 50 10 JKGE CCOc1ccccc1C(=O)Oc1ccc2c(c1)OC(N)=C(C#N)[C@H]2c1c(Cl)cccc1Cl 38680036 ROJWABRYDWLBSJ-QFIPXVFZSA-N 481.335 5.829 50 10 JKGE Cc1ccc(C)c(NC(=O)/C(C#N)=C\c2c(Oc3ccc(Cl)cc3)nc3ccccn3c2=O)c1 39858593 CMDHLVWZOUYTMR-JXAWBTAJSA-N 470.916 5.303 50 10 JKGE Cc1cccn2c(=O)c(/C=C(/C#N)C(=O)Nc3ccccc3Cl)c(Oc3ccc(Cl)cc3)nc12 39858608 FPGTUHXILFJPLG-SSZFMOIBSA-N 491.334 5.648 50 10 JKGE Cc1occc1C(=O)N/N=C1\CCCc2oc(C(=O)Oc3ccc(-c4ccc(C#N)cc4)cc3)c(C)c21 40823554 YGAHFBPVHPBSJT-QFMPWRQOSA-N 493.519 5.718 50 10 JKGE CCOC(=O)/C(C#N)=C/c1ccc(OC(=O)CCCOc2ccc(C(C)C)c(C)c2)c(OC)c1 54624880 VOLHMTJYNXHWAF-RCCKNPSSSA-N 465.546 5.362 50 10 JKGE CCCc1cc(C(=O)OC)c(NC(=O)/C(C#N)=C/c2ccc(COc3ccc(OC)cc3)o2)s1 58978652 LVGPUGYQCUBQQG-FOWTUZBSSA-N 480.542 5.213 50 10 JKGE Cc1c(Cl)cccc1N/C(SCc1ccc(F)cc1)=C(\C#N)S(=O)(=O)c1ccccc1 96482156 PFQNNVLJOGHPFS-FCQUAONHSA-N 472.994 6.299 50 10 JKGE Cc1ccc(N/C(SCc2ccc(Cl)cc2)=C(\C#N)C(=O)NCc2ccco2)cc1C 105422746 OGMQIKWQCNCIGW-GYHWCHFESA-N 451.979 5.947 50 10 JKGE COc1ccc(OC)c([C@H](Br)c2cc(Br)ccc2Br)c1 109844303 BADDIRSAUYTCKI-OAHLLOKOSA-N 464.979 5.713 50 10 JKGE Fc1ccc([C@@H](Br)c2cc(Br)ccc2Br)cc1C(F)(F)F 109844310 CUJRLDXTKYIICQ-CYBMUJFWSA-N 490.914 6.854 50 10 JKGE Brc1ccc([C@H](Br)c2cc3c(cc2Br)OCCCO3)o1 109865078 WPAXCLCLFXBVLU-CQSZACIVSA-N 466.951 5.450 50 10 JKGE Brc1ccc([C@@H](Br)c2cc3c(cc2Br)OCCO3)o1 109865454 ZWUBXIHOHVKYAU-ZDUSSCGKSA-N 452.924 5.060 50 10 JKGE FC(F)(F)c1ccc(Br)c([C@H](Br)c2cc(Cl)sc2Cl)c1 159841487 BFTHLVYMPRTQFL-JTQLQIEISA-N 468.947 7.321 50 10 JKGE CCOc1cc(/C=N\NC(=O)c2ccc(O)cc2)ccc1OCc1c(Cl)cccc1Cl 169886402 SJJREQLXXMQZPJ-ZMFRSBBQSA-N 459.329 5.441 50 10 JKGE CCOC(=O)c1ccc(-c2ccc(/C=C3\C(=O)N([C@@H](C)c4ccccc4)C(=O)C(C#N)=C3C)o2)cc1 214341369 STNKUNRNBCPLCJ-UZXDDYOISA-N 480.520 5.477 50 10 JKGE O=[N+]([O-])c1cccc(Br)c1Oc1cc(Br)ccc1CBr 218347935 JUJDNWWCDXKMMM-UHFFFAOYSA-N 465.923 5.807 50 10 JKGE Cc1cccc(C)c1COc1c(Br)cc(CBr)cc1Br 235818015 YVLPVAWYMLMLIL-UHFFFAOYSA-N 463.007 6.302 50 10 JKGE Cc1ccc([C@@H](Br)c2cc(Br)c(Br)s2)c(Cl)c1 235920800 RZKWNELUMVSFDD-LLVKDONJSA-N 459.428 6.719 50 10 JKGE Clc1ccc(I)c([C@@H](Cl)c2cc(Br)c(Cl)s2)c1 236030238 MIUASRPIHHXDDX-SNVBAGLBSA-N 482.395 6.750 50 10 JKGE Cc1cc(C)c2c(N)c(C(=O)NN=Cc3cn(-c4ccccc4)nc3-c3cccs3)sc2n1 254385104 GGPUFADYVQHOCN-UHFFFAOYSA-N 472.599 5.173 50 10 JKGE CCCCOc1ccc(Br)cc1C=NNC(=O)c1cc(Br)ccc1OC 254439541 SAJNJPCKRQVAPT-UHFFFAOYSA-N 484.188 5.163 50 10 JKGE CCOc1cccc(-c2cc(C(=O)NN=Cc3cc(C(C)(C)C)c(O)c(C(C)(C)C)c3)[nH]n2)c1 254742802 VDTIYZKZAYZMGH-UHFFFAOYSA-N 462.594 5.540 50 10 JKGE C[C@H]1C[C@@H](n2c(CCl)nc3cc(I)ccc32)CN1Cc1ccccc1 398010533 BLHZJEJIOCWESA-WMLDXEAASA-N 465.766 5.215 50 10 JKGE Cc1cccc(C[C@H](CBr)Cc2cc(Cl)ccc2I)c1 405537440 PNNROPQYYBZDOZ-AWEZNQCLSA-N 463.584 6.049 50 10 JKGE ClC[C@@H](Cc1ccccc1Br)Cc1cc(Cl)ccc1I 405547066 XAXYTTCMSMXFSQ-NSHDSACASA-N 484.002 6.347 50 10 JKGE C=C(C)[C@@H]1CC[C@]2(N=C=O)CC[C@]3(C)[C@H](CC[C@@H]4[C@]5(C)CCC(=O)C(C)(C)[C@@H]5CC[C@@]43C)[C@H]12 504359161 VQWHXXYGQNAQAN-NZZIRFISSA-N 451.695 7.301 50 10 JKGE biogenic CC(C)(C)[Si](C)(C)OCc1cccc([C@@H]2CCCN(S(=O)(=O)c3ccccc3)CC2)c1 616628936 NYKRAORSHNSTFN-JOCHJYFZSA-N 459.728 6.167 50 10 JKGE CC(C)(CC(F)F)CC(CBr)(CBr)c1cccc(Br)c1 693969025 BCNPJLUYVGRAGI-UHFFFAOYSA-N 477.025 6.548 50 10 JKGE Fc1ccc(C(CBr)(CBr)Cc2ccncc2Br)cc1 702864963 RLIXJKNYDQBUIA-UHFFFAOYSA-N 465.986 5.254 50 10 JKGE CC(C)(C)C[C@H](Br)CNC(=O)c1scc(Br)c1Br 705411411 XNMXDCGMTHRKEE-ZETCQYMHSA-N 462.045 5.203 50 10 JKGE C[C@H]1CCN(Cc2ccccc2)C[C@@H]1n1c(CCl)nc2cc(Br)c(F)cc21 716304430 ZFZCKAQJLVJMML-XOBRGWDASA-N 450.783 5.760 50 10 JKGE Cc1ccc(C(=O)Nc2ccc(C(=O)NN=Cc3c4ccccc4cc4ccccc34)cc2)cc1 1084280881 HWRHGYXNNWQEJL-UHFFFAOYSA-N 457.533 6.318 50 10 JKGE Cc1c(C(=O)Oc2cccc3ccccc23)oc2c1C(=NNC(=O)c1ccc(Cl)cc1)CCC2 1772743534 FCSWIEODKNPZLX-UHFFFAOYSA-N 472.928 6.084 50 10 JKGE Cc1c(Cl)cccc1NC(=O)c1oc2c(c1C)C(=NNC(=O)COc1ccccc1)CCC2 1772750142 VNPPHTMXQFCOAE-UHFFFAOYSA-N 465.937 5.038 50 10 JKGE CCCc1nn(-c2cccc(Cl)c2)c2c1[C@H](c1ccc(N(CC)CC)cc1)C(C#N)=C(N)O2 1865702008 KOHXYVDRBWNMLL-HSZRJFAPSA-N 461.997 5.543 50 10 JKGE Cc1nn(Cc2ccccc2Cl)c2c1[C@@H](c1cc(Br)ccc1F)C(C#N)=C(N)O2 1865702668 YSIFBCGANNNHRR-IBGZPJMESA-N 473.733 5.013 50 10 JKGE Cc1nn(Cc2ccccc2)c2c1[C@@H](NC(=O)/C(C#N)=C/c1ccc(Br)cc1)CCC2 1866128793 MKDJOSXYAVWMNZ-FGGAIWKESA-N 475.390 5.103 50 10 JKGE CCCC[C@@H](NC(=O)C[C@@H](c1ccc(C(C)C)cc1)C(C)C)C(=O)Nc1ccc(SC#N)cc1 1866738121 DETYIHXWXDWHLC-CLJLJLNGSA-N 479.690 6.827 50 10 JKGE CCOc1cccc2cc(-c3cc(=O)oc4cc(OCc5cccc(CCl)c5)ccc34)c(=O)oc12 1871437306 QVXPRXRJPFZFEV-UHFFFAOYSA-N 488.923 6.283 50 10 JKGE Cc1ccc(C)c(-c2csc(/C(C#N)=C(\O)c3ccc4c(c3)C(=O)N(CC(C)C)C4=O)n2)c1 1872749704 DEQDKSGPQNNGES-LNVKXUELSA-N 457.555 5.629 50 10 JKGE CCc1ccc(OCCC/C(O)=C(\C#N)c2nc(-c3cccs3)cs2)c(Br)c1 1872750907 TWEYVWRSTIGUIC-SDXDJHTJSA-N 475.433 6.848 50 10 JKGE CCCCCCCOc1ccc(-c2csc(/C(C#N)=C(\O)c3cc(Cl)ccc3OC)n2)cc1 1872753163 KAMVYEGPPJSKTH-LVWGJNHUSA-N 483.033 7.771 50 10 JKGE COc1cc(-c2csc(/C(C#N)=C(\O)Cc3cccc4ccccc34)n2)c(OC)cc1Cl 1872754816 KEZXWQYGHOMQNC-QOCHGBHMSA-N 462.958 6.669 50 10 JKGE CCOc1ccc(-c2csc(/C(C#N)=C(\O)c3c(Cl)ccc(Cl)c3Cl)n2)c(OCC)c1 1872755173 BLHHHOIYVOGVQT-STZFKDTASA-N 495.815 7.518 50 10 JKGE Cc1cc(C)c(-c2csc(/C(C#N)=C(\O)CN3C(=O)COc4ccc(Cl)cc43)n2)c(C)c1 1872755909 LMKFJLUEQQSWNP-JZJYNLBNSA-N 465.962 5.607 50 10 JKGE CCCCCCCOc1ccc(-c2csc(/C(C#N)=C/c3ccccc3OCCC)n2)cc1 1872791200 BCPJOKINXFKFRR-LYBHJNIJSA-N 460.643 8.012 50 10 JKGE CCCCc1ccc(N2C[C@H](/C(O)=C(\C#N)c3nc(-c4cc(C)ccc4OC)cs3)CC2=O)cc1 1873920922 MRHWDPMGTDMDRW-SDZWUPGVSA-N 487.625 6.316 50 10 JKGE CC[C@@H](C)[C@@H](/C(O)=C(\C#N)c1nc(-c2cccc([N+](=O)[O-])c2)cs1)N1C(=O)c2ccccc2C1=O 1873940731 FAGARHMUTLNAEL-UDGWVDNDSA-N 488.525 5.222 50 10 JKGE Cc1ccccc1OCCC/C(O)=C(\C#N)c1nc(-c2ccc(-c3ccccc3)cc2)cs1 1873941032 SSSPJRDMNYPXNI-LCUIJRPUSA-N 452.579 7.437 50 10 JKGE O=C(N[C@@H](CBr)[C@H]1CC=CCC1)c1scc(Br)c1Br 1885116486 WTRCHHMDJXZPFE-WPRPVWTQSA-N 472.040 5.123 50 10 JKGE Cc1cc(Br)c([C@H](Br)[C@@]23CC[C@@H](C2)[C@H](C)O3)cc1Br 1908098217 XEIGCPLABGHVHV-FCIDVOKBSA-N 453.012 5.914 50 10 JKGE Cc1nsc(Br)c1[C@H](Br)c1ccc(F)c(Br)c1F 1912931036 GQIGJAYBHRBKAF-MRVPVSSYSA-N 461.951 5.739 50 10 JKGE O=S(=O)(c1ccc(CCl)c(Br)c1)N(Cc1ccccc1)Cc1cccs1 1914879694 MENWBFCPKMSBNL-UHFFFAOYSA-N 470.841 5.641 50 10 JKGE Cc1c(Br)sc([C@H](Cl)c2ncsc2Br)c1Br 1922883263 JIZBYONICVAEID-RXMQYKEDSA-N 466.445 6.129 50 10 JKGE Brc1cc(Br)c([C@@H](Br)c2ccc3c(c2)CCCC3)s1 1922907374 SWJILHRZRRRARY-AWEZNQCLSA-N 465.048 6.636 50 10 JKGE FC1(F)CCCC[C@H]1[C@H](Br)c1sc(Br)cc1Br 1922936530 VWZXZJJCIKODNJ-RCOVLWMOSA-N 452.984 6.535 50 10 JKGE O=[N+]([O-])c1ccc([C@H](Br)c2c(Br)sc(Br)c2Cl)o1 1923038213 HZGSQVNKHTWRQQ-LURJTMIESA-N 480.359 5.912 50 10 JKGE COCC1([C@H](Br)c2c(Br)sc(Br)c2Cl)CCCC1 1923070532 BVKLYGOHDGQTAR-SECBINFHSA-N 481.475 6.569 50 10 JKGE CCCC1CC([C@@H](Br)c2c(Br)sc(Br)c2Cl)C1 1923075301 ZQQFEHBMOBNDSW-QXUHLLMWSA-N 465.476 7.189 50 10 JKGE Cc1cc([C@H](Cl)c2c(Br)sc(Br)c2Br)sc1C 1924583756 OPMZAFVSHFSSHI-VIFPVBQESA-N 479.484 7.042 50 10 JKGE CC[C@@H]1C[C@H]1[C@H](Br)c1c(Br)sc(Br)c1Br 1924605158 NHDRXWPFGLFPAP-XAHCXIQSSA-N 481.873 6.518 50 10 JKGE COc1cccc([C@@H](Cl)c2c(Br)sc(Br)c2Br)c1F 1924605317 PHBFSERAKODYHI-SECBINFHSA-N 493.417 6.512 50 10 JKGE C[C@@H]1COc2ccc([C@H](Br)c3cccc(Br)c3Br)cc21 1925683014 AYSRIVQYAIIDOQ-PSLIRLAXSA-N 460.991 6.192 50 10 JKGE Brc1ccc(C[C@@H](Br)c2cscc2OCc2ccccc2)cc1 1939522611 USUXZXYBEHKJIT-GOSISDBHSA-N 452.211 6.768 50 10 JKGE CCN(CC)CCN(Cc1ccccc1)c1cc(Br)ccc1CBr 1946813757 WNCQAZKYZWSRBJ-UHFFFAOYSA-N 454.250 5.692 50 10 JKGE CCCc1ccccc1[C@H](Br)c1cc(Br)c(Br)s1 2027899608 OXRMGUKYBXIIQJ-ZDUSSCGKSA-N 453.037 6.710 50 10 JKGE Clc1cccc(C[C@@H](Br)c2cccc(Br)c2Br)c1 2031483015 ZDNHXJHVSJLRAY-CYBMUJFWSA-N 453.399 6.544 50 10 JKGE Fc1cc(Cl)c(Br)cc1[C@@H](Br)c1cccc(Br)c1 2036571888 MNYPSZRSSZCOQN-ZDUSSCGKSA-N 457.362 6.488 50 10 JKGE CN(Cc1ccccc1)[C@@H]1CCCCN(c2cc(Br)ccc2CBr)C1 2050045418 AGSSQGCCRRTZDR-HXUWFJFHSA-N 466.261 5.835 50 10 JKGE COc1cc([C@H](Br)c2cc(C)c(Br)s2)ccc1Br 2072060865 JABSKZZVWMWETK-LBPRGKRZSA-N 455.009 6.074 50 10 JKGE COc1cc(C)c([C@@H](Br)c2ccc(Br)s2)cc1Br 2078003574 NYCWGOXWVLGDKA-CYBMUJFWSA-N 455.009 6.074 50 10 JKGE COc1cc(Cl)c([C@@H](Br)c2ncsc2Br)cc1Br 2082381420 DTJDBUNHMPKTTK-SECBINFHSA-N 476.415 5.814 50 10 JKGE Cc1nc(C[C@H](Br)c2cccc(Br)c2Br)sc1C 2085800406 NRTBSQMSAIONRM-NSHDSACASA-N 454.025 5.964 50 10 JKGE BrC[C@@H]1CC12CCN(Cc1ccc(Br)cc1Br)CC2 2092492087 XCOWRGRIRXFWBA-LBPRGKRZSA-N 452.028 5.209 50 10 JKGE O=C1Cc2cc([C@@H](Br)c3cscc3OCc3ccccc3)c(Br)cc2N1 2100090665 AVINWDGMQVCYIE-HXUWFJFHSA-N 493.220 6.069 50 10 JKGE COc1ccc([C@@H](Br)c2nn(C)c(Cl)c2Br)cc1Br 2110726936 GTYXXGNHRGLJSU-SECBINFHSA-N 473.390 5.091 50 10 JKGE C[C@@H](Cl)c1nc2cc(I)c(F)cc2n1CC1(Br)CC1 2111895591 FAUNRWILMBQFCJ-SSDOTTSWSA-N 457.512 5.007 50 10 JKGE CC(C)[C@@H](Br)c1cn(-c2ccc(Cl)c(I)c2Cl)nn1 2121071331 XYKGXIUZYICZCL-SNVBAGLBSA-N 474.955 5.271 50 10 JKGE CO[C@@H]1CC[C@H]1CCOc1c(Br)cc(CBr)cc1Br 2130344045 FFAVCJIYNKTOKK-GXFFZTMASA-N 457.000 5.300 50 10 JKGE Clc1cc(C[C@@H]2CCCCCCC[C@@H]2Br)ccc1I 2142952709 JYZBSIFZKWRHIF-KBPBESRZSA-N 455.605 6.611 50 10 JKGE BrCC(CBr)(CCS[C@@H]1CCOC1)c1ccccc1Br 2149123452 NTIWMNFCDPHHGW-GFCCVEGCSA-N 487.095 5.389 50 10 JKGE CC1(C)C[C@H](n2c(CCl)nc3cc(Br)c(Cl)cc32)CN1Cc1ccccc1 2159873522 HVYLTZOYGOSDOQ-HNNXBMFYSA-N 467.238 6.417 50 10 JKGE C[C@@]1([C@H](Br)c2cc(I)cc3c2OCC3)CCCC1(F)F 2167955885 BLLZHGVWXHSVQT-KGLIPLIRSA-N 457.096 5.488 50 10 JKGE F[C@H](C(F)(F)F)C(F)(F)Oc1c(Br)cc(Cl)cc1CBr 2175183974 SKXMENAZXNGDOL-MRVPVSSYSA-N 450.398 5.869 50 10 JKGE Fc1cc(Br)c([C@@H](Br)c2cccc(Br)c2F)c(F)c1Cl 2201618843 LLOOFOPWFKFRLX-JTQLQIEISA-N 493.342 6.767 50 10 JKGE Cc1c(Br)ccc([C@@H](Br)C2CC3(CCCCC3)C2)c1Br 2203687006 VSBPMWGJMLRGKK-INIZCTEOSA-N 465.067 7.317 50 10 JKGE Cc1cc(Br)c([C@@H](Br)[C@@H]2C[C@H]3COC[C@H](C3)C2)cc1Br 2206761175 OYSOWYRWXZWZNF-LGSVPQMISA-N 467.039 6.019 50 10 JKGE C[C@@H]1CC[C@H](C(C)(C)Cc2ccc(I)c(Cl)c2)[C@H](Br)C1 2208031782 CUOQYZFOVFUEBQ-KWCYVHTRSA-N 469.632 6.713 50 10 JKGE Cc1c(Br)sc([C@H](Br)[C@]2(Cl)CC2(C)C)c1Br 2211991134 USYMFJUVVGDCLC-GZMMTYOYSA-N 451.449 6.425 50 10 JKGE CO[C@@H]1C[C@H](Br)C[C@H]1c1sc(Br)c(Br)c1Br 2212200696 PBMKDZHJYUQQEC-HSUXUTPPSA-N 497.872 5.692 50 10 JKGE CCc1ccc([C@H](Br)c2cc(Br)c(Br)cc2F)s1 2218598979 XQGREUSUQUHMPZ-CYBMUJFWSA-N 457.000 6.459 50 10 JKGE Cc1cc([C@H](Br)c2c(Br)cc(Cl)c(Cl)c2Cl)sc1C 2224303056 RMBJTHGVXIXUTA-NSHDSACASA-N 463.449 7.572 50 10 JKGE FC1(F)CC(C[C@@H](Br)c2c(Br)cc(Cl)c(Cl)c2Cl)C1 2224306530 DPKPVEFKKBCTID-ZCFIWIBFSA-N 457.367 7.281 50 10 JKGE Cc1cc(Br)c([C@H](Br)C[C@H]2CCO[C@@H]2C)c(C)c1Br 2227360154 PISFPAJFMYSQIB-NQBHXWOUSA-N 455.028 6.080 50 10 JKGE Cc1ccc(Br)c([C@@H](Br)Cc2ccc(Br)cc2Cl)c1 2229150713 KYCIDQOSPMKARQ-AWEZNQCLSA-N 467.426 6.852 50 10 JKGE COc1cc(F)c([C@@H](Br)c2sc(C)cc2Br)cc1Br 2229299828 CZAYXBQXCYAGGB-GFCCVEGCSA-N 472.999 6.214 50 10 JKGE Cc1cc(Br)c([C@@H](Br)c2scc(C(F)(F)F)c2Br)s1 2229326313 VGQQPMJOBOTQNC-MRVPVSSYSA-N 499.009 7.146 50 10 JKGE CCOCc1cc(Br)c([C@@H](Br)c2c(C)cccc2Br)s1 2233023557 RRVNOTCSWYDZBS-AWEZNQCLSA-N 483.063 6.602 50 10 JKGE CCOCc1cc(Br)c([C@H](Cl)c2ccc(I)c(C)c2)s1 2233036638 YCSIALMCWOCTKA-CQSZACIVSA-N 485.612 6.288 50 10 JKGE Fc1cc(Br)c(Br)cc1[C@H](Br)[C@@H]1CC[C@@H]2[C@@H](C1)C2(F)F 2233977050 SJRBWZBLZDVHOD-HTVVRFAVSA-N 476.956 6.468 50 10 JKGE ClCc1nc2cc(Br)c(Br)cc2n1Cc1sccc1Cl 2234055078 ABPIUKZUPFHKMV-UHFFFAOYSA-N 455.002 6.063 50 10 JKGE Cc1cc(Br)c([C@H](Cl)c2c(Cl)cccc2Cl)c(C)c1Br 2235604484 NXGVHFKXVLROOM-HNNXBMFYSA-N 457.420 7.463 50 10 JKGE Cc1cccc([C@@H](Cl)c2c(Br)cc(C)c(Br)c2C)c1Br 2235605266 QXUAAMYQXVSAML-MRXNPFEDSA-N 481.453 7.228 50 10 JKGE Cc1cc(Br)c([C@@H](Br)[C@@H]2CCCOC2(C)C)c(C)c1Br 2235608301 JBBSWHURPZADGL-NHYWBVRUSA-N 469.055 6.470 50 10 JKGE Fc1cscc1[C@H](Br)c1c(F)cc(Br)c(F)c1Br 2260068199 OLUJPEBAEVCIRS-VIFPVBQESA-N 464.926 6.175 50 10 JKGE C[C@@H]1Cc2cc([C@H](Br)c3cc(Br)co3)cc(Br)c2O1 2270463347 GNUHAAVIWLSOHC-UHLUBPPHSA-N 450.952 5.612 50 10 JKGE Brc1cc(Br)cc(C[C@H](Br)CC(C2CC2)C2CC2)c1 2277958448 FYKKQSVAHJSLDK-HNNXBMFYSA-N 451.040 6.344 50 10 JKGE COc1ccc(C[C@H](Br)c2ccc(Cl)c(I)c2)cc1F 2283629976 JOZMPZHDYHFYRP-NSHDSACASA-N 469.519 5.771 50 10 JKGE COc1ccc([C@H](Br)Cc2ccc(F)cc2F)cc1I 2284996950 DBUBCUVRJNBJAG-GFCCVEGCSA-N 453.064 5.257 50 10 JKGE Fc1cc(Br)c(F)c(Br)c1[C@@H](Br)c1cc2c(s1)CCC2 2288375455 DRGUPJJWORBWNZ-LBPRGKRZSA-N 487.001 6.524 50 10 JKGE Fc1cc(Br)c(F)c(Br)c1[C@@H](Br)[C@H]1CCCCC12CC2 2288484309 REBQYKPNSAWSBT-PELKAZGASA-N 472.993 6.896 50 10 JKGE CCn1c(C(C#N)=Cc2ccc(OCc3c(F)cccc3Cl)c(OC)c2)nc2ccccc21 2293128206 WWUKHXRNUVVBRO-UHFFFAOYSA-N 461.924 6.500 50 10 JKGE CCOc1cc(C=C(C#N)C(=O)Nc2ccc(OC)cc2)ccc1OCc1ccc(Cl)c(Cl)c1 2294168449 LJUDSSCUXQYKNJ-UHFFFAOYSA-N 497.378 6.525 50 10 JKGE Cc1cccc(NC(=O)C(C#N)=C2S[C@@H](Cc3cccc(Cl)c3)C(=O)N2c2ccccc2)c1C 2296506924 LYRKNPHBYOWECM-DEOSSOPVSA-N 488.012 6.022 50 10 JKGE FC(F)(F)COC[C@@H](Br)c1ccc(OCc2ccccc2)cc1Br 2299494518 IEDGVRGLOLHFMR-MRXNPFEDSA-N 468.107 6.043 50 10 JKGE Cc1c(Cl)sc(Cl)c1[C@@H](Br)c1ccc(I)cc1 2299542883 NNNABTFYRNCSPL-JTQLQIEISA-N 461.977 6.452 50 10 JKGE CCOc1cc(C=C(C#N)C(=O)N2CCN(c3ccccc3)CC2)ccc1OCc1cccc(C)c1 2313565303 KETYOXMOJJWNLS-UHFFFAOYSA-N 481.596 5.229 50 10 JKGE CC1(C)OCCO[C@@H]1[C@H](Br)c1cc(Br)ccc1OCc1ccccc1 2314441341 XXTDRYHKARDCAG-RTBURBONSA-N 470.201 5.658 50 10 JKGE Cc1ccc([C@@H](Cl)c2cc(Br)ccc2OCc2ccccc2)cc1Br 2314450490 ZWSLMKFZIXFBLC-OAQYLSRUSA-N 480.627 7.427 50 10 JKGE FC1(F)[C@H]([C@H](Br)c2ccc(OCc3ccccc3)cc2Br)C12CCC2 2314454868 JSYUXCYHROAKPA-QZTJIDSGSA-N 472.167 6.900 50 10 JKGE Fc1ccc([C@@H](Br)c2ccc(OCc3ccccc3)cc2Br)cc1F 2314501202 VHBOFIYOLSULDF-HXUWFJFHSA-N 468.135 6.791 50 10 JKGE CCc1ccc(C[C@H]2SC(=C(C#N)C(=O)Nc3ccccc3C)N(c3ccc(C)c(C)c3)C2=O)cc1 2314592502 VUCKOVOJBQXADW-HHHXNRCGSA-N 495.648 6.239 50 10 JKGE CC(C)c1ccc(N2C(=O)[C@H](Cc3ccccc3)SC2=C(C#N)C(=O)Nc2ccccc2)cc1 2314592784 BQUPZLVALCWBHP-VWLOTQADSA-N 467.594 5.875 50 10 JKGE CCCCCCCOc1ccc(C=C2C(=O)N(Cc3ccc(OC)cc3)C(=O)C(C#N)=C2C)cc1 2314616638 GFGLLHAAIVZUHH-UHFFFAOYSA-N 472.585 5.837 50 10 JKGE COc1cc(C=C(C#N)c2ccc(Cl)cc2)ccc1OC(=O)C=Cc1ccc(Cl)cc1Cl 2314720040 BIBYGUKVZKMIIS-UHFFFAOYSA-N 484.766 7.338 50 10 JKGE Fc1c(Br)cc(Cl)c([C@H](Br)C[C@H]2CCCO2)c1Br 2315449950 WPWOONHHUFXNCB-RNFRBKRXSA-N 465.382 6.009 50 10 JKGE CO[C@@H]1C[C@@H]([C@@H](Br)c2sc(Cl)cc2I)C12CCC2 2316598064 ZLMOUARLPFTRPL-JVUFJMBOSA-N 461.590 5.647 50 10 JKGE CCN(CC)c1ccc(NC=C(C#N)C(=O)Nc2ccccc2Sc2ccccc2)c(C)c1 2320907489 MTMQJUOILAMPNJ-UHFFFAOYSA-N 456.615 6.451 50 10 JKGE COc1ccc(Cl)cc1N1C[C@H](C(O)=C(C#N)c2nc(-c3cccc([N+](=O)[O-])c3)cs2)CC1=O 2331232914 YDUUBSLILLTKQQ-CQSZACIVSA-N 496.932 5.226 50 10 JKGE CCCCc1ccc(-c2csc(C(C#N)=C(O)[C@@H]([C@H](C)CC)N3C(=O)c4ccccc4C3=O)n2)cc1 2331256573 AQBYDDAGAZBSOR-IQGLISFBSA-N 499.636 6.656 50 10 JKGE CCCCOc1ccc(C(O)=C(C#N)c2nc(-c3ccc(Cl)cc3)cs2)cc1OCC 2331300458 HFWPQBGGCSJKMM-UHFFFAOYSA-N 454.979 6.991 50 10 JKGE N#CC(=C(O)[C@@H](Cc1ccccc1)N1C(=O)c2ccccc2C1=O)c1nc(-c2ccccc2)cs1 2331304965 YWOAAWWXXWGDDD-XMMPIXPASA-N 477.545 5.510 50 10 JKGE CCOc1ccccc1OCC(O)=C(C#N)c1nc(-c2cc(Cl)cc(C)c2OC)cs1 2331392250 JBUZQRZCRWYSGJ-UHFFFAOYSA-N 456.951 6.051 50 10 JKGE CCc1ccc(-c2csc(C(C#N)=Cc3ccc(OCCCc4ccccc4)c(OC)c3)n2)cc1 2331417714 LCRUCVPIPJHWRZ-UHFFFAOYSA-N 480.633 7.457 50 10 JKGE COc1cc(C=C(C#N)c2nc(-c3cc(C)ccc3C)cs2)ccc1OCc1ccc(C)cc1 2331445727 GRTSWNAZDPKUQR-UHFFFAOYSA-N 466.606 7.387 50 10 JKGE CCOc1cc(C=C(C#N)c2nc(-c3ccc(C(C)C)cc3)cs2)ccc1OCc1ccc(C)cc1 2331456615 KQNGEFXKFKEKEK-UHFFFAOYSA-N 494.660 8.284 50 10 JKGE CC1(C)CC2(CC([C@@H](Br)c3cc(Br)ccc3OCc3ccccc3)C2)C1 2336054177 PTCDYVAPYDBBQT-OAQYLSRUSA-N 478.268 7.681 50 10 JKGE Brc1ccc(OCc2ccccc2)c([C@H](Br)[C@H]2C[C@@H]2C2CCCCC2)c1 2336075386 OZISRJVTPXAPDJ-ZRCGQRJVSA-N 478.268 7.681 50 10 JKGE Cc1cc(I)c(Oc2ccc(CCl)c(Br)c2)cc1Cl 2336558797 MWBGFWNMBRUIQA-UHFFFAOYSA-N 471.947 6.547 50 10 JKGE Fc1cccc(CBr)c1OCc1cc(Br)cc(Br)c1 2337069933 WQSQFTQPBVCUEK-UHFFFAOYSA-N 452.943 5.825 50 10 JKGE CCCc1sc(Br)cc1[C@@H](Br)c1ccc(C)cc1Br 2338020560 LCONGECZPPQHDD-HNNXBMFYSA-N 467.064 7.018 50 10 JKGE Cc1cc(Br)c(F)c(Br)c1[C@H](Br)[C@@H]1[C@H]2CCCC[C@H]21 2339646228 PDBJQITUZXQWGQ-ZFWZSOMGSA-N 455.003 6.531 50 10 JKGE Cc1cc(Br)c(F)c(Br)c1[C@H](Br)[C@@H]1C[C@@H]2C[C@H]2CO1 2339653763 MUJAPGCTFRYBBE-PRLGWJNPSA-N 456.975 5.520 50 10 JKGE COc1cc(Cl)c(CBr)c(Oc2cccc(I)c2)c1 2340238057 OUXHPBAZPKZONC-UHFFFAOYSA-N 453.501 5.640 50 10 JKGE ClC[C@H](Cc1cc(I)ccc1Cl)c1ccccc1Br 2352429132 DEJQCSYRIQBYAR-NSHDSACASA-N 469.975 6.272 50 10 JKGE Fc1c(Br)cc(Cl)c([C@H](Cl)[C@@H]2CCCCC2(F)F)c1Br 2362241311 VXKYMPMQBBLURK-UPONEAKYSA-N 454.939 7.110 50 10 JKGE Cc1ccc([C@@H](Br)c2c(Cl)cc(Br)c(F)c2Br)cc1C 2362259287 YSTAFPCVIYGJDO-CYBMUJFWSA-N 485.416 7.105 50 10 JKGE Cc1cccc([C@H](Cl)c2c(C)cc(Br)c(F)c2Br)c1Br 2365188192 IYZUXRKHMHMLAF-AWEZNQCLSA-N 485.416 7.058 50 10 JKGE COc1ccc([C@H](Br)c2csc(C)c2Br)c(OC)c1Br 2369588887 WRRZDTQJXKTNNH-LBPRGKRZSA-N 485.035 6.083 50 10 JKGE Cc1cc(CBr)cc(C)c1OCc1cc(I)ccc1Cl 2380520781 AFCOWFLMTSMUOC-UHFFFAOYSA-N 465.556 6.035 50 10 JKGE CC(C)(C)Oc1ccc([C@H](Cl)c2sccc2I)cc1Br 2381312943 JFXCQBKJOVOSII-ZDUSSCGKSA-N 485.612 6.621 50 10 JKGE COCc1cc(Br)c([C@H](Br)c2c(Cl)cc(C)cc2Cl)s1 2381319064 HKVJAAKWZMGYJZ-CYBMUJFWSA-N 459.030 6.757 50 10 JKGE CCCCOc1ccc(Br)cc1C(=O)NNC(=O)c1ccc(OCc2ccccc2)cc1 14649892 ZCNJURJIAHIZSQ-UHFFFAOYSA-N 497.389 5.282 50 10 JKGE N#C/C(=C\c1ccc(-c2cccc(C(F)(F)F)c2)o1)c1nc(O)c2c3c(sc2n1)CCCC3 28356502 JNDPJODIOFYGQT-SDNWHVSQSA-N 467.472 6.619 50 10 JKGE CCOc1ccc(/C=C/C(=O)Oc2ccc(/C=C(/C#N)c3ccc(Cl)cc3)cc2)cc1OC 31901362 XLUOQFBBRROXDE-LUVIRYRBSA-N 459.929 6.430 50 10 JKGE CCOc1ccc(/C=C/C(=O)Oc2ccc(/C=C(/C#N)c3cccc(Cl)c3)cc2)cc1OC 31901556 XWLZIFAVWKMANE-YNLGFCNJSA-N 459.929 6.430 50 10 JKGE N#C/C(=C\c1ccc(-c2cc(Cl)cc(Cl)c2)o1)C(=O)Nc1sc2c(c1C(N)=O)CCCC2 33567667 CNTUKNPCPNNIOJ-UKTHLTGXSA-N 486.380 5.838 50 10 JKGE CC(C)(C)c1ccc(OCCn2cc(/C=C(/C#N)C(=O)Nc3ccc(F)cc3)c3ccccc32)cc1 33591478 CHVUDLZUYNBHSH-UZYVYHOESA-N 481.571 6.703 50 10 JKGE CCCOc1ccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4ccc(C(C)(C)C)cc4)ccc32)cc1 38650591 SSPFBJGUUOWAGU-HHHXNRCGSA-N 482.580 6.210 50 10 JKGE CCOc1ccc(C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@H]3c2ccc(Cl)cc2Cl)cc1 38655300 IJPGIQKBZQBQBN-QHCPKHFHSA-N 481.335 5.829 50 10 JKGE CCCOc1cccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4cc5ccccc5oc4=O)ccc32)c1 38700978 KFRRPYHNZGMBDS-AREMUKBSSA-N 494.503 5.019 50 10 JKGE CCCCCCOc1ccc(/C=C(\C#N)C(=O)Nc2sc(C)c(C)c2C(=O)OCC)cc1OC 40841264 FNXQOQQHDJEKMA-XSFVSMFZSA-N 484.618 6.055 50 10 JKGE Cc1cccc(COc2ccc(/C=N/NC(=O)CSc3nnc(-c4ccccc4)s3)cc2)c1 40947804 HQTTVOYQVUIBOX-CVKSISIWSA-N 474.611 5.335 50 10 JKGE COc1cccc(C2C(C#N)=C(C)NC(C)=C2C#N)c1OCc1ccc(Br)cc1 48545127 FGTWHJWJAFRMHO-UHFFFAOYSA-N 450.336 5.319 50 10 JKGE CCOc1ccc([C@H](O)CCC(=O)N/N=C/c2cc(C)n(-c3ccc(-c4ccccc4)cc3)c2C)cc1 58893068 BUVZIGZIZHIRDS-GQCRFCPSSA-N 495.623 6.124 50 10 JKGE N#C/C(=C\c1ccc(Cl)c(Cl)c1)c1nc(-c2cc3cc(Cl)cc(Cl)c3oc2=O)cs1 83298017 UWNGMOJXBMIOIZ-KGVSQERTSA-N 494.186 7.594 50 10 JKGE CCC1(CC)[C@H](Cl)C[C@H]1Oc1c(Br)cc(Br)cc1Br 97646521 LVHBNWWFMGBPHI-VXGBXAGGSA-N 475.446 6.539 50 10 JKGE CC1=C(C#N)C(=O)N(Cc2ccccc2)C(=O)/C1=C/c1ccc(OCc2ccc(F)cc2)cc1 101335157 HUMDPAQMHJITQD-MFKUBSTISA-N 452.485 5.197 50 10 JKGE CC1=C(C#N)C(=O)N(C[C@H]2CCCO2)C(=O)/C1=C/c1ccc(-c2cc(Cl)ccc2Cl)o1 101337226 QGGMTILMSZLIQH-FCNRDGCESA-N 457.313 5.025 50 10 JKGE CCC(C)(C)c1ccc([C@@H](Br)c2cc(Br)ccc2Br)cc1 161110941 FORSHLNVBDXWSW-QGZVFWFLSA-N 475.062 7.384 50 10 JKGE Fc1cc([C@@H](Br)c2csc3c(Br)cccc23)c(F)cc1Cl 167734115 LLQHXKZPKTUGNZ-CQSZACIVSA-N 452.545 7.080 50 10 JKGE CC1(C)C[C@@H](NC(=O)NCCc2c[nH]c3cc(OCc4ccccc4)ccc23)C[C@@](C)(CN=C=O)C1 170291085 FRJLOUGTXPQCNA-RNWIMVQKSA-N 488.632 5.509 50 10 JKGE CCCCCCN1C(=O)C(C#N)=C(C)/C(=C/c2cn(-c3ccccc3)nc2-c2ccc(C)cc2)C1=O 214239836 DFLVLAZCFQLINH-ITYLOYPMSA-N 478.596 6.020 50 10 JKGE CCc1ccc(C=NNC(=O)CSc2nnc(-c3ccccc3)n2-c2ccc(C)cc2)cc1 254409899 UNZBBXDCCOOROY-UHFFFAOYSA-N 455.587 5.048 50 10 JKGE Cc1ccc(C(C)C)cc1OCC(=O)NN=Cc1c(OCc2ccc(F)cc2)ccc2ccccc12 254530758 KMDHOWUVFBJVQF-UHFFFAOYSA-N 484.571 6.519 50 10 JKGE ClCCc1nc2c(Br)cccc2n1-c1ccc(I)cc1 312981909 WRMUOCHBQBJQKR-UHFFFAOYSA-N 461.528 5.174 50 10 JKGE C[C@@H](Cl)c1nc2ccncc2n1-c1ccc(Br)c(I)c1 383379117 MEKYANMMICSFDG-MRVPVSSYSA-N 462.516 5.087 50 10 JKGE FC(F)(F)c1csc([C@@H](Br)c2ccc(Br)cc2)c1Br 388003111 PKOOLYMLEHOWGO-VIFPVBQESA-N 478.953 6.776 50 10 JKGE CC(C)[C@H](CN(C)Cc1ccccc1)n1c(CCl)nc2cc(F)c(Br)cc21 397962094 FJBIZUQIDBIDMT-FQEVSTJZSA-N 452.799 6.006 50 10 JKGE C[C@]1(Cn2c(CCl)nc3cc(I)ccc32)CCCN1Cc1ccccc1 398058635 IZKWJZAVARBMBZ-OAQYLSRUSA-N 479.793 5.434 50 10 JKGE ClCc1cc(Br)ccc1OCc1cc(Cl)ccc1I 405319694 YOEYRYWEVFBIPY-UHFFFAOYSA-N 471.947 6.025 50 10 JKGE C[C@H](COc1c(Br)cc(CBr)cc1Br)CC(F)F 687883928 OOFZNWUGWNSZAK-ZETCQYMHSA-N 450.943 5.777 50 10 JKGE COCCOc1ccc([C@@H](Br)c2occc2Br)cc1Br 696533239 COHWAOPMUYZPFF-CYBMUJFWSA-N 468.967 5.314 50 10 JKGE C[C@H](Cl)c1nc2cc(F)c(Br)cc2n1CC(C)(C)N(C)Cc1ccccc1 714233469 QUQTYOLRYUZYRV-AWEZNQCLSA-N 452.799 6.148 50 10 JKGE C[C@H]1CCN(Cc2ccccc2)C[C@H]1n1c(CCl)nc2cc(I)c(F)cc21 716299250 JZSOYURNJNMDKL-VBKZILBWSA-N 497.783 5.602 50 10 JKGE CO[C@@H](C(=O)NN=Cc1c(Br)c(C)n(-c2cc(C)cc(C)c2)c1C)c1ccccc1 1083942712 NLEGFIUAUZJNER-HSZRJFAPSA-N 468.395 5.311 50 10 JKGE Cc1cc(C)cc(CSCC(=O)NN=Cc2cc(C)n(-c3cc(Cl)cc(Cl)c3)c2C)c1 1084553873 FCJJGNWBFUSACT-UHFFFAOYSA-N 474.457 6.401 50 10 JKGE Cc1c(C(=O)Nc2ccc(C(C)C)cc2)oc2c1C(=NNC(=O)c1ccc(Cl)cc1)CCC2 1772743903 NMENFCCRIWQBID-UHFFFAOYSA-N 463.965 6.088 50 10 JKGE Cc1c(C(=O)Nc2ccc3c(c2)OCCO3)oc2c1C(=NNC(=O)c1cccc3ccccc13)CCC2 1772747545 JAFSTMHQSLXKTE-UHFFFAOYSA-N 495.535 5.235 50 10 JKGE Cc1c(C(=O)Oc2ccc(Cl)cc2Cl)oc2c1C(=NNC(=O)c1cccs1)CCC2 1772748434 DCYPYIKHYNDJRY-UHFFFAOYSA-N 463.342 5.646 50 10 JKGE COc1cc(C=NNC(=O)COc2ccc(Cl)c(C)c2)ccc1OCc1ccc(C)cc1 1772754561 KHLJJYLZWYKJQK-UHFFFAOYSA-N 452.938 5.074 50 10 JKGE CCCCCOc1ccc([C@H]2C(C#N)=C(N)Oc3c2c(CCC)nn3Cc2ccccc2Cl)cc1 1865690079 IHUPYWBIJLGKPV-VWLOTQADSA-N 491.035 6.324 50 10 JKGE Cn1cc([C@@H]2C(C#N)=C(N)Oc3c2c(-c2ccccc2)nn3Cc2ccc(F)cc2)c2ccccc21 1865699013 IMSJDHFWFHWWCT-VWLOTQADSA-N 475.527 5.447 50 10 JKGE N#CC1=C(N)Oc2c(c(-c3ccccc3)nn2-c2ccc(Cl)c(Cl)c2)[C@H]1c1cccnc1 1865700160 MBSWVZICZGVVQS-FQEVSTJZSA-N 460.324 5.459 50 10 JKGE CCc1nn(-c2ccc(C)cc2)c2c1[C@@H](c1ccc(OCc3ccccc3C)cc1)C(C#N)=C(N)O2 1865702625 CFZZPQBHMVAUFS-MHZLTWQESA-N 476.580 5.849 50 10 JKGE CCc1nn(CC(C)C)c2c1[C@H](c1ccccc1OCc1ccc(Cl)cc1)C(C#N)=C(N)O2 1865703988 KHFMKLSGTAVHHK-HSZRJFAPSA-N 462.981 5.552 50 10 JKGE COc1ccccc1[C@@H]1C(C#N)=C(N)Oc2c1c(-c1ccccc1)nn2-c1ccc(Cl)c(Cl)c1 1865710500 ZOCGEVBEFDQMHS-JOCHJYFZSA-N 489.362 6.073 50 10 JKGE Cc1nc(-c2ccc(Cl)c(Cl)c2)ccc1C(=O)NNC(=O)[C@H](C)Oc1ccc(Cl)cc1 1865759415 ZCTJCGOTZFSZDN-ZDUSSCGKSA-N 478.763 5.246 50 10 JKGE N#CSc1ccc(Nc2cc(N3CCO[C@@H](c4ccncc4)C3)nc(-c3ccccc3)n2)cc1 1868364929 IKQSEGZTXQGCTM-HSZRJFAPSA-N 466.570 5.433 50 10 JKGE COc1cc(/C=C(\C#N)c2nc3cc(C)ccc3n2C)ccc1OCc1c(Cl)cccc1Cl 1872728061 MJEFPWGNQUFLRA-LDADJPATSA-N 478.379 6.840 50 10 JKGE N#C/C(=C(/O)COc1ccc(Cl)cc1Cl)c1nc(-c2ccc(Cl)cc2Cl)cs1 1872745009 SRTINNXKDNNYIW-LGMDPLHJSA-N 472.180 7.295 50 10 JKGE CC(C)(C)c1ccc(OCCC/C(O)=C(\C#N)c2nc(C(C)(C)C)cs2)c(Br)c1 1872748534 BPFLZHCGLSBDOI-VLGSPTGOSA-N 477.468 7.152 50 10 JKGE C[C@@H](Oc1ccc(Cl)cc1Cl)/C(O)=C(\C#N)c1nc(-c2ccc(Cl)c(Cl)c2)cs1 1872749231 HSNRFOZXZJSTEH-ICHPLGEASA-N 486.207 7.684 50 10 JKGE CCOc1c(Br)cc(/C=C(\C#N)c2nc(-c3cc(C)ccc3C)cs2)cc1OC 1872790982 OWXHQTMSZBUINL-RQZCQDPDSA-N 469.404 6.661 50 10 JKGE N#C/C(=C(/O)c1ccc2c(c1)C(=O)N(Cc1ccccc1)C2=O)c1nc(-c2ccc(F)cc2F)cs1 1872818049 KWZIOZMLVFMWPT-FLFQWRMESA-N 499.498 5.834 50 10 JKGE Fc1cc(Cl)c(Br)c(Cl)c1[C@H](Br)[C@H]1C[C@H]1Br 1899469097 HBNQWLQYGKPLBA-JJXKXHSHSA-N 455.774 6.114 50 10 JKGE Cc1cc(C(=O)N(Cc2ccccc2)[C@H](CBr)C(C)C)ccc1Br 1915294457 ZDCFSZNZRPWLDQ-LJQANCHMSA-N 453.218 5.819 50 10 JKGE Cc1c(Br)sc([C@H](Br)c2cc3c(s2)CCCCC3)c1Br 1922881092 BBBHEJIVEWIEHE-CYBMUJFWSA-N 499.131 7.396 50 10 JKGE Fc1ccc([C@H](Br)c2sc(Br)cc2Br)c(F)c1F 1922946551 SICYMRNWFSTVNP-QMMMGPOBSA-N 464.926 6.175 50 10 JKGE CC(C)(C)OC1CC([C@@H](Cl)c2c(Br)sc(Br)c2Br)C1 1924568234 DFUDKDLGPQDAMS-HNQUHTCLSA-N 495.502 6.909 50 10 JKGE FC(F)(F)COCC[C@@H](Br)c1c(Cl)sc(Br)c1Cl 1925588980 RDEVPOSRYNAQSS-SCSAIBSYSA-N 450.929 6.222 50 10 JKGE C[C@H]1COc2ccc([C@H](Cl)c3cc(I)ccc3Br)cc21 1925733539 DDAXCTYNFKVWRL-FVMDXXJSSA-N 463.540 5.878 50 10 JKGE Cn1nc([C@@H](Br)c2sc(Cl)cc2Br)c(Br)c1Cl 2001989010 WEZNEVHAYMFJII-RXMQYKEDSA-N 483.838 5.798 50 10 JKGE Cc1c(Br)ccc([C@@H](Br)c2sccc2Cl)c1Br 2024295268 PQPRCMKSCGSHRQ-LLVKDONJSA-N 459.428 6.719 50 10 JKGE Cc1c(Br)sc([C@H](Br)CC23CCC(CC2)C3)c1Br 2039381657 SFLLSADTTRFVFZ-OPASDULOSA-N 457.069 6.988 50 10 JKGE Cc1c(Br)sc([C@@H](Br)C[C@@H]2CCC23CCC3)c1Br 2047941355 BTXWPAXPNCKSDS-UWVGGRQHSA-N 457.069 6.988 50 10 JKGE COCc1cc(Br)c([C@H](Cl)c2cc(Br)c(Cl)s2)s1 2052441547 FNSUMOVBRWDPSG-SECBINFHSA-N 451.032 6.463 50 10 JKGE CC[C@@H](C)N(Cc1ccccc1)S(=O)(=O)c1cc(Cl)cc(CBr)c1Cl 2059315242 XGJIPTPIIHQLOL-CYBMUJFWSA-N 465.240 5.878 50 10 JKGE BrCc1ccc(N2[C@H]3CCC[C@H]2CN(Cc2ccccc2)C3)cc1Br 2061945023 SNIPYQVUNFQKPI-PMACEKPBSA-N 464.245 5.587 50 10 JKGE Cc1c(Br)sc([C@@H](Br)[C@@H]2CCCOC2(C)C)c1Br 2066882979 HJBFANLFCVUQOB-WPRPVWTQSA-N 461.057 6.223 50 10 JKGE Clc1c(Br)sc(Br)c1[C@H](Br)[C@H]1C[C@@]12CCCOC2 2077423835 QKSUFRVWKZNGTH-SLOVDRIHSA-N 479.459 6.179 50 10 JKGE Brc1cccc(CN2CC[C@@H](Br)CC23CCC3)c1Br 2113564308 NHEZAYQKTGRFGO-GFCCVEGCSA-N 452.028 5.494 50 10 JKGE Fc1cc(Br)c([C@H](Br)c2scc(Cl)c2Cl)c(F)c1Cl 2136960595 DLSPKBLBXIMURP-ZETCQYMHSA-N 471.375 7.233 50 10 JKGE CC[C@@]12CC[C@@]([C@@H](Br)c3sc(Br)c(C)c3Br)(CO1)C2 2137164527 GMLASOMYQUICHL-UBHSHLNASA-N 473.068 6.367 50 10 JKGE O=C(c1scc(Br)c1Br)N1[C@@H](CBr)CCC12CCC2 2140842299 LYSJOLUYOWJPPK-MRVPVSSYSA-N 472.040 5.195 50 10 JKGE CC(C)(C)c1ccc([C@@H](Cl)c2ccc(Br)cc2I)s1 2142286647 GIMNATHKFRIGKA-AWEZNQCLSA-N 469.613 6.741 50 10 JKGE CCn1ncc(Br)c1[C@@H](Br)c1cc(Br)c(F)cc1OC 2150669184 TVGRFSNJSXEJLN-LBPRGKRZSA-N 470.962 5.060 50 10 JKGE CN(CCN(Cc1ccccc1)C(=O)c1ccc(-c2nc(CCl)cs2)cc1)Cc1ccccc1 2152214258 CBWXPPVNZQPLSB-UHFFFAOYSA-N 490.072 6.323 50 10 JKGE Fc1ccc(N2CCCN(Cc3ccccc3)CC(F)(F)C2)c(CBr)c1Cl 2152788700 GXMCFCDAHWMOLM-UHFFFAOYSA-N 461.753 5.722 50 10 JKGE C[C@H](Cl)c1nc2cc(I)ccc2n1Cc1cscc1Br 2154091579 ZMGDBJOMQKIFFS-QMMMGPOBSA-N 481.584 5.813 50 10 JKGE FC(F)(F)C1CC([C@@H](Br)c2cc(I)cc3c2OCC3)C1 2154552419 RQVBAPYSJHREAB-SHVIVCPWSA-N 461.059 5.251 50 10 JKGE Brc1ccc(Br)c([C@H](Br)[C@@H]2C[C@H]3CCCCCC[C@@H]32)c1 2166130415 UFMIVIZERMUWME-ABYLEIOUSA-N 465.067 7.254 50 10 JKGE CC(C)(C)OC(=O)NCC[C@@H](N(C[C@@H](CBr)CC1CC1)C1CC1)C(F)(F)F 2169162123 LDJHYJQFVKDYBQ-GDBMZVCRSA-N 457.375 5.108 50 10 JKGE CCc1cc([C@@H](Br)c2cccc(F)c2I)c(F)cc1F 2175392075 REIRDYFRPVRSJO-AWEZNQCLSA-N 455.055 5.755 50 10 JKGE O=C(NCC[C@H]1CCCC[C@@H]1Br)c1cc(Cl)ccc1I 2179638565 XPCWTCSXTCRZSV-MFKMUULPSA-N 470.576 5.018 50 10 JKGE Cc1cc(Br)c(C)c([C@H](Br)C23CCC(CC2)OC3)c1Br 2201074073 PVPUYJYSECFYIS-AJQRCPHMSA-N 467.039 6.224 50 10 JKGE CCn1ncc(Br)c1[C@H](Br)c1cc(Br)c(OC)cc1F 2202912012 GYAUSCPSETZMRU-GFCCVEGCSA-N 470.962 5.060 50 10 JKGE Cc1c(Br)ccc([C@@H](Br)[C@H]2CC(C)(C)OC2(C)C)c1Br 2203694167 SKNZDFPWJHIBLX-BXUZGUMPSA-N 469.055 6.550 50 10 JKGE O=C(c1cc(Cl)ccc1I)N1CCCC[C@H]1CCCBr 2206673961 CIOBADOIZNLMER-LBPRGKRZSA-N 470.576 5.114 50 10 JKGE CO[C@@H]1CC[C@H]([C@@H](Br)c2c(Br)cc(Cl)c(Cl)c2Cl)C1 2224304634 LGZFCOZXTFMJCW-MVKOHCKWSA-N 451.413 6.660 50 10 JKGE Cn1cc([C@H](Cl)c2c(Br)cc(Cl)c(Cl)c2Cl)nc1Br 2224312900 RLAZRYSMMJSBBW-VIFPVBQESA-N 467.803 6.234 50 10 JKGE Cc1ccc(Cl)cc1[C@H](Br)c1cc(Br)c(Br)cc1F 2225616640 HOALMIZHLFTUCR-AWEZNQCLSA-N 471.389 6.797 50 10 JKGE COc1cc(F)c([C@@H](Br)c2scc(Br)c2C)cc1Br 2226127537 WXRGBSOAHQOTHU-GFCCVEGCSA-N 472.999 6.214 50 10 JKGE Brc1cnc(N2C[C@H](Br)CC23CCCCC3)c(Br)c1 2232272868 GLXQTERWRITTFM-LLVKDONJSA-N 453.016 5.283 50 10 JKGE CC1(C)CCC[C@H]([C@@H](Br)c2cc(I)cc3c2OCC3)O1 2235155144 HCMKVESRKSWDKI-KGLIPLIRSA-N 451.142 5.010 50 10 JKGE COc1cc(Br)c([C@H](Br)c2c(Br)nn(C)c2C)cc1C 2236010806 HGVZRMSUBBJIBJ-ZDUSSCGKSA-N 466.999 5.055 50 10 JKGE CC1(C)CN(C(=O)c2ccc(Br)cc2Br)C[C@@H]1CCBr 2238462974 KCONIEGMFOAHPJ-JTQLQIEISA-N 468.027 5.095 50 10 JKGE Fc1cc([C@H](Br)c2sccc2Br)c(Cl)cc1Br 2247998850 LUVKQTOWSVGAFS-JTQLQIEISA-N 463.391 6.550 50 10 JKGE Brc1cc2sc([C@H](Br)c3ccsc3Br)cc2s1 2252911346 RIOCTISNXGMABD-SNVBAGLBSA-N 473.074 7.034 50 10 JKGE COc1c([C@@H](Br)c2c(Cl)sc(Br)c2Cl)csc1C 2259129683 CUDCJWWHONJBJR-SSDOTTSWSA-N 451.032 6.680 50 10 JKGE COc1ccc([C@H](Br)c2cccc(OCc3ccccc3)c2)c(Br)c1Cl 2268267306 COSOFEXJBFGWQH-LJQANCHMSA-N 496.626 7.174 50 10 JKGE C=CC[C@@]1(CBr)CCN(Cc2c(Br)cccc2Br)C1 2272115429 NLSXHMWDRRJIRE-HNNXBMFYSA-N 452.028 5.375 50 10 JKGE Cc1nc([C@H](Cl)c2c(F)cc(Br)c(F)c2Br)c(Br)s1 2272730811 CQJAQRRNWVFZTJ-MRVPVSSYSA-N 496.396 6.345 50 10 JKGE Cc1cc([C@@H](Cl)c2c(Br)cc(C)c(F)c2C)ccc1I 2279155827 CNUSSYHRZKFIHT-OAHLLOKOSA-N 467.547 6.446 50 10 JKGE C=CC[C@]1(CBr)CCCCN1C(=O)c1csc(Br)c1Br 2287758840 VHIZJOCAZGHTBT-CQSZACIVSA-N 486.067 5.609 50 10 JKGE Cc1ccc(NC(=O)C(C#N)=C2S[C@@H](Cc3cccc(Cl)c3)C(=O)N2c2ccc(F)cc2)cc1 2293038875 DFIGKHHWVHIIPP-QHCPKHFHSA-N 491.975 5.853 50 10 JKGE FC(F)(F)c1cscc1[C@@H](Br)Cc1cc(Br)cc(Br)c1 2295329541 JQQVOXWBXGHCJA-LBPRGKRZSA-N 492.980 6.971 50 10 JKGE FC1(F)CCC[C@H]1[C@@H](Br)c1cc(Br)ccc1OCc1ccccc1 2299535514 PQFQRYDPABHCHU-WMZOPIPTSA-N 460.156 6.900 50 10 JKGE CCOc1cc(C=C(C#N)C(=O)Nc2cccc(C)c2)cc(Cl)c1OCc1ccc(F)cc1 2313541187 ZTDMUFWYOGONQB-UHFFFAOYSA-N 464.924 6.311 50 10 JKGE C=CCc1cc(C=C(C#N)C(=O)N2CCN(c3ccccc3)CC2)ccc1OCc1ccccc1F 2313567686 MKIOHWJMABWPTG-UHFFFAOYSA-N 481.571 5.389 50 10 JKGE Cc1ccc(NC(=O)C(C#N)=Cc2cc(Cl)ccc2OCc2ccc(Cl)cc2)c(C)c1 2313667453 NEDWLKLOLPJPJM-UHFFFAOYSA-N 451.353 6.735 50 10 JKGE FC1(F)CC[C@@H]2[C@H]([C@@H](Br)c3cc(Br)ccc3OCc3ccccc3)[C@H]21 2314438738 AYCCHIMEGKGSSA-FCLVOEFKSA-N 472.167 6.755 50 10 JKGE Brc1ccc(OCc2ccccc2)c([C@H](Br)[C@@H]2C[C@H]2C2CCCC2)c1 2314444777 MVSJSHHYKWVZTD-NNMXDRDESA-N 464.241 7.290 50 10 JKGE Brc1ccc(OCc2ccccc2)c([C@H](Br)C23CCC(CC2)CC3)c1 2314453780 ZMOGCDATWUBPSW-QJVIICBYSA-N 464.241 7.435 50 10 JKGE Cc1ccccc1NC(=O)C(C#N)=Cc1c(Oc2ccc(Cl)cc2)nc2c(C)cccn2c1=O 2314534080 XUZRKELYVSHPJB-UHFFFAOYSA-N 470.916 5.303 50 10 JKGE N#CC(=Cc1ccc(-c2ccc(Cl)cc2Cl)o1)C(=O)Nc1cc(Cl)cc(Cl)c1 2314572289 XUNCOGOHJLDHDI-UHFFFAOYSA-N 452.124 7.106 50 10 JKGE CCCCOc1ccc(C=C(C#N)C(=O)Nc2nc(-c3ccc(OCCCC)cc3)cs2)cc1 2314754723 ZHPNSMOESDOJOB-UHFFFAOYSA-N 475.614 6.714 50 10 JKGE CCC1(CC)[C@@H](Br)C[C@H]1Oc1cc(Br)cc(I)c1 2316851099 JXRDKNDXGDXXMO-QWHCGFSZSA-N 488.001 5.775 50 10 JKGE COc1ccc(C(C)=NNC(=O)c2ccc(-c3ccc(Cl)cc3Cl)nc2C)c(OC)c1 2321276008 BGRNUZBCXLFBCE-UHFFFAOYSA-N 458.345 5.535 50 10 JKGE CC[C@@H](C)N1C(=O)c2ccc(C(O)=C(C#N)c3nc(-c4ccc(Cl)cc4Cl)cs3)cc2C1=O 2331251453 UJAXMIMRJPYVPA-GFCCVEGCSA-N 498.391 6.461 50 10 JKGE CCCOc1ccc(-c2csc(C(C#N)=C(O)c3cc4ccccc4oc3=O)n2)cc1OCCC 2331293456 NJZJMXFCPJQDAA-UHFFFAOYSA-N 488.565 6.444 50 10 JKGE COc1ccc(OC)c(-c2csc(C(C#N)=C(O)[C@@H](C)Oc3ccccc3C(C)C)n2)c1 2331325934 DWXULJGDEZIHJE-MRXNPFEDSA-N 450.560 6.211 50 10 JKGE COc1ccc(C(C)(C)C)cc1-c1csc(C(C#N)=C(O)c2cc3ccccc3oc2=O)n1 2331351121 SKQICCBGGRZTEZ-UHFFFAOYSA-N 458.539 6.172 50 10 JKGE COc1ccccc1OCC(O)=C(C#N)c1nc(-c2ccc(Oc3ccccc3)cc2)cs1 2331360156 JIHPJWPUFIOTMQ-UHFFFAOYSA-N 456.523 6.483 50 10 JKGE CCOc1ccc(OCC)c(-c2csc(C(C#N)=C(O)C=Cc3ccc(Cl)c(Cl)c3)n2)c1 2331376615 YTYCYQZGUHFAQG-UHFFFAOYSA-N 487.408 7.420 50 10 JKGE CCOc1ccc(-c2csc(C(C#N)=C(O)COc3ccccc3OCC)n2)c(OCC)c1 2331386494 FUGGSSGCCAGJTB-UHFFFAOYSA-N 466.559 5.878 50 10 JKGE COc1cc(C)c(-c2csc(C(C#N)=C(O)CCCN3C(=O)c4ccccc4C3=O)n2)cc1C 2331402835 XDNCNYCUVUPJQV-UHFFFAOYSA-N 473.554 5.305 50 10 JKGE N#CC(=C(O)CCCOc1ccccc1Cl)c1nc(-c2cc(Cl)ccc2Cl)cs1 2331404435 DZHCMIHDYCHUQE-UHFFFAOYSA-N 465.789 7.422 50 10 JKGE CCCOc1c(Br)cc(C=C(C#N)c2nc(-c3ccc(OC)cc3)cs2)cc1OC 2331431195 AYGYFDYLVOGVCZ-UHFFFAOYSA-N 485.403 6.443 50 10 JKGE Brc1cc(OCc2ccccc2)ccc1[C@@H](Br)c1ccc2c(c1)COC2 2336049556 DJYYBOFYEYBDRO-QFIPXVFZSA-N 474.192 6.543 50 10 JKGE Brc1cc(OCc2ccccc2)ccc1[C@@H](Br)[C@@H]1Cc2ccccc2O1 2336052286 ZQMIOERTTJWBEJ-FCHUYYIVSA-N 474.192 6.468 50 10 JKGE Cc1cc(I)c(OCC2(CBr)CCCCC2)cc1Cl 2336453906 OANTZLVXWQDXCW-UHFFFAOYSA-N 457.577 5.977 50 10 JKGE CC(C)(C)OC(=O)NCC[C@@H]1CCN(CCCCCI)[C@@H](C(F)(F)F)C1 2337586833 BZXMAHAKZWBYGJ-HUUCEWRRSA-N 492.364 5.149 50 10 JKGE COc1cc([C@H](Br)c2csc(I)c2)c(OC)cc1Cl 2338241984 QDHAJLJULYHMGQ-CYBMUJFWSA-N 473.557 5.508 50 10 JKGE COc1ccc(C[C@H](Br)c2cc(Cl)c(Br)s2)c(Br)c1 2338884114 AXKRYVRTVAGBMK-JTQLQIEISA-N 489.454 6.614 50 10 JKGE Cc1cc(Cl)c([C@@H](Br)c2ccc(Cl)cc2I)cc1Cl 2340067111 YENFLPSSLNDXFN-AWEZNQCLSA-N 490.393 7.044 50 10 JKGE CC1CCC(CBr)(OCc2ccc(Cl)cc2I)CC1 2340110801 UKRWFBGHRBQXLF-UHFFFAOYSA-N 457.577 5.805 50 10 JKGE C[C@@H](c1ccncc1F)[C@H](Br)c1cc(Br)ccc1I 2344692428 MEHLKLMTUGSVKT-RTHLEPHNSA-N 498.959 5.828 50 10 JKGE Cc1cc(CCl)ccc1OCc1ccc(I)c(Br)c1 2349808187 OIGXQKSTYGCUTF-UHFFFAOYSA-N 451.529 5.680 50 10 JKGE Cc1cccc(CBr)c1OCc1cc(I)ccc1Cl 2352420949 ROXMWPGUFIFYQM-UHFFFAOYSA-N 451.529 5.727 50 10 JKGE Fc1cc(Cl)c(Br)c(Cl)c1[C@H](Br)[C@@H]1CCC[C@H]1C(F)F 2360436758 PMWIRWSSFQMVHI-OXOINMOOSA-N 454.939 7.012 50 10 JKGE FCC12CC([C@@H](Cl)c3c(Cl)cc(Br)c(F)c3Br)(CO1)C2 2362226822 ZUWYBRZFGUGEAN-HIFPTAJRSA-N 450.932 5.803 50 10 JKGE Fc1c(Br)cc(Cl)c([C@H](Br)CC2CC(C(F)F)C2)c1Br 2362234842 JBNQLGWSNNRPQJ-KPGICGJXSA-N 499.390 7.122 50 10 JKGE C[C@@H]1CCCC[C@]12[C@H](Cl)C[C@H]2Oc1cc(Br)cc(I)c1 2364108610 ZCLMQNBMDQEPPP-HMTTWLPMSA-N 469.588 6.009 50 10 JKGE COc1ccc([C@@H](Br)c2c(C)cc(Br)c(OC)c2Br)s1 2365183820 MCFFMANSSHHFIJ-GFCCVEGCSA-N 485.035 6.083 50 10 JKGE COC[C@@]1([C@H](Br)c2c(C)cc(Br)c(F)c2Br)CCCO1 2365221114 PUNBZUQSTIGYJJ-ZIAGYGMSSA-N 474.990 5.291 50 10 JKGE Brc1ccc([C@@H](CI)OCC2CCCCCCC2)cc1 2368654993 MHROMGRLGUKZOR-QGZVFWFLSA-N 451.186 6.302 50 10 JKGE C=CC[C@@]1(CCl)CCCCN1Cc1ccc(I)c(Br)c1 2377353864 JIJUEFWVYOVJQG-INIZCTEOSA-N 468.604 5.593 50 10 JKGE Cc1nc([C@H](Br)c2cc(C(C)C)c(Br)cc2C)c(Br)s1 2380939768 ODLPVEAMECEBMA-CYBMUJFWSA-N 482.079 6.893 50 10 JKGE N#C/C(=C/c1ccc(-c2cccc(Cl)c2)o1)C(=O)Nc1ncc(Cc2ccc(Cl)cc2)s1 2670771 CJZGDMYGFYRXPU-ATVHPVEESA-N 480.376 6.846 50 10 JKGE O=C(NC1CCCCCC1)[C@@H](c1ccc(Cl)cc1)N(Cc1cccs1)C(=O)CCl 3038817 UZNMDJUJTVQPHR-OAQYLSRUSA-N 453.435 5.549 50 10 JKGE COc1ccc(CCC(=O)Oc2cccc(/C=C(/C#N)c3ccc(OC)c(OC)c3)c2)cc1OC 31902946 GZUPHXXIGRNXJT-HMAPJEAMSA-N 473.525 5.323 50 10 JKGE COc1cccc(/C=C(/C#N)C(=O)Nc2ccc(Cl)c([N+](=O)[O-])c2)c1OCc1cccc(Cl)c1 33792506 DQXZIVVHQRCHQW-BOPFTXTBSA-N 498.322 6.035 50 10 JKGE O=C(NNC(=O)c1ccc2nc(-c3ccccc3)c(-c3ccccc3)nc2c1)c1ccc(Cl)cc1 33809153 HNAXMDZRHPLWDU-UHFFFAOYSA-N 478.939 5.692 50 10 JKGE CCOc1cc(/C=C(/C#N)C(=O)Nc2cccc(Cl)c2)ccc1OCc1ccccc1F 33887747 PRRYERPZNPGUOS-UNOMPAQXSA-N 450.897 6.002 50 10 JKGE N#C/C(=C/c1ccccc1OCC(=O)Nc1nccs1)c1nc(-c2ccc(F)cc2)cs1 35519705 SNHGLOGOVNXSFO-BOPFTXTBSA-N 462.531 5.487 50 10 JKGE N#CC1=C(N)Oc2cc(OC(=O)c3cc([N+](=O)[O-])ccc3Cl)ccc2[C@H]1c1ccccc1Cl 38651111 BKCHSLAYEAZABV-OAQYLSRUSA-N 482.279 5.339 50 10 JKGE N#CC1=C(N)Oc2cc(OC(=O)COc3cccc(Cl)c3)ccc2[C@@H]1c1ccc(Cl)cc1 38651434 UUOCUMVXTGCVRI-QHCPKHFHSA-N 467.308 5.196 50 10 JKGE COc1cccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4oc5cc(C)ccc5c4C)ccc32)c1 38687316 YQZUVBVMCMVBTO-VWLOTQADSA-N 466.493 5.496 50 10 JKGE Cc1c(C(=O)N2c3ccccc3C[C@@H]2C)oc2c1/C(=N/NC(=O)c1cccc3ccccc13)CCC2 40813554 UJLQIDQTYOUJAP-SPXLBQJLSA-N 477.564 5.803 50 10 JKGE CCCCc1ccc(N(C(=O)/C(C#N)=C/c2ccccc2OC)S(=O)(=O)c2ccc(C)cc2)cc1 40977769 SZDRFABZXUUMNS-LYBHJNIJSA-N 488.609 5.675 50 10 JKGE CCOc1ccc(/C=C(\C#N)C(=O)Nc2nc(-c3ccc4c(c3)CCCC4)cs2)cc1OC 41013224 OSCGYIIFEGSEFP-CIAFOILYSA-N 459.571 5.642 50 10 JKGE Cc1c(Cl)cccc1NC(=O)CCC(=O)N/N=C/c1ccccc1OCc1ccccc1Cl 59382396 ZRQLBXNIZGDCHM-RWPZCVJISA-N 484.383 5.750 50 10 JKGE Cl[C@@H](c1ccccc1I)c1cc(Br)sc1Br 71087902 CRFAPSTWLMFXFC-JTQLQIEISA-N 492.401 6.206 50 10 JKGE CCCCCCCCCCOc1ccc(C(=O)N/N=C2\C[C@@H](C)Cc3cc(OC)ccc32)cc1 105635072 SFIPMTKAYOWALQ-JSDLAPFKSA-N 464.650 6.931 50 10 JKGE Fc1ccc(Br)cc1CC(CBr)(CBr)c1ccccc1 118876604 DAIDNCXYRCBYHQ-UHFFFAOYSA-N 464.998 5.859 50 10 JKGE FC(F)(F)COCCC(CBr)(CBr)c1ccc(Br)cc1 118878590 HAOXLOWQSHRUJM-UHFFFAOYSA-N 482.960 5.446 50 10 JKGE CC(C)(C)c1ccccc1[C@H](Br)c1cc(Br)sc1Br 132894789 HDPOKGHCQFLHCM-ZDUSSCGKSA-N 467.064 7.055 50 10 JKGE Fc1ccc(C[P+](c2ccccc2)(c2ccccc2)c2ccccc2)cc1Oc1ccccc1 139051987 WALPYYOGTUITEL-UHFFFAOYSA-N 463.512 7.112 50 10 JKGE Brc1cccc(CO[C@@H](CI)c2cccc(Br)c2)c1 162544570 GKHAOIAYDYJUIF-HNNXBMFYSA-N 495.980 5.905 50 10 JKGE COc1ccc(N(C(=O)CCl)[C@H](C(=O)N[C@H]2CCCC[C@@H]2C)c2ccc(Cl)cc2)c(OC)c1 169703939 LVEFNMRRDZWWRR-YFBXQHAESA-N 493.431 5.365 50 10 JKGE COc1c(C)cc([C@H](Br)c2cc(Br)c(Br)s2)cc1C 214882504 YFQPRDUMRGYKLN-LBPRGKRZSA-N 469.036 6.383 50 10 JKGE CCOc1ccc(C)cc1[C@H](C)NC(=O)/C(C#N)=C\Nc1ccc(-c2nc3ccc(C)cc3s2)cc1 217186691 SLTQXOFGISGNQH-OZNYCYRCSA-N 496.636 6.676 50 10 JKGE FC(F)(F)c1cc(Br)ccc1[C@@H](Cl)c1cc(Cl)c(Br)s1 229518823 LRXDIOQMHLUOER-SNVBAGLBSA-N 468.947 7.274 50 10 JKGE Cc1cc(Cl)ccc1[C@@H](Br)c1cc(Br)sc1Br 235826462 JKOMOQFDWGBLGE-LLVKDONJSA-N 459.428 6.719 50 10 JKGE CCC(=NNC(=O)c1cc(-c2ccccc2)nc2c(Cl)cccc12)c1ccc(OC(C)C)cc1 254753958 WGVLHAKMLJMYCH-UHFFFAOYSA-N 471.988 6.887 50 10 JKGE CC(=NNC(=O)[C@H]1C[C@H]1c1ccc(C(C)(C)C)cc1)c1ccc(NC(=O)c2ccc(Cl)cc2)cc1 254863227 HTARNNOWABQFGZ-UIOOFZCWSA-N 488.031 6.534 50 10 JKGE COc1cc(C=NNC(=O)[C@@H](C)Oc2ccc(C)cc2Br)ccc1OCc1ccccc1 256017319 FJNPWMUVGFSORM-GOSISDBHSA-N 497.389 5.263 50 10 JKGE Cc1cc([C@@H](Cl)c2cc(Br)ccc2I)c(Cl)cc1F 300478193 VLYSDYCWYYXEBM-CQSZACIVSA-N 473.938 6.483 50 10 JKGE Cc1cc(C)c([C@@H](Br)c2cccc(OCc3ccccc3)c2)c(C)c1Br 312115631 PODJASTYXRTGCG-QHCPKHFHSA-N 474.236 7.438 50 10 JKGE Fc1cccc2nc(CCl)n(-c3ccc(Br)c(I)c3)c12 312233429 ICCCYDCKONQMFJ-UHFFFAOYSA-N 465.491 5.271 50 10 JKGE Brc1ccc([C@@H]2CN(Cc3ccccc3)C[C@H]2CI)s1 382732631 VICYAFXTHMNVDW-ZIAGYGMSSA-N 462.194 5.161 50 10 JKGE Brc1cc(Br)cc([C@H]2CCC[C@H](CI)O2)c1 394511559 BFZJKSHMWZJPHY-VXGBXAGGSA-N 459.947 5.257 50 10 JKGE Fc1cc(Br)c([C@@H](Br)Cc2cccc(Br)c2)c(F)c1F 398731937 MTOYGLBRKWSPMS-VIFPVBQESA-N 472.924 6.308 50 10 JKGE CC(C)[C@H](C)/C=C/[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 504636524 UIBBRXVBQYADRW-ZXVFHTQZSA-N 477.571 8.072 50 10 JKGE BrCc1cc(Br)cc(Br)c1OCc1csc(C2CC2)n1 694939222 CBFNHSBSZKGOHI-UHFFFAOYSA-N 482.035 6.019 50 10 JKGE CC1(C)CC[C@H](CBr)N(C(=O)c2cc(Br)cc(Br)c2)C1 701598297 YJMTWHFPQMXCFP-CYBMUJFWSA-N 468.027 5.237 50 10 JKGE COCCc1ccc([C@H](Br)c2scc(Br)c2Br)cc1 705461602 BTFGDYQCMUCKMH-LBPRGKRZSA-N 469.036 5.946 50 10 JKGE C[C@@H](COc1c(Br)cc(CBr)cc1Br)CC(C)(C)C 709239460 DIRAOPWYHJGPAT-SNVBAGLBSA-N 457.044 6.558 50 10 JKGE CCOc1cc(C=NNC(=O)Cc2cccc3ccccc23)ccc1OCc1cccc2ccccc12 1083955294 SKVRSOIFVWYJEP-UHFFFAOYSA-N 488.587 6.664 50 10 JKGE Cc1ccc(NC(=O)/C(C#N)=C/c2ccc(OCc3ccc(I)cc3)cc2)cc1 1084212242 ZYVZHLKJWGPVJH-XSFVSMFZSA-N 494.332 5.724 50 10 JKGE COc1ccc(C(C)=NNC(=O)c2ccc(CSc3ccc(Cl)cc3)cc2)cc1OC 1084539312 LLWRXIFDDJQNHP-UHFFFAOYSA-N 454.979 5.804 50 10 JKGE COc1ccc(-c2nn(Cc3ccccc3)c3c2[C@H](c2c(F)cccc2Cl)C(C#N)=C(N)O3)cc1 1865686655 YNIDDYIKLFBIQZ-QFIPXVFZSA-N 486.934 5.618 50 10 JKGE CC(C)c1ccc([C@H]2C(C#N)=C(N)Oc3c2c(C(F)(F)F)nn3Cc2cccc(F)c2)cc1 1865686690 ZNEBTDHRHVXMBP-IBGZPJMESA-N 456.443 5.431 50 10 JKGE CCOc1c(OC)cccc1[C@H]1C(C#N)=C(N)Oc2c1c(C(F)(F)F)nn2-c1cccc(Cl)c1 1865694408 XWBYEZQBEQJZFG-KRWDZBQOSA-N 490.869 5.170 50 10 JKGE CCCn1nc(C(F)(F)F)c2c1OC(N)=C(C#N)[C@@H]2c1ccccc1OCc1ccccc1Cl 1865702786 FIHCOYAYRMMYNX-IBGZPJMESA-N 488.897 5.762 50 10 JKGE Cc1ccccc1COc1ccc([C@@H]2C(C#N)=C(N)Oc3c2c(C)nn3Cc2ccccc2Cl)cc1 1865703324 SZWOANZVVVPAQR-HHHXNRCGSA-N 496.998 5.999 50 10 JKGE CCCc1nn(-c2ccccc2Cl)c2c1[C@H](c1cc(Cl)c(O)c(OC)c1)C(C#N)=C(N)O2 1865706661 BYOMCUIEOYPQAJ-LJQANCHMSA-N 471.344 5.064 50 10 JKGE C/C(=C\c1ccccc1)C(=O)N[C@H](Cc1ccc(F)cc1)C(=O)Nc1ccc(SC#N)cc1 1866809167 CXXBAPODHCTYOR-MMYRTMNYSA-N 459.546 5.168 50 10 JKGE N#CSc1ccc(NC(=O)[C@H](NC(=O)c2nc(C(F)(F)F)n3ccccc23)c2ccccc2)cc1 1867286724 HOCHPBGLSBKEKX-LJQANCHMSA-N 495.486 5.036 50 10 JKGE COc1cc(/C(O)=C(\C#N)c2nc(-c3ccc4ccccc4c3)cs2)c([N+](=O)[O-])cc1OC 1872745457 NQKQJVVFNBQPKN-NKFKGCMQSA-N 459.483 5.839 50 10 JKGE CC[C@@H](C)N1C(=O)c2ccc(/C(O)=C(\C#N)c3nc(-c4ccc(Cl)cc4)cs3)cc2C1=O 1872748351 UDJLDEQCCSZYSR-IUXHBZJFSA-N 463.946 5.808 50 10 JKGE N#C/C(=C(/O)CNC(=O)c1ccc(Cl)cc1Cl)c1nc(-c2ccc3c(c2)OCO3)cs1 1872752687 NZXMCURGNKGUNB-VKAVYKQESA-N 474.325 5.068 50 10 JKGE COc1ccc(-c2csc(/C(C#N)=C(\O)CCCOc3ccccc3Cl)n2)c(OC)c1 1872755366 KBXNJZMWPUTMPN-JZJYNLBNSA-N 456.951 6.133 50 10 JKGE CCOc1ccc(-c2csc(/C(C#N)=C(\O)CCCOc3ccc(OC)cc3)n2)c(OCC)c1 1872755518 RFUQUAPZRFCYOU-GYHWCHFESA-N 480.586 6.268 50 10 JKGE COc1ccc(-c2csc(/C(C#N)=C(\O)[C@@H](C)Oc3ccc(C(C)C)cc3)n2)cc1Cl 1872757466 HMSPWXWQAPSXOA-GUYLDNPGSA-N 454.979 6.856 50 10 JKGE CCOc1cc(/C=C(\C#N)c2nc(-c3ccc4c(c3)OCO4)cs2)ccc1OCc1ccccc1 1872792195 KLLLYSJXAIKARX-WSDLNYQXSA-N 482.561 6.581 50 10 JKGE N#C/C(=C\c1c(OCc2ccccc2)ccc2ccccc12)c1nc(-c2ccc(F)c(F)c2)cs1 1872793247 PTESIFJRBFALQI-HYARGMPZSA-N 480.539 7.885 50 10 JKGE N#C/C(=C(/O)c1ccc2c(c1)C(=O)N(Cc1ccco1)C2=O)c1nc(-c2ccc(F)cc2F)cs1 1872818152 OSLQDWQWKFNHOA-QOCHGBHMSA-N 489.459 5.427 50 10 JKGE FC(F)(F)[C@@H]1C[C@H]1C[C@@H](Br)c1cc(Br)c(Br)s1 1908750974 UJKMBGOPJNPXHR-KVQBGUIXSA-N 456.947 6.298 50 10 JKGE Cc1ccc(C)c([C@H](Br)c2c(Br)sc(Br)c2Cl)c1 1923038738 KNCOKXHVYPUJOH-JTQLQIEISA-N 473.455 7.028 50 10 JKGE CCC[C@H](CC(C)C)[C@@H](Br)c1c(Br)sc(Br)c1Cl 1923050308 SOAKYAZMHNDWCB-PSASIEDQSA-N 481.519 7.825 50 10 JKGE CCOc1ccccc1[C@@H](Br)c1c(Br)sc(Br)c1Cl 1923068449 RPUKJRUZVQZQSJ-SNVBAGLBSA-N 489.454 6.810 50 10 JKGE CC1(C)[C@H]2C[C@H]([C@@H](Cl)c3c(Br)sc(Br)c3Br)C[C@H]21 1924572301 XZCQTHDDJZFMLI-QGOVLLJGSA-N 477.487 6.998 50 10 JKGE Brc1cc([C@H](Br)c2sncc2Br)c(Br)s1 1928068505 MKJZZGQAHWSGPD-LURJTMIESA-N 496.869 5.976 50 10 JKGE Cc1cc([C@@H](Cl)c2cccc(Br)c2Br)sc1Br 1943903699 QOSKPOSNFRGPHK-NSHDSACASA-N 459.428 6.672 50 10 JKGE Brc1sc(Br)c([C@H](Br)[C@@H]2CC[C@H]3C[C@@H]32)c1Br 1975781850 KVZDQIRSYMROHX-SKHQTKALSA-N 493.884 6.518 50 10 JKGE CC[C@@H](Br)CN(Cc1ccccc1)Cc1ccc(Cl)c(Br)c1F 1979518047 QGEWGJIFJHVNQO-OAHLLOKOSA-N 463.616 6.417 50 10 JKGE Clc1cccc(C[C@H](Br)c2c(Br)cccc2Br)c1 2033091893 WTPDBRZQVBSKMM-ZDUSSCGKSA-N 453.399 6.544 50 10 JKGE Brc1cc([C@H](Br)c2ccc(C3CC3)cc2)sc1Br 2036362804 OTBAYIDWDIICBR-CYBMUJFWSA-N 451.021 6.635 50 10 JKGE Cc1c(Br)sc([C@H](Br)[C@H]2COCCC2(F)F)c1Br 2047876492 WKDZPCAXQBRNDX-HTRCEHHLSA-N 468.983 5.689 50 10 JKGE Cl[C@@H](c1cc2sccc2s1)c1ccc(Br)cc1I 2086145991 UFIARMUDOPNREQ-CYBMUJFWSA-N 469.594 6.658 50 10 JKGE Clc1cccc(OCc2ccc(Br)cc2Br)c1CBr 2092263919 AZURHSPODSHHGE-UHFFFAOYSA-N 469.398 6.339 50 10 JKGE F[C@@H]1CC[C@H](CC(CBr)(CBr)c2ccccc2Br)C1 2093928638 UHZZBMXXIVFHHO-NWDGAFQWSA-N 457.019 6.005 50 10 JKGE C[C@H]1CCC[C@](CBr)(NC(=O)c2csc(Br)c2Br)C1 2093944596 MQIMUZFAWHHZJF-SDBXPKJASA-N 474.056 5.347 50 10 JKGE CCC(CC)(CBr)CNC(=O)c1c(Br)cccc1Br 2094087857 DSHAHJPUFDHJTO-UHFFFAOYSA-N 456.016 5.143 50 10 JKGE O=C(NC1(CCBr)CCCC1)c1c(Br)cccc1Br 2094093987 WZPUAYYDLDMXJJ-UHFFFAOYSA-N 454.000 5.039 50 10 JKGE Clc1c(Br)sc(Br)c1[C@H](Cl)c1cc2c(s1)CCOC2 2103246188 HNWHGEAOQHLMDD-SECBINFHSA-N 463.043 6.389 50 10 JKGE Clc1cccc([C@H](Br)CCc2c(Br)cccc2Br)c1 2113491490 PFBBQSWVXRZVIP-CYBMUJFWSA-N 467.426 6.934 50 10 JKGE COc1cc(Br)c(C)cc1[C@@H](Br)c1cc(Br)c(Cl)s1 2115932796 YHSWPIMLZXZXTK-GFCCVEGCSA-N 489.454 6.728 50 10 JKGE COC[C@@H]1CC[C@@H]([C@H](Br)c2cc(Br)c(C)cc2Br)C1 2125331157 XVFVRTPSJWISBX-HFAKWTLXSA-N 455.028 6.019 50 10 JKGE CC[C@@H]1OCC[C@H]1[C@@H](Br)c1c(C)c(Br)cc(C)c1Br 2136380938 XLQWKQXZHRJNSQ-IFUGULHKSA-N 455.028 6.080 50 10 JKGE FC(F)(F)c1cc([C@@H](Br)c2ccc(Br)cc2Br)cs1 2138849800 KGFOZYNGBSRHBO-LLVKDONJSA-N 478.953 6.776 50 10 JKGE Cc1cc(F)c(F)cc1[C@@H](Cl)c1ccc(I)c(Br)c1 2139626870 FCPGGRNMSYYNSH-AWEZNQCLSA-N 457.483 5.969 50 10 JKGE O=C(NC1(CBr)CCCCCC1)c1c(Br)cccc1Br 2150486898 FDVVVWDTDIEKTG-UHFFFAOYSA-N 468.027 5.429 50 10 JKGE BrCc1cc(Br)cc(Br)c1OC[C@]12CCC[C@H]1CCO2 2152940801 DWEYCEVMOVMKFW-XHDPSFHLSA-N 469.011 5.445 50 10 JKGE O=C(c1cc(Br)cc(Br)c1)N1[C@H]2CCC[C@H](Br)[C@H]1CC2 2154106029 LNIISZKYWXDTBD-MELADBBJSA-N 466.011 5.132 50 10 JKGE C[C@@H](Cl)c1nc2ncccc2n1-c1ccc(I)c(Br)c1 2175999010 XXNKYJDFPPNGAZ-MRVPVSSYSA-N 462.516 5.087 50 10 JKGE CC(C)[C@H](CBr)N(Cc1ccccc1)C(=O)c1ccc(C(F)(F)F)cc1Cl 2179258900 JDTVGJOMDIYCTB-SFHVURJKSA-N 462.737 6.421 50 10 JKGE Cc1cc(Br)c(C)c([C@@H](Br)CC2CC(C(F)F)C2)c1Br 2201068495 REFYAROUTHFSNU-CBINBANVSA-N 475.009 6.946 50 10 JKGE Cc1cc(Br)c(C)c([C@H](Cl)c2ccc(Br)cc2F)c1Br 2201075107 BUQPLLVDJBOGSU-OAHLLOKOSA-N 485.416 7.058 50 10 JKGE Cc1c(Br)ccc([C@@H](Br)c2cc3c(ncn3C)s2)c1Br 2203703776 KKKCREJDBCNAMZ-CYBMUJFWSA-N 479.035 5.953 50 10 JKGE Cc1sc([C@H](Br)c2c(C)sc(Br)c2C)cc1Br 2213748147 IBYGFOPKTWZFFG-NSHDSACASA-N 459.066 6.744 50 10 JKGE Cc1ccc([C@H](Br)c2c(Cl)sc(Cl)c2Cl)cc1I 2217864938 RMJZMXBONMOZIA-VIFPVBQESA-N 496.422 7.106 50 10 JKGE Cc1cc(Br)c([C@H](Cl)c2ccoc2Br)c(C)c1Br 2220151252 FQYZVHBVNUTOSP-GFCCVEGCSA-N 457.387 6.512 50 10 JKGE Clc1cc(Br)ccc1C[C@H](Br)c1snc(Cl)c1Cl 2221696217 XTZZHAASVJAZFU-ZETCQYMHSA-N 450.410 6.545 50 10 JKGE FC(F)(F)[C@@H]1CCO[C@@H]1[C@@H](Br)c1cc(Br)sc1Br 2223760603 QTXOSGXMVFRSKW-DTLFHODZSA-N 472.946 5.677 50 10 JKGE Cc1cc(Br)c([C@H](Br)C2(C)CC(C)(C)C2)c(C)c1Br 2227363239 VOPGIJBYIHCKFT-AWEZNQCLSA-N 453.056 7.091 50 10 JKGE CN(Cc1ccccc1)[C@H](Cn1c(CCl)nc2c(F)cc(Br)cc21)C1CC1 2232916102 MHRHSVRKPVCGSS-LJQANCHMSA-N 450.783 5.587 50 10 JKGE CCOCc1cc(Br)c([C@H](Cl)c2cc(Cl)ccc2Br)s1 2233036491 WNMPGVYIDOAFJF-CYBMUJFWSA-N 459.030 6.791 50 10 JKGE COc1ccc([C@H](Br)c2csc(Br)c2Br)cc1C(C)C 2233132595 FVGVKGMKXZYDFP-ZDUSSCGKSA-N 483.063 6.889 50 10 JKGE Cc1sc([C@H](Br)c2cc3c(cc2Br)OCC3)c(C)c1Br 2234464221 MJJXBZWBVGVQRU-CQSZACIVSA-N 481.047 6.309 50 10 JKGE Cc1cc(Br)c([C@H](Br)C[C@H]2C[C@H]2C(F)(F)F)c(C)c1Br 2235607844 HHWYYROCFGYDDY-FXPVBKGRSA-N 478.972 6.853 50 10 JKGE Cc1cc(Br)c([C@H](Br)[C@@H]2C[C@H]3CCCC[C@H]32)c(C)c1Br 2235615249 PICASMDBXJGRIY-HPTBWKMGSA-N 465.067 7.091 50 10 JKGE Br[C@@H](Cc1ccccc1I)c1ccc([C@@H]2CCOC2)s1 2240431601 KNUONIZWIXKGQI-OLZOCXBDSA-N 463.178 5.535 50 10 JKGE Cl[C@H](c1ccc([C@H]2CCOC2)s1)c1cc(Br)ccc1I 2240440061 YSIRPIJPOHSQMN-VFZGTOFNSA-N 483.596 5.947 50 10 JKGE FC(F)[C@@H]1CCC[C@H]1[C@@H](Br)c1cc(Br)sc1Br 2249237672 LSWNCLDSUIKYPY-HCVRKRLWSA-N 452.984 6.391 50 10 JKGE CCN(C[C@@](C)(CI)O[C@H]1CCCC12CCC2)C(=O)OC(C)(C)C 2250323022 JQOSTOHOIVDRKY-MAUKXSAKSA-N 451.389 5.177 50 10 JKGE C[C@](CBr)(O[C@H]1CCN(Cc2ccccc2)C1)c1ccccc1Br 2250385559 HCBRSOXAIXGMBB-FXAWDEMLSA-N 453.218 5.350 50 10 JKGE Cc1c(Br)sc(C[C@@H](Br)c2ccccc2Br)c1C 2254660870 KYDPRPIJVARCNL-GFCCVEGCSA-N 453.037 6.569 50 10 JKGE Fc1cc(Br)c([C@H](Cl)c2scc(Br)c2Cl)c(F)c1Cl 2264610078 RJMIMVZFWZNSBQ-VIFPVBQESA-N 471.375 7.186 50 10 JKGE COc1ccc([C@@H](Br)c2cc(Cl)ccc2F)cc1I 2269549084 XJILVBUANNATFZ-CQSZACIVSA-N 455.492 5.577 50 10 JKGE Clc1cc(Br)cc([C@H](Cl)c2cc3sc(Br)cc3s2)c1 2278097612 XECKJWMOIMIKTA-ZDUSSCGKSA-N 457.039 7.469 50 10 JKGE Cc1cc(Br)c([C@@H](Br)c2sc(C)c(Br)c2C)c(C)c1F 2279140327 WTDVGZNPMIDRMW-CYBMUJFWSA-N 485.054 7.130 50 10 JKGE COc1c(C)cc(Br)c(C)c1[C@H](Cl)c1scc(Br)c1Cl 2279288150 OPQCBXYOQQTSDX-LBPRGKRZSA-N 459.030 6.880 50 10 JKGE Cc1cc(C)c(C)c([C@@H](Br)c2ccc(Cl)c(I)c2)c1C 2283573134 HNCWFUUTYHUDQQ-KRWDZBQOSA-N 463.584 6.663 50 10 JKGE CN(C(=O)c1ccc(Cl)c(I)c1)[C@H]1CCCCC[C@H]1Br 2283666205 QACMOGAZVNUAAH-RISCZKNCSA-N 470.576 5.113 50 10 JKGE Fc1cc(Cl)c([C@@H](Br)c2cc(Br)c(F)cc2Cl)cc1Cl 2285986004 OTIYGWDACSNOJI-ZDUSSCGKSA-N 465.346 7.172 50 10 JKGE CC1CC2(C1)CC([C@H](Br)c1c(F)cc(Br)c(F)c1Br)C2 2288352899 IBOVPRWGEKIBOH-FVBBEJJLSA-N 472.993 6.752 50 10 JKGE COc1ccc([C@@H](Cl)Cc2cc(Br)cc(Br)c2)c(Br)c1 2295275376 UQQOLJNFFYSYFJ-HNNXBMFYSA-N 483.425 6.505 50 10 JKGE FC(F)(F)C([C@H](Br)c1cc2sc(Br)cc2s1)C(F)(F)F 2295402876 QTVVMLRVFJHUFR-SSDOTTSWSA-N 462.072 6.902 50 10 JKGE COc1ccc(C(C#N)=Cc2ccc(OCc3ccc(Cl)cc3Cl)c(OC)c2)cc1OC 2297341145 ONJMXKRYGRRPAR-UHFFFAOYSA-N 470.352 6.662 50 10 JKGE Cc1ccc(CSC(Nc2cccc(Cl)c2)=C(C#N)S(=O)(=O)c2ccccc2)c(C)c1 2297349908 AEBHMYNZEDGQNZ-UHFFFAOYSA-N 469.031 6.469 50 10 JKGE CCc1cccc(C)c1NC(SCc1ccc(F)cc1)=C(C#N)S(=O)(=O)c1ccccc1 2297349931 DAYCJCPSQGNDLK-UHFFFAOYSA-N 466.603 6.208 50 10 JKGE COc1ccc(C=C(C#N)C(=O)Nc2ccccc2)cc1OCc1c(Cl)cccc1Cl 2313630821 VJRNRQMKONBAAI-UHFFFAOYSA-N 453.325 6.127 50 10 JKGE Brc1cc(OCc2ccccc2)ccc1[C@H](Br)C[C@@H]1C[C@H]2CC[C@H]1C2 2314448610 JFNRWNYEIOGYGF-RYLXDESZSA-N 464.241 7.290 50 10 JKGE Brc1ccc(OCc2ccccc2)c([C@H](Br)[C@H]2C[C@@H]3CCC[C@@H]3C2)c1 2314456244 VLWLZNUPNGNNNU-WYADAEROSA-N 464.241 7.290 50 10 JKGE CC1(C)CC([C@H](Br)c2c(Cl)cc(Br)c(F)c2Br)C1 2315439133 AAGWNTCRVBMQNL-JTQLQIEISA-N 463.410 6.876 50 10 JKGE Fc1cc([C@H](Br)c2sc(Cl)cc2I)cc(F)c1F 2316598566 DYSJTVSSGPVDMA-VIFPVBQESA-N 467.475 5.908 50 10 JKGE Cc1cc(Br)c(F)c(Br)c1[C@H](Cl)c1occc1Br 2317403405 OBCHGKPEKGATQG-JTQLQIEISA-N 461.350 6.343 50 10 JKGE Cc1ccc(CC(=O)NN=Cc2c(C(C)C)nc3c(Cl)cc(C(F)(F)F)cn23)c(C)c1 2321221289 OBVSGCYKGYYGGA-UHFFFAOYSA-N 450.892 5.440 50 10 JKGE ClCc1ccc(Br)c(Cl)c1N1CC[C@@H]2CC[C@H](C1)N2Cc1ccccc1 2328932279 LODIXHUICOCGDP-ZWKOTPCHSA-N 454.239 6.085 50 10 JKGE COc1cc2nc(C(C#N)=Cc3ccc(OCc4ccccc4C)cc3)nc(O)c2cc1OC 2331039492 IJQQWZWKFYIAPV-UHFFFAOYSA-N 453.498 5.304 50 10 JKGE N#CC(=C(O)c1ccc2c(c1)C(=O)N(Cc1ccco1)C2=O)c1nc(-c2ccc([N+](=O)[O-])cc2)cs1 2331281323 IWGXPEZJTMLOJM-UHFFFAOYSA-N 498.476 5.057 50 10 JKGE N#CC(=C(O)C(c1ccccc1)c1ccccc1)c1nc(-c2ccc3c(c2)OCCO3)cs1 2331329969 DJANKQJBIPLTTF-UHFFFAOYSA-N 452.535 6.206 50 10 JKGE CCCCOc1ccc(C=C(C#N)c2nc(-c3ccc(OC)c(OC)c3)cs2)cc1OCC 2331417301 DGIKIGFOSAACTP-UHFFFAOYSA-N 464.587 6.469 50 10 JKGE FC1(F)C[C@]12CC[C@H]([C@H](Br)c1cc(Br)ccc1OCc1ccccc1)C2 2336053928 NJUDGZUWQTURSA-RYGJVYDSSA-N 486.194 7.290 50 10 JKGE COc1c(Br)cc(C)c([C@@H](Br)[C@]2(C)CCCO2)c1Br 2339638576 CFXPSIAYWPKZKC-KGLIPLIRSA-N 457.000 5.534 50 10 JKGE Cc1cc(Br)c(F)c(Br)c1[C@H](Br)[C@@H]1[C@H]2CCCO[C@H]21 2339655849 HXFOYLADFORAST-MYMXGEOPSA-N 456.975 5.520 50 10 JKGE CC[C@H](CC(C)C)[C@H](Br)c1c(C)cc(Br)c(F)c1Br 2339679125 KLRYYUMRUWSQPK-MFKMUULPSA-N 459.035 7.167 50 10 JKGE ClCCc1cccc(NCc2ccc(I)c(Br)c2)c1 2349847067 GMDLASAMIRVMDT-UHFFFAOYSA-N 450.545 5.447 50 10 JKGE FC(F)(F)[C@H]1C[C@@H](Br)CCN1Cc1ccc(I)c(Cl)c1 2361423676 LWURXVVYEVKXSH-JOYOIKCWSA-N 482.509 5.235 50 10 JKGE COc1c(Br)cc(C)c([C@@H](Br)C[C@H](C)C(C)(C)C)c1Br 2365189102 RKDICVLQQSKXQY-QWRGUYRKSA-N 471.071 7.037 50 10 JKGE Cc1cc(Br)c(F)c(Br)c1[C@@H](Br)c1c(Cl)c(C)nn1C 2365227493 GPRHSQOLAFKYCC-SNVBAGLBSA-N 489.408 5.839 50 10 JKGE O=C(c1cc(Br)c(Cl)s1)N1CCC[C@@H](Br)[C@@H]1C(F)(F)F 2370255875 CHMJYQBXYUCIDO-SVGQVSJJSA-N 455.521 5.094 50 10 JKGE ClCC1C[C@@H]2C[C@H](C1)CN(Cc1ccc(I)c(Br)c1)C2 2377353045 NSBOQVCBICLNKQ-AGUYFDCRSA-N 468.604 5.141 50 10 JKGE C/C(=N\NC(=O)COc1ccc2cc(Br)ccc2c1Br)c1ccc(C)cc1 12491399 FFJHZCKQZSXSJB-ZVHZXABRSA-N 490.195 5.592 50 10 JKGE C[C@H]1CCC/C(=N\NC(=O)COc2ccc3cc(Br)ccc3c2Br)C1 12491415 SHXMZLMBGPRION-MLIMZQRQSA-N 468.189 5.426 50 10 JKGE CCCCCCOc1ccc(C(=O)NNC(=S)NC(=O)c2ccc(OCCC(C)C)cc2)cc1 14037322 RGWDQILVSCGGFS-UHFFFAOYSA-N 485.650 5.020 50 10 JKGE Cc1cc(NS(=O)(=O)c2ccc(N/C=C(\C#N)c3nc(-c4ccc(Cl)cc4)cs3)cc2)no1 17025678 NEMVKWXZCCEJLP-FOWTUZBSSA-N 497.989 5.537 50 10 JKGE CCCCOc1ccc(C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@@H]3c2ccc(C)cc2)cc1 38649224 ADEFUVUICDNUMI-AREMUKBSSA-N 454.526 5.611 50 10 JKGE COc1ccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4ccc(C(C)(C)C)cc4)ccc32)cc1 38650268 IBNMAGWDYCZQTG-VWLOTQADSA-N 454.526 5.430 50 10 JKGE CCc1ccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)COc4ccccc4Cl)ccc32)cc1 38677164 GMMZJYZSTRJBRS-VWLOTQADSA-N 460.917 5.105 50 10 JKGE Cc1c(C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@H]3c2c(Cl)cccc2Cl)oc2ccccc12 38700552 TXOCRVNVVRCQOJ-QFIPXVFZSA-N 491.330 6.485 50 10 JKGE Cc1ccc2c(Nc3ncnc(NNC(=O)c4ccc(Cl)cc4Cl)c3[N+](=O)[O-])cccc2n1 40658844 FJDGNIUPLFGSAS-UHFFFAOYSA-N 484.303 5.049 50 10 JKGE CCOc1ccc([C@@H](O)CCC(=O)N/N=C\c2ccc(OCc3ccc(Cl)cc3)c(OC)c2)cc1 58893985 KMDNTLDUZDFEHN-WYDFGVIMSA-N 496.991 5.290 50 10 JKGE CCOc1ccc([C@H](O)CCC(=O)N/N=C\c2cc(C)n(-c3ccc([N+](=O)[O-])c(Cl)c3)c2C)cc1 58894554 DANRIWREUUGWLR-XPQMWKTPSA-N 498.967 5.018 50 10 JKGE N#C/C(=C/c1ccc(Cl)cc1Cl)C(=O)Nc1nc2c(s1)CCN(Cc1ccccc1)C2 61710912 PLCNJWRRFNSLLQ-YVLHZVERSA-N 469.397 5.554 50 10 JKGE CCCCCCOc1ccc(/C=N\NC(=O)COc2ccc(C(C)(C)CC(C)(C)C)cc2)cc1OC 101633225 MCAZQBAZIREQGE-GTWSWNCMSA-N 496.692 6.897 50 10 JKGE CCCCCCOc1ccc(/C=C(/C#N)C(=O)Nc2ncc(Cc3ccccc3Cl)s2)cc1 102958413 AHCASFABJRBFLZ-QNGOZBTKSA-N 480.033 6.892 50 10 JKGE COc1ccc([C@H](Br)c2cc(Br)ccc2Cl)c(Br)c1 109876848 BIYULHTZQYELBA-AWEZNQCLSA-N 469.398 6.358 50 10 JKGE COc1c(C)cc(Br)c(C)c1[C@H](Cl)c1csc(I)c1 125626891 YOGCZTNGBACSHW-CYBMUJFWSA-N 471.585 6.069 50 10 JKGE Fc1ccc(C(CBr)(CBr)Cc2ccc(Br)cc2Cl)cc1 168968244 DVKFNNVWSGIWGB-UHFFFAOYSA-N 499.443 6.512 50 10 JKGE C[C@@H](C(=O)Nc1nc(CCl)cs1)N1C(=O)c2c(Cl)c(Cl)c(Cl)c(Cl)c2C1=O 170535176 SOYJYLCPBPXWQW-BYPYZUCNSA-N 487.579 5.119 50 10 JKGE N#C/C(=C/c1ccc(-c2ccc(F)cc2)o1)C(=O)Nc1cc(C(F)(F)F)cc(C(F)(F)F)c1 209395784 JYTJYHLDCGZXBE-QPEQYQDCSA-N 468.328 6.669 50 10 JKGE FC(F)(F)c1cc(Oc2cccc(I)c2)ccc1CBr 218204589 XHJXFDPCPVHNOV-UHFFFAOYSA-N 457.027 5.997 50 10 JKGE Fc1cc(Br)cc([C@H](Br)c2cc(Br)c(Cl)s2)c1 227848463 HBJLDEDVTISPER-JTQLQIEISA-N 463.391 6.550 50 10 JKGE COc1ccc([C@H](Cl)c2cc(I)ccc2Br)cc1OC 234994769 BMCUAMBKWGXXGI-HNNXBMFYSA-N 467.528 5.399 50 10 JKGE Cl[C@H](Cc1cccc(Br)c1)c1ccc(Br)cc1Br 236029601 ZTRKWPPKXGJHRG-CQSZACIVSA-N 453.399 6.497 50 10 JKGE Fc1cc(Br)ccc1COc1c(Br)cc(CCl)cc1Br 236142682 HOYMEWMBLFYMHY-UHFFFAOYSA-N 487.388 6.431 50 10 JKGE O=C(NN=CC1=C(N2CCOCC2)/C(=C\c2ccc(Cl)cc2)CC1)Oc1ccc2ccccc2c1 252511559 HYPLOMFIBVMZRQ-RCNGHAPXSA-N 487.987 6.031 50 10 JKGE COc1ccc(C=NNC(=O)c2cc(-c3ccc(C(C)C)cc3)nc3ccccc23)cc1COC(C)=O 252629397 UEZYUUZWXOJHCN-UHFFFAOYSA-N 495.579 5.861 50 10 JKGE O=C1OC(=O)[C@@H]2[C@H]3C[C@@H]([C@@H]4Sc5[nH]c(=S)sc5[C@H](c5cccc(Cl)c5Cl)[C@H]43)[C@H]12 256026503 ORWDSNAGWAIDQX-GDAHPFFYSA-N 470.424 5.300 50 10 JKGE BrCc1c(Br)cccc1N1C[C@@H]2CN(Cc3ccccc3)CC[C@H]2C1 394701329 IWGCTLLDUZABJN-ROUUACIJSA-N 464.245 5.302 50 10 JKGE Brc1ccc(Br)c([C@H](Br)c2csc3c2CCCC3)c1 399909918 FPQVGDZCPHKEIG-HNNXBMFYSA-N 465.048 6.636 50 10 JKGE CC(C)(C)[Si](C)(C)OCCc1ccccc1[C@H]1COCCN1S(=O)(=O)c1ccccc1 616642233 VMKUXUGRQUNCDI-HSZRJFAPSA-N 461.700 5.013 50 10 JKGE Cc1oc(Br)cc1[C@@H](Br)c1cc(Br)c2c(c1)CCCO2 689553470 MNGWRVWXAXKHPR-AWEZNQCLSA-N 464.979 5.922 50 10 JKGE Fc1ccc([C@@H](Br)c2cccc(Br)c2F)c(F)c1Br 691636214 PUUMOGVGBKKAPY-JTQLQIEISA-N 458.897 6.113 50 10 JKGE CCOc1ccc([C@@H](O)CCC(=O)NN=Cc2cc(C)n(-c3ccc(Br)cc3)c2C)cc1 1084166242 OVYBAEAYSMDKJD-DEOSSOPVSA-N 498.421 5.219 50 10 JKGE Cc1cc(C=NNC(=O)[C@H](C)Sc2ccc(Cl)cc2)c(C)n1-c1ccc(Br)cc1 1084169180 WSKIGTWFKBRAPX-INIZCTEOSA-N 490.854 6.141 50 10 JKGE COc1cc(/C=C(\C#N)c2ccc([N+](=O)[O-])cc2)cc(Br)c1OCc1ccc(F)cc1 1084490230 GPICXFSRYXMOLG-VCHYOVAHSA-N 483.293 6.148 50 10 JKGE COc1ccccc1/C(C#N)=C/c1ccc(OC(=O)c2cc(C(F)(F)F)cc(C(F)(F)F)c2)cc1 1615099343 IBTMCTMFQOUKOT-LICLKQGHSA-N 491.387 7.016 50 10 JKGE COc1ccc(C(=O)NN=C2CCCc3oc(C(=O)Oc4ccc(Cl)cc4Cl)c(C)c32)cc1 1772745686 HVPYVYROBREVEA-UHFFFAOYSA-N 487.339 5.593 50 10 JKGE N#CC1=C(N)Oc2c(c(-c3ccccc3)nn2-c2ccc(Cl)c(Cl)c2)[C@@H]1c1ccc(O)c(O)c1 1865680639 QQAQYHOPGPJUNZ-OAQYLSRUSA-N 491.334 5.475 50 10 JKGE CCOc1cc([C@H]2C(C#N)=C(N)Oc3c2c(C)nn3CC(C)C)ccc1OCc1ccc(C)cc1 1865688141 KHVCNJUAOUVHPJ-SANMLTNESA-N 472.589 5.352 50 10 JKGE CCCCCOc1ccc([C@@H]2C(C#N)=C(N)Oc3c2c(C)nn3Cc2cccc(Cl)c2)cc1 1865690335 OUIZTIGTWOLVEB-XMMPIXPASA-N 462.981 5.680 50 10 JKGE CCCCCOc1ccc([C@H]2C(C#N)=C(N)Oc3c2c(-c2ccccc2)nn3CC(C)C)cc1 1865690694 YXGGSCRYRYRUFT-DEOSSOPVSA-N 456.590 5.993 50 10 JKGE CCCCCOc1ccc([C@@H]2C(C#N)=C(N)Oc3c2c(C)nn3-c2ccccc2Cl)cc1OC 1865694899 FDTJSRHDXLBBLE-XMMPIXPASA-N 478.980 5.630 50 10 JKGE CCCc1nn(-c2ccc(Cl)c(Cl)c2)c2c1[C@@H](c1ccc(F)cc1F)C(C#N)=C(N)O2 1865702024 KVWLTFAWOOHOHV-IBGZPJMESA-N 461.299 5.628 50 10 JKGE N#CC1=C(N)Oc2c(c(-c3ccccc3)nn2-c2ccc(Cl)c(Cl)c2)[C@@H]1c1cccc(F)c1 1865710841 JRWSVSDZAWHCKF-OAQYLSRUSA-N 477.326 6.203 50 10 JKGE CCCC[C@H](NC(=O)C[C@H](c1ccccc1)c1cccc(F)c1)C(=O)Nc1ccc(SC#N)cc1 1866774765 CXZYCNOJMVPIFD-FTJBHMTQSA-N 489.616 6.235 50 10 JKGE CCc1nc(Nc2ccc(SC#N)cc2)cc(N2[C@H](Cc3ccccc3)COCC2(C)C)n1 1868278020 PLUSYOBVCZKQAQ-OAQYLSRUSA-N 459.619 5.582 50 10 JKGE COc1cc(/C=C(\C#N)c2nc3ccccc3[nH]2)ccc1OC(=O)c1ccc(Cl)cc1Cl 1872726812 NCICFQXUVRPPQQ-XNTDXEJSSA-N 464.308 6.162 50 10 JKGE COC(=O)c1ccccc1N1C[C@H](/C(O)=C(\C#N)c2nc(-c3ccc4c(c3)CCCC4)cs2)CC1=O 1872745043 AICWANMKDNHEAS-NTKFOSSBSA-N 499.592 5.321 50 10 JKGE CCc1cccc(CC)c1N1C[C@@H](/C(O)=C(\C#N)c2nc(-c3ccccc3OC)cs2)CC1=O 1872747235 UBRJFXZTMQTVHL-KOAPHTDDSA-N 473.598 5.789 50 10 JKGE Cc1ccc(-c2csc(/C(C#N)=C(O)/C=C/c3ccc(OCc4ccccc4)cc3)n2)cc1 1872749346 MYGUFLPWPGCBPG-SODZUVOVSA-N 450.563 7.204 50 10 JKGE N#C/C(=C(/O)c1ccccc1C(=O)c1ccccc1)c1nc(-c2ccc3c(c2)OCCO3)cs1 1872751277 ZRYJDONMDYCSGS-QLYXXIJNSA-N 466.518 5.762 50 10 JKGE COc1ccc(C(C)(C)C)cc1-c1csc(/C(C#N)=C(\O)COc2c(C)ccc(C)c2C)n1 1872751657 RBVAVXWZJPSFTB-LNVKXUELSA-N 462.615 6.913 50 10 JKGE COc1ccc(-c2csc(/C(C#N)=C(\O)CCCOc3ccc(C(C)(C)C)cc3)n2)c(C)c1C 1872753899 SRENZAVSTYAQCO-BZZOAKBMSA-N 476.642 7.385 50 10 JKGE COc1ccccc1OC/C(O)=C(\C#N)c1nc(-c2cc(Cl)cc(Cl)c2OC)cs1 1872754301 MCSKECUPACDMPK-VKAVYKQESA-N 463.342 6.006 50 10 JKGE CCOc1ccc(OCC)c(-c2csc(/C(C#N)=C(\O)CCCOc3ccc(CC)cc3)n2)c1 1872754784 IYBPMBOSKLLUOS-BZZOAKBMSA-N 478.614 6.822 50 10 JKGE COc1ccc(OC)c(/C=C/C(O)=C(\C#N)c2nc(-c3cc(Cl)ccc3OC)cs2)c1 1872758513 DRTUVKUBHBFSSL-LWRQOURBSA-N 454.935 5.995 50 10 JKGE COc1cc(/C=C(\C#N)c2nc(-c3cc(C)ccc3C)cs2)ccc1OCCCc1ccccc1 1872790789 FFVBZENLWCSOBF-KOEQRZSOSA-N 480.633 7.511 50 10 JKGE FC1(F)CC[C@@H](Cc2ccc(Br)cc2Br)[C@H](Br)CC1 1881848555 DPQUKXUHMXHKCN-CMPLNLGQSA-N 460.982 6.343 50 10 JKGE Cl[C@H](c1cc(Br)ccc1OCc1ccccc1)c1csnc1Br 1899863487 FGZWDIUISMVTSQ-MRXNPFEDSA-N 473.617 6.575 50 10 JKGE BrCc1ccc(Br)cc1N1C[C@@H]2CCN(Cc3ccccc3)[C@@H]2C1 1909110526 YSMBJDIFJMQKGU-FXAWDEMLSA-N 450.218 5.055 50 10 JKGE Brc1cc([C@H](Br)c2cc(Br)c(Br)s2)ns1 1909863207 HEXHKMNQBKMPFG-ZETCQYMHSA-N 496.869 5.976 50 10 JKGE Clc1ccc(I)c(C[C@@H]2CCCCCCCC[C@@H]2Br)c1 1913396011 PXGJVBBKWPDCTA-BBRMVZONSA-N 469.632 7.001 50 10 JKGE Cc1c(Br)sc([C@H](Cl)c2nn(C)c(Cl)c2Cl)c1Br 1922920115 CSMWHQATEHKUSC-RXMQYKEDSA-N 453.414 5.950 50 10 JKGE Cl[C@H](c1c(Br)sc(Br)c1Br)C1C[C@H]2CC[C@H](C1)C2 1924572479 YXKWEGLRQUKTOL-HFJPGXAFSA-N 477.487 7.142 50 10 JKGE CCC(CC)[C@@H](Br)c1c(Br)sc(Br)c1Br 1924575957 HWFHIYBSASLCKZ-SSDOTTSWSA-N 483.889 6.908 50 10 JKGE Cc1csc([C@@H](Cl)c2c(Br)sc(Br)c2Br)c1Cl 1924584420 XSJKNYCQVQNUDN-ZETCQYMHSA-N 499.902 7.387 50 10 JKGE CCc1ccc([C@H](Cl)c2c(Br)sc(Br)c2Br)cc1 1924585872 RKBMNFSVOIDBHC-NSHDSACASA-N 473.455 6.926 50 10 JKGE Clc1ccc(Cl)c([C@H](Br)c2c(Cl)sc(Br)c2Cl)c1 1925586619 BEJZZVVWKJRGPH-QMMMGPOBSA-N 469.840 7.609 50 10 JKGE Clc1sc(Br)c(Cl)c1[C@H](Br)[C@@H]1COc2ccccc2O1 1925597404 DPACGFVCBXOEFR-WCBMZHEXSA-N 458.986 6.093 50 10 JKGE Cc1cc(Br)c([C@@H](Cl)c2cccc(Br)c2Br)s1 1943904585 ZBQARJDPPKQBCT-NSHDSACASA-N 459.428 6.672 50 10 JKGE FC1(F)[C@@H]2[C@@H]([C@@H](Br)c3cc(Br)sc3Br)CC[C@H]21 1996484979 ONAXIUOWGUDYGB-WGDRPHDWSA-N 450.968 6.000 50 10 JKGE CN(c1cc(Br)cc(F)c1CBr)[C@H]1CCN(Cc2ccccc2)C1 2004046165 URJKRBYUXOIYQC-INIZCTEOSA-N 456.197 5.194 50 10 JKGE C[C@@H](NCCSSCCNC(=O)OC(C)(C)C)c1ccc(OCc2ccccc2)cc1 2010827140 MPJBDNYHHVTQII-LJQANCHMSA-N 462.681 5.822 50 10 JKGE Cc1c(Br)sc([C@@H](Br)C2CC(C(F)(F)F)C2)c1Br 2037020471 KPFJHDWLULDOOK-QIECLKSESA-N 470.974 6.606 50 10 JKGE COc1cc(C=C(C#N)c2nc3ccccc3s2)ccc1OCC(=O)c1cc(C)c(C)cc1C 2042446069 QCCDFZPQALSHQF-UHFFFAOYSA-N 468.578 6.556 50 10 JKGE COc1ccc([C@H](Br)c2nc(C)sc2Br)c(Br)c1 2050330592 FFOPUFWRTYWCNL-JTQLQIEISA-N 455.997 5.469 50 10 JKGE Cc1nc([C@H](Br)c2cc(C3CC3)c(Br)s2)c(Br)s1 2050335472 QZRYOOKECWQWJF-SECBINFHSA-N 472.065 6.400 50 10 JKGE Cc1c(Br)sc([C@H](Br)C[C@@H]2CCC[C@H]3C[C@@H]32)c1Br 2057347872 YJXSWYAPEMCTTM-XWLWVQCSSA-N 457.069 6.844 50 10 JKGE CCN(C[C@](C)(CI)OC1CC(CC(C)(C)C)C1)C(=O)OC(C)(C)C 2068027249 JQTQQKFMGHYECT-PMTKGXAQSA-N 467.432 5.669 50 10 JKGE COc1ccc([C@H](Br)c2cscc2OCc2ccccc2)c(Cl)c1Cl 2083139691 XMXFJIDELYILOT-KRWDZBQOSA-N 458.204 7.127 50 10 JKGE CC(C)Oc1ccc([C@@H](Br)c2csc(Br)c2Br)cc1 2093942692 YHSMZMYRKHZODX-GFCCVEGCSA-N 469.036 6.545 50 10 JKGE Brc1ccc(CN2C[C@@H](Br)CC3(CCC3)C2)c(Br)c1 2094996656 HVDZOLPRWSBFMF-ZDUSSCGKSA-N 452.028 5.351 50 10 JKGE CC(C)(CBr)[C@@H]1CCCN1C(=O)c1cc(Br)sc1Br 2099631561 UMYHDXPNWSYTNE-VIFPVBQESA-N 474.056 5.299 50 10 JKGE N#C/C(=C\c1ccccc1)c1cc(/C(C#N)=C/c2ccccc2)cc(/C(C#N)=C/c2ccccc2)c1 2112275692 GSBDGQJPHFHFTN-HZAPWMNRSA-N 459.552 7.879 50 10 JKGE CCC[C@@H](Cl)c1cn(-c2c(Br)cc(Br)cc2Br)nn1 2121069984 HSJSQLSNKLQUAM-SNVBAGLBSA-N 472.406 5.635 50 10 JKGE CC(C)(C)[C@@H]1[C@@H](Br)CCN1C(=O)c1cc(Br)c(Br)s1 2128680416 RUMWPISDLAPWIN-XVKPBYJWSA-N 474.056 5.297 50 10 JKGE Cc1c(Br)ccc([C@H](Br)[C@@H]2C[C@@H]3C[C@@H]3C[C@@H]2C)c1Br 2138863557 MIIPKSPVNBTJRO-VHTGOLOWSA-N 451.040 6.638 50 10 JKGE Br[C@@H](c1cc(I)sn1)c1ccc(-c2ccccc2)s1 2141218225 MQQNZDROPQFIBA-AWEZNQCLSA-N 462.175 5.961 50 10 JKGE Fc1cc(Cl)c([C@@H](Cl)c2ccc(Br)cc2I)cc1Cl 2142279329 OTVJREZOTPBJOX-ZDUSSCGKSA-N 494.356 6.828 50 10 JKGE Clc1ccc(C[C@@H](CBr)Cc2ccc(Br)cc2)c(Br)c1 2144776667 MGIBUNPAHDMHJN-LBPRGKRZSA-N 481.453 6.661 50 10 JKGE FC(F)(F)[C@@H]1CCc2c3c(cc(I)c2[C@H](Br)C1)CCO3 2146435312 JUSZRLPPGQOEBQ-PSASIEDQSA-N 461.059 5.177 50 10 JKGE BrCc1cc(Br)cc(Br)c1OC[C@@]12CCC[C@H]1CCO2 2152940799 DWEYCEVMOVMKFW-NHYWBVRUSA-N 469.011 5.445 50 10 JKGE Cc1csc(CN(C)c2c(CCl)ccc(Br)c2Cl)c1Br 2157019334 WDALRNWREQYOEZ-UHFFFAOYSA-N 458.046 6.610 50 10 JKGE C[C@H](Cl)c1nc2cc(I)ccc2n1[C@H]1CCCCN(Cc2ccccc2)C1 2158570667 FPJGIKAHIPRFGQ-LPHOPBHVSA-N 493.820 6.168 50 10 JKGE FC1(F)CCC2(CC1)C[C@H]2[C@@H](Br)c1c(Cl)sc(Br)c1Cl 2163396706 RICSZAZLCZFRSB-POYBYMJQSA-N 469.016 7.469 50 10 JKGE ClC[C@@H](Cc1cccc(Br)c1)Cc1cc(Br)ccc1Br 2175146680 GXVACDLEACGIQQ-LBPRGKRZSA-N 481.453 6.614 50 10 JKGE CC[C@H](CC(F)(F)F)[C@H](Br)c1c(C)c(Br)cc(C)c1Br 2201061793 IHNSRQBTNRTRCD-RNCFNFMXSA-N 480.988 7.243 50 10 JKGE Clc1cc(CN2CCC[C@]3(CBr)CCC[C@H]23)ccc1I 2208035236 CUGUERTUXCHGIL-HOTGVXAUSA-N 468.604 5.474 50 10 JKGE C[C@@H]1CCC[C@@H]([C@@H](Br)c2c(Br)sc(Br)c2Cl)O1 2214323092 DWQTURCLNGORFX-GKROBHDKSA-N 467.448 6.320 50 10 JKGE Cc1sc(C[C@@H](Br)c2ccccc2Br)c(C)c1Br 2218930838 HIVWHOUHUWRDAU-GFCCVEGCSA-N 453.037 6.569 50 10 JKGE Cc1cc(Br)sc1[C@H](Br)c1cc(C)c(Br)c(C)c1 2220198535 KMTRLIWZVYDIRT-CYBMUJFWSA-N 453.037 6.683 50 10 JKGE Cc1sc([C@H](Br)c2cc(F)c(Br)cc2F)c(C)c1Br 2226085476 BFZOMJHMLAWFGQ-GFCCVEGCSA-N 474.990 6.652 50 10 JKGE Cc1cc(Br)c([C@H](Br)[C@H]2COC(C)(C)C2)c(C)c1Br 2227350699 YBMHIIFVXMFTOI-QMTHXVAHSA-N 455.028 6.080 50 10 JKGE Cc1cc(Br)c([C@H](Br)CCCC(F)(F)F)c(C)c1Br 2227360384 ROQWDRVDWGTHAF-SECBINFHSA-N 466.961 6.997 50 10 JKGE CCCCCCCCCCOC1(CI)CCN(C(=O)OC(C)(C)C)CC1 2231038834 YLPGPPYBPYZTTD-UHFFFAOYSA-N 481.459 6.348 50 10 JKGE CC(C)c1ccccc1[C@@H](Br)c1cc(Br)c(Br)cc1F 2233993384 YXPRFGPXHKLHCO-MRXNPFEDSA-N 464.998 6.958 50 10 JKGE COc1cc(Br)c([C@@H](Br)c2cc(Br)ccc2C)cc1C 2236006258 CEIJIJRSOHNCAH-INIZCTEOSA-N 463.007 6.321 50 10 JKGE O=[N+]([O-])c1ccc(C[C@H](Br)c2ccc(I)cc2)c(F)c1 2237447209 YCPRDHOJYUSCAF-ZDUSSCGKSA-N 450.045 5.017 50 10 JKGE Cc1sc([C@@H](Cl)c2cc(I)cc3c2OCC3)c(Br)c1C 2237630609 XZHCOPHEBMPARL-ZDUSSCGKSA-N 483.596 5.995 50 10 JKGE Cc1ccc(I)c([C@@H](Cl)c2csc3c(Br)cccc23)c1 2240994682 BFFAXPBFVSWBCI-OAHLLOKOSA-N 477.592 6.905 50 10 JKGE CCc1cc(Br)c([C@@H](Cl)c2c(F)cccc2I)s1 2255964884 HBKHUEIMZLTUIZ-LBPRGKRZSA-N 459.549 6.145 50 10 JKGE Brc1cc([C@@H](Br)c2ccc(C3CCC3)s2)c(Br)s1 2259355621 CHUDOTVRKJDNOS-GFCCVEGCSA-N 471.077 7.086 50 10 JKGE CC(F)(F)CCC[C@@H](Br)c1c(F)cc(Br)c(F)c1Br 2272846782 KJUYLAIMMJADSE-ZCFIWIBFSA-N 470.924 6.751 50 10 JKGE FC(F)(F)CC1([C@H](Br)Cc2cc(Br)cc(Br)c2)CC1 2277946176 BHGFXLKJGUMNLL-LLVKDONJSA-N 464.945 6.250 50 10 JKGE CC(C)(C)C1CC([C@H](Br)Cc2cc(Br)cc(Br)c2)C1 2277967110 XUIZWEAJNPDOFX-KOHJWAIASA-N 453.056 6.590 50 10 JKGE Fc1ccc([C@H](CI)OCc2ccc(Br)cc2F)cc1 2281372710 NFVIQANQKZBKHC-HNNXBMFYSA-N 453.064 5.420 50 10 JKGE COc1c(C)cc(Br)cc1[C@H](Br)c1cccc(Cl)c1Br 2283192454 XUABHHQDPWRJFB-CYBMUJFWSA-N 483.425 6.666 50 10 JKGE Fc1cc(Br)c(F)c(Br)c1[C@@H](Br)[C@@H]1Cc2ccccc21 2288362775 JQIVZKATYHAREC-RNCFNFMXSA-N 466.945 6.266 50 10 JKGE Cc1ccc(Cc2cnc(NC(=O)C(C#N)=Cc3ccc(Cl)cc3Cl)s2)cc1Cl 2293038782 ZGMFRAQSMORCSW-UHFFFAOYSA-N 462.789 6.548 50 10 JKGE CCOC(=O)c1ccc(NC(=O)C(C#N)=Cc2ccc(-c3cccc(Cl)c3Cl)o2)cc1 2293345729 PNCWQKQNCAIXQE-UHFFFAOYSA-N 455.297 5.976 50 10 JKGE N#CC(=Cc1ccc(OCc2ccc(Br)cc2)cc1)C(=O)NCc1cccs1 2294581479 CEFJCMABTJCGFH-UHFFFAOYSA-N 453.361 5.313 50 10 JKGE Cc1ccc(C[C@H]2SC(=C(C#N)C(=O)NCCc3ccccc3)N(c3ccc(C)cc3)C2=O)cc1 2296835055 SRLFGLWZMUBVLV-AREMUKBSSA-N 481.621 5.089 50 10 JKGE Brc1cc(OCc2ccccc2)ccc1[C@H](Br)C1COCCOC1 2299493226 KPXVBQNSZLNRBB-LJQANCHMSA-N 456.174 5.127 50 10 JKGE N[C@@H](c1c(Cl)cc(Br)c(F)c1Br)[C@H]1C[C@H](Br)C1 2300182521 GUNCYNDKNGTRPW-RDSNPXOSSA-N 450.371 5.177 50 10 JKGE CCOc1cc(C=C(C#N)C(=O)Nc2ccc(C)cc2)cc(Cl)c1OCc1ccc2ccccc2c1 2313568435 SGFHMGXBUVKFAL-UHFFFAOYSA-N 496.994 7.325 50 10 JKGE CCOc1cc(C=C(C#N)C(=O)Nc2ccc(C)cc2)cc(Cl)c1OCc1ccc([N+](=O)[O-])cc1 2313568726 WMSLCRPJJZZMRR-UHFFFAOYSA-N 491.931 6.080 50 10 JKGE COc1cc(C=C(C#N)C(=O)Nc2cccc(Cl)c2Cl)ccc1OCc1ccc(C)cc1 2313570878 IIGWFPGSQQHPEQ-UHFFFAOYSA-N 467.352 6.435 50 10 JKGE N#CC(=Cc1ccc(OCc2ccccc2Cl)cc1)C(=O)Nc1cc(Cl)ccc1Cl 2313630593 CIIMEWZIHXVFEN-UHFFFAOYSA-N 457.744 6.771 50 10 JKGE COc1cccc(C=C(C#N)C(=O)Nc2cc(Cl)ccc2Cl)c1OCc1cccc(Cl)c1 2313631318 NVBTUZIVYKXADA-UHFFFAOYSA-N 487.770 6.780 50 10 JKGE CCOc1ccc(NC(=O)C(C#N)=Cc2cc(Cl)ccc2OCc2ccccc2F)cc1 2313671287 YTMIPRZWARINAX-UHFFFAOYSA-N 450.897 6.002 50 10 JKGE Cc1ccc(NC(=O)C(C#N)=Cc2ccc(OCc3ccc(Cl)cc3Cl)cc2)cc1C 2313738802 QDAHLPCJEHSXFM-UHFFFAOYSA-N 451.353 6.735 50 10 JKGE FC1(F)CCCC[C@H]1[C@H](Br)c1cc(Br)ccc1OCc1ccccc1 2314447745 BKDVWTYFEPCNCZ-PKOBYXMFSA-N 474.183 7.290 50 10 JKGE CCC[C@@H](CC(C)C)[C@@H](Br)c1ccc(OCc2ccccc2)cc1Br 2314451930 ITILMDACZZIXAL-PGRDOPGGSA-N 468.273 7.927 50 10 JKGE CCOC(=O)c1c(NC(=O)C(C#N)=Cc2ccc(OC)c(OC)c2)sc2c1CC[C@H](CC)C2 2314571533 GTIXVUIUSPBUNM-HNNXBMFYSA-N 468.575 5.003 50 10 JKGE CCc1ccc(N2C(=O)[C@H](Cc3cccc(C)c3)SC2=C(C#N)C(=O)Nc2ccc(C)cc2)cc1 2314592225 OGCKRTKKSUFPJK-SANMLTNESA-N 481.621 5.931 50 10 JKGE Cc1ccc(C=CC(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@@H]3c2ccc(C(C)C)cc2)cc1 2314634269 UHOPRBSVPIRZSG-MUUNZHRXSA-N 450.538 5.955 50 10 JKGE CCCOc1ccccc1[C@H]1C(C#N)=C(N)Oc2cc(OC(=O)C=Cc3ccccc3)ccc21 2314634403 MZDZARALMLSJBM-HHHXNRCGSA-N 452.510 5.312 50 10 JKGE C=CCOc1ccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)C=Cc4ccc(Cl)cc4)ccc32)cc1 2314634508 BVQAQRIPJMUEFN-MHZLTWQESA-N 484.939 5.742 50 10 JKGE C[C@@H](C1CCC1)[C@@H](Br)c1c(Cl)cc(Br)c(F)c1Br 2315439245 BUKCZNIPCUKCDV-UPONEAKYSA-N 463.410 6.876 50 10 JKGE Cn1ncc2cc([C@@H](Br)c3sc(Cl)cc3I)sc21 2316766614 HXSHGWZTTLXDEL-SECBINFHSA-N 473.586 5.439 50 10 JKGE COC(=O)c1c(NC(=O)C(C#N)=Cc2cccc(F)c2)sc(C)c1-c1ccc(Br)cc1 2329674055 GHAUSDMTTCIXHE-UHFFFAOYSA-N 499.361 5.957 50 10 JKGE C[C@H](c1ccccc1)N1C[C@H](C(O)=C(C#N)c2nc(-c3cccc([N+](=O)[O-])c3)cs2)CC1=O 2331232894 WSDNGXLMYUEDNL-CRAIPNDOSA-N 460.515 5.121 50 10 JKGE COc1cc(C)c(-c2csc(C(C#N)=C(O)CCN3C(=O)c4ccccc4C3=O)n2)cc1C(C)C 2331353884 ICWANIULERSUPL-UHFFFAOYSA-N 487.581 5.730 50 10 JKGE COc1cc(C)c(-c2csc(C(C#N)=C(O)c3ccccc3Br)n2)cc1C(C)C 2331353887 IMEGWFVDAKSVRL-UHFFFAOYSA-N 469.404 6.963 50 10 JKGE CCOc1ccc(-c2csc(C(C#N)=C(O)C=Cc3ccc(Cl)cc3Cl)n2)c(OCC)c1 2331386555 MJWQKWXYOLVXCS-UHFFFAOYSA-N 487.408 7.420 50 10 JKGE COc1ccc(OCCCC(O)=C(C#N)c2nc(-c3ccc(OC)c4ccccc34)cs2)cc1 2331406528 WJCRZZRHWSODGE-UHFFFAOYSA-N 472.566 6.632 50 10 JKGE CCCCCCOc1ccc(C(O)=C(C#N)c2nc(-c3ccc(OC)c(OC)c3OC)cs2)cc1 2331412588 MXKHABONMHOTIZ-UHFFFAOYSA-N 494.613 6.745 50 10 JKGE FC1(F)CCCCC[C@@H]1[C@H](Br)c1cc(Br)ccc1OCc1ccccc1 2336084092 QBRBXTJIJUAKDB-UYAOXDASSA-N 488.210 7.680 50 10 JKGE CC[C@@](C)(C(F)F)[C@H](Br)c1c(Br)cc(C)c(Br)c1C 2336618124 ICZBKTIIOCSMGZ-TZMCWYRMSA-N 462.998 6.946 50 10 JKGE CCCCCCCCCC[C@H](Br)c1sc(Cl)cc1I 2338566451 NBVASBHKYFDBIA-LBPRGKRZSA-N 477.677 7.973 50 10 JKGE Clc1cc(I)c([C@H](Br)C2C3CC4CC(C3)CC2C4)s1 2338772676 GPLXQIPKGVNTEP-HUMXCFBVSA-N 471.629 6.514 50 10 JKGE CN(CC[C@@H](Cl)c1cccs1)c1ncc(I)cc1Br 2340619853 SOFZTKIQJTUZTD-LLVKDONJSA-N 471.589 5.317 50 10 JKGE CC(C)(C)[C@H]1[C@@H](Br)CCN1Cc1cc(I)ccc1Cl 2352414589 VUZSQCCIOWSWQU-GXTWGEPZSA-N 456.593 5.329 50 10 JKGE Fc1cc(Br)c(Br)cc1[C@@H](Br)[C@@H]1C[C@H]2CCC[C@H]1CC2 2364091766 HMJNACGMURCLJI-DJQAVVSRSA-N 469.030 7.003 50 10 JKGE COc1c(Br)cc(C)c([C@H](Br)C[C@]23CCC[C@H]2C3)c1Br 2365192505 CMOYGTGIBBBETF-KANYHAFZSA-N 467.039 6.545 50 10 JKGE CC[C@@H]1CC[C@H]([C@@H](Br)c2c(C)cc(Br)c(OC)c2Br)O1 2365196556 NJSHIMDXCNCIBO-IRUJWGPZSA-N 471.027 5.922 50 10 JKGE CCOc1ccc([C@@H](Cl)c2ccc(Br)cc2I)c(F)c1 2367479916 GIQHFOBMLOQDQD-OAHLLOKOSA-N 469.519 5.920 50 10 JKGE Clc1ccc(CN2C[C@H]3CC(CBr)C[C@@H](C3)C2)cc1I 2368395201 TYTNMJHYZVBVCG-KBPBESRZSA-N 468.604 5.188 50 10 JKGE CC(C)(C)OC(=O)NC[C@@]1(C(F)(F)F)CCCN1C[C@](C)(CBr)C(C)(C)C 2380169451 SVDYZQRAFFKMIZ-ZWKOTPCHSA-N 459.391 5.355 50 10 JKGE O=C(COc1cc(Cl)ccc1Cl)N/N=C/c1ccc(-c2cccc(Br)c2)o1 2056776 MOKCRUBHTQWGEE-AUEPDCJTSA-N 468.134 5.545 50 10 JKGE CCSc1ccsc1[C@@H]1C(C#N)=C(N)N(c2cccnc2)C2=C1C(=O)C[C@H](c1ccccc1)C2 9981725 LRVRQYLSLHVDOF-HOYKHHGWSA-N 484.650 5.954 50 10 JKGE CCc1sc2ncnc(Nc3ccc(SC#N)cc3)c2c1-c1ccc(Br)cc1 32549570 PTXBFFWWTJUCAB-UHFFFAOYSA-N 467.417 7.000 50 10 JKGE COc1ccc(-c2nn(-c3ccccc3)cc2/C=C(/C#N)c2nc(-c3ccc(Cl)cc3)cs2)cc1 34379847 FTALEGVZDXFGCA-QNGOZBTKSA-N 495.007 7.389 50 10 JKGE COc1ccc(-c2nc(Cn3cccc3CN(Cc3ccccc3)C(=O)CCl)cs2)cc1 34924046 IURXHIBEUIYISP-UHFFFAOYSA-N 466.006 5.436 50 10 JKGE CCCOc1cccc(-c2nn(-c3ccccc3)cc2/C=C(/C#N)S(=O)(=O)c2ccc(C)cc2)c1 35446661 ICJVPGXVSLLQIU-IMRQLAEWSA-N 483.593 5.975 50 10 JKGE CC(C)(C)c1ccc(OCC(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@H]3c2cccc([N+](=O)[O-])c2)cc1 38653987 BTLQNHXUXRATIO-SANMLTNESA-N 499.523 5.095 50 10 JKGE CC(C)c1ccc(O[C@@H](C)C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@H]3c2cccc([N+](=O)[O-])c2)cc1 38654177 IOUBGIXQSCVUJJ-QLXKLKPCSA-N 499.523 5.309 50 10 JKGE Cc1cccc(C)c1OCC(=O)Oc1ccc2c(c1)OC(N)=C(C#N)[C@H]2c1ccc(Cl)cc1Cl 38655369 ZLKNJUPYWFIBIV-DEOSSOPVSA-N 495.362 5.813 50 10 JKGE O=C(CCCc1c(-c2ccc3ccccc3n2)[nH]c2ccc(F)cc12)NNC(=O)c1ccc(F)cc1 39867627 MCUAHNPLZGLBID-UHFFFAOYSA-N 484.506 5.445 50 10 JKGE CC(C)(C)c1ccccc1OCC(=O)N/N=C1\C(=O)N(Cc2ccc(Cl)cc2)c2ccccc21 40846371 DVMXNZOLQAWMQC-JVCXMKTPSA-N 475.976 5.084 50 10 JKGE C=CCc1cc(/C=N\NC(=O)CC[C@H](O)c2ccc(OCC)cc2)ccc1OCc1ccc(F)cc1 58895096 YNBHJZSTPOTKCG-XTYFKDDUSA-N 490.575 5.496 50 10 JKGE Fc1cc(Br)c(Cl)cc1[C@H](Br)Cc1ccc(Br)cc1 97895988 QCUFJWKAFJWZJL-LLVKDONJSA-N 471.389 6.683 50 10 JKGE CCCCCCN1C(=O)C(C#N)=C(C)/C(=C\c2cn(-c3ccccc3)nc2-c2ccccc2)C1=O 101333463 MPJOCMGRWOVHFS-XIEYBQDHSA-N 464.569 5.712 50 10 JKGE CCCCCCOC(=O)c1ccccc1N/C=C(/C#N)c1nc(-c2ccc3c(c2)OCO3)cs1 102416228 IVFHZYMSTRKFGM-CYVLTUHYSA-N 475.570 6.252 50 10 JKGE Cl[C@H](Cc1cccc(Br)c1)c1cc(Br)c(Br)s1 128098967 OOODJBRIODSGND-SNVBAGLBSA-N 459.428 6.558 50 10 JKGE Cl[C@H](c1ccc(I)cc1)c1cc(Br)c(Br)s1 128160262 ONDRQFZDAUAOIM-SNVBAGLBSA-N 492.401 6.206 50 10 JKGE C[C@@H]1CCCC[C@@H]1NC(=O)[C@H](c1ccccc1Cl)N(CCc1ccc(Cl)cc1)C(=O)CCl 230275223 XOERSLACUGJVJE-UWSIMGETSA-N 495.878 6.040 50 10 JKGE COc1cc(F)c([C@H](Cl)c2cc(I)ccc2Br)c(F)c1 235004491 DAPOBHSUJMWDOC-CQSZACIVSA-N 473.482 5.669 50 10 JKGE Clc1cc(Br)cc([C@@H](Br)Cc2ccc(Br)cc2)c1 236067581 HIPOYXZYYJCUSG-AWEZNQCLSA-N 453.399 6.544 50 10 JKGE Cc1cccc(C(=O)Oc2ccc(C=NNC(=O)CSc3nc4ccccc4s3)cc2)c1 254313412 YOIFFPRUBXFQDW-UHFFFAOYSA-N 461.568 5.066 50 10 JKGE O=C(COc1ccc(-c2cc(-c3ccccc3)c3cc(Cl)ccc3n2)cc1)NN=Cc1ccccc1 254483498 JEPMYOAPAQIEDI-UHFFFAOYSA-N 491.978 6.751 50 10 JKGE O=C(CCn1c(-c2ccccc2)c(-c2ccccc2)c2ccccc21)NN=Cc1cccc([N+](=O)[O-])c1 254594928 ZZLYPIAUEXLQBZ-UHFFFAOYSA-N 488.547 6.424 50 10 JKGE CCCCCCCCC(=O)NN=Cc1ccc(OC(=O)c2ccc(OCCC)cc2)c(OC)c1 254730616 WFXPYAJSFARYDT-UHFFFAOYSA-N 468.594 5.904 50 10 JKGE CCCOc1ccc(/C=C(/NC(=O)c2ccccc2)C(=O)NN=C/C=C\c2ccccc2)cc1 254764828 XSVRLDAFKQIWSY-MIVSIEBZSA-N 453.542 5.062 50 10 JKGE Cc1cccc(C2=Nc3ccccc3C2=NNC(=O)C(O)(c2cccc(C)c2)c2cccc(C)c2)c1 254798930 UVVODEFCJYKTJR-UHFFFAOYSA-N 473.576 5.503 50 10 JKGE Cc1sc([C@H](Br)c2sccc2I)cc1Br 307453662 VNMGZZLQLOKYGS-VIFPVBQESA-N 478.012 5.969 50 10 JKGE Clc1cc([C@H]2CN(Cc3ccccc3)C[C@@H]2CI)ccc1Br 382681686 AVDQDXOGUCPVDV-JKSUJKDBSA-N 490.610 5.753 50 10 JKGE CC[C@H](O[Si](C)(C)C(C)(C)C)[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)O 399958033 YJNCBEAMILHGCH-GOTSBHOMSA-N 469.654 5.779 50 10 JKGE CN(C(=O)OC(C)(C)C)c1ccccc1[C@@H]1CCc2ccccc2N1CCO[Si](C)(C)C(C)(C)C 616592381 FLJIZRIKIQEWJG-SANMLTNESA-N 496.768 7.574 50 10 JKGE CC(C)(C)OC(=O)N1c2ccccc2CC[C@H]1c1ccc(CCO[Si](C)(C)C(C)(C)C)cc1 616666984 BCZGFOFLCOPPII-VWLOTQADSA-N 467.726 7.680 50 10 JKGE Cc1cc(C)c([C@H](Br)c2cn(C)c(Br)n2)c(C)c1Br 698452126 WXYJALWWGOQNJH-CYBMUJFWSA-N 451.000 5.355 50 10 JKGE Fc1ccc([C@H](Br)c2sccc2I)c(F)c1Br 701020468 HYVSQJMASCHSOG-QMMMGPOBSA-N 493.936 5.878 50 10 JKGE CCc1nnc(COc2c(Br)cc(Br)cc2CBr)s1 702682136 ZOUHUOPBSSJPAQ-UHFFFAOYSA-N 471.012 5.099 50 10 JKGE BrCc1cc(Br)ccc1N1CC[C@H]2[C@H](CCCN2Cc2ccccc2)C1 715013979 GPICIDDACPSBJN-GCJKJVERSA-N 478.272 5.835 50 10 JKGE C[C@@H](COCc1ccccc1)COc1c(Br)cc(Cl)cc1CBr 719401106 XTIIFNWBUTYAHC-ZDUSSCGKSA-N 462.609 6.229 50 10 JKGE Cc1cc(C=NNC(=O)CSCc2cccc(Cl)c2)c(C)n1-c1cccc(Br)c1 725384460 IZQHRENWSFNDDK-UHFFFAOYSA-N 490.854 5.894 50 10 JKGE O=C(CC[C@@H](O)c1ccccc1)NN=Cc1cc(Br)ccc1OCc1cccc(F)c1 725404709 MYZAEHGUWXGLKJ-JOCHJYFZSA-N 485.353 5.131 50 10 JKGE Cc1c(C=NNC(=O)c2ccccc2Br)c2ccccc2n1Cc1cccc(Cl)c1 1084220064 IZNYJIXKVHYXCZ-UHFFFAOYSA-N 480.793 6.178 50 10 JKGE Cc1cccc(NC(=O)/C(C#N)=C/c2cc(Br)c(Sc3ccc(Cl)cc3)o2)c1 1084475757 LSQJLYBLPWBGNF-GXDHUFHOSA-N 473.779 6.701 50 10 JKGE CC(C)(C)c1ccc(OCC(=O)NN=C2C(=O)N(Cc3cccc4ccccc34)c3ccccc32)cc1 1084536950 RDDZBMDPTQFFSB-UHFFFAOYSA-N 491.591 5.583 50 10 JKGE Cc1cc(C=NNC(=O)[C@H](C)Sc2ccccc2)c(C)n1-c1ccc(Br)cc1 1084604259 QHIULYPCNVMVOD-KRWDZBQOSA-N 456.409 5.488 50 10 JKGE O=C(Nc1ccc(C(=O)NN=Cc2ccc(Cl)cc2)cc1)Nc1cccc(C(F)(F)F)c1 1088706515 YYVCFBJTDRORRK-UHFFFAOYSA-N 460.843 5.767 50 10 JKGE O=C(COc1ccc(Br)c2ccccc12)NN=Cc1c(Cl)cccc1Cl 1565517486 BQRBWILXWKDMHF-UHFFFAOYSA-N 452.135 5.438 50 10 JKGE Cc1cc(OCC(=O)NN=Cc2ccc(Cl)cc2Cl)c(C(C)C)cc1Br 1772753932 FBUSVWGOLKGNDT-UHFFFAOYSA-N 458.183 5.717 50 10 JKGE O=C(CCc1ccccc1Br)NNC(=O)c1ccc(-c2ccc3ccccc3c2)s1 1860391784 UWKFFTSEPLRYPO-UHFFFAOYSA-N 479.399 5.725 50 10 JKGE N#CC1=C(N)Oc2c(c(-c3ccccc3)nn2Cc2ccc(Cl)cc2)[C@H]1c1ccc(O)cc1 1865683245 BIRCQNBPKPCXAL-QFIPXVFZSA-N 454.917 5.176 50 10 JKGE CCCc1nn(Cc2ccccc2F)c2c1[C@@H](c1cccc(Br)c1)C(C#N)=C(N)O2 1865684652 UVXMGSNLMGBQCP-FQEVSTJZSA-N 467.342 5.004 50 10 JKGE COc1ccc(-c2nn(Cc3ccccc3)c3c2[C@@H](c2ccccc2Cl)C(C#N)=C(N)O3)cc1 1865685588 KOUFLGHHCGLEBO-QHCPKHFHSA-N 468.944 5.479 50 10 JKGE CCOc1cc([C@H]2C(C#N)=C(N)Oc3c2c(CC)nn3CC(C)C)ccc1OCc1ccc(C)cc1 1865688069 IAIMBSQLNCARNV-SANMLTNESA-N 486.616 5.606 50 10 JKGE CCOc1cccc([C@H]2C(C#N)=C(N)Oc3c2c(C)nn3Cc2ccc(Cl)c(Cl)c2)c1 1865690734 ZVEMJYDWCBXWAB-NRFANRHFSA-N 455.345 5.164 50 10 JKGE CCCCOc1ccc([C@@H]2C(C#N)=C(N)Oc3c2c(C)nn3Cc2ccccc2Cl)cc1OC 1865695865 AAMANQLGOABMFE-XMMPIXPASA-N 478.980 5.299 50 10 JKGE N#CC1=C(N)Oc2c(c(-c3ccccc3)nn2Cc2ccc(F)cc2)[C@@H]1c1ccc(C(F)(F)F)cc1 1865710918 LOWOWOQYZZVQGG-JOCHJYFZSA-N 490.460 5.974 50 10 JKGE CCc1nn(C)c2c1[C@H](c1ccc(OCc3ccccc3)c(OCc3ccccc3)c1)C(C#N)=C(N)O2 1865711594 CCDVOEZDYHIBPK-HHHXNRCGSA-N 492.579 5.359 50 10 JKGE Cc1nc(-c2ccc(F)c(F)c2)ccc1C(=O)N/N=C\c1cc(Cl)cc(Br)c1O 1865761916 CIORQYUGVDUJRU-MWYAZZEHSA-N 480.696 5.221 50 10 JKGE CCOC(=O)c1c(-c2ccc(Cl)cc2)csc1NC(=O)/C(C#N)=C/c1ccc(C)cc1 1866127269 SEPAMMQMDCJAJU-LDADJPATSA-N 450.947 6.099 50 10 JKGE COCCN1[C@H](C)CN(c2cc(Nc3ccc(SC#N)cc3)nc(-c3ccccc3C)n2)C[C@H]1C 1868301694 VEUNQHIMXAFSGH-NHCUHLMSSA-N 488.661 5.314 50 10 JKGE CCOc1cc(/C=C(\C#N)c2ncccc2[N+](=O)[O-])ccc1OCc1ccc(Br)cc1 1872728993 HCZBHVNDOJJXDZ-LDADJPATSA-N 480.318 5.794 50 10 JKGE CCOc1ccc(OCC)c(-c2csc(/C(C#N)=C(\O)COc3ccc(C)c(C)c3)n2)c1 1872754835 LEXAQSMZUSMTOV-LNVKXUELSA-N 450.560 6.096 50 10 JKGE CCOc1ccc(-c2csc(/C(C#N)=C(\O)[C@H](C)Oc3ccc(C(C)C)cc3)n2)c(OCC)c1 1872755522 RKUATGBKSWVVFC-RHGYLGJDSA-N 478.614 6.991 50 10 JKGE COc1cccc(/C=C(\C#N)c2nc(-c3ccccc3Cl)cs2)c1OCc1cccc(C)c1 1872780689 IAARSDNLULRYAK-KGENOOAVSA-N 472.997 7.424 50 10 JKGE BrCCCCCCSc1cc(I)ccc1Br 1900781935 WYPJYAOLCRWGPT-UHFFFAOYSA-N 478.031 6.101 50 10 JKGE CC(C)(CBr)N(Cc1ccccc1)C(=O)c1cc(C(F)(F)F)ccc1Br 1915766327 YLKOLZJTVGCYKC-UHFFFAOYSA-N 493.161 6.284 50 10 JKGE Fc1cc(Cl)cc([C@H](Br)c2cc(Br)ccc2Br)c1 1918783524 PFPXOKNXJTXWKP-ZDUSSCGKSA-N 457.362 6.488 50 10 JKGE Fc1c(Br)cccc1[C@@H](Cl)c1c(Br)sc(Br)c1Cl 1923040030 SDNSIAYQXFSJKQ-SSDOTTSWSA-N 497.836 7.156 50 10 JKGE C[C@H](C1CCCCC1)[C@@H](Cl)c1c(Br)sc(Br)c1Br 1924568673 JZZUYQRWLBSELS-RDDDGLTNSA-N 479.503 7.532 50 10 JKGE Cc1cc(C)c([C@@H](Cl)c2c(Br)sc(Br)c2Br)c(C)c1 1924595996 HSHDAUDMDQTRBI-GFCCVEGCSA-N 487.482 7.289 50 10 JKGE Cl[C@@H](c1c(Br)sc(Br)c1Br)C1CC2(CCC2)C1 1924608052 CQIQBMRVZHSOMK-SECBINFHSA-N 463.460 6.896 50 10 JKGE Brc1cc2c(c([C@H](Br)c3csnc3Br)c1)OCC2 1925249059 VYEJNYVSFPJFRH-JTQLQIEISA-N 453.981 5.087 50 10 JKGE FC1(F)[C@@H]([C@@H](Br)c2cc(Br)sc2Br)C12CCC2 1944839387 JUQQOCLMKGTJIF-YUMQZZPRSA-N 450.968 6.145 50 10 JKGE CC(C)(C)OC(=O)NCCSSCCN[C@@H]1CCC(F)(F)C[C@H]1OCc1ccccc1 2010827527 SDXKYHCVSJRRAR-RTBURBONSA-N 476.655 5.255 50 10 JKGE FC1(F)CC(C[C@H](Br)c2c(Br)sc(Br)c2Cl)C1 2014279728 XZHTWQCDNVCSGQ-YFKPBYRVSA-N 473.402 6.798 50 10 JKGE CC[C@H](C)[C@@H](CI)NCc1ccc(Br)cc1Br 2023044885 VCXOYASZDUPGJE-TVQRCGJNSA-N 475.006 5.151 50 10 JKGE COC[C@@H]1CC[C@@H]([C@@H](Br)c2c(Br)sc(Br)c2Cl)C1 2061291367 CZXYPALWPBJCKT-ZXFLCMHBSA-N 481.475 6.425 50 10 JKGE Cc1c(Br)sc([C@H](Br)C[C@@H]2C[C@H]2C(F)(F)F)c1Br 2065505372 KLNPGWYBBBDTEK-RRKCRQDMSA-N 470.974 6.606 50 10 JKGE CC(C)(C)[Si](C)(C)OCc1cc(Br)ccc1NC(=O)OCc1ccccc1 2081066507 GQNCXAJTKGJCOB-UHFFFAOYSA-N 450.449 6.720 50 10 JKGE COc1ccc([C@@H](Br)c2c(Br)cccc2Br)cc1F 2094091871 YWVMZUKPBWXTSI-CQSZACIVSA-N 452.943 5.844 50 10 JKGE C[C@@H]1CC[C@H](C(C)(C)c2c(Br)cccc2Br)[C@@H](Br)C1 2094132955 BEDCHCIGEVWLBI-SUNKGSAMSA-N 453.056 6.689 50 10 JKGE C[C@@H](Cn1c([C@@H](C)Cl)nc2cc(Br)c(Cl)cc21)N(C)Cc1ccccc1 2103815296 LZTLFOWXJUELOW-UONOGXRCSA-N 455.227 6.273 50 10 JKGE Fc1ccc([C@H](Br)Cc2c(Cl)cccc2Cl)c(I)c1 2104782152 LNAQRSOFUKMXIW-LLVKDONJSA-N 473.938 6.416 50 10 JKGE O=C(c1cc(Br)sc1Br)N1[C@H](CBr)C[C@H]2CCC[C@@H]21 2108390431 AASZXAFGABKJNI-WEDXCCLWSA-N 472.040 5.051 50 10 JKGE Cc1cc(F)c([C@H](Br)c2cc(I)ccc2F)cc1Cl 2113351684 RXMDEAQADXQLKS-CQSZACIVSA-N 457.483 6.016 50 10 JKGE Cc1cc(Br)c(CBr)c(Oc2cc(Br)ccc2F)c1 2116824239 LMXOJANHTQXRSI-UHFFFAOYSA-N 452.943 6.346 50 10 JKGE BrC[C@@]1(Cc2ccc(Br)cc2Br)CCCCC12CC2 2117004796 QXTBGWGBVYFNIN-INIZCTEOSA-N 451.040 6.490 50 10 JKGE BrC[C@@]1(Cc2cc(Br)ccc2Br)CCC=CCCC1 2118533298 YHDQTBLUHDBHFV-INIZCTEOSA-N 451.040 6.656 50 10 JKGE C[C@@H]1Cc2cc([C@@H](Cl)c3cc(I)sn3)cc(Br)c2O1 2120030642 XOOWWBZGBOBAMP-SREIQFSDSA-N 470.557 5.162 50 10 JKGE Cc1cc(Br)c(C)c([C@H](Br)[C@@H]2[C@H]3CCCC[C@H]32)c1Br 2136376500 GQWSAWSUGARCKM-CIGZNWKYSA-N 451.040 6.701 50 10 JKGE Cc1cc(Cl)c(Br)cc1[C@H](Br)c1c(C)nn(C)c1Br 2137642035 GYUCBZUDCBSUBO-LBPRGKRZSA-N 471.418 5.700 50 10 JKGE CCC[C@H](CC(C)C)[C@H](Br)c1ccc(Br)c(C)c1Br 2138848183 DVKCBHABEXMINQ-WBMJQRKESA-N 455.072 7.418 50 10 JKGE Cc1c(Br)ccc([C@H](Br)c2c(Cl)cccc2Cl)c1Br 2138853399 QGCVATDNIZXITC-AWEZNQCLSA-N 487.844 7.311 50 10 JKGE CC[C@H](C)c1ccc([C@@H](Br)c2c(Br)cccc2Br)cc1 2150495298 WKRPDSRIAMPGIX-APPDUMDISA-N 461.035 7.209 50 10 JKGE O=C(N[C@@H]1CCCC[C@@H]1CCBr)c1c(Br)cccc1Br 2150502783 FAWRWWPBUISVFD-ZWNOBZJWSA-N 468.027 5.285 50 10 JKGE CO[C@@](C)(COCc1ccccc1)Cn1c([C@@H](C)Cl)nc2cncc(Br)c21 2151792502 BGKFKBCVNVBDEF-JLTOFOAXSA-N 452.780 5.116 50 10 JKGE Cn1nc([C@@H](Cl)c2csc3c(Br)cccc23)c(Br)c1Cl 2167048434 RNCQLBGLAVOXSB-JTQLQIEISA-N 455.002 6.141 50 10 JKGE Fc1c(Br)ccc(CC[C@@H](Br)c2cccc(Br)c2)c1F 2169789807 RNWSDJJCVQCMAL-GFCCVEGCSA-N 468.961 6.559 50 10 JKGE CC1(C)C[C@@H](CBr)CN(C(=O)c2cc(Br)cc(Br)c2)C1 2172587562 WQOXFAJYKWWKNX-JTQLQIEISA-N 468.027 5.095 50 10 JKGE Cc1cc(Br)c(CBr)c(N2Cc3cccc(Br)c3C2)c1 2173443816 GXBYMPTXDKFBCH-UHFFFAOYSA-N 460.007 5.935 50 10 JKGE Clc1ccc(C[C@H](CBr)Cc2cc(Br)ccc2Br)cc1 2175147759 RKIWGKFSKJQXAH-LBPRGKRZSA-N 481.453 6.661 50 10 JKGE CN(CCCCCn1c(CCl)nc2cc(Cl)c(Br)cc21)Cc1ccccc1 2184085760 CCUIMKZJSNYXEQ-UHFFFAOYSA-N 469.254 6.493 50 10 JKGE C[C@@H]1C[C@@H](n2c(CCl)nc3ccc(F)c(Br)c32)CN(Cc2ccccc2)C1 2184260897 QONPQCBSWPBNFL-GDBMZVCRSA-N 450.783 5.760 50 10 JKGE CCn1cc([C@H](Br)c2cc(Br)c(OC)cc2Cl)nc1Br 2202356435 LNGBTSFVHBLFEZ-GFCCVEGCSA-N 487.417 5.574 50 10 JKGE Clc1cc(Br)c([C@@H](Cl)c2cc(Br)sn2)c(Cl)c1Cl 2217611631 VUGNXSWWEVYAGA-VIFPVBQESA-N 470.828 6.957 50 10 JKGE CCN(C(=O)c1csc(Br)c1Br)[C@H]1CCC[C@H]1Br 2217698626 XHTWEURQOGXMLT-BDAKNGLRSA-N 460.029 5.051 50 10 JKGE CCN(C(=O)c1csc(Br)c1Br)[C@@H]1CCC[C@@H]1Br 2217698628 XHTWEURQOGXMLT-DTWKUNHWSA-N 460.029 5.051 50 10 JKGE BrCC(CBr)(Cc1cscc1Br)C1CCOCC1 2219926939 DQXPTXZUTUHQII-UHFFFAOYSA-N 461.057 5.256 50 10 JKGE Fc1cc(Br)c(Br)cc1[C@@H](Cl)c1cccc(Br)c1Cl 2225635712 WSYVKZXWLQCTNB-LBPRGKRZSA-N 491.807 7.095 50 10 JKGE ClCc1nc2cc(Br)c(Br)cc2n1C[C@H]1CCCN1Cc1ccccc1 2225702069 OEWFYPLDXYJOSY-OAHLLOKOSA-N 497.662 5.965 50 10 JKGE O=C(c1csc(Br)c1Br)N1CCC[C@@H](CCCBr)C1 2225820849 FREPJCIFHMWMRM-SECBINFHSA-N 474.056 5.300 50 10 JKGE Cc1sc([C@@H](Cl)c2ccc(Br)c(C)c2Br)c(C)c1Br 2226078670 SGDQSUGZZQWNRW-ZDUSSCGKSA-N 487.482 7.289 50 10 JKGE Cc1cc(Br)c([C@H](Cl)c2cc(Cl)c(Cl)s2)c(C)c1Br 2227347821 KUNFLIOQSMGEEO-GFCCVEGCSA-N 463.449 7.525 50 10 JKGE Cc1cc(Br)c([C@H](Br)[C@@H]2C[C@H]3CCC[C@@H]32)c(C)c1Br 2227361271 BCUVRAYQRMERMV-AZKPJATDSA-N 451.040 6.701 50 10 JKGE Cc1sc(Br)c(C)c1[C@@H](Br)Cc1ccc(Br)cc1Cl 2229150848 HPIGLVBNOKOIDQ-NSHDSACASA-N 487.482 7.222 50 10 JKGE Clc1cc(Br)c([C@H](Br)[C@@H]2CO[C@@H]3COC[C@@H]32)c(Cl)c1Cl 2232515185 XRRJJLYUDWWCTF-LIUHEQGWSA-N 465.396 5.507 50 10 JKGE C[C@H](Cl)c1nc2c(F)cc(Br)cc2n1C[C@H]1CCCN1Cc1ccccc1 2232917190 YPBQZUUUGMZVHG-WMLDXEAASA-N 450.783 5.902 50 10 JKGE CCOCc1cc(Br)c([C@@H](Cl)c2cc(Br)ccc2Cl)s1 2233010502 UYCNLOMJJVISMP-ZDUSSCGKSA-N 459.030 6.791 50 10 JKGE ClCc1nc2cc(Br)c(Br)cc2n1-c1ccccc1Br 2234072669 ZYYFRALWFGDOHM-UHFFFAOYSA-N 479.397 6.052 50 10 JKGE CSc1ccccc1[C@H](Br)c1c(Br)cc(C)c(Br)c1C 2235604002 LWQGXQRBDBKTEZ-INIZCTEOSA-N 479.075 7.035 50 10 JKGE Cc1cc(Br)c([C@@H](Br)Cc2ccccc2F)c(C)c1Br 2235604466 NVPWPKVBDDSQIC-ZDUSSCGKSA-N 464.998 6.646 50 10 JKGE Cc1sc([C@@H](Cl)c2c(Br)cc(Cl)c(Cl)c2Cl)c(Br)c1C 2237633361 KMNSYJDZFIGYCQ-LBPRGKRZSA-N 497.894 8.178 50 10 JKGE COc1ccc([C@H](Br)c2cc(C)c(Br)s2)c(Br)c1Cl 2268264454 SOUQLDOCLKRQIE-JTQLQIEISA-N 489.454 6.728 50 10 JKGE COc1ccc([C@@H](Br)c2cc(Br)sc2C)c(Br)c1Cl 2268268828 VSFYTNHPFGMGLY-LLVKDONJSA-N 489.454 6.728 50 10 JKGE COc1ccc([C@@H](Br)c2cccc(Br)c2C)cc1I 2269556064 LDUCJTNOODFPDE-OAHLLOKOSA-N 495.980 5.855 50 10 JKGE COc1cc(C)c(Br)c(C)c1[C@@H](Br)c1cc(Br)sn1 2269599331 WJGJRZNNEAUJOV-ZDUSSCGKSA-N 470.024 5.778 50 10 JKGE Cc1ccc([C@@H](Cl)c2c(Br)cc(C)c(F)c2C)cc1I 2279158684 NKLAHEZQZVNFKC-OAHLLOKOSA-N 467.547 6.446 50 10 JKGE CC1(C)C[C@H]([C@H](Br)Cc2cc(Br)cc(Br)c2)C(C)(C)O1 2295340417 WKLHKMQFOVAYCQ-ZIAGYGMSSA-N 469.055 6.111 50 10 JKGE N#CC(=Cc1ccc(OCc2ccccc2)cc1)C(=O)Nc1ccc([N+](=O)[O-])cc1C(F)(F)F 2297551394 HMPFQJHKBYULPO-UHFFFAOYSA-N 467.403 5.738 50 10 JKGE CCCN[C@@H](c1ccc(OCc2ccccc2)cc1Br)[C@@H]1C[C@H]1Br 2299528571 SPAPRELQJCYPSA-RLLQIKCJSA-N 453.218 5.852 50 10 JKGE Brc1cc(OCc2ccccc2)ccc1[C@H](Br)[C@]12CCOC[C@H]1C2 2299533597 UVQQCXRAVOYJAN-XPGWFJOJSA-N 452.186 5.891 50 10 JKGE FC1(F)C[C@]12C[C@H]2[C@H](Br)c1cc(Br)ccc1OCc1ccccc1 2299535015 KLSFLMZIWFFWJB-JQHSSLGASA-N 458.140 6.509 50 10 JKGE FC1(F)CCOC[C@H]1[C@H](Br)c1sc(Cl)cc1I 2300952795 AJIWOYMGFBFVRV-XNCJUZBTSA-N 457.505 5.114 50 10 JKGE BrC[C@H](Cc1sccc1I)c1ccc(Br)cc1 2301002131 IDSVEFYXSWNXDX-JTQLQIEISA-N 486.010 5.836 50 10 JKGE Cc1scc([C@@H](Br)c2c(Cl)sc(Br)c2Cl)c1Br 2303643068 AAFNVPDKLBHTPU-SSDOTTSWSA-N 499.902 7.434 50 10 JKGE Cl[C@@H](c1c(Br)sc(Br)c1Br)[C@@]12CCCC[C@@H]1CC2 2313307686 ONPICPJMVKPZIE-LIEFSGRHSA-N 477.487 7.286 50 10 JKGE N#CC(=Cc1ccccc1OCc1ccc(Cl)cc1)C(=O)Nc1cccc(Cl)c1Cl 2313570593 APLBXEYRWGAURK-UHFFFAOYSA-N 457.744 6.771 50 10 JKGE N#CC(=Cc1ccc(OCc2cccc([N+](=O)[O-])c2)cc1)C(=O)Nc1cccc(Cl)c1Cl 2313571012 LIUNICMGOWULPN-UHFFFAOYSA-N 468.296 6.026 50 10 JKGE Cc1c(Cl)cccc1NC(=O)C(C#N)=Cc1cn(Cc2ccccc2Cl)c2ccccc12 2313681053 BTGVDABCXVFZMI-UHFFFAOYSA-N 460.364 6.851 50 10 JKGE CCCCCCOc1ccc(C(=O)NNC(=S)NC(=O)C=Cc2cccc3ccccc23)cc1 2313741166 REAXNXUDQYLGLZ-UHFFFAOYSA-N 475.614 5.148 50 10 JKGE Cc1ccc(F)cc1[C@H](Br)c1cc(Br)ccc1OCc1ccccc1 2314449762 SMQCQFGCIAAPBL-NRFANRHFSA-N 464.172 6.960 50 10 JKGE N#CC(=C(O)c1ccc(-c2cc(Cl)ccc2Cl)o1)c1nc(-c2ccc(Cl)cc2)cs1 2314457270 CMZHSSDXINROHU-UHFFFAOYSA-N 473.768 7.980 50 10 JKGE Cc1ccc(NC(=O)C(C#N)=Cc2ccc3noc(-c4ccc(Cl)cc4)c3c2)c([N+](=O)[O-])c1 2314572211 WDJKGJMKSMSJRQ-UHFFFAOYSA-N 458.861 5.911 50 10 JKGE CCCCCCCOc1ccc(C=C2C(=O)N([C@H](C)c3ccccc3)C(=O)C(C#N)=C2C)cc1 2314617923 DDXTUWOUFZCSET-JOCHJYFZSA-N 456.586 6.389 50 10 JKGE CC1=C(C#N)C(=O)N(CCCOC(C)C)C(=O)C1=Cc1ccc(-c2cccc(Cl)c2Cl)o1 2314619025 YKLNJPFRDMRZKM-UHFFFAOYSA-N 473.356 5.661 50 10 JKGE Brc1cc(Br)c([C@H](Br)[C@@H]2COC3(CCC3)CO2)s1 2316793219 WGNNJOBTXAIKFE-WCBMZHEXSA-N 461.013 5.047 50 10 JKGE CN(Cc1ccc(I)c(Br)c1)C[C@@H]1CCC[C@@H]1Br 2325214725 RQCQONMGYWXPDE-RYUDHWBXSA-N 487.017 5.049 50 10 JKGE CC1(C)CCC[C@]1(CBr)Cc1ccc(I)c(Br)c1 2325221600 HMCRYAGWTFUVIV-OAHLLOKOSA-N 486.029 6.188 50 10 JKGE N#CC(=CNc1ccccc1Br)C(=O)Nc1ccccc1Sc1ccccc1 2325339496 NSGAJNFZMRLALZ-UHFFFAOYSA-N 450.361 6.058 50 10 JKGE COc1cc(C=C(C#N)c2nc3ccccc3n2C)ccc1OCc1ccc(Cl)c(Cl)c1 2331019577 AKSZKVLHKYTHFR-UHFFFAOYSA-N 464.352 6.532 50 10 JKGE COc1cccc(C=C(C#N)c2nc(O)c3ccccc3n2)c1OCc1c(Cl)cccc1Cl 2331030128 WHFNNMPWMWOJGD-UHFFFAOYSA-N 478.335 6.294 50 10 JKGE CCCOc1ccc(-c2csc(C(C#N)=C(O)Cc3cccc4ccccc34)n2)cc1OCCC 2331293319 WLXCBCHXLVSEOL-UHFFFAOYSA-N 484.621 7.576 50 10 JKGE CC(C)c1csc(C(C#N)=C(O)c2cc(S(=O)(=O)N3CCCCC3)ccc2Cl)n1 2331329035 QCDQISGYEFWCHW-UHFFFAOYSA-N 452.001 5.044 50 10 JKGE COc1ccc(-c2csc(C(C#N)=C(O)C=Cc3ccc(OC(C)=O)c(OC)c3)n2)c(OC)c1 2331385429 CMKKAJOFEZSQNY-UHFFFAOYSA-N 478.526 5.267 50 10 JKGE CCOc1cc(C=C(C#N)c2nc(-c3ccc(C)cc3)cs2)ccc1OCc1ccc(C)cc1 2331444168 UGWZUPKBUGHCTC-UHFFFAOYSA-N 466.606 7.469 50 10 JKGE Cc1sc([C@H](Cl)c2c(F)cc(Cl)c(Br)c2Cl)cc1Br 2335302649 RPQZJBNVESUICY-NSHDSACASA-N 467.412 7.356 50 10 JKGE C[C@@H]1CCCC[C@H]1[C@H](Br)c1c(Cl)cc(Br)c(F)c1Br 2337089773 DGPFKMDZWQBVSN-RWYTXXIDSA-N 477.437 7.266 50 10 JKGE CC1(C)CC[C@@H](CBr)N(Cc2ccc(Cl)c(I)c2)C1 2337222887 FFAFYYWBVCAQOL-LBPRGKRZSA-N 456.593 5.330 50 10 JKGE Cc1cc([C@@H](Br)c2c(C)cc(Br)c(F)c2Br)sc1C 2339647367 ZXTOLWWSSKIKMZ-GFCCVEGCSA-N 471.027 6.822 50 10 JKGE Cc1cc(Br)c(F)c(Br)c1[C@H](Br)C12CC(C1)[C@@H](C)O2 2339683362 CEOOBSDIPVOQDQ-FJSYNQMHSA-N 456.975 5.663 50 10 JKGE COc1c(Br)cc(Cl)cc1[C@@H](Br)c1csc(C)c1Br 2343558389 RBPCOBYMGDXJJO-GFCCVEGCSA-N 489.454 6.728 50 10 JKGE BrC[C@H]1CCN(Cc2ccc(I)c(Br)c2)C12CCC2 2349850496 ARFZNELSMXCMOO-GFCCVEGCSA-N 499.028 5.193 50 10 JKGE Cc1ccc(C)c([C@@H](Br)c2c(Cl)cc(Br)c(F)c2Br)c1 2362230474 QKRXYOUZTNQKAT-CYBMUJFWSA-N 485.416 7.105 50 10 JKGE Fc1cc(Br)c(Br)cc1[C@@H](Br)[C@H]1C[C@H]2CCC[C@H]1CC2 2364091767 HMJNACGMURCLJI-YPIXOSSWSA-N 469.030 7.003 50 10 JKGE Fc1cccc(C[C@H](CCl)Cc2ccc(I)c(Br)c2)c1 2377328995 IDGDUHYLTFTOAM-ZDUSSCGKSA-N 467.547 5.833 50 10 JKGE CC(C)(C)OC(=O)N[C@H](C[S@](C)(=O)=NC[C@](C)(CBr)C(C)(C)C)C(C)(C)C 2380204028 WOIYWCTYJTZVHI-AGBIPYHCSA-N 469.530 5.471 50 10 JKGE C[C@@H]1CC[C@H](C(C)(C)Cc2cc(I)ccc2Cl)[C@H](Br)C1 2380530114 YLRZXSBQUGZZRP-BYCMXARLSA-N 469.632 6.713 50 10 JKGE CCc1cc(Br)c(OC)c([C@@H](Cl)c2ccc(I)cc2)c1 2381248028 SSHNFRYTTACLDB-HNNXBMFYSA-N 465.556 5.953 50 10 JKGE CC(=NNC(=O)COc1cc(Cl)c(Cl)cc1Cl)c1ccc(C2CCCCC2)cc1 4156064 NPLQXKATAASFMQ-UHFFFAOYSA-N 453.797 6.614 50 10 JKGE COc1ccc(/C(C#N)=C\c2ccc(OC(=O)CCCOc3ccccc3)c(OC)c2)cc1OC 31902064 UNDHTEOFMSTBFZ-JWGURIENSA-N 473.525 5.541 50 10 JKGE CCOc1ccc(NC(=O)/C(C#N)=C\c2cn(-c3ccccc3)nc2-c2ccc(F)cc2)cc1 33339650 QKZHSFBFIPJNSX-SILNSSARSA-N 452.489 5.623 50 10 JKGE Cc1cc(-c2nn(-c3ccccc3)cc2/C=C(/C#N)c2nc(O)c3ccccc3n2)ccc1OC(C)C 34983913 AVANUUDMLFDCND-JWGURIENSA-N 487.563 6.348 50 10 JKGE N#C/C(=C\c1cn(-c2ccccc2)nc1-c1ccc(Cl)cc1)C(=O)Nc1ccc([N+](=O)[O-])cc1 38199826 GRBNDIOJJYMBTO-NBVRZTHBSA-N 469.888 5.647 50 10 JKGE CCCOc1ccc(C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@@H]3c2cccc3ccccc23)cc1 38657798 IEPMONJEWGXAIJ-MUUNZHRXSA-N 476.532 6.066 50 10 JKGE N#CC1=C(N)Oc2cc(OC(=O)c3ccccc3F)ccc2[C@@H]1c1cccc(Oc2ccccc2)c1 38660920 SOIQPHYAPVRWPA-MHZLTWQESA-N 478.479 6.055 50 10 JKGE CCCCCCOc1ccc(/C=C(\C#N)C(=O)Nc2nc(-c3ccc(C)cc3)cs2)cc1OC 40858407 RJZBPCRJZZETQX-PXLXIMEGSA-N 475.614 6.632 50 10 JKGE O=C(CSc1nc(-c2ccccc2)cs1)N/N=C/c1ccc(OCCc2ccccc2)cc1 40924631 PJTGLGAIPYRMCP-WPWMEQJKSA-N 473.623 5.674 50 10 JKGE CCCCCCOc1ccc(/C=N/NC(=O)CCCOc2ccc(C)cc2Br)cc1 40951292 ALVAVTVELVUWRI-NLRVBDNBSA-N 475.427 6.026 50 10 JKGE CCOc1cc(/C=C(\C#N)C(=O)Nc2cccc(C)c2)ccc1OCc1cccc2ccccc12 59432842 VWUOQKZVZQSWSB-KOEQRZSOSA-N 462.549 6.672 50 10 JKGE Brc1cc([C@@H](Br)[C@H]2COc3ccccc32)c(Br)s1 70391807 HRTVBETWUZOWLB-JOYOIKCWSA-N 452.993 5.885 50 10 JKGE C[C@H]1COc2ccc([C@H](Br)c3ccc(I)cc3)cc2OC1 70511381 FOKMDMRFFCLBCI-APPDUMDISA-N 459.121 5.183 50 10 JKGE Brc1ccc([C@H](Br)c2cc(Br)sc2Br)o1 71101418 SRJAIVCKTWKYQJ-MRVPVSSYSA-N 479.813 6.113 50 10 JKGE CCCCOc1ccc([C@H](C(=O)NC2CCCCC2)N(Cc2ccccc2)C(=O)CCl)cc1 97915110 POVFHQZTRTTYBQ-AREMUKBSSA-N 471.041 5.623 50 10 JKGE COc1ccc([C@H](Br)c2cc(Br)ccc2F)c(Br)c1 104043823 WNLYIPZRENHMMI-AWEZNQCLSA-N 452.943 5.844 50 10 JKGE C[C@H](Cl)c1nc2ccc(Br)cc2n1-c1ccc(Br)cc1Br 115770697 LZPDVBQHPIQDHT-QMMMGPOBSA-N 493.424 6.613 50 10 JKGE FC(F)(F)c1cc([C@H](Br)c2cc(Cl)ccc2Cl)ccc1Br 124615412 PLUHNRHLRZLATI-ZDUSSCGKSA-N 462.918 7.259 50 10 JKGE CCOc1ccc([C@@H](Br)c2ccc(Br)s2)c(Br)c1 126702897 LZXXZOQFTHKGTB-CYBMUJFWSA-N 455.009 6.156 50 10 JKGE Cc1cc(Br)c([C@@H](Br)c2ccc(F)c(F)c2)cc1Br 128776121 TUVOCWPMYRQDFK-AWEZNQCLSA-N 454.934 6.283 50 10 JKGE Br[C@H](c1csc(I)c1)c1ccc2c3c(cccc13)CC2 158940340 PPMXSOWNFMMPMQ-QGZVFWFLSA-N 455.158 6.089 50 10 JKGE C[C@](CBr)(OCc1ccc(Br)cc1)c1ccccc1Br 162536692 XKWQDHCIZBCHES-MRXNPFEDSA-N 463.007 6.039 50 10 JKGE CCCN1C(=O)C(C#N)=C(C)/C(=C/c2cn(-c3ccccc3)nc2-c2cc3ccccc3o2)C1=O 214219242 PEVXRXHWMVUXIY-HMAPJEAMSA-N 462.509 5.288 50 10 JKGE COc1cc(Br)c([C@@H](Br)c2cccc(Br)c2Cl)cc1OC 228452427 YZADAMYVRNWXCF-AWEZNQCLSA-N 499.424 6.367 50 10 JKGE Cc1cc(F)c([C@@H](Br)c2cc(Br)cc(Br)c2)cc1F 235920428 NUIFRQZBFBPPHI-AWEZNQCLSA-N 454.934 6.283 50 10 JKGE Clc1cc(Oc2ccc(Br)cc2CBr)c(Cl)cc1Br 236060966 ACWTXDFMFAJKOZ-UHFFFAOYSA-N 489.816 7.206 50 10 JKGE CC1(C)[C@H]2CC[C@@]1(C)[C@H](O[C@H](CI)c1ccccc1Br)C2 253137890 USADWOSAKFCZDB-UOQGXUADSA-N 463.197 6.157 50 10 JKGE O=C(NN=Cc1ccc(O)c(O)c1)c1ccc(OCc2ccccc2)cc1OCc1ccccc1 254509439 ZCGXOEMMCWXNJI-UHFFFAOYSA-N 468.509 5.020 50 10 JKGE O=C(CNc1cccc(C(F)(F)F)c1)NN=Cc1ccc(N(c2ccccc2)c2ccccc2)cc1 254833129 JHQHAQDHOIUTEQ-UHFFFAOYSA-N 488.513 6.737 50 10 JKGE CCc1cc(C)sc1[C@H](Cl)c1cc(I)ccc1Br 310778216 BAJHONPKCOCCNB-CYBMUJFWSA-N 455.586 6.314 50 10 JKGE Cc1cc(C)c([C@H](Br)c2cc(Br)ccc2Cl)c(C)c1Br 312811155 RPKQABFMBPPFKB-MRXNPFEDSA-N 481.453 7.275 50 10 JKGE Clc1ccc(Br)c(CC(CBr)(CBr)c2ccccc2)c1 312940949 GIDDRWIMWGLQEK-UHFFFAOYSA-N 481.453 6.373 50 10 JKGE C[C@@H](Cl)c1nc2cc(C(F)(F)F)ccc2n1CCCN(Cc1ccccc1)Cc1ccccc1 390610002 ZIMSOVGMOJVWSO-HXUWFJFHSA-N 485.981 7.447 50 10 JKGE C[C@H]1C[C@@H](n2c(CCl)nc3cc(I)c(F)cc32)CN1Cc1ccccc1 398001768 NXUZKKXEFMJKOV-DZGCQCFKSA-N 483.756 5.354 50 10 JKGE CC(C)(C)[Si](C)(C)OCCc1cccc([C@H]2CCCN(S(=O)(=O)c3ccccc3)CC2)c1 616600383 IDNAOBPPIQKUAG-QHCPKHFHSA-N 473.755 6.209 50 10 JKGE CC(C)(C)OC(=O)NCCN1CCC[C@@H](c2ccc(CCO[Si](C)(C)C(C)(C)C)cc2)CC1 616626701 DLWJRKWPYLSIEA-HSZRJFAPSA-N 476.778 6.345 50 10 JKGE CC(C)(C)OC(=O)N1C[C@@H](c2cccc(CCO[Si](C)(C)C(C)(C)C)c2)Cc2ccccc21 616667929 FGVUXBIHZRYWOP-DEOSSOPVSA-N 467.726 7.332 50 10 JKGE COCc1cc(Br)c([C@H](Br)c2cc(Br)ccc2Cl)s1 688144909 MCMDKEOUFAAHTO-GFCCVEGCSA-N 489.454 6.557 50 10 JKGE COCc1cc(Br)c([C@@H](Br)c2ncsc2Br)s1 698689945 QPKJSUAFAWAJJP-ZETCQYMHSA-N 462.026 5.360 50 10 JKGE Cc1cc([C@H](Br)c2scc(Br)c2Br)c(Cl)cc1F 705439063 OLWHRODIHCEJKZ-JTQLQIEISA-N 477.418 6.858 50 10 JKGE CCN(C[C@](C)(CI)OC1CCCCCCC1)C(=O)OC(C)(C)C 721101873 QRODOXOVKQTTBV-IBGZPJMESA-N 453.405 5.567 50 10 JKGE Cc1ccc(-n2c(C)cc(C=NNC(=O)c3ccc(-n4c(C)ccc4-c4ccccc4)cc3)c2C)cc1 1084559952 IMFGMXSSRJIQFY-UHFFFAOYSA-N 486.619 6.933 50 10 JKGE Cc1ccc(C(C)C)c(OCC(=O)NN=Cc2cc(Br)ccc2OCc2ccccc2)c1 1772754307 WNKCETWXCHYOID-UHFFFAOYSA-N 495.417 5.989 50 10 JKGE COc1cc(C=NNC(=O)CSc2ccc(C)cc2)ccc1OCc1ccccc1Cl 1772755806 FGCVMPCLNPSYCY-UHFFFAOYSA-N 454.979 5.478 50 10 JKGE CCc1cccc(C)c1NC(=O)[C@H](C)Oc1cccnc1NC(=O)Oc1ccc([N+](=O)[O-])cc1F 1858684930 USUPZNJISUXWGO-HNNXBMFYSA-N 482.468 5.017 50 10 JKGE COc1ccc(-c2nn(Cc3cc(C)ccc3C)c3c2[C@H](c2ccccc2)C(C#N)=C(N)O3)cc1 1865680430 KMXHBZSKHZGACQ-RUZDIDTESA-N 462.553 5.442 50 10 JKGE N#CC1=C(N)Oc2c(c(-c3ccccc3)nn2-c2ccc(Cl)c(Cl)c2)[C@@H]1c1ccc(O)cc1O 1865681531 PWTWDEKZPHFBJY-OAQYLSRUSA-N 491.334 5.475 50 10 JKGE N#CC1=C(N)Oc2c(c(C(F)(F)F)nn2Cc2ccccc2)[C@@H]1c1ccc(Cl)c(Cl)c1 1865686669 YYXIRKIVMBFOHA-MRXNPFEDSA-N 465.262 5.475 50 10 JKGE CCCCOc1ccc([C@H]2C(C#N)=C(N)Oc3c2c(C(F)(F)F)nn3-c2ccccc2)cc1OCC 1865686956 GDBVXXQSZBKDSP-NRFANRHFSA-N 498.505 5.687 50 10 JKGE CCCOc1ccc([C@@H]2C(C#N)=C(N)Oc3c2c(CC)nn3Cc2ccc(Cl)cc2)cc1OCC 1865690895 DOIFBGPLWIMQLJ-XMMPIXPASA-N 493.007 5.553 50 10 JKGE CCCc1nn(Cc2ccc(Cl)cc2)c2c1[C@H](c1cc(Br)ccc1O)C(C#N)=C(N)O2 1865696827 RCPXHNXIQOENHK-HXUWFJFHSA-N 499.796 5.224 50 10 JKGE N#CC1=C(N)Oc2c(c(-c3ccccc3)nn2Cc2ccc(Cl)cc2)[C@H]1c1cccc([N+](=O)[O-])c1 1865706211 QGTFFXLYVSUIPJ-QFIPXVFZSA-N 483.915 5.378 50 10 JKGE N#CC1=C(N)Oc2c(c(-c3ccccc3)nn2-c2cccc3ccccc23)[C@H]1c1cccc(F)c1 1865711491 ZSDXZQJMZKMATF-VWLOTQADSA-N 458.496 6.050 50 10 JKGE Cc1ccc(C(=O)CCC(=O)N[C@@H](C(=O)Nc2ccc(SC#N)cc2)c2ccccc2)c(C)c1 1867090401 FECVKNJAOIPEJJ-AREMUKBSSA-N 471.582 5.336 50 10 JKGE O=C(Oc1ccc2c(=O)c(-c3ccc(Br)cc3)c(C(F)(F)F)oc2c1)C(Cl)Cl 1871385220 HLIRIPOEMRTKMX-UHFFFAOYSA-N 496.062 5.950 50 10 JKGE COc1ccc(/C=C(\C#N)c2nc3ccccc3n2C)cc1OCc1ccc(Cl)c(Cl)c1 1872726821 NUETUXADJUOAPM-WOJGMQOQSA-N 464.352 6.532 50 10 JKGE N#C/C(=C(/O)[C@H]1CC(=O)N(Cc2ccccc2)C1)c1nc(-c2ccc(-c3ccccc3)cc2)cs1 1872743663 GDTFIXUZZGGERP-ZUSYLBMNSA-N 477.589 6.318 50 10 JKGE CCc1ccc(-c2csc(/C(C#N)=C(\O)CN3C(=O)c4ccc(Br)cc4C3=O)n2)cc1 1872744517 WDCFQLKMDFUIJV-ZZEZOPTASA-N 494.370 5.224 50 10 JKGE Cc1ccc(-c2csc(/C(C#N)=C(\O)[C@H](CC(C)C)N3C(=O)c4ccccc4C3=O)n2)c(C)c1 1872748678 IOMGKCXNWFYDOR-HHUUSFLGSA-N 471.582 5.931 50 10 JKGE C[C@@H](c1ccccc1)N1C[C@H](/C(O)=C(\C#N)c2nc(-c3ccc(F)c(F)c3)cs2)CC1=O 1872751560 NDFQZIUEIQWBCE-LLCFEACKSA-N 451.498 5.491 50 10 JKGE COc1cc(OC)c(-c2csc(/C(C#N)=C(\O)Cc3ccc(NC(C)=O)cc3)n2)cc1Cl 1872756477 LSWZBDNTAJWFBT-JZJYNLBNSA-N 469.950 5.474 50 10 JKGE N#C/C(=C(/O)COc1cc(Cl)ccc1Cl)c1nc(-c2cc(Cl)ccc2Cl)cs1 1872758715 MWKIDOHCWQBNMQ-LGMDPLHJSA-N 472.180 7.295 50 10 JKGE COc1cc(/C=C(\C#N)c2nc(-c3ccc(C)cc3C)cs2)ccc1OCc1ccc(Cl)cc1 1872790325 AQJUAKFQYSXGFH-LPYMAVHISA-N 487.024 7.732 50 10 JKGE CCOc1ccc(OCC)c(-c2csc(/C(C#N)=C/c3ccc(OC(C)C)c(OC)c3)n2)c1 1872792863 VKLZKRFSMHAFIC-XDHOZWIPSA-N 464.587 6.467 50 10 JKGE COc1cc(/C=C(\C#N)c2nc(-c3ccc(F)c(F)c3)cs2)ccc1OCc1ccc(Cl)cc1 1872793188 MLIOHKIJFWUSRM-VXLYETTFSA-N 494.950 7.393 50 10 JKGE CCCN(C(=O)OCC1c2ccccc2-c2ccccc21)c1nc(CCl)c(C(=O)O)s1 1887616941 IBXDKANLIHLUPJ-UHFFFAOYSA-N 456.951 5.746 50 10 JKGE CC(C)[C@@H](CBr)N(Cc1ccccc1)C(=O)c1ccccc1I 1915289767 WTMMECXUFUJGKY-GOSISDBHSA-N 486.191 5.353 50 10 JKGE FC(F)(F)Oc1cccc([C@@H](Cl)c2sc(Br)cc2Br)c1 1922883694 NASAYUDFYKNTJR-SNVBAGLBSA-N 450.501 6.500 50 10 JKGE Cc1c(Br)sc([C@H](Br)[C@@H]2C[C@@H]3C[C@@H]3C[C@H]2C)c1Br 1922931146 ZPTNKEZQDXGWTD-PYDNAOQGSA-N 457.069 6.700 50 10 JKGE Cc1c(Br)sc([C@@H](Br)c2cc(Cl)sc2Cl)c1Br 1922944233 XNJJKVCXHHAWIY-ZETCQYMHSA-N 499.902 7.434 50 10 JKGE Brc1cc(Br)c([C@@H](Br)c2ccc3c(c2)OCCO3)s1 1922954002 JPJBAGHZDOGVOU-LBPRGKRZSA-N 468.992 5.529 50 10 JKGE Cl[C@@H](CC[C@@H]1CCOC1)c1c(Br)sc(Br)c1Br 1924604420 BLLVFYNSCUVRDK-RQJHMYQMSA-N 467.448 6.132 50 10 JKGE Cc1cc(Br)c(F)c([C@H](Br)Cc2ncccc2Br)c1 1924875187 HNZLCCQLSPFCSO-LLVKDONJSA-N 451.959 5.733 50 10 JKGE COC1(C(F)(F)[C@@H](Br)c2c(Cl)sc(Br)c2Cl)CCC1 1925565094 AMFUSBOQAMRWGO-ZETCQYMHSA-N 458.977 6.458 50 10 JKGE Cc1cc([C@@H](Br)c2c(Cl)sc(Br)c2Cl)sc1Br 1925571194 PAFLOZKMIPULNG-ZCFIWIBFSA-N 499.902 7.434 50 10 JKGE CC(C)(C)OC(=O)N1CC(N(CC2(CBr)CCCCCC2)OCc2ccccc2)C1 1982826227 BXWBAFUEVUGOGW-UHFFFAOYSA-N 481.475 5.775 50 10 JKGE Brc1ccc([C@@H](Br)c2ccsc2Br)c(Br)c1 1994121908 GPRYHOJNWFMKIN-SNVBAGLBSA-N 489.852 6.520 50 10 JKGE Clc1c(Br)ccc(CBr)c1N1CCC[C@@H](OCc2ccccc2)C1 2013490137 DETFKNPJGHWTMV-MRXNPFEDSA-N 473.636 6.183 50 10 JKGE CCc1sc(Br)cc1[C@H](Br)c1ccc(Br)cc1F 2030223376 UBEKUWYHAGWGBI-CYBMUJFWSA-N 457.000 6.459 50 10 JKGE Brc1csc([C@H](Br)c2csc3c(Br)cccc23)c1 2052437185 NMZRDZLIKWUQMV-GFCCVEGCSA-N 467.045 6.972 50 10 JKGE CCC(CC)(CBr)CNC(=O)c1cccc(Br)c1Br 2092339517 FHRGYZOMJDVBNY-UHFFFAOYSA-N 456.016 5.143 50 10 JKGE CCc1nn(-c2cc(Br)ccc2CCl)c(CC)c1I 2093914374 BQRPTPHUXIUJFQ-UHFFFAOYSA-N 453.549 5.103 50 10 JKGE C[C@@H](Br)C[C@H]1CCCCN1Cc1c(Br)cccc1Br 2094101105 ZIPNOZWBTSDNGH-VXGBXAGGSA-N 454.044 5.740 50 10 JKGE C[C@H]1CC[C@H](CC(CBr)(CBr)c2ccccc2Br)C1 2101724781 OOGMNCSSLOSZKV-STQMWFEESA-N 453.056 6.303 50 10 JKGE FC1(F)CCC2(CC1)C[C@H]2[C@H](Br)c1sc(Br)cc1Br 2107095453 HWLBFRSBXKWJGF-XVKPBYJWSA-N 479.022 6.925 50 10 JKGE Fc1cccc([C@@H](Br)Cc2cccc(Cl)c2F)c1I 2113466473 SECGUYDNRXAXBC-JTQLQIEISA-N 457.483 5.902 50 10 JKGE Fc1cc(Br)cc(N2CCN(Cc3ccccc3)C3(CCC3)C2)c1CBr 2114265768 IFVUDTPXWSJYSK-UHFFFAOYSA-N 482.235 5.728 50 10 JKGE COc1ccc([C@@H](Br)c2cc(Br)sn2)c(OC)c1Br 2120041302 UQMPGKUTKBODEV-SNVBAGLBSA-N 471.996 5.170 50 10 JKGE CC1(C)OCCC[C@]1(CBr)Cc1cc(Br)ccc1Br 2130469423 XCIKDZNXKQIFDP-OAHLLOKOSA-N 455.028 5.724 50 10 JKGE Cc1cc(Br)c(C)c([C@@H](Cl)c2cccc(OCc3ccccc3)c2)c1Br 2136380888 WWTRXESDSTWSEW-QFIPXVFZSA-N 494.654 7.736 50 10 JKGE COc1c(C)cc([C@H](Br)c2cccc(Br)c2Br)cc1C 2148752708 UYUOEQGYRMHMRK-AWEZNQCLSA-N 463.007 6.321 50 10 JKGE Clc1ccc(I)c(CN2CC3(CCC3)CC[C@@H]2CBr)c1 2152055006 AIQPLRYWJZDPAH-CQSZACIVSA-N 468.604 5.474 50 10 JKGE CCc1nn(-c2c(CCl)ccc(Br)c2Cl)c(CC)c1I 2154369540 WOWJEPYEJSOLSU-UHFFFAOYSA-N 487.994 5.756 50 10 JKGE CC(C)CO[C@@H](C)CC(CBr)(CBr)c1ccccc1Br 2165514859 ZSTVIUUNSOGOEU-ZDUSSCGKSA-N 471.071 5.928 50 10 JKGE ClCCc1nc2cc(Cl)c(Br)cc2n1-c1csnc1Br 2169012927 ZMJWGZRVLWRJNP-UHFFFAOYSA-N 455.990 5.442 50 10 JKGE BrC[C@H]1CN(Cc2cc(Br)ccc2Br)CCC12CCC2 2175147067 KJNHPNJQHDGYDF-ZDUSSCGKSA-N 466.055 5.599 50 10 JKGE O=S(=O)(c1cc(Cl)cc(CBr)c1F)N(Cc1ccccc1)C1CCCCC1 2179860215 OPQHHUWRUQVPJH-UHFFFAOYSA-N 474.823 5.898 50 10 JKGE CC1(C)CCCN(C(=O)c2c(Br)cccc2Br)[C@H]1CBr 2185813305 VUTHARVWJSZCLU-LBPRGKRZSA-N 468.027 5.237 50 10 JKGE COc1cc(Br)c(C(=O)N(Cc2ccccc2)[C@H](CBr)C(C)C)cc1OC 2189041411 AUSGQIHLVMNZED-GOSISDBHSA-N 499.243 5.528 50 10 JKGE Cc1cc(Br)c(C)c([C@H](Br)[C@H]2C[C@@H]3CC[C@H](C2)O3)c1Br 2201078271 MIVFLSBDNJLLCT-LSSIXWDNSA-N 467.039 6.222 50 10 JKGE Cc1nn(C)c2sc([C@@H](Br)c3ccc(Br)cc3Br)cc12 2203706647 RYCHIOCINPDQOP-ZDUSSCGKSA-N 479.035 5.953 50 10 JKGE Fc1ccc(CO[C@H](CBr)c2cccc(Br)c2)c(Br)c1 2206264726 HTLFQVOHOBJZIE-OAHLLOKOSA-N 466.970 6.004 50 10 JKGE CC(F)(F)CCC[C@@H](Br)c1cc(Br)c(Br)cc1F 2218602936 HVTWRUDKLRTGGE-MRVPVSSYSA-N 452.934 6.612 50 10 JKGE Cc1cc([C@@H](Br)c2c(Br)cc(C)c(Cl)c2C)c(Br)s1 2224312078 OTCCDWFYDGAEOM-GFCCVEGCSA-N 487.482 7.336 50 10 JKGE C[C@@H]1C[C@@H]2C[C@@H]2C[C@@H]1[C@@H](Br)c1cc(Br)c(Br)cc1F 2225634061 MYHDYBVWPCQHND-ZAYNJUCRSA-N 455.003 6.469 50 10 JKGE COc1c(Cl)cc(Br)cc1[C@@H](Br)c1scc(Br)c1C 2226125720 NPUFBBTZKYDDOF-LLVKDONJSA-N 489.454 6.728 50 10 JKGE Cc1cc(Br)c([C@@H](Cl)c2c(C)nsc2Br)c(C)c1Br 2227350491 XDMWKACCSOLTSC-GFCCVEGCSA-N 488.470 6.684 50 10 JKGE Cc1cc(Br)c([C@@H](Br)c2ccccc2Cl)c(C)c1Br 2227353088 RQLPHVQJLBXNKE-HNNXBMFYSA-N 467.426 6.966 50 10 JKGE COc1cc(Br)c([C@@H](Br)c2ccc(I)cc2)cc1C 2227712853 CZPXFMDWVGIZGY-HNNXBMFYSA-N 495.980 5.855 50 10 JKGE COc1c(Cl)cc(Br)cc1[C@@H](Cl)c1ccc(C)c(I)c1 2232834100 GZZGQFGGBMNKLA-AWEZNQCLSA-N 485.974 6.352 50 10 JKGE COc1cc(C)ccc1[C@H](Br)c1cc(Br)c(Br)cc1F 2233981832 NUESKHDQRYBPEP-HNNXBMFYSA-N 466.970 6.152 50 10 JKGE Cc1sc([C@H](Br)c2cc3nc(O)[nH]c3cc2Br)cc1Br 2234476368 XRAASJMAOOFAHA-GFCCVEGCSA-N 481.007 5.648 50 10 JKGE Cc1sc([C@H](Br)c2cc(Cl)c(Cl)c(Cl)c2Cl)c(Br)c1C 2237630355 UUBADSNYUBZOPZ-SECBINFHSA-N 497.894 8.225 50 10 JKGE COc1c([C@@H](Br)c2sc(Br)c(C)c2Br)csc1Cl 2256858209 FTEKAFDZAHEQOS-SSDOTTSWSA-N 495.483 6.789 50 10 JKGE CCCCO[C@@H]1[C@@H](Br)C[C@H]1Oc1cc(I)ccc1Cl 2272639393 PFDFWTDWPDYONX-ZLKJLUDKSA-N 459.549 5.045 50 10 JKGE CCC[C@H](C(C)C)[C@H](Br)c1c(F)cc(Br)c(F)c1Br 2272855232 KQQJHEVDIKUKNS-PELKAZGASA-N 462.998 6.998 50 10 JKGE CC1(C)C[C@@H]1CC[C@@H](Br)c1c(F)cc(Br)c(F)c1Br 2272855267 LEVAPGFGOQDQOG-JGVFFNPUSA-N 460.982 6.752 50 10 JKGE Brc1cc(Br)cc(C[C@@H](Br)C[C@@H]2CCC23CCC3)c1 2277966997 XKGUOECHUCQDAJ-QWHCGFSZSA-N 451.040 6.488 50 10 JKGE COc1cc(Cl)c([C@H](Br)c2c(F)cccc2I)cc1Cl 2282888587 PAFBMZRLMYKHDR-AWEZNQCLSA-N 489.937 6.230 50 10 JKGE COc1cc(F)c([C@@H](Br)c2cccc(Cl)c2Br)cc1Br 2283191187 ITOUOIIHWHTUAL-ZDUSSCGKSA-N 487.388 6.497 50 10 JKGE CCc1ncc2nc([C@@H](C)Cl)n(CC3(N(Cc4ccccc4)Cc4ccccc4)COC3)c2n1 2286685733 QXVWKFITJWMDEH-HXUWFJFHSA-N 476.024 5.160 50 10 JKGE Fc1cccc(Br)c1COc1c(Br)cc(Cl)cc1CBr 2289577145 YWAOLUQNFSFODX-UHFFFAOYSA-N 487.388 6.478 50 10 JKGE N#CC(=Cc1ccc(OCc2ccc(Cl)cc2Cl)c(Br)c1)C(=O)N1CCCCC1 2293798413 ZYNCPTBAYXSRSE-UHFFFAOYSA-N 494.216 6.254 50 10 JKGE CC(C)c1ccccc1NC=C(C#N)c1nc(-c2cc3cc([N+](=O)[O-])ccc3oc2=O)cs1 2295887866 RFEKMFBPGODHQG-UHFFFAOYSA-N 458.499 5.925 50 10 JKGE N#CC(=Cc1ccccc1I)c1nc(-c2ccc(Cl)cc2Cl)cs1 2297321297 PMCDKCGIMBAXQN-UHFFFAOYSA-N 483.161 6.786 50 10 JKGE CC(C)(F)[C@](C)(F)[C@H](Br)c1ccc(OCc2ccccc2)cc1Br 2299488656 IQXQKBASAXPUAL-IEBWSBKVSA-N 462.172 6.940 50 10 JKGE Cc1cc(Br)c([C@@H](Cl)c2ccc(OCc3ccccc3)cc2Br)s1 2299493220 KMHKZXNFTVEEAD-SFHVURJKSA-N 486.656 7.489 50 10 JKGE CCc1ccccc1NC(=O)C(C#N)=Cc1cc(Br)c(Sc2ccc(Cl)cc2)o1 2313565231 OOFOHRUIQPFATJ-UHFFFAOYSA-N 487.806 6.955 50 10 JKGE Fc1cccc(F)c1[C@H](Br)c1cc(Br)ccc1OCc1ccccc1 2314448613 JFPZKBSBYMJOIN-HXUWFJFHSA-N 468.135 6.791 50 10 JKGE N#CC(=Cc1ccc(-c2cc(Cl)cc(Cl)c2)o1)C(=O)Nc1ccccc1C(F)(F)F 2314571134 BOFFCJRQODBXAH-UHFFFAOYSA-N 451.231 6.818 50 10 JKGE C=CCN1C(=O)C(=Cc2cn(-c3ccccc3)nc2-c2cc3ccccc3o2)C(C)=C(C#N)C1=O 2314616999 OSCPFZLNJSHASU-UHFFFAOYSA-N 460.493 5.064 50 10 JKGE CCCc1sc(Br)cc1[C@H](Br)c1ccccc1OCc1ccccc1 2316171622 OWXWLNYUHRDEIE-OAQYLSRUSA-N 480.265 7.526 50 10 JKGE CC(C)(C)OC(=O)NC[C@](C)(CI)OCC1CCC(C(F)(F)F)CC1 2327995151 CEPORHKQGAUCEO-ZUEPYMLJSA-N 479.321 5.090 50 10 JKGE CC(C)C[C@H](NC(=O)C(C#N)=Cc1ccc(Br)cc1)C(=O)Nc1ccc2ccccc2c1 2329658752 PCBLVIDNWPLCTG-DEOSSOPVSA-N 490.401 5.679 50 10 JKGE Cc1nn(Cc2ccccc2)c2c1[C@@H](NC(=O)C(C#N)=Cc1ccc(Br)cc1)CCC2 2329659996 MKDJOSXYAVWMNZ-QFIPXVFZSA-N 475.390 5.103 50 10 JKGE COc1cccc(-c2csc(C(C#N)=C(O)Cc3ccc(OCc4ccccc4)cc3)n2)c1 2331246276 WCVLPNCSUSPIDO-UHFFFAOYSA-N 454.551 6.433 50 10 JKGE CC(C)(C)c1ccc(-c2csc(C(C#N)=C(O)Cc3ccc(Br)cc3)n2)cc1 2331331755 NMLZFSZSDHFMGZ-UHFFFAOYSA-N 453.405 6.905 50 10 JKGE CC[C@@H](C)[C@H](C(O)=C(C#N)c1nc(-c2ccc(C(C)C)cc2)cs1)N1C(=O)c2ccccc2C1=O 2331342944 HKXUIWHATIJYPK-MZNJEOGPSA-N 485.609 6.437 50 10 JKGE COc1c(Cl)cc(Cl)cc1-c1csc(C(C#N)=C(O)COc2ccc(C)c(C)c2)n1 2331362836 UHSKTUYIINQGFO-UHFFFAOYSA-N 461.370 6.614 50 10 JKGE CCOc1ccc(C=C(C#N)c2nc(-c3cc(OC)c(Cl)cc3OC)cs2)cc1OC 2331471189 UOEQXDZGOJXDRH-UHFFFAOYSA-N 456.951 5.952 50 10 JKGE Brc1ccc(OCc2ccccc2)c([C@@H](Br)[C@H]2C[C@H]3COC[C@H](C3)C2)c1 2336041372 NKQWNHYZWPWYIG-SUWCGCSTSA-N 480.240 6.527 50 10 JKGE Brc1cc(OCc2ccccc2)ccc1[C@H](Br)C[C@@H]1CCCCC12CC2 2336073149 SMBATPWDHSGRER-GHTZIAJQSA-N 478.268 7.825 50 10 JKGE FC(F)(F)[C@H]1OC2([C@H](Br)c3sc(Cl)cc3I)CC1C2 2338768638 SELKJANHKWQKFZ-QRUMDBKKSA-N 487.506 5.552 50 10 JKGE Cn1nc(Br)c(Br)c1[C@H](Br)Cc1ccc(Cl)c(F)c1 2338862996 DJJSRPCHSOBRPW-SSDOTTSWSA-N 475.381 5.416 50 10 JKGE Cc1cc(Br)c(F)c(Br)c1[C@H](Br)C[C@@H]1CC[C@@H]2C[C@@H]12 2339646038 NMIRAOASAHYJPJ-LMLFDSFASA-N 455.003 6.531 50 10 JKGE COc1c(Br)cc(C)c([C@H](Br)C[C@@H]2CC23CC3)c1Br 2339658876 MSOPGWWETFGYDR-NXEZZACHSA-N 453.012 6.155 50 10 JKGE CCc1ccsc1[C@@H](Br)c1c(C)cc(Br)c(F)c1Br 2339673814 FBCPTDVCPKQEDN-LBPRGKRZSA-N 471.027 6.767 50 10 JKGE Cl[C@@H](CCc1ccc(I)c(Br)c1)CN1CCCCC1 2349838673 WJQGQBPEWOPJKD-ZDUSSCGKSA-N 456.593 5.080 50 10 JKGE CCCOc1cccc([C@H](Br)c2cc(Br)ccc2OCc2ccccc2)c1 2361177541 KBXFWQLNPGAMCK-QHCPKHFHSA-N 490.235 7.301 50 10 JKGE O=C(c1cc(Br)c(Cl)s1)N1CC[C@H](Br)C[C@H]1C(F)(F)F 2361461184 RHGDGNWFUFOGOX-XNCJUZBTSA-N 455.521 5.094 50 10 JKGE Fc1cccc([C@H](CBr)OCc2cc(Br)cc(Br)c2)c1 2362240900 RRXQQPPIBLARRQ-HNNXBMFYSA-N 466.970 6.004 50 10 JKGE ClCc1csc(C2(COc3cc(Br)cc(I)c3)CC2)n1 2364268852 ZSAOCRLJLUHUHQ-UHFFFAOYSA-N 484.584 5.360 50 10 JKGE Clc1ccc(CN2C[C@@H]3CCCC[C@@]3(CBr)C2)c(I)c1 2366716891 YZQVHRXEWWUIBJ-XJKSGUPXSA-N 468.604 5.332 50 10 JKGE Clc1cc(Cl)cc(CC[C@@H](Br)c2ccc(Cl)cc2Br)c1 2366886409 DZNLFJQTFWXCCR-CQSZACIVSA-N 457.420 7.478 50 10 JKGE C[C@@H](COCc1ccc(I)c(Br)c1)c1nc(CCl)cs1 2377617371 USXSSGLGKLERSU-VIFPVBQESA-N 486.600 5.569 50 10 JKGE Clc1ccc(I)cc1CN1C[C@H]2CCC[C@@](CBr)(C2)C1 2380530554 DDVWFZMZMMVVAW-LRDDRELGSA-N 468.604 5.332 50 10 JKGE CCc1cc(Br)c(OC)c([C@H](Br)c2c(C)nsc2Br)c1 2381253014 FRTVLGUXXCZZBK-LBPRGKRZSA-N 484.051 6.032 50 10 JKGE CCc1cc(Br)c(OC)c([C@H](Br)c2cc(Cl)sc2Cl)c1 2381253772 JSILVHKHWRFVKM-LBPRGKRZSA-N 459.030 6.873 50 10 JKGE COc1ccc(C[C@@H]2S/C(=C(\C#N)C(=O)Nc3ccccc3Cl)N(c3ccccc3)C2=O)cc1 2336237 SYRMFWINOJYXLC-XCQFTPQJSA-N 489.984 5.414 50 10 JKGE CSc1sc(C)cc1[C@H]1C(C#N)=C(N)N(c2cccnc2)C2=C1C(=O)C[C@@H](c1ccccc1)C2 2480046 JSZYLJNPXONONP-UUOWRZLLSA-N 484.650 5.872 50 10 JKGE Cc1ccc(NC(=O)/C(C#N)=C\c2cc(Cl)ccc2OCc2ccc(C(=O)O)cc2)c(C)c1 34696471 HKGLAOFLWYXKIA-MTJSOVHGSA-N 460.917 5.780 50 10 JKGE Cc1cc(OCC(=O)N/N=C2\C=C(c3ccccc3)[C@@](O)(c3ccccc3)C2)ccc1C(C)C 34869297 CCJYMXCPTXOEHQ-AXQCZQBPSA-N 454.570 5.345 50 10 JKGE CC(C)(C)c1ccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)Cc4cccc5ccccc45)ccc32)cc1 38649811 RYZDQDWWHFVOMW-SSEXGKCCSA-N 488.587 6.504 50 10 JKGE COc1ccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)COc4cc(C)c(Cl)c(C)c4)ccc32)cc1 38650369 XVRLVZJSVHLJAR-RUZDIDTESA-N 490.943 5.168 50 10 JKGE CCCOc1cccc(C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@H]3c2cccc(Cl)c2)c1 38651236 SFTDFDDJHUZNON-DEOSSOPVSA-N 460.917 5.566 50 10 JKGE Cc1ccc(OCC(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@@H]3c2ccc(Cl)c(Cl)c2)cc1 38655727 UMASRQBGKWSRKI-XMMPIXPASA-N 481.335 5.504 50 10 JKGE Cc1ccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)COc4ccc(C(C)(C)C)cc4)ccc32)o1 38659300 VGLYRVZDQZUUED-RUZDIDTESA-N 458.514 5.088 50 10 JKGE CCCCC1CCC(C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@H]3c2ccc(Cl)c(Cl)c2)CC1 38688345 UMYYFNWXFXAQLK-SBSMMSGMSA-N 499.438 7.114 50 10 JKGE N#C/C(=C\c1ccc(-c2cc(C(F)(F)F)ccc2Cl)o1)C(=O)Nc1cccc2ccccc12 39884791 XJHYDJJNVLEWBU-FOWTUZBSSA-N 466.846 7.318 50 10 JKGE Cc1cc(C)cc(Oc2nc3c(C)cccn3c(=O)c2/C=C(\C#N)C(=O)Nc2cc(C)ccc2C)c1 39993051 FGGISHJBGXOPSH-PXLXIMEGSA-N 478.552 5.575 50 10 JKGE CCCOc1ccc(C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@@H]3c2c(Cl)cccc2Cl)cc1 40529636 RGZPXOAZGGKHDR-HSZRJFAPSA-N 495.362 6.220 50 10 JKGE Cc1ccc(NC(=O)c2oc3c(c2C)/C(=N/NC(=O)c2ccccc2O)CCC3)c(Br)c1 40826519 OHJCIQITGXFWDE-OVVQPSECSA-N 496.361 5.087 50 10 JKGE COc1cc(/C=N\NC(=O)CC[C@H](O)c2ccccc2)cc(Br)c1OCc1ccccc1 58886542 YTLJALQIOMNNRR-VPZZRGLESA-N 497.389 5.001 50 10 JKGE CCCn1c(C)cc(/C=C(C#N)\C(O)=N\c2cc(C(F)(F)F)ccc2Oc2cccc(OC)c2)c1C 97985825 QFXKQGDNJIKTQC-MOSHPQCFSA-N 497.517 7.530 50 10 JKGE CCOc1cc(/C=C(/C#N)C(=O)Nc2nc3ccccc3s2)ccc1OCc1cccc(C)c1 102443884 LWHZSRKWUKSYTN-STZFKDTASA-N 469.566 6.128 50 10 JKGE Cc1cc(Br)ccc1[C@H](Cl)c1cc(Br)sc1Br 109825152 GUBFLUYMRBJLPQ-NSHDSACASA-N 459.428 6.672 50 10 JKGE Cc1nc(CC(CBr)(CBr)c2ccc(Br)cc2)cs1 118671821 SJTKJPRWNQDDPL-UHFFFAOYSA-N 468.052 5.484 50 10 JKGE O=C(N[C@H]1c2ccccc2C[C@H]1Br)c1cc(Br)c(Br)s1 123756176 AQJLYWFWTSHLNF-SKDRFNHKSA-N 480.019 5.064 50 10 JKGE COc1cc(F)c([C@@H](Br)c2cc(Br)c(Br)s2)cc1OC 128563134 HRNQJOPIKVAYPG-GFCCVEGCSA-N 488.998 5.914 50 10 JKGE Cc1cc(Br)c([C@@H](Br)c2cccc(OC(F)F)c2)cc1Br 128770065 XEONPDDFAYOTKW-AWEZNQCLSA-N 484.960 6.606 50 10 JKGE COc1cc([C@H](Br)c2cc(Br)c(C)cc2Br)ccc1F 128778429 QQLOOQAHEZBLJV-HNNXBMFYSA-N 466.970 6.152 50 10 JKGE Fc1cc([C@H](Br)c2ccc(Br)c(Cl)c2)c(F)cc1Br 148979934 UWSBQMUBXKRRDS-CYBMUJFWSA-N 475.352 6.628 50 10 JKGE Fc1ccc([C@H](Br)c2ccc(Br)c(Cl)c2)cc1Br 148986470 AYMVRIOXHBLZLP-ZDUSSCGKSA-N 457.362 6.488 50 10 JKGE O=[N+]([O-])c1cc(Br)ccc1COc1ccc(Br)c(CBr)c1 162286024 ZXHLWBQTSGPSKS-UHFFFAOYSA-N 479.950 5.594 50 10 JKGE Cc1ccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)/C=C\c4ccc(C(C)(C)C)cc4)ccc32)cc1 205640561 MPIOMULAOMKZEF-PPGHNPIWSA-N 464.565 6.130 50 10 JKGE CC[C@@H](C)N1C(=O)C(C#N)=C(C)/C(=C/c2cn(-c3ccccc3)nc2-c2ccc(OC)c(F)c2)C1=O 214256577 ABTJFCITNQLMDY-VYZAVGSRSA-N 484.531 5.078 50 10 JKGE CCCCCOc1ccc(/C=C2\C(=O)N(Cc3ccc(C)cc3)C(=O)C(C#N)=C2C)cc1OCC 214381883 FGEYGZIQOCXLST-JLPGSUDCSA-N 472.585 5.755 50 10 JKGE CC(C)Oc1ccc([C@@H](Br)c2ccc(I)c(Cl)c2)cc1 232343242 XXXRBIRRPYDCQR-MRXNPFEDSA-N 465.556 6.216 50 10 JKGE CC(=NNC(=O)c1ccc(NC(=O)c2cccc([N+](=O)[O-])c2)cc1)c1ccc2ccccc2c1 252585243 HGXPGNRLYFVLJR-UHFFFAOYSA-N 452.470 5.154 50 10 JKGE CC(=O)Nc1cccc(C(C)=NNC(=O)c2ccc(COc3ccccc3-c3ccccc3)cc2)c1 254289285 GLBYZIBRKMMAOM-UHFFFAOYSA-N 477.564 6.045 50 10 JKGE CCN(CC)c1ccc(/C=C(\NC(=O)c2ccccc2)C(=O)NN=C(C)/C=C\c2ccccc2)cc1 254445200 WRMYWRFCBHNNIB-XMMFJHNFSA-N 480.612 5.509 50 10 JKGE C/C(C=NNC(=O)CSc1nnc(-c2ccc(C)cc2)n1-c1ccccc1)=C/c1ccco1 254501498 NCHYDMAUNMBSQW-VSRQWITRSA-N 457.559 5.133 50 10 JKGE Cc1ccc([C@@H](Br)c2c(C)cc(C)c(Br)c2C)c(Br)c1 380315431 XKVQVRKZEANTEP-QGZVFWFLSA-N 461.035 6.930 50 10 JKGE ClCc1cc(Br)cc(Br)c1OCc1ccc(Br)o1 393538174 UVGYOXWRHJYLQM-UHFFFAOYSA-N 459.359 5.885 50 10 JKGE Cc1cccc([C@H](Cl)c2cc(Cl)c(Cl)c(Cl)c2Cl)c1I 404899045 ZXRMAVGINYMSOX-JTQLQIEISA-N 480.387 7.541 50 10 JKGE COc1cc(NC(=O)c2cccc(NC(=O)Nc3ccc(SC#N)cc3)c2)cc(OC)c1OC 586732498 DFXDWCMALJNJPJ-UHFFFAOYSA-N 478.530 5.182 50 10 JKGE Clc1sccc1CC(CBr)(CBr)c1ccccc1Br 687949805 MRICHQKVXPQSLI-UHFFFAOYSA-N 487.482 6.434 50 10 JKGE COc1cc(Cl)c([C@H](Cl)c2scc(Br)c2Br)cc1OC 705448072 OZFILJGEXQPDMY-LBPRGKRZSA-N 461.002 6.272 50 10 JKGE COc1ccc([C@H](Cl)c2ccc(I)c(Br)c2)cc1Cl 721605888 TWXYZYNZLDCTRC-CQSZACIVSA-N 471.947 6.044 50 10 JKGE COc1cc(C)c(Br)cc1[C@@H](Cl)c1cccc(F)c1I 721697592 KWRNUQZEFURGMC-AWEZNQCLSA-N 469.519 5.838 50 10 JKGE O=C(CC[C@@H](O)c1ccccc1)NN=Cc1cc(-c2ccccc2)n(-c2ccccc2)c1-c1ccccc1 1084143987 XFLDIKHVZLQYJK-WJOKGBTCSA-N 499.614 6.775 50 10 JKGE O=C(COc1ccc2cc(Br)ccc2c1Br)NN=C/C=C/c1ccccc1 1084194024 UXPIHDFFISYSLE-UJNSYKDASA-N 488.179 5.559 50 10 JKGE CCOc1cc(C=NNC(=O)CSc2ccc(Cl)cc2)ccc1OCc1ccccc1F 1084281831 VPEPMVFOQYZSGA-UHFFFAOYSA-N 472.969 5.699 50 10 JKGE COc1cc(C=NNC(=O)CC[C@H](O)c2ccccc2)cc(Cl)c1OCc1ccccc1Cl 1084346180 UDZKMRSYAKPKTR-QFIPXVFZSA-N 487.383 5.545 50 10 JKGE CCC[C@@H](C)c1ccc(OCC(=O)NN=Cc2cn(-c3ccccc3)nc2-c2ccc(C)cc2)cc1 1084356838 SPSOUIFCPRULLF-HSZRJFAPSA-N 480.612 6.280 50 10 JKGE N#C/C(=C/c1ccc(OCc2ccc(Br)cc2)cc1)C(=O)Nc1cccc2ccccc12 1084501954 BXMOYARHFWPKSW-JWGURIENSA-N 483.365 6.727 50 10 JKGE Cc1cc(C=NNC(=O)c2cc3ccccc3cc2O)c(C)n1-c1ccc(Cl)c(Cl)c1 1084559427 QRRCFKMKGDLAHH-UHFFFAOYSA-N 452.341 6.024 50 10 JKGE O=C(NN=Cc1cccc(OCc2ccc(Cl)cc2Cl)c1)C(=O)Nc1cccc(Cl)c1 1084632809 OYTOCSZLRXXDEL-UHFFFAOYSA-N 476.747 5.315 50 10 JKGE Cc1ccc(C)n1-c1cc(Cl)cc(C(=O)N(NC(=O)Nc2cc(F)ccc2F)C(C)(C)C)c1 1088694303 JZJPJKNYGIDDTQ-UHFFFAOYSA-N 474.939 6.003 50 10 JKGE Cc1c(C(=O)Oc2ccc(-c3ccc(C#N)cc3)cc2)oc2c1C(=NNC(=O)c1ccncc1)CCC2 1772746343 UUHCFTUTZBUZGC-UHFFFAOYSA-N 490.519 5.211 50 10 JKGE COc1ccc(C(=O)NN=C2CCCc3oc(C(=O)Nc4ccc(Br)cc4)c(C)c32)cc1 1772746369 VBUOYGXZPQMAKZ-UHFFFAOYSA-N 496.361 5.082 50 10 JKGE Cc1c(C(=O)Nc2ccccc2C(F)(F)F)oc2c1C(=NNC(=O)c1ccccc1O)CCC2 1772751868 OPYGSRNQETTWAT-UHFFFAOYSA-N 471.435 5.035 50 10 JKGE CCOc1ccccc1C=NNC(=O)COc1ccc(-c2ccccc2)cc1Br 1772754247 FWTQZHPXGXZKIH-UHFFFAOYSA-N 453.336 5.044 50 10 JKGE N#CSc1ccc(NC(=O)c2ccnc(NC(=O)C(c3ccccc3)c3ccccc3)c2)cc1 1860506083 WBTUQSPKNHVOLA-UHFFFAOYSA-N 464.550 5.678 50 10 JKGE Cc1ccc(C)c(Cn2nc(-c3ccccc3)c3c2OC(N)=C(C#N)[C@H]3c2ccc(Cl)cc2)c1 1865684303 WCPIHPLJTRFAFA-XMMPIXPASA-N 466.972 6.087 50 10 JKGE CCCc1nn(Cc2cc(C)ccc2C)c2c1[C@H](c1cn(C)c3ccccc13)C(C#N)=C(N)O2 1865699161 MRHJWPXDSVGVQI-VWLOTQADSA-N 451.574 5.211 50 10 JKGE N#CC1=C(N)Oc2c(c(-c3ccccc3)nn2Cc2cccc(Cl)c2)[C@@H]1c1ccccc1O 1865707618 BFAAUJLJTHVUHW-JOCHJYFZSA-N 454.917 5.176 50 10 JKGE CCOC(=O)c1c(NC(=O)/C(C#N)=C/c2ccc(Br)cc2)sc2c1CC[C@H](C)C2 1866129305 MZPSCMVCKKFNFV-JMRXEAOASA-N 473.392 5.358 50 10 JKGE Cc1ccccc1CCCC(=O)N[C@@H](Cc1ccccc1)C(=O)Nc1ccc(SC#N)cc1 1867121430 JLQLNMUYRHDWLA-VWLOTQADSA-N 457.599 5.257 50 10 JKGE CCn1c(/C(C#N)=C/c2ccc(OCC(=O)Nc3ccc(C)cc3)c(OC)c2)nc2ccccc21 1872730935 MSVXGRLLMGYUFR-RCCKNPSSSA-N 466.541 5.455 50 10 JKGE COc1cc(C)c(-c2csc(/C(C#N)=C(O)/C=C/c3ccc(C(C)(C)C)cc3)n2)cc1C(C)C 1872753932 VFTTWMIAKFFBSY-KPHZFBBPSA-N 472.654 8.054 50 10 JKGE CCOc1ccc(OCC)c(-c2csc(/C(C#N)=C(\O)c3cccc(OCC(C)C)c3)n2)c1 1872755073 XGADNZUBHBFOOA-LVWGJNHUSA-N 464.587 6.592 50 10 JKGE CCOc1ccc(-c2csc(/C(C#N)=C(O)/C=C/c3ccc(OC)cc3OC)n2)c(OCC)c1 1872755474 PPMHWKCYYCROQU-GVMZUKKWSA-N 478.570 6.131 50 10 JKGE COc1ccc(-c2csc(/C(C#N)=C(\O)[C@@H](C)Oc3ccccc3C(C)C)n2)cc1Cl 1872757464 HMDGHAQUNIEARA-VKWHMPGMSA-N 454.979 6.856 50 10 JKGE COc1cc(/C=C(\C#N)c2nc(-c3ccccc3Cl)cs2)ccc1OCc1ccccc1 1872781194 XSDBBGJCBJIGAP-DEDYPNTBSA-N 458.970 7.115 50 10 JKGE CN(Cc1ccc(Br)cc1Br)C[C@@H](Cl)COCc1ccccc1 1916334705 JOEPPLRHDVZQSM-QGZVFWFLSA-N 461.625 5.468 50 10 JKGE FC(F)(F)Oc1cccc([C@H](Cl)c2sc(Br)cc2Br)c1 1922883693 NASAYUDFYKNTJR-JTQLQIEISA-N 450.501 6.500 50 10 JKGE Brc1cc(Br)c([C@H](Br)[C@]23CCCC[C@@H]2OCC3)s1 1922895742 YRHSAMNMYNKLLD-XDTLVQLUSA-N 459.041 6.058 50 10 JKGE Cc1c(Br)sc([C@@H](Cl)Cc2ccc(Br)cc2)c1Br 1922945652 ILFZRZADWFNJRB-JTQLQIEISA-N 473.455 6.867 50 10 JKGE Cc1ccc([C@@H](Br)c2sc(Br)c(C)c2Br)c(Cl)c1 1922955136 WOMALVPZBXJMGE-LLVKDONJSA-N 473.455 7.028 50 10 JKGE CCOc1ccc([C@@H](Br)c2c(Br)sc(Br)c2Cl)cc1 1923068805 WPTSTPHQRWJAGG-SNVBAGLBSA-N 489.454 6.810 50 10 JKGE Cl[C@H](c1c(Br)sc(Br)c1Br)[C@@H]1[C@H]2COC[C@H]21 1924605031 LLIFLAWZLMWJHL-MZEQXDKDSA-N 451.405 5.208 50 10 JKGE Fc1cccc(C[C@H](Br)c2c(Cl)sc(Br)c2Cl)c1F 1925590995 SYMQPMMZTFSWDF-LURJTMIESA-N 450.957 6.774 50 10 JKGE CCc1cc(Br)c([C@@H](Cl)c2cc(Br)sc2Br)s1 1942097269 HDZNJMLIQPNZIH-VIFPVBQESA-N 479.484 6.988 50 10 JKGE CCc1cc(Br)c([C@H](Br)c2cc(C)sc2Br)s1 1951016581 PZOZPXBMDYPHFE-SNVBAGLBSA-N 459.066 6.690 50 10 JKGE Clc1cccc(Cl)c1C[C@@H](Br)c1sccc1I 1998126626 VPNMBRPRGYHMJY-MRVPVSSYSA-N 461.977 6.338 50 10 JKGE C[C@@H]1CCN(Cc2ccccc2)CCN1c1c(CBr)ccc(Br)c1Cl 2036845151 OAYHCDNZYXYMKF-OAHLLOKOSA-N 486.679 6.098 50 10 JKGE Cc1c(Br)sc([C@@H](Br)C2CC(C(C)(C)C)C2)c1Br 2043033182 AKRKEOCKRTWZMN-AMUVOQDHSA-N 459.085 7.090 50 10 JKGE CCn1cc(Br)c([C@@H](Br)c2c(Cl)sc(Br)c2Cl)n1 2060855612 JAKQLYAFRCBAOA-LURJTMIESA-N 497.865 6.281 50 10 JKGE Cc1c([C@@H](Cl)c2cc(Br)ccc2Br)c(Br)nn1C 2067860649 PFIDZLQHHKRKJW-NSHDSACASA-N 457.391 5.344 50 10 JKGE Cc1c(Br)sc([C@@H](Br)C2(C(C)(C)C)CCC2)c1Br 2071923638 HDXLJDTWGMQLTC-LLVKDONJSA-N 459.085 7.234 50 10 JKGE O=C(c1cc(Br)sc1Br)N1CC[C@@H]2C[C@H](Br)CC[C@H]21 2087662883 FZZVCCVMRUZKBL-NQMVMOMDSA-N 472.040 5.051 50 10 JKGE CC1(C)C[C@H]1CCCOc1c(Br)cc(Br)cc1CBr 2088158872 UXPMSPUDGVGPSK-LLVKDONJSA-N 455.028 6.312 50 10 JKGE Cc1cc(Br)c([C@H](Br)C(C)(C)[C@H]2CCCO2)cc1Br 2093191857 BSCZKDDVIWKKIX-KGLIPLIRSA-N 455.028 6.161 50 10 JKGE Fc1cc(Cl)c(Br)cc1[C@H](Br)c1ccc(Br)c(Cl)c1 2097835593 TWNZUEAMIBUOBB-CYBMUJFWSA-N 491.807 7.142 50 10 JKGE CC1(C)C[C@H](n2c(CCl)nc3cc(I)ccc32)CN1Cc1ccccc1 2098282070 MFXKUXUIKBKVKS-KRWDZBQOSA-N 479.793 5.605 50 10 JKGE Clc1cccc(Cl)c1C[C@@H](Br)c1c(Cl)sc(Br)c1Cl 2104786173 BZQOIJRAUABWQP-ZCFIWIBFSA-N 483.867 7.803 50 10 JKGE Clc1ccc(Br)cc1COc1ccc(CBr)cc1Br 2110520025 VARJYCINKBQHJA-UHFFFAOYSA-N 469.398 6.339 50 10 JKGE Cc1cc(Br)c(CBr)c(N2C[C@H](C)N(Cc3ccccc3)[C@@H](C)[C@@H]2C)c1 2116826724 WHMDIIUFPKPJKF-BZSNNMDCSA-N 480.288 6.140 50 10 JKGE O=S(=O)(c1cc(Cl)cc(CBr)c1Cl)N(Cc1ccccc1)CC1CCC1 2123269300 QKJYNXYOILHPHF-UHFFFAOYSA-N 477.251 5.879 50 10 JKGE BrCc1cc(Br)cc(Br)c1OC[C@H]1[C@H]2[C@H]3C[C@@H]1C[C@H]32 2134440907 KCAAXUHHDPVWOD-JEWBNCFJSA-N 450.996 5.387 50 10 JKGE Cc1cc(Br)c(C)c([C@H](Br)[C@@H]2C[C@@H]3C[C@H]3CO2)c1Br 2136375078 RQXFMRBUFSPBOZ-PCVQNBPASA-N 453.012 5.689 50 10 JKGE Cc1cc(Br)c(C)c([C@@H](Br)c2ccc(Cl)cc2)c1Br 2136379452 KRTINFHVROBUNE-HNNXBMFYSA-N 467.426 6.966 50 10 JKGE CO[C@@H]1CC[C@H]1C[C@@H](Br)c1c(C)c(Br)cc(C)c1Br 2136380267 SWPRURJOUOUDJH-CYZMBNFOSA-N 455.028 6.080 50 10 JKGE C[C@@H]1CN(Cc2ccc(I)c(Cl)c2)CC[C@@H]1CCBr 2142942074 AIBBWWQLUCJWQO-YPMHNXCESA-N 456.593 5.188 50 10 JKGE COc1cc(F)c([C@@H](Br)Cc2ccccc2I)c(F)c1 2143867767 GXQOGLSCYDXAMY-NSHDSACASA-N 453.064 5.257 50 10 JKGE Cl[C@@H](c1ccccc1)c1nnc(-c2csc(Br)c2Br)s1 2150342280 UIKCWHKEYDTQRL-JTQLQIEISA-N 450.608 6.120 50 10 JKGE CN(C(=O)c1cc(Br)cc(Br)c1)C1(CBr)CCCCC1 2170161474 AZDQNSIIEBIMMY-UHFFFAOYSA-N 468.027 5.381 50 10 JKGE CCC[C@H]1CC[C@H]([C@H](Br)c2ccc(Br)c(C)c2Br)CC1 2203685186 JEKDAVXOAZKYMW-DCGLDWPTSA-N 467.083 7.563 50 10 JKGE COc1c(C)cc(Br)cc1[C@@H](Br)c1c(Br)sc(C)c1C 2206579213 QAZGVBZWEYJKBE-CYBMUJFWSA-N 483.063 6.691 50 10 JKGE COc1c(C)cc(Br)cc1[C@H](Cl)c1cccc(Br)c1Br 2206598519 NJAHBFULUVWDEB-CQSZACIVSA-N 483.425 6.619 50 10 JKGE O=C(c1ccc(Br)cc1Br)N1CCCC[C@H]1CCCBr 2206674611 KAGSMGDBZBJPAO-LBPRGKRZSA-N 468.027 5.381 50 10 JKGE CC[C@](C)(CCCC(C)C)O[C@@H]1CN(C(=O)OC(C)(C)C)C[C@@H]1I 2213740663 MAWREEYZYUIMNW-FRQCXROJSA-N 453.405 5.421 50 10 JKGE CCc1sc(Br)cc1[C@@H](Br)c1sc(C)c(Br)c1C 2218966775 ZWGONQUCJRAUEL-GFCCVEGCSA-N 473.093 6.998 50 10 JKGE CC1(C)CCC[C@H]([C@H](Cl)c2c(Br)sc(Br)c2Br)O1 2219703899 VCKRIOPHDHTRJB-MUWHJKNJSA-N 481.475 6.663 50 10 JKGE C[C@@H](C[C@@H](Br)c1c(Br)cc(Cl)c(Cl)c1Cl)C(C)(C)C 2224303495 XPJQHDZEDQTHCV-JGVFFNPUSA-N 451.457 7.918 50 10 JKGE Cc1cc(Br)c([C@H](Br)[C@@H]2CC[C@@H]3C[C@@H]3C2)c(C)c1Br 2227355974 OZNSXCBUQVQUCQ-DSZLRUIBSA-N 451.040 6.701 50 10 JKGE Cc1sc(Br)cc1[C@H](Br)c1c(F)cc(F)c(Br)c1F 2227804758 FBXNNSJDCZZHQD-JTQLQIEISA-N 478.953 6.483 50 10 JKGE C[C@H](C1CCCCC1)[C@@H](Br)c1c(Br)cc(Cl)c(Cl)c1Cl 2232529651 YGRKJZQJYQIODI-AMIZOPFISA-N 463.468 8.062 50 10 JKGE Fc1cc(Br)cc2c1nc(CCl)n2[C@H]1CCOC[C@@H]1OCc1ccccc1 2232918156 HMXPRODLLYAYCX-WMZOPIPTSA-N 453.739 5.224 50 10 JKGE Cc1cc(Br)c(C)c([C@H](Br)[C@@H]2OC[C@H]3CCC[C@@H]32)c1Br 2233180587 BURZAWNAYRMBAW-LZJQFABFSA-N 467.039 6.080 50 10 JKGE Fc1cc(Br)c(Br)cc1[C@@H](Br)c1cc2ccccc2s1 2233977036 SIFXTOKADNPDQJ-OAHLLOKOSA-N 479.006 7.050 50 10 JKGE COc1cc(C)c([C@@H](Br)c2sc(C)c(Br)c2C)cc1Br 2234464812 QYGXEFJSUJUWCR-CQSZACIVSA-N 483.063 6.691 50 10 JKGE Cc1cc(Br)c([C@H](Br)C[C@@H]2CCC[C@@H]3C[C@H]23)c(C)c1Br 2235607244 YTRXINZENVTWBR-UKTARXLSSA-N 465.067 7.091 50 10 JKGE Fc1ccc([C@H](Br)c2ccc3c(c2Br)CCO3)cc1Br 2238080874 BBBRYNRALPHINY-AWEZNQCLSA-N 464.954 5.770 50 10 JKGE Cc1ccc(I)c([C@@H](Cl)c2c(Br)cc(F)c(Cl)c2F)c1 2240999769 CQABEWFDGNHZGS-GFCCVEGCSA-N 491.928 6.622 50 10 JKGE Cc1sc([C@@H](Br)c2ccccc2OCc2ccccc2)c(Br)c1C 2246414183 QLZMFDMKGSYGJY-IBGZPJMESA-N 466.238 7.191 50 10 JKGE Clc1c(Br)sc(Br)c1[C@@H](Br)[C@]12COC[C@H](C1)C2 2250931368 KVFBIWCBNFKZCA-ZDRUMUKXSA-N 465.432 5.789 50 10 JKGE COc1ccc([C@@H](Cl)c2ccc(Cl)c(I)c2)c(Br)c1 2268282398 YRZGHRGSDBSNID-AWEZNQCLSA-N 471.947 6.044 50 10 JKGE COc1cc(OC)c([C@H](Br)c2cc(Br)co2)cc1Br 2278032340 QXSFWRRWNWKWJU-ZDUSSCGKSA-N 454.940 5.306 50 10 JKGE COc1cc(OCc2ccc(Br)cc2Br)ccc1CBr 2282823708 XPTRNOIOVZCEPJ-UHFFFAOYSA-N 464.979 5.694 50 10 JKGE CCCCCc1ccc([C@H](Br)c2ccc(Cl)c(I)c2)s1 2283578449 QEDCWOXYKWPWGQ-MRXNPFEDSA-N 483.640 7.223 50 10 JKGE Fc1cc(Cl)c([C@H](Br)Cc2c(Cl)cccc2Cl)cc1Br 2285956939 CGNCAGOFSJFEFV-SECBINFHSA-N 461.383 7.227 50 10 JKGE CC1([C@@H](Br)c2c(F)cc(Br)c(F)c2Br)CC2(CCC2)C1 2288345352 QLVYRRSZZNSIDF-ZDUSSCGKSA-N 472.993 6.896 50 10 JKGE Fc1cc(Br)c(F)c(Br)c1[C@H](Br)[C@@]12CCC[C@@H]1OCC2 2288358155 MUCOTXPUEFTUQF-QCZZGDTMSA-N 474.965 5.885 50 10 JKGE N#CC(=Cc1cn(CCOc2ccc(Br)cc2)c2ccccc12)C(=O)NCc1ccco1 2293532000 SVDYEAJRPDKSOF-UHFFFAOYSA-N 490.357 5.299 50 10 JKGE COc1ccc([C@@H](Br)Cc2ccc(Cl)c(F)c2)cc1I 2295289445 HWFBHVAQVKVWRY-NSHDSACASA-N 469.519 5.771 50 10 JKGE COc1cc(C=C(C#N)C(=O)Nc2cccc(C(=O)O)c2)ccc1OCc1ccc(Cl)cc1 2295459670 LRGZDVZRQLEOKY-UHFFFAOYSA-N 462.889 5.171 50 10 JKGE N#CC(=Cc1ccccc1I)c1nc(-c2ccc3c(c2)OCO3)cs1 2297321191 WKUQDQNEHZIQBL-UHFFFAOYSA-N 458.280 5.208 50 10 JKGE Cc1ccc(NC(=O)C(C#N)=Cc2cc(C)n(-c3ccc(OCc4ccc(Cl)cc4)cc3)c2C)cc1 2313568939 ZJIBMBYCOPBSGB-UHFFFAOYSA-N 496.010 7.181 50 10 JKGE Cc1ccc([C@@H](Br)c2ccc(OCc3ccccc3)cc2Br)c(C)c1 2314448500 IHFZXLTWCWCDQO-JOCHJYFZSA-N 460.209 7.129 50 10 JKGE N#CC(=Cc1ccc(-c2ccc(Br)cc2)o1)c1nc(-c2ccc([N+](=O)[O-])cc2)cs1 2314571137 BQJLQVJRDGUDKH-UHFFFAOYSA-N 478.327 6.805 50 10 JKGE C=CCNC(=O)C(C#N)=C1S[C@@H](Cc2ccc(Cl)cc2)C(=O)N1c1ccc(C(C)C)cc1 2314592949 DXPVBBBFDDEGMV-QFIPXVFZSA-N 466.006 5.192 50 10 JKGE CC1=C(C#N)C(=O)N(Cc2ccco2)C(=O)C1=Cc1ccc(-c2ccc(Cl)cc2Cl)o1 2314618460 NWZQTAHQLKAJEQ-UHFFFAOYSA-N 453.281 5.639 50 10 JKGE COc1cc(C=C(C#N)c2ccc(Cl)cc2)ccc1OC(=O)c1cc([N+](=O)[O-])c(C)c([N+](=O)[O-])c1 2314739862 ANNHJTBIUYSSOH-UHFFFAOYSA-N 493.859 5.757 50 10 JKGE Cc1cc(I)c(Oc2nc(Cl)c(CBr)s2)cc1Cl 2314959041 WQAKIEADMWTYAV-UHFFFAOYSA-N 478.964 6.050 50 10 JKGE Fc1c(Br)cc(Cl)c([C@H](Br)C[C@@H]2CC23CC3)c1Br 2315445390 LXXWJUABYALYEW-RNFRBKRXSA-N 461.394 6.630 50 10 JKGE Fc1cc(Br)c([C@@H](Br)c2cnsc2Br)c(F)c1Cl 2315621791 ORIHFJBUMUIDFJ-ZETCQYMHSA-N 482.369 6.084 50 10 JKGE CCCc1sc(Br)cc1[C@@H](Br)c1cccc(Br)c1 2316171964 QVWLZJLLBFQHSB-AWEZNQCLSA-N 453.037 6.710 50 10 JKGE Clc1cc(I)c([C@@H](Br)Cc2ccc(Cl)c(Cl)c2)s1 2316599586 SLHARPMQLVLLJC-ZETCQYMHSA-N 496.422 6.992 50 10 JKGE CCOc1ccc(C=CC(=O)Oc2cccc(C=C(C#N)c3ccccc3OC)c2)cc1OC 2320511303 QCPOOJYOYQDNCP-UHFFFAOYSA-N 455.510 5.785 50 10 JKGE N#CC(=Cc1ccccc1)C(=O)Nc1cccc(Nc2ncnc3ccc(Br)cc23)c1 2325309774 UIPZSYHEEPAWNW-UHFFFAOYSA-N 470.330 5.682 50 10 JKGE C[C@H](NC=C(C#N)C(=O)Nc1ccc(Cl)c(C(F)(F)F)c1)C12CC3CC(CC(C3)C1)C2 2325382608 APXCCANXYYUANP-QRYOHXEKSA-N 451.920 5.899 50 10 JKGE Brc1cccc(CN2CC[C@H]3C[C@@H](Br)CC[C@H]32)c1Br 2328746772 DGKMLJRTNYPOGU-VHRBIJSZSA-N 452.028 5.350 50 10 JKGE CCCOc1ccc(-c2csc(C(C#N)=C(O)C=Cc3ccc(OC(C)=O)c(OC)c3)n2)cc1 2331318371 DRFVTZDFTCFZDL-UHFFFAOYSA-N 476.554 6.039 50 10 JKGE COc1ccc(-c2csc(C(C#N)=C(O)c3c(Cl)ccc(Cl)c3OC)n2)c(C)c1C 2331362694 FZRSXELTQORUSL-UHFFFAOYSA-N 461.370 6.701 50 10 JKGE COc1cc(-c2csc(C(C#N)=C(O)c3ccc(Cl)cc3[N+](=O)[O-])n2)c(OC)cc1Cl 2331377286 GRWMWUFAKSTCEW-UHFFFAOYSA-N 478.313 5.992 50 10 JKGE COc1ccc(-c2csc(C(C#N)=C(O)c3ccc(N4CCOCC4)c([N+](=O)[O-])c3)n2)cc1Cl 2331399360 AOIQMCXRWZEARP-UHFFFAOYSA-N 498.948 5.167 50 10 JKGE CCOc1ccc(C=C(C(O)=C(C#N)c2nc(-c3ccc(Cl)s3)cs2)c2ccccc2)cc1 2331402010 DXADNGXBIMHHQV-UHFFFAOYSA-N 491.037 7.957 50 10 JKGE CCCOc1ccc(-c2csc(C(C#N)=Cc3ccc(Cl)c(Cl)c3)n2)cc1OCCC 2331437926 UHYXLYHYENWMRM-UHFFFAOYSA-N 473.425 7.759 50 10 JKGE CCCCCCCOc1ccc(-c2csc(C(C#N)=Cc3ccc(Cl)c(Cl)c3)n2)cc1 2331459730 PHZWTOIGQPGCDA-UHFFFAOYSA-N 471.453 8.530 50 10 JKGE CCCCCOc1ccc(C=C(C#N)c2nc(-c3ccc(OC)c4ccccc34)cs2)cc1 2331489346 UFGFFIPLMIVPBJ-UHFFFAOYSA-N 454.595 7.605 50 10 JKGE ClCc1ccc(Br)cc1OCc1cc(Br)cc(Br)c1 2337071532 SZBHFSMYIASVIU-UHFFFAOYSA-N 469.398 6.292 50 10 JKGE CCCc1sc(Br)cc1[C@@H](Br)c1ccc(Cl)cc1Br 2338020016 HZBUAXVQJIKZNS-AWEZNQCLSA-N 487.482 7.363 50 10 JKGE Cc1cc(Br)c(F)c(Br)c1[C@H](Br)[C@@H]1CCC[C@H]2C[C@H]21 2339679969 QYQSBAPUVKCLRV-DCJFZGGZSA-N 455.003 6.531 50 10 JKGE Cl[C@@H]1CC[C@H]2[C@@H](CCN2Cc2ccc(I)c(Br)c2)C1 2349852884 LUJYJDPPWPCIPC-ZOWXZIJZSA-N 454.577 5.036 50 10 JKGE CCCC[C@H](C)CC[C@@H](Br)c1c(Cl)cc(Br)c(F)c1Br 2362232126 KAUDVUHPAZFECG-VHSXEESVSA-N 493.480 8.047 50 10 JKGE Fc1c(Br)cc(Cl)c([C@H](Br)C2C[C@@H]3CCC[C@H]3C2)c1Br 2362232932 UATSSNDUTDAQDR-UVPNAGLESA-N 489.448 7.266 50 10 JKGE Fc1cccc(Cl)c1[C@H](Cl)c1c(Cl)cc(Br)c(F)c1Br 2362240177 OFBORGVLYDCDTQ-LBPRGKRZSA-N 465.346 7.125 50 10 JKGE CCCc1sc(Br)cc1[C@H](Br)c1cc2sc(C)cc2s1 2363259867 BCSCIIRPWJQEJE-HNNXBMFYSA-N 450.286 7.532 50 10 JKGE FC1(F)[C@H]2CCC[C@H]1CC([C@@H](Br)c1sc(Cl)cc1I)C2 2363877057 KRNGQYOYDFAOAH-HOTUBEGUSA-N 495.598 6.904 50 10 JKGE CCO[C@@H]1CC[C@H]([C@@H](Br)c2c(C)cc(Br)c(F)c2Br)C1 2365191101 LESVBOLQCKRNLK-OPQQBVKSSA-N 473.018 6.300 50 10 JKGE CCN(C[C@](C)(CBr)OCCCc1cc(Cl)cc(Cl)c1)C(=O)OC(C)(C)C 2366938317 XHEHXFSCBMLCAB-FQEVSTJZSA-N 483.274 6.353 50 10 JKGE CC(C)(C)[C@@H]1CC[C@H]1[C@@H](Br)c1c(Cl)cc(Br)c(F)c1Br 2369229914 KNCRIWXCNIAZQK-DNSOKLHBSA-N 491.464 7.512 50 10 JKGE Clc1ccc(I)cc1CN1CCC[C@@H]2CC[C@H](Br)C[C@@H]21 2380520881 BBWPENVIBXUXDF-FFSVYQOJSA-N 468.604 5.473 50 10 JKGE O=C(NN=Cc1c2ccccc2cc2ccccc12)c1ccccc1NS(=O)(=O)c1cccs1 3238117 PDYHQYUWAITPEU-UHFFFAOYSA-N 485.590 5.619 50 10 JKGE COc1ccc([C@H]2C(C#N)=C(N)OC3=C2C(=O)CC(C)(C)C3)c(CN2CCCc3ccccc32)c1 3671169 UONHVWZWGRXYJB-SANMLTNESA-N 469.585 5.099 50 10 JKGE O=C(N/N=C/c1ccc(OCc2ccccc2)cc1)c1ccc(NC(=O)C2CCCCC2)cc1 12487503 SNBYUKRJJXFOTJ-VUTHCHCSSA-N 455.558 5.548 50 10 JKGE CCCCC/C(=N\NC(=O)COc1ccc2ccccc2c1Br)c1ccccc1 12575925 FVEKPOFQBSCAMQ-YYADALCUSA-N 453.380 6.082 50 10 JKGE O=C(CSc1nnc(-c2cccs2)o1)N(/N=C/c1ccccc1)c1cccc(C(F)(F)F)c1 15333299 KPJUDZYNZLRSEP-LGJNPRDNSA-N 488.516 5.976 50 10 JKGE COc1cccc(/C=N/NC(=O)CSc2nc3ccccc3s2)c1OCc1ccc(Cl)cc1 32520785 IURDCVFEUQKNKC-LGJNPRDNSA-N 498.029 5.780 50 10 JKGE N#C/C(=C/c1cn(Cc2ccc(Cl)cc2Cl)nc1-c1ccccc1)c1nc2ccccc2[nH]1 33400374 RGGBXRRGTBAYGP-UNOMPAQXSA-N 470.363 6.846 50 10 JKGE N#C/C(=C/c1cccc(Cl)c1)c1nc(-c2cc3cc(Br)ccc3oc2=O)cs1 35393579 IXFBCZKTHVPEJI-NSIKDUERSA-N 469.747 6.397 50 10 JKGE CCNC(=O)/C(C#N)=C/c1cn(-c2ccccc2)nc1-c1cccc(OCc2ccccc2F)c1 35446214 BCFRZTRKSJMCDO-PXLXIMEGSA-N 466.516 5.300 50 10 JKGE CN(C)c1ccc(N2C(=O)CS[C@@H]2c2ccc(NC(=O)[C@@H](Cl)c3ccccc3)cc2)cc1 35928461 SPYLDYILZJGUQQ-UKILVPOCSA-N 466.006 5.450 50 10 JKGE N#CC1=C(N)Oc2cc(OC(=O)COc3cccc(Cl)c3)ccc2[C@@H]1c1ccccc1Cl 38651108 RVYLNSJKHYAECM-QHCPKHFHSA-N 467.308 5.196 50 10 JKGE COc1ccc(C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@@H]3c2ccc(Cl)cc2)cc1Cl 38687826 PDXURJNFIBHWME-JOCHJYFZSA-N 467.308 5.439 50 10 JKGE Cc1cc(C)c2c(C)c(C(=O)Oc3ccc4c(c3)OC(N)=C(C#N)[C@H]4c3ccc(C)o3)oc2c1 38688694 PXGIHJRVLQXLNN-DEOSSOPVSA-N 454.482 5.697 50 10 JKGE C=CCOc1cccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4ccc(OC)c(Cl)c4)ccc32)c1 38701109 PRTULSOOELRORW-RUZDIDTESA-N 488.927 5.351 50 10 JKGE CCCCOc1cc(/C=C(\C#N)c2nc(-c3cc4ccccc4oc3=O)cs2)ccc1OC 39885259 AFTZMDPMDVGABO-XDHOZWIPSA-N 458.539 6.168 50 10 JKGE Cc1c(C(=O)Oc2ccc(-c3ccc(C#N)cc3)cc2)oc2c1/C(=N/NC(=O)c1ccco1)CCC2 40814482 GWNFSICXOAOXGA-JBASAIQMSA-N 479.492 5.409 50 10 JKGE CC(C)(C)c1ccc(C(=O)N/N=C/c2c(OC(=O)c3ccc(Cl)cc3)ccc3ccccc23)cc1 48573297 OSQVIXKGAPASOP-FDAWAROLSA-N 484.983 6.774 50 10 JKGE CC(C)OC(=O)c1ccsc1NC(=O)/C(C#N)=C\c1c[nH]nc1-c1ccc(Br)cc1 96438743 HVWCUHKSAULDFL-ZROIWOOFSA-N 485.363 5.012 50 10 JKGE CCCCCCCCOc1ccc(/C=C2/C(=O)N(CC(C)C)C(=O)C(C#N)=C2C)cc1OC 101334848 DNRZTUZQCFQXFY-PXLXIMEGSA-N 452.595 5.683 50 10 JKGE N#C/C(=C/c1cccs1)c1nc(-c2cccs2)c(NC(=O)c2ccc(Cl)cc2)s1 102620365 KZNBUOUGPUUMOC-KAMYIIQDSA-N 454.001 6.903 50 10 JKGE COc1c(C)cc(Br)c(C)c1[C@H](Br)c1sccc1Br 125732149 VRVYSLRCNVVSHR-LBPRGKRZSA-N 469.036 6.383 50 10 JKGE COc1ccc([C@H](Br)c2c(F)cc(Br)cc2F)c(Br)c1 127655901 ZAZSFUVFOVYFHH-AWEZNQCLSA-N 470.933 5.983 50 10 JKGE FC(F)(F)c1ccccc1[C@H](Br)c1cc(Br)c(Br)s1 128269960 DLHYQNIUAGFIOH-JTQLQIEISA-N 478.953 6.776 50 10 JKGE Fc1ccc([C@@H](Br)c2cc(Br)c(Br)s2)c2ccccc12 128565032 BPNDDGMAIMMUCH-CQSZACIVSA-N 479.006 7.050 50 10 JKGE O=C(NC[C@@H](Br)c1ccccc1)c1cc(Br)ccc1Br 161216410 PHUWYHXCWOYDGJ-CQSZACIVSA-N 461.979 5.078 50 10 JKGE C[C@](CBr)(OCc1cccc(Br)c1)c1ccccc1Br 162548435 XZTHXXGXELKKQX-MRXNPFEDSA-N 463.007 6.039 50 10 JKGE CCCCCCCOc1ccc(/C=C2\C(=O)N(Cc3ccccc3)C(=O)C(C#N)=C2C)cc1OCC 214281615 ZIKVNXYNQFLNNK-BWAHOGKJSA-N 486.612 6.227 50 10 JKGE C[C@H]1CC[C@@H](CC(CBr)(CBr)c2cccc(Br)c2)O1 232063453 IIOOUXJYTXGAIC-FZMZJTMJSA-N 455.028 5.434 50 10 JKGE COc1cc(F)c(Br)cc1[C@@H](Br)Cc1cccc(Br)c1 234858906 NFKWXMCLTPFIPT-LBPRGKRZSA-N 466.970 6.038 50 10 JKGE O=C(O)[C@@H]1Nc2ccc3ccccc3c2[C@@H]2[C@H](Cl)[C@@H](Sc3ccccc3[N+](=O)[O-])C[C@@H]12 245232254 RWKZLLKUCHKAOS-RXPWAHTNSA-N 454.935 5.499 50 10 JKGE CC(C)CCC[C@@H](C)[C@@H]1CC[C@@H]2[C@H]3CC=C4C[C@@H](OC(=O)CCCl)CC[C@]4(C)[C@@H]3CC[C@]12C 253534600 NZCIAHIYIOJGGF-MMDNQHQTSA-N 477.173 8.569 50 10 JKGE CC[C@@H]1CCc2sc(C(=O)NN=C(C)c3ccc(OC)c(CSc4ncccn4)c3)cc2C1 254827280 OLJBBEUJGARQEM-QGZVFWFLSA-N 480.659 5.508 50 10 JKGE C=C(C)c1cccc(C(C)(C)NC(=O)NN=Cc2ccc(OCc3ccc(Cl)cc3)c(OC)c2)c1 256017166 SQEHQBMGIXRGNH-UHFFFAOYSA-N 492.019 6.529 50 10 JKGE Clc1cc([C@@H](Br)c2cc(I)cc3c2OCC3)c(Cl)s1 305969529 BJNQKRXPFQQDTL-NSHDSACASA-N 489.987 6.079 50 10 JKGE BrCc1cc(I)c2cc(I)sc2c1 306624003 XFUZOHZEQGLUIM-UHFFFAOYSA-N 478.918 5.005 50 10 JKGE N#C/C(=C(\Cl)c1cc(I)ccc1Br)c1cccs1 310606633 GGMZSERRPHXUJS-JLHYYAGUSA-N 450.526 5.746 50 10 JKGE Fc1ccc(Br)c([C@@H](Cl)c2scc(C(F)(F)F)c2Br)c1 312893005 WRFVEHSDRYVBHX-SNVBAGLBSA-N 452.492 6.759 50 10 JKGE C[C@@H](Cl)c1nc2cc(Br)c(F)cc2n1C[C@H]1CCN(Cc2ccccc2)C1 380170055 BAHOGHJCPFLYDX-ZBFHGGJFSA-N 450.783 5.760 50 10 JKGE Fc1cc(Br)c([C@@H](Br)c2ccc(Cl)c(Br)c2)c(F)c1F 398732678 MYMDUYDQGSXVIR-NSHDSACASA-N 493.342 6.767 50 10 JKGE CC[C@H](CC(F)(F)F)[C@H](Br)c1cc(Br)ccc1Br 402486451 NNKOZUSAXGIMCZ-HQJQHLMTSA-N 452.934 6.626 50 10 JKGE CC(C)(C)OC(=O)NCCN1CCCCC[C@H]1c1ccc(CCO[Si](C)(C)C(C)(C)C)cc1 616624980 JJLYEYOOCHOXKY-DEOSSOPVSA-N 476.778 6.693 50 10 JKGE CC(C)(C)[Si](C)(C)OCCN1CCO[C@H](c2cccc(CO[Si](C)(C)C(C)(C)C)c2)CC1 616665454 JOSOPSLDSRIYPV-DEOSSOPVSA-N 479.854 6.994 50 10 JKGE BrCc1cc(Br)cc(Br)c1OCCCOC1CCCC1 699590182 LXLYJANJBBCAMO-UHFFFAOYSA-N 471.027 5.835 50 10 JKGE C[C@H]1CN(Cc2ccccc2)C[C@H]1Cn1c(CCl)nc2ccc(F)c(Br)c21 708580924 CSNAIMYLKCQQJY-HOCLYGCPSA-N 450.783 5.445 50 10 JKGE Cc1ccccc1C(CBr)(CBr)C[C@@H](C)COCc1ccccc1 719446302 ZFNUKSNUFBTNHB-QGZVFWFLSA-N 454.246 6.266 50 10 JKGE C[C@]1(CBr)CCCCN1C(=O)c1scc(Br)c1Br 723008057 SORMXGYTBLGCEZ-GFCCVEGCSA-N 460.029 5.053 50 10 JKGE FC(F)(F)Sc1cc(CBr)c2sccc2c1I 725283647 IAUUQRWSSAIAES-UHFFFAOYSA-N 453.086 6.013 50 10 JKGE BrCCCCOc1ccc(N=Nc2ccc(OCCCCBr)cc2)cc1 1083680378 BZBMMDDPWRIVSU-UHFFFAOYSA-N 484.232 7.210 50 10 JKGE Cc1ccc(C)c(-n2c(C)c(Br)c(C=NNC(=O)CCSc3ccccc3)c2C)c1 1083901349 OZHONXMRDLZMCD-UHFFFAOYSA-N 484.463 6.106 50 10 JKGE CCOc1ccc([C@@H](O)CCC(=O)NN=Cc2ccc(OCc3cccc(F)c3)c(OCC)c2)cc1 1084423079 DVIDHPMJAOZVCT-VWLOTQADSA-N 494.563 5.166 50 10 JKGE Cc1cc(/C=C(\C#N)C(=O)N2CCN(c3ccccc3)CC2)c(C)n1-c1cccc(Br)c1 1084470341 IVGVPOUJUMGDKS-CJLVFECKSA-N 489.417 5.112 50 10 JKGE N#CC1=C(N)Oc2c(c(-c3ccccc3)nn2-c2cccc(Cl)c2)[C@@H]1c1ccc(Cl)cc1Cl 1865685033 CRMDOZUTJUGVFK-OAQYLSRUSA-N 493.781 6.718 50 10 JKGE COc1ccc(-c2nn(Cc3ccccc3Cl)c3c2[C@@H](c2cc(C)ccc2O)C(C#N)=C(N)O3)cc1 1865687056 IIRUWRJRYMQCSK-DEOSSOPVSA-N 498.970 5.493 50 10 JKGE CCCOc1ccc([C@H]2C(C#N)=C(N)Oc3c2c(CC)nn3-c2ccc(C)cc2)cc1OCC 1865691272 OEOLNAFNYGCUGK-DEOSSOPVSA-N 458.562 5.149 50 10 JKGE CCOc1ccc([C@@H]2C(C#N)=C(N)Oc3c2c(C(F)(F)F)nn3-c2ccccc2Cl)cc1 1865693707 LWOQLUVTQIGNQL-QGZVFWFLSA-N 460.843 5.161 50 10 JKGE CCCc1nn(-c2ccc(Cl)c(Cl)c2)c2c1[C@H](c1cccc(OC)c1)C(C#N)=C(N)O2 1865711849 JATOTVGPBKIOEV-HXUWFJFHSA-N 455.345 5.358 50 10 JKGE COCCc1nc(Nc2ccc(SC#N)cc2)cc(N2C[C@H](C)N(c3ccccc3)[C@@H](C)C2)n1 1868253976 ZUSOWEITLFAGFY-PMACEKPBSA-N 474.634 5.086 50 10 JKGE CC(C)[C@H]1c2ccccc2CCN1c1cc(Nc2ccc(SC#N)cc2)nc(-c2cccnc2)n1 1868565094 HQDNIFUQTVBEGQ-MHZLTWQESA-N 478.625 6.615 50 10 JKGE COc1c(Cl)cc(Cl)cc1-c1csc(/C(C#N)=C(\O)c2c(F)cccc2Cl)n1 1872754382 QDYYDXAKVIENSP-BOPFTXTBSA-N 455.725 6.868 50 10 JKGE CCOc1ccc(C/C(O)=C(\C#N)c2nc(-c3cc(OC)c(Cl)cc3OC)cs2)cc1 1872754767 HRYXJDHNWRJUME-JZJYNLBNSA-N 456.951 5.915 50 10 JKGE COc1c(Cl)cc(-c2csc(/C(C#N)=C(\O)COc3c(C)ccc(C)c3C)n2)cc1Cl 1872755763 DYPYXFZJOXKESV-SILNSSARSA-N 475.397 6.922 50 10 JKGE COc1cc(/C=C/C(O)=C(\C#N)c2nc(-c3cc(Cl)ccc3OC)cs2)ccc1OC(C)=O 1872758979 ZMOZJMIKMZOKNU-LWRQOURBSA-N 482.945 5.912 50 10 JKGE CC(C)[C@@H](CBr)N(Cc1ccccc1)Cc1sccc1I 1888202986 FQFYRSZBBAUKJA-MRXNPFEDSA-N 478.237 5.774 50 10 JKGE C[C@@H]([C@@H](Br)c1ccc(OCc2ccccc2)cc1Br)C(F)(F)F 1899881000 CTEHVXXVLYOECW-MEDUHNTESA-N 452.108 6.663 50 10 JKGE Cc1nsc(Br)c1[C@@H](Br)c1ccc(F)c(Br)c1F 1912931040 GQIGJAYBHRBKAF-QMMMGPOBSA-N 461.951 5.739 50 10 JKGE CC(C)[C@@H](CBr)N(Cc1ccccc1)Cc1c(F)ccc(Br)c1F 1915272785 YJGXRRLUJFLPSV-GOSISDBHSA-N 461.188 6.149 50 10 JKGE Cn1nc([C@@H](Br)c2sc(Br)cc2Br)c(Cl)c1Cl 1922892887 COFBVLACBMOFQY-RXMQYKEDSA-N 483.838 5.798 50 10 JKGE Cc1c(Br)sc([C@H](Cl)c2cccc(Br)c2Cl)c1Br 1922945716 JLOJZSOAGMKAQE-SNVBAGLBSA-N 493.873 7.326 50 10 JKGE FC(F)(CC1CC1)[C@H](Br)c1c(Br)sc(Br)c1Cl 1923073599 YINBLBYOIXOCNU-SSDOTTSWSA-N 473.402 6.798 50 10 JKGE CCCCCCC[C@H](Cl)c1c(Br)sc(Br)c1Br 1924584108 TXWSDWUMMZYFSO-QMMMGPOBSA-N 467.492 7.676 50 10 JKGE Cl[C@H](c1c(Br)sc(Br)c1Br)[C@H]1CC2CCC1CC2 1924591479 RVBINQPRFYNHTO-ATEBAYMDSA-N 477.487 7.142 50 10 JKGE Cl[C@H](Cc1ncccc1Br)c1c(Br)cccc1Br 1924886029 XNFXRMYAKKCCPX-LLVKDONJSA-N 454.387 5.892 50 10 JKGE Fc1ccc([C@H](Br)c2c(Cl)sc(Br)c2Cl)cc1Cl 1925586642 BNVXKOQVHFPIPQ-QMMMGPOBSA-N 453.385 7.094 50 10 JKGE Clc1sc(Cl)c([C@H](Br)c2ccc(OCc3ccccc3)cc2)c1Cl 1925601665 XEZNERDZGPZLRI-OAHLLOKOSA-N 462.623 7.772 50 10 JKGE Clc1sc(Br)c(Cl)c1[C@@H](Cl)c1cscc1OCc1ccccc1 1939526940 KBSLPZILWDNRMU-ZDUSSCGKSA-N 468.652 7.786 50 10 JKGE COCc1cc(Br)c([C@@H](Br)c2cscc2OCc2ccccc2)s1 1950321834 PMYOFCAYMPSTRN-KRWDZBQOSA-N 488.266 6.782 50 10 JKGE CCc1nc([C@H](Br)c2cc(Br)c(Cl)s2)c(Br)s1 2003567198 BQCCQBRLXRTXSI-SSDOTTSWSA-N 480.472 6.430 50 10 JKGE CCc1nc([C@H](Br)c2sc(C)cc2Br)c(Br)s1 2003571871 ZTAWUPNKSJVHTQ-QMMMGPOBSA-N 460.054 6.085 50 10 JKGE CC(C)(CC(F)F)[C@H](Br)c1c(Br)sc(Br)c1Cl 2015996584 GHZIGTJMFAQUKI-SSDOTTSWSA-N 475.418 7.044 50 10 JKGE Cc1cc(C(=O)N(Cc2ccccc2)[C@@H](CCl)C2CC2)ccc1I 2026130373 GFXYBCLADSUDPX-IBGZPJMESA-N 453.751 5.259 50 10 JKGE Brc1cccc(C[C@H](Br)c2c(Br)cccc2Br)c1 2033091985 XTAJKIRYKBNGEX-ZDUSSCGKSA-N 497.850 6.653 50 10 JKGE COc1ccc([C@H](Br)c2scc(C)c2Br)c(Br)c1 2039336402 SLLAAHDNUOWLDN-LBPRGKRZSA-N 455.009 6.074 50 10 JKGE Fc1ccc(I)cc1[C@H](Br)Cc1ccncc1Br 2050465149 QXLOPYRXPYWUSF-LLVKDONJSA-N 484.932 5.267 50 10 JKGE Brc1csc([C@@H](Br)c2csc3c(Br)cccc23)c1 2052437186 NMZRDZLIKWUQMV-LBPRGKRZSA-N 467.045 6.972 50 10 JKGE C[C@@H](NCCSSCCNC(=O)OC(C)(C)C)c1cc(F)ccc1Br 2061268242 QKQMFVMBXPRSIH-GFCCVEGCSA-N 453.443 5.145 50 10 JKGE CCCc1ccc([C@@H](Cl)c2ccc(Br)cc2I)s1 2086139805 TWYZHHBCXWXCIP-AWEZNQCLSA-N 455.586 6.396 50 10 JKGE Brc1cc(Br)cc([C@H](Br)c2ccc(CC3CC3)s2)c1 2087639303 CXFVHNPXONKTRC-HNNXBMFYSA-N 465.048 6.710 50 10 JKGE Fc1cc2c(cc1I)nc(CCCl)n2[C@H]1CC[C@H]1OCc1ccccc1 2100138394 NUGYCZWQUCTNCJ-PKOBYXMFSA-N 484.740 5.482 50 10 JKGE C[C@@H]1[C@@H](n2c(CCl)nc3cc(Cl)c(Br)cc32)CCN1Cc1ccccc1 2112701686 NBADHQRSFNPFTP-ACJLOTCBSA-N 453.211 6.027 50 10 JKGE Fc1cc(Oc2cc(Br)cc(F)c2CBr)ccc1Br 2114263497 ASTWZXJIXSCXDT-UHFFFAOYSA-N 456.906 6.177 50 10 JKGE BrCCN(Cc1ccsc1)Cc1c(Br)cccc1Br 2114660603 ZLNLUPPJTBRBHL-UHFFFAOYSA-N 468.052 5.670 50 10 JKGE CCn1cc(Br)c([C@H](Br)c2cc(Br)c(Cl)cc2F)n1 2124767829 GFQQGQQPYPRZDL-LLVKDONJSA-N 475.381 5.705 50 10 JKGE CC(C)(C)OC(=O)NCCSSCCN[C@H]1CN(Cc2ccccc2)C2(CCCCCC2)C1 2125294855 YAMGGNDOLRREEN-HSZRJFAPSA-N 493.783 5.850 50 10 JKGE Cc1c(Br)ccc([C@H](Br)C[C@@H]2CC(C)(C)CO2)c1Br 2138861102 GBJKAOFXRZVSOO-ZWNOBZJWSA-N 455.028 6.161 50 10 JKGE CCOc1ccc(Br)cc1[C@@H](Cl)Cc1ccccc1I 2143868668 QLRMLWWOHVIARN-AWEZNQCLSA-N 465.556 5.975 50 10 JKGE Fc1cc(F)c(F)c([C@@H](Br)c2cccc(Br)c2Br)c1F 2148751672 LFSYEVORRJQJOO-NSHDSACASA-N 476.887 6.252 50 10 JKGE CCOc1ccc(C)cc1[C@H](Br)c1c(Br)cccc1Br 2150493275 KKCCHWRHKJIWTG-INIZCTEOSA-N 463.007 6.403 50 10 JKGE COc1cc(C)c(Br)cc1[C@H](Cl)c1c(Br)cccc1Br 2150495190 VYTKKLSCRFSDOJ-HNNXBMFYSA-N 483.425 6.619 50 10 JKGE CC1(C)[C@H]2CC[C@@H](C2)[C@@]1(CBr)Cc1c(Br)cccc1Br 2150496370 VCTDNTHXUHCTKV-PRXAMGSTSA-N 465.067 6.592 50 10 JKGE COc1ccc([C@H](Br)c2scc(Cl)c2Cl)c(OC)c1Br 2152522943 LKCNOZRLAYOUFE-VIFPVBQESA-N 461.002 6.319 50 10 JKGE BrCc1cc(Br)c(O[C@H]2CCC3(CCCC3)C2)c(Br)c1 2155084552 AMCDYUQFCOKKBX-LBPRGKRZSA-N 467.039 6.598 50 10 JKGE C[C@H](Cl)c1nc2cc(Br)c(Cl)cc2n1[C@]1(C)CCN(Cc2ccccc2)C1 2160059352 XRMXUGUISAWAGI-LHSJRXKWSA-N 467.238 6.373 50 10 JKGE O=[N+]([O-])c1sc(CBr)cc1N1CCC[C@]2(CCN(Cc3ccccc3)C2)C1 2163313076 QJZXSEMXKBVSNX-HXUWFJFHSA-N 450.402 5.044 50 10 JKGE FC1(CC(CBr)(CBr)c2cccc(Br)c2)CCCCC1 2165909251 TZUFYFJWFLIGHM-UHFFFAOYSA-N 471.046 6.539 50 10 JKGE Fc1cc(Br)cc(N2CC[C@H]3[C@@H](CCCN3Cc3ccccc3)C2)c1CCl 2170691137 HVPXJISXCYBCBJ-UWJYYQICSA-N 451.811 5.818 50 10 JKGE C[C@@H]1CCC[C@]12[C@@H](Cl)C[C@H]2Oc1c(Br)cc(Br)cc1Br 2173617954 FXBJNSXGFIDIAA-BTNBEGNRSA-N 487.457 6.539 50 10 JKGE CC(C)(C)OC(=O)N1CCN(CCCCCCCCCBr)[C@H](C(F)(F)F)C1 2186685896 YBTNTGBBQWYVGD-INIZCTEOSA-N 459.391 5.596 50 10 JKGE Cc1cc(Br)c(CBr)c(N(C)[C@@H]2C[C@@H]3C[C@@H](OCc4ccccc4)C[C@@H]32)c1 2190536163 CLHHHRKRJGVUIY-QPXQOZNCSA-N 493.283 6.473 50 10 JKGE Cc1cc(Br)c(C)c([C@@H](Br)c2ccc([N+](=O)[O-])o2)c1Br 2201068234 DTHZRRJKKSCBTJ-ZDUSSCGKSA-N 467.939 5.814 50 10 JKGE Brc1ccc([C@@H](Br)[C@H]2COc3ccccc3O2)c(Br)c1 2203684446 HCHYHQUFGXZLCB-HUUCEWRRSA-N 462.963 5.488 50 10 JKGE COc1c(Br)cc(C)cc1[C@H](Br)c1cc(Cl)ccc1Br 2203829584 KNEGNEOLHUQENU-CQSZACIVSA-N 483.425 6.666 50 10 JKGE Clc1cc(CN2CCCC23CCC(Br)CC3)ccc1I 2208044775 NWFBTRFMRWPNQL-UHFFFAOYSA-N 468.604 5.617 50 10 JKGE Fc1cc(F)c(C[C@@H](Br)c2ccccc2Br)c(Br)c1 2225599273 MIVYWCMQTBTCRS-CYBMUJFWSA-N 454.934 6.169 50 10 JKGE Cc1c(Br)sc([C@H](Br)c2c(F)cc(Br)cc2F)c1C 2225850075 WCJVZVNENMREDW-LLVKDONJSA-N 474.990 6.652 50 10 JKGE COc1c(C)cc(Br)cc1[C@H](Br)c1scc(Br)c1C 2226127593 XLABJEOYTUXGAE-LBPRGKRZSA-N 469.036 6.383 50 10 JKGE Brc1cc([C@H](Br)c2ccc([C@@H]3CCOC3)s2)c(Br)s1 2231738161 KBWOCWMDWSNHLW-KRTXAFLBSA-N 487.076 6.323 50 10 JKGE Fc1cc(Br)cc2c1nc(CCl)n2C[C@@H]1CCCCN1Cc1ccccc1 2232927639 JVZCTRYUHYIARZ-KRWDZBQOSA-N 450.783 5.731 50 10 JKGE CCC(CC)([C@@H](Br)c1cc(Br)c(Br)cc1F)C(F)(F)F 2233977591 WIHSBKAHIUATGR-NSHDSACASA-N 484.951 7.155 50 10 JKGE Cc1sc([C@H](Br)c2c(Br)cc(F)c(F)c2F)c(Br)c1C 2237629790 NDVVVGOZLAIUPC-SNVBAGLBSA-N 492.980 6.792 50 10 JKGE CC(C)(C)OC(=O)N1CCC[C@](CI)(OCC23CC4CC(CC(C4)C2)C3)C1 2240698139 ILIYQSGFHNHZFN-KORFMFPHSA-N 489.438 5.424 50 10 JKGE COC1([C@@H](Br)c2cc(Br)sc2Br)CC(CF)C1 2247517708 IZBHLIPUWDKMDJ-CJPHDETBSA-N 450.993 5.474 50 10 JKGE CCc1cc([C@H](Br)c2c(Br)cnn2CC)sc1Br 2255973642 QKRYFRWSFLWGJH-JTQLQIEISA-N 457.029 5.536 50 10 JKGE COc1c(Cl)cc(Br)cc1[C@@H](Br)c1cc(Br)co1 2258116123 FKDLDTGSCUUQRP-LLVKDONJSA-N 459.359 5.951 50 10 JKGE Fc1cc(Br)c(F)c(Br)c1[C@H](Br)CC1CC(F)C1 2260005108 DQANHVTWUNUQQV-KPGICGJXSA-N 450.918 6.064 50 10 JKGE COc1cc(C)c(Br)c(C)c1[C@H](Cl)c1csc(I)c1 2269604235 MGKIXCOBFCIIRT-CQSZACIVSA-N 471.585 6.069 50 10 JKGE Clc1ccc([C@@H](Br)Cc2cc(Br)cc(Br)c2)c(Cl)c1 2277885729 QNUISZRFNJXSOZ-ZDUSSCGKSA-N 487.844 7.197 50 10 JKGE COc1cc(OC)c([C@@H](Cl)c2cc(Br)c(Br)s2)cc1Cl 2279147832 ZESITADLKAPLBX-GFCCVEGCSA-N 461.002 6.272 50 10 JKGE COCCOc1ccc([C@H](Br)c2cc(Br)co2)cc1Br 2285990410 WIJOEKNIAGYKOF-AWEZNQCLSA-N 468.967 5.314 50 10 JKGE C=CC[C@@]1(CBr)CCN(C(=O)c2c(Br)cccc2Br)C1 2287755609 YSPZRPBUMFPZAI-HNNXBMFYSA-N 466.011 5.015 50 10 JKGE Fc1cc(Br)c(F)c(Br)c1[C@H](Br)[C@H]1[C@H]2CCCCC[C@H]21 2288351875 DVEHMOOQOAULLG-LVNATWPUSA-N 472.993 6.752 50 10 JKGE COc1cc(NC=C(C#N)c2nc(-c3cccc(Br)c3)cs2)c(OC)cc1Cl 2295891536 HRAXNKLFCKQQDT-UHFFFAOYSA-N 476.783 6.220 50 10 JKGE Cc1ccc(NC(=O)C(C#N)=C2S[C@H](Cc3cccc(Cl)c3)C(=O)N2c2ccc(C)cc2)cc1 2296835052 SEZIVLBQZWMZGV-XMMPIXPASA-N 488.012 6.022 50 10 JKGE N#CC(=Cc1cn(Cc2ccc(Cl)cc2Cl)nc1-c1ccccc1)c1nc2ccccc2[nH]1 2297322226 RGGBXRRGTBAYGP-UHFFFAOYSA-N 470.363 6.846 50 10 JKGE FC(F)C(F)(F)C[C@H](Br)c1ccc(OCc2ccccc2)cc1Br 2299489451 PKBMIIRRQXOAMZ-HNNXBMFYSA-N 470.098 6.755 50 10 JKGE Brc1cc(OCc2ccccc2)ccc1[C@H](Br)[C@@]12CCC[C@@H]1CC2 2299494230 HQNBVGFZFZZTMB-TYCQWZJGSA-N 450.214 7.044 50 10 JKGE Brc1cc(OCc2ccccc2)ccc1[C@H](Br)[C@@H]1CCC2(CC2)C1 2299508521 JZERBHWNLAWPMI-OXQOHEQNSA-N 450.214 7.044 50 10 JKGE CC[C@@H](CC(F)(F)F)[C@@H](Br)c1sc(Cl)cc1I 2300996935 BGRGHIUOXFDOPP-YLWLKBPMSA-N 461.512 6.421 50 10 JKGE N#CC(=Cc1cn(Cc2ccc3ccccc3c2)c2ccccc12)C(=O)Nc1cccc(Cl)c1Cl 2313570993 KXKPFUYBGIBYDF-UHFFFAOYSA-N 496.397 7.695 50 10 JKGE COc1cc(C=C(C#N)C(=O)Nc2cc([N+](=O)[O-])ccc2Cl)ccc1OCc1ccccc1F 2313676704 VKDHOXRPINKNRL-UHFFFAOYSA-N 481.867 5.521 50 10 JKGE CSC1CC(COc2c(Br)cc(CBr)cc2Br)C1 2314287089 GXPZVCPHQLKJAO-UHFFFAOYSA-N 459.041 5.627 50 10 JKGE N#CC(=Cc1ccc(-c2ccc([N+](=O)[O-])cc2Cl)o1)c1nc(-c2ccc3ccccc3c2)cs1 2314456993 PKCSHKGUDBBHMB-UHFFFAOYSA-N 483.936 7.849 50 10 JKGE CSc1ccc([C@H](Br)c2ccc(OCc3ccccc3)cc2Br)cc1 2314500224 LAPLJPVJRZUMLF-NRFANRHFSA-N 478.249 7.234 50 10 JKGE COc1ccc(N2C(=O)[C@H](Cc3ccc(C)cc3)SC2=C(C#N)C(=O)Nc2ccccc2)cc1 2314591821 FOXZQROMHUATGK-DEOSSOPVSA-N 469.566 5.069 50 10 JKGE C=CCN1C(=O)C(=Cc2cn(-c3ccccc3)nc2-c2ccc(OCC)cc2C)C(C)=C(C#N)C1=O 2314616635 GDJGUFJWOKJZLV-UHFFFAOYSA-N 478.552 5.025 50 10 JKGE CC1=C(C#N)C(=O)N([C@@H](C)c2ccccc2)C(=O)C1=Cc1ccc(-c2cccc(Cl)c2Cl)o1 2314619086 ZOGCHBFEPNXSDJ-INIZCTEOSA-N 477.347 6.607 50 10 JKGE N#CC1=C(N)Oc2cc(OC(=O)C=Cc3ccccc3Cl)ccc2[C@@H]1c1ccc([N+](=O)[O-])cc1 2314634051 GPNZVKRGCQUFTB-DEOSSOPVSA-N 473.872 5.085 50 10 JKGE COc1cc(C=C(C#N)c2ccc(Cl)cc2)ccc1OC(=O)C=Cc1ccccc1Cl 2314720446 OVTLVAICHKVJIN-UHFFFAOYSA-N 450.321 6.685 50 10 JKGE Clc1cc(I)c([C@H](Br)[C@H]2CCCCC23CCC3)s1 2316607993 XIALIRPOTZFMDU-BXKDBHETSA-N 459.618 6.803 50 10 JKGE C[C@H]1C[C@H]2C[C@]([C@@H](Cl)c3c(Br)sc(Br)c3Br)(C2)O1 2319926242 NSCKYNPKKUYSGI-UWZHDKSYSA-N 479.459 6.273 50 10 JKGE N#CC(=CNc1cc(C(F)(F)F)cc(C(F)(F)F)c1)C(=O)Nc1cc([N+](=O)[O-])ccc1Cl 2325255359 MURQPEFLCKFGCZ-UHFFFAOYSA-N 478.736 5.744 50 10 JKGE COc1ccc(OC)c(CC(O)=C(C#N)c2nc(-c3ccc(-c4ccccc4)cc3)cs2)c1 2331231619 JHFVOPYSMDEGKH-UHFFFAOYSA-N 454.551 6.530 50 10 JKGE COc1ccc(C)cc1-c1csc(C(C#N)=C(O)c2ccc3c(c2)C(=O)N(CC(C)C)C3=O)n1 2331323055 ZCCQAKQOQXJGCU-UHFFFAOYSA-N 473.554 5.329 50 10 JKGE COc1cc(OC)c(OC)cc1C=C(C#N)c1nc(-c2ccc(-c3ccccc3)cc2)cs1 2331414250 QNRKMVBIDVMNAZ-UHFFFAOYSA-N 454.551 6.567 50 10 JKGE Cc1cc(Br)c([C@H](Br)[C@H]2C[C@@H]3CC[C@H]2O3)c(C)c1Br 2333708233 FAGKEUUPFMLRGS-LFIJZLDSSA-N 453.012 5.832 50 10 JKGE Fc1ccc(C[C@@H](Br)c2ccc(OCc3ccccc3)cc2Br)cc1F 2336049998 HOTHFDVEEFHRQL-GOSISDBHSA-N 482.162 6.985 50 10 JKGE CCCc1sc(Br)cc1[C@H](Cl)c1cc(Cl)ccc1I 2338023616 JJRJDYNAZYKHAI-CQSZACIVSA-N 490.031 7.049 50 10 JKGE COc1ccc([C@@H](Br)c2c(Br)c(Br)nn2C)c(Cl)c1 2338859802 HYYZFPXTRXYCEZ-SECBINFHSA-N 473.390 5.091 50 10 JKGE BrC[C@@]12CCC[C@@H]1CN(Cc1ccc(I)c(Br)c1)C2 2349839247 GADQIESKNQASKH-IUODEOHRSA-N 499.028 5.051 50 10 JKGE Fc1cc(Cl)c(Br)c(Cl)c1[C@H](Br)[C@H]1CC[C@@H]2[C@H]1C2(F)F 2360485083 YHUYEBGYOMGRDY-FBFBHZLOSA-N 452.923 6.622 50 10 JKGE CCCc1sc(Br)cc1[C@@H](Cl)c1cc(F)c(Br)cc1Cl 2363256260 MZERJRQRCWKUNG-AWEZNQCLSA-N 461.021 7.346 50 10 JKGE Cc1ccc([C@@H](Br)c2c(C)cc(Br)c(F)c2Br)c(Cl)c1 2365187243 YHOGRYLPEDWYSL-CYBMUJFWSA-N 485.416 7.105 50 10 JKGE Cc1cc(Br)c(F)c(Br)c1[C@@H](Br)C[C@H]1CCCOCC1 2365188000 GUJLNTLLKVSHDT-QWRGUYRKSA-N 473.018 6.302 50 10 JKGE Cc1cc(Br)c(F)c(Br)c1[C@H](Br)[C@]12CCCC[C@@H]1CC2 2365195584 CVXHQRDILYXKCD-VFVAKGGASA-N 469.030 7.066 50 10 JKGE Cc1cc(Br)c(F)c(Br)c1[C@@H](Br)C1(C(C)(C)C)CCC1 2365225596 LGLYQOKFMVUGMD-CQSZACIVSA-N 471.046 7.312 50 10 JKGE COc1cc([C@H](Br)c2cc(Br)cc(Cl)c2OC)sc1Cl 2365828276 HEUPFNDTFWFFCW-LLVKDONJSA-N 461.002 6.319 50 10 JKGE Clc1ccc(CN2CC3(CCC3)CC[C@@H]2CBr)c(I)c1 2366708650 CIJBKRUSVJJGTL-CQSZACIVSA-N 468.604 5.474 50 10 JKGE Clc1cc(Cl)cc(CC[C@@H](Cl)c2c(Cl)sc(Br)c2Cl)c1 2366791647 BZYKSFBMZFIQRD-SECBINFHSA-N 453.443 8.037 50 10 JKGE CCCC1CCC(CBr)(OCc2cccc(I)c2)CC1 2367344398 OEHDSGRNMFBJIL-UHFFFAOYSA-N 451.186 5.932 50 10 JKGE CCOc1ccc([C@@H](Br)c2ccc(F)cc2I)c(F)c1 2367462275 XCBQRTFAROZYJO-OAHLLOKOSA-N 453.064 5.452 50 10 JKGE ClCc1cc(Cl)c(OCc2cc(I)ccc2Cl)c(Cl)c1 2380522751 OVDTYEPAWFGUEQ-UHFFFAOYSA-N 461.941 6.569 50 10 JKGE CCc1ccc([C@@H]2C(C#N)=C(N)N(c3ccc(Br)cc3)C3=C2C(=O)CCC3)s1 6284114 ZQJWZKTZJKFCRC-FQEVSTJZSA-N 454.393 5.378 50 10 JKGE CCc1ccc([C@H]2C(C#N)=C(N)N(c3ccc(C)c(Cl)c3)C3=C2C(=O)CC(C)(C)C3)s1 6284160 YRTNHDIVQRDQCP-JOCHJYFZSA-N 452.023 6.213 50 10 JKGE O=C(NNC(=O)c1sc2ccccc2c1Cl)c1ccc(OCCc2ccccc2)cc1 14041578 OHDVDXBVQDPLRW-UHFFFAOYSA-N 450.947 5.251 50 10 JKGE COc1ccc(/C(C#N)=C\c2cccc(OC(=O)c3cc(C(F)(F)F)cc(C(F)(F)F)c3)c2)cc1 31903165 GPTDBYTVKUPYEU-NVMNQCDNSA-N 491.387 7.016 50 10 JKGE Cc1nn(-c2ccc(F)cc2)c(Cl)c1/C=C(/C#N)c1nc(O)c2c3c(sc2n1)C[C@@H](C)CC3 33736756 SXQDLEQHMPLDCF-GVIGZQTCSA-N 479.968 5.873 50 10 JKGE CCCOc1cccc(C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@@H]3c2ccccc2Cl)c1 38651071 QLLYDRUBAGGSLD-XMMPIXPASA-N 460.917 5.566 50 10 JKGE CC(C)COc1ccc(C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@H]3c2ccc([N+](=O)[O-])cc2)cc1 38654821 RKAXFVFMXTZETC-VWLOTQADSA-N 485.496 5.067 50 10 JKGE C=CCOc1ccc(C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@H]3c2cccc(OCC=C)c2)cc1 38684567 PYAMVQOCFGZOGE-MHZLTWQESA-N 480.520 5.254 50 10 JKGE Cc1c(C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@H]3c2ccc(Cl)cc2Cl)oc2ccccc12 38688278 HYTOUYKHYVPNRK-QHCPKHFHSA-N 491.330 6.485 50 10 JKGE N#C/C(=C\c1ccc(-c2ccc(Cl)cc2Cl)o1)c1nc(-c2cccc([N+](=O)[O-])c2)cs1 39885064 XCSRFGDZDGUOQK-NTEUORMPSA-N 468.321 7.349 50 10 JKGE Cc1ccccc1NC(=S)NNC(=O)c1ccc(-c2ccc(Cl)c(C(F)(F)F)c2)o1 39892529 STUMICSZMQVZQK-UHFFFAOYSA-N 453.873 5.559 50 10 JKGE COc1cc(NC(=O)/C(C#N)=C/c2ccc(-c3ccc(Br)cc3C)o2)ccc1Cl 58832800 IZXXPDKJYQAZDS-GXDHUFHOSA-N 471.738 6.225 50 10 JKGE COc1cc(/C=N\NC(=O)CC[C@@H](O)c2ccccc2)ccc1OCc1ccc(Br)cc1 58887727 XPVUWTBECDUAQK-IEZSBWOXSA-N 497.389 5.001 50 10 JKGE CCOc1cc(/C=C(\C#N)C(=O)NCc2ccccn2)ccc1OCc1cccc(C(F)(F)F)c1 58978633 JVBFTNOGCIIXSF-UDWIEESQSA-N 481.474 5.301 50 10 JKGE O=C(CSCc1ccc(Cl)cc1)N/N=C1\C(=O)N(C/C=C/c2ccccc2)c2ccccc21 59153278 BNKOMPZZBXFFQO-IJMNQNHLSA-N 476.001 5.154 50 10 JKGE CCOc1cc(/C=N/NC(=O)c2cc3ccccc3o2)cc(Cl)c1OCc1ccc2c(c1)OCO2 59304015 QYHABBLUQWGNLD-XODNFHPESA-N 492.915 5.557 50 10 JKGE O=C(N/N=C(/CSc1nc2ccccc2[nH]1)c1ccc2ccccc2c1)c1cccc([N+](=O)[O-])c1 59460589 SKJDSXCTGUGCAU-OLFWJLLRSA-N 481.537 5.551 50 10 JKGE CCOc1ccc2nc(Sc3ccc(/C=N/NC(=O)c4cc5ccccc5cc4O)o3)sc2c1 59506470 KWWGXWNGCQWXQN-VULFUBBASA-N 489.578 6.062 50 10 JKGE Cc1ccc(-n2c(CCl)nc3cc(I)ccc32)cc1Br 97355054 OOHFAZWNTPELGY-UHFFFAOYSA-N 461.528 5.440 50 10 JKGE CCCCCN1C(=O)C(C#N)=C(C)/C(=C\c2cn(-c3ccccc3)nc2-c2ccc(F)cc2)C1=O 101333241 KJCRBUCZCALLLB-LFVJCYFKSA-N 468.532 5.461 50 10 JKGE BrCC(CBr)(CCC[C@@H]1CCCO1)c1cccc(Br)c1 118878757 XVWNGSKMCFKLKU-OAHLLOKOSA-N 469.055 5.826 50 10 JKGE Clc1cc2c(cc1[C@H](Br)c1csc(I)c1)OCCCO2 124421090 KLUGQHSRODAFNA-CQSZACIVSA-N 485.568 5.652 50 10 JKGE COc1ccc(C[C@H](Br)c2cc(Br)c(Br)s2)cc1OC 128293877 KSDXTOKGLARZHW-VIFPVBQESA-N 485.035 5.969 50 10 JKGE Cc1cc(Br)cc([C@@H](Br)c2cc(Cl)c(Br)s2)c1 132021001 RNGARAXZJZWIOE-LLVKDONJSA-N 459.428 6.719 50 10 JKGE Fc1cccc(Br)c1[C@H](Br)c1cc2c(cc1Br)OCCO2 161201892 NDFWHTQXLPYZEZ-OAHLLOKOSA-N 480.953 5.606 50 10 JKGE CCCCCCOc1ccc(/C=C(/C#N)C(=O)Nc2ccc(C(=O)OCCC)cc2)cc1OC 206237330 IVBOPHUXJLBQLI-XLNRJJMWSA-N 464.562 5.767 50 10 JKGE COC(=O)/C(C#N)=C\c1cccc(OC(=O)/C=C/c2ccc(OCc3ccccc3C)c(OC)c2)c1 206691972 CAAQFVBOEJMJRJ-ADSMYSCYSA-N 483.520 5.281 50 10 JKGE CCCCNC(=O)/C(C#N)=C\c1ccc(OC(=O)COc2ccc(C(C)(C)c3ccccc3)cc2)cc1 207141656 CPWAETMNXPRYMG-GFMRDNFCSA-N 496.607 5.820 50 10 JKGE Cc1cc(I)ccc1N/C=C(/C#N)C(=O)N[C@@H](C)c1ccc2c(c1)CCCC2 217201313 VYNXTRDEXSSCTG-IEOAWGNMSA-N 485.369 5.175 50 10 JKGE Brc1cc2c(c([C@@H](Br)c3csc(I)c3)c1)OCC2 228444555 LMRDEKNDERGAQI-LBPRGKRZSA-N 499.993 5.534 50 10 JKGE CCc1ccc(CC)c([C@@H](Br)c2ccc(I)c(Cl)c2)c1 232344061 NQZLUVJWKWHIKP-KRWDZBQOSA-N 463.584 6.554 50 10 JKGE Brc1occc1[C@@H](Br)c1csc2c(Br)cccc12 232483954 QYYWECKALHWFSI-LLVKDONJSA-N 450.977 6.504 50 10 JKGE Fc1ccc([C@@H](Br)c2cc(F)c(Br)cc2F)cc1Br 236174904 VZAAKQQHPOQXFZ-CYBMUJFWSA-N 458.897 6.113 50 10 JKGE Fc1cccc(C[C@H](Br)c2cc(Cl)ccc2I)c1F 236217152 VBKSZPSXQRSKKH-NSHDSACASA-N 457.483 5.902 50 10 JKGE CCn1c(SCC(=O)NN=Cc2ccc(SC)cc2)nnc1-c1ccc(C(C)(C)C)cc1 254703025 LUVDRKAQLQXEQL-UHFFFAOYSA-N 467.664 5.227 50 10 JKGE Cc1cccc(Br)c1[C@@H](Br)c1cc(Cl)c(Br)cc1F 312111517 ZGLAFQQMKOYQLN-AWEZNQCLSA-N 471.389 6.797 50 10 JKGE O=C(OCc1ccccc1)N1C[C@@H](CBr)[C@H](c2ccc(F)c(Br)c2)C1 382739779 YWYMVYINOKSZHX-CVEARBPZSA-N 471.164 5.335 50 10 JKGE Cc1cc(C)c([C@H](Br)c2ccc(Br)c(F)c2)c(C)c1Br 383612658 SIPWPZZCLKKIAV-MRXNPFEDSA-N 464.998 6.760 50 10 JKGE C[C@@H](Cl)c1nc2cc(I)ccc2n1CCCOCc1ccccc1 389939325 CDJHMXUFDJYTSK-CQSZACIVSA-N 454.739 5.548 50 10 JKGE CC1(C)CC[C@@]23C=C[C@@]4(OO2)[C@@H](CC[C@]2(C)[C@@]5(C)C[C@@H](O)[C@H](O)C(C)(C)[C@]5(C)CC[C@@]42C)[C@]3(C)C1 616582520 SXSGPAZBVUYSJF-SXFGZTPTSA-N 486.737 6.593 50 10 JKGE CC(C)(C)OC(=O)NCCN1CCC[C@@H](c2cccc(CCO[Si](C)(C)C(C)(C)C)c2)CC1 616600225 AMDUTTJYKOYZIE-HSZRJFAPSA-N 476.778 6.345 50 10 JKGE COc1ccc([C@@H](Br)c2ccsc2Br)c(OC)c1Br 698577601 UMBLGDUBWRKJDN-SNVBAGLBSA-N 471.008 5.775 50 10 JKGE C[C@@H](Cl)c1nc2cc(F)c(F)cc2n1CC1(N(Cc2ccccc2)Cc2ccccc2)COC1 705606955 WWQBNFDYQXKIFP-LJQANCHMSA-N 481.974 6.086 50 10 JKGE Cc1cc(Br)c([C@H](Br)c2c(F)ccc(F)c2F)cc1Br 716417728 INDFFJBTELMBDM-ZDUSSCGKSA-N 472.924 6.422 50 10 JKGE CN(C[C@H]1CCCCN1Cc1ccccc1)c1ccc(CBr)c(Br)c1 720017483 WMXYYCAXFOTDCC-HXUWFJFHSA-N 466.261 5.835 50 10 JKGE Fc1ccc([C@@H](Cl)c2ccc(I)c(Br)c2)c(F)c1Cl 721612211 HWQOFNGVPDFDKG-NSHDSACASA-N 477.901 6.314 50 10 JKGE O=C(Cn1c2ccccc2c(=O)c2ccccc21)NN=Cc1ccccc1OCc1ccc(Cl)cc1 1083851463 BYVYYJMEBBWSBX-UHFFFAOYSA-N 495.966 5.537 50 10 JKGE CCOc1cc(C=NNC(=O)Cc2ccc([N+](=O)[O-])cc2)ccc1OCc1cccc2ccccc12 1084001268 FHLKSQLSYHZHHY-UHFFFAOYSA-N 483.524 5.419 50 10 JKGE C=CCc1cc(C=NNC(=O)CC[C@H](O)c2ccc(OCC)cc2)ccc1OCc1cccc(C)c1 1084533667 ROSRJEMACWMTLT-NDEPHWFRSA-N 486.612 5.665 50 10 JKGE CC1CCN(C(=O)[C@@]23CC[C@@](C)(C(=NNC(=O)c4ccccc4Br)C2)C3(C)C)CC1 1772722112 WHPFCJXIYUOZMC-BJKOFHAPSA-N 474.443 5.010 50 10 JKGE CC(C)(C)[Si](Oc1ccc2c(c1)oc(=O)c1cc(O)ccc12)(c1ccccc1)c1ccccc1 1848441218 LIALGKSEKTXXLW-UHFFFAOYSA-N 466.609 5.591 50 10 JKGE Cc1ccc(-n2nc(-c3ccccc3)c3c2OC(N)=C(C#N)[C@@H]3c2ccc(C(C)(C)C)cc2)cc1 1865682173 HWVRFMWOVONTLN-VWLOTQADSA-N 460.581 6.363 50 10 JKGE CCCc1nn(Cc2ccc(Cl)cc2)c2c1[C@@H](c1c(Cl)cccc1Cl)C(C#N)=C(N)O2 1865684923 AZHGYNLXYHVNLR-LJQANCHMSA-N 473.791 6.062 50 10 JKGE Cc1ccc(O)c([C@H]2C(C#N)=C(N)Oc3c2c(-c2ccccc2)nn3-c2ccc(Cl)c(Cl)c2)c1 1865687703 YICVFNUFLYPQIN-QFIPXVFZSA-N 489.362 6.078 50 10 JKGE COc1ccc(-n2nc(-c3ccccc3)c3c2OC(N)=C(C#N)[C@H]3c2cc(Cl)ccc2O)cc1 1865689636 VBVBAAZQJXBWLZ-JOCHJYFZSA-N 470.916 5.125 50 10 JKGE C=CCOc1ccccc1[C@@H]1C(C#N)=C(N)Oc2c1c(C(F)(F)F)nn2Cc1cccc(Cl)c1 1865690869 CYNMLNJHFMIHCH-LJQANCHMSA-N 486.881 5.387 50 10 JKGE CC(C)Oc1ccccc1[C@@H]1C(C#N)=C(N)Oc2c1c(-c1ccccc1)nn2Cc1ccc(Cl)cc1 1865705130 NASUSAGNHYHDOZ-RUZDIDTESA-N 496.998 6.257 50 10 JKGE N#CC1=C(N)Oc2c(c(-c3ccccc3)nn2Cc2ccccc2Cl)[C@H]1c1ccc(O)c([N+](=O)[O-])c1 1865713999 APODGNXNKONWEI-QFIPXVFZSA-N 499.914 5.084 50 10 JKGE CCc1ccc(OCCC/C(O)=C(\C#N)c2nc(-c3ccccc3)cs2)c(Br)c1 1872747544 IAHXKZQZVHXLCT-UZYVYHOESA-N 469.404 6.787 50 10 JKGE CCc1cccc(CC)c1N1C[C@H](/C(O)=C(\C#N)c2nc(-c3ccc(C(C)(C)C)cc3)cs2)CC1=O 1872750761 KSNKSLVIFRGYKY-RVROXKIYSA-N 499.680 7.078 50 10 JKGE COc1ccc(C(C)(C)C)cc1-c1csc(/C(C#N)=C(\O)[C@@H](C)N2C(=O)c3ccccc3C2=O)n1 1872751600 OXRPWCKWKZUOID-LYLVPTPKSA-N 487.581 5.594 50 10 JKGE COc1ccc(/C=C/C(O)=C(\C#N)c2nc(-c3cc(OC)c(Cl)cc3OC)cs2)cc1 1872755103 YNINRYRLHAKJPK-QOUZIFTOSA-N 454.935 5.995 50 10 JKGE CCOc1ccc(-c2csc(/C(C#N)=C(\O)c3cccc(Br)c3)n2)c(OCC)c1 1872755588 VIFRKKNOZWHUPI-UZYVYHOESA-N 471.376 6.320 50 10 JKGE Cc1ccc(C(C)(C)C)cc1-c1csc(/C(C#N)=C(\O)c2cc([N+](=O)[O-])cc([N+](=O)[O-])c2C)n1 1872756146 SHHSHXLCVCSOSP-QOCHGBHMSA-N 478.530 6.491 50 10 JKGE COc1ccc(Cl)cc1-c1csc(/C(C#N)=C(\O)CCCOc2cc(C)c(Cl)c(C)c2)n1 1872758495 CVCNDLMTHWXPRV-VZCXRCSSSA-N 489.424 7.394 50 10 JKGE CCCOc1ccc(-c2csc(/C(C#N)=C/c3ccc(OCc4ccccc4)c(OCC)c3)n2)cc1 1872790730 BOGVOVPFMOVWBE-KOEQRZSOSA-N 496.632 7.641 50 10 JKGE Cc1ccc(-c2csc(/C(C#N)=C/c3cc(Br)cc(Br)c3O)n2)cc1C 1872793571 HKYCZBFPSRFBOO-GIDUJCDVSA-N 490.220 6.722 50 10 JKGE CCC[C@@H]1C[C@H]1[C@@H](Cl)c1c(Br)sc(Br)c1Br 1897487801 HJILGEYOSJSKNL-HCVRKRLWSA-N 451.449 6.752 50 10 JKGE Cl[C@H](c1ccc(Br)o1)c1cc(Br)ccc1OCc1ccccc1 1899880764 BEHGNHLLQGFNPX-SFHVURJKSA-N 456.561 6.712 50 10 JKGE CCN(c1ccc(CBr)cc1Br)[C@@H]1CCN(Cc2ccccc2)C1 1915065540 AROJZBUZFHIBHK-GOSISDBHSA-N 452.234 5.445 50 10 JKGE CC[C@@H](Br)CN(Cc1ccccc1)S(=O)(=O)c1c(C)sc(C)c1Br 1915082276 JWOSWANBSOYANL-OAHLLOKOSA-N 495.302 5.492 50 10 JKGE O=C(c1cc(Br)ccc1Br)N(Cc1ccccc1)C1(CCl)CCC1 1915769032 YBGJVFBMXBBVEW-UHFFFAOYSA-N 471.620 6.016 50 10 JKGE FC(F)(F)c1cc([C@H](Cl)c2c(Br)sc(Br)c2Cl)cs1 1923067318 AZBBNTLACIOWOD-LURJTMIESA-N 474.976 7.335 50 10 JKGE Cl[C@H](c1c(Br)sc(Br)c1Br)[C@@H]1CC[C@H]2C[C@@H]1CO2 1924616221 MNWPGIUECVYAKZ-LGVNZDMBSA-N 479.459 6.131 50 10 JKGE Fc1cccc([C@@H](Cl)c2c(Cl)sc(Cl)c2Cl)c1I 1925622819 RIIKVNJLLBXJGB-SSDOTTSWSA-N 455.934 6.780 50 10 JKGE FC(F)(F)C1CC([C@@H](Br)c2sc(Br)cc2Br)C1 1948900485 CNQXLGFWRGNUBU-MPKXYMLHSA-N 456.947 6.298 50 10 JKGE Clc1c(Br)sc(Br)c1[C@H](Br)[C@@H]1CC2(CC2)CO1 2001646327 KBKRVEIFVUFFLF-CAHLUQPWSA-N 465.432 5.932 50 10 JKGE C[C@H]1[C@H](C)CCC[C@H]1OC1(CI)CCN(C(=O)OC(C)(C)C)CC1 2022947805 NHSQCHXSDKXRRI-OWCLPIDISA-N 451.389 5.032 50 10 JKGE Clc1cc([C@H](Br)c2ccc(Br)cc2Br)sc1Cl 2024283494 QCEVKPVCTQUYDP-SNVBAGLBSA-N 479.846 7.064 50 10 JKGE COCc1cc(Br)c([C@@H](Br)c2scc(Cl)c2Cl)s1 2035095745 DKBAJLONWCMSHL-MRVPVSSYSA-N 451.032 6.510 50 10 JKGE Cc1c(Br)sc([C@@H](Br)C[C@H]2CCC23CCC3)c1Br 2047941357 BTXWPAXPNCKSDS-ZJUUUORDSA-N 457.069 6.988 50 10 JKGE CC(C)[C@@H](CBr)N(Cc1ccccc1)C(=O)Cc1ccc(O)c(Br)c1 2050363354 ZKULHXZUXNAPRW-GOSISDBHSA-N 469.217 5.146 50 10 JKGE CC(C)(C)CN(Cc1ccccc1)S(=O)(=O)c1ccc(CBr)c(Br)c1 2059389761 GLFRLKLDFBHBJN-UHFFFAOYSA-N 489.273 5.581 50 10 JKGE C=C(C)[C@H](CC[C@](C)(O)[C@@H]1CC[C@]2(C)[C@@H]1CC[C@H]1[C@]2(C)CC[C@@H](C(=C)C)[C@@]1(C)CCC(=O)O)OO 2069577916 OMFAFUDUOLRUGX-HHYFAWJASA-N 490.725 7.258 50 10 JKGE Fc1cc(Br)c([C@@H](Br)c2ccoc2Br)c(F)c1Cl 2081842568 CIYGSLZUNNYSTG-QMMMGPOBSA-N 465.313 6.221 50 10 JKGE Cc1cc(F)c(F)cc1[C@H](Br)c1csc(Br)c1Br 2083946748 DJEBVVBWEPSCMJ-JTQLQIEISA-N 460.963 6.344 50 10 JKGE COc1cc(Br)c(C)cc1[C@H](Cl)c1ccccc1I 2089732788 MJSLNWBNXWUSPT-OAHLLOKOSA-N 451.529 5.699 50 10 JKGE COCc1cccc([C@@H](Br)c2c(Br)sc(Br)c2Cl)c1 2134746573 VOEWLUKVODFIPX-SNVBAGLBSA-N 489.454 6.557 50 10 JKGE COc1cc(F)c([C@@H](Br)c2cc(Br)c(Cl)s2)cc1Br 2138148962 VBDKDGNCIUKMGN-LLVKDONJSA-N 493.417 6.559 50 10 JKGE Cc1c(Br)ccc([C@@H](Br)[C@@]23CCC[C@@H](C2)OC3)c1Br 2138871453 GCCIHMBEWQENBV-VQISRLSMSA-N 453.012 5.915 50 10 JKGE COc1cc(Br)c(C)cc1[C@H](Br)c1cc(F)ccc1Br 2145959935 DFWDHBTYTAFKHQ-OAHLLOKOSA-N 466.970 6.152 50 10 JKGE Brc1cccc([C@@H](Br)c2ccc3c(c2)CCCC3)c1Br 2148750054 KFFNXGBWAQGRBT-INIZCTEOSA-N 459.019 6.575 50 10 JKGE COc1cc(F)c([C@H](Br)c2c(Br)cccc2Br)c(F)c1 2150495947 ZPBDDUFTYWHCDU-CQSZACIVSA-N 470.933 5.983 50 10 JKGE C[C@H]1C[C@H](C)CC[C@@H]1O[C@](C)(CI)c1ccccc1Br 2152467051 FJRAWLPJPWNAMT-OSRSDYAFSA-N 451.186 5.941 50 10 JKGE CC(C)(C)OC(=O)N1CCC[C@@H]([S@](C)(=O)=NCC2(CBr)CCCCCC2)C1 2163059196 RFSNROHKQRJXAG-CRYYWNKWSA-N 465.498 5.219 50 10 JKGE Cn1nc([C@H](Br)c2csc3c(Br)cccc23)c(Br)c1Cl 2167050437 KZAYQZRHPMASMK-SECBINFHSA-N 499.453 6.298 50 10 JKGE ClCc1nc2cc(Cl)c(Br)cc2n1Cc1ncc(Br)s1 2169014965 GEMQCHWNTONTDM-UHFFFAOYSA-N 455.990 5.458 50 10 JKGE F[C@]12CCC[C@@]1(CBr)CN(Cc1cccc(Br)c1Br)C2 2176634503 CXJHRCBEZYVYQQ-CABCVRRESA-N 470.018 5.301 50 10 JKGE Brc1sc([C@H]2[C@H]3CC[C@@H](C3)[C@@H]2Br)c(Br)c1Br 2212188966 GRYJCDPGIDCHDC-AXMZGBSTSA-N 493.884 6.313 50 10 JKGE CC1(C)CC(C)(CO[C@]2(CI)CCCN(C(=O)OC(C)(C)C)C2)C1 2215317182 QXTDGAQLWUMNJF-IBGZPJMESA-N 451.389 5.034 50 10 JKGE Cc1cc(Br)sc1[C@@H](Br)c1sc(C)c(C)c1Br 2215948098 VCYDKZGAOLWCFK-SNVBAGLBSA-N 459.066 6.744 50 10 JKGE CCOCc1cc(Br)c([C@@H](Br)c2csc(Br)c2)s1 2217982461 ANKSHSWZXGQNGT-NSHDSACASA-N 475.065 6.355 50 10 JKGE Cc1ccc(Br)cc1[C@H](Br)c1c(C)sc(Br)c1C 2218800211 IYABOIOFOTVHNK-ZDUSSCGKSA-N 453.037 6.683 50 10 JKGE Cn1nc(Br)c([C@H](Br)c2csc3c(Br)cccc23)n1 2226988368 YMBUAAPEOSPUOP-SECBINFHSA-N 465.996 5.039 50 10 JKGE CC1(C)CN(C(=O)c2cc(Br)c(Br)s2)C[C@H]1CCBr 2230121301 KPDYKEQJZKVOIL-MRVPVSSYSA-N 474.056 5.156 50 10 JKGE COc1c(C(C)C)cc(Br)cc1[C@@H](Br)c1ccc(Br)s1 2233159061 HAWGREGGNIAHAF-CQSZACIVSA-N 483.063 6.889 50 10 JKGE O=C(c1ccc(Br)cc1Br)N1CCC[C@@H](CCCBr)C1 2234182388 ROWQGSYIZTZRFD-LLVKDONJSA-N 468.027 5.239 50 10 JKGE COc1cc(F)c(Br)cc1[C@@H](Br)c1sc(C)c(Br)c1C 2234463708 ILTZTWJSHISYCQ-CYBMUJFWSA-N 487.026 6.522 50 10 JKGE Fc1cccc(I)c1[C@H](Br)c1cc(Cl)sc1Cl 2247988136 RDEZZGZJYMNYOI-SNVBAGLBSA-N 465.940 6.283 50 10 JKGE Fc1cc([C@H](Cl)c2sc(Cl)cc2Br)c(Cl)cc1Br 2255967460 GLXLBTWNLPANGZ-JTQLQIEISA-N 453.385 7.047 50 10 JKGE Cc1cc(F)c(Br)cc1[C@H](Br)c1cc(Br)sc1C 2258090669 KDEGAWVVUHOBLT-ZDUSSCGKSA-N 457.000 6.513 50 10 JKGE CC1(C)C[C@@]1(Cl)[C@@H](Br)c1c(F)cc(Br)c(F)c1Br 2260072260 ZTKHZJONCJOCLJ-CMPLNLGQSA-N 467.373 6.333 50 10 JKGE C[C@@H](CCCCCBr)NC(=O)c1ccc(Cl)c(I)c1 2268357905 KOOMHAYIIUFUGN-JTQLQIEISA-N 458.565 5.018 50 10 JKGE Cc1ccc([C@@H](Br)Cc2ccc(Cl)c(F)c2)cc1I 2277902904 LSLOONBXALAUEV-LBPRGKRZSA-N 453.520 6.071 50 10 JKGE Cc1cccc([C@@H](Br)Cc2cc(Br)cc(Br)c2)c1F 2277961268 RBLTZJNNXNCPGY-AWEZNQCLSA-N 450.971 6.338 50 10 JKGE Fc1c(Br)cccc1[C@@H](Cl)Cc1cc(Br)cc(Br)c1 2277962871 MUOQTVRLACPZIQ-ZDUSSCGKSA-N 471.389 6.636 50 10 JKGE C[C@@H]1C[C@@H]1CCCCCOc1c(Br)cc(Br)cc1CBr 2284871309 YTDIEWVFDPHITM-NEPJUHHUSA-N 469.055 6.702 50 10 JKGE BrCc1cc(Br)cc(Br)c1OC[C@]12CCCC[C@@H]1CC2 2289150784 AQMFKFJYEHOMHT-MLGOLLRUSA-N 467.039 6.456 50 10 JKGE COc1cc(C=C(C#N)C(=O)Nc2ccccc2)cc(Br)c1OCc1ccc(C#N)cc1 2293838606 PMBKDEAQPFLMAR-UHFFFAOYSA-N 488.341 5.454 50 10 JKGE COc1ccc([C@@H](Br)Cc2cc(Br)cc(Br)c2)cc1F 2295275098 RBCDPSZWOJMHPU-ZDUSSCGKSA-N 466.970 6.038 50 10 JKGE CC(=O)Nc1sc(C(C#N)=Cc2cccc(Oc3ccccc3)c2)nc1-c1ccc(C)cc1 2296706703 KOTOVSIDJYQRDQ-UHFFFAOYSA-N 451.551 6.933 50 10 JKGE N#CC(=CN1CCN(C(c2ccccc2)c2ccccc2)CC1)C(=O)Nc1cccc(Cl)c1 2296842952 LLXRUHXDTNFNEW-UHFFFAOYSA-N 456.977 5.093 50 10 JKGE N#CC(=Cc1cn(CCCOc2ccccc2)c2ccccc12)C(=O)Nc1nc2ccccc2s1 2297500332 CGHALPWPKIVQRU-UHFFFAOYSA-N 478.577 6.266 50 10 JKGE CCCCCCCCC=CCCCCCCCC(=O)O[C@@H](COC(C)C)CO[P@](C)(=O)F 2297719597 ZLEFMXNNQCABDB-BNHRFMORSA-N 478.626 8.170 50 10 JKGE C[C@@H]1OCCO[C@H]1[C@H](Br)c1cc(Br)ccc1OCc1ccccc1 2299501512 OSEALLPIEDJYNH-MJXNMMHHSA-N 456.174 5.268 50 10 JKGE N#CC(=Cc1cc(Br)ccc1OCc1ccc(Cl)cc1)C(=O)NC1CCCC1 2313671204 QAHHJANTVHIXPB-UHFFFAOYSA-N 459.771 5.647 50 10 JKGE N#CC(=Cc1c(Oc2ccccc2Cl)nc2ccccn2c1=O)C(=O)Nc1ccc(Cl)cc1 2314533878 ULFYDJYUDRFLSI-UHFFFAOYSA-N 477.307 5.339 50 10 JKGE COc1cc(C=C(C#N)c2ccc(Cl)cc2)ccc1OC(=O)COc1ccc(C)cc1C(C)(C)C 2314716990 FOLRRZFTUJHWBY-UHFFFAOYSA-N 489.999 7.003 50 10 JKGE CCOc1ccc(C=C(C#N)C(=O)Nc2nc(-c3ccc(Br)cc3)c(CC)s2)cc1 2314793589 UVIXJMDMKDMFDE-UHFFFAOYSA-N 482.403 6.079 50 10 JKGE CCCc1sc(Br)cc1[C@H](Br)c1cccc(Br)c1 2316171965 QVWLZJLLBFQHSB-CQSZACIVSA-N 453.037 6.710 50 10 JKGE ClCc1cc(Cl)cc(Oc2cc(Br)cc(I)c2)c1 2316757505 CSXLWTUWCGZKPL-UHFFFAOYSA-N 457.920 6.238 50 10 JKGE CC(C)(c1ccccc1)[C@@H](Br)c1sc(Cl)cc1I 2316769014 FLTXUXOKNRLGJU-ZDUSSCGKSA-N 455.586 6.420 50 10 JKGE Clc1cc(I)c([C@H](Cl)Cc2ccc(Cl)c(Cl)c2)s1 2316773866 CEUFDCVOWJWBOS-SECBINFHSA-N 451.971 6.836 50 10 JKGE Cc1cc(Br)c(F)c(Br)c1[C@@H](Br)CCC(F)(F)F 2317394972 DEMYEGWMFTWDPB-LURJTMIESA-N 456.897 6.438 50 10 JKGE BrC[C@@H]1CCCCN(Cc2ccc(I)c(Br)c2)C1 2325222623 LTRNTZGBQCZZHN-LBPRGKRZSA-N 487.017 5.051 50 10 JKGE Cc1csc2nc(Cl)c(C=NNC(=O)c3ccc(-c4ccc5ccccc5c4)s3)n12 2325901859 JQVMRLGEKHUUFN-UHFFFAOYSA-N 450.976 6.003 50 10 JKGE COc1cccc(-c2csc(C(C#N)=C(O)c3ccc4c(c3)C(=O)N(CC(C)C)C4=O)n2)c1 2331246526 XGJIDBKYMYDEJN-UHFFFAOYSA-N 459.527 5.021 50 10 JKGE COc1ccc(Cl)cc1N1C[C@H](C(O)=C(C#N)c2nc(-c3ccc(C)cc3C)cs2)CC1=O 2331310747 DFXWZXPHZTYQNC-MRXNPFEDSA-N 479.989 5.935 50 10 JKGE COc1ccc(-c2csc(C(C#N)=C(O)[C@H](C(C)C)N3C(=O)c4ccccc4C3=O)n2)cc1F 2331336896 IHWFNLAMHIRSBP-NRFANRHFSA-N 477.517 5.071 50 10 JKGE CC(C)C[C@@H](C(O)=C(C#N)c1nc(-c2ccc(C(C)C)cc2)cs1)N1C(=O)c2ccccc2C1=O 2331340410 AWPHMPAQANDBQX-DEOSSOPVSA-N 485.609 6.437 50 10 JKGE CCOc1ccc(CC(O)=C(C#N)c2nc(-c3cc(Cl)c(OC)cc3OC)cs2)cc1 2331377572 MYKDRHDFIINFHP-UHFFFAOYSA-N 456.951 5.915 50 10 JKGE COc1ccc(-c2csc(C(C#N)=C(O)c3ccc4c(c3)C(=O)N(CC(C)C)C4=O)n2)c(OC)c1 2331385882 QONGNKILTRWQLH-UHFFFAOYSA-N 489.553 5.029 50 10 JKGE Cc1ccc(C(C)(C)C)cc1-c1csc(C(C#N)=C(O)c2cc([N+](=O)[O-])ccc2Cl)n1 2331396927 NYOOOGPYBSALSJ-UHFFFAOYSA-N 453.951 6.928 50 10 JKGE Cn1nc(Br)c(Br)c1[C@H](Br)c1ccc(C(C)(C)C)s1 2338723569 YPAMQFKEXBGIOF-SECBINFHSA-N 471.056 5.788 50 10 JKGE COc1c(Br)cc(C)c([C@@H](Br)[C@H]2[C@H]3CCC[C@H]32)c1Br 2339675411 QUPIHYYRECGBHD-OTMMVIPVSA-N 453.012 6.011 50 10 JKGE COC[C@@H]1C[C@@H]1[C@H](Br)c1c(C)cc(Br)c(OC)c1Br 2339680636 YVKKOVMMAHUJPJ-AUTRQRHGSA-N 457.000 5.247 50 10 JKGE Fc1c(Br)cc(Cl)c([C@H](Br)[C@@H]2CC[C@H]3C[C@H]2CO3)c1Br 2362224282 KSKGDQOLWMPRES-OUDXYJABSA-N 491.420 6.255 50 10 JKGE CCCc1sc(Br)cc1[C@@H](Br)Cc1ccc(Cl)c(Cl)c1 2363263341 SMHDOIRORDCZHK-NSHDSACASA-N 457.058 7.449 50 10 JKGE CCc1ccc([C@@H](Br)c2c(C)cc(Br)c(OC)c2Br)o1 2365188450 LHOUQWGXORMPPS-CYBMUJFWSA-N 466.995 6.168 50 10 JKGE Cc1cc(Br)c(F)c(Br)c1[C@H](Cl)c1nn(C)c(Cl)c1Cl 2365192393 CAFWCZHDIDCODI-QMMMGPOBSA-N 465.375 6.028 50 10 JKGE COc1c(Br)cc(C)c([C@H](Br)C(C)(C)CC(F)F)c1Br 2365192796 DQBMJRZYYQAFNZ-ZDUSSCGKSA-N 478.997 6.646 50 10 JKGE COc1ccc([C@H](Cl)c2ccc(Cl)cc2I)c(Cl)c1Cl 2365599864 XYKMXGFEUSPUBH-GFCCVEGCSA-N 461.941 6.588 50 10 JKGE CN(Cc1c(Br)cccc1Br)c1ccc(CCl)c(Br)c1 2366164096 YYIUERVLVJPOOW-UHFFFAOYSA-N 482.441 6.349 50 10 JKGE COc1c(F)cc([C@@H](Cl)c2cc(I)ccc2Br)cc1F 2370458220 WCYKMJCVRRAZEQ-CYBMUJFWSA-N 473.482 5.669 50 10 JKGE CCOc1ccc(-c2c(C)sc(NC(=O)/C(C#N)=C/c3ccc(OC)cc3)c2C(=O)OC)cc1 1974842 SGEQNOWFGNDURG-XMHGGMMESA-N 476.554 5.463 50 10 JKGE O=C(NC1CCCCC1)[C@@H](c1ccc(Cl)cc1)N(Cc1ccc(Cl)cc1)C(=O)CCCl 3035421 DCPKUGVGRFYKMJ-HSZRJFAPSA-N 481.851 6.141 50 10 JKGE CC[C@@H](C)c1ccccc1O[C@@H](C)C(=O)NNC(=O)COc1ccc2ccccc2c1Br 9872289 OXEBFOKTAYHQRU-SJORKVTESA-N 499.405 5.110 50 10 JKGE CCCCC(=O)Nc1ccc(C(=O)NNC(=O)COc2ccc(C(C)(C)C)cc2C(C)(C)C)cc1 14661771 OUZKNOYCMIQVIC-UHFFFAOYSA-N 481.637 5.250 50 10 JKGE Cc1ccccc1CS/C(Nc1cccc(Cl)c1)=C(\C#N)S(=O)(=O)c1ccccc1 20325621 KNKDSYYVGQTLOT-GHVJWSGMSA-N 455.004 6.160 50 10 JKGE COc1ccc(/C(C#N)=C/c2ccc(N3N=C(c4ccccc4)C[C@@H]3c3ccccc3)cc2)cc1OC 33568771 NKZJKVJOPZDUKM-CFEDROAVSA-N 485.587 7.124 50 10 JKGE N#C/C(=C/c1ccc(Oc2ccc([N+](=O)[O-])cc2C#N)cc1)C(=O)Nc1ccc([N+](=O)[O-])cc1Cl 33930478 RQVDZQCXMVOOHO-SXGWCWSVSA-N 489.831 5.366 50 10 JKGE N#C/C(=C\c1cccn1-c1ccc([N+](=O)[O-])cc1)C(=O)Nc1ccc(Cl)c(C(F)(F)F)c1 35518662 ULDUKFPWVPQHBW-JLHYYAGUSA-N 460.799 5.603 50 10 JKGE CCCCOc1ccc(C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@@H]3c2ccc(C(C)(C)C)cc2)cc1 38649779 IIRMZEYOONFULW-MUUNZHRXSA-N 496.607 6.600 50 10 JKGE CCCOc1ccccc1[C@@H]1C(C#N)=C(N)Oc2cc(OC(=O)COc3ccccc3Cl)ccc21 38681549 QUTRBSRPLBRFMF-SANMLTNESA-N 490.943 5.331 50 10 JKGE CSc1ccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)COc4ccc(Cl)cc4)ccc32)cc1 38682133 NZQMPQJFWUGCHQ-DEOSSOPVSA-N 478.957 5.264 50 10 JKGE N#CC1=C(N)Oc2cc(OC(=O)c3ccco3)ccc2[C@@H]1c1ccc(OCc2ccc(F)cc2)cc1 38686481 XOOKUZJFCGCKBN-SANMLTNESA-N 482.467 5.435 50 10 JKGE O=C(NNc1ncnc(Nc2cccc(Cl)c2Cl)c1[N+](=O)[O-])c1ccc(Cl)cc1Cl 40646718 ZQJSUIJQOYVOFR-UHFFFAOYSA-N 488.118 5.499 50 10 JKGE Cc1c(C(=O)N(C)Cc2ccccc2)oc2c1/C(=N/NC(=O)c1cccc3ccccc13)CCC2 40813615 AMTFTTFDRDLUGG-BGABXYSRSA-N 465.553 5.484 50 10 JKGE COc1ccccc1OCC(=O)N/N=C/c1ccc(OCc2c(Cl)cccc2Cl)c(OC)c1 40911616 XJXDXMXHKMLODT-UVHMKAGCSA-N 489.355 5.119 50 10 JKGE Cc1cc(OCC(=O)N/N=C/c2cc(Br)ccc2OCc2ccccc2)ccc1C(C)C 40912351 PCFBYAYOYPLBMW-RWPZCVJISA-N 495.417 5.989 50 10 JKGE Cc1cc(C)cc(OCC(=O)N/N=C2/C(=O)N(Cc3c(Cl)cccc3Cl)c3ccccc32)c1 59159417 BNWWDEQTKUBSFY-RMLRFSFXSA-N 482.367 5.056 50 10 JKGE Cc1ccc(COc2ccc(Br)cc2/C=C(\C#N)C(=O)N[C@H](C)c2ccccc2)cc1 59224715 MAOVTPRZZQBXHQ-IXOWOOARSA-N 475.386 6.121 50 10 JKGE COc1ccc(CNC(=O)/C(C#N)=C/c2cc(Br)ccc2OCc2ccc(F)cc2)cc1 59282163 MOFPQINVMSURSG-UDWIEESQSA-N 495.348 5.399 50 10 JKGE O=C(N/N=C/c1ccc(OCc2ccc(Cl)cc2)cc1)c1cc2cc(Br)ccc2o1 59305069 KUDWVRLTUJYCNS-LGJNPRDNSA-N 483.749 6.192 50 10 JKGE COc1ccc(Br)cc1C[C@H](CBr)Cc1cccc(Br)c1 97184758 IDLDENAZGNSTHK-CYBMUJFWSA-N 477.034 6.017 50 10 JKGE C[C@@H]1CCCC[C@H]1NC(=O)[C@@H](c1ccc(Cl)cc1)N(CCc1ccc(Cl)cc1)C(=O)CCl 97914230 BRVSRODHJWIGMN-CUHUQNRHSA-N 495.878 6.040 50 10 JKGE Clc1cc(Br)ccc1COc1c(Br)cccc1CBr 168182760 PTVXDDPZMSMENS-UHFFFAOYSA-N 469.398 6.339 50 10 JKGE Clc1cc(Br)ccc1CC(CBr)(CBr)c1ccccc1 168967747 CZTQZNXEAJNOOD-UHFFFAOYSA-N 481.453 6.373 50 10 JKGE N#C/C(=C/c1ccc(-c2cccc([N+](=O)[O-])c2)o1)C(=O)Nc1cc(C(F)(F)F)cc(C(F)(F)F)c1 209396254 KSJOQXDGZPGRQV-QPEQYQDCSA-N 495.335 6.438 50 10 JKGE Cc1c(Cl)cccc1[C@H](Br)c1cc(Br)sc1Br 219937358 OEKHZUUOYSFMQD-NSHDSACASA-N 459.428 6.719 50 10 JKGE CCCOc1ccc([C@@H](Cl)c2ccc(Br)c(Cl)c2)cc1Br 229001015 SANLBKCYMKFLDC-MRXNPFEDSA-N 453.001 6.982 50 10 JKGE CCc1ccc([C@@H](Br)c2ccc(Br)cc2Br)cc1CC 234196040 HTLWXJOYBNJAHX-QGZVFWFLSA-N 461.035 6.821 50 10 JKGE COc1c(C)cc([C@H](Cl)c2cc(Br)ccc2I)cc1C 234927467 WMPQHAVJUAFLLL-HNNXBMFYSA-N 465.556 6.007 50 10 JKGE CC(C)(C)c1cc(C=NNC(=O)CCn2c3ccccc3c3ccccc32)cc(C(C)(C)C)c1O 254375908 JJAXQCGTTMAENH-UHFFFAOYSA-N 469.629 6.636 50 10 JKGE COc1ccc(C(=O)Oc2ccc(C=NNC(=O)c3ccc(-n4c(C)ccc4C)cc3)cc2)cc1 254817262 XZGRYRUZVSXFOU-UHFFFAOYSA-N 467.525 5.086 50 10 JKGE BrCc1cc(I)c(I)c2sccc12 307452580 WKPKUMAXTMEOAH-UHFFFAOYSA-N 478.918 5.005 50 10 JKGE O=C(OCc1ccccc1)N1C[C@@H](CBr)[C@H](c2ccc(Cl)cc2Br)C1 382687584 GSVZKVFDCFJZSA-RHSMWYFYSA-N 487.619 5.850 50 10 JKGE Cc1cc(Br)c([C@H](Br)c2cc(Br)c(C)s2)cc1Cl 385155501 KBNRVYZUATXUHZ-ZDUSSCGKSA-N 473.455 7.028 50 10 JKGE C[C@H]1C[C@H](n2c(CCl)nc3cc(I)c(F)cc32)CN1Cc1ccccc1 398001773 NXUZKKXEFMJKOV-ZFWWWQNUSA-N 483.756 5.354 50 10 JKGE CC(C)(C)[Si](C)(C)OCCN1CCO[C@@H](c2cccc(CO[Si](C)(C)C(C)(C)C)c2)CC1 616595073 JOSOPSLDSRIYPV-XMMPIXPASA-N 479.854 6.994 50 10 JKGE Fc1cc(I)ccc1-n1c(CCl)nc2c(Br)cccc21 700471858 MMYWWPJXRRFKAW-UHFFFAOYSA-N 465.491 5.271 50 10 JKGE CO[C@](C)(COCc1ccccc1)Cn1c([C@H](C)Cl)nc2cc(I)ccc21 702782193 BUKVTLABGSCUSV-BTYIYWSLSA-N 498.792 5.563 50 10 JKGE O=C(NCc1ccc(CBr)cc1)c1scc(Br)c1Br 705418138 JTEXXRUTZQAZOF-UHFFFAOYSA-N 468.008 5.098 50 10 JKGE CC1(C)[C@H](OCc2ccccc2)C[C@H]1n1c(CCl)nc2cc(I)ccc21 718056015 PBZIVIJNLNXUDU-RTBURBONSA-N 480.777 5.936 50 10 JKGE CCN(C[C@](C)(CI)O[C@H](C)C1CCCCC1)C(=O)OC(C)(C)C 719739794 XYYVJHUSVYMLPZ-BEFAXECRSA-N 453.405 5.423 50 10 JKGE Fc1cccc([C@H](Br)c2ccc(Cl)cc2Cl)c1I 721678871 KMJCYRVBJHEBFZ-GFCCVEGCSA-N 459.911 6.221 50 10 JKGE O=C(NN=Cc1c(OCc2cccc(Br)c2)ccc2ccccc12)c1ccc(Cl)cc1 1084294773 JMZSDMVDNPKEKI-UHFFFAOYSA-N 493.788 6.599 50 10 JKGE Cc1cccc(NC(=O)C(=O)NN=Cc2c(OCc3ccccc3)ccc3ccccc23)c1C 1084555262 QDTBKJYKLKOILT-UHFFFAOYSA-N 451.526 5.124 50 10 JKGE COc1ccccc1C(=O)NN=C1CCCc2oc(C(=O)Oc3cc(C)c(Cl)c(C)c3)c(C)c21 1772745827 JEFGWVLPYZXQGL-UHFFFAOYSA-N 480.948 5.556 50 10 JKGE Cc1c(C(=O)Nc2cc(Cl)cc(Cl)c2)oc2c1C(=NNC(=O)COc1ccccc1)CCC2 1772748606 BKCUGSNWUCWIAS-UHFFFAOYSA-N 486.355 5.383 50 10 JKGE CCc1nn(-c2ccc(Br)cc2)c2c1[C@H](c1ccc(Cl)cc1)C(C#N)=C(N)O2 1865683742 OEVQZMKCBORCIG-GOSISDBHSA-N 455.743 5.069 50 10 JKGE Cc1nn(-c2ccc(Br)cc2)c2c1[C@H](c1ccc(C(C)(C)C)cc1)C(C#N)=C(N)O2 1865684561 RYWMGSRRJXOECK-OAQYLSRUSA-N 463.379 5.459 50 10 JKGE CCCc1nn(-c2cccc(Cl)c2)c2c1[C@@H](c1c(Cl)cccc1Cl)C(C#N)=C(N)O2 1865684897 ANWQSLYMKCSEBB-GOSISDBHSA-N 459.764 6.003 50 10 JKGE N#CC1=C(N)Oc2c(c(C(F)(F)F)nn2-c2cccc(Cl)c2)[C@H]1c1c(Cl)cccc1Cl 1865684984 BSRCWNCYYMGMEN-CQSZACIVSA-N 485.680 6.069 50 10 JKGE CCCCOc1ccc([C@H]2C(C#N)=C(N)Oc3c2c(CC)nn3-c2ccccc2)cc1OCC 1865686836 CEYOERGHWITOBS-DEOSSOPVSA-N 458.562 5.230 50 10 JKGE CCc1nn(Cc2ccccc2Cl)c2c1[C@@H](c1ccc(OCc3ccccc3)cc1)C(C#N)=C(N)O2 1865690333 OTSIYQSLBSSYAK-SANMLTNESA-N 496.998 5.944 50 10 JKGE CCCn1nc(CC)c2c1OC(N)=C(C#N)[C@@H]2c1ccc(OCc2ccccc2)c(OCC)c1 1865692864 GJWIMJNLUILVHZ-DEOSSOPVSA-N 458.562 5.051 50 10 JKGE CCc1nn(Cc2c(F)cccc2Cl)c2c1[C@@H](c1ccc(N(CC)CC)cc1)C(C#N)=C(N)O2 1865701287 RJVGHQDIKNVQPS-QHCPKHFHSA-N 479.987 5.351 50 10 JKGE N#CC1=C(N)Oc2c(c(-c3ccccc3)nn2Cc2c(F)cccc2Cl)[C@@H]1c1cccc(F)c1 1865711122 QASXZNFIMFFIAY-JOCHJYFZSA-N 474.898 5.748 50 10 JKGE Cc1nc(Cc2ccccc2)sc1C(=O)NNC(=O)c1cc(C(F)(F)F)cc(C(F)(F)F)c1 1865845159 LXCUWYBHDVCXOL-UHFFFAOYSA-N 487.425 5.155 50 10 JKGE CSCC[C@H](NC(=O)C[C@@H](c1ccc(C)c(C)c1)C1CC1)C(=O)Nc1ccc(SC#N)cc1 1866723993 KZAHTEJKDJBZPZ-RPWUZVMVSA-N 481.687 5.637 50 10 JKGE CC[C@H](C(=O)N[C@H](CCSC)C(=O)Nc1ccc(SC#N)cc1)c1ccc(Cl)cc1 1866958341 ZKHRBUTWCSRIRT-VQTJNVASSA-N 462.040 5.283 50 10 JKGE COc1ccc2c(c1)C[C@@H](C)CN2c1cc(Nc2ccc(SC#N)cc2)nc(-c2ccc(C)cc2)n1 1868320217 FSCZUYIEYYPOHW-HXUWFJFHSA-N 493.636 7.108 50 10 JKGE N#CSc1ccc(Nc2cc(N3CCN(C(=O)C4CCCCC4)CC3)nc(-c3ccccc3)n2)cc1 1868365164 MRKAXNWNCGJQPR-UHFFFAOYSA-N 498.656 5.689 50 10 JKGE CCCOc1ccc(-c2csc(/C(C#N)=C(\O)COc3ccc(OC)cc3C(C)(C)C)n2)cc1 1872749557 WYNQDROFPZMPII-FLFQWRMESA-N 478.614 6.777 50 10 JKGE N#C/C(=C(/O)c1c(Cl)ccc(Cl)c1Cl)c1nc(-c2ccc3c(c2)OCCO3)cs1 1872750310 BGRMRCWFNLVDJI-ODLFYWEKSA-N 465.745 6.491 50 10 JKGE CCc1sc(Br)cc1[C@@H](Br)c1ccc(Br)c(OC)c1 1876917982 AITVKDZBARNUDG-AWEZNQCLSA-N 469.036 6.328 50 10 JKGE O=C1c2ccccc2C(=O)N1C[C@H](Br)CCCCc1cc(Cl)cc(Cl)c1 1901975548 GATANJBOADTNDA-CQSZACIVSA-N 455.179 5.766 50 10 JKGE O=C1c2ccccc2C(=O)N1C[C@H](Br)CCc1ccc(Cl)cc1Br 1905314489 ODKPRTYZCAVGFD-GFCCVEGCSA-N 471.576 5.095 50 10 JKGE CCc1nn(CC)c(CN(Cc2ccccc2)C[C@H](Br)CC)c1Br 1915123899 BOPKXJTVEYZANY-MRXNPFEDSA-N 457.254 5.404 50 10 JKGE CC(C)[C@@H](CCl)N(Cc1ccccc1)Cc1cc(Cl)ccc1I 1915257428 LVCZAGVYYINXNC-LJQANCHMSA-N 462.202 6.210 50 10 JKGE Cc1c(Br)sc([C@@H](Br)c2ccc(F)cc2Cl)c1Br 1922955380 YRRUGTXJGXZIFB-JTQLQIEISA-N 477.418 6.858 50 10 JKGE Cn1nc([C@H](Cl)c2c(Br)sc(Br)c2Cl)c(Cl)c1Cl 1923038408 JAKHNWQKBPIKAX-GSVOUGTGSA-N 473.832 6.295 50 10 JKGE Fc1cc([C@@H](Cl)c2c(Br)sc(Br)c2Cl)ccc1Br 1923038709 KCTAIDXBGWHQCI-MRVPVSSYSA-N 497.836 7.156 50 10 JKGE Clc1sc(Br)c(Cl)c1[C@H](Br)c1ccc2sccc2c1 1925595399 STPJIDZICBSYHO-SNVBAGLBSA-N 457.039 7.516 50 10 JKGE CCc1cc(Br)c([C@H](Br)c2csc(I)c2)s1 1936757179 SHICMBDMJYKDFF-SNVBAGLBSA-N 492.039 6.223 50 10 JKGE Fc1cc(Cl)c(Br)cc1[C@@H](Br)c1cscc1Br 1948510382 IUOFEHXJTDVHTM-LLVKDONJSA-N 463.391 6.550 50 10 JKGE CC12CC([C@@H](Br)c3c(Br)sc(Br)c3Cl)(CO1)C2 1950598318 FGRJGOAFLLMPMY-ARTQYDKTSA-N 465.432 5.932 50 10 JKGE Cc1cc(Br)sc1[C@H](Br)c1c(Br)sc(C)c1C 1951019373 NYHGQAIIEHQEHK-SNVBAGLBSA-N 459.066 6.744 50 10 JKGE CC(C)(C)CN(CCBr)C(=O)c1csc(Br)c1Br 2032958688 KAAYINBXXQKSED-UHFFFAOYSA-N 462.045 5.156 50 10 JKGE CN(c1cccc(Br)c1CBr)[C@H]1CN(Cc2ccccc2)C(C)(C)C1 2037332230 OZAXXULRVDNXKP-QGZVFWFLSA-N 466.261 5.833 50 10 JKGE C[C@H]1OC2(C)CC1([C@@H](Br)c1c(Br)sc(Br)c1Cl)C2 2038997098 QJLGYZIPPCPKKI-RZVVIQTJSA-N 479.459 6.320 50 10 JKGE Brc1cc([C@H](Br)[C@H]2CC3(CCCC3)CO2)sc1Br 2047505637 IGLULDXWFYJYBW-MWLCHTKSSA-N 459.041 6.058 50 10 JKGE FC1(F)CCOC[C@H]1[C@H](Cl)c1c(Br)sc(Br)c1Br 2047874958 RTKITNWKDQSYKN-FFWSUHOLSA-N 489.401 5.987 50 10 JKGE BrC[C@@H](Cc1ccc(Br)cc1)Cc1cnsc1Br 2055666360 XTMGWXYNOVWPDC-JTQLQIEISA-N 454.025 5.464 50 10 JKGE Cc1c(Cn2nc(CCl)c(I)c2C(F)(F)F)cccc1C(F)(F)F 2079211488 SLSLXYHXOQMFLX-UHFFFAOYSA-N 482.593 5.621 50 10 JKGE Clc1ccc([C@H](CBr)Cc2c(Br)cccc2Br)cc1 2094096614 ZIJMLBJQTPFOLP-NSHDSACASA-N 467.426 6.586 50 10 JKGE FC1(F)C[C@]12CC[C@H]([C@H](Br)c1c(Cl)sc(Br)c1Cl)C2 2099914137 CZEVIRANKPJUSM-DGVCYOPGSA-N 454.989 7.079 50 10 JKGE Cc1sccc1CC(CBr)(CBr)c1cccc(Br)c1 2101462175 OBOVBLJJURUDEV-UHFFFAOYSA-N 467.064 6.089 50 10 JKGE BrC[C@]12CCC[C@H]1CN(Cc1c(Br)cccc1Br)C2 2103175569 KCTXYEPXTWRKRU-NHYWBVRUSA-N 452.028 5.209 50 10 JKGE Clc1c(Br)cccc1COc1ccc(Br)cc1CBr 2110527228 XVVMSTWHXKRDEL-UHFFFAOYSA-N 469.398 6.339 50 10 JKGE Cc1cc(Br)c([C@@H](Br)[C@@H]2C[C@@H]3CCC[C@@H]3C2)cc1Br 2127057266 WAFWAPHILALUDD-LGSVPQMISA-N 451.040 6.782 50 10 JKGE Cc1cc(Br)c(C)c([C@H](Br)[C@@H]2C[C@H]3CCC[C@H]32)c1Br 2136369377 JJXORLDJOWEPSD-DSZLRUIBSA-N 451.040 6.701 50 10 JKGE Cc1cc(Br)c(C)c([C@H](Br)C[C@H]2C[C@H]2C2CC2)c1Br 2136371237 SIKMJWYJSVNYEB-MBNYWOFBSA-N 451.040 6.701 50 10 JKGE Cc1cc(Cl)c(Br)cc1[C@H](Br)c1cccc(Br)c1F 2137642414 IONBUPDCUVKSFX-CYBMUJFWSA-N 471.389 6.797 50 10 JKGE FC(F)(F)[C@@]1(CBr)CCN(Cc2cccc(Br)c2Br)C1 2167674375 KWPVSQMGJOLWIR-GFCCVEGCSA-N 479.960 5.361 50 10 JKGE FC1(F)C2(CC2)C12CC([C@H](Br)c1cc(Br)ccc1Br)C2 2183930420 PVNGTBWJKCPGPY-ZAQGZADTSA-N 470.977 6.473 50 10 JKGE Cc1nn(C)c(Br)c1[C@H](Br)c1csc2c(Br)cccc12 2185750565 OVYHBFIYZGIXCP-GFCCVEGCSA-N 479.035 5.953 50 10 JKGE CSc1ccccc1[C@@H](Br)c1c(C)c(Br)cc(C)c1Br 2201072518 VKWOVWCEHSEOGK-MRXNPFEDSA-N 479.075 7.035 50 10 JKGE COc1cc(F)c(F)cc1[C@H](Br)c1cc(Br)cc(Br)c1 2204493285 CJOFGACVLHJEDZ-CQSZACIVSA-N 470.933 5.983 50 10 JKGE CCOc1ccc([C@@H](Cl)c2ccc(I)c(C)c2)c(Br)c1 2207106662 YODSWVHUHABLAF-INIZCTEOSA-N 465.556 6.089 50 10 JKGE COc1cc(CBr)ccc1OCc1ccc(I)c(Cl)c1 2208041386 YSFZQJJQTAGWIA-UHFFFAOYSA-N 467.528 5.427 50 10 JKGE C[C@@H](C[C@@H](C)Br)c1sc(Br)c(Br)c1Br 2209974078 VSNNKHJZNPDPHZ-CRCLSJGQSA-N 469.862 6.313 50 10 JKGE CC[C@H]1CN(CCCCCI)[C@H](CC)CN1C(=O)OCc1ccccc1 2211184599 FAGVDONSVHTIBF-UXHICEINSA-N 472.411 5.103 50 10 JKGE C[C@@H]1CC[C@@H](c2sc(Br)c(Br)c2Br)C[C@@H]1Br 2212189700 OCDKZVCOLUTVRC-QYNIQEEDSA-N 495.900 6.703 50 10 JKGE Cc1ccc(Br)cc1[C@H](Br)c1sc(Br)c(C)c1C 2218789185 GPTXYTNEUXLIRC-LBPRGKRZSA-N 453.037 6.683 50 10 JKGE BrCc1cc(Br)ccc1N1C[C@@H]2CCC[C@H](C1)N2Cc1ccccc1 2219219522 OYONIECBTDLEDE-BGYRXZFFSA-N 464.245 5.587 50 10 JKGE Clc1cc(Br)ccc1C[C@H](Cl)c1cc(Br)sc1Br 2221700589 UPXRFIOTJIAIME-JTQLQIEISA-N 493.873 7.212 50 10 JKGE Fc1cc(Br)cc([C@H](Cl)c2cc(Br)c(Br)cc2F)c1 2225634079 NDPXPCHTCHMAFE-ZDUSSCGKSA-N 475.352 6.581 50 10 JKGE Cc1cc(Br)c([C@H](Br)C2CCC(C)CC2)c(C)c1Br 2227348668 OQFMEECTVPRMJP-FZGCPMGESA-N 453.056 7.091 50 10 JKGE COc1sc([C@@H](Br)c2cc(C)c(Br)c(C)c2)cc1Br 2227423208 ZQZUHJWZKILJBW-ZDUSSCGKSA-N 469.036 6.383 50 10 JKGE CC[C@H]1CC[C@H]([C@@H](Br)c2c(Br)cc(Cl)c(Cl)c2Cl)CC1 2232510699 HVKNOQOYKQUBAA-JRKPZEMJSA-N 463.468 8.062 50 10 JKGE Fc1cc(Br)c(Br)cc1[C@@H](Br)[C@@H]1Cc2ccccc2O1 2233978177 YVGUQFISIHURGR-LSDHHAIUSA-N 464.954 5.790 50 10 JKGE Fc1cc(F)c([C@@H](Br)c2c(Cl)cccc2Br)c(F)c1Br 2236113152 ZHXGJTJEYMMPKS-LBPRGKRZSA-N 493.342 6.767 50 10 JKGE Clc1c(Br)ccc(CBr)c1OC1CCN(Cc2ccccc2)CC1 2250351505 DFEZRXQVDMOMRT-UHFFFAOYSA-N 473.636 6.041 50 10 JKGE Cc1cc([C@H](Br)c2c(Br)cc(C)c(F)c2C)c(Br)s1 2264468787 NCKCRINQZAEITL-LBPRGKRZSA-N 471.027 6.822 50 10 JKGE Brc1ccc([C@H](Br)C[C@H]2CCCCC23CC3)c(Br)c1 2264948628 QQZCKHVSHDUAQD-BXUZGUMPSA-N 451.040 7.008 50 10 JKGE C[C@@H](c1ccncc1Br)[C@H](Br)c1cccc(Cl)c1Br 2267978354 UJYLBRQBTFWRMZ-SDBXPKJASA-N 468.414 6.500 50 10 JKGE CCCc1ccc([C@H](Br)c2c(Br)sc(Br)c2Cl)cc1 2268142100 NVYGZPYKVINRED-NSHDSACASA-N 487.482 7.363 50 10 JKGE COc1ccc([C@@H](Br)CC(C)(C)C(F)(F)F)cc1I 2269544359 LLMDFUFKDVVJNO-VIFPVBQESA-N 451.064 5.714 50 10 JKGE Cc1cc(F)c(Br)cc1[C@@H](Br)Cc1ccc(Br)cc1 2270349240 FSLPSVQMNPWNPT-ZDUSSCGKSA-N 450.971 6.338 50 10 JKGE COc1ccc(C[C@@H](Br)c2ccc(Cl)c(I)c2)cc1F 2283629975 JOZMPZHDYHFYRP-LLVKDONJSA-N 469.519 5.771 50 10 JKGE O=C(Cc1cc(Br)cc(Br)c1)N[C@H](CBr)c1ccsc1 2295314363 WXGOWZQNTSHXPZ-CYBMUJFWSA-N 482.035 5.068 50 10 JKGE COc1c(Br)cc(Cl)c(C)c1[C@H](Br)c1scc(Cl)c1Cl 2295369193 BKSPKZKKGDGEPS-JTQLQIEISA-N 479.448 7.272 50 10 JKGE CCOC(=O)c1c(-c2ccc(C)cc2)csc1NC(=O)C(C#N)=Cc1ccc(O)c(OC)c1 2296833204 MBAIMMGUMAISCU-UHFFFAOYSA-N 462.527 5.160 50 10 JKGE CCc1ccccc1NC(SCc1cccc(F)c1)=C(C#N)S(=O)(=O)c1ccccc1 2297350081 UAYDFPJOGYEJAP-UHFFFAOYSA-N 452.576 5.900 50 10 JKGE CCOc1cc(C=C(C#N)C(=O)Nc2ccc(Cl)cc2[N+](=O)[O-])ccc1OCc1ccc(F)cc1 2297551611 UNIVNWFFEDJAFT-UHFFFAOYSA-N 495.894 5.911 50 10 JKGE CCOc1cc(C=C(C#N)C(=O)Nc2cc(C)cc(C)c2)ccc1OCc1ccccc1C#N 2297616893 FOABEJNONUDZJJ-UHFFFAOYSA-N 451.526 5.699 50 10 JKGE Brc1cc(OCc2ccccc2)ccc1[C@@H](Br)[C@@H]1[C@H]2COCC[C@H]21 2299495110 JVNMQHYGJDKFOZ-DJABAAGCSA-N 452.186 5.747 50 10 JKGE Brc1ccc(OCc2ccccc2)c([C@H](Br)[C@@H]2CC[C@@H]3C[C@H]3C2)c1 2299528315 QNCRNSQIMYSDNW-PZTGFMGMSA-N 450.214 6.900 50 10 JKGE BrCc1ccc(Oc2cc(Br)cc(I)c2)nc1 2301071403 MWFQGONKMDMTQM-UHFFFAOYSA-N 468.914 5.136 50 10 JKGE Cc1c(F)cccc1[C@H](Br)c1cc(Br)ccc1OCc1ccccc1 2314452605 OTKXQNMTZGEGOJ-NRFANRHFSA-N 464.172 6.960 50 10 JKGE N#CC(=Cc1ccc(-c2ccc(Cl)cc2Cl)o1)c1nc(-c2cccc([N+](=O)[O-])c2)cs1 2314572259 XCSRFGDZDGUOQK-UHFFFAOYSA-N 468.321 7.349 50 10 JKGE CC1=C(C#N)C(=O)N(CCCOC(C)C)C(=O)C1=Cc1ccc(-c2cc(Cl)ccc2Cl)o1 2314619059 ZEHPWVVPCAVDNH-UHFFFAOYSA-N 473.356 5.661 50 10 JKGE CC1=C(C#N)C(=O)N(Cc2ccc(F)cc2)C(=O)C1=Cc1ccc(-c2cc(Cl)ccc2Cl)o1 2314619611 CJCTULNUBCKNKT-UHFFFAOYSA-N 481.310 6.185 50 10 JKGE N#CC1=C(N)Oc2cc(OC(=O)C=Cc3ccc(Cl)cc3Cl)ccc2[C@@H]1c1cccc(F)c1 2314634423 QWMZJQJKWYOESS-DEOSSOPVSA-N 481.310 5.969 50 10 JKGE CC(C)(C)OC(=O)N1CCC[C@](CI)(O[C@@H]2CCC3(CCCC3)C2)C1 2320509389 YEJUJJAANOSIFH-OXQOHEQNSA-N 463.400 5.321 50 10 JKGE COc1ccc(OCCCC(=O)Oc2cccc(C=C(C#N)c3ccc(OC)c(OC)c3)c2)cc1 2320511151 LJPQEBCIUMIXCT-UHFFFAOYSA-N 473.525 5.541 50 10 JKGE COc1ccc(C(C#N)=Cc2cccc(OC(=O)c3ccc(-n4cccc4)cc3)c2)cc1OC 2320511360 QYJROKBFHMWYMC-UHFFFAOYSA-N 450.494 5.778 50 10 JKGE Cc1cc(I)ccc1NC=C(C#N)C(=O)Nc1cccc(C(F)(F)F)c1 2324406249 XGXONZBCWCJDMV-UHFFFAOYSA-N 471.220 5.077 50 10 JKGE COc1cccc(C=C2Oc3cc(OCc4ccc(CCl)cc4)cc(C)c3C2=O)c1OC 2325339447 GYQFDMRPSHRXJK-UHFFFAOYSA-N 450.918 5.946 50 10 JKGE CCOc1cc(C=C(C#N)c2nc3ccccc3s2)ccc1OCc1ccc(Cl)cc1Cl 2331025582 RUHHANSZPYANJT-UHFFFAOYSA-N 481.404 7.645 50 10 JKGE CC(C)c1ccccc1O[C@H](C)C(O)=C(C#N)c1nc(-c2cccc(Br)c2)cs1 2331278743 FAYYYNWNJACFEY-OAHLLOKOSA-N 469.404 6.956 50 10 JKGE CCOC(=O)c1ccc(N2C[C@H](C(O)=C(C#N)c3nc(-c4ccc(C)cc4C)cs3)CC2=O)cc1 2331310886 SFIWRZBXIUECKM-LJQANCHMSA-N 487.581 5.449 50 10 JKGE CC[C@H](C)[C@H](C(O)=C(C#N)c1nc(-c2ccc(C)c(C)c2)cs1)N1C(=O)c2ccccc2C1=O 2331385215 KGVFROGIXIOLBB-NPMXOYFQSA-N 471.582 5.931 50 10 JKGE COc1ccc(OC)c(C=CC(O)=C(C#N)c2nc(-c3cc(C(C)(C)C)ccc3C)cs2)c1 2331397108 JEPSNOAUWNWMGW-UHFFFAOYSA-N 460.599 6.939 50 10 JKGE CCCN[C@@H](c1c(C)c(Br)cc(C)c1Br)[C@@H]1C[C@H]1Br 2332925988 VQVLWPGNYJNQEE-IXPVHAAZSA-N 454.044 5.653 50 10 JKGE FC1(F)[C@@H]2CC[C@H]([C@H](Br)c3cc(Br)ccc3OCc3ccccc3)C[C@H]21 2336076673 BBDONBQTPIAMCS-IVGZAAIESA-N 486.194 7.146 50 10 JKGE Fc1c(Br)cc(Cl)c([C@@H](Br)[C@H]2[C@H]3CCCC[C@H]32)c1Br 2337084248 JFWSDDFXXSYHIR-HAQMSTGISA-N 475.421 6.876 50 10 JKGE CCCc1sc(Br)cc1[C@@H](Cl)c1ccc(C)c(I)c1 2338016396 AGPXNOGKDOKLHZ-HNNXBMFYSA-N 469.613 6.704 50 10 JKGE COc1c(Br)cc(C)c([C@H](Br)[C@@H]2COC[C@H]2C)c1Br 2339653233 HKBBCPDPCMBSKX-KBVBSXBZSA-N 457.000 5.247 50 10 JKGE Cc1cc(Br)c(F)c(Br)c1[C@H](Br)[C@@H]1CCO[C@H](C)C1 2339684756 CHZYUHHRVFVBKQ-KBVBSXBZSA-N 458.991 5.910 50 10 JKGE CCOc1ccc(Br)cc1[C@@H](Br)c1csc(C)c1Br 2343558369 QWWGYCXXSFZNDR-CQSZACIVSA-N 469.036 6.465 50 10 JKGE Brc1cc(CN2CC[C@@]3(CCC[C@@H]3Br)C2)ccc1I 2349834329 KGQDHDCDSROGMP-GJZGRUSLSA-N 499.028 5.193 50 10 JKGE Fc1cc(Cl)c(Br)c(Cl)c1[C@@H](Br)[C@@H]1CCCCC1(F)F 2360424510 SXDALFKPBFXITI-WKEGUHRASA-N 454.939 7.157 50 10 JKGE CC(C)(C[C@@H](Cl)c1c(Cl)cc(Br)c(F)c1Br)C(F)(F)F 2362233777 CVDFJSNFRNAXAF-SSDOTTSWSA-N 460.918 7.263 50 10 JKGE Fc1cc(CBr)c(Oc2ccc(Cl)c(Cl)c2Br)cc1Cl 2362460852 LQUQHQQTQLOILX-UHFFFAOYSA-N 463.355 7.236 50 10 JKGE Fc1ccc(C(F)F)c([C@H](Cl)c2c(Br)sc(Br)c2Cl)c1 2363675916 HNUBWCIHLAHCNH-QMMMGPOBSA-N 468.947 7.331 50 10 JKGE COc1c(Br)cc(C)c([C@H](Br)[C@H]2CCC[C@@H]3C[C@H]23)c1Br 2365190149 BTXUVIWJCJIBPH-YAMSLAJTSA-N 467.039 6.401 50 10 JKGE COc1c(Br)cc(C)c([C@H](Br)C2CC(C3CC3)C2)c1Br 2365190443 FEMYQMFBELIHGF-QIMFLAQGSA-N 467.039 6.401 50 10 JKGE COc1c(F)cc([C@@H](Br)c2ccc(F)cc2I)cc1F 2370436785 JHTRHEULLIJANE-CYBMUJFWSA-N 457.027 5.201 50 10 JKGE CCOc1cccc(NC(=O)/C(C#N)=C/c2cc(C)n(-c3sc4c(c3C#N)CCCC4)c2C)c1 1195184 YRGNBAAHTDRHTJ-DEDYPNTBSA-N 470.598 5.851 50 10 JKGE C=CCOc1c(Br)cc(/C=C(/C#N)C(=O)N[C@@H](C)c2ccccc2)cc1Br 15945123 ZPJWOWAJNFQABW-XGHPXPSOSA-N 490.195 5.561 50 10 JKGE COc1ccccc1Oc1nc2c(C)cccn2c(=O)c1/C=C(\C#N)c1nc2ccccc2s1 33588005 IAOYLDDCXQFFBT-SAPNQHFASA-N 466.522 5.478 50 10 JKGE COc1cc(/C=C(\C#N)c2nc(-c3cccc([N+](=O)[O-])c3)cs2)ccc1OCC(=O)c1ccccc1 33932613 LZHBTYVTQUNRDT-CIAFOILYSA-N 497.532 6.053 50 10 JKGE CCCCCOC(=O)c1ccc(NC(=O)/C(C#N)=C\c2ccc(-c3ccc(Cl)cc3Cl)o2)cc1 34781143 YMPYAQQUGOBUGT-JXAWBTAJSA-N 497.378 7.146 50 10 JKGE N#CC1=C(N)Oc2cc(OC(=O)c3ccccc3F)ccc2[C@H]1c1ccc(Cl)cc1Cl 38655550 CCBWQRZYYUBBBY-OAQYLSRUSA-N 455.272 5.570 50 10 JKGE CCc1ccc(O[C@@H](C)C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@@H]3c2cccc3ccccc23)cc1 38657918 CJOMFMIUWABMRW-ADXZGYQBSA-N 490.559 5.993 50 10 JKGE Cc1ccc(Cl)cc1NC(=O)c1oc2c(c1C)/C(=N/NC(=O)c1cccc3ccccc13)CCC2 40813563 ATESKAMXFSMFIV-DFKUXCBWSA-N 485.971 6.426 50 10 JKGE Cc1ccc(OC(=O)c2oc3c(c2C)/C(=N/NC(=O)c2cccc4ccccc24)CCC3)cc1 40813622 KGKXMJXJNHONDO-BYNJWEBRSA-N 452.510 5.739 50 10 JKGE CCN(C(=O)c1oc2c(c1C)/C(=N/NC(=O)c1ccc3ccccc3n1)CCC2)c1cccc(C)c1 40825908 JAUCQUQVBXZOMP-UQRQXUALSA-N 480.568 5.582 50 10 JKGE Cc1ccc(NC(=O)/C(C#N)=C\c2cc(Cl)ccc2OCc2ccccc2Cl)cc1C 59145737 JVOHLOMWZJVHJQ-NDENLUEZSA-N 451.353 6.735 50 10 JKGE N#C/C(=C/c1ccc(Cl)cc1)c1nc(-c2ccc(-c3ccc(Cl)cc3Cl)o2)cs1 83305942 FDXNRDDSWJBSSU-ZROIWOOFSA-N 457.769 8.094 50 10 JKGE CC1(C)[C@H](Br)C[C@H]1Oc1c(Br)cc(Br)cc1Br 97646544 YHRKVHBPNLYKRR-NXEZZACHSA-N 491.843 5.915 50 10 JKGE Cc1cc2nc3c(nc2cc1C)[C@@]1(C(=O)NNC(=O)c2ccc(Cl)cc2Cl)CC[C@@]3(C)C1(C)C 100945814 UXKUCWMPNOZBQH-CLJLJLNGSA-N 497.426 5.344 50 10 JKGE Cc1ccccc1OCCOc1ccc(/C=C(/C#N)C(=O)Nc2nc3ccccc3s2)cc1 102444170 YFLBRKAZNBJRRK-SILNSSARSA-N 455.539 5.608 50 10 JKGE Brc1ccc(Br)c([C@@H](Br)[C@@H]2CCCc3ccccc32)c1 109844857 ZHKWZDPNPOOKHL-PBHICJAKSA-N 459.019 6.768 50 10 JKGE Cc1sc(Br)cc1[C@@H](Br)c1ccc2cc(Br)ccc2c1 159679258 KTHQTURBVHNVBL-INIZCTEOSA-N 475.043 7.219 50 10 JKGE C[C@H](NC(=O)NC[C@]1(C)C[C@@H](N=C=O)CC(C)(C)C1)C1(c2ccc(Br)cc2)CC1 170290052 PEFLRAACNSEDAH-XWFZLUIHSA-N 462.432 5.089 50 10 JKGE CCOC(=O)c1c(NC(=O)/C(C#N)=C\c2ccc(-c3ccccc3)o2)sc2c1CC[C@H](CC)C2 209398669 TWTNALLRISJBHJ-STZPCZCHSA-N 474.582 6.245 50 10 JKGE CC[C@H](C)N1C(=O)C(C#N)=C(C)/C(=C/c2cn(-c3ccccc3)nc2-c2cc(C)ccc2C)C1=O 214256068 LMFUUZCTWFAWKC-FXONECCMSA-N 464.569 5.547 50 10 JKGE Fc1ccc(Br)c([C@@H](Br)c2cc(Br)c(Cl)s2)c1 227846812 WCFCRJXKGZRQDD-SNVBAGLBSA-N 463.391 6.550 50 10 JKGE CCOc1ccc(C)cc1[C@H](Br)c1ccc(I)c(Cl)c1 232343842 IFTMTPIIDUSNBT-MRXNPFEDSA-N 465.556 6.136 50 10 JKGE Cc1ccc(C[C@@H](Br)c2cc(Br)ccc2I)cc1 235863512 YNIHDZMRTLTGJS-CQSZACIVSA-N 479.981 6.041 50 10 JKGE CC(C)[Si](O[C@]1(C)C=CO[C@H](C[C@H]2O[Si](C(C)C)(C(C)C)[C@@H]2C)[C@@]1(C)O)(C(C)C)C(C)C 248339977 UGWVLRFAANQPJW-ZFXZZAOISA-N 484.870 7.545 50 10 JKGE CC(=NNC(=O)c1ccc(Cl)s1)c1ccc(NC(=O)c2ccc(C(C)(C)C)cc2)cc1 252606997 GXHREXNWQHLMJS-UHFFFAOYSA-N 453.995 6.105 50 10 JKGE CCCC(=NNC(=O)c1cc(-c2ccc(OCC)cc2)nc2ccc(C)cc12)c1ccc(Cl)s1 254411297 ATGLTSYBXDCOOZ-UHFFFAOYSA-N 492.044 7.258 50 10 JKGE CCCCCCCCCCCCCC(=O)NCC(=O)NN=Cc1ccc(OCc2ccccc2)cc1 254482928 HYBXBYURDFQMSF-UHFFFAOYSA-N 493.692 6.533 50 10 JKGE Cc1ccc([C@@H]2C(C=NNC(=O)c3ccc([N+](=O)[O-])o3)=C(c3cccs3)Oc3ccccc32)cc1 254752734 ODNHHTAAZORKBW-DEOSSOPVSA-N 485.521 5.909 50 10 JKGE Cc1ccccc1COc1cccc(C=NNC(=O)CSc2nnc(-c3ccccc3)s2)c1 256028295 DKWCILFAIXLWNP-UHFFFAOYSA-N 474.611 5.335 50 10 JKGE COc1cc(C)c([C@H](Br)c2sccc2I)cc1OC 311909830 SBKBUZBSOOMHHC-ZDUSSCGKSA-N 453.139 5.163 50 10 JKGE BrCC(CBr)(Cc1ccccc1)Cc1coc(Br)c1 378948499 NVUUEJYNZYQGOU-UHFFFAOYSA-N 450.996 5.604 50 10 JKGE CC(C)(C)OC(=O)N1C[C@@H](CI)[C@H](c2cc(Cl)cc(Cl)c2)C1 382684461 BCOGMWAAZABMND-RISCZKNCSA-N 456.151 5.379 50 10 JKGE Clc1cnccc1COc1c(Br)cc(Br)cc1CBr 389372919 FJMAJGBHQIHJLW-UHFFFAOYSA-N 470.386 5.734 50 10 JKGE O=C(OCc1ccccc1)N1C[C@H](CI)[C@@H](c2ccc(Cl)s2)C1 394734117 RQTSKAZXZJYHKY-KBPBESRZSA-N 461.752 5.189 50 10 JKGE CC(C)(C)[Si](C)(C)OCCN1CCCC[C@@H]1c1ccc(CO[Si](C)(C)C(C)(C)C)cc1 616614987 OEDJUTCFUYPJSB-XMMPIXPASA-N 463.855 7.757 50 10 JKGE C[C@H]1[C@H](C)CC[C@@]23CC[C@]4(C)[C@](OC2=O)([C@H](F)C[C@@H]2[C@@]5(C)C=C(C#N)C(=O)C(C)(C)[C@@H]5CC[C@]24C)[C@H]13 685945346 FHXMUHQBOOCLHA-YOCAILEHSA-N 495.679 6.590 50 10 JKGE O=C(NC1(CCCl)CCCCC1)c1cc(Br)ccc1I 687327389 OCUADJSYSRLGNG-UHFFFAOYSA-N 470.576 5.115 50 10 JKGE COCc1cc(Br)c([C@@H](Cl)c2ccc(Br)cc2Br)s1 688079679 RHCGIMZJSWHLSI-LBPRGKRZSA-N 489.454 6.510 50 10 JKGE Brc1ccc([C@H](Br)c2cc(Br)c3c(c2)CCCO3)s1 689525867 HZAZCHGBVFHZEF-CYBMUJFWSA-N 467.020 6.082 50 10 JKGE Cc1ccc([C@@H](Br)c2cccc(OCc3ccccc3)c2)c(C)c1Br 719559807 GUCIRTUCYXXYOV-QFIPXVFZSA-N 460.209 7.129 50 10 JKGE O=C(NN=Cc1ccc(Sc2nnc(-c3ccccc3)n2-c2ccccc2)o1)c1cccc(F)c1 1083898768 ULVKHSHVDPCCAP-UHFFFAOYSA-N 483.528 5.582 50 10 JKGE O=C(NN=C1C(=O)N(Cc2c(Cl)cccc2Cl)c2ccccc21)c1cc(F)c(F)cc1Cl 1084051110 GBFMLNMAMNQEEM-UHFFFAOYSA-N 494.712 5.606 50 10 JKGE O=C(CCCC(=O)Nc1ccc(Cl)c(Cl)c1)NN=Cc1ccc(OCc2ccccc2)cc1 1084060591 ZIPKIJGIEPBKFS-UHFFFAOYSA-N 484.383 5.832 50 10 JKGE CCc1ccc(NC(=O)/C(C#N)=C\c2cn(Cc3ccc(Cl)cc3Cl)c3ccccc23)cc1 1084249519 RFWTZDDTZOEKGB-MOSHPQCFSA-N 474.391 7.104 50 10 JKGE Cc1cc(/C=C(\C#N)C(=O)Nc2cccc(Cl)c2Cl)c(C)n1-c1cccc(C(=O)O)c1 1084492384 QYYYUZOQNPFTSL-LICLKQGHSA-N 454.313 5.645 50 10 JKGE Cc1cc(C=NNC(=O)CC[C@@H](O)c2ccccc2)c(C)n1-c1ccc(-c2ccccc2)cc1 1084566662 BVIMTIZZYWJUMJ-MUUNZHRXSA-N 451.570 5.725 50 10 JKGE O=C(OCc1ccccc1)N1C[C@H](CCl)[C@H](c2cc(C(F)(F)F)ccc2Br)C1 1614695934 VOOVIFQTQUBHTB-WMLDXEAASA-N 476.720 6.059 50 10 JKGE CCN(C(=O)c1oc2c(c1C)C(=NNC(=O)c1ccc(-c3ccccc3)cc1)CCC2)c1ccccc1 1772748544 ZCFPUWXTRRSVQG-UHFFFAOYSA-N 491.591 6.392 50 10 JKGE C=C1CC[C@H](O[Si](C)(C)C(C)(C)C)C/C1=C/C=C1\CCC[C@]2(C)[C@@H]1CC[C@@H]2[C@@H](C)CCCC(C)C 1777003581 DWIUSINKAVTSCC-YIOUPEODSA-N 498.912 10.649 50 10 JKGE CC[Si](CC)(CC)OCc1c([Si](CC)(CC)CC)[nH]c2ccc(CS(=O)(=O)NC)cc12 1848438397 SOOGYGLDUGXSHS-UHFFFAOYSA-N 482.839 5.454 50 10 JKGE COc1cc([C@@H]2C(C#N)=C(N)Oc3c2c(C)nn3-c2ccc(C)cc2)ccc1OCc1ccc(C)cc1 1865695192 MGPCGPXEXWHHON-MUUNZHRXSA-N 492.579 5.603 50 10 JKGE CCCCCCOc1ccc([C@@H]2C(C#N)=C(N)Oc3c2c(C)nn3Cc2ccc(F)cc2)cc1OC 1865697040 VCFSYFKOXKHUNF-AREMUKBSSA-N 490.579 5.565 50 10 JKGE Cc1ccc(-n2nc(C(F)(F)F)c3c2OC(N)=C(C#N)[C@H]3c2ccccc2OC(C)C)cc1 1865705087 LTLOCXGNDUYEIL-LJQANCHMSA-N 454.452 5.205 50 10 JKGE CCN(Cc1ccccc1)c1ccc([C@@H]2C(C#N)=C(N)Oc3c2c(C(F)(F)F)nn3CC)cc1 1865706593 ADTBFGPPHQGRBX-HXUWFJFHSA-N 467.495 5.166 50 10 JKGE COc1ccc([C@@H]2C(C#N)=C(N)Oc3c2c(-c2ccccc2)nn3-c2ccccc2Cl)cc1OC 1865706962 KAUJDIJDXXRYCJ-HSZRJFAPSA-N 484.943 5.428 50 10 JKGE CCc1ccc([C@H]2C(C#N)=C(N)Oc3c2c(-c2ccccc2)nn3Cc2ccccc2F)cc1 1865708976 KNJWSCGBFFWDTF-DEOSSOPVSA-N 450.517 5.518 50 10 JKGE Cc1ccc(/C(=C/C(=O)N[C@@H](Cc2ccccc2)C(=O)Nc2ccc(SC#N)cc2)C2CC2)cc1C 1866694020 LBFVQILDZDTPNO-VRQJUXECSA-N 495.648 6.036 50 10 JKGE COc1ccc(Br)cc1/C=C1\Oc2c(ccc(OCc3ccc(CCl)cc3)c2C)C1=O 1871436824 RNJFGWNTWVFDDJ-FMCGGJTJSA-N 499.788 6.700 50 10 JKGE COC(=O)c1ccc2c(O)nc(/C(C#N)=C/c3ccc(OCc4cccc(Cl)c4)cc3)nc2c1 1872727573 KVBWWSWVCGLPPN-YBFXNURJSA-N 471.900 5.419 50 10 JKGE CC[C@@H](C)[C@@H](/C(O)=C(\C#N)c1nc(-c2ccc3ccccc3c2)cs1)N1C(=O)c2ccccc2C1=O 1872745669 XPDZEYOKQPOVCI-KBIIDJLVSA-N 493.588 6.467 50 10 JKGE CCOc1ccc(/C=C/C(O)=C(\C#N)c2nc(-c3cccc4ccccc34)cs2)cc1OC 1872751914 HJKINBNTOUWIFU-GYVRPJHISA-N 454.551 6.877 50 10 JKGE COc1c(Cl)cc(Cl)cc1-c1csc(/C(C#N)=C(\O)Cc2ccc(Cl)c(Cl)c2)n1 1872754521 WTTCBCJESUUGGS-AQTBWJFISA-N 486.207 7.468 50 10 JKGE COc1ccc(OC/C(O)=C(\C#N)c2nc(-c3cc(C)c(Cl)cc3OC)cs2)c(C(C)(C)C)c1 1872757079 PTHWZLVKYKGPKM-PYCFMQQDSA-N 499.032 6.958 50 10 JKGE CCCCCCCCCOc1ccc(/C=N/NC(=O)[C@@H](NC(=O)OC(C)(C)C)C(C)C)c(Cl)c1 1873795489 MICBZHOQQDEMID-RCCHARBYSA-N 496.092 6.469 50 10 JKGE Clc1cc(I)c([C@H](Cl)c2ccccc2I)s1 1900919748 PFKHUSGDYNTBIH-SNVBAGLBSA-N 494.950 5.939 50 10 JKGE Cc1c(Br)sc([C@H](Br)[C@@]23CCCC[C@H]2CCC3)c1Br 1922929157 GQTPTIZEVRLCGO-VZJVUDMVSA-N 471.096 7.378 50 10 JKGE Clc1c(Br)sc(Br)c1[C@@H](Br)CC1CCCCCC1 1923038439 JILPTGQYHNZDLZ-VIFPVBQESA-N 479.503 7.723 50 10 JKGE Fc1cc(Cl)cc([C@H](Cl)c2c(Br)sc(Br)c2Br)c1 1924569693 YUGZHJOKGVOULG-VIFPVBQESA-N 497.836 7.156 50 10 JKGE CC1(C)[C@@H]2CC([C@H](Cl)c3c(Br)sc(Br)c3Br)C[C@H]21 1924572302 XZCQTHDDJZFMLI-XSSZXYGBSA-N 477.487 6.998 50 10 JKGE Brc1sc(Br)c([C@H](Br)C[C@H]2CCCO2)c1Br 1924580009 NBEDXHIHGXPOBZ-PHDIDXHHSA-N 497.872 6.041 50 10 JKGE FC(F)(F)COC[C@@H](Cl)c1c(Br)sc(Br)c1Br 1924584529 YWVMVWHXDHCYFR-GSVOUGTGSA-N 481.353 5.894 50 10 JKGE CCC(CBr)(CBr)Cc1c(Br)cccc1Br 1937822702 CURNJZPUMPHMMO-UHFFFAOYSA-N 477.860 5.940 50 10 JKGE Cc1cc(Br)sc1[C@@H](Cl)c1ccc(Br)cc1Br 1950208987 XDXFGDNREQQWLX-NSHDSACASA-N 459.428 6.672 50 10 JKGE FC(F)(F)CC1([C@@H](Br)c2cc(Br)sc2Br)CC1 2007731147 NHWBVXFIWITNKL-ZETCQYMHSA-N 456.947 6.442 50 10 JKGE Clc1ccc(Cl)c([C@@H](Br)Cc2ccccc2I)c1 2027336918 XUQIPVVLNYDVET-LBPRGKRZSA-N 455.948 6.277 50 10 JKGE CN(Cc1ccccc1)[C@@H]1CCCCN(c2ccc(CBr)c(Br)c2)C1 2050047275 RBVLPRHOCWNLOK-HXUWFJFHSA-N 466.261 5.835 50 10 JKGE CCN(C[C@](C)(CI)OC[C@@H]1C[C@@H]1C1CCCC1)C(=O)OC(C)(C)C 2079995893 PEYJQZQLQHJYKF-QKLQHJQFSA-N 465.416 5.280 50 10 JKGE CC(C)(C[C@@H](Br)c1ccc(Br)cc1Br)C(F)(F)F 2083323221 WAQBHLCLMLEFIM-SNVBAGLBSA-N 452.934 6.626 50 10 JKGE Cc1cc(Cl)ccc1[C@H](Br)c1ccc(Br)cc1Br 2083339015 PBRWWGRKUWGGAH-AWEZNQCLSA-N 453.399 6.658 50 10 JKGE Cc1nscc1COc1c(Br)cc(CBr)cc1Br 2085003526 LVWBBFVILZMPLK-UHFFFAOYSA-N 455.997 5.450 50 10 JKGE COc1c(C)cc(Br)cc1[C@@H](Cl)c1cc(I)sn1 2085636495 OFMORZWZIMWXGD-LLVKDONJSA-N 458.546 5.155 50 10 JKGE Clc1ccc([C@@H](Cl)c2ccc(Br)cc2I)c(Cl)c1 2086149517 ORNGBFDONTYFOG-CYBMUJFWSA-N 476.366 6.689 50 10 JKGE O=C(c1cc(Br)sc1Br)N1CC2(CCC2)C[C@H]1CBr 2095170883 OENYFAHMMBMOAC-QMMMGPOBSA-N 472.040 5.053 50 10 JKGE C[C@H]1CN(c2c(CCl)ccc(Br)c2Cl)[C@H](C)[C@H](C)N1Cc1ccccc1 2098116068 FQBPZZNEOYOKTH-HRCADAONSA-N 456.255 6.329 50 10 JKGE BrC[C@@]12CCC[C@H]1CN(Cc1cccc(Br)c1Br)C2 2103172348 MLWOOJWISPPUDY-SWLSCSKDSA-N 452.028 5.209 50 10 JKGE Cc1cc(Br)c([C@H](Cl)c2nn(C)c(Cl)c2Br)cc1Br 2110726975 GZKPJISUNQUKBK-JTQLQIEISA-N 491.836 5.998 50 10 JKGE CN(Cc1ccccc1)CC(C)(C)n1c(CCl)nc2cc(Cl)c(Br)cc21 2112691586 VJEYVVJOPGBXRS-UHFFFAOYSA-N 455.227 6.058 50 10 JKGE O=S(=O)(c1ccc(CBr)cc1Cl)N(Cc1ccccc1)CC1CCCC1 2123211210 UQGZXMMOPNQQRN-UHFFFAOYSA-N 456.833 5.616 50 10 JKGE CC(C)(C)[C@H]1[C@H](Br)CCN1Cc1cccc(Br)c1Br 2128675939 LILOUVPLQQRDTR-TZMCWYRMSA-N 454.044 5.596 50 10 JKGE CC(C)(C)[C@@H]1[C@H](Br)CCN1C(=O)c1csc(Br)c1Br 2128677756 CRPARLRXIBSJAZ-SCZZXKLOSA-N 474.056 5.297 50 10 JKGE Cc1c(Br)ccc([C@H](Br)CC2CC3(CCC3)C2)c1Br 2138871175 DKJUTAYJRLCPTP-CQSZACIVSA-N 451.040 6.926 50 10 JKGE COc1cc(Br)c(C)cc1[C@H](Cl)c1ccc(Br)cc1Br 2145958591 VVLWRSRXOATLCO-OAHLLOKOSA-N 483.425 6.619 50 10 JKGE CC(C)(C)C[C@H](CBr)CNC(=O)c1cc(Cl)ccc1I 2156326422 NKLBYRCYGITQDI-SNVBAGLBSA-N 472.592 5.122 50 10 JKGE ClCc1nc2cc(Br)c(Cl)cc2n1Cc1cc(Br)cs1 2159868842 RLCTVXFVIMAHGO-UHFFFAOYSA-N 455.002 6.063 50 10 JKGE CC[C@H](Cl)[C@@H]1CCCCN1C(=O)c1cc(Br)ccc1I 2170619692 VLQYSXODNANTLJ-JSGCOSHPSA-N 470.576 5.066 50 10 JKGE O=C(c1cc(Br)cc(Br)c1)N1C[C@@H](Br)CCC12CCC2 2174541263 WTZNADURRNAJJY-NSHDSACASA-N 466.011 5.134 50 10 JKGE Cc1c(Br)ccc([C@@H](Br)[C@@H]2CCCC(C)(C)CC2)c1Br 2203681309 AHEUZCYYDLYLLH-WBMJQRKESA-N 467.083 7.563 50 10 JKGE Cc1c(Br)ccc([C@@H](Br)c2cc3ccccc3s2)c1Br 2203682396 DPRHCLVMXJJCMH-MRXNPFEDSA-N 475.043 7.219 50 10 JKGE COc1cc(Br)c([C@@H](Br)c2nscc2Br)cc1C 2220447628 UUINXNLJKDJZEP-LLVKDONJSA-N 455.997 5.469 50 10 JKGE COCC1(C[C@@H](Br)c2c(Br)cc(Cl)c(Cl)c2Cl)CC1 2224309788 CUNDZOAFGHWLFX-MRVPVSSYSA-N 451.413 6.662 50 10 JKGE Cc1csc([C@H](Br)c2c(Br)cc(C)c(Br)c2C)c1Cl 2227352555 QIUQBYFEUJHAIL-GFCCVEGCSA-N 487.482 7.336 50 10 JKGE Cc1cc(Br)c([C@@H](Br)C23CC(C)(CO2)C3)c(C)c1Br 2227359150 FQDUNMDUCVMHTK-WLYUNCDWSA-N 453.012 5.834 50 10 JKGE Clc1cc(Br)c([C@H](Br)[C@H]2CCCC23CCC3)c(Cl)c1Cl 2232509837 FCPNINANWDVDCP-PRHODGIISA-N 461.452 7.816 50 10 JKGE C[C@H](Cl)c1nc2c(F)cc(Br)cc2n1[C@H]1CN(Cc2ccccc2)C[C@@H]1C 2232915837 ISUYLDRNZSOEMM-NJSLBKSFSA-N 450.783 5.931 50 10 JKGE COc1cc(Cl)ccc1[C@H](Br)c1cc(Br)c(Br)cc1F 2233975575 KGJZXFTXBJICMR-AWEZNQCLSA-N 487.388 6.497 50 10 JKGE Cc1cc(Br)c([C@H](Br)Cc2ccccc2Cl)c(C)c1Br 2235604638 OORVEYCZARNEKU-CYBMUJFWSA-N 481.453 7.161 50 10 JKGE Cl[C@@H](c1ccc2c(c1Br)CCO2)c1c(Br)cccc1Br 2238077167 QWNGGSLOZLXWDO-HNNXBMFYSA-N 481.409 6.237 50 10 JKGE Clc1sc(Cl)c([C@H](Br)c2scc(Br)c2Cl)c1Cl 2246464722 FSGNYGHLDPVSOA-BYPYZUCNSA-N 475.869 7.670 50 10 JKGE Fc1cc(Br)c([C@H](Br)c2scc(Br)c2Cl)c(F)c1F 2264604484 DLJZQCFTUWMZNB-ZETCQYMHSA-N 499.371 6.828 50 10 JKGE CC[C@H](C)c1ccc([C@@H](Br)c2ccc(Cl)c(I)c2)cc1 2283587546 VVSOIJVHDSUFFE-APPDUMDISA-N 463.584 6.942 50 10 JKGE Cc1cc(F)c(Br)cc1[C@@H](Br)c1cc(Br)c(Cl)cc1F 2285939702 QHFLFXVZTPGZPJ-CQSZACIVSA-N 489.379 6.936 50 10 JKGE Clc1ccc(I)cc1O[C@@H]1C[C@H](Br)[C@@]12CCCC21CC1 2288256238 MDWQEZUSKLLBHT-LZWOXQAQSA-N 467.572 5.810 50 10 JKGE CCCC[C@@H](C)CC[C@H](Br)c1c(F)cc(Br)c(F)c1Br 2288345832 UPRYVELJWMFLET-ZJUUUORDSA-N 477.025 7.532 50 10 JKGE CCC1CCC([C@@H](Br)c2c(F)cc(Br)c(F)c2Br)CC1 2288492045 APKRCWRPXYFOQX-KJHLLKJSSA-N 475.009 7.142 50 10 JKGE CCOc1ccc(NC(=O)C(C#N)=Cc2cc(Cl)ccc2OCc2ccc(C(=O)O)cc2)cc1 2293100691 RTKBUMZGCHJZEU-UHFFFAOYSA-N 476.916 5.562 50 10 JKGE 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@]12C 2295148247 PMVJGSYGUZXDAR-AALSTEHBSA-N 496.561 8.831 50 10 JKGE COc1cc(OC)c([C@H](Br)c2scc(Br)c2C)cc1Br 2295421403 NULVRZNOOLEEOD-ZDUSSCGKSA-N 485.035 6.083 50 10 JKGE COc1cc(OC)c([C@H](Br)c2cc(Br)oc2C)cc1Br 2295437867 RMXVOWQALIPREC-CQSZACIVSA-N 468.967 5.615 50 10 JKGE Cc1c(Cl)cc([C@H](Cl)c2cc3sc(Br)cc3s2)cc1Br 2295510868 BGBOSKFEYCNMCZ-AWEZNQCLSA-N 471.066 7.778 50 10 JKGE O=C(CSc1nc2ccccc2n1Cc1ccccc1Cl)NN=CC=Cc1ccco1 2296679474 XGXNBYXDSDRMOP-UHFFFAOYSA-N 450.951 5.239 50 10 JKGE C=CCOc1ccc(-c2nn(-c3ccccc3)cc2C=C(C#N)C(=O)NCc2cccnc2)cc1C 2296729491 RETAXJPLYVOCRK-UHFFFAOYSA-N 475.552 5.031 50 10 JKGE CC[C@H](C)Oc1c(I)cc(C=C(C#N)c2ccc(C(=O)O)cc2)cc1OC 2297378572 FFJSOGJFBBKZNH-ZDUSSCGKSA-N 477.298 5.239 50 10 JKGE FC1(F)[C@@H]2CC[C@@H]([C@@H](Br)c3sc(Cl)cc3I)[C@@H]21 2300956920 HCVDYRMZSUUDPB-UVYAHXQWSA-N 453.517 5.733 50 10 JKGE Brc1cc(CC[C@H](Br)c2ccco2)ccc1I 2306216455 GJVYGGJGPFJSLH-JTQLQIEISA-N 469.942 5.716 50 10 JKGE COc1cc(C=C(C#N)C(=O)Nc2ccccc2)ccc1OCc1c(Cl)cccc1Cl 2313630251 BIGRTIFEGONBOH-UHFFFAOYSA-N 453.325 6.127 50 10 JKGE N#CC(=Cc1ccc(OCc2c(Cl)cccc2Cl)cc1)C(=O)Nc1cccc2ccccc12 2313681177 QHZULELTSKCRHL-UHFFFAOYSA-N 473.359 7.271 50 10 JKGE FC(F)([C@H]1CCOC1)[C@H](Br)c1ccc(OCc2ccccc2)cc1Br 2314443877 JAKYXNZMFILDHB-KBXCAEBGSA-N 476.155 6.136 50 10 JKGE FC1(F)CC[C@@H]2[C@H]([C@H](Br)c3ccc(OCc4ccccc4)cc3Br)[C@H]21 2314448247 GJIIBBCRNDFAGT-XGXHKWSGSA-N 472.167 6.755 50 10 JKGE Cl[C@@H](Cc1ccccc1Br)c1cc(Br)ccc1OCc1ccccc1 2314453449 WVAKLJAUWVOUBW-FQEVSTJZSA-N 480.627 7.313 50 10 JKGE Cc1cc(Br)cc([C@H](Cl)c2ccc(OCc3ccccc3)cc2Br)c1 2314494401 IPZYIXDMRBCDTK-NRFANRHFSA-N 480.627 7.427 50 10 JKGE CC1(C)OCCC[C@@H]1[C@@H](Br)c1ccc(OCc2ccccc2)cc1Br 2314499807 HECXWFJRXMVOPY-QUCCMNQESA-N 468.229 6.669 50 10 JKGE Brc1ccc(OCc2ccccc2)c([C@H](Br)[C@@H]2C[C@H]3C[C@H]2[C@@H]2C[C@@H]32)c1 2314500984 SKGQJTPJDCCICY-RLVSAJIQSA-N 462.225 6.756 50 10 JKGE COC(=O)c1c(NC(=O)C(C#N)=Cc2ccc(-c3cccc(Cl)c3)o2)sc2c1CCCC2 2314572396 ZZZXMEDOLFWXJA-UHFFFAOYSA-N 466.946 5.873 50 10 JKGE CCCCCCCOc1ccc(C=C2C(=O)N(C[C@H]3CCCO3)C(=O)C(C#N)=C2C)cc1OCC 2314618118 HOCDEKNQOQDFNV-JOCHJYFZSA-N 480.605 5.206 50 10 JKGE COc1ccccc1[C@@H]1C(C#N)=C(N)Oc2cc(OC(=O)C=Cc3ccc(C(C)(C)C)cc3)ccc21 2314634274 VCJLGNVZLVEXSO-NDEPHWFRSA-N 480.564 5.830 50 10 JKGE CC(C)(C)[C@@H]1CC[C@@H]1[C@H](Br)c1cc(Br)ccc1OCc1ccccc1 2320103833 LRMRUHGNDZUADX-DSKINZAPSA-N 466.257 7.536 50 10 JKGE CCCCCCCCCOc1ccc(C=NNC(=O)c2sc(=N)[nH]c2CC)c(Cl)c1 2323177248 PILMTVVKMKVTBK-UHFFFAOYSA-N 451.036 5.665 50 10 JKGE CC(C)[C@H](NC(=O)OC(C)(C)C)C(=O)NN=Cc1cccc(OCc2ccc(Cl)cc2Cl)c1 2328799255 VVJQQEYJIWDERP-NRFANRHFSA-N 494.419 5.572 50 10 JKGE N#CC(=Cc1ccc(-n2nc(-c3ccccc3)cc2-c2ccccc2)cc1)c1ccc(Cl)cc1F 2331063880 LHQDHYSJVSEYDJ-UHFFFAOYSA-N 475.954 8.063 50 10 JKGE CCCCc1ccc(-c2csc(C(C#N)=C(O)Cc3ccc(Br)cc3)n2)cc1 2331254519 WRWIQSVIAPAAMI-UHFFFAOYSA-N 453.405 6.951 50 10 JKGE Cc1ccc(C(C)(C)C)cc1-c1csc(C(C#N)=C(O)c2ccc(NS(C)(=O)=O)cc2)n1 2331396336 NJKPNHIPJRYPGF-UHFFFAOYSA-N 467.616 5.737 50 10 JKGE Fc1c(Br)cc(Cl)c([C@H](Br)[C@H]2C[C@H]3CC[C@H]2C3)c1Br 2337092646 UCTGCTHOXATDKF-GLTNYXDESA-N 475.421 6.876 50 10 JKGE COc1cccc(Oc2cc(Br)cc(I)c2)c1CCl 2338756195 XIGIFUTYGKXUQG-UHFFFAOYSA-N 453.501 5.593 50 10 JKGE Cc1cc(C(F)(F)F)sc1[C@@H](Cl)c1sc(Cl)cc1I 2338770399 JSJTVOZUYVIZJI-MRVPVSSYSA-N 457.107 6.723 50 10 JKGE CCC1CC([C@H](Br)c2c(C)cc(Br)c(OC)c2Br)C1 2339657461 YEQQHXQVIRBLOD-ZPPKWKGLSA-N 455.028 6.401 50 10 JKGE CCC1CC(C[C@H](Br)c2c(C)cc(Br)c(F)c2Br)C1 2339683420 CULHXYSPOPTCEV-ILDUYXDCSA-N 457.019 6.921 50 10 JKGE CCN(C[C@](C)(CBr)OCc1cc(F)ccc1C(F)F)C(=O)OC(C)(C)C 2363555727 LAXIULBOHKEZDU-IBGZPJMESA-N 454.327 5.691 50 10 JKGE Clc1cccc([C@@H](CBr)OCc2c(Br)cccc2Br)c1 2366145543 UNHQSDVWJUXGOV-OAHLLOKOSA-N 483.425 6.518 50 10 JKGE ClC[C@H](Cc1ccccc1Br)Cc1ccc(Cl)cc1I 2366715485 QPYVTOZQIMDNHU-LLVKDONJSA-N 484.002 6.347 50 10 JKGE Cc1scc([C@@H](Br)c2cc3c(cc2Br)NC(=O)C3)c1Br 2369587269 OZFZNNBQVXOJPF-AWEZNQCLSA-N 480.019 5.560 50 10 JKGE Cc1cccc(COc2ccc3ccccc3c2/C=N/NC(=O)CSc2nc3ccccc3[nH]2)c1 32520641 QTZMMOZYXRGDKI-MUFRIFMGSA-N 480.593 5.846 50 10 JKGE N#C/C(=C/c1ccc(Br)o1)c1nc(-c2cc3c(ccc4ccccc43)oc2=O)cs1 33391308 XHOSAJNIHRFYPO-ZROIWOOFSA-N 475.323 6.489 50 10 JKGE N#C/C(=C/c1cc2c(cc1Br)OCO2)c1nc(-c2cc3ccccc3oc2=O)cs1 33936619 PWMGSDVOFJZJCM-RZNTYIFUSA-N 479.311 5.472 50 10 JKGE CCOC(=O)/C(C#N)=C\c1cn(-c2ccccc2)nc1-c1cccc(OCc2ccc(C)cc2)c1 35446137 BGYFOEPCZXHGJZ-JLPGSUDCSA-N 463.537 5.897 50 10 JKGE CCCn1c(-c2ccc(C(=O)NNC(=O)c3cccc4ccccc34)s2)nc2ccccc21 35554264 DRWJPAGGWLQWOJ-UHFFFAOYSA-N 454.555 5.403 50 10 JKGE CCCCCOc1ccc(C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@@H]3c2ccccc2OC)cc1 38650027 YHXZSEXKGMOLQQ-HHHXNRCGSA-N 484.552 5.702 50 10 JKGE Cc1cccc(OCC(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@@H]3c2ccc(Cl)cc2)c1C 38651393 LHQNCKBNWBSQIJ-RUZDIDTESA-N 460.917 5.159 50 10 JKGE CCCOc1ccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4cccs4)ccc32)cc1OCC 38683848 BLDHMNIHYOHQBU-XMMPIXPASA-N 476.554 5.373 50 10 JKGE CCCOc1cccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)[C@@H](C)Oc4ccc(F)cc4)ccc32)c1 38684446 ANVFVJYBYRPMBP-WGDIFIGCSA-N 488.515 5.206 50 10 JKGE Cc1ccccc1C(=O)Oc1ccc2c(c1)OC(N)=C(C#N)[C@H]2c1cccc(OCc2ccccc2)c1 38686500 KHBIPALPBJSDET-LJAQVGFWSA-N 488.543 6.011 50 10 JKGE CCCCc1ccc(NC(=O)/C(C#N)=C/c2ccc3noc(-c4ccc(Cl)cc4)c3c2)cc1 39884496 XJYVGGDAXRZBEN-RCCKNPSSSA-N 455.945 7.036 50 10 JKGE Cc1cccc(C)c1OCC(=O)Oc1ccc2c(c1)OC(N)=C(C#N)[C@H]2c1c(Cl)cccc1Cl 40529633 OJUNEJZRRBCUIA-QHCPKHFHSA-N 495.362 5.813 50 10 JKGE CCOc1cccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)[C@H](C)Oc4ccc(C(C)C)cc4)ccc32)c1 40530198 IYNBSVHPTJNGGF-VKGTZQKMSA-N 498.579 5.800 50 10 JKGE Cc1ccc2c(CC(=O)N/N=C3\CCCc4oc(C(=O)N(C)Cc5ccccc5)c(C)c43)coc2c1C 40826752 CGWKGMXDMUZEFT-QFMPWRQOSA-N 497.595 5.623 50 10 JKGE O=C(CSc1nc(-c2ccccc2)cs1)N/N=C/c1ccc(OCc2ccc(Cl)cc2)cc1 40924622 ZNTKQJVWMMHFMA-MZJWZYIUSA-N 494.041 6.285 50 10 JKGE O=C(CSc1nc(-c2ccc(Cl)cc2)cs1)N/N=C/c1ccccc1OCc1ccccc1 40924834 CKEMDUHUSNLFIW-MZJWZYIUSA-N 494.041 6.285 50 10 JKGE CCOc1ccccc1/C=N/NC(=O)CCCOc1ccc(C(C)(C)C)cc1Br 40951416 LATXUCZACZORGR-PCLIKHOPSA-N 461.400 5.455 50 10 JKGE COc1cccc(/C=C(/C#N)C(=O)Nc2ccc(Cl)cc2)c1OCc1ccc(Cl)c(Cl)c1 59116993 BOICUIQRGXBPFA-ATVHPVEESA-N 487.770 6.780 50 10 JKGE Cc1ccc(C(=O)N/N=C2/C(=O)N(Cc3c(Cl)cccc3Cl)c3ccccc32)cc1Cl 59157064 MBXDTFQOOBSISJ-SZXQPVLSSA-N 472.759 5.636 50 10 JKGE CCC(CC)(CBr)COc1c(Br)cc([N+](=O)[O-])cc1Br 96870048 ZKWKEHVFJWZJBL-UHFFFAOYSA-N 473.987 5.700 50 10 JKGE Cc1ccc([C@@H](Br)c2cc(Cl)c(Br)cc2F)cc1Br 97896116 CQPYDQGBNDBKKF-CQSZACIVSA-N 471.389 6.797 50 10 JKGE COc1cc(Br)c([C@@H](Br)Cc2ccc(Br)cc2)cc1OC 109860550 BCJKYOBVSHNTDT-ZDUSSCGKSA-N 479.006 5.908 50 10 JKGE CCOc1cc(Br)c([C@H](Br)c2ccc(Cl)s2)cc1OCC 109864963 SBHDHDAGARQEGV-HNNXBMFYSA-N 454.611 6.446 50 10 JKGE COc1ccc([C@@H](Br)c2ccc(Br)cc2OC)cc1Br 160770585 YCECKEDCCLBBCE-OAHLLOKOSA-N 464.979 5.713 50 10 JKGE COc1ccc(F)cc1[C@H](Br)c1cc(Br)ccc1Br 161087916 UJXULGKVDMCLJR-CQSZACIVSA-N 452.943 5.844 50 10 JKGE Brc1cccc(CO[C@H](CI)c2cccc(Br)c2)c1 162544695 GKHAOIAYDYJUIF-OAHLLOKOSA-N 495.980 5.905 50 10 JKGE CCOc1ccc(/C=C(/C#N)C(=O)N(c2cccc(C)c2C)S(=O)(=O)c2ccccc2)cc1OC 207131216 YXVMLWJIQFPVKC-JWGURIENSA-N 490.581 5.040 50 10 JKGE C=CCN1C(=O)C(C#N)=C(C)/C(=C/c2cn(-c3ccccc3)nc2-c2ccc(OCCC)cc2C)C1=O 214352285 OFENFYICURYTEW-ONUIUJJFSA-N 492.579 5.415 50 10 JKGE CC(C)(C)c1ccc([C@@H](Br)c2ccc(I)c(Cl)c2)cc1 232343078 GTHPEPSETHKNKF-MRXNPFEDSA-N 463.584 6.726 50 10 JKGE COc1cc(F)c(Br)cc1[C@@H](Cl)c1cc(Br)sc1Br 234876360 UFGPAJHQADHOKE-LLVKDONJSA-N 493.417 6.512 50 10 JKGE COc1cc(F)c(Br)cc1[C@H](Br)c1cc(Br)ccc1F 234912591 IKSKNXHNPUMRFC-CQSZACIVSA-N 470.933 5.983 50 10 JKGE Clc1cc(Oc2ccc(CBr)c(Br)c2)c(Cl)cc1Br 236061360 NNHCZLZMNDYYFB-UHFFFAOYSA-N 489.816 7.206 50 10 JKGE CCn1c(SCC(=O)NN=Cc2c(O)ccc3ccccc23)nnc1-c1ccc(C(C)(C)C)cc1 254597955 QZVWYPTXADVVEH-UHFFFAOYSA-N 487.629 5.364 50 10 JKGE O=C(NN=CC1=C(c2ccccc2)Oc2ccccc2[C@@H]1c1ccccc1)c1ccc([N+](=O)[O-])o1 254846516 MHOYKVUBLKYOGY-VWLOTQADSA-N 465.465 5.539 50 10 JKGE C[C@@H](Br)C[C@@H]1CCCCN1C(=O)c1ccc(Br)cc1Br 312402507 QJDVRUFFYQNBDK-PWSUYJOCSA-N 468.027 5.380 50 10 JKGE CCOc1ccc([C@H](Br)c2c(C)cccc2Br)c(Br)c1 380319628 NKHRNPTWOQCAPI-INIZCTEOSA-N 463.007 6.403 50 10 JKGE CCOc1ccc([C@H](Br)c2cn(CC)c(Br)n2)c(Br)c1 698388458 CKDOAXAKTDYMRL-ZDUSSCGKSA-N 466.999 5.311 50 10 JKGE Cc1ccc([C@H](Br)c2ccc(OCc3ccccc3)cc2)c(C)c1Br 719559182 FBTDDSVTZFPZTJ-JOCHJYFZSA-N 460.209 7.129 50 10 JKGE Cc1ccc([C@@H](Cl)c2cc(Br)sc2Br)c(C)c1Br 719608563 LKJWPMRXOJUGSF-GFCCVEGCSA-N 473.455 6.981 50 10 JKGE Cc1ccccc1CNC(=O)[C@@H](c1cccs1)N(C(=O)CCl)c1cccc(C(F)(F)F)c1 725237369 FKONMIHSQGUMBP-OAQYLSRUSA-N 480.939 5.705 50 10 JKGE CCOc1ccc(C=NNC(=O)c2ccc(-n3c(C)ccc3-c3ccccc3)cc2)cc1OCC 1084333643 LKYNUGDLRBSKQZ-UHFFFAOYSA-N 467.569 6.014 50 10 JKGE COc1cc(C=NNC(=O)CC[C@@H](O)c2ccccc2)c(Br)cc1OCc1ccccc1 1084584562 DAKQNXGMZFQZDQ-JOCHJYFZSA-N 497.389 5.001 50 10 JKGE CCN(C(=O)c1oc2c(c1C)C(=NNC(=O)c1ccc(Cl)c([N+](=O)[O-])c1)CCC2)c1ccccc1 1772746865 AYFDYIHGRAOVHG-UHFFFAOYSA-N 494.935 5.287 50 10 JKGE Cc1c(C(=O)Nc2nccs2)oc2c1C(=NNC(=O)c1ccc(Cl)cc1Cl)CCC2 1772748777 UBPRHBGRWVXXQC-UHFFFAOYSA-N 463.346 5.074 50 10 JKGE COc1cc(C=NNC(=O)COc2ccccc2C(C)(C)C)ccc1OCc1ccccc1Cl 1772752815 FXYVCVVLUOQLBE-UHFFFAOYSA-N 480.992 5.754 50 10 JKGE COc1cc(C=NNC(=O)[C@H](C)Oc2ccc(C(C)(C)C)cc2)ccc1OCCc1ccccc1 1772756421 YDZJMPZUZGAPCI-NRFANRHFSA-N 474.601 5.532 50 10 JKGE Cc1nn(-c2cccc3ccccc23)c2c1[C@H](c1ccc(OCc3ccccc3)cc1)C(C#N)=C(N)O2 1865689860 FFMWNTWGYJLXMG-GDLZYMKVSA-N 484.559 6.131 50 10 JKGE CCN(CC)c1ccc([C@@H]2C(C#N)=C(N)Oc3c2c(-c2ccc(OC)cc2)nn3-c2ccccc2)cc1 1865701734 DAYYPKHHLCXPNY-AREMUKBSSA-N 491.595 5.612 50 10 JKGE CCOc1cc([C@@H]2C(C#N)=C(N)Oc3c2c(C)nn3-c2ccccn2)ccc1OCc1ccccc1C 1865702870 HFWSZWNZQCSKHW-HHHXNRCGSA-N 493.567 5.080 50 10 JKGE CCc1nn(Cc2cc(C)ccc2C)c2c1[C@@H](c1ccc(C(F)(F)F)cc1)C(C#N)=C(N)O2 1865710808 JDFOIKCBZILDTI-NRFANRHFSA-N 452.480 5.348 50 10 JKGE COc1cccc([C@H]2C(C#N)=C(N)Oc3c2c(-c2ccccc2)nn3Cc2ccc(Cl)cc2)c1 1865711609 CJFDCWPQLGQIET-QHCPKHFHSA-N 468.944 5.479 50 10 JKGE CCOC(=O)c1c(-c2ccc(OC)cc2)csc1NC(=O)/C(C#N)=C/c1cccc(Cl)c1 1866129741 IXPCLQIHYYFCAR-GZTJUZNOSA-N 466.946 5.799 50 10 JKGE COc1ccc(-c2csc(/C(C#N)=C(\O)[C@H](CCSC)N3C(=O)c4ccccc4C3=O)n2)cc1 1872745877 HVBQOALKYURFGU-NNWMPZTLSA-N 491.594 5.029 50 10 JKGE COc1cc(/C(O)=C(\C#N)c2nc(-c3cc(Cl)cc(C)c3OC)cs2)c([N+](=O)[O-])cc1OC 1872757076 PRSXWRLEUGHLHN-HKWRFOASSA-N 487.921 5.656 50 10 JKGE COc1cc(C)c(-c2csc(/C(C#N)=C(\O)c3cc(C(F)(F)F)cc(C(F)(F)F)c3)n2)cc1C 1872757917 CFRMIWNBIRQYBE-JZJYNLBNSA-N 498.448 7.423 50 10 JKGE C[C@H](c1ccccc1)N1C[C@@H](/C(O)=C(\C#N)c2nc(-c3ccc(Cl)s3)cs2)CC1=O 1872758417 YZUWEPRSCJZNLF-JLTGNURUSA-N 455.992 5.927 50 10 JKGE COc1cc(/C=C(\C#N)c2nc(-c3cccs3)cs2)ccc1OCc1ccc(Cl)cc1Cl 1872791756 RQSLJAXLQUUQBL-RQZCQDPDSA-N 499.444 7.830 50 10 JKGE COc1cc(OC)c(-c2csc(/C(C#N)=C/c3ccc(Cl)cc3Cl)n2)cc1Cl 1872793658 LZSLWPDGFKCRBI-LFYBBSHMSA-N 451.762 6.852 50 10 JKGE CCCCOc1ccc(/C=C(\C#N)c2nc(-c3ccc(OC)c(Cl)c3)cs2)cc1OC 1872794646 NXHKYKZHZMIQMF-WOJGMQOQSA-N 454.979 6.724 50 10 JKGE CC(C)C[C@H](NC(=O)OC(C)(C)C)C(=O)N/N=C/c1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1 1873794833 CNPZCZYLIVTGJP-IYAOEYEUSA-N 461.647 5.377 50 10 JKGE N#C/C(=C(/O)c1cc(C(F)(F)F)cc(C(F)(F)F)c1)c1nc(-c2ccc3ccccc3c2)cs1 1873940662 BSDUYMHSWGSXHR-VZCXRCSSSA-N 490.428 7.951 50 10 JKGE COc1cc([C@H](Cl)c2cc(Br)ccc2Br)ccc1Br 1876919083 OKHKDQPRADYPQB-AWEZNQCLSA-N 469.398 6.311 50 10 JKGE Brc1cc([C@@H](Br)c2cc(Br)sc2Br)ns1 1909866066 ZLQJETCAMGEKQQ-ZETCQYMHSA-N 496.869 5.976 50 10 JKGE CO[C@@](C)(COCc1ccccc1)Cn1c(CCl)nc2c(Br)cc(F)cc21 1912654121 PYNLDBFJZQAAOL-HXUWFJFHSA-N 455.755 5.299 50 10 JKGE CC(C)[C@H](CCl)N(Cc1ccccc1)C(=O)c1ccc(Br)c(C(F)(F)F)c1 1915304509 XJEKKIOFZGJCKT-SFHVURJKSA-N 462.737 6.374 50 10 JKGE CCCOc1cccc([C@H](Cl)c2c(Br)sc(Br)c2Cl)c1 1923050720 YQUNPJFBOLHFRK-NSHDSACASA-N 459.030 7.044 50 10 JKGE Clc1c(Br)sc(Br)c1[C@H](Cl)c1cccc2ccccc12 1923065674 GGSXYYSOEAOXRB-GFCCVEGCSA-N 451.010 7.408 50 10 JKGE Fc1cc(Br)c(Cl)cc1[C@@H](Br)c1csnc1Br 1925238225 AVUSRZKBCXYPFL-SECBINFHSA-N 464.379 5.945 50 10 JKGE CC1(C)C[C@@H]([C@H](Br)c2c(Cl)sc(Br)c2Cl)C(C)(C)O1 1925560357 GFZZORFKHGGQAU-XPUUQOCRSA-N 451.051 6.847 50 10 JKGE Clc1sc(Br)c(Cl)c1[C@H](Br)[C@@H]1CCC[C@@H]2CCCC[C@@H]21 1925562479 XZEYBBOMMILFMR-UXCLJVHYSA-N 461.090 7.860 50 10 JKGE Clc1cc(Br)c([C@H](Br)c2ccc(Cl)c(Br)c2)s1 1948829255 RQLNEHXQKTWUHA-SNVBAGLBSA-N 479.846 7.064 50 10 JKGE Cc1cc(Br)sc1[C@H](Cl)c1ccc(I)c(Cl)c1 1950206966 BCMCBVRDHWFAJY-LLVKDONJSA-N 461.977 6.405 50 10 JKGE Cc1cc([C@H](Br)c2ccc(Br)cc2Br)oc1Br 2024283158 NUKINBITPSDYSA-LLVKDONJSA-N 487.811 6.360 50 10 JKGE N#CC(=Cc1ccc(OCc2ccccc2F)cc1)c1nc(O)c2c3c(sc2n1)CCCC3 2042449119 DFHSXHDJXKXLJV-UHFFFAOYSA-N 457.530 6.058 50 10 JKGE FC(F)(F)c1csc([C@H](Br)c2cc(Br)sn2)c1Br 2056490715 MYUNFGMQVHZSFA-SSDOTTSWSA-N 485.970 6.233 50 10 JKGE CC(C)Cc1ccc([C@@H](Br)c2cc(Cl)ccc2I)s1 2087333118 QQPUIPQLTATTHP-HNNXBMFYSA-N 469.613 6.689 50 10 JKGE Brc1cc([C@@H](Br)c2cccc3c2CCCC3)c(Br)s1 2090200934 JJENLUAVZPMYRZ-AWEZNQCLSA-N 465.048 6.636 50 10 JKGE BrCC1C[C@@H]2CC[C@H](C1)N2Cc1ccc(Br)cc1Br 2092261404 PMOYABLBNPTSBP-FTNCPSPGSA-N 452.028 5.350 50 10 JKGE COc1ccc(Br)cc1[C@@H](Br)c1cc(Br)c(OC)s1 2095774096 KMTVSZKQWAXMPY-GFCCVEGCSA-N 471.008 5.775 50 10 JKGE Cc1c(Br)ccc([C@H](Br)C2CC3(CCCC3)C2)c1Br 2138871425 FVOSLLVXXNZXQX-OAHLLOKOSA-N 451.040 6.926 50 10 JKGE CCC[C@@H]1CN(C(=O)c2cc(Br)c(Br)s2)C[C@@H]1CBr 2140768438 DTBMIAOZELTYKB-BDAKNGLRSA-N 474.056 5.156 50 10 JKGE C[C@@H](Br)C[C@H]1CCCCN1Cc1ccc(I)c(Cl)c1 2142942909 HSQFIBOBHGSFKM-DGCLKSJQSA-N 456.593 5.473 50 10 JKGE COc1cc(C)c(Br)cc1[C@@H](Br)c1nn(C)c(Br)c1C 2168216950 XSMWNLOMJDSRBW-GFCCVEGCSA-N 466.999 5.055 50 10 JKGE C[C@H]1CN(C(=O)c2cccc(Br)c2Br)CC[C@@H]1CCBr 2172468367 PXYLFAMJJQXRIN-QWRGUYRKSA-N 468.027 5.095 50 10 JKGE CCc1cc([C@H](Cl)c2cc(I)ccc2Br)c(F)cc1F 2175397628 FCXMTTXYNAFKSC-OAHLLOKOSA-N 471.510 6.223 50 10 JKGE FC(F)[C@H]1CN(Cc2ccccc2)C[C@@H]1n1c(CCl)nc2cccc(Br)c21 2193247740 WHMALPVCJHGXPB-YOEHRIQHSA-N 454.746 5.476 50 10 JKGE COc1c(C)cc(Br)cc1[C@@H](Br)c1cccc(Br)c1Cl 2206570420 RHUJYDRNVNGUQM-ZDUSSCGKSA-N 483.425 6.666 50 10 JKGE Fc1cc(Br)c(Br)cc1[C@H](Cl)c1ccccc1Br 2218598689 VHUPXTDAQYMOIY-CYBMUJFWSA-N 457.362 6.441 50 10 JKGE Brc1ccc(Br)c([C@H](Br)[C@@H]2C[C@H]3CCC[C@H](C3)C2)c1 2225317707 MOJDLVKCUXZFSL-KZTGVZKYSA-N 451.040 6.864 50 10 JKGE COc1cc(F)cc([C@@H](Cl)c2c(Br)sc(Br)c2Br)c1 2226032236 ICGGPCHOADPIGX-SNVBAGLBSA-N 493.417 6.512 50 10 JKGE COc1cc(CBr)cc(Br)c1OCc1ncsc1Br 2226135295 ZYVSLWHSMPTITB-UHFFFAOYSA-N 471.996 5.151 50 10 JKGE CC1([C@@H](Br)c2cc(Br)c(Br)cc2F)CC2(CCC2)C1 2228277856 ZTBYEDJIUFWDBL-ZDUSSCGKSA-N 455.003 6.757 50 10 JKGE Cc1ccc([C@@H](Br)c2ccc(Br)cc2Br)c(F)c1F 2231126091 BRGWJGSVUKQBJN-LBPRGKRZSA-N 454.934 6.283 50 10 JKGE Cc1cc(Br)c([C@H](Br)[C@@]2(C)C[C@@H]2C(F)(F)F)c(C)c1Br 2235604800 HPXVOFMJUXAOBZ-XDTLVQLUSA-N 478.972 6.853 50 10 JKGE O=[N+]([O-])c1ccc(C[C@H](Br)c2cc(Br)c(Br)s2)c(F)c1 2237446399 PKAUUELCMICERY-QMMMGPOBSA-N 487.970 5.999 50 10 JKGE Clc1c(Br)sc(Br)c1[C@H](Br)[C@H]1CCC12CCC2 2247331017 YOYATCJDETZKJI-HTRCEHHLSA-N 463.460 6.943 50 10 JKGE COc1ccc([C@@H](Br)c2occc2Br)cc1I 2248884997 ANZZBXOJEWEMRZ-LLVKDONJSA-N 471.914 5.140 50 10 JKGE Cc1sc([C@H](Cl)c2cccc(Br)c2Br)c(Br)c1C 2253516363 MKHSHOYOMIFIOB-GFCCVEGCSA-N 473.455 6.981 50 10 JKGE COc1ccc([C@H](Br)c2coc(Br)c2)c(Br)c1Cl 2256327412 NOIAPDKHPWFWSZ-SNVBAGLBSA-N 459.359 5.951 50 10 JKGE COc1ccc([C@@H](Cl)c2cscc2OCc2ccccc2)c(Br)c1Cl 2256327700 QZFPKIDTNJQCQO-GOSISDBHSA-N 458.204 7.080 50 10 JKGE CCCCc1ccc([C@H](Br)c2cccc(Br)c2Br)s1 2264374750 KALUPBJKBZMMEZ-OAHLLOKOSA-N 467.064 7.100 50 10 JKGE Cc1cc(Br)c([C@@H](Br)c2c(C)nsc2Br)c(C)c1F 2264468627 LQABFYLNZLYGGM-LLVKDONJSA-N 472.015 6.217 50 10 JKGE Brc1ccc([C@@H](Br)C[C@@H]2CCCCC23CC3)c(Br)c1 2264948629 QQZCKHVSHDUAQD-FZMZJTMJSA-N 451.040 7.008 50 10 JKGE CCCc1ccc([C@@H](Cl)c2c(Br)sc(Br)c2Br)cc1 2268142663 VXPFFXCHWGZCBF-GFCCVEGCSA-N 487.482 7.316 50 10 JKGE COc1ccc([C@@H](Br)c2c(Cl)cccc2Cl)c(Br)c1Cl 2283562343 KBERIMPUNADJBD-GFCCVEGCSA-N 459.392 6.902 50 10 JKGE COc1ccc([C@@H](Br)c2ccc(C)cc2Br)c(Br)c1Cl 2283565141 ZPELNUPMTIUNIV-ZDUSSCGKSA-N 483.425 6.666 50 10 JKGE COc1cc(C)c(Br)c(C)c1[C@H](Cl)c1cc(Br)c(Cl)s1 2285057827 MSUKXPDLSAOSEC-CYBMUJFWSA-N 459.030 6.880 50 10 JKGE Fc1cc(Br)c(F)c(Br)c1[C@@H](Br)[C@H]1CC12CCCCC2 2288343803 BWEGXTIEIDCAMH-PELKAZGASA-N 472.993 6.896 50 10 JKGE Fc1cc(Cl)ccc1[C@@H](Br)c1c(F)cc(Br)c(F)c1Br 2288348848 JKVKYOSYZCGBTC-LLVKDONJSA-N 493.342 6.767 50 10 JKGE CC1(C)[C@H]2CO[C@@]1([C@@H](Br)c1c(Br)cc(Cl)c(Cl)c1Cl)C2 2289117882 VINCFJMGDFMZHU-JPLJRGCISA-N 463.424 6.660 50 10 JKGE CCc1ccccc1Oc1coc2cc(OC(=O)C(C#N)=Cc3ccc(OC)cc3)ccc2c1=O 2293190867 CAYYNWJLDLYCRK-UHFFFAOYSA-N 467.477 5.669 50 10 JKGE COc1ccc(NC(=O)C(C#N)=Cc2cccc(OC(=O)c3cccc4ccccc34)c2)c(C)c1 2295189953 BOSMHVNFIXKILJ-UHFFFAOYSA-N 462.505 5.922 50 10 JKGE BrC[C@@]1(Cc2ccc(I)c(Br)c2)C[C@@H]2C[C@@H]2C1 2306231870 NNLXFSXNYLPOIY-GNXNZQSNSA-N 469.986 5.407 50 10 JKGE Cc1ccc(NC(=O)C(C#N)=Cc2ccc(OCc3cccc(C)c3)c(Br)c2)cc1 2313568243 QHRYKBCHVATWDB-UHFFFAOYSA-N 461.359 6.191 50 10 JKGE N#CC(=Cc1cc(Br)ccc1OCc1cccc(F)c1)C(=O)Nc1ccccc1Cl 2313630651 CVLFCZYXYNREHN-UHFFFAOYSA-N 485.740 6.366 50 10 JKGE CCc1ccccc1NC(=O)C(C#N)=Cc1ccc(OCc2ccc(Br)cc2)cc1 2313670692 POXIJJNHMAHHLZ-UHFFFAOYSA-N 461.359 6.136 50 10 JKGE CCOc1cc(C=C(C#N)C(=O)Nc2ccccc2CC)ccc1OCc1ccc(Cl)cc1Cl 2313681101 IAVRNJWZPWROCS-UHFFFAOYSA-N 495.406 7.079 50 10 JKGE N#CC(=Cc1ccccc1OCc1ccc(Cl)cc1Cl)C(=O)Nc1cccc(C(F)(F)F)c1 2313724465 AFRAPEGKIGWYTA-UHFFFAOYSA-N 491.296 7.137 50 10 JKGE Cc1c(Cl)cccc1NC(=O)C(C#N)=Cc1cc(Br)ccc1OCc1ccccc1 2313738607 JSEOUNBDCYBUOT-UHFFFAOYSA-N 481.777 6.536 50 10 JKGE CC1(C)[C@H]2CO[C@]1([C@H](Br)c1ccc(OCc3ccccc3)cc1Br)C2 2314450455 ZMYSBVGTSTXQBT-VMRPVKRXSA-N 466.213 6.279 50 10 JKGE CCCCOc1cccc(-c2nn(-c3ccccc3)cc2C=C(C#N)C(=O)Nc2ccc(C)cc2)c1 2314476673 SWXFPLVPACYLFQ-UHFFFAOYSA-N 476.580 6.572 50 10 JKGE Cc1ccc(Br)c([C@@H](Cl)c2cc(Br)ccc2OCc2ccccc2)c1 2314502264 HAWVCIIFVGFDHL-OAQYLSRUSA-N 480.627 7.427 50 10 JKGE Cc1c(Cl)sc(Cl)c1[C@H](Br)c1cc(I)ccc1F 2314524746 CXVMDMORNZOFRS-SNVBAGLBSA-N 479.967 6.591 50 10 JKGE COc1ccc(C=CC(=O)Oc2ccc(C=C(C#N)c3nc(-c4ccc(Cl)cc4)cs3)cc2)cc1 2314548802 YIYWUIHLBCUEMS-UHFFFAOYSA-N 498.991 7.155 50 10 JKGE CCc1ccc(N2C(=O)[C@H](Cc3ccccc3)SC2=C(C#N)C(=O)N[C@@H](C)c2ccccc2)cc1 2314593061 GUKKGPPGKPXGAG-FNZWTVRRSA-N 481.621 5.553 50 10 JKGE CCCCCCOc1ccc(C=C(C#N)C(=O)Nc2ccc(C(=O)OCC)cc2)cc1OC 2314728491 FSGXRNAKEKPULU-UHFFFAOYSA-N 450.535 5.377 50 10 JKGE COc1cc(Br)ccc1[C@@H](Cl)c1sc(Cl)cc1I 2316603304 UACHDETYBTUXSR-LLVKDONJSA-N 477.976 6.105 50 10 JKGE Cc1cc(Cl)c(Cl)cc1[C@H](Cl)c1sc(Cl)cc1I 2316659548 UMLAOZZZOMGGJX-NSHDSACASA-N 451.971 6.950 50 10 JKGE Cc1c(Oc2cc(Br)cc(I)c2)ccnc1CBr 2316756160 BFJIJQIVWINJSE-UHFFFAOYSA-N 482.941 5.444 50 10 JKGE Brc1cc([C@@H](Br)[C@H]2COC3(CCC3)CO2)c(Br)s1 2316791175 MDIBYFIAZPWELW-PSASIEDQSA-N 461.013 5.047 50 10 JKGE N#CC(=Cc1cccc(OC(=O)COc2ccc(Cl)cc2Cl)c1)c1cccc(Cl)c1 2320506620 NKUBOWXYXQBYDY-UHFFFAOYSA-N 458.728 6.695 50 10 JKGE Brc1cc(C[C@@H]2[C@@H](Br)C[C@H]3CC[C@H]2C3)ccc1I 2325189505 LXWXIQRGYUXPLV-BQUFFADESA-N 484.013 5.796 50 10 JKGE COc1ccc(C=CC(O)=C(C#N)c2nc(-c3ccc(-c4ccccc4)cc3)cs2)c(OC)c1 2331231982 XXARCEACBMPTSU-UHFFFAOYSA-N 466.562 7.000 50 10 JKGE N#CC(=C(O)c1ccccc1C(=O)c1ccccc1)c1nc(-c2ccc3c(c2)CCCC3)cs1 2331240012 GBBPXJILQJAWBB-UHFFFAOYSA-N 462.574 6.870 50 10 JKGE C[C@@H](c1ccccc1)N1C[C@H](C(O)=C(C#N)c2nc(-c3c[nH]c4ccccc34)cs2)CC1=O 2331347150 ZOWRUBBFRXIPGP-FUHWJXTLSA-N 454.555 5.694 50 10 JKGE COc1c(Cl)cc(Cl)cc1-c1csc(C(C#N)=C(O)c2ccc(N(C)C)c([N+](=O)[O-])c2)n1 2331364064 IOOJSCYEUWTRRI-UHFFFAOYSA-N 491.356 6.050 50 10 JKGE COc1cc(C)c(-c2csc(C(C#N)=C(O)c3cc(C(F)(F)F)cc(C(F)(F)F)c3)n2)cc1C 2331402883 CFRMIWNBIRQYBE-UHFFFAOYSA-N 498.448 7.423 50 10 JKGE COc1ccc(-c2csc(C(C#N)=C(O)C=Cc3ccc(Cl)c(Cl)c3)n2)c2ccccc12 2331406422 KJXFYYYJYOEURL-UHFFFAOYSA-N 479.388 7.785 50 10 JKGE CCOc1cc(C=C(C#N)c2nc(-c3c[nH]c4ccccc34)cs2)ccc1OCc1ccc(C)cc1 2331460046 IIILECIIMGGCOZ-UHFFFAOYSA-N 491.616 7.642 50 10 JKGE COc1ccc(-c2csc(C(C#N)=Cc3cc(Br)c(O)c(OC)c3)n2)cc1Cl 2331481084 XARHGRYOZQOWPL-UHFFFAOYSA-N 477.767 6.013 50 10 JKGE CCCCCCCCC[C@@H](Br)c1cc(Br)ccc1OCc1ccccc1 2336046995 ISHWXFFEAOTIMC-JOCHJYFZSA-N 482.300 8.605 50 10 JKGE CC(C)([C@H](Cl)c1c(Cl)cc(Br)c(F)c1Br)S(C)(=O)=O 2337083464 ZWPDWQANPDRKGC-SNVBAGLBSA-N 456.986 5.107 50 10 JKGE COC1(C(F)F)CC([C@H](Br)c2cc(Br)ccc2Br)C1 2343017925 VOGKZOYAIOUIFE-LGFNHLLRSA-N 462.954 5.708 50 10 JKGE CC(C)(C)OCCCOc1c(Br)cc(CBr)cc1Br 2345234742 IAGTYTCNWAYPBP-UHFFFAOYSA-N 459.016 5.691 50 10 JKGE CCc1cc(Br)c(OC)c([C@@H](Br)c2ccoc2Br)c1 2353040554 RTMUGPAMOJHOEH-LBPRGKRZSA-N 452.968 5.860 50 10 JKGE CC(C)(C)Oc1ccc([C@@H](Br)[C@H]2C[C@@H](Br)C2)cc1Br 2353076638 PNTFZVGDMYZBPG-UHIISALHSA-N 455.028 6.236 50 10 JKGE Brc1ccc(OCc2ccccc2)c([C@@H](Br)[C@@H]2C[C@@H]3CCCCCC[C@@H]32)c1 2361191794 SCVTUIWFXNRBJZ-WWOUZDQESA-N 492.295 8.071 50 10 JKGE COC[C@@H]1CC[C@H]([C@H](Br)c2c(Cl)cc(Br)c(F)c2Br)C1 2362241191 URVDTZARXABPAA-LWINAJNOSA-N 493.436 6.503 50 10 JKGE CCC[C@H](CBr)CN1CC[C@@H](CCNC(=O)OC(C)(C)C)C[C@@H]1C(F)(F)F 2362785646 BHNYWEIOAMUPLC-BZUAXINKSA-N 459.391 5.355 50 10 JKGE COc1c(Br)cc(C)c([C@H](Br)CC(F)(F)C(F)F)c1Br 2365195223 ZVKKCHTVTYRBHV-SSDOTTSWSA-N 486.923 6.255 50 10 JKGE CCOc1ccc([C@H](Br)c2ccc(Cl)c(I)c2)c(F)c1 2367475485 YTIGLTHUGIWYJQ-OAHLLOKOSA-N 469.519 5.967 50 10 JKGE CC(C)(C)OC(=O)Nc1nc2cc(NC(=O)[C@H](Br)C3CCCC3)ccc2s1 2382199632 FWXZKCLVUBGLRA-OAHLLOKOSA-N 454.390 5.536 50 10 JKGE COc1ccc(NC(=O)/C(C#N)=C\c2c(Oc3cc(C)ccc3C(C)C)nc3ccccn3c2=O)cc1 3644064 GBCCSLNLIKPBEU-SILNSSARSA-N 494.551 5.473 50 10 JKGE CC[C@H]1CCC/C1=N\NC(=O)COc1ccc2cc(Br)ccc2c1Br 12491546 KNTCGENDVCKSBF-DOTVFMQRSA-N 468.189 5.426 50 10 JKGE COc1ccc(/C(C#N)=C\c2cccc(OC(=O)/C=C/c3ccc(Cl)cc3Cl)c2)cc1 31903183 OUDHXVNVIPVOAC-IPOOWYNDSA-N 450.321 6.685 50 10 JKGE CCc1ccc(NC(=O)/C(C#N)=C\c2ccc(OCc3ccc(C(=O)O)cc3)c(OC)c2)cc1 33304603 IBYDEZMTPFMZCJ-HMAPJEAMSA-N 456.498 5.080 50 10 JKGE N#C/C(=C/c1cc(Cl)cc(Cl)c1OCc1ccccc1)c1nn(-c2ccccc2)c(N)c1C#N 33471697 QDTCJJJVGPBFTF-ODLFYWEKSA-N 486.362 6.276 50 10 JKGE Cc1ccc(C(C)C)c(Oc2nc3ccccn3c(=O)c2/C=C(\C#N)C(=O)NC2CCCCC2)c1 35549791 PABBESQCRCKBBT-CAPFRKAQSA-N 470.573 5.275 50 10 JKGE CCCCN1C(=O)C(C#N)=C(C)/C(=C\c2ccc(OCc3ccc(Cl)cc3)c(OCC)c2)C1=O 38603736 BFYLYZPWXQCRGI-HYARGMPZSA-N 478.976 5.710 50 10 JKGE Cc1c(C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@@H]3c2ccc(F)cc2)oc2ccc(F)cc12 38688086 VOAFNHAYVBJOQH-HSZRJFAPSA-N 458.420 5.457 50 10 JKGE N#C/C(=C\c1ccc(-c2cccc(Cl)c2)o1)C(=O)Nc1ccc(C(F)(F)F)c(Cl)c1 39884861 NYWSOYVPRAPSAQ-UKTHLTGXSA-N 451.231 6.818 50 10 JKGE CC(C)COC(=O)N/N=C/c1nc(-c2ccccc2Cl)c2cc(Br)ccc2n1 39899599 DVWHTEVTTIIMIP-AUEPDCJTSA-N 461.747 5.429 50 10 JKGE Cc1c(C(=O)Nc2ccc(Oc3ccccc3)cc2)oc2c1/C(=N/NC(=O)c1ccc(O)cc1)CCC2 40812008 HFKONNIHWSHNKV-QFMPWRQOSA-N 495.535 5.809 50 10 JKGE CCOc1cc(/C=C(\C#N)C(=O)NCc2ccco2)ccc1OC(=O)Nc1ccc(Cl)cc1 40929061 WHXFYCUFVUGFBF-SFQUDFHCSA-N 465.893 5.166 50 10 JKGE Cc1cc(C)c(/C(CSc2nc3ccccc3[nH]2)=N\NC(=O)c2cccc([N+](=O)[O-])c2)cc1C 59460595 LDAWXZUWEBMFDA-NFFVHWSESA-N 473.558 5.323 50 10 JKGE CC(C)c1ccccc1N/C=C(/C#N)c1nc(-c2cc3cc(Br)ccc3oc2=O)cs1 100080657 HGTDAYVZVPCKBT-VBKFSLOCSA-N 492.398 6.779 50 10 JKGE Cc1ccc(N2C(=O)[C@@H](Cc3ccccc3F)S/C2=C(/C#N)C(=O)Nc2ccccc2)cc1C 101244814 FRPFDBAOQKSUDR-OGCOBRASSA-N 471.557 5.508 50 10 JKGE CCOC(=O)c1c(N/C=C(\C#N)c2nc(-c3cccc([N+](=O)[O-])c3)cs2)sc(C(C)=O)c1C 102562846 VBOATUFRQVZJFL-XNTDXEJSSA-N 482.543 5.444 50 10 JKGE Cl[C@@H](Cc1cccc(Br)c1)c1cc(Br)sc1Br 109825207 KZRWTKKLKIPNCG-JTQLQIEISA-N 459.428 6.558 50 10 JKGE Fc1ccc(C[C@H](CBr)c2ccccc2Br)c(Br)c1 118665022 QQVFYJHOGVYSHW-LLVKDONJSA-N 450.971 6.072 50 10 JKGE COc1c(Br)cc(Cl)cc1[C@H](Br)c1ccc(C)c(Br)c1 130436327 CRXVWDMSJDXKFA-CQSZACIVSA-N 483.425 6.666 50 10 JKGE C[C@@](CBr)(OCc1cccc(Br)c1)c1ccccc1Br 162548555 XZTHXXGXELKKQX-INIZCTEOSA-N 463.007 6.039 50 10 JKGE CCOc1cc(Cl)c([C@H](Br)c2ccc(F)cc2Br)cc1Cl 164555195 LOSHPUZOYOFBMZ-OAHLLOKOSA-N 456.964 6.778 50 10 JKGE Cc1sc([C@@H](Br)c2ccc(Br)cc2C(F)(F)F)cc1Br 229519096 QDTPYODLSGPLDA-LBPRGKRZSA-N 492.980 7.085 50 10 JKGE Brc1cc([C@@H](Br)c2cc(Br)c(Br)s2)cs1 232484047 UMVRBULEPQKIKW-MRVPVSSYSA-N 495.881 6.581 50 10 JKGE C[C@@H]1Cc2cc([C@@H](Br)c3ccc(Br)cc3Br)ccc2O1 235407157 PRMFYUAJQQXIES-JDNHERCYSA-N 460.991 6.019 50 10 JKGE Clc1ccc([C@H](Cl)c2cc(I)ccc2Br)cc1Cl 236033785 GFTUIMDHXSYMHJ-ZDUSSCGKSA-N 476.366 6.689 50 10 JKGE Clc1ccc(Br)c([C@@H](Br)c2cc(Br)cc3c2OCC3)c1 236056250 VXOFYOJWMSJRFR-CQSZACIVSA-N 481.409 6.284 50 10 JKGE COc1ccc(C(C)=NNC(=O)CSc2nnc(-c3ccc(C)cc3)n2C2CCCCC2)cc1 254404186 ZMQFDWVZWJFRSX-UHFFFAOYSA-N 477.634 5.400 50 10 JKGE O=C(NN=Cc1cc(-c2ccccc2)n(-c2ccc([N+](=O)[O-])cc2)c1-c1ccccc1)c1ccncc1 254806471 UKKABDDUEVQKQH-UHFFFAOYSA-N 487.519 5.878 50 10 JKGE CC1(C)CC[C@@]23C=C[C@]4(OO2)[C@@]2(C)CC[C@H]5C(C)(C)[C@@H](O)[C@@H](O)C[C@@]5(C)[C@H]2CC[C@]4(C)[C@@H]3C1 257417004 FMQSPIDOGLAJKQ-OZSRQPPNSA-N 458.683 5.813 50 10 JKGE biogenic Fc1ccc(COc2c(Br)cc(Br)cc2CCl)cc1Br 312399911 DQPCKTYAVXZNAW-UHFFFAOYSA-N 487.388 6.431 50 10 JKGE C[C@]1(Cn2c(CCl)nc3cc(I)c(F)cc32)CCN(Cc2ccccc2)C1 380005687 QHXXYBCSOHASGH-NRFANRHFSA-N 497.783 5.431 50 10 JKGE O=S(=O)(c1cc(CCl)oc1Br)N(Cc1ccccc1)Cc1ccccc1 380906281 GNQWAQYRJNLQEX-UHFFFAOYSA-N 454.773 5.172 50 10 JKGE Fc1ccc(Br)c(F)c1COc1cc(Br)ccc1CBr 691450618 OGAIYQKEEWOZKV-UHFFFAOYSA-N 470.933 5.964 50 10 JKGE C[C@@H](CC(C)(C)C#N)Oc1c(Br)cc(Br)cc1CBr 695885183 UYZDGGVORLDCNO-VIFPVBQESA-N 454.000 5.814 50 10 JKGE BrCc1ccc(N2CC[C@@H]3CC[C@H](C2)N3Cc2ccccc2)c(Br)c1 717411678 KPHGSMXQQLSULR-RBUKOAKNSA-N 464.245 5.587 50 10 JKGE O=[N+]([O-])c1ccccc1C[C@@H](Cl)c1ccc(I)c(Br)c1 721574470 YJIRZBOZSYNJKO-GFCCVEGCSA-N 466.500 5.485 50 10 JKGE CCOc1ccc(NC(=O)CCC(=O)NN=Cc2ccc3c(c2)c2ccccc2n3CC)cc1 1084101030 ATVKRUFUCQVLGJ-UHFFFAOYSA-N 456.546 5.082 50 10 JKGE CCOc1ccc2nc(Sc3ccc(C=NNC(=O)COc4ccc(CC)cc4)o3)sc2c1 1084207061 YMBTZVIXALNZEF-UHFFFAOYSA-N 481.599 5.531 50 10 JKGE O=C(NN=Cc1ccc(OCc2ccccc2)cc1)C(=O)Nc1ccc(Cl)c(C(F)(F)F)c1 1084219445 YAEXTNOFCTYDRY-UHFFFAOYSA-N 475.854 5.027 50 10 JKGE Cc1c(C(=O)Nc2nc3ccccc3s2)oc2c1C(=NNC(=O)c1ccccc1Cl)CCC2 1772743618 DRQFXQBHZCCHNO-UHFFFAOYSA-N 478.961 5.574 50 10 JKGE COc1cc(C=NNC(=O)COc2ccc(C(C)(C)C)cc2)ccc1OCc1ccc(C)cc1 1772754415 HBBCWKQZCOOLPL-UHFFFAOYSA-N 460.574 5.409 50 10 JKGE N#CC1=C(N)Oc2c(c(C(F)(F)F)nn2-c2ccc(Cl)c(Cl)c2)[C@@H]1c1ccc(O)cc1 1865684613 TYXLGRSNJXECMY-OAHLLOKOSA-N 467.234 5.122 50 10 JKGE CC(C)c1ccc([C@@H]2C(C#N)=C(N)Oc3c2c(C(F)(F)F)nn3Cc2cccc(F)c2)cc1 1865686692 ZNEBTDHRHVXMBP-LJQANCHMSA-N 456.443 5.431 50 10 JKGE Cc1ccc(C)c(Cn2nc(-c3ccccc3)c3c2OC(N)=C(C#N)[C@@H]3c2c[nH]c3ccccc23)c1 1865700540 WRDNMDVTBPQNAB-AREMUKBSSA-N 471.564 5.915 50 10 JKGE N#CC1=C(N)Oc2c(c(C(F)(F)F)nn2-c2cccc3ccccc23)[C@H]1c1cccc(F)c1 1865710584 CACYQQWRWWFUSS-IBGZPJMESA-N 450.395 5.402 50 10 JKGE COc1ccc(/C=C(\C(=O)NNC(=O)c2ccc(-c3ccc(C)c(C)c3)nc2C)c2ccccc2)cc1 1865756245 NYLNHNWFADTQKB-USHMODERSA-N 491.591 5.684 50 10 JKGE CC(C)(NC(=O)C[C@@H](c1ccc(F)cc1)c1cccc(F)c1)C(=O)Nc1ccc(SC#N)cc1 1866763789 NNSVUYITXWXNKP-QHCPKHFHSA-N 479.552 5.593 50 10 JKGE CC[C@](C)(NC(=O)C[C@H](CC(C)C)c1ccc(F)cc1)C(=O)Nc1ccc(SC#N)cc1 1867105450 VVBIOZKOTCUXSP-DFBJGRDBSA-N 455.599 5.842 50 10 JKGE CCCN(CCCN(C)C)c1cc(Nc2ccc(SC#N)cc2)nc(-c2ccc(C)cc2)n1 1868320148 CTLBRBLDAHZMJY-UHFFFAOYSA-N 460.651 5.937 50 10 JKGE CCCCc1ccc(-c2csc(/C(C#N)=C(\O)COc3ccc(OC)cc3C(C)(C)C)n2)cc1 1872744696 DPSBVOMLYRUBFJ-LVWGJNHUSA-N 476.642 7.330 50 10 JKGE COc1ccc(-c2csc(/C(C#N)=C(\O)Cc3ccc(OCc4ccccc4)cc3)n2)cc1 1872745919 JVQVGRZLXMQQHL-LCUIJRPUSA-N 454.551 6.433 50 10 JKGE COc1ccc(-c2csc(/C(C#N)=C(\O)[C@H](C(C)C)N3C(=O)c4ccccc4C3=O)n2)cc1C 1872746304 BMBPDNJATVZQDL-PJJVEECESA-N 473.554 5.241 50 10 JKGE COc1ccc(Cl)cc1N1C[C@H](/C(O)=C(\C#N)c2nc(-c3ccc(C)cc3C)cs2)CC1=O 1872748588 DFXWZXPHZTYQNC-PWEHGMCJSA-N 479.989 5.935 50 10 JKGE CCCCCCCOc1ccc(-c2csc(/C(C#N)=C(\O)c3ccc(F)c(F)c3F)n2)cc1 1872753333 RTIAKVXBEPIOLT-CLCOLTQESA-N 472.532 7.526 50 10 JKGE COc1c(Cl)ccc(Cl)c1/C(O)=C(\C#N)c1nc(-c2cc(Cl)ccc2Cl)cs1 1872758529 FLVNUDPAEULTJW-BOPFTXTBSA-N 472.180 7.382 50 10 JKGE CCCCOc1ccc(/C=C(\C#N)c2nc(-c3ccc4c(c3)CCCC4)cs2)cc1OCC 1872782735 RVLYCCLVZHEMCS-BUVRLJJBSA-N 458.627 7.331 50 10 JKGE N#C/C(=C\c1ccccc1OCc1ccc(Cl)cc1)c1nc(-c2ccc(Cl)cc2)cs1 1872789978 CICPCJWSCDVYNZ-DEDYPNTBSA-N 463.389 7.760 50 10 JKGE CCOc1ccc(/C=C/C(O)=C(\C#N)c2nc(-c3cc(OC)ccc3OC)cs2)cc1OC 1873921267 ZLMABVNQMSTSRN-YVNTYLKSSA-N 464.543 5.741 50 10 JKGE Cc1c(Br)sc([C@@H](Br)CC[C@H]2CCCCO2)c1Br 1922955505 ZTLAWZGDVUALOD-ZJUUUORDSA-N 461.057 6.367 50 10 JKGE CC(C)([C@@H](Br)c1c(Br)sc(Br)c1Cl)C(F)(F)F 1923040745 WMZHKCZQTNQKFS-YFKPBYRVSA-N 479.381 6.951 50 10 JKGE FC(F)Oc1ccccc1[C@@H](Cl)c1c(Br)sc(Br)c1Cl 1923047758 CURQZAFOHDCLNE-MRVPVSSYSA-N 466.956 6.856 50 10 JKGE FC(F)(F)CC[C@@H](Br)c1c(Br)sc(Br)c1Cl 1923067601 FVISVSSNGGGWJD-GSVOUGTGSA-N 465.354 6.705 50 10 JKGE CC(C)CCN(CCBr)C(=O)c1ccc(Br)cc1Br 1924456970 KCFLVFOKMPDHFP-UHFFFAOYSA-N 456.016 5.095 50 10 JKGE Brc1sc(Br)c([C@H](Br)C[C@@H]2CCCO2)c1Br 1924580008 NBEDXHIHGXPOBZ-NTSWFWBYSA-N 497.872 6.041 50 10 JKGE Cl[C@H](c1c(Br)sc(Br)c1Br)[C@@H]1C[C@H]2CCCC[C@@H]21 1924616178 LZMNXCMRVRTSAT-UVMAFCGOSA-N 477.487 7.142 50 10 JKGE C[C@H]1Cc2cc([C@@H](Br)c3csnc3Br)cc(Br)c2O1 1925270158 KJKOSYVJGHOFML-UPONEAKYSA-N 468.008 5.476 50 10 JKGE C[C@H]1C[C@H](N(C)c2cc(Br)ccc2CBr)CN1Cc1ccccc1 1949203262 BEJVQQGYMQLJJX-KXBFYZLASA-N 452.234 5.443 50 10 JKGE Cc1c(Cl)cc(C(=O)N(Cc2ccccc2)[C@H](C)CBr)cc1Br 1979763507 IOENWLVZIXPMEB-GFCCVEGCSA-N 459.609 5.837 50 10 JKGE Clc1sc(C(Br)c2cc(Br)c(Cl)s2)cc1Br 1981406433 DOQZOIKXZQRBID-UHFFFAOYSA-N 485.875 7.126 50 10 JKGE Cc1cc(Br)c(C)c([C@@H](Br)C2CC(Br)C2)c1Br 2022975248 ZOKMCGCCQXEKTN-RPTIHFLNSA-N 489.871 6.438 50 10 JKGE CCc1sc(Br)cc1[C@@H](Br)c1cc(Cl)cc(Br)c1 2030223935 VXCQSENISMTADK-ZDUSSCGKSA-N 473.455 6.973 50 10 JKGE COc1sc([C@H](Br)c2c(C)cccc2Br)cc1Br 2034628252 DBXFYRPMYAHSQD-LBPRGKRZSA-N 455.009 6.074 50 10 JKGE C[C@H](CCOc1c(Br)cc(CBr)cc1Br)C(F)F 2039987467 NYBQOFKUXSQYMD-SSDOTTSWSA-N 450.943 5.777 50 10 JKGE CS(=O)(=O)c1csc([C@@H](Br)c2cc(Br)c(Cl)s2)c1 2052445944 SBJCNVIOBLHYOD-SECBINFHSA-N 450.626 5.113 50 10 JKGE Clc1nc(Cl)n(Cc2c(Br)cccc2Br)c1CBr 2055110919 VWAUXBNZRPADMG-UHFFFAOYSA-N 477.809 5.658 50 10 JKGE Cc1nn(C)c(Br)c1[C@@H](Br)c1sc(C)c(Br)c1C 2065890324 LDBKWIGEPPRCJC-SNVBAGLBSA-N 457.029 5.416 50 10 JKGE Cc1cccc(Cn2nc(CBr)c(I)c2C(F)(F)F)c1C 2079243213 PNGCPRWMGAADFB-UHFFFAOYSA-N 473.074 5.067 50 10 JKGE CC1(COc2c(Br)cc(Br)cc2CBr)CCCCC1 2087558693 QIWMQXGVMVQSHA-UHFFFAOYSA-N 455.028 6.456 50 10 JKGE COc1ccc(Br)cc1[C@H](Br)Cc1ccccc1I 2087570889 WZVFNEHAEOMRKN-CYBMUJFWSA-N 495.980 5.741 50 10 JKGE CCc1cc(Br)c([C@H](Br)c2cc(C)cc(Br)c2F)s1 2089708873 FYKFFJNNQVNMGG-GFCCVEGCSA-N 471.027 6.767 50 10 JKGE Brc1cccc([C@H](Br)c2ccc(CC3CC3)s2)c1Br 2092333652 BUGWTYUWKMIFHM-HNNXBMFYSA-N 465.048 6.710 50 10 JKGE CCc1nn(-c2cc(Cl)ccc2CBr)c(CC)c1I 2093916652 PCFGFKVKLFSFQV-UHFFFAOYSA-N 453.549 5.150 50 10 JKGE Cc1ncsc1C(C#N)=C(Cl)c1cc(I)ccc1Br 2096234646 WQTWRDKCCCMJFJ-UHFFFAOYSA-N 465.541 5.449 50 10 JKGE Brc1ccc(Br)c([C@H](Br)[C@H]2CC3(CCCC3)CO2)c1 2109965792 URECHBSYFAPGIG-KGLIPLIRSA-N 453.012 5.997 50 10 JKGE Cc1cc(Br)c([C@@H](Br)[C@H]2CC3(CCC3)CO2)cc1Br 2110158843 UAIVSKSGYMKUFP-ZIAGYGMSSA-N 453.012 5.915 50 10 JKGE FC1(F)CCC[C@@H]2[C@H]([C@@H](Br)c3cc(Br)ccc3Br)[C@H]21 2114396540 LJGBAUGTHIGDLI-YJRXYDGGSA-N 458.966 6.329 50 10 JKGE FC1(F)C2(CCC2)[C@@]1(CBr)Cc1cc(Br)ccc1Br 2118532193 NDMWRAYSZFJDQE-ZDUSSCGKSA-N 458.966 5.955 50 10 JKGE C[C@H]1CCC[C@@](CI)(OCc2cc(Cl)ccc2Br)C1 2135982673 HNFAYLWPBLJARX-XHDPSFHLSA-N 457.577 6.003 50 10 JKGE Cl[C@@H](c1ccc(-c2cccs2)s1)c1csc(Br)c1Br 2140969573 IJPXWPNBVVFINA-GFCCVEGCSA-N 454.661 7.391 50 10 JKGE BrCc1ccc(N2CCc3ccc(Br)cc3C2)cc1Br 2149906266 TVEIZEBKNYHKLR-UHFFFAOYSA-N 460.007 5.669 50 10 JKGE C[C@H]1CCO[C@@H]1CCC(CBr)(CBr)c1ccc(Br)cc1 2157325223 CDEZBOXBPDFQQH-SWLSCSKDSA-N 469.055 5.682 50 10 JKGE CC(C)(C)OC(=O)Nc1ccc([S@@](C)(=O)=NCC2(CBr)CCCCC2)cc1 2163061270 FTMWMUXAYRGLEJ-HHHXNRCGSA-N 459.450 5.836 50 10 JKGE O=C(NC1(CBr)CC2(CCC2)C1)c1c(Br)cccc1Br 2163546646 KNGPKZLIWKTHFZ-UHFFFAOYSA-N 466.011 5.039 50 10 JKGE Fc1c(C[C@@H](CBr)c2ccc(Br)cc2)ccc(Cl)c1Br 2166821342 CEYAQGMJHPUTJN-NSHDSACASA-N 485.416 6.725 50 10 JKGE Cc1cc(Br)cc(CBr)c1OCc1cc(Cl)cc(Br)c1 2166826175 PKFCMTFQJGFMBW-UHFFFAOYSA-N 483.425 6.647 50 10 JKGE COc1ccc(CC[C@H](Br)c2cccc(Br)c2)cc1Br 2169798138 AJMVDWSWUSOFAO-AWEZNQCLSA-N 463.007 6.289 50 10 JKGE CN(CCCCCn1c(CCl)nc2cc(Br)c(Cl)cc21)Cc1ccccc1 2184086988 PBMHHOXGBZUXKM-UHFFFAOYSA-N 469.254 6.493 50 10 JKGE COc1c(Br)cc(C)cc1[C@@H](Cl)c1cc(Cl)ccc1I 2203814043 DBWMFFYNIUEROX-AWEZNQCLSA-N 485.974 6.352 50 10 JKGE Clc1cc(CC2(CBr)CC3(CCCCC3)C2)ccc1I 2208033110 MUNHOERMVAVGSQ-UHFFFAOYSA-N 467.616 6.613 50 10 JKGE Cl[C@@H](Cc1sc(Br)c(Br)c1Br)c1ccccc1 2216396755 UTHBSPBZRYJLTP-QMMMGPOBSA-N 459.428 6.558 50 10 JKGE Brc1cc([C@H](Br)[C@@H]2OC[C@H]3CCCC[C@@H]32)c(Br)s1 2218098229 HGKLNKLRTMPKCF-UFGYURQFSA-N 459.041 5.914 50 10 JKGE Cc1cc(Br)c([C@@H](Br)c2cc(Cl)c(Br)cc2F)s1 2221834390 DULXYVZZUFQQSC-NSHDSACASA-N 477.418 6.858 50 10 JKGE CO[C@@H]1C[C@]2([C@@H](Br)c3c(Br)cc(C)c(Br)c3C)C[C@@H]12 2227346348 CRGAWXXEOBMLHS-OCVOHJKQSA-N 453.012 5.689 50 10 JKGE Fc1cc(Br)c(Br)cc1[C@H](Br)[C@H]1C[C@H]1c1ccccc1 2233976023 NBTVAEDZOHJYKV-XMZIXOGTSA-N 462.982 6.590 50 10 JKGE Brc1cccc(C[C@H](Br)c2ccc3c(c2Br)CCO3)c1 2238075815 FIHMGINAMMPBHA-AWEZNQCLSA-N 460.991 5.825 50 10 JKGE FC[C@@]12CC[C@@]([C@H](Br)c3cc(Br)sc3Br)(CO1)C2 2261563807 XHWGRPWOIGAZTL-USWWRNFRSA-N 463.004 5.618 50 10 JKGE Cc1cc(C(F)(F)F)sc1[C@H](Br)c1cc(Cl)c(Br)s1 2277877987 GOBDMFXQEQJAHI-MRVPVSSYSA-N 454.558 7.037 50 10 JKGE Cc1sc(Br)c(C)c1[C@H](Cl)Cc1cc(Br)cc(Br)c1 2277892005 NEELZZCULMASBW-GFCCVEGCSA-N 487.482 7.175 50 10 JKGE Fc1cc([C@@H](Br)c2ccc(Cl)c(I)c2)c(F)c(F)c1F 2283572007 AUIPOTLNLVTWQC-JTQLQIEISA-N 479.436 5.985 50 10 JKGE COc1c([C@H](Br)c2c(Br)cc(F)c(F)c2F)csc1Cl 2284304151 IZYLHJBSDMAWGU-QMMMGPOBSA-N 450.501 6.074 50 10 JKGE FC1CC2(C1)CC(CO[C@H](CI)c1ccc(Br)cc1)C2 2288556660 BSHDYDYRJYEYKJ-HGQARUDJSA-N 453.133 5.470 50 10 JKGE Cc1cc(Br)c([C@H](Br)[C@]23CCCC[C@@H]2CC3)c(C)c1Br 2288973583 ZTIFYUPPNSCWQK-DQYPLSBCSA-N 465.067 7.235 50 10 JKGE COC(=O)c1cc(C(C)C)sc1NC(=O)C(C#N)=Cc1ccc(OCCC(C)C)c(OC)c1 2295669914 KIWRDSSQWPIGFX-UHFFFAOYSA-N 470.591 5.637 50 10 JKGE COc1cccc(C=C(C#N)C(=O)N[C@H](C)c2ccccc2)c1OCc1c(F)cccc1Cl 2295672385 SNQOODNORRWWLJ-QGZVFWFLSA-N 464.924 5.851 50 10 JKGE N#CC(=Cc1ccc(COc2c(Cl)cc(Cl)cc2Cl)o1)S(=O)(=O)c1ccccc1 2295727140 GVOYMBKSINMCJP-UHFFFAOYSA-N 468.745 6.157 50 10 JKGE Cc1cccc(C[C@H]2SC(=C(C#N)C(=O)Nc3cccc4ccccc34)N(c3ccccc3)C2=O)c1 2295993289 FZLRXLQPRYFMOR-HHHXNRCGSA-N 489.600 6.213 50 10 JKGE C=CCNC(=O)C(C#N)=Cc1cn(-c2ccccc2)nc1-c1ccc(OCc2ccccc2)cc1 2296709117 ZGPMXNFQVFHTAQ-UHFFFAOYSA-N 460.537 5.327 50 10 JKGE N#CC(=Cc1ccc(I)cc1)c1nc(-c2ccc(Cl)c(Cl)c2)cs1 2297213707 HLSAOOWUVLOINK-UHFFFAOYSA-N 483.161 6.786 50 10 JKGE Cc1c(C=C(C#N)C(=O)N[C@@H](C)c2ccccc2)c2ccccn2c1C(=O)c1ccc(F)cc1 2297388053 XGEDTPZXDHMALD-IBGZPJMESA-N 451.501 5.402 50 10 JKGE Cc1cc(NS(=O)(=O)c2ccc(NC=C(C#N)c3nc(-c4ccc(C)c(C)c4)cs3)cc2)no1 2297482044 WNUQWEQGBYLSBO-UHFFFAOYSA-N 491.598 5.501 50 10 JKGE N#CC(=Cc1cccc(OCc2ccccc2)c1)C(=O)Nc1ccc([N+](=O)[O-])cc1Br 2297551649 WXFNGXKUANNQAT-UHFFFAOYSA-N 478.302 5.482 50 10 JKGE COc1ccsc1[C@@H](Br)c1ccc(OCc2ccccc2)cc1Br 2299493011 FCDXWBKVSKAJID-SFHVURJKSA-N 468.210 6.583 50 10 JKGE Brc1cc(OCc2ccccc2)ccc1[C@@H](Br)[C@@]12CCC[C@@H]1CC2 2299524806 HQNBVGFZFZZTMB-MAODMQOUSA-N 450.214 7.044 50 10 JKGE CCCc1sc(Br)cc1[C@@H](Br)c1cnsc1Br 2300644847 FSGFQVOGIAOBRQ-SNVBAGLBSA-N 460.054 6.166 50 10 JKGE CCc1cc([N+](=O)[O-])ccc1-c1ccc(C=C(C#N)C(=O)Nc2ccc(Br)cc2)o1 2313553171 OPVCWDJEJYVGDE-UHFFFAOYSA-N 466.291 5.725 50 10 JKGE COc1cc(C=C(C#N)C(=O)Nc2cccc(Cl)c2Cl)ccc1OCc1ccccc1C#N 2313570629 BJXSOFQZHMEUBJ-UHFFFAOYSA-N 478.335 5.998 50 10 JKGE Cc1cccc(NC(=O)C(C#N)=Cc2ccc(OCc3ccc(Cl)cc3Cl)cc2)c1C 2313667728 TZPIEEXKDHPJAD-UHFFFAOYSA-N 451.353 6.735 50 10 JKGE COc1ccc(N2C(=O)[C@@H](Cc3ccc(F)cc3)SC2=C(C#N)C(=O)Nc2ccc(C)cc2)cc1 2314592600 YJMLZPCYDIJBSA-XMMPIXPASA-N 487.556 5.208 50 10 JKGE CCCCNC(=O)C(C#N)=Cc1ccc(OC(=O)[C@H](C)Oc2ccc(-c3ccccc3)cc2)c(OC)c1 2314785769 KXOVYCVZASUIKW-NRFANRHFSA-N 498.579 5.558 50 10 JKGE Cc1nc(-c2ccc(Cl)c(Cl)c2)ccc1C(=O)NN=Cc1ccccc1Br 2321248684 QIDXYBKPOCUETN-UHFFFAOYSA-N 463.162 5.890 50 10 JKGE CCOC(=O)c1c(-c2ccc(F)cc2)csc1NC(=O)C(C#N)=Cc1cccc(Br)c1 2329699339 FXYFGOUSTVHQRE-UHFFFAOYSA-N 499.361 6.039 50 10 JKGE N#CC(=C(O)CCCOc1ccc2ccccc2c1)c1nc(-c2ccc(Br)cc2)cs1 2331260669 YIHUGXJXIYPDCL-UHFFFAOYSA-N 491.410 7.378 50 10 JKGE Cc1ccc(-c2csc(C(C#N)=C(O)c3ccc4c(c3)C(=O)N(c3ccc(F)cc3)C4=O)n2)cc1 2331312730 RYMIOENUDWYXGL-UHFFFAOYSA-N 481.508 6.008 50 10 JKGE CCCOc1ccc(CC(O)=C(C#N)c2nc(-c3cc(C(C)(C)C)ccc3OC)cs2)cc1 2331349452 ULBWFZNQDSYJBA-UHFFFAOYSA-N 462.615 6.940 50 10 JKGE CC(=O)Nc1ccc(CC(O)=C(C#N)c2nc(-c3ccc(Oc4ccccc4)cc3)cs2)cc1 2331358609 UOIOGMUJDHPFTP-UHFFFAOYSA-N 467.550 6.596 50 10 JKGE COc1c(Cl)cc(Cl)cc1-c1csc(C(C#N)=C(O)CCc2ccc(Cl)cc2)n1 2331364259 YZFHWVAEMHJXGR-UHFFFAOYSA-N 465.789 7.204 50 10 JKGE COc1cc(OC)c(-c2csc(C(C#N)=C(O)c3cccc(NC(C)=O)c3)n2)cc1Cl 2331378727 VQDREGAJNOHXGS-UHFFFAOYSA-N 455.923 5.389 50 10 JKGE Cc1ccc(-c2csc(C(C#N)=C(O)c3ccc4c(c3)C(=O)N(C(C)(C)C)C4=O)n2)cc1C 2331382279 RUTIOUSRTQWELV-UHFFFAOYSA-N 457.555 5.771 50 10 JKGE CCOc1ccc(-c2csc(C(C#N)=C(O)C(c3ccccc3)c3ccccc3)n2)c(OCC)c1 2331387073 WGKMCPHYRAVJOK-UHFFFAOYSA-N 482.605 7.232 50 10 JKGE Fc1cc(Br)c(F)c(Br)c1[C@H](Br)[C@@H]1[C@H]2COCC[C@H]21 2334739598 JNTUURZZKFBXAC-DWCSTSAWSA-N 460.938 5.208 50 10 JKGE Cc1cc(I)c(Oc2ncc(CCl)cc2Br)cc1Cl 2336454193 RGUUVPACWSVYHZ-UHFFFAOYSA-N 472.935 5.942 50 10 JKGE Cn1cnc(Br)c1[C@@H](Br)c1scc(C(F)(F)F)c1Br 2337330706 SDZPKTGUBZGWPF-ZCFIWIBFSA-N 482.945 5.510 50 10 JKGE Cc1cc([C@H](Br)c2c(C)cc(Br)c(F)c2Br)sc1C 2339647368 ZXTOLWWSSKIKMZ-LBPRGKRZSA-N 471.027 6.822 50 10 JKGE BrC[C@H]1C[C@@H]2CC[C@H](C1)N2Cc1ccc(I)c(Br)c1 2349838492 VVCQJNQRCWFTNR-XYYAHUGASA-N 499.028 5.192 50 10 JKGE Clc1ccc(I)cc1CO[C@H]1C[C@H](Br)C12CCCC2 2352248744 UGIHFEWSDODKER-KBPBESRZSA-N 455.561 5.557 50 10 JKGE Cc1cc(C)cc([C@@H](Br)c2c(Cl)cc(Br)c(F)c2Br)c1 2362222320 HRVLJIIVIZDTAE-CYBMUJFWSA-N 485.416 7.105 50 10 JKGE CC[C@@H](C[C@H](Br)c1c(C)cc(Br)c(F)c1Br)C(C)(C)C 2365188074 HTADKKJVEKLZLW-QWRGUYRKSA-N 473.062 7.558 50 10 JKGE Cc1cc(Br)c(F)c(Br)c1[C@H](Br)C[C@@H]1C[C@H]1C(F)(F)F 2365192488 CLGHYHGERMRIQW-XLPZGREQSA-N 482.935 6.684 50 10 JKGE CC(C)[C@@H](Br)C(C)(C)CN(C)Cc1cc(Br)ccc1Br 2365908612 PUZPOGLIGWFAFR-OAHLLOKOSA-N 470.087 6.089 50 10 JKGE CCOc1cc(C(=O)Oc2ccc(/C=C(/C#N)c3ccccc3F)cc2)cc(OCC)c1OCC 31901658 QTWVQZGXCZCZKZ-QNGOZBTKSA-N 475.516 6.305 50 10 JKGE COc1cc(/C=C(/C#N)c2ccccc2)ccc1OC(=O)[C@H](C)Oc1ccc(Cl)cc1Cl 31901889 UFNAVPFXWACIJY-JJBLJPBOSA-N 468.336 6.439 50 10 JKGE O=C(CSc1nc2ccccc2[nH]1)N/N=C/c1ccccc1OCc1ccc(Br)cc1 32520581 ZTEMISQLIRCIND-DHRITJCHSA-N 495.402 5.147 50 10 JKGE CCc1cccc(CC)c1NC(=O)/C(C#N)=C\c1ccc(OC(=O)c2ccc(F)cc2)c(OC)c1 33686243 CDWIPXGKMVYEQM-JCMHNJIXSA-N 472.516 5.724 50 10 JKGE CCOc1ccc(/C=C\C(=O)Oc2ccc(/C=C(\C#N)c3ccc(Cl)cc3)cc2OC)cc1OC 35239973 UBJABEXNVZYVGO-XDUKGXSGSA-N 489.955 6.439 50 10 JKGE CCCOc1ccccc1[C@H]1C(C#N)=C(N)Oc2cc(OC(=O)c3cccc(Cl)c3)ccc21 38681769 UYLFLKCMRKEEFS-XMMPIXPASA-N 460.917 5.566 50 10 JKGE CCCCCOc1ccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)COc4ccccc4)ccc32)cc1 38685303 WTPCIOGJTJUHAY-NDEPHWFRSA-N 484.552 5.458 50 10 JKGE N#CC1=C(N)Oc2cc(OC(=O)c3ccccc3)ccc2[C@@H]1c1cccc(OCc2ccc(F)cc2)c1 38686827 RQJBBEKAWDZHOM-NDEPHWFRSA-N 492.506 5.842 50 10 JKGE Cc1c(C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@H]3c2ccc(C(C)C)cc2)oc2ccc(F)cc12 38687094 IZNAWLHEUURUEQ-SANMLTNESA-N 482.511 6.441 50 10 JKGE Cc1c(C(=O)N2CCC(C)CC2)oc2c1/C(=N/NC(=O)c1ccc(-c3ccccc3)cc1)CCC2 40822542 OIRLNSQJXFWTIM-BGABXYSRSA-N 469.585 5.598 50 10 JKGE O=C(CCCCCNc1ccc(C(F)(F)F)cc1[N+](=O)[O-])N/N=C/c1cc(Cl)ccc1O 59516453 MFELSQOMZGQZKC-RPPGKUMJSA-N 472.851 5.095 50 10 JKGE CCOc1cc(/C=C\C(=O)c2ccc(O)c(CCCl)c2)cc(Br)c1OCC 97029997 NPIHLVSLUHSNOE-ALCCZGGFSA-N 453.760 5.630 50 10 JKGE COc1cc(/C=C(/C#N)c2nc(-c3ccc(-c4ccccc4)cc3)cs2)cc(Br)c1O 97551119 ZJGXOJRLLFKCCH-JAIQZWGSSA-N 489.394 7.018 50 10 JKGE CCc1ccc(N2C(=O)[C@@H](Cc3ccccc3F)S/C2=C(/C#N)C(=O)NCc2ccccc2)cc1 101240825 HSUDRAOKAHEGQI-RAMZYJDASA-N 485.584 5.131 50 10 JKGE COc1ccc(-c2nn(-c3ccccc3)cc2/C=C2/C(=O)N(C3CCCC3)C(=O)C(C#N)=C2C)cc1 101338509 UDJJTTJIAILTAJ-PCLIKHOPSA-N 478.552 5.083 50 10 JKGE COc1cc(/C=C(/C#N)C(=O)Nc2nc3ccccc3s2)ccc1OCc1ccccc1C 102443954 GMKFPEQZRAIXRX-MOSHPQCFSA-N 455.539 5.738 50 10 JKGE Cc1ccc(N2C(=O)[C@H](Cc3ccccc3)S/C2=C(/C#N)C(=O)Nc2ccc(F)cc2)cc1 102764748 NQVYBMQDCWAUIF-YDYXIROLSA-N 457.530 5.199 50 10 JKGE COc1ccc([C@@H](Br)c2ccc(I)cc2)cc1Br 109833736 GPJPMBMNROWJKN-AWEZNQCLSA-N 481.953 5.547 50 10 JKGE Clc1cccc(Cl)c1[C@@H](Br)c1cc2c(cc1Br)OCCO2 109865664 DZUBGYDCGRMUAF-HNNXBMFYSA-N 452.957 6.011 50 10 JKGE Cc1cccc(CC(CBr)(CBr)c2cccc(Br)c2)c1 118878805 NHCIVUGAZTUJLN-UHFFFAOYSA-N 461.035 6.028 50 10 JKGE Clc1ccc([C@H](Br)c2cc(Br)c(Br)s2)c(Cl)c1 128194904 AIPVJKVIJOOWJX-JTQLQIEISA-N 479.846 7.064 50 10 JKGE CCCOc1ccc([C@@H](Br)c2ccc(C)c(Br)c2)cc1Br 229009638 OOVYSMJQNMMLHX-KRWDZBQOSA-N 477.034 6.793 50 10 JKGE Cc1sc(Br)cc1[C@@H](Cl)c1ccc(I)c(Cl)c1 232344373 AQSWKKDIGUCXJZ-LBPRGKRZSA-N 461.977 6.405 50 10 JKGE Cc1cc(Br)c([C@@H](Cl)c2cccc(Br)c2F)cc1Br 235815098 RYUSVQPURJEWLD-ZDUSSCGKSA-N 471.389 6.750 50 10 JKGE Cc1cc([C@H](Cl)c2cc(Cl)ccc2I)c(C)cc1Br 235880845 JTHUKGUFURPYGI-HNNXBMFYSA-N 469.975 6.652 50 10 JKGE O=C(COc1ccc(-c2ccccc2)cc1)NN=Cc1cccc(OC(=O)c2ccccc2)c1 254734007 LCOQCIDPKKONQQ-UHFFFAOYSA-N 450.494 5.102 50 10 JKGE Cc1cc(C=NNC(=O)c2cc3c(s2)CC[C@@H](C)C3)c(C)n1-c1ccc(Cl)c(C(F)(F)F)c1 254764209 CKQXKGCTZDCLRV-CYBMUJFWSA-N 493.982 6.717 50 10 JKGE Cc1cc([C@@H](Cl)c2cc(Br)sc2Br)c(C)cc1Br 300463862 OWONKCJHHKRLMS-GFCCVEGCSA-N 473.455 6.981 50 10 JKGE Clc1cc([C@H](Br)c2sccc2I)sc1Br 306838641 XPBZKSXUNIPXFZ-ZETCQYMHSA-N 498.430 6.314 50 10 JKGE CCOc1ccc([C@@H](Br)c2ccccc2OCc2ccccc2)c(Br)c1 311949121 JFSFEBOMTFLYBQ-JOCHJYFZSA-N 476.208 6.911 50 10 JKGE C[C@@H](Cl)c1nc2cc(F)c(Br)cc2n1[C@@H]1CCCN(Cc2ccccc2)C1 312178886 DUNQUHPANOYGQJ-GDBMZVCRSA-N 450.783 6.075 50 10 JKGE O=c1[nH]c2cc(Br)c([C@H](Br)c3ccccc3OCc3ccccc3)cc2[nH]1 312782121 YYNKQDCBZLUWGX-HXUWFJFHSA-N 488.179 5.682 50 10 JKGE Cc1ccc(C[C@@H](CBr)Cc2ccccc2Br)cc1Br 313692842 JOCSGFCBCXSGML-CQSZACIVSA-N 461.035 6.316 50 10 JKGE O=C(OCc1ccccc1)N1C[C@@H](CI)[C@@H](c2cccc(Cl)c2Cl)C1 382691156 IJAQDPCSHGPEEO-ZBFHGGJFSA-N 490.168 5.781 50 10 JKGE Fc1cc([C@H]2CN(Cc3ccccc3)C[C@H]2CI)ccc1Br 382692908 JKNKASAKWNWVKP-HZPDHXFCSA-N 474.155 5.239 50 10 JKGE Brc1cccc([C@H]2CN(Cc3ccccc3)C[C@H]2CI)c1 382699197 WAEOOIUFKWDUCP-SJLPKXTDSA-N 456.165 5.100 50 10 JKGE C[C@H](CN(C)Cc1ccccc1)n1c(CCl)nc2cc(I)ccc21 383248770 FSQJYKAPVGELKG-CQSZACIVSA-N 453.755 5.073 50 10 JKGE FC1(F)CCC[C@H]1CC(CBr)(CBr)c1ccccc1Br 400641282 SEPNMQBHHZBOSF-NSHDSACASA-N 475.009 6.302 50 10 JKGE CC(C)(C)[Si](C)(C)OCCN1CCCC[C@@H]1c1cccc(CO[Si](C)(C)C(C)(C)C)c1 616615175 RSUUUAQJJRQOMW-XMMPIXPASA-N 463.855 7.757 50 10 JKGE CC(C)(C)[Si](C)(C)OCCc1cccc([C@@H]2CCCCN(CCO[Si](C)(C)C(C)(C)C)C2)c1 616629825 QRRXCKDFTPZBMR-AREMUKBSSA-N 491.909 7.842 50 10 JKGE Fc1ccc(Br)cc1COc1cccc(Br)c1CBr 706818625 OFHIIQMZJULNPF-UHFFFAOYSA-N 452.943 5.825 50 10 JKGE N#C/C(=C/c1cc(Br)ccc1OCc1ccccc1F)C(=O)Nc1cccc([N+](=O)[O-])c1 1083975716 PQWOSFLFQUIWMO-YVLHZVERSA-N 496.292 5.621 50 10 JKGE C=CCc1cc(/C=C(\C#N)C(=O)Nc2ccc(C)cc2)ccc1OCc1ccc(Br)cc1 1084007557 NYAJQOAZLQHKJQ-XQNSMLJCSA-N 487.397 6.611 50 10 JKGE O=C(CCCOc1ccc(Cl)cc1Cl)NN=C(/C=C/c1ccccc1)c1ccccc1 1084172875 ULKITGCBQGVFGE-FJINUYNTSA-N 453.369 6.386 50 10 JKGE CCOc1ccc([C@H](O)CCC(=O)NN=Cc2cc(C)n(-c3ccc(C(C)C)cc3)c2C)cc1 1084280938 HCUWVFHQDLWBRN-HHHXNRCGSA-N 461.606 5.580 50 10 JKGE Cc1cc(C=NNC(=O)Cc2cccc(C(F)(F)F)c2)c(C)n1-c1ccc(C(=O)O)c(Cl)c1 1084330526 QHCZTYUXSIFGJM-UHFFFAOYSA-N 477.870 5.157 50 10 JKGE O=C(NN=Cc1cccc(OCc2ccccc2Cl)c1)c1cc(Br)ccc1O 1084401790 QJLKUFMNIFDRLC-UHFFFAOYSA-N 459.727 5.151 50 10 JKGE Cc1ccc(-n2c(C)c(Br)c(C=NNC(=O)CSc3ccc(Cl)cc3)c2C)cc1 1084527842 IUXCVZUKDIHJDO-UHFFFAOYSA-N 490.854 6.061 50 10 JKGE COc1ccc(-c2nn(Cc3ccc(Cl)cc3)c3c2[C@@H](c2ccccc2F)C(C#N)=C(N)O3)cc1 1865682907 AGGZRTOQLOXAFD-QHCPKHFHSA-N 486.934 5.618 50 10 JKGE CCCOc1ccc([C@H]2C(C#N)=C(N)Oc3c2c(C)nn3Cc2c(F)cccc2Cl)cc1 1865693011 HGOGVLWNWPAPOW-QFIPXVFZSA-N 452.917 5.039 50 10 JKGE Cn1cc([C@H]2C(C#N)=C(N)Oc3c2c(-c2ccccc2)nn3Cc2ccccc2F)c2ccccc21 1865699414 SZIAJEXZISVHQP-RUZDIDTESA-N 475.527 5.447 50 10 JKGE CCn1nc(-c2ccccc2)c2c1OC(N)=C(C#N)[C@@H]2c1ccc(OC(=O)c2ccccc2)cc1 1865704833 FRKALADHKPNRDY-QHCPKHFHSA-N 462.509 5.007 50 10 JKGE N#CC1=C(N)Oc2c(c(-c3ccccc3)nn2-c2ccccc2)[C@H]1c1ccc(Cl)c([N+](=O)[O-])c1 1865705740 DNBHNGLBTVJPBY-NRFANRHFSA-N 469.888 5.319 50 10 JKGE CN(CCC1(c2ccccc2)CCCCC1)C(=O)/C(C#N)=C/c1ccc(Br)cc1 1866367564 DYNQCPNOTAVFHY-DYTRJAOYSA-N 451.408 6.107 50 10 JKGE N#CSc1ccc(NC(=O)[C@H](NC(=O)[C@@H](Cc2ccncc2)c2ccccc2)c2ccccc2)cc1 1866704048 XAXPYRKAARXSBA-RRPNLBNLSA-N 492.604 5.477 50 10 JKGE COCCc1nc(Nc2ccc(SC#N)cc2)cc(N2CCc3ccccc3[C@@H]2C(C)C)n1 1868253620 NOXKEDVLQJMZCZ-SANMLTNESA-N 459.619 5.742 50 10 JKGE Cn1c(/C(C#N)=C/c2ccc(N3N=C(c4ccccc4)C[C@@H]3c3ccccc3)cc2)nc2ccccc21 1872726817 NKVZRWVGENVPNM-USMDNXLASA-N 479.587 6.993 50 10 JKGE CCCCc1ccc(-c2csc(/C(C#N)=C(\O)Cc3ccc(OCc4ccccc4)cc3)n2)cc1 1872745094 VVRGVEGVOAVFJA-OHYPFYFLSA-N 480.633 7.767 50 10 JKGE COc1ccc(C(C)(C)C)cc1-c1csc(/C(C#N)=C/c2cc3c(cc2[N+](=O)[O-])OCCO3)n1 1872792960 ADHPMMXXFHKSFS-CXUHLZMHSA-N 477.542 5.860 50 10 JKGE O=C(c1ccc(Br)cc1Br)N(Cc1ccccc1)[C@H](CCl)C1CC1 1915158406 CFCFYGFBPWFJGM-GOSISDBHSA-N 471.620 5.871 50 10 JKGE CC[C@@H](c1ccccc1)[C@@H](Br)c1sc(Br)cc1Br 1922945912 LSQJYQUVLPDINC-GXFFZTMASA-N 453.037 6.903 50 10 JKGE C[C@H]1C[C@H]([C@@H](Br)c2c(Br)sc(Br)c2Cl)C[C@@H](C)O1 1923065908 IYKOKQMHJXIUOP-JVZYCSMKSA-N 481.475 6.566 50 10 JKGE Clc1c(Br)sc(Br)c1[C@H](Br)C[C@@H]1CC[C@@H]2C[C@@H]12 1923066900 WKEXTZZUCQLLHD-ULAWRXDQSA-N 463.460 6.799 50 10 JKGE Cc1sccc1[C@@H](Br)c1c(Br)sc(Br)c1Cl 1923070969 FWODHEQZAUXNGV-SSDOTTSWSA-N 465.457 6.781 50 10 JKGE C[C@@H](c1ccncc1Br)[C@H](Br)c1c(F)cc(Br)cc1F 1924040103 MRGQDNPEOJYAEA-WJWGPLDTSA-N 469.949 6.125 50 10 JKGE C[C@@H](C1CC1)[C@H](Br)c1c(Br)sc(Br)c1Br 1924576258 LYAAHSXOEIXBJC-FFWSUHOLSA-N 481.873 6.518 50 10 JKGE Brc1sc(Br)c([C@@H](Br)C[C@H]2CCOC2)c1Br 1924604348 AKYLNPGWFVZESK-RITPCOANSA-N 497.872 5.898 50 10 JKGE Cl[C@H](c1c(Br)sc(Br)c1Br)C1[C@H]2COC[C@H]12 1924605034 LLIFLAWZLMWJHL-ZYYOCXGQSA-N 451.405 5.208 50 10 JKGE Clc1ccc(Br)c([C@@H](Cl)c2c(Cl)sc(Br)c2Cl)c1 1925588329 OIEXBRPGOADFAT-MRVPVSSYSA-N 469.840 7.562 50 10 JKGE Clc1sc(Br)c(Cl)c1[C@@H](Br)[C@@H]1COc2ccccc2O1 1925597405 DPACGFVCBXOEFR-WPRPVWTQSA-N 458.986 6.093 50 10 JKGE CC(=O)[C@@H](Br)[C@@H](C)c1cc(Br)c(Br)c(Br)c1 1938597080 WIHNXUKXQDSEOX-RRAGMBSWSA-N 477.816 5.430 50 10 JKGE CCOc1ccc([C@H](Br)c2scc(Br)c2Br)s1 2026379441 YKJQJHRAFOAQIE-JTQLQIEISA-N 461.038 6.218 50 10 JKGE Cc1c(Br)sc([C@H](Br)C2[C@@H]3CCCCC[C@@H]23)c1Br 2048336295 DWBGHWQGZBIOFY-KBVBSXBZSA-N 457.069 6.844 50 10 JKGE CO[C@@H]1CCC[C@@H]([C@@H](Br)c2sc(Br)c(C)c2Br)C1 2062719984 ZUAWOZINFGSSDX-FXPVBKGRSA-N 461.057 6.223 50 10 JKGE COc1cc(-n2nc(CBr)c(Br)c2C(F)(F)F)cc(C(F)(F)F)c1 2079229615 JRKGRXQSZRXYFN-UHFFFAOYSA-N 482.016 5.576 50 10 JKGE CCCC[C@@H](C)CC[C@H](Cl)c1c(Br)sc(Br)c1Br 2086056285 HISGKTUUAFVADT-BDAKNGLRSA-N 481.519 7.922 50 10 JKGE C[C@@H]1Cc2cc([C@H](Br)c3coc(Br)c3)cc(Br)c2O1 2090471583 YIAVWHZPGUIPKE-UHLUBPPHSA-N 450.952 5.612 50 10 JKGE ClCc1c(Br)cccc1OCc1ccc(Br)cc1Br 2092268531 YFFDDBRUZGTNPU-UHFFFAOYSA-N 469.398 6.292 50 10 JKGE CC[C@H](Br)[C@H]1CCCCN1Cc1c(Br)cccc1Br 2114189319 LZEOLLPEKUHFRO-SWLSCSKDSA-N 454.044 5.740 50 10 JKGE CN(C(=O)c1scc(Br)c1Br)[C@@H]1CCCCC[C@@H]1Br 2115909281 AJFGKMAFEHGXTG-WCBMZHEXSA-N 474.056 5.441 50 10 JKGE COc1cc(C)c(Br)cc1[C@H](Br)c1cc(Br)c(Cl)s1 2115943313 UZAPHWUCYFDIQA-LBPRGKRZSA-N 489.454 6.728 50 10 JKGE O=C(c1csc(Br)c1Br)N1C[C@H](Br)C2(CCCC2)C1 2117755653 IAROTZZWHZVEJR-VIFPVBQESA-N 472.040 5.053 50 10 JKGE CCn1cc(Br)c([C@H](Br)c2cc(Cl)c(Br)cc2F)n1 2124767386 MSLOXNXUZJSMHU-LLVKDONJSA-N 475.381 5.705 50 10 JKGE CC(C)(C)OC(=O)N1CCC(CI)(OC[C@H]2C[C@H]2C2CCCCC2)CC1 2135787741 DFKSZTOWUFPQBB-MSOLQXFVSA-N 477.427 5.424 50 10 JKGE Cc1cc(Br)c(C)c([C@H](Br)C2CCC(C)CC2)c1Br 2136379913 PEDWQIMJYOOLNT-FZGCPMGESA-N 453.056 7.091 50 10 JKGE COc1cc(Cl)c([C@@H](Br)c2ccccc2OCc2ccccc2)cc1Br 2137648730 QJXFGMNOFAKUCA-NRFANRHFSA-N 496.626 7.174 50 10 JKGE Cc1cc(Br)c(F)c([C@H](Cl)c2ccc(Br)cc2Br)c1 2138873127 WJEHORLFUBPLHS-CYBMUJFWSA-N 471.389 6.750 50 10 JKGE Fc1cccc([C@@H](Cl)c2cc(Br)c3c(c2)CCO3)c1I 2146627317 JJKMFQFGZCTGCA-ZDUSSCGKSA-N 467.503 5.456 50 10 JKGE Cc1cc(Br)c([C@@H](Br)[C@@H]2CC3(CCCC3)CO2)cc1Br 2166267624 QPAUXNKYXGJHJY-LSDHHAIUSA-N 467.039 6.305 50 10 JKGE CC1(C)CN(Cc2ccccc2)C[C@H]1n1c(CCl)nc2cc(Cl)c(Br)cc21 2169014995 GNYXQQWXHKQKTF-LJQANCHMSA-N 467.238 6.274 50 10 JKGE Cc1cc(Br)c(-n2cc(CCC[C@H](C)Br)nn2)c(Br)c1 2189285338 USCUDDWLSUADCH-JTQLQIEISA-N 466.015 5.207 50 10 JKGE COc1cc([C@H](Br)[C@@H](C)c2ccncc2Br)ccc1Br 2192156065 NZASJIGXFKXELR-BJOHPYRUSA-N 463.995 5.855 50 10 JKGE Cc1cc(Br)c(C)c([C@@H](Br)[C@@H]2[C@H]3CCCCC[C@H]32)c1Br 2201077253 IZJAVKDTOVWQQO-PZNPJNSTSA-N 465.067 7.091 50 10 JKGE COc1cc(F)c([C@H](Cl)c2cccc(Br)c2Br)cc1Br 2202903117 ZVVDYJVQFJHESE-CQSZACIVSA-N 487.388 6.450 50 10 JKGE COc1cc(F)c([C@@H](Br)Cc2ccccc2Br)cc1Br 2202912897 KOSNCQJPLQXTHL-LBPRGKRZSA-N 466.970 6.038 50 10 JKGE COc1c(Cl)cc(Br)cc1[C@H](Br)c1cc2sccc2s1 2203000024 CQUVIKAKAXSGCU-ZDUSSCGKSA-N 452.620 6.872 50 10 JKGE ClCc1nc2ccc(Br)cc2n1C[C@@H]1CC1(Br)Br 2217993323 XSSZCASTBKNCSR-ZETCQYMHSA-N 457.391 5.044 50 10 JKGE Fc1cc(Br)c(Br)cc1[C@H](Br)[C@H]1C[C@@H]1C(F)(F)F 2218595821 AXWPNCCKUYZFFH-DMXGEVFUSA-N 454.881 5.985 50 10 JKGE CC1(C)C[C@@]1(Cl)[C@@H](Br)c1c(Br)cc(Cl)c(Cl)c1Cl 2222049083 YVXFRQAWLQDOOL-CMPLNLGQSA-N 455.832 7.253 50 10 JKGE ClCc1nc2cc(Cl)c(Br)cc2n1C[C@H]1CC1(Br)Br 2224800268 GGOGRWCPJYRETR-ZCFIWIBFSA-N 491.836 5.697 50 10 JKGE Cc1sc([C@H](Br)c2cc(Br)c(Cl)cc2F)c(Br)c1C 2229324797 ZTFFLCSPGGAKNM-GFCCVEGCSA-N 491.445 7.167 50 10 JKGE COc1cc(C)c(Br)cc1[C@H](Br)c1sc(C)c(C)c1Br 2237630333 UNDDHIMLYSSACM-AWEZNQCLSA-N 483.063 6.691 50 10 JKGE Brc1coc([C@H](Br)c2csc3c(Br)cccc23)c1 2258147557 INWGDOJZXAWMRN-GFCCVEGCSA-N 450.977 6.504 50 10 JKGE Brc1cc([C@@H](Br)c2ccc3scnc3c2)c(Br)s1 2264036781 FZIYNBYJCLNBPQ-NSHDSACASA-N 468.033 6.367 50 10 JKGE CCc1cc([C@H](Br)c2cc(F)c(Br)cc2F)sc1Br 2267867356 WTUGMVWENJTGPZ-GFCCVEGCSA-N 474.990 6.598 50 10 JKGE COc1c([C@H](Br)c2cc(Br)c(C)cc2Br)csc1C 2271612293 RHAMTQDNZAJYGB-CYBMUJFWSA-N 469.036 6.383 50 10 JKGE CCCOC1([C@@H](Br)c2c(F)cc(Br)c(F)c2Br)CC1 2272736231 XFHHPPXZBXIRKY-LBPRGKRZSA-N 462.954 5.885 50 10 JKGE Fc1cccc(Br)c1CC[C@H](Br)c1ccc(Br)cc1 2274027561 MDNHPHLXCOCPOV-ZDUSSCGKSA-N 450.971 6.420 50 10 JKGE Cc1sc([C@H](Cl)c2cc3sc(Br)cc3s2)c(C)c1Br 2278089728 VSOVXGSTFPKWEZ-GFCCVEGCSA-N 456.677 7.494 50 10 JKGE COc1ccc([C@H](Br)c2c(F)cccc2Br)c(Br)c1Cl 2283555721 UXKCOULPSHYVTE-LBPRGKRZSA-N 487.388 6.497 50 10 JKGE O=C(NC[C@@H]1CCCC[C@@H](Br)C1)c1ccc(Cl)c(I)c1 2283653173 CVBYZTGQPGILFR-ZYHUDNBSSA-N 470.576 5.018 50 10 JKGE Fc1cc(Br)c(F)c(Br)c1[C@H](Br)c1cscc1C(F)F 2288362173 GVVKMWYERLWYMA-SECBINFHSA-N 496.943 6.973 50 10 JKGE COc1cc(C)c(Cl)cc1[C@H](Br)Cc1ccccc1I 2295300982 GIGBXGPWFXGIEA-CYBMUJFWSA-N 465.556 5.940 50 10 JKGE Cc1ccccc1CSC(Nc1ccc(Br)cc1)=C(C#N)S(=O)(=O)c1ccccc1 2297350032 OEBUIPAJCWQWPH-UHFFFAOYSA-N 499.455 6.269 50 10 JKGE C[C@@H]1C[C@@H](C[C@@H](Br)c2ccc(OCc3ccccc3)cc2Br)CO1 2299490295 XOMFOCXLATXOPR-SIXWZSSISA-N 454.202 6.279 50 10 JKGE C[C@H]([C@@H]1CCCO1)[C@@H](Br)c1cc(Br)ccc1OCc1ccccc1 2299499920 AVAFHIYGUSIJTE-HEFCMCLBSA-N 454.202 6.279 50 10 JKGE Fc1ccc([C@H](Cl)c2sc(Cl)cc2I)c(Br)c1 2300955395 LSJNBTDJCIPONA-JTQLQIEISA-N 465.940 6.236 50 10 JKGE COc1ccc(CNC(=O)C(C#N)=Cc2cc(Br)ccc2OCc2ccc(F)cc2)cc1 2313724606 MOFPQINVMSURSG-UHFFFAOYSA-N 495.348 5.399 50 10 JKGE CCOc1cc(C=C(C#N)c2nc(O)c3ccccc3n2)ccc1OCC(=O)Nc1cccc(C)c1 2314433126 KDSYSVLVCWNQAL-UHFFFAOYSA-N 480.524 5.124 50 10 JKGE CC[C@H](CC(F)(F)F)[C@H](Br)c1cc(Br)ccc1OCc1ccccc1 2314452848 QYIAXKFVYDVSNE-KDOFPFPSSA-N 480.162 7.443 50 10 JKGE Brc1ccc(OCc2ccccc2)c([C@@H](Br)C2CC3(C2)CC32CC2)c1 2314492903 YGKYBQCPDFYELU-BRFBUHTJSA-N 462.225 7.044 50 10 JKGE CCCCN1C(=O)C(=Cc2cn(-c3ccccc3)nc2-c2c(C)cc(C)cc2C)C(C)=C(C#N)C1=O 2314610334 GEUSKXRQWZNWSA-UHFFFAOYSA-N 478.596 5.857 50 10 JKGE CC1=C(C#N)C(=O)N(CCc2ccccc2)C(=O)C1=Cc1ccc(-c2cc(Cl)ccc2Cl)o1 2314616504 CGTSTGCNMHJWSC-UHFFFAOYSA-N 477.347 6.088 50 10 JKGE COc1ccc(C=CC(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@@H]3c2ccccc2Cl)cc1 2314634169 WKISSHMAEZLPLH-RUZDIDTESA-N 458.901 5.186 50 10 JKGE CCCCCCOc1ccc(C=C(C#N)C(=O)Nc2ccc(Br)cc2F)cc1OC 2314951226 SQPFOIJIIXAEFS-UHFFFAOYSA-N 475.358 6.102 50 10 JKGE Fc1ccc([C@H](Br)c2sc(Cl)cc2I)c(F)c1F 2316599768 WJNMPBXDPZBUMK-QMMMGPOBSA-N 467.475 5.908 50 10 JKGE Cc1c(Cl)cc(C(=O)N[C@H](CCBr)COCc2ccccc2)cc1Br 2320362241 UHQKONFDPKKLAC-MRXNPFEDSA-N 489.635 5.511 50 10 JKGE CCCOc1ccc(C=NNC(=O)c2ccc(-c3ccc(Cl)c(Cl)c3)nc2C)cc1OC 2321250775 XSCVYGMGOCZXRO-UHFFFAOYSA-N 472.372 5.925 50 10 JKGE Cc1ccc(-c2csc(C(C#N)=C(O)CN3C(=O)c4ccc(Br)cc4C3=O)n2)c(C)c1 2331311044 JEDYLDYELCNZSZ-UHFFFAOYSA-N 494.370 5.278 50 10 JKGE COc1cc(C=CC(O)=C(C#N)c2nc(-c3ccc(F)c(C)c3)cs2)ccc1OC(C)=O 2331320352 CCHJMCJSKUAQMM-UHFFFAOYSA-N 450.491 5.698 50 10 JKGE CC[C@@H](C)N1C(=O)c2ccc(C(O)=C(C#N)c3nc(-c4ccc(OC)c(C)c4C)cs3)cc2C1=O 2331361302 GNAZUKRZQDUXFA-CQSZACIVSA-N 487.581 5.780 50 10 JKGE Cc1cc2sc([C@@H](Cl)c3ccc(OCc4ccccc4)cc3Br)cc2s1 2336037436 DDRZJYQMQWKPFR-NRFANRHFSA-N 463.849 7.941 50 10 JKGE Fc1c(Br)cc(Cl)c([C@@H](Br)[C@@H]2CC3(CC3)CO2)c1Br 2337083943 FZSCKGJMLFJEGL-WPRPVWTQSA-N 477.393 6.009 50 10 JKGE FC1(F)CC[C@H](Br)[C@H](Cc2ccc(Cl)c(I)c2)CC1 2337273671 VSOZIVIXIJMOLG-QWRGUYRKSA-N 463.531 6.076 50 10 JKGE Cl[C@H]1C[C@H](Oc2cc(Br)cc(I)c2)C12CCCCC2 2338757156 HBQPXNHLLHURJU-KBPBESRZSA-N 455.561 5.763 50 10 JKGE Cc1c([C@H](Cl)c2c(Br)sc(Br)c2Cl)ccc(Cl)c1Cl 2339046324 RRWZXPZZGXCZFK-VIFPVBQESA-N 483.867 7.870 50 10 JKGE Clc1ccc(C[C@@H](CBr)c2ccccc2Cl)c(I)c1 2341052158 RTKIUSZGBXYSTO-NSHDSACASA-N 469.975 6.319 50 10 JKGE C[C@H](Br)CC1C[C@@H]2CC[C@H](C1)N2Cc1sccc1I 2341250003 OLHVEIWDYPLJDZ-WODVXLOZSA-N 454.215 5.269 50 10 JKGE O=C(CCc1cc(Cl)cc(Cl)c1)N[C@H](CCBr)COCc1ccccc1 2343411902 KLSAMJXMADGGDF-LJQANCHMSA-N 459.211 5.413 50 10 JKGE Brc1cc(OCc2ccccc2)ccc1[C@H](Br)[C@@H]1C[C@@H]2CCCCCC[C@@H]21 2361168113 JJJHYAAFOUCHMI-UXEORXRVSA-N 492.295 8.071 50 10 JKGE CC12CC(C1)[C@H]([C@@H](Br)c1c(Cl)cc(Br)c(F)c1Br)CO2 2362898827 XNMPVIBRGLULKE-FDMZJPOOSA-N 491.420 6.255 50 10 JKGE CCCc1sc(Br)cc1[C@H](Br)c1ccc(OC)c(Br)c1 2363261787 DUDCMPGLOZCPBE-OAHLLOKOSA-N 483.063 6.719 50 10 JKGE Cc1c(Br)ccc([C@@H](Br)[C@@H]2COC3(CCC3)CO2)c1Br 2364134969 NYIJTFGLBOSXPT-GXTWGEPZSA-N 469.011 5.294 50 10 JKGE Cc1cc(Br)c(F)c(Br)c1[C@H](Br)[C@H]1CC[C@H]1C(F)(F)F 2365192422 CHBFIPFKPZDUQJ-NYNCVSEMSA-N 482.935 6.684 50 10 JKGE CC(C)[C@H](Br)C(C)(C)CN(C)Cc1c(Br)cccc1Br 2365898412 JDCJRJGPSJILSU-HNNXBMFYSA-N 470.087 6.089 50 10 JKGE CC[C@@H](OCc1ccc(I)c(Br)c1)c1nc(CCl)cs1 2377635586 AIZYEUACYCFYBP-CYBMUJFWSA-N 486.600 5.917 50 10 JKGE CC1CCC([C@H](CBr)NC(=O)c2scc(Br)c2Br)CC1 2379729007 FWXUXAWADDOSRN-AMUVOQDHSA-N 488.083 5.593 50 10 JKGE CCOc1cc(/C=N/NC(=O)[C@H]2C[C@@H]2c2ccc(C(C)(C)C)cc2)ccc1OCc1ccccc1 6600634 QVNJRUHQCIVISJ-CHOWXXKISA-N 470.613 6.216 50 10 JKGE CCSc1sc(CC)cc1[C@H]1C(C#N)=C(N)N(c2cccc(Cl)c2)C2=C1C(=O)CC(C)(C)C2 9981550 QLDSQOKLXNDGMW-QFIPXVFZSA-N 498.117 7.017 50 10 JKGE C[C@H]1Cc2cc(-c3nn(-c4ccccc4)cc3/C=C(/C#N)c3nc4ccccc4n3C)ccc2O1 15226411 PNKQLVFIOIRKSA-ODENVGOISA-N 457.537 5.814 50 10 JKGE N#C/C(C(=O)NN=Cc1ccc(-c2ccccc2)cc1)=C1/C[C@H](c2ccccc2)c2ccccc21 15777562 GPTFVRJDPXLHPB-XKTAPKKWSA-N 453.545 6.317 50 10 JKGE C/C(=N\NC(=O)[C@@H]1C[C@H]1c1ccc(C(C)(C)C)cc1)c1ccc(NC(=O)c2ccc(Cl)cc2)cc1 20157892 HTARNNOWABQFGZ-UGQXXUITSA-N 488.031 6.534 50 10 JKGE C/C(=N\NC(=O)[C@H]1C[C@H]1c1ccc(C(C)(C)C)cc1)c1cccc(NC(=O)c2cccc(F)c2)c1 20157912 WQTXVJPUASVZAC-FEQVGWTLSA-N 471.576 6.019 50 10 JKGE Cc1cc(/C=C(C#N)\C(O)=N\c2cc(C(F)(F)F)ccc2Cl)c(C)n1-c1ccc(Cl)cc1 33404550 VOFABNXXYRQPIK-YBEGLDIGSA-N 478.301 7.615 50 10 JKGE CCC(C)(C)c1ccc(OCCCC(=O)N/N=C(/C)c2cccc([N+](=O)[O-])c2)c(C(C)(C)CC)c1 35168723 YLQVCWJVSGZAPZ-BRPDVVIDSA-N 481.637 6.669 50 10 JKGE CCCCSc1ccc(-c2nn(-c3ccccc3)cc2/C=C2/C(=O)N(CC)C(=O)C(C#N)=C2C)cc1 38603158 GIGGSLIXODFRKX-KOEQRZSOSA-N 496.636 6.044 50 10 JKGE CCCCOc1cccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4ccc(OC(C)C)cc4)ccc32)c1 38685160 WTYZLFIFLSTSAM-MUUNZHRXSA-N 498.579 6.090 50 10 JKGE CCOc1ccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4oc5cc(C)cc(C)c5c4C)ccc32)cc1 38701408 CWFBWPXVRWNFLA-MHZLTWQESA-N 494.547 6.194 50 10 JKGE Cc1cccc(NC(=O)/C(C#N)=C\c2c(Oc3ccc(Cl)cc3)nc3c(C)cccn3c2=O)c1 39858604 UZNFJDXDOSTMDY-JXAWBTAJSA-N 470.916 5.303 50 10 JKGE O=C(CCCc1c(-c2ccc3ccccc3n2)[nH]c2ccc(F)cc12)NNC(=O)c1ccccc1 39867624 BYHQPTPSIJKTQT-UHFFFAOYSA-N 466.516 5.306 50 10 JKGE O=C(NNc1ncnc(Oc2cccc3ccccc23)c1[N+](=O)[O-])C(c1ccccc1)c1ccccc1 40583537 NBBWCGWUOXUSFR-UHFFFAOYSA-N 491.507 5.606 50 10 JKGE Cc1c(C(=O)Oc2cccc3ccccc23)oc2c1/C(=N/NC(=O)c1cccc3ccccc13)CCC2 40813617 NEKJNBIQYRUOOK-WGPBWIAQSA-N 488.543 6.584 50 10 JKGE CCCCCOc1ccc(/C=C/C(=O)Oc2ccc(/C=C(\C#N)c3ccccc3)cc2OC)cc1OC 40851079 FYSGFGXEPUYGKW-GTXSHHBDSA-N 497.591 6.956 50 10 JKGE CN(c1ccccc1)c1ccc(/C=N/NC(=O)CN(Cc2ccccc2)Cc2ccccc2)cc1 59148023 GCRUXNAKUMNRDX-NJZRLIGZSA-N 462.597 5.607 50 10 JKGE CCc1ccccc1NC(=O)/C(C#N)=C\c1cc(Br)ccc1OCc1cccc(C)c1 59296885 WVMYVZRLMZHHDY-HMAPJEAMSA-N 475.386 6.445 50 10 JKGE O=C(N/N=C\c1cc(Br)ccc1OC(=O)c1ccccc1)c1ccc(Cl)cc1 59500444 RVUYTHHJPHEKII-CFRMEGHHSA-N 457.711 5.086 50 10 JKGE CS(=O)(=O)c1cccc([C@H](Br)c2cc(Cl)c(Br)cc2F)c1 97895764 WPJFDURMMSIVEL-AWEZNQCLSA-N 456.558 5.129 50 10 JKGE COc1ccc(N/C=C(/C#N)c2nc(-c3cccc(Br)c3)cs2)c([N+](=O)[O-])c1 102421990 HZUDHFNNTHJVLM-RAXLEYEMSA-N 457.309 5.466 50 10 JKGE CCOC(=O)c1c(N/C=C(\C#N)c2nc(-c3ccc(CC(C)C)cc3)cs2)sc(C(C)=O)c1C 103641510 NXQQJTWGOHWSDC-DEDYPNTBSA-N 493.654 6.734 50 10 JKGE COc1cc(CBr)cc(Br)c1OCc1cc(Br)cs1 104185697 DLTSSJXPQBSXMI-UHFFFAOYSA-N 471.008 5.756 50 10 JKGE Cc1nc2n(C)c3ccccc3n2c1C(=O)C[P+](c1ccccc1)(c1ccccc1)c1ccccc1 104689359 ABQVJEGNOJQFCX-UHFFFAOYSA-N 488.551 5.311 50 10 JKGE COc1ccc(Cl)cc1[C@@H](Br)c1cc(Br)sc1Br 109869902 NEYOHFUAPLXZJU-LLVKDONJSA-N 475.427 6.419 50 10 JKGE Brc1cccc(C[C@H](Br)c2cccc(I)c2)c1 110303697 QNUKLPUICAOROH-AWEZNQCLSA-N 465.954 5.732 50 10 JKGE Fc1ccc(Br)cc1C[C@H](CBr)c1cccc(Br)c1 118661335 VDZZRJXLABYGIN-GFCCVEGCSA-N 450.971 6.072 50 10 JKGE Fc1cc(Br)ccc1C[C@@H](CBr)c1ccccc1Br 118665125 QRZNCMSXXGRDHQ-NSHDSACASA-N 450.971 6.072 50 10 JKGE Cc1cc(Br)c([C@H](Br)c2ccc(Cl)c(Cl)c2)cc1Br 128750840 UIBRCGPRIDYPJB-CQSZACIVSA-N 487.844 7.311 50 10 JKGE Cc1ccc(C)c(C[C@@H](Br)c2cc(Br)c(C)cc2Br)c1 128817583 PVGJJDAWJCVUEJ-QGZVFWFLSA-N 461.035 6.816 50 10 JKGE CCOc1ccc(Br)cc1[C@H](Br)c1ccc(Br)c(Cl)c1 129176534 JLXHIINRSVVULI-OAHLLOKOSA-N 483.425 6.748 50 10 JKGE Cc1cc(Br)c([C@H](Br)c2cccc(C)c2Cl)cc1Br 163014696 QRPNTDFQKGKYNM-CQSZACIVSA-N 467.426 6.966 50 10 JKGE Fc1ccc([C@H](Br)c2csc3c(Br)cccc23)c(Br)c1 163513556 XJTCAXRUXHTRIO-AWEZNQCLSA-N 479.006 7.050 50 10 JKGE ClC[C@]1(C(Cl)Cl)[C@H]2CC(Cl)(Cl)[C@@]1(C(Cl)Cl)[C@H](Cl)C2(Cl)Cl 197056598 DGYUTICLLXPLLK-DMMRMUBYSA-N 482.704 6.794 50 10 JKGE CCCCCCOc1ccc(/C=C(/C#N)C(=O)Nc2nc(-c3ccc(F)cc3)c(C)s2)cc1OC 207200808 LULPYYDMDOMYDC-QNGOZBTKSA-N 493.604 6.771 50 10 JKGE CCOc1ccc([C@@H](Br)c2ccc(Br)cc2C)cc1Br 228997850 GEXZOIQPEALMQR-MRXNPFEDSA-N 463.007 6.403 50 10 JKGE CC(=NNC(=O)Cc1ccc(Cl)cc1)c1ccc(NC(=O)COc2ccc(Cl)cc2)cc1 252631868 VNLOLPXDXWQCDE-UHFFFAOYSA-N 470.356 5.094 50 10 JKGE CC(=NNC(=O)COc1cc(C)c(Br)cc1C(C)C)c1ccc(Br)cc1 254292596 NEBXMPMTRBNFKT-UHFFFAOYSA-N 482.216 5.563 50 10 JKGE C=CCc1ccccc1OCC(=O)NN=Cc1c(OC(=O)c2ccc(C)cc2)ccc2ccccc12 254482609 TYCCIYDSAZQHRH-UHFFFAOYSA-N 478.548 5.625 50 10 JKGE CCc1ccc(OCC(=O)NN=Cc2c(OC(=O)c3ccc(C)cc3)ccc3ccccc23)cc1 254484879 QNRYZGXDELQORV-UHFFFAOYSA-N 466.537 5.459 50 10 JKGE C[C@H]1CCC[C@H](C)N1C(=O)COc1ccc(C(=O)NN=Cc2ccc(Nc3ccccc3)cc2)cc1 254566962 PUTSRPYIQZNVCA-VXKWHMMOSA-N 484.600 5.362 50 10 JKGE CCn1nc(C)c(C=NNC(=O)c2cc(-c3ccc(Cl)c(Cl)c3)nc3ccccc23)c1C 254678119 NWHKZRCZEXZQJG-UHFFFAOYSA-N 466.372 5.806 50 10 JKGE ClCc1nc2cc(I)ccc2n1C1CCN(Cc2ccccc2)CC1 301471007 MYODRWDYYNSUDB-UHFFFAOYSA-N 465.766 5.217 50 10 JKGE C[C@H]([C@H]1CCN(Cc2ccccc2)C1)n1c(CCl)nc2cc(Br)c(F)cc21 312482896 IUUOLHVGYJHYKB-ZBFHGGJFSA-N 450.783 5.760 50 10 JKGE FC(F)(F)CCC(CBr)(CBr)c1ccc(Br)cc1 396528295 JGFLXMPDXSTVLS-UHFFFAOYSA-N 452.934 5.819 50 10 JKGE C[C@H](Cl)c1nc2cc(Br)c(F)cc2n1[C@@]1(C)CCN(Cc2ccccc2)C1 405962364 PJBLLRTZVCOWKA-QKKBWIMNSA-N 450.783 5.859 50 10 JKGE CC(C)(C)[Si](C)(C)OCCN1CCNC[C@H]1c1ccc(CO[Si](C)(C)C(C)(C)C)cc1 616635322 CWOCAZGAFGTJSX-QHCPKHFHSA-N 464.843 6.177 50 10 JKGE CCOc1ccc([C@H](Br)c2cn(CC)c(Br)n2)cc1Br 698391746 NJVWQXONVGEYDH-ZDUSSCGKSA-N 466.999 5.311 50 10 JKGE COc1ccc([C@@H](Br)c2scc(Br)c2Br)cc1C 705426979 PQNZURURZDCPHY-LLVKDONJSA-N 455.009 6.074 50 10 JKGE CCCOc1ccc(C(=O)NN=Cc2ccc(OCc3ccc(Br)cc3)c(OC)c2)cc1 725445266 GOMYCWPCLWIYLT-UHFFFAOYSA-N 497.389 5.589 50 10 JKGE C[C@H](SCc1ccccc1)C(=O)NN=C1C(=O)N(Cc2ccccc2Cl)c2ccccc21 1083928675 LFESGDUZZLDXBF-KRWDZBQOSA-N 463.990 5.029 50 10 JKGE Cc1ccc(NC(=O)C(=O)NN=Cc2cc(C)n(-c3cccc(Cl)c3Cl)c2C)cc1C 1083977892 VZAHHYFBYDDTJN-UHFFFAOYSA-N 457.361 5.107 50 10 JKGE COc1cc(C=NNC(=O)c2ccc(C(C)(C)C)cc2)cc(Br)c1OCc1ccccc1 1084069254 OWMCUFIHELGMJQ-UHFFFAOYSA-N 495.417 6.098 50 10 JKGE O=C(NN=Cc1ccc(OCc2ccc(Cl)cc2Cl)cc1)c1ccc(Br)cc1 1084119079 PYDBJJDKEALFRT-UHFFFAOYSA-N 478.173 6.099 50 10 JKGE CCOc1cc(C=NNC(=O)c2ccccc2-n2cccc2)ccc1OCc1cccc2ccccc12 1084122584 RVSSHTRVAPOUNY-UHFFFAOYSA-N 489.575 6.372 50 10 JKGE O=C(C=C(Sc1ccccc1)Sc1ccccc1)NN=Cc1ccccc1OCc1ccccc1 1084412235 FAATXUGEGYTYLR-UHFFFAOYSA-N 496.657 7.142 50 10 JKGE Cc1c(C(=O)Nc2cc(Cl)ccc2Cl)oc2c1C(=NNC(=O)c1ccccc1Cl)CCC2 1772744309 UQPXEIQDWXWZMT-UHFFFAOYSA-N 490.774 6.271 50 10 JKGE COc1ccc(NC(=O)c2oc3c(c2C)C(=NNC(=O)c2ccc(Cl)cc2Cl)CCC3)cc1 1772747381 HAQQQWJGYBMPRQ-UHFFFAOYSA-N 486.355 5.626 50 10 JKGE CCc1ccc(OCC(=O)NN=Cc2cc(Br)ccc2OCc2ccccc2)cc1 1772754030 MLSLLVKYJAHATI-UHFFFAOYSA-N 467.363 5.120 50 10 JKGE CCOc1c(Br)cc(C=NNC(=O)[C@@H](C)Oc2cc(C)c(Cl)c(C)c2)cc1OC 1772755693 CTGYKBDFVJSUEP-CQSZACIVSA-N 483.790 5.044 50 10 JKGE C=CCOc1ccccc1[C@H]1C(C#N)=C(N)Oc2c1c(-c1ccccc1)nn2-c1cccc2ccccc12 1865690911 DXFSYWZVORVXTI-NDEPHWFRSA-N 496.570 6.475 50 10 JKGE CCCc1nn(Cc2ccc(Cl)cc2)c2c1[C@H](c1ccc(OC(C)C)c(OC)c1)C(C#N)=C(N)O2 1865696105 CFGHHTMFKVXVOU-XMMPIXPASA-N 493.007 5.551 50 10 JKGE Cc1nc(-c2ccc(Cl)c(Cl)c2)ccc1C(=O)NNC(=O)c1ccc(C(F)(F)F)cc1 1865758985 CJZRPBPEHJQRMI-UHFFFAOYSA-N 468.262 5.457 50 10 JKGE CCC[C@H](NC(=O)C[C@H](c1ccccc1)c1ccc(F)c(F)c1)C(=O)Nc1ccc(SC#N)cc1 1867116245 ACIJCYVZUZCQOA-RDGATRHJSA-N 493.579 5.984 50 10 JKGE Cc1ccc(CC(=O)N[C@@H](C(=O)Nc2ccc(SC#N)cc2)c2ccccc2)cc1Br 1867229875 DBFARFWDWTYYBZ-HSZRJFAPSA-N 494.414 5.369 50 10 JKGE N#C/C(=C\c1ccccc1OCc1ccc(Cl)cc1Cl)c1cc2c(cc1[N+](=O)[O-])OCCO2 1872728881 YTQXROXJBUPNGH-RQZCQDPDSA-N 483.307 6.316 50 10 JKGE N#C/C(=C(/O)c1ccc(N2C(=O)c3ccccc3C2=O)cc1)c1nc(-c2ccc(F)cc2)cs1 1872752058 LAFDIRXEENKPTQ-LNVKXUELSA-N 467.481 5.700 50 10 JKGE CCOc1cc(/C=C(\C#N)c2nc(-c3ccc(OC)cc3)cs2)ccc1OCC(=O)N(CC)CC 1872784149 FWIDLPRGADNHMQ-KGENOOAVSA-N 491.613 5.529 50 10 JKGE CCOc1ccc(/C=C/C(O)=C(\C#N)c2nc(-c3ccc4ccccc4c3)cs2)cc1OC 1873940764 GLUKAMIFDPFVCO-QOJMKNSZSA-N 454.551 6.877 50 10 JKGE CC(C)C1(COc2c(Br)cc(CBr)cc2Br)CCC1 1876733610 AMXWWXVDECTQFU-UHFFFAOYSA-N 455.028 6.312 50 10 JKGE BrCc1cc(Br)c(OC[C@]23CCCC[C@H]2C3)c(Br)c1 1880373391 APTYPRIQWZTNKX-XHDPSFHLSA-N 453.012 6.066 50 10 JKGE CCc1sc(Br)cc1[C@H](Br)c1c(C)nsc1Br 1912940950 BJKWVPDWUVDLOK-JTQLQIEISA-N 460.054 6.085 50 10 JKGE C[C@H](CCBr)N(Cc1ccccc1)C(=O)c1ccccc1OCc1ccccc1 1915090005 GORGFZCXBPSCFZ-HXUWFJFHSA-N 452.392 6.082 50 10 JKGE COc1ccc(CN(Cc2ccccc2)[C@@H](CBr)C2CC2)cc1Br 1915217550 QSUGACGAFHCOQY-IBGZPJMESA-N 453.218 5.633 50 10 JKGE CN(C[C@@H](Br)COCc1ccccc1)C(=O)c1ccc(Cl)cc1C(F)(F)F 1916369039 JQNZWVBBHMZEJC-CQSZACIVSA-N 464.709 5.411 50 10 JKGE Cc1c(Br)sc([C@@H](Br)CC(C)(C)C(F)(F)F)c1Br 1922932838 PMKMRZQCUGSOCE-LURJTMIESA-N 472.990 6.996 50 10 JKGE C[C@@H]1O[C@H](C)C[C@@H]1[C@H](Br)c1c(Br)sc(Br)c1Cl 1923062847 SXYGKKXLHDGVOM-LKXGYXEUSA-N 467.448 6.176 50 10 JKGE COc1ccc([C@@H](Br)c2c(Br)sc(Br)c2Cl)cc1F 1923068017 LSBAXSJYKJPXRS-SECBINFHSA-N 493.417 6.559 50 10 JKGE Clc1sc([C@@H](Br)c2csnc2Br)cc1Br 1925226438 UOOVBYINYLOOKI-LURJTMIESA-N 452.418 5.867 50 10 JKGE C[C@@H]1CN(c2cc(Br)cc(F)c2CBr)CCN1Cc1ccccc1 2004046285 WQKRSUXMTPWHMJ-CQSZACIVSA-N 456.197 5.194 50 10 JKGE CC[C@@H](C)N(Cc1ccccc1)S(=O)(=O)c1ccc(CBr)cc1Br 2009658545 QIDYRMKNFKMNQL-CQSZACIVSA-N 475.246 5.333 50 10 JKGE Clc1cccc(Br)c1[C@@H](Br)c1c(Cl)sc(Cl)c1Cl 2050317796 FUSNYFXNRDWHHU-MRVPVSSYSA-N 469.840 7.609 50 10 JKGE Cc1cc(Br)c(C)c([C@@H](Br)c2ccsc2C)c1Br 2081060865 NXWVPNUBRBGCER-AWEZNQCLSA-N 453.037 6.683 50 10 JKGE Cn1ncc(Br)c1COc1c(Br)cc(Cl)cc1CBr 2087324603 ANXZNKDQFJICEC-UHFFFAOYSA-N 473.390 5.072 50 10 JKGE Brc1ccc(Br)c([C@H](Br)[C@]23CCCC[C@H]2OCC3)c1 2092627901 SQDPJFTZTNWMGV-ILXRZTDVSA-N 453.012 5.997 50 10 JKGE O=C(NC[C@@H]1CCC[C@H](CBr)C1)c1csc(Br)c1Br 2093946564 CTSZTIRSBBEFKY-DTWKUNHWSA-N 474.056 5.204 50 10 JKGE O=C(c1cc(Br)c(Br)s1)N1[C@H]2CCC[C@@H](Br)[C@H]1CC2 2097810598 CWIASLCEJLLMEP-QXFUBDJGSA-N 472.040 5.194 50 10 JKGE Fc1c(C[C@@H](Br)c2ccc(Br)cc2)ccc(Br)c1Cl 2113492298 ZGPKRECLKWTHTC-GFCCVEGCSA-N 471.389 6.683 50 10 JKGE Cc1cc(Br)c([C@H](Br)[C@@H]2CC23CC(F)(F)C3)cc1Br 2132886766 BBHWHOZKDVDSEW-CABZTGNLSA-N 458.966 6.391 50 10 JKGE Cc1cc(Br)c(C)c([C@H](Br)[C@@H]2CCCC[C@H]2C)c1Br 2136372383 YCUPRAVYLKDKLI-VYROHLMNSA-N 453.056 7.091 50 10 JKGE Cc1cc(Br)c(C)c([C@@H](Br)[C@@H]2CCCC2(C)C)c1Br 2136381109 YDTHOZSEVJNCJN-NHYWBVRUSA-N 453.056 7.091 50 10 JKGE Cc1cc(Br)c(C)c([C@H](Br)[C@@]23CCOC[C@H]2C3)c1Br 2136383587 ZGXAKAMKOQBXHQ-WKPIXPDZSA-N 453.012 5.691 50 10 JKGE CC(C)(C)OC(=O)N1CCC(CI)(O[C@@H]2CCC[C@H]3CCCC[C@@H]32)CC1 2136421564 FWIXOVFYRVQJHU-FGTMMUONSA-N 477.427 5.567 50 10 JKGE Cc1cc(Cl)c([C@@H](Br)c2cc(Br)cc(Br)c2)cc1Cl 2136694420 OYULHGLXYLOCIM-AWEZNQCLSA-N 487.844 7.311 50 10 JKGE Cc1cc(F)c(Cl)cc1[C@@H](Br)c1cccc(F)c1I 2137049384 RJAUKTABLTZWHN-ZDUSSCGKSA-N 457.483 6.016 50 10 JKGE Cc1c(Br)ccc([C@H](Br)C[C@H]2C[C@H]2C(F)(F)F)c1Br 2138851682 LIQIGTVFYAHXIN-BCMRRPTOSA-N 464.945 6.545 50 10 JKGE C[C@H]1CCC[C@](CBr)(Cc2ccc(I)c(Cl)c2)CC1 2142941268 USNJPBZLPAVYRX-BLLLJJGKSA-N 455.605 6.469 50 10 JKGE ClCc1nc2cc(Br)c(Cl)cc2n1[C@@H]1CCOC[C@H]1OCc1ccccc1 2159868108 ZUHGYWRQPJEGAC-IEBWSBKVSA-N 470.194 5.738 50 10 JKGE COc1cc(Cl)c([C@@H](Br)c2c(Cl)cccc2Br)cc1Cl 2169467087 YYVVGGNMKFLUJB-CQSZACIVSA-N 459.392 6.902 50 10 JKGE CCCOc1ccc([C@H](Cl)c2cc(Br)c(Cl)s2)cc1Br 2172570040 STRMHMMIMABDTM-ZDUSSCGKSA-N 459.030 7.044 50 10 JKGE O=C(NCC[C@H]1CCCC[C@@H]1Br)c1cc(Br)ccc1Br 2179637106 RTVWEJIBDLDXRR-MFKMUULPSA-N 468.027 5.285 50 10 JKGE CCCc1nnc(COc2c(Br)cc(Br)cc2CBr)s1 2186509103 RGJWVKPJAZNEOI-UHFFFAOYSA-N 485.039 5.490 50 10 JKGE Cc1cc(Br)c(CBr)c(N(C)[C@@H]2C[C@@H]3C[C@H](OCc4ccccc4)C[C@H]32)c1 2190536162 CLHHHRKRJGVUIY-PABYOWBDSA-N 493.283 6.473 50 10 JKGE FC(F)[C@H]1CN(Cc2ccccc2)C[C@H]1n1c(CCl)nc2ccc(Br)cc21 2193245513 QSHCIYQAXHRFBU-MAUKXSAKSA-N 454.746 5.476 50 10 JKGE COc1cc(C)c([C@@H](Cl)c2cc(I)ccc2F)cc1Br 2198728641 ZVVQJWOAEAQNHU-OAHLLOKOSA-N 469.519 5.838 50 10 JKGE Cc1cc(Cl)c(Br)cc1[C@@H](Br)c1ccsc1S(C)(=O)=O 2202366696 UPRDNKRQCHYWQQ-LBPRGKRZSA-N 458.624 5.360 50 10 JKGE C[C@H](CCBr)N(Cc1ccccc1)C[C@H]1CC1(Br)Br 2208983833 LHQTVXSKICGZAG-TZMCWYRMSA-N 454.044 5.168 50 10 JKGE C[C@@H]1CCC[C@@H]([C@H](Br)c2c(Br)sc(Br)c2Cl)O1 2214323090 DWQTURCLNGORFX-CHKWXVPMSA-N 467.448 6.320 50 10 JKGE Cc1cc(Br)c([C@@H](Br)c2cnn(C)c2Br)c(C)c1Cl 2224324443 VJDMJJULYZDFLK-NSHDSACASA-N 471.418 5.700 50 10 JKGE BrCCC[C@H]1CCCN(Cc2c(Br)cccc2Br)C1 2225809132 VCXXNROYURGEMI-LBPRGKRZSA-N 454.044 5.599 50 10 JKGE Cc1cc(Br)c([C@H](Br)[C@@]2(C)CCCOC2)c(C)c1Br 2227356628 RWWWESYMKLBNPH-GJZGRUSLSA-N 455.028 6.081 50 10 JKGE Cc1cc(Br)c([C@@H](Br)[C@]23C[C@](C)(CO2)C3)c(C)c1Br 2227359147 FQDUNMDUCVMHTK-KFWWJZLASA-N 453.012 5.834 50 10 JKGE CCc1cscc1[C@@H](Br)c1c(Br)cc(C)c(Br)c1C 2227367647 ITQIUVMEYIVJMK-OAHLLOKOSA-N 467.064 6.937 50 10 JKGE COc1cc(Br)c([C@@H](Br)c2cccc(I)c2)cc1C 2227715216 ZANLARZBUREMLE-HNNXBMFYSA-N 495.980 5.855 50 10 JKGE Cc1cc(Br)c([C@@H](Br)C(F)(F)[C@@H]2CCOC2)c(C)c1Br 2235610946 ULKXZQFMDDZFJF-NOZJJQNGSA-N 476.981 5.936 50 10 JKGE COc1cc(Br)c([C@@H](Cl)c2c(Br)cccc2Br)cc1C 2236008221 AJYYDRUUVHAEAN-OAHLLOKOSA-N 483.425 6.619 50 10 JKGE Cc1sc([C@H](Cl)c2scc(C(F)(F)F)c2Br)c(Br)c1C 2237630759 ZVPCPYHFZXXXIK-SECBINFHSA-N 468.585 7.298 50 10 JKGE CCc1cc([C@H](Br)c2scc(Br)c2Cl)sc1Br 2248004306 JFNFQFYGQUKACB-QMMMGPOBSA-N 479.484 7.035 50 10 JKGE FC1(F)C[C@H]([C@@H](Br)c2cc(Br)sc2Br)C12CCC2 2254867381 PINAKTHDIMGVOH-APPZFPTMSA-N 464.995 6.535 50 10 JKGE Brc1coc([C@@H](Br)c2csc3c(Br)cccc23)c1 2258147558 INWGDOJZXAWMRN-LBPRGKRZSA-N 450.977 6.504 50 10 JKGE CC(C)(C)OC(=O)N1CCC[C@@](CI)(OCC[C@@H]2CCCCC23CC3)C1 2264858738 DRVDPZSUISLVCQ-UWJYYQICSA-N 477.427 5.568 50 10 JKGE C[C@H](CCCCCI)NC(=O)c1cccc(Cl)c1Br 2267938414 AEPVUKMDYGEZQP-SNVBAGLBSA-N 458.565 5.216 50 10 JKGE COc1ccc(F)cc1[C@@H](Br)c1ccc(Cl)c(I)c1 2268284562 SUDZCUYIZTXRHO-AWEZNQCLSA-N 455.492 5.577 50 10 JKGE Fc1ccc(Cl)cc1[C@H](Br)c1c(F)cc(Br)c(F)c1Br 2288349117 MMCRBGVINGMGBG-NSHDSACASA-N 493.342 6.767 50 10 JKGE COc1ccc([C@@H](Br)c2cc3sc(Br)cc3s2)cc1Br 2295400339 DLEPSZIBTSIMKJ-CQSZACIVSA-N 497.071 6.981 50 10 JKGE Brc1cc(OCc2ccccc2)ccc1[C@H](Br)[C@H]1CC[C@@H]2C[C@@H]2C1 2299536171 WZPIXJDMMSXCQK-KYFSNAEOSA-N 450.214 6.900 50 10 JKGE Brc1cc(OCc2ccccc2)ccc1[C@H](Br)C1[C@@H]2[C@H]3CC[C@@H](C3)[C@@H]12 2314448298 GROLRTZIIODTPC-RWWAEHCESA-N 462.225 6.756 50 10 JKGE Cn1nc([C@@H](Cl)c2cc(Br)ccc2OCc2ccccc2)c(Cl)c1Cl 2314456181 UYKXTWULQXLCMD-HNNXBMFYSA-N 460.586 6.397 50 10 JKGE CC[C@@]1(C)[C@H](Br)CCN1C(=O)c1cc(Br)c(Br)s1 2315152415 RJIFSXWLPRKMFA-SKDRFNHKSA-N 460.029 5.051 50 10 JKGE Fc1c(Br)cc(Cl)c([C@H](Br)[C@]23COC[C@@H]2C3)c1Br 2315440301 QZKISIAIFTXRPG-LVRCTXOYSA-N 463.366 5.477 50 10 JKGE Brc1cc(Br)cc(CO[C@H]2CCCCC[C@H]2I)c1 2315459046 SZEJKFDJWJWOFP-KGLIPLIRSA-N 488.001 5.865 50 10 JKGE Clc1cc(I)c([C@@H](Br)[C@@H]2C[C@H]3COC[C@H](C3)C2)s1 2316597678 VDKIKVNDDVFHEX-HAYRHPOISA-N 461.590 5.505 50 10 JKGE CC[C@@H](c1ccccc1)[C@H](Br)c1sc(Cl)cc1I 2316598352 BVJSBXCDSJCUFP-GWCFXTLKSA-N 455.586 6.636 50 10 JKGE COCc1ccc([C@@H](Br)c2c(Cl)sc(Br)c2Cl)s1 2319548076 JACZGYLJWTVODF-MRVPVSSYSA-N 451.032 6.510 50 10 JKGE CC[C@H](NC(=O)C(C#N)=CNCCc1ccc(Br)cc1)c1ccc2c(c1)CCCC2 2325092759 HLEAUWFNVWORFB-DEOSSOPVSA-N 466.423 5.135 50 10 JKGE Cn1c(C(C#N)=Cc2ccc(-n3nc(-c4ccccc4)cc3-c3ccccc3)cc2)nc2ccccc21 2331019800 ZUNUJDKMCWRFIR-UHFFFAOYSA-N 477.571 7.157 50 10 JKGE N#CC(=C(O)c1cc(C(F)(F)F)cc(C(F)(F)F)c1)c1nc(-c2ccccc2Cl)cs1 2331266760 GDIPPEPMKMXFAA-UHFFFAOYSA-N 474.813 7.451 50 10 JKGE CC(C)(C)c1ccc(C(=O)NCC(O)=C(C#N)c2nc(-c3c[nH]c4ccccc34)cs2)cc1 2331347022 XDTBAUHKOLAACO-UHFFFAOYSA-N 456.571 5.812 50 10 JKGE COc1cccc(OC)c1C(O)=C(C#N)c1nc(-c2ccc(Oc3ccccc3)cc2)cs1 2331358862 WLBZWVPPOQQVBO-UHFFFAOYSA-N 456.523 6.569 50 10 JKGE COc1c(Cl)cc(Cl)cc1-c1csc(C(C#N)=C(O)c2ccc(Cl)c(Cl)c2)n1 2331362549 XZHRZZMDTLGPDO-UHFFFAOYSA-N 472.180 7.382 50 10 JKGE Cc1ccc(C)c(-c2csc(C(C#N)=Cc3ccc(OCc4ccccc4Cl)cc3)n2)c1 2331445728 GUIJUTOFKCIRBL-UHFFFAOYSA-N 456.998 7.724 50 10 JKGE COc1cc(C=C(C#N)c2nc(C(C)C)cs2)ccc1OCc1c(Cl)cccc1Cl 2331450888 OCUZRCUYXFMDNI-UHFFFAOYSA-N 459.398 7.225 50 10 JKGE Fc1cc(Br)c(F)c(Br)c1[C@@H](Br)[C@H]1C[C@@H]2C[C@@H]2CO1 2334719863 LGGNAJMJLXRCER-QUYDWZKXSA-N 460.938 5.351 50 10 JKGE C[C@@H]1OCCO[C@H]1[C@H](Br)c1c(Cl)cc(Br)c(F)c1Br 2337082213 JADDQOITQKCHFC-KGJILKGTSA-N 481.381 5.244 50 10 JKGE Cc1cc(C)c([C@H](Br)c2c(Br)ncn2C)c(C)c1Br 2337328914 WLZFIWACCRIBGT-LBPRGKRZSA-N 451.000 5.355 50 10 JKGE COc1ccc(C[C@H](Cl)c2sc(Br)cc2Br)c(Br)c1 2338890408 USDYTMUBWGCRDN-NSHDSACASA-N 489.454 6.567 50 10 JKGE Cc1cc(Br)c(F)c(Br)c1[C@H](Br)[C@@]12CCCC[C@@H]1C2 2339652084 VTILTZBBRRTJCU-TURNYIBQSA-N 455.003 6.675 50 10 JKGE Cl[C@@H]1C[C@@H](OCc2cc(I)ccc2Br)C12CCCC2 2341835562 AACROJFULXDSBZ-ZIAGYGMSSA-N 455.561 5.510 50 10 JKGE COC(C)(C)C1([C@H](Br)c2cc(Br)c(Br)cc2F)CC1 2343532318 MKEZVROOYBRQIS-GFCCVEGCSA-N 458.991 5.992 50 10 JKGE CC(C)c1nc(Br)c(Br)n1C[C@](C)(CBr)C(C)(C)C 2352100500 TZSYCANZEWXISJ-AWEZNQCLSA-N 459.064 5.979 50 10 JKGE O=C(c1scc(Br)c1Br)N1C[C@H]2CCC[C@](CBr)(C2)C1 2357623816 HXPVAHIUNOMFFH-LKFCYVNXSA-N 486.067 5.300 50 10 JKGE Fc1ccc([C@@H](Cl)c2c(F)cc(Cl)c(Br)c2Cl)c(Br)c1 2360492479 HPMFANGVFAAGBX-GFCCVEGCSA-N 465.346 7.125 50 10 JKGE CC(C)c1nnsc1COc1c(Br)cc(CBr)cc1Br 2361119411 CXXWHEKRINQVFC-UHFFFAOYSA-N 485.039 5.660 50 10 JKGE Fc1c(Br)cc(Cl)c([C@H](Br)[C@@]23COC[C@H]2C3(F)F)c1Br 2362227588 HBTBIEZQZRSCAK-LIEZGIJOSA-N 499.346 5.722 50 10 JKGE Fc1c(Br)cc(Cl)c([C@@H](Br)[C@@H]2[C@H]3CCCCC[C@H]32)c1Br 2362236633 PUKYZBASKDLLEL-XNEIYDBYSA-N 489.448 7.266 50 10 JKGE CCCC[C@H](CC)[C@@H](Br)c1c(C)cc(Br)c(OC)c1Br 2365189851 ZADSAWJARPHMPF-SMDDNHRTSA-N 471.071 7.181 50 10 JKGE BrC[C@H](COCc1c(Br)cccc1Br)c1ccccc1 2366163840 QKAJKKFPFMYZSZ-CYBMUJFWSA-N 463.007 5.907 50 10 JKGE COc1c(CBr)cccc1OCc1ccc(Cl)cc1I 2367216704 FSTQPYURNORWGF-UHFFFAOYSA-N 467.528 5.427 50 10 JKGE CC(=O)C1=C(C)NC(SCC(=O)c2ccc(F)cc2)=C(C#N)[C@H]1c1ccc(Br)cc1 1199342 DYKBKBQZLZMXFI-JOCHJYFZSA-N 485.378 5.489 50 10 JKGE O=C(NN=Cc1ccc(OCc2ccccc2Cl)cc1)[C@H]1COc2cc3ccccc3cc2O1 8384728 MZZROXKTZQKUMX-AREMUKBSSA-N 472.928 5.362 50 10 JKGE CCc1ccc([C@H]2C(C#N)=C(N)N(c3cccc(Cl)c3)C3=C2C(=O)C[C@H](c2ccccc2)C3)s1 9981591 WDINAACLTSBIRY-WXTAPIANSA-N 486.040 6.662 50 10 JKGE Cc1cccc([C@H]2C(C#N)=C(N)OC3=C2S(=O)(=O)N(Cc2ccc(Cl)cc2)c2ccccc23)c1 20132085 RJGKEYWEAQJQRF-QHCPKHFHSA-N 489.984 5.175 50 10 JKGE CCOc1cc(C(=O)Oc2ccc(/C=C(/C#N)c3ccccc3OC)cc2)cc(OCC)c1OCC 31900671 PYFVRUJNKYJSAY-JWGURIENSA-N 487.552 6.175 50 10 JKGE COc1cc(/C=C(/C#N)S(=O)(=O)c2ccc(C)cc2)ccc1OCc1ccc(Cl)cc1 33280594 WZPCQORBXHIMAM-XKZIYDEJSA-N 453.947 5.574 50 10 JKGE CCOc1ccc([C@H]2CC(c3ccccc3)=NN2c2ccc(/C=N/NC(=O)c3ccncc3)cc2)cc1 34864515 VJLGECCEYYZFGA-PUFQGMHOSA-N 489.579 5.600 50 10 JKGE Cc1cccc(NC(=O)/C(C#N)=C\c2cc(Cl)cc(Cl)c2OCCOc2cc(C)cc(C)c2)c1 34864903 RIFHKOCBZODZPC-BKUYFWCQSA-N 495.406 6.922 50 10 JKGE Cc1ccc(OCC(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@@H]3c2ccc(C(C)C)cc2)cc1 38649407 XXZALYGZLHEYLS-HHHXNRCGSA-N 454.526 5.321 50 10 JKGE Cc1cccc(OCC(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@H]3c2ccc(Cl)cc2Cl)c1 38655340 DKDKFODYKUMPBT-DEOSSOPVSA-N 481.335 5.504 50 10 JKGE COc1ccc(NC(=O)/C(C#N)=C/c2cccc(OCc3ccc(Cl)cc3Cl)c2)cc1 40007317 JILSPDNELXFCQZ-WOJGMQOQSA-N 453.325 6.127 50 10 JKGE Cc1c(C(=O)Oc2cccc3ccccc23)oc2c1/C(=N/NC(=O)c1ccc3ccccc3n1)CCC2 40825914 XRGDKOSGSAJLSU-AWSUPERCSA-N 489.531 5.979 50 10 JKGE CC(C)(C)c1ccc(OCC(=O)N/N=C/c2cc(Br)ccc2OCc2ccccc2)cc1 40912342 ZAJJFGMEDCUZQX-LQKURTRISA-N 495.417 5.855 50 10 JKGE COc1cc(/C=N/NC(=O)[C@H](C)Oc2ccc(-c3ccccc3)cc2)ccc1OCCc1ccccc1 40959700 WVDMPGBLFKNTMI-JZRQUBEPSA-N 494.591 5.901 50 10 JKGE O=C(N/N=C/c1cc(/N=N/c2ccccc2)ccc1O)c1cc2cc(Br)ccc2o1 59303891 XYLVVJOWILQWGK-ZXSYOUNQSA-N 463.291 6.080 50 10 JKGE CCOc1cc(/C=C(/C#N)C(=O)Nc2ccccc2)cc(Cl)c1OC(=O)c1ccc(OC)cc1 96502067 LJITYVOIRQGPHG-UYRXBGFRSA-N 476.916 5.512 50 10 JKGE c1ccc(P(c2ccccc2)[C@H]2[C@H]3CC[C@@H](C3)[C@@H]2P(c2ccccc2)c2ccccc2)cc1 100060093 LBNIIIAVAIZHKJ-FRGOEROOSA-N 464.529 6.419 50 10 JKGE CCCCOC(=O)c1ccc(NC(=O)/C(C#N)=C\c2ccc(-c3cc(Cl)ccc3Cl)o2)cc1 102956896 RPHJVQLCXOTRTP-LGMDPLHJSA-N 483.351 6.756 50 10 JKGE Fc1cccc(C(CBr)(CBr)Cc2cc(Cl)ccc2Cl)c1 118877732 RHVAUKDNXOYITF-UHFFFAOYSA-N 454.992 6.403 50 10 JKGE ClCCc1nc2cc(I)ccc2n1Cc1sccc1Br 148421968 ZUDPIJCDDAXNMI-UHFFFAOYSA-N 481.584 5.295 50 10 JKGE CC(C)CCC[C@H](C)[C@H]1CC[C@H]2[C@@H]3CC=C4C[C@@H](O[Si](C)(C)C)CC[C@]4(C)[C@H]3CC[C@@]21C 195752937 CBVJJGRSRFXUPK-AGBLQDLRSA-N 458.847 9.248 50 10 JKGE CCOc1cc(/C=C(/C#N)C(=O)Nc2ccc(Cl)cc2Cl)ccc1I 207329894 JWMROWFLKSLMQY-GHXNOFRVSA-N 487.124 5.542 50 10 JKGE Cc1cc(Br)c([C@@H](Cl)c2cccc(Br)c2Cl)cc1Br 228454182 FYZVZJZZQTYGNH-ZDUSSCGKSA-N 487.844 7.264 50 10 JKGE Brc1ccc(I)c([C@H](Br)c2cccs2)c1 232483811 VNESQBOYZGJJEP-NSHDSACASA-N 457.956 5.600 50 10 JKGE COc1ccc(/C=C(/NC(=O)c2ccccc2)C(=O)NN=C(C)/C=C/C=C\c2ccccc2)cc1OC 254289161 FTDHOBOWEDRCEE-ZBQMPSCTSA-N 495.579 5.236 50 10 JKGE CCC(=NNC(=O)c1cc(-c2ccc(CC)cc2)nc2c(Cl)cccc12)c1cccc(Cl)c1 254442095 ZYKDENQRIUIAKG-UHFFFAOYSA-N 476.407 7.315 50 10 JKGE CCn1c(SCC(=O)NN=Cc2cc(C(C)(C)C)c(C)c(C(C)(C)C)c2)nc2ccccc21 254488517 WLCRTAONKFKYFU-UHFFFAOYSA-N 464.679 6.202 50 10 JKGE CCOc1ccc(S(=O)(=O)Nc2ccc(C(=O)NN=C(C)c3ccc4ccccc4c3)cc2)cc1 254493769 QCNQLPHHFUSMQS-UHFFFAOYSA-N 487.581 5.193 50 10 JKGE CN(C(=O)[C@@]12CC[C@@](C(Br)Br)([C@@H]1Br)C2(C)C)c1ccccc1 256022846 ZBSQGBBGQIHAIA-AFAVFJNCSA-N 494.065 5.335 50 10 JKGE Fc1cc2c(cc1I)nc(CCl)n2C1CCN(Cc2ccccc2)CC1 305088801 RQPBOYJHQKUBPA-UHFFFAOYSA-N 483.756 5.356 50 10 JKGE BrCc1c(I)sc2c(I)cccc12 306709533 UXOPHHHHIYOXCI-UHFFFAOYSA-N 478.918 5.005 50 10 JKGE CC(C)(C)[Si](C)(C)OCCN1CCCCC[C@H]1c1ccccc1CO[Si](C)(C)C(C)(C)C 616624689 GGJNJLFUELLCLO-VWLOTQADSA-N 477.882 8.147 50 10 JKGE CC1(C)COc2c([C@@H](Br)c3occc3Br)cc(Br)cc21 688192756 IWIIHEAVPANJBT-GFCCVEGCSA-N 464.979 5.959 50 10 JKGE C[C@@H](CCn1c([C@@H](C)Cl)nc2ccc(F)c(Br)c21)N(C)Cc1ccccc1 689774454 MFCMWHABXNXZAM-LSDHHAIUSA-N 452.799 6.148 50 10 JKGE C[C@H](CBr)[C@@H]1CCCCN1Cc1cc(Cl)ccc1I 696740284 VQLGNRXXUSVZNQ-ABAIWWIYSA-N 456.593 5.330 50 10 JKGE Cc1cccc([C@@H](Br)c2sc(C)c(Br)c2C)c1Br 724928869 SKGJMIYNNWMIBN-CYBMUJFWSA-N 453.037 6.683 50 10 JKGE CC(=O)Nc1ccc(C(C)=NNC(=O)c2ccc(CSc3ccc(Cl)cc3)cc2)cc1 1083986001 BZOPXSKCXYXTKV-UHFFFAOYSA-N 451.979 5.745 50 10 JKGE C[C@@]12CC[C@@H]3c4ccc(O)cc4CC[C@@H]3[C@@H]1CCC2=NNC(=O)C(O)(c1ccccc1)c1ccccc1 1084320330 MYCPNYBYHGFOKA-WCUAIIBCSA-N 494.635 5.657 50 10 JKGE C=CCc1cc(C=NNC(=O)c2cc3ccccc3o2)cc(OC)c1OCc1ccc2c(c1)OCO2 1084328587 ZQELCSVGWXOEFK-UHFFFAOYSA-N 484.508 5.242 50 10 JKGE Cc1cc(C=NNC(=O)CSc2ccc(Cl)cc2)c(C)n1-c1cccc(Cl)c1Cl 1084356927 BHYULCFCPQXONR-UHFFFAOYSA-N 466.821 6.297 50 10 JKGE COc1cccc(C(CSc2nc3ccccc3[nH]2)=NNC(=O)c2ccccc2Cl)c1 1084548796 NILMRIGRJBOLAA-UHFFFAOYSA-N 450.951 5.151 50 10 JKGE 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 1085230505 XDHSPKUJYNEBHS-DZTNZKLLSA-N 481.471 5.308 50 10 JKGE CC(C)(C)OC(=O)N1C[C@@H](CI)[C@H](c2ccc(C(F)(F)F)cc2F)C1 1614627464 LTNQZVSUTASUSH-ZWNOBZJWSA-N 473.248 5.230 50 10 JKGE O=C(OCc1ccccc1)N1C[C@H](c2cc(Br)cc([N+](=O)[O-])c2)[C@@H](CBr)C1 1614643193 SAHUIHABZUVSOK-MAUKXSAKSA-N 498.171 5.104 50 10 JKGE COc1ccc(NC(=O)[C@@H](C)Oc2cccnc2NC(=O)Nc2ccc(SC#N)cc2)cc1Cl 1858846375 JLQPVAOYTVBION-CQSZACIVSA-N 497.964 5.367 50 10 JKGE CCCc1nn(Cc2c(F)cccc2Cl)c2c1[C@H](c1ccc(C(C)C)cc1)C(C#N)=C(N)O2 1865684935 BWKJWUYFQJRXJV-HSZRJFAPSA-N 464.972 6.018 50 10 JKGE N#CC1=C(N)Oc2c(c(C(F)(F)F)nn2-c2ccccc2Cl)[C@H]1c1c(F)cccc1Cl 1865685116 FTHRORDCNOQKFG-CQSZACIVSA-N 469.225 5.555 50 10 JKGE N#CC1=C(N)Oc2c(c(C(F)(F)F)nn2-c2ccc(Cl)cc2)[C@H]1c1c[nH]c2ccccc12 1865700125 LJVWWYBBHKJAGQ-QGZVFWFLSA-N 455.827 5.244 50 10 JKGE CCn1nc(C)c2c1OC(N)=C(C#N)[C@@H]2c1ccc(OCc2ccc(Cl)cc2Cl)cc1 1865701114 MIATUGYTNUOUIL-NRFANRHFSA-N 455.345 5.315 50 10 JKGE CCCc1nn(Cc2c(F)cccc2Cl)c2c1[C@@H](c1ccccc1OC(C)C)C(C#N)=C(N)O2 1865704673 BKFUPJUOWMNIIO-QHCPKHFHSA-N 480.971 5.682 50 10 JKGE CCN(CC)c1ccc(/C=N\NC(=O)c2ccc(-c3ccc(Cl)c(Cl)c3)nc2C)cc1 1865762660 VHTFGALDIVHKQG-DICXZTSXSA-N 455.389 5.974 50 10 JKGE N#C/C(=C\c1ccc(Br)cc1)C(=O)Nc1nc(-c2ccc(Br)cc2)cs1 1866129404 RJUHCRKWFPVWQL-NTEUORMPSA-N 489.192 5.881 50 10 JKGE CCCC[C@@H](NC(=O)Cc1nc(-c2cccc(C)c2)oc1C)C(=O)Nc1ccc(SC#N)cc1 1866650652 UEGYKGGPKCWLMM-JOCHJYFZSA-N 476.602 5.388 50 10 JKGE CCCC[C@@H](NC(=O)[C@H](c1ccc(Cl)c(Cl)c1)C(C)C)C(=O)Nc1ccc(SC#N)cc1 1866990872 KQBZIOJUAHQCOV-YADHBBJMSA-N 492.472 6.620 50 10 JKGE COc1cc2nc(/C(C#N)=C/c3cccc(OC)c3OCc3ccccc3)nc(O)c2cc1OC 1872727766 YRDGQLIYJIGATK-XDHOZWIPSA-N 469.497 5.004 50 10 JKGE COc1cccc(-c2csc(/C(C#N)=C(\O)c3ccc4c(c3)C(=O)N(Cc3ccco3)C4=O)n2)c1 1872744335 NIVBBJANXZXMGU-LNVKXUELSA-N 483.505 5.158 50 10 JKGE COc1ccc(C(C)(C)C)cc1-c1csc(/C(C#N)=C(\O)[C@H](C)Oc2ccc(Cl)cc2)n1 1872751318 BMYQFNUFECAXHM-DCBSDEPNSA-N 469.006 7.030 50 10 JKGE N#C/C(=C(/O)c1ccc(Cl)c([N+](=O)[O-])c1)c1nc(-c2ccc(Oc3ccccc3)cc2)cs1 1872753600 FQAJBMIMAUROOF-NMWGTECJSA-N 475.913 7.114 50 10 JKGE COc1c(C)cc(Cl)cc1-c1csc(/C(C#N)=C(\O)c2ccccc2Br)n1 1872757148 SFZZGINVEFTUGD-SDXDJHTJSA-N 461.768 6.493 50 10 JKGE CC[C@@H](C)N1C(=O)c2ccc(/C(O)=C(\C#N)c3nc(-c4ccc(Cl)s4)cs3)cc2C1=O 1872758284 TYGIXRJNXYETPV-QNPMFDGYSA-N 469.975 5.869 50 10 JKGE CCCCOc1ccc(/C=C(\C#N)c2nc(-c3cc(OC)c(Cl)cc3OC)cs2)cc1OC 1872793842 WUFWEOPCIMSTKP-LICLKQGHSA-N 485.005 6.732 50 10 JKGE COc1cc(/C=C(\C#N)c2nc(-c3ccc(Cl)s3)cs2)ccc1OCCN1CCOCC1 1872794423 AMTXMCCGLRJCEQ-SFQUDFHCSA-N 488.034 5.309 50 10 JKGE N#C/C(=C\c1ccccc1)C(=O)N1CC[C@@H](c2ccc(F)cc2)[C@@H](COc2ccc3c(c2)OCO3)C1 1873789320 KDEKSZQMVPOIOG-VMWVSYMQSA-N 484.527 5.173 50 10 JKGE C[C@@H]1C[C@@H](n2c(CCCl)nc3c(Br)cc(F)cc32)CN1Cc1ccccc1 1912653595 MTLMZKTYVYIEEA-RHSMWYFYSA-N 450.783 5.555 50 10 JKGE COc1ccc(CN(Cc2ccccc2)[C@@H](CBr)C(C)C)cc1Br 1915272372 XEZZSHPQQIFLPA-IBGZPJMESA-N 455.234 5.879 50 10 JKGE CN(C[C@H](Br)COCc1ccccc1)C(=O)c1cccc(Br)c1Cl 1916383065 BVEXHBGZPHRCIN-AWEZNQCLSA-N 475.608 5.155 50 10 JKGE Cc1c(Br)sc([C@H](Cl)c2cc(F)cc(Br)c2)c1Br 1922945347 FMCPVWIUGFDJAW-SNVBAGLBSA-N 477.418 6.811 50 10 JKGE CCc1cc(Br)c([C@@H](Br)c2ccccc2OCc2ccccc2)s1 1942102942 ZEYUUMDHYPIIIY-IBGZPJMESA-N 466.238 7.136 50 10 JKGE C=CCC(CBr)(CBr)Cc1ccc(Br)cc1Br 1943848098 NZAYKAKUUPKEPH-UHFFFAOYSA-N 489.871 6.106 50 10 JKGE CC(C)(C)OC(=O)N1CC(N(Cc2ccccc2)C[C@H](CBr)c2ccccc2)C1 1959575343 MKYJVRMHSPTIDY-NRFANRHFSA-N 459.428 5.287 50 10 JKGE Clc1c(Br)sc(Br)c1[C@@H](Br)C1CC2(COC2)C1 2007605615 PXXJVKKBSCKPFQ-ZETCQYMHSA-N 465.432 5.789 50 10 JKGE COc1ccc([C@@H](Br)c2ccc(Br)cc2I)s1 2026220743 HGJOJKJAMBATKN-LBPRGKRZSA-N 487.982 5.608 50 10 JKGE FC1(F)[C@H]([C@@H](Br)c2cc(Br)c(Br)s2)C12CCCC2 2036155425 LZHMKQXQADTOFE-DTWKUNHWSA-N 464.995 6.535 50 10 JKGE FC1(F)CCC([C@@H](Cl)c2c(Br)sc(Br)c2Br)CC1 2057462024 WFTVCWQNAYHDOG-MRVPVSSYSA-N 487.429 7.141 50 10 JKGE CN(C[C@H]1C[C@H](Br)C1)C(=O)c1ccc(Br)cc1NC(=O)OC(C)(C)C 2076207392 CYVNXXOHTMXLDA-AULYBMBSSA-N 476.209 5.042 50 10 JKGE Cc1cccnc1C[C@@H](Br)c1ccc(Br)cc1I 2086149676 QSFOYYAMDBRDRD-GFCCVEGCSA-N 480.969 5.436 50 10 JKGE Cc1cc(Br)c([C@H](Br)C23CC(C)(C2)O[C@H]3C)cc1Br 2100455148 PYWNWDHKUNLFGN-RCADUFJZSA-N 453.012 5.914 50 10 JKGE Cc1ccc(Br)c(CC(CBr)(CBr)C2CCCC2)n1 2112725280 UEQHINCDKPDSEX-UHFFFAOYSA-N 454.044 5.661 50 10 JKGE Cc1cc(Br)c(C)c([C@@H](Br)C[C@@H](C)C(F)(F)F)c1Br 2136367006 MYBOCKFLDGKIAH-XCBNKYQSSA-N 466.961 6.853 50 10 JKGE Cc1cc(Br)c(C)c([C@H](Br)[C@H]2COC(C)(C)C2)c1Br 2136372291 SSFAOVAUHXTZAC-QMTHXVAHSA-N 455.028 6.080 50 10 JKGE Cc1ccc(Br)cc1[C@@H](Br)c1cc(Br)c2c(c1)CCO2 2146630401 WVHMDSOMUGELKI-HNNXBMFYSA-N 460.991 5.939 50 10 JKGE CC1(C)C[C@H](Br)CCN(C(=O)c2c(Br)cccc2Br)C1 2150487630 JBFCIOVSIPZOOK-SNVBAGLBSA-N 468.027 5.237 50 10 JKGE Brc1cc([C@@H](Br)Cc2cc3ccccc3cn2)sc1Br 2151357227 RNPHVZOLOLREDU-LBPRGKRZSA-N 476.031 6.500 50 10 JKGE FC1(F)CN(Cc2ccccc2)CCCCN(c2cc(Cl)ccc2CBr)C1 2164876023 XXUOIVFHXMMHQY-UHFFFAOYSA-N 457.790 5.973 50 10 JKGE O=C(c1cccc(Br)c1Br)N1CC[C@@H](Br)CC12CCC2 2169894197 GVIZIBPBIURAOT-SNVBAGLBSA-N 466.011 5.134 50 10 JKGE O=C(c1cc(Br)c(Br)s1)N1C[C@H](CBr)C2(CCCC2)C1 2175224391 LLUYBLLUYKKBDN-VIFPVBQESA-N 486.067 5.300 50 10 JKGE CC1(C)CC[C@H](CO[C@@H](CI)c2ccc(Br)cc2)OC1 2197342892 TUPPCLXJMQSADH-CABCVRRESA-N 453.158 5.147 50 10 JKGE CC(C)(C)OC(=O)N1CCC[C@](CI)(OC[C@@H]2C[C@H]2C2CCCCCC2)C1 2200762835 UCUBPZUFSKZHHB-CNNODRBYSA-N 491.454 5.814 50 10 JKGE Clc1ccc(I)c([C@@H](Cl)Cc2ccc(Br)cc2Cl)c1 2229145675 YPMWUTJDAVRWJD-ZDUSSCGKSA-N 490.393 6.883 50 10 JKGE COc1ccc(Br)cc1[C@@H](Cl)c1cc(C)ccc1I 2232219830 KKWCJGITKDCEAE-HNNXBMFYSA-N 451.529 5.699 50 10 JKGE Fc1cc(Br)c(Br)cc1[C@H](Br)[C@H]1C[C@@H]1C1CCOCC1 2233975923 MFUPCVMNYPGBQA-HFBDOXOYSA-N 471.002 5.849 50 10 JKGE BrC[C@@H]1C[C@@H]2CCCC[C@H]2N1Cc1cc(Br)ccc1Br 2240678826 DJDLSZLHJUYRLF-HZUKXOBISA-N 466.055 5.740 50 10 JKGE Cc1cc(Br)c([C@H](Br)c2c(Cl)c(C)nn2C)c(C)c1Br 2240930104 YXBYYUAGPFPLOE-LBPRGKRZSA-N 485.445 6.008 50 10 JKGE Fc1cc(Br)c(F)c(Br)c1[C@H](Br)[C@H]1C[C@@H]1C(F)F 2260065186 HIRSTVNMQSVQCP-MSIVUJLLSA-N 454.881 5.827 50 10 JKGE Cn1nc([C@@H](Cl)Cc2cc(Br)cc(Br)c2)c(Br)c1Cl 2277960658 KHGUTBPOACZLHJ-VIFPVBQESA-N 491.836 5.884 50 10 JKGE COc1cc(Cl)c(Cl)cc1[C@@H](Br)c1c(Br)sc(C)c1C 2279045745 BQQKSYSTPLUMFE-CYBMUJFWSA-N 459.030 6.927 50 10 JKGE C[C@@H](C1CCCCC1)[C@@H](Br)c1c(F)cc(Br)c(F)c1Br 2288349629 RQKWDWWXZLKCQW-ISVAXAHUSA-N 475.009 7.142 50 10 JKGE COc1cc(C=CC(=O)Cl)cc(I)c1OCc1ccc(Cl)cc1Cl 2293941006 UGSOKKDNIAVYIY-UHFFFAOYSA-N 497.543 5.964 50 10 JKGE COc1cc(C)c(Cl)cc1[C@@H](Br)Cc1ccccc1I 2295300983 GIGBXGPWFXGIEA-ZDUSSCGKSA-N 465.556 5.940 50 10 JKGE COc1cc(OC)c([C@H](Br)c2ccccc2Br)cc1Br 2295429860 FQYAVNCTWOVKEE-OAHLLOKOSA-N 464.979 5.713 50 10 JKGE N#CC(=CNc1ccc2c(C(F)(F)F)cc(=O)oc2c1)c1nc(-c2cccc([N+](=O)[O-])c2)cs1 2295948606 VCJAQHAWVJPJRW-UHFFFAOYSA-N 484.415 5.820 50 10 JKGE COc1cc(NC=C(C#N)c2nc(-c3ccc(Br)cc3)cs2)c(C)cc1[N+](=O)[O-] 2296024804 HGTCTAMWWAFGPO-UHFFFAOYSA-N 471.336 5.774 50 10 JKGE CCCOc1ccc(C=C(NC(=O)c2ccccc2)C(=O)NN=C(C)c2ccc3ccccc3c2)cc1 2296734935 CONTTYJYNALHKE-UHFFFAOYSA-N 491.591 5.940 50 10 JKGE N#CC(=Cc1ccc(-c2ccc(Br)cc2)o1)C(=O)Nc1ccc(Br)cc1 2297209542 IIBQBMOAHRVCGE-UHFFFAOYSA-N 472.136 6.017 50 10 JKGE CC(C)(C)c1ccc(CSC(Nc2cccc(Cl)c2)=C(C#N)S(=O)(=O)c2ccccc2)cc1 2297350074 SOTMFBBMCWCNJG-UHFFFAOYSA-N 497.085 7.149 50 10 JKGE CCOc1cc(C=C(C#N)c2nc3ccccc3[nH]2)cc(Br)c1OCc1ccccc1F 2297369227 OUBLPZCELREUHR-UHFFFAOYSA-N 492.348 6.506 50 10 JKGE CCc1sc(Br)cc1[C@@H](Br)c1csc(C)c1Br 2303643383 DKZOFSYLAMGAAT-GFCCVEGCSA-N 459.066 6.690 50 10 JKGE Brc1cc(OCc2ccccc2)ccc1[C@@H](Br)[C@H]1C[C@@H]2O[C@H]1[C@H]1C[C@@H]21 2314456277 VVQDKKVONHBDMF-AZUBXHIKSA-N 464.197 5.888 50 10 JKGE CCOC(=O)c1ccc(NC(=O)C(C#N)=Cc2ccc(-c3cccc(C(F)(F)F)c3)o2)cc1 2314571717 KSNIEJDMDTWXQE-UHFFFAOYSA-N 454.404 5.688 50 10 JKGE CCOc1ccc(N2C(=O)[C@H](Cc3ccccc3)SC2=C(C#N)C(=O)Nc2ccccc2C)cc1 2314592626 YWSINNIACLZAJA-VWLOTQADSA-N 483.593 5.459 50 10 JKGE CCCOc1ccccc1C=C(C#N)C(=O)Nc1ccc(-c2nc3ccc(C)cc3s2)cc1 2314774203 XQDZHGUNLHFKJX-UHFFFAOYSA-N 453.567 6.606 50 10 JKGE Fc1c(Br)cc(Cl)c([C@H](Br)C2CCOCC2)c1Br 2315458509 NGHUOPMULLNJKL-SNVBAGLBSA-N 465.382 5.867 50 10 JKGE CC(C)CC1([C@H](Br)c2sc(Cl)cc2I)CCCC1 2316769084 GLNHTIXASKWHTB-CYBMUJFWSA-N 461.634 7.049 50 10 JKGE COc1nc(Oc2cc(Br)cc(I)c2)c(CCl)s1 2316848012 WNOGRZMNMMQZSB-UHFFFAOYSA-N 460.518 5.050 50 10 JKGE Cc1c(Br)sc([C@H](Br)[C@H]2CC[C@@H]2C(C)(C)C)c1Br 2320101151 MLSLVCZDMKUPTG-ATZCPNFKSA-N 459.085 7.090 50 10 JKGE N#CC(=Cc1ccc(Br)cc1)C(=O)Nc1ccc(C(=O)OC2CCCCC2)cc1 2329663546 WFJQGLBEVGLQDV-UHFFFAOYSA-N 453.336 5.484 50 10 JKGE CCCCCCCCCOc1ccc(C=C(C#N)c2nc3ccccc3n2CC)cc1Br 2331071794 LGFZDAPWFLVHHK-UHFFFAOYSA-N 494.477 8.012 50 10 JKGE CC(C)(C)c1ccc(C(=O)NCC(O)=C(C#N)c2nc(-c3ccc([N+](=O)[O-])cc3)cs2)cc1 2331279600 TWISRJBTMUNGGF-UHFFFAOYSA-N 462.531 5.238 50 10 JKGE CC(C)C[C@H](C(O)=C(C#N)c1nc(-c2ccc(F)cc2F)cs1)N1C(=O)c2ccccc2C1=O 2331286531 FNBNTSFGUVYKNW-OAQYLSRUSA-N 479.508 5.592 50 10 JKGE CCCCCCCOc1ccc(-c2csc(C(C#N)=C(O)c3ccnc(Cl)c3)n2)cc1 2331345326 FKHITWAHRXTIDZ-UHFFFAOYSA-N 453.995 7.158 50 10 JKGE COc1ccc(-c2csc(C(C#N)=C(O)c3cc([N+](=O)[O-])cc([N+](=O)[O-])c3C)n2)c(C)c1C 2331362843 OKNFHBIGDYINOF-UHFFFAOYSA-N 466.475 5.510 50 10 JKGE Cc1cc(C)c(C)c(-c2csc(C(C#N)=C(O)[C@H](C)Oc3ccc(Cl)cc3Cl)n2)c1C 2331366274 IJDAOPVEZKEENN-INIZCTEOSA-N 473.425 7.611 50 10 JKGE CC[C@]1([C@H](Br)c2c(Cl)cc(Br)c(F)c2Br)CCCO1 2337089741 DAUUZTXXOIZPRD-CHWSQXEVSA-N 479.409 6.399 50 10 JKGE C[C@H]1Cc2cc(Br)cc([C@H](Br)c3cnsc3Br)c2O1 2337333888 GISZBQQHLKMGJP-KGFZYKRKSA-N 468.008 5.476 50 10 JKGE CCCc1sc(Br)cc1[C@@H](Cl)c1ccc(Br)cc1Br 2338027460 WKMJGYMBVZAXKG-AWEZNQCLSA-N 487.482 7.316 50 10 JKGE FC(F)(F)c1ccc([C@H](Br)c2sc(Cl)cc2I)cc1 2338630418 MLNRGDQIJIXTLU-JTQLQIEISA-N 481.502 6.509 50 10 JKGE Cc1cc(Br)c([C@H](Cl)c2c(C)cc(Br)c(F)c2Br)s1 2339640174 VMBQPAUZUQSMTC-LLVKDONJSA-N 491.445 7.120 50 10 JKGE Cc1cc(Br)c(F)c(Br)c1[C@H](Br)[C@H]1C[C@@H]2C[C@@H]2CO1 2339648580 MUJAPGCTFRYBBE-AHKPZJBNSA-N 456.975 5.520 50 10 JKGE Cc1cc(Br)c(F)c(Br)c1[C@H](Br)[C@H]1C[C@@H]2CC[C@H]1C2 2339658242 GFLLXHUZQKBZNP-KEPMVKOISA-N 455.003 6.531 50 10 JKGE Clc1ccc(CN2CCC[C@@H](CCBr)CC2)c(I)c1 2341060092 RJRXFRWXKAIWPP-LBPRGKRZSA-N 456.593 5.332 50 10 JKGE BrCC12CCC(CC1)N(Cc1ccc(I)c(Br)c1)C2 2349835512 JQNGMJCAMRHYOY-UHFFFAOYSA-N 499.028 5.193 50 10 JKGE Cc1ccc(Cl)c([C@@H](Cl)c2c(Cl)cc(Br)c(F)c2Br)c1 2362231394 FKGKERMYCUTPLE-CYBMUJFWSA-N 461.383 7.294 50 10 JKGE COc1c(C)cc([C@H](Cl)c2c(Br)sc(Br)c2Cl)cc1Cl 2362871641 CIHAOQBYANBJEH-VIFPVBQESA-N 479.448 7.225 50 10 JKGE Cc1cc(Br)c(F)c(Br)c1[C@H](Br)Cc1cccc(Cl)c1 2365216541 VLNWSXPHFUPWNO-LLVKDONJSA-N 485.416 6.991 50 10 JKGE Cc1c(CBr)ccc(NC(=O)c2cc(Br)c(Br)s2)c1C 2368007938 OSFQNQJJWTUPQY-UHFFFAOYSA-N 482.035 6.037 50 10 JKGE COc1ccc([C@@H]2C(C#N)=C(N)OC3=C2C(=O)CC(C)(C)C3)c(CN2CCCc3ccccc32)c1 3671170 UONHVWZWGRXYJB-AREMUKBSSA-N 469.585 5.099 50 10 JKGE C/C(=N\NC(=O)COc1ccc(C(C)(C)CC(C)(C)C)cc1)c1ccc2c3c(cccc13)CC2 20071592 PIDHQGIDCLVANQ-AJBULDERSA-N 456.630 6.571 50 10 JKGE Cc1cc(C)cc(N/C(SCc2ccc(C)cc2C)=C(/C#N)S(=O)(=O)c2ccccc2)c1 20325395 SLWFMAWCRUMKMC-OCEACIFDSA-N 462.640 6.432 50 10 JKGE N#C/C(=C/c1cccn1Cc1ccc(Cl)cc1Cl)S(=O)(=O)c1ccc(Cl)cc1 20479454 NQLZYMRIEUVUDX-ODLFYWEKSA-N 451.762 5.835 50 10 JKGE Cc1ccccc1COc1ccc2ccccc2c1/C=N/NC(=O)CSc1nc2ccccc2[nH]1 32520639 UNXQNMUUVBTREM-MUFRIFMGSA-N 480.593 5.846 50 10 JKGE CCCNC(=O)/C(C#N)=C\c1ccc(OC(=O)/C=C/c2ccc(OCc3ccccc3)cc2)c(OC)c1 33716603 CELHQUJIDANYEZ-HHNRBCHWSA-N 496.563 5.326 50 10 JKGE CC(C)(CCl)C(=O)N1CCN(c2nc(C3CCCCC3)nc3sc4c(c23)CCCCC4)CC1 35892261 NJTCEMUJBUDHGG-UHFFFAOYSA-N 489.129 5.922 50 10 JKGE CCCOc1cccc(C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@H]3c2ccc(Cl)cc2Cl)c1 38655532 HDTNTERAVYHHLB-DEOSSOPVSA-N 495.362 6.220 50 10 JKGE Cc1ccc2oc(C(=O)Oc3ccc4c(c3)OC(N)=C(C#N)[C@@H]4c3cccc(F)c3)c(C)c2c1 38700511 GHZQCRLLEFMKBZ-XMMPIXPASA-N 454.457 5.626 50 10 JKGE CC1(C)[C@]2(C)CC[C@@]1(C(=O)Oc1ccc3ccccc3c1Br)[C@H](Br)C2=O 39753037 AJIKWFJKWZQAOS-HBGVWJBISA-N 480.196 5.667 50 10 JKGE CCOc1cc(/C=C2/C(=O)N(CC(C)C)C(=O)C(C#N)=C2C)ccc1OCc1ccccc1F 40514483 PORUJVSJXQUKPW-CIAFOILYSA-N 462.521 5.052 50 10 JKGE Nc1c(NNC(=O)C(c2ccccc2)c2ccccc2)ncnc1Nc1cc(Cl)ccc1Cl 40778279 CRWZLBWTXUJGNS-UHFFFAOYSA-N 479.371 5.384 50 10 JKGE COc1cc(/C=N/NC(=O)COc2ccc(Br)c(C)c2)ccc1OCc1ccc(C)cc1 40911181 KXXHPUVMZXTAPX-MZJWZYIUSA-N 497.389 5.183 50 10 JKGE CCCCNC(=O)/C(C#N)=C/c1ccc(OC(=O)COc2ccccc2-c2ccccc2)c(OC)c1 40991842 NKVOVGBEARWNTH-HAVVHWLPSA-N 484.552 5.170 50 10 JKGE CC1(C)[C@@H](Oc2c(Br)cc(Br)cc2Br)C[C@H]1Br 97646546 YHRKVHBPNLYKRR-ZJUUUORDSA-N 491.843 5.915 50 10 JKGE C[C@@H]1CCCC[C@@H]1NC(=O)[C@@H](c1ccc(Cl)cc1)N(CCc1ccccc1)C(=O)CCl 97914288 CEMAYZVIVXQAJG-RVSNTGDXSA-N 461.433 5.386 50 10 JKGE CN(C)c1ccc(/C=C(/C#N)C(=O)Nc2nc(-c3ccc(Br)cc3)cs2)cc1 101386787 UXPHAHABLWVIIB-WJDWOHSUSA-N 453.365 5.184 50 10 JKGE Brc1ccc(Br)c([C@@H](Br)c2cccc3ccccc23)c1 109844652 WXGYBHYRTVITEO-KRWDZBQOSA-N 454.987 6.849 50 10 JKGE COc1cc(Cl)c([C@@H](Br)c2cccc(I)c2)cc1OC 109867088 QEOLCUGMNDSJBB-HNNXBMFYSA-N 467.528 5.446 50 10 JKGE CCOc1ccc([C@H](Br)c2cc(Br)c(Br)s2)cc1OCC 128290134 UUWZCHMQNVIOSA-AWEZNQCLSA-N 499.062 6.555 50 10 JKGE Cc1cc(Br)c([C@H](Br)c2ccc3ccccc3c2)cc1Br 128811897 JBCXILKTNHGLEE-GOSISDBHSA-N 469.014 7.158 50 10 JKGE CCOc1cc(Cl)c([C@H](Br)c2cc(C)cc(Br)c2)cc1Cl 132030106 WFELOWHCFMEPSP-MRXNPFEDSA-N 453.001 6.947 50 10 JKGE Cc1cc([C@H](Cl)c2cc(Br)c(Br)s2)ccc1Br 137916777 RJLFFBCEXJSTSE-NSHDSACASA-N 459.428 6.672 50 10 JKGE Fc1cccc(F)c1CC(CBr)(CBr)c1ccc(Br)cc1 157754308 DQOLJSPYVSAWQI-UHFFFAOYSA-N 482.988 5.998 50 10 JKGE COc1cc(/C=N\NC(=O)Cc2cc(Cl)ccc2SC)ccc1OCc1ccccc1 169922633 XYTQXWDAQJWERZ-YSMPRRRNSA-N 454.979 5.342 50 10 JKGE CC1=C(C#N)C(=O)N(C)C(=O)/C1=C\c1cn(-c2ccccc2)nc1-c1ccc(OCC(C)C)cc1C 214206064 VRIOEUGIVYQPPW-QFEZKATASA-N 480.568 5.105 50 10 JKGE CC(C)(C)OC(=O)N1CCC(N/C=C(/C#N)C(=O)Nc2ccccc2Sc2ccccc2)CC1 217244122 NOGJLCXRQARMEC-HNENSFHCSA-N 478.618 5.173 50 10 JKGE Clc1ccc(I)c([C@@H](Cl)c2cc(Cl)c(Br)s2)c1 236031244 PBUGYFBSTXRNNQ-SNVBAGLBSA-N 482.395 6.750 50 10 JKGE CC(=NNC(=O)c1cc(-c2cccc(C)c2)nc2ccccc12)c1ccc(NC(=O)c2ccncc2)cc1 252624970 PZPYTFFZAQMDSR-UHFFFAOYSA-N 499.574 6.012 50 10 JKGE CCOc1cccc(C=NNC(=O)CSc2nc3ccccc3n2Cc2ccccc2Cl)c1O 252635955 XDAOAAWNELWICR-UHFFFAOYSA-N 495.004 5.085 50 10 JKGE C[C@]12CC[C@@H]3[C@H](CC=C4C[C@@H](OC(=O)/C=C/c5ccccc5)CC[C@@]43C)[C@H]1CC/C2=N/NC(N)=O 253570356 NMEUWUBEWUDIDC-VSSDAAQHSA-N 475.633 5.599 50 10 JKGE Cl[C@@H](c1cc(Br)c(Br)s1)c1sccc1I 307285326 ODGPPSQRGWNOJN-ZETCQYMHSA-N 498.430 6.267 50 10 JKGE C[C@@H](Cl)c1nc2cc(I)c(F)cc2n1[C@H](C)CN(C)Cc1ccccc1 311413301 CPJYYCSDSDOFGI-ZIAGYGMSSA-N 485.772 5.773 50 10 JKGE C[C@@]1(Cn2c(CCl)nc3cc(I)c(F)cc32)CCN(Cc2ccccc2)C1 380005693 QHXXYBCSOHASGH-OAQYLSRUSA-N 497.783 5.431 50 10 JKGE C[C@H](Cl)c1nc2cc(I)ccc2n1C[C@@H](C)N(C)Cc1ccccc1 390459835 BQLLWPZJAWZNHF-CABCVRRESA-N 467.782 5.461 50 10 JKGE COc1c(C)cc(Br)c(C)c1[C@@H](Br)c1cscc1Br 404786502 YPXJAHHFTJPFHI-ZDUSSCGKSA-N 469.036 6.383 50 10 JKGE 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 504163695 JKEJJFJGGOFWEL-FCURFHHDSA-N 491.200 9.245 50 10 JKGE CC(C)(C)OC(=O)N1CCc2ccccc2[C@H]1c1ccccc1CO[Si](C)(C)C(C)(C)C 616681167 WEDDMUOIMGWFTM-DEOSSOPVSA-N 453.699 7.091 50 10 JKGE COCc1cc(Br)c([C@H](Br)c2cc3c(s2)CCSC3)s1 688058778 FGRJTEALEQOKLW-CYBMUJFWSA-N 454.274 5.992 50 10 JKGE C[C@@H](Cl)c1nc2ccc(F)c(Br)c2n1C1CCN(Cc2ccccc2)CC1 689775984 TXEFEEFHGALZHJ-CQSZACIVSA-N 450.783 6.075 50 10 JKGE C[C@@H](CBr)[C@H]1CCCCN1C(=O)c1scc(Br)c1Br 705441767 KUNJNLVUEUMFAA-WCBMZHEXSA-N 474.056 5.299 50 10 JKGE CC(C)(C)OC(=O)N1C[C@@H](CI)[C@@H](c2cc(C(F)(F)F)ccc2Cl)C1 725423231 IQSDSQFYPCUUQS-MFKMUULPSA-N 489.703 5.744 50 10 JKGE Cc1cc(C=NNC(=O)CCSc2ccc(Cl)cc2)c(C)n1-c1ccc(Cl)c(Cl)c1 1083851530 OYJOSCNWMMCTTL-UHFFFAOYSA-N 480.848 6.687 50 10 JKGE O=C(CSc1nc2ccccc2[nH]1)NN=Cc1ccc(OCc2cccc3ccccc23)cc1 1083971860 CKHKZCNOMBIJJF-UHFFFAOYSA-N 466.566 5.538 50 10 JKGE Cc1ccc(Cn2cc(/C=C(\C#N)C(=O)Nc3cccc(Cl)c3Cl)c3ccccc32)cc1 1083997981 IZWFYJXHTDZNLV-CPNJWEJPSA-N 460.364 6.851 50 10 JKGE O=C(NN=Cc1cc(Cl)c(OCc2cccc([N+](=O)[O-])c2)c(Cl)c1)c1cc2ccccc2o1 1084122672 FKUFGFARAIWSGH-UHFFFAOYSA-N 484.295 5.991 50 10 JKGE Cc1cc(/C=C(\C#N)C(=O)Nc2cccc(Cl)c2Cl)c(C)n1-c1cccc([N+](=O)[O-])c1 1084141882 NWVGWSBCUKJEIM-MHWRWJLKSA-N 455.301 5.855 50 10 JKGE Cc1ccccc1CSCC(=O)NN=Cc1c(Br)c(C)n(-c2c(C)cccc2C)c1C 1084324455 QMZAYCPAKNBSOB-UHFFFAOYSA-N 498.490 6.165 50 10 JKGE Cc1c(Br)cc(C=NNC(=O)c2ccccc2Br)cc1Br 1084393581 ATSKXXZOMOELIE-UHFFFAOYSA-N 474.978 5.046 50 10 JKGE O=C(N/N=C/c1c(O)ccc2ccccc12)/C(=C\c1ccccc1)NC(=O)c1ccccc1Cl 1088701587 BMFYJYTYYYLDKI-OENVYKDISA-N 469.928 5.120 50 10 JKGE C[C@@H](Oc1ccc(-c2ccccc2)cc1)C(=O)NN=Cc1ccc(OCc2ccccc2Cl)cc1 1772755328 BCDNGRBIGXAWAH-OAQYLSRUSA-N 484.983 6.504 50 10 JKGE N#CC1=C(N)Oc2c(c(C(F)(F)F)nn2-c2cccc(Cl)c2)[C@H]1c1ccc(Cl)cc1 1865684186 VVDXSJQLJFMAQF-HNNXBMFYSA-N 451.235 5.416 50 10 JKGE CCc1nn(Cc2ccc(Cl)cc2)c2c1[C@@H](c1ccc(OCc3ccccc3)cc1)C(C#N)=C(N)O2 1865690365 PIISFXORAVMCGW-SANMLTNESA-N 496.998 5.944 50 10 JKGE COc1ccc(-c2nn(-c3ccc(Cl)cc3)c3c2[C@@H](c2cccc(C)c2)C(C#N)=C(N)O3)cc1 1865711167 REZIFIDGFMHKML-QHCPKHFHSA-N 468.944 5.728 50 10 JKGE C[C@H]1CN(c2cc(Nc3ccc(SC#N)cc3)nc(-c3ccc(Cl)cc3)n2)C(C)(C)CO1 1868433110 DYXZJLRGTUQVFP-INIZCTEOSA-N 466.010 6.117 50 10 JKGE C[C@H]1Cc2ccccc2N(c2cc(Nc3ccc(SC#N)cc3)nc(-c3ccc(F)cc3)n2)C1 1868455786 BUBGRNPRYGXESX-SFHVURJKSA-N 467.573 6.930 50 10 JKGE CC[C@@H](C)[C@H](/C(O)=C(\C#N)c1nc(-c2ccc(C)cc2)cs1)N1C(=O)c2ccccc2C1=O 1872749209 HBHFFEWINYRNCN-UAULPJAESA-N 457.555 5.622 50 10 JKGE CCCCCCOc1ccc(/C(O)=C(\C#N)c2nc(-c3ccc(OC)c(F)c3)cs2)cc1 1872752403 AOJWWDRTKNXPHO-GFMRDNFCSA-N 452.551 6.867 50 10 JKGE CCc1cccc(C)c1N1C[C@H](/C(O)=C(\C#N)c2nc(-c3c(C)c(C)cc(C)c3C)cs2)CC1=O 1872754095 BZWHZKMYHHFRJN-PMHNHTQJSA-N 485.653 6.760 50 10 JKGE COc1c(Cl)cc(-c2csc(/C(C#N)=C(\O)c3ccc(-c4ccccc4)cc3)n2)cc1Cl 1872755711 BCGVBOYUPIBDON-NMWGTECJSA-N 479.388 7.742 50 10 JKGE COc1c(C)cc(Cl)cc1-c1csc(/C(C#N)=C(\O)COc2ccc(Cl)c(C)c2)n1 1872757016 MIJILIOLFLRTMK-JZJYNLBNSA-N 461.370 6.614 50 10 JKGE COC(=O)c1ccc(/C=C/C(O)=C(\C#N)c2nc(-c3cc(Cl)ccc3Cl)cs2)cc1 1872758582 HQLAAFQJRLPSNL-UARHOMKASA-N 457.338 6.410 50 10 JKGE CCOc1cc(/C=C(\C#N)c2nc(-c3ccc(Cl)cc3Cl)cs2)cc(Br)c1O 1872781835 UWJSKSZFKHYOOF-LFYBBSHMSA-N 496.213 7.048 50 10 JKGE Fc1cc(Cl)c(Br)c(Cl)c1[C@H](Br)[C@@H]1C[C@@H]1Br 1899469099 HBNQWLQYGKPLBA-PDJPSNROSA-N 455.774 6.114 50 10 JKGE O=C(c1ccc(Br)cc1F)N(Cc1ccccc1)[C@H](CBr)C1CC1 1915313133 MMZRYYXWSMCDMM-GOSISDBHSA-N 455.165 5.404 50 10 JKGE Cc1cc([C@H](Br)c2c(Br)cc(F)c(F)c2F)oc1Br 1917604166 NYNOHANDFMJSCO-VIFPVBQESA-N 462.885 6.015 50 10 JKGE CC1(C)CC([C@@H](Br)c2c(Br)sc(Br)c2Cl)C1 1923039940 RRGXMWHAWKFNEZ-SSDOTTSWSA-N 451.449 6.799 50 10 JKGE Cc1cc(Cl)cc([C@H](Br)c2c(Br)sc(Br)c2Cl)c1 1923054268 COOVHEMEJQRCGV-VIFPVBQESA-N 493.873 7.373 50 10 JKGE COc1ccc([C@@H](Cl)c2c(Br)sc(Br)c2Br)s1 1924569953 CDWROLNWYSYWKM-MRVPVSSYSA-N 481.456 6.434 50 10 JKGE Cc1c(Br)sc([C@H](Cl)c2csnc2Br)c1Br 1925270812 NWFYSDGLTHBZCY-ZCFIWIBFSA-N 466.445 6.129 50 10 JKGE Cl[C@H](c1c(Br)sc(Br)c1Br)[C@@H]1[C@H]2CCO[C@H]21 1983250374 UNBMDMZYVWZPNX-FCFNNHQFSA-N 451.405 5.350 50 10 JKGE C[C@]1([C@@H](Br)c2cc(Br)sc2Br)CCCC1(F)F 2002580608 CIAVJWNGKMNTSG-WCBMZHEXSA-N 452.984 6.535 50 10 JKGE Cc1nn(C)c([C@H](Br)c2sc(Cl)cc2Br)c1Br 2017378157 YWJPMSOWSHKOTQ-QMMMGPOBSA-N 463.420 5.453 50 10 JKGE CS(=O)(=O)c1sccc1[C@H](Cl)c1cc(Br)sc1Br 2033134921 IPOIHURLJZXNKT-QMMMGPOBSA-N 450.626 5.066 50 10 JKGE C[C@@H](c1ccncc1Br)[C@H](Br)c1cc(Br)c(Cl)s1 2052441262 DXXFDVKYYNRQRJ-KGFZYKRKSA-N 474.443 6.561 50 10 JKGE Fc1ccc(C(F)(F)F)nc1-n1nc(CBr)c(Br)c1C(F)(F)F 2078912807 YLFTZENUEMQDBN-UHFFFAOYSA-N 470.968 5.101 50 10 JKGE Cc1cc(Br)ccc1S(=O)(=O)N(Cc1ccccc1)[C@@H](CBr)C(C)C 2085731369 NHMYOLQLUGCQME-SFHVURJKSA-N 489.273 5.368 50 10 JKGE O=C(c1cc(Br)c(Br)s1)N1CC[C@@H]2C[C@@H](Br)CC[C@@H]21 2087664738 RHRQHXQABUEUDV-WEDXCCLWSA-N 472.040 5.051 50 10 JKGE Fc1c(Br)ccc(CC(CBr)(CBr)C2CCC2)c1F 2089707637 QCAYBCFHCCJLIU-UHFFFAOYSA-N 460.982 5.846 50 10 JKGE O=C(c1csc(Br)c1Br)N1CC[C@@H]2C[C@H](Br)CC[C@@H]21 2093947109 PDBCOHOVRQJCBW-MRTMQBJTSA-N 472.040 5.051 50 10 JKGE CN(Cc1ccc(Br)cc1Br)C[C@@H](Br)C1CCCC1 2111364630 RKJDGBSONRIUSN-OAHLLOKOSA-N 454.044 5.597 50 10 JKGE CCOc1ccc([C@@H](Br)c2cc(Br)c(Cl)s2)cc1Br 2115943531 WXNUXCLHFAZJDD-GFCCVEGCSA-N 489.454 6.810 50 10 JKGE CO[C@H]1C[C@H]([C@@H](Br)c2cc(Br)ccc2Br)C[C@H]1OC 2118278117 CVZZBNDHGLCGGB-ULTHFGNCSA-N 457.000 5.088 50 10 JKGE Clc1ccccc1[C@H](Br)CCc1cc(Br)ccc1Br 2118531060 HNVZXJDWTILBQP-CQSZACIVSA-N 467.426 6.934 50 10 JKGE Brc1ccc(C[C@@H]2C[C@@H](Br)CC3(CCC3)C2)c(Br)c1 2127178019 OPXPOFZUTKBXRT-BXUZGUMPSA-N 451.040 6.488 50 10 JKGE Clc1c(Br)sc(Br)c1[C@@H](Br)C1CC2(C1)CC21CCC1 2127503506 BAWHCZIEUULFPM-ZQQUDOKWSA-N 489.498 7.333 50 10 JKGE CC1(C)C[C@](C)(CBr)CN1C(=O)c1cc(Br)sc1Br 2134834732 UNAOLFYTJRCOOX-CYBMUJFWSA-N 474.056 5.299 50 10 JKGE COc1c(Cl)cc(Br)cc1[C@H](Br)c1nn(C)cc1Br 2138245187 BIFLNGFGPHZGEY-JTQLQIEISA-N 473.390 5.091 50 10 JKGE C[C@]1(C2CC2)CN(c2ccc(F)c(Cl)c2CBr)CCN1Cc1ccccc1 2151090950 VCHCVEVUPJIPSH-JOCHJYFZSA-N 451.811 5.865 50 10 JKGE Clc1csc([C@H](Br)c2cc(Br)cc3c2OCCC3)c1Cl 2152528044 NWVCIEJFBWQYLI-LLVKDONJSA-N 457.014 6.627 50 10 JKGE CC(C)(C)C[C@H](CCl)CNC(=O)c1cc(Br)ccc1I 2156325399 COIUFUDWXHSGHF-SNVBAGLBSA-N 472.592 5.075 50 10 JKGE CCOc1ccc([C@H](Br)c2c(Br)sc(C)c2C)cc1Br 2157250366 DKQGRAYDWUDOCV-AWEZNQCLSA-N 483.063 6.773 50 10 JKGE CC(C)c1nsc(COc2c(Br)cc(Br)cc2CBr)n1 2158915457 IROYRHMLJAXQNE-UHFFFAOYSA-N 485.039 5.660 50 10 JKGE COc1ccc(Br)cc1CC[C@H](Br)c1ccccc1Br 2169748915 PPGYWJUORKGNJA-HNNXBMFYSA-N 463.007 6.289 50 10 JKGE O=C(N[C@H](CBr)[C@@H]1CC=CCC1)c1cccc(Br)c1Br 2196138464 ATNQMZXFABRIRJ-ZWNOBZJWSA-N 466.011 5.061 50 10 JKGE CC(C)NCc1cc(Br)cc(Br)c1OCC1CC(Br)C1 2196906170 AHZSHQCKNMKJMN-UHFFFAOYSA-N 470.043 5.262 50 10 JKGE COc1cc(C)c([C@H](Br)c2cc(C)ccc2Br)cc1Br 2198736320 CLNZWTCQOIJPTE-INIZCTEOSA-N 463.007 6.321 50 10 JKGE Fc1ccc(F)c([C@@H](Br)c2cc(Br)c(Br)cc2F)c1 2225618165 VAVVRIZLYWADIK-CYBMUJFWSA-N 458.897 6.113 50 10 JKGE ClCc1nc2cc(Br)c(Br)cc2n1Cc1ccn(Cc2ccccc2)n1 2225701829 MPRVNBOVSIXCMW-UHFFFAOYSA-N 494.618 5.593 50 10 JKGE BrCC(CBr)(Cc1cscc1Br)C1CCCCCC1 2227115767 OVKVRXZHGAZISN-UHFFFAOYSA-N 473.112 6.800 50 10 JKGE FC1(F)CC12CC([C@H](Br)c1c(Br)cc(Cl)c(Cl)c1Cl)C2 2232528799 JNCRBAZULVRQSX-MFOBGVTRSA-N 469.378 7.281 50 10 JKGE C[C@H](Cl)c1nc2c(Br)cc(F)cc2n1C[C@@H]1CC1(Br)Br 2233037134 AHBCPHYXQOGNEV-BQBZGAKWSA-N 489.408 5.744 50 10 JKGE Fc1cc(Br)c(Br)cc1[C@@H](Br)C1CC2(CCCCC2)C1 2233982621 XTGOLLTZQKGEPB-HNNXBMFYSA-N 469.030 7.147 50 10 JKGE Cc1cc(Br)c([C@H](Cl)c2c(Br)nn(C)c2C)c(C)c1Br 2235607838 HFZRAVYVNBXHTK-ZDUSSCGKSA-N 485.445 5.961 50 10 JKGE CC[C@@H](CC(F)(F)F)[C@@H](Br)c1c(Br)cc(C)c(Br)c1C 2235609374 NIYPJKNMLZFGCU-TVQRCGJNSA-N 480.988 7.243 50 10 JKGE Cc1cc(Br)c([C@H](Br)[C@]23CCC[C@H]2OCC3)c(C)c1Br 2235612016 MNDWAAWTYREYOP-KCXAZCMYSA-N 467.039 6.224 50 10 JKGE Fc1cc(F)c([C@@H](Br)c2cc(Br)ccc2Cl)c(F)c1Br 2236108185 IWUYPKWOKWIISN-NSHDSACASA-N 493.342 6.767 50 10 JKGE O=C(c1csc(Br)c1Br)N1[C@H](CBr)C[C@H]2CCCC[C@H]21 2240731463 SPALBWUWLQOOQK-WCABBAIRSA-N 486.067 5.441 50 10 JKGE CCc1cc([C@@H](Br)c2c(Br)sc(C)c2C)sc1Br 2255971457 HPBIPSJUBQNQHB-LLVKDONJSA-N 473.093 6.998 50 10 JKGE COc1c([C@@H](Br)c2cc(Br)c(Br)cc2F)csc1Cl 2268951949 FCJTXRYXIOVUJD-JTQLQIEISA-N 493.417 6.559 50 10 JKGE Oc1nc2cc([C@@H](Cl)c3scc(Br)c3Cl)c(Br)cc2[nH]1 2279286656 FLYWKFUBZZGLBJ-SECBINFHSA-N 456.974 5.837 50 10 JKGE C[C@H](Br)c1ccccc1NC(=O)c1ccc(Cl)c(I)c1 2283656802 PGPZOXPYIBQCKC-VIFPVBQESA-N 464.528 5.653 50 10 JKGE COc1ccc([C@H](Br)c2ccc3sncc3c2)cc1I 2285006333 XBTCQDXIUNFYOD-OAHLLOKOSA-N 460.134 5.394 50 10 JKGE Fc1cc(Br)c(F)c(Br)c1[C@H](Br)[C@@H]1CC[C@H]1C(F)(F)F 2288345188 PUPDABWDAWBSBR-UDJQAZALSA-N 486.898 6.514 50 10 JKGE N#CC(=Cc1ccc(Oc2ccc(C(F)(F)F)cc2[N+](=O)[O-])c(Cl)c1)C(=O)NC1CCCCC1 2294171834 CDFXMOIDTFRRRP-UHFFFAOYSA-N 493.869 6.415 50 10 JKGE Cc1cc(C=C(C#N)C(=O)Nc2cc(C(F)(F)F)ccc2Cl)c(C)n1-c1cccc(Cl)c1 2295187835 ZMCGVQDEFYEGMB-UHFFFAOYSA-N 478.301 6.965 50 10 JKGE Fc1cc(Br)cc(F)c1[C@@H](Cl)Cc1cc(Br)cc(Br)c1 2295334336 VEVIAOHYTKSLLE-NSHDSACASA-N 489.379 6.775 50 10 JKGE FC1(F)CCCC[C@H]([C@@H](Br)Cc2cc(Br)cc(Br)c2)C1 2295336603 YMYBCSVTIMZLHK-FZMZJTMJSA-N 475.009 6.733 50 10 JKGE N#CC(=CNc1ccc2ccccc2c1)c1nc(-c2cc3cc([N+](=O)[O-])ccc3oc2=O)cs1 2296800565 GNICYVCBAFACOX-UHFFFAOYSA-N 466.478 5.954 50 10 JKGE N#CC(C(=O)Nc1ccc(F)cc1)=C1S[C@@H](Cc2ccc(F)cc2)C(=O)N1c1ccc(F)cc1 2297467764 GKWQMWSGDGNGHH-QFIPXVFZSA-N 479.483 5.169 50 10 JKGE O[C@H](c1c(Cl)cc(Br)c(F)c1Br)[C@H]1C[C@H](Br)C1 2300207270 XUCFQZUSENSZOV-ANYMCVJYSA-N 451.355 5.211 50 10 JKGE Cc1scc([C@@H](Cl)c2cc(Br)ccc2OCc2ccccc2)c1Br 2303643963 LRFVCKPKPDNPHJ-IBGZPJMESA-N 486.656 7.489 50 10 JKGE Cc1cc(C=C(C#N)C(=O)Nc2cccc(Cl)c2Cl)c(C)n1-c1cccc(Br)c1 2313570783 GFCLOXGZVDPZBA-UHFFFAOYSA-N 489.200 6.709 50 10 JKGE Cc1ccc(NC(=O)C(C#N)=Cc2cc(Cl)ccc2OCc2cccc(Cl)c2)cc1C 2313730251 KRGBTQMYMPURRY-UHFFFAOYSA-N 451.353 6.735 50 10 JKGE N#CC(=Cc1cn(-c2ccccc2)nc1-c1ccccc1)C(=O)Nc1cc(Cl)cc(Cl)c1 2314488707 MRLGJOPTIHMGFQ-UHFFFAOYSA-N 459.336 6.392 50 10 JKGE Cc1c(Cl)sc(Cl)c1[C@@H](Br)c1ccc(Cl)c(I)c1 2314511723 VBUAHMGTQZTGDT-JTQLQIEISA-N 496.422 7.106 50 10 JKGE CCc1ccc(Oc2nc3ccccn3c(=O)c2C=C(C#N)C(=O)Nc2cc(C)ccc2C)cc1 2314531581 CNFJUACLRCIKJV-UHFFFAOYSA-N 464.525 5.212 50 10 JKGE CCc1ccc(C[C@@H]2SC(=C(C#N)C(=O)Nc3ccc(C)cc3)N(c3ccc(OC)cc3)C2=O)cc1 2314592261 PDRIDRHHUJHTSU-SANMLTNESA-N 497.620 5.631 50 10 JKGE FC1(F)C[C@]12CC[C@H]([C@H](Br)c1sc(Cl)cc1I)C2 2316777305 LWIVCSVDUVFJKU-DQBIJJQNSA-N 467.544 6.268 50 10 JKGE Cc1cc(Br)c(F)c(Br)c1[C@H](Br)[C@H](C)C(C)(F)F 2317429347 QSJHXOFZOVXDRS-IMTBSYHQSA-N 452.934 6.386 50 10 JKGE O=C(N[C@H](CCBr)COCc1ccccc1)c1cc(F)c(Br)cc1Cl 2320360988 OLXFQCVXYZVHHW-CYBMUJFWSA-N 493.598 5.342 50 10 JKGE COc1ccc([C@@H](Br)c2csc(C)c2Br)cc1Br 2320480485 HLFGQWSJXXROAN-CYBMUJFWSA-N 455.009 6.074 50 10 JKGE CC[C@H](NC(=O)C(C#N)=CNCc1ccc(Br)cc1)c1ccc2c(c1)CCCC2 2325092897 GVPKSIQTVWBGKF-QHCPKHFHSA-N 452.396 5.092 50 10 JKGE CCCCOC(=O)c1ccccc1NC=C(C#N)C(=O)Nc1ccc(Oc2ccccc2)cc1 2325129972 SZTZVFRGMFOLOX-UHFFFAOYSA-N 455.514 5.894 50 10 JKGE N#CC(=C(O)CCCOc1ccc(Cl)cc1)c1nc(-c2ccc(-c3ccccc3)cc2)cs1 2331232066 ONUWIGWXNBTTTF-UHFFFAOYSA-N 472.997 7.782 50 10 JKGE CC[C@@H](C)[C@@H](C(O)=C(C#N)c1nc(-c2ccc(F)cc2F)cs1)N1C(=O)c2ccccc2C1=O 2331293042 KXBGCGPGXLIVQB-ASSNKEHSSA-N 479.508 5.592 50 10 JKGE COc1ccc(Cl)cc1N1C[C@H](C(O)=C(C#N)c2nc(-c3cccc(Cl)c3)cs2)CC1=O 2331294005 DFMWZIWZSRQOJX-CQSZACIVSA-N 486.380 5.971 50 10 JKGE CCCCc1ccc(N2C[C@@H](C(O)=C(C#N)c3nc(-c4ccc(Cl)cc4)cs3)CC2=O)cc1 2331299354 XRDGLXBNHYRZKU-IBGZPJMESA-N 478.017 6.652 50 10 JKGE N#CC(=C(O)CCCCCN1C(=O)c2cccc([N+](=O)[O-])c2C1=O)c1nc(-c2ccccc2)cs1 2331304830 HXYCOCIUPHOUCK-UHFFFAOYSA-N 488.525 5.368 50 10 JKGE COc1cc(Cl)c(C)cc1-c1csc(C(C#N)=C(O)C(c2ccccc2)c2ccccc2)n1 2331389204 DRXHJOVUBAVJMO-UHFFFAOYSA-N 472.997 7.405 50 10 JKGE CCN(CC)c1ccc(C=C(C#N)c2nc(-c3cc(Cl)cc(Cl)c3OC)cs2)cc1 2331467538 BPEGDBITMZGNDH-UHFFFAOYSA-N 458.414 7.036 50 10 JKGE CCOc1ccccc1[C@H](Br)c1ccc(OCc2ccccc2)cc1Br 2336049637 DYLQCTWJRRTVGC-JOCHJYFZSA-N 476.208 6.911 50 10 JKGE C[C@@H]1OCCO[C@@H]1[C@@H](Br)c1c(Cl)cc(Br)c(F)c1Br 2337082215 JADDQOITQKCHFC-XWBGKGMUSA-N 481.381 5.244 50 10 JKGE Cc1cc(Br)c(F)c(Br)c1[C@H](Br)C1CC2(CCC2)C1 2339651237 NSGONSZLSJHUGA-GFCCVEGCSA-N 455.003 6.675 50 10 JKGE Cc1c(Cl)sc(Cl)c1[C@@H](Br)c1cc(Br)cc(C(C)C)c1 2361205674 GIHMWPSLGCEIRZ-ZDUSSCGKSA-N 457.058 7.734 50 10 JKGE FC(F)(F)[C@H]1C[C@H](Br)CCN1Cc1cccc(Br)c1Br 2361420744 MQWUQGPOMMMPLS-MWLCHTKSSA-N 479.960 5.502 50 10 JKGE N#Cc1cc(CBr)ccc1OCc1cc(Br)cc(Br)c1 2362212716 WCUUPILQVSPKAA-UHFFFAOYSA-N 459.963 5.557 50 10 JKGE COc1c(Br)cc(C)c([C@@H](Br)[C@@](C)(F)C(C)(C)F)c1Br 2365214405 ABRDUBFJZLGNEB-TZMCWYRMSA-N 478.997 6.441 50 10 JKGE Clc1ccc([C@@H](Br)c2ccc([C@H]3CCOC3)s2)c(I)c1 2365594846 CLVRXONWDCAVOX-BJOHPYRUSA-N 483.596 5.994 50 10 JKGE Cc1cc(Br)c(C)c([C@H](Br)C[C@@H]2CC[C@@H]2C2CC2)c1Br 2367951930 WBBHSOGRYPMMIJ-GZBFAFLISA-N 465.067 7.091 50 10 JKGE Cc1cc(Br)c([C@H](Br)C[C@@H]2CC[C@@H]2C2CC2)c(C)c1Br 2367953125 KTLVITHTXJESGU-GZBFAFLISA-N 465.067 7.091 50 10 JKGE O=C(N[C@@H](CCCl)COCc1ccccc1)c1cc(C(F)(F)F)ccc1Br 2369888060 ZBMJIZLJVURAOO-HNNXBMFYSA-N 464.709 5.412 50 10 JKGE CCOc1ccc(-c2c(C)sc(NC(=O)/C(C#N)=C\c3ccc(C(C)C)cc3)c2C(=O)OC)cc1 35062272 MJORABUEZIAHTI-JCMHNJIXSA-N 488.609 6.578 50 10 JKGE N#CC1=C(N)Oc2cc(OC(=O)c3ccc(Cl)cc3Cl)ccc2[C@H]1c1ccccc1F 38651966 SIFLIWDJNLHRSQ-OAQYLSRUSA-N 455.272 5.570 50 10 JKGE CCOc1cccc(C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@H]3c2ccccc2Br)c1 38678840 UAVIHVOYCDDBRD-QHCPKHFHSA-N 491.341 5.285 50 10 JKGE Cc1ccc(Oc2nc3c(C)cccn3c(=O)c2/C=C(\C#N)C(=O)Nc2ccccc2C)c(C)c1 39993139 VFMKRFZOQRCPRH-RCCKNPSSSA-N 464.525 5.266 50 10 JKGE O=C(NNc1ncnc(Nc2ccc(/N=N/c3ccccc3)cc2)c1[N+](=O)[O-])c1ccccc1F 40645900 BGSIAQGRWVUYSC-ZQHSETAFSA-N 472.440 5.440 50 10 JKGE O=C(CSc1nc(-c2ccc(Cl)cc2)cs1)N/N=C/c1ccc(Cl)c(Cl)c1 40924696 JKHOIIFMUNDWMR-GZIVZEMBSA-N 456.807 6.013 50 10 JKGE CCCOc1ccc(/C=C(\C#N)C(=O)Nc2sc(C)c(-c3cccc(Cl)c3)c2C(=O)OC)cc1 41013356 MIUBRSDXZVBHGL-CPNJWEJPSA-N 495.000 6.498 50 10 JKGE CCCCCOc1ccc(/C=N/NC(=O)CSc2cc(C)nc(SCCCC)n2)cc1 48547353 PWZAUSIYOFFXHN-LFVJCYFKSA-N 460.669 5.489 50 10 JKGE CCOc1cc(/C=C(/C#N)C(=O)Nc2ccc(F)cc2)ccc1OCc1cccc(Cl)c1 59116815 GMUBPVFTNJYEKW-UNOMPAQXSA-N 450.897 6.002 50 10 JKGE FC(F)(F)C(F)(F)[C@@H](Br)c1cc(Br)sc1Br 71101391 CSIMECAZISIAMU-BYPYZUCNSA-N 452.862 5.907 50 10 JKGE CC(C)[C@H](CBr)COc1c(Br)cc([N+](=O)[O-])cc1Br 96871147 JLLYJYOAFDTPBP-MRVPVSSYSA-N 459.960 5.166 50 10 JKGE CCc1ccc(N2C(=O)[C@@H](Cc3cccc(C)c3)S/C2=C(/C#N)C(=O)Nc2ccccc2C)cc1 101244903 MUOZBCCPAGJXDN-SCHJHDHGSA-N 481.621 5.931 50 10 JKGE Cc1cccc(N/C(SCc2cccc(Cl)c2)=C(\C#N)S(=O)(=O)c2ccccc2)c1 104689102 PVMUFCCNXSGRPQ-FCQUAONHSA-N 455.004 6.160 50 10 JKGE CC[C@H](C)c1ccc([C@@H](Br)c2cc(Br)c(Br)s2)cc1 128861597 YPEDOUOWXGOCNM-LKFCYVNXSA-N 467.064 7.271 50 10 JKGE CCOc1ccc([C@H](Br)c2ccc(C)cc2Br)c(Br)c1 161447907 DPVWTFWXABOBNA-MRXNPFEDSA-N 463.007 6.403 50 10 JKGE CSc1ccc(Cl)cc1CC(=O)N/N=C\c1ccc(OCCCc2ccccc2)cc1 169922721 ZJALWZFMWGRHDZ-IMRQLAEWSA-N 453.007 5.766 50 10 JKGE CC[C@H](C)[C@H](c1ccccc1)[C@@H](Br)c1cc(Br)c(Br)s1 226742063 VDHCSWNQRBONNU-VQISRLSMSA-N 481.091 7.539 50 10 JKGE Brc1cc([C@H](Br)c2ccoc2Br)c(Br)s1 232483930 DAPGFTCRBSWKGC-SSDOTTSWSA-N 479.813 6.113 50 10 JKGE COc1ccc([C@H](Cl)c2cc(Br)ccc2I)cc1OC 234991358 WMXRLDRGSIXCEJ-HNNXBMFYSA-N 467.528 5.399 50 10 JKGE COc1ccc([C@H](Br)c2ccc(Cl)cc2Br)c(Br)c1 234997851 MWIXJBBKIXYFED-CQSZACIVSA-N 469.398 6.358 50 10 JKGE CCOc1cc(C=NNC(=O)c2c(-c3ccccc3)noc2C)ccc1OC(=O)c1cccs1 252634800 WQYNWOXCDDTOCG-UHFFFAOYSA-N 475.526 5.093 50 10 JKGE CCOc1ccc(OCc2ccc(C(=O)NN=C(C)c3ccc(Cl)cc3Cl)cc2)cc1 254792786 ZWYIFLOOQBHYLJ-UHFFFAOYSA-N 457.357 6.125 50 10 JKGE C[C@H](Cl)c1nc2cc(Cl)c(Cl)cc2n1CCCN(Cc1ccccc1)Cc1ccccc1 390477796 JXPFXWVZWBYTSY-IBGZPJMESA-N 486.874 7.735 50 10 JKGE 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 504439908 GSJLBVBYMSNTPZ-GQRSYQMZSA-N 468.977 5.457 50 10 JKGE CC(C)(C)OC(=O)NCCN1CCOC[C@H]1c1ccccc1CO[Si](C)(C)C(C)(C)C 616640578 HZQNDRDGCUWHCM-NRFANRHFSA-N 450.696 5.106 50 10 JKGE Fc1ccc(Br)c([C@@H](Br)c2ccc(F)c(Br)c2F)c1 691638077 YBLIXQDCYPNCNI-NSHDSACASA-N 458.897 6.113 50 10 JKGE Fc1cc(Br)c(Cl)cc1[C@H](Br)Cc1ccccc1Br 692441686 STTVEXOBPPCQRA-LLVKDONJSA-N 471.389 6.683 50 10 JKGE Clc1cc(Br)c(OCc2coc(Br)c2)c(CBr)c1 708133867 NPRVMQQSXRCDRF-UHFFFAOYSA-N 459.359 5.932 50 10 JKGE BrCc1cc(Br)c(OC[C@@H]2C[C@@H]3CCC[C@@H]3O2)c(Br)c1 720793340 IOEJAPGUYFJEJJ-MJVIPROJSA-N 469.011 5.443 50 10 JKGE Fc1cccc(C[C@H](Br)c2ccc(I)c(Br)c2)c1 721573176 OMQFBSPVZCIVBV-LBPRGKRZSA-N 483.944 5.872 50 10 JKGE O=C(NN=Cc1c2ccccc2cc2ccccc12)c1cccc(NC(=O)c2ccccc2Cl)c1 1082753812 NHHYWPCXQKVIAQ-UHFFFAOYSA-N 477.951 6.663 50 10 JKGE N#CCOc1c(Cl)cc(/C=C(\C#N)C(=O)Nc2cccc(Cl)c2Cl)cc1Br 1083984770 ILXVPMGTOZEMAX-IZZDOVSWSA-N 485.552 5.857 50 10 JKGE CC(C)(C)c1cc(/C=C(/C#N)C(=O)Nc2cc([N+](=O)[O-])ccc2Cl)cc(C(C)(C)C)c1O 1084506774 MVBKSULJASSYFH-DHDCSXOGSA-N 455.942 6.094 50 10 JKGE CCOc1cc(/C=C(/C#N)C(=O)Nc2cccc3ccccc23)ccc1OCc1ccccc1Cl 1084563268 VHVMHURSQIXXKD-KQWNVCNZSA-N 482.967 7.017 50 10 JKGE COc1cc(/C=C(\C#N)c2ccccc2OC)ccc1OC(=O)c1ccc(Br)o1 1615066145 UQJGOSSPOZUDSJ-RVDMUPIBSA-N 454.276 5.343 50 10 JKGE CCOc1ccc(C=NNC(=O)CCCOc2ccc(CC)cc2Br)cc1OCC 1772755422 HAWGWGDZLFUVJU-UHFFFAOYSA-N 477.399 5.118 50 10 JKGE COc1ccc(-c2nn(-c3cccc4ccccc34)c3c2[C@H](c2cccc(O)c2)C(C#N)=C(N)O3)cc1 1865681154 GGZPBDZHJMFSPE-AREMUKBSSA-N 486.531 5.625 50 10 JKGE COc1ccc(-c2nn(-c3cccc(Cl)c3)c3c2[C@@H](c2ccccc2F)C(C#N)=C(N)O3)cc1 1865683507 LIDSJNXAQNUIBN-QFIPXVFZSA-N 472.907 5.559 50 10 JKGE N#CC1=C(N)Oc2c(c(C(F)(F)F)nn2Cc2cccc(Cl)c2)[C@@H]1c1ccc(Cl)cc1Cl 1865684960 BJYWGBINOOMRPJ-MRXNPFEDSA-N 499.707 6.129 50 10 JKGE COc1cc([C@@H]2C(C#N)=C(N)Oc3c2c(C)nn3-c2ccccc2Cl)ccc1OCc1ccccc1 1865687240 MWDGDIYWTIAIGW-AREMUKBSSA-N 498.970 5.640 50 10 JKGE CCCCCOc1ccc([C@@H]2C(C#N)=C(N)Oc3c2c(CCC)nn3-c2cccc(Cl)c2)cc1 1865690153 JZIXLSQJWKYWKC-XMMPIXPASA-N 477.008 6.265 50 10 JKGE CCOc1cc([C@H]2C(C#N)=C(N)Oc3c2c(C)nn3-c2ccccc2)ccc1OCc1ccccc1 1865694671 YYJQJPIIMZROIE-MHZLTWQESA-N 478.552 5.377 50 10 JKGE CCOc1ccc([C@@H]2C(C#N)=C(N)Oc3c2c(C(F)(F)F)nn3-c2cccc(Cl)c2)cc1 1865694695 ZJGXJIXUXFPWRS-QGZVFWFLSA-N 460.843 5.161 50 10 JKGE CCCOc1ccccc1[C@H]1C(C#N)=C(N)Oc2c1c(CCC)nn2-c1cccc2ccccc12 1865702879 HJPKXYQXHFYCMP-SANMLTNESA-N 464.569 5.985 50 10 JKGE CCCOc1ccccc1[C@H]1C(C#N)=C(N)Oc2c1c(C)nn2-c1ccc(Cl)c(Cl)c1 1865703812 GGGONBUBZFTWCQ-NRFANRHFSA-N 455.345 5.495 50 10 JKGE COc1ccc(-c2nn(-c3ccccc3Cl)c3c2[C@@H](c2cccc([N+](=O)[O-])c2)C(C#N)=C(N)O3)cc1 1865706565 ZKRGBTCJUWQWKS-QFIPXVFZSA-N 499.914 5.328 50 10 JKGE COc1ccc(-c2nn(-c3cccc(Cl)c3)c3c2[C@H](c2ccc(C(=O)O)cc2)C(C#N)=C(N)O3)cc1 1865709579 XYOWXHZTIWSWBO-JOCHJYFZSA-N 498.926 5.118 50 10 JKGE COc1ccccc1[C@@H]1C(C#N)=C(N)Oc2c1c(-c1ccccc1)nn2-c1ccc(Cl)cc1 1865709790 GXEZWZNLXYGPQA-JOCHJYFZSA-N 454.917 5.419 50 10 JKGE N#C/C(=C\c1cccc(Cl)c1)C(=O)Nc1c(Br)cc(C#N)cc1Br 1866129893 RFQCJGNXWABXMT-UUILKARUSA-N 465.532 5.282 50 10 JKGE CCN(CCC1(c2ccccc2)CCCCC1)C(=O)/C(C#N)=C/c1ccc(Br)cc1 1866367933 OKCRWHYJGYJCQZ-ZBJSNUHESA-N 465.435 6.497 50 10 JKGE CC(C)[C@H](C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)Nc1ccc(SC#N)cc1)c1ccc(F)cc1 1866966767 CRXNAHVTEFYSKD-DQEYMECFSA-N 491.588 5.210 50 10 JKGE COc1cc2c(cc1OC)N(c1cc(Nc3ccc(SC#N)cc3)nc(-c3ccc(F)cc3)n1)CC2 1868455869 FTHKFTVOQHSPJL-UHFFFAOYSA-N 499.571 6.311 50 10 JKGE COc1cc(/C=C2\Oc3c(ccc(OCc4ccc(CCl)cc4)c3C)C2=O)cc(OC)c1OC 1871436757 OIAAGUNVXUQAED-JJFYIABZSA-N 480.944 5.955 50 10 JKGE COc1cccc(/C=C(\C#N)c2ccc(Cl)cc2F)c1OCc1c(Cl)cccc1Cl 1872729436 KBYULBDOFBYTHO-XNTDXEJSSA-N 462.735 7.438 50 10 JKGE N#C/C(=C(/O)[C@@H]1CC(=O)N(Cc2ccccc2)C1)c1nc(-c2ccc3c(c2)CCCC3)cs1 1872745465 OBGODYFQMPWMMW-BQSZEUOTSA-N 455.583 5.530 50 10 JKGE CCCOc1ccc(-c2csc(/C(C#N)=C(O)/C=C/c3ccc(Cl)c(Cl)c3)n2)cc1 1872749443 ROPWWADUOUCLBZ-OHLRPFLYSA-N 457.382 7.412 50 10 JKGE CCCCc1ccc(N2C[C@H](/C(O)=C(\C#N)c3nc(-c4c(C)cc(C)cc4C)cs3)CC2=O)cc1 1872756963 KDMUWFYQPPEKDI-RVROXKIYSA-N 485.653 6.924 50 10 JKGE Clc1cc(I)c([C@@H](Cl)c2cc(Br)c(Cl)s2)s1 1901020656 HWJKXEUIGSRCAU-ZETCQYMHSA-N 488.424 6.812 50 10 JKGE C[C@H]1CN(Cc2ccccc2)C[C@@H]1Cn1c(CCl)nc2c(Br)cc(F)cc21 1912655603 WXSZOGGHKWPZOM-GOEBONIOSA-N 450.783 5.445 50 10 JKGE CC(C)[C@@H](CBr)N(Cc1ccccc1)C(=O)c1cc(F)ccc1Br 1915297462 HLXQRAOKJZLMAE-GOSISDBHSA-N 457.181 5.650 50 10 JKGE Cc1cc([C@H](Br)c2sc(Br)c(C)c2Br)c(F)cc1F 1922887073 ZQGQHROQFHOWGJ-NSHDSACASA-N 474.990 6.652 50 10 JKGE Clc1ccc([C@@H](Br)c2sc(Br)cc2Br)c(Cl)c1 1922933970 AXAYWUINKQJSQO-SNVBAGLBSA-N 479.846 7.064 50 10 JKGE Clc1cccc(Cl)c1[C@@H](Br)c1sc(Br)cc1Br 1922936498 VUKIXZGYOAGYRE-SNVBAGLBSA-N 479.846 7.064 50 10 JKGE CC(C)(C)c1ccccc1[C@@H](Cl)c1c(Br)sc(Br)c1Cl 1923066656 SKVIZPCTNIEQJM-LLVKDONJSA-N 457.058 7.552 50 10 JKGE Clc1ccc(Br)cc1[C@@H](Br)Cc1ncccc1Br 1924860174 DGSDWMZZDGFPBD-NSHDSACASA-N 454.387 5.939 50 10 JKGE Cc1cc([C@@H](Br)c2csc(Br)c2Br)sc1Cl 1937734297 GNZMMEPSHWKZDM-ZETCQYMHSA-N 465.457 6.781 50 10 JKGE C[C@@H]1C[C@@H]1CC[C@H](Br)c1c(Br)sc(Br)c1Br 1989526086 AIVGZJWIQQEYCT-VQVTYTSYSA-N 495.900 6.908 50 10 JKGE CO[C@@H]1CC[C@@H]([C@H](Br)c2c(Br)sc(Br)c2Cl)C1 2006339783 GJBITQVBZLDYGT-JKMUOGBPSA-N 467.448 6.178 50 10 JKGE FC(F)(F)[C@@H]1C[C@@H]1C[C@H](Br)c1cc(Br)sc1Br 2012965773 UXNRTXPUNGTQRF-QXRNQMCJSA-N 456.947 6.298 50 10 JKGE Cl[C@H](CC12CCC(CC1)C2)c1c(Br)sc(Br)c1Br 2039381173 OKYYXJVZAFHNOR-LPATWVRLSA-N 477.487 7.286 50 10 JKGE Cc1ccccc1P(c1ccccc1C)c1ccc2ccccc2c1-c1c(O)ccc2ccccc12 2060321672 SSRKQUSPJIDZPZ-UHFFFAOYSA-N 482.563 7.741 50 10 JKGE N=C(CCl)NCCC[C@H](NC(=O)c1ccc(/N=N/c2ccccc2)cc1)c1nc2ccccc2[nH]1 2060450588 ZTBNXZDZQAHEDC-HIUQNGLMSA-N 487.995 6.035 50 10 JKGE Cc1c(Br)ccc([C@@H](Cl)c2cn(C)nc2Br)c1Br 2083322252 SYQLUJMJFMNNON-LLVKDONJSA-N 457.391 5.344 50 10 JKGE C[C@]1(C(F)(F)F)C[C@H]1[C@H](Br)c1ccc(Br)cc1Br 2083331446 ZGZUGDNPPHVYDV-GDPRMGEGSA-N 450.918 6.236 50 10 JKGE CC[C@]12CO[C@]([C@H](Br)c3c(Br)sc(Br)c3Cl)(C1)C2 2084491613 VFNOKOHXILBHDC-FXAINCCUSA-N 479.459 6.322 50 10 JKGE O=S(=O)(c1cc(CCl)ccc1Br)N(Cc1ccccc1)CC1CCCC1 2095814610 UUOVKNJITRBNMW-UHFFFAOYSA-N 456.833 5.569 50 10 JKGE COc1ccc([C@H](Br)c2c(Br)sc(C)c2C)c(Br)c1 2101004601 WYQPSOBXZDILTB-ZDUSSCGKSA-N 469.036 6.383 50 10 JKGE FC1(F)[C@H]2CC(CBr)(Cc3ccc(Br)cc3Br)C[C@@H]21 2107635524 YOVNZPCUMALTTE-QWRGUYRKSA-N 458.966 5.811 50 10 JKGE BrC[C@@H]1C[C@H]2CCC[C@@H]2N1Cc1c(Br)cccc1Br 2108394582 PEMLHYWMVPIFMF-ZETOZRRWSA-N 452.028 5.350 50 10 JKGE Cc1cc(Br)c(CBr)c(N2C[C@H]3C[C@@H](CN(Cc4ccccc4)C3)C2)c1 2116806356 QQDHUJKMCXZXKW-OALUTQOASA-N 478.272 5.611 50 10 JKGE Brc1ccc(Br)c(CN2CC[C@@]3(CCC[C@@H]3Br)C2)c1 2118526347 DXDNAGTWLFDIHQ-GJZGRUSLSA-N 452.028 5.351 50 10 JKGE O=C(NCC[C@@H]1CCCC[C@H]1Br)c1csc(Br)c1Br 2123028095 FAYFCHXRNFNDIF-WCBMZHEXSA-N 474.056 5.347 50 10 JKGE Cc1cc(Br)c(C)c([C@@H](Cl)c2cc(Br)sc2C)c1Br 2136383940 KAGHFJKQZIJWQO-AWEZNQCLSA-N 487.482 7.289 50 10 JKGE Cc1c(Br)ccc([C@H](Br)c2cc3cscc3s2)c1Br 2138860138 AOZMLRHLZYXMTI-AWEZNQCLSA-N 481.072 7.281 50 10 JKGE COC[C@]12C[C@]([C@@H](Br)c3sc(Br)c(C)c3Br)(CO1)C2 2141162575 FQSWEEMXGKMALM-DRZSPHRISA-N 475.040 5.213 50 10 JKGE BrCc1ccc(N2CCc3sc(Br)cc3C2)c(Br)c1 2141427319 YMULHWWVGZWMOR-UHFFFAOYSA-N 466.036 5.731 50 10 JKGE Fc1ccc(C(F)(F)F)cc1[C@H](Br)c1sc(Cl)cc1Br 2154475007 FXUBNZZRVWVWSM-JTQLQIEISA-N 452.492 6.806 50 10 JKGE Clc1cc([C@@H](Br)c2cc(Br)c3c(c2)CCCO3)sc1Cl 2156053119 YQTUHOMHPXQCFK-LBPRGKRZSA-N 457.014 6.627 50 10 JKGE Fc1c(COc2cc(Br)ccc2CBr)ccc(Cl)c1Br 2166830978 IZNRJJALUHVMMJ-UHFFFAOYSA-N 487.388 6.478 50 10 JKGE Cc1cc(Br)c(CBr)c(N2CC[C@]3(CCCN(Cc4ccccc4)C3)C2)c1 2173450123 NMHUVXZAGIWKPZ-QHCPKHFHSA-N 492.299 6.145 50 10 JKGE CC(C)(C)[C@@H]1[C@H](Br)CCN1C(=O)c1cc(Br)cc(Br)c1 2185100090 MXLXYEWSMUYEHW-OLZOCXBDSA-N 468.027 5.236 50 10 JKGE FC(F)c1nc(COc2c(Br)cc(CBr)cc2Br)cs1 2188695187 ATKMUEWNYXVBKN-UHFFFAOYSA-N 491.977 6.080 50 10 JKGE Brc1ccc([C@H](CI)O[C@@H]2COC3(CCCC3)C2)cc1 2189462812 QWEGNTHDSUYJAW-GJZGRUSLSA-N 451.142 5.044 50 10 JKGE FC(F)[C@@H]1CN(Cc2ccccc2)C[C@@H]1n1c(CCl)nc2cc(Br)ccc21 2193241497 DFMPJGLMJGRGIJ-QAPCUYQASA-N 454.746 5.476 50 10 JKGE CCCCCc1ccc([C@H](Br)Cc2ccccc2I)s1 2197254906 ABYMIIOHRQZDNL-OAHLLOKOSA-N 463.222 6.764 50 10 JKGE COc1cc2c(cc1Br)nc(CCCl)n2C[C@@H](C)COCc1ccccc1 2202307664 CGVZVPFFXZYYPI-OAHLLOKOSA-N 451.792 5.442 50 10 JKGE Clc1cc(CN2C[C@@H](Br)C3(CCCCC3)C2)ccc1I 2208030390 RTOVHMYWADYXOQ-OAHLLOKOSA-N 468.604 5.474 50 10 JKGE Cc1cc(C(=O)N(Cc2ccccc2)[C@H](C)CCBr)cc(C)c1Br 2214688755 WYFZVCHKSVFVAX-MRXNPFEDSA-N 453.218 5.882 50 10 JKGE Clc1cc(Br)ccc1C[C@H](Cl)c1sccc1I 2215861755 IOKMGTVFEUUPFT-JTQLQIEISA-N 461.977 6.291 50 10 JKGE Sc1nc2cc(Br)c(Br)cc2n1CC1CC(Br)C1 2218592792 VSWZMYPHWQOAAG-UHFFFAOYSA-N 455.013 5.024 50 10 JKGE COc1cc(Br)c([C@@H](Br)c2cscc2Br)cc1C 2220448240 VRLSYXYJQOCTDY-CYBMUJFWSA-N 455.009 6.074 50 10 JKGE Cc1nn(C)c([C@@H](Br)c2c(Cl)sc(Br)c2Cl)c1Cl 2224019463 SPNMFRISAGNBFZ-YFKPBYRVSA-N 453.414 5.997 50 10 JKGE C[C@@H]1C[C@H]([C@@H](Br)c2c(Br)cc(Cl)c(Cl)c2Cl)CCO1 2224308548 XMLGCYVPHKVNOD-OPVBNTEQSA-N 451.413 6.660 50 10 JKGE Cc1cc(Br)c([C@@H](Cl)c2scc(Br)c2C)c(C)c1Br 2227361594 FIJDGIMWMOOAOS-CYBMUJFWSA-N 487.482 7.289 50 10 JKGE Cc1cc(Br)c([C@@H](Cl)c2c(C)c(Br)cc(C)c2Br)s1 2229302232 VILHIJVVEWAJAS-ZDUSSCGKSA-N 487.482 7.289 50 10 JKGE FC(F)(F)[C@@H]1CCO[C@@H]1[C@@H](Br)c1ccc(Br)cc1Br 2231813186 OHKNFGUWHNWIHY-MIMYLULJSA-N 466.917 5.615 50 10 JKGE Clc1cc(Br)c([C@H](Br)[C@@H]2CC23CCOCC3)c(Cl)c1Cl 2232518112 ZQTMKBCLXDFYJE-WRWORJQWSA-N 463.424 6.662 50 10 JKGE Cc1cc(Br)c([C@H](Br)[C@@H]2CC[C@H]3[C@@H]2C3(F)F)c(C)c1Br 2235599695 NJVGFROJRNZQQZ-XSPYEYLBSA-N 472.993 6.556 50 10 JKGE O=C(Nc1ccccc1CCCl)c1ccc(I)c(Br)c1 2238841457 KGVPTMZDWNFEQK-UHFFFAOYSA-N 464.528 5.087 50 10 JKGE CC[C@H](C)NCc1cc(Br)c(OC[C@@H]2C[C@@H]2Br)c(Br)c1 2240226925 ZEIHPMCMPDSDES-DLOVCJGASA-N 470.043 5.262 50 10 JKGE Clc1c(Br)csc1[C@H](Cl)c1cc(Br)ccc1Br 2246484625 ZSKKDQMMKUDBDJ-SECBINFHSA-N 479.846 7.017 50 10 JKGE COc1cc(C[C@@H](Br)c2ccc(Br)cc2)sc1Br 2263740766 LFAOUMQMNUBQNO-LLVKDONJSA-N 455.009 5.960 50 10 JKGE COc1cc(OC)c([C@@H](Br)c2csc(I)c2)cc1Cl 2264470243 DAMVHYRRECVSKA-ZDUSSCGKSA-N 473.557 5.508 50 10 JKGE COc1ccc([C@@H](Cl)Cc2ccc(Br)cc2)cc1I 2269550527 ZVQUQZHVOQVLQM-ZDUSSCGKSA-N 451.529 5.585 50 10 JKGE Fc1cc(F)cc([C@@H](Br)Cc2cc(Br)cc(Br)c2)c1 2277963790 YPJMRUIXNXLMJA-AWEZNQCLSA-N 454.934 6.169 50 10 JKGE COc1ccc([C@@H](Cl)c2cccc(F)c2I)c(Br)c1Cl 2283558770 MIEXAXVRCRTPIB-GFCCVEGCSA-N 489.937 6.183 50 10 JKGE O=C(c1cc(Br)c(Br)s1)N1CCC2(CC[C@H](Br)C2)CC1 2288059272 KLMZVMNQNIRJAL-VIFPVBQESA-N 486.067 5.443 50 10 JKGE COc1ccc(-c2csc(C(C#N)=CNc3cc(OC)c([N+](=O)[O-])cc3C)n2)cc1OC 2296050376 AXYZLLYCCCFIEO-UHFFFAOYSA-N 452.492 5.029 50 10 JKGE N#CC(=Cc1c(Oc2ccc(Cl)cc2)nc2ccccn2c1=O)C(=O)Nc1ccc(Cl)cc1 2296719384 KNYMORWRFOHIOZ-UHFFFAOYSA-N 477.307 5.339 50 10 JKGE CCOc1ccccc1NC(SCc1ccccc1C)=C(C#N)C(=O)NCc1ccccc1 2297414576 NCYKTZABXQILSA-UHFFFAOYSA-N 457.599 5.791 50 10 JKGE COc1ccc(OCCOc2ccc(C=C(C#N)C(=O)Nc3nc4ccccc4s3)cc2)cc1 2297499982 BUOJWDFHAKKNBW-UHFFFAOYSA-N 471.538 5.308 50 10 JKGE CCOC(=O)c1ccc(-c2ccc(C=C(C#N)C(=O)Nc3ccc([N+](=O)[O-])cc3Cl)o2)cc1 2297551623 UXUXZDNKKYDRMM-UHFFFAOYSA-N 465.849 5.231 50 10 JKGE C=CCc1cc(C=C(C#N)C(=O)Nc2ccc(C)cc2)cc(OCC)c1OCc1ccc2c(c1)OCO2 2313571334 STHXVSVAJUYOFM-UHFFFAOYSA-N 496.563 5.976 50 10 JKGE Fc1cc(Cl)c(Br)c(Cl)c1[C@@H](Br)c1csc(Br)c1 2313743315 JUGNTDGGIZKRFU-VIFPVBQESA-N 497.836 7.203 50 10 JKGE N#CC(=Cc1ccc(-c2ccc(Cl)c(Cl)c2)o1)C(=O)Nc1cc(Cl)ccc1Cl 2314572349 YZHQBKIJNZRUKA-UHFFFAOYSA-N 452.124 7.106 50 10 JKGE Cc1ccc(C[C@H]2SC(=C(C#N)C(=O)NCc3ccco3)N(c3ccc(C(C)C)cc3)C2=O)cc1C 2314593849 UUDSEBBOHCVNBN-AREMUKBSSA-N 499.636 5.763 50 10 JKGE CCCCNC(=O)C(C#N)=Cc1ccc(OC(=O)[C@@H](C)Oc2ccc(-c3ccccc3)cc2)c(OC)c1 2314785770 KXOVYCVZASUIKW-OAQYLSRUSA-N 498.579 5.558 50 10 JKGE Cc1nc(Br)c([C@@H](Br)c2c(Cl)sc(Br)c2Cl)n1C 2315630310 NFTAXMCWPALQQZ-YFKPBYRVSA-N 497.865 6.106 50 10 JKGE Fc1cccc(CBr)c1Oc1cc(Br)cc(I)c1 2316757056 BQMIWSGKBBOUOL-UHFFFAOYSA-N 485.916 5.880 50 10 JKGE COc1ccc(C(C#N)=Cc2ccc(OC(=O)C=Cc3ccc(C(C)C)cc3)c(OC)c2)cc1 2320506611 NDWZCSABCDKSFE-UHFFFAOYSA-N 453.538 6.510 50 10 JKGE BrCc1ccccc1OCc1ccc(I)c(Br)c1 2325192454 HFRWMKHMKPYSRB-UHFFFAOYSA-N 481.953 5.528 50 10 JKGE CCOC(=O)c1c(NC(=O)C(C#N)=Cc2ccccc2)sc(C(=O)OCCc2ccccc2)c1C 2325311212 ASALZYCKTCTVNO-UHFFFAOYSA-N 488.565 5.178 50 10 JKGE CCC(=CC(=O)N[C@H](Cc1ccccc1)C(=O)Nc1ccc(SC#N)cc1)c1ccc(OC)cc1 2329566607 MXIOBVVBCYQBTK-AREMUKBSSA-N 485.609 5.428 50 10 JKGE COc1ccc(C=C(C#N)S(=O)(=O)c2ccc(Cl)cc2)cc1OCc1ccc(C)cc1 2331030292 XFJQQUPPNZFIQQ-UHFFFAOYSA-N 453.947 5.574 50 10 JKGE COc1cc2nc(C(C#N)=Cc3cccc(OCc4cccc(Cl)c4)c3)nc(O)c2cc1OC 2331042523 IONNWVBSDBRFCU-UHFFFAOYSA-N 473.916 5.649 50 10 JKGE CCc1ccc(-c2csc(C(C#N)=C(O)[C@@H](C)Oc3ccc(Cl)cc3Br)n2)cc1 2331245822 XXFMZQYPZBGVBB-CYBMUJFWSA-N 489.822 7.049 50 10 JKGE C[C@H](Oc1ccc(Cl)cc1Cl)C(O)=C(C#N)c1nc(-c2cccc(Br)c2)cs1 2331279214 WOHJEMGWEJYPMB-NSHDSACASA-N 496.213 7.140 50 10 JKGE N#CC(=C(O)c1cc(C(F)(F)F)cc(C(F)(F)F)c1)c1nc(-c2ccc(Cl)cc2)cs1 2331300470 IKTKHSNOQWVFSX-UHFFFAOYSA-N 474.813 7.451 50 10 JKGE Cc1ccc(-c2csc(C(C#N)=C(O)c3ccc4c(c3)C(=O)N(Cc3ccccn3)C4=O)n2)c(C)c1 2331309076 SREFXBBBHICRDJ-UHFFFAOYSA-N 492.560 5.568 50 10 JKGE CSCC[C@@H](C(O)=C(C#N)c1nc(-c2cccs2)cs1)N1C(=O)c2ccccc2C1=O 2331327517 OPDJWPADNPBKDY-KRWDZBQOSA-N 467.597 5.082 50 10 JKGE CCCCCCOc1ccc(C(O)=C(C#N)c2nc(-c3cc(C(C)(C)C)ccc3C)cs2)cc1 2331396423 WXRAPTRSRDWAQX-UHFFFAOYSA-N 474.670 8.325 50 10 JKGE CCOc1ccccc1OCC(O)=C(C#N)c1nc(-c2cc(Cl)c(OC)c(Cl)c2)cs1 2331397464 FMVMFJGFLVLHBJ-UHFFFAOYSA-N 477.369 6.396 50 10 JKGE CCc1ccc(-c2csc(C(C#N)=Cc3cc(Br)c(OC(C)C)c(OC)c3)n2)cc1 2331417904 ZWCVKZYYBYCAHB-UHFFFAOYSA-N 483.431 6.995 50 10 JKGE COc1c(Cl)cc(Cl)cc1-c1csc(C(C#N)=Cc2ccc(Cl)c([N+](=O)[O-])c2)n1 2331467099 FYARDTGDWXYFAE-UHFFFAOYSA-N 466.733 6.751 50 10 JKGE COc1ccc(-c2csc(C(C#N)=Cc3cccc(Br)c3)n2)c(OC)c1OC 2331491655 ZYCAVBRUKZGQSU-UHFFFAOYSA-N 457.349 5.663 50 10 JKGE Cc1cc(Br)c(C)c([C@H](Br)[C@@H]2C[C@@H]3CC[C@H]2C3)c1Br 2334322001 OGHBHWDDLUOYRG-AZKPJATDSA-N 451.040 6.701 50 10 JKGE Brc1ccc(OCc2ccccc2)c([C@H](Br)[C@@H]2OC[C@H]3CCCC[C@@H]32)c1 2336045594 XPYWRQOLBOLGQE-MPSQCAORSA-N 480.240 6.669 50 10 JKGE COCC1([C@H](Br)c2c(C)cc(Br)c(OC)c2Br)CC1 2339657026 TWNIFRHALYUZNA-CYBMUJFWSA-N 457.000 5.391 50 10 JKGE Cc1cc(Br)c(F)c(Br)c1[C@H](Br)[C@]1(C)CCCOC1 2339685308 SCSHGSCTWLVAHF-UONOGXRCSA-N 458.991 5.912 50 10 JKGE C[C@@](CI)(OCc1cccc(I)c1)c1ccccc1 2341613020 YERSJSIXYLVYEO-INIZCTEOSA-N 478.111 5.158 50 10 JKGE FC1(F)[C@@H]2CC[C@@H]([C@H](Br)c3c(Br)cc(Cl)c(Cl)c3Cl)[C@@H]21 2358399094 QJXFKLAIOCJLHD-LBAYDFSESA-N 469.378 7.137 50 10 JKGE Fc1c([C@H](Br)c2sc(Cl)cc2I)cccc1C(F)(F)F 2363892008 NBEVXNUVFHXMIN-VIFPVBQESA-N 499.492 6.648 50 10 JKGE Clc1ccc(C[C@]2(CBr)C[C@H]3C=C[C@H]2CCC3)cc1I 2363965689 XNEIPCIYTKAKQE-MRRJBJDNSA-N 465.600 6.245 50 10 JKGE Clc1cc(Cl)cc(CC[C@@H](Cl)c2ccc(Cl)c(I)c2)c1 2366893683 XKLBEORHZMMKEC-CYBMUJFWSA-N 459.969 7.164 50 10 JKGE Cn1nc(Br)c(Br)c1[C@@H](Cl)CCc1cc(Cl)cc(Cl)c1 2366900699 XXLAKPQYNNSWID-JTQLQIEISA-N 461.412 6.165 50 10 JKGE Cc1c(CCl)ccc(NCc2ccc(I)c(Br)c2)c1C 2377324492 PAHVZRGPUONVPS-UHFFFAOYSA-N 464.572 6.021 50 10 JKGE Cc1c(Cl)cccc1NC(=O)CCC(=O)NNC(=O)N1c2ccccc2Sc2ccccc21 13988843 WVCBVUNXYUKMLC-UHFFFAOYSA-N 480.977 5.411 50 10 JKGE Cc1ccccc1NC(=O)/C(C#N)=C1/S[C@H](Cc2cccc(Cl)c2)C(=O)N1c1ccccc1C 34744107 BBCLRZTYCJIXLY-RDKICWGTSA-N 488.012 6.022 50 10 JKGE N#CC1=C(N)Oc2cc(OC(=O)c3ccccc3Cl)ccc2[C@H]1c1cccc(Br)c1 38651455 NLLBZXQFIHZIJK-OAQYLSRUSA-N 481.733 5.540 50 10 JKGE Cc1ccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4sc5cc(Cl)ccc5c4Cl)ccc32)o1 38688661 JUWDTRZFOIKSLK-HXUWFJFHSA-N 497.359 6.547 50 10 JKGE COc1ccccc1C(=O)N/N=C1\CCCc2oc(C(=O)Nc3ccc(C(C)C)cc3)c(C)c21 40813162 OXFRGMGYUSADBW-XHLNEMQHSA-N 459.546 5.443 50 10 JKGE N#C/C(=C/c1cc(Br)ccc1OCc1ccccc1F)C(=O)Nc1ccccc1Cl 59117221 VYWHHVUKSXSKQL-BOPFTXTBSA-N 485.740 6.366 50 10 JKGE CCOC(=O)/C(C#N)=C\c1cc(Br)c(OCCOc2ccc(C)c(C)c2)c(OC)c1 89269944 PHSDQELSKODSRW-WQRHYEAKSA-N 474.351 5.002 50 10 JKGE CCn1c2ccccc2c2cc(NC(=O)C/C(C)=N/NC(=O)c3cc(Cl)ccc3O)ccc21 100955498 XDXIZQGNGGDASW-RWPZCVJISA-N 462.937 5.308 50 10 JKGE CCc1cccc(CC)c1N/C(SCc1cccc(C)c1)=C(\C#N)S(=O)(=O)c1ccccc1 104689248 XUFDGMPYHHQMQO-RFBIWTDZSA-N 476.667 6.632 50 10 JKGE COc1ccc(N/C(SCc2ccccc2F)=C(\C#N)S(=O)(=O)c2ccccc2)cc1Cl 104689403 QYVGGYIIZZIALC-FCQUAONHSA-N 488.993 6.000 50 10 JKGE Cc1ccc(C)c(N/C(SCc2ccc(Cl)cc2)=C(\C#N)S(=O)(=O)c2ccccc2)c1 104689445 FTKLMBKLNLTVHC-VHXPQNKSSA-N 469.031 6.469 50 10 JKGE COc1cc(Br)c([C@H](Cl)c2cc(Br)ccc2Cl)cc1OC 109817143 XMNOSMRWBKXPOS-HNNXBMFYSA-N 454.973 6.210 50 10 JKGE Brc1cccc(C[C@@H](Br)c2csc(I)c2)c1 118884451 SZVOYRNHUNPYDZ-LLVKDONJSA-N 471.983 5.794 50 10 JKGE C[C@H]1C[C@@H](O[C@@](C)(CI)c2ccccc2Br)CC[C@H]1C 162413689 VXSUZUFVUJUHHI-FHIRATQRSA-N 451.186 5.941 50 10 JKGE CC(C)Oc1c(Cl)cc(/C=N\NC(=O)c2ccc3[nH]c4c(c3c2)C[C@H](C)CC4)cc1Cl 169891366 UZXRPONEYNBQKT-NPRZVAMDSA-N 458.389 6.151 50 10 JKGE C[C@H](O[Si](C)(C)C)[C@H]1CC[C@H]2[C@@H]3CC[C@H]4C[C@@H](O[Si](C)(C)C)CC[C@]4(C)[C@H]3CC[C@]12C 195753107 PSZRAFDARWUCMW-PERCSONFSA-N 464.883 8.105 50 10 JKGE C=CCN1C(=O)C(C#N)=C(C)/C(=C/c2cn(-c3ccccc3)nc2-c2ccc(OCC)c(C)c2)C1=O 214353083 PAFCKVKWNPNPDS-JLPGSUDCSA-N 478.552 5.025 50 10 JKGE O=C(NCc1ccc(CBr)cc1)c1cc(Br)cc(Br)c1 232485949 PWUAHWDIPLKXPU-UHFFFAOYSA-N 461.979 5.037 50 10 JKGE CCc1ccc([C@H](Cl)c2cc(I)ccc2Br)cc1CC 234171485 NNAIDNDYKHIEPV-KRWDZBQOSA-N 463.584 6.507 50 10 JKGE COc1ccc([C@@H](Cl)c2ccc(Br)cc2Br)c(Br)c1 234980168 OJTJABXRWSTTLH-AWEZNQCLSA-N 469.398 6.311 50 10 JKGE C[C@@H]1[C@@H](NC(=O)[C@H](c2ccc(F)cc2)N(CCc2ccccc2)C(=O)CCl)CCC[C@H]1C 252586127 NRCBDAJWYNIMMC-ICSRYVJKSA-N 459.005 5.118 50 10 JKGE CCCCOc1ccc(C=NNC(=O)c2cc(-c3ccccc3OC)nc3ccccc23)cc1OCC 252641821 ZGHCLNHEKYKCIF-UHFFFAOYSA-N 497.595 6.252 50 10 JKGE CCOc1ccc2nc(Sc3ccc(C=NNC(=O)c4cccc([N+](=O)[O-])c4)o3)sc2c1 254295743 DKEDAYRTHLNDOG-UHFFFAOYSA-N 468.516 5.111 50 10 JKGE O=C(Oc1ccc(C=NNC(=O)[C@H]2CC2(c2ccccc2)c2ccccc2)cc1)c1ccccc1 254790098 DTCOOFSXJIRQMM-HHHXNRCGSA-N 460.533 5.362 50 10 JKGE Cc1cc(Br)c([C@H](Br)[C@@H]2CCCCC2(F)F)cc1Br 392933510 QKDZPYJGYFUSBG-GWCFXTLKSA-N 460.982 6.782 50 10 JKGE C[C@H]1CN(c2ccc(CBr)cc2Br)[C@H](C)[C@@H](C)N1Cc1ccccc1 404274017 MNQLURAHGZOEFJ-GVDBMIGSSA-N 466.261 5.832 50 10 JKGE CCn1nc(C)c(Br)c1COc1cc(Br)ccc1CBr 691449935 MFZWGQXVNDAXKO-UHFFFAOYSA-N 466.999 5.210 50 10 JKGE CN(Cc1ccccc1)[C@H](Cn1c(CCl)nc2cc(Br)c(F)cc21)C1CC1 717997532 OEJJZAOEXTZAOY-HXUWFJFHSA-N 450.783 5.587 50 10 JKGE C[C@@H]1Cc2cc(Br)cc([C@H](Br)c3cscc3Br)c2O1 720022922 DVTIVOKIZUNZOF-UHLUBPPHSA-N 467.020 6.081 50 10 JKGE Cc1cc(C)cc(OCC(=O)NN=C2C(=O)N(C(c3ccccc3)c3ccccc3)c3ccccc32)c1 1083936777 LKGVFQOGEFXWSU-UHFFFAOYSA-N 489.575 5.339 50 10 JKGE O=C(NN=Cc1cc(Cl)ccc1OCc1ccc([N+](=O)[O-])cc1)c1ccccc1Br 1084216829 RXKRFACVALFYSB-UHFFFAOYSA-N 488.725 5.354 50 10 JKGE CC(=NNC(=O)CN(c1cccc(Cl)c1)S(=O)(=O)c1ccccc1)c1ccc(C(C)(C)C)cc1 1084254174 VQAGISUEKHXFHI-UHFFFAOYSA-N 498.048 5.373 50 10 JKGE COc1cccc(C=NNC(=O)c2cccc(Cl)c2)c1OCc1ccc(Cl)cc1Cl 1084298964 RMRBEOLKMMMEAI-UHFFFAOYSA-N 463.748 5.998 50 10 JKGE O=C(NN=Cc1cc(Br)c(Sc2ccc(Cl)cc2)o1)c1ccc(O)cc1 1084436298 GVBQTFVJAVDQSD-UHFFFAOYSA-N 451.729 5.316 50 10 JKGE O=C(NN=Cc1ccc(OCc2cccc([N+](=O)[O-])c2)c(Br)c1)c1cc2ccccc2o1 1084510265 WNBSISLQWIVCQM-UHFFFAOYSA-N 494.301 5.446 50 10 JKGE CCCCc1ccc(NC(=O)c2oc3c(c2C)C(=NNC(=O)c2ccccc2C)CCC3)cc1 1772744078 RVWWUCXHMDPUBN-UHFFFAOYSA-N 457.574 5.962 50 10 JKGE COc1cc(C=NNC(=O)COc2ccc(Cl)cc2C)ccc1OCc1ccccc1C 1772753681 BOIPPWVLUKPKIO-UHFFFAOYSA-N 452.938 5.074 50 10 JKGE O=C(COc1ccc(Br)cc1Br)NN=Cc1ccc(Cl)c(Cl)c1 1772753918 DPIZXUXVBRNOAA-UHFFFAOYSA-N 480.971 5.048 50 10 JKGE CC(C)[C@H]1CC[C@@H](C)C[C@H]1OC(=O)[C@@H](C)Oc1cccnc1NC(=O)Nc1ccc(SC#N)cc1 1858866938 ZUORVCKFPIOEJL-SVVKQXANSA-N 496.633 6.070 50 10 JKGE CCCCOc1ccc([C@H]2C(C#N)=C(N)Oc3c2c(CCC)nn3-c2ccc(C)cc2)cc1OCC 1865686993 HBSISQQHCYEWIG-SANMLTNESA-N 486.616 5.929 50 10 JKGE CCCCCOc1ccc([C@@H]2C(C#N)=C(N)Oc3c2c(CCC)nn3Cc2ccccc2F)cc1 1865689936 GZNMQZYGWPYUHG-RUZDIDTESA-N 474.580 5.810 50 10 JKGE CCCOc1ccc([C@@H]2C(C#N)=C(N)Oc3c2c(C(F)(F)F)nn3-c2cccc(Cl)c2)cc1 1865694034 OBXLSWFTGLSDBL-GOSISDBHSA-N 474.870 5.551 50 10 JKGE CCCOc1ccc([C@@H]2C(C#N)=C(N)Oc3c2c(-c2ccccc2)nn3Cc2cc(C)ccc2C)cc1 1865694668 YXFQNGMVKGDQCX-HHHXNRCGSA-N 490.607 6.222 50 10 JKGE N#CC1=C(N)Oc2c(c(C(F)(F)F)nn2Cc2ccc(Cl)c(Cl)c2)[C@@H]1c1cccs1 1865698198 MXLZJDGWTBWMAR-AWEZNQCLSA-N 471.291 5.537 50 10 JKGE N#CC1=C(N)Oc2c(c(-c3ccccc3)nn2Cc2cccc(Cl)c2)[C@H]1c1c[nH]c2ccccc12 1865699865 FCQFBBOXNHNGOJ-XMMPIXPASA-N 477.955 5.951 50 10 JKGE CCCc1nn(Cc2cc(C)ccc2C)c2c1[C@@H](c1cc(Br)ccc1F)C(C#N)=C(N)O2 1865701863 GXPKZLUPROVTAA-QFIPXVFZSA-N 495.396 5.621 50 10 JKGE COc1ccc(-c2nn(Cc3ccc(C)cc3)c3c2[C@H](c2ccccc2C)C(C#N)=C(N)O3)cc1 1865712566 BQPPBHUBMJSCIG-RUZDIDTESA-N 462.553 5.442 50 10 JKGE COc1ccc(-c2nn(-c3ccc(Cl)cc3)c3c2[C@@H](c2ccc([N+](=O)[O-])cc2)C(C#N)=C(N)O3)cc1 1865712667 DZTWDNOIUSEYSN-QFIPXVFZSA-N 499.914 5.328 50 10 JKGE CCCC[C@H](NC(=O)C[C@H](c1ccc(C)c(C)c1)C1CC1)C(=O)Nc1ccc(SC#N)cc1 1866723099 BHGNQEYWDVIWSA-DQEYMECFSA-N 463.647 6.074 50 10 JKGE COc1ccc([C@H](C(=O)N[C@H](CCSC)C(=O)Nc2ccc(SC#N)cc2)C2CCCC2)cc1 1867014870 ZUVQSPVXDFVFOT-DNQXCXABSA-N 497.686 5.419 50 10 JKGE COc1cc(/C=C(\C#N)c2nc3ccc(C)cc3[nH]2)ccc1OCc1c(Cl)cccc1Cl 1872728019 KIJIPPGWTRYVOK-GZTJUZNOSA-N 464.352 6.830 50 10 JKGE COc1cccc(-c2csc(/C(C#N)=C(\O)c3ccc4c(c3)C(=O)N(Cc3ccccc3)C4=O)n2)c1 1872744366 OPYQAHOQSDYREL-BZZOAKBMSA-N 493.544 5.565 50 10 JKGE CC(C)C[C@H](/C(O)=C(\C#N)c1nc(-c2ccc3c(c2)CCCC3)cs1)N1C(=O)c2ccccc2C1=O 1872745279 FTSKBNZMVIREQZ-SPICPHANSA-N 497.620 6.192 50 10 JKGE CC[C@H](C)[C@H](/C(O)=C(\C#N)c1nc(-c2ccc(OC)cc2)cs1)N1C(=O)c2ccccc2C1=O 1872745976 LYXHOHJJTPQEKM-LVGNIFRQSA-N 473.554 5.322 50 10 JKGE Cc1ccc(-c2csc(/C(C#N)=C(O)/C(=C/c3ccc(OC(C)C)cc3)c3ccccc3)n2)cc1 1872749599 YZNTTWTXUJTZBC-YLOUKKIVSA-N 478.617 7.939 50 10 JKGE COc1cc(Cl)c(C)cc1-c1csc(/C(C#N)=C(\O)[C@@H]2CC(=O)N([C@@H](C)c3ccccc3)C2)n1 1872756977 LCTMCTCGEITOHK-AETZFVNZSA-N 494.016 6.183 50 10 JKGE COc1ccc(OC)c(-c2csc(/C(C#N)=C(\O)COc3ccc(C)cc3C(C)(C)C)n2)c1 1873920271 BODFKSZLGSCSAG-QOCHGBHMSA-N 464.587 6.305 50 10 JKGE COc1ccc(C)cc1-c1csc(/C(C#N)=C(\O)[C@H](C)Oc2ccc(Cl)cc2Cl)n1 1873920745 JSOFCTKIQCELOV-JPDJOPTESA-N 461.370 6.694 50 10 JKGE O=C(N[C@H](CCBr)COCc1ccccc1)c1cccc(OCc2ccccc2)c1 1902790867 QFKGSFNGKIAFFN-HSZRJFAPSA-N 468.391 5.366 50 10 JKGE Cc1nsc(Br)c1[C@H](Br)c1sc(C)c(Br)c1C 1912932089 LZJPINFUVGRXRO-VIFPVBQESA-N 460.054 6.139 50 10 JKGE FC(F)(F)c1ccc(N(CCCBr)Cc2ccccc2)c(Br)c1 1914652869 KAFISMDFHGMZHZ-UHFFFAOYSA-N 451.124 6.260 50 10 JKGE Cc1sc(C)c(S(=O)(=O)N(Cc2ccccc2)[C@H](C)CCCl)c1Br 1915074995 YVTGWQLULQOSLD-GFCCVEGCSA-N 450.851 5.336 50 10 JKGE CC[C@@H](Br)CN(Cc1ccccc1)S(=O)(=O)c1ccc(Cl)c(F)c1Cl 1915077437 IGHGVKAPYTXILL-CYBMUJFWSA-N 469.203 5.497 50 10 JKGE Cc1c(Br)sc([C@@H](Br)c2ccc3c(c2)OCCO3)c1Br 1922884213 RDLJGDVCMNXUHP-LBPRGKRZSA-N 483.019 5.837 50 10 JKGE Cc1ccc([C@@H](Br)c2c(Br)sc(Br)c2Cl)cc1F 1923038904 LEFNPIWFVDFOQS-SECBINFHSA-N 477.418 6.858 50 10 JKGE Cn1cc([C@H](Cl)c2c(Br)sc(Br)c2Cl)nc1Br 1923054200 BLDNLMLXQAWKDJ-YFKPBYRVSA-N 483.838 5.751 50 10 JKGE FC1(F)[C@H]([C@@H](Cl)c2c(Br)sc(Br)c2Cl)C12CCCC2 1923054292 CVDNJGSGYYECED-POYBYMJQSA-N 454.989 7.032 50 10 JKGE Clc1c(Br)sc(Br)c1[C@H](Br)[C@@]12CCCC[C@H]1CCC2 1923067466 CUXPDTZGEPKXAX-YLGCSUCGSA-N 491.514 7.723 50 10 JKGE Brc1sc(Br)c([C@H](Br)C2CCCCC2)c1Br 1924580091 OJURUSNWFNOWQR-MRVPVSSYSA-N 495.900 7.052 50 10 JKGE Cc1c(Br)sc([C@@H](Br)C(C)(C)CC(F)F)c1Br 2015996852 JKALAONUCHYEBB-SECBINFHSA-N 455.000 6.699 50 10 JKGE CCN[C@H](c1c(Br)sc(Br)c1Cl)[C@H]1C[C@H](Br)C1 2020168005 XVCZVQICRBNGPK-WATHFIQWSA-N 466.464 5.751 50 10 JKGE CCc1sc(Br)cc1[C@@H](Br)c1cccc(Br)c1Cl 2030224411 YFKRHHZETFQBJH-LBPRGKRZSA-N 473.455 6.973 50 10 JKGE Cc1c(Cl)cc([C@@H](Cl)c2cc(Br)c(Br)s2)cc1Br 2048504568 XQIKBXRIVQSHBL-LLVKDONJSA-N 493.873 7.326 50 10 JKGE CC1(C)CC[C@@H](NCCSSCCNC(=O)OC(C)(C)C)[C@@H](CNC(=O)OC(C)(C)C)C1 2061269954 INZIYBPWRHBQKH-QZTJIDSGSA-N 491.764 5.202 50 10 JKGE FC(F)([C@@H]1CCOC1)[C@H](Cl)c1c(Br)sc(Br)c1Br 2065535540 HSMPLXWMNQAAKV-CLZZGJSISA-N 489.401 5.987 50 10 JKGE Cl[C@@H](c1ccc(CC2CC2)s1)c1cc(Br)ccc1I 2087644967 AGDJABFKPXVMRJ-OAHLLOKOSA-N 467.597 6.396 50 10 JKGE CC(C)(CO[C@H](CI)c1cccc(Br)c1)C(F)(F)F 2094246260 IPPWZHYCEZXKBV-LLVKDONJSA-N 451.064 5.530 50 10 JKGE Fc1c(Br)cccc1Oc1c(CBr)ccc(Br)c1Cl 2098109549 IUTSBIJSTIHWIW-UHFFFAOYSA-N 473.361 6.691 50 10 JKGE Cc1c(Br)sc([C@H](Br)[C@@H]2[C@H]3CCCC(F)(F)[C@@H]32)c1Br 2114393744 UEBIRUNNZMFVDF-BDNRQGISSA-N 479.022 6.699 50 10 JKGE C[C@H]1CN(Cc2c(Br)cccc2Br)CC[C@H]1CCBr 2115840412 AYURXABDGLKLPO-NWDGAFQWSA-N 454.044 5.455 50 10 JKGE Clc1ccc(OCc2cc(Br)ccc2Br)c(CBr)c1 2118519234 HXBAHKKTADTFSJ-UHFFFAOYSA-N 469.398 6.339 50 10 JKGE CC(C)(C)[C@H]1[C@@H](Br)CCN1C(=O)c1cc(Br)sc1Br 2128677171 BBGMYVQRUHALIF-WCBMZHEXSA-N 474.056 5.297 50 10 JKGE COC[C@]1([C@H](Br)c2ccc(Br)c(C)c2Br)CCCO1 2138867640 XXDJCUSZVLWHLT-KGLIPLIRSA-N 457.000 5.152 50 10 JKGE Cc1cc([C@@H](Br)c2ccc(Br)cc2I)cc(C)c1F 2142288159 QSVPUEMCZMIJFC-CQSZACIVSA-N 497.971 6.294 50 10 JKGE Cc1cc(COc2c(Br)cc(CBr)cc2Br)ccc1Cl 2145589628 MAAZEUQGCNUSFT-UHFFFAOYSA-N 483.425 6.647 50 10 JKGE CC1(C)C[C@@H](n2c(CCl)nc3c(Br)cc(F)cc32)CN1Cc1ccccc1 2154533647 BGKGAZVEIVUKBR-MRXNPFEDSA-N 450.783 5.902 50 10 JKGE CC1(C)C[C@H](n2c(CCl)nc3cc(I)c(F)cc32)CN1Cc1ccccc1 2154535149 OSBGXYGKCYIOJZ-HNNXBMFYSA-N 497.783 5.744 50 10 JKGE O=C(c1ccc(Br)cc1Br)N(CCBr)Cc1cccs1 2171090422 IQVQRJJKBJSKFR-UHFFFAOYSA-N 482.035 5.310 50 10 JKGE O=C(NC12CCC(CBr)(CC1)C2)c1cc(Br)cc(Br)c1 2189330699 HOQSIPIUBFQOBP-UHFFFAOYSA-N 466.011 5.039 50 10 JKGE CCC1CCC(COc2c(Br)cc(CBr)cc2Br)CC1 2193010381 ZUNOFESEPBSZGQ-UHFFFAOYSA-N 469.055 6.702 50 10 JKGE CC[C@@H](N)Cc1cc(Br)c(OC[C@H]2C[C@H](Br)C2)c(Br)c1 2196937983 MWHOTSWGTBZLNX-IJLUTSLNSA-N 470.043 5.044 50 10 JKGE C[C@@H](Cl)c1nc2cc(I)c(F)cc2n1C[C@H]1C[C@@H](Br)C1 2196942113 IZVVQAGJYNUGHB-HLTSFMKQSA-N 471.539 5.253 50 10 JKGE Brc1ccccc1[C@@H](CI)O[C@@H]1CCOC2(CCC2)C1 2197371535 ZBEHRJOVJWHTEM-IUODEOHRSA-N 451.142 5.044 50 10 JKGE Cc1cc(Br)c(C)c([C@H](Br)Cc2ccccc2F)c1Br 2201072862 KSHFXJHGYBJYFT-CYBMUJFWSA-N 464.998 6.646 50 10 JKGE COc1cc(F)c([C@@H](Br)c2ccc(Br)c(C)c2)cc1Br 2202903866 KBJXKJXYHSVPTQ-HNNXBMFYSA-N 466.970 6.152 50 10 JKGE COc1c(C)cc(Br)cc1[C@@H](Br)c1ccc(Cl)cc1Br 2206565082 GDHQEMHHDJICJX-AWEZNQCLSA-N 483.425 6.666 50 10 JKGE Clc1cc(Br)c([C@H](Br)C2(Br)CC2)c(Cl)c1Cl 2210130973 CLFZSBASDLQRNM-VIFPVBQESA-N 472.229 6.773 50 10 JKGE CC(C)N1C[C@@H](c2sc(Br)c(Br)c2Br)[C@@H](Cl)C1 2216390649 CSAYETFQEYBEIG-RQJHMYQMSA-N 466.464 5.451 50 10 JKGE CC[C@@H](CC(F)(F)F)[C@H](Br)c1c(Br)cc(Cl)c(Cl)c1Cl 2232517856 XAVYDIRNRIKUFP-CDUCUWFYSA-N 477.373 7.824 50 10 JKGE C[C@H]1O[C@@]2([C@H](Br)c3c(Br)cc(Cl)c(Cl)c3Cl)CC[C@H]1C2 2232518031 YXSLBKCXWOJVAW-JRXORCGPSA-N 463.424 6.803 50 10 JKGE CCOCc1cc(Br)c([C@H](Br)c2ccc(Br)c(C)c2)s1 2233017920 CVAFNOPAWNRUMB-CQSZACIVSA-N 483.063 6.602 50 10 JKGE COc1cc(Br)c([C@@H](Br)c2ccc(Br)cc2F)cc1C 2236015418 ZNZMJCDETFLYIG-HNNXBMFYSA-N 466.970 6.152 50 10 JKGE Clc1ccc([C@@H](CBr)OCCOCCOCCOCc2ccccc2)cc1 2236088163 CUUXCPYGMQKNJH-OAQYLSRUSA-N 457.792 5.043 50 10 JKGE CCCOc1ccc([C@@H](Br)c2sc(C)cc2Br)cc1Br 2237634186 VAVLXRJGIDPGDR-CQSZACIVSA-N 483.063 6.855 50 10 JKGE C[C@H](CCCl)N(Cc1ccccc1)C(=O)c1ccc(Cl)c(I)c1 2243593424 KVTZWIOWDDZANG-CYBMUJFWSA-N 462.158 5.604 50 10 JKGE Clc1ccc(C[C@H](Br)c2ccc(Cl)c(I)c2)cc1 2256365933 DAJUYTZIMQZDIP-LBPRGKRZSA-N 455.948 6.277 50 10 JKGE Fc1cc(Br)c(F)c(Br)c1[C@@H](Cl)c1ccsc1Br 2259994641 JZDXANFSGSHLKD-VIFPVBQESA-N 481.381 6.642 50 10 JKGE Cc1cc(Br)c([C@H](Br)c2cccc(OCc3ccccc3)c2)c(C)c1F 2264497710 ZPWDUBHIQAFLBN-OAQYLSRUSA-N 478.199 7.268 50 10 JKGE COc1c(Br)cc([C@H](Br)[C@H]2C[C@H](Br)C2)c(OC)c1C 2278019461 QEJRQCJMMFUEAZ-KBVBSXBZSA-N 457.000 5.384 50 10 JKGE Fc1cc(Br)ccc1CO[C@H](CI)c1ccccc1Cl 2281374135 UYQIJFFMMGXMDN-OAHLLOKOSA-N 469.519 5.935 50 10 JKGE Cc1c(Br)cccc1CO[C@H](CI)c1ccc(Cl)cc1 2283656084 WWDFFUBPPNCHKZ-MRXNPFEDSA-N 465.556 6.104 50 10 JKGE Cc1c([C@@H](Cl)c2c(F)cc(Br)c(F)c2Br)c(Br)nn1C 2288359954 SOORUSXGHXPSEY-SNVBAGLBSA-N 493.371 5.622 50 10 JKGE Fc1cc(Br)c(F)c(Br)c1[C@@H](Br)[C@H]1C(F)(F)C12CCC2 2288499452 UIZHXPSFEGYPJN-MWLCHTKSSA-N 480.919 6.361 50 10 JKGE Cc1ccc(Cc2cnc(NC(=O)C(C#N)=Cc3ccc(C(C)(C)C)cc3)s2)cc1Cl 2293038765 YGMODWBXGNHVBR-UHFFFAOYSA-N 450.007 6.539 50 10 JKGE Cc1ccc(OCCOc2ccc(Cl)cc2C=C(C#N)c2ccc(Cl)cc2Cl)cc1 2294593191 DDSLHWJTONHAOD-UHFFFAOYSA-N 458.772 7.477 50 10 JKGE COc1cc(C=C(C#N)c2nn(-c3ccccc3)c(N)c2C#N)cc(OC)c1OCc1ccc(F)cc1 2296400291 OAYXSGSCZLKWGH-UHFFFAOYSA-N 495.514 5.126 50 10 JKGE Cc1c(Cl)cccc1NC(SCc1ccccc1F)=C(C#N)S(=O)(=O)c1ccccc1 2297350102 VUBUKAUZRNVUFR-UHFFFAOYSA-N 472.994 6.299 50 10 JKGE N#CC(=Cc1ccc(OCc2ccc(C(=O)O)cc2)c(Br)c1)c1ccc(F)cc1 2297372692 YYKBAKDVUXEFJL-UHFFFAOYSA-N 452.279 5.930 50 10 JKGE CC1CCC([C@@H](Br)c2cc(Br)ccc2OCc2ccccc2)CC1 2299491053 BLZWQJDRHWRJLR-AEJJIKPWSA-N 452.230 7.290 50 10 JKGE Brc1ccc(OCc2ccccc2)c([C@H](Br)[C@@H]2C[C@@H]3CCC[C@H]32)c1 2299503950 JSNHBQNGIHLYBP-NWUWZPLHSA-N 450.214 6.900 50 10 JKGE FC1(F)CC[C@@H]2[C@H]([C@@H](Br)c3cc(Br)ccc3OCc3ccccc3)[C@@H]21 2314438739 AYCCHIMEGKGSSA-FDPIWHGQSA-N 472.167 6.755 50 10 JKGE N#CC(=Cc1ccc(-c2ccc([N+](=O)[O-])cc2)o1)C(=O)Nc1cc(C(F)(F)F)cc(C(F)(F)F)c1 2314572012 QQQKGIKPDYTWTJ-UHFFFAOYSA-N 495.335 6.438 50 10 JKGE Cc1ccc(C[C@@H]2SC(=C(C#N)C(=O)Nc3ccccc3C)N(c3ccc(C)c(C)c3)C2=O)cc1C 2314591674 AXZZDTWMLIBEDQ-MHZLTWQESA-N 495.648 6.294 50 10 JKGE COc1ccc(N2C(=O)[C@@H](Cc3cccc(C)c3)SC2=C(C#N)C(=O)Nc2ccccc2C)cc1 2314592658 ZPVFPZBDMPVKFB-RUZDIDTESA-N 483.593 5.377 50 10 JKGE Cc1sc([C@@H](Cl)c2c(Br)c(Br)nn2C)c(Br)c1C 2316709203 JDCBWTYMRMUFOD-QMMMGPOBSA-N 477.447 5.714 50 10 JKGE CN(CC[C@H](Br)c1cccs1)Cc1sccc1I 2318213215 LQSVRYHBMGFMBT-JTQLQIEISA-N 456.212 5.372 50 10 JKGE COc1cc(C=C(C#N)c2ccccc2OC)ccc1OC(=O)COc1ccc(Cl)cc1Cl 2318356225 BBXTVFVAAGTGDH-UHFFFAOYSA-N 484.335 6.059 50 10 JKGE Cc1scc([C@@H](Br)c2ccc(F)c(Br)c2F)c1Br 2320486798 TXPWGKDRUZXRFD-JTQLQIEISA-N 460.963 6.344 50 10 JKGE COc1ccc(Br)cc1C=C1Oc2cc(OCc3cccc(CCl)c3)ccc2C1=O 2325360550 SOBSTSNMUHMYFG-UHFFFAOYSA-N 485.761 6.392 50 10 JKGE CCOC(=O)c1c(-c2ccc(C(C)C)cc2)csc1NC(=O)C(C#N)=Cc1ccc(OC)cc1 2329622277 GEZHUUJBOJBDDH-UHFFFAOYSA-N 474.582 6.269 50 10 JKGE CSCC[C@@H](NC(=O)C(C)=Cc1ccccc1Cl)C(=O)Nc1ccc(SC#N)cc1 2330490736 CVBABURSZSAIGK-HXUWFJFHSA-N 460.024 5.193 50 10 JKGE CCc1ccc(-c2csc(C(C#N)=C(O)[C@@H]3CC(=O)N(c4c(CC)cccc4CC)C3)n2)cc1 2331245756 QJUQJAMPMVZIES-JOCHJYFZSA-N 471.626 6.343 50 10 JKGE CC(C)(C)c1ccc(C(=O)NCC(O)=C(C#N)c2nc(-c3ccc(Br)cc3)cs2)cc1 2331259634 FGRVZAOGGQRZMB-UHFFFAOYSA-N 496.430 6.093 50 10 JKGE Cc1ccc(-c2csc(C(C#N)=C(O)c3ccc4c(c3)C(=O)N(C3CCCCC3)C4=O)n2)cc1 2331312395 PTXQUTCGSQIUHI-UHFFFAOYSA-N 469.566 5.997 50 10 JKGE COc1ccc(C(C)(C)C)cc1-c1csc(C(C#N)=C(O)c2ccc(Cl)cc2[N+](=O)[O-])n1 2331351309 IJLAFMOMCYZLOW-UHFFFAOYSA-N 469.950 6.628 50 10 JKGE COc1cc(C(O)=C(C#N)c2nc(-c3c(C)c(C)cc(C)c3C)cs2)cc(OC)c1OC 2331364510 HQYASTLVRBDQMC-UHFFFAOYSA-N 450.560 6.019 50 10 JKGE COc1cc(C=CC(O)=C(C#N)c2nc(-c3cc(C)c(Cl)cc3OC)cs2)ccc1OC(C)=O 2331390372 CLOJPFQGSOOYOL-UHFFFAOYSA-N 496.972 6.221 50 10 JKGE Brc1cc(CN2CC[C@@H]3C[C@@H](Br)CC[C@@H]32)ccc1I 2349824775 AIFWTAJWNUYSIE-XUJVJEKNSA-N 499.028 5.192 50 10 JKGE ClCC1(Cc2ccc(I)c(Br)c2)CC2(CCOC2)C1 2349843022 RCKSGKISJUASNP-UHFFFAOYSA-N 455.561 5.022 50 10 JKGE BrCc1c(OCc2cc(Br)cc(Br)c2)nc2sccn12 2362211141 MWNREQUNBMFJTK-UHFFFAOYSA-N 481.007 5.395 50 10 JKGE CC1(C)C[C@@H](C[C@@H](Br)c2c(Cl)cc(Br)c(F)c2Br)CO1 2362227470 FWRDHNQYYYKUSS-HTQZYQBOSA-N 493.436 6.645 50 10 JKGE Clc1ccc(CO[C@@H]2C[C@H](Br)C23CCCCC3)c(I)c1 2365648778 YCIRKAJBUMYXBG-LSDHHAIUSA-N 469.588 5.948 50 10 JKGE Clc1cc(Cl)cc(CC[C@@H](Br)c2ccc(Cl)c(Br)c2)c1 2366900222 VNPHZIAABPETBW-CYBMUJFWSA-N 457.420 7.478 50 10 JKGE C[C@@H]1CC2CC([C@H](Br)c3c(Cl)cc(Br)c(F)c3Br)(C2)O1 2368129332 URSNDVDLSQXJRE-XXNGCHEGSA-N 491.420 6.398 50 10 JKGE CCCCO[C@H]1[C@@H](OCc2ccc(I)c(Br)c2)C[C@H]1Cl 2377617063 XOBPSKZFLGYCTD-VHDGCEQUSA-N 473.576 5.135 50 10 JKGE CCSc1ccsc1[C@H]1C(C#N)=C(N)N(c2ccccc2F)C2=C1C(=O)CC(C)(C)C2 9982060 FVMALBJUSDNVAY-FQEVSTJZSA-N 453.608 5.940 50 10 JKGE CC[C@H](Oc1ccccc1[C@H](C)CC)C(=O)NNC(=O)c1ccc(NC(=O)c2ccccc2)cc1 10683700 UDLUTPYDPYRTAC-DVECYGJZSA-N 473.573 5.071 50 10 JKGE CC[C@@H](Oc1ccc(-c2ccccc2)cc1)C(=O)NNC(=O)c1sc2ccccc2c1Cl 14768503 SCKXOJZJCSSXGF-HXUWFJFHSA-N 464.974 5.840 50 10 JKGE CC[C@H](C)c1ccc(OCC(=O)NNC(=O)c2sc3ccccc3c2Cl)c(Br)c1 14832243 SPMUSKNNFHKSBU-LBPRGKRZSA-N 495.826 5.671 50 10 JKGE CCOc1cc(/C=N/NC(=O)c2c[nH]c3ccccc23)ccc1OCc1c(F)cccc1Cl 20175955 VEPUCJGSOYJGJT-VFLNYLIXSA-N 465.912 5.702 50 10 JKGE COc1ccc(CCC(=O)Oc2ccc(/C=C(/C#N)c3ccccc3OC)cc2OC)cc1OC 31901984 FXLOBSBYEXZKQK-QNGOZBTKSA-N 473.525 5.323 50 10 JKGE CC(C)c1ccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)[C@H](C)Oc4ccc(F)cc4)ccc32)cc1 38649544 DEGFODVHYHHGPT-QLXKLKPCSA-N 472.516 5.540 50 10 JKGE COc1ccc(C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@H]3c2ccc(C(C)(C)C)cc2)cc1 38649696 BOUWVVFWEVHSBF-VWLOTQADSA-N 454.526 5.430 50 10 JKGE COc1cc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4ccccc4)ccc32)ccc1OCC(C)C 38684090 AITYRIRMQQLDTD-AREMUKBSSA-N 470.525 5.167 50 10 JKGE CC(C)c1ccc(NC(=S)NNC(=O)c2ccc(-c3cc(C(F)(F)F)ccc3Cl)o2)cc1 39892563 ATOWNCGRAUZYAD-UHFFFAOYSA-N 481.927 6.374 50 10 JKGE Cc1c(Cl)cccc1Nc1ncnc(NNC(=O)c2ccc(Cl)cc2Cl)c1[N+](=O)[O-] 40588521 GZGZYJLEZIUUNE-UHFFFAOYSA-N 467.700 5.154 50 10 JKGE Cc1c(C(=O)Nc2cccc(C(F)(F)F)c2)oc2c1/C(=N/NC(=O)c1ccc(O)cc1)CCC2 40812089 BQPZGCHAWMNTSY-RDRPBHBLSA-N 471.435 5.035 50 10 JKGE N#C/C(=C\c1cc(Br)ccc1OCc1ccc(F)cc1)C(=O)Nc1ccccc1F 59117148 OMOKDCFEJOHWBP-GZTJUZNOSA-N 469.285 5.852 50 10 JKGE Cc1ccc(NC(=O)/C(C#N)=C\c2cc(Br)ccc2OCc2ccc([N+](=O)[O-])cc2)cc1 59335797 DWBUJXAFLUWDII-UNOMPAQXSA-N 492.329 5.790 50 10 JKGE Cc1ccc(NC(=O)COc2ccc(/C=C(/C#N)C(=O)Nc3cc(Cl)ccc3C)cc2)cc1 96812284 FNMSOUKEANRWCF-MOSHPQCFSA-N 459.933 5.520 50 10 JKGE COCCCN1C(=O)C(C#N)=C(C)/C(=C\c2ccc(OCc3ccc(Cl)cc3Cl)cc2)C1=O 101335806 VOPGEVNRDGRDDG-CIAFOILYSA-N 485.367 5.201 50 10 JKGE Cc1cccc(N/C=C(\C#N)c2nc(-c3cc4cc(Br)ccc4oc3=O)cs2)c1 102404259 SFYMXVMUPDXKPN-RVDMUPIBSA-N 464.344 5.964 50 10 JKGE N#C/C(=C/c1ccc(OCCOc2ccccc2Cl)cc1)C(=O)Nc1nc2ccccc2s1 102444127 PNWSEIVXRAJZOE-SDXDJHTJSA-N 475.957 5.953 50 10 JKGE COC(=O)c1cc(N/C=C(\C#N)c2nc(-c3ccc4ccccc4c3)cs2)cc(C(=O)OC)c1 102458804 OXHXMBBJHBKSRU-KGENOOAVSA-N 469.522 5.513 50 10 JKGE Cc1ccc(N2C(=O)[C@H](Cc3cccc(Cl)c3)S/C2=C(/C#N)C(=O)Nc2ccc(F)cc2)cc1 102769665 BUWQDXVDDXJDML-YDYXIROLSA-N 491.975 5.853 50 10 JKGE Brc1cc([C@H](Br)C23CC4CC(CC(C4)C2)C3)c(Br)s1 109870251 HAFNLXZOXDUMDF-RRJNDSMWSA-N 469.080 6.926 50 10 JKGE FC(F)(F)c1cc([C@@H](Br)c2sccc2Br)ccc1Br 124627114 YTXIUAZEBWRMMY-SNVBAGLBSA-N 478.953 6.776 50 10 JKGE ClCc1nc2cc(I)ccc2n1-c1ccc(Cl)c(Br)c1 126915650 YYJLFXKQAJOBGX-UHFFFAOYSA-N 481.946 5.785 50 10 JKGE COc1cc(OC)cc([C@@H](Br)c2cc(Br)c(Br)s2)c1 128194263 VSOCIJYLSUOYRS-GFCCVEGCSA-N 471.008 5.775 50 10 JKGE Cc1cc([C@@H](Br)c2c(F)cccc2Br)c(C)cc1Br 161211693 RQXZFZLUDIFNRF-OAHLLOKOSA-N 450.971 6.452 50 10 JKGE COc1cc(/C=C(/C#N)C(=O)NCc2ccco2)ccc1OC(=O)CCc1ccc(C(C)(C)C)cc1 207163950 YIPUCDDTXFQBLI-JWGURIENSA-N 486.568 5.347 50 10 JKGE CC(=O)O[C@@H]1CC[C@]2(C)[C@H]3CC[C@]4(C)C(=O)CC[C@H]4[C@@H]3C[C@@H](Br)[C@]2(Br)C1 211332050 GJUBXVMRZCCIPH-FULCEPRASA-N 490.276 5.421 50 10 JKGE in-vitro CCOc1cc(/C=C2\C(=O)N(C3CCCCC3)C(=O)C(C#N)=C2C)ccc1OCc1ccc(C)cc1 214367739 FXLJMSOXIRJLTI-XYGWBWBKSA-N 484.596 5.898 50 10 JKGE CCCOc1ccc([C@@H](Br)c2ccc(Br)cc2Cl)cc1Br 229010052 MICCHOVHRDOEKL-MRXNPFEDSA-N 497.452 7.138 50 10 JKGE ClCc1nc2cc(Br)ccc2n1-c1ccc(I)cc1Cl 232152601 ZLUXDJOICXPAAI-UHFFFAOYSA-N 481.946 5.785 50 10 JKGE CC(C)c1cc(Br)ccc1Oc1ccc(CBr)cc1Br 232776316 ABVREGQUMIOLJZ-UHFFFAOYSA-N 463.007 7.022 50 10 JKGE COc1cc(Br)c([C@H](Br)c2ccccc2OCc2ccccc2)cc1OC 380546836 OICPTWGKSPFINS-JOCHJYFZSA-N 492.207 6.530 50 10 JKGE C[C@H]([C@H]1CCN(Cc2ccccc2)C1)n1c(CCl)nc2cc(I)c(F)cc21 383367104 HGPHYQGWTIUVLS-ZBFHGGJFSA-N 497.783 5.602 50 10 JKGE C[C@H](CCOCc1ccccc1)n1c(CCl)nc2cc(I)ccc21 389685628 BWOOKFDPXGZJPY-CQSZACIVSA-N 454.739 5.548 50 10 JKGE CC(C)[C@@H](CN(C)Cc1ccccc1)n1c(CCl)nc2cc(I)ccc21 398229703 ZIKPNGCQTYYTPX-HXUWFJFHSA-N 481.809 5.709 50 10 JKGE 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 504163694 JKEJJFJGGOFWEL-CKKODAGSSA-N 491.200 9.245 50 10 JKGE CC(C)(C)[Si](C)(C)OCC[C@H]1CNc2ccccc2N1CCO[Si](C)(C)C(C)(C)C 616582827 ADSOYTVHJRFFTG-FQEVSTJZSA-N 450.816 6.721 50 10 JKGE CC(C)(C)[Si](C)(C)OCCc1ccccc1[C@H]1Cc2ccccc2N(Cc2ccccc2)C1 616670446 GNWFXAAGKYAFSI-MHZLTWQESA-N 457.734 7.597 50 10 JKGE CC1(C)CN(Cc2ccccc2)C[C@H]1n1c(CCl)nc2ccc(F)c(Br)c21 720701302 GUGXHIKCPBBIMM-QGZVFWFLSA-N 450.783 5.760 50 10 JKGE COc1cc(C)c(Br)cc1[C@H](Cl)c1cccc(F)c1I 721697593 KWRNUQZEFURGMC-CQSZACIVSA-N 469.519 5.838 50 10 JKGE C=CCc1cc(C=NNC(=O)CC[C@@H](O)c2ccccc2)ccc1OCc1cccc2ccccc12 1084379952 GJWAKXLCHVUUPP-GDLZYMKVSA-N 478.592 6.111 50 10 JKGE Cc1cc(C=NNC(=O)[C@H](C)Sc2ccc(Cl)cc2)c(C)n1-c1cccc(Cl)c1Cl 1084545851 VTMPHSKOVJLDSU-HNNXBMFYSA-N 480.848 6.685 50 10 JKGE Cc1cccc(C)c1-n1c(C)c(Br)c(C=NNC(=O)COc2ccccc2)c1C 1084547415 WZZSDTDILFZQBZ-UHFFFAOYSA-N 454.368 5.003 50 10 JKGE COc1cc(C=NNC(=O)c2ccccc2Cl)ccc1OCc1ccc(Br)cc1 1084586645 BDRVTSXQWHLZQO-UHFFFAOYSA-N 473.754 5.454 50 10 JKGE Cc1ccccc1NC(=O)c1oc2c(c1C)C(=NNC(=O)c1ccc(Cl)cc1Cl)CCC2 1772748153 NSRACRLJXZXGCY-UHFFFAOYSA-N 470.356 5.926 50 10 JKGE CCOc1ccc([C@H]2C(C#N)=C(N)Oc3c2c(-c2ccccc2)nn3-c2cccc(Cl)c2)cc1 1865694055 OUXWGESXVCHRCL-QHCPKHFHSA-N 468.944 5.810 50 10 JKGE CCCc1nn(Cc2c(F)cccc2Cl)c2c1[C@H](c1cccc(OC)c1OCC)C(C#N)=C(N)O2 1865694626 ZYMOUPATHQPIDF-JOCHJYFZSA-N 496.970 5.302 50 10 JKGE COc1cc([C@@H]2C(C#N)=C(N)Oc3c2c(C(F)(F)F)nn3Cc2ccc(C)cc2)ccc1OC(C)C 1865696672 ITMPDJZVBYIKPO-OAQYLSRUSA-N 498.505 5.273 50 10 JKGE CCCc1nn(Cc2cccc(Cl)c2)c2c1[C@H](c1ccc(Br)cc1)C(C#N)=C(N)O2 1865714463 LCZAZEMDZJVQQI-HXUWFJFHSA-N 483.797 5.518 50 10 JKGE CC(C)CSc1ccc(C(=O)NNC(=O)/C=C/c2ccc(OCc3ccccc3)cc2)cc1 1865758259 RDALSCYCADZYFZ-LICLKQGHSA-N 460.599 5.488 50 10 JKGE N#C/C(=C\c1cccc(Cl)c1)C(=O)Nc1ccc(Br)cc1I 1866129997 VTWHCZWRQFDMQA-IZZDOVSWSA-N 487.522 5.253 50 10 JKGE COc1ccc(C(=O)[C@H]2CCCN2c2cc(Nc3ccc(SC#N)cc3)nc(C)n2)cc1C 1868479858 CGMGTDQVTNUZRM-OAQYLSRUSA-N 459.575 5.271 50 10 JKGE N#C/C(=C(O)\C=C\c1cccc([N+](=O)[O-])c1)c1nc(-c2ccc(-c3ccccc3)cc2)cs1 1872744247 ZSUOVDSCEDQSLP-GNXKPCOCSA-N 451.507 6.891 50 10 JKGE CC[C@H](Cl)CN(Cc1ccccc1)S(=O)(=O)c1c(Cl)cccc1Br 1915107099 VJRONPCPUOCXAL-AWEZNQCLSA-N 451.213 5.311 50 10 JKGE CC(C)[C@@H](CBr)N(Cc1ccccc1)S(=O)(=O)c1ccccc1C(F)(F)F 1915302539 YEJQFHNJWGOTBN-QGZVFWFLSA-N 464.347 5.316 50 10 JKGE O=C(NC[C@H]1CC[C@H](CBr)CC1)c1cc(Br)c(Br)s1 1922689744 JTBGGEDQTOZKNF-KYZUINATSA-N 474.056 5.204 50 10 JKGE Cc1c(Br)sc([C@@H](Br)[C@@H]2[C@H]3[C@H]4CC[C@@H](C4)[C@H]32)c1Br 1922945372 FSHLKVJLBBDMRG-JQLBFFPPSA-N 455.053 6.310 50 10 JKGE Clc1c(Br)sc(Br)c1[C@H](Br)[C@@H]1CC12CCOCC2 1923047224 BGFSXWQEQPVWAW-POYBYMJQSA-N 479.459 6.179 50 10 JKGE Fc1cc(Cl)cc([C@H](Cl)c2c(Br)sc(Br)c2Cl)c1 1923065892 IQQXXDWKEYDAHD-QMMMGPOBSA-N 453.385 7.047 50 10 JKGE Clc1c(Br)sc(Br)c1[C@H](Br)[C@]12CCCC[C@@H]1CCC2 1923067465 CUXPDTZGEPKXAX-YKHWKNEFSA-N 491.514 7.723 50 10 JKGE Cl[C@@H](c1c(Br)sc(Br)c1Br)[C@H]1Cc2ccccc2O1 1924596832 ULLRNLJYYHUVJC-LDYMZIIASA-N 487.438 6.319 50 10 JKGE Cl[C@H](c1ccc(Br)s1)c1csc(Br)c1Br 1930628301 VZINYJVUVPQOJC-QMMMGPOBSA-N 451.430 6.425 50 10 JKGE CCn1cc([C@@H](Br)c2sc(Cl)cc2Br)nc1Br 1948825211 FLCPLVLELSEOEP-MRVPVSSYSA-N 463.420 5.627 50 10 JKGE COC1CC(C[C@H](Cl)c2c(Br)sc(Br)c2Br)C1 2002408899 TYUNHLGLLGPUHH-AHXFUIDQSA-N 467.448 6.131 50 10 JKGE CCc1cc(Br)c([C@H](Cl)c2cccc(C)c2I)s1 2029239352 NWBLLXSWKKSOQR-GFCCVEGCSA-N 455.586 6.314 50 10 JKGE CC1(C)[C@H]2CC[C@@H](C2)[C@H]1[C@@H](Br)c1cc(Br)sc1Br 2029601248 UNOUTBFULGUVRW-OSTYVCCYSA-N 457.069 6.781 50 10 JKGE CCc1nc([C@H](Br)c2cc(Br)c(OC)s2)c(Br)s1 2050331971 UDNRAZHQXPWHMB-MRVPVSSYSA-N 476.053 5.785 50 10 JKGE N#CC(=Cc1cccc2ccccc12)c1nc(-c2cc3cc(Br)ccc3oc2=O)cs1 2053606326 SVZZVBDXJLSADE-UHFFFAOYSA-N 485.362 6.896 50 10 JKGE CC(C)(C)CN(Cc1ccccc1)S(=O)(=O)c1cc(CBr)ccc1Br 2059315187 WFSNJEWXYQIUSD-UHFFFAOYSA-N 489.273 5.581 50 10 JKGE COCc1ccc([C@@H](Br)c2cc(Br)c(Br)s2)cc1 2071271238 OTQSOERRCOIZBS-GFCCVEGCSA-N 455.009 5.904 50 10 JKGE CC(C)(C)OC(=O)N1CCC[C@](CBr)(OCc2cc(Cl)ccc2Br)C1 2080303746 HXLUNJOHWKFEEB-GOSISDBHSA-N 497.655 5.784 50 10 JKGE Cc1nn(C)c(Br)c1[C@@H](Br)c1c(Br)sc(C)c1C 2082883053 CWPBOLQIBOZEFB-JTQLQIEISA-N 457.029 5.416 50 10 JKGE FC(F)c1cscc1[C@H](Br)c1ccc(Br)cc1Br 2083319034 VAMJCUYJUOSWGT-LLVKDONJSA-N 460.963 6.695 50 10 JKGE Clc1cccc([C@H](CBr)Cc2c(Br)cccc2Br)c1 2094095380 LMYZVSCTVBGWCO-NSHDSACASA-N 467.426 6.586 50 10 JKGE FC(F)(F)c1sccc1[C@@H](Br)c1c(Cl)sc(Br)c1Cl 2101413096 GOZRZHHKBNSGLT-RXMQYKEDSA-N 474.976 7.382 50 10 JKGE Clc1c(Br)ccc(CBr)c1N1CC[C@@]2(CCN(Cc3ccccc3)C2)C1 2107029405 HGHQFWZPZDKEDX-OAQYLSRUSA-N 498.690 6.100 50 10 JKGE Cl[C@H](c1c(Br)sc(Br)c1Br)[C@@H]1CCn2ccnc2C1 2108963441 VFZBWNIGISHTKA-LDWIPMOCSA-N 489.458 5.775 50 10 JKGE CC(C)(C)OC(=O)NCCCC[S@@](C)(=O)=NCCCCCCCCCBr 2110300396 AQJVNWRNAGVVTP-AREMUKBSSA-N 455.503 5.515 50 10 JKGE Clc1ccc(Br)cc1C[C@@H](CBr)c1cccc(Br)c1 2110523018 DIADJKDYNWKPKT-LBPRGKRZSA-N 467.426 6.586 50 10 JKGE CN(C(=O)c1cc(Br)sc1Br)[C@@H]1CCCCC[C@H]1Br 2115913627 HDWBHASEDODNGH-NXEZZACHSA-N 474.056 5.441 50 10 JKGE O=S(=O)(c1ccc(CBr)cc1Cl)N(Cc1ccccc1)C1CCCCC1 2123211659 YBTFXFKSROMSDE-UHFFFAOYSA-N 456.833 5.759 50 10 JKGE Cc1cc(Br)c(C)c([C@H](Br)[C@H]2C[C@H]2C(F)(F)F)c1Br 2136372656 VAXMWSRQAWEOOR-JOAULVNJSA-N 464.945 6.463 50 10 JKGE Cc1cc(Cl)cc([C@H](Br)c2ccc(Br)c(C)c2Br)c1 2138853999 RPRWBUARVQBNGN-HNNXBMFYSA-N 467.426 6.966 50 10 JKGE O=C(c1scc(Br)c1Br)N1CCCC[C@H]1CCCBr 2141721926 OSOYXYUDGDSIJI-VIFPVBQESA-N 474.056 5.443 50 10 JKGE COc1cc(Br)c(C)cc1[C@H](Br)c1ccc(Br)cc1F 2145961529 JARNNXVCHDFKPS-OAHLLOKOSA-N 466.970 6.152 50 10 JKGE CC(C)(C)OC(=O)N1CCC[C@@H]([S@@](C)(=O)=NCC2(CBr)CCCCCC2)C1 2163059198 RFSNROHKQRJXAG-XGCWNURASA-N 465.498 5.219 50 10 JKGE CCOc1ccc([C@@H](Br)c2nc(CC)sc2Br)cc1Br 2169487658 IMVYULKBPWCXDN-GFCCVEGCSA-N 484.051 6.114 50 10 JKGE Fc1cc(Br)cc(Oc2ccc(Br)c(F)c2F)c1CBr 2170692852 GKQJBYNFFTYTNO-UHFFFAOYSA-N 474.896 6.316 50 10 JKGE COCc1ccc([C@H](Br)c2cc(Br)c(C)cc2Br)cc1 2191241583 VZMHESUQBWXSBF-INIZCTEOSA-N 463.007 6.151 50 10 JKGE CCC[C@H]1CC[C@H]([C@H](Br)c2cc(Br)c(C)cc2Br)CC1 2192845483 KNFWNGPMWSRDOV-DCGLDWPTSA-N 467.083 7.563 50 10 JKGE Cc1cc(Br)c(C)c([C@H](Br)CC(C2CC2)C2CC2)c1Br 2201062171 LQGSIHHSKIASTF-OAHLLOKOSA-N 465.067 7.091 50 10 JKGE COc1cc2c(cc1Br)nc(CCl)n2C(C)(C)CN(C)Cc1ccccc1 2202321024 WIZFCPXUGDZYAI-UHFFFAOYSA-N 450.808 5.413 50 10 JKGE COc1c(C)cc(Br)cc1[C@H](Br)c1cc(F)cc(Br)c1 2206572912 YJRSOFDGTLNWFH-CQSZACIVSA-N 466.970 6.152 50 10 JKGE COc1c(C)cc(Br)cc1[C@@H](Br)c1nn(C)c(Cl)c1Br 2206588130 XVTMUKOFIHPTOO-SECBINFHSA-N 487.417 5.400 50 10 JKGE Cc1ccc(C(=O)N(Cc2ccccc2)[C@H](CCl)C(C)C)cc1I 2212991370 WTDSJEOLRLMNIP-LJQANCHMSA-N 455.767 5.505 50 10 JKGE CC1(C)C[C@H]([C@@H](Br)c2c(Br)cc(Cl)c(Cl)c2Cl)CO1 2224302639 NKOGFLZQUDXXFF-QUBYGPBYSA-N 451.413 6.660 50 10 JKGE FC(F)(F)COC[C@H](Br)c1c(Br)cc(Cl)c(Cl)c1Cl 2224302996 QVDWKMKNJRMPTM-YFKPBYRVSA-N 465.318 6.424 50 10 JKGE FC1(F)CC(C[C@H](Br)c2c(Br)cc(Cl)c(Cl)c2Cl)C1 2224306529 DPKPVEFKKBCTID-LURJTMIESA-N 457.367 7.281 50 10 JKGE Fc1ccc([C@@H](Cl)c2cc(Br)ccc2I)c(F)c1F 2225928901 YWATXCWRCNTBLL-LLVKDONJSA-N 461.446 5.799 50 10 JKGE COc1cc(F)cc([C@H](Br)c2c(Br)sc(Br)c2Cl)c1 2226031630 AVTNJGSFUXAXAY-VIFPVBQESA-N 493.417 6.559 50 10 JKGE Cc1sc([C@@H](Br)[C@@H](C)c2ccncc2Br)c(C)c1Br 2226084000 IKBIEUYMLDWZNC-CPFSXVBKSA-N 468.052 6.525 50 10 JKGE Cc1c(Br)csc1[C@H](Cl)c1scc(C(F)(F)F)c1Br 2226122795 OINJVTJLBUIPSR-QMMMGPOBSA-N 454.558 6.990 50 10 JKGE C[C@H](Cl)c1nc2c(F)cc(Br)cc2n1[C@H]1CCN(Cc2ccccc2)[C@@H]1C 2232915903 JKDDBJNHABUAKQ-IYOUNJFTSA-N 450.783 6.073 50 10 JKGE CC(C)(C)OC1CC(C[C@@H](Br)c2ccc(Br)cc2Br)C1 2232948720 KGEVPVYQDLEBEC-MMWSSPAHSA-N 469.055 6.631 50 10 JKGE Cc1cc(Br)c([C@H](Br)C23CCC(F)(CC2)C3)c(C)c1Br 2235601327 VMDANZUAUKUHPX-FHERZECASA-N 469.030 6.937 50 10 JKGE Cc1ccc(I)c([C@H](Cl)c2c(C)cc(C)c(Br)c2C)c1 2240997723 VLVHRVDNPUTUCV-KRWDZBQOSA-N 463.584 6.616 50 10 JKGE CC(C)[C@@H](CBr)N(Cc1ccccc1)C(=O)c1cccc(Cl)c1Br 2248095939 JIWMHJBPSLSFOW-QGZVFWFLSA-N 473.636 6.164 50 10 JKGE FC1(F)C[C@H]([C@@H](Br)c2cc(Br)c(Br)s2)C12CCC2 2254863960 QPOAHYZYTGYQKA-HZGVNTEJSA-N 464.995 6.535 50 10 JKGE Cc1sc(Br)cc1[C@@H](Br)c1cc(F)c(Br)cc1Cl 2255970908 YGNZNKUREASXLY-GFCCVEGCSA-N 477.418 6.858 50 10 JKGE Clc1c(Br)csc1[C@H](Cl)c1cc2sc(Br)cc2s1 2263616645 WRQVCUWRFMYVSW-SNVBAGLBSA-N 463.068 7.531 50 10 JKGE C[C@@H]1C[C@@H]1CCCCOc1c(Br)cc(Br)cc1CBr 2265725896 RXIHYSRXJAQLPX-MNOVXSKESA-N 455.028 6.312 50 10 JKGE Cc1cc(F)c(Br)cc1[C@@H](Cl)c1c(Cl)sc(Br)c1Cl 2270428483 BHTFVAHPJLJDOK-SECBINFHSA-N 467.412 7.356 50 10 JKGE COc1cc(C)c(Br)c(C)c1[C@@H](Br)c1cocc1Br 2270461924 WAKBPFZVFQHMHW-AWEZNQCLSA-N 452.968 5.914 50 10 JKGE COc1ccc([C@@H](Br)c2ccsc2C(F)(F)F)cc1I 2284996696 BUEZROHSLZGFQF-LLVKDONJSA-N 477.083 5.864 50 10 JKGE COc1ccc([C@@H](Br)c2cc(Cl)c(Cl)cc2C)cc1I 2286464039 XHVJHMGMYJTNBG-OAHLLOKOSA-N 485.974 6.399 50 10 JKGE N#CC(=CNc1ccccc1I)c1nc(-c2cccc([N+](=O)[O-])c2)cs1 2295894304 CLWOWALFXAHSFP-UHFFFAOYSA-N 474.283 5.299 50 10 JKGE Clc1ccc(COc2c(Cl)cc(CBr)cc2Cl)cc1Br 2296301157 RKFIDLNFUPLXLN-UHFFFAOYSA-N 459.392 6.883 50 10 JKGE CCCCc1ccc(C[C@H]2SC(=C(C#N)C(=O)Nc3ccccc3)N(c3ccccc3C)C2=O)cc1 2296506793 FOGNDZAHBFTSMJ-HHHXNRCGSA-N 495.648 6.403 50 10 JKGE Cc1cccc(NC(=O)C(C#N)=C2S[C@H](Cc3ccccc3)C(=O)N2c2ccccc2)c1C 2296507216 YSMPWSBYHXXMKD-XMMPIXPASA-N 453.567 5.368 50 10 JKGE COCCCNC(=O)C(C#N)=Cc1cn(-c2ccccc2)nc1-c1ccc(OCCC(C)C)c(C)c1 2296539421 WIGCZHHOUVSVEB-UHFFFAOYSA-N 486.616 5.332 50 10 JKGE CCCOc1ccc(-c2nn(-c3ccccc3)cc2C=C(C#N)c2nc3ccccc3[nH]2)cc1C 2296729528 WAJJGIPCJIDNLD-UHFFFAOYSA-N 459.553 6.577 50 10 JKGE N#CC(=Cc1ccc(OC(=O)C=Cc2ccc([N+](=O)[O-])s2)cc1)c1nc2ccccc2s1 2297476824 WVYMTRWHZYVWNY-UHFFFAOYSA-N 459.508 5.949 50 10 JKGE COc1ccc2nc(Cl)c(C=C(C#N)c3nc(-c4ccc(Cl)c(Cl)c4)cs3)cc2c1 2297624106 NDLKBDIVWUDDAK-UHFFFAOYSA-N 472.784 7.391 50 10 JKGE Cc1cc([C@@H](Br)c2ccc(OCc3ccccc3)cc2Br)oc1C 2299491659 AIVAUFIAYWQASF-FQEVSTJZSA-N 450.170 6.722 50 10 JKGE Brc1ccc(OCc2ccccc2)c([C@H](Br)C2CC3(CCC3)C2)c1 2299502481 XEJIDXNQRXRCDX-HXUWFJFHSA-N 450.214 7.044 50 10 JKGE Fc1c(Br)cc(Cl)c([C@@H](Br)[C@@H]2CCOC2)c1Br 2300170810 RLDOXHUFLHAWLG-ANLVUFKYSA-N 451.355 5.477 50 10 JKGE COC1([C@@H](Br)c2sc(Cl)cc2I)CC(CF)C1 2301084380 SCTNJENIAGDTPC-JEWWZCJESA-N 453.542 5.207 50 10 JKGE CCOc1cc(C=C(C#N)C(=O)Nc2cccc(C)c2C)cc(I)c1OCC 2313518151 NKOHXQFYAWPAPJ-UHFFFAOYSA-N 490.341 5.251 50 10 JKGE COC(=O)c1ccc(C)c(-c2ccc(C=C(C#N)C(=O)Nc3cccc(Cl)c3Cl)o2)c1 2313570617 BFDBFRYCFRWSEY-UHFFFAOYSA-N 455.297 5.894 50 10 JKGE C=CCc1cc(C=C(C#N)C(=O)Nc2cccc(Cl)c2Cl)ccc1OCc1ccccc1 2313571432 WGTGUOAOXGZWFF-UHFFFAOYSA-N 463.364 6.847 50 10 JKGE N#CC(=Cc1cn(Cc2c(F)cccc2Cl)c2ccccc12)C(=O)NCc1ccc2c(c1)OCO2 2313624168 OEYLPKWVMRERSM-UHFFFAOYSA-N 487.918 5.434 50 10 JKGE COc1cccc(C=C(C#N)C(=O)Nc2cccc([N+](=O)[O-])c2)c1OCc1ccc(Cl)cc1Cl 2313676707 VWZNQRDQYHJVLL-UHFFFAOYSA-N 498.322 6.035 50 10 JKGE N#CC(=Cc1ccc(-c2c(Cl)cccc2Cl)o1)c1nc(-c2ccc(Cl)cc2)cs1 2314456849 CEQNRQJYOVBBOW-UHFFFAOYSA-N 457.769 8.094 50 10 JKGE Cc1sc2nc(C(C#N)=Cc3ccc(-c4ccc([N+](=O)[O-])cc4Cl)o3)nc(O)c2c1C 2314456968 NEBZKVRHEPIKTD-UHFFFAOYSA-N 452.879 5.900 50 10 JKGE Cc1ccc(NC(=O)C(C#N)=C2S[C@H](Cc3ccc(F)cc3)C(=O)N2c2ccc(C(C)C)cc2)cc1 2314592640 ZGCJICULIDFELI-AREMUKBSSA-N 499.611 6.323 50 10 JKGE CCCCCCN1C(=O)C(=Cc2ccc(OCc3ccc(Cl)cc3Cl)cc2)C(C)=C(C#N)C1=O 2314611496 VPVTTZSFAOMJDU-UHFFFAOYSA-N 497.422 6.745 50 10 JKGE Fc1c(Br)cc(Cl)c([C@H](Br)[C@@H]2CC[C@H]3C[C@H]32)c1Br 2315450610 FXKQCHFQNMXTIA-ZSJKCOSDSA-N 461.394 6.486 50 10 JKGE ClC[C@H](Cc1ccc(Br)cc1)Cc1sccc1I 2316736998 RYLJGDTYSGYJRP-LLVKDONJSA-N 455.586 5.755 50 10 JKGE COc1cc(C=C(C#N)c2ccccc2OC)ccc1OC(=O)c1cc(OC)c(OC)c(OC)c1 2320507086 YIZNANVOGYGWML-UHFFFAOYSA-N 475.497 5.013 50 10 JKGE CCCCCOc1ccc(C=NNC(=O)c2ccc3nc(-c4ccccc4)[nH]c3c2)cc1OC 2323744681 YBGIZJGNTPOLOC-UHFFFAOYSA-N 456.546 5.571 50 10 JKGE Cc1ccc2nc(-c3ccc(NC=C(C#N)C(=O)NCc4ccccc4Cl)cc3)sc2c1 2324706207 AGUPTKRYWAMZBT-UHFFFAOYSA-N 458.974 6.061 50 10 JKGE CCOc1ccc(C)cc1[C@@H](C)NC(=O)C(C#N)=CNc1ccc(-c2nc3ccc(C)cc3s2)cc1 2325075955 SLTQXOFGISGNQH-HXUWFJFHSA-N 496.636 6.676 50 10 JKGE CC[C@@H](Br)CN(Cc1ccc(I)c(Br)c1)C1CC1 2325219780 AZYNSXXUIWKENZ-LLVKDONJSA-N 487.017 5.192 50 10 JKGE Cc1ccc(OCC(O)=C(C#N)c2nc(-c3ccc4c(c3)CCCC4)cs2)c(C(C)(C)C)c1 2331239808 BYMJQLJVFQDXQZ-UHFFFAOYSA-N 458.627 7.167 50 10 JKGE CCOC(=O)c1ccc(N2C[C@H](C(O)=C(C#N)c3nc(-c4ccc(Cl)cc4)cs3)CC2=O)cc1 2331299224 JWYKMPNLJXFUAT-QGZVFWFLSA-N 493.972 5.486 50 10 JKGE CSCC[C@@H](C(O)=C(C#N)c1nc(-c2ccc(C)cc2)cs1)N1C(=O)c2ccccc2C1=O 2331313404 JSEDVDFKTLQCIS-NRFANRHFSA-N 475.595 5.329 50 10 JKGE COc1ccc(Cl)cc1-c1csc(C(C#N)=C(O)C=Cc2ccc(Cl)cc2Cl)n1 2331410768 AUDLXSJHEHZHEG-UHFFFAOYSA-N 463.773 7.285 50 10 JKGE COc1ccc(Cl)cc1-c1csc(C(C#N)=C(O)CCCOc2ccc(Cl)cc2Cl)n1 2331411128 QYEUJSPSZGEGBF-UHFFFAOYSA-N 495.815 7.431 50 10 JKGE CCCCCOc1ccc(C=C(C#N)c2nc(-c3ccc(Cl)cc3Cl)cs2)cc1OC 2331421585 ATACBBUWVJAQEI-UHFFFAOYSA-N 473.425 7.759 50 10 JKGE Cc1cc(Br)c(C)c([C@H](Br)[C@@H]2[C@H]3COCC[C@H]32)c1Br 2332925950 VATQIABZAOBZIY-BILRFKGYSA-N 453.012 5.547 50 10 JKGE CC(C)(C)OC1CC([C@@H](Br)c2cc(Br)ccc2OCc2ccccc2)C1 2336053619 KSRNDLONMTVJNY-QYGXFBIXSA-N 482.256 7.058 50 10 JKGE COc1ccc(C)c([C@@H](Br)c2ccc(OCc3ccccc3)cc2Br)c1 2336076645 AXGKQCQTFBPLMD-QFIPXVFZSA-N 476.208 6.829 50 10 JKGE Cc1cc(Cl)c(Br)cc1[C@@H](Br)c1c(Br)nc(C)n1C 2337283404 OJINVGNRTIGWES-LLVKDONJSA-N 471.418 5.700 50 10 JKGE CO[C@@H]1CC[C@H]1C[C@H](Br)c1c(C)cc(Br)c(F)c1Br 2339655731 GVICORKYMJRDTO-ATZCPNFKSA-N 458.991 5.910 50 10 JKGE Cc1cc(Br)c(F)c(Br)c1[C@H](Br)[C@@]1(C)CCCCO1 2339659811 WRIHJYFPHQWLBP-UONOGXRCSA-N 458.991 6.054 50 10 JKGE ClCC12CCC(CC1)N(Cc1ccc(I)c(Br)c1)C2 2349836798 OECMHJOULABSJP-UHFFFAOYSA-N 454.577 5.037 50 10 JKGE ClC[C@]1(Cc2ccc(I)c(Br)c2)CCO[C@@H]1C1CC1 2349841895 LLVDNHFTKHMRQJ-HUUCEWRRSA-N 455.561 5.020 50 10 JKGE Fc1cc([C@@H](Cl)c2cc(Br)ccc2OCc2ccccc2)c(Cl)cc1Cl 2351640337 LARGQCANIJXSOA-HXUWFJFHSA-N 474.584 7.802 50 10 JKGE COc1cc([C@H](Br)c2ccccc2I)c(OC)cc1Cl 2363540895 CBVNYLOBQGRUPU-OAHLLOKOSA-N 467.528 5.446 50 10 JKGE COc1cc([C@H](Cl)c2cc(Br)c(Br)s2)c(OC)cc1Cl 2363541495 JIWWZLWYGIMVSM-LBPRGKRZSA-N 461.002 6.272 50 10 JKGE COc1c(Br)cc(C)c([C@H](Br)[C@@H]2COC(C)(C)C2)c1Br 2365191017 KLIFJKLEUHHYAG-JOYOIKCWSA-N 471.027 5.780 50 10 JKGE Fc1cc(F)c(CBr)c(OCc2ccc(Cl)cc2I)c1 2365648824 YQBJVSKPOMMTNA-UHFFFAOYSA-N 473.482 5.697 50 10 JKGE CC(C)[C@H](Cl)C(C)(C)CN(C)Cc1ccc(I)c(Br)c1 2377352959 MYENOSXQCDPPGG-HNNXBMFYSA-N 472.636 5.775 50 10 JKGE CCSc1sc(CC)cc1[C@H]1C(C#N)=C(N)N(c2cccc(Cl)c2C)C2=C1C(=O)CCC2 9982178 KPIQGPVMHADBKN-QFIPXVFZSA-N 484.090 6.689 50 10 JKGE COc1ccc(CC(=O)Oc2ccc(/C=C(/C#N)c3cccc(Cl)c3)cc2OC)cc1OC 31902423 KOZHUIVFCMLVHF-JAIQZWGSSA-N 463.917 5.578 50 10 JKGE Cc1ccc(-c2nnc(SCC(=O)N/N=C\c3ccc(C(C)C)cc3)n2-c2ccccc2)cc1 33089373 LZFNIQGKCBYOPP-QRQIAZFYSA-N 469.614 5.609 50 10 JKGE Cc1ccc2nc(/C(C#N)=C\c3cn(Cc4ccc(Cl)cc4Cl)nc3-c3ccccc3)[nH]c2c1 33400465 DLEWNEFXUQNUJL-NDENLUEZSA-N 484.390 7.154 50 10 JKGE CCN(CC)c1ccc(/C=C2/CCC(/C=C(/C#N)c3nc4ccccc4[nH]3)=C2N2CCOCC2)cc1 34849217 BCBWLIFFWGSDQY-WPONEWDJSA-N 479.628 5.780 50 10 JKGE O=C(CN(Cc1ccccc1)Cc1ccccc1)N/N=C/c1c2ccccc2cc2ccccc12 35944102 UTCDCSDGHIWWKT-UZWMFBFFSA-N 457.577 6.146 50 10 JKGE C=CCN1C(=O)C(C#N)=C(C)/C(=C\c2ccc(OCc3ccc(Cl)cc3Cl)c(OCC)c2)C1=O 38607781 WLNGCTFIOQTAQX-RGVLZGJSSA-N 497.378 5.749 50 10 JKGE CCCCOc1ccccc1[C@H]1C(C#N)=C(N)Oc2cc(OC(=O)c3cccc(OCCC)c3)ccc21 38683012 LMYUDICKFCUGBN-MUUNZHRXSA-N 498.579 6.092 50 10 JKGE Cc1ccc(NC(=O)/C(C#N)=C/c2c(Oc3cccc(C)c3C)nc3ccccn3c2=O)cc1C 39993069 ORCDBIJFWPKUBU-RCCKNPSSSA-N 464.525 5.266 50 10 JKGE Cc1c(C(=O)NC2CCCCC2)oc2c1/C(=N/NC(=O)c1ccc(Cl)cc1Cl)CCC2 40813698 GPZGKQHWQJRIBQ-OVVQPSECSA-N 462.377 5.428 50 10 JKGE COc1ccc(NCCCC(=O)N/N=C/c2ccccc2OCc2ccc(Br)cc2)cc1 59507880 ZQZXWVKVMISYJD-OGLMXYFKSA-N 496.405 5.379 50 10 JKGE CC1=C(C#N)C(=O)N(C[C@@H]2CCCO2)C(=O)/C1=C/c1ccc(-c2cccc(Cl)c2Cl)o1 101337205 YPCIBDARUDPALK-ADFUCPMPSA-N 457.313 5.025 50 10 JKGE CC(C)(C)[C@@H]1CCc2c(sc3ncn(CC(=O)/C(C#N)=C4/Nc5ccccc5S4)c(=O)c23)C1 103908261 GJCYXYLLQRDTCA-AWMROSOHSA-N 476.627 5.131 50 10 JKGE FC(F)(F)c1ccc(C[C@H](Br)c2cc(Br)sc2Br)cc1 109870113 DGDSROPPKZQPJC-JTQLQIEISA-N 492.980 6.971 50 10 JKGE C[C@@H](Cl)c1nc2cc(Br)ccc2n1-c1ccc(Br)cc1Br 110429306 KPYOMLXMELKESE-MRVPVSSYSA-N 493.424 6.613 50 10 JKGE Cc1ccc(S(=O)(=O)OC[C@@H](C)[C@H]2CC[C@H]3[C@@H](O[Si](C)(C)C(C)(C)C)CCC[C@]23C)cc1 169878777 YPZVZHFTOWMQHV-OYYBEKNXSA-N 480.787 6.943 50 10 JKGE COc1ccc(Cc2nc3cc(C(=O)N/N=C\c4cccc(Cl)c4Cl)ccc3[nH]2)cc1 169925609 MQVZYQDHOSQBJT-ZMFRSBBQSA-N 453.329 5.233 50 10 JKGE CCn1c(C)c(/C=N/NC(=O)c2ccc3[nH]c(-c4ccccc4Cl)nc3c2)c2ccccc21 169926767 SGAQCJASSJFHGN-RWPZCVJISA-N 455.949 5.930 50 10 JKGE Cc1ccc(N/C=C(/C#N)C(=O)N2CCN(C(c3ccccc3)c3ccccc3)CC2)cc1C 216497571 JCRHYXHHLCPBTC-QLYXXIJNSA-N 450.586 5.057 50 10 JKGE Brc1cc2c(c([C@H](Br)c3ccc(I)cc3)c1)OCC2 228445150 DMEVYNKVMQTYHL-CQSZACIVSA-N 493.964 5.473 50 10 JKGE CCOc1ccc(Br)cc1[C@H](Br)c1cccc(Br)c1Cl 228452778 QFYNPNGJBLIHCE-CQSZACIVSA-N 483.425 6.748 50 10 JKGE CCOc1ccc([C@H](Br)c2cccc(Br)c2F)cc1Br 233791755 IFQRAEDYIOBAJM-AWEZNQCLSA-N 466.970 6.234 50 10 JKGE C[C@@H](Br)c1ccccc1NC(=O)c1cc(Cl)ccc1I 235061545 YGOXGGQBZJGJAJ-SECBINFHSA-N 464.528 5.653 50 10 JKGE Clc1ccc(C[C@H](Br)c2cc(Br)cc(Br)c2)cc1Cl 236047201 VECZODZVKBZRQZ-LBPRGKRZSA-N 487.844 7.197 50 10 JKGE COc1ccc(N(C(=O)CCl)[C@H](C(=O)N[C@@H]2CCCC[C@H]2C)c2ccc(Cl)cc2)cc1 252586141 NUEHDRUECPZKTP-VZPUWSDOSA-N 463.405 5.357 50 10 JKGE COc1cc(C=NNC(=O)CSc2nc3ccccc3o2)ccc1OCc1cccc(Cl)c1 252612421 ISSZLVMUNHMAFH-UHFFFAOYSA-N 481.961 5.311 50 10 JKGE CC(=NNC(=O)c1ccc(C(=O)NN=C(C)c2cccc3ccccc23)cc1)c1cccc2ccccc12 252624285 PKQAUAVKSUOGHU-UHFFFAOYSA-N 498.586 6.301 50 10 JKGE COc1cc(C=NNC(=O)c2cc(-c3ccccc3OC(C)C)nc3ccccc23)cc(OC)c1OC 252637821 XWZACMQWWAZJMM-UHFFFAOYSA-N 499.567 5.479 50 10 JKGE CC(=NNC(=O)Cc1ccc(Br)cc1)c1ccc(NC(=O)c2ccccc2Cl)cc1 252640183 YQSUNKCJSVSCNC-UHFFFAOYSA-N 484.781 5.438 50 10 JKGE O=C(COc1ccc(OCc2ccccc2)cc1)NN=Cc1ccc(OCc2ccccc2)cc1 254757349 LKISCDGBBKACNM-UHFFFAOYSA-N 466.537 5.374 50 10 JKGE Cl[C@@H](c1csc(Br)c1)c1cc(I)cc2c1OCC2 302515354 NUXNHNMHSCQZHC-LBPRGKRZSA-N 455.542 5.378 50 10 JKGE CCC1CCC(Oc2c(Br)cc(Br)cc2CBr)CC1 311617646 LBJCWUGBROPCPA-UHFFFAOYSA-N 455.028 6.454 50 10 JKGE C[C@H]1C[C@@H](n2c(CCl)nc3cc(I)ccc32)CCN1Cc1ccccc1 379586163 ISYFHRWFJUWWCR-YJBOKZPZSA-N 479.793 5.605 50 10 JKGE Cc1cc(C)c([C@@H](Br)c2cccc(F)c2Br)c(C)c1Br 380246225 OHHDPKYUJWFMTK-INIZCTEOSA-N 464.998 6.760 50 10 JKGE COc1ccc([C@H](Br)c2ccc(OCc3ccccc3)cc2)cc1Br 381446686 OGFFLAOYRWEOLA-OAQYLSRUSA-N 462.181 6.521 50 10 JKGE O=C(OCc1ccccc1)N1C[C@@H](CBr)[C@@H](c2cccc(Br)c2F)C1 382680231 BNXQZRGLYBWNFQ-ZBFHGGJFSA-N 471.164 5.335 50 10 JKGE O=C(OCc1ccccc1)N1C[C@@H](CI)[C@@H](c2cc(Cl)cc(Cl)c2)C1 382693222 QRRBTGUKNFCDBP-CRAIPNDOSA-N 490.168 5.781 50 10 JKGE Fc1cccc(Cl)c1[C@H](Br)c1cc(I)cc2c1OCC2 383216003 LPERNRPMBCKNAM-CQSZACIVSA-N 467.503 5.503 50 10 JKGE Cc1oc(Br)cc1[C@@H](Br)c1scc(C(F)(F)F)c1Br 396621260 XJFRURIISQNOQK-MRVPVSSYSA-N 482.941 6.678 50 10 JKGE C[C@@H](CBr)[C@@H]1CCCCN1C(=O)c1cc(Br)ccc1Br 696707607 BQUSOXNATVOATN-HZMBPMFUSA-N 468.027 5.237 50 10 JKGE CC(C)(CCCBr)CNC(=O)c1scc(Br)c1Br 705410152 QULIGHNIBPJKQK-UHFFFAOYSA-N 462.045 5.204 50 10 JKGE ClCc1nc2cc(I)ccc2n1[C@H]1CCCCCN(Cc2ccccc2)C1 709636946 VAUVWLNFSHMPBD-IBGZPJMESA-N 493.820 5.997 50 10 JKGE Cc1ccc([C@@H](Br)c2ccc(Br)cc2Cl)c(C)c1Br 719534095 FPQZCPCAUJUQMB-OAHLLOKOSA-N 467.426 6.966 50 10 JKGE CCOc1ccc(C(=O)NN=Cc2c(C)n(Cc3ccc(Cl)cc3Cl)c3ccccc23)cc1 1084042870 FEINLMLWUOJFAG-UHFFFAOYSA-N 480.395 6.467 50 10 JKGE C[C@H](Oc1ccc(Cl)cc1Cl)C(=O)NN=C1C(=O)N(C/C=C\c2ccccc2)c2ccccc21 1084114613 NISFBTQCGGONKD-OGDVYIHMSA-N 494.378 5.341 50 10 JKGE Cc1cccc(NC(=O)/C(C#N)=C\c2cc(Br)ccc2OCc2ccc(F)cc2)c1C 1084230507 GFVUBVTUWZFBCI-NDENLUEZSA-N 479.349 6.330 50 10 JKGE CCOP(=O)(OCC)/C(C#N)=C\[C@@H]1[C@@H](C(=O)OCc2cc3c(cc2Cl)OCO3)C1(C)C 1614949351 GJXYBBNLDJLWJR-RBQGYNFSSA-N 469.858 5.058 50 10 JKGE Cc1c(C(=O)Nc2cc(Cl)ccc2Cl)oc2c1C(=NNC(=O)c1ccc(F)cc1)CCC2 1772744821 KOFTWKGGUOTBQZ-UHFFFAOYSA-N 474.319 5.757 50 10 JKGE Cc1c(C(=O)Oc2ccc(F)cc2)oc2c1C(=NNC(=O)c1ccc(Cl)cc1Cl)CCC2 1772745462 ATWWRQGCUAGDAH-UHFFFAOYSA-N 475.303 5.724 50 10 JKGE Cc1c(C(=O)Nc2cccc3ccccc23)oc2c1C(=NNC(=O)c1cccc3ccccc13)CCC2 1772747081 CURQMVCBZIVOTF-UHFFFAOYSA-N 487.559 6.617 50 10 JKGE Cc1c(C(=O)Nc2ccccc2)oc2c1C(=NNC(=O)C(c1ccccc1)c1ccccc1)CCC2 1772747725 FVNAKSVDUVNYQY-UHFFFAOYSA-N 477.564 5.829 50 10 JKGE CCCc1nn(-c2cccc3ccccc23)c2c1[C@@H](c1ccc(O)c(OCC)c1)C(C#N)=C(N)O2 1865681217 HYSPVMANBUWZLL-VWLOTQADSA-N 466.541 5.300 50 10 JKGE CCCCOc1ccc([C@H]2C(C#N)=C(N)Oc3c2c(CCC)nn3-c2ccccc2Cl)cc1 1865691911 DUWQPXFMPQYNLI-QHCPKHFHSA-N 462.981 5.875 50 10 JKGE CC(C)Oc1ccccc1[C@@H]1C(C#N)=C(N)Oc2c1c(-c1ccccc1)nn2-c1ccccc1Cl 1865705089 LTQLLYSRWHZUDR-XMMPIXPASA-N 482.971 6.198 50 10 JKGE CC(C)Oc1ccccc1[C@@H]1C(C#N)=C(N)Oc2c1c(-c1ccccc1)nn2Cc1ccc(F)cc1 1865705268 QFSMCEQUQGEAJP-RUZDIDTESA-N 480.543 5.743 50 10 JKGE CCCn1nc(-c2ccc(OC)cc2)c2c1OC(N)=C(C#N)[C@@H]2c1cccc(OCc2ccccc2)c1 1865712139 QCYWNXDXMJEYMK-SANMLTNESA-N 492.579 5.766 50 10 JKGE CC(C)(C)c1nc(Nc2ccc(SC#N)cc2)cc(N2CCN(C(=O)C3CCCCC3)CC2)n1 1868342787 ZTNUMQNBFMNWJS-UHFFFAOYSA-N 478.666 5.320 50 10 JKGE N#C/C(=C(/O)Cc1ccc(Cl)c(Cl)c1)c1nc(-c2ccc(Cl)c(Cl)c2)cs1 1872748923 SSSLFQBNNWAZIF-PDGQHHTCSA-N 456.181 7.459 50 10 JKGE COc1c(C)cc(C)cc1-c1csc(/C(C#N)=C(\O)CNC(=O)c2ccc(Cl)cc2)n1 1872755096 YHNQALPMSMIFSQ-ZZEZOPTASA-N 453.951 5.312 50 10 JKGE COc1cc(Cl)c(C)cc1-c1csc(/C(C#N)=C(\O)c2ccccc2Br)n1 1872755469 PDUQCFVGOBXMJC-RGEXLXHISA-N 461.768 6.493 50 10 JKGE COc1ccc(Cl)cc1-c1csc(/C(C#N)=C(\O)Cc2cc(Cl)ccc2Cl)n1 1872758617 IPDRTPPRBOIJIZ-SDXDJHTJSA-N 451.762 6.814 50 10 JKGE CCCCCCOc1ccc(/C=C(\C#N)c2nc(-c3cccc([N+](=O)[O-])c3)cs2)cc1OC 1872782998 ZZJBCYIANNRVQT-DEDYPNTBSA-N 463.559 6.750 50 10 JKGE Cc1ccccc1COc1ccc(/C=C(\C#N)c2nc(-c3cccc(Br)c3)cs2)cc1 1872784140 FCWCCPFTXKDIJB-LPYMAVHISA-N 487.422 7.524 50 10 JKGE COc1c(Cl)cc(Cl)cc1-c1csc(/C(C#N)=C/c2ccc(Cl)cc2Cl)n1 1872792918 XNMMXYDDBHBTIJ-NYYWCZLTSA-N 456.181 7.496 50 10 JKGE COc1ccc([C@H](Br)c2c(C)nsc2Br)cc1Br 1912973394 RKPARAXQCMCVCY-NSHDSACASA-N 455.997 5.469 50 10 JKGE Fc1ccc(Br)c(F)c1CN(Cc1ccccc1)[C@H](CBr)C1CC1 1915215384 CKSPVERZLIKSQI-GOSISDBHSA-N 459.172 5.903 50 10 JKGE O=C(c1cc(O)cc(Br)c1)N(Cc1ccccc1)C1(CBr)CCC1 1915766154 VXNSBVGIABPAEY-UHFFFAOYSA-N 453.174 5.115 50 10 JKGE COc1cccc([C@@H](Br)c2sc(Br)cc2Br)c1F 1922895905 ALMVKFXGWANKBB-SNVBAGLBSA-N 458.972 5.905 50 10 JKGE Brc1cc(Br)c([C@H](Br)c2ccoc2Br)s1 1922921944 WOCPBLFAMLWFCV-SSDOTTSWSA-N 479.813 6.113 50 10 JKGE CCc1occ(C)c1[C@H](Br)c1sc(Br)c(C)c1Br 1922936027 UHVDVSUSQOYXQW-NSHDSACASA-N 457.025 6.530 50 10 JKGE Brc1cc(Br)c([C@H](Br)[C@H]2C[C@@H]2c2ccccc2)s1 1922943030 UCCAUYTVJXZUED-GBIKHYSHSA-N 451.021 6.513 50 10 JKGE C[C@@H]1CCC[C@@H]([C@@H](Cl)c2c(Br)sc(Br)c2Br)C1 1924605764 WVJWIUIWQFRIJA-BRDIYROLSA-N 465.476 7.142 50 10 JKGE C[C@@H](C1CCC1)[C@H](Br)c1c(Br)sc(Br)c1Br 1924607933 AYHNZEUWXBLYDL-XNCJUZBTSA-N 495.900 6.908 50 10 JKGE COc1sc([C@H](Br)c2ccc(I)cc2)cc1Br 1946721763 QQZUXGGWMWBKRN-LLVKDONJSA-N 487.982 5.608 50 10 JKGE Clc1cc(Br)c([C@H](Br)c2ccc(Br)cc2Cl)s1 1948829822 XRXYXEPKBVOZJU-SNVBAGLBSA-N 479.846 7.064 50 10 JKGE Cc1c(Br)sc([C@@H](Cl)c2nn(C)c(Cl)c2Br)c1Br 2048154807 FYEWXOKCFQHQMO-LURJTMIESA-N 497.865 6.059 50 10 JKGE Cc1c(Br)sc([C@H](Br)[C@H]2CCCC23CCC3)c1Br 2053378663 SHYVUKCGEOQMPU-MWLCHTKSSA-N 457.069 6.988 50 10 JKGE BrC[C@@H](Cc1cccc(Br)c1)Cc1cnsc1Br 2055665092 DXHJSCQJKNGYOY-JTQLQIEISA-N 454.025 5.464 50 10 JKGE Cc1sc(CBr)cc1S(=O)(=O)N(CCC(F)(F)F)Cc1ccccc1 2059284639 NSGZEQCMACXOJT-UHFFFAOYSA-N 456.349 5.095 50 10 JKGE N#CC(=C(Nc1ccc(F)cc1F)SCC(=O)N1CCCCCC1)c1nc2ccccc2s1 2059868286 CDVRCMPVACSXBO-UHFFFAOYSA-N 484.597 6.015 50 10 JKGE Fc1cccc(I)c1Cn1nc(-c2ccccc2)cc1CBr 2070081025 PGFBVVSFPWQUDB-UHFFFAOYSA-N 471.111 5.237 50 10 JKGE Cc1c(Br)ccc([C@H](Br)c2cccc(Br)c2)c1Br 2083336689 CLBYRSHGBJLHIV-CQSZACIVSA-N 497.850 6.767 50 10 JKGE Brc1ccc(CN2C[C@@H]3CCC[C@H](C2)C3Br)c(Br)c1 2111479761 OGQQCMVQICCDAY-ODOQXGPZSA-N 452.028 5.207 50 10 JKGE ClCCc1nc2cc(Cl)c(Br)cc2n1C1CC(OCc2ccccc2)C1 2112694885 CYAZPEPLJSKTPB-UHFFFAOYSA-N 454.195 6.154 50 10 JKGE C[C@@H](c1ccncc1Br)[C@H](Br)c1c(Cl)cccc1Br 2113162425 HZMZKXBLLRJVLZ-RTHLEPHNSA-N 468.414 6.500 50 10 JKGE Cc1cc(Cl)c([C@@H](Cl)c2ccc(I)c(Br)c2)cc1Cl 2136694735 PKGIKOGDYRQAPL-AWEZNQCLSA-N 490.393 6.997 50 10 JKGE Cc1cc(Br)c(C)c([C@H](Br)[C@]23CO[C@](C)(C2)C3)c1Br 2137918197 FOGNUQFDMGXNTI-KKUMJFAQSA-N 453.012 5.834 50 10 JKGE Brc1cc([C@H](Br)Cc2cc3ccccc3cn2)c(Br)s1 2151356950 PQLPNNOJGQDHFJ-CYBMUJFWSA-N 476.031 6.500 50 10 JKGE Fc1cc(Br)cc(CCl)c1OCc1cc(Br)ccc1Br 2175143030 XBEGFNVYHRJCCP-UHFFFAOYSA-N 487.388 6.431 50 10 JKGE CCn1cc(S(=O)(=O)N(Cc2ccccc2)[C@@H](C)c2cccs2)cc1CBr 2179786601 CMDQFJJELLUWCM-INIZCTEOSA-N 467.454 5.417 50 10 JKGE Cc1cc(Br)c(C)c([C@@H](Br)[C@@H]2OCCOC2(C)C)c1Br 2201074495 RZMNUXKFGQCOHZ-KGLIPLIRSA-N 471.027 5.458 50 10 JKGE Cc1c(Br)ccc([C@H](Br)[C@@H]2Cc3ccccc3O2)c1Br 2203686756 OEUUEDMAVGFNMO-HOCLYGCPSA-N 460.991 5.960 50 10 JKGE ClC[C@H](Cc1ccc(Br)cc1)Cc1ccc(I)c(Cl)c1 2208047373 ZZHQWIFDDSHGMN-CYBMUJFWSA-N 484.002 6.347 50 10 JKGE Cc1sc([C@H](Br)Cc2ncccc2Br)c(Br)c1C 2221827139 UBHUNPFUROPGRZ-SNVBAGLBSA-N 454.025 5.964 50 10 JKGE Cl[C@@H](Cc1sc(Br)c(Br)c1Br)CN1CCCCC1 2222449889 QAOBHJDDIRBMAY-QMMMGPOBSA-N 480.491 5.671 50 10 JKGE CC1(C)CO[C@@H]([C@@H](Br)c2c(Br)cc(Cl)c(Cl)c2Cl)C1 2224303776 BNBCVYNHEAGQJE-PSASIEDQSA-N 451.413 6.660 50 10 JKGE Cc1ccc([C@@H](Cl)c2cc(Br)cc3c2OCC3)cc1I 2232834862 WXOYUNGJIJIRCV-OAHLLOKOSA-N 463.540 5.625 50 10 JKGE Cc1c(Br)ccc([C@@H](Br)[C@H]2C[C@H]3CCC[C@H](C3)C2)c1Br 2233649177 KFMZENFHPJUOAS-LKQDWFRTSA-N 465.067 7.172 50 10 JKGE Cc1cc([C@H](Br)c2c(F)cccc2I)sc1Br 2247988193 RWFBSCYZCNFKHZ-NSHDSACASA-N 489.973 6.047 50 10 JKGE CC(C)CCC[C@@H](C)CCO[C@@](C)(CI)CNC(=O)OC(C)(C)C 2248814991 FUVNXXXZSSWHRZ-APWZRJJASA-N 455.421 5.574 50 10 JKGE FC(F)[C@@H]1CCC[C@H]1[C@H](Br)c1cc(Br)sc1Br 2249237673 LSWNCLDSUIKYPY-KCRUCZTKSA-N 452.984 6.391 50 10 JKGE Clc1c(Br)csc1[C@@H](Br)c1cc(C2CC2)c(Br)s1 2253600884 UGYFWVHJAROOMY-VIFPVBQESA-N 491.495 7.350 50 10 JKGE Brc1cc(Br)c([C@H](Br)C[C@H]2CCCCC23CC3)s1 2253858164 TXOFRKHFROFAQT-NXEZZACHSA-N 457.069 7.070 50 10 JKGE CCC(F)(F)C[C@H](Br)c1c(F)cc(Br)c(F)c1Br 2260000071 WVELNHGHNCQARI-LURJTMIESA-N 456.897 6.361 50 10 JKGE CC[C@@]1([C@@H](Br)c2c(F)cc(Br)c(F)c2Br)CCCO1 2272747875 OXJVTCJLKKZWDU-STQMWFEESA-N 462.954 5.885 50 10 JKGE COC1CC(C[C@@H](Br)c2c(F)cc(Br)c(F)c2Br)C1 2272841343 MIVOXLMVFFMMTK-KAVNDROISA-N 462.954 5.741 50 10 JKGE Cc1cc(Br)c([C@@H](Br)[C@]23COC[C@H](C2)C3)c(C)c1Br 2273077240 DYIHTYHDZAHYGB-VCTAVGKDSA-N 453.012 5.691 50 10 JKGE FC1(F)[C@H]2C[C@H]([C@H](Br)Cc3cc(Br)cc(Br)c3)C[C@H]21 2277954038 VTSGUPXWWPOKHX-WRSRJMLGSA-N 458.966 5.809 50 10 JKGE CCCN[C@H](Cc1cc(Br)cc(Br)c1)[C@H]1C[C@H](Br)C1 2277955136 HCXJJGYTNVPUGM-KCPJHIHWSA-N 454.044 5.296 50 10 JKGE COc1c(Br)cc(Cl)c(C)c1[C@H](Cl)c1ccc(I)cc1 2295374056 ZNKYHPMTLOYBJD-CQSZACIVSA-N 485.974 6.352 50 10 JKGE CCc1nc([C@@H](Cl)c2cc(Cl)cc(Br)c2OC)c(Br)s1 2295378274 NZPBRUOPKHICOX-JTQLQIEISA-N 460.018 6.221 50 10 JKGE CCCCOc1cccc(-c2nn(-c3ccccc3)cc2C=C(C#N)c2nc3ccccc3n2C)c1 2296546202 UCYBXJXISSALJG-UHFFFAOYSA-N 473.580 6.669 50 10 JKGE CC(C)N1CC(=Cc2cccc(Cl)c2)C2=C(C1)[C@@H](c1cccc(Cl)c1)C(C#N)=C(N)O2 2296733096 XMKIULFQILPFQK-QHCPKHFHSA-N 452.385 5.863 50 10 JKGE N#CC(=Cc1c(OCc2ccccc2Cl)ccc2ccccc12)C(=O)Nc1ccc(F)cc1 2297533811 GCRQOONJCWTBOT-UHFFFAOYSA-N 456.904 6.757 50 10 JKGE FC(F)[C@@H]1CCc2c(Br)cc(OCc3ccccc3)cc2[C@@H](Br)C1 2299526517 YMAAJIUREWMXEN-DYVFJYSZSA-N 460.156 6.682 50 10 JKGE Brc1ccc(OCc2ccccc2)c([C@@H](Br)[C@@H]2CCC3(CC3)C2)c1 2299529358 AXNGKVXMVVXKGA-UZLBHIALSA-N 450.214 7.044 50 10 JKGE N#CC(=Cc1ccccc1OCc1ccc(Cl)cc1Cl)C(=O)Nc1ccc(Cl)c(Cl)c1 2313631055 JOJJFZWOZWWANY-UHFFFAOYSA-N 492.189 7.425 50 10 JKGE N#CC(=Cc1cc(Cl)ccc1OCc1ccc(F)cc1)C(=O)Nc1cccc(C(F)(F)F)c1 2313681156 NPODLPGHRGAXOI-UHFFFAOYSA-N 474.841 6.623 50 10 JKGE CCCOc1ccc(-c2nn(-c3ccccc3)cc2C=C(C#N)c2nc(O)c3ccccc3n2)cc1 2314433950 YHBRNGUUXFKYIY-UHFFFAOYSA-N 473.536 6.041 50 10 JKGE CCCCN1C(=O)C(=Cc2ccc(OCc3ccc(Cl)cc3Cl)c(OC)c2)C(C)=C(C#N)C1=O 2314609980 BGJKMRYSRPINEE-UHFFFAOYSA-N 499.394 5.973 50 10 JKGE CC(C)(C)c1ccc(OCCCC(=O)Oc2ccc(C=C(C#N)C(=O)NCc3ccco3)cc2)cc1 2314760131 HMNDOWIKSGPHLG-UHFFFAOYSA-N 486.568 5.565 50 10 JKGE Fc1cc(Cl)c(Br)c(Cl)c1[C@H](Br)c1cnsc1Br 2315641180 HVYDWWMPHGTXJH-SSDOTTSWSA-N 498.824 6.598 50 10 JKGE FC(F)(F)C1([C@@H](Br)c2sc(Cl)cc2I)CCCC1 2316657845 CCKSIAWEHYNDPR-VIFPVBQESA-N 473.523 6.565 50 10 JKGE Cc1c(OCc2cccc(CCl)c2)ccc2c1OC(=Cc1ccc(Cl)c(Cl)c1)C2=O 2325363560 ZRJUBBAVMOUXIU-UHFFFAOYSA-N 459.756 7.236 50 10 JKGE Cc1cc(I)ccc1NC(=O)C(C#N)=CNc1ccc(C(F)(F)F)cc1 2325409418 NRMPPVFFVXTUSB-UHFFFAOYSA-N 471.220 5.077 50 10 JKGE N#CC(=C(O)CNC(=O)c1ccc(Cl)cc1Cl)c1nc(-c2cccc([N+](=O)[O-])c2)cs1 2331232449 NCZCYAXTYRFNJI-UHFFFAOYSA-N 475.313 5.248 50 10 JKGE COc1ccc(-c2csc(C(C#N)=C(O)c3ccc4c(c3)C(=O)N(Cc3ccccc3)C4=O)n2)cc1 2331273759 RCMIQYNLWPRBTA-UHFFFAOYSA-N 493.544 5.565 50 10 JKGE CCCOc1ccc(-c2csc(C(C#N)=C(O)C=Cc3ccc([N+](=O)[O-])cc3)n2)cc1OCCC 2331293499 SHLUHYOXSBZURJ-UHFFFAOYSA-N 491.569 6.802 50 10 JKGE Cc1ccc(C)c(-c2csc(C(C#N)=C(O)[C@H](C)Oc3ccc(Cl)cc3Br)n2)c1 2331319906 ZTDZDQDAWMISHU-AWEZNQCLSA-N 489.822 7.103 50 10 JKGE COc1ccc(Cl)cc1N1C[C@@H](C(O)=C(C#N)c2nc(-c3ccc(C(C)C)cc3)cs2)CC1=O 2331340829 TXSQIRYQMWIUER-SFHVURJKSA-N 494.016 6.441 50 10 JKGE CCCCCCCOc1ccc(-c2csc(C(C#N)=C(O)Cc3ccc(Cl)cc3)n2)cc1 2331344902 XPKKFJKIALWNAE-UHFFFAOYSA-N 467.034 7.848 50 10 JKGE COc1cc(-c2csc(C(C#N)=C(O)c3cc(OC)c(OC)c(OC)c3)n2)c(OC)cc1Cl 2331377164 RXAVLBWUITXORC-UHFFFAOYSA-N 488.949 5.456 50 10 JKGE Cc1ccc(S(=O)(=O)NCC(O)=C(C#N)c2nc(-c3cc(C(C)(C)C)ccc3C)cs2)cc1 2331396760 AQTKXUZSXALZNI-UHFFFAOYSA-N 481.643 5.496 50 10 JKGE C[C@H]([C@@H]1CCCO1)[C@H](Br)c1c(Cl)cc(Br)c(F)c1Br 2337105400 XIUHOWGXJCQEBM-PUMQYWBSSA-N 479.409 6.255 50 10 JKGE Fc1c(Br)cc(Cl)cc1C[C@H](Br)c1ccc(Br)cc1 2337143797 BHKBYWVJGIZUTO-LBPRGKRZSA-N 471.389 6.683 50 10 JKGE Fc1cccc([C@@H](CBr)Cc2ccc(Cl)c(I)c2)c1 2337220466 CZMBDFKBLFYCJM-GFCCVEGCSA-N 453.520 5.805 50 10 JKGE Clc1ccc(C[C@@]2(CBr)CC23CCCCC3)cc1I 2337228119 SWBPKGYFRIPKHS-INIZCTEOSA-N 453.589 6.223 50 10 JKGE C[C@H](c1ccncc1F)[C@@H](Br)c1ccc(I)c(Cl)c1 2344692100 JJEQWBULUCAQPD-XLKFXECMSA-N 454.508 5.718 50 10 JKGE Fc1ccc(CBr)c(OCc2cc(I)ccc2Cl)c1 2352426850 XVJPKCWFDNIAQD-UHFFFAOYSA-N 455.492 5.558 50 10 JKGE C[C@@]1(Nc2ncc(I)cc2Br)C[C@H]2CC[C@H]1C[C@H]2Cl 2352859904 WPTOVGKPOXPPRB-XSPYEYLBSA-N 455.565 5.047 50 10 JKGE Fc1cc(F)c([C@@H](Br)c2cc(Br)c(Br)cc2F)cc1F 2361242324 LTVQHTHCGKVHMN-ZDUSSCGKSA-N 476.887 6.252 50 10 JKGE Clc1cc(I)c([C@H](Cl)c2ccc3cc(Br)ccc3c2)s1 2363891848 LQHINAKCCLMHDX-CQSZACIVSA-N 498.010 7.250 50 10 JKGE COc1c(Br)cc(C)c([C@@H](Cl)c2cccc(Br)c2)c1Br 2365182909 FEIXNHFBJRYFSZ-AWEZNQCLSA-N 483.425 6.619 50 10 JKGE Cc1cc(Br)c(F)c(Br)c1[C@@H](Br)C1CC2(CC(C)C2)C1 2365196977 RNVNDFIRJICLSK-UYVXLXBHSA-N 469.030 6.921 50 10 JKGE CC[C@H]1CC[C@H]([C@H](Br)c2c(C)cc(Br)c(F)c2Br)CC1 2365216012 PYNMBJYPYRYQFB-MJVIPROJSA-N 471.046 7.312 50 10 JKGE CN(Cc1c(Br)cccc1Br)C[C@@](C)(CBr)C(C)(C)C 2380198110 YDJRFLNRCKVLFH-MRXNPFEDSA-N 470.087 6.091 50 10 JKGE CCn1c2ccccc2c2cc(/C=N/NC(=O)c3ccc(OC)c(I)c3)ccc21 12573763 RAQVAVQNJLGWGQ-AFUMVMLFSA-N 497.336 5.192 50 10 JKGE CCCCCCOc1ccc(C(=O)NNC(=O)c2ccc(OCC(C)C)cc2)cc1Br 14640813 FOFHXSZZUPBXKV-UHFFFAOYSA-N 491.426 5.518 50 10 JKGE CCOc1cc(C=NNC(=O)c2cccc(Cl)c2)ccc1OC(=O)c1ccc(Cl)cc1 17299650 DPENKDWYVZYBLI-UHFFFAOYSA-N 457.313 5.375 50 10 JKGE COc1cc(/C=C(/C#N)c2cccc(Cl)c2)ccc1OC(=O)[C@@H](C)N1C(=O)c2ccccc2C1=O 31902400 HUKKUNOQAHWQFU-BKAYVGFPSA-N 486.911 5.003 50 10 JKGE COc1cc(/C=C(/C#N)C(=O)Nc2ccc([N+](=O)[O-])cc2C)ccc1OCc1ccccc1Cl 33738949 HQFPCBGMLYRLQE-UNOMPAQXSA-N 477.904 5.690 50 10 JKGE N#C/C(=C/c1ccccc1OCc1ccc(Br)cc1)C(=O)Nc1ccc([N+](=O)[O-])cc1 34904382 AYZIJYRQRBPIRS-AQTBWJFISA-N 478.302 5.482 50 10 JKGE CCCCN(CC(=O)N1c2ccccc2-n2cccc2[C@H]1c1cccc(Cl)c1)C(=O)[C@H](C)Cl 35708130 LPIPGXXKZQCQHM-AVRWGWEMSA-N 484.427 5.823 50 10 JKGE CCCCCCN1C(=O)C(C#N)=C(C)/C(=C\c2ccc(OCCCCC)c(OCC)c2)C1=O 38604183 WBQXTALUUBNRRS-OQKWZONESA-N 452.595 5.827 50 10 JKGE CCCCOc1cccc(C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@H]3c2ccc(C)cc2)c1 38649265 VFCVEAGJLUGIKX-SANMLTNESA-N 454.526 5.611 50 10 JKGE CCOc1c(Cl)cc(C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@H]3c2ccccc2F)cc1Cl 38652126 DNPWDNWTZZMAAI-QFIPXVFZSA-N 499.325 5.969 50 10 JKGE N#CC1=C(N)Oc2cc(OC(=O)C(c3ccccc3)c3ccccc3)ccc2[C@@H]1c1ccccc1F 38652345 VACRRXHESORGPR-NDEPHWFRSA-N 476.507 5.781 50 10 JKGE CCOc1ccccc1[C@H]1C(C#N)=C(N)Oc2cc(OC(=O)c3oc4cc(C)c(C)cc4c3C)ccc21 38687443 YSAHTBXZDKKEQU-HHHXNRCGSA-N 494.547 6.194 50 10 JKGE Cc1c(C(=O)Nc2ccccc2Br)oc2c1/C(=N/NC(=O)c1ccc(F)cc1)CCC2 40811937 WRFMDNOLMCWDFU-OVVQPSECSA-N 484.325 5.212 50 10 JKGE CCCCCCOc1ccc(/C=N/NC(=O)[C@H](C)Oc2ccc(-c3ccccc3)cc2)cc1OC 40959625 RDMQGBIXLCFOSR-HKJRUITKSA-N 474.601 6.239 50 10 JKGE COc1cc(/C=N/NC(=O)[C@@H](C)Oc2ccc(C(C)(C)C)cc2)ccc1OCc1ccccc1C 40961533 AOELFOPJVGRTMJ-OPKDQHMBSA-N 474.601 5.798 50 10 JKGE COc1cccc(/C=N/NC(=O)CSc2c(Cl)c(Cl)c(Cl)c(Cl)c2Cl)c1O 59155324 MOYNENWJTKDHKC-RREIPUBJSA-N 488.607 5.910 50 10 JKGE Cc1ccc(NC(=O)/C(C#N)=C\c2cc(Br)ccc2OCc2ccccc2Cl)c(C)c1 59201839 WXEUUYXTFQEBCT-NDENLUEZSA-N 495.804 6.844 50 10 JKGE Cc1ccc(-c2ccccc2)n1-c1ccc(C(=O)N/N=C/c2ccc(OCC(C)C)cc2)cc1 59680365 FEQZIMFVRIOPLS-NDZAJKAJSA-N 451.570 6.251 50 10 JKGE C/C(=N/NC(=O)c1ccc(CN(Cc2ccccc2)S(=O)(=O)c2ccccc2)cc1)c1ccccc1 59886812 RCVDBZWFVGAHBO-WMMMYUQOSA-N 497.620 5.232 50 10 JKGE C=C(C)[C@H](O)CC/C(C)=C/C[C@@]12OC(C)(C)[C@H](Cl)C[C@]1(Cl)C(=O)c1c(O)cc(O)cc1C2=O 85593921 MUVCLXZNRJJIGV-BUAVHRCFSA-N 497.415 5.053 50 10 JKGE CCOC(=O)c1cc(C(C)C)sc1NC(=O)/C(C#N)=C\c1cc(Cl)ccc1OCCC(C)C 98063474 FSSGHNNOHLBEMJ-WQRHYEAKSA-N 489.037 6.672 50 10 JKGE CCc1ccc(N2C(=O)[C@H](Cc3cc(C(F)(F)F)ccc3Cl)S/C2=C(/C#N)C(=O)NC)cc1 101240463 OTGKPJPZADAXRY-WDUNQMNWSA-N 493.938 5.093 50 10 JKGE Cc1ccc(N2C(=O)[C@@H](Cc3cccc(Cl)c3)S/C2=C(/C#N)C(=O)Nc2ccccc2)cc1C 101244830 MPQTZSJUTFIXQY-NLTRVXJZSA-N 488.012 6.022 50 10 JKGE COc1cc(N/C=C(/C#N)c2nc(-c3ccc(Br)cc3)cs2)cc(OC)c1OC 102419008 VRDXPPWNGKPVCI-KAMYIIQDSA-N 472.364 5.575 50 10 JKGE O=c1[nH]c2cc(Br)c([C@H](Br)c3cc(Cl)cc(Cl)c3)cc2[nH]1 109884372 FPRHSAMXFNBDMN-CYBMUJFWSA-N 450.945 5.410 50 10 JKGE Clc1ccccc1CC(CBr)(CBr)c1ccc(Br)cc1 118878542 DAUSVVYMJXTLSD-UHFFFAOYSA-N 481.453 6.373 50 10 JKGE CC(C)[Si](OCCC[C@@]1(O)CCCc2cc(O[Si](C)(C)C(C)(C)C)ccc21)(C(C)C)C(C)C 203764566 RSMBDXCSXMLAKB-NDEPHWFRSA-N 492.893 8.567 50 10 JKGE CC(C)(C)[Si](C)(C)OCCOCc1cnc2cc(NC(=O)OCc3ccccc3)ccc2c1 203774840 BDOHMRLXIWAZMB-UHFFFAOYSA-N 466.654 6.522 50 10 JKGE O=C1Cc2cc([C@@H](Br)c3cc(Br)sc3Br)ccc2N1 232453071 IZMZCSDJVBCTRA-GFCCVEGCSA-N 465.992 5.252 50 10 JKGE COc1cccc(C[C@@H](Cl)c2cc(I)ccc2Br)c1 235008140 VRPOSPNNDFNYQU-OAHLLOKOSA-N 451.529 5.585 50 10 JKGE CC(=NNC(=O)c1sc2cc(F)ccc2c1Cl)c1cccc(NC(=O)COc2ccccc2)c1 252608314 HIUGEYGHZHKRGP-UHFFFAOYSA-N 495.963 5.865 50 10 JKGE CC1(C)[C@H]2CC[C@@]1(C)[C@@H](O[C@H](CI)c1ccc(Br)cc1)C2 253135897 RROHUFOZLOBPQH-DNMXQMFDSA-N 463.197 6.157 50 10 JKGE O=C(Nc1cc(Br)ccc1I)c1ccc(CBr)cc1 305930230 BYTBVWHORCJBNT-UHFFFAOYSA-N 494.952 5.201 50 10 JKGE FC1(F)CC[C@@H](CC(CBr)(CBr)c2ccccc2Br)C1 312131231 BXNUCUOMIXHDGT-NSHDSACASA-N 475.009 6.302 50 10 JKGE C[C@H](Cl)c1nc2cc(I)ccc2n1-c1ccc(OCc2ccccc2)cc1 312578800 NKODNBLLCGRXKU-HNNXBMFYSA-N 488.756 6.509 50 10 JKGE Fc1cccc([C@@H](Cl)c2scc(C(F)(F)F)c2Br)c1Br 312844446 OETXIOMWOUYQRM-SNVBAGLBSA-N 452.492 6.759 50 10 JKGE Cc1ccccc1C(CBr)(CBr)Cc1ncccc1Br 380794375 JGMQFKZTGWEFPP-UHFFFAOYSA-N 462.023 5.423 50 10 JKGE O=C(OCc1ccccc1)N1C[C@@H](CI)[C@@H](c2ccc(Cl)c(Cl)c2)C1 382706475 FPPGIKWNYBNZPK-HZPDHXFCSA-N 490.168 5.781 50 10 JKGE Fc1cc(F)c(F)c([C@@H](Br)c2cc(Cl)ccc2I)c1F 395956780 BEHLWFOJLDUBIG-NSHDSACASA-N 479.436 5.985 50 10 JKGE CC(C)(C)[Si](C)(C)OCCc1ccc([C@@H]2CCCCN2CCO[Si](C)(C)C(C)(C)C)cc1 616611734 UUBXFZLTLKOUDV-VWLOTQADSA-N 477.882 7.800 50 10 JKGE CN(C(=O)OC(C)(C)C)c1ccc([C@@H]2CCCN(CCO[Si](C)(C)C(C)(C)C)CC2)cc1 616629107 RTMOKDSUGZWNIK-OAQYLSRUSA-N 462.751 6.649 50 10 JKGE CCn1cc([C@@H](Br)c2sc(COC)cc2Br)nc1Br 688090243 CUZIYECGGUGBSK-SNVBAGLBSA-N 473.028 5.120 50 10 JKGE COc1ccc(Br)cc1Oc1ccc(CBr)c(Br)c1 700797825 COWUWKSCNYLPQN-UHFFFAOYSA-N 450.952 5.907 50 10 JKGE CC[C@H](C)c1ccc([C@@H](Cl)c2ccc(I)c(Br)c2)cc1 721573777 SCQUUALZCIMXIE-APPDUMDISA-N 463.584 6.895 50 10 JKGE O=C(Nc1ccccc1C(=O)NN=Cc1ccc(Br)cc1)c1ccc(Cl)cc1Cl 1083932447 LCJCFMYDUMJZPX-UHFFFAOYSA-N 491.172 5.772 50 10 JKGE Cc1cc(C=NNC(=O)CSCc2ccccc2Cl)c(C)n1-c1cc(Cl)cc(Cl)c1 1084165568 XAFHSEKWIKEDEO-UHFFFAOYSA-N 480.848 6.438 50 10 JKGE Cc1ccccc1-n1c(C)c(Br)c(C=NNC(=O)c2cc3ccccc3cc2O)c1C 1084470386 PQZXSFZOZVOCOS-UHFFFAOYSA-N 476.374 5.788 50 10 JKGE COc1cc(C=NNC(=O)COc2ccc(Cl)c(C)c2)ccc1OCc1ccccc1Cl 1772752893 TZTLIKMQHVKVGV-UHFFFAOYSA-N 473.356 5.419 50 10 JKGE CCc1cccc(OCC(=O)Nc2cccc3c(OC(=O)Nc4ccc(SC#N)cc4)cccc23)c1 1858773516 GNRXFHOCLDJTMH-UHFFFAOYSA-N 497.576 6.604 50 10 JKGE N#CC1=C(N)Oc2c(c(-c3ccccc3)nn2Cc2cccc(Cl)c2)[C@H]1c1ccccc1F 1865681885 ZEHDBENBHALIPV-QFIPXVFZSA-N 456.908 5.609 50 10 JKGE N#CC1=C(N)Oc2c(c(-c3ccccc3)nn2Cc2cccc(F)c2)[C@@H]1c1cccc2ccccc12 1865682560 RMSYCECEJVGYSN-AREMUKBSSA-N 472.523 6.109 50 10 JKGE CC(C)c1ccc([C@@H]2C(C#N)=C(N)Oc3c2c(-c2ccccc2)nn3-c2cccc(Cl)c2)cc1 1865686717 ZQRUJJZQOCAKNL-XMMPIXPASA-N 466.972 6.534 50 10 JKGE CCCCOc1ccc([C@H]2C(C#N)=C(N)Oc3c2c(C(F)(F)F)nn3Cc2ccccc2F)cc1 1865689460 AALVGRBGONBTNX-FQEVSTJZSA-N 486.469 5.486 50 10 JKGE CCc1nn(CC(C)C)c2c1[C@@H](c1ccc(OCc3ccc(Cl)cc3)c(OC)c1)C(C#N)=C(N)O2 1865701002 JMYVKTOACVWVIR-DEOSSOPVSA-N 493.007 5.561 50 10 JKGE CCc1nn(Cc2ccccc2Cl)c2c1[C@@H](c1cc(Br)ccc1F)C(C#N)=C(N)O2 1865701856 GWHDEKXRGHYHPZ-IBGZPJMESA-N 487.760 5.267 50 10 JKGE CCc1ccc([C@H]2C(C#N)=C(N)Oc3c2c(-c2ccccc2)nn3Cc2cccc(F)c2)cc1 1865709590 YEPSQAONBHWTEG-DEOSSOPVSA-N 450.517 5.518 50 10 JKGE C[C@@H](C(=O)Nc1ccc(SC#N)cc1)N1C(=O)c2c(Cl)c(Cl)c(Cl)c(Cl)c2C1=O 1865885772 NNCBJOCDHKMFDR-ZETCQYMHSA-N 489.167 5.497 50 10 JKGE COCCOc1ccc(/C=C(\C#N)C(=O)Nc2nc(-c3ccc4ccccc4c3)cs2)cc1 1866215323 OCWXIIQZLJBIHK-HYARGMPZSA-N 455.539 5.534 50 10 JKGE CCCc1nc(Nc2ccc(SC#N)cc2)cc(N2CCC(C(=O)c3c[nH]c4ccccc34)CC2)n1 1868387820 ANEKNKMLBFHGNM-UHFFFAOYSA-N 496.640 6.326 50 10 JKGE COc1ccc(/C=C(\C#N)n2cnc3ccccc32)cc1OCc1ccc(Cl)c(Cl)c1 1872727302 NWKDPQZUAQGQKR-VCHYOVAHSA-N 450.325 6.452 50 10 JKGE COc1ccc(-c2csc(/C(C#N)=C(\O)c3ccc4c(c3)C(=O)N(Cc3ccccc3)C4=O)n2)cc1 1872746093 RCMIQYNLWPRBTA-BZZOAKBMSA-N 493.544 5.565 50 10 JKGE Cc1ccc(-c2csc(/C(C#N)=C(\O)[C@H](C(C)C)N3C(=O)c4ccccc4C3=O)n2)c(C)c1 1872748584 DDCCEESNUXKCMF-MBDQKHHZSA-N 457.555 5.540 50 10 JKGE CCCCCCCOc1ccc(-c2csc(/C(C#N)=C(\O)c3cccc(Br)c3)n2)cc1 1872753065 GIBHJKPRQQTWKY-GYHWCHFESA-N 497.458 7.872 50 10 JKGE C=CCOc1ccccc1OC/C(O)=C(\C#N)c1nc(-c2ccc(OC)cc2OC)cs1 1872755317 IEMJEEZOUXAGIZ-ZZEZOPTASA-N 450.516 5.264 50 10 JKGE COc1cc(-c2csc(/C(C#N)=C(\O)COc3c(C)ccc(C)c3C)n2)c(OC)cc1Cl 1872756682 VPEHJEMMZDMNNJ-JZJYNLBNSA-N 470.978 6.278 50 10 JKGE COc1ccc(-c2csc(/C(C#N)=C/c3ccc(OCc4ccc(Cl)cc4)cc3)n2)cc1 1872780784 LDZCYNWGPLRHTE-KGENOOAVSA-N 458.970 7.115 50 10 JKGE N#C/C(=C\c1ccccc1OCc1ccc(Cl)cc1)c1nc(-c2ccc3c(c2)OCO3)cs1 1872792389 VZNIBUXIYNIOEF-RGVLZGJSSA-N 472.953 6.835 50 10 JKGE COc1cc(/C=C(\C#N)c2nc(-c3c(C)c(C)cc(C)c3C)cs2)ccc1OCCc1ccccc1 1872792486 BMNSHDMSRUWYPW-WGOQTCKBSA-N 494.660 7.738 50 10 JKGE CCCOc1c(/C=C(\C#N)c2nc(-c3ccc(Oc4ccccc4)cc3)cs2)cccc1OC 1872793429 ZNMXSAOZZZSYEW-OQKWZONESA-N 468.578 7.464 50 10 JKGE Brc1sc(Br)c([C@H](Br)[C@@H]2CC[C@@H]3C[C@@H]32)c1Br 1894216576 KVZDQIRSYMROHX-MNCSTQPFSA-N 493.884 6.518 50 10 JKGE Cl[C@@H](c1cc(Br)sn1)c1cc(Br)ccc1OCc1ccccc1 1899853018 RHCVRLXTTJOWCL-QGZVFWFLSA-N 473.617 6.575 50 10 JKGE C[C@@](CBr)(Cc1ccc(I)c(Br)c1)C1CC1 1904346276 PEKHOUPIQILDJI-ZDUSSCGKSA-N 457.975 5.407 50 10 JKGE C[C@@H](CBr)N(Cc1ccccc1)Cc1c(Br)cccc1Br 1914339992 SCSIVELNOMZGME-ZDUSSCGKSA-N 476.050 5.997 50 10 JKGE Cc1c(Br)sc([C@@H](Br)[C@@H]2Cc3ccccc3O2)c1Br 1922899687 DSAUKMYTBIQDBU-JQWIXIFHSA-N 467.020 6.021 50 10 JKGE Cc1c(Br)sc([C@H](Br)c2cccc(F)c2F)c1Br 1922954070 KNJTXEARWJGCJY-SECBINFHSA-N 460.963 6.344 50 10 JKGE Cc1ccc(Br)c([C@@H](Cl)c2c(Br)sc(Br)c2Cl)c1 1923039750 QPBHEHVFODQBDD-SECBINFHSA-N 493.873 7.326 50 10 JKGE Clc1c(Br)sc(Br)c1[C@H](Br)[C@@H]1CCCOCC1 1923068893 YFXAAKKCSQSXSS-HTRCEHHLSA-N 467.448 6.179 50 10 JKGE C[C@H](c1ccncc1Br)[C@@H](Br)c1ccc(Br)c(F)c1 1924037764 BUDUBPMLVANNEX-XLKFXECMSA-N 451.959 5.985 50 10 JKGE O=C(N[C@@H](CBr)CC1CCCC1)c1cccc(Br)c1Br 1926735122 IDOCVPBRZBJQOO-LLVKDONJSA-N 468.027 5.285 50 10 JKGE CN[C@H](c1c(Br)sc(Br)c1Cl)C1CC(Br)C1 1991410731 KEGXLLZZINAONJ-YXFGPURMSA-N 452.437 5.361 50 10 JKGE C[C@]1(CCOCc2ccccc2)CCN1c1ccc(CBr)cc1Br 2020889823 AIUUYWNDNCKRSJ-HXUWFJFHSA-N 453.218 5.920 50 10 JKGE CCOc1ccc([C@@H](Br)c2sncc2Br)c(Br)c1 2028525752 WMTBDVCAUGLNDD-LLVKDONJSA-N 455.997 5.551 50 10 JKGE CCCCCCCOc1ccc(-c2csc([C@@H](C#N)C(=O)C(C#N)=Cc3ccccc3)n2)cc1 2084316006 QISCZCBNWKSWCD-VWLOTQADSA-N 469.610 6.943 50 10 JKGE CCOc1ccc([C@H](Cl)c2ccc(Br)cc2I)s1 2086374989 MNYFWUMMHVMSQO-CYBMUJFWSA-N 457.558 5.842 50 10 JKGE ClCc1cc(OCc2c(Br)cccc2Br)ccc1Br 2094090124 DPXYXEHWMNLKFP-UHFFFAOYSA-N 469.398 6.292 50 10 JKGE Fc1cc(Cl)c(Br)cc1[C@H](Br)c1cc(Cl)ccc1Br 2097834827 OEXJJLGPBCRIDO-CYBMUJFWSA-N 491.807 7.142 50 10 JKGE C[C@@H]1CCC[C@@](CBr)(Cc2c(Br)cccc2Br)CC1 2100846554 XLGZNLMOIJQNLU-WBMJQRKESA-N 453.056 6.736 50 10 JKGE Fc1c(Cl)cccc1C[C@H](Cl)c1cc(Br)ccc1I 2113464742 ZEPXYXIJGCGGMK-LBPRGKRZSA-N 473.938 6.369 50 10 JKGE Cc1cc(Br)c(C)c([C@H](Br)[C@H]2CCC[C@@H](C)C2)c1Br 2136383231 FLMUXXDMQLYOKF-RCAYSMOQSA-N 453.056 7.091 50 10 JKGE Cc1cc(Cl)c([C@H](Br)c2ccc(Br)cc2Br)cc1Cl 2136693450 NNXPWFJNMAGDKJ-CQSZACIVSA-N 487.844 7.311 50 10 JKGE Cc1cc(Cl)c([C@H](Br)c2cc(Br)cc(Br)c2)cc1Cl 2136694425 OYULHGLXYLOCIM-CQSZACIVSA-N 487.844 7.311 50 10 JKGE COc1ccc([C@@H](Br)c2ccc(Br)cc2I)cc1F 2142289493 ZWBYJJPXMLBCBW-CQSZACIVSA-N 499.943 5.686 50 10 JKGE Clc1ccc(Br)c([C@@H](Br)c2cc(Br)c3c(c2)CCO3)c1 2146627257 JDMOOJNPPILDNP-AWEZNQCLSA-N 481.409 6.284 50 10 JKGE BrCc1ccc(N2CCc3c(Br)cccc3C2)cc1Br 2149905915 NVPRKFOGGXELQM-UHFFFAOYSA-N 460.007 5.669 50 10 JKGE BrCc1cc(Br)cc(Br)c1O[C@H]1CCC2(CCCC2)C1 2155086532 GWYAUDLTJUYLJJ-ZDUSSCGKSA-N 467.039 6.598 50 10 JKGE Cn1nc([C@H](Cl)c2csc3c(Br)cccc23)c(Br)c1Cl 2167048435 RNCQLBGLAVOXSB-SNVBAGLBSA-N 455.002 6.141 50 10 JKGE COc1cc(C)c([C@@H](Br)c2ccc(C)c(Br)c2)cc1Br 2198737493 PSJNFUGPDFAMPF-INIZCTEOSA-N 463.007 6.321 50 10 JKGE Cc1cc(Br)c(C)c([C@H](Br)[C@@H]2C[C@@H]3CCCC[C@@H]32)c1Br 2201065231 OMJXIILTCRZVIR-APNQJHFZSA-N 465.067 7.091 50 10 JKGE Cc1cc(Br)c(C)c([C@H](Cl)Cc2ccccc2Br)c1Br 2201076705 YPPZWWWASDGFDE-CQSZACIVSA-N 481.453 7.114 50 10 JKGE COc1ccc([C@@H](Br)c2c(Cl)cccc2Br)c(Cl)c1Cl 2203431386 CBESJMRDWBQGFW-GFCCVEGCSA-N 459.392 6.902 50 10 JKGE Cc1cc([C@@H](Cl)c2c(C)cc(C)c(Br)c2C)ccc1I 2207106289 WUJOQPIHNQLECP-QGZVFWFLSA-N 463.584 6.616 50 10 JKGE Fc1cc(Br)c(Br)cc1[C@@H](Cl)c1csnc1Br 2213488100 CARGYXIELOXKAC-SECBINFHSA-N 464.379 5.898 50 10 JKGE C[C@H](CCBr)N(Cc1ccccc1)c1ncc(C(F)(F)F)cc1Br 2217408776 KGEKVKNCWBSTGT-GFCCVEGCSA-N 466.139 6.043 50 10 JKGE Fc1cc(Br)c(Br)cc1[C@@H](Br)[C@@H]1CCCC1(F)F 2218599253 ZMSAVXDACBHRBX-WRWORJQWSA-N 450.918 6.222 50 10 JKGE Cc1cc(Br)c([C@H](Cl)c2scc(Br)c2C)cc1Br 2219005886 GLPMVYHSDCQGOI-LBPRGKRZSA-N 473.455 6.981 50 10 JKGE COc1ccc([C@H](Br)c2ccc(C)c(I)c2)c(Br)c1 2224622248 OLMJCQLHNSDQGW-OAHLLOKOSA-N 495.980 5.855 50 10 JKGE Cc1cc(Br)c([C@H](Br)[C@@H]2C[C@@H](C)O[C@H]2C)c(C)c1Br 2227359540 JAZZMGASDMSAGK-AFCLKFOHSA-N 455.028 6.078 50 10 JKGE CC1(C)CC(C)(COc2c(Br)cc(Br)cc2CBr)C1 2228294956 QXKLCPGDZLPKBG-UHFFFAOYSA-N 455.028 6.312 50 10 JKGE Cc1cc(C)cc([C@@H](Br)c2c(Br)cc(Cl)c(Cl)c2Cl)c1 2232509852 FLJMXPGZXIITCW-CYBMUJFWSA-N 457.420 7.510 50 10 JKGE Cl[C@@H](c1csc(I)c1)c1cc2sc(Br)cc2s1 2252901893 ISWRKVPUVRWDFN-NSHDSACASA-N 475.623 6.720 50 10 JKGE Cc1sc([C@@H](Br)c2c(Br)nn(C)c2C)c(Br)c1C 2253504035 IRJHNYMYQSDTTB-JTQLQIEISA-N 457.029 5.416 50 10 JKGE COc1c([C@@H](Br)c2c(Cl)sc(Br)c2Cl)csc1Cl 2256855982 HNTNTBUMFSOGAR-RXMQYKEDSA-N 471.450 7.025 50 10 JKGE COc1ccc([C@H](Br)c2cc(C)c(Br)o2)cc1I 2257357116 WSSAYBXHLRYRRD-LBPRGKRZSA-N 485.941 5.448 50 10 JKGE Cc1cc([C@H](Br)c2cc(Cl)c(Cl)cc2C)ccc1I 2264364092 CEOZUDRKSQRUSL-HNNXBMFYSA-N 469.975 6.699 50 10 JKGE Cc1cc(Br)c([C@H](Cl)c2cc(Br)sc2Br)c(C)c1F 2264475599 GPCXATWMJSDWOW-LLVKDONJSA-N 491.445 7.120 50 10 JKGE FC1(F)C[C@H]([C@H](Br)c2cc(Br)ccc2Br)C12CCC2 2266147958 PVIYIFOYRJYQHA-ZYHUDNBSSA-N 458.966 6.473 50 10 JKGE Fc1cc([C@@H](Cl)c2ccc(Cl)c(I)c2)c(F)cc1Br 2268279549 RAPFESCYCNGALR-ZDUSSCGKSA-N 477.901 6.314 50 10 JKGE Cc1cc(F)c(Br)cc1[C@@H](Br)c1sc(C)c(Br)c1C 2270456110 AICFYGNSEBVAJK-CYBMUJFWSA-N 471.027 6.822 50 10 JKGE CCCOc1ccc([C@@H](Br)c2cocc2Br)cc1Br 2270485176 ULWZGJIZSYYXRE-CQSZACIVSA-N 452.968 6.078 50 10 JKGE COc1c(Br)cc(Cl)cc1[C@H](Br)c1scc(C)c1Br 2277886560 CEAQZTMILRQORV-NSHDSACASA-N 489.454 6.728 50 10 JKGE Cc1sc([C@@H](Cl)c2cc3sc(Br)cc3s2)c(C)c1Br 2278089729 VSOVXGSTFPKWEZ-LBPRGKRZSA-N 456.677 7.494 50 10 JKGE COc1cc(C)c(Br)c(C)c1[C@@H](Br)c1nn(C)cc1Br 2285074574 KKQCYOUQTIOSBN-CYBMUJFWSA-N 466.999 5.055 50 10 JKGE Fc1cc(Br)c(F)c(Br)c1[C@H](Br)[C@@H]1CC[C@@H]2[C@@H]1C2(F)F 2288481096 QMZWLQYYAVXJQN-YSUNZFGCSA-N 480.919 6.217 50 10 JKGE N#CC(=Cc1ccccc1OCc1ccc(C(=O)O)cc1)C(=O)Nc1cccc(Br)c1 2294171958 MJGUDUXJAXQNOD-UHFFFAOYSA-N 477.314 5.272 50 10 JKGE COc1cc(Cl)c([C@@H](Br)c2ccc(I)cc2)c(OC)c1 2294918795 UKZWLOVLQBWISA-HNNXBMFYSA-N 467.528 5.446 50 10 JKGE Fc1ccccc1[C@@H](CI)OCc1cc(Br)ccc1Cl 2295173716 ORNUDVVFORHGMD-OAHLLOKOSA-N 469.519 5.935 50 10 JKGE N#CC(C(=O)NCc1ccccc1)=C1S[C@@H](Cc2ccc(Cl)cc2)C(=O)N1c1ccccc1 2296506768 DNTAOGUSSXZDSR-QHCPKHFHSA-N 473.985 5.083 50 10 JKGE N#CC(=Cc1cccc([N+](=O)[O-])c1)c1nc(-c2cc3c(ccc4ccccc43)oc2=O)cs1 2297213744 WDQRJAGWNRJSTK-UHFFFAOYSA-N 451.463 6.042 50 10 JKGE COc1ccc(-c2csc(C(C#N)=Cc3cc4cc(Br)ccc4nc3Cl)n2)cc1 2297315689 JTPDYALUJWQVQP-UHFFFAOYSA-N 482.790 6.847 50 10 JKGE Cc1nc(Br)c([C@@H](Cl)c2cc(Br)c(Br)s2)n1C 2300270827 APNQDUNAWOODCZ-ZETCQYMHSA-N 463.420 5.406 50 10 JKGE CCOc1cccc(NC(=O)C(C#N)=Cc2ccc(OCc3ccc([N+](=O)[O-])cc3)c(OCC)c2)c1 2313540542 GYGPNOYWPNAHCW-UHFFFAOYSA-N 487.512 5.517 50 10 JKGE Cc1ccc(Cl)cc1NC(=O)C(C#N)=Cc1cc(Cl)ccc1OCc1ccc(F)cc1 2313681179 QNBQYVUIRRGGCZ-UHFFFAOYSA-N 455.316 6.566 50 10 JKGE COCc1ccc([C@H](Br)c2ccc(I)c(Cl)c2)s1 2315098884 YXKIWQZRRKYDDG-CYBMUJFWSA-N 457.558 5.637 50 10 JKGE Cc1nc(Br)c([C@@H](Cl)c2cc(Br)ccc2Br)n1C 2315595404 HQEAJWLCIKABLJ-JTQLQIEISA-N 457.391 5.344 50 10 JKGE Cc1ccc(NC=C(C#N)C(=O)Nc2ccccc2Sc2ccccc2)c(Br)c1 2325339602 NAQPWIUPVADBLT-UHFFFAOYSA-N 464.388 6.367 50 10 JKGE Cc1c(C(O)=C(C#N)c2nc(-c3cccc(Br)c3)cs2)cc([N+](=O)[O-])cc1[N+](=O)[O-] 2331279216 WZUOEJQQXPWOIE-UHFFFAOYSA-N 487.291 5.647 50 10 JKGE C[C@H](Oc1ccc(Cl)cc1Br)C(O)=C(C#N)c1nc(-c2cccc(Cl)c2)cs1 2331294121 RTNYUIOAMSKUKV-NSHDSACASA-N 496.213 7.140 50 10 JKGE CCCOc1ccc(-c2csc(C(C#N)=C(O)CCc3nc4ccccc4[nH]c3=O)n2)cc1 2331318274 RPXHZXAMNQYXDQ-UHFFFAOYSA-N 458.543 5.261 50 10 JKGE CC[C@H](C)N1C(=O)c2ccc(C(O)=C(C#N)c3nc(-c4cc(C)cc(C)c4OC)cs3)cc2C1=O 2331372004 YPUQYRHIALQGEX-INIZCTEOSA-N 487.581 5.780 50 10 JKGE COc1cc(-c2csc(C(C#N)=C(O)COc3cc(C)c(Cl)c(C)c3)n2)c(OC)cc1Cl 2331376840 CBVWRBBQKLUCKV-UHFFFAOYSA-N 491.396 6.623 50 10 JKGE Cc1ccc(C(C)(C)C)cc1-c1csc(C(C#N)=C(O)CCCOc2ccc3ccccc3c2)n1 2331397105 IZAPAVKDHGYUCJ-UHFFFAOYSA-N 482.649 8.221 50 10 JKGE COc1cc(Br)cc(C=C(C#N)c2nc(-c3ccc4c(c3)OCO4)cs2)c1O 2331453717 AFBDPKJTHLWPLK-UHFFFAOYSA-N 457.305 5.080 50 10 JKGE Cc1ccccc1COc1ccc(C=C(C#N)c2nc(-c3cc(Cl)ccc3Cl)cs2)cc1 2331489063 VLZOXVBQMQBPIY-UHFFFAOYSA-N 477.416 8.069 50 10 JKGE CCc1ccc([C@H](Br)c2c(C)cc(Br)c(F)c2Br)o1 2339646901 WBRAUEDAJIHMCD-LBPRGKRZSA-N 454.959 6.299 50 10 JKGE CC[C@]1([C@H](Br)c2c(C)cc(Br)c(F)c2Br)CC1(F)F 2339653836 NIOHNUGLPXBXHM-VXGBXAGGSA-N 464.945 6.531 50 10 JKGE Cc1cc(Br)c(F)c(Br)c1[C@@H](Br)[C@H]1CCC(C)(C)C1 2339655185 XOFSHBOYFDCJPJ-CABZTGNLSA-N 457.019 6.921 50 10 JKGE CO[C@@H]1CC[C@@H]([C@@H](Br)c2c(C)cc(Br)c(F)c2Br)C1 2339687099 RCOMSXKYBSLQSQ-KBVBSXBZSA-N 458.991 5.910 50 10 JKGE Fc1c(Br)cc(Cl)c([C@H](Br)[C@H]2CC[C@H]3C[C@H]2CO3)c1Br 2362224277 KSKGDQOLWMPRES-GLTNYXDESA-N 491.420 6.255 50 10 JKGE Cc1ccc([C@@H](Br)c2c(Cl)cc(Br)c(F)c2Br)c(F)c1 2362229033 HMWJYZWRIJYTEB-GFCCVEGCSA-N 489.379 6.936 50 10 JKGE CCOC1CC(C[C@H](Br)c2c(Cl)cc(Br)c(F)c2Br)C1 2362230892 SUTZOJXTDAKGON-HACHORDNSA-N 493.436 6.645 50 10 JKGE Fc1cc(CBr)c(OCCOCCOCCOCc2ccccc2)cc1Cl 2362454637 BJYMNJHHKNHKDJ-UHFFFAOYSA-N 461.755 5.003 50 10 JKGE COc1c(Br)cc(C)c([C@H](Br)[C@@]23C[C@@H](OC)[C@@H]2C3)c1Br 2365183903 MMYJSSDGRMFWBA-VFTLWLRUSA-N 469.011 5.390 50 10 JKGE Cc1cc(Br)c(F)c(Br)c1[C@H](Br)c1cc(Cl)ccc1F 2365186237 OHVJKHCAKSGYHC-GFCCVEGCSA-N 489.379 6.936 50 10 JKGE COc1c(Br)cc(C)c([C@@H](Br)C2(C)CCCCC2)c1Br 2365187993 GUAYLHLDIHAOAT-OAHLLOKOSA-N 469.055 6.935 50 10 JKGE Cc1cc(Br)c(F)c(Br)c1[C@H](Br)C12CCCC1CCC2 2365194349 PYFFZNJIXBHATL-NWWFGRIYSA-N 469.030 7.066 50 10 JKGE C[C@@H]1[C@H](C(F)(F)F)N(C[C@](C)(CBr)C(C)(C)C)CCN1C(=O)OC(C)(C)C 2380173671 FQKXJKJXRGGKKF-LBTNJELSSA-N 459.391 5.306 50 10 JKGE Cc1ccc(C[C@@H]2S/C(=C(\C#N)C(=O)Nc3ccccc3F)N(c3ccccc3)C2=O)cc1 2351520 LIDSHIFKXLXQEB-XCQFTPQJSA-N 457.530 5.199 50 10 JKGE CC[C@H](C)c1ccccc1O[C@H](CC)C(=O)NNC(=O)COc1ccc(-c2ccccc2)cc1 10683697 JVBYGKUFWCZYIG-NBGIEHNGSA-N 460.574 5.251 50 10 JKGE CC[C@@H](C)c1ccc(OCC(=O)NNC(=O)c2ccc(OCCC(C)C)cc2)c(Br)c1 14832338 KYIMGHNDKUYGPX-QGZVFWFLSA-N 491.426 5.228 50 10 JKGE N#C/C(=C\c1ccc(-c2cc(C(F)(F)F)ccc2Cl)o1)c1nc(-c2ccccc2)cs1 33567853 KWVSSDBTJJDLNK-XNTDXEJSSA-N 456.876 7.806 50 10 JKGE CC(C)c1nc(N2CCN(C(=O)[C@@H](Cl)c3ccccc3)CC2)c2c3c(sc2n1)C[C@@H](C)CC3 35865855 YYSHESIIZQTMRF-JTSKRJEESA-N 483.081 5.568 50 10 JKGE CCOc1ccc(C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@H]3c2c(Cl)cccc2Cl)cc1 38679642 ZPQPBMUGXRENQU-QFIPXVFZSA-N 481.335 5.829 50 10 JKGE Cc1cc(C)cc(Oc2nc3c(C)cccn3c(=O)c2/C=C(\C#N)C(=O)Nc2ccccc2C)c1 39993047 FGTGPPCJYUYTNS-RCCKNPSSSA-N 464.525 5.266 50 10 JKGE Nc1c(NNC(=O)c2ccc(Cl)cc2Cl)ncnc1N(Cc1ccccc1)Cc1ccccc1 40709609 HFSWYXXUOYRUHP-UHFFFAOYSA-N 493.398 5.329 50 10 JKGE CCCOc1ccc(/C=N/NC(=O)CSc2nc(-c3ccccc3)cs2)cc1OCC 40924578 SASAXFRODUCMNN-ZVHZXABRSA-N 455.605 5.240 50 10 JKGE N#C/C(=C\c1ccc(OCc2ccccc2Cl)cc1)C(=O)N1CCN(c2ccccc2)CC1 59676556 UNHRXWPOHRJLNH-PTGBLXJZSA-N 457.961 5.175 50 10 JKGE CCCOc1ccc(/C=C(/C#N)C(=O)Nc2sc(C(C)C)cc2C(=O)OCC)cc1OC 96504328 SHAVLQQHGZWCQH-BOPFTXTBSA-N 456.564 5.391 50 10 JKGE CC1=C(C#N)C(=O)N([C@H](C)c2ccccc2)C(=O)/C1=C/c1ccc(OCc2ccccc2Cl)cc1 101337940 QEOPEVDNKDVHJN-UVPCLOGWSA-N 482.967 6.272 50 10 JKGE CC1=C(C#N)C(=O)N(Cc2ccccc2Cl)C(=O)/C1=C/c1ccc(-c2ccc(Cl)c(Cl)c2)o1 101340844 VZXJLQLPAHVCIO-WOJGMQOQSA-N 497.765 6.699 50 10 JKGE CCOC(=O)c1c(N/C=C(\C#N)c2nc(-c3ccc4c(c3)OCO4)cs2)sc(C(C)=O)c1C 103634071 ZCHMIXXIVRIPPC-OQLLNIDSSA-N 481.555 5.265 50 10 JKGE CCCCCCCCOc1ccc(/C=C(/C#N)c2nc(-c3ccc(Br)cc3)cs2)cc1 103762553 FJXKDRQIHLPHJW-XLNRJJMWSA-N 495.486 8.376 50 10 JKGE CCN1CC2=C(NC(N)=C(C#N)[C@@H]2c2ccc(SC)cc2)/C(=C\c2ccc(SC)cc2)C1 111059738 ULMXWQNSCKIHAV-NAJSETDRSA-N 460.672 5.184 50 10 JKGE COc1cc(C)c(Br)cc1[C@H](Br)c1sccc1Br 115070082 WFWUTCFQHXNHGV-LBPRGKRZSA-N 455.009 6.074 50 10 JKGE Fc1ccccc1C(CBr)(CBr)Cc1ccc(Cl)cc1Cl 118878265 MCDISAYBCYWZNO-UHFFFAOYSA-N 454.992 6.403 50 10 JKGE Cl[C@H](c1csc(I)c1)c1cc(Br)ccc1Br 118883915 MXQYRMSHMDAVCK-LLVKDONJSA-N 492.401 6.206 50 10 JKGE CCCOc1ccc(/C=C(/C#N)C(=O)Oc2ccc(C(=O)Nc3cc(C)ccc3C)cc2)cc1 206415695 YUVNMQASIWEAIM-QJOMJCCJSA-N 454.526 5.857 50 10 JKGE Cc1ccc(Cl)cc1N/C=C(/C#N)C(=O)N1CCN(C(c2ccccc2)c2ccccc2)CC1 216492284 INSOBEUNHOXJCB-GFMRDNFCSA-N 471.004 5.402 50 10 JKGE Cc1cc(I)ccc1NC(=O)/C(C#N)=C\Nc1ccc(C(C)(C)C)cc1 217254159 KZCQSLPCJLBYRV-SQFISAMPSA-N 459.331 5.355 50 10 JKGE Brc1cc([C@H](Br)[C@H]2C[C@@H]2c2ccccc2)sc1Br 227022185 CDVKPLVVYWAMGP-GBIKHYSHSA-N 451.021 6.513 50 10 JKGE COc1cc(F)c(Br)cc1[C@H](Br)c1cc(C)ccc1Br 234912916 RYKUUQHDIVUSHH-OAHLLOKOSA-N 466.970 6.152 50 10 JKGE Cc1cc([C@H](Br)c2ccc(Br)cc2Br)cc(C)c1F 235860786 QPZMCNPDZIKZRB-AWEZNQCLSA-N 450.971 6.452 50 10 JKGE Fc1cccc(Cl)c1C[C@@H](Cl)c1cc(I)ccc1Br 236143054 NZSCGSSCXKAEOX-CYBMUJFWSA-N 473.938 6.369 50 10 JKGE CCN(CC)c1ccc(C=NNC(=O)COc2cc(C)c(Br)cc2C(C)C)cc1 252625403 QJGSBOQLJCGYDZ-UHFFFAOYSA-N 460.416 5.256 50 10 JKGE Cc1cccc(C(=O)Oc2ccc3ccccc3c2C=NNC(=O)COc2ccc(F)cc2)c1 254483318 DIZYOLLOJKKHMD-UHFFFAOYSA-N 456.473 5.036 50 10 JKGE CC(C)(C)c1cc(C=NNC(=O)CP(=O)(c2ccccc2)c2ccccc2)cc(C(C)(C)C)c1O 254522492 BZBQICUUBRRMFS-UHFFFAOYSA-N 490.584 5.451 50 10 JKGE C/C(C=NNC(=O)CSc1nnc(SCc2ccc(C)cc2)s1)=C\c1ccccc1 254606509 GZTGKTYLMBIQSR-ZBGXONSYSA-N 454.646 5.436 50 10 JKGE Fc1cc(Br)c(Cl)cc1[C@H](Br)c1ccccc1OCc1ccccc1 310841565 HRYYMOKKDMEZFM-HXUWFJFHSA-N 484.590 7.305 50 10 JKGE FC1(F)CC[C@H](CC(CBr)(CBr)c2ccccc2Br)C1 312131230 BXNUCUOMIXHDGT-LLVKDONJSA-N 475.009 6.302 50 10 JKGE CC(C)[Si](OC[C@@H](C)[C@H]1CC[C@H]2[C@H]3CC=C4CC(=O)CC[C@]4(C)[C@H]3CC[C@@]21C)(C(C)C)C(C)C 605696412 YGIHNOOJRCPWAC-DTEUCFLUSA-N 486.857 8.963 50 10 JKGE in-vitro CC(C)(C)[Si](C)(C)OCc1ccc([C@H]2COCCN(S(=O)(=O)c3ccccc3)C2)cc1 616596030 XIMIPYDNRQORDW-JOCHJYFZSA-N 461.700 5.013 50 10 JKGE CC(C)(C)[Si](C)(C)OCCc1cccc([C@H]2CCCN(CCO[Si](C)(C)C(C)(C)C)C2)c1 616617658 BDXZISZBQQMOHE-VWLOTQADSA-N 477.882 7.452 50 10 JKGE CC(C)(C)[Si](C)(C)OCc1cccc([C@@H]2CCCCCN2S(=O)(=O)c2ccccc2)c1 616629325 GUNQAXNTSHZCIZ-DEOSSOPVSA-N 459.728 6.514 50 10 JKGE CC(C)(C)[Si](C)(C)OCCN1CCOC[C@H]1c1ccccc1CO[Si](C)(C)C(C)(C)C 616640235 FNUABMOHTFARIC-QHCPKHFHSA-N 465.827 6.604 50 10 JKGE CC1(C)C[C@H](Br)C[C@H](NC(=O)c2ccc(I)c(Cl)c2)C1 693889592 FCPLTLDYBVSDSQ-MNOVXSKESA-N 470.576 5.017 50 10 JKGE CCn1cc([C@@H](Br)c2cc(C)c(Br)cc2C)nc1Br 698374808 ZCXYMOYMMYWWLL-ZDUSSCGKSA-N 451.000 5.529 50 10 JKGE Cc1cc([C@H](Br)c2scc(Br)c2Br)c(C)cc1F 705473581 AWTHRWMZYJKLGA-NSHDSACASA-N 457.000 6.513 50 10 JKGE Cc1ccc([C@@H](Br)c2cc(F)ccc2Br)c(C)c1Br 719534370 HZWLGZGMPJTOMQ-OAHLLOKOSA-N 450.971 6.452 50 10 JKGE O=C(CCCNc1ccc(Br)cc1)NN=Cc1ccccc1OCc1ccccc1 1084202943 PJMJAQDMTYVGPX-UHFFFAOYSA-N 466.379 5.371 50 10 JKGE O=C(NN=Cc1cccc(Br)c1)c1ccc(CSc2ccc(Cl)cc2)cc1 1084203287 SGFUERSBBGBLSR-UHFFFAOYSA-N 459.796 6.159 50 10 JKGE COc1cc(C=NNC(=O)c2cccc3ccccc23)ccc1OCc1ccc(Br)cc1 1084221653 GNQQZOHZLKUNTN-UHFFFAOYSA-N 489.369 5.954 50 10 JKGE Cc1cc(C=NNC(=O)C(=O)Nc2cccc(Cl)c2)c(C)n1-c1cc(Cl)cc(Cl)c1 1084233334 YTACFFZMFOSDCH-UHFFFAOYSA-N 463.752 5.143 50 10 JKGE N#CCOc1ccc(/C=C(\C#N)C(=O)Nc2cccc(Cl)c2Cl)cc1I 1084288680 BCHYIOANPIZAMP-XYOKQWHBSA-N 498.107 5.046 50 10 JKGE C[C@@H](Oc1ccc(Cl)cc1Cl)C(=O)NN=Cc1ccc(Sc2nc3ccccc3s2)o1 1084601252 AHHXAABNBOUQFU-GFCCVEGCSA-N 492.409 6.265 50 10 JKGE CC1=C(C(=O)NN=Cc2ccc(Cl)cc2Cl)[C@@H](c2ccc(Cl)cc2Cl)NC(=S)N1 1084646859 DLRUBGORQGITJL-QGZVFWFLSA-N 488.227 5.243 50 10 JKGE N#CC1=NN(c2ccccc2)[C@@H](c2ccccc2)C2=C1OC(N)=C(C#N)[C@@H]2c1ccc(Cl)cc1 1088661215 CRHMSTKONUBSTK-ZCYQVOJMSA-N 463.928 5.543 50 10 JKGE Cc1c(C(=O)Nc2cccc3ccccc23)oc2c1C(=NNC(=O)Cc1ccccc1)CCC2 1772749332 TZAYZURAAGCESF-UHFFFAOYSA-N 451.526 5.393 50 10 JKGE CCOc1ccc([C@H]2C(C#N)=C(N)Oc3c2c(-c2ccccc2)nn3Cc2ccc(Cl)cc2)cc1 1865694686 ZFPZFSFMIZOXQY-DEOSSOPVSA-N 482.971 5.869 50 10 JKGE N#CC1=C(N)Oc2c(c(-c3ccccc3)nn2-c2cccc3ccccc23)[C@@H]1c1ccc([N+](=O)[O-])cc1 1865713168 SPQJFEZRHSJZID-RUZDIDTESA-N 485.503 5.819 50 10 JKGE Cc1nc(-c2ccc(Cl)c(Cl)c2)ccc1C(=O)N/N=C\c1c(C)nc2scc(C)n12 1865762711 YOMSIHFMHZPKJA-OPVMPGTRSA-N 458.374 5.454 50 10 JKGE CCC[C@@H](NC(=O)C[C@@H](c1ccc(OC)c(C)c1)C(C)C)C(=O)Nc1ccc(SC#N)cc1 1866773960 DBMUUNWOMSRVOF-DHIUTWEWSA-N 467.635 5.630 50 10 JKGE CC(C)(C)CN1CCN(c2cc(Nc3ccc(SC#N)cc3)nc(Cc3ccccc3)n2)CC1 1868207060 FECAYGWEMLVYFQ-UHFFFAOYSA-N 472.662 5.552 50 10 JKGE N#CSc1ccc(Nc2cc(N3CCC[C@H](Oc4ccccc4)C3)nc(Cc3ccccc3)n2)cc1 1868207415 MOOCHNGYLXUYNV-VWLOTQADSA-N 493.636 6.432 50 10 JKGE Cc1ccc(-c2nc(Nc3ccc(SC#N)cc3)cc(N3CCc4nc[nH]c4[C@H]3C)n2)cc1 1868321094 URWMBGZKJLJURF-QGZVFWFLSA-N 453.575 5.616 50 10 JKGE CC(C)[C@H]1c2ccccc2CCN1c1cc(Nc2ccc(SC#N)cc2)nc(-c2ccccc2)n1 1868364644 CCOHICLAXXVTPA-NDEPHWFRSA-N 477.637 7.220 50 10 JKGE CCCCc1ccc(-c2csc(/C(C#N)=C(\O)CCCOc3ccc(C(C)(C)C)cc3)n2)cc1 1872744938 PSERHTNZPCNCBU-RFBIWTDZSA-N 474.670 8.102 50 10 JKGE COc1ccc(/C=C(C(/O)=C(\C#N)c2nc(-c3ccc(OC)c(OC)c3)cs2)\c2ccccc2)cc1 1872745593 UWXFIWXOHWXZRB-KOGQMRHXSA-N 496.588 6.869 50 10 JKGE COc1ccc(CN2C(=O)c3ccc(/C(O)=C(\C#N)c4nc(-c5ccccc5)cs4)cc3C2=O)cc1 1872748086 IAQVFJIAWTVEPN-BZZOAKBMSA-N 493.544 5.565 50 10 JKGE COC(=O)c1ccccc1N1C[C@H](/C(O)=C(\C#N)c2nc(-c3cc(C)ccc3C)cs2)CC1=O 1872749924 OBCFCLRSYUXHKV-BJUXRVGASA-N 473.554 5.059 50 10 JKGE COc1cc(C)c(-c2csc(/C(C#N)=C(O)/C=C/c3ccccc3Cl)n2)cc1C(C)C 1872753969 WOQJGRPNJYNWGX-UVVICIBZSA-N 450.991 7.410 50 10 JKGE CC[C@@H](C)N1C(=O)c2ccc(/C(O)=C(\C#N)c3nc(-c4cc(C(C)(C)C)ccc4C)cs3)cc2C1=O 1872756066 QQYFGTRHRUVRHY-NPPSCJOGSA-N 499.636 6.760 50 10 JKGE Cc1ccc(C(C)(C)C)cc1-c1csc(/C(C#N)=C(\O)[C@@H](C)Oc2ccc(Cl)cc2)n1 1872756082 RBPLKJLHHHRMCN-DLTPIXJPSA-N 453.007 7.330 50 10 JKGE N#C/C(=C(O)\C=C\c1ccc(Cl)c(Cl)c1)c1nc(-c2cc(Cl)ccc2Cl)cs1 1872757879 AHBLQTCBFNDCPF-AAICEGSWSA-N 468.192 7.930 50 10 JKGE CCOc1cc(/C=C(\C#N)c2nc(-c3cc(C)ccc3C)cs2)ccc1OCc1ccccc1C 1872791101 VVCYAMPGONPNII-MFKUBSTISA-N 480.633 7.777 50 10 JKGE CCOc1cc(/C=C(\C#N)c2nc(-c3cc(C)cc(C)c3OC)cs2)cc(Br)c1O 1872792801 RNDKWZVZFMYMKK-LZYBPNLTSA-N 485.403 6.367 50 10 JKGE Fc1c(Br)cc(Cl)c([C@H](Cl)[C@@H]2C[C@@H]2Br)c1Br 1900362221 RPGKLXNJKYBUKY-OSCPRWCLSA-N 455.774 6.067 50 10 JKGE Clc1sc([C@H](Cl)c2cc(I)sn2)cc1Br 1909888831 IFOWJEFFQHITMQ-SSDOTTSWSA-N 454.967 5.553 50 10 JKGE C[C@@H](Br)CN(Cc1ccccc1)Cc1cc(Cl)ccc1I 1914645890 KPXULAKRURWUMX-CYBMUJFWSA-N 478.599 5.730 50 10 JKGE CC[C@@H](Br)CN(Cc1ccccc1)S(=O)(=O)c1cc(Cl)sc1Cl 1915073766 JKZIXNUUGADXIP-GFCCVEGCSA-N 457.242 5.419 50 10 JKGE Cc1cccc(C(=O)N(Cc2ccccc2)[C@H](CBr)C2CC2)c1I 1915315118 URHFOKCNWCFSJO-GOSISDBHSA-N 498.202 5.416 50 10 JKGE Cl[C@@H](Cc1cccc(Br)c1)c1sc(Br)cc1Br 1922944440 YTAULGHQKPSDSW-JTQLQIEISA-N 459.428 6.558 50 10 JKGE Clc1c(Br)sc(Br)c1[C@H](Cl)c1occc1Br 1923055148 PPNCLKBZTYUKDM-YFKPBYRVSA-N 469.807 6.610 50 10 JKGE Brc1sc(Br)c([C@@H](Br)[C@H]2C[C@@H]3C[C@@H]3C2)c1Br 1924576383 NLXGUWONWRMNAU-GCJQMDKQSA-N 493.884 6.518 50 10 JKGE Cl[C@H](CC[C@H]1CCCO1)c1c(Br)sc(Br)c1Br 1924583143 GLDMGNLYVNIBJW-RNFRBKRXSA-N 467.448 6.275 50 10 JKGE CC1(C)CCCC[C@@H]1[C@H](Cl)c1c(Br)sc(Br)c1Br 1924591740 UEZSRXRKNMSISF-XCBNKYQSSA-N 479.503 7.532 50 10 JKGE C[C@@]1([C@@H](Cl)c2c(Br)sc(Br)c2Br)CCOC1 1924612230 KPENDZUMCJEXFK-OIBJUYFYSA-N 453.421 5.742 50 10 JKGE Clc1ccc(I)c([C@H](Cl)Cc2ncccc2Br)c1 1924859422 BDYHCZSNMWTKOB-LLVKDONJSA-N 456.936 5.625 50 10 JKGE CC(C)(CC(F)(F)F)[C@@H](Br)c1cc(Br)c(Br)s1 1941573622 QTGVZVVLDDVRPV-ZETCQYMHSA-N 458.963 6.688 50 10 JKGE Cc1cc(Br)c([C@@H](Cl)c2c(Br)cccc2Br)s1 1945324176 WOSJRDYFHNDHEM-NSHDSACASA-N 459.428 6.672 50 10 JKGE CC1(CO[C@@]2(CI)CCCN(C(=O)OC(C)(C)C)C2)CCCCC1 1945637356 PIZJGJPNBGPLIU-LJQANCHMSA-N 451.389 5.178 50 10 JKGE Fc1cc(Br)cc(N(Cc2ccccc2)C[C@@H]2CCCO2)c1CBr 2004046298 WVOYMYWIGQZKQN-INIZCTEOSA-N 457.181 5.669 50 10 JKGE CCCC1([C@H](Cl)c2c(Br)sc(Br)c2Br)CCC1 2015637518 JPGUMGYJIREYEZ-SECBINFHSA-N 465.476 7.286 50 10 JKGE Cc1csc([C@H](Br)c2ccc(Br)cc2Br)c1Cl 2024295628 SVDPVTIXCPLIGB-SNVBAGLBSA-N 459.428 6.719 50 10 JKGE CC(C)(C)[Si](C)(C)OC[C@@H]1O[C@H](n2ccc(=N)nc2O)C(F)(F)[C@@H]1O[Si](C)(C)C(C)(C)C 2037814798 LUWQMPCKYNDDGB-UAGQMJEPSA-N 491.728 5.013 50 10 JKGE N#CC(=Cc1cc([N+](=O)[O-])ccc1Sc1ccc(Cl)cc1)S(=O)(=O)c1ccc(Cl)cc1 2053539291 BYVFOKXVDATYFW-UHFFFAOYSA-N 491.377 6.391 50 10 JKGE COc1cc(C(=O)N(Cc2ccccc2)[C@H](CBr)C(C)C)ccc1Br 2072061196 NFONQYQUPJDOBM-GOSISDBHSA-N 469.217 5.520 50 10 JKGE Cc1cc(Br)c([C@@H](Br)[C@@H]2C(F)(F)C23CCC3)cc1Br 2093466043 QJHGZDKRWXLYGA-NEPJUHHUSA-N 458.966 6.391 50 10 JKGE Cc1cc(Br)c([C@H](Br)[C@H]2COCCC2(F)F)cc1Br 2110385897 AKCOPEBRQXKPHV-SKDRFNHKSA-N 462.954 5.628 50 10 JKGE Fc1c(C[C@@H](Br)c2cccc(Br)c2)ccc(Cl)c1Br 2113491712 RYEJMHLPQZREFT-LLVKDONJSA-N 471.389 6.683 50 10 JKGE Brc1ccc([C@@H](Br)C2CC3(CCCCC3)C2)c(Br)c1 2138859501 BSTLHYZMYHHDTB-HNNXBMFYSA-N 451.040 7.008 50 10 JKGE Cc1cc(F)ccc1[C@H](Br)c1ccc(Br)c(C)c1Br 2138876070 LWKWNNXPHWLZJY-HNNXBMFYSA-N 450.971 6.452 50 10 JKGE Cc1cc([C@H](Br)Cc2ccc(Cl)c(Cl)c2)ccc1I 2142106416 MDEABOVCOOHTIX-GFCCVEGCSA-N 469.975 6.585 50 10 JKGE Cc1cc(Br)c(F)c([C@@H](Br)c2cc(F)c(Br)cc2F)c1 2145601800 VTUHKHKFDCVQAP-ZDUSSCGKSA-N 472.924 6.422 50 10 JKGE Cc1cccc(Br)c1[C@H](Br)c1cc(Br)c2c(c1)CCO2 2146627835 LNGUTYMYDUMCOW-OAHLLOKOSA-N 460.991 5.939 50 10 JKGE COc1ccc(Br)c(CC[C@@H](Br)c2cccc(Br)c2)c1 2169798361 CQXOEMNSOGHAGI-OAHLLOKOSA-N 463.007 6.289 50 10 JKGE Cc1cc(Br)c(CBr)c(N2CC[C@@H]3[C@@H](CCCN3Cc3ccccc3)C2)c1 2173443757 GJEABKVITZOAED-SIKLNZKXSA-N 492.299 6.143 50 10 JKGE Cc1c(Br)ccc([C@H](Br)[C@H]2C[C@@H]2c2ccccc2)c1Br 2203689895 ZVMOZIDWYOHKMI-KEYYUXOJSA-N 459.019 6.760 50 10 JKGE Clc1ccc(I)c(CN2CC[C@@H]3CC[C@@H](Br)C[C@@H]3C2)c1 2204105854 NUDLRHCLLLACBF-OUCADQQQSA-N 468.604 5.330 50 10 JKGE Cc1cc([C@H](Cl)c2csc3c(Br)cccc23)ccc1I 2207104056 QDHLUKGFMUDIHW-HNNXBMFYSA-N 477.592 6.905 50 10 JKGE Cc1sc(Br)c(C)c1[C@@H](Br)c1cscc1OCc1ccccc1 2210561003 SDARMNHLDXGCBM-KRWDZBQOSA-N 472.267 7.252 50 10 JKGE CO[C@@H]1CC[C@@H]([C@H](Br)c2c(Br)cc(Cl)c(Cl)c2Cl)C1 2224304632 LGZFCOZXTFMJCW-AMXGMDGSSA-N 451.413 6.660 50 10 JKGE CCOCc1cc(Br)c([C@H](Br)c2nn(C)cc2Br)s1 2224797397 XIFCTXUMRTWZLS-SNVBAGLBSA-N 473.028 5.027 50 10 JKGE Brc1ccc(Br)c([C@H](Br)[C@@H]2OC[C@@H]3CCCC[C@@H]32)c1 2224953852 ZAQRKJYGVHWECX-LHAJWOIZSA-N 453.012 5.853 50 10 JKGE Cc1cc([C@H](Br)c2cc(Br)c(Br)cc2F)ccc1Cl 2225616247 DTFTUAIYHWAHRR-AWEZNQCLSA-N 471.389 6.797 50 10 JKGE Cc1c(Cl)cccc1[C@@H](Br)c1cc(Br)c(Br)cc1F 2225616745 JBEAMFOGOJIHJQ-CQSZACIVSA-N 471.389 6.797 50 10 JKGE ClCCc1nc2cc(Br)c(Br)cc2n1CC1(Br)CC1 2225703221 WVGXZQXRPDADDF-UHFFFAOYSA-N 471.418 5.270 50 10 JKGE COCC1([C@H](Br)c2c(Br)cc(C)c(Br)c2C)CCC1 2227347958 LCFGPBUPHHTETP-CQSZACIVSA-N 455.028 6.081 50 10 JKGE C[C@@H]1CC[C@@H](C(C)(C)c2sc(Br)c(Br)c2Br)[C@H](Cl)C1 2230044682 SHWREWYTYQGCCQ-IWSPIJDZSA-N 493.530 7.357 50 10 JKGE Cc1c(F)ccc([C@H](Br)c2ccc(Br)cc2Br)c1F 2231080256 SAOCOORACCVLEK-CYBMUJFWSA-N 454.934 6.283 50 10 JKGE Cc1cc(C)cc([C@H](Br)c2c(Br)cc(C)c(Br)c2C)c1 2235601590 AQVRGDLHYUBHDG-KRWDZBQOSA-N 461.035 6.930 50 10 JKGE Cc1ccc([C@H](C)[C@H](Br)c2cc(Br)c(Br)cc2F)cc1 2240814505 IRUPEPZPLSPLPB-QFYYESIMSA-N 464.998 6.899 50 10 JKGE Cc1sc([C@H](Br)c2ccc(OCc3ccccc3)cc2)c(Br)c1C 2246388630 GZDXIUVETQAMJB-LJQANCHMSA-N 466.238 7.191 50 10 JKGE FC1(F)C[C@H]([C@H](Br)c2sc(Br)cc2Br)C12CCC2 2254861394 OODOUYVAXLVTDC-MUWHJKNJSA-N 464.995 6.535 50 10 JKGE FCCC1([C@@H](Br)c2c(F)cc(Br)c(F)c2Br)CC1 2260005025 DAUJTMONZPSPHI-NSHDSACASA-N 450.918 6.066 50 10 JKGE Brc1ccc(Br)c(CN2C[C@H](Br)C[C@H]3CCCC[C@H]32)c1 2279519653 FKYGILGBABGOOM-DJSGYFEHSA-N 466.055 5.740 50 10 JKGE Cc1c(Br)cccc1CO[C@H](CI)c1cccc(Cl)c1 2283653214 DGQUIOHNUWNVLP-MRXNPFEDSA-N 465.556 6.104 50 10 JKGE Fc1cc(Br)c(F)c(Br)c1[C@H](Cl)Cc1cccc(Br)c1 2288350615 ASZHCWAWDPYHNE-SNVBAGLBSA-N 489.379 6.775 50 10 JKGE CC(C)COC(=O)c1ccc(NC=C(C#N)c2nc(-c3cc4ccccc4oc3=O)cs2)cc1 2296798473 YGULNNFSLYZTOD-UHFFFAOYSA-N 471.538 5.706 50 10 JKGE O=C(NN=Cc1c(OC(=O)c2cccc(Cl)c2)ccc2ccccc12)c1cccc([N+](=O)[O-])c1 2297635506 DYEKBNPYXOYVMJ-UHFFFAOYSA-N 473.872 5.385 50 10 JKGE Cc1csc([C@H](Cl)c2ccc(OCc3ccccc3)cc2Br)c1Br 2299490016 VFQYQHKRJJAEKY-GOSISDBHSA-N 486.656 7.489 50 10 JKGE COc1cc(C=C(C#N)C(=O)NCc2cccs2)ccc1OCc1cccc2ccccc12 2313540570 ILGDGPXRFHDQKK-UHFFFAOYSA-N 454.551 5.712 50 10 JKGE CCOc1cc(C=C(C#N)C(=O)Nc2ccc(C)cc2)c(Br)cc1OCc1ccccc1 2313566985 AFHNKPSBTCIKOH-UHFFFAOYSA-N 491.385 6.281 50 10 JKGE Cc1cccc(NC(=O)C(C#N)=Cc2ccc(OC(=O)c3ccc(Cl)cc3Cl)cc2)c1 2313667044 DJHMMWQKQIWQCX-UHFFFAOYSA-N 451.309 6.067 50 10 JKGE CC(C)NC(=O)C(C#N)=Cc1cc(Br)ccc1OCc1ccc(Br)cc1 2313738930 ZFDACKJZQLVMQQ-UHFFFAOYSA-N 478.184 5.222 50 10 JKGE Cc1c(NC(=O)C(C#N)=CC2=Cc3ccccc3O[C@H]2c2ccccc2)c(=O)n(-c2ccccc2)n1C 2314433936 XRQMBCQVPQFWEB-NDEPHWFRSA-N 488.547 5.090 50 10 JKGE N#CC(=C(O)c1ccccc1C[C@@H](Cl)C#N)c1nc(-c2ccc(Br)cc2)cs1 2314457325 FHJPQXVTLGQLTK-MRXNPFEDSA-N 470.779 6.196 50 10 JKGE CCCCCCCOc1ccc(C=C2C(=O)N(CCCCC)C(=O)C(C#N)=C2C)cc1OCC 2314611448 UIDLMXLYBDLNCL-UHFFFAOYSA-N 466.622 6.217 50 10 JKGE CC(C)C(F)(F)[C@@H](Br)c1c(Cl)cc(Br)c(F)c1Br 2315453804 QDGAQEDESZQXDY-JTQLQIEISA-N 473.352 6.731 50 10 JKGE ClCc1nc(Oc2cc(Br)cc(Br)c2)ncc1Br 2316830572 IDBPTJSYIRMTOB-UHFFFAOYSA-N 457.347 5.295 50 10 JKGE Cc1cc(Br)c(F)c(Br)c1[C@@H](Br)c1ccc(Cl)s1 2317396328 RECYUVGYIOVKBV-JTQLQIEISA-N 477.418 6.858 50 10 JKGE COc1c(Br)cc(C)c([C@@H](Br)CCC(F)F)c1Br 2317429679 UYDFSSVHJVHWFH-ZETCQYMHSA-N 450.943 6.010 50 10 JKGE COc1ccc(C=NNC(=O)c2ccc3[nH]c4c(c3c2)CCCC4)cc1OCc1ccccc1Cl 2321672194 HNQQNUOASUIOQZ-UHFFFAOYSA-N 487.987 6.052 50 10 JKGE Brc1ccc(Br)c(CN2CC[C@H]3CC[C@H](Br)[C@@H]2C3)c1 2330963054 KRDDYYLULMOOSW-ONERCXAPSA-N 452.028 5.350 50 10 JKGE COc1cccc(C=C(C#N)c2nc3ccccc3n2C)c1OCc1ccc(Br)cc1 2331019788 YTKTXANWMFQTCP-UHFFFAOYSA-N 474.358 5.988 50 10 JKGE N#CC(=C(O)COc1ccc(Cl)cc1Cl)c1nc(-c2ccc(-c3ccccc3)cc2)cs1 2331232142 ZMDPWXDVYFSMIX-UHFFFAOYSA-N 479.388 7.656 50 10 JKGE CCOc1ccc(C=C(C(O)=C(C#N)c2nc(-c3ccc(Cl)cc3)cs2)c2ccccc2)cc1 2331299146 AAHUWKGDMFJSGA-UHFFFAOYSA-N 485.008 7.896 50 10 JKGE CCCOc1ccc(-c2csc(C(C#N)=C(O)CCN3C(=O)c4ccccc4C3=O)n2)cc1 2331318406 IGDOSWIZGWGGPD-UHFFFAOYSA-N 459.527 5.078 50 10 JKGE CCCOc1ccc(-c2csc(C(C#N)=C(O)C(=Cc3ccc(OC)cc3)c3ccccc3)n2)cc1 2331318484 QQDJLVFHUQTJPF-UHFFFAOYSA-N 494.616 7.641 50 10 JKGE CCCCCCCOc1ccc(-c2csc(C(C#N)=C(O)COc3ccc(C)cc3C)n2)cc1 2331344690 GIVNDRRCAPEJJR-UHFFFAOYSA-N 476.642 7.648 50 10 JKGE COc1ccc(C(C)(C)C)cc1-c1csc(C(C#N)=C(O)c2ccc(-c3ccccc3)cc2)n1 2331349294 IIBLTXGEPSJULV-UHFFFAOYSA-N 466.606 7.733 50 10 JKGE COc1ccc(C(C)(C)C)cc1-c1csc(C(C#N)=C(O)[C@@H](C)Oc2ccccc2C(C)C)n1 2331350868 ZSCNPWNCHAMQNI-GOSISDBHSA-N 476.642 7.500 50 10 JKGE COc1ccc(-c2csc(C(C#N)=Cc3ccccc3OCc3ccccc3Cl)n2)cc1OC 2331417919 AUAOTHJHYYDDRT-UHFFFAOYSA-N 488.996 7.124 50 10 JKGE Cc1cc(I)c(OCc2ccc(CBr)cc2)cc1Cl 2336454352 SYMYLCVIFOALOG-UHFFFAOYSA-N 451.529 5.727 50 10 JKGE Fc1c(Br)cc(Cl)c([C@H](Br)[C@@H]2C[C@]23CC3(F)F)c1Br 2337090817 RSUYJUNUMLPFAI-LSMXRSANSA-N 483.347 6.485 50 10 JKGE Fc1c(Br)cc(Cl)c([C@@H](Br)[C@H]2CCC[C@@H]3C[C@H]23)c1Br 2337094227 MXQCHWLWONHYDL-VXDIOVFMSA-N 475.421 6.876 50 10 JKGE Clc1ccc(CN2CC[C@@H]3C[C@H](Br)CC[C@@H]32)cc1I 2337223955 SUFZNNCGXWQOEV-JMSVASOKSA-N 454.577 5.083 50 10 JKGE CN(CC[C@H](Br)c1cccs1)C(=O)c1cscc1OCc1ccccc1 2340664121 UVEQUHDROMUCRI-KRWDZBQOSA-N 450.423 5.987 50 10 JKGE COc1c(F)cc([C@@H](Br)c2csc(Br)c2Br)cc1F 2344297132 UVVZWAKVFZTHHS-SECBINFHSA-N 476.962 6.044 50 10 JKGE Fc1cc(Cl)c(Br)c(Cl)c1[C@@H](Br)c1ccc(Cl)cc1Cl 2360426850 PAAUQXVAAHLJNF-NSHDSACASA-N 481.801 7.686 50 10 JKGE Cc1nn(C)c([C@@H](Cl)c2c(F)cc(Cl)c(Br)c2Cl)c1Br 2360487152 RJFYUZNKWIYWTE-NSHDSACASA-N 465.375 6.028 50 10 JKGE FC1(F)C[C@]12CCC[C@@H]([C@H](Cl)c1cc(Br)ccc1OCc1ccccc1)C2 2361212114 VFBHKXLVQIOYKY-TYCQWZJGSA-N 455.770 7.524 50 10 JKGE Brc1cc(Br)cc(O[C@@H]2C[C@@H](Br)C23CCCCCC3)c1 2364223670 YRFJRMLDCJYGDK-HUUCEWRRSA-N 467.039 6.467 50 10 JKGE C[C@@H](Br)CN(C(=O)c1ccc(Br)cc1Br)C1CCCC1 2368847578 PDJDQFYENDACLK-SNVBAGLBSA-N 468.027 5.380 50 10 JKGE COc1ccc(CCl)cc1OCc1ccc(I)c(Br)c1 2377289042 ZHEHXYDKRWSLRA-UHFFFAOYSA-N 467.528 5.380 50 10 JKGE FC(F)(F)[C@@H]1[C@@H](Cl)CCCN1Cc1ccc(I)c(Br)c1 2377351077 ALLXQSZTUHDZCS-JQWIXIFHSA-N 482.509 5.188 50 10 JKGE COc1ccc(/C=N/NC(=O)[C@H](C)Oc2cccc3ccccc23)cc1CSc1ccccn1 20311411 LSAKBMNUORTXLW-HJHSVFMCSA-N 471.582 5.453 50 10 JKGE COc1ccc(/C(C#N)=C\c2ccc(OC(=O)CC(c3ccccc3)c3ccccc3)c(OC)c2)cc1 31902236 RLWKRMWUHUZMBI-DIBXZPPDSA-N 489.571 6.896 50 10 JKGE CCOC(=O)c1ccc(NC(=O)/C(C#N)=C\c2ccc(-c3cc(Cl)ccc3Cl)o2)cc1 33339689 BYMGYMBJMOHLMO-PTNGSMBKSA-N 455.297 5.976 50 10 JKGE N#C/C(=C/c1ccc(-c2ccc(Cl)cc2)o1)C(=O)Nc1ncc(Cc2ccc(Cl)cc2)s1 33339796 BOHJMKVXPCXJFS-ATVHPVEESA-N 480.376 6.846 50 10 JKGE COc1ccc(-c2nn(-c3ccccc3)cc2/C=C(/C#N)c2nc(O)c3ccccc3n2)cc1C 34988462 RSCAWLQCYXGBHB-HKWRFOASSA-N 459.509 5.569 50 10 JKGE CCSc1ccc(-c2nn(-c3ccccc3)cc2/C=C(\C#N)C(=O)NC2CCCCC2)cc1 35445846 NXOQMPDBQGNULZ-HEHNFIMWSA-N 456.615 6.007 50 10 JKGE C=CCOc1ccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4ccc(C(C)(C)C)cc4)ccc32)cc1 38658001 OTKSMRYUYLOSHJ-MHZLTWQESA-N 480.564 5.986 50 10 JKGE Cc1cc(C)c2c(C)c(C(=O)Oc3ccc4c(c3)OC(N)=C(C#N)[C@H]4c3ccc(F)cc3)oc2c1 38688092 RFJLNQFGFSMLPE-VWLOTQADSA-N 468.484 5.935 50 10 JKGE COC(=O)c1c(NC(=O)/C(C#N)=C/c2ccc(-c3cccc(F)c3)o2)sc2c1CCCC2 39884915 CSRVPCYPBNGAOW-NTCAYCPXSA-N 450.491 5.358 50 10 JKGE O=C(NNc1ncnc(N(Cc2ccccc2)c2ccccn2)c1[N+](=O)[O-])c1cccc2ccccc12 40658739 FOTDYCPEDCDAKI-UHFFFAOYSA-N 491.511 5.028 50 10 JKGE CCN(C(=O)c1oc2c(c1C)/C(=N/NC(=O)c1ccc(Cl)cc1)CCC2)c1cccc(C)c1 40811693 WIOHXWHRCAWADO-SGWCAAJKSA-N 463.965 5.687 50 10 JKGE Cc1ccc(C(C)C)c(OC(=O)c2oc3c(c2C)/C(=N/NC(=O)c2ccc(Cl)cc2)CCC3)c1 40811700 UIXSSTKSHATZGG-XHLNEMQHSA-N 478.976 6.363 50 10 JKGE CCc1ccc(NC(=O)c2oc3c(c2C)/C(=N/NC(=O)c2ccc(Cl)c([N+](=O)[O-])c2)CCC3)cc1 40813430 MIURQMLAUSVONP-TURZUDJPSA-N 494.935 5.435 50 10 JKGE Cc1c(C(=O)N2CCCC[C@@H]2C)oc2c1/C(=N/NC(=O)COc1ccc(Cl)cc1Cl)CCC2 40816256 SCHUQTGKWLHKSO-UIBHDDBDSA-N 492.403 5.145 50 10 JKGE COc1cc(/C=C(\C#N)c2ccccc2)ccc1OC(=O)COc1ccc(C(C)(C)CC(C)(C)C)cc1 40851110 BSVIWVMWWCHQOA-XIEYBQDHSA-N 497.635 7.458 50 10 JKGE CCCCCCOc1ccc(/C=C(\C#N)C(=O)Oc2cccc(/C=C(\C#N)C(=O)OC)c2)cc1OC 40927105 RNXLKCUKJIEMQU-HOFJZWJUSA-N 488.540 5.247 50 10 JKGE COc1cc(/C=C(\C#N)C(=O)Nc2ccccc2)cc(Br)c1OCc1ccc(Cl)cc1 59485105 QMNHEUHDKWCJRN-WOJGMQOQSA-N 497.776 6.236 50 10 JKGE COc1cc(/C=C(\C#N)c2nc(-c3ccc(-c4ccccc4)cc3)cs2)cc(OC)c1OC(C)=O 102451986 IPWSRZZTJUUAFS-YDZHTSKRSA-N 482.561 6.484 50 10 JKGE Clc1cc(Br)ccc1[C@@H](Br)Cc1ccc(Br)cc1 104170466 RIYDZJZVCHNQHT-ZDUSSCGKSA-N 453.399 6.544 50 10 JKGE ClCCc1nc2cc(Br)ccc2n1-c1cc(Br)ccc1Br 110428372 SPNIZIBTKYITKA-UHFFFAOYSA-N 493.424 6.094 50 10 JKGE Clc1ccccc1CO[C@@H](CI)c1cccc(Br)c1 162013125 WULDTSSHWWOQDY-HNNXBMFYSA-N 451.529 5.795 50 10 JKGE C=C1CC[C@H](O[Si](C)(C)C(C)(C)C)C/C1=C\CP(=O)(c1ccccc1)c1ccccc1 196272847 OFSDSMTXHBTJEI-SSJNPLSYSA-N 452.651 7.057 50 10 JKGE CCCCCOc1ccc(/C=C2\C(=O)N([C@H](C)c3ccccc3)C(=O)C(C#N)=C2C)cc1OCC 214342961 AUGUAKZUETXBMP-ZALQFNEYSA-N 472.585 6.008 50 10 JKGE CCOc1cc(/C=C2\C(=O)N(C3CCCC3)C(=O)C(C#N)=C2C)ccc1OCc1ccccc1F 214362239 JTSLCZKFMVNJFY-HMAPJEAMSA-N 474.532 5.338 50 10 JKGE Fc1ccc(Br)c(F)c1C[C@H](CBr)c1ccc(Br)cc1 230376222 UFAWQXDFZCPBHX-SNVBAGLBSA-N 468.961 6.211 50 10 JKGE COc1ccc(Br)cc1[C@H](Cl)c1ccc(F)cc1I 234818068 VFXKIBAGQFBURH-CQSZACIVSA-N 455.492 5.530 50 10 JKGE Cc1cc(Br)c([C@H](Br)c2ccc(Cl)c(F)c2)cc1Br 235821997 YTLJDTOYFFBNRE-CQSZACIVSA-N 471.389 6.797 50 10 JKGE CCCCCCCc1ccc(C(=O)Oc2ccc(C=NNC(=O)c3ccc(OC)cc3)c(O)c2)cc1 254798817 UAPLUZVEWHNVMZ-UHFFFAOYSA-N 488.584 5.897 50 10 JKGE CCOc1ccc2ccccc2c1C=NNC(=O)CSc1cc(C)nc2c(C)cc(C)cc12 254839827 LFVKZEWJYXVMBK-UHFFFAOYSA-N 457.599 5.954 50 10 JKGE O=C(CSc1nnc(-c2ccccc2)s1)NN=Cc1cccc(OCc2ccc(Cl)cc2)c1 256028267 BTOCBZMZUUPJGJ-UHFFFAOYSA-N 495.029 5.680 50 10 JKGE Fc1ccc(-n2c(CCl)nc3c(Br)cccc32)c(I)c1 380710326 PHWTWDQYXHTCAW-UHFFFAOYSA-N 465.491 5.271 50 10 JKGE COc1cc(C)c(Br)cc1[C@@H](Br)c1nscc1Br 404755296 AWLHYNNBUYYWIA-LLVKDONJSA-N 455.997 5.469 50 10 JKGE Cc1ccc(CC(CBr)(CBr)C2CCCCC2)cc1Br 696837270 GQYKKLJLWRYZGU-UHFFFAOYSA-N 467.083 6.657 50 10 JKGE ClCc1nc2cccc(Br)c2n1-c1cc(I)ccc1Cl 697736750 OPHZICKWMOZXSJ-UHFFFAOYSA-N 481.946 5.785 50 10 JKGE Brc1csc([C@H](Br)c2cccc3ccccc23)c1Br 705469128 WAWLBLBHFCLOGZ-CYBMUJFWSA-N 461.016 6.911 50 10 JKGE Cn1ncc(Br)c1[C@H](Br)c1cc(Cl)c(Br)cc1F 710341385 YFYOKHIKNZDZBY-SNVBAGLBSA-N 461.354 5.222 50 10 JKGE CC[C@@H](C[C@@H](C)Br)Nc1ncc(C(F)(F)F)cc1I 716875369 WUJBVLLBLLDYPB-APPZFPTMSA-N 451.068 5.069 50 10 JKGE Fc1cccc(C[C@@H](Br)c2ccc(I)c(Br)c2)c1 721573175 OMQFBSPVZCIVBV-GFCCVEGCSA-N 483.944 5.872 50 10 JKGE Cc1cc(C)c([C@H](Cl)c2cccc(F)c2I)c(C)c1Br 721695773 BVHSPUPZILBUJY-OAHLLOKOSA-N 467.547 6.446 50 10 JKGE C[C@H](Cl)c1nc2cc(I)ccc2n1CC[C@H]1CCN(Cc2ccccc2)C1 723936241 BHRMWZSXNJUGIE-FUHWJXTLSA-N 493.820 5.853 50 10 JKGE CCOc1cc(C=NNC(=O)c2ccccc2O)ccc1OCc1ccc(Cl)cc1Cl 1084131208 CCVNPLGMRFJFLW-UHFFFAOYSA-N 459.329 5.441 50 10 JKGE C=CCOc1ccc(C=NNC(=O)c2ccc(CSCc3ccccc3)cc2)cc1OCC 1084136126 FUTAKSXVXWKFCP-UHFFFAOYSA-N 460.599 5.847 50 10 JKGE O=C(COc1ccc2cc(Br)ccc2c1Br)NN=C/C=C\c1ccccc1 1084194023 UXPIHDFFISYSLE-HOQLQHAKSA-N 488.179 5.559 50 10 JKGE C=CCc1cc(C=NNC(=O)CC[C@@H](O)c2ccccc2)cc(OCC)c1OCc1ccc(F)cc1 1084411435 BWHFXSGILYTXFU-AREMUKBSSA-N 490.575 5.496 50 10 JKGE Cc1ccc(NC(=O)/C(C#N)=C/c2cc(Br)c(Sc3ccc(Cl)cc3)o2)cc1C 1084514620 JXTWQSNLUGMAKI-XNTDXEJSSA-N 487.806 7.009 50 10 JKGE COC(=O)c1ccc([C@@H]2Nc3ccc(C(C)=NNC(=O)c4ccc(OC)cc4)cc3[C@@H]3C=CC[C@@H]32)cc1 1084522561 WRZGWHASULRWOL-QQNWGBJXSA-N 495.579 5.462 50 10 JKGE Cc1ccc(-n2c(C)cc(C=NNC(=O)C(=O)Nc3ccc(Oc4ccccc4)cc3)c2C)cc1C 1084580335 JXGXLJNYCLFQMC-UHFFFAOYSA-N 480.568 5.592 50 10 JKGE O=C(CSc1ccc(Cl)cc1)NN=Cc1ccc(OCc2ccc(Cl)cc2Cl)cc1 1084604162 AVHJEBDDXDJQQY-UHFFFAOYSA-N 479.816 6.468 50 10 JKGE CC(=NNC(=O)COc1ccccc1C)c1ccc2c(c1)[C@@H]1C=CC[C@@H]1[C@H](c1ccccc1Cl)N2 1084641223 CILNRWZYQODQDP-UETOGOEVSA-N 486.015 6.394 50 10 JKGE COc1cc(C=NNC(=O)[C@H](C)Oc2ccc(C(C)(C)C)cc2)ccc1OCc1ccccc1 1772756186 NFWSKBFBLMZIJL-FQEVSTJZSA-N 460.574 5.489 50 10 JKGE COc1cccc(C=NNC(=O)CSc2nc3ccccc3s2)c1OCc1ccccc1F 1772760345 DXNXMLMHLIAWHR-UHFFFAOYSA-N 481.574 5.265 50 10 JKGE CCc1nn(Cc2ccc(Cl)c(Cl)c2)c2c1[C@H](c1cccc3ccccc13)C(C#N)=C(N)O2 1865682434 OHJZCLRLUZIPSK-HSZRJFAPSA-N 475.379 6.172 50 10 JKGE COc1ccc2ccccc2c1[C@H]1C(C#N)=C(N)Oc2c1c(C(F)(F)F)nn2-c1ccccc1Cl 1865687827 BCMOZXFPKOGLSV-HXUWFJFHSA-N 496.876 5.924 50 10 JKGE Cc1nn(-c2cccc(Cl)c2)c2c1[C@@H](c1ccc(OCc3ccccc3)cc1)C(C#N)=C(N)O2 1865690319 OMPQHLDRQIKEJJ-VWLOTQADSA-N 468.944 5.631 50 10 JKGE CCn1nc(C(F)(F)F)c2c1OC(N)=C(C#N)[C@@H]2c1ccc(OCc2ccc(C)cc2)cc1 1865694385 XHQKPMCXGVIPPH-IBGZPJMESA-N 454.452 5.027 50 10 JKGE CCc1nn(Cc2ccc(Cl)c(Cl)c2)c2c1[C@@H](c1c[nH]c3ccccc13)C(C#N)=C(N)O2 1865699837 DLGIKKCIGZAGBJ-OAQYLSRUSA-N 464.356 5.500 50 10 JKGE CCCc1nn(CC(C)C)c2c1[C@@H](c1ccc(OCc3ccccc3Cl)cc1)C(C#N)=C(N)O2 1865703946 JJEUZQYAXKIQAK-DEOSSOPVSA-N 477.008 5.942 50 10 JKGE CCCc1nn(CC(C)C)c2c1[C@@H](c1cccc(OC)c1OCc1cccc(C)c1)C(C#N)=C(N)O2 1865704625 AGXYJWARUBFZGS-VWLOTQADSA-N 486.616 5.606 50 10 JKGE CCc1ccc([C@@H]2C(C#N)=C(N)Oc3c2c(-c2ccc(OC)cc2)nn3Cc2ccc(F)cc2)cc1 1865709632 YTBAQMWMDJRPDT-RUZDIDTESA-N 480.543 5.527 50 10 JKGE COc1ccc(-c2nn(-c3ccc(Cl)cc3)c3c2[C@@H](c2ccccc2C)C(C#N)=C(N)O3)cc1 1865712773 HKINNZSHQHDYOZ-QHCPKHFHSA-N 468.944 5.728 50 10 JKGE CCOc1cc(NC(=O)c2ccccc2)c(OCC)cc1NC(=O)/C(C#N)=C/c1cccc(Cl)c1 1866129745 JAXHAVJHKPWZAK-DEDYPNTBSA-N 489.959 5.935 50 10 JKGE Cc1ccc(C)c2c1C[C@@H](C)CN2c1cc(Nc2ccc(SC#N)cc2)nc(-c2ccc(F)cc2)n1 1868456592 RSYUVSWQTDRMFR-GOSISDBHSA-N 495.627 7.547 50 10 JKGE Cc1c(OCc2ccc(CCl)cc2)ccc2c1O/C(=C\c1ccc(Cl)c(Cl)c1)C2=O 1871436819 RJHMGCOWVNSYMS-JJFYIABZSA-N 459.756 7.236 50 10 JKGE CCc1ccc(-c2csc(/C(C#N)=C(\O)[C@H](CCSC)N3C(=O)c4ccccc4C3=O)n2)cc1 1872744458 SRPTWMMQIXMNCU-MBDQKHHZSA-N 489.622 5.583 50 10 JKGE C[C@@H](c1ccccc1)N1C[C@@H](/C(O)=C(\C#N)c2nc(-c3ccc(Cl)cc3Cl)cs2)CC1=O 1872744675 CMEOYVKFMAUABA-YGUNMCQPSA-N 484.408 6.519 50 10 JKGE COc1ccccc1-c1csc(/C(C#N)=C(\O)CCCOc2cc(C)c(Cl)c(C)c2)n1 1872747059 MCLJGDZILCFBEF-VZCXRCSSSA-N 454.979 6.741 50 10 JKGE CC[C@H](C)[C@H](/C(O)=C(\C#N)c1nc(-c2ccc(C(C)(C)C)cc2)cs1)N1C(=O)c2ccccc2C1=O 1872751151 UESNKORUSIIABN-BYWLSZILSA-N 499.636 6.611 50 10 JKGE Cc1ccc(OC/C(O)=C(\C#N)c2nc(-c3cccc4ccccc34)cs2)c(C(C)(C)C)c1 1872752078 MHEDRAXLYQJXFV-LVWGJNHUSA-N 454.595 7.441 50 10 JKGE CCOc1ccc(-c2csc(/C(C#N)=C(\O)c3cc(OC)c(OC)c(OC)c3)n2)c(OCC)c1 1872755506 QYPYRKRSIPFNMU-NKFKGCMQSA-N 482.558 5.583 50 10 JKGE COc1cc(/C=C(\C#N)c2nc(-c3ccccc3Cl)cs2)ccc1OCCc1ccccc1 1872780579 DVCHPWMYVTWFOR-RCCKNPSSSA-N 472.997 7.158 50 10 JKGE CCCCOc1c(Br)cc(/C=C(\C#N)c2nc(-c3ccccc3OC)cs2)cc1OC 1872784311 JVKDQOYRMSJWCR-GZTJUZNOSA-N 499.430 6.833 50 10 JKGE C[C@]1(Cn2c(CCl)nc3c(Br)cc(F)cc32)CCCN1Cc1ccccc1 1912683373 HCZSKINLBQYVLQ-OAQYLSRUSA-N 450.783 5.731 50 10 JKGE Cc1cc(Br)c(C(=O)N(Cc2ccccc2)[C@@H](C)CCBr)cc1Cl 1915079792 GGVXWRQAOJNTLI-AWEZNQCLSA-N 473.636 6.227 50 10 JKGE C[C@H](CCBr)N(Cc1ccccc1)c1ccccc1S(=O)(=O)C(F)(F)F 1915086678 LDRVIOQJNQSLCH-CQSZACIVSA-N 450.320 5.160 50 10 JKGE COc1cc(Br)ccc1C(=O)N(Cc1ccccc1)C(C)(C)CBr 1915755436 ALZLDACJLAWVLG-UHFFFAOYSA-N 455.190 5.274 50 10 JKGE Clc1ccc(C[C@@H](Br)c2cc(Br)sc2Br)nc1 1918226716 DYHKECGHEMUIKN-SECBINFHSA-N 460.416 6.000 50 10 JKGE Clc1ccc(I)c(CN2CC[C@]3(CCC[C@H]3Br)C2)c1 1918965459 UOKFJNKLNREBGW-HUUCEWRRSA-N 454.577 5.084 50 10 JKGE COc1cc(Br)ccc1[C@H](Br)[C@H](C)c1ccncc1Br 1924038371 DAASDAFXEKJEFX-RFAUZJTJSA-N 463.995 5.855 50 10 JKGE Cc1ccc([C@@H](Cl)c2c(Br)sc(Br)c2Br)cc1C 1924586255 VRZLBVNDITWKKY-LLVKDONJSA-N 473.455 6.981 50 10 JKGE CC1(C)CC[C@H](Br)[C@H](CNC(=O)c2cc(Br)c(Br)s2)C1 1927057860 JADXDOBSEKCODM-IUCAKERBSA-N 488.083 5.593 50 10 JKGE FC1(F)CC2(C[C@H]2[C@H](Br)c2cc(Br)sc2Br)C1 2015442606 HKCLSNAUYRTINZ-POYBYMJQSA-N 450.968 6.145 50 10 JKGE CCc1cc(Br)c([C@H](Br)c2cc(C)ccc2Br)s1 2029236384 WLFCOEISRXSXFT-CYBMUJFWSA-N 453.037 6.628 50 10 JKGE Cc1ccc([C@H](Cl)c2csc(Br)c2Br)c(C)c1Br 2032958301 AFPYMGYQMDHXNB-LBPRGKRZSA-N 473.455 6.981 50 10 JKGE COCC1([C@H](Br)c2cc(Br)sc2Br)CCCCC1 2033178751 CVHJWTBDAJASBF-LLVKDONJSA-N 461.057 6.306 50 10 JKGE Fc1cnccc1C[C@H](Br)c1ccc(I)c(Br)c1 2033939458 FQZVEOUAJHGIKQ-JTQLQIEISA-N 484.932 5.267 50 10 JKGE FC(F)(F)CC1([C@H](Br)c2cc(Br)ccc2Br)CC1 2056621281 PJMWFKPSWXZLMQ-SNVBAGLBSA-N 450.918 6.380 50 10 JKGE Cc1cc(Br)c(CBr)c(N2C[C@@H]3CCN(Cc4ccccc4)[C@H]3C2)c1 2068562525 OCNDHPOXZCYGGT-UWJYYQICSA-N 464.245 5.363 50 10 JKGE COc1cc(Cl)c([C@@H](Br)c2sccc2Br)cc1Br 2082377703 UAGRJMQJQODRTC-LLVKDONJSA-N 475.427 6.419 50 10 JKGE C[C@H]1Cc2cc([C@H](Br)c3csc(Br)c3)cc(Br)c2O1 2090467223 LUQDZEJLYDKTMF-CPFSXVBKSA-N 467.020 6.081 50 10 JKGE COc1sc([C@@H](Br)c2cc(C)cc(Br)c2F)cc1Br 2095771891 DMTPCVSAVYCEGX-NSHDSACASA-N 472.999 6.214 50 10 JKGE Cl[C@H](c1c(Br)sc(Br)c1Br)[C@H]1CC2(CCCC2)CO1 2109977109 ADZYRXHSOZDNTG-XCBNKYQSSA-N 493.486 6.665 50 10 JKGE Fc1cccc(CC[C@@H](Br)c2ccc(Br)cc2)c1Br 2113491195 MDIVNDMBSUYPHW-CYBMUJFWSA-N 450.971 6.420 50 10 JKGE C[C@@H]1CN(C(=O)c2csc(Br)c2Br)CC[C@H]1CCBr 2115846152 ZFQXAKPHOZCBOP-RKDXNWHRSA-N 474.056 5.156 50 10 JKGE Cc1cc(Br)c([C@H](Br)[C@H]2C[C@@H]3CCC[C@@H]3C2)cc1Br 2127046112 WAFWAPHILALUDD-AZKPJATDSA-N 451.040 6.782 50 10 JKGE COCC1([C@H](Br)c2c(C)c(Br)cc(C)c2Br)CCC1 2136373313 ZSEATIHHLFZNLE-CQSZACIVSA-N 455.028 6.081 50 10 JKGE O=C(Nc1ccc(CBr)cc1)c1ccc(Br)cc1I 2142285570 QWMDNGFSHCVOIP-UHFFFAOYSA-N 494.952 5.201 50 10 JKGE C[C@H]1Cc2cc([C@H](Br)c3cccc(Br)c3)cc(Br)c2O1 2146629074 QDKNEPRKHNAFFP-BJOHPYRUSA-N 460.991 6.019 50 10 JKGE Clc1cccc(C[C@@H](CBr)Cc2c(Br)cccc2Br)c1 2150496158 RQRKSWZVKYFTII-GFCCVEGCSA-N 481.453 6.661 50 10 JKGE BrC[C@@]12CCC[C@@H](CN(Cc3c(Br)cccc3Br)C1)C2 2199682277 HDGIEXLYAVOVQN-WBMJQRKESA-N 466.055 5.599 50 10 JKGE Fc1cc(Br)c([C@H](Cl)c2ccc(Br)c(Cl)c2)c(F)c1Cl 2201610642 IWXAFZJPJZKOCK-LLVKDONJSA-N 465.346 7.125 50 10 JKGE Cc1cc(C)c([C@@H](Cl)c2c(Br)sc(Br)c2Br)s1 2213681397 GAKQNPXNQXSFAW-QMMMGPOBSA-N 479.484 7.042 50 10 JKGE Cc1sc(C(=O)N(Cc2ccccc2)[C@H](CBr)C2CC2)c(C)c1Br 2213744397 KPBCYPDUQYCIET-MRXNPFEDSA-N 471.258 5.943 50 10 JKGE ClCc1cc(Br)cc(Br)c1OCc1ncsc1Br 2219010558 GWQQWWHZTMISIG-UHFFFAOYSA-N 476.415 5.748 50 10 JKGE CN(C(=O)OC(C)(C)C)C1CCC2(CCCN2CCCCCI)CC1 2220220226 PFFBIBCCOCFCDQ-UHFFFAOYSA-N 464.432 5.236 50 10 JKGE Clc1cc(Br)c([C@@H](Cl)c2ccccc2OCc2ccccc2)c(Cl)c1Cl 2224306488 DDDJNWIOBSYFIQ-SFHVURJKSA-N 491.039 8.317 50 10 JKGE Cc1c(Br)ccc([C@H](Br)[C@H]2CC[C@H]2C(F)(F)F)c1Br 2224380448 QYSASINRNGOWPY-LPBBDHJYSA-N 464.945 6.545 50 10 JKGE Brc1ccc([C@H](Br)[C@@H]2OC[C@@H]3CCCC[C@@H]32)c(Br)c1 2224952798 ORCWEZCWEUEOHX-LHAJWOIZSA-N 453.012 5.853 50 10 JKGE Cc1cc(Br)c([C@@H](Cl)c2cc3cscc3s2)c(C)c1Br 2235607897 HRWIDGMZAWGNEI-HNNXBMFYSA-N 450.648 7.433 50 10 JKGE Cc1ccc([C@H](Cl)c2ccc3c(c2Br)CCO3)cc1I 2238065686 HBPGWONXRBEFIO-INIZCTEOSA-N 463.540 5.625 50 10 JKGE C[C@@H](CCCl)N(Cc1ccccc1)C(=O)c1ccc(Cl)c(I)c1 2243593425 KVTZWIOWDDZANG-ZDUSSCGKSA-N 462.158 5.604 50 10 JKGE COc1cc(F)c([C@H](Br)c2scc(Br)c2Cl)cc1Br 2264605232 MOSHVFYSGIMSAP-JTQLQIEISA-N 493.417 6.559 50 10 JKGE COc1ccc([C@H](Br)c2ccccc2Br)c(Br)c1Cl 2268263711 KXHQEINMVWQSMG-GFCCVEGCSA-N 469.398 6.358 50 10 JKGE COc1c(Br)cc(Cl)c(C)c1[C@H](Br)c1sccc1Br 2277902465 YNOAGNOVMLELKW-NSHDSACASA-N 489.454 6.728 50 10 JKGE Cc1cc(Br)c([C@H](Br)C[C@@H]2CCCCC23CC3)cc1Br 2279675310 UUBOWQVVZAOFOB-BLLLJJGKSA-N 465.067 7.317 50 10 JKGE C[C@H]1CCC[C@@H](CCOc2c(Br)cc(Br)cc2CBr)C1 2279845051 KYMGSXPKSQOPIK-RYUDHWBXSA-N 469.055 6.702 50 10 JKGE Fc1cc(Br)c(F)c(Br)c1[C@@H](Br)[C@H]1CCCC2(CC2)C1 2288346797 LXURTMFJCZKZBS-UFBFGSQYSA-N 472.993 6.896 50 10 JKGE N#CC(C(=O)NCc1ccccc1)=C1S[C@H](Cc2cccc(Cl)c2)C(=O)N1c1ccc(F)cc1 2293039164 KHADTKVHOWSOBV-HSZRJFAPSA-N 491.975 5.222 50 10 JKGE COc1ccc(C=C(C#N)C(=O)N[C@@H](C)c2ccccc2)cc1COc1cccc(C(F)(F)F)c1 2295672224 CRLJZWIJYHNCIP-SFHVURJKSA-N 480.486 6.077 50 10 JKGE COc1ccccc1NC(=O)C(C#N)=C1S[C@@H](Cc2cccc(C)c2)C(=O)N1c1ccccc1 2295987633 DNMCTGBRSGKUOP-DEOSSOPVSA-N 469.566 5.069 50 10 JKGE C[C@H]([C@@H]1CCCO1)[C@@H](Br)c1ccc(OCc2ccccc2)cc1Br 2299535946 UXLMPYWCHQJION-VOBQZIQPSA-N 454.202 6.279 50 10 JKGE COc1cc(C=C(C#N)C(=O)NCc2cccs2)ccc1OCc1ccc(Br)cc1 2313540663 NMJZITWPCCTEGY-UHFFFAOYSA-N 483.387 5.322 50 10 JKGE COc1cc(C=C(C#N)C(=O)Nc2ccc(C)cc2)cc(Cl)c1OCc1ccc(F)cc1 2313568221 PTZFTIMIDSZHSH-UHFFFAOYSA-N 450.897 5.921 50 10 JKGE C=CCOc1ccc(C=C(C#N)C(=O)Nc2cccc(Cl)c2Cl)cc1I 2313570692 DDWASGYIBQMAEP-UHFFFAOYSA-N 499.135 5.708 50 10 JKGE CCOc1ccc(NC(=O)C(C#N)=Cc2cc(OCC)c(OCC)cc2Br)cc1 2313738933 ZKOGYEFWBQHLAF-UHFFFAOYSA-N 459.340 5.191 50 10 JKGE N#CC(=Cc1ccc(-c2cccc(Cl)c2)o1)C(=O)Nc1sc2c(c1C(N)=O)CCCC2 2314571909 OLIXORWIDZMIKF-UHFFFAOYSA-N 451.935 5.185 50 10 JKGE Cc1ccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)C=Cc4ccc(Cl)cc4Cl)ccc32)o1 2314634677 WXLFTFIZFBCLQX-HSZRJFAPSA-N 467.308 5.732 50 10 JKGE CCOC(=O)c1c(NC(=O)C(C#N)=Cc2ccccc2)sc(C)c1-c1ccc(Cl)cc1 2314754621 XBGJUNQORHIGOG-UHFFFAOYSA-N 450.947 6.099 50 10 JKGE Cc1cscc1[C@@H](Br)c1c(Cl)cc(Br)c(F)c1Br 2315445310 KRNUZHRBRBUFPR-SNVBAGLBSA-N 477.418 6.858 50 10 JKGE CCOc1ccccc1[C@@H](Br)c1sc(Cl)cc1I 2316769019 FNKNNICCHQGERJ-GFCCVEGCSA-N 457.558 5.889 50 10 JKGE Clc1cc(Cl)cc(CC[C@@H](Br)c2csc(I)c2)c1 2318647569 KZNBBKIGNNQOSZ-GFCCVEGCSA-N 476.004 6.728 50 10 JKGE Cc1c(Br)sc([C@H](Br)C23CC(C[C@@H](C)O2)C3)c1Br 2319572177 ZTXHTJUCTNVAIS-ODHKBPHKSA-N 459.041 5.975 50 10 JKGE CCCCCCCCCOc1ccc(C=NNC(=O)Cn2c(O)nc3ccccc3c2=O)c(Cl)c1 2328808958 JEWXSCAVRHJBAT-UHFFFAOYSA-N 499.011 5.035 50 10 JKGE C[C@H](c1ccccc1)N1C[C@@H](C(O)=C(C#N)c2nc(-c3cccc([N+](=O)[O-])c3)cs2)CC1=O 2331232896 WSDNGXLMYUEDNL-QAPCUYQASA-N 460.515 5.121 50 10 JKGE N#CC(=C(O)CCCOc1ccc(Cl)cc1)c1nc(-c2ccc(Cl)cc2Cl)cs1 2331254680 NVIJASHEOZINSY-UHFFFAOYSA-N 465.789 7.422 50 10 JKGE COCCCN1C(=O)c2ccc(C(O)=C(C#N)c3nc(-c4cccc(Cl)c4)cs3)cc2C1=O 2331293851 KRKYOBFBJUDLPE-UHFFFAOYSA-N 479.945 5.046 50 10 JKGE CCOc1ccc(-c2csc(C(C#N)=C(O)[C@@H]3CC(=O)N(c4c(C)cccc4CC)C3)n2)cc1 2331305482 HTVCSHZRZQMHPY-HXUWFJFHSA-N 473.598 5.925 50 10 JKGE CCOC(=O)c1ccc(N2C[C@@H](C(O)=C(C#N)c3nc(-c4ccc(C)cc4)cs3)CC2=O)cc1 2331312695 PAVTXWZAYOEGEF-IBGZPJMESA-N 473.554 5.141 50 10 JKGE N#CC(=C(O)Cc1ccc(Br)cc1)c1nc(-c2ccc(Oc3ccccc3)cc2)cs1 2331358654 YSOQUVJKGJAUCE-UHFFFAOYSA-N 489.394 7.400 50 10 JKGE COc1ccc(-c2csc(C(C#N)=C(O)c3ccc(N4CCCC4)c([N+](=O)[O-])c3)n2)c(C)c1C 2331362760 LMBQEKTVLOABGV-UHFFFAOYSA-N 476.558 5.894 50 10 JKGE COc1c(C)cc(C)cc1-c1csc(C(C#N)=C(O)CCCOc2ccc(Cl)cc2)n1 2331373118 BNPZTUKQOIWGFP-UHFFFAOYSA-N 454.979 6.741 50 10 JKGE COc1ccc(-c2csc(C(C#N)=C(O)COc3ccc(C)cc3C)n2)c(OC)c1OC 2331412534 GYDNZYYSOJOHIZ-UHFFFAOYSA-N 452.532 5.324 50 10 JKGE COc1cccc(C=C(C#N)c2nc(-c3ccc(C(C)C)cc3)cs2)c1OCc1cccc(C)c1 2331457795 JHNFKOAKLFFOCW-UHFFFAOYSA-N 480.633 7.894 50 10 JKGE FC(F)(F)C1([C@@H](Br)c2ccc(OCc3ccccc3)cc2Br)CCCC1 2336039854 AMIWKXKJRIXBKP-SFHVURJKSA-N 492.173 7.587 50 10 JKGE CO[C@@H]1C[C@@]2([C@H](Br)c3c(C)cc(Br)c(F)c3Br)C[C@@H]12 2339653448 JIPQGZJPHZRZBM-JJTDGREXSA-N 456.975 5.520 50 10 JKGE Cc1cc(Br)c(F)c(Br)c1[C@@H](Br)[C@@H]1C[C@H]1CC(C)C 2339679059 JRQBLWOJGDGTKN-BREBYQMCSA-N 457.019 6.777 50 10 JKGE Fc1cc(Br)c(Br)cc1[C@@H](Br)[C@H]1C[C@@H](C(F)(F)F)C1 2352761252 QBAUIECHBQVYGW-CPZGKSPBSA-N 468.908 6.375 50 10 JKGE FC(F)(F)c1ccc([C@H](Cl)c2ccc(OCc3ccccc3)cc2Br)cc1 2361213201 BIUSMYMLSAAHOA-FQEVSTJZSA-N 455.701 7.375 50 10 JKGE C[C@H](CCBr)CCN1CC[C@@H](CCNC(=O)OC(C)(C)C)C[C@@H]1C(F)(F)F 2362814046 ONFYCFFKYPWFKS-BZUAXINKSA-N 459.391 5.355 50 10 JKGE Cc1cc(Br)c(F)c(Br)c1[C@H](Br)[C@@H]1C[C@@H]2CC[C@H](C1)O2 2365226254 SFDYJYYZTAGCEA-BSTOTGJRSA-N 471.002 6.053 50 10 JKGE CN(Cc1ccc(Cl)cc1I)C1(CBr)CC2(CCC2)C1 2366700031 SRLXAIOGXHVVDN-UHFFFAOYSA-N 468.604 5.474 50 10 JKGE Clc1ccc(CN2CCC3(CCC3)[C@@H](CBr)C2)c(I)c1 2366708825 DTNNTDYYOUFFFA-ZDUSSCGKSA-N 468.604 5.332 50 10 JKGE FC1(F)[C@@H]2CC(CO[C@@H](CI)c3cccc(Br)c3)C[C@H]21 2369977958 KBEXSYCIQXAARR-MCIONIFRSA-N 457.096 5.233 50 10 JKGE COc1c(F)cc([C@H](Cl)c2cc(Br)ccc2I)cc1F 2370435441 WYHUWVZTLJTREQ-ZDUSSCGKSA-N 473.482 5.669 50 10 JKGE O=C(NNC(=S)NC(=O)c1sc2ccccc2c1Cl)c1ccc(OCc2ccccc2)cc1 14028008 IBPMMKHHBRQKEA-UHFFFAOYSA-N 496.013 5.083 50 10 JKGE CC(C)(C)c1ccc(C=NNC(=O)CSc2nc3ccccc3n2Cc2ccc(Cl)cc2)cc1 19833158 OCMXEBPWBDKLKG-UHFFFAOYSA-N 491.060 6.278 50 10 JKGE COc1ccc2cc(/C=C(/C#N)c3nc(-c4ccc(Br)cc4)cs3)c(Cl)nc2c1 33391227 RNBWVRFCCNGREH-SXGWCWSVSA-N 482.790 6.847 50 10 JKGE CCCOc1ccc(-c2nn(-c3ccccc3)cc2/C=C(\C#N)c2nc(O)c3ccccc3n2)c(C)c1 34988457 MNOSAXFCFIIOAY-HEHNFIMWSA-N 487.563 6.350 50 10 JKGE CCCOc1ccc(-c2nn(-c3ccccc3)cc2/C=C(/C#N)C(=O)Nc2ccc(C)cc2)cc1Cl 35447352 NBMLATBSYKFWOW-JWGURIENSA-N 496.998 6.836 50 10 JKGE C[C@@H](Oc1ccc(F)cc1)C(=O)Oc1ccc2c(c1)OC(N)=C(C#N)[C@@H]2c1ccc(Cl)cc1Cl 38655445 KDBSWKXDLYMISG-JCQPUDPBSA-N 499.325 5.724 50 10 JKGE C=CCOc1ccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4ccc(OCC)cc4)ccc32)cc1OC 38680986 JDEQPKJRHNQDSB-HHHXNRCGSA-N 498.535 5.096 50 10 JKGE N#CC1=C(N)Oc2cc(OC(=O)c3ccccc3)ccc2[C@@H]1c1ccc(OCc2ccc(F)cc2)cc1 38686431 KSCFGUHNEUZRMU-NDEPHWFRSA-N 492.506 5.842 50 10 JKGE N#C/C(=C\c1c(Oc2ccc(F)cc2)nc2ccccn2c1=O)C(=O)Nc1cccc(C(F)(F)F)c1 39992958 BQROSRSTGGVAPQ-NTCAYCPXSA-N 494.404 5.190 50 10 JKGE Cc1ccc(Cl)cc1Nc1ncnc(NNC(=O)C(c2ccccc2)c2ccccc2)c1[N+](=O)[O-] 40592891 OSKBBHLKYFAIQW-UHFFFAOYSA-N 488.935 5.365 50 10 JKGE CCOc1ccc(Br)cc1/C=N/NC(=O)[C@H](C)Oc1cc(C)c(Cl)c(C)c1 40960422 BYDDDQZXZARCET-BMYBCIMUSA-N 453.764 5.036 50 10 JKGE O=C(COc1ccc(/C=N\NC(=O)c2ccc(Cl)cc2Cl)cc1)Nc1cccc(Cl)c1 58883040 ACAXGPWGELLZDY-ZRGSRPPYSA-N 476.747 5.428 50 10 JKGE COC(=O)c1cccc(Cn2cc(/C=C(\C#N)C(=O)Nc3cccc(OC)c3)c3ccccc32)c1 59291870 FECSVSHFQZTEOA-KGENOOAVSA-N 465.509 5.030 50 10 JKGE N#C/C(=C\c1ccccc1OCc1ccccc1Cl)C(=O)N1CCN(c2ccccc2)CC1 59676561 DOHJFBQAGVYCHJ-PTGBLXJZSA-N 457.961 5.175 50 10 JKGE CC(C)(C)OC(=O)n1nc(-c2cccc(F)c2)c2cc(CI)ccc21 89195702 MUKHNZCEZHCXJW-UHFFFAOYSA-N 452.267 5.561 50 10 JKGE COC(=O)c1c(-n2c(C)cc(/C=C(/C#N)C(=O)NCc3cccs3)c2C)sc2c1CCCC2 100278354 DNBXDODRBNDKTH-PDGQHHTCSA-N 479.627 5.106 50 10 JKGE CCN1C(=O)C(C#N)=C(C)/C(=C\c2cn(-c3ccccc3)nc2-c2ccc(OCC(C)C)c(C)c2)C1=O 101332492 SZWMZMJNPYOWSW-MFKUBSTISA-N 494.595 5.495 50 10 JKGE Brc1ccc(Br)c([C@H](Br)c2ccccc2Br)c1 104041652 YWJAPRHQYYNSBX-CYBMUJFWSA-N 483.823 6.458 50 10 JKGE Clc1ccc(C(CBr)(CBr)Cc2ccc(Br)cc2)cc1 118876990 GIKHWFZHVMXABA-UHFFFAOYSA-N 481.453 6.373 50 10 JKGE Cc1cc(Br)c(NS(=O)(=O)c2ccc(CBr)cc2)cc1Cl 127747138 ZSTIXNZLEARRNS-UHFFFAOYSA-N 453.583 5.107 50 10 JKGE Clc1cc(Br)ccc1C[C@H](CBr)c1ccccc1Br 168958191 IIMOOMCOXFWFSO-LLVKDONJSA-N 467.426 6.586 50 10 JKGE CC(C)COc1c(Cl)cc(/C=N\NC(=O)c2ccc3[nH]c4c(c3c2)CCCC4)cc1Cl 169890161 XBSAICXRJXRYGX-PPDIBHTLSA-N 458.389 6.152 50 10 JKGE COc1ccc(CCN2C(=O)C(C#N)=C(C)/C(=C/c3ccc(OCc4ccc(C)cc4)cc3)C2=O)cc1 214404714 NOFDQYWBCCXONB-VEILYXNESA-N 492.575 5.418 50 10 JKGE CC[C@@H](N/C=C(/C#N)C(=O)Nc1ccc(Oc2ccccc2)cc1)c1ccc2c(c1)CCCC2 217210227 HRDVOQWFEUNVMG-HVHHJAFASA-N 451.570 6.445 50 10 JKGE Cc1cc([C@H](Br)c2cccc(Br)c2Cl)c(C)cc1Br 228453280 IPGJCUASILUELH-CQSZACIVSA-N 467.426 6.966 50 10 JKGE COc1cc(Cl)c([C@@H](Br)c2cccc(Br)c2Cl)cc1Cl 228454377 ZPZHVTBSAYGTPD-ZDUSSCGKSA-N 459.392 6.902 50 10 JKGE COc1cc(F)c(Br)cc1[C@@H](Cl)c1ccc(Br)cc1Br 234877791 PGZBQTLJMZBHFV-AWEZNQCLSA-N 487.388 6.450 50 10 JKGE COc1ccc([C@@H](Br)c2cc(Br)ccc2I)cc1 234971801 NMOBUTJXGJHPRJ-CQSZACIVSA-N 481.953 5.547 50 10 JKGE C[C@H](c1ccccn1)[C@@H](Br)c1cc(I)ccc1Br 235249423 HYMFDODRNBKYRL-YMTOWFKASA-N 480.969 5.688 50 10 JKGE Cc1cc([C@H](Br)c2cc(I)ccc2Br)c(C)s1 235860173 PDOLSKSPYWZQEM-ZDUSSCGKSA-N 486.010 6.216 50 10 JKGE COc1ccc(C=NNC(=O)c2sc3ccccc3c2Cl)cc1CSc1ccccn1 252631144 VITBPTKIYWYNHC-UHFFFAOYSA-N 468.003 6.015 50 10 JKGE O=C(N/N=C(\Cc1ccccc1)c1ccc(-c2ccccc2)cc1)c1ccc(N2CCCC2=O)cc1 253571113 ONELCFIKNOYERB-UUDCSCGESA-N 473.576 5.857 50 10 JKGE Cc1coc2cc3oc(=NNC(=O)Nc4cccc5ccccc45)cc(-c4ccccc4)c3cc12 254407343 BKUBDJDTAHPKTJ-UHFFFAOYSA-N 459.505 6.945 50 10 JKGE CCCCCCCCOc1ccc(-c2cc(C(=O)NN=Cc3ccc(O)c(OCC)c3)[nH]n2)cc1 254411570 OTDPFOITFDZKSD-UHFFFAOYSA-N 478.593 5.684 50 10 JKGE Cc1nn(-c2ccccc2)c(Cl)c1C=NNC(=O)[C@@]1(C)CC[C@H](c2nc3ccccc3[nH]2)C1(C)C 254573542 RSKPKTQRNONGQM-NFQMXDRXSA-N 489.023 5.771 50 10 JKGE CCCCCCCCCC(=O)NN=Cc1ccc(OC(=O)c2ccc(OCCCC)cc2)cc1 254596786 XYVTWBDNOGZGBG-UHFFFAOYSA-N 466.622 6.676 50 10 JKGE CC(=NNC(=O)c1c[nH]c2ccccc12)c1cccc(NC(=O)C(F)(F)C(F)(F)C(F)(F)F)c1 254632024 SNPMBPCQDATJKU-UHFFFAOYSA-N 488.363 5.093 50 10 JKGE CSc1ccc(C=NNC(=O)CSc2nnc(SCc3cccc4ccccc34)s2)cc1 263625817 PXBVKXOEUAISRM-UHFFFAOYSA-N 496.708 5.948 50 10 JKGE Clc1ccc(I)c([C@H](Cl)c2cc3c(cc2Br)OCC3)c1 308439076 USMGHLITKBCUEZ-OAHLLOKOSA-N 483.958 5.970 50 10 JKGE COc1ccc([C@@H](Br)c2sccc2I)cc1Br 379747124 AEAJXIHUJFTMAI-LLVKDONJSA-N 487.982 5.608 50 10 JKGE FC(F)(F)c1csc([C@H](Cl)c2ccc(Cl)cc2Br)c1Br 383668509 SJYQSTDLQPAUDO-SNVBAGLBSA-N 468.947 7.274 50 10 JKGE Cc1cc([C@@H](Br)c2cc(Br)c(Br)s2)c(C)cc1F 386408328 JDPLIOZQJYTWGQ-GFCCVEGCSA-N 457.000 6.513 50 10 JKGE BrCc1c(Br)cccc1N1C[C@@H]2CCN(Cc3ccccc3)C[C@@H]2C1 394701331 IWGCTLLDUZABJN-ZWKOTPCHSA-N 464.245 5.302 50 10 JKGE C[C@@H]1CN(Cc2ccccc2)CC[C@@H]1n1c(CCl)nc2cc(Br)c(F)cc21 397948462 JUDKAZRYIREIJY-KUHUBIRLSA-N 450.783 5.760 50 10 JKGE CC(C)(C)[Si](C)(C)OCCc1cccc([C@H]2CCc3ccccc3N2Cc2ccccc2)c1 616668207 SMQSKVRGFSQADS-GDLZYMKVSA-N 457.734 7.945 50 10 JKGE CC1(C)COc2ccc([C@@H](Br)c3scc(Br)c3Br)cc21 705462386 FTBGNNLQEORZNF-GFCCVEGCSA-N 481.047 6.427 50 10 JKGE Cc1cc([C@@H](Br)c2scc(Br)c2Br)c(C)cc1F 705473577 AWTHRWMZYJKLGA-LLVKDONJSA-N 457.000 6.513 50 10 JKGE Cc1ccc([C@@H](Cl)c2ccc(F)cc2I)c(C)c1Br 719579773 ZHSZEUZCSOOKFH-OAHLLOKOSA-N 453.520 6.138 50 10 JKGE COc1ccc(CSCC(=O)NN=Cc2c(Br)c(C)n(-c3ccccc3)c2C)cc1 1083929442 QQKYQTLXEIURLF-UHFFFAOYSA-N 486.435 5.249 50 10 JKGE Cc1cc(C=NNC(=O)c2ccccc2Br)c(C)n1-c1cccc(C(=O)OC(C)C)c1 1084107336 DUHLWULQQKANQS-UHFFFAOYSA-N 482.378 5.186 50 10 JKGE Cc1ccc(C(CSc2nc3ccccc3s2)=NNC(=O)c2cccc([N+](=O)[O-])c2)c(C)c1 1084157616 XBKVBXXPYNFWTO-UHFFFAOYSA-N 476.583 5.748 50 10 JKGE CCOc1cc(C=NNC(=O)c2ccccc2Br)ccc1OCc1cccc(Cl)c1 1084318642 NQOZFULNNPIZEU-UHFFFAOYSA-N 487.781 5.844 50 10 JKGE COc1ccc(C(CSc2nc3ccccc3s2)=NNC(=O)c2cccc([N+](=O)[O-])c2)cc1 1084561343 VNGNHHSZUNAMAW-UHFFFAOYSA-N 478.555 5.140 50 10 JKGE Cc1c(C(=O)NN(c2ccccc2)c2ccccc2)oc2c1C(=NNc1ccccc1)CC(C)(C)C2 1772729176 IEGYUBGHBSXJDW-UHFFFAOYSA-N 478.596 6.860 50 10 JKGE Cc1c(Cl)cccc1NC(=O)c1oc2c(c1C)C(=NNC(=O)Cc1ccc([N+](=O)[O-])cc1)CCC2 1772746315 AKRFJPCFEWVUJS-UHFFFAOYSA-N 494.935 5.110 50 10 JKGE Cc1c(C(=O)N(Cc2ccccc2)Cc2ccccc2)oc2c1C(=NNC(=O)c1ccccn1)CCC2 1772747619 RFFNNRGZSIFMMD-UHFFFAOYSA-N 492.579 5.296 50 10 JKGE COC(=O)c1ccccc1NC(=O)c1oc2c(c1C)C(=NNC(=O)c1cccc3ccccc13)CCC2 1772748724 SUFAXYSVUDPIFQ-UHFFFAOYSA-N 495.535 5.251 50 10 JKGE CSc1ccc2c(c1)N(CC[C@H]1CCCCN1C(=O)O[C@@H](C)Cl)c1ccccc1S2 1848437282 DNTNLZCGUXXZRG-DLBZAZTESA-N 463.068 6.977 50 10 JKGE Cc1ccc(Cn2nc(-c3ccccc3)c3c2OC(N)=C(C#N)[C@@H]3c2ccc(Cl)cc2)cc1 1865683093 FWTXWQYUJGNNOQ-QHCPKHFHSA-N 452.945 5.778 50 10 JKGE CCCOc1ccccc1[C@H]1C(C#N)=C(N)Oc2c1c(C(F)(F)F)nn2-c1cccc2ccccc12 1865702435 AEWBTYPVTXPQEJ-QFIPXVFZSA-N 490.485 6.051 50 10 JKGE N#CSc1ccc(NC(=O)[C@@H](Cc2ccccc2)NC(=O)CCCC(=O)c2cccs2)cc1 1866796122 VHGJFETUTGTJDW-OAQYLSRUSA-N 477.611 5.040 50 10 JKGE CC[C@@H](NC(=O)[C@@H](c1ccc(OC)cc1)C1CCCC1)C(=O)Nc1ccc(SC#N)cc1 1867010807 HAVLHMIGWRKRLG-DHIUTWEWSA-N 451.592 5.076 50 10 JKGE Cc1ccccc1-c1nc(Nc2ccc(SC#N)cc2)cc(N2CCO[C@@H](c3cccnc3)C2)n1 1868300853 JEOZFONTJANHRC-XMMPIXPASA-N 480.597 5.742 50 10 JKGE COc1cccc(-c2csc(/C(C#N)=C(\O)[C@@H](CCSC)N3C(=O)c4ccccc4C3=O)n2)c1 1872744345 NQBAGTFRMMFGEG-DQVIVYRFSA-N 491.594 5.029 50 10 JKGE CC[C@@H](C)[C@@H](/C(O)=C(\C#N)c1nc(-c2ccc(OC)c(F)c2)cs1)N1C(=O)c2ccccc2C1=O 1872752853 WGLNAOGSFWGGIC-GWKSXPLXSA-N 491.544 5.461 50 10 JKGE COc1cc(Cl)c(C)cc1-c1csc(/C(C#N)=C(\O)CNC(=O)c2ccc(C(C)(C)C)cc2)n1 1872755373 KIYKVBGMWVORHW-QOCHGBHMSA-N 496.032 6.301 50 10 JKGE COc1ccc(-c2csc(/C(C#N)=C(\O)CCCOc3ccc(Cl)cc3)n2)cc1Cl 1872757684 REKIJZSIULVWHO-JZJYNLBNSA-N 461.370 6.777 50 10 JKGE CCOc1cc(/C(O)=C(\C#N)c2nc(-c3ccc(Cl)s3)cs2)cc(OCC)c1OCC 1872757822 XPFWVJLKFXUZSD-ZHZULCJRSA-N 477.007 6.671 50 10 JKGE COc1c(Cl)cc(-c2csc(/C(C#N)=C/c3ccc(Cl)c(Cl)c3)n2)cc1Cl 1872794419 AIWQYJFUHPEWGW-UUILKARUSA-N 456.181 7.496 50 10 JKGE COc1ccc(C)cc1-c1csc(/C(C#N)=C(\O)Cc2ccc(OCc3ccccc3)cc2)n1 1873920212 ADHZWDYZBXCLTC-LCUIJRPUSA-N 468.578 6.742 50 10 JKGE C[C@H](/C(O)=C(\C#N)c1nc(-c2ccc3ccccc3c2)cs1)N1C(=O)c2ccccc2C1=O 1873940933 NZZWJANTYSJDCN-GJGNJIHCSA-N 451.507 5.441 50 10 JKGE Cc1csc([C@@H](Br)c2sc(Cl)cc2I)c1Cl 1901026583 QZBZCPCULROPDR-ZETCQYMHSA-N 468.006 6.514 50 10 JKGE O=S(=O)(c1c(Cl)cccc1Br)N(Cc1ccccc1)[C@@H](CCl)C1CC1 1915145070 ZDMLXVRPNNJOPU-KRWDZBQOSA-N 463.224 5.311 50 10 JKGE Brc1cc(Br)c([C@H](Br)[C@@]23CCCC[C@@H]2CCC3)s1 1922893271 FHMQNLCUTMHMFY-BIGNPOOSSA-N 457.069 7.070 50 10 JKGE Fc1cc(Br)cc([C@@H](Cl)c2c(Br)sc(Br)c2Cl)c1 1923040704 WCLRIUAOWBXLMQ-MRVPVSSYSA-N 497.836 7.156 50 10 JKGE C[C@](CBr)(Cc1ccc(Br)cc1Br)C1CCCCC1 1923888573 CSYZCEDZTAOPKH-MRXNPFEDSA-N 453.056 6.736 50 10 JKGE CC[C@H]1CN(c2ccc(Br)cc2CBr)CCN1Cc1ccccc1 1946745391 XSEIAJAUHZLQAZ-IBGZPJMESA-N 452.234 5.445 50 10 JKGE Cc1cc([C@@H](Br)c2c(Br)sc(Br)c2Cl)oc1C 2015326273 MCZBMUGCNCRXAH-MRVPVSSYSA-N 463.416 6.621 50 10 JKGE BrCc1cc(Br)ccc1N1CC[C@]2(CCN(Cc3ccccc3)C2)C1 2044883729 BOLWHSTXDIWTPX-NRFANRHFSA-N 464.245 5.446 50 10 JKGE Cc1c(Br)sc([C@H](Br)[C@@H]2COCCC2(F)F)c1Br 2047876495 WKDZPCAXQBRNDX-POYBYMJQSA-N 468.983 5.689 50 10 JKGE Cc1cc(Br)c(CBr)c(N(C)Cc2cnn(Cc3ccccc3)c2)c1 2053218220 DPGLEGJBLTZWAB-UHFFFAOYSA-N 463.217 5.534 50 10 JKGE COc1cc(Cl)c([C@H](Br)c2ccc(Br)o2)cc1Br 2082376728 KKUNLNOGRGMSDH-LBPRGKRZSA-N 459.359 5.951 50 10 JKGE ClCc1ccc(OCc2cccc(Br)c2Br)c(Br)c1 2092331594 VVIJYBHXXQBZNW-UHFFFAOYSA-N 469.398 6.292 50 10 JKGE FC1CCC(COc2c(Br)cc(Br)cc2CBr)CC1 2092995212 NHFUICLTTKRYRM-UHFFFAOYSA-N 458.991 6.014 50 10 JKGE BrC[C@]12CCC[C@@H]1N(c1ncc(Br)cc1Br)CCC2 2108954961 YVQOPBWGFJNCBH-GXTWGEPZSA-N 453.016 5.141 50 10 JKGE Fc1ccc(Br)c(Oc2cc(Br)cc(F)c2CBr)c1 2114264548 PGLJYFPKYLVRQQ-UHFFFAOYSA-N 456.906 6.177 50 10 JKGE Brc1ccc(CN2C[C@@H](Br)C3(CCCC3)C2)c(Br)c1 2117737136 KTOCXMSYKWOIIM-CQSZACIVSA-N 452.028 5.351 50 10 JKGE C[C@@H]1OCC[C@@H]1CC(CBr)(CBr)c1cccc(Br)c1 2121121464 BIVRLUCQMRZFNL-NWDGAFQWSA-N 455.028 5.292 50 10 JKGE Cc1cc(Br)c(C(=O)NCCSSCCNC(=O)OC(C)(C)C)cc1Cl 2125299357 HMUIWKMCUFONPJ-UHFFFAOYSA-N 483.881 5.047 50 10 JKGE Cc1c(Br)ccc([C@@H](Br)C2C[C@@H]3CC[C@H](C2)O3)c1Br 2138849332 DOTSIJUCKXBEPA-GUSCCFJKSA-N 453.012 5.914 50 10 JKGE C[C@@H]1CN(Cc2ccc(I)c(Cl)c2)CC[C@H]1CCBr 2142942072 AIBBWWQLUCJWQO-DGCLKSJQSA-N 456.593 5.188 50 10 JKGE C[C@H](CBr)[C@H]1CCCCN1C(=O)c1cccc(Br)c1Br 2148748209 AJDWHEWNTKOTIZ-ZWNOBZJWSA-N 468.027 5.237 50 10 JKGE O=C(NC[C@H]1CC12CCC(Br)CC2)c1cc(Br)c(Br)s1 2157506887 YXRPYCYCPRJRCI-NQTXRORDSA-N 486.067 5.347 50 10 JKGE C[C@H](Cl)c1nc2cc(Br)c(Cl)cc2n1[C@@H]1CN(Cc2ccccc2)C[C@@H]1C 2160077692 AFEWLSQQLHWQFP-PJSUUKDQSA-N 467.238 6.445 50 10 JKGE O=C(c1cc(Br)sc1Br)N1CCC[C@@]2(CBr)CCC[C@@H]12 2165286362 OVKKLVMZXVAOHW-QMTHXVAHSA-N 486.067 5.443 50 10 JKGE C[C@H](Cl)c1nc2cc(Cl)c(Br)cc2n1CC(C)(C)N(C)Cc1ccccc1 2169001447 AKPQXMMNLLYFJF-AWEZNQCLSA-N 469.254 6.663 50 10 JKGE Cc1cc(Br)c([C@H](Br)c2cc(Br)cc(C(F)(F)F)c2)s1 2172412646 PLKCMURHLLCVNQ-LLVKDONJSA-N 492.980 7.085 50 10 JKGE O=C(c1csc(Br)c1Br)N1C[C@@H](Br)C2(CCCCC2)C1 2174362981 FELYNCDQRSWIRS-SNVBAGLBSA-N 486.067 5.443 50 10 JKGE Brc1ccc(Br)c(CN2C[C@H](Br)C3(CCCCC3)C2)c1 2175142161 NNPFQIVKJNJWPB-HNNXBMFYSA-N 466.055 5.741 50 10 JKGE Cc1c(Br)sc([C@H](Br)c2cccc(OCCF)c2)c1Br 2189517543 KOQVYSIXIYFECL-GFCCVEGCSA-N 487.026 6.414 50 10 JKGE Cc1c(Br)ccc([C@@H](Br)[C@H]2C[C@H]3COC[C@H](C3)C2)c1Br 2206753660 SIBMEXLLKZLPBE-BUWBCJGYSA-N 467.039 6.019 50 10 JKGE Cc1sc([C@@H](Br)c2cc(Cl)c(Br)cc2F)cc1Br 2218969637 OFPWTINNGLPOKJ-LBPRGKRZSA-N 477.418 6.858 50 10 JKGE Clc1ccc([C@@H](Br)c2c(Br)cc(Cl)c(Cl)c2Cl)cc1 2224301547 BOPAPOKKVOWFQZ-LLVKDONJSA-N 463.811 7.547 50 10 JKGE C[C@@]1([C@H](Br)c2c(Br)cc(Cl)c(Cl)c2Cl)CCCOC1 2224309825 DDLUVKKCLUVDIG-CHWSQXEVSA-N 451.413 6.662 50 10 JKGE Fc1cc(Br)ccc1[C@@H](Cl)c1cc(Br)c(Br)cc1F 2225634424 ORQTVJYABXISPU-CYBMUJFWSA-N 475.352 6.581 50 10 JKGE Cc1cc(Br)c([C@H](Br)[C@@]23CC[C@@H](CO2)C3)c(C)c1Br 2227359423 IARJHNKOOKBWLO-ONERCXAPSA-N 453.012 5.834 50 10 JKGE COc1cc(Br)c([C@H](Cl)c2cc(Br)sc2Br)cc1C 2227733176 SSPVYAXAXALCAA-LBPRGKRZSA-N 489.454 6.681 50 10 JKGE Clc1cc(Br)c([C@H](Cl)c2cccc(Br)c2Cl)c(Cl)c1Cl 2232510577 HVXWHVBFZBMEIU-LLVKDONJSA-N 498.256 8.153 50 10 JKGE COc1cc(C)c(Br)cc1[C@@H](Cl)c1ccc(C)c(I)c1 2232833938 QCONYGNTOMIDPD-INIZCTEOSA-N 465.556 6.007 50 10 JKGE FC(F)[C@@H]1CCC[C@H]1[C@@H](Br)c1cc(Br)c(Br)s1 2249240255 VBDDYFFQRIOURZ-HCVRKRLWSA-N 452.984 6.391 50 10 JKGE COc1ccc([C@H](Cl)c2cccc(I)c2)cc1I 2257368050 FDJSJEIMPRYINV-CQSZACIVSA-N 484.502 5.233 50 10 JKGE Fc1cc(Cl)c([C@@H](Cl)c2cc(Br)c(Cl)s2)cc1Br 2258108469 AUHQWGWPCJYBHI-SNVBAGLBSA-N 453.385 7.047 50 10 JKGE CCc1ccc([C@@H](Br)c2c(F)cc(Br)c(F)c2Br)s1 2272741641 VJXKUIZCIASOPI-LLVKDONJSA-N 474.990 6.598 50 10 JKGE Fc1cc(Br)c(F)c(Br)c1[C@H](Br)[C@]12CCC[C@H]1CC2 2273331884 RDGKJDSXLRGMSS-GTNLGMRDSA-N 458.966 6.506 50 10 JKGE N#Cc1sccc1COc1c(Br)cc(Br)cc1CBr 2277467470 RAVZKVJAZWBXRB-UHFFFAOYSA-N 465.992 5.619 50 10 JKGE Fc1ccc([C@H](Br)Cc2cc(Br)cc(Br)c2)c(Cl)c1 2277954575 GCJCZYYSJINOSM-CYBMUJFWSA-N 471.389 6.683 50 10 JKGE COc1cc(Br)c(C)cc1[C@@H](Br)c1cccc(Cl)c1Br 2283189371 RKBDJKHWPSHMRA-AWEZNQCLSA-N 483.425 6.666 50 10 JKGE CC1CCC(CO[C@](C)(CI)c2ccccc2Br)CC1 2287570294 BZZXYGWUEKIIPY-MQBCKMQZSA-N 451.186 5.942 50 10 JKGE CCO[C@@H]1CC[C@H]([C@H](Br)c2c(F)cc(Br)c(F)c2Br)C1 2288346063 HOYCDOZFMSZRHM-SXMVTHIZSA-N 476.981 6.131 50 10 JKGE Cc1ccc(Cn2c(SCC(=O)NN=CC(Cl)=Cc3ccccc3)nc3ccccc32)cc1 2293582722 FMKHOTPQCWILIO-UHFFFAOYSA-N 475.017 5.867 50 10 JKGE N#CC(=Cc1ccc(OCC(=O)Nc2ccc(Cl)cc2)c(Cl)c1)c1ccc([N+](=O)[O-])cc1 2297368731 GDTBVWCVYVTCII-UHFFFAOYSA-N 468.296 5.983 50 10 JKGE Cc1ccc(NC(=O)C(C#N)=Cc2cc(C)n(-c3ccc(N4CCOCC4)c([N+](=O)[O-])c3)c2C)c(C)c1 2297462801 LAXBIVGMLMZOEB-UHFFFAOYSA-N 499.571 5.001 50 10 JKGE CC(F)(F)C1([C@H](Br)c2cc(Br)ccc2OCc2ccccc2)CC1 2299527765 LMQAJPAGEOAKOW-QGZVFWFLSA-N 460.156 6.900 50 10 JKGE O=C(N[C@H](CCBr)COCc1ccccc1)c1cc(Br)ccc1Cl 2303546003 ZZOCQEWQKYRNPH-OAHLLOKOSA-N 475.608 5.203 50 10 JKGE COC(=O)c1cccc(-n2c(C)cc(C=C(C#N)C(=O)Nc3cccc(Cl)c3Cl)c2C)c1C 2313571125 NVAOSAAYRIMKPD-UHFFFAOYSA-N 482.367 6.042 50 10 JKGE Cc1cccc(Cn2cc(C=C(C#N)C(=O)Nc3cccc(Cl)c3Cl)c3ccccc32)c1 2313571170 OZJRRBUTKZRTLY-UHFFFAOYSA-N 460.364 6.851 50 10 JKGE COc1ccc(-c2nn(-c3ccccc3)cc2C=C(C#N)c2nc(O)c3ccccc3n2)c(C)c1 2314433505 OLXCSPSELIMWJH-UHFFFAOYSA-N 459.509 5.569 50 10 JKGE Cc1ccc(C(C)C)c(Oc2nc3ccccn3c(=O)c2C=C(C#N)C(=O)NC2CCCCC2)c1 2314436849 PABBESQCRCKBBT-UHFFFAOYSA-N 470.573 5.275 50 10 JKGE FC[C@]12C[C@]([C@H](Br)c3cc(Br)ccc3OCc3ccccc3)(CO1)C2 2314443064 FLUYZLQCXSVDRM-VAMGGRTRSA-N 470.176 5.983 50 10 JKGE Cc1nn(C)c(Br)c1[C@H](Cl)c1ccc(OCc2ccccc2)cc1Br 2314447111 WTYWLATYXZGLCL-GOSISDBHSA-N 484.619 6.161 50 10 JKGE Clc1ccc([C@H](Cl)c2cc(Br)ccc2OCc2ccccc2)c(Cl)c1 2314447746 BKVYRNTYWIYFBS-FQEVSTJZSA-N 456.594 7.663 50 10 JKGE N#CC(=Cc1ccc(-c2ccccc2[N+](=O)[O-])o1)c1nc(O)c2cc(Br)ccc2n1 2314488973 QCAIFKSUHVUUFZ-UHFFFAOYSA-N 463.247 5.330 50 10 JKGE COc1cc(C=C(C#N)c2ccccc2OC)ccc1OC(=O)CC(c1ccccc1)c1ccccc1 2320506131 CFMIHELRXOXUFS-UHFFFAOYSA-N 489.571 6.896 50 10 JKGE COc1cc(C=C(C#N)c2ccccc2F)ccc1OC(=O)C(c1ccccc1)c1ccccc1 2320506434 JMUVCJZDOBDQSD-UHFFFAOYSA-N 463.508 6.636 50 10 JKGE Brc1cc(CC[C@@H](Br)c2cccnc2)ccc1I 2325209616 PRICLTOHLXFBCN-GFCCVEGCSA-N 480.969 5.518 50 10 JKGE N#CC(=C(O)CNC(=O)c1ccc(Cl)cc1)c1nc(-c2ccc(-c3ccccc3)cc2)cs1 2331231669 NJAMUGACCGCKDQ-UHFFFAOYSA-N 471.969 6.353 50 10 JKGE COc1ccc(CCN2C(=O)c3ccc(C(O)=C(C#N)c4nc(C(C)(C)C)cs4)cc3C2=O)cc1 2331306283 SGSSVUUAWMBZRW-UHFFFAOYSA-N 487.581 5.238 50 10 JKGE N#CC(=Cc1ccccc1OCc1ccc(Cl)cc1)c1nc(-c2ccccc2Cl)cs1 2331430779 YIAQUYMCMJWXSM-UHFFFAOYSA-N 463.389 7.760 50 10 JKGE CCCCCCC[C@@H](Br)c1c(Cl)cc(Br)c(F)c1Br 2337092616 STSKFOVJZCJPRZ-SECBINFHSA-N 479.453 7.801 50 10 JKGE CC1(C)CCCN(Cc2ccc(Cl)c(I)c2)[C@H]1CBr 2337219745 WBVVLWIFVTZIST-AWEZNQCLSA-N 456.593 5.330 50 10 JKGE CCCc1sc(Br)cc1[C@H](Br)c1cc(Cl)ccc1Br 2338024795 YKVZBFGLQARDQF-CQSZACIVSA-N 487.482 7.363 50 10 JKGE Cc1cc(Br)c(F)c(Br)c1[C@H](Br)c1cccc(Cl)c1 2339649432 VHSCKPITHSGFMB-GFCCVEGCSA-N 471.389 6.797 50 10 JKGE Cc1cc(Br)c(F)c(Br)c1[C@H](Br)CC[C@H]1CCOC1 2339652204 XBYYCUJPACDCMM-VHSXEESVSA-N 458.991 5.912 50 10 JKGE Brc1cc(CN2C[C@@H]3CCC[C@H](Br)[C@H]3C2)ccc1I 2349834250 JQQWSPXAKLLHPF-AVGNSLFASA-N 499.028 5.049 50 10 JKGE Clc1cccc([C@H](CBr)Cc2cc(I)ccc2Cl)c1 2352430598 WMDBOYFSBHYSLV-LBPRGKRZSA-N 469.975 6.319 50 10 JKGE Brc1ccc(OCc2ccccc2)c([C@@H](Br)[C@H]2CCCc3ccccc32)c1 2361178651 POPCYWBGHVTCRQ-URXFXBBRSA-N 486.247 7.584 50 10 JKGE O=[N+]([O-])c1ccc(Oc2cc(Br)cc(I)c2)c(CCl)c1 2364107401 RVEIQVPNGSJOLB-UHFFFAOYSA-N 468.472 5.493 50 10 JKGE COc1cc([C@@H](Br)c2sc(Cl)cc2I)cc(OC)c1C 2364121053 CFARQULRTLNZNT-CYBMUJFWSA-N 487.584 5.816 50 10 JKGE Cc1cc(Br)c(F)c(Br)c1[C@H](Br)[C@H]1C[C@H](C)O[C@H](C)C1 2365189012 QJZLLDPVDHJGSK-BSTOTGJRSA-N 473.018 6.299 50 10 JKGE COc1c(Br)cc(C)c([C@@H](Br)[C@]23CO[C@](C)(C2)C3)c1Br 2365217909 IOJUYJHAGGTVJY-RBSFLKMASA-N 469.011 5.534 50 10 JKGE Cc1cc(C)c([C@@H](Cl)c2ccc(Cl)cc2I)c(C)c1Br 2365593775 WFGYWWWUOHLLFD-INIZCTEOSA-N 484.002 6.961 50 10 JKGE CC(C)[C@@H](Br)C(C)(C)CN(C)Cc1ccc(Br)cc1Br 2365993314 ZBUXKJBBKSNXDZ-OAHLLOKOSA-N 470.087 6.089 50 10 JKGE C[C@@H]1C[C@H]2C[C@]([C@@H](Br)c3c(F)cc(Br)c(F)c3Br)(C2)O1 2368522021 XGVMSMOKEMXLIR-BVDAKZFTSA-N 474.965 5.883 50 10 JKGE Cc1scc([C@H](Br)c2cc(Br)c3c(c2)CCCO3)c1Br 2369589681 ZOSGZNNQUWUCQJ-CQSZACIVSA-N 481.047 6.391 50 10 JKGE Cc1nc(OCc2ccc(I)c(Br)c2)c(Cl)cc1CCl 2377641147 BSSRZPSSMMLZTK-UHFFFAOYSA-N 486.962 5.728 50 10 JKGE COc1ccccc1[C@H]1C(C#N)=C2N=C(N)c3ccccc3N2C2=C1C(=O)C[C@@H](c1ccccc1)C2 3654385 WDMRADXDALLKPM-PPHZAIPVSA-N 472.548 5.154 50 10 JKGE CC(=O)C1=C(C)NC(SCc2cccc(Br)c2)=C(C#N)[C@H]1c1ccccc1[N+](=O)[O-] 8742103 XNQAYQSPBZRHNH-OAQYLSRUSA-N 484.375 5.576 50 10 JKGE O=C(c1ccc(Oc2ccccc2)cc1)[C@H](Br)[C@H](Br)c1ccccc1 33353962 YPFAMAILJHNSEM-WOJBJXKFSA-N 460.165 6.561 50 10 JKGE COc1ccc(C(=O)Oc2ccc(/C=C(/C#N)C(=O)Nc3cc(Cl)cc(Cl)c3)cc2)cc1 33406753 USTDTNRMSCHQNQ-YVLHZVERSA-N 467.308 5.767 50 10 JKGE CC1(C)[C@]2(C)CC[C@@]1(C(=O)N1CCN(C(c3ccccc3)c3ccccc3)CC1)[C@@H]2Br 33514163 IQOOUHJPCORXCJ-MVNQZMKCSA-N 481.478 5.510 50 10 JKGE Cc1ccc(NC(=O)/C(C#N)=C\c2c(Oc3cc(C)cc(C)c3)nc3c(C)cccn3c2=O)cc1 33906487 ZBVDGTMFEDDFRA-QNGOZBTKSA-N 464.525 5.266 50 10 JKGE N#C/C(=C/c1ccc([N+](=O)[O-])c([N+](=O)[O-])c1)c1nc(-c2cccc(Br)c2)cs1 35330938 CEGACCOYLKPMFW-MLPAPPSSSA-N 457.265 5.453 50 10 JKGE CCCCCCN1C(=O)C(C#N)=C(C)/C(=C\c2ccc(OCc3ccc(F)cc3)c(OC)c2)C1=O 38604234 DGODVQAANOSPTN-HZHRSRAPSA-N 476.548 5.586 50 10 JKGE CCOc1ccccc1[C@H]1C(C#N)=C(N)Oc2cc(OC(=O)c3ccc(OCC(C)C)cc3)ccc21 38650521 ZLQGTVLPVKLUPS-HHHXNRCGSA-N 484.552 5.557 50 10 JKGE CCCOc1cccc(C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@H]3c2ccccc2Cl)c1 38651072 QLLYDRUBAGGSLD-DEOSSOPVSA-N 460.917 5.566 50 10 JKGE CCCCOc1ccccc1C(=O)Oc1ccc2c(c1)OC(N)=C(C#N)[C@@H]2c1ccc(CC)cc1 38677598 OMLOKRWSZLBSQE-HHHXNRCGSA-N 468.553 5.865 50 10 JKGE Cc1ccc(NC(=O)/C(C#N)=C\c2c(Oc3cccc(C)c3C)nc3c(C)cccn3c2=O)cc1C 39858813 IBWCHFZMDDMUMN-JCMHNJIXSA-N 478.552 5.575 50 10 JKGE Cc1ccc(-c2ccc(/C=C(\C#N)C(=O)Nc3cc(C(F)(F)F)cc(C(F)(F)F)c3)o2)cc1 39884890 GKVBOCUECMFQQW-OVCLIPMQSA-N 464.365 6.838 50 10 JKGE Cc1c(C(=O)Nc2ccccn2)oc2c1/C(=N/NC(=O)C(c1ccccc1)c1ccccc1)CCC2 40815585 VACQUWXSORHUBP-WEMUVCOSSA-N 478.552 5.224 50 10 JKGE C[C@H](Oc1ccc(C(C)(C)C)cc1)C(=O)N/N=C/c1cn(Cc2ccccc2)c2ccccc12 40961649 CRIFDWNZCRHGHW-SHEHFHRDSA-N 453.586 5.905 50 10 JKGE CCOc1ccc([C@@H](O)CCC(=O)N/N=C\c2cc(C)n(-c3cccc(Cl)c3)c2C)cc1 58893383 GTAFVEVJWVWALI-GJVLPJBHSA-N 453.970 5.110 50 10 JKGE COc1cc(/C=N/NC(=O)[C@H]2[C@@H]3CCCC[C@@]32C)ccc1OCc1ccc(Cl)cc1Cl 59426580 FCIIGKDETAEHNI-PMSVLPNJSA-N 461.389 5.857 50 10 JKGE Cc1ccc(NCCCC(=O)N/N=C/c2ccccc2OCc2cccc(Br)c2)cc1 59507937 VYIFVGRDLKUADY-OGLMXYFKSA-N 480.406 5.679 50 10 JKGE O=C(NN=C(/C=C/c1ccccc1)/C=C/c1ccccc1)c1ccccc1I 59513892 MMNVCWNPVBTWMJ-YTEMWHBBSA-N 478.333 5.804 50 10 JKGE COc1ccc(C(=O)Nc2ccccc2C(=O)N/N=C/c2ccc(Cl)cc2Cl)cc1OC 72231285 PMLBGFCBOGEIOJ-LGJNPRDNSA-N 472.328 5.027 50 10 JKGE CCCCCCOc1ccc([C@@H](C(=O)NC2CCCCC2)N(Cc2ccccc2)C(=O)CCl)cc1 97915143 IOLYURIVQXJAQC-NDEPHWFRSA-N 499.095 6.403 50 10 JKGE CCCCCCCOc1ccc(/C=C2/C(=O)N([C@@H](C)CC)C(=O)C(C#N)=C2C)cc1OCC 101334499 WRNPVMWIWMKSAL-QZMYASAMSA-N 452.595 5.825 50 10 JKGE CCCCCCCCCCCCCCCCNc1ncnc(NNC(=O)c2ccccc2OC)c1N 101531835 ULWKZZHUFGHQQR-UHFFFAOYSA-N 498.716 6.718 50 10 JKGE COc1ccc2c(c1)CCc1c-2noc1-c1ccc(C)c(NC(=O)c2cccc(C(Cl)Cl)c2)c1 102965380 KODSASWDMWYZFW-UHFFFAOYSA-N 493.390 7.153 50 10 JKGE CCn1c(/C(C#N)=C\c2ccc(OCc3ccc(Br)cc3)c(OC)c2)nc2ccccc21 103761733 VYNGQOAZYARLAT-ZHZULCJRSA-N 488.385 6.470 50 10 JKGE Cc1ccc(-c2ccc(/C(=C(\C#N)c3nc4ccccc4s3)N3NC(=O)CC3=N)o2)cc1Cl 104505021 FEURTQHATPAERP-FICLZNFRSA-N 473.945 5.624 50 10 JKGE FC(F)Oc1cccc([C@@H](Br)c2cc(Br)ccc2Br)c1 109844330 RUNXCXWHQGIFGK-CYBMUJFWSA-N 470.933 6.297 50 10 JKGE Cl[C@H](c1csc(I)c1)c1cc(Br)sc1Br 118883982 NZEIJGMRFXCYCY-MRVPVSSYSA-N 498.430 6.267 50 10 JKGE Fc1cc(Br)cc(F)c1[C@H](Cl)c1cc(Br)ccc1Br 122323746 QMXOJGZGYOSJPL-CYBMUJFWSA-N 475.352 6.581 50 10 JKGE Fc1ccc(Cl)c(CC(CBr)(CBr)c2cccc(Br)c2)c1 126234536 BPBZMJXYVHKYGX-UHFFFAOYSA-N 499.443 6.512 50 10 JKGE Clc1cc2c(cc1[C@@H](Cl)c1cc(Br)c(Br)s1)OCCCO2 128543500 UUYFMFRBGBCUIA-CYBMUJFWSA-N 473.013 6.416 50 10 JKGE Cc1cc([C@@H](Cl)c2cc(Br)c(Br)s2)ccc1Br 137916831 RJLFFBCEXJSTSE-LLVKDONJSA-N 459.428 6.672 50 10 JKGE O=S(=O)(c1c(Cl)cc(Br)cc1Cl)N1CCCCC[C@H]1CBr 157718992 QLLIHKUYPFGNLV-JTQLQIEISA-N 480.049 5.084 50 10 JKGE CCOc1ccc(Br)cc1[C@@H](Br)c1ccc(C)cc1Br 161439373 XNNXLPQSHVLDIC-INIZCTEOSA-N 463.007 6.403 50 10 JKGE COc1cc(Br)c([C@@H](Br)c2cc(C)ccc2Br)cc1OC 161759395 GGBJEOPOEXEABG-INIZCTEOSA-N 479.006 6.022 50 10 JKGE CCOc1cc(Cl)c([C@H](Br)c2cccc(Br)c2C)cc1Cl 164578541 GLQUQYVHTGMOKS-MRXNPFEDSA-N 453.001 6.947 50 10 JKGE Cc1cc(I)ccc1NC(=O)/C(C#N)=C\Nc1ccccc1C(F)(F)F 217253677 LHHKSRSWAYSCBT-BENRWUELSA-N 471.220 5.077 50 10 JKGE COCCOc1ccc([C@@H](Br)c2ccc(Br)s2)cc1Br 229016464 RHTOTKGXHNUIMJ-CQSZACIVSA-N 485.035 5.783 50 10 JKGE C[C@@H](Br)c1ccccc1NC(=O)c1ccc(Br)cc1Br 235062044 WCHAOJPGELCSFL-SECBINFHSA-N 461.979 5.920 50 10 JKGE Cc1ccc([C@H](Br)c2cc(I)ccc2Br)s1 235910752 PWUZWZKEZGGCKY-GFCCVEGCSA-N 471.983 5.908 50 10 JKGE FC(F)(F)COCOc1c(Br)cc(CBr)cc1Br 236123165 WTIUJDYHZMIHSN-UHFFFAOYSA-N 456.878 5.022 50 10 JKGE C[C@@H]1[C@@H](NC(=O)[C@H](c2ccc(F)cc2)N(Cc2ccccc2Cl)C(=O)CCl)CCC[C@H]1C 252585685 KIAOROMIOPECFI-KGSVPTONSA-N 479.423 5.729 50 10 JKGE CCOc1ccc(Br)cc1C=NNC(=O)[C@H](C)Oc1ccc(OCc2ccccc2)cc1 252632230 VRCSAQTUYOTSMI-SFHVURJKSA-N 497.389 5.344 50 10 JKGE Cc1cc(C)cc(-n2c(C)cc(C=NNC(=O)c3ccc(CN4CCc5ccccc5C4)cc3)c2C)c1 254391311 UGEJJUSXCVKYSQ-UHFFFAOYSA-N 490.651 6.033 50 10 JKGE O=C(CSc1nc2ccccc2n1Cc1ccccc1)NN=Cc1ccc(-c2ccccc2)cc1 254391664 PMIDKQXWVANVGB-UHFFFAOYSA-N 476.605 5.994 50 10 JKGE O=C(CSc1nc2ccccc2c(=O)n1-c1ccccc1)NN=Cc1ccc(-c2ccccc2)cc1 254423607 QLEHVSURMOWEII-UHFFFAOYSA-N 490.588 5.295 50 10 JKGE CC(C)(C)c1ccc(COc2ccc(Br)cc2-c2nc3ccc(C(=O)NN)cc3[nH]2)cc1 256046540 GLXFEEUHXGOYIS-UHFFFAOYSA-N 493.405 5.472 50 10 JKGE Clc1sc([C@@H](Br)c2ccccc2OCc2ccccc2)cc1Br 309943868 CGJHTVYXUMTCDR-KRWDZBQOSA-N 472.629 7.227 50 10 JKGE Clc1ccc(I)c(CNC2(CCBr)CCCCC2)c1 687282654 KDNVYMLEMZCBRV-UHFFFAOYSA-N 456.593 5.522 50 10 JKGE CC1(C)CO[C@@H](CC(CBr)(CBr)c2ccccc2Br)C1 708416002 VCYLOJMUKBFWMY-GFCCVEGCSA-N 469.055 5.682 50 10 JKGE O=C(CSc1nc2ccccc2[nH]1)NN=Cc1ccc(OCc2ccc(Cl)cc2)cc1 725389284 YRQRTBRYNHBETJ-UHFFFAOYSA-N 450.951 5.038 50 10 JKGE Cc1ccc(N2Cc3ccc(C(=O)NN=Cc4c5ccccc5cc5ccccc45)cc3C2)cc1 725410845 STSUMGQGHKJFLT-UHFFFAOYSA-N 455.561 6.586 50 10 JKGE COc1ccc(NC(=O)C(=O)NN=Cc2cc(C)n(-c3cc(Cl)cc(Cl)c3)c2C)cc1Cl 1084012336 RSURSVSUFPANRX-UHFFFAOYSA-N 493.778 5.152 50 10 JKGE O=C(CSCc1cccc(Cl)c1)NN=Cc1ccc(OCc2ccc3ccccc3c2)cc1 1084371114 FOELKMRDJTVMBB-UHFFFAOYSA-N 475.013 6.456 50 10 JKGE N#C/C(=C/c1ccccc1OCc1ccc(Br)cc1)C(=O)Nc1ccc(F)cc1 1084467960 HDABDGPFOLVFON-AQTBWJFISA-N 451.295 5.713 50 10 JKGE CCOC(=O)c1ccc(-c2ccc(C=NNC(=O)c3ccc(CSc4ccccc4)cc3)o2)cc1 1084494316 FEAGXADTEUDHFF-UHFFFAOYSA-N 484.577 6.180 50 10 JKGE N#CSc1ccc(NC(=O)Oc2ccc(CNC(=O)C(c3ccccc3)c3ccccc3)cc2)cc1 1858898098 GZUYWCXVKURISR-UHFFFAOYSA-N 493.588 6.319 50 10 JKGE CCCc1nn(-c2ccc(Cl)c(Cl)c2)c2c1[C@@H](c1cc(C)ccc1O)C(C#N)=C(N)O2 1865687420 QUJJIFWBBADBIC-FQEVSTJZSA-N 455.345 5.364 50 10 JKGE N#CC1=C(N)Oc2c(c(-c3ccccc3)nn2Cc2ccc(F)cc2)[C@H]1c1cc(Cl)ccc1O 1865689081 JJDNAMFCAPPQKP-QFIPXVFZSA-N 472.907 5.315 50 10 JKGE CCc1nn(Cc2c(F)cccc2Cl)c2c1[C@H](c1ccc(N(CC)CC)cc1)C(C#N)=C(N)O2 1865701286 RJVGHQDIKNVQPS-HSZRJFAPSA-N 479.987 5.351 50 10 JKGE CCCc1nn(-c2cccc3ccccc23)c2c1[C@H](c1ccc(C(F)(F)F)cc1)C(C#N)=C(N)O2 1865710916 LIXARBBJMPVYRF-HSZRJFAPSA-N 474.486 6.215 50 10 JKGE COc1cccc([C@H]2C(C#N)=C(N)Oc3c2c(-c2ccccc2)nn3Cc2ccccc2Cl)c1 1865712327 VRRAPZCSYFDTMA-QHCPKHFHSA-N 468.944 5.479 50 10 JKGE COc1ccc([C@@H](C(=O)N[C@@H](Cc2ccccc2)C(=O)Nc2ccc(SC#N)cc2)C(C)C)cc1 1866985360 CTFYOOWAJLDUNX-UIOOFZCWSA-N 487.625 5.374 50 10 JKGE CCCCc1ccc(-c2csc(/C(C#N)=C(\O)[C@@H]3CC(=O)N(c4c(C)cccc4CC)C3)n2)cc1 1872744958 QSVXNNOMJQWZTR-YHMQUTQNSA-N 485.653 6.869 50 10 JKGE CCc1cccc(CC)c1N1C[C@H](/C(O)=C(\C#N)c2nc(-c3cccc(Cl)c3)cs2)CC1=O 1872748175 LUHFKCWTQDVLJN-FPOCJBQTSA-N 478.017 6.434 50 10 JKGE COc1cc(/C=C(\C#N)c2nc(-c3c(C)cc(C)cc3C)cs2)ccc1OCc1ccccc1 1872794146 MESXPEDFGMNGON-ZVHZXABRSA-N 466.606 7.387 50 10 JKGE ClCC[C@H](COCc1ccccc1)NCc1cc(I)ccc1Cl 1905040315 KDRDYVFQOJQOBO-QGZVFWFLSA-N 464.174 5.249 50 10 JKGE O=C1c2ccccc2C(=O)N1C[C@@H](Br)CCc1cc(Cl)ccc1Br 1905342774 KYEFAZHABSKFCM-LBPRGKRZSA-N 471.576 5.095 50 10 JKGE CC(C)(C)[C@@H]1C[C@H]1[C@H](Br)c1c(Br)sc(Br)c1Cl 1910604633 DBYSLYAREWXRRQ-JKMUOGBPSA-N 465.476 7.045 50 10 JKGE COc1c(C)cc(Br)c(C)c1[C@@H](Br)c1c(C)nsc1Br 1912981428 DKCGDKYFWYZXLX-GFCCVEGCSA-N 484.051 6.086 50 10 JKGE CC(C)[C@@H](CBr)N(Cc1ccccc1)S(=O)(=O)c1cc(Cl)ccc1Cl 1915296645 WWWYODRMHMEVLI-QGZVFWFLSA-N 465.240 5.604 50 10 JKGE Cc1ccc(C)c(C[C@H](Br)c2sc(Br)c(C)c2Br)c1 1922899317 BKSYKBHGDIKEAC-LBPRGKRZSA-N 467.064 6.877 50 10 JKGE CCCOc1cccc([C@@H](Br)c2sc(Br)cc2Br)c1 1922955341 YMMLOZOBSLUFMO-CYBMUJFWSA-N 469.036 6.546 50 10 JKGE Clc1c(Br)sc(Br)c1[C@H](Br)C1[C@@H]2COC[C@@H]12 1923075218 YJOAEMRAHFLIRE-XAQAVTJOSA-N 451.405 5.255 50 10 JKGE Clc1ccc(Br)cc1CN(Cc1ccccc1)[C@H](CBr)C1CC1 1979519107 BWSTXGGOYSQODI-LJQANCHMSA-N 457.637 6.278 50 10 JKGE CCCCC[C@@H](CC)O[C@@](C)(CI)CN(CC)C(=O)OC(C)(C)C 2026329591 STPIZUIYQHHGAN-APWZRJJASA-N 455.421 5.813 50 10 JKGE Brc1cc([C@H](Br)[C@@]23CCCC[C@H]2CCC3)c(Br)s1 2031751529 FAJAGUMEMHJRJF-DUFXMDAXSA-N 457.069 7.070 50 10 JKGE Cc1c(Cl)cc(CC(CBr)(CBr)C2CC2)cc1Br 2048497037 LLSPBNVXNJYDLU-UHFFFAOYSA-N 459.447 6.140 50 10 JKGE Cc1cc(C(F)(F)F)ccc1-n1nc(CBr)c(Br)c1C(F)(F)F 2079233681 CBCVPTWMTRTEQI-UHFFFAOYSA-N 466.017 5.876 50 10 JKGE CCn1nc(C)c(Br)c1CC(CBr)(CBr)C1CCC1 2089705123 LQRRTWYPNFEJOV-UHFFFAOYSA-N 457.048 5.093 50 10 JKGE Fc1cccc(C[C@H](Br)c2cccc(Br)c2Br)c1F 2092336270 WAUBKYIZRKJUII-NSHDSACASA-N 454.934 6.169 50 10 JKGE FC1(F)CCN(Cc2c(Br)cccc2Br)C[C@H]1CBr 2094089619 YMCYCVCSMLEDQH-SECBINFHSA-N 461.970 5.064 50 10 JKGE Cc1csc([C@@H](Br)c2csc3c(Br)cccc23)c1Br 2100814245 FVSRBJJKMQIMDF-LBPRGKRZSA-N 481.072 7.281 50 10 JKGE CCCC(CBr)(CCC)CN=[S@](C)(=O)CCCCNC(=O)OC(C)(C)C 2110303722 MNAICXAXPVWALG-AREMUKBSSA-N 455.503 5.371 50 10 JKGE O=C(c1scc(Br)c1Br)N(CCBr)Cc1ccsc1 2114641404 URICHTSXFGGDDD-UHFFFAOYSA-N 488.064 5.372 50 10 JKGE C[C@H]1Cc2cc(Br)cc([C@@H](Br)c3cc(Br)cs3)c2O1 2115939129 AMQWPIMCSBMXNY-WPPNPWJKSA-N 467.020 6.081 50 10 JKGE C[C@](CBr)(Cc1cc(Br)ccc1Br)C1CCCCC1 2118532346 OLVQJPAYDZKUCS-MRXNPFEDSA-N 453.056 6.736 50 10 JKGE CC1(C)OCCC[C@]1(CBr)Cc1cc(Cl)ccc1I 2130452080 LQUKMQDJRUJUMY-OAHLLOKOSA-N 457.577 5.457 50 10 JKGE Cc1cc(F)c(Cl)cc1[C@H](Br)c1c(Br)cccc1Br 2137050798 GFLSPCUTSZQWOF-AWEZNQCLSA-N 471.389 6.797 50 10 JKGE COc1ccc([C@@H](Cl)c2csc(Br)c2Br)c(Cl)c1Cl 2138627808 MIXYLINFADWQCT-SECBINFHSA-N 465.421 6.917 50 10 JKGE Cc1c(Br)ccc([C@@H](Cl)c2cccc(Br)c2Cl)c1Br 2138866665 VBGZCMFHKQDALK-CYBMUJFWSA-N 487.844 7.264 50 10 JKGE Cc1nn(-c2ccc(CBr)c(C(F)(F)F)c2)c(C)c1I 2150312510 SXAKEVBQUOOLQS-UHFFFAOYSA-N 459.047 5.007 50 10 JKGE CCn1ncc(Br)c1[C@H](Br)c1cc(Cl)c(Cl)c(Cl)c1Cl 2150665384 QIXUTUKZSXAIBE-MRVPVSSYSA-N 481.830 6.763 50 10 JKGE BrCc1cc(Br)cc(Br)c1OC[C@]12CCC[C@@H]1CCO2 2152940797 DWEYCEVMOVMKFW-IAQYHMDHSA-N 469.011 5.445 50 10 JKGE FC(F)(F)c1cc([C@H](Cl)c2sc(Cl)cc2Br)ccc1Br 2154477537 GIRDXLPJVMMPSW-JTQLQIEISA-N 468.947 7.274 50 10 JKGE O=C(NC[C@]1(F)CC[C@@H](CBr)CC1)c1csc(Br)c1Br 2178579244 JHYZRYOYKKDNNZ-KTLJEJPDSA-N 492.046 5.296 50 10 JKGE Cc1cc(C)c(S(=O)(=O)N(Cc2ccccc2)[C@H](C)C(C)(C)C)cc1CBr 2179857777 DXMULVWABURLAM-GOSISDBHSA-N 452.458 5.824 50 10 JKGE Cc1cc(Br)c([C@H](Br)[C@@H]2OC[C@H]3CCC[C@H]32)cc1Br 2224922370 CZVOZFLEESIISK-ZMRCNFHJSA-N 453.012 5.771 50 10 JKGE C[C@@H](c1ccccc1)[C@@H](Br)c1cc(Br)c(Br)cc1F 2225615044 BYHTUXBCSDPMEG-BJOHPYRUSA-N 450.971 6.590 50 10 JKGE CCC12COC([C@H](Br)c3cc(Br)c(Br)cc3F)(C1)C2 2225617015 LHXZVGQTHCWFLO-IYXRBSQSSA-N 456.975 5.746 50 10 JKGE Cc1cc(Br)c([C@H](Cl)c2sc(C)c(C)c2Br)c(C)c1Cl 2237632833 CXGFHIOSYYZZSO-AWEZNQCLSA-N 457.058 7.488 50 10 JKGE CC[C@H](C)NCc1cc(Br)cc(Br)c1OC[C@@H]1C[C@H]1Br 2240244682 OFTUCPRYPLZXNB-XHVZSJERSA-N 470.043 5.262 50 10 JKGE COC1([C@H](Br)c2cc(Br)sc2Br)CC(CF)C1 2247517709 IZBHLIPUWDKMDJ-HKMPYMFOSA-N 450.993 5.474 50 10 JKGE Cc1sc([C@H](Br)c2cccc(Cl)c2Br)cc1Br 2248098504 RSLAKSSFXOKSCH-GFCCVEGCSA-N 459.428 6.719 50 10 JKGE CCc1cc([C@H](Cl)c2ccc(Cl)c(I)c2)sc1Br 2256337953 UPJXYYWWDMWJTF-GFCCVEGCSA-N 476.004 6.659 50 10 JKGE Fc1cc(Br)c(F)c(Br)c1[C@H](Cl)c1cocc1Br 2260001498 MYCAGQBKKSZQLX-SNVBAGLBSA-N 465.313 6.174 50 10 JKGE COc1ccc([C@@H](Br)c2ccc(F)cc2Br)cc1I 2269543370 MJXRPWNRJLUSRC-CQSZACIVSA-N 499.943 5.686 50 10 JKGE COc1ccc([C@@H](Br)c2cc(Br)ccc2F)cc1I 2269556883 RRPVSTFHPWGGIN-CQSZACIVSA-N 499.943 5.686 50 10 JKGE Cc1cc(F)c(Br)cc1[C@H](Br)c1ccc(F)c(Br)c1 2270426732 OKENCQJGYBVZQA-CQSZACIVSA-N 454.934 6.283 50 10 JKGE COc1ccc([C@H](Br)[C@@H]2[C@@H]3CCCC(F)(F)[C@H]32)cc1I 2285004889 UWIGWGUUGUNVNV-VKKKGTNTSA-N 457.096 5.417 50 10 JKGE Cc1cc(F)c(Br)cc1[C@@H](Br)c1cc(Br)c(Cl)cc1C 2285984523 VIXAOAQEBZBFJC-HNNXBMFYSA-N 485.416 7.105 50 10 JKGE CCCCCCCOc1ccc(C=C(C#N)C(=O)Nc2ncc(Cc3ccccc3)s2)cc1 2293038887 DWLOPCCLASTVAD-UHFFFAOYSA-N 459.615 6.629 50 10 JKGE N#CC(=Cc1cc(Cl)ccc1OCc1ccc(C(=O)O)cc1)C(=O)Nc1ccc(Cl)cc1 2293429951 AIZDVHXELMNKGL-UHFFFAOYSA-N 467.308 5.816 50 10 JKGE COc1c([C@@H](Br)C2(Br)CCC2)cc(Br)c2ccccc12 2294630600 WIEOFUCIKHKQPE-OAHLLOKOSA-N 463.007 6.365 50 10 JKGE COc1c(Br)cc(Cl)c(C)c1[C@H](Br)c1c(Br)cnn1C 2295363218 STUGSOVBPMICBB-NSHDSACASA-N 487.417 5.400 50 10 JKGE Fc1ccc(Cl)c(F)c1[C@@H](Br)c1cc2sc(Br)cc2s1 2295498307 QILMANAYNQVYRA-LBPRGKRZSA-N 458.574 7.141 50 10 JKGE C[C@@H](NC(=O)C(C#N)=Cc1ccc(COc2c(Cl)cc(Cl)cc2Cl)o1)c1ccccc1 2295672413 VURFATIDJMHISS-CQSZACIVSA-N 475.759 6.603 50 10 JKGE CCCCOC(=O)c1ccc(NC(=O)C(C#N)=Cc2ccc(-c3ccc(Cl)cc3Cl)o2)cc1 2296818115 LQYAHIOVPPUACJ-UHFFFAOYSA-N 483.351 6.756 50 10 JKGE Cc1ccc(C[C@H]2SC(=C(C#N)C(=O)Nc3cc(C)ccc3C)N(c3ccccc3)C2=O)cc1 2296834461 QOHBFJHXUYYQRG-RUZDIDTESA-N 467.594 5.677 50 10 JKGE COc1ccc(-n2c(SCC(=O)NN=CC(C)=Cc3ccco3)nnc2-c2ccc(C)cc2)cc1 2297457974 HPUOOKABQQMPMU-UHFFFAOYSA-N 487.585 5.142 50 10 JKGE N#CC(=Cc1ccc(-c2ccc(Cl)cc2[N+](=O)[O-])o1)C(=O)Nc1cc([N+](=O)[O-])ccc1F 2297551330 AXUGJLJAKXSFEE-UHFFFAOYSA-N 456.773 5.101 50 10 JKGE Cc1cc(C=NNC(=O)Cc2cccc3ccccc23)c(C)n1-c1ccc(Cl)c(C(=O)O)c1 2297722654 CBUMPGJWHUHPDI-UHFFFAOYSA-N 459.933 5.292 50 10 JKGE CO[C@@H]1C[C@@]2([C@H](Br)c3cc(Br)ccc3OCc3ccccc3)C[C@@H]12 2299532171 DEKIADHRYNGTCP-NBYUQASBSA-N 452.186 5.889 50 10 JKGE N#CC(=Cc1ccc(-c2ccc(C34CC5CC(CC(C5)C3)C4)cc2[N+](=O)[O-])o1)c1nc2ccccc2[nH]1 2313549063 MHDUFXNTXVAKMI-UHFFFAOYSA-N 490.563 7.263 50 10 JKGE COc1cc(C=C(C#N)C(=O)Nc2ccc(C)cc2)ccc1OCc1ccc(Cl)cc1Cl 2313567430 HGUFIWAJJKKFLL-UHFFFAOYSA-N 467.352 6.435 50 10 JKGE CCOc1cc(C=C(C#N)C(=O)Nc2ccc(CC)cc2)ccc1OCc1ccc(Cl)cc1 2313683455 GEXACFQZKQGAHV-UHFFFAOYSA-N 460.961 6.426 50 10 JKGE Fc1cc(Cl)c(Br)c(Cl)c1[C@H](Br)c1ccc(Br)o1 2313819303 OPWFKGPCJLDQJV-SNVBAGLBSA-N 481.768 6.735 50 10 JKGE Brc1cc(OCc2ccccc2)ccc1[C@@H](Br)CC1CC2(CCC2)C1 2314458339 DMFCMMHIQIFRBH-FQEVSTJZSA-N 464.241 7.435 50 10 JKGE N#CC(=Cc1ccc(-c2ccc(Cl)cc2Cl)o1)C(=O)Nc1cc(Cl)ccc1Cl 2314571578 HXDHLRGWJRQJCQ-UHFFFAOYSA-N 452.124 7.106 50 10 JKGE CCc1ccc(N2C(=O)[C@@H](Cc3ccc(C)cc3)SC2=C(C#N)C(=O)Nc2ccccc2)cc1 2314593226 JXKUAHGFKLZZGN-RUZDIDTESA-N 467.594 5.622 50 10 JKGE CCCCOc1cccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)C=Cc4ccccc4)ccc32)c1 2314634766 HTGVWBAZYQRCGM-NDEPHWFRSA-N 466.537 5.702 50 10 JKGE Cc1coc([C@H](Br)c2c(Cl)cc(Br)c(F)c2Br)c1 2315440343 RMANMOPCMAPRKL-JTQLQIEISA-N 461.350 6.390 50 10 JKGE COc1ccc(C=NNC(=O)c2ccc3[nH]c4c(c3c2)CCCC4)cc1OCc1ccc(Cl)cc1 2321672259 VOQKFGRDTJLIEB-UHFFFAOYSA-N 487.987 6.052 50 10 JKGE CCCCCCCCCOc1ccc(C=NNC(=O)c2cc3ccccc3n2C)cc1Cl 2323733082 XQFYLICVFGXOSC-UHFFFAOYSA-N 454.014 6.725 50 10 JKGE CCc1cccc(C)c1NC(=O)C(C#N)=CNc1ccc(-c2nc3ccc(C)cc3s2)cc1 2325168673 XFKFYCKEGPQPBV-UHFFFAOYSA-N 452.583 6.601 50 10 JKGE CN(C(=O)OC(C)(C)C)C1CCC2(CCCN2CC(C)(C)CI)CC1 2326670949 ZJTNASLJXLDLRQ-UHFFFAOYSA-N 464.432 5.092 50 10 JKGE CCCOc1ccc(-c2csc(C(C#N)=C(O)COc3cc(C)c(Cl)c(C)c3)n2)cc1 2331318246 MVNDGEZKYJRURJ-UHFFFAOYSA-N 454.979 6.741 50 10 JKGE CCCCCCCOc1ccc(-c2csc(C(C#N)=C(O)c3ccccc3Cl)n2)cc1 2331344924 ZENBPGNXOLWNRY-UHFFFAOYSA-N 453.007 7.763 50 10 JKGE COc1cc(OC)c(-c2csc(C(C#N)=C(O)[C@@H]3CC(=O)N(Cc4ccccc4)C3)n2)cc1Cl 2331378758 ZUHJEZXZFXNWQN-MRXNPFEDSA-N 495.988 5.322 50 10 JKGE COc1cc(C)c(-c2csc(C(C#N)=C(O)c3ccccc3I)n2)cc1C 2331403776 IXPNPPGPTOEQHV-UHFFFAOYSA-N 488.350 5.990 50 10 JKGE COc1ccc(Cl)cc1-c1csc(C(C#N)=C(O)CNC(=O)c2ccc(Cl)cc2)n1 2331410905 PHPSCMYYOFLBFT-UHFFFAOYSA-N 460.342 5.348 50 10 JKGE CCOc1cc(C=C(C#N)c2nc(-c3ccc(F)c(C)c3)cs2)ccc1OCc1ccccc1C 2331449142 QHNIHWYBIDXJNK-UHFFFAOYSA-N 484.596 7.608 50 10 JKGE COc1cc(OC)c(OC)cc1C=C(C#N)c1nc(-c2cc(C(C)C)c(OC)cc2C)cs1 2331464167 GMVHPIXZZFJBFQ-UHFFFAOYSA-N 464.587 6.341 50 10 JKGE COc1cc(OC)c(-c2csc(C(C#N)=Cc3cccc(OCc4ccccc4)c3)n2)cc1Cl 2331472333 KHPQHBNGKAHRMV-UHFFFAOYSA-N 488.996 7.124 50 10 JKGE CCOc1cc(C=C(C#N)c2nc(-c3ccc(C)c(C)c3)cs2)cc(Br)c1O 2331472813 XDXXDDMIFFWRKE-UHFFFAOYSA-N 455.377 6.358 50 10 JKGE COc1cc(C=C(C#N)c2nc(-c3cc(C(C)(C)C)ccc3C)cs2)cc(Br)c1O 2331478456 LNZSGSPSDGUCPF-UHFFFAOYSA-N 483.431 6.957 50 10 JKGE CCc1nn(C)c([C@@H](Cl)c2ccc(OCc3ccccc3)cc2Br)c1Cl 2336049111 ZVIDJABFGDUBJI-SFHVURJKSA-N 454.195 6.306 50 10 JKGE CCC[C@H]1CC[C@H]([C@H](Br)c2cc(Br)ccc2OCc2ccccc2)CC1 2336075844 SGIYODFOWXOYCJ-LTMIRXACSA-N 480.284 8.071 50 10 JKGE C[C@@H]1CCC[C@@H]([C@H](Br)c2c(Cl)cc(Br)c(F)c2Br)O1 2337087676 BPWMKIDFRRUIRR-PUMQYWBSSA-N 479.409 6.398 50 10 JKGE Clc1ccc(CN2CCC[C@@H](CCCBr)C2)cc1I 2337217674 AADPDNFHBDIIJE-GFCCVEGCSA-N 456.593 5.332 50 10 JKGE Clc1cc(I)c([C@@H](Br)Cc2ccc3c(c2)CCO3)s1 2338777489 CHZOLVVJARQDRC-JTQLQIEISA-N 469.569 5.620 50 10 JKGE Cc1c(F)ccc(COC2(CI)CCN(C(=O)OC(C)(C)C)CC2)c1Cl 2339294814 CWOWIRHKNHHUOG-UHFFFAOYSA-N 497.776 5.509 50 10 JKGE Clc1ccc([C@@H](Cl)CCc2ccc(I)c(Br)c2)cc1 2349834031 GKNBRCVLXVJADM-AWEZNQCLSA-N 469.975 6.620 50 10 JKGE CC1(C)CCCN(Cc2cc(I)ccc2Cl)[C@H]1CBr 2352413663 KJDRGTZOIUTNIL-AWEZNQCLSA-N 456.593 5.330 50 10 JKGE COc1ccc([C@@H](Br)c2cc(F)c(F)cc2F)cc1I 2361241393 DJCJZYWZCBLHOE-CQSZACIVSA-N 457.027 5.201 50 10 JKGE Cc1cccc([C@@H](Br)c2c(Cl)cc(Br)c(F)c2Br)c1C 2362230911 SYXYKTNBMLJNOS-CYBMUJFWSA-N 485.416 7.105 50 10 JKGE Cc1cc(Br)c(F)c(Br)c1[C@H](Br)[C@@H]1CCCC2(CC2)C1 2365179125 NFLQTHDLLYUENV-ZWNOBZJWSA-N 469.030 7.066 50 10 JKGE COc1ccc(CBr)cc1OCc1ccc(Cl)cc1I 2366707615 SOELPMXPSSLXOS-UHFFFAOYSA-N 467.528 5.427 50 10 JKGE FC1(F)CC[C@@]2(C1)[C@@H](OCc1cccc(I)c1)C[C@H]2Br 2367339371 GHUZUTBTIIBKDE-RDBSUJKOSA-N 457.096 5.149 50 10 JKGE C[C@H]1CC2CC(COc3c(Br)cc(Br)cc3CBr)(C2)O1 2368313888 ADRWZWIDBNJQCT-YLTRJXTNSA-N 469.011 5.443 50 10 JKGE O=C(c1cc(Br)sc1Br)N1C[C@@H]2C[C@@H](CBr)C[C@@H](C2)C1 2369327474 WMVWWDHMHMGRRY-OWUUHHOZSA-N 486.067 5.156 50 10 JKGE CCOC(=O)c1ccc(-c2ccc(/C=C(\C#N)C(=O)Nc3ccc(Oc4ccccc4)cc3)o2)cc1 652818 KPIJSRIIKDIQIG-RELWKKBWSA-N 478.504 6.461 50 10 JKGE COc1cc(/C=C(/C#N)c2ccc(Cl)cc2)ccc1OC(=O)c1ccc(Cl)c(Cl)c1 31902134 WRCCFPKVOABKMT-YVLHZVERSA-N 458.728 6.939 50 10 JKGE Cc1cccc(NC(=O)/C(C#N)=C\c2ccc(-c3ccc([N+](=O)[O-])cc3Br)o2)c1 33319804 CNPNUZIVRANBHC-UVTDQMKNSA-N 452.264 5.471 50 10 JKGE CCCCOc1ccc(/C=C(/C#N)C(=O)Nc2sc3c(c2C(=O)OCC)CC[C@@H](C)C3)cc1 34901911 GBJSTKAZYMIGOB-JFPYRBRCSA-N 466.603 5.774 50 10 JKGE C[C@@H](NC(=O)/C(C#N)=C\c1cn(-c2ccccc2)nc1-c1cccc2ccccc12)c1ccccc1 35519297 YILBQLFYDDILNF-UTDQILSNSA-N 468.560 6.477 50 10 JKGE CC(C)c1ccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)COc4ccc(F)cc4)ccc32)cc1 38649406 WXIFGZQTYDIBDI-SANMLTNESA-N 458.489 5.152 50 10 JKGE Cc1cccn2c(=O)c(/C=C(/C#N)C(=O)Nc3ccc(Cl)cc3)c(Oc3ccccc3F)nc12 39858728 VLCUIZRYPQYNDG-SSZFMOIBSA-N 474.879 5.133 50 10 JKGE Cc1cc(C)cc(NC(=O)c2oc3c(c2C)/C(=N/NC(=O)Cc2coc4cc(C)cc(C)c24)CCC3)c1 40826870 FSDNBVATYUTMDN-AWSUPERCSA-N 497.595 6.220 50 10 JKGE CCOC(=O)c1c(-c2ccc(C)cc2C)csc1NC(=O)/C(C#N)=C/c1ccc(OC)cc1 40977721 JGZDUWVOGPFPQS-CPNJWEJPSA-N 460.555 5.763 50 10 JKGE Cc1ccc2c(c1)/C(=N/NC(=O)CSc1c(Cl)c(Cl)c(Cl)c(Cl)c1Cl)C(=O)N2 59166933 YDRYZQBENGLOPL-UHFFFAOYSA-N 497.618 5.827 50 10 JKGE CCCOc1ccc([C@@H](C(=O)NC2CCCCCC2)N(Cc2ccco2)C(=O)CCl)cc1OC 97914976 DRDRFBBRJPVZTM-VWLOTQADSA-N 491.028 5.225 50 10 JKGE CCCCCCCOc1ccc(C(=O)NC(=S)NNC(=O)COc2ccc([C@H](C)CC)cc2)cc1 100154537 QEHWWOGTGZSTTC-HXUWFJFHSA-N 499.677 5.264 50 10 JKGE CCc1ccc(N2C(=O)[C@@H](Cc3ccc(C)c(C)c3)S/C2=C(/C#N)C(=O)Nc2cccc(C)c2)cc1 101245416 UYCHCSHCIBTICC-VOEFLUBFSA-N 495.648 6.239 50 10 JKGE N#C/C(=C/Nc1ccccc1C(F)(F)F)c1nc(-c2cccc(Br)c2)cs1 102902139 VHQZSNOUWGKPLY-RAXLEYEMSA-N 450.283 6.568 50 10 JKGE Cc1ccccc1/C=C(/C#N)C(=O)Nc1ncc(Cc2cc(C(F)(F)F)ccc2Cl)s1 102973969 BTUPBDBECYOYHT-PXNMLYILSA-N 461.896 6.260 50 10 JKGE CCOc1ccccc1N/C(SCc1ccc(C)cc1C)=C(\C#N)C(=O)NCc1ccccc1 105423166 MXITWQFKPQWWGS-COOPMVRXSA-N 471.626 6.099 50 10 JKGE CCCCCCCCC[C@H](Br)c1cc(Br)ccc1Br 115065249 GSJIPGJNSIYMIH-HNNXBMFYSA-N 455.072 7.788 50 10 JKGE Fc1ccc(Br)c(C[C@H](CBr)c2ccccc2Br)c1 118665079 ZIIFCNHNCVTFAM-LLVKDONJSA-N 450.971 6.072 50 10 JKGE Brc1ccc([C@H](Br)c2cc(Br)c(Br)s2)o1 128283016 GMBFFWGGUUTJMT-QMMMGPOBSA-N 479.813 6.113 50 10 JKGE COc1ccc(CC[C@H](Br)c2cc(Br)c(C)cc2Br)cc1 128795170 GNROYSOQQXLLHU-HNNXBMFYSA-N 477.034 6.597 50 10 JKGE Clc1ccsc1[C@@H](Br)c1cc(Br)sc1Br 163090545 QRZQEDDAMPCYOD-ZETCQYMHSA-N 451.430 6.472 50 10 JKGE Cc1ccc(/C=C\C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@@H]3c2ccc(C(C)(C)C)cc2)cc1 205640939 UQZZAKZUJKRDIY-DVJUNSDPSA-N 464.565 6.130 50 10 JKGE N#C/C(=C/c1ccccc1OCC(=O)Nc1nccs1)c1nc(-c2cccc([N+](=O)[O-])c2)cs1 214020137 XIKFXHSXMRXUGJ-YVLHZVERSA-N 489.538 5.256 50 10 JKGE N#C/C(=C/NCCc1ccc(Br)cc1)C(=O)Nc1ccc(Cl)c(C(F)(F)F)c1 217250802 ZRDLXTCRZNMGSZ-QBFSEMIESA-N 472.692 5.300 50 10 JKGE Clc1sc([C@H](Cl)c2ccc3cc(Br)ccc3c2)cc1Br 227843158 SUQKPMKTVVZMHV-CQSZACIVSA-N 451.010 7.408 50 10 JKGE CCCc1ccc([C@@H](Br)c2cc(Br)ccc2I)cc1 233379759 DCHGWHFXDQEFCJ-MRXNPFEDSA-N 494.008 6.491 50 10 JKGE COc1ccc([C@@H](Br)c2cc(Cl)ccc2I)c(C)c1 234974151 PGRSVVSEZVFUCE-OAHLLOKOSA-N 451.529 5.746 50 10 JKGE CC(=NNC(=O)c1cc(-c2cc(C)ccc2C)nc2ccccc12)c1ccc(NS(C)(=O)=O)cc1 254839978 SEJDIIPQKHAMSW-UHFFFAOYSA-N 486.597 5.044 50 10 JKGE O=C(COc1cccc2cccnc12)NN=Cc1cn(Cc2ccc3ccccc3c2)c2ccccc12 254903412 GWUDYXQAMRVSLA-UHFFFAOYSA-N 484.559 5.920 50 10 JKGE O=C(Cc1cccc2ccccc12)NN=Cc1ccc(C=NNC(=O)Cc2cccc3ccccc23)cc1 263631511 RMLAXWASBMDUEA-UHFFFAOYSA-N 498.586 5.379 50 10 JKGE Cc1cc(Br)c([C@@H](Br)c2cc(C)c(Br)s2)cc1Cl 310765364 LIBHEZOUEHYETB-GFCCVEGCSA-N 473.455 7.028 50 10 JKGE COc1cc(Cl)c([C@@H](Br)c2sccc2I)cc1OC 311779409 XCCMQXGTLJBYFL-GFCCVEGCSA-N 473.557 5.508 50 10 JKGE FC1(F)CCCC[C@H]1[C@H](Br)c1cc(I)cc2c1OCC2 328091753 URJSKISORUPUNZ-QWHCGFSZSA-N 457.096 5.488 50 10 JKGE BrC[C@H](Cc1cccc(Br)c1)Cc1ccsc1Br 388881192 IJMBXRZNSXZPGT-LLVKDONJSA-N 453.037 6.069 50 10 JKGE Clc1cc([C@@H](Br)c2ccc(Br)o2)c(Cl)c(Cl)c1Cl 405028032 TUXZYEIQWXQWPV-MRVPVSSYSA-N 453.772 7.140 50 10 JKGE CN(C(=O)OC(C)(C)C)c1cccc([C@@H]2CCCCN(CCO[Si](C)(C)C(C)(C)C)C2)c1 616605032 KIZUBOIIZZVCRU-JOCHJYFZSA-N 462.751 6.649 50 10 JKGE CC(C)(C)OC(=O)NCCN1CCCC[C@@H]1c1ccccc1CCO[Si](C)(C)C(C)(C)C 616623130 BZMHRFALJZTRML-HSZRJFAPSA-N 462.751 6.303 50 10 JKGE C[C@@H]1[C@@H](Br)C[C@H]2CC[C@H]1N2C(=O)c1cc(Br)c(Br)s1 686193201 MJBBPSDOKOIMLI-BDNRQGISSA-N 472.040 5.050 50 10 JKGE Cl[C@@H](c1sccc1Br)c1scc(Br)c1Br 705408497 IMPIIIDCMJPCGZ-ZETCQYMHSA-N 451.430 6.425 50 10 JKGE Fc1cc(COc2cc(Br)ccc2CBr)ccc1Br 721999838 OHCCFYYIPKETTR-UHFFFAOYSA-N 452.943 5.825 50 10 JKGE Cc1sc([C@H](Br)c2cccc(F)c2Br)c(C)c1Br 724928432 MXESXYRHYYVCBY-GFCCVEGCSA-N 457.000 6.513 50 10 JKGE CC(=NNC(=O)CCSc1ccccc1)c1ccc2c(c1)[C@@H]1C=CC[C@@H]1[C@H](c1ccccc1)N2 1083915688 SSWJTWUATRGTDH-AHPZMPFVSA-N 467.638 6.536 50 10 JKGE CCN(CC)c1ccc(C=NNC(=O)c2ccc(CN3CCC(Cc4ccccc4)CC3)cc2)cc1 1084408153 LBFOCAUKPDSIKE-UHFFFAOYSA-N 482.672 5.751 50 10 JKGE CCOc1cc(C=NNC(=O)Cc2ccc(Cl)cc2)ccc1OCc1cccc2ccccc12 1084540288 KUUHBAAOPRVRPW-UHFFFAOYSA-N 472.972 6.164 50 10 JKGE O=C(OCc1ccccc1)N1C[C@H](c2cc(C(F)(F)F)cc(C(F)(F)F)c2)[C@@H](CCl)C1 1614613683 FYEUYEROESPXHA-MAUKXSAKSA-N 465.821 6.315 50 10 JKGE COc1ccc(C(=O)NN=C2CCCc3oc(C(=O)Nc4cccc(Cl)c4Cl)c(C)c32)cc1 1772745594 FWDSUVHWUVYASW-UHFFFAOYSA-N 486.355 5.626 50 10 JKGE COc1ccc(C(=O)NN=C2CCCc3oc(C(=O)Oc4cccc5ccc(C)nc45)c(C)c32)cc1 1772745697 IHURDAWTPKXWET-UHFFFAOYSA-N 483.524 5.143 50 10 JKGE COc1ccccc1C(=O)NN=C1CCCc2oc(C(=O)Nc3ccc(Cl)cc3Cl)c(C)c21 1772745938 LPMDKCOLFJJWBC-UHFFFAOYSA-N 486.355 5.626 50 10 JKGE Cc1cc(Cl)ccc1NC(=O)c1oc2c(c1C)C(=NNC(=O)Cc1ccc([N+](=O)[O-])cc1)CCC2 1772747598 RBMXHBPBHBEHIV-UHFFFAOYSA-N 494.935 5.110 50 10 JKGE CCc1nn(-c2ccc(Cl)cc2)c2c1[C@@H](c1c(OC)ccc3ccccc13)C(C#N)=C(N)O2 1865688192 MWLJKWHOJSKCSW-HSZRJFAPSA-N 456.933 5.468 50 10 JKGE CCCc1nn(CC(C)C)c2c1[C@@H](c1ccc(OCc3ccc(Cl)cc3)cc1)C(C#N)=C(N)O2 1865695396 OCURJGUFFHWRNJ-DEOSSOPVSA-N 477.008 5.942 50 10 JKGE CCCCCCOc1ccc([C@@H]2C(C#N)=C(N)Oc3c2c(C)nn3-c2ccc(OC)cc2)cc1OC 1865697288 ZFENBIQTWBTHMK-AREMUKBSSA-N 488.588 5.375 50 10 JKGE Cc1cccc([C@@H]2C(C#N)=C(N)Oc3c2c(C(F)(F)F)nn3-c2ccc(Br)cc2)c1 1865711271 UQSJBJKXWFOVEY-MRXNPFEDSA-N 475.268 5.180 50 10 JKGE CCc1ccc(OCCCC(=O)NNC(=O)c2ccc(-c3ccc(Cl)c(Cl)c3)nc2C)cc1 1865759405 YSOHGXMUGDSNEI-UHFFFAOYSA-N 486.399 5.546 50 10 JKGE Cc1ccc(-c2nc3cc(C(=O)NC(C)(C)C(=O)Nc4ccc(SC#N)cc4)ccc3o2)cc1 1866881603 MHNYELYYPNKODH-UHFFFAOYSA-N 470.554 5.524 50 10 JKGE CC(C)CN1C(=O)c2ccc(/C(O)=C(\C#N)c3nc(-c4ccc(F)c(F)c4)cs3)cc2C1=O 1872751460 IUAUAAILCPEEJC-FXBPSFAMSA-N 465.481 5.290 50 10 JKGE COc1cc(C)c(-c2csc(/C(C#N)=C(\O)CCN3C(=O)c4ccccc4C3=O)n2)cc1C(C)C 1872753662 ICWANIULERSUPL-LNVKXUELSA-N 487.581 5.730 50 10 JKGE COc1ccc(-c2csc(/C(C#N)=C/c3ccc(OCc4ccccc4)cc3)n2)c2ccccc12 1872794879 BFHBMOLKXSNMGQ-HAVVHWLPSA-N 474.585 7.615 50 10 JKGE CC(C)(C)OC(=O)NCCCCCC(=O)N/N=C/c1c(OCc2ccccc2)ccc2ccccc12 1873795577 ROITWGDSBRDBTJ-AJBULDERSA-N 489.616 5.954 50 10 JKGE CC(C)[C@H](CCl)N(Cc1ccccc1)Cc1cc(I)ccc1Cl 1905031984 IQVUATLVCHVZBB-IBGZPJMESA-N 462.202 6.210 50 10 JKGE Cc1c(Br)sc([C@H](Br)C2C3CC4CC(C3)CC2C4)c1Br 1922882741 NDKVFESLOKUGTC-SUVMXPCQSA-N 483.107 7.090 50 10 JKGE Clc1c(Br)sc(Br)c1[C@H](Br)[C@@]12COC[C@H]1C2 1923039760 QTMGZOLBGHMLSS-GXEGGYKASA-N 451.405 5.399 50 10 JKGE Cc1cc([C@@H](Br)c2c(Cl)sc(Cl)c2Cl)sc1Br 1925569477 UMSOPXXTUVDTRB-ZCFIWIBFSA-N 455.451 7.325 50 10 JKGE CC[C@@H](Br)CN(Cc1ccccc1)C(=O)c1ncc(Br)cc1Cl 1983535900 MUPHHCSJIKGIHX-CYBMUJFWSA-N 460.597 5.313 50 10 JKGE CC(C)(C)OC(=O)N1C[C@@H](Br)[C@H](OCc2cc(Cl)ccc2Br)C1 1993166061 ODEJMHWAEHXAQH-ZIAGYGMSSA-N 469.601 5.002 50 10 JKGE FC(F)C(F)(F)C[C@@H](Br)c1c(Br)sc(Br)c1Cl 2001805634 IDSUWLQFAVEQDE-UWTATZPHSA-N 483.344 6.653 50 10 JKGE C[C@@H]1C[C@H]([C@@H](Cl)c2c(Br)sc(Br)c2Br)CCO1 2011643856 HYBDQECKQZLFDS-HCVRKRLWSA-N 467.448 6.131 50 10 JKGE Cc1sc(Br)c([C@H](Cl)c2scc(Br)c2Br)c1C 2024025268 GFUXOEYRDPWYAX-VIFPVBQESA-N 479.484 7.042 50 10 JKGE Cc1c(Br)ccc([C@@H](Cl)c2csnc2Br)c1Br 2024290603 SXVSLDZEUXXBLE-SNVBAGLBSA-N 460.416 6.067 50 10 JKGE COc1sc([C@H](Cl)c2ccc(I)c(Cl)c2)cc1Br 2034629510 NTMNKIBDFDCIDK-LLVKDONJSA-N 477.976 6.105 50 10 JKGE Fc1cc(Cl)c(Br)cc1[C@H](Br)c1ccccc1Br 2036573063 VAFBXLUZLRDFRR-CYBMUJFWSA-N 457.362 6.488 50 10 JKGE C[C@H]1[C@H](Br)C[C@H]2CC[C@H]1N2Cc1ccc(Br)cc1Br 2092260465 HRBPAEUSEXZJEU-XRFFLINXSA-N 452.028 5.348 50 10 JKGE O=C(NCc1ccc(CBr)cc1)c1csc(Br)c1Br 2093945205 XHOYNUMMYQSPBQ-UHFFFAOYSA-N 468.008 5.098 50 10 JKGE C[C@@H]1CC[C@H](C(C)(C)c2c(Br)cccc2Br)[C@H](Br)C1 2094132956 BEDCHCIGEVWLBI-UHIISALHSA-N 453.056 6.689 50 10 JKGE CC(C)(C)C[C@@H](CBr)CNC(=O)c1cc(Br)c(Br)s1 2100107124 NEUJXAGNMGCMNE-QMMMGPOBSA-N 476.072 5.450 50 10 JKGE ClCc1nc2cc(I)ccc2n1[C@H]1CCCCN(Cc2ccccc2)C1 2102355516 GZULGUUGSCKFNW-SFHVURJKSA-N 479.793 5.607 50 10 JKGE C[C@H](Cl)c1nc2cc(Br)c(Cl)cc2n1[C@H](C)CN(C)Cc1ccccc1 2103808871 APOCLUZFPNUKMS-KGLIPLIRSA-N 455.227 6.445 50 10 JKGE C[C@H]1[C@@H](n2c(CCl)nc3cc(Cl)c(Br)cc32)CCN1Cc1ccccc1 2112701689 NBADHQRSFNPFTP-UGSOOPFHSA-N 453.211 6.027 50 10 JKGE C[C@@H](c1ccncc1Br)[C@H](Br)c1cc(I)ccc1F 2113349774 XHNUCDYXZOBREU-RTHLEPHNSA-N 498.959 5.828 50 10 JKGE Fc1c(C[C@@H](Br)c2ccccc2Br)ccc(Br)c1Cl 2113444471 MKAWJTIQDHYHLB-GFCCVEGCSA-N 471.389 6.683 50 10 JKGE Cc1cc(F)c(Cl)cc1[C@@H](Br)c1cc(Br)cc(Br)c1 2137071614 SEQZDNZVFAAVIQ-AWEZNQCLSA-N 471.389 6.797 50 10 JKGE COc1ccc([C@H](Cl)c2ccc(Br)cc2I)c(C)c1 2142288949 WJYDDTZQZKVOTP-HNNXBMFYSA-N 451.529 5.699 50 10 JKGE ClCc1nc2cc(I)ccc2n1[C@H]1C[C@@H]2C[C@H](C1)CN2Cc1ccccc1 2144553628 YRQUZHIPNXWIQK-NZSAHSFTSA-N 491.804 5.605 50 10 JKGE CCc1nn(-c2ccc(F)c(Cl)c2CBr)c(CC)c1I 2150310010 BABLEYOYSSJATM-UHFFFAOYSA-N 471.539 5.289 50 10 JKGE ClCc1ccc(Br)c(Cl)c1N1CC[C@@H]2CCN(Cc3ccccc3)C[C@H]2C1 2154374934 AYDKCHUBRWVHQG-HKUYNNGSSA-N 468.266 6.190 50 10 JKGE Clc1cc(Cl)c(OCc2cccc(Br)c2Cl)c(CBr)c1 2166822475 BCFSEIMBVCUMKB-UHFFFAOYSA-N 459.392 6.883 50 10 JKGE COc1ccc(Br)cc1CC[C@H](Br)c1ccc(Br)cc1 2169798133 AIPMTIGRQYKQTE-HNNXBMFYSA-N 463.007 6.289 50 10 JKGE F[C@@]12CCC[C@@]1(CBr)CN(Cc1ccc(Br)cc1Br)C2 2176636631 PSDDQXLSNJYQOG-HUUCEWRRSA-N 470.018 5.301 50 10 JKGE COc1cc(F)c(F)cc1[C@H](Br)c1c(Br)cccc1Br 2204481665 QGYBDWWSASRDKO-AWEZNQCLSA-N 470.933 5.983 50 10 JKGE CC(C)(C)[C@@H]1CC[C@@H](Br)[C@@H](Cc2ccc(I)c(Cl)c2)C1 2208044425 MPHMOMHVSJQIMO-BFHYXJOUSA-N 469.632 6.713 50 10 JKGE Clc1cc(Br)c([C@H](Br)c2ccoc2Br)c(Cl)c1Cl 2217618448 PFVBUBQSBWPIES-MRVPVSSYSA-N 498.223 7.249 50 10 JKGE Fc1cc(Br)c(Br)cc1[C@@H](Br)[C@H]1CC12CCCCC2 2225615252 FHLCTOPWBSDLPQ-QMTHXVAHSA-N 455.003 6.757 50 10 JKGE COC1CC(CC[C@H](Br)c2cc(Br)c(Br)cc2F)C1 2225616894 JQOZNIQNIBIRBO-AMUVOQDHSA-N 458.991 5.992 50 10 JKGE C[C@H](Cl)c1nc2cc(Br)c(Br)cc2n1C[C@H](C)N(C)Cc1ccccc1 2225685965 IRZKZZDIGWCKHK-KBPBESRZSA-N 499.678 6.382 50 10 JKGE Fc1cc(Br)c(Br)cc1[C@@H](Cl)Cc1cc(Cl)cc(Cl)c1 2240910026 PWFRFEJRUPVSPU-ZDUSSCGKSA-N 461.383 7.180 50 10 JKGE CC(C)(CBr)N(Cc1ccccc1)C(=O)c1c(F)cccc1I 2243441144 DDYSGZPFEGWQCQ-UHFFFAOYSA-N 490.154 5.246 50 10 JKGE Cn1ncc(Br)c1[C@@H](Br)c1cc2sc(Br)cc2s1 2263559460 KQJHQOGXMJAQBL-JTQLQIEISA-N 471.037 5.706 50 10 JKGE Clc1ccc([C@@H](Br)c2csc3ccccc23)cc1I 2268283708 HXVCOEZPKBGCPW-OAHLLOKOSA-N 463.565 6.644 50 10 JKGE C[C@]12CO[C@]([C@H](Br)c3c(F)cc(Br)c(F)c3Br)(C1)C2 2272721307 GMVHYGSHAUPTOY-UPJWGTAASA-N 460.938 5.495 50 10 JKGE Cc1c(Br)ccc([C@H](Br)[C@@H]2CC(F)(F)C23CCC3)c1Br 2280859722 UZKGDNDCCZUDEU-GWCFXTLKSA-N 472.993 6.782 50 10 JKGE Cc1cc(Cl)c(Cl)cc1[C@@H](Cl)c1ccc(Br)c(C)c1Br 2286516012 RLKUDCDMLZFGPY-HNNXBMFYSA-N 457.420 7.463 50 10 JKGE CC1(C)CCC(C)(C)[C@H](Br)[C@H]1Cc1cccc(Br)c1Br 2290309216 WSBWPDVGWQFPPV-IUODEOHRSA-N 467.083 6.980 50 10 JKGE COc1ccc(C=CC(=O)Oc2cccc(C=NNC(=O)CNc3cccc4ccccc34)c2)cc1 2294728534 YYPARWHQKFTRGN-UHFFFAOYSA-N 479.536 5.029 50 10 JKGE Cc1cc(F)c(Br)cc1[C@@H](Cl)Cc1cc(Br)cc(Br)c1 2295336209 SSPFKQSJOAIZMW-AWEZNQCLSA-N 485.416 6.944 50 10 JKGE COc1cccc(C[C@@H]2SC(=C(C#N)C(=O)Nc3ccc(C)cc3)N(c3ccc(C)cc3)C2=O)c1 2296507195 XYHFKKGQIDSLSC-VWLOTQADSA-N 483.593 5.377 50 10 JKGE N#CC(=Cc1ccc(-c2ccc([N+](=O)[O-])cc2Br)o1)C(=O)Nc1nc2ccccc2s1 2297500384 QMEHRRDDPOYOFK-UHFFFAOYSA-N 495.314 5.773 50 10 JKGE Cn1cc([C@@H](Cl)c2cc(Br)ccc2OCc2ccccc2)c(Br)n1 2299488106 DDDDPZPMOIYGHL-KRWDZBQOSA-N 470.592 5.852 50 10 JKGE Cc1cc([C@@H](Br)c2cc(Br)ccc2OCc2ccccc2)oc1C 2299492257 CALQXXGFDRJELS-FQEVSTJZSA-N 450.170 6.722 50 10 JKGE Brc1cc(OCc2ccccc2)ccc1[C@@H](Br)C[C@@H]1C[C@H]1C1CC1 2299534458 DIYSUUPTYUGRMX-VDGAXYAQSA-N 450.214 6.900 50 10 JKGE CC(C)(C)[C@@H]1CC[C@H]1[C@H](Br)c1ccc(OCc2ccccc2)cc1Br 2320103353 LSLAQTGFSKBQQY-QFUCXCTJSA-N 466.257 7.536 50 10 JKGE O=C(c1scc(Br)c1Br)N1CC[C@H]2C[C@@H](Br)CC[C@H]21 2328609792 PRCBKNXDZBEIDA-OYNCUSHFSA-N 472.040 5.051 50 10 JKGE COc1cc(C=CC(O)=C(C#N)c2nc(-c3ccc(C)cc3C)cs2)cc(Br)c1OC 2331310720 AVBXWDMUHVBSPV-UHFFFAOYSA-N 497.414 6.713 50 10 JKGE N#CC(=C(O)CCc1ccc(Cl)cc1)c1nc(-c2ccc(Oc3ccccc3)cc2)cs1 2331360289 SRYGAIRKSLQRFD-UHFFFAOYSA-N 458.970 7.681 50 10 JKGE COc1c(C)cc(C)cc1-c1csc(C(C#N)=C(O)c2ccccc2I)n1 2331376179 LRYRAOKSWZZODZ-UHFFFAOYSA-N 488.350 5.990 50 10 JKGE Cc1ccc(C(C)(C)C)cc1-c1csc(C(C#N)=C(O)CNC(=O)c2ccc(C(C)(C)C)cc2)n1 2331396393 UJVIXVCUEROJJB-UHFFFAOYSA-N 487.669 6.936 50 10 JKGE CCOc1c(C=C(C#N)c2nc(-c3cc(OC)c(Cl)cc3OC)cs2)cccc1OC 2331471173 SUGXKXHCMNXUAL-UHFFFAOYSA-N 456.951 5.952 50 10 JKGE Fc1c(Br)cc(Cl)c([C@H](Br)[C@H]2C[C@]23CCOC3)c1Br 2337084467 LSEWFSHYHKPRJF-RMCLDHHASA-N 477.393 5.867 50 10 JKGE Cn1cnc(Br)c1[C@@H](Cl)c1c(F)cc(Br)c(F)c1Br 2337317602 QMGSKFYBWYXRLH-QMMMGPOBSA-N 479.344 5.314 50 10 JKGE Cc1cc(F)c(Cl)cc1[C@H](Br)c1c(Br)c(Br)nn1C 2338720021 NGISVUHXYILRSF-VIFPVBQESA-N 475.381 5.530 50 10 JKGE Cc1cc(Cl)c([C@@H](Br)c2c(Br)c(Br)nn2C)cc1Cl 2338861099 PFXWEWHCRALOIN-SECBINFHSA-N 491.836 6.045 50 10 JKGE COc1c(Br)cc(C)c([C@H](Br)c2ccc(C)o2)c1Br 2339652456 ZPUJFKRXHTWLJG-GFCCVEGCSA-N 452.968 5.914 50 10 JKGE COc1c(Br)cc(C)c([C@H](Br)[C@@H]2[C@@H](C)C2(F)F)c1Br 2339656082 KHMYBTOWGUTJBL-UASFKTIASA-N 462.954 5.866 50 10 JKGE C[C@@H]1CCCN(Cc2ccc(Cl)cc2I)[C@@H]1CCBr 2341044262 SGLFSVUUBRVSSZ-IAQYHMDHSA-N 456.593 5.330 50 10 JKGE Fc1cccc([C@@H](Cl)CCc2ccc(I)c(Br)c2)c1 2349832460 CWTUVMPKDVRQIC-AWEZNQCLSA-N 453.520 6.106 50 10 JKGE ClC[C@H](Cc1ccc(I)c(Br)c1)c1ccc(Cl)cc1 2349843099 RVDICMKRJLGQKC-LBPRGKRZSA-N 469.975 6.272 50 10 JKGE ClCc1cc(Br)ccc1OCc1cc(I)ccc1Cl 2352421538 UZVWDNKKTNFMTF-UHFFFAOYSA-N 471.947 6.025 50 10 JKGE CCc1cc(Br)c(OC)c([C@H](Cl)c2csc(I)c2)c1 2353029344 LSNGASOXGJRBGI-CYBMUJFWSA-N 471.585 6.014 50 10 JKGE Cc1cc(Br)c(CCl)c(Oc2cc(Cl)c(C)cc2I)c1 2361711585 VXHQJRBXXASUDB-UHFFFAOYSA-N 485.974 6.855 50 10 JKGE Fc1c(Br)cc(Cl)c([C@H](Br)[C@H]2C[C@]23CCCOC3)c1Br 2362249328 XHSAOGQUBKOGDG-NRBYFXAUSA-N 491.420 6.257 50 10 JKGE COc1c(F)c(F)cc([C@H](Cl)c2sc(Cl)cc2I)c1F 2363885097 KSZQJGIHRCYFPR-QMMMGPOBSA-N 453.050 5.760 50 10 JKGE Cc1cc(Cl)ccc1[C@H](Br)c1c(C)cc(Br)c(F)c1Br 2365215547 LFFBDYIQGGPUGP-ZDUSSCGKSA-N 485.416 7.105 50 10 JKGE Clc1cccc([C@@H](CBr)OCc2ccc(Cl)cc2I)c1 2365644199 ANHAJPDFDLRMFL-OAHLLOKOSA-N 485.974 6.251 50 10 JKGE COc1ccc(/C=N/NC(=O)c2ccc(Cl)c(Cl)c2)cc1CN1CCCc2ccccc21 3584952 ADAATDKQPWMIKM-RWPZCVJISA-N 468.384 5.719 50 10 JKGE CCCCCCOc1ccc(Br)cc1C(=O)NNC(=O)c1ccc(Cl)cc1 14648269 BVKANFLZAOQBKK-UHFFFAOYSA-N 453.764 5.136 50 10 JKGE C/C(=N\NC(=O)Cc1ccc(Br)c2ccccc12)c1ccc2c3c(cccc13)CC2 20072898 SOCHAHOFAGRJOW-LQKURTRISA-N 457.371 5.937 50 10 JKGE COc1cc(/C=C(/C#N)c2nc3cc(C)ccc3[nH]2)ccc1OC(=O)c1cc(F)c(F)cc1Cl 33247212 KQTAVPOXBGRIOJ-NVNXTCNLSA-N 479.870 6.095 50 10 JKGE COc1ccc(NC(=O)/C(C#N)=C2/S[C@@H](Cc3ccc(Cl)cc3)C(=O)N2c2ccccc2)cc1 34258942 KXHNNCGBUBEXGJ-GPSDDGMOSA-N 489.984 5.414 50 10 JKGE N#C/C(=C\c1ccccc1OCC(=O)Nc1nccs1)C(=O)Nc1cc(Cl)cc(Cl)c1 35519737 RXAPAKQAHJSWGQ-VGOFMYFVSA-N 473.341 5.013 50 10 JKGE COc1ccccc1[C@@H]1C(C#N)=C(N)Oc2cc(OC(=O)COc3ccc(Cl)cc3Cl)ccc21 38649981 XGHWEVFWDAAVNH-DEOSSOPVSA-N 497.334 5.205 50 10 JKGE Cc1ccc(OCC(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@H]3c2cccc3ccccc23)cc1C 38657875 YRVPTIADXWUJLW-LJAQVGFWSA-N 476.532 5.659 50 10 JKGE C=CCOc1ccc(C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@H]3c2ccc(OCC=C)cc2)cc1 38658153 ZKCGSOWCEWTPCJ-MHZLTWQESA-N 480.520 5.254 50 10 JKGE CC(C)(C)c1ccc(C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@H]3c2c(Cl)cccc2Cl)cc1 38679484 XXEROOXRYRXZOA-QHCPKHFHSA-N 493.390 6.728 50 10 JKGE CCCOc1ccccc1[C@@H]1C(C#N)=C(N)Oc2cc(OC(=O)Cc3ccc(Cl)cc3)ccc21 38681859 XEFKVAGKGVVURI-SANMLTNESA-N 474.944 5.495 50 10 JKGE CCOC(=O)c1ccc(NC(=O)/C(C#N)=C/c2ccc(-c3c(Cl)cccc3Cl)o2)cc1 39884900 LGVKJFIKKAKVHQ-NTCAYCPXSA-N 455.297 5.976 50 10 JKGE Cc1c(C(=O)Oc2ccc(Cl)cc2Cl)oc2c1/C(=N/NC(=O)c1ccc(O)cc1)CCC2 40812110 OLZOLRJDPHAAJB-YZSQISJMSA-N 473.312 5.290 50 10 JKGE Cc1c(C(=O)Nc2ccc(Cl)cn2)oc2c1/C(=N/NC(=O)c1ccc(Cl)cc1Cl)CCC2 40813719 YGOKDKHSXLADJN-LQKURTRISA-N 491.762 5.666 50 10 JKGE CCc1ccc(OC(=O)c2oc3c(c2C)/C(=N/NC(=O)Cc2coc4cc(C)cc(C)c24)CCC3)cc1 40827039 AOHQZFCWHIKIEP-UQRQXUALSA-N 498.579 6.132 50 10 JKGE COc1cc(/C=C(\C#N)C(=O)Nc2cccc(C)c2C)ccc1OCc1ccc(Br)cc1 59202135 MAZZNXBXAUDPLA-FYJGNVAPSA-N 491.385 6.199 50 10 JKGE COc1cc(/C=C(/C#N)C(=O)Nc2ccccc2Cl)cc(Br)c1OCc1ccccc1 59483544 VQAGSRRAUZBXGY-WQRHYEAKSA-N 497.776 6.236 50 10 JKGE CS(=O)(=O)c1cccc([C@@H](Br)c2cc(Cl)c(Br)cc2F)c1 97895765 WPJFDURMMSIVEL-CQSZACIVSA-N 456.558 5.129 50 10 JKGE CC(C)c1ccc(N2C(=O)[C@@H](Cc3ccccc3)S/C2=C(/C#N)C(=O)NCc2ccco2)cc1 101242126 AFRBVRJMVJEFCV-NLTRVXJZSA-N 471.582 5.146 50 10 JKGE Cc1ccc(N2C(=O)[C@H](Cc3ccc(C(C)C)cc3)S/C2=C(/C#N)C(=O)Nc2ccccc2)cc1C 101244806 HNBOANADCLOAEZ-DBJYNHDPSA-N 495.648 6.492 50 10 JKGE CCCCCCCC(=O)N/N=C1\C(=O)N(CCc2ccccc2)c2ccc(Br)cc21 104999216 UNHFTVRANJTUQF-VYIQYICTSA-N 470.411 5.219 50 10 JKGE FC(F)(F)c1cc([C@H](Br)c2ccc(Br)s2)ccc1Br 124617302 YYQSXILTTYTOEI-NSHDSACASA-N 478.953 6.776 50 10 JKGE Fc1cc2c(cc1Br)nc(CCl)n2-c1ccc(Cl)cc1Br 125814055 DNLHRTSCEWEYTA-UHFFFAOYSA-N 452.936 6.082 50 10 JKGE CC[C@H](C)[C@@H](c1ccccc1)[C@H](Br)c1cc(Br)c(Br)s1 128291754 VDHCSWNQRBONNU-NZVBXONLSA-N 481.091 7.539 50 10 JKGE Cc1nn(C)c(Cl)c1CC(CBr)(CBr)c1cccc(Cl)c1 167850458 MTMGMSKCXGOOCW-UHFFFAOYSA-N 455.021 5.306 50 10 JKGE CCCOc1ccc(/C=N\NC(=O)c2nc(-c3ccccc3)sc2C)cc1Br 169927235 IUBSGUDEEQUXGF-QRVIBDJDSA-N 458.381 5.434 50 10 JKGE CCCOc1ccccc1/C=C(/C#N)C(=O)Nc1sc2c(c1C(=O)OCC)CC[C@@H](C)C2 206982061 ITSBGQCSIWEZIV-VVZNPABPSA-N 452.576 5.384 50 10 JKGE CCCOc1cccc(-c2nn(-c3ccccc3)cc2/C=C2\C(=O)N(CCC)C(=O)C(C#N)=C2C)c1 214219623 BPQAGBQRPAMCCI-UQQQWYQISA-N 480.568 5.330 50 10 JKGE C[C@@H](N/C=C(/C#N)C(=O)Nc1ccc(Cl)c(C(F)(F)F)c1)C12CC3CC(CC(C3)C1)C2 217249300 APXCCANXYYUANP-LSXFSIBFSA-N 451.920 5.899 50 10 JKGE Fc1cc(Cl)c([C@H](Br)c2ccc(I)c(Cl)c2)cc1F 231306041 HGMVRCDDZFCHOG-CYBMUJFWSA-N 477.901 6.361 50 10 JKGE COc1cc2c(cc1NC(=O)CC(C)=NNC(=O)Cc1cccc3ccccc13)oc1ccccc12 252626894 RHWIAIJUVDWYAZ-UHFFFAOYSA-N 479.536 5.811 50 10 JKGE CCOc1ccc(C=NNC(=O)Cc2csc(Nc3cccc(C(F)(F)F)c3)n2)cc1OCC 252633882 WICRSKRUNOJTHD-UHFFFAOYSA-N 492.523 5.396 50 10 JKGE O=C(Nc1ccc(I)c(Br)c1)c1ccc(CBr)cc1 302295085 ATCHHLGKUUIYJU-UHFFFAOYSA-N 494.952 5.201 50 10 JKGE Brc1cc2c(cc1[C@@H](Br)c1ccccc1OCc1ccccc1)CCO2 308429146 CEUWUMTWXRPBKX-QFIPXVFZSA-N 474.192 6.447 50 10 JKGE Cc1cc(Br)c([C@H](Br)c2cc(F)c(Br)cc2F)cc1Cl 312503380 YGHSOPGKCFHHDM-AWEZNQCLSA-N 489.379 6.936 50 10 JKGE BrC[C@H]1CN(Cc2ccccc2)C[C@H]1c1cc(Br)cc(Br)c1 382740677 ZHAOOWCOOKMGKI-YJBOKZPZSA-N 488.061 5.822 50 10 JKGE Fc1cc2nc(CCl)n(CC3CCN(Cc4ccccc4)CC3)c2cc1Br 397541955 BKCBQXADVWLQKP-UHFFFAOYSA-N 450.783 5.589 50 10 JKGE CC(C)(C)OC(=O)NCCN1CCOCC[C@H]1c1ccc(CCO[Si](C)(C)C(C)(C)C)cc1 616597023 DYFZPHWBYDHSEX-QHCPKHFHSA-N 478.750 5.539 50 10 JKGE CC(C)(C)[Si](C)(C)OCCc1ccc([C@H]2CCN(S(=O)(=O)c3ccccc3)CCO2)cc1 616665523 ZCTRLWRHFMXMCQ-XMMPIXPASA-N 475.727 5.403 50 10 JKGE Clc1cc([C@H](Br)c2cc(Br)c3c(c2)CCCO3)c(Cl)s1 689541459 KJCQFPSLJULDTN-GFCCVEGCSA-N 457.014 6.627 50 10 JKGE Cc1cc(Br)c([C@H](Cl)Cc2ccc(Br)cc2F)cc1Br 692792837 ORPPFJLDQSZHKF-CQSZACIVSA-N 485.416 6.944 50 10 JKGE Brc1csc([C@H](Br)c2ccc3c(c2)OCCCO3)c1Br 705464213 MPRXPSLWRXONSO-GFCCVEGCSA-N 483.019 5.919 50 10 JKGE Clc1cc(Br)c(OCc2ccc(Br)cc2)c(CBr)c1 708089286 LAXXHLZODLSGLI-UHFFFAOYSA-N 469.398 6.339 50 10 JKGE N#C/C(=C/c1ccc(OC(=O)c2cccc3ccccc23)cc1)C(=O)Nc1cc([N+](=O)[O-])ccc1Cl 1084328553 WRGVAVQFAQQBTA-RGEXLXHISA-N 497.894 6.166 50 10 JKGE CCOc1ccc(C(=O)NN=Cc2cc(Cl)c(OCc3ccc(Cl)cc3)c(OC)c2)cc1 1084500339 SSFDIYIEVOXTLL-UHFFFAOYSA-N 473.356 5.744 50 10 JKGE Cc1ccc(NC(=O)CCC(=O)NN=C(/C=C\c2ccccc2)/C=C/c2ccccc2)c(C)c1 1084510220 BFSYPDBUCUUYSL-UAYBDWGPSA-N 451.570 5.921 50 10 JKGE Cc1nn(-c2ccccc2)c(N=P(c2ccccc2)(c2ccccc2)c2ccccc2)c1[N+](=O)[O-] 1088661222 FDLGTIBEXNBWQR-UHFFFAOYSA-N 478.492 5.898 50 10 JKGE Cn1cc(C=NNC(=O)COc2ccc(C(C)(C)CC(C)(C)C)cc2[N+](=O)[O-])c2ccccc21 1565517626 VVTPEHUKWUUCDR-UHFFFAOYSA-N 464.566 5.329 50 10 JKGE Clc1ccc(N=P(c2ccccc2)(c2ccccc2)c2ccccc2)cc1CBr 1615948992 JLVLAMLWDINOCY-UHFFFAOYSA-N 480.773 7.044 50 10 JKGE CCOC(=O)c1ccc(NC(=O)c2oc3c(c2C)C(=NNC(=O)c2ccc(Cl)cc2)CCC3)cc1 1772743604 GGIVBZGLGBCLAQ-UHFFFAOYSA-N 493.947 5.141 50 10 JKGE N#CSc1ccc(NC(=O)Oc2cccc3c(NC(=O)c4ccc5cc[nH]c5c4)cccc23)cc1 1858779266 FCVJNVMOGUVCKO-UHFFFAOYSA-N 478.533 6.757 50 10 JKGE Cc1ccc(-n2nc(C(F)(F)F)c3c2OC(N)=C(C#N)[C@@H]3c2ccc(C(C)(C)C)cc2)cc1 1865682332 MDSFCIUURSZFND-IBGZPJMESA-N 452.480 5.715 50 10 JKGE CCOc1cccc([C@H]2C(C#N)=C(N)Oc3c2c(-c2ccc(OC)cc2)nn3-c2ccc(C)cc2)c1 1865690325 OPBGPTDYMWDPMH-VWLOTQADSA-N 478.552 5.473 50 10 JKGE CCCCOc1ccc([C@H]2C(C#N)=C(N)Oc3c2c(CC)nn3Cc2ccc(F)cc2)cc1OC 1865697123 NMEJPWVMQLZRTD-DEOSSOPVSA-N 476.552 5.039 50 10 JKGE COc1ccc(-c2nn(Cc3ccc(C)cc3)c3c2[C@@H](c2ccc(F)cc2F)C(C#N)=C(N)O3)cc1 1865701922 IFPNFILKKUORJV-DEOSSOPVSA-N 484.506 5.412 50 10 JKGE Cc1ccccc1COc1ccc([C@H]2C(C#N)=C(N)Oc3c2c(C)nn3Cc2ccccc2Cl)cc1 1865703325 SZWOANZVVVPAQR-MHZLTWQESA-N 496.998 5.999 50 10 JKGE Cc1nn(-c2cccc(Cl)c2)c2c1[C@H](c1cccc(OCc3ccccc3)c1)C(C#N)=C(N)O2 1865712016 NSKOZRFMQCNHHV-RUZDIDTESA-N 468.944 5.631 50 10 JKGE Cc1nc(-c2ccc(Cl)c(Cl)c2)ccc1C(=O)NNC(=O)Cc1ccc(Cl)c(Cl)c1 1865759110 IULPAUTYFSFMFK-UHFFFAOYSA-N 483.182 5.674 50 10 JKGE COCCc1nc(Nc2ccc(SC#N)cc2)cc(N2C[C@H](c3ccc(F)cc3)O[C@H](C)C2)n1 1868253848 VZSFQTQVYHDYSA-VGOFRKELSA-N 479.581 5.088 50 10 JKGE CCc1nc(Nc2ccc(SC#N)cc2)cc(N2CCc3ccccc3[C@@H]2c2ccc(OC)cc2)n1 1868278239 XEJPZDOXUOGSCY-LJAQVGFWSA-N 493.636 6.516 50 10 JKGE C[C@@H]1CN(c2cc(Nc3ccc(SC#N)cc3)nc(C(C)(C)C)n2)C[C@@H](c2ccc(F)cc2)O1 1868342548 VRNKHAKBCNABRT-VGSWGCGISA-N 477.609 6.196 50 10 JKGE COc1cc(/C=C(\C#N)c2ccc(Cl)cc2F)ccc1OCc1c(Cl)ccc(Cl)c1Cl 1872729320 CHPUOOPVAPXAPL-RIYZIHGNSA-N 497.180 8.091 50 10 JKGE CCCCc1ccc(-c2csc(/C(C#N)=C(\O)[C@H](C(C)C)N3C(=O)c4ccccc4C3=O)n2)cc1 1872744833 KKIQSFGIQBTVCK-JRURIKFDSA-N 485.609 6.266 50 10 JKGE COc1ccc(/C=C(C(/O)=C(\C#N)c2nc(-c3ccc(Cl)cc3)cs2)\c2ccccc2)cc1 1872748046 FJXWNEFOLJMTNJ-ZCKZALKTSA-N 470.981 7.506 50 10 JKGE CCc1cccc(C)c1N1C[C@@H](/C(O)=C(\C#N)c2nc(-c3ccc(Cl)c(Cl)c3)cs2)CC1=O 1872748648 HEMSXBIVLSVCAD-BMCXAMSBSA-N 498.435 6.834 50 10 JKGE CC(C)c1ccc(-c2csc(/C(C#N)=C(\O)c3ccc4c(c3)C(=O)N(C(C)(C)C)C4=O)n2)cc1 1872752296 VNPFZMKOKFMZEF-LNVKXUELSA-N 471.582 6.278 50 10 JKGE COc1ccc(-c2csc(/C(C#N)=C/c3ccc(OCc4ccccc4Cl)cc3)n2)cc1F 1872792188 KDQYQIMDCIECPR-UDWIEESQSA-N 476.960 7.254 50 10 JKGE COc1ccc(-c2csc(/C(C#N)=C/c3ccccc3OCc3ccc(Cl)cc3)n2)c(C)c1C 1872792633 IYSHOASYCVLVCL-HYARGMPZSA-N 487.024 7.732 50 10 JKGE CC(C)(C)OC(=O)N[C@H](CBr)[C@@H]1CC[C@H]2CCCN(C(=O)OC(C)(C)C)[C@@H]2C1 1885098107 WJEMGHGRMQTLCV-QBPKDAKJSA-N 461.441 5.090 50 10 JKGE O=C(c1csc(I)c1)N(Cc1ccccc1)[C@@H](CBr)C1CC1 1915310324 AXRKNIILPVXVQQ-HNNXBMFYSA-N 490.204 5.169 50 10 JKGE COc1cc(Br)ccc1C(=O)N(Cc1ccccc1)C1(CBr)CCC1 1915741106 KGNMWJBWZIZDEO-UHFFFAOYSA-N 467.201 5.418 50 10 JKGE Fc1cc([C@@H](Cl)c2sc(Br)cc2Br)ccc1Br 1922944485 ZBIWLFZXAYTBRQ-SNVBAGLBSA-N 463.391 6.503 50 10 JKGE CC(C)Oc1cccc([C@H](Br)c2c(Cl)sc(Br)c2Cl)c1 1925600533 RTHPKTBQUAXTFG-NSHDSACASA-N 459.030 7.089 50 10 JKGE CCCN(Cc1ccccc1)S(=O)(=O)c1cc(Cl)cc(CBr)c1Cl 2009657691 DKHVOWCRGYTLHK-UHFFFAOYSA-N 451.213 5.489 50 10 JKGE CC(C)(C)OC(=O)NCCSSCCN[C@@H]1CCC(F)(F)C[C@@H]1OCc1ccccc1 2010827524 SDXKYHCVSJRRAR-MOPGFXCFSA-N 476.655 5.255 50 10 JKGE C[C@H](CCCl)C(=O)Nc1cc(Br)c(I)c(Br)c1 2011435032 RMSLRFXYCRXCEZ-ZCFIWIBFSA-N 495.380 5.020 50 10 JKGE Cl[C@@H](c1csc(I)c1)c1cc(Br)c2c(c1)CCO2 2030026067 UDKFOACGULMNDO-GFCCVEGCSA-N 455.542 5.378 50 10 JKGE Cc1ccc(C[C@@H](Br)c2csc(Br)c2Br)cc1C 2032953145 CVVXMEWTTIYFNM-GFCCVEGCSA-N 453.037 6.569 50 10 JKGE CS(=O)(=O)c1csc([C@H](Cl)c2csc(Br)c2Br)c1 2032954240 ZGJQJDROQXWMAH-SECBINFHSA-N 450.626 5.066 50 10 JKGE Cc1sc(Br)cc1[C@@H](Br)c1cc(Br)c(Cl)cc1F 2036568636 PFTWXHYKEMONOE-GFCCVEGCSA-N 477.418 6.858 50 10 JKGE Clc1c(Br)sc(Br)c1[C@@H](Br)[C@H]1CCCC12CCC2 2053378677 SKABSIRMNYMERZ-APPZFPTMSA-N 477.487 7.333 50 10 JKGE Clc1c(Br)sc(Br)c1[C@H](Br)[C@@H]1C[C@@H]1C1CCCC1 2079392136 IMEWNLPEZSGFGB-NQMVMOMDSA-N 477.487 7.189 50 10 JKGE Cc1sc(Br)c(C(Br)c2c(Br)sc(C)c2C)c1C 2082882666 BDEMVMWNGXWSBO-UHFFFAOYSA-N 473.093 7.053 50 10 JKGE Fc1cc([C@@H](Br)c2ccc(Br)cc2Br)ccc1Cl 2083336615 BQOFYQXLWBGQGK-CYBMUJFWSA-N 457.362 6.488 50 10 JKGE CCc1sc(Br)cc1[C@H](Br)c1cc(C)cc(Br)c1F 2090672936 CHRXYDMOYDFAGR-ZDUSSCGKSA-N 471.027 6.767 50 10 JKGE Brc1cccc(CN2C[C@@H]3CC[C@H](Br)C[C@H]3C2)c1Br 2092328398 LDACIJTVJFHOPO-DRZSPHRISA-N 452.028 5.207 50 10 JKGE CC1(C)CCN(Cc2cccc(Br)c2Br)C[C@H]1CBr 2092330279 HBWPXAOGIHFMKB-GFCCVEGCSA-N 454.044 5.455 50 10 JKGE C[C@@H](Cl)c1nc2cc(I)ccc2n1C1CC(COCc2ccccc2)C1 2092628567 ZAEPRGKBKYFBGS-MXWWQKGMSA-N 480.777 6.109 50 10 JKGE Fc1cc([C@@H](Br)c2csc(Br)c2Br)c(F)c(F)c1F 2093947614 AAOPTHGRTNDOJH-ZCFIWIBFSA-N 482.916 6.314 50 10 JKGE Clc1cc2c(cc1[C@H](Br)c1cscc1OCc1ccccc1)OCCO2 2100088750 GGXMIZCYLURVGS-FQEVSTJZSA-N 451.769 6.236 50 10 JKGE COC1CC2(C1)CC([C@@H](Br)c1c(Br)sc(Br)c1Cl)C2 2100346175 OSSSUKFXNPWUEY-OMLQMCLNSA-N 493.486 6.568 50 10 JKGE Clc1c(Br)cccc1COc1cc(Br)ccc1CBr 2110522254 WYUSFYXLMRNNJE-UHFFFAOYSA-N 469.398 6.339 50 10 JKGE Cc1cc([C@H](Br)c2cc(I)ccc2F)c(C)cc1Br 2113359164 YSMQQZXOYDLBEK-HNNXBMFYSA-N 497.971 6.294 50 10 JKGE Fc1ccc(I)cc1[C@H](Br)Cc1cccc(Cl)c1F 2113473869 VYUFCALBUKLSSS-LLVKDONJSA-N 457.483 5.902 50 10 JKGE C[C@@H]1CN(Cc2cc(Br)ccc2Br)CC[C@@H]1CCBr 2118519529 KZXKZIOWXOYWAR-NEPJUHHUSA-N 454.044 5.455 50 10 JKGE CC(C)[C@@H](Cl)c1cn(-c2c(Br)cc(Br)cc2Br)nn1 2121072187 GBZDOXWRNLFXPV-LLVKDONJSA-N 472.406 5.491 50 10 JKGE CCn1cc(Br)c([C@H](Br)c2cc(C)c(Br)cc2C)n1 2124769147 SBVGNTANZJVPME-CYBMUJFWSA-N 451.000 5.529 50 10 JKGE Cc1cc(Br)c(C)c([C@H](Br)[C@H]2C[C@@H]2C(C)(F)F)c1Br 2136369943 GWPAQVFJVFCUCI-MWODSPESSA-N 460.982 6.556 50 10 JKGE Cc1ccc(Br)c([C@H](Br)c2cc(Br)c3c(c2)CCO3)c1 2146630372 WOSCJWYMXSHTEW-OAHLLOKOSA-N 460.991 5.939 50 10 JKGE Cn1nc(COc2c(Cl)cc(Cl)cc2CBr)c(Br)c1Cl 2152997172 CHUBSKXESHHNAI-UHFFFAOYSA-N 463.384 5.617 50 10 JKGE FC1(F)CN(Cc2ccccc2)CCCCN(c2cc(CCl)c(Br)cn2)C1 2164876851 MRLJPVGGZHQEEY-UHFFFAOYSA-N 458.778 5.321 50 10 JKGE C[C@@H]([C@@H]1CCN(Cc2ccccc2)C1)n1c(CCl)nc2cc(Cl)c(Br)cc21 2169015775 REZWXRUJVBEFMN-GOEBONIOSA-N 467.238 6.274 50 10 JKGE C[C@@H](c1cc(C(F)(F)F)cc(C(F)(F)F)c1)[C@H](CBr)NC(=O)OC(C)(C)C 2178173204 ONZKZDMOQDKODV-ZANVPECISA-N 464.244 6.116 50 10 JKGE C[C@@H](N(Cc1ccccc1)S(=O)(=O)c1ccc(Cl)c(CBr)c1Cl)C(C)(C)C 2179829807 FFYGCJOQHCYZGC-CQSZACIVSA-N 493.294 6.514 50 10 JKGE Cc1cc(Br)c(C)c([C@H](Cl)c2c(F)cccc2Br)c1Br 2201080047 WBYWEESLCTVLRD-HNNXBMFYSA-N 485.416 7.058 50 10 JKGE CC[C@H](c1ccccc1)[C@@H](Br)c1ccc(Br)c(C)c1Br 2203684113 GEFYBBXFKPMXRV-CXAGYDPISA-N 461.035 7.150 50 10 JKGE CC[C@@H]1[C@@H](Cl)CC[C@@H]1c1sc(Br)c(Br)c1Br 2212188976 GUQQWMUOYCLICF-ACZMJKKPSA-N 451.449 6.547 50 10 JKGE CC[C@H](Br)CN(Cc1ccccc1)Cc1c(Br)sc2ccccc12 2213028805 KGZFPJPQBHYGHR-INIZCTEOSA-N 467.270 6.840 50 10 JKGE Cc1sc([C@H](Br)c2cc(Cl)c(Br)s2)c(C)c1Br 2213748178 IVCUYVLEJYEAPQ-SECBINFHSA-N 479.484 7.089 50 10 JKGE Clc1cc(Br)ccc1C[C@@H](Cl)c1c(Br)cccc1Br 2229153390 SXOCPOUTWOWFHS-CYBMUJFWSA-N 487.844 7.150 50 10 JKGE Clc1cc(Br)c([C@@H](Br)C[C@H]2CCC23CCC3)c(Cl)c1Cl 2232509880 FMQMAMXPHNFNAH-BDAKNGLRSA-N 461.452 7.816 50 10 JKGE C[C@@H]1OC2(C)CC1([C@@H](Br)c1c(Br)cc(Cl)c(Cl)c1Cl)C2 2232525236 BUISWRORWNGHQY-UHXQQICNSA-N 463.424 6.803 50 10 JKGE Cc1cc(Br)c([C@@H](Br)c2cc(Cl)cc(Cl)c2)c(C)c1Cl 2232531223 YZPDLBPJGSMHTB-AWEZNQCLSA-N 457.420 7.510 50 10 JKGE Brc1cc(C[C@@H](Br)c2ccccc2Br)n(CC2CC2)n1 2233300867 CNMDQXWMSXJIMY-CQSZACIVSA-N 463.011 5.497 50 10 JKGE Cn1ncc2cc([C@@H](Br)c3cc(Br)c(Br)cc3F)sc21 2233978252 ZPNSCCQOJFHFKO-LBPRGKRZSA-N 482.998 5.783 50 10 JKGE COc1cc(Cl)c([C@@H](Br)c2sc(C)c(C)c2Br)cc1Cl 2237630343 UNWRYOMNWFMJMY-CYBMUJFWSA-N 459.030 6.927 50 10 JKGE COc1ccc([C@@H](Cl)c2scc(Br)c2C)cc1I 2257365574 SGIFSPVTXUHIJX-GFCCVEGCSA-N 457.558 5.760 50 10 JKGE CC[C@H]([C@H](Br)c1c(F)cc(Br)c(F)c1Br)C(C)(F)F 2272726515 OXKDYFZDZFUEMJ-ANLVUFKYSA-N 470.924 6.607 50 10 JKGE COC[C@]1(C)C[C@@H]1[C@@H](Br)c1c(F)cc(Br)c(F)c1Br 2272844586 PQVUYODFIPYFIN-RMCLDHHASA-N 462.954 5.598 50 10 JKGE COc1ccc([C@H](Br)[C@@H]2CC[C@@H]3[C@@H](C2)C3(F)F)cc1I 2284997682 HSNANEHZHXNUAD-IDTAVKCVSA-N 457.096 5.417 50 10 JKGE FC(F)[C@@H]1CCC[C@H]1[C@H](Br)c1cc(I)cc2c1OCC2 2285650308 MXWGJIFFGANION-WZRBSPASSA-N 457.096 5.344 50 10 JKGE C=CC[C@]1(CBr)CCCCN1Cc1ccc(I)c(Cl)c1 2287713885 KHUIASUIWNKDFA-MRXNPFEDSA-N 468.604 5.640 50 10 JKGE C=CC[C@]1(CBr)CCCN1C(=O)c1cc(Br)ccc1Br 2287752185 FHSRTWNHNIJOIY-OAHLLOKOSA-N 466.011 5.157 50 10 JKGE C[C@H](Cl)CN(CC(C)(C)C)C(=O)c1ccc(I)c(Br)c1 2288079796 YWVSNZHEBLBHSQ-JTQLQIEISA-N 472.592 5.169 50 10 JKGE N#CC(=Cc1ccc(-c2cc(C(F)(F)F)ccc2Cl)o1)C(=O)Nc1cc(Cl)ccc1Cl 2293038706 VNRULOWZGXDUEY-UHFFFAOYSA-N 485.676 7.471 50 10 JKGE COc1cc(Br)ccc1[C@@H](Cl)Cc1cc(Br)cc(Br)c1 2295334244 UARLRNFBRBXEIU-AWEZNQCLSA-N 483.425 6.505 50 10 JKGE COc1cc(OC)c([C@@H](Br)c2cc(C)c(Br)s2)cc1Br 2295431656 YTSZFYMRCABEIA-CYBMUJFWSA-N 485.035 6.083 50 10 JKGE Cc1ccccc1C[C@@H]1SC(=C(C#N)C(=O)c2c[nH]c3ccccc23)N(c2ccccc2)C1=O 2296837809 UTYXTEIWCRQRMZ-VWLOTQADSA-N 463.562 5.786 50 10 JKGE CCOC(=O)c1ccc(-c2ccc(C=C(C#N)c3nc(-c4cccs4)c(NC(C)=O)s3)o2)cc1 2296846362 FSUHJODEGUVJQF-UHFFFAOYSA-N 489.578 6.331 50 10 JKGE N#CC1=C(N)OC2=C(CCCC2=Cc2c(Cl)cccc2Cl)[C@@H]1c1c(Cl)cccc1Cl 2297109890 VADFOVBANLKNIZ-FQEVSTJZSA-N 478.206 7.629 50 10 JKGE CCN(Cc1ccccc1)c1ccc(C=C(C#N)C(=O)Nc2ccc(SC(F)F)cc2)cc1 2297381518 KDCMUADKQIFPCZ-UHFFFAOYSA-N 463.553 6.573 50 10 JKGE CCOc1ccccc1NC(SCc1ccccc1Cl)=C(C#N)C(=O)NCc1cccs1 2297414617 ZSEZFFGVZJRUJQ-UHFFFAOYSA-N 484.046 6.197 50 10 JKGE FC(F)(F)COC[C@@H](Br)c1cc(Br)ccc1OCc1ccccc1 2299492738 IZPAGKCNGKDEAF-OAHLLOKOSA-N 468.107 6.043 50 10 JKGE Brc1ccc(OCc2ccccc2)c([C@H](Br)[C@]23CCCC[C@@H]2C3)c1 2299501256 MKNCFRDCIKGJLT-CZAAIQMYSA-N 450.214 7.044 50 10 JKGE CC(C)C1CC([C@H](Br)c2cc(Br)ccc2OCc2ccccc2)C1 2299503042 BPSJQWHIZPTJNG-BPZDKFOGSA-N 452.230 7.146 50 10 JKGE CC[C@@](C)(C(F)F)[C@H](Br)c1ccc(OCc2ccccc2)cc1Br 2299828051 GTUDHYGUMIJUML-IEBWSBKVSA-N 462.172 7.146 50 10 JKGE FC1(F)CC[C@@H]2[C@H]([C@H](Br)c3sc(Cl)cc3I)[C@@H]21 2300954535 ZBHWZUQJZDTTPY-WYPCVCTJSA-N 453.517 5.733 50 10 JKGE C#CCOc1c(Br)cc(C=C(C#N)C(=O)Nc2ccc(C)cc2)cc1Br 2313567224 DQAPBDBIFNPDEM-UHFFFAOYSA-N 474.152 5.078 50 10 JKGE CCOc1ccc(NC(=O)C(C#N)=Cc2cc(Cl)ccc2OCc2ccc(Cl)cc2)cc1 2313670720 RLMNZCQCVDVBSG-UHFFFAOYSA-N 467.352 6.517 50 10 JKGE CCOc1ccc(NC(=O)C(C#N)=Cc2ccc(OCc3ccccc3F)c(OCC)c2)cc1 2313738873 VLKYAQJRSOXFRL-UHFFFAOYSA-N 460.505 5.748 50 10 JKGE CCOC(=O)C(C#N)=Cc1cn(-c2ccccc2)nc1-c1cccc(OCc2ccc(C)cc2)c1 2314477888 BGYFOEPCZXHGJZ-UHFFFAOYSA-N 463.537 5.897 50 10 JKGE CCCN[C@@H](c1ccc(OCc2ccccc2)cc1Br)[C@H]1C[C@H](Br)C1 2314495432 QRWLOWNRIUFZFF-CBGDNZLLSA-N 467.245 6.242 50 10 JKGE Cc1cccc(Oc2nc3ccccn3c(=O)c2C=C(C#N)C(=O)Nc2ccccc2Cl)c1C 2314533890 URQFZFGFARMXMS-UHFFFAOYSA-N 470.916 5.303 50 10 JKGE CCCCOc1cccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)C=Cc4ccc(C)cc4)ccc32)c1 2314634735 DNVIEJQQWHFTOU-GDLZYMKVSA-N 480.564 6.011 50 10 JKGE CCOc1ccc(C=C(C#N)C(=O)Nc2sc(=S)c3c(c2C#N)CC[C@H](C)C3)cc1OC 2314793724 YNNMOAAEFUDCSU-AWEZNQCLSA-N 465.600 5.427 50 10 JKGE COC1CC([C@@H](Br)c2c(Cl)cc(Br)c(F)c2Br)C1 2315440460 TUXQYYNIYGLZJP-SHOFKNTGSA-N 465.382 5.865 50 10 JKGE Clc1cc(I)c([C@@H](Cl)Cc2ccc(Br)cc2Cl)s1 2316599207 NEHRQLGFTNTTKG-VIFPVBQESA-N 496.422 6.945 50 10 JKGE Cc1c(Br)sc([C@@H](Cl)c2c(Br)c(Br)nn2C)c1C 2316836911 AGVJCKVHYUFKSK-ZETCQYMHSA-N 477.447 5.714 50 10 JKGE Cc1ccc(-c2csc3nc(SCC(=O)NN=Cc4ccc(C(C)C)cc4)nc(O)c23)cc1 2320488217 CALVPCKMUMEMRR-UHFFFAOYSA-N 476.627 5.738 50 10 JKGE C[C@@H]1CN(Cc2ccc(I)c(Br)c2)[C@H](C)C[C@H]1Br 2325208136 UFLPHDPPNBNWSO-CKYFFXLPSA-N 487.017 5.048 50 10 JKGE CCOc1cc(C=C(C#N)n2cnc3ccccc32)ccc1OCc1c(Cl)cccc1Cl 2331032809 JBKRKDHVZOFRDN-UHFFFAOYSA-N 464.352 6.842 50 10 JKGE N#CC(=C(O)CN1C(=O)COc2ccc(Cl)cc21)c1nc(-c2ccc3c(c2)CCCC3)cs1 2331241372 BFPSUFYOWLDSBF-UHFFFAOYSA-N 477.973 5.561 50 10 JKGE CCCCc1ccc(-c2csc(C(C#N)=C(O)C=Cc3ccc(Cl)c(Cl)c3)n2)cc1 2331256045 QSMPNJBVMHCTNO-UHFFFAOYSA-N 455.410 7.966 50 10 JKGE CC[C@H](C)[C@@H](C(O)=C(C#N)c1nc(-c2ccccc2OC)cs1)N1C(=O)c2ccccc2C1=O 2331282299 ARMXHAQSXOGWEQ-NYHFZMIOSA-N 473.554 5.322 50 10 JKGE CC(C)(C)c1ccc(-c2csc(C(C#N)=C(O)c3ccc4c(c3)C(=O)N(C(C)(C)C)C4=O)n2)cc1 2331331575 QEHKBWRTRITSLK-UHFFFAOYSA-N 485.609 6.452 50 10 JKGE CCOc1ccc(OCC)c(-c2csc(C(C#N)=C(O)[C@@H]3CC(=O)N(C(C)(C)C)C3)n2)c1 2331376617 YYECYGSFDOOLNW-OAHLLOKOSA-N 455.580 5.047 50 10 JKGE COc1ccc(CC(O)=C(C#N)c2nc(-c3ccc(OC)c4ccccc34)cs2)c(OC)c1 2331405129 UKQBBDIPLKBOBW-UHFFFAOYSA-N 458.539 6.024 50 10 JKGE Cc1c(Br)ccc([C@@H](Br)[C@H]2[C@@H]3[C@H]2CCC3(F)F)c1Br 2333145729 BMDYSFWBTBRJRR-LXOIKGMDSA-N 458.966 6.247 50 10 JKGE Brc1ccc(OCc2ccccc2)c([C@@H](Br)C2C[C@H]3CCC[C@H](C2)C3)c1 2336044432 OBOLNEKMYVBXAB-BSRJHKFKSA-N 478.268 7.681 50 10 JKGE C[C@]1([C@H](Br)c2c(Cl)cc(Br)c(F)c2Br)COCCO1 2337085606 ASCLXLOYPOFDDT-VXGBXAGGSA-N 481.381 5.246 50 10 JKGE Fc1c(Br)cc(Cl)c([C@H](Br)C[C@]23CCC[C@@H]2C3)c1Br 2337085871 FDKDJCVKAWOMKQ-BDCGGMFSSA-N 475.421 7.020 50 10 JKGE Clc1ccc(CN2CC[C@@H](Br)CC23CCC3)cc1I 2337230047 OQLGMJZKFJEKKP-GFCCVEGCSA-N 454.577 5.227 50 10 JKGE Cc1c([C@@H](Br)c2cc(Br)ccc2Br)ccc(Cl)c1Cl 2339152868 KKMKYSNQGGCNAG-CYBMUJFWSA-N 487.844 7.311 50 10 JKGE Cc1cc(Br)c(F)c(Br)c1[C@H](Br)[C@@H]1CCC[C@@H]2C[C@@H]21 2339654272 QYQSBAPUVKCLRV-ORXSELOVSA-N 455.003 6.531 50 10 JKGE COc1c(Br)cc(C)c([C@@H](Br)[C@@]2(C)CC2(C)C)c1Br 2339689096 BZPLFGFSNUPWGD-UKRRQHHQSA-N 455.028 6.401 50 10 JKGE COc1cc(Br)c([C@@H](Br)c2csc(C)c2Br)cc1C 2343564822 QECLBVCMGZGUQH-CQSZACIVSA-N 469.036 6.383 50 10 JKGE COC[C@@H]1CC[C@H]([C@@H](Br)c2c(Cl)cc(Br)c(F)c2Br)C1 2362241192 URVDTZARXABPAA-RGNHYFCHSA-N 493.436 6.503 50 10 JKGE CCOc1ccc([C@H](Br)c2c(Br)nc(C)n2C)c(Br)c1 2362484240 YXTJDDAOAFGODP-LBPRGKRZSA-N 466.999 5.137 50 10 JKGE CCCCCCCCCCC[C@H](Br)c1sc(Cl)cc1I 2363892109 OHEXSPGIVDHWAB-ZDUSSCGKSA-N 491.704 8.363 50 10 JKGE Cc1cc(Br)c(F)c(Br)c1[C@@H](Br)Cc1cccc(F)c1 2365181169 VAVIJOKYAAETJS-NSHDSACASA-N 468.961 6.477 50 10 JKGE CCCC1([C@H](Br)c2c(C)cc(Br)c(OC)c2Br)CCC1 2365216022 QDBRMPFBAMOPKG-OAHLLOKOSA-N 469.055 6.935 50 10 JKGE CC(C)(C)OC(=O)NCC(F)(F)[C@@H]1CCCCN1C[C@@](C)(CBr)C(C)(C)C 2380206191 NYMFZZOSZIBQFD-HNAYVOBHSA-N 455.428 5.448 50 10 JKGE BrCc1cc(Br)cc(Br)c1O[C@@H]1CCC[C@@H]2CCO[C@H]21 2380213465 MFSCVDIWYXCOBH-XXLQHYSLSA-N 469.011 5.443 50 10 JKGE CCc1cc(Br)c(OC)c([C@H](Br)c2ccccc2Br)c1 2381254338 PRXLRLGPFBQEHE-OAHLLOKOSA-N 463.007 6.267 50 10 JKGE O=C(NC1CCCCCC1)[C@H](c1ccc(F)cc1Cl)N(Cc1cccs1)C(=O)CCl 3039212 KQESJVUPOVKLJY-NRFANRHFSA-N 471.425 5.688 50 10 JKGE CCCCCCOc1ccc(C(=O)NNC(=O)[C@H](CC)Oc2ccccc2[C@@H](C)CC)cc1 10683839 YQVKACHMXHSXHW-RDPSFJRHSA-N 454.611 5.778 50 10 JKGE C[C@H](Oc1ccc(Cl)cc1Cl)C(=O)NNC(=O)N1c2ccccc2Sc2ccccc21 13988864 MGIBGMUPKRLEKX-ZDUSSCGKSA-N 474.369 5.804 50 10 JKGE CCCCC(=O)Nc1ccc(C(=O)NNC(=O)N2c3ccccc3Sc3ccccc32)cc1 13988942 LBLSOOYVHVUJFX-UHFFFAOYSA-N 460.559 5.473 50 10 JKGE COc1cc(/C=N/NC(=O)[C@@H](C)n2nnc3ccccc32)ccc1OCc1ccc(Cl)c(Cl)c1 20311418 JGQYYXSVOYYJNC-QJXMJWHHSA-N 498.370 5.037 50 10 JKGE N#C/C(=C/c1ccccc1[N+](=O)[O-])c1nc(-c2cc3cc(Br)ccc3oc2=O)cs1 33246775 FPCHPYZBBUTQGZ-AUWJEWJLSA-N 480.299 5.651 50 10 JKGE CCOc1cc(/C=C(/C#N)C(=O)NCc2ccco2)ccc1OCc1cccc2ccccc12 33879912 VKDWVBCDTZIUNC-HAHDFKILSA-N 452.510 5.634 50 10 JKGE Cc1cccc(NC(=O)/C(C#N)=C2/S[C@H](Cc3ccc(F)cc3)C(=O)N2c2ccccc2)c1 35212344 ZAPKLNBDKWUWRW-QPQMVVSWSA-N 457.530 5.199 50 10 JKGE COc1cc(/C=C(/C#N)c2nc3ccccc3s2)ccc1OCc1cccc(C(F)(F)F)c1 35386184 MQRKVWOAOBXXAG-WQRHYEAKSA-N 466.484 6.967 50 10 JKGE CN(C)c1ccc(N2C(=O)CS[C@H]2c2cccc(NC(=O)[C@@H](Cl)c3ccccc3)c2)cc1 35928528 FKAYDFALVBAYLT-ZCYQVOJMSA-N 466.006 5.450 50 10 JKGE CCCOc1ccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)[C@H](C)Oc4ccccc4F)ccc32)cc1 38650674 OOSOXAPYESZISB-QLXKLKPCSA-N 488.515 5.206 50 10 JKGE N#CC1=C(N)Oc2cc(OC(=O)COc3ccc(Cl)cc3)ccc2[C@H]1c1cccc(Cl)c1 38651139 XDKPHTNOAJVWBT-HSZRJFAPSA-N 467.308 5.196 50 10 JKGE Cc1ccc(C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@@H]3c2ccc(Cl)c(Cl)c2)cc1 38655652 JSMADHVJXLXGLQ-JOCHJYFZSA-N 451.309 5.739 50 10 JKGE CCOc1cccc(C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@H]3c2cccc3ccccc23)c1 38657883 AUYVFKIMGQQSBG-MHZLTWQESA-N 462.505 5.676 50 10 JKGE N#CC1=C(N)Oc2cc(OC(=O)c3cccs3)ccc2[C@@H]1c1ccc(OCc2ccccc2F)cc1 38686413 RHEWSKWDLQXSTI-SANMLTNESA-N 498.535 5.904 50 10 JKGE COc1cccc(NC(=O)c2oc3c(c2C)/C(=N/NC(=O)c2ccc(-c4ccccc4)cc2)CCC3)c1 40822616 CHSANEGOIBVTCI-WGPBWIAQSA-N 493.563 5.986 50 10 JKGE COC(=O)c1c(NC(=O)/C(C#N)=C/c2ccccc2OC)sc(C)c1-c1cccc(Cl)c1 40977786 UDOUGKSFQOGEHP-GZTJUZNOSA-N 466.946 5.718 50 10 JKGE O=C(CC[C@@H](O)c1ccccc1)N/N=C\c1cc(Cl)c(OCc2ccc(Cl)cc2)c(Cl)c1 58889402 CWKBBELVOADPMX-MGCJZSHXSA-N 491.802 6.190 50 10 JKGE O=C(N/N=C/c1ccccc1Oc1ccc(C(F)(F)F)cc1[N+](=O)[O-])c1cc2ccccc2cc1O 59500346 YUQUBNLTQCCKNY-IPPBACCNSA-N 495.413 6.029 50 10 JKGE Cc1cc([C@@H](Br)c2cc(F)cc(Br)c2)c(C)cc1Br 70472235 PJVYKBLVYXMNHF-HNNXBMFYSA-N 450.971 6.452 50 10 JKGE CCOc1ccc(N2C(=O)[C@@H](Cc3ccccc3)S/C2=C(/C#N)C(=O)Nc2ccc(C)cc2)cc1 101246196 NNNKILCZRJVWJS-IEQIIXMPSA-N 483.593 5.459 50 10 JKGE CCCCN1C(=O)C(C#N)=C(C)/C(=C\c2cn(-c3ccccc3)nc2-c2ccc(OCC)c(C)c2)C1=O 101333036 DTCRQDCKZPUZRT-KOEQRZSOSA-N 494.595 5.639 50 10 JKGE COc1cc(/C=C2/C(=O)N(Cc3ccco3)C(=O)C(C#N)=C2C)ccc1OCc1ccc(Cl)cc1 101336886 LZHLGUIJYAFHIZ-WSDLNYQXSA-N 488.927 5.313 50 10 JKGE COc1cccc(OC)c1[C@@H](Br)c1cc(Br)ccc1Br 109844627 SUDWRLYNCABJSR-HNNXBMFYSA-N 464.979 5.713 50 10 JKGE COc1cc(Br)c([C@@H](Br)c2ccc(Br)c(F)c2)cc1OC 109860045 BSPUSKQTHWMRAI-HNNXBMFYSA-N 482.969 5.852 50 10 JKGE Clc1cccc([C@H](Br)c2cc(Br)sc2Br)c1Cl 109870013 OWDYIAPGPMCYEB-VIFPVBQESA-N 479.846 7.064 50 10 JKGE COc1ccc(Br)cc1COc1ccc(CBr)cc1Br 110379504 YCVACFQTIQFFCR-UHFFFAOYSA-N 464.979 5.694 50 10 JKGE Cc1cc(Br)c([C@H](Cl)c2ccc(Br)c(Cl)c2)cc1Br 128668507 VGFMYIAJUGZUES-CQSZACIVSA-N 487.844 7.264 50 10 JKGE CN(C(=O)c1cc(Br)c(Br)s1)[C@H]1CCCC[C@H]1Br 158102987 ZAPUGYQITYTCPF-APPZFPTMSA-N 460.029 5.051 50 10 JKGE Fc1cc(Br)cc(F)c1[C@@H](Br)c1csc2c(Br)cccc12 163514868 HUQYXRSACVLBII-AWEZNQCLSA-N 496.996 7.189 50 10 JKGE BrC[C@H](Cc1cc(Br)cc2c1OCC2)c1cccc(Br)c1 228556276 PQFDCYCNYQNBPE-AWEZNQCLSA-N 475.018 5.868 50 10 JKGE Clc1cc([C@H](Br)c2csc3ccccc23)ccc1I 232343279 BICFEWAOQWVIDG-HNNXBMFYSA-N 463.565 6.644 50 10 JKGE COc1ccccc1C[C@H](Br)c1cc(I)ccc1Br 234898909 QIHIQRVHMONCKI-AWEZNQCLSA-N 495.980 5.741 50 10 JKGE C[C@@H]1CCC[C@](CBr)(NC(=O)c2ccc(Br)cc2Br)C1 235338033 SAPAWEPBBGQVCW-BMIGLBTASA-N 468.027 5.285 50 10 JKGE Clc1cccc(C[C@H](Br)c2cc(Cl)ccc2I)c1 236065954 SWZCXSPGELPINA-ZDUSSCGKSA-N 455.948 6.277 50 10 JKGE Cc1cc(C=NNC(=O)c2ccc(CN3CCc4ccccc4C3)cc2)c(C)n1-c1ccccc1F 252599774 DLODCXORPSYLDB-UHFFFAOYSA-N 480.587 5.555 50 10 JKGE CCCCCCCCCCCCCCCC(=O)NN=Cc1c2ccccc2cc2ccccc12 254418906 CNAKWSPQFFCWOM-UHFFFAOYSA-N 458.690 8.924 50 10 JKGE CC(C)C(=NNC(=O)CCCCCCC(=O)NN=C(c1ccccc1)C(C)C)c1ccccc1 254490429 SEHLJKWPIQPACF-UHFFFAOYSA-N 462.638 5.680 50 10 JKGE C[C@H](Br)C[C@@H]1CCCCCN1C(=O)c1cc(Br)c(Br)s1 312860318 QRAPIOXATOWYOD-UWVGGRQHSA-N 488.083 5.831 50 10 JKGE C[C@@H](Cl)c1nc2ccncc2n1-c1ccc(I)cc1Br 313066306 UTGYBMXWGMRLFN-MRVPVSSYSA-N 462.516 5.087 50 10 JKGE Fc1cc(Br)c([C@@H](Br)c2ccc(Cl)cc2Br)c(F)c1F 398752040 XYMAOOBORNBQQB-NSHDSACASA-N 493.342 6.767 50 10 JKGE C[C@H]1[C@@H](Br)C[C@H]2CC[C@H]1N2C(=O)c1scc(Br)c1Br 686176298 SQACWAWXOFFJQQ-PYHGXSLLSA-N 472.040 5.050 50 10 JKGE ClCc1nc2cc(Br)cnc2n1-c1cc(Br)cc(Br)c1 690369075 XVADAEWAPFDXQS-UHFFFAOYSA-N 480.385 5.447 50 10 JKGE Fc1ccc([C@@H](Br)c2scc(Br)c2Br)c(F)c1Cl 705479084 ZJAFIJJWKHRGCY-SSDOTTSWSA-N 481.381 6.689 50 10 JKGE C[C@@H]1CCN(Cc2ccccc2)C[C@H]1n1c(CCCl)nc2cc(I)ccc21 716298581 HOYCTCAUBCZNLL-IIBYNOLFSA-N 493.820 5.505 50 10 JKGE Fc1ccc([C@H](Br)c2ccc(I)c(Br)c2)c(F)c1 721590860 AQCKQMJJRZRCFT-CYBMUJFWSA-N 487.907 5.816 50 10 JKGE O=C([C@@H](c1cccs1)N(C(=O)CCl)c1cccc(C(F)(F)F)c1)N1CCc2ccccc21 725237661 LHTMVKFLIVBFBT-OAQYLSRUSA-N 478.923 5.669 50 10 JKGE CCOc1c(Br)cc(C=NNC(=O)c2cc3cc(Br)ccc3o2)cc1OC 1083886603 DEPWIBXDGZZMBZ-UHFFFAOYSA-N 496.155 5.129 50 10 JKGE N#C/C(=C\c1ccc(OCc2ccccc2Cl)cc1)C(=O)Nc1cccc(Cl)c1Cl 1083922712 UFNASDLXALLKAZ-SFQUDFHCSA-N 457.744 6.771 50 10 JKGE O=C(COc1cc(Cl)cc(Cl)c1Cl)NN=Cc1cc(Br)c(N2CCCC2)o1 1084091372 PBIVKNAHQBQUHE-UHFFFAOYSA-N 495.588 5.132 50 10 JKGE COc1cc(C=NNC(=O)c2c[nH]c3ccccc23)cc(Br)c1OCc1ccc(F)cc1 1084108033 OZJHTXRLXUSVPL-UHFFFAOYSA-N 496.336 5.421 50 10 JKGE CCOc1cc(/C=C(/C#N)C(=O)Nc2cccc3ccccc23)ccc1OCc1ccc(F)cc1 1084120456 HCBYKRPBMPYNFD-KQWNVCNZSA-N 466.512 6.502 50 10 JKGE CCOc1cc(C=NNC(=O)c2ccccc2Br)ccc1OCc1ccc([N+](=O)[O-])cc1 1084367530 SZMHJHTVTFHHOZ-UHFFFAOYSA-N 498.333 5.099 50 10 JKGE O=C(NN=Cc1cc(-c2ccccc2)n(-c2ccc([N+](=O)[O-])cc2)c1-c1ccccc1)c1ccccn1 1084412941 UPXDYLVGSBKQGB-UHFFFAOYSA-N 487.519 5.878 50 10 JKGE CN(C)C(=O)/C(C#N)=C/c1cc(Cl)c(OCc2ccc(Cl)cc2Cl)c(Br)c1 1084476633 UWPYIGVSNINQBR-WLRTZDKTSA-N 488.596 5.983 50 10 JKGE Cc1occc1C(=O)NN=C1CCCc2oc(C(=O)N3c4ccc(F)cc4CC[C@@H]3C)c(C)c21 1772749857 TWCWJDLDTUJYQO-AWEZNQCLSA-N 463.509 5.080 50 10 JKGE Cc1ccc(C)c(Cn2nc(C(F)(F)F)c3c2OC(N)=C(C#N)[C@@H]3c2ccc(C(C)(C)C)cc2)c1 1865682274 KWDSVHAUKNUOPA-NRFANRHFSA-N 480.534 6.083 50 10 JKGE CCCCCCOc1ccc([C@@H]2C(C#N)=C(N)Oc3c2c(C)nn3Cc2ccccc2)cc1OC 1865696295 LTUDLSJZSUPHIB-AREMUKBSSA-N 472.589 5.426 50 10 JKGE COc1cc([C@H]2C(C#N)=C(N)Oc3c2c(C)nn3Cc2c(F)cccc2Cl)ccc1OC(C)C 1865697329 ZVEDDXUEFNUAMS-QHCPKHFHSA-N 482.943 5.046 50 10 JKGE Cc1nc(-c2ccc(F)cc2)ccc1C(=O)N/N=C\c1cc(Cl)cc(Br)c1O 1865760702 LGAJLLORLPGUIT-VROXFSQNSA-N 462.706 5.082 50 10 JKGE Cc1ccc(C(=O)CCC(=O)N/N=C\c2c(C(C)C)nc3c(Cl)cc(C(F)(F)F)cn23)c(C)c1 1865762564 OMXDUNWCHGMHLN-KYMQWJLESA-N 492.929 5.860 50 10 JKGE Cc1ccc([C@H](C(=O)N[C@H](Cc2ccccc2)C(=O)Nc2ccc(SC#N)cc2)C(C)C)cc1 1866955765 JAZJLYKHFGVNNA-CLJLJLNGSA-N 471.626 5.674 50 10 JKGE COc1ccc(Br)cc1/C=C1\Oc2c(ccc(OC(=O)C(Cl)Cl)c2C)C1=O 1871386353 QEUMJTFHMWFCFN-NVNXTCNLSA-N 472.118 5.091 50 10 JKGE CCCOc1ccc(-c2csc(/C(C#N)=C/c3ccc(OCc4ccc(C)cc4)cc3)n2)cc1 1872790788 FCSRTAYTAWPGDE-KOEQRZSOSA-N 466.606 7.551 50 10 JKGE COCCCN1C(=O)c2ccc(/C(O)=C(\C#N)c3nc(-c4cccc(Cl)c4)cs3)cc2C1=O 1872818047 KRKYOBFBJUDLPE-VZCXRCSSSA-N 479.945 5.046 50 10 JKGE Brc1cccc(Br)c1CO[C@@H]1CCC[C@H]1I 1901777980 NAHHVPJZUJIMDP-VXGBXAGGSA-N 459.947 5.084 50 10 JKGE C[C@H]1CN(Cc2ccccc2)C[C@@H]1n1c(CCCl)nc2c(Br)cc(F)cc21 1912692200 DZUJNXOMUOQEOA-LIRRHRJNSA-N 450.783 5.412 50 10 JKGE Cc1cc(Br)c(S(=O)(=O)N(Cc2ccccc2)C[C@@H](C)Cl)cc1Br 1914664334 RJHRODRCRKLMSW-CYBMUJFWSA-N 495.664 5.338 50 10 JKGE C[C@H]1CN(Cc2ccccc2)C[C@@H](C)CN1c1cc(Br)ccc1CBr 1921467252 WIXVVXPKYANAAT-SJORKVTESA-N 466.261 5.691 50 10 JKGE FC(F)(F)c1cscc1[C@H](Br)c1sc(Br)cc1Br 1922881556 IYYXCMPQGHSGHW-QMMMGPOBSA-N 484.982 6.838 50 10 JKGE Clc1c(Br)sc(Br)c1[C@@H](Cl)c1ccc(Br)o1 1923047489 CBHGLVYFVTVMAC-LURJTMIESA-N 469.807 6.610 50 10 JKGE COc1ccc(C[C@@H](Cl)c2c(Br)sc(Br)c2Br)cc1 1924596896 VIAHIGUSEKQHQB-SECBINFHSA-N 489.454 6.567 50 10 JKGE CC(C)(C1CC1)[C@@H](Br)c1c(Br)sc(Br)c1Br 1924615093 WJPGBMAEKPJXMT-QMMMGPOBSA-N 495.900 6.908 50 10 JKGE Cl[C@H](c1c(Br)sc(Br)c1Br)[C@@]12CCCC[C@H]1CCC2 1924616392 OEYHYHRKFAHVEG-OLXJLDBKSA-N 491.514 7.676 50 10 JKGE Fc1cc2c(cc1I)nc(CCl)n2-c1cscc1Br 1925115164 GHURPJLLRKNRLQ-UHFFFAOYSA-N 471.520 5.332 50 10 JKGE C[C@@H](Cl)c1nc2cc(I)ccc2n1-c1cscc1Br 1925115586 MLEZVRJJXDCLKR-SSDOTTSWSA-N 467.557 5.754 50 10 JKGE Fc1cc(Cl)c([C@@H](Br)c2cc(I)sn2)cc1F 2007646426 XWIKCCQDUGELPK-SNVBAGLBSA-N 450.473 5.164 50 10 JKGE Cl[C@@H](c1ccc(OCc2ccccc2)cc1)c1ccc(Br)cc1Br 2024295912 WEVWBWBZRYMLMT-FQEVSTJZSA-N 466.600 7.119 50 10 JKGE Brc1cc([C@@H](Br)c2cccc(C3CC3)c2)c(Br)s1 2036357894 IKLRCSRGKQNBQE-ZDUSSCGKSA-N 451.021 6.635 50 10 JKGE CCCCC[C@H](C)Cn1c(SCC(=O)C(C#N)=C(C)N)nnc1-c1ccc(C(C)(C)C)cc1 2042437910 GREZDXUNHIEVHM-SFHVURJKSA-N 467.683 5.876 50 10 JKGE CO[C@@H]1CC([C@@H](Br)c2sc(Br)cc2Br)C[C@H]1OC 2054483670 TZPTWZWWKHISQQ-FXPVBKGRSA-N 463.029 5.149 50 10 JKGE O=S(=O)(c1ccc(Cl)c(CBr)c1Cl)N(Cc1ccccc1)CC1CC1 2059292257 UZEAWHFWUGZAPF-UHFFFAOYSA-N 463.224 5.489 50 10 JKGE C[C@@H](Br)[C@@H](NCc1ccc(Br)cc1Br)C(F)(F)F 2074716254 LFXNJJWTRVWHAS-LHLIQPBNSA-N 453.922 5.016 50 10 JKGE CCOc1ccc(Cn2nc(CBr)c(Br)c2C(F)(F)F)c(F)c1 2079228980 CCZGIODIAKJOFC-UHFFFAOYSA-N 460.063 5.145 50 10 JKGE Fc1cccc([C@@H](Cl)c2ccc(Br)cc2Br)c1Br 2083331276 XMNIFLQADDDBAC-ZDUSSCGKSA-N 457.362 6.441 50 10 JKGE C[C@H](CBr)N(Cc1ccccc1)C(=O)c1ccc(OC(F)(F)F)c(Cl)c1 2107092893 JFTZDHIMSBDVCD-GFCCVEGCSA-N 450.682 5.664 50 10 JKGE Clc1cccc(CC[C@H](Br)c2ccc(Br)cc2)c1Br 2113486395 FESCHHDVFCMUNM-ZDUSSCGKSA-N 467.426 6.934 50 10 JKGE CC(C)(C)[C@@H]1[C@H](Br)CCN1Cc1cc(Br)ccc1Br 2128686532 JFXMKULAGFQRNX-KGLIPLIRSA-N 454.044 5.596 50 10 JKGE Cc1cc(Br)c(C)c([C@@H](Cl)c2cccc(Br)c2)c1Br 2136373302 ZOPCYYKPKMBNCP-HNNXBMFYSA-N 467.426 6.919 50 10 JKGE Fc1cc(Br)c([C@H](Cl)c2cc(Br)c(Cl)s2)c(F)c1Cl 2136957346 CESIMYCNIANYBQ-SECBINFHSA-N 471.375 7.186 50 10 JKGE COc1cc(Cl)ccc1[C@@H](Br)c1ccc(Br)cc1Br 2138853477 QSYHLJZPKITDLD-AWEZNQCLSA-N 469.398 6.358 50 10 JKGE Cc1c(Br)ccc([C@@H](Br)[C@@H]2CC23CCCCC3)c1Br 2138874932 ZZXPHIOTOHIBMA-SWLSCSKDSA-N 451.040 6.926 50 10 JKGE CC1(CC(CBr)(CBr)c2ccccc2Br)CCOCC1 2143858379 XVUYVAJWCQOMBV-UHFFFAOYSA-N 469.055 5.684 50 10 JKGE Brc1cccc(Br)c1[C@H](Br)Cc1nc2ccccc2o1 2150504302 VBLCQKBQWRJFTM-LLVKDONJSA-N 459.963 6.032 50 10 JKGE Cc1ccc(Br)c(CC(CBr)(CBr)C2CCCCC2)n1 2169023285 JTNKYZJRGPGSDV-UHFFFAOYSA-N 468.071 6.052 50 10 JKGE Cc1cc(Br)c(CBr)c(N2CCC[C@]3(CCN(Cc4ccccc4)C3)C2)c1 2173451766 YZSJYTFFGCDCDR-HSZRJFAPSA-N 492.299 6.145 50 10 JKGE Cc1nn(C)c(C)c1COc1c(Br)cc(CBr)cc1Br 2187820994 AMOMVPIIYTTXPA-UHFFFAOYSA-N 466.999 5.036 50 10 JKGE CCCCCc1ccc([C@H](Cl)c2cc(I)ccc2Br)s1 2197255988 LSDVNJKJXMRIMN-MRXNPFEDSA-N 483.640 7.176 50 10 JKGE Brc1ccc([C@@H](Br)C2CC3(C2)CC2(CCC2)C3)c(Br)c1 2203694139 SHNKHBANBGHBQN-HNNXBMFYSA-N 463.051 7.008 50 10 JKGE Fc1ccc(CO[C@H](CBr)c2ccccc2Br)c(Br)c1 2206267112 OLTUZLXFKKKCGH-OAHLLOKOSA-N 466.970 6.004 50 10 JKGE Cc1cc(Br)c([C@H](Br)c2ccc(C)c(I)c2)s1 2212991690 BAYCVOMHIZKHPU-GFCCVEGCSA-N 486.010 6.216 50 10 JKGE Cc1cc([C@H](Cl)c2c(Br)cc(Cl)c(Cl)c2Cl)c(Br)s1 2224302469 LYCKTHURSKANJL-VIFPVBQESA-N 483.867 7.870 50 10 JKGE Cc1cc(Br)c([C@H](Br)c2nn(C)cc2Br)c(C)c1Cl 2224303448 XEVAYSLJELBZSK-NSHDSACASA-N 471.418 5.700 50 10 JKGE Cc1cc(Br)c([C@@H](Cl)c2cc(Cl)c(Cl)s2)c(C)c1Br 2227347823 KUNFLIOQSMGEEO-LBPRGKRZSA-N 463.449 7.525 50 10 JKGE Cc1cc([C@H](Br)c2c(F)cc(F)c(Br)c2F)c(Br)s1 2227799030 AAHKLCAFFVGNIC-VIFPVBQESA-N 478.953 6.483 50 10 JKGE Cc1cc([C@H](Cl)c2c(Br)cc(C)c(Cl)c2C)ccc1I 2232508118 BEZVRNVDXKPLDE-INIZCTEOSA-N 484.002 6.961 50 10 JKGE COc1ccc([C@H](Br)c2ccc(C)c(I)c2)c(Cl)c1Cl 2232835647 WSBDWOXWGHYBLS-CYBMUJFWSA-N 485.974 6.399 50 10 JKGE C[C@@H](Cl)c1nc2cc(F)c(Br)cc2n1C[C@H]1CC1(Br)Br 2233041658 UKARYEJVBQMKAZ-RNFRBKRXSA-N 489.408 5.744 50 10 JKGE Cc1cc(Br)c([C@H](Br)[C@@H]2CC23CC(F)(F)C3)c(C)c1Br 2235608909 MDZNCWZJEHNKNW-TVQRCGJNSA-N 472.993 6.700 50 10 JKGE Cc1cc([C@H](Cl)c2ccc(Cl)c(I)c2)sc1Br 2248213563 FSMPZCZOUVRDHM-LLVKDONJSA-N 461.977 6.405 50 10 JKGE Clc1cccc([C@@H](Br)c2cc(C3CC3)c(Br)s2)c1Br 2267985117 VILUJHBHOSZJMJ-CYBMUJFWSA-N 485.466 7.288 50 10 JKGE C=CC[C@]1(CBr)CCN(C(=O)c2cc(Br)c(Br)s2)C1 2272180190 VSPKSUQPRHXTSR-CYBMUJFWSA-N 472.040 5.076 50 10 JKGE Brc1cc(Br)cc(C[C@@H](Br)c2ccc(C3CC3)s2)c1 2277882373 AEACFMFZSBJKEP-CYBMUJFWSA-N 465.048 6.829 50 10 JKGE COc1c(Br)cc(Cl)cc1[C@@H](Br)c1cc(Cl)c(Cl)s1 2277890846 XCECDVZGGJBULB-SNVBAGLBSA-N 465.421 6.964 50 10 JKGE FC(F)CC1([C@H](Br)Cc2cc(Br)cc(Br)c2)CCC1 2277962479 ICOAWMSEEIAPSJ-GFCCVEGCSA-N 460.982 6.343 50 10 JKGE Fc1cc(Br)c(F)c(Br)c1[C@H](Br)[C@@H]1C[C@@H]1C1CCCC1 2288349965 VQWLMMWMLLIAPZ-JRKPZEMJSA-N 472.993 6.752 50 10 JKGE CC1(C)OCCC[C@H]1[C@@H](Br)c1c(F)cc(Br)c(F)c1Br 2288364590 SWOGWYDVBMZKHC-WRWORJQWSA-N 476.981 6.131 50 10 JKGE N#CC(C(=O)N1CCCCC1)=C1S[C@@H](Cc2cc(Cl)ccc2Cl)C(=O)N1c1ccccc1 2296506727 BXIOCOIJGFEVJU-NRFANRHFSA-N 486.424 5.432 50 10 JKGE CC(C)(C)c1ccc(Oc2nc3ccccn3c(=O)c2C=C(C#N)S(=O)(=O)c2ccccc2)cc1 2296541865 BORJKGZCUROCTF-UHFFFAOYSA-N 485.565 5.123 50 10 JKGE Cc1ccc(NC(=O)C(C#N)=C2S[C@H](Cc3cccc([N+](=O)[O-])c3)C(=O)N2c2ccc(C)cc2)cc1 2296834882 ZQVIIXFXQRKCMZ-XMMPIXPASA-N 498.564 5.277 50 10 JKGE N#CC(=CNc1ccc([N+](=O)[O-])cc1)c1nc(-c2cc3c(ccc4ccccc43)oc2=O)cs1 2297624291 DGQUIZCKFIKHIN-UHFFFAOYSA-N 466.478 5.954 50 10 JKGE FC1(F)C[C@]12C[C@@H]2[C@@H](Br)c1ccc(OCc2ccccc2)cc1Br 2299487924 BBAWGOPAKNKWLD-NJAFHUGGSA-N 458.140 6.509 50 10 JKGE FC1(F)CC2(C[C@@H]2[C@H](Br)c2sc(Cl)cc2I)C1 2301081676 RECHJYXAYMQPAI-XRGYYRRGSA-N 453.517 5.878 50 10 JKGE COc1c(Br)cc(C)c([C@H](Br)[C@@H]2C[C@H]2Br)c1Br 2301492407 OQHBYSCRJBAUDO-BRDIYROLSA-N 491.843 5.748 50 10 JKGE CCC[C@@H](CC(C)C)[C@@H](Br)c1cc(Br)ccc1OCc1ccccc1 2314451149 CCMMUKMHCFCDSM-PGRDOPGGSA-N 468.273 7.927 50 10 JKGE C[C@H]1OC2(C)CC1([C@H](Br)c1ccc(OCc3ccccc3)cc1Br)C2 2314463553 ZLBJZTXWVSNGRA-VMVSDCNISA-N 466.213 6.422 50 10 JKGE CCCCOc1cc(C=C(C#N)c2nc(-c3cc4ccccc4oc3=O)cs2)ccc1OC 2314570981 AFTZMDPMDVGABO-UHFFFAOYSA-N 458.539 6.168 50 10 JKGE N#CC1=C(N)Oc2cc(OC(=O)C=Cc3ccc(Cl)cc3Cl)ccc2[C@H]1c1cccc(F)c1 2314634424 QWMZJQJKWYOESS-XMMPIXPASA-N 481.310 5.969 50 10 JKGE COc1cc(C=C(C#N)C(=O)NCCc2ccccc2)cc(Br)c1OCc1ccccc1 2314739686 HTMHGDPXBUPPSE-UHFFFAOYSA-N 491.385 5.303 50 10 JKGE COCc1ccc([C@H](Cl)c2cc(Br)ccc2I)s1 2315094777 GWGXBZXYVXHVFH-CYBMUJFWSA-N 457.558 5.590 50 10 JKGE CCc1ccc(NC=C(C#N)C(=O)N2CCN(C(c3ccccc3)c3ccccc3)CC2)cc1 2324605333 JXLOZVWUVOESIH-UHFFFAOYSA-N 450.586 5.002 50 10 JKGE N#CC(=C(O)c1ccccc1I)c1nc(-c2ccc3c(c2)CCCC3)cs1 2331241493 QMOACIPTRRWRRS-UHFFFAOYSA-N 484.362 6.243 50 10 JKGE CCCOc1ccc(-c2csc(C(C#N)=C(O)CCCCCNC(=O)c3ccccc3)n2)cc1 2331318585 DAJYAVYEZJFCDJ-UHFFFAOYSA-N 475.614 6.382 50 10 JKGE CCOC(=O)c1ccc(N2C[C@H](C(O)=C(C#N)c3nc(-c4cc(C)ccc4C)cs3)CC2=O)cc1 2331319545 HWFMZJBLXONSCZ-LJQANCHMSA-N 487.581 5.449 50 10 JKGE Cc1ccc(-c2csc(C(C#N)=C(O)[C@H](CC(C)C)N3C(=O)c4ccccc4C3=O)n2)cc1C 2331382566 GXCGRXLAQHIYMT-QHCPKHFHSA-N 471.582 5.931 50 10 JKGE CCOc1ccc(-c2csc(C(C#N)=C(O)COc3ccc(Cl)cc3Cl)n2)c(OCC)c1 2331389032 JMQLJVNHXRTNCC-UHFFFAOYSA-N 491.396 6.786 50 10 JKGE CCOc1cc(Br)c([C@@H](Br)[C@@H]2C[C@@H]2Br)cc1OCC 2332464704 SYSITFXDWXJCER-YACGNSKGSA-N 457.000 5.466 50 10 JKGE Cn1c([C@H](Br)c2c(F)cc(Cl)c(Br)c2Cl)cnc1Cl 2335303078 VIRYXUVKHKYAPH-VIFPVBQESA-N 451.348 5.766 50 10 JKGE CC[C@@](C)(C(F)F)[C@@H](Br)c1c(Cl)cc(Br)c(F)c1Br 2337089014 SUEPSPNXVQVCAL-CMPLNLGQSA-N 487.379 7.122 50 10 JKGE CC[C@@H](CC(C)C)[C@H](Br)c1c(Cl)cc(Br)c(F)c1Br 2337094904 UJSVUIAINIQSTO-UFBFGSQYSA-N 479.453 7.512 50 10 JKGE Clc1cc(I)c([C@H](Br)[C@@H]2CCC[C@@H]3CCCC[C@@H]32)s1 2338776634 URKKPOAPGAZHPX-KZWBYHQPSA-N 473.645 7.049 50 10 JKGE Cc1cc(Br)c(F)c(Br)c1[C@H](Br)[C@H]1CCOC[C@H]1C 2339673407 ALKHYYPJGNXMKZ-VDDIYKPWSA-N 458.991 5.768 50 10 JKGE Brc1cc(CN2C[C@H](Br)CCC23CCC3)ccc1I 2349831574 SSQFXUNUROETPG-GFCCVEGCSA-N 499.028 5.336 50 10 JKGE CCc1nnsc1CC(CBr)(CBr)c1ccc(Br)cc1 2361024713 YOIVYRQARPVDFD-UHFFFAOYSA-N 483.067 5.133 50 10 JKGE Cc1ccc([C@H](Br)c2c(C)cc(Br)c(F)c2Br)c(F)c1 2365179681 PKLUJZMWEISCIB-ZDUSSCGKSA-N 468.961 6.591 50 10 JKGE CCC12COC([C@H](Br)c3c(C)cc(Br)c(F)c3Br)(C1)C2 2365194183 OUDISZNNUUPQPE-WLYUNCDWSA-N 471.002 6.054 50 10 JKGE CCCCCCCC[C@H](Br)c1c(C)cc(Br)c(F)c1Br 2365216922 ZIZQOXNHRFBDOP-LBPRGKRZSA-N 473.062 7.846 50 10 JKGE CC[C@@](C)(C(F)F)[C@H](Br)c1c(C)cc(Br)c(OC)c1Br 2365219782 SAAZERWYHSSASI-TZMCWYRMSA-N 478.997 6.646 50 10 JKGE CN(Cc1c(Br)cccc1Br)c1ncc(Br)c(CCl)n1 2366161087 NGCPBGPNDCOILF-UHFFFAOYSA-N 484.417 5.139 50 10 JKGE CCOc1ccc(-c2c(C)sc(NC(=O)/C(C#N)=C/c3ccccc3OC)c2C(=O)OC)cc1 1974914 NCZMPANHHZMBCO-XMHGGMMESA-N 476.554 5.463 50 10 JKGE CC(C)(C)N(NC(=O)c1ccc2nc(Cl)sc2c1)C(=O)c1cc(Cl)cc(Cl)c1 14984371 CPVYEPYCNVJEPP-UHFFFAOYSA-N 456.782 5.842 50 10 JKGE N#C/C(=C/c1cccc(OC(=O)c2ccc(S(=O)(=O)N3CCCCC3)cc2)c1)c1ccccc1F 31902815 CAVOQEBOZDGDGQ-XLNRJJMWSA-N 490.556 5.284 50 10 JKGE CCCOc1ccc(/C=C(/C#N)C(=O)Nc2sc3c(c2C(=O)OCC)CC[C@H](C(C)(C)C)C3)cc1 33596174 YRBTXVKNGQFFMQ-YKRMCXMESA-N 494.657 6.410 50 10 JKGE COc1ccc(C(=O)Oc2ccccc2/C=C(/C#N)C(=O)Nc2cc([N+](=O)[O-])ccc2Cl)cc1 33709270 QKCWLCRMEGTZOU-ATVHPVEESA-N 477.860 5.022 50 10 JKGE CN(C)c1ccc(NC(=O)CCCCl)cc1CN(Cc1ccco1)C(=O)c1cccs1 34921541 KNDFOAWXVXVILH-UHFFFAOYSA-N 459.999 5.207 50 10 JKGE Cc1c(C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@@H]3c2c(F)cccc2Cl)oc2ccc(F)cc12 38700602 ZIZWKBVGCHFDCN-JOCHJYFZSA-N 492.865 6.110 50 10 JKGE Cc1cc(C)cc(Oc2nc3c(C)cccn3c(=O)c2/C=C(/C#N)C(=O)Nc2ccc(Cl)cc2)c1 39858775 IBWSWSFRGMAHSI-RGEXLXHISA-N 484.943 5.611 50 10 JKGE Cc1cc(Cl)ccc1NC(=O)c1oc2c(c1C)/C(=N/NC(=O)c1ccc([N+](=O)[O-])cc1)CCC2 40812188 AVAPEAALAAFXPS-ZXVVBBHZSA-N 480.908 5.181 50 10 JKGE Cc1c(C(=O)Nc2ccccc2C(F)(F)F)oc2c1/C(=N/NC(=O)c1ccccc1O)CCC2 40826381 OPYGSRNQETTWAT-STBIYBPSSA-N 471.435 5.035 50 10 JKGE COc1cc(/C=N/NC(=O)COc2ccccc2-c2ccccc2)ccc1OCc1ccccc1 40911086 XMXRXEQVYQUVNC-NDZAJKAJSA-N 466.537 5.470 50 10 JKGE CCOC(=O)/C(C#N)=C/c1cccc(OC(=O)COc2cc(C)c(Cl)c(C)c2Br)c1 40944717 PWOGQDLHTOBCOI-CXUHLZMHSA-N 492.753 5.174 50 10 JKGE COc1ccc(SCC(=O)N/N=C/c2c(Br)c(C)n(-c3ccccc3)c2C)cc1 59104832 HSTPZAYVUYYJNM-ZMOGYAJESA-N 472.408 5.108 50 10 JKGE C/C(=N/NC(=O)c1ccc(COc2cc(C)ccc2C(C)C)cc1)c1ccc2c(c1)OCCCO2 59531563 JYJRGAZIUDJCPV-OFWBYEQRSA-N 472.585 6.013 50 10 JKGE COc1cccc(/C=C(\C#N)C(=O)N[C@@H](C)c2ccccc2)c1OCc1c(F)cccc1Cl 96438658 SNQOODNORRWWLJ-TYSUYXETSA-N 464.924 5.851 50 10 JKGE COc1ccc([C@@H](C(=O)NC2CCCCCC2)N(Cc2ccccc2Cl)C(=O)CCl)cc1 97915012 HQDNPQVILLWTKY-DEOSSOPVSA-N 477.432 5.496 50 10 JKGE N#C/C(=C/c1nc(-c2cc3cc(Cl)ccc3oc2=O)cs1)c1ccc(Cl)c(Cl)c1 102405634 SYRCGAUFQYRVTK-JYRVWZFOSA-N 459.741 6.941 50 10 JKGE COc1cc(Br)c(O[C@H]2C[C@@H](Br)C23CCCCC3)cc1Br 118819485 LSKXMJVGHVUFKN-CABCVRRESA-N 483.038 6.085 50 10 JKGE Cl[C@H](c1cccc(I)c1)c1cc(Br)c(Br)s1 128104695 UDIQTESFEMRNKQ-SNVBAGLBSA-N 492.401 6.206 50 10 JKGE COc1cc(/C=C(/C#N)C(=O)NCc2ccccc2)ccc1OC(=O)COc1ccc(C(C)C)c(C)c1 206399503 FUNIBZQSPWPLHR-IWIPYMOSSA-N 498.579 5.335 50 10 JKGE CC[C@@H](C)c1ccccc1N/C=C(/C#N)C(=O)Nc1ccc(I)cc1C 217254313 CDUMEYXACFTOPU-UMWKZLPKSA-N 459.331 5.571 50 10 JKGE Cc1cc(I)ccc1NC(=O)/C(C#N)=C\Nc1ccc(C(F)(F)F)cc1 217254331 NRMPPVFFVXTUSB-BENRWUELSA-N 471.220 5.077 50 10 JKGE COc1cc(C)c(Br)cc1[C@H](Cl)c1ccc(Br)cc1Br 234807254 RDWATGIKSRJQPV-OAHLLOKOSA-N 483.425 6.619 50 10 JKGE Cc1ccc(COc2c(Br)cc(CBr)cc2Br)c(Cl)c1 235910119 WPFUVXFAAPFZJL-UHFFFAOYSA-N 483.425 6.647 50 10 JKGE Clc1ccc([C@@H](Br)c2ccc(Br)cc2Br)c(Cl)c1 236062420 RSIFWJZMYMGVGN-ZDUSSCGKSA-N 473.817 7.003 50 10 JKGE Fc1ccc([C@H](Br)c2cc(Cl)ccc2Cl)c(I)c1 236246244 AASUKHMXPKLPSR-ZDUSSCGKSA-N 459.911 6.221 50 10 JKGE CCc1ccc(NC(=O)C(=O)NN=Cc2c(OC(=O)c3cccc(C)c3)ccc3ccccc23)cc1 254294950 RIYHKLWAPXCVPS-UHFFFAOYSA-N 479.536 5.019 50 10 JKGE CC(=NNC(=O)c1csc(-n2nc(-c3ccccc3)cc2C(F)(F)F)n1)c1ccc(F)cc1 254683592 XLUAYCSTYDMICJ-UHFFFAOYSA-N 473.455 5.308 50 10 JKGE CCCCCCCCCCCC(=O)NN=Cc1ccc(OC(=O)c2cccc3ccccc23)cc1 254877300 QIKOJQSXXGQKCK-UHFFFAOYSA-N 472.629 7.430 50 10 JKGE C=C(C)c1cccc(C(C)(C)NC(=O)NN=Cc2ccc(OCc3ccccc3)c(OC)c2)c1 256017180 ZJMWTXXEXYXWCF-UHFFFAOYSA-N 457.574 5.876 50 10 JKGE 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 257512256 PIOYBULRRJNPSG-CXFKMXFESA-N 454.695 6.837 50 10 JKGE endogenous,in-man C[C@@H](Cl)c1nc2cc(I)c(F)cc2n1[C@H]1CCN(Cc2ccccc2)C1 311648536 SYJVQIMVYLZDCM-HIFRSBDPSA-N 483.756 5.527 50 10 JKGE ClCCc1nc2c(Br)cccc2n1-c1ccccc1I 312979913 WJUYMQAYYAUSHX-UHFFFAOYSA-N 461.528 5.174 50 10 JKGE Clc1cc([C@H](Br)c2cc(I)cc3c2OCC3)cs1 385970212 MHGMDMOLHWMERZ-LBPRGKRZSA-N 455.542 5.425 50 10 JKGE Cc1cc(Oc2cc(Br)ccc2CBr)c(C)c(C)c1Br 394278331 ZMSKTFDZDBGPLS-UHFFFAOYSA-N 463.007 6.824 50 10 JKGE C[C@@H]1CN(Cc2ccccc2)CCN(c2cccc(Br)c2CBr)C1 394817537 WEPDKPGQIOSBKW-MRXNPFEDSA-N 452.234 5.302 50 10 JKGE CC(C)(C)OC(=O)NCCN1CCCC[C@@H](c2ccc(CO[Si](C)(C)C(C)(C)C)cc2)C1 616604972 IBDAUTUGVZUBIW-HSZRJFAPSA-N 462.751 6.303 50 10 JKGE CN(C(=O)OC(C)(C)C)c1ccc([C@H]2CCOCCN2CCO[Si](C)(C)C(C)(C)C)cc1 616655582 GSUWANWPBVRTMJ-JOCHJYFZSA-N 464.723 5.843 50 10 JKGE C[C@@H](Br)[C@H]1CCCCN1C(=O)c1cc(Br)c(Br)s1 688853190 UBDZZZPUSYCMLN-VXNVDRBHSA-N 460.029 5.051 50 10 JKGE FC(F)(F)C(F)(F)C[C@@H](Br)c1cc(Br)ccc1Br 713277808 PITFFAISMIZNDK-MRVPVSSYSA-N 460.860 6.235 50 10 JKGE O=C(c1cc(Br)sc1Br)N1CC[C@H]2CC[C@@H](Br)[C@H]1C2 721590272 UPICBLNXVSEEJJ-SZEHBUNVSA-N 472.040 5.051 50 10 JKGE Fc1cc(COc2ccc(Br)c(CBr)c2)ccc1Br 721977828 DHCBACNBUXDYID-UHFFFAOYSA-N 452.943 5.825 50 10 JKGE COc1cc(C=NNC(=O)CSc2nc3ccccc3[nH]2)ccc1OCc1ccccc1Cl 725445568 RQWASDNLRASJLR-UHFFFAOYSA-N 480.977 5.046 50 10 JKGE COc1cc(/C=C\C(=O)Cl)cc(Br)c1OCc1ccc(Cl)c(Cl)c1 1081475861 AMNBWBOUVBSQDQ-HYXAFXHYSA-N 450.543 6.122 50 10 JKGE Cc1cc(C=NNC(=O)C(=O)Nc2ccc(Cl)c(C(F)(F)F)c2)c(C)n1-c1cccc(Cl)c1 1083939915 OLAAHHQDZGMXCE-UHFFFAOYSA-N 497.304 5.509 50 10 JKGE CCc1ccccc1NC(=O)/C(C#N)=C/c1ccc(OCc2cccc(C(=O)O)c2)c(OC)c1 1084055721 AHVCQSNEERSQCV-LPYMAVHISA-N 456.498 5.080 50 10 JKGE N#C/C(=C\c1ccc(OCc2cccc([N+](=O)[O-])c2)cc1)C(=O)Nc1cccc(Cl)c1Cl 1084301064 LIUNICMGOWULPN-GZTJUZNOSA-N 468.296 6.026 50 10 JKGE Cc1ccc(C)c(-n2c(C)cc(C=NNC(=O)C(=O)Nc3ccc(Cl)c(C(F)(F)F)c3)c2C)c1 1084325596 VDEYZNWJNMRJQB-UHFFFAOYSA-N 490.913 5.472 50 10 JKGE N#C/C(=C/c1cc(Cl)ccc1OCc1ccc(Cl)cc1Cl)C(=O)Nc1ccccc1Cl 1084391399 ARWXMWFZNKQEEJ-SXGWCWSVSA-N 492.189 7.425 50 10 JKGE Cc1cc(C=NNC(=O)c2cc3cc(Br)ccc3o2)c(C)n1-c1ccc(F)cc1 1084458427 UISZNLRGQJTEFF-UHFFFAOYSA-N 454.299 5.506 50 10 JKGE Cc1cccc(NC(=O)c2oc3c(c2C)C(=NNC(=O)C(c2ccccc2)c2ccccc2)CCC3)n1 1772749564 VZAKJBVCGJJXKP-UHFFFAOYSA-N 492.579 5.532 50 10 JKGE CC(C)c1ccc([C@H]2C(C#N)=C(N)Oc3c2c(C(F)(F)F)nn3-c2ccc(Cl)c(Cl)c2)cc1 1865685690 LLBHNYDSMMLYBP-SFHVURJKSA-N 493.316 6.539 50 10 JKGE CCn1nc(C)c2c1OC(N)=C(C#N)[C@H]2c1ccc(OCc2c(Cl)cccc2Cl)c(OC)c1 1865689224 MXMWZQKLRNOSDK-JOCHJYFZSA-N 485.371 5.324 50 10 JKGE Cc1ccccc1COc1ccc([C@@H]2C(C#N)=C(N)Oc3c2c(C)nn3Cc2ccccc2F)cc1 1865703196 POMGJXJQQWHPMV-HHHXNRCGSA-N 480.543 5.485 50 10 JKGE Cc1ccc(C)c(Cn2nc(C)c3c2OC(N)=C(C#N)[C@@H]3c2cccc(OCc3ccccc3)c2)c1 1865711607 CJBBWKBCSBNSER-NDEPHWFRSA-N 476.580 5.654 50 10 JKGE CCOC(=O)c1c(-c2ccc(CC)cc2)csc1NC(=O)/C(C#N)=C/c1ccc(OC)c(OC)c1 1866130268 LCLFQFGXZDAKKR-DEDYPNTBSA-N 490.581 5.717 50 10 JKGE CCCCCCOC(=O)c1ccc(NC(=O)/C(C#N)=C/c2cccc(Br)c2)cc1 1866131908 STWIWNPTIZEXBB-XMHGGMMESA-N 455.352 5.732 50 10 JKGE Cc1cc(OCc2ccc(CCl)cc2)cc2c1C(=O)/C(=C/c1cccc(Br)c1)O2 1871436809 QXTHGYZGPGDZIK-JJFYIABZSA-N 469.762 6.692 50 10 JKGE CCN(CC)c1ccc(/C=C2\Oc3c(ccc(OCc4cccc(CCl)c4)c3C)C2=O)cc1 1871437260 ONBCEIHBNVTMCM-QQXSKIMKSA-N 461.989 6.775 50 10 JKGE COc1cccc(-c2csc(/C(C#N)=C(\O)COc3ccc(OC)cc3C(C)(C)C)n2)c1 1872744411 QNOGOLYBEHUGRJ-QOCHGBHMSA-N 450.560 5.996 50 10 JKGE COc1ccccc1-c1csc(/C(C#N)=C(\O)c2ccc3c(c2)C(=O)N(c2ccc(F)cc2)C3=O)n1 1872747345 YHZOBTPVYXZYFN-FLFQWRMESA-N 497.507 5.708 50 10 JKGE N#C/C(=C(/O)c1ccc2c(c1)C(=O)N(Cc1ccccc1)C2=O)c1nc(-c2cccs2)cs1 1872750903 SZTVHBFLKZQFRQ-QOCHGBHMSA-N 469.547 5.618 50 10 JKGE CC[C@H](C)[C@@H](/C(O)=C(\C#N)c1nc(-c2ccc(C(C)C)cc2)cs1)N1C(=O)c2ccccc2C1=O 1872751919 HKXUIWHATIJYPK-QVJTWOOLSA-N 485.609 6.437 50 10 JKGE CCCCCCCOc1ccc(-c2csc(/C(C#N)=C(O)/C=C/c3cccc([N+](=O)[O-])c3)n2)cc1 1872753305 QLVUCYGHYNSUNI-ZSOVKXEESA-N 489.597 7.574 50 10 JKGE COc1ccc(OCCC/C(O)=C(\C#N)c2nc(-c3cc(Cl)ccc3Cl)cs2)cc1 1872758474 BSRGBRSMFRDEKU-UZYVYHOESA-N 461.370 6.777 50 10 JKGE COc1ccc(-c2csc(/C(C#N)=C(\O)Cc3ccc(Br)cc3)n2)c2ccccc12 1872758732 NYVSRIPMYWNCGJ-XDOYNYLZSA-N 477.383 6.770 50 10 JKGE Brc1cc2c(cc1[C@@H](Br)C1CC(Br)C1)OCCCO2 1887735331 CUCSNEXCHBNIEW-CTCYHXBNSA-N 454.984 5.220 50 10 JKGE C[C@@H](Cl)c1nc2cc(I)ccc2n1CC1CC(Br)C1 1887928453 LIICHCVNOUSBHZ-XNWIYYODSA-N 453.549 5.114 50 10 JKGE CN(CCN(Cc1ccccc1)CC(C)(C)CI)Cc1ccccc1 1893382595 PJXJNOILYHBSBF-UHFFFAOYSA-N 450.408 5.082 50 10 JKGE CC(C)[C@@H](CBr)N(CCOc1cccc(Br)c1)Cc1ccccc1 1915267540 DYSOCIQYURMNFB-HXUWFJFHSA-N 455.234 5.750 50 10 JKGE O=C(c1csc(Br)c1Br)N1CC[C@@]2(CCC[C@@H]2Br)C1 1918946289 HVAZUSAFIODWLK-ZANVPECISA-N 472.040 5.053 50 10 JKGE Cc1cc2c(nc(CCl)n2CC2(N(Cc3ccccc3)Cc3ccccc3)COC2)c(C)n1 1921380455 JTXXMTJFUZZCMP-UHFFFAOYSA-N 461.009 5.258 50 10 JKGE Cc1c(Br)sc([C@H](Br)c2cscc2Cl)c1Br 1922913503 XETUJLPRBATWMI-MRVPVSSYSA-N 465.457 6.781 50 10 JKGE CC(C)CC[C@@H](Br)c1c(Br)sc(Br)c1Br 1924575587 CFTBARTZIFLLFL-ZCFIWIBFSA-N 483.889 6.908 50 10 JKGE C[C@@H]1C[C@@H]1[C@@H]1C[C@H]1[C@H](Cl)c1c(Br)sc(Br)c1Br 1924613602 SDSNJQDPVBPIOZ-LJBZBAAHSA-N 463.460 6.608 50 10 JKGE CC(C)(C)c1cccc([C@@H](Br)c2c(Cl)sc(Br)c2Cl)c1 1925615879 CHGPBDMRNPOOGA-LLVKDONJSA-N 457.058 7.599 50 10 JKGE CCc1sc(Br)cc1[C@H](Br)c1cc(C)c(Br)s1 1943033658 NPYIKNRICNNDBN-NSHDSACASA-N 459.066 6.690 50 10 JKGE Cc1cc(S(=O)(=O)N(CCN(C)Cc2ccccc2)Cc2ccccc2)ccc1CCl 1946826142 FCVHOWMJPLWITG-UHFFFAOYSA-N 457.039 5.057 50 10 JKGE Cc1cc(Br)sc1[C@H](Cl)c1c(Br)cccc1Br 1950214838 KLKDWJVTKZYTLI-LLVKDONJSA-N 459.428 6.672 50 10 JKGE C[C@@](CCCC[C@@H]1CCSS1)(CC(=O)O)NC(=O)OCC1c2ccccc2-c2ccccc21 1951854680 KESJILGVBRRZKV-WXTAPIANSA-N 485.671 6.473 50 10 JKGE Cc1c(Br)sc([C@H](Br)C2(Br)CCC2)c1Br 1960899291 GRYJDSCABKZQDT-QMMMGPOBSA-N 481.873 6.335 50 10 JKGE C[C@H](Br)[C@H]1CCCCN1C(=O)c1csc(Br)c1Br 2032958416 CXEROGUVYITCFU-IONNQARKSA-N 460.029 5.051 50 10 JKGE CCOc1ccc([C@@H](Br)c2cscc2OCc2ccccc2)c(Br)c1 2038686562 QAUBOCSMSMDGII-HXUWFJFHSA-N 482.237 6.973 50 10 JKGE CCc1cc(Br)c([C@H](Br)c2c(Br)sc(C)c2C)s1 2039504150 WBAHWSCWDUBVAE-LLVKDONJSA-N 473.093 6.998 50 10 JKGE CC(C)(C)OC(=O)NCCSSCCN[C@H]1CN(Cc2ccccc2)C2(CCCCC2)C1 2061262296 MLXXFPNZYCOCMO-JOCHJYFZSA-N 479.756 5.460 50 10 JKGE Clc1c(Br)ccc(CBr)c1N1C[C@H]2C[C@@H](C1)N(Cc1ccccc1)C2 2067537159 FOQMGLUPHFAKNY-RDJZCZTQSA-N 484.663 5.708 50 10 JKGE COCc1cccc([C@@H](Br)c2sc(Br)cc2Br)c1 2071275826 DNTWKFLCFXXTBA-GFCCVEGCSA-N 455.009 5.904 50 10 JKGE CCN(C[C@](C)(CBr)OCc1cc(Cl)cc(Cl)c1)C(=O)OC(C)(C)C 2077242280 DZUYLGDNVXEUDJ-SFHVURJKSA-N 455.220 5.921 50 10 JKGE Clc1cccc(Br)c1[C@@H](Cl)c1ccc(Br)cc1Br 2083318338 OOXHVVIMJZJJEZ-ZDUSSCGKSA-N 473.817 6.956 50 10 JKGE Cc1c(Br)ccc([C@H](Cl)c2nn(C)cc2Br)c1Br 2083332380 IRDXYFXXPSALFG-NSHDSACASA-N 457.391 5.344 50 10 JKGE Fc1cc(Cl)c([C@H](Br)c2csc(Br)c2Br)cc1Cl 2083781584 XIYWRQLTCDBOLA-VIFPVBQESA-N 497.836 7.203 50 10 JKGE CP(C)(=O)CCC(CBr)(CBr)c1ccccc1Br 2084166857 VARHPJLJZVWJTP-UHFFFAOYSA-N 460.972 5.490 50 10 JKGE Fc1cc2c(cc1I)nc(CCl)n2C1CC(COCc2ccccc2)C1 2092627051 LLFGJSZVAQKBJX-UHFFFAOYSA-N 484.740 5.687 50 10 JKGE Fc1cccc([C@H](Cl)c2cc(C3CC3)c(Br)s2)c1I 2094665899 LZHKOSLCGCXJBL-LBPRGKRZSA-N 471.560 6.460 50 10 JKGE Fc1c(C[C@H](Br)c2ccc(Br)cc2)ccc(Br)c1Cl 2113492299 ZGPKRECLKWTHTC-LBPRGKRZSA-N 471.389 6.683 50 10 JKGE FC(F)(F)C1([C@@H](Cl)c2c(Br)sc(Br)c2Cl)CCCC1 2116577949 BLYSYBJURWEMMF-ZETCQYMHSA-N 460.968 7.329 50 10 JKGE BrC[C@H]1CCC2(CC2)CN1Cc1cc(Br)ccc1Br 2118529541 CYGMUQKKASJETQ-CYBMUJFWSA-N 452.028 5.351 50 10 JKGE COc1cc([C@H](Br)c2ccc(Br)cc2Br)ccc1F 2138855457 XCKTYRBKGYHLOZ-AWEZNQCLSA-N 452.943 5.844 50 10 JKGE Clc1sc([C@@H](Br)c2ccc(-c3cccs3)s2)cc1Br 2140977289 XXMFMAUIPYXRAC-LBPRGKRZSA-N 454.661 7.438 50 10 JKGE COc1c(C)cc(Br)cc1[C@@H](Br)c1cc(Br)sc1C 2141640071 QAQULPNLCJIKTC-ZDUSSCGKSA-N 469.036 6.383 50 10 JKGE Fc1cc(F)c(F)c([C@H](Br)Cc2ccccc2I)c1F 2143868170 LPYNSKIQLPKERY-MRVPVSSYSA-N 459.018 5.526 50 10 JKGE C[C@H]1Cc2cc([C@@H](Br)c3ccc(Br)cc3)cc(Br)c2O1 2146630340 WEZJSBMTHMSQPK-VFZGTOFNSA-N 460.991 6.019 50 10 JKGE CCOc1ccc(Br)cc1[C@@H](Br)c1c(Br)sc(C)c1C 2157253392 ZAPPDOYGFCLEKS-CQSZACIVSA-N 483.063 6.773 50 10 JKGE Cc1sc(Br)c(C)c1[C@H](Cl)c1cc(Cl)ccc1I 2218805506 LIOJMCRHMMLNPG-GFCCVEGCSA-N 476.004 6.714 50 10 JKGE Cc1sc([C@H](Br)Cc2ccc(Br)cc2Cl)cc1Br 2221698878 BKSSAWSVJLVLCO-LLVKDONJSA-N 473.455 6.914 50 10 JKGE Cc1sc([C@@H](Br)c2c(C)sc(Br)c2C)c(Br)c1C 2221833167 ARYAWYJYEXLNSC-NSHDSACASA-N 473.093 7.053 50 10 JKGE Clc1cc(Cl)cc(C[C@@H](Br)c2cc(Br)ccc2Br)c1 2232161962 MJVAKQGRBUFCAO-CQSZACIVSA-N 487.844 7.197 50 10 JKGE Cc1cc(Br)c([C@H](Cl)c2cccc(F)c2Br)c(C)c1Br 2235603980 LRVDAHKPEJTOCR-OAHLLOKOSA-N 485.416 7.058 50 10 JKGE Cc1cc(Br)c([C@@H](Br)[C@H]2CCCC3(CC3)C2)c(C)c1Br 2235613591 ZCTOQWXXFULVGM-LRDDRELGSA-N 465.067 7.235 50 10 JKGE O=C(c1cc(Br)c(Br)s1)N1C[C@@H](Br)CC12CCCCC2 2241040056 OHZSMYOWWIHKJI-VIFPVBQESA-N 486.067 5.585 50 10 JKGE CC[C@@H](Br)CN(Cc1ccccc1)C(=O)c1cc(Br)cc(C(C)C)c1 2254750746 MNBHVASSMWEVRH-LJQANCHMSA-N 467.245 6.388 50 10 JKGE Cc1c(Br)ccc([C@H](Br)C[C@H]2CCCCC23CC3)c1Br 2279688410 NJMUYZCMOGLTCY-IUODEOHRSA-N 465.067 7.317 50 10 JKGE COc1cc(Br)c(C)cc1[C@H](Br)c1cccc(Cl)c1Br 2283189372 RKBDJKHWPSHMRA-CQSZACIVSA-N 483.425 6.666 50 10 JKGE COc1ccc([C@H](Br)c2cc(Br)ccc2C)c(Br)c1Cl 2283564859 WFBUEVSVNRPLFB-ZDUSSCGKSA-N 483.425 6.666 50 10 JKGE Cc1cc(F)c(Br)cc1[C@H](Cl)c1ccc(Br)c(C)c1Br 2285983062 AYVAZQTYXXHJEP-OAHLLOKOSA-N 485.416 7.058 50 10 JKGE N#CC(=Cc1ccc(OCC(=O)Nc2ccc(F)cc2)c(Br)c1)c1ccc([N+](=O)[O-])cc1 2294244507 RDAVSZJAADBRLX-UHFFFAOYSA-N 496.292 5.578 50 10 JKGE Clc1cc(Cl)cc(C[C@@H](Br)c2cc3sc(Br)cc3s2)c1 2295413903 JVTKDOGICXKHRY-SNVBAGLBSA-N 471.066 7.711 50 10 JKGE CCCCCOc1ccc(C=C(C#N)C(=O)Nc2sc3c(c2C(=O)OC)CCCC3)cc1OC 2296500452 QLTMYWGVFGDGGG-UHFFFAOYSA-N 482.602 5.537 50 10 JKGE CCOC(=O)c1c(NC=C(C#N)c2nc(-c3ccc(Cl)c(Cl)c3)cs2)sc(C)c1C 2296789936 CJHQRKMPNKUXNN-UHFFFAOYSA-N 478.426 6.949 50 10 JKGE N#CC(=Cc1ccc(-c2cccc(C(F)(F)F)c2)o1)C(=O)Nc1sc2c(c1C(N)=O)CCCC2 2296832316 RVLIHGGNQPIWAC-UHFFFAOYSA-N 485.487 5.550 50 10 JKGE Cc1ccc(Cl)cc1NC(SCc1ccccc1F)=C(C#N)S(=O)(=O)c1ccccc1 2297350021 MYKMNMTVGMKAKD-UHFFFAOYSA-N 472.994 6.299 50 10 JKGE N#CC(=Cc1cccc(OCc2cccc3ccccc23)c1)C(=O)Nc1ccc([N+](=O)[O-])cc1Cl 2297551637 WDZNSCDCHCSCHK-UHFFFAOYSA-N 483.911 6.526 50 10 JKGE Brc1ccc(OCc2ccccc2)c([C@@H](Br)C23COCC(C2)C3)c1 2299495693 RIONPQFNBZJDGG-KHPNHKCMSA-N 452.186 5.891 50 10 JKGE Brc1cc(OCc2ccccc2)ccc1[C@H](Br)[C@@H]1C[C@H]2CCC[C@@H]21 2299511362 VIJIZKRHLLQMLH-GRVMKYMCSA-N 450.214 6.900 50 10 JKGE CC(C)[C@@H](CCl)N(Cc1ccccc1)C(=O)c1ccc(Cl)cc1I 2301794856 BMHXAQACOMFISI-GOSISDBHSA-N 476.185 5.850 50 10 JKGE COc1cc(C=C(C#N)C(=O)Nc2ccc(C)c(C)c2)ccc1OCc1ccc(Br)cc1 2313511297 YSYMCLMTFVFHDL-UHFFFAOYSA-N 491.385 6.199 50 10 JKGE N#CC(=Cc1cc(Br)ccc1OCc1ccccc1Cl)c1ccc([N+](=O)[O-])cc1 2313540957 GAFZALSUXASILX-UHFFFAOYSA-N 469.722 6.654 50 10 JKGE Cc1ccc(C)c(NC(=O)C(C#N)=Cc2cc(Cl)ccc2OCc2ccc(Cl)cc2)c1 2313667004 BEPAWPFRJVIQIB-UHFFFAOYSA-N 451.353 6.735 50 10 JKGE COc1cc(C=C(C#N)C(=O)Nc2cc([N+](=O)[O-])ccc2Cl)ccc1OCc1cccc(Cl)c1 2313681102 ICKXGPWMNQPLEX-UHFFFAOYSA-N 498.322 6.035 50 10 JKGE CC1(C)C(C)(C)C1(C)[C@@H](Br)c1cc(Br)ccc1OCc1ccccc1 2314496742 DVKDAYKFAILJSI-IBGZPJMESA-N 466.257 7.536 50 10 JKGE CCOc1ccc(N2C(=O)[C@H](Cc3cccc(C)c3)SC2=C(C#N)C(=O)Nc2ccccc2)cc1 2314592550 XHACPIZWCUTCEJ-VWLOTQADSA-N 483.593 5.459 50 10 JKGE CCc1ccc(N2C(=O)[C@H](Cc3ccccc3C)SC2=C(C#N)C(=O)N[C@H](C)c2ccccc2)cc1 2314593455 NCEQSRYKWZKHLE-ZBLYBZFDSA-N 495.648 5.861 50 10 JKGE CCCCOc1ccc(C=C(C#N)C(=O)Nc2sc3c(c2C(=O)OC)CC[C@H](C)C3)cc1 2314735660 XOUXNJZACIHUJI-INIZCTEOSA-N 452.576 5.384 50 10 JKGE CC(C)(C)OC(=O)N1C[C@H](Br)[C@H](OCCCc2cc(Cl)cc(Cl)c2)C1 2318688663 UZSCDMICCCOHPP-JKSUJKDBSA-N 453.204 5.325 50 10 JKGE O=C(c1csc(Br)c1Br)N1CC[C@H]2CC[C@H](Br)[C@@H]1C2 2330966555 JWAOHPQTQVWFTL-JEZHCXPESA-N 472.040 5.051 50 10 JKGE N#CC(=C(O)CCCOc1ccc2ccccc2c1)c1nc(-c2cccc([N+](=O)[O-])c2)cs1 2331235145 VSLWTOMFOHLOCU-UHFFFAOYSA-N 457.511 6.523 50 10 JKGE N#CC(=C(O)c1ccc(Cl)c([N+](=O)[O-])c1)c1nc(-c2cccc(Br)c2)cs1 2331279194 UQASWBFMOMHYDY-UHFFFAOYSA-N 462.712 6.084 50 10 JKGE CCCOc1ccc(-c2csc(C(C#N)=C(O)COc3ccc(Cl)c(C)c3)n2)cc1OCCC 2331293368 BFPYKAVZSWXWKG-UHFFFAOYSA-N 499.032 7.221 50 10 JKGE COc1ccc(-c2csc(C(C#N)=C(O)c3c(Cl)ccc(Cl)c3OC)n2)cc1Cl 2331399523 UEERSVAHUXISAP-UHFFFAOYSA-N 467.761 6.737 50 10 JKGE COc1ccc(CC(O)=C(C#N)c2nc(-c3ccc(OC)c4ccccc34)cs2)cc1OC 2331405291 CDBPHUPMDCCLGH-UHFFFAOYSA-N 458.539 6.024 50 10 JKGE CCOc1cc(C=C(C#N)c2nc(-c3ccc(F)c(C)c3)cs2)ccc1OCc1ccccc1 2331447467 YFFHGKCCRGNQFO-UHFFFAOYSA-N 470.569 7.300 50 10 JKGE CC(C)(C)c1ccc(-c2csc(C(C#N)=Cc3ccccc3OCc3ccccc3Cl)n2)cc1 2331453695 WNIDDVXVKXJPKT-UHFFFAOYSA-N 485.052 8.404 50 10 JKGE CCOc1cc(C=C(C#N)c2nc(-c3ccc(F)cc3)cs2)ccc1OCc1ccc(C)cc1 2331459082 JFAOGVVXMHBYIR-UHFFFAOYSA-N 470.569 7.300 50 10 JKGE CCCCOc1c(Br)cc(C=C(C#N)c2nc(-c3ccc(C)c(C)c3)cs2)cc1OC 2331472666 MCISVRSIWXXBAN-UHFFFAOYSA-N 497.458 7.441 50 10 JKGE Cc1cc(Br)c(C)c([C@H](Br)C[C@H]2CC[C@@H]3C[C@@H]32)c1Br 2332925512 KEFKYGUEXBOHMX-NRWUCQMLSA-N 451.040 6.701 50 10 JKGE Fc1cc(Br)c(F)c(Br)c1[C@H](Br)[C@@H]1C[C@H]2CC[C@@H]1C2 2334719403 GQFDDRAZVVEDKA-HIHLCYOISA-N 458.966 6.362 50 10 JKGE Brc1ccc(OCc2ccccc2)c([C@@H](Br)[C@@H]2C[C@H]3COC[C@H](C3)C2)c1 2336041369 NKQWNHYZWPWYIG-FBAVSBLXSA-N 480.240 6.527 50 10 JKGE Fc1ccc(F)c([C@H](Br)c2cc(Br)ccc2OCc2ccccc2)c1F 2336051997 XACFYKQZXKPOMO-LJQANCHMSA-N 486.125 6.930 50 10 JKGE C[C@H]1CCCN(Cc2ccc(Cl)c(I)c2)[C@H]1CCBr 2337224221 WMHRXMGPXRUIEU-NHYWBVRUSA-N 456.593 5.330 50 10 JKGE CC1(C)CC[C@H](Cl)[C@@H](Cc2ccc(I)c(Br)c2)CC1 2349778907 PPKDLDABOLDRBA-OCCSQVGLSA-N 455.605 6.420 50 10 JKGE BrC[C@]1(Cc2ccc(I)c(Br)c2)CCCCC12CC2 2349824566 NCCQCVCASQLJIU-MRXNPFEDSA-N 498.040 6.332 50 10 JKGE Brc1cc(CN2C[C@@H](Br)CC3(CCC3)C2)ccc1I 2349835154 MCTADIZIRFEXEE-LBPRGKRZSA-N 499.028 5.193 50 10 JKGE Cc1cc(Cl)c([C@@H](Br)c2cc(Br)ccc2Br)c(Cl)c1 2353083072 JJUVYCBVJWNDKI-AWEZNQCLSA-N 487.844 7.311 50 10 JKGE COc1c([C@H](Cl)c2c(Cl)cc(Br)c(F)c2Br)csc1Cl 2362222025 CFRXFJXSQJGSNA-VIFPVBQESA-N 483.411 7.056 50 10 JKGE CS(=O)(=O)C1CC([C@@H](Cl)c2c(Cl)cc(Br)c(F)c2Br)C1 2362226756 ZDAUPLQFJUMATL-TUXAIXRJSA-N 468.997 5.107 50 10 JKGE Clc1ccc(CN2C[C@H](Br)C[C@@H]3CCCC[C@H]32)cc1I 2362367922 HYMZLHDOPKQEMR-WOSRLPQWSA-N 468.604 5.473 50 10 JKGE Cc1cc(Br)c(F)c(Br)c1[C@H](Br)[C@H]1CC2CCC1CC2 2365178182 ICBINWCPOYMIDU-YXLKDIQASA-N 469.030 6.921 50 10 JKGE COc1c(Br)cc(C)c([C@H](Br)[C@@H]2C[C@@H](C)O[C@H]2C)c1Br 2365234426 JFYGSQYLABNEBS-BSTOTGJRSA-N 471.027 5.778 50 10 JKGE CC(C)(C)[C@@H]1CC[C@H]1CO[C@H](CI)c1cccc(Br)c1 2369181736 FZSBTXRPJPWCID-NUEKZKHPSA-N 451.186 6.014 50 10 JKGE Cc1ccc([C@H](CBr)OCc2cc(I)ccc2Cl)cc1 2380354242 WJKBDVYFLRAIQH-INIZCTEOSA-N 465.556 5.906 50 10 JKGE Cc1ccc(N/C(SCc2ccc(Cl)cc2)=C(/C#N)C(=O)NCc2ccco2)cc1C 3058896 OGMQIKWQCNCIGW-ZNTNEXAZSA-N 451.979 5.947 50 10 JKGE Cc1ccc(N2C(=O)[C@H](Cc3ccc(F)cc3)S/C2=C(\C#N)C(=O)Nc2ccc(Cl)cc2)cc1 16739796 FWRNHZYVDYRWPT-GPSDDGMOSA-N 491.975 5.853 50 10 JKGE CCOc1cc(C(=O)Oc2ccc(/C=C(/C#N)c3ccc(Cl)cc3)cc2)cc(OCC)c1OCC 31901321 MKYMCMYFXVUECU-JCMHNJIXSA-N 491.971 6.819 50 10 JKGE Cc1ccc(Cc2cnc(NC(=O)/C(C#N)=C\c3ccc(-c4ccc([N+](=O)[O-])cc4)o3)s2)cc1 33148370 AHFUKBBKJQDPIW-UYRXBGFRSA-N 470.510 5.756 50 10 JKGE N#C/C(=C/c1ccc(-c2ccc(Cl)c([N+](=O)[O-])c2)o1)C(=O)NCCc1c[nH]c2ccccc12 33583717 LHAOIUZWGKCMJD-BOPFTXTBSA-N 460.877 5.255 50 10 JKGE N#C/C(=C/c1ccc(OCc2c(F)cccc2Cl)cc1)C(=O)Nc1ccccc1C(=O)O 35153576 DUDMKJUYEMRSIS-VBKFSLOCSA-N 450.853 5.302 50 10 JKGE CCOCCOc1nc(-c2ccc(C)cc2)n(-c2ccc(NC(=O)[C@@H](Cl)c3ccccc3)cc2)n1 35777793 SGRVWGHMJRBQPS-DEOSSOPVSA-N 490.991 5.577 50 10 JKGE Cc1cccc(C)c1OCC(=O)Oc1ccc2c(c1)OC(N)=C(C#N)[C@H]2c1ccc(C(C)C)cc1 38649507 ZSPGGMNZEDFXCW-MHZLTWQESA-N 468.553 5.629 50 10 JKGE CCCOc1ccccc1[C@@H]1C(C#N)=C(N)Oc2cc(OC(=O)[C@H](C)Oc3ccccc3F)ccc21 38681617 ZTYRYVYHYUXDGE-QLXKLKPCSA-N 488.515 5.206 50 10 JKGE CC(C)(C)c1ccc(Oc2nc3ccccn3c(=O)c2/C=C(\C#N)C(=O)Nc2ccc(F)cc2)cc1 39992815 UOHAALQOHSBBPH-FBMGVBCBSA-N 482.515 5.469 50 10 JKGE Nc1c(NNC(=O)c2cccc3ccccc23)ncnc1Nc1ccc(Cl)c(C(F)(F)F)c1 40793290 AWOGRCVGXNEBJB-UHFFFAOYSA-N 472.858 5.385 50 10 JKGE Cc1c(C(=O)Nc2cc(Cl)ccc2Cl)oc2c1/C(=N/NC(=O)c1ccc(Cl)cc1)CCC2 40811669 APWODJBTHYOLQR-OGLMXYFKSA-N 490.774 6.271 50 10 JKGE CCOC(=O)/C(C#N)=C/c1ccc(OC(=O)COc2ccc(C)cc2C(C)(C)C)c(OCC)c1 40867291 MPPSEAJRZLTPOR-XSFVSMFZSA-N 465.546 5.146 50 10 JKGE CCOc1c(/C=N/NC(=O)COc2ccc(-c3ccccc3)cc2Br)cccc1OC 40912033 VPXVBALYENAPGA-CVKSISIWSA-N 483.362 5.053 50 10 JKGE Fc1cc2c(cc1I)nc(CCl)n2Cc1ccccc1Br 97408757 WHKXOEFPRXIKGY-UHFFFAOYSA-N 479.518 5.330 50 10 JKGE CCOc1ccc(N2C(=O)[C@H](Cc3cccc(C)c3)S/C2=C(/C#N)C(=O)Nc2ccccc2C)cc1 101245159 QEUCOSZTNZAVAR-IYQUHZLLSA-N 497.620 5.767 50 10 JKGE Cc1ccccc1CS/C(Nc1ccc(Br)cc1)=C(/C#N)S(=O)(=O)c1ccccc1 104689113 OEBUIPAJCWQWPH-FCQUAONHSA-N 499.455 6.269 50 10 JKGE Clc1ccc(Cl)c(CC(CBr)(CBr)Cc2ccccc2)c1 118875706 MRWIZVODCKYZPH-UHFFFAOYSA-N 451.029 6.555 50 10 JKGE Oc1ccc(CC(CBr)(CBr)c2ccc(Br)cc2)cc1 127192411 AFIQIWPJQORIHK-UHFFFAOYSA-N 463.007 5.425 50 10 JKGE COc1cc(Br)ccc1[C@@H](Br)c1cc(F)c(Br)cc1F 160783679 NCYVIOUPQATERT-CQSZACIVSA-N 470.933 5.983 50 10 JKGE Brc1ccccc1[C@H](CI)O[C@H]1CCCc2ccccc21 162080338 QWDMBWUJQSEPSI-ROUUACIJSA-N 457.149 6.019 50 10 JKGE COCCOc1ccc([C@H](Br)c2ccc(Br)cc2)cc1Br 229016920 UYMFAXOMEYBAHP-MRXNPFEDSA-N 479.006 5.721 50 10 JKGE Brc1ccc([C@H](Br)Cc2nc3ccccc3s2)c(Br)c1 232480509 YINASMZZTDSXDV-GFCCVEGCSA-N 476.031 6.500 50 10 JKGE CN(C(=O)c1cc(Br)sc1Br)[C@H]1CCCC[C@H]1Br 234315446 MNSMLEYZKYGJKK-BDAKNGLRSA-N 460.029 5.051 50 10 JKGE Cc1ccc(OCC(=O)NN=Cc2c(OC(=O)c3cccc(C)c3)ccc3ccccc23)cc1 254419401 INZMKHTTWWQLDE-UHFFFAOYSA-N 452.510 5.205 50 10 JKGE CC(=NNC(=O)CSc1nnc(-c2ccccc2)n1-c1ccccc1)c1ccccc1OC(F)F 254628207 YENDSPKLRWQGHL-UHFFFAOYSA-N 493.539 5.168 50 10 JKGE CCCCCCCCCCCC(=O)NN=Cc1ccc(OC(=O)c2ccc(OC)cc2)c(OCC)c1 254746528 FHMLVWWZYMWIRF-UHFFFAOYSA-N 496.648 6.684 50 10 JKGE FC(F)(F)c1csc([C@@H](Br)c2ccccc2Br)c1Br 311975481 KUGPMRHQVIWHOP-VIFPVBQESA-N 478.953 6.776 50 10 JKGE C[C@@H](Cl)c1nc2cc(I)c(F)cc2n1C(C)(C)CN(C)Cc1ccccc1 379605726 CADFODGQZPHMAS-CQSZACIVSA-N 499.799 5.947 50 10 JKGE C[C@@H]1CCN(c2cc(Br)ccc2CBr)CCN1Cc1ccccc1 382642387 ABXXSCZKQULSMN-MRXNPFEDSA-N 452.234 5.445 50 10 JKGE O=C(OCc1ccccc1)N1C[C@@H](CBr)[C@H](c2ccc(F)cc2Br)C1 382717990 LTZVOZKHFPLNFE-RHSMWYFYSA-N 471.164 5.335 50 10 JKGE ClCc1nc2ccc(Cl)cc2n1-c1ccc(I)cc1Br 383567451 YSCUCYLAGBEPBG-UHFFFAOYSA-N 481.946 5.785 50 10 JKGE Clc1cc(Br)cc([C@@H](Cl)c2cc(Cl)c(Cl)c(Cl)c2Cl)c1 404890318 WGMCKOJSMAHLBV-SNVBAGLBSA-N 453.805 8.044 50 10 JKGE Cc1ccc2nc([C@@H](C)Cl)n(CC3(N(Cc4ccccc4)Cc4ccccc4)COC3)c2c1 706572192 FKXPSZZANYARQW-JOCHJYFZSA-N 460.021 6.116 50 10 JKGE O=C(CC[C@H](O)c1ccccc1)NN=Cc1cc(-c2ccccc2)n(-c2ccccc2)c1-c1ccccc1 1084143986 XFLDIKHVZLQYJK-HKBQPEDESA-N 499.614 6.775 50 10 JKGE O=C(NN=C(CSc1nc2ccccc2o1)c1ccc(-c2ccccc2)cc1)c1cccc(Cl)c1 1084290544 UXHXOBPINCPCOX-UHFFFAOYSA-N 498.007 7.075 50 10 JKGE O=C(NN=C1C(=O)N(CCc2ccccc2)c2ccc(Br)cc21)c1cccc2ccccc12 1084335867 OIJBHPWFWXRRNP-UHFFFAOYSA-N 498.380 5.326 50 10 JKGE CCOc1cc(/C=C(/C#N)C(=O)Nc2cc(Cl)ccc2C)ccc1OCc1cccc(F)c1 1084347048 QXDCSFWGWACHKB-JAIQZWGSSA-N 464.924 6.311 50 10 JKGE CCOc1cc(C=NNC(=O)c2ccc(Cl)c([N+](=O)[O-])c2)ccc1OCc1ccc(Cl)cc1 1084533639 GFZXTTOEMWHYKY-UHFFFAOYSA-N 488.327 5.643 50 10 JKGE O=P(c1ccccc1)(c1ccccc1)[C@H](Nc1ccc(Br)c(Cl)c1)c1cccnc1 1088727129 NWOBDVIUQCSVPJ-DEOSSOPVSA-N 497.760 6.622 50 10 JKGE CCCCCCOc1ccc(C=NNC(=O)COc2ccc(CCC)cc2Br)cc1 1772755613 AGVYAVWVVXGHAA-UHFFFAOYSA-N 475.427 5.890 50 10 JKGE O=C(CSc1nc2ccccc2[nH]1)NN=Cc1cccc(OCc2ccc(Cl)cc2Cl)c1 1772760390 IGCNEYRCVUTCPL-UHFFFAOYSA-N 485.396 5.691 50 10 JKGE CC[C@H](Oc1cccnc1NC(=O)Nc1ccc(SC#N)cc1)C(=O)OC1CCCCC1 1858856512 SJESCCNCOIBHPM-IBGZPJMESA-N 454.552 5.332 50 10 JKGE N#CSc1ccc(NC(=O)C2CCN(C(=O)/C=C/c3cccc(OCc4ccccc4)c3)CC2)cc1 1860600373 RENLWAABFGKNIV-NTEUORMPSA-N 497.620 5.729 50 10 JKGE N#CC1=C(N)Oc2c(c(-c3ccccc3)nn2Cc2cccc(F)c2)[C@H]1c1ccc(Cl)cc1Cl 1865686621 XVMZRJQXYUVXOK-QFIPXVFZSA-N 491.353 6.262 50 10 JKGE CCCCCOc1ccc([C@@H]2C(C#N)=C(N)Oc3c2c(CCC)nn3-c2ccc(C)cc2)cc1 1865690440 RCVLEJNYLHJXEY-RUZDIDTESA-N 456.590 5.920 50 10 JKGE CCCOc1c(OC)cccc1[C@H]1C(C#N)=C(N)Oc2c1c(-c1ccc(OC)cc1)nn2CC(C)C 1865692827 JIWPVSJSVRCOPT-QHCPKHFHSA-N 488.588 5.230 50 10 JKGE Cc1ccsc1[C@H]1C(C#N)=C(N)Oc2c1c(-c1ccccc1)nn2Cc1ccc(Cl)c(Cl)c1 1865698744 BRZLCRZTBIYXOP-FQEVSTJZSA-N 493.419 6.493 50 10 JKGE N#CC1=C(N)Oc2c(c(C(F)(F)F)nn2-c2ccc(Cl)c(Cl)c2)[C@@H]1c1c[nH]c2ccccc12 1865700134 LPXXOSXDWCBRDI-KRWDZBQOSA-N 490.272 5.897 50 10 JKGE CCN(Cc1ccccc1)c1ccc([C@@H]2C(C#N)=C(N)Oc3c2c(-c2ccc(OC)cc2)nn3C)cc1 1865707032 MEIWDKAQKQVVHF-AREMUKBSSA-N 491.595 5.340 50 10 JKGE CCCCCOc1ccc(/C=C(/C(=O)Nc2nnc(CCl)s2)c2ccccc2)cc1OC 1865909584 DGTPOMWVVAQCOT-XMHGGMMESA-N 472.010 6.034 50 10 JKGE CC[C@@](C)(NC(=O)C[C@@H](c1ccc(Cl)cc1)C(C)C)C(=O)Nc1ccc(SC#N)cc1 1866756232 POOICHLTUCJGBG-ZJSXRUAMSA-N 458.027 5.966 50 10 JKGE CCCc1nc(Nc2ccc(SC#N)cc2)cc(N2CCc3cc(C)ccc3[C@@H]2CC(C)C)n1 1868388080 DZOMBCSVILQWGA-VWLOTQADSA-N 471.674 7.204 50 10 JKGE CC(C)[C@H](/C(O)=C(\C#N)c1nc(-c2ccc(F)c(F)c2)cs1)N1C(=O)c2ccccc2C1=O 1872751517 LOGKNTNDQNSDNT-JSZIULHXSA-N 465.481 5.202 50 10 JKGE COc1ccc(C(C)(C)C)cc1-c1csc(/C(C#N)=C(O)/C=C/c2ccc(C(C)C)cc2)n1 1872751660 RHVNMCRLXGTGOV-JPZPWVHPSA-N 458.627 7.746 50 10 JKGE COc1c(C)cc(C)cc1-c1csc(/C(C#N)=C(\O)c2cc([N+](=O)[O-])cc([N+](=O)[O-])c2C)n1 1872755013 UNMIJFXCOOSUSN-JZJYNLBNSA-N 466.475 5.510 50 10 JKGE CCCOc1ccc(/C=C(\C#N)c2nc(-c3cccc(Br)c3)cs2)cc1OCC 1872784087 BQQRZVWNOZUITK-WOJGMQOQSA-N 469.404 6.824 50 10 JKGE COc1cc(/C=C(\C#N)c2nc(-c3ccccc3OC)cs2)ccc1OC(=O)c1ccccc1 1872784270 HNHOGQYQJBPYTL-XSFVSMFZSA-N 468.534 6.111 50 10 JKGE CCCCCCOc1ccc(/C=C(\C#N)c2nc(-c3ccc(OC)c(C)c3C)cs2)cc1OC 1872793436 ZRSKXFCRQBVFMW-PXLXIMEGSA-N 476.642 7.467 50 10 JKGE COc1cc(C)c(-c2csc(/C(C#N)=C/c3cccc(OCc4ccccc4)c3)n2)cc1C(C)C 1872793444 ZZLUATBYUDAGCI-ZVHZXABRSA-N 480.633 7.894 50 10 JKGE Fc1cc(Br)c2nc(CCCl)n(C3(CCOCc4ccccc4)CC3)c2c1 1912704253 UZWNYWKXMUADNI-UHFFFAOYSA-N 451.767 5.815 50 10 JKGE CC[C@@H](Br)CN(Cc1ccccc1)S(=O)(=O)c1c(Cl)cccc1Br 1915078789 UZVKBJBTPTXWTQ-CQSZACIVSA-N 495.664 5.467 50 10 JKGE C[C@H](CCBr)N(Cc1ccccc1)c1ccc(S(=O)(=O)C(F)(F)F)cc1 1915085966 BQSCIBUQHSWTEI-CQSZACIVSA-N 450.320 5.160 50 10 JKGE CC(C)[C@@H](CBr)N(Cc1ccccc1)C(=O)c1ccccc1OCc1ccccc1 1915259568 MRQFBSFOIPUFLS-XMMPIXPASA-N 466.419 6.328 50 10 JKGE Cc1c(Br)sc([C@H](Br)c2ccccc2Cl)c1Br 1922943114 UZKZOEMJKNXQRR-SNVBAGLBSA-N 459.428 6.719 50 10 JKGE Clc1c(Br)sc(Br)c1[C@H](Br)[C@]12CCCC[C@H]1C2 1923038191 HQFQTZXXLLARGT-HQLZOWSPSA-N 463.460 6.943 50 10 JKGE Fc1cc([C@@H](Br)c2c(Br)sc(Br)c2Cl)cc(F)c1F 1923068417 RFQXRNFQUBWZRF-SSDOTTSWSA-N 499.371 6.828 50 10 JKGE FC1CC(C[C@@H](Br)c2c(Br)sc(Br)c2Br)C1 1924571089 ONFDWTZWDPLXMD-JMMWHDCWSA-N 499.863 6.610 50 10 JKGE CC(C)(C[C@H](Cl)c1c(Br)sc(Br)c1Br)C1CC1 1924605858 XZBXRZTXOIJXGP-ZETCQYMHSA-N 465.476 7.142 50 10 JKGE Fc1cc(Br)c([C@@H](Br)c2csnc2Br)c(F)c1F 1925265871 YROANIZIEIVEDD-ZETCQYMHSA-N 465.914 5.570 50 10 JKGE Fc1cc(Cl)c(Br)cc1[C@H](Br)c1sccc1Br 1948503105 AEFTZJTUVAIZIC-JTQLQIEISA-N 463.391 6.550 50 10 JKGE Clc1ccc(I)c([C@@H](Cl)c2sc(Cl)cc2Br)c1 1948822199 BBOWSWWIJZJNTH-SNVBAGLBSA-N 482.395 6.750 50 10 JKGE Fc1cscc1[C@@H](Br)c1c(Br)sc(Br)c1Cl 1982839827 ZVXKGZYJVMIZLW-ZCFIWIBFSA-N 469.420 6.611 50 10 JKGE CC1(C)CN(Cc2ccccc2)CCN1c1cccc(Br)c1CBr 1997373347 HYGXOLPKPUCBIP-UHFFFAOYSA-N 452.234 5.445 50 10 JKGE CN(c1cc(Br)cc(F)c1CBr)[C@@H]1CCN(Cc2ccccc2)C1 2004046166 URJKRBYUXOIYQC-MRXNPFEDSA-N 456.197 5.194 50 10 JKGE CC1=C(C#N)C(=O)N(C[C@@H]2CCCO2)C(=O)C1=Cc1ccc(-c2ccc(Cl)cc2Cl)o1 2040991909 UQGCKHNKENJGAI-INIZCTEOSA-N 457.313 5.025 50 10 JKGE CCO[C@@H]1CC[C@H]([C@@H](Br)c2c(Br)sc(Br)c2Cl)C1 2054494607 DICQWUSTVMVIPD-LKEWCRSYSA-N 481.475 6.568 50 10 JKGE CC12CCC([C@@H](Br)c3sc(Br)cc3Br)(CC1)CO2 2069712507 OCOUQTCOGLVUCU-HIFPTAJRSA-N 459.041 6.058 50 10 JKGE COc1c(Cl)cc(Br)cc1[C@H](Br)c1csc(Br)c1 2082859963 WJWYZLYDNFGTJF-LLVKDONJSA-N 475.427 6.419 50 10 JKGE Cc1sc(Br)c([C@H](Br)c2ccc(Cl)cc2Br)c1C 2082883090 DGKFTHLXPZGFQZ-GFCCVEGCSA-N 473.455 7.028 50 10 JKGE CC(C)(C)OC(=O)NC[C@@](C)(CI)OCc1cccc2ccccc12 2084567702 CZJNLWKOFFYZPL-HXUWFJFHSA-N 455.336 5.075 50 10 JKGE COc1ccc([C@@H](Br)Cc2ccccc2I)c(Cl)c1 2087564784 VVDDXSKAPJBXPS-ZDUSSCGKSA-N 451.529 5.632 50 10 JKGE C[C@H]1Cc2cc([C@@H](Br)c3ncsc3Br)cc(Br)c2O1 2090458297 OBBHKZUCADVYJG-QUBYGPBYSA-N 468.008 5.476 50 10 JKGE COc1ccc([C@H](Br)c2cccc(Br)c2Br)cc1F 2092328937 QGGADHCOHVLVMU-ZDUSSCGKSA-N 452.943 5.844 50 10 JKGE Clc1ccc(I)c(CN2CCC[C@H](CCBr)CC2)c1 2093318644 PYJRUKXVFNSCDY-GFCCVEGCSA-N 456.593 5.332 50 10 JKGE BrC[C@H]1CCC2(CC2)CN1Cc1ccc(Br)cc1Br 2097884382 DUDILZCRSZKZRN-CYBMUJFWSA-N 452.028 5.351 50 10 JKGE O=C(NC[C@@H]1CCCC[C@H](Br)C1)c1cc(Br)c(Br)s1 2107481055 NSXPWUZMAZCBPU-BDAKNGLRSA-N 474.056 5.347 50 10 JKGE Clc1ccc(COc2ccc(Br)c(CBr)c2)cc1Br 2110519514 SCGYBMJXGWHYLE-UHFFFAOYSA-N 469.398 6.339 50 10 JKGE Brc1ccc(Br)c([C@H](Br)[C@@H]2CCCCC23CCC3)c1 2116988463 AOWGWMZMOKIUNJ-ZFWWWQNUSA-N 451.040 7.008 50 10 JKGE Brc1ccc([C@H](Br)[C@@H]2C[C@H]2C2CCOCC2)c(Br)c1 2138849745 FPCZXDFBFPLOKY-GUTXKFCHSA-N 453.012 5.710 50 10 JKGE Cc1c(Br)ccc([C@@H](Br)C[C@@H]2C[C@H]3CC[C@H]2C3)c1Br 2138876657 RSRARIOSIWXHMC-ASHKBJFXSA-N 451.040 6.782 50 10 JKGE Cc1c(Br)sc([C@H](Br)C2C[C@H]3COC[C@H](C2)C3)c1Br 2141799950 RLOFGKIMOWYWMM-HOTUBEGUSA-N 473.068 6.080 50 10 JKGE COc1cc(Br)c(C)cc1[C@@H](Br)c1cccc(F)c1Br 2145959228 BTHGAZSBAMLTBM-AWEZNQCLSA-N 466.970 6.152 50 10 JKGE Fc1cc2c(cc1Br)nc(CCl)n2[C@H]1CCOC[C@H]1OCc1ccccc1 2146525433 VDDKGNNZHAGCTF-PKOBYXMFSA-N 453.739 5.224 50 10 JKGE O=C(c1cc(Br)ccc1Br)N1CCC[C@H](CCBr)CC1 2149747225 FZYSNKGBHLDIFV-LLVKDONJSA-N 468.027 5.239 50 10 JKGE CCN(CCCOCc1ccccc1)S(=O)(=O)c1cc(CCl)cc(C)c1Br 2153180279 ILKWLCGHVQCXDR-UHFFFAOYSA-N 474.848 5.114 50 10 JKGE C[C@]1([C@H](Br)c2cc(I)cc3c2OCC3)C[C@@H]1C(F)(F)F 2156889281 JJNALDPBZHUEHO-UHTWSYAYSA-N 461.059 5.251 50 10 JKGE Cc1c(Cl)cc([C@@H](Br)c2cc(S(C)(=O)=O)cs2)cc1Br 2167381889 BUKIDBIJQOVJQT-CYBMUJFWSA-N 458.624 5.360 50 10 JKGE Fc1cc(Br)cc(N2CCC[C@@]3(CCN(Cc4ccccc4)C3)C2)c1CCl 2170694868 IIJDDGGIGLIPEO-QFIPXVFZSA-N 451.811 5.820 50 10 JKGE C[C@@H](Br)C[C@H]1CCCCCN1Cc1cc(Br)ccc1Br 2175153861 BUOAAAMQERUNIW-IUODEOHRSA-N 468.071 6.130 50 10 JKGE Fc1cc(Br)c([C@@H](Br)c2cccc(F)c2Br)c(F)c1Cl 2201620189 YRSOQNMLBINUHT-NSHDSACASA-N 493.342 6.767 50 10 JKGE COc1c(C)cc(Br)cc1[C@H](Br)c1cccc(Br)c1Cl 2206570419 RHUJYDRNVNGUQM-CYBMUJFWSA-N 483.425 6.666 50 10 JKGE CC(C)OC[C@H](Br)Cc1sc(Br)c(Br)c1Br 2212199443 CLJIHGUKAYJSDQ-ZCFIWIBFSA-N 499.888 5.767 50 10 JKGE CCN(C(=O)c1cc(Br)sc1Br)[C@@H]1CCC[C@@H]1Br 2217693429 JTZAGVICPAFXAJ-DTWKUNHWSA-N 460.029 5.051 50 10 JKGE C[C@H](C[C@@H](Br)c1cc(Br)c(Br)cc1F)C(F)(F)F 2218595706 AJKMRSMJOVCOKY-IYSWYEEDSA-N 456.897 6.375 50 10 JKGE Cc1ccc(I)c([C@@H](Cl)c2c(Cl)sc(Cl)c2Cl)c1 2224052264 CTTSBSFXTYCWEM-SECBINFHSA-N 451.971 6.950 50 10 JKGE COc1csc([C@@H](Br)c2c(Br)cc(Cl)c(Cl)c2Cl)c1 2224302606 NGKWGWGBBQWFHX-SNVBAGLBSA-N 465.421 6.964 50 10 JKGE Fc1cc(Br)c(Br)cc1[C@H](Br)[C@@H]1CC[C@H]2C[C@H]2CC1 2225615288 FVYJAMARNBNANT-DRNSDYETSA-N 455.003 6.613 50 10 JKGE Cc1cc(Br)c([C@@H](Br)CC[C@@H]2CCOC2)c(C)c1Br 2227358255 ZMSXQZMTDDESEM-NEPJUHHUSA-N 455.028 6.081 50 10 JKGE CC1(C)CN(Cc2cc(Cl)ccc2I)C[C@@H]1CCBr 2230139544 TZQVBDDFRAKLJR-LBPRGKRZSA-N 456.593 5.188 50 10 JKGE CCO[C@@H]1CC[C@@H]([C@@H](Br)c2c(Br)cc(Cl)c(Cl)c2Cl)C1 2232510538 HPMILWYJUIINFF-DNSOKLHBSA-N 465.440 7.051 50 10 JKGE Fc1cc(Br)c(Br)cc1[C@H](Br)[C@@H]1CCCCC12CCC2 2233974523 FTDVEGLSWQNSOI-NHYWBVRUSA-N 469.030 7.147 50 10 JKGE Cc1cc(Cl)cc([C@H](Br)c2c(Br)cc(C)c(Br)c2C)c1 2235603155 HTCLAJKSYDQWRO-INIZCTEOSA-N 481.453 7.275 50 10 JKGE C[C@@H](CCCCCI)NC(=O)c1scc(Br)c1Cl 2253532041 XYETVDDEKUAMKC-QMMMGPOBSA-N 464.594 5.278 50 10 JKGE Cc1nc(C[C@@H](Br)c2ccc(Cl)c(I)c2)sc1C 2256330802 DLKFGZQSAWRKEO-SNVBAGLBSA-N 456.574 5.697 50 10 JKGE Clc1ccc([C@@H](Br)c2ncn3ccsc23)cc1I 2256337596 TZLXVDPIGNVPDB-SNVBAGLBSA-N 453.530 5.138 50 10 JKGE COc1c([C@H](Br)c2cc(Br)sn2)cc(Br)c(C)c1C 2269111131 QBSWYKMXTGCWIV-LBPRGKRZSA-N 470.024 5.778 50 10 JKGE COc1ccc([C@@H](Cl)c2ccc(F)cc2Br)cc1I 2269540102 GDAAVKMEQVOGBJ-CQSZACIVSA-N 455.492 5.530 50 10 JKGE Fc1cc(Br)c(F)c(Br)c1[C@@H](Br)[C@@H]1[C@H]2C[C@@H]3[C@H]1[C@@H]3C2 2272848334 UZOWMMGMHSMECR-QRUDSGOFSA-N 456.950 5.828 50 10 JKGE CC1(COc2c(Br)cc(CBr)cc2Br)CC(F)(F)C1 2278200379 JTVFITSMXJPHEM-UHFFFAOYSA-N 462.954 5.921 50 10 JKGE Fc1cc(Cl)c([C@@H](Cl)Cc2cc(Br)cc(Br)c2)cc1Cl 2295268370 YBMGAOFMAQUPNS-NSHDSACASA-N 461.383 7.180 50 10 JKGE CC(C)COc1ccc(-c2nn(-c3ccccc3)cc2C=C(C#N)c2nc(O)c3ccccc3n2)cc1 2296721800 YSERCHIEISYFIJ-UHFFFAOYSA-N 487.563 6.287 50 10 JKGE C[C@@]1([C@H](Br)c2ccc(OCc3ccccc3)cc2Br)CCCCO1 2299495627 RFNXVKTZGMAFQA-UXHICEINSA-N 454.202 6.423 50 10 JKGE COc1ccc(C(=O)Oc2ccc(C=C(C#N)C(=O)Nc3cccc4ccccc34)cc2OC)cc1 2313683467 JZWWQPAGEMEAMX-UHFFFAOYSA-N 478.504 5.622 50 10 JKGE N#CC(=Cc1ccc(-c2cccc(I)c2)o1)c1nc(O)c2ccccc2n1 2314433963 YMKGTQLZMCQXBK-UHFFFAOYSA-N 465.250 5.264 50 10 JKGE N#CC(=C(O)c1ccc(-c2ccc(Cl)cc2Cl)o1)c1nc(-c2ccc(F)cc2)cs1 2314457383 HCXVFZBPAXPURZ-UHFFFAOYSA-N 457.313 7.466 50 10 JKGE CCc1ccc(C[C@H]2SC(=C(C#N)C(=O)NCc3ccccc3)N(c3ccc(CC)cc3)C2=O)cc1 2314593778 SNJRTFYQOYOSLD-HHHXNRCGSA-N 495.648 5.554 50 10 JKGE Cc1ccc(C[C@@H]2SC(=C(C#N)C(=O)NCc3ccco3)N(c3ccc(C)c(C)c3)C2=O)cc1C 2314593848 UUBNATAATRPZLI-VWLOTQADSA-N 485.609 5.256 50 10 JKGE N#CC1=C(N)Oc2cc(OC(=O)C=Cc3ccccc3Cl)ccc2[C@H]1c1cccc2ccccc12 2314634591 LYWMKUCBPMEYMV-MUUNZHRXSA-N 478.935 6.330 50 10 JKGE CCCCCCOc1ccc(C=C(C#N)C(=O)Nc2ccc(C(=O)OCCOC)cc2)cc1OC 2314728845 NKLGKKNOXUEGLN-UHFFFAOYSA-N 480.561 5.003 50 10 JKGE Cc1cc(Br)c([C@H](Cl)c2sc(Cl)cc2I)cc1Cl 2316775609 USLDDAUDJILQRU-NSHDSACASA-N 496.422 7.059 50 10 JKGE N#CC(=Cc1cccc(OC(=O)c2ccc(S(=O)(=O)N3CCCC3)cc2)c1)c1cccc(Cl)c1 2320506120 CBLKQPNOGKYOPG-UHFFFAOYSA-N 492.984 5.408 50 10 JKGE N#CC(=Cc1cccc(OC(=O)C=Cc2ccc(Cl)cc2Cl)c1)c1ccc(Cl)cc1 2320510938 GDDNZXYPYDZVBJ-UHFFFAOYSA-N 454.740 7.330 50 10 JKGE O=C(NN=Cc1ccc(Cl)c([N+](=O)[O-])c1)c1ccc2nc(-c3ccccc3Cl)[nH]c2c1 2323743987 NFLUUVHSORFAHY-UHFFFAOYSA-N 454.273 5.209 50 10 JKGE BrCC[C@H]1CCCN(Cc2ccc(I)c(Br)c2)C1 2325221197 DZHSVDZELQNEIW-LLVKDONJSA-N 487.017 5.051 50 10 JKGE CCOc1cc(C=C(C#N)c2ccc(C(=O)OC)o2)ccc1OCc1ccc(Cl)cc1Cl 2331048504 QHXZVVLWWDJAKY-UHFFFAOYSA-N 472.324 6.415 50 10 JKGE Cc1ccc(-c2csc(C(C#N)=C(O)CCCOc3ccc(Cl)cc3Cl)n2)c(C)c1 2331310968 AMANOWLWCYEPFR-UHFFFAOYSA-N 459.398 7.386 50 10 JKGE CSCC[C@@H](C(O)=C(C#N)c1nc(-c2ccc(C)c(C)c2)cs1)N1C(=O)c2ccccc2C1=O 2331385293 QBDZTSXYMACGNG-QFIPXVFZSA-N 489.622 5.638 50 10 JKGE Cc1ccc(COc2ccc(C=C(C#N)c3nc(-c4ccc5c(c4)OCO5)cs3)cc2)cc1 2331453897 WHCVUYYMJZGFBU-UHFFFAOYSA-N 452.535 6.490 50 10 JKGE CC1(C)CCC[C@H]([C@H](Br)c2cc(Br)ccc2OCc2ccccc2)CC1 2336077108 FKUYTKYAOLRCBG-AVRDEDQJSA-N 480.284 8.071 50 10 JKGE Cn1nc(Br)c([C@@H](Cl)c2c(Cl)cc(Br)c(F)c2Br)n1 2337096361 GYGRAFGCBOLEFH-ZETCQYMHSA-N 496.787 5.223 50 10 JKGE C[C@H]1CCC[C@@](CBr)(OCc2cc(Br)cc(Br)c2)C1 2337096811 IUSJXMGJIJDVAI-XHDPSFHLSA-N 455.028 6.072 50 10 JKGE Cn1nc(Br)c(Br)c1[C@@H](Cl)c1cc(C2CC2)c(Br)s1 2338720286 POJKJKFMYXGJMU-VIFPVBQESA-N 489.458 5.975 50 10 JKGE Fc1cc(CCl)cc(F)c1Oc1cc(Br)cc(I)c1 2338755553 QZJVYLGIDZVOMI-UHFFFAOYSA-N 459.455 5.863 50 10 JKGE Cc1cc(Br)c(F)c(Br)c1[C@H](Br)C(C1CC1)C1CC1 2339675176 PQYOUNPHIPIVKF-ZDUSSCGKSA-N 455.003 6.531 50 10 JKGE COc1ccc([C@H](Br)c2ccc(Cl)cc2I)cc1C 2340068022 IYBSZVSNXBILQR-HNNXBMFYSA-N 451.529 5.746 50 10 JKGE Cc1cc(F)c(F)cc1[C@H](Br)c1ccc(Cl)cc1I 2340068781 RENSBKVNAHNCOJ-CQSZACIVSA-N 457.483 6.016 50 10 JKGE Clc1ccc(C[C@@H]2C[C@@H]3CCCC[C@@H]3[C@@H]2Br)c(I)c1 2341026888 FMTNWPUCBWWIPS-YLUJIRGKSA-N 453.589 6.077 50 10 JKGE Cc1cc(Br)c([C@H](Br)[C@H]2CC[C@@H]2C(C)(C)C)cc1Br 2343234640 ZONIFLFMQHPFCV-ITDIGPHOSA-N 453.056 7.028 50 10 JKGE Cc1scc([C@H](Br)c2c(Br)cc(F)c(Cl)c2F)c1Br 2343561009 CXXNUFLZGZVIHN-JTQLQIEISA-N 495.408 6.997 50 10 JKGE Cc1cccc([C@H](Br)c2c(C)cc(Br)c(F)c2Br)c1Cl 2365184949 GUPBNRXXMZHJCP-LBPRGKRZSA-N 485.416 7.105 50 10 JKGE CC(C)(C)[C@@H]1CC[C@H]1[C@@H](Br)c1c(F)cc(Br)c(F)c1Br 2369054914 ICBKPZHUKJGRBL-DNSOKLHBSA-N 475.009 6.998 50 10 JKGE O=C(NN=Cc1ccc(Oc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])cc1)c1ccc2ccccc2c1 9311163 DCJIJSQMDLQOTH-UHFFFAOYSA-N 456.414 5.212 50 10 JKGE C[S@@](=O)(=N/C=C(/C#N)C(=O)c1ccccc1)c1ccc(OC(=O)c2ccc(Cl)cc2)cc1 12367222 VGCMVZYDLIQUAJ-HSLGOTFXSA-N 464.930 5.306 50 10 JKGE C#CCOc1cc(Br)c(/C=C(/C#N)C(=O)Nc2cccc(Cl)c2)cc1OCC 16185104 LRXZGGNXCCWAHL-DHDCSXOGSA-N 459.727 5.059 50 10 JKGE CCn1c2ccccc2c2cc(/C=C(/C#N)S(=O)(=O)c3ccc(Br)cc3)ccc21 33497391 GEOSNYNYBPJSDG-UYRXBGFRSA-N 465.372 5.915 50 10 JKGE CCCCOc1ccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4cccc(Cl)c4)ccc32)cc1 38650859 UEAGSOUROYSVIM-RUZDIDTESA-N 474.944 5.956 50 10 JKGE CCCCC1CCC(C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@H]3c2ccc(OCCC)cc2)CC1 38687531 OPHAVZGXSZYLLK-FEPYILBSSA-N 488.628 6.596 50 10 JKGE N#C/C(=C\c1ccc(-c2cccc(Cl)c2Cl)o1)C(=O)Nc1ccc(C(F)(F)F)c(Cl)c1 39884867 OSCNUTFGKBSWJX-DHZHZOJOSA-N 485.676 7.471 50 10 JKGE N#C/C(=C\c1ccc(-c2cccc(Cl)c2Cl)o1)c1nc(-c2cccc([N+](=O)[O-])c2)cs1 39885063 ZSWVXPCIOCEUMU-GXDHUFHOSA-N 468.321 7.349 50 10 JKGE Cc1ccc(C(C)C)c(OC(=O)c2oc3c(c2C)/C(=N/NC(=O)c2cccc(Cl)c2)CCC3)c1 40813368 KEJAHKIYNXDCEZ-XHLNEMQHSA-N 478.976 6.363 50 10 JKGE Cc1ccc(NC(=O)c2oc3c(c2C)/C(=N/NC(=O)Cc2coc4c(C)c(C)ccc24)CCC3)cc1 40826732 ZRWINYQCAINNJF-UQRQXUALSA-N 483.568 5.911 50 10 JKGE CCCCC1CCC(C(=O)Oc2ccc(/C=C(\C#N)c3ccc(Cl)cc3)cc2OC)CC1 40949206 VNXLDLXXZPULHI-XQNSMLJCSA-N 451.994 7.315 50 10 JKGE O=C(NC1CCCCCC1)[C@H](c1ccc(F)cc1)N(CCc1ccc(Cl)cc1)C(=O)CCl 97914841 PAECLRJLGBIEEG-DEOSSOPVSA-N 479.423 5.669 50 10 JKGE N#C/C(C(=O)Nc1ccccc1)=C1\S[C@@H](Cc2ccc(F)cc2)C(=O)N1c1ccc(F)cc1 102973888 FUCUVRXJXRHOPJ-SCIJIFGBSA-N 461.493 5.030 50 10 JKGE C[C@]12CC[C@@H]3c4ccc(O)cc4CC[C@@H]3[C@@H]1CC/C2=N/NC(=O)C(O)(c1ccccc1)c1ccccc1 105436486 MYCPNYBYHGFOKA-FLRFHNLGSA-N 494.635 5.657 50 10 JKGE Fc1ccc([C@@H](Br)c2cc3c(cc2Br)OCCO3)c(Br)c1 109865712 CVJQIHWOYLCSJC-OAHLLOKOSA-N 480.953 5.606 50 10 JKGE CCOc1ccc(Br)cc1[C@H](Br)c1ccc(Br)cc1Cl 109871641 QXINGAPEYXCKFN-OAHLLOKOSA-N 483.425 6.748 50 10 JKGE BrCC(CBr)(Cc1nccs1)c1ccccc1Br 127438559 XUBCCHHCCHBGNR-UHFFFAOYSA-N 454.025 5.176 50 10 JKGE CC[C@H](c1ccccc1)[C@@H](Br)c1cc(Br)c(Br)s1 128294956 YZKICVAOEHHUAY-ZWNOBZJWSA-N 453.037 6.903 50 10 JKGE CCOc1cc(/C=C(/C#N)C(=O)Nc2cccc3ccccc23)ccc1OC(=O)c1ccc(C)cc1 207056634 CLFVZGVSUBUPGF-ULJHMMPZSA-N 476.532 6.312 50 10 JKGE CCCCN(/C=C(/C#N)C(=O)N1CCN(C(c2ccccc2)c2ccccc2)CC1)CCCC 216498464 GZJAOYCDOCROSH-PNHLSOANSA-N 458.650 5.230 50 10 JKGE Cc1sc([C@@H](Br)c2cc(Br)ccc2Cl)cc1Br 227833331 AKPPVJBWCIKTGP-LBPRGKRZSA-N 459.428 6.719 50 10 JKGE FC(F)(F)c1cc(Br)ccc1[C@H](Br)c1cc(Cl)sc1Cl 229518358 WILFLUGHXJOUNK-JTQLQIEISA-N 468.947 7.321 50 10 JKGE Brc1cc([C@H](Br)c2csc3c(Br)cccc23)cs1 232483769 ITDVSYUHXLBNHZ-LBPRGKRZSA-N 467.045 6.972 50 10 JKGE CCOc1ccc([C@H](Br)c2csc(Br)c2)c(Br)c1 233792193 OGTCCWYUSYPIID-CYBMUJFWSA-N 455.009 6.156 50 10 JKGE Clc1ccc([C@H](Cl)c2cc(Br)c(Br)s2)c(Br)c1 236038114 XXWDUOULGWDJTA-JTQLQIEISA-N 479.846 7.017 50 10 JKGE Cc1cc(Br)c([C@H](Br)[C@@H]2C[C@H]2c2ccccc2)cc1Br 251069707 LGOOZKKIIXQIIQ-OGHNNQOOSA-N 459.019 6.760 50 10 JKGE O=C(NN=Cc1ccc(C(F)(F)F)cc1)c1ccc(COc2ccc(Cl)cc2Cl)o1 252614639 JLFVCDBDXQLBDS-UHFFFAOYSA-N 457.235 5.948 50 10 JKGE CCCCCCCCOc1ccc(-c2cc(C(=O)NN=Cc3c(C)[nH]c4ccccc34)[nH]n2)cc1 254411370 BXZOYINSQPXQGN-UHFFFAOYSA-N 471.605 6.370 50 10 JKGE Fc1ccc(Cl)c([C@@H](Br)c2cc(Br)sc2Br)c1 310174482 UTSDHIFGUNXKAS-SNVBAGLBSA-N 463.391 6.550 50 10 JKGE C[C@@]1(n2c(CCCl)nc3cc(Br)c(F)cc32)CCN(Cc2ccccc2)C1 405960258 OCSWMESJNZKYDI-OAQYLSRUSA-N 450.783 5.340 50 10 JKGE CC(C)(C)OC(=O)NCCN1CCC[C@H](c2cccc(CCO[Si](C)(C)C(C)(C)C)c2)C1 616619934 CSMAGVMEUDKRAU-QHCPKHFHSA-N 462.751 5.955 50 10 JKGE C[C@H](Br)[C@H]1CCCCN1C(=O)c1cc(Br)c(Br)s1 688853185 UBDZZZPUSYCMLN-IONNQARKSA-N 460.029 5.051 50 10 JKGE Fc1ccc([C@@H](Br)c2cc(Br)ccc2Br)c(F)c1Cl 689653500 RWXZVFNDRLIEJB-LLVKDONJSA-N 475.352 6.628 50 10 JKGE Cc1sc(Br)cc1[C@@H](Cl)c1scc(Br)c1Br 705407992 DVRYANQDGOQJRT-SECBINFHSA-N 465.457 6.734 50 10 JKGE C[C@H]1Cc2cc(Br)cc([C@@H](Br)c3csc(Br)c3)c2O1 720033171 NUUMRHGEIQWWSG-CPFSXVBKSA-N 467.020 6.081 50 10 JKGE Cl[C@H](c1ccc(I)c(Br)c1)c1cccc2ccccc12 721612233 ICKFGTFRGBYWPG-QGZVFWFLSA-N 457.536 6.535 50 10 JKGE Cc1nn(Cc2ccccc2Cl)c(C)c1C=NNC(=O)[C@H](C)c1ccc(CC(C)C)cc1 1084057791 YXYNTVAHVIQLFE-GOSISDBHSA-N 451.014 5.654 50 10 JKGE Cc1cc(C=NNC(=O)C(=O)Nc2ccc(Cl)c(Cl)c2)c(C)n1-c1ccc(Cl)cc1 1084177286 BUXOFLLJIXXWJU-UHFFFAOYSA-N 463.752 5.143 50 10 JKGE CCOc1ccc([C@@H](O)CCC(=O)NN=Cc2cc(C)n(-c3cccc(Br)c3)c2C)cc1 1084195316 IQWAFLJTNKMFLF-DEOSSOPVSA-N 498.421 5.219 50 10 JKGE Cc1cc(C=NNC(=O)c2cc3ccccc3o2)c(C)n1-c1cccc(I)c1 1084454831 LVRKBFKIEKHRFL-UHFFFAOYSA-N 483.309 5.209 50 10 JKGE Cc1cccc(NC(=O)/C(C#N)=C\c2ccccc2OCc2ccc(Cl)cc2Cl)c1C 1084494793 PEDFSTXDVGITAZ-NDENLUEZSA-N 451.353 6.735 50 10 JKGE CCc1ccc(OC(=O)c2oc3c(c2C)C(=NNC(=O)Cc2coc4c(C)c(C)ccc24)CCC3)cc1 1772752004 RCERAJCGWUMFBI-UHFFFAOYSA-N 498.579 6.132 50 10 JKGE Cc1cc(C)c2c(CC(=O)NN=C3CCCc4oc(C(=O)Nc5ccccc5C)c(C)c43)coc2c1 1772752087 UIDATGOGXUGNRG-UHFFFAOYSA-N 483.568 5.911 50 10 JKGE CCCCCCOc1ccc(C=NNC(=O)COc2cc(Cl)ccc2Cl)cc1OC 1772754702 QHMVCYHSSPOFSP-UHFFFAOYSA-N 453.366 5.490 50 10 JKGE Cc1c(C(=O)Nc2cccc3c(OC(=O)Nc4ccc(SC#N)cc4)cccc23)cccc1[N+](=O)[O-] 1858780053 WMFKZPAEVUGPDR-UHFFFAOYSA-N 498.520 6.493 50 10 JKGE N#CSc1ccc(NC(=O)c2cccc(NC(=O)C(c3ccccc3)c3ccccc3)n2)cc1 1860552876 ZGZDLHYJNQHLAD-UHFFFAOYSA-N 464.550 5.678 50 10 JKGE C=CCOc1ccccc1[C@H]1C(C#N)=C(N)Oc2c1c(-c1ccccc1)nn2Cc1ccc(C)cc1 1865691321 PJFNNGIQZHFDOW-SANMLTNESA-N 474.564 5.690 50 10 JKGE CCCc1nn(CCC)c2c1[C@H](c1ccc(OCc3ccc(Cl)cc3)cc1)C(C#N)=C(N)O2 1865695804 UBUSXMOQYOMXQD-HSZRJFAPSA-N 462.981 5.696 50 10 JKGE COc1ccc(-c2nn(Cc3cc(C)ccc3C)c3c2[C@@H](c2ccco2)C(C#N)=C(N)O3)cc1 1865698340 QKWPZZAICKXDIM-HSZRJFAPSA-N 452.514 5.035 50 10 JKGE CCOc1cc([C@H]2C(C#N)=C(N)Oc3c2c(C)nn3-c2ccccc2)ccc1OCc1ccccc1C 1865702747 DKRCIAHSQZIXMQ-NDEPHWFRSA-N 492.579 5.685 50 10 JKGE Cc1nn(Cc2c(F)cccc2Cl)c2c1[C@H](c1ccc(Br)cc1)C(C#N)=C(N)O2 1865714053 BMWMBILLQIFAPU-LJQANCHMSA-N 473.733 5.013 50 10 JKGE CC(C)[C@H](C(=O)N[C@@H](C)C(=O)Nc1ccc(SC#N)cc1)c1ccc(Cl)c(Cl)c1 1866984306 IJXZKHQQYLFBFR-DJJJIMSYSA-N 450.391 5.450 50 10 JKGE COC(=O)c1ccc2c(O)nc(/C(C#N)=C/c3ccccc3OCc3ccccc3Cl)nc2c1 1872727725 WDCFIDKHOURWEY-XDHOZWIPSA-N 471.900 5.419 50 10 JKGE CCCCc1ccc(-c2csc(/C(C#N)=C(\O)c3ccc4c(c3)C(=O)N(CC(C)C)C4=O)n2)cc1 1872744802 IXAZZHFEMRXWQO-BZZOAKBMSA-N 485.609 6.355 50 10 JKGE CCCCc1ccc(-c2csc(/C(C#N)=C(\O)[C@@H]3CC(=O)N(Cc4ccccc4)C3)n2)cc1 1872744848 LDQCMRMGQOEUMO-BQSZEUOTSA-N 457.599 5.994 50 10 JKGE CC(C)Oc1ccc(/C=C(C(/O)=C(\C#N)c2nc(-c3cccc(Cl)c3)cs2)\c2ccccc2)cc1 1872748168 LKPAUQDIJJWZPU-TYOAKIJPSA-N 499.035 8.284 50 10 JKGE Cc1cc(-c2csc(/C(C#N)=C(\O)CCCOc3ccc(C(C)(C)C)cc3)n2)ccc1F 1872750095 WKHNLTMJZWFRNJ-FLFQWRMESA-N 450.579 7.207 50 10 JKGE COc1cc(C)c(-c2csc(/C(C#N)=C/c3ccc(OCCc4ccccc4)c(OC)c3)n2)cc1C 1872794753 UYHMNPNGBVPMAQ-LFVJCYFKSA-N 496.632 7.130 50 10 JKGE CC(C)(C)OC(=O)NCCCCCC(=O)N/N=C/c1cccc(OCc2cccc(Cl)c2)c1 1873792639 JVHYNCPZLFRSNQ-OGLMXYFKSA-N 474.001 5.454 50 10 JKGE BrC[C@H]1CN(Cc2cccc(Br)c2Br)CC12CCC2 1914528076 DDNGIIQSUTXPTG-LBPRGKRZSA-N 452.028 5.209 50 10 JKGE Cc1c(Br)sc([C@H](Br)[C@@H]2CC3CCC2CC3)c1Br 1922945399 FXBJDOAKQGJYKU-PQFJONNWSA-N 457.069 6.844 50 10 JKGE CC[C@@H](CC(F)(F)F)[C@H](Br)c1c(Br)sc(Br)c1Cl 1923049036 JQNKQCNTXIKVQU-NJGYIYPDSA-N 493.408 7.341 50 10 JKGE CC[C@@H](CC(F)(F)F)[C@@H](Br)c1c(Br)sc(Br)c1Cl 1923049037 JQNKQCNTXIKVQU-UJURSFKZSA-N 493.408 7.341 50 10 JKGE Clc1c(Br)sc(Br)c1[C@@H](Br)C[C@@H]1CCCO1 1923067733 HPDZNPPCRDIVMR-WDSKDSINSA-N 453.421 5.932 50 10 JKGE Clc1c(Br)sc(Br)c1[C@@H](Br)c1cccs1 1923068552 TWHDURQGKJOKFA-LURJTMIESA-N 451.430 6.472 50 10 JKGE C[C@@H](c1ccncc1Br)[C@@H](Cl)c1cc(Br)ccc1Br 1924042479 AFDBHMUPUAHNOX-RMLUDKJBSA-N 468.414 6.453 50 10 JKGE Cl[C@H](c1c(Br)sc(Br)c1Br)C1CC2(CCOC2)C1 1924570706 MATLAJIGPRBDMY-HTARLIKDSA-N 479.459 6.132 50 10 JKGE Brc1sc(Br)c([C@H](Br)[C@@]23CCC[C@H]2C3)c1Br 1924609058 RMBZITUYGDOMQY-HCPJGSBBSA-N 493.884 6.662 50 10 JKGE CC1(CC[C@H](Br)c2c(Br)sc(Br)c2Br)CC1 1924613431 IULAMRBJBUAFAX-LURJTMIESA-N 495.900 7.052 50 10 JKGE Fc1cc(Br)c(Cl)cc1[C@H](Br)c1sncc1Br 1941498588 KEVYLUGLSJDQOS-VIFPVBQESA-N 464.379 5.945 50 10 JKGE CO[C@@H]1CC[C@H]([C@H](Cl)c2c(Br)sc(Br)c2Br)C1 2006341268 RQQDKRNKHDTFRD-MYINAIGISA-N 467.448 6.131 50 10 JKGE COc1ccc([C@@H](Br)c2sc(Br)cc2Br)c(Cl)c1 2047272802 UJWCEJIYNYFGES-LLVKDONJSA-N 475.427 6.419 50 10 JKGE Cc1c(Br)sc([C@@H](Cl)c2c(Cl)cccc2Br)c1Br 2050321086 YBJLGFRZUMGHLM-JTQLQIEISA-N 493.873 7.326 50 10 JKGE N#CC(=Cc1ccc(Cl)cc1)c1nc(-c2ccc(-c3ccc(Cl)cc3Cl)o2)cs1 2053528136 FDXNRDDSWJBSSU-UHFFFAOYSA-N 457.769 8.094 50 10 JKGE Cc1c(Br)sc([C@H](Br)C2(CC(F)(F)F)CC2)c1Br 2056618479 HAGRAXJPZBFQCA-QMMMGPOBSA-N 470.974 6.750 50 10 JKGE CC(C)(C)N(Cc1ccccc1)S(=O)(=O)c1ccc(Cl)c(CBr)c1Cl 2059291455 LEVKHWWFJULJGR-UHFFFAOYSA-N 465.240 5.878 50 10 JKGE FC(F)(C1CCOCC1)[C@@H](Br)c1sc(Br)cc1Br 2065618865 SDCWSFWGWFFYSR-JTQLQIEISA-N 468.983 5.771 50 10 JKGE COCc1ccc([C@H](Br)c2cc(Br)sc2Br)cc1 2071270230 JZQGVEGZTWGJCJ-LBPRGKRZSA-N 455.009 5.904 50 10 JKGE CCc1sc(Br)cc1[C@@H](Br)c1c(Br)c(C)nn1C 2072300554 MNWAENUUJQTXPZ-LLVKDONJSA-N 457.029 5.362 50 10 JKGE CN(C[C@@H]1C[C@H]1Br)C(=O)c1cc(Cl)c(NC(=O)OC(C)(C)C)c(Cl)c1 2076220169 IVAQRBAFFXLGFR-WDEREUQCSA-N 452.176 5.196 50 10 JKGE CCCOc1ccc(-c2csc([C@H](C#N)C(=O)C(C#N)=Cc3ccccc3)n2)cc1OCCC 2084351761 FQYPQYZXIPKAFX-JOCHJYFZSA-N 471.582 6.171 50 10 JKGE Cn1nc(COc2cccc(CBr)c2Br)c(Br)c1Cl 2096685235 XMUARCGBNOTLJQ-UHFFFAOYSA-N 473.390 5.072 50 10 JKGE Cn1cc(COc2c(Br)cc(CBr)cc2Br)c(Cl)n1 2111946365 MDYMUDCPXNOOPB-UHFFFAOYSA-N 473.390 5.072 50 10 JKGE BrC[C@@]1(Cc2cc(Br)ccc2Br)CCCC12CCC2 2118529076 TXZDJKAWFBAWKW-INIZCTEOSA-N 451.040 6.490 50 10 JKGE Cc1nccc2c1nc([C@H](C)Cl)n2CC1(N(Cc2ccccc2)Cc2ccccc2)COC1 2126954667 TZERAYDQFRARJV-FQEVSTJZSA-N 461.009 5.511 50 10 JKGE CC(F)(F)c1ccc([C@@H](Br)c2cc(Br)sc2Br)cc1 2128391526 XQYPLGBGWRNTGF-LLVKDONJSA-N 474.990 6.869 50 10 JKGE Cc1cc(Br)c(C)c([C@@H](Cl)c2cc(Cl)sc2Cl)c1Br 2136369665 FKAJIMKNJRSNDQ-LBPRGKRZSA-N 463.449 7.525 50 10 JKGE Cc1cc(Br)c(C)c([C@H](Br)[C@@H]2C[C@H]2CC(C)C)c1Br 2136384891 VMWLBLMFRDSDSV-XHBSWPGZSA-N 453.056 6.947 50 10 JKGE CCN(C[C@](C)(CI)O[C@@H]1CCC[C@@H]2CCCC[C@H]21)C(=O)OC(C)(C)C 2136423305 LZUHBLCFRFMAPN-OOSNJVJTSA-N 479.443 5.813 50 10 JKGE Cc1c(Br)ccc([C@@H](Br)C2CCC3(CC2)CC3)c1Br 2138865315 MOWKUGZUKIHEHR-HNNXBMFYSA-N 451.040 6.926 50 10 JKGE Cc1cc(Br)c(CBr)c(N2CCc3c(Br)cccc32)c1 2173444878 OQPXKFMWEDLWOF-UHFFFAOYSA-N 460.007 6.109 50 10 JKGE C[C@@]1(CC(CBr)(CBr)c2cccc(Br)c2)CSCCO1 2201228207 PJBXLGJJYIDLEA-CQSZACIVSA-N 487.095 5.389 50 10 JKGE Fc1cc(Br)c([C@@H](Br)Cc2ccc(Br)cc2)c(F)c1Cl 2201618831 LKBHXOZAEZZTEM-VIFPVBQESA-N 489.379 6.822 50 10 JKGE COc1ccc([C@@H](Cl)c2ccc(Br)c(C)c2Br)cc1Br 2203687566 XKNNWSGZEAILBU-OAHLLOKOSA-N 483.425 6.619 50 10 JKGE BrCCCC#Cc1sc(Br)c(Br)c1Br 2209975159 COZNLJMWVBMXCS-UHFFFAOYSA-N 465.830 5.562 50 10 JKGE Cc1ccc([C@H](Br)c2cc(Cl)ccc2Cl)cc1I 2217861357 REACQKSFLWUEER-AWEZNQCLSA-N 455.948 6.391 50 10 JKGE Cc1sc(Br)c([C@@H](Br)c2sc(Br)c(C)c2C)c1C 2218783666 YEUGQQQUTHYUFM-SNVBAGLBSA-N 473.093 7.053 50 10 JKGE Cc1c(Br)sc([C@H](Br)c2ccc(F)c(Br)c2)c1C 2218788620 DPRNVAYDPZLSLD-LLVKDONJSA-N 457.000 6.513 50 10 JKGE Cc1cc([C@@H](Br)c2sc(Br)c(C)c2C)ccc1Br 2218789970 KCKZNRUFUWZDJM-GFCCVEGCSA-N 453.037 6.683 50 10 JKGE Cc1cc(Cl)c(Br)cc1[C@@H](Br)c1sc(C)c(Br)c1C 2226077959 KILLDVVPLXGXDP-CYBMUJFWSA-N 487.482 7.336 50 10 JKGE FC1(F)[C@H]([C@@H](Br)c2c(Br)cc(Cl)c(Cl)c2Cl)C12CCC2 2232530939 WQJUTGSPYIEZMB-GZMMTYOYSA-N 469.378 7.281 50 10 JKGE CCOCc1cc(Br)c([C@@H](Cl)Cc2ccccc2I)s1 2233016997 WWGFYRWOBUYUQE-ZDUSSCGKSA-N 485.612 6.174 50 10 JKGE CCOCc1cc(Br)c([C@H](Cl)c2ccc(Br)cc2Cl)s1 2233035463 LMBHVZBXWTVNNU-CYBMUJFWSA-N 459.030 6.791 50 10 JKGE Cc1cc(Br)c([C@@H](Br)c2c(F)cccc2F)c(C)c1Br 2235602069 CEKFSMJFHXKSND-OAHLLOKOSA-N 468.961 6.591 50 10 JKGE Cc1cc(Br)c([C@H](Br)[C@H]2CCCC(C)(C)C2)c(C)c1Br 2235602707 FBEKBCXQNACPQH-BLLLJJGKSA-N 467.083 7.481 50 10 JKGE C[C@@](CI)(O[C@H]1CCCC(F)(F)C1)c1ccccc1Br 2238670807 BECVYKIMZYNMMQ-FZMZJTMJSA-N 459.112 5.694 50 10 JKGE Cc1cc(Cl)c(Cl)cc1[C@@H](Br)c1cc(Br)c(Br)s1 2253408824 KUZDZLFQXBVPGJ-LLVKDONJSA-N 493.873 7.373 50 10 JKGE ClCc1c(Br)cccc1Oc1cc(I)ccc1Cl 2259930601 RLTTUPHUANUUHW-UHFFFAOYSA-N 457.920 6.238 50 10 JKGE C[C@]1([C@H](Br)c2c(F)cc(Br)c(F)c2Br)CCCCO1 2272843993 BOQGGTPXWQIGSH-CHWSQXEVSA-N 462.954 5.885 50 10 JKGE COc1cc(C)c(Cl)cc1[C@H](Br)c1cc(Br)sc1Br 2277988515 BCNRRIJAQOSFGQ-LBPRGKRZSA-N 489.454 6.728 50 10 JKGE Cc1cc([C@@H](Br)c2cc3sc(Br)cc3s2)ccc1Br 2278016754 CDLQBWHQAROEHQ-CQSZACIVSA-N 481.072 7.281 50 10 JKGE CCn1ncc(Br)c1[C@@H](Br)c1c(Br)cc(C)c(F)c1C 2279137024 KLJFOSPZTAYQET-LBPRGKRZSA-N 468.990 5.668 50 10 JKGE N#CC(=Cc1ccccc1Cl)C(=O)Nc1ccc(NC(=O)C(C#N)=Cc2ccccc2Cl)cc1 2293038403 AETZQXQYFNFTGV-UHFFFAOYSA-N 487.346 6.085 50 10 JKGE C=CCNC(=O)C(C#N)=Cc1ccc(OC(=O)C=Cc2ccc(OCc3ccccc3)cc2)c(OC)c1 2293198077 HAPYUPCCYWBXOG-UHFFFAOYSA-N 494.547 5.102 50 10 JKGE Brc1cc(Br)cc(C[C@H](Br)c2cc3c(s2)CCCC3)c1 2295346277 XOXQGEMMDIPIBY-AWEZNQCLSA-N 479.075 6.831 50 10 JKGE N#CC(=CNc1ccc(Br)cc1F)c1nc(-c2cccc(Br)c2)cs1 2296800559 FWBAMDRIIBLOJK-UHFFFAOYSA-N 479.172 6.451 50 10 JKGE COc1ccc(NC(=O)C(C#N)=Cc2cn(CCOc3ccc(Cl)c(C)c3)c3ccccc23)cc1 2296968903 YKCOYGNLRPPMBL-UHFFFAOYSA-N 485.971 6.236 50 10 JKGE CC[C@@H]1OCC[C@@H]1[C@H](Br)c1ccc(OCc2ccccc2)cc1Br 2299491438 AIYCTBYUACOLFH-YSIASYRMSA-N 454.202 6.279 50 10 JKGE C[C@H](C[C@@H](Br)c1ccc(OCc2ccccc2)cc1Br)C(C)(C)C 2299496540 NWORPDZKNWVUJW-DNVCBOLYSA-N 454.246 7.536 50 10 JKGE Brc1cc(OCc2ccccc2)ccc1[C@H](Br)[C@@H]1C[C@H]2CCC[C@H]21 2299511367 VIJIZKRHLLQMLH-WELBPKCISA-N 450.214 6.900 50 10 JKGE Brc1cc(OCc2ccccc2)ccc1[C@@H](Br)C[C@H]1C[C@H]2C[C@H]2C1 2299529901 HABXAFJLIZLCFW-LJCCNALRSA-N 450.214 6.900 50 10 JKGE FC1(F)C[C@@H](Br)[C@H](Cc2ccc(I)c(Br)c2)C1 2306217963 VQEQIMCSUNAGCQ-PSASIEDQSA-N 479.928 5.405 50 10 JKGE Cc1ccc(Cl)cc1NC(=O)C(C#N)=Cc1ccc(OCc2ccc(Cl)c(Cl)c2)cc1 2313670659 NOSIZBZVDLGRKK-UHFFFAOYSA-N 471.771 7.080 50 10 JKGE CCOc1cc(C=C(C#N)C(=O)Nc2cc(Cl)ccc2C)ccc1OCc1ccc(F)cc1 2313738446 DJUUJKSXQAEZSH-UHFFFAOYSA-N 464.924 6.311 50 10 JKGE Cc1cccn2c(=O)c(C=C(C#N)c3nc4ccccc4s3)c(Oc3ccccc3F)nc12 2314436829 LBNADSFOQUDCSG-UHFFFAOYSA-N 454.486 5.608 50 10 JKGE Cc1cccn2c(=O)c(C=C(C#N)c3nc4ccccc4s3)c(Oc3ccccc3Cl)nc12 2314436835 MNBZVRCTTRDOOR-UHFFFAOYSA-N 470.941 6.123 50 10 JKGE Cc1cc(C)cc(Oc2nc3c(C)cccn3c(=O)c2C=C(C#N)C(=O)Nc2ccccc2C)c1 2314531834 FGTGPPCJYUYTNS-UHFFFAOYSA-N 464.525 5.266 50 10 JKGE COc1ccc(N2C(=O)[C@H](Cc3ccc(C)c(C)c3)SC2=C(C#N)C(=O)Nc2ccccc2)cc1 2314592006 JNXPJLBYIIMCGP-VWLOTQADSA-N 483.593 5.377 50 10 JKGE CC(C)(C)c1ccc(C=CC(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@@H]3c2ccccc2F)cc1 2314634177 WZCFBWBLACMQMR-HHHXNRCGSA-N 468.528 5.960 50 10 JKGE CCCOc1ccc(C=C(C#N)C(=O)Nc2scc(-c3ccc(CC)cc3)c2C(=O)OC)cc1 2314761848 YJYFLEJDDSQTTJ-UHFFFAOYSA-N 474.582 6.099 50 10 JKGE FC(F)(F)c1csc([C@@H](Br)c2cnsc2Br)c1Br 2315638566 MTLUXCDJSXWVQZ-YFKPBYRVSA-N 485.970 6.233 50 10 JKGE C[C@@H](Oc1ccc(Cl)cc1Cl)C(=O)Oc1ccc(C=C(C#N)c2cccc(Cl)c2)cc1 2318356228 BJTMKSUXEIQBQH-OAHLLOKOSA-N 472.755 7.084 50 10 JKGE Fc1cc(Cl)c([C@H](Cl)c2sc(Br)cc2Br)c(Cl)c1 2318359031 NNXIQPBWEROHFQ-JTQLQIEISA-N 453.385 7.047 50 10 JKGE N#CC(C(=O)Cn1cnc2scc(-c3ccc4ccccc4c3)c2c1=O)=C1Nc2ccccc2S1 2320729534 CSOBYYMHWDWKFS-UHFFFAOYSA-N 492.585 5.800 50 10 JKGE Cc1nc(-c2ccc(Cl)cc2Cl)ccc1C(=O)NN=Cc1ccc(Cl)c(Cl)c1 2321242167 DYLMTZROMYLKFB-UHFFFAOYSA-N 453.156 6.435 50 10 JKGE Brc1cc(C[C@H]2[C@H]3CC[C@@H](C3)C[C@H]2Br)ccc1I 2325189508 LXWXIQRGYUXPLV-XYJRDEOASA-N 484.013 5.796 50 10 JKGE Cc1ccc(CBr)c(OCc2ccsc2Br)c1Br 2327796383 GOQNFPSAIYXCCU-UHFFFAOYSA-N 455.009 6.055 50 10 JKGE COc1ccc(-c2csc(C(C#N)=C(O)c3ccccc3C(=O)c3ccccc3)n2)cc1C 2331259110 MKDGZASQXBBQDG-UHFFFAOYSA-N 452.535 6.308 50 10 JKGE CC(C)c1ccc(-c2csc(C(C#N)=C(O)CCCOc3ccc(C(C)(C)C)cc3)n2)cc1 2331341745 OWQKROOIRFARHV-UHFFFAOYSA-N 460.643 7.883 50 10 JKGE CCOc1ccc(C=CC(O)=C(C#N)c2nc(-c3cc(C(C)(C)C)ccc3OC)cs2)cc1 2331350563 BUZUJTFJHWLJNP-UHFFFAOYSA-N 460.599 7.021 50 10 JKGE COc1c(Cl)cc(Cl)cc1-c1csc(C(C#N)=C(O)COc2cc(C)c(Cl)c(C)c2)n1 2331362603 GZVDGIHNJXDNHO-UHFFFAOYSA-N 495.815 7.267 50 10 JKGE Cc1cc(C)c(C)c(-c2csc(C(C#N)=C(O)COc3cc(Cl)ccc3Cl)n2)c1C 2331364630 SBMACFFTMMEAKI-UHFFFAOYSA-N 459.398 7.222 50 10 JKGE COc1ccc(Cl)cc1N1C[C@@H](C(O)=C(C#N)c2nc(-c3c(C)cc(C)cc3C)cs2)CC1=O 2331393977 PGKPULSISPHIDJ-KRWDZBQOSA-N 494.016 6.243 50 10 JKGE COc1c(Cl)cc(-c2csc(C(C#N)=C(O)COc3c(C)ccc(C)c3C)n2)cc1Cl 2331397453 DYPYXFZJOXKESV-UHFFFAOYSA-N 475.397 6.922 50 10 JKGE Cc1c(Br)ccc([C@@H](Br)[C@]23C[C@H](CO2)C3(C)C)c1Br 2334832323 WENGKUCJMXFAMQ-PKPZWWHKSA-N 453.012 5.771 50 10 JKGE CCc1nnsc1COc1c(Br)cc(CBr)cc1Br 2335913624 OYEVTAKXJDXMIV-UHFFFAOYSA-N 471.012 5.099 50 10 JKGE COC1CC(C[C@@H](Br)c2c(Cl)cc(Br)c(F)c2Br)C1 2337084244 JFOUIZZZBBYYKL-KAVNDROISA-N 479.409 6.255 50 10 JKGE Cc1cc(Br)c(F)c(Br)c1[C@@H](Cl)c1cc(Cl)c(Cl)s1 2339685239 RHFHZHBPOVKVLT-JTQLQIEISA-N 467.412 7.356 50 10 JKGE Fc1cc(Br)c(Br)cc1[C@H](Br)C[C@@H]1CC[C@@H]1C1CC1 2342171560 DBJFDCVGRQZAFY-HOSYDEDBSA-N 455.003 6.613 50 10 JKGE Clc1ccc(I)cc1CC[C@@H](Br)c1ccccc1Cl 2352431168 DGMAWZQVEMBSOE-CYBMUJFWSA-N 469.975 6.667 50 10 JKGE Cc1cc(I)c(Oc2ccc(CBr)cc2C#N)cc1Cl 2361709114 CUVAGQDNAWGHCK-UHFFFAOYSA-N 462.512 5.812 50 10 JKGE CO[C@@H]1CCC[C@H]([C@H](Br)c2c(Cl)cc(Br)c(F)c2Br)C1 2362232969 ULWVAHLWGKHZKZ-SXMVTHIZSA-N 493.436 6.645 50 10 JKGE Cc1cc(Br)c(F)c(Br)c1[C@H](Br)[C@H]1CCCCC1(C)C 2365216111 QRQSWBLPCUNLBF-ZWNOBZJWSA-N 471.046 7.312 50 10 JKGE Cc1cc(Br)c(F)c(Br)c1[C@@H](Br)[C@H]1OCCOC1(C)C 2365225729 MPLBYTKYUHSARQ-DGCLKSJQSA-N 474.990 5.289 50 10 JKGE Clc1ccc(CN2CCC[C@@]3(CBr)CCC[C@@H]23)c(I)c1 2366700449 XQYZIUOCIOJWGD-HZPDHXFCSA-N 468.604 5.474 50 10 JKGE CC[C@@](CCl)(Cc1ccc(I)c(Br)c1)c1ccccc1 2377334285 IKCVUEXUXYGFCC-KRWDZBQOSA-N 463.584 6.183 50 10 JKGE CC(C)c1ccc(-c2csc3nc(SCC(=O)N/N=C/c4ccccc4)[nH]c(=O)c23)cc1 9043040 KZSLHFSFGLMWHW-BRJLIKDPSA-N 462.600 5.017 50 10 JKGE N#C/C(C(=O)CN1CCC(Cc2ccccc2)CC1)=C1\NC(c2ccc(Br)cc2)=CS1 12488886 NHXPRZXCCVUIJU-LVWGJNHUSA-N 494.458 5.343 50 10 JKGE Cn1c(/C(C#N)=C\c2cn(-c3ccccc3)nc2-c2ccc3c(c2)OCCO3)nc2ccccc21 15226413 UADCKCYRNRHCFO-HKWRFOASSA-N 459.509 5.261 50 10 JKGE CC(=O)Nc1sc(/C(C#N)=C\c2ccc(I)cc2)nc1-c1ccc(C)cc1 33555995 VGHCZKDPSAEIPZ-BOPFTXTBSA-N 485.350 5.746 50 10 JKGE CC[C@H](C)c1ccc(OCCn2c(C)c(/C=C(/C#N)c3ccc([N+](=O)[O-])cc3)c3ccccc32)cc1 33664896 OBVFCKHQJNOWAT-XKCZREFCSA-N 479.580 7.515 50 10 JKGE CCCCOC(=O)c1ccc(-c2ccc(/C=C(\C#N)C(=O)Nc3c(C)cc(C)cc3C)o2)cc1 35145462 RTLSAFGJGNYUMZ-XQNSMLJCSA-N 456.542 6.374 50 10 JKGE CCOc1ccc(NC(=O)/C(C#N)=C\c2cn(-c3ccccc3)nc2-c2cc3ccccc3o2)cc1 35374684 RRQWKYVQCFVWCU-PGMHBOJBSA-N 474.520 6.230 50 10 JKGE CC(C)c1ccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4ccc(C(C)(C)C)cc4)ccc32)cc1 38649370 NUIMZBVOWFTWGD-HHHXNRCGSA-N 466.581 6.545 50 10 JKGE C=CCOc1cccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)COc4ccc(CC)cc4)ccc32)c1 38684594 OXLRMRDJAOWHDN-NDEPHWFRSA-N 482.536 5.016 50 10 JKGE CCOc1ccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4cccc5ccccc45)ccc32)cc1 38685864 RAHLUAJFXADGJU-HHHXNRCGSA-N 462.505 5.676 50 10 JKGE CCc1ccc(Oc2nc3c(C)cccn3c(=O)c2/C=C(/C#N)C(=O)Nc2cccc(Cl)c2)cc1 39858652 AVNSSBURFMZQPF-RGEXLXHISA-N 484.943 5.557 50 10 JKGE Cc1ccc(C(=O)N/N=C2\CCCc3oc(C(=O)Nc4cccc(Cl)c4Cl)c(C)c32)cc1 40804680 VZYZOZPRTVSFOA-OGLMXYFKSA-N 470.356 5.926 50 10 JKGE Cc1c(C(=O)NC(C)(C)C)oc2c1/C(=N/NC(=O)C(c1ccccc1)c1ccccc1)CCC2 40815446 DKLASFVYUUQWPR-MWAVMZGNSA-N 457.574 5.105 50 10 JKGE CCCCCCOc1ccc(/C=C(\C#N)C(=O)Nc2ccccc2OCCCC)cc1OC 40859433 IEQUCBBTMSTKFD-RELWKKBWSA-N 450.579 6.379 50 10 JKGE N#C/C(=C/c1cc(Br)ccc1OCc1ccccc1)S(=O)(=O)c1ccc(F)cc1 96021821 GYKUZYXAFSNPLO-BKUYFWCQSA-N 472.335 5.506 50 10 JKGE CCOC(=O)/C(C#N)=C\c1cc(Br)ccc1OCCOc1cc(C)ccc1C(C)C 96488868 YJWDSZVZQFFUGQ-UYRXBGFRSA-N 472.379 5.809 50 10 JKGE COc1cc(/C=C(/C#N)c2ccc(Cl)cc2)c(Br)cc1OCc1ccc(Cl)cc1 96936252 NXVDXIVSUFWBGF-ZDLGFXPLSA-N 489.196 7.408 50 10 JKGE N#C/C(=C/c1c(Oc2ccc(Cl)cc2)nc2ccccn2c1=O)c1nc2ccccc2s1 97492649 AWEFFRJHMKVDJQ-SQFISAMPSA-N 456.914 5.814 50 10 JKGE CCOC(=O)c1c(-c2ccc(OC)cc2)csc1NC(=O)/C(C#N)=C\c1ccc(N(C)C)cc1 102664406 NHGWZMKCBUQKMH-RGEXLXHISA-N 475.570 5.212 50 10 JKGE FC(F)(F)c1ccc([C@@H](Br)c2cc(Br)c(Br)s2)cc1 128292634 GTDMZNHMFQQTHV-SNVBAGLBSA-N 478.953 6.776 50 10 JKGE CCOP1(OCC)=NP(OCC)(OCC)=NP(c2ccccc2)(c2ccccc2)=N1 139385422 IICSXWYAQNICNF-UHFFFAOYSA-N 469.399 6.806 50 10 JKGE CCCOc1ccc([C@@H](Br)Cc2cccc(Br)c2)cc1Br 229004665 SUEUWNUETFUWOQ-HNNXBMFYSA-N 477.034 6.679 50 10 JKGE O=C(N[C@H](CBr)Cc1ccccc1)c1cc(Br)sc1Br 232455442 AZFVMENWTDYYFN-JTQLQIEISA-N 482.035 5.009 50 10 JKGE COc1ccc([C@H](Br)c2cc(Cl)ccc2I)c(C)c1 234994143 PGRSVVSEZVFUCE-HNNXBMFYSA-N 451.529 5.746 50 10 JKGE Fc1ccc(C[C@H](Cl)c2cc(Br)ccc2I)c(F)c1 236176173 RDMBRJPZVWVLTK-LBPRGKRZSA-N 457.483 5.855 50 10 JKGE Cc1ccc(-c2nnc(SCC(=O)NN=C/C=C/c3ccccc3[N+](=O)[O-])n2-c2ccccc2)cc1 254771703 ZZTZUVHRBANHKQ-UQIKAPIFSA-N 498.568 5.058 50 10 JKGE COc1ccc(Br)cc1[C@@H](Br)c1cc(Br)c(C)s1 310629012 LZUUDNTXSNRSIJ-CYBMUJFWSA-N 455.009 6.074 50 10 JKGE BrCC(CBr)(Cc1ccccc1)Cc1ccc(Br)o1 378967577 CSNYQYAKUXBGJT-UHFFFAOYSA-N 450.996 5.604 50 10 JKGE Fc1cc([C@H](Br)c2cc(Br)ccc2Br)c(F)c(F)c1F 395614330 MSJHPJDMGRZTGK-SNVBAGLBSA-N 476.887 6.252 50 10 JKGE Fc1cc(Br)cc([C@H](Br)c2ccc(F)c(Br)c2F)c1 691637352 VABNJWOHQZLANZ-NSHDSACASA-N 458.897 6.113 50 10 JKGE Brc1ccsc1[C@H](Br)c1scc(Br)c1Br 705411630 ZDBSXAJMGGETGO-ZETCQYMHSA-N 495.881 6.581 50 10 JKGE C[C@@]12CN(Cc3ccccc3)C[C@@]1(C)CN(c1cccc(Br)c1CBr)C2 705963763 VPVVVXXRIOEEAB-VXKWHMMOSA-N 478.272 5.692 50 10 JKGE O=C(NC1(CCl)CCCCCC1)c1ccc(I)c(Br)c1 721590964 BGDVTLVSMIQBGH-UHFFFAOYSA-N 470.576 5.115 50 10 JKGE CCOc1cc(/C=C(\C#N)C(=O)Nc2ccccc2C)ccc1OCc1ccc(Br)cc1 1083930853 HJFOWPLPSIYHCU-KGENOOAVSA-N 491.385 6.281 50 10 JKGE COc1cc(C=NNC(=O)CC[C@@H](O)c2ccccc2)ccc1OCc1ccc(Br)cc1 1084097634 XPVUWTBECDUAQK-JOCHJYFZSA-N 497.389 5.001 50 10 JKGE C[C@@H](Oc1ccc(Cl)cc1Cl)C(=O)NN=C1C(=O)N(C/C=C\c2ccccc2)c2ccccc21 1084114614 NISFBTQCGGONKD-QTXIEOKESA-N 494.378 5.341 50 10 JKGE Cc1ccccc1C(=O)NN=C1CCCc2oc(C(=O)Nc3ccc(Cl)cc3Cl)c(C)c21 1772744571 ZSJWCKJFRRNRAB-UHFFFAOYSA-N 470.356 5.926 50 10 JKGE CCCCOc1ccc(NC(=O)c2oc3c(c2C)C(=NNC(=O)c2cccc(C)c2)CCC3)cc1 1772745387 ZRSWLKMVULVHOF-UHFFFAOYSA-N 473.573 5.798 50 10 JKGE O=C(CSc1nc2ccccc2[nH]1)NN=Cc1ccc(OCc2cccc(Cl)c2)cc1 1772760563 UZIUAYIORPDQQV-UHFFFAOYSA-N 450.951 5.038 50 10 JKGE CCCCCOc1ccc([C@@H]2C(C#N)=C(N)Oc3c2c(CC)nn3CC(C)C)cc1OCC 1865690996 GWUUJCHJYHRLMM-HSZRJFAPSA-N 452.599 5.287 50 10 JKGE CCCOc1ccc([C@H]2C(C#N)=C(N)Oc3c2c(-c2ccc(OC)cc2)nn3-c2ccccc2)cc1 1865692743 FSCAFEHEVCWHRI-VWLOTQADSA-N 478.552 5.555 50 10 JKGE CCOc1ccc([C@@H]2C(C#N)=C(N)Oc3c2c(CC)nn3Cc2ccc(Cl)c(Cl)c2)cc1OC 1865695178 MAGLUXPHLJHEBT-JOCHJYFZSA-N 499.398 5.426 50 10 JKGE COc1ccc(-c2nn(-c3ccc(Cl)c(Cl)c3)c3c2[C@@H](c2ccccn2)C(C#N)=C(N)O3)cc1 1865699809 CWNRSAOCBQRMKS-OAQYLSRUSA-N 490.350 5.468 50 10 JKGE Cc1nn(-c2ccccc2)c2c1[C@H](c1ccccc1OCc1ccccc1Cl)C(C#N)=C(N)O2 1865702814 FXFLSFYQUROIQN-RUZDIDTESA-N 468.944 5.631 50 10 JKGE CCCn1nc(C(F)(F)F)c2c1OC(N)=C(C#N)[C@@H]2c1cccc(OC)c1OCc1cccc(C)c1 1865706348 ULBNONRKLHVKTF-FQEVSTJZSA-N 498.505 5.426 50 10 JKGE COc1ccc(-c2c(C(F)(F)F)oc3cc(OCc4cccc(CCl)c4)ccc3c2=O)cc1 1871437237 NTNJAMDKINHSLI-UHFFFAOYSA-N 474.862 6.805 50 10 JKGE N#C/C(=C(O)\C=C/c1ccc2c(c1)OCCO2)c1nc(-c2ccc(-c3ccccc3)cc2)cs1 1872743854 PIRZKZXLSWPTNG-ABAFYVDZSA-N 464.546 6.754 50 10 JKGE CCCCc1ccc(N2C[C@H](/C(O)=C(\C#N)c3nc(-c4ccc(Cl)cc4)cs3)CC2=O)cc1 1872748448 XRDGLXBNHYRZKU-IPQBESIJSA-N 478.017 6.652 50 10 JKGE COc1cc(Br)cc(/C=C(\C#N)c2nc(-c3c(C)cc(C)cc3C)cs2)c1O 1872794231 QBXNMBUZTNFULW-FRKPEAEDSA-N 455.377 6.276 50 10 JKGE Fc1ccsc1[C@H](Br)c1cc(Br)ccc1OCc1ccccc1 1899892658 LSERNCXTFMPGMJ-QGZVFWFLSA-N 456.174 6.713 50 10 JKGE C[C@@H](CBr)N(Cc1ccccc1)C(=O)c1cc(Br)cc(Br)c1 1914230871 ZPTIZFBBRXPSRH-LBPRGKRZSA-N 490.033 5.637 50 10 JKGE Fc1ccc(Br)c(F)c1CN(Cc1ccccc1)[C@@H](CBr)C1CC1 1915215385 CKSPVERZLIKSQI-SFHVURJKSA-N 459.172 5.903 50 10 JKGE O=C(c1ccc(Br)cc1O)N(Cc1ccccc1)C1(CBr)CCC1 1915757097 UCMHOLVYTBUNAI-UHFFFAOYSA-N 453.174 5.115 50 10 JKGE CN(Cc1ccc(Cl)cc1Br)C[C@@H](Br)COCc1ccccc1 1916333068 OGYBLGAAVWPEEF-MRXNPFEDSA-N 461.625 5.515 50 10 JKGE Cc1c(Br)sc([C@H](Br)c2cnc(Cl)n2C)c1Br 1922906151 GZSATGPGRQSEMM-SSDOTTSWSA-N 463.420 5.453 50 10 JKGE Clc1cccc(Cl)c1[C@H](Br)c1sc(Br)cc1Br 1922936494 VUKIXZGYOAGYRE-JTQLQIEISA-N 479.846 7.064 50 10 JKGE Clc1c(Br)sc(Br)c1[C@H](Br)C(C1CCC1)C1CCC1 1923068689 VIXJGYWKWYLWJX-LLVKDONJSA-N 491.514 7.579 50 10 JKGE Cc1cc([C@@H](Cl)c2c(Br)sc(Br)c2Br)cc(C)c1F 1924609296 VMPGLFCXHDERIA-SNVBAGLBSA-N 491.445 7.120 50 10 JKGE Brc1cc(Br)c([C@@H](Br)c2csnc2Br)s1 1925271585 RRGDDZUTPPCILX-LURJTMIESA-N 496.869 5.976 50 10 JKGE Clc1c(Br)sc(Br)c1[C@H](Br)C[C@@]12CCC[C@H]1C2 2010968385 NWLWQAZFRJDMGR-KJNMHVQDSA-N 463.460 6.943 50 10 JKGE Cc1c(Br)ccc([C@@H](Cl)c2csc(Br)c2)c1Br 2024278892 IBSIHVJSHYEUFD-LBPRGKRZSA-N 459.428 6.672 50 10 JKGE Brc1cc2c(cc1[C@@H](Br)c1sncc1Br)CCO2 2028525172 QSCAMFWSGJKRFS-LLVKDONJSA-N 453.981 5.087 50 10 JKGE Cc1cc(CCl)cc(S(=O)(=O)N(CCN(C)Cc2ccccc2)Cc2ccccc2)c1C 2034749461 JCNPFOWMYWKELI-UHFFFAOYSA-N 471.066 5.365 50 10 JKGE ClCc1ccc(Br)cc1OCc1cccc(Br)c1Br 2092332685 ISNJSQNXXMPHMP-UHFFFAOYSA-N 469.398 6.292 50 10 JKGE CCc1nn(-c2cc(Br)ccc2CBr)c(CC)c1Br 2093297124 ZEGFCPLIDJFZCD-UHFFFAOYSA-N 451.000 5.417 50 10 JKGE C[C@H](Br)c1ccccc1NC(=O)c1csc(Br)c1Br 2093944429 KDYAHJDQTKRSEC-ZETCQYMHSA-N 468.008 5.981 50 10 JKGE COc1ccc([C@@H](Cl)c2cscc2OCc2ccccc2)c(OC)c1Br 2100091067 GISCFYCVTQQOFD-LJQANCHMSA-N 453.785 6.435 50 10 JKGE CC(C)(C)OC(=O)N1CC[C@H]([S@](C)(=O)=NCCCCCCCCCBr)C1 2106785331 OSNHAWXORSTCBA-QLXKLKPCSA-N 453.487 5.219 50 10 JKGE BrC[C@@H]1C[C@@H]2CCC[C@H]2N1Cc1c(Br)cccc1Br 2108394583 PEMLHYWMVPIFMF-ZIBATOQPSA-N 452.028 5.350 50 10 JKGE Cc1cc(Br)c(C)c([C@H](Br)C[C@@H](C)C(F)(F)F)c1Br 2136367004 MYBOCKFLDGKIAH-GMSGAONNSA-N 466.961 6.853 50 10 JKGE COc1cc(F)c([C@H](Cl)c2scc(Br)c2Br)cc1Br 2138161360 PPGYYYULEATDKI-NSHDSACASA-N 493.417 6.512 50 10 JKGE O=C(c1cccc(Br)c1Br)N(CCBr)c1ccccc1 2148752468 UFIBZXDXWJFLEY-UHFFFAOYSA-N 461.979 5.253 50 10 JKGE Brc1ccc(CC[C@H](Br)CN2CCCCCC2)c(Br)c1 2155644506 SGXNRNRTBLBQHO-HNNXBMFYSA-N 468.071 5.784 50 10 JKGE C[C@H]1CN(Cc2ccccc2)CC[C@@H]1n1c(CCl)nc2cc(Br)c(Cl)cc21 2159871871 NOQZZJPHROBCSY-LIRRHRJNSA-N 467.238 6.274 50 10 JKGE BrC[C@]12CCC[C@@H]1N(Cc1cccc(Br)c1Br)CCC2 2165244335 SAMDCTDCCUHOJE-GOEBONIOSA-N 466.055 5.741 50 10 JKGE COCc1cccc([C@H](Br)c2cc(Br)c(C)cc2Br)c1 2191250520 OLXVKKVTUYZPRW-INIZCTEOSA-N 463.007 6.151 50 10 JKGE COc1cc([C@@H](Cl)c2cc(Br)c(C)cc2Br)ccc1Br 2192150396 GVYXECLUGFRJEJ-OAHLLOKOSA-N 483.425 6.619 50 10 JKGE COc1cc([C@@H](Br)c2cc(Cl)c(Br)cc2F)ccc1Br 2192152469 QXZXQPOXCLWMPJ-CQSZACIVSA-N 487.388 6.497 50 10 JKGE FC(F)(F)[C@@H]1OC2([C@@H](Cl)c3c(Br)sc(Br)c3Cl)CC1C2 2193091105 IFWNOBNTCPJTQY-DTQPGTOQSA-N 474.951 6.316 50 10 JKGE Cc1c(Br)ccc([C@@H](Br)c2ccccc2C2CC2)c1Br 2203706839 SPBYUSCINMPZNG-KRWDZBQOSA-N 459.019 6.882 50 10 JKGE Cc1cc(Br)c([C@@H](Br)[C@H]2C[C@H]3COC[C@H](C3)C2)cc1Br 2206752502 OYSOWYRWXZWZNF-BUWBCJGYSA-N 467.039 6.019 50 10 JKGE CCN[C@@H](c1c(Br)cc(Cl)c(Cl)c1Cl)[C@H]1C[C@H](Br)C1 2224322728 PUTBOOPSRULJND-FRSIUCEKSA-N 450.429 6.233 50 10 JKGE Fc1ccc(Cl)c(F)c1[C@H](Br)c1cc(Br)ccc1Br 2226581119 JGEJILOWAYKFBF-GFCCVEGCSA-N 475.352 6.628 50 10 JKGE COc1cc(Br)c([C@H](Br)c2ccc(I)cc2)cc1C 2227712854 CZPXFMDWVGIZGY-OAHLLOKOSA-N 495.980 5.855 50 10 JKGE O=C(Nc1ccccc1CCBr)c1scc(Br)c1Br 2230680312 AVBZZOJBSXFQAD-UHFFFAOYSA-N 468.008 5.463 50 10 JKGE Clc1cc(Cl)cc([C@@H](Cl)c2c(Br)cc(Cl)c(Cl)c2Cl)c1 2232509662 DPJLUXUFHLQHLV-LLVKDONJSA-N 453.805 8.044 50 10 JKGE Fc1cc(Br)c(Br)cc1[C@H](Br)[C@@H]1[C@@H]2CCCC(F)(F)[C@H]21 2233974300 DSBYHKHKSBJXNV-FTRPCTHQSA-N 476.956 6.468 50 10 JKGE Cc1cc(Br)c([C@H](Br)[C@@H]2CCCC(C)(C)O2)c(C)c1Br 2235615948 WQVKWPOKHPEPMV-SWLSCSKDSA-N 469.055 6.612 50 10 JKGE CC1([C@@H](Br)c2c(Br)cc(Cl)c(Cl)c2Cl)CC2(CCC2)C1 2236520774 RIMDZDJZLVVZBR-ZDUSSCGKSA-N 461.452 7.816 50 10 JKGE O=C(c1csc(Br)c1Br)N1[C@H](CBr)C[C@@H]2CCCC[C@@H]21 2240729251 SPALBWUWLQOOQK-QXEWZRGKSA-N 486.067 5.441 50 10 JKGE Clc1cc(Br)c([C@H](Br)c2cccc(Cl)c2Br)s1 2248097422 BPLSBFIRIWZIDU-SNVBAGLBSA-N 479.846 7.064 50 10 JKGE Clc1c(Br)sc(Br)c1[C@H](Br)[C@]12COC[C@H](C1)C2 2250931367 KVFBIWCBNFKZCA-UPIMIWRCSA-N 465.432 5.789 50 10 JKGE COc1ccc([C@H](Br)c2nc(C)sc2Br)c(Br)c1Cl 2268254712 DHLFYRPMUMGLKL-VIFPVBQESA-N 490.442 6.123 50 10 JKGE CC1CCC([C@H](Br)c2c(F)cc(Br)c(F)c2Br)CC1 2272739400 MFXNJRVGVHQQSI-TYAJBCFHSA-N 460.982 6.752 50 10 JKGE Cc1cc([C@@H](Cl)c2c(F)cc(Br)c(F)c2Br)c(Br)s1 2272844908 XYYAUTPTBLUVHR-SNVBAGLBSA-N 495.408 6.950 50 10 JKGE Brc1cc(Br)cc(C[C@H](Br)C2CC3(CCCO3)C2)c1 2277952648 HQPOJFDHPFEXQR-WPBUFGDCSA-N 453.012 5.477 50 10 JKGE Brc1cccc(C[C@@H](Br)c2cc3sc(Br)cc3s2)c1 2278098795 BCDULQAAAMMFJV-SNVBAGLBSA-N 481.072 7.167 50 10 JKGE O=[N+]([O-])c1ccccc1C[C@H](Br)c1ccc(Cl)c(I)c1 2283623121 URXXUYMGCJZBIX-NSHDSACASA-N 466.500 5.532 50 10 JKGE Cc1c(Br)cccc1[C@@H](Cl)c1c(F)cc(Br)c(F)c1Br 2288497190 QDRPBDZEQZLFLF-CYBMUJFWSA-N 489.379 6.889 50 10 JKGE Cc1ccc(N2C(=O)[C@H](Cc3ccccc3C)SC2=C(C#N)C(=O)Nc2ccccc2)cc1 2293038998 RSJUMUKSVXJTMQ-DEOSSOPVSA-N 453.567 5.368 50 10 JKGE CCOc1ccc(NC(=O)C(C#N)=Cc2c(Oc3cccc(C)c3)nc3c(C)cccn3c2=O)cc1 2296542713 CKRCOLHOFLCIOY-UHFFFAOYSA-N 480.524 5.048 50 10 JKGE CCCCOC(=O)c1ccc(NC(=O)C(C#N)=Cc2ccc(OCc3ccccc3)cc2)cc1 2296834481 WXZJHQITWUWNHL-UHFFFAOYSA-N 454.526 5.768 50 10 JKGE N#CC(=Cc1ccc(I)cc1)c1nc(-c2ccc([N+](=O)[O-])cc2)cs1 2297315569 ZHNHWLNCCUAGIG-UHFFFAOYSA-N 459.268 5.387 50 10 JKGE CCOc1cc(C=C(C#N)c2ccc(C#N)cc2)ccc1OCc1ccc(Br)cc1 2297369570 PMWIAPHZGCALTF-UHFFFAOYSA-N 459.343 6.363 50 10 JKGE CN(C)c1ccc(C=C(C#N)C(=O)Nc2ncc(Cc3cc(Cl)ccc3Cl)s2)cc1 2297381499 HIOQPZYZJRYHCF-UHFFFAOYSA-N 457.386 5.652 50 10 JKGE CCN(CC)c1ccc(C=NNC(=O)C(=CC=Cc2ccccc2)NC(=O)c2ccccc2)cc1 2297620204 YEZWKVTWAFHDED-UHFFFAOYSA-N 466.585 5.010 50 10 JKGE Brc1cc(OCc2ccccc2)ccc1[C@H](Br)C(C1CC1)C1CC1 2299496924 PGIPJLHFYFCHKU-NRFANRHFSA-N 450.214 6.900 50 10 JKGE CC[C@H](CC(C)C)[C@H](Br)c1cc(Br)ccc1OCc1ccccc1 2299501665 QDKRKPCWIRUHOC-UTKZUKDTSA-N 454.246 7.536 50 10 JKGE CCOc1cc(C=C(C#N)C(=O)NC2CCCCC2)ccc1OCc1ccc(Cl)cc1Cl 2313540514 FMSOAVRAGMZVLS-UHFFFAOYSA-N 473.400 6.327 50 10 JKGE Cc1cc(C=C(C#N)C(=O)Nc2ccc(Br)cc2)c(C)n1-c1ccc(C(=O)O)c(Cl)c1 2313564910 FVCDAVYXWKGZNI-UHFFFAOYSA-N 498.764 5.754 50 10 JKGE FC(F)(F)[C@@H]1CC[C@@H]1[C@H](Br)c1cc(Br)ccc1OCc1ccccc1 2314443756 ICYLIVGOWCTDMB-LESCRADOSA-N 478.146 7.053 50 10 JKGE C[C@H]1O[C@@]2([C@H](Br)c3cc(Br)ccc3OCc3ccccc3)CC[C@H]1C2 2314445897 QSZOZPWCWDDJOE-VBGDYPAJSA-N 466.213 6.422 50 10 JKGE Cc1cccc(Br)c1[C@H](Cl)c1cc(Br)ccc1OCc1ccccc1 2314449922 UOKRBYLWUMNQPG-OAQYLSRUSA-N 480.627 7.427 50 10 JKGE Cc1ccc(-c2csc(C(C#N)=C(O)c3ccc(-c4ccc([N+](=O)[O-])cc4Cl)o3)n2)cc1 2314457625 SALWBHZDEHAAOG-UHFFFAOYSA-N 463.902 6.890 50 10 JKGE CC1=C(C#N)C(=O)N(Cc2ccccc2)C(=O)C1=Cc1ccc(OCc2ccc(F)cc2)cc1 2314618135 HUMDPAQMHJITQD-UHFFFAOYSA-N 452.485 5.197 50 10 JKGE CC(C)(C)c1ccc(C=CC(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@H]3c2ccc(F)cc2)cc1 2314634062 IOTMIVDFDCHKIA-MHZLTWQESA-N 468.528 5.960 50 10 JKGE CCCCCCOc1ccc(C=C(C#N)C(=O)Nc2ccc([N+](=O)[O-])cc2OC)cc1OC 2314729008 RIAPTVQYOWZMNI-UHFFFAOYSA-N 453.495 5.117 50 10 JKGE COc1c(Cl)cc(Br)cc1[C@H](Br)c1cnsc1Br 2315645188 PLFLWGWDOQYSIZ-VIFPVBQESA-N 476.415 5.814 50 10 JKGE BrC[C@@H]1CCCN(Cc2ccc(I)c(Br)c2)CC1 2325207286 OUVVIGISVBXRBE-LLVKDONJSA-N 487.017 5.051 50 10 JKGE N#CC(=Cc1ccc(N2N=C(c3ccccc3)C[C@H]2c2ccccc2)cc1)n1cnc2ccccc21 2331032906 ZITWIPQGBYGUES-HKBQPEDESA-N 465.560 6.914 50 10 JKGE CCOc1cc(C=C(C#N)c2nc3ccccc3n2CC)ccc1OCc1c(Cl)cccc1Cl 2331071901 YYEHCFOLWMRFSY-UHFFFAOYSA-N 492.406 7.405 50 10 JKGE N#CC(=C(O)CN1C(=O)COc2ccc(Cl)cc21)c1nc(-c2ccc3ccccc3c2)cs1 2331238881 BFQQQDJBQGNFFN-UHFFFAOYSA-N 473.941 5.835 50 10 JKGE CCc1ccc(-c2csc(C(C#N)=C(O)[C@@H]3CC(=O)N(c4ccccc4C(=O)OC)C3)n2)cc1 2331245671 ILLUQDYUQKCBMI-GOSISDBHSA-N 473.554 5.005 50 10 JKGE COc1cc(C=CC(O)=C(C#N)c2nc(-c3cccc(Br)c3)cs2)ccc1OC(C)=O 2331278992 XQVCUKGLJPCLML-UHFFFAOYSA-N 497.370 6.013 50 10 JKGE CCc1cccc(CC)c1N1C[C@@H](C(O)=C(C#N)c2nc(-c3ccc([N+](=O)[O-])cc3)cs2)CC1=O 2331281133 KIQQHTLLMSWHER-IBGZPJMESA-N 488.569 5.689 50 10 JKGE N#CC(=C(O)c1cc(C(F)(F)F)cc(C(F)(F)F)c1)c1nc(-c2cccc3ccccc23)cs1 2331339584 RQFGHZLDCOEGJP-UHFFFAOYSA-N 490.428 7.951 50 10 JKGE COc1ccc(CC(O)=C(C#N)c2nc(-c3ccc(Oc4ccccc4)cc3)cs2)c(OC)c1 2331358623 WEGQUGOOWSCVIK-UHFFFAOYSA-N 470.550 6.655 50 10 JKGE CCCc1ccc(OCC(O)=C(C#N)c2nc(-c3cc(Cl)c(OC)cc3OC)cs2)cc1 2331378755 ZLKGZUJCDGCIBX-UHFFFAOYSA-N 470.978 6.305 50 10 JKGE COc1ccc(-c2csc(C(C#N)=C(O)COc3cc(C)c(Cl)c(C)c3)n2)cc1Cl 2331398320 HMCPRWXYBZOBCN-UHFFFAOYSA-N 461.370 6.614 50 10 JKGE COc1ccc(-c2csc(C(C#N)=C(O)c3c(Cl)ccc(Cl)c3Cl)n2)cc1Cl 2331399570 YSBCACXJFHGSCL-UHFFFAOYSA-N 472.180 7.382 50 10 JKGE N#CC(=Cc1ccc(OCc2ccccc2Cl)cc1)c1nc(-c2cccc3ccccc23)cs1 2331456785 GKRYDMUFQWKMCZ-UHFFFAOYSA-N 479.004 8.260 50 10 JKGE COc1cc(C=C(C#N)c2nc(-c3ccc(F)cc3)cs2)ccc1OCCCc1ccccc1 2331459180 WQUFBIDYTRCQFY-UHFFFAOYSA-N 470.569 7.034 50 10 JKGE COc1cc(-c2csc(C(C#N)=Cc3ccc(OCc4ccccc4)cc3)n2)c(OC)cc1Cl 2331471183 UFKBROSEHZFMHN-UHFFFAOYSA-N 488.996 7.124 50 10 JKGE CO[C@@H]1C[C@@]2([C@@H](Br)c3c(Br)cc(C)c(Br)c3C)C[C@@H]12 2333708173 CRGAWXXEOBMLHS-OKFJQDPLSA-N 453.012 5.689 50 10 JKGE Cc1cc(Br)c(F)c(Br)c1[C@H](Br)[C@@H]1C[C@H]1C(F)(F)F 2339645309 GZURHIPLJXQBSW-HCVRKRLWSA-N 468.908 6.294 50 10 JKGE COc1c(Br)cc(C)c([C@H](Br)[C@@]23C[C@H](C)[C@@H]2C3)c1Br 2339657103 UWNFIJQRMJGGES-WDQYXFPCSA-N 453.012 6.011 50 10 JKGE C[C@@H](Br)CN(C(=O)c1scc(Br)c1Br)C1CCCC1 2342917996 MMOMMLCTWNEVBN-MRVPVSSYSA-N 474.056 5.441 50 10 JKGE C[C@H](c1ccncc1F)[C@@H](Br)c1cc(Br)cc(Br)c1 2344692328 LGXAMSKSMVXAKS-XLKFXECMSA-N 451.959 5.985 50 10 JKGE Brc1cc(OCc2ccccc2)ccc1[C@H](Br)[C@H]1CC2(CCCCC2)CO1 2361168674 NVTXUXWVWQGSGZ-YADHBBJMSA-N 494.267 7.204 50 10 JKGE Fc1c(Br)cc(Cl)c([C@H](Br)[C@@H]2CCC[C@@H]2C(F)F)c1Br 2362226290 YGRLTYMCBTVUQS-GOZTUDAPSA-N 499.390 7.122 50 10 JKGE Fc1c(Br)cc(Cl)c([C@@H](Cl)c2cscc2C(F)F)c1Br 2362227666 HVFJMUHWIGSWKW-JTQLQIEISA-N 468.947 7.331 50 10 JKGE Cc1scc([C@H](Br)c2cc(Br)cc3c2O[C@H](C)C3)c1Br 2369595775 GPGCCXCCMCYULT-NXSYQRQQSA-N 481.047 6.389 50 10 JKGE CC(C)(C)OC(=O)N[C@H]1CN(C[C@@]2(CBr)CC2(F)F)C2(CCCCCC2)C1 2379983271 CTHVDLAVDGZHMW-QAPCUYQASA-N 451.396 5.099 50 10 JKGE CCOc1cc(/C=N/NC(=O)[C@@H]2CC2(c2ccccc2)c2ccccc2)cc(Br)c1O 3144766 OTOUYIOPZJVADH-BJRSOBTISA-N 479.374 5.010 50 10 JKGE CC[C@H](Oc1ccccc1[C@@H](C)CC)C(=O)NNC(=O)c1ccc(NC(=O)C2CCCCC2)cc1 10683555 SCWHBBPFUGALGV-CYFREDJKSA-N 479.621 5.338 50 10 JKGE CCCCOc1ccc(Br)cc1C(=O)NNC(=O)[C@@H](C)Oc1ccc2ccccc2c1 14649897 HYGFUNXXJGTSOK-MRXNPFEDSA-N 485.378 5.010 50 10 JKGE CC(C)CCOc1ccc(Br)cc1C(=O)NNC(=O)c1ccc(C(C)(C)C)cc1 14650770 AODLNHPUMAUKLD-UHFFFAOYSA-N 461.400 5.246 50 10 JKGE COc1cc(/C=C(/C#N)c2cccc(Cl)c2)ccc1OC(=O)/C=C/c1ccc(C(C)C)cc1 31902408 QUMNRTLJVRGFBM-NNIKVHMYSA-N 457.957 7.155 50 10 JKGE N#C/C(C(=O)Nc1cc(Cl)ccc1Cl)=C1\S[C@H](Cc2ccccc2)C(=O)N1c1ccccc1 33934219 XBMQIUXEBAQTLC-UDXHRHDRSA-N 494.403 6.058 50 10 JKGE N#C/C(=C\c1ccc(-c2ccc(Cl)c(Cl)c2)o1)c1nc(-c2cc3ccccc3oc2=O)cs1 35518890 ZHKUPWUKDWPNES-CXUHLZMHSA-N 491.355 7.547 50 10 JKGE CCOc1cccc(C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@H]3c2ccc(Cl)cc2Cl)c1 38655524 PLHKRWJYGYVPJT-QHCPKHFHSA-N 481.335 5.829 50 10 JKGE N#CC1=C(N)Oc2cc(OC(=O)c3ccc([N+](=O)[O-])cc3)ccc2[C@@H]1c1ccc(Cl)c(Cl)c1 38655786 ITAOYXLLNUWGTC-NRFANRHFSA-N 482.279 5.339 50 10 JKGE COc1cccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)Cc4cccc5ccccc45)ccc32)c1OC 38658908 HXUUBEWIZQBNIQ-MUUNZHRXSA-N 492.531 5.223 50 10 JKGE Cc1c(C(=O)Nc2cccc3ccccc23)oc2c1/C(=N/NC(=O)c1ccc([N+](=O)[O-])cc1)CCC2 40812213 DTXKGJJLBIGCAI-QUPMIFSKSA-N 482.496 5.372 50 10 JKGE Cc1c(C(=O)Nc2ccc(/N=N/c3ccccc3)cc2)oc2c1/C(=N/NC(=O)c1ccncc1)CCC2 40814004 PBPUBQXOWCKDQY-NDUFDXOBSA-N 492.539 6.121 50 10 JKGE CCCCNC(=O)/C(C#N)=C/c1ccc(OC(=O)C(c2ccccc2)c2ccccc2)c(OC)c1 40966989 GFLOPEAPGRSPFO-HKOYGPOVSA-N 468.553 5.256 50 10 JKGE CCOc1cc(/C=C(/C#N)C(=O)Nc2ccccc2[N+](=O)[O-])ccc1OCc1ccccc1Cl 96401932 DSXZIEBATXEPDY-UYRXBGFRSA-N 477.904 5.772 50 10 JKGE Brc1ccc(O[C@H]2C[C@@H](Br)C23CCCCCC3)c(Br)c1 97647301 MSOYFOBZJZMKAG-CABCVRRESA-N 467.039 6.467 50 10 JKGE Fc1ccc(Br)cc1[C@H](Br)c1cc(Cl)c(Br)cc1F 97896073 RGWWBVMAAVGVIX-ZDUSSCGKSA-N 475.352 6.628 50 10 JKGE CCCCCCCOc1ccc(/C=C2/C(=O)N(Cc3ccc(OC)cc3)C(=O)C(C#N)=C2C)cc1 101340054 GFGLLHAAIVZUHH-NLRVBDNBSA-N 472.585 5.837 50 10 JKGE CC(=O)c1ccc(-c2ccc(/C=C3/C(=O)N(Cc4ccccc4Cl)C(=O)C(C#N)=C3C)o2)cc1 101340847 FNORGXSVTYISSR-LPYMAVHISA-N 470.912 5.595 50 10 JKGE Cc1ccccc1NC(=O)/C(C#N)=C1/S[C@H](Cc2ccccc2Cl)C(=O)N1c1ccccc1C 102666997 DVLJOTBNENLWSE-CCUBOOHYSA-N 488.012 6.022 50 10 JKGE Cc1ccccc1OCCCN1C(=O)/C(=N/NC(=O)COc2ccc(C(C)(C)C)cc2)c2ccccc21 102769566 VSWWUNODAFVPOY-VEWQFJOQSA-N 499.611 5.008 50 10 JKGE Fc1ccc(COc2ccc(CBr)cc2Br)c(Br)c1 110379376 SOTYTGWAVPMDJG-UHFFFAOYSA-N 452.943 5.825 50 10 JKGE CCCCCCCC(CBr)(CBr)c1ccccc1Br 118878916 UQHFIEKWAZFPDM-UHFFFAOYSA-N 455.072 6.837 50 10 JKGE Cc1cc(Br)c([C@H](Br)c2ccc(OC(F)F)cc2)cc1Br 128827365 FVBSJXIBPGVVBK-CQSZACIVSA-N 484.960 6.606 50 10 JKGE Cc1ccc([C@H](Cl)c2cc(Br)sc2Br)c(Br)c1 163905452 LIQYGGKUCJNHNO-NSHDSACASA-N 459.428 6.672 50 10 JKGE CC(C)(C)[Si](C)(C)O[C@@H]1C[C@@H]2OC(=O)C[C@@H]2[C@H]1/C=C/[C@@H](O)COc1cccc(C(F)(F)F)c1 198354286 DMZKPJJAFXZEPH-VGANCANDSA-N 486.603 5.343 50 10 JKGE CCCCOC(=O)c1ccccc1NC(=O)/C(C#N)=C\Nc1ccc(Br)c(C)c1 217241101 INUPROMESUGTHN-PEZBUJJGSA-N 456.340 5.173 50 10 JKGE CCc1cccc(CC)c1N/C=C(/C#N)C(=O)Nc1ccc(I)cc1C 217253845 SBJKTQKGZRITHL-LGMDPLHJSA-N 459.331 5.183 50 10 JKGE BrCC(CBr)(COCc1ccccc1)c1cccc(Br)c1 230091437 XNNAIQOZBSGIAW-UHFFFAOYSA-N 477.034 5.694 50 10 JKGE CCCc1ccc([C@@H](Br)c2cc(Br)sc2Br)cc1 233379792 KTUWQOLWPXGUQN-CYBMUJFWSA-N 453.037 6.710 50 10 JKGE Clc1ccc(Cl)c([C@@H](Cl)c2cc(I)ccc2Br)c1 236039246 WDVZRNFAIDCVOB-ZDUSSCGKSA-N 476.366 6.689 50 10 JKGE Fc1ccc(C[C@H](Br)c2cc(Br)cc(Br)c2)c(F)c1 236168496 IUVBMONCZLIUHT-ZDUSSCGKSA-N 454.934 6.169 50 10 JKGE CC(C)c1ccc(-c2cc(C(=O)NN=Cc3ccccc3OCc3ccccc3)c3ccccc3n2)cc1 252639248 YIOUAQQWUIRTLP-UHFFFAOYSA-N 499.614 7.368 50 10 JKGE CCCOc1ccc(C(=O)NN=Cc2c(OC(=O)c3ccc(OCC)cc3)ccc3ccccc23)cc1 254432827 VDPKUCLMQJPFRO-UHFFFAOYSA-N 496.563 6.010 50 10 JKGE CC(CC(=O)Nc1ccc(OCc2ccccc2)cc1)=NNC(=O)Cc1ccc(-c2ccccc2)cc1 254877863 KPTYKRJRYLRSRU-UHFFFAOYSA-N 491.591 5.996 50 10 JKGE 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 257372760 APYOKISKLZLBOK-CXHRXHIXSA-N 486.741 5.110 50 10 JKGE BrCc1cc(Br)cc(Br)c1OCCCc1ccccc1 380523895 RRXGWZWGOZUETJ-UHFFFAOYSA-N 463.007 6.118 50 10 JKGE Fc1cc(F)c(F)c([C@H](Cl)c2cc(Br)ccc2I)c1F 396032456 NJXFLSDDXKCWCT-LLVKDONJSA-N 479.436 5.938 50 10 JKGE C=C(C)[C@@H]1CC[C@]2(N=C=O)CC[C@]3(C)[C@H](CC[C@@H]4[C@]5(C)CCC(=O)C(C)(C)[C@@H]5CC[C@@]43C)[C@@H]12 504359162 VQWHXXYGQNAQAN-VYLMJSDVSA-N 451.695 7.301 50 10 JKGE biogenic CC(C)[Si](Oc1cc2c(cc1Cl)[C@](C#CC1CC1)(C(F)(F)F)OC(=O)N2)(C(C)C)C(C)C 504680556 BEOWTPVROSFNEV-JOCHJYFZSA-N 488.022 7.627 50 10 JKGE in-vitro CC(C)(C)OC(=O)Nc1ccccc1[C@H]1COCCCN1CCO[Si](C)(C)C(C)(C)C 616599978 URASVTWMZDCEHK-OAQYLSRUSA-N 450.696 5.819 50 10 JKGE CC(C)(C)N(CCCBr)c1ncc(C(F)(F)F)cc1I 686108441 KWMRDTNFPOERLO-UHFFFAOYSA-N 465.095 5.095 50 10 JKGE Fc1cc(Br)ccc1C[C@H](Br)c1ccc(F)c(Br)c1F 691564196 ZBVGERBQOVCTJN-JTQLQIEISA-N 472.924 6.308 50 10 JKGE C[C@@H]1CC[C@](C)([C@H](Br)c2cc(Br)ccc2Br)C1(C)C 699052885 YTAGIBJICRAFJB-QSGSBWRWSA-N 453.056 7.110 50 10 JKGE C[C@H](COc1c(Br)cc(Br)cc1CBr)CC(C)(C)C 709243091 KYSZJLFEIDRAKQ-JTQLQIEISA-N 457.044 6.558 50 10 JKGE COc1ccc(Oc2ccc(CBr)c(Cl)c2)cc1I 712919642 NCDHETKQKZUNDT-UHFFFAOYSA-N 453.501 5.640 50 10 JKGE COc1cccc(C[C@@H](Cl)c2ccc(I)c(Br)c2)c1 721572545 MGFBLWAXNNGENA-CQSZACIVSA-N 451.529 5.585 50 10 JKGE CCOc1cc(C=NNC(=O)c2ccc(OC)c(OC)c2)ccc1OCc1ccccc1Cl 1084012779 HSDLAJDAZYUXRV-UHFFFAOYSA-N 468.937 5.099 50 10 JKGE COc1cc(/C=C(\C#N)C(=O)Nc2cc(Cl)ccc2Cl)cc(Br)c1OC(C)=O 1084170729 SBXAOTIQFNPODE-LFYBBSHMSA-N 484.133 5.235 50 10 JKGE C[C@@H](SCc1ccccc1)C(=O)NN=Cc1ccc(Oc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])cc1 1084271552 NRJJUPDCWMPYHR-MRXNPFEDSA-N 480.502 5.067 50 10 JKGE COc1cc(C=NNC(=O)CC[C@H](O)c2ccccc2)cc(Cl)c1OCc1cccc(F)c1 1084485869 MDGWMHBASICRNG-QFIPXVFZSA-N 470.928 5.031 50 10 JKGE Cc1ccc(C(CSc2nc3ccccc3s2)=NNC(=O)c2ccccc2Cl)c(C)c1 1084492394 TVPSGJBYHRNFGK-UHFFFAOYSA-N 466.031 6.493 50 10 JKGE CCCOc1ccc([C@H]2CN(C(=O)OCc3ccccc3)C[C@@H]2CI)cc1 1614614641 CMXBMNDVUGLDRJ-PZJWPPBQSA-N 479.358 5.263 50 10 JKGE COc1ccc(NC(=O)c2oc3c(c2C)C(=NNC(=O)c2ccccc2Br)CCC3)cc1 1772743807 JAVFUKPQCRNCRJ-UHFFFAOYSA-N 496.361 5.082 50 10 JKGE CCN(C(=O)c1oc2c(c1C)C(=NNC(=O)c1ccc(Cl)cc1Cl)CCC2)c1ccccc1 1772745461 ATALZLOWNJLRQN-UHFFFAOYSA-N 484.383 6.032 50 10 JKGE CC(C)(C)c1ccc(OCCCC(=O)NN=Cc2ccccc2Cl)c(Br)c1 1772755920 UYFTYISYAUYCKA-UHFFFAOYSA-N 451.792 5.709 50 10 JKGE C[C@H](Oc1cccnc1NC(=O)Oc1ccc([N+](=O)[O-])cc1)C(=O)Nc1cc(Cl)cc(Cl)c1 1858688448 YTZBMRVMUKFWTJ-LBPRGKRZSA-N 491.287 5.314 50 10 JKGE N#CC1=C(N)Oc2c(c(-c3ccccc3)nn2-c2ccc(Cl)c(Cl)c2)[C@@H]1c1ccc(O)cc1 1865684603 SWYWHYRJLKWDJP-OAQYLSRUSA-N 475.335 5.770 50 10 JKGE C[C@H](CC(=O)N[C@H](Cc1ccccc1)C(=O)Nc1ccc(SC#N)cc1)c1cccc(Cl)c1 1867185304 SZKWMUDPFQUGID-HOYKHHGWSA-N 478.017 5.773 50 10 JKGE CCCOc1ccc(C/C(O)=C(\C#N)c2nc(-c3ccc(-c4ccccc4)cc3)cs2)cc1 1872743627 DQXXFRBJSUEXIQ-RFBIWTDZSA-N 452.579 7.301 50 10 JKGE CC(C)COc1ccc(/C(O)=C(\C#N)c2nc(-c3ccc(Br)cc3)cs2)cc1 1872746390 FYQIVQKNJWPVRO-VZCXRCSSSA-N 455.377 6.557 50 10 JKGE COc1ccc(OC/C(O)=C(\C#N)c2nc(-c3ccc(OC)c(C)c3)cs2)c(C(C)(C)C)c1 1872746558 NLOOBHOYTRJPFF-QOCHGBHMSA-N 464.587 6.305 50 10 JKGE COc1ccc(Cl)cc1N1C[C@H](/C(O)=C(\C#N)c2nc(-c3ccc([N+](=O)[O-])cc3)cs2)CC1=O 1872747006 KAAAORGROCXYPZ-CHOFAJOMSA-N 496.932 5.226 50 10 JKGE COc1cc(/C(O)=C(\C#N)c2nc(-c3cc(C)cc(C)c3OC)cs2)cc(OC)c1OC 1872754829 KXLPPYQFJJZQLP-FXBPSFAMSA-N 452.532 5.411 50 10 JKGE COc1cc(-c2csc(/C(C#N)=C(\O)c3cc4ccccc4oc3=O)n2)c(OC)cc1Cl 1872756214 FTRGNCPVWUVXCV-QNGOZBTKSA-N 466.902 5.537 50 10 JKGE Cc1c(Br)sc([C@H](Br)[C@H]2C[C@@H]2Br)c1Br 1893054334 LKJCOZNWSBHYBT-KZLJYQGOSA-N 467.846 5.801 50 10 JKGE Clc1ccsc1[C@H](Br)c1cc(Br)ccc1OCc1ccccc1 1899856563 JIRLIJZAVTXIPV-QGZVFWFLSA-N 472.629 7.227 50 10 JKGE CC[C@@H]1C[C@H]1C[C@H](Br)c1c(Br)sc(Br)c1Cl 1902788190 HSPSJGQNLVCQPX-VQVTYTSYSA-N 451.449 6.799 50 10 JKGE Brc1cc(C[C@H]2CCC[C@H](Br)C2)ccc1I 1904328750 GEPBCWYZEWXWAB-KOLCDFICSA-N 457.975 5.550 50 10 JKGE O=S1(=O)CCC[C@H]([C@@H](Cl)c2c(Br)sc(Br)c2Cl)C1 1923049108 KVZVSDZSYQNCEI-CAHLUQPWSA-N 457.036 5.031 50 10 JKGE C[C@@H]1C[C@H]([C@H](Br)c2c(Br)sc(Br)c2Cl)CO1 1923067490 DDAGILIOOLJZLW-ZDLURKLDSA-N 453.421 5.788 50 10 JKGE C[C@](CBr)(Cc1cccc(Br)c1Br)C1CCCCC1 1923890353 JDYUFOCCGKNNFP-MRXNPFEDSA-N 453.056 6.736 50 10 JKGE CC(C)C1([C@@H](Cl)c2c(Br)sc(Br)c2Br)CC1 1924608003 BXYRTGHFUWDPAF-QMMMGPOBSA-N 451.449 6.752 50 10 JKGE Cc1cc(Br)sc1[C@@H](Br)c1ccc(Cl)cc1Br 1950207194 DLTLJHWQQAEBJH-NSHDSACASA-N 459.428 6.719 50 10 JKGE Fc1cc(F)c([C@@H](Br)c2sc(Br)cc2Br)cc1Cl 2058878238 DGRIUUWORPQCIO-SNVBAGLBSA-N 481.381 6.689 50 10 JKGE Cc1cc(Cl)c(Br)cc1[C@H](Cl)c1cc(Br)sc1Br 2082382790 RIBGIRGVUBGZHZ-NSHDSACASA-N 493.873 7.326 50 10 JKGE Fc1c(Cl)cccc1[C@H](Br)c1ccc(Br)cc1Br 2083336868 FMBLUCWKOCXJFW-GFCCVEGCSA-N 457.362 6.488 50 10 JKGE BrCc1ccc(N2CC[C@]3(CCCN(Cc4ccccc4)C3)C2)cc1Br 2107016516 CVGYKKXCSQFKBN-QFIPXVFZSA-N 478.272 5.837 50 10 JKGE C[C@H](Cl)c1nc2cc(Cl)c(Br)cc2n1C[C@H](C)N(C)Cc1ccccc1 2112697727 WQHKUNVKSXAKPN-KBPBESRZSA-N 455.227 6.273 50 10 JKGE Clc1ccccc1[C@@H](Br)CCc1ccc(Br)cc1Br 2113490729 GURTYBOLDCDTID-ZDUSSCGKSA-N 467.426 6.934 50 10 JKGE CC[C@@H](C)N(Cc1ccccc1)S(=O)(=O)c1cc(Cl)cc(CBr)c1OC 2123245561 JFSGGJCGZRLATE-CQSZACIVSA-N 460.821 5.233 50 10 JKGE COc1c(CBr)cc(Cl)cc1S(=O)(=O)N(Cc1ccccc1)CC(C)C 2123246856 OJOVALLSDDODAK-UHFFFAOYSA-N 460.821 5.090 50 10 JKGE O=C(c1cc(Br)sc1Br)N1CC2(CCC(Br)CC2)C1 2124671999 YVHCWFRSOSWQEC-UHFFFAOYSA-N 472.040 5.053 50 10 JKGE Cc1cc(Br)c([C@H](Br)C2C[C@@H]3CC[C@H](C2)O3)cc1Br 2124919944 IJCJPZKNSUQSFI-UFFDXJJYSA-N 453.012 5.914 50 10 JKGE Clc1c(Br)sc(Br)c1[C@H](Br)[C@@H]1C[C@@H]1C1CCCCC1 2135274811 YQUOUIUAKHTDGH-FXPVBKGRSA-N 491.514 7.579 50 10 JKGE COc1cc(Cl)c([C@H](Br)c2cc(Br)n(C)n2)cc1Br 2137655486 LWTUXPBNKVFMBJ-LBPRGKRZSA-N 473.390 5.091 50 10 JKGE Cc1c(Br)ccc([C@H](Br)C23CCC(F)(CC2)C3)c1Br 2138873470 XUTHXCUKLTZSSX-NFOMZHRRSA-N 455.003 6.628 50 10 JKGE Clc1cc(COc2ccc(CBr)c(Cl)c2)ccc1I 2142951354 ZIHTVDKJDAXANW-UHFFFAOYSA-N 471.947 6.072 50 10 JKGE C[C@H]1CCCN(C(=O)c2c(Br)cccc2Br)[C@@H]1CCBr 2150495235 WDGYAYCPPRFVGY-GXFFZTMASA-N 468.027 5.237 50 10 JKGE CCn1ncc(Br)c1[C@@H](Br)c1c(C)cc(C)c(Br)c1C 2150666047 BAAJNNMGOXPWCH-AWEZNQCLSA-N 465.027 5.838 50 10 JKGE Clc1cccc(Br)c1[C@@H](Cl)c1csc2c(Br)cccc12 2169463886 OLYOYIKFNBGEBT-AWEZNQCLSA-N 451.010 7.408 50 10 JKGE Clc1cc(Br)cc(Cl)c1Oc1nc2sccn2c1CBr 2202995411 SEOALCPVQVQWNA-UHFFFAOYSA-N 456.974 6.152 50 10 JKGE COc1ccc([C@H](Br)c2ccc(Cl)c(Br)c2)c(Cl)c1Cl 2203432741 JJSXVPSYSDCRJL-GFCCVEGCSA-N 459.392 6.902 50 10 JKGE Brc1ccc([C@@H](Br)C2C3CC4CC(C3)CC2C4)c(Br)c1 2203687562 QMHNVPNKQJQFLX-HLOKUZTGSA-N 463.051 6.720 50 10 JKGE CCN(C[C@@](C)(CBr)OCc1ccc(Cl)cc1Cl)C(=O)OC(C)(C)C 2223367930 YTSCREXPGMYITB-GOSISDBHSA-N 455.220 5.921 50 10 JKGE C[C@@H]1CC[C@H](C[C@@H](Br)c2c(Br)cc(Cl)c(Cl)c2Cl)O1 2224301986 GVKICFJQYWTTLM-BWZBUEFSSA-N 451.413 6.803 50 10 JKGE Cc1cc(C)c([C@@H](Br)c2c(Br)cc(Cl)c(Cl)c2Cl)s1 2225912811 GYLNMQNQEXOPRI-JTQLQIEISA-N 463.449 7.572 50 10 JKGE Cc1cc(Br)c([C@@H](Br)[C@H]2CCCC2(C)C)c(C)c1Br 2227346404 CVOINIQMCDLZER-ABAIWWIYSA-N 453.056 7.091 50 10 JKGE Cc1cc([C@H](Br)c2c(Br)cc(C)c(Br)c2C)c(C)o1 2227346539 DVOILIGONGSJIF-HNNXBMFYSA-N 450.996 6.523 50 10 JKGE Cc1cc([C@H](Cl)c2sc(Br)c(C)c2Br)cc(C)c1Br 2227420191 CTODVTFHDMMPBP-LBPRGKRZSA-N 487.482 7.289 50 10 JKGE Cc1cc(Br)ccc1[C@@H](Br)Cc1ccc(Br)cc1Cl 2229148824 FIGPJSSLTMULME-AWEZNQCLSA-N 467.426 6.852 50 10 JKGE CCOc1cc(CBr)cc(Br)c1OCc1ncsc1Br 2234527391 BFSDLWWZHJPPOW-UHFFFAOYSA-N 486.023 5.541 50 10 JKGE Cl[C@H](c1cc(Br)ccc1Br)c1ccc2c(c1Br)CCO2 2238070403 DUPHGJVWTSWBEX-HNNXBMFYSA-N 481.409 6.237 50 10 JKGE Cc1ccc(-n2c(CCl)nc3ccc(Br)cc32)c(I)c1 2240489661 MPAARIUHVXKABZ-UHFFFAOYSA-N 461.528 5.440 50 10 JKGE Cc1ccc([C@@H](C)[C@@H](Br)c2ccc(Br)c(C)c2Br)cc1 2240825959 ZHXOLVKNENXFMQ-BDJLRTHQSA-N 461.035 7.068 50 10 JKGE Cc1ccc(I)c([C@H](Cl)c2c(Br)cc(F)c(F)c2F)c1 2240999387 ARWPMTWMFMEFCI-LBPRGKRZSA-N 475.473 6.108 50 10 JKGE COc1c([C@@H](Br)c2coc(Br)c2)cc(Br)c(C)c1C 2269111637 SXZBDYGDLUCQTI-ZDUSSCGKSA-N 452.968 5.914 50 10 JKGE Cc1c(Br)ccc([C@H](Br)[C@@H]2CCC[C@H]2C(F)F)c1Br 2270152506 BTELGBWCIUOUGG-JRKPZEMJSA-N 460.982 6.637 50 10 JKGE CCc1occc1[C@H](Br)c1c(F)cc(Br)c(F)c1Br 2272726474 OMTKBXNVQIPEFO-NSHDSACASA-N 458.922 6.130 50 10 JKGE Cc1cc(Br)c([C@@H](Br)C[C@H]2CCCC23CC3)c(C)c1Br 2281374712 ZKTMHHSBIYDPJC-OCCSQVGLSA-N 465.067 7.235 50 10 JKGE COc1ccc([C@H](Br)c2cc(Br)c(Cl)s2)c(Cl)c1OC 2283585830 FJVLYDBBQIZENP-JTQLQIEISA-N 461.002 6.319 50 10 JKGE Cc1cc(Br)c(C)c([C@H](Br)[C@@H]2COC3(CCC3)C2)c1Br 2284852003 AXCDRKUURNEDPR-XHDPSFHLSA-N 467.039 6.224 50 10 JKGE N#CC(=CNc1ccccc1OC(F)(F)[C@@H](F)Cl)c1nc(-c2ccc(Cl)cc2)cs1 2295956284 VUKLCTDMLNYOAW-LJQANCHMSA-N 470.303 6.946 50 10 JKGE CCOC(=O)c1c(-c2ccc(F)cc2)csc1NC(=O)C(C#N)=Cc1ccc(OC)c(OC)c1 2296500351 KANBGYUIGPSBNG-UHFFFAOYSA-N 480.517 5.294 50 10 JKGE CCOC(=O)c1c(-c2ccc(F)cc2)csc1NC(=O)C(C#N)=Cc1ccc(N(C)C)cc1 2296819017 LCUVDPZYKFXRLV-UHFFFAOYSA-N 463.534 5.343 50 10 JKGE FC(F)(F)C(F)(F)[C@H](Br)c1cc(Br)ccc1OCc1ccccc1 2299493001 JYFYUVITOMBIAQ-CQSZACIVSA-N 474.061 6.662 50 10 JKGE COc1cc(C=C(C#N)C(=O)NCc2ccccc2)ccc1OCc1ccc(Br)cc1 2313724728 XTDPFDNORKYVPC-UHFFFAOYSA-N 477.358 5.260 50 10 JKGE CCCC[C@@H](C)CC[C@H](Br)c1cc(Br)ccc1OCc1ccccc1 2314447486 YWQOFDSWTHUFFG-UTKZUKDTSA-N 468.273 8.071 50 10 JKGE COc1ccc(C(C#N)=Cc2ccc(N3N=C(c4ccccc4)C[C@H]3c3ccccc3)cc2)cc1OC 2314482536 NKZJKVJOPZDUKM-PMERELPUSA-N 485.587 7.124 50 10 JKGE CC[C@@H](C[C@H](Br)c1cc(Br)ccc1OCc1ccccc1)C(C)(C)C 2314497914 OWAOEUUKBFSQJX-PXNSSMCTSA-N 468.273 7.927 50 10 JKGE COc1ccc(CN2C(=O)C(=Cc3ccc(OCc4ccccc4F)cc3)C(C)=C(C#N)C2=O)cc1 2314616832 KQFXPRSNXYDBHE-UHFFFAOYSA-N 482.511 5.206 50 10 JKGE CC1=C(C#N)C(=O)N(Cc2ccc(F)cc2)C(=O)C1=Cc1ccc(OCc2ccccc2)cc1 2314619962 IBUCTNLHCXNDKR-UHFFFAOYSA-N 452.485 5.197 50 10 JKGE CCCCCCOc1ccc(C=C(C#N)C(=O)Nc2scc(-c3ccccc3)c2C(=O)OC)cc1 2314730593 IFIXCNOXVYTECA-UHFFFAOYSA-N 488.609 6.706 50 10 JKGE CCOc1cc(C=C(C#N)C(=O)NCc2ccco2)ccc1OC(=O)c1c(C)cc(C)cc1C 2314753224 NEJCCRRQZQHIOT-UHFFFAOYSA-N 458.514 5.046 50 10 JKGE Fc1c(Br)cc(Cl)c([C@@H](Br)[C@@H]2CC23CCC3)c1Br 2315459466 BCBUHNXSNPXRHX-WKEGUHRASA-N 461.394 6.630 50 10 JKGE CC12CC(C1)[C@@H]([C@H](Cl)c1c(Br)sc(Br)c1Br)CO2 2315914801 SOFJCXFPMGBWRN-XGBXWEAYSA-N 479.459 6.131 50 10 JKGE Cc1cc(Cl)c(Br)cc1[C@H](Br)c1csc(C)c1Br 2320488210 BKCCYSWQSNFDCO-ZDUSSCGKSA-N 473.455 7.028 50 10 JKGE COc1ccc(C=NNC(=O)c2cccc([N+](=O)[O-])c2)cc1OCc1ccc(Cl)cc1Cl 2321680736 YCAAZPKAWKSZGU-UHFFFAOYSA-N 474.300 5.253 50 10 JKGE CC1(C)C[C@H]2C[C@@](C)(CN2C=C(C#N)C(=O)N2CCN(C(c3ccccc3)c3ccccc3)CC2)C1 2324607212 TZYDHGTWEKTHIL-JTSJOTPCSA-N 482.672 5.228 50 10 JKGE CC(C)C[C@H](CBr)COCc1cc(I)ccc1Br 2328549201 SJLGMUVAISEEGU-LLVKDONJSA-N 490.017 5.628 50 10 JKGE CCOc1cc(C=NNC(=O)[C@H](CC(C)C)NC(=O)OC(C)(C)C)ccc1OCc1ccccc1C 2328824690 VPYXBKFBQYUQIK-QHCPKHFHSA-N 497.636 5.362 50 10 JKGE O=C(c1csc(Br)c1Br)N1CC[C@H]2CC[C@@H](Br)[C@@H]1C2 2330966556 JWAOHPQTQVWFTL-QNSHHTMESA-N 472.040 5.051 50 10 JKGE Cc1ccc(-c2csc(C(C#N)=C(O)C=Cc3ccc(OCc4ccccc4)cc3)n2)c(C)c1 2331311072 MFJBLTWIFSJZGL-UHFFFAOYSA-N 464.590 7.512 50 10 JKGE N#CC(=C(O)CCCOc1ccc(Cl)cc1Cl)c1nc(-c2ccc3c(c2)OCCO3)cs1 2331330716 DEFHLUHTTAWKSE-UHFFFAOYSA-N 489.380 6.540 50 10 JKGE COc1c(Cl)cc(Cl)cc1-c1csc(C(C#N)=C(O)c2cccc(Oc3ccccc3)c2)n1 2331364187 PKDMDQDAWSPQJI-UHFFFAOYSA-N 495.387 7.868 50 10 JKGE CCOc1ccc(OCC)c(-c2csc(C(C#N)=C(O)CCCOc3c(C)cccc3C)n2)c1 2331376597 WNCMFEJMIPYDEL-UHFFFAOYSA-N 478.614 6.876 50 10 JKGE CCCc1ccc(OCC(O)=C(C#N)c2nc(-c3cc(OC)c(Cl)cc3OC)cs2)cc1 2331376850 CSRGMOGWJDAGES-UHFFFAOYSA-N 470.978 6.305 50 10 JKGE COc1c(Cl)cc(-c2csc(C(C#N)=C(O)c3ccc(OC(C)=O)cc3)n2)cc1Cl 2331397539 NLNRZZBMJXCZQV-UHFFFAOYSA-N 461.326 6.001 50 10 JKGE CCCCOc1ccc(C(O)=C(C#N)c2nc(-c3ccc(Cl)s3)cs2)cc1OCC 2331402423 ZJDYGVFOVYPFCH-UHFFFAOYSA-N 461.008 7.052 50 10 JKGE CCCCCCOc1ccc(C=C(C#N)c2nc(-c3ccc4ccccc4c3)cs2)cc1OC 2331417242 ZIRVJQCPMGZEEZ-UHFFFAOYSA-N 468.622 7.995 50 10 JKGE N#CC(=Cc1ccc(OCc2ccccc2Cl)cc1)c1nc(-c2ccc3c(c2)OCO3)cs1 2331453781 JLCXIGCFBLEWER-UHFFFAOYSA-N 472.953 6.835 50 10 JKGE C[C@]1([C@H](Br)c2ccc(OCc3ccccc3)cc2Br)CCCC(F)(F)C1 2336047965 QBPYLYYVRUONQQ-UXHICEINSA-N 488.210 7.680 50 10 JKGE Cc1cc(C)c([C@H](Br)c2c(Cl)cc(Br)c(F)c2Br)s1 2337088607 NSMJDCUXBXAEDH-LLVKDONJSA-N 491.445 7.167 50 10 JKGE CC(C)(C)c1cccc([C@@H](Br)c2sc(Cl)cc2I)c1 2338772137 DEVNASCZMSTACS-CYBMUJFWSA-N 469.613 6.788 50 10 JKGE Cc1ccc(CBr)c(OCc2cc(I)ccc2Br)c1 2341778204 BMYBZJZAXRBWDC-UHFFFAOYSA-N 495.980 5.836 50 10 JKGE Cc1cccc([C@@H](Br)c2c(F)cc(Cl)c(Br)c2Cl)c1Cl 2360493647 RFXHUMVQXQCXHQ-LLVKDONJSA-N 461.383 7.341 50 10 JKGE Fc1c(Br)cc(Cl)c([C@H](Cl)CC(F)(F)C(F)(F)F)c1Br 2362234333 GPHDYALKLRSSSU-RXMQYKEDSA-N 468.844 6.872 50 10 JKGE Cc1cc(Br)c(F)c(Br)c1[C@@H](Br)[C@@H]1COCCC1(F)F 2365177657 BYXAKTCATZZEHX-XVKPBYJWSA-N 480.944 5.767 50 10 JKGE COc1c(Br)cc(C)c([C@H](Br)[C@H]2C3C[C@@H]4C2[C@@H]4C3)c1Br 2365192110 AGXJZPFQGUHFTL-VQRSXCSQSA-N 465.023 5.867 50 10 JKGE CC/C(=N\NC(=O)COc1ccc2cc(Br)ccc2c1Br)c1ccccc1 12491435 TXYCTNPIRJJKKQ-HKOYGPOVSA-N 490.195 5.674 50 10 JKGE CCCCCC1CCC(c2ccc(C(=O)Oc3ccc(/C=N/C(C#N)=C(\N)C#N)cc3)cc2)CC1 22022837 KUMQUJJOVAFTFJ-CQEZMUKXSA-N 468.601 6.396 50 10 JKGE COC(=O)c1c(NC(=O)/C(C#N)=C\c2ccc(-c3ccc(F)cc3)o2)sc2c1CCCC2 33339707 KSIKMKIFXKBCQS-QINSGFPZSA-N 450.491 5.358 50 10 JKGE CC(C)(C)c1ccc([C@@H]2C[C@@H]2C(=O)N/N=C/c2ccc(-c3cc([N+](=O)[O-])ccc3Cl)o2)cc1 33672231 UMDYPTFZMHAFTN-MTIXRXNYSA-N 465.937 6.060 50 10 JKGE CCCCOc1ccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)Cc4ccc(OC)cc4)ccc32)cc1 38650881 HVZUQAXATQOVAG-MUUNZHRXSA-N 484.552 5.240 50 10 JKGE C[C@@H](Oc1ccccc1F)C(=O)Oc1ccc2c(c1)OC(N)=C(C#N)[C@@H]2c1cccc2ccccc12 38657823 DIYYELKOHJSRIJ-XGCWNURASA-N 480.495 5.570 50 10 JKGE CCCCOc1ccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4cccs4)ccc32)cc1OC 38660111 SOJZYRCKCAGLLV-XMMPIXPASA-N 476.554 5.373 50 10 JKGE CCc1ccc(O[C@H](C)C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@@H]3c2ccc(CC)cc2)cc1 38677527 DGLOKUVPBRZOIZ-DNOBIOAJSA-N 468.553 5.402 50 10 JKGE Cc1ccc2cccc(OC(=O)c3oc4c(c3C)/C(=N/NC(=O)c3ccc(F)cc3)CCC4)c2n1 40811958 GDZJMKQDLLZKKB-TWKHWXDSSA-N 471.488 5.273 50 10 JKGE Cc1ccc(C(C)C)c(OCC(=O)NNC(=O)COc2ccc(C(C)(C)CC(C)(C)C)cc2)c1 40844446 DOQYXOFFWCLNHI-UHFFFAOYSA-N 468.638 5.437 50 10 JKGE CCc1cc([N+](=O)[O-])ccc1-c1ccc(/C=C(\C#N)C(=O)Nc2ccc(Br)cc2)o1 58833206 OPVCWDJEJYVGDE-NTCAYCPXSA-N 466.291 5.725 50 10 JKGE COc1cc(/C=C(\C#N)C(=O)Nc2cccc(C)c2)ccc1OCc1ccc(Br)cc1 59432805 QGARCTWXIDMROC-DEDYPNTBSA-N 477.358 5.891 50 10 JKGE Fc1cc([C@H](Br)c2ccc(Br)cc2F)c(F)cc1Br 70474492 QTJGVCJVPCSMDM-CYBMUJFWSA-N 458.897 6.113 50 10 JKGE CCN(CC)CCOc1ccc([C@H](c2ccccc2)[C@H](Cl)c2ccc(O)c(OC)c2)cc1 95934560 PEXJBROMVLFYHY-RRPNLBNLSA-N 454.010 6.233 50 10 JKGE BrC[C@@H](CCOc1ccc(Br)cc1)Cc1ccccc1Br 97185954 NHQXSNWPEVKSMO-ZDUSSCGKSA-N 477.034 6.234 50 10 JKGE Cc1ccc([C@H](C(=O)NC2CCC(C)CC2)N(CCc2ccccc2Cl)C(=O)CCl)cc1 97914734 YMFLZHWSIUHTQF-OWZGOFHBSA-N 475.460 5.695 50 10 JKGE Cc1c(Cl)cccc1N/C=C(\C#N)c1nc(-c2cc3cc([N+](=O)[O-])ccc3oc2=O)cs1 100108545 RGGWTZRFRRFCCT-GXDHUFHOSA-N 464.890 5.763 50 10 JKGE CCc1ccc(N2C(=O)[C@H](Cc3ccccc3Cl)S/C2=C(/C#N)C(=O)Nc2ccccc2)cc1 101244367 QAXFHJASDGCMIO-MZOFLMDJSA-N 488.012 5.967 50 10 JKGE CCCCCCCOc1ccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4cccs4)ccc32)cc1 101377814 GNNFEXUYTDOTDK-AREMUKBSSA-N 488.609 6.535 50 10 JKGE CC(C)Cc1ccc(-c2csc(/C(C#N)=C\Nc3ccccc3SC(F)(F)F)n2)cc1 102420395 HMICAIJVUAXVSC-AQTBWJFISA-N 459.562 7.597 50 10 JKGE O=C(N/C(=C\c1ccc(Cl)cc1)P(=O)(c1ccccc1)c1ccccc1)c1ccccc1 103468024 CABXEBKNOCYUFI-LHLOQNFPSA-N 457.897 6.083 50 10 JKGE COc1cc(Br)c(OC[C@H](CBr)c2ccccc2)cc1Br 118817059 HYFGYWFVDJKXKM-LBPRGKRZSA-N 479.006 5.778 50 10 JKGE COc1ccc([C@@H](Br)c2c(F)cccc2Br)c(OC)c1Br 161231304 ULUPOWJDIKTQTI-CYBMUJFWSA-N 482.969 5.852 50 10 JKGE COc1cccc(CN(C(=O)CCl)[C@H](C(=O)N[C@@H]2CCC[C@@H](C)[C@@H]2C)c2ccc(F)cc2)c1 169692684 QEBWVOUNMHLUBH-NJLIDXMJSA-N 475.004 5.084 50 10 JKGE COC(=O)c1c(NC(=O)/C(C#N)=C\c2ccc3noc(-c4ccccc4)c3c2)sc2c1CCCC2 209397508 KCLZBCSYRTVZRW-AQTBWJFISA-N 483.549 5.767 50 10 JKGE CCCCSc1ccc(-c2nn(-c3ccccc3)cc2/C=C2\C(=O)N(CC)C(=O)C(C#N)=C2C)cc1 214210450 GIGGSLIXODFRKX-UQQQWYQISA-N 496.636 6.044 50 10 JKGE CCc1cccc(C)c1NC(=O)/C(C#N)=C\Nc1ccc(-c2nc3ccc(C)cc3s2)cc1 217220399 XFKFYCKEGPQPBV-PGMHBOJBSA-N 452.583 6.601 50 10 JKGE CC(C)Cc1ccc([C@H](Br)c2cc(Br)cc(Br)c2)cc1 232618988 XJFBOTWZIOTYRH-KRWDZBQOSA-N 461.035 6.894 50 10 JKGE CCOc1ccc([C@@H](Br)c2ccc(F)c(Br)c2)c(Br)c1 233819411 MNULFXLXYIIFQQ-HNNXBMFYSA-N 466.970 6.234 50 10 JKGE Cc1cccc(C(=O)NN=Cc2cc(Br)ccc2OC(=O)/C=C/c2ccccc2)c1 252637842 XXIPYJMRYOMKSF-IWMLTARWSA-N 463.331 5.140 50 10 JKGE Cc1ccc(C)n1-c1cccc(C(=O)NN=Cc2ccc(-c3ccc(Br)cc3)o2)c1 254612260 OKHGQUYUGZEIEK-UHFFFAOYSA-N 462.347 5.881 50 10 JKGE COc1cc(F)c(Br)cc1[C@H](Br)c1ccccc1OCc1ccccc1 312121289 VIDGCCFHMJMAOV-OAQYLSRUSA-N 480.171 6.660 50 10 JKGE ClCc1nc2cc(I)ccc2n1Cc1ccc(OCc2ccccc2)cc1 313511194 LWXJRQOQSATNIS-UHFFFAOYSA-N 488.756 6.007 50 10 JKGE C[C@H]1C[C@H](n2c(CCCl)nc3cc(I)ccc32)CN1Cc1ccccc1 398006941 QVYUQVFBGBTTSY-YJBOKZPZSA-N 479.793 5.258 50 10 JKGE Cl[C@H](c1cscc1Br)c1cc(Br)sc1Br 404791338 HIWBEXZDJPATKA-QMMMGPOBSA-N 451.430 6.425 50 10 JKGE Clc1cc([C@@H](Br)c2csc(Br)c2)c(Cl)c(Cl)c1Cl 404983444 HEFRTYWEWLKMIF-QMMMGPOBSA-N 469.840 7.609 50 10 JKGE CC(C)(C)OC(=O)Nc1ccccc1[C@H]1CCc2ccccc2N1CCO[Si](C)(C)C(C)(C)C 616596326 VORYKJYCEQJAEF-RUZDIDTESA-N 482.741 7.549 50 10 JKGE COCCc1ccc([C@@H](Br)c2scc(Br)c2Br)cc1 705461599 BTFGDYQCMUCKMH-GFCCVEGCSA-N 469.036 5.946 50 10 JKGE CN(Cc1ccccc1)[C@H](Cn1c(CCl)nc2cc(I)ccc21)C1CC1 717973195 BHKOLLYORJBOHS-HXUWFJFHSA-N 479.793 5.290 50 10 JKGE CN(Cc1ccccc1)[C@H](Cn1c(CCl)nc2cc(F)c(Br)cc21)C1CC1 717998839 USDVPQGKLBSDEZ-HXUWFJFHSA-N 450.783 5.587 50 10 JKGE Cc1cc(C=NNC(=O)c2ccc(CSc3ccccc3)cc2)c(C)n1-c1cccc(Cl)c1 1084055665 FXOXBSQXFCUNAX-UHFFFAOYSA-N 474.029 6.804 50 10 JKGE CC(=NNC(=O)c1ccc(NC(=O)C2CCCCC2)cc1)C(c1ccccc1)c1ccccc1 1084185504 HADCIOHGEWXHMC-UHFFFAOYSA-N 453.586 6.143 50 10 JKGE CCOc1ccc([C@H](O)CCC(=O)NN=Cc2cc(C)n(-c3ccc(N(CC)CC)cc3)c2C)cc1 1084231334 SGMOXNGBQKNYKY-MUUNZHRXSA-N 490.648 5.303 50 10 JKGE Cc1ccc(NC(=O)c2oc3c(c2C)C(=NNC(=O)c2cncc(Br)c2)CCC3)c(C)c1 1772748447 XWJLEYMVJTYHPO-UHFFFAOYSA-N 495.377 5.085 50 10 JKGE CC(C)CCC[C@@H](C)[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@@]21C 1848665544 XOLVVFSHDULKRS-FNOCPIAGSA-N 477.173 8.567 50 10 JKGE CCOc1cc([C@@H]2C(C#N)=C(N)Oc3c2c(-c2ccccc2)nn3Cc2cccc(Cl)c2)ccc1O 1865680989 BTPNEBVDIZMPBD-XMMPIXPASA-N 498.970 5.574 50 10 JKGE Cc1ccc(COc2ccc([C@@H]3C(C#N)=C(N)Oc4c3c(C)nn4-c3cccc(Cl)c3)cc2)cc1 1865694381 XHIRTGDGFSRHGY-AREMUKBSSA-N 482.971 5.940 50 10 JKGE CCCc1nn(-c2ccccc2Cl)c2c1[C@H](c1ccc(OC(C)C)c(OC)c1)C(C#N)=C(N)O2 1865696558 HMHUDVQQJLKICH-HSZRJFAPSA-N 478.980 5.492 50 10 JKGE CCOc1cc(/C=C(\C#N)c2nc3ccccc3n2CC)ccc1OCc1cccc(Cl)c1 1872731209 TUVOPEAXWYOSBH-KGENOOAVSA-N 457.961 6.751 50 10 JKGE CC[C@H](C)[C@H](/C(O)=C(\C#N)c1nc(-c2ccc3ccccc3c2)cs1)N1C(=O)c2ccccc2C1=O 1872745670 XPDZEYOKQPOVCI-LACGIFFPSA-N 493.588 6.467 50 10 JKGE N#C/C(=C(/O)CCCCCNC(=O)c1ccccc1)c1nc(-c2cccc(Br)c2)cs1 1872747065 MFCYWTRDEXYRNB-XDOYNYLZSA-N 496.430 6.356 50 10 JKGE COc1cc(C)c(-c2csc(/C(C#N)=C(\O)c3cc([N+](=O)[O-])cc([N+](=O)[O-])c3)n2)cc1C 1872758071 JZRDQDADZMAVIS-JZJYNLBNSA-N 452.448 5.202 50 10 JKGE CCCOc1ccc(-c2csc([C@H](C#N)C(=O)/C(C#N)=C/c3ccccc3)n2)cc1OCCC 1872766339 FQYPQYZXIPKAFX-QJUACMODSA-N 471.582 6.171 50 10 JKGE Cc1ccccc1COc1ccc(/C=C(\C#N)c2nc(-c3cccc4ccccc34)cs2)cc1 1872792409 WZLCKXUJBZUMPS-KOEQRZSOSA-N 458.586 7.915 50 10 JKGE Cl[C@H](c1cc(I)sn1)c1sc(Br)cc1Br 1909890106 YTCPBBUSAJKTDI-SSDOTTSWSA-N 499.418 5.662 50 10 JKGE CN(C[C@H](Br)COCc1ccccc1)C(=O)c1cc(C(F)(F)F)ccc1Cl 1916370421 MMEQCYMNYWOZHG-HNNXBMFYSA-N 464.709 5.411 50 10 JKGE Cl[C@@H](c1ncsc1Br)c1sc(Br)cc1Br 1922896943 JNGSHQWJGMSNJZ-YFKPBYRVSA-N 452.418 5.820 50 10 JKGE Cc1c(Br)sc([C@H](Br)c2ccc(C3CC3)cc2)c1Br 1922934884 KNDUTDCSLWMHAG-CYBMUJFWSA-N 465.048 6.943 50 10 JKGE Clc1c(Br)sc(Br)c1[C@H](Cl)c1nscc1Br 1923054622 HXRUVWXYQTXXNR-BYPYZUCNSA-N 486.863 6.474 50 10 JKGE Clc1c(Br)sc(Br)c1[C@H](Br)[C@]12CCC[C@@H]1OCC2 1923062646 RPWPGPHVZNYHTF-HQLZOWSPSA-N 479.459 6.322 50 10 JKGE C[C@@H]1CC[C@@H]([C@@H](Br)c2c(Br)sc(Br)c2Cl)C1 1923070431 AKDFMOPIKXSTJM-ATRFCDNQSA-N 451.449 6.799 50 10 JKGE C[C@@H]1CCC[C@@H]1[C@H](Cl)c1c(Br)sc(Br)c1Br 1924580428 RRILCKADWPXMJR-JHEQGTHGSA-N 451.449 6.752 50 10 JKGE Brc1cccnc1C[C@H](Br)c1csc(I)c1 1924901174 SIMSQPJFVVEYQC-VIFPVBQESA-N 472.971 5.189 50 10 JKGE O=C(N[C@H](CBr)CC1CCCC1)c1c(Br)cccc1Br 1926740669 MPQDLSUWWPFAAJ-NSHDSACASA-N 468.027 5.285 50 10 JKGE Clc1cc(Br)c([C@@H](Br)c2csc(Br)c2)s1 1933588871 RJWMTYAXXGZLJJ-QMMMGPOBSA-N 451.430 6.472 50 10 JKGE Brc1ccc([C@@H](Br)Cc2nccs2)c(I)c1 1995286824 YYSVCFPFNLGKMQ-VIFPVBQESA-N 472.971 5.189 50 10 JKGE CC1(C)C[C@@H]([C@@H](Cl)c2c(Br)sc(Br)c2Br)CO1 1997141284 FEHJFTIBCDOYNX-SVGQVSJJSA-N 467.448 6.131 50 10 JKGE COc1sc([C@H](Cl)c2cc(Br)cc(Br)c2)cc1Br 2034630024 SEANRTJAXQILKA-LLVKDONJSA-N 475.427 6.372 50 10 JKGE C[C@H]1OC2(C)CC1([C@H](Cl)c1c(Br)sc(Br)c1Br)C2 2038996108 HXFJFQMCWBZIOP-ZHDDEWITSA-N 479.459 6.273 50 10 JKGE Cc1sc(Br)c([C@@H](Br)c2ccc(F)c(Br)c2)c1C 2039501400 WKLRJRYZNCNQPY-LBPRGKRZSA-N 457.000 6.513 50 10 JKGE C[C@@]1([C@@H](Br)c2cc(Br)c(Br)s2)CCCCC1(F)F 2048987794 OZRFQJMLRJZRJZ-ONGXEEELSA-N 467.011 6.925 50 10 JKGE Fc1cccc(C(F)(F)F)c1-n1nc(CCl)c(I)c1C(F)(F)F 2079211800 BDWSPTKIXJOFBR-UHFFFAOYSA-N 472.529 5.392 50 10 JKGE Fc1cc(Cl)c([C@@H](Br)c2csc(Br)c2Br)cc1Cl 2083781583 XIYWRQLTCDBOLA-SECBINFHSA-N 497.836 7.203 50 10 JKGE Clc1cc(Oc2c(CBr)ccc(Br)c2Cl)ccc1Br 2098112385 WEZRNHJVTIXCRG-UHFFFAOYSA-N 489.816 7.206 50 10 JKGE COc1cc(Cl)c([C@@H](Br)c2cscc2OCc2ccccc2)cc1OC 2100091999 MNJRLSGKQFZFPW-HXUWFJFHSA-N 453.785 6.482 50 10 JKGE CN(c1c(CCl)ccc(Br)c1Cl)[C@H]1CC(C)(C)[C@H]1OCc1ccccc1 2100212344 YZBNYHJENZOQJM-PXNSSMCTSA-N 457.239 6.661 50 10 JKGE Cc1cc(Br)c([C@H](Br)[C@@H]2COCCC2(F)F)cc1Br 2110385895 AKCOPEBRQXKPHV-CABZTGNLSA-N 462.954 5.628 50 10 JKGE Brc1cnc(N2CCC[C@@H]3CC[C@H](Br)C[C@H]32)c(Br)c1 2110684870 CDXNSKWBADPTPM-GBIKHYSHSA-N 453.016 5.139 50 10 JKGE Cc1cc(Br)c([C@H](Br)[C@@]2(C)CCCC2(F)F)cc1Br 2111642855 HDSKHBJCZHZKDY-QWHCGFSZSA-N 460.982 6.782 50 10 JKGE COc1ccc([C@H](Br)c2cc(I)ccc2F)cc1Cl 2113359184 YUONYPCOZNULPY-AWEZNQCLSA-N 455.492 5.577 50 10 JKGE C[C@@H](CCCCCI)NC(=O)c1c(Cl)cccc1Br 2117881709 JYSROQVQHBPVQW-JTQLQIEISA-N 458.565 5.216 50 10 JKGE Clc1cc(Br)cnc1COc1cccc(CBr)c1Br 2127187418 GSQZGMVLDJFRME-UHFFFAOYSA-N 470.386 5.734 50 10 JKGE FCCOc1cccc([C@@H](Br)c2cc(Br)sc2Br)c1 2132980646 FBYSBRCFXIXHAY-GFCCVEGCSA-N 472.999 6.106 50 10 JKGE Cc1cc(Cl)c(Br)cc1[C@H](Br)c1cc(Cl)ccc1Br 2137643459 SERJENKSTVYTBR-AWEZNQCLSA-N 487.844 7.311 50 10 JKGE CN(Cc1ccc(I)c(Cl)c1)[C@H](CCBr)C(F)(F)F 2142945688 XKSRPHTVSQCIRB-LLVKDONJSA-N 470.498 5.092 50 10 JKGE Fc1cccc(C[C@H](CBr)Cc2c(Br)cccc2Br)c1 2150493632 CIDKOQNDJKNIFX-LBPRGKRZSA-N 464.998 6.147 50 10 JKGE Clc1cc(Br)cc(COc2c(Cl)cc(Cl)cc2CBr)c1 2166823010 CVBZXLQHOMWFTJ-UHFFFAOYSA-N 459.392 6.883 50 10 JKGE CCOc1ccc([C@H](Br)c2nn(C)c(Br)c2C)c(Br)c1 2168217343 ZSWZKZCWRSLEEL-LBPRGKRZSA-N 466.999 5.137 50 10 JKGE Brc1cc(Br)cc([C@@H](Br)Cc2ccc3c(c2)CCO3)c1 2168652311 GRBWVHSULSWMOG-HNNXBMFYSA-N 460.991 5.825 50 10 JKGE Brc1cccc(Br)c1O[C@@H]1C[C@@H](Br)[C@@]12CCCC21CC1 2173658912 LOJDFSKPHOICSK-IOASZLSFSA-N 465.023 6.077 50 10 JKGE Cc1cc(Br)c(C)c([C@H](Br)C(C)(C)C2CCCC2)c1Br 2201065427 QJAJBABKTNCEAF-INIZCTEOSA-N 467.083 7.481 50 10 JKGE Cc1cc2sc([C@H](Br)c3ccc(Br)c(C)c3Br)cc2s1 2203685779 REUDYDNLLZZSHF-OAHLLOKOSA-N 495.099 7.589 50 10 JKGE Brc1cc([C@H](Br)[C@H]2C[C@H]3CCC[C@H](C3)C2)sc1Br 2218346448 OKAQSPDAOTZCGC-BSTOTGJRSA-N 457.069 6.926 50 10 JKGE Cc1ccc([C@H](Cl)c2sc(Br)c(C)c2C)cc1I 2218781866 PJXPYAFCBPMXRP-LBPRGKRZSA-N 455.586 6.369 50 10 JKGE Cc1c(Br)sc([C@H](Cl)c2ccc(Br)cc2Br)c1C 2218787029 FTNMUZLEAIEFHL-LLVKDONJSA-N 473.455 6.981 50 10 JKGE Cc1c(Br)sc([C@@H](Cl)c2cc(Br)ccc2Br)c1C 2218787744 MLBHTBUSHBDGNQ-NSHDSACASA-N 473.455 6.981 50 10 JKGE CCOC1CC([C@H](Br)c2c(Br)cc(Cl)c(Cl)c2Cl)C1 2224318059 SXFUEAAMABPFLV-OGIFLDNPSA-N 451.413 6.660 50 10 JKGE CCCCCCCC[C@@H](Br)c1cc(Br)c(Br)cc1F 2225616576 GPPYQAKAVXFNPF-GFCCVEGCSA-N 459.035 7.537 50 10 JKGE Fc1ccc(Cl)c(F)c1[C@@H](Br)c1ccc(Br)cc1Br 2226565067 IQDRMKASWMFWLS-LBPRGKRZSA-N 475.352 6.628 50 10 JKGE C[C@@H](Cl)c1nc2cc(Cl)c(Cl)cc2n1C[C@@H]1CC1(Br)Br 2233042913 ZFGAWFBRXZTJFT-RQJHMYQMSA-N 461.412 6.149 50 10 JKGE Cc1cc(Br)c([C@H](Cl)Cc2cccc(Br)c2)c(C)c1Br 2235606619 WPZYQYAKWJZNPD-CQSZACIVSA-N 481.453 7.114 50 10 JKGE COc1ccc([C@@H](Br)Cc2cc(Br)cc(Br)c2)s1 2263449758 DAKVLTGXQHEEOS-NSHDSACASA-N 455.009 5.960 50 10 JKGE Cc1ccccc1[C@H](Br)c1c(F)cc(Br)c(F)c1Br 2272728475 XYHQWKJAAQPBMZ-LBPRGKRZSA-N 454.934 6.283 50 10 JKGE COc1c([C@@H](Br)c2ccsc2Br)cc(Br)c2c1CCC2 2284513296 AWYMMPYJTXSYAD-ZDUSSCGKSA-N 481.047 6.255 50 10 JKGE Cc1cc(Br)c(C)c([C@@H](Br)[C@@]23C[C@@H](CO2)C3(C)C)c1Br 2289304050 DYHWPRXMKKSRJU-DRZCJDIDSA-N 467.039 6.080 50 10 JKGE Cc1ccc(C(=O)Oc2ccc(C=C(C#N)C(=O)Nc3cc(Cl)ccc3Cl)cc2)cc1 2293038622 PKRVTWKMKSHGGZ-UHFFFAOYSA-N 451.309 6.067 50 10 JKGE N#CC(=Cc1cccc(OC(=O)c2ccccc2Cl)c1)C(=O)Nc1cccc(C(F)(F)F)c1 2294519814 KARGNWJRKCHMEQ-UHFFFAOYSA-N 470.834 6.124 50 10 JKGE N#CC(=Cc1cc(Cl)c(OCc2ccccc2)c(Cl)c1)C(=O)Nc1ccccc1Cl 2297624591 HOMHBMCQFONCJR-UHFFFAOYSA-N 457.744 6.771 50 10 JKGE Cc1cc([C@@H](Br)c2ccc(OCc3ccccc3)cc2Br)sc1C 2299491414 AFKQYUCNUHACKK-FQEVSTJZSA-N 466.238 7.191 50 10 JKGE Brc1ccc(OCc2ccccc2)c([C@H](Br)[C@@]23CC[C@@H](CO2)C3)c1 2299499377 XQXMMYLVKRBHQA-XPGWFJOJSA-N 452.186 6.033 50 10 JKGE C[C@@H]1CC[C@H](C[C@@H](Br)c2cc(Br)ccc2OCc2ccccc2)O1 2299536640 ZLWIHCIUAVDSDB-LSBZLQRGSA-N 454.202 6.422 50 10 JKGE Clc1cc(I)c([C@H](Br)c2cccc(Cl)c2Cl)s1 2300954100 SHVVILFPINDGBN-SECBINFHSA-N 482.395 6.797 50 10 JKGE CC1(C)C[C@H](Br)[C@H](Cc2ccc(I)c(Br)c2)C1 2306199961 RTDDKEAXQIFDHL-PWSUYJOCSA-N 472.002 5.796 50 10 JKGE COc1c(Br)cc(C=C(C#N)C(=O)Nc2ccc(C)c(C)c2)cc1Br 2313511276 XOFHHCVKZSCHMU-UHFFFAOYSA-N 464.157 5.383 50 10 JKGE Cc1ccc(NC(=O)C(C#N)=Cc2cc(Cl)c(OCc3ccccc3F)c(Br)c2)cc1 2313568892 YFSPUBBAVXCDNC-UHFFFAOYSA-N 499.767 6.675 50 10 JKGE Cc1ccc(NC(=O)C(C#N)=Cc2cc(Cl)c(OCc3cccc(F)c3)c(Cl)c2)cc1 2313568979 ZYPDYQFMXCMKAJ-UHFFFAOYSA-N 455.316 6.566 50 10 JKGE CCc1ccccc1NC(=O)C(C#N)=Cc1cc(Br)ccc1OCc1ccccc1 2313681099 HRZDPEJQQQEJKY-UHFFFAOYSA-N 461.359 6.136 50 10 JKGE COc1cccc(C=C(C#N)C(=O)Nc2cccc([N+](=O)[O-])c2)c1OCc1cccc(Cl)c1 2313738672 NTUKVNMXBSGDOJ-UHFFFAOYSA-N 463.877 5.381 50 10 JKGE Fc1cc(Cl)c(Br)c(Cl)c1[C@H](Br)c1ncsc1Br 2313745166 MJWLKORNVMOEDH-ZETCQYMHSA-N 498.824 6.598 50 10 JKGE CCOC(=O)c1c(-c2ccccc2)csc1NC(=O)C(C#N)=Cc1c[nH]nc1-c1ccccc1 2314480941 XVCINTJTXSHPIG-UHFFFAOYSA-N 468.538 5.528 50 10 JKGE N#CC(=Cc1ccc(N2N=C(c3ccccc3)C[C@@H]2c2ccccc2)cc1)c1ccc(Cl)cc1 2314482271 FJSJHSRGDQOSMQ-SSEXGKCCSA-N 459.980 7.760 50 10 JKGE COc1cc(C=C(C#N)c2nc(-c3ccc(C)cc3)cs2)ccc1OCC(=O)Nc1ccccc1 2314487192 FBDHPHXAHBBYFF-UHFFFAOYSA-N 481.577 6.209 50 10 JKGE COc1cc(C=C2C(=O)N(CCc3ccccc3)C(=O)C(C#N)=C2C)ccc1OCc1ccccc1F 2314616896 MHSLQFGTONLQSA-UHFFFAOYSA-N 496.538 5.248 50 10 JKGE CCCOc1cccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)C=Cc4ccccc4Cl)ccc32)c1 2314634702 BDBMJVPJFZAMEI-MHZLTWQESA-N 486.955 5.966 50 10 JKGE COc1c(Br)cc(C)c([C@H](Br)C2(Cl)CCC2)c1Br 2317410204 HTZIDAYXJIGVFG-LBPRGKRZSA-N 461.419 6.126 50 10 JKGE CC[C@@H](NC(=O)C(C#N)=CN(Cc1ccccc1)Cc1ccccc1)c1ccc2c(c1)CCCC2 2325092468 VOTDMEUJNSQFMZ-SSEXGKCCSA-N 463.625 6.243 50 10 JKGE COC[C@@H]1C[C@@H](Br)[C@@H](Cc2ccc(I)c(Br)c2)C1 2325221590 HKOHYRGXKDCDSB-SDDRHHMPSA-N 488.001 5.032 50 10 JKGE CC1(C)C[C@H](Br)CCN1Cc1ccc(I)c(Br)c1 2325231955 XRZBBLVRBXHALJ-LLVKDONJSA-N 487.017 5.192 50 10 JKGE N#CC(=C(O)CCCN1C(=O)c2ccccc2C1=O)c1nc(-c2ccc3c(c2)CCCC3)cs1 2331240144 WVWARFAEWSPSKN-UHFFFAOYSA-N 469.566 5.558 50 10 JKGE N#CC(=C(O)CCCCCNC(=O)c1ccccc1)c1nc(-c2ccc(Br)cc2)cs1 2331260061 ISOSXBIYODYBDP-UHFFFAOYSA-N 496.430 6.356 50 10 JKGE C[C@H](c1ccccc1)N1C[C@@H](C(O)=C(C#N)c2nc(-c3ccc([N+](=O)[O-])cc3)cs2)CC1=O 2331281121 KABALVAEBRXGTA-QAPCUYQASA-N 460.515 5.121 50 10 JKGE N#CC(=C(O)CCCCCNC(=O)c1ccccc1)c1nc(-c2c[nH]c3ccccc23)cs1 2331349150 WISQCECPHNXFIE-UHFFFAOYSA-N 456.571 6.074 50 10 JKGE CCOc1cc(C=C(C#N)c2nc(-c3ccc4ccccc4c3)cs2)ccc1OCc1ccccc1 2331416967 PTMDQNIHPKXJFX-UHFFFAOYSA-N 488.612 8.005 50 10 JKGE CCOc1cc(C=C(C#N)c2nc(-c3ccc(CC)cc3)cs2)ccc1OCC(=O)N(CC)CC 2331418429 QVQSPGAMUXUQQK-UHFFFAOYSA-N 489.641 6.083 50 10 JKGE N#CC(=Cc1cc(Br)ccc1F)c1nc(-c2ccc(Br)cc2)cs1 2331430468 XYPJFJWKYIFLMW-UHFFFAOYSA-N 464.157 6.538 50 10 JKGE COc1cc(C=C(C#N)c2nc(-c3ccc(C)c(C)c3)cs2)ccc1OCCc1ccccc1 2331472767 SSKBBGSEDJQVMA-UHFFFAOYSA-N 466.606 7.121 50 10 JKGE Cc1cc(Br)c(F)c(Br)c1[C@H](Br)Cc1ccccc1 2339645378 HNGAJAYZXHOETE-LLVKDONJSA-N 450.971 6.338 50 10 JKGE Cc1cc(Br)c(F)c(Br)c1[C@H](Br)c1nn(C)cc1Cl 2339655224 XVMQVZZAYZWJLP-JTQLQIEISA-N 475.381 5.530 50 10 JKGE C[C@H](c1ccncc1F)[C@@H](Br)c1c(Br)cccc1Br 2344699244 QUERLBFKOSLPTC-XLKFXECMSA-N 451.959 5.985 50 10 JKGE BrC[C@@]1(Cc2ccc(I)c(Br)c2)CCCC12CCC2 2349845237 NCMKAHINKOODBO-INIZCTEOSA-N 498.040 6.332 50 10 JKGE O=C(c1cc(Br)sc1Br)N1CC[C@H](Cl)C[C@@H]1C(F)(F)F 2361444898 TWFMRGHTKUXAKB-CAHLUQPWSA-N 455.521 5.047 50 10 JKGE CCc1ccc(OC)c([C@@H](Cl)c2ccc(I)c(Br)c2)c1 2361927130 SZBLGOTZMALOJB-INIZCTEOSA-N 465.556 5.953 50 10 JKGE Fc1c(Br)cc(Cl)c([C@@H](Cl)[C@H]2[C@@H]3[C@H]2CCC3(F)F)c1Br 2362239895 WNVHXXWIERJQSH-UHBGNKQESA-N 452.923 6.575 50 10 JKGE COc1c(Br)cc(Cl)cc1[C@H](Br)c1c(Br)nc(C)n1C 2362482394 FCQFVTJDUZLEIW-JTQLQIEISA-N 487.417 5.400 50 10 JKGE Cc1cc(Br)c(F)c(Br)c1[C@H](Br)[C@@]12CC[C@@](C)(C1)OC2 2365190109 BDCODRBMUFDSCM-KKUMJFAQSA-N 471.002 6.054 50 10 JKGE Cc1cc(Br)c(F)c(Br)c1[C@H](Br)[C@H]1[C@H]2CCCCC[C@H]21 2365223882 RXYKPFHKKZSLGA-DJBIQUGXSA-N 469.030 6.921 50 10 JKGE FC(F)(F)[C@@H]1[C@@H](Br)CCCN1Cc1c(Br)cccc1Br 2370291563 IXEABCBZQAYDJD-RYUDHWBXSA-N 479.960 5.502 50 10 JKGE CCCN(C[C@@]1(CBr)CC1(F)F)C1C[C@@H]2CC[C@H](C1)N2C(=O)OC(C)(C)C 2379981837 PNETYFBYFOWKFE-IEBWDACRSA-N 451.396 5.049 50 10 JKGE CC1(C)CCC(C)(C)[C@@H](Cc2cc(I)ccc2Cl)[C@H]1Br 2380541668 JOZXSDYHSSVMLN-DZGCQCFKSA-N 469.632 6.713 50 10 JKGE C[C@@]1(NCc2ccc(I)c(Br)c2)C[C@H]2CC[C@H]1C[C@@H]2Cl 2381108495 FVNOCIQMLNZSBR-TWJWRFFLSA-N 468.604 5.329 50 10 JKGE O=C(N/N=C/C(Cl)=C/c1ccccc1)c1ccc(N/N=C/C(Cl)=C/c2ccccc2)cc1 3275115 CFEUJCDNAHZPSL-AEGBGJNRSA-N 463.368 6.360 50 10 JKGE N#C/C(=C\c1ccc(OCc2ccc(Br)cc2)cc1)C(=O)Nc1ccc([N+](=O)[O-])cc1O 12555938 RSZIQTDRWAYDSO-GZTJUZNOSA-N 494.301 5.188 50 10 JKGE Cc1ccc(C[C@H]2S/C(=C(\C#N)C(=O)Nc3ccccc3)N(c3ccccc3C)C2=O)cc1Cl 13749762 YDWAOIDBWICRFF-RDKICWGTSA-N 488.012 6.022 50 10 JKGE COc1cc(OC)cc(C(=O)Oc2ccc(/C=C(/C#N)c3ccc(OC)c(OC)c3)cc2OC)c1 31902048 XJBBOAOLKQYANF-JMIUGGIZSA-N 475.497 5.013 50 10 JKGE C=CCOc1ccc(C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@H]3c2ccc(OCCCC)cc2)cc1 38650824 HSNQETQNBOQFJH-NDEPHWFRSA-N 496.563 5.868 50 10 JKGE CCCOc1cccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)[C@H](C)Oc4ccc(CC)cc4)ccc32)c1 38684489 ZJSFIQUJQAACCH-HMILPKGGSA-N 498.579 5.629 50 10 JKGE CCOc1cccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)Cc4cccc5ccccc45)ccc32)c1 38684932 YOULGCKNVBRTLN-LJAQVGFWSA-N 476.532 5.605 50 10 JKGE CCCCC1CCC(C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@H]3c2ccccc2Cl)CC1 38687658 LXSJMAPRXCKIMN-KRFIBBNCSA-N 464.993 6.460 50 10 JKGE N#C/C(=C\c1ccc(-c2ccc(Cl)cc2Cl)o1)C(=O)Nc1ccccc1C(F)(F)F 39884738 WFBSZZLJZMAYSX-FMIVXFBMSA-N 451.231 6.818 50 10 JKGE C=CCOc1ccc(-c2nn(-c3ccccc3)cc2/C=C(\C#N)C(=O)Nc2ccccc2C)c(C)c1 39983467 SXHHIORRNSOQRE-PTGBLXJZSA-N 474.564 6.267 50 10 JKGE Cc1ccc(Cl)cc1Nc1ncnc(NNC(=O)c2ccc(Cl)cc2Cl)c1[N+](=O)[O-] 40592865 VATSJSYBJJQCBI-UHFFFAOYSA-N 467.700 5.154 50 10 JKGE COc1cc(/C=C(/C#N)C(=O)NCc2ccccc2)cc(Br)c1OCc1ccccc1 40889252 PLKGHNGHMRXFIQ-MTJSOVHGSA-N 477.358 5.260 50 10 JKGE CC(C)(C)c1ccc(C(=O)N/N=C/c2ccc(OC(=O)c3cccc(Br)c3)cc2)cc1 48572680 VHMCAYIOAVYJLB-JVWAILMASA-N 479.374 5.730 50 10 JKGE O=C(CC[C@H](O)c1ccccc1)N/N=C\c1cc(Cl)c(OCc2ccccc2Cl)c(Cl)c1 58889397 MGTCMTZQCHSUHX-OADPBGPJSA-N 491.802 6.190 50 10 JKGE O=C(N/N=C/c1ccc(OCc2ccccc2)c(I)c1)c1cc2ccccc2o1 59303630 CBRVUARPNUXMLZ-AFUMVMLFSA-N 496.304 5.380 50 10 JKGE O=C(N/N=C\c1ccc(Oc2ccc(C(F)(F)F)cc2[N+](=O)[O-])cc1)c1cccc2ccccc12 59462961 BQKAUOFNOBRAFT-FDVSRXAVSA-N 479.414 6.323 50 10 JKGE Cc1cccc(C)c1NC(=O)CSc1ccc(/C=N/NC(=O)c2cccc(Br)c2)o1 59507180 FGRRBPUUTZLMSQ-WYMPLXKRSA-N 486.391 5.154 50 10 JKGE CCOc1cc(/C=C(/C#N)C(=O)NCc2cccs2)ccc1OCc1ccc(Cl)cc1Cl 59534353 CDNLXYWRDBQKSZ-ZDLGFXPLSA-N 487.408 6.256 50 10 JKGE Cc1ccc(Br)cc1-n1c(CCl)nc2cc(I)ccc21 97354179 VFZQOQIMCLCRKL-UHFFFAOYSA-N 461.528 5.440 50 10 JKGE C=CCNC(=O)/C(C#N)=C1\S[C@@H](Cc2ccc(Cl)cc2Cl)C(=O)N1c1ccc(C)c(C)c1 101241958 VKJNUVKHZXJNDY-GHIWRQRASA-N 486.424 5.339 50 10 JKGE Brc1ccc([C@H](Br)c2cc(Br)ccc2Br)cc1 109844439 QCGKWHQWLHTZJK-ZDUSSCGKSA-N 483.823 6.458 50 10 JKGE FC(F)(F)c1cccc([C@H](Br)c2cc(Br)sc2Br)c1 109869972 JGAUHBGNHZHFKA-JTQLQIEISA-N 478.953 6.776 50 10 JKGE COc1c(C)cc(Br)c(C)c1[C@H](Br)c1ccc(Br)cc1Cl 125720956 BROOAERJYWSTPH-OAHLLOKOSA-N 497.452 6.975 50 10 JKGE Fc1cc([C@@H](Cl)c2cc(Br)c(Br)s2)ccc1Br 128165822 XXZYSYRLQBDJHB-SNVBAGLBSA-N 463.391 6.503 50 10 JKGE Fc1cc(Cl)ccc1CC(CBr)(CBr)c1ccc(Cl)cc1 164850609 DIPRCCQKPITXNG-UHFFFAOYSA-N 454.992 6.403 50 10 JKGE CC(C)CCOc1cccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)/C=C\c4ccccc4)ccc32)c1 205659309 HRFWOVISZXRDJE-JVTNTXMCSA-N 480.564 5.948 50 10 JKGE COc1ccc([C@@H](Br)c2cc(I)ccc2Br)cc1 234975830 QDWHFTPWIBMNPR-CQSZACIVSA-N 481.953 5.547 50 10 JKGE COc1ccc(N(C(=O)CCl)[C@H](C(=O)N[C@H]2CCCC[C@H]2C)c2ccc(Cl)cc2)cc1 252586140 NUEHDRUECPZKTP-HNKPZJSLSA-N 463.405 5.357 50 10 JKGE CC(=NNC(=O)[C@@H]1C[C@H]1c1ccccc1)c1ccc(NC(=O)c2ccc(Cl)cc2Cl)cc1 254292915 VCWXLGAMONAJQH-FCHUYYIVSA-N 466.368 5.890 50 10 JKGE COc1cc(-c2cc(C(=O)NN=C/C=C/c3ccccc3)[nH]n2)ccc1OCc1ccc(C)cc1 254865493 DOJXZWIXEGGOQF-QGUQXVSSSA-N 466.541 5.402 50 10 JKGE CCCCOc1ccc(C(=O)NN=Cc2c(OC(=O)c3cccc(C)c3)ccc3ccccc23)cc1 263629143 YDQMZJNRHXUHNW-UHFFFAOYSA-N 480.564 6.310 50 10 JKGE C[C@H]1CN(Cc2ccccc2)CCN(c2cc(Br)ccc2CBr)C1 323510550 YKQLMESQSMAXIO-INIZCTEOSA-N 452.234 5.302 50 10 JKGE Fc1cc([C@H](Br)c2cc(I)cc3c2OCC3)ccc1Cl 383335080 OXNLLPUEMBEARV-AWEZNQCLSA-N 467.503 5.503 50 10 JKGE C[C@H]1CN(Cc2ccccc2)C[C@H]1n1c(CCl)nc2cc(I)ccc21 389849436 TYJNWGPXSRIDKF-IFXJQAMLSA-N 465.766 5.073 50 10 JKGE Fc1cc(Br)cc([C@H](Br)c2cc(Cl)c(Cl)c(Cl)c2Cl)c1 404669835 XCNJCROYPISESY-JTQLQIEISA-N 481.801 7.686 50 10 JKGE COc1cc(F)c(Br)cc1[C@H](Br)c1ncsc1Br 698646882 CNSFXPIEDFLIHM-VIFPVBQESA-N 459.960 5.300 50 10 JKGE Brc1csc([C@H](Br)Cc2ccc3ccccc3c2)c1Br 705493082 RPDVEYKDHVNVJB-CYBMUJFWSA-N 475.043 7.105 50 10 JKGE BrCc1cc(Br)ccc1N1C[C@H]2CC[C@H]1[C@H]1CN(Cc3ccccc3)C[C@H]21 705885826 IGULYZKCVZVUMA-CPDIYIAASA-N 490.283 5.691 50 10 JKGE CC(F)(F)CCCOc1c(Br)cc(Br)cc1CBr 718666332 SAJMRTDZGGQFHA-UHFFFAOYSA-N 450.943 5.921 50 10 JKGE Fc1cccc([C@@H](Br)c2ccc(Cl)c(Cl)c2)c1I 721676475 BKSQPAYGQGEIGB-LBPRGKRZSA-N 459.911 6.221 50 10 JKGE O=C(Nc1ccccc1C(=O)NN=Cc1cccc2ccccc12)c1ccc([N+](=O)[O-])c(Cl)c1 1084120545 PAQGJBWYHWRXJZ-UHFFFAOYSA-N 472.888 5.418 50 10 JKGE Cc1cccc(C)c1-n1c(C)cc(C=NNC(=O)C(=O)Nc2ccc(Oc3ccccc3)cc2)c1C 1084175195 JSWZERQHGPDEKV-UHFFFAOYSA-N 480.568 5.592 50 10 JKGE COc1cccc(C=NNC(=O)CSc2c(Cl)c(Cl)c(Cl)c(Cl)c2Cl)c1 1084508855 CIJJWNKUNZISMP-UHFFFAOYSA-N 472.608 6.205 50 10 JKGE Cc1c(C(=O)Nc2ccccc2C(F)(F)F)oc2c1C(=NNC(=O)c1ccccc1Cl)CCC2 1772743837 KCIANDVGFUGLPC-UHFFFAOYSA-N 489.881 5.983 50 10 JKGE CCc1nn(Cc2cc(C)ccc2C)c2c1[C@@H](c1ccc(Cl)cc1Cl)C(C#N)=C(N)O2 1865686214 SEMZDJWLVSZYTE-NRFANRHFSA-N 453.373 5.636 50 10 JKGE CCOc1ccc([C@H]2C(C#N)=C(N)Oc3c2c(CC)nn3-c2cccc(Cl)c2)cc1OCC 1865689569 STIISDGPEFKMIA-QFIPXVFZSA-N 464.953 5.104 50 10 JKGE CCOc1cccc([C@H]2C(C#N)=C(N)Oc3c2c(-c2ccccc2)nn3Cc2ccccc2Cl)c1 1865690510 TURRHVSIARYPJV-DEOSSOPVSA-N 482.971 5.869 50 10 JKGE Cc1nn(Cc2cccc(F)c2)c2c1[C@@H](c1cccc(OCc3ccccc3)c1)C(C#N)=C(N)O2 1865711531 ATZKHOGXLYRIFX-SANMLTNESA-N 466.516 5.176 50 10 JKGE CC[C@@](C)(NC(=O)[C@H](c1ccc(OC)cc1)C1CCCC1)C(=O)Nc1ccc(SC#N)cc1 1867014838 ZKEUUOOMZLQNSH-JYFHCDHNSA-N 465.619 5.466 50 10 JKGE CCC[C@@H](NC(=O)CCc1nc(-c2ccc(F)cc2)cs1)C(=O)Nc1ccc(SC#N)cc1 1867070187 NSMWEDUVPKDZPR-HXUWFJFHSA-N 482.606 5.379 50 10 JKGE COc1ccc2c(c1)CCN(c1cc(Nc3ccc(SC#N)cc3)nc(-c3ccccc3C)n1)[C@@H]2C 1868301099 KOINFDBWZCAEKQ-HXUWFJFHSA-N 493.636 6.901 50 10 JKGE CCCCCCCCCOc1ccc(/C=C(\C#N)c2ccc(C(=O)OC)o2)cc1Br 1872728763 RRTZOKNOYFZRFN-XDJHFCHBSA-N 474.395 7.022 50 10 JKGE CC(C)(C)C(=O)/C(C#N)=C/c1cc(Br)ccc1OCc1ccc(Cl)c(Cl)c1 1872728956 DIQIWFMJYNANKH-OQLLNIDSSA-N 467.190 6.857 50 10 JKGE COc1ccc(-c2csc(/C(C#N)=C(O)/C(=C/c3ccc(OC)c(OC)c3)c3ccccc3)n2)cc1 1872745829 FNQQZFULDBEZRS-KOGQMRHXSA-N 496.588 6.869 50 10 JKGE CC(C)c1ccccc1O[C@H](C)/C(O)=C(\C#N)c1nc(-c2ccc(Cl)c(Cl)c2)cs1 1872749605 ZFGXSDQBAPQCCJ-CHOFAJOMSA-N 459.398 7.500 50 10 JKGE N#C/C(=C(/O)c1cc(C(F)(F)F)cc(C(F)(F)F)c1)c1nc(-c2ccc3c(c2)OCO3)cs1 1872752755 QTOYGWLYRFFCSW-JXAWBTAJSA-N 484.377 6.526 50 10 JKGE CCOc1ccc(/C=C/C(O)=C(\C#N)c2nc(-c3cc(C)c(Cl)cc3OC)cs2)cc1OC 1872756847 DFWYYSAWJPIVOA-LGIBAPSDSA-N 482.989 6.694 50 10 JKGE N#C/C(=C\c1ccccc1OCc1ccc(Cl)cc1)c1nc(-c2ccccc2Cl)cs1 1872781208 YIAQUYMCMJWXSM-CPNJWEJPSA-N 463.389 7.760 50 10 JKGE N#C/C(=C\c1ccc(OCc2ccccc2)cc1)c1nc(-c2cccc(Br)c2)cs1 1872784529 RRIUOIBFPLRGEA-FYJGNVAPSA-N 473.395 7.216 50 10 JKGE CC[C@@H](C)[C@@H](/C(O)=C(\C#N)c1nc(-c2ccc(F)cc2F)cs1)N1C(=O)c2ccccc2C1=O 1872818050 KXBGCGPGXLIVQB-FILYSXRDSA-N 479.508 5.592 50 10 JKGE CCOc1cc(/C=N/NC(=O)[C@H]2CCCN(C(=O)OC(C)(C)C)C2)ccc1OCc1ccc(C)cc1 1873499446 WAQJLKHPIAPSSF-WWUWQWKFSA-N 495.620 5.070 50 10 JKGE Cl[C@H](c1csc(Br)c1)c1cc(Br)ccc1OCc1ccccc1 1899856742 LKJWIBPMPDKZEG-GOSISDBHSA-N 472.629 7.180 50 10 JKGE CC(C)(CCCl)C(=O)c1c(Br)sc(Br)c1Br 1900347616 AGFKBMOZEZMGTH-UHFFFAOYSA-N 453.421 5.873 50 10 JKGE COc1cc(C)c([C@H](Cl)c2ccc(I)cc2)cc1Br 1901587233 WSSPMEDVUNEJDD-OAHLLOKOSA-N 451.529 5.699 50 10 JKGE O=C(c1cc(C(F)(F)F)ccc1Br)N(Cc1ccccc1)[C@@H](CCl)C1CC1 1915176708 MRURITLTWSNXKG-SFHVURJKSA-N 460.721 6.128 50 10 JKGE Brc1ccc(CN2CC[C@]3(CCC[C@@H]3Br)C2)c(Br)c1 1918933835 JBTWXFWRHRIBJL-LSDHHAIUSA-N 452.028 5.351 50 10 JKGE C[C@H]1CN(Cc2ccccc2)C[C@@H](C)CN1c1ccc(Br)cc1CBr 1921467382 WMHGCRAZEIJWQF-SJORKVTESA-N 466.261 5.691 50 10 JKGE CN(CCN(Cc1ccccc1)C(=O)c1ccc(-c2nc(CCl)cs2)nc1)Cc1ccccc1 1922336337 HOOTTWGNRCJJEY-UHFFFAOYSA-N 491.060 5.718 50 10 JKGE O=C(c1cc(Br)cc(Br)c1)N1[C@H]2CCC[C@H]1CC(Br)C2 1922764626 KNUBXGUOHBCFIN-KBPBESRZSA-N 466.011 5.132 50 10 JKGE CC1(C)C2CCC1([C@@H](Br)c1sc(Br)cc1Br)CC2 1922892430 AHNUOOYJCAXLGN-ZAQGZADTSA-N 457.069 6.926 50 10 JKGE Cc1cc(Br)cc([C@@H](Cl)c2sc(Br)c(C)c2Br)c1 1922941225 NRSAVXZCVYMBKE-LLVKDONJSA-N 473.455 6.981 50 10 JKGE Clc1c(Br)sc(Br)c1[C@H](Cl)[C@@H]1CCc2ccccc2C1 1923065826 HUJVVIMOGUQDHT-ZYHUDNBSSA-N 455.042 7.012 50 10 JKGE CCC[C@@H](C(C)C)[C@H](Br)c1c(Br)sc(Br)c1Cl 1923066202 MUYCDLVRXOYUDP-CBAPKCEASA-N 467.492 7.435 50 10 JKGE FC(F)Oc1ccc([C@@H](Br)c2c(Cl)sc(Br)c2Cl)cc1 1925600790 SZQQJXUDYDTECZ-MRVPVSSYSA-N 466.956 6.903 50 10 JKGE Brc1ccc(I)cc1[C@H](Br)Cc1nccs1 1995155444 OUWZIYYKESQKEI-SNVBAGLBSA-N 472.971 5.189 50 10 JKGE CCc1sc(Br)cc1[C@@H](Cl)c1ccc(Br)cc1Br 2030217738 FPTFLRKCSWAPPM-ZDUSSCGKSA-N 473.455 6.926 50 10 JKGE Clc1c(Br)sc(Br)c1[C@H](Br)[C@@H]1CC12CCCCC2 2039004597 BBRIVOYYLMBWGS-IONNQARKSA-N 477.487 7.333 50 10 JKGE Clc1cccc(Cl)c1C[C@H](Br)c1ccc(I)cc1 2042853677 LTXXVERDUXLHER-LBPRGKRZSA-N 455.948 6.277 50 10 JKGE CC(C)(C)OC(=O)NCCSSCCNC1CC2(CCC(NC(=O)OC(C)(C)C)CC2)C1 2061268196 PNGVFKFYRQXFQR-UHFFFAOYSA-N 489.748 5.098 50 10 JKGE CC(C)(C)OC(=O)C1CC2(C1)CN(C(=O)OC(C)(C)C)CC[C@H]2O[Si](C)(C)C(C)(C)C 2069453772 SDIVGDHZDKKJEE-RKDDFOCISA-N 455.712 5.756 50 10 JKGE CO[C@@H]1C[C@H]([C@H](Br)c2cc(Br)c(Br)s2)C12CCC2 2070184940 PMXGQWAIIGFYKF-ONOSFVFSSA-N 459.041 5.914 50 10 JKGE COc1cc(C)c([C@H](Br)c2nscc2Br)cc1Br 2078008155 RZFNAFFBGSCJQF-NSHDSACASA-N 455.997 5.469 50 10 JKGE CCCOc1ccc(-c2csc([C@@H](C#N)C(=O)C(C#N)=Cc3ccccc3)n2)cc1OCCC 2084351762 FQYPQYZXIPKAFX-QFIPXVFZSA-N 471.582 6.171 50 10 JKGE Clc1ccc(I)c(C[C@@H]2C[C@@H]3CCCC[C@H]3[C@@H]2Br)c1 2095361132 ZOEFHBWTYASDPH-PNEXNCLXSA-N 453.589 6.077 50 10 JKGE Clc1nc(N2C[C@H]3CC[C@H]2[C@H]2CN(Cc4ccccc4)C[C@@H]32)sc1CBr 2099096257 DZTBVKUPKXKBIK-QZWWFDLISA-N 452.849 5.038 50 10 JKGE Clc1c(Br)sc(Br)c1[C@H](Br)[C@@H]1CC2(CCCC2)CO1 2109979557 KRFCDDZYKKQGIU-IONNQARKSA-N 493.486 6.712 50 10 JKGE CCCCO[C@H]1[C@@H](Oc2c(Br)cccc2Br)C[C@H]1Br 2118394854 PJWGWWLKSBUTLQ-MBNYWOFBSA-N 457.000 5.312 50 10 JKGE CC(C)C1CC(COc2c(Br)cc(Br)cc2CBr)C1 2120284316 CJORQSKCJIDMSQ-UHFFFAOYSA-N 455.028 6.168 50 10 JKGE FC1(F)CCC(CBr)(Cc2cc(Br)ccc2Br)CC1 2121105634 NGCGVAKAPLCUGI-UHFFFAOYSA-N 460.982 6.345 50 10 JKGE CO[C@@H]1CC[C@H](C(CBr)(CBr)c2cccc(Br)c2)C1 2130622445 QUTRSNDDNVCBFD-GXTWGEPZSA-N 455.028 5.292 50 10 JKGE Cc1cc([C@@H](Cl)c2c(C)c(Br)cc(C)c2Br)oc1Br 2136367480 RIKIVOZEUKEDQB-CYBMUJFWSA-N 471.414 6.821 50 10 JKGE Cc1c(Br)ccc([C@@H](Br)[C@@H]2COCCC2(F)F)c1Br 2138872086 QKOHOQQVRDQAKX-JOYOIKCWSA-N 462.954 5.628 50 10 JKGE CCn1cc([C@H](Cl)c2ccc(Br)c(C)c2Br)nc1Br 2138874182 UJAIAMQRBAKQMT-GFCCVEGCSA-N 471.418 5.827 50 10 JKGE CCC[C@@H]1CN(Cc2cc(Br)ccc2Br)C[C@H]1CBr 2140782753 CVUCVAQRDOIYMN-DGCLKSJQSA-N 454.044 5.455 50 10 JKGE Brc1csc([C@H](Br)c2ccc(-c3cccs3)s2)c1Br 2140966800 FXGOEGLKVLFGMG-GFCCVEGCSA-N 499.112 7.547 50 10 JKGE Clc1ccccc1C[C@@H](CBr)Cc1cccc(Br)c1Br 2148752643 PCBSJXRKMJFUEV-LLVKDONJSA-N 481.453 6.661 50 10 JKGE O=S(=O)(c1cc(Cl)cc(CCl)c1Cl)N(CCC(F)(F)F)Cc1ccccc1 2152210602 ALRTVPKTYMAWBU-UHFFFAOYSA-N 460.732 5.876 50 10 JKGE CC1(C)COc2c([C@@H](Cl)c3cscc3OCc3ccccc3)cc(Br)cc21 2156306680 QIYHIESFAQSFNB-HXUWFJFHSA-N 463.824 7.088 50 10 JKGE ClCCc1nc2cc(Br)c(Cl)cc2n1Cc1nccn1Cc1ccccc1 2159884222 BBPLQYOGZXQYEG-UHFFFAOYSA-N 464.194 5.527 50 10 JKGE O=C(c1scc(Br)c1Br)N1CCC[C@@]2(CBr)CCC[C@H]12 2165290395 NJFYXDCMGQCPQQ-IINYFYTJSA-N 486.067 5.443 50 10 JKGE CN(C(=O)c1ccc(I)c(Br)c1)C1(CCl)CCCCC1 2170155379 UNIDMTFXKXJIMY-UHFFFAOYSA-N 470.576 5.067 50 10 JKGE Cc1c(Br)sc([C@H](Br)c2ccc(OCCF)cc2)c1Br 2189495211 OCJWWKPGCIFBGH-GFCCVEGCSA-N 487.026 6.414 50 10 JKGE COc1cc([C@@H](Br)c2cc(Br)ccc2OC)ccc1Br 2192151601 NVVKFZBSRVEPBV-OAHLLOKOSA-N 464.979 5.713 50 10 JKGE FC(F)[C@@H]1CN(Cc2ccccc2)C[C@H]1n1c(CCl)nc2c(Br)cccc21 2193245634 QYGCCQMRFGSLQY-RHSMWYFYSA-N 454.746 5.476 50 10 JKGE C[C@]12CO[C@](CC(CBr)(CBr)c3cccc(Br)c3)(C1)C2 2194246069 CANXRKKZWYOWLS-FZNQNYSPSA-N 467.039 5.436 50 10 JKGE Cc1c(Br)ccc([C@H](Cl)Cc2ccc(Br)cc2F)c1Br 2203682814 JMLMQUAHCKRTOT-CYBMUJFWSA-N 485.416 6.944 50 10 JKGE COc1c(Br)cc(C)cc1[C@@H](Br)Cc1cccc(Br)c1 2203824701 OXSSHOMEWLXARW-AWEZNQCLSA-N 463.007 6.207 50 10 JKGE COc1cc(F)c(F)cc1[C@H](Cl)c1ccc(Br)cc1I 2207261348 KXQWQKLPCPPSJS-CQSZACIVSA-N 473.482 5.669 50 10 JKGE C[P@]1(=O)C[C@@H](Cl)[C@@H](c2sc(Br)c(Br)c2Br)C1 2212199833 GWDXOSHUSRKLIT-KULBSPAWSA-N 471.376 5.733 50 10 JKGE Fc1cc(Br)ccc1[C@@H](Br)Cc1ccc(Br)cc1Cl 2229154663 XMPHKAIUSMVOTL-LBPRGKRZSA-N 471.389 6.683 50 10 JKGE Fc1cc(Br)c(Br)cc1[C@@H](Br)c1cscc1C(F)(F)F 2233991455 CQLCIYBMZKPIBP-LLVKDONJSA-N 496.943 6.915 50 10 JKGE COc1ccccc1[C@@H](Br)c1c(Br)cc(C)c(Br)c1C 2235607552 ZPZMIXYTGGIXAD-MRXNPFEDSA-N 463.007 6.321 50 10 JKGE Cc1sc([C@@H](Br)c2ccc3c(c2Br)CCO3)c(Br)c1C 2238081370 FGWFTUAVSHMMSH-AWEZNQCLSA-N 481.047 6.309 50 10 JKGE CCc1cc([C@@H](Br)c2cc(Br)c(Cl)s2)sc1Br 2247995158 DMNASBKPGBCZNB-SECBINFHSA-N 479.484 7.035 50 10 JKGE Cc1cc(Cl)c(Cl)cc1[C@@H](Br)c1c(Br)cccc1Br 2264365334 SVWDKLFXSQCCCQ-CQSZACIVSA-N 487.844 7.311 50 10 JKGE COc1ccc([C@@H](Br)c2cccc(Br)c2)c(Br)c1Cl 2268266478 SIQCLLOFIILCJJ-LBPRGKRZSA-N 469.398 6.358 50 10 JKGE Fc1cccc(Cl)c1[C@H](Br)Cc1cc(Br)cc(Br)c1 2277960591 JRLNVEUTPVBAHU-LLVKDONJSA-N 471.389 6.683 50 10 JKGE COc1ccc([C@@H](Cl)c2cc(I)ccc2F)c(Br)c1Cl 2283560648 SNSLCYVTJCDRRS-CYBMUJFWSA-N 489.937 6.183 50 10 JKGE COc1ccc([C@@H](Br)C23CCC(C)(CC2)OC3)cc1I 2284999443 WEQXLKGASKUOKI-QQFBHYJXSA-N 451.142 5.085 50 10 JKGE COc1ccc([C@@H](Br)c2ccc3sccc3c2)cc1I 2285009577 PKRXMZRVXJRXIK-INIZCTEOSA-N 459.146 5.999 50 10 JKGE Brc1ccc(Br)c(CN2CCC3(CC[C@H](Br)C3)CC2)c1 2288058566 FGWCCFAUQHCWQO-AWEZNQCLSA-N 466.055 5.741 50 10 JKGE COc1ccc(C=C(C#N)C(=O)Nc2ccccc2C(F)(F)F)cc1Cn1nc(C)cc1C 2295650072 SJHCHGRIRKEPIM-UHFFFAOYSA-N 454.452 5.121 50 10 JKGE CCOc1cc(C=C(C#N)C(=O)Nc2sccc2C#N)c(Br)cc1OC(C)C 2295669934 OACMXPKREUFJSB-UHFFFAOYSA-N 460.353 5.114 50 10 JKGE CC1(C)COC[C@H]1[C@@H](Br)c1c(Br)sc(Br)c1Cl 2299623655 FPNGBCCRPIZXJC-CAHLUQPWSA-N 467.448 6.035 50 10 JKGE Cc1c(Br)sc([C@@H](Br)[C@@H]2CC[C@H]2C(F)(F)F)c1Br 2312191026 MRAMQVSRPSMPHR-JKMUOGBPSA-N 470.974 6.606 50 10 JKGE N#CC(=Cc1cn(-c2ccccc2)nc1-c1ccc(OCc2ccccc2)cc1)c1nc2ccccc2[nH]1 2314414600 FNNLMZJWJSGQGZ-UHFFFAOYSA-N 493.570 7.059 50 10 JKGE Fc1cccc([C@@H](Cl)c2cc(Br)ccc2OCc2ccccc2)c1Br 2314450042 VNNJFZSZTCNMIL-HXUWFJFHSA-N 484.590 7.258 50 10 JKGE CCOC(=O)c1c(NC(=O)C(C#N)=Cc2ccc(-c3ccc(C)cc3)o2)sc2c1CC[C@@H](CC)C2 2314572355 ZDHYPEVMYATBRE-GOSISDBHSA-N 488.609 6.554 50 10 JKGE CCOC(=O)c1c(NC(=O)C(C#N)=Cc2ccc(OC)cc2)sc(C)c1-c1ccc(Cl)cc1 2314753592 BWNJLWUXUVOAPK-UHFFFAOYSA-N 480.973 6.108 50 10 JKGE COc1ccccc1C=C(C#N)C(=O)N(c1cc(C)ccc1C)S(=O)(=O)c1ccc(Cl)cc1 2314777364 AZDHINYZTGLUFP-UHFFFAOYSA-N 480.973 5.295 50 10 JKGE CC(C)OC(=O)c1ccc(C(C#N)=Cc2c(OCc3ccc(F)cc3)ccc3ccccc23)o1 2331049689 GDABRVVENPMFFR-UHFFFAOYSA-N 455.485 6.780 50 10 JKGE COc1ccc(C)cc1-c1csc(C(C#N)=C(O)[C@H]2CC(=O)N([C@@H](C)c3ccccc3)C2)n1 2331323638 NEPBSPWVVLHFBJ-HKUYNNGSSA-N 459.571 5.530 50 10 JKGE CCOC(=O)Oc1ccc(C(O)=C(C#N)c2nc(-c3cc(C(C)(C)C)ccc3OC)cs2)cc1 2331349406 PXIDEZBFCGFURJ-UHFFFAOYSA-N 478.570 6.601 50 10 JKGE CCOc1ccc(-c2csc(C(C#N)=C(O)[C@H](C)Oc3ccc(Cl)cc3)n2)c(OCC)c1 2331386596 QRIMGRSCUKFBLG-HNNXBMFYSA-N 470.978 6.521 50 10 JKGE COc1cccc(-c2csc(C(C#N)=Cc3ccccc3OCc3ccccc3Cl)n2)c1 2331421522 WTWFVBXNHRDDDU-UHFFFAOYSA-N 458.970 7.115 50 10 JKGE Fc1cc(Br)c(Br)cc1[C@@H](Br)[C@@H]1CC[C@H]1C(F)(F)F 2333605397 LKJAOVVXOMFXBY-REBBBIQUSA-N 468.908 6.375 50 10 JKGE Cc1csc([C@@H](Cl)c2c(F)cc(Cl)c(Br)c2Cl)c1Br 2335290155 NWQWQBMYAOSZRT-NSHDSACASA-N 467.412 7.356 50 10 JKGE Fc1cc(F)c([C@H](Cl)c2c(Br)sc(Br)c2Br)cc1F 2336117102 UOHDJLYFZAUBOQ-VIFPVBQESA-N 499.371 6.781 50 10 JKGE CC1(C)CO[C@H]([C@@H](Br)c2c(Cl)cc(Br)c(F)c2Br)C1 2337083573 BCIDGCHVGNIDQA-WCBMZHEXSA-N 479.409 6.255 50 10 JKGE CC(C)CO[C@H]1[C@@H](Oc2cc(Br)cc(Br)c2)C[C@H]1Br 2338758007 ONRVNMSGOOPSPN-HZSPNIEDSA-N 457.000 5.167 50 10 JKGE COc1c(Br)cc(C)c([C@H](Br)[C@H]2[C@@H](C)C2(F)F)c1Br 2339656079 KHMYBTOWGUTJBL-DRTBCBBWSA-N 462.954 5.866 50 10 JKGE Cc1cc(Br)c([C@@H](Br)C23CC(C[C@H](C)O2)C3)cc1Br 2342328712 LXXJORYOPAMPIP-AYFMIFPQSA-N 453.012 5.914 50 10 JKGE CC1(C)CC12CC(CCl)(Cc1ccc(I)c(Br)c1)C2 2349839315 GQIQZZBSFHHFIS-UHFFFAOYSA-N 453.589 6.032 50 10 JKGE COc1cccc(Oc2cc(Cl)c(C)cc2I)c1CBr 2361708264 IHZXENCQCSUFAO-UHFFFAOYSA-N 467.528 5.949 50 10 JKGE Cc1cc(Br)c(F)c(Br)c1[C@H](Br)[C@H]1CCC[C@H]1C(F)F 2365197136 SVFUDHDMKHGHEI-VAOFZXAKSA-N 478.972 6.777 50 10 JKGE Cc1cc(Br)c(F)c(Br)c1[C@@H](Br)[C@@H]1CCCC12CCC2 2365225559 KVZITMZZLABWPS-GWCFXTLKSA-N 469.030 7.066 50 10 JKGE CCc1cc([C@H](Br)c2ccc(Cl)cc2I)c(F)cc1F 2365597242 DUNFFXQJSPBPGU-OAHLLOKOSA-N 471.510 6.270 50 10 JKGE CCCCO[C@H]1[C@@H](OCc2cc(I)ccc2Br)C[C@H]1Cl 2367601617 LJCGFMBVDXATFH-QLFBSQMISA-N 473.576 5.135 50 10 JKGE BrC[C@@H]1C[C@@H]2C[C@H](C1)CN(Cc1ccc(Br)cc1Br)C2 2369264788 JNPMOJDSGSEUQT-XYYAHUGASA-N 466.055 5.455 50 10 JKGE C=CCOc1c(Br)cc(C=NNC(=O)c2cc3c(ccc4ccccc43)o2)cc1OCC 8437775 FXGLDJIZTDGECC-UHFFFAOYSA-N 493.357 6.076 50 10 JKGE CC(C)=CCC/C(C)=C/C=N/NC(=O)COc1ccc(Br)cc1Br 12584010 QNOXJCUNIMKODI-NYCUXOHXSA-N 458.194 5.385 50 10 JKGE O=C(N/N=C/c1ccccc1OCc1ccccc1)c1ccn(Cc2ccc(Br)cc2)n1 20522845 BCEDWRIUAWUKNY-JVWAILMASA-N 489.373 5.037 50 10 JKGE COc1ccc(OCC(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@@H]3c2cccc3ccccc23)cc1 38657772 QOVYTGBTYOPLSE-MUUNZHRXSA-N 478.504 5.051 50 10 JKGE CCOc1ccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4oc5ccc(C)cc5c4C)ccc32)cc1 38701425 GJTABQYSBNEJGM-SANMLTNESA-N 480.520 5.886 50 10 JKGE CCCCOc1cccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)COc4ccccc4C)ccc32)c1 40530233 HZTFETFUQLIFNN-NDEPHWFRSA-N 484.552 5.377 50 10 JKGE COc1ccc2ccccc2c1/C=N/NC(=O)COc1ccc(-c2ccccc2)cc1Br 40912138 AADUPGHDTCMQMT-LQKURTRISA-N 489.369 5.807 50 10 JKGE CCCCOc1ccc(/C=N/NC(=O)CSc2nc(-c3ccccc3)cs2)cc1OCC 40924581 ODAJPHDELOCJRZ-MFKUBSTISA-N 469.632 5.630 50 10 JKGE O=C(CSc1nc(-c2ccc(Cl)cc2)cs1)N/N=C/c1cccc(Br)c1 40924675 YRMJSGSOZVCEBG-ZVBGSRNCSA-N 466.813 5.468 50 10 JKGE CC(C)(C)c1ccc(C(=O)N/N=C/c2c(OC(=O)c3ccccc3Cl)ccc3ccccc23)cc1 48573767 XSPNYUVKGAKFGA-FDAWAROLSA-N 484.983 6.774 50 10 JKGE CCn1nc(C)c(Br)c1COc1c(Br)cccc1CBr 91326321 GIDPGEVNRUTAOO-UHFFFAOYSA-N 466.999 5.210 50 10 JKGE O=C1OC(=O)[C@H]2[C@H]1[C@H]1C[C@H]2[C@@H]2[C@@H](c3cccc(Oc4ccccc4)c3)c3sc(=S)[nH]c3S[C@@H]12 101202093 UKYMDXXFOWNVFX-WWUUMWGSSA-N 493.631 5.786 50 10 JKGE COc1cc(/C=C(/C#N)C(=O)Nc2nc3ccccc3s2)ccc1OCc1ccc(C)cc1 102443940 ZDLHVWYUYAELTI-MOSHPQCFSA-N 455.539 5.738 50 10 JKGE CCOc1cc(Cl)c([C@@H](Br)c2cccc(F)c2Br)cc1Cl 164575473 PLRVQPHQPGCMER-AWEZNQCLSA-N 456.964 6.778 50 10 JKGE CCOc1cccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)/C=C\c4ccc(C(C)(C)C)cc4)ccc32)c1 205660048 KMADHVZPFXRZHT-WKAXSWFMSA-N 494.591 6.220 50 10 JKGE COc1cc(/C=C2\C(=O)N(C3CCCC3)C(=O)C(C#N)=C2C)ccc1OCc1ccc(C)cc1 214362111 PXGFQJGZGBQNRW-UCQKPKSFSA-N 456.542 5.118 50 10 JKGE CC[C@@H](C)c1ccc([C@@H](Cl)c2cc(I)ccc2Br)cc1 233866046 DBVNZRZJIBNWHL-PIGZYNQJSA-N 463.584 6.895 50 10 JKGE CCc1ccc(CC)c([C@@H](Br)c2ccc(Br)cc2Br)c1 234175736 LXYDJWVMWCUXIO-KRWDZBQOSA-N 461.035 6.821 50 10 JKGE Cc1cc([C@@H](Br)c2ccc(Br)cc2Br)c(F)cc1F 235864087 HMYBQJIXOXIUDE-AWEZNQCLSA-N 454.934 6.283 50 10 JKGE O=C(N/N=C\[C@H]1[C@]2(c3ccccc3)[C@H]3C=C[C@@H](C3)[C@]12c1ccccc1)c1ccc2ccccc2n1 244574803 CRUOPDNYDLRRIC-JHXFPOCCSA-N 455.561 5.662 50 10 JKGE O=C(NN=Cc1ccc([N+](=O)[O-])o1)c1cc(-c2ccc(Cl)cc2Cl)nc2ccccc12 252589675 AMJXLFXPJGDZMY-UHFFFAOYSA-N 455.257 5.474 50 10 JKGE CC(=NNC(=O)c1c(-c2ccccc2)noc1C)c1ccc(NC(=O)c2ccc(F)cc2)cc1 252612426 ISVASGOGDQFDRH-UHFFFAOYSA-N 456.477 5.195 50 10 JKGE CCOc1cc(C=NNC(=O)NC2CCCCC2)ccc1OCCOc1ccc([C@@H](C)CC)cc1 254441680 SARQAJXRCKPLNH-NRFANRHFSA-N 481.637 6.022 50 10 JKGE CC(C)(C)c1ccc(C=NNC(=O)CSc2nnc(SCc3ccccc3)s2)cc1 254769022 HDERBMMXMLBPOX-UHFFFAOYSA-N 456.662 5.370 50 10 JKGE C[C@@H]1CCCCN1C(=O)[C@@]12CC[C@@](C(Br)Br)([C@H]1Br)C2(C)C 256019975 PIUSTXQHXAPGON-NSLUBLRVSA-N 486.086 5.073 50 10 JKGE FC(F)(F)c1csc([C@@H](Cl)c2ccc(Cl)c(Br)c2)c1Br 312382302 NHVMVYCPMZYYQO-JTQLQIEISA-N 468.947 7.274 50 10 JKGE C[C@H](Br)C[C@H]1CCCCN1C(=O)c1ccc(Br)cc1Br 312402505 QJDVRUFFYQNBDK-CMPLNLGQSA-N 468.027 5.380 50 10 JKGE Fc1cc(Br)c([C@H](Br)c2nscc2Br)c(F)c1F 404865027 QZZHIGTURYMCGX-ZETCQYMHSA-N 465.914 5.570 50 10 JKGE CC(C)(C)OC(=O)Nc1ccccc1[C@@H]1CNc2ccccc2N1CCO[Si](C)(C)C(C)(C)C 616587063 ZNJYTNISNVFUQI-DEOSSOPVSA-N 483.729 7.029 50 10 JKGE CC(C)(C)OC(=O)NCCN1CCCC[C@H]1c1ccccc1CCO[Si](C)(C)C(C)(C)C 616609885 BZMHRFALJZTRML-QHCPKHFHSA-N 462.751 6.303 50 10 JKGE CN(C(=O)OC(C)(C)C)c1ccc([C@@H]2CN(CCO[Si](C)(C)C(C)(C)C)c3ccccc3N2)cc1 616693726 WUMBMSJMHFXKED-DEOSSOPVSA-N 497.756 7.053 50 10 JKGE C[C@H](Cl)c1nc2ccc(F)c(Br)c2n1C[C@@H]1CCCN1Cc1ccccc1 689779861 REUULYFVTDGPGQ-HOCLYGCPSA-N 450.783 5.902 50 10 JKGE CC(C)(C)N(CCCBr)C(=O)c1cc(Br)cc(Br)c1 691004706 UNNVYGROWKANQS-UHFFFAOYSA-N 456.016 5.237 50 10 JKGE COc1cccc([C@@H](Br)c2cc(Br)c(C)cc2Br)c1C 691197820 SRYNUJJBUNDDAC-MRXNPFEDSA-N 463.007 6.321 50 10 JKGE Cc1ccc(C(CBr)(CBr)Cc2ccncc2Br)cc1 702864535 DLUSFAHMDSIMKN-UHFFFAOYSA-N 462.023 5.423 50 10 JKGE CN(C[C@@H]1CCCCN1Cc1ccccc1)c1ccc(CBr)c(Br)c1 720017481 WMXYYCAXFOTDCC-FQEVSTJZSA-N 466.261 5.835 50 10 JKGE Cc1sc([C@@H](Cl)c2cc(Br)c(Br)s2)c(C)c1Br 724907982 DZBPKBCJYCHQNA-VIFPVBQESA-N 479.484 7.042 50 10 JKGE CO[C@H](C(=O)NN=Cc1c(Br)c(C)n(-c2ccc(C)cc2)c1C)c1ccccc1 725424848 HPHLSNGLWSUJHP-QFIPXVFZSA-N 454.368 5.003 50 10 JKGE COc1cc(C=NNC(=O)c2cccc(C)c2)cc(Br)c1OCc1ccccc1 725431160 BHUVFFLGHPPRCH-UHFFFAOYSA-N 453.336 5.109 50 10 JKGE COc1c(C(=O)NN=C2C(=O)N(C/C=C\c3ccccc3)c3ccccc32)ccc2ccccc12 1083892715 ZGBOOZINGVKDDJ-NAVXITLVSA-N 461.521 5.043 50 10 JKGE COc1ccc(C(=O)NN=Cc2ccc(OCc3cccc4ccccc34)c(OC)c2)cc1OC 1083973896 DCUITZVLSGNCOM-UHFFFAOYSA-N 470.525 5.209 50 10 JKGE Cc1nn(-c2ccccc2)c(N(C2CCCCC2)C2CCCCC2)c1C=NNC(=O)C(C)(C)C 1083975798 XBPCLHFQJUAMRI-UHFFFAOYSA-N 463.670 6.149 50 10 JKGE C[C@H](Sc1ccc(Cl)cc1)C(=O)NN=Cc1ccc(OCc2cccc(Cl)c2)cc1 1084346868 MWKGDZDOJQPXKX-INIZCTEOSA-N 459.398 6.203 50 10 JKGE Cc1nn(Cc2ccccc2Cl)c(C)c1C=NNC(=O)COc1ccc(C2CCCCC2)cc1 1084654729 CCZPOHHKHGACIS-UHFFFAOYSA-N 479.024 5.778 50 10 JKGE CC(C)(C)c1ccc(-n2nc(-c3cccc(I)c3)cc2CCl)cc1 1614821047 PPYFWHVOWJRSJP-UHFFFAOYSA-N 450.751 6.180 50 10 JKGE 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 1615811163 ILOHMDKQENYFEG-IPAMGZHQSA-N 484.721 6.669 50 10 JKGE biogenic CC(C)c1ccc([C@H]2C(C#N)=C(N)Oc3c2c(C(F)(F)F)nn3-c2cccc3ccccc23)cc1 1865685663 LEVBBCDINUTDQM-QFIPXVFZSA-N 474.486 6.386 50 10 JKGE CCCn1nc(-c2ccccc2)c2c1OC(N)=C(C#N)[C@H]2c1ccc(OCc2ccccc2)cc1 1865690236 MEUQWPKJNRMFIH-RUZDIDTESA-N 462.553 5.757 50 10 JKGE COc1cc([C@@H]2C(C#N)=C(N)Oc3c2c(C)nn3Cc2ccccc2)ccc1OCc1ccc(C)cc1 1865695360 NVZVUNSKSZDMEI-MUUNZHRXSA-N 492.579 5.354 50 10 JKGE CCCCOc1ccc([C@@H]2C(C#N)=C(N)Oc3c2c(C)nn3Cc2ccc(Cl)cc2)cc1OC 1865697557 WKWIXRUYKZUCJN-XMMPIXPASA-N 478.980 5.299 50 10 JKGE N#CC1=C(N)Oc2c(c(C(F)(F)F)nn2Cc2ccccc2Cl)[C@H]1c1ccc(F)cc1F 1865702210 PKLBCRWJFADYJE-INIZCTEOSA-N 466.797 5.100 50 10 JKGE COc1cc([C@@H]2C(C#N)=C(N)Oc3c2c(-c2ccccc2)nn3Cc2ccccc2)cc(Cl)c1O 1865706604 AGPNLFCLHYHVFY-JOCHJYFZSA-N 484.943 5.184 50 10 JKGE CCN(Cc1ccccc1)c1ccc([C@H]2C(C#N)=C(N)Oc3c2c(C)nn3Cc2ccccc2F)cc1 1865707471 XMINDIWSVTYIKQ-NDEPHWFRSA-N 493.586 5.624 50 10 JKGE N#CC1=C(N)Oc2c(c(C(F)(F)F)nn2-c2ccc(Cl)c(Cl)c2)[C@@H]1c1cccc(F)c1 1865710629 CVMYOSOVHDCFFD-OAHLLOKOSA-N 469.225 5.555 50 10 JKGE Cc1nc(-c2ccc(Cl)cc2)ccc1C(=O)NNC(=O)CCCOc1ccc(Cl)cc1Cl 1865755537 DKCHNJHILJPGBQ-UHFFFAOYSA-N 492.790 5.637 50 10 JKGE C[C@@H](CC(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)Nc1ccc(SC#N)cc1)c1ccc(Cl)cc1 1866711098 XFWFMMCGYDOPNL-XDHUDOTRSA-N 494.016 5.479 50 10 JKGE Cc1nc(C(C)C)c(C(=O)N[C@H](Cc2ccccc2)C(=O)Nc2ccc(SC#N)cc2)s1 1867157566 VBTQXHADFUTITF-HXUWFJFHSA-N 464.616 5.128 50 10 JKGE COCCc1nc(Nc2ccc(SC#N)cc2)cc(N2C[C@H](C)O[C@@H](c3ccc(F)cc3)C2)n1 1868253846 VZSFQTQVYHDYSA-HTAPYJJXSA-N 479.581 5.088 50 10 JKGE COCCc1nc(Nc2ccc(SC#N)cc2)cc(N2CCN(C(C)C)c3ccccc32)n1 1868253972 ZTVCOEZATGDRCB-UHFFFAOYSA-N 460.607 5.349 50 10 JKGE COc1cc(/C=C2\Oc3cc(OCc4ccc(CCl)cc4)ccc3C2=O)cc(OC)c1OC 1871438103 NEYKPMBSYLRTPH-YVNNLAQVSA-N 466.917 5.646 50 10 JKGE N#C/C(=C(/O)CCCN1C(=O)c2ccccc2C1=O)c1nc(-c2cccc(Br)c2)cs1 1872745931 KFSXMKPAMGXFJY-ZZEZOPTASA-N 494.370 5.442 50 10 JKGE N#C/C(=C(/O)c1ccccc1C(=O)c1ccccc1)c1nc(-c2ccc([N+](=O)[O-])cc2)cs1 1872746882 DEZRUYNYUFIUEL-FLFQWRMESA-N 453.479 5.899 50 10 JKGE COc1ccc(-c2csc(/C(C#N)=C(\O)CCCOc3ccc(Cl)cc3Cl)n2)c(C)c1C 1872754586 ZUFIPCRMASVWOS-UZYVYHOESA-N 489.424 7.394 50 10 JKGE COc1ccc(Cl)cc1-c1csc(/C(C#N)=C(\O)c2ccccc2C(=O)c2ccccc2)n1 1872758596 HXINDSRXXASYOB-DAFNUICNSA-N 472.953 6.653 50 10 JKGE CCc1nn(C)c([C@@H](Cl)c2c(Cl)sc(Br)c2Cl)c1Br 1877188424 QAPKIHLLZSFZBM-ZETCQYMHSA-N 467.441 6.204 50 10 JKGE C[C@@H]([C@H](Br)c1cc(Br)ccc1OCc1ccccc1)C(F)(F)F 1899854027 ZKIOASJWOKITGJ-ZBEGNZNMSA-N 452.108 6.663 50 10 JKGE COc1cc(C)c([C@@H](Cl)c2ccccc2I)cc1Br 1901586585 PGJWAFMILXFNRZ-HNNXBMFYSA-N 451.529 5.699 50 10 JKGE Cc1nsc(Br)c1[C@@H](Br)c1cc2nc(O)[nH]c2cc1Br 1912982614 OULOFTJDJHVYSK-JTQLQIEISA-N 481.995 5.043 50 10 JKGE Brc1cccc(C[C@H]2CCCCCCCC[C@H]2Br)c1Br 1913416879 RIBZBVNEDJMCLQ-UKRRQHHQSA-N 467.083 7.268 50 10 JKGE CC(C)[C@H](CBr)N(Cc1ccccc1)C(=O)Cc1ccccc1Br 1915258525 ZEEHDRTYMCNHLE-IBGZPJMESA-N 453.218 5.440 50 10 JKGE CC(C)[C@H](CBr)N(Cc1ccccc1)C(=O)c1ccc(Br)cc1Cl 1915297148 COHHXMSIAIIOMW-SFHVURJKSA-N 473.636 6.164 50 10 JKGE Cc1c(Br)sc([C@@H](Cl)c2cc(Br)n(C)n2)c1Br 1922920863 LIDPUTFSXMXTDG-QMMMGPOBSA-N 463.420 5.406 50 10 JKGE C[C@H](CC(F)(F)F)[C@H](Br)c1c(Br)sc(Br)c1Cl 1923048062 FDIBNBOJQSBKPX-WUJLRWPWSA-N 479.381 6.951 50 10 JKGE Cc1cc([C@H](Br)[C@H](C)c2ccncc2Br)sc1Br 1924033995 WVICCIBENZGNAH-PRHODGIISA-N 454.025 6.216 50 10 JKGE Cl[C@@H](c1c(Br)sc(Br)c1Br)[C@H]1CC[C@@H]2C[C@@H]2C1 1924614671 PZPUOCMOBXXHGB-JTGULSINSA-N 463.460 6.752 50 10 JKGE Fc1cc(Br)cc(F)c1[C@@H](Br)Cc1ncccc1Br 1924856748 WAIMPMLTDPCELN-VIFPVBQESA-N 455.922 5.564 50 10 JKGE Clc1ccc([C@H](Br)c2c(Cl)sc(Cl)c2Cl)c(Br)c1 1925587608 KUHATFQNLQTTSL-QMMMGPOBSA-N 469.840 7.609 50 10 JKGE FC1(F)[C@@H]2[C@@H]([C@H](Br)c3cc(Br)c(Br)s3)CC[C@H]21 1996484393 JWPWQDCHOANBOJ-HFEOUEFNSA-N 450.968 6.000 50 10 JKGE FC1(F)CC(C[C@H](Cl)c2c(Br)sc(Br)c2Br)C1 2014278117 FYSHMJFNHVPTHI-YFKPBYRVSA-N 473.402 6.751 50 10 JKGE CC(C)(CC(F)F)[C@@H](Cl)c1c(Br)sc(Br)c1Br 2015996366 CTQRIZYMJPPFNJ-ZETCQYMHSA-N 475.418 6.997 50 10 JKGE Cc1cc([C@@H](Br)c2ccc(Br)cc2I)c(C)s1 2026220058 BATDYGKYVLBZOA-ZDUSSCGKSA-N 486.010 6.216 50 10 JKGE FC(F)(F)C1CC([C@@H](Cl)c2c(Br)sc(Br)c2Br)C1 2037022209 SMAGCIDUBGGCBD-NUWLTMBBSA-N 491.392 6.904 50 10 JKGE Brc1cc([C@@H](Br)c2cc3c(s2)CCOC3)c(Br)s1 2041518355 FVVSWAQYQYMJDY-LLVKDONJSA-N 473.049 5.892 50 10 JKGE Clc1cccc(Br)c1C[C@H](Br)c1cccc(Br)c1 2050567031 KBQDCJJHFUJMPZ-ZDUSSCGKSA-N 453.399 6.544 50 10 JKGE FC(F)c1ccc([C@H](Br)c2cc(Br)c(Br)s2)cc1 2052506119 HJZFYBHOAOIAKN-JTQLQIEISA-N 460.963 6.695 50 10 JKGE C[C@H](CCCCCBr)NC(=O)c1cc(Br)sc1Br 2054160803 GOBWURFWBGXXKL-MRVPVSSYSA-N 462.045 5.347 50 10 JKGE Cl[C@@H](c1c(Br)sc(Br)c1Br)[C@H]1C[C@@H]2CC[C@H](C1)O2 2061008232 LOHKSIXKDNFZEA-QGOVLLJGSA-N 479.459 6.273 50 10 JKGE C[C@H]1O[C@@]2([C@H](Cl)c3c(Br)sc(Br)c3Br)CC[C@H]1C2 2078506815 XXICRSQVUXZTFV-SJAUJHBISA-N 479.459 6.273 50 10 JKGE Fc1cccc([C@@H](Br)c2ccc(Br)cc2Br)c1Cl 2083340966 WYDGRARXVMPZHW-LBPRGKRZSA-N 457.362 6.488 50 10 JKGE C[C@@H]1CCC[C@H]1CC(CBr)(CBr)c1ccc(Br)cc1 2093452921 HKEJIYUXADXDIS-OLZOCXBDSA-N 453.056 6.303 50 10 JKGE CN(c1cccc(Br)c1CBr)[C@H]1C[C@@H]2CC[C@H](C1)N2Cc1ccccc1 2094890702 NXFDIWOVDGKPQS-REPLKXPHSA-N 478.272 5.976 50 10 JKGE C[C@@]12CN(Cc3ccccc3)C[C@@H]1CN(c1c(CCl)ccc(Br)c1Cl)C2 2098114982 XKIROBNJFJYROB-UTKZUKDTSA-N 454.239 5.800 50 10 JKGE COC1(C[C@@H](Br)c2cc(Br)c(C)cc2Br)CCCC1 2112590343 CXHFUYNKPVBCHA-CQSZACIVSA-N 455.028 6.305 50 10 JKGE CC1(C)CC[C@@H](Cc2cccc(Br)c2Br)[C@H](Br)CC1 2122931337 VJBZAOSREUIFGV-WCQYABFASA-N 453.056 6.734 50 10 JKGE ClCC[C@H](Nc1ncc(I)cc1Br)C1CCCCC1 2133380625 WOPTXSGCLUOOAK-ZDUSSCGKSA-N 457.581 5.438 50 10 JKGE Cc1cc(Br)c(C)c([C@H](Br)[C@@H]2C[C@H]3CCC[C@@H]32)c1Br 2136369374 JJXORLDJOWEPSD-AZKPJATDSA-N 451.040 6.701 50 10 JKGE Fc1cc(Cl)cc([C@H](Br)c2ccc(Br)cc2Br)c1F 2138850087 LJLWQONYEOWXGA-GFCCVEGCSA-N 475.352 6.628 50 10 JKGE CCc1nc([C@@H](Cl)c2ccc(Br)c(C)c2Br)c(Br)s1 2138869060 XYPWZVUZWAMAMP-NSHDSACASA-N 488.470 6.630 50 10 JKGE Cc1sc(Br)cc1[C@H](Br)c1cc(Br)c2c(c1)CCCO2 2152047597 KDPBTDCLAPEJGO-CQSZACIVSA-N 481.047 6.391 50 10 JKGE FC(F)(F)c1cccc(Cl)c1[C@H](Br)c1sc(Cl)cc1Br 2154480742 XQWJCLGBVRFEMH-JTQLQIEISA-N 468.947 7.321 50 10 JKGE Cn1nc(CC(CBr)(CBr)c2ccc(Cl)cc2)cc1Br 2168211254 LMRVEPSCZDHGND-UHFFFAOYSA-N 485.445 5.106 50 10 JKGE CCc1ccc(CBr)cc1S(=O)(=O)N(Cc1ccccc1)C1CCCCC1 2179862601 YPEFQUMZVQKXSK-UHFFFAOYSA-N 450.442 5.668 50 10 JKGE Fc1ccc(N2CCN(Cc3ccccc3)C[C@H]2C(F)(F)F)c(CBr)c1Cl 2186713419 UUQIENCLIQLFET-KRWDZBQOSA-N 465.716 5.627 50 10 JKGE Cc1c([C@H](Br)c2csc3c(Br)cccc23)c(Br)nn1C 2188146706 JKIMWKBHALQEOD-GFCCVEGCSA-N 479.035 5.953 50 10 JKGE CCCNCc1cc(Br)c(OC[C@H]2C[C@H](Br)C2)c(Br)c1 2196905816 VLJNXNBPMOGWAG-HAQNSBGRSA-N 470.043 5.264 50 10 JKGE COc1cc(C)c([C@H](Br)c2ccc(Br)c(Cl)c2)cc1Br 2198737702 RXEUVJNIBNTPSG-OAHLLOKOSA-N 483.425 6.666 50 10 JKGE Cc1cc(Br)c([C@H](Br)[C@@H]2C[C@H]2C2CCOCC2)cc1Br 2200002142 RSEJTPAHSBYBHG-HWWQOWPSSA-N 467.039 6.019 50 10 JKGE COc1c(Cl)cc(Br)cc1[C@H](Br)c1cccc(Br)c1C 2203003802 OPDSIAKNBCVQIF-CQSZACIVSA-N 483.425 6.666 50 10 JKGE C[C@H](Cl)c1nc2cc(Br)c(Br)cc2n1CCOCc1ccccc1 2213519710 PGERTUHYELQJEN-LBPRGKRZSA-N 472.608 6.078 50 10 JKGE BrCc1ccc(N2[C@H]3CCC[C@@H]2CN(Cc2ccccc2)C3)c(Br)c1 2219192659 RFFSZNXXALXRLI-KDURUIRLSA-N 464.245 5.587 50 10 JKGE CC(C)CN1C[C@@H](Cl)[C@@H](c2sc(Br)c(Br)c2Br)C1 2222473371 SAVNAENECZIKAZ-JGVFFNPUSA-N 480.491 5.698 50 10 JKGE COC[C@@H]1CC[C@@H](c2sc(Br)c(Br)c2Br)C[C@H]1Cl 2222476012 WVZZVVZAZKWKSP-GJMOJQLCSA-N 481.475 6.173 50 10 JKGE Clc1cc(Br)c([C@H](Br)CC[C@H]2CCCO2)c(Cl)c1Cl 2224302755 OMRYISXMLJVJMM-HTQZYQBOSA-N 451.413 6.805 50 10 JKGE Cc1cc(Br)c([C@H](Br)c2cc(Cl)c(Cl)s2)c(C)c1Cl 2224311425 LXKXPEKDWHAFKS-LLVKDONJSA-N 463.449 7.572 50 10 JKGE COc1ccc([C@@H](Br)c2csc(I)c2)cc1C(C)C 2224902250 KQYBDZBWRSRCAV-OAHLLOKOSA-N 451.167 5.969 50 10 JKGE Cc1cc(Br)c([C@H](Br)[C@H]2C[C@@]23CC3(F)F)c(C)c1Br 2227354485 WUDMWSMQRWIVJH-BZHVJNSISA-N 458.966 6.310 50 10 JKGE Cc1ccc(C[C@@H](Br)c2cc(Br)c(Br)cc2F)cc1C 2233975284 JEIYOCRDYQXMJB-CYBMUJFWSA-N 464.998 6.646 50 10 JKGE Fc1cc(Br)c(Br)cc1[C@H](Br)[C@@H]1CC[C@@H]2[C@H](C1)C2(F)F 2233977069 SJRBWZBLZDVHOD-LJUQJJLCSA-N 476.956 6.468 50 10 JKGE Fc1cc(Br)c(Br)cc1[C@H](Br)[C@H]1CCCCCC1(F)F 2233982154 RGSMDOHSOVYQQV-RNCFNFMXSA-N 478.972 7.002 50 10 JKGE CC1(NC(=O)OCc2ccccc2)CCC([C@@H](CBr)NC(=O)OC(C)(C)C)CC1 2241898751 AYTQYNBXINCTNE-WUZYXKQASA-N 469.420 5.150 50 10 JKGE Brc1cccc([C@H](CI)O[C@H]2CCN(Cc3ccccc3)C2)c1 2244770420 YGZFMLQAQCVQNI-OALUTQOASA-N 486.191 5.216 50 10 JKGE Cc1sc(Br)c([C@H](Cl)c2c(F)cccc2I)c1C 2255900515 HHXXGNFWZCSWFQ-LBPRGKRZSA-N 459.549 6.199 50 10 JKGE Cc1cc(Br)c([C@H](Br)c2cc(F)c(Br)cc2Cl)s1 2255969417 INAPHVUNXDQVBM-LLVKDONJSA-N 477.418 6.858 50 10 JKGE Cn1ncc(Br)c1[C@H](Br)c1cc2sc(Br)cc2s1 2263559462 KQJHQOGXMJAQBL-SNVBAGLBSA-N 471.037 5.706 50 10 JKGE CCCN[C@@H](Cc1cc(Br)cc(Br)c1)C1CC(Br)C1 2277955137 HCXJJGYTNVPUGM-KWCHVYNWSA-N 454.044 5.296 50 10 JKGE Cc1sc(Br)c([C@H](Cl)c2cc3sc(Br)cc3s2)c1C 2278107592 QERYWTDXTFKNJS-GFCCVEGCSA-N 456.677 7.494 50 10 JKGE COc1ccc([C@H](Br)C[C@H](C(F)F)C(C)(C)C)cc1I 2285010221 QMWXOJWUFUCION-GHMZBOCLSA-N 461.128 6.053 50 10 JKGE N#CC(=Cc1cc(Br)c(Sc2ccc(Cl)cc2)o1)C(=O)Nc1ccc(F)cc1 2294156131 RDZPTBOPFRVOIO-UHFFFAOYSA-N 477.742 6.531 50 10 JKGE CC(C)(C)CN(CCBr)C(=O)Cc1cc(Br)cc(Br)c1 2295308353 WMWMVJRRHVUPBY-UHFFFAOYSA-N 470.043 5.024 50 10 JKGE Brc1cc(Br)cc(C[C@H](Br)c2cc3c(s2)CCSC3)c1 2295338230 UDKUVMBBPREPNT-ZDUSSCGKSA-N 497.115 6.741 50 10 JKGE COc1ccc(-c2nn(Cc3ccccc3)cc2C=C(C#N)C(=O)Nc2ccc(C)c(C)c2)cc1OC 2295672350 OXBRKCOKSMBZPG-UHFFFAOYSA-N 492.579 5.778 50 10 JKGE Cc1ccc(C[C@H]2SC(=C(C#N)C(=O)Nc3ccccc3)N(c3ccccc3C)C2=O)cc1Cl 2296507202 YDWAOIDBWICRFF-XMMPIXPASA-N 488.012 6.022 50 10 JKGE CCCCOC(=O)c1c(NC(=O)C(C#N)=Cc2ccc(-c3ccc(C)cc3)o2)sc2c1CCCC2 2296833114 CUEZSHPSQMTIFS-UHFFFAOYSA-N 488.609 6.698 50 10 JKGE Cc1c(Cl)sc(Cl)c1[C@H](Br)c1cnn(C)c1I 2299542925 OACJWSOTYJNRIE-SSDOTTSWSA-N 465.969 5.186 50 10 JKGE CCOc1ccc(C=C(C#N)C(=O)Nc2cccc(Cl)c2Cl)cc1I 2313570787 GGPCKPGBLSNRBU-UHFFFAOYSA-N 487.124 5.542 50 10 JKGE C#CCOc1cc(Br)c(C=C(C#N)C(=O)Nc2cccc(Cl)c2Cl)cc1OC 2313571250 QSCRLLPPNZWCAW-UHFFFAOYSA-N 480.145 5.322 50 10 JKGE Cc1ccc(Cl)cc1NC(=O)C(C#N)=Cc1ccc(OCc2ccc(Cl)cc2Cl)cc1 2313681233 WFCNIDNPPIGQRF-UHFFFAOYSA-N 471.771 7.080 50 10 JKGE CC1(C)CC12CC([C@H](Br)c1ccc(OCc3ccccc3)cc1Br)C2 2314445380 OUGFMMXHEXAZAW-BRFBUHTJSA-N 464.241 7.290 50 10 JKGE O=[N+]([O-])c1ccc([C@H](Br)c2ccc(OCc3ccccc3)cc2Br)o1 2314448465 HWHYGMXFVBAJBO-GOSISDBHSA-N 467.113 6.014 50 10 JKGE FC(F)C1CC(C[C@H](Br)c2cc(Br)ccc2OCc2ccccc2)C1 2314454895 JYHFNVVHBJTPAE-JMLCCBQJSA-N 474.183 7.146 50 10 JKGE CC1=C(C#N)C(=O)N(Cc2ccc(C)cc2)C(=O)C1=Cc1ccc(-c2cc(Cl)ccc2Cl)o1 2314616952 NSJQZUNQBRKLIM-UHFFFAOYSA-N 477.347 6.354 50 10 JKGE Clc1cc(I)c([C@H](Br)[C@@]23CCCC[C@H]2CCC3)s1 2316601478 SYZYLZGNWPVTMT-QCZZGDTMSA-N 459.618 6.803 50 10 JKGE N#CC(=C(O)Cc1ccc(OCc2ccccc2)cc1)c1nc(-c2ccccc2Cl)cs1 2331266159 SMKKYTDRASZRFE-UHFFFAOYSA-N 458.970 7.078 50 10 JKGE CCCOc1ccc(-c2csc(C(C#N)=C(O)c3ccc(F)c(F)c3F)n2)cc1OCCC 2331293701 RWWZYKQTQVVELG-UHFFFAOYSA-N 474.504 6.755 50 10 JKGE COC(=O)c1ccccc1N1C[C@@H](C(O)=C(C#N)c2nc(-c3cccc4ccccc34)cs2)CC1=O 2331339074 DVNBGDOLDTZAIE-SFHVURJKSA-N 495.560 5.596 50 10 JKGE COc1c(Cl)cc(Cl)cc1-c1csc(C(C#N)=C(O)C(C#N)=Cc2ccccc2)n1 2331362825 UACURRBRNYRRDK-UHFFFAOYSA-N 454.338 6.525 50 10 JKGE COc1cc(Cl)c(C)cc1-c1csc(C(C#N)=C(O)CCCOc2c(C)cccc2C)n1 2331390053 CNEDKKLCSPNUBR-UHFFFAOYSA-N 469.006 7.049 50 10 JKGE COc1c(C)cc(Cl)cc1-c1csc(C(C#N)=C(O)c2c(Cl)ccc(Cl)c2OC)n1 2331392251 JDKRWGJUSJPOOL-UHFFFAOYSA-N 481.788 7.046 50 10 JKGE COc1cc(-c2csc(C(C#N)=Cc3cc(OC)c(OC)c(OC)c3)n2)c(OC)cc1Cl 2331470967 AKFHMAUROAUUDO-UHFFFAOYSA-N 472.950 5.571 50 10 JKGE Clc1cc(I)c([C@H](Br)c2ccc3c(c2)COCC3)s1 2338566877 SLEHYNXUELGVAK-CYBMUJFWSA-N 469.569 5.563 50 10 JKGE CC(C)c1ccc([C@H](Br)c2c(Br)c(Br)nn2C)cc1 2338722179 KIYHJVYSCUIFNF-NSHDSACASA-N 451.000 5.553 50 10 JKGE Clc1c(Br)sc(Br)c1[C@H](Br)[C@H]1C[C@H]2CCC[C@H]1CC2 2338742288 UXIPSLLYVJNWJD-FTYOSLGDSA-N 491.514 7.579 50 10 JKGE BrC[C@]12CCCC[C@H]1N(Cc1sccc1I)CCC2 2338753748 ZQIOKUMQODQWKG-HUUCEWRRSA-N 454.215 5.272 50 10 JKGE Brc1cc(OCc2ccccc2)ccc1[C@H](Br)[C@H]1COC2(CCC2)CO1 2338790018 JUPLRDOUYZBVOB-UXHICEINSA-N 482.212 5.802 50 10 JKGE Cc1cc(Br)c(F)c(Br)c1[C@@H](Br)[C@H]1CC12CCCC2 2339682405 RVOPBAFODYLFCF-SKDRFNHKSA-N 455.003 6.675 50 10 JKGE CC1(C)CN(Cc2cc(I)ccc2Cl)C[C@H]1CCBr 2352416403 UUTDOMOQWZATJW-GFCCVEGCSA-N 456.593 5.188 50 10 JKGE Fc1cc(CBr)c(Oc2cc(Cl)c(Br)cc2Cl)cc1Cl 2362456310 FYKLEPABXKHHTK-UHFFFAOYSA-N 463.355 7.236 50 10 JKGE COc1c(Br)cc(C)c([C@H](Br)C(F)(F)C(F)(F)F)c1Br 2365189438 VCFMQXJDMDYSSY-VIFPVBQESA-N 490.886 6.162 50 10 JKGE CCC(CC)(CC)[C@@H](Br)c1c(C)cc(Br)c(OC)c1Br 2365215880 OJZAFXXXQORJEL-HNNXBMFYSA-N 471.071 7.181 50 10 JKGE CC(C)(C)OC(=O)N[C@@H]1CN(C[C@@](C)(CBr)C(C)(C)C)CC[C@@H]1C(F)(F)F 2380188227 YLEMQOWJNFWFNZ-PMUMKWKESA-N 459.391 5.211 50 10 JKGE CCCCN(CCCC)Cc1ccc(C(=O)NNC(=S)Nc2ccc(F)c(Cl)c2)o1 20734865 MQPCYOOUXSWTBD-UHFFFAOYSA-N 454.999 5.106 50 10 JKGE Cc1cccc(N[C@@H](C)C(=O)N/N=C/c2ccccc2OCc2cccc(Br)c2)c1 27528195 URDIVACAIISANU-CMPFEXHJSA-N 466.379 5.287 50 10 JKGE N#C/C(=C/c1ccc(OC(=O)/C=C/c2ccc(OCc3ccccc3)cc2)cc1)c1ccc(Cl)cc1 31901351 HNVVFYSPBMELCY-BRVNKVJRSA-N 491.974 7.602 50 10 JKGE COc1ccc(/C=C(/C#N)C(=O)Nc2cccc(C(=O)O)c2)cc1OCc1ccccc1Cl 33560740 UQSVROZCRRJPSU-ODLFYWEKSA-N 462.889 5.171 50 10 JKGE CCOC(=O)/C(C#N)=C\c1c(C)n(CCOc2ccc(Br)cc2)c2ccccc12 33566965 ZRXVXUHXHNQXRK-VKAVYKQESA-N 453.336 5.261 50 10 JKGE Cc1ccc(NC(=O)/C(C#N)=C2/S[C@H](Cc3ccc(F)cc3)C(=O)N2c2ccc(C)cc2)cc1 33579295 AESZYBDQFLYYDR-GUNDDFSMSA-N 471.557 5.508 50 10 JKGE CC(C)CCOc1ccc(-c2nn(-c3ccccc3)cc2/C=C(/C#N)S(=O)(=O)c2ccccc2)cc1 33681471 LTKKPLIKIHDJFM-USHMODERSA-N 497.620 6.303 50 10 JKGE CCCCCN1C(=O)/C(=N/NC(=O)c2cc(-c3ccccc3)nc3ccccc23)c2cc(C)ccc21 38180239 MIFAQSUAGNDLMB-VEWQFJOQSA-N 476.580 5.881 50 10 JKGE COc1ccccc1[C@@H]1C(C#N)=C(N)Oc2cc(OC(=O)Cc3cccc4ccccc34)ccc21 38650044 HYQPBDHJLWQOEY-NDEPHWFRSA-N 462.505 5.215 50 10 JKGE CCOc1ccccc1[C@H]1C(C#N)=C(N)Oc2cc(OC(=O)COc3ccc(C(C)C)cc3)ccc21 38650553 MLQKUCATTYGHMJ-MUUNZHRXSA-N 484.552 5.411 50 10 JKGE CCCOc1ccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4ccc(OCC)cc4)ccc32)cc1 38650641 LLLGRCGBPMRZKD-AREMUKBSSA-N 470.525 5.311 50 10 JKGE CCCCOc1ccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4ccccc4)ccc32)cc1OCC 38683977 MRIDLKGYQMCVCQ-MHZLTWQESA-N 484.552 5.702 50 10 JKGE CCCCCOc1ccccc1[C@@H]1C(C#N)=C(N)Oc2cc(OC(=O)c3cccc(OCC)c3)ccc21 38686174 CGTJWMAKMXTMLG-NDEPHWFRSA-N 498.579 6.092 50 10 JKGE Cc1c(C(=O)Nc2cc(C(F)(F)F)ccc2Cl)oc2c1/C(=N/NC(=O)c1ccccn1)CCC2 40814253 HWBUZLYQVJMTPU-FJEPWZHXSA-N 490.869 5.378 50 10 JKGE CCCCCCOc1ccc(/C=C(\C#N)C(=O)Nc2sc3c(c2C(=O)OCC)CCC3)cc1OC 40853188 MTDRHADJQCYOSH-XDJHFCHBSA-N 496.629 5.927 50 10 JKGE O=C(N/N=C/c1c(Cl)cccc1Cl)c1ccc(OCc2ccc(Cl)cc2Cl)cc1 48573757 FKUGOPACPNLBRF-KBKYJPHKSA-N 468.167 6.643 50 10 JKGE CCOc1cc(/C=N/NC(=O)c2ccc(C(C)(C)C)cc2)ccc1OC(=O)c1ccc(Cl)cc1 48573785 DHWPALLXRBMJSS-STBIYBPSSA-N 478.976 6.019 50 10 JKGE CCCOc1ccc(C(=O)Oc2ccc(/C=N/NC(=O)c3ccc(C(C)(C)C)cc3)cc2OC)cc1 48573866 FMJKDYAPFSNASH-NDZAJKAJSA-N 488.584 5.765 50 10 JKGE COc1cc(/C=N\NC(=O)c2ccccc2Cl)ccc1Oc1ccc(C(F)(F)F)cc1[N+](=O)[O-] 59462991 BPAXIGLQFGTPGY-PPDIBHTLSA-N 493.825 5.832 50 10 JKGE O=C(N/N=C/c1ccccc1Oc1ccc(C(F)(F)F)cc1[N+](=O)[O-])c1ccccc1[N+](=O)[O-] 59500337 MJIOAONGDZHXDJ-BRJLIKDPSA-N 474.351 5.078 50 10 JKGE CCOc1ccc(-c2csc(/C(C#N)=C\Nc3ccccc3I)n2)cc1 100239381 DAXMUVPCBVPZBR-QINSGFPZSA-N 473.339 5.790 50 10 JKGE CC(C)c1ccc(N2C(=O)[C@@H](Cc3ccc(F)cc3)S/C2=C(/C#N)C(=O)NCc2ccco2)cc1 101242172 BMJQLSSXMJIEKS-NLTRVXJZSA-N 489.572 5.285 50 10 JKGE Cl[C@@H](c1csc(I)c1)c1cc(Br)ccc1Br 118883918 MXQYRMSHMDAVCK-NSHDSACASA-N 492.401 6.206 50 10 JKGE Clc1cc([C@H](Cl)c2csc(I)c2)sc1Br 127445948 CKNORCDRWFKREG-MRVPVSSYSA-N 453.979 6.158 50 10 JKGE Cc1cc(Br)c([C@@H](Cl)Cc2ccc(Cl)c(Cl)c2)cc1Br 128628250 OVPYVFYTBJNRLP-AWEZNQCLSA-N 457.420 7.349 50 10 JKGE Brc1ccc([C@H](Br)c2cc(Br)c(Br)s2)s1 130937465 RNAUHBGJHNJAAF-QMMMGPOBSA-N 495.881 6.581 50 10 JKGE COc1ccc([C@H](Br)c2c(F)cccc2Br)cc1Br 161189177 AARUFBBZLVXZLO-AWEZNQCLSA-N 452.943 5.844 50 10 JKGE CCOc1cc(Cl)c([C@@H](Br)Cc2ccc(Br)cc2)cc1Cl 164567255 RVYLVGYONXGYNU-ZDUSSCGKSA-N 453.001 6.833 50 10 JKGE Cc1ccc2[nH]c(C3CCN(C(=O)N[C@H]4CC(C)(C)C[C@](C)(CN=C=O)C4)CC3)c(C)c2c1 170290685 QSKHYLHBZAODPF-KDYSTLNUSA-N 450.627 5.595 50 10 JKGE COc1ccc([C@@H](C)N/C=C(/C#N)C(=O)Nc2ccc(Cl)c(C(F)(F)F)c2)cc1OC 217249377 QWCAQWXZEQPKMU-POKNLVKOSA-N 453.848 5.073 50 10 JKGE O=[N+]([O-])c1cccc(Oc2cc(Br)ccc2CBr)c1Br 218379876 QHDMZZDOLBRGSO-UHFFFAOYSA-N 465.923 5.807 50 10 JKGE CCCOc1ccc([C@@H](Br)c2cccc(Br)c2Cl)cc1Br 229007996 LROVEMPAMHULFD-OAHLLOKOSA-N 497.452 7.138 50 10 JKGE Brc1ccc(Br)c([C@@H](Br)c2ccoc2Br)c1 232483500 ZZDOQUZPOBXNOF-JTQLQIEISA-N 473.784 6.051 50 10 JKGE Fc1ccc([C@@H](Br)c2ccc(Cl)c(Br)c2)cc1Br 236178498 DGRWKJCNCZVPTI-ZDUSSCGKSA-N 457.362 6.488 50 10 JKGE CCc1ccc(C=NNC(=O)c2ccccc2NC(=O)c2ccccc2Br)cc1 252611382 IJPWXXSDTQPXQW-UHFFFAOYSA-N 450.336 5.028 50 10 JKGE CC1(C)[C@H]2CC[C@@]1(C)[C@H](O[C@H](CI)c1ccc(Br)cc1)C2 253135898 RROHUFOZLOBPQH-ZDRJDWQYSA-N 463.197 6.157 50 10 JKGE O=C(NN=Cc1c[nH]c2ccc(Br)cc12)c1ccn(Cc2ccc(Cl)cc2Cl)n1 254740311 OXXUSKGGXZKEPO-UHFFFAOYSA-N 491.176 5.246 50 10 JKGE aggregator CCCCCCCCCCCCCC(=O)NCC(=O)NN=Cc1cc2ccccc2nc1O 254744412 XCLLBMMEMSHVRH-UHFFFAOYSA-N 454.615 5.208 50 10 JKGE O=C(COc1c(Cl)c(Cl)c(Cl)c(Cl)c1Cl)NN=Cc1ccc(Br)o1 256017797 BWHGFTPPKKELMN-UHFFFAOYSA-N 495.371 5.838 50 10 JKGE Cc1cc(C)c([C@H](Br)Cc2cccc(Br)c2)c(C)c1Br 312536015 HSUBBVATQRASMW-OAHLLOKOSA-N 461.035 6.816 50 10 JKGE Cc1cc(Br)ccc1[C@@H]1CN(C(=O)OCc2ccccc2)C[C@H]1CBr 382694303 JXEGCMHXJNANOS-VQIMIIECSA-N 467.201 5.505 50 10 JKGE O=C1Cc2cc([C@H](Br)c3cc(Cl)sc3Cl)c(Br)cc2N1 383456431 BXIOYXVNXBZQBO-LBPRGKRZSA-N 455.986 5.796 50 10 JKGE C[C@@H](Cl)c1nc2cc(I)ccc2n1C[C@@]1(C)CCCN1Cc1ccccc1 398080694 RRQPYUGFINNWOS-OPAMFIHVSA-N 493.820 5.995 50 10 JKGE CC(C)(C)OC(=O)NCCN1CCCOC[C@H]1c1ccc(CO[Si](C)(C)C(C)(C)C)cc1 616647333 FIKWEQWIKYYZNR-QFIPXVFZSA-N 464.723 5.497 50 10 JKGE CC(C)(C)OC(=O)N1c2ccccc2NC[C@@H]1c1cccc(CCO[Si](C)(C)C(C)(C)C)c1 616691882 RPXNNAWHDNUZGU-XMMPIXPASA-N 468.714 7.159 50 10 JKGE Fc1ccc([C@H](Cl)c2cc(I)ccc2Br)c(F)c1Cl 689690722 NKLHOANGRVXQIE-NSHDSACASA-N 477.901 6.314 50 10 JKGE C[C@H](CBr)[C@H]1CCCCN1C(=O)c1cc(Br)c(Br)s1 699961711 STGBIPRWDSJCLL-PSASIEDQSA-N 474.056 5.299 50 10 JKGE Clc1ccc([C@H](Cl)c2scc(Br)c2Br)c2ccccc12 705448517 QVYVOJSBJTUPNZ-AWEZNQCLSA-N 451.010 7.408 50 10 JKGE Clc1ccc(I)c([C@H](Br)c2ccc(C3CC3)s2)c1 707925408 OVMJQWOZBXUTHG-AWEZNQCLSA-N 453.570 6.368 50 10 JKGE Cc1cc([C@@H](Br)c2ccc(C)c(Br)c2C)sc1Br 719585246 UYOXUCWYSKOUDW-ZDUSSCGKSA-N 453.037 6.683 50 10 JKGE C[C@H]1Cc2cc(Br)cc([C@H](Cl)c3ccc(I)cc3)c2O1 720124606 NCSMUMFMZWHNAV-BJOHPYRUSA-N 463.540 5.705 50 10 JKGE Cc1sc([C@H](Br)c2ccc(Cl)cc2Br)c(C)c1Br 724910422 TXUZPHIKOXOTCM-GFCCVEGCSA-N 473.455 7.028 50 10 JKGE Cc1sc([C@H](Br)c2cccc(OCc3ccccc3)c2)c(C)c1Br 724928371 LWLABSYUGJDQPX-LJQANCHMSA-N 466.238 7.191 50 10 JKGE Cc1cc(Br)cc(Br)c1OCC(=O)NN=Cc1ccc(Cl)cc1Cl 1084158636 LYXBDOWIYNSBLM-UHFFFAOYSA-N 494.998 5.356 50 10 JKGE CC(C)(C)c1ccc(C(=O)NN=Cc2ccc(OCc3ccc(Br)cc3)cc2)cc1 1084498109 XBLMPNNDVIOSSI-UHFFFAOYSA-N 465.391 6.090 50 10 JKGE Cc1c(C(=O)Nc2ccc(N=Nc3ccccc3)cc2)oc2c1C(=NNC(N)=O)CC(C)(C)C2 1772729298 ONIUUQKROIAWAO-UHFFFAOYSA-N 458.522 5.601 50 10 JKGE CCN(C(=O)c1oc2c(c1C)C(=NNC(=O)c1ccccc1Cl)CCC2)c1cccc(C)c1 1772743860 KLQCGMMLZPZCPD-UHFFFAOYSA-N 463.965 5.687 50 10 JKGE Cc1cccc(C(=O)NN=C2CCCc3oc(C(=O)Nc4cccc5ccccc45)c(C)c32)c1 1772744420 DFTZBMOMSPVAPO-UHFFFAOYSA-N 451.526 5.772 50 10 JKGE CCOC(=O)c1ccccc1NC(=O)c1oc2c(c1C)C(=NNC(=O)c1ccc(Cl)cc1)CCC2 1772744505 YONSVIWDPBPPRT-UHFFFAOYSA-N 493.947 5.141 50 10 JKGE CCCCCOc1ccc([C@H]2C(C#N)=C(N)Oc3c2c(CC)nn3-c2ccccn2)cc1OCC 1865691524 UVCOYZOHUXBZMR-DEOSSOPVSA-N 473.577 5.016 50 10 JKGE CCCc1nn(-c2ccc(C)cc2)c2c1[C@@H](c1ccc(OC(C)C)c(OC)c1)C(C#N)=C(N)O2 1865696954 LZCIYWDLOBHKFU-DEOSSOPVSA-N 458.562 5.147 50 10 JKGE CCc1nn(CC(C)C)c2c1[C@H](c1ccccc1OCc1ccccc1Cl)C(C#N)=C(N)O2 1865703002 KMAAZCWAGIKPRD-HSZRJFAPSA-N 462.981 5.552 50 10 JKGE CCc1nn(-c2ccccn2)c2c1[C@H](c1ccc(N(CC)Cc3ccccc3)cc1)C(C#N)=C(N)O2 1865707468 XMHSZVHJWFQFKS-AREMUKBSSA-N 476.584 5.074 50 10 JKGE CCCc1nn(-c2ccc(Cl)c(Cl)c2)c2c1[C@H](c1ccc([N+](=O)[O-])cc1)C(C#N)=C(N)O2 1865712779 HOFOMAQRFUEBDR-LJQANCHMSA-N 470.316 5.258 50 10 JKGE COCCOc1ccc(/C=C(\C#N)C(=O)Nc2ccc(-c3nc4ccc(C)cc4s3)cc2)cc1 1866213985 MOPAZJWNKGQKOH-LTGZKZEYSA-N 469.566 5.843 50 10 JKGE CN1CCN(c2cc(Nc3ccc(SC#N)cc3)nc(-c3ccc(F)cc3)n2)C[C@H]1c1ccccc1 1868457030 XLXDYUSZKBSPJR-VWLOTQADSA-N 496.615 6.093 50 10 JKGE CCn1cc(/C=C2\Oc3cc(OCc4ccc(CCl)cc4)cc(C)c3C2=O)c2ccccc21 1871436718 MQBFDPSPDXWZSI-ZMFRSBBQSA-N 457.957 6.904 50 10 JKGE COC(=O)c1ccc2c(O)nc(/C(C#N)=C/c3c(OCc4ccccc4)ccc4ccccc34)nc2c1 1872728463 CXBFACIUZVPUMZ-PXLXIMEGSA-N 487.515 5.918 50 10 JKGE C[C@H](Oc1ccc(Cl)cc1)/C(O)=C(\C#N)c1nc(-c2cccc(Br)c2)cs1 1872745996 MTLJSQNBCDMPSZ-LCIOQVQZSA-N 461.768 6.486 50 10 JKGE CC(C)[C@@H](/C(O)=C(\C#N)c1nc(-c2ccc(F)cc2F)cs1)N1C(=O)c2ccccc2C1=O 1872818057 LBFLBAYPVWNDKA-HOJYTFPLSA-N 465.481 5.202 50 10 JKGE CCc1nn(C)c(C[C@H](Br)c2cccc(Br)c2)c1Br 1877158858 DJIUNYARAHQCAB-NSHDSACASA-N 451.000 5.186 50 10 JKGE C[C@@H]1OCC[C@@H]1CCOc1c(Br)cc(CBr)cc1Br 1885698097 ZAIXZBZIEWZJDD-GXSJLCMTSA-N 457.000 5.300 50 10 JKGE Cl[C@H](c1coc(Br)c1)c1cc(Br)ccc1OCc1ccccc1 1899891204 FFANMPDEYWYJMV-GOSISDBHSA-N 456.561 6.712 50 10 JKGE O=S(=O)(c1cc(Cl)ccc1Cl)N(Cc1ccccc1)[C@H](CBr)C1CC1 1915170583 SUIBASKYFWYCSP-QGZVFWFLSA-N 463.224 5.358 50 10 JKGE O=S(=O)(c1ccc(N(Cc2ccccc2)[C@H](CBr)C2CC2)cc1)C(F)(F)F 1915187645 DGWRPSQQUSHNLN-GOSISDBHSA-N 462.331 5.160 50 10 JKGE CC(C)(CBr)N(Cc1ccccc1)C(=O)c1ccc(Cl)c(Br)c1 1915754189 SKKIHYIDEPZEPW-UHFFFAOYSA-N 459.609 5.918 50 10 JKGE O=C(c1csc(Br)c1Br)N(Cc1ccccc1)C1(CCl)CCC1 1915755477 OIVAOUOGPXNNNJ-UHFFFAOYSA-N 477.649 6.077 50 10 JKGE CN(Cc1ccc(Br)cc1Cl)C[C@H](Br)COCc1ccccc1 1916364585 NGFDPJUIFWRAIS-KRWDZBQOSA-N 461.625 5.515 50 10 JKGE COc1cc(C)c(Br)cc1[C@@H](Br)c1cc(C)c(Br)o1 1917604782 BYIGSUZIFYHBPA-CYBMUJFWSA-N 452.968 5.914 50 10 JKGE Brc1cc(Br)c([C@H](Br)[C@@H]2CCCc3ccccc32)s1 1922954882 TVFRSJBDPMUFCZ-BXUZGUMPSA-N 465.048 6.829 50 10 JKGE C[C@H](c1ccncc1Br)[C@H](Br)c1c(F)cc(Br)cc1F 1924040102 MRGQDNPEOJYAEA-UOWDBTKRSA-N 469.949 6.125 50 10 JKGE Clc1sc(Br)c(Cl)c1[C@@H](Br)c1ccc(Br)s1 1925569378 SQEMEOWOMSEGBZ-LURJTMIESA-N 485.875 7.126 50 10 JKGE Fc1cc(Br)ccc1[C@H](Br)c1c(Cl)sc(Br)c1Cl 1925586412 YWCXWMVJPSYVTR-QMMMGPOBSA-N 497.836 7.203 50 10 JKGE Brc1sc(Br)c([C@H](Br)[C@@]23CC[C@@H]2C3)c1Br 1935461453 CKPWBIMOBGDRJW-TZQSSRQDSA-N 479.857 6.272 50 10 JKGE CCCC(=O)[C@H](Br)Cc1cc(Br)c(Br)c(Br)c1 1946434210 GZSIKMUUTQVUSE-MRVPVSSYSA-N 491.843 5.649 50 10 JKGE CN(C[C@H](Br)COCc1ccccc1)C(=O)c1cc(Br)c(Cl)s1 1981401423 JLMRVAAQRYNVFA-LBPRGKRZSA-N 481.637 5.216 50 10 JKGE COc1cscc1[C@@H](Br)c1cc(Br)c(C)cc1Br 2038687532 BMAMQDOFJXKNFR-ZDUSSCGKSA-N 455.009 6.074 50 10 JKGE ClCCc1nc2cc(I)ccc2n1[C@@H]1CC[C@H]1OCc1ccccc1 2038730918 YCKGLWRTVFXXPK-RTBURBONSA-N 466.750 5.343 50 10 JKGE O=C(Cc1ccc(O)c(Br)c1)N(Cc1ccccc1)C1(CBr)CCC1 2050363402 ZWOGUCSRXXLIBP-UHFFFAOYSA-N 467.201 5.044 50 10 JKGE Cl[C@H](c1c(Br)sc(Br)c1Br)C1CC(C2CCC2)C1 2056677231 JPENGJBYHINJJM-AYVLWNQUSA-N 477.487 7.142 50 10 JKGE O=S(=O)(c1cc(CBr)ccc1Br)N(Cc1ccccc1)C1CCCC1 2059314724 PDNRRKWWTBPJIK-UHFFFAOYSA-N 487.257 5.478 50 10 JKGE O=C(c1csc(Br)c1Br)N1CCC[C@H](CCBr)CC1 2093941948 GVSGCWMXGGVVEN-SECBINFHSA-N 474.056 5.300 50 10 JKGE C[C@@H](Br)c1ccccc1NC(=O)c1csc(Br)c1Br 2093944428 KDYAHJDQTKRSEC-SSDOTTSWSA-N 468.008 5.981 50 10 JKGE Brc1cccc(Br)c1CN1C[C@@H]2CC[C@@H](Br)C[C@H]2C1 2094088220 IQVYVDMHBHYDFF-SDDRHHMPSA-N 452.028 5.207 50 10 JKGE CCCOc1ccc([C@@H](Br)c2cscc2OCc2ccccc2)cc1Br 2100091080 GMQPUFZAOLWQED-OAQYLSRUSA-N 496.264 7.363 50 10 JKGE O=C(c1scc(Br)c1Br)N1[C@H](CBr)C[C@@H]2CCC[C@@H]21 2108395218 VUVZSVQSEDGNAW-NRPADANISA-N 472.040 5.051 50 10 JKGE Cc1cc(Br)c([C@H](Br)C[C@@H]2CCC23CCC3)cc1Br 2110459121 RZOIFZRNWZWCDU-XHDPSFHLSA-N 451.040 6.926 50 10 JKGE BrCc1cc(Br)cc(Br)c1O[C@@H]1[C@H]2CCCCC[C@H]21 2111897447 FDKKGWOWUNLDNM-JYAVWHMHSA-N 453.012 6.064 50 10 JKGE Clc1cccc([C@H](Br)CCc2cccc(Br)c2Br)c1 2113491538 PRXOCTPGWYRDSA-CYBMUJFWSA-N 467.426 6.934 50 10 JKGE CC(C)(C)C1CC(CBr)(Cc2cc(Br)ccc2Br)C1 2118530550 YJJWUFDQQYKIBL-UHFFFAOYSA-N 453.056 6.592 50 10 JKGE FC(F)(F)c1ccc(C[C@@H](Br)c2cc(I)sn2)cc1 2120031146 GOTZNRWDXKXEOM-SECBINFHSA-N 462.072 5.445 50 10 JKGE Fc1cc(Br)c([C@H](Cl)c2cccc(OCc3ccccc3)c2)c(F)c1Cl 2136956956 UJUPFULPDIAIFL-GOSISDBHSA-N 458.129 7.288 50 10 JKGE Fc1cc(F)c([C@H](Br)c2ccc(Br)cc2Br)cc1Cl 2138869658 BVXITNUDNPMLDT-CYBMUJFWSA-N 475.352 6.628 50 10 JKGE C[C@H]1CN(C(=O)c2c(Br)cccc2Br)CC[C@@H]1CCBr 2172469847 ZFDAKIJBMWYLOY-QWRGUYRKSA-N 468.027 5.095 50 10 JKGE O=S(=O)(c1c(CBr)sc2ccccc12)N(Cc1ccccc1)CC(F)(F)F 2179825028 BXIWBAMIFNRPJX-UHFFFAOYSA-N 478.355 5.549 50 10 JKGE Brc1cc(CNC2CC2)cc(Br)c1OCC1CC(Br)C1 2196906371 CVGSADJOWTZTGE-UHFFFAOYSA-N 468.027 5.016 50 10 JKGE Cc1cc(Br)c(C)c([C@H](Br)[C@]23COC[C@@H]2C3(F)F)c1Br 2201074267 ANHFWMQAHHWWLY-XDTLVQLUSA-N 474.965 5.546 50 10 JKGE FC(F)(F)[C@H]1OC2([C@H](Br)c3ccc(Br)cc3Br)CC1C2 2203702748 IAWUBDNBDQZKJK-SNBGMRMPSA-N 478.928 5.758 50 10 JKGE CCc1nc([C@@H](Br)c2cc(Br)cc(C)c2OC)c(Br)s1 2206586054 HJPNQBYVCLBYLX-NSHDSACASA-N 484.051 6.032 50 10 JKGE Cc1nc([C@H](Br)c2sc(Br)c(C)c2C)c(Br)s1 2213623506 CIGGJQCWOYITGA-ZETCQYMHSA-N 460.054 6.139 50 10 JKGE COc1cc(F)cc([C@H](Br)c2cc(Br)c(Br)s2)c1 2218940356 YLSRPHJUABHFRA-NSHDSACASA-N 458.972 5.905 50 10 JKGE CC(C)[C@H](CBr)N(Cc1ccccc1)S(=O)(=O)Cc1ccccc1Br 2218982765 DFUHVJFDXVYMHH-IBGZPJMESA-N 489.273 5.201 50 10 JKGE Clc1cc(Br)c([C@H](Br)C2COCCOC2)c(Cl)c1Cl 2224316252 BSERKJGEPKZKSU-SNVBAGLBSA-N 453.385 5.508 50 10 JKGE Fc1ccc([C@@H](Cl)c2cc(Br)c(Br)cc2F)cc1Br 2225634767 QZJNVQLSJREGDX-CYBMUJFWSA-N 475.352 6.581 50 10 JKGE Cc1cc(Br)c([C@H](Br)[C@H](C)C2CCCC2)c(C)c1Br 2227348169 MCGCVFMUZJUHBE-QLJPJBMISA-N 453.056 7.091 50 10 JKGE FC(F)(F)COCC[C@H](Br)c1c(Br)cc(Cl)c(Cl)c1Cl 2232510494 HCQKETBTTWUMTD-YFKPBYRVSA-N 479.345 6.814 50 10 JKGE CC(C)(C)OC1CC(C[C@@H](Br)c2cc(Br)ccc2Br)C1 2232948905 DDDUXOLHFVZZFG-MBRGGSNBSA-N 469.055 6.631 50 10 JKGE C[C@H](Cl)c1nc2cc(Cl)c(Cl)cc2n1C[C@H]1CC1(Br)Br 2233042911 ZFGAWFBRXZTJFT-NKWVEPMBSA-N 461.412 6.149 50 10 JKGE Cc1cc(Br)c([C@H](Br)[C@@H]2C[C@@H]3C[C@@H]3C[C@@H]2C)c(C)c1Br 2235615318 QFBINHOKLZFQTR-DYUNXWRASA-N 465.067 6.947 50 10 JKGE COc1cc(Br)c([C@@H](Cl)c2ccc(F)cc2I)cc1C 2236009019 KJFUGCUBJJZFEC-HNNXBMFYSA-N 469.519 5.838 50 10 JKGE Clc1ccc(CO[C@H](CI)c2ccc(Br)cc2)c(Cl)c1 2239707518 BOECBLDKIWIJGX-OAHLLOKOSA-N 485.974 6.449 50 10 JKGE CCn1cc([C@H](Br)c2sc(C)c(C)c2Br)nc1Br 2253504290 KGFDWLLDMBXHHF-JTQLQIEISA-N 457.029 5.591 50 10 JKGE CC(C)c1cc(Br)cc(C(=O)N(Cc2ccccc2)[C@H](CBr)C2CC2)c1 2265981896 AQTDLBVQXXMFQL-OAQYLSRUSA-N 479.256 6.388 50 10 JKGE C[C@@]12CC[C@@]([C@H](Br)Cc3cc(Br)cc(Br)c3)(CO1)C2 2277946289 BXGJVQCWUYGOLJ-ILXRZTDVSA-N 453.012 5.477 50 10 JKGE Cc1cc(Br)c([C@H](Br)c2c(C)cccc2Br)c(C)c1F 2279143904 IIOBUOKEWANGTC-OAHLLOKOSA-N 464.998 6.760 50 10 JKGE COc1cc(C)c([C@@H](Cl)c2c(F)cccc2I)cc1Br 2282787377 POWGTWBIXUFYBA-OAHLLOKOSA-N 469.519 5.838 50 10 JKGE Cc1cc(Br)c([C@@H](Br)[C@@H]2COC3(CCC3)C2)c(C)c1Br 2284848892 XZCBXEVTLMMBDX-NHYWBVRUSA-N 467.039 6.224 50 10 JKGE Fc1cc(Br)c(F)c(Br)c1[C@@H](Br)[C@H]1COCCC1(F)F 2288353474 JNMAYQLKTFUOGB-ANLVUFKYSA-N 484.907 5.598 50 10 JKGE CCOc1cc(C=C(C#N)C(=O)NC2CCCCC2)ccc1OCc1ccc(Br)cc1 2294581331 HQANSTLWCFBKCZ-UHFFFAOYSA-N 483.406 5.783 50 10 JKGE FC1(F)CC[C@]2(C1)[C@H](Br)C[C@H]2Oc1c(Br)cccc1Br 2295113581 BXLPMJCNUGNMOU-WZRBSPASSA-N 474.965 5.932 50 10 JKGE COc1ccc(C=C(C#N)C(=O)Nc2ncc(Cc3cc(Cl)ccc3Cl)s2)cc1OC 2297306813 KNBVKXGGWJYNTO-UHFFFAOYSA-N 474.369 5.604 50 10 JKGE COc1cc(C=C(C#N)C(=O)Nc2nc3ccccc3s2)ccc1OCCOc1c(C)cccc1C 2297499984 BYLGEALGIXSNHX-UHFFFAOYSA-N 499.592 5.925 50 10 JKGE COc1ccccc1OCCn1cc(C=C(C#N)C(=O)NCc2cccs2)c2ccccc21 2297551830 LOSWZPVVHSHANR-UHFFFAOYSA-N 457.555 5.014 50 10 JKGE N#CC(=Cc1cn(Cc2ccc3ccccc3c2)c2ccccc12)C(=O)N1CCN(c2ccccc2)CC1 2313568750 YFPGRCFHCHXIIS-UHFFFAOYSA-N 496.614 6.099 50 10 JKGE COc1ccc(CNC(=O)C(C#N)=Cc2cc(Br)ccc2OCc2ccccc2F)cc1 2313670498 AYBNJPICVISQCE-UHFFFAOYSA-N 495.348 5.399 50 10 JKGE CCOC(=O)c1ccc(-c2ccc(C=C(C#N)c3nc(-c4ccccc4)c(NC(C)=O)s3)o2)cc1 2314433040 JCKNTLUTSVMLMU-UHFFFAOYSA-N 483.549 6.269 50 10 JKGE CCc1ccc(N2C(=O)[C@@H](Cc3ccc(C)cc3)SC2=C(C#N)C(=O)Nc2ccccc2OC)cc1 2314591799 FEKGEPRJXZAHMZ-AREMUKBSSA-N 497.620 5.631 50 10 JKGE CCCCCCOc1ccc(C=C(C#N)C(=O)Nc2ccc(C(=O)OCCCCC)cc2)cc1OC 2314728653 IVYTYDPDEDQBAJ-UHFFFAOYSA-N 492.616 6.547 50 10 JKGE Clc1ccccc1C[C@H](CBr)Cc1sccc1I 2316737452 XTWHACHSSADUTA-JTQLQIEISA-N 455.586 5.802 50 10 JKGE N#CC(=Cc1ccc(OC(=O)CCCOc2ccc(Cl)cc2Cl)cc1)c1ccccc1 2320507212 FANDGLWYHDUJGH-UHFFFAOYSA-N 452.337 6.822 50 10 JKGE CCCCOC(=O)c1ccccc1NC(=O)C(C#N)=CN(Cc1ccccc1)c1ccccc1 2325309658 JJSKQPZISFTQGN-UHFFFAOYSA-N 453.542 5.696 50 10 JKGE CCOc1ccc(-c2csc(C(C#N)=C(O)C=Cc3cccc(Cl)c3)n2)c(OCC)c1 2331386669 XYPQHLIJXUQABQ-UHFFFAOYSA-N 452.963 6.767 50 10 JKGE CCc1ccc(-c2csc(C(C#N)=Cc3ccc(OCCc4ccccc4)c(OC)c3)n2)cc1 2331417631 FUMKQKBPIUYVPE-UHFFFAOYSA-N 466.606 7.067 50 10 JKGE Cc1ccc(-c2csc(C(C#N)=Cc3ccc(OCc4ccc(Cl)cc4)cc3)n2)cc1C 2331472571 FSHUHHFUEXNMRE-UHFFFAOYSA-N 456.998 7.724 50 10 JKGE COc1ccc(-c2csc(C(C#N)=Cc3ccc(OCc4ccccc4)cc3)n2)c(OC)c1OC 2331491630 XGAJIEWXETZZRC-UHFFFAOYSA-N 484.577 6.479 50 10 JKGE Brc1cc(Br)cc(C[C@@H](Br)[C@@H]2CC[C@H]3C[C@@H]2CO3)c1 2335066511 LOEKTMMKDQRQTK-AQNFWKISSA-N 453.012 5.333 50 10 JKGE FC(F)(F)[C@@H]1CCO[C@@H]1[C@@H](Br)c1cc(Br)ccc1OCc1ccccc1 2336076368 YCWNRWDQSKGAOP-NJAFHUGGSA-N 494.145 6.432 50 10 JKGE Fc1c(Br)cc(Cl)c([C@H](Br)C[C@@H]2CC[C@H]3C[C@@H]23)c1Br 2337081625 ABDMEUPXMVVBSR-RBXMUDONSA-N 475.421 6.876 50 10 JKGE C[C@]12C[C@]([C@@H](Br)c3c(Cl)cc(Br)c(F)c3Br)(CO1)C2 2337106083 DXTDNSGSMAUEMB-AVGNSLFASA-N 477.393 6.009 50 10 JKGE COc1ccc(C[C@H](Br)c2sc(Br)cc2C)c(Br)c1 2338888574 FGWZKEJDIICPOD-LBPRGKRZSA-N 469.036 6.269 50 10 JKGE Cc1cc(Br)c(F)c(Br)c1[C@H](Br)c1cccc(F)c1 2339646892 WBBUMOFVOUYANB-GFCCVEGCSA-N 454.934 6.283 50 10 JKGE Brc1cc(Br)cc(C[C@H](Br)C[C@@H]2CC[C@@H]2C2CC2)c1 2342329164 FMOOVYGPBMZTEJ-HEHGZKQESA-N 451.040 6.344 50 10 JKGE Cc1scc([C@H](Cl)c2cc(I)cc3c2OCC3)c1Br 2343555052 RNHQPBXIMUWWOF-CYBMUJFWSA-N 469.569 5.687 50 10 JKGE C[C@@H](c1ccncc1F)[C@H](Br)c1cc(Br)ccc1Br 2344688534 DEYLYCVHOOQWSH-RTHLEPHNSA-N 451.959 5.985 50 10 JKGE Cc1ccccc1[C@H](CBr)Cc1ccc(I)c(Br)c1 2349841250 IDASJUXZVNPTNV-ZDUSSCGKSA-N 494.008 6.083 50 10 JKGE O=C(c1cc(Br)sc1Br)N1CC[C@H](Cl)C[C@H]1C(F)(F)F 2361444899 TWFMRGHTKUXAKB-FSPLSTOPSA-N 455.521 5.047 50 10 JKGE C[C@H](C1CCCCC1)[C@H](Br)c1c(Cl)cc(Br)c(F)c1Br 2362222129 ALKLGQJGTZMEFZ-OQPBUACISA-N 491.464 7.657 50 10 JKGE Clc1ccc(CN2CC[C@H]3[C@H](CCC[C@H]3Br)C2)cc1I 2362374400 YIPIQICFLRWUAC-HZSPNIEDSA-N 468.604 5.330 50 10 JKGE Cc1cccc(C[C@H](CBr)Cc2ccc(Cl)c(I)c2)c1 2362379499 NAHMDAHOUOGULM-HNNXBMFYSA-N 463.584 6.049 50 10 JKGE COc1c(Br)cc(C)c([C@H](Br)C(C)(C)C(C)(C)C)c1Br 2365230197 HPUQHBOQXBBQNC-AWEZNQCLSA-N 471.071 7.037 50 10 JKGE CC(C)[C@H](Br)C(C)(C)CN(C)Cc1cc(Cl)ccc1I 2365898162 IHXSDRZBFLNNAI-HNNXBMFYSA-N 472.636 5.822 50 10 JKGE CC(C)C[C@H](CBr)CN1C[C@@H]2CC(F)(F)CC[C@]2(NC(=O)OC(C)(C)C)C1 2382175703 IYZPLSWYIBKISU-GJYPPUQNSA-N 453.412 5.058 50 10 JKGE CNC(=O)/C(C#N)=C\c1cn(-c2ccccc2)nc1-c1ccc(OCc2ccc(Cl)cc2)cc1 33375106 WTBKQPMVQWXTIG-QNGOZBTKSA-N 468.944 5.425 50 10 JKGE CCN(Cc1ccccc1)c1ccc(/C=C(/C#N)C(=O)Nc2ccc(SC(F)F)cc2)cc1 33410260 KDCMUADKQIFPCZ-PGMHBOJBSA-N 463.553 6.573 50 10 JKGE Cc1cc(Oc2nc3c(C)cccn3c(=O)c2/C=C(\C#N)c2nc3ccccc3[nH]2)ccc1Cl 33584197 WRDNJDAGUJRWRU-GHRIWEEISA-N 467.916 5.698 50 10 JKGE CCOC(=O)c1c(-c2ccc(Br)cc2)csc1NC(=O)/C(C#N)=C\c1cccs1 33736885 GVAUJUDZWQEXSS-UVTDQMKNSA-N 487.400 5.961 50 10 JKGE N#C/C(=C\c1ccc(-c2ccc(C(=O)OCc3ccccc3Cl)cc2)o1)c1nc2ccccc2[nH]1 35223600 OOCLWHPWZVOPKN-RCCKNPSSSA-N 479.923 6.897 50 10 JKGE CCCOc1cccc(-c2nn(-c3ccccc3)cc2/C=C(/C#N)S(=O)(=O)c2ccccc2)c1 35446655 QKLHAJRVEOLZIG-ITYLOYPMSA-N 469.566 5.666 50 10 JKGE C=CCOc1ccc(C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@@H]3c2ccc(OCC=C)cc2)cc1 38658151 ZKCGSOWCEWTPCJ-HHHXNRCGSA-N 480.520 5.254 50 10 JKGE CCc1ccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)COc4ccc(C(C)(C)C)cc4)ccc32)cc1 38677383 GECLKRMVGBQHRU-MUUNZHRXSA-N 482.580 5.749 50 10 JKGE Cc1cccc(C(=O)N/N=C2\CCCc3oc(C(=O)Nc4cc(Cl)cc(Cl)c4)c(C)c32)c1 40811334 ZQRKQDQOLNGQEH-TURZUDJPSA-N 470.356 5.926 50 10 JKGE Cc1cccc(C(=O)N/N=C2\CCCc3oc(C(=O)Nc4ccccc4Br)c(C)c32)c1 40811383 UIQSQKGGYILFFE-ZXVVBBHZSA-N 480.362 5.382 50 10 JKGE C#CCOc1ccc(/C=N/NC(=O)c2ccc(-n3c(C)ccc3-c3ccccc3)cc2)cc1OC 59305251 VWSKLBSSSJUMDG-TWKHWXDSSA-N 463.537 5.237 50 10 JKGE CCc1ccc(OCCCC(=O)Oc2ccc(/C=C(/C#N)C(=O)NCc3ccccc3)cc2OC)cc1 98026950 YVHLFNBCVCXPEO-BWAHOGKJSA-N 498.579 5.246 50 10 JKGE CC(C)(C)c1ccc(OCC(=O)NN=C2CCCCCCCCCCC2)c(Br)c1 100429210 PFPDRWIQYJQNQY-UHFFFAOYSA-N 465.476 6.902 50 10 JKGE Cc1ccc(/C=C(\C#N)c2nc(-c3cc4cc(Br)ccc4oc3=O)cs2)cc1[N+](=O)[O-] 102612431 HFSUMPBSYIUCLB-GIDUJCDVSA-N 494.326 5.960 50 10 JKGE N#C/C(C(=O)Nc1ccccc1)=C1\S[C@H](Cc2ccc(F)cc2)C(=O)N1c1ccc(F)cc1 102973889 FUCUVRXJXRHOPJ-FNBPXTNNSA-N 461.493 5.030 50 10 JKGE CCCCCOc1ccc(/C=C(/C#N)C(=O)Nc2ncc(Cc3ccc(C)cc3)s2)cc1OC 102974050 OJADKTYSSYCPPK-HMAPJEAMSA-N 475.614 6.166 50 10 JKGE N#C/C(=C\c1ccc(Br)cc1)c1ccc(/C(C#N)=C\c2ccc(Br)cc2)cc1 108819328 OQBGVHBOOWMCPK-VOKWCDJLSA-N 490.198 7.340 50 10 JKGE Fc1ccc(Br)c([C@H](Cl)c2cc(Br)ccc2Br)c1 109803292 QEQRQQOGTSEQJV-CYBMUJFWSA-N 457.362 6.441 50 10 JKGE Clc1ccc(C[C@@H](Br)c2cc(Br)cc(Br)c2)cc1Cl 236045780 VECZODZVKBZRQZ-GFCCVEGCSA-N 487.844 7.197 50 10 JKGE O=C(NN=C(/C=C\c1ccccc1[N+](=O)[O-])c1ccccc1)c1ccccc1I 252461984 OXDZREZUYTXJRX-HKOKZCENSA-N 497.292 5.047 50 10 JKGE Cl[C@H](Cc1ccc(Br)cc1)c1cc(I)cc2c1OCC2 312396037 UHWBKZXPJAEHEB-OAHLLOKOSA-N 463.540 5.511 50 10 JKGE O=C(NC[C@H]1CCC[C@@H](CBr)C1)c1cc(Br)ccc1Br 312650883 KVXYAIYXHLHXPE-MNOVXSKESA-N 468.027 5.143 50 10 JKGE C[C@H]1C[C@H](OC2(CI)CCN(C(=O)OC(C)(C)C)CC2)CC(C)(C)C1 380746327 ZNMVASZOLNIOFA-HOTGVXAUSA-N 465.416 5.423 50 10 JKGE C[C@H](Cl)c1nc2cc(I)c(F)cc2n1CCN(C)Cc1ccccc1 386799573 BKMPFTZQJODPKF-ZDUSSCGKSA-N 471.745 5.212 50 10 JKGE C[C@H]1CN(Cc2ccccc2)C[C@@H]1n1c(CCCl)nc2cc(Br)c(F)cc21 389869955 OZFXFSIZDRAHTG-XOBRGWDASA-N 450.783 5.412 50 10 JKGE Fc1cc2c(cc1I)nc(CCCl)n2CCCCOCc1ccccc1 390663546 SWTLHNNUCUGGLE-UHFFFAOYSA-N 486.756 5.558 50 10 JKGE O=C(OCc1ccccc1)N1C[C@@H](CI)[C@@H](c2ccc(Cl)s2)C1 394734124 RQTSKAZXZJYHKY-KGLIPLIRSA-N 461.752 5.189 50 10 JKGE C[C@@H](Cl)c1nc2cc(F)c(Br)cc2n1[C@]1(C)CCN(Cc2ccccc2)C1 405976910 XVJMGJABTZHOKN-SPLOXXLWSA-N 450.783 5.859 50 10 JKGE Cc1ccc([C@@H](Br)c2cc(Cl)cc(Br)c2)c(C)c1Br 719536466 MVKQJURUAGZOEO-HNNXBMFYSA-N 467.426 6.966 50 10 JKGE Fc1cc(F)c(F)c([C@@H](Cl)c2ccc(I)c(Br)c2)c1F 721608308 GLXMXQUBQHRXSQ-NSHDSACASA-N 479.436 5.938 50 10 JKGE Fc1cccc([C@@H](Cl)c2scc(C(F)(F)F)c2Br)c1I 721695683 BBVGUOXLFXOCQD-SECBINFHSA-N 499.492 6.601 50 10 JKGE COc1cc(C=NNC(=O)CC[C@H](O)c2ccccc2)cc(Cl)c1OCc1ccccc1F 725405675 JTXWDSYPJNQUKY-QFIPXVFZSA-N 470.928 5.031 50 10 JKGE O=C(NN=Cc1ccccc1Oc1ccc(C(F)(F)F)cc1[N+](=O)[O-])c1ccc([N+](=O)[O-])cc1 1084134776 AMNXIQNZGGTTQQ-UHFFFAOYSA-N 474.351 5.078 50 10 JKGE C[C@H](Sc1ccccn1)C(=O)NN=C1C(=O)N(C(c2ccccc2)c2ccccc2)c2ccccc21 1084175902 DLLAMEXUBJLIDE-FQEVSTJZSA-N 492.604 5.219 50 10 JKGE O=C(NN=Cc1cc(Br)ccc1OCc1ccccc1)c1ccc(Cl)c(Cl)c1 1084241068 ZTIOEGZJSBVRGX-UHFFFAOYSA-N 478.173 6.099 50 10 JKGE COc1ccc(CSCC(=O)NN=C(C)c2ccc3c(c2)[C@@H]2C=CC[C@@H]2[C@H](c2ccccc2)N3)cc1 1084314125 WDNSJAYMCPRJTC-YIIWZEITSA-N 497.664 6.295 50 10 JKGE COc1cccc(COc2ccccc2C=NNC(=O)[C@H](C)Oc2ccc3ccccc3c2)c1 1084351166 LXQTUQWOBDGERT-FQEVSTJZSA-N 454.526 5.345 50 10 JKGE O=C(CCCSc1nc2ccc([N+](=O)[O-])cc2s1)NN=Cc1cccc(Oc2ccccc2)c1 1084361927 CJBQVKZUVVVXQY-UHFFFAOYSA-N 492.582 6.019 50 10 JKGE COc1ccc(C(=O)Oc2ccc(/C=C(\C#N)C(=O)Nc3ccc(Cl)c(Cl)c3)cc2)cc1 1084515047 OMQFJSBBAHOGJF-SFQUDFHCSA-N 467.308 5.767 50 10 JKGE Clc1nc2ccccc2cc1[C@@H]1CN(Cc2ccccc2)C[C@@H]1CI 1614690409 DWSXYZFZDVCXBP-PKOBYXMFSA-N 462.762 5.539 50 10 JKGE Cc1ccc(COc2ccc(C=NNC(=O)COc3ccc(Br)cc3C(C)C)cc2)cc1 1772756021 XSUAWMNOPFVTPY-UHFFFAOYSA-N 495.417 5.989 50 10 JKGE Cc1ccc(Cn2nc(-c3ccccc3)c3c2OC(N)=C(C#N)[C@@H]3c2cccc3ccccc23)cc1 1865682827 YFUMRSPFSXNHKP-MHZLTWQESA-N 468.560 6.278 50 10 JKGE CCc1nn(Cc2ccc(C)cc2)c2c1[C@H](c1c(OC)ccc3ccccc13)C(C#N)=C(N)O2 1865688595 WAVREJSVLVSQEP-VWLOTQADSA-N 450.542 5.182 50 10 JKGE C=CCOc1ccccc1[C@@H]1C(C#N)=C(N)Oc2c1c(C(F)(F)F)nn2Cc1cc(C)ccc1C 1865691479 SZJPOBYKSQBQES-OAQYLSRUSA-N 480.490 5.350 50 10 JKGE COc1ccc(-c2nn(Cc3cccc(Cl)c3)c3c2[C@H](c2cccs2)C(C#N)=C(N)O3)cc1 1865697782 BOXYKWPPHCJVCC-NRFANRHFSA-N 474.973 5.540 50 10 JKGE Cc1ccc(C)c(Cn2nc(-c3ccccc3)c3c2OC(N)=C(C#N)[C@@H]3c2cn(C)c3ccccc23)c1 1865698728 BKDOXQHJISIWKY-HHHXNRCGSA-N 485.591 5.925 50 10 JKGE CCc1nn(Cc2ccccc2F)c2c1[C@@H](c1ccc(OCc3ccccc3C)cc1)C(C#N)=C(N)O2 1865703153 OEYYMGOGFLBSSD-MHZLTWQESA-N 494.570 5.739 50 10 JKGE CCOc1cc([C@@H]2C(C#N)=C(N)Oc3c2c(C)nn3CC)ccc1OCc1c(Cl)cccc1Cl 1865703634 XMPPFBWSKZIPRD-HSZRJFAPSA-N 499.398 5.714 50 10 JKGE CCc1ccc([C@@H]2C(C#N)=C(N)Oc3c2c(-c2ccc(OC)cc2)nn3-c2ccc(Cl)cc2)cc1 1865709273 SORKEYVKWRCUKU-XMMPIXPASA-N 482.971 5.982 50 10 JKGE CCCc1nn(-c2ccc(C)cc2)c2c1[C@H](c1cccc(OCc3ccccc3)c1)C(C#N)=C(N)O2 1865711872 KAMMNZNQQKPXEF-HHHXNRCGSA-N 476.580 5.930 50 10 JKGE Cc1ccc(-c2cc(C(=O)N[C@@H](C(=O)Nc3ccc(SC#N)cc3)c3ccccc3)nn2C)cc1C 1866826354 PBGTWOWAEGUTTF-AREMUKBSSA-N 495.608 5.387 50 10 JKGE CCc1cccc(OC2CCN(c3cc(Nc4ccc(SC#N)cc4)nc(C(C)C)n3)CC2)c1 1868231404 FXGHNCKGILWPAI-UHFFFAOYSA-N 473.646 6.527 50 10 JKGE N#C/C(=C(/O)Cc1ccc(Cl)c(Cl)c1)c1nc(-c2ccc(-c3ccccc3)cc2)cs1 1872743572 BKPOZHPLLBLRSM-GFMRDNFCSA-N 463.389 7.819 50 10 JKGE COc1cc(-c2csc(/C(C#N)=C(\O)c3cc([N+](=O)[O-])ccc3Cl)n2)c(OC)cc1Cl 1872756645 UIQBSTQFYICJFG-UYRXBGFRSA-N 478.313 5.992 50 10 JKGE CCCOc1c(Br)cc(/C=C(\C#N)c2nc(-c3cccc(OC)c3)cs2)cc1OC 1872781805 RXSSJHAUJFXSON-RQZCQDPDSA-N 485.403 6.443 50 10 JKGE CC(C)(C)OC(=O)N[C@H](CCl)Cc1ccc(OCc2ccccc2)c(OCc2ccccc2)c1 1883109839 DWWOKMWYCQNXAT-DEOSSOPVSA-N 482.020 6.519 50 10 JKGE Clc1ccsc1[C@@H](Br)c1cc(Br)ccc1OCc1ccccc1 1899856562 JIRLIJZAVTXIPV-KRWDZBQOSA-N 472.629 7.227 50 10 JKGE FC(F)(F)CC[C@H](Br)c1cc(Br)ccc1OCc1ccccc1 1899857703 RKWKFGPMLCIYOR-HNNXBMFYSA-N 452.108 6.807 50 10 JKGE Clc1cc(I)c([C@@H](Br)c2cccc(Br)c2)s1 1900918501 GEDMLRQLRTYRFN-JTQLQIEISA-N 492.401 6.253 50 10 JKGE Fc1cc(Br)c2nc(CCl)n([C@H]3CCOC[C@H]3OCc3ccccc3)c2c1 1912679485 DYKRYBHRXZVROM-FUHWJXTLSA-N 453.739 5.224 50 10 JKGE O=C(c1cc(Br)cc(Br)c1)N(Cc1ccccc1)[C@H](CCl)C1CC1 1915159602 QHDXKLZYIPIPKN-GOSISDBHSA-N 471.620 5.871 50 10 JKGE CC(C)[C@H](CBr)N(Cc1ccccc1)C(=O)c1ccc(Cl)c(Br)c1 1915297793 LFNWYUHTFITICY-SFHVURJKSA-N 473.636 6.164 50 10 JKGE CCC[C@@H](CC(C)C)[C@@H](Br)c1sc(Br)c(C)c1Br 1922893022 CWEXNGVRSVGFKM-CMPLNLGQSA-N 461.101 7.480 50 10 JKGE Cc1cc([C@@H](Br)c2sc(Br)c(C)c2Br)cc(C)c1F 1922913106 UIVJURRKPQVNPJ-LLVKDONJSA-N 471.027 6.822 50 10 JKGE FC1(F)CCCC[C@H]1[C@@H](Br)c1sc(Br)cc1Br 1922936527 VWZXZJJCIKODNJ-IMTBSYHQSA-N 452.984 6.535 50 10 JKGE CC(C)CCN(CCBr)C(=O)c1cc(Br)ccc1Br 1924457221 KHYAHGDKNISSLS-UHFFFAOYSA-N 456.016 5.095 50 10 JKGE FC1(F)[C@@H]2CC[C@H]([C@H](Cl)c3c(Br)sc(Br)c3Br)C[C@H]21 1924616599 QUAZRMIGKQJHIO-VODXULPGSA-N 499.440 6.997 50 10 JKGE Cl[C@H](Cc1ncccc1Br)c1cccc(Br)c1Br 1924884710 HAHWATSSLDPEBK-LLVKDONJSA-N 454.387 5.892 50 10 JKGE CCc1cc(Br)c([C@H](Cl)c2cc(Br)sc2Br)s1 1942097268 HDZNJMLIQPNZIH-SECBINFHSA-N 479.484 6.988 50 10 JKGE Cc1cc(Br)c([C@H](Cl)c2c(Br)cccc2Br)s1 1945324175 WOSJRDYFHNDHEM-LLVKDONJSA-N 459.428 6.672 50 10 JKGE Cc1cc([C@H](Br)c2ccc(Br)s2)ccc1I 1995253965 MSXNNHRHMDOEQM-LBPRGKRZSA-N 471.983 5.908 50 10 JKGE Fc1ccc(I)cc1[C@@H](Br)Cc1ccncc1Br 2050465150 QXLOPYRXPYWUSF-NSHDSACASA-N 484.932 5.267 50 10 JKGE Cc1cc(Br)c(CBr)c(N(C)[C@@H]2C[C@@H](C)N(Cc3ccccc3)C2)c1 2053206892 VLFFUAZRXYIJAB-SJLPKXTDSA-N 466.261 5.752 50 10 JKGE COc1cc(Cl)c([C@@H](Br)c2csc(Br)c2)cc1Br 2082378393 ZNRDCZDTCVQTOA-LBPRGKRZSA-N 475.427 6.419 50 10 JKGE Fc1ccc(Br)cc1[C@@H](Cl)c1ccc(Br)cc1Br 2083330397 OBBLCEXVWXKFLM-ZDUSSCGKSA-N 457.362 6.441 50 10 JKGE BrCC[C@@H]1CCCN(Cc2c(Br)cccc2Br)CC1 2094092448 FZAKQDOVJDIEII-LBPRGKRZSA-N 454.044 5.599 50 10 JKGE CO[C@H]1C[C@H]([C@H](Cl)c2c(Br)sc(Br)c2Cl)C[C@H]1OC 2118271421 ORKGHWVSWAVOLK-LKHWLPBLSA-N 453.023 5.646 50 10 JKGE CC(C)[C@@H]1CC[C@H](Br)[C@H](Cc2cc(Br)ccc2Br)C1 2118524903 OGILOSLAKGCBMC-XUJVJEKNSA-N 453.056 6.590 50 10 JKGE Cc1cc(Br)c(C)c([C@@H](Br)[C@@H]2CCC(C)(C)C2)c1Br 2136374020 IEZLGRIZEXTUCV-ABAIWWIYSA-N 453.056 7.091 50 10 JKGE Brc1ccc([C@H](Br)[C@@]23CCCC[C@@H]2OCC3)c(Br)c1 2138860678 BTQHAMCARZIBPT-SOUVJXGZSA-N 453.012 5.997 50 10 JKGE CC(C)Cc1ccc([C@@H](Br)c2cccc(Br)c2Br)cc1 2148752163 SQGNWAZUSFVHOL-MRXNPFEDSA-N 461.035 6.894 50 10 JKGE Brc1cccc([C@H](Br)c2ccc3c(c2)OCCO3)c1Br 2148752673 UVWVSOXELDHCRY-CQSZACIVSA-N 462.963 5.467 50 10 JKGE C[C@H](Cl)c1nc2cc(I)ccc2n1[C@@H]1CN(Cc2ccccc2)C(C)(C)C1 2154535566 RYTJXYVITWVMKI-YJBOKZPZSA-N 493.820 6.166 50 10 JKGE C[C@@H](Cl)c1nc2cc(I)ccc2n1[C@H]1CCCCN(Cc2ccccc2)C1 2158570665 FPJGIKAHIPRFGQ-APWZRJJASA-N 493.820 6.168 50 10 JKGE Cc1cc(C)c([C@@H](Br)c2c(Cl)cccc2Br)c(C)c1Br 2169466474 WDDQEENNSOLKNX-MRXNPFEDSA-N 481.453 7.275 50 10 JKGE CC[C@@H](Br)[C@@H]1CCCCN1C(=O)c1cc(Br)ccc1Br 2170612263 HOOPVWKNMPVEKS-OCCSQVGLSA-N 468.027 5.380 50 10 JKGE CCCN(c1cc(Br)cc(F)c1CBr)C1CCN(Cc2ccccc2)CC1 2170685434 SABPKNODBUQABL-UHFFFAOYSA-N 498.278 6.364 50 10 JKGE Brc1ccccc1[C@@H](CI)O[C@H]1COC2(CCCC2)C1 2189463166 SXXUFPTZLGIXLD-IUODEOHRSA-N 451.142 5.044 50 10 JKGE BrCC(CBr)(C[C@@]12CC[C@@H](CO1)C2)c1cccc(Br)c1 2193351330 HSQUKHZZJGKCMD-WBMJQRKESA-N 467.039 5.436 50 10 JKGE Fc1ccc([C@H](Br)c2c(Br)cc(F)c(Cl)c2F)cc1Br 2201618442 JAJGHLULVPJULV-NSHDSACASA-N 493.342 6.767 50 10 JKGE Cc1c(Br)ccc([C@H](Br)Cc2c(F)cccc2F)c1Br 2203681646 AUDYCXVYDATXAX-GFCCVEGCSA-N 468.961 6.477 50 10 JKGE Brc1csc([C@@H](Br)c2ccc(-c3ccccc3)s2)c1Br 2206139433 YVBOMGOGYLKRQO-AWEZNQCLSA-N 493.083 7.486 50 10 JKGE COc1c(C)cc(Br)cc1[C@@H](Br)c1cc(Cl)ccc1Br 2206569695 PQUJJSFAOMRURS-AWEZNQCLSA-N 483.425 6.666 50 10 JKGE FC[C@H](Br)Cc1sc(Br)c(Br)c1Br 2209350028 XECYUWPJSALMBO-GSVOUGTGSA-N 459.798 5.311 50 10 JKGE Brc1sc([C@@H]2CCCCC[C@@H]2Br)c(Br)c1Br 2212188957 GPFULUWGKCOSSG-RQJHMYQMSA-N 495.900 6.847 50 10 JKGE Cn1nc([C@@H](Br)c2cc(Br)c(Br)cc2F)cc1Cl 2218602366 FHPQRJOKTSGCQW-NSHDSACASA-N 461.354 5.222 50 10 JKGE ClCc1nc2cc(Br)c(Br)cc2n1[C@H]1CCN(Cc2ccccc2)C1 2218660787 ZUCLRAHOALSFOD-AWEZNQCLSA-N 483.635 5.747 50 10 JKGE CC[C@]1([C@@H](Br)c2c(Br)cc(Cl)c(Cl)c2Cl)CCCO1 2224325093 XEWDJOSYLDPVCX-QWHCGFSZSA-N 451.413 6.805 50 10 JKGE Cc1cc(Br)c([C@H](Br)[C@H]2C[C@]2(C)C(F)F)c(C)c1Br 2227350656 ILHHMAYYRHMPRC-RGZBUGHASA-N 460.982 6.556 50 10 JKGE Cc1sc([C@H](Cl)c2cc(Br)c(Br)cc2F)c(Br)c1C 2229325908 OSQVKUGOCPXFQP-GFCCVEGCSA-N 491.445 7.120 50 10 JKGE COc1cc(F)c(Br)cc1[C@@H](Br)c1sc(C)cc1Br 2229326268 UPXASDDTDKJZAP-GFCCVEGCSA-N 472.999 6.214 50 10 JKGE Fc1cc(Br)c(Br)cc1[C@H](Br)[C@@H]1CCCCCC1(F)F 2233982156 RGSMDOHSOVYQQV-ZANVPECISA-N 478.972 7.002 50 10 JKGE Cc1c(Br)csc1[C@@H](Br)c1ccc(Br)c2ccccc12 2234517654 PVXHIVIHUSUAML-HNNXBMFYSA-N 475.043 7.219 50 10 JKGE Cc1cc(Br)c([C@H](Br)Cc2cccc(F)c2)c(C)c1Br 2235604267 NCZZRFJGHXPPGY-CQSZACIVSA-N 464.998 6.646 50 10 JKGE Brc1ccc(C[C@H](Br)c2ccc3c(c2Br)CCO3)cc1 2238076021 GYAXNZNXEXJPTN-AWEZNQCLSA-N 460.991 5.825 50 10 JKGE Cc1sc([C@@H](Cl)c2cccc(F)c2I)c(Br)c1C 2253471912 TXZLYRZXHCPQPD-NSHDSACASA-N 459.549 6.199 50 10 JKGE Fc1cccc(I)c1[C@H](Br)Cc1cccc(Br)c1 2255894889 GIUNIMGKWWTEID-LLVKDONJSA-N 483.944 5.872 50 10 JKGE COc1ccc([C@@H](Br)c2sncc2Br)c(Br)c1Cl 2256328620 CAOPYJQJTYDGLH-SECBINFHSA-N 476.415 5.814 50 10 JKGE FC1CC2(C1)CC([C@H](Br)c1c(Br)sc(Br)c1Cl)C2 2259485877 ROFFYEVRQAROHT-QANOSFDNSA-N 481.450 6.891 50 10 JKGE Cc1sc(Br)cc1[C@H](Cl)c1c(F)cc(Br)c(F)c1Br 2272843239 SDLCYHMSMPKLJF-NSHDSACASA-N 495.408 6.950 50 10 JKGE CC1(C)CC12CC([C@@H](Br)Cc1cc(Br)cc(Br)c1)C2 2277952153 CRCPNCFEFXQSRH-WMEQCIOUSA-N 451.040 6.344 50 10 JKGE CCO[C@@H]1CC[C@@H]([C@H](Br)Cc2cc(Br)cc(Br)c2)C1 2277955608 KEEFNSVBHHPKQG-KCPJHIHWSA-N 455.028 5.723 50 10 JKGE Brc1ccc(C[C@H](Br)c2cc3sc(Br)cc3s2)cc1 2278023832 RPIYPBFOQDRUMT-JTQLQIEISA-N 481.072 7.167 50 10 JKGE Cc1cc([C@H](Cl)c2c(F)cc(Br)c(F)c2Br)ccc1Br 2288351082 CJLLHUQFYNFJIB-ZDUSSCGKSA-N 489.379 6.889 50 10 JKGE Cc1ccc(NC(=O)C(C#N)=C2S[C@H](Cc3ccccc3Cl)C(=O)N2c2ccc(C)cc2)cc1 2293038762 YDOHTUCUIYEGRE-XMMPIXPASA-N 488.012 6.022 50 10 JKGE Cc1cc([C@H](Br)Cc2cc(Br)cc(Br)c2)c(F)cc1F 2295275334 UETQCKAVGAQMSU-CYBMUJFWSA-N 468.961 6.477 50 10 JKGE CC(C)CN(C[C@H](C)Br)C(=O)Cc1cc(Br)cc(Br)c1 2295314856 DQONZQCMLYUKFG-NSHDSACASA-N 470.043 5.022 50 10 JKGE COc1c(Br)cc(Cl)c(C)c1[C@H](Br)c1ccccc1Br 2295359473 GYGQRBZQRDOYOR-CQSZACIVSA-N 483.425 6.666 50 10 JKGE COc1cc(C=C(C#N)C(=O)Nc2cc(Cl)cc(Cl)c2)ccc1OCc1ccc(F)cc1 2295459646 JGCCMSAPSFPJCX-UHFFFAOYSA-N 471.315 6.266 50 10 JKGE CCCCCCCCCCCCCCCCN1C=CC(=CC=C(C#N)C(=O)OCC)c2ccccc21 2296645063 WQJMOIBRHOOROL-UHFFFAOYSA-N 490.732 8.898 50 10 JKGE CCOc1cc(C=C(C#N)C(=O)Nc2nc3ccccc3s2)ccc1OCc1ccccc1C#N 2297500342 HOGRSNKGMYYWMV-UHFFFAOYSA-N 480.549 5.691 50 10 JKGE Cc1cc([C@H](Br)c2cc(Br)ccc2OCc2ccccc2)c(C)o1 2299493197 KHRBTQAEAGCKGA-FQEVSTJZSA-N 450.170 6.722 50 10 JKGE BrC[C@@H](Cc1sccc1I)c1cccc(Br)c1 2301002639 NFYMJXGWLBCAFB-SNVBAGLBSA-N 486.010 5.836 50 10 JKGE Cc1nn(C)c([C@H](Br)c2sc(Cl)cc2I)c1Cl 2301082719 BQWHUXOHJVVFBR-ZETCQYMHSA-N 465.969 5.186 50 10 JKGE CCc1ccccc1NC(=O)C(C#N)=Cc1cc(Br)ccc1OCc1ccccc1Cl 2313676611 JLZCQFXHNIQLKO-UHFFFAOYSA-N 495.804 6.790 50 10 JKGE Fc1ccc(F)c([C@@H](Br)c2cc(Br)ccc2OCc2ccccc2)c1 2314446509 UDWSESVDZCMEQE-HXUWFJFHSA-N 468.135 6.791 50 10 JKGE CCO[C@@H]1CC[C@H]([C@H](Br)c2ccc(OCc3ccccc3)cc2Br)C1 2314447091 WQSZTIMHSKPPOW-FVJLSDCUSA-N 468.229 6.669 50 10 JKGE Brc1ccc(OCc2ccccc2)c([C@@H](Br)C2(CC3CC3)CCC2)c1 2314447139 XDOJAEJOMPXPEW-OAQYLSRUSA-N 464.241 7.435 50 10 JKGE CC(C)([C@@H]1CCCO1)[C@@H](Br)c1cc(Br)ccc1OCc1ccccc1 2314455456 OZMDJZTZXOMSKA-PMACEKPBSA-N 468.229 6.669 50 10 JKGE Cc1ccc(-c2ccc(C=C(C#N)C(=O)Nc3sc4c(c3C#N)CCCC4)o2)c([N+](=O)[O-])c1 2314489682 VHRQCVJZLQAUBY-UHFFFAOYSA-N 458.499 5.521 50 10 JKGE CCc1ccc(N2C(=O)[C@@H](Cc3ccccc3C)SC2=C(C#N)C(=O)Nc2ccccc2OC)cc1 2314591839 GAIAQFGUXQSXNI-AREMUKBSSA-N 497.620 5.631 50 10 JKGE COc1ccc(N2C(=O)[C@@H](Cc3ccc(C)cc3)SC2=C(C#N)C(=O)Nc2ccc(C)cc2)cc1 2314591939 IDHBALUBYRBJMU-RUZDIDTESA-N 483.593 5.377 50 10 JKGE CCOc1ccc(N2C(=O)[C@@H](Cc3ccc(C)c(C)c3)SC2=C(C#N)C(=O)Nc2ccccc2)cc1 2314592646 ZKQNBMJFOHWAGN-AREMUKBSSA-N 497.620 5.767 50 10 JKGE Brc1cc2c(c([C@H](Br)c3cnsc3Br)c1)OCC2 2315639513 PRDAKIJTVKUCPI-JTQLQIEISA-N 453.981 5.087 50 10 JKGE C[C@]12C[C@H](C1)[C@H]([C@H](Cl)c1c(Br)sc(Br)c1Br)CO2 2315930017 SOFJCXFPMGBWRN-XGSYFURPSA-N 479.459 6.131 50 10 JKGE N#CC(=Cc1ccc(OC(=O)C=Cc2ccc(OCc3ccccc3)cc2)cc1)c1cccc(Cl)c1 2320506593 MUTXLJPLSDIUCI-UHFFFAOYSA-N 491.974 7.602 50 10 JKGE Cc1cccc(C)c1OCCCC(O)=C(C#N)c1nc(-c2ccc(-c3ccccc3)cc2)cs1 2331232090 RKVYYSLCXWJBEE-UHFFFAOYSA-N 466.606 7.746 50 10 JKGE CCCOc1ccc(-c2csc(C(C#N)=C(O)Cc3cc(C)ccc3C)n2)cc1OCCC 2331293350 ZYMQLILQPNWARP-UHFFFAOYSA-N 462.615 7.040 50 10 JKGE CC(C)(C)c1ccc(-c2csc(C(C#N)=C(O)c3cc(C(F)(F)F)cc(C(F)(F)F)c3)n2)cc1 2331331942 KYIYKVDQNVQJEU-UHFFFAOYSA-N 496.476 8.095 50 10 JKGE COc1cc(Cl)c(C)cc1-c1csc(C(C#N)=C(O)c2ccccc2Br)n1 2331390577 PDUQCFVGOBXMJC-UHFFFAOYSA-N 461.768 6.493 50 10 JKGE Cc1ccc(-c2csc(C(C#N)=Cc3ccc(OCc4ccc(Cl)cc4Cl)cc3)n2)cc1 2331444120 ORHLHJYHLLXWKT-UHFFFAOYSA-N 477.416 8.069 50 10 JKGE COc1cc(OC)c(OC)cc1C=C(C#N)c1nc(-c2ccc(OC)c3ccccc23)cs1 2331490176 YPWWAXQRENBMSC-UHFFFAOYSA-N 458.539 6.062 50 10 JKGE CC[C@@H]1CC[C@@H]([C@@H](Br)c2c(Cl)cc(Br)c(F)c2Br)O1 2337086738 PMCDBGJCZNPTNA-OUAIYISWSA-N 479.409 6.398 50 10 JKGE CCN(C[C@@](C)(CI)OC[C@@H]1C[C@H]2CCC[C@H]1CC2)C(=O)OC(C)(C)C 2338899769 QQGMFCKEZGTCRO-RYLXDESZSA-N 479.443 5.670 50 10 JKGE Cc1cc(Br)c(F)c(Br)c1[C@@H](Br)[C@@H](C)CC(C)(C)C 2339651427 PKZIXOYTYHWYAG-CABZTGNLSA-N 459.035 7.167 50 10 JKGE Cc1cc(Br)c(F)c(Br)c1[C@H](Br)[C@@H]1C[C@H](C)O[C@@H]1C 2339652184 WWKKGHUIPNESMQ-FNOROQBZSA-N 458.991 5.909 50 10 JKGE COc1c(Br)cc(C)c([C@@H](Br)C[C@@H](C)C(F)F)c1Br 2339656108 KOTCSAWCYHQAFT-SFYZADRCSA-N 464.970 6.256 50 10 JKGE COc1c(Br)cc(C)c([C@H](Cl)c2csc(Br)c2)c1Br 2339680841 BGZMSPKIJCYZGX-GFCCVEGCSA-N 489.454 6.681 50 10 JKGE CN(CC[C@H](Br)c1cccs1)C(=O)c1sccc1I 2340429456 HGMAPJKLMPHXFK-VIFPVBQESA-N 470.195 5.013 50 10 JKGE Clc1cc(Cl)cc(CC[C@H](Br)c2cc(Cl)c(Br)s2)c1 2341116425 KHJLAJQAFDSMIH-JTQLQIEISA-N 463.449 7.540 50 10 JKGE BrC[C@@H](OCc1cccc(I)c1)c1cccc(Br)c1 2341612879 WYPMHLHPPPTVJC-OAHLLOKOSA-N 495.980 5.707 50 10 JKGE COC(C)(C)C1([C@H](Br)Cc2cc(Br)cc(Br)c2)CC1 2343565848 BQZBKFWFONPYFF-CYBMUJFWSA-N 455.028 5.723 50 10 JKGE Brc1coc([C@@H](Br)c2cc3c(cc2Br)OCCC3)c1 2343579611 CWYFTGDULHAHFS-AWEZNQCLSA-N 450.952 5.614 50 10 JKGE Fc1cc(Cl)c(Br)c(Cl)c1[C@H](Br)[C@@H]1CC[C@@H]1C(F)(F)F 2360436094 NURXPPTVNJBCGX-IKMPGZOFSA-N 458.902 6.920 50 10 JKGE FC(F)(F)CCCCCO[C@@H](CI)c1cccc(Br)c1 2362733458 XZRAEFDPCQHNIZ-ZDUSSCGKSA-N 465.091 6.065 50 10 JKGE Cc1cc(Br)c(F)c(Br)c1[C@H](Br)[C@]1(C)C[C@H]1C(F)(F)F 2365222670 FZDHDLJXVACCEA-VSYUYLJXSA-N 482.935 6.684 50 10 JKGE COc1cc(Cl)c([C@@H](Cl)c2ccc(Cl)cc2I)cc1Cl 2365599031 UBJRXWANJIFQLQ-AWEZNQCLSA-N 461.941 6.588 50 10 JKGE COc1cc(Cl)c(CBr)c(N(C)[C@H]2CC(C)(C)[C@@H]2OCc2ccccc2)c1 2365808315 RTYLNLSRLISHKE-LEWJYISDSA-N 452.820 6.064 50 10 JKGE CC1(C)CC(CBr)(CN=[S@](C)(=O)C[C@@H](NC(=O)OC(C)(C)C)C(C)(C)C)C1 2371132545 CEZBXEYZGDDFNC-YVORESIASA-N 467.514 5.225 50 10 JKGE CC(C)(C)Oc1ccc([C@H](Cl)c2csc(I)c2)cc1Br 2381318156 WZTVHTXHXNTHKC-AWEZNQCLSA-N 485.612 6.621 50 10 JKGE COc1ccc(C[C@@H]2S/C(=C(/C#N)C(=O)Nc3cccc(C)c3C)N(c3ccccc3)C2=O)cc1 2222218 BCUJIUAEEFONRN-IDJUBOEBSA-N 483.593 5.377 50 10 JKGE Cc1cccc(C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@H]3c2ccc(Cl)c(Cl)c2)c1 38655662 DMRXVOSSJRAFPU-QFIPXVFZSA-N 451.309 5.739 50 10 JKGE N#CC1=C(N)Oc2cc(OC(=O)Cc3ccc(Cl)cc3)ccc2[C@@H]1c1ccc(Cl)c(Cl)c1 38656096 HNSVXZOCMWVRQU-QHCPKHFHSA-N 485.754 6.013 50 10 JKGE CCCOc1cccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4cccc(OCC)c4)ccc32)c1 38684470 IPUCQPIESDKKCP-SANMLTNESA-N 470.525 5.311 50 10 JKGE CCCOc1ccc(/C=C(\C#N)C(=O)Nc2nc(-c3ccc(-c4ccccc4)cc3)cs2)cc1 40882561 HNRAGDFBCIDAFN-JJIBRWJFSA-N 465.578 6.812 50 10 JKGE CCCCCOc1ccc(/C=N/NC(=O)CSc2nnc(-c3ccccc3)s2)cc1OCC 40947766 ATBPCUAAXHNHBS-PCLIKHOPSA-N 484.647 5.415 50 10 JKGE Cc1ccc(C(=O)Oc2ccc(Br)cc2/C=N/NC(=O)c2ccc(C(C)(C)C)cc2)cc1 48573271 OQOSQIAAWAJZOV-LQKURTRISA-N 493.401 6.038 50 10 JKGE CCOc1cc(/C=C(\C#N)C(=O)Nc2cccc(C)c2)ccc1OCc1ccc(Cl)cc1Cl 59201039 OSKOFRAKMSUHJZ-UDWIEESQSA-N 481.379 6.825 50 10 JKGE Cc1ccc(C)c(OCCCC(C)(C)C(=O)NNC(=O)CCCOc2ccc(Cl)cc2Cl)c1 66201425 MNMAQRXGGZOLEW-UHFFFAOYSA-N 495.447 5.802 50 10 JKGE ClCc1ccc(Br)cc1Oc1ccc(Br)cc1Br 84408725 CIFJEJJIUMXVCI-UHFFFAOYSA-N 455.371 6.505 50 10 JKGE CSc1cccc(N/C(SCc2ccc(C)cc2C)=C(\C#N)S(=O)(=O)c2ccccc2)c1 96482159 LLFGOECKYHCWGT-IZHYLOQSSA-N 480.680 6.537 50 10 JKGE CCc1ccc(N2C(=O)[C@H](Cc3ccccc3C)S/C2=C(/C#N)C(=O)N[C@H](C)c2ccccc2)cc1 101242815 NCEQSRYKWZKHLE-UVGSMNACSA-N 495.648 5.861 50 10 JKGE CC1=C(C#N)C(=O)N(CC(C)C)C(=O)/C1=C/c1cn(-c2ccccc2)nc1-c1c(C)cc(C)cc1C 101334634 KSQNRWHNXYBXBB-AFUMVMLFSA-N 478.596 5.713 50 10 JKGE COc1cc([C@@H](Br)c2ccc(Br)cc2)c(OC)cc1Br 134298936 VYMLBLFAPNVEBA-HNNXBMFYSA-N 464.979 5.713 50 10 JKGE Fc1cc(Cl)ccc1CC(CBr)(CBr)c1ccccc1Br 164857540 BJJBRPCENMSHLB-UHFFFAOYSA-N 499.443 6.512 50 10 JKGE C[C@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@@H](C=O)O[Si](C)(C)C 195787995 HZBOSAPUGYAKKA-XWTMOSNGSA-N 452.889 5.086 50 10 JKGE N#C/C(=C/Nc1ccccc1Sc1ccccc1)C(=O)NC1CCCCCCCCCCC1 217259721 NIOGSMYLMZOAAE-FCQUAONHSA-N 461.675 7.447 50 10 JKGE COc1c(Br)cc(Cl)cc1[C@@H](Cl)c1cccc(Br)c1Cl 228450243 XXEVYGVRZISJKC-LBPRGKRZSA-N 459.392 6.855 50 10 JKGE CCc1ccc([C@H](Br)c2cc(I)ccc2Br)cc1 234185631 OPPDDRLGIFDAPN-HNNXBMFYSA-N 479.981 6.100 50 10 JKGE COc1ccc(Br)cc1[C@@H](Br)c1ccc(F)cc1I 234842548 GNAAOSHVVKQAFA-AWEZNQCLSA-N 499.943 5.686 50 10 JKGE Cc1ccc([C@@H](Br)c2cc(I)ccc2Br)cc1 235922487 IZFJJCPHYKBAPB-CQSZACIVSA-N 465.954 5.846 50 10 JKGE Fc1ccc([C@H](Br)c2ccc(Br)cc2)c(I)c1 236248123 BOYSPULSYNCSDV-CYBMUJFWSA-N 469.917 5.677 50 10 JKGE 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 239038853 FBMLHCJNVNTSAR-QPMCIGMLSA-N 477.506 5.615 50 10 JKGE COc1ccc(C=NNC(=O)c2ccc(C(C)(C)C)cc2)cc1CSc1nc2ccccc2s1 252641810 ZFZWERIYYNKYJS-UHFFFAOYSA-N 489.666 6.659 50 10 JKGE CCN(C[C@@](C)(CI)OCc1ccc(Cl)cc1)C(=O)OC(C)(C)C 303741343 KXTUIHWMPKONNL-GOSISDBHSA-N 467.775 5.307 50 10 JKGE Fc1ccc([C@@H](Cl)c2scc(C(F)(F)F)c2Br)c(I)c1 312289810 PTAVMVAXOWBLLY-SNVBAGLBSA-N 499.492 6.601 50 10 JKGE C[C@@H]1[C@H](n2c(CCCl)nc3cc(I)c(F)cc32)CCN1Cc1ccccc1 312304766 OJHVOLWPCAEFFS-AUUYWEPGSA-N 497.783 5.397 50 10 JKGE Cc1cc(F)c([C@H](Br)c2ccc(Br)cc2Br)cc1Cl 395556273 DOUVMRMWLRNREA-CQSZACIVSA-N 471.389 6.797 50 10 JKGE Fc1cc(Br)c([C@H](Br)c2ccc(Br)cc2)c(F)c1F 398809070 WZMMSWSROMDCOD-LLVKDONJSA-N 458.897 6.113 50 10 JKGE C[C@@H]1CC[C@H](C(C)(C)Cc2cc(Cl)ccc2I)[C@H](Br)C1 405238265 ZVUKWZKOWMXRMS-BYCMXARLSA-N 469.632 6.713 50 10 JKGE C[C@@]1(n2c(CCl)nc3cc(I)ccc32)CCN(Cc2ccccc2)C1 406150730 VTFZWWCTBSDCLU-HXUWFJFHSA-N 465.766 5.001 50 10 JKGE CC(C)(C)[Si](C)(C)OCc1ccc([C@@H]2CCOCCN2S(=O)(=O)c2ccccc2)cc1 616598737 UYLNQSLKOBKARK-QHCPKHFHSA-N 461.700 5.361 50 10 JKGE CC(C)(C)OC(=O)Nc1ccc([C@H]2Cc3ccccc3N(CCO[Si](C)(C)C(C)(C)C)C2)cc1 616672988 RLPUQTROMVRDLZ-QHCPKHFHSA-N 482.741 7.202 50 10 JKGE CC(C)(COc1c(Br)cc(Br)cc1CBr)CC(F)F 694016783 XOWICVFIDLVTDY-UHFFFAOYSA-N 464.970 6.167 50 10 JKGE Brc1cc([C@@H](Br)c2ncsc2Br)cc2c1OCCC2 698689873 OAYWNCSXWLZENL-SNVBAGLBSA-N 468.008 5.477 50 10 JKGE C[C@@H](Cl)c1nc2cc(F)c(Cl)cc2n1CC1(N(Cc2ccccc2)Cc2ccccc2)COC1 705600147 GZKFNFFEXUBHMK-LJQANCHMSA-N 498.429 6.600 50 10 JKGE BrCc1cc(Br)cc(Br)c1OCC[C@@H]1C[C@H]1C1CC1 714880488 SLZNRDNLFGILIA-MFKMUULPSA-N 453.012 5.922 50 10 JKGE C[C@@H]1Cc2cc(Br)cc([C@@H](Cl)c3csc(I)c3)c2O1 720131908 KKWSOHQRPZLNIM-UHLUBPPHSA-N 469.569 5.767 50 10 JKGE Cc1cccc(-n2c(C)c(Br)c(C=NNC(=O)CCSc3ccccc3)c2C)c1 725406483 SDRIBPKAWGUJKC-UHFFFAOYSA-N 470.436 5.798 50 10 JKGE COc1cc(/C=C(/C#N)C(=O)Nc2cc([N+](=O)[O-])ccc2Cl)ccc1OCc1ccccc1Cl 1084048560 QJNYLMCAYMEROC-YVLHZVERSA-N 498.322 6.035 50 10 JKGE COc1cc(C=NNC(=O)c2cccc(Br)c2)ccc1OCc1ccc(C)cc1 1084373323 XKVBKVXXGCCPON-UHFFFAOYSA-N 453.336 5.109 50 10 JKGE Cc1cccnc1NC(=O)c1oc2c(c1C)C(=NNC(=O)c1cccc3ccccc13)CCC2 1772746805 AAQGGBWICCVVMF-UHFFFAOYSA-N 452.514 5.167 50 10 JKGE N#CSc1ccc(NC(=O)Oc2ccc(CNC(=O)Cc3ccc(Cl)cc3)cc2)cc1 1858899381 VMTFVRXZWQBCHG-UHFFFAOYSA-N 451.935 5.383 50 10 JKGE CCCc1nn(Cc2c(F)cccc2Cl)c2c1[C@H](c1ccc(C(C)(C)C)cc1)C(C#N)=C(N)O2 1865682710 WCWBTJLYARIABZ-HSZRJFAPSA-N 478.999 6.192 50 10 JKGE Cc1ccc(C)c(Cn2nc(-c3ccccc3)c3c2OC(N)=C(C#N)[C@H]3c2cn(C)c3ccccc23)c1 1865698729 BKDOXQHJISIWKY-MHZLTWQESA-N 485.591 5.925 50 10 JKGE CCCOc1ccccc1[C@H]1C(C#N)=C(N)Oc2c1c(-c1ccccc1)nn2Cc1cc(C)ccc1C 1865703627 XJBBCMHKUSSATK-MHZLTWQESA-N 490.607 6.222 50 10 JKGE CCCc1nn(-c2ccccc2)c2c1[C@@H](c1ccc(OCc3ccccc3Cl)cc1)C(C#N)=C(N)O2 1865703867 HOJADBUTYBRWMB-SANMLTNESA-N 496.998 6.275 50 10 JKGE N#CC1=C(N)Oc2c(c(-c3ccccc3)nn2Cc2cccc(Cl)c2)[C@@H]1c1cccc([N+](=O)[O-])c1 1865706254 RMKNKQKMYKJJKJ-JOCHJYFZSA-N 483.915 5.378 50 10 JKGE CCOC(=O)c1c(NC(=O)/C(C#N)=C/c2cccc(F)c2)sc(C)c1-c1ccc(Cl)cc1 1866131533 ZMMAWFSBMMXKPB-GZTJUZNOSA-N 468.937 6.238 50 10 JKGE CC(C)[C@@H](C(=O)NC(C)(C)C(=O)Nc1ccc(SC#N)cc1)c1ccc(Cl)c(Cl)c1 1866989380 PZEHGCQYKDXDIW-LJQANCHMSA-N 464.418 5.840 50 10 JKGE CCc1nc(Nc2ccc(SC#N)cc2)cc(N2CCN3CCc4c(Cl)cccc4[C@@H]3C2)n1 1868277566 BCFQWWBLTPISQI-QFIPXVFZSA-N 477.037 5.429 50 10 JKGE CCc1nc(Nc2ccc(SC#N)cc2)cc(N2CCO[C@@H](c3ccc(Cl)cc3)C2)n1 1868278242 XGLMPZGMRVXUOT-HXUWFJFHSA-N 451.983 5.587 50 10 JKGE CCc1ccc(-c2csc(/C(C#N)=C(\O)c3ccc4c(c3)C(=O)N([C@@H](C)CC)C4=O)n2)cc1 1872744059 FWXFPMVQTLNCDY-MBSKJGAKSA-N 457.555 5.717 50 10 JKGE COc1ccc(-c2csc(/C(C#N)=C(O)/C=C/c3ccc(OC(C)=O)c(OC)c3)n2)c(OC)c1 1872755198 CMKKAJOFEZSQNY-ISOHXRNISA-N 478.526 5.267 50 10 JKGE COc1cccc(-c2csc(/C(C#N)=C/c3ccc(OC(=O)c4ccccc4)c(OC)c3)n2)c1 1872781376 BZIXNUPIPDIQKR-FYJGNVAPSA-N 468.534 6.111 50 10 JKGE COc1ccc(Cl)cc1-c1csc(/C(C#N)=C/c2ccc(OCc3ccc(C)cc3)cc2)n1 1872795337 ZTDUHQWQHBDOCJ-FYJGNVAPSA-N 472.997 7.424 50 10 JKGE CCC[C@H](Br)CCCc1ccc(I)c(Br)c1 1904329353 JOPYGNLQGOFCPK-NSHDSACASA-N 459.991 5.940 50 10 JKGE C[C@@H](Cl)c1nc2c(Br)cc(F)cc2n1C[C@H]1CCN(Cc2ccccc2)C1 1912662712 BMEFNVACWHQRRV-ZBFHGGJFSA-N 450.783 5.760 50 10 JKGE BrCC1(N(Cc2ccccc2)Cc2cc(Br)cc3c2OCC3)CCC1 1915740043 BVCXSELBNCBDCD-UHFFFAOYSA-N 465.229 5.704 50 10 JKGE Brc1cc(Br)c([C@H](Br)[C@@H]2[C@@H]3CCc4ccccc4[C@H]32)s1 1922955306 YEBSOONIHVBTRY-JUDXGUMMSA-N 477.059 6.685 50 10 JKGE C[C@H](C1CCCC1)[C@@H](Br)c1c(Br)sc(Br)c1Cl 1923876542 GCUHKMLUWIZCJE-HZGVNTEJSA-N 465.476 7.189 50 10 JKGE CC(C)[C@@H]1C[C@@H]1[C@H](Br)c1c(Br)sc(Br)c1Br 1992943850 GMEBJGQAHIKNGS-HAFWLYHUSA-N 495.900 6.764 50 10 JKGE Cc1cc(Br)c(CBr)c(N(CCCN(C)C)Cc2ccccc2)c1 2005453175 TUNANDWTHFLYKX-UHFFFAOYSA-N 454.250 5.611 50 10 JKGE CCc1sc(Br)cc1[C@H](Br)Cc1ccc(Br)cc1 2030223550 UPRQSMSYWWLNBV-GFCCVEGCSA-N 453.037 6.514 50 10 JKGE Clc1c(Br)sc(Br)c1[C@H](Br)C[C@@H]1CCC12CCC2 2047937815 ANNCLZSBZYWYLF-JGVFFNPUSA-N 477.487 7.333 50 10 JKGE Cc1ccccc1COc1ccc(C=C(C#N)C(=O)Nc2ccccc2I)cc1 2053623087 DMQSFFOYVTUZBF-UHFFFAOYSA-N 494.332 5.724 50 10 JKGE Cl[C@H](C[C@@H]1CCC[C@@H]2C[C@H]12)c1c(Br)sc(Br)c1Br 2057346069 MANJNMNHAPHPQW-RYPBNFRJSA-N 477.487 7.142 50 10 JKGE Cl[C@H](C[C@@H]1CCC[C@H]2C[C@@H]21)c1c(Br)sc(Br)c1Br 2057346070 MANJNMNHAPHPQW-XSPKLOCKSA-N 477.487 7.142 50 10 JKGE Cl[C@H](c1c(Br)sc(Br)c1Br)[C@@H]1C[C@@H]2CC[C@H](C1)O2 2061008233 LOHKSIXKDNFZEA-XIVUIJJLSA-N 479.459 6.273 50 10 JKGE Cc1cc([C@@H](Cl)c2ccc(Br)cc2Br)ccc1Br 2083329402 CTDLXKVNSQUSFA-CQSZACIVSA-N 453.399 6.611 50 10 JKGE Cc1c(Br)ccc([C@H](Br)CC(F)(F)C(F)F)c1Br 2083338530 NNENOSOLZDQOKK-MRVPVSSYSA-N 456.897 6.247 50 10 JKGE CCc1cc(Br)c([C@@H](Br)Cc2ccc(Br)cc2F)s1 2089709595 NXSIQZBSPNRPJZ-NSHDSACASA-N 471.027 6.653 50 10 JKGE Brc1cccc(Br)c1CN1C[C@H]2[C@H](Br)CCC[C@H]2C1 2094580053 FWKSJENXAZFIOL-DMDPSCGWSA-N 452.028 5.207 50 10 JKGE O=C(c1cc(Br)sc1Br)N1CC2(CBr)CCC1CC2 2122356906 YLICIMAVESXALP-UHFFFAOYSA-N 472.040 5.053 50 10 JKGE CC(C)(C)[C@@H]1[C@@H](Br)CCN1Cc1c(Br)cccc1Br 2128674032 BVXWJYCOWCRCEK-KBPBESRZSA-N 454.044 5.596 50 10 JKGE CCc1ccc([C@@H](Br)c2c(C)c(Br)cc(C)c2Br)s1 2136379627 MLKVRFVFUMLHIO-OAHLLOKOSA-N 467.064 6.937 50 10 JKGE C[C@H]1Cc2cc([C@@H](Br)c3cccc(Br)c3)cc(Br)c2O1 2146629077 QDKNEPRKHNAFFP-VFZGTOFNSA-N 460.991 6.019 50 10 JKGE Fc1cc([C@H](Br)c2c(Br)cccc2Br)c(F)c(F)c1F 2150496333 UPVROJIWJPOZFU-JTQLQIEISA-N 476.887 6.252 50 10 JKGE Fc1cc(Cl)c(Br)cc1[C@@H](Br)c1c(F)cc(Br)cc1F 2154120691 HYDJRJHAPLXNFG-CYBMUJFWSA-N 493.342 6.767 50 10 JKGE O=C(c1cc(Br)c(Br)s1)N1CCC[C@]2(CBr)CCC[C@@H]12 2165295173 XNSKVRSJJZDNFQ-RISCZKNCSA-N 486.067 5.443 50 10 JKGE O=C(c1cc(Br)c(Br)s1)N1C[C@@]2(F)CCC[C@@]2(CBr)C1 2176629667 FPKQFXKWZZKFRR-OLZOCXBDSA-N 490.030 5.002 50 10 JKGE F[C@@]12CCC[C@]1(CBr)CN(Cc1cc(Cl)ccc1I)C2 2176641778 VTAFNSSBPKNSJU-LSDHHAIUSA-N 472.567 5.034 50 10 JKGE COC[C@H]1CC[C@H](COc2c(Br)cc(Br)cc2CBr)C1 2181919810 DJCXRLUVBQWCGV-QWRGUYRKSA-N 471.027 5.548 50 10 JKGE Br[C@@H](c1csc(I)c1)c1c2c(cc3c1CCC3)CCC2 2193145963 VBJFIBQCNCGFEL-KRWDZBQOSA-N 459.190 5.814 50 10 JKGE FC(F)[C@@H]1CN(Cc2ccccc2)C[C@@H]1n1c(CCl)nc2c(Br)cccc21 2193245632 QYGCCQMRFGSLQY-PBHICJAKSA-N 454.746 5.476 50 10 JKGE Cc1cc(Br)ccc1[C@@H](Br)c1c(Br)cc(F)c(Cl)c1F 2201620190 YTBCOAWUZGQDSP-GFCCVEGCSA-N 489.379 6.936 50 10 JKGE COc1cc(F)c([C@@H](Br)c2ccc(Br)c(F)c2)cc1Br 2202904771 WRIBNNMZBVTMSJ-AWEZNQCLSA-N 470.933 5.983 50 10 JKGE COc1c(C)cc(Br)cc1[C@H](Br)c1ccc(Br)c(Cl)c1 2206569265 OJCCEQIVKQLKFQ-CQSZACIVSA-N 483.425 6.666 50 10 JKGE COc1cc(F)c([C@H](Cl)c2ccc(I)c(C)c2)cc1Br 2207111774 SFTYPVRKDHQRQE-OAHLLOKOSA-N 469.519 5.838 50 10 JKGE Clc1c(Br)sc(Br)c1[C@H](Br)[C@@H]1OC[C@H]2CCC[C@@H]21 2218093434 WRLVLMBWSAOLFV-LIZYTCAWSA-N 479.459 6.178 50 10 JKGE Cc1sc(Br)c(C)c1[C@@H](Cl)c1cccc(F)c1I 2218809683 YPTRFVRTSYPLLY-NSHDSACASA-N 459.549 6.199 50 10 JKGE Clc1cc(Cl)cc(C[C@@H](Br)c2scc(Br)c2Br)c1 2223996150 KLUAQKRFBWIBAS-SECBINFHSA-N 493.873 7.259 50 10 JKGE C[C@H](Cl)c1nc2cc(Br)c(Br)cc2n1CC1(Br)CC1 2225695150 CYAMYVJYPXWSCI-ZETCQYMHSA-N 471.418 5.789 50 10 JKGE COc1cc(Br)c(C)cc1[C@H](Br)c1scc(Br)c1C 2226119978 AURRBFHFSPYNEO-ZDUSSCGKSA-N 469.036 6.383 50 10 JKGE CC1(C)CO[C@H](C[C@@H](Br)c2c(Br)cc(Cl)c(Cl)c2Cl)C1 2232520295 NUQJWAOSVVTMJU-HTQZYQBOSA-N 465.440 7.051 50 10 JKGE CC(C)(C[C@H](Br)c1c(Br)cc(Cl)c(Cl)c1Cl)C(F)(F)F 2232530765 VCIBJUCJZFIJSN-LURJTMIESA-N 477.373 7.824 50 10 JKGE ClCc1nc2cc(Br)c(Br)cc2n1Cc1cscc1Br 2234065958 JKFVWEZZXDKVNA-UHFFFAOYSA-N 499.453 6.172 50 10 JKGE COc1cc(Br)c([C@@H](Br)c2scc(Br)c2C)cc1OC 2234518494 WIISMLRCRGZUIA-CYBMUJFWSA-N 485.035 6.083 50 10 JKGE Cc1cc(Br)c([C@H](Br)[C@@H]2CCC[C@H]2C(C)C)c(C)c1Br 2235605416 RPXVHRZPMIBPFX-OGHNNQOOSA-N 467.083 7.337 50 10 JKGE Cc1cc(Br)c([C@@H](Br)C2CCS(=O)(=O)CC2)c(C)c1Br 2235613821 BIFQBFITNRKJOQ-AWEZNQCLSA-N 489.067 5.089 50 10 JKGE O=C(c1cc(Br)sc1Br)N1C[C@@H]2CCCC[C@]2(CBr)C1 2239154375 ATWCZKHBEHZEBT-XPTSAGLGSA-N 486.067 5.300 50 10 JKGE Fc1cccc(Br)c1COc1cc(Br)ccc1CBr 2273849185 JLKAQGQKMPFBJG-UHFFFAOYSA-N 452.943 5.825 50 10 JKGE Brc1cc(Br)cc(C[C@@H](Br)[C@@H]2[C@H]3CCCCC[C@H]32)c1 2277953186 ONIIEGCJBIUHHG-QXSJWSMHSA-N 451.040 6.344 50 10 JKGE Cc1ccc(F)cc1[C@@H](Br)Cc1cc(Br)cc(Br)c1 2277961506 VECQETJKRLJMIC-HNNXBMFYSA-N 450.971 6.338 50 10 JKGE CCn1cc(Br)c([C@H](Br)c2c(Br)cc(C)c(F)c2C)n1 2279155656 MCCBUTSUPRKXGI-GFCCVEGCSA-N 468.990 5.668 50 10 JKGE COc1c([C@@H](Br)c2cc(I)cc3c2OCC3)csc1Cl 2284306724 XKUSJUFJLQJELB-NSHDSACASA-N 485.568 5.434 50 10 JKGE C=CCOc1ccc(Br)cc1C=C(C#N)C(=O)Nc1ncc(Cc2ccc(F)cc2)s1 2293038529 JCYLQXNIWXJJTK-UHFFFAOYSA-N 498.377 5.746 50 10 JKGE Cc1ccc(Cl)cc1NC=C(C#N)c1nc(-c2cc3cc(Br)ccc3oc2=O)cs1 2296800797 WOGNYTPJEFNTHF-UHFFFAOYSA-N 498.789 6.617 50 10 JKGE CCOC(=O)c1c(NC=C(C#N)c2nc(-c3ccc4ccccc4c3)cs2)sc(C(C)=O)c1C 2297467016 JIDPUHAATDKLLP-UHFFFAOYSA-N 487.606 6.689 50 10 JKGE C[C@@H]1OCCO[C@@H]1[C@H](Br)c1ccc(OCc2ccccc2)cc1Br 2299503045 BSILOERGKVBBCX-BKTGTZMESA-N 456.174 5.268 50 10 JKGE Cc1nc(Br)c([C@@H](Cl)c2cc(Br)sc2Br)n1C 2300267510 KYVKGFVKYBOIHS-ZETCQYMHSA-N 463.420 5.406 50 10 JKGE CC1(C)C[C@@H](Br)[C@@H](Cc2ccc(I)c(Br)c2)C1 2306199959 RTDDKEAXQIFDHL-CMPLNLGQSA-N 472.002 5.796 50 10 JKGE CCOc1cc(C=C(C#N)C(=O)Nc2ccc(C)cc2)cc(Cl)c1OCc1ccccc1C#N 2313567057 CATRQTSRQGJTDN-UHFFFAOYSA-N 471.944 6.043 50 10 JKGE Cc1c(Cl)cccc1NC(=O)CCC(=O)NN=C(C=Cc1ccccc1)C=Cc1ccccc1 2313585826 XNJRZIKVQMMOBB-UHFFFAOYSA-N 471.988 6.266 50 10 JKGE Cc1ccc(C(C)C)c(Oc2nc3ccccn3c(=O)c2C=C(C#N)c2nc3ccccc3s2)c1 2314436792 FTYLTMHQJAQLMK-UHFFFAOYSA-N 478.577 6.593 50 10 JKGE Brc1cc(OCc2ccccc2)ccc1[C@H](Br)[C@H]1[C@H]2CCCCC[C@H]21 2314438988 DEXJZOXCZBBYLW-UDKICSLYSA-N 464.241 7.290 50 10 JKGE N#CC(=Cc1ccc(-c2ccc([N+](=O)[O-])cc2Cl)o1)C(=O)Nc1ccc(Cl)c(C(F)(F)F)c1 2314486900 FRROHLVWJCOJPI-UHFFFAOYSA-N 496.228 6.726 50 10 JKGE Fc1c(Br)cc(Cl)c([C@H](Br)[C@@H]2CCCOC2)c1Br 2315457371 BRWAPIQULVNWEF-LHLIQPBNSA-N 465.382 5.867 50 10 JKGE CCCc1sc(Br)cc1[C@H](Cl)c1cc(Br)sc1Br 2316173061 UKQOAQBGASYXCO-NSHDSACASA-N 493.511 7.378 50 10 JKGE C[C@@H]1C[C@H]2C[C@]([C@@H](Cl)c3c(Br)sc(Br)c3Br)(C2)O1 2319926243 NSCKYNPKKUYSGI-XGSYFURPSA-N 479.459 6.273 50 10 JKGE COc1cc(C=C(C#N)c2cccc(Cl)c2)ccc1OC(=O)CCN1C(=O)c2ccccc2C1=O 2320506878 UBIQQPFGBGAGLS-UHFFFAOYSA-N 486.911 5.004 50 10 JKGE C[C@@H]1CN(Cc2ccc(I)c(Br)c2)[C@H](C)C[C@@H]1Br 2325208137 UFLPHDPPNBNWSO-FOGDFJRCSA-N 487.017 5.048 50 10 JKGE COc1cccc(C=CC(=O)Nc2cccc3c(OC(=O)Nc4ccc(SC#N)cc4)cccc23)c1 2327393872 AHPSJXJKFBDVSJ-UHFFFAOYSA-N 495.560 6.684 50 10 JKGE COc1ccc(OCC(O)=C(C#N)c2nc(-c3ccc4ccccc4c3)cs2)c(C(C)(C)C)c1 2331238777 VECVWHSXMLJWDR-UHFFFAOYSA-N 470.594 7.141 50 10 JKGE CCOC(=O)Oc1ccc(C(O)=C(C#N)c2nc(-c3ccc4c(c3)OCCO4)cs2)cc1 2331330120 YNCDUPRYDPQKGY-UHFFFAOYSA-N 450.472 5.066 50 10 JKGE COc1c(Cl)cc(Cl)cc1-c1csc(C(C#N)=C(O)c2ccc(Cl)cc2[N+](=O)[O-])n1 2331364202 RBUKAHLYILIKSH-UHFFFAOYSA-N 482.732 6.637 50 10 JKGE COc1ccc(-c2csc(C(C#N)=C(O)Cc3ccc(Cl)c(Cl)c3)n2)cc1Cl 2331397980 PXFAKYXCOMZRJU-UHFFFAOYSA-N 451.762 6.814 50 10 JKGE CC(C)N1C(=O)c2ccc(C(O)=C(C#N)c3nc(-c4ccc(Cl)s4)cs3)cc2C1=O 2331400626 CQYMDWODJPIGGR-UHFFFAOYSA-N 455.948 5.479 50 10 JKGE CCCOc1ccc(-c2csc(C(C#N)=Cc3cccc(Br)c3)n2)cc1OCCC 2331437708 FBQNUTVWEMNJCS-UHFFFAOYSA-N 483.431 7.214 50 10 JKGE CCCN(CCC)C(=O)COc1ccc(C=C(C#N)c2nc(-c3cccs3)cs2)cc1OC 2331450900 PURQQGGGWHUSSC-UHFFFAOYSA-N 481.643 5.972 50 10 JKGE CO[C@@H]1C[C@@]2([C@H](Br)c3c(F)cc(Br)c(F)c3Br)C[C@@H]12 2334739364 CHYUMLDRNFFZJR-UZBVEPSZSA-N 460.938 5.351 50 10 JKGE COc1c(Br)cc(C)c([C@@H](Br)C2CC(C)(F)C2)c1Br 2339677231 ZQEGGXCLUMKXMI-PGMTZQPISA-N 458.991 6.103 50 10 JKGE Fc1ccc([C@H](Br)CCc2cc(I)ccc2Cl)cc1 2352416409 UWVKRWRURSIGDA-CQSZACIVSA-N 453.520 6.153 50 10 JKGE CC(C)(C)C1CCC([C@@H](Br)c2cc(Br)ccc2OCc2ccccc2)CC1 2361178338 NIASKJSOHIEJOW-MTNXOHHFSA-N 494.311 8.317 50 10 JKGE CCN(C[C@](C)(CBr)OCCCCC(F)(F)C(F)(F)F)C(=O)OC(C)(C)C 2362736035 FAIWEHQABIEEOJ-HNNXBMFYSA-N 470.317 5.782 50 10 JKGE CC12CC(C1)[C@@H]([C@@H](Br)c1c(Br)cc(Cl)c(Cl)c1Cl)CO2 2362899808 GCUXBBSXSCQENO-AAGZOSRKSA-N 463.424 6.660 50 10 JKGE Fc1ccc([C@@H](Br)c2sc(Cl)cc2I)cc1C(F)(F)F 2364124057 YSGFNSPEMIDAHE-SNVBAGLBSA-N 499.492 6.648 50 10 JKGE Cc1cccc(C)c1[C@@H](Br)c1c(C)cc(Br)c(F)c1Br 2365180944 UHWWYZWGLRGWKK-CQSZACIVSA-N 464.998 6.760 50 10 JKGE Cc1cc(Br)c(F)c(Br)c1[C@H](Br)c1ccc(F)c(F)c1 2365214791 DSZPHDOFKKSELQ-GFCCVEGCSA-N 472.924 6.422 50 10 JKGE CC(C)O[C@H]1CCC[C@H]1Oc1c(Br)cc(Br)cc1CBr 2370920694 AOFDDWIODDVNTO-UONOGXRCSA-N 471.027 5.831 50 10 JKGE Cc1ccc(CBr)c(OCc2cccc(Br)c2C)c1Br 2380661983 NMOPKIFXUDRJQM-UHFFFAOYSA-N 463.007 6.302 50 10 JKGE C[S@@](=O)(=N/C=C(/C#N)C(=O)c1cccs1)c1ccc(OC(=O)c2ccc(Cl)cc2)cc1 12367226 JOYIXMCEYUBVPS-NYBPSDHSSA-N 470.959 5.368 50 10 JKGE CC(C)[C@@H](Br)C(=O)Nc1c(Br)cc(Br)cc1Br 20504568 PDYOYKZJNQWBJV-SECBINFHSA-N 492.831 5.332 50 10 JKGE COc1cc(/C=C(/C#N)c2nc3ccccc3[nH]2)cc(Br)c1OCc1ccc(F)cc1 33436785 VQXIIUGYEHQVIL-YVLHZVERSA-N 478.321 6.116 50 10 JKGE C[C@H](c1ccccc1)N(Cc1cc(NC(=O)CCCCl)ccc1N(C)C)C(=O)C(C)(C)C 34921570 IYFHPXRDPLQXLZ-LJQANCHMSA-N 458.046 5.846 50 10 JKGE CC(C)(C)c1ccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4ccc(Cl)cc4)ccc32)cc1 38649703 VIJCXUNOJXZFPI-XMMPIXPASA-N 458.945 6.075 50 10 JKGE Cc1cccc(C)c1OCC(=O)Oc1ccc2c(c1)OC(N)=C(C#N)[C@H]2c1ccccc1Cl 38651030 QWIYSNIQMAEURH-DEOSSOPVSA-N 460.917 5.159 50 10 JKGE CCCCOc1ccccc1[C@H]1C(C#N)=C(N)Oc2cc(OC(=O)c3ccc(Cl)cc3)ccc21 38682682 ZFEYRWSPBAOWSU-RUZDIDTESA-N 474.944 5.956 50 10 JKGE CCCCOc1cccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4ccccc4Cl)ccc32)c1 38685063 ZDKBCWPAOMTVEG-VWLOTQADSA-N 474.944 5.956 50 10 JKGE Cc1ccc(C)c(NC(=S)NNC(=O)c2ccc(-c3ccc(Cl)c(C(F)(F)F)c3)o2)c1 39892568 NLQYGJMPXICGQL-UHFFFAOYSA-N 467.900 5.867 50 10 JKGE CCOc1cc(/C=C(/C#N)C(=O)Nc2ccc(C)cc2)cc(Cl)c1OCc1cccc(C)c1 59335575 WRLHJCZGVBWHEF-XKZIYDEJSA-N 460.961 6.480 50 10 JKGE Cc1ccc(NC(=O)/C(C#N)=C\c2cc(Cl)cc(Cl)c2OCCOc2cc(C)cc(C)c2)cc1 101423280 SPBMQOWSJSFVFD-BKUYFWCQSA-N 495.406 6.922 50 10 JKGE FC(F)Oc1cccc([C@H](Br)c2cc(Br)sc2Br)c1 109869698 QHAURZQWYWYBFS-JTQLQIEISA-N 476.962 6.359 50 10 JKGE FC(F)(F)COCCC(CBr)(CBr)c1ccccc1Br 118878995 FIFJKRZZKSYNRT-UHFFFAOYSA-N 482.960 5.446 50 10 JKGE COc1cccc(OC)c1[C@@H](Br)c1cc(Br)c(Br)s1 128258513 OILNLWBOZRZHFX-LBPRGKRZSA-N 471.008 5.775 50 10 JKGE Cc1cc(Br)cc(CBr)c1OCc1ccc(Br)cc1F 167024151 XZKJVZMXADFCBP-UHFFFAOYSA-N 466.970 6.133 50 10 JKGE CCCCOc1cc(/C=C(/C#N)C(=O)Nc2sc3c(c2C(=O)OC)CCCC3)ccc1OC 209405048 CYMIBFJIUOFIJN-LGMDPLHJSA-N 468.575 5.147 50 10 JKGE Cc1cc(Br)c([C@@H](Br)[C@@H]2CCCCC2(C)C)cc1Br 226684387 JRGKSPDEKJQTJN-SWLSCSKDSA-N 453.056 7.172 50 10 JKGE BrC[C@@H](Cc1cc(Br)cc2c1OCC2)c1ccc(Br)cc1 228556106 QENCZABSBQPZJH-CQSZACIVSA-N 475.018 5.868 50 10 JKGE C[C@@H]1CC[C@H](CC(CBr)(CBr)c2ccc(Br)cc2)O1 232063443 OYFHHGYKTLBYHG-BXUZGUMPSA-N 455.028 5.434 50 10 JKGE COc1ccc(Br)cc1[C@H](Br)c1ccc(F)c(Br)c1 234814640 KAJGKHOFXGQUIG-CQSZACIVSA-N 452.943 5.844 50 10 JKGE CCCOc1ccc(C=NNC(=O)CSc2nc3ccccc3n2Cc2ccccc2)cc1 254372458 YIRBRRXAMFJTLU-UHFFFAOYSA-N 458.587 5.116 50 10 JKGE CC(=O)c1cccc(-c2ccc(C=NNC(=O)NN=Cc3ccc(-c4cccc(C(C)=O)c4)o3)o2)c1 254525109 BNBADTOSDLPYFD-UHFFFAOYSA-N 482.496 5.279 50 10 JKGE ClCc1nc2cc(I)ccc2n1C[C@H]1CCCN(Cc2ccccc2)C1 311787275 LRIDVAQAXHCADL-KRWDZBQOSA-N 479.793 5.292 50 10 JKGE Clc1ccc([C@@H](Br)c2cc(I)cc3c2OCC3)c(Cl)c1 312243624 ATUSKJAGGFYPEE-CQSZACIVSA-N 483.958 6.017 50 10 JKGE Clc1ccc([C@H](Br)c2cc(I)cc3c2OCC3)cc1Cl 312338560 KHVSMBGQBHFMRE-AWEZNQCLSA-N 483.958 6.017 50 10 JKGE Clc1cc2c(cc1[C@@H](Br)c1sccc1I)OCCCO2 381031556 XLAIXMHWVKJTDX-CYBMUJFWSA-N 485.568 5.652 50 10 JKGE FC(F)c1ccc2c(c1)nc(CCCl)n2CCCN(Cc1ccccc1)Cc1ccccc1 390574068 NZQSGAKTERAQRT-UHFFFAOYSA-N 467.991 6.848 50 10 JKGE CC(C)[C@@H](C)/C=C/[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 504636519 UIBBRXVBQYADRW-UEVVCILOSA-N 477.571 8.072 50 10 JKGE CC(C)(C)[Si](C)(C)OCCN1CCOCC[C@@H]1c1ccccc1CO[Si](C)(C)C(C)(C)C 616597554 BCFMETSXPRHGBC-XMMPIXPASA-N 479.854 6.994 50 10 JKGE CC(C)(C)[Si](C)(C)OCCN1CCNC[C@H]1c1ccccc1CO[Si](C)(C)C(C)(C)C 616605195 WCGXBELCUWLKKX-QHCPKHFHSA-N 464.843 6.177 50 10 JKGE Fc1ccc([C@H](Br)c2cc(Br)ccc2Cl)c(F)c1Br 691638770 ZZGBGIYNERAUFR-NSHDSACASA-N 475.352 6.628 50 10 JKGE Clc1ccc(Cl)c([C@@H](Cl)c2ccc(I)c(Br)c2)c1 721590855 AOZBZGZOOJYEOV-ZDUSSCGKSA-N 476.366 6.689 50 10 JKGE COc1cc(C=NNC(=O)[C@@H](C)c2ccc(CC(C)C)cc2)ccc1OCc1ccc(C(=O)O)cc1 1083900075 SPIILWKYFOQCCT-FQEVSTJZSA-N 488.584 5.425 50 10 JKGE COc1cc(/C=C(/C#N)C(=O)NCc2cccs2)ccc1OCc1ccc(Cl)c(Cl)c1 1084285218 GFBDXWNUIRFYLI-MFOYZWKCSA-N 473.381 5.866 50 10 JKGE COc1cc(C=NNC(=O)c2cccc(C(F)(F)F)c2)ccc1OCc1ccc(Cl)cc1 1084534126 FSWUQJWNXCFXQD-UHFFFAOYSA-N 462.855 5.710 50 10 JKGE ClCc1cc(-c2cccc(I)c2)nn1-c1cccc(Br)c1 1614821189 VWHIHAWCTQYCMM-UHFFFAOYSA-N 473.539 5.645 50 10 JKGE CCc1ccc(NC(=O)c2oc3c(c2C)C(=NNC(=O)c2ccc(Cl)cc2Cl)CCC3)cc1 1772747303 FXRYVLQYUMEAIM-UHFFFAOYSA-N 484.383 6.180 50 10 JKGE Cc1c(C(=O)N2CCC(C)CC2)oc2c1C(=NNC(=O)COc1ccc(Cl)cc1Cl)CCC2 1772750213 XGOXODMAGMQERV-UHFFFAOYSA-N 492.403 5.003 50 10 JKGE O=C(NNC(=O)c1ccc(-c2ccc3ccccc3c2)s1)c1ccc(OCc2ccccc2)cc1 1860391353 BTNIKHZWDICHCD-UHFFFAOYSA-N 478.573 6.222 50 10 JKGE N#CC1=C(N)Oc2c(c(C(F)(F)F)nn2Cc2cccc(Cl)c2)[C@@H]1c1c(Cl)cccc1Cl 1865685452 IXILCQISEMVWGN-HNNXBMFYSA-N 499.707 6.129 50 10 JKGE COc1cc([C@@H]2C(C#N)=C(N)Oc3c2c(-c2ccccc2)nn3Cc2cc(C)ccc2C)ccc1O 1865706088 NGHBQIBOKVNPIE-RUZDIDTESA-N 478.552 5.148 50 10 JKGE CCC[C@H](NC(=O)C[C@@H](c1ccc(OC)c(C)c1)C(C)C)C(=O)Nc1ccc(SC#N)cc1 1866773962 DBMUUNWOMSRVOF-PKTZIBPZSA-N 467.635 5.630 50 10 JKGE Cc1ccc([C@@H](C(=O)N[C@H](Cc2ccc(F)cc2)C(=O)Nc2ccc(SC#N)cc2)C(C)C)cc1 1866951736 VSXLFHMHKLNRRU-FTJBHMTQSA-N 489.616 5.813 50 10 JKGE CCCC[C@H](NC(=O)CCC(=O)c1ccc(C)cc1C)C(=O)Nc1ccc(SC#N)cc1 1867091786 OOMBGMLVDSGVDR-QFIPXVFZSA-N 451.592 5.153 50 10 JKGE CCc1nc(Nc2ccc(SC#N)cc2)cc(N2CCc3ccc(OC)cc3[C@@H]2c2ccccc2)n1 1868277792 IHTMVFWTFHCZDL-LJAQVGFWSA-N 493.636 6.516 50 10 JKGE CCCCCCCCCOc1ccc(/C=C(\C#N)c2nc3ccccc3[nH]2)cc1Br 1872726990 XQAXTHWVVRLGNW-CAPFRKAQSA-N 466.423 7.519 50 10 JKGE N#C/C(=C(/O)c1ccc(Cl)cc1[N+](=O)[O-])c1nc(-c2ccc(Cl)cc2Cl)cs1 1872744614 ADITYEVOPIXVTB-LGMDPLHJSA-N 452.706 6.628 50 10 JKGE Cc1cc(C)c(C)c(-c2csc(/C(C#N)=C(\O)CCCCCNC(=O)c3ccccc3)n2)c1C 1872754162 GCXVUSGAPLEYEY-BZZOAKBMSA-N 473.642 6.827 50 10 JKGE N#C/C(=C\c1ccc(OCc2ccc(Cl)cc2Cl)cc1)c1nc(-c2ccc(F)cc2F)cs1 1872784755 ZUMZZCAJVLKIRI-RQZCQDPDSA-N 499.369 8.038 50 10 JKGE CC[C@H](C)[C@@H](/C(O)=C(\C#N)c1nc(-c2ccc(F)c(C)c2)cs1)N1C(=O)c2ccccc2C1=O 1873920433 FLHIKQVVQDFZRW-XXYCHUHASA-N 475.545 5.761 50 10 JKGE N#C/C(=C(/O)c1ccc(N2CCCC2)c([N+](=O)[O-])c1)c1nc(-c2ccc(-c3ccccc3)cc2)cs1 1873940773 GSZDXCDRYVJIGD-VYIQYICTSA-N 494.576 6.935 50 10 JKGE Fc1ccsc1[C@@H](Br)c1ccc(OCc2ccccc2)cc1Br 1899881040 CYEFUQBYLYCZNT-KRWDZBQOSA-N 456.174 6.713 50 10 JKGE Cc1cc(Br)sc1[C@@H](Br)c1cc(I)sn1 1909863294 HOZRISTTYASPHA-QMMMGPOBSA-N 479.000 5.364 50 10 JKGE C[C@H]([C@@H]1CCN(Cc2ccccc2)C1)n1c(CCl)nc2c(Br)cc(F)cc21 1912668789 IGROMTDNFQKVEC-GDBMZVCRSA-N 450.783 5.760 50 10 JKGE CC[C@@H](Br)CN(Cc1ccccc1)C(=O)c1ccc(Cl)cc1Br 1915079353 AZVHRASOMZLVSZ-CQSZACIVSA-N 459.609 5.918 50 10 JKGE Brc1cc(Br)c([C@H](Br)C(C2CCC2)C2CCC2)s1 1922946041 MYAGBOIUMORZHE-CYBMUJFWSA-N 457.069 6.926 50 10 JKGE CC(C)(C)c1ccccc1[C@@H](Br)c1sc(Br)cc1Br 1922954263 MHJXYPXHWIJFLB-CYBMUJFWSA-N 467.064 7.055 50 10 JKGE Cl[C@H](c1c(Br)sc(Br)c1Br)[C@@H]1CC[C@H]2C[C@@H]2C1 1924605366 PZPUOCMOBXXHGB-DHCFDGJBSA-N 463.460 6.752 50 10 JKGE CC1(C)C[C@]1(C)[C@H](Cl)c1c(Br)sc(Br)c1Br 1924611556 CBNSERQUZQXEIH-RDDDGLTNSA-N 451.449 6.752 50 10 JKGE BrCc1cc(Br)ccc1N(Cc1ccccc1)CC1CCOCC1 1946744184 JSOVZZJIKZQMSW-UHFFFAOYSA-N 453.218 5.777 50 10 JKGE Cc1cc(Br)c(CBr)c(N(C)C2CC(OCc3ccccc3)C2)c1 2005454000 AMAOLTPHNCNWAJ-UHFFFAOYSA-N 453.218 5.836 50 10 JKGE FC1(F)CCC([C@@H](Br)c2cc(Br)sc2Br)CC1 2008372978 KNPQZBVDPTYXGO-SECBINFHSA-N 452.984 6.535 50 10 JKGE C[C@H](N(Cc1ccccc1)S(=O)(=O)c1cc(CCl)sc1Br)C(C)(C)C 2034778770 QXRVPAICWMNLLI-ZDUSSCGKSA-N 464.878 5.875 50 10 JKGE Brc1cc([C@@H](Br)[C@@H]2CC3(CCCC3)CO2)c(Br)s1 2047505511 HJPVEGLDIJCTDF-GXSJLCMTSA-N 459.041 6.058 50 10 JKGE CCc1nc([C@@H](Br)c2cc(Br)sc2CC)c(Br)s1 2050331033 JVPQOKZTHDAFDQ-JTQLQIEISA-N 474.081 6.339 50 10 JKGE CC(C)(C)OC(=O)N1CC[C@@]2(CC[C@](C)(CI)O2)CC12CCCCC2 2074144078 GTCLLAVNKSKDNB-QUCCMNQESA-N 463.400 5.463 50 10 JKGE Cc1c(Br)ccc([C@@H](Br)CCCC(F)(F)F)c1Br 2083317466 GQMNNSRQQVVNLU-JTQLQIEISA-N 452.934 6.689 50 10 JKGE Cc1cc(Br)c([C@H](Br)C(C)(C)C2CCCC2)cc1Br 2093192962 MURVFKDJVOUNJM-HNNXBMFYSA-N 453.056 7.172 50 10 JKGE C[C@@H]1C[C@@H](CCOc2c(Br)cc(Br)cc2CBr)CO1 2103051765 UEPHLBVIJYVLKY-NXEZZACHSA-N 457.000 5.300 50 10 JKGE Cc1c(Cl)cc(C(=O)NCCCCCCI)cc1Br 2111091705 KRGUPTBBXQDFPT-UHFFFAOYSA-N 458.565 5.136 50 10 JKGE O=C(c1cc(Br)c(Br)s1)N1C[C@@H](Br)CCC12CCC2 2117903113 LVGPRDJRBGVOKM-QMMMGPOBSA-N 472.040 5.195 50 10 JKGE Brc1ccc(Br)c(CC[C@H](Br)CC2CCCCC2)c1 2118524676 LQBRPPMWTMPYNB-AWEZNQCLSA-N 453.056 6.878 50 10 JKGE Cl[C@H](CCc1cc(Br)ccc1Br)c1ccccc1Br 2118532875 UIYPWYXPNIATST-OAHLLOKOSA-N 467.426 6.887 50 10 JKGE Cc1cc(Br)c(C)c([C@H](Br)[C@H](C)[C@@H]2CCCO2)c1Br 2136369984 MJFROGLCGVPVHM-IFUGULHKSA-N 455.028 6.080 50 10 JKGE COc1cc(Cl)c([C@@H](Cl)c2ccc(I)cc2)cc1Br 2137662748 PDEKONMWSYICFP-AWEZNQCLSA-N 471.947 6.044 50 10 JKGE Fc1cc(Cl)c([C@@H](Br)c2ccc(I)c(Cl)c2)cc1Cl 2139427400 XHTWYDCUZFFPPZ-ZDUSSCGKSA-N 494.356 6.875 50 10 JKGE Fc1cccc([C@H](Br)CCc2ccc(I)c(Cl)c2)c1 2142937059 NMSKIKMVZGHCSW-CYBMUJFWSA-N 453.520 6.153 50 10 JKGE COc1cc(Br)c(C)cc1[C@H](Br)c1cccc(Br)c1F 2145958667 ANOYPBFGFCJCLO-CQSZACIVSA-N 466.970 6.152 50 10 JKGE Cc1cccc(C[C@H](CBr)Cc2ccc(Br)cc2Br)c1 2148681019 HIVJKKFERWXSEY-AWEZNQCLSA-N 461.035 6.316 50 10 JKGE C[C@@H](Br)C[C@@H]1CCCCCN1Cc1c(Br)cccc1Br 2150495589 NJEAFJHANRLUPJ-OLZOCXBDSA-N 468.071 6.130 50 10 JKGE Cc1sc(Br)cc1[C@H](Br)c1cc(Br)c2c(c1)C[C@@H](C)O2 2152048818 ZXRUAZLAYUDCMA-NXSYQRQQSA-N 481.047 6.389 50 10 JKGE C[C@H]1CN(Cc2ccccc2)C[C@@H]1Cn1c(CCl)nc2cc(Br)c(Cl)cc21 2159868040 ZJBIHELHNUXKAJ-GOEBONIOSA-N 467.238 5.959 50 10 JKGE Fc1cc(Br)cc(N2CC[C@@H]3CCN(Cc4ccccc4)C[C@H]3C2)c1CBr 2170690378 CSRLGPMULXFGQY-ROUUACIJSA-N 496.262 5.832 50 10 JKGE CC(C)(C)OC(=O)N1CCC[C@](CI)(OC[C@H]2C[C@H]2C2CCCCCC2)C1 2200762838 UCUBPZUFSKZHHB-XQBPLPMBSA-N 491.454 5.814 50 10 JKGE Cc1c(Br)ccc([C@@H](Br)c2cc3ncccc3s2)c1Br 2203704116 KIKMURYAPFBJMX-OAHLLOKOSA-N 476.031 6.614 50 10 JKGE CCN(C[C@@](C)(CI)OCc1cccc2ccccc12)C(=O)OC(C)(C)C 2205292402 PHRMIAHXPBEPIX-JOCHJYFZSA-N 483.390 5.807 50 10 JKGE COc1c(C)cc(Br)cc1[C@@H](Br)c1cccc(C)c1Br 2206598006 ICTHMKBRHJCYRR-HNNXBMFYSA-N 463.007 6.321 50 10 JKGE Cc1csc([C@@H](Br)c2sc(Br)c(C)c2Br)c1C 2213657558 WZADTLBXOOGEER-SECBINFHSA-N 459.066 6.744 50 10 JKGE Clc1cc(Br)ccc1C[C@H](Br)c1ccc(Br)s1 2215854488 RNKVPJLAPKRLIR-VIFPVBQESA-N 459.428 6.605 50 10 JKGE Cc1cc(Br)c([C@@H](Br)c2cc(C)c(Br)c(C)c2)s1 2220199919 JIQFTSHSAZAZIN-ZDUSSCGKSA-N 453.037 6.683 50 10 JKGE COc1cc(Br)c([C@H](Br)c2cscc2OCc2ccccc2)cc1C 2220442953 AJYQQNNONNUDJT-FQEVSTJZSA-N 482.237 6.891 50 10 JKGE CCOCc1cc(Br)c([C@@H](Br)c2ccc(Br)cc2)s1 2224781179 FLDIBHGLXVGYJS-ZDUSSCGKSA-N 469.036 6.294 50 10 JKGE Fc1cc(Br)c(Br)cc1[C@@H](Br)C(F)(F)C1CCCC1 2225617619 PUPAPWWTVXDWBM-GFCCVEGCSA-N 464.945 6.612 50 10 JKGE CC[C@@H]([C@H](Br)c1c(Br)cc(C)c(Br)c1C)C(C)(F)F 2227351135 JYWFTVYFZRVGOI-ZANVPECISA-N 462.998 6.946 50 10 JKGE Cc1cc(Br)c([C@@H](Cl)c2cc(Br)oc2C)c(C)c1Br 2227353000 DVLQADDQBHSYJF-AWEZNQCLSA-N 471.414 6.821 50 10 JKGE COc1ccc([C@@H](Br)c2cc(Br)c(OC)s2)c(Br)c1 2232076621 MMSXLAWXKHTPSG-GFCCVEGCSA-N 471.008 5.775 50 10 JKGE CCC(F)(F)C(C)(C)[C@H](Br)c1c(Br)cc(Cl)c(Cl)c1Cl 2232516017 FTNVYNUSIUIWPH-LLVKDONJSA-N 473.410 7.917 50 10 JKGE CC1(C)CN(Cc2ccccc2)C[C@@H]1n1c(CCl)nc2c(F)cc(Br)cc21 2232916487 RAKWTNVECFMYCU-SFHVURJKSA-N 450.783 5.760 50 10 JKGE C[C@H]1C[C@H](n2c(CCl)nc3c(F)cc(Br)cc32)CCN1Cc1ccccc1 2232925639 ALUYGLFKDXOGQZ-WMLDXEAASA-N 450.783 5.902 50 10 JKGE CCc1cc([C@H](Cl)c2scc(Br)c2Br)sc1Br 2248014413 LPTPHKHEZJXUIZ-VIFPVBQESA-N 479.484 6.988 50 10 JKGE Fc1cccc(F)c1C[C@@H](Br)c1ccc(Cl)c(I)c1 2268322588 GOMJFNANDSFUOM-SNVBAGLBSA-N 457.483 5.902 50 10 JKGE COc1c(Br)cc(Cl)cc1[C@@H](Br)c1cc2cscc2s1 2279040624 MIRDZGFQMSPLJE-CYBMUJFWSA-N 452.620 6.872 50 10 JKGE Clc1ccc(I)c(CN2C[C@H](Br)C[C@H]3CCCC[C@H]32)c1 2279525491 XAANSFPDGILPSI-AXAPSJFSSA-N 468.604 5.473 50 10 JKGE O=C(NCC[C@H]1CCCC[C@H]1Br)c1ccc(Cl)c(I)c1 2283660936 FDNXIVNMBKYBMO-ZYHUDNBSSA-N 470.576 5.018 50 10 JKGE COc1ccc([C@H](Br)Cc2ccc(Cl)c(Cl)c2)cc1I 2285004966 DEYYPRPKAAJNFH-LLVKDONJSA-N 485.974 6.285 50 10 JKGE C[C@H](Br)CN(CCC(C)(C)C)Cc1ccc(Br)cc1Br 2288150756 ANZWOLMGUDVZFS-LBPRGKRZSA-N 470.087 6.233 50 10 JKGE Fc1cc(Br)c(F)c(Br)c1[C@H](Br)[C@@H]1CC12CCCCC2 2288343805 BWEGXTIEIDCAMH-QPUJVOFHSA-N 472.993 6.896 50 10 JKGE CCC[C@H](CCBr)CNC(=O)Cc1cc(Br)cc(Br)c1 2295308005 RMOJRDDLRPEGJJ-LLVKDONJSA-N 470.043 5.072 50 10 JKGE Brc1cc(Br)cc(C[C@@H](Br)c2cc3c(s2)CCCC3)c1 2295346278 XOXQGEMMDIPIBY-CQSZACIVSA-N 479.075 6.831 50 10 JKGE COC(=O)c1ccc(-n2c(C)cc(C=C(C#N)C(=O)Nc3ccc(SC(F)F)cc3)c2C)cc1 2297398999 JSAWWLWJQOPUBT-UHFFFAOYSA-N 481.524 5.741 50 10 JKGE Fc1c(Br)cc(Cl)c([C@H](Br)[C@H]2C[C@H](F)C2)c1Br 2307224299 DYUKVTKOHKGZHP-UDJQAZALSA-N 453.346 6.188 50 10 JKGE Cc1c(Br)sc([C@H](Br)[C@H]2CC[C@@H]3[C@H]2C3(F)F)c1Br 2308642629 KVXPCXVIFPYANX-VOQBNFLRSA-N 464.995 6.309 50 10 JKGE Cc1cc(C=C(C#N)C(=O)N2CCN(c3ccccc3)CC2)c(C)n1-c1ccc2ccccc2c1 2313545940 QBYSDFNZZNQUEN-UHFFFAOYSA-N 460.581 5.503 50 10 JKGE N#CC(=Cc1cc(Br)c(Sc2ccc(Cl)cc2)o1)c1cccc(C(F)(F)F)c1 2313564981 KBJFXLLRKLIIGL-UHFFFAOYSA-N 484.724 7.930 50 10 JKGE Cc1ccc(COc2c(Br)cc(C=C(C#N)C(=O)N(C)C)cc2Br)cc1 2313568315 ULLQBZBXUDXODA-UHFFFAOYSA-N 478.184 5.094 50 10 JKGE N#CC(=Cc1ccc(OCc2ccccc2Cl)cc1)C(=O)Nc1ccc(Cl)c(Cl)c1 2313631182 LVVWMGKIHMCTPN-UHFFFAOYSA-N 457.744 6.771 50 10 JKGE CCOc1cc(C=C(C#N)C(=O)Nc2ccc(Cl)cc2)ccc1OCc1ccc(F)cc1 2313631366 OYIGXLGCSSBXOV-UHFFFAOYSA-N 450.897 6.002 50 10 JKGE CCOc1cc(C=C(C#N)C(=O)Nc2cccc(Cl)c2)ccc1OCc1cccc(Cl)c1 2313631371 OZLVBJHENIJMAH-UHFFFAOYSA-N 467.352 6.517 50 10 JKGE CCOc1cc(C=C(C#N)C(=O)Nc2cc([N+](=O)[O-])ccc2Cl)cc(Br)c1OCC 2313676859 QKZAFKCYPRUULD-UHFFFAOYSA-N 494.729 5.354 50 10 JKGE COc1cc(C=C(C#N)C(=O)NCc2ccccc2)ccc1OCc1ccc(Cl)cc1Cl 2313681133 MBODKQZOGPETKV-UHFFFAOYSA-N 467.352 5.804 50 10 JKGE N#CC1=C(N)Oc2cc(OC(=O)C=Cc3ccc(Cl)cc3Cl)ccc2[C@@H]1c1cccs1 2314634598 MKHXDNGLXYXJIQ-QFIPXVFZSA-N 469.349 5.892 50 10 JKGE C[C@H](NC(=O)C(C#N)=CN(Cc1ccccc1)Cc1ccccc1)C12CC3CC(CC(C3)C1)C2 2318469687 XQPBRMWMSKEBBF-VMIDKPEFSA-N 453.630 5.817 50 10 JKGE COc1ccc(C(C#N)=Cc2ccc(OC(=O)COc3cc(C)ccc3C)c(OC)c2)cc1OC 2320506897 UHVRSYXHEFKXSC-UHFFFAOYSA-N 473.525 5.378 50 10 JKGE COc1cccc(-c2ccc(C(=O)NNC(=O)C=Cc3ccc(OCc4ccccc4)cc3)c(C)n2)c1 2321126048 AEOXATFRPXXKAY-UHFFFAOYSA-N 493.563 5.119 50 10 JKGE CC(C)CN1C(=O)c2ccc(C(O)=C(C#N)c3nc(-c4ccccc4Cl)cs3)cc2C1=O 2331265802 BTCRWKQDIBJDJF-UHFFFAOYSA-N 463.946 5.665 50 10 JKGE CCCCc1ccc(N2C[C@H](C(O)=C(C#N)c3nc(-c4ccc(C)cc4C)cs3)CC2=O)cc1 2331310732 BXOIELDMEBTPQI-OAQYLSRUSA-N 471.626 6.615 50 10 JKGE CCc1cccc(C)c1N1C[C@@H](C(O)=C(C#N)c2nc(-c3ccc(C(C)C)cc3)cs2)CC1=O 2331340614 JQHDFWWTBDSGPO-QFIPXVFZSA-N 471.626 6.650 50 10 JKGE COc1cc(OC)c(-c2csc(C(C#N)=C(O)C=Cc3ccc4c(c3)OCCO4)n2)cc1Cl 2331378725 VJCXCTFTOGFSAW-UHFFFAOYSA-N 482.945 5.758 50 10 JKGE CCOc1ccc(-c2csc(C(C#N)=C(O)c3cc([N+](=O)[O-])ccc3Cl)n2)c(OCC)c1 2331389194 CUAPGUBJBJTGJL-UHFFFAOYSA-N 471.922 6.119 50 10 JKGE Cc1cc(Br)c([C@H](Br)[C@@H]2C[C@@H]3CC[C@H]2C3)c(C)c1Br 2334326281 XNLXNAGJEJSBHH-AZKPJATDSA-N 451.040 6.701 50 10 JKGE COc1ccc([C@@H](Br)c2ccc(OCc3ccccc3)cc2Br)cc1F 2336083870 NXFQPPFFXGUKKK-OAQYLSRUSA-N 480.171 6.660 50 10 JKGE ClC[C@@H](Cc1ccc(Cl)c(I)c1)c1ccccc1Br 2337222090 WFOBYDMBHDSJQK-LLVKDONJSA-N 469.975 6.272 50 10 JKGE Brc1ccc([C@H](Br)[C@@H]2C[C@H]3CCC[C@H]2CC3)c(Br)c1 2338744369 NHMKFOYSVWKSES-WYURAEBNSA-N 451.040 6.864 50 10 JKGE CCc1cscc1[C@H](Br)c1c(C)cc(Br)c(F)c1Br 2339655227 XVQVIKHTJGIQLC-LBPRGKRZSA-N 471.027 6.767 50 10 JKGE Clc1ccc([C@@H](Br)c2ccc(CC3CC3)s2)c(I)c1 2340065588 VQXMWMMNHAIHSW-OAHLLOKOSA-N 467.597 6.443 50 10 JKGE Brc1cc(CN2CC[C@@H]3C[C@H](Br)CC[C@H]32)ccc1I 2349824772 AIFWTAJWNUYSIE-LALPHHSUSA-N 499.028 5.192 50 10 JKGE BrC[C@@H]1CCC2(CC2)CN1Cc1ccc(I)c(Br)c1 2349843751 YLIPMUIJTSOTIE-LBPRGKRZSA-N 499.028 5.193 50 10 JKGE ClC[C@@H]1C[C@@H]2CC[C@H](C1)N2Cc1ccc(I)c(Br)c1 2349857918 QVIXBYWNJKATSV-CLLJXQQHSA-N 454.577 5.036 50 10 JKGE Cl[C@H]1CCN(Cc2ccc(I)c(Br)c2)C2(CCC2)C1 2349860668 VMEOOYUMHPXLAC-LBPRGKRZSA-N 454.577 5.180 50 10 JKGE Fc1cc([C@@H](Br)c2cc(Br)ccc2Br)c(Cl)cc1Cl 2351640909 GMFJXYKOAUQADF-ZDUSSCGKSA-N 491.807 7.142 50 10 JKGE Clc1ccc(I)cc1C[C@H](CBr)c1ccccc1Cl 2352369737 IBDANJFTUNPORX-LLVKDONJSA-N 469.975 6.319 50 10 JKGE CC1=C(C)C[C@@](CBr)(Cc2cc(I)ccc2Cl)CC1 2352424169 PLAQSBYPUZODOZ-MRXNPFEDSA-N 453.589 6.389 50 10 JKGE C[C@H](C[C@@H]1CCOC1)Oc1c(Br)cc(Br)cc1CBr 2353430234 JTLYFBSMIYYCGK-ZJUUUORDSA-N 457.000 5.300 50 10 JKGE CN(c1cc(Br)cc(F)c1CBr)[C@H]1C[C@@H]2C[C@@H](OCc3ccccc3)C[C@H]12 2357089507 LURSPPNXVJAWLR-DKXUYOFUSA-N 497.246 6.303 50 10 JKGE COc1ccc(OC)c([C@@H](Br)c2ccc(OCc3ccccc3)cc2Br)c1 2361196352 XATAYYCSLHBOCY-QFIPXVFZSA-N 492.207 6.530 50 10 JKGE Brc1ccc(OCc2ccccc2)c([C@H](Br)[C@@H]2CCc3ccccc3C2)c1 2361206587 LNDKMRMGTJHXSV-HYBUGGRVSA-N 486.247 7.269 50 10 JKGE C[C@@H](Br)CN(Cc1ccccc1)Cc1cc(C(F)(F)F)ccc1C(F)(F)F 2362128124 VIMWJJAMWHHGDU-CYBMUJFWSA-N 454.252 6.510 50 10 JKGE Fc1ccc(C(F)F)c([C@@H](Cl)c2ccc(OCc3ccccc3)cc2Br)c1 2363677262 OEWFQSMOQVYBIX-FQEVSTJZSA-N 455.701 7.433 50 10 JKGE Cc1cc(Br)c(F)c(Br)c1[C@@H](Br)c1cccc(F)c1F 2365215570 LMQIRBCGLZJOKT-NSHDSACASA-N 472.924 6.422 50 10 JKGE Cc1cc(Br)c([C@H](Br)[C@H]2CC[C@H]2C(C)(C)C)c(C)c1Br 2369221757 QXIFGIQNVGFLHS-HWWQOWPSSA-N 467.083 7.337 50 10 JKGE Clc1c(Br)csc1[C@H](Cl)c1cc2c(cc1Br)OCCC2 2369641107 WKKDIFQKNIXZOF-GFCCVEGCSA-N 457.014 6.580 50 10 JKGE CC(C)CCOc1ccc(C(=O)NNC(=O)c2ccc(C(C)(C)C)cc2)cc1Br 14645689 MQXGAJFPVYWNFI-UHFFFAOYSA-N 461.400 5.246 50 10 JKGE C/C(=N\NC(=O)c1ccoc1C)c1cccc(NC(=O)[C@H](C)Oc2ccc(Cl)cc2C)c1 20352692 BRTGKNIVVRXRIO-JEWIKEISSA-N 453.926 5.110 50 10 JKGE CC(C)CCN(CC(=O)Nc1cc(C(C)(C)C)nn1-c1ccc(Cl)cc1)C(=O)C(C)(C)CCl 35699976 FHIXIDYWWZTQTI-UHFFFAOYSA-N 495.495 5.901 50 10 JKGE CCCCSc1ccc(-c2nn(-c3ccccc3)cc2/C=C2/C(=O)N(C)C(=O)C(C#N)=C2C)cc1 38602918 NIFVILGBHSMZGL-LFVJCYFKSA-N 482.609 5.654 50 10 JKGE CCCOc1ccc(-c2nn(-c3ccccc3)cc2/C=C2/C(=O)N(C(C)C)C(=O)C(C#N)=C2C)cc1C 38604299 NDOHQMNKPJUYPO-PCLIKHOPSA-N 494.595 5.637 50 10 JKGE CC(C)c1ccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4cccc([N+](=O)[O-])c4)ccc32)cc1 38649681 BDOIMXOCZOSYCP-XMMPIXPASA-N 455.470 5.156 50 10 JKGE CCCOc1ccccc1[C@H]1C(C#N)=C(N)Oc2cc(OC(=O)COc3cccc(C)c3C)ccc21 38681712 RPZBLJJEKZFOKP-MUUNZHRXSA-N 484.552 5.295 50 10 JKGE COc1ccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4oc5cc(C)cc(C)c5c4C)ccc32)cc1 40530336 ZPPUMHDFQBALLL-AREMUKBSSA-N 480.520 5.804 50 10 JKGE CCOc1ccccc1NC(=O)c1oc2c(c1C)/C(=N/NC(=O)c1ccc(Cl)cc1)CCC2 40811608 AIPQZMOOHHKSKX-TURZUDJPSA-N 465.937 5.363 50 10 JKGE Cc1cc(C)cc(OC(=O)c2oc3c(c2C)/C(=N/NC(=O)c2cncc(Br)c2)CCC3)c1 40822940 LUSKUQCBCMSRDN-ZXVVBBHZSA-N 496.361 5.052 50 10 JKGE Cc1c(C(=O)Nc2ccc(C(C)C)cc2)oc2c1/C(=N/NC(=O)c1ccc3ccccc3n1)CCC2 40825807 YCTRTOUSFYUWJP-AWSUPERCSA-N 480.568 5.982 50 10 JKGE CCOc1ccc(Br)cc1/C=N/NC(=O)COc1ccccc1-c1ccccc1 40911927 LUWGUNHDRIEWPD-MFKUBSTISA-N 453.336 5.044 50 10 JKGE N#C/C(=C/c1ccccc1OCc1ccccc1Cl)C(=O)Nc1cc([N+](=O)[O-])ccc1Cl 59266364 RFBIFJZDNFGTOU-BOPFTXTBSA-N 468.296 6.026 50 10 JKGE COc1cc(/C=N/NC(=O)c2cc3ccccc3o2)c(Br)cc1OCc1ccccc1F 59304754 KMYWGXOZIFLKOC-UVHMKAGCSA-N 497.320 5.686 50 10 JKGE COc1cc(/C=C(/C#N)C(=O)Nc2cc(C(F)(F)F)ccc2Cl)cc(Br)c1O 95949602 PPWADESPIAHURW-WMZJFQQLSA-N 475.648 5.381 50 10 JKGE COc1cc(/C=C(/C#N)C(=O)Nc2nc3ccccc3s2)ccc1OCCOc1cccc(C)c1 102444106 IHBZQIJKISKEHM-HKWRFOASSA-N 485.565 5.617 50 10 JKGE Cc1cc(C)c([C@H](Br)c2cc(Br)sc2Br)c(C)c1 104030506 DEXAOCGTQNJGBS-CYBMUJFWSA-N 453.037 6.683 50 10 JKGE Cc1cc(Br)c([C@H](Br)c2csc(I)c2)s1 118884144 ISVQFGDBYOKYHF-SECBINFHSA-N 478.012 5.969 50 10 JKGE CCCCCCCCCOc1ccc(/C=N/NC(=O)c2cc3ccccc3n2C)cc1Cl 169926006 XQFYLICVFGXOSC-TURZUDJPSA-N 454.014 6.725 50 10 JKGE N#C/C(=C/N1CCN(C(c2ccccc2)c2ccccc2)CC1)C(=O)Nc1cccc(Cl)c1Cl 217124899 FOIJBIICRGQSBH-QOCHGBHMSA-N 491.422 5.747 50 10 JKGE CCCCOC(=O)c1ccccc1NC(=O)/C(C#N)=C\Nc1ccccc1Sc1ccccc1 217240372 GWHXDLBFLMKZCL-VXPUYCOJSA-N 471.582 6.253 50 10 JKGE CC[C@H](C)[C@H](c1ccccc1)[C@@H](Br)c1cc(Br)sc1Br 217557780 GNVAUDFLRIMIRY-VQISRLSMSA-N 481.091 7.539 50 10 JKGE COc1ccc([C@H](Br)c2cc(I)ccc2Br)cc1F 234995558 FDNFWNMHVBYCAH-AWEZNQCLSA-N 499.943 5.686 50 10 JKGE Clc1cc([C@H](Cl)c2ccc(Br)cc2Br)sc1Br 236031280 JPRQQAJFVYQMOV-SNVBAGLBSA-N 479.846 7.017 50 10 JKGE COC(=O)c1cc(-c2ccc(C=NNC(=O)c3cc4c(ccc5ccccc54)o3)o2)ccc1Cl 252623035 OIQGMNWKSIMYAR-UHFFFAOYSA-N 472.884 6.050 50 10 JKGE O=C(COc1ccc(OCc2ccccc2)cc1)NN=Cc1ccc(OC(=O)c2ccccc2F)cc1 254305117 MHHYWGWOBDOZQL-UHFFFAOYSA-N 498.510 5.153 50 10 JKGE O=C(CSc1nc(/C=C\c2ccccc2)nc2ccccc12)NN=Cc1ccc(Cl)cc1 254705466 HBKPFYLJHRGCST-POUJSKFDSA-N 458.974 5.696 50 10 JKGE CCn1c(C)nc2cc(C(=O)NN=Cc3sc(N4CCCCC4)nc3-c3cccs3)ccc21 254752221 KYOWOGTXEAOIPA-UHFFFAOYSA-N 478.647 5.304 50 10 JKGE Cc1cc(Br)ccc1[C@@H](Br)c1cc2c(cc1Br)OCC2 308412627 HVIAJEWWJWTXIN-MRXNPFEDSA-N 460.991 5.939 50 10 JKGE Clc1ccc([C@@H](Br)c2sccc2I)c2ccccc12 312038140 ZWGCVWOVXUXNRX-CQSZACIVSA-N 463.565 6.644 50 10 JKGE O=C(OCc1ccccc1)N1C[C@H](CBr)[C@H](c2ccc(F)cc2Br)C1 382717992 LTZVOZKHFPLNFE-WMLDXEAASA-N 471.164 5.335 50 10 JKGE CO[C@H](CC(CBr)(CBr)c1ccccc1Br)C(C)C 388898579 KQQKOAPXHNIOES-CQSZACIVSA-N 457.044 5.538 50 10 JKGE BrCc1cc(Br)cc(Br)c1OC[C@@H]1CC[C@H]2C[C@@H]2C1 403746849 NWTDNNOYEFONHX-VWYCJHECSA-N 453.012 5.922 50 10 JKGE N#CSc1ccc(NC(=O)c2cccc(NC(=O)N3CCC(Cc4ccccc4)CC3)c2)cc1 586672231 GIXQQVUPHUXNBK-UHFFFAOYSA-N 470.598 5.999 50 10 JKGE CO[C@H]1CCC[C@H](C(CBr)(CBr)c2ccc(Br)cc2)C1 686321930 SKOPILDHWYPAPN-ZFWWWQNUSA-N 469.055 5.682 50 10 JKGE ClCc1ccc(Br)cc1OCc1cc(Cl)ccc1I 691390059 XVBZYFJOHXCSCS-UHFFFAOYSA-N 471.947 6.025 50 10 JKGE C[C@H]1CCCN(C(=O)c2cc(Br)ccc2Br)[C@H]1CCBr 697202020 XELZLHZEQPJXQS-HZMBPMFUSA-N 468.027 5.237 50 10 JKGE Clc1cc2c(c([C@@H](Br)c3scc(Br)c3Br)c1)OCC2 707832828 BJYYZGRDKWMVCS-SNVBAGLBSA-N 487.438 6.346 50 10 JKGE CCOc1cc(C=NNC(=O)C(=O)Nc2cccc(Cl)c2Cl)ccc1OCc1ccccc1 1083859627 XRWYHACRLJYEEO-UHFFFAOYSA-N 486.355 5.060 50 10 JKGE CCOc1cc(C=NNC(=O)c2ccc(NC(=O)c3ccc(C(C)(C)C)cc3)cc2)ccc1O 1083930314 WLOQYBZJLMKQMV-UHFFFAOYSA-N 459.546 5.105 50 10 JKGE CCOC(=O)c1cccc(-n2c(C)cc(/C=C(\C#N)C(=O)Nc3cccc(Cl)c3Cl)c2C)c1 1084107363 RZQUUJAKYKKDAP-XDHOZWIPSA-N 482.367 6.123 50 10 JKGE Cc1ccccc1C=NNC(=O)c1ccc(-c2ccc(C(=O)NN=Cc3ccccc3C)cc2)cc1 1084142663 YHBMDQZNOPKVHA-UHFFFAOYSA-N 474.564 5.498 50 10 JKGE Cc1ccc(NC(=O)C(=O)NN=Cc2c(OCc3ccccc3)ccc3ccccc23)c(C)c1 1084261886 NFVLJAWYBPTODG-UHFFFAOYSA-N 451.526 5.124 50 10 JKGE COc1ccc(CSCC(=O)NN=Cc2cc(C)n(-c3cc(Cl)ccc3Cl)c2C)cc1 1084427067 JSAIMHCPUDKVEX-UHFFFAOYSA-N 476.429 5.793 50 10 JKGE O=C(NN=C(CSc1nc2ccccc2[nH]1)c1ccc(-c2ccccc2)cc1)c1ccccc1Cl 1084475859 WXBJKGIAUGYETF-UHFFFAOYSA-N 497.023 6.810 50 10 JKGE Cc1ccc(Cn2nc(-c3ccccc3)c3c2OC(N)=C(C#N)[C@H]3c2ccc(C(C)(C)C)cc2)cc1 1865682238 JODFGUVQCUSYCT-AREMUKBSSA-N 474.608 6.423 50 10 JKGE COc1ccc(-c2nn(Cc3ccccc3)c3c2[C@H](c2ccccc2Cl)C(C#N)=C(N)O3)cc1 1865685587 KOUFLGHHCGLEBO-HSZRJFAPSA-N 468.944 5.479 50 10 JKGE CCCc1nn(Cc2ccccc2F)c2c1[C@@H](c1c(OC)ccc3ccccc13)C(C#N)=C(N)O2 1865688372 QOENSWCPGIKSQL-RUZDIDTESA-N 468.532 5.403 50 10 JKGE CCCc1nn(Cc2ccc(Cl)cc2)c2c1[C@@H](c1ccc(OCC)c(OCC)c1)C(C#N)=C(N)O2 1865690016 ZBFKDGWHFSBYNE-DEOSSOPVSA-N 493.007 5.553 50 10 JKGE CCCCCOc1ccc([C@H]2C(C#N)=C(N)Oc3c2c(CC)nn3Cc2ccccc2)cc1OC 1865696288 LOIYZRDFDLTBRP-VWLOTQADSA-N 472.589 5.290 50 10 JKGE CCCc1nn(Cc2cc(C)ccc2C)c2c1[C@H](c1cc(Br)ccc1O)C(C#N)=C(N)O2 1865696290 LTJNDRUJAXTUKQ-JOCHJYFZSA-N 493.405 5.187 50 10 JKGE CCCc1nn(-c2ccccc2Cl)c2c1[C@@H](c1cc(Br)ccc1O)C(C#N)=C(N)O2 1865696828 RDLABBLWLYXNEY-IBGZPJMESA-N 485.769 5.164 50 10 JKGE CCc1nn(-c2cccc3ccccc23)c2c1[C@H](c1ccc(OC(C)C)c(OC)c1)C(C#N)=C(N)O2 1865697214 PSJNFAOMLXHYDX-AREMUKBSSA-N 480.568 5.602 50 10 JKGE CCCc1nn(CCC)c2c1[C@@H](c1ccc(OCc3ccccc3C)c(OCC)c1)C(C#N)=C(N)O2 1865702441 AJLDKFVNHYNGOW-SANMLTNESA-N 486.616 5.750 50 10 JKGE C[C@@H](NC(=O)C[C@@H](c1ccccc1)c1ccc(F)c(F)c1)C(=O)Nc1ccc(SC#N)cc1 1867117358 PMJGUDLACBXIHE-IERDGZPVSA-N 465.525 5.203 50 10 JKGE CC[C@](C)(NC(=O)C[C@@H](c1ccccc1)c1ccc(F)c(F)c1)C(=O)Nc1ccc(SC#N)cc1 1867131192 CHFGDSCBGCXXIS-CUNXSJBXSA-N 493.579 5.984 50 10 JKGE CCc1nc(Nc2ccc(SC#N)cc2)cc(N2CCN([C@H](C)c3cccs3)CC2)n1 1868278203 VXRJHJKIZSZJQY-QGZVFWFLSA-N 450.637 5.300 50 10 JKGE CC(C)N1CCN(c2cc(Nc3ccc(SC#N)cc3)nc(-c3ccc(F)cc3)n2)c2ccccc21 1868456083 JHOWFHIXNVYKJK-UHFFFAOYSA-N 496.615 6.966 50 10 JKGE COC(=O)c1ccc(/C=C/C(O)=C(\C#N)c2nc(-c3ccc(Cl)cc3Cl)cs2)cc1 1872745079 VIYNCJCGTVCHGA-UARHOMKASA-N 457.338 6.410 50 10 JKGE N#C/C(=C(O)\C=C\c1ccc(Cl)c(Cl)c1)c1nc(-c2cccc(Br)c2)cs1 1872746169 VQXAKBFYQUFKHA-WAGOGBEDSA-N 478.198 7.385 50 10 JKGE CCc1cccc(CC)c1N1C[C@@H](/C(O)=C(\C#N)c2nc(-c3cccc(Cl)c3)cs2)CC1=O 1872748176 LUHFKCWTQDVLJN-GYGWLHPRSA-N 478.017 6.434 50 10 JKGE COc1c(Cl)cc(Cl)cc1-c1csc(/C(C#N)=C(\O)c2cc3ccccc3oc2=O)n1 1872754237 JNPHTFKHDSOUOE-CYVLTUHYSA-N 471.321 6.182 50 10 JKGE COc1ccc(-c2csc(/C(C#N)=C(O)/C=C/c3ccc(Cl)c(Cl)c3)n2)c(OC)c1 1872755310 HSYQNNQBQIPZCQ-ZLMUJRJASA-N 459.354 6.640 50 10 JKGE COc1cc(Cl)c(C)cc1-c1csc(/C(C#N)=C(\O)[C@H]2CC(=O)N([C@@H](C)c3ccccc3)C2)n1 1872756978 LCTMCTCGEITOHK-AQHIAPAPSA-N 494.016 6.183 50 10 JKGE COc1cc(C)c(-c2csc(/C(C#N)=C(\O)[C@@H](C)Oc3ccc(Cl)cc3Cl)n2)cc1C 1872758120 MHRZXUMVGNAVMX-CHOFAJOMSA-N 475.397 7.003 50 10 JKGE COc1ccc(Cl)cc1-c1csc(/C(C#N)=C(\O)CCCOc2ccc(C(C)(C)C)cc2)n1 1872758511 DOUZSXWFMJQVPY-LNVKXUELSA-N 483.033 7.421 50 10 JKGE CCCCCOc1ccc(/C=C(\C#N)c2nc(-c3ccc(Br)cc3)cs2)cc1OCC 1872780962 QFESZKYNENAIDK-XSFVSMFZSA-N 497.458 7.604 50 10 JKGE Cc1ccc(COc2ccc(/C=C(\C#N)c3nc(-c4cccc([N+](=O)[O-])c4)cs3)cc2)cc1 1872782528 KQZNEXRHVOYPHW-LPYMAVHISA-N 453.523 6.670 50 10 JKGE COc1cc(/C=C(\C#N)c2nc(-c3ccc(F)cc3F)cs2)ccc1OCc1ccccc1 1872784123 DGTQYPWGSWCWFP-YBFXNURJSA-N 460.505 6.740 50 10 JKGE CCCOc1c(Br)cc(/C=C(\C#N)c2nc(-c3cc(C)ccc3OC)cs2)cc1OC 1872790962 NSMGBEFHGICXCM-LICLKQGHSA-N 499.430 6.751 50 10 JKGE N#C/C(=C\c1ccccc1)C(=O)N1CCC(=C2c3ccc(Cl)cc3CCc3cccnc32)CC1 1873790984 CSXXIOHIXRGDQQ-JJIBRWJFSA-N 465.984 5.865 50 10 JKGE Cc1ccc(OCCC/C(O)=C(\C#N)c2nc(-c3ccc(-c4ccccc4)cc3)cs2)cc1 1873940799 IBHHJICQQWBXAZ-RFBIWTDZSA-N 452.579 7.437 50 10 JKGE Clc1ccc([C@H](Br)c2sccc2Br)c(I)c1 1901581986 IWFNNRYIJRYCAI-JTQLQIEISA-N 492.401 6.253 50 10 JKGE Cc1cc(Br)c(C(=O)N(Cc2ccccc2)C[C@@H](C)Br)cc1Cl 1914609447 GCCYPUGLOLROCX-CYBMUJFWSA-N 459.609 5.837 50 10 JKGE COc1ccc(Br)c(C(=O)N(Cc2ccccc2)[C@@H](C)CCBr)c1 1915079408 BILJBJLTSRDOTJ-AWEZNQCLSA-N 455.190 5.274 50 10 JKGE C[C@H](CCCl)N(Cc1ccccc1)C(=O)c1ccc(I)c(Cl)c1 1915093659 XUTWUYLUTHJXKX-CYBMUJFWSA-N 462.158 5.604 50 10 JKGE O=C(c1csc(Br)c1Br)N1[C@H]2CCC[C@H]1CC(Br)C2 1922799759 PBLZYMGANSUPDU-IUCAKERBSA-N 472.040 5.194 50 10 JKGE CC1(C)CC[C@@H](Br)[C@@H](CNC(=O)c2cc(Br)c(Br)s2)C1 1927057861 JADXDOBSEKCODM-RKDXNWHRSA-N 488.083 5.593 50 10 JKGE CN[C@H](c1c(Br)sc(Br)c1Br)[C@H]1C[C@H](Br)C1 1991429702 MJNULYAAKPPPBV-YQJDLUKNSA-N 496.888 5.470 50 10 JKGE Cn1nc([C@H](Br)c2cc(Cl)c(Br)s2)c(Br)c1Cl 2001990231 BSOBOYZOKPDMOC-RXMQYKEDSA-N 483.838 5.798 50 10 JKGE Cc1c(Br)sc([C@H](Br)[C@@H]2C[C@]23CC3(F)F)c1Br 2004506209 GDJVQWPOBHKTCJ-GYZLHAHLSA-N 450.968 6.063 50 10 JKGE C[C@@]1([C@H](Cl)c2c(Br)sc(Br)c2Br)CCCCO1 2021893444 LHZZNNZJOVJHDW-KCJUWKMLSA-N 467.448 6.275 50 10 JKGE CCC1CC(C[C@H](Br)c2c(Br)sc(Br)c2Cl)C1 2025344006 LWADIXIVEHLVAZ-RRQHEKLDSA-N 465.476 7.189 50 10 JKGE CCc1cc(Br)c([C@@H](Br)c2cc(F)cc(Br)c2)s1 2029232553 JRUMIJZRILFKLE-LBPRGKRZSA-N 457.000 6.459 50 10 JKGE CCc1cc(C)sc1[C@@H](Br)c1c(Br)cccc1Br 2033085617 YIIXGLDIXIJSHN-ZDUSSCGKSA-N 453.037 6.628 50 10 JKGE Cn1nc([C@H](Br)Cc2cccc(Br)c2)c(Br)c1Cl 2048146117 HASUYLFDBVHQOK-SECBINFHSA-N 457.391 5.277 50 10 JKGE CC[C@@H]1CN(c2cc(Br)cc(F)c2CBr)CCN1Cc1ccccc1 2051131255 IGOKGZGRZUUXLS-QGZVFWFLSA-N 470.224 5.584 50 10 JKGE C[C@H](NCCSSCCNC(=O)OC(C)(C)C)c1ccc(CNC(=O)OC(C)(C)C)cc1 2067352210 IHVKIRGCHGQUQR-KRWDZBQOSA-N 485.716 5.268 50 10 JKGE COCc1cccc([C@H](Br)c2sc(Br)cc2Br)c1 2071275827 DNTWKFLCFXXTBA-LBPRGKRZSA-N 455.009 5.904 50 10 JKGE CCCC[C@H](C)CC[C@H](Cl)c1c(Br)sc(Br)c1Br 2086056287 HISGKTUUAFVADT-IUCAKERBSA-N 481.519 7.922 50 10 JKGE C[C@H]1CCO[C@@H]1CC(CBr)(CBr)c1cccc(Br)c1 2096130947 ZIFUJNHNAJBZAC-SMDDNHRTSA-N 455.028 5.292 50 10 JKGE O=C(c1csc(Br)c1Br)N1[C@H](CBr)C[C@@H]2CCC[C@@H]21 2108391983 ODSYQMBQVAQNOP-NRPADANISA-N 472.040 5.051 50 10 JKGE Cc1c(Cl)cc([C@H](Cl)c2c(Cl)sc(Br)c2Cl)cc1Br 2111087813 XQMIVKSWQXYQRP-VIFPVBQESA-N 483.867 7.870 50 10 JKGE FC1(F)CC2(C1)C[C@]2(CBr)Cc1cc(Br)ccc1Br 2132885064 RZHDNHVLSJMSQQ-LBPRGKRZSA-N 458.966 5.955 50 10 JKGE COc1cc(Cl)c([C@H](Cl)c2ccc(OCc3ccccc3)cc2)cc1Br 2137636018 AEVKTILNZNRYSI-OAQYLSRUSA-N 452.175 7.018 50 10 JKGE Cc1cc([C@@H](Br)[C@@H](C)c2ccncc2Br)ccc1I 2142105484 DEDVEZCCTHNSAA-BONVTDFDSA-N 494.996 5.997 50 10 JKGE COc1ccc(Cl)cc1[C@@H](Cl)c1ccc(Br)cc1I 2142287363 MNDYIFGSAOVFKC-AWEZNQCLSA-N 471.947 6.044 50 10 JKGE CC(C)(C)[C@@H]1[C@H](Br)CCN1Cc1ccc(I)c(Cl)c1 2142942037 ADRJNTHNTQTCGI-RISCZKNCSA-N 456.593 5.329 50 10 JKGE O=C(c1cccc(Br)c1Br)N1[C@H]2CCC[C@@H](Br)[C@H]1CC2 2154099396 TZBOBEMQSUNYBV-UFGOTCBOSA-N 466.011 5.132 50 10 JKGE C[C@H](Cl)c1nc2cc(Br)c(Cl)cc2n1[C@@H]1C[C@@H](C)N(Cc2ccccc2)C1 2160082256 GWJNKBDNHVHDEV-IJEWVQPXSA-N 467.238 6.588 50 10 JKGE Fc1cc2c(cc1I)nc(CCl)n2[C@H]1CCCN(Cc2ccccc2)CC1 2160557777 DVGQILJGPWFLFV-INIZCTEOSA-N 497.783 5.746 50 10 JKGE CC(C)(C)[C@]1(CBr)CCN(C(=O)c2cc(Br)c(Br)s2)C1 2160943209 XCZRDJFTQHEMKC-AWEZNQCLSA-N 488.083 5.546 50 10 JKGE Clc1ccc(C[C@H](CBr)Cc2ccccc2Br)cc1Br 2166825613 VJJUFUNJABONTC-LBPRGKRZSA-N 481.453 6.661 50 10 JKGE C[C@]1(COc2c(Br)cc(Br)cc2CBr)CCCC1(F)F 2167935296 XDOPIHAGUFSAMR-CYBMUJFWSA-N 476.981 6.311 50 10 JKGE Fc1cc(Br)cc(N2CCC[C@H]2[C@@H]2CCN(Cc3ccccc3)C2)c1CBr 2170686343 WKIDAQQLPTYZQT-UTKZUKDTSA-N 496.262 5.974 50 10 JKGE FC(F)(F)c1cc(Br)cc([C@H](Br)c2ccc(Br)cc2)c1 2172413185 VCGPTUZGGLBEOF-CYBMUJFWSA-N 472.924 6.715 50 10 JKGE CC1=CC(C)(C)Nc2c(C(=O)N/N=C3/C(=O)N4c5c(cccc53)C(C)=CC4(C)C)cc(C)cc21 2185889419 QWAJVYLKPJUZIC-JJKYIXSRSA-N 454.574 5.279 50 10 JKGE COc1cc(C)c([C@H](Br)c2ccc(F)cc2Br)cc1Br 2198736328 CNJIYJVBQOFIQD-OAHLLOKOSA-N 466.970 6.152 50 10 JKGE COc1c(Br)cc(C)cc1[C@@H](Br)c1cc(F)ccc1Br 2203830312 OVLYCQKHKNPVRK-AWEZNQCLSA-N 466.970 6.152 50 10 JKGE O=C(c1ccc(Br)cc1Br)N1[C@@H](CBr)CCC12CCC2 2205773597 SCBKXEODKGJWCO-LLVKDONJSA-N 466.011 5.134 50 10 JKGE Cl[C@H](Cc1sc(Br)c(Br)c1Br)c1cccs1 2212199869 HIGLEHJTEZGWCW-RXMQYKEDSA-N 465.457 6.620 50 10 JKGE CCc1sc(Br)cc1[C@H](Br)c1cc(Br)c(C)s1 2213746822 PEFBDKRDDJAQCH-LBPRGKRZSA-N 459.066 6.690 50 10 JKGE CCCN1C[C@@H](Cl)[C@@H](c2sc(Br)c(Br)c2Br)C1 2216390815 CYWZOYRSWFLMFI-NKWVEPMBSA-N 466.464 5.452 50 10 JKGE Cc1c(Br)sc([C@H](Br)c2ccc(Cl)cc2Br)c1C 2218790858 OZELFVONTIZWKQ-LLVKDONJSA-N 473.455 7.028 50 10 JKGE Fc1cc(Br)c(Br)cc1[C@H](Br)[C@H]1CC12CC(F)(F)C2 2225616217 DKYDODPNYPUYTF-HQJQHLMTSA-N 462.929 6.222 50 10 JKGE CCn1ncc(Br)c1[C@@H](Cl)c1cc(Br)c(Br)cc1F 2225636024 ZAGSVXKXRNFJQO-NSHDSACASA-N 475.381 5.658 50 10 JKGE COc1cc(F)cc([C@@H](Br)c2ccc(Br)cc2Br)c1 2226033891 ZGAMGYAPPNHUSV-CQSZACIVSA-N 452.943 5.844 50 10 JKGE COc1cc(CBr)cc(Br)c1OCc1nscc1Br 2227114379 ZOMIRSDUKMDHEI-UHFFFAOYSA-N 471.996 5.151 50 10 JKGE Clc1cc(Br)ccc1[C@H](Cl)c1c(Br)cc(Cl)c(Cl)c1Cl 2232511775 LZAIKEGAFBFXBB-NSHDSACASA-N 498.256 8.153 50 10 JKGE CCCCCCCC[C@H](Br)c1c(Br)cc(C)c(Br)c1C 2235603090 HCSIDEQWLCQZIH-AWEZNQCLSA-N 469.099 8.015 50 10 JKGE Cc1c(Br)ccc([C@H](Br)[C@@H]2OCC[C@@H]2C(F)(F)F)c1Br 2240512685 CLDWEVJYOUAOBL-KPXOXKRLSA-N 480.944 5.923 50 10 JKGE COc1ccc([C@@H](Br)c2cc(F)ccc2Br)cc1I 2269554923 HHRAGHKTVGZTAX-CQSZACIVSA-N 499.943 5.686 50 10 JKGE COc1ccc([C@H](Br)c2scc(Br)c2Br)c(OC)c1 2271512189 QMNFIACTYHPQSK-NSHDSACASA-N 471.008 5.775 50 10 JKGE C[C@H]1C[C@H]([C@@H](Br)Cc2cc(Br)cc(Br)c2)C[C@@H](C)O1 2277962939 NYMTWPPIQPUKIP-HOZXKAFVSA-N 455.028 5.721 50 10 JKGE Fc1cc([C@H](Br)c2cc(Cl)c(Br)cc2F)c(F)cc1Br 2282098793 YFXOZAHAGYXEBA-CYBMUJFWSA-N 493.342 6.767 50 10 JKGE Cc1ccc(Cl)c([C@H](Br)c2c(F)cc(Br)c(F)c2Br)c1 2288348650 HMOKPQUOGSOLQL-LBPRGKRZSA-N 489.379 6.936 50 10 JKGE Fc1cc(Br)c(F)c(Br)c1[C@H](Br)[C@H]1COCCC1(F)F 2288353482 JNMAYQLKTFUOGB-MLUIRONXSA-N 484.907 5.598 50 10 JKGE COc1ccc(-c2nnc(SCC(=O)NN=CC(C)=Cc3ccccc3)n2-c2ccc(C)cc2)cc1 2293744122 CQEDDUJKQIVSAB-UHFFFAOYSA-N 497.624 5.549 50 10 JKGE Cc1c(Br)cc(C(C)C)c(OCC(=O)NN=CC=Cc2ccccc2)c1Br 2294780523 WJGZMEQSHZGUDV-UHFFFAOYSA-N 494.227 5.838 50 10 JKGE Clc1cccc([C@H](CI)OCc2cc(Br)ccc2Cl)c1 2295173876 QYZHHGLLGSUQEB-HNNXBMFYSA-N 485.974 6.449 50 10 JKGE CC1(C)C2CCC1([C@@H](Br)Cc1cc(Br)cc(Br)c1)CC2 2295343000 QYDIFXAKWCHXBE-VXKCQOAXSA-N 465.067 6.734 50 10 JKGE CC(C)(C)c1ccc(OCCn2cc(C=C(C#N)C(=O)NC3CCCC3)c3ccccc32)cc1 2297123836 UMCDZGMMNWEJOX-UHFFFAOYSA-N 455.602 5.984 50 10 JKGE COc1cc(C=C(C#N)c2nc3ccc(C)cc3[nH]2)ccc1Oc1ccc(C(F)(F)F)cc1[N+](=O)[O-] 2297296980 NPPYWCZKZBTHLI-UHFFFAOYSA-N 494.429 6.663 50 10 JKGE COc1cccc(NC(SCc2ccc(C)cc2C)=C(C#N)C(=O)NCc2ccccc2)c1 2297414575 NCBLJYIBNYUAQR-UHFFFAOYSA-N 457.599 5.709 50 10 JKGE CC(=O)Oc1ccc(-n2c(C)cc(C=C(C#N)C(=O)Nc3cccc(Cl)c3Cl)c2C)cc1 2313570909 IXSBGNXGSOZCOC-UHFFFAOYSA-N 468.340 5.872 50 10 JKGE CCc1ccc(N2C(=O)[C@H](Cc3cccc(C)c3)SC2=C(C#N)C(=O)Nc2ccccc2OC)cc1 2314592608 YMAPDKWHFZKBAD-SANMLTNESA-N 497.620 5.631 50 10 JKGE CC1=C(C#N)C(=O)N(Cc2ccc3c(c2)OCO3)C(=O)C1=Cc1ccc(-c2ccccc2Cl)o1 2314617105 QUGVMXUTKOTRPT-UHFFFAOYSA-N 472.884 5.121 50 10 JKGE CCCCCCCCOc1ccc(C=C2C(=O)N(C3CCCC3)C(=O)C(C#N)=C2C)cc1OC 2314617366 WVDNNYRIYOOMRX-UHFFFAOYSA-N 464.606 5.969 50 10 JKGE CC(C)[C@@H]1C[C@H]1[C@H](Br)c1c(Cl)cc(Br)c(F)c1Br 2315447727 RJSYKUMDBWYQDI-CVJICSNFSA-N 463.410 6.732 50 10 JKGE Cc1nc(Br)c([C@H](Br)c2c(Cl)sc(Cl)c2Cl)n1C 2315599253 ULZOHPXNXLLJOK-RXMQYKEDSA-N 453.414 5.997 50 10 JKGE FC(F)c1ccc([C@H](Br)c2sc(Cl)cc2I)cc1 2316600754 KGGRWTMZWNPUPI-JTQLQIEISA-N 463.512 6.428 50 10 JKGE FC1(F)CCCCC[C@@H]1[C@@H](Br)c1sc(Cl)cc1I 2316776968 INJNPSLBWJFJAK-GMSGAONNSA-N 469.560 6.658 50 10 JKGE Clc1ccc([C@@H](Br)c2ccc(Cl)c(Cl)c2)c(I)c1 2317775520 OTKZXIHRBMLPQD-ZDUSSCGKSA-N 476.366 6.736 50 10 JKGE BrCc1cc(Br)ccc1OCc1cccc(I)c1 2319173903 ODWNESJRONJXAU-UHFFFAOYSA-N 481.953 5.528 50 10 JKGE CCN(Cc1ccccc1)c1ccc(C=NNC(=O)Cc2cc(Cl)ccc2SC)cc1 2323680531 HXDWWVAQXCHUKX-UHFFFAOYSA-N 452.023 5.781 50 10 JKGE Cc1cc(Cl)c([C@H](Br)c2cc(Br)c(Br)s2)c(Cl)c1 2327903021 LQCMBOBGYOGRQS-LLVKDONJSA-N 493.873 7.373 50 10 JKGE Cc1ccc(-c2csc(C(C#N)=C(O)c3ccc4c(c3)C(=O)N(Cc3ccccc3)C4=O)n2)c(C)c1 2331309133 ZNJBMXRCAHTJEG-UHFFFAOYSA-N 491.572 6.173 50 10 JKGE COc1cc(-c2csc(C(C#N)=C(O)COc3ccc(C)cc3C)n2)c(OC)cc1Cl 2331377199 WHZBELOVLMKAGO-UHFFFAOYSA-N 456.951 5.969 50 10 JKGE CC(C)CN1C(=O)c2ccc(C(O)=C(C#N)c3nc(-c4cc(Cl)ccc4Cl)cs3)cc2C1=O 2331403705 AZCMWJSXMTXWOZ-UHFFFAOYSA-N 498.391 6.319 50 10 JKGE CCN(Cc1ccccc1)c1ccc(C=C(C#N)c2nc(-c3ccc(Cl)cc3Cl)cs2)cc1 2331424692 GAJLZUIBOOFJGJ-UHFFFAOYSA-N 490.459 8.208 50 10 JKGE Brc1ccc(OCc2ccccc2)c([C@H](Br)c2csc3ccccc23)c1 2336075320 OJPJJBGMGOXIHB-QFIPXVFZSA-N 488.244 7.727 50 10 JKGE Brc1ccc(OCc2ccccc2)c([C@H](Br)[C@H]2CCn3ncnc3C2)c1 2336083193 IFZJIPFJGGIALZ-MGPUTAFESA-N 477.200 5.318 50 10 JKGE ClC[C@H](Cc1ccc(Cl)c(I)c1)c1ccc(Br)cc1 2337221346 NJYBTXCKGMRGIV-LBPRGKRZSA-N 469.975 6.272 50 10 JKGE Cc1cccc(OCc2ccc(Cl)c(I)c2)c1CBr 2337269998 GQLDIXKPSJSYLH-UHFFFAOYSA-N 451.529 5.727 50 10 JKGE Cc1cc(Br)c(CCl)c(Oc2cc(Br)cc(Br)c2)c1 2338756726 CIMQOTYXFFLVMC-UHFFFAOYSA-N 469.398 6.814 50 10 JKGE Clc1cc(I)c([C@H](Br)[C@@H]2CC[C@H]3CCCC[C@H]3C2)s1 2338773945 SPHWEXNEEMHRGP-FBKDDSFISA-N 473.645 7.049 50 10 JKGE Cc1cc(Br)c(F)c(Br)c1[C@@H](Br)[C@@H]1C2C[C@@H]3C1[C@@H]3C2 2339657631 ZTPKSEPJLWJLNT-NMOYQMAISA-N 452.987 5.997 50 10 JKGE Cc1cc(F)c([C@@H](Br)c2ccc(Cl)cc2I)cc1C 2340065381 VNCXNYMCXQKCNF-HNNXBMFYSA-N 453.520 6.185 50 10 JKGE Fc1cc(Br)cc(CBr)c1OCc1sc(Cl)cc1Br 2345952685 VHQVKXWJLKQQIA-UHFFFAOYSA-N 493.417 6.540 50 10 JKGE Cc1cccc([C@@H](Br)CCc2ccc(I)c(Br)c2)c1 2349854904 PVIWFEFZQOJVPF-AWEZNQCLSA-N 494.008 6.431 50 10 JKGE CCC[C@@H](CC)CC(CBr)(CBr)c1ccccc1Br 2353451257 WHAYKGUBOOLUJB-CYBMUJFWSA-N 455.072 6.693 50 10 JKGE FC(F)(F)c1ccccc1[C@H](Cl)c1ccc(OCc2ccccc2)cc1Br 2361215434 TVMWXSDRSKJFIO-FQEVSTJZSA-N 455.701 7.375 50 10 JKGE Fc1c(Br)cc(Cl)c([C@H](Br)[C@H]2CCCCC2(F)F)c1Br 2362231292 VTUPTRCTTCIJPU-LHLIQPBNSA-N 499.390 7.266 50 10 JKGE CC[C@H](C)[C@H](c1ccccc1)[C@@H](Br)c1sc(Cl)cc1I 2363891656 JSHYADGVCLCCQT-COLVAYQJSA-N 483.640 7.272 50 10 JKGE Brc1cc(Br)cc(O[C@H]2C[C@H](Br)C23CCCCCC3)c1 2364223669 YRFJRMLDCJYGDK-GJZGRUSLSA-N 467.039 6.467 50 10 JKGE COc1c(Br)cc(C)c([C@@H](Br)[C@@H]2C[C@H]3CC[C@@H]2C3)c1Br 2365174958 BNNFGLLGMNUBLW-OXIWPEFWSA-N 467.039 6.401 50 10 JKGE COc1c(Br)cc(C)c([C@@H](Br)C(C)(C)C(C)(F)F)c1Br 2365187640 CBKUKPBPPXDJJZ-GFCCVEGCSA-N 478.997 6.646 50 10 JKGE Cc1cc(Br)c(F)c(Br)c1[C@H](Br)[C@H]1C[C@@H]2CC[C@H](C1)O2 2365191900 SFDYJYYZTAGCEA-ORXSELOVSA-N 471.002 6.053 50 10 JKGE C[C@H]1CCC[C@](CBr)(NC(=O)c2ccc(Cl)cc2I)C1 2365588591 LOMPZEFHAWJXNA-BONVTDFDSA-N 470.576 5.018 50 10 JKGE CC1(C)CCC[C@](CCl)(Cc2ccc(I)c(Br)c2)CC1 2377330551 FLBAFJTUIQZJEK-QGZVFWFLSA-N 469.632 6.812 50 10 JKGE CC(C)(C)OC(=O)N[C@H](C[S@@](C)(=O)=NC[C@@](C)(CBr)C(C)(C)C)C(C)(C)C 2380204030 WOIYWCTYJTZVHI-TXKHULRWSA-N 469.530 5.471 50 10 JKGE Cc1cc(Br)c(C(C)C)cc1[C@H](Br)c1cc(Cl)sc1Cl 2380946114 DEGAEDAZVMVGDR-AWEZNQCLSA-N 457.058 7.734 50 10 JKGE CC[C@@H](C)c1ccccc1O[C@H](C)C(=O)NNC(=O)COc1ccc(C(C)C)cc1Br 9873738 QFXVNJWXIWGDRR-IAGOWNOFSA-N 491.426 5.080 50 10 JKGE CC(C)(C)c1ccc([C@H]2C[C@@H]2C(=O)N/N=C/c2cc(Br)c(Br)o2)cc1 9948690 QLEQWJISSOLVRA-ZKCNJOEQSA-N 468.189 5.356 50 10 JKGE Cc1cc(C)cc(N/C(SCc2ccc(F)cc2)=C(/C#N)S(=O)(=O)c2ccccc2)c1 20325416 SVIOMIVBDCXMIG-WCWDXBQESA-N 452.576 5.954 50 10 JKGE N#C/C(=C\c1ccc(-c2cc(C(F)(F)F)ccc2Cl)o1)C(=O)Nc1cccc(C(F)(F)F)c1 33567829 COHFKUXBUOZFRT-XYOKQWHBSA-N 484.783 7.183 50 10 JKGE N#C/C(=C/c1ccc(-c2ccc(C(=O)O)cc2)o1)c1nc(-c2cc3ccccc3oc2=O)cs1 35518430 YONFTVAXHARZLE-WQRHYEAKSA-N 466.474 5.939 50 10 JKGE CCCCCN1C(=O)C(C#N)=C(C)/C(=C\c2ccc(OCc3ccc(Cl)cc3)c(OC)c2)C1=O 38603964 UPZCJPSCZHKDSW-HYARGMPZSA-N 478.976 5.710 50 10 JKGE CCOc1cc(/C=C2/C(=O)N(Cc3ccccc3)C(=O)C(C#N)=C2C)ccc1OCc1ccccc1F 38606033 NEDQHPPCHAXOSC-BUVRLJJBSA-N 496.538 5.596 50 10 JKGE COc1ccc(C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@H]3c2ccc(Cl)c(Cl)c2)cc1 38655676 PFYHFDRKCAZZLG-QFIPXVFZSA-N 467.308 5.439 50 10 JKGE COc1ccc(Br)cc1[C@@H]1C(C#N)=C(N)Oc2cc(OC(=O)c3ccc(F)cc3)ccc21 38660699 GZDZNXGDQURLPA-JOCHJYFZSA-N 495.304 5.034 50 10 JKGE CCCCOc1cccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)COc4ccc(CC)cc4)ccc32)c1 38685225 PTQZXRDMGSJKQU-GDLZYMKVSA-N 498.579 5.630 50 10 JKGE Cc1ccc2c(CC(=O)N/N=C3\CCCc4oc(C(=O)N5CCCC[C@@H]5C)c(C)c43)coc2c1C 40826576 QTMDOOXUQVJISR-VKHFSYIUSA-N 475.589 5.365 50 10 JKGE CCOc1ccc(/C=C(\C#N)C(=O)Nc2nc(-c3cccc(Br)c3)cs2)cc1OC 40927290 FTSWCZHEUSGQCT-CXUHLZMHSA-N 484.375 5.526 50 10 JKGE Fc1cc([C@@H](Br)c2cccc(I)c2)c(F)cc1Br 70474495 BBNDKVPLBRTBBZ-ZDUSSCGKSA-N 487.907 5.816 50 10 JKGE N#C/C(=C/Nc1cc(C(F)(F)F)cc(C(F)(F)F)c1)S(=O)(=O)c1ccc(Cl)cc1 100406105 CWGNUWDVBOIFML-DHDCSXOGSA-N 454.779 5.628 50 10 JKGE N#C/C(=C/Nc1ccc([N+](=O)[O-])cc1)c1nc(-c2cc3cc(Br)ccc3oc2=O)cs1 100479790 IXNJWCDXMRPDCC-RAXLEYEMSA-N 495.314 5.564 50 10 JKGE CCOC(=O)c1c(N/C=C(\C#N)c2nc(-c3ccc(OC)c(OC)c3)cs2)sc(C)c1C 102924736 DHXGGKRPNVJKLM-LFIBNONCSA-N 469.588 5.659 50 10 JKGE Cc1ccc(Br)cc1[C@H](Br)c1cc2[nH]c(=O)[nH]c2cc1Br 115747033 HFNYPXOJJHEUCS-AWEZNQCLSA-N 474.978 5.174 50 10 JKGE O=C(NC1CCCCC1)[C@@H](c1cccs1)N(C(=O)CCl)c1cccc(C(F)(F)F)c1 117428920 OHJRBNKZNOVTRL-LJQANCHMSA-N 458.933 5.529 50 10 JKGE Fc1ccc(C(CBr)(CBr)Cc2ccc(Br)cc2)cc1 118877414 PGXJZVWZULQVNN-UHFFFAOYSA-N 464.998 5.859 50 10 JKGE C=CCOc1cccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)/C=C\c4ccc(OC)cc4)ccc32)c1 205658970 ASMPUMNKWCOTJY-FWUNHMAASA-N 480.520 5.097 50 10 JKGE CCCCOC(=O)c1ccccc1NC(=O)/C(C#N)=C\N[C@H](CC)c1ccc2c(c1)CCCC2 217240324 PUMZNUUHWWOWDD-PFSTYLAZSA-N 459.590 5.609 50 10 JKGE N#C/C(=C/Nc1ccc(I)cc1)C(=O)Nc1ccc(Cl)c(C(F)(F)F)c1 217250433 NMIZNWVADVRRNT-KTKRTIGZSA-N 491.638 5.421 50 10 JKGE CC(C)(C)[Si](C)(C)OC[C@@]1(C)CCc2c(C(=O)O)nn(COCC[Si](C)(C)C)c2C1 219266998 FZWJSSNVSVIWFJ-QFIPXVFZSA-N 454.760 5.410 50 10 JKGE Cc1cc(Br)c([C@H](Br)CCOCC(F)(F)F)cc1Br 232344928 HPMRVMRFHOELED-SECBINFHSA-N 468.933 5.925 50 10 JKGE Clc1cc([C@@H](Br)Cc2ccccc2Cl)ccc1I 232386310 AHGYZXCLNGRTHY-NSHDSACASA-N 455.948 6.277 50 10 JKGE CC(C)Cn1c(CBr)nnc1-c1ccc(Br)cc1Br 232623334 MUUIGTIPXNLDPC-UHFFFAOYSA-N 451.988 5.021 50 10 JKGE COc1cc(F)c(Br)cc1[C@H](Br)c1sccc1Br 234916784 VNRSFQFEFBMKBN-NSHDSACASA-N 458.972 5.905 50 10 JKGE COc1ccc([C@H](Cl)c2ccc(F)cc2I)c(Br)c1 234999310 MCWYCEQOKFLXBO-AWEZNQCLSA-N 455.492 5.530 50 10 JKGE Cc1cc(Br)c([C@H](Br)C(C(F)(F)F)C(F)(F)F)cc1Br 235785372 QNCYFBYRCCGHJL-QMMMGPOBSA-N 492.877 6.697 50 10 JKGE Cc1c(-c2ccc(C=NNC(=O)c3ccccc3NC(=O)c3ccc(F)cc3)o2)cccc1[N+](=O)[O-] 254482287 LTXHOYRHYVHKTD-UHFFFAOYSA-N 486.459 5.319 50 10 JKGE Cc1ccc(C(C)C)c(OCc2ccc(C(=O)NN=Cc3cc(C)n(Cc4ccco4)c3C)cc2)c1 254698274 URWOVQFGVAEKGW-UHFFFAOYSA-N 483.612 6.521 50 10 JKGE O=C(CCn1c(-c2ccccc2)c(-c2ccccc2)c2ccccc21)NN=Cc1ccccc1O 254739287 YBKUIQMGHGOCIQ-UHFFFAOYSA-N 459.549 6.221 50 10 JKGE CCCC[C@@H](CC)CO[C@@]1(CI)CCCN(C(=O)OC(C)(C)C)C1 303740678 BZCQMNXTKQYROO-VQIMIIECSA-N 453.405 5.424 50 10 JKGE CCN(C[C@](C)(CBr)OCc1cccc(Br)c1)C(=O)OC(C)(C)C 303740729 DVCGPKWXPZPXTB-SFHVURJKSA-N 465.226 5.376 50 10 JKGE Cc1cc(Br)c([C@H](Br)c2cc(Cl)c(Br)s2)cc1Cl 310766499 LQVQMMXGPDVYAW-NSHDSACASA-N 493.873 7.373 50 10 JKGE C[C@H](COCc1ccccc1)Cn1c(CCl)nc2cc(I)ccc21 390452011 XRSJMACTYCBUFB-AWEZNQCLSA-N 454.739 5.233 50 10 JKGE C[C@@H]1[C@@H](C)N(Cc2ccccc2)[C@H](C)CN1c1ccc(CBr)c(Br)c1 404263268 FPPWKOUFERGMOF-BRWVUGGUSA-N 466.261 5.832 50 10 JKGE Clc1ccc(Cl)c([C@@H](Br)c2cc(Cl)c(Cl)c(Cl)c2Cl)c1 404672028 YSSXOMFZPSLDMU-SNVBAGLBSA-N 453.805 8.091 50 10 JKGE 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 605696400 MCSRTMAXJYKTHU-DTEUCFLUSA-N 486.857 8.963 50 10 JKGE in-vitro CC(C)[C@@H](CN(C)Cc1ccccc1)n1c(CCl)nc2ccc(F)c(Br)c21 689722695 GHCBAURBJDRWLV-GOSISDBHSA-N 452.799 6.006 50 10 JKGE Brc1sccc1[C@H](Br)c1csc2c(Br)cccc12 698554810 XLRNDPDYKMRGRQ-NSHDSACASA-N 467.045 6.972 50 10 JKGE CC[C@H](C)c1ccc([C@@H](Br)c2scc(Br)c2Br)cc1 705445651 ADGMTXGXUYBSFE-TVQRCGJNSA-N 467.064 7.271 50 10 JKGE CC(C)C(C)(C)CC(CBr)(CBr)c1cccc(Br)c1 713199856 MWRSNRMQEJKPOF-UHFFFAOYSA-N 455.072 6.549 50 10 JKGE BrC[C@H](Cc1cccc(Br)c1)Cc1ncc(Br)s1 713619548 XGSJMTTYSCUDJX-SNVBAGLBSA-N 454.025 5.464 50 10 JKGE C[C@H]1CCN(Cc2ccccc2)C[C@H]1n1c(CCl)nc2ccc(F)c(Br)c21 716302437 UHAHLSWHDXAAID-KBXCAEBGSA-N 450.783 5.760 50 10 JKGE CCOc1c(Cl)cc(/C=C(\C#N)C(=O)Nc2cccc(Cl)c2Cl)cc1Br 1084572199 HXQFMWCHUGFJMI-IZZDOVSWSA-N 474.569 6.354 50 10 JKGE Cc1c(C(=O)Nc2ccc(Oc3ccccc3)cc2)oc2c1C(=NNC(=O)c1ccccc1F)CCC2 1772744604 YEXAOMCEQUCDCO-UHFFFAOYSA-N 497.526 6.242 50 10 JKGE Cc1ccnc(NC(=O)c2oc3c(c2C)C(=NNC(=O)c2cccc4ccccc24)CCC3)c1 1772747349 GOUDWRJKMUSPBT-UHFFFAOYSA-N 452.514 5.167 50 10 JKGE Cc1ccc(C)c(NC(=O)[C@@H](C)Oc2cccnc2NC(=O)Nc2ccc(SC#N)cc2)c1 1858840915 AXEZBBGDRRAYAH-QGZVFWFLSA-N 461.547 5.322 50 10 JKGE N#CC1=C(N)Oc2c(c(C(F)(F)F)nn2Cc2c(F)cccc2Cl)[C@H]1c1ccccc1F 1865683752 OOZLORZTGPNSCU-INIZCTEOSA-N 466.797 5.100 50 10 JKGE N#CC1=C(N)Oc2c(c(C(F)(F)F)nn2Cc2ccccc2Cl)[C@@H]1c1ccc(Cl)cc1Cl 1865684981 BQVYXVDUBVELNX-MRXNPFEDSA-N 499.707 6.129 50 10 JKGE CC(C)c1ccc([C@H]2C(C#N)=C(N)Oc3c2c(-c2ccccc2)nn3Cc2c(F)cccc2Cl)cc1 1865685667 LEXDOJMBRXIDPA-VWLOTQADSA-N 498.989 6.732 50 10 JKGE CCCc1nn(-c2ccccc2Cl)c2c1[C@H](c1c(OC)ccc3ccccc13)C(C#N)=C(N)O2 1865688288 ONJJAFRZNQTXHC-DEOSSOPVSA-N 470.960 5.858 50 10 JKGE CCOc1c(OC)cccc1[C@@H]1C(C#N)=C(N)Oc2c1c(C)nn2-c1ccc(Cl)c(Cl)c1 1865693743 QXMOVNKXWAAGDK-HXUWFJFHSA-N 471.344 5.113 50 10 JKGE COc1ccc([C@H]2C(C#N)=C(N)Oc3c2c(-c2ccccc2)nn3-c2ccc(Cl)cc2)cc1OC 1865706643 BORHYNSRDGGGTA-QHCPKHFHSA-N 484.943 5.428 50 10 JKGE CCOC(=O)c1c(-c2ccc(C)c(C)c2)csc1NC(=O)/C(C#N)=C/c1ccc(OC)cc1 1866126412 PKYFDGUHETUUSN-DEDYPNTBSA-N 460.555 5.763 50 10 JKGE N#CSc1ccc(Nc2cc(N3CCO[C@H](c4cccnc4)C3)nc(Cc3ccccc3)n2)cc1 1868208240 XGJWTVRTNOGJAW-DEOSSOPVSA-N 480.597 5.357 50 10 JKGE N#C/C(=C(/O)c1cccc(Br)c1)c1nc(-c2ccc(Cl)c(Cl)c2)cs1 1872748579 DBCBVOVCHNFONG-LGMDPLHJSA-N 452.160 6.829 50 10 JKGE CC[C@H](C)[C@@H](/C(O)=C(\C#N)c1nc(-c2c[nH]c3ccccc23)cs1)N1C(=O)c2ccccc2C1=O 1872753126 IGPKTOCXNJZQIP-KGZDDHDCSA-N 482.565 5.795 50 10 JKGE COc1cc(-c2csc(/C(C#N)=C(\O)c3cccc(Oc4ccccc4)c3)n2)c(OC)cc1Cl 1872756549 PEQBQODDCUXMNC-QQTULTPQSA-N 490.968 7.223 50 10 JKGE CC(C)N1C(=O)c2ccc(/C(O)=C(\C#N)c3nc(-c4cc(Cl)ccc4Cl)cs3)cc2C1=O 1872758415 YYZKEJBNNBUHHS-JZJYNLBNSA-N 484.364 6.071 50 10 JKGE CCCCCCCOc1ccc(-c2csc(/C(C#N)=C/c3cc(Br)ccc3F)n2)cc1 1872791654 PURFDBISFGYCRT-XSFVSMFZSA-N 499.449 8.125 50 10 JKGE N#C/C(=C\c1c(OCc2ccccc2)ccc2ccccc12)c1nc(-c2ccc3c(c2)OCO3)cs1 1872792147 HFTSPXKMOJCTIV-OEAKJJBVSA-N 488.568 7.335 50 10 JKGE CCCCOc1ccc(/C=C(\C#N)c2nc(-c3cc(Cl)c(OC)cc3OC)cs2)cc1OC 1872793849 XFKIMIIVKMCSGM-LICLKQGHSA-N 485.005 6.732 50 10 JKGE C[C@]1(COc2c(Br)cc(CBr)cc2Br)CCCOC1 1877697736 WGPUNWVBPOPKDU-AWEZNQCLSA-N 457.000 5.302 50 10 JKGE BrCC(CBr)(C[C@]12C[C@H](CO1)C2)c1cccc(Br)c1 1879859581 FZFYQYBMJLNUFQ-WGRBQBNCSA-N 453.012 5.046 50 10 JKGE O=C(N[C@@H](CCBr)COCc1ccccc1)c1cccc(OCc2ccccc2)c1 1902794810 QFKGSFNGKIAFFN-QHCPKHFHSA-N 468.391 5.366 50 10 JKGE Clc1ccc(I)c(CC2(CBr)CC3(CCCO3)C2)c1 1912563011 BAPLTNBZWCFPRE-UHFFFAOYSA-N 455.561 5.211 50 10 JKGE CN(Cc1ccccc1)CC(C)(C)n1c(CCCl)nc2c(Br)cc(F)cc21 1912692054 CGGDZDKFISIBCM-UHFFFAOYSA-N 452.799 5.586 50 10 JKGE Clc1ccc(I)c(CN2CC3(CCCC3)C[C@H]2CBr)c1 1912790149 SKOKDBPYWMTTEL-AWEZNQCLSA-N 468.604 5.474 50 10 JKGE CCn1ncc(Br)c1[C@@H](Cl)c1sc(Br)cc1Br 1922895257 STYYYDSEKQLVDO-MRVPVSSYSA-N 463.420 5.580 50 10 JKGE Fc1ccc(C[C@@H](Br)c2sc(Br)cc2Br)cc1F 1922946610 SYQIURLIOHFRPT-SSDOTTSWSA-N 460.963 6.230 50 10 JKGE Clc1c(Br)sc(Br)c1[C@H](Br)[C@@H]1C[C@H]2C[C@H]1[C@@H]1C[C@@H]21 1923073867 BYISXSXRJAKGMH-AHJLXCMUSA-N 475.471 6.655 50 10 JKGE C[C@H](c1ccncc1Br)[C@H](Br)c1ccccc1I 1924035144 ZIRLGJPVCAYUMO-OTYXRUKQSA-N 480.969 5.688 50 10 JKGE Cc1cc(Br)sc1[C@@H](Br)c1ccccc1I 1939447168 RIYNXZVNLWGYAQ-NSHDSACASA-N 471.983 5.908 50 10 JKGE CCc1cc(Br)c([C@H](Cl)c2csc(Br)c2Br)s1 1945189104 JDYAFRZDTAZUTL-SECBINFHSA-N 479.484 6.988 50 10 JKGE Fc1cc(Br)c(Cl)cc1[C@@H](Br)c1cscc1OCc1ccccc1 1950321960 WGYFTLVFZCWXBP-GOSISDBHSA-N 490.619 7.366 50 10 JKGE CC(C)CN(Cc1ccccc1)S(=O)(=O)c1cc(CBr)sc1Br 1984648129 ARJSAOQTTIFKAR-UHFFFAOYSA-N 481.275 5.252 50 10 JKGE Cl[C@H](c1ccc(Br)cc1Br)c1ccccc1OCc1ccccc1 2024294626 MTWUDKHYLIQNCY-HXUWFJFHSA-N 466.600 7.119 50 10 JKGE Cc1nn(-c2ccccc2)c2sc(C(=O)NN=CC=C3N(C)c4ccccc4C3(C)C)cc12 2040448590 ZOKWXDRDOGZXDF-UHFFFAOYSA-N 455.587 5.423 50 10 JKGE COC1CC(CC[C@@H](Br)c2c(Br)sc(Br)c2Cl)C1 2042743705 ZHNHXKBDAHZSLZ-KAVNDROISA-N 481.475 6.568 50 10 JKGE FC1(F)CCOC[C@@H]1[C@H](Br)c1c(Br)sc(Br)c1Cl 2047875386 SZJLHFLITZLJRI-XINAWCOVSA-N 489.401 6.034 50 10 JKGE CC(C)(C)OC(=O)NCCSSCCN[C@@H]1CN(Cc2ccccc2)C2(CCCCC2)C1 2061262297 MLXXFPNZYCOCMO-QFIPXVFZSA-N 479.756 5.460 50 10 JKGE COCc1ccccc1[C@H](Br)c1cc(Br)c(Br)s1 2071275802 DFSIWCGSZVHXBJ-LBPRGKRZSA-N 455.009 5.904 50 10 JKGE Brc1cccc(CN2CC[C@@H]3C[C@@H](Br)CC[C@@H]32)c1Br 2092330018 DGKMLJRTNYPOGU-OSMZGAPFSA-N 452.028 5.350 50 10 JKGE O=C(c1cc(Br)c(Br)s1)N1CC2(CCC2)C[C@@H]1CBr 2095171664 WYIOFYILXGIOTL-MRVPVSSYSA-N 472.040 5.053 50 10 JKGE C[C@@H]1[C@@H](C)N(Cc2ccccc2)[C@H](C)CN1c1c(CCl)ccc(Br)c1Cl 2098116066 FQBPZZNEOYOKTH-BZUAXINKSA-N 456.255 6.329 50 10 JKGE CC(C)(C)OC(=O)N1CC[C@@H]([S@](C)(=O)=NCCCCCCCCCBr)C1 2106785432 OSNHAWXORSTCBA-QUGAMOGWSA-N 453.487 5.219 50 10 JKGE Cc1c(Br)sc([C@H](Cl)c2cc(F)c(F)cc2Cl)c1Br 2112344453 MGXIYFJZMNXHQP-SNVBAGLBSA-N 450.957 6.841 50 10 JKGE CC(C)[C@@H]1CC[C@H](Br)[C@@H](Cc2cc(Br)ccc2Br)C1 2118524900 OGILOSLAKGCBMC-JMSVASOKSA-N 453.056 6.590 50 10 JKGE COC[C@@H]1CC[C@@H](Cc2ccc(Br)cc2Br)C[C@@H]1Br 2127210118 KISDBJIDQPZCOQ-JKOKRWQUSA-N 455.028 5.580 50 10 JKGE CC(C)(C)[C@@H]1[C@@H](Br)CCN1C(=O)c1cc(Br)sc1Br 2128677173 BBGMYVQRUHALIF-WPRPVWTQSA-N 474.056 5.297 50 10 JKGE Cc1cc(Br)c(C)c([C@@H](Br)CC2CCCCC2)c1Br 2136378698 FROQVPSOKSDFKM-AWEZNQCLSA-N 453.056 7.235 50 10 JKGE Cc1c(Br)ccc([C@H](Br)C(C)(C)[C@@H]2CCCO2)c1Br 2138865079 QANKZFPSIOGWQR-JSGCOSHPSA-N 455.028 6.161 50 10 JKGE CCC(F)(F)C(C)(C)[C@H](Br)c1ccc(Br)c(C)c1Br 2138866039 OJMPFEWRCMIFJX-GFCCVEGCSA-N 462.998 7.028 50 10 JKGE Cc1cc(C)c([C@H](Cl)Cc2ccccc2I)c(C)c1Br 2143867313 AOOQIHONCAEMHO-CQSZACIVSA-N 463.584 6.502 50 10 JKGE Cc1oc(Br)cc1[C@@H](Br)c1cc(Br)c2c(c1)C[C@H](C)O2 2146625428 AHIIXKMGEDPPQG-WJWGPLDTSA-N 464.979 5.921 50 10 JKGE CC(C)(C)OC(=O)N[C@@H]1CCN(CCCCCCCCCBr)CCC1(F)F 2163058918 OWLQUAGQXAKACI-QGZVFWFLSA-N 455.428 5.736 50 10 JKGE O=C(c1cc(Br)c(Br)s1)N1CCC[C@@]2(CBr)CCC[C@@H]12 2165295171 XNSKVRSJJZDNFQ-BXUZGUMPSA-N 486.067 5.443 50 10 JKGE Cc1c(Cl)cc(COc2cccc(Br)c2CBr)cc1Br 2167383161 IULZUDYMVMOCOG-UHFFFAOYSA-N 483.425 6.647 50 10 JKGE Cc1c(Cl)cc([C@H](Cl)c2cc(Cl)c(Br)cc2F)cc1Br 2167387293 FXLUHRIUPXLTCI-AWEZNQCLSA-N 461.383 7.294 50 10 JKGE COc1cncc(COc2c(Br)cc(Br)cc2CBr)c1 2171938196 NJTDVTIHHHMVQF-UHFFFAOYSA-N 465.967 5.089 50 10 JKGE COc1cc(C)c([C@H](Br)c2nn(C)c(Br)c2C)cc1Br 2198733667 YOSWTMZFAORXDH-LBPRGKRZSA-N 466.999 5.055 50 10 JKGE COc1c(C)cc(Br)cc1[C@H](Br)c1cc(Br)ccc1F 2206563878 CQFFDADDUUPREU-CQSZACIVSA-N 466.970 6.152 50 10 JKGE Fc1cc(Br)c(Br)cc1[C@@H](Br)c1ccc(Cl)cc1 2218598509 UEUACXAQPQTIIJ-ZDUSSCGKSA-N 457.362 6.488 50 10 JKGE O=S1(=O)CCC[C@@H]1[C@@H](Br)c1c(Br)cc(Cl)c(Cl)c1Cl 2224313449 TZUASLMSOOTEAY-VXNVDRBHSA-N 471.425 5.423 50 10 JKGE Brc1ccc([C@H](Br)[C@@H]2C[C@H]3CCC[C@H](C3)C2)c(Br)c1 2225319217 TZQJYVOCVLBAEK-KZTGVZKYSA-N 451.040 6.864 50 10 JKGE O=C(c1cc(Br)c(Br)s1)N1CCC[C@@H](CCCBr)C1 2225815801 YZNCQWJIJHZOBZ-SECBINFHSA-N 474.056 5.300 50 10 JKGE Cc1cc([C@H](Cl)c2c(Br)cc(Cl)c(Cl)c2Cl)ccc1Br 2232513875 SOBTZAYHDUGLSK-LBPRGKRZSA-N 477.838 7.808 50 10 JKGE Fc1cc(F)c([C@H](Cl)c2cc(Cl)ccc2I)c(F)c1Br 2236102590 LLCMTFVYYVBBTN-GFCCVEGCSA-N 495.891 6.453 50 10 JKGE Cc1sc([C@@H](Br)c2c(F)cccc2I)cc1Br 2247959979 XANPOEFGVJVWHR-GFCCVEGCSA-N 489.973 6.047 50 10 JKGE Cc1c(Br)sc(C[C@H](Br)c2cccc(Br)c2)c1C 2254661362 SJCPICXOVODUPJ-LBPRGKRZSA-N 453.037 6.569 50 10 JKGE COC1([C@H](Br)c2c(Br)cc(C)c(Br)c2C)CC(C)C1 2266427887 AIDJDNPLLZGOLH-OOCCNLOMSA-N 455.028 6.080 50 10 JKGE Cc1sc(Br)c([C@H](Br)c2cc(F)c(Br)cc2Cl)c1C 2267747908 BSGSFEKPSYONEE-GFCCVEGCSA-N 491.445 7.167 50 10 JKGE COc1ccc(Br)cc1[C@H](Cl)c1ccc(Cl)c(I)c1 2268280041 TZGNVXPDGOFZSF-CQSZACIVSA-N 471.947 6.044 50 10 JKGE COc1ccc([C@H](Br)c2ccc(C)cc2Cl)cc1I 2269545729 QXIDISSRVQYONE-HNNXBMFYSA-N 451.529 5.746 50 10 JKGE Cc1oc(Br)cc1[C@@H](Cl)c1c(F)cc(Br)c(F)c1Br 2272855421 LVZURNGEOBNJAL-LLVKDONJSA-N 479.340 6.482 50 10 JKGE Brc1cccc(Br)c1CN1C[C@H](Br)C[C@H]2CCCC[C@H]21 2279527990 FIKCTXHCBFNMJE-XHBSWPGZSA-N 466.055 5.740 50 10 JKGE COC1([C@@H](Br)c2c(Br)cc(C)c(Br)c2C)CC(CF)C1 2281166581 YSFQYBKPJCRLBT-CUMGRINNSA-N 473.018 6.029 50 10 JKGE O=C(c1ccc(Cl)c(I)c1)N(CCBr)C1CCCCC1 2283658287 WUELOZLPAYQXKG-UHFFFAOYSA-N 470.576 5.114 50 10 JKGE O=C(N[C@H](CBr)CC1CCCC1)c1ccc(Cl)c(I)c1 2283662310 QJDXCGCTBQDIAQ-LBPRGKRZSA-N 470.576 5.018 50 10 JKGE Fc1cc(Br)c(F)c(Br)c1[C@@H](Br)[C@H]1CC2CCC1CC2 2288374585 VBWOHJYYPKQTAM-NQPVGWQBSA-N 472.993 6.752 50 10 JKGE CC12CC([C@@H](Br)c3c(F)cc(Br)c(F)c3Br)(CCO1)C2 2288479804 APHYTDBMEMGPNU-HSBZDZAISA-N 474.965 5.885 50 10 JKGE Brc1cc(Br)cc(C[C@H](Br)c2ccc3c(c2)COC3)c1 2295273707 BDRJNGFYQFXUAO-INIZCTEOSA-N 460.991 5.921 50 10 JKGE Brc1cc(Br)cc(C[C@@H](Br)C2C3(CCC3)C23CCC3)c1 2295331282 HJTIFWSJWSJDBC-CQSZACIVSA-N 463.051 6.488 50 10 JKGE COC(=O)c1ccsc1NC(=O)C(C#N)=Cc1cccn1Cc1ccc(Cl)cc1Cl 2295669905 IWTJJLYAFASHGQ-UHFFFAOYSA-N 460.342 5.237 50 10 JKGE COc1cc2c(cc1NC=C(C#N)c1nc(-c3ccc(C)c(C)c3)cs1)oc1ccccc12 2295934371 LPQNHYJPIXUBFO-UHFFFAOYSA-N 451.551 7.312 50 10 JKGE COc1cccc(-c2csc(C(C#N)=CNc3ccccc3OC(F)(F)[C@@H](F)Cl)n2)c1 2295948523 DEEZYFLQQYEFEK-HXUWFJFHSA-N 465.884 6.301 50 10 JKGE COc1ccc(C=C(C#N)c2nc(-c3cc4c(ccc5ccccc54)oc3=O)cs2)cc1O 2297213721 LTSICFNRYAYYSH-UHFFFAOYSA-N 452.491 5.848 50 10 JKGE COc1cc(C=C(C#N)C(=O)Nc2nc3ccccc3s2)ccc1OCc1ccccc1C 2297500340 GMKFPEQZRAIXRX-UHFFFAOYSA-N 455.539 5.738 50 10 JKGE Brc1cc(OCc2ccccc2)ccc1[C@H](Br)[C@@]12CCOC[C@@H]1C2 2299496575 UVQQCXRAVOYJAN-RYGJVYDSSA-N 452.186 5.891 50 10 JKGE C[C@@H](CC(F)(F)F)[C@H](Br)c1ccc(OCc2ccccc2)cc1Br 2299504790 QDJWOQMZMHNTCK-SJCJKPOMSA-N 466.135 7.053 50 10 JKGE CCOc1cc(C=C(C#N)C(=O)Nc2ccc(C)cc2)cc(Br)c1OCc1ccccc1 2313518924 ZQFKFGPOLBRKCU-UHFFFAOYSA-N 491.385 6.281 50 10 JKGE Cc1ccc(C)c(NC(=O)C(C#N)=Cc2c(Oc3ccccc3C)nc3c(C)cccn3c2=O)c1 2314533332 QCMWURCMIYSDOJ-UHFFFAOYSA-N 464.525 5.266 50 10 JKGE CC1=C(C#N)C(=O)N(C2CCCCC2)C(=O)C1=Cc1cn(-c2ccccc2)nc1-c1ccc(Cl)cc1 2314617475 YXALSRGIFGJNNA-UHFFFAOYSA-N 496.998 6.118 50 10 JKGE N#CC1=C(N)Oc2cc(OC(=O)C=Cc3ccccc3Cl)ccc2[C@@H]1c1c(F)cccc1Cl 2314634390 LTDKPDKDSRZLAG-QHCPKHFHSA-N 481.310 5.969 50 10 JKGE Fc1c(Br)cc(Cl)c([C@H](Br)[C@H]2CC[C@@H]3C[C@H]23)c1Br 2315441307 FXKQCHFQNMXTIA-WAYXCLAOSA-N 461.394 6.486 50 10 JKGE CC(C)c1ccc([C@H](Br)c2sc(Cl)cc2I)cc1 2316769157 HETVHRYJHHTRQT-ZDUSSCGKSA-N 455.586 6.614 50 10 JKGE COc1cc(C=C(C#N)c2ccccc2OC)ccc1OC(=O)[C@H](C)Oc1ccc(Cl)cc1Cl 2320506471 KIGRZOPDZVIHGE-INIZCTEOSA-N 498.362 6.448 50 10 JKGE Cc1cc(Cl)c([C@H](Br)c2sc(Br)cc2Br)c(Cl)c1 2327903905 WEISWHVZUIFARI-NSHDSACASA-N 493.873 7.373 50 10 JKGE COc1cccc(C=C(C#N)c2nc3cc(C)ccc3n2C)c1OCc1ccc(Br)cc1 2331019494 YKFYUMXVIIOJEZ-UHFFFAOYSA-N 488.385 6.296 50 10 JKGE CCc1ccc(-c2csc(C(C#N)=C(O)CCCOc3ccc(Cl)cc3Cl)n2)cc1 2331245949 LNOPROXNYCNUAX-UHFFFAOYSA-N 459.398 7.331 50 10 JKGE N#CC(=C(O)[C@@H]1CC(=O)N(Cc2ccccc2)C1)c1nc(-c2ccc(Oc3ccccc3)cc2)cs1 2331358736 IYGBLGBDNYFTLU-JOCHJYFZSA-N 493.588 6.444 50 10 JKGE Cc1ccc(C(C)(C)C)cc1-c1csc(C(C#N)=C(O)c2cc([N+](=O)[O-])cc([N+](=O)[O-])c2)n1 2331396920 NQAXSCOEEJUYBN-UHFFFAOYSA-N 464.503 6.182 50 10 JKGE CCCCCOc1ccc(C=C(C#N)c2nc(-c3ccc(Cl)c(Cl)c3)cs2)cc1OC 2331443982 VKWOEHUXTWLNHT-UHFFFAOYSA-N 473.425 7.759 50 10 JKGE Fc1cc(Br)c(F)c(Br)c1[C@H](Br)C[C@H]1CCC1(F)F 2335422973 ZAWAWIDZBIJOGI-PHDIDXHHSA-N 468.908 6.361 50 10 JKGE Cc1cc(Br)c(F)c(Br)c1[C@H](Br)CCCC(F)(F)F 2339657876 CHSNOEOXNRPFQH-SSDOTTSWSA-N 470.924 6.828 50 10 JKGE Cc1cc(Br)c([C@H](Br)[C@H]2CC[C@H]2C(C)(C)C)cc1Br 2343234641 ZONIFLFMQHPFCV-JVLSTEMRSA-N 453.056 7.028 50 10 JKGE Cc1scc([C@@H](Cl)c2c(Br)cc(F)c(Cl)c2F)c1Br 2343566607 MWZFSCWSTHIUTJ-SNVBAGLBSA-N 450.957 6.841 50 10 JKGE Cl[C@H]1C[C@@H](Cc2ccc(I)c(Br)c2)CC2(CCC2)C1 2349780574 GPSCZXWRHJHQGN-OLZOCXBDSA-N 453.589 6.174 50 10 JKGE CC[C@@H]1CN(C(=O)OCc2ccccc2)[C@H](CC)CN1C[C@](C)(CBr)C(C)(C)C 2352073103 RCDJSNOUTPMIRF-LGVFNWMJSA-N 467.492 5.945 50 10 JKGE Clc1ccc(I)cc1CN1CC[C@H](Br)CC12CCC2 2352425419 GNPASFAFGSSROS-LBPRGKRZSA-N 454.577 5.227 50 10 JKGE CC1(C)[C@H]2CO[C@]1([C@H](Br)c1c(Br)cc(Cl)c(Cl)c1Cl)C2 2359853075 VINCFJMGDFMZHU-PTHHYDLGSA-N 463.424 6.660 50 10 JKGE Fc1c(Br)cc(Cl)c([C@H](Br)[C@@]23COC[C@@H]2C3(F)F)c1Br 2362227589 HBTBIEZQZRSCAK-NRZXQICZSA-N 499.346 5.722 50 10 JKGE FC(F)(F)Oc1ccc([C@@H](Br)c2sc(Cl)cc2I)cc1 2364122023 LLWMZUXCLPEHFX-SNVBAGLBSA-N 497.501 6.389 50 10 JKGE Cc1cc(Br)c(F)c(Br)c1[C@H](Br)[C@H]1C[C@@]1(C)C(F)(F)F 2365190172 CCAIUANQOJKKFQ-AKGNYGMASA-N 482.935 6.684 50 10 JKGE Fc1cc(Cl)c([C@@H](Br)c2cc(Br)c(Cl)cc2F)c(Cl)c1 2366409035 PPBXYBYIGZWILF-ZDUSSCGKSA-N 465.346 7.172 50 10 JKGE Clc1ccc(C[C@@H]2CCCCCCCC[C@H]2Br)c(I)c1 2366716914 ZIIVENIBVHYAFH-XJKSGUPXSA-N 469.632 7.001 50 10 JKGE C[C@@H](Cl)C[C@H]1CCCCCN1Cc1ccc(I)c(Br)c1 2377336516 CFRODHQGKZCKPC-TZMCWYRMSA-N 470.620 5.816 50 10 JKGE Cc1cc(Br)c(C(C)C)cc1[C@@H](Br)c1cn(C)c(Br)n1 2380941634 IWGXOCZFAVJVTA-CQSZACIVSA-N 465.027 5.861 50 10 JKGE Brc1cnc(N2CC[C@H](C3CCC(Br)CC3)C2)c(Br)c1 2381252389 ALOPULPCUCERJH-CXQJBGSLSA-N 467.043 5.387 50 10 JKGE CCCCCCOc1ccccc1C(=O)NNC(=O)[C@H](C)Oc1ccc(Cl)cc1Cl 14032659 DYHZIYDCOATDJV-HNNXBMFYSA-N 453.366 5.181 50 10 JKGE CCCCOc1ccc(C(=O)NNC(=O)c2ccc(-c3ccccc3)cc2)cc1Br 14041241 BACZFSJLGIWTOZ-UHFFFAOYSA-N 467.363 5.370 50 10 JKGE CC(=C/c1ccc(C(C)C)cc1)/C=N/NC(=O)CCC(=O)Nc1cc(C(F)(F)F)ccc1Cl 27497932 UPHXRHHUOMDYHU-WIHXPNSESA-N 479.930 6.406 50 10 JKGE CCOC(=O)c1ccc(-c2ccc(/C=C(/C#N)C(=O)Nc3ccc(Br)cc3F)o2)cc1 33344045 UJVMSTBFOSPXNF-WJDWOHSUSA-N 483.293 5.571 50 10 JKGE COc1ccc(Oc2nc3ccccn3c(=O)c2/C=C(/C#N)c2nc3ccccc3s2)cc1 35395192 PHKVOPLOZPVGFI-PEZBUJJGSA-N 452.495 5.169 50 10 JKGE C[C@H](NC(=O)/C(C#N)=C\c1cn(-c2ccccc2)nc1-c1cccc2ccccc12)c1ccccc1 35519293 YILBQLFYDDILNF-AEPTXUNZSA-N 468.560 6.477 50 10 JKGE COc1ccc(CN(CCc2c[nH]c3ccccc23)C(=O)CN(C(=O)C(C)(C)CCl)C2CC2)cc1 35753709 YXHHUNZWCMGYQO-UHFFFAOYSA-N 496.051 5.004 50 10 JKGE CCCOc1ccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4ccc(OCC(C)C)cc4)ccc32)cc1 38650680 NFLXKSCYOJNFSX-NDEPHWFRSA-N 498.579 5.948 50 10 JKGE C=CCOc1ccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4ccc(OC(C)C)cc4)ccc32)cc1 38658147 POVYBJFDEGIGJZ-HHHXNRCGSA-N 482.536 5.476 50 10 JKGE Cc1cc(C)cc(OCC(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@@H]3c2c(F)cccc2Cl)c1 38680520 XOZCQDWQTPTTEC-XMMPIXPASA-N 478.907 5.299 50 10 JKGE CCCOc1ccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4ccc(OC)c(Cl)c4)ccc32)cc1 38687533 ACIIRDQMMMFLKY-RUZDIDTESA-N 490.943 5.575 50 10 JKGE Cc1cc(Oc2nc3ccccn3c(=O)c2/C=C(/C#N)C(=O)Nc2ccc(F)cc2)ccc1Cl 39858744 OWKCDPRDJZAEKE-SSZFMOIBSA-N 474.879 5.133 50 10 JKGE CC(C)(C)c1cc(Br)ccc1OCC(=O)N/N=C/c1ccc(Br)cc1 40902711 ZQONDUMRBOLDPZ-SSDVNMTOSA-N 468.189 5.038 50 10 JKGE CCCCCOc1ccc(/C=N/NC(=O)[C@H](C)Oc2ccc(-c3ccccc3)cc2)cc1OC 40959618 IUZKJNHRDPHHMU-ZOPZMGNLSA-N 460.574 5.849 50 10 JKGE COc1cc(/C=N\NC(=O)CC[C@@H](O)c2ccccc2)ccc1OCc1ccc(Cl)c(Cl)c1 58887932 IQSRKVLTOSDNNW-HSMHNTNPSA-N 487.383 5.545 50 10 JKGE CCN(CC)c1ccc(/C=N/NC(=O)c2cc3cc(Br)ccc3o2)cc1Br 59305341 CSECSIDTHOQZHM-FSJBWODESA-N 493.199 5.568 50 10 JKGE COc1cc(/C=C(/C#N)c2nc(-c3ccc(C)cc3)no2)ccc1OCc1cccc(C(F)(F)F)c1 72136733 XRFHLKOIZINXDN-MTJSOVHGSA-N 491.469 6.716 50 10 JKGE COc1cc(Br)c([C@H](Br)c2ccc(Cl)cc2Cl)cc1OC 109860077 VEVKBPWLLAJTPR-OAHLLOKOSA-N 454.973 6.257 50 10 JKGE Cc1cccc(C(CBr)(CBr)Cc2cc(Br)ccc2F)c1 118877641 BLSJNUAWBKMBCX-UHFFFAOYSA-N 479.025 6.167 50 10 JKGE FC(F)(F)c1ccc(Br)c([C@@H](Br)c2ccc(Br)cc2)c1 159836547 NVCZRWNTJMAVBA-ZDUSSCGKSA-N 472.924 6.715 50 10 JKGE CCOC(=O)c1c(-c2ccc(C)cc2C)csc1NC(=O)/C(C#N)=C\c1ccc(C(C)C)cc1 207205151 YIZOMTCXMFGZFH-HMAPJEAMSA-N 472.610 6.878 50 10 JKGE C[C@H](NC(=O)/C(C#N)=C\Nc1ccccc1Sc1ccccc1)C12CC3CC(CC(C3)C1)C2 217037279 CWPGREMQOCDBIG-PBAOGHKOSA-N 457.643 6.378 50 10 JKGE Fc1cc(Br)c(Cl)cc1[C@@H](Cl)c1ccc(I)c(Cl)c1 232345497 RADFRTLFAYENLS-ZDUSSCGKSA-N 494.356 6.828 50 10 JKGE COc1ccc(-c2ccc(C=NNC(=O)c3cc4c(ccc5ccccc54)o3)o2)c([N+](=O)[O-])c1 252621800 NGXWYRMOGNOAPV-UHFFFAOYSA-N 455.426 5.527 50 10 JKGE 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@]12C 254312581 XSXHTVGXMMGURA-YRRJAXFKSA-N 483.575 6.813 50 10 JKGE COc1cc(C=NNC(=O)c2cc3c(s2)CC[C@@H](C)C3)ccc1OC(=O)c1ccccc1F 254556805 PEKRRHZBMQNKLH-OAHLLOKOSA-N 466.534 5.004 50 10 JKGE C/C(C=NNC(=O)c1cc(-c2ccc(OCc3ccc(C)cc3)cc2)n[nH]1)=C/c1ccccc1 254570239 CWWLFPQIIRORMW-UTQJXBECSA-N 450.542 5.783 50 10 JKGE COc1ccc([C@@H](C)C=NNC(=O)c2cc(-c3ccc(C(C)C)cc3)nc3ccccc23)cc1 254736745 UNLQILWURIOAEM-FQEVSTJZSA-N 451.570 6.553 50 10 JKGE CCOc1cc(C=NNC(=O)COc2ccc(-c3ccccc3)cc2)ccc1OC(=O)c1ccco1 254835606 GSRWSRNSKAWYRM-UHFFFAOYSA-N 484.508 5.094 50 10 JKGE CCOC(=O)c1ccc(-c2ccc(C=NNC(=O)COc3ccccc3-c3ccccc3)o2)cc1 254874525 HWOSLZBZWNKCKN-UHFFFAOYSA-N 468.509 5.319 50 10 JKGE Cc1cccc(Br)c1[C@@H](Br)c1cc2c(cc1Br)OCC2 308414720 LPEYBLAYTXIJTB-INIZCTEOSA-N 460.991 5.939 50 10 JKGE CC(C)(C)OC(=O)N1C[C@@H](CBr)[C@@H](c2ccc(Cl)c(Br)c2)C1 382678922 ABQDOLOUXWYVAF-VXGBXAGGSA-N 453.602 5.448 50 10 JKGE Cc1ccc(Br)c([C@H](Br)c2c(C)cc(C)c(Br)c2C)c1 383441403 IFMANNHKQLUNKY-KRWDZBQOSA-N 461.035 6.930 50 10 JKGE Clc1cc([C@@H](Cl)c2cc(Br)ccc2Br)c(Cl)c(Cl)c1Cl 404873703 NZRKIFOFSJVUQJ-JTQLQIEISA-N 498.256 8.153 50 10 JKGE Clc1cc([C@H](Cl)c2ccc(Br)cc2Br)c(Cl)c(Cl)c1Cl 404944436 OOZJJOOYTIDHKI-SNVBAGLBSA-N 498.256 8.153 50 10 JKGE CC(C)(C)[Si](C)(C)OCc1cccc([C@H]2COCCCN2S(=O)(=O)c2ccccc2)c1 616648524 OWKUHRUKWGAMOW-HSZRJFAPSA-N 461.700 5.361 50 10 JKGE CO[C@](C)(COCc1ccccc1)Cn1c([C@@H](C)Cl)nc2cc(Br)cnc21 702787119 ZHLMBRYJSFTLLX-VLIAUNLRSA-N 452.780 5.116 50 10 JKGE CCOc1ccc(Br)cc1[C@H](Cl)c1scc(Br)c1Br 705466404 PPTPODUSFLSFSO-LBPRGKRZSA-N 489.454 6.763 50 10 JKGE CCOc1ccc([C@@H](Cl)c2scc(Br)c2Br)c(Br)c1 707834820 LAHIGDLTWPHMIO-GFCCVEGCSA-N 489.454 6.763 50 10 JKGE C[C@@H]1Cc2cc(Br)cc([C@@H](Br)c3ccc(Br)o3)c2O1 720030607 FALSMSVUOPUIDM-FUXBKTLASA-N 450.952 5.612 50 10 JKGE Cc1ccc([C@H](Br)c2ccc(I)c(Br)c2)c(C)c1 721594227 OAQRUIJWJOQQLY-OAHLLOKOSA-N 479.981 6.155 50 10 JKGE Cc1cc(C=NNC(=O)C23CC4CC(CC(C4)C2)C3)c(C)n1-c1ccc(Br)cc1 886007204 RWZVGKMQSIBHHY-UHFFFAOYSA-N 454.412 5.523 50 10 JKGE COc1cc2ccccc2cc1C(=O)NN=Cc1ccc(Oc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])cc1 1084202009 GKWCBRGCUNXIAL-UHFFFAOYSA-N 486.440 5.221 50 10 JKGE Cc1cc(Cl)ccc1NC(=O)C(=O)NN=Cc1cc(C)n(-c2ccc(Cl)c(Cl)c2)c1C 1084453009 NTPABJMNONLWTG-UHFFFAOYSA-N 477.779 5.452 50 10 JKGE O=C(NN=Cc1ccc(OC(=O)c2ccc(Cl)c(Cl)c2)cc1)c1cccc(Br)c1 1084563275 XBBJSUWSDDCRLH-UHFFFAOYSA-N 492.156 5.739 50 10 JKGE N#C/C(=C/c1cc(Cl)ccc1OCc1ccc(Cl)cc1Cl)C(=O)Nc1ccccc1 1084627211 MCPJHJWEZJJXDU-YVLHZVERSA-N 457.744 6.771 50 10 JKGE Cc1c(C(=O)Nc2cccc(Cl)c2Cl)oc2c1C(=NNC(=O)c1cccs1)CCC2 1772748167 AMNIMMYMCHLOFL-UHFFFAOYSA-N 462.358 5.679 50 10 JKGE N#CSc1ccc(NC(=O)Oc2cccc3c(NC(=O)c4ccc5c(c4)OCO5)cccc23)cc1 1858772145 OQQNXWVTERNHGJ-UHFFFAOYSA-N 483.505 6.005 50 10 JKGE CCCc1nn(Cc2c(F)cccc2Cl)c2c1[C@H](c1ccc(Cl)cc1)C(C#N)=C(N)O2 1865684173 VJYYRQKIXOIZJB-HXUWFJFHSA-N 457.336 5.548 50 10 JKGE COc1ccc(-c2nn(-c3ccc(Cl)cc3)c3c2[C@@H](c2ccccc2Cl)C(C#N)=C(N)O3)cc1 1865685798 MZWYZKGKTCEZLB-QFIPXVFZSA-N 489.362 6.073 50 10 JKGE Cc1nn(-c2ccc(Br)cc2)c2c1[C@H](c1ccc(Cl)c(Cl)c1)C(C#N)=C(N)O2 1865685882 OHMUNLOZBTUYOU-GOSISDBHSA-N 476.161 5.468 50 10 JKGE CCCc1nn(Cc2c(F)cccc2Cl)c2c1[C@@H](c1ccc(Cl)cc1Cl)C(C#N)=C(N)O2 1865685956 ORRSGNUUXJGQKS-FQEVSTJZSA-N 491.781 6.201 50 10 JKGE CCCOc1ccc([C@H]2C(C#N)=C(N)Oc3c2c(CCC)nn3-c2ccc(Cl)c(Cl)c2)cc1 1865694667 YUYDWZNMEKVAMA-QFIPXVFZSA-N 483.399 6.139 50 10 JKGE CCCc1nn(Cc2ccccc2)c2c1[C@@H](c1cc(Br)ccc1F)C(C#N)=C(N)O2 1865701890 HJSLSJPXWKFOJM-FQEVSTJZSA-N 467.342 5.004 50 10 JKGE CCc1nn(Cc2ccc(C)cc2)c2c1[C@@H](c1ccc(OCc3ccccc3C)cc1)C(C#N)=C(N)O2 1865702979 JWYPNPCEXABMTJ-NDEPHWFRSA-N 490.607 5.908 50 10 JKGE COc1cc([C@@H]2C(C#N)=C(N)Oc3c2c(C(F)(F)F)nn3-c2ccc(Cl)cc2)cc(Cl)c1O 1865707403 WGLRFZQLGSYJAG-OAHLLOKOSA-N 497.260 5.130 50 10 JKGE CCc1nn(Cc2cc(C)ccc2C)c2c1[C@@H](c1ccc(Br)cc1)C(C#N)=C(N)O2 1865715192 YTWJZALHGJASJN-NRFANRHFSA-N 463.379 5.091 50 10 JKGE COc1cc(/C=C(\C#N)c2nc3ccccc3s2)ccc1OCc1ccc(Cl)c(Cl)c1 1872726915 UNCVYWCGTZQZQF-LICLKQGHSA-N 467.377 7.255 50 10 JKGE CCc1ccc(-c2csc(/C(C#N)=C(\O)c3ccc4c(c3)C(=O)N(C3CCCCC3)C4=O)n2)cc1 1872744091 GQWAGRBDMVLPIN-BZZOAKBMSA-N 483.593 6.251 50 10 JKGE CCc1cccc(C)c1N1C[C@@H](/C(O)=C(\C#N)c2nc(-c3ccccc3OC)cs2)CC1=O 1872747040 LDWOAGJECZYHJG-IHCLVQKISA-N 459.571 5.535 50 10 JKGE CCCCOc1ccc(/C(O)=C(\C#N)c2nc(-c3ccc4c(c3)OCCO4)cs2)cc1OCC 1872751070 SIPTUIHBRVQNEO-PLRJNAJWSA-N 478.570 6.109 50 10 JKGE CCCCCCCOc1ccc(-c2csc(/C(C#N)=C(\O)Cc3ccc(OC)cc3OC)n2)cc1 1872752942 AAUFTPNQTALUSE-LCUIJRPUSA-N 492.641 7.212 50 10 JKGE COc1cc(Cl)c(C)cc1-c1csc(/C(C#N)=C(O)/C=C/c2ccc([N+](=O)[O-])cc2)n1 1872757313 ZUNUBDQIMIMXSH-UQIPZTAISA-N 453.907 6.195 50 10 JKGE CC[C@H](C)N1C(=O)c2ccc(/C(O)=C(\C#N)c3nc(-c4ccc(Cl)s4)cs3)cc2C1=O 1872758283 TYGIXRJNXYETPV-HSHIVQNRSA-N 469.975 5.869 50 10 JKGE COc1ccc(Cl)cc1-c1csc(/C(C#N)=C(\O)CNC(=O)c2ccc(Cl)cc2Cl)n1 1872758681 LIAHQTZFXRNCHV-SDXDJHTJSA-N 494.787 6.002 50 10 JKGE CCCCC1CCC(/C(O)=C(\C#N)c2nc(-c3ccc(OC)c(OC)c3OC)cs2)CC1 1872759291 JTIZNRDPFCMSOA-QOCHGBHMSA-N 456.608 6.625 50 10 JKGE CCOc1cc(/C=C(\C#N)c2nc(-c3cccc(OC)c3)cs2)ccc1OCc1ccccc1 1872781568 JPGUTKZXNBHWOW-OEAKJJBVSA-N 468.578 6.861 50 10 JKGE CC(C)[C@@H](CN(C)Cc1ccccc1)n1c(CCl)nc2c(Br)cc(F)cc21 1912683163 CXYDFMAROJVWDQ-LJQANCHMSA-N 452.799 6.006 50 10 JKGE CN(C[C@@H](Br)COCc1ccccc1)C(=O)c1cc(Cl)cc(Br)c1 1916383732 OKHAHITYFLWWJP-MRXNPFEDSA-N 475.608 5.155 50 10 JKGE Cc1c(Br)sc([C@@H](Br)c2cccc(C3CC3)c2)c1Br 1922934441 GPPMLUNZTXYTMJ-ZDUSSCGKSA-N 465.048 6.943 50 10 JKGE C[C@@H]1CC([C@H](Br)c2c(Br)sc(Br)c2Cl)C[C@@H](C)O1 1923065909 IYKOKQMHJXIUOP-KCRUCZTKSA-N 481.475 6.566 50 10 JKGE CC(C)(C)CC[C@@H](Br)c1c(Br)sc(Br)c1Cl 1923067554 FCIKORAVCIVDES-ZCFIWIBFSA-N 453.465 7.189 50 10 JKGE C[C@@H](C[C@@H](Cl)c1c(Br)sc(Br)c1Br)C(F)(F)F 1924614131 WQUAUDSQPAPQFI-IUYQGCFVSA-N 479.381 6.904 50 10 JKGE C[C@]1([C@@H](Br)c2c(Br)sc(Br)c2Br)CCOC1 1924614189 WZHSKMZDOXFUDK-XVKPBYJWSA-N 497.872 5.898 50 10 JKGE COc1cc(Br)ccc1[C@H](Cl)c1c(Cl)sc(Br)c1Cl 1925591232 VWTXSBOPRXRQBY-VIFPVBQESA-N 465.421 6.917 50 10 JKGE C[C@H]1COc2ccc([C@@H](Br)c3ccc(Br)cc3Br)cc21 1925758716 YEMVWOKMEBGZAX-XXFAHNHDSA-N 460.991 6.192 50 10 JKGE CCc1sc(Br)cc1[C@H](Br)c1ccc(Br)c(C)c1 2030216609 BHPGXPGWKNKHJB-CQSZACIVSA-N 453.037 6.628 50 10 JKGE COc1ccc([C@H](Cl)c2csc(Br)c2Br)cc1Br 2032959165 VWXAUQBYAZACCJ-NSHDSACASA-N 475.427 6.372 50 10 JKGE Cc1oc(Br)cc1[C@H](Br)c1cc(Br)c(Cl)cc1F 2036580882 WFPJCFOSDASWIA-LBPRGKRZSA-N 461.350 6.390 50 10 JKGE BrCc1c(Br)cccc1N1CC[C@H]2CN(Cc3ccccc3)C[C@H]2C1 2049666966 JGVLFXMPOFRVDH-ROUUACIJSA-N 464.245 5.302 50 10 JKGE Fc1cc(Cl)c([C@H](Br)c2cccc(I)c2)cc1Cl 2083779224 ZIGDTVDIAUHTMH-CYBMUJFWSA-N 459.911 6.221 50 10 JKGE BrCC[C@H]1CCCN(Cc2cccc(Br)c2Br)CC1 2093316484 ALNCDNIPVAWJPJ-GFCCVEGCSA-N 454.044 5.599 50 10 JKGE C[C@@H]1CCC[C@H]1CC(CBr)(CBr)c1ccccc1Br 2093454811 RJDFKPDWGMDHLD-OLZOCXBDSA-N 453.056 6.303 50 10 JKGE Clc1cc(Br)cc(C[C@H](CBr)c2cccc(Br)c2)c1 2110524125 OVDWWTGKFBLBQT-GFCCVEGCSA-N 467.426 6.586 50 10 JKGE Cc1c(Cl)cc(CC(CBr)(CBr)C2CCC2)cc1Br 2111086254 GUNJCSBEQNMJAF-UHFFFAOYSA-N 473.474 6.530 50 10 JKGE Cc1c([C@@H](Br)c2cc(Cl)c(Br)cc2F)nn(C)c1Br 2111926064 GPLOVKLOJBFBIF-JTQLQIEISA-N 475.381 5.530 50 10 JKGE COc1ccc([C@@H](Br)c2cc(I)ccc2F)cc1Cl 2113359185 YUONYPCOZNULPY-CQSZACIVSA-N 455.492 5.577 50 10 JKGE CC1(C)C[C@H](CBr)CN(Cc2ccc(Br)cc2Br)C1 2115955272 ZEOARXXIAWNTBG-LLVKDONJSA-N 454.044 5.455 50 10 JKGE CN(c1cc(CBr)sc1[N+](=O)[O-])[C@H]1C[C@@H]2CC[C@H](C1)N2Cc1ccccc1 2151242402 YFKBJGSJXRFQFD-BJWYYQGGSA-N 450.402 5.183 50 10 JKGE ClCc1nc2cc(Br)c(Cl)cc2n1Cc1cnc(Br)s1 2159864225 MKARDLICYHGLQH-UHFFFAOYSA-N 455.990 5.458 50 10 JKGE CC(C)CO[C@@H](C)CC(CBr)(CBr)c1cccc(Br)c1 2165513613 MAHBFZWKSWXMMW-ZDUSSCGKSA-N 471.071 5.928 50 10 JKGE FC(F)(F)[C@]1(CBr)CCN(Cc2c(Br)cccc2Br)C1 2167674697 LHUQPEYGEBPXAP-LBPRGKRZSA-N 479.960 5.361 50 10 JKGE CCOc1ccc([C@@H](Br)c2nn(C)c(Br)c2C)c(Br)c1 2168217341 ZSWZKZCWRSLEEL-GFCCVEGCSA-N 466.999 5.137 50 10 JKGE Fc1c(CC[C@H](Br)c2cccc(Br)c2)ccc(Cl)c1Br 2169756713 AJHHGPINNMWGTH-LBPRGKRZSA-N 485.416 7.073 50 10 JKGE Cc1nn(C)c(Br)c1[C@@H](Br)c1cc(Cl)c(Cl)c(Cl)c1Cl 2185752582 FNDDPPQFYGVOPB-QMMMGPOBSA-N 481.830 6.589 50 10 JKGE CC(C)NCc1cc(Br)c(OC[C@H]2C[C@@H](Br)C2)c(Br)c1 2196905702 TVVWIPUIBCHKDP-TXEJJXNPSA-N 470.043 5.262 50 10 JKGE Cc1cc(Br)c(C)c([C@@H](Cl)c2cccc(Br)c2F)c1Br 2201079140 QXSHYHFCLJDXTJ-AWEZNQCLSA-N 485.416 7.058 50 10 JKGE FC(F)Oc1cccc([C@H](Br)c2ccc(Br)cc2Br)c1 2203689353 YAYQGWZFVGYPFE-ZDUSSCGKSA-N 470.933 6.297 50 10 JKGE Cc1ccc(I)c(C(=O)N(Cc2ccccc2)C(C)(C)CBr)c1 2212706324 FQIWVENUORWDCS-UHFFFAOYSA-N 486.191 5.416 50 10 JKGE CCOCc1cc(Br)c([C@@H](Br)c2cc(C)c(Br)o2)s1 2224775314 SJBYCEAIKMDAKJ-NSHDSACASA-N 473.024 6.195 50 10 JKGE COc1cccc([C@@H](Br)c2cc(Br)c(Br)cc2F)c1 2225618112 XSMJKQLAYSOUJC-CQSZACIVSA-N 452.943 5.844 50 10 JKGE Brc1c([C@@H](Br)c2ccccc2OCc2ccccc2)ccc2c1CCO2 2229748292 XDMCEOVJFRFTQG-NRFANRHFSA-N 474.192 6.447 50 10 JKGE CCC12COC([C@@H](Br)c3c(Br)cc(Cl)c(Cl)c3Cl)(C1)C2 2232520536 OZJMXSIIDMLANX-HSBZDZAISA-N 463.424 6.805 50 10 JKGE COc1c(C(C)C)cc(Br)cc1[C@H](Br)c1nscc1Br 2233158881 FSYOXGYIAYUMGE-LBPRGKRZSA-N 484.051 6.284 50 10 JKGE Fc1cc(Br)c(Br)cc1[C@@H](Br)c1csc2c1CCCC2 2233992200 LOXXQWLARLOVMK-OAHLLOKOSA-N 483.038 6.775 50 10 JKGE CCCCCCCCCCCO[C@@]1(CI)CCCN(C(=O)OC(C)(C)C)C1 2239485803 ZTKBWGPXYYFQDN-JOCHJYFZSA-N 495.486 6.739 50 10 JKGE CCn1ncc(Br)c1[C@@H](Br)c1sc(C)c(C)c1Br 2253475206 VHSXYHUJLNCAFN-SNVBAGLBSA-N 457.029 5.591 50 10 JKGE Clc1cc([C@H](Br)Cc2cc(Br)cc(Br)c2)c(Cl)s1 2263451261 VXVUGCMVMNBTMM-SNVBAGLBSA-N 493.873 7.259 50 10 JKGE COc1c(C)cc(Br)c(C)c1[C@H](Br)c1cocc1Br 2270463422 IRQJTAWDYCIQKH-CYBMUJFWSA-N 452.968 5.914 50 10 JKGE COc1sccc1[C@@H](Br)c1c(F)cc(Br)c(F)c1Br 2272838021 SJGIJNYSNMPSBS-SECBINFHSA-N 476.962 6.044 50 10 JKGE Brc1cc(Br)cc(C[C@H](Br)[C@@]23CCC[C@H]2OCC3)c1 2277962978 OGAFEMNVCFSWOK-ZNMIVQPWSA-N 453.012 5.477 50 10 JKGE COc1cc(C)c(Cl)cc1[C@@H](Br)c1cc(Br)c(Br)s1 2277989420 GKHBADRJVUWHRP-GFCCVEGCSA-N 489.454 6.728 50 10 JKGE CCCCCCOc1ccc(OCCOc2ccc(C=C(C#N)C(=O)Nc3ccccc3)cc2)cc1 2293449692 BSWPKKFDPPMMLL-UHFFFAOYSA-N 484.596 6.649 50 10 JKGE Cc1ccc2nc(C(C#N)=Cc3ccc(OCc4ccc(F)cc4)c(Br)c3)[nH]c2c1 2294279899 DDMITAPMUMHYHH-UHFFFAOYSA-N 462.322 6.416 50 10 JKGE Brc1cc(Br)cc(C[C@H](Br)c2cc3c(s2)CCOC3)c1 2295346210 WRSJEWHFHVDISC-ZDUSSCGKSA-N 481.047 6.025 50 10 JKGE N#CC(=CNc1ccccc1SC(F)(F)F)c1nc(-c2ccc(Br)cc2)cs1 2295948553 JFUQVLOMAXPGMY-UHFFFAOYSA-N 482.350 7.161 50 10 JKGE N#CC(=Cc1ccc(-c2cccc(Cl)c2)o1)C(=O)Nc1ncc(Cc2cccc3ccccc23)s1 2296819083 RYACEFOMIUKHLG-UHFFFAOYSA-N 495.991 7.346 50 10 JKGE Cc1cc(C)c(NC(SCc2ccccc2F)=C(C#N)S(=O)(=O)c2ccccc2)c(C)c1 2297350167 MKJFRKUVVORHRE-UHFFFAOYSA-N 466.603 6.263 50 10 JKGE Brc1ccc(OCc2ccccc2)c([C@@H](Br)[C@]23C[C@H](CCO2)C3)c1 2299522660 MHMLBIPTNCAKLR-YSGRDPCXSA-N 452.186 6.033 50 10 JKGE FC1(F)CC[C@@H]2[C@@H]([C@H](Br)c3c(Br)sc(Br)c3Cl)[C@@H]21 2309458691 HZMXVQURPPZTQH-VLVWYGMNSA-N 485.413 6.654 50 10 JKGE Cc1cccc(COc2ccc(Br)cc2C=C(C#N)C(=O)N[C@@H](C)c2ccccc2)c1 2313738794 PJSPDLMCQADQSM-IBGZPJMESA-N 475.386 6.121 50 10 JKGE CC(C)(C[C@@H](Br)c1cc(Br)ccc1OCc1ccccc1)C(F)(F)F 2314451933 ITPGBZTVHRSOGI-MRXNPFEDSA-N 480.162 7.443 50 10 JKGE Brc1ccc(OCc2ccccc2)c([C@H](Br)[C@@H]2C[C@@]23CCCOC3)c1 2314491055 MHSBWQUSAYDRGT-SESVDKBCSA-N 466.213 6.281 50 10 JKGE Cc1cccc(C[C@@H]2SC(=C(C#N)C(=O)Nc3cccc(C)c3)N(c3ccc(C(C)C)cc3)C2=O)c1 2314592052 KTEUPQPQDDXNLK-MHZLTWQESA-N 495.648 6.492 50 10 JKGE CCCCCN1C(=O)C(=Cc2ccc(OCc3ccc(C)cc3)c(OCC)c2)C(C)=C(C#N)C1=O 2314609973 BENZAYRGQOTGCA-UHFFFAOYSA-N 472.585 5.755 50 10 JKGE CC1=C(C#N)C(=O)N(C2CCCCC2)C(=O)C1=Cc1ccc(OCc2ccc(Cl)cc2Cl)cc1 2314616800 KADNEDVMFNRVHE-UHFFFAOYSA-N 495.406 6.497 50 10 JKGE Cc1cc([C@@H](Cl)c2sc(Cl)cc2I)cc(C)c1Br 2316598876 IXLOPCYRBKMTCA-GFCCVEGCSA-N 476.004 6.714 50 10 JKGE COc1cc(C=C(C#N)c2ccccc2OC)ccc1OC(=O)c1ccc(-n2cccc2)cc1 2320506123 CDINVLLJLPGITO-UHFFFAOYSA-N 450.494 5.778 50 10 JKGE COc1ccc(C=NNC(=O)CSc2nc3ccccc3[nH]2)cc1OCc1cccc(Cl)c1 2321683313 RGNRGFHVQAPNFR-UHFFFAOYSA-N 480.977 5.046 50 10 JKGE O=C(NN=Cc1cccc(Cl)c1Cl)c1cc(-c2ccccc2)nc(N2CCCCC2)n1 2323758752 ZFWZEOPSXTYXLF-UHFFFAOYSA-N 454.361 5.205 50 10 JKGE BrCc1ccc(OCc2ccc(I)c(Br)c2)cc1 2325189516 MCNHGNKLVZIRNO-UHFFFAOYSA-N 481.953 5.528 50 10 JKGE CCCCOC(=O)c1ccccc1NC=C(C#N)C(=O)Nc1ccccc1Sc1ccccc1 2325336987 NINMDPCPMVJZGX-UHFFFAOYSA-N 471.582 6.253 50 10 JKGE N#CC(=Cc1cccc(Br)c1)C(=O)NC[C@H](c1c(F)cccc1Cl)N1CCCC1 2329694636 CXOPVVGKEKPHCJ-HXUWFJFHSA-N 476.777 5.102 50 10 JKGE CCn1c(C(C#N)=Cc2ccc(OCC(=O)Nc3ccccc3)c(OC)c2)nc2ccccc21 2331071724 GZRRBFRIMSERCV-UHFFFAOYSA-N 452.514 5.146 50 10 JKGE COc1cccc(-c2csc(C(C#N)=C(O)c3ccc4c(c3)C(=O)N(Cc3ccccc3)C4=O)n2)c1 2331246713 OPYQAHOQSDYREL-UHFFFAOYSA-N 493.544 5.565 50 10 JKGE CCCCc1ccc(-c2csc(C(C#N)=C(O)c3ccc4c(c3)C(=O)N(CC(C)C)C4=O)n2)cc1 2331255946 IXAZZHFEMRXWQO-UHFFFAOYSA-N 485.609 6.355 50 10 JKGE COc1ccc(-c2csc(C(C#N)=C(O)[C@H](CCSC)N3C(=O)c4ccccc4C3=O)n2)cc1 2331276310 HVBQOALKYURFGU-NRFANRHFSA-N 491.594 5.029 50 10 JKGE Cc1ccc(-c2csc(C(C#N)=C(O)c3ccc4c(c3)C(=O)N(CCc3ccccc3)C4=O)n2)cc1 2331312242 YEIQDHIPDOIDRB-UHFFFAOYSA-N 491.572 5.907 50 10 JKGE COc1cc(C)c(-c2csc(C(C#N)=C(O)CCc3nc4ccccc4[nH]c3=O)n2)cc1C(C)C 2331355988 AOYLDHCMZFUBQC-UHFFFAOYSA-N 486.597 5.913 50 10 JKGE COc1c(Cl)cc(Cl)cc1-c1csc(C(C#N)=C(O)Cc2ccc(Cl)cc2)n1 2331362522 USHRPTUDHOZVQS-UHFFFAOYSA-N 451.762 6.814 50 10 JKGE CCOc1ccc(C=CC(O)=C(C#N)c2nc(-c3c(C)c(C)cc(C)c3C)cs2)cc1OC 2331364471 GEIJGBKUTSVIAC-UHFFFAOYSA-N 460.599 6.957 50 10 JKGE CCOc1ccc(C=C(C#N)c2nc(-c3cc(Cl)cc(Cl)c3OC)cs2)cc1OC 2331467616 LGIKDJJKGLGRNE-UHFFFAOYSA-N 461.370 6.597 50 10 JKGE Cc1cc(Br)c([C@@H](Br)[C@]23C[C@H](CO2)C3(C)C)cc1Br 2334844620 ZUNZSSQWBSJIGG-PKPZWWHKSA-N 453.012 5.771 50 10 JKGE Brc1cc(OCc2ccccc2)ccc1[C@@H](Br)C1CC2(C1)CC21CCC1 2336041617 PMKGVSPMGKWGAL-QKTWPWEVSA-N 476.252 7.435 50 10 JKGE Clc1cc(I)c([C@H](Br)c2ccc3c(c2)CCCC3)s1 2338777131 ZJOLZDNFUVJJDC-CQSZACIVSA-N 467.597 6.369 50 10 JKGE Brc1cc(OCc2ccccc2)ccc1[C@H](Br)[C@@H]1COC2(CCC2)CO1 2338790017 JUPLRDOUYZBVOB-PMACEKPBSA-N 482.212 5.802 50 10 JKGE Cc1cc(Br)c(F)c(Br)c1[C@H](Br)C[C@@H]1CC[C@H]2C[C@@H]21 2339646041 NMIRAOASAHYJPJ-XWLWVQCSSA-N 455.003 6.531 50 10 JKGE Cc1cc(Br)c(F)c(Br)c1[C@H](Br)C12CC(C1)[C@H](C)O2 2339683365 CEOOBSDIPVOQDQ-XYBRAPFZSA-N 456.975 5.663 50 10 JKGE FC1(F)CC2(C1)C[C@@]2(CBr)Cc1ccc(Cl)cc1I 2341053488 YHAVMYFHMZIBOP-GFCCVEGCSA-N 461.515 5.688 50 10 JKGE COc1c(C)cc(Br)cc1[C@H](Br)c1csc(C)c1Br 2343561735 AEKHCJGFJSXCFO-ZDUSSCGKSA-N 469.036 6.383 50 10 JKGE Fc1cc(CBr)cc(F)c1OCc1cc(Br)cc(Br)c1 2362213723 HHKXTWXNJWYEOQ-UHFFFAOYSA-N 470.933 5.964 50 10 JKGE Fc1c(Br)cc(Cl)c([C@@H](Br)[C@@H]2Cc3ccccc32)c1Br 2362258231 OQLKXUFRVYBDME-RNCFNFMXSA-N 483.400 6.780 50 10 JKGE Clc1ccc(CN2CCC3(CCC3)[C@H](CBr)C2)cc1I 2362379109 KTVFAHOHDCHTSJ-CYBMUJFWSA-N 468.604 5.332 50 10 JKGE Cc1ccc(C)c([C@H](Br)c2c(C)cc(Br)c(F)c2Br)c1 2365181330 VQMOUEWOYNRKIK-AWEZNQCLSA-N 464.998 6.760 50 10 JKGE Cc1cc(Br)c(F)c(Br)c1[C@@H](Br)c1ccc(Cl)cc1F 2365186143 NRCNWMFYOVTRRW-LBPRGKRZSA-N 489.379 6.936 50 10 JKGE Cc1cc(Br)c(F)c(Br)c1[C@@H](Br)[C@@]12C[C@@H](CO1)C2(C)C 2365195894 GPQLASXKDMWBFY-RPAKXZQJSA-N 471.002 5.910 50 10 JKGE Cc1cc(Br)c(F)c(Br)c1[C@H](Br)C[C@@H]1CC(C)(C)CO1 2365218047 JGZULOHWAJHSKC-NXEZZACHSA-N 473.018 6.300 50 10 JKGE COc1cc(C)c(Cl)cc1[C@@H](Br)c1ccc(Cl)cc1I 2365595431 JTIQUHPTYWUQOP-HNNXBMFYSA-N 485.974 6.399 50 10 JKGE COc1cc(Cl)c(CBr)c(N2C[C@H](C)N(Cc3ccccc3)[C@@H](C)[C@H]2C)c1 2365814667 GFQNNKDVUMLIFW-YESZJQIVSA-N 451.836 5.731 50 10 JKGE CCCC(CBr)(CCC)COCc1c(Br)cccc1Br 2366162343 HIZCAIJURHRUQT-UHFFFAOYSA-N 471.071 6.710 50 10 JKGE COCc1ccc([C@H](Br)c2c(C)cc(Br)c(F)c2Br)s1 2368081314 FARKKHYTVJPXQQ-LBPRGKRZSA-N 487.026 6.351 50 10 JKGE N#C/C(=C\c1ccc(OCc2ccccc2)c(Br)c1)C(=O)Nc1ccccc1[N+](=O)[O-] 12590287 NZDQBQRHJOHEOW-LDADJPATSA-N 478.302 5.482 50 10 JKGE COc1cc(/C=N/NC(=O)C=C(Sc2ccccc2)Sc2ccccc2)cc([N+](=O)[O-])c1O 21327026 JGAVALSFOZTSNJ-BUVRLJJBSA-N 481.555 5.185 50 10 JKGE CCn1c(SCC(=O)N/N=C/C(Cl)=C\c2ccccc2)nnc1-c1ccc(Cl)cc1 35057230 WHTXCPVCPYUJRY-ZDETVGHWSA-N 460.390 5.092 50 10 JKGE Cc1ccccc1NC(=O)/C(C#N)=C\c1ccccc1OCCOc1ccc(C2CCCCC2)cc1 35242576 AIBQWMJWSFDCSX-MEFGMAGPSA-N 480.608 7.046 50 10 JKGE CC(C)c1ccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)Cc4ccc(Cl)cc4)ccc32)cc1 38649667 HIILTIIVGYWOKW-AREMUKBSSA-N 458.945 5.830 50 10 JKGE CCOc1ccccc1[C@@H]1C(C#N)=C(N)Oc2cc(OC(=O)COc3ccc(Cl)c(C)c3)ccc21 38650528 PCCKGKOHCHUXHN-SANMLTNESA-N 490.943 5.250 50 10 JKGE CCCCOc1ccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4ccccc4F)ccc32)cc1 38650858 OIMFIYMLRPMAPQ-VWLOTQADSA-N 458.489 5.442 50 10 JKGE Cc1cccc(NC(=O)/C(C#N)=C\c2c(Oc3ccc(C(C)(C)C)cc3)nc3c(C)cccn3c2=O)c1 39858524 RHUXGUGRRPGKHE-FXBPSFAMSA-N 492.579 5.947 50 10 JKGE N#C/C(=C\c1ccc(-c2ccc(Cl)c(Cl)c2)o1)C(=O)Nc1ccccc1C(F)(F)F 39884742 KMYHJFYTSVKDSH-UKTHLTGXSA-N 451.231 6.818 50 10 JKGE N#C/C(=C\c1ccc(-c2ccccc2[N+](=O)[O-])o1)C(=O)Nc1cc(C(F)(F)F)cc(C(F)(F)F)c1 39884891 NWLXUFQJDRALSM-KPKJPENVSA-N 495.335 6.438 50 10 JKGE Cc1cccc(NC(=O)/C(C#N)=C/c2c(Oc3ccc(C(C)(C)C)cc3)nc3c(C)cccn3c2=O)c1 39992821 RHUXGUGRRPGKHE-HEHNFIMWSA-N 492.579 5.947 50 10 JKGE CCOc1cc(/C=N\NC(=O)CC[C@H](O)c2ccccc2)ccc1OCc1cccc2ccccc12 58890366 SPZCOFPFLXQUQZ-NMBDKVOKSA-N 482.580 5.781 50 10 JKGE COc1ccc(CNC(=O)/C(C#N)=C/c2cc(Br)ccc2OCc2ccccc2F)cc1 59224731 AYBNJPICVISQCE-UDWIEESQSA-N 495.348 5.399 50 10 JKGE COc1cccc([C@H](C(=O)NC2CCCCC2)N(Cc2ccc(Cl)cc2)C(=O)CCl)c1 97915132 ZLUYAJXFXPWKDC-HSZRJFAPSA-N 463.405 5.106 50 10 JKGE COc1cc(/C=C(/C#N)C(=O)NC(C)C)ccc1OC(=O)CCCOc1ccc(Cl)cc1Cl 98027941 ZMZDUSXTNMOYHN-BOPFTXTBSA-N 491.371 5.198 50 10 JKGE CCCCCCCCCCOc1ccc(C(=O)N/N=C/c2cc(Cl)cc(Cl)c2OC)cc1 103738118 CGEFCBSSVFXNKK-MTDXEUNCSA-N 479.448 7.285 50 10 JKGE COc1cc(S(=O)(=O)Nc2ccc(C)cc2)ccc1N/C=C(/C=O)c1nc2cc(Cl)ccc2o1 108810979 OFQSWVVCBNNNIB-SSZFMOIBSA-N 497.960 5.251 50 10 JKGE Clc1ccc(C(CBr)(CBr)Cc2ccc(Br)s2)cc1 118670974 MLONVNHCFCMDAL-UHFFFAOYSA-N 487.482 6.434 50 10 JKGE Fc1cc(Br)ccc1CC(CCl)(CCl)c1ccccc1Br 118874997 PAHXOUCJWYZIHQ-UHFFFAOYSA-N 454.992 6.309 50 10 JKGE Fc1ccc(-n2c(CCl)nc3cc(Cl)c(Cl)cc32)c(I)c1 125200074 GFKAYWJEMKRMTN-UHFFFAOYSA-N 455.485 5.815 50 10 JKGE CCn1c(=O)oc2cc([C@@H](Br)c3cc(Br)c(Br)s3)ccc21 128559523 UUVXHIDXOHMENG-GFCCVEGCSA-N 496.018 5.685 50 10 JKGE CC[C@@H]1CCC[C@@H](O[C@@](C)(CI)c2ccccc2Br)C1 162383595 NXAIQKLSUHQCFK-CPUCHLNUSA-N 451.186 6.085 50 10 JKGE CC(C)(C)[Si](C)(C)Oc1ccc2c(c1)CC(=O)N2C1CCN(C(=O)OCc2ccccc2)CC1 205050855 KKXVATMRFMMFDW-UHFFFAOYSA-N 480.681 5.761 50 10 JKGE COc1ccc(/C=C/C(=O)Oc2ccc(/C=C(/C#N)c3nc(-c4ccco4)cs3)cc2)cc1 210607438 NYZITXKNBSSPAX-KOAZRBSPSA-N 454.507 6.095 50 10 JKGE CCCOc1ccc([C@@H](Br)c2ccc(Br)cc2F)cc1Br 229008533 MMDACQXIPRXBJA-MRXNPFEDSA-N 480.997 6.624 50 10 JKGE Clc1ccc([C@H](Br)c2ccc(I)c(Cl)c2)c(Cl)c1 232343730 XHOOXFXDHIOUGU-CYBMUJFWSA-N 476.366 6.736 50 10 JKGE O=[N+]([O-])c1ccc(C[C@H](Br)c2cc(Br)sc2Br)cc1 232474007 WBIRLKMAGONBJY-JTQLQIEISA-N 469.980 5.860 50 10 JKGE Clc1ccc(I)c([C@H](Cl)Cc2cccc(Br)c2)c1 236029570 TZTDEIWCNWUBNT-CYBMUJFWSA-N 455.948 6.230 50 10 JKGE Clc1ccc(Cl)c([C@H](Cl)c2cc(Br)ccc2I)c1 236031872 LNUWCIVDXUATSQ-ZDUSSCGKSA-N 476.366 6.689 50 10 JKGE CC(=NNC(=O)[C@@H]1C[C@@H]1c1ccc(C(C)(C)C)cc1)c1cccc(NC(=O)c2ccccc2F)c1 252604110 FWPPNHQXHLKRAG-JWQCQUIFSA-N 471.576 6.019 50 10 JKGE CCCCCCCCCCCCCCCC(=O)NN=Cc1ccccc1OCc1ccccc1 254490204 RRHAVERGUCPMAV-UHFFFAOYSA-N 464.694 8.197 50 10 JKGE Cc1ccc(-c2nnc(SCC(=O)NN=C/C=C\c3ccco3)n2-c2ccc(C)cc2)cc1 254559461 DNUAQFBYMGZULT-WYCVUTMGSA-N 457.559 5.052 50 10 JKGE CC(=NNC(=O)c1ccc(COc2ccccc2-c2ccccc2)cc1)c1cccc(C(F)(F)F)c1 254852608 HIYQLGRAWPTGNL-UHFFFAOYSA-N 488.509 7.105 50 10 JKGE C[C@@H]1CCC[C@@](CBr)(NC(=O)c2cc(Cl)ccc2I)C1 300470577 CDXHANVERJCEMM-MEBBXXQBSA-N 470.576 5.018 50 10 JKGE O=C1Cc2cc([C@@H](Br)c3csc(Br)c3)c(Br)cc2N1 302300270 DUSPEIFSLHNDDA-ZDUSSCGKSA-N 465.992 5.252 50 10 JKGE C[C@@H](Cl)c1nc2cc(I)c(F)cc2n1CC[C@@H](C)N(C)Cc1ccccc1 379614093 YBOWCFKRYPHMCY-HUUCEWRRSA-N 499.799 5.990 50 10 JKGE C[C@H](Br)C[C@H]1CCCCN1C(=O)c1cc(Br)ccc1Br 380208979 GNYTTWHUOACNDN-CMPLNLGQSA-N 468.027 5.380 50 10 JKGE Cc1c(Br)cc(CCl)cc1S(=O)(=O)N(Cc1ccccc1)Cc1ccccc1 393647259 VKYITRGZKFXJNK-UHFFFAOYSA-N 478.839 5.887 50 10 JKGE Fc1cc(Br)c([C@H](Cl)c2cc(Br)c(Br)s2)c(F)c1F 398535987 UPPOMOBZZZQJGU-MRVPVSSYSA-N 499.371 6.781 50 10 JKGE COc1cc(F)c(Br)cc1[C@H](Br)c1nscc1Br 404805400 NJFSMGPCJSGMAH-JTQLQIEISA-N 459.960 5.300 50 10 JKGE COC1CCC(C(CBr)(CBr)c2ccccc2Br)CC1 686330142 RLLWWXPGNPZFNZ-UHFFFAOYSA-N 469.055 5.682 50 10 JKGE COc1ccc([C@H](Br)c2ncsc2Br)c(OC)c1Br 698650635 CMIULHYARXYYJG-QMMMGPOBSA-N 471.996 5.170 50 10 JKGE C[C@H](Cl)c1nc2ccc(F)c(F)c2n1CC1(N(Cc2ccccc2)Cc2ccccc2)COC1 705607586 ZABOIERHHQIAOF-IBGZPJMESA-N 481.974 6.086 50 10 JKGE Brc1ccc([C@@H](Br)c2ccc(C3CC3)s2)c(Br)c1 707924836 KMKFXQCIHQVPII-CQSZACIVSA-N 451.021 6.635 50 10 JKGE COc1ccc(Oc2ccc(F)c(Cl)c2CBr)cc1I 712926847 UNDFFGVXPDPTBQ-UHFFFAOYSA-N 471.491 5.780 50 10 JKGE CC(C)(C)c1nc(-c2ccc(I)c(Br)c2)oc1CCl 721322660 HADCPDWLHHYCGP-UHFFFAOYSA-N 454.533 5.745 50 10 JKGE Cc1cc([C@@H](Br)c2cccc(F)c2I)c(C)cc1Cl 721684693 QGRDMVCJECPVGL-AWEZNQCLSA-N 453.520 6.185 50 10 JKGE CCCCCCCn1c(=O)c(C(=O)NN=Cc2cccc(Br)c2)c(O)c2ccccc21 725325941 QZUKMNADRCFZRQ-UHFFFAOYSA-N 484.394 5.204 50 10 JKGE CCOc1ccc([C@@H](O)CCC(=O)NN=Cc2ccccc2OCc2ccc3ccccc3c2)cc1 1083914254 FFTRXNCCRLRZNW-NDEPHWFRSA-N 482.580 5.781 50 10 JKGE COc1ccc(C(=O)Oc2cccc(/C=C(/C#N)C(=O)Nc3ccc(Cl)c(Cl)c3)c2)cc1 1084318925 SUQDMIQYTBCVOU-BOPFTXTBSA-N 467.308 5.767 50 10 JKGE CCOc1cc(C(=O)Oc2cccc(/C=C(\C#N)c3ccc(OC)cc3)c2)cc(OCC)c1OCC 1615066754 MKNSICUQIWPJEN-HZHRSRAPSA-N 487.552 6.175 50 10 JKGE COc1cc(C=NNC(=O)COc2ccccc2C(C)C)ccc1OCc1ccccc1Cl 1772754585 LDDHETNQGJVPEJ-UHFFFAOYSA-N 466.965 5.580 50 10 JKGE COc1ccc(-c2nn(Cc3cccc(Cl)c3)c3c2[C@H](c2ccccc2)C(C#N)=C(N)O3)cc1 1865680298 GLOVIAQNASUZEL-HSZRJFAPSA-N 468.944 5.479 50 10 JKGE COc1ccc(-c2nn(Cc3cc(C)ccc3C)c3c2[C@H](c2cc(C)ccc2O)C(C#N)=C(N)O3)cc1 1865687528 TWRMNYXBCLUVCD-AREMUKBSSA-N 492.579 5.456 50 10 JKGE CCCc1nn(Cc2ccccc2Cl)c2c1[C@@H](c1cc(Cl)ccc1O)C(C#N)=C(N)O2 1865689234 NBMRVHZRIXQMKE-FQEVSTJZSA-N 455.345 5.114 50 10 JKGE CCCCOc1ccc([C@@H]2C(C#N)=C(N)Oc3c2c(CC)nn3-c2ccc(Cl)cc2)cc1OC 1865697144 OCGHSIVIUGTRFJ-HSZRJFAPSA-N 478.980 5.494 50 10 JKGE CC[C@@](C)(NC(=O)Cc1nc(-c2cccc(Cl)c2)oc1C)C(=O)Nc1ccc(SC#N)cc1 1866666228 WCJGNVAVTMIMGI-XMMPIXPASA-N 482.993 5.343 50 10 JKGE CCc1nc(Nc2ccc(SC#N)cc2)cc(N2CCO[C@@H](c3cccc(Cl)c3)C2)n1 1868277892 LRSGHRDDPREZHI-HXUWFJFHSA-N 451.983 5.587 50 10 JKGE Cc1c([N+](=O)[O-])cc(/C(O)=C(\C#N)c2nc(-c3ccc4ccccc4c3)cs2)cc1[N+](=O)[O-] 1872745061 AQBZSNOJGLBBJB-PYCFMQQDSA-N 458.455 6.038 50 10 JKGE CCOc1ccc(-c2csc(/C(C#N)=C(\O)CCCOc3ccc(Cl)cc3Cl)n2)cc1 1872747535 HTVUJQUSQJXGFP-UZYVYHOESA-N 475.397 7.167 50 10 JKGE N#C/C(=C(/O)CCN1C(=O)c2cccc([N+](=O)[O-])c2C1=O)c1nc(-c2cccc3ccccc23)cs1 1872751747 DPYWGLOYXYDRBD-QOCHGBHMSA-N 496.504 5.350 50 10 JKGE COc1c(Cl)cc(Cl)cc1-c1csc(/C(C#N)=C(\O)Cc2ccc(NC(C)=O)cc2)n1 1872754399 QXGFKHQGEKERMK-JZJYNLBNSA-N 474.369 6.119 50 10 JKGE CCOc1ccc(-c2csc(/C(C#N)=C(\O)CNC(=O)c3ccc(Cl)cc3)n2)c(OCC)c1 1872755493 QHHDOPYQGPNACV-VZCXRCSSSA-N 483.977 5.484 50 10 JKGE COc1cc(OC)c(-c2csc(/C(C#N)=C(\O)Cc3ccccc3[N+](=O)[O-])n2)cc1Cl 1872756735 XXFLWFAQHDIHBM-JXAWBTAJSA-N 457.895 5.424 50 10 JKGE COc1ccc(-c2csc(/C(C#N)=C(\O)c3ccc(Cl)cc3[N+](=O)[O-])n2)c(OC)c1OC 1872759591 TUGQQGDVKWFQLI-JXAWBTAJSA-N 473.894 5.347 50 10 JKGE CCCCCOc1ccc(/C=C(\C#N)c2nc(-c3ccc(OC)c(OC)c3)cs2)cc1OCC 1872781422 FRSCEZZANQMDIB-KGENOOAVSA-N 478.614 6.859 50 10 JKGE N#C/C(=C\c1cccc(OCc2ccccc2)c1)c1nc(-c2ccc3c(c2)OCCO3)cs1 1872792210 LNEDVRRWEASJCD-LPYMAVHISA-N 452.535 6.224 50 10 JKGE O=C(c1cccc(F)c1I)N(Cc1ccccc1)C1(CCl)CCC1 1915768867 VCKHHQAGYKSXCQ-UHFFFAOYSA-N 457.714 5.234 50 10 JKGE Cc1c(Br)sc([C@@H](Br)c2ccc(F)cc2F)c1Br 1922955413 ZAXNYJFNOPGMLR-JTQLQIEISA-N 460.963 6.344 50 10 JKGE Cc1cc([C@@H](Br)c2c(Br)sc(Br)c2Cl)ccc1Cl 1923055850 ZSKSFCQTVXRUIS-SECBINFHSA-N 493.873 7.373 50 10 JKGE CC1(C)CC[C@@H]([C@H](Br)c2c(Br)sc(Br)c2Cl)C1 1923072778 RMJHRUNHDRUZGX-SVRRBLITSA-N 465.476 7.189 50 10 JKGE C[C@@H]1CCC[C@H]([C@H](Cl)c2c(Br)sc(Br)c2Br)C1 1924605765 WVJWIUIWQFRIJA-FWWHASMVSA-N 465.476 7.142 50 10 JKGE Brc1cccnc1C[C@@H](Br)c1c(Br)cccc1Br 1924879928 VDDCNNOAMYPIRY-LLVKDONJSA-N 498.838 6.048 50 10 JKGE FC1(F)[C@H]([C@H](Br)c2c(Cl)sc(Br)c2Cl)C12CCCC2 1925567539 VZOHSDYSLWFOKW-HTRCEHHLSA-N 454.989 7.079 50 10 JKGE Clc1cc(Br)c([C@@H](Br)c2nscc2Br)s1 1933597441 OPMATWDTGYYSIM-LURJTMIESA-N 452.418 5.867 50 10 JKGE Clc1ccc(C[C@@H](Br)c2csc(Br)c2Br)cc1 1945187097 REMCLMDCNAAJQS-SNVBAGLBSA-N 459.428 6.605 50 10 JKGE ClCc1nc2cc(I)ccc2n1[C@@H]1CC[C@H]1OCc1ccccc1 1950410609 ZPPCQSCGOZSGHD-QZTJIDSGSA-N 452.723 5.300 50 10 JKGE Cc1cc(Br)c([C@@H](Br)c2c(Cl)cccc2Br)s1 2003558325 SSGNOYFGHLWSRV-NSHDSACASA-N 459.428 6.719 50 10 JKGE CCN(CCCOCc1ccccc1)c1cc(C)cc(Br)c1CBr 2005453269 VKKCEQJTRHDLLJ-UHFFFAOYSA-N 455.234 6.086 50 10 JKGE CO[C@@H]1CC[C@H]([C@@H](Br)c2c(Br)sc(Br)c2Cl)C1 2006339784 GJBITQVBZLDYGT-SHYZEUOFSA-N 467.448 6.178 50 10 JKGE CCCc1ccc([C@H](Br)c2ccc(Br)cc2Br)s1 2027133262 URZDCXVOZAYSCS-CQSZACIVSA-N 453.037 6.710 50 10 JKGE FC12CCC([C@@H](Br)c3c(Br)sc(Br)c3Cl)(CC1)C2 2039756219 RQEBOSPBUYSWHH-RKWZHAFESA-N 481.450 7.035 50 10 JKGE COc1cccc(C(C#N)=Cc2cn(-c3ccccc3)nc2-c2ccc(-c3ccccc3)cc2)c1 2040736942 VYIDHDYMAFIHDW-UHFFFAOYSA-N 453.545 7.279 50 10 JKGE Clc1cccc(Cl)c1C[C@H](Br)c1csc(Br)c1Br 2042856275 FEAKIQYEFIDDCR-QMMMGPOBSA-N 493.873 7.259 50 10 JKGE Clc1c(Br)sc(Br)c1[C@@H](Br)C[C@@H]1CCC12CCC2 2047937817 ANNCLZSBZYWYLF-YUMQZZPRSA-N 477.487 7.333 50 10 JKGE CCc1nc([C@H](Br)c2c(Cl)sc(Cl)c2Cl)c(Br)s1 2050332055 VBWJDPPYAMIALF-RXMQYKEDSA-N 470.466 6.974 50 10 JKGE Fc1cccc(C(F)(F)F)c1Cn1nc(CBr)c(Br)c1C(F)(F)F 2079230460 QPYAXCJYPCIIDC-UHFFFAOYSA-N 484.007 5.766 50 10 JKGE Cl[C@H](c1ccc(I)c(Br)c1)c1ccc(CC2CC2)s1 2087640977 ATJIHRKVAVRZQH-OAHLLOKOSA-N 467.597 6.396 50 10 JKGE CC1(C)CCC[C@@]1(CBr)NC(=O)c1cc(Br)sc1Br 2094146091 JFEAMPHXTOIVCC-ZDUSSCGKSA-N 474.056 5.347 50 10 JKGE O=C(c1cc(Br)c(Br)s1)N1[C@H]2CCC[C@H](Br)[C@H]1CC2 2097810597 CWIASLCEJLLMEP-OYNCUSHFSA-N 472.040 5.194 50 10 JKGE Clc1c(Br)cccc1COc1c(Br)cccc1CBr 2110526820 TZBIANUNQKOHNM-UHFFFAOYSA-N 469.398 6.339 50 10 JKGE C[C@@H](c1nscc1Br)N(C)c1ccc(Br)cc1CBr 2130031643 NBJBSUYBRNFVNM-QMMMGPOBSA-N 469.040 5.760 50 10 JKGE CCC[C@H]1CN(C(=O)c2cc(Br)sc2Br)C[C@H]1CBr 2140771110 NKDDJEGIBSWUBK-DTWKUNHWSA-N 474.056 5.156 50 10 JKGE C[C@H]1Cc2cc([C@@H](Br)c3cccc(OCc4ccccc4)c3)cc(Br)c2O1 2146628132 SNYKUMAOUMRJGX-NYHFZMIOSA-N 488.219 6.836 50 10 JKGE C[C@H]1Cc2cc([C@H](Br)c3c(Br)cccc3Br)ccc2O1 2150494877 TXNMCABARYACPC-FVMDXXJSSA-N 460.991 6.019 50 10 JKGE O=C(c1cc(Br)sc1Br)N1CCC2(CCC(Br)CC2)C1 2156000145 GHWGWJDBCVXNDJ-UHFFFAOYSA-N 486.067 5.443 50 10 JKGE Cc1csc([C@H](Br)c2cc(Br)cc3c2O[C@@H](C)C3)c1Br 2157029995 SUHCCUZXNHCVSE-ISVAXAHUSA-N 481.047 6.389 50 10 JKGE COc1ccc([C@H](Br)c2scc(C)c2Br)c(OC)c1Br 2157035622 MQVCJTCMSRHGBU-NSHDSACASA-N 485.035 6.083 50 10 JKGE C[C@H](Cl)c1nc2cc(Br)c(Cl)cc2n1CC(C)(C)N(C)Cc1ccccc1 2160075237 AQEGZGZSGVVRCJ-AWEZNQCLSA-N 469.254 6.663 50 10 JKGE Cc1cc(Br)c(CBr)c(N(C)C2C[C@@H]3CC[C@H](C2)N3Cc2ccccc2)c1 2173448543 AVPNZKZVIGJUKB-YOFSQIOKSA-N 492.299 6.284 50 10 JKGE CCOc1ccc(S(=O)(=O)N(Cc2ccccc2)C2CCCC2)cc1CBr 2179828241 NTDRBRVOKMGHGT-UHFFFAOYSA-N 452.414 5.114 50 10 JKGE CCOc1ccc(C)cc1[C@@H](Cl)c1ccc(Br)cc1I 2207271470 INWQLEVNLKHGBC-INIZCTEOSA-N 465.556 6.089 50 10 JKGE Fc1cc(Br)c(Br)cc1[C@H](Br)c1sccc1Cl 2213491174 BJXYZLJFFPNTKH-JTQLQIEISA-N 463.391 6.550 50 10 JKGE Clc1cc(Br)ccc1C[C@@H](Br)c1csnc1Br 2215851443 HNIUZZTVRLEJQD-SECBINFHSA-N 460.416 6.000 50 10 JKGE Brc1cc(Br)c([C@H](Br)[C@@H]2C[C@H]3CCC[C@H](C3)C2)s1 2218349962 ORFGEDMAOHKTGH-KEPMVKOISA-N 457.069 6.926 50 10 JKGE CC(C)(COCc1ccccc1)n1c(CCl)nc2cc(Br)c(Br)cc21 2218662217 RFUUKKPFRTUHGT-UHFFFAOYSA-N 486.635 6.252 50 10 JKGE Fc1ccc(Cl)c(F)c1[C@@H](Br)c1cc(Br)sc1Br 2219407227 CEUSIKRCXMRMQQ-VIFPVBQESA-N 481.381 6.689 50 10 JKGE CCCCCCCCCO[C@@]1(CI)CCCN(C(=O)OC(C)(C)C)C1 2223204239 HMJSCFNHLIQVIX-HXUWFJFHSA-N 467.432 5.958 50 10 JKGE C[C@@H]1CC[C@@H](C[C@@H](Br)c2c(Br)cc(Cl)c(Cl)c2Cl)O1 2224301988 GVKICFJQYWTTLM-GJMOJQLCSA-N 451.413 6.803 50 10 JKGE CCOCc1cc(Br)c([C@@H](Br)c2cc(Cl)sc2Cl)s1 2224781390 HAGJQADNCXJJFL-JTQLQIEISA-N 465.059 6.900 50 10 JKGE Fc1cc(Br)c(Br)cc1[C@H](Br)[C@@H]1C[C@H]2O[C@H]1[C@@H]1C[C@H]21 2225635109 SSWZHDVUCDIUNG-YNAVRKJQSA-N 454.959 5.210 50 10 JKGE Cc1ccc([C@H](Br)c2c(Br)cc(C)c(Br)c2C)c(Cl)c1 2235606328 VSBKZVZNCFCZPD-INIZCTEOSA-N 481.453 7.275 50 10 JKGE COc1ccc([C@@H](Cl)c2sccc2I)c(Br)c1Cl 2256323502 QHLLABYAWYWQJE-SNVBAGLBSA-N 477.976 6.105 50 10 JKGE Fc1cccc(Cl)c1C[C@@H](Br)c1c(F)cccc1I 2267653054 TYHLLGRECCTBDX-SECBINFHSA-N 457.483 5.902 50 10 JKGE COc1ccc([C@H](Br)c2ccccc2OCc2ccccc2)c(Br)c1Cl 2268268577 RTFDDXMJLLLXQQ-LJQANCHMSA-N 496.626 7.174 50 10 JKGE CCCCc1ccc([C@H](Br)c2ccc(Cl)c(I)c2)s1 2268283428 DIHHVUFCCYRBKG-OAHLLOKOSA-N 469.613 6.833 50 10 JKGE COc1c([C@H](Br)c2nscc2Br)cc(Br)c(C)c1C 2269111444 SCECJZBZIIEXLD-NSHDSACASA-N 470.024 5.778 50 10 JKGE Cc1c([C@@H](Cl)Cc2cc(Br)cc(Br)c2)c(Br)nn1C 2277959433 SYNPORLNOAQXSU-NSHDSACASA-N 471.418 5.539 50 10 JKGE Cl[C@H](Cc1ccccc1I)c1cc2sc(Br)cc2s1 2278100121 NPOSQCPDGBVENW-SECBINFHSA-N 483.621 6.853 50 10 JKGE Cc1cc(Br)c([C@@H](Cl)c2ccc(I)c(Cl)c2)c(C)c1F 2279157704 KARXYVNDKOHSKS-AWEZNQCLSA-N 487.965 6.791 50 10 JKGE Cc1c(CBr)cccc1NC(=O)c1cc(Cl)ccc1I 2283555169 SJYQTZOUFQKBHN-UHFFFAOYSA-N 464.528 5.400 50 10 JKGE COc1cc(Cl)c([C@@H](Br)c2csc(Cl)c2OC)cc1Br 2284307776 BZLKGLMWDFKWTH-LLVKDONJSA-N 461.002 6.319 50 10 JKGE CCn1c2ccccc2c2cc(NC=C(C#N)c3nc(-c4cccc(Br)c4)cs3)ccc21 2295937291 PBTIWXCVUZQAND-UHFFFAOYSA-N 499.437 7.677 50 10 JKGE FC(F)[C@@H]1CCC[C@@H]1[C@@H](Br)c1sc(Cl)cc1I 2301084208 QFTKUGUWRMHSON-CCGCGBOQSA-N 455.533 6.124 50 10 JKGE COCc1ccc([C@H](Br)c2sc(Br)cc2Br)s1 2303041640 ZKBKNYMTHAKJQS-JTQLQIEISA-N 461.038 5.965 50 10 JKGE FC1(F)CC[C@@H]2[C@@H]([C@@H](Br)c3c(Br)sc(Br)c3Cl)[C@@H]21 2309458690 HZMXVQURPPZTQH-PFFCINGUSA-N 485.413 6.654 50 10 JKGE CCCCc1ccc(-n2c(C)cc(C=C(C#N)C(=O)Nc3cccc(Cl)c3Cl)c2C)cc1 2313571058 MGZIVHYHPSTWSZ-UHFFFAOYSA-N 466.412 7.289 50 10 JKGE CC(C)NC(=O)C(C#N)=Cc1cc(Br)ccc1OCc1ccc(Cl)cc1Cl 2313670531 CVDMPZURYVEILW-UHFFFAOYSA-N 468.178 5.766 50 10 JKGE CC1(C)C(C)(C)C1(C)[C@@H](Br)c1ccc(OCc2ccccc2)cc1Br 2314439356 GZGHEXRIMSULEB-IBGZPJMESA-N 466.257 7.536 50 10 JKGE CCc1ccc([C@@H](Br)c2ccc(OCc3ccccc3)cc2Br)cc1 2314448226 GFKIGTAFKLTQAC-JOCHJYFZSA-N 460.209 7.075 50 10 JKGE CCCCOc1cccc(-c2nn(-c3ccccc3)cc2C=C(C#N)C(=O)NC2CCCCC2)c1 2314476159 JSNQLXGWDPZKPD-UHFFFAOYSA-N 468.601 6.074 50 10 JKGE Cc1ccc(C=CC(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@H]3c2c(F)cccc2Cl)cc1 2314634467 WACZHOWFGVLWJG-DEOSSOPVSA-N 460.892 5.625 50 10 JKGE Cc1c(Br)sc([C@H](Cl)c2c(Br)nc(C)n2C)c1Br 2315628383 AZZDOGSZGYCHOS-SSDOTTSWSA-N 477.447 5.714 50 10 JKGE CCCc1sc(Br)cc1[C@H](Br)c1csc(C)c1Br 2320492412 XGOBAIMCTCFOIK-ZDUSSCGKSA-N 473.093 7.080 50 10 JKGE N#CSc1ccc(NC(=O)c2cccc(NC(=O)C=Cc3ccc(Cl)cc3Cl)n2)cc1 2320958580 CFVSNYBYNPUBCV-UHFFFAOYSA-N 469.353 5.866 50 10 JKGE CS(=O)(=O)Nc1ccc(C(O)=C(C#N)c2nc(-c3ccc4c(c3)CCCC4)cs2)cc1 2331240138 VXOONOZZIPQTBP-UHFFFAOYSA-N 451.573 5.010 50 10 JKGE N#CC(=C(O)[C@H](Cc1ccccc1)N1C(=O)c2ccccc2C1=O)c1nc(-c2ccccc2)cs1 2331304964 YWOAAWWXXWGDDD-DEOSSOPVSA-N 477.545 5.510 50 10 JKGE COc1ccc(-c2csc(C(C#N)=C(O)COc3ccc(Cl)cc3Cl)n2)cc1F 2331336195 SJUOHJYNKLKMRM-UHFFFAOYSA-N 451.306 6.136 50 10 JKGE COc1cc(-c2csc(C(C#N)=C(O)C=Cc3ccc([N+](=O)[O-])cc3)n2)c(OC)cc1Cl 2331377404 UKPXNOFESWVWOY-UHFFFAOYSA-N 469.906 5.895 50 10 JKGE COc1cc(C=C(C#N)c2nc(-c3ccc(F)cc3F)cs2)ccc1OCCc1ccccc1 2331436456 WCYBTKGSIQFFQK-UHFFFAOYSA-N 474.532 6.783 50 10 JKGE COc1ccc(Cl)cc1-c1csc(C(C#N)=Cc2cc(Br)cc(OC)c2O)n1 2331491858 SDBDVALPMGXDCN-UHFFFAOYSA-N 477.767 6.013 50 10 JKGE COCc1ccc([C@@H](Br)Cc2cc(Br)cc(Br)c2)s1 2336703094 WGLVGNFKLYEJBL-ZDUSSCGKSA-N 469.036 6.098 50 10 JKGE CC(C)[C@@H]1CC[C@H](Br)[C@@H](Cc2ccc(Cl)c(I)c2)C1 2337272075 DOENAAYPZWNJTC-RDBSUJKOSA-N 455.605 6.323 50 10 JKGE Cc1cc(Br)c(F)c(Br)c1[C@H](Cl)c1ccccc1OCc1ccccc1 2339655529 ZRXKHSOITMEIAP-HXUWFJFHSA-N 498.617 7.566 50 10 JKGE COc1c(Br)cc(C)c([C@H](Br)[C@]23C[C@H](C)[C@@H]2C3)c1Br 2339676168 UWNFIJQRMJGGES-DMAMZFHHSA-N 453.012 6.011 50 10 JKGE C[C@@H]1CC2CC([C@@H](Br)Cc3cc(Br)cc(Br)c3)(C2)O1 2342245914 OPBGKQJAWHQNPX-ODTORKDASA-N 453.012 5.475 50 10 JKGE COc1ncc(Br)c(C)c1CC(CBr)(CBr)C(C)C 2342320468 ZYQLGJXLTSRRTF-UHFFFAOYSA-N 458.032 5.136 50 10 JKGE COC1(C(F)F)CC([C@@H](Br)c2ccc(Br)cc2Br)C1 2343014115 NTGFGSMGDCRCQI-MXYBJEDBSA-N 462.954 5.708 50 10 JKGE Fc1ccc([C@@H](Cl)c2c(F)cc(Cl)c(Br)c2Cl)cc1Br 2360402064 ONHLGBOETCAYFK-GFCCVEGCSA-N 465.346 7.125 50 10 JKGE Fc1ccc([C@H](Br)c2c(F)cc(Cl)c(Br)c2Cl)cc1Cl 2360420916 AMHPYGNPDRGIRH-NSHDSACASA-N 465.346 7.172 50 10 JKGE Cc1cccc(Br)c1[C@@H](Cl)c1c(F)cc(Cl)c(Br)c1Cl 2360429147 MEYRWSJVFBETAF-CYBMUJFWSA-N 461.383 7.294 50 10 JKGE COc1cc(COc2cccc(CBr)c2Br)c(Br)cn1 2362089835 WXKAZOWMORTITB-UHFFFAOYSA-N 465.967 5.089 50 10 JKGE Fc1cc(Cl)ccc1[C@@H](Cl)c1c(Cl)cc(Br)c(F)c1Br 2362237630 GHYQVSVZGPRPQC-GFCCVEGCSA-N 465.346 7.125 50 10 JKGE Clc1ccc(CN2C[C@H]3CCC[C@@](CBr)(C3)C2)cc1I 2362367965 IMURRIVJZFXQET-BBRMVZONSA-N 468.604 5.332 50 10 JKGE COc1c(Br)cc(C)c([C@H](Br)[C@H]2C[C@]23CCOC3)c1Br 2365190905 JKOAXJQNBPHJEV-BCQZVRRWSA-N 469.011 5.391 50 10 JKGE CCOC(=O)c1c(NC(=O)/C(C#N)=C/c2ccc(-c3ccc(C(=O)O)cc3)o2)sc2c1CCCC2 14150994 IVJVZFUQUYAMIK-GHRIWEEISA-N 490.537 5.307 50 10 JKGE CC[C@H](Oc1ccc(-c2ccccc2)cc1)C(=O)NNC(=O)COc1ccccc1[C@H](C)CC 14768313 JUDDPAVTWDZBKE-NLFFAJNJSA-N 460.574 5.251 50 10 JKGE Cc1ccc(-c2ccc(/C=C(\C#N)c3nc(-c4ccc(Br)cc4)cs3)o2)c([N+](=O)[O-])c1 28356032 BDAXFGYKSXTHIO-LFIBNONCSA-N 492.354 7.113 50 10 JKGE CCSc1ccc(-c2nn(-c3ccccc3)cc2/C=C(\C#N)C(=O)NCc2ccccc2)cc1 35445858 PCYQBGAEYCOXNX-HAVVHWLPSA-N 464.594 5.875 50 10 JKGE CCCCCN1C(=O)C(C#N)=C(C)/C(=C\c2ccc(OCc3ccc(C)cc3)c(OC)c2)C1=O 38603983 FKYGHWIVVZNQQK-HZHRSRAPSA-N 458.558 5.365 50 10 JKGE COc1ccccc1[C@H]1C(C#N)=C(N)Oc2cc(OC(=O)c3ccc(C(C)(C)C)cc3)ccc21 38649921 OKOJHEAZKUZMBI-RUZDIDTESA-N 454.526 5.430 50 10 JKGE CCOc1ccccc1[C@@H]1C(C#N)=C(N)Oc2cc(OC(=O)c3ccc(Cl)cc3Cl)ccc21 38650478 FDAXTLYIXVEJQM-QHCPKHFHSA-N 481.335 5.829 50 10 JKGE N#CC1=C(N)Oc2cc(OC(=O)c3ccc(Cl)cc3Cl)ccc2[C@H]1c1cccc(Cl)c1 38651169 VJSYNAYOHSXMJD-OAQYLSRUSA-N 471.727 6.084 50 10 JKGE N#CC1=C(N)Oc2cc(OC(=O)Cc3cccc4ccccc34)ccc2[C@H]1c1ccccc1F 38652105 XSFJKFKYQMCFQQ-HHHXNRCGSA-N 450.469 5.345 50 10 JKGE CCCCCOc1ccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4ccccc4F)ccc32)cc1 38685491 LLTBOKKULUZBBA-AREMUKBSSA-N 472.516 5.832 50 10 JKGE COc1ccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4oc5ccccc5c4C)ccc32)cc1OC 38688606 IWAANMFJWSGELK-VWLOTQADSA-N 482.492 5.196 50 10 JKGE Nc1c(NNC(=O)C(c2ccccc2)c2ccccc2)ncnc1Nc1ccc(Cl)cc1Cl 40783295 IIPYKXRXIKGYLK-UHFFFAOYSA-N 479.371 5.384 50 10 JKGE CCCNC(=O)/C(C#N)=C/c1ccc(OC(=O)CCCOc2ccc(C(C)C)c(C)c2)c(OC)c1 54624885 UXISQQSJQHSREY-CJLVFECKSA-N 478.589 5.325 50 10 JKGE COc1cc2ccccc2cc1C(=O)N/N=C1/C(=O)N(Cc2cccc3ccccc23)c2ccccc21 59152681 UFTSJQQKWOQKEE-UUDCSCGESA-N 485.543 5.683 50 10 JKGE Cc1ccccc1C(=O)Nc1ccc(C(=O)NNC(=O)[C@H](C)c2ccc(CC(C)C)cc2)cc1 66199284 VXIFLYXIVRXMEG-HXUWFJFHSA-N 457.574 5.011 50 10 JKGE CCOc1cc(/C=N\NC(=O)Cc2ccc(Cl)cc2)ccc1OCc1ccccc1Cl 83292871 DYGAPHBAJCTKBB-DICXZTSXSA-N 457.357 5.664 50 10 JKGE CC1CCC(NC(=O)[C@H](c2ccc(F)cc2)N(CCc2ccc(Cl)cc2)C(=O)CCl)CC1 97914714 WQKPJLNGOOAHIH-HRCMYCDISA-N 479.423 5.525 50 10 JKGE N#C/C(=C/Nc1cccc(Br)c1)c1nc(-c2cccc(Br)c2)cs1 100057786 BMLVUWRECJFTQY-RAXLEYEMSA-N 461.182 6.312 50 10 JKGE C=CCc1ccc(OCCOc2ccccc2/C=C(/C#N)C(=O)Nc2cccc(C)c2)c(OC)c1 101425563 IKVCCVQSRRHJFB-CLCOLTQESA-N 468.553 5.736 50 10 JKGE Cc1cc(=O)oc2cc(N/C=C(/C#N)c3nc(-c4cccc(Br)c4)cs3)ccc12 102418466 LNDXENMANOYEKG-PTNGSMBKSA-N 464.344 5.964 50 10 JKGE COC(=O)c1ccccc1NC(=O)/C(C#N)=C\c1ccc(-c2ccc(Br)cc2)o1 103309950 JKKPYILZLKHLQA-QINSGFPZSA-N 451.276 5.041 50 10 JKGE CCOc1cc(/C=C(/C#N)C(=O)Nc2sc3c(c2C#N)CCCC3)ccc1OCc1ccc(C)cc1 107881680 MRHKRBALQCEIDX-HMAPJEAMSA-N 497.620 6.330 50 10 JKGE Brc1cc([C@H](Br)c2ccc3c4c(cccc24)CC3)sc1Br 158960577 IZMVFKVLQZFIKW-MRXNPFEDSA-N 487.054 7.009 50 10 JKGE CC(C)Cc1ccc([C@@H](Br)c2cc(Br)ccc2Br)cc1 161076756 HCTSHYJESLWJDB-QGZVFWFLSA-N 461.035 6.894 50 10 JKGE COc1cc(Cl)c([C@@H](Br)c2ccccc2I)cc1Cl 166989862 KOMNXBUQDJSXPH-AWEZNQCLSA-N 471.947 6.091 50 10 JKGE CC[C@@H](C)[C@H](c1ccccc1)[C@@H](Br)c1cc(Br)ccc1Br 217515869 CDEYTQOTXDKKGY-PJSAGSTRSA-N 475.062 7.478 50 10 JKGE COc1ccc([C@@H](Br)c2cc(Br)ccc2F)c(OC)c1Br 224848587 OPIUKBAUNXAQMX-CYBMUJFWSA-N 482.969 5.852 50 10 JKGE Clc1ccc(Br)cc1[C@@H](Br)c1cc(Br)cc2c1OCC2 228442448 DCABVULQGHVPDL-CQSZACIVSA-N 481.409 6.284 50 10 JKGE Fc1ccc(C[C@@H](Br)c2ccc(I)c(Cl)c2)c(F)c1 232386437 BDMPFQGSRJZVDU-LLVKDONJSA-N 457.483 5.902 50 10 JKGE O=C(NC1(CBr)CCCCC1)c1cc(Br)cc(Br)c1 232475807 KCJNBADKABRQQJ-UHFFFAOYSA-N 454.000 5.039 50 10 JKGE C[C@H]1Cc2cc([C@H](Br)c3cc(Br)cc(Br)c3)ccc2O1 235771090 VSPKGAKETQXSNP-FVMDXXJSSA-N 460.991 6.019 50 10 JKGE Clc1cc(Br)cc([C@H](Cl)c2cc(Br)ccc2Br)c1 236031424 ZWAGOEWHZBYUBU-ZDUSSCGKSA-N 473.817 6.956 50 10 JKGE Fc1cc([C@H](Br)c2cccc(Br)c2F)c(F)cc1Br 236236909 RTMWFNJCXDKUFK-GFCCVEGCSA-N 458.897 6.113 50 10 JKGE CC[C@H]1CCCCN1c1ccc([N+](=O)[O-])cc1C=NNC(=O)COc1cccc2ccccc12 254521048 LPZBLWSVDNXZLF-NRFANRHFSA-N 460.534 5.046 50 10 JKGE COc1cc(C=NNC(=O)Nc2ccccc2)ccc1OCCOc1ccc(C(C)(C)C)cc1 254817149 XSMNEZUBUKCVNS-UHFFFAOYSA-N 461.562 5.606 50 10 JKGE C=CCOc1ccccc1C=NNC(=O)c1cc(Br)ccc1OCc1ccccc1 254841313 PCEXZZVILHIWNL-UHFFFAOYSA-N 465.347 5.357 50 10 JKGE O=C(NN=C1C[C@H](c2ccccc2)Oc2ccccc21)c1cc(-c2ccc(F)cc2)nc2ccccc12 254843907 BUVVSCXNHCHUAD-SSEXGKCCSA-N 487.534 6.699 50 10 JKGE Fc1cc2nc(CCl)n(C[C@H]3CCCN(Cc4ccccc4)C3)c2cc1Br 380123844 RKKHSTLUFHEHGE-INIZCTEOSA-N 450.783 5.589 50 10 JKGE Cc1ccc([C@@H]2CN(C(=O)OC(C)(C)C)C[C@@H]2CI)cc1Br 394699980 XPHBCUKEXTYYDB-KBPBESRZSA-N 480.184 5.143 50 10 JKGE Cc1cc(Br)c([C@H](Br)[C@@H](C)CC(F)(F)F)cc1Br 402510687 IPZCFGPULXYPFK-WRWORJQWSA-N 452.934 6.545 50 10 JKGE Clc1cc([C@H](Br)c2cc(Cl)c(Cl)c(Cl)c2Cl)ccc1Br 405044294 AGYWMBSSAITCAB-JTQLQIEISA-N 498.256 8.200 50 10 JKGE CC(C)(C)OC(=O)N1c2ccccc2NC[C@@H]1c1ccc(CCO[Si](C)(C)C(C)(C)C)cc1 616692591 YPOAEWZTSCHIKT-XMMPIXPASA-N 468.714 7.159 50 10 JKGE COCc1csc([C@H](Br)c2cc(Br)c(Br)s2)c1 689988926 QXSLPIUZVNONKI-JTQLQIEISA-N 461.038 5.965 50 10 JKGE C[C@H](COc1c(Br)cc(CBr)cc1Br)c1ccccn1 692936771 KOPGETBITWOZJA-SNVBAGLBSA-N 463.995 5.684 50 10 JKGE CC(C)CC(CBr)(CBr)Cc1ccc(Br)c(F)c1F 701009389 ZTYRWEOFAGIFQV-UHFFFAOYSA-N 462.998 6.092 50 10 JKGE C[C@H]1Cc2cc(Br)cc([C@@H](Cl)c3csc(I)c3)c2O1 720131902 KKWSOHQRPZLNIM-CPFSXVBKSA-N 469.569 5.767 50 10 JKGE O=C(c1cc(Br)sc1Br)N1CC[C@H]2CC[C@H](Br)[C@H]1C2 721590269 UPICBLNXVSEEJJ-FKTZTGRPSA-N 472.040 5.051 50 10 JKGE COc1ccc([C@H](Br)c2ccc(I)c(Br)c2)c(C)c1 721605975 UVUWSFOJENDZKH-OAHLLOKOSA-N 495.980 5.855 50 10 JKGE C[C@@]1(CBr)CCCCN1C(=O)c1cc(Br)c(Br)s1 722988647 AFMGVOQOUMEKBM-LBPRGKRZSA-N 460.029 5.053 50 10 JKGE Cc1cc2c(cc1C)CN(c1cccc(C(=O)NN=Cc3c4ccccc4cc4ccccc34)c1)C2 1083959460 SYTICARQDPXAMA-UHFFFAOYSA-N 469.588 6.894 50 10 JKGE COc1cc(C=NNC(=O)Cc2ccccc2)cc(Br)c1OCc1ccc(Cl)cc1 1084022944 WQRGBJBLEVUAGA-UHFFFAOYSA-N 487.781 5.383 50 10 JKGE O=C(CCCSc1nc2ccccc2s1)NN=Cc1ccccc1OCc1ccccc1Cl 1084166391 ZJZDCUXKHGTEAN-UHFFFAOYSA-N 496.057 6.551 50 10 JKGE Cc1cc(Cl)ccc1NC(=O)C(=O)NN=Cc1ccc(-c2ccc(Cl)c(Cl)c2)o1 1084222492 QPYXPYPHASVXER-UHFFFAOYSA-N 450.709 5.304 50 10 JKGE O=C(NN=Cc1ccc(-c2cc([N+](=O)[O-])ccc2Cl)o1)c1cc2cc(Br)ccc2o1 1084365363 ATDZNJJPPPNTLE-UHFFFAOYSA-N 488.681 5.781 50 10 JKGE Cc1cc(/C=C(\C#N)C(=O)N2CCN(c3ccccc3)CC2)c(C)n1-c1cccc2ccccc12 1084402868 BZASYCMYYKTYGC-LHLOQNFPSA-N 460.581 5.503 50 10 JKGE Cc1ccc(N(CC(=O)NN=Cc2ccc(C(C)C)cc2)S(=O)(=O)c2ccccc2)cc1Cl 1084509639 YCAPJFTWWNPGHV-UHFFFAOYSA-N 484.021 5.117 50 10 JKGE CC(C)COc1cc(Cl)cc(C(=O)N(NC(=O)Nc2ccc(F)cc2F)C(C)(C)C)c1 1088717570 AWBUPRHTGQEDPB-UHFFFAOYSA-N 453.917 5.630 50 10 JKGE Cc1c(C(=O)Oc2ccc(Cl)cc2Cl)oc2c1C(=NNC(=O)c1ccccc1)CCC2 1772745186 UQNVOGJSUPMNSD-UHFFFAOYSA-N 457.313 5.584 50 10 JKGE Cc1ccc(Cl)cc1NC(=O)c1oc2c(c1C)C(=NNC(=O)c1cccc(Cl)c1)CCC2 1772745579 BORUXYYQTUAABE-UHFFFAOYSA-N 470.356 5.926 50 10 JKGE CCc1cccc(CC)c1NC(=O)[C@@H](C)Oc1cccnc1NC(=O)Oc1ccc([N+](=O)[O-])cc1 1858684199 HNDXEUJOZNSWFG-MRXNPFEDSA-N 478.505 5.132 50 10 JKGE CCCc1nn(Cc2ccccc2Cl)c2c1[C@@H](c1ccc(OCC)c(OC)c1)C(C#N)=C(N)O2 1865695573 QAEDGTBUSCIHBQ-QHCPKHFHSA-N 478.980 5.163 50 10 JKGE CCCCCCOc1ccc([C@H]2C(C#N)=C(N)Oc3c2c(C)nn3-c2ccccc2)cc1OC 1865696538 OVEQOSZMYNVHLG-VWLOTQADSA-N 458.562 5.367 50 10 JKGE CCCCOc1ccc([C@@H]2C(C#N)=C(N)Oc3c2c(CC)nn3Cc2ccc(Cl)cc2)cc1OC 1865697327 QCDTWDSXBSIYNI-XMMPIXPASA-N 493.007 5.553 50 10 JKGE CCCc1nn(-c2ccc(Br)cc2)c2c1[C@H](c1sccc1C)C(C#N)=C(N)O2 1865698849 DSESXXGTPVDMOO-QGZVFWFLSA-N 455.381 5.175 50 10 JKGE Cc1ccc(-c2csc(/C(C#N)=C(\O)c3ccc(N4CCOCC4)c([N+](=O)[O-])c3)n2)cc1C 1872756326 HRSGURFDGKDYQG-NMWGTECJSA-N 462.531 5.122 50 10 JKGE COc1ccc(C(C)(C)C)cc1-c1csc(/C(C#N)=C/c2ccc(OCc3ccccc3C)cc2)n1 1872793086 HVPAVVSTVIXTDX-LFVJCYFKSA-N 494.660 8.068 50 10 JKGE CC[C@@H](Br)CN(Cc1ccccc1)C(=O)c1ccc(F)cc1I 1915075346 CUKCQNCDJMUJEH-CQSZACIVSA-N 490.154 5.246 50 10 JKGE Brc1cc(Br)c([C@@H](Br)C2(c3ccccc3)CC2)s1 1922944024 XKQGBSCIKNRMHT-CYBMUJFWSA-N 451.021 6.441 50 10 JKGE COc1ccc([C@H](Cl)c2sc(Br)cc2Br)cc1Br 1922953285 BOBNLKUZTMIXLK-NSHDSACASA-N 475.427 6.372 50 10 JKGE Clc1c(Br)sc(Br)c1[C@H](Cl)c1csc(Br)c1 1923048770 IUJXBTFEKMXTSV-ZCFIWIBFSA-N 485.875 7.079 50 10 JKGE Cl[C@@H](c1c(Br)sc(Br)c1Br)C1CC2(CCCCC2)C1 1924569095 PZICWLXIZNDXRI-LLVKDONJSA-N 491.514 7.676 50 10 JKGE Brc1sc(Br)c([C@H](Br)[C@H]2CCCO2)c1Br 1924575966 IBQJBMVAPZDOBU-INEUFUBQSA-N 483.845 5.651 50 10 JKGE Brc1cccc(Br)c1C[C@@H](Br)COCc1ccccc1 1934527932 MZMUHIJGNUDOQU-CYBMUJFWSA-N 463.007 5.734 50 10 JKGE Cc1sc([C@H](Cl)c2csc(Br)c2Br)c(C)c1Br 1945190529 OQRZHUBHZFYQBB-SECBINFHSA-N 479.484 7.042 50 10 JKGE COCC1([C@H](Cl)c2c(Br)sc(Br)c2Br)CC1 1975746673 NUNAWIUNDJVQKQ-SSDOTTSWSA-N 453.421 5.742 50 10 JKGE Cc1sc([C@H](Cl)c2cc(I)ccc2F)c(C)c1Br 2050463052 FSWKPSLMFJPCOQ-GFCCVEGCSA-N 459.549 6.199 50 10 JKGE C[C@@H](CCCCCBr)NC(=O)c1cc(Br)c(Br)s1 2054161646 MIFIKZHSSYWASX-QMMMGPOBSA-N 462.045 5.347 50 10 JKGE Cc1cc(Br)c(C)c([C@H](Cl)c2coc(Br)c2)c1Br 2081072402 TTYBOKGYLOQGLR-CYBMUJFWSA-N 457.387 6.512 50 10 JKGE C[C@@H]1Cc2cc([C@H](Br)c3sncc3Br)cc(Br)c2O1 2090457337 AXCBXJBLWCOCNS-KBUNVGBDSA-N 468.008 5.476 50 10 JKGE ClCc1nc2cc(Br)c(Cl)cc2n1[C@@]12C[C@H]1CN(Cc1ccccc1)C2 2103619823 IMZVLQUCGHLLPF-VBKZILBWSA-N 451.195 5.422 50 10 JKGE C[C@@H]1CO[C@H](CC(CBr)(CBr)c2cccc(Br)c2)C1 2110063766 FTBHAXNKPYGTFW-FZMZJTMJSA-N 455.028 5.292 50 10 JKGE Fc1cc(Br)cc(N2CC[C@H]3CN(Cc4ccccc4)C[C@H]3C2)c1CBr 2114266646 VSWXNRAWVBIHFI-IRXDYDNUSA-N 482.235 5.441 50 10 JKGE Cl[C@H]1[C@@H](CNc2ncc(I)cc2Br)CCC12CCC2 2133382482 VZXSBOBBEMNXOU-SKDRFNHKSA-N 455.565 5.048 50 10 JKGE Cc1c(Br)ccc([C@@H](Br)c2ccc(F)c(F)c2)c1Br 2138851758 LOMKNMPQYIKZKP-AWEZNQCLSA-N 454.934 6.283 50 10 JKGE C[C@@H]1Cc2cc([C@@H](Cl)c3ccccc3I)cc(Br)c2O1 2146617526 ZJILLLOGVAFLIS-RFAUZJTJSA-N 463.540 5.705 50 10 JKGE CCc1nc([C@H](Br)c2cc(Br)c3c(c2)CCO3)c(Br)s1 2169490426 PEZJYYMTFKSBHO-LLVKDONJSA-N 482.035 5.650 50 10 JKGE CC[C@H](C(C)C)[C@@H](Cl)c1sc(Br)c(Br)c1Br 2212190417 XKDBHRXBLLIKDC-HZGVNTEJSA-N 453.465 6.998 50 10 JKGE COc1ccc([C@H](Br)c2cc(Cl)c(Br)s2)c(Br)c1 2223963883 NGIGBRPDTJTPST-NSHDSACASA-N 475.427 6.419 50 10 JKGE Cc1ccc(I)c([C@H](Br)Cc2cccc(Br)c2)c1 2224056691 AQYAHFFBQZDZHW-CQSZACIVSA-N 479.981 6.041 50 10 JKGE COc1ccc(Br)cc1[C@H](Br)c1c(C)sc(Br)c1C 2225868539 UMODTHRRNHYCMM-ZDUSSCGKSA-N 469.036 6.383 50 10 JKGE Cc1cc(Br)c([C@@H](Br)c2cc3sccc3s2)c(C)c1Cl 2232526963 BEFXNAKITYSTRN-AWEZNQCLSA-N 450.648 7.480 50 10 JKGE ClCc1nc2cc(Br)c(Br)cc2n1-c1ccc(Br)cc1 2234066048 LAKDGCKCEVEXKV-UHFFFAOYSA-N 479.397 6.052 50 10 JKGE Cc1c(Br)csc1[C@@H](Br)c1cc(Br)cc2c1O[C@H](C)C2 2234515701 WXJKNNOPQMIAFE-UHLUBPPHSA-N 481.047 6.389 50 10 JKGE CCOCc1cc(Br)c([C@H](Cl)c2sc(C)c(C)c2Br)s1 2237634144 UNWYEDCBRYVZEQ-LBPRGKRZSA-N 458.668 6.816 50 10 JKGE Cc1cccc([C@@H](Br)c2ccc3c(c2Br)CCO3)c1Br 2238076806 NVTDURCZNBDQHF-MRXNPFEDSA-N 460.991 5.939 50 10 JKGE COc1sc([C@@H](Br)c2scc(Br)c2Cl)cc1Br 2246466044 OVTAXCDJGDRLED-SSDOTTSWSA-N 481.456 6.481 50 10 JKGE COc1c([C@H](Br)c2sc(Br)cc2Br)csc1Cl 2248560842 OBYDYMPRSTWBIA-ZETCQYMHSA-N 481.456 6.481 50 10 JKGE COc1ccc([C@@H](Br)c2c(C)cccc2Br)cc1I 2269540479 GTCWMHIWAACYDZ-OAHLLOKOSA-N 495.980 5.855 50 10 JKGE COc1cc(C)c(Br)c(C)c1[C@H](Br)c1sccc1Br 2269620594 KNBTWSNKBVUPMZ-ZDUSSCGKSA-N 469.036 6.383 50 10 JKGE Brc1cnc(N2CCC3(CC[C@H](Br)C3)CC2)c(Br)c1 2272384708 NKAQVTXTQVLUFO-JTQLQIEISA-N 453.016 5.141 50 10 JKGE Fc1cc(Br)c(F)c(Br)c1[C@@H](Br)[C@H]1CCCC12CC2 2272856479 XKEBHMHAAHMXHP-HQJQHLMTSA-N 458.966 6.506 50 10 JKGE Brc1cc(Br)cc(C[C@@H](Br)[C@@H]2CCCC23CCC3)c1 2277947463 IBTYZTRONOAAFJ-LSDHHAIUSA-N 451.040 6.488 50 10 JKGE COc1cc(C)c(Br)c(C)c1[C@H](Br)c1nc(C)sc1Br 2285056797 HSNOSPIIWOXQOG-LBPRGKRZSA-N 484.051 6.086 50 10 JKGE C[C@]1([C@H](Br)c2c(F)cc(Br)c(F)c2Br)C[C@H]1C(F)(F)F 2288346184 WPKKTYSJDYPFFG-PFZYVWIYSA-N 486.898 6.514 50 10 JKGE COc1cc(Br)ccc1[C@H](Cl)Cc1cc(Br)cc(Br)c1 2295334245 UARLRNFBRBXEIU-CQSZACIVSA-N 483.425 6.505 50 10 JKGE CC1(C)CCC[C@H]([C@@H](Br)Cc2cc(Br)cc(Br)c2)CC1 2295335548 LTMAQSRACDJOLZ-BBRMVZONSA-N 467.083 7.124 50 10 JKGE CCOc1ccc(-c2csc(C(C#N)=CNc3cc4oc5ccccc5c4cc3OC)n2)cc1 2295945615 CCGZIDKBGPIBQA-UHFFFAOYSA-N 467.550 7.093 50 10 JKGE Cc1ccc(C)c(NC(SCc2c(F)cccc2Cl)=C(C#N)S(=O)(=O)c2ccccc2)c1 2297350181 UEJPDMSMTHKMBP-UHFFFAOYSA-N 487.021 6.608 50 10 JKGE COc1ccc(C=C(C#N)C(=O)Nc2ccccc2C)cc1OC(=O)c1cccc2ccccc12 2297558812 BCBFKQOHWQEUMU-UHFFFAOYSA-N 462.505 5.922 50 10 JKGE CC1(C)C[C@@H]1CC[C@@H](Br)c1ccc(OCc2ccccc2)cc1Br 2299534745 HGVUNWAWIQFSKJ-QFBILLFUSA-N 452.230 7.290 50 10 JKGE Brc1cc(OCc2ccccc2)ccc1[C@@H](Br)[C@H]1CC[C@@H]2C[C@@H]2C1 2299536173 WZPIXJDMMSXCQK-WOYCLPQFSA-N 450.214 6.900 50 10 JKGE Cc1cccc(COc2ccc(Br)cc2C=C(C#N)C(=O)Nc2ccccc2Cl)c1 2313631088 KINSDVNXWPDHNB-UHFFFAOYSA-N 481.777 6.536 50 10 JKGE CC(C)Cc1ccc([C@H](C)C(=O)NN=C2C(=O)N(CC=Cc3ccccc3)c3ccccc32)cc1 2313649682 ASDQUMBCERNYBZ-QFIPXVFZSA-N 465.597 5.569 50 10 JKGE COc1cc(C=C(C#N)C(=O)Nc2ccc3ccccc3c2)ccc1OCC(=O)Nc1ccccc1 2314487581 GDZQIQMNTITJIX-UHFFFAOYSA-N 477.520 5.412 50 10 JKGE COc1ccc(-c2nn(-c3ccccc3)cc2C=C(C#N)C(=O)Nc2ccc3ccccc3c2)cc1 2314488442 OHZPQCOVVOTBGR-UHFFFAOYSA-N 470.532 6.247 50 10 JKGE CC1=C(C#N)C(=O)N(Cc2ccccc2Cl)C(=O)C1=Cc1ccc(-c2ccccc2Cl)o1 2314620585 RLWGRTVGJLZENN-UHFFFAOYSA-N 463.320 6.046 50 10 JKGE COc1cc([C@H](Br)c2cc(Br)ccc2Br)sc1Cl 2317955472 OFZFJGBILWSXFV-LLVKDONJSA-N 475.427 6.419 50 10 JKGE N#CC(=CN1CCN(C(c2ccccc2)c2ccccc2)CC1)C(=O)Nc1ccc(Cl)cc1Cl 2324484249 MSQNSIXJKHINPN-UHFFFAOYSA-N 491.422 5.747 50 10 JKGE C[C@H](NC=C(C#N)C(=O)Nc1ccccc1Sc1ccccc1)C12CC3CC(CC(C3)C1)C2 2325336252 WVKAQCKIHMRHIW-ZBBKGZSWSA-N 457.643 6.378 50 10 JKGE N#CC(=Cc1cccc(OCc2ccc(Cl)c(Cl)c2)c1)c1cc2c(cc1[N+](=O)[O-])OCCO2 2331051649 WFESAEFYTMMWPS-UHFFFAOYSA-N 483.307 6.316 50 10 JKGE Cc1cc(OCC(O)=C(C#N)c2nc(-c3ccc4c(c3)CCCC4)cs2)cc(C)c1Cl 2331239820 DNIZZPNANLIIHS-UHFFFAOYSA-N 450.991 6.831 50 10 JKGE COc1cc(C=C(C#N)c2nc(C(C)(C)C)cs2)ccc1OCc1ccc(Cl)cc1Cl 2331443338 CHMLACDVHUSTDF-UHFFFAOYSA-N 473.425 7.399 50 10 JKGE N#CC(=Cc1c(OCc2ccccc2)ccc2ccccc12)c1nc(-c2ccc(F)c(F)c2)cs1 2331464019 PTESIFJRBFALQI-UHFFFAOYSA-N 480.539 7.885 50 10 JKGE COc1ccc(-c2csc(C(C#N)=Cc3cccc(OC)c3OCc3cccc(C)c3)n2)c(OC)c1 2331473390 RYKQYWXOUJAIEG-UHFFFAOYSA-N 498.604 6.788 50 10 JKGE Fc1cc(Cl)c([C@H](Cl)c2ccc(OCc3ccccc3)cc2Br)cc1F 2336040826 IZWXHHLMVICPOJ-HXUWFJFHSA-N 458.129 7.288 50 10 JKGE Fc1c(Br)cc(Cl)c([C@H](Br)[C@H]2CCCOCC2)c1Br 2337103391 JFYPCAYTNSPZEF-WRWORJQWSA-N 479.409 6.257 50 10 JKGE Clc1cc(I)c([C@@H](Br)[C@@H]2CCOc3ccccc32)s1 2338559019 RKKWOFMRBILKFK-RNCFNFMXSA-N 469.569 6.008 50 10 JKGE Cc1cc(Cl)c(Br)cc1[C@H](Cl)c1c(Br)c(Br)nn1C 2338859844 ILPFGYARPUAVEA-JTQLQIEISA-N 491.836 5.998 50 10 JKGE Clc1ccc(CC[C@H](Cl)c2cccc(Br)c2)c(I)c1 2341060844 ZSHSSWGJEVOJII-AWEZNQCLSA-N 469.975 6.620 50 10 JKGE Cl[C@@H]1CCCC[C@@H](CNCc2ccc(I)c(Br)c2)C1 2349839917 KRPIBSXXWJJEFO-DGCLKSJQSA-N 456.593 5.331 50 10 JKGE Cc1c(Br)ccc([C@@H](Br)[C@@H]2OC[C@@H]3CCCC[C@@H]32)c1Br 2358467113 DSVFLUIJPMNLKN-DPDCMNJDSA-N 467.039 6.161 50 10 JKGE CSc1ccccc1[C@@H](Br)c1c(F)cc(Cl)c(Br)c1Cl 2360492338 KUDMSNQVBZGBRN-GFCCVEGCSA-N 459.005 7.101 50 10 JKGE FC(F)(CI)C(F)(F)CNc1ncc(Br)c2ccsc12 2361678734 DIJMWQUFDICCMB-UHFFFAOYSA-N 483.066 5.176 50 10 JKGE COc1cc(/C=C(\C#N)c2ccc(Cl)cc2)ccc1OC(=O)c1ccc(Br)o1 1284977 SYERYRYFBFHNNG-XNTDXEJSSA-N 458.695 5.987 50 10 JKGE CCc1ccc([C@H]2C(C#N)=C(N)N(c3cc(Cl)cc(Cl)c3)C3=C2C(=O)CC(C)(C)C3)s1 6284153 AKERDJYFXOITLC-OAQYLSRUSA-N 472.441 6.558 50 10 JKGE CCc1ccccc1N1CSC2=C(C#N)[C@@H](c3cc(Br)ccc3OC)CC(=O)N2C1 9693461 WHQTWEQALZLCFM-QGZVFWFLSA-N 484.419 5.240 50 10 JKGE C[C@H](Oc1ccc(Cl)cc1Cl)C(=O)NNC(=O)CCCOc1ccc(Cl)cc1Cl 12578392 WQSHXRBMILPMBL-NSHDSACASA-N 480.175 5.074 50 10 JKGE Cc1ccc(Cn2c(C(=O)N3CCN(C(=O)[C@@H](Cl)c4ccccc4)[C@@H](C)C3)cc3ccoc32)cc1 35843953 LUCNCLCCOPHDKM-CPJSRVTESA-N 490.003 5.244 50 10 JKGE CCOc1cccc(C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@@H]3c2ccc(C(C)(C)C)cc2)c1 38649834 QFUWVGKYLHLVPR-AREMUKBSSA-N 468.553 5.820 50 10 JKGE CCCCOc1ccccc1C(=O)Oc1ccc2c(c1)OC(N)=C(C#N)[C@@H]2c1ccc(OC)cc1 38650407 RWIRCRJPKLMZLV-AREMUKBSSA-N 470.525 5.311 50 10 JKGE CCCOc1ccc(C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@@H]3c2ccc(Cl)cc2Cl)cc1 38655374 XETCOSVEUXKEGM-XMMPIXPASA-N 495.362 6.220 50 10 JKGE COc1cc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4ccco4)ccc32)ccc1OCc1ccccc1 38660033 VLQOAEWJYCHPMW-MHZLTWQESA-N 494.503 5.305 50 10 JKGE N#CC1=C(N)Oc2cc(OC(=O)Cc3cccc4ccccc34)ccc2[C@@H]1c1c(F)cccc1Cl 38680473 WYKJAVXZYBYORF-SANMLTNESA-N 484.914 5.999 50 10 JKGE COc1c(Cl)cc(C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@H]3c2cccs2)cc1Cl 38688401 XMRHUCIJJCBCMI-IBGZPJMESA-N 473.337 5.501 50 10 JKGE Cc1ccc(-c2ccc(/C=C(\C#N)C(=O)Nc3ccc(C(F)(F)F)c(Cl)c3)o2)c([N+](=O)[O-])c1 39884876 JGXWZIQFOOMICK-UKTHLTGXSA-N 475.810 6.381 50 10 JKGE Cc1cc(OC(=O)c2oc3c(c2C)/C(=N/NC(=O)c2ccc(F)cc2)CCC3)ccc1Cl 40811976 GNGDMDNZYZGZSF-ZXVVBBHZSA-N 454.885 5.379 50 10 JKGE COc1cc(/C=C(/C#N)C(=O)Nc2ccc(C)cc2)cc(Cl)c1OCc1ccccc1Cl 59335338 SCXGVNJTDJATSV-ODLFYWEKSA-N 467.352 6.435 50 10 JKGE CCCCC1CCC(C(=O)N2CCCc3cc(C(=O)[C@@H](Br)C(C)C)ccc32)CC1 71432752 JIOIXVMYFQCKHZ-XWEVFREBSA-N 462.472 6.565 50 10 JKGE CCOC(=O)c1c(N/C=C(\C#N)c2nc(-c3ccc4c(c3)OCO4)cs2)sc2c1CCCC2 102453109 DBERLFYISIQBPU-RVDMUPIBSA-N 479.583 5.632 50 10 JKGE CCOC(=O)c1c(NC(=O)/C(C#N)=C\c2c(-c3ccccc3)nc3ccccn23)sc2c1CCCC2 102925965 LHEGRLNQTXRXGU-MNDPQUGUSA-N 496.592 5.664 50 10 JKGE COc1cc(/C=C(/C#N)c2nnc(-c3ccccc3)n2C)ccc1OCC(=O)Nc1ccccc1Cl 108968058 SLBBZDNIXPTHPJ-ZHZULCJRSA-N 499.958 5.226 50 10 JKGE Cc1cc([C@H](Br)c2c(F)cc(Br)cc2F)sc1Br 122342493 SBXPGTYAFHJJMS-NSHDSACASA-N 460.963 6.344 50 10 JKGE COc1c(C)cc(Br)c(C)c1[C@H](Br)c1cccc(Cl)c1Cl 125698502 CYYCQMCTASDJMB-CQSZACIVSA-N 453.001 6.866 50 10 JKGE COc1c(C)cc(Br)c(C)c1[C@@H](Br)c1ccc(Cl)c(Cl)c1 125763908 VWCLHZSQZFOZBM-HNNXBMFYSA-N 453.001 6.866 50 10 JKGE Fc1cc(F)c([C@H](Br)c2cc(Br)c(Br)s2)c(F)c1 128191329 MBZPNTIZTDLSNJ-SNVBAGLBSA-N 464.926 6.175 50 10 JKGE Fc1cccc(Cl)c1[C@H](Br)c1cc(Br)c(Br)s1 128231307 MRQPCASPBARZRI-SNVBAGLBSA-N 463.391 6.550 50 10 JKGE Cc1cc(Cl)cc([C@H](Br)c2cc(Br)sc2Br)c1 157690627 GNXNXZCLZDWMOB-NSHDSACASA-N 459.428 6.719 50 10 JKGE CCCCCCCCO[C@](C)(CI)c1ccccc1Br 162207218 XHFQHWVSGGTYEO-QGZVFWFLSA-N 453.202 6.476 50 10 JKGE BrCC(CBr)(Cc1cncs1)c1cccc(Br)c1 165554082 XFDRYAULDWKXPI-UHFFFAOYSA-N 454.025 5.176 50 10 JKGE CCOc1cc(/C=N\NC(=O)c2ccc3[nH]c4c(c3c2)C[C@H](C)CC4)cc(Cl)c1OCC 169891333 KIVNLHANQLWLSC-NODVXYSWSA-N 453.970 5.507 50 10 JKGE CCOc1cc(/C=C(/C#N)c2nc(-c3ccc(Cl)cc3)cs2)cc(Cl)c1OC(C)C 169939234 HPCOFEGTDONJPP-MFOYZWKCSA-N 459.398 7.367 50 10 JKGE CCC[Si](CCC)(CCC)O[C@@H](c1ccccc1)[C@H](OCC)O[Si](CCC)(CCC)CCC 205991840 PRXPLOCAKJWFFT-WUFINQPMSA-N 494.909 9.475 50 10 JKGE CCOc1ccc(/C=C(/C#N)C(=O)Nc2sc(C)c(-c3ccc(F)cc3)c2C(=O)OC)cc1 206882382 HKBOYEYMYJVJNL-AQTBWJFISA-N 464.518 5.594 50 10 JKGE CCOc1ccc(C)cc1[C@H](C)N/C=C(/C#N)C(=O)Nc1ccc(I)cc1C 217253832 IICBSZAVDRWRBV-MUBYSKIDSA-N 489.357 5.004 50 10 JKGE Cl[C@@H](c1cc(Br)c(Br)s1)c1cc(Br)cc2c1OCC2 228438278 KWIMCVLIPUIIKJ-LLVKDONJSA-N 487.438 6.299 50 10 JKGE BrC[C@@H](Cc1cc(Br)cc2c1OCC2)c1ccccc1Br 228556447 HJCMFONHZDTMMV-CYBMUJFWSA-N 475.018 5.868 50 10 JKGE ClCc1nc2cc(Br)ccc2n1-c1c(Br)cccc1Br 232133882 BEMXHLWJIXEJQP-UHFFFAOYSA-N 479.397 6.052 50 10 JKGE CCCOc1ccc([C@H](Br)c2cc(Cl)sc2Cl)cc1Br 233253305 GKGUQUVOCNHGFE-ZDUSSCGKSA-N 459.030 7.091 50 10 JKGE CCOc1ccc(Br)cc1[C@H](Br)c1cc(Cl)ccc1Br 233784387 YPIGKOBQFICQDK-OAHLLOKOSA-N 483.425 6.748 50 10 JKGE Cc1ccc(C)c([C@@H](Br)c2cc(Br)ccc2I)c1 235864858 MWJARUOMADRASJ-OAHLLOKOSA-N 479.981 6.155 50 10 JKGE Clc1ccc([C@H](Br)c2cc(I)ccc2Br)s1 236066377 PRNIWYDRAHTUJZ-LLVKDONJSA-N 492.401 6.253 50 10 JKGE COc1ccc(C=NNC(=O)c2cc(-c3ccc(C)c(C)c3)nc3ccccc23)c(OC)c1C 252626077 QVUPSQXNESLKHY-UHFFFAOYSA-N 453.542 5.608 50 10 JKGE Cc1cccc([C@H](Br)c2cc(F)c(F)cc2Cl)c1I 300472509 PKJRMYHERLMHHC-ZDUSSCGKSA-N 457.483 6.016 50 10 JKGE CC[C@@H]1CCC[C@@H](O[C@@](C)(CI)CN(CC)C(=O)OC(C)(C)C)C1 303741486 OQBAOLNPKWYSGY-MDZRGWNJSA-N 453.405 5.423 50 10 JKGE BrCc1sc2c(I)cccc2c1I 307424387 PXAJCFMLZAZVCA-UHFFFAOYSA-N 478.918 5.005 50 10 JKGE O=C(OCc1ccccc1)N1C[C@H](CBr)[C@H](c2ccc(F)c(Br)c2)C1 382739780 YWYMVYINOKSZHX-HOTGVXAUSA-N 471.164 5.335 50 10 JKGE Cc1cc(Br)c([C@H](Br)c2csc(Cl)c2)cc1Br 393587194 TZQNQRKEVSGMPA-GFCCVEGCSA-N 459.428 6.719 50 10 JKGE C[C@@H](Cl)c1nc2cc(I)c(F)cc2n1[C@@]1(C)CCN(Cc2ccccc2)C1 405974929 XBJSYOLUOIRVRO-SZNDQCEHSA-N 497.783 5.701 50 10 JKGE COc1ccc([C@@H](Br)c2scc(Br)c2Br)c(F)c1 707817461 DVBXBDOMRAUMHS-SNVBAGLBSA-N 458.972 5.905 50 10 JKGE Cc1cc(Br)c([C@H](Br)c2cscc2Cl)cc1Br 711558159 HHFYHXAQYVWCJP-LBPRGKRZSA-N 459.428 6.719 50 10 JKGE Fc1ccc(N2CC[C@@H]3[C@@H](CCCN3Cc3ccccc3)C2)c(CBr)c1Cl 715015062 OQVWUBYIFGJDRQ-FXAWDEMLSA-N 451.811 5.865 50 10 JKGE Cc1cc(Br)cc(CBr)c1OCc1sncc1Br 719821956 ZRDCARYFCKXJSK-UHFFFAOYSA-N 455.997 5.450 50 10 JKGE Cc1sc([C@@H](Cl)c2ccc(Br)cc2Br)c(C)c1Br 724985788 VDOIKDHCHLXIDG-LBPRGKRZSA-N 473.455 6.981 50 10 JKGE CCOc1cc(/C=C(/C#N)C(=O)Nc2ccc(F)cc2)ccc1OCc1cccc2ccccc12 725420928 GEICUXBUTVUBRC-KQWNVCNZSA-N 466.512 6.502 50 10 JKGE N#CC1=C(N)Oc2c(c(-c3ccccc3)nn2Cc2cccc(Cl)c2)[C@H]1c1ccc(Cl)cc1 1865683735 OBWROFAYVJGHBS-QFIPXVFZSA-N 473.363 6.123 50 10 JKGE Cc1ccc(C)c(Cn2nc(C(F)(F)F)c3c2OC(N)=C(C#N)[C@H]3c2ccc(C(C)C)cc2)c1 1865686043 PTLQYFDKJHYAIG-OAQYLSRUSA-N 466.507 5.909 50 10 JKGE CCc1nn(-c2ccc(Cl)c(Cl)c2)c2c1[C@@H](c1ccc(C(C)C)cc1)C(C#N)=C(N)O2 1865686287 UDCVMIJRWYEQOV-NRFANRHFSA-N 453.373 6.083 50 10 JKGE CCCc1nn(Cc2ccc(Cl)cc2)c2c1[C@@H](c1c(OC)ccc3ccccc13)C(C#N)=C(N)O2 1865688114 JSZBLWDBPUCLHG-RUZDIDTESA-N 484.987 5.917 50 10 JKGE Cc1ccsc1[C@H]1C(C#N)=C(N)Oc2c1c(-c1ccccc1)nn2-c1ccc(Br)cc1 1865699118 LESATTYKZVVNLM-IBGZPJMESA-N 489.398 5.890 50 10 JKGE N#CC1=C(N)Oc2c(c(C(F)(F)F)nn2-c2ccc(Cl)c(Cl)c2)[C@H]1c1c[nH]c2ccccc12 1865700135 LPXXOSXDWCBRDI-QGZVFWFLSA-N 490.272 5.897 50 10 JKGE N#CC1=C(N)Oc2c(c(-c3ccccc3)nn2Cc2ccc(Cl)c(Cl)c2)[C@@H]1c1ccccn1 1865700204 NCSNNZKQMGGAQX-NRFANRHFSA-N 474.351 5.518 50 10 JKGE CCOC(=O)c1c(-c2ccc3c(c2)CCCC3)csc1NC(=O)/C(C#N)=C/c1cccc(F)c1 1866131542 ZYPHUFYCHJYMBE-CIAFOILYSA-N 474.557 6.155 50 10 JKGE N#CSc1ccc(NC(=O)[C@@H](Cc2ccc(F)cc2)NC(=O)CCCC(=O)c2cccs2)cc1 1866793609 GZXLIGGYVUBLNA-OAQYLSRUSA-N 495.601 5.180 50 10 JKGE CC[C@@H](NC(=O)[C@H](c1ccc(OC)cc1)C1CCCC1)C(=O)Nc1ccc(SC#N)cc1 1867010809 HAVLHMIGWRKRLG-PKTZIBPZSA-N 451.592 5.076 50 10 JKGE N#C/C(=C(/O)Cc1ccc(OCc2ccccc2)cc1)c1nc(-c2ccccc2Cl)cs1 1872746681 SMKKYTDRASZRFE-LVWGJNHUSA-N 458.970 7.078 50 10 JKGE CCOc1ccc(-c2csc(/C(C#N)=C(\O)C34CC5CC(CC(C5)C3)C4)n2)c(OCC)c1 1872755361 JXGIVRSTTGMHEV-FLFQWRMESA-N 450.604 6.617 50 10 JKGE Cc1ccc(-c2csc(/C(C#N)=C(O)/C=C/c3ccc(OCc4ccccc4)cc3)n2)cc1C 1872756151 FBJLYSCIYZRALA-ZLDLXXMFSA-N 464.590 7.512 50 10 JKGE COc1ccc(Cl)cc1-c1csc(/C(C#N)=C/c2ccc(OCc3ccc(Cl)cc3)cc2)n1 1872794909 CSFLJWPFAAHPTN-XDHOZWIPSA-N 493.415 7.769 50 10 JKGE O=C(N/N=C/c1cccc(OCc2ccc(Cl)cc2Cl)c1)c1ccc2[nH]c3c(c2c1)CCCC3 1873498466 OMSVRXZYTHLVPY-FJEPWZHXSA-N 492.406 6.696 50 10 JKGE Cc1cc(S(=O)(=O)N(Cc2ccccc2)[C@H](CBr)C2CC2)sc1Br 1915170272 QBERPGDQGISIIV-OAHLLOKOSA-N 493.286 5.183 50 10 JKGE CC(C)(CBr)N(Cc1ccccc1)C(=O)c1cccc(Br)c1Cl 1915737904 JVXBHTOTNURXOE-UHFFFAOYSA-N 459.609 5.918 50 10 JKGE CN(Cc1ccc(Br)cc1Br)C[C@H](Cl)COCc1ccccc1 1916334704 JOEPPLRHDVZQSM-KRWDZBQOSA-N 461.625 5.468 50 10 JKGE Brc1cc(Br)c([C@@H](Br)C2C3CC4CC(C3)CC2C4)s1 1922954573 PNGWQCMMDMETAX-HNVPQFPVSA-N 469.080 6.781 50 10 JKGE FC(F)C(F)(F)[C@H](Br)c1c(Br)sc(Br)c1Cl 1923073278 VVIIMAUQSNRTOY-GSVOUGTGSA-N 469.317 6.263 50 10 JKGE Fc1ccc([C@@H](Br)Cc2ccncc2Br)c(I)c1 1924054115 WJIOQZHNLJZOMC-NSHDSACASA-N 484.932 5.267 50 10 JKGE Cl[C@@H](c1c(Br)sc(Br)c1Br)[C@H]1COc2ccccc21 1924596865 UYJSZBFMYKZKAI-WRWORJQWSA-N 487.438 6.492 50 10 JKGE C[C@@H]1COc2ccc([C@H](Br)c3scc(Br)c3Br)cc21 1925670423 NBHXMGKXTKPSCL-KRTXAFLBSA-N 467.020 6.253 50 10 JKGE C[C@H]1COc2ccc([C@H](Br)c3cc(Br)c(Br)s3)cc21 1925718031 BKUYOLKXLRHAEV-CPFSXVBKSA-N 467.020 6.253 50 10 JKGE Cc1sc(Br)cc1[C@H](Cl)c1csc(Br)c1Br 1937735007 UDPQZRKZDWDBGM-VIFPVBQESA-N 465.457 6.734 50 10 JKGE C[C@@H]1[C@H]([C@@H](Br)c2c(Br)sc(Br)c2Br)[C@@H]1C 1959037571 KRTUVOLRWKQCFV-LPWFLVPJSA-N 481.873 6.374 50 10 JKGE C[C@@H]1C[C@]2([C@@H](Br)c3c(Br)sc(Br)c3Br)C[C@@H]12 1977062253 KHXKYTZPMCHXDX-VPGFWCDXSA-N 493.884 6.518 50 10 JKGE ClC[C@@H](C1CC1)N(Cc1ccccc1)Cc1cc(Br)ccc1Br 1982458459 XACVRZAOTFGNSB-IBGZPJMESA-N 457.637 6.231 50 10 JKGE COC1CC(C[C@@H](Cl)c2c(Br)sc(Br)c2Br)C1 2002408900 TYUNHLGLLGPUHH-KPGICGJXSA-N 467.448 6.131 50 10 JKGE CN(c1cc(Br)cc(F)c1CBr)[C@@H]1CC[C@H]1OCc1ccccc1 2004047641 RMASBWUSXZOYEU-IEBWSBKVSA-N 457.181 5.667 50 10 JKGE CC[C@H]([C@H](Br)c1c(Br)sc(Br)c1Cl)C(C)(F)F 2004478055 HUHXWUMTDXBBEP-XINAWCOVSA-N 475.418 7.044 50 10 JKGE FC1(F)C[C@]12C[C@@H]2[C@H](Cl)c1c(Br)sc(Br)c1Br 2004507409 LZTKABZHUJMXHS-PHTXQJRJSA-N 471.386 6.361 50 10 JKGE ClCc1nc2cc(I)ccc2n1C1CC(COCc2ccccc2)C1 2031750269 QJAJNUNCJBNIBW-UHFFFAOYSA-N 466.750 5.548 50 10 JKGE Cc1c(Br)sc([C@H](Br)[C@]2(C)C[C@H]2C(F)(F)F)c1Br 2039184755 DYLOXKQJBVQGSZ-CPBLVBHUSA-N 470.974 6.606 50 10 JKGE COc1cc(C=C(C#N)c2nc3ccccc3s2)ccc1OCC(=O)Nc1ccc(C)cc1 2040447711 WUJMATNHQMVECE-UHFFFAOYSA-N 455.539 5.695 50 10 JKGE Cc1c(Br)ccc([C@@H](Cl)c2cc(Br)c(Cl)s2)c1Br 2083319290 XQUDBRRKYLPVDO-LLVKDONJSA-N 493.873 7.326 50 10 JKGE CCc1nc(Br)c(Br)n1C[C@@H](CBr)c1ccccc1 2087649752 XNPNQULVJDGLNQ-LLVKDONJSA-N 451.000 5.149 50 10 JKGE Cc1ncsc1C(C#N)=C(Cl)c1ccc(I)c(Br)c1 2096235024 BVQOBKWZQKUITC-UHFFFAOYSA-N 465.541 5.449 50 10 JKGE O=C1Cc2cc([C@H](Br)c3cscc3OCc3ccccc3)c(Br)cc2N1 2100090664 AVINWDGMQVCYIE-FQEVSTJZSA-N 493.220 6.069 50 10 JKGE Cc1cc(Br)c([C@@H](Br)C23CCOC(C)(C2)C3)cc1Br 2108693106 CSFKDCGOPJFONV-WLYUNCDWSA-N 453.012 5.915 50 10 JKGE Brc1cc([C@H](Br)[C@@H]2CC3(CCCCC3)CO2)sc1Br 2109978153 CRVSQRRNYJDCDE-CMPLNLGQSA-N 473.068 6.449 50 10 JKGE ClCCc1nc2cc(Cl)c(Br)cc2n1[C@@H]1CCN(Cc2ccccc2)C1 2112700067 RSEJEMMJXVOOKA-OAHLLOKOSA-N 453.211 5.681 50 10 JKGE Fc1ccc([C@@H](Br)CCc2cccc(Br)c2Br)cc1 2113382254 SEHCLNXWJBYVCE-ZDUSSCGKSA-N 450.971 6.420 50 10 JKGE CCn1cc(Br)c([C@@H](Br)c2ccc(C)c(Br)c2C)n1 2124774213 SZJCXONQKSNMJW-ZDUSSCGKSA-N 451.000 5.529 50 10 JKGE Cc1cc(Cl)c(Br)cc1[C@@H](Cl)c1cc(Cl)ccc1I 2137654982 KGBNTVLCNKFPCD-CQSZACIVSA-N 490.393 6.997 50 10 JKGE CC[C@H](Br)[C@@H]1CCCCN1C(=O)c1ccc(I)c(Cl)c1 2170615235 RDZUSBWNXWJSSE-FZMZJTMJSA-N 470.576 5.113 50 10 JKGE CC[C@H](C[C@@H](Br)c1c(C)c(Br)cc(C)c1Br)C(C)(C)C 2201062896 QLFQIJKBRXBOHJ-TZMCWYRMSA-N 469.099 7.727 50 10 JKGE COc1cc(F)c(F)cc1[C@H](Br)c1ccc(I)c(Cl)c1 2204492845 AQNCLJGJKVAFKX-CQSZACIVSA-N 473.482 5.716 50 10 JKGE C[C@@H](CCBr)N(Cc1ccccc1)C(=O)Cc1ccc(Br)cc1Cl 2215855141 YPBRLWDOSULQNP-AWEZNQCLSA-N 473.636 5.847 50 10 JKGE Cc1cc(Br)c([C@@H](Br)c2occc2Br)c(C)c1Cl 2217607338 BWJNVBLOFFGQIU-LLVKDONJSA-N 457.387 6.559 50 10 JKGE Cc1cc(Br)c([C@@H](Br)c2nscc2Br)c(C)c1Cl 2217608744 RAONCSAPNCYQPD-SNVBAGLBSA-N 474.443 6.423 50 10 JKGE Cc1sc([C@H](Cl)c2c(Br)sc(Br)c2Br)c(C)c1C 2221244309 BPMAJJQQFLBWHQ-SECBINFHSA-N 493.511 7.351 50 10 JKGE Cc1ccc([C@H](C)[C@@H](Br)c2cc(Br)c(Br)s2)cc1 2223969514 QSTNAJQLKUWNLJ-TVQRCGJNSA-N 453.037 6.821 50 10 JKGE CC[C@@]1([C@@H](Br)c2c(Br)cc(Cl)c(Cl)c2Cl)CCCO1 2224325094 XEWDJOSYLDPVCX-STQMWFEESA-N 451.413 6.805 50 10 JKGE Cc1cc(Br)c([C@H](Br)[C@H]2[C@H]3CCCCC[C@H]32)c(C)c1Br 2235599263 LQLJACCKERSENE-RBNVPPIJSA-N 465.067 7.091 50 10 JKGE O=C(c1ccc(Br)cc1Br)N1C[C@H](Br)CC12CCCC2 2241026994 QFDNNFUWJWWEIF-LLVKDONJSA-N 466.011 5.134 50 10 JKGE CC[C@H](Br)CN(Cc1ccccc1)C(=O)c1cc(F)c(Br)cc1F 2247858797 HNNBPZWVXLPXQC-ZDUSSCGKSA-N 461.144 5.543 50 10 JKGE C[C@@H]1C[C@H]1CCCCO[C@@]1(CI)CCCN(C(=O)OC(C)(C)C)C1 2248463099 LWDLRBVHMRKOOL-GPMSIDNRSA-N 451.389 5.034 50 10 JKGE CC1CCC(CO[C@@]2(CI)CCCN(C(=O)OC(C)(C)C)C2)CC1 2250266604 WJWDKZPLOWRBGC-LADRWXRNSA-N 451.389 5.034 50 10 JKGE Clc1c(Br)sc(Br)c1[C@H](Br)[C@]12CCC[C@H]1CC2 2251091019 BPIQROOFWXBCJG-HQLZOWSPSA-N 463.460 6.943 50 10 JKGE Fc1cccc(F)c1[C@H](Br)Cc1cc(Br)cc(Br)c1 2277960589 JRBWULMFUVOVAC-LLVKDONJSA-N 454.934 6.169 50 10 JKGE COc1cc(Cl)ccc1[C@@H](Br)c1cc2sc(Br)cc2s1 2295508751 HSZGJIUNUADLCH-CQSZACIVSA-N 452.620 6.872 50 10 JKGE CCCOc1ccc(-c2nn(-c3ccccc3)cc2C=C(C#N)C(=O)NC2CCCCC2)cc1C 2296729329 APGAVESUQGGXJX-UHFFFAOYSA-N 468.601 5.992 50 10 JKGE Brc1cc(OCc2ccccc2)ccc1[C@H](Br)[C@@H]1C[C@H]2C[C@@H]2CO1 2299488381 GBKYKWAYQHOUHH-IPZZXCBHSA-N 452.186 5.889 50 10 JKGE N#CC(=Cc1ccc(OCc2ccc(Br)cc2)cc1)C(=O)Nc1cccc([N+](=O)[O-])c1 2313670594 IUKRJXNYVSXKSS-UHFFFAOYSA-N 478.302 5.482 50 10 JKGE CCOC(=O)C(C#N)=Cc1ccc(OC(=O)c2sc3ccc(OC)cc3c2Cl)c(OCC)c1 2314792531 PADXIMUETBLXTD-UHFFFAOYSA-N 485.945 5.651 50 10 JKGE C[C@@H]1C[C@]2([C@H](Br)c3c(Cl)cc(Br)c(F)c3Br)C[C@H]12 2315442097 PEGAIAPZRXPIGK-RGORQWHNSA-N 461.394 6.486 50 10 JKGE C[C@]12C[C@H](C1)[C@H]([C@H](Br)c1ccc(OCc3ccccc3)cc1Br)CO2 2315933971 SJMDQUXIWXKVHJ-SKBHOOIQSA-N 466.213 6.279 50 10 JKGE CC(C)(c1ccccc1)[C@H](Br)c1sc(Cl)cc1I 2316769013 FLTXUXOKNRLGJU-CYBMUJFWSA-N 455.586 6.420 50 10 JKGE C[C@H]1CC2CC([C@H](Br)c3cc(Br)ccc3OCc3ccccc3)(C2)O1 2319568837 HGHMXGMKFKGGHI-QQXDYHRVSA-N 466.213 6.422 50 10 JKGE N#CC(=Cc1cccc(OC(=O)C=Cc2ccc(Cl)cc2Cl)c1)c1cccc(Cl)c1 2320506657 OQBXELNXRVHNHN-UHFFFAOYSA-N 454.740 7.330 50 10 JKGE CC[C@H](NC=C(C#N)C(=O)Nc1ccc(Oc2ccccc2)cc1)c1ccc2c(c1)CCCC2 2325129700 HRDVOQWFEUNVMG-NDEPHWFRSA-N 451.570 6.445 50 10 JKGE COc1ccc(-c2csc(C(C#N)=C(O)C(c3ccccc3)c3ccccc3)n2)cc1OC 2331242276 KFVNXUCGABBVAP-UHFFFAOYSA-N 454.551 6.452 50 10 JKGE N#CC(=C(O)CCCCCNC(=O)c1ccccc1)c1nc(-c2cccc(Br)c2)cs1 2331279126 MFCYWTRDEXYRNB-UHFFFAOYSA-N 496.430 6.356 50 10 JKGE CCCOc1ccc(-c2csc(C(C#N)=C(O)[C@H]3CC(=O)N(C(C)(C)C)C3)n2)cc1OCCC 2331293361 AOAASCZENXGIPD-SFHVURJKSA-N 483.634 5.827 50 10 JKGE CCCCCCCOc1ccc(-c2csc(C(C#N)=C(O)C=Cc3ccc(C(C)C)cc3)n2)cc1 2331345444 KZFZIMMLRZHGDW-UHFFFAOYSA-N 486.681 8.789 50 10 JKGE CCCOc1ccc(CC(O)=C(C#N)c2nc(-c3cc(C(C)C)c(OC)cc3C)cs2)cc1 2331352088 CIEDSCWXIBKGIV-UHFFFAOYSA-N 462.615 7.075 50 10 JKGE CCOc1ccc(-c2csc(C(C#N)=C(O)CCc3nc4ccccc4[nH]c3=O)n2)c(OCC)c1 2331389009 GFOSQEGCMOSBML-UHFFFAOYSA-N 488.569 5.269 50 10 JKGE CCOc1ccc(C=C(C(O)=C(C#N)c2nc(-c3c(C)cc(C)cc3C)cs2)c2ccccc2)cc1 2331394016 SRKSZQCFEOMHQZ-UHFFFAOYSA-N 492.644 8.168 50 10 JKGE CC(C)CC1([C@H](Br)c2ccc(OCc3ccccc3)cc2Br)CCCC1 2336051085 PAWQHMAWMJJWCA-JOCHJYFZSA-N 480.284 8.071 50 10 JKGE CC1(C)OCCC[C@]1(CBr)Cc1ccc(Cl)c(I)c1 2337226602 AYKAKAUTSYHIOW-OAHLLOKOSA-N 457.577 5.457 50 10 JKGE COc1cc(C)c(Br)c(C)c1[C@@H](Br)c1cnsc1Br 2337307964 OPTSJFSHKWAWPN-LBPRGKRZSA-N 470.024 5.778 50 10 JKGE Clc1cc(Cl)cc(CC[C@@H](Br)c2ccccc2OCc2ccccc2)c1 2341184255 NVSXZBHMEGIDKO-OAQYLSRUSA-N 450.203 7.641 50 10 JKGE CCCC(CBr)(CBr)Cc1c(OC)ncc(Br)c1C 2342382266 MXNYLSBSZNEJRA-UHFFFAOYSA-N 458.032 5.280 50 10 JKGE ClC[C@@H](Cc1ccc(I)c(Br)c1)c1ccc(Cl)cc1 2349843098 RVDICMKRJLGQKC-GFCCVEGCSA-N 469.975 6.272 50 10 JKGE COc1c(F)c(F)cc([C@H](Br)c2cc(Br)c(Br)s2)c1F 2361165159 HLQPBVOGLBOJBL-QMMMGPOBSA-N 494.952 6.183 50 10 JKGE Cc1c(F)ccc([C@@H](Br)c2cc3sc(Br)cc3s2)c1Cl 2363898389 UFXYHXFNBUEXNA-CYBMUJFWSA-N 454.611 7.311 50 10 JKGE Cc1ccc(CS/C(Nc2cccc(Cl)c2C)=C(/C#N)S(=O)(=O)c2ccccc2)cc1 12437642 AVMCPPOCXMASJQ-VHXPQNKSSA-N 469.031 6.469 50 10 JKGE C[C@H](NC(=O)/C(C#N)=C/c1ccc(OCc2ccccc2)c(OCc2ccccc2)c1)c1ccccc1 12624632 SBQWUNRGKBLXGZ-IEIKYZJLSA-N 488.587 6.629 50 10 JKGE N#C/C(=C/c1ccc(OC(=O)c2ccc(S(=O)(=O)N3CCCCC3)cc2)cc1)c1ccccc1F 31901634 WQCJRWMLLZTSFF-PYCFMQQDSA-N 490.556 5.284 50 10 JKGE C/C(CCc1ccc2c(c1)OCO2)=N/NC(=O)c1ccc(CN2C(=O)c3cccc4cccc2c34)cc1 34704174 UWQYJDNWCVVGSS-DXJNIWACSA-N 491.547 5.467 50 10 JKGE CCCOc1ccc(-c2nn(-c3ccccc3)cc2/C=C(/C#N)c2nc(O)c3ccccc3n2)cc1 34983887 YHBRNGUUXFKYIY-FXBPSFAMSA-N 473.536 6.041 50 10 JKGE Cc1ccc(OCC(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@@H]3c2ccc(C(C)(C)C)cc2)cc1 38649717 DKRSZPJHEQBCNH-HHHXNRCGSA-N 468.553 5.495 50 10 JKGE CCCCOc1ccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4ccc(C)cc4)ccc32)cc1OC 38660047 XDYKIUCCBBTMRT-MHZLTWQESA-N 484.552 5.620 50 10 JKGE CCCCCOc1ccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)Cc4ccccc4)ccc32)cc1OC 38660309 JBLDVGFASPOBGO-GDLZYMKVSA-N 498.579 5.630 50 10 JKGE Cc1ccc2oc(C(=O)Oc3ccc4c(c3)OC(N)=C(C#N)[C@H]4c3cccc([N+](=O)[O-])c3)c(C)c2c1 38688195 PWLZEFWWSWSUJL-DEOSSOPVSA-N 481.464 5.395 50 10 JKGE CCc1ccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4oc5cc(C)cc(C)c5c4C)ccc32)cc1 38700458 QXJHWOJQXPYFRJ-MHZLTWQESA-N 478.548 6.358 50 10 JKGE O=C(C1CCCCC1)N(/N=C/c1ccc([N+](=O)[O-])cc1)c1nc2ccc(Br)cc2s1 39713779 PEPXYJYMKAJFMK-YDZHTSKRSA-N 487.379 5.914 50 10 JKGE CCOc1cc(/C=C(\C#N)C(=O)N[C@H](C)c2ccccc2)ccc1OCc1ccc(Cl)cc1Cl 40007605 VKUKHRCSSQNRRI-MNOULKQQSA-N 495.406 6.755 50 10 JKGE CC(C)Oc1ccc(C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@H]3c2c(Cl)cccc2Cl)cc1 40529658 DLEURBXPNZLCDC-QHCPKHFHSA-N 495.362 6.218 50 10 JKGE COc1ccc(C)cc1NC(=O)c1oc2c(c1C)/C(=N/NC(=O)c1ccc(Cl)cc1)CCC2 40811618 JQRZTYOYJJQHGH-MTDXEUNCSA-N 465.937 5.281 50 10 JKGE COc1cc(/C=C(\C#N)c2ccccc2)ccc1OC(=O)c1ccccc1CCc1ccccc1 40851046 BUYJQDGLAUJYJA-NHFJDJAPSA-N 459.545 6.764 50 10 JKGE O=C(COc1ccc(-c2ccccc2)cc1Br)N/N=C/c1ccc(Br)cc1 40902709 IJGBVZXTMJQQKZ-ZMOGYAJESA-N 488.179 5.408 50 10 JKGE Cc1ccc(COc2ccc(/C=N/NC(=O)[C@@H](C)Oc3cc(C)c(Cl)c(C)c3)cc2)cc1 40960401 BCXLRKISNQVTIZ-ZTAUZCEESA-N 450.966 5.762 50 10 JKGE COc1ccc(/C(CSc2nc3ccccc3o2)=N\NC(=O)c2ccccc2Cl)cc1 59460716 MBIRGTLWOIAGMQ-QOMWVZHYSA-N 451.935 5.416 50 10 JKGE COc1cc(Br)c([C@@H](Br)c2cc(F)cc(Br)c2)cc1OC 109860113 POFVLUZWIKVFOF-HNNXBMFYSA-N 482.969 5.852 50 10 JKGE Clc1cc2c(cc1[C@H](Cl)c1cc(Br)c(Br)s1)OCCO2 128544151 UEEIJWIZLXMQEU-LBPRGKRZSA-N 458.986 6.026 50 10 JKGE O=C1CCc2cc([C@@H](Br)c3cc(Br)ccc3Br)ccc2N1 161083510 RRPPANCTWQBBPY-MRXNPFEDSA-N 473.990 5.581 50 10 JKGE Brc1cccc([C@@H](CI)O[C@@H]2CCCc3ccccc32)c1 162078893 NRHVYYFNCXJZCC-QZTJIDSGSA-N 457.149 6.019 50 10 JKGE CCOc1cc(/C=N\NC(=O)c2c(C)ccc3ccccc23)ccc1OCc1ccccc1F 169921561 YLVLOIBTPTVDBW-LQNQUEJISA-N 456.517 6.029 50 10 JKGE CCOc1cc(/C=C(/C#N)c2nc3cc(C)c(C)cc3[nH]2)ccc1OCc1cc(C)ccc1C 169939795 IXSPKKVICLUAAU-UCQKPKSFSA-N 451.570 6.838 50 10 JKGE Cc1sc([C@@H](Cl)c2cc(Br)ccc2Br)cc1Br 227823150 JZIPNGMOMGKJEV-LBPRGKRZSA-N 459.428 6.672 50 10 JKGE C[C@H]1Cc2cc([C@@H](Br)c3cc(Cl)ccc3I)ccc2O1 235766762 AMQIXSFHPIITCZ-XXFAHNHDSA-N 463.540 5.752 50 10 JKGE Cc1cc(Br)c([C@H](Cl)c2csc(Br)c2)cc1Br 235824624 RRKUQHSCIRDJKT-GFCCVEGCSA-N 459.428 6.672 50 10 JKGE Clc1cc2c(c([C@H](Cl)c3cc(I)ccc3Br)c1)OCC2 236039606 CLKCMKPDDXYVGU-CQSZACIVSA-N 483.958 5.970 50 10 JKGE Clc1ccc(Br)c([C@@H](Br)Cc2ccc(Br)cc2)c1 236050835 RRPAMFBNXUXPFS-AWEZNQCLSA-N 453.399 6.544 50 10 JKGE Fc1cc(Cl)c([C@@H](Br)c2ccc(Br)cc2Br)cc1F 236210616 UVJCVOGHJGVTTL-ZDUSSCGKSA-N 475.352 6.628 50 10 JKGE COc1ccccc1/C=C\C=NNC(=O)CSc1nc2ccccc2n1Cc1ccccc1 254311804 LXUCPBVDTUEIEM-ZXEOMTBASA-N 456.571 5.001 50 10 JKGE COc1cc(C=NNC(=O)Cc2cccc3ccccc23)ccc1OC(=O)/C=C/c1ccccc1 254652626 CKPWYIKKNFDMMO-BYWJFRHGSA-N 464.521 5.160 50 10 JKGE Cc1cc(Br)c([C@@H](Br)Cc2ccc(Cl)c(Cl)c2)cc1Cl 312334248 UUSJVZQVZMUUFU-LBPRGKRZSA-N 457.420 7.396 50 10 JKGE Cc1cc([C@H](Br)c2ccccc2OCc2ccccc2)c(C)cc1Br 381274507 SMQZFOCVTLDQJV-JOCHJYFZSA-N 460.209 7.129 50 10 JKGE COc1cc2c(cc1C)nc([C@@H](C)Cl)n2CCCN(Cc1ccccc1)Cc1ccccc1 390471664 HMJJFKHXRQAJPJ-JOCHJYFZSA-N 462.037 6.746 50 10 JKGE CC(C)(C)OC(=O)NCCN1CCOC[C@@H]1c1ccccc1CCO[Si](C)(C)C(C)(C)C 616600206 BTKHGWQCOOSQRM-JOCHJYFZSA-N 464.723 5.149 50 10 JKGE Brc1cc2c(cc1[C@@H](Br)c1occc1Br)OCCCO2 696536009 QRQJMFMEVSHOJA-CYBMUJFWSA-N 466.951 5.450 50 10 JKGE Fc1c(Br)ccc(COc2ccc(Br)c(CBr)c2)c1F 700991222 UWXYQYBTHLPNLT-UHFFFAOYSA-N 470.933 5.964 50 10 JKGE COc1ccc([C@H](Br)Cc2ccc(Br)cc2F)cc1Br 710301286 WJWCQULSDZUQRM-GFCCVEGCSA-N 466.970 6.038 50 10 JKGE COc1cc(CBr)c(F)cc1OCc1nc2ccccc2n1Cc1ccccc1 725412193 XFSKCEGIXDESSS-UHFFFAOYSA-N 455.327 5.706 50 10 JKGE COc1cc(/C=C\C(=O)Oc2ccc([N+](=O)[O-])cc2)ccc1OCc1ccc(Br)cc1 1082441975 LOUWXDJCBLIFAV-ACAGNQJTSA-N 484.302 5.564 50 10 JKGE N#C/C(=C\c1ccc(OCc2ccc(Cl)c(Cl)c2)cc1)C(=O)Nc1cccc(Cl)c1Cl 1083892602 KAFWKIUMQNTPAD-MHWRWJLKSA-N 492.189 7.425 50 10 JKGE COc1cc(/C=C(\C#N)C(=O)Nc2cccc(Cl)c2)ccc1OCc1ccccc1Cl 1083978674 RONHQBWTFBXQRM-WOJGMQOQSA-N 453.325 6.127 50 10 JKGE O=C(NN=Cc1ccc(OCc2cccc3ccccc23)cc1)c1ccccc1Br 1083994912 QYSFNZUTYIVQBC-UHFFFAOYSA-N 459.343 5.945 50 10 JKGE O=C(C=C(Sc1ccccc1)Sc1ccccc1)NN=Cc1cccc(Cl)c1Cl 1084326320 ZOHNZGVDAQSZOI-UHFFFAOYSA-N 459.423 6.870 50 10 JKGE C[C@@H](NC(=O)/C(C#N)=C/c1cc(Br)ccc1OCc1ccccc1Cl)c1ccccc1 1084353246 ZUEGEYXNURXESC-VYVDHXHBSA-N 495.804 6.466 50 10 JKGE CC(=NNC(=O)CSCc1cc(C)cc(C)c1)c1cccc(NC(=O)c2cccc(Cl)c2)c1 1084536075 ICLLPHIGMURPQC-UHFFFAOYSA-N 480.033 5.983 50 10 JKGE COc1ccc(C=NNC(=O)c2ccc(-n3c(C)ccc3-c3ccccc3)cc2)cc1Br 1084595569 PEQNAPOBOKYOKS-UHFFFAOYSA-N 488.385 5.988 50 10 JKGE O=C(OCc1ccccc1)N1C[C@@H](CBr)[C@@H](c2cccc(OC(F)(F)F)c2)C1 1614689517 BFCBIVVAZRXGQR-SJLPKXTDSA-N 458.274 5.332 50 10 JKGE Cc1cc(Br)cc(C)c1OCC(=O)NN=Cc1ccccc1OCc1ccccc1 1772753648 ZKTOLPZOQIDQQO-UHFFFAOYSA-N 467.363 5.174 50 10 JKGE COc1ccc2ccccc2c1[C@@H]1C(C#N)=C(N)Oc2c1c(C)nn2Cc1ccccc1Cl 1865688035 HBAZHHGDHHNPMF-XMMPIXPASA-N 456.933 5.273 50 10 JKGE Cc1ccc(Cn2nc(-c3ccccc3)c3c2OC(N)=C(C#N)[C@H]3c2c[nH]c3ccccc23)cc1 1865699843 DRQNZJAMYHORLC-VWLOTQADSA-N 457.537 5.606 50 10 JKGE N#CC1=C(N)Oc2c(c(-c3ccccc3)nn2Cc2ccccc2F)[C@H]1c1ccc(F)cc1F 1865701813 GBYFRGJOHXIZGB-QFIPXVFZSA-N 458.443 5.234 50 10 JKGE CCCc1nn(Cc2ccc(Cl)c(Cl)c2)c2c1[C@@H](c1ccc(OC)cc1OC)C(C#N)=C(N)O2 1865708369 VIUHKNWCJWSWIY-QFIPXVFZSA-N 499.398 5.426 50 10 JKGE Cc1ccc(Cn2nc(C(F)(F)F)c3c2OC(N)=C(C#N)[C@H]3c2ccc(C(F)(F)F)cc2)cc1 1865710783 IGWFQMVUQDWRAX-QGZVFWFLSA-N 478.396 5.496 50 10 JKGE CC(C)C[C@@H](C(=O)NC[C@@H](C)Cl)N1C(=O)c2c(Cl)c(Cl)c(Cl)c(Cl)c2C1=O 1865899556 LOUIWDMGYJHRHK-SFYZADRCSA-N 474.599 5.054 50 10 JKGE CCC[C@@H](NC(=O)C[C@H](c1ccc(F)cc1)c1cccc(F)c1)C(=O)Nc1ccc(SC#N)cc1 1866777833 BIVIVNDADVHAFI-JWQCQUIFSA-N 493.579 5.984 50 10 JKGE CCCc1nc(Nc2ccc(SC#N)cc2)cc(N2C[C@H](C)N(c3ccccc3)[C@@H](C)C2)n1 1868388863 NFRKUQMIGJWMKM-PMACEKPBSA-N 458.635 5.849 50 10 JKGE CCCCc1ccc(-c2csc(/C(C#N)=C(\O)c3ccc4c(c3)C(=O)N(C(C)C)C4=O)n2)cc1 1872745023 TWTBRRAYYFROFD-GYHWCHFESA-N 471.582 6.107 50 10 JKGE CCOc1ccc(OCC)c(-c2csc(/C(C#N)=C(\O)[C@H](C)Oc3ccccc3C(C)C)n2)c1 1872754839 LMJJRHKRNZEGQA-ZZNYDNHMSA-N 478.614 6.991 50 10 JKGE COc1ccc(-c2csc(/C(C#N)=C(\O)[C@H]3CC(=O)N([C@@H](C)c4ccccc4)C3)n2)c(OC)c1 1872755304 HQBYIROUSBKQDD-HLCBBXJTSA-N 475.570 5.230 50 10 JKGE Cc1cc(OC/C(O)=C(\C#N)c2nc(-c3cc(C(C)(C)C)ccc3C)cs2)ccc1Cl 1872755791 GBHJEOWUILPMKU-ATJXCDBQSA-N 453.007 7.250 50 10 JKGE CCc1cccc(C)c1N1C[C@@H](/C(O)=C(\C#N)c2nc(-c3cc(Cl)ccc3Cl)cs2)CC1=O 1872758695 LYMIXRYLDRSAMI-WGCOJADFSA-N 498.435 6.834 50 10 JKGE CCCN[C@H](c1cc(Br)c(C)cc1Br)[C@H]1C[C@@H](Br)C1 1887759942 MRMRGBQGBBKZCS-RWSFTLGLSA-N 454.044 5.734 50 10 JKGE O=C(c1csc(Br)c1Br)N(Cc1ccccc1)[C@H](CCl)C1CC1 1915153029 SKFLHCPDFVJKJM-CQSZACIVSA-N 477.649 5.933 50 10 JKGE CCc1ccc([C@@H](Br)c2sc(Br)c(C)c2Br)s1 1922938609 FFWOUHZAIBHDAZ-SNVBAGLBSA-N 459.066 6.690 50 10 JKGE Fc1cccc(Br)c1[C@@H](Cl)c1sc(Br)cc1Br 1922941272 NYEKHWVJKFWTON-SNVBAGLBSA-N 463.391 6.503 50 10 JKGE CSc1ccccc1[C@H](Br)c1c(Br)sc(Br)c1Cl 1923054386 DTXZUCKDEOUUCA-VIFPVBQESA-N 491.495 7.133 50 10 JKGE C[C@@H]1OCCO[C@@H]1[C@@H](Br)c1c(Br)sc(Br)c1Cl 1923067125 YSQBSUBMWPQYER-WSDOSGOUSA-N 469.420 5.166 50 10 JKGE C[C@]1([C@H](Br)c2c(Br)sc(Br)c2Cl)CCCO1 1923067243 AAMMNTKTYGYBAS-GMSGAONNSA-N 453.421 5.932 50 10 JKGE Cl[C@H](c1c(Br)sc(Br)c1Br)[C@@H]1[C@H]2CCOC[C@@H]21 1924572313 YDWXYZHGGUONHZ-CRBZEHORSA-N 465.432 5.598 50 10 JKGE Cc1cc(Cl)cc([C@@H](Cl)c2c(Br)sc(Br)c2Br)c1 1924590198 HZMCDPWVZRULTL-SNVBAGLBSA-N 493.873 7.326 50 10 JKGE COCc1csc([C@H](Br)c2c(Cl)sc(Br)c2Cl)c1 1925620625 JXUVBWRGIVZTTL-QMMMGPOBSA-N 451.032 6.510 50 10 JKGE Cn1nc([C@H](Br)c2cc(Br)c(Br)s2)c(Cl)c1Cl 1945497405 IZHIBXNBIMZOHF-RXMQYKEDSA-N 483.838 5.798 50 10 JKGE CC(C)(CBr)Cc1cc(I)ccc1NC(=O)OC(C)(C)C 1951569669 KHBVTAISHUKAIQ-UHFFFAOYSA-N 468.173 5.602 50 10 JKGE Fc1cc(F)c([C@H](Br)c2csc(Br)c2Br)c(F)c1 2032959068 SWCWKEDVZBBRSL-SECBINFHSA-N 464.926 6.175 50 10 JKGE C[C@]1(C(F)(F)F)C[C@H]1[C@@H](Br)c1cc(Br)ccc1Br 2043563333 XNQWXGPKNGRMFB-LSJOCFKGSA-N 450.918 6.236 50 10 JKGE Fc1cccc(F)c1C[C@@H](Br)c1cccc(Br)c1Br 2092334454 HSYRHRHJVQDXHO-LLVKDONJSA-N 454.934 6.169 50 10 JKGE Cl[C@H](c1cc(Br)cc(Br)c1)c1cc(C2CC2)c(Br)s1 2094673021 GMAQLVDOYINTQD-CYBMUJFWSA-N 485.466 7.241 50 10 JKGE BrC[C@H]1CC2(CCC2)CN1Cc1ccc(Br)cc1Br 2095173290 NRBRQTOFYIOEIZ-CYBMUJFWSA-N 452.028 5.351 50 10 JKGE Fc1cc(Br)c(Cl)cc1[C@@H](Br)c1c(Cl)cccc1Br 2113158237 CORVIOAFLQENTR-CYBMUJFWSA-N 491.807 7.142 50 10 JKGE CN(C(=O)c1cc(Br)sc1Br)C1(CBr)CCCCC1 2113816550 SAWFSSNIBGIJKZ-UHFFFAOYSA-N 474.056 5.443 50 10 JKGE ClCc1ccc(Br)c(Cl)c1N1[C@H]2CCC[C@H]1CN(Cc1ccccc1)C2 2125905104 CRSHUWOOIAJACI-ROUUACIJSA-N 454.239 6.085 50 10 JKGE C[C@]1([C@@H](Br)c2c(Cl)sc(Br)c2Cl)CCCC(F)(F)C1 2132122878 KZSPYTBWRCFVGT-KWQFWETISA-N 457.005 7.469 50 10 JKGE Brc1ccc(Br)c([C@H](Br)[C@@H]2C[C@@H]2C2CCCCC2)c1 2135274655 XHGULHLFXWCESL-XJKCOSOUSA-N 451.040 6.864 50 10 JKGE Cc1cc(Br)c(C)c([C@@H](Br)[C@H]2CCC3(CC3)C2)c1Br 2136371475 OMHAKUUAACPTOH-NHYWBVRUSA-N 451.040 6.845 50 10 JKGE COCC1([C@@H](Br)c2ccc(Br)c(C)c2Br)CCCC1 2138863889 NEJJYAJNFVAEIG-AWEZNQCLSA-N 455.028 6.163 50 10 JKGE CN(Cc1ccc(I)c(Cl)c1)[C@H]1CCCCC[C@@H]1Br 2142942213 BHVMPYGJCPEVSV-WFASDCNBSA-N 456.593 5.473 50 10 JKGE Clc1cc(CN2CC[C@@H](Br)CC23CCC3)ccc1I 2142951377 ZNOUSFQTYVPZOZ-GFCCVEGCSA-N 454.577 5.227 50 10 JKGE Cn1cc(Br)c(CC(CBr)(CBr)c2cccc(Cl)c2)n1 2143632220 ACWMGPJICWZZCJ-UHFFFAOYSA-N 485.445 5.106 50 10 JKGE CC(C)c1nc(Br)c(Br)n1C[C@@H](CBr)c1ccccc1 2143941198 OGAKJLCGAWFGHJ-GFCCVEGCSA-N 465.027 5.710 50 10 JKGE O=C(N[C@H]1CCCC[C@@H]1CCBr)c1cc(Br)ccc1Br 2146721294 YNWBBQCJIKTTMW-YGRLFVJLSA-N 468.027 5.285 50 10 JKGE C[C@H](Cl)c1nc2cc(Br)c(Cl)cc2n1-c1cscc1Br 2160060501 JHJDRZDEWZGHKW-LURJTMIESA-N 455.002 6.565 50 10 JKGE Cc1cc(Br)c(CBr)c(Oc2cc(Br)ccc2C#N)c1 2173449194 CYPYNTJQGSVMJG-UHFFFAOYSA-N 459.963 6.079 50 10 JKGE FC1(F)CCC2(CC1)[C@@H](Br)C[C@@H]2Oc1ccc(I)cc1 2177596161 PBUYSYYYRSDSPE-STQMWFEESA-N 457.096 5.402 50 10 JKGE BrCc1cc(Br)cc(Br)c1OCC1CC2(C1)CC21CC1 2192317796 TZROYZUHCSCDNC-UHFFFAOYSA-N 465.023 6.066 50 10 JKGE Cc1cc(Br)c(C)c([C@H](Br)[C@]2(C)C[C@H]2C(F)(F)F)c1Br 2201070105 DZGZFXBZERUJDR-JIMOISOXSA-N 478.972 6.853 50 10 JKGE CC(C)Cc1ccccc1[C@@H](Br)c1ccc(Br)cc1Br 2203687646 RXOCZTLGLYHMQV-QGZVFWFLSA-N 461.035 6.894 50 10 JKGE Clc1cscc1[C@H](Br)c1c(Br)cc(Cl)c(Cl)c1Cl 2217612857 ITHAERDAUNGQDA-VIFPVBQESA-N 469.840 7.609 50 10 JKGE FC(F)(F)[C@@H]1CCO[C@@H]1[C@H](Br)c1sc(Br)cc1Br 2223755676 DZPQIFWITOELAF-WDZBIPAOSA-N 472.946 5.677 50 10 JKGE FC(F)(F)[C@@H]1CCO[C@H]1[C@@H](Br)c1cc(Br)sc1Br 2223760608 QTXOSGXMVFRSKW-MHSYXAOVSA-N 472.946 5.677 50 10 JKGE COCC1([C@H](Br)c2cc(Br)c(Br)cc2F)CCCC1 2225618328 WOBDRRVOCILZAT-CYBMUJFWSA-N 458.991 5.994 50 10 JKGE CCN(C[C@](C)(CI)O[C@@H]1CCCC[C@H]1C(F)(F)F)C(=O)OC(C)(C)C 2231399031 IGROEEBTKQZGHK-CPUCHLNUSA-N 493.348 5.575 50 10 JKGE CCOCc1cc(Br)c([C@@H](Br)c2c(F)cccc2Br)s1 2233019112 GOYRLHWDXYROFM-ZDUSSCGKSA-N 487.026 6.433 50 10 JKGE C[C@H](Cl)c1nc2cc(Br)c(Br)cc2n1C[C@H]1C[C@@H](Br)C1 2234066165 LSWXJCKLSMISHL-XHNCKOQMSA-N 485.445 6.035 50 10 JKGE CC[C@H](C[C@@H](Br)c1c(Br)cc(C)c(Br)c1C)C(C)(C)C 2235609933 DCOUQVLXLGZKMH-TZMCWYRMSA-N 469.099 7.727 50 10 JKGE Cc1cc(Br)c([C@@H](Br)[C@H]2C[C@H](C)O[C@H](C)C2)c(C)c1Br 2235616112 YMXXRUOPRKVJGW-FXZYXXQUSA-N 469.055 6.468 50 10 JKGE Cc1c([C@H](Br)c2c(F)cc(F)c(Br)c2F)c(Br)nn1C 2236115690 WDGGMRUBFLJFRL-JTQLQIEISA-N 476.916 5.155 50 10 JKGE CCc1cc([C@@H](Br)c2cc(Br)c(C)s2)sc1Br 2248005074 LJEFIFUJEYYKEP-LLVKDONJSA-N 459.066 6.690 50 10 JKGE Fc1cc(Cl)c([C@H](Br)c2c(Cl)sc(Cl)c2Cl)cc1Br 2270435712 ZLOMDPDYRXKMJV-QMMMGPOBSA-N 487.830 7.748 50 10 JKGE CCC[C@@H](C(C)C)[C@@H](Br)c1c(F)cc(Br)c(F)c1Br 2272855234 KQQJHEVDIKUKNS-QPUJVOFHSA-N 462.998 6.998 50 10 JKGE FC(F)[C@@H]1CCC[C@H]1COc1c(Br)cc(Br)cc1CBr 2285578022 BAYRUTVIAQIJFV-GZMMTYOYSA-N 476.981 6.167 50 10 JKGE Cc1cc(Cl)c(Cl)cc1[C@@H](Br)c1cc(Br)c(Cl)cc1C 2286512187 BRWQXUVBTXLINI-HNNXBMFYSA-N 457.420 7.510 50 10 JKGE CC1CC2(C1)CC(COc1c(Br)cc(Br)cc1CBr)C2 2287814149 TZUJMIGVPYDPCY-UHFFFAOYSA-N 467.039 6.312 50 10 JKGE COc1cc(C=C(C#N)c2ccc(Cl)cc2)c(Br)cc1OCc1ccc(F)cc1 2293438532 BXGGJTKNWDBXGP-UHFFFAOYSA-N 472.741 6.893 50 10 JKGE Cc1cc(C=C(C#N)C(=O)NCc2cccs2)c(C)n1-c1ccc(NC2CCCC2)c([N+](=O)[O-])c1 2293744217 YKPRUCHGYRHJLL-UHFFFAOYSA-N 489.601 5.642 50 10 JKGE Cc1ccccc1CC[C@@H](Br)Cc1cc(Br)cc(Br)c1 2295345373 LHYRICLKBYTZLQ-OAHLLOKOSA-N 461.035 6.459 50 10 JKGE N#CC(=CC=Cc1ccccc1)c1nc(-c2cc3cc(Br)ccc3oc2=O)cs1 2297317447 MDHBKRRAUPLKQD-UHFFFAOYSA-N 461.340 6.299 50 10 JKGE COc1c([N+](=O)[O-])cc(C(C#N)=Cc2ccc(OCc3ccccc3)cc2)c([N+](=O)[O-])c1OC 2297535482 QQDZHZPBDDBYQQ-UHFFFAOYSA-N 461.430 5.163 50 10 JKGE C[C@@H](CC(C)(C)C)[C@H](Br)c1cc(Br)ccc1OCc1ccccc1 2299526688 AFEQUKAZOHASKV-YWZLYKJASA-N 454.246 7.536 50 10 JKGE COc1cc(C=C(C#N)c2ccccc2)cc(Br)c1OCc1ccc(Cl)cc1Cl 2313518456 DPIAFCFMVCQMBC-UHFFFAOYSA-N 489.196 7.408 50 10 JKGE N#CC(=Cc1ccc(OCc2ccccc2Cl)cc1)C(=O)Nc1sc2c(c1C#N)CCCC2 2313631005 ZKRDVLBQAARQPV-UHFFFAOYSA-N 473.985 6.277 50 10 JKGE Cc1c(Cl)cccc1NC(=O)C(C#N)=Cc1cn(Cc2cccc(Cl)c2)c2ccccc12 2313671299 ZZNWORAEKVYVDN-UHFFFAOYSA-N 460.364 6.851 50 10 JKGE Brc1cc(OCc2ccccc2)ccc1[C@H](Br)c1cc2sccc2s1 2314439529 IGNYHFWRSBDCAD-FQEVSTJZSA-N 494.273 7.789 50 10 JKGE Brc1cc(OCc2ccccc2)ccc1[C@H](Br)c1cc2cscc2s1 2314440606 QUAUMZXDBWJCFC-FQEVSTJZSA-N 494.273 7.789 50 10 JKGE CC1CC2(C1)CC([C@@H](Br)c1ccc(OCc3ccccc3)cc1Br)C2 2314445296 QQLDXTLMCVKUJQ-UHBXYOEBSA-N 464.241 7.290 50 10 JKGE CSc1ccc([C@H](Br)c2cc(Br)ccc2OCc2ccccc2)cc1 2314450339 YFQCMKFXINEFGQ-NRFANRHFSA-N 478.249 7.234 50 10 JKGE Fc1cc(Cl)cc([C@@H](Br)c2ccc(OCc3ccccc3)cc2Br)c1 2314463578 ZOXHPQWYNKYULE-HXUWFJFHSA-N 484.590 7.305 50 10 JKGE Cc1ccc(Br)c([C@H](Cl)c2cc(Br)ccc2OCc2ccccc2)c1 2314502263 HAWVCIIFVGFDHL-NRFANRHFSA-N 480.627 7.427 50 10 JKGE CCOC(=O)c1c(NC(=O)C(C#N)=Cc2ccc(OC)c(OCC)c2)sc2c1CC[C@H](C)C2 2314571916 OORNCANPEOSZEY-HNNXBMFYSA-N 468.575 5.003 50 10 JKGE N#CC(=Cc1ccc(-c2cccc(C(F)(F)F)c2)o1)C(=O)Nc1cc(C(F)(F)F)ccc1Cl 2314571945 PFLWYOSOZOXTGW-UHFFFAOYSA-N 484.783 7.183 50 10 JKGE COc1ccc(N2C(=O)[C@@H](Cc3ccc(C(C)C)cc3)SC2=C(C#N)C(=O)Nc2ccccc2)cc1 2314591973 ITRIDPVZVPAKAN-AREMUKBSSA-N 497.620 5.884 50 10 JKGE CCc1ccc(N2C(=O)[C@H](Cc3ccc(F)cc3)SC2=C(C#N)C(=O)NCc2ccccc2)cc1 2314593421 MTEMEYCWMXTZAI-VWLOTQADSA-N 485.584 5.131 50 10 JKGE Clc1cc(Br)c([C@H](Cl)c2cnsc2Br)c(Cl)c1Cl 2315639799 CJHLTGWDTSIIAH-SSDOTTSWSA-N 470.828 6.957 50 10 JKGE COc1ccc(C)cc1[C@H](Br)c1sc(Cl)cc1I 2316599436 QSDYPYDYHDZLHH-LBPRGKRZSA-N 457.558 5.807 50 10 JKGE Fc1cccc(Cl)c1C[C@@H](Br)c1sc(Cl)cc1I 2316775334 QYYZJCNXMOJACD-SSDOTTSWSA-N 479.967 6.477 50 10 JKGE C[C@@H]1C[C@@](CBr)(Cc2ccc(I)c(Br)c2)[C@@H](C)O1 2325218789 RYYQQICBMNAPJH-RULNRJAQSA-N 488.001 5.175 50 10 JKGE N#CC(=C(O)CCc1nc2ccccc2[nH]c1=O)c1nc(-c2ccc(Br)cc2)cs1 2331259988 CDQGMYFIEIHHNJ-UHFFFAOYSA-N 479.359 5.235 50 10 JKGE CCc1cccc(CC)c1N1C[C@@H](C(O)=C(C#N)c2nc(-c3ccc(C(C)(C)C)cc3)cs2)CC1=O 2331331939 KSNKSLVIFRGYKY-QFIPXVFZSA-N 499.680 7.078 50 10 JKGE COc1ccc(C(C)(C)C)cc1-c1csc(C(C#N)=C(O)[C@@H](C)Oc2ccc(C(C)C)cc2)n1 2331350826 XKLTYXVRDOMAMS-GOSISDBHSA-N 476.642 7.500 50 10 JKGE N#CC(=C(O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1)c1nc(-c2cc(Cl)ccc2Cl)cs1 2331405529 SXABOXRACKUQAY-UHFFFAOYSA-N 463.258 5.883 50 10 JKGE CCOc1c(Br)cc(C=C(C#N)c2nc(-c3ccc(OC)c(F)c3)cs2)cc1OC 2331455715 KFTXECJYUAUHJM-UHFFFAOYSA-N 489.366 6.192 50 10 JKGE CCOc1ccc(-c2csc(C(C#N)=Cc3cc(Br)ccc3F)n2)c(OCC)c1 2331474035 YNQPIEYUXRIRLK-UHFFFAOYSA-N 473.367 6.573 50 10 JKGE Cc1c(Br)ccc([C@H](Br)[C@H]2CC[C@@H]3[C@H]2C3(F)F)c1Br 2333145726 BMAWVRWMJQWGQR-ZVJCDOFWSA-N 458.966 6.247 50 10 JKGE CCCc1ccccc1[C@H](Br)c1cc(Br)ccc1OCc1ccccc1 2336053791 LZBPBZLBLDPMFB-QHCPKHFHSA-N 474.236 7.465 50 10 JKGE Clc1cccc(Cl)c1C[C@@H](Cl)c1ccc(OCc2ccccc2)cc1Br 2336072970 QWIJUDDZNMLWJQ-OAQYLSRUSA-N 470.621 7.858 50 10 JKGE Fc1c(Br)cc(Cl)c([C@@H](Br)[C@@H]2C[C@@H]3CC[C@H]2O3)c1Br 2337085143 UTKRFRJDYFTBRY-QUYDWZKXSA-N 477.393 6.008 50 10 JKGE Cc1cc([C@H](Cl)c2c(Cl)cc(Br)c(F)c2Br)oc1Br 2337085660 BMBIFFSXKNBURA-JTQLQIEISA-N 495.795 6.996 50 10 JKGE Clc1ccc(C[C@]2(CBr)CCCCC23CC3)cc1I 2337226573 AOGJYKHKLQEVOA-INIZCTEOSA-N 453.589 6.223 50 10 JKGE CCCc1sc(Br)cc1[C@@H](Br)c1cccc(Br)c1F 2338020383 KEKRQASZHGPUHN-ZDUSSCGKSA-N 471.027 6.849 50 10 JKGE C[C@@]12CC[C@@](CBr)(C1)N(Cc1ccc(Cl)cc1I)C2 2341010684 IATAULRQFFRCPW-CABCVRRESA-N 454.577 5.084 50 10 JKGE Fc1ccc(C(F)(F)F)cc1[C@@H](Cl)c1sc(Cl)cc1I 2363891437 IIUKQQSYGBUZIL-SNVBAGLBSA-N 455.041 6.492 50 10 JKGE COc1ccc([C@H](Br)c2ccc(Cl)c(Cl)c2C)cc1I 2364534415 NVNNQHZSFRUSOY-AWEZNQCLSA-N 485.974 6.399 50 10 JKGE Clc1cccc(CO[C@@H](CI)c2cccc(Br)c2)c1Cl 2364801300 CNCQOWORQWQMIY-AWEZNQCLSA-N 485.974 6.449 50 10 JKGE COc1c(Br)cc(C)c([C@H](Br)[C@@H]2C[C@@H]3C[C@H]3CO2)c1Br 2365190961 JYJVIRXAPGAMEW-LKAMGYQZSA-N 469.011 5.390 50 10 JKGE COc1c(Br)cc(C)c([C@H](Br)CC[C@@H]2CCOC2)c1Br 2365237163 RRBKCJZWBVRULI-GHMZBOCLSA-N 471.027 5.781 50 10 JKGE Cc1cc(Br)c([C@H](Cl)c2c(Cl)cc(F)cc2Cl)cc1Br 2366409411 VABACEKYMCAGOO-AWEZNQCLSA-N 461.383 7.294 50 10 JKGE CCN(C[C@](C)(CI)O[C@@H]1CCCCC12CCOCC2)C(=O)OC(C)(C)C 2368372720 UQDRNPRCUBFYGF-XLIONFOSSA-N 495.442 5.193 50 10 JKGE CCOC(=O)c1ccc(-c2ccc(/C=C(/C#N)C(=O)Nc3ccc([N+](=O)[O-])cc3Cl)o2)cc1 6599944 UXUXZDNKKYDRMM-WJDWOHSUSA-N 465.849 5.231 50 10 JKGE CCN(CC)c1ccc(/C=N/NC(=O)C=C(Sc2ccccc2)Sc2ccccc2)cc1 9695041 DQGOTDROYKPYAH-NHFJDJAPSA-N 461.656 6.409 50 10 JKGE Cn1ccnc1Sc1ccc(/C=C(/C#N)C(=O)Nc2ccc(Oc3ccccc3)cc2)cc1[N+](=O)[O-] 33634672 LEJSFNYDWHANEA-CYVLTUHYSA-N 497.536 5.817 50 10 JKGE C[C@@H]1Oc2ccccc2C=C1/C=C(/C#N)c1nc(-c2cccs2)c(NC(=O)c2ccco2)s1 34982915 MSCWJGSYGNBTDL-LUJRCDHRSA-N 471.563 6.488 50 10 JKGE Cc1ccc(C(C)C)c(Oc2nc3ccccn3c(=O)c2/C=C(\C#N)c2nc3ccccc3s2)c1 35549823 FTYLTMHQJAQLMK-XDJHFCHBSA-N 478.577 6.593 50 10 JKGE CC(C)(C)c1ccc(N2C(=O)CS[C@@H]2c2cccc(NC(=O)[C@@H](Cl)c3ccccc3)c2)cc1 35928197 HSXGKDKBXAODGD-AZGAKELHSA-N 479.045 6.681 50 10 JKGE N#CC1=C(N)Oc2cc(OC(=O)COc3cccc(Cl)c3)ccc2[C@H]1c1ccc(Cl)cc1 38651433 UUOCUMVXTGCVRI-HSZRJFAPSA-N 467.308 5.196 50 10 JKGE COc1ccc(CC(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@H]3c2cccc3ccccc23)cc1 38657958 KSLUUCDSMJWXLP-NDEPHWFRSA-N 462.505 5.215 50 10 JKGE CCCCOc1ccccc1[C@@H]1C(C#N)=C(N)Oc2cc(OC(=O)c3ccc(OC)cc3)ccc21 38682657 YYSYPWRXZHWKKI-SANMLTNESA-N 470.525 5.311 50 10 JKGE CCc1ccc2oc(C(=O)Oc3ccc4c(c3)OC(N)=C(C#N)[C@@H]4c3cccc(Cl)c3)c(C)c2c1 38687708 WDOHIBCHBRWNCG-RUZDIDTESA-N 484.939 6.394 50 10 JKGE CS(=O)(=O)c1cccc([C@H](Br)c2cc(Br)sc2Br)c1 40288804 SJBXHMWDQXMZDL-NSHDSACASA-N 489.048 5.161 50 10 JKGE Cc1ccc(C)c(NC(=O)/C(C#N)=C/c2cc(-c3ccccc3)n(-c3ccccc3)c2-c2ccccc2)c1 58833954 ZUUUFMCJKNUCFO-XHLNEMQHSA-N 493.610 7.974 50 10 JKGE N#C/C(=C/c1ccccc1OCc1ccc(Cl)cc1Cl)C(=O)Nc1ccc(Cl)cc1 59116990 HXJGRMZDAJOXCT-BOPFTXTBSA-N 457.744 6.771 50 10 JKGE N#C/C(=C\c1cn(Cc2ccccc2Cl)c2ccccc12)C(=O)Nc1cccc(C(F)(F)F)c1 59266452 CZNSIRGGEWZPBN-LDADJPATSA-N 479.889 6.907 50 10 JKGE CC(C)(C)[C@@H]1CCc2nc(NC(=O)/C(C#N)=C\c3ccc(-c4ccc(Cl)cc4)o3)sc2C1 96022367 LGEVCIOOVXTHIX-TXQCQQFXSA-N 466.006 6.753 50 10 JKGE O=C(NC1CCCC1)[C@H](c1ccc(Cl)cc1)N(CCc1ccc(Cl)cc1)C(=O)CCl 97915038 KRMWBCIRMGNKFT-QFIPXVFZSA-N 467.824 5.403 50 10 JKGE CCc1ccc(N2C(=O)[C@H](Cc3ccccc3F)S/C2=C(/C#N)C(=O)NCc2ccccc2)cc1 101240820 HSUDRAOKAHEGQI-IDJUBOEBSA-N 485.584 5.131 50 10 JKGE Cc1ccc(N2C(=O)[C@H](Cc3ccccc3Cl)S/C2=C(/C#N)C(=O)NCc2ccco2)cc1C 101242642 RHQBRWXZZJENAW-HVBJHMBASA-N 492.000 5.293 50 10 JKGE CC(C)c1ccc(/C=C(/C#N)c2nc(-c3cccs3)c(NC(=O)c3ccc(Cl)cc3)s2)cc1 102620436 XFXOPGNCWXINID-ZHZULCJRSA-N 490.053 7.965 50 10 JKGE CCOC(=O)c1c(N/C=C(\C#N)c2nc(-c3ccccc3)cs2)sc(C(=O)OCCOC)c1C 102924646 NAKPPAUFNMNLCF-GHRIWEEISA-N 497.598 5.137 50 10 JKGE CCCCCCCCCCOc1ccc(C(=O)N/N=C2/C(=O)Nc3ccc(OC)cc32)cc1 103723900 URPFBKJWVPYJSO-UHFFFAOYSA-N 451.567 5.301 50 10 JKGE CC1CCC(CBr)(NC(=O)c2cc(Br)c(Br)s2)CC1 125214620 XKGWDHOFQVMGQO-UHFFFAOYSA-N 474.056 5.347 50 10 JKGE Cc1cc(Br)c([C@@H](Br)c2sccc2Cl)cc1Br 128757736 VNUVAHWLDXXBKU-LLVKDONJSA-N 459.428 6.719 50 10 JKGE CC1(C)CC[C@]2(N)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 144822251 UPZBCAPHQZEIAJ-WTRJLLKISA-N 462.678 5.917 50 10 JKGE Clc1ccccc1CO[C@H](CI)c1ccc(Br)cc1 162010569 LHVBHHGICQUAAS-OAHLLOKOSA-N 451.529 5.795 50 10 JKGE CCCOc1cccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)/C=C\c4ccccc4)ccc32)c1 205658609 LNXVZQIPCSOAQU-FRCQCVPTSA-N 452.510 5.312 50 10 JKGE CCCCCCN1C(=O)C(C#N)=C(C)/C(=C/c2ccc(OCc3ccc(C)cc3)c(OCC)c2)C1=O 214246671 SROMVLZRJYNFOP-UQQQWYQISA-N 486.612 6.145 50 10 JKGE Cc1cc(C)cc(COc2c(Br)cc(CBr)cc2Br)c1 235849514 GYGZTJAHBIYFOP-UHFFFAOYSA-N 463.007 6.302 50 10 JKGE O=C(NN=Cc1ccc(OC(=O)c2sc3ccccc3c2Cl)cc1)c1ccc(Cl)cc1 252626782 RFOKXGBXRNQXBJ-UHFFFAOYSA-N 469.349 6.191 50 10 JKGE CC(=NNC(=O)[C@H]1C[C@@H]1c1ccccc1)c1ccc(NC(=O)c2ccc(Cl)cc2Cl)cc1 254292932 VCWXLGAMONAJQH-YADHBBJMSA-N 466.368 5.890 50 10 JKGE CC(C)c1ccc(N(CC(=O)NN=Cc2c3ccccc3cc3ccccc23)S(C)(=O)=O)cc1 254395157 ASKVQMZJMSZTME-UHFFFAOYSA-N 473.598 5.033 50 10 JKGE CC(=NNC(=O)[C@@H]1C[C@H]1c1ccc(C(C)(C)C)cc1)c1ccc(NC(=O)c2ccc(Cl)cc2)cc1 254863226 HTARNNOWABQFGZ-IZZNHLLZSA-N 488.031 6.534 50 10 JKGE ClCc1nc2cccc(Cl)c2n1-c1cc(I)ccc1Br 312585579 NDSFSLHVUPUFIE-UHFFFAOYSA-N 481.946 5.785 50 10 JKGE Brc1cc([C@H](Br)c2csc3c2CCCC3)sc1Br 399819124 CABLFPCKRXJKIT-GFCCVEGCSA-N 471.077 6.698 50 10 JKGE 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 503996387 QGDQJFKTMDHPQG-XLURIMEWSA-N 491.200 9.245 50 10 JKGE CC(C)(C)OC(=O)N1CCc2ccccc2[C@H]1c1cccc(CCO[Si](C)(C)C(C)(C)C)c1 616586696 UFNFROUNFJQFRI-RUZDIDTESA-N 467.726 7.134 50 10 JKGE CC(F)(F)C(C)(C)COc1c(Br)cc(Br)cc1CBr 697105039 HUFOJUBOVWJCSX-UHFFFAOYSA-N 464.970 6.167 50 10 JKGE Brc1ccsc1[C@@H](Br)c1scc(Br)c1Br 705411628 ZDBSXAJMGGETGO-SSDOTTSWSA-N 495.881 6.581 50 10 JKGE Cc1sc([C@@H](Cl)c2cc(Br)sc2Br)c(C)c1Br 724907626 AMOMFEUPJPYWFO-VIFPVBQESA-N 479.484 7.042 50 10 JKGE Cc1ccccc1-n1c(C)cc(C=NNC(=O)c2ccc(-n3c(C)ccc3-c3ccccc3)cc2)c1C 1083900351 YZSJCRQZTLZLFA-UHFFFAOYSA-N 486.619 6.933 50 10 JKGE Cc1cc(C=NNC(=O)c2cc3ccccc3o2)c(C)n1-c1ccc(OCc2ccccc2Cl)cc1 1083910992 ZSLCPQCKCRYIME-UHFFFAOYSA-N 497.982 6.837 50 10 JKGE COc1ccc(C=NNC(=O)c2cc3cc(Br)ccc3o2)cc1Cc1ccccc1 1084010295 BTVATHDVNPZQHJ-UHFFFAOYSA-N 463.331 5.559 50 10 JKGE CC(=NNC(=O)c1ccc(NC(=O)c2ccccc2C)cc1)C(c1ccccc1)c1ccccc1 1084193427 WDYBBIZOCFEJIM-UHFFFAOYSA-N 461.565 6.185 50 10 JKGE CCOc1ccc2nc(Sc3ccc(C=NNC(=O)Cc4ccccc4)cc3[N+](=O)[O-])sc2c1 1084392969 WLTJBIUQHWUBJX-UHFFFAOYSA-N 492.582 5.447 50 10 JKGE Cc1c(C(=O)Nc2ccc(F)cc2)oc2c1C(=NNC(=O)C(c1ccccc1)c1ccccc1)CCC2 1772748664 MSFGUIMANKXEEG-UHFFFAOYSA-N 495.554 5.968 50 10 JKGE Cc1c(C(=O)NN(c2ccccc2)c2ccccc2)oc2c1C(=NNC(=O)Cc1ccccc1)CCC2 1772748879 OSQQBZCIYSRVNO-UHFFFAOYSA-N 492.579 5.470 50 10 JKGE Cc1ccsc1[C@@H]1C(C#N)=C(N)Oc2c1c(-c1ccccc1)nn2Cc1cccc(Cl)c1 1865698945 GTNREHSUMQHQSM-HXUWFJFHSA-N 458.974 5.840 50 10 JKGE CCCCc1ccc(-c2csc(/C(C#N)=C(\O)CN3C(=O)c4ccc([N+](=O)[O-])cc4C3=O)n2)cc1 1872744921 OSHWAZZFGNGIDJ-XDOYNYLZSA-N 488.525 5.150 50 10 JKGE CCOc1cc(/C(O)=C(\C#N)c2nc(-c3c[nH]c4ccccc34)cs2)cc(OCC)c1OCC 1872753365 TZWWTBAKLJJEPZ-MOHJPFBDSA-N 475.570 6.437 50 10 JKGE CCOc1ccc(-c2csc(/C(C#N)=C(\O)COc3ccc(C)cc3C)n2)c(OCC)c1 1872755257 FJLVSHCQKNMSSU-XDOYNYLZSA-N 450.560 6.096 50 10 JKGE Cc1ccc(C(C)(C)C)cc1-c1csc(/C(C#N)=C(\O)CCCOc2c(C)cccc2C)n1 1872756021 QIKKEYOORRKROX-BZZOAKBMSA-N 460.643 7.685 50 10 JKGE COc1ccc(-c2csc(/C(C#N)=C/c3ccc(OCc4ccccc4Cl)cc3)n2)cc1C 1872780776 KVRMFASEIJBPFN-HYARGMPZSA-N 472.997 7.424 50 10 JKGE N#C/C(=C\c1ccc(OCc2ccc(Cl)cc2)cc1)c1nc(-c2ccc3c(c2)OCO3)cs1 1872792390 WBIBOKCAQSNXRG-RGVLZGJSSA-N 472.953 6.835 50 10 JKGE Cc1cc(C)c(C)c(-c2csc(/C(C#N)=C/c3ccccc3OCc3ccc(Cl)cc3)n2)c1C 1872792829 SRAMZBOHYJLNCH-ZVHZXABRSA-N 485.052 8.340 50 10 JKGE CCCCc1ccc(N2C[C@H](/C(O)=C(\C#N)c3nc(-c4ccc(F)cc4F)cs3)CC2=O)cc1 1872817949 FEGLYENFHDLPCS-PVCXERSVSA-N 479.552 6.277 50 10 JKGE COc1ccc(OC/C(O)=C(\C#N)c2nc(-c3ccc4ccccc4c3)cs2)c(C(C)(C)C)c1 1873941070 VECVWHSXMLJWDR-LVWGJNHUSA-N 470.594 7.141 50 10 JKGE Cc1c(Br)sc([C@@H](Cl)c2cccc(F)c2Br)c1Br 1922947132 YUIGKDRYWIJBPB-JTQLQIEISA-N 477.418 6.811 50 10 JKGE C[C@@H](c1ccncc1Br)[C@@H](Cl)c1c(Br)cccc1Br 1924071438 XOUXTIBQWZAYGV-RMLUDKJBSA-N 468.414 6.453 50 10 JKGE Cl[C@@H](c1ccc2c(c1)CCO2)c1c(Br)sc(Br)c1Br 1924596339 MZRFYWKPMJVIGR-NSHDSACASA-N 487.438 6.299 50 10 JKGE COc1cccc(F)c1[C@H](Cl)c1c(Br)sc(Br)c1Br 1924596413 ODRBXBNDHDOKHS-JTQLQIEISA-N 493.417 6.512 50 10 JKGE Cn1c([C@@H](Cl)c2c(Br)sc(Br)c2Br)cnc1Cl 1924607978 BRWJOAWCTBNVPJ-ZCFIWIBFSA-N 483.838 5.751 50 10 JKGE FC(F)CC[C@@H](Br)c1c(Br)sc(Br)c1Br 1924616214 MLQXPXBQJCSHFO-GSVOUGTGSA-N 491.815 6.517 50 10 JKGE Clc1sc(Br)c(Cl)c1[C@@H](Br)c1ccc2c(c1)CCCC2 1925553514 JFEZRQKLAPRGDC-LBPRGKRZSA-N 455.042 7.181 50 10 JKGE Cc1c(Br)cc(CBr)cc1S(=O)(=O)N(Cc1ccccc1)C1CC1 2009645714 KMYNLJYCXDFWES-UHFFFAOYSA-N 473.230 5.006 50 10 JKGE Fc1cnccc1C[C@H](Br)c1cc(I)ccc1Br 2033936270 QQYKSOYXXLKLFF-LBPRGKRZSA-N 484.932 5.267 50 10 JKGE Clc1c(Br)sc(Br)c1[C@@H](Br)[C@@H]1CC12CCCCC2 2039004596 BBRIVOYYLMBWGS-CBAPKCEASA-N 477.487 7.333 50 10 JKGE Clc1cccc(Cl)c1C[C@@H](Br)c1cc(Br)c(Br)s1 2042856115 DAOJJYFPBBHZTA-SSDOTTSWSA-N 493.873 7.259 50 10 JKGE Brc1cc([C@H](Br)[C@@H]2C[C@H]2C2CCCCC2)sc1Br 2079383235 BWCLRBJEDFAZSV-OPQQBVKSSA-N 457.069 6.926 50 10 JKGE Cc1c(Br)ccc([C@H](Br)c2cnc(Cl)n2C)c1Br 2083319158 WCXYHPFVIMIWLU-NSHDSACASA-N 457.391 5.391 50 10 JKGE Cc1cc(Br)ccc1[C@@H](Cl)c1ccc(Br)cc1Br 2083322580 UIYCNWQOUCTIEE-CQSZACIVSA-N 453.399 6.611 50 10 JKGE ClCc1cc(Br)cc(Br)c1OCc1csc(Br)c1 2084090821 ZONQJIFXXDDJET-UHFFFAOYSA-N 475.427 6.353 50 10 JKGE Cc1cc2nc([C@H](C)Cl)n(CCCN(Cc3ccccc3)Cc3ccccc3)c2cc1Cl 2085626480 YRWTZBMUULTBBK-NRFANRHFSA-N 466.456 7.390 50 10 JKGE CCc1cc(Br)c([C@H](Br)c2cc(Br)ccc2OC)s1 2089710388 XSFNSXSWKAOBAP-CYBMUJFWSA-N 469.036 6.328 50 10 JKGE Cc1ccc(Br)cc1Oc1c(CBr)ccc(Br)c1Cl 2098115879 DYRAJIVOOCUHHN-UHFFFAOYSA-N 469.398 6.861 50 10 JKGE COCCOc1ccc([C@@H](Br)C2(Br)CCC2)cc1Br 2111900533 MEWLGZKOAQJGPH-CYBMUJFWSA-N 457.000 5.228 50 10 JKGE Cn1cnc2sc([C@H](Cl)c3c(Br)sc(Br)c3Cl)cc21 2118608742 IQZVQJSYTPHBBZ-ZETCQYMHSA-N 461.031 6.203 50 10 JKGE CCn1cc(Br)c(C[C@@H](CBr)c2ccc(Br)cc2)n1 2124749462 YSMLFWHOZZWVMJ-NSHDSACASA-N 451.000 5.149 50 10 JKGE CC(C)(C)[C@H]1[C@@H](Br)CCN1Cc1cc(Cl)ccc1I 2128668340 IFEWXLPQTHWROF-GXTWGEPZSA-N 456.593 5.329 50 10 JKGE Brc1ccc(Br)c([C@@H](Br)c2scc3c2CCCC3)c1 2130558906 NXYACAOWGGMIDV-CQSZACIVSA-N 465.048 6.636 50 10 JKGE BrC[C@H]1CCN(Cc2cccc(Br)c2Br)C12CCC2 2133811732 RDXGOFABBLZRLF-GFCCVEGCSA-N 452.028 5.351 50 10 JKGE CC(C)(C)[C@@H]1C[C@@H]1COc1c(Br)cc(Br)cc1CBr 2135639650 JSAOXVYEFBJTMZ-ZYHUDNBSSA-N 455.028 6.168 50 10 JKGE Brc1ccc([C@H](Br)[C@@H]2C[C@H]2C2CCCCC2)c(Br)c1 2138850855 IMPLIRMQGDDPJL-LZWOXQAQSA-N 451.040 6.864 50 10 JKGE Cc1c(Br)ccc([C@@H](Br)CC2CCCCCC2)c1Br 2138876294 OCVUUKCGHUNHJQ-HNNXBMFYSA-N 453.056 7.317 50 10 JKGE Cc1cc([C@@H](Cl)c2cc(Br)c(Cl)cc2F)ccc1I 2142121325 UWSSNOGDPSTKSD-CQSZACIVSA-N 473.938 6.483 50 10 JKGE FC1(F)[C@H]([C@H](Br)c2cc(I)cc3c2OCC3)C12CCC2 2149875337 VCRKHNDJGOPOHV-DGCLKSJQSA-N 455.080 5.098 50 10 JKGE Cn1nc([C@@H](Br)c2ccc(Br)c3ccccc23)cc1Br 2150478295 IZEZCFXTCPXWGP-HNNXBMFYSA-N 458.979 5.583 50 10 JKGE CC(C)(CC(CBr)(CBr)c1ccccc1Br)C(F)(F)F 2150594915 XMPTZFMFYACMCE-UHFFFAOYSA-N 480.988 6.455 50 10 JKGE Cc1cc(Br)c([C@H](Br)c2cc(C3CC3)c(Br)s2)cc1Cl 2151034320 XTEJMDAPCUMZRS-AWEZNQCLSA-N 499.493 7.597 50 10 JKGE Fc1cc(Br)c(Cl)cc1[C@H](Br)c1ccsc1C(F)(F)F 2157644240 IAPFYWZORLVPSX-SNVBAGLBSA-N 452.492 6.806 50 10 JKGE FC(F)(F)c1cc(Br)cc([C@H](Cl)c2sc(Cl)cc2Br)c1 2172406902 BKIYTEKTKYSDKZ-JTQLQIEISA-N 468.947 7.274 50 10 JKGE CC[C@@H](N)Cc1cc(Br)c(OC[C@H]2C[C@@H](Br)C2)c(Br)c1 2196937963 MWHOTSWGTBZLNX-GRYCIOLGSA-N 470.043 5.044 50 10 JKGE Cc1c(Br)ccc([C@H](Br)[C@]2(C)CCCC(F)(F)C2)c1Br 2203688402 TUHBRDDJTAZPPV-UONOGXRCSA-N 475.009 7.172 50 10 JKGE CCOCc1cc(Br)c([C@H](Cl)c2sccc2I)s1 2217987287 HPVKJBQXDAUZNM-JTQLQIEISA-N 477.614 6.041 50 10 JKGE Fc1cc(F)c([C@@H](Br)c2csc(Br)c2)c(F)c1Br 2220501989 YIHBKMGHDBTTPC-VIFPVBQESA-N 464.926 6.175 50 10 JKGE Cc1ccc([C@@H](Br)c2sc(Br)cc2Br)c(F)c1F 2223459690 JBLBZUSRAYOYEL-SECBINFHSA-N 460.963 6.344 50 10 JKGE Cc1cc(Br)c([C@H](Cl)c2c(Br)cnn2C)c(C)c1Br 2227355529 NBSLWVICLLUZEN-LBPRGKRZSA-N 471.418 5.653 50 10 JKGE COCc1cccc2c1nc(CCCl)n2CCCN(Cc1ccccc1)Cc1ccccc1 2228613996 OWKSFKVXRFUJGO-UHFFFAOYSA-N 462.037 6.057 50 10 JKGE Cc1ccc([C@@H](Br)c2c(Br)cc(C)c(Cl)c2C)cc1Br 2232527981 GADHXEMCYIQWET-OAHLLOKOSA-N 481.453 7.275 50 10 JKGE COc1cc(Br)c([C@@H](Cl)c2cccc(C)c2I)cc1C 2236013832 UJWDMIIATCRBLQ-HNNXBMFYSA-N 465.556 6.007 50 10 JKGE Cc1cc(Br)c([C@@H](Br)C[C@H]2CCCCC23CC3)cc1Br 2279675313 UUBOWQVVZAOFOB-WBMJQRKESA-N 465.067 7.317 50 10 JKGE Cc1ccc(C[C@H](Br)c2c(F)cc(Br)c(F)c2Br)cc1 2288362845 KMEHKDAKMKOCOB-JTQLQIEISA-N 468.961 6.477 50 10 JKGE COc1cc(C=C(C#N)c2ccc(Cl)cc2)ccc1OC(=O)COc1ccccc1[N+](=O)[O-] 2293124077 WHUJNWDVNDIAPG-UHFFFAOYSA-N 464.861 5.305 50 10 JKGE Brc1cc(Br)cc(C[C@@H](Br)c2ccc3sncc3c2)c1 2295334949 CUZMLVHEXHEPTI-CQSZACIVSA-N 476.031 6.500 50 10 JKGE N#CC(=Cc1ccc(-c2ccccc2[N+](=O)[O-])o1)c1nc(-c2cc3ccccc3oc2=O)cs1 2297369415 GNIJFHHMLZHEPO-UHFFFAOYSA-N 467.462 6.149 50 10 JKGE Cc1cc(C=C(C#N)C(=O)Nc2cccc(Cl)c2Cl)c(C)n1-c1ccc([N+](=O)[O-])c(Cl)c1 2313570688 DBSSERYNEDBCNM-UHFFFAOYSA-N 489.746 6.508 50 10 JKGE C[C@H]1Oc2ccccc2C=C1C=C(C#N)c1nc(-c2cccs2)c(NC(=O)c2cccs2)s1 2314432912 HNRYFUOZCNCTLP-OAHLLOKOSA-N 487.631 6.957 50 10 JKGE Brc1ccc(OCc2ccccc2)c([C@H](Br)C2CCCCCCC2)c1 2314448648 JKZRRRVIPCPLDT-JOCHJYFZSA-N 466.257 7.825 50 10 JKGE Brc1cc(OCc2ccccc2)ccc1[C@@H](Br)C1CC2(CCOC2)C1 2314456629 YJOAZGGCTOPZIT-WJAMPBCPSA-N 466.213 6.281 50 10 JKGE CCOC(=O)COc1ccc(C=C(C#N)c2nc(-c3ccc(Br)cc3)cs2)cc1OC 2314487703 HWKFTKKIKOCZGV-UHFFFAOYSA-N 499.386 5.587 50 10 JKGE Cc1ccc(C)c(NC(=O)C(C#N)=Cc2c(Oc3ccccc3Cl)nc3c(C)cccn3c2=O)c1 2314534112 YVQAWZPKEBASQH-UHFFFAOYSA-N 484.943 5.611 50 10 JKGE Cc1ccc(C[C@@H]2SC(=C(C#N)C(=O)Nc3ccccc3)N(c3ccc(C(C)C)cc3)C2=O)cc1C 2314591722 CHGPRCRUNABQHH-MHZLTWQESA-N 495.648 6.492 50 10 JKGE C=CCOc1cccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)C=Cc4ccccc4Cl)ccc32)c1 2314634703 BJOFUZZYVKTPBR-HHHXNRCGSA-N 484.939 5.742 50 10 JKGE Fc1c(Br)cc(Cl)c([C@H](Br)[C@@H]2[C@H]3COC[C@H]32)c1Br 2315444033 QPGDYKWVJVTVMI-CVUZSJFPSA-N 463.366 5.333 50 10 JKGE COc1ccc(-c2ccc(C(=O)NNC(=O)C=Cc3cccc(OCc4ccccc4)c3)c(C)n2)cc1 2321075948 WQGFCGVLIOONKP-UHFFFAOYSA-N 493.563 5.119 50 10 JKGE Cc1ccc(Cl)cc1NC=C(C#N)C(=O)N1CCN(C(c2ccccc2)c2ccccc2)CC1 2324599271 INSOBEUNHOXJCB-UHFFFAOYSA-N 471.004 5.402 50 10 JKGE C[C@H](NC(=O)C(C#N)=CNc1ccc(Cl)cc1C(F)(F)F)C12CC3CC(CC(C3)C1)C2 2324904407 AJVPNLMMDWZYFA-QRYOHXEKSA-N 451.920 5.899 50 10 JKGE N#CC(=CN1CCN(Cc2ccccc2)CC1)C(=O)Nc1ccccc1Sc1ccccc1 2325336992 OMZXBGYLRYNTJW-UHFFFAOYSA-N 454.599 5.002 50 10 JKGE CC(C)C[C@H](NC(=O)C(C#N)=Cc1cccc(Br)c1)C(=O)Nc1ccc2ccccc2c1 2329692991 BORYRKJLSKBLPF-DEOSSOPVSA-N 490.401 5.679 50 10 JKGE COc1cc(C(O)=C(C#N)c2nc(C(C)(C)C)cs2)c(Br)c(OC)c1OC 2331306279 RWQUSHJOTUPEBO-UHFFFAOYSA-N 453.358 5.179 50 10 JKGE COc1ccc(OCCCC(O)=C(C#N)c2nc(-c3ccc(Cl)c(Cl)c3)cs2)cc1 2331311649 JDPXZBRHNKSFIS-UHFFFAOYSA-N 461.370 6.777 50 10 JKGE CC(C)c1ccc(O[C@@H](C)C(O)=C(C#N)c2nc(-c3ccc(Oc4ccccc4)cc3)cs2)cc1 2331359082 ZMPMLZUNBCJHHC-FQEVSTJZSA-N 482.605 7.986 50 10 JKGE COc1ccc(-c2csc(C(C#N)=C(O)c3ccc4c(c3)C(=O)N(CC(C)C)C4=O)n2)c(C)c1C 2331361337 LBHZSFWUQNLKEZ-UHFFFAOYSA-N 487.581 5.637 50 10 JKGE CCOc1ccc(C=CC(O)=C(C#N)c2nc(-c3ccc(OC)c(C)c3C)cs2)cc1OC 2331362177 GDRVHYTVWZPRJC-UHFFFAOYSA-N 462.571 6.349 50 10 JKGE COC(=O)c1ccc(C=CC(O)=C(C#N)c2nc(-c3ccc(OC)c4ccccc34)cs2)cc1 2331408226 KEVSMWKMNGAHQD-UHFFFAOYSA-N 468.534 6.265 50 10 JKGE Fc1cc(Br)c(Br)cc1[C@@H](Br)C[C@H]1CCC[C@@H]2C[C@H]12 2333605549 PMBUCYILNOOUPM-SVDPJWKOSA-N 455.003 6.613 50 10 JKGE C[C@@H]1C[C@@H]1[C@@H]1C[C@@H]1[C@@H](Br)c1c(Cl)cc(Br)c(F)c1Br 2337104862 RQHOUVSHYTUENT-LGGPFIHHSA-N 475.421 6.732 50 10 JKGE Cc1cc(C)c([C@@H](Br)c2c(Br)c(Br)nn2C)c(C)c1 2338860895 NYMPQTOXXFBUEJ-LLVKDONJSA-N 451.000 5.355 50 10 JKGE Cc1cc([C@H](Br)c2ccc(Cl)cc2I)cc(C)c1F 2340067419 BSZOFDMCKMZNEW-AWEZNQCLSA-N 453.520 6.185 50 10 JKGE Fc1ccc(CBr)c(OCc2ccc(Cl)cc2I)c1 2341046565 DQLFGLWBGMFFKG-UHFFFAOYSA-N 455.492 5.558 50 10 JKGE Cn1ncc([C@@H](Br)CCc2cc(Cl)cc(Cl)c2)c1I 2341184930 WPTHQHIPXYHZKO-LBPRGKRZSA-N 473.967 5.400 50 10 JKGE ClCCC1(NCc2ccc(I)c(Br)c2)CCSCC1 2349855918 RXOJIWBPQMRUGK-UHFFFAOYSA-N 474.633 5.038 50 10 JKGE Clc1ccc(I)cc1CC[C@H](Br)c1ccccc1Cl 2352431169 DGMAWZQVEMBSOE-ZDUSSCGKSA-N 469.975 6.667 50 10 JKGE Cc1cc(Br)c(F)c(Br)c1[C@H](Br)[C@H]1O[C@H]2CC[C@H]1C2 2352553889 OKXANCQQCHQPRK-QGVZQFPHSA-N 456.975 5.663 50 10 JKGE CC(C)(C)OC(=O)NCC[C@H]1CCN(CCCCCCBr)[C@H](C(F)(F)F)C1 2362815223 WWCDEAITCDTMHP-HOTGVXAUSA-N 459.391 5.499 50 10 JKGE Cc1cc(Br)c([C@H](Br)[C@@H]2CC[C@H]2C(C)(C)C)c(C)c1Br 2369132214 QXIFGIQNVGFLHS-XHBSWPGZSA-N 467.083 7.337 50 10 JKGE O=C(N[C@H](CCCl)COCc1ccccc1)c1ccc(Br)c(C(F)(F)F)c1 2369677327 KXCVDWVOEMBJAA-OAHLLOKOSA-N 464.709 5.412 50 10 JKGE CC(C)[S@](=O)(=NCC1(CBr)CC(C)(C)C1)[C@H]1CCN(C(=O)OC(C)(C)C)C1 2371134319 UHZIEKRIFPHMJB-RKOGDMNLSA-N 465.498 5.074 50 10 JKGE COc1cccc2cc(-c3nn(-c4ccccc4)cc3/C=C(\C#N)C(=O)Nc3ccc(C)cc3)oc12 33515844 STVAGZAWHBBMFS-RCCKNPSSSA-N 474.520 6.148 50 10 JKGE N#C/C(=C\c1ccc(-c2cccc(I)c2)o1)c1nc(O)c2ccccc2n1 34988367 YMKGTQLZMCQXBK-SDNWHVSQSA-N 465.250 5.264 50 10 JKGE CCOC(=O)c1c(NC(=O)/C(C#N)=C\c2ccc3noc(-c4ccccc4)c3c2)sc2c1CCCC2 35515992 VOZCAWVGZBQXQL-RGEXLXHISA-N 497.576 6.157 50 10 JKGE CC(C)(C)c1ccc2c(c1)O[C@H](C(=O)N/N=C/c1cc(/N=N/c3ccccc3Cl)ccc1O)CO2 38170356 NHQJJWXPBFELOA-UZKUPUELSA-N 492.963 6.049 50 10 JKGE N#CC1=C(N)Oc2cc(OC(=O)Cc3cccc4ccccc34)ccc2[C@H]1c1cccc(Cl)c1 38651215 ABJJMPBSANEZCN-HHHXNRCGSA-N 466.924 5.859 50 10 JKGE CCOc1ccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)Cc4cccc5ccccc45)ccc32)cc1 38685860 WZICXIOHUVWAJI-GDLZYMKVSA-N 476.532 5.605 50 10 JKGE CS(=O)(=O)c1cccc([C@@H](Br)c2cc(Br)sc2Br)c1 40288805 SJBXHMWDQXMZDL-LLVKDONJSA-N 489.048 5.161 50 10 JKGE CCCCOc1ccc(/C=C(\C#N)C(=O)Oc2ccc(N3C(=O)c4ccccc4C3=O)cc2)cc1 40882615 QTHTUDYDNKJHDM-LVZFUZTISA-N 466.493 5.179 50 10 JKGE COC(=O)/C(C#N)=C/c1cccc(OC(=O)/C=C/c2ccc(OCc3ccc(C)cc3)cc2)c1 40935814 ZJHRADLFGAXOON-UPKKXIRLSA-N 453.494 5.273 50 10 JKGE Cc1ccc(NC(=O)/C(C#N)=C\c2cc(Br)ccc2OCc2cccc(F)c2)cc1 59335789 LHSQHSOGYZIGMZ-UNOMPAQXSA-N 465.322 6.021 50 10 JKGE CCCCCCCCCCCCCCCCCCN(C)C(=O)N[C@@H]1CS(=O)(=O)C[C@@H]1Cl 59568719 XEPFFFRGABTBGA-XZOQPEGZSA-N 479.171 6.294 50 10 JKGE Cl[C@@H](c1cccc(I)c1)c1cc(Br)sc1Br 71087938 NZXVVKZUKRHULN-JTQLQIEISA-N 492.401 6.206 50 10 JKGE COc1ccc(C(=O)Oc2cc(/C=C(/C#N)C(=O)Nc3ccccc3C(F)(F)F)ccc2OC)cc1 96401900 LGZRUCOYLJJFBO-AQTBWJFISA-N 496.441 5.487 50 10 JKGE CCCCCCCCCCCCCCCCN1C=C/C(=C/C=C(\C#N)C(=O)OCC)c2ccccc21 100167122 WQJMOIBRHOOROL-XWFWGDPBSA-N 490.732 8.898 50 10 JKGE COc1ccc([C@@H](Br)c2ccc(I)cc2)c2ccccc12 109838650 FSZRXPYXLFISOP-SFHVURJKSA-N 453.117 5.937 50 10 JKGE COc1ccc(CN(Cc2ccc(OC)cc2)C(=O)N[C@@H]2CC(C)(C)C[C@](C)(CN=C=O)C2)cc1 170289288 DERMVIMPNKZXPI-QDPGVEIFSA-N 479.621 5.336 50 10 JKGE Cc1ccc2nc(-c3ccc(N/C=C(/C#N)C(=O)Nc4cccc5c(O)cccc45)cc3)sc2c1 217075774 KWCKHHBUKRRAKH-MNDPQUGUSA-N 476.561 6.589 50 10 JKGE Brc1cc([C@@H](Br)[C@H]2[C@@H]3CCc4ccccc4[C@@H]23)sc1Br 227474297 QWMKOIXUVDYMHP-QPKOPYBWSA-N 477.059 6.685 50 10 JKGE CC(C)(C)c1ccc([C@H](Br)c2ccc(I)c(Cl)c2)s1 232344961 DVYFNKFUYBBCJF-CQSZACIVSA-N 469.613 6.788 50 10 JKGE CC(C)Oc1ccc([C@H](Br)c2cc(Br)cc(Br)c2)cc1 232688261 WCEQQLZMWVVSHW-INIZCTEOSA-N 463.007 6.483 50 10 JKGE CCCCc1ccc([C@H](Cl)c2cc(I)ccc2Br)cc1 233005051 PQMVQCYSQNKJJN-KRWDZBQOSA-N 463.584 6.725 50 10 JKGE Fc1cc(F)c([C@H](Br)c2cc(Br)c(Br)s2)cc1F 236255745 YGGSWCUBEBTACH-JTQLQIEISA-N 464.926 6.175 50 10 JKGE Cc1ccc(-c2nn(-c3ccccc3)cc2C=NNC(=O)c2cccc(Br)c2)cc1 252624841 PWGCAEOIJMRJOT-UHFFFAOYSA-N 459.347 5.374 50 10 JKGE CC(C)[C@H]1CC[C@@H](C)C[C@@H]1O[C@H](CI)c1ccc(Br)cc1 253142256 XPKWGWWEJZPSTQ-NKGKWGDASA-N 465.213 6.403 50 10 JKGE Cc1cc(C=NNC(=O)CCc2cc(C(C)(C)C)c(O)c(C(C)(C)C)c2)c(C)n1-c1ccc(F)cc1 254294264 UETWLEQCBZIQRW-UHFFFAOYSA-N 491.651 6.617 50 10 JKGE Cc1ccccc1NCC(=O)NN=Cc1c(C)c(C(=O)c2ccc(Cl)cc2)n2ccccc12 254301969 OSRZQJLPFRNZCR-UHFFFAOYSA-N 458.949 5.003 50 10 JKGE COc1ccc(-n2c(SCC(=O)NN=C/C(C)=C/c3ccccc3)nnc2-c2ccccc2)cc1 254696972 HDVOFAWHOCZKSE-HXNZFNDJSA-N 483.597 5.241 50 10 JKGE CC(=NNC(=O)c1ccc(C(=O)NN=C(C)c2ccc(Cl)cc2)cc1)c1ccc(Cl)cc1 254706216 ZKZSIWSDEHCZLC-UHFFFAOYSA-N 467.356 5.301 50 10 JKGE CC(C)CCN1C(=O)C(=NNC(=O)c2cc(-c3cccs3)nc3ccccc23)c2ccccc21 254735021 NWXWMMOLTLXUFI-UHFFFAOYSA-N 468.582 5.490 50 10 JKGE CC(=NNC(=O)c1cc(-c2ccc(C)cc2)nc2ccccc12)c1ccc(-c2ccccc2)cc1 254750985 WVCFPZVPYKTZKL-UHFFFAOYSA-N 455.561 7.031 50 10 JKGE O=C1OC(=O)[C@H]2[C@H]1[C@H]1C[C@H]2[C@H]2[C@@H](c3cccc(Oc4ccccc4)c3)c3sc(=S)[nH]c3S[C@H]21 256027159 UKYMDXXFOWNVFX-QDWVOHSCSA-N 493.631 5.786 50 10 JKGE Fc1cc2c(cc1I)nc(CCl)n2[C@H]1CCCN(Cc2ccccc2)C1 311251382 AXVJSWFWRLPMHN-HNNXBMFYSA-N 483.756 5.356 50 10 JKGE Cc1ccc(I)cc1-n1c(CCl)nc2cc(Br)ccc21 312513947 DXTSAVVWTCHUCC-UHFFFAOYSA-N 461.528 5.440 50 10 JKGE Cc1ccc(Br)cc1CC(CBr)(CBr)c1ccccc1 313688513 VWLLRWLSAYECAG-UHFFFAOYSA-N 461.035 6.028 50 10 JKGE Clc1ccc(I)c([C@H]2CN(Cc3ccccc3)C[C@@H]2CBr)c1 382708402 GDBIYOIXEJAGMR-YOEHRIQHSA-N 490.610 5.555 50 10 JKGE CC(C)(C)OC(=O)N[C@H](CCC(CCl)=NOCc1ccccc1)C(=O)OCc1ccccc1 694836027 PNNFUEJDTYIUJA-JOCHJYFZSA-N 474.985 5.215 50 10 JKGE CCOc1ccc([C@H](Cl)c2scc(Br)c2Br)cc1Br 705470145 YIDIRNCTHOIIRN-LBPRGKRZSA-N 489.454 6.763 50 10 JKGE O=C([C@H](c1cccs1)N(C(=O)CCl)c1cccc(C(F)(F)F)c1)N1Cc2ccccc2C1 725239811 FKTBIWPXFSNAGK-NRFANRHFSA-N 478.923 5.622 50 10 JKGE CCOc1ccc(NC(=O)/C(C#N)=C\c2cc(Cl)ccc2OCc2ccccc2Cl)cc1 1084636917 PXSZRMSZEAPQLT-UYRXBGFRSA-N 467.352 6.517 50 10 JKGE FC(F)(F)c1cccc(-n2nc(-c3ccc(I)cc3)cc2CCl)c1 1614817622 XWDVGHUVQWMTDS-UHFFFAOYSA-N 462.640 5.902 50 10 JKGE COc1ccc(C)cc1NC(=O)c1oc2c(c1C)C(=NNC(=O)c1ccc3ccccc3n1)CCC2 1772751484 SCLHWXNMEOYJRN-UHFFFAOYSA-N 482.540 5.176 50 10 JKGE CC(C)(C)c1ccc([C@H]2C(C#N)=C(N)Oc3c2c(C(F)(F)F)nn3Cc2ccc(Cl)cc2)cc1 1865682208 IXLUIVXDBHZJOQ-IBGZPJMESA-N 486.925 6.119 50 10 JKGE COc1ccc(-c2nn(CC(C)C)c3c2[C@@H](c2c(Cl)cccc2Cl)C(C#N)=C(N)O3)cc1 1865686611 XQZZBWLSTWTBCE-LJQANCHMSA-N 469.372 5.740 50 10 JKGE COc1ccc(-c2nn(Cc3ccc(Cl)cc3)c3c2[C@H](c2cc(C)ccc2O)C(C#N)=C(N)O3)cc1 1865687731 YXAZPKVVHCGGKY-XMMPIXPASA-N 498.970 5.493 50 10 JKGE CCCCCOc1ccc([C@H]2C(C#N)=C(N)Oc3c2c(C(F)(F)F)nn3CCC)cc1OCC 1865690888 DLQWMBDNPPURPQ-IBGZPJMESA-N 478.515 5.498 50 10 JKGE CCOc1cc([C@H]2C(C#N)=C(N)Oc3c2c(C)nn3-c2ccccn2)ccc1OCc1ccccc1C 1865702871 HFWSZWNZQCSKHW-MHZLTWQESA-N 493.567 5.080 50 10 JKGE N#CC1=C(N)Oc2c(c(-c3ccccc3)nn2Cc2ccc(Cl)cc2)[C@@H]1c1ccc(F)cc1 1865708216 QSRUMOIYTKIYAM-JOCHJYFZSA-N 456.908 5.609 50 10 JKGE CCCc1ccc(OCC(=O)NNC(=O)c2ccc(-c3ccc(Cl)c(Cl)c3)nc2C)cc1 1865759207 NLSCSRYZEAWRNP-UHFFFAOYSA-N 472.372 5.156 50 10 JKGE CCC[C@@H](NC(=O)C[C@H](c1ccc(C(C)C)cc1)C(C)C)C(=O)Nc1ccc(SC#N)cc1 1866738204 FCXNJVAMWILGLH-LOSJGSFVSA-N 465.663 6.436 50 10 JKGE CCCC[C@@H](NC(=O)C[C@H](c1ccccc1)c1cccc(F)c1)C(=O)Nc1ccc(SC#N)cc1 1866774764 CXZYCNOJMVPIFD-CLJLJLNGSA-N 489.616 6.235 50 10 JKGE CC[C@H](C(=O)N[C@@H](C(=O)Nc1ccc(SC#N)cc1)c1ccccc1)c1ccc(Cl)cc1 1866948442 GTUQZZKHRREODP-XZOQPEGZSA-N 463.990 5.903 50 10 JKGE O=c1c(-c2ccc(Cl)c(Cl)c2)c(C2CCC2)oc2cc(OCc3ccc(CCl)cc3)ccc12 1871436629 IGPYLHFBNLQCMB-UHFFFAOYSA-N 499.821 8.352 50 10 JKGE COc1ccc(-c2csc(/C(C#N)=C(\O)c3ccccc3C(=O)c3ccccc3)n2)cc1C 1872744871 MKDGZASQXBBQDG-ROMGYVFFSA-N 452.535 6.308 50 10 JKGE N#C/C(=C(/O)CN1C(=O)COc2ccc(Cl)cc21)c1nc(-c2ccc3ccccc3c2)cs1 1872745098 BFQQQDJBQGNFFN-QOCHGBHMSA-N 473.941 5.835 50 10 JKGE N#C/C(=C(O)\C=C\c1ccc(OCc2ccccc2)cc1)c1nc(-c2ccc([N+](=O)[O-])cc2)cs1 1872747316 XAKSBYBTNOFJNR-PLRMCZRGSA-N 481.533 6.803 50 10 JKGE CCOc1ccc(OCC)c(-c2csc(/C(C#N)=C(O)/C(=C\c3ccccc3)c3ccccc3)n2)c1 1872754811 KDBGTQGDYCDPLZ-YINAVUDMSA-N 494.616 7.641 50 10 JKGE COc1c(Cl)cc(-c2csc(/C(C#N)=C(\O)c3cccc(OC(C)=O)c3)n2)cc1Cl 1872755707 AYIXVNXENXHXMN-CYVLTUHYSA-N 461.326 6.001 50 10 JKGE COc1ccc(-c2csc(/C(C#N)=C(\O)Cc3ccc(NC(C)=O)cc3)n2)c2ccccc12 1872758443 AFKNWRMORKRSHU-GYHWCHFESA-N 455.539 5.966 50 10 JKGE CCCCCCOc1ccc(/C=C(\C#N)c2nc(-c3ccc4ccccc4c3)cs2)cc1OC 1872782966 ZIRVJQCPMGZEEZ-PCLIKHOPSA-N 468.622 7.995 50 10 JKGE CCOc1cc(/C=C(\C#N)c2nc(-c3cc(C)ccc3OC)cs2)cc(Br)c1O 1872790722 BBDHQOCMUTWSEF-OVCLIPMQSA-N 471.376 6.058 50 10 JKGE CCOc1cc(/C=C(\C#N)c2nc(-c3ccc(F)cc3)cs2)ccc1OCc1ccccc1 1872791636 PBMJGLNVKRZEDI-HYARGMPZSA-N 456.542 6.991 50 10 JKGE CCCCOc1ccc(/C=C(\C#N)c2nc(-c3ccc4c(c3)OCCO4)cs2)cc1OCC 1872791833 UXCXRQVFFCXWCI-DEDYPNTBSA-N 462.571 6.223 50 10 JKGE COc1cc(C)c(-c2csc(/C(C#N)=C/c3ccc(OCc4ccccc4C)cc3)n2)cc1C(C)C 1872793082 HNBTUXODZBBRGL-MFKUBSTISA-N 494.660 8.202 50 10 JKGE COc1ccc(C)cc1-c1csc(/C(C#N)=C(\O)c2ccc(N3C(=O)c4ccccc4C3=O)cc2)n1 1873921099 VAHDCDNDSOQQJO-LVWGJNHUSA-N 493.544 5.878 50 10 JKGE Brc1cc(Br)c([C@H](Br)[C@@H]2COc3ccccc32)s1 1922939263 HIXUFOWHFCALBK-PRHODGIISA-N 452.993 5.885 50 10 JKGE Clc1c(Br)sc(Br)c1[C@@H](Cl)c1ccc2c(c1)OCCO2 1923048531 HMXYJTHLZMKAGT-JTQLQIEISA-N 458.986 6.026 50 10 JKGE F[C@@H]1CCC[C@H]([C@@H](Cl)c2c(Br)sc(Br)c2Br)C1 1924570898 NDORAQWQMFGGGO-CCGCGBOQSA-N 469.439 6.844 50 10 JKGE Cl[C@H](c1c(Br)sc(Br)c1Br)[C@H]1CCCCO1 1924579780 JXJWHTOSVVCLRQ-XRGYYRRGSA-N 453.421 5.885 50 10 JKGE CC[C@@]1([C@@H](Cl)c2c(Br)sc(Br)c2Br)CCCO1 1924616988 WAPJEHYUVGVDDL-KWQFWETISA-N 467.448 6.275 50 10 JKGE C[C@H]1CCN(Cc2ccccc2)CCN1c1ccc(CBr)c(Br)c1 1947751378 IAMMCIXQFANJLB-INIZCTEOSA-N 452.234 5.445 50 10 JKGE C[C@H]1CCN(Cc2ccccc2)CCN1c1ccc(Br)cc1CBr 1947754214 MLLOAUXNTGBUCK-INIZCTEOSA-N 452.234 5.445 50 10 JKGE CC(C)[C@@H](CBr)N(Cc1ccccc1)Cc1cccc(Br)c1Cl 1979520596 SAEBMKUAHBZXDN-GOSISDBHSA-N 459.653 6.524 50 10 JKGE Clc1cc(Br)c([C@@H](Br)c2c(Cl)cccc2Br)s1 2003560047 HJSLVLMUZIFGHS-JTQLQIEISA-N 479.846 7.064 50 10 JKGE CC[C@H]([C@@H](Br)c1c(Br)sc(Br)c1Cl)C(C)(F)F 2004478052 HUHXWUMTDXBBEP-INEUFUBQSA-N 475.418 7.044 50 10 JKGE FC(F)(F)CC1([C@@H](Br)c2cc(Br)c(Br)s2)CC1 2007730290 DARRHGWYMXWLJV-ZETCQYMHSA-N 456.947 6.442 50 10 JKGE CC(C)(C)C[C@H](Br)CNC(=O)c1csc(Br)c1Br 2032953419 IVJVFUDYRUVNAJ-ZETCQYMHSA-N 462.045 5.203 50 10 JKGE Clc1c(Br)cccc1C[C@H](Br)c1cccc(Br)c1 2081411559 IXJLDSIQVQJAQE-ZDUSSCGKSA-N 453.399 6.544 50 10 JKGE COc1c(Cl)cc(Br)cc1[C@@H](Br)c1ccoc1Br 2082858813 LDVRULRCUBNXOI-JTQLQIEISA-N 459.359 5.951 50 10 JKGE Cc1cc(Br)ccc1[C@@H](Br)c1ccc(Br)cc1Br 2083341164 XYDWHJGPSHLPHK-CQSZACIVSA-N 497.850 6.767 50 10 JKGE Cl[C@@H](c1ccc(CC2CC2)s1)c1cc(I)ccc1Br 2087646134 RTFXWVJUMAHJQB-OAHLLOKOSA-N 467.597 6.396 50 10 JKGE Cc1cc2sc([C@H](Br)c3cc(Br)ccc3Br)cc2s1 2100332542 CRXJXRZAZZPVIL-CQSZACIVSA-N 481.072 7.281 50 10 JKGE BrC[C@@H]1CC12CCN(Cc1cc(Br)ccc1Br)CC2 2118524679 LQXGGGFLCJGIPW-LBPRGKRZSA-N 452.028 5.209 50 10 JKGE Brc1ccc(Br)c([C@@H](Br)c2ccc3nsnc3c2)c1 2120645654 MANBXNRURJYXHM-ZDUSSCGKSA-N 462.992 5.701 50 10 JKGE Clc1c(Br)sc(Br)c1[C@H](Br)[C@@H]1C[C@H]1C1CCOCC1 2135277641 NZKHQRUMRCPWJD-QXFUBDJGSA-N 493.486 6.425 50 10 JKGE COc1ccc(COc2c(Br)cc(Br)cc2CBr)cn1 2151943974 BCZXABXTXOBOCD-UHFFFAOYSA-N 465.967 5.089 50 10 JKGE C[C@H]([C@@H]1CCN(Cc2ccccc2)C1)n1c(CCl)nc2cc(Br)c(Cl)cc21 2159869748 BKVTYSLWFHKVLF-GDBMZVCRSA-N 467.238 6.274 50 10 JKGE CC[C@@H](Br)[C@@H]1CCCCN1C(=O)c1c(Br)cccc1Br 2170604100 LFPXHAQHPFPCKI-MFKMUULPSA-N 468.027 5.380 50 10 JKGE C[C@@H]1C[C@H](C(F)(F)F)N(CC2(CBr)CCCC2)CCN1C(=O)OC(C)(C)C 2178262641 FJGFVYUKDQHSPO-HUUCEWRRSA-N 457.375 5.204 50 10 JKGE CC(C)(C)OC(=O)NCCSSCCNCc1cc(Br)ccc1OC(F)F 2181748430 VLILAVPOWVJTHU-UHFFFAOYSA-N 487.432 5.046 50 10 JKGE CC(C)(C)[C@@H]1[C@@H](Br)CCN1C(=O)c1cc(Br)cc(Br)c1 2185100092 MXLXYEWSMUYEHW-STQMWFEESA-N 468.027 5.236 50 10 JKGE FCCOc1cccc([C@@H](Br)c2c(Cl)sc(Br)c2Cl)c1 2189518069 NHWWCEIIKWGTEL-SNVBAGLBSA-N 462.993 6.650 50 10 JKGE BrCc1cc(Br)c(OC[C@@H]2C[C@]23CCCOC3)c(Br)c1 2198178849 JBGWGJCZHIKEQL-NHYWBVRUSA-N 469.011 5.302 50 10 JKGE Cc1cc(Br)c(C)c([C@H](Br)C2(CC(F)(F)F)CC2)c1Br 2201074658 ATTMMVNNUYFDBV-LBPRGKRZSA-N 478.972 6.997 50 10 JKGE Cc1sc([C@H](Br)c2c(Cl)sc(Cl)c2Cl)cc1Br 2213746190 GXOGXHGQUZZECE-ZETCQYMHSA-N 455.451 7.325 50 10 JKGE Cc1c(Br)sc([C@@H](Cl)c2cccc(F)c2I)c1C 2218784387 XTZYKWHUVYVGQU-JTQLQIEISA-N 459.549 6.199 50 10 JKGE CC(C)[C@@H](CBr)N(Cc1ccccc1)S(=O)(=O)Cc1ccccc1Br 2218982766 DFUHVJFDXVYMHH-LJQANCHMSA-N 489.273 5.201 50 10 JKGE FC(F)CCCCC(CBr)(CBr)c1ccccc1Br 2230109191 SZUPDKBTBGYWSS-UHFFFAOYSA-N 462.998 6.302 50 10 JKGE O=S1(=O)CCC[C@@H]([C@H](Br)c2c(Br)cc(Cl)c(Cl)c2Cl)C1 2232519773 LSJLGMZTUMKTIF-LDWIPMOCSA-N 485.452 5.670 50 10 JKGE Cc1ccc([C@H](Br)c2ccc(-c3cccs3)s2)cc1I 2232834795 MXNCFNFEKKMCPX-INIZCTEOSA-N 475.214 6.874 50 10 JKGE ClCCc1nc2ccc(Cl)c(Cl)c2n1C[C@@H]1CC1(Br)Br 2233040710 QNGYOGOCHBQSSY-ZETCQYMHSA-N 461.412 5.630 50 10 JKGE COc1cc([C@@H](Br)c2cc(Br)c(Br)cc2F)ccc1C 2233975618 KUBSJYCYAAYJSC-OAHLLOKOSA-N 466.970 6.152 50 10 JKGE CC(C)c1ccccc1[C@H](Br)c1cc(Br)c(Br)cc1F 2233993383 YXPRFGPXHKLHCO-INIZCTEOSA-N 464.998 6.958 50 10 JKGE Cc1cc(Br)c([C@H](Br)[C@H]2CC23CCOCC3)c(C)c1Br 2235610450 FTTUIWBZKVIWRE-IAQYHMDHSA-N 467.039 6.081 50 10 JKGE Fc1cc(Br)cc([C@@H](Br)c2c(F)cc(F)c(Br)c2F)c1 2236110015 OIHUAJWRPRDWKZ-LLVKDONJSA-N 476.887 6.252 50 10 JKGE Cl[C@H](c1cc2sc(Br)cc2s1)c1cscc1OCc1ccccc1 2252904013 AFBDXTFITIPEEX-SFHVURJKSA-N 455.851 7.694 50 10 JKGE Fc1cc(Br)c(F)c(Br)c1[C@H](Br)CCCC(F)F 2260067618 APRYWETXBJBONF-RXMQYKEDSA-N 456.897 6.361 50 10 JKGE Brc1cc(Br)cc(C[C@H](Br)c2scc3c2CCCC3)c1 2295329418 IFPIPLRXZXNVQP-HNNXBMFYSA-N 479.075 6.831 50 10 JKGE N#CC1=C(N)OC2=C(CCCC2=Cc2ccc(Cl)cc2Cl)[C@H]1c1ccc(Cl)cc1Cl 2297109882 QLLPKSDLBNFQPY-OAQYLSRUSA-N 478.206 7.629 50 10 JKGE CCOc1cc(C=C(C#N)C(=O)Nc2ccc(NC(C)=O)cc2)ccc1OCc1ccc(F)cc1 2297491185 PRUPMQDVNFQIQW-UHFFFAOYSA-N 473.504 5.307 50 10 JKGE N#CC(=Cc1c(OCc2ccc([N+](=O)[O-])cc2)ccc2ccccc12)C(=O)Nc1ccccc1Cl 2297504667 DBMPPZAUYCAPCO-UHFFFAOYSA-N 483.911 6.526 50 10 JKGE Cc1cccc(C)c1NC(=O)C(C#N)=Cc1ccc(-c2ccc([N+](=O)[O-])cc2Br)o1 2297531533 BCNDUWXXYBZZKF-UHFFFAOYSA-N 466.291 5.780 50 10 JKGE FC1(F)CC[C@H]1C[C@@H](Cl)c1c(Br)sc(Br)c1Br 2299067515 ITRBUMGGQVUSPS-CRCLSJGQSA-N 473.402 6.751 50 10 JKGE COc1cc(C=C(C#N)c2ccc([N+](=O)[O-])cc2)cc(Br)c1OCc1ccc(Cl)cc1 2313521479 RADDSJRYFXDQJH-UHFFFAOYSA-N 499.748 6.662 50 10 JKGE Cc1cc(C=C(C#N)C(=O)Nc2cccc(Cl)c2Cl)c(C)n1-c1ccc(N(C)C)cc1 2313570608 BBXKGMBCWOKEDX-UHFFFAOYSA-N 453.373 6.013 50 10 JKGE N#CC(=Cc1ccc(OCc2ccc(Br)cc2)cc1)C(=O)Nc1ccccc1Cl 2313631210 METBDAIAGXFECC-UHFFFAOYSA-N 467.750 6.227 50 10 JKGE CCOc1cc(C=C(C#N)C(=O)Nc2ccc(C)c(C)c2)ccc1OCc1cccc(Cl)c1 2313738809 QONIERBAUARRAK-UHFFFAOYSA-N 460.961 6.480 50 10 JKGE FC1CC2(C1)CC([C@@H](Br)c1cc(Br)ccc1OCc1ccccc1)C2 2314442099 DIVBPXZSZHCIGW-YMKQNUHNSA-N 468.204 6.992 50 10 JKGE N#CC(=Cc1cn(-c2ccccc2)nc1-c1ccc(Cl)cc1)c1nc(-c2ccc(Cl)cc2)cs1 2314487746 JVRNOTYRANUVHY-UHFFFAOYSA-N 499.426 8.034 50 10 JKGE Brc1cc(OCc2ccccc2)ccc1[C@H](Br)[C@@H]1Cc2ccccc21 2314501060 TYPBIBKZAOSAFF-IRLDBZIGSA-N 458.193 6.804 50 10 JKGE Cc1cc([C@@H](Br)c2c(Cl)sc(Cl)c2C)ccc1I 2314507676 TZKSWOFVCXCRJL-LLVKDONJSA-N 476.004 6.761 50 10 JKGE Cc1c(Cl)sc(Cl)c1[C@H](Br)c1ccc(I)c(Cl)c1 2314510260 BPMBQBWAYWYRJA-SNVBAGLBSA-N 496.422 7.106 50 10 JKGE CCOc1cc(C=C2C(=O)N(Cc3ccccc3)C(=O)C(C#N)=C2C)ccc1OCCC(C)C 2314618556 PLRIYGCJZOFFTO-UHFFFAOYSA-N 458.558 5.303 50 10 JKGE CCCCCCOc1ccc(C=C(C#N)C(=O)Nc2ccccc2C(=O)OCC)cc1OC 2314728824 MKLWSXLJMKPQPB-UHFFFAOYSA-N 450.535 5.377 50 10 JKGE Fc1c(Br)cc(Cl)c([C@H](Br)C[C@H]2CCOC2)c1Br 2315437314 VWYAVOVKKIRYFA-RNFRBKRXSA-N 465.382 5.867 50 10 JKGE COC(=O)c1c(NC(=O)C(C#N)=Cc2ccc(OC)cc2)sc(C)c1-c1ccc(C)c(C)c1 2329622235 WVVCPXXYITYWSP-UHFFFAOYSA-N 460.555 5.681 50 10 JKGE CCCOc1ccc(-c2csc(NC(=O)C(C#N)=Cc3ccc(Cl)cc3)c2C(=O)OCC)cc1 2329654268 DJFYVAKNCIUYCB-UHFFFAOYSA-N 495.000 6.580 50 10 JKGE COc1ccc(C)cc1-c1csc(C(C#N)=C(O)CCCOc2ccc(Cl)cc2Cl)n1 2331324328 KGUYCVSHOAJHOJ-UHFFFAOYSA-N 475.397 7.086 50 10 JKGE CC(C)c1ccc(-c2csc(C(C#N)=C(O)[C@H](C)Oc3ccc(Cl)cc3Cl)n2)cc1 2331341581 IEIOSUGAZNIGOC-AWEZNQCLSA-N 459.398 7.500 50 10 JKGE COc1c(C)cc(C)cc1-c1csc(C(C#N)=C(O)COc2cc(C)c(Cl)c(C)c2)n1 2331373215 NANROPNBMGAJHT-UHFFFAOYSA-N 454.979 6.577 50 10 JKGE COc1cc(OC)c(-c2csc(C(C#N)=C(O)c3c(Cl)ccc(Cl)c3OC)n2)cc1Cl 2331381065 DPJALIAYZIJYPP-UHFFFAOYSA-N 497.787 6.746 50 10 JKGE Cc1ccc(-c2csc(C(C#N)=Cc3ccc(OCc4ccc(Cl)cc4)cc3)n2)c(C)c1 2331443248 CBUGBRGMDBQLRR-UHFFFAOYSA-N 456.998 7.724 50 10 JKGE Cc1ccc(C)c(-c2csc(C(C#N)=Cc3ccc(OCc4ccc(Cl)cc4Cl)cc3)n2)c1 2331445818 PCJNFIXQHUAVLQ-UHFFFAOYSA-N 491.443 8.377 50 10 JKGE COc1cc(C=C(C#N)c2nc(-c3ccc(C(C)C)cc3)cs2)cc(Br)c1O 2331456544 BETWNPODBLHGBS-UHFFFAOYSA-N 455.377 6.474 50 10 JKGE CCOc1ccc(-c2csc(C(C#N)=Cc3ccc(OCc4ccccc4C)cc3)n2)c(OCC)c1 2331473848 IUAHVQZPCDVUEH-UHFFFAOYSA-N 496.632 7.559 50 10 JKGE COc1ccc(-c2csc(C(C#N)=Cc3ccc(OC(=O)c4ccccc4)cc3)n2)cc1Cl 2331484872 YXCHGSUXBYVPSG-UHFFFAOYSA-N 472.953 6.755 50 10 JKGE COCC1(C[C@@H](Br)c2c(Cl)cc(Br)c(F)c2Br)CC1 2337095177 XNARPFYQNUKFRA-MRVPVSSYSA-N 479.409 6.257 50 10 JKGE FC1(F)CCC2(CC1)C[C@H]2[C@H](Br)c1sc(Cl)cc1I 2338567317 YWUIEQMISPCAJF-XVKPBYJWSA-N 481.571 6.658 50 10 JKGE Cc1cc(Br)c(F)c(Br)c1[C@H](Cl)c1cn(C)nc1Br 2339658759 LJYXMUIUACLWGL-SNVBAGLBSA-N 475.381 5.483 50 10 JKGE CN(Cc1cc(I)ccc1Cl)C1(CBr)CCCCC1 2352414542 VHXSJQHYUKTXMI-UHFFFAOYSA-N 456.593 5.474 50 10 JKGE ClCc1cccc(OCc2cc(I)ccc2Cl)c1Br 2352427070 YXZRITDFJRKRLK-UHFFFAOYSA-N 471.947 6.025 50 10 JKGE Fc1cc(F)cc([C@@H](Br)c2c(Cl)cc(Br)c(F)c2Br)c1 2362230456 QGWUAQKRQAEJBL-LLVKDONJSA-N 493.342 6.767 50 10 JKGE Fc1c(Br)cc(Cl)c([C@@H](Cl)C2(CC(F)(F)F)CC2)c1Br 2362237464 PETXPTHYIWPAOB-SNVBAGLBSA-N 458.902 7.017 50 10 JKGE CN(c1cc(Cl)c(F)cc1CBr)C1C[C@@H]2CC[C@H](C1)N2Cc1ccccc1 2362393977 IAUMCRIXNWMTGF-DFNIBXOVSA-N 451.811 6.006 50 10 JKGE Cc1cc(Br)c([C@H](Cl)c2c(Br)nc(C)n2C)c(C)c1Br 2362443740 DPEHBDQYDRWBAP-LBPRGKRZSA-N 485.445 5.961 50 10 JKGE Brc1cc(Br)cc(C[C@@H](Br)[C@@H]2C[C@H]3CCC[C@H]2CC3)c1 2364129408 HYHPRSPHVYDJRU-XYZKALLWSA-N 465.067 6.734 50 10 JKGE Clc1ccc([C@H](CBr)OCc2c(Br)cccc2Br)cc1 2366145285 PXCAZJHVUTWLLT-HNNXBMFYSA-N 483.425 6.518 50 10 JKGE BrCc1cc(Br)cc(Br)c1OCC[C@H]1CC[C@@H]1C1CC1 2368464224 JYXOEXDYEUGBGR-BXUZGUMPSA-N 467.039 6.312 50 10 JKGE FC(F)(F)[C@H]1[C@H](Br)CCCN1Cc1cccc(Br)c1Br 2370292136 NSBZDAMTIKJPJV-ZYHUDNBSSA-N 479.960 5.502 50 10 JKGE Fc1cc(OCc2cc(Br)ccc2Br)cc(Cl)c1CBr 2379786217 HMEBGSRPRVOARD-UHFFFAOYSA-N 487.388 6.478 50 10 JKGE Cc1ccccc1Oc1nc2c(C)cccn2c(=O)c1/C=C(/C#N)S(=O)(=O)c1ccc(Cl)cc1 2198539 MCVBBAVZMHZRGZ-ZHZULCJRSA-N 491.956 5.095 50 10 JKGE CN(C)/C=N/C1=C(C#N)[C@@H](c2ccc(F)cc2)c2c(-c3ccccc3)nn(-c3ccccc3)c2O1 8432888 LYZXHZFKXIOYDD-FIMPJCGCSA-N 463.516 5.528 50 10 JKGE CC1(C)OC(C)(C)C(C)(C)N(C(=O)[C@@H](Br)C23CC4CC(CC(C4)C2)C3)C1(C)C 8952075 NCNOSEWQYJXNGX-ZWGBCBFGSA-N 454.493 5.940 50 10 JKGE Cc1ccc(/C=N/N(C(=O)c2ccc(N3C(=O)CCC3=O)cc2)c2nc3ccc(F)cc3s2)cc1 9148928 YZSLADJFAYEQBD-RWPZCVJISA-N 486.528 5.078 50 10 JKGE Cc1cccc(Oc2nc3c(C)cccn3c(=O)c2/C=C(\C#N)c2nc3ccccc3n2C)c1C 33588003 XVWBICABSCDOJO-HMMYKYKNSA-N 461.525 5.363 50 10 JKGE Cc1ccc(NC(=O)/C(C#N)=C/c2cn(-c3ccccc3)nc2C23CC4CC(CC(C4)C2)C3)cc1 35447040 YGVHJTIBZMZITD-ZVHZXABRSA-N 462.597 6.194 50 10 JKGE Cn1c(/C(C#N)=C\c2c(Oc3ccc(Br)cc3)nc3ccccn3c2=O)nc2ccccc21 35549673 FAAKDEUMGUWPJK-PEZBUJJGSA-N 498.340 5.200 50 10 JKGE CCn1c(-c2ccc(C(=O)NNC(=O)c3ccc(Cl)cc3Cl)s2)nc2ccccc21 35554039 YVIIADZDMVRZAW-UHFFFAOYSA-N 459.358 5.166 50 10 JKGE CCCOc1ccc(C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@@H]3c2ccc(C(C)(C)C)cc2)cc1 38649776 HOVONQKFZUPAOT-HHHXNRCGSA-N 482.580 6.210 50 10 JKGE Cc1cc(OC(=O)c2oc3c(c2C)/C(=N/NC(=O)COc2ccccc2)CCC3)ccc1Cl 40816223 XWGSAEKHWDXHQS-NHFJDJAPSA-N 466.921 5.005 50 10 JKGE C=C(C)c1cccc(C(C)(C)NC(=O)N/N=C/c2ccc(OCc3ccccc3)c(OC)c2)c1 40859162 ZJMWTXXEXYXWCF-RDRPBHBLSA-N 457.574 5.876 50 10 JKGE CCOc1cc(/C=N\NC(=O)CC[C@@H](O)c2ccccc2)ccc1OCc1ccc2ccccc2c1 58890379 SFNAZCBYPZSQFZ-CMKSJBIWSA-N 482.580 5.781 50 10 JKGE COc1cc(/C=C(/C#N)C(=O)NCc2ccccc2)ccc1OCc1cccc(C(F)(F)F)c1 96438724 HFHQESHVZHRPRY-MTJSOVHGSA-N 466.459 5.516 50 10 JKGE CCOc1ccc(NC(=O)/C(C#N)=C\c2c(C)n(Cc3ccccc3C#N)c3ccccc23)cc1 96838656 IWLSGTBDQCXSPS-KQWNVCNZSA-N 460.537 5.814 50 10 JKGE CCCCCCCCCCCCCC(=O)NNC(=O)c1ccc(NC(=O)c2ccccc2)cc1 100443090 LESLTSXHQKNMGB-UHFFFAOYSA-N 465.638 6.401 50 10 JKGE CCCCCCN1C(=O)C(C#N)=C(C)/C(=C\c2cn(-c3ccccc3)nc2-c2ccc(Cl)cc2)C1=O 101333498 FEFOJXYYMSYBOQ-KOEQRZSOSA-N 499.014 6.365 50 10 JKGE Cc1cc(Br)c([C@@H](Br)[C@H]2Cc3ccccc3O2)cc1Br 128767263 KEIIYOLGZXUYCE-HZPDHXFCSA-N 460.991 5.960 50 10 JKGE O=[N+]([O-])c1ccc(C[C@H](Br)c2cc(Br)c(Br)s2)cc1 128930136 QHJCHNSFJPPAOO-VIFPVBQESA-N 469.980 5.860 50 10 JKGE C[C@@H](O[Si](C)(C)C)[C@]1(O)CC[C@H]2[C@@H]3CC[C@H]4C[C@@H](O[Si](C)(C)C)CC[C@]4(C)[C@H]3CC[C@@]21C 195754564 PYOLIIABYCOZPT-OLROJSRXSA-N 480.882 7.220 50 10 JKGE CCCCOc1ccc(/C=C(/C#N)C(=O)Nc2sc(C(=O)OCC)c(C)c2C(=O)OCC)cc1 206272180 MSSOXPCDTLSWOM-JXAWBTAJSA-N 484.574 5.135 50 10 JKGE CCOC(=O)c1c(NC(=O)/C(C#N)=C\c2ccc(-c3cccc(F)c3)o2)sc2c1CC[C@H](CC)C2 209398976 CHLRXQBLBLYUTR-IYWFSZBXSA-N 492.572 6.384 50 10 JKGE CCOC(=O)c1c(NC(=O)c2nc(C)sc2-c2ccccc2)sc(/C(C)=C\C#N)c1C 210165304 FWMZJWYDXRHXDV-QBFSEMIESA-N 451.573 5.844 50 10 JKGE N#C/C(=C/N1CCN(c2cccc(Cl)c2)CC1)C(=O)NC1CCCCCCCCCCC1 217260071 BXOSTWWNFUTHPH-DQRAZIAOSA-N 457.062 5.659 50 10 JKGE Cc1cc([C@H](Br)c2ccc(I)c(Cl)c2)c(C)cc1Cl 232344147 GYORFWIHHIRXQU-OAHLLOKOSA-N 469.975 6.699 50 10 JKGE Clc1cc([C@@H](Cl)c2cc(Br)c(Cl)s2)ccc1I 232345589 HYAURCSEQZUSKU-SNVBAGLBSA-N 482.395 6.750 50 10 JKGE Cc1cc([C@@H](Br)c2cc(Br)cc(Br)c2)c(F)cc1F 235861996 FFZWQZFHZRUPLK-AWEZNQCLSA-N 454.934 6.283 50 10 JKGE CC(=O)Nc1ccc(C(C)=NNC(=O)c2cc(-c3ccc(OC(C)C)cc3)nc3ccccc23)cc1 252595555 CCCVMJTZUZPANI-UHFFFAOYSA-N 480.568 5.801 50 10 JKGE CC(=O)N(N=Cc1ccc([N+](=O)[O-])o1)c1cc(-c2ccccc2)c2cc(Br)ccc2n1 252626913 RIFUESJESUDJKI-UHFFFAOYSA-N 479.290 5.553 50 10 JKGE Cc1cc(C=NNC(=O)c2cc3c(ccc4ccccc43)o2)c(C)n1-c1ccc(N(C)C)cc1 252642060 ZJKFODDILHRJIQ-UHFFFAOYSA-N 450.542 5.823 50 10 JKGE CC[C@H](Cl)C(=O)O[C@H]1CC[C@@]2(C)C(=CC[C@H]3[C@H]2CC[C@]2(C)[C@H]([C@H](C)CCCC(C)C)CC[C@H]32)C1 253530055 AYVNXDFYJLGZKZ-YCQKPUPNSA-N 491.200 8.957 50 10 JKGE biogenic O=C(NN=Cc1ccc(F)cc1)c1cc(-c2ccccc2OCc2cccc3ccccc23)n[nH]1 254399978 NRAMMUZLIVZNPT-UHFFFAOYSA-N 464.500 5.712 50 10 JKGE O=C(/C=C\c1ccccc1)Oc1ccc(C=NNC(=O)c2ccccc2OCc2ccccc2)cc1 254708941 VDGOURFKWGKCFX-GUAYGAMUSA-N 476.532 5.648 50 10 JKGE Cc1cc([C@@H](Cl)c2cc(Br)cc(Br)c2)sc1Br 300465900 DLVAPUCXTRAINN-NSHDSACASA-N 459.428 6.672 50 10 JKGE Cc1cccc([C@H](Br)c2cc(Cl)c(Br)s2)c1Br 300469154 WNIBEVWDEVGPAS-NSHDSACASA-N 459.428 6.719 50 10 JKGE Cc1c(Br)cccc1[C@@H](Cl)c1cc(I)cc2c1OCC2 379975054 IPANRBNQSQPIHZ-OAHLLOKOSA-N 463.540 5.625 50 10 JKGE C[C@H](COCc1ccccc1)Cn1c(CCl)nc2cc(I)c(F)cc21 390429345 ZOKPBUSTNVSCTH-ZDUSSCGKSA-N 472.729 5.372 50 10 JKGE Fc1cccc(Br)c1[C@@H](Br)c1cc(Cl)c(Cl)c(Cl)c1Cl 404670374 XLLZJAKHIMCXHX-JTQLQIEISA-N 481.801 7.686 50 10 JKGE Fc1ccc([C@@H](Br)c2ccc(F)c(Br)c2F)cc1Br 691637527 WKUJNORSHNFSPG-LLVKDONJSA-N 458.897 6.113 50 10 JKGE COc1cc([C@@H](Br)c2occc2Br)c(OC)cc1Br 696528460 OUESKDWNXXGRJI-GFCCVEGCSA-N 454.940 5.306 50 10 JKGE Cc1ccnc2c1nc([C@@H](C)Cl)n2CC1(N(Cc2ccccc2)Cc2ccccc2)COC1 705781902 FLISWTHMMFVPTA-OAQYLSRUSA-N 461.009 5.511 50 10 JKGE FC(F)(F)c1cccc(Cl)c1[C@H](Br)c1cc(Cl)c(Br)s1 712581394 RJKYIKFQQFEZIY-SNVBAGLBSA-N 468.947 7.321 50 10 JKGE COc1ccc([C@@H](Br)c2ccc(I)c(Br)c2)c(F)c1 721617785 YMUYQTPTRGNZSN-AWEZNQCLSA-N 499.943 5.686 50 10 JKGE CC(=NNC(=O)CN(c1cc(Cl)cc(Cl)c1)S(=O)(=O)c1ccc(C)cc1)c1ccccc1 1083891800 GQMHQICEAMIXAR-UHFFFAOYSA-N 490.412 5.038 50 10 JKGE CCOc1ccc(C(=O)NN=Cc2cc(Cl)ccc2OCc2ccc(Cl)cc2Cl)cc1 1084146372 XZLNTHQULNTDMU-UHFFFAOYSA-N 477.775 6.388 50 10 JKGE CCOc1cc(C=NNC(=O)c2cc3ccccc3o2)cc(Cl)c1OCc1ccc(C(=O)O)cc1 1084243978 SKGHCDCNFNBSKM-UHFFFAOYSA-N 492.915 5.526 50 10 JKGE O=C(NN=Cc1ccccc1OCc1cccc([N+](=O)[O-])c1)c1cc2cc(Br)ccc2o1 1084465869 DVKQTERHVORNMR-UHFFFAOYSA-N 494.301 5.446 50 10 JKGE Cc1c(C(=O)O)cccc1-n1c(C)cc(/C=C(\C#N)C(=O)Nc2cccc(Cl)c2Cl)c1C 1084491734 FXWXPBMPZYXZBA-GZTJUZNOSA-N 468.340 5.953 50 10 JKGE C=CCn1c(CNc2ccccc2)nnc1S[C@H](C)C(=O)NN=C(C)C12CC3CC(CC(C3)C1)C2 1084542791 XSXBOIQQKFHFTP-PYMPDBRZSA-N 492.693 5.265 50 10 JKGE CC(C)(C)c1ccc([C@@H]2CN(C(=O)OCc3ccccc3)C[C@H]2CI)cc1 1614810742 MEXSXMSCAXZUDQ-CTNGQTDRSA-N 477.386 5.771 50 10 JKGE COc1cccc(C(=O)NN=C2CCCc3oc(C(=O)Nc4cccc(Cl)c4Cl)c(C)c32)c1 1772749622 NPIBAOSSMDRKFE-UHFFFAOYSA-N 486.355 5.626 50 10 JKGE CCCCOc1ccc(C=NNC(=O)COc2ccc(-c3ccccc3)cc2Br)cc1 1772754043 BGPVKZNNNQYVPV-UHFFFAOYSA-N 481.390 5.824 50 10 JKGE CCCc1nn(-c2cccc(Cl)c2)c2c1[C@H](c1c(OC)ccc3ccccc13)C(C#N)=C(N)O2 1865688156 LKCPUPOLWYGEJU-DEOSSOPVSA-N 470.960 5.858 50 10 JKGE CCOc1ccc([C@H]2C(C#N)=C(N)Oc3c2c(-c2ccc(OC)cc2)nn3-c2ccc(OC)cc2)cc1 1865692619 DJWOBIAMSQBEDZ-VWLOTQADSA-N 494.551 5.173 50 10 JKGE CCCc1nn(-c2ccc(Cl)c(Cl)c2)c2c1[C@@H](c1ccc(OCC)cc1)C(C#N)=C(N)O2 1865694410 UUYYQBUSDMNSLN-NRFANRHFSA-N 469.372 5.748 50 10 JKGE Cc1nn(-c2ccccn2)c2c1[C@H](c1ccc(OCc3ccc(Cl)cc3)cc1)C(C#N)=C(N)O2 1865695514 PDDBUOGDLMHPET-XMMPIXPASA-N 469.932 5.026 50 10 JKGE CCCc1nn(-c2cccc(Cl)c2)c2c1[C@@H](c1cc(Br)ccc1F)C(C#N)=C(N)O2 1865701704 CGBVVUYELHVBPQ-IBGZPJMESA-N 487.760 5.598 50 10 JKGE N#CC1=C(N)Oc2c(c(C(F)(F)F)nn2Cc2ccc(Cl)cc2)[C@H]1c1ccc(F)cc1F 1865701844 GPRAJXUEEPFGEX-INIZCTEOSA-N 466.797 5.100 50 10 JKGE COc1ccc(-c2nn(Cc3ccc(Cl)cc3)c3c2[C@H](c2ccc(F)cc2)C(C#N)=C(N)O3)cc1 1865707592 AQTWOVNDUFUMRL-HSZRJFAPSA-N 486.934 5.618 50 10 JKGE COc1ccc(-c2nn(Cc3ccccc3Cl)c3c2[C@@H](c2ccccc2O)C(C#N)=C(N)O3)cc1 1865708203 QNMGQOWORHKNOR-QHCPKHFHSA-N 484.943 5.184 50 10 JKGE COc1cccc(/C=C(\C#N)c2nc3ccccc3n2C)c1OCc1c(Cl)cccc1Cl 1872726743 FEOPTGHMSOSGPR-GHRIWEEISA-N 464.352 6.532 50 10 JKGE CCc1ccc(-c2csc(/C(C#N)=C(\O)c3ccc4c(c3)C(=O)N([C@H](C)CC)C4=O)n2)cc1 1872744058 FWXFPMVQTLNCDY-GJGNJIHCSA-N 457.555 5.717 50 10 JKGE CCCCc1ccc(-c2csc(/C(C#N)=C(\O)COc3ccc(C)cc3C(C)(C)C)n2)cc1 1872744843 KSENTWVIFCRXKE-LVWGJNHUSA-N 460.643 7.630 50 10 JKGE COc1ccc(-c2csc(/C(C#N)=C(\O)[C@@H](C)Oc3ccc(C(C)C)cc3)n2)cc1OC 1872745325 HQCGJEQTKYGRFQ-UVPKWBSNSA-N 450.560 6.211 50 10 JKGE CCCOc1ccc(-c2csc(/C(C#N)=C(\O)CCN3C(=O)c4ccccc4C3=O)n2)cc1 1872749247 IGDOSWIZGWGGPD-XDOYNYLZSA-N 459.527 5.078 50 10 JKGE CCOc1cc(/C(O)=C(\C#N)c2nc(-c3ccc(OC)c(F)c3)cs2)cc(OCC)c1OCC 1872752672 NLAGRUGRGPIGMM-QJOMJCCJSA-N 484.549 6.104 50 10 JKGE CC[C@@H](C)[C@@H](/C(O)=C(\C#N)c1nc(-c2ccc(F)cc2)cs1)N1C(=O)c2ccccc2C1=O 1872753188 LFBBLLMJLNCFND-UDGWVDNDSA-N 461.518 5.453 50 10 JKGE Cc1cc(C)c(C)c(-c2csc(/C(C#N)=C(\O)[C@H](C(C)C)N3C(=O)c4ccccc4C3=O)n2)c1C 1872754258 KIPMIJNYTOVOEG-OQICMLARSA-N 485.609 6.157 50 10 JKGE CCOc1ccc(-c2csc(/C(C#N)=C(\O)[C@H](C)Oc3ccccc3C(C)C)n2)c(OCC)c1 1872755293 HHKDFMWCNVQFNE-ZZNYDNHMSA-N 478.614 6.991 50 10 JKGE CCOc1cc(/C=C(\C#N)c2nc(-c3c(C)cc(C)cc3C)cs2)ccc1OCc1ccccc1C 1872793989 DTGQGBQQCLGNMH-CVKSISIWSA-N 494.660 8.086 50 10 JKGE Clc1c(Br)sc(Br)c1[C@H](Br)[C@@H]1[C@@H]2CCO[C@@H]21 1895480482 IPAFPAWJWHUXOX-QXCXTELSSA-N 451.405 5.397 50 10 JKGE C[C@@H]1CC[C@H]([C@H](Br)c2c(Br)sc(Br)c2Br)O1 1897064415 AIJAFJKADDKQHC-XAHCXIQSSA-N 497.872 6.039 50 10 JKGE C[C@@H](Br)CN(Cc1ccccc1)C(=O)c1scc(Br)c1Br 1914646659 RTNZTJJKJDWXKZ-SNVBAGLBSA-N 496.062 5.699 50 10 JKGE Fc1cc(Br)ccc1[C@H](Cl)c1sc(Br)cc1Br 1922943718 WPHVXSRPKCCASP-JTQLQIEISA-N 463.391 6.503 50 10 JKGE Cc1c(Br)sc([C@H](Br)CC2CCCCCC2)c1Br 1922947196 ZKPSOXQNQQGDGF-LLVKDONJSA-N 459.085 7.378 50 10 JKGE Clc1c(Br)sc(Br)c1[C@@H](Br)C1CC2(CCC2)C1 1923039708 QEOFJMXHSILNRW-QMMMGPOBSA-N 463.460 6.943 50 10 JKGE CC(C)C[C@@H]1C[C@H]1[C@@H](Br)c1c(Br)sc(Br)c1Cl 1923047764 CXGNYFVLUVQXOH-ZXFLCMHBSA-N 465.476 7.045 50 10 JKGE C[C@H]([C@@H]1CCCO1)[C@H](Br)c1c(Br)sc(Br)c1Cl 1923066874 WDVNOQGPCUZEBS-CHKWXVPMSA-N 467.448 6.178 50 10 JKGE Cl[C@H](c1c(Br)sc(Br)c1Br)[C@@H]1CC[C@@H]2C[C@@H]2C1 1924614670 PZPUOCMOBXXHGB-IBNKKVAHSA-N 463.460 6.752 50 10 JKGE COc1sc([C@H](Cl)c2cccc(Br)c2Br)cc1Br 2034639871 YSFJOJWBJOMOMY-LLVKDONJSA-N 475.427 6.372 50 10 JKGE F[C@@H](SS[C@@H](F)C(F)(F)C(F)(F)C(F)(F)F)C(F)(F)C(F)(F)C(F)(F)F 2069406940 OMMVVQOARIQSJQ-XIXRPRMCSA-N 466.206 6.625 50 10 JKGE Brc1cc([C@H](Br)[C@@H]2C[C@H]2C2CCOCC2)c(Br)s1 2079392737 MEPVTLLRNAPMJT-YGOYTEALSA-N 459.041 5.772 50 10 JKGE Cc1ccc(CO[C@]2(CI)CCCN(C(=O)OC(C)(C)C)C2)cc1C 2083844710 VXXLSPRTEKACJT-FQEVSTJZSA-N 459.368 5.025 50 10 JKGE BrCC[C@H]1CCCN(Cc2c(Br)cccc2Br)CC1 2094092447 FZAKQDOVJDIEII-GFCCVEGCSA-N 454.044 5.599 50 10 JKGE Clc1ccc(C[C@@H](CBr)c2cccc(Br)c2)cc1Br 2110527101 WQJVWHSGXUSBRJ-LBPRGKRZSA-N 467.426 6.586 50 10 JKGE Brc1cnc(N2CCC[C@@H]3CC[C@@H](Br)C[C@@H]32)c(Br)c1 2110684869 CDXNSKWBADPTPM-BREBYQMCSA-N 453.016 5.139 50 10 JKGE Cc1ccc([C@H](Br)c2nn(C)c(Br)c2C)c(C)c1Br 2111933483 QMRQLQXQXQIHGH-LBPRGKRZSA-N 451.000 5.355 50 10 JKGE Clc1ccc(CC[C@H](Br)c2cccc(Br)c2)cc1Br 2113448733 DIVKPWCVOVYXRW-ZDUSSCGKSA-N 467.426 6.934 50 10 JKGE Fc1cc(Br)cc(Oc2cc(Br)cc(F)c2CBr)c1 2114264097 JBIXAZGRYGVYLN-UHFFFAOYSA-N 456.906 6.177 50 10 JKGE Cc1cc(S(=O)(=O)N(Cc2ccccc2)[C@H](C)c2cccs2)sc1CBr 2123243945 QBHVGYQGSJHXSF-OAHLLOKOSA-N 470.479 5.965 50 10 JKGE Cc1nsc(Br)c1[C@@H](Br)c1c(Br)cc(F)c(Cl)c1F 2136960914 HOWKNIFFCYZAJA-MRVPVSSYSA-N 496.396 6.392 50 10 JKGE CCc1nn(C)c([C@@H](Br)c2c(Br)sc(C)c2C)c1Br 2138258581 RFNVAIKQEDJWQS-NSHDSACASA-N 471.056 5.670 50 10 JKGE Cc1c(Br)ccc([C@@H](Br)C2(C(C)(F)F)CCC2)c1Br 2138849318 IVYCFEJUHNLGLP-GFCCVEGCSA-N 460.982 6.782 50 10 JKGE Cc1c(Br)ccc([C@H](Cl)c2cccc(F)c2Br)c1Br 2138863919 NKIFGYJKIAONEM-CQSZACIVSA-N 471.389 6.750 50 10 JKGE C[C@@H](CBr)[C@H]1CCCCN1Cc1ccc(I)c(Cl)c1 2142949259 HVHPOAVWHPLHDY-XHDPSFHLSA-N 456.593 5.330 50 10 JKGE COc1cc(Br)c(C)cc1[C@H](Br)c1cc(Br)ccc1Cl 2145954237 CGJKTQXTSXSHHN-OAHLLOKOSA-N 483.425 6.666 50 10 JKGE COc1ccc(C[C@H](Br)c2csc(Br)c2Br)cc1OC 2150342902 ZWFPUGBNRIIJPD-JTQLQIEISA-N 485.035 5.969 50 10 JKGE O=C(NCc1cccc(CBr)c1)c1c(Br)cccc1Br 2150489647 COUXAOFEIUWZAX-UHFFFAOYSA-N 461.979 5.037 50 10 JKGE Fc1c(F)c(F)c([C@H](Br)c2sc(Cl)cc2Br)c(F)c1F 2154476464 XCYDLYNGHQHHOD-YFKPBYRVSA-N 456.455 6.344 50 10 JKGE FC(F)(F)[C@H]1CN(Cc2c(Br)cccc2Br)C[C@@H]1CBr 2163289095 LJYHNFKKRBQAPL-WPRPVWTQSA-N 479.960 5.217 50 10 JKGE Clc1ccc(C[C@H](CBr)Cc2cccc(Br)c2)cc1Br 2166823272 MZSVJYWEGDPHLW-CYBMUJFWSA-N 481.453 6.661 50 10 JKGE FC(F)(F)[C@]1(CBr)CCN(Cc2cc(Cl)ccc2I)C1 2167685944 NDRGJOJWRLXERD-LBPRGKRZSA-N 482.509 5.094 50 10 JKGE Fc1cc(Br)c(Br)cc1[C@@H](Cl)c1cccc(OCc2ccccc2)c1 2218597425 MATJFTOLEAHXDB-FQEVSTJZSA-N 484.590 7.258 50 10 JKGE Brc1c([C@@H](Br)c2csc(I)c2)ccc2c1CCO2 2222187465 BQGUKJBBFFUAQT-LBPRGKRZSA-N 499.993 5.534 50 10 JKGE CC(C)(C[C@@H](Br)c1cc(Br)c(Br)cc1F)C(F)(F)F 2225615946 BGVFFPIWKNQJEG-SECBINFHSA-N 470.924 6.765 50 10 JKGE CCC1CCC([C@H](Br)c2cc(Br)c(Br)cc2F)CC1 2225618323 WNHDTEMHKCUTKJ-HEEBCNDISA-N 457.019 7.003 50 10 JKGE COc1cc(Br)c([C@H](Br)c2cc(Br)c(C)s2)cc1C 2227723657 JVGBMQBCEFRTSG-AWEZNQCLSA-N 469.036 6.383 50 10 JKGE Cc1cccc([C@H](Br)c2c(Br)cc(Cl)c(Cl)c2Cl)c1C 2232515191 XSANYIQZBJOEDU-ZDUSSCGKSA-N 457.420 7.510 50 10 JKGE Fc1cc(F)c([C@H](Br)c2cc(Br)ccc2Cl)c(F)c1Br 2236108180 IWUYPKWOKWIISN-LLVKDONJSA-N 493.342 6.767 50 10 JKGE FC(F)(F)Oc1ccc(Cl)cc1[C@H](Br)c1ncsc1Br 2239621344 ZHILGDSTVTZGJI-QMMMGPOBSA-N 451.489 5.942 50 10 JKGE CC(C)CCCCCO[C@]1(CI)CCCN(C(=O)OC(C)(C)C)C1 2248811944 NLHWWBIESQNDNC-IBGZPJMESA-N 453.405 5.424 50 10 JKGE COc1cc([C@@H](Br)c2cc(Br)co2)c(OC)cc1Br 2270465009 SPHPFXIZRCZTNZ-CYBMUJFWSA-N 454.940 5.306 50 10 JKGE C[C@@H]1C[C@H]([C@@H](Br)c2c(F)cc(Br)c(F)c2Br)[C@@H](C)O1 2272739566 MURJHJFOHPDDCQ-FHZUQPTBSA-N 462.954 5.739 50 10 JKGE Fc1cccc(Br)c1COc1ccc(Br)c(CBr)c1 2274026233 NQHDDJQVFJVFSK-UHFFFAOYSA-N 452.943 5.825 50 10 JKGE CC(C)c1cc(Br)cc([C@@H](Br)Cc2ccc(Br)cc2)c1 2280720905 UWCWGXDCDLVXDP-KRWDZBQOSA-N 461.035 7.014 50 10 JKGE Cc1cc(Br)c([C@H](Br)[C@@H]2CC(F)(F)C23CCC3)cc1Br 2280865213 PBJWFHJOEMWLDS-GWCFXTLKSA-N 472.993 6.782 50 10 JKGE COc1cc(F)c(Cl)cc1[C@@H](Br)c1ccc(Cl)c(I)c1 2283583437 NGIFKNBFBNRDRK-AWEZNQCLSA-N 489.937 6.230 50 10 JKGE CC1(C)CCC[C@@]1(CBr)NC(=O)c1ccc(Cl)c(I)c1 2283652303 SPAOBXLKGHGJOO-HNNXBMFYSA-N 470.576 5.018 50 10 JKGE Cc1ccc(NC(=O)C(C#N)=Cc2cc(Cl)cc(Cl)c2OCCOc2ccc(C)cc2C)cc1 2293559194 MPWXADUJUYEGST-UHFFFAOYSA-N 495.406 6.922 50 10 JKGE N#CC(=Cc1ccc(-c2ccc([N+](=O)[O-])cc2)o1)C(=O)Nc1cc(C(F)(F)F)ccc1Cl 2295187836 ZORZYOGBZLKHQZ-UHFFFAOYSA-N 461.783 6.073 50 10 JKGE Cc1cc([C@H](Br)c2ccc(OCc3ccccc3)cc2Br)oc1C 2299491660 AIVAUFIAYWQASF-HXUWFJFHSA-N 450.170 6.722 50 10 JKGE CCN(C[C@](C)(CI)O[C@H]1CCCC2(CC2)C1)C(=O)OC(C)(C)C 2302707368 QMLDAUIHIRTFRY-YJBOKZPZSA-N 451.389 5.177 50 10 JKGE Brc1cc(OCc2ccccc2)ccc1[C@H](Br)[C@@H]1OC[C@@H]2CCC[C@@H]21 2314444291 MZJGFFYMYLWURQ-STRKUORWSA-N 466.213 6.279 50 10 JKGE Cc1ccccc1C[C@H]1SC(=C(C#N)C(=O)NCc2ccco2)N(c2ccc(C(C)C)cc2)C1=O 2314593006 FSDPLMFLHIXCFE-RUZDIDTESA-N 485.609 5.454 50 10 JKGE CC[C@H](C)N1C(=O)C(=Cc2ccc(OCc3ccc(Cl)cc3)c(OC)c2)C(C)=C(C#N)C1=O 2314611524 WFRXRNABJRJEAX-INIZCTEOSA-N 464.949 5.318 50 10 JKGE Clc1cc([C@H](Br)c2cnsc2Br)c(Cl)c(Cl)c1Cl 2315622155 UKBFZUJMMPFPNW-LURJTMIESA-N 470.828 7.004 50 10 JKGE Cc1c([N+](=O)[O-])cc(C(O)=C(C#N)c2nc(-c3ccc(-c4ccccc4)cc3)cs2)cc1[N+](=O)[O-] 2331232245 BFFHPRDHFUEBOU-UHFFFAOYSA-N 484.493 6.552 50 10 JKGE N#CC(=C(O)Cc1cc(Cl)ccc1Cl)c1nc(-c2cccc(Br)c2)cs1 2331276629 YJCKAQMJEMFMIE-UHFFFAOYSA-N 466.187 6.915 50 10 JKGE Cc1ccc(-c2csc(C(C#N)=C(O)[C@H](Cc3ccccc3)N3C(=O)c4ccccc4C3=O)n2)cc1 2331313347 GJDFXLOCENLNIM-VWLOTQADSA-N 491.572 5.819 50 10 JKGE Cc1cc(-c2csc(C(C#N)=C(O)Cc3ccc(OCc4ccccc4)cc3)n2)ccc1F 2331320112 PAIALMWUMCCTMN-UHFFFAOYSA-N 456.542 6.872 50 10 JKGE COc1c(Cl)cc(Cl)cc1-c1csc(C(C#N)=C(O)c2cc([N+](=O)[O-])cc([N+](=O)[O-])c2)n1 2331364174 NEHAJASISWOUKJ-UHFFFAOYSA-N 493.284 5.892 50 10 JKGE N#CC(=Cc1cc(Br)ccc1F)c1nc(-c2ccc(Cl)c(Cl)c2)cs1 2331443992 WGWDCICPIHBPPI-UHFFFAOYSA-N 454.151 7.083 50 10 JKGE COc1cccc(C=C(C#N)c2nc(-c3cccc4ccccc34)cs2)c1OCc1cccc(C)c1 2331456846 MLHIGOJYDOFGKR-UHFFFAOYSA-N 488.612 7.924 50 10 JKGE Cc1c(Br)sc([C@@H](Br)[C@@H]2OCC[C@H]2C(F)(F)F)c1Br 2333952461 HBGWPINNZHFOJN-MHSYXAOVSA-N 486.973 5.985 50 10 JKGE C[C@H]1CN(Cc2ccc(Cl)c(I)c2)CC[C@H]1CCBr 2337228365 WGJPFVJZRPXFCO-WCQYABFASA-N 456.593 5.188 50 10 JKGE C[C@@](CBr)(Cc1ccc(Cl)c(I)c1)C1CCCCC1 2337228652 ZLVDVAQAFKLLEX-INIZCTEOSA-N 455.605 6.469 50 10 JKGE Clc1cc(I)c([C@H](Br)[C@H]2CC3(CCCCC3)CO2)s1 2338779667 XZPWJUPPFQAXOA-ZYHUDNBSSA-N 475.617 6.182 50 10 JKGE COc1cc(Br)c(OC[C@@H](CBr)CC(C)C)cc1Br 2353853335 ZLJLVJVUJDVYQN-SNVBAGLBSA-N 459.016 5.656 50 10 JKGE Fc1c(Br)cc(Cl)c([C@@H](Cl)c2cc(Cl)ccc2Cl)c1Br 2362224353 LDNMXCQQQKQQHO-LBPRGKRZSA-N 481.801 7.639 50 10 JKGE Fc1c(Br)cc(Cl)c([C@H](Br)[C@@H]2CC3(CCC3)CO2)c1Br 2362236985 QYDLTAZTKPTCMY-GXSJLCMTSA-N 491.420 6.399 50 10 JKGE COc1c(F)c(F)cc([C@@H](Cl)c2sc(Cl)cc2I)c1F 2363885096 KSZQJGIHRCYFPR-MRVPVSSYSA-N 453.050 5.760 50 10 JKGE FC1(F)[C@H]2CCC[C@@H]1C[C@@H]([C@H](Cl)c1sc(Cl)cc1I)C2 2364120727 ZKNSXMRNLOXDPV-UOKLYIGXSA-N 451.147 6.748 50 10 JKGE Cc1cc(Br)c(F)c(Br)c1[C@@H](Br)Cc1ccc(Cl)cc1 2365215702 MTRPLBCYCZTDAF-NSHDSACASA-N 485.416 6.991 50 10 JKGE N#CC1=C(N)N2C(=C(C#N)[C@@H]1c1ccc(-c3ccc(Cl)cc3Cl)o1)Sc1ccccc12 2422630 QRPUNVUYQLDGCG-OAQYLSRUSA-N 463.349 6.392 50 10 JKGE COc1ccc([C@@H]2C(C#N)=C3N=C(N)c4ccccc4N3C3=C2C(=O)C[C@@H](c2ccccc2)C3)cc1 3654379 TZPBTYBMBLUITM-CCLHPLFOSA-N 472.548 5.154 50 10 JKGE O=C(N/N=C\c1cn(Cc2ccc([N+](=O)[O-])cc2)c2ccccc12)c1cc2c(ccc3ccccc32)o1 8437784 OZKRQEMZZJMMBY-UHBFCERESA-N 488.503 6.261 50 10 JKGE COc1ccc(/C(C#N)=C\c2ccc(OC(=O)c3ccc(Cl)c(Cl)c3)cc2)cc1OC 31900935 GARBSADOHLTGGY-WQRHYEAKSA-N 454.309 6.294 50 10 JKGE COc1cc(/C=C(/C#N)c2ccccc2OC)ccc1OC(=O)[C@H](C)Oc1ccc(Cl)cc1Cl 31901998 KIGRZOPDZVIHGE-JIHKLPAASA-N 498.362 6.448 50 10 JKGE CCOC(=O)c1ccc(-n2c(C)cc(/C=C(/C#N)C(=O)Nc3ccc([N+](=O)[O-])cc3C)c2C)cc1 33411472 CBUGUNDHNJMVTL-STZFKDTASA-N 472.501 5.033 50 10 JKGE COc1ccc(OC)c(NC(=O)/C(C#N)=C\c2cn(Cc3ccc(Cl)cc3)nc2-c2ccccc2)c1 35003474 XLWCWHNPZFMPLG-STZFKDTASA-N 498.970 5.815 50 10 JKGE CCOc1ccc(NC(=O)/C(C#N)=C/c2cn(-c3ccccc3)nc2-c2cc3ccccc3o2)cc1 35374688 RRQWKYVQCFVWCU-LTGZKZEYSA-N 474.520 6.230 50 10 JKGE CCNC(=O)/C(C#N)=C\c1cn(-c2ccccc2)nc1-c1cccc(OCc2ccc(F)cc2)c1 35446056 ASOMAECBEIQSOM-JCMHNJIXSA-N 466.516 5.300 50 10 JKGE CCCCCCN1C(=O)C(C#N)=C(C)/C(=C\c2ccc(OCc3ccccc3)c(OCC)c2)C1=O 38604193 FSOURBLRWLDQFS-JJIBRWJFSA-N 472.585 5.837 50 10 JKGE N#CC(C#N)=Cc1ccc(OC(=O)COc2ccc(-c3ccccc3)cc2Br)cc1 40988091 SKVCQQCZWKRGSQ-UHFFFAOYSA-N 459.299 5.531 50 10 JKGE CCc1sc(NC(=O)/C(C#N)=C/c2ccc(OC)cc2)nc1-c1ccc(Br)cc1 41013113 DNUYPEGMPQWYRK-FOWTUZBSSA-N 468.376 5.689 50 10 JKGE CC[C@H](CBr)COc1c(Br)cc(Br)cc1Br 96869902 JSDNQZROYRAZKV-SSDOTTSWSA-N 479.832 5.774 50 10 JKGE Cc1ccc(N2C(=O)[C@@H](Cc3ccc(F)cc3)S/C2=C(/C#N)C(=O)NCc2ccccc2)cc1C 101241333 XALBWJIPMVLYHG-IEQIIXMPSA-N 485.584 5.185 50 10 JKGE CCOc1cc(/C=C(/C#N)C(=O)Nc2nc3ccccc3s2)ccc1OCc1ccccc1F 102443933 YNDPFAZTVMBJML-UYRXBGFRSA-N 473.529 5.959 50 10 JKGE CCCCCCCCCCOc1ccc(C(=O)N/N=C/c2cc(Cl)cc(Cl)c2O)cc1 103736111 GONNZGJQLOKJLK-WPWMEQJKSA-N 465.421 6.982 50 10 JKGE CC(C)c1ccc([C@@H](Br)c2ccc(I)cc2)c(C(C)C)c1 109857006 XMMFLZCULYSRKL-IBGZPJMESA-N 457.193 7.022 50 10 JKGE COc1cc(Br)c([C@@H](Br)c2cccc(Br)c2C)cc1OC 115983543 QCSIXVWFURWWJZ-INIZCTEOSA-N 479.006 6.022 50 10 JKGE Cc1cc([C@H](Br)c2cc3c(cc2Cl)OCCCO3)sc1Br 123419475 HGMVUHAFKOZOQK-CQSZACIVSA-N 452.595 6.118 50 10 JKGE Fc1cc(Br)cc(COc2ccc(Br)cc2CBr)c1 124808365 TVOMIGUTVDTNJJ-UHFFFAOYSA-N 452.943 5.825 50 10 JKGE CC[C@H](C)[C@H](c1ccccc1)[C@H](Br)c1cc(Br)c(Br)s1 128292224 VDHCSWNQRBONNU-COLVAYQJSA-N 481.091 7.539 50 10 JKGE CCCOc1ccccc1/C=C(/C#N)C(=O)Nc1sc2c(c1C(=O)OCC)CC[C@@H](C(C)(C)C)C2 206987333 XTLXLJQECFHJGR-RMWKRFJVSA-N 494.657 6.410 50 10 JKGE Cc1ccc(S(=O)(=O)/C(C#N)=C\c2cn(-c3ccccc3)nc2-c2ccc(F)cc2)cc1C 210035387 QZXJFGJZLIBDPP-MYYYXRDXSA-N 457.530 5.634 50 10 JKGE N#C/C(=C/Nc1ccc(Cl)c([N+](=O)[O-])c1)C(=O)Nc1ccccc1Sc1ccccc1 217243483 RQRCYDUJXSHGBU-PFONDFGASA-N 450.907 5.857 50 10 JKGE Cc1ccc2nc(-c3ccc(N/C=C(/C#N)C(=O)N4CCN(Cc5ccccc5)CC4)cc3)sc2c1 217257557 WRWNRAVQENTSCN-CLCOLTQESA-N 493.636 5.436 50 10 JKGE CC(C)Cc1ccc([C@H](Br)c2cc(Cl)ccc2I)cc1 232619221 DLTYJPLBKDLZFN-KRWDZBQOSA-N 463.584 6.627 50 10 JKGE Cc1cccc([C@@H](Br)c2cc(Br)ccc2Br)c1Br 235927749 AOWCHYRMDPZRCX-CQSZACIVSA-N 497.850 6.767 50 10 JKGE Clc1cccc(C[C@H](Cl)c2cc(Br)ccc2I)c1 236020120 ZZDIROIXXXXFRJ-ZDUSSCGKSA-N 455.948 6.230 50 10 JKGE Cc1cccc(N[C@H](C)C(=O)NN=Cc2ccccc2OCc2cccc(Br)c2)c1 251078638 URDIVACAIISANU-GOSISDBHSA-N 466.379 5.287 50 10 JKGE Cc1ccccc1C[C@@H](C(=O)NN=Cc1ccc(-c2ccc(Br)cc2)o1)c1ccccc1 254683131 PYYRACMBLZPVJL-RUZDIDTESA-N 487.397 6.494 50 10 JKGE Cc1ccccc1C[C@H](C(=O)NN=Cc1ccc(-c2ccc(Br)cc2)o1)c1ccccc1 254683134 PYYRACMBLZPVJL-VWLOTQADSA-N 487.397 6.494 50 10 JKGE Cc1cc(C)cc(OCC(=O)NN=Cc2cc(N=Nc3cccc4ccccc34)ccc2O)c1 254733784 DCXGBSZQEIJWIU-UHFFFAOYSA-N 452.514 6.107 50 10 JKGE CCOc1cc(C=NNC(=O)Nc2ccccc2)ccc1OCCOc1ccc([C@@H](C)CC)cc1 254871512 ZIVUPNJAOQIVSQ-NRFANRHFSA-N 475.589 6.212 50 10 JKGE O=C(CSc1nnc(-c2ccccc2)s1)NN=Cc1ccc(OCc2ccc(Cl)cc2)cc1 256028511 RBAWUWZUJZJOTF-UHFFFAOYSA-N 495.029 5.680 50 10 JKGE Brc1cc2c(c([C@H](Br)c3sccc3I)c1)OCC2 311243830 YYSNSJZAIPXADL-NSHDSACASA-N 499.993 5.534 50 10 JKGE CC1CCC(CC(CBr)(CBr)c2ccccc2Br)CC1 312301384 AZAGEOILMULUOJ-UHFFFAOYSA-N 467.083 6.693 50 10 JKGE C[C@@H](Br)C[C@@H]1CCCCN1C(=O)c1cc(Cl)ccc1I 312342870 GVMZMECAGQZUGC-PWSUYJOCSA-N 470.576 5.113 50 10 JKGE CC(C)(C)[Si](C)(C)OCc1cccc([C@@H]2CCCCN(S(=O)(=O)c3ccccc3)C2)c1 616604514 FBTGONWEAWLENH-HSZRJFAPSA-N 459.728 6.167 50 10 JKGE CC(C)(C)[Si](C)(C)OCc1cccc([C@H]2CN(S(=O)(=O)c3ccccc3)CCCO2)c1 616659514 OFKZLYUKJYBDPE-HSZRJFAPSA-N 461.700 5.361 50 10 JKGE COc1ccc(Oc2cc(Br)ccc2CBr)cc1I 712919333 KWAUUIAPDBVVPJ-UHFFFAOYSA-N 497.952 5.750 50 10 JKGE FC(F)(F)c1cscc1[C@H](Br)c1cc(Br)sc1Br 717211057 HXWDQYYOXTXMDZ-MRVPVSSYSA-N 484.982 6.838 50 10 JKGE CCc1ccc(CC)c([C@@H](Cl)c2ccc(I)c(Br)c2)c1 721572467 LCUUDCBHGCNMOU-KRWDZBQOSA-N 463.584 6.507 50 10 JKGE O=C(Nc1nccs1)[C@@H](c1cccs1)N(C(=O)CCl)c1cccc(C(F)(F)F)c1 725237752 MXUSTERYRNOOHX-OAHLLOKOSA-N 459.902 5.175 50 10 JKGE Cc1c(Cl)cccc1NC(=O)CCC(=O)NN=C(/C=C\c1ccccc1)/C=C/c1ccccc1 725440464 XNJRZIKVQMMOBB-YJTRZXKBSA-N 471.988 6.266 50 10 JKGE COc1cc(/C=C(/C#N)C(=O)Nc2ccc(C)c(C)c2)c([N+](=O)[O-])cc1OCc1ccccc1 1084434221 ARPIEQKYQZNKBH-MTJSOVHGSA-N 457.486 5.345 50 10 JKGE O=C(OCc1ccccc1)N1C[C@@H](CI)[C@@H](c2cccc(C(F)(F)F)c2)C1 1614811943 QYHYQMVBALMLLB-SJLPKXTDSA-N 489.275 5.493 50 10 JKGE COc1ccc(C(=O)NN=C2CCCc3oc(C(=O)Oc4cccc5ccccc45)c(C)c32)cc1 1772746170 RRPSBPMZGBMSEH-UHFFFAOYSA-N 468.509 5.439 50 10 JKGE Cc1c(C(=O)Oc2ccc3ccccc3c2)oc2c1C(=NNC(=O)Cc1ccccc1)CCC2 1772748670 MSMSZBPYRBJIIB-UHFFFAOYSA-N 452.510 5.360 50 10 JKGE COc1cc(C=NNC(=O)[C@H](C)Oc2ccc(-c3ccccc3)cc2)ccc1OCc1ccccc1C 1772755938 VGEXUCBYZDACDA-QHCPKHFHSA-N 494.591 6.167 50 10 JKGE CCCn1nc(-c2ccc(OC)cc2)c2c1OC(N)=C(C#N)[C@H]2c1c(Cl)cccc1Cl 1865686099 QSIRFTHPAIHDIU-SFHVURJKSA-N 455.345 5.494 50 10 JKGE COc1ccc2ccccc2c1[C@@H]1C(C#N)=C(N)Oc2c1c(C(F)(F)F)nn2-c1ccccc1 1865688494 TZEYYYQKWCXSJH-FQEVSTJZSA-N 462.431 5.271 50 10 JKGE COc1ccc(OC)c([C@H]2C(C#N)=C(N)Oc3c2c(-c2ccccc2)nn3Cc2cccc(Cl)c2)c1 1865691866 CTLOAUSSJVQWNR-DEOSSOPVSA-N 498.970 5.487 50 10 JKGE CCCCOc1ccc([C@@H]2C(C#N)=C(N)Oc3c2c(CC)nn3-c2cccc3ccccc23)cc1OC 1865697104 NJXXESAYSHYSRG-HHHXNRCGSA-N 494.595 5.994 50 10 JKGE CCCCOc1ccc([C@H]2C(C#N)=C(N)Oc3c2c(CC)nn3Cc2ccccc2F)cc1OC 1865697646 YRDCCDNGOZLUMM-DEOSSOPVSA-N 476.552 5.039 50 10 JKGE COc1ccc(-c2nn(-c3ccccc3Cl)c3c2[C@H](c2sccc2C)C(C#N)=C(N)O3)cc1 1865698931 GNCSYJVQOGGEBJ-HXUWFJFHSA-N 474.973 5.789 50 10 JKGE COc1cc([C@H]2C(C#N)=C(N)Oc3c2c(-c2ccccc2)nn3Cc2cccc(Cl)c2)ccc1O 1865705773 FOMCFKKTTDFYKV-QHCPKHFHSA-N 484.943 5.184 50 10 JKGE CC[C@](C)(NC(=O)CC(c1ccc(F)cc1)c1ccc(F)cc1)C(=O)Nc1ccc(SC#N)cc1 1866756725 MACFIROMNPPGFP-MHZLTWQESA-N 493.579 5.984 50 10 JKGE CC[C@H](NC(=O)[C@@H](c1ccc(Cl)c(Cl)c1)C(C)C)C(=O)Nc1ccc(SC#N)cc1 1866992527 UMSYPZSHYNKMHU-VQTJNVASSA-N 464.418 5.840 50 10 JKGE CCC[C@@H](NC(=O)[C@@H](c1ccc(OC)cc1)C1CCCC1)C(=O)Nc1ccc(SC#N)cc1 1867011574 MZXQSJXXXRUQOJ-DNQXCXABSA-N 465.619 5.466 50 10 JKGE Cc1cc(OCc2ccc(CCl)cc2)cc2c1C(=O)/C(=C/c1ccc(Cl)c(Cl)c1)O2 1871436714 MHWYEYBPDJIRFK-YVNNLAQVSA-N 459.756 7.236 50 10 JKGE COc1cc(-c2csc(/C(C#N)=C(\O)COc3ccc(C)cc3C)n2)c(OC)cc1Cl 1872755056 WHZBELOVLMKAGO-MNDPQUGUSA-N 456.951 5.969 50 10 JKGE COc1cc(OC)c(-c2csc(/C(C#N)=C(\O)COc3cccc(C)c3C)n2)cc1Cl 1872756543 OZTRGUSXRJLAQJ-MNDPQUGUSA-N 456.951 5.969 50 10 JKGE CC(C)[C@H](/C(O)=C(\C#N)c1nc(-c2ccc(Cl)s2)cs1)N1C(=O)c2ccccc2C1=O 1872758320 UYXFVOFMOVIGHY-GXYBQNOFSA-N 469.975 5.638 50 10 JKGE CCCCCCOc1ccc(/C(O)=C(\C#N)c2nc(-c3cc(Cl)ccc3OC)cs2)cc1 1872758727 NPBSMHGIJZKRJJ-FLFQWRMESA-N 469.006 7.381 50 10 JKGE COc1cc(/C=C(\C#N)c2nc(-c3ccc(C(C)(C)C)cc3)cs2)ccc1OC(=O)c1ccccc1 1872792361 UURVNYMVHRDHJM-XQNSMLJCSA-N 494.616 7.400 50 10 JKGE C[C@@H]1C[C@H]1CC[C@H](Cl)c1c(Br)sc(Br)c1Br 1897160935 BBUSFYBYKHMMOP-QYNIQEEDSA-N 451.449 6.752 50 10 JKGE Cc1cc(Br)c([C@H](Br)C2CC3(CCCO3)C2)cc1Br 1912568849 UIBZRUFSQUOQJS-CIQACWJJSA-N 453.012 5.915 50 10 JKGE Cc1c(Br)sc([C@H](Br)C2CCCCCCC2)c1Br 1922955293 YCEGULIKDZVXQY-GFCCVEGCSA-N 459.085 7.378 50 10 JKGE Fc1c(Cl)cccc1[C@H](Cl)c1c(Br)sc(Br)c1Cl 1923041233 ZXPPLNWIDHEFSS-ZETCQYMHSA-N 453.385 7.047 50 10 JKGE C[C@@H]1COC[C@H]1[C@@H](Br)c1c(Br)sc(Br)c1Cl 1923055598 WDQQXSUNJPUTCK-WYDQCIBASA-N 453.421 5.645 50 10 JKGE Clc1c(Br)sc(Br)c1[C@@H](Br)[C@H]1CC12CCCC2 1923075288 ZIXKIXJGIARYTI-SVRRBLITSA-N 463.460 6.943 50 10 JKGE CCc1ccc([C@@H](Cl)c2c(Br)sc(Br)c2Br)o1 1924584264 VTWITOGBENWUPQ-SECBINFHSA-N 463.416 6.519 50 10 JKGE Cc1csc([C@@H](Br)c2sc(C)c(Br)c2C)c1Br 1950881452 FUUZOHKLHMKNOP-JTQLQIEISA-N 459.066 6.744 50 10 JKGE Brc1csc([C@H](Br)c2ncn3ccsc23)c1Br 2024753722 WZCAAPLFVGPRBL-SSDOTTSWSA-N 457.010 5.467 50 10 JKGE Brc1ccc(C[C@H](Br)c2c(Br)cccc2Br)cc1 2033091272 OWZDLEXNISZXSD-ZDUSSCGKSA-N 497.850 6.653 50 10 JKGE O=S(=O)(c1cc(CBr)c(Cl)cc1Cl)N(Cc1ccccc1)CC1CC1 2059289465 QXMVTOVNSKSYRT-UHFFFAOYSA-N 463.224 5.489 50 10 JKGE Brc1cc([C@@H](Br)C2CC3(C2)CC32CCC2)c(Br)s1 2064003559 ZGIFNOAFJKLBMN-PGMTZQPISA-N 455.053 6.680 50 10 JKGE FC(F)(C1CCOCC1)[C@@H](Br)c1cc(Br)c(Br)s1 2065618564 ODEXQCSTVMUMCX-VIFPVBQESA-N 468.983 5.771 50 10 JKGE FC(F)(F)c1ccc(Cn2nc(CBr)c3c2C[C@@H]2C[C@@H]32)c(Br)c1 2080759782 CMWBVGWPQJJHQJ-GXSJLCMTSA-N 450.096 5.267 50 10 JKGE CCCN(c1cc(Br)ccc1CBr)C1CCN(Cc2ccccc2)CC1 2087294219 FPICRFAFQHCFJZ-UHFFFAOYSA-N 480.288 6.225 50 10 JKGE Brc1cc([C@H](Br)c2cccc3c2CCCC3)sc1Br 2090202072 YDSQOAXECHBWBJ-CQSZACIVSA-N 465.048 6.636 50 10 JKGE Clc1cc([C@H](Cl)c2cc(C3CC3)c(Br)s2)ccc1I 2094672742 CFFJXFJNNIHPBN-ZDUSSCGKSA-N 488.015 6.974 50 10 JKGE Brc1cc2c(c([C@H](Br)c3cscc3OCc3ccccc3)c1)OCCC2 2100094664 VFLCARHOPJSJLT-FQEVSTJZSA-N 494.248 6.899 50 10 JKGE O=C(c1cc(Br)c(Br)s1)N1[C@H](CBr)C[C@@H]2CCC[C@@H]21 2108397282 RAZDPQKXXVSTOK-NRPADANISA-N 472.040 5.051 50 10 JKGE Cc1cc(Br)c(F)c(C[C@@H](Br)c2cccc(Br)c2)c1 2113492584 CHCHFCBIAGRJJL-CYBMUJFWSA-N 450.971 6.338 50 10 JKGE Cc1cc(Br)c([C@H](Br)[C@@H]2C[C@@H]3CC[C@H](C2)O3)cc1Br 2124951862 IJCJPZKNSUQSFI-JNIYBQFBSA-N 453.012 5.914 50 10 JKGE CC1(C)CCCN(C(=O)c2scc(Br)c2Br)[C@H]1CBr 2129328663 UQNJLSRQXSTHSO-VIFPVBQESA-N 474.056 5.299 50 10 JKGE COc1cc(Cl)c([C@H](Br)c2nn(C)cc2Br)cc1Br 2137644916 GTLWOZCICFGHBU-NSHDSACASA-N 473.390 5.091 50 10 JKGE Cc1cc(Cl)c([C@H](Cl)c2ccc(Br)cc2I)cc1Cl 2142278871 JBBDQELAWDMSCS-CQSZACIVSA-N 490.393 6.997 50 10 JKGE Cc1cccc(COc2c(Br)cc(Cl)cc2CBr)c1Br 2144186042 GOYROWUXDWFAQK-UHFFFAOYSA-N 483.425 6.647 50 10 JKGE Cc1sc(Br)c([C@H](Cl)c2csc3c(Br)cccc23)c1C 2157251396 LDMZJOAYGCSDGL-CYBMUJFWSA-N 450.648 7.433 50 10 JKGE Fc1ccc2nc(CCl)n([C@@H]3CCCN(Cc4ccccc4)CC3)c2c1Br 2160558041 GMALLEAPTMEENJ-MRXNPFEDSA-N 450.783 5.904 50 10 JKGE CCc1cc([C@@H](Cl)c2cc(Br)ccc2I)c(F)cc1F 2175400812 WULXNDSOFIHGFD-OAHLLOKOSA-N 471.510 6.223 50 10 JKGE O=S(=O)(c1ccc(CBr)cc1Cl)N(Cc1ccccc1)CC1CCCCC1 2179792799 KWMLSQRVTSAYLQ-UHFFFAOYSA-N 470.860 6.006 50 10 JKGE Cc1c(Br)sc([C@H](Br)c2ccc(C(C)(F)F)cc2)c1Br 2184812475 JAWKYCQLNRCTTA-LLVKDONJSA-N 489.017 7.178 50 10 JKGE COc1ccc(CC[C@H](Br)c2ccc(Br)cc2Br)cc1 2203688906 WKVOAYUNCDCNMM-HNNXBMFYSA-N 463.007 6.289 50 10 JKGE Clc1cc(CN2C[C@@H](CBr)C3(CCCC3)C2)ccc1I 2208046838 WVRDHKVXPAUUMG-CYBMUJFWSA-N 468.604 5.332 50 10 JKGE Cc1cc(Br)c([C@@H](Br)[C@H]2C[C@H]3CCC[C@H](C3)C2)cc1Br 2233658762 YBHNLHMSVQMWLW-LKQDWFRTSA-N 465.067 7.172 50 10 JKGE CCCCCCc1ccc([C@H](Cl)c2cc(Br)sc2Br)s1 2234125101 XUSDIOXQWJSDMM-CQSZACIVSA-N 456.696 7.786 50 10 JKGE CC(C)(C)c1cc(Br)cc(C[C@H](Br)CN2C(=O)c3ccccc3C2=O)c1 2245036125 LSBQGDZNLPIIDH-INIZCTEOSA-N 479.212 5.349 50 10 JKGE CCc1cc([C@H](Br)Cc2ccccc2Br)sc1Br 2255975979 CVPKBMCQMWKXBI-GFCCVEGCSA-N 453.037 6.514 50 10 JKGE CC(C)(C)C1CCC(CI)(O[C@H]2CCN(Cc3ccccc3)C2)CC1 2259449673 MZNVZAXFQFSGKF-FUHYEJFZSA-N 455.424 5.688 50 10 JKGE COc1ccc(Cl)cc1[C@@H](Br)c1ccc(Cl)c(I)c1 2268279817 RXAKPMSMQXKQAH-AWEZNQCLSA-N 471.947 6.091 50 10 JKGE COc1c([C@H](Br)c2cc(Br)co2)cc(Br)c(C)c1C 2270492573 XXRUYEITJLDWSN-ZDUSSCGKSA-N 452.968 5.914 50 10 JKGE C[C@@H]1Cc2cc(Br)cc([C@H](Br)c3cc(Br)co3)c2O1 2270493150 ZWIVURVLILYKLD-UHLUBPPHSA-N 450.952 5.612 50 10 JKGE Fc1cc(Br)c(F)c(Br)c1[C@H](Br)CC1C[C@@H]2C[C@H]2C1 2272723609 ZXYLIQBQHLUBPK-IWSPIJDZSA-N 458.966 6.362 50 10 JKGE CCOc1ccc(C)cc1[C@@H](Br)c1ccc(Cl)c(I)c1 2283575532 WEBSFWFAJMAHHG-INIZCTEOSA-N 465.556 6.136 50 10 JKGE Brc1cc(Br)cc(C[C@H](Br)[C@]23CCCC[C@H]2CCC3)c1 2295343086 RRTRQOXOEAGQEY-JQFCIGGWSA-N 465.067 6.878 50 10 JKGE CCOC(=O)c1c(-c2ccc(F)cc2)csc1NC(=O)C(C#N)=Cc1ccc(C(C)C)cc1 2296500549 XNVBSJDAFTVZLN-UHFFFAOYSA-N 462.546 6.400 50 10 JKGE COc1cccc(NC(SCc2ccccc2F)=C(C#N)C(=O)NCc2cccs2)c1 2297414610 YEYUBMSKTSBEEC-UHFFFAOYSA-N 453.564 5.293 50 10 JKGE CO[C@@H]1CC[C@@H]1C[C@@H](Br)c1cc(Br)ccc1OCc1ccccc1 2299488707 JCDLZBWNRAETTF-ATZDWAIDSA-N 454.202 6.279 50 10 JKGE C[C@@H](C[C@@H](Br)c1ccc(OCc2ccccc2)cc1Br)C(C)(C)C 2299496541 NWORPDZKNWVUJW-HNAYVOBHSA-N 454.246 7.536 50 10 JKGE CC1(C)CC[C@H]([C@H](Br)c2ccc(OCc3ccccc3)cc2Br)C1 2299506294 ALGCJGQCVZCHTA-JXFKEZNVSA-N 452.230 7.290 50 10 JKGE Brc1ccc(OCc2ccccc2)c([C@@H](Br)[C@@H]2CCCC23CC3)c1 2299527277 GINABTJHTBLHIH-AZUAARDMSA-N 450.214 7.044 50 10 JKGE CCN(C[C@@](C)(CI)OC[C@@H]1CCC(C)(C)C1)C(=O)OC(C)(C)C 2302677271 CNNDOSUNNPUBNR-DNVCBOLYSA-N 453.405 5.280 50 10 JKGE CCOc1cc(C=C(C#N)C(=O)Nc2ccccc2)ccc1OCc1c(Cl)cccc1Cl 2313630585 OQPYBSHPEBTBHD-UHFFFAOYSA-N 467.352 6.517 50 10 JKGE C[C@]1([C@H](Br)c2ccc(OCc3ccccc3)cc2Br)C[C@H]1C(F)(F)F 2314461331 QFUYOYLVEWJHAJ-KURKYZTESA-N 478.146 7.053 50 10 JKGE N#CC(=Cc1ccc(N2N=C(c3ccccc3)C[C@@H]2c2ccccc2)cc1)C(=O)NCc1ccco1 2314482651 QSRPHMJOAUIOQQ-GDLZYMKVSA-N 472.548 5.859 50 10 JKGE Brc1ccc(OCc2ccccc2)c([C@H](Br)[C@H]2CC[C@@H]3C[C@H]2CO3)c1 2314494815 LTXOXXVMRSYNSX-CQSHLORDSA-N 466.213 6.279 50 10 JKGE COc1ccc(N2C(=O)[C@H](Cc3ccc(C)cc3)SC2=C(C#N)C(=O)Nc2ccccc2OC)cc1 2314592643 ZITVCUYUANEFCQ-VWLOTQADSA-N 499.592 5.077 50 10 JKGE Cc1ccc(C[C@H](Br)c2sc(Cl)cc2I)cc1C 2316599759 WAODSADSKXMEQV-NSHDSACASA-N 455.586 6.302 50 10 JKGE C[C@@H]1[C@@H](Br)CCN(Cc2ccc(I)c(Br)c2)[C@H]1C 2325229878 QEXOXHCXUHAOBH-NHCYSSNCSA-N 487.017 5.048 50 10 JKGE Cc1cc(OCc2cccc(CCl)c2)cc2c1C(=O)C(=Cc1ccc(-c3ccccc3)cc1)O2 2325363510 VQBJBWYMDRWVRY-UHFFFAOYSA-N 466.964 7.596 50 10 JKGE CCOC(=O)c1c(-c2ccc(OC)cc2)csc1NC(=O)C(C#N)=Cc1ccc(F)cc1 2329639409 OKHRWODLBITROY-UHFFFAOYSA-N 450.491 5.285 50 10 JKGE CCOc1ccc(-c2csc(C(C#N)=C(O)c3ccc4c(c3)C(=O)N(C(C)(C)C)C4=O)n2)cc1 2331305270 KOMWUZISHAAOSH-UHFFFAOYSA-N 473.554 5.553 50 10 JKGE COc1ccc(OCC(O)=C(C#N)c2nc(-c3c(C)cc(C)cc3C)cs2)c(C(C)(C)C)c1 2331394062 YNSNROUKHQBUSO-UHFFFAOYSA-N 462.615 6.913 50 10 JKGE CCOc1cc(C=C(C#N)c2nc(-c3cccc(OC)c3)cs2)cc(Br)c1O 2331418017 AGVHCWOOMBWTAD-UHFFFAOYSA-N 457.349 5.750 50 10 JKGE COc1ccccc1C[C@H](Br)c1ccc(OCc2ccccc2)cc1Br 2336084901 YDQCDJBOLUDFIV-FQEVSTJZSA-N 476.208 6.715 50 10 JKGE CC1CC(CC[C@H](Br)c2c(Cl)cc(Br)c(F)c2Br)C1 2337096948 JNNJIGQUZUGBOW-HACHORDNSA-N 477.437 7.266 50 10 JKGE COc1c(Br)cc(C)c([C@H](Br)C[C@H](C)C2CC2)c1Br 2339639885 RMXYAGDDXVXIJT-GZMMTYOYSA-N 455.028 6.401 50 10 JKGE Cc1cc(Br)c(F)c(Br)c1[C@@H](Br)C[C@@H]1CC[C@@H]2C[C@H]12 2339679615 NMIRAOASAHYJPJ-RCWTZXSCSA-N 455.003 6.531 50 10 JKGE Fc1ccccc1[C@@H](CI)OCc1cccc(I)c1 2341611367 IZSFJUSRJLHERK-OAHLLOKOSA-N 482.074 5.123 50 10 JKGE Cc1cc(Br)c([C@@H](Cl)c2csc(C)c2Br)c(C)c1Br 2343563373 IVXVJVGWPQIGCF-AWEZNQCLSA-N 487.482 7.289 50 10 JKGE FC1(F)CC2(C1)C[C@]2(CCl)Cc1ccc(I)c(Br)c1 2349845276 NJDIPFLMQOWKGJ-LBPRGKRZSA-N 461.515 5.641 50 10 JKGE Cc1cc(Br)c(C)c([C@@H](Br)C[C@@H]2CCC[C@@H]3C[C@H]23)c1Br 2357917041 QVIPXWWKRFLZBJ-OSFYFWSMSA-N 465.067 7.091 50 10 JKGE Fc1cc(Cl)c(Br)c(Cl)c1[C@H](Br)[C@H]1CCCCC1(F)F 2360424508 SXDALFKPBFXITI-LHLIQPBNSA-N 454.939 7.157 50 10 JKGE Brc1cc(OCc2ccccc2)ccc1[C@@H](Br)[C@@H]1CC2(CCCCC2)CO1 2361168671 NVTXUXWVWQGSGZ-FCHUYYIVSA-N 494.267 7.204 50 10 JKGE Cc1ccc(Cl)c([C@@H](Br)c2c(C)cc(Br)c(F)c2Br)c1 2365223089 KCGFUYPXXQSQPK-CYBMUJFWSA-N 485.416 7.105 50 10 JKGE COc1cc([C@@H](Cl)c2c(C)cc(Br)c(F)c2Br)sc1Cl 2365841197 UQPJTQVLAOCCJZ-LLVKDONJSA-N 462.993 6.711 50 10 JKGE Cc1c(CBr)ccc(NC(=O)c2scc(Br)c2Br)c1C 2368005655 AXEABXGHJNOGPP-UHFFFAOYSA-N 482.035 6.037 50 10 JKGE Cc1ccc(C[C@@H]2S/C(=C(\C#N)C(=O)Nc3ccc(Cl)cc3)N(c3ccccc3)C2=O)cc1 2196353 FQQWLUNPYUVRTO-GPSDDGMOSA-N 473.985 5.713 50 10 JKGE CCOc1cc(/C=N/NC(=O)C(c2ccccc2)c2ccccc2)ccc1OCc1ccc(Cl)cc1 2776512 IFRAESHMUOYQAO-UZWMFBFFSA-N 499.010 6.600 50 10 JKGE COc1cc(/C=C(/C#N)C(=O)Nc2ccc(Cl)cc2[N+](=O)[O-])ccc1OCc1ccc(F)cc1 6906935 PAAIIWLRXVAGMA-YVLHZVERSA-N 481.867 5.521 50 10 JKGE CCSc1ccsc1[C@@H]1C(C#N)=C(N)N(c2cccc(Cl)c2C)C2=C1C(=O)CC(C)(C)C2 9982247 FNHKBVWXVYQCAH-OAQYLSRUSA-N 484.090 6.763 50 10 JKGE N#C/C(=C\c1ccc(-c2ccc(Cl)c(Cl)c2)o1)c1nc(O)c2c3c(sc2n1)CCCC3 28356651 ULJFOFYBBUSWMB-UKTHLTGXSA-N 468.365 6.907 50 10 JKGE N#C/C(=C\c1ccc(-c2c(Cl)cccc2Cl)o1)c1nc(-c2ccc3ccccc3c2)cs1 28357135 BFWCODRGJVWHMZ-CPNJWEJPSA-N 473.384 8.594 50 10 JKGE N#CC1=C(N)Oc2cc(OC(=O)c3cc4ccccc4oc3=O)ccc2[C@H]1c1cccc2ccccc12 38688535 VMFHKKAHZCYALW-HHHXNRCGSA-N 486.483 5.384 50 10 JKGE CCCCC1CCC(C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@H]3c2ccccc2OCCC)CC1 38700660 AVRIQCAORYGWKG-ZAFMFWTISA-N 488.628 6.596 50 10 JKGE N#C/C(=C\c1ccc(-c2ccc(Cl)cc2)o1)c1nc(-c2ccc(Br)cc2)cs1 39885015 VHTJDKCTYXSYCH-LFIBNONCSA-N 467.775 7.550 50 10 JKGE N#C/C(=C\c1c(Oc2ccccc2)nc2ccccn2c1=O)C(=O)Nc1cccc(C(F)(F)F)c1 39992796 ODSJMHFYEPJBCI-DTQAZKPQSA-N 476.414 5.051 50 10 JKGE CCN(c1ncnc(NNC(=O)C(c2ccccc2)c2ccccc2)c1N)c1cccc2ccccc12 40702082 TXNXJVYQTZYSMO-UHFFFAOYSA-N 488.595 5.645 50 10 JKGE COc1ccc(Cl)cc1NC(=O)c1oc2c(c1C)/C(=N/NC(=O)c1ccc(F)cc1)CCC2 40811865 ZGCIGAUFYPJGIG-OGLMXYFKSA-N 469.900 5.112 50 10 JKGE COc1ccc(/C=N/NC(=O)C(c2ccccc2)c2ccccc2)cc1COc1ccc(Cl)cc1 59120146 ANMOZJMMJHHXSO-ZCTHSVRISA-N 484.983 6.210 50 10 JKGE Fc1cc(Br)c(Cl)cc1[C@@H](Br)c1cc2c(s1)CCCCC2 97895813 QUWNDNCORGAPNI-MRXNPFEDSA-N 452.614 7.056 50 10 JKGE Clc1cccc(CC(CBr)(CBr)c2cccc(Br)c2)c1 118878750 XDMYYHBMUUFQCW-UHFFFAOYSA-N 481.453 6.373 50 10 JKGE CCOc1ccc([C@H](Cl)c2ccc(I)cc2)c(Br)c1 126681733 TWXZCWJGDJFIPT-OAHLLOKOSA-N 451.529 5.781 50 10 JKGE Fc1ccc(C[C@H](Br)c2cc(Br)c(Br)s2)c(F)c1 128219154 KHCYLOMYHCSNJJ-QMMMGPOBSA-N 460.963 6.230 50 10 JKGE Cc1cc(Br)c([C@@H](Br)c2ccc(Cl)cc2Cl)cc1Br 128769586 NNACXXZMFPDAFJ-AWEZNQCLSA-N 487.844 7.311 50 10 JKGE Fc1ccc(C(CBr)(CBr)Cc2cccc(F)c2Br)cc1 157924677 GAQWFQOZWBDOAB-UHFFFAOYSA-N 482.988 5.998 50 10 JKGE COc1ccc([C@H](Br)c2cc(Br)ccc2Br)c(F)c1 161094927 YMZADIGIXVORMP-AWEZNQCLSA-N 452.943 5.844 50 10 JKGE C=CCOc1cccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)/C=C\c4ccc(OC)cc4)ccc32)c1 205658996 ASMPUMNKWCOTJY-MWZVXJTDSA-N 480.520 5.097 50 10 JKGE CC[C@H](NC(=O)/C(C#N)=C\Nc1ccc(I)cc1C)c1ccc2c(c1)CCCC2 217189978 UWOIERBZVMBRSN-BARSGRSVSA-N 499.396 5.565 50 10 JKGE CC[C@@H](NC(=O)/C(C#N)=C\NCCc1ccccc1Br)c1ccc2c(c1)CCCC2 217193579 MHVIZBQNFLNAPP-IAAPFODBSA-N 466.423 5.135 50 10 JKGE CCc1cccc(C)c1NC(=O)/C(C#N)=C\N1CCN(C(c2ccccc2)c2ccccc2)CC1 217218810 YIOVAYLHFQVBJZ-QYQHSDTDSA-N 464.613 5.311 50 10 JKGE BrCc1ccc(OCc2cc(Br)cc3c2OCC3)c(Br)c1 228486300 XLNQPGVOKWXYEZ-UHFFFAOYSA-N 476.990 5.620 50 10 JKGE O=C(NC[C@H]1CCCC[C@H]1CBr)c1cc(Br)cc(Br)c1 232475838 QJDOHERBGVICTA-WDEREUQCSA-N 468.027 5.143 50 10 JKGE COc1ccc([C@H](Cl)c2cc(I)ccc2Br)cc1F 234994725 MFEZJEQGTFOPON-AWEZNQCLSA-N 455.492 5.530 50 10 JKGE Brc1cc([C@H](Br)[C@@H]2[C@H]3CCc4ccccc4[C@@H]32)sc1Br 250858024 QWMKOIXUVDYMHP-HPEDKQMDSA-N 477.059 6.685 50 10 JKGE CCCOc1ccc(C=NNC(=O)CSc2nnc(-c3ccc(C)cc3)n2C2CCCCC2)cc1 254310264 VJCSGMGQHWLFCD-UHFFFAOYSA-N 491.661 5.790 50 10 JKGE O=C(CSc1nnc(SCc2ccccc2)s1)NN=Cc1ccccc1C(F)(F)F 254699850 NDDAEDHUDOPEEC-UHFFFAOYSA-N 468.551 5.092 50 10 JKGE COc1cc(C=NNC(=O)c2ccc(OCc3ccc(C)cc3)cc2)ccc1OC(=O)c1ccccc1 254877804 RLPRAAAPLNZOSS-UHFFFAOYSA-N 494.547 5.566 50 10 JKGE Cc1ccccc1COc1ccccc1C=NNC(=O)CSc1nnc(-c2ccccc2)s1 256028468 OIUMCDHAGPNCAB-UHFFFAOYSA-N 474.611 5.335 50 10 JKGE CC[C@@H]1CCC[C@@H](OC2(CI)CCN(C(=O)OC(C)(C)C)CC2)C1 303741842 QCJJPGWMYJPVLU-HZPDHXFCSA-N 451.389 5.177 50 10 JKGE Clc1cc([C@@H](Cl)c2cc(I)cc3c2OCC3)ccc1Br 312431668 ASKYUYIBZYINPP-CQSZACIVSA-N 483.958 5.970 50 10 JKGE Fc1cccc2c1nc(CCl)n2-c1ccc(Br)c(I)c1 312672992 YAYXHUMKPDMOJJ-UHFFFAOYSA-N 465.491 5.271 50 10 JKGE O=C1Cc2cc([C@@H](Br)c3ccccc3Br)c(Br)cc2N1 312696999 CPWREEKBLBBBRY-HNNXBMFYSA-N 459.963 5.191 50 10 JKGE Cc1cc(C)c([C@H](Br)c2cc(Br)ccc2F)c(C)c1Br 380472841 UMHGTPIYZMOOEX-MRXNPFEDSA-N 464.998 6.760 50 10 JKGE CO[C@H]1CCC[C@@H](Oc2c(Br)cc(Br)cc2CBr)C1 381960163 DMCXBCNVOQDWNB-NWDGAFQWSA-N 457.000 5.443 50 10 JKGE COc1c(Br)cc(Cl)cc1[C@H](Br)c1ccccc1OCc1ccccc1 388418089 MLGYKYWADYAHEC-HXUWFJFHSA-N 496.626 7.174 50 10 JKGE Fc1cc([C@@H](Br)c2csc(I)c2)c(F)c(F)c1F 395653202 QTXDFQNGCIXNNI-QMMMGPOBSA-N 451.020 5.393 50 10 JKGE CN(C(=O)OC(C)(C)C)c1cccc([C@H]2CNc3ccccc3N2CCO[Si](C)(C)C(C)(C)C)c1 616584167 JHTYDMKRYOAOBA-RUZDIDTESA-N 497.756 7.053 50 10 JKGE C[C@@H](CBr)[C@H]1CCCCN1C(=O)c1cc(Br)c(Br)s1 699961718 STGBIPRWDSJCLL-WCBMZHEXSA-N 474.056 5.299 50 10 JKGE C[C@@H]1Cc2cc(Br)cc([C@@H](Br)c3cc(Cl)sc3Cl)c2O1 720049704 GMKHDJYPYZUBSW-SREIQFSDSA-N 457.014 6.625 50 10 JKGE O=C(NN=Cc1cc(Br)c(Sc2ccc(Cl)cc2)o1)Nc1ccc(F)cc1 1084017387 BYXYGMZXHCRDTG-UHFFFAOYSA-N 468.735 6.141 50 10 JKGE Cc1c(/C=C(\C#N)C(=O)Nc2cccc(Cl)c2Cl)c2ccccc2n1Cc1ccccc1F 1084029966 SANRKMTYCRORTO-QGOAFFKASA-N 478.354 6.990 50 10 JKGE COc1ccc(C=NNC(=O)c2ccc(NC(=O)c3ccc(C(C)(C)C)cc3)cc2)c(OC)c1 1084079310 ALSWNELCZITZBM-UHFFFAOYSA-N 459.546 5.018 50 10 JKGE Cc1cc([N+](=O)[O-])ccc1-n1c(C)cc(/C=C(\C#N)C(=O)NCCc2c[nH]c3ccccc23)c1C 1084109841 HFNSRGPXSMMIMR-HYARGMPZSA-N 467.529 5.058 50 10 JKGE O=C(COc1ccc(C2CCCCC2)cc1)NN=C1C(=O)N(C/C=C/c2ccccc2)c2ccccc21 1084186959 JUELNAAISXZJNF-QZBRBYTLSA-N 493.607 5.694 50 10 JKGE Cc1ccc(C)c(NC(=O)/C(C#N)=C\c2ccc(-c3ccc([N+](=O)[O-])cc3Br)o2)c1 1084264552 WLQWJFKRORHQQI-GDNBJRDFSA-N 466.291 5.780 50 10 JKGE CCOc1cc(C=NNC(=O)c2cc3ccccc3o2)cc(Cl)c1OCc1ccc(C)cc1 1084546646 UDRFHALZOXOVQB-UHFFFAOYSA-N 462.933 6.136 50 10 JKGE CCCCCCOc1ccc(C=NNC(=O)[C@H](C)Oc2ccc(-c3ccccc3)cc2)cc1OC 1772755765 RDMQGBIXLCFOSR-QFIPXVFZSA-N 474.601 6.239 50 10 JKGE CCc1nn(Cc2ccc(Cl)c(Cl)c2)c2c1[C@@H](c1ccc(Cl)cc1Cl)C(C#N)=C(N)O2 1865685151 DWDOHWRBTWVPFL-IBGZPJMESA-N 494.209 6.326 50 10 JKGE CCCc1nn(Cc2cccc(Cl)c2)c2c1[C@@H](c1ccc(OCC)c(OCC)c1)C(C#N)=C(N)O2 1865688900 DQSFKWQMFGCACR-DEOSSOPVSA-N 493.007 5.553 50 10 JKGE CCCCOc1ccc([C@@H]2C(C#N)=C(N)Oc3c2c(-c2ccccc2)nn3CC(C)C)cc1OC 1865696065 BSGMLSHEWNXWKW-XMMPIXPASA-N 472.589 5.612 50 10 JKGE COc1ccc(-c2nn(-c3ccc(OC)cc3)c3c2[C@H](c2sccc2C)C(C#N)=C(N)O3)cc1 1865699327 QOMSQXMASVKHNH-OAQYLSRUSA-N 470.554 5.145 50 10 JKGE CCN(CC)c1ccc([C@H]2C(C#N)=C(N)Oc3c2c(-c2ccccc2)nn3-c2ccc(OC)cc2)cc1 1865701787 FGHGRGHRDDGIIK-SANMLTNESA-N 491.595 5.612 50 10 JKGE COc1ccc(-c2nn(-c3cccc(Cl)c3)c3c2[C@H](c2cccc([N+](=O)[O-])c2)C(C#N)=C(N)O3)cc1 1865706436 WRYOFLZKSYKOON-JOCHJYFZSA-N 499.914 5.328 50 10 JKGE Cc1nn(Cc2cccc(F)c2)c2c1[C@H](c1cccc(OCc3ccccc3)c1)C(C#N)=C(N)O2 1865711530 ATZKHOGXLYRIFX-AREMUKBSSA-N 466.516 5.176 50 10 JKGE CCOc1cc(/C=C(\C#N)n2cnc3ccccc32)ccc1OCc1ccc(Br)cc1 1872727364 VBNADYDQJHARTQ-FYJGNVAPSA-N 474.358 6.298 50 10 JKGE COC(=O)c1ccc2c(O)nc(/C(C#N)=C/c3cc(C(C)(C)C)c(O)c(C(C)(C)C)c3)nc2c1 1872727730 WTYBAAAVDSJSSQ-LICLKQGHSA-N 459.546 5.487 50 10 JKGE N#C/C(=C(O)\C(=C/c1ccccc1)c1ccccc1)c1nc(-c2cccc(Br)c2)cs1 1872745904 JCHMJPRUHPUCKE-QRFZOUOXSA-N 485.406 7.606 50 10 JKGE COc1cc(/C(O)=C(\C#N)c2nc(-c3cccs3)cs2)c(Br)c(OC)c1OC 1872751121 YUVMVPWYHOJEFW-WJDWOHSUSA-N 479.377 5.610 50 10 JKGE Cc1cc(OC/C(O)=C(\C#N)c2nc(-c3ccc(C(C)(C)C)cc3)cs2)cc(C)c1Cl 1872751251 YTQDAPRBKJLVCF-XDOYNYLZSA-N 453.007 7.250 50 10 JKGE C=CCOc1ccccc1OC/C(O)=C(\C#N)c1nc(-c2cc(OC)c(Cl)cc2OC)cs1 1872756509 MZJPCFFAQBJSOT-MNDPQUGUSA-N 484.961 5.917 50 10 JKGE COc1c(C)cc(Cl)cc1-c1csc(/C(C#N)=C(\O)c2ccc(NS(C)(=O)=O)cc2)n1 1872757109 QSSBOCGDMACUMH-ZPHPHTNESA-N 475.979 5.102 50 10 JKGE CCOc1ccc(/C=C(\C#N)c2nc(-c3cc(Cl)c(OC)c(Cl)c3)cs2)cc1OCC 1872794495 FHYIXJWVJYCBBU-LZYBPNLTSA-N 475.397 6.987 50 10 JKGE FC1(F)CC[C@@H](Br)[C@@H](Cc2c(Br)cccc2Br)CC1 1881850008 MYPDZIFERABNQD-MWLCHTKSSA-N 460.982 6.343 50 10 JKGE FC(F)C(F)(F)C[C@H](Br)c1sc(Cl)cc1I 1901029128 RISWVBKFYFAGQV-VKHMYHEASA-N 451.448 5.733 50 10 JKGE C[C@@H](CBr)N(Cc1ccccc1)C(=O)c1cc(C(F)(F)F)ccc1Br 1914225825 AMGKCXSMSSERIV-LBPRGKRZSA-N 479.134 5.894 50 10 JKGE CCn1ncc(Br)c1[C@H](Cl)c1sc(Br)c(C)c1Br 1922919899 AQHXHHDMVYUFBZ-QMMMGPOBSA-N 477.447 5.889 50 10 JKGE Cc1ccc(Br)c([C@H](Cl)c2c(Br)sc(Br)c2Cl)c1 1923039751 QPBHEHVFODQBDD-VIFPVBQESA-N 493.873 7.326 50 10 JKGE Clc1c(Br)sc(Br)c1[C@@H](Br)[C@@H]1[C@H]2CCCC[C@H]21 1923073603 YIUQGTYVZPJRSZ-SZACMFPPSA-N 463.460 6.799 50 10 JKGE C[C@H](c1ccncc1Br)[C@@H](Br)c1cc(Br)ccc1F 1924042289 ZKRQIXXZWPZBEE-XLKFXECMSA-N 451.959 5.985 50 10 JKGE Brc1sc(Br)c([C@@H](Br)[C@@H]2CCOC2)c1Br 1924576187 KYUMPEHAPSGUCG-XINAWCOVSA-N 483.845 5.508 50 10 JKGE CN(C[C@@H](Br)COCc1ccccc1)C(=O)c1cc(Br)c(Cl)s1 1981401422 JLMRVAAQRYNVFA-GFCCVEGCSA-N 481.637 5.216 50 10 JKGE CC(C)CC1([C@H](Br)c2c(Br)sc(Br)c2Cl)CC1 2015717174 MCEJKKNHCMMRDP-SECBINFHSA-N 465.476 7.189 50 10 JKGE C[C@H]1OC2([C@H](Cl)c3c(Br)sc(Br)c3Br)CC1C2 2017754097 BSJDQFXRUBLJKX-LISBXJGFSA-N 465.432 5.883 50 10 JKGE CCC1CC(C[C@H](Cl)c2c(Br)sc(Br)c2Br)C1 2025343502 IMLIIZOBFSWOQR-RRQHEKLDSA-N 465.476 7.142 50 10 JKGE Cc1cc(C(=O)N(Cc2ccccc2)C2(CCl)CCC2)ccc1I 2026131777 ZQBVHJUSNMVLJZ-UHFFFAOYSA-N 453.751 5.404 50 10 JKGE FC(F)(F)c1ccccc1Cn1nc(CCl)c(I)c1C(F)(F)F 2079210787 ACUINLCVHRHAAH-UHFFFAOYSA-N 468.566 5.312 50 10 JKGE Cc1ccc([C@H](Br)c2c(Br)sc(C)c2C)cc1Br 2082883233 DQGQNMKIVANBFM-ZDUSSCGKSA-N 453.037 6.683 50 10 JKGE CN(C(=O)c1scc(Br)c1Br)C1(CCBr)CCC1 2085062622 GALZFKQJEJWTMG-UHFFFAOYSA-N 460.029 5.053 50 10 JKGE Cc1sc(Br)cc1[C@H](Br)c1cc(Br)c2c(c1)CCO2 2095697204 UAVDMQBEKRMLTA-CYBMUJFWSA-N 467.020 6.001 50 10 JKGE Cc1ccc(Br)c(Oc2c(CBr)ccc(Br)c2Cl)c1 2098111398 RDIGTXCHCSPWSB-UHFFFAOYSA-N 469.398 6.861 50 10 JKGE CC(C)(CBr)[C@@H]1CCCN1Cc1ccc(Br)cc1Br 2099642511 IKNYATWEVFHLNM-AWEZNQCLSA-N 454.044 5.597 50 10 JKGE CN(C(=O)c1cc(Br)c(Br)s1)[C@H]1CCCCC[C@@H]1Br 2115916318 XPEGTRIEBWFCJT-WPRPVWTQSA-N 474.056 5.441 50 10 JKGE COC[C@@H]1CC[C@H](Cc2c(Br)cccc2Br)C[C@@H]1Br 2127210601 NMXZYLUBPXUORF-ZETOZRRWSA-N 455.028 5.580 50 10 JKGE CCCOC1([C@@H](Br)c2c(C)c(Br)cc(C)c2Br)CC1 2136378141 UNZDAOMRCUMDFG-AWEZNQCLSA-N 455.028 6.224 50 10 JKGE Cc1cc([C@@H](Cl)c2ccc(Br)cc2I)c(C)cc1Cl 2142287558 NPTQSQKOPDPRBF-HNNXBMFYSA-N 469.975 6.652 50 10 JKGE Cn1c(=O)oc2cc([C@@H](Br)c3csc(Br)c3Br)ccc21 2150342237 STZIQEDYIBOMKC-SNVBAGLBSA-N 481.991 5.202 50 10 JKGE Clc1sc(Br)c(Cl)c1[C@H](Br)[C@@H]1CC2(CCCCC2)CO1 2166266615 MRCQFOKMMFPXJO-WCBMZHEXSA-N 463.062 6.993 50 10 JKGE O=C(c1scc(Br)c1Br)N1CC[C@](CBr)(C(F)(F)F)C1 2167688088 NZYWFOVATFKHRH-SNVBAGLBSA-N 499.972 5.063 50 10 JKGE C[C@H](N(Cc1ccccc1)S(=O)(=O)c1cc(Cl)cc(CBr)c1F)C(C)(C)C 2179859414 DDLWUQZCESNNSO-AWEZNQCLSA-N 476.839 6.000 50 10 JKGE CC1(C)CCC[C@@H](CO[C@@H](CI)c2ccccc2Br)O1 2185558426 ARLLLELJSUDFHW-WFASDCNBSA-N 453.158 5.290 50 10 JKGE FCCOc1cccc([C@H](Cl)c2c(Br)sc(Br)c2Cl)c1 2189516403 CAIBVXHIBCATRP-JTQLQIEISA-N 462.993 6.603 50 10 JKGE CCCCCc1ccc([C@H](Br)c2cc(Br)ccc2Br)s1 2197256892 FYPGCRZSHCXBMR-MRXNPFEDSA-N 481.091 7.490 50 10 JKGE COc1cc(Cl)c([C@H](Br)c2cccc(F)c2Br)cc1Br 2202349979 BVDDVOCCSQHXNK-CYBMUJFWSA-N 487.388 6.497 50 10 JKGE COc1cc(Cl)c([C@H](Br)c2ccc(F)cc2Br)cc1Br 2202353640 STWSWKQBLDVKLX-CQSZACIVSA-N 487.388 6.497 50 10 JKGE COc1c(Cl)cc(Br)cc1[C@H](Br)c1c(Br)c(C)nn1C 2202993612 XOKMUVDTEAMMKJ-NSHDSACASA-N 487.417 5.400 50 10 JKGE COc1c(Br)cc(C)cc1[C@@H](Br)c1cc(Br)ccc1Cl 2203829754 KZLYGBKNNXYFGL-AWEZNQCLSA-N 483.425 6.666 50 10 JKGE Fc1cc(Br)cc(N2CCc3sc(Br)cc3C2)c1CBr 2206355341 XYGMTLRSZPVJJL-UHFFFAOYSA-N 484.026 5.870 50 10 JKGE BrCc1ccc(Br)cc1N1[C@H]2CCC[C@@H]1CN(Cc1ccccc1)C2 2219192066 HJERROYFCDIJGO-BGYRXZFFSA-N 464.245 5.587 50 10 JKGE Cc1c(Br)ccc([C@@H](Br)[C@@H]2CCCC(C)(C)O2)c1Br 2226847802 DDQMHOXBTHHKNU-GXTWGEPZSA-N 455.028 6.304 50 10 JKGE Cc1cc(Br)c([C@@H](Br)[C@]2(C)CCCOC2)c(C)c1Br 2227356629 RWWWESYMKLBNPH-HUUCEWRRSA-N 455.028 6.081 50 10 JKGE Cc1cc(Br)c([C@H](Br)C2(C(C)(F)F)CC2)c(C)c1Br 2227360325 RFNYADVHLHASMA-LBPRGKRZSA-N 460.982 6.700 50 10 JKGE C[C@@H](Cl)c1nc2c(F)cc(Br)cc2n1C1CC(COCc2ccccc2)C1 2232918395 FROGUROYTUKOAA-BZOOQXSSSA-N 451.767 6.406 50 10 JKGE COc1c(C(C)C)cc(Br)cc1[C@@H](Br)c1csc(Br)c1 2233158528 BJWFDEPYZZRZAT-AWEZNQCLSA-N 483.063 6.889 50 10 JKGE Cc1cc(Br)c([C@H](Br)[C@@]2(C)CCCC2(F)F)c(C)c1Br 2235602088 CHJYNYYOAFBLIX-UONOGXRCSA-N 475.009 7.090 50 10 JKGE Cc1cc(Br)c([C@@H](Br)[C@@H]2CC3CCC2CC3)c(C)c1Br 2235603856 KYANMZWKUHKSAB-GIOFZSJBSA-N 465.067 7.091 50 10 JKGE C[C@H](c1cc(Br)c(Br)s1)[C@H](CBr)NC(=O)OC(C)(C)C 2241450979 YZBYOPZYUYMUQZ-CBAPKCEASA-N 492.071 5.665 50 10 JKGE C[C@H](Br)CN(Cc1ccccc1)C(=O)c1cc(Br)c(F)cc1Cl 2244169831 YWQDJPRMMNLIAP-NSHDSACASA-N 463.572 5.667 50 10 JKGE CCc1sc(Br)cc1[C@H](Br)c1scc(Br)c1Cl 2246469083 TVKTZHDQIDNIKS-VIFPVBQESA-N 479.484 7.035 50 10 JKGE CCc1cc(Br)c([C@H](Cl)c2c(F)cccc2I)s1 2255964883 HBKHUEIMZLTUIZ-GFCCVEGCSA-N 459.549 6.145 50 10 JKGE Fc1cc(Br)c(F)c(Br)c1[C@H](Cl)c1ccc(Br)s1 2260074209 VRYARBDLGVNLBL-SNVBAGLBSA-N 481.381 6.642 50 10 JKGE Cc1cc(Br)c([C@H](Br)c2ccccc2Br)c(C)c1F 2264487792 MYBFHSXMHKBPEX-CQSZACIVSA-N 450.971 6.452 50 10 JKGE Cc1sc(Br)cc1[C@H](Br)c1cc(Br)cc(C(C)C)c1 2265953587 GOHXHQNHMHPSQG-OAHLLOKOSA-N 467.064 7.189 50 10 JKGE Cc1cc(OCc2ccc(I)c(Cl)c2)ccc1CBr 2267782694 JXNXACJWFSPBTF-UHFFFAOYSA-N 451.529 5.727 50 10 JKGE COc1c(Br)cc(Cl)c(C)c1[C@@H](Br)c1cocc1Br 2277979632 AHLBZHLVHYVNNF-LBPRGKRZSA-N 473.386 6.259 50 10 JKGE COc1cc(OC)c([C@H](Br)c2cc(Br)cs2)cc1Br 2278020550 TUEKQBJKCLMXAH-ZDUSSCGKSA-N 471.008 5.775 50 10 JKGE C[C@H]1C[C@H]1CCCCCOc1c(Br)cc(Br)cc1CBr 2284871311 YTDIEWVFDPHITM-NWDGAFQWSA-N 469.055 6.702 50 10 JKGE N#CC(=Cc1ccc(-c2ccc(C(=O)O)cc2)o1)C(=O)Nc1cc(C(F)(F)F)ccc1Cl 2295187746 GYVBLQHAUFXCRI-UHFFFAOYSA-N 460.795 5.863 50 10 JKGE COc1ccc(Oc2nc3ccccn3c(=O)c2C=C(C#N)c2nc3ccccc3s2)cc1 2297468216 PHKVOPLOZPVGFI-UHFFFAOYSA-N 452.495 5.169 50 10 JKGE Brc1cc(OCc2ccccc2)ccc1[C@H](Br)[C@@H]1C[C@H]2CC[C@@H]1O2 2299489300 NTGDTIRBHURDRG-BEKAIBRUSA-N 452.186 6.032 50 10 JKGE Fc1cccc([C@H](Br)c2cc(Br)ccc2OCc2ccccc2)c1 2299491849 GOXSVMSWPUNOOB-FQEVSTJZSA-N 450.145 6.652 50 10 JKGE Brc1ccc(OCc2ccccc2)c([C@@H](Br)C2CCCCCC2)c1 2299498483 ZSBULRXPEQVCAG-NRFANRHFSA-N 452.230 7.435 50 10 JKGE COc1cc([C@H](Br)c2cc(Br)sc2Br)sc1Cl 2301935299 LTSKLGUBJWOZIJ-MRVPVSSYSA-N 481.456 6.481 50 10 JKGE Cc1c(Br)sc([C@@H](Br)[C@H]2[C@@H]3[C@H]2CCC3(F)F)c1Br 2309458262 CQKOSWPRMOBPCQ-XQXXSGGOSA-N 464.995 6.309 50 10 JKGE CCOc1ccc2ccccc2c1C=C(C#N)C(=O)Nc1c(C)nn(Cc2ccccc2)c1C 2313548197 OLKGYGDOYIXFPF-UHFFFAOYSA-N 450.542 5.646 50 10 JKGE C=CCc1cc(C=C(C#N)C(=O)Nc2ccc(C)cc2)ccc1OCc1ccc(Cl)c(Cl)c1 2313567204 DAKFSRGHCCDQNX-UHFFFAOYSA-N 477.391 7.155 50 10 JKGE Cc1c(C=C(C#N)C(=O)NC[C@@H]2CCCO2)c2ccccc2n1Cc1ccc(Cl)cc1Cl 2313609618 KRPGTXJCSFLHEJ-FQEVSTJZSA-N 468.384 5.507 50 10 JKGE COc1ccc(C=C(C#N)C(=O)Nc2cc([N+](=O)[O-])ccc2Cl)cc1OCc1ccc(Cl)cc1 2313670728 RZPQVPARUFIICG-UHFFFAOYSA-N 498.322 6.035 50 10 JKGE C=CCNC(=O)C(C#N)=C1S[C@H](Cc2cccc(C(F)(F)F)c2)C(=O)N1c1ccc(C(C)C)cc1 2314592727 APJGRUXVYDCNLF-JOCHJYFZSA-N 499.558 5.557 50 10 JKGE CC1=C(C#N)C(=O)N([C@H](C)c2ccccc2)C(=O)C1=Cc1cn(-c2ccccc2)nc1-c1ccccc1 2314618607 QIFAXNGKKQWVPJ-JOCHJYFZSA-N 484.559 5.893 50 10 JKGE CCCOc1cccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)C=Cc4ccc(OC)cc4)ccc32)c1 2314634862 XKTAMCGJFKYXMW-NDEPHWFRSA-N 482.536 5.321 50 10 JKGE C[C@@H]1CC[C@@H]([C@@H](Br)c2c(Cl)cc(Br)c(F)c2Br)O1 2315450047 XQEFLRYZAWPQMD-CPBLVBHUSA-N 465.382 6.008 50 10 JKGE COc1ccc([C@H](Br)c2sc(Cl)cc2I)c(F)c1 2316772066 VFESLCBPZCXJBL-NSHDSACASA-N 461.521 5.638 50 10 JKGE CC(C)(C)[C@@H]1CC[C@@H]1[C@H](Br)c1ccc(OCc2ccccc2)cc1Br 2320103351 LSLAQTGFSKBQQY-DSKINZAPSA-N 466.257 7.536 50 10 JKGE COc1cc(C=C(C#N)c2ccccc2OC)ccc1OC(=O)c1ccc(C(F)(F)F)cc1 2320506168 DBMBYKFINFPSHU-UHFFFAOYSA-N 453.416 6.006 50 10 JKGE CCOc1ccc(C=NNC(=O)c2ccc(-c3ccc(Cl)c(Cl)c3)nc2C)cc1OCC 2321248663 JNMHISAEMLJRFX-UHFFFAOYSA-N 472.372 5.925 50 10 JKGE C[C@H]1CC[C@@H](CBr)CN1Cc1ccc(I)c(Br)c1 2325224426 XCFIBEWWXDGVSK-JQWIXIFHSA-N 487.017 5.049 50 10 JKGE Cc1cc(OCCCC(O)=C(C#N)c2nc(-c3ccc(F)cc3F)cs2)cc(C)c1Cl 2331292750 CQPJCDBFSZHEQO-UHFFFAOYSA-N 460.933 7.010 50 10 JKGE COc1ccc(OC)c(C=CC(O)=C(C#N)c2nc(-c3ccc(Cl)c(Cl)c3)cs2)c1 2331311629 GXHIQMBSSSMKCI-UHFFFAOYSA-N 459.354 6.640 50 10 JKGE COc1ccc(-c2csc(C(C#N)=C(O)c3ccc(N4C(=O)c5ccccc5C4=O)cc3)n2)cc1F 2331336819 BEGZNTMWYJKYIA-UHFFFAOYSA-N 497.507 5.708 50 10 JKGE COc1cc(-c2csc(C(C#N)=C(O)c3cccc(Br)c3)n2)c(OC)cc1Cl 2331377129 MNXZLLQEAMZGHR-UHFFFAOYSA-N 477.767 6.193 50 10 JKGE CCOc1ccc(-c2csc(C(C#N)=Cc3ccc(OC(=O)c4ccccc4)cc3)n2)c(OCC)c1 2331473909 NPQPXESPWLUYLQ-UHFFFAOYSA-N 496.588 6.891 50 10 JKGE Cc1cc(Br)c([C@@H](Br)[C@@H]2C[C@H]2C2CCC2)c(C)c1Br 2333708421 IMSOZHURAJLVMP-OZVIIMIRSA-N 451.040 6.701 50 10 JKGE Cn1ncc([C@H](Cl)c2c(Cl)cc(Br)c(F)c2Br)c1Br 2337083544 ATBUIPSVZPURJU-VIFPVBQESA-N 495.799 5.828 50 10 JKGE COc1c(Br)cc(C)c([C@H](Br)CC2CC(F)C2)c1Br 2339654511 ALMSHIFQEPECFB-UDNWOFFPSA-N 458.991 6.103 50 10 JKGE Clc1ccc(COc2c(Cl)cccc2CBr)c(I)c1 2340110605 RPBVWADFKOZBBH-UHFFFAOYSA-N 471.947 6.072 50 10 JKGE CC(C)(C)OC(=O)N1C[C@@H](I)[C@H](OCC2CCC(CC(F)(F)F)CC2)C1 2353238442 KRWYZCPNJCPATJ-NEXFUWMNSA-N 491.332 5.185 50 10 JKGE Fc1c(Br)cc(Cl)c([C@H](Br)C[C@H]2CCC[C@@H]3C[C@@H]32)c1Br 2362239651 MMKMFIUGSWUGFG-DOLQZWNJSA-N 489.448 7.266 50 10 JKGE COc1ccc(C[C@H](Br)c2sc(C)c(Br)c2C)c(Br)c1 2364187914 GHLMYVUQTQLFKI-ZDUSSCGKSA-N 483.063 6.577 50 10 JKGE COc1ccc(CCOC2(CI)CCCCC2)c(Br)c1 2364694616 BVJLAEHFHOVDIJ-UHFFFAOYSA-N 453.158 5.155 50 10 JKGE COc1c(Br)cc(C)c([C@@H](Br)[C@@H]2CCCOCC2)c1Br 2365191443 NZEYLNIQAGQHNA-MFKMUULPSA-N 471.027 5.781 50 10 JKGE Cc1cc(Br)c(F)c(Br)c1[C@@H](Br)c1cccc(F)c1C 2365217702 GXYBZDDOIWYXLY-ZDUSSCGKSA-N 468.961 6.591 50 10 JKGE Oc1nc2ccc([C@@H](Br)c3ccc(Cl)cc3I)cc2o1 2365592486 NSQRALDYWQJUJF-CYBMUJFWSA-N 464.484 5.276 50 10 JKGE CC(C)n1ncc(Br)c1COc1ccc(Br)cc1CBr 2368040953 YVXSMRQMMNSWDK-UHFFFAOYSA-N 466.999 5.463 50 10 JKGE O=C(c1cc(Br)sc1Br)N1C[C@H]2CC(CBr)C[C@@H](C2)C1 2368429624 WMVWWDHMHMGRRY-UWVGGRQHSA-N 486.067 5.156 50 10 JKGE CCc1ccccc1N/C(SCc1cccc(F)c1)=C(/C#N)S(=O)(=O)c1ccccc1 20325353 UAYDFPJOGYEJAP-WCWDXBQESA-N 452.576 5.900 50 10 JKGE Cc1ccccc1N[C@H](C)C(=O)NN=Cc1ccccc1OCc1ccc(Br)cc1 27528089 JNAHFEHTWZHYDY-GOSISDBHSA-N 466.379 5.287 50 10 JKGE COc1cccc2cc(-c3nn(-c4ccccc4)cc3/C=C(/C#N)c3nc4ccccc4n3C)oc12 33515863 CPWCKSUCYDTXSX-HKWRFOASSA-N 471.520 6.245 50 10 JKGE CCN(Cc1ccccc1)c1ccc(/C=C(/C#N)c2nc(O)c3c4c(sc3n2)CCCC4)cc1 33733516 ZASJPBWRMLFEHW-PGMHBOJBSA-N 466.610 6.366 50 10 JKGE Cc1ccc(OCC(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@H]3c2cccc(Cl)c2)cc1C 38651230 WTPOFJIRFKVKEW-VWLOTQADSA-N 460.917 5.159 50 10 JKGE CCOc1c(Cl)cc(C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@@H]3c2ccco2)cc1Cl 38657475 AUIRLINGQRJRNT-HXUWFJFHSA-N 471.296 5.422 50 10 JKGE N#CC1=C(N)Oc2cc(OC(=O)Cc3ccc(Cl)cc3)ccc2[C@@H]1c1ccccc1Br 38678946 JGUQMUJCIWCTMG-QHCPKHFHSA-N 495.760 5.469 50 10 JKGE O=C(CCCc1c(-c2ccc3ccccc3n2)[nH]c2ccccc12)NNC(=O)c1ccc(Cl)cc1 39867143 IMCGIVOEKZIENW-UHFFFAOYSA-N 482.971 5.820 50 10 JKGE N#C/C(=C\c1ccc(-c2ccc(Cl)c(Cl)c2)o1)C(=O)Nc1cc(Cl)ccc1Cl 39884598 YZHQBKIJNZRUKA-KPKJPENVSA-N 452.124 7.106 50 10 JKGE CCOc1ccc(NC(=O)c2oc3c(c2C)/C(=N/NC(=O)c2ccc(Cl)cc2)CCC3)cc1 40811689 WMLCWXLUALRHSB-VFCFBJKWSA-N 465.937 5.363 50 10 JKGE Cc1cc(NC(=O)N/N=C/c2ccc(-c3ccc(C)c(C(=O)O)c3)o2)ccc1Br 59104602 GIRSKHHJUGXVAR-FOKLQQMPSA-N 456.296 5.180 50 10 JKGE CCOc1cc(/C=N/NC(=O)c2cc3ccccc3o2)cc(Cl)c1OCc1cccc([N+](=O)[O-])c1 59305051 IQVNNCXFVDBJDF-MZJWZYIUSA-N 493.903 5.736 50 10 JKGE CCOc1cc(/C=C(\C#N)c2ccc([N+](=O)[O-])cc2)cc(Cl)c1OCc1ccccc1Cl 59536466 OWUZNAOWFDPOTM-YBFXNURJSA-N 469.324 6.943 50 10 JKGE CNC(=O)/C(C#N)=C1\S[C@@H](Cc2cccc(C(F)(F)F)c2)C(=O)N1c1ccc(C(C)C)cc1 101240555 OJWSQEOZJFJDSV-ZNCVUUBVSA-N 473.520 5.001 50 10 JKGE CCCCC1CCC([C@H](Br)c2cc(Br)sc2Br)CC1 109870106 CAUKMAWDMUQOMD-MGULZYLOSA-N 473.112 7.706 50 10 JKGE Cc1cc([C@H](Br)c2cc(Br)c(C)cc2Br)ccc1F 128733785 IFGCRVDQAXMZFV-HNNXBMFYSA-N 450.971 6.452 50 10 JKGE Cc1cc(Br)cc([C@H](Br)c2cc(Cl)c(Br)s2)c1 132020833 RNGARAXZJZWIOE-NSHDSACASA-N 459.428 6.719 50 10 JKGE CCOc1cc(/C=C2\C(=O)N(CCc3ccccc3)C(=O)C(C#N)=C2C)ccc1OCc1ccccc1 214350622 SXXDNDUDXXZMDW-ITYLOYPMSA-N 492.575 5.499 50 10 JKGE CCCCOC(=O)c1ccccc1N/C=C(/C#N)C(=O)Nc1ccc(Oc2ccccc2)cc1 217210420 SZTZVFRGMFOLOX-VXPUYCOJSA-N 455.514 5.894 50 10 JKGE COc1cc(N/C=C(/C#N)C(=O)Nc2ccc(Cl)c(C(F)(F)F)c2)c(OC)cc1Cl 217250474 HKXWYPYLWSPICW-KTKRTIGZSA-N 460.239 5.487 50 10 JKGE CC(C)(C)[C@@H](CCBr)NC(=O)c1ccc(Br)cc1Br 231163255 RSPZPXWGJIAFNF-GFCCVEGCSA-N 456.016 5.141 50 10 JKGE CC(C)Oc1ccc([C@@H](Br)c2cc(Cl)ccc2I)cc1 232670073 KUUGVHYMFRNPMN-MRXNPFEDSA-N 465.556 6.216 50 10 JKGE CCOc1ccc(Br)cc1[C@H](Br)c1cccc(Br)c1F 233784659 HGGYIHSSIHJUDV-CQSZACIVSA-N 466.970 6.234 50 10 JKGE Clc1ccc([C@H](Br)c2csc3c(Br)cccc23)c(Br)c1 236053660 ZFRBAWMEZKNOCK-AWEZNQCLSA-N 495.461 7.564 50 10 JKGE Fc1cc(Cl)c([C@@H](Cl)c2cc(I)ccc2Br)cc1F 236212447 MSJSCADGPCLNFP-ZDUSSCGKSA-N 477.901 6.314 50 10 JKGE Cc1cc(Br)c([C@H](Br)[C@@H]2[C@H](C)O[C@@H](C)[C@@H]2C)cc1Br 251079427 RZSKNRZQWWPXPM-QMMYFYAZSA-N 455.028 6.016 50 10 JKGE CCn1c(SCC(=O)NN=Cc2cccc3ccccc23)nnc1-c1ccc(C(C)(C)C)cc1 254793219 KQTZWCXUMRBAOR-UHFFFAOYSA-N 471.630 5.658 50 10 JKGE CCC(CC)OCC(CBr)(CBr)c1ccc(Br)cc1 388459693 BTLRPLNMRHDRLB-UHFFFAOYSA-N 457.044 5.682 50 10 JKGE Fc1cc(Br)c([C@@H](Br)c2ccc(Br)cc2Cl)c(F)c1F 398716833 GYNGYTYQMSDUAE-NSHDSACASA-N 493.342 6.767 50 10 JKGE CC(C)[C@H](C)/C=C/[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 504636506 UIBBRXVBQYADRW-KYHGKRAPSA-N 477.571 8.072 50 10 JKGE Clc1cnccc1C[C@H](Br)c1scc(Br)c1Br 705465142 QIUFFEONPFHKAA-ZETCQYMHSA-N 460.416 6.000 50 10 JKGE COc1ccc(Oc2ccc(CBr)cc2Cl)cc1I 712919170 JBAOPXHDRRHUPD-UHFFFAOYSA-N 453.501 5.640 50 10 JKGE Cc1cc(Br)c([C@@H](Br)CC(F)(F)C(F)(F)F)cc1Br 713284854 JQCYMENKYRBXCQ-VIFPVBQESA-N 474.887 6.544 50 10 JKGE Clc1cccc(C[C@H](Cl)c2ccc(I)c(Br)c2)c1 721612225 IBOWMUIZFVLLOK-ZDUSSCGKSA-N 455.948 6.230 50 10 JKGE COc1ccc([C@H](Br)c2cccc(F)c2I)cc1Br 721690310 DUSRVAIBMUPCBX-ZDUSSCGKSA-N 499.943 5.686 50 10 JKGE COc1cc(/C=C(\C#N)C(=O)Nc2ccc(C)cc2)cc(Cl)c1OCc1ccc2c(c1)OCO2 1084135647 LEKSZRRGMANCNX-DJKKODMXSA-N 476.916 5.510 50 10 JKGE CC(=NNC(=O)c1ccc(CN2CCC(Cc3ccccc3)CC2)cc1)c1ccc(Cl)cc1 1084630253 BNYTZSWTGZSZLR-UHFFFAOYSA-N 460.021 5.949 50 10 JKGE N#CSc1ccc(NC(=O)Oc2cccc3c(NC(=O)Cc4ccc(Cl)cc4)cccc23)cc1 1858772401 MQAAYSYNTPEOPF-UHFFFAOYSA-N 487.968 6.858 50 10 JKGE CN(C)c1ccc([C@H]2C(C#N)=C(N)Oc3c2c(-c2ccccc2)nn3-c2ccccc2Cl)cc1 1865683357 JRBFMYOJFMRVHT-QHCPKHFHSA-N 467.960 5.477 50 10 JKGE CCCc1nn(Cc2ccccc2Cl)c2c1[C@H](c1c(OC)ccc3ccccc13)C(C#N)=C(N)O2 1865688733 ZLBYOMQPQPULSC-VWLOTQADSA-N 484.987 5.917 50 10 JKGE CCCCCOc1ccc([C@H]2C(C#N)=C(N)Oc3c2c(CCC)nn3Cc2ccc(C)cc2)cc1 1865690239 MIJQIFZERYNMHZ-SANMLTNESA-N 470.617 5.980 50 10 JKGE COc1ccc(OC)c([C@H]2C(C#N)=C(N)Oc3c2c(-c2ccccc2)nn3Cc2ccccc2Cl)c1 1865691962 GGPKYZGBPLMSMA-DEOSSOPVSA-N 498.970 5.487 50 10 JKGE C[C@H]1CN(c2cc(Nc3ccc(SC#N)cc3)nc(C(C)(C)C)n2)C[C@@H](c2ccc(F)cc2)O1 1868342546 VRNKHAKBCNABRT-JTSKRJEESA-N 477.609 6.196 50 10 JKGE CCCc1nc(Nc2ccc(SC#N)cc2)cc(N2C[C@@H](CC)Cc3cc(OC)ccc32)n1 1868388098 FGKVTBRTTQKWRQ-SFHVURJKSA-N 459.619 6.475 50 10 JKGE COc1ccc(/C=C/C(O)=C(\C#N)c2nc(-c3ccc(-c4ccccc4)cc3)cs2)c(OC)c1 1872744194 XXARCEACBMPTSU-DCMFNYHZSA-N 466.562 7.000 50 10 JKGE C[C@@H](Oc1ccc(Cl)cc1Cl)/C(O)=C(\C#N)c1nc(-c2ccccc2Cl)cs1 1872746258 ZTRFJHGWMVHBJL-PFMFLNCGSA-N 451.762 7.030 50 10 JKGE CC[C@H](C)[C@@H](/C(O)=C(\C#N)c1nc(-c2ccc(Cl)cc2)cs1)N1C(=O)c2ccccc2C1=O 1872748454 XYUSBCAUZLEKQR-VVYGKFLPSA-N 477.973 5.967 50 10 JKGE CCOc1ccc(OCC)c(-c2csc(/C(C#N)=C(\O)[C@H]3CC(=O)N(C(C)(C)C)C3)n2)c1 1872755116 YYECYGSFDOOLNW-YUCJCZDXSA-N 455.580 5.047 50 10 JKGE COc1cc(-c2csc(/C(C#N)=C(\O)c3ccc(N(C)C)c([N+](=O)[O-])c3)n2)c(OC)cc1Cl 1872756088 CMEVNMTVVQABSY-STZFKDTASA-N 486.937 5.405 50 10 JKGE Cc1ccc(C(C)(C)C)cc1-c1csc(/C(C#N)=C(O)/C=C/c2ccc(Cl)cc2Cl)n1 1872756386 YGENUZOYYJIHKP-NSSPVPIHSA-N 469.437 8.229 50 10 JKGE COc1ccc(-c2csc(/C(C#N)=C(\O)c3ccccc3C(=O)c3ccccc3)n2)c(OC)c1OC 1872759793 ZTXPMVCAUHQETB-DAFNUICNSA-N 498.560 6.017 50 10 JKGE CCCCCOc1c(Br)cc(/C=C(\C#N)c2nc(-c3ccc(C)cc3)cs2)cc1OC 1872790427 HXJBZRUWXJBDQO-UDWIEESQSA-N 497.458 7.523 50 10 JKGE COc1cc(/C=C(\C#N)c2nc(-c3c[nH]c4ccccc34)cs2)cc(Br)c1O 1872791621 OKJUWWARBHSCQZ-AWNIVKPZSA-N 452.333 5.832 50 10 JKGE COc1cc(OC)c(-c2csc(/C(C#N)=C/c3cccc(Br)c3)n2)cc1Cl 1872793499 CQMZUJFDFJBRDT-AWNIVKPZSA-N 461.768 6.307 50 10 JKGE C[C@@H](CCCl)N(Cc1ccccc1)C(=O)c1scc(Br)c1Br 1915131794 AHTJKIKUAWYCDX-NSHDSACASA-N 465.638 5.933 50 10 JKGE Clc1ccc(I)c(CN2CC[C@@]3(CCC[C@@H]3Br)C2)c1 1918965456 UOKFJNKLNREBGW-GJZGRUSLSA-N 454.577 5.084 50 10 JKGE Cc1c(Br)sc([C@H](Br)C[C@H]2C[C@H]3CC[C@H]2C3)c1Br 1922944949 BFIHRCIFZMOXCV-UKKRHICBSA-N 457.069 6.844 50 10 JKGE Cc1c(Br)sc([C@@H](Br)CC2CCCCCC2)c1Br 1922947197 ZKPSOXQNQQGDGF-NSHDSACASA-N 459.085 7.378 50 10 JKGE Fc1cccc([C@H](Cl)c2c(Br)sc(Br)c2Cl)c1Br 1923038921 LLIMJZHPNTWFOO-QMMMGPOBSA-N 497.836 7.156 50 10 JKGE COc1ccc(Cl)cc1[C@@H](Cl)c1c(Br)sc(Br)c1Cl 1923066061 LHVKKAJMFHWDBR-SECBINFHSA-N 465.421 6.917 50 10 JKGE Cc1ccc(Cl)c([C@H](Br)c2cc(Br)ccc2Br)c1 1925526444 OXYAQLVYMHDOPF-CQSZACIVSA-N 453.399 6.658 50 10 JKGE Cc1cc([C@@H](Br)c2cc(I)sn2)c(C)cc1Br 2007645469 RWWDDMYEQQTOSQ-GFCCVEGCSA-N 486.998 5.611 50 10 JKGE CCc1cc(Br)c([C@H](Br)c2cc(Br)ccc2F)s1 2029232944 NIBXTBYIWICIDZ-GFCCVEGCSA-N 457.000 6.459 50 10 JKGE Brc1sc([C@@H](Br)c2ccccc2OCc2ccccc2)cc1C1CC1 2033632299 IBUKINNANYWRGU-FQEVSTJZSA-N 478.249 7.451 50 10 JKGE N#CC(=Cc1c(-c2ccc(Cl)cc2)nc2sc3c(n12)CCCC3)c1cccc(C(F)(F)F)c1 2040742170 LGRFRTISPAZKPI-UHFFFAOYSA-N 483.946 7.678 50 10 JKGE Fc1cc(Cl)c(Br)cc1[C@H](Br)c1ccc(Br)cc1Cl 2097833995 HRUFSYJPCGEUEO-CYBMUJFWSA-N 491.807 7.142 50 10 JKGE Cc1cc([C@@H](Br)c2cc3c(cc2Br)OCC3)c(Br)s1 2101001676 TWWPVZJDTNHKRI-ZDUSSCGKSA-N 467.020 6.001 50 10 JKGE CC(C)[C@H](CBr)CN(CCCNC(=O)OC(C)(C)C)c1cccc(Br)c1 2106788431 PMMLAZZZZITOGS-MRXNPFEDSA-N 492.296 5.837 50 10 JKGE Cc1c(Br)sc([C@H](Br)[C@H]2CC3(CCCC3)CO2)c1Br 2109981493 XCJCUJSCDQLLEF-MWLCHTKSSA-N 473.068 6.367 50 10 JKGE COc1cc(Br)c(C)cc1[C@H](Br)c1nc(C)sc1Br 2113189420 KNHZSJYZAHUEMN-NSHDSACASA-N 470.024 5.778 50 10 JKGE FC(F)(F)C1([C@H](Br)c2cc(Br)sc2Br)CCCCC1 2116577358 LSLWMGLZGJUERR-SECBINFHSA-N 485.001 7.222 50 10 JKGE Cc1cc(Br)c(CBr)c(Oc2ccc(F)cc2Br)c1 2116823727 DLSMJGZJHTVPBN-UHFFFAOYSA-N 452.943 6.346 50 10 JKGE Cn1nc([C@@H](Br)c2cc(Cl)c(F)cc2Cl)c(Br)c1Cl 2139428726 KTUXTICALCTBAB-QMMMGPOBSA-N 451.348 5.766 50 10 JKGE CCC[C@@H]1CN(Cc2c(Br)cccc2Br)C[C@H]1CBr 2140787980 PAXRRCBZCFRZMY-VXGBXAGGSA-N 454.044 5.455 50 10 JKGE COc1cc(Br)c(C)cc1[C@@H](Br)c1cc(C)ccc1Br 2145958647 AHAYZWYIXNMWPF-INIZCTEOSA-N 463.007 6.321 50 10 JKGE Cc1cc(C)c([C@H](Cl)c2cccc(Br)c2Br)c(C)c1Br 2148750335 LGIFDVNRFUXYOR-MRXNPFEDSA-N 481.453 7.228 50 10 JKGE FC(F)(F)Oc1cccc([C@@H](Br)c2sc(Cl)cc2Br)c1 2154475723 ONAKWRLWNNMWTK-SNVBAGLBSA-N 450.501 6.547 50 10 JKGE Fc1cc(Br)c2nc(CCl)n([C@H]3CCCN(Cc4ccccc4)CC3)c2c1 2160560561 RJJGTCLMAHHUGP-KRWDZBQOSA-N 450.783 5.904 50 10 JKGE Clc1cc(Cl)c(OCc2cc(Br)ccc2Cl)c(CBr)c1 2166830861 IOSAAUPFHQDBBV-UHFFFAOYSA-N 459.392 6.883 50 10 JKGE Cc1cc(C)c([C@H](Br)c2nn(C)c(Cl)c2Br)c(C)c1Br 2167049515 GCQIUTWVYSTBQL-NSHDSACASA-N 485.445 6.008 50 10 JKGE CCCC(CBr)(CCC)CN=[S@@](C)(=O)CC1CC(NC(=O)OC(C)(C)C)C1 2172245860 AUBBHXJRVWANHH-ZVIMNXSKSA-N 467.514 5.369 50 10 JKGE C[C@H](Br)C[C@H]1CCCCCN1Cc1cc(Br)ccc1Br 2175153862 BUOAAAMQERUNIW-SWLSCSKDSA-N 468.071 6.130 50 10 JKGE CN(C)CCCN(Cc1ccccc1)S(=O)(=O)c1ccc(Cl)c(CBr)c1Cl 2179830888 PZUBDWKOQVVMHA-UHFFFAOYSA-N 494.282 5.031 50 10 JKGE COc1cc(C)c([C@H](Br)c2cc(F)cc(Br)c2)cc1Br 2198737599 QTORIXUZMYTVBM-OAHLLOKOSA-N 466.970 6.152 50 10 JKGE Cc1cc(Br)c(C)c([C@@H](Br)c2cc(F)ccc2F)c1Br 2203360343 VWYHHSYVYNOMBG-HNNXBMFYSA-N 468.961 6.591 50 10 JKGE Cc1c(Br)ccc([C@H](Cl)c2ccsc2S(C)(=O)=O)c1Br 2203701147 FIIOECHSEQHPSZ-LBPRGKRZSA-N 458.624 5.313 50 10 JKGE Cc1c(Br)sc([C@H](Br)c2ccccc2I)c1C 2213618245 FFCSOAQOXDJHRW-LLVKDONJSA-N 486.010 6.216 50 10 JKGE Cc1cccc(Br)c1[C@H](Br)c1c(C)sc(Br)c1C 2218798829 BCNZLMWKQUPXCE-ZDUSSCGKSA-N 453.037 6.683 50 10 JKGE Cc1ccc([C@@H](Cl)Cc2sc(Br)c(Br)c2Br)cc1 2222449175 OFVILLGYBURRMH-VIFPVBQESA-N 473.455 6.867 50 10 JKGE Fc1cc(Br)cc2c1nc(CCl)n2C[C@@H]1CC1(Br)Br 2224800323 GQRBWBSJYZHODR-LURJTMIESA-N 475.381 5.183 50 10 JKGE Fc1cc(Br)c(Br)cc1[C@@H](Br)C[C@@H]1CCCOCC1 2225615243 FGRBMAFKWBXWFQ-KOLCDFICSA-N 458.991 5.994 50 10 JKGE Fc1cc(Br)c(Br)cc1[C@H](Br)[C@@H]1CC2(CCC2)CO1 2225619872 OEEXYCDJCYERAW-STQMWFEESA-N 456.975 5.746 50 10 JKGE Cc1ccc([C@@H](Br)c2c(Cl)sc(Br)c2Cl)c(F)c1F 2231339907 GAVWLHIAESHGSP-SSDOTTSWSA-N 450.957 6.888 50 10 JKGE Clc1cc(Br)c([C@H](Cl)Cc2cccc(Br)c2)c(Cl)c1Cl 2232512972 PLQANTADOQRPJY-SNVBAGLBSA-N 477.838 7.694 50 10 JKGE CCCOc1ccc([C@@H](Br)c2cc(Br)c(C)s2)cc1Br 2234476142 WAIUNXJJWBREGA-OAHLLOKOSA-N 483.063 6.855 50 10 JKGE Cc1cc(Br)c([C@H](Br)c2cc(F)cc(F)c2)c(C)c1Br 2235602829 FIQJMEKYEOSARQ-OAHLLOKOSA-N 468.961 6.591 50 10 JKGE Cl[C@H](c1c(Br)sc(Br)c1Br)[C@H]1COC2(CCC2)C1 2257224852 SWRRXOPSDJBGBG-MUWHJKNJSA-N 479.459 6.275 50 10 JKGE Cn1ncc([C@H](Br)c2cc3sc(Br)cc3s2)c1Br 2263558715 JUUNPPHXLFMSRN-JTQLQIEISA-N 471.037 5.706 50 10 JKGE Fc1cc(Br)c([C@@H](Br)c2scc(Br)c2Cl)c(F)c1F 2264604483 DLJZQCFTUWMZNB-SSDOTTSWSA-N 499.371 6.828 50 10 JKGE COc1ccc([C@H](Cl)c2cc(C)ccc2I)cc1I 2269555514 WYVUHEOUYNACIA-HNNXBMFYSA-N 498.529 5.541 50 10 JKGE Cc1sc(C)c([C@@H](Br)Cc2cc(Br)cc(Br)c2)c1C 2277891308 HRPJCKLUPCTFNI-AWEZNQCLSA-N 467.064 6.877 50 10 JKGE Cc1cccc(Br)c1[C@@H](Cl)Cc1cc(Br)cc(Br)c1 2277957405 URFJWEDQYGOUIX-AWEZNQCLSA-N 467.426 6.805 50 10 JKGE Clc1c(Br)csc1[C@@H](Cl)c1cc(Br)cc2c1OCCC2 2279287531 KZSCUNCPWXHESB-NSHDSACASA-N 457.014 6.580 50 10 JKGE Cc1ccc(Br)c([C@@H](Cl)c2c(F)cc(Br)c(F)c2Br)c1 2288351317 DCAQRBFKRYKRBM-CYBMUJFWSA-N 489.379 6.889 50 10 JKGE Fc1cc(Br)c(F)c(Br)c1[C@H](Br)[C@@H]1[C@H]2[C@H]3CC[C@@H](C3)[C@H]21 2288374095 PILIQNCIDSZLJZ-JCMYWTNASA-N 470.977 6.218 50 10 JKGE Fc1cc(Br)c(F)c(Br)c1[C@@H](Br)C[C@@H]1CCC12CCC2 2288484300 RBMUJWKXFZCJBX-IUCAKERBSA-N 472.993 6.896 50 10 JKGE COc1ccc([N+](=O)[O-])cc1-n1c(C)cc(C=C(C#N)C(=O)Nc2cccc(Cl)c2)c1C 2294146924 DBTNKTCYWYGHFF-UHFFFAOYSA-N 450.882 5.210 50 10 JKGE Brc1cc(Br)cc(C[C@H](Br)[C@@]23CCCC[C@@H]2OCC3)c1 2295342869 QIZLPSHSXGQINV-JYJNAYRXSA-N 467.039 5.867 50 10 JKGE N#CC(=CNc1ccc(Cl)c(C(F)(F)F)c1)c1nc(-c2ccc3ccccc3c2)cs1 2296800637 KMGVSPSKFKHKKE-UHFFFAOYSA-N 455.892 7.612 50 10 JKGE COc1cscc1[C@@H](Br)c1ccc(OCc2ccccc2)cc1Br 2299509165 MMRRCEDFTPJORS-IBGZPJMESA-N 468.210 6.583 50 10 JKGE Cn1nc([C@@H](Cl)c2ccc(OCc3ccccc3)cc2Br)cc1Br 2299510598 RHXPXBNWYBZXOV-SFHVURJKSA-N 470.592 5.852 50 10 JKGE CCC[C@@H](CBr)COCc1ccc(I)c(Br)c1 2306305061 PZKWHZFRHQDGAS-NSHDSACASA-N 475.990 5.382 50 10 JKGE N#CC(=Cc1cccc(OCc2ccccc2Cl)c1)C(=O)Nc1cc(Cl)ccc1Cl 2313630605 CNQROOWJFPQXLP-UHFFFAOYSA-N 457.744 6.771 50 10 JKGE COc1cc(C=C(C#N)C(=O)Nc2cc([N+](=O)[O-])ccc2Cl)ccc1OC(=O)c1ccc(C)cc1 2313683507 WKLIAPWXWKGLFS-UHFFFAOYSA-N 491.887 5.330 50 10 JKGE Fc1cc(Cl)c(Br)c(Cl)c1[C@H](Cl)c1ccsc1Br 2313747396 YFBJENIPIVISDH-SECBINFHSA-N 453.385 7.047 50 10 JKGE CC(C)(C1CCCC1)[C@H](Br)c1cc(Br)ccc1OCc1ccccc1 2314453797 ZQKJQNIEMMLRCF-OAQYLSRUSA-N 466.257 7.681 50 10 JKGE N#CC(=C(O)c1ccc(-c2cccc(C(F)(F)F)c2)o1)c1nc(-c2ccc3ccccc3c2)cs1 2314457657 UDTZKAMZWSXMIP-UHFFFAOYSA-N 488.490 8.192 50 10 JKGE Fc1c(Br)cc(Cl)c([C@@H](Cl)c2sccc2Cl)c1Br 2315452504 CTDSEJSULJJOSF-SECBINFHSA-N 453.385 7.047 50 10 JKGE CCCc1ccccc1[C@H](Br)c1sc(Cl)cc1I 2316601069 OOJBZDSIBFGYOY-ZDUSSCGKSA-N 455.586 6.443 50 10 JKGE CC(C)C[C@@H](NC(=O)C(C#N)=Cc1cccc(Br)c1)C(=O)Nc1ccc2ccccc2c1 2329692992 BORYRKJLSKBLPF-XMMPIXPASA-N 490.401 5.679 50 10 JKGE C=CCOc1ccccc1OCC(O)=C(C#N)c1nc(-c2ccc(Br)cc2)cs1 2331260642 ULNJMDYUPNLXTH-UHFFFAOYSA-N 469.360 6.009 50 10 JKGE CC(C)(C)c1ccc(-c2csc(C(C#N)=C(O)CCCCCNC(=O)c3ccccc3)n2)cc1 2331332814 PVCKCSAWUSYLOY-UHFFFAOYSA-N 473.642 6.891 50 10 JKGE N#CC(=C(O)C=Cc1ccc(OCc2ccccc2)cc1)c1nc(-c2ccc(F)cc2)cs1 2331344141 SPZFSZRBJPNPFH-UHFFFAOYSA-N 454.526 7.034 50 10 JKGE COc1ccc(C(C)(C)C)cc1-c1csc(C(C#N)=C(O)c2cccc(Br)c2)n1 2331349491 XTJJAPOGRVFLTP-UHFFFAOYSA-N 469.404 6.829 50 10 JKGE N#CC(=C(O)c1ccc(N2CCCC2)c([N+](=O)[O-])c1)c1nc(-c2ccc(F)c(F)c2)cs1 2331352429 UKTUOVHUGPYYNT-UHFFFAOYSA-N 454.458 5.547 50 10 JKGE CCOc1ccc(C=CC(O)=C(C#N)c2nc(-c3cc(OC)c(Cl)cc3OC)cs2)cc1 2331376926 KTXXMJDLPFTEOS-UHFFFAOYSA-N 468.962 6.385 50 10 JKGE COc1c(Cl)cc(-c2csc(C(C#N)=C(O)C=Cc3ccc([N+](=O)[O-])cc3)n2)cc1Cl 2331397596 QCCZGSRDNOFSRS-UHFFFAOYSA-N 474.325 6.540 50 10 JKGE CCCCOc1c(Br)cc(C=C(C#N)c2nc(-c3ccccc3OC)cs2)cc1OC 2331434666 JVKDQOYRMSJWCR-UHFFFAOYSA-N 499.430 6.833 50 10 JKGE CCOc1cc(C=C(C#N)c2nc(-c3ccc(F)cc3F)cs2)ccc1OCc1ccc(C)cc1 2331436115 IVCHQJOBDAOCAJ-UHFFFAOYSA-N 488.559 7.439 50 10 JKGE CCCCCOc1ccc(C=C(C#N)c2nc(-c3ccc(F)c(F)c3)cs2)cc1OCC 2331462704 GUAWBXZQVQLENF-UHFFFAOYSA-N 454.542 7.120 50 10 JKGE CC1([C@H](Br)c2ccc(OCc3ccccc3)cc2Br)CC(C(F)(F)F)C1 2336045508 WWESHYBRUPQJMN-PJOPYLDSSA-N 492.173 7.443 50 10 JKGE Brc1cc(OCc2ccccc2)ccc1[C@H](Br)[C@@H]1CC2(CCCC2)CO1 2336078510 POOXBIGCFZEJLH-SFTDATJTSA-N 480.240 6.813 50 10 JKGE Cc1ccc(OCc2cc(I)ccc2Br)c(CBr)c1 2341779359 JBVDGRSXYVGYGQ-UHFFFAOYSA-N 495.980 5.836 50 10 JKGE COC1(C(F)F)CC([C@H](Br)c2ccc(Br)cc2Br)C1 2343014114 NTGFGSMGDCRCQI-LGFNHLLRSA-N 462.954 5.708 50 10 JKGE Cc1cc(Br)c(C)c([C@@H](Br)[C@@H]2OC[C@@H]3CCC[C@@H]32)c1Br 2358458553 BURZAWNAYRMBAW-DPDCMNJDSA-N 467.039 6.080 50 10 JKGE Clc1cc(Br)c([C@@H](Br)[C@H]2OC[C@@H]3CCC[C@H]23)c(Cl)c1Cl 2358468441 HUNSTURSWXEQMN-OEXYFOKJSA-N 463.424 6.660 50 10 JKGE BrCc1cc(Br)c(OC[C@H]2OC[C@@H]3CCC[C@H]23)c(Br)c1 2358513365 UBWMTWMZYSTFLP-COPLHBTASA-N 469.011 5.300 50 10 JKGE BrCc1cc(Br)c(OC[C@@H]2CC[C@@H]3C[C@H]2CO3)c(Br)c1 2359051355 VASUSRLZVAUTHV-SDDRHHMPSA-N 469.011 5.300 50 10 JKGE O=S1(=O)CCC[C@H]([C@@H](Br)c2c(F)cc(Cl)c(Br)c2Cl)C1 2360405031 DRIIUPXLUCPFMW-QUBYGPBYSA-N 468.997 5.156 50 10 JKGE FC1(F)C[C@]12CCC[C@@H]([C@H](Cl)c1ccc(OCc3ccccc3)cc1Br)C2 2361196044 UQKUDJWTLVSYIF-TYCQWZJGSA-N 455.770 7.524 50 10 JKGE COc1c(Br)cc(C)c([C@H](Br)c2scc(C)c2C)c1Br 2365198264 ZDCLJCWJODBESA-ZDUSSCGKSA-N 483.063 6.691 50 10 JKGE COc1cc(F)c(F)cc1[C@@H](Br)c1ccc(Cl)cc1I 2365595283 IHJCYRYGRWSSRD-AWEZNQCLSA-N 473.482 5.716 50 10 JKGE CCc1ccc([C@H]2C(C#N)=C(N)N(c3ccc(Br)cc3C)C3=C2C(=O)CC(C)(C)C3)s1 9981510 NOZYNFCOOLSUEQ-JOCHJYFZSA-N 496.474 6.322 50 10 JKGE COc1ccc(/C=N/NC(=O)c2cc3ccccc3cc2O)cc1COc1ccc(Cl)cc1Cl 20258611 IYBPMQZMFQIQJN-IPPBACCNSA-N 495.362 6.204 50 10 JKGE COc1ccc(-c2nnc(SCC(=O)N/N=C\c3ccc(C(C)(C)C)cc3)n2-c2ccccc2)cc1 33089378 BQGSGCONXHTSBY-MIXAMLLLSA-N 499.640 5.483 50 10 JKGE CCCOc1ccc(C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@H]3c2ccccc2Cl)cc1 38651032 CHRNLMIJCSIJIP-DEOSSOPVSA-N 460.917 5.566 50 10 JKGE C=CCOc1ccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4ccccc4Cl)ccc32)cc1 38658014 YAVXDAUPGKSSJE-XMMPIXPASA-N 458.901 5.342 50 10 JKGE Cc1c(C(=O)NN(c2ccccc2)c2ccccc2)oc2c1/C(=N/NC(=O)c1ccccc1F)CCC2 40812430 ZSCZMHQDMVEACL-QFMPWRQOSA-N 496.542 5.681 50 10 JKGE O=C(COc1ccc(Cl)cc1Cl)N/N=C1\C(=O)N(Cc2ccccc2Cl)c2ccccc21 40846314 UUABNLZZAWKGDF-SLMZUGIISA-N 488.758 5.093 50 10 JKGE COc1cc(/C=C(\C#N)c2ccc(Cl)cc2)ccc1OC(=O)COc1ccc(C(C)(C)C)cc1 40851013 VQQLNSYHAORHIN-RCCKNPSSSA-N 475.972 6.695 50 10 JKGE Cc1sc(-n2c(C)cc(/C=C(\C#N)C(=O)NCCc3c[nH]c4ccccc34)c2C)c(C#N)c1C 59104257 STAFGSWDAPOSEZ-WSDLNYQXSA-N 467.598 5.391 50 10 JKGE CCOc1ccc(/C=N/NC(=O)c2ccc(-n3c(C)ccc3-c3ccccc3)cc2)cc1OC 59304518 BEFFTWKWOHNDNR-VUTHCHCSSA-N 453.542 5.624 50 10 JKGE N#C/C(=C\c1cc(Br)ccc1OCc1ccccc1Cl)c1ccc([N+](=O)[O-])cc1 59536474 GAFZALSUXASILX-WOJGMQOQSA-N 469.722 6.654 50 10 JKGE CCc1cc(Br)ccc1NC(=O)/C(C#N)=C/c1c(C)nn(Cc2ccccc2Cl)c1C 59857926 YVLXTNVVLOHQPW-XDHOZWIPSA-N 497.824 6.072 50 10 JKGE Fc1cc(Br)cc([C@@H](Br)c2cc(F)c(Br)cc2F)c1 70474578 WYVSMGRVCFHAJQ-CYBMUJFWSA-N 458.897 6.113 50 10 JKGE COc1ccccc1NC(=O)/C(C#N)=C1\S[C@H](Cc2ccccc2)C(=O)N1c1ccc(C(C)C)cc1 101246504 QSBKQKVGWJVPDI-LVVXZCGBSA-N 497.620 5.884 50 10 JKGE CCOc1ccc(-c2csc(/C(C#N)=C\Nc3ccc(Cl)cc3C(=O)c3ccccc3)n2)cc1 102418732 MICJTOCKBJVBIM-SILNSSARSA-N 485.996 7.070 50 10 JKGE COc1cccc(-c2csc(/C(C#N)=C\Nc3ccc(Cl)cc3C(=O)c3ccccc3)n2)c1 102421649 OKRVATYGDYCYFH-CYVLTUHYSA-N 471.969 6.680 50 10 JKGE C=CCOc1ccc(-c2nn(-c3ccccc3)cc2/C=C(/C#N)c2nc3ccccc3s2)cc1 102859090 QFBKRJQKUCOISZ-FXBPSFAMSA-N 460.562 6.778 50 10 JKGE Cc1c(Br)cccc1[C@H](Br)c1cc(Br)ccc1Br 115161445 PDWYRPNWPLBAOQ-AWEZNQCLSA-N 497.850 6.767 50 10 JKGE Cc1cc(Br)c([C@@H](Br)c2cc(F)c(F)c(F)c2)cc1Br 128818021 BURCQZJAFHLTIZ-ZDUSSCGKSA-N 472.924 6.422 50 10 JKGE O=C1C=Cc2ccccc2/C1=C\NNC(=O)c1ccc(Nc2nc(-c3ccccc3)cs2)cc1 137645002 FGGGIBPLJDIVPP-XQNSMLJCSA-N 464.550 5.425 50 10 JKGE Cc1cc([C@@H](Br)c2ccc(Br)c(Cl)c2)sc1Br 148987519 UAPHIMQNYPZTON-NSHDSACASA-N 459.428 6.719 50 10 JKGE COC(=O)c1c(NC(=O)/C(C#N)=C\c2ccccc2OC)sc(C)c1-c1ccc(F)cc1 206882469 JZDGBLAWQYSIAH-ATVHPVEESA-N 450.491 5.204 50 10 JKGE CCOC(=O)c1c(NC(=O)/C(C#N)=C\c2ccc(OC)c(OC(C)C)c2)sc2c1CC[C@@H](C)C2 209405395 ITMMUEYPLNYXFW-UWCCDQBKSA-N 482.602 5.391 50 10 JKGE CCOc1ccc([C@@H](Br)c2cc(Br)ccc2Cl)cc1Br 228993245 CEMONFWSPHHQBR-OAHLLOKOSA-N 483.425 6.748 50 10 JKGE O=[N+]([O-])c1ccc(Oc2ccc(Br)cc2Br)cc1CBr 232485161 MMAMHPCSNCHBMX-UHFFFAOYSA-N 465.923 5.807 50 10 JKGE C[C@H]1CCC[C@@](CBr)(NC(=O)c2cc(Br)sc2Br)C1 235624551 FIFFRWJIKNPCEM-ISVAXAHUSA-N 474.056 5.347 50 10 JKGE CC(=NNC(=O)c1sc2cc(Br)ccc2c1Cl)c1ccc(Br)s1 252624307 PLICBIILQSQTDL-UHFFFAOYSA-N 492.645 6.295 50 10 JKGE C[C@@H](Sc1nnc(CNc2cccc3ccccc23)n1-c1ccccc1)C(=O)NN=Cc1ccco1 252641558 ZEVNRVUMYSQIFD-LJQANCHMSA-N 496.596 5.257 50 10 JKGE CCOc1cc(C=NNC(=O)COc2ccc(C(C)(C)C)cc2)ccc1OC(=O)c1ccc(F)cc1 254589155 FKDDLJKUGYTEBJ-UHFFFAOYSA-N 492.547 5.270 50 10 JKGE COc1ccc(C=NNC(=O)c2cc(-c3ccccc3)nc3ccccc23)cc1OCc1ccccc1 254606650 IHJFELAJPTWHPO-UHFFFAOYSA-N 487.559 6.253 50 10 JKGE O=S(=O)(c1cc(CCl)sc1Br)N(Cc1ccccc1)Cc1ccccc1 309571674 GZCSEDWLMUEUBB-UHFFFAOYSA-N 470.841 5.641 50 10 JKGE O=C(OCc1ccccc1)N1C[C@H](c2ccc(F)cc2Cl)[C@@H](CI)C1 382686482 FVXPEDWPTAPFQC-YOEHRIQHSA-N 473.713 5.266 50 10 JKGE CC(C)(C)[Si](C)(C)OCCN1CCC[C@H](c2ccccc2CO[Si](C)(C)C(C)(C)C)C1 616618547 ZJXWUDFJOYHNKU-QFIPXVFZSA-N 463.855 7.410 50 10 JKGE CC(C)(C)OC(=O)Nc1ccccc1[C@@H]1COCCN(CCO[Si](C)(C)C(C)(C)C)C1 616659972 HVPQEHBXVBIYRR-IBGZPJMESA-N 450.696 5.471 50 10 JKGE FC(F)(F)C(F)(F)C[C@H](Br)c1cc(I)cc2c1OCC2 713188563 RUSLVYRROYOYOI-VIFPVBQESA-N 471.001 5.250 50 10 JKGE C[C@H](COCc1ccccc1)CC(CBr)(CBr)c1ccc(F)cc1 719445387 YOPRAIBCUZFIFO-INIZCTEOSA-N 458.209 6.096 50 10 JKGE Cc1cccc(COc2ccc(Br)cc2/C=C(/C#N)C(=O)Nc2ccc(C)c(C)c2)c1 1083908281 FHKAXJQNKZLXHD-XKZIYDEJSA-N 475.386 6.499 50 10 JKGE CCOc1cc(C=NNC(=O)c2ccc(Cl)cc2Cl)ccc1OC(=O)c1cccc(C)c1 1084232542 MVXDLJPEZZNVLQ-UHFFFAOYSA-N 471.340 5.684 50 10 JKGE Cc1c(C(=O)N2CCCC[C@@H]2C)oc2c1C(=NNC(=O)c1ccc(-c3ccccc3)cc1)CCC2 1772747233 MLMZIRLVNILVDW-IBGZPJMESA-N 469.585 5.740 50 10 JKGE CC(C)(C)c1ccc([C@@H]2C(C#N)=C(N)Oc3c2c(-c2ccccc2)nn3-c2ccccc2Cl)cc1 1865681943 BHGWGNYTDQAXCU-XMMPIXPASA-N 480.999 6.708 50 10 JKGE Cc1ccc(Cn2nc(C)c3c2OC(N)=C(C#N)[C@H]3c2ccccc2OCc2ccccc2Cl)cc1 1865703000 KLWSGBRTFQRLOA-HHHXNRCGSA-N 496.998 5.999 50 10 JKGE Cc1ccc(C)c(Cn2nc(C)c3c2OC(N)=C(C#N)[C@@H]3c2ccc(OCc3ccccc3C)cc2)c1 1865703019 KWRFHTBMELADII-LJAQVGFWSA-N 490.607 5.962 50 10 JKGE COc1cc(/C=C(\C#N)c2nc3cc(C)ccc3n2C)ccc1OCc1ccc(Cl)c(Cl)c1 1872728161 QJYKBXUQQAWNJD-YBFXNURJSA-N 478.379 6.840 50 10 JKGE N#C/C(=C(O)\C=C/c1ccc2c(c1)OCCO2)c1nc(-c2ccc(Cl)cc2Cl)cs1 1872744970 RHKPLPHSSKOCHB-WZXCQWAVSA-N 457.338 6.394 50 10 JKGE C[C@H](Oc1ccc(Cl)cc1Br)/C(O)=C(\C#N)c1nc(-c2ccccc2Cl)cs1 1872746431 HODVRPNYVGKTIC-UXNQKTKSSA-N 496.213 7.140 50 10 JKGE N#C/C(=C(/O)c1cccc(Oc2ccccc2)c1)c1nc(-c2ccc(Cl)c(Cl)c2)cs1 1872749144 CSXOTOIXOQJDJH-NMWGTECJSA-N 465.361 7.859 50 10 JKGE COc1ccc(-c2csc(/C(C#N)=C(\O)c3ccc4c(c3)C(=O)N(C(C)(C)C)C4=O)n2)cc1F 1872752873 XDVYNWGWFWTFHP-FXBPSFAMSA-N 477.517 5.302 50 10 JKGE Cc1ccc(C(C)(C)C)cc1-c1csc(/C(C#N)=C(\O)COc2ccc(Cl)cc2Cl)n1 1872755723 BQFDZCRMCDYHBH-UZYVYHOESA-N 473.425 7.595 50 10 JKGE COc1c(Cl)cc(-c2csc(/C(C#N)=C(\O)[C@H](C)Oc3ccc(Cl)cc3)n2)cc1Cl 1872755816 HRJANIXTVSXIDR-HSHIVQNRSA-N 481.788 7.039 50 10 JKGE Cc1cc(-c2csc(/C(C#N)=C/c3cc(Br)cc(Br)c3O)n2)ccc1F 1872790717 ASLVDMKMGSSHTG-WLRTZDKTSA-N 494.183 6.552 50 10 JKGE N#C/C(=C\c1ccc(OCc2ccc(Cl)cc2)cc1)c1nc(-c2ccc(Cl)s2)cs1 1872794517 GPNZEINYCMTPDZ-GZTJUZNOSA-N 469.418 7.822 50 10 JKGE CCOc1cc(/C=N/NC(=O)[C@H](CC(C)C)NC(=O)OC(C)(C)C)ccc1OCc1ccccc1 1873793308 IEEOMFGNNSKOPV-YGYFLSRZSA-N 483.609 5.054 50 10 JKGE C[C@@H]1CC[C@@H](Cc2ccc(I)c(Br)c2)[C@@H]1Br 1904327818 AZCGSLQYDFXMPB-DFAYQTQMSA-N 457.975 5.406 50 10 JKGE Fc1cc(Br)c2nc(CCCl)n(C3CC(COCc4ccccc4)C3)c2c1 1912692839 NGLSIHZHRZSDQX-UHFFFAOYSA-N 451.767 5.887 50 10 JKGE C[C@@H](CCBr)N(Cc1ccccc1)Cc1ccc(Br)cc1Br 1915091047 SEFYLXLYXDADDF-AWEZNQCLSA-N 490.077 6.387 50 10 JKGE Cc1c(Br)sc([C@@H](Br)c2cccc(C(F)(F)F)c2)c1Br 1922882262 GSNIMEGETPBYIR-JTQLQIEISA-N 492.980 7.085 50 10 JKGE COc1ccc([C@@H](Br)c2sc(Br)cc2Br)cc1C 1922895058 QUUXAXIPWYLHIT-GFCCVEGCSA-N 455.009 6.074 50 10 JKGE CC[C@]1([C@H](Br)c2sc(Br)c(C)c2Br)CC1(F)F 1922935783 SFCWPDUSIFXLFO-PSASIEDQSA-N 452.984 6.453 50 10 JKGE Cl[C@H](Cc1ccc(Br)cc1)c1sc(Br)cc1Br 1922941276 NYVLLGDJALBTFN-SNVBAGLBSA-N 459.428 6.558 50 10 JKGE Clc1c(Br)sc(Br)c1[C@H](Cl)Cc1cccc(Br)c1 1923038938 LSJWHZROGDJZFN-MRVPVSSYSA-N 493.873 7.212 50 10 JKGE Clc1c(Br)sc(Br)c1[C@H](Br)[C@@H]1C[C@H]2CC[C@H]1O2 1923047183 AXUQMHGENIDLEO-UAKXSSHOSA-N 465.432 5.930 50 10 JKGE Cc1ccc(C[C@@H](Cl)c2c(Br)sc(Br)c2Br)cc1C 1924596349 NHWSMPUSNIZXRS-SNVBAGLBSA-N 487.482 7.175 50 10 JKGE Brc1sc(Br)c([C@H](Br)[C@]23C[C@H](CO2)C3)c1Br 1994623129 WKMWQAMEJDRBGG-WXLWJSHRSA-N 495.856 5.651 50 10 JKGE CCN(CCCOCc1ccccc1)c1cc(Br)cc(F)c1CBr 2004046888 GXFXFWVEXRVJNB-UHFFFAOYSA-N 459.197 5.916 50 10 JKGE Cl[C@@H](c1cccc(OCc2ccccc2)c1)c1ccc(Br)cc1Br 2024295729 UKALBHGFCNREFX-FQEVSTJZSA-N 466.600 7.119 50 10 JKGE COc1cc(Br)c(C)cc1[C@H](Br)c1ccc(Br)s1 2029252650 URZHSUNXCUGGPS-ZDUSSCGKSA-N 455.009 6.074 50 10 JKGE Cc1cc(C)c([C@@H](Br)c2cscc2OCc2ccccc2)c(C)c1Br 2038687201 YJYKTAKFIKNLEV-NRFANRHFSA-N 480.265 7.499 50 10 JKGE CCOc1ccc(Br)cc1[C@H](Br)c1cc(Br)cs1 2052436835 KYKXEQWHHGEVBI-ZDUSSCGKSA-N 455.009 6.156 50 10 JKGE CCn1ncc(Br)c1[C@H](Br)c1cc(C)c(Br)cc1C 2094271318 NZNVGMLPEMJAQP-CYBMUJFWSA-N 451.000 5.529 50 10 JKGE Cl[C@@H](c1c(Br)sc(Br)c1Br)[C@H]1CCn2ccnc2C1 2108963443 VFZBWNIGISHTKA-QUBYGPBYSA-N 489.458 5.775 50 10 JKGE Cn1nc([C@H](Br)c2cc(Br)c(Cl)cc2F)c(Br)c1Cl 2110720531 MXJBHMFTHSZRRU-MRVPVSSYSA-N 495.799 5.875 50 10 JKGE Cc1c(Br)sc([C@@H](Br)Cc2cccc(Cl)c2F)c1Br 2113471999 VXEDGYMGGPPDOI-QMMMGPOBSA-N 491.445 7.053 50 10 JKGE Clc1ccccc1[C@@H](Br)CCc1cccc(Br)c1Br 2113491852 UUBPXNLRCAXMOB-LBPRGKRZSA-N 467.426 6.934 50 10 JKGE C[C@H]1CN(C(=O)c2cc(Br)c(Br)s2)CC[C@H]1CCBr 2115841030 CTPFELDMLFYVQB-DTWKUNHWSA-N 474.056 5.156 50 10 JKGE C[C@@H]1OCC[C@@H]1CC(CBr)(CBr)c1ccccc1Br 2121127551 ZORQJUPZERFZPB-NWDGAFQWSA-N 455.028 5.292 50 10 JKGE Fc1ccc(N2CC[C@@H]3CCN(Cc4ccccc4)C[C@@H]3C2)c(CBr)c1Cl 2148939753 VAIRPDXMKQXYSH-ZWKOTPCHSA-N 451.811 5.722 50 10 JKGE COc1cc(C)c([C@@H](Br)c2csc(Br)c2Br)cc1OC 2150344348 IYEGOTYLMUZTMS-GFCCVEGCSA-N 485.035 6.083 50 10 JKGE Cn1nc([C@H](Br)c2c(Br)cc(F)c(F)c2F)c(Cl)c1Cl 2150723339 NLKLXAMTYREZKE-ZCFIWIBFSA-N 452.883 5.391 50 10 JKGE O=C(Nc1cc(Br)c(Br)c(Br)c1)[C@@H](Cl)c1ccccc1 2151791251 VTWDAIHZRXIKJN-ZDUSSCGKSA-N 482.397 5.893 50 10 JKGE Cc1cc2sc([C@@H](Br)c3cc(Cl)c(Br)cc3F)cc2s1 2156565722 WTWPEHIFLDKPME-AWEZNQCLSA-N 454.611 7.311 50 10 JKGE COc1cc([C@H](Br)c2cc(C)sc2Br)c(OC)cc1Br 2157249275 PVDLWXYRHAZJOC-ZDUSSCGKSA-N 485.035 6.083 50 10 JKGE C[C@@H]1C[C@H](CCC(CBr)(CBr)c2ccccc2Br)CO1 2159284193 BASVPRDJGLDBGU-OLZOCXBDSA-N 469.055 5.682 50 10 JKGE CCc1nc([C@@H](Cl)c2cc(Cl)c(Cl)c(Cl)c2Cl)c(Br)s1 2169489346 BSKOMCLKVDPJTF-QMMMGPOBSA-N 454.431 7.410 50 10 JKGE Cc1ccc([C@@H](Br)c2c(C)c(Br)cc(C)c2Br)cc1C 2201073679 NTUZEZMLPIXKOQ-QGZVFWFLSA-N 461.035 6.930 50 10 JKGE CCc1nc([C@H](Cl)c2cc(Br)c(OC)cc2Cl)c(Br)s1 2202363135 FLOUVIQLXSIYTQ-LLVKDONJSA-N 460.018 6.221 50 10 JKGE O=C(c1cc(Br)c(Br)s1)N1CC[C@@H]2CC[C@@H](Br)C[C@@H]2C1 2204095026 LRFFHNIBAQVXES-IVZWLZJFSA-N 486.067 5.299 50 10 JKGE CCCCCc1ccc([C@@H](Br)c2ccc(I)c(C)c2)s1 2207111266 OGHPMRAWLIOSQA-KRWDZBQOSA-N 463.222 6.878 50 10 JKGE Fc1cc(Br)c(Br)cc1[C@H](Br)c1scc(Cl)c1Cl 2218596973 INNCCDRUQHOCAK-VIFPVBQESA-N 497.836 7.203 50 10 JKGE Fc1ccc2nc(CCl)n(C[C@H]3CC3(Br)Br)c2c1Br 2224802113 UFSFJESPHMTWJD-ZCFIWIBFSA-N 475.381 5.183 50 10 JKGE C[C@@H](Cl)c1nc2cc(Br)c(Br)cc2n1-c1cnn(Cc2ccccc2)c1 2225686055 JGXUZVDOTOTJHY-GFCCVEGCSA-N 494.618 6.095 50 10 JKGE Cc1ccc(I)c([C@@H](Cl)c2cc(Cl)c(Br)cc2F)c1 2232222480 JEUHDKFZDQDXEG-AWEZNQCLSA-N 473.938 6.483 50 10 JKGE Cc1cc(Br)c([C@H](Br)[C@@H]2CC[C@@H]3[C@@H]2C3(F)F)c(C)c1Br 2235599688 NJVGFROJRNZQQZ-ULSKOJAOSA-N 472.993 6.556 50 10 JKGE COc1cc(Br)c([C@@H](Br)c2nn(C)c(Cl)c2Br)cc1C 2236025220 PUPCHYOGKRLSGW-SNVBAGLBSA-N 487.417 5.400 50 10 JKGE Clc1cc(Br)ccc1C[C@H](Br)c1cc2c(s1)CCSC2 2237452084 ABIXKBGHBRVAIB-LBPRGKRZSA-N 452.664 6.632 50 10 JKGE CC1([C@H](Cl)c2c(Br)sc(Br)c2Cl)CC2(CC(F)(F)C2)C1 2238845269 UWJQKTDZFLDOPP-MRVPVSSYSA-N 469.016 7.422 50 10 JKGE Cc1cc(Br)c([C@@H](Cl)Cc2cc(Cl)cc(Cl)c2)cc1Br 2240912160 XPLHMGJRMOIABJ-HNNXBMFYSA-N 457.420 7.349 50 10 JKGE CC(C)[C@H](CCl)N(Cc1ccccc1)C(=O)Cc1cc(Br)cc(Br)c1 2263486083 UXIHCBXXSNZQCN-IBGZPJMESA-N 487.663 6.046 50 10 JKGE COCC1([C@H](Br)c2cc(Br)c(Br)s2)CC(F)(F)C1 2263686974 PCLQUXNNPKEZOT-MRVPVSSYSA-N 468.983 5.771 50 10 JKGE CC(C)CN(C[C@H](C)Br)C(=O)c1c(Br)cccc1Br 2272435155 ACNPFILZNLXUJL-JTQLQIEISA-N 456.016 5.093 50 10 JKGE CC(C)CN(C[C@@H](C)Br)C(=O)c1c(Br)cccc1Br 2272435156 ACNPFILZNLXUJL-SNVBAGLBSA-N 456.016 5.093 50 10 JKGE Clc1ccc(I)cc1O[C@H]1C[C@@H](Br)C12CCCCC2 2272639369 OZZLSCSIOKNCHI-KGLIPLIRSA-N 455.561 5.810 50 10 JKGE Cc1ccc([C@H](Br)c2c(Br)cc(C)c(F)c2C)cc1Br 2279160683 YEZDWEOJJJOWMU-HNNXBMFYSA-N 464.998 6.760 50 10 JKGE Fc1cc([C@H](Br)Cc2ccc(Cl)c(Cl)c2)c(Cl)cc1Br 2282969783 GZTGKYYVMWCRCW-SECBINFHSA-N 461.383 7.227 50 10 JKGE COc1c([C@H](Cl)c2cc(Br)c(Cl)s2)cc(Br)c(C)c1C 2284523024 PCNFVAYKBAXUOG-LBPRGKRZSA-N 459.030 6.880 50 10 JKGE CCC(CC)([C@H](Br)c1ccc(OC)c(I)c1)C(F)(F)F 2285008073 JMKMVAPQLKQRPC-GFCCVEGCSA-N 465.091 6.105 50 10 JKGE C[C@]1(C(F)(F)F)C[C@H]1[C@@H](Br)c1c(F)cc(Br)c(F)c1Br 2288353908 LANBTFIZUPKKFE-LSMXRSANSA-N 486.898 6.514 50 10 JKGE Fc1cc(Br)c(F)c(Br)c1[C@@H](Br)C(F)(F)C1CCCC1 2288366143 ZACXDCPHIFXAMC-GFCCVEGCSA-N 482.935 6.751 50 10 JKGE O=C(Cl)C=Cc1ccc(OCc2ccc(Cl)c(Cl)c2)c(I)c1 2293940934 OJOWAXFKWLLAAM-UHFFFAOYSA-N 467.517 5.956 50 10 JKGE Cc1cccc(Cn2cc(C=C(C#N)C(=O)NCCc3c[nH]c4ccccc34)c3ccccc32)c1 2294172031 VOVHSJQDNZOANS-UHFFFAOYSA-N 458.565 5.745 50 10 JKGE C[C@@H]1C[C@@H](C(F)(F)F)N(CCCCCCCBr)CCN1C(=O)OC(C)(C)C 2294697531 SBWNIEKDRPXZKE-CVEARBPZSA-N 459.391 5.594 50 10 JKGE COc1c(Br)cc(Cl)c(C)c1[C@H](Cl)c1ccc(OCc2ccccc2)cc1 2295282413 AQGQOGHILBNCHL-OAQYLSRUSA-N 466.202 7.327 50 10 JKGE Fc1cc(Cl)cc([C@H](Br)Cc2cc(Br)cc(Br)c2)c1F 2295345969 TUMFILIZCGCGGB-GFCCVEGCSA-N 489.379 6.822 50 10 JKGE COc1c(C)cc(C)cc1[C@@H](Cl)c1cc(Br)ccc1I 2295365820 TXPGDPGEMNHWMD-HNNXBMFYSA-N 465.556 6.007 50 10 JKGE COc1c(Br)cc([C@@H](Cl)c2sccc2I)c(OC)c1C 2295425644 JCFDXQIFPGLXER-LLVKDONJSA-N 487.584 5.769 50 10 JKGE CN(C(=O)c1cc(Br)sc1Br)[C@H](CBr)c1ccccc1 2296330231 RUUWDCAASNRCQG-LLVKDONJSA-N 482.035 5.481 50 10 JKGE Cc1ccc(C[C@@H]2SC(=C(C#N)C(=O)Nc3c(C)cccc3C)N(c3ccccc3)C2=O)cc1 2296507110 UCJSQLXOICPSGB-DEOSSOPVSA-N 467.594 5.677 50 10 JKGE CCOC(=O)c1c(NC(=O)C(C#N)=Cc2c(-c3ccccc3)nc3ccccn23)sc2c1CCCC2 2296791888 LHEGRLNQTXRXGU-UHFFFAOYSA-N 496.592 5.664 50 10 JKGE N#CC(C(=O)NCc1ccco1)=C1S[C@H](Cc2cc(Cl)ccc2Cl)C(=O)N1c1ccccc1 2296834865 UOLHEUCAQYTLRO-OAQYLSRUSA-N 498.391 5.329 50 10 JKGE N#CC(=Cc1ccc([N+](=O)[O-])cc1)C(=O)N1N=C2C(=Cc3ccccc3)CCC[C@@H]2[C@H]1c1ccccc1 2297021089 MYIRVKFXDUJNEP-LMSSTIIKSA-N 488.547 6.325 50 10 JKGE COc1cc(C(=O)C=Cc2ccc(OCCCCCCBr)cc2)cc(OC)c1OC 2297710817 RECUTSHNBPKBNE-UHFFFAOYSA-N 477.395 5.943 50 10 JKGE C[C@H]([C@@H]1CCCO1)[C@H](Br)c1cc(Br)ccc1OCc1ccccc1 2299499922 AVAFHIYGUSIJTE-WNYOCNMUSA-N 454.202 6.279 50 10 JKGE CCCc1sc(Br)cc1[C@H](Br)c1ccsc1Br 2300644848 FSHOGAYQUYKQJK-LLVKDONJSA-N 459.066 6.771 50 10 JKGE N#CC(=Cc1ccc(OCc2ccc(F)cc2)cc1)C(=O)Nc1sc2c(c1C#N)CCCC2 2313630979 YCLJOZJKYIZLJO-UHFFFAOYSA-N 457.530 5.762 50 10 JKGE C[C@@H](c1ccccc1)[C@H](Br)c1cc(Br)ccc1OCc1ccccc1 2314444804 MYMYNNWDBNJOCL-AOMKIAJQSA-N 460.209 7.268 50 10 JKGE CCC[C@H](CC(C)C)[C@H](Br)c1ccc(OCc2ccccc2)cc1Br 2314451929 ITILMDACZZIXAL-GCJKJVERSA-N 468.273 7.927 50 10 JKGE CCCCCOc1ccc(C=C2C(=O)N(CCc3ccc(OC)cc3)C(=O)C(C#N)=C2C)cc1 2314620591 RSKJHLPTCJIPPX-UHFFFAOYSA-N 458.558 5.099 50 10 JKGE CCCCCOc1ccccc1[C@@H]1C(C#N)=C(N)Oc2cc(OC(=O)C=Cc3ccc(C)cc3)ccc21 2314640634 FWFPAJKWIXFZDD-PMERELPUSA-N 494.591 6.401 50 10 JKGE CCOc1ccc(C=C(C#N)C(=O)Nc2ccc(Cl)cc2C(=O)c2ccccc2)cc1OC 2314728847 NTGPQGVMRQEKDE-UHFFFAOYSA-N 460.917 5.524 50 10 JKGE CCOC(=O)c1c(NC(=O)C(C#N)=Cc2ccccc2OC)sc(C)c1-c1ccc([N+](=O)[O-])cc1 2314754095 KOAFSFYZQOOQKR-UHFFFAOYSA-N 491.525 5.363 50 10 JKGE C[C@@H]([C@H](Br)c1c(Cl)cc(Br)c(F)c1Br)C(F)(F)F 2315453037 IZMQNRWVDBGBHH-NOWQDGDBSA-N 477.315 6.639 50 10 JKGE CCCc1ccc([C@H](Br)c2c(Br)c(Br)nn2C)s1 2316725884 KYCWKLSTSREYTQ-VIFPVBQESA-N 457.029 5.443 50 10 JKGE CCN(CCC1(c2ccccc2)CCCCC1)C(=O)C(C#N)=Cc1ccc(Br)cc1 2324505526 OKCRWHYJGYJCQZ-UHFFFAOYSA-N 465.435 6.497 50 10 JKGE COc1ccc([C@H](C)NC(=O)C(C#N)=CNc2ccccc2Sc2ccccc2)cc1OC 2325045202 QXMQPHDUZBAVCK-SFHVURJKSA-N 459.571 5.552 50 10 JKGE CCC1(C)CC(CBr)(Cc2ccc(I)c(Br)c2)C1 2325236879 LWAGHLVLRODAAD-UHFFFAOYSA-N 486.029 6.188 50 10 JKGE CCOc1ccc(C)cc1[C@H](C)NC=C(C#N)C(=O)Nc1ccc(Cl)c(C(F)(F)F)c1 2325382623 HBLPREDTXDJOIB-AWEZNQCLSA-N 451.876 5.763 50 10 JKGE CCOc1ccc(C)cc1[C@@H](C)NC=C(C#N)C(=O)Nc1ccc(Cl)c(C(F)(F)F)c1 2325382624 HBLPREDTXDJOIB-CQSZACIVSA-N 451.876 5.763 50 10 JKGE CCc1ccc(C(C)=CC(=O)N[C@@H](Cc2ccc(F)cc2)C(=O)Nc2ccc(SC#N)cc2)cc1 2329500221 NFKBIEIQEYTFGQ-SANMLTNESA-N 487.600 5.731 50 10 JKGE Cc1nc(NC(=O)C(C#N)=Cc2ccc(Br)cc2)sc1C(=O)Nc1ccccc1 2329663482 HJGBPUNSDBJHAS-UHFFFAOYSA-N 467.348 5.012 50 10 JKGE COc1cc(C=C(C#N)c2ccc(Cl)cc2F)ccc1OCc1ccc(Br)cc1 2331063913 PQYFUOFGCZHGHM-UHFFFAOYSA-N 472.741 6.893 50 10 JKGE CCn1c(C(C#N)=Cc2ccccc2OCc2ccc(Br)cc2)nc2ccccc21 2331071757 JITYXEGSCMPEAP-UHFFFAOYSA-N 458.359 6.462 50 10 JKGE COc1cc(C=CC(O)=C(C#N)c2nc(-c3ccccc3)cs2)cc(Br)c1OC 2331304049 JLEPHEFDYWPLMP-UHFFFAOYSA-N 469.360 6.096 50 10 JKGE CCOc1ccc(-c2csc(C(C#N)=C(O)CCCN3C(=O)c4ccccc4C3=O)n2)cc1 2331305321 QBPWZXFVAOFHQD-UHFFFAOYSA-N 459.527 5.078 50 10 JKGE CCc1cccc(C)c1N1C[C@@H](C(O)=C(C#N)c2nc(-c3ccc4c(c3)OCCO4)cs2)CC1=O 2331330741 DPGCYTGVFVRFRF-IBGZPJMESA-N 487.581 5.298 50 10 JKGE CCOc1ccc(CC(O)=C(C#N)c2nc(-c3cc(OC)c(Cl)cc3OC)cs2)cc1 2331377099 HRYXJDHNWRJUME-UHFFFAOYSA-N 456.951 5.915 50 10 JKGE Cc1cc(C)c(-c2csc(C(C#N)=C(O)c3ccc4c(c3)C(=O)N(C(C)(C)C)C4=O)n2)c(C)c1 2331393006 DXTAHFBCJJJGLM-UHFFFAOYSA-N 471.582 6.080 50 10 JKGE COc1ccc(-c2csc(C(C#N)=C(O)[C@H](C)Oc3ccc(C(C)C)cc3)n2)c2ccccc12 2331406391 HZDVPWFFAUDHGE-SFHVURJKSA-N 470.594 7.355 50 10 JKGE CCCc1ccc([C@H](Br)c2ccc(OCc3ccccc3)cc2Br)cc1 2336044249 MJPYTKPZNAQQRT-QHCPKHFHSA-N 474.236 7.465 50 10 JKGE Fc1c(Br)cc(Cl)c([C@@H](Cl)CC(F)(F)C(F)F)c1Br 2337089326 XTZNRUSCPWYCJK-YFKPBYRVSA-N 450.854 6.575 50 10 JKGE C[C@]1(C(F)F)C[C@@H]1[C@H](Br)c1c(Cl)cc(Br)c(F)c1Br 2337095584 CBTLYULEOBGJIT-RHYIXAIDSA-N 485.363 6.731 50 10 JKGE Clc1ccc(CN2CCC[C@H](CCCBr)C2)cc1I 2337217675 AADPDNFHBDIIJE-LBPRGKRZSA-N 456.593 5.332 50 10 JKGE CC1(C)CN(Cc2ccc(Cl)c(I)c2)C[C@@H]1CCBr 2337221737 SHRRGVFHTUBVCV-LBPRGKRZSA-N 456.593 5.188 50 10 JKGE Cc1cc(Br)c(F)c(Br)c1[C@H](Br)CC1CC(C)(C)C1 2339682253 QIDUYUYXFKQIFE-SNVBAGLBSA-N 457.019 6.921 50 10 JKGE CN(c1c(CCl)ccc(Br)c1Cl)[C@H]1C[C@@H]2C[C@H](OCc3ccccc3)C[C@H]12 2357090581 ZJZMIEPQGCEDSM-JPLJXNOCSA-N 469.250 6.661 50 10 JKGE Cc1cc(Br)c(F)c(Br)c1[C@H](Br)[C@@H]1CC[C@H]2[C@H]1C2(F)F 2365224450 YLFMXXHBIXYFGJ-GJOTXNKNSA-N 476.956 6.386 50 10 JKGE Fc1c(Br)cc(Cl)c([C@H](Cl)[C@H]2C[C@@H](C(F)(F)F)C2)c1Br 2380888578 BPYOJFKFGIPGCH-MIBFAWTQSA-N 458.902 6.873 50 10 JKGE Cc1ccc(C[C@@H]2S/C(=C(C#N)\C(O)=N\c3cccc(C)c3C)N(c3ccccc3)C2=O)cc1 2225017 NIKPCJDOOPWJIM-IDJUBOEBSA-N 467.594 6.326 50 10 JKGE CCOc1ccc(NC(=O)/C(C#N)=C/c2ccc(-c3cc(C(F)(F)F)ccc3Cl)o2)cc1 33567827 AXFUAORJHDTZCE-SDNWHVSQSA-N 460.839 6.563 50 10 JKGE N#CC1=C(N)Oc2cc(OC(=O)c3cccc(Cl)c3)ccc2[C@@H]1c1ccc(Cl)c(Cl)c1 38656025 YGQYTOCNZZZDIR-NRFANRHFSA-N 471.727 6.084 50 10 JKGE CCOc1cccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)COc4ccc(Cl)cc4C)ccc32)c1 40530160 JUKNJTAZJJKTDT-SANMLTNESA-N 490.943 5.250 50 10 JKGE Cc1ccc(C(C)(C)C)c(OCC(=O)N/N=C2\C(=O)N(Cc3ccc(Cl)cc3)c3ccccc32)c1 40846369 WRIJLEGCSZMWOZ-ZXPTYKNPSA-N 490.003 5.392 50 10 JKGE COc1cc(/C=C\C#N)ccc1OC(=O)CCCOc1ccc(C(C)C)cc1Br 41018170 XBTAPHGJIXDSQG-XQRVVYSFSA-N 458.352 5.882 50 10 JKGE CCCOc1ccccc1/C=C(\C#N)C(=O)Nc1scc(-c2ccc(CC)cc2)c1C(=O)OC 41018296 NMHDVIJIXAVNSZ-RCCKNPSSSA-N 474.582 6.099 50 10 JKGE COc1cc(Br)c([C@@H](Br)c2c(Cl)cccc2Cl)cc1OC 109860333 QKSPMQCAAVJMLP-OAHLLOKOSA-N 454.973 6.257 50 10 JKGE CC[C@H](Cl)C(=O)O[C@H]1CC[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 118920963 AYVNXDFYJLGZKZ-RSWCCTJGSA-N 491.200 8.957 50 10 JKGE Brc1cc([C@H](Br)Cc2ccc3ccccc3n2)sc1Br 128613542 JBXBKCBTCHMMAP-LLVKDONJSA-N 476.031 6.500 50 10 JKGE CCOc1ccc([C@H](Br)c2cc(Br)c(C)cc2Br)cc1 128731249 DTYVZIARQBOEHR-INIZCTEOSA-N 463.007 6.403 50 10 JKGE Cc1cc([C@@H](Br)c2cc(Br)c(Br)s2)c(F)cc1F 128879221 HNAWSQJBZQIXKQ-LLVKDONJSA-N 460.963 6.344 50 10 JKGE Cl[C@@H](CCCCCCC[C@@H](Cl)CC(Cl)(Cl)Cl)CC(Cl)(Cl)Cl 200054540 RJDHDMJENXNJDM-PHIMTYICSA-N 459.927 8.453 50 10 JKGE in-vitro COc1cc(/C=C2\C(=O)N([C@@H](C)c3ccccc3)C(=O)C(C#N)=C2C)ccc1OCc1ccc(C)cc1 214344626 OFKQCGGEJBXDIN-PPEIKGMUSA-N 492.575 5.936 50 10 JKGE CCCCCCCOc1ccc(/C=C2\C(=O)N(C3CCCC3)C(=O)C(C#N)=C2C)cc1OCC 214361159 KKPXXVLBKWBQHK-QJOMJCCJSA-N 464.606 5.969 50 10 JKGE COc1ccccc1C[C@@H](Br)c1ccc(I)c(Cl)c1 232386353 MJJGJMWGDMTDCI-GFCCVEGCSA-N 451.529 5.632 50 10 JKGE Fc1cccc(COc2c(Br)cc(CBr)cc2Br)c1Cl 236197572 LOYXDPPLVYFJKJ-UHFFFAOYSA-N 487.388 6.478 50 10 JKGE Fc1cc(Cl)c([C@@H](Br)c2cc(Br)cc(Br)c2)cc1F 236209624 PMBFTSONIFLUON-ZDUSSCGKSA-N 475.352 6.628 50 10 JKGE CCOc1ccc([C@@H](Cl)c2sccc2I)c(Br)c1 311057480 JGYZEIVBEBRPNG-GFCCVEGCSA-N 457.558 5.842 50 10 JKGE C[C@H](Cl)c1nc2cc(I)ccc2n1[C@H]1CCN(Cc2ccccc2)[C@@H]1C 311804673 FLZZVWVYNHHPHS-KHYOSLBOSA-N 479.793 5.776 50 10 JKGE ClCc1nc2c(Br)cccc2n1-c1cc(Br)ccc1Br 312564172 XGFYKKOMPBTQAQ-UHFFFAOYSA-N 479.397 6.052 50 10 JKGE COc1cc(F)c(Br)cc1[C@@H](Br)c1c(C)cccc1Br 313625916 YUTLZKCYMXCWRD-OAHLLOKOSA-N 466.970 6.152 50 10 JKGE Cc1cc([C@H](Br)c2ccc(OCc3ccccc3)cc2)c(C)cc1Br 386444203 QHTMNFOEKMWTIV-JOCHJYFZSA-N 460.209 7.129 50 10 JKGE Cl[C@H](c1cc(Br)c(Br)s1)c1cscc1Br 404850635 QKTSQWSYZRNOKT-QMMMGPOBSA-N 451.430 6.425 50 10 JKGE COCc1cc(Br)c([C@@H](Br)c2cccc(OCc3ccccc3)c2)s1 688072226 ZGCCHSJSTRBIGH-IBGZPJMESA-N 482.237 6.720 50 10 JKGE COc1cccc(C[C@H](Br)c2scc(Br)c2Br)c1 705485870 URPDIZNVPASGQS-JTQLQIEISA-N 455.009 5.960 50 10 JKGE COc1ccc(Br)c(COc2cccc(Br)c2CBr)c1 706855765 QXZPYJWETCDGRV-UHFFFAOYSA-N 464.979 5.694 50 10 JKGE FC(F)c1cscc1[C@H](Br)c1scc(C(F)(F)F)c1Br 717184091 CGGMGYVMYMMAGP-ZETCQYMHSA-N 456.093 7.013 50 10 JKGE Cc1ccccc1CSCC(=O)NN=Cc1c(Br)c(C)n(-c2ccccc2)c1C 725381777 VLHDJKIVMHGKRV-UHFFFAOYSA-N 470.436 5.549 50 10 JKGE O=C(NN=C(CSc1nc2ccccc2[nH]1)c1ccc2ccccc2c1)c1cccc(Cl)c1 1083965794 DKUPORWOLCFNNB-UHFFFAOYSA-N 470.985 6.296 50 10 JKGE COc1ccc(CNC(=O)/C(C#N)=C/c2cn(Cc3ccc(Cl)c(Cl)c3)c3ccccc23)cc1 1084030023 NBPNCXOXIYNPRD-DEDYPNTBSA-N 490.390 6.228 50 10 JKGE CCc1ccc(NC(=O)/C(C#N)=C\c2cn(Cc3ccc(Br)cc3)c3ccccc23)cc1 1084041362 LBBGQTRSNHTCIF-QNGOZBTKSA-N 484.397 6.560 50 10 JKGE CCOc1cc(/C=C(\C#N)C(=O)Nc2cccc(Cl)c2Cl)cc(Cl)c1OCC(=O)O 1084301011 LSIRIEWDQWHTDP-WUXMJOGZSA-N 469.708 5.055 50 10 JKGE Cc1ccc(C(=O)NN=C2CCCc3oc(C(=O)Oc4ccc(Cl)cc4Cl)c(C)c32)cc1 1772744399 CVEIEOMHIBKPTQ-UHFFFAOYSA-N 471.340 5.893 50 10 JKGE CCc1ccc(OC(=O)c2oc3c(c2C)C(=NNC(=O)c2ccc(Cl)c([N+](=O)[O-])c2)CCC3)cc1 1772748965 VCLJIUUFRFGDJE-UHFFFAOYSA-N 495.919 5.402 50 10 JKGE N#CC1=C(N)Oc2c(c(-c3ccccc3)nn2Cc2c(F)cccc2Cl)[C@@H]1c1ccc(O)cc1O 1865681068 DKMCFKYQHOKMHR-JOCHJYFZSA-N 488.906 5.020 50 10 JKGE COc1ccc(-c2nn(-c3cccc4ccccc34)c3c2[C@H](c2ccc(C)cc2)C(C#N)=C(N)O3)cc1 1865685319 GZEWOEHBLIUJLP-HHHXNRCGSA-N 484.559 6.228 50 10 JKGE CCCc1nn(Cc2cccc(Cl)c2)c2c1[C@@H](c1c(Cl)cccc1Cl)C(C#N)=C(N)O2 1865686350 UBPCGABSHRBNHQ-LJQANCHMSA-N 473.791 6.062 50 10 JKGE C=CCOc1ccccc1[C@@H]1C(C#N)=C(N)Oc2c1c(C)nn2Cc1ccc(Cl)c(Cl)c1 1865691350 PVYSQDYPTMBGAR-JOCHJYFZSA-N 467.356 5.330 50 10 JKGE COc1ccc(-c2nn(Cc3ccccc3Cl)c3c2[C@H](c2cccc(OC)c2)C(C#N)=C(N)O3)cc1 1865712311 VIXIBDVMRWVTDL-XMMPIXPASA-N 498.970 5.487 50 10 JKGE CCCc1nn(-c2ccc(Cl)cc2)c2c1[C@@H](c1cccc(OCc3ccccc3)c1)C(C#N)=C(N)O2 1865712349 WFFZRTRDPWQOQZ-SANMLTNESA-N 496.998 6.275 50 10 JKGE COc1ccc2c(c1)C[C@@H](C)CN2c1cc(Nc2ccc(SC#N)cc2)nc(Cc2ccccc2)n1 1868207919 SNGJKGZIVAFBRM-HXUWFJFHSA-N 493.636 6.723 50 10 JKGE CCc1nc(Nc2ccc(SC#N)cc2)cc(N2Cc3cc(OC)c(OC)cc3C(C)(C)C2)n1 1868278294 ZHWLNYSVRHHUOX-UHFFFAOYSA-N 475.618 5.671 50 10 JKGE CCCc1nc(Nc2ccc(SC#N)cc2)cc(N2CCC[C@@H](C(=O)CCCc3ccccc3)C2)n1 1868387902 BWYGSLRQMMZHAT-HSZRJFAPSA-N 499.684 6.554 50 10 JKGE COc1ccc(/C=C(\C#N)c2nc3ccccc3[nH]2)cc1OCc1ccc(Cl)c(Cl)c1 1872727017 YPHVITIGTGPHLH-LICLKQGHSA-N 450.325 6.521 50 10 JKGE N#C/C(=C(/O)c1ccc(Cl)c([N+](=O)[O-])c1)c1nc(-c2ccc(Cl)c(Cl)c2)cs1 1872749484 SWDDMUDGGATASE-BOPFTXTBSA-N 452.706 6.628 50 10 JKGE COc1c(Cl)ccc(Cl)c1/C(O)=C(\C#N)c1nc(-c2ccc(Oc3ccccc3)cc2)cs1 1872753762 LUBXHIVHOPOKCA-NKFKGCMQSA-N 495.387 7.868 50 10 JKGE COc1ccc(-c2csc(/C(C#N)=C(\O)CCCOc3ccccc3Cl)n2)c(C)c1C 1872753928 VCGYDQSLXOKASA-UZYVYHOESA-N 454.979 6.741 50 10 JKGE COc1cc(OC)cc(/C(O)=C(\C#N)c2nc(-c3cc(OC)c(Cl)cc3OC)cs2)c1 1872755129 ZIOIGRQOUPNIRX-PGMHBOJBSA-N 458.923 5.448 50 10 JKGE COc1cc(/C=C/C(O)=C(\C#N)c2nc(-c3ccc(Cl)s3)cs2)ccc1OC(C)=O 1872758215 PTUOMPJYHJTNPK-CGAGPUOUSA-N 458.948 5.965 50 10 JKGE COc1ccc(-c2csc(/C(C#N)=C/c3cc(Br)cc(Br)c3O)n2)cc1 1872780759 KFBDCIIRVBAMAA-AWNIVKPZSA-N 492.192 6.113 50 10 JKGE COc1cc(/C=C(\C#N)c2nc(-c3ccc(OC)c(C)c3C)cs2)ccc1OCc1ccc(C)cc1 1872792973 ARXKYHCUKGNYFQ-ZVHZXABRSA-N 496.632 7.396 50 10 JKGE CCCOc1c(/C=C(\C#N)c2nc(-c3cc(C)c(Cl)cc3OC)cs2)cccc1OC 1872793975 DCGVXHPRMSVMHJ-GZTJUZNOSA-N 454.979 6.642 50 10 JKGE O=C(N[C@H](CBr)[C@H]1CC=CCC1)c1csc(Br)c1Br 1885064691 OKMHSODPPGWUHB-WCBMZHEXSA-N 472.040 5.123 50 10 JKGE COc1cc(C)c([C@@H](Cl)c2scc(Br)c2Br)cc1Br 1901653287 JZNCKTXANKAOCR-GFCCVEGCSA-N 489.454 6.681 50 10 JKGE O=C(c1c(F)cccc1Br)N(Cc1ccccc1)[C@@H](CBr)C1CC1 1915311346 DZWZYFAZQGCMRZ-KRWDZBQOSA-N 455.165 5.404 50 10 JKGE CC1(C)CO[C@@H](C[C@@H](Br)c2c(Br)sc(Br)c2Cl)C1 1923067156 ZDYDVEWFPJSBKM-NKWVEPMBSA-N 481.475 6.568 50 10 JKGE CC(C)CC1([C@@H](Br)c2c(Br)sc(Br)c2Cl)CCCC1 1923068657 VBQRQDAIOYELHA-NSHDSACASA-N 493.530 7.969 50 10 JKGE Cl[C@H](c1c(Br)sc(Br)c1Br)[C@@H]1C[C@H]2C[C@H]1[C@@H]1C[C@H]21 1924569739 ZMWKCHMHVYLIMJ-XPIKJSKISA-N 475.471 6.608 50 10 JKGE C[C@@H]1C[C@H]([C@@H](Br)c2c(Br)sc(Br)c2Br)CO1 1924580388 RJQLMZVZSINGFO-JCGDXUMPSA-N 497.872 5.897 50 10 JKGE Cl[C@H](c1c(Br)sc(Br)c1Br)C1[C@H]2CCCC[C@H]12 1924583217 HIXCGGZIMBMIKJ-VGIXGZPDSA-N 463.460 6.752 50 10 JKGE CC1(C)[C@H]2CC[C@@H](C2)[C@@H]1[C@@H](Br)c1cc(Br)c(Br)s1 2029601155 SSWTYSZAVFEBNO-MMSPYSMKSA-N 457.069 6.781 50 10 JKGE Clc1ccc([C@H](Br)c2c(Br)cccc2Br)cc1Cl 2033083472 DQXRQVSOKXPDMX-ZDUSSCGKSA-N 473.817 7.003 50 10 JKGE FC1(F)[C@@H]2COC[C@@]21[C@H](Br)c1c(Br)sc(Br)c1Cl 2043518086 CIUUSAQSYDGWIE-FROZIPMSSA-N 487.385 5.644 50 10 JKGE Cc1c(Cl)cc([C@@H](Br)c2cc(Br)c(Cl)s2)cc1Br 2048503864 PYYWYUOOAWCMNS-LLVKDONJSA-N 493.873 7.373 50 10 JKGE C=C1C(=O)O[C@@H]2C[C@@H]3[C@]4(C)CC[C@H]([C@H](C)CCC=C(C)C=O)[C@]4(C)CC[C@]34C[C@]4(CCC(=O)OC)[C@H]12 2053639156 FPFAZZFTBDKRJL-BLJYYNTASA-N 496.688 6.212 50 10 JKGE CO[C@H]1C[C@H]([C@H](Br)c2sc(Br)cc2Br)C[C@H]1OC 2054483669 TZPTWZWWKHISQQ-FGGBMERFSA-N 463.029 5.149 50 10 JKGE Brc1cc([C@H](Br)c2cccc(OCc3ccccc3)c2)cc2c1OCC2 2090470117 LEKUYQYVIBLDCF-OAQYLSRUSA-N 474.192 6.447 50 10 JKGE COC[C@]1([C@@H](Br)c2cc(Br)c(C)cc2Br)CCCO1 2090694153 WEIZNGVGBOPTBR-KBPBESRZSA-N 457.000 5.152 50 10 JKGE ClCc1ccc(Br)cc1OCc1ccc(Br)cc1Br 2092264904 FMZWGEVAJCSMSQ-UHFFFAOYSA-N 469.398 6.292 50 10 JKGE Cc1cc(Br)c([C@H](Br)[C@@H]2C[C@H]3[C@@H](C2)C3(C)C)cc1Br 2093575219 JNNPVUDINWKVMY-JDTTZNEISA-N 451.040 6.638 50 10 JKGE FC1(F)C[C@]12CCC[C@@H]([C@H](Br)c1sc(Br)cc1Br)C2 2099907011 DUYARXPQBDQDGR-INNHCVQGSA-N 479.022 6.925 50 10 JKGE Brc1cccc(CN2C[C@@H]3CCC[C@H](C2)C3Br)c1Br 2111479531 LNYXJMPCTPCGBI-BVUQATHDSA-N 452.028 5.207 50 10 JKGE Cn1cnc(Cl)c1COc1c(Br)cc(CBr)cc1Br 2111945500 ADWPQOWEIZSCQU-UHFFFAOYSA-N 473.390 5.072 50 10 JKGE Cc1cc(Br)c(CBr)c(N2CC[C@H]3CN(Cc4ccccc4)C[C@@H]3C2)c1 2116826672 VUMIGTDEMHRUGV-RBUKOAKNSA-N 478.272 5.611 50 10 JKGE O=S(=O)(c1c(CBr)sc2ccccc12)N(Cc1ccccc1)C1CCC1 2123249080 ZGOZVLTVFMLXTM-UHFFFAOYSA-N 450.423 5.540 50 10 JKGE Cc1cc(Br)c([C@H](Br)[C@H]2C[C@@H]3CCC[C@@H]3C2)cc1Br 2127057263 WAFWAPHILALUDD-AZKPJATDSA-N 451.040 6.782 50 10 JKGE Cc1cc([C@@H](Br)c2c(Br)cc(F)c(Cl)c2F)oc1Br 2136962813 ZLNYHJAODUUGKC-SECBINFHSA-N 479.340 6.529 50 10 JKGE BrCc1cc(Br)c(OC[C@H]2CC[C@H]3C[C@H]2CO3)c(Br)c1 2144243062 VASUSRLZVAUTHV-WOPDTQHZSA-N 469.011 5.300 50 10 JKGE Fc1cc(Br)c(Cl)cc1[C@@H](Br)c1ccsc1C(F)(F)F 2157644239 IAPFYWZORLVPSX-JTQLQIEISA-N 452.492 6.806 50 10 JKGE C[C@H](Cl)c1nc2cc(Br)c(Cl)cc2n1C[C@H]1CCCN1Cc1ccccc1 2160079601 QWDPGJJUKVVNON-GOEBONIOSA-N 467.238 6.417 50 10 JKGE CC(C)(C)C1CCC([C@@H](Br)c2ccc(Br)cc2Br)CC1 2203684103 GDBUSAPZNGRTSX-ZEPSKSRBSA-N 467.083 7.500 50 10 JKGE CCc1nn(C)c([C@@H](Cl)c2ccc(Br)c(C)c2Br)c1Br 2203685801 RHDUCVPDQSMWCO-ZDUSSCGKSA-N 485.445 5.907 50 10 JKGE ClCCc1nc2cc(Br)c(Br)cc2n1CCOCc1ccccc1 2213527376 SRRYBSSKTFNLSE-UHFFFAOYSA-N 472.608 5.559 50 10 JKGE Sc1nc2cc(Br)c(Br)cc2n1C[C@H]1C[C@@H](Br)C1 2218592790 VSWZMYPHWQOAAG-KNVOCYPGSA-N 455.013 5.024 50 10 JKGE Cc1cc([C@@H](Cl)c2c(Br)cc(Cl)c(Cl)c2Cl)c(Br)s1 2224302468 LYCKTHURSKANJL-SECBINFHSA-N 483.867 7.870 50 10 JKGE Fc1cccc([C@@H](Br)c2c(Br)cc(Cl)c(Cl)c2Cl)c1F 2232514531 VMWQTJXIYJTVNO-SNVBAGLBSA-N 465.346 7.172 50 10 JKGE Cc1cc([C@H](Cl)c2c(F)cc(F)c(Br)c2F)ccc1I 2236106938 FHQYECOHZYHCCJ-ZDUSSCGKSA-N 475.473 6.108 50 10 JKGE Cc1ccc([C@@H](Br)c2ccc([C@@H]3CCOC3)s2)cc1I 2240443135 BMMMWFQSNVKDQN-MLGOLLRUSA-N 463.178 5.649 50 10 JKGE CC(C)CCC[C@H](C)CCO[C@@H]1CN(C(=O)OC(C)(C)C)C[C@H]1I 2248820065 AQZLJZCZPWVOQZ-GVDBMIGSSA-N 453.405 5.278 50 10 JKGE C[C@](CBr)(O[C@@H]1CCN(Cc2ccccc2)C1)c1ccccc1Br 2250385562 HCBRSOXAIXGMBB-YLJYHZDGSA-N 453.218 5.350 50 10 JKGE BrC[C@@H](OC1CCN(Cc2ccccc2)CC1)c1ccc(Br)cc1 2250386874 MKZWXDUGLXLBJE-HXUWFJFHSA-N 453.218 5.566 50 10 JKGE Brc1cc(Br)c([C@@H](Br)C[C@H]2CCCCC23CC3)s1 2253858167 TXOFRKHFROFAQT-ZJUUUORDSA-N 457.069 7.070 50 10 JKGE COc1c(Br)cc(Cl)c(C)c1[C@@H](Br)C1CC(Br)C1 2263447995 HSBYDPZASGBRDR-TYAJBCFHSA-N 461.419 6.029 50 10 JKGE Clc1c(Br)csc1[C@@H](Br)c1cc(Br)c2c(c1)CCO2 2264609491 LWDPFDDXOJKLNQ-JTQLQIEISA-N 487.438 6.346 50 10 JKGE Fc1cc(Br)c(Cl)cc1[C@@H](Br)c1cccc(Cl)c1Br 2267971308 KVONHVJZWAYKAP-LBPRGKRZSA-N 491.807 7.142 50 10 JKGE C[C@@H]1O[C@H](C)C[C@@H]1[C@@H](Br)c1c(F)cc(Br)c(F)c1Br 2272739568 MURJHJFOHPDDCQ-WAYXCLAOSA-N 462.954 5.739 50 10 JKGE Fc1cc(Br)c(F)c(Br)c1[C@H](Br)[C@]12CCOC[C@H]1C2 2272848104 RQZJQUXOLMIHJV-GBRJYTSESA-N 460.938 5.352 50 10 JKGE Brc1cc(Br)cc(C[C@H](Br)C[C@H]2C[C@H]3CC[C@H]2C3)c1 2277960171 FIUCLRQMWMHRPH-DEQVHRJGSA-N 451.040 6.344 50 10 JKGE COc1c(Br)cc(Cl)cc1[C@H](Cl)c1cccc(F)c1I 2279036745 JFBUDOOYNHGOGS-GFCCVEGCSA-N 489.937 6.183 50 10 JKGE FC(F)[C@@H]1CCC[C@H]1[C@@H](Br)c1cc(I)cc2c1OCC2 2285650307 MXWGJIFFGANION-NQBHXWOUSA-N 457.096 5.344 50 10 JKGE COc1ccc([C@H](Br)c2cc(Br)c(F)cc2C)c(Br)c1 2285983286 DNAPVQWWHLCJIT-HNNXBMFYSA-N 466.970 6.152 50 10 JKGE CC1(C)CC12CC([C@@H](Br)c1c(F)cc(Br)c(F)c1Br)C2 2288481956 BYCSHCASVSZLAF-PSYFVYSPSA-N 472.993 6.752 50 10 JKGE CC1(C)CCC[C@H]([C@H](Br)c2c(F)cc(Br)c(F)c2Br)O1 2288489619 WHJRMWBMNHVTEC-KOLCDFICSA-N 476.981 6.274 50 10 JKGE N#CC(=Cc1cccc(OCc2ccc(Br)cc2)c1)S(=O)(=O)c1ccccc1 2293030974 ZYWFIWQVRAPUGG-UHFFFAOYSA-N 454.345 5.366 50 10 JKGE C[C@@H]1CCCC[C@@H]1[C@@H](Br)c1ccc(OCc2ccccc2)cc1Br 2299504900 RCXGGPWBFOFUBN-FYINFDKHSA-N 452.230 7.290 50 10 JKGE CCCC1=NN(c2ccc(F)cc2)C(=O)C1=C(C)NNC(=O)C(c1ccccc1)c1ccccc1 2313682083 UUYOGJDOPTXCBD-UHFFFAOYSA-N 470.548 5.055 50 10 JKGE COc1cccc2cc(-c3nn(-c4ccccc4)cc3C=C(C#N)C(=O)NCc3ccccc3)oc12 2314450666 KJWXJVYGLCCKNE-UHFFFAOYSA-N 474.520 5.517 50 10 JKGE CC1=C(C#N)C(=O)N(Cc2ccccc2Cl)C(=O)C1=Cc1ccc(-c2cccc([N+](=O)[O-])c2)o1 2314619946 HPDPEVIQUWFWCK-UHFFFAOYSA-N 473.872 5.301 50 10 JKGE COc1cc(C=C(C#N)c2ccccc2OC)ccc1OC(=O)c1ccccc1Br 2320506382 IJALJGWRNRSNDP-UHFFFAOYSA-N 464.315 5.750 50 10 JKGE COc1cc(C(=O)Oc2ccc(C=C(C#N)c3ccccc3)cc2)c(Br)c(OC)c1OC 2320507405 XVHXCBMQPBYRDG-UHFFFAOYSA-N 494.341 5.758 50 10 JKGE CCOc1cc(C=C(C#N)c2ncccc2[N+](=O)[O-])ccc1OCc1c(Cl)cccc1Cl 2331059506 JJLDBJHRTRZJEJ-UHFFFAOYSA-N 470.312 6.338 50 10 JKGE CCOc1ccc(-c2csc(C(C#N)=C(O)c3cccc(OC(C)=O)c3)n2)c(OCC)c1 2331386925 DBURHEZXRJNNOY-UHFFFAOYSA-N 450.516 5.483 50 10 JKGE CCOc1ccc(-c2csc(C(C#N)=C(O)c3cc(OC)c(OC)cc3[N+](=O)[O-])n2)c(OCC)c1 2331389041 KQYLWGUXSNRDMX-UHFFFAOYSA-N 497.529 5.483 50 10 JKGE CC[C@H](C)N1C(=O)c2ccc(C(O)=C(C#N)c3nc(-c4cc(C)c(OC)cc4C)cs3)cc2C1=O 2331402868 ZVSWLTKIHGHBHD-INIZCTEOSA-N 487.581 5.780 50 10 JKGE COc1cc(C)c(-c2csc(C(C#N)=Cc3ccc(OC(=O)c4ccccc4)cc3)n2)cc1C(C)C 2331464135 BIRZTRYZGKSNAP-UHFFFAOYSA-N 494.616 7.534 50 10 JKGE CCCCOc1ccc(C(=O)Nc2sc(C(C)=CC#N)c(C)c2C(=O)OC)cc1OCC 2331562119 HODVDARAPFUEPC-UHFFFAOYSA-N 456.564 5.600 50 10 JKGE Fc1cc(Br)c(F)c(Br)c1[C@H](Br)[C@@H]1C[C@H]2CC[C@@H]1O2 2334739313 BJMYIYRNQKQWIU-GMVJNNPSSA-N 460.938 5.493 50 10 JKGE Cn1cnc(Br)c1[C@@H](Br)c1c(F)cc(Cl)c(Br)c1Cl 2337317558 QDJSWCRWNBXVNA-QMMMGPOBSA-N 495.799 5.875 50 10 JKGE CC(C)Cc1ccccc1[C@@H](Br)c1sc(Cl)cc1I 2338631677 ZPBOOGPFPFSOKJ-CQSZACIVSA-N 469.613 6.689 50 10 JKGE C[C@@H]1CCC[C@]12[C@H](Cl)C[C@H]2Oc1cc(Br)cc(I)c1 2338756690 BZPKKBQBEBDNLK-SEWBAHNZSA-N 455.561 5.619 50 10 JKGE Clc1ccc(CN2C[C@H](Br)C3(CCCC3)C2)c(I)c1 2341059375 KISPOEBAMQCFNB-AWEZNQCLSA-N 454.577 5.084 50 10 JKGE CC[C@H]1CC[C@H]([C@@H](Br)c2c(Cl)cc(Br)c(F)c2Br)CC1 2362229023 HHXMAGBKSGOMTG-JRKPZEMJSA-N 491.464 7.657 50 10 JKGE Fc1cc(Cl)ccc1[C@H](Cl)c1c(Cl)cc(Br)c(F)c1Br 2362237631 GHYQVSVZGPRPQC-LBPRGKRZSA-N 465.346 7.125 50 10 JKGE CCOc1ccc(C)cc1[C@H](Br)c1c(Br)c(Br)nn1C 2364062580 ANQMXINLPGQAKP-NSHDSACASA-N 466.999 5.137 50 10 JKGE Cc1cc(Br)c(F)c(Br)c1[C@@H](Br)C1CC(C2CCC2)C1 2365191621 PRAAVILACKSKMS-MGULZYLOSA-N 469.030 6.921 50 10 JKGE Clc1ccc(CN2CCC[C@]3(CBr)CCC[C@@H]23)c(I)c1 2366700447 XQYZIUOCIOJWGD-CVEARBPZSA-N 468.604 5.474 50 10 JKGE ClC[C@H](Cc1cccc(Cl)c1)Cc1ccc(I)c(Br)c1 2377330071 OIMFLKDHPCONTO-CYBMUJFWSA-N 484.002 6.347 50 10 JKGE Clc1ccc(I)cc1CN1CCC[C@]2(CBr)CCC[C@@H]12 2380508361 GJEQDHVPUWTYTG-CVEARBPZSA-N 468.604 5.474 50 10 JKGE Clc1ccc(I)cc1CN1CCC2(CCC(Br)CC2)C1 2380509109 LTIQXOOZRBUVMQ-UHFFFAOYSA-N 468.604 5.474 50 10 JKGE CC(C)(C)c1ccc(OCC(=O)N/N=C/c2cccc(Cl)c2Cl)c(Br)c1 12403435 AOGFYHKBMRTDHR-AUEPDCJTSA-N 458.183 5.583 50 10 JKGE CC(C)c1ccc(NC(=O)/C(C#N)=C/c2cc([N+](=O)[O-])ccc2OCC(=O)Nc2ccccc2)cc1 35519610 HNWPZAZBJAPJDO-KGENOOAVSA-N 484.512 5.281 50 10 JKGE CSc1ccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)Cc4cccc5ccccc45)ccc32)cc1 38682458 RYKZFRBYQBDTDI-NDEPHWFRSA-N 478.573 5.928 50 10 JKGE CCc1ccc2oc(C(=O)Oc3ccc4c(c3)OC(N)=C(C#N)[C@H]4c3ccc(Cl)cc3)c(C)c2c1 38687788 LNGBIUKWODRJCA-VWLOTQADSA-N 484.939 6.394 50 10 JKGE Cc1ccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4oc5ccc(Cl)cc5c4C)ccc32)cc1 40530253 QIEOICKGUPWOCH-DEOSSOPVSA-N 470.912 6.140 50 10 JKGE CCOc1cc(/C=N/NC(=O)CSc2nc(-c3ccc(Cl)cc3)cs2)ccc1OC(C)C 40924898 WEMISYGMYGBKHF-BRJLIKDPSA-N 490.050 5.892 50 10 JKGE CC(C)c1cc(Br)ccc1OCC(=O)N/N=C/c1ccc(OCc2ccccc2)cc1 40950933 RRNJTIXNMATNHO-JFLMPSFJSA-N 481.390 5.681 50 10 JKGE COc1cc(/C=C(/C#N)C(=O)Nc2ccc(C)cc2)cc(Cl)c1OCc1cccc(F)c1 59335347 SRNWLHXXVGPQMQ-GRSHGNNSSA-N 450.897 5.921 50 10 JKGE Cc1nn(C)c(C[C@@H](CBr)Cc2ccc(Br)cc2)c1Br 97183188 NJSWIDVXXCGATQ-LBPRGKRZSA-N 465.027 5.050 50 10 JKGE CC1=C(C#N)C(=O)N(CCc2ccccc2)C(=O)/C1=C/c1ccc(-c2ccc(Br)cc2)o1 101338212 KDPDFLCNNYQNOT-PXLXIMEGSA-N 487.353 5.544 50 10 JKGE COc1cc(/C=C2/C(=O)N(C3CCCCC3)C(=O)C(C#N)=C2C)ccc1OCc1ccccc1F 101339118 QGAUDBMTQIZVSR-HYARGMPZSA-N 474.532 5.338 50 10 JKGE Brc1cc([C@H](Br)[C@H]2CCCc3ccccc32)c(Br)s1 109870169 UMSBYOFXQXKCEA-SMDDNHRTSA-N 465.048 6.829 50 10 JKGE Clc1ccc(CC(CBr)(CBr)c2ccccc2Cl)cc1Cl 118877880 LDLQVTXZRRFIAM-UHFFFAOYSA-N 471.447 6.917 50 10 JKGE CCOc1ccc(Br)cc1[C@@H](Br)c1c(F)cccc1Br 161204309 NTYDCTYDEKLITR-OAHLLOKOSA-N 466.970 6.234 50 10 JKGE CCOc1cc(Cl)c([C@@H](Br)c2cc(Br)ccc2C)cc1Cl 164557857 DHBVJHKZRPJWMA-INIZCTEOSA-N 453.001 6.947 50 10 JKGE O=C(N/N=C\c1cccc(OCc2ccc(Cl)cc2)c1)c1ccc2[nH]c3c(c2c1)CCCC3 169890051 LLFDJONBVHQKHS-MWLSYYOVSA-N 457.961 6.043 50 10 JKGE CCOC(=O)c1c(NC(=O)/C(C#N)=C\c2ccc(-c3ccccc3)o2)sc2c1CC[C@H](C)C2 209397693 BFRFFLPYKWTZNC-IYWFSZBXSA-N 460.555 5.855 50 10 JKGE N#C/C(=C/c1ccc(OC(=O)/C=C\c2ccccc2)cc1)c1nc(-c2ccc(F)cc2)cs1 210604401 KXIHIYPHIYFBLC-NSUIMQKGSA-N 452.510 6.632 50 10 JKGE COc1cc(Cl)c(C)cc1N/C=C(/C#N)C(=O)Nc1ccc(I)cc1C 217254285 OLAPOXYCTYHHLO-RAXLEYEMSA-N 481.721 5.028 50 10 JKGE CCOc1ccc([C@H](Br)Cc2cccc(Br)c2)cc1Br 228992375 OUZLCQFYBXZVFN-CQSZACIVSA-N 463.007 6.289 50 10 JKGE Clc1ccc(Cl)c([C@@H](Cl)c2cc(Br)ccc2I)c1 236039220 LNUWCIVDXUATSQ-CYBMUJFWSA-N 476.366 6.689 50 10 JKGE C[C@@H](Br)C[C@@H]1CCCCCN1C(=O)c1cc(Br)c(Br)s1 312860320 QRAPIOXATOWYOD-ZJUUUORDSA-N 488.083 5.831 50 10 JKGE C[C@H](Cn1c(CCl)nc2cc(I)c(F)cc21)N(C)Cc1ccccc1 390481982 LUCMKFYDWYACOP-CYBMUJFWSA-N 471.745 5.039 50 10 JKGE COC1CCC(Oc2c(Br)cc(Br)cc2CBr)CC1 686319136 IQKDFCYCQKJODI-UHFFFAOYSA-N 457.000 5.443 50 10 JKGE CCn1cc([C@@H](Br)c2cc(Br)c(F)cc2OC)nc1Br 698393190 VBPHJMSOZVMFGO-LBPRGKRZSA-N 470.962 5.060 50 10 JKGE Fc1ccc2nc(CCl)n(-c3cccc(I)c3)c2c1Br 701607439 FQNATTOAXAHPTI-UHFFFAOYSA-N 465.491 5.271 50 10 JKGE O=C(c1scc(Br)c1Br)N1[C@H]2CC[C@H]1CC(CBr)C2 719200602 UTNVIIFGKSHIJZ-IUCAKERBSA-N 472.040 5.051 50 10 JKGE Clc1cccc(CC(CBr)(CBr)c2ccccc2)c1Br 719389149 FRSSJIJAZPULJS-UHFFFAOYSA-N 481.453 6.373 50 10 JKGE Cc1ccc([C@H](Br)c2csc(I)c2)c(C)c1Br 719567288 PCCGQCHFXSQNGA-CYBMUJFWSA-N 486.010 6.216 50 10 JKGE O=C(NCCc1cccs1)[C@@H](c1cccs1)N(C(=O)CCl)c1cccc(C(F)(F)F)c1 725237157 AIAHWRGYTJNJDG-LJQANCHMSA-N 486.968 5.500 50 10 JKGE O=C(c1cccnc1)N(Nc1ccc(Oc2cc[nH]c3nccc2-3)c(F)c1)c1ccc(F)cc1F 725445921 PKJAEVVHBAPBMS-UHFFFAOYSA-N 475.430 5.793 50 10 JKGE O=C(CCCSc1ccccn1)NN=C(Cc1ccccc1)c1ccc(-c2ccccc2)cc1 1084120395 KCAZYLFPCCCJHI-UHFFFAOYSA-N 465.622 6.384 50 10 JKGE CCCOc1ccc(C=NNC(=O)c2ccc(CSc3ccc(Cl)cc3)cc2)cc1OCC 1084192485 DZQPGXYEIJVJDD-UHFFFAOYSA-N 483.033 6.584 50 10 JKGE Cc1ccc(NC(=O)C(=O)NN=Cc2cccc(OCc3ccc(Cl)cc3Cl)c2)cc1C 1084247804 FOVLBAHKGZPCPF-UHFFFAOYSA-N 470.356 5.278 50 10 JKGE Cc1ccc(-n2c(C)cc(C=NNC(=O)c3ccc(CSCc4ccccc4)cc3)c2C)cc1C 1084340458 YXMZESFLAPIWRP-UHFFFAOYSA-N 481.665 6.908 50 10 JKGE Cc1ccc(COc2ccc(C=NNC(=O)CC[C@H](O)c3ccccc3)cc2Br)cc1 1084396465 GKEZKERUPYDMQG-QHCPKHFHSA-N 481.390 5.300 50 10 JKGE Cc1cc(OCC(=O)NN=Cc2cc(Br)ccc2OCc2ccccc2)ccc1C(C)C 1772754108 PCFBYAYOYPLBMW-UHFFFAOYSA-N 495.417 5.989 50 10 JKGE N#CSc1ccc(NC(=O)Nc2ncccc2OCC(=O)Nc2cc(Cl)ccc2Cl)cc1 1858831380 SVDCWKYTOPCMJP-UHFFFAOYSA-N 488.356 5.623 50 10 JKGE CCCn1nc(-c2ccccc2)c2c1OC(N)=C(C#N)[C@H]2c1cc(Br)c(O)c(OCC)c1 1865688639 XOVBGTTZKDVVGT-LJQANCHMSA-N 495.377 5.045 50 10 JKGE CCOc1ccc([C@H]2C(C#N)=C(N)Oc3c2c(C(F)(F)F)nn3Cc2cc(C)ccc2C)cc1OC 1865695080 JJFFXIRWBVRMSO-NRFANRHFSA-N 498.505 5.193 50 10 JKGE CCN(CC)c1ccc([C@@H]2C(C#N)=C(N)Oc3c2c(-c2ccccc2)nn3Cc2ccccc2F)cc1 1865702388 URPLKYJLECCNSR-AREMUKBSSA-N 493.586 5.802 50 10 JKGE CCCc1nn(-c2ccccn2)c2c1[C@H](c1ccc(OCc3ccccc3Cl)cc1)C(C#N)=C(N)O2 1865703792 FVMDJUUOMJWQLY-RUZDIDTESA-N 497.986 5.670 50 10 JKGE Cc1ccccc1-c1nc(Nc2ccc(SC#N)cc2)cc(N2CC[C@H](c3ccco3)C2)n1 1868301286 MYOBFVQPOBMWSP-IBGZPJMESA-N 453.571 6.356 50 10 JKGE COC(=O)c1ccc(Oc2coc3cc(OCc4ccc(CCl)cc4)ccc3c2=O)cc1 1871437851 DXKLSTMCYWODOZ-UHFFFAOYSA-N 450.874 5.690 50 10 JKGE CCOc1ccc(/C=C/C(O)=C(\C#N)c2nc(-c3ccc(OC)cc3OC)cs2)cc1OC 1872755633 XJPSQDUPRLLHMB-PONLHPBNSA-N 464.543 5.741 50 10 JKGE CCOc1ccc(CC/C(O)=C(\C#N)c2nc(-c3cc(Cl)cc(C)c3OC)cs2)cc1OC 1872756970 KOPATWJUXPOLFW-VZCXRCSSSA-N 485.005 6.613 50 10 JKGE CCCCOc1ccc(/C=C(\C#N)c2nc(-c3ccc(CCCC)cc3)cs2)cc1OCC 1872781605 LNMVLLYVCLPQQT-JJIBRWJFSA-N 460.643 7.794 50 10 JKGE CCOc1cc(/C=C(\C#N)c2nc(-c3cccc([N+](=O)[O-])c3)cs2)ccc1OCc1ccccc1C 1872782773 UZDHRVGDQIDQHV-YDZHTSKRSA-N 497.576 7.069 50 10 JKGE N#C/C(=C\c1ccc(OCc2ccccc2Cl)cc1)c1nc(-c2cccc3ccccc23)cs1 1872792131 GKRYDMUFQWKMCZ-XQNSMLJCSA-N 479.004 8.260 50 10 JKGE CC(C)(C)OC(=O)N1CCC[C@H]1C(=O)N/N=C/c1ccc(OCc2ccc(Cl)c(Cl)c2)cc1 1873795333 YNJBKCJJIDGPBP-XYGFXTTESA-N 492.403 5.422 50 10 JKGE Cl[C@@H](c1cc(Br)sn1)c1cc(Br)sc1Br 1909864286 MWZSWMYKDQXAFP-SSDOTTSWSA-N 452.418 5.820 50 10 JKGE Cc1sc(C)c(S(=O)(=O)N(Cc2ccccc2)C[C@H](C)Br)c1Br 1914650829 JBEMTYKWKUBCJV-NSHDSACASA-N 481.275 5.102 50 10 JKGE O=C(c1ccc(Br)cc1C(F)(F)F)N(Cc1ccccc1)[C@@H](CCl)C1CC1 1915176802 NSFTYLVRRPJOBG-SFHVURJKSA-N 460.721 6.128 50 10 JKGE CN(C[C@H](Cl)COCc1ccccc1)C(=O)c1cccc(Br)c1Br 1916343163 SJEQKTZNYOJPQA-AWEZNQCLSA-N 475.608 5.108 50 10 JKGE Clc1c(Br)sc(Br)c1[C@@H](Br)[C@H]1CCCc2ccccc21 1923073592 YHVLPFCJFUKWAL-JQWIXIFHSA-N 499.493 7.483 50 10 JKGE Clc1cc([C@H](Br)c2c(Br)sc(Br)c2Cl)cs1 1923074319 KDHCNBBEGCDBNB-LURJTMIESA-N 485.875 7.126 50 10 JKGE Fc1c(Br)cccc1[C@@H](Br)c1c(Cl)sc(Br)c1Cl 1925586482 ZREMXRMFRXKDTF-SSDOTTSWSA-N 497.836 7.203 50 10 JKGE C[C@@H]1COc2ccc([C@@H](Br)c3scc(Br)c3Br)cc21 1925670421 NBHXMGKXTKPSCL-JMCQJSRRSA-N 467.020 6.253 50 10 JKGE COc1sc([C@@H](Cl)c2cc(Br)c(Br)s2)cc1Br 1946711019 IEVJNDLCJTXZJN-QMMMGPOBSA-N 481.456 6.434 50 10 JKGE CN(Cc1ccccc1)[C@@H]1CCN(c2c(CBr)ccc(Br)c2Cl)C1 1948736821 HCTVGYPJJUEMHU-MRXNPFEDSA-N 472.652 5.708 50 10 JKGE Cc1cc(Br)ccc1[C@@H](Br)c1sc(Cl)cc1Br 1948828641 LYECQFHJXGARRJ-LLVKDONJSA-N 459.428 6.719 50 10 JKGE C[C@]1([C@@H](Br)c2cc(Br)c(Br)s2)CCCC1(F)F 2002581914 INXRSTZFADRFMU-WCBMZHEXSA-N 452.984 6.535 50 10 JKGE Cc1cc([C@H](Br)c2cc(Br)c(C)s2)ccc1I 2026132689 KTUYUNXEUQNMMC-ZDUSSCGKSA-N 486.010 6.216 50 10 JKGE CCCCC[C@H](CC)O[C@](C)(CI)CN(CC)C(=O)OC(C)(C)C 2026329593 STPIZUIYQHHGAN-QFBILLFUSA-N 455.421 5.813 50 10 JKGE Cc1cnc(COc2c(Br)cc(CBr)cc2Br)s1 2027253543 HVOYHXBBCRWVSD-UHFFFAOYSA-N 455.997 5.450 50 10 JKGE Fc1cccc(Cl)c1C[C@@H](Br)c1csc(Br)c1Br 2032954112 XADUBFTUOXKDQB-MRVPVSSYSA-N 477.418 6.744 50 10 JKGE CCC(F)(F)CCOc1c(Br)cc(CBr)cc1Br 2035903374 JIMJSLKWXOQQAE-UHFFFAOYSA-N 450.943 5.921 50 10 JKGE Cc1csc([C@@H](Br)c2ccc(C)c(Br)c2C)c1Br 2039331704 CMHPIHZFNKZSCX-ZDUSSCGKSA-N 453.037 6.683 50 10 JKGE COCc1cc(Br)c([C@@H](Br)c2scc(C)c2Br)s1 2039333225 YBGMJULYHXPLKO-SNVBAGLBSA-N 475.065 6.274 50 10 JKGE BrCc1cc(Br)ccc1N1CC[C@H]2CN(Cc3ccccc3)C[C@@H]2C1 2049664698 LDJSOUHEGICTSR-PKOBYXMFSA-N 464.245 5.302 50 10 JKGE Cc1cc(Br)c(CBr)c(N(C)[C@@H]2CCCN(Cc3ccccc3)C2)c1 2053213697 RJYWSOOSRBJIHJ-GOSISDBHSA-N 466.261 5.753 50 10 JKGE CC(C)(C)OC(=O)N1CC[C@]2(CCC[C@@H](CI)O2)CC12CCCCC2 2074143643 CHPGFDIDLKGJCN-OXJNMPFZSA-N 463.400 5.463 50 10 JKGE Cc1cc(Br)c(C)c([C@@H](Br)c2cscc2Cl)c1Br 2081055465 USECBJAXTVIBSZ-ZDUSSCGKSA-N 473.455 7.028 50 10 JKGE Cc1cc([C@@H](Br)c2ccc(Cl)cc2Cl)ccc1I 2086038872 DUGXZXPKAKAPOP-CQSZACIVSA-N 455.948 6.391 50 10 JKGE C[C@H]1Cc2cc([C@H](Br)c3sccc3Br)cc(Br)c2O1 2090467851 RGKGMCWJEQFJDE-MADCSZMMSA-N 467.020 6.081 50 10 JKGE C[C@@H](Br)C[C@@H]1CCCCN1Cc1cccc(Br)c1Br 2092338955 YWLNRKHSRGJZHD-YPMHNXCESA-N 454.044 5.740 50 10 JKGE Clc1ccc(Br)c([C@@H](Br)c2cc(C3CC3)c(Br)s2)c1 2094673523 MBGUQMKABMTHPY-CYBMUJFWSA-N 485.466 7.288 50 10 JKGE CCOc1ccc(Br)cc1[C@H](Br)c1cc(C)sc1Br 2101015142 SUOWNIVSECHCSG-ZDUSSCGKSA-N 469.036 6.465 50 10 JKGE Brc1ccc(Br)c([C@H](Br)[C@@H]2CC3(CCCC3)CO2)c1 2109965791 URECHBSYFAPGIG-KBPBESRZSA-N 453.012 5.997 50 10 JKGE Cc1cc(Br)c(C)c([C@@H](Br)CC(C)(C)C2CC2)c1Br 2136366358 HLCDESADDBPKCM-ZDUSSCGKSA-N 453.056 7.091 50 10 JKGE Cc1cc(Br)c(C)c([C@@H](Br)C2C(C)(C)C2(C)C)c1Br 2136380727 WIKXGYYHJZOFEU-CYBMUJFWSA-N 453.056 6.947 50 10 JKGE Cc1cc(Cl)c(Br)cc1[C@@H](Br)c1ccc(Br)c(F)c1 2137644848 ZYWYGRJZIODTNS-AWEZNQCLSA-N 471.389 6.797 50 10 JKGE COc1c(Cl)cc(Br)cc1[C@@H](Br)c1cc(Br)sc1C 2138256097 RQSCDRZFEXPEEI-LBPRGKRZSA-N 489.454 6.728 50 10 JKGE COc1ccc([C@H](Br)c2ccc(I)c(C)c2)cc1Br 2142141758 YNWSQOLHTIABDI-OAHLLOKOSA-N 495.980 5.855 50 10 JKGE CC1(C)[C@H]2CC[C@@H](C2)[C@]1(CBr)Cc1ccc(Br)cc1Br 2148680177 CCTQYACPOFLZGY-GDZNZVCISA-N 465.067 6.592 50 10 JKGE ClCCc1nc2cc(Br)c(Cl)cc2n1[C@]12C[C@@H]1CN(Cc1ccccc1)C2 2160065320 JLTXXESZVQHDGG-VFNWGFHPSA-N 465.222 5.465 50 10 JKGE Cc1c(Cl)cc([C@H](Br)[C@@H](C)c2ccncc2Br)cc1Br 2167377373 OPFKNRVPQJADHD-VXJOIVPMSA-N 482.441 6.808 50 10 JKGE Cc1cc(Br)c(CBr)c(Oc2cc(Br)cc(F)c2F)c1 2173449374 JCKPRCYPPYJAON-UHFFFAOYSA-N 470.933 6.485 50 10 JKGE Cc1cc(Br)c(CBr)c(N2CC[C@@H]3CCN(Cc4ccccc4)C[C@H]3C2)c1 2173449775 LRQKWJYFVZFUHJ-PMACEKPBSA-N 492.299 6.001 50 10 JKGE CC(C)CNCc1cc(Br)c(OC[C@@H]2C[C@@H]2Br)c(Br)c1 2196908239 WMIOKINPFZAAPU-RYUDHWBXSA-N 470.043 5.119 50 10 JKGE C[C@@H](Cl)c1nc2cc(I)c(F)cc2n1C[C@H]1C[C@H](Br)C1 2196931573 IZVVQAGJYNUGHB-IWSPIJDZSA-N 471.539 5.253 50 10 JKGE Cc1cc(Br)c(C)c([C@H](Br)[C@H]2CC3CCC2CC3)c1Br 2201075813 WKMBOUUCHZHORZ-JJOHEJHASA-N 465.067 7.091 50 10 JKGE BrCC(CBr)(C[C@@H]1CCCOCC1)c1cccc(Br)c1 2206821394 DEPRRXCVTZONGJ-CYBMUJFWSA-N 469.055 5.684 50 10 JKGE COc1c(C)cc([C@H](Cl)c2ccc(Br)cc2I)cc1C 2207272284 MYXGBINOSQBSFO-HNNXBMFYSA-N 465.556 6.007 50 10 JKGE Cc1ccccc1C[C@H](Br)c1cc(Br)c(Br)cc1F 2225615283 FUJIZXMVOGPWIJ-LBPRGKRZSA-N 450.971 6.338 50 10 JKGE Cc1nn(C)c([C@@H](Br)c2cc(Br)c(Br)cc2F)c1Cl 2232169975 KQTRGHUVUZLERA-JTQLQIEISA-N 475.381 5.530 50 10 JKGE FC1(F)[C@@H]2[C@@H]([C@@H](Br)c3c(Br)cc(Cl)c(Cl)c3Cl)CC[C@H]21 2232513340 QJXFKLAIOCJLHD-KWRDXHJWSA-N 469.378 7.137 50 10 JKGE Fc1cc(Br)c(Br)cc1[C@H](Br)[C@H]1CCn2ccnc2C1 2233981514 JMHSTWVEKUFKIK-RMLUDKJBSA-N 466.974 5.246 50 10 JKGE Fc1cc(Br)c(F)c(Br)c1[C@@H](Br)[C@H]1C[C@H](Br)C1 2250747563 NPCNBWIMGBOTAS-PJPYAQQDSA-N 497.797 6.099 50 10 JKGE COc1ccc([C@H](Br)c2scc(Br)c2C)c(Br)c1Cl 2268260048 QBWCFHJJAUSAOU-NSHDSACASA-N 489.454 6.728 50 10 JKGE CCCN[C@H](Cc1cc(Br)cc(Br)c1)C1CC(Br)C1 2277955138 HCXJJGYTNVPUGM-WDIPEOLASA-N 454.044 5.296 50 10 JKGE COc1cc(C)c(Br)c(C)c1[C@H](Br)c1nn(C)cc1Br 2285074575 KKQCYOUQTIOSBN-ZDUSSCGKSA-N 466.999 5.055 50 10 JKGE CCCN[C@@H](c1c(F)cc(Br)c(F)c1Br)C1CC(Br)C1 2288375760 HASLYFJVIHGUEN-HLCFFCTHSA-N 475.997 5.704 50 10 JKGE Cc1ccc(-c2nnc(SCC(=O)NN=CC=Cc3ccco3)n2-c2ccc(C)cc2)cc1 2293239034 DNUAQFBYMGZULT-UHFFFAOYSA-N 457.559 5.052 50 10 JKGE Cc1cccc(NC(=O)Cn2cc(C=C(C#N)C(=O)Nc3cc(Cl)ccc3C)c3ccccc32)c1 2294172064 ZDEUDVWMAAXXJU-UHFFFAOYSA-N 482.971 6.096 50 10 JKGE COc1c(Br)cc([C@@H](Br)c2ccc(Br)o2)c(OC)c1C 2295432673 KPTQSJZKRVVCOI-GFCCVEGCSA-N 468.967 5.615 50 10 JKGE N#CC(=Cc1ccc(OCc2ccccc2Cl)cc1)C(=O)Nc1cc(Cl)cc(Cl)c1 2295459690 NUMOSKWGVNDRRP-UHFFFAOYSA-N 457.744 6.771 50 10 JKGE N#CC(C(=O)Nc1cccc2ccccc12)=C1S[C@H](Cc2ccc(F)cc2)C(=O)N1c1ccccc1 2296506992 OHFGWLQRKQCUQV-AREMUKBSSA-N 493.563 6.044 50 10 JKGE COc1ccc(C[C@H]2SC(=C(C#N)C(=O)Nc3cccc(C)c3)N(c3ccccc3C)C2=O)cc1 2296507184 XNIPGTDLTNDTPA-RUZDIDTESA-N 483.593 5.377 50 10 JKGE Cc1ccc(Cc2cnc(NC(=O)C(C#N)=Cc3ccc(-c4cccc([N+](=O)[O-])c4)o3)s2)cc1 2296689798 VOJASFWFKFRZBL-UHFFFAOYSA-N 470.510 5.756 50 10 JKGE N#CC(=CNc1ccc(Oc2ccccc2)cc1)c1nc(-c2ccc(Cl)cc2Cl)cs1 2296800833 ZANXNBIADSDNGX-UHFFFAOYSA-N 464.377 7.886 50 10 JKGE CC1(C[C@H](Br)c2ccc(OCc3ccccc3)cc2Br)CCCC1 2299489242 NJBAMKUCJSSDBO-FQEVSTJZSA-N 452.230 7.435 50 10 JKGE CCc1ccc(NC(=O)C(C#N)=Cc2ccc(-c3ccc([N+](=O)[O-])cc3Br)o2)cc1 2313511458 XCQWYUWNOGVWAL-UHFFFAOYSA-N 466.291 5.725 50 10 JKGE N#CC(=Cc1cccc(OCc2ccc(Cl)cc2Cl)c1)C(=O)Nc1cccc(Cl)c1 2313630570 BUPWPQRJIJQGKO-UHFFFAOYSA-N 457.744 6.771 50 10 JKGE Cc1ccc(Cl)cc1NC(=O)C(C#N)=Cc1cc(Cl)ccc1OCc1ccc(Cl)cc1 2313738883 WIRITOXWOKERPS-UHFFFAOYSA-N 471.771 7.080 50 10 JKGE COc1c([C@@H](Br)c2cc(Br)ccc2OCc2ccccc2)csc1C 2314441711 BAYJOJIPSUDTOK-IBGZPJMESA-N 482.237 6.891 50 10 JKGE Brc1ccc(OCc2ccccc2)c([C@H](Br)C[C@@H]2CCCOCC2)c1 2314454533 HBKCCHMASVJWPI-OXQOHEQNSA-N 468.229 6.671 50 10 JKGE COc1cc(C=C2C(=O)N(C3CCCC3)C(=O)C(C#N)=C2C)ccc1OCc1ccccc1Cl 2314617150 RRRROEAWNDDKTH-UHFFFAOYSA-N 476.960 5.462 50 10 JKGE CCCCCCOc1ccc(C=C2C(=O)N(CCc3ccccc3)C(=O)C(C#N)=C2C)cc1OC 2314617349 WPKAEQQJUTYSMP-UHFFFAOYSA-N 472.585 5.489 50 10 JKGE COc1ccc(C=CC(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@H]3c2cccc3ccccc23)cc1 2314634562 INBNGKMOPIJXSG-LJAQVGFWSA-N 474.516 5.685 50 10 JKGE CCCCCCOc1ccc(C=C(C#N)C(=O)Nc2nc(-c3ccc(C)cc3)c(C)s2)cc1OC 2314728492 FSVYRLMZHPWNLB-UHFFFAOYSA-N 489.641 6.940 50 10 JKGE CCCOc1ccccc1C=C(C#N)C(=O)Nc1nc(-c2ccc(Cl)cc2Cl)cs1 2314774077 RSLHSFMMQKPHNN-UHFFFAOYSA-N 458.370 6.451 50 10 JKGE COCc1ccc([C@@H](Br)c2cccc(Br)c2Br)s1 2315105383 QVKQGKGLPQONAT-ZDUSSCGKSA-N 455.009 5.904 50 10 JKGE C[C@@]1([C@H](Br)c2c(Cl)cc(Br)c(F)c2Br)CC1(F)F 2315441530 IIUYLKIGAXWOQG-ZJUUUORDSA-N 471.336 6.485 50 10 JKGE C[C@@H]1C[C@@H]([C@H](Br)c2c(Cl)cc(Br)c(F)c2Br)CO1 2315449718 SUVTXMIIVLEJCW-DGAHNEANSA-N 465.382 5.865 50 10 JKGE Cc1ccc2nc(-c3ccc(NC=C(C#N)C(=O)N(Cc4ccccc4)C(C)C)cc3)sc2c1 2324522964 LIBBFHALAIXTEH-UHFFFAOYSA-N 466.610 6.528 50 10 JKGE Brc1cc(CC[C@@H](Br)CC2CCCC2)ccc1I 2325208186 FYDBKKMTIBZTLS-CYBMUJFWSA-N 486.029 6.330 50 10 JKGE CCCCCCCCCOc1ccc(C=C(C#N)c2cc3c(cc2[N+](=O)[O-])OCCO3)cc1OC 2331051338 ADHHXOUCQMIORD-UHFFFAOYSA-N 480.561 6.568 50 10 JKGE CCn1c(C(C#N)=Cc2cccc(OC)c2OCc2c(F)cccc2Cl)nc2ccccc21 2331071879 WFFGYOABDHAELC-UHFFFAOYSA-N 461.924 6.500 50 10 JKGE COc1cc(C=CC(O)=C(C#N)c2nc(-c3ccc(Cl)cc3Cl)cs2)ccc1OC(C)=O 2331251330 QXLJCSGDDSNZPR-UHFFFAOYSA-N 487.364 6.557 50 10 JKGE CCCOc1ccc(-c2csc(C(C#N)=C(O)Cc3ccccc3Cl)n2)cc1OCCC 2331293296 SUYJAOSIVCOUPH-UHFFFAOYSA-N 469.006 7.076 50 10 JKGE CCCOc1ccc(-c2csc(C(C#N)=C(O)[C@H](C)Oc3ccc(Cl)cc3)n2)cc1OCCC 2331293454 NILVHLHJPXXVKU-KRWDZBQOSA-N 499.032 7.301 50 10 JKGE CCCCCOc1ccc(C=C(C(O)=C(C#N)c2nc(C(C)C)cs2)c2ccccc2)cc1OC 2331328833 RNQPWADUYAWUCK-UHFFFAOYSA-N 488.653 7.878 50 10 JKGE CC(C)C[C@H](C(O)=C(C#N)c1nc(-c2ccc3c(c2)OCO3)cs1)N1C(=O)c2ccccc2C1=O 2331333784 AAEAXBKTAZGBIH-HXUWFJFHSA-N 487.537 5.042 50 10 JKGE COc1cc(-c2csc(C(C#N)=C(O)Cc3cc(Cl)ccc3Cl)n2)c(OC)cc1Cl 2331377067 DEBPGUCTDXEFNT-UHFFFAOYSA-N 481.788 6.823 50 10 JKGE CCN(Cc1ccccc1)c1ccc(C=C(C#N)c2nc(-c3c(C)c(C)cc(C)c3C)cs2)cc1 2331468624 FRNVHDVYVZQYIX-UHFFFAOYSA-N 477.677 8.134 50 10 JKGE COc1ccc(-c2csc(C(C#N)=Cc3ccc(OCc4ccccc4)cc3)n2)cc1Cl 2331480895 OAHMBJZGARMIEK-UHFFFAOYSA-N 458.970 7.115 50 10 JKGE Brc1ccc([C@@H](Br)[C@@H]2C[C@H]2C2CCCCC2)c(Br)c1 2333146269 IMPLIRMQGDDPJL-SQWLQELKSA-N 451.040 6.864 50 10 JKGE Cc1cc(I)c(Oc2ccc(CBr)cc2F)cc1Cl 2336558533 JUDKMJBIQWYSRB-UHFFFAOYSA-N 455.492 6.079 50 10 JKGE CC[C@@H]([C@H](Br)c1c(Cl)cc(Br)c(F)c1Br)C(C)(F)F 2337085179 UZTCYQVXKLVHFX-CDUCUWFYSA-N 487.379 7.122 50 10 JKGE Brc1cc(Br)cc(CO[C@H]2C[C@H](Br)C23CCCC3)c1 2337098844 PZUWXLYHDYDLJS-KBPBESRZSA-N 453.012 5.824 50 10 JKGE CC(C)(CBr)[C@H]1CCCN1Cc1ccc(Cl)c(I)c1 2337228169 UFCBYHYJGRPFBZ-CQSZACIVSA-N 456.593 5.330 50 10 JKGE Cc1cc(Br)c(F)c(Br)c1[C@H](Br)[C@@H]1CCCC1(C)C 2339647342 ZTAZGIRHBJYWHC-JOYOIKCWSA-N 457.019 6.921 50 10 JKGE C[C@]1(C(F)(F)F)C[C@@]1(CBr)Cc1ccc(Cl)cc1I 2341050485 NTHXPCNZOZGQKG-NWDGAFQWSA-N 467.494 5.841 50 10 JKGE C=CC[C@]1(CCl)CCN(Cc2ccc(I)c(Br)c2)C1 2349826951 GYRPBFOEIZWPRF-OAHLLOKOSA-N 454.577 5.061 50 10 JKGE Cc1cc([C@@H](Cl)c2c(Cl)cc(Br)c(F)c2Br)ccc1Cl 2362223576 ICOXAWVBWKRHCT-CYBMUJFWSA-N 461.383 7.294 50 10 JKGE Clc1ccc(CN2CCC[C@@H]3CC[C@@H](Br)C[C@H]32)cc1I 2362381590 XOMHBPYFNWODHN-XJKCOSOUSA-N 468.604 5.473 50 10 JKGE COc1c(Br)cc(C)c([C@H](Br)[C@@H]2C[C@H]3C[C@H]3CO2)c1Br 2365190963 JYJVIRXAPGAMEW-UPBCOZELSA-N 469.011 5.390 50 10 JKGE O=C(c1scc(Br)c1Br)N1C[C@H]2CC(CBr)C[C@@H](C2)C1 2368388117 OCQJROGCTSHDKM-UWVGGRQHSA-N 486.067 5.156 50 10 JKGE Clc1ccc(I)c(CN2C[C@@H]3C[C@@H](CBr)C[C@@H](C3)C2)c1 2369248957 UWRWWQHZUXHFLT-XYYAHUGASA-N 468.604 5.188 50 10 JKGE CC(C)(C)OC(=O)N[C@]12CCC(F)(F)C[C@H]1CN(CCCCCCCBr)C2 2370149192 NYNTWQJGJBIKLV-LPHOPBHVSA-N 453.412 5.346 50 10 JKGE Cc1cccc(NC(=O)C(C#N)=C(SCc2cc(C)ccc2C)SCc2cc(C)ccc2C)c1 3059104 UVENPDHSALNEPQ-UHFFFAOYSA-N 486.706 7.769 50 10 JKGE Cc1ccc(/C=N/NC(=O)COc2ccc3cc(Br)ccc3c2Br)s1 12491255 GMCIGSMRVJZOQE-ZVBGSRNCSA-N 482.197 5.264 50 10 JKGE COc1ccc2ccccc2c1/C=N/NC(=O)COc1ccc2ccccc2c1Br 12575828 IZPGKGKXINKTON-VULFUBBASA-N 463.331 5.293 50 10 JKGE COc1ccccc1Oc1nc2ccccn2c(=O)c1/C=C(/C#N)c1nc2ccccc2s1 33675779 XGNUAVJISWKFNG-PEZBUJJGSA-N 452.495 5.169 50 10 JKGE CCCCOc1ccccc1/C=C(/C#N)C(=O)Nc1ncc(Cc2ccc(Cl)c(Cl)c2)s1 33737100 ZMNUDWNZLDJRJL-AQTBWJFISA-N 486.424 6.765 50 10 JKGE CCOc1cc(/C=C2/C(=O)N(C3CCCCC3)C(=O)C(C#N)=C2C)ccc1OCc1ccc(F)cc1 38608223 FWDXVNZFHDOQDY-BUVRLJJBSA-N 488.559 5.728 50 10 JKGE CCCOc1ccccc1C(=O)Oc1ccc2c(c1)OC(N)=C(C#N)[C@H]2c1ccccc1Cl 38651096 PRXYMGAAFMGMAX-DEOSSOPVSA-N 460.917 5.566 50 10 JKGE N#CC1=C(N)Oc2cc(OC(=O)c3ccc(Br)cc3)ccc2[C@H]1c1ccc(F)cc1 38652466 AJCZSNLUQGPZLH-OAQYLSRUSA-N 465.278 5.026 50 10 JKGE CC(C)(C)CC(C)(C)c1ccc(OCC(=O)N/N=C\c2cccc(Oc3ccccc3)c2)cc1 40852317 AXBVFHNILWXGAT-FSGOGVSDSA-N 458.602 6.722 50 10 JKGE CCCOc1ccc(/C=N/NC(=O)CSc2nc(-c3ccc(Cl)cc3)cs2)cc1OC 40924764 CMDUYYCQCYLAPC-WYMPLXKRSA-N 476.023 5.503 50 10 JKGE O=C(CSc1nc(-c2ccc(Cl)cc2)cs1)N/N=C/c1c(Cl)ccc(Cl)c1Cl 40924810 BVJNJPZXINMHPX-HCGXMYGOSA-N 491.252 6.666 50 10 JKGE COC(=O)c1c(-c2ccc3c(c2)CCCC3)csc1NC(=O)/C(C#N)=C/c1ccc(OC)cc1 41013121 OTGMATCKPSONJB-FYJGNVAPSA-N 472.566 5.635 50 10 JKGE CCOc1cc(/C=N\NC(=O)CC[C@H](O)c2ccccc2)cc(Cl)c1OCc1ccccc1 58891356 OKIIZEQYVMLNSD-MPTKSEEOSA-N 466.965 5.282 50 10 JKGE N#C/C(=C\c1ccc(OC(=O)c2ccc(Cl)cc2)cc1)C(=O)Nc1ccc(Cl)c(Cl)c1 59117538 MNGWINUNJNTAPA-LFIBNONCSA-N 471.727 6.412 50 10 JKGE CC(C)NC(=O)/C(C#N)=C/c1cc(Br)ccc1OCc1ccc(Br)cc1 59297314 ZFDACKJZQLVMQQ-CXUHLZMHSA-N 478.184 5.222 50 10 JKGE O=C(N/N=C/c1ccccc1OCc1ccc2c(c1)OCO2)c1cc2cc(Br)ccc2o1 59304174 DBGIAPYKNALAHK-RPPGKUMJSA-N 493.313 5.267 50 10 JKGE C=CCc1cc(/C=N/NC(=O)c2cc3ccccc3o2)ccc1OCc1ccc(Cl)c(Cl)c1 59304641 CENIRWYWYOLGQE-WKULSOCRSA-N 479.363 6.811 50 10 JKGE Cc1ccc(C)c(OCCCC(C)(C)C(=O)NNC(=O)COc2ccc(Cl)cc2Cl)c1 66201401 VOYYJANZOSLPHN-UHFFFAOYSA-N 467.393 5.022 50 10 JKGE Fc1cc(Br)c(Cl)cc1[C@H](Br)c1sccc1Br 97895950 GNQLYHUPYANSDH-JTQLQIEISA-N 463.391 6.550 50 10 JKGE C/C(=N/NC(=O)c1ccc(COc2ccccc2-c2ccccc2)cc1)c1ccc(C)c([N+](=O)[O-])c1 97991673 LBTUOEKGKXEZRZ-OFWBYEQRSA-N 479.536 6.303 50 10 JKGE C=CCN1C(=O)C(C#N)=C(C)/C(=C\c2cn(-c3ccccc3)nc2-c2ccc(Br)cc2)C1=O 101231009 JTWHETCYXGQGKP-HYARGMPZSA-N 499.368 5.080 50 10 JKGE CCOc1ccc(N2C(=O)[C@H](Cc3cccc(C)c3)S/C2=C(/C#N)C(=O)Nc2ccc(C)cc2)cc1 101246202 UJBZWMYMMNDLHZ-HFVAWESISA-N 497.620 5.767 50 10 JKGE N#C/C(=C/c1ccc(OCc2cccc3ccccc23)cc1)C(=O)Nc1nc2ccccc2s1 102444176 XATXZILLWBKHKW-JWGURIENSA-N 461.546 6.574 50 10 JKGE COc1ccc(NC(=O)/C(C#N)=C\c2cn(-c3ccccc3)nc2-c2ccc(Br)cc2)cc1 102471011 MAXNGZZSTJSZFT-CYVLTUHYSA-N 499.368 5.856 50 10 JKGE Cc1ccc(NC(=O)/C(C#N)=C\c2c(Oc3ccc(Cl)cc3)nc3c(C)cccn3c2=O)cc1 102847325 LVYSOEDYTGRXDV-JXAWBTAJSA-N 470.916 5.303 50 10 JKGE CCc1cccc(CC)c1N/C(SCc1ccccc1C)=C(\C#N)S(=O)(=O)c1ccccc1 104689228 QMOJVIONZQJQPR-RFBIWTDZSA-N 476.667 6.632 50 10 JKGE Cc1ccc(-c2ccc(/C=C(/C#N)c3nc(-c4ccc([N+](=O)[O-])cc4)cs3)o2)c([N+](=O)[O-])c1 209404496 MOYLRUKCJWSEOJ-WJDWOHSUSA-N 458.455 6.259 50 10 JKGE CC[C@H](NC(=O)/C(C#N)=C\Nc1ccc(Br)cc1C)c1ccc2c(c1)CCCC2 217192721 DMPJKEMEFJVBDY-BARSGRSVSA-N 452.396 5.723 50 10 JKGE CC(C)(C)[Si](C)(C)OC[C@@H]1OC=C[C@@H](O[Si](C)(C)C(C)(C)C)[C@@H]1OCc1ccccc1 221064520 CZGTZYNJABAJPH-VJBWXMMDSA-N 464.795 6.897 50 10 JKGE Cc1cc(Br)c([C@H](Br)[C@@H]2CCCCC2(C)C)cc1Br 226684391 JRGKSPDEKJQTJN-WFASDCNBSA-N 453.056 7.172 50 10 JKGE O=c1[nH]c2ccc([C@H](Br)c3ccc(Br)cc3Br)cc2o1 232484947 GVZNNKHVTBMUNF-ZDUSSCGKSA-N 461.935 5.130 50 10 JKGE Cc1cc(Br)c([C@@H](Br)c2ccoc2Br)cc1Br 235813232 XFDMVJZOPYWBLB-NSHDSACASA-N 487.811 6.360 50 10 JKGE Cc1cc([C@@H](Br)c2cc(Cl)ccc2I)c(Cl)cc1F 235863216 MIJODEXGSNBYCT-CQSZACIVSA-N 473.938 6.530 50 10 JKGE COC(=O)c1ccc(C=NNC(=O)c2cc(-c3cccc(OC(C)C)c3)nc3ccccc23)cc1 252611084 IHEHQHZYUOTXDT-UHFFFAOYSA-N 467.525 5.240 50 10 JKGE CC[C@H](Cl)C(=O)O[C@H]1CC[C@@]2(C)C(=CC[C@H]3[C@H]2CC[C@]2(C)[C@H]([C@@H](C)CCCC(C)C)CC[C@H]32)C1 253530054 AYVNXDFYJLGZKZ-IQQZJDRXSA-N 491.200 8.957 50 10 JKGE biogenic Cc1ccc(-n2c(SCC(=O)NN=Cc3ccc(O)cc3)nnc2-c2ccc(C(C)(C)C)cc2)cc1 254756763 FXVPYPOEZDGVKI-UHFFFAOYSA-N 499.640 5.488 50 10 JKGE Cc1cc(C)c([C@@H](Cl)c2cc(Br)cc(Br)c2)c(C)c1Br 312310336 XBXFRCAGGONQHJ-INIZCTEOSA-N 481.453 7.228 50 10 JKGE Fc1c(Br)cccc1[C@@H]1CN(Cc2ccccc2)C[C@H]1CI 382684342 GPYYGMJIBGNUGV-GDBMZVCRSA-N 474.155 5.239 50 10 JKGE C[C@H](Cl)c1nc2cc(I)c(F)cc2n1CCCCOCc1ccccc1 390665449 UEGYEFQENKJXRY-AWEZNQCLSA-N 486.756 6.077 50 10 JKGE CCC(C)(C)CCC(CBr)(CBr)c1ccccc1Br 696701248 HJNTZTMYZQFWEI-UHFFFAOYSA-N 455.072 6.693 50 10 JKGE Fc1ccc([C@@H](Cl)c2scc(Br)c2Br)c(F)c1Br 705479076 ZHYUEBPBKPNNIJ-SECBINFHSA-N 481.381 6.642 50 10 JKGE O=C(NN=Cc1ccc(Oc2ccc(C(F)(F)F)cc2[N+](=O)[O-])cc1)c1ccc(Cl)cc1 1083951493 MJBAXCWHFASLRZ-UHFFFAOYSA-N 463.799 5.823 50 10 JKGE Cc1cc(-n2c(C)cc(/C=C(/C#N)C(=O)NCc3cccs3)c2C)ccc1Br 1084149907 PIIWPRUWUUPOCE-WQRHYEAKSA-N 454.393 5.450 50 10 JKGE CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(Cl)cc2)ccc1OCc1ccccc1Cl 1084183999 RWSMQQJNACQUOC-CPNJWEJPSA-N 467.352 6.517 50 10 JKGE C=CCc1cc(C=NNC(=O)c2cc3ccccc3o2)ccc1OCc1ccc(Cl)cc1Cl 1084551549 GYKISDACNHBOLA-UHFFFAOYSA-N 479.363 6.811 50 10 JKGE COc1cc(C=NNC(=O)Cc2ccccc2)ccc1Oc1ccc(C(F)(F)F)cc1[N+](=O)[O-] 1084583790 JZMNCCNDHGXTQV-UHFFFAOYSA-N 473.407 5.107 50 10 JKGE CCOC(=O)NN=C1CCCc2oc(C(=O)Nc3cc(Cl)ccc3Oc3ccccc3)c(C)c21 1772751128 IOGAGBHISWHZEC-UHFFFAOYSA-N 481.936 6.073 50 10 JKGE COc1ccc(Cl)cc1NC(=O)[C@H](C)Oc1cccnc1NC(=O)Nc1ccc(SC#N)cc1 1858843863 RSJDIWLVATWSNW-AWEZNQCLSA-N 497.964 5.367 50 10 JKGE N#CC1=C(N)Oc2c(c(-c3ccccc3)nn2Cc2ccc(Cl)cc2)[C@H]1c1cccc(Cl)c1 1865682981 CHOPYMKNLPARGP-QFIPXVFZSA-N 473.363 6.123 50 10 JKGE CCCc1nn(-c2ccc(OC)cc2)c2c1[C@H](c1ccc(OCc3ccccc3)cc1)C(C#N)=C(N)O2 1865689524 BGWRUHNKFCJUQQ-HHHXNRCGSA-N 492.579 5.631 50 10 JKGE CCOc1c(OC)cccc1[C@@H]1C(C#N)=C(N)Oc2c1c(-c1ccccc1)nn2-c1ccc(Cl)cc1 1865692519 GRXABRZJSXJNFS-HSZRJFAPSA-N 498.970 5.818 50 10 JKGE CCOc1ccc([C@H]2C(C#N)=C(N)Oc3c2c(-c2ccccc2)nn3Cc2cccc(F)c2)cc1 1865692612 DHHFKQBCQPHWEC-DEOSSOPVSA-N 466.516 5.354 50 10 JKGE COc1ccc(-c2nn(Cc3cccc(F)c3)c3c2[C@H](c2sccc2C)C(C#N)=C(N)O3)cc1 1865699031 IXKNVKQKDPBNPT-OAQYLSRUSA-N 472.545 5.334 50 10 JKGE COc1ccc(-c2nn(-c3ccc(C)cc3)c3c2[C@@H](c2ccc(OC)cc2)C(C#N)=C(N)O3)cc1 1865712542 BBOUFCSJBMCWOB-DEOSSOPVSA-N 464.525 5.083 50 10 JKGE COc1ccc(/C=C(\C#N)C(=O)Nc2cc(C(F)(F)F)ccc2N2CCCCC2)cc1OC 1866130406 SQJIHJVLWGZAAZ-SFQUDFHCSA-N 459.468 5.259 50 10 JKGE Cc1ccc(C)c(-c2csc(/C(C#N)=C(\O)[C@@H](C)Oc3ccc(Cl)cc3Br)n2)c1 1872750171 ZTDZDQDAWMISHU-GICLCMKGSA-N 489.822 7.103 50 10 JKGE N#C/C(=C(/O)c1cc(C(F)(F)F)cc(C(F)(F)F)c1)c1nc(-c2ccc3c(c2)OCCO3)cs1 1872750811 LKEIWVWIYLFOAH-CYVLTUHYSA-N 498.404 6.569 50 10 JKGE CC(C)c1ccc(O[C@@H](C)/C(O)=C(\C#N)c2nc(-c3ccc(Oc4ccccc4)cc3)cs2)cc1 1872754038 ZMPMLZUNBCJHHC-DPXAEGEQSA-N 482.605 7.986 50 10 JKGE Brc1cccc([C@H](CI)OCCOCc2ccccc2)c1 1884492939 CHBDBPNAYDADAK-KRWDZBQOSA-N 461.137 5.159 50 10 JKGE Cc1nsc(Br)c1[C@@H](Br)c1cc(Br)cc2c1OCC2 1912977563 YXIKGJKUQICCAX-NSHDSACASA-N 468.008 5.396 50 10 JKGE C[C@@H](CCBr)N(Cc1ccccc1)S(=O)(=O)c1ccc(Cl)c(Br)c1 1915095302 UVJOANRNMYXBQZ-ZDUSSCGKSA-N 495.664 5.467 50 10 JKGE Cc1cc(Br)c(C(=O)N(Cc2ccccc2)[C@H](CBr)C2CC2)cc1Cl 1915263043 DXFIMRRNJOWMOO-LJQANCHMSA-N 485.647 6.227 50 10 JKGE FC(F)c1cscc1[C@H](Br)c1sc(Br)cc1Br 1922887056 ZOQAUQXZQPTMDR-QMMMGPOBSA-N 466.992 6.757 50 10 JKGE Cc1c(Br)sc([C@@H](Br)C[C@H]2CC(C)(C)CO2)c1Br 1922920792 KRPYDHBSVSLXAA-IUCAKERBSA-N 461.057 6.223 50 10 JKGE Cc1c(Br)sc([C@@H](Br)Cc2cccc(Cl)c2)c1Br 1922955171 WZTJRPJFHSJMIV-JTQLQIEISA-N 473.455 6.914 50 10 JKGE Clc1c(Br)sc(Br)c1[C@@H](Br)[C@H]1CC12CCOCC2 1923047225 BGFSXWQEQPVWAW-SVRRBLITSA-N 479.459 6.179 50 10 JKGE Clc1c(Br)sc(Br)c1[C@@H](Cl)c1ncsc1Br 1923066775 UWYQOIUDULMPDV-GSVOUGTGSA-N 486.863 6.474 50 10 JKGE Clc1c(Br)sc(Br)c1[C@H](Br)[C@@H]1C[C@H]2C[C@@H]2CO1 1923072358 OKHYEZNVIPSRPW-MNCSTQPFSA-N 465.432 5.788 50 10 JKGE Cl[C@H](c1c(Br)sc(Br)c1Br)C1Cc2ccccc2C1 1924597121 XSFTXRQLHJCFQY-LBPRGKRZSA-N 485.466 6.731 50 10 JKGE O=S1(=O)CCCC[C@H]1[C@@H](Br)c1c(Cl)sc(Br)c1Cl 1925589453 UBFAAEKWSUBJIY-CAHLUQPWSA-N 457.036 5.221 50 10 JKGE C[C@H]1COc2ccc([C@@H](Cl)c3ccc(I)c(Br)c3)cc21 1925680531 UHTYYHISETVKQJ-XXFAHNHDSA-N 463.540 5.878 50 10 JKGE Clc1cccc(Br)c1[C@@H](Cl)c1cc(Br)c(Br)s1 2003557544 HFMIWNAEXXFMGX-JTQLQIEISA-N 479.846 7.017 50 10 JKGE CCN(C[C@@](C)(CI)OC[C@@H]1CC12CCCC2)C(=O)OC(C)(C)C 2021268729 ZCZGGWITBDSMOK-MAUKXSAKSA-N 451.389 5.034 50 10 JKGE 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)C3=C[C@H](Cl)[C@@]2(O)C1 2037547960 JIXRSUPPSOBQSS-DKASPYICSA-N 491.156 7.314 50 10 JKGE C[C@@H](Cl)c1nc2ccc(Cl)c(Cl)c2n1CCCN(Cc1ccccc1)Cc1ccccc1 2041739337 SDPJPYWAZIBRBQ-LJQANCHMSA-N 486.874 7.735 50 10 JKGE Clc1c(Br)sc(Br)c1[C@H](Br)C[C@H]1CCC12CCC2 2047937814 ANNCLZSBZYWYLF-HTQZYQBOSA-N 477.487 7.333 50 10 JKGE Cn1nc([C@H](Cl)c2c(Cl)sc(Br)c2Cl)c(Br)c1Cl 2048145950 GGUOXWAOLAMTDL-SCSAIBSYSA-N 473.832 6.295 50 10 JKGE CC(C)(C)[C@@H](C[C@H](Br)c1cc(Br)c(Br)s1)C(F)F 2048749469 ROYPQTNLONEVPN-BQBZGAKWSA-N 469.027 7.027 50 10 JKGE CCc1nc([C@H](Br)Cc2cccc(Br)c2)c(Br)s1 2050332900 DDCJFRVRERVWBD-SNVBAGLBSA-N 454.025 5.909 50 10 JKGE Fc1c(Cl)cccc1C[C@H](Br)c1cc(Br)c(Br)s1 2050548803 JNGQZZPYUDLQDK-ZETCQYMHSA-N 477.418 6.744 50 10 JKGE Cc1cc(C)c(C)c([C@@H](Br)c2cc(Br)c(Br)s2)c1 2082914021 IWPSJWWKSDFFDV-CYBMUJFWSA-N 453.037 6.683 50 10 JKGE Clc1cc([C@H](Br)c2cc(I)cc3c2OCC3)sc1Cl 2099841494 WNUIEVYWNFDWPL-LLVKDONJSA-N 489.987 6.079 50 10 JKGE C[C@@H]1CCC[C@@](CBr)(Cc2cccc(Br)c2Br)CC1 2100844256 GIVXCRWRUPSKEZ-WBMJQRKESA-N 453.056 6.736 50 10 JKGE Clc1c(Br)sc(Br)c1[C@@H](Br)[C@H]1CCn2ccnc2C1 2108963243 TWLKXLFKXXARAS-RCOVLWMOSA-N 489.458 5.822 50 10 JKGE O=C(c1csc(Br)c1Br)N1CC[C@@H](Br)CC12CCC2 2113572760 RIEHPBRARMKHGV-MRVPVSSYSA-N 472.040 5.195 50 10 JKGE Cc1c(Br)sc([C@@H](Br)c2cc3cnn(C)c3s2)c1Br 2118611298 LRIRUTLNPZQIFU-VIFPVBQESA-N 485.064 6.014 50 10 JKGE Brc1ccc(C[C@H]2C[C@H](Br)CC3(CCC3)C2)c(Br)c1 2127178020 OPXPOFZUTKBXRT-FZMZJTMJSA-N 451.040 6.488 50 10 JKGE Cc1cc(F)c(Cl)cc1[C@H](Br)c1ccc(F)cc1I 2137067432 AIZQXULRJPVMOD-CQSZACIVSA-N 457.483 6.016 50 10 JKGE COc1cc(F)c([C@H](Cl)c2csc(Br)c2Br)cc1Br 2138148212 KQHQUUQNAKLHTD-NSHDSACASA-N 493.417 6.512 50 10 JKGE Cc1c(Br)ccc([C@@H](Br)[C@@]2(C)CCCC2(F)F)c1Br 2138870506 JHNGJQXBSWMNGB-CHWSQXEVSA-N 460.982 6.782 50 10 JKGE COc1ccc([C@H](Br)c2ccc(Br)cc2I)cc1F 2142289492 ZWBYJJPXMLBCBW-AWEZNQCLSA-N 499.943 5.686 50 10 JKGE Clc1ccc([C@@H](Br)CCc2ccc(I)c(Cl)c2)cc1 2142938667 ANTIGDHJEWXCKP-ZDUSSCGKSA-N 469.975 6.667 50 10 JKGE Fc1ccc(Br)cc1[C@H](Br)c1cc(Br)c2c(c1)CCO2 2146630012 UTPJFHMFKAYMSY-CQSZACIVSA-N 464.954 5.770 50 10 JKGE CCc1ccc(CC)c([C@H](Br)c2cccc(Br)c2Br)c1 2148749413 HSPMOJNIAABPFE-MRXNPFEDSA-N 461.035 6.821 50 10 JKGE CC(C)(C)[C@@H]1CC[C@@H](Br)[C@H](Cc2c(Br)cccc2Br)C1 2150493184 JJIAIPFKVOPRMB-OUCADQQQSA-N 467.083 6.980 50 10 JKGE C[C@@H]1CN(Cc2ccccc2)C[C@@H](C)C1n1c(CCl)nc2cc(I)ccc21 2155550527 DIYMLOLKQQUIFX-HZPDHXFCSA-N 493.820 5.709 50 10 JKGE CC1(C)[C@@H](OCc2ccccc2)C[C@H]1n1c(CCl)nc2cc(Br)c(Cl)cc21 2159863215 HFVRGWCJKJNBGQ-MOPGFXCFSA-N 468.222 6.747 50 10 JKGE C[C@H]1CC[C@@H](CCC(CBr)(CBr)c2ccc(Br)cc2)O1 2161116476 QOOLCPIYZAYJSV-WFASDCNBSA-N 469.055 5.824 50 10 JKGE C[C@@H]1CN(Cc2ccccc2)CC[C@H]1n1c(CCl)nc2cc(Cl)c(Br)cc21 2169008597 GCNFWKOMBOMIHY-AUUYWEPGSA-N 467.238 6.274 50 10 JKGE Fc1cc(Br)cc(N2CCC[C@@H]2[C@@H]2CCN(Cc3ccccc3)C2)c1CCl 2170694980 ZIYGQVGCLNPZRJ-DYESRHJHSA-N 451.811 5.818 50 10 JKGE C[C@@H]1CN(C(=O)c2cccc(Br)c2Br)CC[C@H]1CCBr 2172468365 PXYLFAMJJQXRIN-GHMZBOCLSA-N 468.027 5.095 50 10 JKGE O=S(=O)(c1cc(CBr)cc(F)c1F)N(Cc1ccccc1)C1CCCCC1 2179860674 VWVJFBQXZMGGRP-UHFFFAOYSA-N 458.368 5.383 50 10 JKGE ClCc1nc2cc(I)ccc2n1[C@@H]1C[C@@H]2C[C@H](OCc3ccccc3)C[C@H]21 2190562860 ZGBPTMPIGQTIPP-DZKDUJFISA-N 492.788 5.936 50 10 JKGE CC(C)(C)NCc1cc(Br)c(OC[C@@H]2C[C@@H]2Br)c(Br)c1 2196907800 TURPSLKYICZODS-QWRGUYRKSA-N 470.043 5.262 50 10 JKGE Cc1cc(Br)c(C)c([C@@H](Cl)c2cccc(Cl)c2Cl)c1Br 2201078951 QLYABYDYVLCDGE-HNNXBMFYSA-N 457.420 7.463 50 10 JKGE COc1cc2c(cc1Br)nc([C@H](C)Cl)n2C[C@@H](C)N(C)Cc1ccccc1 2202312664 XVIACZCNJFFQIP-CABCVRRESA-N 450.808 5.628 50 10 JKGE Cc1c(Br)ccc([C@H](Br)[C@@H]2CC[C@H]3[C@@H](C2)C3(F)F)c1Br 2203690354 DCZBSMMJCVSPOO-JMLLCIOISA-N 472.993 6.637 50 10 JKGE COc1cc(Br)c([C@@H](Br)c2sccc2Br)cc1C 2220439269 SOADMIWYCZQJLR-GFCCVEGCSA-N 455.009 6.074 50 10 JKGE Cc1sc([C@@H](Br)Cc2ccc(Br)cc2)c(Br)c1C 2221843464 LXOFSKQIJXXQLP-LBPRGKRZSA-N 453.037 6.569 50 10 JKGE CCCCCCCCCO[C@]1(CI)CCCN(C(=O)OC(C)(C)C)C1 2223204238 HMJSCFNHLIQVIX-FQEVSTJZSA-N 467.432 5.958 50 10 JKGE Cc1ccc(I)c([C@H](Br)Cc2ccncc2Br)c1 2224056478 XTSAAHNNPCFAJN-GFCCVEGCSA-N 480.969 5.436 50 10 JKGE Clc1c(Br)sc(Br)c1[C@H](Br)[C@@H]1OC[C@H]2CCCC[C@@H]21 2224947799 PLYPZFXDFCVNMB-VFYMIVFZSA-N 493.486 6.568 50 10 JKGE Brc1ccc(Br)c([C@@H](Br)[C@H]2C[C@H]3CCC[C@H](C3)C2)c1 2225311210 MOJDLVKCUXZFSL-BUWBCJGYSA-N 451.040 6.864 50 10 JKGE Cc1cc(Br)c([C@H](Br)CCC2CCCC2)c(C)c1Br 2227348027 LRDCJKVVHJWSGY-CYBMUJFWSA-N 453.056 7.235 50 10 JKGE Cc1cc([C@@H](Cl)c2cc(Br)ccc2Br)cc(C)c1Br 2227418734 KURYUCIYXHTANZ-OAHLLOKOSA-N 467.426 6.919 50 10 JKGE Fc1cc(F)c([C@H](Br)c2cc(Br)c(Cl)s2)c(F)c1Br 2227804820 OLTBBKJGWDZZNS-SECBINFHSA-N 499.371 6.828 50 10 JKGE COc1ccc(Cl)cc1[C@H](Br)c1cc(Br)c(Br)cc1F 2233977521 VQTKIICPBDXLDP-CQSZACIVSA-N 487.388 6.497 50 10 JKGE Cc1cc(Br)c([C@@H](Br)C(C)(C)[C@H]2CCCO2)c(C)c1Br 2235616236 ZSRHHFTWCOSVAV-IUODEOHRSA-N 469.055 6.470 50 10 JKGE Cc1sc([C@H](Cl)c2c(Br)cccc2Br)c(Br)c1C 2253508839 JXUNNMQYFPXINW-GFCCVEGCSA-N 473.455 6.981 50 10 JKGE CCc1cc([C@H](Br)c2cc(Br)ccc2Cl)sc1Br 2255987523 BZVDPASHWNMEOS-GFCCVEGCSA-N 473.455 6.973 50 10 JKGE CC(C)CN(C[C@H](C)Br)C(=O)c1cccc(Br)c1Br 2272462965 QNLYAZKIOCWRON-JTQLQIEISA-N 456.016 5.093 50 10 JKGE Fc1cccc(Br)c1CC[C@@H](Br)c1cccc(Br)c1 2273834040 RCULJUGPKUVHFV-CYBMUJFWSA-N 450.971 6.420 50 10 JKGE Brc1cc(Br)cc(C[C@H](Br)C2CC(C3CCC3)C2)c1 2277957828 XLMDOTYYFMBOJR-ZUEPYMLJSA-N 451.040 6.344 50 10 JKGE CC1(C)CCC[C@]1(CBr)NC(=O)c1ccc(Cl)c(I)c1 2283652304 SPAOBXLKGHGJOO-OAHLLOKOSA-N 470.576 5.018 50 10 JKGE COc1ccc([C@H](Cl)c2cc(C)cc(Br)c2F)cc1I 2284995452 ARIOMGRUADLNPK-AWEZNQCLSA-N 469.519 5.838 50 10 JKGE COc1ccc([C@H](Br)Cc2cccc(F)c2F)cc1I 2284998903 NMYGFYPBZKXWGQ-LLVKDONJSA-N 453.064 5.257 50 10 JKGE O=[N+]([O-])c1ccc([C@@H](Br)c2c(F)cc(Br)c(F)c2Br)o1 2288493457 SPFKYKNXBLHZPO-SECBINFHSA-N 475.865 5.475 50 10 JKGE CC(C)(C)c1ccc(C=C(C#N)C(=O)Nc2ncc(Cc3ccc(Cl)cc3Cl)s2)cc1 2293038652 RFWFQNQKHAUZPP-UHFFFAOYSA-N 470.425 6.884 50 10 JKGE COc1ccccc1C=CC=NNC(=O)c1cc(-c2cccc(OCc3ccccc3)c2)[nH]n1 2293749553 GAZJVMNGBFKMBL-UHFFFAOYSA-N 452.514 5.093 50 10 JKGE CCCCCCCCCCCCCCCCOC(=O)C(C#N)=Cc1ccc(-c2ccccc2)o1 2297320203 UHYHHEDORCXDSA-UHFFFAOYSA-N 463.662 8.878 50 10 JKGE Cc1ccccc1OCCOc1ccc(C=C(C#N)C(=O)Nc2nc3ccccc3s2)cc1 2297500290 YFLBRKAZNBJRRK-UHFFFAOYSA-N 455.539 5.608 50 10 JKGE CCOc1cc(C=C(C#N)C(=O)Nc2ccccc2CC)ccc1OCc1ccccc1Cl 2313676618 LAFXBHXDDBCVIY-UHFFFAOYSA-N 460.961 6.426 50 10 JKGE Cc1cccc(C[C@@H]2SC(=C(C#N)C(=O)Nc3cccc(C)c3)N(c3ccc(C)c(C)c3)C2=O)c1 2314591707 BNKAOZHHKUTXLD-SANMLTNESA-N 481.621 5.985 50 10 JKGE CCOc1ccc(C=C(C#N)C(=O)Nc2sc(C)c(-c3ccc(F)cc3)c2C(=O)OC)cc1OC 2314760019 IDIJYEDRKWZYFO-UHFFFAOYSA-N 494.544 5.602 50 10 JKGE Cc1cc(NC=C(C#N)C(=O)Nc2ccc(I)cc2C)ccc1Br 2318462720 OIELACKHIBFNPL-UHFFFAOYSA-N 496.146 5.129 50 10 JKGE COc1ccc(C(C#N)=Cc2cccc(OC(=O)c3cc4ccccc4oc3=O)c2)cc1OC 2320511407 SWJVISBUSNNACK-UHFFFAOYSA-N 453.450 5.094 50 10 JKGE CSc1ccc(Cl)cc1CC(=O)NN=Cc1ccc(OC(=O)c2ccc(F)cc2)cc1 2323687887 AONUWRMTDQCYCK-UHFFFAOYSA-N 456.926 5.113 50 10 JKGE COc1cc(C=C(C#N)c2nc(-c3ccccc3)cs2)ccc1OCc1cc(C)ccc1C 2323839391 JCWHVOYQMPWMDO-UHFFFAOYSA-N 452.579 7.079 50 10 JKGE CCCCCCCCCOc1ccc(C=NNC(=O)Nc2cccc(Cl)c2)cc1Cl 2323839783 XSQJOBZZKHJJNV-UHFFFAOYSA-N 450.410 7.278 50 10 JKGE Cc1c(OCc2ccc(CCl)cc2)ccc2c1OC(=Cc1ccc(Cl)cc1Cl)C2=O 2325339682 KECCSKISZFCQFI-UHFFFAOYSA-N 459.756 7.236 50 10 JKGE CC(C)OC(=O)c1ccc(C(C#N)=Cc2ccc(OCc3ccc(Cl)cc3Cl)cc2)o1 2331049800 XKSVLHVLUJLSLF-UHFFFAOYSA-N 456.325 6.795 50 10 JKGE CCOc1cc(C=C(C#N)c2cc3c(cc2[N+](=O)[O-])OCCO3)ccc1OCc1ccccc1 2331051342 AVAUTFXJCWFHCP-UHFFFAOYSA-N 458.470 5.408 50 10 JKGE CC(C)c1ccc(O[C@@H](C)C(O)=C(C#N)c2nc(-c3ccc(Cl)cc3Cl)cs2)cc1 2331254727 STTKUUIEUNVAQH-AWEZNQCLSA-N 459.398 7.500 50 10 JKGE Cc1ccc(-c2csc(C(C#N)=C(O)c3ccc4c(c3)C(=O)N(c3ccc(F)cc3)C4=O)n2)c(C)c1 2331311170 ZDUDFRWARBSINI-UHFFFAOYSA-N 495.535 6.317 50 10 JKGE N#CC(=C(O)c1ccc2c(c1)C(=O)N(CCc1ccccc1)C2=O)c1nc(-c2ccc(F)cc2)cs1 2331342528 GJLDYFFCANTJKY-UHFFFAOYSA-N 495.535 5.738 50 10 JKGE CCCOc1ccc(-c2csc(C(C#N)=Cc3cc(Br)c(O)c(OC)c3)n2)cc1 2331445178 POKRPDRAMYYFQJ-UHFFFAOYSA-N 471.376 6.140 50 10 JKGE Cc1cc(Br)c([C@@H](Br)[C@H]2COCC2(C)C)c(C)c1Br 2336207431 UVASIHCQDOLFMZ-YGRLFVJLSA-N 455.028 5.937 50 10 JKGE CO[C@@H]1C[C@]2([C@H](Br)c3c(Cl)cc(Br)c(F)c3Br)C[C@@H]12 2337085018 SNPDZUQWULCYLY-CCOPYSIBSA-N 477.393 5.865 50 10 JKGE FC(F)(F)[C@@H]1OC2([C@H](Br)c3sc(Cl)cc3I)CC1C2 2338768636 SELKJANHKWQKFZ-DJXAJUJTSA-N 487.506 5.552 50 10 JKGE Cc1c(Br)sc([C@H](Br)[C@@H]2COC3(CCC3)CO2)c1Br 2338814819 VBRDHODZRMNUBE-WCBMZHEXSA-N 475.040 5.356 50 10 JKGE Cc1cc(Br)c(F)c(Br)c1[C@H](Br)[C@@H]1C2C[C@@H]3C1[C@@H]3C2 2339657630 ZTPKSEPJLWJLNT-JJKBRDRJSA-N 452.987 5.997 50 10 JKGE CCC(C)(CC)[C@H](Br)c1c(C)cc(Br)c(OC)c1Br 2339658045 DPXGGOYMOONCDW-CQSZACIVSA-N 457.044 6.791 50 10 JKGE Cc1c(OCc2cc(I)ccc2Br)ccnc1CBr 2341780111 NKFJIVQLAGMKPI-UHFFFAOYSA-N 496.968 5.231 50 10 JKGE C[C@@H](c1ccncc1F)[C@H](Br)c1ccc(I)c(Br)c1 2344694931 HNTROSSERPJCGK-RTHLEPHNSA-N 498.959 5.828 50 10 JKGE Brc1cc(CN2CC[C@H]3CC[C@@H](Br)[C@@H]2C3)ccc1I 2349838547 WFPGNMUGAYWAQF-HCKVZZMMSA-N 499.028 5.192 50 10 JKGE CC(C)n1ncc(Br)c1C[C@H](CBr)c1cccc(Br)c1 2367985365 KXJFAXJEUHDTQD-GFCCVEGCSA-N 465.027 5.710 50 10 JKGE Fc1cc(Br)c(F)c(Br)c1[C@H](Br)C[C@H]1CC[C@H]1C1CC1 2368175772 AWQQPLOEZNSKTB-KXUCPTDWSA-N 472.993 6.752 50 10 JKGE CC(C)C[C@@H](CBr)CN1C[C@@H]2CC(F)(F)CC[C@]2(NC(=O)OC(C)(C)C)C1 2382175702 IYZPLSWYIBKISU-BXWFABGCSA-N 453.412 5.058 50 10 JKGE CCSc1sc(CC)cc1[C@@H]1C(C#N)=C(N)N(c2cccc(Cl)c2C)C2=C1C(=O)CCC2 9982173 KPIQGPVMHADBKN-JOCHJYFZSA-N 484.090 6.689 50 10 JKGE C/C(=N\NC(=O)CSc1nnc(-c2ccccc2)n1-c1ccccc1)c1ccccc1Cl 15354403 NDFYONIMQBYTHT-YZSQISJMSA-N 461.978 5.220 50 10 JKGE CCc1ccc(-c2cc(C(=O)N/N=C(\C)c3ccccc3OC(C)C)c3cccc(Cl)c3n2)cc1 20212760 NBCQFMNEIRKUQS-BIZUNTBRSA-N 486.015 7.059 50 10 JKGE Cc1ccccc1N/C(SCc1cccc(Cl)c1)=C(/C#N)S(=O)(=O)c1ccccc1 20325166 YVVHAKBRSMQWOA-GHVJWSGMSA-N 455.004 6.160 50 10 JKGE COc1ccc(/C=N/NC(=O)c2ccc([N+](=O)[O-])cc2Cl)cc1CSc1nc2ccccc2o1 27500456 UQVXDYKECFNDDR-BRJLIKDPSA-N 496.932 5.454 50 10 JKGE CCc1ccc(NC(=O)/C(C#N)=C\c2c(C)n(Cc3ccc(Cl)cc3Cl)c3ccccc23)cc1 33879310 NWOAMTQKDZICIQ-STZFKDTASA-N 488.418 7.413 50 10 JKGE COc1ccc(-c2nn(-c3ccccc3)cc2/C=C(\C#N)c2nc(O)c3ccccc3n2)cc1C 34988461 RSCAWLQCYXGBHB-HMMYKYKNSA-N 459.509 5.569 50 10 JKGE Cc1ccc(-c2csc(/C(C#N)=C/c3cn(-c4ccccc4)nc3-c3cccc4ccccc34)n2)cc1 35519257 WSJVJZMTBXIKEG-XIEYBQDHSA-N 494.623 8.189 50 10 JKGE CCCCOc1ccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4ccccc4F)ccc32)cc1 38650857 OIMFIYMLRPMAPQ-RUZDIDTESA-N 458.489 5.442 50 10 JKGE N#CC1=C(N)Oc2cc(OC(=O)c3ccc([N+](=O)[O-])cc3)ccc2[C@H]1c1cccc2ccccc12 38657734 AOUZKDYZKOKGCV-RUZDIDTESA-N 463.449 5.185 50 10 JKGE COc1ccc(OC)c([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4ccc(Cl)cc4Cl)ccc32)c1 38659770 WRGSOLSQRRGJMT-QHCPKHFHSA-N 497.334 5.448 50 10 JKGE CC(C)(C)c1ccc(C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@@H]3c2c(Cl)cccc2Cl)cc1 38679479 XXEROOXRYRXZOA-HSZRJFAPSA-N 493.390 6.728 50 10 JKGE CCCOc1cccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)COc4ccc(CC)cc4)ccc32)c1 38684484 MXSMHTIHBQDSKT-NDEPHWFRSA-N 484.552 5.240 50 10 JKGE N#C/C(=C\c1ccc(-c2ccc([N+](=O)[O-])cc2Cl)o1)C(=O)Nc1cc(Cl)ccc1Cl 39884601 LAQBICMUZMTDSV-YRNVUSSQSA-N 462.676 6.361 50 10 JKGE COc1cccc(C(=O)N/N=C2\CCCc3oc(C(=O)Oc4cc(C)c(Cl)c(C)c4)c(C)c32)c1 40822483 NAXZRPBSRVVBFR-VFCFBJKWSA-N 480.948 5.556 50 10 JKGE O=C(COc1ccc(-c2ccccc2)cc1Br)N/N=C/c1c(F)cccc1Cl 40852236 ZLONIOWVVJQCIM-BRJLIKDPSA-N 461.718 5.438 50 10 JKGE CC1=CC(/C=N\NC(=O)CC[C@@H](O)c2ccccc2)=C(C)[C@@H]1c1ccc(OCc2ccccc2)cc1 58890589 IRNRIQQPEMIKLQ-VLLHJQSOSA-N 480.608 6.241 50 10 JKGE C=CCc1cc(/C=N\NC(=O)CC[C@H](O)c2ccccc2)ccc1OCc1cccc2ccccc12 58891851 GJWAKXLCHVUUPP-YJQDUFNZSA-N 478.592 6.111 50 10 JKGE CCCCC1CCC(C(=O)N2c3ccc(C(=O)[C@@H](Br)CCC)cc3C[C@H]2C)CC1 71432536 RDAHZXNNIDKWLD-SQOVAUKPSA-N 462.472 6.707 50 10 JKGE CCOc1cc(/C=C(/C#N)C(=O)Nc2ccccc2[N+](=O)[O-])ccc1OCc1cccc2ccccc12 96401917 BMSNUGUQZMJXRK-KQWNVCNZSA-N 493.519 6.271 50 10 JKGE COc1cccc(/C=C(/C#N)C(=O)Nc2ccccc2C(F)(F)F)c1OCc1ccccc1Cl 96586002 CKWGXKSRVGTSHO-AQTBWJFISA-N 486.877 6.492 50 10 JKGE N#C/C(=C/Nc1ccccc1I)c1nc(-c2cccc([N+](=O)[O-])c2)cs1 100481137 CLWOWALFXAHSFP-RAXLEYEMSA-N 474.283 5.299 50 10 JKGE Fc1ccccc1C(CBr)(CBr)Cc1c(Cl)cccc1Cl 118878288 BEQGMAZTHZNVGU-UHFFFAOYSA-N 454.992 6.403 50 10 JKGE Cc1cc([C@H](Br)c2ccc(Br)cc2Cl)sc1Br 126223712 KOTDWROTFIGKBU-LLVKDONJSA-N 459.428 6.719 50 10 JKGE Brc1cc([C@@H](Br)c2cc3c(s2)CCSC3)c(Br)s1 130420451 HDLPMKDSXRFRBL-LLVKDONJSA-N 489.117 6.608 50 10 JKGE Cc1cc(Br)c([C@@H](Br)c2ccccc2C(C)(C)C)cc1Br 132915596 BGMLQFGTABLZIJ-KRWDZBQOSA-N 475.062 7.302 50 10 JKGE Cl[C@H](c1cc(Br)ccc1Br)c1ccc(Br)c2ccccc12 161112219 MXBZXLFLDLQLRI-KRWDZBQOSA-N 489.432 7.456 50 10 JKGE Fc1cccc([C@@H](Br)c2cc(Br)sc2Br)c1Cl 165441908 VEEQRXQPCOAUMF-SECBINFHSA-N 463.391 6.550 50 10 JKGE CC1=C(C#N)C(=O)N(C2CCCCC2)C(=O)/C1=C\c1cn(-c2ccccc2)nc1-c1cc(C)ccc1C 214363009 WAAJTCJPJPQTLS-PKAZHMFMSA-N 490.607 6.081 50 10 JKGE CCCOc1ccc([C@H](Br)c2cccc(Br)c2)cc1Br 229006399 TYSKTLVQDQUYSB-MRXNPFEDSA-N 463.007 6.485 50 10 JKGE COc1cc(C)c(Br)cc1[C@@H](Br)c1cc(Cl)cc(Br)c1 234795875 AYWHZDFHDYCJAW-HNNXBMFYSA-N 483.425 6.666 50 10 JKGE Clc1ccc([C@@H](Cl)c2cc(I)ccc2Br)cc1Cl 236040718 GFTUIMDHXSYMHJ-CYBMUJFWSA-N 476.366 6.689 50 10 JKGE COc1cc(C=NNC(=O)c2cc(Br)ccc2OC)ccc1OCc1ccc(C)cc1 252641175 ZAWYIWVBKBODHW-UHFFFAOYSA-N 483.362 5.118 50 10 JKGE COc1cc(C=NNC(=O)CSc2cc(C)nc3ccc(C)cc23)ccc1OCc1ccc(C)cc1 254371781 AXDZWXVWLYNZHR-UHFFFAOYSA-N 499.636 5.990 50 10 JKGE BrCc1cc(I)c(I)c2ccsc12 306608188 IZZWAMHRLRAIEY-UHFFFAOYSA-N 478.918 5.005 50 10 JKGE Brc1cc(Br)cc([C@@H]2CCC[C@H](CI)O2)c1 394511552 BFZJKSHMWZJPHY-NEPJUHHUSA-N 459.947 5.257 50 10 JKGE CN(C(=O)OC(C)(C)C)c1cccc([C@H]2CN(CCO[Si](C)(C)C(C)(C)C)CCCO2)c1 616597813 GIZCQRUIYNKZHL-JOCHJYFZSA-N 464.723 5.843 50 10 JKGE Cc1cc([C@@H](Cl)c2ccc(I)c(Br)c2)c(C)cc1Cl 721606944 YBIAQJNXCZCKDV-HNNXBMFYSA-N 469.975 6.652 50 10 JKGE Cc1ccc(C(C)C)c(OCC(=O)NN=C2C(=O)N(Cc3ccccc3Cl)c3ccccc32)c1 1083911901 ZGKACQIYIVFSQG-UHFFFAOYSA-N 475.976 5.218 50 10 JKGE Cc1ccccc1SCC(=O)NN=C1C(=O)N(Cc2c(Cl)cccc2Cl)c2ccccc21 1084201054 FIDXBZVXLBWUCI-UHFFFAOYSA-N 484.408 5.461 50 10 JKGE COc1cc(C=NNC(=O)COc2ccc(Cl)cc2)ccc1OCc1cccc2ccccc12 1084390822 TZRFWVMSDPSTRX-UHFFFAOYSA-N 474.944 5.610 50 10 JKGE COc1cc(/C=C(/C#N)C(=O)Nc2cccc([N+](=O)[O-])c2)ccc1OCc1c(Cl)cccc1Cl 1084403700 KSKLPFIKIXHHJQ-YBEGLDIGSA-N 498.322 6.035 50 10 JKGE O=C(Nc1ccc(Cl)cc1Cl)NN(CC(F)(F)F)C(=O)Nc1ccc(Cl)cc1Cl 1088699452 VHHYEYGNDOINSB-UHFFFAOYSA-N 490.096 6.433 50 10 JKGE N#C/C(=C\Nc1ccc(OC(F)(F)F)cc1)[C@@H]1C(=O)C=C[C@@H]1Nc1ccc(OC(F)(F)F)cc1 1088741855 QHYHQOYTPOBUQO-ZLQXRBMWSA-N 483.368 5.539 50 10 JKGE CCOc1ccc([C@H]2CN(Cc3ccccc3)C[C@H]2CI)cc1OCC 1614714133 KGAWFRVZEPTDNX-WOJBJXKFSA-N 465.375 5.135 50 10 JKGE CC(C)c1ccc([C@@H]2C(C#N)=C(N)Oc3c2c(-c2ccccc2)nn3Cc2ccc(Cl)cc2)cc1 1865686052 QEGFAXGAYAKGET-RUZDIDTESA-N 480.999 6.593 50 10 JKGE CCCCOc1ccc([C@H]2C(C#N)=C(N)Oc3c2c(-c2ccc(OC)cc2)nn3CC)cc1OCC 1865687104 JMSLUQWGMCZOIA-DEOSSOPVSA-N 488.588 5.374 50 10 JKGE CCc1nn(Cc2ccccc2)c2c1[C@@H](c1ccc(OCc3ccccc3)cc1)C(C#N)=C(N)O2 1865690223 LUIFGQLXKXVKEF-SANMLTNESA-N 462.553 5.291 50 10 JKGE CC(C)[C@@H](/C(O)=C(\C#N)c1nc(-c2ccc(Cl)cc2Cl)cs1)N1C(=O)c2ccccc2C1=O 1872745121 WUAXSVDJJAOYOF-HOJYTFPLSA-N 498.391 6.230 50 10 JKGE Cc1ccc(-c2csc(/C(C#N)=C(O)/C=C/c3ccc(OCc4ccccc4)cc3)n2)c(C)c1 1872748747 MFJBLTWIFSJZGL-ZLDLXXMFSA-N 464.590 7.512 50 10 JKGE COc1c(Cl)cc(Cl)cc1-c1csc(/C(C#N)=C(\O)c2ccc(OC(C)=O)cc2)n1 1872754226 JAIKUBCJPCRCDW-MNDPQUGUSA-N 461.326 6.001 50 10 JKGE COc1ccc(-c2csc(/C(C#N)=C(\O)CN3C(=O)COc4ccc(Cl)cc43)n2)c(C)c1C 1872754411 RGRFIMMTYNJDPL-JZJYNLBNSA-N 481.961 5.307 50 10 JKGE COc1cc(/C=C(\C#N)c2nc(-c3ccc(C)cc3)cs2)cc(Br)c1OC(C)C 1872790801 FZMXSOMTSMCSPH-GIJQJNRQSA-N 469.404 6.741 50 10 JKGE COc1ccc(C(C)(C)C)cc1-c1csc(/C(C#N)=C/c2ccc(OCc3ccccc3)cc2)n1 1872793041 FFLJCUWUFAWMMD-XQNSMLJCSA-N 480.633 7.759 50 10 JKGE O=C(N[C@H](CCCl)COCc1ccccc1)c1scc(Br)c1Br 1902915088 XVZNWERFYXUOOP-GFCCVEGCSA-N 481.637 5.217 50 10 JKGE Clc1c(Br)sc(Br)c1[C@H](Br)[C@H]1[C@H]2COCC[C@H]21 1908306759 OIYHLIHYQKDWFV-BYPJNBLXSA-N 465.432 5.645 50 10 JKGE C[C@@]12CC[C@@](CBr)(C1)N(Cc1ccc(Br)cc1Br)C2 1911484846 LNPUWTKCDVJGCA-CABCVRRESA-N 452.028 5.351 50 10 JKGE Cc1cc([C@H](Cl)c2sc(Br)c(C)c2Br)ccc1Br 1922942090 QFCRNCARCDYUFZ-NSHDSACASA-N 473.455 6.981 50 10 JKGE FC(F)Oc1ccccc1[C@H](Br)c1sc(Br)cc1Br 1922954221 LYYZPQXLEGNSDC-JTQLQIEISA-N 476.962 6.359 50 10 JKGE Clc1c(Br)sc(Br)c1[C@H](Br)C12CCC(CC1)C2 1923062535 RKNVRHWCXQOSFD-HTARLIKDSA-N 463.460 6.943 50 10 JKGE FC(F)(C1CC1)[C@H](Br)c1c(Br)sc(Br)c1Cl 1923074065 GJMOAHQVYBXAGD-ZCFIWIBFSA-N 459.375 6.408 50 10 JKGE Clc1c(Br)sc(Br)c1[C@@H](Br)C1CC2(CCCCC2)C1 1923074812 RXQYSGIQJYHXMU-JTQLQIEISA-N 491.514 7.723 50 10 JKGE C[C@@H]1O[C@H](C)[C@H]([C@@H](Cl)c2c(Br)sc(Br)c2Br)[C@H]1C 1924590867 MIGJYHFWLMTHMR-WHSPXTGCSA-N 481.475 6.375 50 10 JKGE Cc1scc([C@H](Cl)c2c(Br)sc(Br)c2Br)c1C 1924604629 FRXFSADSONBRMM-VIFPVBQESA-N 479.484 7.042 50 10 JKGE Fc1ccc([C@@H](Br)Cc2ncccc2Br)c(I)c1 1924859927 CCSXGQTZCSBLBI-NSHDSACASA-N 484.932 5.267 50 10 JKGE O=C(N[C@@H](CBr)CC1CCCCC1)c1csc(Br)c1Br 1926725713 XWSOCVQNTJIMAD-SNVBAGLBSA-N 488.083 5.737 50 10 JKGE Cc1cc(Br)sc1[C@@H](Br)c1cccc(OCc2ccccc2)c1 1939453875 UEOWKHGOZSZAMA-SFHVURJKSA-N 452.211 6.882 50 10 JKGE Cc1cc(Br)sc1[C@H](Br)c1cc(Cl)cc(Br)c1 1950208916 WQNHIQZOZYOZDR-LLVKDONJSA-N 459.428 6.719 50 10 JKGE CN[C@@H](c1c(Br)sc(Br)c1Cl)C1CC(Br)C1 1991410730 KEGXLLZZINAONJ-MPKXYMLHSA-N 452.437 5.361 50 10 JKGE Clc1cccc(Cl)c1C[C@H](Br)c1sccc1I 1998126627 VPNMBRPRGYHMJY-QMMMGPOBSA-N 461.977 6.338 50 10 JKGE Brc1csc([C@H](Br)c2cc(C3CC3)c(Br)s2)c1 2004905369 WECQUQXEOFEAEO-NSHDSACASA-N 457.050 6.696 50 10 JKGE FC1(F)CCC([C@H](Br)c2cc(Br)sc2Br)CC1 2008372979 KNPQZBVDPTYXGO-VIFPVBQESA-N 452.984 6.535 50 10 JKGE O=S(=O)(c1ccc(CBr)c(Br)c1)N(Cc1ccccc1)C1CCC1 2009709777 ABUAISQIBRWQNT-UHFFFAOYSA-N 473.230 5.087 50 10 JKGE FC(F)([C@@H]1CCOC1)[C@@H](Br)c1sc(Br)cc1Br 2012976054 YECLUIWMQIYEJN-ANLVUFKYSA-N 454.956 5.381 50 10 JKGE CCCC1([C@@H](Br)c2c(Br)sc(Br)c2Cl)CCC1 2015637433 IWGWMJBMXUJLOY-VIFPVBQESA-N 465.476 7.333 50 10 JKGE CCCc1ccc([C@@H](Br)c2ccc(I)c(Cl)c2)s1 2027130663 HCABJWADPPGHOR-AWEZNQCLSA-N 455.586 6.443 50 10 JKGE Cc1sc([C@@H](Br)c2c(Cl)cccc2Br)c(C)c1Br 2050317656 NZCZDRYDNNGFAB-LBPRGKRZSA-N 473.455 7.028 50 10 JKGE Fc1cc(Br)cc(N2C[C@H]3C[C@H]2CN(Cc2ccccc2)C3)c1CBr 2051132181 WAXQNDROKRMEOF-RDJZCZTQSA-N 468.208 5.194 50 10 JKGE CC[C@H](C)N(Cc1ccccc1)S(=O)(=O)c1cc(CBr)c(Cl)cc1Cl 2059289192 OOHZPVFTGXIJLF-ZDUSSCGKSA-N 465.240 5.878 50 10 JKGE COC[C@@H]1CC[C@H]([C@H](Cl)c2c(Br)sc(Br)c2Br)C1 2061293792 UDFVDFBANZPTPD-FWWHASMVSA-N 481.475 6.378 50 10 JKGE Cc1cc(F)c(F)cc1[C@H](Br)c1cc(Br)c(Br)s1 2083953352 PMRZYZGIELYQHB-NSHDSACASA-N 460.963 6.344 50 10 JKGE COCc1cc(Br)c([C@@H](Cl)c2cccc(Br)c2Br)s1 2092336051 TYAFTDPAFZIYCX-LBPRGKRZSA-N 489.454 6.510 50 10 JKGE ClCc1c(Br)cccc1OCc1c(Br)cccc1Br 2094094128 YDAIVJLBFCRZIL-UHFFFAOYSA-N 469.398 6.292 50 10 JKGE BrCC1C[C@@H]2CC[C@H](C1)N2Cc1c(Br)cccc1Br 2094102178 MHCDYCGISANDMX-YOGCLGLASA-N 452.028 5.350 50 10 JKGE CN(Cc1cc(Cl)ccc1I)C[C@@H](Br)C1CCCC1 2111354083 QLYQPEDFNDTJDH-CQSZACIVSA-N 456.593 5.330 50 10 JKGE FC(F)c1cccc([C@@H](Br)c2c(Br)sc(Br)c2Cl)c1 2115947428 JDXKBVODPYNCEV-MRVPVSSYSA-N 495.408 7.348 50 10 JKGE Cc1cc(Br)c(C)c([C@H](Br)[C@@H]2C[C@H]2C(F)(F)F)c1Br 2136372655 VAXMWSRQAWEOOR-DNSOKLHBSA-N 464.945 6.463 50 10 JKGE Cc1cc(Br)c(C)c([C@@H](Br)[C@H]2C[C@H]3CC[C@H]2O3)c1Br 2136384702 SPFBUWXGXWFFGJ-HMDURAKOSA-N 453.012 5.832 50 10 JKGE Cc1cc(F)c(Cl)cc1[C@H](Br)c1cc(Cl)ccc1I 2137072340 ZOEVRLPWKVYGPX-AWEZNQCLSA-N 473.938 6.530 50 10 JKGE COc1c(Cl)cc(Br)cc1[C@H](Br)c1cnn(C)c1Br 2138249252 XABFOXKXMWVMDD-JTQLQIEISA-N 473.390 5.091 50 10 JKGE Clc1cc(C[C@@H]2C[C@@H]3CCCC[C@@H]3[C@@H]2Br)ccc1I 2142951802 CLGCNUVVODKWPW-RSUWNVLCSA-N 453.589 6.077 50 10 JKGE CC(C)(C)c1ccc([C@@H](Br)c2c(Br)cccc2Br)cc1 2150493318 KWYXFISIAGFWFS-MRXNPFEDSA-N 461.035 6.993 50 10 JKGE ClCCc1nc2cc(Br)c(Cl)cc2n1C[C@@H]1CCCN1Cc1ccccc1 2159872869 ALFXJGJYQASBEA-INIZCTEOSA-N 467.238 5.898 50 10 JKGE CCOc1ccc(Br)cc1[C@H](Br)c1c(Cl)cccc1Br 2169463951 OQLCHNDFKAFGCX-HNNXBMFYSA-N 483.425 6.748 50 10 JKGE FC1(F)CCC2(CC1)[C@@H](Oc1ccc(I)cc1)C[C@H]2Br 2177596159 PBUYSYYYRSDSPE-OLZOCXBDSA-N 457.096 5.402 50 10 JKGE Cc1cc(S(=O)(=O)N(Cc2ccccc2)[C@@H](C)c2cccs2)ccc1CBr 2179788652 FVZSLJGTRKYGOP-KRWDZBQOSA-N 464.450 5.904 50 10 JKGE CC1(C)CCCN(C(=O)c2cc(Br)ccc2Br)[C@H]1CBr 2185809301 ZBCFTTBKDMLNIO-ZDUSSCGKSA-N 468.027 5.237 50 10 JKGE Cc1cc(Br)c(C)c([C@@H](Br)[C@H]2CC23CC(F)(F)C3)c1Br 2201071447 FMSWBNNJCMOIEI-RNCFNFMXSA-N 472.993 6.700 50 10 JKGE Cc1c(Br)ccc([C@@H](Br)c2ccc(F)c(F)c2F)c1Br 2203689470 YEVDXGPRCOXUGU-GFCCVEGCSA-N 472.924 6.422 50 10 JKGE Clc1cc(Br)ccc1C[C@@H](Cl)c1sc(Br)cc1Br 2221705051 WWOQEXGOALFYEV-SNVBAGLBSA-N 493.873 7.212 50 10 JKGE ClCCc1nc2ccc(Br)cc2n1C[C@H]1CC1(Br)Br 2224804971 LWMBDRSUHKHHNU-MRVPVSSYSA-N 471.418 5.086 50 10 JKGE Fc1ccc([C@@H](Cl)c2ccc(Br)cc2I)c(F)c1F 2225928911 YWKVDKMQMXVHAJ-NSHDSACASA-N 461.446 5.799 50 10 JKGE Cc1sc([C@@H](Br)c2c(Br)cc(F)c(Cl)c2F)cc1Br 2226087359 BRGPOTZILGPHCX-SNVBAGLBSA-N 495.408 6.997 50 10 JKGE Cc1cc(Br)c([C@H](Cl)c2scc(C(F)(F)F)c2Br)s1 2229326120 RLMWYTZPWGJORE-QMMMGPOBSA-N 454.558 6.990 50 10 JKGE CCOc1ccc([C@@H](Cl)c2ccc(C)c(I)c2)cc1Br 2232832741 GKIVOZUDDXNDKJ-MRXNPFEDSA-N 465.556 6.089 50 10 JKGE Fc1cc(F)c([C@@H](Cl)c2cc(Br)ccc2Br)c(F)c1Br 2236104116 WXJBMSUNFDZMLN-LBPRGKRZSA-N 493.342 6.720 50 10 JKGE Cc1sc([C@@H](Br)c2scc(Br)c2Cl)c(C)c1Br 2246464403 BQMCFDRNQPXCDU-MRVPVSSYSA-N 479.484 7.089 50 10 JKGE CCc1cc([C@@H](Br)c2cccc(F)c2Br)sc1Br 2255989568 UZRDABPGFKOQMI-LBPRGKRZSA-N 457.000 6.459 50 10 JKGE Fc1cc(Br)c(F)c(Br)c1[C@H](Br)[C@@H]1CC[C@@H](F)C1 2260084095 ZRKGPLUBOIOTHM-OXOINMOOSA-N 450.918 6.064 50 10 JKGE CN(Cc1cccc(I)c1)c1ccc(CBr)cc1Br 2265532408 JFNNDACPPYGXEV-UHFFFAOYSA-N 494.996 5.585 50 10 JKGE Cc1cc(Br)c([C@@H](Br)C[C@@H]2CCCC23CC3)cc1Br 2266625366 ADDFXALKURYVGO-NHYWBVRUSA-N 451.040 6.926 50 10 JKGE CCc1sc(Br)cc1[C@@H](Br)c1cc(F)c(Br)cc1Cl 2267749849 PNLXZCXLLNJOPK-ZDUSSCGKSA-N 491.445 7.112 50 10 JKGE COc1ccc([C@@H](Br)c2cc(C)c(Br)o2)c(Br)c1Cl 2268282492 XLWHRWRNUPDTRE-SNVBAGLBSA-N 473.386 6.259 50 10 JKGE CC(C)(C)OC(=O)NC[C@@H]1C[C@@H](C(F)(F)F)CCN1CCCCCCCBr 2294701161 OJZZDKNAHNOATO-HOTGVXAUSA-N 459.391 5.499 50 10 JKGE FC1(F)C[C@]12CC[C@H]([C@H](Br)Cc1cc(Br)cc(Br)c1)C2 2295329464 IUDTZAZHAADALR-ZLKJLUDKSA-N 472.993 6.343 50 10 JKGE COC12CCC([C@@H](Br)Cc3cc(Br)cc(Br)c3)(CC1)C2 2295335628 MOSPTSZIMKEDMY-FHERZECASA-N 467.039 5.867 50 10 JKGE Brc1cc2sc([C@@H](Br)c3cc4c(s3)CCSC4)cc2s1 2295508018 ABHKXNKSMUULGK-AWEZNQCLSA-N 466.310 7.060 50 10 JKGE COC(=O)c1cc(C(C)C)sc1NC(=O)C(C#N)=Cc1c[nH]nc1-c1ccc(Br)cc1 2295669965 RHDGURMZHQNMHU-UHFFFAOYSA-N 499.390 5.356 50 10 JKGE Cc1cccc(NC(=O)C(C#N)=C2S[C@H](Cc3ccccc3Cl)C(=O)N2c2ccccc2C)c1 2296507101 SYNUGUMXLWAXII-XMMPIXPASA-N 488.012 6.022 50 10 JKGE C=CCNC(=O)C(C#N)=Cc1cn(-c2ccccc2)nc1-c1ccc(OCCCCCC)cc1 2296705125 SQXYHZBYVACTRG-UHFFFAOYSA-N 454.574 5.708 50 10 JKGE CCOc1ccc(-c2nn(-c3ccccc3)cc2C=C(C#N)C(=O)Nc2cccc(OC)c2)cc1C 2296720358 WRPULUUUMLZDND-UHFFFAOYSA-N 478.552 5.801 50 10 JKGE CCOc1cc(C=C(C#N)C(=O)Nc2nc3ccccc3s2)ccc1OCc1ccccc1C 2297500408 WFHRXQLZMZEPRK-UHFFFAOYSA-N 469.566 6.128 50 10 JKGE CCOc1cc(C=C(C#N)C(=O)Nc2cccc(SC)c2)ccc1OCc1ccccc1OCC#N 2297577051 PARVIVKDQWJBOM-UHFFFAOYSA-N 499.592 5.834 50 10 JKGE Brc1cc(OCc2ccccc2)ccc1[C@H](Br)CCC1CCCC1 2299530004 HVKPMYMOFSRXRH-HXUWFJFHSA-N 452.230 7.435 50 10 JKGE COc1cc(C=C(C#N)C(=O)Nc2ccc(C)cc2)c(Br)cc1OCc1cccc(C)c1 2313568470 SYRNSLOHSMTDBI-UHFFFAOYSA-N 491.385 6.199 50 10 JKGE Cc1ccc(NC(=O)C(C#N)=Cc2cc(Br)ccc2OCc2cccc(C)c2)cc1 2313570856 HUWFJXXHKLQATM-UHFFFAOYSA-N 461.359 6.191 50 10 JKGE C=CCc1cc(C=C(C#N)C(=O)Nc2cccc(Cl)c2Cl)cc(OC)c1OCC(=O)OCC 2313571354 UFXRRYMRDOGXIF-UHFFFAOYSA-N 489.355 5.218 50 10 JKGE Fc1ccc(Cl)c([C@@H](Br)c2cc(Br)ccc2OCc2ccccc2)c1 2314448253 GJPIICCDXAAEEZ-HXUWFJFHSA-N 484.590 7.305 50 10 JKGE COc1c([C@H](Cl)c2cc(Br)ccc2OCc2ccccc2)csc1Cl 2314497973 PLYKNHBGQCFNBK-QGZVFWFLSA-N 458.204 7.080 50 10 JKGE Brc1cc(OCc2ccccc2)ccc1[C@@H](Br)C1CCC2(CC1)CC2 2314501706 AIKSEOFULYHDKB-NRFANRHFSA-N 464.241 7.435 50 10 JKGE Clc1cc(I)c([C@H](Br)[C@@H]2C[C@H]2C2CCCCC2)s1 2316596822 JQXXKBQWRYIMGW-OPQQBVKSSA-N 459.618 6.659 50 10 JKGE ClCc1ccnc(Oc2cc(Br)cc(I)c2)c1Cl 2316722836 UAZDRVXPINHJRJ-UHFFFAOYSA-N 458.908 5.633 50 10 JKGE Fc1cncc(Oc2cc(Br)cc(I)c2)c1CBr 2316756686 AAZBYHVAJINYEL-UHFFFAOYSA-N 486.904 5.275 50 10 JKGE Cc1cc(Br)c(F)c(Br)c1[C@H](Cl)c1sccc1Br 2317395590 KBYTZKAETLQJFG-JTQLQIEISA-N 477.418 6.811 50 10 JKGE CC(C)(C)[C@@H]1CC[C@@H]1[C@@H](Br)c1ccc(OCc2ccccc2)cc1Br 2320103352 LSLAQTGFSKBQQY-FBBABVLZSA-N 466.257 7.536 50 10 JKGE COCCOc1ccc(C=C(C#N)C(=O)NCC[C@H](C)c2cccc(-c3ccc(O)cc3)c2)cc1 2331117822 OWACUZHPDOCVMK-NRFANRHFSA-N 470.569 5.301 50 10 JKGE CCCCc1ccc(-c2csc(C(C#N)=C(O)c3cc([N+](=O)[O-])cc([N+](=O)[O-])c3)n2)cc1 2331259440 FQLOYKVWQSQQES-UHFFFAOYSA-N 450.476 5.919 50 10 JKGE COc1ccc(-c2csc(C(C#N)=C(O)CCCOc3cc(C)c(Cl)c(C)c3)n2)cc1F 2331336132 PJUNZXCCUSGQCH-UHFFFAOYSA-N 472.969 6.880 50 10 JKGE CCCc1ccc(OCC(O)=C(C#N)c2nc(-c3cc(C)c(Cl)cc3OC)cs2)cc1 2331390082 HDXJGUJZGGGPDT-UHFFFAOYSA-N 454.979 6.605 50 10 JKGE CCc1ccc(-c2csc(C(C#N)=Cc3ccc(OCc4ccc(C)cc4)c(OC)c3)n2)cc1 2331417756 NREFXJXAFRSBDH-UHFFFAOYSA-N 466.606 7.333 50 10 JKGE COc1cc(C=C(C#N)c2nc(-c3ccccc3OC)cs2)ccc1OCc1ccccc1 2331434671 KJEXDCCXAIPLTG-UHFFFAOYSA-N 454.551 6.470 50 10 JKGE CCOc1cc(C=C(C#N)c2nc(-c3ccc4c(c3)OCCO4)cs2)ccc1OCc1ccccc1 2331451214 BSQPNTCHCWSTED-UHFFFAOYSA-N 496.588 6.623 50 10 JKGE COC12CCC([C@@H](Br)c3ccc(OCc4ccccc4)cc3Br)(CC1)C2 2336043635 GQEWCEZROCKJLP-HWELCPFYSA-N 480.240 6.813 50 10 JKGE Fc1cccc(Cl)c1C[C@@H](Br)c1cc(Br)ccc1OCc1ccccc1 2336046893 IALOCDRVUSHUNC-GOSISDBHSA-N 498.617 7.499 50 10 JKGE CC1(C)CCC[C@@H]([C@H](Br)c2cc(Br)ccc2OCc2ccccc2)CC1 2336077109 FKUYTKYAOLRCBG-GCJKJVERSA-N 480.284 8.071 50 10 JKGE Fc1c(Br)cc(Cl)c([C@H](Br)C(C2CC2)C2CC2)c1Br 2337114498 QVQXGGNEYDTJIF-GFCCVEGCSA-N 475.421 6.876 50 10 JKGE FC1(F)C2(CCC2)[C@@]1(CBr)Cc1ccc(Cl)c(I)c1 2337227390 KDXJHXUIXKHDKG-ZDUSSCGKSA-N 461.515 5.688 50 10 JKGE C[C@H]1C[C@H]2C[C@]([C@H](Br)Cc3cc(Br)cc(Br)c3)(C2)O1 2342805661 OPBGKQJAWHQNPX-YZENIEGJSA-N 453.012 5.475 50 10 JKGE Clc1cc(Br)c(COc2c(Cl)cc(CBr)cc2Cl)s1 2345958724 TUSOZCUZNWYQQK-UHFFFAOYSA-N 465.421 6.945 50 10 JKGE C[C@@H]1[C@H](Br)C[C@H]2CC[C@H]1N2Cc1ccc(I)c(Br)c1 2349848250 QZFSNELULUYVLO-SDBHATRESA-N 499.028 5.190 50 10 JKGE Clc1ccc(I)cc1COc1cccc(CBr)c1Cl 2352349521 AZXCRSFQOKFBRE-UHFFFAOYSA-N 471.947 6.072 50 10 JKGE Cc1cc(Br)c([C@H](Br)[C@H]2OC[C@@H]3CCC[C@H]23)c(C)c1Br 2358673043 GIPQLHIZDCCZDZ-GREKMHCPSA-N 467.039 6.080 50 10 JKGE BrCC(CBr)(C[C@H]1C[C@@H]2CC[C@H]1C2)c1ccccc1Br 2359364473 FPJVELRBJFNDBO-HZSPNIEDSA-N 465.067 6.303 50 10 JKGE CN(Cc1c(Br)c(Br)nn1C)c1cc(Cl)ccc1CBr 2364376627 MQGVPEKAQJINJR-UHFFFAOYSA-N 486.433 5.130 50 10 JKGE CCOC1CC(C[C@H](Br)c2c(C)cc(Br)c(F)c2Br)C1 2365181133 UYJIFTILLBUJMO-ILDUYXDCSA-N 473.018 6.300 50 10 JKGE Clc1ccc([C@@H](Br)c2ccc3c(c2)CCCO3)c(I)c1 2365598419 QDQVVMOWFQEIRA-INIZCTEOSA-N 463.540 5.754 50 10 JKGE O=C(N[C@@H](CCBr)COCc1ccccc1)c1ccc(C(F)(F)F)c(Cl)c1 2369431161 NOYPNSGHSHYWJC-HNNXBMFYSA-N 464.709 5.459 50 10 JKGE FC(F)(F)c1ccc(CBr)c(Oc2ccc(I)cc2)n1 2369834941 RSYIIOJOLMFSQJ-UHFFFAOYSA-N 458.015 5.392 50 10 JKGE Cc1cc(Br)c(C(C)C)cc1[C@H](Br)c1cc(C)c(Br)o1 2380945546 XLWNXOBTJYTAQP-HNNXBMFYSA-N 465.023 7.029 50 10 JKGE Cc1ccc(CBr)c(OCc2ncc(Br)cc2Cl)c1Br 2381130091 UELQFKYEPJSPCA-UHFFFAOYSA-N 484.413 6.042 50 10 JKGE CCOc1cc(/C=N/NC(=O)[C@H]2CC2(c2ccccc2)c2ccccc2)cc(Br)c1O 3144764 OTOUYIOPZJVADH-CSWGWEJPSA-N 479.374 5.010 50 10 JKGE CCSc1ccsc1[C@@H]1C(C#N)=C(N)N(c2ccc(C)c(Cl)c2)C2=C1C(=O)CCC2 9982091 QQMWFIHSEIGEBU-HXUWFJFHSA-N 456.036 6.127 50 10 JKGE C[C@@H](Oc1ccc(Cl)cc1Cl)C(=O)NNC(=O)c1ccc(C(C)(C)C)c(Br)c1 12492716 ADNQEMCQQHISCV-LLVKDONJSA-N 488.209 5.282 50 10 JKGE CCc1ccc(OCC(=O)N/N=C/c2ccccc2OCc2ccccc2)c(Br)c1 13977539 KMDCKBMZKWBXBZ-CVKSISIWSA-N 467.363 5.120 50 10 JKGE Cc1ccc(NC(=O)/C(C#N)=C2/S[C@H](Cc3cccc(Cl)c3)C(=O)N2c2ccc(F)cc2)cc1 33579570 DFIGKHHWVHIIPP-QPQMVVSWSA-N 491.975 5.853 50 10 JKGE Cc1cccn2c(=O)c(/C=C(/C#N)c3nc4ccccc4[nH]3)c(Oc3ccc(C(C)(C)C)cc3)nc12 34829186 XDRWLFLHFPQTNA-MNDPQUGUSA-N 475.552 6.033 50 10 JKGE O=C(NNc1ncnc(Nc2ccc(Cl)cc2)c1[N+](=O)[O-])C(c1ccccc1)c1ccccc1 40649087 IIZWJFZAVWVPMP-UHFFFAOYSA-N 474.908 5.057 50 10 JKGE CCCCCCOc1ccc(/C=N/NC(=O)COc2c(C)cc(Br)cc2C)cc1OC 40888482 AKVLZTKOVAIFIZ-CVKSISIWSA-N 491.426 5.563 50 10 JKGE COc1cc(/C=N/NC(=O)COc2cc(C)cc(C)c2C)ccc1OCc1ccccc1Cl 40888508 RIMATOOXCYEKKH-CCVNUDIWSA-N 466.965 5.382 50 10 JKGE COc1cc(/C=C\C#N)ccc1OC(=O)COc1cc(C)c(Cl)c(C)c1Br 41017296 KTGJLGRYZOUEBD-PLNGDYQASA-N 450.716 5.249 50 10 JKGE N#C/C(=C/c1ccc(OCc2ccc(Cl)c(Cl)c2)cc1)C(=O)Nc1ccccc1Cl 59117297 BUGWQMWPZCLPKG-BOPFTXTBSA-N 457.744 6.771 50 10 JKGE Cc1cc(/C=N/NC(=O)Cc2cccc(C(F)(F)F)c2)c(C)n1-c1ccc(Cl)c(C(=O)O)c1 59136519 BLKGRECGEAXVCJ-KVSWJAHQSA-N 477.870 5.157 50 10 JKGE CN(C)c1ccc(C(=O)N/N=C2/C(=O)N(C(c3ccccc3)c3ccccc3)c3ccccc32)cc1 59153632 COUOMQKRGXJBOF-TVKQRKNISA-N 474.564 5.023 50 10 JKGE Cc1ccc(-c2ccccc2)n1-c1ccc(C(=O)N/N=C/c2ccc(O)c(Br)c2)cc1 59304277 KHDMLMKAAMHSIC-JVWAILMASA-N 474.358 5.685 50 10 JKGE Cc1cc(C)c(/C(CSc2nc3ccccc3s2)=N\NC(=O)c2ccccc2O)cc1C 59460789 KBADZRXSDLLXMC-MEFGMAGPSA-N 461.612 5.854 50 10 JKGE CC(C)N1CC2=C(OC(N)=C(C#N)[C@H]2c2ccc(Cl)cc2)/C(=C\c2ccc(Cl)cc2)C1 98064685 SDVIFSNPLNJRHI-NUZRTGFDSA-N 452.385 5.863 50 10 JKGE COc1ccc(-c2csc(/C(C#N)=C\Nc3ccc(Br)cc3C)n2)cc1OC 102937491 ACPITZSASBZUAH-PTNGSMBKSA-N 456.365 5.875 50 10 JKGE COc1ccc(Cl)cc1[C@@H](Br)c1cc(Br)ccc1Br 109844537 NTBQFAJOPNUZQN-AWEZNQCLSA-N 469.398 6.358 50 10 JKGE COc1ccc([C@@H](Br)c2sc(C)cc2Br)cc1Br 114961617 UCJSTMOQMAGOQY-GFCCVEGCSA-N 455.009 6.074 50 10 JKGE COc1ccccc1C[C@@H](Br)c1cc(Br)c(Br)s1 128254796 XBQRYAOQKJJFBZ-SECBINFHSA-N 455.009 5.960 50 10 JKGE Cc1ccc(Br)c([C@H](Cl)c2cc(Br)ccc2Br)c1 161276870 QIBYZCUZWRAACL-AWEZNQCLSA-N 453.399 6.611 50 10 JKGE CCCOc1c(Cl)cc(/C=N\NC(=O)c2ccc3[nH]c4c(c3c2)CCCC4)cc1OCC 169890121 VJOATKMAIJSMHY-DICXZTSXSA-N 453.970 5.652 50 10 JKGE CCCCCCOc1ccc(/C=C(/C#N)C(=O)Nc2ccc(C(=O)OCCOC)cc2)cc1OC 206237299 NKLGKKNOXUEGLN-XLNRJJMWSA-N 480.561 5.003 50 10 JKGE CCCCCCOc1ccc(/C=C(/C#N)C(=O)Nc2ccc(C(=O)OC(C)C)cc2)cc1OC 206237486 PLTUSJSVMJEBTG-JWGURIENSA-N 464.562 5.765 50 10 JKGE Cc1ccc2nc(-c3ccc(N/C=C(/C#N)C(=O)Nc4ccc(Br)cc4)cc3)sc2c1 216792060 SUXUSDZHNBUERD-VKAVYKQESA-N 489.398 6.492 50 10 JKGE Cc1ccc2nc(-c3ccc(N/C=C(/C#N)C(=O)N[C@@H](C)c4ccc5c(c4)CCCC5)cc3)sc2c1 217203691 JISXQCANNMRSEW-FVBVXOILSA-N 492.648 6.847 50 10 JKGE CC(C)(CCCBr)CNC(=O)c1cc(Br)cc(Br)c1 227928148 XTOGTQPFYDBQCR-UHFFFAOYSA-N 456.016 5.143 50 10 JKGE O=C(Nc1cccc(CBr)c1)c1cc(Br)sc1Br 232451859 TXOPACHGJAAWRN-UHFFFAOYSA-N 453.981 5.420 50 10 JKGE COc1cc(F)c([C@@H](Br)c2cccc(C)c2I)c(F)c1 234990293 KHFSDJIKALTRRJ-AWEZNQCLSA-N 453.064 5.371 50 10 JKGE COc1ccc([C@H](Br)c2cc(I)ccc2Br)c(C)c1 234995208 ZNECUDMCEWJESN-HNNXBMFYSA-N 495.980 5.855 50 10 JKGE C[C@H](c1ccccn1)[C@H](Br)c1cc(I)ccc1Br 235286425 HYMFDODRNBKYRL-OTYXRUKQSA-N 480.969 5.688 50 10 JKGE Fc1ccc(F)c([C@@H](Br)c2cc(Br)ccc2I)c1 236166315 WMVRYLIXJDRIEE-CYBMUJFWSA-N 487.907 5.816 50 10 JKGE Cc1ccc(-c2nn(-c3ccccc3)cc2C=NNC(=O)COc2cc(C)ccc2C(C)C)cc1 254394823 SITZHKSIFQHMCT-UHFFFAOYSA-N 466.585 5.809 50 10 JKGE CCOc1ccc2ccccc2c1C=NNC(=O)Cn1cnc2sc(C)c(-c3ccccc3)c2c1=O 254708701 UPDSGJKEYUFFDP-UHFFFAOYSA-N 496.592 5.136 50 10 JKGE C/C(C=NNC(=O)c1cc(-c2ccc(OCc3ccccc3Cl)cc2)n[nH]1)=C/c1ccccc1 254764430 WBNFWSNJGKAXBF-MGXRQLKWSA-N 470.960 6.128 50 10 JKGE COc1cc(C)c(Br)cc1[C@H](Br)c1c(C)cccc1Br 312458707 ADYBPKNQXZFILS-INIZCTEOSA-N 463.007 6.321 50 10 JKGE C[C@@H](Cl)c1nc2cnccc2n1-c1ccc(Br)c(I)c1 312613745 QLGYBJVHVJCYJC-MRVPVSSYSA-N 462.516 5.087 50 10 JKGE Fc1cccc(COc2c(Br)cc(Br)cc2CBr)c1 381773521 WXGZFELPDZXBFX-UHFFFAOYSA-N 452.943 5.825 50 10 JKGE Cc1cccc([C@@H](Br)c2cc(I)cc3c2OCC3)c1Cl 383244561 GKZZISGMOOPYRZ-CQSZACIVSA-N 463.540 5.672 50 10 JKGE COc1cc([C@H]2CN(C(=O)OCc3ccccc3)C[C@@H]2CI)ccc1Cl 394797945 RGWVGOGXSAQROY-DLBZAZTESA-N 485.749 5.136 50 10 JKGE CC(C)(C)[Si](C)(C)OCCc1cccc([C@@H]2CCCN(S(=O)(=O)c3ccccc3)C2)c1 616619896 KYKFEFQLWKXYOG-HSZRJFAPSA-N 459.728 5.819 50 10 JKGE CC(C)(C)OC(=O)Nc1ccc([C@H]2CCOCCN2CCO[Si](C)(C)C(C)(C)C)cc1 616655578 GOKMPIPBBHXEJQ-OAQYLSRUSA-N 450.696 5.819 50 10 JKGE BrCC(CBr)(Cc1ccsc1Br)C1CCOCC1 696811153 DHJRQIVSZDDHIF-UHFFFAOYSA-N 461.057 5.256 50 10 JKGE Cc1cc(Br)c([C@H](Br)C(C)(C)C(F)(F)F)cc1Br 700638959 HBWNTWPPRHCIJX-JTQLQIEISA-N 452.934 6.545 50 10 JKGE CN(C(=O)c1scc(Br)c1Br)[C@H]1CCCC[C@H]1Br 705408965 KLGNJXBFEQLIGM-APPZFPTMSA-N 460.029 5.051 50 10 JKGE CN(Cc1ccccc1)[C@@H](Cn1c(CCl)nc2cc(Br)c(F)cc21)C1CC1 717997531 OEJJZAOEXTZAOY-FQEVSTJZSA-N 450.783 5.587 50 10 JKGE Cc1ccc(Br)c([C@@H](Br)c2sc(C)c(Br)c2C)c1 724928422 MPJRHINNIBYFJO-CYBMUJFWSA-N 453.037 6.683 50 10 JKGE Cc1cc(Br)cc([C@H](Br)c2sc(C)c(Br)c2C)c1 724929074 UOAGZVNSJITYAL-ZDUSSCGKSA-N 453.037 6.683 50 10 JKGE CC(=O)O[C@H](/C=C/C(=O)O)Cc1ccc(O[Si](C)(C)C(C)(C)C)c(O[Si](C)(C)C(C)(C)C)c1 888085528 LMGLXLZVTOPYBQ-UPTIQUDWSA-N 494.777 6.570 50 10 JKGE C=CCOc1c(I)cc(/C=C(\C#N)C(=O)Nc2ccc(C)cc2C)cc1OC 1084134748 LVEUAKORBJYXSY-LICLKQGHSA-N 488.325 5.027 50 10 JKGE Cc1cc(C=NNC(=O)C(=O)Nc2ccc(Cl)cc2)c(C)n1-c1cccc(Cl)c1Cl 1084556819 YUFFPCSSJSUIQV-UHFFFAOYSA-N 463.752 5.143 50 10 JKGE CC(C)(C)N(NC(=O)Nc1cc(F)ccc1F)C(=O)c1cc(Cl)cc(Cl)c1Cl 1615947002 XJBJIPYDBIZYBU-UHFFFAOYSA-N 450.700 5.902 50 10 JKGE C[C@H]1C[C@@H]2[C@H](C(=O)C[C@@]3(C)[C@H]2CC[C@]3(O)C(=O)CO[Si](C)(C)C(C)(C)C)[C@]2(C)C=CC(=O)C=C12 1848432553 FYVRZHLKXNGJHP-ANEPGNOESA-N 486.725 5.041 50 10 JKGE COc1cccc([C@H]2C(C#N)=C(N)Oc3c2c(-c2ccccc2)nn3Cc2ccccc2Cl)c1O 1865684275 PFITTZJMDZUCSI-QFIPXVFZSA-N 484.943 5.184 50 10 JKGE CCCc1nn(-c2ccc(Br)cc2)c2c1[C@@H](c1ccc(C(C)C)cc1)C(C#N)=C(N)O2 1865684847 ABMMHFXGMDYNPC-QFIPXVFZSA-N 477.406 5.929 50 10 JKGE CCOc1ccc([C@H]2C(C#N)=C(N)Oc3c2c(-c2ccc(OC)cc2)nn3CC(C)C)cc1OCC 1865690024 ZJOOAEZZRLBHIH-DEOSSOPVSA-N 488.588 5.230 50 10 JKGE CCCOc1cccc([C@H]2C(C#N)=C(N)Oc3c2c(-c2ccccc2)nn3Cc2cccc(F)c2)c1 1865693073 HLMDMSXDHQAJLG-VWLOTQADSA-N 480.543 5.744 50 10 JKGE CCCc1nn(Cc2ccccc2Cl)c2c1[C@H](c1ccc(OCC)c(OC)c1)C(C#N)=C(N)O2 1865695571 QAEDGTBUSCIHBQ-HSZRJFAPSA-N 478.980 5.163 50 10 JKGE CCCCOc1ccc([C@@H]2C(C#N)=C(N)Oc3c2c(CCC)nn3Cc2ccccc2F)cc1OC 1865697154 OIJRUKWBNWFBTG-RUZDIDTESA-N 490.579 5.429 50 10 JKGE COc1ccc(-c2nn(Cc3ccccc3)c3c2[C@H](c2sccc2C)C(C#N)=C(N)O3)cc1 1865698739 BOZVGAVBMNPXCV-OAQYLSRUSA-N 454.555 5.195 50 10 JKGE CCCc1nn(CCC)c2c1[C@@H](c1ccc(OCc3ccccc3Cl)cc1)C(C#N)=C(N)O2 1865703919 IRQAJHXUUVKMSL-QHCPKHFHSA-N 462.981 5.696 50 10 JKGE CCc1nc(Nc2ccc(SC#N)cc2)cc(N2CCS[C@@H](c3ccc(OC)cc3)C2)n1 1868278008 PCBJVXBNNIGQSD-OAQYLSRUSA-N 463.632 5.659 50 10 JKGE COc1cc(OC)c(OC)cc1/C=C1\Oc2cc(OCc3cccc(CCl)c3)ccc2C1=O 1871437276 PKDKASHBMCQOLR-GATIEOLUSA-N 466.917 5.646 50 10 JKGE N#C/C(=C(/O)c1cc(C(F)(F)F)cc(C(F)(F)F)c1)c1nc(-c2ccc3c(c2)CCCC3)cs1 1872745644 WYIJSBRZNJJMBG-VZCXRCSSSA-N 494.460 7.676 50 10 JKGE N#C/C(=C(/O)COc1ccc(Cl)cc1Cl)c1nc(-c2ccc(Cl)c(Cl)c2)cs1 1872749227 HOECBDCCGHVTDE-ATVHPVEESA-N 472.180 7.295 50 10 JKGE CC(C)(C)c1ccc(-c2csc(/C(C#N)=C(\O)CCCOc3ccc(Cl)cc3)n2)cc1 1872750630 IMYXJXFZFLLIQB-LNVKXUELSA-N 453.007 7.413 50 10 JKGE COc1cc(Cl)c(C)cc1-c1csc(/C(C#N)=C(\O)CCCOc2ccccc2C)n1 1872756931 IDVDXYJNNRVQPA-UZYVYHOESA-N 454.979 6.741 50 10 JKGE CCCOc1ccc(/C=C(\C#N)c2nc(-c3ccc(OCCC)c(OCCC)c3)cs2)cc1 1872790290 XTRSRYAOTPZTJU-CJLVFECKSA-N 462.615 7.241 50 10 JKGE CCCOc1ccc(/C=C(\C#N)c2nc(-c3cc(Cl)cc(C)c3OC)cs2)cc1OCC 1872794174 NFVMTLKCFQPTPV-WOJGMQOQSA-N 469.006 7.032 50 10 JKGE CC(C)(C)OC(=O)NCCCCCC(=O)N/N=C/c1ccc(OCc2c(F)cccc2Cl)cc1 1873795238 DERHJTLJMIDGIZ-MUFRIFMGSA-N 491.991 5.593 50 10 JKGE CC(C)(C)c1ccc(OCCC/C(O)=C(\C#N)c2nc(-c3cccc([N+](=O)[O-])c3)cs2)cc1 1873940782 HEAJPMOYZYMBOQ-LNVKXUELSA-N 463.559 6.668 50 10 JKGE CCC[C@H]1CC[C@H]([C@@H](Br)c2sc(Br)c(C)c2Br)CC1 1878020076 KFHTYRBPGHKRAA-NQBHXWOUSA-N 473.112 7.624 50 10 JKGE Brc1cccc(C[C@@H]2CCCCCCCC[C@H]2Br)c1Br 1913416877 RIBZBVNEDJMCLQ-DZGCQCFKSA-N 467.083 7.268 50 10 JKGE C[C@H](Br)CN(Cc1ccccc1)S(=O)(=O)c1cc(Cl)c(Br)s1 1914633533 NGWDMYPIIFWXNH-JTQLQIEISA-N 487.666 5.138 50 10 JKGE Cc1c(Br)sc([C@@H](Br)[C@@H]2CCCc3ccccc32)c1Br 1922886836 YHWACVQFBUKDFD-OCCSQVGLSA-N 479.075 7.138 50 10 JKGE Cc1c(Br)sc([C@@H](Cl)c2sncc2Br)c1Br 1922906252 HXFQPDBUYTTZEK-LURJTMIESA-N 466.445 6.129 50 10 JKGE Cc1c(Br)sc([C@H](Br)c2c(F)ccc(F)c2F)c1Br 1922920544 IIZZSJGOWHIYHT-SECBINFHSA-N 478.953 6.483 50 10 JKGE CC[C@H](c1ccccc1)[C@H](Br)c1c(Br)sc(Br)c1Cl 1923067484 DBLUTJSDOCHCCT-KOLCDFICSA-N 487.482 7.556 50 10 JKGE Brc1sc(Br)c([C@@H](Br)[C@H]2CCCCO2)c1Br 1924579585 HNOHRHRCDRSANW-VDTYLAMSSA-N 497.872 6.041 50 10 JKGE Cl[C@@H](c1c(Br)sc(Br)c1Br)[C@@H]1CCCCO1 1924579781 JXJWHTOSVVCLRQ-YLWLKBPMSA-N 453.421 5.885 50 10 JKGE C[C@@H]1O[C@H](C)[C@H]([C@H](Cl)c2c(Br)sc(Br)c2Br)[C@H]1C 1924590866 MIGJYHFWLMTHMR-RBNHTGKDSA-N 481.475 6.375 50 10 JKGE Cl[C@H](C[C@@H]1C[C@@H]1C1CC1)c1c(Br)sc(Br)c1Br 1924612915 OZELRXHUAWBQIE-XLPZGREQSA-N 463.460 6.752 50 10 JKGE Clc1sc(Br)c(Cl)c1[C@@H](Br)[C@@H]1CCOc2ccccc21 1925597501 FHCOBWILZWMMLN-KCJUWKMLSA-N 457.014 6.820 50 10 JKGE Clc1cc(Br)c([C@@H](Cl)c2ccc(I)c(Cl)c2)s1 1948824324 XGKGPBFYEZFLBX-JTQLQIEISA-N 482.395 6.750 50 10 JKGE CC(C)(C)OC(=O)N1CC(N(CC2(CBr)CCCCC2)OCc2ccccc2)C1 1974632348 QVHSZJBZYAYPKP-UHFFFAOYSA-N 467.448 5.385 50 10 JKGE COc1ccc([C@@H](Br)c2cc(I)sn2)c(Br)c1 2007646379 XGWQRXIJSVTZGO-LLVKDONJSA-N 488.970 5.003 50 10 JKGE CCc1sc(Br)cc1[C@@H](Cl)c1cccc(C)c1I 2030219223 ISUHCVWHKTUYKU-ZDUSSCGKSA-N 455.586 6.314 50 10 JKGE Cc1cc([C@H](Br)c2scc(C)c2Br)c(C)cc1Br 2039336880 ZVVGPEZRQANZSU-ZDUSSCGKSA-N 453.037 6.683 50 10 JKGE C[C@]1(C(F)(F)F)C[C@H]1[C@H](Cl)c1c(Br)sc(Br)c1Br 2043569164 HBOZYQNFUWMUAZ-PVBTVSRDSA-N 491.392 6.904 50 10 JKGE FC1(F)CCC[C@@H]2[C@H]([C@@H](Br)c3sc(Br)cc3Br)[C@H]21 2051237154 BLDFJBTYSKUREH-MYMYLCHPSA-N 464.995 6.391 50 10 JKGE COc1c(Cl)cc(Br)cc1[C@H](Cl)c1cscc1OCc1ccccc1 2082860973 IHZBTOVGVXPQGO-SFHVURJKSA-N 458.204 7.080 50 10 JKGE CC(C)Cc1ccccc1[C@@H](Br)c1cc(Br)c(Br)s1 2089373057 TUDKUXWAJOJVLU-CQSZACIVSA-N 467.064 6.956 50 10 JKGE COc1ccc([C@H](Br)c2cccc(Br)c2Br)cc1Cl 2092329220 TXMQLZPZRKTCAK-ZDUSSCGKSA-N 469.398 6.358 50 10 JKGE Clc1csc([C@@H](Br)c2csc3c(Br)cccc23)c1Cl 2096221955 QJNLIKAUTBBUGU-JTQLQIEISA-N 457.039 7.516 50 10 JKGE O=C(NC1CCCCC1)[C@H](Cl)c1ccc(OCc2ccccc2)c(OCc2ccccc2)c1 2134723284 MKGUNCQSTQRMME-HHHXNRCGSA-N 464.005 6.573 50 10 JKGE CCc1nc([C@@H](Br)c2cc(Br)c(Cl)cc2C)c(Br)s1 2137638776 AARVJOMTPKQFKS-NSHDSACASA-N 488.470 6.677 50 10 JKGE Cc1c(Br)ccc([C@@H](Br)C[C@@H]2CC(C)(C)CO2)c1Br 2138861100 GBJKAOFXRZVSOO-MFKMUULPSA-N 455.028 6.161 50 10 JKGE Cc1cc(Br)cc([C@H](Cl)c2ccc(Br)c(C)c2Br)c1 2138861523 HAZJRBIZSIPJFI-HNNXBMFYSA-N 467.426 6.919 50 10 JKGE Cc1c(Br)ccc([C@H](Br)[C@]23COC[C@H]2C3(F)F)c1Br 2138871087 MCZATRFNHSDAIE-USWWRNFRSA-N 460.938 5.238 50 10 JKGE ClC[C@@H](Cc1ccc(I)c(Cl)c1)c1cccc(Br)c1 2142940745 PTQJVVQEDXTIHA-GFCCVEGCSA-N 469.975 6.272 50 10 JKGE C[C@H](Br)C12CCC(CC1)N2Cc1ccc(I)c(Cl)c1 2142949971 NUFGQKJYXJGXTR-VLRKGOCCSA-N 454.577 5.225 50 10 JKGE Fc1ccc([C@H](Cl)c2cc(Br)c3c(c2)CCO3)c(I)c1 2146619263 GYBJTOJNNYJGFD-CQSZACIVSA-N 467.503 5.456 50 10 JKGE C[C@@H]1CC[C@H](C(C)(C)Cc2c(Br)cccc2Br)[C@@H](Br)C1 2150494086 ONOOYCRUYFEACY-FFSVYQOJSA-N 467.083 6.980 50 10 JKGE ClCc1ccc(Br)c(Cl)c1N1CCC2(CCN(Cc3ccccc3)C2)CC1 2163332722 DFQYARYCQJINFM-UHFFFAOYSA-N 468.266 6.334 50 10 JKGE O=C(c1cc(Br)c(Br)s1)N1C[C@@]2(CBr)CCC[C@]2(F)C1 2176629669 FPKQFXKWZZKFRR-STQMWFEESA-N 490.030 5.002 50 10 JKGE CCn1ncc(Br)c1[C@@H](Br)c1cc(Br)cc(Cl)c1OC 2203013630 XNNITTMDRWRHDV-NSHDSACASA-N 487.417 5.574 50 10 JKGE Cc1c(Br)csc1[C@@H](Cl)c1c(Br)sc(Br)c1Cl 2213774235 MLPWFFUQFFTUHL-LURJTMIESA-N 499.902 7.387 50 10 JKGE Brc1cc([C@H](Br)[C@@H]2OC[C@@H]3CCCC[C@@H]32)sc1Br 2218097360 FHXHRQOKKAOMPT-RJVLYZLMSA-N 459.041 5.914 50 10 JKGE Cc1cc([C@H](Br)c2c(Cl)sc(Cl)c2Cl)cc(C)c1Br 2227422541 UFEXMDXDJQLHGU-JTQLQIEISA-N 463.449 7.572 50 10 JKGE C[C@H](Cl)c1nc2ccc(Cl)c(Cl)c2n1C[C@@H]1CC1(Br)Br 2233037951 DLXYWKDJFGFHPK-BQBZGAKWSA-N 461.412 6.149 50 10 JKGE Cc1cc(Br)c([C@@H](Cl)c2c(C)cccc2Br)c(C)c1Br 2235603161 HWJMBATWLQDBFJ-INIZCTEOSA-N 481.453 7.228 50 10 JKGE Cc1sc(CN(C)c2ccc(CBr)cc2Br)c(Br)c1C 2237723893 GFPZYUXRCFXHCH-UHFFFAOYSA-N 482.079 6.421 50 10 JKGE Fc1ccc(Br)cc1[C@@H](Br)c1ccc2c(c1Br)CCO2 2238082452 OJCWDYHPESBPEV-HNNXBMFYSA-N 464.954 5.770 50 10 JKGE COc1ccc([C@H](Br)c2cc(Br)sc2Br)c(C)c1C 2269178524 RCRONUBVNJBQDI-ZDUSSCGKSA-N 469.036 6.383 50 10 JKGE Cl[C@@H](c1ccc(C2CCC2)s1)c1cc(Br)ccc1I 2271972251 YRKBXSHRHJQSGS-OAHLLOKOSA-N 467.597 6.711 50 10 JKGE Brc1cc(Br)cc(C[C@H](Br)[C@@]23CCC[C@@H](C2)OC3)c1 2277951964 BVJVPIFDIBVQQQ-KKUMJFAQSA-N 453.012 5.477 50 10 JKGE COc1cc(OC)c([C@H](Br)c2csnc2Br)cc1Br 2278021588 WMAFHYYXMKAAEV-NSHDSACASA-N 471.996 5.170 50 10 JKGE CC1CC(CBr)(CN(C2CC2)[C@H](CCNC(=O)OC(C)(C)C)C(F)(F)F)C1 2280049927 IVPVENFRRLKRPM-NSWWBONSSA-N 457.375 5.108 50 10 JKGE CCOCc1cc(Br)c([C@H](Br)c2csc(Cl)c2OC)s1 2284310008 OMGUUEWDCAUMDB-SNVBAGLBSA-N 460.640 6.255 50 10 JKGE Fc1cc(Cl)ccc1[C@H](Br)c1c(F)cc(Br)c(F)c1Br 2288348849 JKVKYOSYZCGBTC-NSHDSACASA-N 493.342 6.767 50 10 JKGE Cc1nn(C)c(Br)c1[C@H](Cl)c1c(F)cc(Br)c(F)c1Br 2288359253 QECCURKVUUKIRF-JTQLQIEISA-N 493.371 5.622 50 10 JKGE CC1(C)CCC(C)(C)[C@@H](Cc2cc(Cl)ccc2I)[C@@H]1Br 2290332685 KEGTVPAOALGSHN-ZFWWWQNUSA-N 469.632 6.713 50 10 JKGE CCCCOc1ccc(C=C(C#N)C(=O)Nc2ncc(Cc3cccc(Cl)c3Cl)s2)cc1 2293038566 LXVWSGSOQDSZBA-UHFFFAOYSA-N 486.424 6.765 50 10 JKGE CC[C@H](C)c1ccc(OCCn2c(C)c(C=C(C#N)c3ccc([N+](=O)[O-])cc3)c3ccccc32)cc1 2293202022 OBVFCKHQJNOWAT-NRFANRHFSA-N 479.580 7.515 50 10 JKGE Cc1ccc(C=C(C#N)C(=O)N2N=C3C(=Cc4ccccc4)CCC[C@H]3[C@@H]2c2ccccc2)cc1 2297021081 FXTNDRZPXFXGSK-DGPALRBDSA-N 457.577 6.725 50 10 JKGE N#CC(=Cc1c(Oc2ccc(Cl)cc2Cl)nc2ccccn2c1=O)c1nc2ccccc2[nH]1 2297470422 VIGCGGSZYCKWDE-UHFFFAOYSA-N 474.307 5.734 50 10 JKGE Brc1cc(OCc2ccccc2)ccc1[C@H](Br)[C@H]1[C@@H]2CCCO[C@@H]21 2299493176 FYAFMWGLUOVBOT-RNQOJCNYSA-N 452.186 5.889 50 10 JKGE FC[C@@H]1C[C@H]1[C@@H](Br)c1c(Cl)cc(Br)c(F)c1Br 2300168402 JJWPHTIMWGDMKP-OBXARNEKSA-N 453.346 6.046 50 10 JKGE N#CC(=Cc1cn(Cc2ccc(Cl)c(Cl)c2)c2ccccc12)C(=O)NC1CCCCC1 2313541229 JRZXLTWLCNENSU-UHFFFAOYSA-N 452.385 6.352 50 10 JKGE Cc1ccc(COc2ccc(Br)cc2C=C(C#N)C(=O)Nc2cccc(Cl)c2)cc1 2313631052 JMPRVPDQNVWXBL-UHFFFAOYSA-N 481.777 6.536 50 10 JKGE N#CC(=Cc1cccc(OCc2ccc(Cl)cc2Cl)c1)C(=O)Nc1cccc([N+](=O)[O-])c1 2313730305 MONRYQMKTORMLM-UHFFFAOYSA-N 468.296 6.026 50 10 JKGE CCOc1cc(C=C(C#N)C(=O)Nc2cccc3ccccc23)ccc1OC(=O)c1ccc(OC)cc1 2313738932 ZIXYFOBVCYICLL-UHFFFAOYSA-N 492.531 6.012 50 10 JKGE Fc1cc(Cl)c(Br)c(Cl)c1[C@@H](Cl)c1ccc(Br)s1 2313748494 JINVSKNEYOSPLK-JTQLQIEISA-N 453.385 7.047 50 10 JKGE Cc1ccc([C@@H](Br)c2ccc(OCc3ccccc3)cc2Br)c(F)c1 2314448096 DYVPQQBQJLBEJF-NRFANRHFSA-N 464.172 6.960 50 10 JKGE Cc1ccc([C@H](Cl)c2cc(Br)ccc2OCc2ccccc2)c(Br)c1 2314450066 VSYSRTICBHGWFL-NRFANRHFSA-N 480.627 7.427 50 10 JKGE CCOc1ccc(C=C(C#N)C(=O)Nc2nc(-c3ccc(Cl)cc3)c(C)s2)cc1OC 2314753726 CRPQXYSYRBSQRM-UHFFFAOYSA-N 453.951 5.725 50 10 JKGE C[C@@H]1COC[C@H]1[C@H](Br)c1c(Cl)cc(Br)c(F)c1Br 2315445879 QNEBFMABQGPALE-DGAHNEANSA-N 465.382 5.723 50 10 JKGE Clc1cc(I)c([C@H](Br)c2cc3ncccc3s2)s1 2316776817 HFVXUPLBQZDGHQ-LLVKDONJSA-N 470.582 6.100 50 10 JKGE FC(F)(F)CC1([C@@H](Br)c2sc(Cl)cc2I)CCC1 2316777758 PXMLQLHUKZZIAG-VIFPVBQESA-N 473.523 6.565 50 10 JKGE O=C(NN=Cc1ccc(Br)cc1F)c1ccc(-c2ccc3ccccc3c2)s1 2325901991 KTSFZOHKMAFSFT-UHFFFAOYSA-N 453.336 6.234 50 10 JKGE COc1ccc(OC)c(C=CC(O)=C(C#N)c2nc(-c3ccc(-c4ccccc4)cc3)cs2)c1 2331232051 MYWIMODJWUHUHS-UHFFFAOYSA-N 466.562 7.000 50 10 JKGE CC[C@H](C)[C@H](C(O)=C(C#N)c1nc(-c2ccc3ccccc3c2)cs1)N1C(=O)c2ccccc2C1=O 2331239247 XPDZEYOKQPOVCI-SSOJOUAXSA-N 493.588 6.467 50 10 JKGE CCOc1ccc(C=CC(O)=C(C#N)c2nc(-c3ccc(Br)cc3)cs2)cc1 2331260667 YDTNMNJIBVOHFH-UHFFFAOYSA-N 453.361 6.477 50 10 JKGE N#CC(=C(O)C=Cc1ccc([N+](=O)[O-])cc1)c1nc(-c2cccc(Br)c2)cs1 2331278856 OXAZCPCKMRRGDZ-UHFFFAOYSA-N 454.305 5.987 50 10 JKGE COC(=O)c1ccccc1N1C[C@@H](C(O)=C(C#N)c2nc(-c3ccc(C)cc3C)cs2)CC1=O 2331310725 BJDWEFNWQBGOOL-KRWDZBQOSA-N 473.554 5.059 50 10 JKGE COc1ccc(CCN2C[C@@H](C(O)=C(C#N)c3nc(-c4ccc(C)cc4)cs3)CC2=O)cc1OC 2331312267 AVURCEPTCFQUQX-FQEVSTJZSA-N 489.597 5.020 50 10 JKGE CCCCCCCOc1ccc(-c2csc(C(C#N)=C(O)C3CCC(CCCC)CC3)n2)cc1 2331345898 HUBMSJKGXKFCNC-UHFFFAOYSA-N 480.718 8.949 50 10 JKGE COc1c(C)cc(C)cc1-c1csc(C(C#N)=C(O)[C@@H](C)Oc2ccc(Cl)cc2Cl)n1 2331376247 OVQNFKHOVDRGIF-CQSZACIVSA-N 475.397 7.003 50 10 JKGE Cc1cc(C)c(-c2csc(C(C#N)=C(O)CCCOc3ccc(Cl)cc3Cl)n2)c(C)c1 2331394397 BPECOMZKZNZAPM-UHFFFAOYSA-N 473.425 7.694 50 10 JKGE CCOc1cc(C=C(C#N)c2nc(-c3ccc4c(c3)CCCC4)cs2)cc(Br)c1O 2331416693 PBTCDMHMNFGJQX-UHFFFAOYSA-N 481.415 6.620 50 10 JKGE CCOc1c(Br)cc(C=C(C#N)c2nc(-c3cccc4ccccc34)cs2)cc1OC 2331456905 VCLVWHZRMQUPIB-UHFFFAOYSA-N 491.410 7.197 50 10 JKGE CCCOc1ccc(C=C(C#N)c2nc(-c3ccc(Oc4ccccc4)cc3)cs2)cc1OCC 2331464349 CZLOEDPBVOWFAD-UHFFFAOYSA-N 482.605 7.854 50 10 JKGE COc1cc(C=C(C#N)c2nc(-c3ccc(OC)c(C)c3C)cs2)ccc1OCCc1ccccc1 2331467404 NGJARTBZXFEQFV-UHFFFAOYSA-N 496.632 7.130 50 10 JKGE Brc1ccc(OCc2ccccc2)c([C@@H](Br)c2cc3c(s2)CCCC3)c1 2336048577 VOAIQKPNDPFPBZ-JOCHJYFZSA-N 492.276 7.453 50 10 JKGE Clc1ccc(OCc2cc(Br)cc(Br)c2)c(CBr)c1 2337071470 SIEIJZDQYRKQAK-UHFFFAOYSA-N 469.398 6.339 50 10 JKGE Fc1c(Br)cc(Cl)c([C@H](Br)Cc2ccccc2)c1Br 2337091484 BBDAMGYVNKYAFL-SECBINFHSA-N 471.389 6.683 50 10 JKGE C[C@@H]1C[C@@H](C[C@@H](Br)c2c(Cl)cc(Br)c(F)c2Br)CO1 2337094338 NZVIYFQMZQBACL-GJMOJQLCSA-N 479.409 6.255 50 10 JKGE C[C@@H]1CCO[C@@H]1C[C@@H](Br)c1c(Cl)cc(Br)c(F)c1Br 2337094747 SGWUJFLDIYDJCP-BRDIYROLSA-N 479.409 6.255 50 10 JKGE CCC1(CC)[C@@H](Br)C[C@H]1OCc1cc(Br)cc(Br)c1 2337109268 NZYWNUSVZWRIIZ-UONOGXRCSA-N 455.028 6.070 50 10 JKGE Cc1c(F)ccc([C@H](Br)c2ccc(OCc3ccccc3)cc2Br)c1Cl 2338768619 SABDGRDTURKBIS-HXUWFJFHSA-N 498.617 7.613 50 10 JKGE CCN(C[C@](C)(CI)OC[C@H]1C[C@H]2CCC[C@H]1CC2)C(=O)OC(C)(C)C 2338899770 QQGMFCKEZGTCRO-UGNRZPKXSA-N 479.443 5.670 50 10 JKGE COc1c(Br)cc(C)c([C@@H](Br)[C@@H]2C[C@H]2C2CC2)c1Br 2339640430 YLGXUTQUHKRNLW-CWSCBRNRSA-N 453.012 6.011 50 10 JKGE Fc1cc(F)c([C@@H](Br)c2ccc(Cl)cc2I)cc1F 2340062136 WFSVKZDSFZSPNI-ZDUSSCGKSA-N 461.446 5.846 50 10 JKGE C[C@H]1CN(Cc2ccc(Cl)cc2I)CC[C@@H]1CCBr 2341009537 LIXNXSZCMOTLRI-RYUDHWBXSA-N 456.593 5.188 50 10 JKGE Clc1ccc(C[C@@]2(CBr)CCO[C@H]2C2CC2)c(I)c1 2341053890 ZTKMPJWUCHFZOA-LSDHHAIUSA-N 455.561 5.067 50 10 JKGE Clc1ccccc1[C@@H](CI)OCc1cccc(I)c1 2341611567 KNKIYAIJZKQCPV-OAHLLOKOSA-N 498.529 5.638 50 10 JKGE Cl[C@@H]1CN(Cc2ccc(I)c(Br)c2)CC2(CCC2)C1 2349849640 BUHPQTNDKYKMMC-LBPRGKRZSA-N 454.577 5.037 50 10 JKGE COCc1cc(Br)cc(C[C@H](Br)c2ccc(Br)cc2)c1 2362285011 SKJMLUGYLQHUKT-INIZCTEOSA-N 463.007 6.037 50 10 JKGE Cc1cc(Br)c(F)c(Br)c1[C@H](Br)CC[C@@H]1CCCCO1 2365178030 GRYXWDIQKRZQLP-WDEREUQCSA-N 473.018 6.444 50 10 JKGE COc1c(Br)cc(C)c([C@H](Br)[C@@H]2C3C[C@@H]4C2[C@@H]4C3)c1Br 2365192107 AGXJZPFQGUHFTL-HWHGSSKJSA-N 465.023 5.867 50 10 JKGE CC(C)CO[C@H]1[C@@H](OCc2c(Br)cccc2Br)C[C@H]1Br 2366185340 ULWLTKPHVRCNLA-QLFBSQMISA-N 471.027 5.305 50 10 JKGE CC[C@](CBr)(Cc1ccc(Cl)cc1I)c1ccccc1 2366716921 ZKELXGSKIAPUOL-QGZVFWFLSA-N 463.584 6.230 50 10 JKGE CCOC(=O)c1c(NC(=O)/C(C#N)=C\c2ccc(OCC)c(OC)c2)sc2c1[C@H](C)CCC2 1974887 IMEDMCCTDGACAC-UHVIJJLKSA-N 468.575 5.318 50 10 JKGE COc1ccc(C=NNC(=O)c2ccc3c(c2)OCO3)cc1COc1ccc(C(C)(C)C)cc1 15931459 BDFXMWRMOZEMJW-UHFFFAOYSA-N 460.530 5.064 50 10 JKGE COc1ccc(C[C@H]2S/C(=C(\C#N)C(=O)Nc3cccc(C)c3)N(c3ccccc3C)C2=O)cc1 33739585 XNIPGTDLTNDTPA-ZDDKYUFNSA-N 483.593 5.377 50 10 JKGE O=C(NNC(=O)c1ccccc1Cl)c1ccc2nc(-c3ccccc3)c(-c3ccccc3)nc2c1 33809158 KJIWKUQKXJWHLP-UHFFFAOYSA-N 478.939 5.692 50 10 JKGE COc1cc(/C=C(/C#N)c2ccccn2)ccc1OCC(=O)Nc1c(Cl)cccc1Cl 34807678 MKMXLKZKCBGRGT-WJDWOHSUSA-N 454.313 5.479 50 10 JKGE CCCCOc1cccc(C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@H]3c2ccc(C(C)C)cc2)c1 38649610 CSFNXLAHLHVHDY-NDEPHWFRSA-N 482.580 6.426 50 10 JKGE C[C@H](Oc1ccccc1F)C(=O)Oc1ccc2c(c1)OC(N)=C(C#N)[C@H]2c1ccccc1Cl 38651043 CGZJOPNYAWHAQP-PSLXWICFSA-N 464.880 5.070 50 10 JKGE CCCOc1ccccc1C(=O)Oc1ccc2c(c1)OC(N)=C(C#N)[C@H]2c1ccc(Cl)cc1 38651422 HSQYVFDDTOXVQJ-DEOSSOPVSA-N 460.917 5.566 50 10 JKGE N#CC1=C(N)Oc2cc(OC(=O)c3ccc([N+](=O)[O-])cc3)ccc2[C@H]1c1ccc(Cl)cc1Cl 38655271 XBVWJFSFTOSLDA-OAQYLSRUSA-N 482.279 5.339 50 10 JKGE Cc1c(C(=O)NCCc2cccs2)oc2c1/C(=N/NC(=O)c1ccc(Cl)cc1Cl)CCC2 40813766 KYYZXSCSNLQZFV-OVVQPSECSA-N 490.412 5.399 50 10 JKGE CCCCCCOc1ccc(/C=C(\C#N)C(=O)Nc2cccc(C(=O)OCCCC)c2)cc1OC 40853166 NZHQMUMFBOMQBZ-HAVVHWLPSA-N 478.589 6.157 50 10 JKGE O=C(COc1ccc(C2CCCCC2)cc1)N/N=C1\C(=O)N(C/C=C/c2ccccc2)c2ccccc21 59153938 JUELNAAISXZJNF-FNWNBXEMSA-N 493.607 5.694 50 10 JKGE O=C(CSc1c(Cl)c(Cl)c(Cl)c(Cl)c1Cl)N/N=C/c1ccc2c(c1)OCO2 59165753 XWWXWIOFUHLHPS-LKNXVUQUSA-N 486.591 5.925 50 10 JKGE CC1(C)[C@@H](Oc2c(Br)cc([N+](=O)[O-])cc2Br)C[C@H]1Br 97647069 UVVZMNVFUYVVDH-ZJUUUORDSA-N 457.944 5.061 50 10 JKGE CCCCCCCOc1ccc(/C=N/NC(=O)c2cccc(NC(=O)c3ccc(OC)cc3)c2)cc1 103016831 WKYRBNJQSKHVBP-MWAVMZGNSA-N 487.600 6.061 50 10 JKGE Brc1ccc([C@@H](Br)c2cc(Br)ccc2Br)cc1 109844441 QCGKWHQWLHTZJK-CYBMUJFWSA-N 483.823 6.458 50 10 JKGE COc1ccc([C@@H](Br)c2cc(Br)ccc2Br)cc1F 109844845 FTZCLCBXJOEIMV-CQSZACIVSA-N 452.943 5.844 50 10 JKGE Clc1ccc([C@H](Br)c2cc3c(cc2Br)OCCO3)c(Cl)c1 109865387 IOSOOWYZFVHNIP-HNNXBMFYSA-N 452.957 6.011 50 10 JKGE Cc1cc([C@H](Br)c2csc(I)c2)sc1Br 126782386 XBPVPOPHROVFRD-SECBINFHSA-N 478.012 5.969 50 10 JKGE Cc1cc(Br)c([C@@H](Cl)c2cc3c(s2)CCSC3)cc1Br 128642460 JIYPIPAURZGGTB-OAHLLOKOSA-N 452.664 6.699 50 10 JKGE Clc1cc([C@H](Br)c2cc3c(cc2Br)OCCO3)ccc1Br 129170986 BNDDDAPFIMEEIE-HNNXBMFYSA-N 497.408 6.121 50 10 JKGE COc1cc(Cl)c([C@H](Br)c2cccc(I)c2)cc1Cl 166999794 DGQRVBFBUIPQLE-CQSZACIVSA-N 471.947 6.091 50 10 JKGE COc1ccc(CNC(=O)/C(C#N)=C\Nc2ccc(-c3nc4ccc(C)cc4s3)cc2)cc1 216986350 PSKPDGAGSHCTOD-SILNSSARSA-N 454.555 5.416 50 10 JKGE CC[C@@H](NC(=O)/C(C#N)=C\NCCc1ccc(Br)cc1)c1ccc2c(c1)CCCC2 217193691 HLEAUWFNVWORFB-IAAPFODBSA-N 466.423 5.135 50 10 JKGE COc1cc(Br)c(Oc2ccc(Cl)cc2CBr)cc1Br 218338503 SGIUVORPAPQONR-UHFFFAOYSA-N 485.397 6.561 50 10 JKGE Cc1sc([C@@H](Br)c2c(F)cc(Br)cc2F)cc1Br 227835750 DUVZOGYHWQKTMP-GFCCVEGCSA-N 460.963 6.344 50 10 JKGE COc1cc(F)c(Br)cc1[C@@H](Br)c1cc(Cl)ccc1Br 234863210 KIODGIANMIIAFY-AWEZNQCLSA-N 487.388 6.497 50 10 JKGE Cc1cc(Cl)ccc1[C@@H](Br)c1cc(Br)ccc1Br 235826421 WXGOFSZGECFGKX-CQSZACIVSA-N 453.399 6.658 50 10 JKGE Cc1ccc([C@@H](Br)c2cc(Br)ccc2I)s1 235921162 PBLSWSVQWBWJNL-LBPRGKRZSA-N 471.983 5.908 50 10 JKGE BrCC(CBr)(C[C@H]1C[C@H]2CC[C@H]1C2)c1cccc(Br)c1 250093053 ZNLDKJHZBVNRIM-MELADBBJSA-N 465.067 6.303 50 10 JKGE CC(=NNC(=O)c1ccc(Br)s1)c1cccc(NC(=O)c2ccccc2Cl)c1 252643806 ZXBODZXJIQYTPN-UHFFFAOYSA-N 476.783 5.570 50 10 JKGE O=C(NN=c1oc2ccc3ccccc3c2cc1-c1nc2ccccc2s1)c1ccc([N+](=O)[O-])cc1 254377918 KXTWJJXILNONDF-UHFFFAOYSA-N 492.516 6.017 50 10 JKGE C=CCc1ccccc1OCC(=O)NN=Cc1c(OC(=O)c2cccc(C)c2)ccc2ccccc12 254407512 KTTLDCDDSQPWFF-UHFFFAOYSA-N 478.548 5.625 50 10 JKGE CCCCCCCCOc1ccc(-c2cc(C(=O)NN=C/C(C)=C\c3ccccc3)[nH]n2)cc1 254447424 CHWBSPHNCKCEKD-IUZDUBPTSA-N 458.606 6.635 50 10 JKGE COc1ccc(-n2c(SCC(=O)NN=C/C(C)=C\c3ccccc3)nnc2-c2ccccc2)cc1 254696973 HDVOFAWHOCZKSE-MQZDSHHCSA-N 483.597 5.241 50 10 JKGE CCOc1ccccc1OCC(=O)NN=Cc1ccc(N(c2ccccc2)c2ccccc2)cc1 254838316 JUVNFDQLHVBNTN-UHFFFAOYSA-N 465.553 6.084 50 10 JKGE COc1cccc(COc2c(Br)cc(Br)cc2CBr)n1 380184767 CZTISDXTMIMZRB-UHFFFAOYSA-N 465.967 5.089 50 10 JKGE COc1ccc([C@H]2CN(Cc3ccccc3)C[C@H]2CI)cc1Br 382691713 OIIZJLVVJXJCOW-IAGOWNOFSA-N 486.191 5.108 50 10 JKGE O=C(OCc1ccccc1)N1C[C@@H](CBr)[C@@H](c2cc(Br)cs2)C1 382724443 PFZKPKVSDQSMMJ-HIFRSBDPSA-N 459.203 5.258 50 10 JKGE CN(C[C@@H]1CCN(Cc2ccccc2)C1)c1cc(Br)ccc1CBr 383120309 FWFZXWFNEOWLIU-KRWDZBQOSA-N 452.234 5.302 50 10 JKGE Cl[C@@H](c1csc(I)c1)c1cc(Br)c2c(c1)CCCO2 689597387 RKOOMHWYACEFFQ-CYBMUJFWSA-N 469.569 5.768 50 10 JKGE Cn1ncc(Br)c1[C@H](Br)c1csc2c(Br)cccc12 693069914 GSOGNUAYKVRRKL-LLVKDONJSA-N 465.008 5.644 50 10 JKGE CCn1cc([C@H](Cl)c2cc(Br)ccc2Br)nc1Br 698353629 DXTODEOHIQUYAT-LLVKDONJSA-N 457.391 5.519 50 10 JKGE Clc1ccc([C@H](Br)c2scc(Br)c2Br)c(Cl)c1 705417416 GSXKYKWZGVIMMM-VIFPVBQESA-N 479.846 7.064 50 10 JKGE Fc1cccc(COc2c(Br)cc(Cl)cc2CBr)c1Br 708112048 ZSLNSXPIFFTSLJ-UHFFFAOYSA-N 487.388 6.478 50 10 JKGE Cc1cc(C)c([C@@H](Cl)c2cccc(F)c2I)c(C)c1Br 721695769 BVHSPUPZILBUJY-HNNXBMFYSA-N 467.547 6.446 50 10 JKGE CCCCCCCCOc1ccc(C=NNC(=O)c2ccc(N(CCC)CCC)cc2)cc1 1084347181 CBDWCPDOYCHWLH-UHFFFAOYSA-N 451.655 6.816 50 10 JKGE Cc1cc(C)cc(-n2c(C)c(Br)c(C=NNC(=O)CCSc3ccccc3)c2C)c1 1084508898 RLOCZSLJDRLFHB-UHFFFAOYSA-N 484.463 6.106 50 10 JKGE CCOc1cc([C@H]2C(C#N)=C(N)Oc3c2c(-c2ccccc2)nn3Cc2cccc(F)c2)ccc1O 1865681030 CVRONISZCHKTHP-DEOSSOPVSA-N 482.515 5.060 50 10 JKGE CCc1nn(Cc2ccccc2F)c2c1[C@@H](c1c(OC)ccc3ccccc13)C(C#N)=C(N)O2 1865688257 NYNNAXGJFXBXTE-XMMPIXPASA-N 454.505 5.013 50 10 JKGE COc1ccccc1[C@@H]1C(C#N)=C(N)Oc2c1c(-c1ccccc1)nn2Cc1ccccc1Cl 1865710318 VGHVNSJKEMDBNT-HSZRJFAPSA-N 468.944 5.479 50 10 JKGE CCc1nn(-c2cccc(Cl)c2)c2c1[C@@H](c1ccc(Br)cc1)C(C#N)=C(N)O2 1865714721 OITBAVUBGMRAIK-SFHVURJKSA-N 455.743 5.069 50 10 JKGE CCCC[C@H](NC(=O)Cc1nc(-c2ccc(C)cc2)oc1C)C(=O)Nc1ccc(SC#N)cc1 1866651005 DAIHYUGNRBZVQX-QFIPXVFZSA-N 476.602 5.388 50 10 JKGE CCCC[C@@H](NC(=O)Cc1nc(-c2ccccc2OC)oc1C)C(=O)Nc1ccc(SC#N)cc1 1866670922 UGXYPQHAMBKOSY-OAQYLSRUSA-N 492.601 5.088 50 10 JKGE CN1CCN(c2cc(Nc3ccc(SC#N)cc3)nc(Cc3ccccc3)n2)C[C@H]1c1ccccc1 1868207112 GRWUKWABHSQWMU-SANMLTNESA-N 492.652 5.877 50 10 JKGE COc1cccc(/C=C(\C#N)n2cnc3ccccc32)c1OCc1c(Cl)cccc1Cl 1872727239 IKDXOXKFEHEKFV-SFQUDFHCSA-N 450.325 6.452 50 10 JKGE CCOc1ccc(-c2csc(/C(C#N)=C(\O)CN3C(=O)COc4ccc(Cl)cc43)n2)cc1 1872747456 DNLPRBGRMVFPOU-JZJYNLBNSA-N 467.934 5.080 50 10 JKGE CCCCCCCOc1ccc(-c2csc(/C(C#N)=C(\O)COc3ccccc3OCC)n2)cc1 1872753039 FHADNKJOZJXHNB-BZZOAKBMSA-N 492.641 7.430 50 10 JKGE COc1ccc(-c2csc(/C(C#N)=C(\O)c3ccc(N4CCOCC4)c([N+](=O)[O-])c3)n2)c(C)c1C 1872754171 GIARBZGADVQUTJ-CLCOLTQESA-N 492.557 5.130 50 10 JKGE COc1ccc(OC)c(C/C(O)=C(\C#N)c2nc(-c3cc(OC)c(Cl)cc3OC)cs2)c1 1872754662 CXSUTQCNEPWVOH-MNDPQUGUSA-N 472.950 5.533 50 10 JKGE COc1ccc(-c2csc(/C(C#N)=C(\O)CNC(=O)c3ccc(Cl)cc3)n2)cc1Cl 1872757332 ALSMCFKWPRRCRR-SDXDJHTJSA-N 460.342 5.348 50 10 JKGE C[C@@]12CC[C@@](CBr)(C1)N(Cc1c(Br)cccc1Br)C2 1911502507 AMERXEGALHYPKP-CABCVRRESA-N 452.028 5.351 50 10 JKGE Clc1ccc(Br)cc1[C@H](Cl)c1sc(Br)cc1Br 1922939095 GQJSTAMEFFXFTL-JTQLQIEISA-N 479.846 7.017 50 10 JKGE FC(F)(F)c1ccc([C@H](Cl)c2c(Br)sc(Br)c2Cl)cc1 1923050552 WTHXZFHHJVCMIA-QMMMGPOBSA-N 468.947 7.274 50 10 JKGE FC1(F)CC([C@@H](Br)c2c(Br)sc(Br)c2Cl)C1 1923074362 LFBGGQHVUQDROS-RXMQYKEDSA-N 459.375 6.408 50 10 JKGE Clc1ccc([C@H](Br)Cc2ccncc2Br)c(Br)c1 1924054350 ZIZBKUYOESKTQO-LLVKDONJSA-N 454.387 5.939 50 10 JKGE C[C@H](Cl)c1nc2cc(I)ccc2n1-c1cscc1Br 1925115587 MLEZVRJJXDCLKR-ZETCQYMHSA-N 467.557 5.754 50 10 JKGE Cc1nsc(Br)c1[C@@H](Cl)c1c(Cl)sc(Br)c1Cl 1925557311 YYQBKHWQMCJZAH-RXMQYKEDSA-N 456.439 6.673 50 10 JKGE Clc1ccc([C@H](Br)c2csc(Br)c2Br)s1 1930627614 DZSQASJIPVNTCN-SSDOTTSWSA-N 451.430 6.472 50 10 JKGE Cc1cc(C(=O)N(Cc2ccccc2)[C@@H](CBr)C2CC2)c(Br)s1 1939962928 UROYSNODBDEUOV-INIZCTEOSA-N 457.231 5.635 50 10 JKGE Cc1nn(C)c(Br)c1[C@@H](Br)c1cc(Br)c(Cl)s1 2013203536 YDGGIZICGBICOJ-QMMMGPOBSA-N 463.420 5.453 50 10 JKGE Fc1cc(Cl)c(Br)cc1[C@@H](Br)c1ccccc1Br 2036573064 VAFBXLUZLRDFRR-ZDUSSCGKSA-N 457.362 6.488 50 10 JKGE C[C@@H](NC(=O)C(C#N)=Cc1cccc(C=C(C#N)C(=O)N[C@H](C)c2ccccc2)c1)c1ccccc1 2053614158 DDYBXSYIBASVAM-FGZHOGPDSA-N 474.564 5.255 50 10 JKGE FC(F)(F)c1ccc(Cn2nc(-c3ccccc3)cc2CBr)c(Br)c1 2070075223 BCLXOQAEAFBVSD-UHFFFAOYSA-N 474.118 6.275 50 10 JKGE CCc1cscc1[C@@H](Br)c1ccc(Br)c(C)c1Br 2083331832 DEFGRPCQVAEGBY-AWEZNQCLSA-N 453.037 6.628 50 10 JKGE CCCC[C@H](C)CC[C@@H](Cl)c1c(Br)sc(Br)c1Br 2086056286 HISGKTUUAFVADT-DTWKUNHWSA-N 481.519 7.922 50 10 JKGE O=C(N[C@@H]1CCCCC[C@H]1Br)c1c(Br)cccc1Br 2094088252 IZWGMQGHDNJORW-BXKDBHETSA-N 454.000 5.038 50 10 JKGE CC(C)(CBr)[C@H]1CCCN1Cc1c(Br)cccc1Br 2099643591 SSRVXROPCBLVHC-CQSZACIVSA-N 454.044 5.597 50 10 JKGE CC1(C)C[C@H](n2c(CCl)nc3cc(I)ccc32)[C@H]1OCc1ccccc1 2100142491 OHSQMYPFSYTFDK-AZUAARDMSA-N 480.777 5.936 50 10 JKGE BrCc1ccc(N2CCC3(CCN(Cc4ccccc4)C3)CC2)cc1Br 2107029129 DVFDCGOFKADQCK-UHFFFAOYSA-N 478.272 5.837 50 10 JKGE Clc1cccc(Br)c1[C@H](Br)c1cc(C2CC2)c(Br)s1 2113165412 QUYKEXQTQWXJKE-CYBMUJFWSA-N 485.466 7.288 50 10 JKGE Fc1c(C[C@@H](Br)c2cccc(Br)c2)ccc(Br)c1Cl 2113489540 PWTLIYRYUBFXSX-GFCCVEGCSA-N 471.389 6.683 50 10 JKGE FC1(F)CCC(CBr)(Cc2ccc(Br)cc2Br)CC1 2121104036 IBQRNZQTRIWDIX-UHFFFAOYSA-N 460.982 6.345 50 10 JKGE CN(C(=O)c1cc(Br)c(Br)s1)[C@H](CCBr)C(F)(F)F 2122002076 RCYQOUOBSYEIQS-SSDOTTSWSA-N 487.961 5.061 50 10 JKGE CC(C)[C@@H](C)N(Cc1ccccc1)S(=O)(=O)c1cc(F)c(Cl)c(CBr)c1 2123268837 OHFOCTQUQAHUFG-CQSZACIVSA-N 462.812 5.609 50 10 JKGE COC[C@@H]1CC[C@H](Cc2cc(Cl)ccc2I)C[C@@H]1Br 2127232139 VXZQYPAIPHHUEN-SUNKGSAMSA-N 457.577 5.313 50 10 JKGE Brc1ccc(Br)c([C@H](Br)[C@H]2C[C@@H]2C2CCCCC2)c1 2135274652 XHGULHLFXWCESL-DVOMOZLQSA-N 451.040 6.864 50 10 JKGE CC(C)(C)OC(=O)N1CCC[C@](CI)(OC[C@@H]2C[C@@H]2C2CCCCC2)C1 2135788471 JFTIEIXWEBNROT-WAOWUJCRSA-N 477.427 5.424 50 10 JKGE COc1cc(Cl)c([C@H](Br)c2cc(Cl)sc2Cl)cc1Br 2137639198 DMLVJPCNUUCISS-NSHDSACASA-N 465.421 6.964 50 10 JKGE Cc1c(Br)ccc([C@H](Cl)c2cc(F)ccc2Br)c1Br 2138863785 MUMWRSFRPTXKTQ-AWEZNQCLSA-N 471.389 6.750 50 10 JKGE CCn1cc([C@@H](Cl)c2ccc(Br)c(C)c2Br)nc1Br 2138874183 UJAIAMQRBAKQMT-LBPRGKRZSA-N 471.418 5.827 50 10 JKGE COc1c(Br)cc(C)cc1[C@@H](Cl)c1cc(Br)c(Br)s1 2139017278 RLLBUNPPQZWFSO-LLVKDONJSA-N 489.454 6.681 50 10 JKGE CCC[C@@H]1CC[C@H](Br)[C@@H](Cc2ccc(I)c(Cl)c2)C1 2142953116 NABSIZLHVZEGGB-BNOWGMLFSA-N 455.605 6.467 50 10 JKGE COCC1([C@@H](Br)c2cc(Br)c(C)cc2Br)CCCCC1 2150580728 NNLKMLBDUOUILW-HNNXBMFYSA-N 469.055 6.553 50 10 JKGE CC(C)(C)C[C@H](CBr)CNC(=O)c1cc(Br)ccc1Br 2156326276 LVLVMMKYPHXWKO-SNVBAGLBSA-N 470.043 5.389 50 10 JKGE CC(C)(F)[C@](C)(F)CC(CBr)(CBr)c1ccc(Br)cc1 2168976144 YXSMMYLHTUMMJZ-CQSZACIVSA-N 477.025 6.343 50 10 JKGE Cc1cc(S(=O)(=O)N(Cc2ccccc2)Cc2cccs2)cc(CBr)c1F 2179862893 DHKUBITVAWTEAJ-UHFFFAOYSA-N 468.413 5.482 50 10 JKGE CC(C)(C)OC(=O)NC[C@@]1(C(F)(F)F)CCCN1Cc1ccc(CBr)cc1 2182845943 XFMVJMCNNPRKTE-GOSISDBHSA-N 451.327 5.003 50 10 JKGE CCOc1cc2c3c(c1)/C(=N\NC(=O)c1cc(C)cc4c1NC(C)(C)C=C4C)C(=O)N3C(C)(C)C=C2C 2185889069 BYAFOUHLUUPHET-WGPBWIAQSA-N 498.627 5.677 50 10 JKGE COc1cc(C)c([C@H](Cl)c2cccc(Br)c2Br)cc1Br 2198736103 AHUKDQJMVBICKI-OAHLLOKOSA-N 483.425 6.619 50 10 JKGE Fc1ccc(I)cc1[C@@H](Cl)c1c(Br)cc(F)c(Cl)c1F 2201607639 GONCBDHRRBYDKH-LLVKDONJSA-N 495.891 6.453 50 10 JKGE COc1c(Cl)cc(Br)cc1[C@H](Cl)c1cc(Cl)cc(Br)c1 2202995666 BTFCZAJEXQECOH-CYBMUJFWSA-N 459.392 6.855 50 10 JKGE Brc1ccc([C@@H](Br)[C@H]2CC3(CCCCC3)CO2)c(Br)c1 2203687010 VSDJQOYBKDDOOY-HUUCEWRRSA-N 467.039 6.387 50 10 JKGE O=C(c1cc(Br)cc(Br)c1)N1CCCC[C@H]1CCCBr 2206674621 KCWFRAFXBWSTPH-AWEZNQCLSA-N 468.027 5.381 50 10 JKGE Cc1cc(Br)c([C@H](Br)c2ccc(Cl)s2)c(C)c1Br 2220151772 RPZUVWBIWFODIL-CYBMUJFWSA-N 473.455 7.028 50 10 JKGE CC[C@@H]1CC[C@@H]([C@@H](Br)c2c(Br)cc(Cl)c(Cl)c2Cl)O1 2224318445 WSSUOJJJWNBQRV-OUAIYISWSA-N 451.413 6.803 50 10 JKGE Cc1cc([C@H](Br)c2c(Br)cc(C)c(Br)c2C)oc1C 2227352137 BPKUWRARLZOJMA-HNNXBMFYSA-N 450.996 6.523 50 10 JKGE Cc1csc([C@H](Br)c2ccc3c(c2Br)CCO3)c1Br 2229734834 WSIYHEDXUOGCBB-CYBMUJFWSA-N 467.020 6.001 50 10 JKGE CCn1ncc(Br)c1[C@H](Br)c1c(Br)cc(C)c(Cl)c1C 2232510913 OGPAOYYFYNVGER-GFCCVEGCSA-N 485.445 6.183 50 10 JKGE Cc1cc(Br)c([C@H](Br)[C@@H]2OC[C@@H]3CCCC[C@H]32)cc1Br 2233190173 RZVAPGRTJDLXGO-KTQGLZRJSA-N 467.039 6.161 50 10 JKGE C[C@@H](Cl)c1nc2cc3c(cc2n1CCCN(Cc1ccccc1)Cc1ccccc1)COC3 2271823512 QSTYVYNIWRIVMR-OAQYLSRUSA-N 460.021 6.459 50 10 JKGE CCOc1ccc([C@@H](Cl)c2c(F)cccc2I)c(Br)c1 2282785307 SHVGBICMCXDTGD-OAHLLOKOSA-N 469.519 5.920 50 10 JKGE Oc1nc2ccc([C@H](Br)c3ccc(Cl)c(I)c3)cc2o1 2283587497 VDYWPALLTSYCFP-CYBMUJFWSA-N 464.484 5.276 50 10 JKGE COCCCCCCC(CBr)(CBr)c1ccccc1Br 2287543119 OOAGOOVRJSEIEY-UHFFFAOYSA-N 471.071 6.074 50 10 JKGE C[C@H](Cl)CN(CC(C)(C)C)C(=O)c1cc(I)ccc1Br 2288054435 XNEFDCYFWNUYOT-JTQLQIEISA-N 472.592 5.169 50 10 JKGE COc1ccc([C@H](Cl)Cc2cc(Br)cc(Br)c2)c(Br)c1 2295275377 UQQOLJNFFYSYFJ-OAHLLOKOSA-N 483.425 6.505 50 10 JKGE Cc1c(Br)ccc([C@H](Br)c2ccc3scnc3c2)c1Br 2296082368 ZYFPCTXYENFPGD-OAHLLOKOSA-N 476.031 6.614 50 10 JKGE Cc1ccc(NC(=O)C(C#N)=C2S[C@H](Cc3cccc(Cl)c3)C(=O)N2c2ccccc2C)cc1 2296834818 GVCLQOFOPVPMIB-XMMPIXPASA-N 488.012 6.022 50 10 JKGE COc1ccc(NC(SCc2ccccc2F)=C(C#N)S(=O)(=O)c2ccccc2)cc1Cl 2297350060 QYVGGYIIZZIALC-UHFFFAOYSA-N 488.993 6.000 50 10 JKGE Cc1ccc(NC(SCc2ccccc2F)=C(C#N)S(=O)(=O)c2ccccc2)cc1Cl 2297350119 XEXHQFZSBXPCTE-UHFFFAOYSA-N 472.994 6.299 50 10 JKGE COc1ccc(NC(=O)C(C#N)=Cc2ccc(OCc3ccc(Cl)cc3)c(Cl)c2)cc1 2297399963 BYHNELZDRQSMMJ-UHFFFAOYSA-N 453.325 6.127 50 10 JKGE N#CC(=Cc1cn(Cc2ccccc2[N+](=O)[O-])c2ccccc12)C(=O)Nc1nc2ccccc2s1 2297500412 WRXSJHACZASIEV-UHFFFAOYSA-N 479.521 5.753 50 10 JKGE N#CC(=Cc1cc(Br)ccc1OCc1ccccc1)C(=O)Nc1cc([N+](=O)[O-])ccc1F 2297551601 UCLUWKBDYFMASR-UHFFFAOYSA-N 496.292 5.621 50 10 JKGE Clc1c(Br)sc(Br)c1[C@@H](Br)[C@@H]1C[C@@H]2CC[C@H]1C2 2298421299 IJMYBYSSDMQSNN-AYHNYZOXSA-N 463.460 6.799 50 10 JKGE C[C@@H]1C[C@@H](C[C@@H](Br)c2cc(Br)ccc2OCc2ccccc2)CO1 2299534804 HVILYXJRGJEZJI-SIXWZSSISA-N 454.202 6.279 50 10 JKGE CC1(C)CC[C@@]1(CBr)Cc1ccc(I)c(Br)c1 2306228274 QUQFWTIAEMUBPC-AWEZNQCLSA-N 472.002 5.798 50 10 JKGE CCc1ccc(NC(=O)C(C#N)=Cc2ccc(OCc3ccc(Cl)cc3Cl)c(OC)c2)cc1 2313511348 FQBQEFQZQATFFH-UHFFFAOYSA-N 481.379 6.689 50 10 JKGE N#CC(=Cc1cn(Cc2ccccc2Cl)c2ccccc12)C(=O)Nc1cccc([N+](=O)[O-])c1 2313670657 NOGKLCDAFGGJGP-UHFFFAOYSA-N 456.889 5.797 50 10 JKGE CC1(C)OCCC[C@@H]1[C@H](Br)c1ccc(OCc2ccccc2)cc1Br 2314499808 HECXWFJRXMVOPY-UYAOXDASSA-N 468.229 6.669 50 10 JKGE N#CC(=Cc1ccc(-c2ccc(Cl)c(Cl)c2)o1)c1nc(-c2cccc([N+](=O)[O-])c2)cs1 2314519694 YLWKCEBJLYLBHE-UHFFFAOYSA-N 468.321 7.349 50 10 JKGE CCCCOc1ccc(C=C(C#N)C(=O)Nc2sc(-c3ccccc3)cc2C(=O)OCC)cc1 2314735376 RSXZHADSJFPKIC-UHFFFAOYSA-N 474.582 6.316 50 10 JKGE COc1ccc(C[C@H](Br)c2sccc2Br)c(Br)c1 2316851314 NCUYAJTZBMBTFC-LBPRGKRZSA-N 455.009 5.960 50 10 JKGE N#CC(=Cc1ccc(OC(=O)c2cc(C(F)(F)F)cc(C(F)(F)F)c2)cc1)c1ccccc1 2320507303 NFLVSZYFTOCUKY-UHFFFAOYSA-N 461.361 7.008 50 10 JKGE COc1ccc(C(C#N)=Cc2cccc(OC(=O)CC(c3ccccc3)c3ccccc3)c2)cc1 2320511163 MEDUNHOPARWBRR-UHFFFAOYSA-N 459.545 6.887 50 10 JKGE N#CC(=CNc1ccc(I)cc1)C(=O)Nc1cccc(Cl)c1Cl 2324380888 FPKBYSVVVWNADC-UHFFFAOYSA-N 458.086 5.056 50 10 JKGE Cc1ccc2nc(-c3ccc(NC=C(C#N)C(=O)Nc4cc(Cl)ccc4Cl)cc3)sc2c1 2324389039 YOBDKDPLTCJJKJ-UHFFFAOYSA-N 479.392 7.037 50 10 JKGE C[C@@H](Br)CN(Cc1ccc(I)c(Br)c1)C(C)(C)C 2325215099 VYTWYENMOBKQKL-SNVBAGLBSA-N 489.033 5.438 50 10 JKGE CCOc1cc(C=NNC(=O)[C@H](CC(C)C)NC(=O)OC(C)(C)C)ccc1OCc1ccc(C)cc1 2328796665 RFDCJVCDWFRPCW-QHCPKHFHSA-N 497.636 5.362 50 10 JKGE CC(C)(C)N1C(=O)c2ccc(C(O)=C(C#N)c3nc(-c4cccc([N+](=O)[O-])c4)cs3)cc2C1=O 2331232351 JTZWPOBWVBPRQY-UHFFFAOYSA-N 474.498 5.063 50 10 JKGE COc1ccc(-c2csc(C(C#N)=C(O)CCCOc3ccc4ccccc4c3)n2)cc1Cl 2331398395 PJAIODRZEAVDSS-UHFFFAOYSA-N 476.985 7.277 50 10 JKGE CCOc1ccc(OCC)c(-c2csc(C(C#N)=Cc3c(OC)ccc4ccccc34)n2)c1 2331470122 KLMDQAGBEIWJNP-UHFFFAOYSA-N 456.567 6.833 50 10 JKGE COc1cc(C)c(-c2csc(C(C#N)=Cc3cccc(OC)c3OCc3cccc(C)c3)n2)cc1C 2331485771 YCCISFOKPCDLTR-UHFFFAOYSA-N 496.632 7.396 50 10 JKGE FC(F)(C1CCCCC1)[C@H](Br)c1cc(Br)ccc1OCc1ccccc1 2336052577 BLZMFBRWYUPFGZ-HXUWFJFHSA-N 488.210 7.680 50 10 JKGE C[C@@]1([C@H](Br)c2c(Cl)cc(Br)c(F)c2Br)COCCO1 2337085603 ASCLXLOYPOFDDT-NEPJUHHUSA-N 481.381 5.246 50 10 JKGE Cc1c(Br)ccc([C@@H](Br)[C@@H]2COC3(C)CC2C3)c1Br 2337686927 VKLTWZSDEFCVOH-ZNQIKMMHSA-N 453.012 5.771 50 10 JKGE CC(C)(C)[C@@H]1C[C@H](CBr)CN(Cc2sccc2I)C1 2338763973 WKWLPHUSQANOKT-VXGBXAGGSA-N 456.231 5.232 50 10 JKGE COc1c(Br)cc(C)c([C@H](Br)C[C@H]2CCOC2)c1Br 2339654532 TTZDYPNLRZZECD-NXEZZACHSA-N 457.000 5.391 50 10 JKGE Cc1cc(Br)c([C@H](Br)[C@H]2CC[C@@H]3[C@H]2C3(F)F)c(C)c1Br 2358668248 NJVGFROJRNZQQZ-OPGJCSGMSA-N 472.993 6.556 50 10 JKGE CCc1occ(C)c1[C@H](Br)c1c(Cl)cc(Br)c(F)c1Br 2362226993 YWDBMRSQOQBPSL-LBPRGKRZSA-N 489.404 6.952 50 10 JKGE COc1ccc([C@H](Br)c2ccc(F)c(C)c2Cl)cc1I 2364114640 NLYHVSRIBFMKDH-AWEZNQCLSA-N 469.519 5.885 50 10 JKGE COc1c(Br)cc(C)c([C@@H](Br)[C@H](C)CC(C)(C)C)c1Br 2365192064 UHNNPTMSUUMMNB-MFKMUULPSA-N 471.071 7.037 50 10 JKGE COc1c(Br)cc(C)c([C@@H](Br)[C@@H]2C[C@H]2C2CCC2)c1Br 2365194651 TTXNJOIWBLJZPF-WDMOLILDSA-N 467.039 6.401 50 10 JKGE Cc1cc(Br)c(F)c(Br)c1[C@H](Br)c1cc2cscc2s1 2365220299 UWVLAWHVXGRFTQ-GFCCVEGCSA-N 499.062 7.420 50 10 JKGE C[C@@H]1C[C@H]2C[C@](COc3c(Br)cc(CBr)cc3Br)(C2)O1 2368520224 FRXCRDDVFXDMFU-OSQNNJELSA-N 469.011 5.443 50 10 JKGE CCc1cc(Br)c(OC)c([C@H](Br)c2cccc(Br)c2)c1 2381253602 JABJQVCYXPCFCS-OAHLLOKOSA-N 463.007 6.267 50 10 JKGE Cc1c(Cl)cccc1NC(=O)/C(C#N)=C\c1cn(CC(=O)NCc2ccco2)c2ccccc12 33344873 VBLFMHNDXPZZTM-PDGQHHTCSA-N 472.932 5.058 50 10 JKGE N#C/C(=C/c1ccc(OCCCOc2ccccc2)c(Br)c1)C(=O)NCc1ccco1 33603818 USYGLSIHMMQPOK-RGEXLXHISA-N 481.346 5.113 50 10 JKGE COc1cc(/C=C(\C#N)c2nc(-c3ccc(Cl)c(Cl)c3)cs2)cc(OC)c1OC(C)=O 33781742 AYYPWRLMDWELJC-GIDUJCDVSA-N 475.353 6.124 50 10 JKGE Cc1ccc(-c2ccc(/C=C(\C#N)C(=O)Nc3ccc(Cl)c(C(F)(F)F)c3)o2)c([N+](=O)[O-])c1 35519012 MTBAZDSDECMXJD-UKTHLTGXSA-N 475.810 6.381 50 10 JKGE CCOc1cc(/C=C2/C(=O)N(C)C(=O)C(C#N)=C2C)ccc1OCc1ccc(Cl)cc1Cl 38603036 FFWIJHZSFHXXTF-GIJQJNRQSA-N 471.340 5.193 50 10 JKGE Cc1cc(OCC(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@@H]3c2cccs2)cc(C)c1Cl 38656501 RAANKCWXDDJHLY-JOCHJYFZSA-N 466.946 5.221 50 10 JKGE CCCCOc1cccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4ccccc4[N+](=O)[O-])ccc32)c1 38685141 VARCUIPTZMIQQC-RUZDIDTESA-N 485.496 5.211 50 10 JKGE Cc1ccc2[nH]c(-c3ccc4ccccc4n3)c(CCCC(=O)NNC(=O)c3ccco3)c2c1 39867318 MKWAKVDPCQPADU-UHFFFAOYSA-N 452.514 5.068 50 10 JKGE C[C@H](Oc1ccccc1F)C(=O)Oc1ccc2c(c1)OC(N)=C(C#N)[C@H]2c1c(Cl)cccc1Cl 40529673 ZBHAFWWRKGULOC-XMHCIUCPSA-N 499.325 5.724 50 10 JKGE O=C(NNc1ncnc(Nc2ccc(Cl)c(Cl)c2)c1[N+](=O)[O-])c1cccc2ccccc12 40591531 AIQANRVEXQRMQN-UHFFFAOYSA-N 469.288 5.345 50 10 JKGE Cc1cccc(Nc2ncnc(NNC(=O)C(c3ccccc3)c3ccccc3)c2[N+](=O)[O-])c1C 40620702 ZXSZLLMWQHBDHC-UHFFFAOYSA-N 468.517 5.020 50 10 JKGE Cc1ccc(C(=O)N/N=C2\CCCc3oc(C(=O)Nc4ccc(Oc5ccccc5)cc4)c(C)c32)cc1 40804461 ZPMOGEAKTRTYAX-WGPBWIAQSA-N 493.563 6.411 50 10 JKGE COc1cc(/C=N/NC(=O)CSc2nc(-c3ccccc3)cs2)ccc1OCc1ccccc1 40924398 HTQWPCOBJOSLFJ-JFLMPSFJSA-N 489.622 5.640 50 10 JKGE CCOc1ccc([C@@H](O)CCC(=O)N/N=C\c2cc(C)n(-c3ccc4ccccc4c3)c2C)cc1 58893416 VKPIUZXNDRURQQ-NQWDTQFISA-N 469.585 5.610 50 10 JKGE CCOc1cc(/C=C(/C#N)C(=O)NCc2ccc(OC)cc2)ccc1OC(=O)c1ccccc1Cl 98063458 YFMWPRPDZPMTAY-ZHZULCJRSA-N 490.943 5.190 50 10 JKGE CC1=C(C#N)C(=O)N(CCc2ccccc2)C(=O)/C1=C/c1ccc(OCc2ccccc2Cl)cc1 101338283 IJQVDHQXTMKHFY-KOEQRZSOSA-N 482.967 5.754 50 10 JKGE Brc1cccc([C@H](Br)c2cc3c(cc2Br)OCCO3)c1 109865752 DQSXESFAJMDPIH-HNNXBMFYSA-N 462.963 5.467 50 10 JKGE Cc1ccc(CC(CBr)(CBr)c2cccc(Br)c2)cc1 118878715 XURCTXQACRRGNW-UHFFFAOYSA-N 461.035 6.028 50 10 JKGE Cc1cc([C@H](Br)c2cc(Br)ccc2Br)cc(C)c1F 161108988 RVHNZZLFELDKMO-AWEZNQCLSA-N 450.971 6.452 50 10 JKGE CC(C)(C)Oc1ccc(/C=N/NC(=O)c2cc(-c3ccccc3)nc(N3CCCCC3)n2)cc1 169927470 DPEPSPXOOUMRKU-TURZUDJPSA-N 457.578 5.075 50 10 JKGE CCOc1ccccc1NC(=O)/C(C#N)=C\c1cn(Cc2ccccc2)nc1-c1cccs1 208031551 YRPNJCACXSQXJH-HKWRFOASSA-N 454.555 5.604 50 10 JKGE C[C@H](NC(=O)/C(C#N)=C\c1cn(-c2ccccc2)nc1-c1ccc2c(c1)OCCO2)c1ccccc1 210034819 ODUMTMVJJBMPIK-LORYXUCWSA-N 476.536 5.095 50 10 JKGE N#C/C(=C/Nc1cc(C(F)(F)F)cc(C(F)(F)F)c1)C(=O)NC(c1ccccc1)c1ccccc1 216978142 YBKSNEYMLWTYDL-SDXDJHTJSA-N 489.419 6.449 50 10 JKGE Clc1c(Br)cccc1[C@H](Cl)c1cc(Br)ccc1Br 228450525 AALQZVUQSJLICS-LBPRGKRZSA-N 473.817 6.956 50 10 JKGE Clc1ccc([C@H](Cl)c2cc(I)ccc2Br)c(Cl)c1 236034343 FUTRMSSIGFEDNW-ZDUSSCGKSA-N 476.366 6.689 50 10 JKGE Clc1ccc(I)c([C@@H](Cl)c2csc3c(Br)cccc23)c1 236039324 YVLCCGSATYEXTF-CQSZACIVSA-N 498.010 7.250 50 10 JKGE 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 254396113 KANYZLRHIUEPFK-CSVKLWNNSA-N 472.710 7.268 50 10 JKGE O=C(CSc1nnc(SCc2cccc3ccccc23)s1)NN=Cc1cccc(F)c1 254399980 FXIGDGAMMBALRS-UHFFFAOYSA-N 468.604 5.365 50 10 JKGE COc1ccc(C(=O)Oc2cccc(C=NNC(=O)c3ccccc3OCc3ccccc3)c2)cc1 254447843 AMGWONNQQUWAHY-UHFFFAOYSA-N 480.520 5.257 50 10 JKGE O=C(CSc1nnc(-c2ccccc2)s1)NN=Cc1ccccc1OCc1ccccc1 256028492 PQYOHESGFAXJCL-UHFFFAOYSA-N 460.584 5.027 50 10 JKGE Cc1cc(Br)c([C@@H](Br)c2cc(Br)c(Cl)s2)cc1Cl 310650830 XRKFXYFFPOTPHF-LLVKDONJSA-N 493.873 7.373 50 10 JKGE CCOC(OCC)(c1ccc(Sc2ccccc2)c(CC(=O)OC)c1)[C@H](C)Br 352067545 BIPRBXPDWHNEOT-INIZCTEOSA-N 467.425 5.563 50 10 JKGE Cn1ncc([C@H](Br)c2cc(Br)sc2Br)c1Br 379217536 QXDYXVPJRJWLJG-SSDOTTSWSA-N 493.844 5.253 50 10 JKGE Cc1cc(Br)c([C@@H](Br)c2ccc(Br)s2)cc1Cl 383480844 SEYYGMPIGXGRPM-GFCCVEGCSA-N 459.428 6.719 50 10 JKGE Fc1cc(Br)c([C@H](Br)Cc2cccc(Br)c2)c(F)c1F 398731932 MTOYGLBRKWSPMS-SECBINFHSA-N 472.924 6.308 50 10 JKGE CCOC(=O)CC[C@@H](O)Cc1ccc(O[Si](C)(C)C(C)(C)C)c(O[Si](C)(C)C(C)(C)C)c1 504397689 XDHLIGLHBSYULY-HXUWFJFHSA-N 482.810 6.701 50 10 JKGE CN(C(=O)OC(C)(C)C)c1ccc([C@H]2CN(CCO[Si](C)(C)C(C)(C)C)CCCO2)cc1 616598629 OICKVXDIESSDPT-JOCHJYFZSA-N 464.723 5.843 50 10 JKGE CC[C@H](COc1c(Br)cc(CBr)cc1Br)CC(F)F 687919727 BNOZNQDTCYPCCJ-QMMMGPOBSA-N 464.970 6.167 50 10 JKGE C[C@@]12CN(Cc3ccccc3)C[C@@H]1CN(c1ccc(CBr)cc1Br)C2 702090915 XDDJDHRKKRIOHX-NQIIRXRSSA-N 464.245 5.302 50 10 JKGE Cc1ccc([C@H](Br)c2cccc(I)c2)c(C)c1Br 719582238 ONBBAGFEDOGTTB-OAHLLOKOSA-N 479.981 6.155 50 10 JKGE Brc1cc([C@H](Br)Cc2cccs2)ccc1I 721614524 PIENTTHKDSGDJF-SNVBAGLBSA-N 471.983 5.794 50 10 JKGE Clc1ncsc1COc1c(Br)cc(CBr)cc1Br 721926372 FKEWWWLECQJSAI-UHFFFAOYSA-N 476.415 5.795 50 10 JKGE Fc1cc(COc2ccc(CBr)cc2Br)ccc1Br 722007368 SYKRPBNZYRIEJA-UHFFFAOYSA-N 452.943 5.825 50 10 JKGE O=C(NN=C(Cc1ccccc1)c1ccc(-c2ccccc2)cc1)c1ccc(Br)cc1 1084038192 WXVNNLYMCSERHR-UHFFFAOYSA-N 469.382 6.493 50 10 JKGE COc1ccc2ccccc2c1C=NNC(=O)COc1ccc(C(C)C)cc1Br 1084041540 KBNCEEVHRYKNOG-UHFFFAOYSA-N 455.352 5.263 50 10 JKGE C=CCc1cc(C=NNC(=O)c2cc3cc(Br)ccc3o2)cc(OCC)c1OCC 1084188996 MDQDBDALEMTKCN-UHFFFAOYSA-N 471.351 5.485 50 10 JKGE COc1ccc(Cl)cc1-n1c(C)cc(/C=C(\C#N)C(=O)Nc2cccc(Cl)c2Cl)c1C 1084324285 JJLKUJHZWUXIOJ-MHWRWJLKSA-N 474.775 6.609 50 10 JKGE CCOc1cc(C=NNC(=O)c2cc3cc(Br)ccc3o2)c(Br)cc1OC 1084410674 XOHHPNBEIWBEKS-UHFFFAOYSA-N 496.155 5.129 50 10 JKGE CC(=NNC(=O)c1ccc(NC(=O)c2ccc(C(C)(C)C)cc2)cc1)c1ccc([N+](=O)[O-])cc1 1084465679 TVYLRVSYVPSDBI-UHFFFAOYSA-N 458.518 5.299 50 10 JKGE COc1cc(C=NNC(=O)CC[C@H](O)c2ccccc2)c(Br)cc1OCc1ccccc1 1084584563 DAKQNXGMZFQZDQ-QFIPXVFZSA-N 497.389 5.001 50 10 JKGE CCOc1ccc([C@H](O)CCC(=O)NN=Cc2cc(C)n(-c3ccc([N+](=O)[O-])c(Cl)c3)c2C)cc1 1084610858 DANRIWREUUGWLR-XMMPIXPASA-N 498.967 5.018 50 10 JKGE Cc1cc(C)cc(OC(=O)c2oc3c(c2C)C(=NNC(=O)c2ccc4ccccc4n2)CCC3)c1 1772751086 HFWSNVYMHATJEJ-UHFFFAOYSA-N 467.525 5.443 50 10 JKGE CC(C)c1cccc(OCC(=O)NN=Cc2cc(Br)ccc2OCc2ccccc2)c1 1772753448 HVSSGYCXQVFTNU-UHFFFAOYSA-N 481.390 5.681 50 10 JKGE N#CSc1ccc(NC(=O)Oc2ccc(CNC(=O)/C=C/c3ccc([N+](=O)[O-])s3)cc2)cc1 1858910130 UITJRHBOYKSAIR-PKNBQFBNSA-N 480.527 5.170 50 10 JKGE CCc1nn(-c2ccc(Br)cc2)c2c1[C@@H](c1ccc(C(C)C)cc1)C(C#N)=C(N)O2 1865686360 VLKATZPVLBKFOB-NRFANRHFSA-N 463.379 5.539 50 10 JKGE Cc1ccc(O)c([C@@H]2C(C#N)=C(N)Oc3c2c(-c2ccccc2)nn3-c2cccc(Cl)c2)c1 1865686932 FKSAPJBWTUSQPO-JOCHJYFZSA-N 454.917 5.425 50 10 JKGE CCOc1c(OC)cccc1[C@@H]1C(C#N)=C(N)Oc2c1c(C(F)(F)F)nn2-c1ccc(Cl)cc1 1865693391 NUURTMKGJUHVIB-QGZVFWFLSA-N 490.869 5.170 50 10 JKGE Cc1ccsc1[C@H]1C(C#N)=C(N)Oc2c1c(-c1ccccc1)nn2Cc1ccc(Cl)cc1 1865699510 WAABPDCSVGOAOZ-FQEVSTJZSA-N 458.974 5.840 50 10 JKGE CCc1nn(-c2cccc3ccccc23)c2c1[C@@H](c1ccc(Cl)c([N+](=O)[O-])c1)C(C#N)=C(N)O2 1865705663 BISXJVCYUSCPAX-QFIPXVFZSA-N 471.904 5.368 50 10 JKGE N#CC1=C(N)Oc2c(c(-c3ccccc3)nn2Cc2ccc(Cl)c(Cl)c2)[C@@H]1c1ccc(F)cc1 1865707734 DXWXXKBPGXFRNP-JOCHJYFZSA-N 491.353 6.262 50 10 JKGE CSCC[C@@H](NC(=O)[C@H](c1ccc(C)cc1)C(C)C)C(=O)Nc1ccc(SC#N)cc1 1866954605 CKCIKDVBNYRKMZ-YADHBBJMSA-N 455.649 5.184 50 10 JKGE Cc1ccc(-c2nc(Nc3ccc(SC#N)cc3)cc(N3CCO[C@@H](c4ccncc4)C3)n2)cc1 1868321271 XZMQKXYKXQNDGL-XMMPIXPASA-N 480.597 5.742 50 10 JKGE COc1ccc(-c2csc(/C(C#N)=C(\O)CNC(=O)c3ccc(C(C)(C)C)cc3)n2)cc1C 1872745018 SYWYAMVVDGGSJG-XDOYNYLZSA-N 461.587 5.647 50 10 JKGE CC[C@H](C)[C@@H](/C(O)=C(\C#N)c1nc(-c2ccc([N+](=O)[O-])cc2)cs1)N1C(=O)c2ccccc2C1=O 1872747284 VYFGMLCFLCHZDO-VVYGKFLPSA-N 488.525 5.222 50 10 JKGE CCCOc1ccc(-c2csc(/C(C#N)=C(\O)c3cc([N+](=O)[O-])c(C)c([N+](=O)[O-])c3)n2)cc1 1872749658 BIYYEJYNQXUBEP-FXBPSFAMSA-N 466.475 5.674 50 10 JKGE CC(C)(C)c1ccc(-c2csc(/C(C#N)=C(\O)c3ccc(NS(C)(=O)=O)cc3)n2)cc1 1872751274 ZQSPRFPXCZJKFP-VZCXRCSSSA-N 453.589 5.429 50 10 JKGE COc1c(Cl)cc(Cl)cc1-c1csc(/C(C#N)=C(\O)COc2cc(C)c(Cl)c(C)c2)n1 1872754184 GZVDGIHNJXDNHO-MNDPQUGUSA-N 495.815 7.267 50 10 JKGE CC[C@@H](C)N1C(=O)c2ccc(/C(O)=C(\C#N)c3nc(-c4ccc(OC)cc4OC)cs3)cc2C1=O 1872755338 IRPJRFQSKZFMSR-LFAMDWDUSA-N 489.553 5.172 50 10 JKGE COc1cc(Cl)c(C)cc1-c1csc(/C(C#N)=C(\O)CCCOc2ccc(C)cc2)n1 1872757204 URKIJWHDRLCNQJ-QOCHGBHMSA-N 454.979 6.741 50 10 JKGE Cc1ccc([C@@H](Br)c2cc(Br)ccc2OCc2ccccc2)s1 1899892114 JDNWMUMBBYHWSO-IBGZPJMESA-N 452.211 6.882 50 10 JKGE C[C@@H](CC(C)(C)C)[C@H](Br)c1c(Br)sc(Br)c1Cl 1923063507 ZQDDHYWRWVKOBE-XPUUQOCRSA-N 467.492 7.435 50 10 JKGE Clc1c(Br)sc(Br)c1[C@H](Br)C[C@H]1CCCOCC1 1923068923 YUVBIITXFHGCFF-JGVFFNPUSA-N 481.475 6.569 50 10 JKGE C[C@H](c1ccncc1Br)[C@H](Br)c1cccc(I)c1 1924031399 LTBIAXLBCRWHPG-OTYXRUKQSA-N 480.969 5.688 50 10 JKGE C[C@H]([C@@H](Cl)c1c(Br)sc(Br)c1Br)C(C)(F)F 1924579158 ASLDKXHSIRTVPX-AWFVSMACSA-N 461.391 6.607 50 10 JKGE Cc1cc(Br)c([C@@H](Br)[C@@]23CCC[C@@H](C2)OC3)cc1Br 1925088423 BEMUUPZJUDBKGX-VQISRLSMSA-N 453.012 5.915 50 10 JKGE Cc1sc(Br)c(C(=O)N(Cc2ccccc2)[C@@H](CBr)C2CC2)c1C 1951017490 AVXZKPKNZPHZMF-INIZCTEOSA-N 471.258 5.943 50 10 JKGE CC(C)[C@H](CBr)N(Cc1ccccc1)Cc1cccc(Br)c1Cl 1979520597 SAEBMKUAHBZXDN-SFHVURJKSA-N 459.653 6.524 50 10 JKGE Cc1cc(Br)c([C@@H](Br)c2cc(I)ccc2F)s1 2003649413 JYTODILTMBXEGQ-NSHDSACASA-N 489.973 6.047 50 10 JKGE COc1cc(F)c([C@@H](Cl)c2csc(I)c2)cc1Br 2082787271 KEOYPEAFEISBDB-LBPRGKRZSA-N 461.521 5.591 50 10 JKGE FC(F)(F)[C@H]1CCc2c(Br)cc(Br)cc2[C@H](Br)C1 2083318185 NLMRSWLVLQNYPT-QUBYGPBYSA-N 450.918 6.162 50 10 JKGE CC(C)Cc1ccc([C@H](Br)c2cc(Cl)ccc2I)s1 2087333119 QQPUIPQLTATTHP-OAHLLOKOSA-N 469.613 6.689 50 10 JKGE Fc1ccc([C@@H](Cl)c2cccc(Br)c2Br)c(F)c1Br 2092335294 LNYJBZRRCJGKAA-LBPRGKRZSA-N 475.352 6.581 50 10 JKGE Fc1cccc([C@@H](Cl)c2cc(C3CC3)c(Br)s2)c1I 2094665898 LZHKOSLCGCXJBL-GFCCVEGCSA-N 471.560 6.460 50 10 JKGE Cn1nc(C[C@@H](CBr)c2cccc(Br)c2)c(Br)c1Cl 2096681953 XQIQIUSSPVNZTJ-VIFPVBQESA-N 471.418 5.320 50 10 JKGE C[C@H](CCOCc1ccccc1)n1c(CCCl)nc2cc(Br)c(Cl)cc21 2103635601 CPUABHJTQVNZHW-CQSZACIVSA-N 456.211 6.401 50 10 JKGE Fc1cc(F)c([C@H](Cl)c2c(Br)sc(Br)c2Cl)cc1Cl 2122798105 BTYYNTVDOWGKBS-QMMMGPOBSA-N 471.375 7.186 50 10 JKGE Cn1ncc([C@H](Cl)c2c(Br)cc(F)c(Cl)c2F)c1I 2136955941 OJWSVFOFSZAFHW-QMMMGPOBSA-N 481.893 5.047 50 10 JKGE COc1c(Cl)cc(Br)cc1[C@@H](Br)c1scc(C)c1Br 2138252177 MSHAMTPNGLQYAQ-LLVKDONJSA-N 489.454 6.728 50 10 JKGE COc1c(C)cc(Br)cc1[C@H](Br)c1cc(C)c(Br)s1 2141663228 ZINYHPQTXFKIPI-LBPRGKRZSA-N 469.036 6.383 50 10 JKGE Brc1cccc(CN2CCC[C@@H]3CC[C@@H](Br)C[C@H]32)c1Br 2167009211 LEMLTERVYVQGQT-UXIGCNINSA-N 466.055 5.740 50 10 JKGE COc1ccc(C[C@@H](Br)c2cc(Cl)ccc2I)cc1F 2168404189 NLTIEJMVVOPNGQ-GFCCVEGCSA-N 469.519 5.771 50 10 JKGE Cc1cc(S(=O)(=O)N(Cc2ccccc2)CC2CCCCC2)ccc1CBr 2179785801 QWKDGPYANUJZMF-UHFFFAOYSA-N 450.442 5.661 50 10 JKGE Brc1cccc([C@@H](CI)O[C@@H]2CCOC3(CCC3)C2)c1 2197370594 VLWJPACRCVESHV-HUUCEWRRSA-N 451.142 5.044 50 10 JKGE Cc1c(Br)ccc([C@@H](Br)Cc2ccc(F)c(F)c2)c1Br 2203683262 GWOGBJLWLRGHLO-LBPRGKRZSA-N 468.961 6.477 50 10 JKGE COc1ccc([C@@H](Br)c2ccc(I)c(C)c2)c(Cl)c1Cl 2207096730 LQIOSQWRCKYWDV-ZDUSSCGKSA-N 485.974 6.399 50 10 JKGE COc1cc(F)c(Br)cc1[C@H](Cl)c1ccc(I)c(C)c1 2207102034 INLALXHFCJIKAK-OAHLLOKOSA-N 469.519 5.838 50 10 JKGE Cc1sc(Br)c([C@H](Br)c2scc(Br)c2C)c1C 2213775745 VIBWETUHJFYFRX-JTQLQIEISA-N 459.066 6.744 50 10 JKGE C[C@H](CCBr)N(Cc1ccccc1)C(=O)Cc1ccc(Br)cc1Cl 2215855142 YPBRLWDOSULQNP-CQSZACIVSA-N 473.636 5.847 50 10 JKGE CCCCCCCCCCO[C@H]1CN(C(=O)OC(C)(C)C)C[C@@H]1I 2216921045 LCXWYWFKPYHVFX-IRXDYDNUSA-N 453.405 5.567 50 10 JKGE Cc1cc(Br)c([C@H](Cl)c2ccsc2Br)c(C)c1Br 2220151125 FKWVUVKCGIMSKF-GFCCVEGCSA-N 473.455 6.981 50 10 JKGE CC(C)(C)OC(=O)NCC[C@@H]1CN(CCCCCI)c2ccccc21 2220215391 NHTVCPDQKHSTGM-MRXNPFEDSA-N 458.384 5.110 50 10 JKGE Fc1cc(F)c([C@@H](Br)c2cc(Br)sn2)c(F)c1Br 2220510563 OZAFNKMGUVHRSH-VIFPVBQESA-N 465.914 5.570 50 10 JKGE CC(C)(C)OC(=O)N1CCC(CBr)(OCc2ccc(Cl)cc2Cl)CC1 2223380008 XXAIGHLBFYOPSO-UHFFFAOYSA-N 453.204 5.675 50 10 JKGE C[C@@H]1OC2(C)CC1([C@H](Br)c1c(Br)cc(Cl)c(Cl)c1Cl)C2 2232525233 BUISWRORWNGHQY-JMFIZIKISA-N 463.424 6.803 50 10 JKGE Cc1cc(Br)c([C@H](Br)[C@@H]2CCCCS2(=O)=O)c(C)c1Br 2235604247 NAYCTXMVWCCYOO-SMDDNHRTSA-N 489.067 5.232 50 10 JKGE CCOc1ccc(Br)cc1[C@H](Br)c1sc(C)c(C)c1Br 2237628987 CKDXQLQYBZBFPM-AWEZNQCLSA-N 483.063 6.773 50 10 JKGE Cc1sc([C@H](Br)c2c(F)cccc2I)cc1Br 2247959980 XANPOEFGVJVWHR-LBPRGKRZSA-N 489.973 6.047 50 10 JKGE COc1ccc([C@@H](Br)c2sccc2Br)cc1I 2248891492 ZLISNRMVGALGFT-LLVKDONJSA-N 487.982 5.608 50 10 JKGE Cc1sc([C@@H](Br)c2cccc(Br)c2Cl)c(Br)c1C 2253473090 KNMRRHSDLCOYQC-NSHDSACASA-N 473.455 7.028 50 10 JKGE COc1ccc([C@@H](Br)c2cc(Br)cs2)c(Br)c1Cl 2256331014 HELLXDCYEZZTLY-SNVBAGLBSA-N 475.427 6.419 50 10 JKGE COc1ccc([C@H](Br)c2ccc(Br)c(F)c2)cc1I 2269553597 CVJAFBLXEIXOPY-CQSZACIVSA-N 499.943 5.686 50 10 JKGE FC[C@@]12CC[C@@]([C@@H](Cl)c3c(Br)sc(Br)c3Cl)(CO1)C2 2274684085 JNJUAOFRNPOQSF-UWJYBYFXSA-N 452.998 6.115 50 10 JKGE Cc1ccc([C@H](Br)Cc2ccc(Cl)c(F)c2)cc1I 2277902903 LSLOONBXALAUEV-GFCCVEGCSA-N 453.520 6.071 50 10 JKGE CCc1occ(C)c1[C@H](Br)Cc1cc(Br)cc(Br)c1 2277963775 YHUZIGKKKCTQNZ-CYBMUJFWSA-N 450.996 6.354 50 10 JKGE COc1ccc([C@@H](Br)c2csc(I)c2)c(OC)c1C 2277987485 VIQKUAIPLMVVPW-ZDUSSCGKSA-N 453.139 5.163 50 10 JKGE Fc1ccccc1C[C@@H](Br)c1c(F)cc(Br)c(F)c1Br 2288493359 RKRQKYZYVRDBBN-MRVPVSSYSA-N 472.924 6.308 50 10 JKGE FC(F)c1cccc([C@@H](Br)Cc2cc(Br)cc(Br)c2)c1 2295332405 WLHTWJMCNPOTPQ-AWEZNQCLSA-N 468.961 6.828 50 10 JKGE Cc1cc(=O)oc2cc(NC=C(C#N)c3nc(-c4cc5ccccc5oc4=O)cs3)ccc12 2295948514 AMENXAJONHEFJR-UHFFFAOYSA-N 453.479 5.308 50 10 JKGE Cc1ccc(NC(SCc2ccccc2F)=C(C#N)S(=O)(=O)c2ccccc2)c(C)c1 2297349953 GGLHCSKVZQVUNK-UHFFFAOYSA-N 452.576 5.954 50 10 JKGE N#CC(=Cc1ccc(-c2ccc([N+](=O)[O-])cc2Cl)o1)C(=O)Nc1ccc([N+](=O)[O-])cc1Cl 2297551524 PBYGESLVAHQIIS-UHFFFAOYSA-N 473.228 5.615 50 10 JKGE Brc1ccc(OCc2ccccc2)c([C@@H](Br)CC[C@@H]2CCOC2)c1 2299501882 RPCQAINPBJPLPJ-APWZRJJASA-N 454.202 6.281 50 10 JKGE Clc1c(Br)sc(Br)c1[C@@H](Br)[C@H]1CC[C@@H]2C[C@H]1CO2 2312748347 PMLSUYQBQGNNEY-XQXXSGGOSA-N 479.459 6.178 50 10 JKGE CCOc1cc(C=C(C#N)C(=O)Nc2cc(C)ccc2C)ccc1OCc1ccccc1C#N 2313511199 TYMCAQDAQZNABS-UHFFFAOYSA-N 451.526 5.699 50 10 JKGE O=C(NN=C1C(=O)N(CC=Cc2ccccc2)c2ccccc21)c1ccc(Cl)cc1Cl 2313649565 LKPUEJTWWHRTRL-UHFFFAOYSA-N 450.325 5.188 50 10 JKGE FC1CC2(C1)CC([C@H](Br)c1cc(Br)ccc1OCc1ccccc1)C2 2314442098 DIVBPXZSZHCIGW-IUXFZGPCSA-N 468.204 6.992 50 10 JKGE Brc1ccc(OCc2ccccc2)c([C@H](Br)CC2CCCCCC2)c1 2314449291 OXNLRLYDKOJNDX-OAQYLSRUSA-N 466.257 7.825 50 10 JKGE N#CC(=Cc1ccc(-c2cccc(Cl)c2Cl)o1)c1nc(-c2ccc(Cl)cc2)cs1 2314482315 HHUQZZNJJFDUEO-UHFFFAOYSA-N 457.769 8.094 50 10 JKGE CCc1ccc(C[C@@H]2SC(=C(C#N)C(=O)NCc3ccco3)N(c3ccc(CC)cc3)C2=O)cc1 2314593711 RSCLSZGMMRKKMV-VWLOTQADSA-N 485.609 5.147 50 10 JKGE COc1ccc(-c2nn(-c3ccccc3)cc2C=C2C(=O)N(C(C)C)C(=O)C(C#N)=C2C)cc1Cl 2314611493 VNBFXKBDTDKTOE-UHFFFAOYSA-N 486.959 5.202 50 10 JKGE CCCCCCOc1ccc(C=C(C#N)C(=O)Nc2sc3c(c2C#N)CC[C@@H](C)C3)cc1OC 2314730785 RJHXFAQLRYMXCZ-GOSISDBHSA-N 477.630 6.258 50 10 JKGE CC1(C)C[C@H]1C[C@H](Br)c1c(Cl)cc(Br)c(F)c1Br 2315440208 PQTFJHQQBZJKOI-RQJHMYQMSA-N 463.410 6.876 50 10 JKGE Fc1c(Br)cc(Cl)c([C@H](Cl)c2csc(Cl)c2)c1Br 2315443822 NUOUWPUNZLZJHD-SNVBAGLBSA-N 453.385 7.047 50 10 JKGE CO[C@@H]1CC[C@@H]1[C@H](Br)c1c(Cl)cc(Br)c(F)c1Br 2315445680 PQHPBMWGBZRIOU-LWELHUNNSA-N 465.382 5.865 50 10 JKGE Clc1cc(I)c([C@H](Br)[C@@H]2Cc3ccccc3O2)s1 2316598965 KIOFWWKTIDXOJK-CMPLNLGQSA-N 455.542 5.446 50 10 JKGE Cc1cc([C@H](Br)c2c(C)cc(Br)c(F)c2Br)cs1 2317400394 TXCNPBXERIEEMY-NSHDSACASA-N 457.000 6.513 50 10 JKGE CCOC(=O)c1c(-c2ccc(Br)cc2)csc1NC(=O)C(C#N)=Cc1ccc(F)cc1 2329641060 HXUGWVRNDIBPHR-UHFFFAOYSA-N 499.361 6.039 50 10 JKGE CC(=Cc1cccc(Cl)c1)C(=O)N[C@H](Cc1ccccc1)C(=O)Nc1ccc(SC#N)cc1 2330532943 TXGUSSFIUZMBCD-XMMPIXPASA-N 476.001 5.683 50 10 JKGE CCCOc1ccc(-c2csc(C(C#N)=C(O)c3ccc(C(C)(C)C)cc3)n2)cc1OCCC 2331293659 MLWSDQWGWSZRTM-UHFFFAOYSA-N 476.642 7.635 50 10 JKGE CCCOc1ccc(-c2csc(C(C#N)=C(O)c3cc(OCC)c(OCC)c(OCC)c3)n2)cc1 2331316036 OKQVOKGDSZRDSN-UHFFFAOYSA-N 494.613 6.745 50 10 JKGE CC(C)(C)N1C(=O)c2ccc(C(O)=C(C#N)c3nc(-c4cccc5ccccc45)cs3)cc2C1=O 2331337821 DNYAUTFTHLJHRO-UHFFFAOYSA-N 479.561 6.308 50 10 JKGE COc1ccc(-c2csc(C(C#N)=C(O)[C@@H](C)Oc3ccccc3C(C)C)n2)cc1Cl 2331398322 HMDGHAQUNIEARA-OAHLLOKOSA-N 454.979 6.856 50 10 JKGE CCCOc1ccc(C=C(C#N)c2nc(-c3cc(C(C)C)c(OC)cc3C)cs2)cc1OCC 2331463499 NLDLHOQXUKFYGJ-UHFFFAOYSA-N 476.642 7.502 50 10 JKGE Brc1cc(OCc2ccccc2)ccc1[C@H](Br)[C@H]1C[C@H]2CCC[C@H](C2)C1 2336044493 OONZAMBAJDHYFR-ISJRUSPKSA-N 478.268 7.681 50 10 JKGE CO[C@@H]1CC[C@H]([C@H](Br)c2c(Cl)cc(Br)c(F)c2Br)C1 2337084129 HXCCTYAQAIYMNY-CVJICSNFSA-N 479.409 6.255 50 10 JKGE Cc1cc(Br)c([C@H](Br)[C@@H]2CO[C@]3(C)C[C@H]2C3)cc1Br 2337698753 XESUWZWHMXSXKD-OLJUCXRQSA-N 453.012 5.771 50 10 JKGE Cc1ccc([C@H](Br)c2c(C)cc(Br)c(F)c2Br)cc1 2339645529 ITDBBNALSBTFDE-ZDUSSCGKSA-N 450.971 6.452 50 10 JKGE Cc1cc(Br)c(F)c(Br)c1[C@H](Br)[C@@H]1CCC2(CC2)C1 2339681662 KNKQOHBQJMBCRF-BXKDBHETSA-N 455.003 6.675 50 10 JKGE CCC[C@@H]1CN(Cc2ccc(Cl)cc2I)C[C@H]1CBr 2341012634 QMNFVDPAMIRDFH-DGCLKSJQSA-N 456.593 5.188 50 10 JKGE Fc1cc(Cl)c(Br)c(Cl)c1[C@H](Br)[C@@H]1CC[C@@H]2[C@H]1C2(F)F 2360419316 YHUYEBGYOMGRDY-PENBWZAVSA-N 452.923 6.622 50 10 JKGE Fc1ccc(C[C@@H](Br)c2c(Cl)cc(Br)c(F)c2Br)cc1 2362256212 UHPWFIHOQBYOLY-SECBINFHSA-N 489.379 6.822 50 10 JKGE CCc1cccc(CBr)c1OCc1ccc(Cl)c(I)c1 2362428484 VHOYBNNIHZLGPN-UHFFFAOYSA-N 465.556 5.981 50 10 JKGE Cc1cc(Br)c([C@@H](Cl)c2c(Br)c(Br)nn2C)c(C)c1F 2364233738 DSIXSNLWKMOTJP-SNVBAGLBSA-N 489.408 5.792 50 10 JKGE COc1ccc(CCC(CBr)(CBr)C2CCC2)c(Br)c1 2364932544 MBMNFRKCJWVECD-UHFFFAOYSA-N 469.055 5.967 50 10 JKGE COc1c(Br)cc(C)c([C@H](Br)[C@@]2(C)CCCCO2)c1Br 2365194692 UGPAPGRGKPHTSR-LSDHHAIUSA-N 471.027 5.924 50 10 JKGE COc1c(Br)cc(C)c([C@H](Br)[C@H]2CC(C)(C)CO2)c1Br 2365215505 KZUJNTCFRGHLLV-ZYHUDNBSSA-N 471.027 5.780 50 10 JKGE CCC(CC)(CC)[C@H](Br)c1c(C)cc(Br)c(OC)c1Br 2365215881 OJZAFXXXQORJEL-OAHLLOKOSA-N 471.071 7.181 50 10 JKGE COc1c(Br)cc(C)c([C@@H](Br)c2ccc(F)cc2)c1Br 2365233131 STVLQQLWQGQVKB-ZDUSSCGKSA-N 466.970 6.152 50 10 JKGE COc1c(C)cc([C@@H](Br)c2ccc(Cl)cc2I)cc1C 2365599397 VUGJDCCMAPKWDJ-OAHLLOKOSA-N 465.556 6.054 50 10 JKGE Clc1ccc(CO[C@H](CBr)c2ccccc2Cl)c(I)c1 2365651525 ARTHICGWMQTBIF-OAHLLOKOSA-N 485.974 6.251 50 10 JKGE CC(C)(CI)CN1CCC(CCC2CCN(C(=O)OC(C)(C)C)CC2)CC1 2379711708 VHKSADINXNSUIO-UHFFFAOYSA-N 492.486 5.587 50 10 JKGE N#C/C(=C/c1cn(Cc2cccc3ccccc23)c2ccccc12)C(=O)Nc1ccccc1C(=O)O 2775484 XDFRZTOFMWVIAO-JWGURIENSA-N 471.516 6.087 50 10 JKGE CC[C@@H](C)c1ccc(OCC(=O)NNC(=O)c2cc(Br)ccc2OCCC(C)C)cc1 14650782 RBEVLYIMSMJPSN-QGZVFWFLSA-N 491.426 5.228 50 10 JKGE CCOc1cc(/C=N/NC(=O)CSc2nc3ccccc3[nH]2)ccc1OCc1ccccc1Cl 32520551 HQQBVZYLXMGLGT-MZJWZYIUSA-N 495.004 5.436 50 10 JKGE COc1cccc(/C=C(/C#N)c2nc3cc(C)ccc3[nH]2)c1OCc1ccc(Cl)cc1Cl 33399263 PYASMJZPPVZLFL-WQRHYEAKSA-N 464.352 6.830 50 10 JKGE CCCCOc1ccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4ccccc4)ccc32)cc1OC 38660045 NGIOEHOGXOTIBB-SANMLTNESA-N 470.525 5.311 50 10 JKGE Cc1ccc(NC(=O)c2oc3c(c2C)/C(=N/NC(=O)c2cccc4ccccc24)CCC3)c(C)c1 40813533 JPOXPHYKODSWKD-QFMPWRQOSA-N 465.553 6.081 50 10 JKGE CCOc1ccc([C@@H](O)CCC(=O)N/N=C\c2ccccc2OCc2cccc3ccccc23)cc1 58895525 MWIMFEDZBCQHSR-LEWMOKLLSA-N 482.580 5.781 50 10 JKGE C=CCNC(=O)/C(C#N)=C1\S[C@@H](Cc2ccc(C(C)C)cc2)C(=O)N1c1ccc(C)c(C)c1 101241900 GTUZDTBZCNGFOF-FYAMCCBRSA-N 459.615 5.155 50 10 JKGE CCc1nn(CC)c(CC(CBr)(CBr)C(C)C)c1Br 118670367 OPVOQNRSAAHDEG-UHFFFAOYSA-N 459.064 5.203 50 10 JKGE Cc1cc(Br)c([C@H](Cl)c2cccc(Br)c2C)cc1Br 128616475 MQRPTBFYVYCORM-OAHLLOKOSA-N 467.426 6.919 50 10 JKGE Cc1cc(Br)c([C@@H](Br)c2c(C)oc(C)c2C)cc1Br 128755612 DYECBCUMMBSKEP-OAHLLOKOSA-N 450.996 6.523 50 10 JKGE CC1(C)C(=O)Nc2ccc([C@@H](Br)c3csc(I)c3)cc21 157613211 XMHJSBSUTZGXAK-CYBMUJFWSA-N 462.150 5.067 50 10 JKGE CCOc1cccc(-c2nn(-c3ccccc3)cc2/C=C(/C#N)C(=O)N[C@@H](C)c2ccccc2)c1 210033736 KZZCXJSFNCOOAD-HLJDWQABSA-N 462.553 5.722 50 10 JKGE N#C/C(=C\c1cccc(/C=C(/C#N)c2ccc(C(F)(F)F)cn2)c1)c1ccc(C(F)(F)F)cn1 210381342 SLSPGOOOMKULKW-BUOZRGFLSA-N 470.376 6.643 50 10 JKGE Fc1ccc(Br)c(F)c1C[C@@H](CBr)c1ccccc1Br 230376282 LWXBLSKEFMUAKV-VIFPVBQESA-N 468.961 6.211 50 10 JKGE CC[C@H](C)c1ccc([C@@H](Br)c2cc(Br)cc(Br)c2)cc1 234019986 OEUXTHKXVMTQKM-APPDUMDISA-N 461.035 7.209 50 10 JKGE COc1ccc([C@@H](Br)c2cc(Br)sc2Br)cc1Cl 234972433 QLSVPAZHCLLIAZ-LLVKDONJSA-N 475.427 6.419 50 10 JKGE COc1cc(Cl)c([C@@H](Cl)c2cc(Br)sc2Br)cc1Cl 235020874 STXSDOWYYVLIQX-LLVKDONJSA-N 465.421 6.917 50 10 JKGE Fc1ccc([C@H](Br)c2cc(Br)sc2Br)c2ccccc12 236244992 MJILCZWTZGMZNU-AWEZNQCLSA-N 479.006 7.050 50 10 JKGE C[C@@]1(CI)CC[C@H](c2cc(Br)c(Br)s2)O1 306544530 YMDQUBFUUMCSJC-XCBNKYQSSA-N 465.976 5.318 50 10 JKGE Clc1sc([C@@H](Br)c2cccc(OCc3ccccc3)c2)cc1Br 309981871 VISCOJARVCBYRP-KRWDZBQOSA-N 472.629 7.227 50 10 JKGE C[C@@H](Cl)c1nc2cc(Br)c(F)cc2n1[C@H]1CCCN(Cc2ccccc2)C1 379555125 GMJYXZOIDIJYRR-ZBFHGGJFSA-N 450.783 6.075 50 10 JKGE FC(F)(F)c1nc(-c2cc(Br)ccc2I)oc1CCl 401103964 PMANIYHRUAQPPR-UHFFFAOYSA-N 466.422 5.466 50 10 JKGE CC1(C)CC[C@@]23C=C[C@@]4(OO2)[C@H](CC[C@]2(C)[C@@]5(C)C[C@@H](O)[C@H](O)C(C)(C)[C@]5(C)CC[C@@]42C)[C@]3(C)C1 616582518 SXSGPAZBVUYSJF-JCSVVNBRSA-N 486.737 6.593 50 10 JKGE CC(C)(C)[Si](C)(C)OCCc1ccc([C@@H]2CN(Cc3ccccc3)c3ccccc3N2)cc1 616687174 ZFJJFRWXAUCWKY-MHZLTWQESA-N 458.722 7.424 50 10 JKGE CO[C@@H]1CCC[C@H](C(CBr)(CBr)c2ccccc2Br)C1 686323291 MJJHNLWBMWVKKK-QWHCGFSZSA-N 469.055 5.682 50 10 JKGE Cn1c(Cl)cnc1COc1c(Br)cc(Br)cc1CBr 700197919 RYPPLTLJZFEBNB-UHFFFAOYSA-N 473.390 5.072 50 10 JKGE Fc1cc(F)c([C@H](Br)c2scc(Br)c2Br)c(F)c1 707820450 UMONQQVSYPORFZ-JTQLQIEISA-N 464.926 6.175 50 10 JKGE COCc1cc(Br)c([C@@H](Cl)c2cccc(C)c2I)s1 710875027 MUINRYZHZMNYBL-LBPRGKRZSA-N 471.585 5.898 50 10 JKGE Cc1cccc(NC(=O)/C(C#N)=C\c2cc(Br)ccc2OCc2cccc(Cl)c2)c1C 1083862086 HAKNPJKYUJVXQZ-NDENLUEZSA-N 495.804 6.844 50 10 JKGE CCc1ccc(NC(=O)/C(C#N)=C\c2cc(Br)ccc2OCc2cccc(F)c2)cc1 1083956028 DMTKYFDLWFIFAW-MOSHPQCFSA-N 479.349 6.275 50 10 JKGE CCOc1cc(Br)c(/C=C(/C#N)C(=O)Nc2cccc(Cl)c2C)cc1OCC 1083971862 DNBYDJUMOCSACP-DHDCSXOGSA-N 463.759 5.754 50 10 JKGE CCOc1cc(C=NNC(=O)c2ccc(-n3c(C)ccc3-c3ccccc3)cc2)cc(Cl)c1OC 1083978066 PQZIEXOINDAOSF-UHFFFAOYSA-N 487.987 6.277 50 10 JKGE Cc1c(Br)c(/C=C(\C#N)c2cccc(Cl)c2)c(C)n1-c1ccc(Br)cc1 1084359539 VQFVXTJWLOGUQN-LFIBNONCSA-N 490.626 7.337 50 10 JKGE CCN(CC)c1ccc(/C=C(\C#N)C(=O)Nc2cccc(Cl)c2Cl)cc1Br 1084479122 MDDUOVFTKZZUEZ-GXDHUFHOSA-N 467.194 6.148 50 10 JKGE O=C(NN=Cc1ccc(OCc2ccccc2)c(I)c1)c1cc2ccccc2o1 1084609938 CBRVUARPNUXMLZ-UHFFFAOYSA-N 496.304 5.380 50 10 JKGE Cc1ccc(NC(=O)c2oc3c(c2C)C(=NNC(=O)c2ccc(F)cc2)CCC3)cc1Cl 1772745117 RFUUXRCYDIWAGU-UHFFFAOYSA-N 453.901 5.412 50 10 JKGE Cc1cc(Cl)ccc1NC(=O)c1oc2c(c1C)C(=NNC(=O)c1cccc([N+](=O)[O-])c1)CCC2 1772745838 JQUGDTVVFDQRSE-UHFFFAOYSA-N 480.908 5.181 50 10 JKGE Cc1occc1C(=O)NN=C1CCCc2oc(C(=O)Nc3ccc(Cl)cc3Cl)c(C)c21 1772749297 KSLHPRHCLBLMRF-UHFFFAOYSA-N 460.317 5.519 50 10 JKGE COc1cccc(/C=C/C(=O)NCc2ccc(OC(=O)Nc3ccc(SC#N)cc3)cc2)c1 1858904987 FLNVMFLHUBWJRF-VGOFMYFVSA-N 459.527 5.209 50 10 JKGE CCCc1nn(Cc2ccccc2Cl)c2c1[C@@H](c1c(F)cccc1Cl)C(C#N)=C(N)O2 1865682503 QEVQGGLVCMNRQW-LJQANCHMSA-N 457.336 5.548 50 10 JKGE Cc1ccc(C)c(Cn2nc(-c3ccccc3)c3c2OC(N)=C(C#N)[C@@H]3c2cccc(Cl)c2)c1 1865684533 ZZLBPEOGHYWVGD-DEOSSOPVSA-N 466.972 6.087 50 10 JKGE CCCCCOc1ccc([C@@H]2C(C#N)=C(N)Oc3c2c(-c2ccccc2)nn3Cc2ccccc2)cc1 1865690352 PDNWKNQLDSMEJA-HHHXNRCGSA-N 490.607 6.386 50 10 JKGE CCCCCOc1ccc([C@@H]2C(C#N)=C(N)Oc3c2c(-c2ccccc2)nn3CC(C)C)cc1 1865690695 YXGGSCRYRYRUFT-XMMPIXPASA-N 456.590 5.993 50 10 JKGE CCOc1c(OC)cccc1[C@@H]1C(C#N)=C(N)Oc2c1c(-c1ccc(OC)cc1)nn2-c1ccccc1 1865694017 TUNPNHNRQOPKCY-XMMPIXPASA-N 494.551 5.173 50 10 JKGE CCCOc1ccccc1[C@@H]1C(C#N)=C(N)Oc2c1c(-c1ccccc1)nn2Cc1ccccc1 1865703058 LYDGKHXMLPMKSU-RUZDIDTESA-N 462.553 5.605 50 10 JKGE CCCc1nn(Cc2ccc(Cl)c(Cl)c2)c2c1[C@@H](c1ccccc1OC(C)C)C(C#N)=C(N)O2 1865705489 WZAQBEBVBQPOEE-QHCPKHFHSA-N 497.426 6.196 50 10 JKGE COc1ccc([C@H]2C(C#N)=C(N)Oc3c2c(-c2ccccc2)nn3Cc2ccccc2Cl)c(OC)c1 1865707924 JMOCMPRWYLJXAT-DEOSSOPVSA-N 498.970 5.487 50 10 JKGE Cc1nc(-c2ccc(Cl)c(Cl)c2)ccc1C(=O)NNC(=O)c1c(F)cccc1Cl 1865758993 CWSXOFWTLLMAAL-UHFFFAOYSA-N 452.700 5.231 50 10 JKGE N#C/C(=C\c1ccc(Cl)cc1)C(=O)Nc1ccc(Br)cc1I 1866128238 FCIOKRQBIFDWIR-YRNVUSSQSA-N 487.522 5.253 50 10 JKGE N#CSc1ccc(Nc2cc(N3CCC(c4ncncn4)CC3)nc(-c3ccccc3)n2)cc1 1868365549 SGTIUMKLOPXQSX-UHFFFAOYSA-N 466.574 5.029 50 10 JKGE N#CSc1ccc(Nc2cc(N3CCO[C@@H](c4ccncc4)C3)nc(-c3ccc(F)cc3)n2)cc1 1868456513 QOYUZSOSEHEDHM-HSZRJFAPSA-N 484.560 5.572 50 10 JKGE C[C@H](/C(O)=C(\C#N)c1nc(-c2ccc(Cl)cc2Cl)cs1)N1C(=O)c2ccccc2C1=O 1872745135 WZIJKATYNYOYBA-HBTZSIKTSA-N 470.337 5.594 50 10 JKGE CCOc1ccccc1OC/C(O)=C(\C#N)c1nc(-c2ccc(Oc3ccccc3)cc2)cs1 1872753608 GCOZYKSWBHMTNK-GYHWCHFESA-N 470.550 6.873 50 10 JKGE CC(C)[C@H](/C(O)=C(\C#N)c1nc(-c2cc(Cl)ccc2Cl)cs1)N1C(=O)c2ccccc2C1=O 1872758056 JEFGONPNROHJSW-HTNUNKGTSA-N 498.391 6.230 50 10 JKGE CC(C)(C)c1csc(/C(C#N)=C/c2ccc(OCc3ccccc3)c(OCc3ccccc3)c2)n1 1872790622 UPVNAVJACPIOMU-PCLIKHOPSA-N 480.633 7.663 50 10 JKGE C=CCOc1ccccc1OC/C(O)=C(\C#N)c1nc(-c2cc(OC)ccc2OC)cs1 1873921262 ZJGYKGQAFGBFQJ-ZZEZOPTASA-N 450.516 5.264 50 10 JKGE CC(C)C[C@@H](/C(O)=C(\C#N)c1nc(-c2cccc([N+](=O)[O-])c2)cs1)N1C(=O)c2ccccc2C1=O 1873940655 BLBOPPVIHGVUPZ-NNWMPZTLSA-N 488.525 5.222 50 10 JKGE O=S(=O)(c1ccc(Cl)c(CBr)c1Cl)N(Cc1ccccc1)Cc1ccccc1 1885379009 VJHGMZFJHNYODD-UHFFFAOYSA-N 499.257 6.279 50 10 JKGE CC(C)(CCl)N(Cc1ccccc1)S(=O)(=O)c1c(Cl)cc(Br)cc1Cl 1915756386 JFJLRQIBBAVTGP-UHFFFAOYSA-N 485.658 5.964 50 10 JKGE Cl[C@@H](c1sncc1Br)c1sc(Br)cc1Br 1922882456 MIXRGFTXAJGMBZ-ZCFIWIBFSA-N 452.418 5.820 50 10 JKGE Cc1c(Br)sc([C@H](Br)c2c(F)cc(F)cc2F)c1Br 1922885704 VPVZSIIEKLBFBO-SNVBAGLBSA-N 478.953 6.483 50 10 JKGE CCCCCCCCC[C@@H](Cl)c1c(Br)sc(Br)c1Cl 1923066342 OONDVBGTRRGHPF-SNVBAGLBSA-N 451.095 8.347 50 10 JKGE C[C@@]1([C@H](Br)c2c(Br)sc(Br)c2Cl)CC1(F)F 1923074481 MXNPAFBJVVNYBB-XRGYYRRGSA-N 459.375 6.408 50 10 JKGE CC1(C)C[C@H]1[C@H](Br)c1c(Br)sc(Br)c1Br 1924576776 SCMIMWMGTILHJJ-NJGYIYPDSA-N 481.873 6.518 50 10 JKGE CC1(C)C[C@@H]1C[C@H](Cl)c1c(Br)sc(Br)c1Br 1924615794 GKMPQYLTULHYND-WDSKDSINSA-N 451.449 6.752 50 10 JKGE Clc1ccc([C@H](Br)c2csc(Br)c2Br)c(Cl)c1 1945191132 YZSZUALMBLZVJK-VIFPVBQESA-N 479.846 7.064 50 10 JKGE CN(Cc1ccccc1)[C@H]1CCN(c2c(CBr)ccc(Br)c2Cl)C1 1948736819 HCTVGYPJJUEMHU-INIZCTEOSA-N 472.652 5.708 50 10 JKGE CC[C@@H](C)N(Cc1ccccc1)S(=O)(=O)c1cc(CBr)ccc1Br 2009657986 IISBEXUTZBBPSH-CQSZACIVSA-N 475.246 5.333 50 10 JKGE CCOc1ccc([C@H](Br)c2cc(Br)c(Br)s2)s1 2026366597 ZGBUVMYIZBUGAM-JTQLQIEISA-N 461.038 6.218 50 10 JKGE CCCc1ccc([C@H](Br)c2cc(Br)ccc2Br)s1 2027129630 BSVYCRKSTDVAKW-CQSZACIVSA-N 453.037 6.710 50 10 JKGE CCc1cc(Br)c([C@H](Br)c2c(Br)cnn2CC)s1 2033246416 MLEPDKSIWAOLPG-SNVBAGLBSA-N 457.029 5.536 50 10 JKGE Cc1nn(-c2ccccc2)c2c1P(c1ccccc1)C(=C1N(C)c3ccccc3C1(C)C)C=N2 2040464757 ANPCQVTVVIJONT-UHFFFAOYSA-N 462.537 5.969 50 10 JKGE COc1cc(F)c(Br)cc1[C@@H](Br)c1cc(Br)cs1 2052439045 YBJXKJWXEDUVLD-GFCCVEGCSA-N 458.972 5.905 50 10 JKGE O=C(N[C@@H](CBr)c1ccsc1)c1cc(Br)sc1Br 2055483074 FPRVQPSYHIBCLZ-QMMMGPOBSA-N 474.037 5.201 50 10 JKGE Fc1cc(Br)c([C@H](Br)c2ccoc2Br)c(F)c1Cl 2081842567 CIYGSLZUNNYSTG-MRVPVSSYSA-N 465.313 6.221 50 10 JKGE Fc1cc(Cl)c(Br)cc1[C@@H](Cl)c1cc(Br)ccc1Br 2097835045 POTFIODTQOUADM-ZDUSSCGKSA-N 491.807 7.095 50 10 JKGE Brc1ccc(CC[C@@H](Br)CC2CCCCC2)c(Br)c1 2099483926 UWMZODBUBHNBHZ-CQSZACIVSA-N 453.056 6.878 50 10 JKGE Fc1cccc(OCc2c(Br)cccc2Br)c1CBr 2104511477 XYPGFILQTJNAAW-UHFFFAOYSA-N 452.943 5.825 50 10 JKGE Cn1cc([C@@H](Br)c2cc(Cl)c(Cl)c(Cl)c2Cl)c(Br)n1 2116551096 CHZDSKIRUIADGF-ZETCQYMHSA-N 467.803 6.281 50 10 JKGE CCC[C@@H](Br)c1cn(-c2c(Br)cc(Cl)cc2Br)nn1 2121073070 LUYICALNUAWKLB-MRVPVSSYSA-N 472.406 5.682 50 10 JKGE Brc1ccc(CN2CC3(CCC(Br)CC3)C2)c(Br)c1 2124674736 KXKXSKSTWBGFKX-UHFFFAOYSA-N 452.028 5.351 50 10 JKGE C[C@@H]1CC(COc2c(Br)cc(Br)cc2CBr)C[C@@H](C)C1 2149163187 QRQFFKMNXIAEHF-QWRGUYRKSA-N 469.055 6.558 50 10 JKGE CC(C)(C)OC(=O)N[C@@H]1CN(CCCCCCCCCBr)C[C@@H]1C(F)(F)F 2163057518 CAHUZLQZJOLPSK-JKSUJKDBSA-N 459.391 5.499 50 10 JKGE Clc1ccc(I)c([C@@H](Br)Cc2ccc3c(c2)CCO3)c1 2168654612 RXBFNLBPVRJOSF-AWEZNQCLSA-N 463.540 5.558 50 10 JKGE C[C@H](Cl)c1nc2cc(Cl)c(Br)cc2n1[C@@]12C[C@@H]1CN(Cc1ccccc1)C2 2169016532 BHGQGWZIKNWIJY-QDUSTFBWSA-N 465.222 5.983 50 10 JKGE COc1ccc([C@@H](Br)c2nc(C)sc2Br)c(OC)c1Br 2169496312 RDKKRPARJCPAGQ-SECBINFHSA-N 486.023 5.478 50 10 JKGE FC1(COc2c(Br)cc(CBr)cc2Br)CC2(CCC2)C1 2184445033 MEZLQXBGTCSHNM-UHFFFAOYSA-N 471.002 6.158 50 10 JKGE CC[C@@H](C[C@@H](Br)c1c(C)c(Br)cc(C)c1Br)C(C)(C)C 2201062893 QLFQIJKBRXBOHJ-GXTWGEPZSA-N 469.099 7.727 50 10 JKGE O=C(c1csc(Br)c1Br)N1CCCC12CCC(Br)CC2 2202263764 JSPSSKUIBHMCHZ-UHFFFAOYSA-N 486.067 5.585 50 10 JKGE Cc1c(Br)ccc([C@H](Br)Cc2ccc(F)cc2F)c1Br 2203688321 UKCVYYLPRXECTC-CYBMUJFWSA-N 468.961 6.477 50 10 JKGE CCOCc1cc(Br)c([C@@H](Cl)c2cscc2OCc2ccccc2)s1 2217985075 GQICKOHFBIJTQV-SFHVURJKSA-N 457.842 7.016 50 10 JKGE CCc1sc(Br)cc1[C@H](Cl)c1cc(C)ccc1I 2224053099 GRXTVXLXECAQTP-CQSZACIVSA-N 455.586 6.314 50 10 JKGE COc1sccc1[C@@H](Br)c1c(Br)cc(Cl)c(Cl)c1Cl 2224323632 SLMNPYPEKVQUHD-SECBINFHSA-N 465.421 6.964 50 10 JKGE COc1sccc1[C@H](Br)c1c(Br)cc(Cl)c(Cl)c1Cl 2224323633 SLMNPYPEKVQUHD-VIFPVBQESA-N 465.421 6.964 50 10 JKGE ClCc1nc2cc(Br)c(Br)cc2n1[C@H]1CCCN(Cc2ccccc2)C1 2225699857 BSTDUVMNIRVUPC-HNNXBMFYSA-N 497.662 6.137 50 10 JKGE Fc1ccc(Cl)c(F)c1[C@H](Br)c1c(Cl)sc(Br)c1Cl 2226586461 QIACVVNOBNZSDE-ZETCQYMHSA-N 471.375 7.233 50 10 JKGE Cc1ccc(C)c([C@H](Br)c2c(Br)cc(Cl)c(Cl)c2Cl)c1 2232510774 IJJHMHZZSPTEGS-ZDUSSCGKSA-N 457.420 7.510 50 10 JKGE Fc1cc(Br)c(Br)cc1[C@H](Br)[C@@H]1C[C@H]1C1CCOCC1 2233975921 MFUPCVMNYPGBQA-FEUHOPSXSA-N 471.002 5.849 50 10 JKGE COc1cccc([C@@H](Br)c2c(Br)cc(C)c(Br)c2C)c1 2235603517 JJORIPWANHOJSD-MRXNPFEDSA-N 463.007 6.321 50 10 JKGE CCOc1cc(Cl)c([C@@H](Br)c2sc(C)cc2Br)cc1Cl 2237633981 SFCGQDNYVBPMQH-CYBMUJFWSA-N 459.030 7.009 50 10 JKGE Cc1cc(Br)c([C@@H](Br)c2ccc(Br)c3ccccc23)s1 2237634199 VHICPLIIZRBYMI-HNNXBMFYSA-N 475.043 7.219 50 10 JKGE Clc1cc(Br)c([C@@H](Br)c2scc(Br)c2Cl)s1 2242670981 MXCSWOQDRIRUNQ-ZCFIWIBFSA-N 485.875 7.126 50 10 JKGE COc1ccc([C@@H](Br)c2cscc2Br)cc1I 2248896832 VRGKJJKJYDOPSQ-GFCCVEGCSA-N 487.982 5.608 50 10 JKGE C[C@@H](c1ccncc1Br)[C@H](Br)c1scc(Br)c1Cl 2253596258 ARJMLYWXVBWJFN-WKEGUHRASA-N 474.443 6.561 50 10 JKGE COc1cc(C)c(Cl)cc1[C@@H](Br)c1cc(I)sn1 2263469477 HVPGSOCTWDZEFK-GFCCVEGCSA-N 458.546 5.202 50 10 JKGE Cc1cc(Br)cc([C@H](Br)c2c(Br)cc(C)c(F)c2C)c1 2279159183 VGVSOYWAMWFIHD-HNNXBMFYSA-N 464.998 6.760 50 10 JKGE COc1ccc([C@H](Br)c2scc(Br)c2Br)c2c1CCC2 2284520462 HGEVYVBICYRZMF-ZDUSSCGKSA-N 481.047 6.255 50 10 JKGE COc1ccc([C@@H](Br)c2cc3c(s2)CCCC3)cc1I 2285009485 MUNUFCQMAISIDY-MRXNPFEDSA-N 463.178 5.724 50 10 JKGE Fc1cc(Br)c(F)c(Br)c1[C@H](Br)[C@@]12CCC[C@H]1OCC2 2288358140 MUCOTXPUEFTUQF-BIGNPOOSSA-N 474.965 5.885 50 10 JKGE COc1c(Br)cc(Cl)c(C)c1[C@@H](Cl)c1cccc(I)c1 2295372988 NQHCOYZEBNWXNK-AWEZNQCLSA-N 485.974 6.352 50 10 JKGE COc1c(Br)cc(Cl)c(C)c1[C@H](Cl)c1nc(C)sc1Br 2295381862 UIXXAIMWFHHAFX-JTQLQIEISA-N 460.018 6.275 50 10 JKGE Cc1ccc(C[C@H]2SC(=C(C#N)C(=O)Nc3ccc(C)cc3)N(c3ccc(Cl)cc3)C2=O)cc1 2296834857 SMWCKOIIQANTRS-XMMPIXPASA-N 488.012 6.022 50 10 JKGE CCc1ccccc1NC(=O)C(C#N)=Cc1ccc(OCc2ccc(Br)cc2)c(OC)c1 2313681068 CZUAJWVHDYGQOG-UHFFFAOYSA-N 491.385 6.145 50 10 JKGE Fc1c(Cl)cccc1[C@@H](Br)c1ccc(OCc2ccccc2)cc1Br 2314449912 UMHZXKRNLZYFAM-IBGZPJMESA-N 484.590 7.305 50 10 JKGE Cc1cccc([C@@H](Cl)c2ccc(OCc3ccccc3)cc2Br)c1Br 2314451579 GLSYHRCLWYKNMK-NRFANRHFSA-N 480.627 7.427 50 10 JKGE CCOc1cccc(-c2nn(-c3ccccc3)cc2C=C(C#N)S(=O)(=O)c2ccc(C)cc2)c1 2314475680 AIDVNVCHGXYGLU-UHFFFAOYSA-N 469.566 5.585 50 10 JKGE FC(F)(F)[C@@H]1CCc2c(Br)cc(OCc3ccccc3)cc2[C@H](Br)C1 2314479900 FCEIIHQDKXAQIZ-CXAGYDPISA-N 478.146 6.979 50 10 JKGE Cc1cccc(NC(=O)C(C#N)=Cc2ccc(N3N=C(c4ccccc4)C[C@H]3c3ccccc3)cc2)c1 2314482310 HFKWCVRRSKOJEH-HKBQPEDESA-N 482.587 6.896 50 10 JKGE O=S1(=O)CCCC[C@H]1[C@@H](Br)c1cc(Br)ccc1OCc1ccccc1 2314492221 VRRNHMLSFOJGLI-OALUTQOASA-N 488.241 5.431 50 10 JKGE CCOC(=O)c1c(NC(=O)C(C#N)=Cc2ccc(OC)c(OCC)c2)sc2c1CC[C@@H](C)C2 2314571917 OORNCANPEOSZEY-OAHLLOKOSA-N 468.575 5.003 50 10 JKGE CCOc1ccc(N2C(=O)[C@H](Cc3ccccc3C)SC2=C(C#N)C(=O)Nc2ccc(C)cc2)cc1 2314591728 CJRWPPGPUFZQFR-SANMLTNESA-N 497.620 5.767 50 10 JKGE CC[C@H](C(C)C)[C@H](Br)c1c(Cl)cc(Br)c(F)c1Br 2315457276 AXOXPQPBYHLQBS-HQJQHLMTSA-N 465.426 7.122 50 10 JKGE Fc1c(Br)cc(Cl)c([C@@H](Br)c2ccccc2)c1Br 2315457680 FRNCNBHLYHDALB-NSHDSACASA-N 457.362 6.488 50 10 JKGE COc1ccc([C@@H](NC(=O)C(C#N)=Cc2cccc(Br)c2)c2nc(C)cs2)cc1 2329693100 HZCATLSCVLWSEH-HXUWFJFHSA-N 468.376 5.035 50 10 JKGE CCOc1ccc(-c2csc(C(C#N)=C(O)CCCOc3ccc(C(C)(C)C)cc3)n2)cc1 2331305629 ZWKSICBNTRVLND-UHFFFAOYSA-N 462.615 7.158 50 10 JKGE N#CC(=C(O)c1ccc2c(c1)C(=O)N(C1CCCCC1)C2=O)c1nc(-c2c[nH]c3ccccc23)cs1 2331346660 BZXZLNSLIKATJU-UHFFFAOYSA-N 494.576 6.170 50 10 JKGE Cc1cc(C)c(-c2csc(C(C#N)=C(O)c3ccc(N4C(=O)c5ccccc5C4=O)cc3)n2)c(C)c1 2331393071 MLDRDWYCAJYTPY-UHFFFAOYSA-N 491.572 6.486 50 10 JKGE COc1cc(C=C(C#N)c2nc(-c3cc(Cl)cc(C)c3OC)cs2)cc(OC)c1OC 2331474365 BDQDOMMIAHDXJX-UHFFFAOYSA-N 456.951 5.871 50 10 JKGE Fc1cc(Br)c(F)c(Br)c1[C@@H](Br)[C@@H]1C[C@H]2CC[C@@H]1O2 2334739314 BJMYIYRNQKQWIU-IJEVMQKGSA-N 460.938 5.493 50 10 JKGE Fc1c(Br)cc(Cl)c([C@H](Br)[C@@H]2[C@@H]3CCCO[C@@H]32)c1Br 2337084841 QHBYUZXIINYLHZ-VQOPIEAWSA-N 477.393 5.865 50 10 JKGE Cc1cc(Br)c(F)c(Br)c1[C@H](Br)C[C@@]12CCC[C@H]1C2 2339655078 CLVHRUAZGSDDDS-ISOBSLSZSA-N 455.003 6.675 50 10 JKGE C[C@@H](C[C@@H]1CCOC1)Oc1c(Br)cc(Br)cc1CBr 2353430232 JTLYFBSMIYYCGK-UWVGGRQHSA-N 457.000 5.300 50 10 JKGE Fc1c(Br)cc(Cl)c([C@@H](Cl)C2(C(F)(F)F)CCC2)c1Br 2362237508 RXPOPYBCTAYZBB-SNVBAGLBSA-N 458.902 7.017 50 10 JKGE Clc1ccc(C[C@@H](CBr)Cc2ccc(Cl)c(I)c2)cc1 2362376384 UIVJYXLBXJWASX-CYBMUJFWSA-N 484.002 6.394 50 10 JKGE CC12CC(C1)[C@@H]([C@@H](Br)c1c(F)cc(Br)c(F)c1Br)CO2 2362892153 FQHXWZWMGVYKHA-AAGZOSRKSA-N 474.965 5.741 50 10 JKGE Cc1cc(Br)c(F)c(Br)c1[C@H](Br)C1[C@H]2[C@H]3CC[C@@H](C3)[C@H]12 2365214888 FICPDNVJRYEANT-SOKPQWBDSA-N 467.014 6.387 50 10 JKGE CCCCc1ccc([C@H](Br)c2ccc(Cl)cc2I)cc1 2365592804 PXPJYVYHXRFJCC-KRWDZBQOSA-N 463.584 6.772 50 10 JKGE CC(C)[C@@H](Cl)C(C)(C)CNC(=O)c1cc(I)ccc1Br 2366009612 OEZTZPNJLPYOHC-CYBMUJFWSA-N 472.592 5.073 50 10 JKGE N#C/C(=C/c1c[nH]c2ccc(OCc3ccccc3)cc12)C(=O)Nc1ccccc1C(F)(F)F 2801041 MFAPHANICYBZPU-PDGQHHTCSA-N 461.443 6.311 50 10 JKGE O=C(NC1CCCCCC1)[C@H](c1ccc(Cl)cc1)N(Cc1ccc(F)cc1)C(=O)CCl 3038770 RMUICAAUNNBWBO-QHCPKHFHSA-N 465.396 5.627 50 10 JKGE O=C(c1cccs1)N(/N=C/c1ccc([N+](=O)[O-])s1)c1nc2ccc(Br)cc2s1 12488143 DYFKWLVUURKSFZ-DJKKODMXSA-N 493.389 5.771 50 10 JKGE O=C(NNC(=S)NC(=O)C(c1ccccc1)c1ccccc1)c1sc2ccccc2c1Cl 12502704 QYWIXURUFKQWIH-UHFFFAOYSA-N 480.014 5.022 50 10 JKGE CC[C@@H](Oc1ccc(-c2ccccc2)cc1)C(=O)NNC(=O)c1ccc(-c2ccccc2)cc1 14768354 JHNLLWOLJPDDHT-HHHXNRCGSA-N 450.538 5.639 50 10 JKGE COc1ccc(/C=N/NC(=O)CSc2nc3ccccc3[nH]2)cc1OCc1ccc(Cl)cc1 32522899 NWNBOMRYPIUHSV-LGJNPRDNSA-N 480.977 5.046 50 10 JKGE Cc1cc(/C=C(\C#N)C(=O)Nc2ccc(Cl)cc2)c(C)n1-c1sc2c(c1C#N)CCCC2 33409241 YVLMAKRSNPJUCY-LDADJPATSA-N 460.990 6.105 50 10 JKGE C/C(=N/NC(=O)c1ccc(COc2cc(C)ccc2C(C)C)cc1)c1ccc(C(C)(C)C)cc1 34896929 CSFKHWHNJYFZNR-VAMRJTSQSA-N 456.630 7.149 50 10 JKGE N#C/C(=C/c1cn(Cc2ccc(F)cc2)c2ccccc12)C(=O)Nc1nnc(C(F)(F)F)s1 35190305 SVVISPJFBJLATR-ZROIWOOFSA-N 471.439 5.245 50 10 JKGE CCCCOc1cccc(-c2nn(-c3ccccc3)cc2/C=C(/C#N)C(=O)NC2CCCCC2)c1 35446789 JSNQLXGWDPZKPD-NKFKGCMQSA-N 468.601 6.074 50 10 JKGE N#CC1=C(N)Oc2cc(OC(=O)C(c3ccccc3)c3ccccc3)ccc2[C@@H]1c1cccc(Cl)c1 38651266 SVTZAHVGAMKDOK-NDEPHWFRSA-N 492.962 6.296 50 10 JKGE Cc1cccc(C)c1OCC(=O)Oc1ccc2c(c1)OC(N)=C(C#N)[C@@H]2c1ccc(Cl)cc1 38651355 VUZRCDRYHLMEMT-XMMPIXPASA-N 460.917 5.159 50 10 JKGE CSc1ccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)[C@@H](C)Oc4ccccc4F)ccc32)cc1 38682423 UUXIUTQVHQGGIM-OYLFLEFRSA-N 476.529 5.139 50 10 JKGE CCCOc1cccc(C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@H]3c2cccc(OCC)c2)c1 38684951 VDGASEKXJLZCQV-SANMLTNESA-N 470.525 5.311 50 10 JKGE Cc1c(C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@@H]3c2ccc(Cl)c(Cl)c2)oc2ccccc12 38688321 MXESBYDQFJPIAY-HSZRJFAPSA-N 491.330 6.485 50 10 JKGE C=CCOc1ccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4ccc(OC)c(Cl)c4)ccc32)cc1 38688594 ZYMLKNSBKZBROO-VWLOTQADSA-N 488.927 5.351 50 10 JKGE CCCOc1cccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4oc5ccccc5c4C)ccc32)c1 38700995 SUGYBJNFIYTVIN-SANMLTNESA-N 480.520 5.967 50 10 JKGE Cc1ccc2[nH]c(-c3ccccn3)c(CCCC(=O)NNC(=O)c3ccc(Br)cc3)c2c1 39852553 DZYXRWUMACCONA-UHFFFAOYSA-N 491.389 5.085 50 10 JKGE Cc1ccc(C(C)C)c(OC(=O)c2oc3c(c2C)/C(=N/NC(=O)c2ccc(O)cc2)CCC3)c1 40812108 UCGBYVGFGVPZGR-SGWCAAJKSA-N 460.530 5.415 50 10 JKGE Cc1ccc(C)c([C@H](C)NC(=O)/C(C#N)=C\c2cccn2Cc2ccc(Cl)cc2Cl)c1 96437824 OPFWJFXXRFMWHA-HRVJUDJTSA-N 452.385 6.244 50 10 JKGE Fc1cc(Br)ccc1C[C@@H](CBr)Cc1ccccc1Br 97186006 TZIMICXDEFACFR-NSHDSACASA-N 464.998 6.147 50 10 JKGE O=C(NC1CCCCCC1)[C@H](c1ccc(Cl)cc1)N(CCc1ccc(Cl)cc1)C(=O)CCl 97914851 FHQBDXZWNJHOFE-DEOSSOPVSA-N 495.878 6.184 50 10 JKGE Cc1ccc(N2C(=O)[C@H](Cc3ccccc3F)S/C2=C(/C#N)C(=O)Nc2ccccc2)cc1C 101244812 FRPFDBAOQKSUDR-MZOFLMDJSA-N 471.557 5.508 50 10 JKGE Cc1ccc(NC(=O)[C@H](Br)[C@H](Br)c2ccccc2)c(Br)c1 101642720 ZDUCHERKUCBCPZ-HUUCEWRRSA-N 476.006 5.596 50 10 JKGE CCn1nc(C)c(Br)c1C[C@@H](CBr)c1ccccc1Br 118867601 VLNQFZFXBUIGPZ-NSHDSACASA-N 465.027 5.458 50 10 JKGE Clc1cnccc1CC(CBr)(CBr)c1ccc(Br)cc1 118878481 FOBQBLGTURSZMH-UHFFFAOYSA-N 482.441 5.768 50 10 JKGE CN1Cc2cc([C@H](Cl)c3cc(Br)c(Br)s3)ccc2NC1=O 123211692 ADZRRNZHJRFWFH-LBPRGKRZSA-N 450.583 5.579 50 10 JKGE O=C1CCc2cc([C@H](Br)c3cc(Br)c(Br)s3)c(F)cc2N1 128555740 SDEXLYUPPVIGQC-ZDUSSCGKSA-N 498.009 5.781 50 10 JKGE FC(F)(F)c1ccc(Br)c([C@@H](Br)Cc2ccc(Br)cc2)c1 159875686 NKXPZTZMVKMQMD-AWEZNQCLSA-N 486.951 6.909 50 10 JKGE COc1cc(C)c(Br)cc1[C@H](Br)c1cc(C)ccc1Br 161769827 JZXPYWJTKYLCJQ-MRXNPFEDSA-N 463.007 6.321 50 10 JKGE BrCC(CBr)(Cc1cncs1)c1ccc(Br)cc1 165553951 YCPPPCXZVDFDKC-UHFFFAOYSA-N 454.025 5.176 50 10 JKGE COc1ccc([C@H](Cl)c2cc(Br)ccc2Cl)c(OC)c1Br 224844579 UVBCQSBAVLVXQW-AWEZNQCLSA-N 454.973 6.210 50 10 JKGE Brc1cc([C@@H](Br)c2cc3c(cc2Br)OCCCO3)cs1 232484125 YHTFBWGNICSFCP-CQSZACIVSA-N 483.019 5.919 50 10 JKGE COc1ccc([C@@H](Br)c2cc(I)ccc2Br)cc1C 234975912 JUZASRBBRPHTRJ-OAHLLOKOSA-N 495.980 5.855 50 10 JKGE Cc1cc([C@H](Br)c2ccc(Br)cc2Br)c(C)cc1Cl 235860600 RYKOOSKTPUDTEY-OAHLLOKOSA-N 467.426 6.966 50 10 JKGE Cc1cc(C=NNC(=O)Cc2cccc(C(F)(F)F)c2)c(C)n1-c1sc2c(c1C#N)CCCC2 252625568 QMVQFBGABPHCSO-UHFFFAOYSA-N 484.547 5.618 50 10 JKGE O=C(NN=Cc1cn(Cc2ccc(Cl)cc2Cl)c2ccccc12)c1ccc([N+](=O)[O-])cc1 252628150 SJJNWUUWFLNDDU-UHFFFAOYSA-N 467.312 5.669 50 10 JKGE COc1ccc(C=NNC(=O)[C@@H](C)Oc2ccc3ccccc3c2)cc1CSc1ccccn1 254624579 NBIZKBQEJWKETL-LJQANCHMSA-N 471.582 5.453 50 10 JKGE CCCC(=NNC(=O)c1cc(-c2ccccc2)nc2c(Cl)cccc12)c1ccc(Cl)s1 254816526 HTCUCMAZUWONBW-UHFFFAOYSA-N 468.409 7.204 50 10 JKGE Fc1ccc([C@H](Br)c2sccc2I)cc1Br 309274588 SNYWSYPVJNTYOC-JTQLQIEISA-N 475.946 5.739 50 10 JKGE Fc1cc2c(cc1Br)nc(CCl)n2C[C@H]1CCCN(Cc2ccccc2)C1 312389157 CPEFETWOENVHKA-INIZCTEOSA-N 450.783 5.589 50 10 JKGE CCOc1cc(Cl)c([C@@H](Br)c2cccc(OCc3ccccc3)c2)cc1Cl 312491619 BGIGMEFAMQYEHB-QFIPXVFZSA-N 466.202 7.455 50 10 JKGE Cc1c(Cl)ccc2nc(CCl)n(CCCN(Cc3ccccc3)Cc3ccccc3)c12 390556409 INUQJEJEBJGLSF-UHFFFAOYSA-N 452.429 6.829 50 10 JKGE Brc1cc2c(cc1[C@@H](Br)c1occc1Br)OCCO2 696526637 GRQJEDIKAPPKJK-GFCCVEGCSA-N 452.924 5.060 50 10 JKGE Cc1sc([C@H](Br)c2cc(Cl)ccc2Br)c(C)c1Br 724910490 VTAYJNKJEZOCEO-GFCCVEGCSA-N 473.455 7.028 50 10 JKGE Cc1c(Br)c(C=NNC(=O)CSCc2ccc(Cl)cc2)c(C)n1-c1ccccc1 725447284 WLIUBSFHPCPXPW-UHFFFAOYSA-N 490.854 5.894 50 10 JKGE CCCN(CCC)c1ccc(C(=O)NN=Cc2ccccc2OCc2ccc(C(=O)O)cc2)cc1 1084043239 IOPSTOUQLAVCRE-UHFFFAOYSA-N 473.573 5.354 50 10 JKGE O=C(CCCC(=O)Nc1ccc(Br)cc1)NN=Cc1c2ccccc2cc2ccccc12 1084131398 OCIRIMJWKFJKDF-UHFFFAOYSA-N 488.385 6.015 50 10 JKGE N#CC1=C(N)Oc2c(c(C(F)(F)F)nn2Cc2ccc(Cl)cc2)[C@H]1c1cc(Cl)ccc1O 1865689000 HEPAXWRIRQOPKW-INIZCTEOSA-N 481.261 5.181 50 10 JKGE CCCCCOc1ccc([C@@H]2C(C#N)=C(N)Oc3c2c(C)nn3-c2ccc(Cl)c(Cl)c2)cc1 1865689680 CIOJJXPBOAULGA-HSZRJFAPSA-N 483.399 6.275 50 10 JKGE COc1cccc([C@@H]2C(C#N)=C(N)Oc3c2c(-c2ccccc2)nn3Cc2ccc(C)cc2)c1OC 1865701281 RIDOJBMPXQFAJE-XMMPIXPASA-N 478.552 5.142 50 10 JKGE CC(C)Oc1ccccc1[C@H]1C(C#N)=C(N)Oc2c1c(C(F)(F)F)nn2Cc1ccc(F)cc1 1865705566 ZDKNVEYIIQFPNH-IBGZPJMESA-N 472.442 5.095 50 10 JKGE COc1ccc(-c2nn(-c3cccc(Cl)c3)c3c2[C@@H](c2cccc(C)c2)C(C#N)=C(N)O3)cc1 1865711157 QWJGPGJHKMLJSW-QHCPKHFHSA-N 468.944 5.728 50 10 JKGE CC(C)CSc1ccc(C(=O)NNC(=O)c2cc(C(F)(F)F)cc(C(F)(F)F)c2)cc1 1865758251 QUWGIBRNAYFCKE-UHFFFAOYSA-N 464.431 5.547 50 10 JKGE CC[C@](C)(NC(=O)[C@@H](c1ccc(C(C)C)cc1)C(C)C)C(=O)Nc1ccc(SC#N)cc1 1866960325 FMOKUSAGCBRHEA-BVAGGSTKSA-N 451.636 6.046 50 10 JKGE COc1ccc(-c2csc(/C(C#N)=C(\O)[C@H](CC(C)C)N3C(=O)c4ccccc4C3=O)n2)cc1 1872746056 PDIJKXNBSLCPDZ-MBDQKHHZSA-N 473.554 5.322 50 10 JKGE COc1ccccc1-c1csc(/C(C#N)=C(\O)c2ccc(N3C(=O)c4ccccc4C3=O)cc2)n1 1872747219 SNVTVLUIHPTQHB-FLFQWRMESA-N 479.517 5.569 50 10 JKGE COc1ccc(-c2csc(/C(C#N)=C(\O)c3cc(OC)c(OC)c(OC)c3)n2)c(C)c1C 1872753704 JLZPCBJZNZZTEA-XLNRJJMWSA-N 452.532 5.411 50 10 JKGE COc1c(Cl)cc(-c2csc(/C(C#N)=C(\O)CCCOc3ccc(C)cc3)n2)cc1Cl 1872755734 CIUUOZMBXRBXDP-FXBPSFAMSA-N 475.397 7.086 50 10 JKGE COc1ccc(-c2csc(/C(C#N)=C/c3cc(Br)c(OC(C)C)c(OC)c3)n2)cc1 1872780652 GTAZKEIWNBEHFB-RQZCQDPDSA-N 485.403 6.441 50 10 JKGE N#C/C(=C(/O)CNC(=O)c1ccc(Cl)cc1Cl)c1nc(-c2ccc(F)cc2F)cs1 1872818070 LLPWOJGGNDPCPX-JXAWBTAJSA-N 466.296 5.618 50 10 JKGE COc1ccc(OC)c(-c2csc(/C(C#N)=C(O)/C=C/c3ccc(Cl)c(Cl)c3)n2)c1 1873920945 NCNYKPVWHXDTIY-LJMHTFSHSA-N 459.354 6.640 50 10 JKGE Cc1cc(C)c(S(=O)(=O)N(Cc2ccccc2)Cc2ccccc2)cc1CBr 1885383590 XQVYRDCXJJCOGF-UHFFFAOYSA-N 458.421 5.589 50 10 JKGE CCC[C@H](CBr)CSc1cc(I)ccc1Br 1900780360 NKXBVDKPUCIZAZ-SECBINFHSA-N 478.031 5.957 50 10 JKGE Brc1cc([C@@H](Br)C2CC3(CCCCC3)C2)sc1Br 1912560307 YYQVIDMIWWZIPH-LBPRGKRZSA-N 457.069 7.070 50 10 JKGE CC[C@H](Br)CN(Cc1ccccc1)C(=O)c1cccc(C)c1I 1915075568 GMNIWSQULIHUML-INIZCTEOSA-N 486.191 5.416 50 10 JKGE O=C(c1ccc(I)c(Cl)c1)N(Cc1ccccc1)[C@@H](CCl)C1CC1 1915159917 UQPCSBUYCHHHHT-SFHVURJKSA-N 474.169 5.604 50 10 JKGE CC(C)[C@@H](CBr)N(Cc1ccccc1)Cc1ccc(Cl)cc1Br 1915298653 WBZXCDOSAVRBQI-LJQANCHMSA-N 459.653 6.524 50 10 JKGE O=C(c1ccc2cc(Br)ccc2c1)N(Cc1ccccc1)[C@H](CBr)C1CC1 1915315646 XSAPWYCZITWLDQ-JOCHJYFZSA-N 487.235 6.418 50 10 JKGE Brc1cccc(Br)c1CN1CC[C@]2(CCC[C@@H]2Br)C1 1918937029 UGWASWPOLLEVFU-LSDHHAIUSA-N 452.028 5.351 50 10 JKGE CCOc1ccccc1[C@H](Br)c1sc(Br)cc1Br 1922945100 CLGITENJECMGMX-LBPRGKRZSA-N 455.009 6.156 50 10 JKGE Cc1c(Br)sc([C@@H](Cl)Cc2ccc(Cl)c(Cl)c2)c1Br 1922953830 HZFCYOVABFFYSQ-JTQLQIEISA-N 463.449 7.411 50 10 JKGE CCO[C@@H]1C[C@H]1[C@@H](Br)c1c(Br)sc(Br)c1Cl 1923050597 XICDJZGNWUPADX-WYDQCIBASA-N 453.421 5.788 50 10 JKGE C[C@@H]1C[C@H]([C@@H](Br)c2c(Br)sc(Br)c2Cl)[C@@H](C)O1 1923062848 SXYGKKXLHDGVOM-MNCSTQPFSA-N 467.448 6.176 50 10 JKGE C[C@@H]1[C@@H]([C@H](Cl)c2c(Br)sc(Br)c2Br)C1(F)F 1924569347 UFGVTVDJYJVSER-CJPQEGFPSA-N 459.375 6.217 50 10 JKGE CCc1sc(Br)cc1[C@H](Br)c1cscc1OCc1ccccc1 1939530188 ZSXANSHUDHJSRG-SFHVURJKSA-N 472.267 7.198 50 10 JKGE C[C@H]1C[C@@H](N(C)c2cccc(Br)c2CBr)CN1Cc1ccccc1 1949206326 ZVHQWFZOTHGZFE-DOTOQJQBSA-N 452.234 5.443 50 10 JKGE Cc1c(Br)sc([C@@H](Cl)c2cc(Br)cs2)c1Br 1981402018 RLVOMMQYPKASAS-QMMMGPOBSA-N 465.457 6.734 50 10 JKGE CCc1sc(Br)cc1[C@@H](Br)Cc1ccccc1Br 2030227179 POMBJHCFJMNYMS-LBPRGKRZSA-N 453.037 6.514 50 10 JKGE COc1ccc([C@@H](Cl)c2csc(Br)c2Br)cc1Br 2032959164 VWXAUQBYAZACCJ-LLVKDONJSA-N 475.427 6.372 50 10 JKGE CN(c1ccc(CBr)c(Br)c1)[C@@H]1CC(C)(C)[C@@H]1OCc1ccccc1 2038795702 WPWLTIFPZHPTPU-WOJBJXKFSA-N 467.245 6.164 50 10 JKGE C[C@@H]1CCC[C@@H]([C@@H](Br)c2c(Br)sc(Br)c2Cl)CC1 2039358739 DSVNMJDFMXCWRE-NQMVMOMDSA-N 479.503 7.579 50 10 JKGE CC(C)CC(CBr)(CBr)Cc1cc(Cl)cc(Br)c1 2047993685 VVIZFJQTKGCGEW-UHFFFAOYSA-N 461.463 6.467 50 10 JKGE Fc1cc(Br)cc(N2CCCN(Cc3ccccc3)CCC2)c1CBr 2051132103 VDFCXCOAPZTOKN-UHFFFAOYSA-N 470.224 5.586 50 10 JKGE Cc1ccc([C@H](Br)c2c(C)c(Br)cc(C)c2Br)s1 2081071901 QHQKJMMXRNAFJP-AWEZNQCLSA-N 453.037 6.683 50 10 JKGE Cc1nn(C)c([C@@H](Br)c2c(Br)sc(C)c2C)c1Br 2082870179 FPWIPLXLHAXKMQ-JTQLQIEISA-N 457.029 5.416 50 10 JKGE Brc1cccc([C@H](Br)c2csc3ccccc23)c1Br 2092327683 DJNQICKZMUMEPY-AWEZNQCLSA-N 461.016 6.911 50 10 JKGE CCOc1ccc([C@H](Br)c2cc(Br)sc2C)c(Br)c1 2095700202 VTXYEGRZEFDEOH-AWEZNQCLSA-N 469.036 6.465 50 10 JKGE Cn1nc([C@@H](Br)c2cc(Br)c(Cl)cc2F)c(Br)c1Cl 2110720532 MXJBHMFTHSZRRU-QMMMGPOBSA-N 495.799 5.875 50 10 JKGE Fc1cc(Br)cc(Oc2cccc(Br)c2Cl)c1CBr 2114265961 LPXHTWDTULFBHM-UHFFFAOYSA-N 473.361 6.691 50 10 JKGE Cc1cc(Br)c([C@@H](Br)C2(C(C)(F)F)CCC2)cc1Br 2133692718 MIEZSDMCDXEYRH-GFCCVEGCSA-N 460.982 6.782 50 10 JKGE CC[C@H](C[C@H](Br)c1ccc(Br)c(C)c1Br)C(C)(C)C 2138869189 YNOFHBRIJKUITK-RISCZKNCSA-N 455.072 7.418 50 10 JKGE FC1(F)CCCCC[C@@H]1[C@@H](Br)c1ccc(Br)cc1Br 2138873802 QQZBCDHWRPYBNK-YPMHNXCESA-N 460.982 6.863 50 10 JKGE Cc1c(Br)ccc([C@H](Br)[C@@H]2CCC[C@H](C)CC2)c1Br 2138874854 ZRSUWDJNFLJGOE-KANYHAFZSA-N 453.056 7.172 50 10 JKGE Cc1c(F)ccc([C@@H](Cl)c2cc(Br)ccc2I)c1C 2138909020 JTQLWDNLALHXCB-OAHLLOKOSA-N 453.520 6.138 50 10 JKGE CC1(C)C[C@@](C)(CBr)CN1Cc1ccc(I)c(Cl)c1 2142943374 LUZWJQJZAWSOHT-HNNXBMFYSA-N 456.593 5.330 50 10 JKGE BrCc1cc(Br)c(OCC2[C@@H]3CCCCC[C@@H]23)c(Br)c1 2167300983 YECASZQUOPVOBY-VXGBXAGGSA-N 467.039 6.312 50 10 JKGE C[C@H]1CN(Cc2ccccc2)CC[C@H]1n1c(CCl)nc2cc(Cl)c(Br)cc21 2169008603 GCNFWKOMBOMIHY-IFXJQAMLSA-N 467.238 6.274 50 10 JKGE CN(C(=O)c1ccc(Br)cc1Br)C1(CBr)CCCCC1 2170167610 YOPDBFZGBSLUHU-UHFFFAOYSA-N 468.027 5.381 50 10 JKGE Cc1cc(Br)c(C(=O)N[C@H](C)CCCCCI)cc1Cl 2174526390 JKCJJRGFZYODMG-LLVKDONJSA-N 472.592 5.525 50 10 JKGE C[C@@H](c1cccs1)N(Cc1ccccc1)S(=O)(=O)Cc1ccc(CBr)cc1 2179791252 ORIQDTRMBKPZFO-KRWDZBQOSA-N 464.450 5.736 50 10 JKGE CC(C)(C)NCc1cc(Br)c(OC[C@H]2C[C@H]2Br)c(Br)c1 2196907795 TURPSLKYICZODS-GHMZBOCLSA-N 470.043 5.262 50 10 JKGE COc1c(Cl)cc(Br)cc1[C@@H](Cl)c1cccc(Br)c1Cl 2203000544 UHSJOXPYWXYPJN-LBPRGKRZSA-N 459.392 6.855 50 10 JKGE Cc1c(Br)ccc([C@@H](Br)[C@H]2C[C@H]3COC[C@H](C3)C2)c1Br 2206755163 SIBMEXLLKZLPBE-BUWBCJGYSA-N 467.039 6.019 50 10 JKGE Fc1cc(Br)c(Br)cc1[C@@H](Br)CC(C1CC1)C1CC1 2225633652 KVCNLAABHRAWEK-LBPRGKRZSA-N 455.003 6.613 50 10 JKGE Cc1sc([C@@H](Br)c2cc(C3CC3)c(Br)s2)c(C)c1Br 2226078768 UALLKUMOMZFNSL-LBPRGKRZSA-N 485.104 7.313 50 10 JKGE Cc1cc(Br)c([C@H](Br)C23CCC(CC2)C3)c(C)c1Br 2227359327 HEFABNFLZSOAJT-AJQRCPHMSA-N 451.040 6.845 50 10 JKGE Clc1cc(Cl)cc(C[C@@H](Cl)c2cc(I)ccc2Br)c1 2232135475 HJLMDBRHSAUMEJ-CQSZACIVSA-N 490.393 6.883 50 10 JKGE Clc1cc(Br)c([C@H](Br)c2cc3sccc3s2)c(Cl)c1Cl 2232514578 VSWPOJGCNKULAZ-LLVKDONJSA-N 491.484 8.170 50 10 JKGE Cc1c(Br)csc1[C@@H](Br)c1cc2c(cc1Br)NC(=O)C2 2234515009 FSRNJICHNKGEFZ-ZDUSSCGKSA-N 480.019 5.560 50 10 JKGE Cc1cc(Br)c([C@@H](Cl)c2cc(F)ccc2Br)c(C)c1Br 2235603342 IRGDNVQDQXJCFJ-HNNXBMFYSA-N 485.416 7.058 50 10 JKGE Cc1cc(Br)c([C@H](Br)[C@@H]2OCCOC2(C)C)c(C)c1Br 2235606541 CLIDPLIEQWVRFK-KBPBESRZSA-N 471.027 5.458 50 10 JKGE Cc1cc(Br)c([C@@H](Cl)c2nn(C)c(Cl)c2Cl)c(C)c1Br 2235614601 JKGYXSWCFNFCGS-SNVBAGLBSA-N 461.412 6.197 50 10 JKGE Cc1sc([C@H](Br)c2cc(Br)ccc2Cl)c(Br)c1C 2253505564 RTJLEVLSYTZPCQ-GFCCVEGCSA-N 473.455 7.028 50 10 JKGE Cc1c(F)ccc([C@H](Br)c2ccc(Cl)c(I)c2)c1C 2268271108 YUGMCNZCZSOEGT-OAHLLOKOSA-N 453.520 6.185 50 10 JKGE COc1ccc([C@H](Br)c2cccc(Br)c2C)cc1I 2269556063 LDUCJTNOODFPDE-HNNXBMFYSA-N 495.980 5.855 50 10 JKGE Fc1cc(Br)c(F)c(Br)c1[C@@H](Br)C[C@@H]1C[C@H]2C[C@H]2C1 2272723613 ZXYLIQBQHLUBPK-KZVJFYERSA-N 458.966 6.362 50 10 JKGE Fc1cc(Br)c(F)c(C[C@@H](Br)c2ccc(Br)cc2)c1 2272898724 YZJRCVRFWQSJKY-GFCCVEGCSA-N 454.934 6.169 50 10 JKGE Cc1cc(Br)c([C@H](Br)[C@H]2CCC(F)(F)C2)c(C)c1Br 2277734492 MWTCQTMZVDAYHC-TVQRCGJNSA-N 460.982 6.700 50 10 JKGE CCC1CCC([C@H](Br)Cc2cc(Br)cc(Br)c2)CC1 2277961224 QPEIZRSPRQLCAZ-IJGSQOGDSA-N 453.056 6.734 50 10 JKGE COc1c([C@H](Cl)c2c(F)cc(Br)c(F)c2Br)csc1Cl 2288355824 QJZUUYBFBSIPEM-VIFPVBQESA-N 466.956 6.542 50 10 JKGE COc1ccc(Br)cc1[C@H](Cl)Cc1cc(Br)cc(Br)c1 2295265661 UCYUSQMASYDOEN-CQSZACIVSA-N 483.425 6.505 50 10 JKGE N#CC(=CNc1ccccc1OC(F)(F)[C@H](F)Cl)c1nc(-c2ccc(Cl)cc2)cs1 2295956283 VUKLCTDMLNYOAW-IBGZPJMESA-N 470.303 6.946 50 10 JKGE COc1cc(NC=C(C#N)c2nc(-c3cc4ccccc4oc3=O)cs2)c(C)cc1[N+](=O)[O-] 2296056491 WYPILQHKYYVPMU-UHFFFAOYSA-N 460.471 5.118 50 10 JKGE COc1ccc2cc(C=C(C#N)c3nc(-c4ccc(-c5ccccc5)cc4)cs3)c(Cl)nc2c1 2297315570 ZSSNPRGMEKYRKS-UHFFFAOYSA-N 479.992 7.751 50 10 JKGE Brc1ccc(OCc2ccccc2)c([C@H](Br)C2CC(C3CC3)C2)c1 2299531785 ZFTSKPYNYIWEGX-MYKUNDNFSA-N 450.214 6.900 50 10 JKGE CC1(C)CC[C@@H](Cc2ccc(I)c(Br)c2)[C@H]1Br 2306200306 WJUPJFJTPMTIJK-GXFFZTMASA-N 472.002 5.796 50 10 JKGE N#CC(=Cc1cc(Br)cc(Br)c1O)C(=O)Nc1cccc(Cl)c1Cl 2313570702 DIAVEXKEPBGIEM-UHFFFAOYSA-N 490.966 5.770 50 10 JKGE CCSc1ccc(-c2nn(-c3ccccc3)cc2C=C(C#N)C(=O)NCc2ccccc2)cc1 2314478514 PCYQBGAEYCOXNX-UHFFFAOYSA-N 464.594 5.875 50 10 JKGE Cc1ccccc1Oc1nc2ccccn2c(=O)c1C=C(C#N)C(=O)Nc1cccc(Cl)c1Cl 2314533101 OOAFJIUBCXKIGL-UHFFFAOYSA-N 491.334 5.648 50 10 JKGE COc1ccc(N2C(=O)[C@H](Cc3ccccc3Cl)SC2=C(C#N)C(=O)Nc2ccccc2)cc1 2314591653 ANGVYUYBVXVSSI-QHCPKHFHSA-N 489.984 5.414 50 10 JKGE Cc1cccc(C[C@H]2SC(=C(C#N)C(=O)N[C@H](C)c3ccccc3)N(c3ccc(C)c(C)c3)C2=O)c1 2314593395 MISWIATZKHXNDG-AJTFRIOCSA-N 495.648 5.916 50 10 JKGE C[C@@H]1CCCC[C@]1(CBr)Cc1ccc(I)c(Br)c1 2325222468 SAOPHYVPQSCTBI-IAQYHMDHSA-N 486.029 6.188 50 10 JKGE Cc1ccc(C(=CC(=O)N[C@H](Cc2ccccc2)C(=O)Nc2ccc(SC#N)cc2)C2CC2)cc1C 2329618123 LBFVQILDZDTPNO-MUUNZHRXSA-N 495.648 6.036 50 10 JKGE COCCOc1ccc(C=C(C#N)C(=O)Nc2nc(-c3ccc(Br)cc3)c(C)s2)cc1 2331123495 GYQBCKQYICSZPG-UHFFFAOYSA-N 498.402 5.452 50 10 JKGE COc1ccc(CC(O)=C(C#N)c2nc(-c3cccc(Br)c3)cs2)c(OC)c1 2331276536 LRTFNMMYGWYZBQ-UHFFFAOYSA-N 457.349 5.625 50 10 JKGE N#CC(=C(O)c1ccc2c(c1)C(=O)N(Cc1ccccc1)C2=O)c1nc(-c2ccccc2)cs1 2331301023 MRLSVWMTRRLEQL-UHFFFAOYSA-N 463.518 5.556 50 10 JKGE CCCc1ccc(OCC(O)=C(C#N)c2nc(-c3cc(Cl)cc(Cl)c3OC)cs2)cc1 2331362684 MDVAPMGFMFQHGH-UHFFFAOYSA-N 475.397 6.950 50 10 JKGE COc1c(C)cc(Cl)cc1-c1csc(C(C#N)=C(O)C(=Cc2ccccc2)c2ccccc2)n1 2331391764 BDZIUAMZMNFJSS-UHFFFAOYSA-N 485.008 7.814 50 10 JKGE COc1ccc(-c2csc(C(C#N)=C(O)C=Cc3ccc4c(c3)OCCO4)n2)c(OC)c1OC 2331412582 LOVXWNXQGBXIPE-UHFFFAOYSA-N 478.526 5.113 50 10 JKGE N#CC(=Cc1ccccc1OCc1ccccc1Cl)c1nc(-c2ccc(Cl)cc2Cl)cs1 2331425272 YFXNRKHUANFGRS-UHFFFAOYSA-N 497.834 8.413 50 10 JKGE CCCCCCOc1ccc(C=C(C#N)c2nc(-c3ccc(OC)c4ccccc34)cs2)cc1OC 2331489271 OHDBYUZPURKFSK-UHFFFAOYSA-N 498.648 8.004 50 10 JKGE Fc1cc(Br)c(F)c(Br)c1[C@@H](Br)[C@@H]1C[C@H]1C(F)(F)F 2334719335 PVAGFBCLGDBQSP-ZFSUVSKUSA-N 472.871 6.124 50 10 JKGE Fc1ccc(C[C@@H](Br)c2cc(Br)ccc2OCc2ccccc2)cc1F 2336047368 LJWOINZCXYMJGG-GOSISDBHSA-N 482.162 6.985 50 10 JKGE Clc1cccc(Cl)c1C[C@H](Cl)c1ccc(OCc2ccccc2)cc1Br 2336072969 QWIJUDDZNMLWJQ-NRFANRHFSA-N 470.621 7.858 50 10 JKGE CC(C)(CCCl)c1nnc(-c2cc(I)ccc2Br)s1 2337074810 SJCFUPBBYVHRPN-UHFFFAOYSA-N 471.589 5.479 50 10 JKGE Cc1cc(Br)c(F)c(Br)c1[C@H](Br)C(C)(C)C1CCC1 2339651104 MFBAWNKZEMJKOA-AWEZNQCLSA-N 457.019 6.921 50 10 JKGE BrC[C@H]1CCC2(CCC2)N1Cc1ccc(I)c(Br)c1 2349826685 AAEWRSNGKYFKAH-GFCCVEGCSA-N 499.028 5.336 50 10 JKGE C[C@@H]1CCC[C@@](CCl)(Cc2ccc(I)c(Br)c2)CC1 2349838036 AEWSMPOAJHSXIQ-WBMJQRKESA-N 455.605 6.422 50 10 JKGE Clc1ccc(I)cc1C[C@]1(CBr)CCC=CCCC1 2352417873 ORJTWBSUFGXKQW-INIZCTEOSA-N 453.589 6.389 50 10 JKGE CC(C)(C[C@H](Br)c1c(F)cc(Cl)c(Br)c1Cl)C(F)(F)F 2360480617 CCYYMGMCGPPRSW-YFKPBYRVSA-N 460.918 7.310 50 10 JKGE Brc1ccc(OCc2ccccc2)c([C@@H](Br)[C@H]2CC3(CCCCC3)CO2)c1 2361195616 QPWQLMHTOFOFJA-FGZHOGPDSA-N 494.267 7.204 50 10 JKGE Fc1cc(CBr)c(N2CCC3(CCN(Cc4ccccc4)C3)CC2)cc1Cl 2362391797 OMNJWLMCJACHIX-UHFFFAOYSA-N 451.811 5.867 50 10 JKGE Brc1cc(Br)cc(O[C@@H]2C[C@H](Br)[C@@]23CCCC32CC2)c1 2364103406 JDPUXALNSXWSQW-LZWOXQAQSA-N 465.023 6.077 50 10 JKGE Cl[C@@H]1c2ccccc2CC[C@H]1Cc1ccc(I)c(Br)c1 2377258820 XRRWIHITWHEMSF-GUYCJALGSA-N 461.568 6.139 50 10 JKGE Cc1c(Cl)cccc1NC(=O)c1ccc(OCC(=O)N/N=C/c2ccc(C(C)(C)C)cc2)cc1 1916247 ZYNGGNFWBRMECX-MUFRIFMGSA-N 477.992 5.727 50 10 JKGE CCOC(=O)/C(C#N)=C\c1cn(-c2ccccc2)nc1-c1ccc(OCc2ccc(F)cc2)cc1 33375098 MHOCYKRGIHSADO-JWGURIENSA-N 467.500 5.727 50 10 JKGE N#C/C(=C/c1ccc(-c2ccc(Cl)c([N+](=O)[O-])c2)o1)C(=O)Nc1ccc(Br)cc1 35240745 FRWCRVZITMYQPS-LCYFTJDESA-N 472.682 5.816 50 10 JKGE CCOc1cc(/C=C2/C(=O)N(Cc3ccccc3)C(=O)C(C#N)=C2C)ccc1OCc1ccc(F)cc1 38606016 QYQRUFBCAQJVFN-MFKUBSTISA-N 496.538 5.596 50 10 JKGE CSc1ccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4ccc(C(C)(C)C)cc4)ccc32)cc1 38682045 SFKTYPKTBMDGEE-RUZDIDTESA-N 470.594 6.143 50 10 JKGE CCCOc1cccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)COc4c(C)cccc4C)ccc32)c1 38684430 FGYBVXSUQXMMIB-HHHXNRCGSA-N 484.552 5.295 50 10 JKGE CCCCCOc1cccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4ccccc4[N+](=O)[O-])ccc32)c1 38684806 DNSOWNIGLCTYEY-AREMUKBSSA-N 499.523 5.601 50 10 JKGE CCCCCOc1ccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4ccc([N+](=O)[O-])cc4)ccc32)cc1 38685356 KXBANPVCTFMBGR-AREMUKBSSA-N 499.523 5.601 50 10 JKGE COc1ccc(Cl)cc1NC(=O)c1oc2c(c1C)/C(=N/NC(=O)c1ccc(C)cc1)CCC2 40804477 ZLPXMHIEXNQBTQ-MTDXEUNCSA-N 465.937 5.281 50 10 JKGE Cc1ccc(NC(=O)N/N=C/c2cc(Br)c(Sc3ccc(Cl)cc3)o2)cc1 59678379 GYLOFGBVMCSIEO-SSDVNMTOSA-N 464.772 6.311 50 10 JKGE Cc1ccc(-c2ccccc2)n1-c1ccc(C(=O)N/N=C/c2cn(CC#N)c3ccccc23)cc1 59680192 JGBPWTYQALSACW-ZCTHSVRISA-N 457.537 5.695 50 10 JKGE C[C@@H]1CCCC[C@H]1NC(=O)[C@@H](c1ccccc1Cl)N(Cc1ccccc1Cl)C(=O)CCl 97914344 JRFUEJYPTUPSIH-FQQGMQMYSA-N 481.851 5.997 50 10 JKGE CCOC(=O)c1ccsc1NC(=O)/C(C#N)=C\c1cccn1Cc1ccc(Cl)cc1Cl 98063473 UDYWJZNWSXOBDN-GDNBJRDFSA-N 474.369 5.627 50 10 JKGE N#C/C(=C/Nc1ccc(I)cc1)c1nc(-c2ccc([N+](=O)[O-])cc2)cs1 100477484 PJQOBVFYPANOGR-RAXLEYEMSA-N 474.283 5.299 50 10 JKGE CCCCN1C(=O)C(C#N)=C(C)/C(=C\c2cn(-c3ccccc3)nc2-c2ccc(F)cc2)C1=O 101332976 JJQYQKQVKRFICR-HZHRSRAPSA-N 454.505 5.071 50 10 JKGE Fc1cc(Br)cc([C@H](Br)c2cc3c(cc2Br)OCCO3)c1 109865431 NNRHMRUNJBBMMR-HNNXBMFYSA-N 480.953 5.606 50 10 JKGE Brc1cccc(C[C@@H](Br)c2cc3c(cc2Br)OCCO3)c1 109865566 WIOWWECJMYYZMJ-CYBMUJFWSA-N 476.990 5.662 50 10 JKGE Fc1cccc(C[C@@H](Br)c2cc(Br)ccc2Br)c1F 122223181 WZYAYANRHGEFOG-GFCCVEGCSA-N 454.934 6.169 50 10 JKGE Fc1ccc([C@H](Br)c2cc(Cl)c(Br)s2)cc1C(F)(F)F 128144711 ZRECXLGGJFBEAS-JTQLQIEISA-N 452.492 6.806 50 10 JKGE Cc1cc(Br)c([C@@H](Br)c2cc3sccc3s2)cc1Br 128755176 OTGGVYGOIRIPBW-CQSZACIVSA-N 481.072 7.281 50 10 JKGE Cc1cc(Br)c([C@@H](Br)C2(c3ccccc3)CC2)cc1Br 128822577 AAYCREPAFBYJHU-MRXNPFEDSA-N 459.019 6.688 50 10 JKGE Cc1ccc([C@@H](Cl)c2cc(Br)ccc2Br)c(Br)c1 163900883 GGAXNUXXJGTQTH-CQSZACIVSA-N 453.399 6.611 50 10 JKGE Cc1ccc([C@H](Br)c2cc(F)c(Br)cc2F)c(Br)c1 163917528 CKIDOFIUVSVIGV-AWEZNQCLSA-N 454.934 6.283 50 10 JKGE Clc1cc([C@H](Br)c2ccc(Br)cc2)ccc1I 232342587 CVAXMWRKHLQDAG-CYBMUJFWSA-N 486.372 6.191 50 10 JKGE Cc1cc([C@H](Br)c2ccc(I)c(Cl)c2)c(Cl)cc1F 232344805 AFYVVQFKXGKJKE-CQSZACIVSA-N 473.938 6.530 50 10 JKGE Cc1cc(Cl)c([C@@H](Br)c2ccc(I)c(Cl)c2)cc1C 232345037 ZOTADYQIKRKBCB-HNNXBMFYSA-N 469.975 6.699 50 10 JKGE Fc1cccc(F)c1C[C@H](Br)c1ccc(I)c(Cl)c1 232386414 MKDYVRBLNHUWON-JTQLQIEISA-N 457.483 5.902 50 10 JKGE COc1ccc(OC)c([C@@H](Cl)c2cc(Br)ccc2I)c1 234966700 FHHQXKFVXSPILK-HNNXBMFYSA-N 467.528 5.399 50 10 JKGE C[C@@H](c1ccccn1)[C@@H](Br)c1cc(I)ccc1Br 235550046 HYMFDODRNBKYRL-LKFCYVNXSA-N 480.969 5.688 50 10 JKGE Cl[C@@H](Cc1ccc(Br)cc1)c1ccc(Br)cc1Br 236018206 FBDLANURTQFBQL-AWEZNQCLSA-N 453.399 6.497 50 10 JKGE Fc1cc(Br)c(Cl)cc1[C@@H](Cl)c1cc(Br)cc(Br)c1 236227859 HBFFCQXGBWVEKO-ZDUSSCGKSA-N 491.807 7.095 50 10 JKGE CCCOc1cccc(-c2cc(C(=O)NN=Cc3ccc(OCC)c(OC)c3)c3ccccc3n2)c1 252617206 KOMZHYJKGBVEPF-UHFFFAOYSA-N 483.568 5.862 50 10 JKGE Cc1ccc(COc2ccc(C(=O)NN=Cc3ccccc3OCc3ccccc3)cc2)cc1 254380602 HENCEYKFAGFFKE-UHFFFAOYSA-N 450.538 5.917 50 10 JKGE Cc1cc(SCC(=O)NN=Cc2ccc(Br)cc2)c(C)cc1Br 254510179 YBKFFPKPCZKORC-UHFFFAOYSA-N 456.203 5.071 50 10 JKGE Cc1cccc(-c2nn(-c3ccccc3)cc2C=NNC(=O)COc2ccc3ccccc3c2)c1 254515871 AZNTTXGPPMTRHK-UHFFFAOYSA-N 460.537 5.530 50 10 JKGE COc1ccc(-n2c(SCC(=O)NN=Cc3ccc(C(C)C)cc3)nnc2-c2ccc(C)cc2)cc1 254758459 ICHCLTHEDHRAEW-UHFFFAOYSA-N 499.640 5.617 50 10 JKGE CCOC(=O)c1c(NC(=O)NN=Cc2cccc(OCc3ccccc3)c2)sc2c1CCCC2 256017417 LSRCRMKJFOBMRG-UHFFFAOYSA-N 477.586 5.538 50 10 JKGE C[C@@H](CCCl)CCOc1c(I)cc(Cl)cc1I 310403526 JWFDYLBCJUBCOD-QMMMGPOBSA-N 498.957 5.583 50 10 JKGE C[C@H](Cl)c1nc2cc(F)c(Br)cc2n1[C@@H]1CCCN(Cc2ccccc2)C1 312178887 DUNQUHPANOYGQJ-GOEBONIOSA-N 450.783 6.075 50 10 JKGE FC1(F)CCCC[C@H]1[C@H](Br)c1cc(Br)c(Br)s1 392911169 FJFIKKMKKLRWBC-RCOVLWMOSA-N 452.984 6.535 50 10 JKGE Fc1cc([C@@H](Br)c2ccccc2OCc2ccccc2)c(F)cc1Br 394054593 BVYNNGILSWJAPL-FQEVSTJZSA-N 468.135 6.791 50 10 JKGE CC(C)(C)[Si](C)(C)OCCc1ccc([C@@H]2CCOCCN2CCO[Si](C)(C)C(C)(C)C)cc1 616657229 SQFIEEKWWMQCIY-VWLOTQADSA-N 493.881 7.036 50 10 JKGE Brc1cc([C@@H](Br)c2cc3cscc3s2)c(Br)s1 703678286 OFUIBVQOHOJPDU-SNVBAGLBSA-N 473.074 7.034 50 10 JKGE Cc1cc(F)c([C@@H](Cl)c2ccc(I)c(Br)c2)cc1Cl 721603510 MKJYKPLCRRTYRS-AWEZNQCLSA-N 473.938 6.483 50 10 JKGE Cc1cccc(C)c1NC(=O)C(=O)NN=Cc1ccc(OCc2ccc(Cl)cc2Cl)cc1 1084072923 SDKXVWDDKOHQTQ-UHFFFAOYSA-N 470.356 5.278 50 10 JKGE N#C/C(=C\c1cccc(OCc2cccc(Cl)c2)c1)C(=O)Nc1ccc(Cl)c(Cl)c1 1084261883 KVLBODXEDDQDAS-RQZCQDPDSA-N 457.744 6.771 50 10 JKGE Cc1ccc(-n2nc(C)c(C=NNC(=O)COc3ccc(C4CCCCC4)cc3)c2C)c(C)c1 1084352404 ZQKAONBTVGAXCI-UHFFFAOYSA-N 458.606 5.683 50 10 JKGE Cc1cc(C=NNC(=O)CSCc2ccccc2Cl)c(C)n1-c1ccc(Cl)cc1Cl 1084572293 VTWRGWJZLIBGIS-UHFFFAOYSA-N 480.848 6.438 50 10 JKGE Cc1ccc2cccc(OC(=O)c3oc4c(c3C)C(=NNC(=O)c3ccc(F)cc3)CCC4)c2n1 1772744633 GDZJMKQDLLZKKB-UHFFFAOYSA-N 471.488 5.273 50 10 JKGE CCc1nn(-c2ccc(Cl)c(Cl)c2)c2c1[C@@H](c1ccc(N(C)C)cc1)C(C#N)=C(N)O2 1865683926 QKKKHMAAZCUQRR-FQEVSTJZSA-N 454.361 5.026 50 10 JKGE COc1ccc2ccccc2c1[C@@H]1C(C#N)=C(N)Oc2c1c(C)nn2Cc1cc(C)ccc1C 1865687962 FDCIGNZJHNFZCV-AREMUKBSSA-N 450.542 5.237 50 10 JKGE CCCOc1c(OC)cccc1[C@@H]1C(C#N)=C(N)Oc2c1c(C(F)(F)F)nn2Cc1ccc(C)cc1 1865693249 MOFDJEIIWSFUDE-HXUWFJFHSA-N 498.505 5.274 50 10 JKGE CCCOc1cccc([C@H]2C(C#N)=C(N)Oc3c2c(C(F)(F)F)nn3-c2ccccc2Cl)c1 1865694598 XPSPFEQOGJPXQK-SFHVURJKSA-N 474.870 5.551 50 10 JKGE CCc1nn(Cc2ccc(Cl)cc2)c2c1[C@H](c1ccc(OC(C)C)c(OC)c1)C(C#N)=C(N)O2 1865696903 LGWDFFVWYCGEJA-HSZRJFAPSA-N 478.980 5.161 50 10 JKGE COc1ccc(-c2nn(-c3ccc(Cl)cc3)c3c2[C@H](c2ccccc2[N+](=O)[O-])C(C#N)=C(N)O3)cc1 1865710164 PZTRPFUNNYUTSJ-JOCHJYFZSA-N 499.914 5.328 50 10 JKGE CC[C@](C)(NC(=O)C[C@H](c1ccc(Cl)cc1)C(C)C)C(=O)Nc1ccc(SC#N)cc1 1866756230 POOICHLTUCJGBG-URXFXBBRSA-N 458.027 5.966 50 10 JKGE Cc1nc(C2CCN(c3cc(Nc4ccc(SC#N)cc4)nc(C(C)C)n3)CC2)sc1C 1868231996 ZJZHTSMNXYPEIO-UHFFFAOYSA-N 464.664 6.374 50 10 JKGE N#CSc1ccc(Nc2cc(N3CCO[C@H](c4ccncc4)C3)nc(-c3ccc(F)cc3)n2)cc1 1868456514 QOYUZSOSEHEDHM-QHCPKHFHSA-N 484.560 5.572 50 10 JKGE COc1ccc(/C=C(\C#N)c2cc3c(cc2[N+](=O)[O-])OCCO3)cc1OCc1ccc(C)cc1 1872728523 GWDVPGKJDUGZDV-RGVLZGJSSA-N 458.470 5.326 50 10 JKGE CCCCCCCOc1ccc(-c2csc(/C(C#N)=C/c3cc(Br)ccc3O)n2)cc1 1872791182 AHHIHMLUBNAHEM-XSFVSMFZSA-N 497.458 7.692 50 10 JKGE COc1ccc(OC)c(-c2csc(/C(C#N)=C(\O)COc3cc(Cl)ccc3Cl)n2)c1 1873921277 ZROIEGBOEFUGQP-SDXDJHTJSA-N 463.342 6.006 50 10 JKGE CCCCc1ccc(N2C[C@H](/C(O)=C(\C#N)c3nc(-c4cccc([N+](=O)[O-])c4)cs3)CC2=O)cc1 1873940698 CYXZAIQWZRULQY-IPQBESIJSA-N 488.569 5.907 50 10 JKGE O=C(N[C@@H](CBr)[C@@H]1CC=CCC1)c1scc(Br)c1Br 1885116484 WTRCHHMDJXZPFE-SCZZXKLOSA-N 472.040 5.123 50 10 JKGE FC(F)(CBr)[C@H]1CCN(Cc2cccc(Br)c2Br)C1 1892732191 HHDYYUFLTXGBNC-JTQLQIEISA-N 461.970 5.064 50 10 JKGE CN(Cc1ccc(Cl)cc1I)C[C@@H](Cl)COCc1ccccc1 1901959365 GKQYFFACSRLQRN-QGZVFWFLSA-N 464.174 5.201 50 10 JKGE Brc1sc(Br)c([C@H](Br)CC2COC2)c1Br 1909748958 BROJPTNDDBZGKC-RXMQYKEDSA-N 483.845 5.508 50 10 JKGE Cc1cc(Br)c([C@@H](Br)C2CC3(CCCO3)C2)cc1Br 1912568852 UIBZRUFSQUOQJS-CUMGRINNSA-N 453.012 5.915 50 10 JKGE Cc1cc(Br)cc(C(=O)N(Cc2ccccc2)[C@H](CBr)C(C)C)c1 1915297231 DSBRXTSDCLILHJ-LJQANCHMSA-N 453.218 5.819 50 10 JKGE CN(Cc1ccc(Cl)cc1Br)C[C@H](Br)COCc1ccccc1 1916333067 OGYBLGAAVWPEEF-INIZCTEOSA-N 461.625 5.515 50 10 JKGE Clc1cc([C@H](Br)c2sc(Br)cc2Br)cs1 1922892526 SBPCGLDPMWRYMY-QMMMGPOBSA-N 451.430 6.472 50 10 JKGE Cc1c(Br)sc([C@H](Br)C2(CC(C)C)CCCC2)c1Br 1922902904 UQOPEFWYVZIZTQ-ZDUSSCGKSA-N 473.112 7.624 50 10 JKGE Brc1sc(Br)c([C@H](Br)c2ccccc2)c1Br 1924575443 AFPZQNNEDKXPAF-MRVPVSSYSA-N 489.852 6.520 50 10 JKGE CCCC[C@@H](C)[C@H](Br)c1c(Br)sc(Br)c1Br 1924580669 UGTTUQVOHPKIMF-SVRRBLITSA-N 497.916 7.298 50 10 JKGE Cl[C@H](C[C@@H]1CCOC1)c1c(Br)sc(Br)c1Br 1924605820 XNSKMTBHRSZVCS-NTSWFWBYSA-N 453.421 5.742 50 10 JKGE FC1(F)[C@H]2C[C@@H]([C@H](Cl)c3c(Br)sc(Br)c3Br)CC[C@H]21 1924616597 QUAZRMIGKQJHIO-LHKPINMVSA-N 499.440 6.997 50 10 JKGE Clc1cc([C@H](Br)Cc2ncccc2Br)ccc1Br 1924859841 BNHYECWQJFMKOZ-LLVKDONJSA-N 454.387 5.939 50 10 JKGE Brc1ccc([C@H](Br)Cc2ccccc2I)s1 1935654161 SXJUEUZIMSOXIP-SECBINFHSA-N 471.983 5.794 50 10 JKGE Cc1cc(Br)c([C@H](Cl)c2cccc(Br)c2Br)s1 1943904584 ZBQARJDPPKQBCT-LLVKDONJSA-N 459.428 6.672 50 10 JKGE FCCC1([C@@H](Cl)c2c(Br)sc(Br)c2Br)CC1 1990545982 SFDNXQNFPYBHPC-ZETCQYMHSA-N 455.412 6.455 50 10 JKGE CN(Cc1ccc(Cl)c(Br)c1F)C[C@@H](Br)COCc1ccccc1 2001883414 NBEMGADKAIKFNE-OAHLLOKOSA-N 479.615 5.654 50 10 JKGE CCCc1ccc([C@H](Cl)c2cc(Br)ccc2I)s1 2027134806 CFBUPNYLEIHLHT-CQSZACIVSA-N 455.586 6.396 50 10 JKGE COc1cc(Br)c(C)cc1[C@@H](Br)c1ccsc1Br 2029251041 FSLFEMZNWQNGDO-LBPRGKRZSA-N 455.009 6.074 50 10 JKGE CC[C@H](C)N(Cc1ccccc1)S(=O)(=O)c1cc(CBr)cc(Br)c1C 2059286350 KSRLUMVLYJOYMV-AWEZNQCLSA-N 489.273 5.642 50 10 JKGE CC1(C)[C@H]2CC[C@@H](C2)[C@H]1[C@@H](Br)c1cc(Br)ccc1Br 2090089332 WNRRHXFNMNTJJH-CHPZLBCBSA-N 451.040 6.720 50 10 JKGE O=C(c1cc(Br)c(Br)s1)N1[C@H]2CC[C@@H]1C[C@H](CBr)C2 2128154180 KSVZKZFLTTZERZ-AYMMMOKOSA-N 472.040 5.051 50 10 JKGE CO[C@@H]1CC[C@@H]1CCOc1c(Br)cc(Br)cc1CBr 2130343076 AYNMMWWWASMJEA-NOZJJQNGSA-N 457.000 5.300 50 10 JKGE C[C@@]1([C@H](Br)c2cc(Br)ccc2Br)CCCC(F)(F)C1 2132139782 CLONDEDAZLYBLP-CHWSQXEVSA-N 460.982 6.863 50 10 JKGE Fc1ccccc1C(CBr)(CBr)Cc1csc(Br)c1 2139780807 RARXBICQNJCLKS-UHFFFAOYSA-N 471.027 5.920 50 10 JKGE FC1(F)CO[C@@H](CC(CBr)(CBr)c2cccc(Br)c2)C1 2144786816 CDLUSIUPKSUUJV-LBPRGKRZSA-N 476.981 5.291 50 10 JKGE C[C@@H](Br)C[C@@H]1CCCCCN1Cc1cccc(Br)c1Br 2148760273 KVTKHRVNZLXVHY-OCCSQVGLSA-N 468.071 6.130 50 10 JKGE O=C(NC[C@@H]1CCC[C@@H](CBr)C1)c1cccc(Br)c1Br 2148772514 YSXPKUIYZYHKMJ-GHMZBOCLSA-N 468.027 5.143 50 10 JKGE Clc1ccccc1C[C@@H](CBr)Cc1c(Br)cccc1Br 2150496031 QBNSYCOVJJFRIS-LLVKDONJSA-N 481.453 6.661 50 10 JKGE Cc1cc(Br)c(F)c([C@@H](Br)c2cc(C3CC3)c(Br)s2)c1 2151035653 CMRIQZNGEGSZTO-CYBMUJFWSA-N 483.038 7.082 50 10 JKGE CC[C@](C)(Cn1c([C@@H](C)Cl)nc2cc(I)ccc21)N(C)Cc1ccccc1 2155091030 FLNKNPXKJJOIKQ-OPAMFIHVSA-N 495.836 6.241 50 10 JKGE CCCOc1ccc([C@@H](Br)c2cc(Cl)c(Cl)s2)cc1Br 2156048643 BDKFFMKBZQYBHL-CYBMUJFWSA-N 459.030 7.091 50 10 JKGE COc1cccc(OCc2cccc(Br)c2Br)c1CBr 2160700640 FQUBUOAJHDITKH-UHFFFAOYSA-N 464.979 5.694 50 10 JKGE Cc1c(Br)sc([C@H](Br)[C@@H]2C[C@H]3CCCCCC[C@H]32)c1Br 2166120401 SVFLUXJLGWLYKJ-HKUMRIAESA-N 485.123 7.624 50 10 JKGE COc1cc(C)c([C@H](Br)c2ccc(Br)cc2C)cc1Br 2198737774 SNJSAYGCGDISDB-MRXNPFEDSA-N 463.007 6.321 50 10 JKGE CC(F)(F)CCCCC(CBr)(CBr)c1ccccc1Br 2201514236 VCKJBUTZNOFPRT-UHFFFAOYSA-N 477.025 6.692 50 10 JKGE Clc1cc(Br)c([C@@H](Br)c2ccoc2Br)c(Cl)c1Cl 2217618449 PFVBUBQSBWPIES-QMMMGPOBSA-N 498.223 7.249 50 10 JKGE Cc1nn(C)c([C@H](Cl)c2c(Br)sc(Br)c2Br)c1Cl 2224019494 SRLUDPFPDFCPLI-SSDOTTSWSA-N 497.865 6.059 50 10 JKGE Cc1cc(Br)c([C@@H](Br)c2cccc(Br)c2)c(C)c1Cl 2224316083 AHNSJTIUTOEJPK-AWEZNQCLSA-N 467.426 6.966 50 10 JKGE Fc1cc(Br)c(Br)cc1[C@@H](Br)[C@@H]1CC2CCC1CC2 2225615590 JFHYDHBKJNLRCM-LFKITRISSA-N 455.003 6.613 50 10 JKGE Fc1cc(Br)c(Br)cc1[C@@H](Br)C1C[C@H]2CC[C@H](C1)C2 2225618161 UZTXEYGYSZTDRS-UTEYVOQOSA-N 455.003 6.613 50 10 JKGE CCCCCCCCCO[C@H](CI)c1ccc(Br)cc1 2239551664 IMFSMSUTNZIJMH-QGZVFWFLSA-N 453.202 6.692 50 10 JKGE Brc1cc([C@@H](Br)C[C@@H]2CCCCC23CC3)c(Br)s1 2253876371 WNSDRJUOGVNTBK-ONGXEEELSA-N 457.069 7.070 50 10 JKGE Fc1cc(Br)c(F)c(Br)c1[C@H](Cl)c1coc(Br)c1 2260070967 NDXKTDOTYKOSFQ-SNVBAGLBSA-N 465.313 6.174 50 10 JKGE Fc1cc(Br)c(F)c(Br)c1[C@H](Br)[C@@H]1[C@H]2CCCC[C@H]21 2272841734 NMLLHZZRARQZOB-PBAAAUGASA-N 458.966 6.362 50 10 JKGE C[C@H]1C[C@H]([C@H](Br)Cc2cc(Br)cc(Br)c2)C[C@@H](C)O1 2277962941 NYMTWPPIQPUKIP-KVQFHVITSA-N 455.028 5.721 50 10 JKGE Fc1cc(Br)c([C@H](Cl)c2ccc(Cl)c(I)c2)c(F)c1F 2283583200 UGPKXDIEJZEODM-LLVKDONJSA-N 495.891 6.453 50 10 JKGE Cc1cc(Br)c([C@@H](Cl)c2cc(Br)c(F)cc2C)cc1Br 2285940457 YWCDJWHRZSTQSK-HNNXBMFYSA-N 485.416 7.058 50 10 JKGE C[C@@]1([C@H](Br)c2c(F)cc(Br)c(F)c2Br)CCCC1(F)F 2288482405 FIDDOTUWYXHZLZ-NEPJUHHUSA-N 482.935 6.751 50 10 JKGE Fc1cc(Br)c(F)c(Br)c1[C@H](Cl)c1cc(Cl)ccc1Cl 2288497806 YHFRTELNHJBWIG-GFCCVEGCSA-N 465.346 7.125 50 10 JKGE N#CC(=CNc1cc(Cl)ccc1Cl)c1nc(-c2cc3cc([N+](=O)[O-])ccc3oc2=O)cs1 2295891402 SDZMJHOHKUJYSH-UHFFFAOYSA-N 485.308 6.108 50 10 JKGE Brc1cc(OCc2ccccc2)ccc1[C@H](Br)[C@H]1C[C@@H]1C1CCC1 2299491041 BIIVAQMEUOWKMY-DYXWJJEUSA-N 450.214 6.900 50 10 JKGE Clc1cc([C@H](Cl)c2cc(Br)ccc2OCc2ccccc2)sc1Cl 2299506495 BCVYNXJSMFNPEQ-QGZVFWFLSA-N 462.623 7.725 50 10 JKGE COc1cc(C=C(C#N)C(=O)Nc2ccc(C)cc2)cc(Cl)c1OCc1ccc2c(c1)OCO2 2313567804 LEKSZRRGMANCNX-UHFFFAOYSA-N 476.916 5.510 50 10 JKGE N#CC(=Cc1ccc(OCc2cccc(Cl)c2)cc1)C(=O)Nc1cc([N+](=O)[O-])ccc1Cl 2313681247 XVWPWJXXMPSJAM-UHFFFAOYSA-N 468.296 6.026 50 10 JKGE COc1cccc2cc(-c3nn(-c4ccccc4)cc3C=C(C#N)S(=O)(=O)c3ccccc3)oc12 2314450520 ARXMIVSRJCCDLF-UHFFFAOYSA-N 481.533 5.632 50 10 JKGE CCOC(=O)c1c(NC(=O)C(C#N)=Cc2ccc(-c3cccc(F)c3)o2)sc2c1CC[C@@H](C)C2 2314571969 PPASEOGMQLNHPY-OAHLLOKOSA-N 478.545 5.994 50 10 JKGE CCOc1ccccc1[C@H]1C(C#N)=C(N)Oc2cc(OC(=O)C=Cc3ccccc3Cl)ccc21 2314634111 NMRVFACMYUZGTC-AREMUKBSSA-N 472.928 5.576 50 10 JKGE CCC(C)(C)c1ccc(OCCCC(=O)Oc2ccc(C=C(C#N)C(=O)NC(C)C)cc2OC)cc1 2314808156 GQYIBGZCEXMTDV-UHFFFAOYSA-N 492.616 5.579 50 10 JKGE CC1(C)CC[C@H]1[C@H](Br)c1c(Cl)cc(Br)c(F)c1Br 2315447092 JVSYBOPUXYAVSU-WKEGUHRASA-N 463.410 6.876 50 10 JKGE FC(F)(F)c1ccc([C@@H](Br)c2sc(Cl)cc2I)s1 2316601232 QERKZESBYCFSMD-MRVPVSSYSA-N 487.531 6.571 50 10 JKGE COc1cc(C=C(C#N)c2ccccc2OC)ccc1OC(=O)[C@@H](C)Oc1ccc(Cl)cc1Cl 2320506472 KIGRZOPDZVIHGE-MRXNPFEDSA-N 498.362 6.448 50 10 JKGE C[C@H](Oc1ccc(Cl)cc1Cl)C(=O)Oc1ccc(C=C(C#N)c2ccccc2F)cc1 2320506909 UODWYTIRGPYXGS-HNNXBMFYSA-N 456.300 6.570 50 10 JKGE CSCC[C@H](C(O)=C(C#N)c1nc(-c2ccc(F)cc2F)cs1)N1C(=O)c2ccccc2C1=O 2331293118 SVEINKWRMMBUOB-HXUWFJFHSA-N 497.548 5.299 50 10 JKGE COc1ccc(-c2csc(C(C#N)=C(O)[C@@H](C)Oc3ccc(Cl)cc3Cl)n2)cc1F 2331337647 OQDJZIXHKNTVDT-LLVKDONJSA-N 465.333 6.525 50 10 JKGE COc1ccc(-c2csc(C(C#N)=Cc3ccc(OCCc4ccccc4)c(OC)c3)n2)cc1F 2331454014 LIMDNUPVNBUHSK-UHFFFAOYSA-N 486.568 6.652 50 10 JKGE COc1ccc([C@H](Cl)c2cc(Br)ccc2OCc2ccccc2)cc1Cl 2336039306 VTJFWBVGBFPWLJ-NRFANRHFSA-N 452.175 7.018 50 10 JKGE Brc1ccc(OCc2ccccc2)c([C@H](Br)[C@@]23CCCC[C@H]2CCC3)c1 2336052127 YDFDTOZDKRJGGU-OFAXGOBFSA-N 478.268 7.825 50 10 JKGE Fc1c(Br)cc(Cl)c([C@@H](Br)C2CC(C(F)F)C2)c1Br 2337088899 RQDWMBMUQWVBEU-UDSLYJHRSA-N 485.363 6.731 50 10 JKGE CCCC[C@H](CC)[C@H](Br)c1c(C)cc(Br)c(F)c1Br 2339645582 JGQXZNPQUIYHMN-GWCFXTLKSA-N 459.035 7.312 50 10 JKGE CC(C)[C@H](Br)C(C)(C)NC(=O)c1cc(Br)cc(Br)c1 2340404685 BYRSVEBRZYAFOF-LBPRGKRZSA-N 456.016 5.140 50 10 JKGE Fc1cc([C@@H](Cl)c2c(Br)sc(Br)c2Cl)c(Cl)cc1Cl 2351643781 ZBJUAZCHNSLWSO-MRVPVSSYSA-N 487.830 7.701 50 10 JKGE C[C@H](Br)C[C@@H]1CCCCN1Cc1cc(I)ccc1Cl 2352417672 MFHDYPXUWQVCQS-FZMZJTMJSA-N 456.593 5.473 50 10 JKGE BrCC(CBr)(C[C@@H]1C[C@@H]2CC[C@H]1O2)c1cccc(Br)c1 2355003811 FBGRLMVBMGPTAG-TUKIKUTGSA-N 467.039 5.434 50 10 JKGE Cc1cc(Br)c([C@@H](Br)[C@@H]2CC[C@@H]3C[C@H]2CO3)c(C)c1Br 2359124540 RYQRKHWWAJFUJX-LGSVPQMISA-N 467.039 6.080 50 10 JKGE FC1(F)C[C@]12CCC[C@H]([C@@H](Cl)c1ccc(OCc3ccccc3)cc1Br)C2 2361196045 UQKUDJWTLVSYIF-ZLGUVYLKSA-N 455.770 7.524 50 10 JKGE C[C@@]12CN(Cc3ccccc3)C[C@@]1(C)CN(c1cc(Cl)c(F)cc1CBr)C2 2362384962 FJCAVKDQKMZRLH-VXKWHMMOSA-N 451.811 5.722 50 10 JKGE CN(Cc1cccc(I)c1)c1cc(Cl)c(F)cc1CBr 2362385866 NAYNDMQSDLUIJI-UHFFFAOYSA-N 468.535 5.615 50 10 JKGE Cc1ccc([C@H](Br)c2c(C)cc(Br)c(F)c2Br)cc1F 2365180079 QYVVLBGEHXNCPA-ZDUSSCGKSA-N 468.961 6.591 50 10 JKGE Cc1cc(Br)c(F)c(Br)c1[C@H](Br)[C@H]1C[C@@H]2O[C@H]1[C@H]1C[C@@H]21 2365189780 YLCRNZLSSFWZDG-IZPBPJQQSA-N 468.986 5.519 50 10 JKGE Cc1cc(Br)c(F)c(Br)c1[C@H](Br)[C@H]1CCCC(C)(C)O1 2365194588 SHBBWYXQXRMDMF-ZYHUDNBSSA-N 473.018 6.443 50 10 JKGE Cc1cc(Br)c(F)c(Br)c1[C@H](Br)c1cccc(F)c1Cl 2365215962 PKXOFXGYWKVCAD-LLVKDONJSA-N 489.379 6.936 50 10 JKGE Cc1cc(Br)c(F)c(Br)c1[C@H](Br)[C@@H]1CC12CCOCC2 2365218546 LVNFJYUFJCBSOL-JOYOIKCWSA-N 471.002 5.912 50 10 JKGE COc1cc(Br)c([C@@H](Br)c2csc(C)c2Br)cc1OC 2369593167 CVTHBYYUYWHFEY-CQSZACIVSA-N 485.035 6.083 50 10 JKGE CCOc1cc(C=NNC(=O)c2ccc(Cl)cc2)ccc1OC(=O)c1ccccc1Cl 10059637 IQGIBIZOUXLNJJ-UHFFFAOYSA-N 457.313 5.375 50 10 JKGE N#C/C(=C/c1cn(-c2ccccc2)nc1-c1cccc2ccccc12)c1nc2ccccc2s1 35519270 RNVOBHQUNZBEOH-FXBPSFAMSA-N 454.558 7.366 50 10 JKGE CCOc1cc(/C=C2/C(=O)N(Cc3ccccc3)C(=O)C(C#N)=C2C)ccc1OCCC(C)C 38605986 PLRIYGCJZOFFTO-HZHRSRAPSA-N 458.558 5.303 50 10 JKGE CC(C)c1ccc(OCC(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@H]3c2ccc(C(C)(C)C)cc2)cc1 38649857 RWBRIQKZSDHPIY-LJAQVGFWSA-N 496.607 6.310 50 10 JKGE Cc1ccc2c(C)c(C(=O)Oc3ccc4c(c3)OC(N)=C(C#N)[C@@H]4c3ccc(C(C)(C)C)cc3)oc2c1 38687154 LEIRPTRTYRVHTQ-HHHXNRCGSA-N 492.575 6.785 50 10 JKGE O=C(CCCc1c(-c2ccccn2)[nH]c2ccc(Cl)cc12)NNC(=O)c1cccc(Cl)c1 39852759 NZQMOEQXJPJIML-UHFFFAOYSA-N 467.356 5.321 50 10 JKGE Cc1ccc(COc2ccc(/C=N/NC(=O)COc3c(C)cc(Br)cc3C)cc2)cc1 40888792 WSHXSRJNJVNWLF-MZJWZYIUSA-N 481.390 5.482 50 10 JKGE CCCOc1ccccc1/C=C(\C#N)C(=O)Nc1sc(C)c(-c2ccccc2)c1C(=O)OCC 40948998 KIDAVJSHYWVLBF-LTGZKZEYSA-N 474.582 6.235 50 10 JKGE CCc1ccc(OCCCC(=O)N/N=C/c2ccc(OC(C)C)c(OC)c2)c(Br)c1 40959429 MRSJZLOVAIVQBV-MFKUBSTISA-N 477.399 5.117 50 10 JKGE CCOc1cc(/C=C(/C#N)C(=O)Nc2ccccc2Cl)cc(I)c1OCC 59483568 MBDGYBMLKRQOIO-ZROIWOOFSA-N 496.732 5.288 50 10 JKGE CCCCCCCCCCCCCCCC[C@@H](O)c1nc2ccccc2c(=O)n1C(=O)CCl 60001207 VCULAUGMOYFXLV-XMMPIXPASA-N 477.089 7.180 50 10 JKGE CCCOc1ccc([C@@H](C(=O)NC2CCC(C)CC2)N(Cc2ccco2)C(=O)CCl)cc1OC 97914799 DCBAYAAOXOQPQK-WNEJPSKBSA-N 491.028 5.081 50 10 JKGE COc1cc(/C=C(\C#N)c2nc(-c3ccc(Br)cc3)cs2)ccc1OC(C)=O 102461818 XOHKZQHVAODBET-CXUHLZMHSA-N 455.333 5.571 50 10 JKGE Fc1cccc(Cl)c1[C@H](Br)c1cc(Br)sc1Br 104032448 VELYXBOLKBDMSH-SNVBAGLBSA-N 463.391 6.550 50 10 JKGE Fc1cccc([C@H](Br)c2cc(Br)sc2Br)c1Cl 165441766 VEEQRXQPCOAUMF-VIFPVBQESA-N 463.391 6.550 50 10 JKGE CC(C)[Si](OC[C@@H]1OC=C[C@@H](O[Si](C(C)C)(C(C)C)C(C)C)[C@@H]1O)(C(C)C)C(C)C 195785959 YDOYFAHLHUEGEN-SGNDLWITSA-N 458.832 7.013 50 10 JKGE C=CCOc1ccc(-c2nn(-c3ccccc3)cc2/C=C2\C(=O)N(CC=C)C(=O)C(C#N)=C2C)cc1C 214352096 ZUXMYUFQLALKNE-UQQQWYQISA-N 490.563 5.191 50 10 JKGE COc1ccc(Oc2cc(Br)ccc2CBr)c(Br)c1 218375848 XAGWYKBIACOMJK-UHFFFAOYSA-N 450.952 5.907 50 10 JKGE COCCc1ccc([C@H](Br)c2cc(Br)sc2Br)cc1 234701716 RGDJBRBIPVMCHG-ZDUSSCGKSA-N 469.036 5.946 50 10 JKGE O=C(NN=Cc1ccc(N2N=C(c3ccccc3)C[C@H]2c2ccccc2)cc1)c1ccccc1O 252596570 CKQCZHLUQPRLIP-MHZLTWQESA-N 460.537 5.512 50 10 JKGE CC(C)c1ccc(-c2cc(C(=O)NN=C(c3ccccc3)c3cccs3)c3ccccc3n2)cc1 254828625 QUNNBEGSMKJGPV-UHFFFAOYSA-N 475.617 7.269 50 10 JKGE CC(C)(c1ccccc1)c1ccc(OCC(=O)NN=Cc2ccc(Br)cc2)cc1 256017210 LDTKJPDTJFBABL-UHFFFAOYSA-N 451.364 5.304 50 10 JKGE Cl[C@H](Cc1cccc(Br)c1)c1cc(I)cc2c1OCC2 380013045 RUKWKQUCUMEZKY-OAHLLOKOSA-N 463.540 5.511 50 10 JKGE CO[C@@H]1CCCC[C@H]1Oc1c(Br)cc(Br)cc1CBr 382204178 GXYBLIASYIJTQV-CHWSQXEVSA-N 457.000 5.443 50 10 JKGE CC(C)(C)OC(=O)Nc1cccc([C@@H]2CCc3ccccc3N2CCO[Si](C)(C)C(C)(C)C)c1 616592944 JLKDYDBQPZSCIG-VWLOTQADSA-N 482.741 7.549 50 10 JKGE CC(C)(C)OC(=O)NCCN1CCOC[C@@H]1c1cccc(CO[Si](C)(C)C(C)(C)C)c1 616640469 ZYSXGDYPHXUZSE-OAQYLSRUSA-N 450.696 5.106 50 10 JKGE CC(C)(C)[Si](C)(C)OCCN1CCOC[C@H](c2ccccc2CO[Si](C)(C)C(C)(C)C)C1 616662496 BWAGWIXMOXRTQJ-HSZRJFAPSA-N 479.854 6.646 50 10 JKGE Fc1cc(Cl)cc([C@H](Br)c2cc(Br)c(Br)s2)c1F 691182435 IFUFRLYBPCVYCQ-VIFPVBQESA-N 481.381 6.689 50 10 JKGE ClCc1nc2cccc(Br)c2n1CCCN(Cc1ccccc1)Cc1ccccc1 697732787 CQZYLLVLTYVGFQ-UHFFFAOYSA-N 482.853 6.630 50 10 JKGE Brc1cc([C@@H](Br)c2ncsc2Br)c(Br)s1 698607839 DITHYFMZWVHFPR-RXMQYKEDSA-N 496.869 5.976 50 10 JKGE Cc1cc(F)c([C@@H](Br)c2scc(Br)c2Br)cc1C 705479043 YXCZJMXTHCAPHF-LLVKDONJSA-N 457.000 6.513 50 10 JKGE O=C(NC[C@H]1CCCC[C@H]1CBr)c1scc(Br)c1Br 707805694 IGDLMRJXNSDLLG-DTWKUNHWSA-N 474.056 5.204 50 10 JKGE O=C(c1cc(Br)sc1Br)N(CCBr)c1ccccc1 714551788 DKXWSGQYMKMFPJ-UHFFFAOYSA-N 468.008 5.315 50 10 JKGE Brc1cc([C@H](Br)c2cccs2)ccc1I 721589001 QYCDYVRESDPYIX-NSHDSACASA-N 457.956 5.600 50 10 JKGE N#C/C(=C/c1cccc(OCc2ccc(Cl)cc2)c1)C(=O)Nc1ccc(Cl)c(Cl)c1 1083851397 ZLDYPQXSRXRFKL-YVLHZVERSA-N 457.744 6.771 50 10 JKGE COc1ccc(NC(=O)/C(C#N)=C\c2cc(Br)ccc2OCc2ccccc2Cl)cc1 1083902620 HBQOHYATNCERGJ-PDGQHHTCSA-N 497.776 6.236 50 10 JKGE O=C(CCCSc1nc2ccccc2s1)NN=Cc1ccccc1OCc1ccccc1 1084379265 HJAKAWMYXRJLPW-UHFFFAOYSA-N 461.612 5.898 50 10 JKGE CCOc1ccc(C(=O)NN=Cc2cccc(OCc3ccc(Br)cc3)c2)cc1 1084417741 ZCSPPCHUCMRWTQ-UHFFFAOYSA-N 453.336 5.191 50 10 JKGE COc1ccccc1C(=O)NN=C1CCCc2oc(C(=O)Nc3cccc4ccccc34)c(C)c21 1772745784 HBIRZCPHODXSKP-UHFFFAOYSA-N 467.525 5.473 50 10 JKGE Cc1c(C(=O)Nc2ccc(Cl)cc2)oc2c1C(=NNC(=O)c1ccc(-c3ccccc3)cc1)CCC2 1772746064 AVPGBUUVTRJJPT-UHFFFAOYSA-N 497.982 6.631 50 10 JKGE COc1cccc(C=NNC(=O)CSc2nc3ccccc3[nH]2)c1OCc1cccc(Cl)c1 1772760328 CMFMXTNVPWUOFL-UHFFFAOYSA-N 480.977 5.046 50 10 JKGE Cc1ccc(O)c([C@@H]2C(C#N)=C(N)Oc3c2c(-c2ccccc2)nn3Cc2ccccc2Cl)c1 1865687696 YCQZVKPEYJRCHY-HSZRJFAPSA-N 468.944 5.484 50 10 JKGE CCCOc1cccc([C@H]2C(C#N)=C(N)Oc3c2c(-c2ccccc2)nn3Cc2ccc(F)cc2)c1 1865694697 ZJUXKPRJIMCXAE-VWLOTQADSA-N 480.543 5.744 50 10 JKGE CCCCCOc1ccc([C@@H]2C(C#N)=C(N)Oc3c2c(C)nn3-c2cccc3ccccc23)cc1OC 1865694742 AMRMUKYUHJCLDW-MUUNZHRXSA-N 494.595 6.130 50 10 JKGE N#CC1=C(N)Oc2c(c(-c3ccccc3)nn2Cc2ccc(Cl)cc2)[C@@H]1c1c[nH]c2ccccc12 1865700044 JQCCNMOLTLYPJM-DEOSSOPVSA-N 477.955 5.951 50 10 JKGE COC(=O)c1ccc([C@H]2C(C#N)=C(N)Oc3c2c(-c2ccccc2)nn3Cc2cccc(Cl)c2)cc1 1865709009 LHWISFXNOGJBRT-QHCPKHFHSA-N 496.954 5.257 50 10 JKGE Cc1ccc(C)c(Cn2nc(-c3ccccc3)c3c2OC(N)=C(C#N)[C@H]3c2ccc([N+](=O)[O-])cc2)c1 1865713043 PMVBVMZPPWDTOR-XMMPIXPASA-N 477.524 5.342 50 10 JKGE CC[C@@H](CC(=O)N[C@H](C)C(=O)Nc1ccc(SC#N)cc1)c1cc(Br)ccc1OC 1867129108 VILJZMFWBMFKIQ-CABCVRRESA-N 490.423 5.058 50 10 JKGE CCCCc1ccc(-c2csc(/C(C#N)=C(\O)c3ccccc3C(=O)c3ccccc3)n2)cc1 1872745019 TTZBMERDLOMEKN-FVDSYPCUSA-N 464.590 7.334 50 10 JKGE COc1cc(OC)c(-c2csc(/C(C#N)=C(\O)c3c(Cl)ccc(Cl)c3OC)n2)cc1Cl 1872756136 DPJALIAYZIJYPP-ODLFYWEKSA-N 497.787 6.746 50 10 JKGE CCc1cccc(C)c1N1C[C@@H](/C(O)=C(\C#N)c2nc(-c3c(C)cc(C)cc3C)cs2)CC1=O 1872756947 JDDARMZFAYMECL-DLZCECKCSA-N 471.626 6.452 50 10 JKGE Cc1ccc(COc2ccc(/C=C(\C#N)c3nc(-c4cccc5ccccc45)cs3)cc2)cc1 1872792310 RJOQBKIDVJNBLI-KOEQRZSOSA-N 458.586 7.915 50 10 JKGE CCCCc1ccc(N2C[C@H](/C(O)=C(\C#N)c3nc(-c4ccc5ccccc5c4)cs3)CC2=O)cc1 1873940961 PKQXDFBCTMRLHM-QNGMXQGTSA-N 493.632 7.152 50 10 JKGE COc1cc([C@@H](Br)c2c(Cl)sc(Cl)c2Cl)ccc1Br 1876918554 IBQLXXCQAAHIEJ-SECBINFHSA-N 465.421 6.964 50 10 JKGE CCN[C@H](c1c(Br)sc(Br)c1Br)[C@@H]1C[C@@H]1Br 1897147893 UJBUXRLVEFRTLK-FOHZUACHSA-N 496.888 5.470 50 10 JKGE Cc1c(Br)csc1[C@H](Cl)c1sc(Cl)cc1I 1900954306 QWFREARFZXISMX-QMMMGPOBSA-N 468.006 6.467 50 10 JKGE C[C@H](CCBr)N(Cc1ccccc1)S(=O)(=O)c1cc(Cl)cc(Cl)c1 1915094850 OBXSFSBTRJQIEW-CYBMUJFWSA-N 451.213 5.358 50 10 JKGE O=C(c1ccc(Cl)cc1C(F)(F)F)N(Cc1ccccc1)[C@@H](CBr)C1CC1 1915274295 YTWGUXZORDIEMM-SFHVURJKSA-N 460.721 6.175 50 10 JKGE Cc1c(Br)sc([C@@H](Br)[C@@H]2CC(C)(C)OC2(C)C)c1Br 1922911513 DBSPMAHDEOATRA-WPRPVWTQSA-N 475.084 6.611 50 10 JKGE Cc1c(Br)sc([C@@H](Br)c2cccc(Cl)c2)c1Br 1922943984 XDRLQJWHIUVGAY-JTQLQIEISA-N 459.428 6.719 50 10 JKGE Brc1cc(Br)c([C@@H](Br)c2cc3c(s2)CCCC3)s1 1922946485 RMVWWAMPRZMRJC-LBPRGKRZSA-N 471.077 6.698 50 10 JKGE CC1(C)[C@H]([C@H](Cl)c2c(Br)sc(Br)c2Br)C1(F)F 1924568628 JLCBLSZTBOSZJH-RITPCOANSA-N 473.402 6.607 50 10 JKGE C[C@@H](C[C@H](Cl)c1c(Br)sc(Br)c1Br)C(F)(F)F 1924614130 WQUAUDSQPAPQFI-IMJSIDKUSA-N 479.381 6.904 50 10 JKGE Cl[C@@H](c1csnc1Br)c1sc(Br)cc1Br 1925270644 NGEAXJNYEATZNY-LURJTMIESA-N 452.418 5.820 50 10 JKGE O=C(N[C@@H](CBr)CC1CCCC1)c1cc(Br)cc(Br)c1 1926738283 YLBHLVFVFPTFNW-CQSZACIVSA-N 468.027 5.285 50 10 JKGE CC[C@H]1CN(C[C@@H](CBr)C2CCC2)[C@H](CC)CN1C(=O)OCc1ccccc1 2044626409 HFGAGUZVORKEEO-VSKRKVRLSA-N 451.449 5.309 50 10 JKGE FC1(F)CCC[C@@H]2[C@H]([C@@H](Br)c3cc(Br)sc3Br)[C@H]21 2051244508 TWTCPYRPMCEPSZ-VITNAHMWSA-N 464.995 6.391 50 10 JKGE CC(C)(C)OC(=O)N1CCC(CI)(O[C@H]2CCCC(F)(F)CC2)CC1 2085964163 SUYCKYLFRIOWKD-AWEZNQCLSA-N 473.342 5.176 50 10 JKGE Clc1ccc(C[C@@H](Br)c2cccc(Br)c2Br)cc1Cl 2092336315 WOIBYXOVLWGOKY-LLVKDONJSA-N 487.844 7.197 50 10 JKGE Cc1cc(Br)c([C@@H](Br)[C@]2(C)CCCC2(F)F)cc1Br 2111642854 HDSKHBJCZHZKDY-OLZOCXBDSA-N 460.982 6.782 50 10 JKGE CCC[C@H](Br)c1cn(Cc2cccc(Br)c2Br)nn1 2121068715 SKCGLQNTJWOWBA-JTQLQIEISA-N 451.988 5.088 50 10 JKGE CC(C)(C)[C@@H]1[C@H](Br)CCN1Cc1ccc(Br)cc1Br 2128675908 LBXGITPKLWISOS-OCCSQVGLSA-N 454.044 5.596 50 10 JKGE CO[C@@H]1C[C@@H]([C@@H](Br)c2sc(Br)c(C)c2Br)C12CCC2 2133847713 RFCOAJHGWDICLO-IQJOONFLSA-N 473.068 6.223 50 10 JKGE C[C@@]12CC[C@@](CBr)(C1)N(C(=O)c1cc(Br)c(Br)s1)C2 2134797952 LSYSVJCFVLWVFO-OLZOCXBDSA-N 472.040 5.053 50 10 JKGE Cc1cc(Br)c(C)c([C@H](Br)[C@@H]2C[C@@]23CC3(F)F)c1Br 2136378626 WQUGFPCCIOMAKK-ZEGGKSINSA-N 458.966 6.310 50 10 JKGE Cc1c(Br)ccc([C@@H](Br)CCC2CCCCC2)c1Br 2138876516 QFAZUZXDGKKQLT-HNNXBMFYSA-N 453.056 7.317 50 10 JKGE COc1ccc(C(C)C)cc1[C@@H](Br)c1sccc1I 2139061760 ZABQNDOWJHUBOB-CQSZACIVSA-N 451.167 5.969 50 10 JKGE CC1(C)C[C@H](Br)C[C@H](NC(=O)c2cccc(Br)c2Br)C1 2148751567 QJTJUAFMTFYHKU-ZJUUUORDSA-N 468.027 5.284 50 10 JKGE C[C@@H](Cl)c1nc2cc(Br)c(Cl)cc2n1C[C@H]1CCCN1Cc1ccccc1 2160079599 QWDPGJJUKVVNON-GDBMZVCRSA-N 467.238 6.417 50 10 JKGE COc1cc(F)c([C@H](Cl)c2ccc(I)c(Cl)c2)cc1Br 2202902608 SOGFPEJYLOOKGU-CQSZACIVSA-N 489.937 6.183 50 10 JKGE COc1c(Br)cc(C)cc1[C@H](Cl)c1c(Br)cccc1Br 2203829808 LTCLOFXTGZXTIB-AWEZNQCLSA-N 483.425 6.619 50 10 JKGE CC(C)(C)OC(=O)N1CCC[C@@](CBr)(OCc2ccc(Cl)cc2Cl)C1 2223367431 XJMXMVGKIUXJIU-SFHVURJKSA-N 453.204 5.675 50 10 JKGE Clc1cc(Br)c([C@@H](Cl)c2ccc(Br)cc2)c(Cl)c1Cl 2224316622 GCGALTIRARQNEO-NSHDSACASA-N 463.811 7.500 50 10 JKGE Fc1cc(F)cc([C@@H](Br)c2cc(Br)c(Br)cc2F)c1 2225618137 UWKNNJQNABYJDS-CYBMUJFWSA-N 458.897 6.113 50 10 JKGE COc1c(Cl)cc(Br)cc1[C@@H](Br)c1cc(Br)c(C)s1 2226089491 PXOHFSWSWGYJSY-GFCCVEGCSA-N 489.454 6.728 50 10 JKGE ClCc1ccc(Br)c(Cl)c1N1C[C@@H]2CCC[C@H](C1)N2Cc1ccccc1 2226352823 TYYKIGMUSRBAKI-HDICACEKSA-N 454.239 6.085 50 10 JKGE Cc1cc([C@H](Br)c2c(Br)sc(C)c2C)cc(C)c1Br 2227424306 HXRUPQKEVNTBBL-AWEZNQCLSA-N 467.064 6.991 50 10 JKGE Cc1cccc(C)c1[C@@H](Br)c1c(Br)cc(Cl)c(Cl)c1Cl 2232508606 AENICRASLJTNFW-CYBMUJFWSA-N 457.420 7.510 50 10 JKGE Clc1cc(Br)c([C@H](Br)CC(C2CC2)C2CC2)c(Cl)c1Cl 2232515532 ADTKIOZXWSQOPN-SNVBAGLBSA-N 461.452 7.672 50 10 JKGE FC(F)(F)C1([C@@H](Br)c2c(Br)cc(Cl)c(Cl)c2Cl)CCC1 2232518903 HRGNUCDQXJETEE-JTQLQIEISA-N 475.357 7.578 50 10 JKGE Cc1cc(Br)c([C@@H](Cl)c2ccc(Br)c(F)c2)c(C)c1Br 2235602777 FGMLUAIZJONGSK-HNNXBMFYSA-N 485.416 7.058 50 10 JKGE Cc1cc(Br)c([C@@H](Cl)Cc2ccc(Br)cc2Cl)cc1Cl 2237440890 UULUDVCKXSFVBD-HNNXBMFYSA-N 457.420 7.349 50 10 JKGE Cc1ccc(I)c([C@H](Br)Cc2nc3ccccc3s2)c1 2240991986 SDEBRHATRSGORU-GFCCVEGCSA-N 458.162 5.888 50 10 JKGE COc1cc(Cl)c([C@@H](Cl)c2cc(C)ccc2I)cc1Br 2240994836 CVKMFDLWCFXGSZ-OAHLLOKOSA-N 485.974 6.352 50 10 JKGE CCc1cc([C@@H](Br)c2scc(C)c2Br)sc1Br 2248004060 PYKGKBJCZCKRKB-SNVBAGLBSA-N 459.066 6.690 50 10 JKGE Brc1ccc([C@H](Br)c2cc3sc(Br)cc3s2)o1 2252901272 PHLZYJUCPVFKNL-NSHDSACASA-N 457.006 6.565 50 10 JKGE CC[C@@H]1CN(C(=O)OCc2ccccc2)[C@H](CC)CN1CC1(CBr)CC(C)C1 2254159550 SBMPASKVMULSJR-QXMMQCAPSA-N 451.449 5.309 50 10 JKGE Fc1cc([C@@H](Br)c2sc(Cl)cc2Br)c(Cl)cc1Br 2255968643 XNSAXOXOJITFMI-SNVBAGLBSA-N 497.836 7.203 50 10 JKGE COc1cc(C)c(Br)c(C)c1[C@H](Br)c1csc(Br)c1 2269602460 CTSBTOOXDUOODA-CQSZACIVSA-N 469.036 6.383 50 10 JKGE FC1CC2(C1)CC(CBr)(Cc1ccc(Br)cc1Br)C2 2272090879 HKBPELFLLANHHV-UHFFFAOYSA-N 455.003 6.048 50 10 JKGE C[C@H](Br)CN(CC(C)(C)C)C(=O)c1cc(Br)c(Br)s1 2272436375 BGMLHEIISZTITR-QMMMGPOBSA-N 476.072 5.545 50 10 JKGE Fc1cc(Br)c(F)c(Br)c1[C@H](Br)C1CCCCCC1 2272726759 QIBFXQQOJKMOFH-GFCCVEGCSA-N 460.982 6.896 50 10 JKGE COc1c(Br)cc(Cl)c(C)c1[C@@H](Cl)c1csc(I)c1 2277894697 UPTIPNUQLVHPGK-LBPRGKRZSA-N 492.003 6.414 50 10 JKGE CCOc1ccc([C@H](Br)c2cccc(Cl)c2Br)c(Br)c1 2283197127 DLDYKTSZPKYRNR-AWEZNQCLSA-N 483.425 6.748 50 10 JKGE N#CC(=Cc1cc(Cl)ccc1OCc1ccc(C(=O)O)cc1)C(=O)Nc1cccc([N+](=O)[O-])c1 2293500591 QOCYKSIMDSZJKH-UHFFFAOYSA-N 477.860 5.071 50 10 JKGE N#CC(=Cc1ccc(-c2ccc(Cl)c(C(=O)O)c2)o1)C(=O)Nc1cccc(Br)c1 2294172005 SAJOPDHUWHBXJQ-UHFFFAOYSA-N 471.694 5.606 50 10 JKGE N#CC(=Cc1ccc(OCc2cccc([N+](=O)[O-])c2)c(Br)c1)c1ccc(F)cc1 2294277060 QZBOELZJHGEMLX-UHFFFAOYSA-N 453.267 6.140 50 10 JKGE FC1(F)C[C@H]([C@@H](Br)Cc2cc(Br)cc(Br)c2)C12CCC2 2295331786 OAHPZRAFWSFOAU-OLZOCXBDSA-N 472.993 6.343 50 10 JKGE N#CC(=Cc1cc(Br)ccc1OCc1ccc([N+](=O)[O-])cc1)C(=O)NC1CCCCC1 2297551134 LBKMNHAXDKJGGH-UHFFFAOYSA-N 484.350 5.292 50 10 JKGE N#CC(=Cc1ccc(-c2ccc([N+](=O)[O-])cc2Br)o1)C(=O)Nc1ccc([N+](=O)[O-])cc1 2297551584 SNARWEIIXPDXER-UHFFFAOYSA-N 483.234 5.071 50 10 JKGE CCc1ccc([C@H](Br)c2cc(Br)ccc2OCc2ccccc2)s1 2299492908 JJOZIEQJKLMOLF-HXUWFJFHSA-N 466.238 7.136 50 10 JKGE Cl[C@H](c1ccc(Br)cc1)c1ccc(OCc2ccccc2)cc1Br 2299500184 CWJOTLRMDYMOTQ-HXUWFJFHSA-N 466.600 7.119 50 10 JKGE Cc1c(Cl)sc(Cl)c1[C@@H](Br)c1csc(Br)c1Br 2299547253 JJTVOECDSMJQJD-LURJTMIESA-N 499.902 7.434 50 10 JKGE Clc1cc(I)c([C@@H](Cl)Cc2ccccc2Br)s1 2300956172 WKPLRMJXYAOSPW-VIFPVBQESA-N 461.977 6.291 50 10 JKGE FC1(F)CC[C@H](Cc2ccc(I)c(Br)c2)[C@H]1Br 2306223732 IYMSAPSQKLTKOL-LDYMZIIASA-N 479.928 5.405 50 10 JKGE Clc1ccc(I)cc1CO[C@H]1CCCC[C@H]1I 2307206499 KTGBZHHXGZHGDB-OLZOCXBDSA-N 476.523 5.207 50 10 JKGE N#CC(=Cc1ccc(OC(=O)c2ccc(Cl)cc2)cc1)C(=O)Nc1cc(Cl)ccc1Cl 2313631516 RFPOOTJHRXOVRV-UHFFFAOYSA-N 471.727 6.412 50 10 JKGE CC(C)(C)C1CC([C@H](Br)c2ccc(OCc3ccccc3)cc2Br)C1 2314441585 ZZUZDGJZZOYUTK-BPZDKFOGSA-N 466.257 7.536 50 10 JKGE C=CCNC(=O)C(C#N)=C1S[C@H](Cc2ccc(CCCC)cc2)C(=O)N1c1ccc(C(C)C)cc1 2314593734 SCNMRCLFJYQXNG-AREMUKBSSA-N 487.669 5.881 50 10 JKGE CC1=C(C#N)C(=O)N(Cc2ccccc2)C(=O)C1=Cc1ccc(OCc2ccc(Cl)cc2)cc1 2314618420 NGJYHUDHYYRMBN-UHFFFAOYSA-N 468.940 5.711 50 10 JKGE CCOC(=O)c1c(-c2ccc(Cl)cc2)csc1NC(=O)C(C#N)=Cc1ccc(OC)cc1 2314716705 HVYUDOUPWULFJT-UHFFFAOYSA-N 466.946 5.799 50 10 JKGE COc1ccc([C@H](Br)c2cnsc2Br)c(Br)c1Cl 2315642900 LWRUPNILTIDBEX-QMMMGPOBSA-N 476.415 5.814 50 10 JKGE ClC[C@@H](Cc1ccccc1Br)Cc1sccc1I 2316668987 YQJAHBYVGFURPR-JTQLQIEISA-N 455.586 5.755 50 10 JKGE COc1ccc([C@@H](Br)c2sc(Cl)cc2I)c(F)c1 2316772065 VFESLCBPZCXJBL-LLVKDONJSA-N 461.521 5.638 50 10 JKGE C[C@@H](Br)[C@H]1CCCN(Cc2ccc(I)c(Br)c2)C1 2325215350 YDZATSODIVZHPG-PWSUYJOCSA-N 487.017 5.049 50 10 JKGE C[C@@H]1CCC[C@@](CBr)(Cc2ccc(I)c(Br)c2)O1 2325219688 AFOGBMNKSMPRAY-YGRLFVJLSA-N 488.001 5.319 50 10 JKGE COc1cc2nc(C(C#N)=Cc3ccc(OCc4ccc(C)cc4)cc3)nc(O)c2cc1OC 2331039489 IEPGBHLQOTXBTM-UHFFFAOYSA-N 453.498 5.304 50 10 JKGE N#CC(=C(O)c1cccc(Oc2ccccc2)c1)c1nc(-c2ccc(Cl)cc2Cl)cs1 2331254600 FBQPEFBDYAGIJH-UHFFFAOYSA-N 465.361 7.859 50 10 JKGE Cc1ccc(-c2csc(C(C#N)=C(O)CCCN3C(=O)c4cccc([N+](=O)[O-])c4C3=O)n2)c(C)c1 2331310973 ASUDKSXRBATTAU-UHFFFAOYSA-N 488.525 5.204 50 10 JKGE CC(C)C[C@H](C(O)=C(C#N)c1nc(-c2ccc(F)c(F)c2)cs1)N1C(=O)c2ccccc2C1=O 2331351538 CSVSNKCREWZXCK-OAQYLSRUSA-N 479.508 5.592 50 10 JKGE N#CC(=C(O)CCCCCNC(=O)c1ccccc1)c1nc(-c2ccc(F)c(F)c2)cs1 2331352385 PBGGGRYDYPEIMA-UHFFFAOYSA-N 453.514 5.871 50 10 JKGE CCOc1ccc(OCC)c(-c2csc(C(C#N)=C(O)C(=Cc3ccccc3)c3ccccc3)n2)c1 2331376496 KDBGTQGDYCDPLZ-UHFFFAOYSA-N 494.616 7.641 50 10 JKGE COc1cc(-c2csc(C(C#N)=C(O)CCCOc3ccccc3)n2)c(OC)cc1Cl 2331376833 BEWYMZSJORKBHT-UHFFFAOYSA-N 456.951 6.133 50 10 JKGE COc1ccccc1-c1csc(C(C#N)=Cc2ccc(OCc3ccc(Cl)cc3Cl)cc2)n1 2331436439 YSUHUJBWGFAUKO-UHFFFAOYSA-N 493.415 7.769 50 10 JKGE CCCOc1ccc(-c2csc(C(C#N)=Cc3cccc(OC)c3O)n2)cc1OCCC 2331437670 APBPVZCNQNXNNF-UHFFFAOYSA-N 450.560 6.166 50 10 JKGE CCOc1cc(C=C(C#N)c2nc(-c3ccc(F)c(F)c3)cs2)ccc1OCc1ccccc1C 2331463982 LYQKGMHJKLYUKB-UHFFFAOYSA-N 488.559 7.439 50 10 JKGE COc1cc(Cl)c(C)cc1-c1csc(C(C#N)=Cc2cc(Br)c(O)c(OC)c2)n1 2331474229 PDJDCSBRQWDAAB-UHFFFAOYSA-N 491.794 6.321 50 10 JKGE Cc1cc(Br)c([C@@H](Br)[C@@]23CCC[C@@H]2CC3)c(C)c1Br 2334776957 ZVZRWOUYYPAMMU-HFBAOOFYSA-N 451.040 6.845 50 10 JKGE Brc1cc(OCc2ccccc2)ccc1[C@H](Br)c1cccc2ccsc12 2336038172 KVCBMFIQWQFLJB-NRFANRHFSA-N 488.244 7.727 50 10 JKGE Brc1ccc(OCc2ccccc2)c([C@H](Br)c2ccc3nsnc3c2)c1 2336041848 QZMNRZAHWDJKSU-HXUWFJFHSA-N 490.220 6.517 50 10 JKGE FC1(F)C[C@H]([C@H](Br)c2cc(Br)ccc2OCc2ccccc2)C12CCC2 2336052773 DDRSNDQCGABGBL-IEBWSBKVSA-N 486.194 7.290 50 10 JKGE CC(C)(C1CCC1)[C@H](Br)c1c(Cl)cc(Br)c(F)c1Br 2337080655 KZMGMDGKITWCGS-CYBMUJFWSA-N 477.437 7.266 50 10 JKGE CCN(C[C@](C)(CI)OC[C@@H]1C[C@H]2CCC[C@H]1CC2)C(=O)OC(C)(C)C 2338899768 QQGMFCKEZGTCRO-NTLWEQJWSA-N 479.443 5.670 50 10 JKGE COc1c(Br)cc(C)c([C@@H](Cl)c2cc(Br)cs2)c1Br 2339649101 RRCJOHJSCAEIRN-LBPRGKRZSA-N 489.454 6.681 50 10 JKGE BrC[C@@]12CCC[C@H]1CN(Cc1ccc(I)c(Br)c1)C2 2349839249 GADQIESKNQASKH-SWLSCSKDSA-N 499.028 5.051 50 10 JKGE CN(Cc1cc(I)ccc1Cl)C[C@H](Br)C1CCCC1 2352425750 KIMRBQLZMUCZSK-AWEZNQCLSA-N 456.593 5.330 50 10 JKGE CC[C@@](C)(C(F)F)[C@@H](Br)c1c(C)cc(Br)c(OC)c1Br 2365219777 SAAZERWYHSSASI-GXTWGEPZSA-N 478.997 6.646 50 10 JKGE COc1ccc([C@H](Br)c2c(Cl)cc(F)cc2Cl)cc1I 2366407087 NBTDOXAMSDCOCU-AWEZNQCLSA-N 489.937 6.230 50 10 JKGE O=[N+]([O-])c1sc(CCl)cc1OCc1ccc(I)c(Br)c1 2377617643 WQXUFOVBSUKCQS-UHFFFAOYSA-N 488.528 5.341 50 10 JKGE C=CCC1(CBr)CCN(Cc2cc(I)ccc2Cl)CC1 2380531383 OJSITMUKFNUPQP-UHFFFAOYSA-N 468.604 5.498 50 10 JKGE CC(C)COc1ccc(Br)cc1C(=O)NNC(=O)c1ccccc1OCc1ccccc1 14667045 JVYXHZPIRQZGQF-UHFFFAOYSA-N 497.389 5.138 50 10 JKGE COc1cc(/C=N/NC(=O)c2ccccc2F)cc(Br)c1OCc1ccc(F)cc1 20228379 VZHSJVBFUFVMFF-RPPGKUMJSA-N 475.289 5.079 50 10 JKGE N#C/C(=C/c1ccc(N2N=C(c3ccccc3)C[C@@H]2c2ccccc2)cc1)C(=O)NCc1ccccc1 29492294 ABNQWCWMMGMLHG-ZRYJBNJPSA-N 482.587 6.266 50 10 JKGE CCOc1ccc(OCC(=O)Oc2ccc(/C=C(/C#N)c3ccc(OC)cc3)cc2OC)cc1 31902279 IHCPLUQVDPYJSK-QNGOZBTKSA-N 459.498 5.151 50 10 JKGE COc1cc(/C=C(/C#N)c2cccc(Cl)c2)ccc1OC(=O)c1ccc(Br)cc1 31902348 FYKQURDIHDUCSA-WQRHYEAKSA-N 468.734 6.394 50 10 JKGE N#C/C(=C/c1ccc(-c2cccc(Cl)c2)o1)C(=O)Nc1ccc([N+](=O)[O-])cc1Br 33930338 SIKFPWNNEFZDJT-LCYFTJDESA-N 472.682 5.816 50 10 JKGE Cc1cccc(C)c1OCCOc1c(Cl)cc(Cl)cc1/C=C(/C#N)C(=O)NCc1ccccc1 34828903 YGMCKQDWHMVGTE-XKZIYDEJSA-N 495.406 6.291 50 10 JKGE COc1ccc(-c2nn(-c3ccccc3)cc2/C=C(\C#N)C(=O)Nc2cccc([N+](=O)[O-])c2)cc1 35516325 VPLBOTVPRMMZAM-XMHGGMMESA-N 465.469 5.002 50 10 JKGE N#C/C(=C\c1ccc(-c2c(Cl)cccc2Cl)o1)C(=O)Nc1cc(Cl)cc(Cl)c1 35519392 XTHDYANEFUNRAT-IZZDOVSWSA-N 452.124 7.106 50 10 JKGE N#CC1=C(N)Oc2cc(OC(=O)c3ccc(Cl)cc3)ccc2[C@H]1c1c(Cl)cccc1Cl 38679521 RSECMFDKAKDUDG-HXUWFJFHSA-N 471.727 6.084 50 10 JKGE Cc1ccc2c(C)c(C(=O)Oc3ccc4c(c3)OC(N)=C(C#N)[C@@H]4c3ccc(Cl)cc3)oc2c1C 38687811 KYIMOLOTZQQGEN-XMMPIXPASA-N 484.939 6.449 50 10 JKGE CCCCC1CCC(C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@@H]3c2ccc([N+](=O)[O-])cc2)CC1 38688254 FAXCKXRGJTWUID-WKBCRJLYSA-N 475.545 5.715 50 10 JKGE CSc1ccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4oc5ccc(C)cc5c4C)ccc32)cc1 38700755 HPDNSPJKKMKVTB-RUZDIDTESA-N 482.561 6.209 50 10 JKGE N#C/C(=C\c1ccc2noc(-c3ccc(Cl)cc3)c2c1)c1nc(-c2ccc(Cl)cc2)cs1 39885006 DQJUMPXOKKGMIB-WOJGMQOQSA-N 474.372 7.989 50 10 JKGE C=CCOc1cccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4ccc(OCC(C)C)cc4)ccc32)c1 40529872 CDXXBXHHISKQNX-MUUNZHRXSA-N 496.563 5.724 50 10 JKGE CC(C)c1ccc(Oc2ncnc(NNC(=O)COc3ccc(Cl)cc3Cl)c2[N+](=O)[O-])cc1 40611060 RVCOVXRLXQKLRO-UHFFFAOYSA-N 492.319 5.129 50 10 JKGE Cc1cccc(C(=O)N/N=C2\CCCc3oc(C(=O)N4c5ccc(F)cc5CC[C@@H]4C)c(C)c32)c1 40811326 RTBVRJOUSGUNAK-VMRBLXROSA-N 473.548 5.487 50 10 JKGE Cc1c(C(=O)Nc2ccc(F)cc2)oc2c1/C(=N/NC(=O)c1cccc3ccccc13)CCC2 40813608 MXVXFSPDSKOVMZ-JBASAIQMSA-N 455.489 5.603 50 10 JKGE CCc1ccccc1NC(=O)c1oc2c(c1C)/C(=N/NC(=O)Cc1coc3cc(C)cc(C)c13)CCC2 40826887 KGLALHQHFGRJJM-AWSUPERCSA-N 497.595 6.165 50 10 JKGE N#C/C(=C\c1ccc(OC(=O)CCCOc2ccc(Cl)cc2Cl)cc1)C(=O)NCc1ccco1 40934965 KOPQQSHGVICNDF-QGOAFFKASA-N 499.350 5.574 50 10 JKGE COc1cc(/C=N/NC(=O)[C@H](C)Oc2cc(C)c(Cl)c(C)c2)ccc1OCc1ccc(C)cc1 40960345 HLBXEFSSEMQVEW-SNDUKXJISA-N 480.992 5.770 50 10 JKGE COc1ccc(/C=C(\C#N)C(=O)Nc2nc(-c3ccc(Br)cc3)c(C)s2)cc1 40971418 OCYSRFVBYNRVDM-LFIBNONCSA-N 454.349 5.435 50 10 JKGE COc1cc(/C=N\NC(=O)CC[C@H](O)c2ccccc2)ccc1OCc1ccc2ccccc2c1 58889719 LRONVHQQXSUCSG-UAWDSHSBSA-N 468.553 5.391 50 10 JKGE COc1cc(/C=C(/C#N)C(=O)Nc2cc(Cl)ccc2Cl)ccc1OCc1ccc(C)cc1 59117380 VHVKCVGZXVLOEK-ODLFYWEKSA-N 467.352 6.435 50 10 JKGE Cc1ccc(-n2nc(C)c(/C=N/NC(=O)COc3ccc(C(C)(C)c4ccccc4)cc3)c2C)cc1C 59148586 HCMCCFALRXTIIF-BIZUNTBRSA-N 494.639 5.961 50 10 JKGE CCOc1c(Br)cc(/C=N/NC(=O)c2cc3cc(Br)ccc3o2)cc1OC 59304341 DEPWIBXDGZZMBZ-LSHDLFTRSA-N 496.155 5.129 50 10 JKGE O=C(N/N=C/c1ccccc1OCc1ccc(Cl)cc1)c1cc2cc(Br)ccc2o1 59417794 OMDYAWPGUIAWED-LGJNPRDNSA-N 483.749 6.192 50 10 JKGE C[C@@H]1CC(C)(C)N2CCC(C)(C)c3cc(/C=C/C4=CC(=C(C#N)C#N)C=C(C(C)(C)C)O4)cc1c32 72266020 DIWDPVMOQKJXBB-SQUSKLHYSA-N 467.657 7.661 50 10 JKGE COc1ccc(C[C@H](CBr)Cc2cccc(Br)c2)cc1Br 97184647 VUTCIMCQWGEGFN-CQSZACIVSA-N 477.034 6.017 50 10 JKGE CCCCCCCCCCCCCC(=O)NNC(=O)c1ccc(NC(=O)c2cccc(C)c2)cc1 100442980 PKRRZTLVKNIENH-UHFFFAOYSA-N 479.665 6.709 50 10 JKGE CCc1ccc(N2C(=O)[C@@H](Cc3cccc(C)c3)S/C2=C(/C#N)C(=O)Nc2cccc(C)c2)cc1 101245371 IBGVNHBZXCXCMY-SJCFVWOQSA-N 481.621 5.931 50 10 JKGE Cc1ccc(C)c(C[C@@H](Br)c2cc(Br)sc2Br)c1 109870133 VQAGXHHLEDSJAW-GFCCVEGCSA-N 453.037 6.569 50 10 JKGE BrCC(CBr)(Cc1ccc(I)cc1)c1ccccc1 118670608 MVEOWQHCFCLFCT-UHFFFAOYSA-N 494.008 5.562 50 10 JKGE FC(F)(F)c1ccc(Br)c([C@H](Br)c2ccc(Cl)cc2Cl)c1 159842881 QWWLBUAOVLOEQR-CYBMUJFWSA-N 462.918 7.259 50 10 JKGE N#C/C(=C/c1ccc(-c2ccccc2[N+](=O)[O-])o1)C(=O)Nc1cc(C(F)(F)F)cc(C(F)(F)F)c1 209396147 NWLXUFQJDRALSM-GHXNOFRVSA-N 495.335 6.438 50 10 JKGE COc1ccc([C@H](Cl)c2cc(Br)ccc2I)cc1F 234991331 PKFXLHKNYLSVBL-AWEZNQCLSA-N 455.492 5.530 50 10 JKGE O=C(NN=Cc1ccc(Cl)cc1Cl)c1ccc(N2C(=O)CS[C@H]2c2ccccc2)cc1 252630146 UVPSXQBCBDUQBT-QHCPKHFHSA-N 470.381 5.536 50 10 JKGE C=CCn1c(CNc2ccc(Cl)cc2)nnc1S[C@@H](C)C(=O)NN=Cc1ccccc1Cl 252630473 VAJOIOQCNJKAIG-HNNXBMFYSA-N 489.432 5.014 50 10 JKGE O=C(NN=Cc1ccc(N2N=C(/C=C\c3ccccc3)C[C@@H]2c2ccccc2)cc1)c1ccc(F)cc1 254380372 OCOSQSRNZUSUKT-ICIPJEKXSA-N 488.566 6.610 50 10 JKGE O=C(NN=Cc1c[nH]c2ccccc12)c1ccc(-n2c(-c3ccccc3)ccc2-c2ccccc2)cc1 254488786 MJZGAMGXRORBCL-UHFFFAOYSA-N 480.571 7.057 50 10 JKGE Cc1ccc2c(c1)nc(CCl)n2-c1cc(Br)ccc1I 380319688 YTDGQRQDWORNON-UHFFFAOYSA-N 461.528 5.440 50 10 JKGE Cc1cccc([C@@H](Cl)c2scc(C(F)(F)F)c2Br)c1I 380519250 QZPBXBZGKCRBEX-SNVBAGLBSA-N 495.529 6.771 50 10 JKGE CC[C@H]1CC[C@H]([C@H](Br)c2cc(Br)c(C)cc2Br)CC1 381020535 SHZGSAUJGSKVDV-MKBNYLNASA-N 453.056 7.172 50 10 JKGE N#CSc1ccc(NC(=O)Nc2cccc(C(=O)NCCc3c[nH]c4ccccc34)c2)cc1 586732619 KASWCFAFMPTPBV-UHFFFAOYSA-N 455.543 5.358 50 10 JKGE CC1(C)COc2c([C@@H](Br)c3sccc3Br)cc(Br)cc21 688194875 NZKPZGKREJTFTO-GFCCVEGCSA-N 481.047 6.427 50 10 JKGE Cn1cc(Br)c([C@@H](Br)c2cc(Cl)c(Cl)c(Cl)c2Cl)n1 693050692 DRTINRJILXJPME-ZETCQYMHSA-N 467.803 6.281 50 10 JKGE Cc1cccc2nc(CCCl)n(CC3(N(Cc4ccccc4)Cc4ccccc4)COC3)c12 705869460 MQJRNBNMCYINPQ-UHFFFAOYSA-N 460.021 5.597 50 10 JKGE BrCc1c(Br)cccc1N1CCCc2cc(Br)ccc21 713291509 FKWMOIUWOMYNCP-UHFFFAOYSA-N 460.007 6.191 50 10 JKGE Cc1ccc([C@H](Br)c2cccc(Br)c2F)c(C)c1Br 719534176 GJOBEMQWNWTMOR-AWEZNQCLSA-N 450.971 6.452 50 10 JKGE C#CCOc1c(Cl)cc(C=NNC(=O)c2cc3cc(Br)ccc3o2)cc1OCC 1083916886 YKBNYUMKIIPDGY-UHFFFAOYSA-N 475.726 5.023 50 10 JKGE CN(c1ccccc1)c1ccc(C=NNC(=O)CN(Cc2ccccc2)Cc2ccccc2)cc1 1084079266 GCRUXNAKUMNRDX-UHFFFAOYSA-N 462.597 5.607 50 10 JKGE O=C(CNc1cccc(N2CCCC2=O)c1)NN=Cc1ccc2ccc3cccc4ccc1c2c34 1084101532 RTXQDHRSVKKGKX-UHFFFAOYSA-N 460.537 5.273 50 10 JKGE COc1cccc(C(=O)NN=C2CCCc3oc(C(=O)Oc4ccc(Cl)cc4Cl)c(C)c32)c1 1772746515 FSABJRPOYOWRQZ-UHFFFAOYSA-N 487.339 5.593 50 10 JKGE CCCc1nn(-c2ccc(Br)cc2)c2c1[C@H](c1cc(Cl)ccc1O)C(C#N)=C(N)O2 1865689323 PLKKPVINNDGYMA-LJQANCHMSA-N 485.769 5.164 50 10 JKGE CCOc1ccc([C@@H]2C(C#N)=C(N)Oc3c2c(C)nn3Cc2ccc(Cl)c(Cl)c2)cc1OCC 1865690018 ZCYQVSHENDOAOJ-HSZRJFAPSA-N 499.398 5.562 50 10 JKGE CCCc1nn(Cc2ccc(C)cc2)c2c1[C@@H](c1ccc(OCc3ccccc3)cc1)C(C#N)=C(N)O2 1865690575 VKLWWEQJVHGGJE-NDEPHWFRSA-N 490.607 5.990 50 10 JKGE COc1ccc(-c2nn(-c3cccc4ccccc34)c3c2[C@@H](c2ccco2)C(C#N)=C(N)O3)cc1 1865698615 YQGPINFNAGBLCY-XMMPIXPASA-N 460.493 5.512 50 10 JKGE COc1cc([C@@H]2C(C#N)=C(N)Oc3c2c(C(F)(F)F)nn3-c2ccc(Cl)c(Cl)c2)ccc1O 1865705813 GMNQBILJXNASPE-MRXNPFEDSA-N 497.260 5.130 50 10 JKGE Cc1ccc(C)c(Cn2nc(-c3ccccc3)c3c2OC(N)=C(C#N)[C@H]3c2ccccc2[N+](=O)[O-])c1 1865710129 PDJLXOYBBNKETN-XMMPIXPASA-N 477.524 5.342 50 10 JKGE COc1ccc(-c2ccc(C(=O)N/N=C\c3cccc(OCc4ccccc4)c3)c(C)n2)cc1OC 1865760878 TXPZLRJNPKWVCT-YKQZZPSBSA-N 481.552 5.417 50 10 JKGE CSCC[C@H](NC(=O)/C=C(/c1ccc(C)c(C)c1)C1CC1)C(=O)Nc1ccc(SC#N)cc1 1866692248 MMUHSXUYHGEVAC-BCGDRIGESA-N 479.671 5.547 50 10 JKGE CC(C)[C@@H]1c2[nH]cnc2CCN1c1cc(Nc2ccc(SC#N)cc2)nc(Cc2ccccc2)n1 1868207135 HHNYHINUIGKPQB-HHHXNRCGSA-N 481.629 5.867 50 10 JKGE Cc1nc(Nc2ccc(SC#N)cc2)cc(N2CCc3ccc(C(C)C)cc3[C@@H]2c2ccccc2)n1 1868480836 VCFFKQRNVFRUIA-PMERELPUSA-N 491.664 7.377 50 10 JKGE CC(C)(C)c1ccc(-c2csc(/C(C#N)=C(\O)c3ccccc3I)n2)cc1 1872750832 LXGDMUWMROBVBR-JZJYNLBNSA-N 486.378 6.662 50 10 JKGE N#C/C(=C(/O)[C@H](Cc1ccccc1)N1C(=O)c2ccccc2C1=O)c1nc(-c2cccs2)cs1 1872750914 UBTUGSVVTPFIOM-HFBCPUAESA-N 483.574 5.572 50 10 JKGE CCc1cccc(CC)c1N1C[C@H](/C(O)=C(\C#N)c2nc(-c3ccc4c(c3)OCO4)cs2)CC1=O 1872752586 KIDHTYUXROAOBK-LMRHOSECSA-N 487.581 5.509 50 10 JKGE N#C/C(=C\c1ccc(OCc2ccccc2Cl)cc1)c1nc(-c2ccc(Cl)s2)cs1 1872794544 IIZACJUHILLTHD-GZTJUZNOSA-N 469.418 7.822 50 10 JKGE CCCOc1ccc(-c2csc(/C(C#N)=C(\O)c3cccc4ccccc34)n2)cc1OCCC 1872818100 MYNFJOFZGLMTCI-VYIQYICTSA-N 470.594 7.491 50 10 JKGE FC(F)(F)[C@H]1OC2([C@H](Br)c3cc(Br)sc3Br)CC1C2 1878419378 SJNILZBJERRSHJ-IZJSASCNSA-N 484.957 5.819 50 10 JKGE Cl[C@@H](c1ccc(OCc2ccccc2)cc1Br)c1nscc1Br 1899860889 IHNLKLXJCVXEKA-INIZCTEOSA-N 473.617 6.575 50 10 JKGE BrCCCN(Cc1ccccc1)Cc1ccc(Br)cc1Br 1914620285 LAYXQNRXOLTGNO-UHFFFAOYSA-N 476.050 5.999 50 10 JKGE CC(C)[C@@H](CCl)N(Cc1ccccc1)S(=O)(=O)c1cc(Cl)c(Br)s1 1915276451 PLLWPTITYZOGHM-CQSZACIVSA-N 471.269 5.618 50 10 JKGE Clc1ccc(I)c(CN2CC[C@@]3(CCC[C@H]3Br)C2)c1 1918965452 UOKFJNKLNREBGW-CABCVRRESA-N 454.577 5.084 50 10 JKGE CC[C@H](CC(C)C)[C@@H](Br)c1c(Br)sc(Br)c1Cl 1923048024 DSXFYXZQIWIFNM-VXNVDRBHSA-N 467.492 7.435 50 10 JKGE Cc1c(Cl)cccc1[C@@H](Br)c1c(Br)sc(Br)c1Cl 1923054224 BXJJCIGEHZZRQM-SECBINFHSA-N 493.873 7.373 50 10 JKGE CC1(C)[C@H]2CC[C@@H](C2)[C@@H]1[C@@H](Br)c1c(Br)sc(Br)c1Cl 1923068790 WLMRHZFGOQJQLH-MFDQJXRNSA-N 491.514 7.435 50 10 JKGE Clc1ccc(Br)c([C@H](Br)Cc2ccncc2Br)c1 1924052483 NDCCNEAHFGMVOU-GFCCVEGCSA-N 454.387 5.939 50 10 JKGE C[C@@H]1CCC[C@@H]1[C@@H](Br)c1c(Br)sc(Br)c1Br 1924581075 XDWWHJFQBSRSNT-GKROBHDKSA-N 495.900 6.908 50 10 JKGE COc1cc(C)c(Br)cc1[C@H](Br)c1csnc1Br 1925248683 RSVPYBUJZANSDP-NSHDSACASA-N 455.997 5.469 50 10 JKGE C[C@]1(F)C[C@H]([C@@H](Br)c2c(Br)sc(Br)c2Br)C1 1992298475 SXJHIUWSKXKLIG-FAWMWEEZSA-N 499.863 6.610 50 10 JKGE Cc1cc(Br)c([C@@H](Br)c2nn(C)c(Cl)c2Br)s1 2001994244 MMVGSKBOJBSBAO-LURJTMIESA-N 463.420 5.453 50 10 JKGE CC(C)(C)N(Cc1ccccc1)S(=O)(=O)c1cc(CBr)ccc1Br 2009658170 KPMFRBAXRDHVTC-UHFFFAOYSA-N 475.246 5.333 50 10 JKGE CC(C)CN(Cc1ccccc1)S(=O)(=O)c1cc(CBr)ccc1Br 2009659148 ZEWQBKGMGSOQEE-UHFFFAOYSA-N 475.246 5.191 50 10 JKGE CCn1cc(Br)c([C@H](Br)c2cc(Br)c(Cl)s2)n1 2010563241 NWIWPJDOTYJCRM-MRVPVSSYSA-N 463.420 5.627 50 10 JKGE COc1cc(Br)c(C)cc1[C@@H](Cl)c1sccc1I 2029251419 IUMQWKUBHJTTMP-GFCCVEGCSA-N 457.558 5.760 50 10 JKGE Fc1ccc([C@H](Cl)c2csc(Br)c2Br)c(F)c1Br 2032958607 IAXWBCZDVJQXIT-VIFPVBQESA-N 481.381 6.642 50 10 JKGE N#CC(=C(Cl)c1cc(I)ccc1Br)c1cncs1 2035103962 OISMETBRQGAPRE-UHFFFAOYSA-N 451.514 5.141 50 10 JKGE Cc1sc([C@@H](Cl)c2cc(I)ccc2F)c(C)c1Br 2050463055 FSWKPSLMFJPCOQ-LBPRGKRZSA-N 459.549 6.199 50 10 JKGE FC(F)(F)CC1([C@@H](Br)c2cc(Br)ccc2Br)CC1 2056621280 PJMWFKPSWXZLMQ-JTQLQIEISA-N 450.918 6.380 50 10 JKGE CN(C[C@H]1C[C@H](Br)C1)C(=O)c1ccc(NC(=O)OC(C)(C)C)c(Br)c1 2076208009 IKRGPXHTBUZOAD-AULYBMBSSA-N 476.209 5.042 50 10 JKGE COc1cc(Cl)c([C@@H](Br)c2cscc2Br)cc1Br 2082381582 GEDBSBNFNCMXIN-GFCCVEGCSA-N 475.427 6.419 50 10 JKGE Cc1c(Br)sc([C@@H](Br)c2cc(F)ccc2F)c1Br 2083095172 MYUHTXOFPKHGAE-JTQLQIEISA-N 460.963 6.344 50 10 JKGE Cc1ccc(CO[C@@]2(CI)CCCN(C(=O)OC(C)(C)C)C2)cc1C 2083844711 VXXLSPRTEKACJT-HXUWFJFHSA-N 459.368 5.025 50 10 JKGE Brc1ccc(C[C@@H]2C[C@@H]3CCCC[C@H]3[C@@H]2Br)c(Br)c1 2095363104 OMFOBISKHIWSHQ-PNEXNCLXSA-N 451.040 6.344 50 10 JKGE CC(C)(C)OC(=O)N[C@H](C[S@](C)(=O)=NC[C@H](CBr)C(C)(C)C)C(C)(C)C 2106785862 CQCZPXYBMJVCSK-JZXAWVDUSA-N 455.503 5.081 50 10 JKGE CC(C)(C)OC(=O)N[C@H](C[S@@](C)(=O)=NC[C@@H](CBr)C(C)(C)C)C(C)(C)C 2106785863 CQCZPXYBMJVCSK-OXWSONJVSA-N 455.503 5.081 50 10 JKGE Cc1c(Br)sc([C@H](Br)c2cc3ncccc3s2)c1Br 2108679216 VPTJNBIPRNXYDQ-LLVKDONJSA-N 482.060 6.676 50 10 JKGE Fc1c(Cl)cccc1C[C@@H](Br)c1cccc(Br)c1Br 2113468948 UASOOEGTUPZYFQ-LLVKDONJSA-N 471.389 6.683 50 10 JKGE O=C(N[C@@H](CBr)c1ccsc1)c1c(Br)cccc1Br 2119043044 GVVLFGNQFPQLBS-NSHDSACASA-N 468.008 5.139 50 10 JKGE CC(C)[C@H](C)N(Cc1ccccc1)S(=O)(=O)c1cc(F)c(Cl)c(CBr)c1 2123268835 OHFOCTQUQAHUFG-AWEZNQCLSA-N 462.812 5.609 50 10 JKGE COc1ccc([C@H](Br)c2c(C)c(Br)cc(C)c2Br)s1 2136373950 HOKHRXMFLKIRGW-AWEZNQCLSA-N 469.036 6.383 50 10 JKGE Brc1cnc(N2CCCC23CCC(Br)CC3)c(Br)c1 2137554013 LULUHCSUHAPIOJ-UHFFFAOYSA-N 453.016 5.283 50 10 JKGE Cc1c(Br)ccc([C@@H](Br)[C@@H]2CC23CC(F)(F)C3)c1Br 2138850714 IAVOWDXOSWCKMT-JOYOIKCWSA-N 458.966 6.391 50 10 JKGE CC(C)(C)[C@H]1[C@@H](Br)CCN1Cc1ccc(I)c(Cl)c1 2142942038 ADRJNTHNTQTCGI-SMDDNHRTSA-N 456.593 5.329 50 10 JKGE COc1cc(Cl)c([C@@H](Cl)c2csc(Br)c2Br)cc1OC 2150341627 HPTZSPWIRAPQLX-GFCCVEGCSA-N 461.002 6.272 50 10 JKGE CC[C@](CBr)(Cc1c(Br)cccc1Br)c1ccccc1 2150493341 ABBNHKRRXOKVGP-QGZVFWFLSA-N 461.035 6.497 50 10 JKGE COc1cc(Br)c(Oc2cc(C)c(CBr)cn2)cc1Br 2151937884 PWJFUKHJMKQQEZ-UHFFFAOYSA-N 465.967 5.611 50 10 JKGE CCc1nn(-c2c(CBr)ccc(Br)c2Cl)c(CC)c1Br 2154376462 URMKXCGBXUESGA-UHFFFAOYSA-N 485.445 6.070 50 10 JKGE Brc1ccc(CN2CCC[C@@H]3CC[C@@H](Br)C[C@@H]32)c(Br)c1 2167010386 OVBWVRCYONSMQJ-XFJVYGCCSA-N 466.055 5.740 50 10 JKGE COc1cc(Br)c([C@@H](Br)c2nc(C)sc2Br)cc1OC 2169496914 VJBQUCUCEOYXSD-LLVKDONJSA-N 486.023 5.478 50 10 JKGE CC[C@H](Br)[C@H]1CCCCN1C(=O)c1cc(Br)cc(Br)c1 2170615699 SBLBEIXRHAKBHE-UONOGXRCSA-N 468.027 5.380 50 10 JKGE Cc1ccc(CBr)cc1S(=O)(=O)N(Cc1ccccc1)CC1CCCCC1 2179788672 GAIXEZVELRTKNZ-UHFFFAOYSA-N 450.442 5.661 50 10 JKGE CCCC1CCC([C@H](Br)c2cc(Br)c(C)cc2Br)CC1 2192869261 KNFWNGPMWSRDOV-FVKWTLKZSA-N 467.083 7.563 50 10 JKGE CC1(C)CC[C@@H](CO[C@H](CI)c2ccccc2Br)OC1 2197344870 XEYYTXWEUOREGG-SWLSCSKDSA-N 453.158 5.147 50 10 JKGE CC1(C)CCC[C@@H](COc2c(Br)cc(Br)cc2CBr)C1 2203245854 QNUKIYKIOFAPFZ-LLVKDONJSA-N 469.055 6.702 50 10 JKGE C[C@H](COCc1ccccc1)n1c(CCl)nc2cc(Br)c(Br)cc21 2213528136 QBYDOJZLOOYUQD-GFCCVEGCSA-N 472.608 6.078 50 10 JKGE Cc1c(Br)csc1[C@@H](Cl)c1cc(Br)c(Br)cc1F 2219001960 FUJGYMOTAFGMEY-NSHDSACASA-N 477.418 6.811 50 10 JKGE COCc1cc(Br)c([C@@H](Br)c2sc(C)cc2Br)s1 2221843029 GHUJFHKIIBTSLL-JTQLQIEISA-N 475.065 6.274 50 10 JKGE FC1(F)C[C@]12C[C@H]2[C@@H](Br)c1c(Br)cc(Cl)c(Cl)c1Cl 2224304393 IZDXYOYYCZZLLS-LSMXRSANSA-N 455.351 6.891 50 10 JKGE C[C@H](Cl)c1nc2cc(Br)c(Br)cc2n1C[C@@H](C)N(C)Cc1ccccc1 2225685972 IRZKZZDIGWCKHK-KGLIPLIRSA-N 499.678 6.382 50 10 JKGE Cc1cc(C)c([C@H](Br)c2c(C)c(Br)cc(C)c2Br)s1 2225931422 LHRIPICCPFGJTL-CQSZACIVSA-N 467.064 6.991 50 10 JKGE BrCC(CBr)(Cc1ccccc1)Cc1cscc1Br 2227115567 NAOSHDRQPFQHIK-UHFFFAOYSA-N 467.064 6.072 50 10 JKGE Cc1cc(Br)c([C@H](Br)[C@@H]2CCO[C@H](C)C2)c(C)c1Br 2227356102 PJYAQJIDJPDGIP-XDMRBOTDSA-N 455.028 6.080 50 10 JKGE CCc1nc([C@H](Br)Cc2ccc(Br)cc2Cl)c(Br)s1 2229141737 SXCKKPQQUUZWKU-SECBINFHSA-N 488.470 6.563 50 10 JKGE Cc1ccc(I)c([C@H](Br)[C@@H](C)c2ccncc2Br)c1 2232216042 OQDKGDLAADBCHR-ZUZCIYMTSA-N 494.996 5.997 50 10 JKGE Fc1cc(Br)c(Br)cc1[C@H](Br)c1ccsc1C(F)(F)F 2233974717 GWCCRGFDMYIJRY-SNVBAGLBSA-N 496.943 6.915 50 10 JKGE Fc1ccc([C@@H](Br)c2ccc3c(c2Br)CCO3)c(Br)c1 2238082688 QRWWKZMXWCHWOV-CQSZACIVSA-N 464.954 5.770 50 10 JKGE COc1c(Cl)cc(Br)cc1[C@H](Cl)c1cc(C)ccc1I 2241000269 GRKHQUCQWBILKR-CQSZACIVSA-N 485.974 6.352 50 10 JKGE Cn1cc([C@@H](Cl)Cc2cc(Br)cc(Br)c2)nc1Br 2263513486 OHVFFTBMFIOFTQ-JTQLQIEISA-N 457.391 5.230 50 10 JKGE Fc1cccc(Br)c1C[C@@H](CBr)c1ccc(Br)cc1 2273829096 XJMKLSGFQSNIEG-NSHDSACASA-N 450.971 6.072 50 10 JKGE Clc1cccc([C@H](Br)c2cc(Br)cc3c2OCC3)c1Br 2283188967 OUZUHBHPVSVSEI-ZDUSSCGKSA-N 481.409 6.284 50 10 JKGE COc1ccc(Br)cc1[C@H](Br)c1cc(Br)c(F)cc1Cl 2285940831 DFHAYVRWFXIEDP-CQSZACIVSA-N 487.388 6.497 50 10 JKGE COc1ccc(Br)c2c1nc(CCCl)n2[C@H](C)CCOCc1ccccc1 2286088998 YLODDWIKRIQTCO-OAHLLOKOSA-N 451.792 5.757 50 10 JKGE CC(C=NNC(=O)CSc1nnc(SCc2ccc(C)cc2)s1)=Cc1ccccc1 2293735571 GZTGKTYLMBIQSR-UHFFFAOYSA-N 454.646 5.436 50 10 JKGE N#CC(=Cc1cn(Cc2ccc(Cl)c(Cl)c2)c2ccccc12)C(=O)NC[C@@H]1CCCO1 2294168612 VKVLUHUEMZZPIV-IBGZPJMESA-N 454.357 5.199 50 10 JKGE CC1(C)C[C@@H]([C@@H](Br)Cc2cc(Br)cc(Br)c2)C(C)(C)O1 2295340414 WKLHKMQFOVAYCQ-KBPBESRZSA-N 469.055 6.111 50 10 JKGE COc1ccc(Br)cc1[C@H](Br)c1cc2sc(Br)cc2s1 2295510484 YKMWAHCXHQOACX-AWEZNQCLSA-N 497.071 6.981 50 10 JKGE Cc1ccc(C)c(NC=C(C#N)c2nc(-c3cc4cc(Br)ccc4oc3=O)cs2)c1 2295902667 JWHAMUXUMVZIMI-UHFFFAOYSA-N 478.371 6.272 50 10 JKGE N#CC1=C(S)N(c2ccccc2)[C@H](C=Cc2ccc(-c3cc(Cl)ccc3Cl)o2)NC1=O 2296818966 GLSUONZYFCGARF-OAQYLSRUSA-N 468.365 5.894 50 10 JKGE CC(C)(F)[C@](C)(F)[C@H](Br)c1cc(Br)ccc1OCc1ccccc1 2299489075 MCUDFFVEQQJGLM-IEBWSBKVSA-N 462.172 6.940 50 10 JKGE CO[C@@H]1C[C@@H]1[C@@H](Br)c1c(Cl)cc(Br)c(F)c1Br 2300174348 PFTQULKONKRVET-ZJKWWJTRSA-N 451.355 5.475 50 10 JKGE Fc1ccc(Br)c([C@@H](Cl)c2cc(Br)ccc2OCc2ccccc2)c1 2314450346 YHJXVTHDDXWITB-HXUWFJFHSA-N 484.590 7.258 50 10 JKGE CCCC[C@H](C)CC[C@H](Br)c1ccc(OCc2ccccc2)cc1Br 2314503860 WQVDPHBPMWHHND-UWJYYQICSA-N 468.273 8.071 50 10 JKGE CCOc1ccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)C=Cc4ccc(C)cc4)ccc32)cc1 2314640644 HLJPCUSKLXMCGP-HHHXNRCGSA-N 452.510 5.231 50 10 JKGE CCOc1ccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)C=Cc4ccc(C)cc4)ccc32)cc1 2314640645 HLJPCUSKLXMCGP-MHZLTWQESA-N 452.510 5.231 50 10 JKGE COC(=O)C(C#N)=Cc1cccc(OC(=O)COc2ccc(-c3ccccc3)cc2Br)c1 2314755204 YDKYHNPETOONJE-UHFFFAOYSA-N 492.325 5.180 50 10 JKGE CC12CC(C1)[C@H]([C@@H](Br)c1c(Br)sc(Br)c1Cl)CO2 2315928218 NNWQYTZONBQPPS-OGPICLJWSA-N 479.459 6.178 50 10 JKGE Cc1c(Br)sc([C@H](Br)[C@]23C[C@H](C[C@@H](C)O2)C3)c1Br 2319799803 ZTXHTJUCTNVAIS-XMFWJMNWSA-N 459.041 5.975 50 10 JKGE Cc1ccc(-c2csc3ncn(CC(=O)C(C#N)=C4Nc5ccccc5S4)c(=O)c23)c(C)c1 2320729552 ICELRTPKBDKHDH-UHFFFAOYSA-N 470.579 5.264 50 10 JKGE Cc1ccc2nc(-c3ccc(NC=C(C#N)C(=O)N4CCCc5ccccc54)cc3)sc2c1 2324673022 NEEIISWHUKRMNG-UHFFFAOYSA-N 450.567 6.071 50 10 JKGE CCOc1cc(C=C(C#N)c2ccc(C(=O)OC(C)C)o2)ccc1OCc1cccc(Cl)c1 2331049747 OXPJUDLWPFDQLS-UHFFFAOYSA-N 465.933 6.540 50 10 JKGE COc1ccc(-c2csc(C(C#N)=C(O)C=Cc3ccc(OCc4ccccc4)cc3)n2)cc1OC 2331242623 VDADMYPYBGBSSA-UHFFFAOYSA-N 496.588 6.912 50 10 JKGE C[C@@H](c1ccccc1)N1C[C@H](C(O)=C(C#N)c2nc(-c3cccc(Br)c3)cs2)CC1=O 2331278834 LKRSHEORUYBXJV-MAUKXSAKSA-N 494.414 5.975 50 10 JKGE CC(C)N1C(=O)c2ccc(C(O)=C(C#N)c3nc(-c4cccc(Br)c4)cs3)cc2C1=O 2331279450 ZYBIUGBLVUSCIN-UHFFFAOYSA-N 494.370 5.527 50 10 JKGE N#CC(=Cc1cc(Br)ccc1F)c1nc(-c2ccc(Cl)cc2Cl)cs1 2331424640 CGUUXWUAUXFUTA-UHFFFAOYSA-N 454.151 7.083 50 10 JKGE COc1cc(C=C(C#N)c2nc(-c3c(C)c(C)cc(C)c3C)cs2)ccc1OCc1ccccc1 2331467127 ISRKLYHTGHJORJ-UHFFFAOYSA-N 480.633 7.696 50 10 JKGE COc1ccc(Cl)cc1-c1csc(C(C#N)=Cc2ccccc2OCc2ccc(Cl)cc2)n1 2331491959 ZZFAWVSWAMQYFG-UHFFFAOYSA-N 493.415 7.769 50 10 JKGE Cc1cc2sc([C@H](Cl)c3ccc(OCc4ccccc4)cc3Br)cc2s1 2336037437 DDRZJYQMQWKPFR-OAQYLSRUSA-N 463.849 7.941 50 10 JKGE Brc1cc(OCc2ccccc2)ccc1[C@H](Br)[C@H]1C[C@H]1C1CCCCC1 2336048559 VKQXCRVXKUWJIT-FUDKSRODSA-N 478.268 7.681 50 10 JKGE CC1(C)CC[C@@H]([C@H](Br)c2c(Cl)cc(Br)c(F)c2Br)C1 2337083952 GBSXZWMRWRJZFA-HQJQHLMTSA-N 477.437 7.266 50 10 JKGE CCCc1sc(Br)cc1[C@@H](Cl)c1ccc(Cl)c(I)c1 2338021443 SLTMTOVGGKOMDV-AWEZNQCLSA-N 490.031 7.049 50 10 JKGE CCCc1sc(Br)cc1[C@@H](Br)c1cccc(Br)c1Cl 2338026533 QYYDBWBFWSHRMK-ZDUSSCGKSA-N 487.482 7.363 50 10 JKGE COc1c(Br)cc(C)c([C@H](Br)[C@@H]2C[C@H]2C2CC2)c1Br 2339640431 YLGXUTQUHKRNLW-OPQQBVKSSA-N 453.012 6.011 50 10 JKGE Cc1cc(Br)c(F)c(Br)c1[C@H](Br)C(C)(C)C(C)(C)C 2339676943 YVDWBPZYWLFUSP-ZDUSSCGKSA-N 459.035 7.167 50 10 JKGE CCC[C@@H](O[C@](C)(CI)CN(CC)C(=O)OC(C)(C)C)c1ccccc1 2340542828 VSGYYRLZLQNWCA-WIYYLYMNSA-N 475.411 5.995 50 10 JKGE Brc1cc(Br)cc(C[C@H](Br)C[C@H]2CC[C@H]2C2CC2)c1 2342329165 FMOOVYGPBMZTEJ-WWGRRREGSA-N 451.040 6.344 50 10 JKGE Brc1ccc(Br)c([C@@H](Br)[C@@H]2C[C@@H]3CCCCCC[C@@H]32)c1 2354878335 UFMIVIZERMUWME-DPYKFYPSSA-N 465.067 7.254 50 10 JKGE CC1(C)CC([C@H](Br)c2ccc(OCc3ccccc3)cc2Br)CC(C)(C)C1 2361171707 LXOQOFRKVHNLRF-QFIPXVFZSA-N 494.311 8.317 50 10 JKGE Cc1cc(Br)c(F)c(Br)c1[C@H](Br)[C@@H]1COCCC1(F)F 2365177655 BYXAKTCATZZEHX-OIBJUYFYSA-N 480.944 5.767 50 10 JKGE COc1c(Br)cc(C)c([C@@H](Br)[C@H]2[C@H]3C[C@@H]4[C@H]2[C@@H]4C3)c1Br 2365217053 AGXJZPFQGUHFTL-IYYPSRFLSA-N 465.023 5.867 50 10 JKGE COc1cc(F)c([C@H](Br)c2ccc(Cl)cc2I)c(F)c1 2365599642 WZUASAFWBKYWIK-CQSZACIVSA-N 473.482 5.716 50 10 JKGE FC(F)(F)c1ccc(CBr)c(Oc2cccc(I)c2)n1 2369883720 BKKCGECOLCTPAH-UHFFFAOYSA-N 458.015 5.392 50 10 JKGE Cc1ccc(C[C@@H]2S/C(=C(\C#N)C(=O)NCc3ccccc3)N(c3ccc(C)cc3)C2=O)cc1 934933 AMPNWXBBLXGXLE-CHTIKVTKSA-N 467.594 5.046 50 10 JKGE N#C/C(=C/c1cn(CC(=O)Nc2ccccc2)c2ccccc12)c1ccc(Br)cc1 1101690 FQBMAKGGBCADAS-RGEXLXHISA-N 456.343 6.107 50 10 JKGE CC(C)(C)c1ccc(C(=O)Nc2ccc(C(=O)NNC(=O)/C=C/c3ccccc3Cl)cc2)cc1 13981284 BZGYWHDCHNQOAJ-SFQUDFHCSA-N 475.976 5.364 50 10 JKGE C/C(=N\NC(=O)CSc1nnc(SCc2ccc(Cl)cc2)s1)c1cccs1 19850419 NSKDJSIRLHCHAG-YBFXNURJSA-N 455.055 5.178 50 10 JKGE Cc1ccc(-c2nn(-c3ccccc3)cc2/C=N/NC(=O)[C@H](C)Oc2cccc(Cl)c2)cc1 20368421 GAVMLXNNUOESGG-DVQSINOTSA-N 458.949 5.419 50 10 JKGE Cc1ccc(C(=O)Nc2ccccc2C(=O)N/N=C/c2ccc(Cl)cc2Cl)cc1[N+](=O)[O-] 20395833 YYDWYCZIDJJSKY-BRJLIKDPSA-N 471.300 5.226 50 10 JKGE N#C/C(=C/c1ccccc1OC(=O)c1cccc2ccccc12)C(=O)Nc1ccccc1[N+](=O)[O-] 33719729 TWRSOSHQIRGDGG-SILNSSARSA-N 463.449 5.513 50 10 JKGE N#C/C(=C/c1ccc(-c2ccc(SC(F)F)cc2)o1)C(=O)Nc1nc(-c2cccs2)cs1 33725595 NTRLABORLLEZRT-UVTDQMKNSA-N 485.562 6.992 50 10 JKGE CC(C)CCOc1ccc(-c2nn(-c3ccccc3)cc2/C=C(/C#N)c2nc3ccccc3s2)cc1 33924591 ICWNCRXQWYBBPW-NKFKGCMQSA-N 490.632 7.638 50 10 JKGE CC(C)c1ccc(O[C@@H](C)C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@@H]3c2ccc(Cl)cc2)cc1 38651415 MXNFODLJJJOZNS-MRDQGFSESA-N 488.971 6.054 50 10 JKGE CCOc1cccc(C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@H]3c2c(F)cccc2Cl)c1 38680553 OKHFICALYMPERY-QFIPXVFZSA-N 464.880 5.315 50 10 JKGE N#C/C(=C\c1ccc(OC(=O)/C=C/c2ccccc2)cc1)c1nc(-c2ccc(F)cc2)cs1 39868037 KXIHIYPHIYFBLC-UKEVSBBWSA-N 452.510 6.632 50 10 JKGE O=C(CCCNc1ccc(Br)cc1)N/N=C/c1ccc(OCc2ccccc2)cc1 58835088 PQDHMWKZJLRHPC-WPWMEQJKSA-N 466.379 5.371 50 10 JKGE CCOc1cc(/C=C(/C#N)C(=O)Nc2ccc(Cl)c(Cl)c2)ccc1OCc1ccccc1F 59117517 YBJJXZXWLJRVIA-WQRHYEAKSA-N 485.342 6.656 50 10 JKGE C/C(=N\NC(=O)CSc1nnc(-c2cccnc2)n1-c1ccccc1)C12CC3CC(CC(C3)C1)C2 59261186 YACSNNHVIMLBSQ-RDRPBHBLSA-N 486.645 5.130 50 10 JKGE C[C@H](NC(=O)/C(C#N)=C/c1ccccc1OCc1ccc(Cl)c(Cl)c1)c1ccccc1 59292122 FOMXPMJSZIQTCK-JPOGYNCRSA-N 451.353 6.357 50 10 JKGE C[C@@H]1CCCC[C@H]1NC(=O)[C@@H](c1ccc(Cl)cc1)N(CCc1ccccc1)C(=O)CCl 97914290 CEMAYZVIVXQAJG-IHLLOCCUSA-N 461.433 5.386 50 10 JKGE CCCN1C(=O)C(C#N)=C(C)/C(=C\c2cn(-c3ccccc3)nc2-c2cc(C)c3c(c2)C[C@H](C)O3)C1=O 101332862 SQXWBCOLOUQLIQ-QVWJKXSPSA-N 492.579 5.173 50 10 JKGE Fc1ccc(C[C@H](CBr)c2ccc(Br)cc2)c(Br)c1 118657838 ROOJWWWYOLBNPR-GFCCVEGCSA-N 450.971 6.072 50 10 JKGE CC(C)c1ccc([C@@H](Br)c2cc(Br)c(Br)s2)c(C(C)C)c1 128550355 UOGIJHCXCSVGRL-MRXNPFEDSA-N 495.118 8.004 50 10 JKGE Cc1cc(Br)cc([C@@H](Cl)c2cc(Br)c(C)cc2Br)c1 132025606 JKQYUPMBNBCHPW-OAHLLOKOSA-N 467.426 6.919 50 10 JKGE O=C(c1cc(Br)ccc1Br)N(CCBr)C1CCCCC1 161194484 ICQIPYVIXALQHM-UHFFFAOYSA-N 468.027 5.381 50 10 JKGE Fc1cccc(C(CBr)(CBr)Cc2ccc(Br)cn2)c1 169004092 MEHDVGRCDQLVLO-UHFFFAOYSA-N 465.986 5.254 50 10 JKGE Nc1ccccc1C(=O)N/N=C\c1ccc(-n2nc(-c3ccccc3)cc2-c2ccccc2)cc1 169894018 MOCNTQMEJVOWIN-GTWSWNCMSA-N 457.537 5.552 50 10 JKGE O=C(N/N=C/c1cccc(Cl)c1Cl)c1cc(-c2ccccc2)nc(N2CCCCC2)n1 169927499 ZFWZEOPSXTYXLF-CVKSISIWSA-N 454.361 5.205 50 10 JKGE O=C(CSc1nc2ccccc2s1)NN=Cc1ccc(OCc2cccc(Cl)c2)cc1 252640223 YRNKJTINOXSUMP-UHFFFAOYSA-N 468.003 5.771 50 10 JKGE CO[C@@H]1CCCC[C@@H]1Oc1c(Br)cc(CBr)cc1Br 312056537 FWLALTUVWRWMMW-OLZOCXBDSA-N 457.000 5.443 50 10 JKGE C[C@H](Cl)c1nc2cc(I)c(F)cc2n1C(C)(C)COCc1ccccc1 389944665 LCAMHNCYIHXWKE-ZDUSSCGKSA-N 486.756 6.032 50 10 JKGE N#CSc1ccc(NC(=O)c2ccc(NC(=O)N3CCC(Cc4ccccc4)CC3)cc2)cc1 586663278 YUZGSDQSNKHNGX-UHFFFAOYSA-N 470.598 5.999 50 10 JKGE CC[C@H](Br)c1nnc(-c2ccc(I)c(Br)c2)s1 721576679 HHTASWSWQJUGAT-ZETCQYMHSA-N 487.986 5.418 50 10 JKGE COc1ccc([C@@H](Br)c2ccc(I)c(Br)c2)c(C)c1 721605971 UVUWSFOJENDZKH-HNNXBMFYSA-N 495.980 5.855 50 10 JKGE Cc1sc(Br)cc1[C@@H](Br)c1cccc(F)c1I 721672172 JXJMIBMKMDTZNA-NSHDSACASA-N 489.973 6.047 50 10 JKGE Cc1cc(C=NNC(=O)CSCc2ccccc2Br)c(C)n1-c1ccccc1Cl 1083939971 KXKDEKUVSXPUAM-UHFFFAOYSA-N 490.854 5.894 50 10 JKGE Cc1ccc(CSCC(=O)NN=Cc2cc(C)n(-c3cccc(Cl)c3Cl)c2C)cc1 1084024958 FCOODAVRVUWOSL-UHFFFAOYSA-N 460.430 6.093 50 10 JKGE Cc1cc(C=NNC(=O)c2ccc(Cl)cc2Cl)c(C)n1-c1ccc(Cl)cc1Cl 1084158658 XDHFUEABDMCISN-UHFFFAOYSA-N 455.172 6.472 50 10 JKGE O=C(CSc1c(Cl)c(Cl)c(Cl)c(Cl)c1Cl)NN=Cc1ccc2c(c1)OCO2 1084178802 XWWXWIOFUHLHPS-UHFFFAOYSA-N 486.591 5.925 50 10 JKGE Cc1ccc(C(=O)NN=C2CCCc3oc(C(=O)NN(c4ccccc4)c4ccccc4)c(C)c32)cc1 1772745062 RANMVBQBBZMDKH-UHFFFAOYSA-N 492.579 5.850 50 10 JKGE Cc1c(Cl)cccc1NC(=O)c1oc2c(c1C)C(=NNC(=O)c1cccc(Cl)c1)CCC2 1772746015 NVMMXNRXVILRTO-UHFFFAOYSA-N 470.356 5.926 50 10 JKGE Cc1cc(C)cc(OC(=O)c2oc3c(c2C)C(=NNC(=O)c2ccc(Cl)cc2Cl)CCC3)c1 1772749115 WTTCZWNIPMZFRT-UHFFFAOYSA-N 485.367 6.201 50 10 JKGE CC(C)CCC[C@H](C)[C@@H]1CC[C@H]2[C@@H]3CC=C4C[C@@H](OC(=O)CCCCl)CC[C@]4(C)[C@H]3CC[C@]12C 1848665398 FWOCLQPBUVEXDS-XLCVYOQESA-N 491.200 8.959 50 10 JKGE CCc1nn(Cc2c(F)cccc2Cl)c2c1[C@@H](c1cccc(Br)c1)C(C#N)=C(N)O2 1865683636 GSWKUZVBLDPVFZ-IBGZPJMESA-N 487.760 5.267 50 10 JKGE N#CC1=C(N)Oc2c(c(C(F)(F)F)nn2Cc2cccc(Cl)c2)[C@@H]1c1c(F)cccc1Cl 1865685246 GZDUCDHXQSKDBW-HNNXBMFYSA-N 483.252 5.614 50 10 JKGE CCCn1nc(-c2ccccc2)c2c1OC(N)=C(C#N)[C@@H]2c1cc(Br)c(O)c(OCC)c1 1865688638 XOVBGTTZKDVVGT-IBGZPJMESA-N 495.377 5.045 50 10 JKGE N#CC1=C(N)Oc2c(c(-c3ccccc3)nn2Cc2cccc(Cl)c2)[C@@H]1c1ccccc1[N+](=O)[O-] 1865710048 NINGEVSHFOLIIH-JOCHJYFZSA-N 483.915 5.378 50 10 JKGE CCCCCCOC(=O)c1ccc(NC(=O)/C(C#N)=C/c2ccc(Br)cc2)cc1 1866129044 ZKSCTXCEVSWABD-XDJHFCHBSA-N 455.352 5.732 50 10 JKGE C[C@@H](Oc1ccc(Cl)cc1Cl)/C(O)=C(\C#N)c1nc(-c2ccc3ccccc3c2)cs1 1872745328 HSFUMBVNOWQDMW-GYXJVLCKSA-N 467.377 7.530 50 10 JKGE CCCCc1ccc(N2C[C@@H](/C(O)=C(\C#N)c3nc(-c4ccc(C)cc4)cs3)CC2=O)cc1 1872749313 LEQIGKCOKQICRO-QGPJFTJVSA-N 457.599 6.307 50 10 JKGE COc1c(Cl)cc(-c2csc(/C(C#N)=C(\O)Cc3ccccc3Cl)n2)cc1Cl 1872755933 MJIHRLSMWIGRCD-AQTBWJFISA-N 451.762 6.814 50 10 JKGE Cc1cc(C)c(-c2csc(/C(C#N)=C(\O)CNC(=O)c3ccc(Cl)cc3Cl)n2)c(C)c1 1872757014 MIDCZIWGJOZRQJ-JZJYNLBNSA-N 472.397 6.265 50 10 JKGE CCOc1cc(/C=C(\C#N)c2nc(-c3ccc(Cl)cc3)cs2)ccc1OCc1ccccc1C 1872790058 HZZNUIBCINVJSH-OEAKJJBVSA-N 487.024 7.814 50 10 JKGE Cc1cc(-c2csc(/C(C#N)=C/c3ccc(OCc4ccccc4Cl)cc3)n2)ccc1F 1872790932 MGJHWCFYVLUWTE-FYJGNVAPSA-N 460.961 7.554 50 10 JKGE CCCCCCOc1ccc(/C=C(\C#N)c2nc(-c3cc(Cl)cc(C)c3OC)cs2)cc1OC 1872794229 QBAGRDVTCVDQJV-DEDYPNTBSA-N 497.060 7.812 50 10 JKGE Cc1cc(C)c([C@@H](Br)c2c(C)nsc2Br)c(C)c1Br 1912975824 QJWMRTDAQSZEBD-CYBMUJFWSA-N 468.052 6.386 50 10 JKGE CC[C@@H](Cl)CN(Cc1ccccc1)S(=O)(=O)c1c(Cl)cc(Br)cc1Cl 1915106656 SKLFVIFSIBSFDD-CQSZACIVSA-N 485.658 5.964 50 10 JKGE Fc1ccc([C@@H](Br)c2sc(Br)cc2Br)cc1C(F)(F)F 1922894428 ZSZRXWLDWHAVEV-SNVBAGLBSA-N 496.943 6.915 50 10 JKGE Cc1c(Br)sc([C@@H](Br)c2cc(Cl)cc(F)c2F)c1Br 1922907191 RBAGRBZLPWQLDS-VIFPVBQESA-N 495.408 6.997 50 10 JKGE Cc1c(Br)sc([C@@H](Br)[C@@]23CCC[C@@H](C2)OC3)c1Br 1925061416 LNXHXJDHHFRNPR-KDDOJWQBSA-N 459.041 5.977 50 10 JKGE Cl[C@@H](c1ccc(Br)s1)c1csc(Br)c1Br 1930628300 VZINYJVUVPQOJC-MRVPVSSYSA-N 451.430 6.425 50 10 JKGE Brc1ccc(CC[C@@H](Br)COCc2ccccc2)c(Br)c1 1934523078 KHUXWFYGPIPIML-MRXNPFEDSA-N 477.034 6.125 50 10 JKGE Clc1ccccc1C[C@@H](Br)c1csc(Br)c1Br 1945183782 NKTJEPBVDVFWGU-SECBINFHSA-N 459.428 6.605 50 10 JKGE Fc1cc(Cl)c([C@H](Br)c2cc(I)sn2)cc1Cl 2024600891 KNPHXGLVKYTRSO-JTQLQIEISA-N 466.928 5.678 50 10 JKGE CC1(C)CC[C@@H](Br)CN1C(=O)c1cc(Br)c(Br)s1 2038525476 PGZGALWGZFKOSA-SSDOTTSWSA-N 460.029 5.051 50 10 JKGE CCN(Cc1ccccc1)c1ccc(C=C(C#N)c2nc(O)c3c4c(sc3n2)C[C@@H](C)CC4)cc1 2040446487 INTAMBBWVKNYTJ-IBGZPJMESA-N 480.637 6.612 50 10 JKGE COc1cc(C=C(C#N)c2nc3ccccc3n2C)ccc1OCC(=O)Nc1c(C)cc(C)cc1C 2040446723 KPRYXEMTKWOKHA-UHFFFAOYSA-N 480.568 5.589 50 10 JKGE CCCCC[C@@H](C)Cn1c(SCC(=O)C(C#N)=C(C)N)nnc1-c1ccc(C(C)(C)C)cc1 2042437909 GREZDXUNHIEVHM-GOSISDBHSA-N 467.683 5.876 50 10 JKGE C[C@H]1Cc2cc([C@@H](Br)c3cscc3Br)cc(Br)c2O1 2090469754 IBAAFTTUIPIVAD-WPPNPWJKSA-N 467.020 6.081 50 10 JKGE FC1(F)C2(CCC2)[C@]1(CBr)Cc1ccc(Br)cc1Br 2093475174 YOPDURKCHXSSFU-CYBMUJFWSA-N 458.966 5.955 50 10 JKGE Clc1ccc(I)c(CN2CC3(CCC3)C[C@H]2CBr)c1 2095169313 XLQSBNSBTDXZBV-ZDUSSCGKSA-N 454.577 5.084 50 10 JKGE Cn1nc(C[C@@H](CBr)c2ccccc2Br)c(Br)c1Cl 2096680450 CSVSKQNRSMCBDZ-QMMMGPOBSA-N 471.418 5.320 50 10 JKGE C[C@H]1C[C@@H](n2c(CCl)nc3cc(Cl)c(Br)cc32)CN1Cc1ccccc1 2112690743 JCFDFEMNYJPNGZ-DZGCQCFKSA-N 453.211 6.027 50 10 JKGE CO[C@H]1C[C@H]([C@@H](Cl)c2c(Br)sc(Br)c2Br)C[C@H]1OC 2118284682 CSBKHDOZLWIBPG-QGOVLLJGSA-N 497.474 5.756 50 10 JKGE CC1(C)CC[C@H](Cl)[C@@H](CNc2ncc(I)cc2Br)C1 2133383484 FEFJRHYWBMTOGO-SKDRFNHKSA-N 457.581 5.294 50 10 JKGE CC1(C)C[C@@](C)(CBr)CN1Cc1ccc(Br)cc1Br 2134834150 RKAKZHXAYOWAHS-HNNXBMFYSA-N 454.044 5.597 50 10 JKGE Fc1cc(Br)ccc1C[C@H](Cl)c1ccc(Br)cc1Br 2138873361 OZDHFWJAHVFZSL-ZDUSSCGKSA-N 471.389 6.636 50 10 JKGE BrCc1ccc(N2CCc3sc(Br)cc3C2)cc1Br 2141426049 LJXLNWUSWOXWEV-UHFFFAOYSA-N 466.036 5.731 50 10 JKGE BrC[C@H]1CCC2(CCC2)CN1Cc1cccc(Br)c1Br 2152060685 JXXLGJMHPSMHLD-CYBMUJFWSA-N 466.055 5.741 50 10 JKGE ClCCc1nc2cc(Cl)c(Br)cc2n1Cc1cnn(Cc2ccccc2)c1 2169015598 OPWIXNRAZWMUNY-UHFFFAOYSA-N 464.194 5.527 50 10 JKGE Fc1cc(Oc2cc(Br)cc(F)c2CBr)c(Cl)cc1Br 2170692227 PSHCGHSIPNFABD-UHFFFAOYSA-N 491.351 6.830 50 10 JKGE CC(F)(F)c1ccc([C@H](Br)c2c(Cl)sc(Br)c2Cl)cc1 2184813851 BJXOOMKBCVVYPS-VIFPVBQESA-N 464.984 7.413 50 10 JKGE Cc1nn(C)c(Br)c1[C@H](Br)c1cc(Cl)c(Cl)c(Cl)c1Cl 2185752579 FNDDPPQFYGVOPB-MRVPVSSYSA-N 481.830 6.589 50 10 JKGE Cc1cc(Br)c(C)c([C@H](Br)[C@@H]2CC[C@@H]3[C@H]2C3(F)F)c1Br 2201080171 WVLULHMJRJHATI-HNCHUZPSSA-N 472.993 6.556 50 10 JKGE C[C@@H]1CC[C@@H](c2sc(Br)c(Br)c2Br)C[C@@H]1Cl 2212199324 BHBOINKMENVGMS-QYNIQEEDSA-N 451.449 6.547 50 10 JKGE Cc1ccc([C@@H](Cl)c2cc(Cl)c(Br)s2)cc1I 2212993387 XOHPIOWTSGLSAI-LLVKDONJSA-N 461.977 6.405 50 10 JKGE Cc1cc([C@@H](Cl)c2c(C)sc(Br)c2C)ccc1I 2218808995 VAQXIBWIXIOHDA-CYBMUJFWSA-N 455.586 6.369 50 10 JKGE Cc1cc(Br)c([C@H](Br)c2csnc2C)c(C)c1Br 2220149419 MIRDFHRUTSBGMF-CYBMUJFWSA-N 454.025 6.078 50 10 JKGE Fc1cc(Br)c(Br)cc1[C@@H](Cl)c1c(Cl)cccc1Br 2225615494 HZZNFEYLZFGDIL-CYBMUJFWSA-N 491.807 7.095 50 10 JKGE Cc1c(Br)sc([C@H](Br)c2c(F)ccc(Cl)c2F)c1Br 2226586730 SVZFVFVGDLBQBG-SECBINFHSA-N 495.408 6.997 50 10 JKGE CCOCc1cc(Br)c([C@@H](Br)c2sc(C)cc2Br)s1 2229318134 QJXULQWJSHBTCB-NSHDSACASA-N 489.092 6.664 50 10 JKGE FC(F)(F)[C@@H]1CCO[C@H]1[C@H](Cl)c1c(Br)sc(Br)c1Cl 2231815048 UPFAUVBIYIEHBJ-HGWBJXFBSA-N 462.940 6.174 50 10 JKGE FC(F)(F)[C@@H]1CC[C@H]1COc1c(Br)cc(CBr)cc1Br 2232684972 KBURGUNPJFPMEV-DTWKUNHWSA-N 480.944 6.074 50 10 JKGE ClCc1nc2cc(Br)c(Br)cc2n1Cc1coc(Br)c1 2234063633 DUVYJNLFBADIIY-UHFFFAOYSA-N 483.385 5.704 50 10 JKGE COc1cc(Br)c([C@@H](Br)c2cc(C)ccc2Br)cc1C 2236007769 KTYORMBQLMBHGR-INIZCTEOSA-N 463.007 6.321 50 10 JKGE CCn1cc(Br)c([C@H](Br)c2c(F)cc(F)c(Br)c2F)n1 2236109670 NMQDRAXGRPBWAZ-SNVBAGLBSA-N 476.916 5.330 50 10 JKGE COc1cc(Cl)c(Cl)cc1[C@H](Br)c1csc(I)c1 2253421798 DXBWAGAALYRMEY-GFCCVEGCSA-N 477.976 6.152 50 10 JKGE COc1cc(Cl)c([C@@H](Br)c2cc(Br)co2)cc1Br 2258147375 LOSVKLQEEBQBSI-GFCCVEGCSA-N 459.359 5.951 50 10 JKGE CC(C)CN(C[C@@H](C)Br)C(=O)c1cc(Br)sc1Br 2259767704 CKKIWLJIUIQTGE-MRVPVSSYSA-N 462.045 5.155 50 10 JKGE Fc1cc(Br)c(F)c(Br)c1[C@@H](Cl)c1ncsc1Br 2260082273 AIJLDWPITPXTIA-SSDOTTSWSA-N 482.369 6.037 50 10 JKGE Cc1cc(F)c(Cl)cc1[C@H](Br)c1c(F)cccc1I 2267745678 YTBNTQSCALIRTG-AWEZNQCLSA-N 457.483 6.016 50 10 JKGE Cl[C@H](c1ccc(C2CCC2)s1)c1ccc(Br)cc1I 2271979151 NTSNMXNDYPJNAX-HNNXBMFYSA-N 467.597 6.711 50 10 JKGE Fc1cccc([C@H](Br)Cc2cc(Br)cc(Br)c2)c1Cl 2277966049 PNSCPPMSYSLJSM-GFCCVEGCSA-N 471.389 6.683 50 10 JKGE N#CC(C(=O)Nc1ccc(Cl)cc1)=C1S[C@H](Cc2ccccc2)C(=O)N1c1ccc(Cl)cc1 2293039127 FVDFSJBWUVLYMJ-JOCHJYFZSA-N 494.403 6.058 50 10 JKGE CC(C)(C)OC(=O)NCC[C@H](N(CCCCCCCBr)C1CC1)C(F)(F)F 2294698158 GSTHZTGJENMURX-INIZCTEOSA-N 459.391 5.642 50 10 JKGE COc1ccc([C@@H](Br)c2csc(Br)c2Br)c(OC)c1C 2295423438 JNRIFMSTIIOXBL-LLVKDONJSA-N 485.035 6.083 50 10 JKGE Cc1cccc(C[C@@H]2SC(=C(C#N)C(=O)Nc3cccc(C)c3C)N(c3ccccc3)C2=O)c1 2296048023 GVTGAHPAJOWFBX-VWLOTQADSA-N 467.594 5.677 50 10 JKGE CCOC(=O)c1c(NC(=O)C(C#N)=Cc2cn(CCC#N)c3ccccc23)sc2c1CC[C@H](C)C2 2296819023 LQBRVHKIPCXOEJ-KRWDZBQOSA-N 486.597 5.464 50 10 JKGE COc1cccc(CSC(Nc2c(C)cc(C)cc2C)=C(C#N)S(=O)(=O)c2ccccc2)c1 2297350185 WPWQFEPRMLDAGD-UHFFFAOYSA-N 478.639 6.132 50 10 JKGE N#CC(=Cc1ccc(OC(=O)c2ccc(Br)s2)cc1)c1nc2ccccc2s1 2297476797 BCRQKHAIWHFQCP-UHFFFAOYSA-N 467.369 6.404 50 10 JKGE Cn1c([C@H](Br)c2cc(Br)ccc2OCc2ccccc2)cnc1Cl 2299502133 UNAFXYWQNFBNGR-QGZVFWFLSA-N 470.592 5.899 50 10 JKGE C=CCOc1c(I)cc(C=C(C#N)C(=O)Nc2cccc(C)c2)cc1OCC 2313518488 FVNRSQHEFXVZNJ-UHFFFAOYSA-N 488.325 5.109 50 10 JKGE CCOc1cc(C=C(C#N)C(=O)Nc2sc3c(c2C#N)CCCC3)c(Br)cc1OC 2313630331 GIAXICDFJWFYDM-UHFFFAOYSA-N 486.391 5.214 50 10 JKGE CC[C@]12CO[C@]([C@@H](Br)c3cc(Br)ccc3OCc3ccccc3)(C1)C2 2314442645 CMBKIFXDWAYMKY-PCCBWWKXSA-N 466.213 6.423 50 10 JKGE Cc1cc(Cl)cc([C@@H](Br)c2ccc(OCc3ccccc3)cc2Br)c1 2314450342 YFXFOJCHMODUTB-OAQYLSRUSA-N 480.627 7.474 50 10 JKGE Brc1cc(OCc2ccccc2)ccc1[C@@H](Br)CC[C@@H]1CCCCO1 2314499392 CCLLSGNBLYIGQQ-PXNSSMCTSA-N 468.229 6.813 50 10 JKGE N#CC1=C(N)Oc2cc(OC(=O)C=Cc3ccccc3Cl)ccc2[C@@H]1c1ccc(Cl)c(Cl)c1 2314634637 ROBJEMBFZDSHHX-DEOSSOPVSA-N 497.765 6.484 50 10 JKGE CCCc1sc(Br)cc1[C@@H](Br)c1ccc(OCc2ccccc2)cc1 2316174242 XRRASUVZTGQRCH-NRFANRHFSA-N 480.265 7.526 50 10 JKGE COc1ccc([C@@H](Cl)c2sc(Cl)cc2I)cc1Br 2316775331 QXKIBLFLHSGRFN-LLVKDONJSA-N 477.976 6.105 50 10 JKGE COCc1cc(Br)c([C@H](Br)c2csc(C)c2Br)s1 2320479562 XPUGPUCOAJSMHK-LLVKDONJSA-N 475.065 6.274 50 10 JKGE Fc1cc([C@@H](Cl)c2sc(Cl)cc2I)c(Cl)cc1Cl 2326686545 VVGMXTNIFQZRCG-SNVBAGLBSA-N 455.934 6.780 50 10 JKGE COc1ccc([C@@H](NC(=O)C(C#N)=Cc2ccc(Br)cc2)c2nc(C)cs2)cc1 2329658791 SJKNJULQEWJVDF-HXUWFJFHSA-N 468.376 5.035 50 10 JKGE Brc1ccc(CN2CC[C@H]3CC[C@@H](Br)[C@@H]2C3)c(Br)c1 2330962751 IFLNVLHZFHRWRD-YVLXSGLVSA-N 452.028 5.350 50 10 JKGE Cc1cc(OCC(O)=C(C#N)c2nc(-c3cccc(Br)c3)cs2)cc(C)c1Cl 2331278748 FHTALNYMRMPUSF-UHFFFAOYSA-N 475.795 6.715 50 10 JKGE CC(C)N1C(=O)c2ccc(C(O)=C(C#N)c3nc(-c4ccc(Cl)c(Cl)c4)cs3)cc2C1=O 2331311479 MDYBMDFOGICBIV-UHFFFAOYSA-N 484.364 6.071 50 10 JKGE COc1ccc(-c2csc(C(C#N)=C(O)c3cc([N+](=O)[O-])cc([N+](=O)[O-])c3)n2)cc1Cl 2331399376 DFBAJNGEZMSIPP-UHFFFAOYSA-N 458.839 5.238 50 10 JKGE C[C@@H](c1ccccc1)N1C[C@H](C(O)=C(C#N)c2nc(-c3ccc(Cl)s3)cs2)CC1=O 2331402198 YZUWEPRSCJZNLF-DZGCQCFKSA-N 455.992 5.927 50 10 JKGE COc1ccc(Cl)cc1-c1csc(C(C#N)=C(O)[C@@H]2CC(=O)N(Cc3ccccc3)C2)n1 2331410766 AGKMQSBSIKWTNA-MRXNPFEDSA-N 465.962 5.313 50 10 JKGE CCOc1c(Br)cc(C=C(C#N)c2nc(-c3c(C)c(C)cc(C)c3C)cs2)cc1OC 2331468493 QUOQCJKAUZSZQR-UHFFFAOYSA-N 497.458 7.278 50 10 JKGE CCOc1cc(C=C(C#N)c2nc(-c3cc(C)c(OC)cc3C)cs2)cc(Br)c1O 2331484603 SOHXASTVMMOFSB-UHFFFAOYSA-N 485.403 6.367 50 10 JKGE Cc1cc(Br)c([C@@H](Br)[C@@H]2CO[C@]3(C)C[C@H]2C3)cc1Br 2337698754 XESUWZWHMXSXKD-VGKMCQHDSA-N 453.012 5.771 50 10 JKGE Fc1ccc(C(F)F)c([C@@H](Br)c2sc(Cl)cc2I)c1 2338561992 GKJMFXCVKMXEOQ-SNVBAGLBSA-N 481.502 6.567 50 10 JKGE CCN(C[C@@](C)(CBr)OCc1ccc(Cl)c(Cl)c1C)C(=O)OC(C)(C)C 2339518127 WCUJVNLNFZVSRI-LJQANCHMSA-N 469.247 6.229 50 10 JKGE COc1c(Br)cc(C)c([C@H](Br)[C@H]2CCO[C@H]2C)c1Br 2339651836 SRFKYYSXLLDRDX-HOTUBEGUSA-N 457.000 5.390 50 10 JKGE ClC[C@H](OCCCc1cc(Cl)cc(Cl)c1)[C@@H](I)CCl 2341219311 NFGQSNALPACPGV-STQMWFEESA-N 455.978 5.592 50 10 JKGE Brc1cc2c(cc1[C@H](Br)c1ncsc1Br)CCCO2 2343586210 RNNVYJOUMYCYJT-NSHDSACASA-N 468.008 5.477 50 10 JKGE CC(C)(C)[C@@](C)(CBr)COCc1cc(I)ccc1Cl 2352272823 HVYPZFVGZCAVHA-HNNXBMFYSA-N 459.593 5.909 50 10 JKGE Cc1c(Br)sc([C@@H](Br)[C@@H]2C[C@@H]3CCCCCC[C@@H]32)c1Br 2354875429 SVFLUXJLGWLYKJ-FMSGJZPZSA-N 485.123 7.624 50 10 JKGE Cc1ccc(F)c([C@@H](Br)c2c(Cl)cc(Br)c(F)c2Br)c1 2362229617 KZRKBCXXAUABRB-GFCCVEGCSA-N 489.379 6.936 50 10 JKGE Clc1ccc(C[C@@]2(CBr)CCCCC23CCC3)c(I)c1 2366711150 UAKQBJOBLJAQTF-QGZVFWFLSA-N 467.616 6.613 50 10 JKGE Clc1ccc(I)cc1CN1CCC[C@]2(CBr)CCC[C@H]12 2380508364 GJEQDHVPUWTYTG-HOTGVXAUSA-N 468.604 5.474 50 10 JKGE C=CCOc1ccccc1/C=C(/C#N)C(=O)Nc1ncc(Cc2cccc(C(F)(F)F)c2)s1 2553610 IVEXLWXWCUBJIE-AQTBWJFISA-N 469.488 5.863 50 10 JKGE O=C(NCCc1ccccc1)[C@@H](c1ccccc1F)N(C(=O)CCl)c1ccccc1Cl 3034993 GOMQBVVDHUERDB-HSZRJFAPSA-N 459.348 5.151 50 10 JKGE O=C(N/N=C/c1ccc(Sc2nc3ccc([N+](=O)[O-])cc3s2)c([N+](=O)[O-])c1)c1ccc(F)cc1 3096129 MIBPHUIMTCEHEY-FOKLQQMPSA-N 497.489 5.167 50 10 JKGE CCOc1cc(/C=C(/C#N)C(=O)Nc2ccc(Cl)cc2[N+](=O)[O-])ccc1OCc1ccc(F)cc1 6600601 UNIVNWFFEDJAFT-WQRHYEAKSA-N 495.894 5.911 50 10 JKGE CCCCCCOc1ccc(C(=O)NNC(=O)c2cccc(OCCc3ccccc3)c2)cc1 10331828 HNHUHAWCMJFVMJ-UHFFFAOYSA-N 460.574 5.342 50 10 JKGE CCc1cccc(C)c1N/C(SCc1cccc(Cl)c1)=C(/C#N)S(=O)(=O)c1ccccc1 20325611 YVZDKAFHYIQBKP-WJTDDFOZSA-N 483.058 6.723 50 10 JKGE CC[C@H](Oc1ccc2ccccc2c1Br)C(=O)N/N=C/c1c(C)cc(C)cc1C 20572858 OINCUUNHNWFIIU-WMPMWDHYSA-N 453.380 5.835 50 10 JKGE N#C/C(=C/c1c(Oc2ccc(Cl)cc2)nc2ccccn2c1=O)S(=O)(=O)c1ccc(Cl)cc1 33483284 ZABHLCXDKQMPTB-UYRXBGFRSA-N 498.347 5.132 50 10 JKGE N#C/C(C(=O)NCCc1ccccc1)=C1\S[C@H](Cc2ccc(Cl)cc2)C(=O)N1c1ccccc1 33759212 YVVWARJMHCRGNS-GUNDDFSMSA-N 488.012 5.125 50 10 JKGE N#C/C(=C/c1ccc(OS(=O)(=O)c2ccc(Cl)cc2)cc1)c1nc2ccccc2s1 33803531 NOXLSBRCXSYYGF-SSZFMOIBSA-N 452.944 5.782 50 10 JKGE N#C/C(=C/c1ccccc1/C=C(/C#N)c1ccccc1Br)c1ccccc1Br 34703904 AUVGGBLKLLMPDE-AXPXABNXSA-N 490.198 7.340 50 10 JKGE N#C/C(=C\C(Br)=C/c1ccccc1)c1nc(-c2ccc(Br)cc2)cs1 34847636 MVEOJJPYPPBNEA-QIWNHNBFSA-N 472.205 6.916 50 10 JKGE CC1=C(C#N)C(=O)N(Cc2ccc(C)cc2)C(=O)/C1=C/c1ccc(-c2ccc(Cl)cc2Cl)o1 38608402 NZCBGSTVCGLRED-CIAFOILYSA-N 477.347 6.354 50 10 JKGE N#CC1=C(N)Oc2cc(OC(=O)c3ccc([N+](=O)[O-])cc3)ccc2[C@@H]1c1cccc2ccccc12 38657736 AOUZKDYZKOKGCV-VWLOTQADSA-N 463.449 5.185 50 10 JKGE N#CC1=C(N)Oc2cc(OC(=O)COc3ccc(Cl)cc3Cl)ccc2[C@@H]1c1cccc(F)c1 38677874 AIKRRVQWJMYJFD-QHCPKHFHSA-N 485.298 5.335 50 10 JKGE Cc1ccc(C(=O)N/N=C2\CCCc3oc(C(=O)Nc4ccc(Br)cc4)c(C)c32)cc1 40804728 ZRDCASWEFOCMDL-ZXVVBBHZSA-N 480.362 5.382 50 10 JKGE Cc1c(C(=O)Nc2ccc(F)cc2F)oc2c1/C(=N/NC(=O)c1ccc(Cl)cc1)CCC2 40811708 UZEYWEIDAUVWCK-MTDXEUNCSA-N 457.864 5.242 50 10 JKGE O=C(CC[C@@H](O)c1ccccc1)N/N=C\c1cc(Cl)c(OCc2cccc(F)c2)c(Cl)c1 58889422 BWXDFDZATQYQPP-MGCJZSHXSA-N 475.347 5.675 50 10 JKGE Cc1cccc(COc2ccc(/C=C(/C#N)C(=O)Nc3sc4c(c3C#N)CCCC4)cc2)c1 59116620 UZBDXFWNCBFRAN-STZFKDTASA-N 453.567 5.932 50 10 JKGE Cc1nc2ccccn2c1C(=O)N/N=C/c1cc(Br)ccc1OCc1ccccc1Cl 59168979 DPXAVIWAKKHTDP-LGJNPRDNSA-N 497.780 5.402 50 10 JKGE O=C(CCl)Nc1ccc2nc(SCC(=O)n3c4c(c5ccccc53)CCCC4)sc2c1 59434520 BPJZDNOLBABASA-UHFFFAOYSA-N 470.019 5.740 50 10 JKGE CS(=O)(=O)N(CC(=O)NN=C1CCCCCCCCCCC1)c1ccc2c3c(cccc13)CC2 59464055 GBKCTUOFVGOJEL-UHFFFAOYSA-N 483.678 5.481 50 10 JKGE CCOc1cc(/C=N/NC(=O)c2cc3cc(Br)ccc3o2)cc(Cl)c1OC 59680200 OMOFGSFJQCXAOV-LSHDLFTRSA-N 451.704 5.020 50 10 JKGE Cl[C@H]1C[C@@H](Oc2c(Br)cc(Br)cc2Br)C12CCCCC2 97646525 IVVOHPJHBGCBJN-QWHCGFSZSA-N 487.457 6.683 50 10 JKGE Cc1ccc(Br)c([C@H](Br)c2cc(Cl)c(Br)cc2F)c1 97895973 LQRJUSIRJLKNDY-AWEZNQCLSA-N 471.389 6.797 50 10 JKGE Fc1cc(Br)c(Cl)cc1[C@@H](Br)c1ccc(Br)cc1Cl 97896097 UZFFEIGDGVMMBK-ZDUSSCGKSA-N 491.807 7.142 50 10 JKGE CCCCc1ccc(NC(=O)/C(C#N)=C\c2cn(CCC#N)nc2-c2ccc(OC)cc2)cc1 97990537 KEKVNQOKLKQUQU-XLNRJJMWSA-N 453.546 5.361 50 10 JKGE CNC(=O)/C(C#N)=C1\S[C@H](Cc2ccc(Cl)cc2Cl)C(=O)N1c1ccc(C(C)C)cc1 101240544 MTZDVJAUAKZWFP-SEDGDDRASA-N 474.413 5.289 50 10 JKGE CCCCN1C(=O)C(C#N)=C(C)/C(=C\c2cn(-c3ccccc3)nc2-c2cccc(OCCC)c2)C1=O 101333079 GVKFGVBBKQYNOI-NLRVBDNBSA-N 494.595 5.720 50 10 JKGE Cc1c(Cl)cccc1N/C(SCc1ccc(C#N)cc1)=C(\C#N)c1nc2ccccc2s1 105802139 CBYTUZVUKHIYSD-CLCOLTQESA-N 473.026 7.367 50 10 JKGE N#C/C(=C/c1ccc(Br)cc1)c1ccc(/C(C#N)=C\c2ccc(Br)cc2)cc1 108819330 OQBGVHBOOWMCPK-JZTLMNBPSA-N 490.198 7.340 50 10 JKGE COc1cc(Br)c([C@@H](Br)c2ccc(Br)cc2)cc1OC 109860189 GNXZQFKFAKKEDG-HNNXBMFYSA-N 464.979 5.713 50 10 JKGE Cc1cc(Br)c([C@@H](Cl)c2cccc(Br)c2C)cc1Br 128616641 MQRPTBFYVYCORM-HNNXBMFYSA-N 467.426 6.919 50 10 JKGE COc1cc(Br)c([C@H](Br)c2cccc(F)c2Br)cc1OC 156102206 GZPKYUJYCIBPAH-CQSZACIVSA-N 482.969 5.852 50 10 JKGE Fc1cccc(CC(CBr)(CBr)c2ccc(Cl)cc2)c1Br 157924357 AHGGFRLZRJZXSK-UHFFFAOYSA-N 499.443 6.512 50 10 JKGE CC(C)(C)c1ccc([C@H](Br)c2cc(Br)c(Br)s2)s1 165736866 GLJHBRSCLVDYFI-NSHDSACASA-N 473.093 7.116 50 10 JKGE CCOc1ccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)/C=C\c4ccccc4)ccc32)cc1OCC 205653206 KNQIQBUVXYZSNW-XCSIDFAFSA-N 482.536 5.321 50 10 JKGE CCCCCCOc1ccc(/C=C(/C#N)C(=O)Nc2cccc(C(=O)OCCCC)c2)cc1OC 206234284 NZHQMUMFBOMQBZ-QJOMJCCJSA-N 478.589 6.157 50 10 JKGE CCOc1cc(/C=C2\C(=O)N(Cc3ccco3)C(=O)C(C#N)=C2C)ccc1OCc1ccc(C)cc1 214320241 LVUHKPPQISSPGM-OYKKKHCWSA-N 482.536 5.358 50 10 JKGE N#C/C(=C/Nc1ccccc1Sc1ccccc1)C(=O)Nc1ccc(Oc2ccccc2)cc1 217210443 YJKPLKIOTTVNFM-MRCUWXFGSA-N 463.562 7.088 50 10 JKGE Brc1ccc(I)c([C@@H](Br)Cc2ccncc2)c1 232476229 RRZOHPMBJKOVFV-LBPRGKRZSA-N 466.942 5.127 50 10 JKGE C[C@@H]1CCC[C@](CBr)(NC(=O)c2cc(Cl)ccc2I)C1 235337496 CDXHANVERJCEMM-BMIGLBTASA-N 470.576 5.018 50 10 JKGE Cc1cc(F)cc(C)c1[C@H](Cl)c1cc(Br)ccc1I 235790193 BETGENNKMMKWQT-OAHLLOKOSA-N 453.520 6.138 50 10 JKGE BrCc1sc2ccc(I)cc2c1I 307445456 FNMGRQFQRBKJMO-UHFFFAOYSA-N 478.918 5.005 50 10 JKGE Brc1ccc([C@H](Br)c2cc3c(cc2Br)OCC3)s1 308419409 UFNLSRKDPSNTJG-CYBMUJFWSA-N 452.993 5.692 50 10 JKGE COc1ccc(Br)cc1[C@H](Br)c1cc(Br)c(Cl)s1 380658317 DDQHRGVQTNOVON-NSHDSACASA-N 475.427 6.419 50 10 JKGE C[C@@H](CCOCc1ccccc1)n1c([C@@H](C)Cl)nc2cc(I)ccc21 389672474 QCCNRTVWORXOGY-LSDHHAIUSA-N 468.766 6.109 50 10 JKGE Cc1ccc([C@H]2CN(C(=O)OC(C)(C)C)C[C@H]2CI)cc1Br 394699987 XPHBCUKEXTYYDB-ZIAGYGMSSA-N 480.184 5.143 50 10 JKGE COc1ccc2c(c1)nc([C@@H](C)Cl)n2CC1(N(Cc2ccccc2)Cc2ccccc2)COC1 705600065 FXQLOYWXESQNNX-OAQYLSRUSA-N 476.020 5.816 50 10 JKGE CCOc1ccc([C@@H](O)CCC(=O)NN=Cc2cc(C)n(-c3ccc(Cl)cc3)c2C)cc1 725426926 HZOLXBSTCFBEBQ-DEOSSOPVSA-N 453.970 5.110 50 10 JKGE Cc1ccccc1-n1c(C)c(Br)c(C=NNC(=O)[C@@H](C)SCc2ccccc2)c1C 725445968 PMSQNWVSOIXCSI-LJQANCHMSA-N 484.463 5.937 50 10 JKGE Cc1cc(/C=C(\C#N)C(=O)N2CCN(c3ccccc3)CC2)c(C)n1-c1ccccc1Br 1083895119 VXMQUVCCDRTFBV-OQKWZONESA-N 489.417 5.112 50 10 JKGE C=CCn1c(CNc2cccc3ccccc23)nnc1SCC(=O)NN=C(C)CCCC 1084276276 RFHNWSUFCSOJHI-UHFFFAOYSA-N 450.612 5.004 50 10 JKGE Cc1cc(-n2c(C)cc(C=NNC(=O)CC[C@@H](O)c3ccccc3)c2C)ccc1Br 1084307604 FGIZJDQDPJROQE-HSZRJFAPSA-N 468.395 5.129 50 10 JKGE CCOc1ccc(C(=O)NN=Cc2cc(Cl)c(OCc3cccc(Cl)c3)c(OCC)c2)cc1 1084615439 ZKXGNAPJAFXKJS-UHFFFAOYSA-N 487.383 6.134 50 10 JKGE O=C(N/N=C\c1ccc(Br)cc1F)c1ccc(-c2ccc3ccccc3c2)s1 1860774048 KTSFZOHKMAFSFT-MXAYSNPKSA-N 453.336 6.234 50 10 JKGE COc1ccc(-c2nn(-c3ccc(C)cc3)c3c2[C@@H](c2ccc(Cl)cc2)C(C#N)=C(N)O3)cc1 1865683499 LAOOAICVNFLGJU-QHCPKHFHSA-N 468.944 5.728 50 10 JKGE CCOc1cccc([C@H]2C(C#N)=C(N)Oc3c2c(-c2ccccc2)nn3Cc2ccc(Cl)cc2)c1 1865690530 UBRLQRBTUWKZEE-DEOSSOPVSA-N 482.971 5.869 50 10 JKGE CCCCOc1ccc([C@H]2C(C#N)=C(N)Oc3c2c(CC)nn3-c2ccc(Br)cc2)cc1 1865690683 YSOIJDNEAIULQD-QFIPXVFZSA-N 493.405 5.594 50 10 JKGE CCCc1nn(Cc2ccccc2Cl)c2c1[C@@H](c1cccc(OC)c1OCC)C(C#N)=C(N)O2 1865692456 GCJVGCMIBUJEFC-QFIPXVFZSA-N 478.980 5.163 50 10 JKGE N#CC1=C(N)Oc2c(c(-c3ccccc3)nn2Cc2ccc(Cl)c(Cl)c2)[C@H]1c1cccs1 1865698101 KRDMTQFTLRPRJR-HXUWFJFHSA-N 479.392 6.185 50 10 JKGE COc1ccc(-c2nn(Cc3cc(C)ccc3C)c3c2[C@@H](c2ccc(F)cc2F)C(C#N)=C(N)O3)cc1 1865702323 SOKQMQDKGXWAGV-VWLOTQADSA-N 498.533 5.720 50 10 JKGE CCc1nn(-c2ccc(Cl)c(Cl)c2)c2c1[C@@H](c1ccccc1OC(C)C)C(C#N)=C(N)O2 1865705362 TWIGFTDMMHTCJZ-NRFANRHFSA-N 469.372 5.747 50 10 JKGE COc1ccc(-n2nc(-c3ccccc3)c3c2OC(N)=C(C#N)[C@@H]3c2ccc(C(F)(F)F)cc2)cc1 1865711121 QAOYLABYDMVWFU-QFIPXVFZSA-N 488.469 5.785 50 10 JKGE CCc1nc(Nc2ccc(SC#N)cc2)cc(N2CCN(CCCc3cccc(F)c3)CC2)n1 1868277775 HQYDESFZPOFTDM-UHFFFAOYSA-N 476.625 5.250 50 10 JKGE Cc1cc(OC/C(O)=C(\C#N)c2nc(-c3ccc(Cl)cc3Cl)cs2)ccc1Cl 1872744747 GSCUHQSJHOZOQK-CYVLTUHYSA-N 451.762 6.950 50 10 JKGE N#C/C(=C(/O)c1ccccc1I)c1nc(-c2c[nH]c3ccccc23)cs1 1872751439 HYDOCENKODOXQB-RGEXLXHISA-N 469.307 5.846 50 10 JKGE COc1ccc(C(C)(C)C)cc1-c1csc(/C(C#N)=C(O)/C=C/c2ccccc2Cl)n1 1872751531 MEKKHVCOSILZNZ-YIDNVDRGSA-N 450.991 7.276 50 10 JKGE CC(C)(C)c1ccc(OCCC/C(O)=C(\C#N)c2nc(-c3ccc4c(c3)OCO4)cs2)cc1 1872752825 UWDRJFLEVGFAGK-XDOYNYLZSA-N 462.571 6.488 50 10 JKGE COc1cc(C)c(-c2csc(/C(C#N)=C(\O)CCCOc3ccccc3Cl)n2)cc1C(C)C 1872753711 JOEAUZGWFILNQQ-ATJXCDBQSA-N 483.033 7.556 50 10 JKGE CCOc1ccc(C/C(O)=C(\C#N)c2nc(-c3cc(Cl)cc(Cl)c3OC)cs2)cc1 1872754324 NGHDDBZGZPMYGZ-JZJYNLBNSA-N 461.370 6.560 50 10 JKGE CC[C@H](C)N1C(=O)c2ccc(/C(O)=C(\C#N)c3nc(-c4c(C)c(C)cc(C)c4C)cs3)cc2C1=O 1872754359 OZAHISXEDZSRBI-NOAXNCOGSA-N 485.609 6.388 50 10 JKGE Cc1ccc(C(C)(C)C)cc1-c1csc(/C(C#N)=C(\O)[C@@H](C)Oc2ccccc2C(C)C)n1 1872755867 KEJWSRDXAXGPLY-YXKKDJNZSA-N 460.643 7.800 50 10 JKGE COc1ccc(-c2csc(/C(C#N)=C(\O)[C@H](C)N3C(=O)c4ccccc4C3=O)n2)c2ccccc12 1872758711 MRQPREIQOJMLHI-QOHUBZANSA-N 481.533 5.449 50 10 JKGE COc1cc(Br)cc(/C=C(\C#N)c2nc(-c3ccc(C(C)(C)C)cc3)cs2)c1O 1872792399 WMLROFDQZFTQBF-CXUHLZMHSA-N 469.404 6.648 50 10 JKGE CCOc1cc(/C=C(\C#N)c2nc(-c3ccc(OC)c(Cl)c3)cs2)cc(Br)c1O 1872794494 FGXOAYXSDZQCAR-MKMNVTDBSA-N 491.794 6.403 50 10 JKGE CCOc1cc(/C(O)=C(\C#N)c2nc(-c3cc(C)ccc3OC)cs2)cc(OCC)c1OCC 1873920577 JDHDZYVLIOJKSQ-CLCOLTQESA-N 480.586 6.273 50 10 JKGE CC(C)CN1C(=O)c2ccc(/C(O)=C(\C#N)c3nc(-c4ccc5ccccc5c4)cs3)cc2C1=O 1873940756 GBGGPRGXJBIGPK-BZZOAKBMSA-N 479.561 6.165 50 10 JKGE Fc1cscc1[C@H](Br)c1ccc(OCc2ccccc2)cc1Br 1899851467 HKQBYKXXJYFVQS-GOSISDBHSA-N 456.174 6.713 50 10 JKGE Cl[C@H](c1cc(I)sn1)c1cc(Br)sc1Br 1909889819 VLJWJULXTPVZEV-ZETCQYMHSA-N 499.418 5.662 50 10 JKGE O=C(c1cc(C(F)(F)F)ccc1Br)N(CCCBr)Cc1ccccc1 1914648386 VIKQRSOKCURNRC-UHFFFAOYSA-N 479.134 5.895 50 10 JKGE C[C@@H](c1cccs1)N(Cc1ccccc1)S(=O)(=O)c1ccc(Br)c(CCl)c1 1914890754 JMDDKYYRRZKJPM-HNNXBMFYSA-N 484.868 6.202 50 10 JKGE CN(C[C@H](Cl)COCc1ccccc1)C(=O)c1scc(Br)c1Br 1916392568 AYKXNPDYUQPSPJ-LBPRGKRZSA-N 481.637 5.169 50 10 JKGE Brc1cc(Br)c([C@H](Br)c2ccccc2Br)s1 1922930298 QUQDZGIJVDIRJD-SNVBAGLBSA-N 489.852 6.520 50 10 JKGE Clc1cccc(C[C@@H](Br)c2csc(Br)c2Br)c1 1945183822 OLHAOQFKWAUUSM-SNVBAGLBSA-N 459.428 6.605 50 10 JKGE Clc1c(Br)ccc(CBr)c1N1CC2(CN(Cc3ccccc3)C2)C1 1948741707 XWIDHVQBDSBPLJ-UHFFFAOYSA-N 470.636 5.320 50 10 JKGE CC(C)[C@@H](CBr)N(Cc1ccccc1)Cc1cc(Br)ccc1Cl 1979519272 DLOPSTRHWKEXPL-LJQANCHMSA-N 459.653 6.524 50 10 JKGE C[C@@H]1CC[C@@H](NCCSSCCNC(=O)OC(C)(C)C)[C@H](OCc2ccccc2)C1 1985350396 PPTAOBQGOFOAOF-HMXCVIKNSA-N 454.702 5.256 50 10 JKGE BrCc1cc(Br)ccc1N1CC2(CC(OCc3ccccc3)C2)C1 2000816821 AFJAFCFXQSBPSK-UHFFFAOYSA-N 451.202 5.530 50 10 JKGE CCCOC1([C@H](Cl)c2c(Br)sc(Br)c2Br)CC1 2001724339 ZDNXWTKTHXMUOP-MRVPVSSYSA-N 467.448 6.275 50 10 JKGE CC(C)(C)OC(=O)N1CCC[C@@](CI)(O[C@@H]2CC(C)(C)C2(C)C)C1 2025011688 RAUPSMGXBSLGTI-KUHUBIRLSA-N 451.389 5.032 50 10 JKGE Cc1c(Br)sc([C@@H](Br)[C@@H]2C[C@@H]3CC[C@H](C2)O3)c1Br 2061007306 CWLDJYNNHYCAHQ-DKIAZLNASA-N 459.041 5.975 50 10 JKGE FC(F)(F)[C@@H]1C[C@H]1C[C@H](Br)c1c(Br)sc(Br)c1Cl 2065505179 JLBDQJNKLCCURU-LMVFSUKVSA-N 491.392 6.951 50 10 JKGE CC(C)Oc1ccccc1-n1nc(CBr)c(I)c1C(F)(F)F 2079251342 SFENFBYIPDWREL-UHFFFAOYSA-N 489.073 5.178 50 10 JKGE Fc1cc(Cl)c([C@H](Br)c2c(Br)cccc2Br)cc1F 2094089902 BFYTXTHXDFQPGA-ZDUSSCGKSA-N 475.352 6.628 50 10 JKGE Fc1ccc([C@H](Br)c2cc(Br)c(Cl)cc2F)c(Br)c1 2097834753 NNNOYJOWIABSLL-ZDUSSCGKSA-N 475.352 6.628 50 10 JKGE CC(C)(C)N1C[C@@H](Br)[C@H](Cc2cccc(Br)c2Br)C1 2100730864 NHSQBHQWUQCUCC-DGCLKSJQSA-N 454.044 5.248 50 10 JKGE Brc1ccc(Br)c([C@@H](Br)c2ccc3sncc3c2)c1 2120648188 HBGGTKIXJMKYSU-AWEZNQCLSA-N 462.004 6.306 50 10 JKGE Cc1nccc2c1nc([C@@H](C)Cl)n2CC1(N(Cc2ccccc2)Cc2ccccc2)COC1 2126954668 TZERAYDQFRARJV-HXUWFJFHSA-N 461.009 5.511 50 10 JKGE Cc1cc(Br)c([C@H](Br)C2C[C@H]3CCC[C@@H]3C2)cc1Br 2127046114 WAFWAPHILALUDD-GLKRBJQHSA-N 451.040 6.782 50 10 JKGE CC[C@H]1CC[C@@H](COc2c(Br)cc(Br)cc2CBr)O1 2136743607 WXIYCLXSLJTHBI-RYUDHWBXSA-N 457.000 5.443 50 10 JKGE COc1cc(F)c([C@@H](Cl)c2cc(Br)sc2Br)cc1Br 2138146830 SMPHPJGSKQCUEL-LLVKDONJSA-N 493.417 6.512 50 10 JKGE ClCc1nc2cccc(Br)c2n1Cc1scc(Br)c1Br 2150565587 XGYMCERZUDEHKI-UHFFFAOYSA-N 499.453 6.172 50 10 JKGE CC1(C)CCO[C@@H]1CC(CBr)(CBr)c1ccccc1Br 2154275073 VTAVLCNCWVCCSE-CQSZACIVSA-N 469.055 5.682 50 10 JKGE Cc1c([C@@H](Br)c2csc3c(Br)cccc23)nn(C)c1Br 2168216943 XPFNXBLIBGVOOJ-NSHDSACASA-N 479.035 5.953 50 10 JKGE Fc1ccc(Br)c(F)c1CC[C@@H](Br)c1cccc(Br)c1 2169798434 DINRVGUAAOBERL-GFCCVEGCSA-N 468.961 6.559 50 10 JKGE COc1cc(F)c([C@@H](Br)Cc2cccc(Br)c2)cc1Br 2202903198 AQLKROJWARUQTG-LBPRGKRZSA-N 466.970 6.038 50 10 JKGE Brc1ccc([C@H](Br)[C@@H]2CCCc3ccccc32)c(Br)c1 2203686023 MENZVWNFOSOMSA-RHSMWYFYSA-N 459.019 6.768 50 10 JKGE Fc1cc(Br)c(Br)cc1[C@@H](Cl)c1sccc1Br 2213492189 MQZCGEALGINOLL-SNVBAGLBSA-N 463.391 6.503 50 10 JKGE Cc1sc([C@H](Br)c2cc(F)c(Br)cc2F)cc1Br 2218967425 FASSKRQGJVBKTI-GFCCVEGCSA-N 460.963 6.344 50 10 JKGE Fc1cc(Br)c(Br)cc1[C@H](Br)[C@@H]1C[C@H]2C[C@H]1[C@H]1C[C@@H]12 2225620045 QBIFLKAGEYCDDG-KDZYDIOMSA-N 452.987 6.079 50 10 JKGE Cc1cc(Br)c([C@@H](Cl)c2nn(C)nc2Br)c(C)c1Br 2227362539 OKBFHHBAZVALJH-SNVBAGLBSA-N 472.406 5.048 50 10 JKGE Clc1cc(Br)c([C@@H](Br)[C@@H]2CCCC23CCC3)c(Cl)c1Cl 2232509842 FCPNINANWDVDCP-UFBFGSQYSA-N 461.452 7.816 50 10 JKGE C[C@H]([C@@H]1CCN(Cc2ccccc2)C1)n1c(CCl)nc2c(F)cc(Br)cc21 2232923297 LYUSQORPZBEULG-GDBMZVCRSA-N 450.783 5.760 50 10 JKGE C[C@H]1CN(Cc2ccccc2)CC[C@@H]1n1c(CCl)nc2c(F)cc(Br)cc21 2232931585 WKWQFGVILUIPFA-KSSFIOAISA-N 450.783 5.760 50 10 JKGE Cc1cc(Br)c(C)c([C@@H](Br)C2(C)CC3(CCC3)C2)c1Br 2236516548 CMPGMQYTAKGACD-OAHLLOKOSA-N 465.067 7.235 50 10 JKGE Clc1cc(CN2[C@H](CBr)C[C@@H]3CCCC[C@@H]32)ccc1I 2240675373 VZYRBRRMUWCAGG-XEZPLFJOSA-N 468.604 5.473 50 10 JKGE CC(C)[C@H](CBr)N(Cc1ccccc1)c1nc2ccc(Br)cc2s1 2253384753 ZOOHLYNNQXBFAR-KRWDZBQOSA-N 468.258 6.485 50 10 JKGE COc1c(Br)cc(Cl)cc1[C@@H](Br)c1csnc1Br 2263451650 ZRRXVQUWPLVNMA-SECBINFHSA-N 476.415 5.814 50 10 JKGE Fc1cccc(Cl)c1C[C@H](Br)c1ccc(Cl)c(I)c1 2268322972 KLJVXTCMEXYUNY-JTQLQIEISA-N 473.938 6.416 50 10 JKGE COc1ccc([C@H](Cl)c2ccc(Br)c(F)c2)cc1I 2269538937 CNJJUMSDTXGEKT-CQSZACIVSA-N 455.492 5.530 50 10 JKGE COc1ccc([C@@H](Cl)c2cc(Cl)cc(Br)c2)cc1I 2269548435 WIJSBONOAQKAFI-CQSZACIVSA-N 471.947 6.044 50 10 JKGE COc1ccc([C@H](Br)c2cccc(F)c2Cl)cc1I 2269555722 JRYASTGTEAMTGJ-ZDUSSCGKSA-N 455.492 5.577 50 10 JKGE COc1ccc([C@H](Br)c2cc(Br)ccc2F)cc1I 2269556882 RRPVSTFHPWGGIN-AWEZNQCLSA-N 499.943 5.686 50 10 JKGE Cc1cc(F)c(Br)cc1[C@@H](Br)Cc1ncccc1Br 2270439738 WSGANWUCKYFCGN-NSHDSACASA-N 451.959 5.733 50 10 JKGE C[C@@H]1CCC[C@]12[C@H](Br)C[C@H]2Oc1cc(I)ccc1Cl 2272639815 VFYMWBSBKYBTAH-SEWBAHNZSA-N 455.561 5.666 50 10 JKGE O=C(c1csc(Br)c1Br)N1C[C@H](Br)C[C@@H]2CCCC[C@@H]21 2279524144 SVDRMNMGUGEUGF-NGZCFLSTSA-N 486.067 5.441 50 10 JKGE BrCc1cc(Br)c(OCC[C@@H]2CCCC23CC3)c(Br)c1 2281316611 DIAFTTDYEDUKHH-LBPRGKRZSA-N 467.039 6.456 50 10 JKGE COc1ccc([C@@H](Br)c2ccc(F)c(F)c2F)cc1I 2284999476 PWGHXVRCDQUBTQ-GFCCVEGCSA-N 457.027 5.201 50 10 JKGE C=CC[C@@]1(CBr)CCCN(Cc2cccc(Br)c2Br)C1 2287725568 RPBUCEWAHBGDHK-INIZCTEOSA-N 466.055 5.765 50 10 JKGE Cc1ccc([C@H](Br)Cc2cc(Br)cc(Br)c2)c(F)c1F 2295334407 WDZJSCNNWDAMBD-CYBMUJFWSA-N 468.961 6.477 50 10 JKGE CC(C)OC(=O)c1ccsc1NC(=O)C(C#N)=Cc1ccc(OCc2cccc(Cl)c2)cc1 2295669981 TVHXCLGQCNWAIL-UHFFFAOYSA-N 480.973 6.091 50 10 JKGE CCn1c2ccccc2c2cc(NC=C(C#N)c3nc(-c4cccc([N+](=O)[O-])c4)cs3)ccc21 2295948547 IELIUSGUGZEHSU-UHFFFAOYSA-N 465.538 6.823 50 10 JKGE COC(=O)c1c(NC=C(C#N)c2nc(-c3ccc(OC)cc3)cs2)sc(C(C)=O)c1C 2296185247 VCIYFIMPQZUETL-UHFFFAOYSA-N 453.545 5.154 50 10 JKGE N#CC(=CNc1cc(Cl)cc(Cl)c1)c1nc(-c2cc3cc([N+](=O)[O-])ccc3oc2=O)cs1 2296615769 WWMVVVCQVOGFGW-UHFFFAOYSA-N 485.308 6.108 50 10 JKGE N#CC(=Cc1ccc(OCc2cccc3ccccc23)cc1)C(=O)Nc1cc([N+](=O)[O-])ccc1F 2297551699 ZUIOHMGXHMQDTJ-UHFFFAOYSA-N 467.456 6.012 50 10 JKGE CCOc1cc(C=C(C#N)C(=O)Nc2cccc(C(F)(F)F)c2)ccc1OCc1ccccc1F 2297617405 VJDNESFGDCWKFD-UHFFFAOYSA-N 484.449 6.368 50 10 JKGE Cn1cc([C@H](Cl)c2ccc(OCc3ccccc3)cc2Br)nc1Br 2299504105 KTFQAZCUEGZKKP-QGZVFWFLSA-N 470.592 5.852 50 10 JKGE CCCC[C@H](CC)[C@@H](Br)c1cc(Br)ccc1OCc1ccccc1 2299536575 ZITQDOHSISWALD-LAUBAEHRSA-N 454.246 7.681 50 10 JKGE Cc1ccc(NC(=O)C(C#N)=Cc2cc(Cl)c(OCc3ccc(Cl)cc3)c(Cl)c2)cc1 2313567073 CMRNGOIAMHFQRU-UHFFFAOYSA-N 471.771 7.080 50 10 JKGE CCOc1cc(C=C(C#N)C(=O)Nc2ccc(C)cc2)cc(Cl)c1OCc1ccc(Cl)cc1 2313568808 XKQCTFCHXLDAIX-UHFFFAOYSA-N 481.379 6.825 50 10 JKGE N#CC(=Cc1ccc(OCc2ccc(Cl)c(Cl)c2)cc1)C(=O)Nc1cccc(Cl)c1Cl 2313570954 KAFWKIUMQNTPAD-UHFFFAOYSA-N 492.189 7.425 50 10 JKGE C=CCOc1c(Br)cc(C=C(C#N)C(=O)Nc2cccc(Cl)c2Cl)cc1OC 2313571060 MHJSACBYBNAZRQ-UHFFFAOYSA-N 482.161 5.875 50 10 JKGE Cc1ccc(COc2ccccc2C=C(C#N)C(=O)Nc2sc3c(c2C#N)CCCC3)cc1 2313630373 IBAKPGYZQUOKEI-UHFFFAOYSA-N 453.567 5.932 50 10 JKGE Brc1ccc(OCc2ccccc2)c([C@H](Br)C2CC(CC3CC3)C2)c1 2314440610 QWUMBQZDRJBTBI-RWWKDMOOSA-N 464.241 7.290 50 10 JKGE FC(F)(C1CCCC1)[C@H](Br)c1cc(Br)ccc1OCc1ccccc1 2314490237 MVRRYHJYXRVCCJ-LJQANCHMSA-N 474.183 7.290 50 10 JKGE CCc1ccc(N2C(=O)[C@H](Cc3ccccc3)SC2=C(C#N)C(=O)Nc2ccccc2OC)cc1 2314592193 NOZYTGNJMDYJDG-VWLOTQADSA-N 483.593 5.323 50 10 JKGE CCCCN1C(=O)C(=Cc2cn(-c3ccccc3)nc2-c2cc3ccccc3o2)C(C)=C(C#N)C1=O 2314611300 SPDCCZWDFOBUIZ-UHFFFAOYSA-N 476.536 5.678 50 10 JKGE CCOC(=O)c1c(NC(=O)C(C#N)=Cc2ccc(Cl)cc2)sc(C)c1-c1ccc([N+](=O)[O-])cc1 2314754587 WDTCBVFQRBQPTE-UHFFFAOYSA-N 495.944 6.008 50 10 JKGE Cc1cc(Br)c(F)c(Br)c1[C@@H](Cl)c1csc(Br)c1 2317397427 BOZLNKRHUOCUFM-NSHDSACASA-N 477.418 6.811 50 10 JKGE Cc1scc([C@H](Br)c2cc(Cl)c(Br)cc2F)c1Br 2320480889 LUAWQYKWMRUQPC-GFCCVEGCSA-N 477.418 6.858 50 10 JKGE COc1ccc(C(C#N)=Cc2ccc(OC(=O)c3ccc(Cl)c(Cl)c3)c(OC)c2)cc1OC 2320506942 VAMUPSYKDQJPFB-UHFFFAOYSA-N 484.335 6.303 50 10 JKGE Cc1cccc(C(C)C)c1NC(=O)C(C#N)=CNc1cc(C(F)(F)F)cc(C(F)(F)F)c1 2324290189 GQTYGNAVWSMLPZ-UHFFFAOYSA-N 455.402 6.614 50 10 JKGE CCOc1ccc(NC(=O)C(C#N)=CNc2ccc(-c3nc4ccc(C)cc4s3)cc2)cc1 2325302928 WWKVWQTYUWIDBF-UHFFFAOYSA-N 454.555 6.129 50 10 JKGE COc1cc(C=C(C#N)c2nc3ccccc3n2C)ccc1OCc1c(Cl)cccc1Cl 2331019780 XZZYGRMTSXEWFT-UHFFFAOYSA-N 464.352 6.532 50 10 JKGE N#CC(=C(O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1)c1nc(-c2ccc(Cl)c(Cl)c2)cs1 2331311886 JMSLGQAORNMYBV-UHFFFAOYSA-N 463.258 5.883 50 10 JKGE CCc1ccc(OCCCC(O)=C(C#N)c2nc(-c3cc(OC)ccc3OC)cs2)cc1 2331326033 RGXKOIVUJOLLEL-UHFFFAOYSA-N 450.560 6.042 50 10 JKGE CC[C@H](C)[C@@H](C(O)=C(C#N)c1nc(-c2c[nH]c3ccccc23)cs1)N1C(=O)c2ccccc2C1=O 2331348999 IGPKTOCXNJZQIP-WNSKOXEYSA-N 482.565 5.795 50 10 JKGE CCOC(=O)c1ccc(N2C[C@H](C(O)=C(C#N)c3nc(-c4ccc(F)c(F)c4)cs3)CC2=O)cc1 2331351876 JDJUCBLTUIOEME-MRXNPFEDSA-N 495.507 5.111 50 10 JKGE COc1c(Cl)cc(Cl)cc1-c1csc(C(C#N)=C(O)CCCOc2ccccc2C)n1 2331362630 IOVQPDQDTLIQLC-UHFFFAOYSA-N 475.397 7.086 50 10 JKGE BrCc1ccc(N2CCc3scc(Br)c3C2)c(Br)c1 2336445642 WVIWZFREDQWOOA-UHFFFAOYSA-N 466.036 5.731 50 10 JKGE Fc1c(Br)cc(Cl)c([C@H](Br)[C@]23CCC[C@@H]2CC3)c1Br 2337097899 NOGRMZVEWBMEHN-ISEFBEROSA-N 475.421 7.020 50 10 JKGE Clc1ccc(CN2CC[C@H](CBr)C23CCC3)c(I)c1 2341010726 IMJZYDSTWZOJCH-GFCCVEGCSA-N 454.577 5.084 50 10 JKGE C[C@@H](c1ccncc1F)[C@@H](Br)c1ccc(Br)cc1Br 2344692863 PLKIHWDPKGVZHI-RMLUDKJBSA-N 451.959 5.985 50 10 JKGE CC(C)(C)[C@@H]1[C@H](Cl)CCN1Cc1ccc(I)c(Br)c1 2349836083 LDHAFDVQHVNDFL-OCCSQVGLSA-N 456.593 5.282 50 10 JKGE CN(Cc1c(Br)c(Br)nn1C)c1ccc(CCl)cc1Br 2364333746 PTBCRMUHEISCKW-UHFFFAOYSA-N 486.433 5.083 50 10 JKGE Cc1cc(Br)c(F)c(Br)c1[C@H](Br)[C@H]1CCCC2(CC2)C1 2365179120 NFLQTHDLLYUENV-GXFFZTMASA-N 469.030 7.066 50 10 JKGE Cc1cc(Br)c(F)c(Br)c1[C@@H](Br)[C@H]1C(F)(F)C12CCC2 2365218013 ABHGWSMJJMQHIK-ZYHUDNBSSA-N 476.956 6.531 50 10 JKGE Clc1ccc(I)c(CN2C[C@H]3CC(CBr)C[C@@H](C3)C2)c1 2368388914 UWRWWQHZUXHFLT-STQMWFEESA-N 468.604 5.188 50 10 JKGE Cc1ccccc1N1C(=O)[C@H](Cc2ccccc2Cl)S/C1=C(\C#N)C(=O)Nc1ccccc1 2396253 ZEDOXYMEMGZFED-XCQFTPQJSA-N 473.985 5.713 50 10 JKGE O=C(c1ccc(Br)s1)N(/N=C/c1ccco1)c1nc2ccc(F)cc2s1 9148831 WGPDNLADFRGABE-AWQFTUOYSA-N 450.314 5.533 50 10 JKGE CCc1ccc(O[C@@H](C)C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@H]3c2ccc(Cl)cc2)cc1 38651413 ROBBGMMRJJNSNO-LMKMVOKYSA-N 474.944 5.493 50 10 JKGE CCOc1ccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)Cc4ccc(Cl)cc4)ccc32)cc1OC 38659672 ZBSOTCSESKWIGQ-AREMUKBSSA-N 490.943 5.114 50 10 JKGE Cc1ccccc1Oc1nc2ccccn2c(=O)c1/C=C(/C#N)C(=O)Nc1cccc(C(F)(F)F)c1 39858882 SHNWQKMOJFUOKB-LGMDPLHJSA-N 490.441 5.360 50 10 JKGE O=C(NNc1ncnc(Nc2cc(Cl)cc(Cl)c2)c1[N+](=O)[O-])c1cccc2ccccc12 40588070 AOFKTVMBFXOOSL-UHFFFAOYSA-N 469.288 5.345 50 10 JKGE Cc1ccc2c(CC(=O)N/N=C3\CCCc4oc(C(=O)NC5CCCC5)c(C)c43)coc2c1C 40826564 QGKXCXPIEANRQJ-XHLNEMQHSA-N 461.562 5.023 50 10 JKGE CCCCOc1ccc(CCC(=O)Oc2ccc(/C=C(\C#N)C(=O)OCC)cc2OC)cc1OCC 54624759 FZBSIFPQOAYIHE-CJLVFECKSA-N 495.572 5.281 50 10 JKGE CCOc1ccc([C@@H](O)CCC(=O)N/N=C\c2cn(Cc3ccc(Cl)cc3)c3ccccc23)cc1 58894708 JAFHVPKPXHGROS-FNJJVTQMSA-N 490.003 5.706 50 10 JKGE C=CCc1cc(/C=N\NC(=O)CC[C@@H](O)c2ccc(OCC)cc2)ccc1OCc1ccccc1 58895061 RSEORYVCMAIUQZ-JTGJPWFNSA-N 472.585 5.357 50 10 JKGE O=C(N/N=C1/C(=O)N(C(c2ccccc2)c2ccccc2)c2ccccc21)c1nc2ccccc2s1 59165348 FFFKENBWCDOEKE-QCKNELIISA-N 488.572 5.567 50 10 JKGE COc1cc(/C=C(/C#N)C(=O)Nc2cccc(C(F)(F)F)c2)ccc1OCc1ccccc1 59291873 LJLIUVLIBNKRLM-UNOMPAQXSA-N 452.432 5.839 50 10 JKGE Cc1cc([C@H](Br)c2cccc(I)c2)c(C)cc1Br 70472152 PHWDASMPHIKGHU-OAHLLOKOSA-N 479.981 6.155 50 10 JKGE COc1ccc(C/C(C)=N\NC(=O)c2ccc(CN3C(=O)c4cccc5cccc3c45)cc2)cc1 96698198 SRNOAEXGWMOZIT-FSGOGVSDSA-N 463.537 5.357 50 10 JKGE CCCCCCCCCCCCCC(=O)NNC(=O)CCC(=O)Nc1cccc(Cl)c1C 100442949 DAWGOAPDHOCTQE-UHFFFAOYSA-N 466.066 6.216 50 10 JKGE Cc1ccc(N2C(=O)[C@H](Cc3ccccc3F)S/C2=C(/C#N)C(=O)N[C@H](C)c2ccccc2)cc1C 101244126 HTCAHFJSCYROTG-HHTKWUNRSA-N 499.611 5.746 50 10 JKGE CC1=C(C#N)C(=O)N(Cc2ccccc2)C(=O)/C1=C/c1cn(-c2ccccc2)nc1-c1ccccc1 101334898 ADNXTGUWLWXDGM-YZSQISJMSA-N 470.532 5.332 50 10 JKGE N#C/C(=C/c1ccc(SCc2ccc(Cl)cc2)o1)C(=O)Nc1nc2ccccc2s1 102443598 SOHLNCXIVWSUGN-PTNGSMBKSA-N 451.960 6.381 50 10 JKGE Fc1cc([C@H](Br)c2csc(I)c2)c(F)cc1Br 123468365 OYPPTIDHFPEJGF-LLVKDONJSA-N 493.936 5.878 50 10 JKGE COc1cc([C@H](Br)c2ccc(F)cc2Br)c(OC)cc1Br 134295761 CCBGGWIRVBCZGU-OAHLLOKOSA-N 482.969 5.852 50 10 JKGE O=C(Nc1ccc(Nc2ccnc3ccccc23)cc1)c1ccc(N(CCCl)CCCl)cc1 137464538 VGKLKNOAKYHVNH-UHFFFAOYSA-N 479.411 6.515 50 10 JKGE Clc1ccc(Br)cc1[C@H](Br)c1csc2c(Br)cccc12 163527601 NVCASVCMCLWJMO-AWEZNQCLSA-N 495.461 7.564 50 10 JKGE Cc1cc(Br)cc(CBr)c1OCc1ccc(F)cc1Br 167018200 JJCHDNTYQIOAQO-UHFFFAOYSA-N 466.970 6.133 50 10 JKGE N#C/C(=C/c1ccc(OC(=O)/C=C/c2ccco2)cc1)c1nc(-c2cc3ccccc3oc2=O)cs1 210603840 YHRDAYPVRKGCIY-IICJTNPGSA-N 492.512 6.192 50 10 JKGE CCCCCOc1ccc(/C=C2\C(=O)N(CCc3ccccc3)C(=O)C(C#N)=C2C)cc1OCC 214350439 MCTAZWNIWIMDRR-MOHJPFBDSA-N 472.585 5.489 50 10 JKGE COc1ccc([C@H](C)NC(=O)/C(C#N)=C\Nc2ccc(-c3nc4ccc(C)cc4s3)cc2)cc1OC 217174520 QBEAURKIEFTBBP-RWZYYMRUSA-N 498.608 5.986 50 10 JKGE COc1ccc([C@H](Cl)c2csc(I)c2)c(OC)c1Br 224830754 ZXOVLKCGRKNNNW-GFCCVEGCSA-N 473.557 5.461 50 10 JKGE Cl[C@@H](c1csc(Br)c1)c1cc(Br)c(Br)s1 236037421 NQICAMFTVCNESH-QMMMGPOBSA-N 451.430 6.425 50 10 JKGE Fc1c(Br)cccc1[C@@H](Cl)c1cc(Br)ccc1Br 236126433 RDFQHQXKCIECEG-GFCCVEGCSA-N 457.362 6.441 50 10 JKGE CCCCCOc1ccc(CN2C(=O)C(=NNC(=O)COc3ccccc3C)c3ccccc32)cc1 245283949 PEEVHRALRARDIT-UHFFFAOYSA-N 485.584 5.010 50 10 JKGE CCc1ccc(C(=O)NN=C(C)c2cccc(NC(=O)C(F)(F)C(F)(F)C(F)(F)F)c2)s1 254836701 UHZQFVIJVLIWFS-UHFFFAOYSA-N 483.409 5.236 50 10 JKGE Cc1ccc([C@H](Br)c2scc(C(F)(F)F)c2Br)cc1Br 312823672 LLSRSNMUIMHKBU-JTQLQIEISA-N 492.980 7.085 50 10 JKGE C[C@H](CCn1c(CCCl)nc2cc(Br)c(F)cc21)N(C)Cc1ccccc1 379614574 ZCBWTTUGCSBUBK-OAHLLOKOSA-N 452.799 5.630 50 10 JKGE Clc1cc([C@@H]2CN(Cc3ccccc3)C[C@H]2CI)ccc1Br 382681680 AVDQDXOGUCPVDV-CVEARBPZSA-N 490.610 5.753 50 10 JKGE CC(C)Oc1cccc2c1nc([C@H](C)Cl)n2CCCN(Cc1ccccc1)Cc1ccccc1 390599843 VPNLSUOHKGTZJJ-QHCPKHFHSA-N 476.064 7.216 50 10 JKGE CCn1cc([C@H](Br)c2cc(Br)c(Cl)s2)nc1Br 698496814 KCNVXVWZGRDPAY-QMMMGPOBSA-N 463.420 5.627 50 10 JKGE Clc1cccnc1COc1c(Br)cc(CBr)cc1Br 703894916 NIXWTNZUGLJLOH-UHFFFAOYSA-N 470.386 5.734 50 10 JKGE CCCc1ccc([C@@H](Br)c2ccc(I)c(Br)c2)cc1 721603469 MEXOHKGUXKLBAP-MRXNPFEDSA-N 494.008 6.491 50 10 JKGE Fc1cc(CC(CBr)(CBr)C2CCCC2)ccc1Br 722020826 PZJSGJTXVCEFHH-UHFFFAOYSA-N 457.019 6.097 50 10 JKGE CCOc1ccc([C@H](O)CCC(=O)NN=Cc2c(C)n(Cc3ccccc3C#N)c3ccccc23)cc1 1083924014 YOAXTPDBCSCONB-GDLZYMKVSA-N 494.595 5.232 50 10 JKGE Cc1ccc(-n2c(C)cc(C=NNC(=O)CSCc3ccccc3Br)c2C)cc1C 1084012783 JUXYMNQTZIWERY-UHFFFAOYSA-N 484.463 5.857 50 10 JKGE CCOc1cc(/C=C(\C#N)C(=O)Nc2ccccc2F)ccc1OCc1ccc(Cl)cc1Cl 1084560009 GGARDMSVOHCPNF-WOJGMQOQSA-N 485.342 6.656 50 10 JKGE O=C(NN=Cc1ccccc1OCc1ccc(Br)cc1)c1ccc(Cl)cc1Cl 1084603459 JQPDNVJHKLNVQT-UHFFFAOYSA-N 478.173 6.099 50 10 JKGE O=C(NN=Cc1ccc(Cl)c(Cl)c1)C(O)(c1ccc(Cl)cc1)c1ccc(Cl)cc1 1088715222 BEBHPXVIHKLDNW-UHFFFAOYSA-N 468.167 5.686 50 10 JKGE COc1ccc2ccccc2c1[C@H]1C(C#N)=C(N)Oc2c1c(C)nn2-c1ccc(Br)cc1 1865687917 CZMMRNFBOWVAJJ-QHCPKHFHSA-N 487.357 5.323 50 10 JKGE Cc1ccccc1COc1ccc([C@@H]2C(C#N)=C(N)Oc3c2c(C)nn3-c2ccc(Cl)cc2)cc1 1865703074 MNHBOAMJAQBGGI-AREMUKBSSA-N 482.971 5.940 50 10 JKGE CCCc1nn(Cc2ccc(Cl)c(Cl)c2)c2c1[C@H](c1cccc([N+](=O)[O-])c1)C(C#N)=C(N)O2 1865705803 GGEWSHBSDCHTBM-HXUWFJFHSA-N 484.343 5.317 50 10 JKGE CCCc1nn(-c2cccc3ccccc23)c2c1[C@@H](c1ccc(OC)c(OC)c1)C(C#N)=C(N)O2 1865707557 ZKGALTGLAMDDJY-VWLOTQADSA-N 466.541 5.213 50 10 JKGE COc1cccc([C@H]2C(C#N)=C(N)Oc3c2c(-c2ccccc2)nn3Cc2cccc(Cl)c2)c1 1865712451 YVYFGQIUGZAUFO-QHCPKHFHSA-N 468.944 5.479 50 10 JKGE CSCc1ccc(C(=O)NNC(=O)c2ccc(-c3ccc(Cl)c(Cl)c3)nc2C)cc1 1865759101 IGFJGQCDPIQZSF-UHFFFAOYSA-N 460.386 5.302 50 10 JKGE C[C@@H]1COC[C@@H](C)N1c1cc(Nc2ccc(SC#N)cc2)nc(-c2ccc(C(C)(C)C)cc2)n1 1868544690 JBKHAVPXGGRCBZ-RTBURBONSA-N 473.646 6.371 50 10 JKGE CC(C)c1ccc(/C=C/C(O)=C(\C#N)c2nc(-c3cccc(Br)c3)cs2)cc1 1872745797 CVJYQSRGTZKRSZ-VPRJXVDDSA-N 451.389 7.202 50 10 JKGE CCOc1ccc(-c2csc(/C(C#N)=C(\O)CCCOc3ccc(C(C)(C)C)cc3)n2)cc1 1872747935 ZWKSICBNTRVLND-BZZOAKBMSA-N 462.615 7.158 50 10 JKGE COc1ccc(C(C)(C)C)cc1-c1csc(/C(C#N)=C(\O)COc2cc(Cl)ccc2Cl)n1 1872751637 QOXPJXUWFRNLDT-JZJYNLBNSA-N 489.424 7.295 50 10 JKGE COc1cc(C)c(-c2csc(/C(C#N)=C(\O)[C@@H]3CC(=O)N(C(C)(C)C)C3)n2)cc1C(C)C 1872754012 YMBJFCHZBZCPSC-LTUQMTLXSA-N 453.608 5.690 50 10 JKGE COc1cc(-c2csc(/C(C#N)=C(\O)COc3ccc(Cl)cc3Cl)n2)c(OC)cc1Cl 1872756484 MBIKVVKPKUIUJU-LGMDPLHJSA-N 497.787 6.659 50 10 JKGE COc1cc(-c2csc(/C(C#N)=C(\O)[C@@H](C)Oc3ccc(Cl)cc3)n2)c(OC)cc1Cl 1872756600 RJKJBKOLWGEDLT-IGUAEOCPSA-N 477.369 6.394 50 10 JKGE COc1cc(/C=C(\C#N)c2nc(-c3ccc(F)c(F)c3)cs2)ccc1OCCc1ccccc1 1872792982 BKJDDSCWNARQSO-FYJGNVAPSA-N 474.532 6.783 50 10 JKGE C[C@@H](Br)CN(Cc1ccccc1)C(=O)c1c(Br)cccc1Br 1914668748 WAVFNRXPSZYMLP-GFCCVEGCSA-N 490.033 5.637 50 10 JKGE BrCC1CCC2(CC1)CCN(c1ncc(Br)cc1Br)C2 1916931044 KKRINUUIPHQGQQ-UHFFFAOYSA-N 467.043 5.388 50 10 JKGE Brc1cc(Br)c([C@@H](Br)[C@H]2CCCc3ccccc32)s1 1922954883 TVFRSJBDPMUFCZ-FZMZJTMJSA-N 465.048 6.829 50 10 JKGE Brc1sc(Br)c([C@H](Br)[C@H]2CC23CC3)c1Br 1924612978 PMPBYSQJCJBVFC-INEUFUBQSA-N 479.857 6.272 50 10 JKGE Brc1cc2c(c([C@@H](Br)c3csnc3Br)c1)OCC2 1925249060 VYEJNYVSFPJFRH-SNVBAGLBSA-N 453.981 5.087 50 10 JKGE Fc1cc(Br)cc([C@H](Br)c2c(Cl)sc(Br)c2Cl)c1 1925583589 DTPPJUGPUOCHRL-QMMMGPOBSA-N 497.836 7.203 50 10 JKGE Clc1sc(Br)c(Cl)c1[C@H](Cl)c1cscc1OCc1ccccc1 1939526939 KBSLPZILWDNRMU-CYBMUJFWSA-N 468.652 7.786 50 10 JKGE Brc1csc([C@H](Br)c2cc(Br)sc2Br)c1 1961677085 IASCPGLTOXNSFD-MRVPVSSYSA-N 495.881 6.581 50 10 JKGE CC[C@H](C)N(Cc1ccccc1)S(=O)(=O)c1ccc(CBr)c(Br)c1 2009709880 BOXZEPSNIJIPIJ-AWEZNQCLSA-N 475.246 5.333 50 10 JKGE CC(C)CC1([C@@H](Cl)c2c(Br)sc(Br)c2Br)CC1 2015715645 BSSMMXAPXZOCEZ-VIFPVBQESA-N 465.476 7.142 50 10 JKGE CCN[C@H](c1c(Br)sc(Br)c1Cl)[C@H]1C[C@@H](Br)C1 2020162739 XVCZVQICRBNGPK-MYINAIGISA-N 466.464 5.751 50 10 JKGE FC(F)(F)CC1([C@@H](Br)c2cc(Br)sc2Br)CCC1 2034505504 YTDVLYOCZVIPRR-QMMMGPOBSA-N 470.974 6.832 50 10 JKGE Fc1cc(Cl)c(Br)cc1[C@@H](Cl)c1ccccc1I 2036570265 ASSPIBSSLQIHRZ-ZDUSSCGKSA-N 459.911 6.174 50 10 JKGE FC1(F)CCCCC[C@H]1[C@H](Br)c1cc(Br)sc1Br 2046373213 JPUUKAMYFJXLSL-WCBMZHEXSA-N 467.011 6.925 50 10 JKGE Brc1cccc([C@@H](Br)Cc2c(Br)cccc2Br)c1 2050572959 ZVUMUSOSRATRDY-AWEZNQCLSA-N 497.850 6.653 50 10 JKGE CN(C[C@H]1C[C@H](Br)C1)C(=O)c1cc(Br)cc(NC(=O)OC(C)(C)C)c1 2076209921 VFOCYAJNROARGB-AULYBMBSSA-N 476.209 5.042 50 10 JKGE CN([C@H](c1ccccc1P(c1ccccc1)c1ccccc1)C(C)(C)C)[S@@](=O)C(C)(C)C 2080751190 LSFXASOJFLAEOF-DICHSLLOSA-N 465.643 5.926 50 10 JKGE COc1cc(Br)c(C)cc1[C@@H](Cl)c1cc(Br)c(Br)s1 2089732435 IJFMMFUZVUDQHG-GFCCVEGCSA-N 489.454 6.681 50 10 JKGE C[C@@H](Cn1c(CCCl)nc2cc(Cl)c(Br)cc21)N(C)Cc1ccccc1 2112701651 MROBFFIUJPXWRL-AWEZNQCLSA-N 455.227 5.754 50 10 JKGE Clc1ccc(Br)c(CC[C@H](Br)c2ccc(Br)cc2)c1 2113490895 ISTMZAMDGLOPPQ-AWEZNQCLSA-N 467.426 6.934 50 10 JKGE C[C@H]1Cc2cc(Br)cc([C@@H](Cl)c3cc(I)sn3)c2O1 2120029293 NIEJFWHVLZJLKU-PWCHPLFNSA-N 470.557 5.162 50 10 JKGE COc1cc(F)c([C@H](Br)c2cc(C)c(Br)o2)cc1Br 2138149086 WLAYKLPLGRDESF-LBPRGKRZSA-N 456.931 5.745 50 10 JKGE Cc1c(Br)ccc([C@H](Br)CC23CCC(CC2)C3)c1Br 2138872018 IKBCCRCDTJADTE-OFWKBQFLSA-N 451.040 6.926 50 10 JKGE COc1c(C)cc(Br)cc1[C@@H](Br)c1cccc(I)c1 2141661399 ROSAMQXLDDDWJP-AWEZNQCLSA-N 495.980 5.855 50 10 JKGE CC[C@@](CBr)(Cc1c(Br)cccc1Br)c1ccccc1 2150493340 ABBNHKRRXOKVGP-KRWDZBQOSA-N 461.035 6.497 50 10 JKGE Cc1c(Br)sc([C@H](Br)[C@H]2CC23CCC(F)(F)CC3)c1Br 2163395408 GDWYSWOPAULQEK-PSASIEDQSA-N 493.049 7.233 50 10 JKGE CC(C)(C)OC(=O)NCC[C@H](N(C[C@@H](CBr)CC1CC1)C1CC1)C(F)(F)F 2169162126 LDJHYJQFVKDYBQ-ZBFHGGJFSA-N 457.375 5.108 50 10 JKGE C[C@H]1CN(C(=O)c2cc(Br)ccc2Br)CC[C@H]1CCBr 2172479338 ZMDKUGXXPIZWGM-WDEREUQCSA-N 468.027 5.095 50 10 JKGE Cc1c(Br)sc([C@@H](Cl)C2(C(F)(F)F)CCCCC2)c1Br 2173212340 KJSSEHHGHZJOLI-SNVBAGLBSA-N 454.577 7.374 50 10 JKGE Cc1c(Br)ccc([C@H](Br)[C@H]2C[C@@H]2C2CCCCC2)c1Br 2203689173 XFHVJBNIRYRLCX-KEYYUXOJSA-N 465.067 7.172 50 10 JKGE Cc1c(Br)ccc([C@H](Br)[C@@H]2[C@H]3CCCC(F)(F)[C@H]32)c1Br 2203707061 UMDXAPFNTAZJMQ-PBFTVQBMSA-N 472.993 6.637 50 10 JKGE CC1([C@@H](Br)c2c(Br)sc(Br)c2Cl)CC2(CCC2)C1 2221001913 JBQFQXJQRMQRCT-VIFPVBQESA-N 477.487 7.333 50 10 JKGE CCOCc1cc(Br)c([C@@H](Cl)c2ccc(OCc3ccccc3)cc2)s1 2224772111 JJHWJDIOEOWOLJ-FQEVSTJZSA-N 451.813 6.954 50 10 JKGE CCO[C@@H]1CC[C@@H]([C@@H](Br)c2cc(Br)c(Br)cc2F)C1 2225617295 NVHHZKWQYAKWAO-RFXMVYNHSA-N 458.991 5.992 50 10 JKGE COC1CC(C[C@H](Br)c2c(Br)cc(C)c(Br)c2C)C1 2227350353 HHHYJXUZXGIUIB-XIVSLSHWSA-N 455.028 6.080 50 10 JKGE Cc1cc([C@H](Br)c2sc(C)c(C)c2Br)c(C)cc1Br 2229319550 IVZZLOCUKVNSIY-AWEZNQCLSA-N 467.064 6.991 50 10 JKGE Cc1sc([C@@H](Br)c2cc(C3CC3)c(Br)s2)c(Br)c1C 2229323412 PSNQZIKYFCWRAS-LBPRGKRZSA-N 485.104 7.313 50 10 JKGE Cc1cc(Br)c([C@@H](Br)c2ccc(F)cc2Cl)c(C)c1Br 2235605494 SBVNBRSBEDPPRL-HNNXBMFYSA-N 485.416 7.105 50 10 JKGE Cc1cc(Br)c([C@H](Br)[C@H]2C[C@H]2C2CCCC2)c(C)c1Br 2235611590 KWQOFUABVCMONL-GDZNZVCISA-N 465.067 7.091 50 10 JKGE Clc1sc(Br)c(Cl)c1[C@@H](Br)c1cc(Br)co1 2244207554 FUAWBBRJYOWRAW-LURJTMIESA-N 469.807 6.657 50 10 JKGE Cc1sc(Br)c(C)c1[C@@H](Br)c1scc(Br)c1Cl 2246477538 UOCGUYORYRKNCY-MRVPVSSYSA-N 479.484 7.089 50 10 JKGE Fc1cc(Br)c(F)c(Br)c1[C@H](Cl)C1(Br)CCC1 2250746214 WQQINXNLMVPJPX-JTQLQIEISA-N 453.346 6.087 50 10 JKGE CC[C@@H](CC(F)(F)F)[C@@H](Br)c1ccc(OC)c(I)c1 2269540858 HNFKTOIHDYBRFM-QPUJVOFHSA-N 451.064 5.714 50 10 JKGE Brc1cc(Br)cc(C[C@H](Br)[C@@H]2C[C@@H]3CCCC[C@@H]32)c1 2277962190 DIORUDNZSOGYKE-KSYCFECVSA-N 451.040 6.344 50 10 JKGE C[C@]1([C@H](Br)Cc2cc(Br)cc(Br)c2)C[C@H]1C(F)(F)F 2277964339 DTYBPOQVBIJJJB-UTUOFQBUSA-N 464.945 6.106 50 10 JKGE Cc1cc([C@H](Br)c2cc3sc(Br)cc3s2)ccc1Br 2278016752 CDLQBWHQAROEHQ-AWEZNQCLSA-N 481.072 7.281 50 10 JKGE COc1c(Cl)cc(Br)cc1[C@@H](Cl)c1c(F)cccc1I 2282786623 HSQRBQOAHWGNSO-CYBMUJFWSA-N 489.937 6.183 50 10 JKGE CCc1cc([C@H](Br)c2c(F)cccc2I)c(F)cc1F 2282904759 QMNIJYDZTUFBQC-HNNXBMFYSA-N 455.055 5.755 50 10 JKGE CC1CCC2(CC1)[C@@H](Br)C[C@H]2Oc1cc(I)ccc1Cl 2288257905 TWILMESDOUQUAP-HUJAQRGZSA-N 469.588 6.056 50 10 JKGE CCOc1cccc(NC(=O)C(C#N)=Cc2cc(C)n(-c3ccc(Br)cc3)c2C)c1 2294193535 ZLUCMTDTZZMEHS-UHFFFAOYSA-N 464.363 5.801 50 10 JKGE Fc1cc(Br)c(Cl)cc1[C@H](Br)c1ccc(C(F)(F)F)s1 2295257161 UOQYUXDCTXBIHX-NSHDSACASA-N 452.492 6.806 50 10 JKGE COc1c(Br)cc(Cl)c(C)c1[C@@H](Br)c1cccc(Br)c1 2295262051 DWPRNJJFXGVQNI-AWEZNQCLSA-N 483.425 6.666 50 10 JKGE COc1c(Br)cc(Cl)c(C)c1[C@@H](Cl)c1cc(Br)c(C)s1 2295283178 KJMLKBOEHBPDEA-ZDUSSCGKSA-N 459.030 6.880 50 10 JKGE CC(C)(CCCBr)CNC(=O)Cc1cc(Br)cc(Br)c1 2295316231 WBDLCUONBBNUEF-UHFFFAOYSA-N 470.043 5.072 50 10 JKGE Cc1ccc(Cc2cnc(NC(=O)C(C#N)=Cc3ccc(-c4ccc([N+](=O)[O-])cc4)o3)s2)cc1 2297306451 AHFUKBBKJQDPIW-UHFFFAOYSA-N 470.510 5.756 50 10 JKGE CCC[C@H](C(C)C)[C@H](Br)c1cc(Br)ccc1OCc1ccccc1 2299505797 ZWKVLKYYBQGVOG-NQIIRXRSSA-N 454.246 7.536 50 10 JKGE CCCC[C@H](CC)[C@H](Br)c1cc(Br)ccc1OCc1ccccc1 2299536579 ZITQDOHSISWALD-UWJYYQICSA-N 454.246 7.681 50 10 JKGE Fc1cc(Br)cc([C@H](Cl)c2sc(Cl)cc2I)c1 2301085149 BFHJJEQSTQRFPI-JTQLQIEISA-N 465.940 6.236 50 10 JKGE N#CC(=Cc1cn(Cc2ccc(Cl)c(Cl)c2)c2ccccc12)C(=O)NCc1ccco1 2313541211 FEBPIHMADKBTKB-UHFFFAOYSA-N 450.325 5.813 50 10 JKGE Cc1ccc(NC(=O)C(C#N)=Cc2ccc(OCc3ccc(Cl)c(Cl)c3)cc2)c(C)c1 2313667014 BXVOGLKNOFPVOH-UHFFFAOYSA-N 451.353 6.735 50 10 JKGE Cc1ccc(F)cc1[C@@H](Br)c1ccc(OCc2ccccc2)cc1Br 2314450499 ZYMLHPAMLHNENX-NRFANRHFSA-N 464.172 6.960 50 10 JKGE CCCCOc1cc(C=C(C#N)c2nc(-c3ccc(Br)cc3)cs2)ccc1OC 2314571487 FVYUNWLXZGKIKZ-UHFFFAOYSA-N 469.404 6.824 50 10 JKGE CCc1ccc(N2C(=O)[C@@H](Cc3ccccc3F)SC2=C(C#N)C(=O)Nc2ccccc2C)cc1 2314591831 FVSOOHUEJLAATO-RUZDIDTESA-N 485.584 5.762 50 10 JKGE CCOc1cccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)C=Cc4ccc(C(C)(C)C)cc4)ccc32)c1 2314634776 KMADHVZPFXRZHT-LJAQVGFWSA-N 494.591 6.220 50 10 JKGE Fc1c(Br)cc(Cl)c([C@@H](Br)C2CCOCC2)c1Br 2315458508 NGHUOPMULLNJKL-JTQLQIEISA-N 465.382 5.867 50 10 JKGE O=C(c1scc(Br)c1Br)N1CC[C@H]2CC[C@H](Br)[C@@H]1C2 2330966518 JMNFCLFCXQQHMO-WEDXCCLWSA-N 472.040 5.051 50 10 JKGE COc1cccc(C=C(C#N)c2nc3ccccc3s2)c1OCc1c(Cl)cccc1Cl 2331025605 VWGUJZSGZUTMBP-UHFFFAOYSA-N 467.377 7.255 50 10 JKGE COc1ccc(-c2csc(C(C#N)=C(O)C=Cc3ccc(Cl)cc3Cl)n2)cc1OC 2331242387 WEHVXQQYUVWTCC-UHFFFAOYSA-N 459.354 6.640 50 10 JKGE COc1ccc(OC)c(CC(O)=C(C#N)c2nc(-c3cccc(Br)c3)cs2)c1 2331276576 RAHVAUYSTYJHSS-UHFFFAOYSA-N 457.349 5.625 50 10 JKGE COc1cc(-c2csc(C(C#N)=C(O)c3ccc(Cl)c(Cl)c3)n2)c(OC)cc1Cl 2331377137 NINDYSOTFDRRMX-UHFFFAOYSA-N 467.761 6.737 50 10 JKGE COc1ccc(-c2csc(C(C#N)=C(O)CCCOc3ccc(Cl)cc3Cl)n2)c(OC)c1 2331386739 HSFBSTCNVTWBBA-UHFFFAOYSA-N 491.396 6.786 50 10 JKGE COc1c(C)cc(Cl)cc1-c1csc(C(C#N)=C(O)[C@H]2CC(=O)N([C@H](C)c3ccccc3)C2)n1 2331391906 UDSHSPCUBCCKID-AEFFLSMTSA-N 494.016 6.183 50 10 JKGE COc1ccc(C=CC(O)=C(C#N)c2nc(-c3cc(C(C)(C)C)ccc3C)cs2)c(OC)c1 2331396441 YNZPDTHTLDUIRM-UHFFFAOYSA-N 460.599 6.939 50 10 JKGE COC1(C(F)(F)F)CC([C@@H](Br)c2sc(Cl)cc2I)C1 2338768090 MXWWVVMXDZUNNJ-FDRLMODASA-N 489.522 5.800 50 10 JKGE Cc1cc(Br)c(F)c(Br)c1[C@@H](Br)[C@@H]1C[C@H]1C(F)(F)F 2339645310 GZURHIPLJXQBSW-KCRUCZTKSA-N 468.908 6.294 50 10 JKGE CCN[C@H](c1c(C)cc(Br)c(F)c1Br)C1CC(Br)C1 2339647621 CKCWDYZDEQVTPO-CTCYHXBNSA-N 458.007 5.483 50 10 JKGE Cc1cc(Br)c([C@H](Br)C23CC(C[C@@H](C)O2)C3)cc1Br 2342328711 LXXJORYOPAMPIP-AYBBVMILSA-N 453.012 5.914 50 10 JKGE C[C@@H](c1ccncc1F)[C@H](Br)c1ccc(Cl)c(I)c1 2344715127 YOKPKPMRLDXKQN-RTHLEPHNSA-N 454.508 5.718 50 10 JKGE Brc1cc(CN2CC[C@H]3C[C@@H](Br)CC[C@H]32)ccc1I 2349824773 AIFWTAJWNUYSIE-SLEUVZQESA-N 499.028 5.192 50 10 JKGE BrC[C@]1(Cc2ccc(I)c(Br)c2)CC12CCCCC2 2349839871 KIIVWYSCGNFNJX-INIZCTEOSA-N 498.040 6.332 50 10 JKGE COc1c(Br)cc(C)c([C@@H](Br)C2CC(C3CC3)C2)c1Br 2365190442 FEMYQMFBELIHGF-MGULZYLOSA-N 467.039 6.401 50 10 JKGE Cc1cc(Br)c(F)c(Br)c1[C@H](Br)C1(C(C)(F)F)CCC1 2365193226 GJYHBUMJPXGUOZ-LBPRGKRZSA-N 478.972 6.921 50 10 JKGE O=C(c1scc(Br)c1Br)N1CCC[C@@H](Br)[C@@H]1C(F)(F)F 2370246035 AHCNUIVBJYWIKE-MLUIRONXSA-N 499.972 5.204 50 10 JKGE Fc1ccc(C[C@H](CCl)Cc2ccc(I)c(Br)c2)cc1 2377355088 ZTOJMZCIMTXWHK-ZDUSSCGKSA-N 467.547 5.833 50 10 JKGE Cc1ccc(C[C@H]2S/C(=C(\C#N)C(=O)Nc3ccc(Cl)cc3)N(c3ccccc3)C2=O)cc1 2196357 FQQWLUNPYUVRTO-QPQMVVSWSA-N 473.985 5.713 50 10 JKGE N#C/C(C(N)=O)=C1\SC=C(c2ccc(-c3ccc([N+](=O)[O-])cc3Cl)o2)N1c1ccccc1 2671052 UEDYBNITOUIERJ-CJLVFECKSA-N 464.890 5.280 50 10 JKGE COc1ccc(/C=C(\C#N)C(=O)Nc2cccc3ccccc23)cc1COc1ccc([N+](=O)[O-])c(C)c1 20352809 NBRNGNNDWIRVDD-PXLXIMEGSA-N 493.519 6.190 50 10 JKGE COc1ccc(/C=N/NC(=O)[C@@H]2[C@H](C=C(Cl)Cl)C2(C)C)cc1CN1CCCc2ccccc21 20615923 WHQVLYOUPIKJII-GVHFHICVSA-N 486.443 5.689 50 10 JKGE N#C/C(C(=O)Nc1ccc(F)cc1)=C1/S[C@@H](Cc2ccccc2)C(=O)N1c1ccc(F)cc1 33468250 CXLDKRGMOTWJPM-JSIHEXFSSA-N 461.493 5.030 50 10 JKGE COc1ccc(/C=C(/C#N)C(=O)Nc2ccccc2C)cc1OC(=O)c1cccc2ccccc12 33781465 BCBFKQOHWQEUMU-JWGURIENSA-N 462.505 5.922 50 10 JKGE CCCCN1C(=O)/C(=N/NC(=O)c2cc(-c3ccccc3)nc3ccccc23)c2cc(OC)ccc21 38180344 JRUOMRSPBGOKCO-TVKQRKNISA-N 478.552 5.191 50 10 JKGE Cc1ccc2c(C)c(C(=O)Oc3ccc4c(c3)OC(N)=C(C#N)[C@@H]4c3ccc([N+](=O)[O-])cc3)oc2c1C 38688251 OOVSHUXOVZXJLA-XMMPIXPASA-N 495.491 5.704 50 10 JKGE C=CCOc1ccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4oc5cc(C)ccc5c4C)ccc32)cc1 38688578 GDDVUSZZQIZSGF-MHZLTWQESA-N 492.531 6.052 50 10 JKGE CCc1ccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4oc5cc(C)cc(C)c5c4C)ccc32)cc1 38700457 QXJHWOJQXPYFRJ-HHHXNRCGSA-N 478.548 6.358 50 10 JKGE Cc1c(C(=O)Nc2ccccc2C(F)(F)F)oc2c1/C(=N/NC(=O)c1ccccc1Cl)CCC2 40812628 KCIANDVGFUGLPC-UXHLAJHPSA-N 489.881 5.983 50 10 JKGE COc1cccc(C(=O)N/N=C2\CCCc3oc(C(=O)N4c5ccc(F)cc5CC[C@H]4C)c(C)c32)c1 40822203 KTJBTMAJGTXLHJ-FLLVFQQYSA-N 489.547 5.188 50 10 JKGE CCOc1ccc([C@@H](O)CCC(=O)N/N=C\c2c(C)n(Cc3ccccc3C#N)c3ccccc23)cc1 58894730 YOAXTPDBCSCONB-LLQGPRFRSA-N 494.595 5.232 50 10 JKGE CCc1ccccc1NC(=O)N/N=C/c1cc(Br)c(Sc2ccc(Cl)cc2)o1 59248617 HMSKEEDDJZCVLG-FSJBWODESA-N 478.799 6.565 50 10 JKGE CCOc1ccc(C(=O)NNC(=O)c2oc3ccccc3c2CSc2cccs2)cc1 72043326 VNWGVHKJPZXZFP-UHFFFAOYSA-N 452.557 5.260 50 10 JKGE Fc1cc(Br)c(Cl)cc1[C@H](Br)c1ccc(Br)cc1 97895980 LSXBSDIUDMUSBG-CYBMUJFWSA-N 457.362 6.488 50 10 JKGE COc1cc(C)c(/C=C/C(C)=C\C[P+](c2ccccc2)(c2ccccc2)c2ccccc2)c(C)c1C 100054491 FBJRLPIRENQIND-LTTYQNBASA-N 491.635 7.574 50 10 JKGE Brc1ccc([C@@H](Br)c2cc3c(cc2Br)OCCO3)s1 104032337 ZZJXZHCKZOGBNX-ZDUSSCGKSA-N 468.992 5.529 50 10 JKGE COc1ccc([C@@H](Br)c2ccc(OC)c(Br)c2)c(Br)c1 109876919 AHXJVWNBCOJZPH-HNNXBMFYSA-N 464.979 5.713 50 10 JKGE Cc1cc(Br)c([C@H](Cl)c2ccc(Br)s2)cc1Br 128721306 GCJKLKPGVODMFV-LBPRGKRZSA-N 459.428 6.672 50 10 JKGE CCCC[C@@H](CC)CO[C@@](C)(CI)c1ccccc1Br 162154610 OLDVEWAHNGUPDD-PBHICJAKSA-N 453.202 6.332 50 10 JKGE CC(C)(C)c1ccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)/C=C\c4ccccc4)ccc32)cc1 205641118 HQTSVVQHEPIWNO-NRXHXZHGSA-N 450.538 5.821 50 10 JKGE Cc1ccc(/C=C\C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@@H]3c2cccc(OCCC(C)C)c2)cc1 205659129 OINBNXRUGNHYJT-NZNKSTNDSA-N 494.591 6.257 50 10 JKGE BrCc1cccc(Br)c1OCc1cc(Br)cc2c1OCC2 228486237 YIBDISQEBFRPRM-UHFFFAOYSA-N 476.990 5.620 50 10 JKGE BrC[C@H](Cc1cc(Br)cc2c1OCC2)c1ccccc1Br 228556452 HJCMFONHZDTMMV-ZDUSSCGKSA-N 475.018 5.868 50 10 JKGE O=C(NCC1(CBr)CCCCC1)c1cc(Br)cc(Br)c1 232471513 GZEDFHWCJVCLNR-UHFFFAOYSA-N 468.027 5.287 50 10 JKGE O=C(N[C@H]1CCCCC[C@H]1Br)c1ccc(Br)cc1Br 232485447 BRPJRUZUWZTDJK-YPMHNXCESA-N 454.000 5.038 50 10 JKGE CC(C)c1ccc([C@H](Br)c2cc(Br)ccc2I)cc1 232741158 WZRGPEZKWOUQAM-INIZCTEOSA-N 494.008 6.661 50 10 JKGE COc1cc(F)c(Br)cc1[C@H](Br)c1cc(Br)ccc1C 234912528 XOHSZMOIHMGXKO-OAHLLOKOSA-N 466.970 6.152 50 10 JKGE O=[N+]([O-])c1ccc(C[C@H](Cl)c2cc(Br)ccc2I)cc1 236019393 HGBCBDGXQXSLKY-ZDUSSCGKSA-N 466.500 5.485 50 10 JKGE Clc1ccc(Br)c([C@H](Br)Cc2cccc(Br)c2)c1 236051394 FHJQBRRIZACSGU-CQSZACIVSA-N 453.399 6.544 50 10 JKGE 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 254307473 GCLRJMLUSNRQMO-NQIRMHSJSA-N 451.577 8.871 50 10 JKGE COc1ccc(-c2nnc(SCC(=O)NN=Cc3ccc(C(C)C)cc3)n2-c2ccc(C)cc2)cc1 254444015 FDWFZPHNGSVPKU-UHFFFAOYSA-N 499.640 5.617 50 10 JKGE O=C(NN=Cc1cn(-c2ccccc2)nc1-c1ccc(OCc2ccccc2)cc1)c1ccc(F)cc1 254550385 NNSBMYZVVBTGOR-UHFFFAOYSA-N 490.538 6.021 50 10 JKGE Fc1ccc([C@@H](Br)c2cc3c(cc2Br)OCC3)c(Br)c1 308421169 WXIMRHRMWBFBOW-OAHLLOKOSA-N 464.954 5.770 50 10 JKGE COc1c(C)cc(Br)c(C)c1[C@H](Br)c1coc(Br)c1 378916523 MXJJIQSJBSJRFT-CYBMUJFWSA-N 452.968 5.914 50 10 JKGE Brc1ccc(Br)c([C@H](Br)c2coc(Br)c2)c1 393559930 UFTQNTWGJBZNBI-LLVKDONJSA-N 473.784 6.051 50 10 JKGE CCOC(=O)c1ccc(NC(=O)c2cccc(NC(=O)Nc3ccc(SC#N)cc3)c2)cc1 586732573 HYOKWOGFGQCGBV-UHFFFAOYSA-N 460.515 5.333 50 10 JKGE CC(C)(C)OC(=O)N1CC[C@H](c2ccccc2CO[Si](C)(C)C(C)(C)C)c2ccccc21 616590459 WOGZHZNPKXONSS-JOCHJYFZSA-N 453.699 7.486 50 10 JKGE CC(C)(C)[Si](C)(C)OCCc1ccc(C2CCN(S(=O)(=O)c3ccccc3)CC2)cc1 616609423 WPCPAZNQSVNESO-UHFFFAOYSA-N 459.728 5.819 50 10 JKGE Brc1ccoc1[C@H](Br)c1cc(Br)c(Br)s1 696490769 KRWCNDOJYNDBOZ-SSDOTTSWSA-N 479.813 6.113 50 10 JKGE CC[C@@H](C)c1ccc([C@H](Br)c2scc(Br)c2Br)cc1 705445646 ADGMTXGXUYBSFE-RNCFNFMXSA-N 467.064 7.271 50 10 JKGE C[C@@]1(CBr)CCCCN1C(=O)c1scc(Br)c1Br 723008058 SORMXGYTBLGCEZ-LBPRGKRZSA-N 460.029 5.053 50 10 JKGE Cc1nn(Cc2ccccc2Cl)c(C)c1C=NNC(=O)[C@H](C)Oc1ccc(Cl)cc1Cl 1083972492 VEMBAZSHIRIWGM-HNNXBMFYSA-N 479.795 5.426 50 10 JKGE Cc1ccc(-c2ccccc2)n1-c1ccc(C(=O)NN=Cc2ccccc2Br)cc1 1084080021 FVHSHDZRIAXMSZ-UHFFFAOYSA-N 458.359 5.979 50 10 JKGE C=CCc1cc(C=NNC(=O)c2cc3cc(Br)ccc3o2)ccc1OCc1ccccc1 1084193945 PKEKCTHEMZEEQJ-UHFFFAOYSA-N 489.369 6.267 50 10 JKGE O=C(Cc1cccc2ccccc12)NN=C1C(=O)N(Cc2c(Cl)cccc2Cl)c2ccccc21 1084464319 VBFCBAROVOCEQB-UHFFFAOYSA-N 488.374 5.756 50 10 JKGE O=C(NN=C(c1ccc(OCCF)cc1)c1ccc(OCCF)cc1)Nc1ccc(Cl)cc1 1615946959 DBTLOEXOAOBFGB-UHFFFAOYSA-N 473.907 5.611 50 10 JKGE Cc1c(C(=O)N2CCCc3ccccc32)oc2c1C(=NNC(=O)c1ccccc1Cl)CCC2 1772743564 BSVKVQXFGAGUSV-UHFFFAOYSA-N 461.949 5.305 50 10 JKGE Cc1c(C(=O)N2CCCC[C@@H]2C)oc2c1C(=NNC(=O)C(c1ccccc1)c1ccccc1)CCC2 1772747958 HEQNDXJVPUUROO-FQEVSTJZSA-N 483.612 5.591 50 10 JKGE Cc1c(C(=O)Nc2ccc(C(C)C)cc2)oc2c1C(=NNC(=O)COc1ccccc1)CCC2 1772750202 XCPKZVVZJFBVGI-UHFFFAOYSA-N 459.546 5.199 50 10 JKGE N#CSc1ccc(NC(=O)Oc2cccc3c(NC(=O)CCCOc4ccccc4)cccc23)cc1 1858771369 LJVGUSDSLDQBRQ-UHFFFAOYSA-N 497.576 6.822 50 10 JKGE COc1cccc([C@@H]2C(C#N)=C(N)Oc3c2c(-c2ccccc2)nn3Cc2ccccc2Cl)c1O 1865684274 PFITTZJMDZUCSI-JOCHJYFZSA-N 484.943 5.184 50 10 JKGE CC(C)c1ccc([C@H]2C(C#N)=C(N)Oc3c2c(-c2ccccc2)nn3-c2cccc3ccccc23)cc1 1865686061 QKMVTWUHXMPPGB-NDEPHWFRSA-N 482.587 7.034 50 10 JKGE N#CC1=C(N)Oc2c(c(-c3ccccc3)nn2Cc2c(F)cccc2Cl)[C@H]1c1cccs1 1865698367 RJJIZGXZQAMPTA-HXUWFJFHSA-N 462.937 5.671 50 10 JKGE CCc1nn(Cc2ccc(Cl)cc2)c2c1[C@H](c1ccc(N(CC)CC)cc1)C(C#N)=C(N)O2 1865701698 CDGYUQFLQBFINY-HSZRJFAPSA-N 461.997 5.212 50 10 JKGE Cc1nn(Cc2cccc(Cl)c2)c2c1[C@H](c1cc(Br)ccc1F)C(C#N)=C(N)O2 1865701741 DFUHEFRQDMSWAF-LJQANCHMSA-N 473.733 5.013 50 10 JKGE CCN(CC)c1ccc([C@H]2C(C#N)=C(N)Oc3c2c(C)nn3-c2ccc(Cl)c(Cl)c2)cc1 1865702279 RMNUOQUJKYLLSH-QFIPXVFZSA-N 468.388 5.552 50 10 JKGE COCCOc1ccc(/C=C(\C#N)C(=O)Nc2sc(C)c(-c3ccccc3)c2C(=O)OC)cc1 1866215498 ZOIWYIOUFSBRKE-HMMYKYKNSA-N 476.554 5.081 50 10 JKGE COc1cccc(-c2csc(/C(C#N)=C(O)/C(=C/c3ccc(OC)c(OC)c3)c3ccccc3)n2)c1 1872744163 IKIMYNJOYBBDFX-MOEACLASSA-N 496.588 6.869 50 10 JKGE CCCOc1ccc(-c2csc(/C(C#N)=C(\O)COc3ccc(C)cc3C(C)(C)C)n2)cc1 1872749362 NZKNEELKTOENAZ-FLFQWRMESA-N 462.615 7.077 50 10 JKGE CCCCCCCOc1ccc(-c2csc(/C(C#N)=C(\O)Cc3ccc(F)cc3F)n2)cc1 1872753345 SLOARMGTVJOARZ-LVWGJNHUSA-N 468.569 7.473 50 10 JKGE COc1cc(C)c(-c2csc(/C(C#N)=C(\O)COc3ccc(Cl)c(C)c3)n2)cc1C(C)C 1872753568 CXQXMHMVCGTBMO-ATJXCDBQSA-N 469.006 7.084 50 10 JKGE COc1c(C)cc(Cl)cc1-c1csc(/C(C#N)=C(\O)CCCOc2ccc(Cl)cc2)n1 1872757024 MWHMOCQBBDEYRA-VZCXRCSSSA-N 475.397 7.086 50 10 JKGE COc1ccc(OC)c(-c2csc(/C(C#N)=C(\O)c3c(Cl)ccc(Cl)c3Cl)n2)c1 1873920327 DCFXWMBZJMRIEU-UNOMPAQXSA-N 467.761 6.737 50 10 JKGE CC(C)(C)OC(=O)N[C@@H](CBr)C1CCC2(CC1)CCN(C(=O)OC(C)(C)C)C2 1885097127 OKQQLYGLRQLUTD-TZQQIIETSA-N 461.441 5.092 50 10 JKGE Clc1ccc(I)cc1CC[C@H](Br)COCc1ccccc1 1893661606 QBDAFGDHSJKTHP-HNNXBMFYSA-N 479.583 5.858 50 10 JKGE Cc1cc(Br)c(F)c(C(=O)N(Cc2ccccc2)[C@H](C)CCBr)c1 1915116094 QEZUTVPSVGQLBW-CQSZACIVSA-N 457.181 5.713 50 10 JKGE Cc1c(Br)sc([C@@H](Cl)c2ncsc2Br)c1Br 1922883265 JIZBYONICVAEID-YFKPBYRVSA-N 466.445 6.129 50 10 JKGE Cc1c(Br)sc([C@@H](Br)c2cc3sccc3s2)c1Br 1922896670 GZXYMGXZFWWJJX-JTQLQIEISA-N 487.101 7.342 50 10 JKGE Cc1c(Br)sc([C@H](Br)[C@]23CCCC[C@@H]2OCC3)c1Br 1922930622 UOQWKIVYWQSBSR-WFBYXXMGSA-N 473.068 6.367 50 10 JKGE Brc1cc(Br)c([C@H](Br)c2cccc3ccccc23)s1 1922954305 MUMGHRJRPHAPGJ-CQSZACIVSA-N 461.016 6.911 50 10 JKGE Cc1cc([C@H](Br)c2c(Br)sc(Br)c2Cl)cc(C)c1F 1923040692 WAJYDTREHOZIFH-VIFPVBQESA-N 491.445 7.167 50 10 JKGE CCCC[C@@H](CC)[C@@H](Br)c1c(Br)sc(Br)c1Cl 1923049145 LCKOXFFGGXSHJF-VXNVDRBHSA-N 467.492 7.579 50 10 JKGE C[C@@H]1OCCO[C@H]1[C@H](Br)c1c(Br)sc(Br)c1Cl 1923067122 YSQBSUBMWPQYER-CVTKMRTPSA-N 469.420 5.166 50 10 JKGE CCC1(C)CC([C@@H](Cl)c2c(Br)sc(Br)c2Br)C1 1924568929 NMOIFLWSGFJQHE-ATZMEGNHSA-N 465.476 7.142 50 10 JKGE Cl[C@@H](c1c(Br)sc(Br)c1Br)C1CCCCCC1 1924584439 XWVJJUILPZXPJE-SNVBAGLBSA-N 465.476 7.286 50 10 JKGE C[C@H](C1CCC1)[C@@H](Br)c1c(Br)sc(Br)c1Br 1924607932 AYHNZEUWXBLYDL-SVGQVSJJSA-N 495.900 6.908 50 10 JKGE O=C(N[C@@H](CBr)CC1CCCCC1)c1scc(Br)c1Br 1926720392 HEFKQLNFLPSVFK-SNVBAGLBSA-N 488.083 5.737 50 10 JKGE BrCC(CBr)(Cc1ccc(I)cc1)C1CC1 1936743889 DLQDARSIRMBNPG-UHFFFAOYSA-N 457.975 5.020 50 10 JKGE C[C@@H](C1CC1)N(Cc1ccccc1)c1c(CBr)ccc(Br)c1Cl 1939323848 QSURVIKYUQBJIC-ZDUSSCGKSA-N 457.637 6.803 50 10 JKGE FC(F)CC1([C@H](Br)c2cc(Br)sc2Br)CCC1 1946574911 SGLRPAJBRSGVSU-SECBINFHSA-N 452.984 6.535 50 10 JKGE Cc1cc(Cl)c(Br)cc1[C@@H](Br)c1sncc1Br 2023711216 SSWFKXFGMLSVJF-SNVBAGLBSA-N 460.416 6.114 50 10 JKGE Brc1cc([C@H](Br)[C@]23CCCC[C@@H]2OCC3)c(Br)s1 2031752686 QPJXLNKCAXQTBJ-GAFUQQFSSA-N 459.041 6.058 50 10 JKGE Clc1c(Br)ccc(CBr)c1Oc1cccc(Br)c1 2036850869 XKBVJCHXVQOANM-UHFFFAOYSA-N 455.371 6.552 50 10 JKGE CN1C(=CC=NNC(=O)c2ccc(CSc3nc4ccccc4[nH]3)cc2)C(C)(C)c2ccccc21 2042446302 XJJMHVXNAMEFIH-UHFFFAOYSA-N 481.625 5.882 50 10 JKGE C[C@@H](CCCCCI)NC(=O)c1ccc(OCc2ccccc2)cc1 2054153904 GKHHZOKMSDGXFK-KRWDZBQOSA-N 451.348 5.379 50 10 JKGE Clc1ccc(C[C@@H](Br)c2ccccc2Br)c(Br)c1 2077801129 GXQNUVVNQLXOIV-CQSZACIVSA-N 453.399 6.544 50 10 JKGE Cc1cc(Cl)c(Br)cc1[C@H](Br)c1c(C)nsc1Br 2082390582 VJUFHZZLUWUUCH-NSHDSACASA-N 474.443 6.423 50 10 JKGE COc1cc(Br)c(C)cc1[C@H](Br)c1cccc(OCc2ccccc2)c1 2089722977 ODHMOUZXGJNQEH-JOCHJYFZSA-N 476.208 6.829 50 10 JKGE Fc1ccc(Br)c(F)c1C[C@H](Br)c1ccc(Br)cc1 2113491040 KILQNAUVOOFIHN-LBPRGKRZSA-N 454.934 6.169 50 10 JKGE CC(C)[C@H](CBr)N(Cc1ccccc1)S(=O)(=O)c1cc(Cl)c(F)cc1F 2121055348 RAKCQMYJZADZAL-KRWDZBQOSA-N 466.775 5.229 50 10 JKGE Cc1c(Br)sc([C@@H](Br)C(F)(F)C2CCCCC2)c1Br 2128820083 ZKTFTAHWHVFSKM-LLVKDONJSA-N 481.038 7.233 50 10 JKGE CC(C)(C)[C@@H]1C[C@@H]1COc1c(Br)cc(CBr)cc1Br 2135642807 ZVWWZBRMEJKJLI-GHMZBOCLSA-N 455.028 6.168 50 10 JKGE CC(C)OC(C)(C)CC(CBr)(CBr)c1cccc(Br)c1 2143499801 WYQLVWYVBZYAPB-UHFFFAOYSA-N 471.071 6.070 50 10 JKGE Brc1cccc([C@@H](CI)OCCOC2CCCCC2)c1 2143651038 RQVQIBAZKAXBRW-MRXNPFEDSA-N 453.158 5.291 50 10 JKGE Cl[C@@H](c1cc(Br)cc2c1OCC2)c1c(Br)cccc1Br 2150495669 YMEHIHPGOLCWDC-AWEZNQCLSA-N 481.409 6.237 50 10 JKGE Cn1nc([C@@H](Br)c2csc3c(Br)cccc23)c(Cl)c1Cl 2150716666 DDHLTBJKAGKSRT-VIFPVBQESA-N 455.002 6.188 50 10 JKGE Cc1sc(Br)cc1[C@H](Br)c1ccc(Br)c2ccccc12 2152047193 DYHAOSFXZCXRAH-MRXNPFEDSA-N 475.043 7.219 50 10 JKGE Fc1cc2c(cc1Br)nc(CCl)n2[C@@H]1CCCCN(Cc2ccccc2)C1 2158570737 FYTHJYXJGUWSSX-MRXNPFEDSA-N 450.783 5.904 50 10 JKGE CC(C)(C)OC(=O)N1CC[C@H](C(F)(F)F)N(CC2(CBr)CCCCC2)CC1 2163064483 USGSGEWALXGMOD-OAHLLOKOSA-N 457.375 5.206 50 10 JKGE O=[N+]([O-])c1ccccc1C[C@H](Br)c1cc(I)ccc1F 2169667319 ZJADDKJCPOLJJZ-LBPRGKRZSA-N 450.045 5.017 50 10 JKGE C[C@H]1Cc2cc(Br)cc([C@@H](Cl)c3cc(Br)c(Cl)s3)c2O1 2172560976 WAQKWCDKEXMCMH-PWCHPLFNSA-N 457.014 6.578 50 10 JKGE COC[C@]1([C@H](Br)c2c(C)c(Br)cc(C)c2Br)CCCO1 2201066146 XHJODPPZQLIERR-CABCVRRESA-N 471.027 5.460 50 10 JKGE Cc1cc(Br)c(C)c([C@H](Br)C2CCC(C)(C)CC2)c1Br 2201073448 OWTOKNPLHAGIJB-MRXNPFEDSA-N 467.083 7.481 50 10 JKGE Cc1cc(Br)c(C)c([C@H](Br)C[C@@H]2CCC[C@@H]3C[C@@H]23)c1Br 2201079130 QVIPXWWKRFLZBJ-QVHKTLOISA-N 465.067 7.091 50 10 JKGE Fc1cc(Br)c([C@H](Cl)Cc2ccccc2I)c(F)c1Cl 2201617423 VHFRMQYRHOFLLS-SECBINFHSA-N 491.928 6.508 50 10 JKGE COc1c(C)cc(Br)cc1[C@@H](Br)c1cc(Br)ccc1F 2206563877 CQFFDADDUUPREU-AWEZNQCLSA-N 466.970 6.152 50 10 JKGE Cc1c(Br)csc1[C@@H](Cl)c1cc(Br)sc1Br 2210635586 LDBCTJAWKVGXRF-QMMMGPOBSA-N 465.457 6.734 50 10 JKGE Cc1c(Br)sc([C@@H](Br)c2cc(Br)c(Cl)s2)c1C 2213625213 SNMOZMMHBJXGLO-QMMMGPOBSA-N 479.484 7.089 50 10 JKGE Clc1cc(Br)ccc1C[C@H](Br)c1cscc1OCc1ccccc1 2215851105 CCESWPRUEMKRIZ-KRWDZBQOSA-N 486.656 7.422 50 10 JKGE Clc1cc(Br)c([C@H](Cl)c2csc(Br)c2)c(Cl)c1Cl 2217613230 MHJMVFSREWWSRX-SECBINFHSA-N 469.840 7.562 50 10 JKGE Cc1ccc([C@@H](C)[C@@H](Br)c2sc(Br)cc2Br)cc1 2223963533 JNUWJNDERVXXCV-NOZJJQNGSA-N 453.037 6.821 50 10 JKGE CCOCc1cc(Br)c([C@H](Br)c2cnn(C)c2Br)s1 2224792439 QCEFLZMQYZDORE-SNVBAGLBSA-N 473.028 5.027 50 10 JKGE CCC(CC)(CC)[C@@H](Br)c1c(Br)cc(C)c(Br)c1C 2227357426 VLYVGKZOJRRAMK-HNNXBMFYSA-N 455.072 7.481 50 10 JKGE Cc1cc(Br)c([C@H](Br)c2c(C)nn(C)c2Br)c(C)c1Cl 2232528249 RNAMGEUIOXPFIE-LBPRGKRZSA-N 485.445 6.008 50 10 JKGE C[C@@H](Cl)c1nc2c(F)cc(Br)cc2n1C[C@H]1CC1(Br)Br 2233039826 MOHGVXOKMKLUTF-RNFRBKRXSA-N 489.408 5.744 50 10 JKGE C[C@@H](Cl)c1nc2cc(F)c(Br)cc2n1C[C@@H]1CC1(Br)Br 2233041659 UKARYEJVBQMKAZ-RQJHMYQMSA-N 489.408 5.744 50 10 JKGE Fc1cc(Br)c(Br)cc1[C@@H](Br)c1cc(F)c(F)c(F)c1 2233976985 RVKNFLAQWLWWHJ-LBPRGKRZSA-N 476.887 6.252 50 10 JKGE BrC[C@@]12CCCC[C@@H]1CN(Cc1c(Br)cccc1Br)C2 2239171151 GKZRTTHBDFNVOX-MLGOLLRUSA-N 466.055 5.599 50 10 JKGE Cc1cc(Cl)c(Cl)cc1[C@H](Br)c1cccc(I)c1 2253413841 HEZKXZBTWHOOTD-CQSZACIVSA-N 455.948 6.391 50 10 JKGE CCc1cc([C@H](Br)c2ccc(Cl)c(Br)c2)sc1Br 2255989380 SESPEGPEVHEWCS-GFCCVEGCSA-N 473.455 6.973 50 10 JKGE COc1ccc([C@H](Br)c2occc2Br)c(Br)c1Cl 2256327911 UBCKNPHYRKYZCT-JTQLQIEISA-N 459.359 5.951 50 10 JKGE CS(=O)(=O)C1CC([C@@H](Br)c2c(Cl)sc(Br)c2Cl)C1 2257527125 RBIJYBWELGOCJM-KGMSYRRLSA-N 457.036 5.077 50 10 JKGE Cc1cc(F)c(Br)cc1[C@H](Br)c1sc(Br)c(C)c1C 2270454321 WMXPUHMBTGAROS-LBPRGKRZSA-N 471.027 6.822 50 10 JKGE COCCCCCCOc1c(Br)cc(Br)cc1CBr 2271929356 NCXZMJMJUYLYFL-UHFFFAOYSA-N 459.016 5.692 50 10 JKGE Cc1cc(Br)c([C@@H](Br)[C@@]23C[C@@H](CO2)C3(C)C)cc1Br 2273630065 ZUNZSSQWBSJIGG-JBCWJZNQSA-N 453.012 5.771 50 10 JKGE FC(F)c1cscc1[C@@H](Br)Cc1cc(Br)cc(Br)c1 2277962403 HEDNLXIOANYJOK-LBPRGKRZSA-N 474.990 6.889 50 10 JKGE COc1ccc([C@@H](Br)c2sc(Cl)cc2Br)c(Cl)c1OC 2283450034 AEWIHKWVEHIMEC-SNVBAGLBSA-N 461.002 6.319 50 10 JKGE COc1ccc(Br)c2c1nc(CCl)n2C(C)(C)CN(C)Cc1ccccc1 2286083308 HGXAXXRDWBCXSO-UHFFFAOYSA-N 450.808 5.413 50 10 JKGE Fc1cc(Br)c(F)c(Br)c1[C@H](Br)[C@@H]1CCCC12CCC2 2288347712 XCMODDSLJMWGII-QPUJVOFHSA-N 472.993 6.896 50 10 JKGE N#CC(C(=O)Nc1ccccc1)=C1S[C@@H](Cc2ccccc2Cl)C(=O)N1c1ccc(F)cc1 2293039028 VIAFLZVBDBVPPI-QFIPXVFZSA-N 477.948 5.544 50 10 JKGE CC(C)(C)c1ccc(OCCOc2ccc(C=C(C#N)C(=O)NCc3ccccc3)cc2)cc1 2293110763 LSYKDZFVGUHVNF-UHFFFAOYSA-N 454.570 5.665 50 10 JKGE COc1ccc([C@H](Br)Cc2cc(Br)cc(Br)c2)cc1C 2295264247 CQMBCBAIVOCELF-OAHLLOKOSA-N 463.007 6.207 50 10 JKGE Brc1cc(Br)cc(C[C@H](Br)C2C3(CCC3)C23CCC3)c1 2295331281 HJTIFWSJWSJDBC-AWEZNQCLSA-N 463.051 6.488 50 10 JKGE COC12CCC([C@H](Br)Cc3cc(Br)cc(Br)c3)(CC1)C2 2295335629 MOSPTSZIMKEDMY-QQFBHYJXSA-N 467.039 5.867 50 10 JKGE N#CC(=CNc1ccc(Cl)cc1Cl)c1nc(-c2ccc(Br)cc2)cs1 2295891546 IQJRAAAMXCVLPC-UHFFFAOYSA-N 451.176 6.856 50 10 JKGE Cc1ccc(N2C(=O)[C@H](Cc3ccccc3C)SC2=C(C#N)C(=O)NCc2ccccc2)cc1 2296820069 OHVDGDQYOOHHHF-VWLOTQADSA-N 467.594 5.046 50 10 JKGE COc1cc([N+](=O)[O-])ccc1NC(=O)C(C#N)=Cc1cccc(OCc2ccccc2Cl)c1 2297491138 ASOGOZRYLHIBML-UHFFFAOYSA-N 463.877 5.381 50 10 JKGE CC(F)(F)[C@@H]1C[C@@H]1[C@H](Br)c1ccc(OCc2ccccc2)cc1Br 2299489960 UTDKOTAGBYAOBA-LZLYRXPVSA-N 460.156 6.755 50 10 JKGE C[C@@H](C[C@@H](Br)c1cc(Br)ccc1OCc1ccccc1)C(C)(C)C 2299499973 BEMMWDBLWBFZHY-HNAYVOBHSA-N 454.246 7.536 50 10 JKGE CCC[C@@H](CCBr)NCc1ccc(I)c(Br)c1 2306221965 OGVGDROOORIRTQ-NSHDSACASA-N 475.006 5.097 50 10 JKGE Cc1c(Cl)cccc1NC(=O)C(C#N)=Cc1ccc(OCc2ccc(Cl)cc2Cl)cc1 2313730197 DDDNUMDNFCQNDI-UHFFFAOYSA-N 471.771 7.080 50 10 JKGE Cc1c([C@H](Cl)c2ccc(OCc3ccccc3)cc2Br)nn(C)c1Br 2314444449 LHOCDJWVSPJCRG-QGZVFWFLSA-N 484.619 6.161 50 10 JKGE Brc1ccc(OCc2ccccc2)c([C@@H](Br)c2cc3sccc3s2)c1 2314450252 XPTSUHFMQMEORJ-HXUWFJFHSA-N 494.273 7.789 50 10 JKGE CC(C)(C1CCCC1)[C@@H](Br)c1cc(Br)ccc1OCc1ccccc1 2314453796 ZQKJQNIEMMLRCF-NRFANRHFSA-N 466.257 7.681 50 10 JKGE N#CC(=Cc1ccc(-c2cccc(Cl)c2)o1)c1nc(-c2ccc(Br)cc2)cs1 2314456988 OVENSVJYZCNEKX-UHFFFAOYSA-N 467.775 7.550 50 10 JKGE COc1ccc(C=C(C#N)C(=O)Oc2ccc(C=C(C#N)c3ccc(Cl)cc3)cc2OC)cc1 2314735657 XLVCNSKVRPIGNI-UHFFFAOYSA-N 470.912 5.934 50 10 JKGE COc1cc(C=C(C#N)C(=O)NC(C)C)ccc1OC(=O)c1ccccc1CCc1ccccc1 2314740970 PURXPFKSWYIFEJ-UHFFFAOYSA-N 468.553 5.131 50 10 JKGE Cc1nc(Br)c([C@@H](Br)c2c(Cl)sc(Cl)c2Cl)n1C 2315599255 ULZOHPXNXLLJOK-YFKPBYRVSA-N 453.414 5.997 50 10 JKGE CC1(C)C[C@H](Br)CN(Cc2ccc(I)c(Br)c2)C1 2325219462 YYTVAUBUDQORHS-NSHDSACASA-N 487.017 5.049 50 10 JKGE Cc1cc(OCc2ccc(CCl)cc2)cc2c1C(=O)C(=Cc1ccc(Cl)cc1Cl)O2 2325339807 PKNCCSXODHKQNG-UHFFFAOYSA-N 459.756 7.236 50 10 JKGE CCCCCCCCCOc1ccc(C=C(C#N)c2nc3cc(C)ccc3n2C)c(Cl)c1 2331018572 QCVKYYHNLLQNHJ-UHFFFAOYSA-N 450.026 7.729 50 10 JKGE CCn1c(C(C#N)=Cc2ccc(OC(=O)c3cccc([N+](=O)[O-])c3)c(OC)c2)nc2ccccc21 2331071823 NYRBGNLCARFLPR-UHFFFAOYSA-N 468.469 5.256 50 10 JKGE CC[C@@H](C)[C@@H](C(O)=C(C#N)c1nc(-c2ccc(OC)cc2)cs1)N1C(=O)c2ccccc2C1=O 2331276356 LYXHOHJJTPQEKM-QRQCRPRQSA-N 473.554 5.322 50 10 JKGE COc1ccc(C)cc1-c1csc(C(C#N)=C(O)[C@@H]2CC(=O)N(c3cc(Cl)ccc3OC)C2)n1 2331323556 DGRSURVCPPEJQH-OAHLLOKOSA-N 495.988 5.635 50 10 JKGE CCCCOc1ccc(C(O)=C(C#N)c2nc(-c3cccc4ccccc34)cs2)cc1OCC 2331339425 GQLGHALFOSVJBZ-UHFFFAOYSA-N 470.594 7.491 50 10 JKGE COc1c(C)cc(Cl)cc1-c1csc(C(C#N)=C(O)[C@@H](C)Oc2ccc(Cl)cc2Cl)n1 2331392332 SCBHSVGKKNHJRZ-GFCCVEGCSA-N 495.815 7.348 50 10 JKGE COc1ccc(-c2csc(C(C#N)=C(O)c3c(Cl)ccc(Cl)c3OC)n2)c(OC)c1OC 2331412801 ISVWYUDUYGLJRE-UHFFFAOYSA-N 493.368 6.101 50 10 JKGE CCCC1CCC([C@H](Br)c2ccc(OCc3ccccc3)cc2Br)CC1 2336043870 JBYPXBMHKSUPAY-WFHLNLCJSA-N 480.284 8.071 50 10 JKGE Fc1ccc(Cl)c(F)c1[C@@H](Cl)c1ccc(OCc2ccccc2)cc1Br 2336053080 GVIGGYMQXFHJEH-IBGZPJMESA-N 458.129 7.288 50 10 JKGE CCOCc1cc(Br)c([C@H](Br)c2c(Br)ncn2C)s1 2337273629 CEKUINOAFCJLEM-SECBINFHSA-N 473.028 5.027 50 10 JKGE Cc1cc(Br)c(F)c(Br)c1[C@@H](Br)[C@@H]1C[C@H]1C(C)(F)F 2339653646 LJTUCXXALAOWHO-XSSZXYGBSA-N 464.945 6.386 50 10 JKGE Cc1cc(Br)c(F)c(Br)c1[C@H](Br)[C@H]1COCC1(C)C 2339657892 CKZHKMHXWLFLSU-LDYMZIIASA-N 458.991 5.768 50 10 JKGE Cc1scc([C@@H](Br)c2cc(Cl)c(Cl)c(Cl)c2Cl)c1Br 2343562014 MDKIKZCAYZZSFV-VIFPVBQESA-N 483.867 7.917 50 10 JKGE Cc1scc(CN(C)c2cc(Br)ccc2CBr)c1Br 2343704259 JVKHBOWCUMCLDF-UHFFFAOYSA-N 468.052 6.113 50 10 JKGE Brc1cc(C[C@@H]2Cc3ccccc3[C@@H]2Br)ccc1I 2349807148 MHOLHNCGYPAYNC-MLGOLLRUSA-N 491.992 5.905 50 10 JKGE ClCc1cc(OCc2ccc(I)c(Br)c2)c(Cl)cn1 2350076145 BPCWSGHJKQISQO-UHFFFAOYSA-N 472.935 5.420 50 10 JKGE CCCCCCCCCC[C@@H](Cl)c1cc(Br)ccc1OCc1ccccc1 2361169323 UHOMTPJBSZSJKF-HSZRJFAPSA-N 451.876 8.839 50 10 JKGE Fc1c(Br)cc(Cl)c([C@H](Br)C2CC3(CCCC3)C2)c1Br 2362223137 GEPTWECADNXKDU-GFCCVEGCSA-N 489.448 7.411 50 10 JKGE Fc1c(Br)cc(Cl)c([C@@H](Br)C2C[C@@H]3CC[C@H](C2)O3)c1Br 2362236448 CKXGZZRGZFKTIJ-HWGFMYQCSA-N 491.420 6.398 50 10 JKGE CCCc1sc(Br)cc1[C@@H](Br)c1c(F)cc(Br)cc1F 2363266130 AFJOKIMVXPPFNO-CQSZACIVSA-N 489.017 6.988 50 10 JKGE FC(F)(F)c1ccc(C[C@H](Cl)c2sc(Cl)cc2I)cc1 2363892391 SEILEHCRDNOCPP-VIFPVBQESA-N 451.078 6.548 50 10 JKGE Cc1cc(Br)c(F)c(Br)c1[C@H](Br)[C@H]1CCCCC12CC2 2365193181 ZHDSLZQUHJLJHT-ZWNOBZJWSA-N 469.030 7.066 50 10 JKGE CSc1sc(C)cc1[C@@H]1C(C#N)=C(N)N(c2cccnc2)C2=C1C(=O)C[C@@H](c1ccccc1)C2 2480049 JSZYLJNPXONONP-MHECFPHRSA-N 484.650 5.872 50 10 JKGE O=C(CCCNc1ccc(Br)cc1)N/N=C/c1cc2cccc3ccc4cccc1c4c32 20494375 CGSXWYAQYAWFQJ-OCSSWDANSA-N 484.397 6.689 50 10 JKGE COc1ccc2cc(C(=O)N/N=C/c3c(O)c(Br)cc4oc5c(c34)CCCC5)ccc2c1 27527889 ZZIJOCDVOSIPBC-UVHMKAGCSA-N 493.357 5.705 50 10 JKGE COc1ccc(/C(C#N)=C\c2ccc(OC(=O)/C=C/c3ccc(C(C)C)cc3)cc2)cc1OC 31901111 PCZCDLIKYITQHC-JSXHASAESA-N 453.538 6.510 50 10 JKGE COc1ccc(/C(C#N)=C\c2ccc(OC(=O)c3ccc(C(C)(C)C)cc3)c(OC)c2)cc1OC 31902052 OYWTWZLBHHSZLG-JCMHNJIXSA-N 471.553 6.293 50 10 JKGE Cc1ccc(C)c(OCCn2cc(/C=C(\C#N)C(=O)Nc3ccc(F)cc3)c3ccccc32)c1 33339555 ZXQMWLCDEICFCT-LTGZKZEYSA-N 453.517 6.022 50 10 JKGE N#C/C(=C/c1cccc(Oc2ccccc2)c1)c1nc(-c2cccs2)c(NC(=O)c2ccco2)s1 33633433 RSVBRBVCEUFLFW-CYVLTUHYSA-N 495.585 7.573 50 10 JKGE N#CC1=C(N)Oc2cc(OC(=O)c3ccc([N+](=O)[O-])cc3)ccc2[C@@H]1c1ccc(Cl)cc1Cl 38655274 XBVWJFSFTOSLDA-NRFANRHFSA-N 482.279 5.339 50 10 JKGE N#CC1=C(N)Oc2cc(OC(=O)c3ccccc3F)ccc2[C@H]1c1cccc(Oc2ccccc2)c1 38660918 SOIQPHYAPVRWPA-HHHXNRCGSA-N 478.479 6.055 50 10 JKGE CCc1ccc(OC(=O)c2oc3c(c2C)/C(=N/NC(=O)c2ccc(Br)cc2)CCC3)cc1 40811830 FMJRPAHSKGHYPX-NHFJDJAPSA-N 495.373 5.603 50 10 JKGE Cc1c(C(=O)Nc2ccccc2Cl)oc2c1/C(=N/NC(=O)c1ccccc1Cl)CCC2 40812703 GGICEVBEMCNYGV-OVVQPSECSA-N 456.329 5.618 50 10 JKGE C=CCc1cc(/C=N\NC(=O)CC[C@H](O)c2ccccc2)cc(OC)c1OCc1cccc(F)c1 58892055 BXJBZULCENAYCU-NYFJFQCHSA-N 476.548 5.106 50 10 JKGE CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(C)cc2C)ccc1OCc1ccccc1Cl 59201969 ZDHSIHPSOPGJCP-HYARGMPZSA-N 460.961 6.480 50 10 JKGE CCCCCC[N+](CCCCCC)(CCCCCC)CCCCCCCCSS(C)(=O)=O 77319878 UOKLOOGVBJFKJR-UHFFFAOYSA-N 492.900 8.578 50 10 JKGE in-vitro CCN(CC)C(=O)Oc1ccc2c(ccn2Cc2ccc(F)cc2)c1NC(=O)C(Cl)Cl 97941669 XTJXGDVPDWXFEW-UHFFFAOYSA-N 466.340 5.412 50 10 JKGE Cc1ccc(N2C(=O)[C@@H](Cc3ccc(C(C)C)cc3)S/C2=C(/C#N)C(=O)NCc2ccco2)cc1C 101242614 MSLLLJHHJKRHKP-SJCFVWOQSA-N 499.636 5.763 50 10 JKGE CC[C@H](C)N1C(=O)C(C#N)=C(C)/C(=C\c2cn(-c3ccccc3)nc2-c2ccc(F)cc2)C1=O 101334137 ZMLTUQNGJYUOGD-QIWJOQEQSA-N 454.505 5.069 50 10 JKGE CCCCCCCCOc1ccc(/C=C(/C#N)c2nc(-c3cc4ccccc4oc3=O)cs2)cc1 103311418 ZSNSFPMQLBEEBH-QJOMJCCJSA-N 484.621 7.720 50 10 JKGE CCOc1ccccc1N/C(SCc1c(F)cccc1Cl)=C(\C#N)C(=O)NCc1ccccc1 105423153 MGIOOANGQGSTQP-XHPQRKPJSA-N 496.007 6.275 50 10 JKGE Brc1cc([C@@H](Br)c2sccc2Br)c(Br)s1 111222951 UUHMZBZMTZSVLS-SSDOTTSWSA-N 495.881 6.581 50 10 JKGE Cc1sc(Br)cc1[C@@H](Br)c1ccc(I)cc1 114635277 KKYFGVOHMTYDPK-LBPRGKRZSA-N 471.983 5.908 50 10 JKGE ClCCc1nc2cc(Cl)c(Cl)cc2n1-c1ccccc1I 125168761 PUFMXIDVLPBFAQ-UHFFFAOYSA-N 451.522 5.718 50 10 JKGE Cc1cc(Br)c([C@@H](Br)c2ccc(C(C)(C)C)cc2)cc1Br 128800023 ZBHVEOXHBZRILL-KRWDZBQOSA-N 475.062 7.302 50 10 JKGE Cc1cc(Br)c([C@@H](Br)c2ccc(OC(F)F)cc2)cc1Br 128827606 FVBSJXIBPGVVBK-AWEZNQCLSA-N 484.960 6.606 50 10 JKGE Fc1cccc([C@@H](Cl)c2cc(Br)ccc2Br)c1Br 156071742 ZZMBKGNLGMIBKH-CYBMUJFWSA-N 457.362 6.441 50 10 JKGE CCCOc1cccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)/C=C\c4ccc(C)cc4)ccc32)c1 205658447 RKWSKYQVLUHUFS-WBLLEXCOSA-N 466.537 5.621 50 10 JKGE Cc1ccc([C@@H](Br)c2cc(Br)cc3c2OCC3)cc1Br 228441742 RIVIWJMAOQHVNY-OAHLLOKOSA-N 460.991 5.939 50 10 JKGE CCOc1ccc(Br)cc1[C@@H](Br)c1cccc(Br)c1Cl 228452770 QFYNPNGJBLIHCE-AWEZNQCLSA-N 483.425 6.748 50 10 JKGE CC(C)(C)[C@H](CCBr)NC(=O)c1cc(Br)ccc1Br 231172996 DVIPVNLRORXJLD-LBPRGKRZSA-N 456.016 5.141 50 10 JKGE Clc1ccc(I)c([C@H](Cl)c2cc(Br)cc3c2OCC3)c1 236032093 IVXMAOGMKVXYGA-AWEZNQCLSA-N 483.958 5.970 50 10 JKGE Clc1ccc(I)c([C@@H](Br)c2ccc(Cl)c(Cl)c2)c1 236069177 TUEKIQBBBQTTMU-ZDUSSCGKSA-N 476.366 6.736 50 10 JKGE COc1ccc(/C=C\C(=O)Oc2cccc(C=NNC(=O)c3ccc(C(C)(C)C)cc3)c2)cc1 254496355 YQVVFALVCXYOAE-KPTLMBKGSA-N 456.542 5.375 50 10 JKGE CCc1ccc(-c2cc(C(=O)NN=C(C)c3ccc(C(C)(C)C)cc3)c3cccc(Cl)c3n2)cc1 254746381 CTLGTOHLQSEWLB-UHFFFAOYSA-N 484.043 7.569 50 10 JKGE CC(C)(C)c1ccc([C@@H]2c3sc(=S)[nH]c3S[C@@H]3[C@H]4C[C@@H]([C@@H]5C(=O)OC(=O)[C@@H]54)[C@@H]23)cc1 256026135 NEELJKMUQOINLO-DVHVHUQNSA-N 457.642 5.291 50 10 JKGE Cc1ccc(S(=O)(=O)Nc2ccc(C(=O)NN=Cc3ccccc3OCc3ccccc3)cc2)cc1 263622445 ZAJYTGYLIVOEJL-UHFFFAOYSA-N 499.592 5.139 50 10 JKGE Cc1cc([C@H](Br)c2cc3c(cc2Br)OCC3)ccc1Br 308412558 HJQYNJXTHWRFAY-INIZCTEOSA-N 460.991 5.939 50 10 JKGE Cc1cc(C)c([C@H](Br)c2ccc(F)cc2Br)c(C)c1Br 312837717 UUPONBZBZDMSJX-MRXNPFEDSA-N 464.998 6.760 50 10 JKGE ClC[C@H](Cc1cc(Cl)ccc1I)c1ccc(Br)cc1 405535849 OVXKXOZZQIGZHE-LBPRGKRZSA-N 469.975 6.272 50 10 JKGE C[C@@H]1CCCN(C(=O)c2cc(Br)c(Br)s2)[C@H]1CCBr 697245067 GSPPPXIGICDEOW-SCZZXKLOSA-N 474.056 5.299 50 10 JKGE C[C@H](COc1c(Br)cc(CBr)cc1Br)CC(C)(C)C 709239436 DIRAOPWYHJGPAT-JTQLQIEISA-N 457.044 6.558 50 10 JKGE FC1(F)CCC[C@@H]1C[C@@H](Br)c1cc(Br)c(Br)s1 713930857 MJRXSMODELZXRI-RNFRBKRXSA-N 452.984 6.535 50 10 JKGE C[C@@H](Sc1ccccn1)C(=O)NN=C1C(=O)N(C(c2ccccc2)c2ccccc2)c2ccccc21 1084175903 DLLAMEXUBJLIDE-HXUWFJFHSA-N 492.604 5.219 50 10 JKGE Cc1ccc(-n2c(C)c(Br)c(C=NNC(=O)CSc3ccccc3)c2C)cc1 1084321638 VNNUIBHMQNQCIK-UHFFFAOYSA-N 456.409 5.407 50 10 JKGE O=C(C=C(Sc1ccccc1)Sc1ccccc1)NN=Cc1ccc(Br)cc1 1084369786 GIXFLQBDKOTJDM-UHFFFAOYSA-N 469.429 6.325 50 10 JKGE O=C(COc1ccc2c(c1Br)CCCC2)NN=Cc1ccc(Cl)cc1Cl 1084480556 CRPDQKAIAIRHAD-UHFFFAOYSA-N 456.167 5.164 50 10 JKGE C=CCn1c(CNc2cccc3ccccc23)nnc1SCC(=O)NN=C(C)c1ccc(C)cc1 1084539414 UTFOTBZVIGYZIB-UHFFFAOYSA-N 484.629 5.170 50 10 JKGE CCc1ccc(C(=O)NN(C(=O)c2cc(Cl)cc(S(=O)(=O)c3ccccc3)c2)C(C)(C)C)cc1 1088694925 APNAHGWQQXXDFI-UHFFFAOYSA-N 499.032 5.321 50 10 JKGE CCc1ccccc1NC(=O)c1oc2c(c1C)C(=NNC(=O)c1ccc3ccccc3n1)CCC2 1772751000 FPEVBHMTKCMAKC-UHFFFAOYSA-N 466.541 5.421 50 10 JKGE N#CC1=C(N)Oc2c(c(-c3ccccc3)nn2Cc2cccc(F)c2)[C@H]1c1cccc(Cl)c1 1865683109 GAJCEKYYPWWRFA-QFIPXVFZSA-N 456.908 5.609 50 10 JKGE Cc1ccc(Cn2nc(-c3ccccc3)c3c2OC(N)=C(C#N)[C@H]3c2cccc(Cl)c2)cc1 1865683934 QQIFTTOXFLWKEW-HSZRJFAPSA-N 452.945 5.778 50 10 JKGE COc1ccc(-c2nn(-c3ccc(Cl)cc3)c3c2[C@H](c2ccc(C(C)C)cc2)C(C#N)=C(N)O3)cc1 1865685607 KTFBWVGPFQZHQF-RUZDIDTESA-N 496.998 6.543 50 10 JKGE COc1ccc(-c2nn(Cc3ccc(C)cc3)c3c2[C@@H](c2ccccc2Cl)C(C#N)=C(N)O3)cc1 1865686148 RYEYKGPWYDDGSF-DEOSSOPVSA-N 482.971 5.787 50 10 JKGE CCCCOc1ccc([C@H]2C(C#N)=C(N)Oc3c2c(C(F)(F)F)nn3-c2ccccc2)cc1 1865690154 KAUAZBVHPBACEO-IBGZPJMESA-N 454.452 5.288 50 10 JKGE Cc1nn(C)c2c1[C@H](c1ccc(OCc3ccccc3)c(OCc3ccccc3)c1)C(C#N)=C(N)O2 1865712212 SISNVKJRVQIBSQ-HHHXNRCGSA-N 478.552 5.105 50 10 JKGE CSCC[C@@H](NC(=O)CCc1csc(-c2ccccc2)n1)C(=O)Nc1ccc(SC#N)cc1 1867048533 FIFYIVKQZLYKNJ-OAQYLSRUSA-N 496.683 5.192 50 10 JKGE CCCc1nc(Nc2ccc(SC#N)cc2)cc(N2CCN(C)[C@H](c3ccc(F)cc3)C2)n1 1868388577 KZDPPLVIAIZHIR-QFIPXVFZSA-N 462.598 5.378 50 10 JKGE COc1ccc(-c2csc(/C(C#N)=C(\O)CCCOc3ccc(Cl)cc3Cl)n2)cc1C 1872746489 KEQPVPURPKSIFT-JZJYNLBNSA-N 475.397 7.086 50 10 JKGE COc1ccccc1-c1csc(/C(C#N)=C/c2cc(Br)cc(Br)c2O)n1 1872784308 JRRALGFKKGFADL-WUXMJOGZSA-N 492.192 6.113 50 10 JKGE CCCCCCCOc1ccc(-c2csc(/C(C#N)=C/c3cc(Cl)ccc3O)n2)cc1 1872791700 QTYOSKPHERTYJL-XSFVSMFZSA-N 453.007 7.582 50 10 JKGE CCOc1ccc(/C=C(\C#N)c2nc(-c3cc(C(C)C)c(OC)cc3C)cs2)cc1OCC 1872793250 QEACQHLZSDSQDT-UDWIEESQSA-N 462.615 7.112 50 10 JKGE BrCc1cc(Br)cc(Br)c1OC[C@@]12CCCC[C@@H]1C2 1880375627 HCITZKMQOZQLGW-ABAIWWIYSA-N 453.012 6.066 50 10 JKGE C[C@H](Br)CN(Cc1ccccc1)Cc1ccc(Cl)c(I)c1 1887439267 WASOOHLVVJWYDO-ZDUSSCGKSA-N 478.599 5.730 50 10 JKGE Clc1ccc(I)cc1CN(CCBr)Cc1ccccc1 1893661197 JVXGNYXXYAYAIR-UHFFFAOYSA-N 464.572 5.342 50 10 JKGE FC1(F)[C@H]([C@H](Br)c2sc(Br)cc2Br)C12CCCC2 1922905969 FDWMXYVPQJMVGV-PSASIEDQSA-N 464.995 6.535 50 10 JKGE Fc1cc(Br)cc(F)c1[C@H](Cl)c1sc(Br)cc1Br 1922955067 VYEIGDPUZAIUQP-JTQLQIEISA-N 481.381 6.642 50 10 JKGE Clc1c(Br)sc(Br)c1[C@H](Br)c1cnsc1 1923061641 LRAZVJDRNLCOQG-RXMQYKEDSA-N 452.418 5.867 50 10 JKGE Fc1cccc(F)c1C[C@@H](Br)c1c(Br)sc(Br)c1Cl 1923067428 CHVNHVGMZKPJCT-ZCFIWIBFSA-N 495.408 6.883 50 10 JKGE C[C@@H](C1CCCC1)[C@@H](Br)c1c(Br)sc(Br)c1Cl 1923876543 GCUHKMLUWIZCJE-IMTBSYHQSA-N 465.476 7.189 50 10 JKGE CCc1cscc1[C@@H](Cl)c1c(Br)sc(Br)c1Br 1924568731 KSVDYBGANPKFDS-SECBINFHSA-N 479.484 6.988 50 10 JKGE CCC1CCC([C@@H](Cl)c2c(Br)sc(Br)c2Br)CC1 1924590151 HSHXSFQCTVJFLS-OIAXGBPSSA-N 479.503 7.532 50 10 JKGE CC1(C)C[C@@]1(C)[C@@H](Br)c1c(Br)sc(Br)c1Br 1924611869 GVMYLHFIBQNONH-CPCISQLKSA-N 495.900 6.908 50 10 JKGE Brc1sc(Br)c([C@@H](Br)[C@H]2CC23CCC3)c1Br 1924616827 TZORKTDHKKKMDJ-VDTYLAMSSA-N 493.884 6.662 50 10 JKGE O=C(O)CC[C@H](CCCC[C@H]1CCSS1)NC(=O)OCC1c2ccccc2-c2ccccc21 1951642820 BODAJCLNTJIMLC-OALUTQOASA-N 485.671 6.473 50 10 JKGE Cl[C@H](C[C@@]12CCC[C@H]1C2)c1c(Br)sc(Br)c1Br 2010968341 NNQKRXBPYLHJOG-KJNMHVQDSA-N 463.460 6.896 50 10 JKGE CS(=O)(=O)c1csc([C@H](Cl)c2cc(Br)sc2Br)c1 2032178018 SEKFKCIUXZJLRO-SECBINFHSA-N 450.626 5.066 50 10 JKGE C[C@@H](N(Cc1ccccc1)S(=O)(=O)c1cc(CCl)sc1Br)C(C)(C)C 2034778769 QXRVPAICWMNLLI-CYBMUJFWSA-N 464.878 5.875 50 10 JKGE C[C@]1([C@H](Br)c2cc(Br)sc2Br)CCCC(F)(F)C1 2068383535 IPGVHBSRDMPNGP-KOLCDFICSA-N 467.011 6.925 50 10 JKGE BrCc1ccc(Br)cc1N1CCC[C@@H]1[C@H]1CCN(Cc2ccccc2)C1 2089001448 VODHIFIIAALJRE-PZJWPPBQSA-N 478.272 5.835 50 10 JKGE O=C(N[C@H](CBr)C1CCCCC1)c1csc(Br)c1Br 2093948207 WFCMATLQHCQZNK-SNVBAGLBSA-N 474.056 5.347 50 10 JKGE O=S(=O)(c1ccc(Br)c(CCl)c1)N(Cc1ccccc1)CC1CCCC1 2095813352 IMHUWWCLQWXROZ-UHFFFAOYSA-N 456.833 5.569 50 10 JKGE Cc1c(Br)sc([C@H](Br)[C@@H]2CCCC(C)(C)CC2)c1Br 2100837866 GRYXQUGFGNHDST-ZYHUDNBSSA-N 473.112 7.624 50 10 JKGE CC1(C)CCC[C@@H](Oc2c(Br)cc(CBr)cc2Br)C1 2107526011 YQARPVTZHAGPAP-LLVKDONJSA-N 455.028 6.454 50 10 JKGE FC1(F)[C@H]2C[C@@H](Oc3c(Br)cc(CBr)cc3Br)C[C@H]21 2107647443 MPXFHZZUKOOMAN-AYMMMOKOSA-N 460.938 5.529 50 10 JKGE Cc1cc(Br)c(CBr)c(N2CC[C@@]3(CCN(Cc4ccccc4)C3)C2)c1 2116825024 XBWCXUQCVDHLBJ-JOCHJYFZSA-N 478.272 5.755 50 10 JKGE CCC[C@@H]1CC[C@H](Br)[C@@H](Cc2cc(Br)ccc2Br)C1 2118525814 YDOHNHUSFKMZJI-JMSVASOKSA-N 453.056 6.734 50 10 JKGE Cn1cnc2sc([C@@H](Br)c3cc(Br)ccc3Br)cc21 2118614680 XZXQNYASKCACLY-LBPRGKRZSA-N 465.008 5.644 50 10 JKGE COCCC1([C@@H](Br)c2c(C)c(Br)cc(C)c2Br)CC1 2136368749 APQZJTAWNMUSGV-AWEZNQCLSA-N 455.028 6.081 50 10 JKGE Cn1ncc([C@@H](Cl)c2c(Br)cc(F)c(Cl)c2F)c1I 2136955940 OJWSVFOFSZAFHW-MRVPVSSYSA-N 481.893 5.047 50 10 JKGE Br[C@@H](c1ccc(-c2cccs2)s1)c1ccccc1I 2140977368 MUXACSSOEOXFHA-OAHLLOKOSA-N 461.187 6.566 50 10 JKGE C[C@@]12CC[C@@](CBr)(C1)N(Cc1ccc(I)c(Cl)c1)C2 2142944441 SRXALEBGNYWOBH-CABCVRRESA-N 454.577 5.084 50 10 JKGE Clc1cc(COc2cccc(Cl)c2CBr)ccc1I 2142944568 BYKOLKGPDPBYJK-UHFFFAOYSA-N 471.947 6.072 50 10 JKGE COCc1cc(Br)c([C@@H](Br)c2cc(C)cc(Br)c2F)s1 2145593439 NEQMWZVHXRPYJF-LBPRGKRZSA-N 487.026 6.351 50 10 JKGE O=C(N[C@@H](CBr)C1CCCCC1)c1cccc(Br)c1Br 2148756066 JMRCEIAVVWZLFT-ZDUSSCGKSA-N 468.027 5.285 50 10 JKGE Fc1cc(Br)c([C@@H](Cl)c2c(Br)cccc2Br)c(F)c1F 2150493812 DKPIGUIYTLIBPY-NSHDSACASA-N 493.342 6.720 50 10 JKGE Cc1c(Br)sc([C@@H](Br)C23CC(C)(C2)OC32CCC2)c1Br 2157462959 AHBNYXUPDJNPLH-LMWSTFAQSA-N 485.079 6.509 50 10 JKGE Clc1cc(Br)cc(C[C@H](CBr)Cc2cccc(Br)c2)c1 2166833166 SGFHCIALJPJCKG-CYBMUJFWSA-N 481.453 6.661 50 10 JKGE CN(Cc1snc(Cl)c1Cl)c1c(CBr)ccc(Br)c1Cl 2167215922 SXUJVYWMGAVWAG-UHFFFAOYSA-N 479.452 6.397 50 10 JKGE C[C@@H]1C[C@H](C(F)(F)F)N(C[C@@H](CBr)C2CCC2)CCN1C(=O)OC(C)(C)C 2178264758 TUODHEUQMPJTFN-FVQBIDKESA-N 457.375 5.060 50 10 JKGE Br[C@H](c1csc(I)c1)c1c2c(cc3c1CCC3)CCC2 2193145964 VBJFIBQCNCGFEL-QGZVFWFLSA-N 459.190 5.814 50 10 JKGE COc1cc(Cl)c([C@H](Cl)c2ccc(Cl)cc2Br)cc1Br 2202347855 WXZNRBZCKYLKHH-CQSZACIVSA-N 459.392 6.855 50 10 JKGE COc1c(Br)cc(C)cc1[C@@H](Br)Cc1ccc(Br)cc1 2203830602 SWNFZCATLQOPLJ-AWEZNQCLSA-N 463.007 6.207 50 10 JKGE CCC[C@@H](Br)Cc1sc(Br)c(Br)c1Br 2209978542 YPJCDTIQKUKCLB-RXMQYKEDSA-N 469.862 6.142 50 10 JKGE Cc1ccc(Br)c([C@@H](Br)c2sc(Br)c(C)c2C)c1 2218789874 JWDHKDJHJBZMOA-GFCCVEGCSA-N 453.037 6.683 50 10 JKGE Cc1cc(Br)c([C@@H](Br)[C@H](F)C(F)(F)F)c(C)c1Br 2220143678 FGKQYWRYZGIFKB-ZJUUUORDSA-N 456.897 6.165 50 10 JKGE Fc1cc(Br)c(Br)cc1[C@H](Br)C1(CC2CCC2)CC1 2225616939 KLJKPMTUIQORHG-AWEZNQCLSA-N 455.003 6.757 50 10 JKGE Fc1cc(Br)c(Br)cc1[C@H](Br)[C@@H]1CC[C@@H]2[C@H]1C2(F)F 2225618628 YYCPBWVOSDOIDX-GCXLSCLJSA-N 462.929 6.078 50 10 JKGE Clc1cc(Br)c([C@@H](Br)[C@H]2C[C@@H]3CC[C@H](C2)O3)c(Cl)c1Cl 2232508808 HGJGKVUKGLBXKQ-ZNWBZCOPSA-N 463.424 6.803 50 10 JKGE COc1ccc([C@@H](Br)c2cc(Br)c(C)s2)c(OC)c1Br 2234474974 ONOGZKNUKDJQIB-GFCCVEGCSA-N 485.035 6.083 50 10 JKGE COc1c(C)cc(Br)c(C)c1[C@H](Br)c1sc(C)cc1Br 2237632989 FZXQOKUEBHHBHT-ZDUSSCGKSA-N 483.063 6.691 50 10 JKGE Cl[C@@H](c1cccc(Br)c1Br)c1ccc2c(c1Br)CCO2 2238078048 ZHMKMJWPILVEER-HNNXBMFYSA-N 481.409 6.237 50 10 JKGE Fc1ccc(I)cc1[C@@H](Br)c1ccc([C@H]2CCOC2)s1 2240420455 AOJKJQSJFSHTTH-BJOHPYRUSA-N 467.141 5.480 50 10 JKGE Cc1sc([C@H](Br)c2ccc(I)cc2)c(Br)c1C 2246413836 NHZUEULFVWLOTE-GFCCVEGCSA-N 486.010 6.216 50 10 JKGE Fc1cc(Br)c(Br)cc1[C@H](Br)c1cocc1Br 2249421204 DPUZYORJHKHWEX-NSHDSACASA-N 491.774 6.191 50 10 JKGE Fc1cccc(I)c1[C@H](Br)Cc1ccncc1Br 2255958050 XUSNYLLDBVYVHB-SECBINFHSA-N 484.932 5.267 50 10 JKGE Clc1ccc(C[C@@H](Br)c2ccc(Cl)c(I)c2)cc1 2256365932 DAJUYTZIMQZDIP-GFCCVEGCSA-N 455.948 6.277 50 10 JKGE COc1ccc([C@H](Br)c2scc(Cl)c2Cl)cc1I 2257369536 NUOXTUSBQKFODL-JTQLQIEISA-N 477.976 6.152 50 10 JKGE COCC1([C@H](Br)c2cc(Br)sc2Br)CC(F)(F)C1 2263687818 XCMXHSLLCNOACW-MRVPVSSYSA-N 468.983 5.771 50 10 JKGE COC[C@@]1(C)C[C@@H]1COc1c(Br)cc(CBr)cc1Br 2269280588 OBVNQKYWVWXLGB-QMTHXVAHSA-N 457.000 5.158 50 10 JKGE COc1ccc([C@H](Cl)c2ccc(Br)cc2C)cc1I 2269538972 CVVBSTGEZPPGKG-HNNXBMFYSA-N 451.529 5.699 50 10 JKGE CO[C@@H]1CC[C@H]1C[C@H](Br)c1c(F)cc(Br)c(F)c1Br 2272730061 UFWOWKNQASVAAW-MHYGZLNHSA-N 462.954 5.741 50 10 JKGE CCc1cscc1[C@@H](Br)c1c(F)cc(Br)c(F)c1Br 2272732458 GRNLTQNLOHESLS-LLVKDONJSA-N 474.990 6.598 50 10 JKGE CC1(C)[C@H]([C@@H](Br)c2c(F)cc(Br)c(F)c2Br)C1(F)F 2272733962 KRYAPAIGRIACPJ-WPRPVWTQSA-N 468.908 6.217 50 10 JKGE CC(C)CC1([C@@H](Br)c2c(F)cc(Br)c(F)c2Br)CC1 2272844914 DYVXPGLVSCYFBZ-ZDUSSCGKSA-N 460.982 6.752 50 10 JKGE Brc1cc(Br)cc(C[C@H](Br)[C@@H]2CCCC23CCC3)c1 2277947456 IBTYZTRONOAAFJ-GJZGRUSLSA-N 451.040 6.488 50 10 JKGE COc1c([C@@H](Br)c2csc3c(Br)cccc23)csc1Cl 2284303133 GCXPXCWRCLEVSH-NSHDSACASA-N 452.620 6.872 50 10 JKGE FC(F)[C@@H]1CCC[C@H]1[C@H](Br)c1c(Br)cc(Cl)c(Cl)c1Cl 2285683768 UGTCWJYUHBTAKP-DGAHNEANSA-N 471.394 7.527 50 10 JKGE Fc1cc(Br)c(F)c(Br)c1[C@H](Br)[C@H]1Cc2ccccc21 2288362776 JQIVZKATYHAREC-TVQRCGJNSA-N 466.945 6.266 50 10 JKGE CC1(C)OCCC[C@H]1[C@H](Br)c1c(F)cc(Br)c(F)c1Br 2288364587 SWOGWYDVBMZKHC-CPCISQLKSA-N 476.981 6.131 50 10 JKGE N#CC(=Cc1ccc(OCc2ccc(Br)cc2)cc1)C(=O)N1CCc2ccccc2C1 2295181796 GAZJBXSPDKHRCN-UHFFFAOYSA-N 473.370 5.520 50 10 JKGE CC1(C)CCC[C@@H]([C@H](Br)Cc2cc(Br)cc(Br)c2)CC1 2295335550 LTMAQSRACDJOLZ-CZUORRHYSA-N 467.083 7.124 50 10 JKGE CCOC(=O)c1ccc(NC(=O)C(C#N)=Cc2ccc(-c3ccc(Br)cc3)o2)cc1 2296655606 IYAKFXYRYDNHCW-UHFFFAOYSA-N 465.303 5.431 50 10 JKGE CCCc1sc(Br)cc1[C@@H](Cl)c1csc(I)c1 2300645231 IIRXLPWTWUKPNT-LBPRGKRZSA-N 461.615 6.457 50 10 JKGE FC(F)(F)[C@H]1C[C@@H]([C@H](Br)c2sc(Cl)cc2I)C1 2307507780 IGGSAQVOBFESAU-UUEMRFSQSA-N 459.496 6.031 50 10 JKGE Cc1c(Br)sc([C@H](Br)[C@H]2CC[C@@H]3C[C@H]2CO3)c1Br 2312740963 BOEVEFBIICGQMD-QCBRBAQYSA-N 459.041 5.833 50 10 JKGE COc1cccc(NC(=O)C(C#N)=Cc2cc(Br)c(Sc3ccc(Cl)cc3)o2)c1 2313562537 VBRATMOKAPPSNL-UHFFFAOYSA-N 489.778 6.401 50 10 JKGE COc1cccc(C=C(C#N)C(=O)Nc2cccc(Cl)c2Cl)c1OCc1ccccc1 2313630902 HMWMEPNZERIPNC-UHFFFAOYSA-N 453.325 6.127 50 10 JKGE N#CC(=Cc1cccc(OCc2ccc(Cl)cc2)c1)C(=O)Nc1cccc(C(F)(F)F)c1 2313676849 PPNXZXLLRIHTFX-UHFFFAOYSA-N 456.851 6.483 50 10 JKGE Cc1ccc(Cl)cc1NC(=O)C(C#N)=Cc1cc(Cl)ccc1OCc1ccccc1Cl 2313724502 CXOGSCVGIABJQF-UHFFFAOYSA-N 471.771 7.080 50 10 JKGE Cc1oc(C)c([C@@H](Br)c2cc(Br)ccc2OCc2ccccc2)c1C 2314447865 CGSPZWUOEBLPPJ-NRFANRHFSA-N 464.197 7.031 50 10 JKGE COc1cccc(-c2nn(-c3ccccc3)cc2C=C2C(=O)N(C3CCCC3)C(=O)C(C#N)=C2C)c1 2314616594 FGVGXXBXMBHCLD-UHFFFAOYSA-N 478.552 5.083 50 10 JKGE CCC(C)(CC)[C@H](Br)c1c(Cl)cc(Br)c(F)c1Br 2315447970 UUWHZEYSSUZTSN-GFCCVEGCSA-N 465.426 7.266 50 10 JKGE Fc1c(Br)cc(Cl)c([C@H](Br)C2[C@@H]3CCC[C@@H]23)c1Br 2315448426 AABAAMFLJJNZTN-WHHMAUIRSA-N 461.394 6.486 50 10 JKGE COCc1ccc([C@H](Br)c2c(Cl)sc(Br)c2Cl)s1 2319548077 JACZGYLJWTVODF-QMMMGPOBSA-N 451.032 6.510 50 10 JKGE CCN(CC)S(=O)(=O)c1ccc(C(=O)Oc2cccc(C=C(C#N)c3cccc(Cl)c3)c2)cc1 2320506708 PRQRJDBMLDYNHZ-UHFFFAOYSA-N 495.000 5.654 50 10 JKGE CCOc1ccc2ccccc2c1C=NNC(=O)c1ccc2nc(-c3ccccc3O)[nH]c2c1 2323739685 DTYMTVSXAFMRFU-UHFFFAOYSA-N 450.498 5.251 50 10 JKGE CC(C)[C@H](NC(=O)OC(C)(C)C)C(=O)NN=Cc1ccc(OCc2ccc(Cl)c(Cl)c2)cc1 2328833302 KTELVGFAFLRNNU-NRFANRHFSA-N 494.419 5.572 50 10 JKGE Cc1c(Br)sc([C@H](Br)[C@H]2CC[C@@H]3[C@H](C2)C3(F)F)c1Br 2329709796 KQRMUXUQZDXWDT-PYHGXSLLSA-N 479.022 6.699 50 10 JKGE COc1ccc(-c2csc(C(C#N)=C(O)[C@H](C(C)C)N3C(=O)c4ccccc4C3=O)n2)cc1C 2331259218 BMBPDNJATVZQDL-QFIPXVFZSA-N 473.554 5.241 50 10 JKGE COc1ccc(OCC(O)=C(C#N)c2nc(-c3ccc(F)cc3F)cs2)c(C(C)(C)C)c1 2331286525 DSHPBKCUGPROJO-UHFFFAOYSA-N 456.514 6.266 50 10 JKGE N#CC(=C(O)c1ccc2c(c1)C(=O)N(C1CCCCC1)C2=O)c1nc(-c2cccc(Cl)c2)cs1 2331293862 LRBNHNUTYUCBTA-UHFFFAOYSA-N 489.984 6.342 50 10 JKGE CCOc1ccc(-c2csc(C(C#N)=C(O)Cc3ccc(Br)cc3)n2)c(OCC)c1 2331387069 WEOACUDBPIGXDA-UHFFFAOYSA-N 485.403 6.405 50 10 JKGE COc1c(C)cc(Cl)cc1-c1csc(C(C#N)=C(O)CNC(=O)c2ccc(Cl)cc2)n1 2331391940 XAZJMCQKCPVQFE-UHFFFAOYSA-N 474.369 5.657 50 10 JKGE COc1c(Cl)cc(-c2csc(C(C#N)=C(O)COc3ccc(Cl)cc3)n2)cc1Cl 2331397609 QVARLURNYIQVAA-UHFFFAOYSA-N 467.761 6.651 50 10 JKGE CCCCCOc1ccc(C=C(C#N)c2nc(-c3ccc4c(c3)CCCC4)cs2)cc1OCC 2331416602 LTNGIIKYGXREGK-UHFFFAOYSA-N 472.654 7.721 50 10 JKGE CCCCCCOc1ccc(C=C(C#N)c2nc(-c3ccc(C(C)(C)C)cc3)cs2)cc1OC 2331453306 BQSLHEHQPWJEFQ-UHFFFAOYSA-N 474.670 8.139 50 10 JKGE CC1(C)CCC[C@](CBr)(Cc2ccc(Cl)c(I)c2)O1 2337228218 UVLUOHNWTYFFLQ-OAHLLOKOSA-N 457.577 5.600 50 10 JKGE Cc1cc(Br)c(F)c(Br)c1[C@H](Br)[C@H]1C[C@@]1(C)C(F)F 2339657297 WWBVCMNNNLGXJE-CIQYLNAISA-N 464.945 6.386 50 10 JKGE CC1=C(C)C[C@](CBr)(Cc2c(Br)cccc2Br)CC1 2343302560 NSYBLKBOHDUZPX-INIZCTEOSA-N 451.040 6.656 50 10 JKGE ClCc1c(OCc2cc(I)ccc2Br)ccnc1Cl 2344693643 VZJFCXRRXHDQCR-UHFFFAOYSA-N 472.935 5.420 50 10 JKGE CN(Cc1cc(I)ccc1Cl)[C@@H](CCBr)C(F)(F)F 2352427161 DWQXDWJXGQAVCK-NSHDSACASA-N 470.498 5.092 50 10 JKGE Cc1cc(Cl)ccc1[C@H](Br)c1c(F)cc(Cl)c(Br)c1Cl 2360422468 HXOWYZCJJUFHPP-LBPRGKRZSA-N 461.383 7.341 50 10 JKGE Fc1c(Br)cc(Cl)c([C@@H](Br)[C@@H]2CC[C@H]3C[C@H]2CO3)c1Br 2362224287 KSKGDQOLWMPRES-ZNWBZCOPSA-N 491.420 6.255 50 10 JKGE CC[C@H](CC(C)C)[C@@H](Br)c1c(C)cc(Br)c(OC)c1Br 2365189833 YXMGPMSPDPIBTL-BXUZGUMPSA-N 471.071 7.037 50 10 JKGE COC1(C(F)F)CC([C@@H](Br)c2ccc(Br)c(C)c2Br)C1 2368973393 VCBKFXQMFPYWDT-YEMQSEFVSA-N 476.981 6.016 50 10 JKGE N#C/C(=C/c1ccc(Cl)cc1Cl)S(=O)(=O)c1cc(Br)ccc1Br 33392656 VMRCDXKEZAGMOJ-XGICHPGQSA-N 496.007 5.857 50 10 JKGE ClCCc1nc2cc(Br)ccc2n1-c1cccc(I)c1 36910570 WGKINWCRRPHTRH-UHFFFAOYSA-N 461.528 5.174 50 10 JKGE C=CCOc1ccc(C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@H]3c2ccc(C(C)C)cc2)cc1 38649523 YQMKYQRYLNIOJI-MHZLTWQESA-N 466.537 5.812 50 10 JKGE Cc1ccc(NC(=O)/C(C#N)=C\c2cc(Br)ccc2OCc2ccccc2)c(C)c1 59201843 GBSJLBJTUQVAJH-BKUYFWCQSA-N 461.359 6.191 50 10 JKGE CCN1CCN(c2ccc(NC(=O)/C(C#N)=C\c3cc(C)n(-c4ccc(OC)cc4)c3C)c(C)c2)CC1 69178821 BEINUTTWRJLESM-PLRJNAJWSA-N 497.643 5.099 50 10 JKGE C[C@@H]1C[C@H](N(C(=O)NCCCl)c2ccccc2)c2ccccc2N1C(=O)c1ccc(Cl)cc1 72441405 MDKZETIEWYQUSI-KOSHJBKYSA-N 482.411 6.275 50 10 JKGE N#C/C(=C/c1ccc(-c2ccc(SC(F)F)cc2)s1)C(=O)Nc1cccc(C(F)(F)F)c1 84374345 NMFIQGLFZVQGTG-UVTDQMKNSA-N 480.483 7.294 50 10 JKGE COc1ccc(-c2nn(CCC#N)cc2/C=C(/C#N)C(=O)Nc2ccc(Oc3ccccc3)cc2)cc1 97990587 DCVMGIVEBKFURW-PYCFMQQDSA-N 489.535 5.810 50 10 JKGE COc1cc(Br)c([C@@H](Br)c2cc(Cl)cc(Cl)c2)cc1OC 109860410 UDIBWNKRBKNNBJ-HNNXBMFYSA-N 454.973 6.257 50 10 JKGE FC(F)(F)c1ccc(C[C@@H](Br)c2cccc(I)c2)cc1 110302683 KVWYNBXHRQQNCE-CQSZACIVSA-N 455.055 5.989 50 10 JKGE Clc1ccc([C@H](Br)c2csc3c(Br)cccc23)c(Cl)c1 126315278 VTSAGQLQYRVBEP-AWEZNQCLSA-N 451.010 7.455 50 10 JKGE CCOc1ccc(Br)cc1[C@H](Br)c1c(F)cccc1Br 161204220 NTYDCTYDEKLITR-HNNXBMFYSA-N 466.970 6.234 50 10 JKGE C[Si](C)(CC(c1ccccc1)c1ccccc1)O[Si](C)(C)CC(c1ccccc1)c1ccccc1 207455572 XWCWTBUSKMRLEI-UHFFFAOYSA-N 494.827 9.077 50 10 JKGE CCCCOC(=O)c1ccccc1NC(=O)/C(C#N)=C\Nc1ccc(Cl)cc1C(F)(F)F 217241041 MJYMGCIGQIRMAD-YPKPFQOOSA-N 465.859 5.774 50 10 JKGE COc1cc(C=NNC(=O)c2ccccc2OC)ccc1OC(=O)c1sc2ccccc2c1Cl 254488184 HOBYHCDYUYVQBF-UHFFFAOYSA-N 494.956 5.555 50 10 JKGE CC(=NNC(=O)c1cccc(S(=O)(=O)Nc2ccc(C)cc2C)c1)c1ccc2ccccc2c1O 263622576 SARUQLAFZYJYIU-UHFFFAOYSA-N 487.581 5.117 50 10 JKGE Fc1ccc(Cl)c([C@@H](Br)c2cc(I)cc3c2OCC3)c1 312629491 BVNKFHMZIHUGGX-CQSZACIVSA-N 467.503 5.503 50 10 JKGE Cc1ccc([C@@H]2CN(Cc3ccccc3)C[C@H]2CI)cc1Br 382720179 MVZVASCJSYSTCW-MSOLQXFVSA-N 470.192 5.408 50 10 JKGE BrCc1c(Br)cccc1N1CC[C@H]2CC[C@@H](C1)N2Cc1ccccc1 399828808 IEVJCZAERFCRST-MSOLQXFVSA-N 464.245 5.587 50 10 JKGE Clc1cc([C@H](Br)c2ccoc2Br)c(Cl)c(Cl)c1Cl 405038588 XWMXVMSRDWKTBB-SSDOTTSWSA-N 453.772 7.140 50 10 JKGE CC(C)(C)[Si](C)(C)OCCc1cccc([C@H]2COCCCN2CCO[Si](C)(C)C(C)(C)C)c1 616599451 KUNBPUOOLKMXSI-RUZDIDTESA-N 493.881 7.036 50 10 JKGE CC(C)(C)OC(=O)Nc1ccc([C@H]2CN(CCO[Si](C)(C)C(C)(C)C)c3ccccc3N2)cc1 616683353 GDYFANASEODWOQ-HSZRJFAPSA-N 483.729 7.029 50 10 JKGE Fc1ccc(Br)cc1COc1cc(Br)ccc1CBr 691442447 FVIJLEZCRUDZDM-UHFFFAOYSA-N 452.943 5.825 50 10 JKGE Fc1ccc([C@@H](Br)c2ccc(Br)c(Cl)c2)c(F)c1Br 691632963 CBFXBTXTVSWGDE-NSHDSACASA-N 475.352 6.628 50 10 JKGE COc1ccc(F)cc1[C@@H](Br)c1scc(Br)c1Br 705429543 XPGKWYDQBRTOSF-SNVBAGLBSA-N 458.972 5.905 50 10 JKGE Fc1cc(Br)c([C@@H](Br)Cc2ccccc2Br)c(F)c1F 709562045 ONILXXZLYGZVBV-VIFPVBQESA-N 472.924 6.308 50 10 JKGE C[C@@H](Cl)c1nc2cc(I)c(F)cc2n1C1CC(OCc2ccccc2)C1 716151047 AGOCVZCXDVPFBO-LRVUVFPRSA-N 484.740 6.000 50 10 JKGE FC(F)(F)c1cccc2c1nc(CCCl)n2CCCN(Cc1ccccc1)Cc1ccccc1 717230657 UVPFZJOUHBMFBD-UHFFFAOYSA-N 485.981 6.929 50 10 JKGE O=C([C@H](c1cccs1)N(C(=O)CCl)c1cccc(C(F)(F)F)c1)N1CC[C@@H]2CCCC[C@@H]2C1 725237163 ALJZRVAMJQOELB-JKSBSHDWSA-N 498.998 6.119 50 10 JKGE COc1cc(/C=C\C(=O)Oc2ccc([N+](=O)[O-])cc2)cc(Br)c1OCc1cccc(C)c1 1082441523 ONYLQSRBCMDOEG-WDZFZDKYSA-N 498.329 5.872 50 10 JKGE CCOc1cc(C=NNC(=O)c2cc(OC)cc(OC)c2)ccc1OCc1cccc2ccccc12 1084222460 CIJNWZLUDGAIPX-UHFFFAOYSA-N 484.552 5.599 50 10 JKGE O=C(Nc1ccccc1C(=O)NN=Cc1cccc(OCc2ccc(Cl)cc2)c1)c1cccs1 1084328453 VRIQLMSLGOFIMG-UHFFFAOYSA-N 489.984 5.997 50 10 JKGE CC(C)(C)OC(=O)N1C[C@@H](CI)[C@@H](c2ccc(OC(C)(C)C)cc2)C1 1614621514 GSXRGCCLWIKONL-NVXWUHKLSA-N 459.368 5.249 50 10 JKGE COc1ccc(-c2nn(Cc3cccc(Cl)c3)c3c2[C@@H](c2cccc(O)c2)C(C#N)=C(N)O3)cc1 1865681737 VIMRKPPJLZACOR-QHCPKHFHSA-N 484.943 5.184 50 10 JKGE COc1ccc(-c2nn(Cc3ccc(F)cc3)c3c2[C@@H](c2ccc(C)cc2)C(C#N)=C(N)O3)cc1 1865686040 QPILJVQIKPCLKP-DEOSSOPVSA-N 466.516 5.273 50 10 JKGE COc1ccc2ccccc2c1[C@H]1C(C#N)=C(N)Oc2c1c(C)nn2Cc1cc(C)ccc1C 1865687963 FDCIGNZJHNFZCV-SANMLTNESA-N 450.542 5.237 50 10 JKGE CCCc1nn(-c2cccc(Cl)c2)c2c1[C@@H](c1c(OC)ccc3ccccc13)C(C#N)=C(N)O2 1865688157 LKCPUPOLWYGEJU-XMMPIXPASA-N 470.960 5.858 50 10 JKGE CCCOc1ccc([C@@H]2C(C#N)=C(N)Oc3c2c(C(F)(F)F)nn3-c2ccccc2)cc1OCC 1865691133 KCYWEKFPVLRIFO-HXUWFJFHSA-N 484.478 5.297 50 10 JKGE CCOc1ccc([C@H]2C(C#N)=C(N)Oc3c2c(C)nn3-c2ccc(Cl)c(Cl)c2)cc1OC 1865696006 WGGGAHIMOUMBIU-NRFANRHFSA-N 471.344 5.113 50 10 JKGE CCCc1nn(CCC)c2c1[C@@H](c1cc(Br)c(OC(C)C)c(OC)c1)C(C#N)=C(N)O2 1865697744 ARKYEMGJJZOLFT-IBGZPJMESA-N 489.414 5.022 50 10 JKGE Cc1ccc(Cn2nc(C)c3c2OC(N)=C(C#N)[C@@H]3c2cccc(OCc3ccccc3)c2)cc1 1865711527 ASAYLSANURLRMK-MHZLTWQESA-N 462.553 5.345 50 10 JKGE COc1cccc([C@@H]2C(C#N)=C(N)Oc3c2c(-c2ccccc2)nn3Cc2c(F)cccc2Cl)c1 1865712022 NYHYUSBPHNKLHA-HSZRJFAPSA-N 486.934 5.618 50 10 JKGE CCOC(=O)c1c(NC(=O)/C(C#N)=C/c2ccc(Br)cc2)sc2c1CC[C@@H](C)C2 1866129306 MZPSCMVCKKFNFV-WDGDVPDHSA-N 473.392 5.358 50 10 JKGE COC(=O)c1c(NC(=O)/C(C#N)=C/c2cccc(Br)c2)sc(C)c1-c1ccc(C)cc1 1866131800 OHMYOYRWKRUJMW-WOJGMQOQSA-N 495.398 6.127 50 10 JKGE CCCc1nc(Nc2ccc(SC#N)cc2)cc(N2CCC(Cc3ccc([N+](=O)[O-])cc3)CC2)n1 1868389174 QQLMHAPYLFTKPF-UHFFFAOYSA-N 488.617 6.113 50 10 JKGE O=c1c(-c2ccc(Cl)c(Cl)c2)c(C2CC2)oc2cc(OCc3cccc(CCl)c3)ccc12 1871437370 ULGVBPIILZTODR-UHFFFAOYSA-N 485.794 7.962 50 10 JKGE CCc1cccc(C)c1N1C[C@H](/C(O)=C(\C#N)c2nc(-c3ccc(Cl)cc3Cl)cs2)CC1=O 1872744756 GYHUAGOJMDDBMV-PWEHGMCJSA-N 498.435 6.834 50 10 JKGE COc1ccc(CCN2C[C@@H](/C(O)=C(\C#N)c3nc(-c4ccc(C)cc4)cs3)CC2=O)cc1OC 1872749092 AVURCEPTCFQUQX-DFOVGDGWSA-N 489.597 5.020 50 10 JKGE CCCCCCCOc1ccc(-c2csc(/C(C#N)=C(\O)Cc3cccc4ccccc34)n2)cc1 1872753414 VWFRSSGKLXRXFK-OHYPFYFLSA-N 482.649 8.348 50 10 JKGE Cc1ccc(OC/C(O)=C(\C#N)c2nc(-c3ccc(Oc4ccccc4)cc3)cs2)c(C)c1 1872754037 ZLNRDVXYKCDAEY-BZZOAKBMSA-N 454.551 7.091 50 10 JKGE N#C/C(=C\c1ccc(OCc2ccc(Cl)cc2)cc1)c1nc(-c2cccc([N+](=O)[O-])c2)cs1 1872782920 WXKSCPAGADATDL-UDWIEESQSA-N 473.941 7.015 50 10 JKGE Cc1ccc(-c2csc(/C(C#N)=C/c3cc(Br)cc(Br)c3O)n2)c(C)c1 1872790624 URRUCCAZTSONKZ-MKMNVTDBSA-N 490.220 6.722 50 10 JKGE COc1cc(/C=C(\C#N)c2nc(-c3cc(Cl)cc(Cl)c3OC)cs2)cc(Cl)c1O 1872792767 QALOAVAJPSHSRC-QDEBKDIKSA-N 467.761 6.557 50 10 JKGE CCc1cccc(C)c1N1C[C@H](/C(O)=C(\C#N)c2nc(-c3cccc([N+](=O)[O-])c3)cs2)CC1=O 1873940770 GRFGTLFAVJLCBT-FCZGTTMTSA-N 474.542 5.435 50 10 JKGE CC(C)(C)OC(=O)Nc1ccc2c(c1)CC[C@H]2[C@@H](CBr)NC(=O)OC(C)(C)C 1885097028 NNCKHYJOBFCZMP-IAGOWNOFSA-N 455.393 5.352 50 10 JKGE Clc1ccc(I)cc1COCCCCCI 1904949194 AKLXLHPKTKTIBK-UHFFFAOYSA-N 464.512 5.067 50 10 JKGE Cc1c(Br)sc([C@@H](Br)c2ccc(F)c(F)c2F)c1Br 1922880080 BGWVZAZARKOEFC-QMMMGPOBSA-N 478.953 6.483 50 10 JKGE Fc1ccc([C@@H](Br)c2sc(Br)cc2Br)c(F)c1F 1922946550 SICYMRNWFSTVNP-MRVPVSSYSA-N 464.926 6.175 50 10 JKGE Brc1cccnc1C[C@@H](Br)c1sccc1I 1924900913 OVEWBYWRVWHPQH-MRVPVSSYSA-N 472.971 5.189 50 10 JKGE Clc1ccc(I)c([C@@H](Cl)c2c(Cl)sc(Cl)c2Cl)c1 1925587929 MUCRVVWNFVBQCM-MRVPVSSYSA-N 472.389 7.295 50 10 JKGE CCn1ncc(Br)c1[C@H](Br)c1cc(Br)c(Cl)s1 1945453936 HKDKIHBDLKTBTR-MRVPVSSYSA-N 463.420 5.627 50 10 JKGE Clc1cc(Br)c([C@H](Br)c2cc(Br)ccc2Cl)s1 1948823840 RRIRPYHDUQNAEQ-SNVBAGLBSA-N 479.846 7.064 50 10 JKGE CC1([C@@H](Cl)c2c(Br)c(Br)cc(Br)c2Br)CC1 1995046878 BIDQBWGHGINURT-JTQLQIEISA-N 496.262 6.817 50 10 JKGE C[C@@H]1CN(Cc2ccccc2)CCN1c1cc(Br)cc(F)c1CBr 2004045882 PPBSBOQAYQHKJM-CQSZACIVSA-N 456.197 5.194 50 10 JKGE Cc1cc(Br)c(F)c([C@H](Br)c2cc(Cl)c(Br)s2)c1 2028924576 ROHPCIFCFOOPBI-JTQLQIEISA-N 477.418 6.858 50 10 JKGE C[C@@]1(CI)CC[C@@]2(CN(Cc3ccccc3)C3(CCCCCC3)C2)O1 2038914470 SVYOFVICBOLVPF-RBBKRZOGSA-N 453.408 5.728 50 10 JKGE Fc1cc(Br)cc(N2C[C@@H]3CN(Cc4ccccc4)C[C@@H]3C2)c1CBr 2051133063 KZILPRVHUOOGJK-IYBDPMFKSA-N 468.208 5.051 50 10 JKGE Clc1ccc(C[C@H](Cl)c2ccc(Br)cc2I)cc1 2086144519 ATNGGGQQEWURKI-ZDUSSCGKSA-N 455.948 6.230 50 10 JKGE ClC[C@@H](Cc1ccc(Br)cc1Br)c1ccc(Br)cc1 2092260107 DJNMGWHCTQMMQA-GFCCVEGCSA-N 467.426 6.539 50 10 JKGE BrC[C@]1(Cc2cccc(Br)c2Br)CCO[C@@H]1C1CC1 2092335759 QGRYUTQLQFGUPE-HUUCEWRRSA-N 453.012 5.334 50 10 JKGE CC(C)(C)N(CCCBr)C(=O)c1cccc(Br)c1Br 2092336571 ZEPFKMMXSHXXAA-UHFFFAOYSA-N 456.016 5.237 50 10 JKGE CC(C)(CBr)[C@@H]1CCCN1Cc1c(Br)cccc1Br 2099643590 SSRVXROPCBLVHC-AWEZNQCLSA-N 454.044 5.597 50 10 JKGE BrCc1ccc(N2CCC[C@@]3(CCN(Cc4ccccc4)C3)C2)c(Br)c1 2107014583 IFEGUUXFMBUSPS-QFIPXVFZSA-N 478.272 5.837 50 10 JKGE Fc1ccc([C@@H](Br)c2c(Cl)cccc2Br)c(F)c1Br 2113162068 CPIAVPMRBPAPLS-LLVKDONJSA-N 475.352 6.628 50 10 JKGE C[C@H](Br)C[C@@H]1CCCCN1Cc1cc(Br)ccc1Br 2118535544 VNGQXYVYKKZCDC-FZMZJTMJSA-N 454.044 5.740 50 10 JKGE C[C@H]1Cc2cc(Br)cc([C@@H](Br)c3cc(Br)sn3)c2O1 2120034825 ZWVBOBWXMMNDFY-PWCHPLFNSA-N 468.008 5.476 50 10 JKGE O=C(NCC[C@@H]1CCCC[C@@H]1Br)c1scc(Br)c1Br 2123028602 PWSJYWQZJVJKHO-IUCAKERBSA-N 474.056 5.347 50 10 JKGE Cc1cc(Br)c(C)c([C@H](Cl)c2ccc(Br)cc2)c1Br 2136369586 DXAWEMGHXPSRHJ-OAHLLOKOSA-N 467.426 6.919 50 10 JKGE Cc1cc(Br)c(C)c([C@H](Br)[C@H]2CCC(C)(C)C2)c1Br 2136374023 IEZLGRIZEXTUCV-XHDPSFHLSA-N 453.056 7.091 50 10 JKGE Cc1cc(Br)c(C)c([C@@H](Br)[C@]2(C)COCCO2)c1Br 2136382097 OILVFYBPHAKXTK-KGLIPLIRSA-N 457.000 5.070 50 10 JKGE Clc1cccc(C(CBr)(CBr)Cc2csc(Br)c2)c1 2139778384 AXAADHIHKXSAPH-UHFFFAOYSA-N 487.482 6.434 50 10 JKGE Clc1cc(CN2CC3(CC[C@H]2CBr)CC3)ccc1I 2142948598 BYIJJAIBYHTJJT-LBPRGKRZSA-N 454.577 5.084 50 10 JKGE Cl[C@@H](c1cc2c(cc1Br)OCC2)c1c(Br)cccc1Br 2150493635 CMSUVMQWCPWPEE-HNNXBMFYSA-N 481.409 6.237 50 10 JKGE Brc1cccc(Br)c1[C@@H](Br)c1ccc2c(c1)CCCC2 2150494692 SGMNTPMYTAEPMR-KRWDZBQOSA-N 459.019 6.575 50 10 JKGE C[C@@H](c1cnn(Cc2ccccc2)c1)n1c(CCl)nc2cc(Cl)c(Br)cc21 2168999793 XUAMJMVDXVXPMP-ZDUSSCGKSA-N 464.194 6.045 50 10 JKGE C[C@@H]1CN(Cc2ccccc2)CC[C@@H]1n1c(CCl)nc2cc(Cl)c(Br)cc21 2169008607 GCNFWKOMBOMIHY-KUHUBIRLSA-N 467.238 6.274 50 10 JKGE C[C@H](Cl)c1nc2cc(Cl)c(Br)cc2n1C1[C@@H]2CN(Cc3ccccc3)C[C@@H]12 2169010513 WDPPHQLOYUQDQI-NWANDNLSSA-N 465.222 6.055 50 10 JKGE Cc1ccc(CBr)cc1S(=O)(=O)N(Cc1ccccc1)[C@@H](C)c1cccs1 2179791779 WJBLVYWCSKIOJH-KRWDZBQOSA-N 464.450 5.904 50 10 JKGE O=S(=O)(c1cc(Cl)cc(CBr)c1Cl)N1CC[C@H](COCc2ccccc2)C1 2179861824 NAZNRQXDYOEWSK-HNNXBMFYSA-N 493.250 5.116 50 10 JKGE CCCC(CBr)(CCC)CN=[S@]1(=O)CCN(C(=O)OC(C)(C)C)CC1(C)C 2189324909 KJCGBIHZYULJCB-MHZLTWQESA-N 467.514 5.465 50 10 JKGE FCCOc1ccc([C@@H](Cl)c2c(Br)sc(Br)c2Cl)cc1 2189495273 OUEDXIGFJXYIPY-SNVBAGLBSA-N 462.993 6.603 50 10 JKGE Cc1cc(Cl)cc([C@H](Br)c2c(C)c(Br)cc(C)c2Br)c1 2201068683 HNRDFABNPRULMO-INIZCTEOSA-N 481.453 7.275 50 10 JKGE CCCOc1cccc([C@@H](Br)c2ccc(Br)cc2Br)c1 2203684721 HSMSNRGVUARZID-MRXNPFEDSA-N 463.007 6.485 50 10 JKGE COc1ccc(C(C)C)cc1[C@H](Br)c1scc(Br)c1Br 2203877203 WREGZSKQWNYMJP-ZDUSSCGKSA-N 483.063 6.889 50 10 JKGE Cc1sc(C(=O)N(Cc2ccccc2)C2(CBr)CCC2)cc1Br 2210614523 QUPXKJYXXQQNBC-UHFFFAOYSA-N 457.231 5.779 50 10 JKGE Fc1cc(Br)c(Br)cc1[C@@H](Cl)c1c(F)cccc1Br 2225632206 AIDOIGWWQOFHLH-CYBMUJFWSA-N 475.352 6.581 50 10 JKGE O=S1(=O)C[C@@H]2[C@H]([C@H](Br)c3c(Br)cc(Cl)c(Cl)c3Cl)[C@@H]2C1 2232508763 AUXVOCLTYVIDAQ-DDAZSXFFSA-N 483.436 5.136 50 10 JKGE COc1ccc([C@H](Br)c2cc(Cl)sc2Cl)cc1I 2257368139 GDDNNAUORZSEIO-NSHDSACASA-N 477.976 6.152 50 10 JKGE Fc1cc(Br)c(F)c(Br)c1[C@H](Cl)c1ccsc1Br 2259994640 JZDXANFSGSHLKD-SECBINFHSA-N 481.381 6.642 50 10 JKGE Cc1cc(Br)c(C)c([C@@H](Br)C23COCC(C2)C3)c1Br 2273069109 FJZOZHDMGATANZ-CIQACWJJSA-N 453.012 5.691 50 10 JKGE Fc1cc(Br)c(F)c(Br)c1[C@@H](Br)[C@@H]1CCC(F)(F)C1 2277733316 DDARHYYPWOLMAF-ANLVUFKYSA-N 468.908 6.361 50 10 JKGE Brc1cc(Br)cc(C[C@@H](Br)C[C@H]2CCCC23CC3)c1 2277955648 KLQAJOVLHHBSQI-CHWSQXEVSA-N 451.040 6.488 50 10 JKGE C[C@@]1([C@H](Br)Cc2cc(Br)cc(Br)c2)CCCC1(F)F 2277964179 CUDMOVGVSACHIO-OLZOCXBDSA-N 460.982 6.343 50 10 JKGE COc1cc(OC)c([C@H](Br)c2occc2Br)cc1Br 2278033976 MAOFTBMMFVJZMN-LBPRGKRZSA-N 454.940 5.306 50 10 JKGE COc1ccc([C@@H](Br)c2nn(C)c(Br)c2C)c(Br)c1Cl 2283569381 YYKRETBEFSMMPQ-SNVBAGLBSA-N 487.417 5.400 50 10 JKGE C=CC[C@@]1(CBr)CCN(C(=O)c2ccc(Br)cc2Br)C1 2287781465 FYNQKRKBIDJMSX-HNNXBMFYSA-N 466.011 5.015 50 10 JKGE CC(F)(F)C1([C@@H](Br)c2c(F)cc(Br)c(F)c2Br)CCC1 2288372671 ANUCELXBHSKMPN-NSHDSACASA-N 482.935 6.751 50 10 JKGE Fc1cccc(F)c1[C@@H](Br)c1c(F)cc(Br)c(F)c1Br 2288372960 DBZDIBXIIFSRRO-LLVKDONJSA-N 476.887 6.252 50 10 JKGE C[C@@H](C[C@@H](Br)c1c(F)cc(Br)c(F)c1Br)CC(C)(C)C 2288493716 WHIQGKOVAQATMF-DTWKUNHWSA-N 477.025 7.388 50 10 JKGE CC1(C)CCC(C)(C)[C@@H](Cc2cc(Br)ccc2Br)[C@H]1Br 2290312009 VAEHMYKCBWJKSO-DZGCQCFKSA-N 467.083 6.980 50 10 JKGE CC(C)(C)OC(=O)NCC[S@@](=O)(=NCCCCCCCBr)c1ccccc1 2294701840 XPKYMJUDBZDOBX-MHZLTWQESA-N 461.466 5.384 50 10 JKGE C[C@]1([C@H](Br)Cc2cc(Br)cc(Br)c2)CCCCC1(F)F 2295332629 ZGNJIRPIPZIORF-ZIAGYGMSSA-N 475.009 6.733 50 10 JKGE COc1c(C)cc(C)cc1[C@@H](Cl)c1ccc(I)c(Br)c1 2295368466 VTWDWXOKSIGUCH-HNNXBMFYSA-N 465.556 6.007 50 10 JKGE Cc1cc(Br)c([C@H](Cl)c2cc3sc(Br)cc3s2)cc1Cl 2295406823 PYWPYKIXKQJOHJ-AWEZNQCLSA-N 471.066 7.778 50 10 JKGE Cc1cc(Oc2nc3ccccn3c(=O)c2C=C(C#N)c2nc3ccccc3s2)ccc1Cl 2296543605 PYPNNLRPHOOETD-UHFFFAOYSA-N 470.941 6.123 50 10 JKGE N#CC(=Cc1cc(Br)ccc1OCc1ccc(Cl)cc1Cl)c1nc2ccccc2[nH]1 2296737761 LIPWIKXDRPIHKL-UHFFFAOYSA-N 499.195 7.275 50 10 JKGE N#CC(=Cc1ccc(OCc2c(Cl)cccc2Cl)cc1)C(=O)Nc1nc2ccccc2s1 2297500353 JPMDUCLEITUYRO-UHFFFAOYSA-N 480.376 6.728 50 10 JKGE Brc1ccc(OCc2ccccc2)c([C@H](Br)[C@@H]2[C@H]3CCCC[C@H]32)c1 2299510443 RATHXYRKGINITF-NLEAXPPASA-N 450.214 6.900 50 10 JKGE FC1(F)C[C@H](Cc2ccc(I)c(Br)c2)[C@H](Br)C1 2306217965 VQEQIMCSUNAGCQ-WCBMZHEXSA-N 479.928 5.405 50 10 JKGE Fc1cc(OC[C@@H]2CC2(Br)Br)cc(Cl)c1CBr 2306833535 UNLIZQWJHWUSQQ-LURJTMIESA-N 451.355 5.259 50 10 JKGE COc1ccc(C=C(C#N)C(=O)Nc2ccc(C)cc2)cc1OCc1c(Cl)cccc1Cl 2313630692 DWJDTMRSOUWBED-UHFFFAOYSA-N 467.352 6.435 50 10 JKGE Cc1cc(-c2nn(-c3ccccc3)cc2C=C(C#N)c2nc(O)c3ccccc3n2)ccc1OC(C)C 2314432518 AVANUUDMLFDCND-UHFFFAOYSA-N 487.563 6.348 50 10 JKGE Cc1ccc(C(=O)Nc2sc(C(C#N)=CC3=Cc4ccccc4O[C@@H]3C)nc2-c2cccs2)cc1 2314433458 NGJPDQLXQLFXLD-GOSISDBHSA-N 495.629 7.204 50 10 JKGE COc1ccc(N2C(=O)[C@@H](Cc3ccccc3)SC2=C(C#N)C(=O)Nc2ccccc2C)cc1 2314591888 GWBPMEQOUWKLSQ-XMMPIXPASA-N 469.566 5.069 50 10 JKGE CCOC(=O)C(C#N)=Cc1ccc(OC(=O)c2c(Cl)ccc(Cl)c2Cl)c(OC)c1 2314728680 JWICITWSABKIJL-UHFFFAOYSA-N 454.693 5.345 50 10 JKGE CCCCCCOc1ccc(C=C(C#N)C(=O)Nc2ccc(C(=O)OC(C)C)cc2)cc1OC 2314728886 PLTUSJSVMJEBTG-UHFFFAOYSA-N 464.562 5.765 50 10 JKGE COc1cccc([C@H](Br)c2sc(Cl)cc2I)c1Cl 2316600750 KCLBYRBLDQNQCH-JTQLQIEISA-N 477.976 6.152 50 10 JKGE COc1ccc(C(C#N)=Cc2cccc(OC(=O)c3ccc(Br)o3)c2)cc1OC 2318356374 YLLJFECDZHVRIG-UHFFFAOYSA-N 454.276 5.343 50 10 JKGE N#CC(=Cc1ccc(OC(=O)c2cc(C(F)(F)F)cc(C(F)(F)F)c2)cc1)c1ccc(Cl)cc1 2320507151 ZTJMNHTWJIYOBS-UHFFFAOYSA-N 495.806 7.661 50 10 JKGE CC(C)(C)OC(=O)NC[C@@](C)(CI)OCc1cccc(C2CCC2)c1 2320673047 UALRCHAXKTZTHE-HXUWFJFHSA-N 459.368 5.189 50 10 JKGE Clc1cc(Br)c(CC(CBr)(CBr)C2CCCC2)s1 2322464501 HFUQNQPCLJJAAS-UHFFFAOYSA-N 479.503 6.673 50 10 JKGE Brc1cc(CC[C@H](Br)CC2CCCC2)ccc1I 2325208187 FYDBKKMTIBZTLS-ZDUSSCGKSA-N 486.029 6.330 50 10 JKGE O=C1C(=Cc2cc(Cl)cc3c2OCOC3)Oc2cc(OCc3cccc(CCl)c3)ccc21 2325358361 HZJZMTZNIARPDH-UHFFFAOYSA-N 469.320 6.141 50 10 JKGE COc1cc(C=C(C#N)n2cnc3ccccc32)ccc1OC(=O)c1ccc(Cl)cc1Cl 2331032783 FNUUDACOWNZWOQ-UHFFFAOYSA-N 464.308 6.093 50 10 JKGE CCCCc1ccc(N2C[C@@H](C(O)=C(C#N)c3nc(-c4ccc(F)c(C)c4)cs3)CC2=O)cc1 2331320637 NRBABCCXGSZJJY-FQEVSTJZSA-N 475.589 6.446 50 10 JKGE CCCCc1ccc(N2C[C@H](C(O)=C(C#N)c3nc(-c4c[nH]c5ccccc45)cs3)CC2=O)cc1 2331346840 JXFHZMIMYOFVRD-LJQANCHMSA-N 482.609 6.480 50 10 JKGE COc1ccc(OC)c(CC(O)=C(C#N)c2nc(-c3cc(C(C)C)c(OC)cc3C)cs2)c1 2331352270 ZKVGFXOPIHSVEZ-UHFFFAOYSA-N 464.587 6.303 50 10 JKGE CCCOc1c(Br)cc(C=C(C#N)c2nc(-c3ccc(C)cc3)cs2)cc1OC 2331444195 WXXOZJSTGYMLMM-UHFFFAOYSA-N 469.404 6.743 50 10 JKGE Clc1ccc(CNC2(CCBr)CCCCC2)c(I)c1 2341045824 VBVSXBDBCGIOSU-UHFFFAOYSA-N 456.593 5.522 50 10 JKGE Fc1cc(Cl)c(Br)c(Cl)c1[C@@H](Br)[C@@H]1CC[C@@H]2[C@H]1C2(F)F 2360485084 YHUYEBGYOMGRDY-LBAYDFSESA-N 452.923 6.622 50 10 JKGE Cc1cc(I)c(OCCCCCCCCCBr)cc1Cl 2361591439 UJVPZIMORNKULW-UHFFFAOYSA-N 473.620 6.757 50 10 JKGE CCCCO[C@@H]1[C@@H](Br)C[C@H]1Oc1cc(Cl)c(C)cc1I 2361703694 OGBICQCQHJITMZ-COLVAYQJSA-N 473.576 5.353 50 10 JKGE C[C@@H](Br)C[C@H]1CCCCN1C(=O)c1ccc(Cl)cc1I 2365588788 NUSSUIIJIXDQFB-ZYHUDNBSSA-N 470.576 5.113 50 10 JKGE CC1(C)CC(CBr)(CN2CC[C@@H](NC(=O)OC(C)(C)C)C[C@H]2C(F)(F)F)C1 2371131727 RAKOAKREKKTRET-KGLIPLIRSA-N 457.375 5.108 50 10 JKGE COc1cccc([C@H](Br)CCc2cc(I)ccc2Cl)c1 2380531134 LHKYNUBFPOHLHH-OAHLLOKOSA-N 465.556 6.022 50 10 JKGE CC1(C)CCC(C)(C)[C@@H](Cc2cc(I)ccc2Cl)[C@@H]1Br 2380541671 JOZXSDYHSSVMLN-ZFWWWQNUSA-N 469.632 6.713 50 10 JKGE CC(C)(C)Oc1ccc([C@H](Br)c2cscc2Br)cc1Br 2381300324 WFCURGPTPSZKNO-AWEZNQCLSA-N 483.063 6.935 50 10 JKGE CC[C@@H](Oc1ccc2ccccc2c1Br)C(=O)N/N=C/c1ccc(Cl)c([N+](=O)[O-])c1 20572879 LDJZYBYUFBEDLL-SZMVHAFZSA-N 490.741 5.472 50 10 JKGE O=C(N/N=C/c1cccc(Oc2ccccc2)c1)c1cc(-c2ccc3c4c(cccc24)CC3)n[nH]1 27520597 PFUVUUHJOQQHHW-UXHLAJHPSA-N 458.521 5.885 50 10 JKGE Cc1ccc(NC(=O)/C(C#N)=C2/S[C@H](Cc3ccccc3C)C(=O)N2c2ccc(F)cc2)cc1 33579302 KNJXXSVEJYVPOG-GUNDDFSMSA-N 471.557 5.508 50 10 JKGE Cc1cc(/C=C(/C#N)C(=O)Nc2ccc([N+](=O)[O-])cc2O)c(C)n1-c1ccc(Cl)c(Cl)c1 33684844 FONXNXUOJFVLEY-NVNXTCNLSA-N 471.300 5.560 50 10 JKGE CCOc1cc(/C=C(/C#N)C(=O)Nc2ccccc2[N+](=O)[O-])ccc1OCc1ccc(C)cc1 33760640 NLHRPGHGGWEFOO-STZFKDTASA-N 457.486 5.427 50 10 JKGE C=CCOc1ccc(C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@@H]3c2ccc(C(C)(C)C)cc2)cc1 38649791 CDORBAKFXMWTNG-HHHXNRCGSA-N 480.564 5.986 50 10 JKGE CCCCOc1ccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4ccccc4OCC)ccc32)cc1 38650874 ZVPPAMTWKDUFTB-MHZLTWQESA-N 484.552 5.702 50 10 JKGE N#CC1=C(N)Oc2cc(OC(=O)c3ccc(Cl)cc3)ccc2[C@H]1c1ccc(Cl)cc1Cl 38655168 VREWJKYHSCAGEJ-OAQYLSRUSA-N 471.727 6.084 50 10 JKGE CCCCOc1ccccc1[C@@H]1C(C#N)=C(N)Oc2cc(OC(=O)c3ccc(C(C)(C)C)cc3)ccc21 38682652 CXPIDPLVQCZJFO-NDEPHWFRSA-N 496.607 6.600 50 10 JKGE COc1ccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4oc5cc(C)ccc5c4C)ccc32)c(OC)c1 38688451 ZTMAVJVBISBCIZ-AREMUKBSSA-N 496.519 5.504 50 10 JKGE Cc1cc(C)cc(NC(=O)c2oc3c(c2C)/C(=N/NC(=O)c2cncc(Br)c2)CCC3)c1 40822944 SUVQCWVAXOBZJX-TURZUDJPSA-N 495.377 5.085 50 10 JKGE COc1cc(/C=N/NC(=O)[C@H](C)Oc2ccc(C(C)(C)C)cc2)ccc1OCc1ccccc1C 40961536 AOELFOPJVGRTMJ-SHEHFHRDSA-N 474.601 5.798 50 10 JKGE CCCCc1ccc(N(C(=O)/C(C#N)=C/c2ccccc2OC)S(=O)(=O)c2ccccc2)cc1 40977768 MQSYSGZUPJRXAK-FCDQGJHFSA-N 474.582 5.367 50 10 JKGE CCOc1ccc([C@@H](O)CCC(=O)N/N=C\c2cc(C)n(-c3ccc(C(C)(C)C)cc3)c2C)cc1 58893368 CPORNIBOZGZLOS-SIBAOGJBSA-N 475.633 5.754 50 10 JKGE Cc1ccccc1NC(=O)/C(C#N)=C\c1cc(Br)ccc1OCc1ccc(Cl)cc1 59201523 CUNNSEQNEHUJET-UNOMPAQXSA-N 481.777 6.536 50 10 JKGE CC1=C(C#N)C(=O)N(C(C)C)C(=O)/C1=C/c1cn(-c2ccccc2)nc1C12CC3CC(CC(C3)C1)C2 101333833 RTSQERBBSYTBNI-BRJLIKDPSA-N 480.612 5.341 50 10 JKGE CCCCCCCCOc1ccc(/C=C2/C(=O)N(CCCOC(C)C)C(=O)C(C#N)=C2C)cc1OC 101336331 DWYGHDNYKABXLB-HKOYGPOVSA-N 496.648 5.842 50 10 JKGE CCCCCCCOc1ccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4cccs4)ccc32)cc1 101377817 GNNFEXUYTDOTDK-SANMLTNESA-N 488.609 6.535 50 10 JKGE Cl[C@H](Cc1cccc(Br)c1)c1cc(Br)sc1Br 109825210 KZRWTKKLKIPNCG-SNVBAGLBSA-N 459.428 6.558 50 10 JKGE COc1cc(C)c(Br)cc1[C@H](Br)Cc1ccc(Cl)c(Cl)c1 115866902 IRRKHVWINNUNQO-CYBMUJFWSA-N 453.001 6.752 50 10 JKGE CCC1(CC)[C@H](Br)C[C@H]1Oc1cc(Br)c(OC)cc1Br 118819514 QDJZMPPEPOKNTD-ZIAGYGMSSA-N 471.027 5.941 50 10 JKGE COc1cc(OC)c([C@@H](Br)c2cc(Cl)c(Br)s2)cc1OC 128149899 KEOBYUXBLSIKRG-CYBMUJFWSA-N 456.583 5.674 50 10 JKGE Brc1ccc([C@@H](Br)c2cc(Br)c(Br)s2)o1 128283263 GMBFFWGGUUTJMT-MRVPVSSYSA-N 479.813 6.113 50 10 JKGE Cc1cc(Br)c([C@@H](Cl)Cc2cccc(Br)c2)cc1Br 128622484 DPSATPYAHUAKAV-HNNXBMFYSA-N 467.426 6.805 50 10 JKGE Clc1cc([C@@H](Br)c2cc3c(cc2Cl)OCCO3)ccc1Br 129173443 LRZQJFBYLPKXCE-OAHLLOKOSA-N 452.957 6.011 50 10 JKGE Brc1cccc(C[C@H](Br)c2csc3c(Br)cccc23)c1 163514643 SDLOWROUPWNPJZ-HNNXBMFYSA-N 475.043 7.105 50 10 JKGE Cc1ccc2nc(-c3ccc(N/C=C(/C#N)C(=O)Nc4ccccc4[N+](=O)[O-])cc3)sc2c1 216836143 GUOKNYCNZZDOAA-VKAVYKQESA-N 455.499 5.638 50 10 JKGE COc1ccc([C@H](Br)c2ccc(F)cc2Br)c(OC)c1Br 224853517 XOZPJALKAIRSPX-CYBMUJFWSA-N 482.969 5.852 50 10 JKGE Cc1cc(Cl)c([C@H](Br)c2ccc(I)c(Cl)c2)cc1C 232345039 ZOTADYQIKRKBCB-OAHLLOKOSA-N 469.975 6.699 50 10 JKGE COc1cc(F)c(Br)cc1[C@@H](Br)c1ccc(Cl)cc1Br 234865432 CVWUATJGQBFEJO-AWEZNQCLSA-N 487.388 6.497 50 10 JKGE Fc1cccc(COc2c(Br)cc(CCl)cc2Br)c1Br 236197949 VLQVYCXACMAOIX-UHFFFAOYSA-N 487.388 6.431 50 10 JKGE CCCOc1ccc(C(=O)NN=Cc2cn(-c3ccccc3)nc2-c2ccc(OCCC)cc2)cc1 254794547 DAZCWEYAPNIFHJ-UHFFFAOYSA-N 482.584 5.881 50 10 JKGE Cl[C@H](c1cc(Br)ccc1Br)c1sccc1I 309282333 UNHLMDGAVVOPLO-SNVBAGLBSA-N 492.401 6.206 50 10 JKGE Fc1ccc([C@H](Br)c2cc(I)cc3c2OCC3)c(Cl)c1 312377416 QPPQZTCIMFTETR-AWEZNQCLSA-N 467.503 5.503 50 10 JKGE C[C@@H](COc1c(Br)cc(CBr)cc1Br)C1CCCCC1 380639861 MOEBJRDDZVRTHE-NSHDSACASA-N 469.055 6.702 50 10 JKGE C[C@H]1Cc2cc(Br)cc([C@@H](Cl)c3sccc3I)c2O1 720133419 RYQYSTCTLOMQMX-JVXZTZIISA-N 469.569 5.767 50 10 JKGE Clc1cc([C@H](Cl)c2ccc(I)c(Br)c2)c(Cl)s1 721584273 CJDWDSQEBVHEJR-SNVBAGLBSA-N 482.395 6.750 50 10 JKGE CCCCCCOc1ccc([C@H]2CN(C(=O)OC(C)(C)C)C[C@@H]2CI)cc1 725431388 VWVAWKLPFLTZFS-AZUAARDMSA-N 487.422 6.031 50 10 JKGE COc1cccc(C=NNC(=O)c2ccc(Cl)c(Cl)c2)c1OCc1ccc(Cl)cc1Cl 1083965810 KPWAGPXKYJIJSR-UHFFFAOYSA-N 498.193 6.652 50 10 JKGE Cc1cccc(C)c1-n1c(C)c(Br)c(C=NNC(=O)CSCc2ccccc2)c1C 1084538470 SIYMUPUODDXVGT-UHFFFAOYSA-N 484.463 5.857 50 10 JKGE Cc1ccc(C[C@@H]2S/C(=C(\C#N)C(=O)N[C@H](C)c3ccccc3)N(c3ccc(C)c(C)c3)C2=O)cc1 1614653276 KUGRWEINLJQQNO-LKHIEZPYSA-N 495.648 5.916 50 10 JKGE COc1ccc(Cl)cc1NC(=O)c1oc2c(c1C)C(=NNC(=O)c1ccccc1F)CCC2 1772743990 NUIFPMMJKHWTHJ-UHFFFAOYSA-N 469.900 5.112 50 10 JKGE COc1cc(C=NNC(=O)COc2ccc(C(C)C)cc2)ccc1OCc1ccccc1Cl 1772752905 WSGFTDPFMIPPOM-UHFFFAOYSA-N 466.965 5.580 50 10 JKGE N#CC1=C(N)Oc2c(c(C(F)(F)F)nn2Cc2ccccc2)[C@H]1c1ccc(Cl)c(Cl)c1 1865686668 YYXIRKIVMBFOHA-INIZCTEOSA-N 465.262 5.475 50 10 JKGE CCOc1cccc([C@H]2C(C#N)=C(N)Oc3c2c(C(F)(F)F)nn3-c2ccc(Cl)c(Cl)c2)c1 1865690470 SDKPKOPVDJQGLO-KRWDZBQOSA-N 495.288 5.815 50 10 JKGE CCCOc1c(OC)cccc1[C@H]1C(C#N)=C(N)Oc2c1c(CCC)nn2Cc1ccccc1Cl 1865693358 NJMPZYJASXUNQD-QHCPKHFHSA-N 493.007 5.553 50 10 JKGE Cc1nn(-c2ccccc2)c2c1[C@@H](c1ccc(OCc3ccc(Cl)cc3)cc1)C(C#N)=C(N)O2 1865695031 IBDCUJBVSDJONL-VWLOTQADSA-N 468.944 5.631 50 10 JKGE CCN(CC)c1ccc([C@H]2C(C#N)=C(N)Oc3c2c(C(F)(F)F)nn3-c2cccc(Cl)c2)cc1 1865701896 HNMSCTFQJXUNMA-IBGZPJMESA-N 487.913 5.609 50 10 JKGE Cc1nn(Cc2cccc(Cl)c2)c2c1[C@@H](c1ccc(OC(=O)c3ccccc3)cc1)C(C#N)=C(N)O2 1865704929 IJULAGVWAGGUCK-VWLOTQADSA-N 496.954 5.331 50 10 JKGE CCc1nn(-c2cccc3ccccc23)c2c1[C@H](c1ccc(C(F)(F)F)cc1)C(C#N)=C(N)O2 1865710600 CJBAHXQOAYLCDW-JOCHJYFZSA-N 460.459 5.825 50 10 JKGE CCCc1nn(Cc2ccc(C)cc2)c2c1[C@H](c1ccc(C(F)(F)F)cc1)C(C#N)=C(N)O2 1865710605 CLVZYIDDNSLITJ-OAQYLSRUSA-N 452.480 5.429 50 10 JKGE COc1ccc(-c2csc(/C(C#N)=C(\O)CCCOc3ccc4ccccc4c3)n2)c(C)c1C 1872753520 AWXZZYHNNLFGGL-LCUIJRPUSA-N 470.594 7.241 50 10 JKGE COc1cc(Cl)c(C)cc1-c1csc(/C(C#N)=C(\O)CNC(=O)c2ccc(Cl)cc2)n1 1872755464 OVHMVMDLHVTTDH-MNDPQUGUSA-N 474.369 5.657 50 10 JKGE COc1cc(C)c(-c2csc(/C(C#N)=C(\O)c3ccccc3C(=O)c3ccccc3)n2)cc1C 1872758011 HHBBLHHIUKCOKC-VYIQYICTSA-N 466.562 6.616 50 10 JKGE COc1ccc(-c2csc(/C(C#N)=C/c3ccc(OCc4ccccc4C)cc3)n2)cc1C 1872780905 PGUBJKCZMCXVCB-BUVRLJJBSA-N 452.579 7.079 50 10 JKGE CCCCCOc1ccc(/C=C(\C#N)c2nc(-c3ccc(OC)c(OC)c3)cs2)cc1OC 1872781322 ADYLDXXPTJBNTR-DEDYPNTBSA-N 464.587 6.469 50 10 JKGE CCCCCCOc1ccc(/C=C(\C#N)c2nc(-c3ccc(-c4ccccc4)cc3)cs2)cc1OC 1872782879 VGWQGBMPFRVIGG-ZXVVBBHZSA-N 494.660 8.509 50 10 JKGE CCCOc1ccc(-c2csc(/C(C#N)=C(\O)c3ccc(OC(C)=O)cc3)n2)cc1OCCC 1872818380 ZIIUBLJVZBEXBD-DAFNUICNSA-N 478.570 6.263 50 10 JKGE CCCC1CCC([C@H](Br)c2cc(Br)ccc2Br)CC1 1878033498 AIJDJEMAXLSQBC-PPUFBPAQSA-N 453.056 7.254 50 10 JKGE FC(F)(F)[C@@H]1OC2([C@@H](Br)c3cc(Br)sc3Br)CC1C2 1878419377 SJNILZBJERRSHJ-HBBLIZCNSA-N 484.957 5.819 50 10 JKGE O=S(=O)(c1cc(CBr)oc1Br)N(Cc1ccccc1)Cc1ccccc1 1880810717 SWSLUBXCQODPFB-UHFFFAOYSA-N 499.224 5.328 50 10 JKGE CC(C)(C)OC(=O)N[C@H](CBr)Cc1c(Br)cccc1Br 1882084880 PBBJTKMPKNZABE-VIFPVBQESA-N 472.015 5.042 50 10 JKGE Brc1ccc([C@@H](CI)OCCOCc2ccccc2)cc1 1884492558 AOXIOBQUYQUHCU-QGZVFWFLSA-N 461.137 5.159 50 10 JKGE CCC[C@@H]1C[C@H]1[C@H](Br)c1c(Br)sc(Br)c1Cl 1897488658 QYCIQTMAMUCRJW-JKMUOGBPSA-N 451.449 6.799 50 10 JKGE CC[C@H](Cl)CN(Cc1ccccc1)C(=O)c1ccc(Br)cc1Br 1915113104 HENVTQNIFGFORR-HNNXBMFYSA-N 459.609 5.871 50 10 JKGE Cc1cccc(C(=O)N(Cc2ccccc2)[C@H](C)CCBr)c1I 1915130856 QBKKPWRJFSECIZ-OAHLLOKOSA-N 486.191 5.416 50 10 JKGE Clc1ccc(C[C@H](Br)c2scc(Br)c2Br)nc1 1918235064 ASRZEERUTNGBCJ-QMMMGPOBSA-N 460.416 6.000 50 10 JKGE FC1(F)[C@@H]([C@@H](Br)c2sc(Br)cc2Br)C12CCCC2 1922905972 FDWMXYVPQJMVGV-WPRPVWTQSA-N 464.995 6.535 50 10 JKGE CCN(C[C@@](C)(CI)OCC1(C)CCCCC1)C(=O)OC(C)(C)C 1945635976 DZYTWWYNSYXWJR-LJQANCHMSA-N 453.405 5.424 50 10 JKGE Fc1ccc([C@@H](Br)c2sc(Cl)cc2Br)cc1Br 1948829631 VVLLPDJJYJAFHY-SNVBAGLBSA-N 463.391 6.550 50 10 JKGE CC[C@H](C)[C@@H](CI)NCc1cccc(Br)c1Br 2023044272 PSUPCNSQFAISRN-JOYOIKCWSA-N 475.006 5.151 50 10 JKGE FC1(F)[C@@H]2CC[C@H]([C@H](Br)c3cc(Br)c(Br)s3)C[C@H]21 2030333348 LYUUQMLQMPELOP-DHCFDGJBSA-N 464.995 6.391 50 10 JKGE Fc1cc(Br)ccc1C[C@@H](Br)c1sc(Cl)cc1Br 2036942908 ZWZQYBYGXZZKJM-MRVPVSSYSA-N 477.418 6.744 50 10 JKGE Cc1nn(-c2ccccc2)c2c1[P@@](=O)(c1ccccc1)C(=C1N(C)c3ccccc3C1(C)C)C=N2 2040465247 FGKLFSGVWKOSLC-PGUFJCEWSA-N 478.536 5.850 50 10 JKGE CC(C)CN(Cc1ccccc1)S(=O)(=O)c1ccc(Cl)c(CBr)c1Cl 2059290969 FMNWAVZOKJYHDV-UHFFFAOYSA-N 465.240 5.735 50 10 JKGE Cc1c(Br)sc([C@H](Br)[C@H]2C[C@@H]3CC[C@H](C2)O3)c1Br 2061004528 CWLDJYNNHYCAHQ-SDNRWEOFSA-N 459.041 5.975 50 10 JKGE Cc1c(Br)sc([C@@H](Br)[C@@H]2C[C@@H]3CCC[C@@H]3C2)c1Br 2063508216 HWIPLZSCIVXXGE-XNDJQWLSSA-N 457.069 6.844 50 10 JKGE CCn1cc([C@H](Br)c2c(Br)sc(C)c2C)nc1Br 2082883935 IDOXLOUSFFETGS-JTQLQIEISA-N 457.029 5.591 50 10 JKGE COc1sccc1[C@H](Br)c1ccc(Br)c(C)c1Br 2083330562 QAMILTJXRAMYIX-GFCCVEGCSA-N 455.009 6.074 50 10 JKGE C[C@@H](N(Cc1ccccc1)S(=O)(=O)c1cc(CCl)ccc1Br)C(C)(C)C 2095912856 NHYSYSZKWMEWLJ-OAHLLOKOSA-N 458.849 5.813 50 10 JKGE COc1ccc([C@H](Cl)c2cscc2OCc2ccccc2)c(OC)c1Br 2100091066 GISCFYCVTQQOFD-IBGZPJMESA-N 453.785 6.435 50 10 JKGE FC1(F)CCC[C@@H]2[C@H]([C@H](Br)c3c(Br)sc(Br)c3Cl)[C@H]21 2114391293 FSMRDGZWWJCEQU-ZILMGAKASA-N 499.440 7.044 50 10 JKGE C[C@@H](c1nscc1Br)N(C)c1cc(Br)ccc1CBr 2130035246 YIUUYRRDIQJHAH-QMMMGPOBSA-N 469.040 5.760 50 10 JKGE Cc1cc(Cl)c(Br)cc1[C@@H](Br)c1cc(Br)ccc1F 2137643157 PGJWJKFROVDBII-CQSZACIVSA-N 471.389 6.797 50 10 JKGE Clc1cc(Br)cc(Cl)c1Oc1ccc(CBr)c(Br)c1 2138250252 FGIOCIUONVNOKR-UHFFFAOYSA-N 489.816 7.206 50 10 JKGE CC1(C)CCC[C@H]([C@H](Br)c2ccc(Br)cc2Br)CC1 2138864720 PECAARGGRAIHND-NHYWBVRUSA-N 453.056 7.254 50 10 JKGE COc1c(Br)cc(C)cc1[C@@H](Br)c1cc(Br)oc1C 2139012239 ZWDJYKWUIHVNSA-ZDUSSCGKSA-N 452.968 5.914 50 10 JKGE Cc1cc([C@@H](Br)c2cc3nc(O)[nH]c3cc2Br)c(Br)s1 2157248068 IKCVVNOCJAJWNR-NSHDSACASA-N 481.007 5.648 50 10 JKGE CCCC(CBr)(CCC)CN1C[C@@H](CC)N(C(=O)OCc2ccccc2)C[C@H]1CC 2162985322 HIZIEWPFJTTYQR-DHIUTWEWSA-N 481.519 6.480 50 10 JKGE CCn1cc(Br)c([C@H](Br)c2cc(C)c(Br)cc2OC)n1 2181186378 PFMUPLHWYHHOPU-CYBMUJFWSA-N 466.999 5.229 50 10 JKGE FC(F)(F)CCCCC(CBr)(CBr)c1cccc(Br)c1 2201503642 RRJXPZRCTVZLTD-UHFFFAOYSA-N 480.988 6.599 50 10 JKGE Brc1ccc(Br)c(CN2CCCC23CCC(Br)CC3)c1 2202248476 PEMNFLJGTLAZFJ-UHFFFAOYSA-N 466.055 5.884 50 10 JKGE Cc1c(Br)ccc([C@@H](Br)C(F)(F)C2CCCCC2)c1Br 2203687698 QVPQHHYBGSRRRG-CQSZACIVSA-N 475.009 7.172 50 10 JKGE C[C@H](Cl)c1nc2cc(Br)c(Br)cc2n1[C@@H](C)COCc1ccccc1 2218654812 JDRCEORSQDXWAT-STQMWFEESA-N 486.635 6.639 50 10 JKGE Cc1cc(Br)ccc1[C@H](Br)c1c(C)sc(Br)c1C 2218799057 CKNRWVSCNWFMBA-ZDUSSCGKSA-N 453.037 6.683 50 10 JKGE Cc1sc(C[C@H](Br)c2ccccc2Br)c(C)c1Br 2218930839 HIVWHOUHUWRDAU-LBPRGKRZSA-N 453.037 6.569 50 10 JKGE Cn1nc([C@@H](Br)Cc2ccc(Br)cc2Cl)cc1Br 2221704937 VYQPTMKDMBQZIO-VIFPVBQESA-N 457.391 5.277 50 10 JKGE F[C@@H]1CCC[C@@H]([C@H](Br)c2c(Br)cc(Cl)c(Cl)c2Cl)C1 2224319570 GCOSROJXASLWAZ-AMXGMDGSSA-N 453.404 7.374 50 10 JKGE FC(F)(F)[C@@H]1C[C@@H]1[C@H](Br)c1c(Br)cc(Cl)c(Cl)c1Cl 2224322770 QFOKASRIWKLRIT-FXLGRURVSA-N 461.330 7.044 50 10 JKGE CC1(C)CCCC[C@@H]1[C@@H](Br)c1cc(Br)c(Br)cc1F 2225617282 NPAQZPVCJGSYJJ-YGRLFVJLSA-N 457.019 7.003 50 10 JKGE Fc1ccc([C@H](Br)c2cc(Br)c(Br)cc2F)c(F)c1 2225617761 QZYJMDVFMKKZEM-ZDUSSCGKSA-N 458.897 6.113 50 10 JKGE Cc1c(Br)csc1[C@H](Br)c1cc2c(cc1Br)OCC2 2226123217 NVIPGQLNYYNURA-CYBMUJFWSA-N 467.020 6.001 50 10 JKGE Cc1cc([C@H](Cl)c2c(Br)cc(C)c(Br)c2C)sc1Br 2227349621 SIXFKQAALCIYOI-ZDUSSCGKSA-N 487.482 7.289 50 10 JKGE C[C@]1([C@H](Br)c2c(Br)cc(Cl)c(Cl)c2Cl)C[C@H]1C(F)(F)F 2232525657 DNNLIRQVNSPFFJ-PFZYVWIYSA-N 475.357 7.434 50 10 JKGE CC(C)(C)OC1CC(C[C@@H](Cl)c2c(Br)sc(Br)c2Cl)C1 2232951721 UFAQCRPCJCTTKC-AMDVSUOASA-N 465.078 7.190 50 10 JKGE FC1(F)[C@H]2CCC[C@@H]1C[C@@H]([C@@H](Br)c1cc(Br)c(Br)s1)C2 2233640344 UPAJFMMYSLGSIJ-KZFFXBSXSA-N 493.049 7.171 50 10 JKGE Brc1cc([C@H](Br)c2cc3sc(Br)cc3s2)ns1 2252905117 MOGUYMYSBRVWNK-JTQLQIEISA-N 474.062 6.429 50 10 JKGE Brc1cc([C@@H](Br)c2cc3sc(Br)cc3s2)co1 2252909176 KFYWDRBCQMZROO-LLVKDONJSA-N 457.006 6.565 50 10 JKGE CCCCc1ccc([C@@H](Cl)c2ccc(I)c(Br)c2)s1 2264362346 XOYYESKWBJPGNT-HNNXBMFYSA-N 469.613 6.786 50 10 JKGE Cc1cc([C@@H](Br)c2c(F)cccc2I)c(Cl)cc1F 2267659673 MOIGAXHLQPJZFL-CQSZACIVSA-N 457.483 6.016 50 10 JKGE COc1ccc([C@H](Br)c2sc(C)c(C)c2C)cc1I 2269534370 NNPLUMDDFFXRMW-AWEZNQCLSA-N 451.167 5.771 50 10 JKGE COc1ccc([C@@H](Br)c2ccc(Cl)c(C)c2)cc1I 2269538940 CNZFHEHJIWLHRX-HNNXBMFYSA-N 451.529 5.746 50 10 JKGE Cn1nc([C@@H](Cl)c2c(F)cc(Br)c(F)c2Br)cc1Br 2272730978 CMDPVFLFJJTXQA-SNVBAGLBSA-N 479.344 5.314 50 10 JKGE Fc1cc(Br)c(F)c(Br)c1[C@H](Br)[C@]12C[C@H](CCO1)C2 2272747723 NIMGPWAAZTVVFN-SQPCXJJOSA-N 460.938 5.495 50 10 JKGE COc1c(Br)cc(Cl)c(C)c1[C@@H](Br)c1cc(Br)sn1 2277882834 GLNODORFAKLQNY-NSHDSACASA-N 490.442 6.123 50 10 JKGE CCCC(CBr)(CCC)CN(C)Cc1ccccc1I 2280350428 XFXXKVMJTRDMRX-UHFFFAOYSA-N 452.218 5.705 50 10 JKGE BrCCCCC1CCN(Cc2cccc(Br)c2Br)CC1 2283213034 CLHITSKHMCKVPF-UHFFFAOYSA-N 468.071 5.989 50 10 JKGE Brc1cc(Br)cc(C[C@H](Br)c2ccc3sccc3c2)c1 2295338494 XQKWIQNMZHSELJ-HNNXBMFYSA-N 475.043 7.105 50 10 JKGE Cc1c(Cl)cc([C@@H](Cl)c2cc3sc(Br)cc3s2)cc1Br 2295510869 BGBOSKFEYCNMCZ-CQSZACIVSA-N 471.066 7.778 50 10 JKGE CN(C(=O)c1cc(Br)sc1Br)[C@@H](CBr)c1ccccc1 2296330232 RUUWDCAASNRCQG-NSHDSACASA-N 482.035 5.481 50 10 JKGE Cc1ccc(NC(=O)C(C#N)=C2S[C@H](Cc3ccc(Cl)cc3)C(=O)N2c2ccccc2)cc1 2296506817 GMIAEOOYPGAMPI-HSZRJFAPSA-N 473.985 5.713 50 10 JKGE C[C@]1(C(F)F)C[C@@H]1[C@H](Br)c1cc(Br)ccc1OCc1ccccc1 2299524355 CKUDGKOJUACVSJ-SUMDDJOVSA-N 460.156 6.755 50 10 JKGE Cc1c(Br)ccc([C@@H](Cl)c2cnsc2Br)c1Br 2300305012 RUOXPPHIRXMUDY-SNVBAGLBSA-N 460.416 6.067 50 10 JKGE FC(F)(C1CCCC1)[C@@H](Br)c1sc(Cl)cc1I 2301080967 JTWBDBZUPHLTDK-JTQLQIEISA-N 455.533 6.268 50 10 JKGE Cc1c(Br)sc([C@@H](Br)[C@H]2CC[C@@H]3C[C@H]2CO3)c1Br 2312740962 BOEVEFBIICGQMD-DKIAZLNASA-N 459.041 5.833 50 10 JKGE COc1cc(C=C(C#N)C(=O)NCc2ccccc2)cc(Cl)c1OCc1ccc(F)cc1 2313565325 PYEUZHFSWCMSIK-UHFFFAOYSA-N 450.897 5.290 50 10 JKGE Cc1ccc(NC(=O)C(C#N)=Cc2cc(Cl)c(OCc3cccc([N+](=O)[O-])c3)c(Cl)c2)cc1 2313568843 XTDNZCOUKMIQHQ-UHFFFAOYSA-N 482.323 6.335 50 10 JKGE COc1cc(C=C(C#N)C(=O)Nc2cc(Cl)ccc2Cl)ccc1OC(=O)c1ccc(C)cc1 2313631222 MIVVBBNTZDFVCF-UHFFFAOYSA-N 481.335 6.075 50 10 JKGE Cc1ccc(Cl)cc1NC(=O)C(C#N)=Cc1cn(Cc2cccc(Cl)c2)c2ccccc12 2313738451 DNFPBCCXESOOFV-UHFFFAOYSA-N 460.364 6.851 50 10 JKGE Fc1cc(F)cc([C@@H](Br)c2cc(Br)ccc2OCc2ccccc2)c1 2314448532 ISOODISDJCHJPQ-HXUWFJFHSA-N 468.135 6.791 50 10 JKGE Cc1ccc([C@@H](Br)c2cc(Br)ccc2OCc2ccccc2)c(F)c1 2314449633 RJAPZXYSDLSIQG-OAQYLSRUSA-N 464.172 6.960 50 10 JKGE Cc1cccc(Br)c1[C@@H](Cl)c1ccc(OCc2ccccc2)cc1Br 2314452565 OLGKUIJQDIBTLX-NRFANRHFSA-N 480.627 7.427 50 10 JKGE Cc1ccc(-c2ccc(C=C(C#N)c3nc(O)c4c5c(sc4n3)CCCC5)o2)c([N+](=O)[O-])c1 2314457059 WBVUJUBTFGUZHA-UHFFFAOYSA-N 458.499 5.817 50 10 JKGE N#CC(=Cc1ccc(-c2ccccc2[N+](=O)[O-])o1)C(=O)Nc1ccc(Cl)c(C(F)(F)F)c1 2314489606 TVKFULJTRFUSDC-UHFFFAOYSA-N 461.783 6.073 50 10 JKGE N#CC(=Cc1cccn1-c1ccc([N+](=O)[O-])cc1)C(=O)Nc1ccc(Cl)c(C(F)(F)F)c1 2314489653 ULDUKFPWVPQHBW-UHFFFAOYSA-N 460.799 5.603 50 10 JKGE CCCCSc1ccc(-c2nn(-c3ccccc3)cc2C=C2C(=O)N(C)C(=O)C(C#N)=C2C)cc1 2314617645 NIFVILGBHSMZGL-UHFFFAOYSA-N 482.609 5.654 50 10 JKGE C=CCOc1cccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)C=Cc4ccc(C)cc4)ccc32)c1 2314634754 GOTLWMXHTQKSGR-NDEPHWFRSA-N 464.521 5.397 50 10 JKGE CCOc1ccc(C=C(C#N)C(=O)Nc2sc(C)c(-c3ccc(F)cc3)c2C(=O)OC)cc1 2314759939 HKBOYEYMYJVJNL-UHFFFAOYSA-N 464.518 5.594 50 10 JKGE CC(C)(CCCl)C(=O)Nc1c(Br)cc(Br)cc1Br 2315439650 HSCSUGVRZIKMAC-UHFFFAOYSA-N 462.407 5.568 50 10 JKGE Clc1cc(I)c([C@@H](Br)c2cccc3ccsc23)s1 2316607749 VGYTYDRCYNDPCB-NSHDSACASA-N 469.594 6.705 50 10 JKGE Cc1cc(Br)c(F)c(Br)c1[C@H](Br)[C@@H](F)C(F)(F)F 2317404586 UOUORLHMPHJLIS-IONNQARKSA-N 460.860 5.996 50 10 JKGE COc1ccccc1C(C#N)=Cc1cccc(OC(=O)COc2ccc(Cl)cc2Cl)c1 2320510959 GSLRGEHKKGTYHY-UHFFFAOYSA-N 454.309 6.051 50 10 JKGE N#CC(=C(O)[C@H]1CC(=O)N(Cc2ccccc2)C1)c1nc(-c2ccc(Cl)cc2Cl)cs1 2331250995 FZJDISHPCNMJNN-HNNXBMFYSA-N 470.381 5.958 50 10 JKGE COc1ccc(OC)c(-c2csc(C(C#N)=C(O)CCCOc3ccc(Cl)cc3Cl)n2)c1 2331325282 FPPABCLQHUCHQK-UHFFFAOYSA-N 491.396 6.786 50 10 JKGE Cc1cc(C)c(C)c(-c2csc(C(C#N)=C(O)c3ccc4c(c3)C(=O)N(C(C)C)C4=O)n2)c1C 2331364716 QEKRRAKDFDVBIW-UHFFFAOYSA-N 471.582 5.998 50 10 JKGE COc1ccc(-c2csc(C(C#N)=C(O)C=Cc3ccc(Cl)c(Cl)c3)n2)c(OC)c1OC 2331412694 XWQFTNWVDVHOFC-UHFFFAOYSA-N 489.380 6.649 50 10 JKGE CCCCOc1ccc(C=C(C#N)c2nc(-c3ccc(-c4ccccc4)cc3)cs2)cc1OCC 2331413685 KOQSTOIJEWVNJB-UHFFFAOYSA-N 480.633 8.119 50 10 JKGE COc1cc(Cl)ccc1[C@@H](Br)c1cc(Br)ccc1OCc1ccccc1 2336047702 NUBKMUCYNGMVCH-OAQYLSRUSA-N 496.626 7.174 50 10 JKGE CCCc1sc(Br)cc1[C@@H](Br)c1c(Br)c(C)nn1C 2338029025 DCWFEPGUKKXLSZ-GFCCVEGCSA-N 471.056 5.752 50 10 JKGE Cl[C@H]1CCCCCCC[C@@H]1Cc1ccc(I)c(Br)c1 2349778398 KRVWVQSLTZEWCB-HIFRSBDPSA-N 455.605 6.564 50 10 JKGE Clc1ccc(I)cc1CN1CC[C@H](CBr)C12CCC2 2352431341 GDZNTICAZQOTEA-GFCCVEGCSA-N 454.577 5.084 50 10 JKGE C[C@@H](Cl)c1nc2ccc(F)c(Br)c2n1[C@@H]1CN(Cc2ccccc2)C[C@H]1C 2357222978 CDDPGVIWAXRXNY-HBUWYVDXSA-N 450.783 5.931 50 10 JKGE Fc1cc(Cl)c(Br)c(Cl)c1[C@H](Br)Cc1ccccc1Cl 2360424728 VXWRKDXCSUEHJY-MRVPVSSYSA-N 461.383 7.227 50 10 JKGE Brc1cc(OCc2ccccc2)ccc1[C@H](Br)[C@@H]1C[C@@H]1C1CCCCCC1 2361200658 LNIMGOVUDOWDSM-AKFKNWHVSA-N 492.295 8.071 50 10 JKGE COCc1cc(Br)c([C@H](Br)c2ccc(Cl)c(Cl)c2C)s1 2364439332 YSAPNMZFNFARQH-GFCCVEGCSA-N 459.030 6.757 50 10 JKGE CC(C)Cc1ccc([C@@H](Br)c2ccc(Cl)cc2I)cc1 2365597106 ZFCJLLRRJUKBIU-QGZVFWFLSA-N 463.584 6.627 50 10 JKGE COc1c(F)cc([C@@H](Br)c2cc(Br)cc(Br)c2)cc1F 2370456010 HRRVIILPUPZZIJ-ZDUSSCGKSA-N 470.933 5.983 50 10 JKGE N#CC1=C(N)Oc2cc(O)c(/C=N/c3cc(C(F)(F)F)ccc3Cl)cc2[C@H]1c1cccc(F)c1 2186627 GNKVDWQOYOZFAA-BFKKPLOISA-N 487.840 6.172 50 10 JKGE Cc1c(/C=C(/C#N)C(=O)N[C@H](C)c2ccccc2)c2ccccn2c1C(=O)c1ccc(F)cc1 3256610 XGEDTPZXDHMALD-OSEFQUDUSA-N 451.501 5.402 50 10 JKGE O=C(Cc1ccc([N+](=O)[O-])cc1)N/N=C\c1ccc(OCc2ccccc2)cc1OCc1ccccc1 4472314 YKXROSCYQRDEPX-FSGOGVSDSA-N 495.535 5.446 50 10 JKGE C/C(=N\NC(=O)COc1ccc(Br)cc1Br)c1ccc2ccccc2c1 12584057 VATUGNIFMHRAJK-YDZHTSKRSA-N 476.168 5.284 50 10 JKGE CC[C@@H](Oc1ccc(-c2ccccc2)cc1)C(=O)NNC(=O)COc1ccccc1[C@H](C)CC 14768307 JUDDPAVTWDZBKE-CJFMBICVSA-N 460.574 5.251 50 10 JKGE CCN(Cc1ccccc1)c1ccc(/C=C(/C#N)S(=O)(=O)c2ccc(Br)cc2)cc1 33479844 SLQDNJNEUQHHGF-JLPGSUDCSA-N 481.415 5.814 50 10 JKGE COc1cc(/C=C(/C#N)c2nc(-c3ccccc3)cs2)ccc1OCC(=O)Nc1ccccc1 35519939 QAFWTVHCBCTBIG-STZFKDTASA-N 467.550 5.900 50 10 JKGE C=CCOc1cccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)COc4ccc(Cl)cc4)ccc32)c1 38684521 DGZNQZIEYGFJHU-AREMUKBSSA-N 488.927 5.107 50 10 JKGE Cc1cccc(NC(=O)c2oc3c(c2C)/C(=N/NC(=O)C(c2ccccc2)c2ccccc2)CCC3)n1 40815591 VZAKJBVCGJJXKP-GZZLJNBRSA-N 492.579 5.532 50 10 JKGE C=CCc1cc(/C=N\NC(=O)CC[C@H](O)c2ccccc2)cc(OCC)c1OCc1ccccc1C#N 58892258 XLONIPMJFRDENG-GGGXGRJCSA-N 497.595 5.228 50 10 JKGE CSc1ccc(/C=N/NC(=O)CSc2c(Cl)c(Cl)c(Cl)c(Cl)c2Cl)cc1 59151303 QNSDSNBKPXLWKQ-GEVRCRHISA-N 488.676 6.918 50 10 JKGE COC(=O)[C@@H](Oc1ccc2cc(/C=N/NC(=O)OC(C)(C)C)sc2c1)c1ccc(Cl)cc1 95938068 LSKMKBUMZHWZKG-HMHIXTCJSA-N 474.966 5.706 50 10 JKGE Cc1ccc(N/C(SCc2ccc(F)cc2)=C(\C#N)S(=O)(=O)c2ccccc2)cc1Cl 96482144 XGAYEEKIGSNISK-FCQUAONHSA-N 472.994 6.299 50 10 JKGE CC1=C(C#N)C(=O)N([C@H](C)c2ccccc2)C(=O)/C1=C/c1ccc(-c2cc(Cl)ccc2Cl)o1 101337824 ZKYQNVKCWQHASX-RBYWHNRPSA-N 477.347 6.607 50 10 JKGE COc1cc(/C=C(/C#N)S(=O)(=O)c2ccc(Cl)cc2)ccc1OCc1c(F)cccc1Cl 103761864 PIESPCRDOFTTAF-WQRHYEAKSA-N 492.355 6.058 50 10 JKGE Clc1cccc([C@@H](Br)c2cc3c(cc2Br)OCCO3)c1Cl 109865676 SKXKGKKZBSDOQY-CQSZACIVSA-N 452.957 6.011 50 10 JKGE CCOc1ccc(Br)cc1[C@H](Cl)c1cc(Br)c(Br)s1 128853635 PUWIOHDWGHHJAB-LBPRGKRZSA-N 489.454 6.763 50 10 JKGE Brc1cc([C@@H](Br)[C@@H]2[C@@H]3CCc4ccccc4[C@H]32)sc1Br 164426911 QWMKOIXUVDYMHP-JUDXGUMMSA-N 477.059 6.685 50 10 JKGE Clc1ccc(C(CBr)(CBr)Cc2ccc(Br)cn2)cc1 169003306 GMJMQNVQIWDMPB-UHFFFAOYSA-N 482.441 5.768 50 10 JKGE Cc1ccc2[nH]c(C3CCN(C(=O)NC[C@]4(C)C[C@@H](N=C=O)CC(C)(C)C4)CC3)c(C)c2c1 170290689 FVPTYAOXPBGGBH-KDYSTLNUSA-N 450.627 5.595 50 10 JKGE CCOC(=O)c1c(NC(=O)/C(C#N)=C\c2ccc(-c3ccccc3F)o2)sc2c1CCCC2 209396905 ZYTCZTUDIUGGDX-SQFISAMPSA-N 464.518 5.748 50 10 JKGE C[C@@H](NC(=O)/C(C#N)=C\N(Cc1ccccc1)Cc1ccccc1)C12CC3CC(CC(C3)C1)C2 217044111 XQPBRMWMSKEBBF-VWBJFKKOSA-N 453.630 5.817 50 10 JKGE O=[N+]([O-])c1ccc(Oc2ccc(Br)cc2Br)c(CBr)c1 218322075 GFTSSYTUZYSBPP-UHFFFAOYSA-N 465.923 5.807 50 10 JKGE Cc1cc([C@@H](Br)c2ccc(Cl)c(Br)c2)c(C)cc1Br 235864356 ROMAHCSZEMSJHC-HNNXBMFYSA-N 467.426 6.966 50 10 JKGE Cc1cc([C@H](Br)c2ccc(F)cc2I)sc1Br 235865010 GMYJMHORESTSKE-LLVKDONJSA-N 489.973 6.047 50 10 JKGE Clc1ccc(Br)c([C@@H](Br)Cc2cccc(Br)c2)c1 236050877 FHJQBRRIZACSGU-AWEZNQCLSA-N 453.399 6.544 50 10 JKGE COc1cc(C=NNC(=O)COc2ccc(Cl)cc2)cc(Cl)c1OCc1ccc(Cl)cc1 252622438 NVGCDYIYZJKLLU-UHFFFAOYSA-N 493.774 5.764 50 10 JKGE CCCCCCCCCCCCCCCC(=O)NN=Cc1cccc(OCc2ccccc2)c1 254315859 CPEGGOIYNIMMJO-UHFFFAOYSA-N 464.694 8.197 50 10 JKGE Fc1ccc([C@@H](Br)c2scc(C(F)(F)F)c2Br)c(Cl)c1 312336314 FOPWXQFURVPMHU-SECBINFHSA-N 452.492 6.806 50 10 JKGE C[C@]1(CI)CC[C@@H](c2cc(Br)cc(Br)c2)O1 394574712 RFBDPAAIAOPJHE-NWDGAFQWSA-N 459.947 5.257 50 10 JKGE Cc1c(Cl)cccc1[C@H]1CN(C(=O)OCc2ccccc2)C[C@@H]1CI 394692399 PJRLDQGFVPZCDE-WMZOPIPTSA-N 469.750 5.436 50 10 JKGE N#CSc1ccc(NC(=O)Nc2cccc(C(=O)NCc3cccc(C(F)(F)F)c3)c2)cc1 586701082 UJRIMOJFIAMPGQ-UHFFFAOYSA-N 470.476 5.853 50 10 JKGE CC1(C)CC(/C=C/c2ccc(N3N=C(c4ccccc4)C[C@@H]3c3ccccc3)cc2)=CC(=C(C#N)C#N)C1 685944477 QIWADIDXDSJKMZ-QXORNKNPSA-N 494.642 8.146 50 10 JKGE C[C@@]12CN(Cc3ccccc3)C[C@H]1CN(c1cccc(Br)c1CBr)C2 702109285 PYSNJMWZNIUWQW-UWJYYQICSA-N 464.245 5.302 50 10 JKGE Cc1oc(Br)cc1[C@@H](Br)c1cc(Br)cc2c1O[C@H](C)C2 720027198 PGSSSJZSOTXMLV-NXSYQRQQSA-N 464.979 5.921 50 10 JKGE COc1ccc(C(=O)Oc2ccc(/C=C(/C#N)C(=O)Nc3cccc4ccccc34)cc2OC)cc1 1084133279 JZWWQPAGEMEAMX-JWGURIENSA-N 478.504 5.622 50 10 JKGE CCc1ccc(NC(=O)C(=O)NN=Cc2c(OCc3ccccc3)ccc3ccccc23)cc1 1084183649 XHUBLDXRVPRHAG-UHFFFAOYSA-N 451.526 5.070 50 10 JKGE COC(=O)COc1c(Cl)cc(/C=C(\C#N)C(=O)Nc2cccc(Cl)c2Cl)cc1Cl 1084530420 UKQZTOZXALCYNW-VZUCSPMQSA-N 474.127 5.398 50 10 JKGE CC(C)(C)N(NC(=O)Nc1cc(F)c(F)cc1F)C(=O)c1cc(Cl)cc(C(F)(F)F)c1 1088694298 JBVRYSFYZBZSGG-UHFFFAOYSA-N 467.797 5.754 50 10 JKGE Cc1cc(C)c(NC(=O)[C@H](C)Oc2cccnc2NC(=O)Oc2ccc([N+](=O)[O-])cc2F)c(C)c1 1858686585 ASFTXCAXXSRVQZ-INIZCTEOSA-N 482.468 5.071 50 10 JKGE N#CSc1ccc(NC(=O)C2CCN(C(=O)/C=C/c3ccc(Cl)cc3Cl)CC2)cc1 1860593632 FTZCPMJVHYHEME-KRXBUXKQSA-N 460.386 5.457 50 10 JKGE N#CC1=C(N)Oc2c(c(-c3ccccc3)nn2Cc2cccc(Cl)c2)[C@H]1c1cccc2ccccc12 1865682197 IOPCZKUOIMBJND-SANMLTNESA-N 488.978 6.623 50 10 JKGE N#CC1=C(N)Oc2c(c(C(F)(F)F)nn2Cc2ccc(F)cc2)[C@H]1c1ccc(Cl)cc1Cl 1865685216 FVFDPTUNRGMSIL-INIZCTEOSA-N 483.252 5.614 50 10 JKGE CCCOc1cccc([C@@H]2C(C#N)=C(N)Oc3c2c(CCC)nn3Cc2ccc(Cl)cc2)c1 1865692761 FWBRSFBADBBOQX-HSZRJFAPSA-N 462.981 5.544 50 10 JKGE COc1cc([C@@H]2C(C#N)=C(N)Oc3c2c(-c2ccccc2)nn3-c2cccc(Cl)c2)ccc1O 1865706526 YNGOCYJIFVCVFA-JOCHJYFZSA-N 470.916 5.125 50 10 JKGE COc1ccc(-c2c(C3CCC3)oc3cc(OCc4ccc(CCl)cc4)ccc3c2=O)cc1 1871436731 NFXBCXAQWVBRDR-UHFFFAOYSA-N 460.957 7.054 50 10 JKGE CCCCc1ccc(-c2csc(/C(C#N)=C(\O)COc3cc(C)c(Cl)c(C)c3)n2)cc1 1872745216 YAYNXGRWAHLJJG-LNVKXUELSA-N 453.007 7.295 50 10 JKGE COc1ccccc1-c1csc(/C(C#N)=C(O)/C(=C/c2ccc(OC(C)C)cc2)c2ccccc2)n1 1872747121 OEUMZBZURIRMAS-FOHFAKKCSA-N 494.616 7.639 50 10 JKGE CCOc1ccc(-c2csc(/C(C#N)=C(\O)[C@H](C(C)C)N3C(=O)c4ccccc4C3=O)n2)cc1 1872747493 GFINDLKXGSUQKQ-MBDQKHHZSA-N 473.554 5.322 50 10 JKGE CCOc1ccc(-c2csc(/C(C#N)=C(\O)c3ccccc3Br)n2)c(OCC)c1 1872755477 PRPAXKUXNVDTNX-FXBPSFAMSA-N 471.376 6.320 50 10 JKGE CCOc1cc(/C=C(\C#N)c2nc(-c3cccc4ccccc34)cs2)cc(Br)c1O 1872792274 PHUSFVZCASUHLC-LICLKQGHSA-N 477.383 6.894 50 10 JKGE FC(F)(F)Oc1ccc([C@H](Br)c2sc(Br)cc2Br)cc1 1922891621 MOUGPIAIYHFPIQ-JTQLQIEISA-N 494.952 6.656 50 10 JKGE Cc1c(Br)sc([C@H](Br)COCC(F)(F)F)c1Br 1922939254 HIAWVMNCCCFKIM-RXMQYKEDSA-N 460.935 5.596 50 10 JKGE Cn1nc([C@@H](Cl)c2c(Br)sc(Br)c2Cl)cc1Br 1923038195 HQZIOSUJYNXDOL-ZCFIWIBFSA-N 483.838 5.751 50 10 JKGE COc1cccc(F)c1[C@@H](Br)c1c(Br)sc(Br)c1Cl 1923068066 MNMREORYJCGHKN-SECBINFHSA-N 493.417 6.559 50 10 JKGE Cl[C@H](c1c(Br)sc(Br)c1Br)C1(c2ccccc2)CC1 1924596014 HWXPRMPNXKPEJY-LLVKDONJSA-N 485.466 7.047 50 10 JKGE C[C@@H]1OCCO[C@H]1[C@@H](Cl)c1c(Br)sc(Br)c1Br 1924615365 ZSQQAXHPZVWMLO-ZQASAOEGSA-N 469.420 5.119 50 10 JKGE Fc1c(Br)cccc1[C@@H](Br)c1sc(Cl)cc1Br 1948829741 WSKVPQPDOHPUEF-SECBINFHSA-N 463.391 6.550 50 10 JKGE C[C@@H]1CC[C@@H](NCCSSCCNC(=O)OC(C)(C)C)[C@@H](OCc2ccccc2)C1 1985350397 PPTAOBQGOFOAOF-NRSPTQNISA-N 454.702 5.256 50 10 JKGE Cc1c([C@@H](Br)c2sc(Cl)cc2Br)nn(C)c1Br 2002829272 LTHZXNVSPISASC-SSDOTTSWSA-N 463.420 5.453 50 10 JKGE C[C@]1(C(F)F)C[C@@H]1[C@H](Cl)c1c(Br)sc(Br)c1Br 2008185064 AMLVMLNMEFQQMR-UBVXDQCRSA-N 473.402 6.607 50 10 JKGE Cl[C@@H](c1c(Br)sc(Br)c1Br)[C@@H]1C2C[C@@H]3C1[C@@H]3C2 2016551801 HSJFDZLTBDVFQB-FRHCHZEWSA-N 461.444 6.218 50 10 JKGE Cc1csc([C@H](Br)c2cc(C3CC3)c(Br)s2)c1Br 2039332024 HYSAPVYJPUUVMD-LLVKDONJSA-N 471.077 7.005 50 10 JKGE Cc1c(Br)sc([C@@H](Br)[C@H]2CCCC(C)(C)C2)c1Br 2049575282 WKDDPBUBJASXEI-ONGXEEELSA-N 459.085 7.234 50 10 JKGE COc1ccc(Br)cc1[C@@H](Br)c1nc(C)sc1Br 2050330616 FLBSREZIHZAIJB-SNVBAGLBSA-N 455.997 5.469 50 10 JKGE COC[C@@H]1CC[C@@H]([C@@H](Cl)c2c(Br)sc(Br)c2Br)C1 2061293791 UDFVDFBANZPTPD-BRDIYROLSA-N 481.475 6.378 50 10 JKGE ClCc1cccc(Br)c1OCc1cccc(Br)c1Br 2092331004 PDNGDPHEPWVSSC-UHFFFAOYSA-N 469.398 6.292 50 10 JKGE O=C(c1cc(Br)sc1Br)N1CCC[C@H](CCBr)CC1 2093316351 ZPDQYIQCERYPHG-SECBINFHSA-N 474.056 5.300 50 10 JKGE C[C@H]1CCCN(C(=O)c2csc(Br)c2Br)[C@@H]1CCBr 2093944874 RACWBPRIZAGRTD-WCBMZHEXSA-N 474.056 5.299 50 10 JKGE Cc1cc([C@@H](Br)c2c(Br)cccc2Br)c(Cl)cc1F 2094091195 QAUAMEQFPYGZGK-CQSZACIVSA-N 471.389 6.797 50 10 JKGE Fc1cccc([C@H](Br)c2cc(C3CC3)c(Br)s2)c1Br 2094673029 GNPAZYOQLSZYSQ-ZDUSSCGKSA-N 469.011 6.774 50 10 JKGE Fc1c(Br)ccc(Oc2ccc(Br)cc2CBr)c1F 2096330539 OFAORJJFQILWSR-UHFFFAOYSA-N 456.906 6.177 50 10 JKGE Clc1cc(Br)cc(COc2cccc(CBr)c2Br)c1 2110529828 ZDWMOJHUBLQEPY-UHFFFAOYSA-N 469.398 6.339 50 10 JKGE C[C@H]1CN(C(=O)c2cc(Br)sc2Br)CC[C@H]1CCBr 2115846376 ZYPFUYORNSINCR-DTWKUNHWSA-N 474.056 5.156 50 10 JKGE CO[C@H]1CC[C@H](C(CBr)(CBr)c2ccc(Br)cc2)C1 2130615640 AECZFRCIDGWMTN-JSGCOSHPSA-N 455.028 5.292 50 10 JKGE COc1c(Cl)cc(Br)cc1[C@@H](Br)c1cn(C)nc1Br 2138237733 AXWQEIJUIPOQHR-SNVBAGLBSA-N 473.390 5.091 50 10 JKGE Cc1ccc(C[C@H](CBr)Cc2c(Br)cccc2Br)cc1 2150495019 KNKKALDBKALWFE-AWEZNQCLSA-N 461.035 6.316 50 10 JKGE ClCc1nc2cc(Br)c(Cl)cc2n1C[C@@H]1CN(Cc2ccccc2)CCO1 2159869507 AMEZUUKTNPZOAK-HNNXBMFYSA-N 469.210 5.092 50 10 JKGE Fc1cc(Br)cc(CBr)c1OCc1cc(Br)ccc1Cl 2166830839 IKTRKJADMLSZHU-UHFFFAOYSA-N 487.388 6.478 50 10 JKGE Cc1csc(CN(C)c2cc(Br)cc(F)c2CBr)c1Br 2170696631 HKMWWFAJHDTFAJ-UHFFFAOYSA-N 486.042 6.252 50 10 JKGE COc1ccnc(COc2c(Br)cc(CBr)cc2Br)c1 2173204317 NESJCSJRRWHGKK-UHFFFAOYSA-N 465.967 5.089 50 10 JKGE CCCn1cc(S(=O)(=O)N(Cc2ccccc2)C2CCCCC2)cc1CBr 2179858583 QFIDDIRFSGXGQM-UHFFFAOYSA-N 453.446 5.317 50 10 JKGE COCC(C)(C)N(Cc1ccccc1)S(=O)(=O)c1cc(Cl)cc(CBr)c1C 2179860269 PJPHRYISZCIVNT-UHFFFAOYSA-N 474.848 5.159 50 10 JKGE Cc1cc(Br)c(C)c([C@@H](Br)[C@H](C)C2CCCCC2)c1Br 2201067269 JLPIXCFPXOWPSX-DIFFPNOSSA-N 467.083 7.481 50 10 JKGE Cc1sc([C@H](Br)c2c(Br)sc(C)c2C)c(Br)c1C 2221833125 AEACUACUPOXPLJ-LLVKDONJSA-N 473.093 7.053 50 10 JKGE Cc1cc(Br)c([C@H](Br)CCCC(C)(F)F)c(C)c1Br 2227358885 BYZDANPXGCFTSX-SNVBAGLBSA-N 462.998 7.090 50 10 JKGE FC(F)(F)[C@@H]1CC[C@@H]1[C@@H](Br)c1cc(I)cc2c1OCC2 2232577238 NYTWZPQYINLHJD-MVWJERBFSA-N 461.059 5.251 50 10 JKGE COc1cc(Cl)c([C@H](Br)c2ccc(C)c(I)c2)cc1Cl 2232832766 GSOLQWNPYHSRHM-OAHLLOKOSA-N 485.974 6.399 50 10 JKGE Cc1cc(Br)c([C@H](Br)[C@H]2CCCCS2(=O)=O)c(C)c1Br 2235604244 NAYCTXMVWCCYOO-BXUZGUMPSA-N 489.067 5.232 50 10 JKGE Cc1cc([C@H](Br)c2c(F)cccc2I)c(C)cc1Cl 2267737503 HCWSFKRHCRNMBO-HNNXBMFYSA-N 453.520 6.185 50 10 JKGE Cc1cc(Cl)c(Cl)cc1[C@H](Cl)c1ccc(Br)c(C)c1Br 2286516013 RLKUDCDMLZFGPY-OAHLLOKOSA-N 457.420 7.463 50 10 JKGE COc1cccc(C=C(C#N)C(=O)Nc2ccccc2C(F)(F)F)c1OCc1ccccc1Cl 2295187721 CKWGXKSRVGTSHO-UHFFFAOYSA-N 486.877 6.492 50 10 JKGE Cc1cc([C@H](Br)Cc2cc(Br)cc(Br)c2)c(C)cc1F 2295273819 CFNSULHAKQIKCJ-OAHLLOKOSA-N 464.998 6.646 50 10 JKGE COc1ccc(-c2csc(C(C#N)=CNc3ccc(I)cc3)n2)cc1OC 2296800710 PNHGSZABBVOPQM-UHFFFAOYSA-N 489.338 5.408 50 10 JKGE COc1ccc(Br)cc1C=C(C#N)C(=O)Nc1cc(C(F)(F)F)ccc1Cl 2297381428 FKCCNEFTAMBXGM-UHFFFAOYSA-N 459.649 5.676 50 10 JKGE CC(C)C[C@@H]1C[C@H]1[C@@H](Br)c1cc(Br)ccc1OCc1ccccc1 2299500246 DIISEPOTUBSRQO-HGHGUNKESA-N 452.230 7.146 50 10 JKGE CC1(C)COC[C@@H]1[C@@H](Br)c1ccc(OCc2ccccc2)cc1Br 2299624378 MIYPHOXQSIVKLZ-MJGOQNOKSA-N 454.202 6.137 50 10 JKGE Brc1cc(CC[C@H](Br)c2cccs2)ccc1I 2306216534 HGRBOBMFSNIGNN-JTQLQIEISA-N 486.010 6.184 50 10 JKGE Cc1cc(C=C(C#N)C(=O)Nc2ccc(Cl)cc2)c(C)n1-c1ccc(C(=O)O)c(Cl)c1 2313562335 OGKRBBZVUSDFLS-UHFFFAOYSA-N 454.313 5.645 50 10 JKGE Brc1ccc(OCc2ccccc2)c([C@@H](Br)[C@@H]2CC3CCC2CC3)c1 2314448965 MCVQLINIAWVSFA-GEAWFXGISA-N 464.241 7.290 50 10 JKGE Brc1ccc(OCc2ccccc2)c([C@H](Br)[C@@H]2CO[C@H]3COC[C@@H]23)c1 2314454295 FLFLDIYMBAIFLZ-HNJRGHQBSA-N 468.185 5.126 50 10 JKGE COC1CC(CC[C@H](Br)c2cc(Br)ccc2OCc2ccccc2)C1 2314458505 FNWGZMQHNMZRLR-NLPFYKDJSA-N 468.229 6.669 50 10 JKGE Brc1ccc(OCc2ccccc2)c([C@H](Br)[C@@H]2C[C@@H]3CCCC[C@@H]32)c1 2314498778 XPZXWBMBZRAUDR-FAGZOMQFSA-N 464.241 7.290 50 10 JKGE Cc1ccc(N2C(=O)[C@H](Cc3ccccc3)SC2=C(C#N)C(=O)Nc2ccccc2C)cc1C 2314592269 PHKVAMAZYJZKQH-VWLOTQADSA-N 467.594 5.677 50 10 JKGE C[C@@H](Oc1ccc(-c2ccccc2)cc1)C(=O)Oc1ccc(C=C(C#N)C(=O)NCc2ccco2)cc1 2314760112 GGULBNHTCCUASS-OAQYLSRUSA-N 492.531 5.543 50 10 JKGE BrCc1ccc(Oc2cc(Br)cc(Br)c2)c(Br)c1 2316756433 DTMWNWWMFAJYBE-UHFFFAOYSA-N 499.822 6.661 50 10 JKGE CCOc1cc(C=C(C#N)c2nc3ccccc3n2CC)ccc1OCc1cc(C)ccc1C 2318418254 UYLHYSKSLVHKDH-UHFFFAOYSA-N 451.570 6.715 50 10 JKGE C[C@@H]1C[C@@H](Br)CCN(Cc2ccc(I)c(Br)c2)C1 2325225755 IRKPDYXWJNCZHN-PWSUYJOCSA-N 487.017 5.049 50 10 JKGE Cc1cc(I)ccc1NC(=O)C(C#N)=CNc1ccc(Cl)cc1Cl 2325405901 NSXGYRFLHHXCRW-UHFFFAOYSA-N 472.113 5.365 50 10 JKGE COc1ccc(-c2csc(C(C#N)=C(O)C=Cc3ccc(OC(C)=O)c(OC)c3)n2)cc1C 2331259279 KCRRDVVONMCTSY-UHFFFAOYSA-N 462.527 5.567 50 10 JKGE CC(C)(C)N1C(=O)c2ccc(C(O)=C(C#N)c3nc(-c4cccc(Cl)c4)cs3)cc2C1=O 2331293929 TWFMEQHXYCPDPU-UHFFFAOYSA-N 463.946 5.808 50 10 JKGE CCCCCCCOc1ccc(-c2csc(C(C#N)=C(O)Cc3ccc(NC(C)=O)cc3)n2)cc1 2331344628 AXAFIFHMSAUQTD-UHFFFAOYSA-N 489.641 7.153 50 10 JKGE CC(C)CN1C(=O)c2ccc(C(O)=C(C#N)c3nc(-c4ccc(F)c(F)c4)cs3)cc2C1=O 2331351612 IUAUAAILCPEEJC-UHFFFAOYSA-N 465.481 5.290 50 10 JKGE COc1ccc(OC)c(C=CC(O)=C(C#N)c2nc(-c3ccc(Oc4ccccc4)cc3)cs2)c1 2331358903 CAGCGHHUVBKKNA-UHFFFAOYSA-N 482.561 7.126 50 10 JKGE COc1ccc(-c2csc(C(C#N)=C(O)COc3ccc(Cl)cc3Cl)n2)c2ccccc12 2331406488 RLLOREGCGRZMPW-UHFFFAOYSA-N 483.376 7.150 50 10 JKGE Cc1cc(Br)c([C@@H](Br)[C@H]2[C@H]3COCC[C@H]32)c(C)c1Br 2333709018 TXXHQQHUOIMZFQ-YJKIEOBBSA-N 453.012 5.547 50 10 JKGE Brc1ccc(OCc2ccccc2)c([C@H](Br)[C@H]2CC3(CCCC3)CO2)c1 2336056713 LCJGMUPWKMPFKR-RTWAWAEBSA-N 480.240 6.813 50 10 JKGE COC1CC2(C1)CC([C@H](Br)c1ccc(OCc3ccccc3)cc1Br)C2 2336058140 YDSQYZVBQSOWJB-RVYMYEGSSA-N 480.240 6.669 50 10 JKGE COc1ccc([C@H](Cl)c2cc(Br)ccc2OCc2ccccc2)cc1Br 2336082532 AUYWUIRORBCGQO-NRFANRHFSA-N 496.626 7.127 50 10 JKGE Fc1cccc(OCc2cc(Br)cc(Br)c2)c1CBr 2337070286 AYSKDSWKJXFINY-UHFFFAOYSA-N 452.943 5.825 50 10 JKGE CCc1ccc([C@H](Br)c2c(Cl)cc(Br)c(F)c2Br)o1 2337115318 ZNWJSPFJQFCJQJ-NSHDSACASA-N 475.377 6.644 50 10 JKGE Fc1ccccc1[C@H](Br)CCc1ccc(Cl)c(I)c1 2337218557 JWUKVCFDFUNVOX-GFCCVEGCSA-N 453.520 6.153 50 10 JKGE COc1cc([C@@H](Br)c2sccc2I)c(OC)cc1Cl 2338229694 CYVKMZOCLDJPQZ-GFCCVEGCSA-N 473.557 5.508 50 10 JKGE FC(F)(F)[C@]12C[C@]([C@@H](Br)c3cc(Br)sc3Br)(CO1)C2 2338512206 KIMOXAGFFZOYDP-HGNGGELXSA-N 484.957 5.821 50 10 JKGE CCCC[C@H](C)[C@@H](Br)c1c(C)cc(Br)c(OC)c1Br 2339650146 CDBWCHKDSACJGY-TVQRCGJNSA-N 457.044 6.791 50 10 JKGE COC1(C(F)F)CC([C@@H](Br)c2cc(Br)ccc2Br)C1 2343017926 VOGKZOYAIOUIFE-MXYBJEDBSA-N 462.954 5.708 50 10 JKGE Cl[C@H](CCc1ccc(I)c(Br)c1)CC1CCCCC1 2349832480 DCRRHEJSNKMYII-CQSZACIVSA-N 455.605 6.564 50 10 JKGE CC(C)C[C@@H](CBr)CN(C)Cc1c(Br)cccc1Br 2353831179 QKHCZQYJTRGNLE-LBPRGKRZSA-N 456.060 5.701 50 10 JKGE Fc1cc(Cl)c(Br)c(Cl)c1[C@@H](Br)c1cc(Cl)ccc1Cl 2360491994 IZNFMNFNDUHBOI-NSHDSACASA-N 481.801 7.686 50 10 JKGE Fc1c(Br)cc(Cl)c([C@@H](Br)[C@H]2C[C@@H]3O[C@H]2[C@H]2C[C@@H]32)c1Br 2362226859 XIRSGOMNPFKAMC-BVFFNITLSA-N 489.404 5.864 50 10 JKGE Fc1c(Br)cc(Cl)c([C@H](Br)C2C[C@@H]3CC[C@H](C2)O3)c1Br 2362236449 CKXGZZRGZFKTIJ-IPQYHECASA-N 491.420 6.398 50 10 JKGE Cc1cc(Br)c([C@@H](Br)[C@H]2COC3(CCC3)CO2)cc1Br 2364135924 QKGXUTOELLKUFC-ZIAGYGMSSA-N 469.011 5.294 50 10 JKGE COc1c(Br)cc(C)c([C@H](Br)CC2C[C@H]3C[C@@H]3C2)c1Br 2365191807 RJUUAHAJXXRBFV-SDDRHHMPSA-N 467.039 6.401 50 10 JKGE Cc1cc(Br)c(F)c(Br)c1[C@@H](Br)C1(C(C)(F)F)CCC1 2365193224 GJYHBUMJPXGUOZ-GFCCVEGCSA-N 478.972 6.921 50 10 JKGE Cc1cc(Br)c(F)c(Br)c1[C@H](Br)[C@H]1COC2(C)CC1C2 2365195492 BTMQAALSZOLYBN-AZHDKSCSSA-N 471.002 5.910 50 10 JKGE Cl[C@@H]1CCC[C@@H]2CN(Cc3ccc(I)c(Br)c3)CC[C@H]21 2377314032 FAGYEDJHNKSZIK-UMVBOHGHSA-N 468.604 5.283 50 10 JKGE CCc1ccc(OCC(=O)N/N=C(\C)c2ccc(-c3ccccc3)cc2)c(Br)c1 13977592 CDMKEXGJZXKFSE-YZSQISJMSA-N 451.364 5.598 50 10 JKGE CCCCCCOc1ccc(C(=O)NNC(=O)c2ccc(-c3ccccc3)cc2)cc1Br 14640656 JCICUYROOQXRKY-UHFFFAOYSA-N 495.417 6.150 50 10 JKGE CSc1cccc(N/C(SCc2cc(C)ccc2C)=C(/C#N)S(=O)(=O)c2ccccc2)c1 20325545 HERRRZOYVHBZCW-OCOZRVBESA-N 480.680 6.537 50 10 JKGE CCNC(=O)/C(C#N)=C/c1cn(-c2ccccc2)nc1-c1ccc(OCc2ccccc2F)cc1 33378967 MDIZRBIXBWCRLE-CJLVFECKSA-N 466.516 5.300 50 10 JKGE CCOC(=O)c1c(-c2ccc(C)cc2)csc1NC(=O)/C(C#N)=C\c1ccc(-c2ccccc2)o1 33928303 ZUYFBSBKDDQULF-QNGOZBTKSA-N 482.561 6.706 50 10 JKGE N#C/C(=C/c1ccc(OC(=O)c2ccc(Br)s2)cc1)c1nc2ccccc2[nH]1 35074794 NBBLYDLYKQYOPP-KAMYIIQDSA-N 450.317 5.670 50 10 JKGE COc1cc(/C=C(/C#N)c2nc(-c3ccc(C)cc3)cs2)ccc1OCC(=O)Nc1nccs1 35520006 IPQRRJTUIXCIOT-ODLFYWEKSA-N 488.594 5.665 50 10 JKGE CCCOc1ccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4ccc(OCC(C)C)cc4)ccc32)cc1 38650679 NFLXKSCYOJNFSX-MUUNZHRXSA-N 498.579 5.948 50 10 JKGE CCCCCOc1ccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4ccc(F)cc4)ccc32)cc1 38685293 BHITVCOUKPNOOK-AREMUKBSSA-N 472.516 5.832 50 10 JKGE Cc1ccc(Oc2nc3ccccn3c(=O)c2/C=C(/C#N)C(=O)Nc2cccc(Cl)c2)c(C)c1 39858854 QJLONPLXDCSPAL-AQTBWJFISA-N 470.916 5.303 50 10 JKGE Cc1ccc(Oc2nc3c(C)cccn3c(=O)c2/C=C(/C#N)C(=O)Nc2ccc(Cl)cc2)c(C)c1 39858867 NLVKERUEKUZWCZ-RGEXLXHISA-N 484.943 5.611 50 10 JKGE Nc1c(NNC(=O)C(c2ccccc2)c2ccccc2)ncnc1Nc1cccc(Cl)c1Cl 40778685 FXHMNRFQUGGYFA-UHFFFAOYSA-N 479.371 5.384 50 10 JKGE COc1ccc(NC(=O)c2oc3c(c2C)/C(=N/NC(=O)c2ccccc2Br)CCC3)cc1 40812928 JAVFUKPQCRNCRJ-ZXVVBBHZSA-N 496.361 5.082 50 10 JKGE Cc1ccc(NC(=O)c2oc3c(c2C)/C(=N/NC(=O)c2ccoc2C)CCC3)c(Br)c1 40823585 WGVXGRURNFHRFW-NLRVBDNBSA-N 484.350 5.283 50 10 JKGE CCCCCCOc1ccc(/C=C(\C#N)C(=O)Nc2cccc(C(=O)OCC)c2)cc1OC 40853163 BJPBYLCQDREBKB-RCCKNPSSSA-N 450.535 5.377 50 10 JKGE COc1cc(/C=C(\C#N)C(=O)NCc2ccccc2)ccc1OC(=O)COc1cccc(C(C)C)c1 40870097 GCLSFCOTYYGCLJ-ZVHZXABRSA-N 484.552 5.026 50 10 JKGE Cc1ccc(C)c(OCC(=O)N/N=C/c2cc(Br)ccc2OCc2ccccc2)c1C 40889011 HSOYZRKISOVRHQ-MZJWZYIUSA-N 481.390 5.482 50 10 JKGE CCCCc1ccc(-n2c(C)cc(/C=N/NC(=O)c3cc4cc(Br)ccc4o3)c2C)cc1 59304545 LTLPKSDJXKPRRM-LQKURTRISA-N 492.417 6.709 50 10 JKGE N#C/C(=C\c1ccc(OCc2cccc3ccccc23)c(Br)c1)C(=O)Nc1ccccc1 59432749 DSTFKRDNNNMHDB-PXLXIMEGSA-N 483.365 6.727 50 10 JKGE C[C@@H]1CCCC[C@@H]1NC(=O)[C@@H](c1ccccc1Cl)N(Cc1ccccc1Cl)C(=O)CCl 97914342 JRFUEJYPTUPSIH-XORNHQRDSA-N 481.851 5.997 50 10 JKGE CC[C@H](C)N1C(=O)C(C#N)=C(C)/C(=C\c2cn(-c3ccccc3)nc2-c2ccc(OC)c(C)c2)C1=O 101334201 VBQMWBDSWBETSA-WWJLXRQJSA-N 480.568 5.247 50 10 JKGE N#C/C(=C/c1cn(Cc2ccc([N+](=O)[O-])cc2)c2ccccc12)C(=O)Nc1nc2ccccc2s1 102443701 GGZVRFPWCNLYFX-AQTBWJFISA-N 479.521 5.753 50 10 JKGE Cc1ccc(-c2csc(/C(C#N)=C\Nc3ccc(S(=O)(=O)Nc4nccs4)cc3)n2)cc1 103700114 AJZFINKTLVBWKB-LGMDPLHJSA-N 479.612 5.352 50 10 JKGE CCCCCCCCC[C@H](Br)c1cc(Br)sc1Br 115065416 NTTAGJOCRCTCTO-LBPRGKRZSA-N 461.101 7.850 50 10 JKGE CCCC(CBr)(CBr)Cc1ccc(I)cc1 118127105 JIGGOGPKPNBMAS-UHFFFAOYSA-N 459.991 5.410 50 10 JKGE CCOc1ccc([C@H](Br)c2ccc(Br)cc2Cl)c(Br)c1 123729135 KYXVGPUKGITSEF-HNNXBMFYSA-N 483.425 6.748 50 10 JKGE COc1cc(C)c(Br)cc1[C@H](Br)c1ccc(C)cc1Br 161446055 MUNPNFNCKWREJE-MRXNPFEDSA-N 463.007 6.321 50 10 JKGE CCCCN1C(=O)C(C#N)=C(C)/C(=C/c2cn(-c3ccccc3)nc2-c2ccc(OCC)c(F)c2)C1=O 214225348 STUIKPOQKBGKIY-HAHDFKILSA-N 498.558 5.469 50 10 JKGE COc1cc(/C=C2\C(=O)N(CCc3ccccc3)C(=O)C(C#N)=C2C)ccc1OCc1ccc(C)cc1 214351277 GFTJKIPEUCFGRY-ONUIUJJFSA-N 492.575 5.418 50 10 JKGE COc1ccc([C@@H](Br)c2c(Cl)cccc2Cl)c(OC)c1Br 224849991 IDCBRXLEFDPGSF-CYBMUJFWSA-N 454.973 6.257 50 10 JKGE Clc1ccc(C[C@H](Br)c2cc(Br)cc3c2OCC3)cc1Cl 228444906 PSQLKBHEUCBMBM-ZDUSSCGKSA-N 450.985 6.370 50 10 JKGE Cc1sc([C@H](Br)c2cc(Cl)ccc2Br)cc1Br 235974190 XXOHAKPYJVKZRF-GFCCVEGCSA-N 459.428 6.719 50 10 JKGE CCCC[C@H](CC)CN(C(=O)CCl)[C@H](C(=O)N[C@H]1CCCC[C@H]1C)c1ccccc1Cl 252584946 FANIMXBJLZMKOI-OQZHBAMCSA-N 469.497 6.360 50 10 JKGE CC(=NNC(=O)c1ccc(Cl)cc1)c1cccc(NC(=O)COc2ccc(Cl)cc2)c1 252628303 SNEFEJRBYWPODE-UHFFFAOYSA-N 456.329 5.165 50 10 JKGE Cc1occc1C(=O)NN=Cc1cn(Cc2c(Cl)cccc2Cl)nc1-c1ccccc1 252639322 YJFXMXIAODAFKL-UHFFFAOYSA-N 453.329 5.571 50 10 JKGE O=C(NN=Cc1ccc(N2N=C(/C=C/c3ccccc3)C[C@H]2c2ccccc2)cc1)c1ccc(F)cc1 254380375 OCOSQSRNZUSUKT-JNDHZFLQSA-N 488.566 6.610 50 10 JKGE CCCCc1ccc(OCC(=O)NN=Cc2c(OC(=O)c3ccccc3)ccc3ccccc23)cc1 254514746 XJEMHNSLVVDRPM-UHFFFAOYSA-N 480.564 5.931 50 10 JKGE O=C(OCc1ccccc1)N1C[C@@H](CI)[C@H](c2ccc(F)cc2Cl)C1 382686164 FVXPEDWPTAPFQC-RHSMWYFYSA-N 473.713 5.266 50 10 JKGE O=C(OCc1ccccc1)N1C[C@H](CI)[C@H](c2ccc(F)c(Cl)c2)C1 382691111 IGJSNTBEDFXDBK-HOTGVXAUSA-N 473.713 5.266 50 10 JKGE C[C@H](Cl)c1nc2cc(I)ccc2n1[C@@H](C)COCc1ccccc1 390667116 UOHVVYVDDNKNRV-KBPBESRZSA-N 454.739 5.719 50 10 JKGE CC(C)(C)[Si](C)(C)OCCc1cccc([C@@H]2COCCN2S(=O)(=O)c2ccccc2)c1 616642315 HPTSFPVTPMTDSZ-QHCPKHFHSA-N 461.700 5.013 50 10 JKGE C[C@H](Cl)c1nc2ccc(F)c(Br)c2n1[C@@H]1C[C@H](C)N(Cc2ccccc2)C1 689798536 LWPIBDKNKIVSEL-OFQRWUPVSA-N 450.783 6.073 50 10 JKGE Cc1cc(Br)c([C@H](Br)[C@]2(C)CC[C@H](C)C2(C)C)cc1Br 698997039 OGSFUFCOLHSLRO-KCTSRDHCSA-N 467.083 7.418 50 10 JKGE C[C@H]1CCCN(C(=O)c2cc(Br)sc2Br)[C@H]1CCBr 700387551 KMBNCMRUKAUPGW-WPRPVWTQSA-N 474.056 5.299 50 10 JKGE COc1cc(C)c(Br)cc1[C@H](Br)c1ccsc1Br 705013810 XXNKAVQGAFDXLN-GFCCVEGCSA-N 455.009 6.074 50 10 JKGE O=C(NC1(CBr)CCCCCC1)c1ccc(I)c(Cl)c1 713490307 PAHWKWIMYBCJHJ-UHFFFAOYSA-N 470.576 5.162 50 10 JKGE O=C(CSCc1cccc(Cl)c1)NN=Cc1ccc(OCc2cccc(Cl)c2)cc1 1084097552 AQUSTXXAHMMVTJ-UHFFFAOYSA-N 459.398 5.956 50 10 JKGE CCc1ccc(NC(=O)/C(C#N)=C/c2cccc(OCc3ccc(Br)cc3)c2)cc1 1084349776 FQBQTSCSWRGLIY-KGENOOAVSA-N 461.359 6.136 50 10 JKGE COc1ccc(N2C(=O)[C@H](Cc3ccc(C)cc3)S/C2=C(\C#N)C(=O)N[C@H](C)c2ccccc2)cc1 1614653100 DRHOROZTFBNNQK-JPNRISNCSA-N 497.620 5.307 50 10 JKGE COc1cccc(C=NNC(=O)CSc2nc3ccccc3s2)c1OCc1cccc(C)c1 1772760316 BHEGKTGKMRLFQZ-UHFFFAOYSA-N 477.611 5.435 50 10 JKGE CC(C)c1ccc([C@@H]2C(C#N)=C(N)Oc3c2c(C(F)(F)F)nn3Cc2c(F)cccc2Cl)cc1 1865684901 BMJYBKAAEDTFAN-LJQANCHMSA-N 490.888 6.084 50 10 JKGE CCCOc1ccccc1[C@@H]1C(C#N)=C(N)Oc2c1c(-c1ccc(OC)cc1)nn2-c1ccccc1 1865702908 HZHJGHORBGXIEO-RUZDIDTESA-N 478.552 5.555 50 10 JKGE CCCc1nn(Cc2ccc(Cl)c(Cl)c2)c2c1[C@H](c1ccccc1OC(C)C)C(C#N)=C(N)O2 1865705488 WZAQBEBVBQPOEE-HSZRJFAPSA-N 497.426 6.196 50 10 JKGE COc1ccc(-c2nn(Cc3ccccc3Cl)c3c2[C@@H](c2ccccc2C)C(C#N)=C(N)O3)cc1 1865712992 NSUBLPXSESWRQU-DEOSSOPVSA-N 482.971 5.787 50 10 JKGE Cc1nc(-c2ccc(Cl)c(Cl)c2)ccc1C(=O)N/N=C\c1cccc(OCc2ccccc2)c1 1865762498 JQMOLSZJJUZUCH-UHBFCERESA-N 490.390 6.707 50 10 JKGE CCc1sc(NC(=O)/C(C#N)=C/c2ccccc2)c(C(=O)OC)c1-c1ccc(Br)cc1 1865911616 UGNMKYMHPXVDBY-GHRIWEEISA-N 495.398 6.072 50 10 JKGE N#C/C(=C\c1ccc(Br)cc1)C(=O)N1CCC(c2cccc(C(F)(F)F)c2)CC1 1866367629 FFSJIWWQGCXJGV-LDADJPATSA-N 463.297 5.781 50 10 JKGE CC(C)c1nc(Nc2ccc(SC#N)cc2)cc(N2CCN(C(=O)C3CCCCC3)CC2)n1 1868231365 DZMIPEBQOMWRAA-UHFFFAOYSA-N 464.639 5.146 50 10 JKGE COC(=O)c1ccc(Oc2c(C)oc3cc(OCc4cccc(CCl)c4)ccc3c2=O)cc1 1871436886 ALNZZEDPCDCOET-UHFFFAOYSA-N 464.901 5.998 50 10 JKGE CC[C@H](C)[C@H](/C(O)=C(\C#N)c1nc(-c2cc(C)ccc2C)cs1)N1C(=O)c2ccccc2C1=O 1872749680 CDVPCISNMMLCEQ-MQBSAJFPSA-N 471.582 5.931 50 10 JKGE CC[C@@H](C)[C@H](/C(O)=C(\C#N)c1nc(-c2cccc3ccccc23)cs1)N1C(=O)c2ccccc2C1=O 1872752111 NVXLYBGGRCTQJD-HFNQMJAOSA-N 493.588 6.467 50 10 JKGE CC[C@H](C)[C@H](/C(O)=C(\C#N)c1nc(-c2cccc3ccccc23)cs1)N1C(=O)c2ccccc2C1=O 1872752113 NVXLYBGGRCTQJD-LACGIFFPSA-N 493.588 6.467 50 10 JKGE CCOc1cc(/C(O)=C(\C#N)c2nc(-c3c(C)c(C)cc(C)c3C)cs2)cc(OCC)c1OCC 1872754121 DCSHKIOGZYTBBO-QLYXXIJNSA-N 492.641 7.190 50 10 JKGE COc1ccc(-c2csc(/C(C#N)=C(\O)c3ccc4c(c3)C(=O)N(CC(C)C)C4=O)n2)c(OC)c1 1872755499 QONGNKILTRWQLH-ATJXCDBQSA-N 489.553 5.029 50 10 JKGE COc1c(Cl)cc(-c2csc(/C(C#N)=C(\O)CCCOc3c(C)cccc3C)n2)cc1Cl 1872755865 KEIIQRDGRVMENA-FXBPSFAMSA-N 489.424 7.394 50 10 JKGE COc1cc(OC)c(OC)cc1/C=C(\C#N)c1nc(-c2cc(Cl)cc(C)c2OC)cs1 1872794041 HGVTVCYAKJTEIO-VIZOYTHASA-N 456.951 5.871 50 10 JKGE CCCCCOc1ccc(/C=C(\C#N)c2nc(-c3cc(Cl)ccc3Cl)cs2)cc1OCC 1872795032 JISZATMJZQZFLK-LDADJPATSA-N 487.452 8.149 50 10 JKGE CCCCCCOc1ccc(/C=N/NC(=O)[C@H](Cc2ccccc2)NC(=O)OC(C)(C)C)cc1OC 1873794837 CPFRTVNKEIFSPB-ZIVDADNMSA-N 497.636 5.240 50 10 JKGE Brc1cc(OCc2ccccc2)ccc1[C@H](Br)[C@H]1C[C@H]1Br 1886869365 IKKNHUUIJOJHOP-UAGQMJEPSA-N 475.018 6.248 50 10 JKGE COc1cc(C)c([C@@H](Br)c2ccc(OCc3ccccc3)cc2)cc1Br 1901671876 AHQONFUAHDRQLI-QFIPXVFZSA-N 476.208 6.829 50 10 JKGE O=C(c1csc(I)c1)N(Cc1ccccc1)[C@H](CBr)C1CC1 1915310327 AXRKNIILPVXVQQ-OAHLLOKOSA-N 490.204 5.169 50 10 JKGE CC(C)(CBr)N(Cc1ccccc1)S(=O)(=O)c1ccc(Br)cc1Cl 1915770367 BLQIUSSMWAZVNA-UHFFFAOYSA-N 495.664 5.467 50 10 JKGE Brc1ccc(CN2CC[C@@]3(CCC[C@H]3Br)C2)c(Br)c1 1918933832 JBTWXFWRHRIBJL-CABCVRRESA-N 452.028 5.351 50 10 JKGE Cn1cc(Br)c([C@@H](Cl)c2c(Br)sc(Br)c2Cl)n1 1923055539 VFOBOHSPGRNCID-YFKPBYRVSA-N 483.838 5.751 50 10 JKGE CC(=O)[C@H](Br)[C@@H](C)c1cc(Br)c(Br)c(Br)c1 1938597081 WIHNXUKXQDSEOX-XUOSJQGZSA-N 477.816 5.430 50 10 JKGE Clc1cc(Br)cc([C@H](Br)c2sc(Cl)cc2Br)c1 1948828356 JQAYURRRUFDJEF-JTQLQIEISA-N 479.846 7.064 50 10 JKGE Clc1cc([C@@H](Cl)c2c(Br)sc(Br)c2Cl)sc1Cl 1950177583 LCZYAGNGUVTSLU-RXMQYKEDSA-N 475.869 7.623 50 10 JKGE C[C@H](c1ccncc1Br)[C@@H](Br)c1cscc1OCc1ccccc1 1950316280 GWTFORIRDPDLCP-BFUOFWGJSA-N 467.226 6.724 50 10 JKGE BrCc1cc(Br)cc(Br)c1OCC1(Br)CC1 1980117485 LPKJIYCLVINHEL-UHFFFAOYSA-N 477.816 5.413 50 10 JKGE Fc1cc(Br)cc(F)c1[C@@H](Br)c1sc(Cl)cc1Br 2036939368 PYIHPNZTIOZMLQ-SNVBAGLBSA-N 481.381 6.689 50 10 JKGE Cc1sc([C@H](Br)c2nn(C)c(Br)c2C)c(C)c1Br 2049255153 GABYZACERVJQAJ-SECBINFHSA-N 457.029 5.416 50 10 JKGE Cc1cc(Br)c(CBr)c(N(Cc2ccccc2)C2CCN(C)CC2)c1 2053211859 ILTPLIRQMSNDSE-UHFFFAOYSA-N 466.261 5.753 50 10 JKGE Cc1cc2sc([C@H](Cl)c3c(Br)sc(Br)c3Cl)cc2s1 2100323513 VWUQQWPLJZQSCE-VIFPVBQESA-N 477.095 7.839 50 10 JKGE Cc1c(Cl)cc([C@H](Cl)c2cc(Br)ccc2Br)cc1Br 2111096246 CZNWEXNBGUDRLW-AWEZNQCLSA-N 487.844 7.264 50 10 JKGE Cn1ncc(Cl)c1COc1c(Br)cc(CBr)cc1Br 2111949927 YAMJIOWERAPLQX-UHFFFAOYSA-N 473.390 5.072 50 10 JKGE CN(Cc1cscc1Br)c1cc(Br)cc(F)c1CBr 2114267032 BHBCIOFINSMXIS-UHFFFAOYSA-N 472.015 5.944 50 10 JKGE CCCCCCC[C@H](Br)c1c(C)c(Br)cc(C)c1Br 2136378827 GCYYGMJZUZQIRH-ZDUSSCGKSA-N 455.072 7.625 50 10 JKGE Cc1c(Br)ccc([C@@H](Br)[C@H]2[C@H]3CCCCC[C@H]32)c1Br 2138870518 JJVNNWNZCWMVLG-YHYOWMERSA-N 451.040 6.782 50 10 JKGE Clc1cc(CN2CC[C@@]3(CCC[C@H]3Br)C2)ccc1I 2142951301 ZAUZELBEAURECM-CABCVRRESA-N 454.577 5.084 50 10 JKGE CCOc1ccc(Br)cc1[C@H](Cl)Cc1ccccc1I 2143868669 QLRMLWWOHVIARN-CQSZACIVSA-N 465.556 5.975 50 10 JKGE BrCc1ccc(N2CCc3cccc(Br)c3C2)cc1Br 2149905397 GGTJUFCCXSCBFH-UHFFFAOYSA-N 460.007 5.669 50 10 JKGE O=C(Nc1cccc(CCCBr)c1)c1csc(Br)c1Br 2150345042 YQRHEEOCVQSCCQ-UHFFFAOYSA-N 482.035 5.853 50 10 JKGE ClCc1nc2cc(Br)c(Cl)cc2n1CCCOCCOCc1ccccc1 2159869578 AWRSYZYLSMCXJJ-UHFFFAOYSA-N 472.210 5.815 50 10 JKGE Cc1c(Cl)cc([C@@H](Br)[C@@H](C)c2ccncc2Br)cc1Br 2167377371 OPFKNRVPQJADHD-AYVTZFPOSA-N 482.441 6.808 50 10 JKGE CC[C@@H](Br)[C@H]1CCCCN1C(=O)c1ccc(Br)cc1Br 2170612383 ICKMKMSROHLPKF-TZMCWYRMSA-N 468.027 5.380 50 10 JKGE Fc1ccc(C[C@H](CBr)Cc2cc(Br)ccc2Br)cc1 2175146104 APUKHVLGZRPXGN-LBPRGKRZSA-N 464.998 6.147 50 10 JKGE Cc1ccccc1C(CBr)(CBr)Cc1cc(Cl)sc1Cl 2195407365 LUIPZYREDVWHFQ-UHFFFAOYSA-N 457.058 6.634 50 10 JKGE COc1c(Br)cc(C)cc1[C@@H](Cl)c1cc(Br)ccc1Br 2203815388 UUPGSUWVSSRLOQ-AWEZNQCLSA-N 483.425 6.619 50 10 JKGE COc1cc(F)c(Cl)cc1[C@@H](Br)c1cc(Cl)ccc1I 2207361255 GVMFZOYVNLRRIJ-AWEZNQCLSA-N 489.937 6.230 50 10 JKGE Cc1ccc(C(=O)N(Cc2ccccc2)C(C)(C)CBr)cc1I 2210201433 QXJFGDWQNMHABU-UHFFFAOYSA-N 486.191 5.416 50 10 JKGE Cc1cc([C@H](Br)c2cc(Br)c(Cl)s2)cc(C)c1Br 2220199797 HKFLEQBCGDDZNQ-LBPRGKRZSA-N 473.455 7.028 50 10 JKGE C[C@H](C1CCCCC1)[C@@H](Br)c1cc(Br)c(Br)cc1F 2225620139 QZMRSPYNKUYFSV-RFAUZJTJSA-N 457.019 7.003 50 10 JKGE Cc1cccc(Br)c1[C@H](Cl)c1cc(Br)c(Br)cc1F 2225635529 VQGMYDLCNYUNEP-CQSZACIVSA-N 471.389 6.750 50 10 JKGE Cc1cc(Br)c([C@H](Cl)c2nn(C)nc2Br)c(C)c1Br 2227362538 OKBFHHBAZVALJH-JTQLQIEISA-N 472.406 5.048 50 10 JKGE Cc1cc(Br)c([C@@H](Br)c2cccc(Br)c2C)c(C)c1Cl 2232526862 AKGDYAIGADKVBG-HNNXBMFYSA-N 481.453 7.275 50 10 JKGE Cc1cc(Br)cc([C@H](Br)c2c(Br)cc(C)c(Cl)c2C)c1 2232530312 QMRLSDODKMRHLP-HNNXBMFYSA-N 481.453 7.275 50 10 JKGE C[C@H](Cl)c1nc2c(F)cc(Br)cc2n1C[C@@H]1CCN(Cc2ccccc2)C1 2232915806 IFEZNWLZROEKFJ-GOEBONIOSA-N 450.783 5.760 50 10 JKGE CC(C)(C)O[C@H]1C[C@@H]([C@@H](Br)c2cc(Br)c(Br)cc2F)C1 2233981055 CTDLAEPXJJELPN-TVLCNXBWSA-N 473.018 6.380 50 10 JKGE Cc1cc(Br)c([C@H](Br)[C@@H]2[C@@H]3CCC(F)(F)[C@H]32)c(C)c1Br 2235602453 DLLMFTAOTAQTGU-MBGOOHRESA-N 472.993 6.556 50 10 JKGE CC(C)(C)OC(=O)N1CCC[C@](CI)(OCc2ccc(C(F)(F)F)cc2)C1 2239618033 LXYHPBJHCPIDSF-GOSISDBHSA-N 499.311 5.427 50 10 JKGE Cc1ccc([C@H](Br)c2ccc([C@@H]3CCOC3)s2)cc1I 2240443136 BMMMWFQSNVKDQN-WBMJQRKESA-N 463.178 5.649 50 10 JKGE Cn1nc(Br)c([C@H](Br)c2cc3sc(Br)cc3s2)n1 2263622979 LFXAPHAFUQRRKN-MRVPVSSYSA-N 472.025 5.101 50 10 JKGE Fc1cc(Br)c(F)c(Br)c1[C@H](Br)C[C@@]12CCC[C@@H]1C2 2272839146 DOWNEMCIYMWVPB-XOHTZPTOSA-N 458.966 6.506 50 10 JKGE FC[C@@]12CC[C@@]([C@@H](Cl)c3c(Br)sc(Br)c3Br)(CO1)C2 2274683566 CWNCUVTYSGAVMF-UWJYBYFXSA-N 497.449 6.224 50 10 JKGE CCc1cc(Br)c([C@@H](Cl)Cc2cc(Br)cc(Br)c2)s1 2277890322 UGKKXCMVHIMMBV-ZDUSSCGKSA-N 487.482 7.121 50 10 JKGE CC[C@@H](C[C@H](Br)Cc1cc(Br)cc(Br)c1)C(C)(C)C 2277950344 VAYAPACQBZBHNQ-QWHCGFSZSA-N 455.072 6.980 50 10 JKGE Cc1c(F)cccc1[C@@H](Br)Cc1cc(Br)cc(Br)c1 2277959199 PPGWUIJSKDXMRD-AWEZNQCLSA-N 450.971 6.338 50 10 JKGE O=C(N[C@@H](CBr)CC1CCCC1)c1ccc(Cl)c(I)c1 2283662305 QJDXCGCTBQDIAQ-GFCCVEGCSA-N 470.576 5.018 50 10 JKGE CC12CC([C@H](Br)c3c(F)cc(Br)c(F)c3Br)(CCO1)C2 2288479805 APHYTDBMEMGPNU-IYXRBSQSSA-N 474.965 5.885 50 10 JKGE FC1(F)CCC[C@@H]([C@H](Br)Cc2cc(Br)cc(Br)c2)CC1 2295329962 OXNJJHAKVBTJGW-BXUZGUMPSA-N 475.009 6.733 50 10 JKGE Brc1cc(Br)cc(C[C@H](Br)[C@@]23CCCC[C@H]2OCC3)c1 2295342870 QIZLPSHSXGQINV-XHSDSOJGSA-N 467.039 5.867 50 10 JKGE Cl[C@@H](c1c(Br)sc(Br)c1Br)[C@@H]1C[C@H]2CC[C@@H]1C2 2298606979 JMQHOTGRXQDVRH-MPXCPUAZSA-N 463.460 6.752 50 10 JKGE COC1([C@@H](Br)c2cc(Br)ccc2OCc2ccccc2)CC(C)C1 2299527166 FFVLZNBWKLFIGG-JEFDNNSCSA-N 454.202 6.279 50 10 JKGE O=C(N[C@H](CCBr)COCc1ccccc1)c1cccc(Cl)c1Br 2303545357 QCUBYPLNHCJQBV-CQSZACIVSA-N 475.608 5.203 50 10 JKGE CCOc1cc(C=C(C#N)C(=O)Nc2cccc(Cl)c2Cl)cc(Cl)c1OCC#N 2313571574 ZJMZIZSQJGXONX-UHFFFAOYSA-N 450.709 5.494 50 10 JKGE Fc1c(Br)cc(Cl)c([C@H](Br)[C@@]23CCC[C@@H]2C3)c1Br 2315439726 IPRJKNUQZYMANS-UAMTVZLOSA-N 461.394 6.630 50 10 JKGE FC1(F)C[C@@H]([C@H](Br)c2sc(Cl)cc2I)C12CCC2 2316600131 AZSZBNQZPZAGEI-RCOVLWMOSA-N 467.544 6.268 50 10 JKGE COC1CC2(C1)CC([C@H](Br)c1sc(Cl)cc1I)C2 2316600258 CLVANOZZOQFXSG-HRQJNHKQSA-N 461.590 5.647 50 10 JKGE C[C@@H]1C[C@H]2C[C@]([C@H](Br)c3ccc(OCc4ccccc4)cc3Br)(C2)O1 2319804495 XKWBIYXQIIZUGH-XQJRBRMLSA-N 466.213 6.422 50 10 JKGE COc1cc(C=NNC(=O)c2cccc([N+](=O)[O-])c2)ccc1OCc1ccc(Cl)cc1Cl 2321680371 YWYOHFNZBYAHDY-UHFFFAOYSA-N 474.300 5.253 50 10 JKGE CCCCCCCCCOc1ccc(C=NNC(=O)c2cccn(CC)c2=O)cc1OCC 2323626526 CLKVGQLRRNAGRN-UHFFFAOYSA-N 455.599 5.160 50 10 JKGE CCCCOC[C@@H](Br)CCc1ccc(I)c(Br)c1 2325221075 DLUOXMRKRIFZNE-LBPRGKRZSA-N 490.017 5.567 50 10 JKGE CCn1c(C(C#N)=Cc2cccc(OC)c2OCc2c(Cl)cccc2Cl)nc2ccccc21 2331071904 ZRYIGOAWZLBTDD-UHFFFAOYSA-N 478.379 7.015 50 10 JKGE N#CC(=C(O)CN1C(=O)COc2ccc(Cl)cc21)c1nc(-c2ccc(-c3ccccc3)cc2)cs1 2331232812 YPFSPGRNVPWKMZ-UHFFFAOYSA-N 499.979 6.349 50 10 JKGE N#CC(=C(O)C(=Cc1ccccc1)c1ccccc1)c1nc(-c2ccc3ccccc3c2)cs1 2331237774 CNTHBURHPQBPMJ-UHFFFAOYSA-N 456.570 7.997 50 10 JKGE C[C@H](c1ccccc1)N1C[C@@H](C(O)=C(C#N)c2nc(-c3ccc4ccccc4c3)cs2)CC1=O 2331237967 XQXCVIUODPNULK-JPYJTQIMSA-N 465.578 6.366 50 10 JKGE N#CC(=C(O)c1cc(C(F)(F)F)cc(C(F)(F)F)c1)c1nc(-c2ccc3c(c2)CCCC3)cs1 2331239943 WYIJSBRZNJJMBG-UHFFFAOYSA-N 494.460 7.676 50 10 JKGE CCOc1cc(C(O)=C(C#N)c2nc(-c3ccc(OC)c(OC)c3)cs2)cc(OCC)c1OCC 2331242248 HVRWDGWZTWPKJH-UHFFFAOYSA-N 496.585 5.973 50 10 JKGE Cc1cc(C)c(C)c(-c2csc(C(C#N)=C(O)C=Cc3ccc(Cl)c(Cl)c3)n2)c1C 2331364426 CKIDIGJEDOHTMS-UHFFFAOYSA-N 455.410 7.857 50 10 JKGE CCOc1cc(C=C(C#N)c2nc(-c3cccc(OC)c3)cs2)ccc1OCc1ccccc1C 2331421256 BZCCNWQISUNRSK-UHFFFAOYSA-N 482.605 7.169 50 10 JKGE COc1cc(C=C(C#N)c2nc(-c3ccc(Cl)cc3)cs2)ccc1OCCc1ccccc1 2331440114 DGZGSYSOSAUWLC-UHFFFAOYSA-N 472.997 7.158 50 10 JKGE CCOc1cc(C=C(C#N)c2nc(-c3ccc4c(c3)OCO4)cs2)ccc1OCc1ccc(C)cc1 2331453746 FEPCHLYGDVEQPY-UHFFFAOYSA-N 496.588 6.889 50 10 JKGE CCC(=C(c1ccccc1)c1ccc(OCCN(C)CCSS(C)(=O)=O)cc1)c1ccccc1 2333176179 ZYKOLRQKLGUPAC-UHFFFAOYSA-N 495.710 6.059 50 10 JKGE CCCN[C@@H](c1c(Br)cc(C)c(Br)c1C)[C@@H]1C[C@@H]1Br 2333708171 CQEHDFHKCOHYJU-JRPNMDOOSA-N 454.044 5.653 50 10 JKGE CCCc1sc(Br)cc1[C@H](Br)c1ccc(Br)c(F)c1 2338021636 RINIQDGBJOWVJV-CQSZACIVSA-N 471.027 6.849 50 10 JKGE COc1cc([C@H](Br)c2sccc2I)c(OC)cc1Cl 2338229695 CYVKMZOCLDJPQZ-LBPRGKRZSA-N 473.557 5.508 50 10 JKGE Cn1nc(Br)c(Br)c1[C@H](Br)c1cc(Cl)c(F)cc1Cl 2338866956 IKUCLEHDQUATTE-MRVPVSSYSA-N 495.799 5.875 50 10 JKGE Cc1csc([C@H](Br)c2c(C)cc(Br)c(F)c2Br)c1C 2339683183 AOQWDVHCWKQPDJ-GFCCVEGCSA-N 471.027 6.822 50 10 JKGE Clc1cccc([C@H](Br)CCc2cc(I)ccc2Cl)c1 2352416750 ZAPRVLUNSLGOLF-CQSZACIVSA-N 469.975 6.667 50 10 JKGE Fc1c(Br)cc(Cl)c([C@H](Cl)C[C@H]2C[C@@H]2C(F)(F)F)c1Br 2362222421 IGKVUISRDUMNQT-JCGDXUMPSA-N 458.902 6.873 50 10 JKGE Cn1nc(Br)c(Br)c1[C@@H](Cl)c1csc2c(Br)cccc12 2364063603 KJOZAVNLUPDNSL-JTQLQIEISA-N 499.453 6.251 50 10 JKGE COCc1csc([C@@H](Br)c2c(C)cc(Br)c(F)c2Br)c1 2365217613 GKPXXRRVUQLQIQ-GFCCVEGCSA-N 487.026 6.351 50 10 JKGE Cc1scc([C@H](Br)c2cc3c(cc2Br)OCCC3)c1Br 2369620861 HVKHHVFLCHASKI-OAHLLOKOSA-N 481.047 6.391 50 10 JKGE CCc1cc(Br)c(OC)c([C@@H](Br)c2ccccc2OCc2ccccc2)c1 2381249128 DUCSBXYZZXMVNB-QFIPXVFZSA-N 490.235 7.083 50 10 JKGE CC(C)(C)OC(=O)Nc1nc2cc(NC(=O)N3CCC(Br)CC3)ccc2s1 2382200866 ALNMGTSWZBSEQS-UHFFFAOYSA-N 455.378 5.035 50 10 JKGE COc1ccc(C(=O)Oc2ccc(/C=C(/C#N)C(=O)Nc3ccc([N+](=O)[O-])cc3Cl)cc2)cc1 6924853 XMVVKPNXEIIICH-ATVHPVEESA-N 477.860 5.022 50 10 JKGE N#C/C(=C/c1ccc(N2N=C(c3ccccc3)C[C@@H]2c2ccccc2)cc1)S(=O)(=O)c1ccccc1 29492351 JVAWBGIHMYVMIW-UXCHMGEPSA-N 489.600 6.381 50 10 JKGE CCOC(=O)c1c(NC(=O)/C(C#N)=C\c2ccc(-c3ccc([N+](=O)[O-])cc3)o2)sc2c1CCCC2 33733952 YVLSQUXVRILGPI-SSZFMOIBSA-N 491.525 5.517 50 10 JKGE CCc1ccc(O[C@H](C)C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@H]3c2ccccc2Cl)cc1 38651088 MNOGKJHJQGDRNY-CPJLOUKISA-N 474.944 5.493 50 10 JKGE CCOc1ccccc1[C@@H]1C(C#N)=C(N)Oc2cc(OC(=O)c3oc4ccccc4c3C)ccc21 38687438 FMJNCDYDKAYNCN-VWLOTQADSA-N 466.493 5.577 50 10 JKGE Cc1c(Cl)cccc1NC(=O)c1oc2c(c1C)/C(=N/NC(=O)c1cccc([N+](=O)[O-])c1)CCC2 40813010 BLGLLJZRUZUWEC-ZXVVBBHZSA-N 480.908 5.181 50 10 JKGE CCc1ccc(OC(=O)c2oc3c(c2C)/C(=N/NC(=O)Cc2coc4c(C)c(C)ccc24)CCC3)cc1 40826795 RCERAJCGWUMFBI-QFMPWRQOSA-N 498.579 6.132 50 10 JKGE COc1cc(/C=C(\C#N)c2ccc(Cl)cc2)ccc1OC(=O)c1ccccc1CCc1ccccc1 40851037 UYTWWTWORDBXOU-LGUFXXKBSA-N 493.990 7.417 50 10 JKGE Cc1cccc(COc2ccc(/C=N/NC(=O)CSc3nc(-c4ccccc4)cs3)cc2)c1 40924645 POZDUGWGYNIDPO-JFLMPSFJSA-N 473.623 5.940 50 10 JKGE Cc1ccc(COc2ccc(/C=C(/C#N)C(=O)Nc3ccc(C)cc3)cc2Br)cc1 59335206 IWBGGIWHUFONMN-BKUYFWCQSA-N 461.359 6.191 50 10 JKGE CC(C)[C@@H](CBr)COc1c(I)cc(Cl)c2cccnc12 96871140 USOYRBFWFNADQQ-JTQLQIEISA-N 468.560 5.539 50 10 JKGE CC(C)(C)[C@H](CBr)COc1c(Br)cc([N+](=O)[O-])cc1Br 96871369 QFOQCPFYRAQJHO-MRVPVSSYSA-N 473.987 5.556 50 10 JKGE Cc1ccc(-c2csc(/C(C#N)=C(\O)c3ccc(-c4cccc(C(F)(F)F)c4)o3)n2)cc1 100989935 BEGVGSFQSHSMME-PYCFMQQDSA-N 452.457 7.347 50 10 JKGE Fc1ccc(C[C@H](Br)c2cc(Br)ccc2Br)cc1F 122880014 FEHUBCSFKFQPBS-LBPRGKRZSA-N 454.934 6.169 50 10 JKGE COc1cc(C)c(Br)cc1[C@@H](Br)c1ccc(C)c(Br)c1 130483250 ORZCDIPDJMLUGR-INIZCTEOSA-N 463.007 6.321 50 10 JKGE O=S(=O)(c1c(Cl)cc(Br)cc1Cl)N1CCC[C@H]1CCCBr 147731672 URYBEFSQOBEIDF-SNVBAGLBSA-N 480.049 5.084 50 10 JKGE Cc1cccc([C@H](Br)c2cc(Br)sc2Br)c1Cl 163005236 SEQINVWKFSSLLQ-JTQLQIEISA-N 459.428 6.719 50 10 JKGE COc1cc(CBr)cc(Cl)c1OCc1ccc(Br)cc1Cl 168179700 KGRKIEWRNCYTPT-UHFFFAOYSA-N 454.973 6.238 50 10 JKGE CCCCOc1ccc(/C=C/C(=O)Oc2ccc(/C=C(/C#N)C(=O)OCC)cc2OC)cc1OCC 207294575 MXRARQUDCIWADK-CEFCJMCMSA-N 493.556 5.362 50 10 JKGE Cc1cc(OC(=O)OC(C)(C)C)ccc1O[C@@H](CCI)c1ccccc1 208207509 RHARZRBRSPUSSZ-IBGZPJMESA-N 468.331 6.254 50 10 JKGE CC(C)C1=CC(C(C)C)=C(c2ccccc2)[C@@](C(C)C)(P(c2ccccc2)c2ccccc2)C1 222893228 HHVLGGWSQSFZGX-MGBGTMOVSA-N 466.649 8.610 50 10 JKGE CCOc1ccc([C@H](Cl)c2cccc(I)c2)cc1Br 228989276 YAJWMXOKGJHXCF-OAHLLOKOSA-N 451.529 5.781 50 10 JKGE CCC(CC)[C@@H](Br)CNC(=O)c1cc(Br)sc1Br 230660983 KYPLHJNWRNEHTL-VIFPVBQESA-N 462.045 5.203 50 10 JKGE Brc1cc2c(c([C@@H](Br)c3csc(Br)c3)c1)OCC2 232483795 FZXUPGDYOWXDPU-LBPRGKRZSA-N 452.993 5.692 50 10 JKGE Brc1cc([C@H](Br)[C@@H]2CC[C@H]3CCCC[C@H]3C2)c(Br)s1 250746134 MKPNOCUQRWMYKX-FBKDDSFISA-N 471.096 7.316 50 10 JKGE Clc1cc([C@H](Br)c2cc(I)cc3c2OCC3)c(Cl)s1 305969526 BJNQKRXPFQQDTL-LLVKDONJSA-N 489.987 6.079 50 10 JKGE FC(F)(F)c1csc([C@@H](Br)c2sccc2Br)c1Br 310691254 RPHCSMBNAAEMRI-ZETCQYMHSA-N 484.982 6.838 50 10 JKGE Cc1cc(C)c([C@H](Br)c2ccc(OCc3ccccc3)cc2)c(C)c1Br 382502330 LLIVSXYHILMLLQ-HSZRJFAPSA-N 474.236 7.438 50 10 JKGE Cc1ccc(Br)cc1[C@@H]1CN(C(=O)OCc2ccccc2)C[C@H]1CBr 382708610 GFCMLKHYGRCEAC-VQIMIIECSA-N 467.201 5.505 50 10 JKGE C[C@H]1CN(Cc2ccccc2)C[C@H]1n1c(CCCl)nc2cc(I)c(F)cc21 389874385 SEHRQXSLPZAYAF-VBKZILBWSA-N 497.783 5.254 50 10 JKGE CC(C)(COCc1ccccc1)n1c(CCCl)nc2cc(I)ccc21 389962572 POXCJPXAJDTPHK-UHFFFAOYSA-N 468.766 5.374 50 10 JKGE CC1(C)C[C@H](Br)CCN(Cc2cc(Cl)ccc2I)C1 405287903 FQMHGCGTCHEHKL-GFCCVEGCSA-N 456.593 5.330 50 10 JKGE COC1(CC(CBr)(CBr)c2cccc(Br)c2)CCCC1 692478842 LORRBSZHKGJZDT-UHFFFAOYSA-N 469.055 5.826 50 10 JKGE COCCOc1ccc([C@H](Br)c2ncsc2Br)cc1Br 698682041 NKKJUVSFOIODIO-NSHDSACASA-N 486.023 5.178 50 10 JKGE CO[C@](C)(COCc1ccccc1)Cn1c([C@H](C)Cl)nc2cc(Br)ccc21 702783996 LTTRQJAQALZZBL-BTYIYWSLSA-N 451.792 5.721 50 10 JKGE Cc1ccc(-n2c(C)c(Br)c(C=NNC(=O)COc3ccccc3C)c2C)c(C)c1 725428710 WIGDOGJJWBRWTD-UHFFFAOYSA-N 468.395 5.311 50 10 JKGE Cc1cc(/C=C(/C#N)C(=O)N2CCN(c3ccccc3)CC2)c(C)n1-c1ccc(Br)cc1 1083877715 MHNXTRYJSVYKNU-XLNRJJMWSA-N 489.417 5.112 50 10 JKGE CCOc1cc(C=NNC(=O)CCc2ccccc2)ccc1OCc1cccc2ccccc12 1084011882 AQNCRIQDOFBMIR-UHFFFAOYSA-N 452.554 5.900 50 10 JKGE O=C(CC[C@@H](O)c1ccccc1)NN=Cc1cc(Br)ccc1OCc1ccccc1F 1084016027 MLWNHTLNZXXBSY-JOCHJYFZSA-N 485.353 5.131 50 10 JKGE Cc1ccc(C=NNC(=O)CSc2c(Cl)c(Cl)c(Cl)c(Cl)c2Cl)cc1 1084042883 ILIZAFNJXJGKIL-UHFFFAOYSA-N 456.609 6.504 50 10 JKGE Cc1cc(C=NNC(=O)[C@@H](C)Sc2ccc(Cl)cc2)c(C)n1-c1ccc(Cl)cc1Cl 1084177891 ODSOBWYLCIWBMX-OAHLLOKOSA-N 480.848 6.685 50 10 JKGE O=C(NN=Cc1ccc(OCc2ccc(Cl)cc2)cc1)c1cc(Br)ccc1O 1084207026 LVNCCLFYEDZBQI-UHFFFAOYSA-N 459.727 5.151 50 10 JKGE COc1ccc(C=NNC(=O)c2cc3ccccc3cc2O)cc1COc1ccc(Cl)cc1Cl 1084289409 IYBPMQZMFQIQJN-UHFFFAOYSA-N 495.362 6.204 50 10 JKGE O=C(NN=Cc1cc(Br)c(Sc2ccc(Cl)cc2)o1)c1ccc(Cl)cc1 1084385170 DBFVIDDFZCNKBO-UHFFFAOYSA-N 470.175 6.264 50 10 JKGE N#C/C(=C\c1ccc(-c2cc([N+](=O)[O-])ccc2Cl)o1)C(=O)Nc1cccc(Cl)c1Cl 1084513405 GXIUCPFPBOEALA-DHZHZOJOSA-N 462.676 6.361 50 10 JKGE COc1cc(/C=C(\C#N)C(=O)Nc2cccc(Cl)c2Cl)ccc1OCc1cccc(F)c1 1084566552 HTHGNJRKIUKVSL-LICLKQGHSA-N 471.315 6.266 50 10 JKGE CC[C@@H](Oc1ccc2ccccc2c1Br)C(=O)NN=Cc1ccc(Cl)c([N+](=O)[O-])c1 1084586941 LDJZYBYUFBEDLL-GOSISDBHSA-N 490.741 5.472 50 10 JKGE Clc1nc2ccccc2cc1[C@H]1CN(Cc2ccccc2)C[C@H]1CI 1614690407 DWSXYZFZDVCXBP-MJGOQNOKSA-N 462.762 5.539 50 10 JKGE Cc1ccc(C(C)C)c(OC(=O)c2oc3c(c2C)C(=NNC(=O)c2ccc(Cl)cc2)CCC3)c1 1772744126 UIXSSTKSHATZGG-UHFFFAOYSA-N 478.976 6.363 50 10 JKGE Cc1c(C(=O)Oc2ccccc2)oc2c1C(=NNC(=O)COc1ccc(Cl)cc1Cl)CCC2 1772748475 AEJXEOFSISNZRZ-UHFFFAOYSA-N 487.339 5.350 50 10 JKGE CCOc1ccc(C=NNC(=O)COc2ccc(Br)cc2C(C)(C)C)cc1OCC 1772754258 RHQJHQHNKKXXQL-UHFFFAOYSA-N 477.399 5.073 50 10 JKGE N#CC1=C(N)Oc2c(c(-c3ccccc3)nn2Cc2ccccc2)[C@H]1c1c(F)cccc1Cl 1865682179 IAIBUFDYFGWIMR-OAQYLSRUSA-N 456.908 5.609 50 10 JKGE CCCOc1c(OC)cccc1[C@@H]1C(C#N)=C(N)Oc2c1c(CC)nn2Cc1cccc(Cl)c1 1865693418 OEFWEJDCGZOMDM-JOCHJYFZSA-N 478.980 5.163 50 10 JKGE CCOc1c(OC)cccc1[C@H]1C(C#N)=C(N)Oc2c1c(-c1ccccc1)nn2Cc1ccc(F)cc1 1865694426 YCLRVKIOEWGBRF-DEOSSOPVSA-N 496.542 5.363 50 10 JKGE COc1cccc([C@H]2C(C#N)=C(N)Oc3c2c(-c2ccccc2)nn3-c2ccccc2Cl)c1OC 1865701365 UBMGJRBSEMVLHM-QFIPXVFZSA-N 484.943 5.428 50 10 JKGE COc1cccc([C@H]2C(C#N)=C(N)Oc3c2c(-c2ccccc2)nn3-c2ccccc2Cl)c1 1865711557 BITAAPXTYRWHJQ-QFIPXVFZSA-N 454.917 5.419 50 10 JKGE COc1cccc(/C=C2\Oc3c(ccc(OCc4cccc(CCl)c4)c3C)C2=O)c1OC 1871437465 ZGHZSXRNHYWKQB-QRVIBDJDSA-N 450.918 5.946 50 10 JKGE COc1ccc(OC)c(-c2csc(/C(C#N)=C/c3ccc(OCc4ccc(Cl)cc4)cc3)n2)c1 1872791730 QKCMIHFKEUDDHI-DEDYPNTBSA-N 488.996 7.124 50 10 JKGE Cc1ccc(OC/C(O)=C(\C#N)c2nc(-c3ccc4ccccc4c3)cs2)c(C(C)(C)C)c1 1873940825 JOISVKFEERMULZ-LVWGJNHUSA-N 454.595 7.441 50 10 JKGE C[C@H](CBr)N(Cc1ccccc1)Cc1cc(Cl)ccc1I 1914336706 GOKWREVUVJIGAL-CYBMUJFWSA-N 478.599 5.730 50 10 JKGE Cc1cc(S(=O)(=O)N(Cc2ccccc2)[C@@H](CBr)C2CC2)sc1Br 1915170271 QBERPGDQGISIIV-HNNXBMFYSA-N 493.286 5.183 50 10 JKGE Cc1cc(Br)c(C(=O)N(Cc2ccccc2)[C@@H](CBr)C2CC2)cc1Cl 1915263042 DXFIMRRNJOWMOO-IBGZPJMESA-N 485.647 6.227 50 10 JKGE COc1cc(Br)ccc1C(=O)N(Cc1ccccc1)[C@H](CBr)C1CC1 1915265080 NUADWWUWNFVBBU-GOSISDBHSA-N 467.201 5.274 50 10 JKGE Cc1ccc(Br)c(C(=O)N(Cc2ccccc2)[C@H](CBr)C(C)C)c1 1915298513 UNRBEYVDUAZTPH-LJQANCHMSA-N 453.218 5.819 50 10 JKGE Clc1c(Br)sc(Br)c1[C@@H](Cl)c1ccc2c(c1)CCCC2 1923055564 VOHJNABGLYDZNT-LBPRGKRZSA-N 455.042 7.134 50 10 JKGE C[C@H](C1CCCCC1)[C@H](Br)c1c(Br)sc(Br)c1Cl 1923910227 VCRNTEJVUGHSFX-XCBNKYQSSA-N 479.503 7.579 50 10 JKGE C[C@H](c1ccncc1Br)[C@@H](Br)c1cccc(F)c1Br 1924037713 BITFERLOWULKJC-AMIZOPFISA-N 451.959 5.985 50 10 JKGE C[C@H](c1ccncc1Br)[C@H](Cl)c1ccc(I)c(Cl)c1 1924043522 MPDVVLFLOZKXCC-CLAHSXSESA-N 470.963 6.186 50 10 JKGE Cc1ccccc1[C@@H](Cl)c1c(Br)sc(Br)c1Br 1924580360 QYRDRSMJCYHDII-SNVBAGLBSA-N 459.428 6.672 50 10 JKGE Cl[C@H](CCC1CCCC1)c1c(Br)sc(Br)c1Br 1924583106 FZVUSVUYFAFVOV-MRVPVSSYSA-N 465.476 7.286 50 10 JKGE Cl[C@H](CCC1CCCCC1)c1c(Br)sc(Br)c1Br 1924591371 QKZDAHISWYSFSL-SECBINFHSA-N 479.503 7.676 50 10 JKGE Cl[C@H](c1ccc2ccccc2c1)c1c(Br)sc(Br)c1Br 1924599248 DSLINWPOYKXJRE-CYBMUJFWSA-N 495.461 7.517 50 10 JKGE Clc1sc(Br)c(Cl)c1[C@@H](Br)c1csc(Br)c1 1925567410 BZQNUBYHLCEZHC-LURJTMIESA-N 485.875 7.126 50 10 JKGE Clc1sc(Br)c(Cl)c1[C@@H](Br)[C@@H]1CCCc2ccccc21 1925599491 NMCQXPSLZLJPKH-PWSUYJOCSA-N 455.042 7.374 50 10 JKGE CCc1sc(Br)cc1[C@@H](Cl)c1csc(Br)c1Br 1945183882 PRTSKWZJGIBPRP-SNVBAGLBSA-N 479.484 6.988 50 10 JKGE FC(F)(F)CCC[C@@H](Br)c1c(Br)sc(Br)c1Cl 2022698893 OBIWZAWRQWEONL-SCSAIBSYSA-N 479.381 7.095 50 10 JKGE Cc1cc(Br)c(F)c([C@@H](Cl)c2cc(Br)sc2Br)c1 2028922673 CXORYTRKPBEXPU-SNVBAGLBSA-N 477.418 6.811 50 10 JKGE Fc1cc(F)c([C@@H](Br)c2csc(Br)c2Br)c(F)c1 2032959069 SWCWKEDVZBBRSL-VIFPVBQESA-N 464.926 6.175 50 10 JKGE COc1sc([C@H](Br)c2ccc(Br)cc2C)cc1Br 2034629607 OSCZDHZRKZVVBH-GFCCVEGCSA-N 455.009 6.074 50 10 JKGE O=C(N[C@H](CBr)c1ccsc1)c1scc(Br)c1Br 2055484252 SENZFARRKPEMMT-MRVPVSSYSA-N 474.037 5.201 50 10 JKGE C[C@H]1O[C@@]2([C@@H](Br)c3c(Br)sc(Br)c3Cl)CC[C@H]1C2 2078505354 LBHMPQFVFCFXLR-NUMBIYFWSA-N 479.459 6.320 50 10 JKGE Cc1ccc(-n2nc(CCl)c(I)c2C(F)(F)F)cc1C(F)(F)F 2079211327 PGISYNZKRINDFP-UHFFFAOYSA-N 468.566 5.562 50 10 JKGE Oc1cc(Cn2nc(CBr)c(Br)c2C(F)(F)F)cc(C(F)(F)F)c1 2079231414 YYTRXZXIZCQSCC-UHFFFAOYSA-N 482.016 5.332 50 10 JKGE Brc1cc([C@@H](Br)C2C[C@H]3COC[C@H](C2)C3)c(Br)s1 2085744116 QCICODVLIJUDEI-UBJUHAIHSA-N 459.041 5.772 50 10 JKGE BrC[C@]12CCC[C@@H]1CN(Cc1ccc(Br)cc1Br)C2 2103172732 PBGDDKVVKNQOSE-DOMZBBRYSA-N 452.028 5.209 50 10 JKGE Clc1ccc(CC[C@@H](Br)c2ccccc2Br)c(Br)c1 2113440719 ZZZCEHUDGGINJP-CQSZACIVSA-N 467.426 6.934 50 10 JKGE O=C(NCC[C@@H]1CCCC[C@@H]1Br)c1cc(Br)sc1Br 2123029576 IRXNMTYPQSNJLS-WPRPVWTQSA-N 474.056 5.347 50 10 JKGE Clc1c(Br)sc(Br)c1[C@H](Br)C1CC2(C1)CC21CCC1 2127503504 BAWHCZIEUULFPM-RCIBXWMZSA-N 489.498 7.333 50 10 JKGE Cc1cc(Br)c(C)c([C@H](Br)C[C@H]2OCC[C@@H]2C)c1Br 2136370059 HFNGMVFNLBOHBM-ZEGGKSINSA-N 455.028 6.080 50 10 JKGE Cc1cc(Br)c(C)c([C@H](Cl)c2cccc(OCc3ccccc3)c2)c1Br 2136380887 WWTRXESDSTWSEW-JOCHJYFZSA-N 494.654 7.736 50 10 JKGE Cc1cc(Br)c(C)c([C@H](Br)[C@@H]2C[C@H]2C2CCC2)c1Br 2136382589 UDCLCCXIXXEDTG-HWWQOWPSSA-N 451.040 6.701 50 10 JKGE COc1cc(F)c([C@@H](Br)c2cccc(OCc3ccccc3)c2)cc1Br 2138157927 BNLZDKRODUSQNP-NRFANRHFSA-N 480.171 6.660 50 10 JKGE BrC[C@H]1CCC2(CCC2)N1Cc1cc(Br)ccc1Br 2140862638 VVZRRZXBJFYVKA-CYBMUJFWSA-N 452.028 5.494 50 10 JKGE BrCc1cc(Br)cc(Br)c1OCc1nc2c(s1)CCC2 2151183760 CUFUIPIQNMCERG-UHFFFAOYSA-N 482.035 5.631 50 10 JKGE Cc1cc(Br)c(C)c(Oc2c(CBr)ccc(Br)c2Cl)c1 2154374196 ULTDSKMELMNBAJ-UHFFFAOYSA-N 483.425 7.169 50 10 JKGE C[C@@H]1CN(Cc2ccccc2)C[C@H]1Cn1c(CCl)nc2cc(Br)c(Cl)cc21 2159868047 ZJBIHELHNUXKAJ-ZBFHGGJFSA-N 467.238 5.959 50 10 JKGE Cc1cc(Br)c([C@H](Br)[C@@H]2[C@H]3CCCC(F)(F)[C@@H]32)cc1Br 2170808791 PZSAGVGZIZTGKS-NGSVMEPUSA-N 472.993 6.637 50 10 JKGE Cc1cc(Br)c(F)c(C(=O)N[C@H](C)CCCCCI)c1 2174528847 FVTTVOGYJZDPRA-LLVKDONJSA-N 456.137 5.010 50 10 JKGE O=C(c1csc(Br)c1Br)N1C[C@H](CBr)C2(CCCC2)C1 2175221407 OTVPXAJUIZNAGH-VIFPVBQESA-N 486.067 5.300 50 10 JKGE Cc1cc(CBr)ccc1S(=O)(=O)N(Cc1ccccc1)[C@H](C)c1cccs1 2179776319 SYJGPCOTLMGSPE-QGZVFWFLSA-N 464.450 5.904 50 10 JKGE COc1cc(Br)c(C)cc1[C@H](Br)c1c(Br)nn(C)c1C 2188141451 LVJBWQPBLXBONP-ZDUSSCGKSA-N 466.999 5.055 50 10 JKGE Cc1cc(Br)c(C)c([C@@H](Br)[C@H]2CC23CCOCC3)c1Br 2201061689 HJJAQCGTRVZSHT-ABAIWWIYSA-N 467.039 6.081 50 10 JKGE Cc1cc(Br)c(C)c([C@H](Cl)c2c(C)nn(C)c2Br)c1Br 2201073708 QCMIGGKNAFTKEB-ZDUSSCGKSA-N 485.445 5.961 50 10 JKGE Cc1cc([C@H](Cl)c2c(Br)cc(F)c(Cl)c2F)ccc1I 2207110007 CUERJXRFGDBFCF-LBPRGKRZSA-N 491.928 6.622 50 10 JKGE BrCc1cc(Br)ccc1OC[C@@H]1CC1(Br)Br 2210244965 IXALGCUNAJNWHX-QMMMGPOBSA-N 477.816 5.229 50 10 JKGE CC1(C)[C@@H]([C@@H](Br)c2cc(Br)c(Br)cc2F)C1(F)F 2218604415 VUBBOMSQTCWJIB-VHSXEESVSA-N 450.918 6.078 50 10 JKGE Fc1cc(Br)c(Br)cc1[C@@H](Br)Cc1ccc(Cl)cc1 2225615867 AFFXDFMQESMHQV-NSHDSACASA-N 471.389 6.683 50 10 JKGE COc1cc(F)ccc1[C@H](Br)c1sc(Br)c(C)c1Br 2225633166 HTLIJUMMBDEQGG-NSHDSACASA-N 472.999 6.214 50 10 JKGE CCOc1ccc([C@H](Br)c2scc(Br)c2C)c(Br)c1 2226124221 UEXZWZKFKJEVGV-ZDUSSCGKSA-N 469.036 6.465 50 10 JKGE CCN(C[C@](C)(CI)OC1C2CC3CC(C2)CC1C3)C(=O)OC(C)(C)C 2230448786 XSMWOZZBNYVIII-WGRMAXNNSA-N 477.427 5.278 50 10 JKGE Cc1cc([C@@H](Br)Cc2cc(Cl)cc(Cl)c2)ccc1I 2232132804 BLGWRQMYGLFCSV-AWEZNQCLSA-N 469.975 6.585 50 10 JKGE Cc1ccc([C@@H](Cl)c2scc(C(F)(F)F)c2Br)cc1I 2232832379 AOFJRZADPJEZFN-LLVKDONJSA-N 495.529 6.771 50 10 JKGE CS(=O)(=O)c1sccc1[C@@H](Cl)c1cc(Br)c(Br)cc1F 2233992329 MXPVZMCEAORMTP-LLVKDONJSA-N 462.587 5.144 50 10 JKGE Cc1cc(Br)c([C@H](Br)[C@@H]2C[C@@]2(C)C(F)(F)F)c(C)c1Br 2235602237 YCTXYICBYVWNFJ-ZEGGKSINSA-N 478.972 6.853 50 10 JKGE COc1cc(C)c(Br)cc1[C@H](Cl)c1cc(C)ccc1I 2240997084 RCTNUBCPBUDXIH-MRXNPFEDSA-N 465.556 6.007 50 10 JKGE FC(F)[C@@H]1CCC[C@H]1[C@H](Br)c1cc(Br)c(Br)s1 2249240256 VBDDYFFQRIOURZ-KCRUCZTKSA-N 452.984 6.391 50 10 JKGE Fc1ccsc1[C@@H](Br)c1c(F)cc(Br)c(F)c1Br 2259999513 QQBKXDHKVKXJAW-VIFPVBQESA-N 464.926 6.175 50 10 JKGE Cc1cc(Cl)c(Cl)cc1[C@H](Br)c1ccc(Cl)c(I)c1 2268270620 RXILIDJXCNUAFO-CQSZACIVSA-N 490.393 7.044 50 10 JKGE Clc1ccc(Br)cc1CO[C@H]1CCCCCC[C@@H]1I 2277807050 PZVVXUQSHGCTPS-GJZGRUSLSA-N 457.577 6.146 50 10 JKGE Cc1ccc(Br)c([C@@H](Cl)Cc2cc(Br)cc(Br)c2)c1 2277963807 YTCUCFILIYZDCW-HNNXBMFYSA-N 467.426 6.805 50 10 JKGE FC1(F)C[C@@](CBr)(Cc2cc(Br)ccc2Br)C12CCC2 2280847394 ZBBLEXAOWUDWBW-CYBMUJFWSA-N 472.993 6.345 50 10 JKGE COc1ccc([C@@H](Br)c2csc(C(F)(F)F)c2)cc1I 2285009637 PRLOUSLYHUTKMV-GFCCVEGCSA-N 477.083 5.864 50 10 JKGE Brc1coc([C@@H](Br)c2cc3c(cc2Br)OCCCO3)c1 2286014611 ROMMPXLDACJVCA-AWEZNQCLSA-N 466.951 5.450 50 10 JKGE COc1cccc(OCCOc2c(Cl)cc(Cl)cc2C=C(C#N)C(=O)Nc2ccccc2)c1 2293115885 BUACKSKFHZOIGY-UHFFFAOYSA-N 483.351 6.005 50 10 JKGE Cc1cc(C=C(C#N)C(=O)Nc2ccc(Br)cc2)c(C)n1-c1cccc(C(=O)O)c1 2294175269 OMOWIIBOMCWSBJ-UHFFFAOYSA-N 464.319 5.101 50 10 JKGE COc1c(Br)cc([C@H](Br)c2nscc2Br)c(OC)c1C 2295435023 NXPCWBJRAMOTJI-JTQLQIEISA-N 486.023 5.478 50 10 JKGE CCOC(=O)c1c(-c2ccc(Br)cc2)csc1NC(=O)C(C#N)=Cc1ccc(C)o1 2295880047 FFBYKZXPPIVTGY-UHFFFAOYSA-N 485.359 5.801 50 10 JKGE CCc1ccc(NC(=O)C(C#N)=C2S[C@H](Cc3ccc(OC)cc3)C(=O)N2c2ccccc2)cc1 2296507152 VQJTWCVBZOJFDI-RUZDIDTESA-N 483.593 5.323 50 10 JKGE Cc1ccc(Cc2cnc(NC(=O)C(C#N)=Cc3ccc(OCc4ccccc4)cc3)s2)cc1 2296832282 JNOVSMVJOFZUDA-UHFFFAOYSA-N 465.578 6.167 50 10 JKGE CCOc1c(I)cc(C=C(C#N)c2nc3ccccc3s2)cc1OC 2297369023 IGQWFQLXBOZOKQ-UHFFFAOYSA-N 462.312 5.372 50 10 JKGE Brc1ccc(OCc2ccccc2)c([C@H](Br)C(C2CC2)C2CC2)c1 2299496823 VTWFSYAPAYQXAI-NRFANRHFSA-N 450.214 6.900 50 10 JKGE Cc1sc([C@H](Br)c2csc(C)c2Br)c(Br)c1C 2303644067 NISJNYDSDWEMPK-LLVKDONJSA-N 459.066 6.744 50 10 JKGE N#CC(=Cc1cc(Br)c(Sc2ccc(Cl)cc2)o1)C(=O)NC1CCCCC1 2313562460 SKUMWHPZZOCELS-UHFFFAOYSA-N 465.800 6.203 50 10 JKGE N#CC(=Cc1cccn1-c1ccc(Br)cc1)C(=O)Nc1ccc(Br)cc1 2313565082 QSZXUBMAKHXCEN-UHFFFAOYSA-N 471.152 5.548 50 10 JKGE N#CC(=Cc1ccc(OCc2c(Cl)cccc2Cl)cc1)C(=O)Nc1cccc(Cl)c1Cl 2313630682 DSCWMMCWTYHKJM-UHFFFAOYSA-N 492.189 7.425 50 10 JKGE FC(F)c1cscc1[C@H](Br)c1cc(Br)ccc1OCc1ccccc1 2314453247 UYEIDSGOGLVOPZ-GOSISDBHSA-N 488.191 7.512 50 10 JKGE FC(F)CC1([C@@H](Br)c2cc(Br)ccc2OCc2ccccc2)CCC1 2314454723 INCIRCWFYSXCRU-IBGZPJMESA-N 474.183 7.290 50 10 JKGE Cc1ccccc1NC(=O)C(C#N)=Cc1ccc(-n2nc(-c3ccccc3)cc2-c2ccccc2)cc1 2314482202 BCVVFNHXGGGLKI-UHFFFAOYSA-N 480.571 7.060 50 10 JKGE CC(C)Oc1cccc(C=CC(=O)NNC(=O)c2ccc(-c3ccc4ccccc4c3)s2)c1 2318770332 QNJYICPQMPRPKW-UHFFFAOYSA-N 456.567 5.830 50 10 JKGE CCc1ccc(-c2ccc(C(=O)NN=Cc3cc(Cl)cc(Br)c3O)c(C)n2)cc1 2321242279 MRAUJLVYSGNKGV-UHFFFAOYSA-N 472.770 5.505 50 10 JKGE Cc1nc(-c2ccc(F)cc2F)ccc1C(=O)NN=Cc1cc(Cl)cc(Br)c1O 2321244552 UFULFCSCSMUYSE-UHFFFAOYSA-N 480.696 5.221 50 10 JKGE N#CC(=C(O)c1ccccc1C(=O)c1ccccc1)c1nc(-c2ccc(-c3ccccc3)cc2)cs1 2331231776 AWULJNRYKBQZTF-UHFFFAOYSA-N 484.580 7.658 50 10 JKGE COc1cc(C=CC(O)=C(C#N)c2nc(-c3ccc4c(c3)CCCC4)cs2)ccc1OC(C)=O 2331240074 MAXNZNMWPQEAKW-UHFFFAOYSA-N 472.566 6.129 50 10 JKGE COc1ccc(-c2csc(C(C#N)=C(O)[C@H]3CC(=O)N([C@@H](C)c4ccccc4)C3)n2)cc1OC 2331242535 LXLJEKFQLIYHCQ-LPHOPBHVSA-N 475.570 5.230 50 10 JKGE CCCOc1ccc(-c2csc(C(C#N)=C(O)Cc3ccc(F)cc3)n2)cc1OCCC 2331292981 DVBPORMQIZHXMP-UHFFFAOYSA-N 452.551 6.562 50 10 JKGE COc1cc(-c2csc(C(C#N)=C(O)Cc3c[nH]c4ccccc34)n2)c(OC)cc1Cl 2331377118 KZLMRMISMOWBGW-UHFFFAOYSA-N 451.935 5.997 50 10 JKGE COc1c(C)cc(Cl)cc1-c1csc(C(C#N)=C(O)[C@H](C)Oc2ccc(Cl)cc2Cl)n1 2331392333 SCBHSVGKKNHJRZ-LBPRGKRZSA-N 495.815 7.348 50 10 JKGE Cc1ccc(C(C)(C)C)cc1-c1csc(C(C#N)=C(O)c2cccc(Br)c2)n1 2331396258 CYRURRYDZJAMJU-UHFFFAOYSA-N 453.405 7.128 50 10 JKGE CCOc1cc(C=C(C#N)c2nc(-c3ccccc3Cl)cs2)ccc1OCC(=O)N(CC)CC 2331431247 GBUPYNRLTQHXBA-UHFFFAOYSA-N 496.032 6.174 50 10 JKGE Cc1ccccc1COc1ccc(C=C(C#N)c2nc(-c3cccc(Br)c3)cs2)cc1 2331431920 FCWCCPFTXKDIJB-UHFFFAOYSA-N 487.422 7.524 50 10 JKGE CCCCCOc1ccc(C=C(C#N)c2nc(-c3ccc(C(C)C)cc3)cs2)cc1OCC 2331456645 OPXGGPGTXXDALN-UHFFFAOYSA-N 460.643 7.965 50 10 JKGE Cc1cc(Br)c(F)c(Br)c1[C@@H](Br)C[C@H](C)C(C)(C)C 2339646508 ROIZYPRAILUCMR-UWVGGRQHSA-N 459.035 7.167 50 10 JKGE Cl[C@@H]1CC[C@@H]2CCN(Cc3ccc(I)c(Br)c3)[C@H]1C2 2349837963 UUUWTBNDWRONLU-YVLXSGLVSA-N 454.577 5.036 50 10 JKGE ClCc1cc(Cl)ccc1NCc1ccc(I)c(Br)c1 2349854723 ILQSAWIOERKBFW-UHFFFAOYSA-N 470.963 6.058 50 10 JKGE C[C@H](OCc1ccc(I)c(Br)c1)c1nc(CCl)cs1 2350073415 OMZOHRGGDYLFLA-QMMMGPOBSA-N 472.573 5.527 50 10 JKGE Clc1ccc(I)cc1COCC1(CBr)CCCCC1 2352272855 IJKGMYFRYPTSKZ-UHFFFAOYSA-N 457.577 5.807 50 10 JKGE Fc1cc(Cl)c(Br)c(Cl)c1[C@H](Br)C(F)(F)C1CCCC1 2360484498 SLWKWSACBAWYIF-LBPRGKRZSA-N 454.939 7.157 50 10 JKGE Cc1cc(Br)c(F)c(Br)c1[C@@H](Br)[C@H]1COC2(C)CC1C2 2365195493 BTMQAALSZOLYBN-GGQDYZNZSA-N 471.002 5.910 50 10 JKGE Cc1cc(Br)c(F)c(Br)c1[C@H](Br)[C@@]1(C)C[C@H]1C(F)(F)F 2365222668 FZDHDLJXVACCEA-MKCWBWRRSA-N 482.935 6.684 50 10 JKGE Clc1cc(Cl)cc(CC[C@H](Br)c2c(Cl)cccc2Br)c1 2366888506 GGVYWWSYNUMDBB-ZDUSSCGKSA-N 457.420 7.478 50 10 JKGE CCCCCCOc1ccc(C(=O)NNC(=S)NC(=O)c2sc3ccccc3c2Cl)cc1 14025586 HUMCNPLKACUHPY-UHFFFAOYSA-N 490.050 5.463 50 10 JKGE C/C(=N\NC(=O)c1cc2ccccc2cc1O)c1ccc(OCc2cccc3ccccc23)cc1 20158831 TVGRPTYBJMJRNJ-AJBULDERSA-N 460.533 6.432 50 10 JKGE CCCCC[N+](CCCCC)(CCCCC)CCCCCCCCSS(C)(=O)=O 22067394 ZBMIWBOEJHAYMH-UHFFFAOYSA-N 450.819 7.407 50 10 JKGE in-vitro Cc1ccc(-c2csc(/C(C#N)=C\c3cc4cc(Br)ccc4nc3Cl)n2)c(C)c1 33391249 SPMVKOTZXWENNO-MFOYZWKCSA-N 480.818 7.455 50 10 JKGE CCNC(=O)/C(C#N)=C\c1cn(-c2ccccc2)nc1-c1cccc(OCc2ccccc2F)c1 35446212 BCFRZTRKSJMCDO-JCMHNJIXSA-N 466.516 5.300 50 10 JKGE CCOC(=O)c1ccc(-c2ccc(/C=C(/C#N)c3nc(-c4ccc5ccccc5c4)cs3)o2)cc1 35568785 BITGINVZGXHLBD-JLPGSUDCSA-N 476.557 7.464 50 10 JKGE C=C(C)[C@@H]1CCC(CBr)=C[C@H]1c1c(OC(C)=O)cc(CCCCC)cc1OC(C)=O 38361843 JRXXDMASJZCMMP-FCHUYYIVSA-N 477.439 6.661 50 10 JKGE in-vitro N#CC1=C(N)Oc2cc(OC(=O)c3ccc(Cl)cc3)ccc2[C@@H]1c1cccc(Br)c1 38651458 YBERJMRGKVNWNK-NRFANRHFSA-N 481.733 5.540 50 10 JKGE N#CC1=C(N)Oc2cc(OC(=O)c3ccc(Cl)cc3Cl)ccc2[C@@H]1c1cccc(F)c1 38677948 RCMOFNHJLMQBOD-NRFANRHFSA-N 455.272 5.570 50 10 JKGE Cc1cccc(C)c1OCC(=O)Oc1ccc2c(c1)OC(N)=C(C#N)[C@@H]2c1c(Cl)cccc1Cl 40529630 OJUNEJZRRBCUIA-HSZRJFAPSA-N 495.362 5.813 50 10 JKGE Cc1c(C(=O)N2CCC(C)CC2)oc2c1/C(=N/NC(=O)c1ccc(Cl)cc1Cl)CCC2 40813657 AIYDAXKFQDZDLV-NLRVBDNBSA-N 462.377 5.237 50 10 JKGE C#CCOc1ccc(/C=N/NC(=O)c2ccc(-n3c(C)ccc3-c3ccccc3)cc2)cc1CC=C 59303776 FLZIOEBSGSBEFO-WEMUVCOSSA-N 473.576 5.957 50 10 JKGE CCOc1ccc(OCC)c(C2=C/C(=C\c3ccc(N(CCCl)CCCl)cc3)C(=O)O2)c1 100372418 UZBWLXZTPOWQPX-XDJHFCHBSA-N 476.400 5.749 50 10 JKGE CCc1ccc(N2C(=O)[C@@H](Cc3ccccc3F)S/C2=C(/C#N)C(=O)Nc2ccccc2)cc1 101244359 TZRDBIWXICZUBK-OGCOBRASSA-N 471.557 5.453 50 10 JKGE CCOc1ccc(N2C(=O)[C@@H](Cc3cccc(C)c3)S/C2=C(/C#N)C(=O)Nc2ccccc2)cc1 101244665 XHACPIZWCUTCEJ-IEQIIXMPSA-N 483.593 5.459 50 10 JKGE CC1=C(C#N)C(=O)N(C)C(=O)/C1=C/c1cn(-c2ccccc2)nc1-c1ccc(OCCC(C)C)cc1 101332191 PXKOCDBPHWUHLC-PCLIKHOPSA-N 480.568 5.186 50 10 JKGE Brc1cc([C@@H](Br)[C@@H]2CCOc3ccccc32)c(Br)s1 104193996 GQRYZZCNULRFMZ-RNCFNFMXSA-N 467.020 6.275 50 10 JKGE Brc1cc([C@@H](Br)c2cc3ccccc3s2)c(Br)s1 109869850 BVSULLJLGFYCFX-GFCCVEGCSA-N 467.045 6.972 50 10 JKGE Brc1ccc(C[C@H](Br)c2csc(I)c2)cc1 118884387 SWIGFXRXDRWXRH-NSHDSACASA-N 471.983 5.794 50 10 JKGE Cl[C@@H](c1cc(Br)c(Br)s1)c1sccc1Br 128154571 NMZJBMILXNCVFB-ZETCQYMHSA-N 451.430 6.425 50 10 JKGE Cc1cc(Br)cc(CBr)c1OCc1cccc(F)c1Br 167024965 URWCIMOEQCYTLT-UHFFFAOYSA-N 466.970 6.133 50 10 JKGE COc1ccc(OC)c(NC(=O)/C(C#N)=C\Nc2cc(C(F)(F)F)cc(C(F)(F)F)c2)c1 217217553 CQUWEDRUIFNNNR-KHPPLWFESA-N 459.346 5.199 50 10 JKGE Brc1ccc(I)c([C@@H](Br)Cc2ccccc2)c1 232474897 AWALLOAZZSOKJI-ZDUSSCGKSA-N 465.954 5.732 50 10 JKGE COc1cc(F)c(Br)cc1[C@@H](Br)c1cc(C)ccc1Br 234862863 RYKUUQHDIVUSHH-HNNXBMFYSA-N 466.970 6.152 50 10 JKGE COc1cc(Cl)c([C@@H](Cl)c2cc(Cl)ccc2I)cc1Cl 235021053 GNTKXFAEEVFIDV-CQSZACIVSA-N 461.941 6.588 50 10 JKGE C[C@@H](c1ccccn1)[C@H](Br)c1cc(I)ccc1Br 235576511 HYMFDODRNBKYRL-XPTSAGLGSA-N 480.969 5.688 50 10 JKGE Fc1cccc(COc2c(Br)cc(CBr)cc2Br)c1F 236197709 FJYIWHWQMQZOKD-UHFFFAOYSA-N 470.933 5.964 50 10 JKGE Cc1c(C=NNC(=O)c2cccc(C(F)(F)F)c2)c2ccccc2n1Cc1ccc([N+](=O)[O-])cc1 254311596 IHQICMFIVVCXBF-UHFFFAOYSA-N 480.446 5.689 50 10 JKGE CCCCCCCCOc1ccc(C=NNC(=O)c2cc3cc(OC)c(OC)cc3[nH]2)cc1 254353286 WMMNNXZQQGBUTH-UHFFFAOYSA-N 451.567 5.688 50 10 JKGE CCCCCCCCCCCCCC(=O)NN=Cc1ccc(OC(=O)c2ccccc2)c(OC)c1 254430344 RUPXOQBPYWAMRT-UHFFFAOYSA-N 480.649 7.066 50 10 JKGE COc1ccc(C(=O)NN=Cc2c(OC(=O)c3cccc4ccccc34)ccc3ccccc23)cc1 254520600 LNFDHMAWAJXXRY-UHFFFAOYSA-N 474.516 5.985 50 10 JKGE COc1ccc(-n2c(SCC(=O)NN=Cc3cccc4ccccc34)nnc2-c2ccccc2)cc1 254615551 OHZQVCSDYTZHSY-UHFFFAOYSA-N 493.592 5.339 50 10 JKGE CC(=NNC(=O)c1sc2cccc(Cl)c2c1Cl)c1cccc(NC(=O)C(F)(F)F)c1 254696391 PXQXIVYABIEAFW-UHFFFAOYSA-N 474.291 5.863 50 10 JKGE COc1ccc(-n2c(SCC(=O)NN=C/C(C)=C\c3ccco3)nnc2-c2ccc(C)cc2)cc1 254739995 HPUOOKABQQMPMU-QCNVSVQSSA-N 487.585 5.142 50 10 JKGE Fc1cc(Br)ccc1[C@@H](Cl)c1cc(I)cc2c1OCC2 312406848 WIFXCGKKZJRHON-CQSZACIVSA-N 467.503 5.456 50 10 JKGE ClCc1nc2cc(I)ccc2n1C[C@H]1CCCCN(Cc2ccccc2)C1 312912529 KZYQHNRMOUVFMT-SFHVURJKSA-N 493.820 5.682 50 10 JKGE Clc1cc([C@H](Br)c2ccc(Br)cc2)c(Cl)c(Cl)c1Cl 404883358 SPYVXVNQDYCSDI-SNVBAGLBSA-N 463.811 7.547 50 10 JKGE CC(C)(C)[Si](C)(C)OCc1ccc([C@H]2CCCCCN2S(=O)(=O)c2ccccc2)cc1 616606062 XICLLSOWDNQBHM-XMMPIXPASA-N 459.728 6.514 50 10 JKGE C[C@H]1[C@@H](Br)C[C@H]2CC[C@H]1N2C(=O)c1cc(Br)c(Br)s1 686193204 MJBBPSDOKOIMLI-PYHGXSLLSA-N 472.040 5.050 50 10 JKGE Cc1cccc(C(CBr)(CBr)Cc2ncc(Br)s2)c1 713640476 VMZLQTXJEHKXGS-UHFFFAOYSA-N 468.052 5.484 50 10 JKGE C[C@@H]1Cc2cc(Br)cc([C@@H](Br)c3csc(Br)c3)c2O1 720033176 NUUMRHGEIQWWSG-UHLUBPPHSA-N 467.020 6.081 50 10 JKGE Cc1cccc(C)c1-n1c(C)c(Br)c(C=NNC(=O)[C@@H](C)SCc2ccccc2)c1C 725409218 UZYJYXOWBFTKFK-HXUWFJFHSA-N 498.490 6.245 50 10 JKGE COc1cc(C=NNC(=O)c2ccccc2[N+](=O)[O-])ccc1OCc1cccc2ccccc12 1084004205 ULGOCXORMZOJFI-UHFFFAOYSA-N 455.470 5.100 50 10 JKGE O=C(NN=Cc1ccc(OCc2ccc(Cl)cc2Cl)cc1)c1ccc(Cl)cc1Cl 1084060440 FUCFEMTZUFFGLC-UHFFFAOYSA-N 468.167 6.643 50 10 JKGE CN(C)C(=O)/C(C#N)=C/c1cc(Br)c(OCc2ccccc2Cl)c(Br)c1 1084221562 PXRULWOHSAORPL-VGOFMYFVSA-N 498.602 5.439 50 10 JKGE Cc1ccc(Cl)cc1NC(=O)/C(C#N)=C\c1ccc(OCc2ccc(Cl)c(Cl)c2)cc1 1084247879 NOSIZBZVDLGRKK-ZDLGFXPLSA-N 471.771 7.080 50 10 JKGE O=C(NN=Cc1ccc(OCc2ccc([N+](=O)[O-])cc2)cc1)c1ccc(CSc2ccccc2)cc1 1084306590 ZHXSOAKQSGDHNX-UHFFFAOYSA-N 497.576 6.230 50 10 JKGE C=CCc1cc(C=NNC(=O)c2cc3ccccc3o2)cc(OC)c1OCc1ccc([N+](=O)[O-])cc1 1084431039 PTMSVCCRIQMTTM-UHFFFAOYSA-N 485.496 5.421 50 10 JKGE COc1ccc(-c2nn(-c3ccccc3)c3c2[C@H](c2cccc4ccccc24)C(C#N)=C(N)O3)cc1 1865682858 YZXUATDDIJUGJO-AREMUKBSSA-N 470.532 5.919 50 10 JKGE N#CC1=C(N)Oc2c(c(-c3ccccc3)nn2-c2cccc(Cl)c2)[C@H]1c1ccc(Cl)cc1 1865683782 PKOISMRYKTXGJW-NRFANRHFSA-N 459.336 6.064 50 10 JKGE COc1ccc(-c2nn(Cc3ccccc3F)c3c2[C@@H](c2cccc(Cl)c2)C(C#N)=C(N)O3)cc1 1865684261 OXJHUUPTZJGPPZ-QHCPKHFHSA-N 486.934 5.618 50 10 JKGE COc1ccc(-c2nn(Cc3cccc(F)c3)c3c2[C@@H](c2ccc(C(C)C)cc2)C(C#N)=C(N)O3)cc1 1865686051 QCSYMBWIAOJHCT-SANMLTNESA-N 494.570 6.088 50 10 JKGE CCCc1nn(Cc2ccccc2Cl)c2c1[C@H](c1c(Cl)cccc1Cl)C(C#N)=C(N)O2 1865686707 YUEUHPLUXDIUFT-IBGZPJMESA-N 473.791 6.062 50 10 JKGE CCCCCCOc1c(Br)cc([C@@H]2C(C#N)=C(N)Oc3c2c(C)nn3CC)cc1OC 1865691603 WCIKHULEIVVWCP-HXUWFJFHSA-N 489.414 5.160 50 10 JKGE CCCCCOc1ccc([C@H]2C(C#N)=C(N)Oc3c2c(C)nn3-c2ccc(Cl)cc2)cc1OC 1865694952 GKUXQMKWRBOYKC-DEOSSOPVSA-N 478.980 5.630 50 10 JKGE COc1ccc(-c2nn(C)c3c2[C@H](c2ccccc2OCc2ccccc2Cl)C(C#N)=C(N)O3)cc1 1865703485 WOPFEMGSEOBZCI-XMMPIXPASA-N 498.970 5.546 50 10 JKGE COC(=O)c1ccc([C@H]2C(C#N)=C(N)Oc3c2c(C(F)(F)F)nn3-c2cccc3ccccc23)cc1 1865708864 HXIDNQVXRSULFJ-FQEVSTJZSA-N 490.441 5.049 50 10 JKGE COc1ccc(-c2nn(Cc3ccc(F)cc3)c3c2[C@@H](c2ccccc2C)C(C#N)=C(N)O3)cc1 1865712948 MSAWUWITIZEWFI-DEOSSOPVSA-N 466.516 5.273 50 10 JKGE C[C@H]1CN(c2cc(Nc3ccc(SC#N)cc3)nc(-c3cccnc3)n2)C[C@H](C)N1c1ccccc1 1868566181 VWLOHYPEIOHXES-SFTDATJTSA-N 493.640 5.959 50 10 JKGE C[C@@H](Oc1ccc(Cl)cc1Cl)/C(O)=C(\C#N)c1nc(-c2cccc(Br)c2)cs1 1872747302 WOHJEMGWEJYPMB-QNPMFDGYSA-N 496.213 7.140 50 10 JKGE CCOc1ccc(OCC)c(-c2csc(/C(C#N)=C(\O)c3cc(Cl)ccc3Cl)n2)c1 1872754858 MGXGPNLFPWVARB-FXBPSFAMSA-N 461.370 6.864 50 10 JKGE COc1cc(-c2csc(/C(C#N)=C(\O)COc3ccc(Cl)cc3)n2)c(OC)cc1Cl 1872756106 CZMSEYVRLLBALO-SDXDJHTJSA-N 463.342 6.006 50 10 JKGE COc1cc(-c2csc(/C(C#N)=C(\O)c3c(Cl)ccc(Cl)c3OC)n2)c(OC)cc1Cl 1872756175 FLDHWOZFFBKUST-ODLFYWEKSA-N 497.787 6.746 50 10 JKGE COc1ccc(OC/C(O)=C(\C#N)c2nc(-c3cc(C)c(OC)cc3C)cs2)c(C(C)(C)C)c1 1872758079 KGSFAUKFPCWRKC-ATJXCDBQSA-N 478.614 6.613 50 10 JKGE CCOc1cc(/C=C(\C#N)c2nc(-c3cc(OC)ccc3OC)cs2)cc(Br)c1O 1872791675 ODYNZPLTHUZSRZ-VGOFMYFVSA-N 487.375 5.758 50 10 JKGE CC(C)C[C@H](NC(=O)OC(C)(C)C)C(=O)N/N=C/c1ccc(OCc2ccc(Cl)cc2)cc1 1873793641 UQHCEOQGVORISY-QYJQOTDOSA-N 474.001 5.309 50 10 JKGE COc1ccc(OC)c(-c2csc(/C(C#N)=C(\O)[C@@H](C)Oc3ccc(C(C)C)cc3)n2)c1 1873920978 OJIKPUWLNXHZGN-VRYNMQIDSA-N 450.560 6.211 50 10 JKGE COc1c(Cl)ccc(Cl)c1/C(O)=C(\C#N)c1nc(-c2ccc(-c3ccccc3)cc2)cs1 1873940723 DWPDIIIYVGRPDF-NKFKGCMQSA-N 479.388 7.742 50 10 JKGE N#C/C(=C(/O)CCc1nc2ccccc2[nH]c1=O)c1nc(-c2ccc(-c3ccccc3)cc2)cs1 1873940886 LUIJMEZGOIVNTR-QLYXXIJNSA-N 476.561 6.139 50 10 JKGE C[C@@H](CCBr)N(Cc1ccccc1)S(=O)(=O)c1ccccc1C(F)(F)F 1915094261 GKMBGQQAMYBFNW-AWEZNQCLSA-N 450.320 5.070 50 10 JKGE Cc1c(Br)sc([C@H](Br)c2ccc(C(C)C)cc2)c1Br 1922901230 LXORYMZRXAAAPG-CYBMUJFWSA-N 467.064 7.189 50 10 JKGE Cc1c(Br)sc([C@H](Br)[C@@H]2C[C@H]3[C@@H](C2)C3(C)C)c1Br 1922932020 HYJIAYZGJZBUON-PKIKSRDPSA-N 457.069 6.700 50 10 JKGE Cc1c(Br)sc([C@@H](Br)[C@@H]2CCCC2(F)F)c1Br 1922939655 ISCBLVHJBZWFEY-XPUUQOCRSA-N 452.984 6.453 50 10 JKGE Clc1c(Br)sc(Br)c1[C@H](Br)[C@@H]1CCC[C@H]2C[C@H]21 1923038816 KYLBOGSRHYUQEQ-YYWONIAYSA-N 463.460 6.799 50 10 JKGE Clc1cc([C@@H](Cl)Cc2ccncc2Br)ccc1I 1924046642 CJGGXWOVRVEUNT-NSHDSACASA-N 456.936 5.625 50 10 JKGE CC1(C)CC(C)([C@@H](Cl)c2c(Br)sc(Br)c2Br)C1 1924616734 SERZBMNNMHTRHJ-QMMMGPOBSA-N 465.476 7.142 50 10 JKGE Fc1cccc(Br)c1[C@@H](Br)c1c(Cl)sc(Cl)c1Cl 1925590111 WVRYFMXUAQNAGH-MRVPVSSYSA-N 453.385 7.094 50 10 JKGE Fc1cccc([C@H](Cl)c2c(Cl)sc(Cl)c2Cl)c1I 1925622820 RIIKVNJLLBXJGB-ZETCQYMHSA-N 455.934 6.780 50 10 JKGE Clc1cc([C@@H](Cl)c2csc(Br)c2Br)sc1Br 1937734475 JQBZZGZBALYKHR-ZETCQYMHSA-N 485.875 7.079 50 10 JKGE Cc1csc(C(=O)N(Cc2ccccc2)[C@@H](CBr)C2CC2)c1Br 1939883871 PHZNWNXJZRPIRV-HNNXBMFYSA-N 457.231 5.635 50 10 JKGE Clc1ccc(I)c([C@H](Cl)c2sc(Cl)cc2Br)c1 1948822198 BBOWSWWIJZJNTH-JTQLQIEISA-N 482.395 6.750 50 10 JKGE CC[C@@H](C)[C@H](CI)NCc1ccc(Br)cc1Br 2023044884 VCXOYASZDUPGJE-RNCFNFMXSA-N 475.006 5.151 50 10 JKGE Cc1c(Br)ccc([C@H](Br)c2occc2Br)c1Br 2024283299 PCXLWNLKDPSKQD-NSHDSACASA-N 487.811 6.360 50 10 JKGE Brc1ccc([C@H](Br)Cc2ccccc2)c(I)c1 2026219315 WBZJSYVXSNDIMK-CYBMUJFWSA-N 465.954 5.732 50 10 JKGE Brc1cc([C@H](Br)[C@]23CCCC[C@H]2CCC3)sc1Br 2031752128 LDPHRKLFFDRYHL-WFBYXXMGSA-N 457.069 7.070 50 10 JKGE CCOC(=O)c1c(C)[nH]c(C(=O)C(C#N)=Cc2ccc(Oc3ccc(F)cc3)c([N+](=O)[O-])c2)c1C 2053574847 MTVJDVNSELJQTL-UHFFFAOYSA-N 477.448 5.438 50 10 JKGE Cc1c(Br)sc([C@@H](Br)C2(C(C)(F)F)CCC2)c1Br 2069944807 MHFXNFWNICXZHC-SECBINFHSA-N 467.011 6.843 50 10 JKGE Oc1ccc(Cn2nc(CBr)c(Br)c2C(F)(F)F)cc1C(F)(F)F 2079229956 MCFAFYXYZFCSDA-UHFFFAOYSA-N 482.016 5.332 50 10 JKGE CC(C)Oc1ccc(Cn2nc(CBr)c(Br)c2C(F)(F)F)cc1 2079232640 AYJKHCNWUPVCFW-UHFFFAOYSA-N 456.100 5.395 50 10 JKGE Brc1cc(Br)c([C@@H](Br)[C@H]2C[C@H]3COC[C@H](C3)C2)s1 2085743765 MRFUXOCYBWFPRL-NHRVJRKFSA-N 459.041 5.772 50 10 JKGE CCc1sc(Br)cc1[C@@H](Br)c1cc(C)cc(Br)c1F 2090672935 CHRXYDMOYDFAGR-CYBMUJFWSA-N 471.027 6.767 50 10 JKGE CCC[C@@H]1CC[C@H](Br)[C@@H](Cc2cccc(Br)c2Br)C1 2092334250 GTSFIWQZEFGSQN-BNOWGMLFSA-N 453.056 6.734 50 10 JKGE Cn1nc([C@@H](Br)c2csc3c(Br)cccc23)cc1Br 2094081191 ZXNVURDCFZMAIF-LBPRGKRZSA-N 465.008 5.644 50 10 JKGE Fc1cnccc1COc1c(Br)cc(Br)cc1CBr 2094989219 HFCVMRRXMQRNNV-UHFFFAOYSA-N 453.931 5.220 50 10 JKGE C[C@]1(C(F)(F)F)C[C@@]1(CBr)Cc1cc(Cl)ccc1I 2105504524 IDHUJWUNKUVXTI-NWDGAFQWSA-N 467.494 5.841 50 10 JKGE Clc1sc(Br)c(Cl)c1[C@H](Br)c1cc2ncccc2s1 2108685859 IXHXLCBWRHPRFU-SECBINFHSA-N 458.027 6.911 50 10 JKGE CC(C)(C)c1ccc([C@H](Br)c2cc(I)ccc2F)s1 2113356992 AMPGOQNTKWAQMD-CQSZACIVSA-N 453.158 6.274 50 10 JKGE Fc1ccc(F)c(C[C@@H](Br)c2ccccc2Br)c1Br 2113446178 DVHGDGMMECRXLJ-LLVKDONJSA-N 454.934 6.169 50 10 JKGE Cl[C@H](c1c(Br)sc(Br)c1Br)[C@H]1CCCCC12CCC2 2117006693 GLIOFQUPLGRDMH-KCJUWKMLSA-N 491.514 7.676 50 10 JKGE O=S(=O)(c1cc(CBr)c(Cl)cc1Cl)N1CCC[C@@H](OCc2ccccc2)C1 2186389048 JRYZPDTZFODVSF-MRXNPFEDSA-N 493.250 5.258 50 10 JKGE COc1cc([C@@H](Br)c2cc(F)c(Br)cc2F)ccc1Br 2192149935 CTIXICFPBYHBPX-CQSZACIVSA-N 470.933 5.983 50 10 JKGE Clc1ccc(Br)c(CO[C@H](CI)c2ccccc2Cl)c1 2200755186 WOQBRANWLLDJPB-OAHLLOKOSA-N 485.974 6.449 50 10 JKGE COc1cc(F)c([C@H](Br)c2cc(C)ccc2Br)cc1Br 2202903364 CYHDTJIYQQAWTN-OAHLLOKOSA-N 466.970 6.152 50 10 JKGE COC1(C(F)(F)[C@H](Br)c2ccc(Br)c(C)c2Br)CCC1 2203681355 ARWCTXXSIHGOKH-GFCCVEGCSA-N 476.981 6.160 50 10 JKGE Cc1c(Br)ccc([C@H](Br)[C@@]2(C)CC[C@@H](C)C2(C)C)c1Br 2203688467 UXKZVHAACLKXAP-TYFHEEPYSA-N 467.083 7.418 50 10 JKGE CC(C)(C)OC(=O)N1CCC[C@](CI)(OCc2cccc3ccccc23)C1 2205290295 ADZPFVRGGVNKAX-JOCHJYFZSA-N 481.374 5.561 50 10 JKGE CC(C)CN1C[C@@H](Cl)[C@H](c2sc(Br)c(Br)c2Br)C1 2222473370 SAVNAENECZIKAZ-HTQZYQBOSA-N 480.491 5.698 50 10 JKGE Cc1cc(Br)c([C@H](Br)C(F)(F)C(F)(F)F)c(C)c1Br 2227351299 LGWMCNDZHDTQOD-VIFPVBQESA-N 474.887 6.462 50 10 JKGE Fc1ccc(I)cc1[C@H](Cl)Cc1ccc(Br)cc1Cl 2229154617 VLPBOEPFAVXVBV-CYBMUJFWSA-N 473.938 6.369 50 10 JKGE COC[C@@H]1CC[C@@H]([C@@H](Br)c2c(Br)cc(Cl)c(Cl)c2Cl)C1 2232512415 TWUDAFHJUTWHKI-DNSOKLHBSA-N 465.440 6.908 50 10 JKGE COc1cc(F)c(Cl)cc1[C@H](Br)c1ccc(C)c(I)c1 2232835433 SHNSPUMLNAKHLN-OAHLLOKOSA-N 469.519 5.885 50 10 JKGE Fc1cc(Br)c(Br)cc1[C@H](Br)C(C(F)(F)F)C(F)(F)F 2233978250 ZPIFVERHZDVYOE-ZETCQYMHSA-N 496.840 6.528 50 10 JKGE COC[C@@H]1CC[C@@H]([C@@H](Br)c2c(Br)cc(C)c(Br)c2C)C1 2235608258 IUKIXSYNVBIWBD-XHBSWPGZSA-N 469.055 6.327 50 10 JKGE COc1cc(Br)c([C@@H](Cl)c2cccc(Br)c2Br)cc1C 2236013979 MIFGZSSRDKJTHM-HNNXBMFYSA-N 483.425 6.619 50 10 JKGE COCc1cc(Br)c([C@@H](Br)Cc2cc(Cl)cc(Cl)c2)s1 2240908343 VYWCTLJOXYHIDQ-LBPRGKRZSA-N 459.030 6.643 50 10 JKGE Cc1sc([C@@H](Br)c2cc(Cl)cc(Br)c2)c(Br)c1C 2253503498 FNYCOBCCIPNGEO-LBPRGKRZSA-N 473.455 7.028 50 10 JKGE CC[C@H]1CN(C(=O)OCc2ccccc2)[C@@H](CC)CN1CC1(CBr)CC(C)C1 2254159551 SBMPASKVMULSJR-VRCACPIISA-N 451.449 5.309 50 10 JKGE Fc1cc(F)c([C@@H](Br)c2scc(Br)c2Cl)c(F)c1Br 2264610205 SKPOYJHXPFYUAR-MRVPVSSYSA-N 499.371 6.828 50 10 JKGE Brc1cnc(N2C[C@H](Br)C[C@@H]3CCCC[C@H]32)c(Br)c1 2264948767 RUYFDUHGLQIJKI-UFGOTCBOSA-N 453.016 5.139 50 10 JKGE COc1ccc([C@@H](Cl)c2ccc(OCc3ccccc3)cc2)c(Br)c1Cl 2268264159 PNMWSLIODQDVSJ-FQEVSTJZSA-N 452.175 7.018 50 10 JKGE COc1ccc([C@@H](Cl)c2cc(Cl)ccc2Br)cc1I 2269541292 DGVJGWUIMONPAT-CQSZACIVSA-N 471.947 6.044 50 10 JKGE COc1cc(C)c(Br)c(C)c1[C@H](Br)c1cc(Br)cs1 2269599649 XMACDKNUZVWXEA-CQSZACIVSA-N 469.036 6.383 50 10 JKGE C=CC[C@]1(CBr)CCCCN1c1ncc(Br)cc1Br 2272084600 MVSIXBVYHAAQKK-CQSZACIVSA-N 453.016 5.307 50 10 JKGE CS(=O)(=O)c1cscc1[C@@H](Cl)c1c(Br)sc(Br)c1Cl 2272851132 FGSVEQPRDXAPOP-SSDOTTSWSA-N 485.071 5.720 50 10 JKGE COc1cc(Cl)c([C@H](Br)c2sccc2I)c(OC)c1 2277615079 XWDOFKCTVRKNSD-LBPRGKRZSA-N 473.557 5.508 50 10 JKGE O=[N+]([O-])c1ccc(Oc2cc(I)ccc2Cl)c(CBr)c1 2288273208 LSWQBZJPCQPMCB-UHFFFAOYSA-N 468.472 5.540 50 10 JKGE COc1cc(C=C(C#N)C(=O)Nc2ncc(Cc3ccc(F)cc3)s2)ccc1OCc1ccccc1 2293038637 QLEKJAXDKZSTAJ-UHFFFAOYSA-N 499.567 6.006 50 10 JKGE COc1cc(C=C(C#N)c2ccc(Cl)cc2)c(Br)cc1OCc1ccc(C)cc1 2294619962 SYVUBBMHIGFAQV-UHFFFAOYSA-N 468.778 7.063 50 10 JKGE Fc1cc(Cl)c([C@H](Cl)Cc2cc(Br)cc(Br)c2)cc1Cl 2295268369 YBMGAOFMAQUPNS-LLVKDONJSA-N 461.383 7.180 50 10 JKGE FC1(F)CCCC[C@@H]([C@@H](Br)Cc2cc(Br)cc(Br)c2)C1 2295336604 YMYBCSVTIMZLHK-RISCZKNCSA-N 475.009 6.733 50 10 JKGE COC(=O)c1ccsc1NC(=O)C(C#N)=Cc1cn(Cc2ccccc2)nc1-c1ccc(OC)cc1 2295669969 RVKUAEQFADCTOB-UHFFFAOYSA-N 498.564 5.001 50 10 JKGE CN(C(=O)c1scc(Br)c1Br)[C@H](CBr)c1ccccc1 2296504332 TUWIZJGUFKILDV-LLVKDONJSA-N 482.035 5.481 50 10 JKGE C=CCOc1ccc(-c2nn(-c3ccccc3)cc2C=C(C#N)c2nc3ccccc3s2)cc1 2296729483 QFBKRJQKUCOISZ-UHFFFAOYSA-N 460.562 6.778 50 10 JKGE N#CC(=Cc1ccc(OCC(=O)O)c(I)c1)c1ccc(Cl)c(Cl)c1 2297369187 ZUFGMSZXTMSXSQ-UHFFFAOYSA-N 474.081 5.126 50 10 JKGE C[C@@H]1Cc2cc(-c3nn(-c4ccccc4)cc3C=C(C#N)c3nc4ccccc4n3C)ccc2O1 2297578906 PNKQLVFIOIRKSA-LJQANCHMSA-N 457.537 5.814 50 10 JKGE CC12CC([C@H](Br)c3cc(Br)ccc3OCc3ccccc3)(CO1)C2 2299505148 UJCMQCZTCUSSRN-XEVCZEQESA-N 452.186 6.033 50 10 JKGE N#CC(=Cc1cc(Br)c(Sc2ccc(Cl)cc2)o1)C(=O)Nc1ccccc1 2313564823 AHRZCAKIGVTDIM-UHFFFAOYSA-N 459.752 6.392 50 10 JKGE COc1ccc([N+](=O)[O-])cc1-c1ccc(C=C(C#N)C(=O)Nc2cccc(Cl)c2Cl)o1 2313571138 OBZBVDRLVOOYII-UHFFFAOYSA-N 458.257 5.716 50 10 JKGE Cc1ccc(C(=O)Nc2sc(C(C#N)=CC3=Cc4ccccc4O[C@@H]3C)nc2-c2ccccc2)cc1 2314432560 CDJGNLDVDWTOEA-HXUWFJFHSA-N 489.600 7.142 50 10 JKGE CC1(C)OCCO[C@H]1[C@H](Br)c1cc(Br)ccc1OCc1ccccc1 2314441338 XXTDRYHKARDCAG-MOPGFXCFSA-N 470.201 5.658 50 10 JKGE CC(C)c1ccc(N2C(=O)[C@H](Cc3ccccc3)SC2=C(C#N)C(=O)NCc2ccco2)cc1 2314592713 AFRBVRJMVJEFCV-DEOSSOPVSA-N 471.582 5.146 50 10 JKGE CCc1ccc(N2C(=O)[C@@H](Cc3ccc(C)cc3)SC2=C(C#N)C(=O)N[C@H](C)c2ccccc2)cc1 2314593893 VOJUBHIPEBONLQ-JIPXPUAJSA-N 495.648 5.861 50 10 JKGE O=C(C=Cc1ccccc1)NN=C1C(=O)N(Cc2ccc(Cl)cc2)c2ccc(Br)cc21 2314717479 FERCSECRFPZHCJ-UHFFFAOYSA-N 494.776 5.183 50 10 JKGE N#CC(=Cc1cc(Br)ccc1OCc1ccccc1)C(=O)NCCc1ccccc1 2314739739 LGTWGCIJDFNLSB-UHFFFAOYSA-N 461.359 5.294 50 10 JKGE CCOc1ccc(C=C(C#N)C(=O)Nc2ccc(C(C)(C)C)cc2Br)cc1OC 2314951428 POXQROFNRJKZQB-UHFFFAOYSA-N 457.368 5.700 50 10 JKGE Clc1cc(I)c([C@@H](Br)[C@@H]2OC[C@@H]3CCCC[C@@H]32)s1 2316597875 XAYDFHCBNXHJSR-RJVLYZLMSA-N 461.590 5.647 50 10 JKGE Cc1cc([C@H](Br)c2sc(Cl)cc2I)cc(C)c1F 2316608044 YLXCGPNLRGDZQR-NSHDSACASA-N 459.549 6.246 50 10 JKGE Cc1cc(Br)c(F)c(Br)c1[C@@H](Br)c1csnc1C 2317401644 UUMWQDBAKZRZDT-JTQLQIEISA-N 457.988 5.908 50 10 JKGE COc1ccc(C(C#N)=Cc2ccc(OC(=O)CCOc3ccccc3)c(OC)c2)cc1OC 2320506446 JVDQMJAGFMDGAY-UHFFFAOYSA-N 459.498 5.151 50 10 JKGE COc1cc(C=CC(=O)Nc2nnc(CCl)s2)ccc1OCc1ccc(Cl)cc1 2325149648 RQVMWXJRVGBGQA-UHFFFAOYSA-N 450.347 5.170 50 10 JKGE CCCCc1ccc(-c2csc(C(C#N)=C(O)COc3ccc(OC)cc3C(C)(C)C)n2)cc1 2331255820 DPSBVOMLYRUBFJ-UHFFFAOYSA-N 476.642 7.330 50 10 JKGE COc1cc(C(O)=C(C#N)c2nc(-c3ccc(Cl)c(Cl)c3)cs2)c([N+](=O)[O-])cc1OC 2331311817 BBZONXKEKDPCNZ-UHFFFAOYSA-N 478.313 5.992 50 10 JKGE COc1cc(C)c(-c2csc(C(C#N)=C(O)[C@H](C)Oc3ccc(C(C)C)cc3)n2)cc1C(C)C 2331356035 HPBZZKHLJNYWAI-IBGZPJMESA-N 476.642 7.634 50 10 JKGE Cc1cc(C)c(C)c(-c2csc(C(C#N)=C(O)CNC(=O)c3ccc(Cl)cc3Cl)n2)c1C 2331364496 HCZDXVLARFOYKJ-UHFFFAOYSA-N 486.424 6.573 50 10 JKGE CC[C@H](C)N1C(=O)c2ccc(C(O)=C(C#N)c3nc(-c4ccc(OC)c(Cl)c4)cs3)cc2C1=O 2331398156 MYOLOKYOLVROEG-ZDUSSCGKSA-N 493.972 5.816 50 10 JKGE COc1ccc(-c2csc(C(C#N)=C(O)COc3ccc(C)c(C)c3)n2)c(OC)c1OC 2331412970 XVIDGSQMJLHKRV-UHFFFAOYSA-N 452.532 5.324 50 10 JKGE Cn1c([C@@H](Cl)c2c(Cl)cc(Br)c(F)c2Br)cnc1Cl 2337095212 XXRVNAKZYXYOTF-SECBINFHSA-N 451.348 5.719 50 10 JKGE Cc1cc(Br)c(F)c(Br)c1[C@@H](Br)C1CC2(CCC2)C1 2339651238 NSGONSZLSJHUGA-LBPRGKRZSA-N 455.003 6.675 50 10 JKGE COc1c(Br)cc(C)c([C@H](Br)[C@]2(C)CCOC2)c1Br 2339690025 GSUIUMUIRFWDOO-UONOGXRCSA-N 457.000 5.391 50 10 JKGE Brc1cscc1[C@@H](Br)c1cc2c(cc1Br)OCCC2 2343583631 FKVIKPBJBHHDIR-AWEZNQCLSA-N 467.020 6.082 50 10 JKGE Clc1ccc(OCc2cc(I)ccc2Cl)c(CBr)c1 2352426289 RJOKOZKBVYXJLJ-UHFFFAOYSA-N 471.947 6.072 50 10 JKGE FC1(F)C[C@]12CCC[C@@H]([C@@H](Cl)c1ccc(OCc3ccccc3)cc1Br)C2 2361196042 UQKUDJWTLVSYIF-MAODMQOUSA-N 455.770 7.524 50 10 JKGE Cc1ccc(C(C)C)c(OCC(=O)N/N=C/c2ccc(OCc3ccccc3Cl)cc2)c1 3102476 IXQSQBNRNLQSKO-RWPZCVJISA-N 450.966 5.880 50 10 JKGE COc1ccc2nc(/C(C#N)=C/c3cc(Cl)c(OCc4cccc([N+](=O)[O-])c4)c(OC)c3)[nH]c2c1 9263706 UQTXJWAZPGIAJQ-CAOOACKPSA-N 490.903 5.785 50 10 JKGE N#C/C(C(=O)CSc1nc(-c2ccccc2)c(-c2ccccc2)o1)=C1/NC(c2cccs2)=CS1 12935688 YSJVFRRXNUXGRC-NCELDCMTSA-N 499.642 6.801 50 10 JKGE Cc1ccc(C(C)C)c(OCC(=O)NNC(=O)COc2ccc(C(C)(C)C)cc2C(C)(C)C)c1 14661730 RIJMDVFAKAFQMC-UHFFFAOYSA-N 468.638 5.319 50 10 JKGE COc1ccc(/C(C#N)=C\c2ccc(OC(=O)c3ccc(Br)cc3)cc2)cc1OC 31900922 HSRIIAFQOFIVPQ-UYRXBGFRSA-N 464.315 5.750 50 10 JKGE N#C/C(=C/c1ccc(I)cc1)c1nc(-c2ccc([N+](=O)[O-])cc2)cs1 33391305 ZHNHWLNCCUAGIG-ZROIWOOFSA-N 459.268 5.387 50 10 JKGE CC(C)(C)c1cc(/C=C(/C#N)C(=O)Nc2ccccc2Br)cc(C(C)(C)C)c1O 33410047 RNNPLJJAAIMPGY-WJDWOHSUSA-N 455.396 6.295 50 10 JKGE O=C1N/C(=N/NC(=O)c2cccc3ccccc23)S/C1=C/c1ccccc1OCc1ccccc1 33927904 IUDNZJUSQNSRSC-KOEQRZSOSA-N 479.561 5.324 50 10 JKGE N#C/C(=C/c1ccc2noc(-c3ccccc3)c2c1)c1nc(O)c2cc(Br)ccc2n1 35518723 YYFZCSGCGXWWHS-YBEGLDIGSA-N 469.298 5.970 50 10 JKGE CCCN1C(=O)C(C#N)=C(C)/C(=C\c2ccc(OCc3ccccc3Cl)c(OCC)c2)C1=O 38603535 SXCXLGHNWJLBNL-DEDYPNTBSA-N 464.949 5.320 50 10 JKGE COc1cccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)[C@H](C)Oc4ccc(C(C)C)cc4)ccc32)c1 38650237 KIQRFRSTUHHRTM-MYUZEXMDSA-N 484.552 5.410 50 10 JKGE C[C@@H](Oc1ccccc1F)C(=O)Oc1ccc2c(c1)OC(N)=C(C#N)[C@@H]2c1ccc(Cl)c(Cl)c1 38655902 DOULGPJZEZZIFY-JCQPUDPBSA-N 499.325 5.724 50 10 JKGE CCCOc1ccccc1[C@@H]1C(C#N)=C(N)Oc2cc(OC(=O)c3ccc(OCC)cc3)ccc21 38681484 QUZQJMSULKHKPT-SANMLTNESA-N 470.525 5.311 50 10 JKGE CCCCOc1ccccc1[C@H]1C(C#N)=C(N)Oc2cc(OC(=O)c3cccc(OC)c3)ccc21 38682668 WFUFIGXELHESEZ-AREMUKBSSA-N 470.525 5.311 50 10 JKGE Cc1cc(Cl)ccc1NC(=O)c1oc2c(c1C)/C(=N/NC(=O)c1cccc(Cl)c1)CCC2 40813304 ZCITZBZXQUMLNX-TURZUDJPSA-N 470.356 5.926 50 10 JKGE Cc1c(C(=O)N2CCC(C)CC2)oc2c1/C(=N/NC(=O)C(c1ccccc1)c1ccccc1)CCC2 40815413 GCBNYVMXXHQSCW-QFMPWRQOSA-N 483.612 5.449 50 10 JKGE CCCOc1ccccc1/C=C(\C#N)C(=O)Nc1nc(-c2ccc(-c3ccccc3)cc2)cs1 40948984 TZHKTTSCEXAWIM-JJIBRWJFSA-N 465.578 6.812 50 10 JKGE CCOc1ccc([C@@H](O)CCC(=O)N/N=C/c2cc(C)n(-c3cccc(Cl)c3Cl)c2C)cc1 58894482 PNDTYTNYJYTWHL-YJGSSNSBSA-N 488.415 5.764 50 10 JKGE CCc1ccc(NC(=O)/C(C#N)=C/c2cccc(OCc3ccc(Cl)cc3Cl)c2)cc1 59272211 KMJKUUDVVAZRPU-UDWIEESQSA-N 451.353 6.680 50 10 JKGE Cc1cc(/C=C(/C#N)c2nc3c(s2)C[C@@H](C)CC3)c(C)n1-c1ccc(Br)cc1 96835586 COOYYYZPIPYIJJ-HIXWQLQUSA-N 452.421 6.502 50 10 JKGE CC[C@H](C)N1C(=O)C(C#N)=C(C)/C(=C\c2cn(-c3ccccc3)nc2-c2ccc(C)c(F)c2)C1=O 101334278 MBNDRSNIVSCAGA-XNQWGTPPSA-N 468.532 5.378 50 10 JKGE COc1ccc([C@H](Br)c2cc(F)cc(Br)c2)cc1Br 109833781 SOSRCKQAFSTYCW-AWEZNQCLSA-N 452.943 5.844 50 10 JKGE Cc1cc(Br)c([C@H](Br)c2c(F)cc(F)cc2F)cc1Br 128838309 ISLKDIXZSINHLV-AWEZNQCLSA-N 472.924 6.422 50 10 JKGE COc1cc(OC)cc([C@H](Br)c2cc(Br)c(C)cc2Br)c1 128841605 UPVFAUYBUQKLQP-INIZCTEOSA-N 479.006 6.022 50 10 JKGE Brc1ccc(Br)c([C@@H](Br)c2cc3c(s2)CCSC3)c1 130415424 IYNAHIBSIVUREY-CQSZACIVSA-N 483.088 6.547 50 10 JKGE CCCCCCOc1ccc(/C=N\NC(=O)CSc2nc3ccccc3s2)cc1OC 137768199 RAOQJUWOPXYHIM-IWIPYMOSSA-N 457.621 5.506 50 10 JKGE CCCCCC[C@H](C)O[C@](C)(CI)c1ccccc1Br 162183044 PGJNOBGALQHIQH-WMLDXEAASA-N 453.202 6.475 50 10 JKGE Clc1ccc([C@H](CI)OCc2cccc(Br)c2)cc1 162545545 LSLVJIYZFFIPCO-HNNXBMFYSA-N 451.529 5.795 50 10 JKGE COc1cc(/C=N\NC(=O)c2c(C)ccc3ccccc23)cc(OC)c1OCc1ccccc1 169921537 HXNVOEWAMKQTQV-RHANQZHGSA-N 454.526 5.508 50 10 JKGE CC(C)N(CC[C@H](c1ccccc1)c1cc(CO)ccc1O[Si](C)(C)C(C)(C)C)C(C)C 196953647 SGRHEKPPVGNDJJ-RUZDIDTESA-N 455.759 7.204 50 10 JKGE in-vitro Cc1sc(Br)cc1[C@@H](Cl)c1cc(Cl)ccc1I 235818277 IRYLZWHGMADJAV-GFCCVEGCSA-N 461.977 6.405 50 10 JKGE Fc1ccc(C[C@H](Br)c2ccc(Br)cc2Br)c(F)c1 236170691 PEAWFAJDDVLNAZ-LBPRGKRZSA-N 454.934 6.169 50 10 JKGE CCOc1cc(C=NNC(=O)c2ccc(C)cc2OC)ccc1OCc1ccc(Cl)cc1 252595885 CFAVBDSVZRGHRR-UHFFFAOYSA-N 452.938 5.399 50 10 JKGE CC(/C=C\c1ccccc1)=NNC(=O)CCCCCCC(=O)NN=C(C)/C=C/c1ccccc1 254481702 IBVRVFSLMRAXPQ-DXAAYZDFSA-N 458.606 5.738 50 10 JKGE CCCCCCCCCCCC(=O)NCC(=O)NN=Cc1cccc(Oc2ccccc2)c1 254737855 TWWZMAGHNKRLHK-UHFFFAOYSA-N 451.611 5.966 50 10 JKGE CCn1c(SCC(=O)NN=C(C)c2ccc(-c3ccccc3)cc2)nnc1-c1ccc(OC)cc1 254834681 PEPFZFVHDZKFIZ-UHFFFAOYSA-N 485.613 5.273 50 10 JKGE COc1ccc2ccccc2c1C=NNC(=O)CSc1nnc(SCc2ccccc2)s1 254876902 QNXUYRBNRFJHQD-UHFFFAOYSA-N 480.640 5.235 50 10 JKGE CC(C)(C)C1C[C](P(c2ccccc2)c2ccccc2)[C](P(c2ccccc2)c2ccccc2)C1 260988706 HPQNSDXCESBTDJ-UHFFFAOYSA-N 492.583 7.772 50 10 JKGE CS(C)(=O)=N[P+](c1ccccc1)(c1ccccc1)[C@@H](N=Nc1ccccc1)c1ccccc1 263629981 MRKUMUJUVWCEOF-HHHXNRCGSA-N 472.574 6.780 50 10 JKGE Fc1ccc([C@@H](Br)c2cc3c(cc2Br)OCC3)cc1Br 308414212 KHOAJVZKBVZQIE-OAHLLOKOSA-N 464.954 5.770 50 10 JKGE Fc1ccc([C@@H](Cl)c2cc(I)cc3c2OCC3)c(Br)c1 312404283 VUQXQAYLKCUUQL-CQSZACIVSA-N 467.503 5.456 50 10 JKGE Cc1cc(Br)ccc1[C@H]1CN(C(=O)OC(C)(C)C)C[C@H]1CI 382686148 FUDQENSSEUAQPT-DOMZBBRYSA-N 480.184 5.143 50 10 JKGE COCc1cc(Br)c([C@H](Br)c2cccc(Br)c2)s1 688087431 SKLYHQFKYUFVPB-GFCCVEGCSA-N 455.009 5.904 50 10 JKGE Fc1ccc([C@H](Br)c2cc(Cl)ccc2Br)c(F)c1Br 691638734 ZOOJLGRRUOOHHD-NSHDSACASA-N 475.352 6.628 50 10 JKGE CC1(C)CO[C@@H](COc2c(Br)cc(Br)cc2CBr)C1 708348167 LAKCKFXMJNUZHX-LLVKDONJSA-N 457.000 5.300 50 10 JKGE C[C@H](Cl)c1nc2cc(I)ccc2n1C[C@@H]1CCN1Cc1ccccc1 716235906 DXRMYDAZEAFIIA-YOEHRIQHSA-N 465.766 5.215 50 10 JKGE O=C(COc1ccc(Cl)cc1Cl)NN=Cc1ccc(OCc2cccc(Cl)c2)cc1 1083971314 UDNJVPANHYLLFO-UHFFFAOYSA-N 463.748 5.755 50 10 JKGE Cc1cc(C=NNC(=O)CSCc2cccc(Cl)c2)c(C)n1-c1ccc(Br)cc1 1084136567 JVKNVYIJBUVTDV-UHFFFAOYSA-N 490.854 5.894 50 10 JKGE CCOc1ccc(C(=O)NN=Cc2ccc(OCc3ccc(Cl)cc3Cl)c(OCC)c2)cc1 1084246472 QSBDONQLXNMTIA-UHFFFAOYSA-N 487.383 6.134 50 10 JKGE C#CCOc1c(Br)cc(/C=C(\C#N)C(=O)Nc2cccc(Cl)c2Cl)cc1OC 1084258847 JWLUOTMCZZWHFB-MDWZMJQESA-N 480.145 5.322 50 10 JKGE COc1ccc(Br)cc1C=NNC(=O)COc1ccc(C(C)(C)c2ccccc2)cc1 1084322995 OGLGHDBDUDRWCA-UHFFFAOYSA-N 481.390 5.313 50 10 JKGE CCOc1ccc([C@H](O)CCC(=O)NN=Cc2ccc(-c3cc(Cl)ccc3Cl)o2)cc1 1084330184 VWRXYZOYAJNTMF-OAQYLSRUSA-N 461.345 5.616 50 10 JKGE O=C(NN=Cc1cccc(OCc2ccc(Cl)cc2Cl)c1)C(c1ccccc1)c1ccccc1 1084606695 WACSTEZTRBJAKF-UHFFFAOYSA-N 489.402 6.855 50 10 JKGE Cc1c(C(=O)Nc2ccc(Br)cc2)oc2c1C(=NNC(=O)c1ccccc1F)CCC2 1772744518 VXJIPWPYRVDJTR-UHFFFAOYSA-N 484.325 5.212 50 10 JKGE Cc1c(C(=O)Nc2cc(C(F)(F)F)ccc2Cl)oc2c1C(=NNC(=O)c1cccnc1)CCC2 1772745865 LTVSAJICHYNDGC-UHFFFAOYSA-N 490.869 5.378 50 10 JKGE N#CC1=C(N)Oc2c(c(C(F)(F)F)nn2-c2ccccc2Cl)[C@H]1c1ccc(Cl)cc1Cl 1865685415 IJLJIWGSTQARGN-HNNXBMFYSA-N 485.680 6.069 50 10 JKGE CCCn1nc(-c2ccc(OC)cc2)c2c1OC(N)=C(C#N)[C@@H]2c1c(OC)ccc2ccccc12 1865687875 CBZCDZMJJDCEQQ-XMMPIXPASA-N 466.541 5.349 50 10 JKGE CCCc1nn(Cc2ccccc2)c2c1[C@@H](c1ccc(OCc3ccc(C)cc3)cc1)C(C#N)=C(N)O2 1865694599 ZUWZSZPQCMMVSF-NDEPHWFRSA-N 490.607 5.990 50 10 JKGE Cc1nc(-c2ccc(Cl)c(Cl)c2)ccc1C(=O)NNC(=O)CCCc1ccc(Cl)cc1 1865759248 PWWXVJZIJZAEOT-UHFFFAOYSA-N 476.791 5.801 50 10 JKGE CCCC[C@@H](NC(=O)Cc1nc(-c2ccc(OC)cc2)oc1C)C(=O)Nc1ccc(SC#N)cc1 1866677188 KXXSAAVWMUTTJF-JOCHJYFZSA-N 492.601 5.088 50 10 JKGE Cc1ccc(-c2nc(Nc3ccc(SC#N)cc3)cc(N3CCO[C@@H](c4ccccc4)C3)n2)cc1 1868320626 MLRKYXKJTKDUEL-RUZDIDTESA-N 479.609 6.347 50 10 JKGE Cc1ccc(-c2nc(Nc3ccc(SC#N)cc3)cc(N3C[C@@H](C)Cc4ccccc43)n2)cc1 1868320842 PMMWCZVXNLCAKU-FQEVSTJZSA-N 463.610 7.099 50 10 JKGE Cc1ccc(C)c(-c2csc(/C(C#N)=C(\O)CNC(=O)c3ccc(Cl)cc3Cl)n2)c1 1872749822 JUQSZZHZIMXHBU-JZJYNLBNSA-N 458.370 5.956 50 10 JKGE CC(C)c1csc(/C(C#N)=C(\O)c2cccc(N3COc4ccc5ccccc5c4C3)c2)n1 1872750882 SBKJXXIDOKXSCR-ROMGYVFFSA-N 453.567 6.726 50 10 JKGE CCCCCCCOc1ccc(-c2csc(/C(C#N)=C(\O)Cc3ccccc3OC)n2)cc1 1872753169 KFTYBSVLFGPYJF-BZZOAKBMSA-N 462.615 7.203 50 10 JKGE COc1cc(OC)cc(/C(O)=C(\C#N)c2nc(-c3cc(Cl)c(OC)c(Cl)c3)cs2)c1 1872755996 PPPNRZRVUFKGRD-CYVLTUHYSA-N 463.342 6.093 50 10 JKGE COc1cc(/C=C(\C#N)c2nc(-c3ccc([N+](=O)[O-])cc3)cs2)ccc1OCCCc1ccccc1 1872784124 DHJDEHRMHJIYPH-XQNSMLJCSA-N 497.576 6.803 50 10 JKGE COc1cc(/C=C(\C#N)c2nc(-c3ccccc3)cs2)ccc1OCc1c(Cl)cccc1Cl 1872789983 CJTRRMHGIFJWKD-XDHOZWIPSA-N 493.415 7.769 50 10 JKGE Cc1ccc(C(C)(C)C)cc1-c1csc(/C(C#N)=C/c2ccc(OCc3ccccc3)cc2)n1 1872794369 XNSJNGINXLOBMD-LFVJCYFKSA-N 464.634 8.059 50 10 JKGE CCCOc1ccc(-c2csc(/C(C#N)=C(\O)COc3ccccc3OCC)n2)cc1OCCC 1872818079 LXLGQJDFPREZTB-XDOYNYLZSA-N 494.613 6.658 50 10 JKGE C[C@@H]1OCC[C@@H]1[C@@H](Br)c1c(Br)sc(Br)c1Br 1894271271 UGLGQDDOVAKJRD-KZLJYQGOSA-N 497.872 5.897 50 10 JKGE O=C(c1ccc(OCc2ccccc2)cc1)N(Cc1ccccc1)[C@H](CBr)C1CC1 1915315821 YSZCMPOKVQMXPD-RUZDIDTESA-N 464.403 6.082 50 10 JKGE Cn1cc([C@@H](Br)c2sc(Br)cc2Br)nc1Br 1922889001 UISQRYWRCGAOAZ-SSDOTTSWSA-N 493.844 5.253 50 10 JKGE CC(C)C(C(C)C)[C@H](Br)c1c(Br)sc(Br)c1Cl 1923047436 BJTAVASHHKSQHQ-VIFPVBQESA-N 467.492 7.291 50 10 JKGE Clc1c(Br)sc(Br)c1[C@H](Br)[C@@H]1CC[C@H]2C[C@H]2CC1 1923068461 RUDJOUIVUQSMLT-IBCQBUCCSA-N 477.487 7.189 50 10 JKGE Clc1c(Br)sc(Br)c1[C@@H](Br)c1ccc2ccccc2c1 1923070758 DJSOOKJTHZQKPS-LBPRGKRZSA-N 495.461 7.564 50 10 JKGE C[C@@H]1[C@H]([C@H](Br)c2c(Br)sc(Br)c2Cl)C1(F)F 1923073898 CUGXOEFJFALOLF-WITFEUSKSA-N 459.375 6.264 50 10 JKGE C[C@]1([C@@H](Cl)c2c(Br)sc(Br)c2Br)CCCO1 1924579328 DBBWSMBBSZQLTP-OIBJUYFYSA-N 453.421 5.885 50 10 JKGE Cn1nc([C@H](Br)c2c(Cl)sc(Br)c2Cl)c(Cl)c1Cl 1925552797 GJYWDFJCBZNYJU-GSVOUGTGSA-N 473.832 6.342 50 10 JKGE Clc1cc([C@@H](Br)c2sncc2Br)sc1Br 1928068707 PSQGGHCZYZKJCV-ZCFIWIBFSA-N 452.418 5.867 50 10 JKGE C[C@H](Cl)c1nc2cncc(Br)c2n1CCCN(Cc1ccccc1)Cc1ccccc1 1946434769 NTOZLNVDWJGVLV-IBGZPJMESA-N 497.868 6.586 50 10 JKGE Cc1cc(Br)sc1[C@H](Br)c1cc(Cl)ccc1Br 1950207862 LJNCDNCJZMRBNN-LLVKDONJSA-N 459.428 6.719 50 10 JKGE Cn1cc([C@@H](Br)c2cc(Br)c(Br)s2)c(Br)n1 1981646739 OHUUEYSTOLZISC-SSDOTTSWSA-N 493.844 5.253 50 10 JKGE Cc1nn(C)c(Br)c1[C@H](Br)c1sc(Cl)cc1Br 2013205324 RUSKKGZFCZZJFI-QMMMGPOBSA-N 463.420 5.453 50 10 JKGE CCc1cc(Br)c([C@H](Br)c2ccc(Br)cc2Cl)s1 2029232473 IYHHOQBKJSKKSW-GFCCVEGCSA-N 473.455 6.973 50 10 JKGE CN(C(=O)c1csc(Br)c1Br)[C@H]1CCCC[C@@H]1Br 2032954167 XZYMBVCPMCPONB-IUCAKERBSA-N 460.029 5.051 50 10 JKGE COc1ccc([C@@H](Br)c2cc(Br)sc2C)c(Br)c1 2034561930 NNTXTVDEPBLAGU-CYBMUJFWSA-N 455.009 6.074 50 10 JKGE Clc1c(Br)sc(Br)c1[C@H](Br)[C@@H]1CO[C@@H]2COC[C@H]21 2040325938 OARGABZSDCMOPS-LENIQADQSA-N 481.431 5.024 50 10 JKGE FC1(F)CCC[C@@H]2[C@H]([C@H](Br)c3cc(Br)c(Br)s3)[C@H]21 2051240138 FCOXZWNRENTCAA-MYMYLCHPSA-N 464.995 6.391 50 10 JKGE CO[C@@H]1CCC[C@H]([C@@H](Br)c2sc(Br)c(C)c2Br)C1 2062719985 ZUAWOZINFGSSDX-IQJOONFLSA-N 461.057 6.223 50 10 JKGE COc1ccc([C@H](Cl)c2cccc(Br)c2Br)c(Br)c1 2092329222 TYZBCGCKXSCQRK-AWEZNQCLSA-N 469.398 6.311 50 10 JKGE Brc1cccc(Br)c1CN1CC[C@H]2CC[C@H](Br)[C@H]1C2 2094087645 BSAHGFYZKAOZII-WKPIXPDZSA-N 452.028 5.350 50 10 JKGE Cc1cc(Br)c([C@H](Br)C2CC3(CCOC3)C2)cc1Br 2095644647 MPVJJGBMKKPLPV-CIQACWJJSA-N 453.012 5.773 50 10 JKGE Brc1cc([C@@H](Br)[C@@H]2CC3(CCCCC3)CO2)sc1Br 2109978154 CRVSQRRNYJDCDE-JQWIXIFHSA-N 473.068 6.449 50 10 JKGE C[C@H]1CO[C@@H](CC(CBr)(CBr)c2ccccc2Br)C1 2110069500 YKFKQIREHZIUBH-VXGBXAGGSA-N 455.028 5.292 50 10 JKGE Fc1ccccc1[C@@H](CBr)Cc1cc(Br)ccc1Br 2118525131 QQGWYIINJDWOPG-LLVKDONJSA-N 450.971 6.072 50 10 JKGE Cc1cc2sc([C@H](Br)c3ccc(Br)cc3Br)cc2s1 2138862278 JEJQZUKOZKPIBA-CQSZACIVSA-N 481.072 7.281 50 10 JKGE Cl[C@@H](c1ccc(CC2CC2)s1)c1ccc(Br)cc1I 2142276777 HWDZQHIWWVWKCT-OAHLLOKOSA-N 467.597 6.396 50 10 JKGE BrC[C@@H]1CN(Cc2ccc(Br)cc2Br)CCC12CCC2 2151655536 LPUHNRZZOJGGDD-CYBMUJFWSA-N 466.055 5.599 50 10 JKGE C[C@H](Cl)c1nc2cc(Br)c(Cl)cc2n1[C@H]1CCN(Cc2ccccc2)[C@H]1C 2160085216 ZSJMBTBRHOUWCO-NJSLBKSFSA-N 467.238 6.588 50 10 JKGE CCC(CC)(CBr)CN(C1CC1)[C@H](CCNC(=O)OC(C)(C)C)C(F)(F)F 2163062239 KMDGLPCWLCBJHM-OAHLLOKOSA-N 459.391 5.498 50 10 JKGE O=C(NC[C@@H]1CCCC[C@H](Br)C1)c1cccc(Br)c1Br 2163752642 AWMKPNIPDZYXTB-MNOVXSKESA-N 468.027 5.285 50 10 JKGE CO[C@@H]1C[C@H]([C@H](Br)c2cc(Br)c(C)cc2Br)C12CCC2 2190382132 YYYKQJJIXTVQHF-KCPJHIHWSA-N 467.039 6.161 50 10 JKGE COc1cc2c(cc1Br)nc([C@@H](C)Cl)n2C(C)(C)COCc1ccccc1 2202311953 MFVVXHIFYMQUTL-CQSZACIVSA-N 451.792 6.059 50 10 JKGE COc1cc(Cl)c([C@H](Br)c2nn(C)c(Cl)c2Cl)cc1Br 2202363349 GKCYSBKTBBHGHQ-VIFPVBQESA-N 463.384 5.636 50 10 JKGE Cc1c(Br)ccc([C@H](Br)C(C)(C)c2ccccc2)c1Br 2203684758 ICKBPVGXODEBEF-INIZCTEOSA-N 461.035 6.934 50 10 JKGE COc1c(Br)cc(C)cc1[C@@H](Br)Cc1ccccc1Br 2203828903 HQVPNAYDXTWBFM-AWEZNQCLSA-N 463.007 6.207 50 10 JKGE Br[C@@H](c1ccc(I)cc1)c1ccc(-c2ccccc2)s1 2206131000 PEDIYIZLMQRLBT-KRWDZBQOSA-N 455.158 6.504 50 10 JKGE C[C@@H](Br)[C@H](C)c1sc(Br)c(Br)c1Br 2209349845 UQTNAPHUKYPNFG-IUYQGCFVSA-N 455.835 5.923 50 10 JKGE Cc1sc(Br)c(C)c1[C@H](Cl)c1cc(Br)c(Br)s1 2213636341 KYBSHDDHUXKDBM-SECBINFHSA-N 479.484 7.042 50 10 JKGE Fc1cc(Br)c(Br)cc1[C@H](Br)c1cc(Cl)cc(Cl)c1 2225634699 QKDVDFPRHUKWIH-CYBMUJFWSA-N 491.807 7.142 50 10 JKGE COc1ccc([C@H](Cl)c2cc(C)ccc2I)c(Br)c1 2232222249 HKNJZPOUVGBKRS-HNNXBMFYSA-N 451.529 5.699 50 10 JKGE CCOCc1cc(Br)c([C@H](Br)Cc2ccc(Br)cc2)s1 2233023205 QWUJBLJCJXSWHI-CYBMUJFWSA-N 483.063 6.488 50 10 JKGE CO[C@@H]1CC([C@H](Br)c2cc(Br)c(Br)cc2F)C[C@H]1OC 2233975965 MOSMDPZSEVTBGN-MCIONIFRSA-N 474.990 5.227 50 10 JKGE Cc1cc(Br)c([C@H](Br)c2cccc(Cl)c2C)c(C)c1Br 2235607178 YKTOHMWBEQRHAM-MRXNPFEDSA-N 481.453 7.275 50 10 JKGE CCc1sc(Br)cc1[C@@H](Br)c1cc(F)c(Br)cc1F 2267243314 UXXWZEXFDPZMCA-ZDUSSCGKSA-N 474.990 6.598 50 10 JKGE COc1ccc([C@H](Br)c2csc(Cl)c2OC)cc1I 2269555593 XRQREFLGNCDGEA-NSHDSACASA-N 473.557 5.508 50 10 JKGE COc1ccc([C@H](Br)CC(F)(F)C(F)(F)F)cc1I 2269557148 SSEYCWWSMZXNMT-SSDOTTSWSA-N 458.990 5.324 50 10 JKGE C[C@@H]1CCC[C@@H]([C@@H](Br)c2c(F)cc(Br)c(F)c2Br)O1 2272721770 LTWPKRHXBCBWSL-OUAIYISWSA-N 462.954 5.883 50 10 JKGE Fc1cccc(Br)c1C[C@@H](CBr)Cc1cccc(Br)c1 2289527496 ISSXKJMMVJFMQE-LBPRGKRZSA-N 464.998 6.147 50 10 JKGE COc1cc(OC)c([C@H](Br)c2scc(Cl)c2Cl)cc1Br 2295432715 LBSBNAVFUCAYQQ-NSHDSACASA-N 461.002 6.319 50 10 JKGE COc1ccc(-c2csc(C(C#N)=Cc3ccc(OCc4ccccc4)c(OC)c3)n2)cc1 2296048072 WYZCWOBPCBDHOX-UHFFFAOYSA-N 454.551 6.470 50 10 JKGE Cc1ccc(C[C@@H]2SC(=C(C#N)C(=O)NCc3ccccc3)N(c3ccccc3)C2=O)cc1C 2296507134 UWQAUBASAGTUEK-VWLOTQADSA-N 467.594 5.046 50 10 JKGE CCOC(=O)c1c(NC=C(C#N)c2nc(-c3ccc([N+](=O)[O-])cc3)cs2)sc(C(C)=O)c1C 2296943341 MROIFDSLBMGLLA-UHFFFAOYSA-N 482.543 5.444 50 10 JKGE N#CC(=Cc1ccccc1-n1cncn1)C(=O)Nc1ncc(Cc2cc(Cl)ccc2Cl)s1 2297493510 MEEOBSSTPRZDRO-UHFFFAOYSA-N 481.368 5.167 50 10 JKGE N#CC(=Cc1ccc(OCc2ccccc2)c(Br)c1)C(=O)Nc1ccc([N+](=O)[O-])cc1 2297551651 WZPFKSLNLYGYPG-UHFFFAOYSA-N 478.302 5.482 50 10 JKGE CC[C@@H](CC(C)C)[C@H](Br)c1cc(Br)ccc1OCc1ccccc1 2299501666 QDKRKPCWIRUHOC-UWJYYQICSA-N 454.246 7.536 50 10 JKGE C[C@@H]1C[C@H]([C@@H](Br)c2ccc(OCc3ccccc3)cc2Br)CCO1 2299532356 GCRODLNTBGAGDK-AKCHCHLHSA-N 454.202 6.279 50 10 JKGE CCCOc1c(I)cc(C=C(C#N)C(=O)Nc2ccc(C)cc2C)cc1OC 2313518109 JPBKCBGLGWEKMZ-UHFFFAOYSA-N 490.341 5.251 50 10 JKGE Cc1ccc(NC(=O)C(C#N)=C2C(=O)N(Cc3ccccc3)c3ccc(Br)cc32)cc1 2313638082 YDUKTVYNJROMES-UHFFFAOYSA-N 472.342 5.220 50 10 JKGE C[C@H]1Oc2ccccc2C=C1C=C(C#N)c1nc(-c2ccccc2)c(NC(=O)c2ccco2)s1 2314433563 PASZMPXXNYWERW-QGZVFWFLSA-N 465.534 6.427 50 10 JKGE Brc1ccc(OCc2ccccc2)c([C@H](Br)[C@@H]2CO[C@@H]3COC[C@@H]32)c1 2314454297 FLFLDIYMBAIFLZ-LFGUQSLTSA-N 468.185 5.126 50 10 JKGE COc1ccc(C(C#N)=Cc2ccc(-n3nc(-c4ccccc4)cc3-c3ccccc3)cc2)cc1OC 2314482903 ZAFUFNWOOGJULT-UHFFFAOYSA-N 483.571 7.288 50 10 JKGE N#CC(=Cc1ccc(-c2ccc(Cl)c(Cl)c2)o1)C(=O)Nc1ccc(C(F)(F)F)c(Cl)c1 2314572359 ZEBPWXGNTOUJQH-UHFFFAOYSA-N 485.676 7.471 50 10 JKGE C=CCN1C(=O)C(=Cc2cn(-c3ccccc3)nc2-c2ccc(OC(C)C)cc2C)C(C)=C(C#N)C1=O 2314616977 OGNCUATYTZEZGL-UHFFFAOYSA-N 492.579 5.413 50 10 JKGE COc1cc(C=C2C(=O)N(Cc3ccc(F)cc3)C(=O)C(C#N)=C2C)ccc1OCc1ccc(C)cc1 2314620213 MQZMGDBYUQSAGX-UHFFFAOYSA-N 496.538 5.514 50 10 JKGE CCc1ccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)C=Cc4ccc(Cl)cc4)ccc32)cc1 2314634347 GGLJEPPNQIDQCV-AREMUKBSSA-N 456.929 5.739 50 10 JKGE Fc1c(Br)cc(Cl)c([C@@H](Br)[C@H]2CCCOC2)c1Br 2315457373 BRWAPIQULVNWEF-WKEGUHRASA-N 465.382 5.867 50 10 JKGE CCCc1sc(Br)cc1[C@@H](Cl)c1cccc(I)c1 2316172217 RHLDOPPATIHAKV-AWEZNQCLSA-N 455.586 6.396 50 10 JKGE Cc1nc(-c2ccc(Cl)cc2Cl)ccc1C(=O)NN=Cc1ccc(C(F)(F)F)cc1 2321242166 DPZOBJHHZXGYKB-UHFFFAOYSA-N 452.263 6.147 50 10 JKGE CC[C@@H](NC(=O)C(C#N)=CNCc1ccc(Br)cc1)c1ccc2c(c1)CCCC2 2325092894 GVPKSIQTVWBGKF-HSZRJFAPSA-N 452.396 5.092 50 10 JKGE COc1ccc(C)cc1-c1csc(C(C#N)=C(O)[C@@H](C)Oc2ccc(Cl)cc2Cl)n1 2331324320 JSOFCTKIQCELOV-CYBMUJFWSA-N 461.370 6.694 50 10 JKGE COc1ccc(OC)c(-c2csc(C(C#N)=C(O)COc3ccc(Cl)cc3Cl)n2)c1 2331325991 MCBWDCKTJQUCMW-UHFFFAOYSA-N 463.342 6.006 50 10 JKGE COc1ccc(-c2csc(C(C#N)=C(O)[C@H](C)Oc3ccc(Cl)cc3Cl)n2)c(C)c1C 2331362758 LKTOKRYEYTWWBC-AWEZNQCLSA-N 475.397 7.003 50 10 JKGE Cc1cc(C)c(C)c(-c2csc(C(C#N)=C(O)c3ccc4c(c3)C(=O)N(C(C)(C)C)C4=O)n2)c1C 2331364461 FKJVTNINYQJVKD-UHFFFAOYSA-N 485.609 6.388 50 10 JKGE CCOc1ccc(OCC)c(-c2csc(C(C#N)=C(O)COc3ccccc3OC)n2)c1 2331376761 RLJXEARSJZYODO-UHFFFAOYSA-N 452.532 5.488 50 10 JKGE N#CC(=Cc1ccccc1OCc1ccccc1Cl)c1nc(-c2ccccc2Cl)cs1 2331430504 BRJWDMVXTYHGMP-UHFFFAOYSA-N 463.389 7.760 50 10 JKGE COc1ccc(-c2csc(C(C#N)=Cc3ccc(OC(=O)c4ccccc4)c(OC)c3)n2)c(OC)c1 2331473320 NQULGKCNTJQJDC-UHFFFAOYSA-N 498.560 6.119 50 10 JKGE Cc1ccc(C(C)(C)C)cc1-c1csc(C(C#N)=Cc2ccc(OCc3ccccc3)cc2)n1 2331478698 XNSJNGINXLOBMD-UHFFFAOYSA-N 464.634 8.059 50 10 JKGE Brc1ccc(OCc2ccccc2)c([C@H](Br)[C@H]2CCCCC23CCC3)c1 2336054499 SHCZYWJQEQRKJL-IRLDBZIGSA-N 478.268 7.825 50 10 JKGE COc1cc([C@@H](Br)c2cc(Br)ccc2OCc2ccccc2)ccc1F 2336074080 BSWRPUCPQZSBIF-OAQYLSRUSA-N 480.171 6.660 50 10 JKGE Fc1c(Br)cc(Cl)c([C@@H](Br)[C@@H]2C[C@H]2C2CCC2)c1Br 2337105994 DCCSGCOZNIPWKC-SXMVTHIZSA-N 475.421 6.876 50 10 JKGE FC1(F)C[C@]12CCC[C@H]([C@@H](Br)c1sc(Cl)cc1I)C2 2338560483 LXRZNESHHWQBKR-HNBZJPLGSA-N 481.571 6.658 50 10 JKGE Cc1cc(F)c(F)cc1[C@@H](Br)c1c(Br)c(Br)nn1C 2338719420 HTDBQHGXRRAMGD-SECBINFHSA-N 458.926 5.016 50 10 JKGE CC(C)(C)C1CCC(CBr)(Cc2sccc2I)CC1 2338730061 NCUILENYPRXLFT-UHFFFAOYSA-N 455.243 6.513 50 10 JKGE COc1cc(CBr)cc(Oc2ccc(Br)cc2Br)n1 2339290849 LZTOVBHESSMMGR-UHFFFAOYSA-N 451.940 5.302 50 10 JKGE Cc1cc(Br)c(F)c(Br)c1[C@@H](Br)C[C@H]1CCC1(F)F 2339690175 SPOXCSJZOUDENK-SFYZADRCSA-N 464.945 6.531 50 10 JKGE Clc1ccc(CN2[C@H]3CCC[C@H]2CC(Br)C3)c(I)c1 2341050875 OKLKDRYCRUVJTG-KBPBESRZSA-N 454.577 5.225 50 10 JKGE CCOc1ccc([C@H](Br)c2csc(Br)c2Br)c(F)c1 2341733309 PLCPMBSPPQIYLX-NSHDSACASA-N 472.999 6.295 50 10 JKGE ClCc1cc(Cl)ccc1OCc1cc(I)ccc1Br 2341781374 VOGSWUXDBXJMPH-UHFFFAOYSA-N 471.947 6.025 50 10 JKGE C[C@@H](c1ccncc1F)[C@@H](Br)c1cc(Br)cc(Br)c1 2344692326 LGXAMSKSMVXAKS-RMLUDKJBSA-N 451.959 5.985 50 10 JKGE CS(=O)(=O)[C@H]1C[C@H]([C@@H](Br)c2c(F)cc(Cl)c(Br)c2Cl)C1 2360416634 AIZXTYXJHOAZOY-OXOINMOOSA-N 468.997 5.154 50 10 JKGE Fc1c(Br)cc(Cl)c([C@@H](Br)C(F)(F)C2CCCC2)c1Br 2362231967 IFAKHERBXSKOQW-GFCCVEGCSA-N 499.390 7.266 50 10 JKGE Fc1c(Br)cc(Cl)c([C@H](Cl)[C@@H]2[C@H]3CCC(F)(F)[C@H]32)c1Br 2362233113 WNVHXXWIERJQSH-VFGOMAFISA-N 452.923 6.575 50 10 JKGE C[C@H]1O[C@@]2([C@H](Br)c3c(Cl)cc(Br)c(F)c3Br)CC[C@H]1C2 2362233371 ZRQCHVATWDMAPV-JRXORCGPSA-N 491.420 6.398 50 10 JKGE CC1(C)CCCC[C@@H]1[C@@H](Br)c1c(Cl)cc(Br)c(F)c1Br 2362254078 KSTKTFWHRATDLW-PRHODGIISA-N 491.464 7.657 50 10 JKGE Cc1cc(Br)c(F)c(Br)c1[C@H](Br)[C@@H]1[C@H]2CCC(F)(F)[C@H]21 2365222785 HAJGFPQOSUFSCD-JBRWXDEYSA-N 476.956 6.386 50 10 JKGE Cc1cccc([C@@H](CBr)OCc2c(Br)cccc2Br)c1 2366183372 VBVOULTZNAGTRP-MRXNPFEDSA-N 463.007 6.173 50 10 JKGE CC1(C)CCC(C)(C)[C@H](Cc2ccc(Cl)cc2I)[C@@H]1Br 2366729283 JZBBGCYLXUEWMX-HIFRSBDPSA-N 469.632 6.713 50 10 JKGE C[C@@H]1CC[C@@H](C(C)(C)Cc2ccc(I)c(Br)c2)[C@H](Cl)C1 2377295470 SRYAZVYYEIRUPK-UXIGCNINSA-N 469.632 6.666 50 10 JKGE CC(C)COc1nc(-c2cccc(C(F)(F)F)c2)n(-c2ccc(NC(=O)C(Cl)Cl)cc2)n1 698452 SQQKMBOPFFXARY-UHFFFAOYSA-N 487.309 5.730 50 10 JKGE Cc1ccc([C@H](C(=O)NC2CCCCCC2)N(Cc2ccccc2Cl)C(=O)CCl)cc1 3038845 COPAXKZINDRCEB-XMMPIXPASA-N 461.433 5.796 50 10 JKGE CCCOc1ccccc1/C=C(\C#N)C(=O)Nc1scc(-c2ccc(C)cc2)c1C(=O)OCC 33346506 GSQHDGNSFORMRQ-RCCKNPSSSA-N 474.582 6.235 50 10 JKGE Cc1cc(-c2nn(-c3ccccc3)cc2/C=C(\C#N)C(=O)NCc2ccccc2)ccc1OC(C)C 33625364 UJPUMTQZDCOQLG-KOEQRZSOSA-N 476.580 5.858 50 10 JKGE N#CC1=C(N)OC2=C(CN(Cc3ccccc3)C/C2=C/c2cccc(F)c2)[C@@H]1c1cccc(F)c1 35342734 XGLGJCHXVFCTJP-VKGKTOGESA-N 467.519 5.626 50 10 JKGE CCCOc1cccc(-c2nn(-c3ccccc3)cc2/C=C(/C#N)C(=O)NC2CCCCC2)c1 35446601 PDNANEFXVRXOLR-XLNRJJMWSA-N 454.574 5.684 50 10 JKGE CCCCOc1ccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4cccc(OCCC)c4)ccc32)cc1 38650852 GQWQWDTVPGJLMB-NDEPHWFRSA-N 498.579 6.092 50 10 JKGE COC(=O)c1c(NC(=O)/C(C#N)=C/c2ccc(-c3cccc(Cl)c3)o2)sc2c1CCCC2 39884912 ZZZXMEDOLFWXJA-NTCAYCPXSA-N 466.946 5.873 50 10 JKGE Cc1ccccc1NC(=O)c1oc2c(c1C)/C(=N/NC(=O)c1ccccc1Br)CCC2 40812919 XMUUAZHFMUWJRA-ZXVVBBHZSA-N 480.362 5.382 50 10 JKGE C=CCc1cc(/C=N\NC(=O)CC[C@@H](O)c2ccc(OCC)cc2)ccc1OCc1cccc(F)c1 58895089 CGUXWSLVRREJKD-VGBOAXCZSA-N 490.575 5.496 50 10 JKGE C=CCc1cc(/C=N\NC(=O)CC[C@@H](O)c2ccc(OCC)cc2)ccc1OCc1ccc(C)cc1 58895098 NCGHMPCDFSRUTF-JGFAXXQYSA-N 486.612 5.665 50 10 JKGE Cc1cccc(NC(=O)N/N=C/c2cc(Br)c(Sc3ccc(Cl)cc3)o2)c1 59249175 ROVPTSZIGRWRCR-SSDVNMTOSA-N 464.772 6.311 50 10 JKGE C=CCc1cc(/C=N/NC(=O)c2cc(-n3c(C)ccc3C)ccc2Cl)cc(OCC)c1O 59679158 LMEDZAFUGCAUMK-JFLMPSFJSA-N 451.954 5.344 50 10 JKGE COc1ccc([C@H](C(=O)NC2CCCCC2)N(C(=O)CCl)c2ccc(OC)c(Cl)c2)cc1 66156738 HHWXSHYJTGUMDO-HSZRJFAPSA-N 479.404 5.119 50 10 JKGE Brc1ccc([C@@H](Br)c2ccc(I)cc2)cc1 71094523 KFBAHWBCEMRMTF-CYBMUJFWSA-N 451.927 5.538 50 10 JKGE COC(=O)c1cc(-c2ccccc2)sc1NC(=O)/C(C#N)=C\c1c[nH]nc1-c1ccc(F)cc1 96438540 JVXDNYVBJBENGY-BOPFTXTBSA-N 472.501 5.277 50 10 JKGE C1=C[C@@H]2C[C@@H]1[C@@H](P(c1ccccc1)c1ccccc1)[C@@H]2P(c1ccccc1)c1ccccc1 100059844 CDJHPMXMJUCLPA-KWINWIPXSA-N 462.513 6.195 50 10 JKGE CCOC(=O)c1c(N/C=C(\C#N)c2nc(-c3ccc(Cl)c(Cl)c3)cs2)sc(C)c1C 102924722 CJHQRKMPNKUXNN-NTEUORMPSA-N 478.426 6.949 50 10 JKGE Brc1ccc(Br)c([C@H](Br)c2csc3ccccc23)c1 104036463 HSUIGBZNAKVOFV-HNNXBMFYSA-N 461.016 6.911 50 10 JKGE C[C@H](Cl)c1nc2ccc(Br)cc2n1-c1ccc(I)cc1 115769925 DNBNFOAFWQZPDO-VIFPVBQESA-N 461.528 5.692 50 10 JKGE Cc1c(Br)cccc1[C@H](Cl)c1cc(Br)c(Br)s1 128152086 HMSHXIHJNYUFOP-NSHDSACASA-N 459.428 6.672 50 10 JKGE c1ccc(P(C[C@@H]2CCCN2P(c2ccccc2)c2ccccc2)c2ccccc2)cc1 142187166 QOXHILHNCWCKHN-VWLOTQADSA-N 453.506 5.632 50 10 JKGE Fc1cc2nc(CCCl)n(Cc3cc(Br)cs3)c2cc1Br 158639819 BYDRLMHKMWCVFS-UHFFFAOYSA-N 452.574 5.592 50 10 JKGE COc1c(Cl)cc(/C=N\NC(=O)c2nc(-c3ccccc3)sc2C)c(OC)c1Cl 169927277 ZJUJPYRDQFLASL-RMORIDSASA-N 450.347 5.206 50 10 JKGE COC(=O)c1ccc(C#CCC[C@@H](N)[C@H](O[Si](C)(C)C(C)(C)C)c2ccc(Cl)nc2)cc1 218780431 ODMREGULDAJNND-FYYLOGMGSA-N 473.089 5.744 50 10 JKGE C[C@@H]1CCCC[C@@H]1NC(=O)[C@H](c1ccccc1Cl)N(Cc1ccc2c(c1)OCO2)C(=O)CCl 230275245 OXBNZVGDKMBCLD-NKNQFRNOSA-N 491.415 5.072 50 10 JKGE COc1ccc([C@@H](Cl)c2cc(Cl)ccc2I)cc1Br 234978314 ZXYXEKMOELEKFT-CQSZACIVSA-N 471.947 6.044 50 10 JKGE C[C@H]1C[C@@H](Oc2c(Br)cc(Br)cc2CBr)CC[C@H]1C 311647768 SVSLUJNQTWFVNG-NRUUGDAUSA-N 455.028 6.310 50 10 JKGE Fc1ccc([C@@H]2CN(Cc3ccccc3)C[C@H]2CI)cc1Br 382721286 NOXLEVLBIRJILN-CVEARBPZSA-N 474.155 5.239 50 10 JKGE CC(C)(C)OC(=O)N1C[C@H](c2cc(Cl)cc(Cl)c2O)[C@@H](CI)C1 382727107 RDLPWMADKAPYID-CABZTGNLSA-N 472.150 5.085 50 10 JKGE BrCc1cc(Br)cc(Br)c1OCCc1ccsc1 385537749 SWUQPVQXCVPOFW-UHFFFAOYSA-N 455.009 5.790 50 10 JKGE CC(C)(C)OC(=O)NCCN1CCOCC[C@@H]1c1cccc(CCO[Si](C)(C)C(C)(C)C)c1 616657121 MHXMJBCZLUNZLL-HSZRJFAPSA-N 478.750 5.539 50 10 JKGE CC(C)(C)c1cccc([C@@H](Br)c2cc(Br)ccc2Br)c1 691650856 KTKIUFFUCDNSEH-MRXNPFEDSA-N 461.035 6.993 50 10 JKGE C[C@@H]1CC[C@@](C)([C@@H](Br)c2cc(Br)ccc2Br)C1(C)C 699132434 YTAGIBJICRAFJB-OOVXXXAESA-N 453.056 7.110 50 10 JKGE CO[C@](C)(COCc1ccccc1)Cn1c(CCCl)nc2cc(I)ccc21 702782829 FTGKIKWVQGSDAW-NRFANRHFSA-N 498.792 5.044 50 10 JKGE CO[C@](C)(COCc1ccccc1)Cn1c([C@H](C)Cl)nc2cccc(Br)c21 702790046 NBWYEDJHPDBBMH-BTYIYWSLSA-N 451.792 5.721 50 10 JKGE COc1ccc([C@@H](Cl)c2cccc(F)c2I)c(Br)c1 721694213 XKCAFERSEBORJC-CYBMUJFWSA-N 455.492 5.530 50 10 JKGE Cc1cc(C=NNC(=O)[C@@H](C)SCc2ccccc2)c(C)n1-c1cccc(Cl)c1Cl 1083999868 PHFCQGANDKRSKY-QGZVFWFLSA-N 460.430 6.173 50 10 JKGE Cc1cc(/C=C(\C#N)C(=O)Nc2cccc(Cl)c2Cl)c(C)n1-c1ccc([N+](=O)[O-])c(Cl)c1 1084457406 DBSSERYNEDBCNM-OQLLNIDSSA-N 489.746 6.508 50 10 JKGE Clc1nc2ccccc2cc1[C@H]1CN(Cc2ccccc2)C[C@@H]1CI 1614690392 DWSXYZFZDVCXBP-HKUYNNGSSA-N 462.762 5.539 50 10 JKGE Cc1ccc2cccc(OC(=O)c3oc4c(c3C)C(=NNC(=O)c3ccoc3C)CCC4)c2n1 1772750191 ZGHBEAQOTMWZFI-UHFFFAOYSA-N 457.486 5.036 50 10 JKGE CCc1ccccc1OCC(=O)NN=Cc1cc(Br)c(OCc2ccccc2)c(OC)c1 1772753407 BQHQEMHTNRRQBC-UHFFFAOYSA-N 497.389 5.128 50 10 JKGE COc1cc(C=NNC(=O)COc2cccc(C)c2C)cc(Br)c1OCc1ccccc1 1772753414 CQJDGZCCZABXBV-UHFFFAOYSA-N 497.389 5.183 50 10 JKGE O=C(CSc1ccc(Cl)cc1)NN=Cc1cc(Br)ccc1OCc1ccccc1 1772755696 CWZPBWMSUMKGIT-UHFFFAOYSA-N 489.822 5.924 50 10 JKGE CC[C@@H](Oc1cccnc1NC(=O)Nc1ccc(SC#N)cc1)C(=O)OCc1ccccc1 1858854232 AFYHJWWYDDERSJ-HXUWFJFHSA-N 462.531 5.200 50 10 JKGE COc1ccc(-c2nn(-c3cccc(Cl)c3)c3c2[C@@H](c2ccc(Cl)cc2)C(C#N)=C(N)O3)cc1 1865683029 DNGYOOZQUSHCGU-QFIPXVFZSA-N 489.362 6.073 50 10 JKGE CCCCCOc1ccc([C@H]2C(C#N)=C(N)Oc3c2c(CCC)nn3Cc2cccc(Cl)c2)cc1 1865690195 LBVCZYPHYLXKHB-VWLOTQADSA-N 491.035 6.324 50 10 JKGE C=CCOc1ccccc1[C@H]1C(C#N)=C(N)Oc2c1c(C(F)(F)F)nn2Cc1cccc(Cl)c1 1865690868 CYNMLNJHFMIHCH-IBGZPJMESA-N 486.881 5.387 50 10 JKGE CCCc1nn(Cc2ccc(C)cc2)c2c1[C@H](c1ccc(Br)cc1)C(C#N)=C(N)O2 1865714741 PDMZZDWTNJSVFD-OAQYLSRUSA-N 463.379 5.173 50 10 JKGE CC(C)(NC(=O)C[C@H](c1ccccc1)c1cccc(F)c1)C(=O)Nc1ccc(SC#N)cc1 1866774014 YKOUWKPSCMVUTN-HSZRJFAPSA-N 461.562 5.454 50 10 JKGE N#CSc1ccc(Nc2cc(N3CCc4cc5ccccc5nc43)nc(-c3ccc(F)cc3)n2)cc1 1868456299 NEUZJKRMDDSKBX-UHFFFAOYSA-N 490.567 6.842 50 10 JKGE Cc1cc(OCc2ccc(CCl)cc2)cc2c1C(=O)/C(=C/c1ccc(Cl)cc1Cl)O2 1871436775 PKNCCSXODHKQNG-AFPJDJCSSA-N 459.756 7.236 50 10 JKGE COc1c(Cl)cc(-c2csc(/C(C#N)=C(\O)c3ccccc3Br)n2)cc1Cl 1872756266 WBKRFJDUFWVRFD-ATVHPVEESA-N 482.186 6.838 50 10 JKGE CC(C)(C)c1ccc(C(=O)NC/C(O)=C(\C#N)c2nc(-c3cccc([N+](=O)[O-])c3)cs2)cc1 1873941071 VEXJYVGIDOARDC-VZCXRCSSSA-N 462.531 5.238 50 10 JKGE Cc1csc([C@H](Br)c2cc(Br)ccc2OCc2ccccc2)c1 1899857234 AIAQXWWHWJRMAS-LJQANCHMSA-N 452.211 6.882 50 10 JKGE O=S(=O)(c1cc(Cl)sc1Cl)N(Cc1ccccc1)[C@@H](CBr)C1CC1 1915171096 WHRQODSWGSTLMI-ZDUSSCGKSA-N 469.253 5.419 50 10 JKGE CC(C)[C@@H](CBr)N(Cc1ccccc1)C(=O)c1ccc(Cl)cc1C(F)(F)F 1915281570 RVYQMXUPSLADAC-GOSISDBHSA-N 462.737 6.421 50 10 JKGE CN(C[C@@H](Br)COCc1ccccc1)C(=O)c1ccc(Cl)cc1Br 1916384023 VEEMCHKZRBDNIS-CQSZACIVSA-N 475.608 5.155 50 10 JKGE Cc1cc([C@@H](Br)c2cc(Br)cc3c2OCCC3)oc1Br 1917603479 DQZGNDBFSQXRGF-ZDUSSCGKSA-N 464.979 5.922 50 10 JKGE CC(C)(C[C@@H](Br)c1cc(Br)c(Br)s1)C(F)(F)F 1945245552 YRKCFEOEYKVPCG-ZCFIWIBFSA-N 458.963 6.688 50 10 JKGE CCc1nc(C(=O)N(Cc2ccccc2)C[C@@H](Br)CC)c(Br)s1 1980615320 OUODTQZUASXVFC-ZDUSSCGKSA-N 460.235 5.284 50 10 JKGE Cc1cc([C@H](Br)c2sc(Br)c(C)c2Br)sc1Cl 2000997231 DXAREBRDGKTYNK-QMMMGPOBSA-N 479.484 7.089 50 10 JKGE CCCc1ccc([C@@H](Cl)c2ccc(I)c(Br)c2)s1 2027125977 SUKKPAVAQZDBQD-AWEZNQCLSA-N 455.586 6.396 50 10 JKGE CCc1cc(Br)c([C@H](Br)c2ccc(Br)c(F)c2)s1 2029232948 NIHLBAGDKRGCDV-GFCCVEGCSA-N 457.000 6.459 50 10 JKGE COc1ccc([C@@H](Br)c2csc(Br)c2Br)cc1C 2032959175 VYQVOJYGWLFIJB-LLVKDONJSA-N 455.009 6.074 50 10 JKGE C[C@@H](c1cccs1)N(Cc1ccccc1)c1c(CCl)ccc(Br)c1Cl 2036844037 CAANNXDRMXYQBM-AWEZNQCLSA-N 455.248 7.671 50 10 JKGE Cn1nc([C@H](Br)Cc2ccc(Br)cc2)c(Br)c1Cl 2048149820 WLVFFZIJIBBJMA-SECBINFHSA-N 457.391 5.277 50 10 JKGE CCCCCCOc1ccccc1C=C(C#N)C(=O)Nc1ccccc1I 2053515172 HAKWVXIVVPRJKP-UHFFFAOYSA-N 474.342 5.796 50 10 JKGE CCn1cc(Br)c([C@H](Br)c2sc(C)c(Br)c2C)n1 2060855150 CZDCWVREQGXQOF-JTQLQIEISA-N 457.029 5.591 50 10 JKGE Cc1cc(Cl)c(Br)cc1[C@@H](Br)c1cccc(OCc2ccccc2)c1 2082379069 GNELJOZOXOLEHK-NRFANRHFSA-N 480.627 7.474 50 10 JKGE O=C(NC1(CBr)CCCCC1)c1cccc(Br)c1Br 2092340416 PXKNKNPZOUWRKF-UHFFFAOYSA-N 454.000 5.039 50 10 JKGE Clc1cc([C@H](Br)c2cc(Cl)c(Cl)c(Cl)c2Cl)sc1Cl 2099843348 OTYWLQLAQXDOQV-SSDOTTSWSA-N 459.834 8.153 50 10 JKGE CC(C)[C@@H]1CC[C@@H](Br)[C@H](Cc2cc(Br)ccc2Br)C1 2118524902 OGILOSLAKGCBMC-TYNCELHUSA-N 453.056 6.590 50 10 JKGE Clc1ccccc1C(CBr)(CBr)Cc1cnsc1Br 2119235065 WDCJVJUDELHHEM-UHFFFAOYSA-N 488.470 5.829 50 10 JKGE O=S(=O)(c1cc(F)c(Cl)c(CBr)c1)N(Cc1ccccc1)C1CCCC1 2123270639 ZENFQNCZAPSYHH-UHFFFAOYSA-N 460.796 5.508 50 10 JKGE BrCc1cc(Br)c(OCC[C@@]23CCC[C@H]2C3)c(Br)c1 2125598328 NGFWBCKKJNYHID-XHDPSFHLSA-N 453.012 6.066 50 10 JKGE CC12CCC([C@@H](Br)c3c(Br)sc(Br)c3Cl)(CC1)CO2 2133547413 HKBFTZAPORHKJJ-ALXWSUNGSA-N 493.486 6.712 50 10 JKGE Fc1ccc(Br)c(COc2ccc(Br)cc2CBr)c1 2141338237 HBYJNEUKTYMHQD-UHFFFAOYSA-N 452.943 5.825 50 10 JKGE O=C(c1cc(Br)c(Br)s1)N1CCCC[C@@H]1CCCBr 2141717544 RDGAXVIDKBGLKW-SECBINFHSA-N 474.056 5.443 50 10 JKGE CCC[C@@H]1CC[C@H](Br)[C@H](Cc2ccc(I)c(Cl)c2)C1 2142953119 NABSIZLHVZEGGB-XBFCOCLRSA-N 455.605 6.467 50 10 JKGE CCc1nn(CC2(CBr)CCCCCC2)c(CC)c1I 2150312373 STPWVKHACVURBS-UHFFFAOYSA-N 453.206 5.348 50 10 JKGE FC(F)(F)c1cc(CC[C@H](Br)COCc2ccccc2)cc(C(F)(F)F)c1 2155651699 OQNDLCUGWQHWRT-KRWDZBQOSA-N 455.236 6.637 50 10 JKGE COc1cccc(OCc2ccc(Br)cc2Br)c1CBr 2160701896 YWJARUHQFJSBRE-UHFFFAOYSA-N 464.979 5.694 50 10 JKGE Cc1cc(Br)c(CBr)c(N(C)[C@H]2C[C@@H]3CC[C@H](C2)N3Cc2ccccc2)c1 2173448541 AVPNZKZVIGJUKB-ACDBMABISA-N 492.299 6.284 50 10 JKGE C[C@@H](c1cccs1)N(Cc1ccccc1)S(=O)(=O)N1CCC(CCBr)CC1 2179956322 NFVDMGGJGHSJAB-KRWDZBQOSA-N 471.486 5.053 50 10 JKGE CC(C)(C)c1cccc([C@H](Br)c2ccc(Br)cc2Br)c1 2203688444 UHNMCZXZAFAOPV-INIZCTEOSA-N 461.035 6.993 50 10 JKGE Cc1c(Br)ccc([C@@H](Br)[C@]2(C)CCCCC2(F)F)c1Br 2203707236 UYHWTMNKHZSANZ-KGLIPLIRSA-N 475.009 7.172 50 10 JKGE COc1c(C)cc(Br)cc1[C@@H](Br)Cc1cccc(Br)c1 2206599041 SHSXRIXECHBNII-HNNXBMFYSA-N 463.007 6.207 50 10 JKGE CC(C)[C@H](Br)Cc1sc(Br)c(Br)c1Br 2209977188 PWVAQONNBKPLML-RXMQYKEDSA-N 469.862 5.998 50 10 JKGE Cc1sc(Br)c(C)c1[C@H](Cl)c1csc(Br)c1Br 2213632270 UHDZHEMWPCAFMM-SECBINFHSA-N 479.484 7.042 50 10 JKGE Cc1cc([C@H](Cl)c2sc(Br)cc2Br)cc(C)c1Br 2220199213 WEAXUMJSKYXSEF-LBPRGKRZSA-N 473.455 6.981 50 10 JKGE Fc1ccc(Br)cc1[C@@H](Cl)c1cc(Br)c(Br)cc1F 2225633098 HFIOCPLUYZEEFQ-CYBMUJFWSA-N 475.352 6.581 50 10 JKGE Cc1cc(C)c([C@@H](Br)c2c(C)c(Br)cc(C)c2Br)s1 2225931421 LHRIPICCPFGJTL-AWEZNQCLSA-N 467.064 6.991 50 10 JKGE COc1c(Br)cc(C)cc1[C@H](Br)c1scc(Br)c1C 2226127709 YVLPPVCEHMCOHI-LBPRGKRZSA-N 469.036 6.383 50 10 JKGE Clc1cc(Br)ccc1C[C@H](Br)c1c(Cl)sc(Cl)c1Cl 2229147560 LSNJRJSPUJWEHV-ZETCQYMHSA-N 483.867 7.803 50 10 JKGE CC1(C)CCC([C@H](Br)c2c(Br)cc(Cl)c(Cl)c2Cl)CC1 2232527525 OFTVCOUEGWOJPC-LBPRGKRZSA-N 463.468 8.062 50 10 JKGE CCOCc1cc(Br)c([C@@H](Br)c2nn(C)c(Br)c2C)s1 2233013617 LPLLULIJJMFDDL-JTQLQIEISA-N 487.055 5.336 50 10 JKGE C[C@H](Cl)c1nc2cc(Br)c(Br)cc2n1CC1(Br)CCC1 2234070550 UXXSXYXFJVBAAB-QMMMGPOBSA-N 485.445 6.179 50 10 JKGE Cc1cc(Br)c([C@H](Br)c2ccc(F)c(Cl)c2)c(C)c1Br 2235604659 OTASWACIZXKYPM-OAHLLOKOSA-N 485.416 7.105 50 10 JKGE Cc1ccc(C[C@H](Br)c2c(Br)cc(C)c(Br)c2C)cc1 2235606636 WUADTWJGKTYLSK-HNNXBMFYSA-N 461.035 6.816 50 10 JKGE Fc1cc(Br)c(Br)cc1[C@@H](Br)c1cocc1Br 2249421203 DPUZYORJHKHWEX-LLVKDONJSA-N 491.774 6.191 50 10 JKGE CC(C)(C)OC(=O)N1CCC[C@](CI)(OC[C@H]2CC[C@H](C)CC2)C1 2250266603 WJWDKZPLOWRBGC-GPMSIDNRSA-N 451.389 5.034 50 10 JKGE Cc1cc(Br)c([C@H](Br)c2c(Br)cnn2C)c(C)c1F 2264477284 XLLWHMFVFKGQOC-NSHDSACASA-N 454.963 5.185 50 10 JKGE COc1ccc([C@@H](Br)c2cccc(C)c2Cl)cc1I 2269538908 CHNCCUHXXURCAU-CQSZACIVSA-N 451.529 5.746 50 10 JKGE Cc1cc(F)c(Br)cc1[C@@H](Br)c1c(Cl)sc(Cl)c1Cl 2270452263 GMDQVVOYFNSVCF-SECBINFHSA-N 467.412 7.403 50 10 JKGE C[C@@H]1CCC[C@@H]([C@H](Br)c2c(F)cc(Br)c(F)c2Br)C1 2272853258 JFZYNYHZTAKSTI-RWYTXXIDSA-N 460.982 6.752 50 10 JKGE Cc1cc(Br)c([C@H](Br)c2nn(C)c(Br)c2C)c(C)c1F 2279141202 GGHDOGFODYSBRP-NSHDSACASA-N 468.990 5.494 50 10 JKGE CCc1cc(Br)c([C@H](Br)c2cc(Br)cc(C(C)C)c2)s1 2280677367 QCGSAAIYKSEWCF-OAHLLOKOSA-N 481.091 7.443 50 10 JKGE Fc1cc(Br)c(Br)cc1[C@@H](Br)[C@@H]1CC(F)(F)C12CCC2 2280857369 NXWUXWSRBKXBAZ-QPUJVOFHSA-N 476.956 6.612 50 10 JKGE COc1ccc(C(=O)N(Cc2ccccc2)[C@@H](CBr)C2CC2)c(Cl)c1OC 2283570200 JBPMRHBNGYLBGI-KRWDZBQOSA-N 452.776 5.173 50 10 JKGE C[C@@H](Br)CN(CCC(C)(C)C)C(=O)c1scc(Br)c1Br 2288074897 LNSGIYYVDBFSOW-SECBINFHSA-N 490.099 5.935 50 10 JKGE BrCCCC[C@@H](Cc1ccccc1)O[C@H](CCCCBr)Cc1ccccc1 2295149742 KGWHFBLERZDVDK-PSWAGMNNSA-N 496.327 7.356 50 10 JKGE COc1cc(C=C(C#N)c2nc(-c3ccc(Br)cc3)cs2)ccc1OC(C)=O 2296048074 XOHKZQHVAODBET-UHFFFAOYSA-N 455.333 5.571 50 10 JKGE CCc1ccc(-c2csc(C(C#N)=Cc3ccc(OCc4ccccc4)c(OC)c3)n2)cc1 2296801466 JLTDCKWCNOBELL-UHFFFAOYSA-N 452.579 7.024 50 10 JKGE CCOC(=O)c1c(-c2ccccc2)csc1NC(=O)C(C#N)=Cc1ccc(OC(C)C)c(OC)c1 2296819030 MPKZKSGPOHEESX-UHFFFAOYSA-N 490.581 5.933 50 10 JKGE COc1cc(C=C(C#N)c2nc3cc(Br)cnc3[nH]2)ccc1OC(=O)c1ccccc1 2297368197 VVTOOOPPCWJJEU-UHFFFAOYSA-N 475.302 5.012 50 10 JKGE Brc1cc(OCc2ccccc2)ccc1[C@H](Br)[C@@H]1CCC[C@@H]2C[C@@H]21 2299489044 LVDUIPLBSBVHBC-QSRMWPQZSA-N 450.214 6.900 50 10 JKGE Brc1sc([C@H](Br)c2cnsc2Br)cc1C1CC1 2300278471 JQXFLXNDPRUPKU-SECBINFHSA-N 458.038 6.091 50 10 JKGE COc1cc(C=C(C#N)C(=O)Nc2ccccc2)c(Br)cc1OCc1ccc(Cl)cc1 2313610314 VGEVYUCTHXQUTK-UHFFFAOYSA-N 497.776 6.236 50 10 JKGE COc1ccccc1NC(=O)C(C#N)=Cc1cc(Cl)ccc1OCc1ccccc1Cl 2313637881 KDYNXBQBBOUAHK-UHFFFAOYSA-N 453.325 6.127 50 10 JKGE CC1=C(C#N)C(=O)N(CCc2ccccc2)C(=O)C1=Cc1ccc(OCc2ccc(C)cc2)cc1 2314616982 OJCUEKVCGGSCIH-UHFFFAOYSA-N 462.549 5.409 50 10 JKGE CC1=C(C#N)C(=O)N(C[C@@H]2CCCO2)C(=O)C1=Cc1ccc(-c2cccc(Cl)c2Cl)o1 2314619033 YPCIBDARUDPALK-HNNXBMFYSA-N 457.313 5.025 50 10 JKGE COc1cccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)C=Cc4ccc(C(C)(C)C)cc4)ccc32)c1 2314634216 FMSDTKPXLCQSAO-MUUNZHRXSA-N 480.564 5.830 50 10 JKGE Fc1c(Br)cc(Cl)c([C@H](Br)[C@]23CCC[C@H]2C3)c1Br 2315450826 IPRJKNUQZYMANS-MYWNEDRFSA-N 461.394 6.630 50 10 JKGE Cc1cc([C@H](Br)c2c(Cl)cc(Br)c(F)c2Br)co1 2315458537 NRACNNXWYFPIMM-JTQLQIEISA-N 461.350 6.390 50 10 JKGE C[C@@H]1CC[C@](C)([C@@H](Br)c2sc(Cl)cc2I)C1(C)C 2316607943 WXZJPIOBNZPJDK-CWONEXCFSA-N 461.634 6.905 50 10 JKGE Cn1nc(Br)c(Br)c1[C@H](Br)c1ccc(Cl)cc1Cl 2316832120 GOJBBHMXAIQFMS-MRVPVSSYSA-N 477.809 5.736 50 10 JKGE Cc1c(Br)sc([C@H](Cl)c2c(Br)c(Br)nn2C)c1C 2316836910 AGVJCKVHYUFKSK-SSDOTTSWSA-N 477.447 5.714 50 10 JKGE C[C@@H]1CCc2c(sc3nc(SCC(=O)C(C#N)=C4Nc5ccccc5S4)nc(O)c23)C1 2320729581 XLERDDFWPBPCFH-LLVKDONJSA-N 466.613 5.136 50 10 JKGE CCCCOc1cccc(C=NNC(=O)c2cc(-c3ccccc3)nc(N3CCCCC3)n2)c1 2323756298 HUOSKMIJOPDGJH-UHFFFAOYSA-N 457.578 5.077 50 10 JKGE ClCC(CCl)(Cc1ccc(I)c(Br)c1)C1CCC1 2325171953 BALPXHVYUKCOII-UHFFFAOYSA-N 461.996 5.860 50 10 JKGE CC[C@]1(C)[C@@H](Br)C[C@@H]1OCc1ccc(I)c(Br)c1 2325371116 JWMYERKVPPPDTQ-MELADBBJSA-N 488.001 5.522 50 10 JKGE COc1ccc(-c2csc(C(C#N)=C(O)Cc3ccc(OCc4ccccc4)cc3)n2)cc1C 2331259507 OUXATRKFYXGKQO-UHFFFAOYSA-N 468.578 6.742 50 10 JKGE COc1cc(C)c(-c2csc(C(C#N)=C(O)Cc3ccc(OC(C)C)cc3)n2)cc1C(C)C 2331352076 BMDZUBMRQFXXRI-UHFFFAOYSA-N 462.615 7.073 50 10 JKGE COc1c(C)cc(C)cc1-c1csc(C(C#N)=C(O)[C@@H]2CC(=O)N(Cc3ccccc3)C2)n1 2331373278 UJXYBHMDAOBMNH-LJQANCHMSA-N 459.571 5.277 50 10 JKGE COC(=O)c1ccc(C=CC(O)=C(C#N)c2nc(-c3cc(Cl)ccc3Cl)cs2)cc1 2331405337 HQLAAFQJRLPSNL-UHFFFAOYSA-N 457.338 6.410 50 10 JKGE COc1ccc(-c2csc(C(C#N)=C(O)c3ccc(C(C)(C)C)cc3)n2)c(OC)c1OC 2331413799 ONCOCWDBFKGEOR-UHFFFAOYSA-N 450.560 6.083 50 10 JKGE COc1ccc(C(C)(C)C)cc1-c1csc(C(C#N)=Cc2cc(Br)cc(OC)c2O)n1 2331461053 DNZLNHVLEQEJHX-UHFFFAOYSA-N 499.430 6.657 50 10 JKGE CCCOc1c(C=C(C#N)c2nc(-c3cc(Cl)cc(Cl)c3OC)cs2)cccc1OC 2331467539 BPRIIPRGQRRPAS-UHFFFAOYSA-N 475.397 6.987 50 10 JKGE COc1cc(Br)cc(C=C(C#N)c2nc(-c3cc(C)cc(C)c3OC)cs2)c1O 2331469851 CNISMNQFOJBERW-UHFFFAOYSA-N 471.376 5.976 50 10 JKGE Brc1cc(OCc2ccccc2)ccc1[C@@H](Br)C1Cc2ccccc2C1 2336052166 YONLOXWUVHYDMR-QHCPKHFHSA-N 472.220 6.879 50 10 JKGE FC(F)(F)[C@@H]1CCO[C@H]1[C@H](Br)c1cc(Br)ccc1OCc1ccccc1 2336055197 YCWNRWDQSKGAOP-KBAYOESNSA-N 494.145 6.432 50 10 JKGE CC(C)(C)[C@H](C[C@@H](Br)c1ccc(OCc2ccccc2)cc1Br)C(F)F 2336079729 VMDLXKLHJCDVCD-IEBWSBKVSA-N 490.226 7.782 50 10 JKGE CCCc1sc(Br)cc1[C@@H](Cl)c1cc(I)ccc1F 2338031991 RGJCIZWHXURNQS-AWEZNQCLSA-N 473.576 6.535 50 10 JKGE COc1c(Br)cc(C)c([C@@H](Br)C2CC(C)(C)C2)c1Br 2339690022 GQUGSGHCTVSYGM-LBPRGKRZSA-N 455.028 6.401 50 10 JKGE Clc1ccc([C@H](Cl)Cc2ccc(Br)cc2Cl)c(I)c1 2340057807 LHCTZGUNTYNMDQ-CYBMUJFWSA-N 490.393 6.883 50 10 JKGE Brc1ccc(OCc2ccccc2)c([C@@H](Br)C2CC3(C2)CC2(CCC2)C3)c1 2361201606 UQFMLYIKHBXMCS-QFIPXVFZSA-N 490.279 7.825 50 10 JKGE Cc1cc(Br)c(F)c(Br)c1[C@H](Br)[C@H]1C(F)(F)C12CCC2 2365218010 ABHGWSMJJMQHIK-CMPLNLGQSA-N 476.956 6.531 50 10 JKGE COc1cc(Br)c(Oc2cc(CBr)c(C)cn2)cc1Br 2380501483 RIOKQYPFWWWSMQ-UHFFFAOYSA-N 465.967 5.611 50 10 JKGE C=CCOc1ccc(Cl)cc1/C=C(/C#N)C(=O)Nc1ncc(Cc2cccc(Cl)c2)s1 1905954 NUYPCTPULLWJPL-BOPFTXTBSA-N 470.381 6.151 50 10 JKGE Cc1ccc(C[C@H]2S/C(=C(/C#N)C(=O)Nc3ccc(F)cc3)N(c3ccc(Cl)cc3)C2=O)cc1 2343783 SEVUFBHNSMBOIG-YMGIJWJESA-N 491.975 5.853 50 10 JKGE CCN(CC)c1ccc(/C=N/NC(=O)COc2ccc(C(C)(C)C)cc2Br)cc1 5947234 SHIMCJRYRZXYIG-MFKUBSTISA-N 460.416 5.122 50 10 JKGE COc1ccc(/C=C(\C#N)C(=O)Nn2c(-c3ccc(C(C)(C)C)cc3)nc3ccccc3c2=O)cc1 27527553 RHPGJPXZJXCZRY-HEHNFIMWSA-N 478.552 5.047 50 10 JKGE COC(=O)c1ccc(NC(=O)/C(C#N)=C\c2cn(Cc3ccc(F)cc3)c3ccccc23)cc1 33340075 VVVLFBYEDVPUBU-ZHZULCJRSA-N 453.473 5.161 50 10 JKGE CCOC(=O)c1ccc2ccccc2c1OC(=O)[C@@]12CC[C@@](C)(C(=O)[C@@H]1Br)C2(C)C 33514334 PTGPLLSBSKFNQZ-GKVQRAMASA-N 473.363 5.081 50 10 JKGE N#C/C(=C/c1cn(-c2ccccc2)nc1-c1ccc(Cl)cc1)c1nc(-c2ccc(Cl)cc2)cs1 33595897 JVRNOTYRANUVHY-ZHZULCJRSA-N 499.426 8.034 50 10 JKGE CC(C)c1ccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)COc4ccccc4Cl)ccc32)cc1 38649502 RQOPVQHIALRRTK-SANMLTNESA-N 474.944 5.666 50 10 JKGE CC(C)CCOc1cccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4ccc([N+](=O)[O-])cc4)ccc32)c1 38684652 ATSYMESARBWKKT-SANMLTNESA-N 499.523 5.457 50 10 JKGE Cc1ccc(-c2ccc(/C=C(\C#N)C(=O)Nc3ccc(OC(F)(F)F)cc3)o2)c([N+](=O)[O-])c1 39884774 DWBQTTOFEQBQON-SDNWHVSQSA-N 457.364 5.608 50 10 JKGE CCOC(=O)/C(C#N)=C/c1ccc(OC(=O)CCCOc2ccc(Cl)cc2Cl)c(OCC)c1 40867339 QSYCYOAFCVNPHP-SFQUDFHCSA-N 492.355 5.627 50 10 JKGE CC(C)(C)c1ccc(OCCCC(=O)N/N=C/c2ccc(Cl)c(Cl)c2)c(Br)c1 40951357 WFRKPYDLAVCYIB-DHRITJCHSA-N 486.237 6.363 50 10 JKGE Cc1cc(C)c(OCC(=O)N/N=C2\C(=O)N(Cc3c(Cl)cccc3Cl)c3ccccc32)c(C)c1 59166059 HUJSKCUMHVZSGX-KRUMMXJUSA-N 496.394 5.365 50 10 JKGE CCc1cccc(CC)c1N/C(SCc1ccccc1Cl)=C(\C#N)S(=O)(=O)c1ccccc1 104689258 YEHLZEVKAKKBFO-LCUIJRPUSA-N 497.085 6.977 50 10 JKGE COc1ccc([C@H](Br)c2ccccc2I)cc1Br 109834035 UWQALGFTUQLDPT-AWEZNQCLSA-N 481.953 5.547 50 10 JKGE CCOc1ccc([C@H](Br)c2cc(Br)c(Br)s2)cc1 128292900 QMVACGJIEJXWJZ-LBPRGKRZSA-N 455.009 6.156 50 10 JKGE Cc1cc(Br)c([C@H](Br)Cc2c(F)cccc2F)cc1Br 128783923 IFSXMQHFDNUESK-CYBMUJFWSA-N 468.961 6.477 50 10 JKGE FC(F)(F)SCCC(CBr)(CBr)c1cccc(Br)c1 131020096 GAGWEIKOXCVALA-UHFFFAOYSA-N 485.001 6.120 50 10 JKGE COc1cc([C@H](Br)c2ccc(C)cc2Br)c(OC)cc1Br 134293330 FXYOSFIYHBQPFE-MRXNPFEDSA-N 479.006 6.022 50 10 JKGE O=C(NC[C@@H]1CCCC[C@H]1CBr)c1cc(Br)ccc1Br 161228666 UYOQFZILCCQTTL-QWRGUYRKSA-N 468.027 5.143 50 10 JKGE Cc1ccc(/C=C\C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@@H]3c2cccc3ccccc23)cc1 205647562 PTASIMXPVIUBMG-OKWNXBCBSA-N 458.517 5.985 50 10 JKGE CCOc1cc(/C=C(/C#N)C(N)=S)cc(Br)c1OCc1cccc2ccccc12 206445982 IKKDWOUUKRHPCI-ZDLGFXPLSA-N 467.388 5.773 50 10 JKGE N#C/C(=C/Nc1ccc(I)cc1)C(=O)Nc1ccc(Cl)c(Cl)c1 217005961 WEILDIBYOQJZLQ-KTKRTIGZSA-N 458.086 5.056 50 10 JKGE BrCc1ccc(Br)cc1Oc1ccc(I)cc1 218199994 DUFIJVWEECWWPS-UHFFFAOYSA-N 467.926 5.741 50 10 JKGE Brc1cc([C@H](Br)[C@@H]2[C@@H]3CCc4ccccc4[C@H]32)sc1Br 227474291 QWMKOIXUVDYMHP-QZKOUSHUSA-N 477.059 6.685 50 10 JKGE Cc1cc(Br)c([C@@H](Br)COCC(F)(F)F)cc1Br 232344931 GRMNAHDYYLZSAG-JTQLQIEISA-N 454.906 5.535 50 10 JKGE C[C@H](Sc1nnc(CNc2cccc3ccccc23)n1-c1ccccc1)C(=O)NN=Cc1ccco1 252641557 ZEVNRVUMYSQIFD-IBGZPJMESA-N 496.596 5.257 50 10 JKGE C[C@H]1CCc2sc(C(=O)NN=Cc3sc(N4CCCCC4)nc3-c3cccs3)cc2C1 254385575 QBKOMASLLJVNHU-HNNXBMFYSA-N 470.689 5.812 50 10 JKGE CCOc1ccccc1C(=O)NN=Cc1c(OC(=O)c2cccc(C)c2)ccc2ccccc12 254391654 OZLPXKWMMIGPCX-UHFFFAOYSA-N 452.510 5.530 50 10 JKGE Cc1ccc(C(=O)Oc2ccc3ccccc3c2C=NNC(=O)COc2ccccc2C)cc1 254818965 SIKBSZAYRVKJIU-UHFFFAOYSA-N 452.510 5.205 50 10 JKGE COCCOc1ccc([C@@H](Cl)c2sccc2I)cc1Br 312944136 QGFLWQXXVHRRTK-CYBMUJFWSA-N 487.584 5.469 50 10 JKGE C[C@@H](Cl)c1nc2cnccc2n1-c1cc(Br)ccc1I 380002597 AYKVPIROXJBTJI-MRVPVSSYSA-N 462.516 5.087 50 10 JKGE CCC(CC)OCC(CBr)(CBr)c1ccccc1Br 382354540 KMSKCQKTNAGLAJ-UHFFFAOYSA-N 457.044 5.682 50 10 JKGE CCCc1nn(C)c2c1nc(CCl)n2CCCN(Cc1ccccc1)Cc1ccccc1 390676143 XSUDQSOUAULAEU-UHFFFAOYSA-N 450.030 5.554 50 10 JKGE COc1ccc(C[C@H](Br)c2scc(Br)c2Br)cc1OC 705489708 DVFPJSJBSJJMAJ-VIFPVBQESA-N 485.035 5.969 50 10 JKGE CC1(C)CN(Cc2ccccc2)C[C@@H]1n1c(CCCl)nc2cc(I)ccc21 720701173 FEMQRPXBBSPCAP-FQEVSTJZSA-N 493.820 5.505 50 10 JKGE Fc1cccc([C@H](Br)c2cc(Cl)cc3c2OCC3)c1I 721696414 FQTPFVIDPNSXFX-ZDUSSCGKSA-N 467.503 5.503 50 10 JKGE Cc1cc(/C=C(\C#N)C(=O)NCCc2c[nH]c3ccccc23)c(C)n1-c1ccc(Cl)c(C(=O)O)c1 1083887333 ZNMPJJJBSSLTCS-UDWIEESQSA-N 486.959 5.193 50 10 JKGE N#C/C(=C/c1ccc(OCc2c(Cl)cccc2Cl)cc1)C(=O)Nc1cc(Cl)ccc1Cl 1083912442 IQHUBGXHZZCNEZ-GDNBJRDFSA-N 492.189 7.425 50 10 JKGE O=C(Nc1ccccc1C(=O)NN=Cc1ccc(OCc2ccc(Cl)cc2)cc1)c1cccs1 1083938281 HKRWGKLWYBWBHU-UHFFFAOYSA-N 489.984 5.997 50 10 JKGE C=CCc1cc(/C=C(\C#N)C(=O)Nc2cccc(Cl)c2Cl)ccc1OCc1ccc(F)cc1 1084275447 AVTCGZMTOAAPBF-XSFVSMFZSA-N 481.354 6.986 50 10 JKGE COc1cc(/C=C(/C#N)C(=O)Nc2cccc(C(F)(F)F)c2)ccc1OCc1ccccc1F 1084349801 QUHWBBGZEKDFQW-WQRHYEAKSA-N 470.422 5.978 50 10 JKGE Cc1ccc(C)c(-n2c(C)c(Br)c(C=NNC(=O)CSc3ccccc3)c2C)c1 1084562650 CQQNSXMZICOOQA-UHFFFAOYSA-N 470.436 5.716 50 10 JKGE CCOc1cc(/C=C(/C#N)C(=O)Nc2cc(Cl)ccc2C)ccc1OCc1cccc(Cl)c1 1084601382 GLCVJZJUOLUHAI-JAIQZWGSSA-N 481.379 6.825 50 10 JKGE CCOc1ccc(NC(=O)/C(C#N)=C\c2ccc(-c3ccc(Br)cc3CC)o2)cc1 1084619104 UXAGZBIVYLLYKR-VKAVYKQESA-N 465.347 6.216 50 10 JKGE COc1cc(NC(=S)NNC(=O)CSCc2c(C)c(C)c(C)c(C)c2C)c(OC)cc1Cl 1615948437 IAFNFZITYCDMLV-UHFFFAOYSA-N 496.098 5.150 50 10 JKGE COc1ccc2ccccc2c1C=NNC(=O)COc1cc(C)c(Cl)c(C)c1Br 1772756546 QFSUQOAXUWYEHI-UHFFFAOYSA-N 475.770 5.410 50 10 JKGE CCCCOc1ccc([C@H]2C(C#N)=C(N)Oc3c2c(C)nn3Cc2ccccc2F)cc1OCC 1865686965 GHHGSEHOBLPNPP-VWLOTQADSA-N 476.552 5.175 50 10 JKGE CC(C)c1nc(Nc2ccc(SC#N)cc2)cc(N2CCC[C@H]2c2nc3c([nH]2)CCCC3)n1 1868231852 UMFRMDNMQSYRLJ-NRFANRHFSA-N 459.623 5.860 50 10 JKGE C=CCOc1ccccc1OC/C(O)=C(\C#N)c1nc(-c2cccc(Br)c2)cs1 1872745789 CODDXOTWIRIZMR-ZPHPHTNESA-N 469.360 6.009 50 10 JKGE Cc1ccc(-c2csc(/C(C#N)=C(\O)c3cc(C(F)(F)F)cc(C(F)(F)F)c3)n2)c(C)c1 1872748898 RQBXBBRLGKOXSC-ZPHPHTNESA-N 468.422 7.414 50 10 JKGE CCCCOc1ccc(/C(O)=C(\C#N)c2nc(-c3ccc(Cl)c(Cl)c3)cs2)cc1OCC 1872749314 LIPNVFZGOAJVQX-QJOMJCCJSA-N 489.424 7.644 50 10 JKGE COc1cc(C)c(-c2csc(/C(C#N)=C(\O)CCCOc3ccc(C(C)(C)C)cc3)n2)cc1C 1872758314 UWZQZOYBAGMING-BZZOAKBMSA-N 476.642 7.385 50 10 JKGE COc1cc(/C=C(\C#N)c2nc(-c3ccc(C)cc3C)cs2)ccc1OCCc1ccccc1 1872790671 XMIHTGMOGXQOCK-LFVJCYFKSA-N 466.606 7.121 50 10 JKGE COc1cc(/C=C(\C#N)c2nc(-c3ccc(C(C)(C)C)cc3)cs2)ccc1OCc1ccccc1 1872792440 ZCQSUFXGWQWDDS-LFVJCYFKSA-N 480.633 7.759 50 10 JKGE O=S(=O)(c1cc(CBr)ccc1Cl)N(Cc1ccccc1)Cc1ccccc1 1882226349 LEBVGLYMUQWXSO-UHFFFAOYSA-N 464.812 5.626 50 10 JKGE O=C(c1scc(Br)c1Br)N(CCCBr)Cc1ccccc1 1914604521 URXSALJWIGUFFR-UHFFFAOYSA-N 496.062 5.701 50 10 JKGE CC[C@H](Cl)CN(Cc1ccccc1)S(=O)(=O)c1cc(Br)ccc1Br 1915107964 ZMTPZVZZAHGPLH-HNNXBMFYSA-N 495.664 5.420 50 10 JKGE COc1ccc(Cl)cc1[C@@H](Br)c1c(Cl)sc(Br)c1Cl 1925589597 LDJZLGDCMZKDTC-SECBINFHSA-N 465.421 6.964 50 10 JKGE CC1(C)CC[C@@H](Br)[C@H](CNC(=O)c2csc(Br)c2Br)C1 1927069570 SZFDHQSXBXUTEZ-WCBMZHEXSA-N 488.083 5.593 50 10 JKGE O=C(NC[C@H](CCCC[C@H]1CCSS1)C(=O)O)OCC1c2ccccc2-c2ccccc21 1951508209 WSVMBKSDIBMLAY-ROUUACIJSA-N 471.644 5.940 50 10 JKGE Cn1cc([C@H](Br)c2cc(Br)sc2Br)c(Br)n1 1981647251 VVJYSQCEMUTEFC-SSDOTTSWSA-N 493.844 5.253 50 10 JKGE CC[C@H](Br)CN(Cc1ccccc1)C(=O)c1cc(Cl)c(C)c(Br)c1 2002241934 ISCLDKGCZCITCI-INIZCTEOSA-N 473.636 6.227 50 10 JKGE COc1ccc(Br)cc1[C@H](Br)c1cc(I)sn1 2007642866 BQMCSKDIMXIHKS-NSHDSACASA-N 488.970 5.003 50 10 JKGE CCCc1ccc([C@@H](Br)c2cc(Br)ccc2Br)s1 2027129629 BSVYCRKSTDVAKW-AWEZNQCLSA-N 453.037 6.710 50 10 JKGE CCc1cc(Br)c([C@@H](Br)c2cc(Cl)ccc2Br)s1 2029232201 FVUJSTILQMXTDG-LBPRGKRZSA-N 473.455 6.973 50 10 JKGE COc1sc([C@H](Br)c2cccc(C)c2Br)cc1Br 2034630138 TZQQQWSQQVSSAD-GFCCVEGCSA-N 455.009 6.074 50 10 JKGE CCc1sc(Br)cc1[C@@H](Br)c1c(Cl)cccc1Br 2050319486 MYIJJGUHCAULIW-CYBMUJFWSA-N 473.455 6.973 50 10 JKGE BrCC(CBr)(Cc1cnsc1Br)c1ccccc1 2055662038 HBRKEQZZTRKBMT-UHFFFAOYSA-N 454.025 5.176 50 10 JKGE C[C@H](c1cccs1)N(Cc1ccccc1)S(=O)(=O)c1cc(CBr)cs1 2059282006 DQLJHWDUCSQHIF-CQSZACIVSA-N 456.452 5.657 50 10 JKGE Clc1c(Br)sc(Br)c1[C@@H](Br)[C@H]1C[C@@H]2CCC[C@@H]2C1 2063510214 OBRBSUSBAMXDEW-ODHVRURNSA-N 477.487 7.189 50 10 JKGE C[C@H]1Cc2cc([C@@H](Br)c3ccsc3Br)cc(Br)c2O1 2090457956 KAUZLMDZPUQMRJ-JVXZTZIISA-N 467.020 6.081 50 10 JKGE FC1(F)CCC2(CC1)C[C@H]2[C@@H](Br)c1cc(Br)c(Br)s1 2107093377 VEOUHIPONZBCSA-OIBJUYFYSA-N 479.022 6.925 50 10 JKGE C[C@H](Cl)c1nc2cc(I)ccc2n1CC1(Br)CCC1 2111901507 XPRJZJQERGAKGE-VIFPVBQESA-N 453.549 5.258 50 10 JKGE Oc1nc2cc([C@H](Br)c3cc(Br)cs3)c(Br)cc2[nH]1 2115923840 IRKWSUXBBSVBEP-NSHDSACASA-N 466.980 5.339 50 10 JKGE CO[C@H]1C[C@H]([C@@H](Br)c2c(Br)sc(Br)c2Cl)C[C@H]1OC 2118287592 YWCBJHDJPQFQCO-JAGXHNFQSA-N 497.474 5.803 50 10 JKGE CCC[C@@H]1CC[C@H](Br)[C@H](Cc2cc(Br)ccc2Br)C1 2118525817 YDOHNHUSFKMZJI-XUJVJEKNSA-N 453.056 6.734 50 10 JKGE Cc1cc(Br)c([C@H](Br)[C@@H]2C[C@@H]2C2CCCC2)cc1Br 2135274797 YNRJAKVQFCFIJF-XHBSWPGZSA-N 451.040 6.782 50 10 JKGE Cc1cc(Br)c(C)c([C@H](Br)CC2C[C@@H]3C[C@H]3C2)c1Br 2136374586 NHBOPNNTACSEOA-YRGRVCCFSA-N 451.040 6.701 50 10 JKGE Cc1cc(Cl)c(Br)cc1[C@@H](Cl)Cc1ccccc1I 2137636181 BPFJFHOQRGMLCY-ZDUSSCGKSA-N 469.975 6.538 50 10 JKGE Cc1c(Br)ccc([C@H](Br)Cc2ccccc2Cl)c1Br 2138852107 MKQONCPOOBJIQX-CYBMUJFWSA-N 467.426 6.852 50 10 JKGE Fc1cc(C[C@H](Br)c2ccc(Br)cc2)cc(F)c1Br 2142262205 BTYCYRGQVVQBDO-NSHDSACASA-N 454.934 6.169 50 10 JKGE CN(Cc1ccc(I)c(Cl)c1)C1(CBr)CC(C)(C)C1 2142948649 CIGYQHNYMHQHLS-UHFFFAOYSA-N 456.593 5.330 50 10 JKGE O=C(c1c(Br)cccc1Br)N1CCC[C@@H](CCBr)CC1 2150504450 WTENYKQRAREZNP-NSHDSACASA-N 468.027 5.239 50 10 JKGE CC(C)(C)C[C@@H](CCl)CNC(=O)c1cc(Br)ccc1I 2156325398 COIUFUDWXHSGHF-JTQLQIEISA-N 472.592 5.075 50 10 JKGE CC(C)(C)OC(=O)N1CCC[C@@H]([S@@](C)(=O)=NCCCCCCCCCBr)C1 2163058339 JVDPAZRIPXCUNG-DNOBIOAJSA-N 467.514 5.609 50 10 JKGE CCOc1ccc([C@H](Br)c2nc(CC)sc2Br)c(Br)c1 2169488171 OGPQEDCDLHYICL-LBPRGKRZSA-N 484.051 6.114 50 10 JKGE CN(Cc1snc(Cl)c1Cl)c1cc(Br)cc(F)c1CBr 2170692586 DZQZGWVRWJDPFI-UHFFFAOYSA-N 462.997 5.883 50 10 JKGE C[C@@H]1C[C@@H](n2c(CCl)nc3cc(F)c(Br)cc32)CN(Cc2ccccc2)C1 2184260714 OBZJUQYWWYPIOJ-GDBMZVCRSA-N 450.783 5.760 50 10 JKGE COc1cc(Cl)c([C@H](Br)c2c(C)nn(C)c2Br)cc1Br 2202351424 JDDUYYFZXCPJMP-LBPRGKRZSA-N 487.417 5.400 50 10 JKGE COc1cc(F)c([C@@H](Br)c2c(F)cccc2Br)cc1Br 2202903977 LGVZHMLVBGGADQ-CQSZACIVSA-N 470.933 5.983 50 10 JKGE Brc1ccc([C@H](Br)[C@@H]2CCc3ccccc3C2)c(Br)c1 2203685073 JCUPFWQNJMHMJR-CXAGYDPISA-N 459.019 6.453 50 10 JKGE CCn1cc([C@H](Br)c2cc(C)cc(Br)c2OC)nc1Br 2203837345 NHBSUBHOUJVZLQ-GFCCVEGCSA-N 466.999 5.229 50 10 JKGE Brc1cccc(CN2CC[C@@H]3CC[C@H](Br)C[C@H]3C2)c1Br 2204116517 QULHYATVOLMNDM-UBHSHLNASA-N 466.055 5.597 50 10 JKGE Brc1cccc(Br)c1[C@H](Br)c1ccc(-c2cccs2)s1 2205871584 KHXJOCHQJSYKSU-OAHLLOKOSA-N 493.083 7.486 50 10 JKGE Cc1c(Br)sc([C@H](Br)c2cscc2OCc2ccccc2)c1C 2210551950 BBDRGLFACJBXQH-MRXNPFEDSA-N 472.267 7.252 50 10 JKGE C[C@@H]1[C@@H](Br)CCC[C@H]1c1sc(Br)c(Br)c1Br 2212201399 WUEHKGWMIFZYJS-XVMARJQXSA-N 495.900 6.703 50 10 JKGE C[C@]1(C(F)F)C[C@@H]1[C@H](Br)c1cc(Br)c(Br)cc1F 2218602184 DCMYWTVJWCZVJP-CXTDYRRUSA-N 450.918 6.078 50 10 JKGE Cc1sc([C@H](Cl)c2ccc(Br)c(C)c2Br)cc1Br 2218968862 LNNXCWLBLFIZMP-CYBMUJFWSA-N 473.455 6.981 50 10 JKGE Cc1cc(Br)c([C@H](Br)c2c(F)cc(F)c(Br)c2F)s1 2229317677 LAKDRKBYHAJUAU-SNVBAGLBSA-N 478.953 6.483 50 10 JKGE FC(F)(F)[C@@H]1CCO[C@@H]1[C@@H](Br)c1c(Cl)sc(Br)c1Cl 2231818649 CXIULIDWOASDEE-BYHIOWSSSA-N 462.940 6.221 50 10 JKGE Cc1cccc([C@H](Br)Cc2cc(Cl)cc(Cl)c2)c1I 2232146888 VGHYXZDAPGGUKX-CQSZACIVSA-N 469.975 6.585 50 10 JKGE C[C@@H]1O[C@@]2([C@@H](Br)c3c(Br)cc(Cl)c(Cl)c3Cl)CC[C@H]1C2 2232518030 YXSLBKCXWOJVAW-HIZWJCBPSA-N 463.424 6.803 50 10 JKGE CCOCc1cc(Br)c([C@H](Br)c2ccc(Br)c(F)c2)s1 2233018930 GJEZUGXLYRCJMS-CYBMUJFWSA-N 487.026 6.433 50 10 JKGE COC1CC(CC[C@H](Br)c2c(Br)cc(C)c(Br)c2C)C1 2235597622 DIYUMGTVUXDBRD-BPCQOVAHSA-N 469.055 6.470 50 10 JKGE Cc1cc(Br)c([C@@H](Br)[C@@H]2[C@H]3[C@H]4CC[C@@H](C4)[C@H]32)c(C)c1Br 2235602079 CESKDGQKXPFGFO-NETPZMIPSA-N 463.051 6.557 50 10 JKGE Fc1cccc([C@@H](Br)c2ccc([C@H]3CCOC3)s2)c1I 2240430798 BWKLXJIVFMUEIP-LKFCYVNXSA-N 467.141 5.480 50 10 JKGE Brc1scc([C@@H](Br)c2ccc(C3CCC3)s2)c1Br 2259362729 AJYMEHYTIWHLNJ-LLVKDONJSA-N 471.077 7.086 50 10 JKGE Cc1oc(Br)cc1[C@@H](Cl)Cc1cc(Br)cc(Br)c1 2263513905 ULAJHEIBEAYYNY-LBPRGKRZSA-N 457.387 6.398 50 10 JKGE CC1([C@H](Br)c2c(Cl)sc(Br)c2Cl)CC(C(F)(F)F)C1 2264517091 HGVAXMKFNBXYFH-POUYQYJTSA-N 460.968 7.232 50 10 JKGE Fc1cccc([C@H](Br)c2c(F)cc(Br)c(F)c2Br)c1 2272727444 UEVTVLPVEZJTFQ-NSHDSACASA-N 458.897 6.113 50 10 JKGE COc1cc(OC)c([C@@H](Br)c2cscc2OCc2ccccc2)cc1Br 2278019636 QKNBUOIBDFPWPP-HXUWFJFHSA-N 498.236 6.591 50 10 JKGE Fc1cc(Br)c(F)c(Br)c1[C@@H](Br)[C@@H]1CCCCC1(F)F 2288376800 QABGDQOOAWPUKB-WKEGUHRASA-N 482.935 6.751 50 10 JKGE C=CCc1cc(C=C(C#N)C(=O)N(C)C)cc(OCC)c1OCc1ccc(Cl)cc1Cl 2294155986 XZXQQBHBTSDGPC-UHFFFAOYSA-N 459.373 5.695 50 10 JKGE CCOc1cccc(NC(=O)C(C#N)=Cc2ccc(OCc3ccc([N+](=O)[O-])cc3)c(OC)c2)c1 2294193297 BCPMOZQIKUVIIM-UHFFFAOYSA-N 473.485 5.127 50 10 JKGE COc1ccc(Cl)cc1NC(=O)C(C#N)=Cc1cccn1Cc1ccc(Cl)cc1Cl 2295672719 WZXWDBIYJFAOMI-UHFFFAOYSA-N 460.748 6.051 50 10 JKGE N#CC(=CNc1ccccc1OC(F)(F)[C@@H](F)Cl)c1nc(-c2ccc(F)cc2)cs1 2295934373 LPXRQGBWEJOPLU-LJQANCHMSA-N 453.848 6.432 50 10 JKGE CCOC(=O)C(C#N)=Cc1ccc(N=P(c2ccccc2)(c2ccccc2)c2ccccc2)cc1 2297398546 KCXGXWQWDOHTBI-UHFFFAOYSA-N 476.516 5.966 50 10 JKGE C[C@]1(C(F)F)C[C@@H]1[C@@H](Br)c1cc(Br)ccc1OCc1ccccc1 2299524353 CKUDGKOJUACVSJ-AYBZRNKSSA-N 460.156 6.755 50 10 JKGE CC(C)[C@@H](CBr)N(Cc1ccccc1)Cc1c(Br)cnn1C(C)C 2303059570 IKHNVWAWNZSJJT-GOSISDBHSA-N 457.254 5.648 50 10 JKGE COc1cc(C=C(C#N)C(=O)NCc2ccccc2)cc(Cl)c1OCc1ccccc1F 2313565357 WKNVMXHHJDJCEG-UHFFFAOYSA-N 450.897 5.290 50 10 JKGE CC1(C)OCCC[C@H]1[C@@H](Br)c1cc(Br)ccc1OCc1ccccc1 2314491394 QWRZNHDPWSAOQX-ICSRJNTNSA-N 468.229 6.669 50 10 JKGE CCOc1cc(C=C2C(=O)N(C3CCCCC3)C(=O)C(C#N)=C2C)ccc1OCc1ccccc1F 2314617078 QHSBPOAVJTXYCN-UHFFFAOYSA-N 488.559 5.728 50 10 JKGE C[C@@]1([C@@H](Br)c2sc(Cl)cc2I)CCCC(F)(F)C1 2316597464 RXLBCBRMJNZOBS-WDEREUQCSA-N 469.560 6.658 50 10 JKGE COc1ccc(Cc2nc3ccc(C(=O)NN=Cc4c(Cl)cccc4Cl)cc3[nH]2)cc1 2323721135 PNZVSRDXUKNYJI-UHFFFAOYSA-N 453.329 5.233 50 10 JKGE Cc1c(OCc2cccc(CCl)c2)ccc2c1OC(=Cc1c(Cl)cccc1Cl)C2=O 2325361379 KVEUYPLQDZCPGP-UHFFFAOYSA-N 459.756 7.236 50 10 JKGE BrCCCCCCCOCc1ccc(I)c(Br)c1 2325387350 WWTYWAILTHCKFM-UHFFFAOYSA-N 490.017 5.916 50 10 JKGE CC(C)C[C@H](NC(=O)OC(C)(C)C)C(=O)NN=Cc1ccccc1OCc1ccccc1Cl 2328824640 BIUOJBUYFDHLSZ-NRFANRHFSA-N 474.001 5.309 50 10 JKGE Cc1cc(Br)c([C@@H](Br)[C@@H]2[C@@H]3[C@H]2CCC3(F)F)cc1Br 2330159810 DSWRHVJWLYPPTB-GIMBAOAISA-N 458.966 6.247 50 10 JKGE CCCOc1ccc(-c2csc(C(C#N)=C(O)C=Cc3cccc([N+](=O)[O-])c3)n2)cc1OCCC 2331293504 SKLZHFNNNMGSCI-UHFFFAOYSA-N 491.569 6.802 50 10 JKGE N#CC(=C(O)CCCN1C(=O)c2ccc([N+](=O)[O-])cc2C1=O)c1nc(-c2ccc(Cl)cc2)cs1 2331300511 MFICKXWBFVNLQQ-UHFFFAOYSA-N 494.916 5.241 50 10 JKGE CCCOc1ccc(-c2csc(C(C#N)=C(O)CCCOc3ccc4ccccc4c3)n2)cc1 2331318161 BCMNSLKDIDEGHK-UHFFFAOYSA-N 470.594 7.404 50 10 JKGE COc1cc(C)c(-c2csc(C(C#N)=C(O)[C@H]3CC(=O)N(C(C)(C)C)C3)n2)cc1C(C)C 2331354014 YMBJFCHZBZCPSC-INIZCTEOSA-N 453.608 5.690 50 10 JKGE CCCc1ccc(OCC(O)=C(C#N)c2nc(-c3cc(OCC)ccc3OCC)cs2)cc1 2331376427 CYVXQDVYSRXMSX-UHFFFAOYSA-N 464.587 6.432 50 10 JKGE COc1ccc(Cl)cc1-c1csc(C(C#N)=C(O)[C@H]2CC(=O)N([C@@H](C)c3ccccc3)C2)n1 2331410849 KSSMUMMATGIJLR-RDJZCZTQSA-N 479.989 5.874 50 10 JKGE COc1cc(C)c(-c2csc(C(C#N)=Cc3c(OC)ccc4ccccc34)n2)cc1C(C)C 2331463365 AEXBZRRRLWUOQG-UHFFFAOYSA-N 454.595 7.477 50 10 JKGE COc1cc(C=C(C#N)c2nc(-c3c(C)cc(C)cc3C)cs2)ccc1OCCc1ccccc1 2331477508 XBOUWDRSDANEHU-UHFFFAOYSA-N 480.633 7.430 50 10 JKGE Clc1ccc(C[C@]2(CBr)CC23CCCCC3)cc1I 2337228120 SWBPKGYFRIPKHS-MRXNPFEDSA-N 453.589 6.223 50 10 JKGE CC1(C)CC[C@@H](COc2c(Br)cc(CBr)cc2Br)C1 2341953598 GAZOZHYXUFVFPI-SNVBAGLBSA-N 455.028 6.312 50 10 JKGE ClC[C@H](Cc1cccc(Br)c1)Cc1ccc(Cl)c(I)c1 2362378601 ILYXDCUOTGICJL-CYBMUJFWSA-N 484.002 6.347 50 10 JKGE COc1ccc([C@@H](Br)c2c(Br)nc(C)n2C)c(Br)c1Cl 2362444556 NIRPEUGSWJMZFO-SNVBAGLBSA-N 487.417 5.400 50 10 JKGE Cc1cc(Br)c(F)c(Br)c1[C@H](Br)[C@@H]1CCC[C@H]1C(C)C 2365191906 SHTJZFPUYIRQAI-MISXGVKJSA-N 471.046 7.167 50 10 JKGE Cc1cc(Br)c(F)c(Br)c1[C@@H](Br)[C@]12CO[C@](CF)(C1)C2 2365227592 HKZUUQLROZUDEQ-MGPQQGTHSA-N 474.965 5.614 50 10 JKGE Clc1ccc(I)cc1C[C@@]1(CBr)C[C@H]2C=C[C@H]1CCC2 2380445914 CDNYTCWDOQMJMU-SUYBPPKGSA-N 465.600 6.245 50 10 JKGE CC(C)C[C@H](CBr)CN1CC[C@@H](C(F)(F)F)[C@H](CNC(=O)OC(C)(C)C)C1 2382183692 BPSMEKWFLSITBZ-BZUAXINKSA-N 459.391 5.069 50 10 JKGE ClCCN(CCCl)c1ccc(CCCCNc2c3ccccc3nc3ccccc23)cc1 26821999 RGHBKXNQJGGALZ-UHFFFAOYSA-N 466.456 7.107 50 10 JKGE Cc1ccc(C(=O)NNC(=O)[C@@]23CC[C@@](C)(c4nc5cc(Cl)c(Cl)cc5nc42)C3(C)C)cc1 33364176 HABKOYOEJXGDIM-LOSJGSFVSA-N 483.399 5.035 50 10 JKGE CC(C)COc1nc(-c2ccccc2F)n(-c2ccc(NC(=O)[C@@H](Cl)c3ccccc3)cc2)n1 33710877 VGGQLJSVHAHWRM-QHCPKHFHSA-N 478.955 6.027 50 10 JKGE Cc1ccc(-c2csc(/C(C#N)=C/c3ccccc3OCC(=O)Nc3nccs3)n2)cc1 35519701 WBKVFCBDTMXNIZ-XDHOZWIPSA-N 458.568 5.657 50 10 JKGE C=CCOc1cccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)COc4cc(C)cc(C)c4)ccc32)c1 38684585 RKZFHVZMDQVFTI-NDEPHWFRSA-N 482.536 5.071 50 10 JKGE CCOC(=O)c1ccc(NC(=O)c2oc3c(c2C)/C(=N/NC(=O)c2ccccc2Cl)CCC3)cc1 40812683 FKSSGOLOYPFVMB-ZTKZIYFRSA-N 493.947 5.141 50 10 JKGE COc1ccc(NC(=O)c2oc3c(c2C)/C(=N/NC(=O)c2ccc(-c4ccccc4)cc2)CCC3)cc1 40822756 QVNQABSAIDRTTM-WGPBWIAQSA-N 493.563 5.986 50 10 JKGE CCOc1ccc(C(=O)Oc2ccc3ccccc3c2/C=N/NC(=O)c2ccc(C(C)(C)C)cc2)cc1 48573782 HYHXVDZPFDPFME-UZWMFBFFSA-N 494.591 6.519 50 10 JKGE O=C(CBr)c1cc(OCc2ccccc2)c(OCc2ccccc2)c([N+](=O)[O-])c1 90627394 JXAIMHPTUFZOED-UHFFFAOYSA-N 456.292 5.330 50 10 JKGE CCn1nc(C)c(Br)c1COc1c(Cl)cc(Cl)cc1CBr 91326238 XBZLLONIGNJAAU-UHFFFAOYSA-N 456.993 5.755 50 10 JKGE Cc1c(Cl)c(=O)oc2cc(OP(=O)(OCCCCCl)OCCCCCl)ccc12 95818053 MPSBJALJTVPVHN-UHFFFAOYSA-N 471.701 6.313 50 10 JKGE Cc1ccc(-c2csc(/C(C#N)=C\Nc3ccccc3OC(F)(F)[C@H](F)Cl)n2)c(C)c1 102416006 XWWDLKYKGXBJQZ-RITIIEIYSA-N 463.912 6.910 50 10 JKGE 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 102915539 CMKAMRUVQONAPO-KJVDMCMJSA-N 474.726 6.612 50 10 JKGE COc1cccc(N2C(c3ccc4c(c3)OCCO4)=CS/C2=C(\C#N)c2nc3ccccc3s2)c1 102924921 FONMQQAJFHSRNK-NHFJDJAPSA-N 497.601 6.520 50 10 JKGE COc1ccc(Br)cc1[C@@H](Br)c1cc(F)cc(Br)c1 104038120 IVPHHWUINQOQFQ-AWEZNQCLSA-N 452.943 5.844 50 10 JKGE C[C@@H](Sc1nnc(Nc2cccc(Br)c2)s1)C(=O)C(C#N)=C1Nc2ccccc2N1 104866877 UUOJGFJSBZQKNK-LLVKDONJSA-N 499.419 5.367 50 10 JKGE Fc1cccc(F)c1C[C@@H](Br)c1cc(Br)ccc1Br 122879784 NJCJBQUCNJFTNB-GFCCVEGCSA-N 454.934 6.169 50 10 JKGE COc1ccc([C@@H](Br)c2cc(Br)c(Br)s2)c(OC)c1 128242462 PURUUDNHJPSKRU-GFCCVEGCSA-N 471.008 5.775 50 10 JKGE Cc1cc(Br)c([C@@H](Br)c2ccc([N+](=O)[O-])o2)cc1Br 128773417 ROUHSEBDEUPWLL-GFCCVEGCSA-N 453.912 5.506 50 10 JKGE CCOc1ccc([C@@H](Br)c2ccc(C)cc2Br)c(Br)c1 161448052 DPVWTFWXABOBNA-INIZCTEOSA-N 463.007 6.403 50 10 JKGE COC(=O)c1c(NC(=O)/C(C#N)=C\c2ccc(C(C)C)cc2)sc(C)c1-c1ccc(F)cc1 207205058 GWVKVRAPGRZPEP-MOSHPQCFSA-N 462.546 6.318 50 10 JKGE COc1ccc(/C=C/C(=O)Oc2ccc(/C=C(/C#N)c3nc(-c4cccs4)cs3)cc2)cc1 210607342 FHOSZTWVDVIZRW-KOAZRBSPSA-N 470.575 6.563 50 10 JKGE Clc1cc([C@H](Cl)Cc2ccc(Br)cc2)ccc1I 232386243 QPEILKBZVQWCAT-GFCCVEGCSA-N 455.948 6.230 50 10 JKGE Cc1ccc(F)cc1COc1c(Br)cc(CBr)cc1Br 235750579 PIFNNLMXDJFYLK-UHFFFAOYSA-N 466.970 6.133 50 10 JKGE Cc1cc([C@H](Cl)c2ccc(Br)cc2Br)c(C)cc1Br 235882591 UTDBHJLMTVEIMU-OAHLLOKOSA-N 467.426 6.919 50 10 JKGE Clc1cccc(C[C@@H](Br)c2cc(Cl)ccc2I)c1 236065366 SWZCXSPGELPINA-CYBMUJFWSA-N 455.948 6.277 50 10 JKGE Fc1ccc(F)c(COc2c(Br)cc(CBr)cc2Br)c1 236151687 DZTYGUZHEHEIJX-UHFFFAOYSA-N 470.933 5.964 50 10 JKGE CCN(CC)c1ccc(-n2c(C)cc(C=NNC(=O)COc3cccc4cccnc34)c2C)cc1 254506191 NZJOBVQBOPOVBQ-UHFFFAOYSA-N 469.589 5.018 50 10 JKGE Cc1cc(C=NNC(=O)CSC2c3ccccc3-c3ccccc32)c(C)n1-c1ccc(F)cc1 254814999 XPIAFVIFQIXSAZ-UHFFFAOYSA-N 469.585 6.187 50 10 JKGE CCc1ccc([C@@H](Cl)c2cc(I)ccc2Br)cc1CC 300464620 NNAIDNDYKHIEPV-QGZVFWFLSA-N 463.584 6.507 50 10 JKGE COc1ccc([C@@H]2CN(Cc3ccccc3)C[C@@H]2CI)cc1Br 382691715 OIIZJLVVJXJCOW-IRXDYDNUSA-N 486.191 5.108 50 10 JKGE CC(C)(C)[Si](C)(C)OCCc1ccc([C@@H]2CCCN(S(=O)(=O)c3ccccc3)CC2)cc1 616601979 OZCWTTBJWRVJAW-HSZRJFAPSA-N 473.755 6.209 50 10 JKGE CC(C)(C)[Si](C)(C)OCCN1CCCC[C@H](c2ccc(CO[Si](C)(C)C(C)(C)C)cc2)C1 616629899 WDBRKJORQVQJHZ-VWLOTQADSA-N 477.882 7.800 50 10 JKGE CC(C)(C)[Si](C)(C)OCCc1cccc([C@@H]2CCOCCN2CCO[Si](C)(C)C(C)(C)C)c1 616657383 XCEWWFDKXBUNDN-VWLOTQADSA-N 493.881 7.036 50 10 JKGE Fc1ccc([C@@H](Br)c2ccccc2I)c(F)c1Br 691538649 IIDMTPPLPDLDML-NSHDSACASA-N 487.907 5.816 50 10 JKGE CN1C(=O)Cc2cc([C@H](Br)c3scc(Br)c3Br)ccc21 705462447 GLPDFOCVBDNWJP-LBPRGKRZSA-N 480.019 5.276 50 10 JKGE BrCC(CBr)(Cc1ncc(Br)s1)C1CCCCC1 713641085 XRJAANCSGMLILL-UHFFFAOYSA-N 460.073 5.805 50 10 JKGE ClCc1cc(Br)cc(Br)c1OCc1sncc1Br 719816985 IHYHGCSJOSZKEK-UHFFFAOYSA-N 476.415 5.748 50 10 JKGE BrC[C@H](Cc1cccc(Br)c1)Cc1sncc1Br 719830572 QAOJFHVRLJOXEA-SNVBAGLBSA-N 454.025 5.464 50 10 JKGE Fc1ccc([C@H](Br)c2ccc(I)c(Br)c2)cc1F 721590920 AZZKJRQXVOFULY-CYBMUJFWSA-N 487.907 5.816 50 10 JKGE COC[C@H](COc1c(Br)cc(Br)cc1CBr)C(C)C 721971560 IJCDLKOAVDQOMD-LLVKDONJSA-N 459.016 5.404 50 10 JKGE COc1cccc(C(=O)NN=C2CCCc3oc(C(=O)Nc4cccc5ccccc45)c(C)c32)c1 1772749031 GLKBYVYCZGHRJS-UHFFFAOYSA-N 467.525 5.473 50 10 JKGE CCCCOc1ccc(C=NNC(=O)CCCOc2ccc(C(C)(C)C)cc2Br)cc1 1772755486 JFXKNSXSPUGNKX-UHFFFAOYSA-N 489.454 6.235 50 10 JKGE CN(C)c1ccc([C@H]2C(C#N)=C(N)Oc3c2c(-c2ccccc2)nn3-c2cccc3ccccc23)cc1 1865684337 WURLMNLZBFXVCG-MHZLTWQESA-N 483.575 5.977 50 10 JKGE N#CC1=C(N)Oc2c(c(C(F)(F)F)nn2-c2ccc(Cl)cc2)[C@@H]1c1c(Cl)cccc1Cl 1865686232 SPWFOJNVSYYLQJ-AWEZNQCLSA-N 485.680 6.069 50 10 JKGE N#CC1=C(N)Oc2c(c(C(F)(F)F)nn2-c2ccc(Cl)cc2)[C@@H]1c1ccccc1Cl 1865686735 ZVSODNKBUSYKSS-OAHLLOKOSA-N 451.235 5.416 50 10 JKGE Cc1ccccc1[C@@H]1C(C#N)=C(N)Oc2c1c(-c1ccccc1)nn2-c1cccc2ccccc12 1865713360 XEIKLIWRZYLENM-AREMUKBSSA-N 454.533 6.219 50 10 JKGE Cc1nc(-c2ccc(Cl)cc2Cl)ccc1C(=O)NNC(=O)Cc1ccc(Br)s1 1865759878 WVLJUEXMFDKGRC-UHFFFAOYSA-N 499.217 5.192 50 10 JKGE CCOC(=O)c1c(-c2ccc(C)cc2)csc1NC(=O)/C(C#N)=C/c1cccc(Br)c1 1866131768 MPCQWNCCDXVZNA-WOJGMQOQSA-N 495.398 6.208 50 10 JKGE COCCc1nc(Nc2ccc(SC#N)cc2)cc(N2CCc3cc4ccccc4nc32)n1 1868253649 OZHMPMAMMSYBHR-UHFFFAOYSA-N 454.559 5.225 50 10 JKGE CCCc1nc(Nc2ccc(SC#N)cc2)cc(N(Cc2cccnc2)c2cccc(C)c2)n1 1868389580 YATJWVWHOJWTQB-UHFFFAOYSA-N 466.614 6.788 50 10 JKGE CCCCOc1ccc(/C(O)=C(\C#N)c2nc(-c3cccc(Cl)c3)cs2)cc1OCC 1872747946 AFBGBHPJSQQVTI-NMWGTECJSA-N 454.979 6.991 50 10 JKGE C[C@H](Oc1ccc(Cl)cc1Br)/C(O)=C(\C#N)c1nc(-c2cccc(Cl)c2)cs1 1872748302 RTNYUIOAMSKUKV-HSHIVQNRSA-N 496.213 7.140 50 10 JKGE COc1ccc(C/C(O)=C(\C#N)c2nc(-c3cc(C(C)(C)C)ccc3OC)cs2)cc1OC 1872751875 XUTYEUZPMUWNJE-VZCXRCSSSA-N 464.587 6.169 50 10 JKGE COc1ccc(-c2csc(/C(C#N)=C(O)/C=C\c3ccc(Cl)cc3)n2)c(OC)c1OC 1872759281 JLNZBGAEMKZYAQ-FBRQMWEYSA-N 454.935 5.995 50 10 JKGE CCOc1c(/C=C(\C#N)c2nc(-c3cc(Cl)cc(Cl)c3OC)cs2)cccc1OC 1872792587 HDIXRLATWYPELE-RIYZIHGNSA-N 461.370 6.597 50 10 JKGE COc1ccc(-c2csc(/C(C#N)=C/c3ccc(OCc4ccccc4Cl)cc3)n2)cc1Cl 1872794832 YVCPDFUFOGJALJ-UDWIEESQSA-N 493.415 7.769 50 10 JKGE Cl[C@H](c1cscc1Br)c1cc(Br)ccc1OCc1ccccc1 1899866619 XMDRMMAAQTUCNX-SFHVURJKSA-N 472.629 7.180 50 10 JKGE C[C@H](Cl)c1nc2c(Br)cc(F)cc2n1[C@H]1CCCN(Cc2ccccc2)C1 1912664002 KRFGZUJPSBNHPH-YOEHRIQHSA-N 450.783 6.075 50 10 JKGE O=S(=O)(c1cc(Cl)sc1Cl)N(Cc1ccccc1)[C@H](CBr)C1CC1 1915171094 WHRQODSWGSTLMI-CYBMUJFWSA-N 469.253 5.419 50 10 JKGE Clc1c(Br)sc(Br)c1[C@H](Br)CC[C@@H]1CCOC1 1923050119 QMNIFXBGZCIRPU-RNFRBKRXSA-N 467.448 6.179 50 10 JKGE CC[C@@]1([C@@H](Br)c2c(Br)sc(Br)c2Cl)CCCO1 1923067710 HKBNEWIQBFGESE-KWQFWETISA-N 467.448 6.322 50 10 JKGE CC1CC(C)([C@H](Br)c2c(Br)sc(Br)c2Cl)C1 1923068997 ZXTUPKUCDXFITO-GBZMYTLWSA-N 451.449 6.799 50 10 JKGE Cl[C@@H](Cc1ccncc1Br)c1c(Br)cccc1Br 1924015185 BUKXBBGXLCOOSQ-LBPRGKRZSA-N 454.387 5.892 50 10 JKGE C[C@@H](c1ccncc1Br)[C@@H](Br)c1ccc(Br)c(F)c1 1924037762 BUDUBPMLVANNEX-RMLUDKJBSA-N 451.959 5.985 50 10 JKGE Brc1ccsc1[C@H](Br)Cc1ccccc1I 1935652849 CNFPHNDYVWMPOE-SNVBAGLBSA-N 471.983 5.794 50 10 JKGE CC1(C)C[C@@H](C[C@H](Br)c2c(Br)sc(Br)c2Cl)CO1 2041481537 FGXPVEVPHZNEAZ-RQJHMYQMSA-N 481.475 6.568 50 10 JKGE CCOC(=O)c1ccc(-c2ccc(C=C(C#N)c3nc(O)c4c5c(sc4n3)C[C@H](C)CC5)o2)cc1 2042445905 GJUIBNFBNNIMKF-OAHLLOKOSA-N 485.565 6.023 50 10 JKGE Brc1csc([C@@H](Br)c2cc3c(cc2Br)OCC3)c1 2052450196 JXNNZNXVTKFWDX-ZDUSSCGKSA-N 452.993 5.692 50 10 JKGE Brc1cc(Br)c([C@@H](Br)[C@@H]2CCCCC23CCC3)s1 2053387435 RQEWBOUQWOOMEJ-CABZTGNLSA-N 457.069 7.070 50 10 JKGE CCc1cc(Br)c([C@H](Br)c2nn(CC)cc2Br)s1 2060854969 BEWOTPURCUPMQZ-SNVBAGLBSA-N 457.029 5.536 50 10 JKGE Fc1ccc(I)cc1[C@@H](Br)c1cc2sccc2s1 2084770362 SOICSIURJVPOBL-CYBMUJFWSA-N 453.139 6.191 50 10 JKGE Brc1cc([C@H](Br)c2ccc(I)cc2)cc2c1OCC2 2090462147 XAPQKMUDTSECEH-CQSZACIVSA-N 493.964 5.473 50 10 JKGE Clc1ccc(CC[C@@H](Br)c2cccc(Br)c2)cc1Br 2113448732 DIVKPWCVOVYXRW-CYBMUJFWSA-N 467.426 6.934 50 10 JKGE CC(C)(CBr)[C@@H]1CCCN1Cc1cc(Br)ccc1Br 2118526206 CHROIUJNHCWZCG-AWEZNQCLSA-N 454.044 5.597 50 10 JKGE C[C@H](N(Cc1ccccc1)S(=O)(=O)c1cc(CBr)ccc1Cl)C(C)(C)C 2123198832 JMMBUTBXEKRXKI-HNNXBMFYSA-N 458.849 5.860 50 10 JKGE C[C@@H](c1cc(Br)cs1)N(C)c1ccc(CBr)cc1Br 2130022443 RDVKUZMOVALKGH-VIFPVBQESA-N 468.052 6.365 50 10 JKGE COc1cc([C@H](Br)c2c(Br)sc(C)c2C)ccc1Br 2138266550 FVIYCFBHDZESOB-ZDUSSCGKSA-N 469.036 6.383 50 10 JKGE COc1cc(Br)c(C)cc1[C@@H](Br)c1ccc(Br)c(Cl)c1 2145957757 RGDFVRPSJAYCDS-HNNXBMFYSA-N 483.425 6.666 50 10 JKGE C[C@@H]1CCC[C@](CBr)(NC(=O)c2cccc(Br)c2Br)C1 2148770496 PBJOEEAMNGROHW-BMIGLBTASA-N 468.027 5.285 50 10 JKGE O=S(=O)(c1cc(CCl)c(Cl)cc1Cl)N(CCC(F)(F)F)Cc1ccccc1 2152211749 RKJNJOCLDJZGOU-UHFFFAOYSA-N 460.732 5.876 50 10 JKGE BrCc1cc(Br)c(OCC23CCC(CC2)OC3)c(Br)c1 2192686072 HJNUPJSMQYXWQJ-UHFFFAOYSA-N 469.011 5.445 50 10 JKGE CCCCCc1ccc([C@@H](Br)c2cccc(C)c2I)s1 2197256494 DHMAZRLQDIDAOK-INIZCTEOSA-N 463.222 6.878 50 10 JKGE Cc1cc(Br)c(C)c([C@H](Br)[C@@]23CCC[C@@H](C2)OC3)c1Br 2201068324 QDQVIKBFTGCOOI-UVBJJODRSA-N 467.039 6.224 50 10 JKGE COc1cc(Cl)c([C@@H](Br)c2c(C)nn(C)c2Br)cc1Br 2202351423 JDDUYYFZXCPJMP-GFCCVEGCSA-N 487.417 5.400 50 10 JKGE Cc1c(Br)ccc([C@@H](Br)[C@H]2COc3ccccc32)c1Br 2203685045 IYUFADAKBIFTFH-BLLLJJGKSA-N 460.991 6.132 50 10 JKGE C[C@@H](Br)CC#Cc1sc(Br)c(Br)c1Br 2209978424 XRLDOEHCRIHNSN-RXMQYKEDSA-N 465.830 5.561 50 10 JKGE Clc1cc(Br)c([C@@H](Br)c2occc2Br)c(Cl)c1Cl 2217612075 ACYYKKBKEYBGKC-MRVPVSSYSA-N 498.223 7.249 50 10 JKGE Cc1cc(Cl)c(Br)cc1[C@H](Br)c1scc(Br)c1C 2219002829 LKXLSEIVGWCSJH-LBPRGKRZSA-N 473.455 7.028 50 10 JKGE FC(F)(F)[C@@H]1CCO[C@@H]1[C@H](Br)c1ccc(Br)cc1Br 2231813184 OHKNFGUWHNWIHY-IEBDPFPHSA-N 466.917 5.615 50 10 JKGE Fc1ccc([C@@H](Br)c2c(Br)cc(Cl)c(Cl)c2Cl)cc1F 2232515088 YPCZGXANFOOURA-LLVKDONJSA-N 465.346 7.172 50 10 JKGE Clc1cc(CN2CC[C@@H]3[C@H](Br)CCC[C@H]3C2)ccc1I 2233836443 KZUZTPVPUOCCLM-MELADBBJSA-N 468.604 5.330 50 10 JKGE Cc1c(Br)csc1[C@H](Br)c1cc2c(cc1Br)NC(=O)C2 2234515008 FSRNJICHNKGEFZ-CYBMUJFWSA-N 480.019 5.560 50 10 JKGE Cc1cc(Br)c([C@H](Br)[C@@H]2[C@H](C)O[C@H](C)[C@H]2C)c(C)c1Br 2235604256 NCADRVQZFIVICN-HRDVVGCCSA-N 469.055 6.324 50 10 JKGE Cc1cc(Br)c([C@H](Br)[C@H]2CCCCC2(C)C)c(C)c1Br 2235605088 QIDSEIHBWXBKDX-MLGOLLRUSA-N 467.083 7.481 50 10 JKGE Brc1cc(Br)cc(C[C@H](Br)[C@H]2C[C@@H](Br)C2)c1 2246002857 ZAFUNRWRXYPVQF-AXTRIDKLSA-N 475.844 5.691 50 10 JKGE CC(C)[C@@H](CCl)N(Cc1ccccc1)C(=O)c1c(F)cccc1I 2247967421 ITHLSMPTQDNZCK-QGZVFWFLSA-N 459.730 5.336 50 10 JKGE CC(C)[C@@H](CBr)N(Cc1ccccc1)c1nc2ccc(Br)cc2s1 2253384754 ZOOHLYNNQXBFAR-QGZVFWFLSA-N 468.258 6.485 50 10 JKGE Fc1cc([C@H](Br)c2sc(Cl)cc2Br)c(F)cc1Br 2255682412 GROYGZMRGBIBEY-JTQLQIEISA-N 481.381 6.689 50 10 JKGE COc1ccc([C@H](Br)c2ccoc2Br)c(Br)c1Cl 2256324770 FUPHNVVFTHBSKT-VIFPVBQESA-N 459.359 5.951 50 10 JKGE CN(Cc1cccc(I)c1)c1cc(Cl)ccc1CBr 2265532886 OKGHJNAYWJQZRI-UHFFFAOYSA-N 450.545 5.476 50 10 JKGE Cc1cc(F)c([C@@H](Br)c2ccc(Cl)c(I)c2)cc1C 2268276746 WINZXELJYGQPSS-HNNXBMFYSA-N 453.520 6.185 50 10 JKGE COc1ccc([C@@H](Br)Cc2cccc(Cl)c2)cc1I 2269541281 HUDZJKQNXGEJGE-ZDUSSCGKSA-N 451.529 5.632 50 10 JKGE CCn1cc([C@@H](Br)c2cc3sc(Br)cc3s2)nc1Br 2278109217 YBLNQHOUSPWLSZ-LLVKDONJSA-N 485.064 6.189 50 10 JKGE CC1CCC2(CC1)[C@H](Br)C[C@H]2Oc1cc(I)ccc1Cl 2288257903 TWILMESDOUQUAP-AFXUSDCHSA-N 469.588 6.056 50 10 JKGE Fc1cc(Br)c(F)c(Br)c1[C@@H](Br)[C@H]1[C@H]2CCCCC[C@H]21 2288351879 DVEHMOOQOAULLG-XXEYQXHCSA-N 472.993 6.752 50 10 JKGE CC1(C)[C@H]2CO[C@@]1(COc1c(Br)cc(Br)cc1CBr)C2 2288963609 JVLPJOZNBXNNCR-MEBBXXQBSA-N 469.011 5.300 50 10 JKGE CCCCCCOc1ccc(C=C(C#N)C(=O)Nc2ncc(Cc3cccc(Cl)c3)s2)cc1 2293038677 SSYRAFAHHOTXGB-UHFFFAOYSA-N 480.033 6.892 50 10 JKGE CCCSc1ccc(-c2nn(-c3ccccc3)cc2C=C(C#N)C(=O)NC[C@H]2CCCO2)cc1 2296731311 MQNBFILSWWYZED-XMMPIXPASA-N 472.614 5.244 50 10 JKGE N#CC(=CNc1cc(C(F)(F)F)ccc1Cl)c1nc(-c2cc3ccccc3oc2=O)cs1 2296790225 XYELXMBCTBWVJM-UHFFFAOYSA-N 473.863 6.565 50 10 JKGE CCOC(=O)c1c(-c2ccc(F)cc2)csc1NC(=O)C(C#N)=Cc1ccc(Br)o1 2296834502 ZLXLRPMIZRAVDA-UHFFFAOYSA-N 489.322 5.632 50 10 JKGE N#CC(=CNc1ccc(Cl)c(Cl)c1)c1nc(-c2cc3c(ccc4ccccc43)oc2=O)cs1 2297449872 SSMUOWUYTBCWNY-UHFFFAOYSA-N 490.371 7.353 50 10 JKGE FC1(F)CC[C@H]([C@H](Br)c2ccc(OCc3ccccc3)cc2Br)C1 2299496944 PJNGXNLUYRFAGU-KSSFIOAISA-N 460.156 6.900 50 10 JKGE CCCc1sc(Br)cc1[C@H](Br)c1nscc1Br 2300649297 UAJDUGIOJVVSDC-JTQLQIEISA-N 460.054 6.166 50 10 JKGE Clc1ccc(C[C@@H](Br)c2sc(Cl)cc2I)cc1 2301082706 BPGWFIVGRZNULC-SECBINFHSA-N 461.977 6.338 50 10 JKGE Cc1cc(C=C(C#N)c2cccc(Br)c2)c(C)n1-c1ccc(C(=O)O)c(Cl)c1 2313545724 AWOPFFDHWHBTFG-UHFFFAOYSA-N 455.739 6.272 50 10 JKGE N#CC(=Cc1ccc(OCc2c(Cl)cccc2Cl)cc1)C(=O)Nc1ccc(Cl)c(Cl)c1 2313630464 AHJVJLXJLTWQIW-UHFFFAOYSA-N 492.189 7.425 50 10 JKGE COc1cccc(C=C(C#N)C(=O)Nc2cccc(Cl)c2)c1OCc1ccc(Cl)c(Cl)c1 2313631381 PFVYRQKWNDNIFY-UHFFFAOYSA-N 487.770 6.780 50 10 JKGE COc1ccc(NC(=O)C(C#N)=Cc2ccccc2OCc2ccc(Br)cc2)cc1 2313730202 FAVMIXVJETYDEI-UHFFFAOYSA-N 463.331 5.582 50 10 JKGE Cc1cccc(C)c1[C@@H](Br)c1cc(Br)ccc1OCc1ccccc1 2314449565 QZSRFKMGZNVLAX-QFIPXVFZSA-N 460.209 7.129 50 10 JKGE Cc1cccc([C@H](Br)c2cc(Br)ccc2OCc2ccccc2)c1Cl 2314488479 IUHXGKKULPFZNG-FQEVSTJZSA-N 480.627 7.474 50 10 JKGE Fc1ccc([C@H](Cl)c2ccc(OCc3ccccc3)cc2Br)c(Br)c1 2314498111 QNDRKOCLNIVOCZ-FQEVSTJZSA-N 484.590 7.258 50 10 JKGE CCOC(=O)c1c(NC(=O)C(C#N)=Cc2ccc(OC)c(OC)c2)sc2c1CC[C@@H](CC)C2 2314571534 GTIXVUIUSPBUNM-OAHLLOKOSA-N 468.575 5.003 50 10 JKGE CCCCc1ccc(C[C@H]2SC(=C(C#N)C(=O)NC)N(c3ccc(C(C)C)cc3)C2=O)cc1 2314593997 XGYFJKULUVSIQI-XMMPIXPASA-N 461.631 5.325 50 10 JKGE FC1(F)C[C@]12CC[C@@H]([C@H](Br)c1sc(Cl)cc1I)C2 2316777307 LWIVCSVDUVFJKU-OUAIYISWSA-N 467.544 6.268 50 10 JKGE N#CC(=C(O)c1ccccc1I)c1nc(-c2ccc3ccccc3c2)cs1 2331239198 UFMFRPKZLLPGPV-UHFFFAOYSA-N 480.330 6.518 50 10 JKGE COc1ccc(-c2csc(C(C#N)=C(O)CNC(=O)c3ccc(Cl)cc3Cl)n2)cc1OC 2331242386 VXEGAXIYOFFYNX-UHFFFAOYSA-N 490.368 5.357 50 10 JKGE COc1ccc(OCC(O)=C(C#N)c2nc(-c3ccccc3OC)cs2)c(C(C)(C)C)c1 2331281993 QXVMEHPLNFQOON-UHFFFAOYSA-N 450.560 5.996 50 10 JKGE CCCOc1ccc(-c2csc(C(C#N)=C(O)c3cccc(Br)c3)n2)cc1OCCC 2331293318 WHTZYMLRPMAICY-UHFFFAOYSA-N 499.430 7.100 50 10 JKGE COc1cc(C(O)=C(C#N)c2nc(-c3cccs3)cs2)c(Br)c(OC)c1OC 2331326356 YUVMVPWYHOJEFW-UHFFFAOYSA-N 479.377 5.610 50 10 JKGE Cc1ccc(-c2csc(C(C#N)=Cc3cc(Br)cc(Br)c3O)n2)cc1C 2331472938 HKYCZBFPSRFBOO-UHFFFAOYSA-N 490.220 6.722 50 10 JKGE CC(C)c1ccc([C@@H](Br)c2ccc(OCc3ccccc3)cc2Br)cc1 2336051487 SEBIKSZYDNMTQM-HSZRJFAPSA-N 474.236 7.636 50 10 JKGE Fc1ccc(F)c([C@@H](Br)c2cc(Br)ccc2OCc2ccccc2)c1F 2336051996 XACFYKQZXKPOMO-IBGZPJMESA-N 486.125 6.930 50 10 JKGE Brc1cc(OCc2ccccc2)ccc1[C@@H](Br)c1ccc2scnc2c1 2336071620 FENDJVVNRFBLDB-NRFANRHFSA-N 489.232 7.122 50 10 JKGE CC1(C)[C@H]([C@H](Br)c2c(Cl)cc(Br)c(F)c2Br)C1(F)F 2337085524 ZGMZMNFFQDWBTF-SCZZXKLOSA-N 485.363 6.731 50 10 JKGE C[C@@H]1OC2([C@H](Br)c3c(Cl)cc(Br)c(F)c3Br)CC1C2 2337086720 PFNNSEILQPAIKJ-UPDSPZSASA-N 477.393 6.008 50 10 JKGE CC[C@@H]1CC[C@H]([C@@H](Br)c2c(Cl)cc(Br)c(F)c2Br)O1 2337086737 PMCDBGJCZNPTNA-KNBVPPQFSA-N 479.409 6.398 50 10 JKGE CCCc1sc(Br)cc1[C@H](Br)c1cccc(F)c1Br 2338021807 RZWMBHFNPPHMFA-CYBMUJFWSA-N 471.027 6.849 50 10 JKGE Cc1cnc(OCc2cc(I)ccc2Br)c(CCl)c1 2341552451 OOVINUVYKFHNBP-UHFFFAOYSA-N 452.517 5.075 50 10 JKGE CC1(C)OCCC[C@]1(CBr)Cc1cc(I)ccc1Cl 2352349116 ZKTCAXXGCFDQBF-OAHLLOKOSA-N 457.577 5.457 50 10 JKGE Clc1ccc(I)cc1CN1C[C@@H](Br)CC12CCCC2 2352416710 YJWRAMLBPZMDKB-LBPRGKRZSA-N 454.577 5.227 50 10 JKGE CC1(C)CC12CC(CBr)(Cc1cc(I)ccc1Cl)C2 2352424650 WQXHYJGDMRYONZ-UHFFFAOYSA-N 453.589 6.079 50 10 JKGE Fc1c(Br)cc(Cl)c([C@H](Cl)Cc2ccccc2Cl)c1Br 2362236271 BYEJNIHLSZQWIT-SNVBAGLBSA-N 461.383 7.180 50 10 JKGE Clc1ccc(I)c(C[C@@]2(CBr)C[C@H]3C=C[C@H]2CCC3)c1 2363958064 KWVJCBLFCYCWKX-SUYBPPKGSA-N 465.600 6.245 50 10 JKGE Cc1cc(Br)c(F)c(Br)c1[C@@H](Br)C[C@H]1CCC12CCC2 2365192834 XHXGNYCICZNIKE-MNOVXSKESA-N 469.030 7.066 50 10 JKGE Cc1cc(Br)c(CCl)c(OCc2ccc(Cl)cc2I)c1 2365647229 HXJABMSKJMHPTQ-UHFFFAOYSA-N 485.974 6.333 50 10 JKGE CC[C@H](Oc1ccccc1[C@@H](C)CC)C(=O)NNC(=O)c1ccc(OCc2ccccc2)cc1 10683860 RGTSPPDGMVUIHS-CPJSRVTESA-N 460.574 5.398 50 10 JKGE CCc1ccc(OCC(=O)N/N=C/c2cccc(Oc3ccccc3)c2)c(Br)c1 14014945 LRUMDUKVNQHCGE-MFKUBSTISA-N 453.336 5.333 50 10 JKGE CC(=O)Nc1ccc(/C(C)=N\NC(=O)c2ccc(OCc3ccc(Br)cc3)cc2)cc1 20157414 NXHYNRIXWDWGJS-YUMHPJSZSA-N 480.362 5.141 50 10 JKGE O=C(N/N=C/c1c(OCc2cccc(Br)c2)ccc2ccccc12)c1ccc(Cl)cc1 20533946 JMZSDMVDNPKEKI-RWPZCVJISA-N 493.788 6.599 50 10 JKGE COc1ccc(/C=C/C(=O)Oc2ccc(/C=C(/C#N)c3cccc(Cl)c3)cc2OC)cc1OC 31902410 ZFWLVYLCARHCDC-FTTJZNGKSA-N 475.928 6.049 50 10 JKGE CCOc1cc(/C=N/NC(=O)CSc2nc3ccccc3s2)ccc1OCc1ccccc1C 32520512 OORBYCPMJIOLFA-JFLMPSFJSA-N 491.638 5.825 50 10 JKGE Cc1c(Cl)cccc1N(C(=O)CCl)[C@H](C(=O)N[C@H]1CCCC[C@@H]1C)c1ccccc1Cl 33404645 UVAILIYOFRBEED-RSDPBLMXSA-N 481.851 6.310 50 10 JKGE CC(C)(C)c1ccc(/C=N\NC(=O)CSc2nc3ccccc3n2Cc2ccccc2Cl)cc1 33935271 NUEHYSKSEPVRFR-MWLSYYOVSA-N 491.060 6.278 50 10 JKGE CCOc1ccc(-c2c(C)sc(NC(=O)/C(C#N)=C\c3ccc(OC)cc3)c2C(=O)OC)cc1 35058197 SGEQNOWFGNDURG-RGEXLXHISA-N 476.554 5.463 50 10 JKGE COc1cccc(-c2nn(-c3ccccc3)cc2/C=C(\C#N)S(=O)(=O)c2ccc(C)cc2)c1 35446360 BZUVDLUPWIAVHX-PCLIKHOPSA-N 455.539 5.195 50 10 JKGE N#C/C(=C\c1cn(-c2ccccc2)nc1-c1ccc(Cl)cc1)C(=O)Nc1cccc([N+](=O)[O-])c1 35516189 DVDNGNGXMUCOTF-QGOAFFKASA-N 469.888 5.647 50 10 JKGE N#C/C(=C/c1cccn1-c1ccc([N+](=O)[O-])cc1)c1nc(-c2cc3ccccc3oc2=O)cs1 35518637 NDAVHGOVJXJXRU-ATVHPVEESA-N 466.478 5.680 50 10 JKGE CCCN1C(=O)N[C@@H](c2ccc(NC(=O)C(C)(C)CCl)cc2)C(C(=O)OCC)=C1c1ccccc1 35710155 DEOWVAZCTXLOOY-QFIPXVFZSA-N 498.023 5.341 50 10 JKGE CCCOc1ccc(-c2nn(-c3ccccc3)cc2/C=C2/C(=O)N(CCC)C(=O)C(C#N)=C2C)c(C)c1 38603398 KIJLITNRZPNSKK-YZSQISJMSA-N 494.595 5.639 50 10 JKGE COc1ccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4ccc(Cl)cc4Cl)ccc32)c(OC)c1 38656886 QMCJTRZHWZONLY-HSZRJFAPSA-N 497.334 5.448 50 10 JKGE C=CCOc1ccc(C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@H]3c2cccc(OCC)c2)cc1 38684920 KACUDTXVTQWAHX-SANMLTNESA-N 468.509 5.087 50 10 JKGE COc1cccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4oc5cc(C)ccc5c4C)ccc32)c1OC 38688637 RDMXRNWNDZSBOB-VWLOTQADSA-N 496.519 5.504 50 10 JKGE Cc1c(C(=O)Nc2ccc(Oc3ccccc3)cc2)oc2c1/C(=N/NC(=O)c1ccccc1F)CCC2 40812314 YEXAOMCEQUCDCO-FEZSWGLMSA-N 497.526 6.242 50 10 JKGE CCOc1ccc2ccccc2c1/C=N/NC(=O)CSc1nc(-c2ccc(Cl)cc2)cs1 40924846 MOZHHFXUJTYEGL-LGJNPRDNSA-N 482.030 6.258 50 10 JKGE COc1cc(/C=C(\C#N)C(=O)Nc2ccc(Cl)cc2)ccc1OCc1ccc(Cl)cc1 59116935 NQPYZGCOIYSKMM-LDADJPATSA-N 453.325 6.127 50 10 JKGE O=C(N/N=C/c1ccc(-c2ccc(Cl)cc2[N+](=O)[O-])o1)c1cc2cc(Br)ccc2o1 59305056 XIHXTGBBFFDHIU-AUEPDCJTSA-N 488.681 5.781 50 10 JKGE O=C(N/N=C/c1ccc2c3c(cccc13)CC2)c1ccc(OCc2ccc(Br)cc2)cc1 59377896 BSYBOHPUCYKFJG-MUFRIFMGSA-N 485.381 6.044 50 10 JKGE N#C/C(=C(\Nc1cccc(Cl)c1)SCc1ccccc1F)S(=O)(=O)c1ccccc1 96482172 VTHSVXCKHGOBFB-DQRAZIAOSA-N 458.967 5.991 50 10 JKGE Fc1cc(Br)ccc1[C@H](Br)c1cc(Cl)c(Br)cc1F 97895889 FCQSURVKMFNLMZ-ZDUSSCGKSA-N 475.352 6.628 50 10 JKGE CCc1ccc(-c2csc(/C(C#N)=C\Nc3ccccc3OC(F)(F)[C@@H](F)Cl)n2)cc1 102419915 MJAIXSOSBBNFCP-MJGOQDMVSA-N 463.912 6.855 50 10 JKGE N#C/C(=C/c1ccc(-c2cc(C(F)(F)F)ccc2Cl)o1)C(=O)Nc1ccc(Cl)c(Cl)c1 102957608 LFAKUWWVWYSMHG-XFFZJAGNSA-N 485.676 7.471 50 10 JKGE COc1c(Br)cc(Cl)cc1[C@@H](Br)c1ccc(Br)cc1F 109836420 DLOPYUXOKSINKT-ZDUSSCGKSA-N 487.388 6.497 50 10 JKGE CCCOc1cccc([C@@H](Br)c2cc(Br)c(Br)s2)c1 128263412 ZOUXXLKSBNHPOH-CYBMUJFWSA-N 469.036 6.546 50 10 JKGE CCCNC(=O)/C(C#N)=C\c1ccc(OC(=O)CCCOc2ccc(C(C)C)cc2)c(OC)c1 206992733 OIEFEDRTLCBNBE-JWGURIENSA-N 464.562 5.016 50 10 JKGE CCCCCCN1C(=O)C(C#N)=C(C)/C(=C/c2cn(-c3ccccc3)nc2-c2ccc(C)c(F)c2)C1=O 214241590 XMNJYJYRSOEMPO-XYGWBWBKSA-N 496.586 6.159 50 10 JKGE Cc1cc(Cl)ccc1N/C=C(/C#N)C(=O)Nc1ccc(I)cc1C 217254030 PMSPPMMAOIAIQK-RAXLEYEMSA-N 451.695 5.020 50 10 JKGE FC(F)(F)COCC[C@H](Br)c1cc(Br)sc1Br 232343447 MMOHFDAYHDNUGF-LURJTMIESA-N 460.935 5.678 50 10 JKGE CC[C@H](C)c1ccc([C@H](Cl)c2cc(Br)ccc2I)cc1 234024430 WMJUXDNUOMVMQR-GTNSWQLSSA-N 463.584 6.895 50 10 JKGE COc1ccc([C@@H](Br)c2cccc(C)c2I)c(Cl)c1 234983882 SDJCHJUGPDEGDS-CQSZACIVSA-N 451.529 5.746 50 10 JKGE COc1cc(C=NNC(=O)c2cccc3ccccc23)ccc1OC(=O)/C=C\c1ccccc1 254295481 VTPFYPWXIXAYMP-WIKKKOFOSA-N 450.494 5.231 50 10 JKGE O=C(Cc1ccccc1)NN=Cc1cn(-c2ccccc2)nc1-c1ccc(OCc2ccccc2)cc1 254441693 XTZRTSUMLQHEFU-UHFFFAOYSA-N 486.575 5.811 50 10 JKGE CC(=NNC(=O)c1ccc(COc2cc(C)ccc2C(C)C)cc1)c1ccc(C(C)(C)C)cc1 254505433 CSFKHWHNJYFZNR-UHFFFAOYSA-N 456.630 7.149 50 10 JKGE Cc1ccc(C(=O)Oc2ccc3ccccc3c2C=NNC(=O)COc2ccc(F)cc2)cc1 254659425 URYBXOHEDITDDT-UHFFFAOYSA-N 456.473 5.036 50 10 JKGE CCC(CC)c1ccc(OCC(=O)NN=Cc2cc([N+](=O)[O-])ccc2N2CCCCC2)cc1 254702932 JAKUYDJHYMZGFI-UHFFFAOYSA-N 452.555 5.018 50 10 JKGE CCOc1cc(C=NNC(=O)[C@H](Cc2ccccc2C)c2ccccc2)cc(Br)c1O 254814676 QNUOIXMHLMMGFT-OAQYLSRUSA-N 481.390 5.338 50 10 JKGE CCn1c(CNc2ccc(Cl)cc2)nnc1SCC(=O)NN=Cc1ccc(Cl)c(Cl)c1 254841242 OUISVKTXLCXGJN-UHFFFAOYSA-N 497.839 5.113 50 10 JKGE Cc1ccc(-c2nnc(SCC(=O)NN=C/C(Cl)=C/c3ccccc3)n2-c2ccccc2)cc1 254846235 UKZPOMTVTLEILD-HQYUYLDOSA-N 488.016 5.717 50 10 JKGE COc1ccc(Br)cc1[C@H](Br)c1cc(Cl)c(Br)s1 306108964 SPPAWXFDKVBWBW-NSHDSACASA-N 475.427 6.419 50 10 JKGE C[C@@H](Br)C[C@@H]1CCCCCN1C(=O)c1cc(Br)sc1Br 380082923 BEEYQOXDLCYIGO-ZJUUUORDSA-N 488.083 5.831 50 10 JKGE O=C(OCc1ccccc1)N1C[C@H](c2c(F)cccc2Cl)[C@@H](CI)C1 382696216 KVYIYYMXQYAGKF-GJZGRUSLSA-N 473.713 5.266 50 10 JKGE Fc1ccc([C@@H]2CN(Cc3ccccc3)C[C@@H]2CI)c(Br)c1 382697596 BJYBCFZEAVPIGS-WMLDXEAASA-N 474.155 5.239 50 10 JKGE O=C(OCc1ccccc1)N1C[C@@H](CBr)[C@H](c2c(F)cccc2Br)C1 382698415 YVGVVWPDQBFOCQ-HUUCEWRRSA-N 471.164 5.335 50 10 JKGE Fc1cc([C@H](Br)c2cc(Br)c(Br)s2)c(F)c(F)c1F 396025846 KRJRHRSJFCPAHR-ZETCQYMHSA-N 482.916 6.314 50 10 JKGE ClCc1cccc(OCc2cc(Cl)ccc2I)c1Br 405546123 WLETVOAHWDYZBA-UHFFFAOYSA-N 471.947 6.025 50 10 JKGE Fc1cc(Br)ccc1C[C@@H](Cl)c1cc(Br)sc1Br 692782910 RKZTZKQVBHNKQP-SECBINFHSA-N 477.418 6.697 50 10 JKGE C[C@@H]1[C@@H](n2c(CCCl)nc3ccc(F)c(Br)c32)CCN1Cc1ccccc1 701617188 IFDHLKLYXSYXFV-KDOFPFPSSA-N 450.783 5.555 50 10 JKGE FC1(F)CCC[C@H]1C[C@H](Br)c1cc(I)cc2c1OCC2 713975475 SHAIKOQSLYDVSN-GWCFXTLKSA-N 457.096 5.488 50 10 JKGE C[C@H]1Cc2cc(Br)cc([C@H](Br)c3ccc(Br)o3)c2O1 720030604 FALSMSVUOPUIDM-CPFSXVBKSA-N 450.952 5.612 50 10 JKGE CCOc1cc(C=NNC(=O)c2ccccc2Br)ccc1OCc1ccc(F)cc1 1084335188 FXHQQBFVSUZMAS-UHFFFAOYSA-N 471.326 5.330 50 10 JKGE CC(C)(c1ccccc1)c1ccc(OCC(=O)NN=Cc2cc(Cl)cc(Cl)c2O)cc1 1084344658 FUIIOCUENOQMMT-UHFFFAOYSA-N 457.357 5.554 50 10 JKGE C=CCc1cc(C=NNC(=O)c2cc3ccccc3o2)cc(OCC)c1OCc1ccc2c(c1)OCO2 1084467416 CWYLATAIJOWULR-UHFFFAOYSA-N 498.535 5.632 50 10 JKGE Cc1c(C(=O)Nc2ccc(Cl)cc2Cl)oc2c1C(=NNC(=O)c1ccccc1)CCC2 1772745272 WVYSDOCGTLIXPY-UHFFFAOYSA-N 456.329 5.618 50 10 JKGE COc1ccc(-c2nn(Cc3cccc(Cl)c3)c3c2[C@H](c2ccccc2F)C(C#N)=C(N)O3)cc1 1865683322 ITUQUAPXGSQOQA-HSZRJFAPSA-N 486.934 5.618 50 10 JKGE COc1ccc(-n2nc(-c3ccccc3)c3c2OC(N)=C(C#N)[C@H]3c2ccc(Cl)cc2Cl)cc1 1865686702 YSKIAFKQEWOQTA-JOCHJYFZSA-N 489.362 6.073 50 10 JKGE CCOc1ccc([C@@H]2C(C#N)=C(N)Oc3c2c(-c2ccccc2)nn3Cc2ccccc2)cc1OCC 1865689332 PYUXRLSQDWXOBZ-AREMUKBSSA-N 492.579 5.614 50 10 JKGE CCc1nn(Cc2ccc(C)cc2)c2c1[C@H](c1ccc(OCc3ccccc3)cc1)C(C#N)=C(N)O2 1865690376 PPROYOIHDRGVSJ-HHHXNRCGSA-N 476.580 5.599 50 10 JKGE CCCOc1ccc([C@@H]2C(C#N)=C(N)Oc3c2c(-c2ccccc2)nn3-c2ccccc2)cc1OCC 1865691724 ZMIJRTIVNGOALT-AREMUKBSSA-N 492.579 5.945 50 10 JKGE CCCCCCOc1ccc([C@H]2C(C#N)=C(N)Oc3c2c(C)nn3Cc2ccc(C)cc2)cc1OC 1865695851 IFZMJOCLRDVLNS-MHZLTWQESA-N 486.616 5.734 50 10 JKGE CC(C)Oc1ccccc1[C@@H]1C(C#N)=C(N)Oc2c1c(C(F)(F)F)nn2Cc1ccc(F)cc1 1865705567 ZDKNVEYIIQFPNH-LJQANCHMSA-N 472.442 5.095 50 10 JKGE N#CC1=C(N)Oc2c(c(C(F)(F)F)nn2Cc2c(F)cccc2Cl)[C@H]1c1ccc(F)cc1 1865707850 HOVYIWUCBNTMSH-INIZCTEOSA-N 466.797 5.100 50 10 JKGE N#CC1=C(N)Oc2c(c(C(F)(F)F)nn2Cc2cccc(F)c2)[C@@H]1c1ccc(C(F)(F)F)cc1 1865711207 SGFBIQXFWNHIHV-MRXNPFEDSA-N 482.359 5.326 50 10 JKGE Cc1nc(-c2ccc(Cl)cc2)ccc1C(=O)N/N=C\c1cc(Cl)cc(Br)c1O 1865762000 IALGCAYUZMUNGP-VROXFSQNSA-N 479.161 5.596 50 10 JKGE CSCC[C@@H](NC(=O)C[C@@H](c1ccccc1)C1CC1)C(=O)Nc1ccc(SC#N)cc1 1866731815 WPVMIONNRZUHLF-FCHUYYIVSA-N 453.633 5.020 50 10 JKGE Cc1ccc(C(=O)CCC(=O)N[C@H](Cc2ccccc2)C(=O)Nc2ccc(SC#N)cc2)c(C)c1 1867089818 CGAJFNHNQKMTGO-RUZDIDTESA-N 485.609 5.206 50 10 JKGE Cc1nc(Nc2ccc(SC#N)cc2)cc(N2CCc3ccccc3[C@H]2c2cccc(Cl)c2)n1 1868480415 NQERCRYQALRJSD-HHHXNRCGSA-N 484.028 6.907 50 10 JKGE O=C1/C(=C/c2cccc(Br)c2)Oc2cc(OCc3ccc(CCl)cc3)ccc21 1871437042 XBOOHBAQOPNZLX-JJFYIABZSA-N 455.735 6.383 50 10 JKGE CCOc1cc(/C=C(\C#N)c2nc(O)c3cc(OC)c(OC)cc3n2)ccc1OCc1ccc(C)cc1 1872727718 VQDLLNALYZVYDA-CIAFOILYSA-N 497.551 5.703 50 10 JKGE COc1ccc(OC)c(/C=C/C(O)=C(\C#N)c2nc(-c3ccc(Br)cc3)cs2)c1 1872746705 UNMIXXCSYKAAJI-MBEHLEGRSA-N 469.360 6.096 50 10 JKGE COc1ccc(-c2csc(/C(C#N)=C(\O)[C@@H]3CC(=O)N([C@H](C)c4ccccc4)C3)n2)cc1F 1872752456 CYXZNJWUXONCKG-MJLSSAHJSA-N 463.534 5.360 50 10 JKGE COc1ccc(-c2csc(/C(C#N)=C(\O)c3ccc(N4CCCC4)c([N+](=O)[O-])c3)n2)c(OC)c1 1872755407 LTZUJDAQETWSGN-NKFKGCMQSA-N 478.530 5.286 50 10 JKGE CCCCCCOc1ccc(/C(O)=C(\C#N)c2nc(-c3cc(C(C)(C)C)ccc3C)cs2)cc1 1872756305 WXRAPTRSRDWAQX-RFBIWTDZSA-N 474.670 8.325 50 10 JKGE COc1cc(/C=N/NC(=O)c2ccc3[nH]c4c(c3c2)CCCC4)ccc1OCc1ccc(C)cc1 1873498479 PJRGWMYJISLXHO-OCSSWDANSA-N 467.569 5.707 50 10 JKGE O=C(c1cc(Br)sc1Br)N1CC2(CCCC2)C[C@@H]1CBr 1912773068 YMCXAFJTIRUWAP-SECBINFHSA-N 486.067 5.443 50 10 JKGE CC[C@@H](Br)CN(Cc1ccccc1)C(=O)c1cccc(Br)c1Cl 1915080546 KXVRAOFPRQGCDA-CQSZACIVSA-N 459.609 5.918 50 10 JKGE Fc1c([C@@H](Cl)c2sc(Br)cc2Br)cccc1C(F)(F)F 1922882332 LAERASJVJKECKG-SECBINFHSA-N 452.492 6.759 50 10 JKGE FC(F)(F)Oc1ccc([C@@H](Cl)c2sc(Br)cc2Br)cc1 1922883702 NEAKPWNNDAKGHL-SNVBAGLBSA-N 450.501 6.500 50 10 JKGE Cc1ccc(C)c([C@H](Cl)c2c(Br)sc(Br)c2Br)c1 1924584833 CVLNPEDRJGQFJV-NSHDSACASA-N 473.455 6.981 50 10 JKGE Cc1cc(C)c([C@H](Br)c2csnc2Br)c(C)c1Br 1925249122 WSJAHAITBFJNQL-GFCCVEGCSA-N 454.025 6.078 50 10 JKGE Fc1cc(Br)cc([C@H](Br)c2c(Cl)sc(Cl)c2Cl)c1 1925590258 XFFFYQVAILPAOL-QMMMGPOBSA-N 453.385 7.094 50 10 JKGE C[C@]1([C@@H](Br)c2cc(Br)c(Br)s2)C[C@H]1C(F)(F)F 1950758144 RTWZJPPHFDYELH-FJXKBIBVSA-N 456.947 6.298 50 10 JKGE Clc1cc([C@@H](Br)c2cc(Br)c(Cl)s2)sc1Br 1981407970 VTCIQPLIYVLISY-ZETCQYMHSA-N 485.875 7.126 50 10 JKGE Cc1c([C@@H](Br)c2sc(Cl)cc2Br)c(Br)nn1C 2014541181 HMPMDNCKOJXGFA-MRVPVSSYSA-N 463.420 5.453 50 10 JKGE CCc1sc(Br)cc1[C@H](Br)c1cccc(C)c1Br 2030222299 QFKIBKGZRTYEGC-CQSZACIVSA-N 453.037 6.628 50 10 JKGE Fc1cc(Br)c([C@@H](Br)c2cc(Br)cs2)c(F)c1F 2052450192 JWJGJEVILAZPRM-VIFPVBQESA-N 464.926 6.175 50 10 JKGE C[C@@H](CCCCCBr)NC(=O)c1csc(Br)c1Br 2054160224 AXGSRPGUGHZXSF-QMMMGPOBSA-N 462.045 5.347 50 10 JKGE O=C(N[C@H](CBr)c1ccsc1)c1cc(Br)sc1Br 2055483073 FPRVQPSYHIBCLZ-MRVPVSSYSA-N 474.037 5.201 50 10 JKGE Fc1cscc1COc1c(Br)cc(CBr)cc1Br 2061474943 BDVASEQCXPOZHN-UHFFFAOYSA-N 458.972 5.886 50 10 JKGE Cc1cc(Cl)c(Br)cc1[C@H](Cl)c1ccc(I)cc1 2082381153 CHISBGNGGHLOFT-CQSZACIVSA-N 455.948 6.344 50 10 JKGE C[C@@H]1Cc2cc([C@H](Br)c3sccc3Br)cc(Br)c2O1 2090467850 RGKGMCWJEQFJDE-KRTXAFLBSA-N 467.020 6.081 50 10 JKGE C[C@H]1CCCN(Cc2cccc(Br)c2Br)[C@@H]1CCBr 2092327959 HHQXUAMXMUXBPN-SMDDNHRTSA-N 454.044 5.597 50 10 JKGE Fc1c(Cl)ccc(Br)c1C[C@@H](Br)c1ccc(Br)cc1 2113493007 IHTXLHQXNXLLSR-GFCCVEGCSA-N 471.389 6.683 50 10 JKGE CCC[C@@H](Br)c1cn(Cc2cc(Br)ccc2Br)nn1 2121064660 SIFXCSFRCJVEEM-GFCCVEGCSA-N 451.988 5.088 50 10 JKGE O=S(=O)(c1ccc(CCBr)cc1)N(Cc1ccccc1)Cc1cccs1 2123200341 GRVXUJQYQAGESF-UHFFFAOYSA-N 450.423 5.077 50 10 JKGE CCC[C@@H](C(C)C)[C@H](Br)c1c(C)c(Br)cc(C)c1Br 2136372191 XDLDPQRSGDUCMU-LRDDRELGSA-N 455.072 7.337 50 10 JKGE O=C(c1scc(Br)c1Br)N1[C@H](CBr)CCC12CCC2 2140842300 LYSJOLUYOWJPPK-QMMMGPOBSA-N 472.040 5.195 50 10 JKGE Clc1ccc(C[C@H](Br)c2cc(C3CC3)c(Br)s2)cc1Cl 2151033038 OQPWRTAOIUCQHL-NSHDSACASA-N 455.042 7.374 50 10 JKGE BrCc1cc(Br)c(OC[C@@]23CCC[C@@H]2CCO3)c(Br)c1 2152940214 BMNZHRJBAORLNK-ABAIWWIYSA-N 469.011 5.445 50 10 JKGE CC1(C)CN(Cc2ccccc2)C[C@@H]1n1c(CCl)nc2cc(Cl)c(Br)cc21 2169014994 GNYXQQWXHKQKTF-IBGZPJMESA-N 467.238 6.274 50 10 JKGE CCC[C@@H](Br)c1cn(-c2cc(OC)c(Br)cc2Br)nn1 2177556840 ALRVOLAFGHGOPX-MRVPVSSYSA-N 467.987 5.037 50 10 JKGE Brc1ccc([C@@H](CI)O[C@@H]2COC3(CCCC3)C2)cc1 2189462814 QWEGNTHDSUYJAW-LSDHHAIUSA-N 451.142 5.044 50 10 JKGE Brc1ccccc1[C@H](CI)O[C@H]1COC2(CCCC2)C1 2189463165 SXXUFPTZLGIXLD-DOMZBBRYSA-N 451.142 5.044 50 10 JKGE O=C(N[C@H](CBr)[C@@H]1CC=CCC1)c1cc(Br)cc(Br)c1 2196157715 SIKXYYAIVTUSCN-QMTHXVAHSA-N 466.011 5.061 50 10 JKGE COc1ccc([C@H](Br)c2c(Cl)cccc2Br)c(Cl)c1Cl 2203431387 CBESJMRDWBQGFW-LBPRGKRZSA-N 459.392 6.902 50 10 JKGE Cc1c(Br)ccc([C@@H](Br)c2ccc3c(c2)CCC3)c1Br 2203682616 AJTBRRFNORGJKM-KRWDZBQOSA-N 459.019 6.493 50 10 JKGE Cc1c(Br)ccc([C@@H](Br)c2scc3c2CCCC3)c1Br 2203684757 IBSFEGHJOWKENL-OAHLLOKOSA-N 479.075 6.945 50 10 JKGE O=S(=O)(Cc1ccsc1Br)N(Cc1ccccc1)C1(CBr)CCC1 2213761519 XPVQFERPYYKQBW-UHFFFAOYSA-N 493.286 5.160 50 10 JKGE Cc1cc(Br)c([C@H](Br)[C@]2(Cl)CC2(C)C)c(C)c1Br 2222052118 GEWNGGACOPURBN-GXTWGEPZSA-N 459.447 6.672 50 10 JKGE C[C@H](CC(C)(C)C)[C@@H](Br)c1c(Br)cc(Cl)c(Cl)c1Cl 2224317639 PMHRLRXCJSHACI-RDDDGLTNSA-N 451.457 7.918 50 10 JKGE COCC1(C[C@@H](Br)c2c(Br)cc(C)c(Br)c2C)CC1 2227351893 ARKOMBNODMJMBD-GFCCVEGCSA-N 455.028 6.081 50 10 JKGE Cc1cc(Br)c([C@@H](Br)C23CCC(CC2)C3)c(C)c1Br 2227359328 HEFABNFLZSOAJT-YWCUFVOSSA-N 451.040 6.845 50 10 JKGE Cc1cc(Br)c([C@@H](Br)C(C)(C)C(F)(F)F)c(C)c1Br 2227359335 HHLANQTUPSZFBD-LLVKDONJSA-N 466.961 6.853 50 10 JKGE CCOc1ccc(Br)cc1[C@H](Br)c1sc(C)cc1Br 2229325926 PBDKWADPSIYPHC-ZDUSSCGKSA-N 469.036 6.465 50 10 JKGE Cc1ccc(Br)c([C@H](Cl)c2c(Br)cc(Cl)c(Cl)c2Cl)c1 2232514939 XTTLAMIXTHSZFU-LBPRGKRZSA-N 477.838 7.808 50 10 JKGE CCc1nn(C)c([C@H](Cl)c2cc(Br)c(Br)cc2F)c1Br 2233975937 MKRYWPPQWVMKGH-GFCCVEGCSA-N 489.408 5.737 50 10 JKGE BrCc1cc(Br)c(OCCCCCCC2CC2)c(Br)c1 2234166810 QNCLUMWSSFFMFD-UHFFFAOYSA-N 469.055 6.846 50 10 JKGE Cc1cc(Br)c([C@H](Br)[C@@H]2CC3(CCC3)CO2)c(C)c1Br 2235600725 RVQUAVSTILBCTM-SWLSCSKDSA-N 467.039 6.224 50 10 JKGE Cc1cccc([C@H](Cl)c2c(Br)cc(C)c(Br)c2C)c1Br 2235605265 QXUAAMYQXVSAML-INIZCTEOSA-N 481.453 7.228 50 10 JKGE Clc1cc(Br)ccc1C[C@H](Br)c1scc(Br)c1Cl 2253595526 BUJJQIPVTVOOKN-QMMMGPOBSA-N 493.873 7.259 50 10 JKGE Clc1sc([C@H](Cl)c2cc3sc(Br)cc3s2)cc1Br 2263629794 GAFRRKZUJLIURD-JTQLQIEISA-N 463.068 7.531 50 10 JKGE Cc1cc(Cl)c(Cl)cc1[C@@H](Br)c1cc(I)ccc1F 2264373192 LKUNTSSPASYROL-CQSZACIVSA-N 473.938 6.530 50 10 JKGE Cc1ccc([C@@H](Cl)c2c(F)cccc2I)c(C)c1Br 2267662787 HNZBFGACHXHCLN-OAHLLOKOSA-N 453.520 6.138 50 10 JKGE COc1ccsc1[C@@H](Br)c1c(F)cc(Br)c(F)c1Br 2272740187 PTPDGEQBLVLTSJ-JTQLQIEISA-N 476.962 6.044 50 10 JKGE Cc1cc(Br)c([C@H](Cl)c2cccc(Cl)c2Br)c(C)c1Cl 2283194356 OMJXCYFVVACGCY-OAHLLOKOSA-N 457.420 7.463 50 10 JKGE COc1ccc([C@H](Cl)c2cccc(F)c2I)c(Br)c1Cl 2283558771 MIEXAXVRCRTPIB-LBPRGKRZSA-N 489.937 6.183 50 10 JKGE CCc1cc([C@H](Br)c2ccc(Cl)c(I)c2)c(F)cc1F 2283576722 KAOKIMKBEKTRMW-OAHLLOKOSA-N 471.510 6.270 50 10 JKGE CCCC1CCC([C@H](Br)c2ccc(OC)c(I)c2)CC1 2285003709 RQBAQGBCQLYCOB-FVKWTLKZSA-N 451.186 6.342 50 10 JKGE COc1ccc(Cl)cc1NC(=O)C(C#N)=Cc1ccc(OCc2ccc3c(c2)OCO3)c(OC)c1 2295820110 ISBHWOQQDZUDLC-UHFFFAOYSA-N 492.915 5.211 50 10 JKGE CCCCSc1ccc(-c2nn(-c3ccccc3)cc2C=C(C#N)c2nc3ccccc3n2C)cc1 2296546028 IHNYQRYEHFCCCX-UHFFFAOYSA-N 489.648 7.382 50 10 JKGE COc1ccccc1NC=C(C#N)c1nc(-c2cc3cc(Br)ccc3oc2=O)cs1 2296800719 QTFGIQBVBGQTTA-UHFFFAOYSA-N 480.343 5.664 50 10 JKGE CSC(NC(=O)c1ccccc1)=C(C#N)[C@@H](CC(=O)c1ccccc1)c1ccccc1Cl 2297551146 ROLSTKBUVWCZAT-NRFANRHFSA-N 460.986 6.225 50 10 JKGE FC(F)C(F)(F)C[C@@H](Br)c1ccc(OCc2ccccc2)cc1Br 2299489452 PKBMIIRRQXOAMZ-OAHLLOKOSA-N 470.098 6.755 50 10 JKGE Cc1cc([C@H](Br)c2ccc(OCc3ccccc3)cc2Br)sc1C 2299491415 AFKQYUCNUHACKK-HXUWFJFHSA-N 466.238 7.191 50 10 JKGE CCCN[C@H](c1cc(Br)ccc1OCc1ccccc1)[C@@H]1C[C@@H]1Br 2299496509 NTHWVIOEXVQMJM-KPFFTGBYSA-N 453.218 5.852 50 10 JKGE CC(C)C(C(C)C)[C@@H](Br)c1cc(Br)ccc1OCc1ccccc1 2299497134 WQPUHNFCZXIYID-NRFANRHFSA-N 454.246 7.392 50 10 JKGE CC12CC([C@@H](Br)c3ccc(OCc4ccccc4)cc3Br)(CO1)C2 2299530730 OVQGZLCFMHBPMO-HDYDNRTBSA-N 452.186 6.033 50 10 JKGE Brc1cc(OCc2ccccc2)ccc1[C@@H](Br)[C@H]1CCCC12CC2 2299535839 TUJBVTCCJSYWNE-UYAOXDASSA-N 450.214 7.044 50 10 JKGE BrCC1(COCc2ccc(I)c(Br)c2)CCC1 2306305577 ZPKQCIZBWWAUDJ-UHFFFAOYSA-N 473.974 5.136 50 10 JKGE Brc1cc(OCc2ccccc2)ccc1[C@@H](Br)C[C@H]1CCCOCC1 2314455565 PRRYXYZCUYUMDR-JXFKEZNVSA-N 468.229 6.671 50 10 JKGE CS(=O)(=O)C1([C@@H](Br)c2ccc(OCc3ccccc3)cc2Br)CCC1 2314499895 IDSLVVAIISFBJH-SFHVURJKSA-N 488.241 5.431 50 10 JKGE Cc1ccc(I)c([C@H](Br)c2c(Cl)sc(Cl)c2C)c1 2314508100 HRHOEFGRVXHULB-NSHDSACASA-N 476.004 6.761 50 10 JKGE COc1ccc(C=C(C#N)c2nc(-c3ccc(Br)cc3)cs2)cc1OC(C)C 2314571580 HYUYBAGRWGFAOE-UHFFFAOYSA-N 455.377 6.433 50 10 JKGE CCCCC1CCC(C(=O)Oc2ccc(C=C(C#N)c3ccc(Cl)cc3)cc2OC)CC1 2314774147 VNXLDLXXZPULHI-UHFFFAOYSA-N 451.994 7.315 50 10 JKGE Fc1c(Br)cc(Cl)c([C@H](Br)[C@@]23COC[C@H]2C3)c1Br 2315440302 QZKISIAIFTXRPG-VVEMVBODSA-N 463.366 5.477 50 10 JKGE C[C@H]([C@H](Br)c1c(Cl)cc(Br)c(F)c1Br)C(C)(C)C 2315451117 LIPARSVZZUZZSH-LDWIPMOCSA-N 465.426 7.122 50 10 JKGE Clc1cc(Cl)c(OCc2sccc2I)c(CBr)c1 2316758541 RMYWEZANBPLKTP-UHFFFAOYSA-N 477.976 6.133 50 10 JKGE COc1ccc(C(C#N)=Cc2ccc(OC(=O)COc3ccc(Cl)cc3Cl)cc2)cc1OC 2320507410 YHUISCNFYFEJRT-UHFFFAOYSA-N 484.335 6.059 50 10 JKGE CCOc1cc(C=NNC(=O)c2ccc(C)cc2)ccc1OCc1c(Cl)cccc1Cl 2323075933 UZTRNBRTLJNMHJ-UHFFFAOYSA-N 457.357 6.043 50 10 JKGE CCOc1cc(C=C(C#N)c2nc(O)c3ccccc3n2)ccc1OCc1cc(C)ccc1C 2323839641 MLEYFIUMTLGEKO-UHFFFAOYSA-N 451.526 5.994 50 10 JKGE N#CC(=CN1CCN(c2cccc(Cl)c2)CC1)C(=O)Nc1ccc(Cl)c(C(F)(F)F)c1 2325384903 RXLIFWKBSVPREO-UHFFFAOYSA-N 469.294 5.180 50 10 JKGE CC(C)Oc1ccc(CC(O)=C(C#N)c2nc(-c3ccc(-c4ccccc4)cc3)cs2)cc1 2331231726 UVQLHOXQCLYLIN-UHFFFAOYSA-N 452.579 7.300 50 10 JKGE CN(C)c1ccc(C(O)=C(C#N)c2nc(-c3ccc(Br)cc3)cs2)cc1[N+](=O)[O-] 2331260293 UMIOERXDNKRZJV-UHFFFAOYSA-N 471.336 5.497 50 10 JKGE CC[C@@H](C)[C@@H](C(O)=C(C#N)c1nc(-c2ccc(Cl)cc2)cs1)N1C(=O)c2ccccc2C1=O 2331300629 XYUSBCAUZLEKQR-SZNDQCEHSA-N 477.973 5.967 50 10 JKGE COc1cc(C)c(-c2csc(C(C#N)=C(O)[C@@H]3CC(=O)N(Cc4ccccc4)C3)n2)cc1C(C)C 2331353896 JHBKWVJDMYFPCV-HXUWFJFHSA-N 487.625 6.092 50 10 JKGE N#CC(=C(O)C=Cc1ccc(Cl)c(Cl)c1)c1nc(-c2ccc(Oc3ccccc3)cc2)cs1 2331358750 KAIDAIMSEUHIPF-UHFFFAOYSA-N 491.399 8.415 50 10 JKGE COc1c(Cl)cc(Cl)cc1-c1csc(C(C#N)=C(O)C23CC4CC(CC(C4)C2)C3)n1 2331364646 MVDHJVGOLRTGFU-UHFFFAOYSA-N 461.414 7.135 50 10 JKGE CCc1cccc(C)c1N1C[C@H](C(O)=C(C#N)c2nc(-c3ccc(OC)c(Cl)c3)cs2)CC1=O 2331398340 JMGIAZHBWFIROA-GOSISDBHSA-N 494.016 6.189 50 10 JKGE COc1cc(C)c(-c2csc(C(C#N)=C(O)c3cc(OC)c(OC)c(OC)c3)n2)cc1C 2331402593 TUWDSCTVZPEIBE-UHFFFAOYSA-N 452.532 5.411 50 10 JKGE COc1cc(C)c(-c2csc(C(C#N)=C(O)[C@@H]3CC(=O)N(Cc4ccccc4)C3)n2)cc1C 2331402682 FYECEULMHQMLFZ-LJQANCHMSA-N 459.571 5.277 50 10 JKGE CCCCOc1ccc(C=C(C#N)c2nc(-c3cc(C(C)(C)C)ccc3OC)cs2)cc1OCC 2331461029 AGCUZPVOZRSFAS-UHFFFAOYSA-N 490.669 7.758 50 10 JKGE Brc1ccc(OCc2ccccc2)c([C@H](Br)[C@@]23CCCC[C@H]2OCC3)c1 2336080513 ZOSJBUHDXBPVDL-BHIFYINESA-N 480.240 6.813 50 10 JKGE CC(F)(F)C(C)(C)[C@@H](Br)c1c(Cl)cc(Br)c(F)c1Br 2337080302 GIPWYJLKFMTMHN-JTQLQIEISA-N 487.379 7.122 50 10 JKGE Brc1ccc(OCc2ccccc2)c([C@@H](Br)[C@H]2C[C@H]3CCC[C@H]2CC3)c1 2338744984 SKEGGFGGMSNISN-DMKCZBPRSA-N 478.268 7.681 50 10 JKGE ClCc1ccc(Br)c(Cl)c1Oc1cc(Br)cc(Br)c1 2338866093 WBABHFSZPUMCGK-UHFFFAOYSA-N 489.816 7.159 50 10 JKGE Fc1cc([C@H](Br)c2c(F)cc(Cl)c(Br)c2Cl)ccc1Cl 2360424225 QQZSVHBREZARHU-NSHDSACASA-N 465.346 7.172 50 10 JKGE FCCOc1cccc([C@@H](Br)c2ccc(OCc3ccccc3)cc2Br)c1 2361200134 GYSBRDRSTVYSGJ-JOCHJYFZSA-N 494.198 6.861 50 10 JKGE COC1(C(F)(F)F)CC([C@@H](Cl)c2cc(Br)ccc2OCc2ccccc2)C1 2361210153 RABGAFOJZTVLHX-PJOPYLDSSA-N 463.721 6.666 50 10 JKGE C[C@@H]1CCC[C@@H](CO[C@@](C)(CI)c2ccccc2Br)O1 2364036962 LMLDHRPAPVVOSG-WWGRRREGSA-N 453.158 5.074 50 10 JKGE Cn1nc(Br)c(Br)c1[C@@H](Br)c1cccc2ccccc12 2364063567 KEKFJMBOXOKDAD-LBPRGKRZSA-N 458.979 5.583 50 10 JKGE Fc1c([C@H](Cl)c2sc(Cl)cc2I)cccc1C(F)(F)F 2364125303 SHHKOOKAIKMNOC-VIFPVBQESA-N 455.041 6.492 50 10 JKGE Cc1c([C@@H](Br)c2cc(Br)c(Cl)cc2F)ccc(Cl)c1Cl 2364436673 HOKLKJBONUPRBV-CYBMUJFWSA-N 461.383 7.341 50 10 JKGE COc1c(Br)cc(C)c([C@H](Cl)c2cnn(C)c2Br)c1Br 2365175556 IGVXBLIPLGQEIZ-LLVKDONJSA-N 487.417 5.353 50 10 JKGE Cc1cc(Br)c(F)c(Br)c1[C@H](Br)[C@]12COC[C@H]1C2(F)F 2365191951 SOGMDQHGSOEKII-MKCWBWRRSA-N 478.928 5.377 50 10 JKGE COc1c(Br)cc(C)c([C@@H](Br)[C@](C)(F)C(C)(C)F)c1Br 2365214404 ABRDUBFJZLGNEB-OCCSQVGLSA-N 478.997 6.441 50 10 JKGE Cc1cc(Br)c(F)c(Br)c1[C@@H](Br)[C@H]1CC2(CCC2)CO1 2365223150 KOJSVGBHPOESHP-PWSUYJOCSA-N 471.002 6.054 50 10 JKGE COc1cc([C@H](Br)c2c(F)cc(Cl)c(Br)c2Cl)sc1Cl 2365837534 FIUGMOBZLYFMRU-JTQLQIEISA-N 483.411 7.103 50 10 JKGE Clc1ccc(CN2CC[C@@H]3CC[C@@H](Br)C[C@@H]3C2)c(I)c1 2366723036 FULMEZDYFLPCMU-IACUBPJLSA-N 468.604 5.330 50 10 JKGE Clc1cc(Cl)cc(CC[C@H](Br)c2c(Cl)sc(Br)c2Cl)c1 2366797405 QSSPOSBMXPIMBQ-VIFPVBQESA-N 497.894 8.193 50 10 JKGE O=C(Cc1ccc(Cl)cc1)N/N=C1\C(=O)N(Cc2cccc3ccccc23)c2ccccc21 8781416 YZCAYIVTTPPSSS-BXVZCJGGSA-N 453.929 5.103 50 10 JKGE COc1cc(/C=C(/C#N)c2ccc(Cl)cc2)ccc1OC(=O)/C=C/c1ccc(Cl)cc1 31902181 NCHBVBFEXRAHQR-QUHNBJMYSA-N 450.321 6.685 50 10 JKGE N#C/C(=C/c1c2ccccc2cc2ccccc12)c1nnc(N2CCOCC2)n1-c1ccccc1 33907026 DRRCEOLNFKSLAV-NMWGTECJSA-N 457.537 5.474 50 10 JKGE Cc1cc([N+](=O)[O-])ccc1NC(=O)/C(C#N)=C\c1ccccc1OCc1cccc2ccccc12 33929956 UPEVQEPJFYJWJL-KQWNVCNZSA-N 463.493 6.181 50 10 JKGE CCCOc1ccc(-c2nn(-c3ccccc3)cc2/C=C(/C#N)C(=O)N2CCCCC2)cc1Cl 35447376 NFHURNAIIIQIOK-PGMHBOJBSA-N 474.992 5.901 50 10 JKGE CCCCOc1ccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)COc4cccc(C)c4)ccc32)cc1 38650808 CZPLKGSYUVSWQU-NDEPHWFRSA-N 484.552 5.377 50 10 JKGE COc1ccc(C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@H]3c2cccc(Oc3ccccc3)c2)cc1 38660761 CGLRGPGEAHWEEN-NDEPHWFRSA-N 490.515 5.925 50 10 JKGE CCCCOc1cccc(C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@H]3c2c(F)cccc2Cl)c1 38680572 TZAXPAAEBUBMEO-DEOSSOPVSA-N 492.934 6.095 50 10 JKGE O=C(CCCc1c(-c2ccccn2)[nH]c2ccc(F)cc12)NN(c1ccccc1)c1ccccc1 39852912 MHLBPSYDAOPFET-UHFFFAOYSA-N 464.544 6.561 50 10 JKGE COC(=O)c1c(NC(=O)/C(C#N)=C/c2ccc3noc(-c4ccccc4)c3c2)sc2c1CCCC2 39884922 KCLZBCSYRTVZRW-QGOAFFKASA-N 483.549 5.767 50 10 JKGE Nc1c(NNC(=O)c2ccccc2Br)ncnc1Nc1ccc(Oc2ccccc2)cc1 40785037 VKSPHQAPRCRAEC-UHFFFAOYSA-N 491.349 5.114 50 10 JKGE COc1cc(/C=N/NC(=O)COc2ccc(Br)cc2C(C)(C)C)ccc1OC(C)C 40911481 VVXHZGIYKCDTGQ-DHRITJCHSA-N 477.399 5.072 50 10 JKGE COc1cc(/C=C(/C#N)C(=O)Nc2cc(C)ccc2C)ccc1OCc1cccc(C(=O)O)c1 58834294 GKGSXQQLYDSLPN-UUYOSTAYSA-N 456.498 5.135 50 10 JKGE CCc1ccc(N2C(=O)[C@@H](Cc3ccc(F)cc3)S/C2=C(/C#N)C(=O)Nc2ccccc2C)cc1 101244925 YBCDCTUBVJDUCS-RAMZYJDASA-N 485.584 5.762 50 10 JKGE N#C/C(=C/c1ccc(-c2ccc([N+](=O)[O-])cc2Cl)o1)C(=O)Nc1nc2ccccc2s1 102443580 OTHGFBRICCZSRP-XFXZXTDPSA-N 450.863 5.664 50 10 JKGE COc1c(Br)cc(Cl)cc1[C@@H](Br)c1ccc(Br)s1 109836044 CURLXEFBDPEACU-LLVKDONJSA-N 475.427 6.419 50 10 JKGE CCOc1ccc([C@@H](Cl)c2cc(Br)c(Br)s2)cc1OCC 128283193 KGMITISCXYZPOA-CQSZACIVSA-N 454.611 6.399 50 10 JKGE COc1cc([C@H](Br)c2cc(Br)ccc2C)c(OC)cc1Br 134293884 DAUFGUOYKQJPOF-MRXNPFEDSA-N 479.006 6.022 50 10 JKGE COc1ccc(Cl)cc1NC(=O)/C(C#N)=C\N1CCN(C(c2ccccc2)c2ccccc2)CC1 217163776 JRCUSQBRERZWKA-ATJXCDBQSA-N 487.003 5.102 50 10 JKGE CCOc1ccc(C)cc1[C@H](C)NC(=O)/C(C#N)=C\Nc1cc(C(F)(F)F)cc(C(F)(F)F)c1 217186336 ODLLOFFLEOEFAF-UZFBZYOGSA-N 485.428 6.128 50 10 JKGE FC(F)(F)c1cc([C@H](Cl)c2cc(Br)c(Cl)s2)ccc1Br 227841405 RXTFUHJXUCSUSM-JTQLQIEISA-N 468.947 7.274 50 10 JKGE Clc1cc([C@@H](Br)c2ccc3c(c2)OCCO3)ccc1I 232342904 RUMCSSZOLXOLTH-OAHLLOKOSA-N 465.512 5.200 50 10 JKGE O=C(Nc1ccccc1CBr)c1cc(Br)ccc1I 232481740 LMKLDUOARFTDDT-UHFFFAOYSA-N 494.952 5.201 50 10 JKGE O=C(N[C@@H]1CCCCC[C@H]1Br)c1cc(Br)sc1Br 232485852 IZTOJHOFCAISIQ-RKDXNWHRSA-N 460.029 5.099 50 10 JKGE CCCCc1ccc([C@@H](Br)c2cc(Cl)ccc2I)cc1 233039660 JCRXNGPZWUKXGB-QGZVFWFLSA-N 463.584 6.772 50 10 JKGE COc1cc(F)c(Br)cc1[C@@H](Cl)c1cccc(I)c1 234880870 BOEYGBMSDWQVQU-AWEZNQCLSA-N 455.492 5.530 50 10 JKGE O=C(CSc1nc2ccccc2n1Cc1ccccc1)NN=Cc1ccccc1C(F)(F)F 254482086 FJHHZHLDANXBBM-UHFFFAOYSA-N 468.504 5.346 50 10 JKGE CCCCCCCCCCCCCCCCCC(=O)NN=Cc1ccccc1OCc1ccccc1 254525339 WLWVHSDAYHNRRB-UHFFFAOYSA-N 492.748 8.977 50 10 JKGE Cc1cc([C@H](Br)c2sccc2I)sc1Br 307166417 PAOJLLCTCUHAFZ-QMMMGPOBSA-N 478.012 5.969 50 10 JKGE Fc1ccc(Br)c([C@@H](Br)c2cc3c(cc2Br)OCC3)c1 308422004 YPDGOAXBUZNALD-HNNXBMFYSA-N 464.954 5.770 50 10 JKGE COc1ccc([C@H](Br)c2ccc(OCc3ccccc3)cc2)c(Br)c1 311053209 QZUSRCOGPZCZTJ-OAQYLSRUSA-N 462.181 6.521 50 10 JKGE Cc1cc(C)c([C@@H](Br)c2cnn(C)c2I)c(C)c1Br 379205785 KAPFIOKDBMTAKO-ZDUSSCGKSA-N 498.000 5.197 50 10 JKGE FC(F)(F)[C@@H](Br)c1ccc(OCc2ccccc2)cc1OCc1ccccc1 390716538 AACKMFKTISUVSE-NRFANRHFSA-N 451.282 6.843 50 10 JKGE Clc1cc([C@H](Br)c2coc(Br)c2)c(Cl)c(Cl)c1Cl 404913850 FZLAZGVNLVDZSO-MRVPVSSYSA-N 453.772 7.140 50 10 JKGE C[C@@H](Cl)c1nc2ccc(F)c(Br)c2n1[C@]1(C)CCN(Cc2ccccc2)C1 689801522 WIUOZNZGUQELAK-SPLOXXLWSA-N 450.783 5.859 50 10 JKGE C[C@H]1Cc2cc(Br)cc([C@H](Br)c3csc(Br)c3)c2O1 720033177 NUUMRHGEIQWWSG-WPPNPWJKSA-N 467.020 6.081 50 10 JKGE Cc1ccc(Br)cc1[C@@H](Br)c1sc(C)c(Br)c1C 724929014 SYATVJKNTHNQSY-CYBMUJFWSA-N 453.037 6.683 50 10 JKGE O=C(NN=Cc1cc(Br)c(Sc2ccc(Cl)cc2)o1)c1cccc([N+](=O)[O-])c1 1084030626 TZHIMKGFVVPOSY-UHFFFAOYSA-N 480.727 5.519 50 10 JKGE CC(=O)Nc1ccc(-n2c(C)cc(/C=C(\C#N)C(=O)Nc3cccc(Cl)c3Cl)c2C)cc1 1084089223 KLGKXIWGDMCRAG-LDADJPATSA-N 467.356 5.905 50 10 JKGE CCOc1cc(/C=C(/C#N)C(=O)Nc2cccc(C(F)(F)F)c2)cc(Br)c1OC 1084190299 DEXLORQMIMCCTG-QPEQYQDCSA-N 469.257 5.421 50 10 JKGE Cc1ccc(C)c(-n2c(C)c(Br)c(C=NNC(=O)COc3ccccc3)c2C)c1 1084585342 ZPTASZIXQDKAIQ-UHFFFAOYSA-N 454.368 5.003 50 10 JKGE O=C(NN=Cc1cccc(OCc2c(Cl)cccc2Cl)c1)C(=O)Nc1ccccc1Cl 1084609252 SNKSKZZFKFZGMV-UHFFFAOYSA-N 476.747 5.315 50 10 JKGE Cc1c(C(=O)Oc2ccc(-c3ccc(C#N)cc3)cc2)oc2c1C(=NNC(=O)c1ccccc1)CCC2 1772744938 OOEFBRSKWRJPSA-UHFFFAOYSA-N 489.531 5.816 50 10 JKGE Cc1c(C(=O)N(C)c2ccccc2)oc2c1C(=NNC(=O)c1ccc(-c3ccccc3)cc1)CCC2 1772747993 UJIDSKIUVFPWJV-UHFFFAOYSA-N 477.564 6.002 50 10 JKGE N#CC1=C(N)Oc2c(c(-c3ccccc3)nn2Cc2cccc(F)c2)[C@@H]1c1ccc(Cl)cc1Cl 1865686620 XVMZRJQXYUVXOK-JOCHJYFZSA-N 491.353 6.262 50 10 JKGE C=CCOc1ccccc1[C@@H]1C(C#N)=C(N)Oc2c1c(-c1ccc(OC)cc1)nn2-c1ccccc1 1865691314 PHKMZIXKMQJDSF-RUZDIDTESA-N 476.536 5.331 50 10 JKGE CCCCCOc1ccc([C@H]2C(C#N)=C(N)Oc3c2c(C(F)(F)F)nn3CC(C)C)cc1OCC 1865691630 XABIKLIQKWUBFY-FQEVSTJZSA-N 492.542 5.744 50 10 JKGE C=CCOc1ccccc1[C@H]1C(C#N)=C(N)Oc2c1c(C(F)(F)F)nn2-c1ccc(Cl)cc1 1865691723 ZMICQBCMPQDTJJ-SFHVURJKSA-N 472.854 5.327 50 10 JKGE CCCOc1ccc([C@H]2C(C#N)=C(N)Oc3c2c(CCC)nn3Cc2cc(C)ccc2C)cc1 1865694555 XAPVKMXEVMMHKM-VWLOTQADSA-N 456.590 5.508 50 10 JKGE CCCCOc1ccc([C@@H]2C(C#N)=C(N)Oc3c2c(-c2ccccc2)nn3-c2ccccc2)cc1OC 1865697404 RMROAHWMHIDUHD-AREMUKBSSA-N 492.579 5.945 50 10 JKGE CCN(CC)c1ccc([C@H]2C(C#N)=C(N)Oc3c2c(C)nn3Cc2ccc(Cl)c(Cl)c2)cc1 1865702081 MHJDKBZJTOAIOP-QHCPKHFHSA-N 482.415 5.611 50 10 JKGE CCCOc1ccccc1[C@H]1C(C#N)=C(N)Oc2c1c(CC)nn2-c1ccc(Cl)c(Cl)c1 1865702738 CZVXQTHUVHDSGN-NRFANRHFSA-N 469.372 5.748 50 10 JKGE COc1ccc(-c2nn(Cc3ccccc3)c3c2[C@H](c2ccccc2OC(C)C)C(C#N)=C(N)O3)cc1 1865705116 MSCNWCBKLDKZPA-AREMUKBSSA-N 492.579 5.612 50 10 JKGE Cc1ccc(Cn2nc(-c3ccccc3)c3c2OC(N)=C(C#N)[C@@H]3c2ccc(C(F)(F)F)cc2)cc1 1865711429 YFTMOSZFZPHOQM-QHCPKHFHSA-N 486.497 6.144 50 10 JKGE Cc1ccc(/C(=C/C(=O)N[C@@H](C(=O)Nc2ccc(SC#N)cc2)c2ccccc2)C2CC2)cc1C 1866690823 BVZRUGOKRKYANR-XQNWCSQWSA-N 481.621 6.166 50 10 JKGE CC[C@@](C)(NC(=O)C[C@@H](c1ccccc1)c1ccc(F)c(F)c1)C(=O)Nc1ccc(SC#N)cc1 1867131193 CHFGDSCBGCXXIS-WXVAWEFUSA-N 493.579 5.984 50 10 JKGE CCc1ccc([C@@H]2CN(c3cc(Nc4ccc(SC#N)cc4)nc(-c4ccccc4)n3)CCO2)cc1 1868364891 GZOLCZAFXFFBHV-SANMLTNESA-N 493.636 6.601 50 10 JKGE CC(C)(C)CN1CCN(c2cc(Nc3ccc(SC#N)cc3)nc(-c3ccc(Cl)cc3)n2)CC1 1868433140 FWOZJHXVSPWUBY-UHFFFAOYSA-N 493.080 6.282 50 10 JKGE COc1cccc(/C=C(\C#N)c2cc3c(cc2[N+](=O)[O-])OCCO3)c1OCc1cccc(Cl)c1 1872728843 XIOMPTJKUXIRPO-WOJGMQOQSA-N 478.888 5.671 50 10 JKGE C[C@H](Oc1ccc(Cl)cc1Cl)/C(O)=C(\C#N)c1nc(-c2cccc(Br)c2)cs1 1872747301 WOHJEMGWEJYPMB-HSHIVQNRSA-N 496.213 7.140 50 10 JKGE COc1ccc(-c2csc(/C(C#N)=C(\O)[C@@H]3CC(=O)N(c4cc(Cl)ccc4OC)C3)n2)cc1F 1872752397 AGWDIDAUQWPEAX-QCLUAIMQSA-N 499.951 5.466 50 10 JKGE CCCOc1ccc(C/C(O)=C(\C#N)c2nc(-c3cc(Cl)cc(C)c3OC)cs2)cc1 1872757179 TZGFHRDXVLIYMK-XDOYNYLZSA-N 454.979 6.605 50 10 JKGE CCCOc1ccc(-c2csc(/C(C#N)=C(\O)Cc3ccccc3Cl)n2)cc1OCCC 1872818233 SUYJAOSIVCOUPH-QOCHGBHMSA-N 469.006 7.076 50 10 JKGE CCOc1cc(/C=N/NC(=O)[C@H](CC(C)C)NC(=O)OC(C)(C)C)ccc1OCc1ccc(C)cc1 1873793587 RFDCJVCDWFRPCW-WWUWQWKFSA-N 497.636 5.362 50 10 JKGE CC(C)(C)OC(=O)N1CCC[C@H]1C(=O)N/N=C/c1c(OCc2ccc(F)cc2)ccc2ccccc12 1873794984 MACDYANUILHDFG-ICSRMJQJSA-N 491.563 5.408 50 10 JKGE FC(F)(F)[C@H]1OC2([C@@H](Br)c3sc(Br)cc3Br)CC1C2 1878414384 DKQOHONHYVRQQH-WRQNXOQJSA-N 484.957 5.819 50 10 JKGE CCCN[C@H](c1cc(Br)c(C)cc1Br)[C@H]1C[C@H](Br)C1 1887751960 MRMRGBQGBBKZCS-PGUXBMHVSA-N 454.044 5.734 50 10 JKGE FC(F)C(F)(F)[C@H](Br)c1cc(Br)ccc1OCc1ccccc1 1899858778 XBZRPDXQDGESLB-CQSZACIVSA-N 456.071 6.365 50 10 JKGE C[C@@H](CCBr)CCOc1cc(Br)cc(I)c1 1900984521 AOBRIFZCXPCZTE-VIFPVBQESA-N 461.963 5.244 50 10 JKGE CC[C@@H]1C[C@@H]1C[C@@H](Br)c1c(Br)sc(Br)c1Br 1902829946 XPKXOSUXRXFOFQ-FSDSQADBSA-N 495.900 6.908 50 10 JKGE CC(C)(CBr)N(Cc1ccccc1)S(=O)(=O)c1cccc(C(F)(F)F)c1 1915772343 ZPZJTGYGOVXKIJ-UHFFFAOYSA-N 450.320 5.070 50 10 JKGE COc1ccc(C)cc1[C@@H](Br)c1sc(Br)c(C)c1Br 1922900513 JBOKVVNJNCKMIT-GFCCVEGCSA-N 469.036 6.383 50 10 JKGE Brc1cc(Br)c([C@@H](Br)c2sccc2Br)s1 1922922018 XIJCPPMCPSWAED-ZETCQYMHSA-N 495.881 6.581 50 10 JKGE C[C@H](c1ccncc1Br)[C@H](Br)c1ccc(F)cc1Br 1924041637 WEGMJLXZBFIAFG-CLAHSXSESA-N 451.959 5.985 50 10 JKGE CCc1cc(Br)c([C@@H](Cl)c2csc(Br)c2Br)s1 1945189105 JDYAFRZDTAZUTL-VIFPVBQESA-N 479.484 6.988 50 10 JKGE C[C@@H]1CN(c2cc(Br)ccc2CBr)[C@H](C)CN1Cc1ccccc1 1946784378 ZSXFDZHESMIRDX-HZPDHXFCSA-N 452.234 5.443 50 10 JKGE FC(F)(F)C1CC([C@H](Br)c2cc(Br)sc2Br)C1 1948915141 UZWGBNSSUFCZRC-YXFGPURMSA-N 456.947 6.298 50 10 JKGE Cc1c(Br)sc([C@H](Br)c2cc(Cl)c(Cl)s2)c1Br 1950177753 MXIJNWCZSTWVHZ-SSDOTTSWSA-N 499.902 7.434 50 10 JKGE Cc1c(Br)ccc([C@H](Cl)c2csnc2Br)c1Br 2024290602 SXVSLDZEUXXBLE-JTQLQIEISA-N 460.416 6.067 50 10 JKGE Brc1scc([C@H](Br)c2ncn3ccsc23)c1Br 2024754435 UMVOLVZCBYVCLV-LURJTMIESA-N 457.010 5.467 50 10 JKGE COc1sc([C@H](Br)c2cc(C)cc(Br)c2)cc1Br 2034627938 AQJJWNQJVVXUDY-GFCCVEGCSA-N 455.009 6.074 50 10 JKGE Cc1ccc(C(=O)Nc2cccc(C=C(C#N)S(=O)(=O)c3ccc(Br)cc3)c2)cc1 2040837687 ICWROCBWLPNZNM-UHFFFAOYSA-N 481.371 5.348 50 10 JKGE Cc1c(Br)sc([C@@H](Br)C23CCOC(C)(C2)C3)c1Br 2046402361 AMHSIUWFQLJNIV-QFWMXSHPSA-N 459.041 5.977 50 10 JKGE Cc1c(Br)sc([C@H](Br)[C@@H]2CCCOC2(C)C)c1Br 2066882978 HJBFANLFCVUQOB-WCBMZHEXSA-N 461.057 6.223 50 10 JKGE Cl[C@H](c1c(Br)sc(Br)c1Br)[C@@H]1C[C@@]12CCCOC2 2077422117 FOSZDAGWZSFKOE-ZKQGETEISA-N 479.459 6.132 50 10 JKGE COc1ccc(CC(CBr)(CBr)C2CCC2)cc1Br 2089704407 CYLFXKIQDLPPOX-UHFFFAOYSA-N 455.028 5.577 50 10 JKGE BrCc1cc(Br)c(OCC2CC3(CCC3)C2)c(Br)c1 2099408238 WKDXPPJANJPGPL-UHFFFAOYSA-N 453.012 6.066 50 10 JKGE Cc1c(Br)sc([C@H](Br)C[C@@H](C(F)F)C(C)(C)C)c1Br 2111372824 BRZYZNQNCBRYJU-JGVFFNPUSA-N 483.054 7.335 50 10 JKGE ClCc1nc2cc(Cl)c(Br)cc2n1[C@@]12C[C@@H]1CN(Cc1ccccc1)C2 2112702011 QZGLTEZSTBJLEB-JLTOFOAXSA-N 451.195 5.422 50 10 JKGE C[C@H](c1ccncc1Br)[C@@H](Br)c1cc(I)ccc1F 2113349775 XHNUCDYXZOBREU-XLKFXECMSA-N 498.959 5.828 50 10 JKGE Cc1cc(Cl)c([C@@H](Br)c2ccc(I)c(Cl)c2)cc1Cl 2136691849 JKYYDLYLQTYJPP-AWEZNQCLSA-N 490.393 7.044 50 10 JKGE COCc1csc([C@@H](Br)c2ccc(Br)c(C)c2Br)c1 2138866307 OUHREYLGMUGMJE-AWEZNQCLSA-N 469.036 6.212 50 10 JKGE C[C@@H](Cl)c1nc2cc(Cl)c(Br)cc2n1Cc1cnn(Cc2ccccc2)c1 2169011546 PUGLXPCCVSWEGR-CYBMUJFWSA-N 464.194 6.045 50 10 JKGE Clc1ccc(I)c(CN2C[C@@H](Br)C3(CCCCC3)C2)c1 2174365195 RPSMUZFSPICASD-OAHLLOKOSA-N 468.604 5.474 50 10 JKGE O=C(c1cc(Br)sc1Br)N1C[C@]2(F)CCC[C@]2(CBr)C1 2176631470 ZMLUHMWWUZLSQL-QWHCGFSZSA-N 490.030 5.002 50 10 JKGE BrCc1cc(Br)c(OC[C@@H]2C[C@@H]3CCC[C@@H]3C2)c(Br)c1 2183360179 UIGBHXVLYSQTJM-CLLJXQQHSA-N 467.039 6.312 50 10 JKGE Fc1cc(Br)c(Br)cc1[C@H](Cl)c1sncc1Br 2213488932 IRMQLHLDKVQWSH-VIFPVBQESA-N 464.379 5.898 50 10 JKGE Cc1ccc(I)c(C(=O)N(Cc2ccccc2)C2(CCl)CCC2)c1 2217395110 LOYUVRMDGOFWQZ-UHFFFAOYSA-N 453.751 5.404 50 10 JKGE FC(F)(F)[C@@H]1CC[C@H]1[C@H](Br)c1cc(Br)ccc1Br 2217670288 XDKNWGSFSQXOFX-ZOFUNIGCSA-N 450.918 6.236 50 10 JKGE Cc1sc(Br)c(C)c1[C@@H](Br)c1cc(F)cc(Br)c1 2218801135 RATCLGDGZPVIIH-LBPRGKRZSA-N 457.000 6.513 50 10 JKGE CC1(C)CCC[C@@H]([C@H](Br)c2c(Br)sc(Br)c2Cl)O1 2219698195 CNFQWPQEXMRFJB-XPUUQOCRSA-N 481.475 6.710 50 10 JKGE Fc1cc(Br)c2nc(CCl)n(C[C@@H]3CC3(Br)Br)c2c1 2224799897 BOXOEGKBEWCLBJ-LURJTMIESA-N 475.381 5.183 50 10 JKGE ClCCc1nc2cccc(Br)c2n1C[C@H]1CC1(Br)Br 2224799931 BVRQTRHLYFIPPG-MRVPVSSYSA-N 471.418 5.086 50 10 JKGE Cc1cc([C@@H](Br)c2cc(Br)c(Br)cc2F)ccc1F 2225618501 ZMOFNBBUSCHNGH-CQSZACIVSA-N 454.934 6.283 50 10 JKGE COC[C@]1([C@@H](Br)c2c(Br)cc(Cl)c(Cl)c2Cl)CCCO1 2232529578 MGVQYXJQYZMJMX-STQMWFEESA-N 467.412 6.041 50 10 JKGE Cc1cc(Br)c(C)c([C@H](Br)[C@H]2CC[C@H]2C(F)(F)F)c1Br 2232581513 OMQIROZUJGKRMH-IGJMFERPSA-N 478.972 6.853 50 10 JKGE Cc1sc(Br)c([C@@H](Br)c2scc(Br)c2Cl)c1C 2246466268 GWFFFXSXGFUKAV-MRVPVSSYSA-N 479.484 7.089 50 10 JKGE COc1ccc([C@H](Cl)c2ccccc2OCc2ccccc2)c(Br)c1Cl 2268258262 CYCPLBNDGJIBRX-HXUWFJFHSA-N 452.175 7.018 50 10 JKGE Cn1ncc(Br)c1[C@H](Cl)c1c(F)cc(Br)c(F)c1Br 2272737518 DLOHKIDTAWOTIG-SECBINFHSA-N 479.344 5.314 50 10 JKGE Cc1cc(F)cc([C@@H](Br)Cc2cc(Br)cc(Br)c2)c1 2277960715 KVGPLOUIWYOYEI-HNNXBMFYSA-N 450.971 6.338 50 10 JKGE COc1cc(Cl)c(Cl)cc1[C@@H](Cl)c1c(Br)cccc1Br 2279058784 AFAHKAKZLQVLLB-CQSZACIVSA-N 459.392 6.855 50 10 JKGE Cc1cc(OCc2cccc(Br)c2Br)cc(C)c1CBr 2282936459 QSNKLEGNXKHQNT-UHFFFAOYSA-N 463.007 6.302 50 10 JKGE Cc1cc2sc([C@H](Br)Cc3cc(Br)cc(Br)c3)cc2s1 2295345277 KEXPVZWSXZJRBU-GFCCVEGCSA-N 495.099 7.475 50 10 JKGE Cc1cc(F)c(Br)cc1[C@H](Br)c1cc2sc(Br)cc2s1 2295411642 NXBPNEQPJMCKGT-AWEZNQCLSA-N 499.062 7.420 50 10 JKGE COc1cc(OC)c([C@@H](Br)c2cccc(Br)c2)cc1Br 2295437435 NEHYGKMLBTWJET-HNNXBMFYSA-N 464.979 5.713 50 10 JKGE COc1cc(C=C(C#N)c2ccc(Cl)cc2)cc(Br)c1OCc1ccccc1C#N 2297368556 OBSMRHQBRYRPQK-UHFFFAOYSA-N 479.761 6.626 50 10 JKGE FC1(F)CC[C@@H]1C[C@H](Br)c1ccc(OCc2ccccc2)cc1Br 2299492611 DBXUWYXICFJGGT-PBHICJAKSA-N 460.156 6.900 50 10 JKGE Fc1c(Br)cc(Cl)c([C@H](Br)CC(F)(F)F)c1Br 2300172588 SWKDEHIMIQDDGX-SCSAIBSYSA-N 463.288 6.393 50 10 JKGE N#CCOc1c(Cl)cc(C=C(C#N)C(=O)Nc2cccc(Cl)c2Cl)cc1Br 2313570884 ILXVPMGTOZEMAX-UHFFFAOYSA-N 485.552 5.857 50 10 JKGE N#CC(=Cc1ccc(OCc2ccc(Cl)cc2)cc1)C(=O)Nc1cc([N+](=O)[O-])ccc1Cl 2313670625 LLNROYAJVLAHHW-UHFFFAOYSA-N 468.296 6.026 50 10 JKGE CC(=NNC(=O)c1ccc(-c2ccc(Cl)c(Cl)c2)nc1C)c1ccc(-c2ccccc2)cc1 2321281107 GXSBRACCSQFFCP-UHFFFAOYSA-N 474.391 7.185 50 10 JKGE N#CC(=CN1CCN(C(c2ccccc2)c2ccccc2)CC1)C(=O)Nc1ccccc1Cl 2324349403 PQEIBXKMOSMBAR-UHFFFAOYSA-N 456.977 5.093 50 10 JKGE CCOc1cc(C=C(C#N)c2ncccc2[N+](=O)[O-])ccc1OCc1ccc(Cl)cc1Cl 2331059520 LKLLIVDKYPVFIR-UHFFFAOYSA-N 470.312 6.338 50 10 JKGE Cc1ccccc1OCCCC(O)=C(C#N)c1nc(-c2ccc(-c3ccccc3)cc2)cs1 2331232102 SSSPJRDMNYPXNI-UHFFFAOYSA-N 452.579 7.437 50 10 JKGE COc1ccc(C)cc1-c1csc(C(C#N)=C(O)CNC(=O)c2ccc(Cl)cc2Cl)n1 2331323005 SIUNWFMAPRVYBN-UHFFFAOYSA-N 474.369 5.657 50 10 JKGE N#CC(=C(O)c1ccc(N2CCCC2)c([N+](=O)[O-])c1)c1nc(-c2c[nH]c3ccccc23)cs1 2331348952 FCDHOAIKLUPBFA-UHFFFAOYSA-N 457.515 5.750 50 10 JKGE COc1ccc(C(C)(C)C)cc1-c1csc(C(C#N)=C(O)CCCOc2ccc(C)cc2)n1 2331350795 UCDMCEZOEYAVGB-UHFFFAOYSA-N 462.615 7.077 50 10 JKGE Cc1ccc(-c2csc(C(C#N)=C(O)CNC(=O)c3ccc(Cl)cc3Cl)n2)cc1C 2331382195 JHUTXQGVOPBRJM-UHFFFAOYSA-N 458.370 5.956 50 10 JKGE CCOc1cc(C=C(C#N)c2nc(-c3ccc(OC)c(OC)c3)cs2)ccc1OCc1ccccc1 2331417469 SDOIJMBXFAZLNV-UHFFFAOYSA-N 498.604 6.869 50 10 JKGE CCCOc1ccc(-c2csc(C(C#N)=Cc3c(Cl)cccc3Cl)n2)cc1OCCC 2331437705 DXQWFJTYXJQDAD-UHFFFAOYSA-N 473.425 7.759 50 10 JKGE Cc1cc(C)c(C)c(-c2csc(C(C#N)=Cc3ccc(OCc4ccccc4)cc3)n2)c1C 2331468449 MOTSTOQTGCTPFO-UHFFFAOYSA-N 450.607 7.687 50 10 JKGE CN(c1cc(Br)ccc1CBr)[C@H]1C[C@@H]2C[C@H](OCc3ccccc3)C[C@H]12 2332002049 DJZBSMUDPRPPKY-UTYWTXRGSA-N 479.256 6.164 50 10 JKGE Cc1cc([C@H](Cl)c2c(F)cc(Cl)c(Br)c2Cl)oc1Br 2335374719 UOMGOZICWWEHNZ-JTQLQIEISA-N 451.344 6.887 50 10 JKGE CN(Cc1ccc(Cl)cc1I)C[C@@H](Br)C1CCCC1 2341044213 RSSQHHNLFLLCKY-CQSZACIVSA-N 456.593 5.330 50 10 JKGE FC1(F)CCC2(CC1)C[C@@H]2[C@@H](Cl)c1cc(Br)ccc1OCc1ccccc1 2361202395 ATYPLEPGZRJDSS-QUCCMNQESA-N 455.770 7.524 50 10 JKGE Cc1nn(C)c([C@@H](Cl)c2c(Cl)cc(Br)c(F)c2Br)c1Cl 2362226594 YQVGBEYJIQITJU-JTQLQIEISA-N 465.375 6.028 50 10 JKGE COc1c(Br)cc(C)c([C@H](Br)[C@@H]2C[C@H]3CC[C@H]2O3)c1Br 2365234766 KAFFEEHEYFWBFK-RUSTZOOPSA-N 469.011 5.532 50 10 JKGE Fc1cc([C@@H](Br)c2cc(C3CC3)c(Br)s2)c(Cl)cc1Cl 2379733197 CLVMJKOZEVOCMG-CYBMUJFWSA-N 459.005 7.318 50 10 JKGE N#CC(=C/c1c[nH]c2ccccc12)/C(O)=N/c1ncc(Cc2ccc(Cl)cc2Cl)s1 1246268 GXPGVSDXXPCWTQ-AUWJEWJLSA-N 453.354 6.717 50 10 JKGE Cc1ccc(N/C(SCC(=O)N(C)C2CCCCC2)=C(\C#N)c2nc3ccccc3s2)c(C)c1 3298111 PNMQYCPQNXQNLZ-QLYXXIJNSA-N 490.698 6.742 50 10 JKGE O=C(N/N=C/c1ccc(OCc2ccc(Br)cc2)cc1)c1ccc([N+](=O)[O-])cc1Cl 20457921 ONUARRFPCDCPAO-WYMPLXKRSA-N 488.725 5.354 50 10 JKGE CCOc1ccc2ccccc2c1/C=C(/C#N)C(=O)c1c(-c2ccccc2)n(CC)c2ccccc12 33499041 CTLKFTDPWHZQEY-GFMRDNFCSA-N 470.572 7.670 50 10 JKGE N#Cc1ccccc1COc1ccc(/C=N/NC(=O)c2cc3ccccc3o2)cc1Br 33541443 RIOSJCZBQUBJHU-MZJWZYIUSA-N 474.314 5.410 50 10 JKGE Cc1cc(C(=O)[C@H](C)Cl)c(C)n1-c1c(Br)cc(Br)cc1Br 37327059 PIRPEKDUBDCZQH-QMMMGPOBSA-N 498.440 6.192 50 10 JKGE CCCCCOc1ccc(C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@@H]3c2ccccc2OCC)cc1 38650507 ABGNLBSUXPAVSY-MUUNZHRXSA-N 498.579 6.092 50 10 JKGE Cc1cc(C)cc(OCC(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@@H]3c2ccc(Cl)c(Cl)c2)c1 38655964 LVGDVLZGFIXLIA-RUZDIDTESA-N 495.362 5.813 50 10 JKGE COc1cc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4cccc(C)c4)ccc32)ccc1OCCC(C)C 38660324 FGDDTGNGXPPZMX-NDEPHWFRSA-N 498.579 5.866 50 10 JKGE CCc1ccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4oc5cc(C)c(Cl)cc5c4C)ccc32)cc1 38700453 SAPRJBWWXMJIGW-AREMUKBSSA-N 498.966 6.703 50 10 JKGE N#C/C(=C\c1cn(-c2ccccc2)nc1-c1ccc(Cl)cc1)c1nc(-c2cccs2)cs1 39842880 IAKYCJLELFUSTC-QGOAFFKASA-N 471.010 7.442 50 10 JKGE Cc1ccc2[nH]c(-c3ccccn3)c(CCCC(=O)NNC(=O)c3ccc(Cl)cc3Cl)c2c1 39852562 CEDJDMRVHFDLNW-UHFFFAOYSA-N 481.383 5.629 50 10 JKGE Cc1c(C(=O)Nc2cccc3ccccc23)oc2c1/C(=N/NC(=O)c1ccccc1F)CCC2 40812416 VUGLBYZOZXLUAC-JBASAIQMSA-N 455.489 5.603 50 10 JKGE Cc1c(C(=O)Nc2cccc(C(F)(F)F)c2)oc2c1/C(=N/NC(=O)c1cccc(Cl)c1)CCC2 40813350 KGCIPMPXUZPFCE-UXHLAJHPSA-N 489.881 5.983 50 10 JKGE CCOc1ccc(/C=N/NC(=O)COc2ccc(Br)cc2C(C)(C)C)cc1OCC 40911399 RHQJHQHNKKXXQL-AFUMVMLFSA-N 477.399 5.073 50 10 JKGE CCCOc1ccccc1/C=C(\C#N)C(=O)Nc1scc(-c2ccc(C)c(C)c2)c1C(=O)OCC 40949000 JKIPGBXCHVRSSL-PXLXIMEGSA-N 488.609 6.543 50 10 JKGE O=C(N/N=C/c1ccc(Br)s1)c1[nH]c(-c2ccccc2)cc1-c1ccccc1 59449438 RCXKJFFOJJDUMO-ZVHZXABRSA-N 450.361 5.937 50 10 JKGE COc1cc(/C=N/NC(=O)c2ccc(-n3c(C)ccc3-c3ccccc3)cc2)cc(Cl)c1OC 59680139 QUZJYMIWJKSKFQ-STBIYBPSSA-N 473.960 5.887 50 10 JKGE Fc1ccc(Br)c([C@H](Br)c2cc(Cl)c(Br)cc2F)c1 97895893 FAIIWZQHBDFNPD-ZDUSSCGKSA-N 475.352 6.628 50 10 JKGE O=C(Nc1ccccc1C(F)(F)F)[C@H](Br)[C@H](Br)c1ccccc1 101051537 CWSZAVXYIDJSQR-ZIAGYGMSSA-N 451.080 5.544 50 10 JKGE CNC(=O)/C(C#N)=C1\S[C@@H](Cc2cccc(Cl)c2Cl)C(=O)N1c1ccc(C(C)C)cc1 101240547 GMFULBFTUGUREW-IBZADVPGSA-N 474.413 5.289 50 10 JKGE CCOC(=O)c1sc(N/C=C(\C#N)c2nc(-c3cccc(OC)c3)cs2)c(C(=O)OCC)c1C 101361654 WJKCYSRXOCWHLQ-FOWTUZBSSA-N 497.598 5.519 50 10 JKGE Clc1cccc(Cl)c1[C@H](Br)c1cc(Br)sc1Br 109870007 VHIDEMDNKKWACQ-SNVBAGLBSA-N 479.846 7.064 50 10 JKGE Fc1cccc(C[C@H](Br)c2cc(Br)c(Br)s2)c1F 128218675 BEFLJCKPZKUOTJ-ZETCQYMHSA-N 460.963 6.230 50 10 JKGE COc1cc([C@H](Br)c2c(F)cccc2Br)c(OC)cc1Br 134300480 ZGHAIZPXBODGMV-HNNXBMFYSA-N 482.969 5.852 50 10 JKGE CC(C)CCC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC[C@H]4C[C@H](O[Si](C)(C)C)CC[C@]4(C)[C@H]3CC[C@@]21C 196698932 HRLPEXVPNOBUDF-XEUPFQEJSA-N 460.863 9.328 50 10 JKGE COc1cc(/C=C2\C(=O)N(Cc3ccc(C)cc3)C(=O)C(C#N)=C2C)ccc1OCCC(C)C 214381201 DEHMTHZOEQZUPI-UCQKPKSFSA-N 458.558 5.221 50 10 JKGE N#C/C(=C/Nc1ccc(I)cc1)C(=O)NC(c1ccccc1)c1ccccc1 216978903 OWZOJKHCDIFENP-MNDPQUGUSA-N 479.321 5.016 50 10 JKGE FC(F)(F)COCC[C@H](Br)c1cc(Br)ccc1Br 232342749 QKASUZNTTCLQJH-JTQLQIEISA-N 454.906 5.617 50 10 JKGE O=[N+]([O-])c1ccc(C[C@@H](Br)c2ccc(I)c(Cl)c2)cc1 232386339 WEGIHIJNRLBFMC-GFCCVEGCSA-N 466.500 5.532 50 10 JKGE C[C@H](c1ccccn1)[C@H](Br)c1cc(Br)ccc1I 235285236 WDVPUCLMBMMLOR-OTYXRUKQSA-N 480.969 5.688 50 10 JKGE Cc1cc([C@H](Br)c2cc(Br)cc(Br)c2)c(Cl)cc1F 235856849 AVDOSPWTFUAWQQ-CQSZACIVSA-N 471.389 6.797 50 10 JKGE O=[N+]([O-])c1ccccc1C[C@@H](Cl)c1cc(Br)ccc1I 236031341 ACUNVLOJUPURIW-GFCCVEGCSA-N 466.500 5.485 50 10 JKGE Clc1cnccc1C[C@@H](Cl)c1cc(Br)ccc1I 236032762 JEAYFCDKHWVAGP-LLVKDONJSA-N 456.936 5.625 50 10 JKGE Cc1onc(-c2c(Cl)cccc2Cl)c1NC(=O)NN=Cc1c(Cl)cccc1Cl 254380078 GQHHNQKFVNGVOW-UHFFFAOYSA-N 458.132 6.419 50 10 JKGE O=C(COc1ccc(-c2ccccc2)cc1)NN=Cc1ccc(OC(=O)/C=C\c2ccccc2)cc1 254409338 PJCQROVUNVBOGA-MSYDXSFKSA-N 476.532 5.502 50 10 JKGE Cc1cc(C=NNC(=O)c2ccc(C#N)cc2F)c(C)n1-c1ccc(OCc2ccccc2)cc1 254766323 YHMDHPKGIJGVKM-UHFFFAOYSA-N 466.516 5.448 50 10 JKGE Cl[C@@H](c1cccc(OCc2ccccc2)c1)c1cc(Br)c(Br)s1 309965813 KXBBUVLXHLWUCG-KRWDZBQOSA-N 472.629 7.180 50 10 JKGE Cc1ccc2nc(CCl)n(-c3cc(Br)ccc3I)c2c1 312349068 FFCOEFIBGVFASF-UHFFFAOYSA-N 461.528 5.440 50 10 JKGE Cc1c(Cl)cccc1[C@H](Br)c1cc(I)cc2c1OCC2 312372892 PZVFHIZPKKHGDY-HNNXBMFYSA-N 463.540 5.672 50 10 JKGE C[C@H](Cl)c1nc2cc(I)ccc2n1-c1ccccc1OCc1ccccc1 381160728 MWJPMMVVVPNPQV-HNNXBMFYSA-N 488.756 6.509 50 10 JKGE ClCc1cc(Oc2ccc(Br)cc2Br)ncc1Br 381612817 VLCINGYAGPRKOV-UHFFFAOYSA-N 456.359 5.900 50 10 JKGE CCOc1ccc([C@H](Br)c2ccccc2OCc2ccccc2)cc1Br 388413678 JXGXXSIMINPOOV-QFIPXVFZSA-N 476.208 6.911 50 10 JKGE Cc1cc([C@@H](Br)c2c(Br)cc(F)c(F)c2F)sc1Br 398811260 YCDWGLWSWGRCKA-SECBINFHSA-N 478.953 6.483 50 10 JKGE FC(F)(Cl)CCC(CBr)(CBr)c1ccccc1Br 402995837 MXZFDMQPSIFGPG-UHFFFAOYSA-N 469.389 6.089 50 10 JKGE Clc1ccc(I)c(C[C@@]2(CBr)CCO[C@H]2C2CC2)c1 405539381 QUTXWDILCKSGEH-LSDHHAIUSA-N 455.561 5.067 50 10 JKGE CC(C)(C)[Si](C)(C)OCc1cccc([C@H]2CCOCCN2S(=O)(=O)c2ccccc2)c1 616599809 XCXFXDNNGMPXOA-HSZRJFAPSA-N 461.700 5.361 50 10 JKGE Brc1cc2c(c([C@H](Br)c3occc3Br)c1)OCCC2 688383492 WTZWNDDFRSOCLV-LBPRGKRZSA-N 450.952 5.614 50 10 JKGE CCC(F)(F)C(C)(C)COc1c(Br)cc(Br)cc1CBr 691066856 AEOAFFQNYYCOEP-UHFFFAOYSA-N 478.997 6.557 50 10 JKGE Fc1ccc([C@@H](Cl)c2cc(Br)c(Br)s2)c(F)c1Br 701052280 RVAURYRLFKXVQQ-SECBINFHSA-N 481.381 6.642 50 10 JKGE BrCc1cc(Br)c(OCCOC2CCCCC2)c(Br)c1 701316283 CQQQMSLJQKQAHC-UHFFFAOYSA-N 471.027 5.835 50 10 JKGE CC1(C)[C@@H](n2c(CCl)nc3cc(F)c(Br)cc32)C[C@H]1OCc1ccccc1 718081774 VBFBTQHWZXPHPF-RBUKOAKNSA-N 451.767 6.233 50 10 JKGE COc1cc(Br)ccc1[C@H](Br)c1ccc(C)c(Br)c1C 719544716 JNOBBEMWEPJPFE-MRXNPFEDSA-N 463.007 6.321 50 10 JKGE CCOc1cc(C=NNC(=O)c2cccc(C(F)(F)F)c2)ccc1OCc1ccccc1Cl 1083906232 IIQYPQZGOUKOOR-UHFFFAOYSA-N 476.882 6.100 50 10 JKGE C=CCOc1ccc(Br)cc1C=NNC(=O)[C@H](C)Oc1ccc2ccccc2c1 1083973927 OTDJAOQLPPFTRH-INIZCTEOSA-N 453.336 5.085 50 10 JKGE Cc1cc(C=NNC(=O)c2ccccc2Br)c(C)n1-c1ccc(Cl)cc1Cl 1083994703 KGZYTGVUVYQWOZ-UHFFFAOYSA-N 465.178 5.927 50 10 JKGE O=C(Cn1cc(C=NNC(=O)c2cc3ccccc3o2)c2ccccc21)Nc1ccc(Cl)cc1 1084022990 OWMINONAMIBCJK-UHFFFAOYSA-N 470.916 5.444 50 10 JKGE Cc1ccc(NC(=O)/C(C#N)=C\c2ccc(OCc3ccc(Cl)cc3Cl)cc2)c(C)c1 1084423185 YYUBIEYKIQWUAN-NDENLUEZSA-N 451.353 6.735 50 10 JKGE O=C(CC[C@H](O)c1ccccc1)NN=Cc1ccc(-c2ccc(Br)c(Cl)c2)o1 1084568914 HMRJQQPSULNDQL-IBGZPJMESA-N 461.743 5.326 50 10 JKGE O=C(COc1ccc(Br)cc1Cl)NN=Cc1ccc(OCc2ccccc2)cc1 1084601255 ALQFDJZWAWCCMV-UHFFFAOYSA-N 473.754 5.211 50 10 JKGE CCCCc1ccc(NC(=O)c2oc3c(c2C)C(=NNC(=O)c2ccc(C)cc2)CCC3)cc1 1772745212 VIFPLAJHKNZQSW-UHFFFAOYSA-N 457.574 5.962 50 10 JKGE Cc1c(C(=O)Oc2ccccc2)oc2c1C(=NNC(=O)c1ccc(-c3ccccc3)cc1)CCC2 1772746768 GQJPINBWCFAJDJ-UHFFFAOYSA-N 464.521 5.945 50 10 JKGE Cc1cc(OC(=O)c2oc3c(c2C)C(=NNC(=O)c2cccc(Cl)c2)CCC3)cc(C)c1Cl 1772747072 CRZSFWPWIGQTFF-UHFFFAOYSA-N 485.367 6.201 50 10 JKGE CCc1cccc(C)c1NC(=O)[C@@H](C)Oc1cccnc1NC(=O)Oc1ccc([N+](=O)[O-])cc1F 1858684931 USUPZNJISUXWGO-OAHLLOKOSA-N 482.468 5.017 50 10 JKGE N#CSc1ccc(NC(=O)Oc2cccc3c(NC(=O)c4ccc(F)cc4)cccc23)cc1 1858770036 WDIMISYKMJBACL-UHFFFAOYSA-N 457.486 6.415 50 10 JKGE CCOc1cccc([C@H]2C(C#N)=C(N)Oc3c2c(-c2ccccc2)nn3Cc2ccc(C)cc2)c1 1865690277 NGSTXZAFGGHLAO-VWLOTQADSA-N 462.553 5.524 50 10 JKGE COc1ccc(-c2nn(Cc3ccccc3F)c3c2[C@H](c2cccs2)C(C#N)=C(N)O3)cc1 1865698508 VUNABMXWQCTVFZ-NRFANRHFSA-N 458.518 5.026 50 10 JKGE N#CC1=C(N)Oc2c(c(-c3ccccc3)nn2-c2ccc(Cl)c(Cl)c2)[C@@H]1c1ccccn1 1865700138 LRSRRLCMOQKEBM-FQEVSTJZSA-N 460.324 5.459 50 10 JKGE CCc1nn(-c2cccc3ccccc23)c2c1[C@H](c1ccccc1OC(C)C)C(C#N)=C(N)O2 1865704820 FMHMMBXPLGDTDH-RUZDIDTESA-N 450.542 5.593 50 10 JKGE Cc1ccc2cc3c(nc2c1)N(c1cc(Nc2ccc(SC#N)cc2)nc(-c2ccccc2)n1)CC3 1868365332 OMMXVYCCZKYTJU-UHFFFAOYSA-N 486.604 7.011 50 10 JKGE COc1cc2nc(/C(C#N)=C/c3ccc(OCc4ccc(C)cc4)c(OC)c3)nc(O)c2cc1OC 1872727451 BOYGISRBOJWMCX-RGVLZGJSSA-N 483.524 5.313 50 10 JKGE CCCOc1ccc(-c2csc(/C(C#N)=C(\O)Cc3ccc(OCc4ccccc4)cc3)n2)cc1 1872749293 KAFYWUUVAZRKMD-SGEDCAFJSA-N 482.605 7.213 50 10 JKGE COc1c(Cl)cc(Cl)cc1-c1csc(/C(C#N)=C(\O)c2ccc(-n3cccc3)cc2)n1 1872754071 AZICMXUSNVEDAT-UZYVYHOESA-N 468.365 6.866 50 10 JKGE COc1cc(OC)c(-c2csc(/C(C#N)=C(\O)c3cc(Cl)ccc3Cl)n2)cc1Cl 1872756583 QNFXDYAYDPURLW-UYRXBGFRSA-N 467.761 6.737 50 10 JKGE COc1cc(-c2csc(/C(C#N)=C(\O)c3cccc(OCC(C)C)c3)n2)c(OC)cc1Cl 1872756629 SWHRQRMFZSCQIP-NKFKGCMQSA-N 470.978 6.465 50 10 JKGE COc1c(Cl)cc(Cl)cc1-c1csc(/C(C#N)=C/c2c(Cl)cccc2Cl)n1 1872792644 JSNHZNYPQSFYQO-BJMVGYQFSA-N 456.181 7.496 50 10 JKGE C[C@@H](CCBr)N(Cc1ccccc1)c1ncc(Br)c2ccsc12 1915082572 LBWKAWKUJNVKFY-ZDUSSCGKSA-N 454.231 6.239 50 10 JKGE C[C@@H]1CCC[C@@H]1[C@H](Br)c1c(Br)sc(Br)c1Cl 1923068714 VMVZHJHBEINXLX-CHKWXVPMSA-N 451.449 6.799 50 10 JKGE CC[C@@H](C(C)C)[C@@H](Cl)c1c(Br)sc(Br)c1Br 1924613903 LURQKDHKXWEWDC-IMTBSYHQSA-N 453.465 6.998 50 10 JKGE Clc1ccc([C@H](Br)Cc2ncccc2Br)cc1Br 1924860327 FEIBSJCAYFMDBD-SNVBAGLBSA-N 454.387 5.939 50 10 JKGE Cc1cc(C)c([C@@H](Br)c2csnc2Br)c(C)c1Br 1925249123 WSJAHAITBFJNQL-LBPRGKRZSA-N 454.025 6.078 50 10 JKGE CCC(CC)([C@H](Br)c1c(Cl)sc(Br)c1Cl)C(F)(F)F 1925621950 OUVCYLDKXZIMAM-SSDOTTSWSA-N 462.984 7.622 50 10 JKGE C[C@]1([C@H](Br)c2sc(Br)cc2Br)C[C@@H]1C(F)(F)F 1950756316 ZMDIXGLCSVLQHC-NGESMGFYSA-N 456.947 6.298 50 10 JKGE C[C@@]1([C@@H](Br)c2cc(Br)sc2Br)CCCC1(F)F 2002580609 CIAVJWNGKMNTSG-WPRPVWTQSA-N 452.984 6.535 50 10 JKGE CC(C)(C)N(Cc1ccccc1)S(=O)(=O)c1ccc(CBr)c(Br)c1 2009711230 UQWOSQYBMVDNHH-UHFFFAOYSA-N 475.246 5.333 50 10 JKGE CS(=O)(=O)c1csc([C@H](Br)c2cc(Br)c(Br)s2)c1 2032178071 LIYTZPGPTABZLD-VIFPVBQESA-N 495.077 5.222 50 10 JKGE COc1cc(C=C(C#N)c2nc3ccccc3s2)ccc1OCC(=O)Nc1c(C)cc(C)cc1C 2040447193 QBKKJCGWIXCNQY-UHFFFAOYSA-N 483.593 6.312 50 10 JKGE Fc1c(Cl)cccc1C[C@@H](Br)c1cc(Br)sc1Br 2050548218 CEBLENHOZDRQLR-MRVPVSSYSA-N 477.418 6.744 50 10 JKGE CO[C@@H]1CCC[C@@H]([C@@H](Br)c2c(Br)sc(Br)c2Cl)C1 2062719257 VUMKAEGICUBQLU-ZXFLCMHBSA-N 481.475 6.568 50 10 JKGE Fc1cccc(C(F)(F)F)c1-n1nc(CBr)c(Br)c1C(F)(F)F 2079233102 MNQSKYJVGXIUBM-UHFFFAOYSA-N 469.980 5.706 50 10 JKGE CCC12COC([C@H](Br)c3sc(Br)c(C)c3Br)(C1)C2 2084483209 DWMMCFLIQJJWNX-QFWMXSHPSA-N 459.041 5.977 50 10 JKGE CC(C)(C)CN(CCBr)C(=O)c1cccc(Br)c1Br 2092334660 WEGMTGTUHYEXPT-UHFFFAOYSA-N 456.016 5.095 50 10 JKGE FC1(F)CC2(CC([C@@H](Cl)c3c(Br)sc(Br)c3Br)C2)C1 2102619709 JYSQPJDJQKNWCN-MRVPVSSYSA-N 499.440 7.141 50 10 JKGE C[C@@]1(CBr)CC(F)(F)CN1Cc1cc(Br)ccc1Br 2118530642 SMABVKTZOMGQPF-LBPRGKRZSA-N 461.970 5.206 50 10 JKGE Cc1cc([C@H](Cl)c2c(Br)cc(F)c(Cl)c2F)c(Br)s1 2136967438 UKJSIVUQAVAHOU-VIFPVBQESA-N 450.957 6.841 50 10 JKGE Cc1ccc(Cl)cc1[C@@H](Br)c1ccc(Br)c(C)c1Br 2138853825 RKDCWJHLJQOJRO-HNNXBMFYSA-N 467.426 6.966 50 10 JKGE Cn1ncc2cc([C@@H](Br)c3ccc(Br)cc3Br)sc21 2138873734 ZEXGQOKZAJZENB-LBPRGKRZSA-N 465.008 5.644 50 10 JKGE CCC[C@H]1CN(Cc2c(Br)cccc2Br)C[C@@H]1CBr 2140787977 PAXRRCBZCFRZMY-RYUDHWBXSA-N 454.044 5.455 50 10 JKGE FC(F)(F)[C@H]1CCc2c3c(cc(I)c2[C@H](Br)C1)CCO3 2146435314 JUSZRLPPGQOEBQ-WCBMZHEXSA-N 461.059 5.177 50 10 JKGE Cc1cc(Br)c([C@@H](Br)[C@H]2CCn3ccnc3C2)cc1Br 2165269251 XYPXTKJSBPLRPU-BONVTDFDSA-N 463.011 5.415 50 10 JKGE Clc1cc(Br)cc(C[C@H](CBr)Cc2ccccc2Br)c1 2166829315 BYVNOQRAVCNQFV-LBPRGKRZSA-N 481.453 6.661 50 10 JKGE Clc1cc([C@H](Cl)c2c(Cl)cccc2Br)c(Cl)c(Cl)c1Cl 2169466275 JEBJCBNQTOGJAZ-JTQLQIEISA-N 453.805 8.044 50 10 JKGE CC(C)[S@@](=O)(=NCC1(CBr)CCCCC1)[C@@H]1CCN(C(=O)OC(C)(C)C)C1 2183213954 ABXMYXFFKZBAFN-CRYYWNKWSA-N 465.498 5.218 50 10 JKGE Clc1ccc(Br)c(CO[C@@H](CBr)c2cccc(Br)c2)c1 2200755023 WGJBSQHLIWSJJL-HNNXBMFYSA-N 483.425 6.518 50 10 JKGE Cc1cc(Br)c(C)c([C@H](Br)[C@@H]2CCCCC2(F)F)c1Br 2201069231 JNDMTEZHDVSFLC-IINYFYTJSA-N 475.009 7.090 50 10 JKGE Cc1cc(Cl)c(Br)cc1[C@@H](Br)c1c(F)cc(Br)cc1F 2202353344 RGVLRMDGGVODLC-CQSZACIVSA-N 489.379 6.936 50 10 JKGE Cc1c(Br)ccc([C@@H](Br)c2cc(F)c(Cl)cc2F)c1Br 2203688298 UFKYVUPUOMFCLV-CQSZACIVSA-N 489.379 6.936 50 10 JKGE Cc1c(Br)ccc([C@@H](Br)[C@@]2(C)CCCC(F)(F)C2)c1Br 2203688401 TUHBRDDJTAZPPV-KGLIPLIRSA-N 475.009 7.172 50 10 JKGE Cc1sc(Br)c(C)c1[C@H](Br)c1ccccc1OCc1ccccc1 2213641275 NTMPOWUOJRUUHP-LJQANCHMSA-N 466.238 7.191 50 10 JKGE Clc1cc(Br)ccc1C[C@@H](Br)c1csc(Br)c1 2215854666 UGMUBDOZDMAMAW-SNVBAGLBSA-N 459.428 6.605 50 10 JKGE CCCOC1([C@@H](Br)c2c(Br)cc(Cl)c(Cl)c2Cl)CC1 2224304498 KANUETRIIAUWCI-LBPRGKRZSA-N 451.413 6.805 50 10 JKGE CCOCc1cc(Br)c([C@H](Br)c2ccccc2OCc2ccccc2)s1 2224792014 KWGTYOQTVZMVGL-HXUWFJFHSA-N 496.264 7.110 50 10 JKGE COc1cc(F)ccc1[C@H](Cl)c1c(Br)sc(Br)c1Br 2225634433 OUOPFLGZZRVMCQ-JTQLQIEISA-N 493.417 6.512 50 10 JKGE COC1CC(CC[C@H](Br)c2c(Br)cc(Cl)c(Cl)c2Cl)C1 2232509265 CLHUDZCWAZSGMW-HACHORDNSA-N 465.440 7.051 50 10 JKGE Cc1cc(Br)c([C@H](Br)Cc2ccc(Br)cc2)c(C)c1Cl 2232530741 UTABJZHFUGFELI-CQSZACIVSA-N 481.453 7.161 50 10 JKGE Brc1ccc(Br)c(CN2CC[C@@H]3[C@H](Br)CCC[C@H]3C2)c1 2233818958 CMDLETYHDJGKGF-HZUKXOBISA-N 466.055 5.597 50 10 JKGE Cc1sc([C@H](Cl)c2cc(Cl)c(Cl)c(Cl)c2Cl)c(C)c1Br 2234462883 BMGCDHDWWRYVTE-SNVBAGLBSA-N 453.443 8.069 50 10 JKGE Cc1ccc([C@H](Cl)c2c(F)cc(F)c(Br)c2F)cc1I 2236108893 LICAAWRUCWEZTO-ZDUSSCGKSA-N 475.473 6.108 50 10 JKGE Cc1cc(Br)c([C@@H](Br)C2(C)CC3(CCC3)C2)c(C)c1Br 2236515437 DOMZDAMQWFQARQ-OAHLLOKOSA-N 465.067 7.235 50 10 JKGE Cc1sc([C@@H](Br)c2cc3c(cc2Br)OCC3)c(Br)c1C 2237629081 DTNNFFBMLUXVOW-AWEZNQCLSA-N 481.047 6.309 50 10 JKGE CCOc1ccc([C@H](Cl)c2cc(C)ccc2I)c(Br)c1 2240999628 CIYJNGPBHKWPNK-INIZCTEOSA-N 465.556 6.089 50 10 JKGE FC1(F)C[C@@H]([C@@H](Br)c2c(Cl)sc(Br)c2Cl)C12CCC2 2266146868 MYYMNUOXGJZBAC-CAHLUQPWSA-N 454.989 7.079 50 10 JKGE CO[C@@H]1CCC[C@H]([C@@H](Br)Cc2cc(Br)cc(Br)c2)C1 2277951961 BVHWFSIJWRDHPC-GLQYFDAESA-N 455.028 5.723 50 10 JKGE Cc1c(Br)ccc([C@H](Br)C2(C)CC(C(F)(F)F)C2)c1Br 2279199237 XNNFNDUNDALUKD-CXJYDNQRSA-N 478.972 6.935 50 10 JKGE CCc1ccc(-c2csc(C(C#N)=CNc3ccc(Cl)cc3C(=O)c3ccccc3)n2)cc1 2295934409 SGKLSCVLHNSHEH-UHFFFAOYSA-N 469.997 7.233 50 10 JKGE COc1ccc(NC(SCc2ccc(C)cc2)=C(C#N)S(=O)(=O)c2ccccc2)cc1Cl 2297350033 OFKDUYHYLRKFLT-UHFFFAOYSA-N 485.030 6.169 50 10 JKGE CC(=O)Nc1ccc(-n2c(C)cc(C=C(C#N)C(=O)Nc3ccc(Cl)cc3Cl)c2C)cc1 2297382219 XLSYRSDTJIYXFQ-UHFFFAOYSA-N 467.356 5.905 50 10 JKGE CCOc1ccc(-n2c(C)cc(C=C(C#N)C(=O)O[C@@H](C)C(=O)N(CC)c3ccccc3)c2C)cc1 2297486631 QRJLZSRFVJPGAS-QFIPXVFZSA-N 485.584 5.385 50 10 JKGE Brc1cc(OCc2ccccc2)ccc1[C@H](Br)[C@@H]1[C@H]2CCCO[C@H]21 2299493171 FYAFMWGLUOVBOT-BTHPGYMESA-N 452.186 5.889 50 10 JKGE CC(C)(C)C[C@H](Br)c1c(Cl)cc(Br)c(F)c1Br 2300172503 RQJPANSNERWDSO-ZETCQYMHSA-N 451.399 6.876 50 10 JKGE Clc1ccc(CNCCCCCCI)cc1I 2300239387 XJMRIMZZKBXCMT-UHFFFAOYSA-N 477.555 5.030 50 10 JKGE BrC[C@H](CSc1cc(I)ccc1Br)CC1CC1 2300791835 DQBKGMVZTLTCKR-SNVBAGLBSA-N 490.042 5.957 50 10 JKGE C[C@@H](CCBr)N(Cc1ccccc1)C(=O)c1cc(F)c(Br)cc1O 2301384340 JYTUKQCMGZTVCN-LBPRGKRZSA-N 459.153 5.110 50 10 JKGE N#CC(=Cc1cc(Br)ccc1OCc1ccccc1F)C(=O)Nc1cccc(Cl)c1 2313630664 DJAYGNFVRXFUQL-UHFFFAOYSA-N 485.740 6.366 50 10 JKGE COc1cc(C=C(C#N)C(=O)Nc2ccccc2Cl)ccc1OCc1ccc(Cl)c(Cl)c1 2313630882 HCUSUDGHYIRXGT-UHFFFAOYSA-N 487.770 6.780 50 10 JKGE Cc1cccn2c(=O)c(C=C(C#N)c3nc4ccccc4n3C)c(Oc3ccccc3Cl)nc12 2314436772 ANOYOPHZYBJJMS-UHFFFAOYSA-N 467.916 5.400 50 10 JKGE COc1ccc(N2C(=O)[C@H](Cc3ccc(C)c(C)c3)SC2=C(C#N)C(=O)Nc2ccccc2C)cc1 2314592407 SOWZMTHOKIKLIV-SANMLTNESA-N 497.620 5.685 50 10 JKGE COc1ccc(CN2C(=O)C(=Cc3ccc(-c4cccc(Cl)c4)o3)C(C)=C(C#N)C2=O)cc1 2314616909 MSDAALBPWCGJLC-UHFFFAOYSA-N 458.901 5.401 50 10 JKGE Cc1nc(Br)c([C@H](Br)c2c(Cl)sc(Br)c2Cl)n1C 2315630308 NFTAXMCWPALQQZ-RXMQYKEDSA-N 497.865 6.106 50 10 JKGE FC1(F)C[C@]12CC[C@H]([C@@H](Br)c1sc(Cl)cc1I)C2 2316777308 LWIVCSVDUVFJKU-PTHKFVFGSA-N 467.544 6.268 50 10 JKGE Clc1ccc([C@@H](Cl)Cc2ccncc2Br)c(I)c1 2317745042 SNMVJNRGGRYJLZ-LBPRGKRZSA-N 456.936 5.625 50 10 JKGE COc1ccc(C(C#N)=Cc2ccc(OC(=O)c3ccc(Br)o3)c(OC)c2)cc1 2320507036 XITNOOXODGCRGF-UHFFFAOYSA-N 454.276 5.343 50 10 JKGE CCCOc1ccc(-c2csc(C(C#N)=C(O)Cc3ccc(OC)cc3)n2)cc1OCCC 2331293328 XFAFCHXMZLKYIK-UHFFFAOYSA-N 464.587 6.432 50 10 JKGE CC(C)(C)c1ccc(OCCCC(O)=C(C#N)c2nc(-c3ccc4c(c3)OCO4)cs2)cc1 2331335864 UWDRJFLEVGFAGK-UHFFFAOYSA-N 462.571 6.488 50 10 JKGE COc1ccc(OCCCC(O)=C(C#N)c2nc(-c3cc(Cl)c(OC)c(Cl)c3)cs2)cc1 2331397536 NDGVWITVPSGFEX-UHFFFAOYSA-N 491.396 6.786 50 10 JKGE CCCOc1ccc(-c2csc(C(C#N)=Cc3ccc(OCc4ccc(Cl)cc4)cc3)n2)cc1 2331445417 SXWZLCANQLVCQG-UHFFFAOYSA-N 487.024 7.895 50 10 JKGE CCCCCOc1ccc(C=C(C#N)c2nc(-c3ccc(OC)cc3OC)cs2)cc1OCC 2331473259 LHVKPIFYJCNFHO-UHFFFAOYSA-N 478.614 6.859 50 10 JKGE CCCCCOc1ccc(C=C(C#N)c2nc(-c3ccc(OC)c(Cl)c3)cs2)cc1OCC 2331480965 RKGTYURVTJATDU-UHFFFAOYSA-N 483.033 7.504 50 10 JKGE Brc1cc(OCc2ccccc2)ccc1[C@H](Br)[C@@H]1C[C@@H]1C1CCOCC1 2336043029 CHGJPURUOSNHIU-SJBKTWHCSA-N 480.240 6.527 50 10 JKGE Brc1cc(OCc2ccccc2)ccc1[C@H](Br)[C@@H]1C[C@H]1C1CCOCC1 2336043037 CHGJPURUOSNHIU-VWPQPMDRSA-N 480.240 6.527 50 10 JKGE COc1cc(Cl)ccc1[C@@H](Cl)c1ccc(OCc2ccccc2)cc1Br 2336051495 SFAOGYJKATYVIX-NRFANRHFSA-N 452.175 7.018 50 10 JKGE CC(C)(CCCl)c1nnc(-c2cc(Br)ccc2I)s1 2337073614 ZESUSFTYROPHMU-UHFFFAOYSA-N 471.589 5.479 50 10 JKGE COc1ccc([C@H](Br)c2c(Cl)cc(Br)c(F)c2Br)s1 2337084422 LHSHTEAAEYIKNI-JTQLQIEISA-N 493.417 6.559 50 10 JKGE Clc1cc(I)c([C@H](Br)[C@@H]2CCCc3ccccc32)s1 2338558902 QEGGRGCXVODHRZ-BXUZGUMPSA-N 467.597 6.562 50 10 JKGE ClCc1cc(OCc2ccc(Cl)cc2I)ccc1Br 2341046604 DSHRZSWSWKAFMP-UHFFFAOYSA-N 471.947 6.025 50 10 JKGE Cc1ccccc1[C@@H](CBr)Cc1ccc(I)c(Br)c1 2349841249 IDASJUXZVNPTNV-CYBMUJFWSA-N 494.008 6.083 50 10 JKGE Clc1ccc(CN2CCC[C@@H]3CC[C@@H](Br)C[C@@H]32)cc1I 2362381583 XOMHBPYFNWODHN-IOASZLSFSA-N 468.604 5.473 50 10 JKGE CC(C)(C)OC(=O)NCC[C@H]1CCN(CC2(CBr)CCC2)[C@@H](C(F)(F)F)C1 2362812519 BTMSFXJAKQYELA-LSDHHAIUSA-N 457.375 5.109 50 10 JKGE Fc1ccc(C(F)F)c([C@@H](Cl)c2c(Br)sc(Br)c2Cl)c1 2363675915 HNUBWCIHLAHCNH-MRVPVSSYSA-N 468.947 7.331 50 10 JKGE Brc1cc(Br)cc(C[C@@H](Br)[C@H]2C[C@H]3CCC[C@H]2CC3)c1 2364129407 HYHPRSPHVYDJRU-WGGXSYPISA-N 465.067 6.734 50 10 JKGE CCn1cc(Br)c([C@@H](Cl)c2c(C)cc(Br)c(F)c2Br)n1 2365196081 IUIFGCBLCNGLGS-NSHDSACASA-N 489.408 5.966 50 10 JKGE COc1c(Br)cc(C)c([C@@H](Br)[C@H]2[C@H]3[C@H]4C[C@@H]2C[C@H]43)c1Br 2365217059 AGXJZPFQGUHFTL-ZFDYKFRGSA-N 465.023 5.867 50 10 JKGE Cc1cc(Br)ccc1[C@@H](Cl)c1c(C)cc(Br)c(F)c1Br 2365223943 SIXRZLCQRQLNJC-CQSZACIVSA-N 485.416 7.058 50 10 JKGE COc1c(Br)cc(C)c([C@@H](Br)CCC2CCCC2)c1Br 2365233703 VEQCDEGHINNSIT-LBPRGKRZSA-N 469.055 6.935 50 10 JKGE COc1c(Br)cc(C)c([C@H](Br)[C@@H]2C[C@@H](C)O[C@@H]2C)c1Br 2365234429 JFYGSQYLABNEBS-VWMGYNLJSA-N 471.027 5.778 50 10 JKGE CCOc1ccc([C@H](Br)c2ccc(I)c(Cl)c2)c(F)c1 2367462669 ZBYSFTRGEUDDAT-OAHLLOKOSA-N 469.519 5.967 50 10 JKGE CC(C)(C)OC(=O)N(CC(F)F)[C@@H]1CCCN(C[C@](C)(CBr)C(C)(C)C)C1 2380167423 GUGVPNZWQLNYGQ-QRWLVFNGSA-N 455.428 5.400 50 10 JKGE Cc1ccc(C[C@@H]2S/C(=C(\C#N)C(=O)Nc3ccc(C)c(Cl)c3)N(c3ccccc3)C2=O)cc1 2284249 NMTFZGXZBINXSQ-ABPPERTMSA-N 488.012 6.022 50 10 JKGE COc1ccccc1[C@@H]1C(C#N)=C2N=C(N)c3ccccc3N2C2=C1C(=O)C[C@H](c1ccccc1)C2 3654390 WDMRADXDALLKPM-XHCCPWGMSA-N 472.548 5.154 50 10 JKGE Cc1ccc(NC(=O)/C(C#N)=C\c2cn(Cc3ccc(Cl)c(Cl)c3)c3ccccc23)c(C)c1 33362778 QLMLXHITTQHDAP-MOSHPQCFSA-N 474.391 7.159 50 10 JKGE N#C/C(=C/c1ccccc1OCc1ccccc1Cl)C(=O)Nc1ccc([N+](=O)[O-])cc1Cl 33422565 SHZWHLOGCKKKBQ-BOPFTXTBSA-N 468.296 6.026 50 10 JKGE Cc1ccc(NC(=O)/C(C#N)=C2/S[C@H](Cc3ccc(F)cc3)C(=O)N2c2ccc(F)cc2)cc1 33579574 UDQFAGAQGXCZDF-QPQMVVSWSA-N 475.520 5.338 50 10 JKGE CCCOc1ccc(/C=C(/C#N)C(=O)Nc2sc3c(c2C(=O)OC)CC[C@@H](C(C)(C)C)C3)cc1 33596184 RLGLAIUGHRKZJL-GDLUXTLDSA-N 480.630 6.020 50 10 JKGE CC(C)c1ccccc1N1C(=O)CS[C@H]1c1ccc(NC(=O)[C@H](Cl)c2ccccc2)cc1 35927517 OVSUEIDDYPBGGB-RSXGOPAZSA-N 465.018 6.507 50 10 JKGE C[C@@H](Oc1ccc(F)cc1)C(=O)Oc1ccc2c(c1)OC(N)=C(C#N)[C@H]2c1ccc(Cl)cc1Cl 38655453 KDBSWKXDLYMISG-ZLOXQWCVSA-N 499.325 5.724 50 10 JKGE CCCOc1ccccc1[C@@H]1C(C#N)=C(N)Oc2cc(OC(=O)COc3ccc(Cl)cc3)ccc21 38681341 OJLALLILJDUVHQ-SANMLTNESA-N 490.943 5.331 50 10 JKGE CCCOc1ccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4ccc(F)cc4)ccc32)cc1OCC 38683789 KSQDLCDVSJVQOE-AREMUKBSSA-N 488.515 5.451 50 10 JKGE Cc1ccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4oc5cc(C)ccc5c4C)ccc32)cc1 38686970 SGRDIOAVTYKODI-RUZDIDTESA-N 450.494 5.795 50 10 JKGE Cc1c(C(=O)N2c3ccc(F)cc3CC[C@H]2C)oc2c1/C(=N/NC(=O)c1ccc(Cl)cc1)CCC2 40811623 ZTIGWGRRATUJND-FQRZLYOMSA-N 493.966 5.832 50 10 JKGE Cc1ccc(NC(=O)c2oc3c(c2C)/C(=N/NC(=O)c2cccc4ccccc24)CCC3)cc1C 40813558 HUWIWEHTNMPSEQ-QFMPWRQOSA-N 465.553 6.081 50 10 JKGE COc1cccc(C(=O)N/N=C2\CCCc3oc(C(=O)Oc4ccc5ccccc5c4)c(C)c32)c1 40822209 YFCYTENRKDGDMG-BYNJWEBRSA-N 468.509 5.439 50 10 JKGE CCOc1ccc(/C=C(\C#N)C(=O)Nc2sc(C)c(-c3ccc(F)cc3)c2C(=O)OC)cc1 40939446 HKBOYEYMYJVJNL-QGOAFFKASA-N 464.518 5.594 50 10 JKGE COc1c(Br)cc(/C=C(/C#N)c2nc3ccccc3[nH]2)c(OC)c1Br 50838754 LKVVBCQMZLRHIS-XFFZJAGNSA-N 463.129 5.169 50 10 JKGE C[C@@H](Cl)c1nc2cc(I)ccc2n1Cc1cc(Br)cs1 97355200 ZTMHQMLYCFFKGM-MRVPVSSYSA-N 481.584 5.813 50 10 JKGE COc1cc(/C=C(\C#N)c2nc3ccccc3[nH]2)ccc1OCc1ccc(Cl)c(Cl)c1 113830968 HUYLWRMLXQYOFP-LICLKQGHSA-N 450.325 6.521 50 10 JKGE Brc1ccc([C@@H](Br)c2ccc(Br)c3ccccc23)s1 127470434 FHLMXLIJJSGKRR-HNNXBMFYSA-N 461.016 6.911 50 10 JKGE Cc1cc(I)ccc1N/C=C(/C#N)C(=O)NC(c1ccccc1)c1ccccc1 216975075 LSXQGUQUDPCWJW-SILNSSARSA-N 493.348 5.325 50 10 JKGE N#C/C(=C/Nc1cc(C(F)(F)F)cc(C(F)(F)F)c1)C(=O)Nc1cccc(C(F)(F)F)c1 217146577 DNBHJGXNLXRPJY-KTKRTIGZSA-N 467.291 6.201 50 10 JKGE COc1ccc([C@@H](Br)c2cc(Br)c(C)s2)cc1Br 227833481 IHBXOMJGQGWEKQ-CYBMUJFWSA-N 455.009 6.074 50 10 JKGE CCOc1ccc([C@@H](Br)c2cc(Br)ccc2I)cc1 233818581 HHFAONPPPIINJY-OAHLLOKOSA-N 495.980 5.937 50 10 JKGE COc1cc(Br)c([C@@H](Br)c2csc(Br)c2)cc1OC 234923915 DYXLDEHSNDKNAH-ZDUSSCGKSA-N 471.008 5.775 50 10 JKGE O=C(COc1ccc2ccccc2c1)NN=Cc1cccc(OCc2cccc(C(F)(F)F)c2)c1 254420327 RFTFZWDWZHIVMU-UHFFFAOYSA-N 478.470 5.967 50 10 JKGE CCCCCCCc1ccc(C(=O)Oc2ccc(C=NNC(=O)c3ccncc3)c(O)c2)cc1 254840891 KAAZESZJBINOII-UHFFFAOYSA-N 459.546 5.283 50 10 JKGE Cc1nn(-c2ccccc2)c(C)c1C=NNC(=O)c1cc(-c2ccc(-c3ccccc3)cc2)n[nH]1 254855131 FSRSRTZOHCYAMF-UHFFFAOYSA-N 460.541 5.310 50 10 JKGE Brc1cc2c(cc1[C@H](Br)c1ccccc1I)CCO2 308435360 LYVHJFDHTVXNTQ-OAHLLOKOSA-N 493.964 5.473 50 10 JKGE FC(F)(F)c1csc([C@@H](Br)c2cc(Cl)ccc2Cl)c1Br 380250562 PLBQLSBUOTWHCT-VIFPVBQESA-N 468.947 7.321 50 10 JKGE C[C@H](Cl)c1nc2cncc(Cl)c2n1CCCN(Cc1ccccc1)Cc1ccccc1 390603298 WTOWWEZPGKOXBC-IBGZPJMESA-N 453.417 6.477 50 10 JKGE CC(C)(C)[Si](C)(C)OCCc1cccc(C2CCN(CCO[Si](C)(C)C(C)(C)C)CC2)c1 616619633 PPOWORQSKXZEFZ-UHFFFAOYSA-N 477.882 7.452 50 10 JKGE CC(C)(C)[Si](C)(C)OCCc1ccc([C@H]2COCCCN2S(=O)(=O)c2ccccc2)cc1 616649798 ZETAHAJKZPIZDP-XMMPIXPASA-N 475.727 5.403 50 10 JKGE CN(C(=O)OC(C)(C)C)c1ccc([C@@H]2CNc3ccccc3N2CCO[Si](C)(C)C(C)(C)C)cc1 616686640 LYMCUFBSBDNKPJ-VWLOTQADSA-N 497.756 7.053 50 10 JKGE C[C@@]1(n2c(CCCl)nc3ccc(F)c(Br)c32)CCN(Cc2ccccc2)C1 689763248 NGVYUCWCDVLUJM-OAQYLSRUSA-N 450.783 5.340 50 10 JKGE BrCc1c(Br)cccc1N1C[C@H]2CC[C@H]1[C@H]1CN(Cc3ccccc3)C[C@H]21 705886863 UAQVHRVILXYKBE-DBBLALLESA-N 490.283 5.691 50 10 JKGE Brc1ccc([C@H](Br)c2scc(Br)c2Br)cc1 707818240 WALMBJDWKRJYDV-VIFPVBQESA-N 489.852 6.520 50 10 JKGE Cc1ccc([C@@H](Br)c2cccc(Br)c2F)c(C)c1Br 719534179 GJOBEMQWNWTMOR-CQSZACIVSA-N 450.971 6.452 50 10 JKGE CC(=NNC(=O)COc1ccc(Cl)cc1Br)C(c1ccccc1)c1ccccc1 1083888112 IIZHUMDPEYVKSJ-UHFFFAOYSA-N 471.782 5.806 50 10 JKGE Cc1ccc(C)c(NC(=O)/C(C#N)=C\c2cc(Br)ccc2OCc2ccccc2F)c1 1083902807 KAIUJQFULXIGKE-NDENLUEZSA-N 479.349 6.330 50 10 JKGE C=CCn1c(CCc2ccccc2)nnc1SCC(=O)NN=C(C)c1ccc2ccccc2c1 1084193139 BXCHPGNTNKMJDN-UHFFFAOYSA-N 469.614 5.035 50 10 JKGE COc1cccc(C=NNC(=O)CCCSc2nnc(CCc3ccccc3)n2-c2ccccc2)c1 1084303914 YLYJANJVUGEHON-UHFFFAOYSA-N 499.640 5.084 50 10 JKGE COc1cc(C=NNC(=O)c2ccc(Cl)cc2)cc(Br)c1OCc1ccccc1 1084628887 CIUUNAVGDQGJMC-UHFFFAOYSA-N 473.754 5.454 50 10 JKGE COc1cc2ccccc2cc1C(=O)NN=C1C(=O)N(C/C=C\c2ccccc2)c2ccccc21 1084641307 PACHIEQGTRLROX-SOSVZBEKSA-N 461.521 5.043 50 10 JKGE CC(=NNC(=O)c1cc2ccccc2cc1O)c1ccc2c(c1)[C@@H]1C=CC[C@@H]1[C@@H](c1ccccc1)N2 1565518738 TVKWLAPEUOAAHY-UNHDOIQYSA-N 473.576 6.526 50 10 JKGE Cc1c(C(=O)Nc2cccc3ncccc23)oc2c1C(=NNC(=O)c1ccccc1Cl)CCC2 1772744184 RNZPGGPNNTUPRK-UHFFFAOYSA-N 472.932 5.512 50 10 JKGE Cc1c(C(=O)NCCc2cccs2)oc2c1C(=NNC(=O)c1ccc(Cl)cc1Cl)CCC2 1772745796 KYYZXSCSNLQZFV-UHFFFAOYSA-N 490.412 5.399 50 10 JKGE Cc1c(C(=O)NN(c2ccccc2)c2ccccc2)oc2c1C(=NNc1ccccc1)CCC2 1772751188 WWQNENNHRTVPMX-UHFFFAOYSA-N 450.542 6.224 50 10 JKGE CCOc1ccc(C=NNC(=O)COc2ccc(-c3ccccc3)cc2Br)cc1OC 1772754040 BGHHWVPNMHFWDI-UHFFFAOYSA-N 483.362 5.053 50 10 JKGE CC(C)(C)CC(C)(C)c1ccc(OCC(=O)NN=Cc2ccccc2OCc2ccccc2)cc1 1772754388 SWIVCEPRIFIHJO-UHFFFAOYSA-N 472.629 6.509 50 10 JKGE N#CSc1ccc(NC(=O)Oc2cccc3c(NC(=O)Cc4ccncc4)cccc23)cc1 1858780142 LRVIVOWKNCADAD-UHFFFAOYSA-N 454.511 5.600 50 10 JKGE Cc1ccc(Cn2nc(-c3ccccc3)c3c2OC(N)=C(C#N)[C@H]3c2ccc(Cl)cc2)cc1 1865683092 FWTXWQYUJGNNOQ-HSZRJFAPSA-N 452.945 5.778 50 10 JKGE COc1ccc(-c2nn(Cc3ccc(C)cc3)c3c2[C@H](c2ccc(C)cc2)C(C#N)=C(N)O3)cc1 1865684879 AGRPGTSBBSRHCT-RUZDIDTESA-N 462.553 5.442 50 10 JKGE COc1ccc(-n2nc(C(F)(F)F)c3c2OC(N)=C(C#N)[C@@H]3c2c(OC)ccc3ccccc23)cc1 1865688689 YJSKRPZTXPXAAU-OAQYLSRUSA-N 492.457 5.280 50 10 JKGE CCCOc1ccc([C@@H]2C(C#N)=C(N)Oc3c2c(-c2ccc(OC)cc2)nn3CCC)cc1OCC 1865691693 YZGRIOXMRHMTFB-XMMPIXPASA-N 488.588 5.374 50 10 JKGE CCOc1ccc([C@H]2C(C#N)=C(N)Oc3c2c(C(F)(F)F)nn3-c2ccc(Cl)cc2)cc1 1865692732 FRYIJORFIGNSNA-KRWDZBQOSA-N 460.843 5.161 50 10 JKGE CCCOc1cccc([C@H]2C(C#N)=C(N)Oc3c2c(C(F)(F)F)nn3-c2cccc(Cl)c2)c1 1865693270 IQLIYAVPSNBOIJ-SFHVURJKSA-N 474.870 5.551 50 10 JKGE CCCCCOc1ccc([C@@H]2C(C#N)=C(N)Oc3c2c(CC)nn3Cc2ccccc2Cl)cc1 1865694521 YRLSZRVWEQWPDW-XMMPIXPASA-N 477.008 5.934 50 10 JKGE Cc1nn(-c2ccc(Cl)c(Cl)c2)c2c1[C@H](c1cc(Br)ccc1F)C(C#N)=C(N)O2 1865701724 COTUIHMBUVDYJV-GOSISDBHSA-N 494.151 5.607 50 10 JKGE CCCn1nc(-c2ccccc2)c2c1OC(N)=C(C#N)[C@@H]2c1cc(Br)ccc1F 1865702347 TWTIQXDFOLFKAQ-SFHVURJKSA-N 453.315 5.080 50 10 JKGE CCN(CC)c1ccc([C@H]2C(C#N)=C(N)Oc3c2c(-c2ccccc2)nn3Cc2ccc(F)cc2)cc1 1865702353 UAEZDBYEAHQLHN-SANMLTNESA-N 493.586 5.802 50 10 JKGE CCCOc1ccccc1[C@H]1C(C#N)=C(N)Oc2c1c(C(F)(F)F)nn2Cc1ccc(F)cc1 1865702436 AHGKDUBCZYLDEZ-IBGZPJMESA-N 472.442 5.096 50 10 JKGE CCc1nn(Cc2ccccc2)c2c1[C@@H](c1ccc(OCc3ccccc3C)cc1)C(C#N)=C(N)O2 1865703133 NTDISCJCZPDOEZ-MHZLTWQESA-N 476.580 5.599 50 10 JKGE CCCc1nn(CCC)c2c1[C@H](c1ccc(OCc3ccccc3Cl)cc1)C(C#N)=C(N)O2 1865703918 IRQAJHXUUVKMSL-HSZRJFAPSA-N 462.981 5.696 50 10 JKGE N#CC1=C(N)Oc2c(c(-c3ccccc3)nn2Cc2ccccc2Cl)[C@H]1c1cccc([N+](=O)[O-])c1 1865705763 FDTWTVVKTOHWSC-QFIPXVFZSA-N 483.915 5.378 50 10 JKGE CSCC[C@@H](NC(=O)C[C@H](C)c1cccc(Cl)c1)C(=O)Nc1ccc(SC#N)cc1 1867185277 SNTZXCMISKMXIJ-MGPUTAFESA-N 462.040 5.283 50 10 JKGE Cc1ccc(-c2nc(Nc3ccc(SC#N)cc3)cc(N3CCc4cc5ccccc5nc43)n2)cc1 1868320610 MAOFJBGHUGSQQJ-UHFFFAOYSA-N 486.604 7.011 50 10 JKGE COc1c(Cl)cc(Cl)cc1-c1csc(/C(C#N)=C(\O)c2cccc(Br)c2)n1 1872754452 SWPPAUICXZZTSS-VKAVYKQESA-N 482.186 6.838 50 10 JKGE COc1c(C)cc(Cl)cc1-c1csc(/C(C#N)=C(\O)CNC(=O)c2ccc(Cl)cc2)n1 1872757254 XAZJMCQKCPVQFE-ZPHPHTNESA-N 474.369 5.657 50 10 JKGE CCOc1cc(/C=C(\C#N)c2nc(-c3ccc(C)c(C)c3)cs2)ccc1OCc1ccc(C)cc1 1872793681 NDQREFXFEGTMNV-CVKSISIWSA-N 480.633 7.777 50 10 JKGE CCCC1CCC([C@@H](Br)c2c(Br)sc(Br)c2Cl)CC1 1878039609 RDXONILLXWKIEW-NWGYLPEXSA-N 493.530 7.969 50 10 JKGE FC1(F)[C@@H]2CC[C@H]([C@H](Br)c3cc(Br)sc3Br)[C@@H]21 1905706545 ONAXIUOWGUDYGB-GBKGBNRUSA-N 450.968 6.000 50 10 JKGE Cc1cc(Br)c([C@H](Br)C2CC3(CCCC3)C2)cc1Br 1912587069 PUGLKKVFUHCMHZ-OAHLLOKOSA-N 451.040 6.926 50 10 JKGE Cc1c(Br)sc([C@@H](Br)c2ccc(C(F)(F)F)cc2)c1Br 1922882533 HKIYYPRJSFBTGS-JTQLQIEISA-N 492.980 7.085 50 10 JKGE Cc1c(Br)sc([C@@H](Br)Cc2ccc(F)cc2F)c1Br 1922899933 FVHQZRJJCWMLKV-VIFPVBQESA-N 474.990 6.538 50 10 JKGE Clc1c(Br)sc(Br)c1[C@H](Cl)c1ccc2c(c1)CCCC2 1923055563 VOHJNABGLYDZNT-GFCCVEGCSA-N 455.042 7.134 50 10 JKGE C[C@@H](C[C@@H](Cl)c1c(Br)sc(Br)c1Br)CC(C)(C)C 1924591712 TVNJWBMYXYGSRD-JGVFFNPUSA-N 481.519 7.778 50 10 JKGE C[C@H]1C[C@H]([C@@H](Cl)c2c(Br)sc(Br)c2Br)C[C@@H](C)O1 1924612640 CPNRYUJMKSTNTG-JTGULSINSA-N 481.475 6.519 50 10 JKGE Brc1ccc(Br)c([C@@H](Br)c2csnc2Br)c1 1925233443 WUSXRDYVQVQBBE-SECBINFHSA-N 490.840 5.915 50 10 JKGE FC(F)(F)C(F)(F)C[C@H](Br)c1c(Cl)sc(Br)c1Cl 1925561604 QAKANZKHXBWINA-REOHCLBHSA-N 456.883 6.841 50 10 JKGE Cc1csc([C@@H](Cl)c2cc(Br)ccc2Br)c1Br 1950887655 IDDAPUHZOKEXMM-NSHDSACASA-N 459.428 6.672 50 10 JKGE C[C@](CCCC[C@@H]1CCSS1)(NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)O 1951708199 IASGEBOFROMRMR-CRICUBBOSA-N 471.644 6.083 50 10 JKGE Cc1nc([C@@H](Cl)c2cc(Br)c(Br)s2)c(Br)s1 1980604166 DMJTWVBMNLSGTE-LURJTMIESA-N 466.445 6.129 50 10 JKGE CC1(C[C@H](Cl)c2c(Br)sc(Br)c2Br)CCCC1 2003176145 PEDNZTYVOSIIMS-ZETCQYMHSA-N 465.476 7.286 50 10 JKGE IC[C@H]1CCC[C@]2(CN(Cc3ccccc3)C3(CCCCCC3)C2)O1 2038914973 WDCFWGIEGDKKDV-IRLDBZIGSA-N 453.408 5.728 50 10 JKGE Fc1ccc(I)cc1[C@@H](Br)c1cc(Cl)ccc1Cl 2050463125 IIRQPDOIVMASEQ-ZDUSSCGKSA-N 459.911 6.221 50 10 JKGE CC1(C)CN(c2ccc(CBr)c(Br)c2)CCCN1Cc1ccccc1 2073437809 NYBKHZGTDANLLW-UHFFFAOYSA-N 466.261 5.835 50 10 JKGE COc1cc(F)c(Cl)cc1[C@H](Br)c1csc(I)c1 2086231803 WYWJMKIMQFSJGJ-GFCCVEGCSA-N 461.521 5.638 50 10 JKGE CCc1nc(Br)c(Br)n1C[C@H](CBr)c1ccccc1 2087649753 XNPNQULVJDGLNQ-NSHDSACASA-N 451.000 5.149 50 10 JKGE O=C(c1cc(Br)c(Br)s1)N1CC[C@@H]2C[C@H](Br)CC[C@@H]21 2087664736 RHRQHXQABUEUDV-MRTMQBJTSA-N 472.040 5.051 50 10 JKGE C[C@H](Cl)c1nc2cc(I)ccc2n1[C@@]12C[C@H]1CN(Cc1ccccc1)C2 2099677766 CEXQOEGTKDACGL-WDUKFBBWSA-N 477.777 5.172 50 10 JKGE FC1(F)[C@H]2C[C@@H](Oc3c(Br)cc(Br)cc3CBr)C[C@H]21 2107646892 HPHAICWQASUILR-ILWJIGKKSA-N 460.938 5.529 50 10 JKGE C[C@H]1CN(Cc2cc(Cl)ccc2I)CC[C@H]1CCBr 2115843140 KOURWVPUYGFEEY-NWDGAFQWSA-N 456.593 5.188 50 10 JKGE C[C@H]1CCC[C@@](CBr)(Cc2cc(Br)ccc2Br)CC1 2118528484 QKAAXLKRSKUMDF-LRDDRELGSA-N 453.056 6.736 50 10 JKGE C[C@]1(C(F)(F)F)C[C@]1(CBr)Cc1cc(Br)ccc1Br 2118530423 XVSCUSCNTDPYJZ-RYUDHWBXSA-N 464.945 6.108 50 10 JKGE Cc1cc(Cl)c(Br)cc1[C@@H](Br)c1ccc(Cl)cc1Br 2137642492 JPEWMUVTUQXZPZ-AWEZNQCLSA-N 487.844 7.311 50 10 JKGE Brc1ccc([C@H](Br)c2cc3ccccc3s2)c(Br)c1 2138856017 YQDJWZWRKCZUCM-HNNXBMFYSA-N 461.016 6.911 50 10 JKGE Fc1cc2c(cc1Br)nc(CCl)n2[C@@H]1CCOC[C@H]1OCc1ccccc1 2146525431 VDDKGNNZHAGCTF-IEBWSBKVSA-N 453.739 5.224 50 10 JKGE CCCCc1ccc([C@H](Br)c2cccc(Br)c2Br)cc1 2148754212 ZFHSHYIWIPPQTL-INIZCTEOSA-N 461.035 7.039 50 10 JKGE CCCCCC1CCC([C@@H](Br)c2sc(Br)cc2Br)CC1 2168771519 DNGAKPRBEQRAEP-KOHJWAIASA-N 487.139 8.096 50 10 JKGE CCn1cc(Br)c([C@@H](Br)c2cc(Br)c(C)cc2OC)n1 2181175676 MNDNBSLGHZEIEV-ZDUSSCGKSA-N 466.999 5.229 50 10 JKGE C[C@H](NCCSSCCNC(=O)OC(C)(C)C)c1cc2cc(Br)ccc2o1 2181745429 BVSUQFCSDSIMSY-ZDUSSCGKSA-N 475.474 5.752 50 10 JKGE CN(c1ccc(F)c(Cl)c1CBr)[C@@H]1C[C@@H]2C[C@H](OCc3ccccc3)C[C@@H]21 2190552415 AQWTYHCLTZLOFH-NWZZKEMCSA-N 452.795 6.194 50 10 JKGE CC(C)(C)NCc1cc(Br)cc(Br)c1OC[C@H]1C[C@@H]1Br 2196908716 ZISOUDXZZAZKBH-PWSUYJOCSA-N 470.043 5.262 50 10 JKGE Cc1cc(Br)c(C)c([C@H](Br)[C@@H]2C[C@@H]3C[C@H]3C[C@H]2C)c1Br 2201065120 NISMIKWGTIOWHM-HSCNXDHFSA-N 465.067 6.947 50 10 JKGE CCn1cc(Br)c([C@H](Br)c2c(Br)cc(F)c(Cl)c2F)n1 2201618959 MPUGNWJPJSAWAB-SECBINFHSA-N 493.371 5.844 50 10 JKGE CC[C@@H](Br)CN(Cc1ccccc1)S(=O)(=O)Cc1ccsc1Br 2210633123 SGRNHJCSBFHCHU-OAHLLOKOSA-N 481.275 5.016 50 10 JKGE Cc1cc(Br)c([C@H](Br)c2c(Br)cnn2C)c(C)c1Cl 2224301486 AOFPSKJYMSDEJG-NSHDSACASA-N 471.418 5.700 50 10 JKGE Fc1ccc(Cl)cc1[C@@H](Br)c1cc(Br)c(Br)cc1F 2225633876 LZJGYLCJAAZJDL-CYBMUJFWSA-N 475.352 6.628 50 10 JKGE COc1cc([C@H](Br)c2sc(Br)c(C)c2C)ccc1Br 2225845442 BMAYPASLSNXXOW-LBPRGKRZSA-N 469.036 6.383 50 10 JKGE Cc1cc(Br)c([C@H](Br)[C@@H]2C[C@@H]2C(C)(F)F)c(C)c1Br 2227352795 QWDIKGHETPEHSJ-VYUIOLGVSA-N 460.982 6.556 50 10 JKGE Cc1cc(Br)c([C@H](Br)C[C@@H]2C[C@H]2C2CC2)c(C)c1Br 2227359740 LDVPORNKOVTXOA-SGMGOOAPSA-N 451.040 6.701 50 10 JKGE Cc1cc(Br)c([C@H](Br)[C@@H]2[C@H]3CCOC[C@@H]32)c(C)c1Br 2227363104 TXXHQQHUOIMZFQ-ACGQPVHCSA-N 453.012 5.547 50 10 JKGE CC1(C)C[C@H](n2c(CCl)nc3c(F)cc(Br)cc32)[C@@H]1OCc1ccccc1 2232920636 CVXXRXMZQJIVDH-PXNSSMCTSA-N 451.767 6.233 50 10 JKGE Cc1cc(Br)c([C@H](Br)[C@@H]2OC[C@@H]3CCC[C@H]32)c(C)c1Br 2235614232 GIPQLHIZDCCZDZ-KTQGLZRJSA-N 467.039 6.080 50 10 JKGE Cc1cc(Br)c(C)c([C@H](Br)c2c(Cl)c(C)nn2C)c1Br 2240919899 MQZDJUWLGDMKLO-LBPRGKRZSA-N 485.445 6.008 50 10 JKGE Brc1csc([C@@H](Br)c2cc3sc(Br)cc3s2)c1 2252874831 ZOSLUFHTHYTDJH-LLVKDONJSA-N 473.074 7.034 50 10 JKGE COC1([C@@H](Cl)c2c(Br)sc(Br)c2Br)CC(CF)C1 2255037928 PJODUOXYNPZMIW-QHCBANEHSA-N 485.438 6.080 50 10 JKGE COc1ccccc1C[C@H](Br)c1ccc(Cl)c(I)c1 2268323554 QWHLBOQOQKEMRN-LBPRGKRZSA-N 451.529 5.632 50 10 JKGE COc1c([C@@H](Br)C2(Br)CCC2)cc(Br)c2c1CCC2 2269161121 BGIKZDNIODEHSJ-CQSZACIVSA-N 453.012 5.700 50 10 JKGE Brc1cc(Br)cc(C[C@@H](Br)[C@H]2CC23CCCCC3)c1 2277952002 CEGRZYLZNRLINQ-HUUCEWRRSA-N 451.040 6.488 50 10 JKGE CCC[C@H](CC(C)C)[C@H](Br)Cc1cc(Br)cc(Br)c1 2277965856 NZCPNKZWJJWRBL-CZUORRHYSA-N 455.072 6.980 50 10 JKGE Clc1ccc([C@H](Cl)c2cc3sc(Br)cc3s2)c(Br)c1 2278095326 ALUNUCPIMYLCPF-ZDUSSCGKSA-N 457.039 7.469 50 10 JKGE Brc1ccc([C@H](Br)c2ccc3scnc3c2)c(Br)c1 2278611478 QRJSWTFVLVYWGL-CQSZACIVSA-N 462.004 6.306 50 10 JKGE COc1c([C@@H](Br)c2occc2Br)cc(Br)c2c1CCC2 2284592911 FENGMFDZNARHCE-CYBMUJFWSA-N 464.979 5.786 50 10 JKGE FC(F)[C@@H]1CCC[C@@H]1[C@H](Br)c1cc(I)cc2c1OCC2 2285650306 MXWGJIFFGANION-LOWVWBTDSA-N 457.096 5.344 50 10 JKGE Fc1cc(Cl)c([C@@H](Cl)c2cc(Br)c(Cl)cc2F)cc1Br 2285986553 XPXPYIDCHXZKKF-CYBMUJFWSA-N 465.346 7.125 50 10 JKGE Cc1cc([C@@H](Cl)Cc2cc(Br)cc(Br)c2)c(C)cc1Br 2295265589 STJBANAXEKRWPE-INIZCTEOSA-N 481.453 7.114 50 10 JKGE COc1ccc([C@H](Br)Cc2cc(Br)cc(Br)c2)c(Cl)c1 2295266089 YTHSRFMCFZHDQJ-CQSZACIVSA-N 483.425 6.552 50 10 JKGE COc1c(Br)cc(Cl)cc1[C@@H](Cl)c1ccc(I)c(C)c1 2295276959 LHJLFOQPGRUATO-AWEZNQCLSA-N 485.974 6.352 50 10 JKGE COc1ccc(C=C(C#N)C(=O)Nc2cc(Cl)cc(Cl)c2)cc1OCc1ccccc1Cl 2295459607 FNUVLHAOTMQFHA-UHFFFAOYSA-N 487.770 6.780 50 10 JKGE N#CC(=Cc1ccccc1C(F)(F)F)C(=O)Nc1nc2c(s1)CN(Cc1ccccc1)CC2 2296563811 YDTNPFWGDQTJFC-UHFFFAOYSA-N 468.504 5.266 50 10 JKGE Cc1ccc(C(=O)NC(S)=C(C#N)[P+](c2ccccc2)(c2ccccc2)c2ccccc2)cc1 2296647284 HWDMJKTYUWACFL-UHFFFAOYSA-O 479.565 5.341 50 10 JKGE Cc1scc([C@H](Br)c2c(Cl)sc(Cl)c2Cl)c1Br 2303644513 RSZVRNLZEBNKDJ-ZETCQYMHSA-N 455.451 7.325 50 10 JKGE CCOc1cc(C=C(C#N)C(=O)Nc2cccc(C)c2)cc(Cl)c1OCc1ccccc1Cl 2313540997 IQUAAWSBQARSES-UHFFFAOYSA-N 481.379 6.825 50 10 JKGE CCOc1ccc(NC(=O)C(C#N)=Cc2cc(Br)ccc2OCc2cccc(C)c2)cc1 2313670567 GJUBYMDGHDAFQX-UHFFFAOYSA-N 491.385 6.281 50 10 JKGE Brc1ccc(OCc2ccccc2)c([C@@H](Br)C2C[C@@H]3CC[C@H](C2)O3)c1 2314439447 HRCODKDMSXIQGB-NZZOTNDHSA-N 466.213 6.422 50 10 JKGE Brc1ccc(OCc2ccccc2)c([C@H](Br)C[C@H]2CCC23CCC3)c1 2314460011 MOZMHSMCNJRVDY-YLJYHZDGSA-N 464.241 7.435 50 10 JKGE COc1cc(C=C2C(=O)N(C(C)C)C(=O)C(C#N)=C2C)ccc1OCc1ccc(Cl)cc1Cl 2314610363 GNRJXIDVYYKFAB-UHFFFAOYSA-N 485.367 5.582 50 10 JKGE CC1(CC[C@H](Br)c2c(Cl)cc(Br)c(F)c2Br)CC1 2315457686 FSQYFDRGQMOGBI-ZETCQYMHSA-N 463.410 7.020 50 10 JKGE COc1c(Br)cc(C)c([C@@H](Cl)[C@H]2C[C@@H](Br)C2)c1Br 2317400086 RUSPGJZJDNYANA-SXMVTHIZSA-N 461.419 5.982 50 10 JKGE BrC[C@H](Cc1nc(Br)cs1)Cc1ccccc1Br 2320033421 CYGPLYFKGWIRGY-VIFPVBQESA-N 454.025 5.464 50 10 JKGE CCCCCCOc1ccc(C=NNC(=O)c2nc(-c3ccccc3)sc2C)cc1OC 2323752573 UYQPQDHCMHYHBC-UHFFFAOYSA-N 451.592 5.850 50 10 JKGE CCCCc1nc(CC(=O)NN=Cc2cn(CCOc3ccc(Cl)cc3)c3ccccc23)cs1 2325902228 MHZIXUMYWQHCAM-UHFFFAOYSA-N 495.048 5.866 50 10 JKGE CCCCc1ccc(N2C[C@@H](C(O)=C(C#N)c3nc(-c4ccc(OC)cc4)cs3)CC2=O)cc1 2331273604 UBWXEVJFXDPXBJ-FQEVSTJZSA-N 473.598 6.007 50 10 JKGE COCCCN1C(=O)c2ccc(C(O)=C(C#N)c3nc(-c4ccc(C)cc4C)cs3)cc2C1=O 2331308998 LIPASEYBXLQCEM-UHFFFAOYSA-N 473.554 5.009 50 10 JKGE CCc1ccc(OCCCC(O)=C(C#N)c2nc(-c3ccc(OC)cc3OC)cs2)cc1 2331385413 AOZMIHNQJLBJLR-UHFFFAOYSA-N 450.560 6.042 50 10 JKGE CCCCCCOc1ccc(C=C(C#N)c2nc(-c3ccc(Cl)c(Cl)c3)cs2)cc1OC 2331443909 MFDDNVVNWUOMGI-UHFFFAOYSA-N 487.452 8.149 50 10 JKGE C[C@@]1([C@H](Br)c2ccc(OCc3ccccc3)cc2Br)CCCCC1(F)F 2336077075 FECHVUKLNTYEKC-UXHICEINSA-N 488.210 7.680 50 10 JKGE CCN[C@H](c1c(Cl)cc(Br)c(F)c1Br)C1CC(Br)C1 2337108891 KJDRQDFWPXJUIR-RBEJAIPDSA-N 478.425 5.828 50 10 JKGE Cc1cc(Br)c(F)c(Br)c1[C@@H](Br)[C@H]1[C@H]2COCC[C@H]21 2339656548 OWZUTCTULKALSY-IWXIMVSXSA-N 456.975 5.378 50 10 JKGE CCCC1CC([C@H](Br)c2c(C)cc(Br)c(F)c2Br)C1 2339682692 VFUWGOXUBLEONE-ZPPKWKGLSA-N 457.019 6.921 50 10 JKGE Clc1ccc(I)cc1CC1(CBr)CC2(CCOC2)C1 2352369976 KIURTTMYFGREMT-UHFFFAOYSA-N 455.561 5.069 50 10 JKGE Clc1ccc(I)cc1C[C@]1(CBr)CCO[C@H]1C1CC1 2352371273 YCCQIKPXVZIHRK-GJZGRUSLSA-N 455.561 5.067 50 10 JKGE Brc1ccc([C@@H](Br)[C@H]2C[C@@H]3CCCCCC[C@@H]32)c(Br)c1 2358114153 FDSLPCXADPGBGB-MOWSHJCCSA-N 465.067 7.254 50 10 JKGE CCCCCCCCCC[C@H](Br)c1cc(Br)ccc1OCc1ccccc1 2361190248 NDSDCJPEXAQCTJ-QHCPKHFHSA-N 496.327 8.995 50 10 JKGE CS(=O)(=O)C1([C@@H](Cl)c2c(Cl)cc(Br)c(F)c2Br)CCC1 2362239259 LEKKQRRUZYELBM-NSHDSACASA-N 468.997 5.251 50 10 JKGE CC[C@@H]1OCC[C@H]1[C@H](Br)c1c(C)cc(Br)c(OC)c1Br 2365187917 FWVXRLCEPFTYPS-CDMKHQONSA-N 471.027 5.780 50 10 JKGE COc1cc([C@H](Br)c2c(Br)cc(F)c(Cl)c2F)sc1Cl 2365838769 RYWQWJCUPZCGTP-VIFPVBQESA-N 466.956 6.589 50 10 JKGE Cn1nc([C@@H](Br)CCc2cc(Cl)cc(Cl)c2)c(Br)c1Cl 2366899145 QYZLSKLZLKSCKH-JTQLQIEISA-N 461.412 6.212 50 10 JKGE CC(C)(C)OC(=O)NC[C@@](C)(CI)OC[C@@H](c1ccccc1)C1CCCC1 2368371873 NQSXFEXSZLUBHV-SIKLNZKXSA-N 487.422 5.695 50 10 JKGE C[C@@H]1CCC[C@]12[C@H](Cl)C[C@H]2OCc1ccc(I)c(Br)c1 2377592656 BSILJKHEJSNSLJ-HMTTWLPMSA-N 469.588 5.756 50 10 JKGE Clc1ccc(I)cc1CC1(CBr)CC2(CCCCC2)C1 2380516670 FLBPIVUKDBILLV-UHFFFAOYSA-N 467.616 6.613 50 10 JKGE O=C(CCCOc1ccc(Cl)cc1Cl)NNC(=O)c1ccc(OCc2ccccc2)cc1 14027871 MHGKADBAGATTGU-UHFFFAOYSA-N 473.356 5.193 50 10 JKGE CCCCCCOc1ccc(C(=O)NC(=S)NNC(=O)c2ccc(-c3ccccc3)cc2)cc1 14029071 HJQFHSYVCCRRPT-UHFFFAOYSA-N 475.614 5.262 50 10 JKGE CCCCCCOc1ccc(C(=O)NC(=S)NNC(=O)c2sc3ccccc3c2Cl)cc1 14029105 MSGMWMKTQBDDLW-UHFFFAOYSA-N 490.050 5.463 50 10 JKGE CC[C@H](C)c1ccccc1OCC(=O)NNC(=O)c1ccc(OCCC(C)C)c(Br)c1 14645586 ORYGBNWCBWSEOT-KRWDZBQOSA-N 491.426 5.228 50 10 JKGE CCOC(=O)/C(C#N)=C\c1cn(-c2ccccc2)nc1-c1cccc(OCc2ccccc2Cl)c1 35446025 RAIBMPHOVAOBHQ-JCMHNJIXSA-N 483.955 6.242 50 10 JKGE COc1cccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)COc4ccc(C(C)C)cc4)ccc32)c1 38650230 FXIYTCGGKRJGPV-MHZLTWQESA-N 470.525 5.021 50 10 JKGE N#CC1=C(N)Oc2cc(OC(=O)Cc3ccccc3)ccc2[C@H]1c1ccc(OCc2ccccc2)cc1 38650945 YVRFKUDFZWJYNH-SSEXGKCCSA-N 488.543 5.632 50 10 JKGE C[C@@H](Oc1ccccc1F)C(=O)Oc1ccc2c(c1)OC(N)=C(C#N)[C@H]2c1c(F)cccc1Cl 38680433 BFNUHGNNUKOOTC-DMZKTXOQSA-N 482.870 5.209 50 10 JKGE COC(=O)c1ccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4ccc(Cl)cc4Cl)ccc32)cc1 38683378 FBFVTKANHZQESH-JOCHJYFZSA-N 495.318 5.217 50 10 JKGE CCc1ccc(Oc2nc3ccccn3c(=O)c2/C=C(/C#N)C(=O)Nc2ccc(Cl)cc2)cc1 39858637 AZYIOYIZJPGDIF-SDXDJHTJSA-N 470.916 5.248 50 10 JKGE CCOc1cc(/C=C2/C(=O)N(C3CCCC3)C(=O)C(C#N)=C2C)ccc1OCc1ccc(Cl)cc1 40514582 PHWJQLIUHHZXIM-OEAKJJBVSA-N 490.987 5.853 50 10 JKGE Cc1c(C(=O)N(C)Cc2ccccc2)oc2c1/C(=N/NC(=O)c1ccc(Cl)cc1Cl)CCC2 40813739 KAMUQNIACFSMAJ-VFCFBJKWSA-N 484.383 5.637 50 10 JKGE Cc1occc1C(=O)N/N=C1\CCCc2oc(C(=O)Nc3cc(Cl)cc(Cl)c3)c(C)c21 40823429 ZNCBQRIHUWULGW-YZSQISJMSA-N 460.317 5.519 50 10 JKGE Cc1cc(C)cc(NC(=O)c2oc3c(c2C)/C(=N/NC(=O)Cc2coc4c(C)c(C)ccc24)CCC3)c1 40826622 HMNFKNAALOAZKR-FEZSWGLMSA-N 497.595 6.220 50 10 JKGE COc1cc(/C=N/NC(=O)COc2ccccc2C(C)C)ccc1OCc1ccccc1Cl 40911108 LDDHETNQGJVPEJ-RWPZCVJISA-N 466.965 5.580 50 10 JKGE N#C/C(=C/c1cc(Cl)ccc1OCc1cccc(Cl)c1)C(=O)Nc1cccc(Cl)c1 59117040 QDJIJPSAFGTTRI-YVLHZVERSA-N 457.744 6.771 50 10 JKGE CCOc1cc(/C=C(/C#N)C(=O)Nc2ccccc2CC)ccc1OCc1ccc(Cl)c(Cl)c1 59281779 VGJGPYDZWRAFMC-BKUYFWCQSA-N 495.406 7.079 50 10 JKGE CCCOc1ccc(/C=C\C(=O)Oc2ccc(/C=C(/C#N)C(=O)NCc3ccccc3)cc2OC)cc1 98027924 FBFGPIDXCXPPET-MVBYXHOVSA-N 496.563 5.326 50 10 JKGE Cl[C@@H](c1cc2c(cc1Br)OCCO2)c1ccccc1I 109821873 SOBPLYZZAMJEQV-OAHLLOKOSA-N 465.512 5.153 50 10 JKGE Brc1cc([C@@H](Br)c2ccc3ccccc3c2)c(Br)s1 109870035 MCDLJQVTOOLHSC-AWEZNQCLSA-N 461.016 6.911 50 10 JKGE COc1c(C)cc(Br)c(C)c1[C@@H](Br)c1sccc1Br 125732387 VRVYSLRCNVVSHR-GFCCVEGCSA-N 469.036 6.383 50 10 JKGE CCOc1cc(Cl)c([C@@H](Br)c2ccc(Br)c(Cl)c2)cc1Cl 164581645 HTPFTMLFGRZOOE-HNNXBMFYSA-N 473.419 7.292 50 10 JKGE CCOc1cc(/C=C2\C(=O)N(C3CCCC3)C(=O)C(C#N)=C2C)ccc1OCc1ccc(C)cc1 214361877 SDCXPHWARBBYLO-IWIPYMOSSA-N 470.569 5.508 50 10 JKGE COc1cc(Br)ccc1[C@@H](Br)c1cc(Br)cc2c1OCC2 228441771 CKRZJSAXZVQAKD-OAHLLOKOSA-N 476.990 5.639 50 10 JKGE CCn1c2ccccc2c2cc(C=NNC(=O)[C@@H]3CC3(c3ccccc3)c3ccccc3)ccc21 252462562 UFGNBYDDHAVPGF-MHZLTWQESA-N 457.577 6.271 50 10 JKGE CC(C)SCCC(CBr)(CBr)c1ccccc1Br 310695478 ZMVOAOYDMOWGNN-UHFFFAOYSA-N 459.085 6.008 50 10 JKGE C[C@H]1CN(Cc2ccccc2)CCN(c2ccc(Br)cc2CBr)C1 323480479 OXGVZYPNOAVAJX-INIZCTEOSA-N 452.234 5.302 50 10 JKGE C[C@@H]1C[C@@H](n2c(CCl)nc3cc(F)c(Br)cc32)CCN1Cc1ccccc1 379605928 JFSYYPQGLFAUAP-ZBFHGGJFSA-N 450.783 5.902 50 10 JKGE Fc1ccc([C@@H](Cl)c2cc(I)cc3c2OCC3)cc1Br 380008459 RARDCYBJOHENAP-CQSZACIVSA-N 467.503 5.456 50 10 JKGE C[C@H](Br)CC(C)(C)CNC(=O)c1cc(Br)ccc1Br 393558189 ZIOLWDUONLCUON-VIFPVBQESA-N 456.016 5.141 50 10 JKGE CC1(C)C[C@@H](Br)CCN(C(=O)c2ccc(Br)cc2Br)C1 395320552 ADPALNNXVIXDSJ-NSHDSACASA-N 468.027 5.237 50 10 JKGE CC(C)(C)[Si](C)(C)OCCN1CCN[C@H](c2ccccc2CO[Si](C)(C)C(C)(C)C)C1 616602551 LNAHFZHIDFBRKG-QHCPKHFHSA-N 464.843 6.177 50 10 JKGE Fc1cc(Br)c(Cl)cc1[C@@H](Br)Cc1ccccc1Br 692441687 STTVEXOBPPCQRA-NSHDSACASA-N 471.389 6.683 50 10 JKGE CC1(C)C[C@H](Br)C[C@@H](NC(=O)c2cc(Br)cc(Br)c2)C1 693900789 ZGWPBPQAWFSWPJ-CHWSQXEVSA-N 468.027 5.284 50 10 JKGE Brc1cc2c(cc1[C@@H](Br)c1ccsc1Br)OCCO2 698575840 MZBLTWHEADAMOI-LBPRGKRZSA-N 468.992 5.529 50 10 JKGE C[C@@]12CN(Cc3ccccc3)C[C@@H]1CN(c1ccc(Br)cc1CBr)C2 702091399 YUMBCRBQSHTGEL-NQIIRXRSSA-N 464.245 5.302 50 10 JKGE O=C(NC[C@@H]1CCCC[C@H]1CBr)c1scc(Br)c1Br 707805696 IGDLMRJXNSDLLG-IUCAKERBSA-N 474.056 5.204 50 10 JKGE Cc1sc([C@@H](Cl)c2ccc(F)cc2I)c(C)c1Br 724986089 WEKNLABWBWSOEU-LBPRGKRZSA-N 459.549 6.199 50 10 JKGE C=CCc1cc(C=NNC(=O)c2cc3ccccc3o2)ccc1OCc1ccc2ccccc2c1 1084171313 QMEZGALTRVXAMH-UHFFFAOYSA-N 460.533 6.657 50 10 JKGE C=CCn1c(C)c(C=NNC(=O)c2ccc(-n3c(C)ccc3-c3ccccc3)cc2)c2ccccc21 1084449887 QZIVDKWBMBMHRR-UHFFFAOYSA-N 472.592 6.666 50 10 JKGE CC(C)(C)OC(=O)N1C[C@H](c2cc(C(F)(F)F)ccc2F)[C@@H](CI)C1 1614690817 GRDBUDXQSOHIIG-GWCFXTLKSA-N 473.248 5.230 50 10 JKGE COc1ccc(/C(C#N)=C/c2cccc(OC(=O)C(c3ccccc3)c3ccccc3)c2)cc1OC 1615067217 IKHPRHMZKAVKPO-NLRVBDNBSA-N 475.544 6.505 50 10 JKGE COc1cccc(C(=O)NN=C2CCCc3oc(C(=O)Oc4cc(C)ccc4C(C)C)c(C)c32)c1 1772747946 TUZASZXYFSUORA-UHFFFAOYSA-N 474.557 5.718 50 10 JKGE CCOc1cccc([C@H]2C(C#N)=C(N)Oc3c2c(-c2ccccc2)nn3Cc2cccc(F)c2)c1 1865690068 IARUANACOLXTPT-DEOSSOPVSA-N 466.516 5.354 50 10 JKGE CCCc1nn(CCC)c2c1[C@@H](c1ccc(OCc3ccc(Cl)cc3)c(OC)c1)C(C#N)=C(N)O2 1865701530 XOHPQKVNQRDEAD-DEOSSOPVSA-N 493.007 5.705 50 10 JKGE COc1ccc([C@H]2C(C#N)=C(N)Oc3c2c(C(F)(F)F)nn3-c2cccc3ccccc23)c(OC)c1 1865707872 IHPPIMLBJLZPLA-NRFANRHFSA-N 492.457 5.280 50 10 JKGE N#CC1=C(N)Oc2c(c(-c3ccccc3)nn2-c2ccc(Br)cc2)[C@@H]1c1ccccc1O 1865708485 XWNPFOXDQVYQJQ-OAQYLSRUSA-N 485.341 5.226 50 10 JKGE Cc1nc(-c2ccc(Cl)cc2Cl)ccc1C(=O)N/N=C\c1cccc(Cl)c1Cl 1865760817 QASOIYGAFIDNBA-MRUKODCESA-N 453.156 6.435 50 10 JKGE COC(=O)c1c(NC(=O)/C(C#N)=C/c2ccc(Br)cc2)sc(C)c1-c1ccc(C)cc1 1866129076 AYPIDDRYZURESU-LDADJPATSA-N 495.398 6.127 50 10 JKGE Cc1nn(Cc2ccccc2)c2c1[C@H](NC(=O)/C(C#N)=C/c1cccc(Br)c1)CCC2 1866130895 RLOQUGWKNCAVQD-WVWKGNOCSA-N 475.390 5.103 50 10 JKGE N#CSc1ccc(NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](c2ccc(Cl)cc2)C2CC2)cc1 1867002465 ZZIOGXZCAGYTQK-DQEYMECFSA-N 490.028 5.773 50 10 JKGE COCCc1nc(Nc2ccc(SC#N)cc2)cc(N2C[C@H](c3ccccc3)Cc3ccccc32)n1 1868253876 WWLHCVOYOFGEPE-HSZRJFAPSA-N 493.636 6.460 50 10 JKGE Cc1ccc(C)c2c1C[C@@H](C)CN2c1cc(Nc2ccc(SC#N)cc2)nc(-c2ccccc2)n1 1868364968 JTBNZMWSWJOGJG-LJQANCHMSA-N 477.637 7.408 50 10 JKGE CCCc1nc(Nc2ccc(SC#N)cc2)cc(N2CCC[C@@H]2C(=O)c2ccc(OC)c(C)c2)n1 1868388608 MAOCLNZORQLUQC-JOCHJYFZSA-N 487.629 5.915 50 10 JKGE C[C@H]1c2[nH]cnc2CCN1c1cc(Nc2ccc(SC#N)cc2)nc(-c2ccccc2Cl)n1 1868413604 BTWMJOUMNOHFPP-HNNXBMFYSA-N 473.993 5.961 50 10 JKGE N#CSc1ccc(Nc2cc(N3CC[C@H](c4ccco4)C3)nc(-c3ccccc3Cl)n2)cc1 1868414265 LACMWHAIKIANLK-KRWDZBQOSA-N 473.989 6.701 50 10 JKGE COc1ccc(-c2csc(/C(C#N)=C(\O)c3ccc4c(c3)C(=O)N(C3CCCCC3)C4=O)n2)cc1C 1872744715 FMKOMYUFLRRTAC-LVWGJNHUSA-N 499.592 6.006 50 10 JKGE C[C@@H](/C(O)=C(\C#N)c1nc(-c2ccc3c(c2)CCCC3)cs1)N1C(=O)c2ccccc2C1=O 1872745321 HOPVEPNETDHDDY-MBSKJGAKSA-N 455.539 5.166 50 10 JKGE COc1ccc(-c2csc(/C(C#N)=C(\O)COc3cc(C)c(Cl)c(C)c3)n2)c(C)c1C 1872753613 GGEOAAYSQFNHJX-VZCXRCSSSA-N 454.979 6.577 50 10 JKGE COc1ccc(OC)c(/C=C/C(O)=C(\C#N)c2nc(-c3cc(Cl)cc(Cl)c3OC)cs2)c1 1872754383 QEDFJXHGMBEUDL-WEVSROCNSA-N 489.380 6.649 50 10 JKGE COc1cc(OC)c(-c2csc(/C(C#N)=C(\O)c3ccc(Cl)cc3[N+](=O)[O-])n2)cc1Cl 1872756576 QJCCUBWNGYZBOL-UYRXBGFRSA-N 478.313 5.992 50 10 JKGE COc1cc(-c2csc(/C(C#N)=C(\O)[C@H](C)Oc3ccccc3C(C)C)n2)c(OC)cc1Cl 1872756712 WUVFFOAREGJREN-BHQWEUPHSA-N 485.005 6.864 50 10 JKGE CCCCCOc1ccc(/C=C(\C#N)c2nc(-c3ccc(-c4ccccc4)cc3)cs2)cc1OCC 1872782283 AXBMTYHOXCLBFS-ZXVVBBHZSA-N 494.660 8.509 50 10 JKGE COc1ccc(C(C)(C)C)cc1-c1csc(/C(C#N)=C/c2cccc(Br)c2)n1 1872791865 VBEPOTUEVIVOPQ-MHWRWJLKSA-N 453.405 6.943 50 10 JKGE CCCN[C@H](c1c(Br)sc(Br)c1Cl)[C@@H]1C[C@H]1Br 1910129829 XXRQNXNBUNKPMB-KCRUCZTKSA-N 466.464 5.751 50 10 JKGE Fc1ccc(C(F)(F)F)cc1[C@@H](Br)c1sc(Br)cc1Br 1922891988 PEORBCUEYDESJE-SNVBAGLBSA-N 496.943 6.915 50 10 JKGE Cc1c(Br)sc([C@@H](Br)c2ccccc2CC(C)C)c1Br 1922930569 TXXUGKLURUDNNL-AWEZNQCLSA-N 481.091 7.264 50 10 JKGE Clc1c(Br)sc(Br)c1[C@@H](Cl)Cc1cccc(Br)c1 1923038939 LSJWHZROGDJZFN-QMMMGPOBSA-N 493.873 7.212 50 10 JKGE Clc1c(Br)sc(Br)c1[C@@H](Cl)[C@@H]1COc2ccccc2O1 1923050332 SWFKGSLQIFCDQF-WPRPVWTQSA-N 458.986 6.046 50 10 JKGE O=C(Nc1ccc(F)c(CBr)c1)c1scc(Br)c1Br 1924902705 PVRJJYUQLUODAZ-UHFFFAOYSA-N 471.971 5.559 50 10 JKGE CC1(C)CC[C@]2(CCC[C@@H](CI)O2)[C@H](CNC(=O)OC(C)(C)C)C1 1927123662 YHAWPFFCFCHMKE-YZVOILCLSA-N 451.389 5.080 50 10 JKGE CC(C)C(CBr)(CBr)Cc1ccc(Br)cc1Br 1943851792 TUDGABYNLDAOFO-UHFFFAOYSA-N 491.887 6.186 50 10 JKGE Cn1ncc([C@H](Cl)c2cc(C3CC3)c(Br)s2)c1I 2033631569 GFASMVUICQKHFC-JTQLQIEISA-N 457.562 5.054 50 10 JKGE Cc1cc(C)c([C@H](Br)c2cc(Br)cs2)c(C)c1Br 2052437648 QHAFLVCTWOWOJY-CQSZACIVSA-N 453.037 6.683 50 10 JKGE COc1ccc(Br)cc1[C@@H](Cl)Cc1ccccc1I 2087564000 MNLVGIYCZYTQIH-ZDUSSCGKSA-N 451.529 5.585 50 10 JKGE Cc1cc(Br)c([C@@H](Br)C[C@@H]2CCCOCC2)cc1Br 2089238393 YNKCVXQDFFZITO-ABAIWWIYSA-N 455.028 6.163 50 10 JKGE BrCc1cc(Br)cc(Br)c1OCC1C[C@@H]2CC[C@H]2C1 2132517275 XLGMEJMLYOXEGG-QWRGUYRKSA-N 453.012 5.922 50 10 JKGE COc1ccc([C@H](Br)c2ccccc2OCc2ccccc2)c(Cl)c1Cl 2138627158 FOZWZGHDRVEZMA-LJQANCHMSA-N 452.175 7.065 50 10 JKGE Cc1c(Br)ccc([C@@H](Br)[C@@H]2CCCCC23CC3)c1Br 2138875746 IUYHJJLJUVBKJH-SWLSCSKDSA-N 451.040 6.926 50 10 JKGE Cc1cc(Br)sc1[C@H](Br)c1ccc2cc(Br)ccc2c1 2156076925 WMWSYWCEKJEZEV-OAHLLOKOSA-N 475.043 7.219 50 10 JKGE Clc1sc(Br)c(Cl)c1[C@H](Br)[C@@H]1C[C@H]2CCCCCC[C@H]21 2166122090 GPVTVZQAZXBTNB-DNRKLUKYSA-N 461.090 7.860 50 10 JKGE C[C@@H]1C[C@H](n2c(CCl)nc3c(Br)cc(F)cc32)CN(Cc2ccccc2)C1 2184260737 OIWBXCOOCGHNHV-PBHICJAKSA-N 450.783 5.760 50 10 JKGE CCc1nn(C)c([C@@H](Br)c2ccc(OC)cc2Br)c1Br 2192384578 INMHYSFUGHXHOT-LBPRGKRZSA-N 466.999 5.000 50 10 JKGE C[C@]1(CC(CBr)(CBr)c2cccc(Br)c2)CSCCO1 2201228206 PJBXLGJJYIDLEA-AWEZNQCLSA-N 487.095 5.389 50 10 JKGE Cc1c(Br)ccc([C@@H](Br)c2ccc3c(c2)CCO3)c1Br 2203689671 ZIJLIRGPUXZXTP-INIZCTEOSA-N 460.991 5.939 50 10 JKGE CCC12COC(COc3c(Br)cc(Br)cc3CBr)(C1)C2 2205260405 RSUOICYZUXSVQU-UHFFFAOYSA-N 469.011 5.445 50 10 JKGE Fc1cc(Br)c2nc(CCl)n(C[C@H]3CC3(Br)Br)c2c1 2224799898 BOXOEGKBEWCLBJ-ZCFIWIBFSA-N 475.381 5.183 50 10 JKGE BrCCC[C@H]1CCCN(Cc2ccc(Br)cc2Br)C1 2225815165 QSRIYDWXJYCMAU-LBPRGKRZSA-N 454.044 5.599 50 10 JKGE Cl[C@@H](c1cc(Br)c(Br)s1)c1ccc2c(c1Br)CCO2 2229734823 WPONZCOILRGJPA-GFCCVEGCSA-N 487.438 6.299 50 10 JKGE Fc1cc(Cl)c([C@H](Br)c2cc(Br)c(Br)cc2F)cc1F 2233974097 CXFYDVSBWZNVFQ-ZDUSSCGKSA-N 493.342 6.767 50 10 JKGE CC1(C)CCC[C@H]([C@H](Br)c2cc(I)cc3c2OCC3)O1 2235155149 HCMKVESRKSWDKI-ZIAGYGMSSA-N 451.142 5.010 50 10 JKGE Fc1ccc([C@H](Br)c2ccc([C@H]3CCOC3)s2)c(I)c1 2240425741 BZXOKYZQPPSULE-VFZGTOFNSA-N 467.141 5.480 50 10 JKGE Clc1cc(CN2[C@H](CBr)C[C@H]3CCCC[C@@H]32)ccc1I 2240675372 VZYRBRRMUWCAGG-WWGRRREGSA-N 468.604 5.473 50 10 JKGE CCCC[C@H](CC)[C@@H](Br)c1c(F)cc(Br)c(F)c1Br 2272738634 IFKFYGLZZTWVOQ-QPUJVOFHSA-N 462.998 7.142 50 10 JKGE CC(C)(CC(F)F)[C@@H](Br)c1c(F)cc(Br)c(F)c1Br 2272748023 QGJQAYNNIMYJDT-NSHDSACASA-N 470.924 6.607 50 10 JKGE Cc1cc(C(F)(F)F)sc1[C@@H](Br)c1cc(Cl)c(Br)s1 2277877989 GOBDMFXQEQJAHI-QMMMGPOBSA-N 454.558 7.037 50 10 JKGE Clc1cc(Br)ccc1[C@@H](Cl)Cc1cc(Br)cc(Br)c1 2277962008 AZYCTJRIKLOKCF-ZDUSSCGKSA-N 487.844 7.150 50 10 JKGE Fc1cc(Br)c(F)c(Br)c1[C@H](Br)[C@@]12COC[C@@H]1C2(F)F 2288480182 GLJCORIEMDACCV-NRZXQICZSA-N 482.891 5.208 50 10 JKGE CC(F)(F)c1ncc([C@H](Br)Cc2cc(Br)cc(Br)c2)s1 2295333157 GUFPRKBMDXZUIL-SNVBAGLBSA-N 490.005 6.459 50 10 JKGE CC(C)c1ccccc1NC=C(C#N)c1nc(-c2cc3c(ccc4ccccc43)oc2=O)cs1 2295887837 IZTPGYGCGHKTTD-UHFFFAOYSA-N 463.562 7.170 50 10 JKGE COc1cccc(C[C@@H]2SC(=C(C#N)C(=O)Nc3ccc(C)cc3)N(c3ccccc3C)C2=O)c1 2296056348 GGBHRDMAZDDSCR-VWLOTQADSA-N 483.593 5.377 50 10 JKGE Cc1ccc(NC=C(C#N)c2nc(-c3cc4cc(Br)ccc4oc3=O)cs2)cc1F 2296790055 LFMVLTARPOELNG-UHFFFAOYSA-N 482.334 6.103 50 10 JKGE N#CC(=Cc1ccc(-c2ccc(Cl)cc2Cl)o1)C(=O)Nc1ccc([N+](=O)[O-])cc1Cl 2296818191 XSMUKRHWCAHCNZ-UHFFFAOYSA-N 462.676 6.361 50 10 JKGE COc1ccc(C=C(C#N)C(=O)Nc2cccc(SC(F)(F)C(F)(F)C(F)(F)F)c2)cc1 2297449053 SSBMZHPSHDOZBN-UHFFFAOYSA-N 478.389 6.123 50 10 JKGE Brc1cc(OCc2ccccc2)ccc1[C@H](Br)[C@@H]1C[C@@H]2CC[C@H]1O2 2299489303 NTGDTIRBHURDRG-ZSXHRAQDSA-N 452.186 6.032 50 10 JKGE C[C@H](C[C@H](Br)c1cc(Br)ccc1OCc1ccccc1)C(F)(F)F 2299500886 JKUVBSRBCFXSAN-WBMJQRKESA-N 466.135 7.053 50 10 JKGE Cc1ccc(NC(=O)C(C#N)=Cc2ccc(OCc3ccc(C(=O)O)cc3)c(Br)c2)cc1 2313567852 MKAOZLAXQKRZPB-UHFFFAOYSA-N 491.341 5.580 50 10 JKGE CCOc1cc(C=C(C#N)C(=O)Nc2cccc(Cl)c2Cl)cc(Cl)c1OCC(=O)O 2313571028 LSIRIEWDQWHTDP-UHFFFAOYSA-N 469.708 5.055 50 10 JKGE COCC1([C@H](Br)c2ccc(OCc3ccccc3)cc2Br)CCCC1 2314439992 LPJRMBRFMBSDHQ-HXUWFJFHSA-N 468.229 6.671 50 10 JKGE CC[C@@H](C[C@H](Br)c1ccc(OCc2ccccc2)cc1Br)C(C)(C)C 2314453872 ACOMMQDMQWVRFJ-PXNSSMCTSA-N 468.273 7.927 50 10 JKGE COc1cc(C=C(C#N)c2ccccc2)ccc1OC(=O)[C@@H](CC(C)C)N1C(=O)c2ccccc2C1=O 2314720297 MAFUBNZNYBIMSE-RUZDIDTESA-N 494.547 5.376 50 10 JKGE Brc1cc([C@@H](Br)[C@@H]2C[C@H]3CCC[C@H]2CC3)sc1Br 2316784475 BGYATLMSYANMAG-XHSYRHOGSA-N 457.069 6.926 50 10 JKGE COc1ccc(C(C#N)=Cc2ccc(OC(=O)C=Cc3ccc(Cl)cc3)c(OC)c2)cc1OC 2320506822 SFBKPDLEMYXLCG-UHFFFAOYSA-N 475.928 6.049 50 10 JKGE COc1cccc(-c2ccc(C(=O)NN=Cc3ccc(OCc4ccccc4)c(OC)c3)c(C)n2)c1 2321239503 YQLCQKUXAVHMPJ-UHFFFAOYSA-N 481.552 5.417 50 10 JKGE Cc1cc(C)cc(NC=C(C#N)C(=O)N2CCN(C(c3ccccc3)c3ccccc3)CC2)c1 2324608467 VUVXFQFWTWBEJT-UHFFFAOYSA-N 450.586 5.057 50 10 JKGE O=C(NN=C1C(=O)N(Cc2ccccc2Cl)c2ccccc21)c1ccc(OCc2ccccc2)cc1 2326841438 ADSQLCBKBNTBBW-UHFFFAOYSA-N 495.966 5.600 50 10 JKGE CCCCCCCCCOc1ccc(C=C(C#N)S(=O)(=O)c2ccc(Cl)cc2)cc1OCC 2331030526 BEEGBQDPAHULLZ-UHFFFAOYSA-N 490.065 7.206 50 10 JKGE CCOc1cc(C=C(C#N)c2ccc(C(=O)OC(C)C)o2)ccc1OCc1ccccc1Cl 2331049760 QCBPZIBSRQFMQS-UHFFFAOYSA-N 465.933 6.540 50 10 JKGE CCOc1cc(C=C(C#N)c2ncccc2[N+](=O)[O-])ccc1OCc1ccc(Br)cc1 2331059488 HCZBHVNDOJJXDZ-UHFFFAOYSA-N 480.318 5.794 50 10 JKGE Cc1ccc(C)c(OCC(O)=C(C#N)c2nc(-c3ccc(-c4ccccc4)cc3)cs2)c1C 2331231913 AZAJGACRFDBCKA-UHFFFAOYSA-N 452.579 7.274 50 10 JKGE N#CC(=C(O)c1ccc2c(c1)C(=O)N(Cc1ccco1)C2=O)c1nc(-c2cccs2)cs1 2331327462 JKDQWZXLPQHNTQ-UHFFFAOYSA-N 459.508 5.211 50 10 JKGE CC[C@H](C)N1C(=O)c2ccc(C(O)=C(C#N)c3nc(-c4cccc5ccccc45)cs3)cc2C1=O 2331339040 AUVQXVNZRDPARC-INIZCTEOSA-N 479.561 6.308 50 10 JKGE Cc1cc(C)c(-c2csc(C(C#N)=C(O)CN3C(=O)COc4ccc(Cl)cc43)n2)c(C)c1 2331394470 LMKFJLUEQQSWNP-UHFFFAOYSA-N 465.962 5.607 50 10 JKGE Brc1ccc(OCc2ccccc2)c([C@@H](Br)c2ccc3sccc3c2)c1 2336050696 MHWSGAVLLITQCP-QFIPXVFZSA-N 488.244 7.727 50 10 JKGE FC1(F)[C@H]([C@@H](Br)c2cc(Br)ccc2OCc2ccccc2)C12CCCC2 2336053110 GZMZGBRANXGYQY-RBUKOAKNSA-N 486.194 7.290 50 10 JKGE CC1(C)CC2(CC([C@@H](Br)c3ccc(OCc4ccccc4)cc3Br)C2)C1 2336077046 DXTLPKOZRHNEMC-OAQYLSRUSA-N 478.268 7.681 50 10 JKGE Cc1cc(Br)c(F)c(Br)c1[C@H](Br)C1CC(C2CC2)C1 2339652180 WUVFVMMOIQJUCS-SRHKJQAYSA-N 455.003 6.531 50 10 JKGE CO[C@]1(C(F)F)C[C@H]([C@H](Br)c2sc(Br)c(C)c2Br)C1 2343018158 YLGIAZWZZHGBIB-DCUMQYTISA-N 483.010 6.078 50 10 JKGE Cl[C@@H](CCc1ccc(I)c(Br)c1)CC1CCCCC1 2349832479 DCRRHEJSNKMYII-AWEZNQCLSA-N 455.605 6.564 50 10 JKGE FCCOc1ccc([C@H](Br)c2cc(Br)ccc2OCc2ccccc2)cc1 2361199272 XVNZIYMNTNDWOP-QFIPXVFZSA-N 494.198 6.861 50 10 JKGE CCO[C@@H]1CC[C@@H]([C@H](Br)c2c(Cl)cc(Br)c(F)c2Br)C1 2362235577 MWANPZPBUKZPBS-RWYTXXIDSA-N 493.436 6.645 50 10 JKGE Cc1cc(C)c(C)c([C@H](Br)c2c(Br)c(Br)nn2C)c1C 2364228607 OPVLGPWKLKSYSX-LBPRGKRZSA-N 465.027 5.663 50 10 JKGE O=[N+]([O-])c1ccc(C[C@H](Br)c2ccc(Cl)cc2I)cc1 2365589013 QCDHUBNIUMFXRV-ZDUSSCGKSA-N 466.500 5.532 50 10 JKGE CC1(C)CC[C@H](CO[C@@](C)(CI)c2ccccc2Br)C1 2367332867 YSEMGKWOTDTQKU-GUYCJALGSA-N 451.186 5.942 50 10 JKGE Cc1cc(Br)c(C(C)C)cc1[C@H](Br)c1ccc(OCc2ccccc2)cc1 2380941763 JWWIDOLBQNOZBE-XMMPIXPASA-N 488.263 7.944 50 10 JKGE CCc1cc(Br)c(OC)c([C@H](Br)c2cnn(C)c2Br)c1 2381256138 MUJBKHBLFGMITP-LBPRGKRZSA-N 466.999 5.000 50 10 JKGE O=C(NC1CCCCC1)[C@@H](c1ccc(Cl)cc1)N(C(=O)CCl)c1ccc(Cl)cc1 3035259 WFEPVDNQHIIAEX-OAQYLSRUSA-N 453.797 5.755 50 10 JKGE CCc1ccc([C@@H]2C(C#N)=C(N)N(c3cc(C(F)(F)F)ccc3Cl)C3=C2C(=O)CCC3)s1 6284102 UFSUYHNQWCYTJM-FQEVSTJZSA-N 477.939 6.287 50 10 JKGE CC[C@H](Oc1ccccc1[C@H](C)CC)C(=O)NNC(=O)CCCOc1ccc(Cl)cc1Cl 10683333 ZMYMODRCPJGJBZ-UZLBHIALSA-N 481.420 5.671 50 10 JKGE CCCCCCOc1ccc(C(=O)NNC(=O)[C@H](C)Oc2ccc(Cl)cc2Cl)cc1 14025436 ZRRXMYXRFGEOBN-HNNXBMFYSA-N 453.366 5.181 50 10 JKGE CCCCCCOc1ccccc1C(=O)NNC(=O)CCCOc1ccc(Cl)cc1Cl 14032661 UTBFVNNFOREEQD-UHFFFAOYSA-N 467.393 5.573 50 10 JKGE C[C@H](Oc1ccc(-c2ccccc2)cc1)C(=O)NNC(=O)c1ccc(OCc2ccccc2)cc1 14038817 QOSHLEGUVZVBIQ-NRFANRHFSA-N 466.537 5.161 50 10 JKGE O=C(/C=C/c1ccc(-c2cccc([N+](=O)[O-])c2)o1)NNC(=O)c1ccc(-c2ccc(Cl)cc2)o1 26771279 GCSCRJATHYEKDK-UKTHLTGXSA-N 477.860 5.243 50 10 JKGE O=C(Nc1ccccc1O)c1ccccc1SSc1ccccc1C(=O)Nc1ccccc1O 32016713 DAGLHPNDIGVKFI-UHFFFAOYSA-N 488.590 6.402 50 10 JKGE Cc1ccc(CN(C(=O)CCl)[C@H](C(=O)N[C@@H]2CCCC[C@H]2C)c2ccccc2Cl)cc1 33404639 BQIIKOUUNUOSTL-XANCMCCPSA-N 461.433 5.652 50 10 JKGE CCCN(CCC(=O)Nc1nnc(-c2ccc(Cl)cc2)s1)C(=O)[C@@H](Cl)c1ccccc1 35700853 IVTVANVQRVYQRV-IBGZPJMESA-N 477.417 5.406 50 10 JKGE COc1cccc(C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@H]3c2ccc(C(C)(C)C)cc2)c1 38649700 HSRPNCQQIONZKB-VWLOTQADSA-N 454.526 5.430 50 10 JKGE COc1ccc(C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@@H]3c2ccc(Cl)cc2Cl)cc1 38655133 HBMUDENKTCMJKQ-JOCHJYFZSA-N 467.308 5.439 50 10 JKGE Cc1cccc(C(=O)N/N=C2\CCCc3oc(C(=O)Nc4ccc(Cl)c(Cl)c4)c(C)c32)c1 40811342 XFNJJJVZAHFUFD-TURZUDJPSA-N 470.356 5.926 50 10 JKGE Cc1c(C(=O)Nc2cc(Cl)cc(Cl)c2)oc2c1/C(=N/NC(=O)c1ccccc1F)CCC2 40812366 MXGQCIHITYATKL-MTDXEUNCSA-N 474.319 5.757 50 10 JKGE Cc1c(C(=O)Oc2ccc3ccccc3c2)oc2c1/C(=N/NC(=O)c1ccccc1O)CCC2 40826363 HVBUJCZYCBLUOO-SGWCAAJKSA-N 454.482 5.136 50 10 JKGE CCOc1ccc2ccccc2c1/C=N/NC(=O)COc1ccc(Br)cc1CC 40959945 DXVYJRDPKBXKSW-AFUMVMLFSA-N 455.352 5.093 50 10 JKGE COC(=O)c1ccc(C)c(-c2ccc(/C=C(\C#N)C(=O)Nc3cccc(Cl)c3Cl)o2)c1 59336382 BFDBFRYCFRWSEY-XNTDXEJSSA-N 455.297 5.894 50 10 JKGE C/C(=N/NC(=O)c1cc2c(C)nn(-c3ccccc3)c2s1)c1ccc(C2CCCCC2)cc1 89568287 WWDFNVRMQYMDIX-VEILYXNESA-N 456.615 6.597 50 10 JKGE COc1ccc([C@@H](C(=O)NC2CCCCC2)N(CCc2ccccc2Cl)C(=O)CCl)cc1 97914314 MMOIBEFUPAWLTR-DEOSSOPVSA-N 477.432 5.149 50 10 JKGE CCc1ccc(N2C(=O)[C@@H](Cc3ccccc3F)S/C2=C(/C#N)C(=O)Nc2cccc(C)c2)cc1 101245390 ACINSERXQYULNB-RAMZYJDASA-N 485.584 5.762 50 10 JKGE CCCCCN1C(=O)C(C#N)=C(C)/C(=C\c2cn(-c3ccccc3)nc2-c2ccc(OC)c(F)c2)C1=O 101333261 FWMWRXFZDHZJED-HZHRSRAPSA-N 498.558 5.469 50 10 JKGE Fc1cccc(F)c1C[C@H](Br)c1cc(Br)c(Br)s1 128218257 MYXOLUTZHWDCCC-ZETCQYMHSA-N 460.963 6.230 50 10 JKGE Brc1ccc(Br)c([C@H](Br)c2cc3c(s2)CCSC3)c1 130415235 IYNAHIBSIVUREY-AWEZNQCLSA-N 483.088 6.547 50 10 JKGE COC(=O)[C@]1(C)CC[C@]2(C)CC[C@]3(C)C4=CC=C5C(=O)OC(=O)C=C5[C@]4(C)CC[C@@]3(C)[C@@H]2C1 137147163 AFYNUVCDKLFCAU-PTDFUWQFSA-N 452.591 5.455 50 10 JKGE CCOC(=O)/C=C(C)/C=C/C=C(C)/C=C/C1=C(C)C[C@@H](O[Si](C)(C)C(C)(C)C)CC1(C)C 196224547 GJWAMELVKILLHI-HRQIJUAOSA-N 458.759 8.081 50 10 JKGE in-vitro CCCOc1ccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)/C=C\c4ccc(OC)cc4)ccc32)cc1 205642546 ANYOMCVZMMXRIL-YFPZVVALSA-N 482.536 5.321 50 10 JKGE O=C(C[P+](c1ccccc1)(c1ccccc1)c1ccccc1)Oc1cccc(C(F)(F)F)c1 206226337 YFJCVQQYORMJAJ-UHFFFAOYSA-N 465.431 5.605 50 10 JKGE Fc1cc(Cl)c([C@H](Br)c2ccc(Br)cc2Br)cc1F 236214365 UVJCVOGHJGVTTL-CYBMUJFWSA-N 475.352 6.628 50 10 JKGE COc1ccc(C=NNC(=O)C(C)(C)Oc2ccc(Cl)cc2)cc1COc1cccc(Cl)c1 252623589 OUVJRNSNPQPOQN-UHFFFAOYSA-N 487.383 5.889 50 10 JKGE BrCc1cccc2c(I)c(I)sc12 306607326 HYHRSPVROQUIFX-UHFFFAOYSA-N 478.918 5.005 50 10 JKGE Cl[C@@H](c1ccc(OCc2ccccc2)cc1)c1cc(Br)ccc1Br 310512094 QOKLYBUQTAQMQS-FQEVSTJZSA-N 466.600 7.119 50 10 JKGE C[C@H](Cl)c1nc2cnccc2n1-c1cc(I)ccc1Br 312505790 CSZZNEKXDOTJKJ-QMMMGPOBSA-N 462.516 5.087 50 10 JKGE COc1ccc([C@H](Br)c2cc(Cl)c(C)cc2Br)cc1Br 312821170 SVJWKYKWNNLHIJ-HNNXBMFYSA-N 483.425 6.666 50 10 JKGE O=C(Nc1cccc(CCBr)c1)c1ccc(Br)cc1Br 313179347 SXDDVUCSBGMELM-UHFFFAOYSA-N 461.979 5.401 50 10 JKGE C[C@@H](Cl)c1nc2cc(F)c(Br)cc2n1C(C)(C)CN(C)Cc1ccccc1 379606986 CMVWBYOANHIDGJ-CQSZACIVSA-N 452.799 6.105 50 10 JKGE O=C(OCc1ccccc1)N1C[C@H](CI)[C@H](c2ccc(Cl)cc2Cl)C1 394512510 FMYBWFRJRHKVIK-WMLDXEAASA-N 490.168 5.781 50 10 JKGE CN(C(=O)OC(C)(C)C)c1ccc([C@@H]2CN(CCO[Si](C)(C)C(C)(C)C)CCO2)cc1 616648042 KWRCKVWSZBPCPZ-NRFANRHFSA-N 450.696 5.453 50 10 JKGE COc1c(C)cc(Br)c(C)c1[C@H](Br)c1nn(C)cc1Br 693042592 FQAHIFMZCOEVGJ-LBPRGKRZSA-N 466.999 5.055 50 10 JKGE CC(C)(COc1c(Br)cc(CBr)cc1Br)CC(F)(F)F 694002076 IHBVTMLHHBDLEF-UHFFFAOYSA-N 482.960 6.464 50 10 JKGE BrCC(CBr)(Cc1ccns1)c1cccc(Br)c1 694583827 VKPJXDMJUMEQMH-UHFFFAOYSA-N 454.025 5.176 50 10 JKGE BrCc1ccc(Br)cc1N1C[C@H]2C[C@@H](CN(Cc3ccccc3)C2)C1 719372599 GGGPCTYJTOKQJO-ROUUACIJSA-N 464.245 5.302 50 10 JKGE C[C@@H]1Cc2cc(Br)cc([C@H](Br)c3ccc(Br)o3)c2O1 720030611 FALSMSVUOPUIDM-UHLUBPPHSA-N 450.952 5.612 50 10 JKGE CC(C)c1ccc([C@H](Br)c2ccc(I)c(Br)c2)cc1 721603624 NDQUSODBOPOCJE-INIZCTEOSA-N 494.008 6.661 50 10 JKGE C/C(C=O)=C\CC[C@H](C)[C@@H]1CC[C@]2(C)C3=C(CC[C@@]12C)[C@]1(C)CCC(=O)C(C)(C)[C@@H]1CC3=O 1077997676 KZOBOICRKKYGAQ-NRSAIZDCSA-N 452.679 7.045 50 10 JKGE O=C(Cl)/C=C\c1ccc(OCc2cccc(Br)c2)c(I)c1 1081475911 OCSQAHBSFYBDHV-ALCCZGGFSA-N 477.523 5.411 50 10 JKGE CN(c1ccccc1)c1ccc(C=NNC(=O)COc2ccc(C(C)(C)c3ccccc3)cc2)cc1 1084032855 JRQJHGPZBONGAX-UHFFFAOYSA-N 477.608 6.310 50 10 JKGE Nc1nnc(SCCCC(=O)NN=C(Cc2ccccc2)c2ccc(-c3ccccc3)cc2)s1 1084050649 WOBLJKBJDHCRAR-UHFFFAOYSA-N 487.654 5.423 50 10 JKGE O=C(NN=Cc1ccc(OCc2ccc(Cl)cc2Cl)cc1)c1ccc(Cl)c(Cl)c1 1084412459 JJYCNLUBHKDWPC-UHFFFAOYSA-N 468.167 6.643 50 10 JKGE Cc1c(C(=O)Nc2cc(C(F)(F)F)ccc2Cl)oc2c1C(=NNC(=O)c1cccs1)CCC2 1772750086 XEFROXNOWRNSOQ-UHFFFAOYSA-N 495.910 6.044 50 10 JKGE COc1cc(C=NNC(=O)COc2cc(C)ccc2C(C)C)ccc1OCc1ccccc1Cl 1772752847 LIQKSRZMOZUQJN-UHFFFAOYSA-N 480.992 5.889 50 10 JKGE CC(C)(C)c1ccccc1OCC(=O)NN=Cc1ccc(OCc2ccccc2Cl)cc1 1772754442 HUEMQXKNFXUULX-UHFFFAOYSA-N 450.966 5.746 50 10 JKGE CC(C)CCC[C@@H](C)[C@@H]1CC[C@H]2[C@@H]3CC=C4CC[C@@H](OC(=O)CCCl)C[C@]4(C)[C@H]3CC[C@@]21C 1857624673 YALMZSOWQWEZFX-WTTRVTJBSA-N 477.173 8.569 50 10 JKGE N#CC1=C(N)Oc2c(c(-c3ccccc3)nn2Cc2ccccc2Cl)[C@@H]1c1cccc2ccccc12 1865682120 GJQJFUVGWYAQGZ-AREMUKBSSA-N 488.978 6.623 50 10 JKGE CCCCOc1ccc([C@@H]2C(C#N)=C(N)Oc3c2c(-c2ccccc2)nn3-c2ccc(OC)cc2)cc1 1865690062 HVZUFVARMJWIIG-AREMUKBSSA-N 492.579 5.945 50 10 JKGE CC(C)Cn1nc(C(F)(F)F)c2c1OC(N)=C(C#N)[C@@H]2c1ccc(OCc2ccccc2)cc1 1865690182 KWTZQHOJDRLBSZ-FQEVSTJZSA-N 468.479 5.355 50 10 JKGE C=CCOc1ccccc1[C@@H]1C(C#N)=C(N)Oc2c1c(CCC)nn2Cc1cc(C)ccc1C 1865690772 ARCZBZXZNKWWIM-RUZDIDTESA-N 454.574 5.284 50 10 JKGE CCCOc1cccc([C@H]2C(C#N)=C(N)Oc3c2c(CCC)nn3-c2ccc(Br)cc2)c1 1865693215 IHIDDQSHQIUPLA-QFIPXVFZSA-N 493.405 5.594 50 10 JKGE CCc1nn(-c2ccc(Cl)c(Cl)c2)c2c1[C@H](c1ccc(OC(C)C)c(OC)c1)C(C#N)=C(N)O2 1865697544 WDHQRPHJGYCBPD-JOCHJYFZSA-N 499.398 5.755 50 10 JKGE COc1ccc(-c2nn(Cc3cccc(Cl)c3)c3c2[C@@H](c2sccc2C)C(C#N)=C(N)O3)cc1 1865699416 SZRJOIFSKAEFQP-NRFANRHFSA-N 489.000 5.849 50 10 JKGE CCCc1nn(CC(C)C)c2c1[C@@H](c1ccc(OCc3ccccc3C)cc1)C(C#N)=C(N)O2 1865702807 FORFLPDJFAFIEN-VWLOTQADSA-N 456.590 5.597 50 10 JKGE CC[C@H](C(=O)N[C@@H](Cc1ccc(F)cc1)C(=O)Nc1ccc(SC#N)cc1)c1ccc(Cl)cc1 1866951674 UIECDNJZZDVPHY-ZEQRLZLVSA-N 496.007 5.912 50 10 JKGE CC(C)c1nc(Nc2ccc(SC#N)cc2)cc(N2CCN3CCc4c(F)cccc4[C@@H]3C2)n1 1868231470 HVXVKFCXKIDSKV-QHCPKHFHSA-N 474.609 5.475 50 10 JKGE Cc1ccccc1-c1nc(Nc2ccc(SC#N)cc2)cc(N2CCO[C@H](c3ccccc3)C2)n1 1868301828 ZRFSZPHWQMDSJD-VWLOTQADSA-N 479.609 6.347 50 10 JKGE CCCCCCOc1ccc(/C(O)=C(\C#N)c2nc(-c3ccc(-c4ccccc4)cc3)cs2)cc1 1872744073 UQVBFVFGAZQHPC-OHYPFYFLSA-N 480.633 8.386 50 10 JKGE N#C/C(=C(/O)CNC(=O)c1ccc(Cl)cc1)c1nc(-c2cccc(Br)c2)cs1 1872745727 AHUUTWGZQDFBML-VLGSPTGOSA-N 474.767 5.449 50 10 JKGE COc1cc(/C=C/C(O)=C(\C#N)c2nc(-c3ccccc3Cl)cs2)cc(OC)c1OC 1872746559 NOCLCXWRQZHLOC-DFVMKROZSA-N 454.935 5.995 50 10 JKGE CCCCCCCOc1ccc(-c2csc(/C(C#N)=C(\O)c3c(F)cccc3Cl)n2)cc1 1872753063 GHOQDMWITAIFOJ-CLCOLTQESA-N 470.997 7.902 50 10 JKGE COc1c(Cl)cc(-c2csc(/C(C#N)=C(\O)Cc3c[nH]c4ccccc34)n2)cc1Cl 1872756333 XRMYNRHOXBUBPU-HKWRFOASSA-N 456.354 6.642 50 10 JKGE Cc1cc(C)c(-c2csc(/C(C#N)=C(\O)[C@@H]3CC(=O)N([C@H](C)c4ccccc4)C3)n2)c(C)c1 1872756822 CIVQHXGATFAPFS-BASDYRNCSA-N 457.599 6.138 50 10 JKGE CCOc1cc(/C=C(\C#N)c2nc(-c3ccc4ccccc4c3)cs2)cc(Br)c1O 1872782537 LPKVHTIWWINPPI-DJKKODMXSA-N 477.383 6.894 50 10 JKGE Cc1ccc(-c2csc(/C(C#N)=C/c3ccc(OCc4ccc(Cl)cc4Cl)cc3)n2)c(C)c1 1872790612 UDYDINJBOXSXTQ-CIAFOILYSA-N 491.443 8.377 50 10 JKGE Clc1c(Br)sc(Br)c1[C@H](Br)[C@@H]1[C@@H]2CCCO[C@@H]21 1907582385 KROWYEZKTNYUMR-PGLSMWOHSA-N 465.432 5.788 50 10 JKGE CC[C@@H](Cl)CN(Cc1ccccc1)C(=O)c1cc(Cl)ccc1I 1915114561 QKDNLJXEWSQNCM-CQSZACIVSA-N 462.158 5.604 50 10 JKGE Cc1ccc(C(=O)N(Cc2ccccc2)[C@H](CBr)C2CC2)c(Br)c1 1915311869 HTMQWSLWONBLDU-LJQANCHMSA-N 451.202 5.573 50 10 JKGE Cc1ccc([C@H](Cl)c2sc(Br)c(C)c2Br)cc1Br 1922945976 MHXDDFVMCKDTNT-NSHDSACASA-N 473.455 6.981 50 10 JKGE Clc1ccc([C@H](Br)c2c(Br)sc(Br)c2Cl)cc1 1923050575 XBDXXEQOGQZDKB-QMMMGPOBSA-N 479.846 7.064 50 10 JKGE C[C@@H]1CC[C@@H]([C@@H](Br)c2c(Br)sc(Br)c2Br)C1 1924570725 MHNMXJKLDYVSRC-ATRFCDNQSA-N 495.900 6.908 50 10 JKGE Fc1ccccc1[C@@H](Cl)c1c(Br)sc(Br)c1Br 1924580179 POVPKWOPULFGPM-SECBINFHSA-N 463.391 6.503 50 10 JKGE Cl[C@H](c1c(Br)sc(Br)c1Br)[C@H]1C[C@@H]1c1ccccc1 1924596997 WIKPETJGOIAHDQ-PTRXPTGYSA-N 485.466 7.119 50 10 JKGE CC(C)(C1CCC1)[C@@H](Cl)c1c(Br)sc(Br)c1Br 1924605337 PNIWRNVJPCRGEB-VIFPVBQESA-N 465.476 7.142 50 10 JKGE Fc1ccc(Br)cc1[C@@H](Br)c1c(Cl)sc(Cl)c1Cl 1925587511 KDTYVFONGIXKCS-MRVPVSSYSA-N 453.385 7.094 50 10 JKGE Cc1cc(Br)c([C@H](Br)CC2CC(C(F)F)C2)cc1Br 1926988383 WFLGEUVNBTYHNV-KJHLLKJSSA-N 460.982 6.637 50 10 JKGE O=C(c1cc(Br)c(Cl)s1)N(Cc1ccccc1)[C@@H](CBr)C1CC1 1981402256 URIFYWCKMKXYPQ-AWEZNQCLSA-N 477.649 5.980 50 10 JKGE COCc1cc(Br)c([C@H](Br)c2scc(C)c2Br)s1 2039333224 YBGMJULYHXPLKO-JTQLQIEISA-N 475.065 6.274 50 10 JKGE CCCC1CCC(CI)(OCCOCCOCc2ccccc2)CC1 2056734422 WZVJPMLSBWQIAQ-UHFFFAOYSA-N 460.396 5.401 50 10 JKGE Cc1cc(Br)c(C)c([C@@H](Cl)c2sccc2Br)c1Br 2081063073 WUHLCDNERZCAPP-GFCCVEGCSA-N 473.455 6.981 50 10 JKGE CCc1sc(Br)cc1[C@@H](Br)c1c(F)cc(Br)cc1F 2090680163 DDXXGBSYUCFRRN-CYBMUJFWSA-N 474.990 6.598 50 10 JKGE Cc1cc(CCl)cc(S(=O)(=O)N(Cc2ccccc2)[C@@H](C)C(C)C)c1Br 2095909788 VFOFNYDDXPJNMJ-INIZCTEOSA-N 458.849 5.732 50 10 JKGE C[C@@H](Cl)c1nc2cc(Cl)c(Br)cc2n1C1CC(OCc2ccccc2)C1 2112700902 CJVMJDPLIIQWPF-LRVUVFPRSA-N 454.195 6.672 50 10 JKGE Fc1cc(Br)cc(N2C[C@H]3CCN(Cc4ccccc4)C[C@H]3C2)c1CBr 2114260665 IWOYXOZGZBWJAF-SJORKVTESA-N 482.235 5.441 50 10 JKGE CO[C@H]1C[C@H]([C@@H](Br)c2cc(Br)ccc2Br)C[C@H]1OC 2118265895 CVZZBNDHGLCGGB-ULTHFGNCSA-N 457.000 5.088 50 10 JKGE CCO[C@@H]1CC[C@H]([C@@H](Br)c2ccc(Br)c(C)c2Br)C1 2138875133 CBRDPMARABEGJP-FIXISWKDSA-N 455.028 6.161 50 10 JKGE CC[C@@H](Br)[C@H]1CCCCN1Cc1ccc(I)c(Cl)c1 2142951195 XZZCAZJHDMXTAN-IUODEOHRSA-N 456.593 5.473 50 10 JKGE CC(C)C[C@H](C(C)C)[C@@H](Br)c1cc(I)cc2c1OCC2 2144843208 CZUBBYLXXBPLDL-GDBMZVCRSA-N 451.186 5.980 50 10 JKGE Brc1scc([C@@H](Br)Cc2ccc3ccccc3c2)c1Br 2150341386 BMIBLMSXZGPNCC-AWEZNQCLSA-N 475.043 7.105 50 10 JKGE Clc1ccc(C[C@@H](Br)c2cc(C3CC3)c(Br)s2)cc1Cl 2151033036 OQPWRTAOIUCQHL-LLVKDONJSA-N 455.042 7.374 50 10 JKGE C[C@@]1(n2c(CCCl)nc3cc(Br)c(Cl)cc32)CCN(Cc2ccccc2)C1 2159869755 WGPJLLGKVMFZQZ-OAQYLSRUSA-N 467.238 5.855 50 10 JKGE CCCC(CBr)(CCC)CN=[S@@](C)(=O)[C@@H]1CCCN(C(=O)OC(C)(C)C)C1 2163058777 NRIYMVMJUPZUCJ-CRYYWNKWSA-N 467.514 5.465 50 10 JKGE CC(C)(C)OC(=O)NCC[C@H](N(CC1(CBr)CCCC1)C1CC1)C(F)(F)F 2163061758 IFPCNPCYAHZZNV-HNNXBMFYSA-N 457.375 5.252 50 10 JKGE CCCCC[C@H]1CC[C@H]([C@H](Br)c2cc(Br)sc2Br)CC1 2168771509 DHFATGMDWGOKPD-HUBLWGQQSA-N 487.139 8.096 50 10 JKGE Fc1cc(Br)cc(N2CCCN(Cc3ccccc3)CCOCC2)c1CCl 2170695006 ZSTAGIFGGJHXJP-UHFFFAOYSA-N 455.799 5.056 50 10 JKGE ClC[C@H](Cc1cccc(Br)c1)Cc1cc(Br)ccc1Br 2175146679 GXVACDLEACGIQQ-GFCCVEGCSA-N 481.453 6.614 50 10 JKGE BrC[C@H]1CN(Cc2c(Br)cccc2Br)CC12CCCC2 2175222805 YBISKEVCUFQKIX-LBPRGKRZSA-N 466.055 5.599 50 10 JKGE C[C@H](CC(CBr)(CBr)c1ccccc1Br)OC(C)(C)C 2192206725 JVMJDEBDJVGWDX-GFCCVEGCSA-N 471.071 6.070 50 10 JKGE Cc1cc(Br)c(C)c([C@@H](Br)CC(C2CC2)C2CC2)c1Br 2201062170 LQGSIHHSKIASTF-HNNXBMFYSA-N 465.067 7.091 50 10 JKGE COc1c(Br)cc(C)cc1[C@@H](Cl)c1ccc(I)c(C)c1 2207096751 MCBBGPHHJBIICW-HNNXBMFYSA-N 465.556 6.007 50 10 JKGE CO[C@@H]1C[C@@H](Br)C[C@H]1c1sc(Br)c(Br)c1Br 2212200697 PBMKDZHJYUQQEC-KVQBGUIXSA-N 497.872 5.692 50 10 JKGE C[C@H](CCBr)N(Cc1ccccc1)Cc1c(Br)sc2ccccc12 2213026575 CTVVMRDEVFNSHP-OAHLLOKOSA-N 467.270 6.840 50 10 JKGE Cc1ccc(I)c([C@H](Cl)c2cc(Cl)c(Br)s2)c1 2217420611 GRSLVYNOWWNKPQ-NSHDSACASA-N 461.977 6.405 50 10 JKGE Cc1c(Br)sc([C@@H](Br)c2c(Br)nn(C)c2C)c1C 2218787560 KSSJUYRRLBZCFE-VIFPVBQESA-N 457.029 5.416 50 10 JKGE Cc1cc2c(cc1Cl)nc([C@H](C)Cl)n2CCCN(Cc1ccccc1)Cc1ccccc1 2221264958 VNEOJHTVMVEZHI-NRFANRHFSA-N 466.456 7.390 50 10 JKGE Cc1nc([C@@H](Br)c2c(Br)cc(C)c(Cl)c2C)c(Br)s1 2224324208 UNUBAFNCFACKLG-JTQLQIEISA-N 488.470 6.731 50 10 JKGE CCOCc1cc(Br)c([C@H](Br)c2cc(C)sc2Br)s1 2224773983 OKAHIBVFCPVIKR-LLVKDONJSA-N 489.092 6.664 50 10 JKGE Cc1cc(Br)c([C@@H](Br)c2cccc(Cl)c2)c(C)c1Br 2227355095 YIPRHHXHECOJPB-HNNXBMFYSA-N 467.426 6.966 50 10 JKGE CCCCCCCCCCO[C@@]1(CI)CCCN(C(=O)OC(C)(C)C)C1 2231031957 AYQFPNFVCRWDCB-OAQYLSRUSA-N 481.459 6.348 50 10 JKGE Clc1c(Br)sc(Br)c1[C@H](Br)C12COCC(C1)C2 2250942148 KVFBIWCBNFKZCA-QHCBANEHSA-N 465.432 5.789 50 10 JKGE Cc1c(Br)sc([C@H](Br)[C@@H]2CC(F)(F)C23CCC3)c1Br 2266147349 ZAYKEIFKYBAQEB-IONNQARKSA-N 479.022 6.843 50 10 JKGE COc1ccc([C@H](Br)c2scc(Br)c2Cl)c(OC)c1Cl 2279283762 PURQRTLWRINYTR-VIFPVBQESA-N 461.002 6.319 50 10 JKGE COc1ccc([C@@H](Br)c2csc3ccccc23)cc1I 2284996600 BHWINXFEXNCRFL-MRXNPFEDSA-N 459.146 5.999 50 10 JKGE Brc1coc([C@H](Br)c2cc3c(cc2Br)OCCCO3)c1 2286014612 ROMMPXLDACJVCA-CQSZACIVSA-N 466.951 5.450 50 10 JKGE Cc1ccc(C[C@H]2SC(=C(C#N)C(=O)NCc3ccccc3)N(c3ccc(Cl)cc3)C2=O)cc1 2293039163 KFPCPYPHHLONNI-XMMPIXPASA-N 488.012 5.391 50 10 JKGE N#CC(=CNc1cccc(Cl)c1Cl)c1nc(-c2cccc(Br)c2)cs1 2295894381 ZTELQGWSOGFNFC-UHFFFAOYSA-N 451.176 6.856 50 10 JKGE CCCCCCOC(=O)c1ccccc1NC=C(C#N)c1nc(-c2ccc(C)cc2C)cs1 2295937252 DPITZKSHMYIJKN-UHFFFAOYSA-N 459.615 7.141 50 10 JKGE COC(=O)c1ccc(C(=O)OC)c(NC=C(C#N)c2nc(-c3ccc(Br)cc3)cs2)c1 2295945684 QCWARMWSLDGBNH-UHFFFAOYSA-N 498.358 5.122 50 10 JKGE Cc1ccc(CBr)cc1NC(=O)c1cccc(Br)c1Br 2296123509 PHORZHBQKCBDAW-UHFFFAOYSA-N 461.979 5.667 50 10 JKGE CCOc1ccc(C[C@H]2SC(=C(C#N)C(=O)Nc3ccccc3)N(c3ccccc3)C2=O)cc1 2296506963 NHJBNVAVFIGHFG-XMMPIXPASA-N 469.566 5.150 50 10 JKGE N#CC(=Cc1cn(-c2ccccc2)nc1-c1cc2ccccc2o1)C(=O)Nc1ccc2c(c1)OCCO2 2297391127 JCOUDHYYUCLLHF-UHFFFAOYSA-N 488.503 5.602 50 10 JKGE N#CC(=Cc1c(OCc2ccc(Cl)cc2)ccc2ccccc12)C(=O)Nc1ccc(F)cc1 2297533870 VKXNEZRYEUUNFB-UHFFFAOYSA-N 456.904 6.757 50 10 JKGE FC1(F)CCC[C@@H]1[C@@H](Br)c1ccc(OCc2ccccc2)cc1Br 2299493580 GIZGISSQFVIZCL-AEFFLSMTSA-N 460.156 6.900 50 10 JKGE CCC[C@@H](C(C)C)[C@H](Br)c1cc(Br)ccc1OCc1ccccc1 2299505798 ZWKVLKYYBQGVOG-RXVVDRJESA-N 454.246 7.536 50 10 JKGE Brc1cc(OCc2ccccc2)ccc1[C@H](Br)[C@@]12CCOC[C@H]1C2 2299533596 UVQQCXRAVOYJAN-UIAACRFSSA-N 452.186 5.891 50 10 JKGE N#CC(=Cc1ccc(OCc2ccc(Cl)cc2)cc1)C(=O)Nc1sc2c(c1C#N)CCCC2 2313630755 RHGIAOFGSUXUDD-UHFFFAOYSA-N 473.985 6.277 50 10 JKGE N#CC(=Cc1ccc(-n2nc(-c3ccccc3)cc2-c2ccccc2)cc1)C(=O)Nc1ccc(F)cc1 2314482730 UBDPZSAOAMJOOC-UHFFFAOYSA-N 484.534 6.891 50 10 JKGE N#CC(=Cc1cn(-c2ccccc2)nc1-c1ccccc1)c1nc(-c2cc3ccccc3oc2=O)cs1 2314489771 SQKGFQPYHPVQQD-UHFFFAOYSA-N 498.567 6.833 50 10 JKGE CC1(C)CO[C@@H](C[C@@H](Br)c2ccc(OCc3ccccc3)cc2Br)C1 2314503203 PXXYDPMAESBHPZ-FXAWDEMLSA-N 468.229 6.669 50 10 JKGE CCc1ccc(C[C@@H]2SC(=C(C#N)C(=O)Nc3ccccc3)N(c3ccc(OC)cc3)C2=O)cc1 2314592430 TUKBSZAUDWGQOE-VWLOTQADSA-N 483.593 5.323 50 10 JKGE CCCN1C(=O)C(=Cc2ccc(OCc3ccc(Cl)cc3Cl)cc2)C(C)=C(C#N)C1=O 2314611037 OXEKOYHMZFWNGD-UHFFFAOYSA-N 455.341 5.575 50 10 JKGE CCCc1sc(Br)cc1[C@H](Br)c1sc(C)cc1Br 2316187898 SMWOOKOEBQIZSD-LBPRGKRZSA-N 473.093 7.080 50 10 JKGE CCOC(=O)c1c(-c2ccc(Br)cc2)csc1NC(=O)C(C#N)=Cc1cccc(F)c1 2329674110 YQAOQIWVVRBCIP-UHFFFAOYSA-N 499.361 6.039 50 10 JKGE COc1cc2nc(C(C#N)=Cc3cccc(OC)c3OCc3ccccc3)nc(O)c2cc1OC 2331042705 YRDGQLIYJIGATK-UHFFFAOYSA-N 469.497 5.004 50 10 JKGE N#CC(=C(O)C=Cc1ccc(OCc2ccccc2)cc1)c1nc(-c2ccccc2Cl)cs1 2331266768 GPBNGINAYORLAX-UHFFFAOYSA-N 470.981 7.549 50 10 JKGE CCOc1ccc(CC(O)=C(C#N)c2nc(-c3ccc(Oc4ccccc4)cc3)cs2)cc1 2331358491 CWWIXIHGYXVVGP-UHFFFAOYSA-N 454.551 7.036 50 10 JKGE COc1c(Cl)cc(Cl)cc1-c1csc(C(C#N)=C(O)C=Cc2ccc3c(c2)OCCO3)n1 2331362850 VOFKOBBCJDNRSR-UHFFFAOYSA-N 487.364 6.403 50 10 JKGE CCCCCCC[C@H](Br)c1c(Cl)cc(Br)c(F)c1Br 2337092617 STSKFOVJZCJPRZ-VIFPVBQESA-N 479.453 7.801 50 10 JKGE Cc1cc(Br)c(F)c(Br)c1[C@@H](Br)[C@H]1CCC2(CC2)C1 2339681663 KNKQOHBQJMBCRF-CABZTGNLSA-N 455.003 6.675 50 10 JKGE COc1cc(CBr)cc(Br)c1OCc1nc(Br)cs1 2342920777 YUQGXFVLCZSEEK-UHFFFAOYSA-N 471.996 5.151 50 10 JKGE CCc1cc(Br)c(OC)c([C@H](Br)c2ccc(Br)s2)c1 2353039351 GBUKEOHUJYIMID-ZDUSSCGKSA-N 469.036 6.328 50 10 JKGE Fc1cc(Cl)c(Br)c(Cl)c1[C@H](Br)c1c(Cl)cccc1Cl 2360491514 GWZZZUGFCLBFFB-GFCCVEGCSA-N 481.801 7.686 50 10 JKGE CCOc1ccc(Br)cc1[C@@H](Cl)c1ccc(Cl)cc1I 2365596586 ABZWLGYBIBBHDN-HNNXBMFYSA-N 485.974 6.434 50 10 JKGE COc1cc(C)c(Br)c(C)c1[C@H](Br)c1csc(C)c1Br 2369593133 CSBOUGKWEWEXOG-OAHLLOKOSA-N 483.063 6.691 50 10 JKGE CCSc1ccsc1[C@H]1C(C#N)=C(N)N(c2ccccc2[N+](=O)[O-])C2=C1C(=O)CCC2 4143454 XPKSGGVJKQWUFE-IBGZPJMESA-N 452.561 5.073 50 10 JKGE CCOc1cc(/C=C(/C#N)C(=O)Nc2c(C)cccc2C)ccc1OCc1cccc2ccccc12 6600618 YUMDRZNITHKNBS-ONUIUJJFSA-N 476.576 6.980 50 10 JKGE N#C/C(C(=O)NCc1ccccc1)=C1\S[C@@H](Cc2ccc(Cl)cc2)C(=O)N1c1ccc(F)cc1 7018836 QXDIIYINWPFALC-GPSDDGMOSA-N 491.975 5.222 50 10 JKGE CC[C@@H](Oc1ccc(-c2ccccc2)cc1)C(=O)NNC(=O)c1ccc(NC(=O)C2CCCCC2)cc1 14768756 ILIVPTWGSFDCDP-HHHXNRCGSA-N 499.611 5.491 50 10 JKGE Cc1cc(C)c(N/C(SCc2ccccc2C)=C(/C#N)S(=O)(=O)c2ccccc2)c(C)c1 20325714 DGQJGPXNEDAODQ-SHHOIMCASA-N 462.640 6.432 50 10 JKGE COc1ccc(C(=O)Oc2ccc(/C=C(/C#N)c3ccc(OC)c(OC)c3)cc2OC)cc1OC 31902053 RIWRHYUKYVUBGS-NDENLUEZSA-N 475.497 5.013 50 10 JKGE O=C(CSc1nc2ccccc2n1Cc1ccccc1Cl)N/N=C\C=C\c1ccccc1 33089350 XXNUMWALACSJIR-VWYBFBJGSA-N 460.990 5.646 50 10 JKGE N#C/C(=C/c1ccc(OCCOc2ccc(Cl)cc2)c(Cl)c1)C(=O)NCc1ccco1 35077503 AEGOPMHSBIRKDJ-ATVHPVEESA-N 457.313 5.268 50 10 JKGE CCCCCN1C(=O)/C(=N/NC(=O)CCCOc2ccc(Cl)cc2Cl)c2cc(C)ccc21 38180238 QREYYULPIWAEBZ-WEMUOSSPSA-N 476.404 5.518 50 10 JKGE C[C@@H](Oc1ccccc1F)C(=O)Oc1ccc2c(c1)OC(N)=C(C#N)[C@H]2c1ccc(C(C)(C)C)cc1 38649801 WRQVRGLAPOFLMP-QUGAMOGWSA-N 486.543 5.714 50 10 JKGE CCOc1ccccc1[C@@H]1C(C#N)=C(N)Oc2cc(OC(=O)[C@H](C)Oc3ccc(C(C)C)cc3)ccc21 38650562 LLIYSTWWBAJWPG-VKGTZQKMSA-N 498.579 5.800 50 10 JKGE C[C@@H](Oc1ccc(F)cc1)C(=O)Oc1ccc2c(c1)OC(N)=C(C#N)[C@@H]2c1ccc(Cl)cc1 38651372 XRRQBKMQPYLFBQ-QKFKETGDSA-N 464.880 5.070 50 10 JKGE CC(C)c1ccc(O[C@H](C)C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@@H]3c2ccc(Cl)cc2)cc1 38651416 MXNFODLJJJOZNS-WGDIFIGCSA-N 488.971 6.054 50 10 JKGE C=CCOc1ccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)[C@@H](C)Oc4ccc(CC)cc4)ccc32)cc1 38658246 SLOOPOKZBMWURI-WHLCRQNOSA-N 496.563 5.405 50 10 JKGE CCOc1c(Cl)cc(C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@@H]3c2cccc(F)c2)cc1Cl 38678158 OJCAZQYJQFEYTJ-JOCHJYFZSA-N 499.325 5.969 50 10 JKGE CCOc1ccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4ccccc4Cl)ccc32)cc1OCC 38679033 MAPSZRLEOPSVEK-RUZDIDTESA-N 490.943 5.575 50 10 JKGE Cc1c(C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@@H]3c2ccccc2F)oc2ccc(F)cc12 38687987 SVIXZOIHLHWBNR-HSZRJFAPSA-N 458.420 5.457 50 10 JKGE N#CC1=C(N)Oc2cc(OC(=O)c3sc4cc(Cl)ccc4c3Cl)ccc2[C@H]1c1cccs1 38688361 FLRQNYFEBUWZKY-LJQANCHMSA-N 499.400 6.707 50 10 JKGE COc1c(Cl)cc(C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@@H]3c2ccco2)cc1Cl 38688491 UXNPKLKFSMCYDO-LJQANCHMSA-N 457.269 5.032 50 10 JKGE Cc1c(C(=O)NCc2ccccc2Cl)oc2c1/C(=N/NC(=O)c1ccc(Cl)cc1)CCC2 40811597 SIZQYVNISDUFPL-TURZUDJPSA-N 470.356 5.295 50 10 JKGE Cc1ccccc1NC(=O)c1oc2c(c1C)/C(=N/NC(=O)C(F)(F)C(F)(F)C(F)(F)F)CCC2 40823273 MOKZNZYKYIKBDQ-VVEOGCPPSA-N 493.379 5.138 50 10 JKGE C=CCc1cc(/C=N\NC(=O)CC[C@@H](O)c2ccccc2)cc(OC)c1OCc1ccc(F)cc1 58892063 XXORKRAMLRTQNL-TZMKENEKSA-N 476.548 5.106 50 10 JKGE N#C/C(=C/c1cn(Cc2ccc(Br)cc2)c2ccccc12)C(=O)Nc1ccccc1 59116755 CVNDWXSUYUIPNW-RGEXLXHISA-N 456.343 5.998 50 10 JKGE N#C/C(=C\c1ccc(-c2ccc(C34CC5CC(CC(C5)C3)C4)cc2[N+](=O)[O-])o1)c1nc2ccccc2[nH]1 59863033 MHDUFXNTXVAKMI-CIAFOILYSA-N 490.563 7.263 50 10 JKGE Fc1cc([C@H](Br)c2ccc(Br)cc2Cl)c(F)cc1Br 70474542 NULDVVVSWKIBBZ-CYBMUJFWSA-N 475.352 6.628 50 10 JKGE CC(=O)Nc1ccc(OCCOc2ccc(/C=C(/C#N)C(=O)Nc3nc4ccccc4s3)cc2)cc1 96467380 NAAOAQXZFXKLBD-SILNSSARSA-N 498.564 5.258 50 10 JKGE N#C/C(=C/c1cn(-c2ccccc2)nc1-c1cc2ccccc2o1)C(=O)Nc1cccc2ncccc12 105646105 XJQYWLYKUHFPOX-PGMHBOJBSA-N 481.515 6.379 50 10 JKGE Cc1ccc(Br)cc1[C@H](Br)c1cc(F)c(Br)cc1F 114980690 KIJCDDAJVXRNOE-AWEZNQCLSA-N 454.934 6.283 50 10 JKGE COc1cc([C@H](Br)c2cc(F)cc(Br)c2)c(OC)cc1Br 134298621 HAVVIQZAEUGCAJ-OAHLLOKOSA-N 482.969 5.852 50 10 JKGE Brc1ccc(I)c([C@H](Br)Cc2ccsc2)c1 232479220 VDZMUCPDNPPLAS-LLVKDONJSA-N 471.983 5.794 50 10 JKGE CC(C)(C)C[C@H](Br)CNC(=O)c1cc(Br)sc1Br 232499135 KEKYJOFUDBGDLH-ZETCQYMHSA-N 462.045 5.203 50 10 JKGE Fc1cccc(C[C@@H](Br)c2ccc(Br)cc2Br)c1F 236202918 XSRICKYQOQDMJW-LLVKDONJSA-N 454.934 6.169 50 10 JKGE Cc1ccccc1OCc1ccc(C=NNC(=O)[C@H](Sc2ccccc2)c2ccccc2)o1 254385116 RQMYEULGINETBS-AREMUKBSSA-N 456.567 6.151 50 10 JKGE CN(CCCn1c(CCl)nc2cc(I)c(F)cc21)Cc1ccccc1 384464307 VHLWWXTUUJKVEZ-UHFFFAOYSA-N 471.745 5.041 50 10 JKGE CN(c1ccc(CBr)cc1Br)[C@@H]1CCCN(Cc2ccccc2)C1 388394141 JXQPWQBPRMEUSB-GOSISDBHSA-N 452.234 5.445 50 10 JKGE COc1cccc([C@H](Br)c2cc(Br)sc2Br)c1F 397458307 OALDTRKPZAPXMX-JTQLQIEISA-N 458.972 5.905 50 10 JKGE Clc1ccc(I)c(C[C@@H]2CCc3ccccc3[C@H]2Br)c1 405349814 TVUJPWBWHBKDGC-SJCJKPOMSA-N 461.568 6.186 50 10 JKGE N#CSc1ccc(NC(=O)Nc2cccc(C(=O)Nc3cccc(Br)c3)c2)cc1 586732879 RNYALYAJBOXTAR-UHFFFAOYSA-N 467.348 5.919 50 10 JKGE Clc1ccc([C@H](Br)c2scc(Br)c2Br)c2ccccc12 705461999 CWBFCAYLPVCDBO-ZDUSSCGKSA-N 495.461 7.564 50 10 JKGE COc1ccc(C(CSc2nc3ccccc3[nH]2)=NNC(=O)c2cccc(Cl)c2)cc1 1083999013 FGPISDVVQBJTJP-UHFFFAOYSA-N 450.951 5.151 50 10 JKGE Cc1ccc(-c2ccccc2)n1-c1ccc(C(=O)NN=Cc2ccc(OCc3ccccc3)cc2)cc1 1084235368 JICQSWPQMBBEGJ-UHFFFAOYSA-N 485.587 6.796 50 10 JKGE CCOc1ccc(-n2c(C)cc(/C=C(\C#N)C(=O)Nc3cccc(Cl)c3Cl)c2C)cc1 1084299642 USHXALDSZFWYSP-QGOAFFKASA-N 454.357 6.345 50 10 JKGE CCOc1cc(/C=C(\C#N)C(=O)N(C)C)cc(Br)c1OCc1ccccc1Cl 1084624737 CDRDFTGVMQHASJ-CXUHLZMHSA-N 463.759 5.075 50 10 JKGE Cc1cc(C=NNC(=O)CSCc2ccccc2Cl)c(C)n1-c1ccc(Cl)c(Cl)c1 1084641937 LOIQTMMDQKDXLS-UHFFFAOYSA-N 480.848 6.438 50 10 JKGE O=C(COc1ccc(Br)cc1Cl)NN=C(/C=C\c1ccccc1)c1ccccc1 1084650361 PNSICTSCMDBRMT-VUOQSVERSA-N 469.766 5.715 50 10 JKGE CC(C)(C)N(NC(=O)Nc1cc(F)c(F)cc1F)C(=O)c1cc(Cl)cc(OCCF)c1 1088738962 JDBGUDGCQBPTNW-UHFFFAOYSA-N 461.843 5.083 50 10 JKGE N#CSc1ccc(NC(=O)c2cc(CCc3ccccc3)n(-c3ccc(Cl)c(Cl)c3)n2)cc1 1862326198 AQTDDCDRXVIUDU-UHFFFAOYSA-N 493.419 6.790 50 10 JKGE Cc1ccc(C)c(Cn2nc(C(F)(F)F)c3c2OC(N)=C(C#N)[C@H]3c2ccccc2Cl)c1 1865685953 PKKHXQFESBWJHS-GOSISDBHSA-N 458.871 5.439 50 10 JKGE Cc1ccc(O)c([C@H]2C(C#N)=C(N)Oc3c2c(-c2ccccc2)nn3-c2cccc3ccccc23)c1 1865687281 NLWDLZHZXWBKHV-SANMLTNESA-N 470.532 5.925 50 10 JKGE CCOc1cccc([C@H]2C(C#N)=C(N)Oc3c2c(C(F)(F)F)nn3Cc2cc(C)ccc2C)c1 1865690080 IHZPDBXAFDVPID-FQEVSTJZSA-N 468.479 5.184 50 10 JKGE CCCCCCOc1ccc([C@@H]2C(C#N)=C(N)Oc3c2c(C)nn3-c2ccc(Cl)cc2)cc1OC 1865696482 NUBJOXAFTNHADX-RUZDIDTESA-N 493.007 6.020 50 10 JKGE Cc1nn(Cc2ccccc2Cl)c2c1[C@H](c1ccc(OC(=O)c3ccccc3)cc1)C(C#N)=C(N)O2 1865705134 NFJZNGXYGAPTDE-RUZDIDTESA-N 496.954 5.331 50 10 JKGE COc1ccc(-c2nn(-c3ccc(Cl)c(Cl)c3)c3c2[C@H](c2ccc[nH]2)C(C#N)=C(N)O3)cc1 1865710070 NRIXNIGOSIXNKG-FQEVSTJZSA-N 478.339 5.401 50 10 JKGE Cc1ccc(C)c(Cn2nc(C)c3c2OC(N)=C(C#N)[C@H]3c2cccc(OCc3ccccc3)c2)c1 1865711606 CJBBWKBCSBNSER-MUUNZHRXSA-N 476.580 5.654 50 10 JKGE Cc1nc(-c2ccc(Cl)cc2Cl)ccc1C(=O)NNC(=O)[C@H](C)Oc1ccc(Cl)cc1 1865759645 KSIYTSUWLMGXKN-ZDUSSCGKSA-N 478.763 5.246 50 10 JKGE CCOC(=O)c1c(-c2ccc(Br)cc2)csc1NC(=O)/C(C#N)=C/c1cccc(F)c1 1866131511 YQAOQIWVVRBCIP-MHWRWJLKSA-N 499.361 6.039 50 10 JKGE CCCc1nc(Nc2ccc(SC#N)cc2)cc(N2CC(=O)N3CC(C)(C)c4ccccc4[C@@H]3C2)n1 1868388918 OXBUBVKZGIMFNB-QHCPKHFHSA-N 498.656 5.427 50 10 JKGE COc1cccc(-c2nc(Nc3ccc(SC#N)cc3)cc(N3CCO[C@@H](c4ccccc4)C3)n2)c1 1868505784 KMPNAFRSLOJKOE-RUZDIDTESA-N 495.608 6.047 50 10 JKGE CCCOC(=O)c1ccc(Oc2coc3cc(OCc4ccc(CCl)cc4)ccc3c2=O)cc1 1871436595 HAMHKUOBBOGIET-UHFFFAOYSA-N 478.928 6.470 50 10 JKGE COc1cc(/C=C(\C#N)c2ccc(C(=O)OC(C)C)o2)ccc1OCc1ccc(Cl)cc1 1872728815 VRWKWIKFQXVYPG-XDHOZWIPSA-N 451.906 6.150 50 10 JKGE N#C/C(=C(/O)CCCOc1ccccc1Cl)c1nc(-c2cccc(Br)c2)cs1 1872745909 JLSHKLLSHZQWRD-MNDPQUGUSA-N 475.795 6.878 50 10 JKGE CC(C)COc1ccc(/C(O)=C(\C#N)c2nc(-c3cccc(Br)c3)cs2)cc1 1872746067 PSPKSXIASGJFBT-VZCXRCSSSA-N 455.377 6.557 50 10 JKGE N#C/C(=C(O)\C=C/c1ccc2c(c1)OCCO2)c1nc(-c2ccc(Br)cc2)cs1 1872746622 QAYFGQDVZASHDK-NIDXFDPDSA-N 467.344 5.850 50 10 JKGE Cc1cc(C)c(C)c(-c2csc(/C(C#N)=C(\O)c3ccc4c(c3)C(=O)N(C(C)(C)C)C4=O)n2)c1C 1872754146 FKJVTNINYQJVKD-FLFQWRMESA-N 485.609 6.388 50 10 JKGE CCOc1ccc(OCC)c(-c2csc(/C(C#N)=C(O)/C=C/c3ccc(Cl)cc3Cl)n2)c1 1872754991 SXLODCXAQJEBRH-UTWNGNFCSA-N 487.408 7.420 50 10 JKGE COc1ccc(-c2csc(/C(C#N)=C(\O)[C@@H](C)Oc3ccccc3C(C)C)n2)c(OC)c1 1872755246 DYVJDULUURGYOL-UVPKWBSNSA-N 450.560 6.211 50 10 JKGE CCCOc1c(/C=C(\C#N)c2nc(-c3cc(OC)c(Cl)cc3OC)cs2)cccc1OC 1872793675 MWIIRGNJZSVXGJ-MHWRWJLKSA-N 470.978 6.342 50 10 JKGE COc1ccc(/C=N/NC(=O)c2ccc([N+](=O)[O-])cc2)cc1OCc1ccc(Cl)cc1Cl 1873498293 ASMVVVDJUIWDEV-BRJLIKDPSA-N 474.300 5.253 50 10 JKGE O=S(=O)(c1cc(CBr)cc(F)c1F)N(Cc1ccccc1)Cc1ccccc1 1885382289 CSHGAZJZDVVRJU-UHFFFAOYSA-N 466.347 5.251 50 10 JKGE Clc1ccc([C@H](Br)c2ccc(Br)s2)c(I)c1 1901581952 INARJZUAXMJLMY-NSHDSACASA-N 492.401 6.253 50 10 JKGE O=S(=O)(c1ccc(N(Cc2ccccc2)[C@@H](CBr)C2CC2)cc1)C(F)(F)F 1915187647 DGWRPSQQUSHNLN-SFHVURJKSA-N 462.331 5.160 50 10 JKGE O=C(c1ccc(Br)cc1F)N(Cc1ccccc1)[C@@H](CBr)C1CC1 1915313134 MMZRYYXWSMCDMM-SFHVURJKSA-N 455.165 5.404 50 10 JKGE C[C@@H](c1ccncc1Br)[C@@H](Br)c1c(F)cc(Br)cc1F 1924040100 MRGQDNPEOJYAEA-JKYUHCHBSA-N 469.949 6.125 50 10 JKGE C[C@H](C1CC1)[C@H](Br)c1c(Br)sc(Br)c1Br 1924576257 LYAAHSXOEIXBJC-FBCQKBJTSA-N 481.873 6.518 50 10 JKGE CC(C)[C@H](C)[C@H](Br)c1c(Br)sc(Br)c1Br 1924576680 RBWCWTDSASVKKU-FSPLSTOPSA-N 483.889 6.764 50 10 JKGE CC(C)[C@@H](Br)c1c(Br)sc(Br)c1Br 1924576897 UHGBPRFWZMXPOG-RXMQYKEDSA-N 455.835 6.128 50 10 JKGE Fc1ccc(C[C@@H](Cl)c2c(Br)sc(Br)c2Br)cc1F 1924600299 POUOGQYHURUJKD-ZCFIWIBFSA-N 495.408 6.836 50 10 JKGE CC1(C)C[C@H]1C[C@H](Br)c1c(Br)sc(Br)c1Br 1924616631 RCUQFYNPBAEWEC-RITPCOANSA-N 495.900 6.908 50 10 JKGE Fc1ccc(F)c([C@@H](Br)c2c(Cl)sc(Br)c2Cl)c1F 1925559399 BKDADNAQBDVRIE-SSDOTTSWSA-N 454.920 6.719 50 10 JKGE Fc1cc(Cl)cc([C@H](Br)c2c(Cl)sc(Br)c2Cl)c1F 1925617300 HODSIHLZDNGUDQ-ZETCQYMHSA-N 471.375 7.233 50 10 JKGE CN1CCC(N(Cc2ccccc2)c2cccc(Br)c2CBr)CC1 1946828751 ZRCHXPNQJISGBY-UHFFFAOYSA-N 452.234 5.445 50 10 JKGE Brc1sc(Br)c([C@H](Br)[C@@H]2CC[C@H]3C[C@H]32)c1Br 1975781849 KVZDQIRSYMROHX-LENIQADQSA-N 493.884 6.518 50 10 JKGE Cc1cc(Br)c(CBr)c(N2CC[C@H](N(C)Cc3ccccc3)C2)c1 2005453468 YYIFFPTZCFGXHJ-KRWDZBQOSA-N 452.234 5.363 50 10 JKGE CC1(C)CCC[C@@H]([C@H](Br)c2cc(Br)c(Br)s2)CC1 2039363170 NQSKZKLYYJDORJ-SKDRFNHKSA-N 459.085 7.316 50 10 JKGE CCc1sc(Br)cc1[C@H](Br)c1c(C)nn(C)c1Br 2065890094 ITWGLYKSKPFUMV-NSHDSACASA-N 457.029 5.362 50 10 JKGE CC1(C)CN(c2ccc(CBr)cc2Br)CCCN1Cc1ccccc1 2073436028 BUGVWEADKUKPGG-UHFFFAOYSA-N 466.261 5.835 50 10 JKGE CC(C)(C)OC(=O)NCCCN(C[C@H]1C[C@H](Br)C1)c1cccc(Br)c1 2076253446 RITCPRDGHABKQK-KOMQPUFPSA-N 476.253 5.344 50 10 JKGE COCc1cc(Br)c([C@H](Cl)Cc2ccccc2I)s1 2087570995 YAZVWGJRRHYTHB-GFCCVEGCSA-N 471.585 5.784 50 10 JKGE Cc1cc([C@H](Cl)c2cc(I)cc3c2OCC3)c(Br)s1 2101015737 ZNYOHJLZDFZGFB-GFCCVEGCSA-N 469.569 5.687 50 10 JKGE CC[C@H](Br)[C@@H]1CCCCN1Cc1cc(Cl)ccc1I 2114198624 RZCJUWWDKWYBCJ-ZFWWWQNUSA-N 456.593 5.473 50 10 JKGE C[C@H]1[C@@H](C)N(c2cc(Br)cc(F)c2CBr)C[C@@H](C)N1Cc1ccccc1 2114264515 OSSOGDQLVLKDBP-OWCLPIDISA-N 484.251 5.971 50 10 JKGE C[C@@]1([C@@H](Br)c2c(Cl)sc(Br)c2Cl)CCCC(F)(F)C1 2132122876 KZSPYTBWRCFVGT-GZMMTYOYSA-N 457.005 7.469 50 10 JKGE COCCCCN(Cc1ccccc1)S(=O)(=O)c1cc(Cl)cc(CCl)c1Cl 2152210925 GFFKUOWQKIUARQ-UHFFFAOYSA-N 450.815 5.350 50 10 JKGE CC(C)(C)OC(=O)N(CC(F)F)[C@H]1CCCN(CC2(CBr)CCCCC2)C1 2163058161 ICZRAMSZGWWQOX-INIZCTEOSA-N 453.412 5.298 50 10 JKGE ClCc1nc2cc(Cl)c(Br)cc2n1Cc1csnc1Br 2169014753 BXYDBEUNHMDIFU-UHFFFAOYSA-N 455.990 5.458 50 10 JKGE BrC[C@@H]1CN(Cc2cccc(Br)c2Br)CC12CCCC2 2175222904 YXUJGSBANHSUEK-CYBMUJFWSA-N 466.055 5.599 50 10 JKGE FC1(F)C[C@@H](n2c(CCl)nc3cccc(Br)c32)CN(Cc2ccccc2)C1 2184259539 ABDJMIXKWGGPLI-OAHLLOKOSA-N 454.746 5.620 50 10 JKGE FC1(F)C2(CCC2)C12CC([C@H](Br)c1sc(Br)cc1Br)C2 2195137087 RXGGDAZPTTZHSM-JRIBOLAGSA-N 491.033 6.925 50 10 JKGE Cc1cc(Br)c(C)c([C@H](Br)[C@H]2CC3(CCC3)CO2)c1Br 2201079413 SQYRQKRQXSZTDN-IUODEOHRSA-N 467.039 6.224 50 10 JKGE Fc1cc(Br)c(Br)cc1[C@@H](Br)[C@H]1C[C@H](Br)C1 2210477955 MHOCCRSXNJITLF-BVMVBECYSA-N 479.807 5.960 50 10 JKGE Cc1sc([C@@H](Br)c2c(Cl)sc(Br)c2Cl)cc1Br 2213745899 CDYGBPGYQUKIOD-SSDOTTSWSA-N 499.902 7.434 50 10 JKGE COc1sc([C@@H](Br)c2sc(C)cc2Br)cc1Br 2215942172 FHXJXFXETCVRBE-SECBINFHSA-N 461.038 6.136 50 10 JKGE C[C@H](CC(F)(F)F)[C@@H](Br)c1c(Br)cc(Cl)c(Cl)c1Cl 2224311526 MIJSDAYLADSFAM-SPGJFGJESA-N 463.346 7.434 50 10 JKGE Cc1cc(C)cc([C@@H](Br)c2cc(Br)c(Br)cc2F)c1 2225616848 RDNOCWVUGSTULQ-OAHLLOKOSA-N 450.971 6.452 50 10 JKGE C[C@@H](C[C@@H](Br)c1cc(Br)c(Br)cc1F)CC(C)(C)C 2225618681 ZKUHGCPFZSPARR-GXSJLCMTSA-N 459.035 7.249 50 10 JKGE CO[C@H]1C[C@@H]([C@H](Br)c2cc(Br)c(Br)cc2F)C[C@H]1OC 2233975964 MOSMDPZSEVTBGN-MBTXQYBYSA-N 474.990 5.227 50 10 JKGE Cc1cc(Br)c([C@H](Br)[C@@H]2CC3CCC2CC3)c(C)c1Br 2235603855 KYANMZWKUHKSAB-CAEPASBNSA-N 465.067 7.091 50 10 JKGE O=C(c1cc(Br)ccc1Br)N1C[C@H](Br)CC12CCCC2 2241027490 VEYSOKFBAIBAMF-LLVKDONJSA-N 466.011 5.134 50 10 JKGE CCc1cc([C@H](Br)c2cscc2OCc2ccccc2)sc1Br 2243490496 PBMHNHGSIVBPPR-QGZVFWFLSA-N 472.267 7.198 50 10 JKGE CC(C)(C)OC(=O)NC[C@](C)(CBr)OCc1cc(Br)ccc1Cl 2245931368 VGNDEVTVALLCSI-INIZCTEOSA-N 471.617 5.297 50 10 JKGE Clc1cccc([C@H](Br)Cc2ccncc2Br)c1Br 2256124042 UKTULKFQJHOQFT-SNVBAGLBSA-N 454.387 5.939 50 10 JKGE Brc1cc(Br)cc(C[C@H](Br)c2ccccc2Br)c1 2263518248 BKQMYPPXZTYQKN-AWEZNQCLSA-N 497.850 6.653 50 10 JKGE Clc1ccc(I)cc1OCCCCCCCCCBr 2272688890 DPZQYJABJWXJDI-UHFFFAOYSA-N 459.593 6.449 50 10 JKGE COC[C@@H]1CC[C@@H]([C@H](Br)Cc2cc(Br)cc(Br)c2)C1 2277954902 GHYGGRFANNOJRT-IXPVHAAZSA-N 455.028 5.580 50 10 JKGE BrCCCCC1CCN(Cc2cc(Br)ccc2Br)CC1 2283214958 FMJAYSQOWRDFFR-UHFFFAOYSA-N 468.071 5.989 50 10 JKGE COc1c([C@H](Br)c2ccccc2Br)cc(Br)c(C)c1C 2284526406 VDDSTALRKFSCQE-OAHLLOKOSA-N 463.007 6.321 50 10 JKGE COc1ccc([C@@H](Cl)c2cc(Cl)c(C)c(Br)c2)cc1I 2285005332 VJIULEXUQKSIKU-OAHLLOKOSA-N 485.974 6.352 50 10 JKGE CCCOc1ccccc1C=C(C#N)C(=O)Nc1ncc(Cc2ccc(C)c(Cl)c2)s1 2293038578 MQJSGSYJLBCUKS-UHFFFAOYSA-N 451.979 6.030 50 10 JKGE C=CCOc1c(I)cc(C=C(C#N)C(=O)Nc2ccc(Cl)cc2)cc1OC 2293680452 CCKNPFBGAONVNJ-UHFFFAOYSA-N 494.716 5.064 50 10 JKGE CCOC(=O)c1ccc(-n2c(C)cc(C=C(C#N)C(=O)Nc3ccc(Cl)c(C)c3)c2C)cc1 2294156005 CLHYRERLFHIYLO-UHFFFAOYSA-N 461.949 5.778 50 10 JKGE Cc1ccc(NC(=O)C(C#N)=Cc2cccc(OS(=O)(=O)c3ccc4ccccc4c3)c2)cc1 2295172614 LHRWSDJCMPBNDK-UHFFFAOYSA-N 468.534 5.462 50 10 JKGE CCN1CC(=Cc2ccc(SC)cc2)C2=C(C1)[C@H](c1ccc(SC)cc1)C(C#N)=C(N)O2 2296652062 PVCDLYMFCPBXAU-XMMPIXPASA-N 461.656 5.611 50 10 JKGE CCCCOC(=O)c1ccc(NC(=O)C(C#N)=Cc2ccc(-c3ccc([N+](=O)[O-])cc3)o2)cc1 2296819198 VKJAITBCQZOJHP-UHFFFAOYSA-N 459.458 5.357 50 10 JKGE CCOC(=O)C(C#N)=Cc1cn(-c2ccccc2)nc1-c1ccc(-c2ccc([N+](=O)[O-])cc2)o1 2297328395 XQNUURPWTPVALH-UHFFFAOYSA-N 454.442 5.178 50 10 JKGE Cc1cc([N+](=O)[O-])ccc1NC(=O)C(C#N)=Cc1ccc(-c2ccc([N+](=O)[O-])cc2Cl)o1 2297551697 ZRGQDMXNYACCHR-UHFFFAOYSA-N 452.810 5.271 50 10 JKGE FC(F)(F)[C@@H]1C[C@H]1[C@H](Br)c1cc(Br)ccc1OCc1ccccc1 2299504167 LJATZRUCMKFYDY-UNEWFSDZSA-N 464.119 6.663 50 10 JKGE Cc1ccc(C)c(NC(=O)C(C#N)=Cc2cc(Cl)ccc2OCc2ccc(Cl)cc2Cl)c1 2313637902 MUZQTRXDTPYOSS-UHFFFAOYSA-N 485.798 7.388 50 10 JKGE N#CC(=Cc1cc(Cl)ccc1OCc1ccccc1Cl)C(=O)Nc1cccc([N+](=O)[O-])c1 2313724518 DSUGFZILUJLMCB-UHFFFAOYSA-N 468.296 6.026 50 10 JKGE CCCN[C@@H](c1ccc(OCc2ccccc2)cc1Br)C1CC(Br)C1 2314452824 QRWLOWNRIUFZFF-MYKUNDNFSA-N 467.245 6.242 50 10 JKGE Fc1ccc(C[C@H](Br)c2cc(Br)ccc2OCc2ccccc2)cc1 2314490542 NIFRVYOXYGYLBV-FQEVSTJZSA-N 464.172 6.846 50 10 JKGE N#CC(=Cc1ccc(-c2cccc(Cl)c2Cl)o1)C(=O)Nc1ccccc1C(F)(F)F 2314571990 QCMQBRVIAIFSSS-UHFFFAOYSA-N 451.231 6.818 50 10 JKGE CC(C)(C)c1ccc(C=CC(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@@H]3c2ccc([N+](=O)[O-])cc2)cc1 2314634007 ARCPNXILYPJZNN-HHHXNRCGSA-N 495.535 5.729 50 10 JKGE Cc1ccc(C=CC(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@@H]3c2ccc(Cl)c(Cl)c2)cc1 2314634587 LIANIODZSPCLOT-RUZDIDTESA-N 477.347 6.139 50 10 JKGE CC[C@@]1(C)[C@@H](Br)CCN1C(=O)c1scc(Br)c1Br 2315138861 LIUHPKYJJJRZGK-UFBFGSQYSA-N 460.029 5.051 50 10 JKGE COc1cc(C=NNC(=O)Cc2cc(Cl)ccc2SC)ccc1OCc1ccccc1 2323683692 XYTQXWDAQJWERZ-UHFFFAOYSA-N 454.979 5.342 50 10 JKGE CCOc1cc(C=NNC(=O)CCCCCNC(=O)OC(C)(C)C)ccc1OCc1ccccc1C 2328835326 QGNFHEBDUJKQNN-UHFFFAOYSA-N 497.636 5.508 50 10 JKGE CCn1c(C(C#N)=Cc2ccc(OCc3ccc(C(C)(C)C)cc3)c(OC)c2)nc2ccccc21 2331071807 LWFMSWYCFKUFJP-UHFFFAOYSA-N 465.597 7.005 50 10 JKGE Cc1c([N+](=O)[O-])cc(C(O)=C(C#N)c2nc(-c3ccc(C(C)(C)C)cc3)cs2)cc1[N+](=O)[O-] 2331333031 NQZBNMAHYUHTIT-UHFFFAOYSA-N 464.503 6.182 50 10 JKGE CCCCCCCOc1ccc(-c2csc(C(C#N)=C(O)c3ccc(C(C)(C)C)cc3)n2)cc1 2331346051 USSFBKOBBSODSG-UHFFFAOYSA-N 474.670 8.407 50 10 JKGE CCOC(=O)c1ccc(N2C[C@@H](C(O)=C(C#N)c3nc(-c4ccc(F)c(F)c4)cs3)CC2=O)cc1 2331351875 JDJUCBLTUIOEME-INIZCTEOSA-N 495.507 5.111 50 10 JKGE COc1c(C)cc(C)cc1-c1csc(C(C#N)=C(O)CCCOc2ccccc2Cl)n1 2331373256 RGTHQLDUIOROTG-UHFFFAOYSA-N 454.979 6.741 50 10 JKGE CCOc1cc(C=C(C#N)c2nc(-c3cc(C)c(OC)cc3C)cs2)ccc1OCc1ccccc1 2331485734 VRUVDZFOUMPAPO-UHFFFAOYSA-N 496.632 7.477 50 10 JKGE Fc1c(Br)cc(Cl)c([C@H](Br)C[C@@H]2CC[C@@H]3C[C@H]23)c1Br 2337081626 ABDMEUPXMVVBSR-RYPBNFRJSA-N 475.421 6.876 50 10 JKGE CC1(C)CN(Cc2ccc(Cl)c(I)c2)C[C@H]1CCBr 2337221736 SHRRGVFHTUBVCV-GFCCVEGCSA-N 456.593 5.188 50 10 JKGE Fc1cc(CBr)ccc1OCc1ccc(Cl)c(I)c1 2337271701 ZNWGSKPAKYCPEH-UHFFFAOYSA-N 455.492 5.558 50 10 JKGE COC1(C(F)(F)F)CC([C@H](Br)c2sc(Cl)cc2I)C1 2338768091 MXWWVVMXDZUNNJ-KSHCCYOPSA-N 489.522 5.800 50 10 JKGE Clc1ccc(CN2CCCC[C@H]2CCCBr)c(I)c1 2341024307 GAAXYDJRWKMRDB-AWEZNQCLSA-N 456.593 5.474 50 10 JKGE Fc1cc(Br)c(Br)cc1[C@H](Br)C[C@H]1CC[C@H]1C1CC1 2342171565 DBJFDCVGRQZAFY-JFGNBEQYSA-N 455.003 6.613 50 10 JKGE CCC[C@@H]1CN(Cc2cc(I)ccc2Cl)C[C@H]1CBr 2352432898 ZGCQQSHMYQSLSV-DGCLKSJQSA-N 456.593 5.188 50 10 JKGE Fc1c(Br)cc(Cl)c([C@@H](Br)CC2CCCCCC2)c1Br 2362230705 RRLMYRCBMHIKAC-JTQLQIEISA-N 491.464 7.801 50 10 JKGE C[C@]1([C@H](Br)c2c(Cl)cc(Br)c(F)c2Br)CCCC1(F)F 2362237802 SVTRGCXSEODAPO-VXGBXAGGSA-N 499.390 7.266 50 10 JKGE Cc1cc(Br)c(F)c(Br)c1[C@@H](Br)C[C@H](C)CC(C)(C)C 2365181010 UPHVQGDFHZIJLP-ONGXEEELSA-N 473.062 7.558 50 10 JKGE COc1c(Br)cc(C)c([C@H](Br)[C@@]23CCCC[C@@H]2C3)c1Br 2365192321 BGLVXFWLVBTUOB-HPEXNQPKSA-N 467.039 6.545 50 10 JKGE Cc1cc(Br)c(F)c(Br)c1[C@H](Br)c1cc(F)ccc1F 2365194250 PJNKTHNMVGLXTJ-GFCCVEGCSA-N 472.924 6.422 50 10 JKGE COc1c(Br)cc(C)c([C@H](Br)C[C@@H]2CC[C@@H](C)O2)c1Br 2365216550 VMMIZRIBOSGCMX-OUAUKWLOSA-N 471.027 5.922 50 10 JKGE COc1cccc(/C=N/NC(=O)CSc2nc3ccccc3[nH]2)c1OCc1ccc(Cl)cc1 32520655 XPVZYXHLMKMOIN-LGJNPRDNSA-N 480.977 5.046 50 10 JKGE N#CC1=C(N)Oc2cc(OC(=O)c3cccc4ccccc34)ccc2[C@H]1c1ccc(Br)cc1 38651728 CBQQGZCROUSLPV-RUZDIDTESA-N 497.348 6.040 50 10 JKGE CCCCOc1cccc(C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@H]3c2cccc([N+](=O)[O-])c2)c1 38654064 VETNYLKTEBLRQZ-VWLOTQADSA-N 485.496 5.211 50 10 JKGE N#CC1=C(N)Oc2cc(OC(=O)c3ccc(Cl)cc3Cl)ccc2[C@H]1c1cccc2ccccc12 38657738 BXQXGMBSGXQTRJ-RUZDIDTESA-N 487.342 6.584 50 10 JKGE C=CCOc1ccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)Cc4ccc(Cl)cc4)ccc32)cc1 38658269 MZBJDXMABVKLQM-AREMUKBSSA-N 472.928 5.271 50 10 JKGE COc1ccccc1C(=O)Oc1ccc2c(c1)OC(N)=C(C#N)[C@@H]2c1cccc(Oc2ccccc2)c1 38660763 PSCAYQNGCKVULE-MUUNZHRXSA-N 490.515 5.925 50 10 JKGE CS(=O)(=O)c1cccc([C@@H](Br)c2cc(Br)ccc2Br)c1 40280648 LMMVBBXWHIJWBY-CQSZACIVSA-N 483.019 5.099 50 10 JKGE Cc1c(C(=O)Nc2cccc3ncccc23)oc2c1/C(=N/NC(=O)c1ccccc1Cl)CCC2 40812774 RNZPGGPNNTUPRK-MWAVMZGNSA-N 472.932 5.512 50 10 JKGE Cc1c(C(=O)NCc2ccccc2Cl)oc2c1/C(=N/NC(=O)c1ccc3ccccc3n1)CCC2 40825720 KBOTZJMESVISKK-NJZRLIGZSA-N 486.959 5.190 50 10 JKGE COc1cc(/C=N/NC(=O)[C@H](C)Oc2ccc(-c3ccccc3)cc2)ccc1OCc1ccccc1C 40959697 VGEXUCBYZDACDA-VCZNVQPKSA-N 494.591 6.167 50 10 JKGE COc1cc(/C=N/NC(=O)[C@H](C)Oc2ccc(C(C)(C)C)cc2)ccc1OCc1ccccc1 40961444 NFWSKBFBLMZIJL-MJDZGMBVSA-N 460.574 5.489 50 10 JKGE CCOc1ccc([C@@H](O)CCC(=O)N/N=C/c2ccc(-c3ccc(Cl)cc3Cl)o2)cc1 58892760 XCKAFQOYSWMLAB-WMPMWDHYSA-N 461.345 5.616 50 10 JKGE CCOc1ccc([C@H](O)CCC(=O)N/N=C\c2cc(C)n(-c3ccccc3Br)c2C)cc1 58894370 CEYFPUQNRCVOEW-YMCFUUGVSA-N 498.421 5.219 50 10 JKGE Cc1ccc(COc2ccc(Br)cc2/C=N/NC(=O)c2cc3ccccc3o2)cc1 59303751 XQNPSHYPFCDDOJ-VULFUBBASA-N 463.331 5.847 50 10 JKGE N#C/C(=C/c1ccc(Br)cc1)c1nc(-c2cc3c(ccc4ccccc43)oc2=O)cs1 97386020 REQRUECPWPXPKD-BOPFTXTBSA-N 485.362 6.896 50 10 JKGE CC1(C)OC(=O)C(Cc2ccc(N=P(c3ccccc3)(c3ccccc3)c3ccccc3)o2)C(=O)O1 105428279 NQRWAFCWBIYSQW-UHFFFAOYSA-N 499.503 5.084 50 10 JKGE CC(C)(C)c1ccc([C@H](Br)c2cc(Br)c(Br)s2)cc1 128225265 HSNXROUGYSATSW-ZDUSSCGKSA-N 467.064 7.055 50 10 JKGE COc1cc(/C=N\NC(=O)c2nc(-c3ccccc3)sc2C)ccc1OCc1ccccc1 169927111 KDFADNXZYWPMIY-YUMHPJSZSA-N 457.555 5.470 50 10 JKGE O=C(N[C@@H](CBr)c1ccccc1)c1cc(Br)cc(Br)c1 232456961 WOMNMGPYUGVFGH-AWEZNQCLSA-N 461.979 5.078 50 10 JKGE COc1cc(C(=O)NN=Cc2c(OCc3ccc(F)cc3)ccc3ccccc23)cc(OC)c1OC 254874877 RDGRAQNQQXBTHP-UHFFFAOYSA-N 488.515 5.348 50 10 JKGE Cc1ccc([C@H](Br)c2scc(C(F)(F)F)c2Br)c(Br)c1 312269247 MFJKESVQCLLIOK-JTQLQIEISA-N 492.980 7.085 50 10 JKGE Clc1ccc([C@@H]2CN(Cc3ccccc3)C[C@@H]2CI)c(Br)c1 382684623 DQNWFEPLSIXUIJ-WMLDXEAASA-N 490.610 5.753 50 10 JKGE CC(C)(C)OC(=O)N1C[C@H](CBr)[C@H](c2ccc(Br)cc2Cl)C1 382704238 DUTAEHYUJIKUOH-GXFFZTMASA-N 453.602 5.448 50 10 JKGE CC(C)(C)OC(=O)N1C[C@@H](CCl)[C@@H](c2cc(Cl)ccc2I)C1 382720391 NDSCGICXGQHWMH-MFKMUULPSA-N 456.151 5.134 50 10 JKGE COc1ccc(Br)cc1[C@H](Br)c1ccc(OCc2ccccc2)cc1 394096569 XBNJHVKHMBIZTN-OAQYLSRUSA-N 462.181 6.521 50 10 JKGE Fc1ccc([C@@H](Br)c2cc(F)c(F)c(F)c2F)c(I)c1 395614976 NPULLZPJOOUQIB-SNVBAGLBSA-N 462.981 5.471 50 10 JKGE Cn1ncc([C@H](Cl)c2cc(Cl)c(Cl)c(Cl)c2Cl)c1I 404721847 KVMXCSHBAUSERG-SSDOTTSWSA-N 470.352 5.967 50 10 JKGE CC(C)(C)OC(=O)NCCN1c2ccccc2NC[C@@H]1c1ccc(CO[Si](C)(C)C(C)(C)C)cc1 616692592 YSBLWCHDPUZZQP-RUZDIDTESA-N 497.756 6.706 50 10 JKGE Fc1ccc2nc(CCCl)n(C[C@H]3CCN(Cc4ccccc4)C3)c2c1Br 689732495 MSPJDZIENXWMSU-INIZCTEOSA-N 450.783 5.241 50 10 JKGE Cc1cc([C@@H](Br)Cc2ccc(Br)cc2F)c(C)cc1Br 692793501 VMWIKBPNHBHMGA-HNNXBMFYSA-N 464.998 6.646 50 10 JKGE Fc1cccc(COc2c(F)cc(Br)cc2CBr)c1Br 715825712 FKWGPJCKXFJSTM-UHFFFAOYSA-N 470.933 5.964 50 10 JKGE Fc1cc(F)c(F)c([C@@H](Br)c2cccc(F)c2I)c1F 721717868 DQDADNYKIHFTCL-JTQLQIEISA-N 462.981 5.471 50 10 JKGE O=C(NCCc1ccccc1)[C@@H](c1cccs1)N(C(=O)CCl)c1cccc(C(F)(F)F)c1 725237154 AECGSDVXKISVBB-OAQYLSRUSA-N 480.939 5.439 50 10 JKGE CCOc1cc(/C=C(/C#N)C(=O)Nc2cccc(C)c2)cc(Cl)c1OCc1ccc(F)cc1 725435539 ZTDMUFWYOGONQB-NDENLUEZSA-N 464.924 6.311 50 10 JKGE CCc1ccccc1NC(=O)/C(C#N)=C\c1ccc(OCc2ccc(Cl)c(Cl)c2)cc1 1084538809 AMFXSOKEKZRTFT-MOSHPQCFSA-N 451.353 6.680 50 10 JKGE CCCCCCOc1ccc([C@@H]2CN(Cc3ccccc3)C[C@@H]2CI)cc1 1614620762 VUFMDEYNMMOPNK-UPVQGACJSA-N 477.430 6.296 50 10 JKGE Cc1c(C(=O)Nc2ccc(Cl)c(Cl)c2)oc2c1C(=NNC(=O)c1ccncc1)CCC2 1772745502 CPCFGMATEJCBGY-UHFFFAOYSA-N 457.317 5.013 50 10 JKGE Cc1c(C(=O)NCc2ccccc2)oc2c1C(=NNC(=O)C(c1ccccc1)c1ccccc1)CCC2 1772749104 QFNYQHMMYWEXNI-UHFFFAOYSA-N 491.591 5.507 50 10 JKGE Cc1c(C(=O)Oc2cccnc2)oc2c1C(=NNC(=O)C(c1ccccc1)c1ccccc1)CCC2 1772749711 YCVLQYLRUICULP-UHFFFAOYSA-N 479.536 5.191 50 10 JKGE N#CC1=C(N)Oc2c(c(-c3ccccc3)nn2Cc2cccc(Cl)c2)[C@@H]1c1cccc(O)c1 1865681178 HAKLMFQFCAJXAZ-JOCHJYFZSA-N 454.917 5.176 50 10 JKGE N#CC1=C(N)Oc2c(c(-c3ccccc3)nn2-c2cccc(Cl)c2)[C@@H]1c1ccc(Cl)cc1 1865683783 PKOISMRYKTXGJW-OAQYLSRUSA-N 459.336 6.064 50 10 JKGE CCCc1nn(-c2ccc(Cl)c(Cl)c2)c2c1[C@@H](c1c(Cl)cccc1Cl)C(C#N)=C(N)O2 1865684902 AOVAZCMIHJCWHY-GOSISDBHSA-N 494.209 6.657 50 10 JKGE Cc1ccc(O)c([C@@H]2C(C#N)=C(N)Oc3c2c(C(F)(F)F)nn3Cc2ccc(Cl)c(Cl)c2)c1 1865686823 BSKWESAIKHGQMF-QGZVFWFLSA-N 495.288 5.489 50 10 JKGE Cc1ccc(O)c([C@H]2C(C#N)=C(N)Oc3c2c(-c2ccccc2)nn3-c2ccccc2Cl)c1 1865687573 VEDUOGQVWQGJON-QFIPXVFZSA-N 454.917 5.425 50 10 JKGE CCCn1nc(CC)c2c1OC(N)=C(C#N)[C@H]2c1ccc(OCc2ccc(C)cc2)c(OCC)c1 1865688440 RZRSFACLDRBGHD-RUZDIDTESA-N 472.589 5.360 50 10 JKGE CCCc1nn(CCC)c2c1[C@H](c1ccc(OCCCc3ccccc3)c(OC)c1)C(C#N)=C(N)O2 1865696101 CEENFXUAEYEWEV-AREMUKBSSA-N 486.616 5.484 50 10 JKGE Cc1ccc(Cn2nc(-c3ccccc3)c3c2OC(N)=C(C#N)[C@@H]3c2c[nH]c3ccccc23)cc1 1865699842 DRQNZJAMYHORLC-RUZDIDTESA-N 457.537 5.606 50 10 JKGE Cc1ccccc1[C@H]1C(C#N)=C(N)Oc2c1c(-c1ccccc1)nn2Cc1c(F)cccc1Cl 1865713277 VOFNZUOYNYFJQO-QHCPKHFHSA-N 470.935 5.918 50 10 JKGE COc1ccc(/C=C(\C#N)C(=O)Nc2nc(-c3ccc(Br)cc3)cs2)cc1OC 1866132822 BJCRJTRPTWBHNW-OQLLNIDSSA-N 470.348 5.135 50 10 JKGE CC[C@@H](C)[C@@H](/C(O)=C(\C#N)c1nc(-c2cccc(OC)c2)cs1)N1C(=O)c2ccccc2C1=O 1872744270 JXSCWXKQPOZLEA-XWODFAMDSA-N 473.554 5.322 50 10 JKGE N#C/C(=C(/O)C(c1ccccc1)c1ccccc1)c1nc(-c2cccc(Br)c2)cs1 1872746122 SVPLGIBHTQSJRX-FLFQWRMESA-N 473.395 7.197 50 10 JKGE CCc1cccc(CC)c1N1C[C@H](/C(O)=C(\C#N)c2nc(-c3ccc(C)cc3)cs2)CC1=O 1872749400 PMUXXBAJVFKUFM-LXAYZEPESA-N 457.599 6.089 50 10 JKGE COc1cc(C)c(-c2csc(/C(C#N)=C(\O)CCCOc3ccccc3Cl)n2)cc1C 1872757983 FUNAUTSFJQXUHL-UZYVYHOESA-N 454.979 6.741 50 10 JKGE CCCOc1ccc(/C=C(\C#N)c2nc(-c3cc(OC)ccc3OC)cs2)cc1OCC 1872791494 JEXQJFVGICXPNP-LDADJPATSA-N 450.560 6.079 50 10 JKGE COc1cc(/C=C/C(O)=C(\C#N)c2nc(-c3ccc(F)cc3F)cs2)cc(OC)c1OC 1872818141 OFJDTHGZPMNZNZ-NHPATHQUSA-N 456.470 5.620 50 10 JKGE CCCCCCCCCOc1ccc(/C=N/NC(=O)[C@@H]2CCCN2C(=O)OC(C)(C)C)cc1Cl 1873794841 CUNKBXIIFRYPPV-RTJYLNGCSA-N 494.076 6.319 50 10 JKGE Clc1cc(I)c([C@H](Br)C2CC(Br)C2)s1 1888108425 MJTPZSFKLPILRH-MPKXYMLHSA-N 470.395 5.616 50 10 JKGE C[C@H](CCl)N(Cc1ccccc1)C(=O)c1scc(Br)c1Br 1914229639 OYELRXDOFKAMJP-SNVBAGLBSA-N 451.611 5.543 50 10 JKGE Cc1ccc(C(=O)N(Cc2ccccc2)[C@@H](CBr)C(C)C)c(Br)c1 1915297028 BDEPXMWHUMSZMI-IBGZPJMESA-N 453.218 5.819 50 10 JKGE CC(C)[C@H](CBr)N(Cc1ccccc1)C(=O)c1ccc(Br)c(F)c1 1915297872 MCMIGFFQDGDONG-SFHVURJKSA-N 457.181 5.650 50 10 JKGE CC(C)[C@H](CCl)N(Cc1ccccc1)C(=O)c1cc(C(F)(F)F)ccc1Br 1915303572 SIGXITJCCIALMT-SFHVURJKSA-N 462.737 6.374 50 10 JKGE CC[C@@H](CC(F)(F)F)[C@H](Br)c1sc(Br)c(C)c1Br 1922894765 OCJXCRNJPNTWKR-XPUUQOCRSA-N 472.990 6.996 50 10 JKGE Cc1cc(F)ccc1[C@@H](Br)c1sc(Br)c(C)c1Br 1922946225 PDMZAPMLXDOYLD-LLVKDONJSA-N 457.000 6.513 50 10 JKGE Cc1cc([C@@H](Cl)c2c(Br)sc(Br)c2Cl)c(F)cc1F 1923066087 LNZQONMVRYSHAU-SECBINFHSA-N 450.957 6.841 50 10 JKGE CC(C)CC1([C@H](Br)c2c(Br)sc(Br)c2Cl)CCCC1 1923068656 VBQRQDAIOYELHA-LLVKDONJSA-N 493.530 7.969 50 10 JKGE C[C@H](C1CCCCC1)[C@@H](Br)c1c(Br)sc(Br)c1Cl 1923910223 VCRNTEJVUGHSFX-GMSGAONNSA-N 479.503 7.579 50 10 JKGE C[C@@H]1CC[C@@H]([C@@H](Cl)c2c(Br)sc(Br)c2Br)C1 1924570942 NVZZWILZJWSNEG-HCVRKRLWSA-N 451.449 6.752 50 10 JKGE Cc1ccc(F)cc1[C@H](Cl)c1c(Br)sc(Br)c1Br 1924586218 VLXYFYJOTPXYFV-JTQLQIEISA-N 477.418 6.811 50 10 JKGE Clc1sc(Cl)c([C@@H](Br)c2ccc(I)cc2)c1Cl 1925569421 UAUWJHNDHIVQMH-QMMMGPOBSA-N 482.395 6.797 50 10 JKGE C[C@@H]1CN(c2ccc(CBr)cc2Br)[C@H](C)CN1Cc1ccccc1 1946783276 NXHXNTMHXGBUBT-HZPDHXFCSA-N 452.234 5.443 50 10 JKGE C[C@H]1CN(Cc2ccccc2)[C@H](C)CN1c1ccc(Br)cc1CBr 1946783428 PKZZCEATDBTUNM-CVEARBPZSA-N 452.234 5.443 50 10 JKGE Cc1sc(Br)c([C@H](Cl)c2cc(Br)c(Br)s2)c1C 1951014754 OLZBPJWHXNUHQM-SECBINFHSA-N 479.484 7.042 50 10 JKGE FC(F)C(F)(F)C[C@H](Cl)c1c(Br)sc(Br)c1Br 2001809515 TYCJIMOOXXNUMR-REOHCLBHSA-N 483.344 6.606 50 10 JKGE Cc1c(Br)ccc([C@@H](Br)c2ccoc2Br)c1Br 2024295618 SRYGNOPOTCEKPY-LLVKDONJSA-N 487.811 6.360 50 10 JKGE Cc1cc([C@@H](Br)c2csc(Br)c2Br)c(Cl)cc1F 2032958842 NFCOFZYKTSPIEN-SNVBAGLBSA-N 477.418 6.858 50 10 JKGE COc1sc([C@@H](Cl)c2cc(Cl)ccc2I)cc1Br 2034630257 UTHRJQSSZAHJRF-NSHDSACASA-N 477.976 6.105 50 10 JKGE COc1cc(C=C(C#N)c2nnc3n2CCCCC3)ccc1OCC(=O)Nc1c(C)cc(C)cc1C 2040446251 DTJRDUGPZWOJBD-UHFFFAOYSA-N 485.588 5.020 50 10 JKGE CC(C)(C)OC(=O)N1CCC[C@](CI)(OC2CC3(CCCCC3)C2)C1 2073138619 OVIDMPJUISJHNS-HXUWFJFHSA-N 463.400 5.321 50 10 JKGE CC(C)Cc1ccc([C@@H](Cl)c2cc(Br)ccc2I)s1 2087338501 LZDOYWXNTKJEPN-HNNXBMFYSA-N 469.613 6.642 50 10 JKGE Clc1c(Br)cccc1COc1ccc(Br)c(CBr)c1 2110525939 JVCWGOAMDZEGSX-UHFFFAOYSA-N 469.398 6.339 50 10 JKGE Fc1ccc(Br)c(F)c1C[C@H](Br)c1cccc(Br)c1 2113488875 IUHYIGPIPBNROR-LBPRGKRZSA-N 454.934 6.169 50 10 JKGE Cc1ccc([C@@H](Br)c2c(C)nn(C)c2Br)c(C)c1Br 2129268536 XAMPLCJELPEMSQ-CYBMUJFWSA-N 451.000 5.355 50 10 JKGE Cc1cc(Br)c(C)c([C@H](Br)[C@@H]2C[C@@H]2C(C)(C)C)c1Br 2136366088 DUGILGGAQAFPQA-JRPNMDOOSA-N 453.056 6.947 50 10 JKGE CCc1nn(C)c([C@H](Br)c2c(Br)sc(C)c2C)c1Br 2138258580 RFNVAIKQEDJWQS-LLVKDONJSA-N 471.056 5.670 50 10 JKGE CCc1nn(C)c([C@H](Cl)c2ccc(Br)cc2Br)c1Br 2138867759 YMGKKILUBFTHRD-GFCCVEGCSA-N 471.418 5.598 50 10 JKGE O=C(c1cc(Br)sc1Br)N1CC2(CCC2)CC[C@@H]1CBr 2152053966 AOXHXQDXSOLWJI-SECBINFHSA-N 486.067 5.443 50 10 JKGE COCCCCN(Cc1ccccc1)S(=O)(=O)c1cc(CCl)c(Cl)cc1Cl 2152210712 BYOWBXBPYVTEHD-UHFFFAOYSA-N 450.815 5.350 50 10 JKGE COc1cc(F)c([C@@H](Br)c2cc(I)ccc2F)c(F)c1 2169667922 KNCRYCPZEZDTBB-AWEZNQCLSA-N 457.027 5.201 50 10 JKGE O=C(c1cc(Br)sc1Br)N1C[C@H](CBr)C2(CCCC2)C1 2175225414 UHPTXVWDRZMHBM-VIFPVBQESA-N 486.067 5.300 50 10 JKGE C[C@@H]1C[C@H](C(F)(F)F)N(C[C@H](CBr)C2CCC2)CCN1C(=O)OC(C)(C)C 2178264760 TUODHEUQMPJTFN-VNQPRFMTSA-N 457.375 5.060 50 10 JKGE CCCCCc1ccc([C@@H](Br)c2cccc(Br)c2Br)s1 2197262511 YWGRLRHESDETJO-INIZCTEOSA-N 481.091 7.490 50 10 JKGE Cl[C@H](Cc1sc(Br)c(Br)c1Br)C[C@H]1CCCO1 2216421637 RXCNBZFHBSRWPP-NKWVEPMBSA-N 467.448 5.755 50 10 JKGE Cc1c(Br)sc([C@@H](Cl)Cc2ccccc2I)c1C 2218783503 XLWPCRNNIQOCTL-NSHDSACASA-N 455.586 6.255 50 10 JKGE BrC[C@H](Cc1ccccc1Br)Cc1cscc1Br 2219912330 AZHHFYHPRBNTRF-SNVBAGLBSA-N 453.037 6.069 50 10 JKGE Cc1cc(Br)c([C@@H](Br)c2ccsc2C)c(C)c1Br 2220143246 RQJWJIBOGKGDEC-AWEZNQCLSA-N 453.037 6.683 50 10 JKGE CO[C@@H]1CC[C@@H]([C@@H](Br)c2c(Br)cc(C)c(Br)c2C)C1 2227349742 DSBOBYUUHCLETM-UEKVPHQBSA-N 455.028 6.080 50 10 JKGE Cc1sc(Br)c([C@H](Cl)c2c(Br)cc(Cl)c(Cl)c2Cl)c1C 2232514061 SWWCUHMNXAMOSY-NSHDSACASA-N 497.894 8.178 50 10 JKGE COc1cc(Br)c([C@H](Br)c2ccc(Cl)cc2Br)cc1C 2236008819 NJMNNXCVHPTLHV-OAHLLOKOSA-N 483.425 6.666 50 10 JKGE Fc1cc(Br)c(Cl)cc1[C@H](Cl)Cc1ccc(Br)cc1Cl 2237451013 NSMHOXXIDDLLNU-GFCCVEGCSA-N 461.383 7.180 50 10 JKGE Cc1sc([C@H](Br)c2cc3c(cc2Br)OCC3)c(Br)c1C 2237629082 DTNNFFBMLUXVOW-CQSZACIVSA-N 481.047 6.309 50 10 JKGE Fc1cc(Cl)c([C@H](Br)c2ccc(Cl)c(I)c2)cc1F 2268277990 MWLRTRWOVWYWLB-CYBMUJFWSA-N 477.901 6.361 50 10 JKGE C[C@@H](CC(C)(C)C)[C@H](Br)c1c(F)cc(Br)c(F)c1Br 2272853300 ADZBBOUHQBEWLP-CPCISQLKSA-N 462.998 6.998 50 10 JKGE Fc1cc([C@H](Cl)c2cc(Br)c(Br)cc2F)c(F)cc1Br 2282089527 BOBXMDHLURYZOX-CYBMUJFWSA-N 493.342 6.720 50 10 JKGE Cc1c(Br)ccc([C@@H](Cl)c2cc(F)c(Br)cc2F)c1Br 2282091421 WHFBEBIYPHVYMJ-CQSZACIVSA-N 489.379 6.889 50 10 JKGE COc1ccc([C@H](Br)Cc2c(F)cccc2Cl)cc1I 2284997307 FQQPITSEJCYBFX-LLVKDONJSA-N 469.519 5.771 50 10 JKGE COc1ccc(-c2nnc(SCC(=O)NN=CC=Cc3ccccc3)n2-c2ccc(C)cc2)cc1 2293730010 JCWHWEZMJBYAOM-UHFFFAOYSA-N 483.597 5.159 50 10 JKGE CCOC(=O)c1c(-c2ccc(C)cc2)csc1NC(=O)C(C#N)=Cc1cccc([N+](=O)[O-])c1 2296500447 QCPDBFRSMNCJMB-UHFFFAOYSA-N 461.499 5.354 50 10 JKGE COc1cc(C=C(C#N)c2nc(-c3ccc(Br)cc3)cs2)cc(Br)c1O 2296768630 OIFWRNVCHPCWBB-UHFFFAOYSA-N 492.192 6.113 50 10 JKGE CC[C@@H](C)C[C@H](Br)c1c(Cl)cc(Br)c(F)c1Br 2300179002 OEECXJPIBAQNHU-RQJHMYQMSA-N 451.399 6.876 50 10 JKGE Brc1ccc(I)cc1CO[C@@H]1CCCC[C@H]1Br 2302814076 MQCYPTUPLWFGBF-CHWSQXEVSA-N 473.974 5.276 50 10 JKGE CCOc1cc(C=C(C#N)C(=O)Nc2cccc(Cl)c2Cl)cc(Br)c1OCC 2313570693 DETHROKUUQNFOC-UHFFFAOYSA-N 484.177 6.099 50 10 JKGE N#CC(=Cc1cc(Br)ccc1OCc1ccccc1F)C(=O)Nc1ccc(Cl)cc1 2313630714 FKRNLEBVWAVESL-UHFFFAOYSA-N 485.740 6.366 50 10 JKGE N#CC(=Cc1cc(Cl)ccc1OCc1ccc(F)cc1)C(=O)Nc1cccc([N+](=O)[O-])c1 2313730268 LICUSWKXEIFQIY-UHFFFAOYSA-N 451.841 5.512 50 10 JKGE Fc1cc(Cl)c(Br)c(Cl)c1[C@@H](Cl)c1csnc1Br 2313740601 NCRBEHZWBAAJRZ-QMMMGPOBSA-N 454.373 6.442 50 10 JKGE CCc1ccc(N2C(=O)[C@H](Cc3ccccc3)SC2=C(C#N)C(=O)N[C@H](C)c2ccccc2)cc1 2314593063 GUKKGPPGKPXGAG-IBVKSMDESA-N 481.621 5.553 50 10 JKGE CC1=C(C#N)C(=O)N(Cc2ccccc2Cl)C(=O)C1=Cc1ccc(-c2ccccc2[N+](=O)[O-])o1 2314620957 XCQXPYPDLZLXCX-UHFFFAOYSA-N 473.872 5.301 50 10 JKGE COc1ccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)C=Cc4ccccc4Cl)ccc32)c(OC)c1 2314634596 MGFZVOBVXIQTSZ-SANMLTNESA-N 488.927 5.194 50 10 JKGE Clc1cc(I)c([C@@H](Br)c2csc3ccccc23)s1 2316599013 LFLXYAKTENCWKQ-LBPRGKRZSA-N 469.594 6.705 50 10 JKGE FC(F)(F)c1cnc(N[C@H](CCCl)COCc2ccccc2)c(I)c1 2320543698 SBSZLXCLFSYIQL-CQSZACIVSA-N 484.687 5.331 50 10 JKGE N#CC(=C(O)CCN1C(=O)c2ccccc2C1=O)c1nc(-c2ccc(Br)cc2)cs1 2331259730 UXJWQJMESSZDBZ-UHFFFAOYSA-N 480.343 5.052 50 10 JKGE CC(C)c1ccc(O[C@@H](C)C(O)=C(C#N)c2nc(-c3cccc(Br)c3)cs2)cc1 2331278690 CBSOSCSHUNVZSO-HNNXBMFYSA-N 469.404 6.956 50 10 JKGE Cc1ccc(C)c(-c2csc(C(C#N)=C(O)c3ccc(N4C(=O)c5ccccc5C4=O)cc3)n2)c1 2331319640 SZQVRASPDNITKR-UHFFFAOYSA-N 477.545 6.177 50 10 JKGE COc1ccc(-c2csc(C(C#N)=C(O)[C@H]3CC(=O)N([C@@H](C)c4ccccc4)C3)n2)cc1Cl 2331398319 HJHJOQARDAHSFF-YJBOKZPZSA-N 479.989 5.874 50 10 JKGE CCCOc1c(Br)cc(C=C(C#N)c2nc(-c3ccc(F)cc3F)cs2)cc1OC 2331435993 ADPAIUSCFMLCFT-UHFFFAOYSA-N 491.357 6.712 50 10 JKGE COc1c(Cl)cc(-c2csc(C(C#N)=Cc3cc(Br)ccc3O)n2)cc1Cl 2331480410 ORIKUIFDPVNOIR-UHFFFAOYSA-N 482.186 6.658 50 10 JKGE Cc1cc(F)c(Cl)cc1[C@H](Br)c1ccc(Cl)cc1I 2340067019 XBPZXKCHQWWYRS-CQSZACIVSA-N 473.938 6.530 50 10 JKGE COCc1ccc([C@@H](Br)c2cc(Br)c(Br)cc2F)s1 2342279588 AFBBAHDSYDMXAZ-ZDUSSCGKSA-N 472.999 6.043 50 10 JKGE Cc1cc(Br)c([C@H](Br)[C@]23C[C@H](C[C@@H](C)O2)C3)cc1Br 2342805340 LXXJORYOPAMPIP-RPVFDAQASA-N 453.012 5.914 50 10 JKGE COc1cc(F)c(CO[C@]2(CBr)CCCN(C(=O)OC(C)(C)C)C2)c(Cl)c1 2364649254 ZDWPOKBRXYYTLW-IBGZPJMESA-N 466.775 5.169 50 10 JKGE Cc1cc(Br)c(F)c(Br)c1[C@H](Br)c1cccc(Cl)c1C 2365184830 GIOGXGHLCMLJKD-CYBMUJFWSA-N 485.416 7.105 50 10 JKGE Cc1cc(Br)c(F)c(Br)c1[C@H](Br)[C@H]1COC2(CCC2)C1 2365228068 MEPKUEKJYBPAMD-BXKDBHETSA-N 471.002 6.054 50 10 JKGE COc1cc(CBr)ccc1OCc1ccc(Cl)cc1I 2366729403 LBMVNQBXKOYIGD-UHFFFAOYSA-N 467.528 5.427 50 10 JKGE Cc1cc(Br)c([C@H](Br)[C@H]2CC[C@@H]2C(C)(C)C)c(C)c1Br 2369221758 QXIFGIQNVGFLHS-MQIPJXDCSA-N 467.083 7.337 50 10 JKGE O=C(OCc1ccccc1)N1CC(Nc2ccc(S(F)(F)(F)(F)F)cc2)(C(=O)O)C1 2372655927 JGWILMUIYWCQAB-UHFFFAOYSA-N 452.401 5.232 50 10 JKGE CC(C)(C)Oc1ccc([C@@H](Br)c2sncc2Br)cc1Br 2381320142 SEPFMIKRRQCKDN-GFCCVEGCSA-N 484.051 6.330 50 10 JKGE CCOc1cc(/C=C(/C#N)c2nn(-c3ccccc3)c(N)c2C#N)ccc1OCc1ccc(Cl)cc1 6600590 NJVTXSVPEUEKGI-STZFKDTASA-N 495.970 6.021 50 10 JKGE COc1ccc(/C(C)=N\NC(=O)c2ccc(CSc3nc4ccccc4s3)cc2)c(O)c1 12498781 GIWZVGTXOKWVAE-YSMPRRRNSA-N 463.584 5.457 50 10 JKGE O=C(CCC(=O)Nc1ccc(Cl)cc1Cl)NNC(=O)c1sc2ccccc2c1Cl 12581409 WNCFYOOSQUFELM-UHFFFAOYSA-N 470.765 5.041 50 10 JKGE COc1cc(/C=C(/C#N)c2ccccc2F)ccc1OC(=O)C(c1ccccc1)c1ccccc1 31901726 JMUVCJZDOBDQSD-MOHJPFBDSA-N 463.508 6.636 50 10 JKGE COc1ccc(/C(C#N)=C\c2cccc(OC(=O)/C=C/c3ccc(C(C)C)cc3)c2)cc1OC 31902962 HACXQUVSXWSDJN-FUPWBYONSA-N 453.538 6.510 50 10 JKGE CCOc1ccc(-c2csc(/C(C#N)=C\c3cc4cc(Br)ccc4nc3Cl)n2)cc1 33391407 QSOVBMJOCPZBLO-YVLHZVERSA-N 496.817 7.237 50 10 JKGE CC[C@@H](C)c1nc(N2CCN(C(=O)C(C)(C)CCl)CC2)c2c3c(sc2n1)CCCCC3 35892369 REUNWFDGSALLRP-MRXNPFEDSA-N 463.091 5.387 50 10 JKGE N#CC(C(=O)CSc1nc(-c2ccccc2)c2cc(Cl)ccc2n1)=C1Nc2ccccc2N1 38257059 NZROEWDJWDXVDJ-UHFFFAOYSA-N 469.957 5.884 50 10 JKGE C=CCN1C(=O)C(C#N)=C(C)/C(=C\c2cn(-c3ccccc3)nc2-c2ccc(OCCCC)cc2)C1=O 38607627 RFOPERNZGIUKHL-NLRVBDNBSA-N 492.579 5.496 50 10 JKGE CCOc1ccc(C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@@H]3c2ccc(C(C)(C)C)cc2)cc1 38649745 MPNMHEWQDGQBJZ-AREMUKBSSA-N 468.553 5.820 50 10 JKGE CCCCOc1ccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)COc4ccc(F)cc4)ccc32)cc1 38650772 XADPPGKOWMAKSU-MHZLTWQESA-N 488.515 5.207 50 10 JKGE N#CC1=C(N)Oc2cc(OC(=O)COc3ccc(Cl)cc3)ccc2[C@@H]1c1cccc(Cl)c1 38651140 XDKPHTNOAJVWBT-QHCPKHFHSA-N 467.308 5.196 50 10 JKGE CCCCCOc1ccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4ccc(Cl)cc4)ccc32)cc1 38685292 BEVAKORDPABFOH-SANMLTNESA-N 488.971 6.346 50 10 JKGE Cc1c(C(=O)Oc2cccc3ccccc23)oc2c1/C(=N/NC(=O)c1ccc([N+](=O)[O-])cc1)CCC2 40812247 YLFZBLFESREIRS-SGWCAAJKSA-N 483.480 5.339 50 10 JKGE CCCCOc1ccc(/C=C(\C#N)C(=O)Nc2nc(-c3ccc(OCC)cc3)c(C)s2)cc1 41013289 SBVDSCORBMOFIE-LTGZKZEYSA-N 461.587 6.242 50 10 JKGE COc1c(C(=O)N/N=C2/C(=O)N(Cc3cccc4ccccc34)c3ccccc32)ccc2ccccc12 59166654 CMOXZWKQKUJMHO-VEWQFJOQSA-N 485.543 5.683 50 10 JKGE CCOc1ccc(/C=N/NC(=O)c2cc3cc(Br)ccc3o2)cc1Br 59304252 HMNMNSJUSFFBRE-UFFVCSGVSA-N 466.129 5.120 50 10 JKGE CCOC(=O)c1cc(C)sc1NC(=O)/C(C#N)=C\c1cccn1Cc1ccc(Cl)cc1Cl 96437772 VCDRNGYSUDUCOQ-YBEGLDIGSA-N 488.396 5.936 50 10 JKGE CCCCOc1ccc([C@@H](C(=O)NC2CCCCC2)N(CCC2=CCCCC2)C(=O)CCl)cc1 97915107 SWKCSFLESNIWKS-MHZLTWQESA-N 489.100 6.313 50 10 JKGE CCCCCCCCOc1ccc(/C=N/NC(=O)[C@H](C)Oc2ccc(Cl)cc2Cl)cc1 103741137 BFXBMQNJMNBMJV-CICSQNLLSA-N 465.421 6.650 50 10 JKGE Brc1ccc(Br)c([C@@H](Br)C23CC4CC(CC(C4)C2)C3)c1 109844966 YHANNLLCNVMTOJ-CFADKHTPSA-N 463.051 6.864 50 10 JKGE C[C@H](Cl)c1nc2cc(Cl)c(Cl)cc2n1-c1ccccc1I 125168283 FVDBILGTQHEBQB-QMMMGPOBSA-N 451.522 6.237 50 10 JKGE CCOc1ccc([C@H](Br)c2ccc(Br)s2)c(Br)c1 126702683 LZXXZOQFTHKGTB-ZDUSSCGKSA-N 455.009 6.156 50 10 JKGE Cc1cc([C@H](Br)c2ccc(Br)c(Cl)c2)c(C)cc1Br 148978897 YESPPPDRWSHGPZ-OAHLLOKOSA-N 467.426 6.966 50 10 JKGE Clc1ccc([C@@H](Br)c2csc3c(Br)cccc23)cc1Cl 163509098 YQEBCUQDABZEKZ-CQSZACIVSA-N 451.010 7.455 50 10 JKGE BrCC(CBr)(Cc1ccccc1)Cc1ccc(Br)cn1 169002502 CGQUORBLXPUJQA-UHFFFAOYSA-N 462.023 5.406 50 10 JKGE CCOC(=O)c1cnn(-c2cc(C)c3cc(C)cc(C)c3n2)c1NC(=O)/C(C#N)=C/c1ccccc1 170536581 VGWMQYCXAHKYNB-KGENOOAVSA-N 479.540 5.068 50 10 JKGE COc1ccc([C@@H](Cl)c2cc(Cl)ccc2I)c(Br)c1 234977944 IEUFNLGYLHGMCQ-CQSZACIVSA-N 471.947 6.044 50 10 JKGE COc1ccc(C=NNC(=O)c2cc(-c3ccccc3OCc3cccc4ccccc34)[nH]n2)cc1 254876256 GOKHZNCAQPLUNL-UHFFFAOYSA-N 476.536 5.581 50 10 JKGE COc1ccc([C@H](Br)c2sccc2I)c(Br)c1 310099064 MONYLBJFYVDDHH-NSHDSACASA-N 487.982 5.608 50 10 JKGE CC(C)c1ccc([C@@H](Br)c2sccc2I)c(C(C)C)c1 312320679 GIGKLRLUWHCVFT-MRXNPFEDSA-N 463.222 7.084 50 10 JKGE Cc1c(Cl)cccc1[C@@H](Br)c1cc(I)cc2c1OCC2 312372895 PZVFHIZPKKHGDY-OAHLLOKOSA-N 463.540 5.672 50 10 JKGE Cc1cc(C)c([C@H](Br)c2ccc(Cl)c(Br)c2)c(C)c1Br 381923852 MMVAIXIKYKJLPG-MRXNPFEDSA-N 481.453 7.275 50 10 JKGE O=C(OCc1ccccc1)N1C[C@@H](CI)[C@H](c2c(F)cccc2Cl)C1 382696217 KVYIYYMXQYAGKF-HUUCEWRRSA-N 473.713 5.266 50 10 JKGE Clc1ccc(I)c(COc2cccc(CBr)c2Cl)c1 405307427 RCWMURJJWLUYQH-UHFFFAOYSA-N 471.947 6.072 50 10 JKGE COc1cc(C)c(Br)cc1[C@H](Br)Cc1ccccc1Br 692449548 TZJSFUMGTWTVKI-OAHLLOKOSA-N 463.007 6.207 50 10 JKGE FC(F)(F)C(F)(F)C[C@H](Br)c1cc(Br)c(Br)s1 713274126 HHMJGDKSLZGHEV-BYPYZUCNSA-N 466.889 6.297 50 10 JKGE CC1(C)[C@H](OCc2ccccc2)C[C@H]1n1c(CCCl)nc2cc(I)ccc21 718079057 NQNKEOYTKBMJLG-WOJBJXKFSA-N 494.804 5.979 50 10 JKGE C[C@@H]1Cc2cc(Br)cc([C@@H](Br)c3occc3Br)c2O1 720030976 GQQZFENWSTYXRP-JMCQJSRRSA-N 450.952 5.612 50 10 JKGE Cc1ccc(C(C)C)c(OCC(=O)NN=C2C(=O)N(C/C=C/c3ccccc3)c3ccccc32)c1 1083846976 YNSZMLZYKDIPLZ-IZQOPFDRSA-N 467.569 5.078 50 10 JKGE CC[C@@H]1CCCC1=NNC(=O)COc1ccc2cc(Br)ccc2c1Br 1084036291 KNTCGENDVCKSBF-GFCCVEGCSA-N 468.189 5.426 50 10 JKGE CCN(CC)c1ccc(C=NNC(=O)c2ccc(NC(=O)c3ccc(C(C)(C)C)cc3)cc2)cc1 1084171245 QPXQOOYOMZPSHM-UHFFFAOYSA-N 470.617 5.847 50 10 JKGE O=C(NN=Cc1ccccc1OC(=O)c1ccc(Cl)cc1)c1ccc(NC(=O)c2ccccc2)cc1 1084471525 VVFOESMXDDOECU-UHFFFAOYSA-N 497.938 5.575 50 10 JKGE N#CSc1ccc(NC(=O)C2CCN(C(=O)C(c3ccccc3)c3ccccc3)CC2)cc1 1860589007 ZXSAQBNWYMICDH-UHFFFAOYSA-N 455.583 5.269 50 10 JKGE CCCc1nn(-c2ccc(Cl)c(Cl)c2)c2c1[C@@H](c1cccc3ccccc13)C(C#N)=C(N)O2 1865681973 CFGJLEUSWQMVBW-QHCPKHFHSA-N 475.379 6.503 50 10 JKGE COc1ccc(-c2nn(-c3ccc(C)cc3)c3c2[C@H](c2cccc(Cl)c2)C(C#N)=C(N)O3)cc1 1865683712 NNFBJRQJHZVTCO-HSZRJFAPSA-N 468.944 5.728 50 10 JKGE CCCc1nn(-c2ccccc2Cl)c2c1[C@@H](c1cccc(Br)c1)C(C#N)=C(N)O2 1865684628 UHJOHARDAGVLDO-IBGZPJMESA-N 469.770 5.459 50 10 JKGE CCc1nn(-c2ccc(Cl)c(Cl)c2)c2c1[C@H](c1cccc(Br)c1)C(C#N)=C(N)O2 1865684664 VGUCBIQAFDFMKV-GOSISDBHSA-N 490.188 5.722 50 10 JKGE CCCc1nn(-c2cccc3ccccc23)c2c1[C@@H](c1ccc(Cl)cc1Cl)C(C#N)=C(N)O2 1865685521 JRMJYEBEEMXLLO-QHCPKHFHSA-N 475.379 6.503 50 10 JKGE CCCc1nn(-c2ccc(Cl)c(Cl)c2)c2c1[C@@H](c1ccc(Cl)c(Cl)c1)C(C#N)=C(N)O2 1865685724 MBTSYPJZFKTQOS-IBGZPJMESA-N 494.209 6.657 50 10 JKGE CCOc1cccc([C@H]2C(C#N)=C(N)Oc3c2c(-c2ccccc2)nn3Cc2ccc(F)cc2)c1 1865690354 PFGHIKOECIOZPY-DEOSSOPVSA-N 466.516 5.354 50 10 JKGE CCOc1ccc([C@@H]2C(C#N)=C(N)Oc3c2c(-c2ccc(OC)cc2)nn3Cc2ccccc2F)cc1 1865695408 OJHQNNCRMVORDN-RUZDIDTESA-N 496.542 5.363 50 10 JKGE N#CC1=C(N)Oc2c(c(-c3ccccc3)nn2Cc2ccccc2Cl)[C@H]1c1ccc(F)cc1 1865708593 YOJTVIVBUZFLCA-QFIPXVFZSA-N 456.908 5.609 50 10 JKGE N#CC1=C(N)Oc2c(c(C(F)(F)F)nn2Cc2ccccc2Cl)[C@H]1c1ccc(C(F)(F)F)cc1 1865710858 KBXKCLAOOIQIJY-INIZCTEOSA-N 498.814 5.841 50 10 JKGE COc1cccc([C@@H]2C(C#N)=C(N)Oc3c2c(-c2ccccc2)nn3Cc2cccc(Cl)c2)c1 1865712450 YVYFGQIUGZAUFO-HSZRJFAPSA-N 468.944 5.479 50 10 JKGE Cc1nc(-c2ccc(Cl)cc2)ccc1C(=O)NNC(=O)/C=C/c1ccc(OCc2ccccc2)cc1 1865755851 TUAQRXRSSLWPPM-GIJQJNRQSA-N 497.982 5.764 50 10 JKGE Cc1ccc2nc(-c3ccc(NC(=O)/C(C#N)=C/c4ccc(Br)cc4)cc3)sc2c1 1866129013 YAXKHDRRBHOHSE-QGOAFFKASA-N 474.383 6.580 50 10 JKGE CCOC(=O)c1c(-c2ccccc2)csc1NC(=O)/C(C#N)=C/c1ccc(OCCOC)cc1 1866215424 WBCKUPRGHXJHRW-HMMYKYKNSA-N 476.554 5.163 50 10 JKGE CCCC[C@@H](NC(=O)C[C@H](c1ccc(F)cc1)C(C)C)C(=O)Nc1ccc(SC#N)cc1 1866749018 OODFKPCICMFLGA-XZOQPEGZSA-N 455.599 5.842 50 10 JKGE COc1cc(/C=C/C(O)=C(\C#N)c2nc(-c3ccc(C)c(C)c3)cs2)cc(Br)c1OC 1872756143 DYNBVVQQCBNHDS-LGIBAPSDSA-N 497.414 6.713 50 10 JKGE Cc1ccc(-c2csc(/C(C#N)=C(\O)[C@@H](CC(C)C)N3C(=O)c4ccccc4C3=O)n2)cc1C 1872756278 GXCGRXLAQHIYMT-KXNAUXDSSA-N 471.582 5.931 50 10 JKGE CCOc1cc(/C=C(\C#N)c2nc(-c3cc(C(C)(C)C)ccc3C)cs2)cc(Br)c1O 1872794192 OGJPKBVTIWREAN-RQZCQDPDSA-N 497.458 7.347 50 10 JKGE CCCCCOc1ccc(/C=C(\C#N)c2nc(-c3ccc(OC)c(Cl)c3)cs2)cc1OC 1872794604 LJOINNPKUDPSIB-XDHOZWIPSA-N 469.006 7.114 50 10 JKGE COc1cc(C)c(-c2csc(/C(C#N)=C/c3cccc(OC)c3OCc3cccc(C)c3)n2)cc1C 1872795299 YCCISFOKPCDLTR-BUVRLJJBSA-N 496.632 7.396 50 10 JKGE COc1ccc(OC)c(-c2csc(/C(C#N)=C(\O)CNC(=O)c3ccc(C(C)(C)C)cc3)n2)c1 1873920443 FQXJHNRSCGNKSW-XDOYNYLZSA-N 477.586 5.347 50 10 JKGE O=C(NC[C@H]1CC[C@H](CBr)CC1)c1ccc(Br)cc1Br 1922704967 YGXAPZFHHUAKFX-XYPYZODXSA-N 468.027 5.143 50 10 JKGE Cc1c(Br)sc([C@H](Br)c2cc3ccc(F)cc3s2)c1Br 1922887649 WHMXWBKMCHAERG-GFCCVEGCSA-N 499.062 7.420 50 10 JKGE CC(C)C(C(C)C)[C@H](Cl)c1c(Br)sc(Br)c1Br 1924583452 KGVXZVQFXYSEGI-JTQLQIEISA-N 467.492 7.244 50 10 JKGE O=C(N[C@@H](CBr)CC1CCCC1)c1cc(Cl)ccc1I 1926733737 AAOQZSPXOPVFGB-GFCCVEGCSA-N 470.576 5.018 50 10 JKGE BrCc1ccc(N(Cc2ccccc2)CC2CCCCC2)c(Br)c1 1946742113 MLYJQMXVBTUEJT-UHFFFAOYSA-N 451.246 6.931 50 10 JKGE Clc1cc(Br)c([C@@H](Cl)c2cc(Br)cc(Br)c2)s1 1948823783 RCIPVEOQUJPOKL-JTQLQIEISA-N 479.846 7.017 50 10 JKGE Cc1sc(Br)c([C@H](Br)c2cc(Br)c(Cl)s2)c1C 1951014617 MBYCAWPVSIWZDJ-SECBINFHSA-N 479.484 7.089 50 10 JKGE CCOc1c(Br)cc(C[C@H](CCl)NC(=O)OC(C)(C)C)cc1Br 1984037236 QGDDNIYBPSBMQM-LLVKDONJSA-N 471.617 5.285 50 10 JKGE CCC(C)(CC)[C@@H](Br)c1c(Br)sc(Br)c1Cl 1985603836 FKAYFJJEPZJWMG-QMMMGPOBSA-N 453.465 7.189 50 10 JKGE Cc1cc(Cl)c([C@H](Br)c2sccc2I)cc1Cl 2023203522 ZISHKPADIFGDSO-NSHDSACASA-N 461.977 6.452 50 10 JKGE COc1cccc(C[C@H](Br)c2csc(Br)c2Br)c1 2032953816 QVQXKZLBTCSBGL-NSHDSACASA-N 455.009 5.960 50 10 JKGE CC(C)C[C@H]1CN(C(=O)OC(C)(C)C)CC[C@@H]1NCCSSCCNC(=O)OC(C)(C)C 2061264975 WDGXMQCQTIVXCS-OALUTQOASA-N 491.764 5.154 50 10 JKGE Cc1c([C@H](Cl)c2c(Br)sc(Br)c2Cl)c(Br)nn1C 2067854410 FHTJCILNVRUXQK-LURJTMIESA-N 497.865 6.059 50 10 JKGE Cc1cc([C@@H](Br)c2c(Br)sc(C)c2C)ccc1Br 2082883378 FOPJXKBBXVFZCC-CYBMUJFWSA-N 453.037 6.683 50 10 JKGE Fc1cccc([C@@H](CBr)Cc2ccc(Br)cc2Br)c1 2092260829 KTJNXHGJXJFVHY-GFCCVEGCSA-N 450.971 6.072 50 10 JKGE CC(C)(C1CCCCC1)[C@@H](Br)c1cc(Br)ccc1Br 2093192120 FDWUPLFERRFRES-HNNXBMFYSA-N 453.056 7.254 50 10 JKGE Cc1c(Br)cc(CCl)cc1S(=O)(=O)N(Cc1ccccc1)CC1CCC1 2095909804 VKRISTYOKZUNLD-UHFFFAOYSA-N 456.833 5.487 50 10 JKGE CC(C)(C)N1C[C@@H](Br)[C@@H](Cc2ccc(Br)cc2Br)C1 2100732659 ZSGXYDWYEVAPCF-SMDDNHRTSA-N 454.044 5.248 50 10 JKGE Brc1ccc(Br)c(C[C@@H]2C[C@@H]3CCCC[C@H]3[C@H]2Br)c1 2118525916 ZHVNJLDRLDAQFT-JPYFCXBMSA-N 451.040 6.344 50 10 JKGE O=C(NCC[C@@H]1CCCC[C@H]1Br)c1cc(Br)c(Br)s1 2123032403 RBLGIBFMLYPMRY-DTWKUNHWSA-N 474.056 5.347 50 10 JKGE Brc1ccc([C@@H](Br)[C@@H]2CC3(CCCC3)CO2)c(Br)c1 2138874728 YPMPLDATDLDSRP-UONOGXRCSA-N 453.012 5.997 50 10 JKGE CCn1cc([C@@H](Br)c2cc(C)c(Br)cc2OC)nc1Br 2145954001 JOVYWYMRZLOYCX-ZDUSSCGKSA-N 466.999 5.229 50 10 JKGE Cc1cc(C)c([C@H](Cl)c2c(Br)cccc2Br)c(C)c1Br 2150493181 JJFQAQBDOXKWIY-INIZCTEOSA-N 481.453 7.228 50 10 JKGE FC1(F)CC12CC([C@H](Br)c1cc(I)cc3c1OCC3)C2 2154301218 SDYKHFJWWJUKPO-PEUVISTOSA-N 455.080 5.098 50 10 JKGE Cc1cc(Br)c([C@@H](Br)[C@@H]2CCCCCC2(F)F)cc1Br 2164922379 BHWDIZYBMFDZEE-SMDDNHRTSA-N 475.009 7.172 50 10 JKGE ClCc1cc(Cl)cc(Br)c1OCc1cc(Cl)cc(Br)c1 2166827406 TVHQGGQTDLESFS-UHFFFAOYSA-N 459.392 6.836 50 10 JKGE Brc1csc([C@H](Br)c2cc3c(cc2Br)OCCCO3)c1 2172564201 GAKXGWPQBJCDQA-CQSZACIVSA-N 483.019 5.919 50 10 JKGE COc1cccc([C@H](Br)CCc2cc(Br)ccc2Br)c1 2175148172 VRVDRLQKTWABGQ-OAHLLOKOSA-N 463.007 6.289 50 10 JKGE CC1(C)COc2c([C@@H](Cl)c3cc(I)sn3)cc(Br)cc21 2176541365 YMEKQHPZDTXIBY-GFCCVEGCSA-N 484.584 5.508 50 10 JKGE Cc1c(Br)ccc([C@H](Br)c2ccc3c(c2)CCC3)c1Br 2203682617 AJTBRRFNORGJKM-QGZVFWFLSA-N 459.019 6.493 50 10 JKGE Cc1sc([C@@H](Br)c2cc(Cl)c(Br)cc2F)c(C)c1Br 2226087150 YWEHRYLWALRDIP-LBPRGKRZSA-N 491.445 7.167 50 10 JKGE Cc1cc(Br)c([C@H](Br)[C@@H]2C[C@@H]3C[C@@H]3CO2)c(C)c1Br 2227373467 ZXLPMOWGDKYTCH-NPZRNVLXSA-N 453.012 5.689 50 10 JKGE Clc1cc(Br)c([C@@H](Br)[C@@H]2CC[C@H]3C[C@H]2CO3)c(Cl)c1Cl 2232518414 CAKBHQMVRFBAGA-ZNWBZCOPSA-N 463.424 6.660 50 10 JKGE CC[C@](C)(Cn1c(CCl)nc2c(F)cc(Br)cc21)N(C)Cc1ccccc1 2232925133 ZFKGKTUYSUDRJM-OAQYLSRUSA-N 452.799 5.977 50 10 JKGE Cc1c(Br)ccc([C@@H](Br)C2C[C@H]3CCC[C@H](C2)C3)c1Br 2233634707 KFMZENFHPJUOAS-PRXAMGSTSA-N 465.067 7.172 50 10 JKGE CCc1cc([C@H](Br)c2cc(Br)c(C)s2)sc1Br 2248005075 LJEFIFUJEYYKEP-NSHDSACASA-N 459.066 6.690 50 10 JKGE CC1([C@H](Br)c2cc(Br)sc2Br)CC(C(F)(F)F)C1 2253657076 XSUMPLCKHWFHLN-FDRLMODASA-N 470.974 6.688 50 10 JKGE COc1ccc([C@H](Cl)c2sc(C)cc2Br)cc1I 2257368723 RYUDFSRJQBPWKF-LBPRGKRZSA-N 457.558 5.760 50 10 JKGE Fc1cc(Cl)c([C@H](Cl)c2sc(Br)cc2Br)cc1Br 2258114822 RXOLPGLXTAVKRQ-JTQLQIEISA-N 497.836 7.156 50 10 JKGE COc1c([C@H](Br)c2ccc(Br)cc2Br)csc1C 2259123255 RVQMIERSDBDVAG-GFCCVEGCSA-N 455.009 6.074 50 10 JKGE CCc1sc(Br)cc1[C@H](Cl)Cc1cc(Br)cc(Br)c1 2277889852 BIGVOVSWNXJSJS-GFCCVEGCSA-N 487.482 7.121 50 10 JKGE CC1([C@@H](Br)Cc2cc(Br)cc(Br)c2)CCCCCC1 2277947662 IVFOOKHWZVVRQH-HNNXBMFYSA-N 453.056 6.878 50 10 JKGE COc1c([C@H](Cl)c2c(Br)cc(Cl)c(Cl)c2Cl)csc1Cl 2284302471 DGVFBQNKGMMGOB-QMMMGPOBSA-N 455.415 7.461 50 10 JKGE COc1ccc(OCCCC(=O)Oc2ccc(C=C(C#N)c3ccc(Cl)cc3)cc2OC)cc1 2293202174 OVFHZYOADPAGME-UHFFFAOYSA-N 477.944 6.186 50 10 JKGE O=C(Cc1cc(Br)cc(Br)c1)N[C@H](CBr)c1cccs1 2295311823 PNYXKLSTYWCOEL-GFCCVEGCSA-N 482.035 5.068 50 10 JKGE CC(C=NNC(=O)CCC(=O)Nc1cc(C(F)(F)F)ccc1Cl)=Cc1ccc(C(C)C)cc1 2297271805 UPHXRHHUOMDYHU-UHFFFAOYSA-N 479.930 6.406 50 10 JKGE CC(C)(C)c1ccc(CSC(Nc2ccccc2Cl)=C(C#N)S(=O)(=O)c2ccccc2)cc1 2297350062 RAWQKOVOWRFYPN-UHFFFAOYSA-N 497.085 7.149 50 10 JKGE COc1cc(C=C(C#N)c2nc(-c3ccc(Cl)c(Cl)c3)cs2)ccc1OCc1ccccc1 2297477348 QZSQFCKSDBPQAZ-UHFFFAOYSA-N 493.415 7.769 50 10 JKGE Brc1ccc(OCc2ccccc2)c([C@H](Br)[C@@H]2C[C@H]3CC[C@H]2O3)c1 2299500689 HZWDGXBFVMWZMB-QOJCHSLYSA-N 452.186 6.032 50 10 JKGE CC[C@](C)(C(F)F)[C@H](Br)c1ccc(OCc2ccccc2)cc1Br 2299828052 GTUDHYGUMIJUML-MJGOQNOKSA-N 462.172 7.146 50 10 JKGE Fc1c(Br)cc(Cl)c([C@@H](Br)[C@@H]2CCCO2)c1Br 2300168966 RKWVAZDCCJTXJW-CBAPKCEASA-N 451.355 5.619 50 10 JKGE BrCC1(Cc2ccc(I)c(Br)c2)C[C@@H]2C[C@H]2C1 2306231871 NNLXFSXNYLPOIY-QWRGUYRKSA-N 469.986 5.407 50 10 JKGE Cc1ccc(Oc2nc3ccccn3c(=O)c2C=C(C#N)C(=O)Nc2ccc(Cl)cc2)c(C)c1 2314533519 RLTJNLKTFYNQAT-UHFFFAOYSA-N 470.916 5.303 50 10 JKGE N#CC(=Cc1ccc(-c2c(Cl)cccc2Cl)o1)C(=O)Nc1ccc(C(F)(F)F)c(Cl)c1 2314572167 VBCXDSUIPZMGMI-UHFFFAOYSA-N 485.676 7.471 50 10 JKGE CCOc1ccccc1[C@H]1C(C#N)=C(N)Oc2cc(OC(=O)C=Cc3ccc(Cl)cc3)ccc21 2314634063 IPMSCOKBDAEKDS-AREMUKBSSA-N 472.928 5.576 50 10 JKGE COc1cc(C=C(C#N)c2ccccc2)ccc1OC(=O)COc1ccc2c(C)cc(=O)oc2c1 2314720300 MCLLKPMHGIWBAC-UHFFFAOYSA-N 467.477 5.159 50 10 JKGE Clc1cc(I)c([C@@H](Br)c2cc3c(s2)CCSC3)s1 2316774745 LVQQFKBBUGDHOH-NSHDSACASA-N 491.666 6.341 50 10 JKGE Cc1cc(Br)c(C(=O)N[C@H](CCBr)COCc2ccccc2)cc1Cl 2320359604 FQUFWAVLAQKSCQ-OAHLLOKOSA-N 489.635 5.511 50 10 JKGE CCOc1ccc(C=CC(=O)Oc2ccc(C=C(C#N)c3cccc(Cl)c3)cc2OC)cc1OC 2320506407 IWCBWBAZYKYZEY-UHFFFAOYSA-N 489.955 6.439 50 10 JKGE CC(C)(C)Oc1ccc(C=NNC(=O)c2ccc(Nc3nc(O)c4ccccc4n3)cc2)cc1 2323766235 OUWCZMCXLYRQRT-UHFFFAOYSA-N 455.518 5.020 50 10 JKGE N#CC(=C(O)CCCCCNC(=O)c1ccccc1)c1nc(-c2ccc(Cl)c(Cl)c2)cs1 2331311865 GRLGFUFVOXPVLU-UHFFFAOYSA-N 486.424 6.900 50 10 JKGE CCCCCCCOc1ccc(-c2csc(C(C#N)=C(O)c3ccc(OC(C)=O)cc3)n2)cc1 2331345824 BJWFCKRBIOHWMM-UHFFFAOYSA-N 476.598 7.034 50 10 JKGE COc1cc(-c2csc(C(C#N)=C(O)COc3cccc(C)c3C)n2)c(OC)cc1Cl 2331376918 JYUQXJYLSHXYGU-UHFFFAOYSA-N 456.951 5.969 50 10 JKGE CCOc1ccc(-c2csc(C(C#N)=C(O)C=Cc3ccc(OCC)c(OC)c3)n2)c(OCC)c1 2331386644 WGZAGIGWOXBKSG-UHFFFAOYSA-N 492.597 6.521 50 10 JKGE COc1c(C)cc(Cl)cc1-c1csc(C(C#N)=C(O)C=Cc2ccc(C(C)C)cc2)n1 2331391903 SZVMWAFHBHRYFY-UHFFFAOYSA-N 450.991 7.410 50 10 JKGE COc1ccc(C=CC(O)=C(C#N)c2nc(-c3cc(Cl)c(OC)c(Cl)c3)cs2)cc1 2331396550 NCBMCOPPUPQARJ-UHFFFAOYSA-N 459.354 6.640 50 10 JKGE N#CC(=Cc1cc(Br)ccc1F)c1nc(-c2ccc(-c3ccccc3)cc2)cs1 2331414097 GBBXABANPMCNQW-UHFFFAOYSA-N 461.359 7.443 50 10 JKGE CCCOc1c(Br)cc(C=C(C#N)c2nc(-c3cccc(Cl)c3)cs2)cc1OC 2331439698 CRVQVQKGDPCHOW-UHFFFAOYSA-N 489.822 7.088 50 10 JKGE Cc1cc(Br)c([C@@H](Br)[C@@H]2C[C@H]2C(F)(F)F)c(C)c1Br 2333708716 NYQVTQDISSQBGN-RWYTXXIDSA-N 464.945 6.463 50 10 JKGE Fc1cc([C@H](Br)c2ccc(OCc3ccccc3)cc2Br)cc(F)c1F 2336083467 KIXGHNDOSVDNHS-IBGZPJMESA-N 486.125 6.930 50 10 JKGE COc1ccsc1[C@H](Br)c1c(Cl)cc(Br)c(F)c1Br 2337092206 MZFOKCRWSWHUCV-SNVBAGLBSA-N 493.417 6.559 50 10 JKGE CCc1occc1[C@H](Br)c1c(Cl)cc(Br)c(F)c1Br 2337092718 VDURZFWLLMTZNK-NSHDSACASA-N 475.377 6.644 50 10 JKGE Cc1cc(Br)c(F)c(Br)c1[C@H](Br)[C@@H]1CCC[C@H](F)C1 2339682380 RSOOXDUOYVAVHV-VDDIYKPWSA-N 460.982 6.623 50 10 JKGE Cl[C@H](CNCc1ccc(I)c(Br)c1)c1ccccc1 2349830926 RZFMDWSQIBTQDY-CQSZACIVSA-N 450.545 5.123 50 10 JKGE Clc1ccc(I)cc1C[C@@]1(CBr)CC12CCCCC2 2352417166 GAKVHAUJSNWUGM-INIZCTEOSA-N 453.589 6.223 50 10 JKGE Cc1cc(Br)c(C(C)C)cc1[C@@H](Br)c1ncsc1Br 2352800643 XUBYWUZPTALNEK-GFCCVEGCSA-N 468.052 6.584 50 10 JKGE COc1c(F)c(F)cc([C@@H](Br)c2cc(Br)c(Cl)s2)c1F 2361167146 ZWLCURQLIRFVCN-MRVPVSSYSA-N 450.501 6.074 50 10 JKGE Fc1c(Br)cc(Cl)c([C@@H](Cl)C[C@H]2CCCC2(F)F)c1Br 2362229364 SJGFIFNIZPGXJF-SVRRBLITSA-N 454.939 7.110 50 10 JKGE Cc1cc(Br)c([C@@H](Br)c2c(Br)nc(C)n2C)c(C)c1Cl 2362447457 XCQSHHFQRUCRBG-LLVKDONJSA-N 485.445 6.008 50 10 JKGE COCc1ccc([C@H](Br)c2c(C)c(Br)cc(C)c2Br)s1 2367817133 JTACOZCCDFYTTK-HNNXBMFYSA-N 483.063 6.521 50 10 JKGE O=C(N/N=C/c1ccccc1C(F)(F)F)/C(=C/C=C/c1ccccc1)NC(=O)c1ccccc1 8397177 VJBWBRFGDXMUAY-MVGDRGOFSA-N 463.459 5.183 50 10 JKGE CCSc1sccc1[C@H]1C(C#N)=C(N)N(c2ccccc2)C2=C1C(=O)C[C@H](c1ccccc1)C2 9981226 XWGBXTDBRJFLPK-CLOONOSVSA-N 483.662 6.559 50 10 JKGE CCOc1ccc(/C=N/NC(=O)Cc2ccc(Br)c3ccccc23)cc1OCC 27519739 NZEVWHLMIKNSFK-MFKUBSTISA-N 455.352 5.093 50 10 JKGE COc1ccc(/C(C#N)=C\c2ccc(OC(=O)c3ccc(F)c(F)c3F)c(OC)c2)cc1OC 31902103 UPBGWYDTIIWFRR-YBEGLDIGSA-N 469.415 5.413 50 10 JKGE CCOC(=O)/C(C#N)=C/c1ccc(OC(=O)/C(=C\c2ccccc2)c2ccccc2)c(OCC)c1 33378279 WDUPRWWBTSXOHB-AEYPSVNOSA-N 467.521 5.702 50 10 JKGE CCN(CC)CCOC(=O)c1ccc(N/C=C(\C#N)c2nc(-c3ccc4ccccc4c3)cs2)cc1 33380479 ITWOAPFWNJERLM-NCELDCMTSA-N 496.636 6.438 50 10 JKGE CCOC(=O)Nc1sc(/C(C#N)=C\c2ccc([N+](=O)[O-])cc2)nc1-c1ccc(Cl)cc1 34262580 JSQQZHPYFXROGX-PTNGSMBKSA-N 454.895 6.004 50 10 JKGE CCCCOc1ccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)COc4ccccc4C)ccc32)cc1 38650780 HVLVKRFVQJEROD-NDEPHWFRSA-N 484.552 5.377 50 10 JKGE CCCCOc1ccccc1C(=O)Oc1ccc2c(c1)OC(N)=C(C#N)[C@@H]2c1cccc(OCCC)c1 38684499 SQPZEDHYFIZYEA-MUUNZHRXSA-N 498.579 6.092 50 10 JKGE COc1ccccc1[C@H]1C(C#N)=C(N)Oc2cc(OC(=O)c3oc4cc(C)c(C)cc4c3C)ccc21 38687242 RQPXQNLCSYHFHS-AREMUKBSSA-N 480.520 5.804 50 10 JKGE COc1ccc2nc(N(/N=C/c3ccc(Br)cc3)C(=O)C3CCCCC3)sc2c1 39714536 LKFYRERPJCVLLO-ZVHZXABRSA-N 472.408 6.015 50 10 JKGE N#C/C(=C/c1c(Oc2ccc(Cl)cc2)nc2ccccn2c1=O)C(=O)Nc1ccccc1Cl 39858598 FKIDGWFCINZKPH-SQFISAMPSA-N 477.307 5.339 50 10 JKGE COc1cccc(C(=O)N/N=C2\CCCc3oc(C(=O)Oc4ccc(Cl)cc4Cl)c(C)c32)c1 40822442 FSABJRPOYOWRQZ-OVVQPSECSA-N 487.339 5.593 50 10 JKGE Cc1cc(OCC(=O)N/N=C/c2ccc(Cl)c(Cl)c2)c(C(C)C)cc1Br 40902883 UDJACDAKOOQVQH-NUGSKGIGSA-N 458.183 5.717 50 10 JKGE CCCNC(=O)/C(C#N)=C/c1ccc(OC(=O)CCCOc2ccc(C(C)(C)CC)cc2)c(OC)c1 54624847 BKIGATPRCKSWCC-RELWKKBWSA-N 492.616 5.581 50 10 JKGE O=C(N/N=C1/C(=O)N(Cc2ccccc2Cl)c2ccccc21)c1ccc(Cl)cc1Cl 59166018 BJIAFKCUJTUPBG-LHLOQNFPSA-N 458.732 5.328 50 10 JKGE ClCCc1nc2cc(I)ccc2n1-c1cc(Cl)cc(Cl)c1 97353954 FDIUFUURVOXUAR-UHFFFAOYSA-N 451.522 5.718 50 10 JKGE COc1ccccc1CN(C(=O)CCl)[C@@H](C(=O)NC1CCCCCC1)c1ccc(Cl)cc1 97914900 NBCCPCOAJKBNOL-XMMPIXPASA-N 477.432 5.496 50 10 JKGE COc1cccc([C@@H](C(=O)NC2CCCCC2)N(CCc2ccc(Cl)cc2)C(=O)CCl)c1 97915129 XRTSAPUFRPAJSN-DEOSSOPVSA-N 477.432 5.149 50 10 JKGE N#C/C(=C/Nc1ccc(Cl)cc1C(=O)c1ccccc1)c1nc(-c2ccc(F)cc2)cs1 102420570 XDGWJCSBJDXKDZ-JXAWBTAJSA-N 459.933 6.810 50 10 JKGE CCCOc1ccc(/C=C(/C#N)C(=O)Nc2ncc(Cc3ccccc3Cl)s2)cc1OC 102974863 PXOYGLZWPLKVFX-WQRHYEAKSA-N 467.978 5.730 50 10 JKGE CCCOc1cccc([C@@H](Br)c2cc(Br)sc2Br)c1 104038589 YPHGYXPTOFVRTO-CYBMUJFWSA-N 469.036 6.546 50 10 JKGE Brc1ccc(Br)c([C@@H](Br)c2cc3c(s2)CCC3)c1 109844390 DYTRTHGZSWFICQ-CQSZACIVSA-N 451.021 6.246 50 10 JKGE Cc1sc(Br)cc1[C@H](Br)c1ccccc1I 114635269 QVCZJAXNCXZCCW-GFCCVEGCSA-N 471.983 5.908 50 10 JKGE Fc1ccc(CC(CBr)(CBr)c2ccccc2)cc1Br 118876383 JFPKSIKCFUTMAW-UHFFFAOYSA-N 464.998 5.859 50 10 JKGE CC(C)[Si](Oc1ccc(C(=O)[C@H](C)N2CCC(O)(c3ccccc3)CC2)cc1)(C(C)C)C(C)C 196041971 UNRHYKUJRVFZKJ-DEOSSOPVSA-N 481.753 6.796 50 10 JKGE CCCC(=NNC(=O)c1cc(-c2ccc(C(C)(C)C)cc2)nc2ccccc12)c1ccc(Cl)s1 252626013 QUGZRDXVBSDCDN-UHFFFAOYSA-N 490.072 7.848 50 10 JKGE 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 254307476 GCLRJMLUSNRQMO-XEJWYZPESA-N 451.577 8.871 50 10 JKGE CCOc1ccc(OCc2ccc(C(=O)NN=C(C)c3cccc(C(F)(F)F)c3)cc2)cc1 254402031 GNEDGUFOIHISGD-UHFFFAOYSA-N 456.464 5.837 50 10 JKGE CCOc1ccc(Br)cc1C=NNC(=O)[C@H](C)Sc1nc2ccccc2s1 254737440 GYFADTRIPCVEMN-LBPRGKRZSA-N 464.410 5.088 50 10 JKGE CCCC(CC)=NNC(=O)CNc1c(Br)cc(Br)cc1Br 254799831 MWOZTSUIHLFDCW-UHFFFAOYSA-N 484.030 5.068 50 10 JKGE CCCCCCCCCC(=O)NN=Cc1ccc(OC(=O)c2ccc(OCCC)cc2)c(OCC)c1 254870713 FJTPAAMKMDNGJQ-UHFFFAOYSA-N 496.648 6.684 50 10 JKGE CCCc1ccc(-c2cc(C(=O)NN=Cc3cc(OC)ccc3OC)c3ccccc3n2)cc1 254871501 YNUBVZPWYURROB-UHFFFAOYSA-N 453.542 5.635 50 10 JKGE Cc1cc(Br)c([C@@H](Br)c2sccc2I)s1 307364230 KRFUAZAZWVNTNQ-MRVPVSSYSA-N 478.012 5.969 50 10 JKGE C[C@H](Cl)c1nc2cc(I)ccc2n1[C@H]1CCN(Cc2ccccc2)C1 310624268 CICQWYQAJHNUNN-YOEHRIQHSA-N 465.766 5.388 50 10 JKGE C[C@H]1C[C@@H](OC2(CI)CCN(C(=O)OC(C)(C)C)CC2)CC(C)(C)C1 380746330 ZNMVASZOLNIOFA-JKSUJKDBSA-N 465.416 5.423 50 10 JKGE CN(C(=O)OC(C)(C)C)c1cccc([C@@H]2CN(CCO[Si](C)(C)C(C)(C)C)CCCO2)c1 616678449 GIZCQRUIYNKZHL-QFIPXVFZSA-N 464.723 5.843 50 10 JKGE C[C@H](Cl)c1nc2ccc(F)c(Br)c2n1[C@@H]1CCCN(Cc2ccccc2)C1 689776571 XDUGPVSWHWRSLZ-GOEBONIOSA-N 450.783 6.075 50 10 JKGE C[C@H](CC(C)(C)C)CC(CBr)(CBr)c1ccc(Br)cc1 709071997 VTVDFCABLISGAD-CYBMUJFWSA-N 469.099 6.939 50 10 JKGE CCCN(CCC)c1ccc(C(=O)NN=Cc2cc(C(C)(C)C)c(O)c(C(C)(C)C)c2)cc1 1083898693 RIZNSIHXJOWCKI-UHFFFAOYSA-N 451.655 6.378 50 10 JKGE COc1c(Cl)cc(C=NNC(=O)c2cc3cc(Br)ccc3o2)cc1Br 1083911104 YMXRYOHYHPGOMN-UHFFFAOYSA-N 486.547 5.384 50 10 JKGE COc1cc(/C=C(/C#N)C(=O)Nc2cccc3ccccc23)ccc1OC(=O)c1ccc(C)cc1 1083913502 ACNQIALJSBOELM-KQWNVCNZSA-N 462.505 5.922 50 10 JKGE CCCOc1c(I)cc(/C=C(\C#N)C(=O)Nc2ccc(C)cc2C)cc1OC 1084251012 JPBKCBGLGWEKMZ-LICLKQGHSA-N 490.341 5.251 50 10 JKGE C=CCc1cc(/C=C(\C#N)C(=O)Nc2ccc(C)cc2)ccc1OCc1ccc2ccccc2c1 1084357465 QSSOCPXSMGAVFX-MTDXEUNCSA-N 458.561 7.001 50 10 JKGE COc1cc(/C=C(\C#N)C(=O)NCc2ccccc2)cc(Br)c1OCc1ccc(F)cc1 1084472917 GLOYXMANINMSJJ-RGVLZGJSSA-N 495.348 5.399 50 10 JKGE CCOc1ccc([C@@H]2CN(Cc3ccccc3)C[C@@H]2CI)cc1OCC 1614714130 KGAWFRVZEPTDNX-PMACEKPBSA-N 465.375 5.135 50 10 JKGE CCCCOc1ccc(NC(=O)c2oc3c(c2C)C(=NNC(=O)c2ccccc2F)CCC3)cc1 1772744151 QXPKBMMZZZHGOO-UHFFFAOYSA-N 477.536 5.629 50 10 JKGE CCOc1cc(C=NNC(=O)CSc2nc(-c3ccccc3)cs2)ccc1OC(C)C 1772755268 YFXAXLKRIMYLGT-UHFFFAOYSA-N 455.605 5.238 50 10 JKGE N#CC1=C(N)Oc2c(c(-c3ccccc3)nn2-c2ccccc2)[C@@H]1c1cccc(Br)c1 1865683287 CGLVKXSHCRTYCD-OAQYLSRUSA-N 469.342 5.520 50 10 JKGE Cc1nn(-c2ccc(Cl)c(Cl)c2)c2c1[C@H](c1cccc(Br)c1)C(C#N)=C(N)O2 1865684718 WMPQSVIHKKVZNG-GOSISDBHSA-N 476.161 5.468 50 10 JKGE Cc1ccc([C@@H]2C(C#N)=C(N)Oc3c2c(-c2ccccc2)nn3-c2cccc3ccccc23)cc1 1865685540 JWWXJJOTQPWLPL-AREMUKBSSA-N 454.533 6.219 50 10 JKGE CCc1nn(-c2ccccn2)c2c1[C@H](c1ccc(OCc3ccccc3Cl)cc1)C(C#N)=C(N)O2 1865704087 MVZWMFNJNKZRSZ-XMMPIXPASA-N 483.959 5.280 50 10 JKGE CCCc1nn(-c2ccc(Cl)c(Cl)c2)c2c1[C@@H](c1ccc(OC)cc1OC)C(C#N)=C(N)O2 1865708404 WEQYUHGDNXPXOI-NRFANRHFSA-N 485.371 5.367 50 10 JKGE Cc1nn(Cc2cccc(Cl)c2)c2c1[C@H](c1cccc(OCc3ccccc3)c1)C(C#N)=C(N)O2 1865711756 HLVJSKPGIYUAHS-AREMUKBSSA-N 482.971 5.690 50 10 JKGE CC(C)(C)c1nc(Nc2ccc(SC#N)cc2)cc(N2CC(=O)N3CCc4ccccc4[C@@H]3C2)n1 1868342591 XGIISRNETXSQPM-QFIPXVFZSA-N 484.629 5.037 50 10 JKGE COc1ccc(-c2csc(/C(C#N)=C(O)/C=C/c3cc(OC)c(OC)c(OC)c3)n2)cc1OC 1872745345 ITEXYEGKJQMBKI-MGXKBMBFSA-N 480.542 5.359 50 10 JKGE C[C@@H](c1ccccc1)N1C[C@H](/C(O)=C(\C#N)c2nc(-c3ccc(Br)cc3)cs2)CC1=O 1872746355 DFCCVNWHMIOIAP-BBTAVVNOSA-N 494.414 5.975 50 10 JKGE CCOc1ccc(/C=C/C(O)=C(\C#N)c2nc(-c3ccc(Br)cc3)cs2)cc1 1872746786 YDTNMNJIBVOHFH-NRUTYPCLSA-N 453.361 6.477 50 10 JKGE COc1c(Cl)cc(-c2csc(/C(C#N)=C(\O)c3ccc(OCC(C)C)cc3)n2)cc1Cl 1872755800 GSKHBHUTGJGOJP-FXBPSFAMSA-N 475.397 7.110 50 10 JKGE C[C@@H](Oc1ccc(Cl)cc1Cl)/C(O)=C(\C#N)c1nc(-c2ccc(Cl)s2)cs1 1872757907 BSLBMTKMORWKOB-IYKHAPDZSA-N 457.791 7.092 50 10 JKGE CCOc1cc(/C=C(\C#N)c2nc(-c3cc(C)ccc3C)cs2)ccc1OCc1ccc(C)cc1 1872790844 HYDYUTISIHVZLE-MFKUBSTISA-N 480.633 7.777 50 10 JKGE CCCCOc1ccc(/C=C(\C#N)c2nc(-c3cc(C)c(Cl)cc3OC)cs2)cc1OC 1872794390 YRVBFKPBQYVXNH-WOJGMQOQSA-N 469.006 7.032 50 10 JKGE CC(F)(F)[C@@H]1C[C@H]1[C@@H](Cl)c1c(Br)sc(Br)c1Br 1906226394 WBLSQVQKHGFCJA-XAQAVTJOSA-N 473.402 6.607 50 10 JKGE Clc1cc([C@@H](Br)c2cc(Br)sn2)sc1Br 1909863513 IPIXNAGDKFBAGH-ZETCQYMHSA-N 452.418 5.867 50 10 JKGE C[C@H]1CN(Cc2ccccc2)C[C@H]1Cn1c(CCl)nc2c(Br)cc(F)cc21 1912655604 WXSZOGGHKWPZOM-HOCLYGCPSA-N 450.783 5.445 50 10 JKGE Fc1cc(F)cc([C@@H](Br)c2c(Br)sc(Br)c2Cl)c1 1923039540 PEUGUHIULWBPRD-MRVPVSSYSA-N 481.381 6.689 50 10 JKGE C[C@@H](c1ccncc1Br)[C@@H](Br)c1csc(I)c1 1924024047 WPPJMMKLKNVWOC-JVXZTZIISA-N 486.998 5.750 50 10 JKGE FC1(F)C[C@@H]1[C@@H](Br)c1c(Br)sc(Br)c1Br 1924617140 YFXFBNMDZHYFQG-VVJJHMBFSA-N 489.799 6.127 50 10 JKGE CC(C)N(Cc1ccccc1)S(=O)(=O)c1ccc(Cl)c(CBr)c1Cl 2009647224 SEZHUPGKTYCJDE-UHFFFAOYSA-N 451.213 5.488 50 10 JKGE Cc1csc([C@H](Br)[C@H](C)c2ccncc2Br)c1Br 2039335467 DKRCGPZZSQUOBD-PRHODGIISA-N 454.025 6.216 50 10 JKGE N#CC(=Cc1ccc(OCc2ccccc2)cc1)c1nc(CCN2C(=O)c3ccccc3C2=O)cs1 2040744320 IRZHHOXNXVWZEP-UHFFFAOYSA-N 491.572 5.625 50 10 JKGE ClCCc1nc2ccc(Cl)c(Cl)c2n1CCCN(Cc1ccccc1)Cc1ccccc1 2041738488 GOTKXTLXASCXEK-UHFFFAOYSA-N 486.874 7.217 50 10 JKGE C[C@H](c1ccncc1Br)[C@H](Br)c1cc(Br)c(Cl)s1 2052441258 DXXFDVKYYNRQRJ-KBUNVGBDSA-N 474.443 6.561 50 10 JKGE Cc1cc(Br)c(CBr)c(N2CC[C@@H](C)N(Cc3ccccc3)CC2)c1 2053201869 FHVPAFSUDSGASQ-QGZVFWFLSA-N 466.261 5.753 50 10 JKGE Cc1cc([C@@H](Cl)c2cccc(Br)c2Br)c(C)cc1Br 2092327491 BKLJANZQHJPKCN-HNNXBMFYSA-N 467.426 6.919 50 10 JKGE ClCc1cc(Br)ccc1OCc1c(Br)cccc1Br 2094091938 ZSNANDNDWFMWQD-UHFFFAOYSA-N 469.398 6.292 50 10 JKGE Clc1nc(N2CCC[C@@]3(CCCN(Cc4ccccc4)C3)C2)sc1CBr 2107015468 RJBBOOXTWOWPTD-HXUWFJFHSA-N 454.865 5.574 50 10 JKGE FC1(F)[C@H]2C[C@](CBr)(Cc3cccc(Br)c3Br)C[C@H]21 2107632449 HLARRMNRJDPYMF-IWIIMEHWSA-N 458.966 5.811 50 10 JKGE Cc1cc(Br)c([C@H](Br)C2(CC(F)(F)F)CC2)cc1Br 2120196779 MWHLGFYZXBUQPZ-NSHDSACASA-N 464.945 6.689 50 10 JKGE Cc1cc(Br)c(C)c([C@H](Br)[C@H]2[C@H]3CCCC[C@H]32)c1Br 2136376502 GQWSAWSUGARCKM-VAECKANCSA-N 451.040 6.701 50 10 JKGE C[C@]1(COc2c(Br)cc(CBr)cc2Br)CSCCO1 2136555563 QOODPGWGBSEBIO-ZDUSSCGKSA-N 475.040 5.007 50 10 JKGE Cc1cc(Cl)c([C@@H](Br)Cc2ccccc2I)cc1Cl 2136699435 XQJBEOFDQOELKU-LBPRGKRZSA-N 469.975 6.585 50 10 JKGE Cc1csc([C@@H](Cl)c2c(Br)cc(F)c(Cl)c2F)c1Br 2136967641 WXIKRJKFOOVINH-JTQLQIEISA-N 450.957 6.841 50 10 JKGE Cc1c(Br)ccc([C@H](Br)[C@@H]2CC[C@H]3C[C@H]3CC2)c1Br 2138859111 AGXPCHBMFWHIMY-AZKPJATDSA-N 451.040 6.782 50 10 JKGE COc1cc(Br)c(C)cc1[C@H](Br)c1ccc(F)cc1Br 2145960963 HUGCUZZCZBFPCE-OAHLLOKOSA-N 466.970 6.152 50 10 JKGE Brc1sc([C@H](Br)c2cc3c(s2)CCSC3)cc1C1CC1 2151033465 RKSOIVAYDTZVKS-CQSZACIVSA-N 450.286 6.723 50 10 JKGE CC1(C)C[C@H](n2c(CCl)nc3cc(I)ccc32)CCN1Cc1ccccc1 2155051715 RHLGEPGCAXLUCY-GOSISDBHSA-N 493.820 5.995 50 10 JKGE Fc1ccc(Br)c(F)c1CC[C@H](Br)c1ccc(Br)cc1 2169799092 LRYHKDIYVLCMMB-LBPRGKRZSA-N 468.961 6.559 50 10 JKGE CC[C@@H](Br)[C@H]1CCCCN1C(=O)c1ccc(I)c(Cl)c1 2170615234 RDZUSBWNXWJSSE-BXUZGUMPSA-N 470.576 5.113 50 10 JKGE CN(c1cc(Br)cc(F)c1CCl)[C@@H]1C[C@@H]2CC[C@H](C1)N2Cc1ccccc1 2170696678 IEYJOZQZBSKAQQ-BWTSREIZSA-N 451.811 5.959 50 10 JKGE BrCc1cc(Br)c(OC[C@H]2C[C@@H]3CC[C@H](C2)O3)c(Br)c1 2181273718 AQOJOUFCZYKNKE-CNDDSTCGSA-N 469.011 5.443 50 10 JKGE BrCc1cc(Br)c(OCc2cnn(C3CC3)c2)c(Br)c1 2186822825 CAJILYUCNOXDQN-UHFFFAOYSA-N 464.983 5.217 50 10 JKGE Fc1ccc2cc([C@H](Br)c3ccc(Br)cc3Br)sc2c1 2203688919 WLTMZWGMSWWLAK-OAHLLOKOSA-N 479.006 7.050 50 10 JKGE COc1c(C)cc(Br)cc1[C@@H](Br)c1ccc(C)cc1Br 2206599306 UJHXJEUCFFEXST-HNNXBMFYSA-N 463.007 6.321 50 10 JKGE CC1(C)CCC[C@@](CBr)(Cc2ccc(I)c(Cl)c2)CC1 2208032049 FPKXGDJMASPVFB-KRWDZBQOSA-N 469.632 6.859 50 10 JKGE Cc1sc([C@@H](Cl)c2cc(Br)sc2Br)c(Br)c1C 2215943564 HTLVROXHWJAVOR-VIFPVBQESA-N 479.484 7.042 50 10 JKGE ClCc1nc2cc(Br)c(Br)cc2n1C1CC(Br)C1 2218661318 HCMQGEVCODUFFK-UHFFFAOYSA-N 457.391 5.399 50 10 JKGE Clc1cc(Br)c(OCc2ncsc2Br)c(CBr)c1 2219011160 PKIJPPHPYLUOHW-UHFFFAOYSA-N 476.415 5.795 50 10 JKGE Cc1ccc(F)c([C@H](Br)c2cc(Br)c(Br)cc2F)c1 2225615355 GQBBUEAUPYHNQB-AWEZNQCLSA-N 454.934 6.283 50 10 JKGE CCCCCCc1ccc([C@@H](Br)c2csc(I)c2)s1 2225749527 CZSSCZZBCDOZOV-HNNXBMFYSA-N 469.251 7.021 50 10 JKGE Cc1cc(Br)c([C@H](Br)[C@H]2CCO[C@H](C)C2)c(C)c1Br 2227356097 PJYAQJIDJPDGIP-BPYAMOTFSA-N 455.028 6.080 50 10 JKGE C[C@H](C[C@H](Br)c1c(Br)cc(Cl)c(Cl)c1Cl)CC(C)(C)C 2232515109 YYAIYLJETLAPCQ-BDAKNGLRSA-N 465.484 8.308 50 10 JKGE C[C@@H](Cl)c1nc2c(F)cc(Br)cc2n1C(C)(C)CN(C)Cc1ccccc1 2232916660 SUWLADUKKRITKE-CQSZACIVSA-N 452.799 6.105 50 10 JKGE COc1c(C(C)C)cc(Br)cc1[C@H](Br)c1cscc1Br 2233159358 KMDZKGMPCCCYHF-AWEZNQCLSA-N 483.063 6.889 50 10 JKGE Cc1sc([C@H](Br)c2cc(Cl)c(Cl)c(Cl)c2Cl)c(C)c1Br 2234463886 JOKFWGKYBAUXJF-SECBINFHSA-N 497.894 8.225 50 10 JKGE Cc1cc(Br)c([C@@H](Br)[C@H](C)C2CCCCC2)c(C)c1Br 2235603632 BQYRXYRPOOYKAL-DIFFPNOSSA-N 467.083 7.481 50 10 JKGE CCc1cc([C@H](Br)c2ccccc2I)sc1Br 2248048174 KOVWSMCFJINKBZ-GFCCVEGCSA-N 486.010 6.162 50 10 JKGE FC(F)[C@@H]1CCC[C@@H]1[C@@H](Br)c1sc(Br)cc1Br 2249208889 OAZSGKQRDKFXEF-CCGCGBOQSA-N 452.984 6.391 50 10 JKGE COc1cscc1[C@@H](Br)Cc1cc(Br)cc(Br)c1 2263524037 FJMAYYNZNFUSJW-LBPRGKRZSA-N 455.009 5.960 50 10 JKGE CCCCc1ccc([C@@H](Br)c2c(F)cccc2I)s1 2267663883 SVKVNNMZALSSDZ-OAHLLOKOSA-N 453.158 6.319 50 10 JKGE CCc1cc([C@H](Br)c2c(Br)c(CC)nn2C)sc1Br 2267866599 PNZXICDKMWRDRD-NSHDSACASA-N 471.056 5.616 50 10 JKGE COc1c([C@@H](Br)c2cc(C)c(Br)s2)cc(Br)c(C)c1C 2284526141 TXBRBIFDPRJDCE-CYBMUJFWSA-N 483.063 6.691 50 10 JKGE O=C(Cc1cc(Br)cc(Br)c1)N[C@@H](CBr)c1ccsc1 2295314364 WXGOWZQNTSHXPZ-ZDUSSCGKSA-N 482.035 5.068 50 10 JKGE COC(=O)c1cc(OC)c(OC)cc1NC=C(C#N)c1nc(-c2ccc(CC(C)C)cc2)cs1 2295956230 JEHCNCQVNKTXBE-UHFFFAOYSA-N 477.586 5.789 50 10 JKGE COc1ccc(Oc2ccc(-n3c(C)cc(C=C(C#N)C(=O)NCc4ccco4)c3C)cc2)cc1 2297456364 SBAFRHVSWVXUSP-UHFFFAOYSA-N 467.525 5.711 50 10 JKGE N#CC(=Cc1c(Oc2ccc(Br)cc2)nc2ccccn2c1=O)c1nc2ccccc2[nH]1 2297497737 ADZWYAJKRUFDOF-UHFFFAOYSA-N 484.313 5.190 50 10 JKGE Cn1cc(Cl)c([C@H](Br)c2cc(Br)ccc2OCc2ccccc2)n1 2299505142 UGTTXIIPAWCUOJ-QGZVFWFLSA-N 470.592 5.899 50 10 JKGE CN(CCN(Cc1ccccc1)c1c(CBr)c(C(F)(F)F)nn1C)Cc1ccccc1 2301551022 RQEABUWZXGZWOL-UHFFFAOYSA-N 495.387 5.472 50 10 JKGE Cc1ccc(NC(=O)C(C#N)=Cc2cc(C)n(-c3ccc(I)cc3)c2C)cc1 2313567610 IUNUJSQHPZLXOW-UHFFFAOYSA-N 481.337 5.553 50 10 JKGE FC(F)C1CC(C[C@H](Br)c2ccc(OCc3ccccc3)cc2Br)C1 2314461855 RWJXVLUJZJGTGH-JMLCCBQJSA-N 474.183 7.146 50 10 JKGE CCCCNC(=O)C(C#N)=Cc1ccc(OC(=O)C=Cc2ccc(Cl)c(Cl)c2)c(OC)c1 2314777796 VDPUJIJHWASRQY-UHFFFAOYSA-N 473.356 5.444 50 10 JKGE C[C@H]1C[C@]2([C@@H](Br)c3c(Cl)cc(Br)c(F)c3Br)C[C@H]12 2315442095 PEGAIAPZRXPIGK-OVKOADNCSA-N 461.394 6.486 50 10 JKGE CCOC(=O)c1c(NC(=O)C(C#N)=Cc2ccc(OC)cc2)sc(C(=O)OC2CCCCC2)c1C 2329622260 BQFLIBHQAGEFLG-UHFFFAOYSA-N 496.585 5.277 50 10 JKGE CC(C)CN1C(=O)c2ccc(C(O)=C(C#N)c3nc(-c4ccc(F)cc4F)cs3)cc2C1=O 2331286818 MSECHEYAGPBEDS-UHFFFAOYSA-N 465.481 5.290 50 10 JKGE COc1c(C)cc(Cl)cc1-c1csc(C(C#N)=C(O)CCCOc2ccccc2Cl)n1 2331392379 XNWVEKKTTBMSBR-UHFFFAOYSA-N 475.397 7.086 50 10 JKGE N#CC(=Cc1cccc(OCc2ccccc2)c1)c1nc(-c2ccc(Oc3ccccc3)cc2)cs1 2331467363 HXSPUGWDJIVPIB-UHFFFAOYSA-N 486.596 8.246 50 10 JKGE Cc1scc([C@H](Br)c2c(Cl)cc(Br)c(F)c2Br)c1C 2337080962 PAEGPGSENGVJDH-NSHDSACASA-N 491.445 7.167 50 10 JKGE Cc1ccccc1[C@@H](CI)OCc1cccc(I)c1 2341612186 PUNAULKATNWANS-MRXNPFEDSA-N 478.111 5.293 50 10 JKGE Cc1cc(Br)c([C@@H](Br)[C@@H]2C[C@H]2C2CCCCC2)cc1Br 2357683706 BQGUHFKDXMTOJO-AHIWAGSCSA-N 465.067 7.172 50 10 JKGE Fc1ccc([C@H](Br)c2sc(Cl)cc2I)cc1C(F)(F)F 2364124056 YSGFNSPEMIDAHE-JTQLQIEISA-N 499.492 6.648 50 10 JKGE CCc1cscc1[C@@H](Br)c1c(C)cc(Br)c(OC)c1Br 2365190130 BNOAOAVPSNAYRF-CYBMUJFWSA-N 483.063 6.637 50 10 JKGE COC1(C[C@H](Br)c2c(C)cc(Br)c(F)c2Br)CCCC1 2365191736 QTJAEGCXWDWARM-NSHDSACASA-N 473.018 6.444 50 10 JKGE Cc1cc(Br)c(F)c(Br)c1[C@H](Br)C[C@H]1C[C@@H]1C(F)(F)F 2365192485 CLGHYHGERMRIQW-GJMOJQLCSA-N 482.935 6.684 50 10 JKGE CO[C@]1(C(F)F)C[C@H]([C@@H](Br)c2cc(Br)c(Br)cc2F)C1 2368965005 PTIBXQUWNPPTDX-LQHYUQAISA-N 480.944 5.847 50 10 JKGE C[C@H](Br)C[C@@H]1CCCCCN1Cc1cc(I)ccc1Cl 2380516192 ZIZFVXAFXYMNRH-WFASDCNBSA-N 470.620 5.863 50 10 JKGE Cc1cc([C@@H](Br)c2cc(C(C)C)c(Br)cc2C)c(Br)s1 2380951773 LDZRRIOJTVUQSP-HNNXBMFYSA-N 481.091 7.498 50 10 JKGE CCCOc1ccc(-c2nn(-c3ccccc3)cc2/C=C(\C#N)c2nc3ccccc3s2)c(C)c1 12615130 CWAXVAZQXHHGPB-HEHNFIMWSA-N 476.605 7.310 50 10 JKGE CSc1sc(C)cc1[C@@H]1C(C#N)=C(N)N(c2ccc(Cl)cc2[N+](=O)[O-])C2=C1C(=O)CCC2 27550400 CXGOISIWZNDEFV-LJQANCHMSA-N 487.006 5.645 50 10 JKGE COc1ccc(/C(C#N)=C\c2ccc(OC(=O)CCOc3ccccc3)c(OC)c2)cc1OC 31902063 JVDQMJAGFMDGAY-QNGOZBTKSA-N 459.498 5.151 50 10 JKGE CCCOc1ccccc1/C=C(\C#N)C(=O)Nc1scc(-c2ccc(F)cc2)c1C(=O)OCC 33346773 LQRZKATUDIRIOH-XMHGGMMESA-N 478.545 6.065 50 10 JKGE COc1cc(/C=C(/C#N)c2ccc(Br)cc2)ccc1OCc1ccc(C(=O)O)cc1 33931819 ZXDYXDZSICBQOA-NDENLUEZSA-N 464.315 5.799 50 10 JKGE N#CC1=C(N)Oc2cc(OC(=O)c3cc([N+](=O)[O-])ccc3Cl)ccc2[C@H]1c1ccc(Cl)cc1 38651437 ISSORQHHXROXIF-OAQYLSRUSA-N 482.279 5.339 50 10 JKGE CCCOc1ccccc1[C@H]1C(C#N)=C(N)Oc2cc(OC(=O)c3ccc(OC(C)C)cc3)ccc21 38681590 PEJQQGKMTSKRMC-HHHXNRCGSA-N 484.552 5.700 50 10 JKGE CCCCOc1ccccc1[C@H]1C(C#N)=C(N)Oc2cc(OC(=O)COc3cccc(C)c3)ccc21 38682849 CTVUHVUPKCGNKY-MUUNZHRXSA-N 484.552 5.377 50 10 JKGE COc1cc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4ccccc4F)ccc32)ccc1OCC(C)C 38684242 LYVJKGAQVYGUJW-AREMUKBSSA-N 488.515 5.306 50 10 JKGE N#C/C(=C\c1ccc(-c2ccc(Cl)c(Cl)c2)o1)c1nc(-c2ccc([N+](=O)[O-])cc2)cs1 39885081 CJTCHXYMATVNHT-OQLLNIDSSA-N 468.321 7.349 50 10 JKGE CCCCOc1ccc(Nc2ncnc(NNC(=O)C(c3ccccc3)c3ccccc3)c2N)cc1 40754872 JCUWCWIYSVVHCP-UHFFFAOYSA-N 482.588 5.257 50 10 JKGE Cc1c(C(=O)Nc2cccc3ccccc23)oc2c1/C(=N/NC(=O)COc1ccccc1)CCC2 40816097 XDYKEIYAKNZCNU-JJKYIXSRSA-N 467.525 5.229 50 10 JKGE CCOc1ccc(Br)cc1/C=N/NC(=O)COc1ccc(-c2ccccc2)cc1 40911913 ZJIFZBPHVVIKMM-MFKUBSTISA-N 453.336 5.044 50 10 JKGE COc1cc(NC(=O)/C(C#N)=C/c2ccc(-c3ccc(Br)c(C)c3C)o2)ccc1Cl 58832564 XQOKWZJOJOCIIZ-XNTDXEJSSA-N 485.765 6.534 50 10 JKGE O=C(N/N=C(/CSc1nc2ccccc2[nH]1)c1ccc(-c2ccccc2)cc1)c1ccccc1Cl 59460707 WXBJKGIAUGYETF-FSRJSHLRSA-N 497.023 6.810 50 10 JKGE C[C@@H](NC(=O)/C(C#N)=C\c1ccc(COc2c(Cl)cc(Cl)cc2Cl)o1)c1ccccc1 96504367 VURFATIDJMHISS-SLVCOGOPSA-N 475.759 6.603 50 10 JKGE Cc1ccc([C@H](C(=O)N[C@@H]2CCC[C@H](C)[C@@H]2C)N(Cc2ccccc2Cl)C(=O)CCl)cc1 97914492 SWGOBJYYRGBTBO-ILWHBRQTSA-N 475.460 5.898 50 10 JKGE O=C(NC1CCCCCC1)[C@@H](c1ccc(F)cc1)N(CCc1ccc(Cl)cc1)C(=O)CCl 97914842 PAECLRJLGBIEEG-XMMPIXPASA-N 479.423 5.669 50 10 JKGE O=C(NC1CCCCCC1)[C@H](c1ccc(Cl)cc1)N(CCC1=CCCCC1)C(=O)CCl 97914861 HBQXNGTWAAUHEB-DEOSSOPVSA-N 465.465 6.178 50 10 JKGE CCCCCCCC(=O)N/N=C/c1ccc(OC(=O)c2ccc(OC)c(OC)c2)c(OCC)c1 100869705 MVULQLPXWSAENN-OVVQPSECSA-N 470.566 5.132 50 10 JKGE CCc1ccc(N2C(=O)[C@H](Cc3ccc(C)c(C)c3)S/C2=C(/C#N)C(=O)Nc2cccc(C)c2)cc1 101245414 UYCHCSHCIBTICC-DBJYNHDPSA-N 495.648 6.239 50 10 JKGE CCOC(=O)c1c(N/C=C(\C#N)c2nc(-c3ccc(C)cc3C)cs2)sc2c1CCCC2 102461670 DTTPVUVNVMMBTG-GHRIWEEISA-N 463.628 6.521 50 10 JKGE Cc1ccc([C@H](Br)c2cc(F)c(Br)cc2F)cc1Br 130477157 NOSOVQHFJLCPOQ-AWEZNQCLSA-N 454.934 6.283 50 10 JKGE Cc1ccc(NC(=O)/C(C#N)=C\Nc2ccc(I)cc2C)cc1Cl 217009261 PFVVIGWLKSBMQX-RAXLEYEMSA-N 451.695 5.020 50 10 JKGE N#C/C(=C/Nc1ccc(Cl)c(C(F)(F)F)c1)C(=O)Nc1ccccc1Sc1ccccc1 217243518 FRBRAIYFFBSCTP-PFONDFGASA-N 473.907 6.968 50 10 JKGE CN(Cc1csc(Br)c1)c1cc(Br)ccc1CBr 217331614 OYPAHVRRHDKEIR-UHFFFAOYSA-N 454.025 5.804 50 10 JKGE COc1cc(F)c(Br)cc1[C@@H](Br)c1ccc(I)cc1 234866462 RVAYVBAMBXVDRS-AWEZNQCLSA-N 499.943 5.686 50 10 JKGE COc1ccc([C@@H](Br)c2ccc(Cl)c(Br)c2)c(Br)c1 234977919 XZYIKILOFNTAIH-AWEZNQCLSA-N 469.398 6.358 50 10 JKGE Cc1sc(Br)cc1[C@@H](Br)c1ccc(F)cc1I 235817309 IUWIDEWKWUQTSG-LBPRGKRZSA-N 489.973 6.047 50 10 JKGE Fc1c(Br)cccc1[C@@H](Br)c1cc(Cl)c(Br)s1 236125310 WDHHXBUUAVHTAH-SECBINFHSA-N 463.391 6.550 50 10 JKGE Fc1ccccc1C[C@@H](Br)c1cc(I)ccc1Br 236173549 BDZVKMYUSTUBAC-CYBMUJFWSA-N 483.944 5.872 50 10 JKGE CCOc1cc(C=NNC(=O)CSc2nc3ccccc3s2)ccc1OC(=O)c1ccccc1 252626616 RCFAPKPQKPBKAI-UHFFFAOYSA-N 491.594 5.157 50 10 JKGE Fc1cccc([C@H](Br)c2cc3c(cc2Br)OCC3)c1Br 308418034 QWEXZOHXOPRJOQ-AWEZNQCLSA-N 464.954 5.770 50 10 JKGE Brc1ccccc1[C@H](Br)c1cc(I)cc2c1OCC2 311392019 QZIWPASCCQITQU-AWEZNQCLSA-N 493.964 5.473 50 10 JKGE Cc1cc(C)c([C@@H](Cl)c2cccc(C)c2I)c(C)c1Br 312500010 ZQABFVCFYTYMMU-INIZCTEOSA-N 463.584 6.616 50 10 JKGE C[C@@H]1CN(Cc2ccccc2)CCN(c2ccc(CBr)c(Br)c2)C1 323463721 JNSWQVJCGPUEHI-MRXNPFEDSA-N 452.234 5.302 50 10 JKGE Clc1cccc([C@H](Br)c2cc(I)cc3c2OCC3)c1Cl 380057248 DVLFJPCXVRKLLB-ZDUSSCGKSA-N 483.958 6.017 50 10 JKGE Cc1cc(C)c([C@@H](Br)c2cc(Br)ccc2F)c(C)c1Br 380472834 UMHGTPIYZMOOEX-INIZCTEOSA-N 464.998 6.760 50 10 JKGE Cc1cccc(Br)c1[C@@H](Cl)c1cc(Br)c(Br)s1 384058634 SNZIIHKECPGEJG-NSHDSACASA-N 459.428 6.672 50 10 JKGE C[C@H](Cl)c1nc2cc(I)ccc2n1[C@H]1CN(Cc2ccccc2)C[C@H]1C 389783412 JRCLMNMSHLPGRZ-SIFCLUCFSA-N 479.793 5.634 50 10 JKGE CC(C)(C)OC(=O)NCCN1CCO[C@@H](c2cccc(CO[Si](C)(C)C(C)(C)C)c2)CC1 616596509 YJTJDKLGOVUGFI-JOCHJYFZSA-N 464.723 5.497 50 10 JKGE CC(C)(C)[Si](C)(C)OCCc1ccc([C@H]2CCN(Cc3ccccc3)c3ccccc32)cc1 616675344 PGNZEJAHHWDQEG-HHHXNRCGSA-N 457.734 7.793 50 10 JKGE CC(C)(C)OC(=O)N1CCc2ccccc2[C@H]1c1ccccc1CCO[Si](C)(C)C(C)(C)C 616680670 ONQPCWIGTPSIEQ-VWLOTQADSA-N 467.726 7.134 50 10 JKGE C[C@@H]1[C@H](Br)C[C@H]2CC[C@H]1N2C(=O)c1cc(Br)sc1Br 686196026 WTSHYAIKLBEVJH-KHUVANEUSA-N 472.040 5.050 50 10 JKGE Cl[C@@H](c1cc(Br)c2c(c1)CCCO2)c1sccc1I 689594366 CQFGZJGGBARDHT-LBPRGKRZSA-N 469.569 5.768 50 10 JKGE BrCc1cc(Br)c(OCC[C@H]2CCCCO2)c(Br)c1 699668702 HMIMKEKKLNAUMN-LLVKDONJSA-N 457.000 5.445 50 10 JKGE Cl[C@H](c1ccccc1)c1nnc(-c2scc(Br)c2Br)s1 705466361 UASKKWGCWWPWDB-SNVBAGLBSA-N 450.608 6.120 50 10 JKGE Brc1ccc([C@H](Br)c2ccc(C3CC3)s2)c(Br)c1 707924835 KMKFXQCIHQVPII-AWEZNQCLSA-N 451.021 6.635 50 10 JKGE Cn1cc(COc2c(Br)cc(Cl)cc2CBr)c(Br)n1 708137340 ALOWNEMRKCOSQM-UHFFFAOYSA-N 473.390 5.072 50 10 JKGE C[C@@]1(CBr)CCCCN1C(=O)c1cc(Br)sc1Br 722989947 MRWFVIREBZLWQH-LBPRGKRZSA-N 460.029 5.053 50 10 JKGE N#CCOc1ccc(Br)cc1/C=C(\C#N)C(=O)Nc1cccc(Cl)c1Cl 1083982707 MDPKBDICMQAMBO-XYOKQWHBSA-N 451.107 5.204 50 10 JKGE O=[N+]([O-])c1cccc(N=NN(C[C@H](Br)CBr)c2cccc([N+](=O)[O-])c2)c1 1083982756 CJZKVDPHWZYQRM-LLVKDONJSA-N 487.108 5.167 50 10 JKGE N#C/C(=C\c1ccc(OCc2cccc(F)c2)c(Br)c1)C(=O)NCc1ccccc1 1084056438 GOWJGOFAKYAPEV-RGVLZGJSSA-N 465.322 5.391 50 10 JKGE O=C(NN=Cc1cccc(OCc2ccc(Cl)cc2)c1)C(=O)Nc1cccc(Cl)c1Cl 1084354903 GZLLVMVUJXQCTE-UHFFFAOYSA-N 476.747 5.315 50 10 JKGE COc1ccc(C=NNC(=O)CSc2nc3ccccc3[nH]2)cc1OCc1ccccc1Cl 1772760528 UMZUFFMMAGRBML-UHFFFAOYSA-N 480.977 5.046 50 10 JKGE COc1cccc(C=NNC(=O)CSc2nc3ccccc3[nH]2)c1OCc1ccccc1Cl 1772760601 XOJCXSUBKCRNEQ-UHFFFAOYSA-N 480.977 5.046 50 10 JKGE N#CC1=C(N)Oc2c(c(-c3ccccc3)nn2-c2cccc3ccccc23)[C@@H]1c1ccc(O)c(O)c1 1865680699 SLJRKXVZIAMIED-RUZDIDTESA-N 472.504 5.322 50 10 JKGE CCCCOc1ccc([C@H]2C(C#N)=C(N)Oc3c2c(C)nn3Cc2ccc(Cl)cc2)cc1OCC 1865687591 VOMOSXQHOGTEJJ-VWLOTQADSA-N 493.007 5.689 50 10 JKGE CCCc1nn(-c2ccc(Cl)cc2)c2c1[C@H](c1c(OC)ccc3ccccc13)C(C#N)=C(N)O2 1865688118 JWAJXZHNQWERMB-DEOSSOPVSA-N 470.960 5.858 50 10 JKGE COc1ccc(-c2nn(Cc3cccc(Cl)c3)c3c2[C@H](c2ccc(OC)cc2)C(C#N)=C(N)O3)cc1 1865713451 ZOGSCZXFMKODOD-XMMPIXPASA-N 498.970 5.487 50 10 JKGE Cc1ccc(-c2ccc(C(=O)NNC(=O)[C@H](Cc3ccccc3)c3ccccc3)c(C)n2)cc1C 1865756159 JLAQQGTXKZQCQL-HHHXNRCGSA-N 463.581 5.461 50 10 JKGE COc1ccccc1-c1ccc(C(=O)NNC(=O)/C=C/c2ccc(OCc3ccccc3)cc2)c(C)n1 1865760450 YAEZVRCMLPECFW-XMHGGMMESA-N 493.563 5.119 50 10 JKGE CCOC(=O)c1c(NC(=O)/C(C#N)=C/c2ccc(F)cc2)sc(C(=O)OCc2ccccc2)c1C 1866127512 NJFBAAQGDVHDGW-CPNJWEJPSA-N 492.528 5.275 50 10 JKGE CCOC(=O)c1c(-c2ccc(C)c(C)c2)csc1NC(=O)/C(C#N)=C/c1cccc(Cl)c1 1866130056 YEFDPLBSTHFZRR-YBFXNURJSA-N 464.974 6.408 50 10 JKGE COCCOc1ccc(/C=C(\C#N)C(=O)Nc2cc(C(F)(F)F)ccc2N2CCCCC2)cc1 1866213906 JLUMJUANEJXONA-XDJHFCHBSA-N 473.495 5.267 50 10 JKGE Cc1ccc(-c2nc(Nc3ccc(SC#N)cc3)cc(N3CC[C@H](c4ccco4)C3)n2)cc1 1868321072 UAHXZTGQHPSARC-FQEVSTJZSA-N 453.571 6.356 50 10 JKGE COc1cccc(-c2nc(Nc3ccc(SC#N)cc3)cc(N3CCc4ccc([N+](=O)[O-])cc43)n2)c1 1868506335 VEYWPQNCERFNRE-UHFFFAOYSA-N 496.552 6.071 50 10 JKGE CC(C)(C)c1ccc(-c2nc(Nc3ccc(SC#N)cc3)cc(N3CCC[C@@H](CO)C3)n2)cc1 1868544905 NLJSQUNDKGXKLU-LJQANCHMSA-N 473.646 5.967 50 10 JKGE COc1c(Cl)cc(Cl)cc1-c1csc(/C(C#N)=C(\O)[C@@H](C)Oc2ccccc2C(C)C)n1 1872754540 XPFLORBBWHHWOZ-FSXJBPCSSA-N 489.424 7.509 50 10 JKGE Cc1cc(C)c(-c2csc(/C(C#N)=C(\O)CCCOc3ccc(C(C)(C)C)cc3)n2)c(C)c1 1872757223 VKFSDNJOGRKEBK-BZZOAKBMSA-N 460.643 7.685 50 10 JKGE Cl[C@H](c1cscc1OCc1ccccc1)c1cc(Br)ccc1OCc1ccccc1 1899866003 LYTCNYMPGZIFEU-VWLOTQADSA-N 499.857 7.997 50 10 JKGE Clc1ccsc1[C@H](Br)c1ccc(OCc2ccccc2)cc1Br 1899882801 LPWPZPHZBOGMEV-QGZVFWFLSA-N 472.629 7.227 50 10 JKGE Clc1c(Br)sc(Br)c1[C@@H](Br)C1CCOCC1 1923068719 VOOZONUFYXPQTB-ZETCQYMHSA-N 453.421 5.789 50 10 JKGE C[C@H](c1ccncc1Br)[C@@H](Br)c1c(F)cccc1Br 1924042242 ZHTLLSLMAXAMKW-XLKFXECMSA-N 451.959 5.985 50 10 JKGE COCC1([C@@H](Cl)c2c(Br)sc(Br)c2Br)CCCC1 1924570497 KIIHWSZJAUKBDH-VIFPVBQESA-N 481.475 6.522 50 10 JKGE Cl[C@H](c1ccc2c(c1)CCC2)c1c(Br)sc(Br)c1Br 1924597140 YAUIPWSPBHWJCM-GFCCVEGCSA-N 485.466 6.853 50 10 JKGE Fc1ccc([C@H](Br)c2cc(I)sn2)cc1Br 1983286488 QKRUGWVAWLAKTH-JTQLQIEISA-N 476.934 5.134 50 10 JKGE CCC[C@@H]1C[C@@H]1[C@@H](Cl)c1c(Br)sc(Br)c1Br 1992935981 HJILGEYOSJSKNL-QIOHGKGESA-N 451.449 6.752 50 10 JKGE Brc1ccc([C@H](Br)c2ccc(Br)o2)c(Br)c1 1994135626 PVRQWKRXYKVSEQ-NSHDSACASA-N 473.784 6.051 50 10 JKGE Cc1cc(Cl)c(Br)cc1[C@@H](Br)c1csnc1Br 2023705829 MCOQSKSGLRYMBT-SNVBAGLBSA-N 460.416 6.114 50 10 JKGE Fc1cnccc1C[C@H](Br)c1cc(Br)ccc1I 2033936971 YKYYBGXPQMVCPL-NSHDSACASA-N 484.932 5.267 50 10 JKGE COc1sc([C@H](Br)c2cccc(Br)c2Cl)cc1Br 2034630360 VKLNNXGZZRITMO-SNVBAGLBSA-N 475.427 6.419 50 10 JKGE CC(C)(CBr)CN(CCCNC(=O)OC(C)(C)C)c1cccc(Br)c1 2044702834 OPIHVWOAFGOPBX-UHFFFAOYSA-N 478.269 5.591 50 10 JKGE Clc1ccc(C[C@@H](CBr)c2ccccc2Br)c(Br)c1 2088514354 JVLAZKADBRWNGG-NSHDSACASA-N 467.426 6.586 50 10 JKGE CC(C)Cc1ccccc1[C@H](Br)c1cc(Br)c(Br)s1 2089373056 TUDKUXWAJOJVLU-AWEZNQCLSA-N 467.064 6.956 50 10 JKGE C[C@@H]1CCC[C@@H]1CC(CBr)(CBr)c1ccc(Br)cc1 2093452920 HKEJIYUXADXDIS-CHWSQXEVSA-N 453.056 6.303 50 10 JKGE CN(CCN(Cc1ccccc1)S(=O)(=O)c1c(CCl)sc2ccccc12)Cc1ccccc1 2095885348 MPRUTSKDESQTDJ-UHFFFAOYSA-N 499.101 5.963 50 10 JKGE FC1(F)C[C@]12CCC[C@H]([C@H](Br)c1cc(Br)sc1Br)C2 2099910970 IOEJAUFLMBWYIM-VIRWGQHYSA-N 479.022 6.925 50 10 JKGE COc1cc(Br)c([C@@H](Br)c2cscc2OCc2ccccc2)cc1OC 2100094267 WSYGLSRLLWHOAO-HXUWFJFHSA-N 498.236 6.591 50 10 JKGE Cc1csc(CN(C)c2ccc(CBr)c(Br)c2)c1Br 2100798512 FMZZXEJEBKIQPS-UHFFFAOYSA-N 468.052 6.113 50 10 JKGE CC1(C)CCC[C@@H]([C@@H](Br)c2c(Br)sc(Br)c2Cl)CC1 2100837958 HNYQFOAXIHCTLX-PSASIEDQSA-N 493.530 7.969 50 10 JKGE C[C@H]1CCC[C@@](CBr)(Cc2cc(Cl)ccc2I)CC1 2100839646 USASJTKDULXVRM-LRDDRELGSA-N 455.605 6.469 50 10 JKGE FC1(F)CC2(CC([C@@H](Br)c3c(Br)sc(Br)c3Cl)C2)C1 2102620089 NWJYCOSIMBIQIS-SSDOTTSWSA-N 499.440 7.188 50 10 JKGE CN(Cc1ccccc1)CC(C)(C)n1c(CCl)nc2cc(Br)c(Cl)cc21 2103623315 KDOVDXXTLUQZFB-UHFFFAOYSA-N 455.227 6.058 50 10 JKGE Clc1ccc(I)c([C@@H](Br)Cc2c(Cl)cccc2Cl)c1 2104785901 ZWWCDXNYLUVRFZ-NSHDSACASA-N 490.393 6.930 50 10 JKGE CN(c1cc(Br)cc(F)c1CBr)[C@@H]1CC(C)(C)[C@@H]1OCc1ccccc1 2114267221 DRTYWGHGJZQUIX-WOJBJXKFSA-N 485.235 6.303 50 10 JKGE Clc1c(Br)sc(Br)c1[C@@H](Br)[C@@H]1CCCCC12CCC2 2117006489 FDQKABQVNLVEFI-WPRPVWTQSA-N 491.514 7.723 50 10 JKGE Brc1cccc(CN2C[C@H](Br)C3(CCCC3)C2)c1Br 2117736726 JBCLPNMIVVLEIM-ZDUSSCGKSA-N 452.028 5.351 50 10 JKGE C[C@H](CCCCCI)NCc1ccc(Cl)c(Br)c1F 2117884136 WROCJBMDMROKJG-SNVBAGLBSA-N 462.572 5.715 50 10 JKGE Cc1ccc(S(=O)(=O)N(CCC(F)(F)F)Cc2ccccc2)cc1CBr 2123199134 NZEDHCZGEQYIDC-UHFFFAOYSA-N 450.320 5.033 50 10 JKGE Cc1c(Br)ccc([C@H](Br)[C@H]2CC3(CCC3)CO2)c1Br 2138870053 GAVMQLPQRUJZAO-OCCSQVGLSA-N 453.012 5.915 50 10 JKGE Cc1c(Br)c(C[C@@H](CBr)Cc2cccc(Br)c2)nn1C 2150236998 HIBJJLGBUNANEX-LBPRGKRZSA-N 465.027 5.050 50 10 JKGE Fc1c([C@H](Br)c2sc(Cl)cc2Br)cccc1C(F)(F)F 2154474803 CSSOKOHUTSQUIH-VIFPVBQESA-N 452.492 6.806 50 10 JKGE C[C@@H](Cl)c1nc2cc(Br)c(Cl)cc2n1C[C@@H]1CCCN1Cc1ccccc1 2160079605 QWDPGJJUKVVNON-ZBFHGGJFSA-N 467.238 6.417 50 10 JKGE FC(F)(F)[C@@H]1CN(Cc2cc(Br)ccc2Br)C[C@H]1CBr 2175153191 VMFLMPOJEGBQEN-MWLCHTKSSA-N 479.960 5.217 50 10 JKGE COc1cc(C)c(Br)cc1[C@H](Br)c1c(Br)c(C)nn1C 2192375526 QDRJVPOXXISYBR-ZDUSSCGKSA-N 466.999 5.055 50 10 JKGE Cc1cc(Br)c(C)c([C@@H](Br)CC(C)(C)C(F)(F)F)c1Br 2201066658 CPVQWUVOCIJAQL-JTQLQIEISA-N 480.988 7.243 50 10 JKGE Cc1cc(Br)c(C)c([C@@H](Cl)c2cc(F)cc(Br)c2)c1Br 2201079214 RCUVVKSXACCELL-HNNXBMFYSA-N 485.416 7.058 50 10 JKGE O=S1(=O)C[C@@H]2CCC[C@]2([C@@H](Cl)c2c(Br)sc(Br)c2Cl)C1 2201876254 KCPRKUKFTMRIRE-HQLZOWSPSA-N 483.074 5.421 50 10 JKGE Fc1ccc(CO[C@@H](CI)c2cccc(Cl)c2)c(Br)c1 2206265767 KZTRZKDSLDDUHU-HNNXBMFYSA-N 469.519 5.935 50 10 JKGE Cl[C@@H](Cc1nc2ccccc2o1)c1ccc(Br)cc1I 2207268476 LUCQLIWZYDUBKE-NSHDSACASA-N 462.512 5.718 50 10 JKGE Clc1cc(C[C@@H](CBr)Cc2ccccc2Cl)ccc1I 2208045088 OUUWZPCZXNAWRS-GFCCVEGCSA-N 484.002 6.394 50 10 JKGE Cl[C@@H]1CCCCC[C@H]1c1sc(Br)c(Br)c1Br 2212200434 MPMUOHDZYSSFSD-RNFRBKRXSA-N 451.449 6.691 50 10 JKGE Cc1cc([C@@H](Br)c2sc(Br)c(C)c2C)c(Br)s1 2213618679 IDIOVXCWUKHKAR-SECBINFHSA-N 459.066 6.744 50 10 JKGE Fc1cc(Br)c(Br)cc1[C@H](Cl)c1cccc(Br)c1 2218598739 VZDAEZCRQOXPGX-CYBMUJFWSA-N 457.362 6.441 50 10 JKGE CC1(C)CC12CC([C@@H](Br)c1cc(Br)c(Br)cc1F)C2 2225617166 MGAUYQISDGGUGR-XIWGSEKOSA-N 455.003 6.613 50 10 JKGE CCc1ccsc1[C@H](Br)c1c(Br)cc(C)c(Br)c1C 2227353925 VGLRZOXFUGFUCU-CQSZACIVSA-N 467.064 6.937 50 10 JKGE Cc1cc(Br)c([C@H](Br)c2cc(Br)c3c(c2)CCO3)s1 2229329695 MITZEGCJJHMAQO-GFCCVEGCSA-N 467.020 6.001 50 10 JKGE Fc1cccc([C@@H](Br)Cc2cc(Cl)cc(Cl)c2)c1I 2232135354 GKDUGTBELMMRAI-LBPRGKRZSA-N 473.938 6.416 50 10 JKGE BrC[C@@H]1C[C@H]2CCCC[C@H]2N1Cc1ccc(Br)cc1Br 2240680045 RLZOQHXGIXIFMH-DIOULYMOSA-N 466.055 5.740 50 10 JKGE COc1cc(Cl)c(Cl)cc1[C@H](Br)c1ccc(OCc2ccccc2)cc1 2264364392 GZYLEJCRPOVHFI-OAQYLSRUSA-N 452.175 7.065 50 10 JKGE COc1ccc([C@H](Br)c2cn(C)nc2Br)c(Br)c1Cl 2268276360 JUHVMRSETQSMPQ-VIFPVBQESA-N 473.390 5.091 50 10 JKGE Fc1cc(Br)c(F)c(Br)c1[C@@H](Br)CC[C@@H]1CCOC1 2272733604 MSCXMBKVCVPWND-SFYZADRCSA-N 462.954 5.743 50 10 JKGE COc1cc(C=C(C#N)C(=O)Nc2cc(C)ccc2C)ccc1OCc1cccc2ccccc12 2293523571 RZLHNMNEQWCLDO-UHFFFAOYSA-N 462.549 6.590 50 10 JKGE Clc1cccc(Cl)c1C[C@@H](Br)c1cc2sc(Br)cc2s1 2295506914 POBLHQLHWMVJQK-MRVPVSSYSA-N 471.066 7.711 50 10 JKGE C=CCOc1ccc(-c2nn(-c3ccccc3)cc2C=C(C#N)C(=O)NC2CCCCC2)cc1 2296729437 KGJUJUCZVVFHLG-UHFFFAOYSA-N 452.558 5.460 50 10 JKGE N#CC(=Cc1cccc(Cl)c1)c1nc(-c2cc3cc(Br)ccc3oc2=O)cs1 2297213714 IXFBCZKTHVPEJI-UHFFFAOYSA-N 469.747 6.397 50 10 JKGE COCC1([C@H](Br)c2ccc(OCc3ccccc3)cc2Br)CCC1 2299489349 OIAMQCKIJJJKGO-LJQANCHMSA-N 454.202 6.281 50 10 JKGE Brc1cc(OCc2ccccc2)cc2c1CC[C@@H](C1CC1)C[C@@H]2Br 2299516725 DPBWGLPDAUFHBT-UZLBHIALSA-N 450.214 6.827 50 10 JKGE COc1ccc(C=C(C#N)C(=O)Nc2ccc(Cl)cc2)cc1OCc1ccc(Cl)cc1 2313631347 OLSGMEDHHFWSSY-UHFFFAOYSA-N 453.325 6.127 50 10 JKGE Cc1ccc(C[C@@H]2SC(=C(C#N)C(=O)Nc3cccc(C)c3)N(c3ccc(C(C)C)cc3)C2=O)cc1 2314591804 FKCQEDVGWQXEIK-MHZLTWQESA-N 495.648 6.492 50 10 JKGE CC1(C)C[C@@]1(C)[C@@H](Br)c1c(Cl)cc(Br)c(F)c1Br 2315457194 AJSGISHPHFBMQJ-AAEUAGOBSA-N 463.410 6.876 50 10 JKGE Cc1cc(Br)c(F)c(Br)c1[C@H](Br)[C@H]1[C@H](C)C1(F)F 2317400468 NJQLRPWXWPAFSH-NGESMGFYSA-N 450.918 5.996 50 10 JKGE CC[C@@H]1C[C@@H]1C[C@H](Br)c1c(Cl)cc(Br)c(F)c1Br 2320399088 QGZYAZPZBYHXAB-PRJMDXOYSA-N 463.410 6.876 50 10 JKGE CCOc1cc(C=NNC(=O)c2ccc(O)cc2)ccc1OCc1ccc(Cl)cc1Cl 2323086111 XNGKQSKOAPHSJR-UHFFFAOYSA-N 459.329 5.441 50 10 JKGE CC(C)(C)OC(=O)N1CCC[C@H]1C(=O)NN=Cc1c(OCc2ccccc2)ccc2ccccc12 2328829449 CPZKMCZZKOUMEV-DEOSSOPVSA-N 473.573 5.268 50 10 JKGE CCCCCCOC(=O)c1ccc(NC(=O)C(C#N)=Cc2ccc(Br)cc2)cc1 2329663560 ZKSCTXCEVSWABD-UHFFFAOYSA-N 455.352 5.732 50 10 JKGE N#CC(=Cc1cccc(OCc2ccc(Cl)cc2Cl)c1)c1cc2c(cc1[N+](=O)[O-])OCCO2 2331051472 YGDGIMLGYFKDER-UHFFFAOYSA-N 483.307 6.316 50 10 JKGE Cc1ccc(-c2csc(C(C#N)=C(O)[C@@H](C(C)C)N3C(=O)c4ccccc4C3=O)n2)cc1C 2331382702 XCEYNVDHFYLERT-JOCHJYFZSA-N 457.555 5.540 50 10 JKGE COc1ccc(Cl)cc1-c1csc(C(C#N)=C(O)c2c(Cl)ccc(Cl)c2OC)n1 2331411140 SOLRRXRMRLWHPR-UHFFFAOYSA-N 467.761 6.737 50 10 JKGE C=C1C(=O)O[C@@H]2C[C@@H]3[C@]4(C)CC[C@H]([C@H](C)CCC=C(C)C=O)[C@]4(C)CC[C@]34C[C@]4(CCC(=O)O)[C@@H]12 2333297259 YLQIANWVVVMWMO-ADSOAJOJSA-N 482.661 6.123 50 10 JKGE CO[C@H]1C[C@H]([C@H](Br)c2cc(Br)ccc2OCc2ccccc2)C[C@H]1OC 2336039533 XQVJYKITOPFCTE-KQLYMOGASA-N 484.228 5.904 50 10 JKGE CCCc1ccccc1[C@@H](Br)c1ccc(OCc2ccccc2)cc1Br 2336052975 FVAUHLICMVECSW-HSZRJFAPSA-N 474.236 7.465 50 10 JKGE CCc1nn(C)c([C@@H](Br)c2ccc(OCc3ccccc3)cc2Br)c1Cl 2336084680 VZNXBGRHHRBAQV-SFHVURJKSA-N 498.646 6.462 50 10 JKGE CC1CCC(CBr)(OCc2cc(Br)cc(Br)c2)CC1 2337103935 LFDMFXYVOSXVGS-UHFFFAOYSA-N 455.028 6.072 50 10 JKGE Cc1cc([C@H](Br)c2c(Br)c(Br)nn2C)c(C)cc1Cl 2338704545 DVTDLLNAEGXIHB-JTQLQIEISA-N 471.418 5.700 50 10 JKGE Cc1cc(Br)c(F)c(Br)c1[C@H](Br)[C@H]1CC(C)(C)CO1 2339652758 CATBHEIQOGTEDZ-MWLCHTKSSA-N 458.991 5.910 50 10 JKGE Fc1ccc([C@H](CI)OCc2cccc(I)c2)cc1 2341611634 LEDMLHPJOWNFLC-HNNXBMFYSA-N 482.074 5.123 50 10 JKGE CC(C)c1cccc([C@@H](Br)c2ccc(OCc3ccccc3)cc2Br)c1 2343663258 UHLDBUBWQGVLQS-HSZRJFAPSA-N 474.236 7.636 50 10 JKGE Fc1c(Br)cc(Cl)c([C@@H](Br)[C@@H]2O[C@H]3CC[C@H]2C3)c1Br 2352553491 LGSGKTLMEVAFHV-COUWPZEDSA-N 477.393 6.008 50 10 JKGE CCn1cc([C@@H](Cl)c2c(F)cc(Cl)c(Br)c2Cl)nc1Br 2360492105 JENDIKKOYWGVKT-SNVBAGLBSA-N 465.375 6.202 50 10 JKGE Fc1c(Br)cc(Cl)c([C@@H](Br)C2CC3(C2)CC3(F)F)c1Br 2362224244 KRDKNLGCYWUEIL-MFOBGVTRSA-N 497.374 6.876 50 10 JKGE Fc1c(Br)cc(Cl)c([C@@H](Br)C[C@H]2CCCOCC2)c1Br 2362246666 CETNKHWWJCCSGP-IUCAKERBSA-N 493.436 6.647 50 10 JKGE COc1cc(Cl)c(CBr)c(N(C)C[C@H]2CCCCN2Cc2ccccc2)c1 2365804152 TUTGMWLQQPGGFI-GOSISDBHSA-N 451.836 5.734 50 10 JKGE N#C/C(=C/c1c(OCc2ccc([N+](=O)[O-])cc2)ccc2ccccc12)C(=O)NCc1ccco1 1102861 UMQWIMPHMKYJNR-ZHZULCJRSA-N 453.454 5.143 50 10 JKGE COc1c(OCc2c(C)cc(C)cc2C)cccc1[C@H]1[C@H]2CCCC=C2C(C#N)=C(N)C1(C#N)C#N 1457021 FCRRCGGEMZDDTE-WXVAWEFUSA-N 478.596 5.793 50 10 JKGE CC(C)Oc1cccc(C(=O)NNC(=O)c2ccc(NC(=O)c3ccc(C(C)(C)C)cc3)cc2)c1 10471703 RMOJUJIQHBRWGX-UHFFFAOYSA-N 473.573 5.098 50 10 JKGE CC[C@@H](Oc1ccccc1[C@H](C)CC)C(=O)NNC(=O)c1ccccc1OCc1ccccc1 10683868 BCFVQPAMQMMZQZ-HYBUGGRVSA-N 460.574 5.398 50 10 JKGE Cc1ccc(-c2nn(-c3ccccc3)cc2/C=N/NC(=O)[C@@H](C)Oc2cccc3ccccc23)cc1 20368423 IDJCNLWNTPKWBC-ZTCXCAHESA-N 474.564 5.919 50 10 JKGE CC(C)(C)c1ccc([C@H]2C[C@@H]2C(=O)N/N=C/c2ccc(-c3ccc(Cl)c(Cl)c3)o2)cc1 33745557 JMTPSXFSBCCNEQ-OTBZSIFLSA-N 455.385 6.805 50 10 JKGE CCOc1ccc(NC(=O)/C(C#N)=C/c2cn(Cc3cccc(C(=O)OC)c3)c3ccccc23)cc1 35419406 LXEFFYOSLGHIEK-CJLVFECKSA-N 479.536 5.421 50 10 JKGE Cc1cccc(C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@@H]3c2ccc(OCc3ccccc3)cc2)c1 38650895 WOWQXMLYKILTKW-GDLZYMKVSA-N 488.543 6.011 50 10 JKGE N#CC1=C(N)Oc2cc(OC(=O)COc3ccc(F)cc3)ccc2[C@@H]1c1ccc(Cl)c(Cl)c1 38655725 DGFFNCRKZQMLJD-QHCPKHFHSA-N 485.298 5.335 50 10 JKGE COc1ccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)Cc4cccc5ccccc45)ccc32)c(OC)c1 38657045 QGHVSKPEIGLBSR-GDLZYMKVSA-N 492.531 5.223 50 10 JKGE Cc1ccc(C(=O)N/N=C2\CCCc3oc(C(=O)Nc4ccccc4Br)c(C)c32)cc1 40804704 MQALBTVDAYGFIY-ZXVVBBHZSA-N 480.362 5.382 50 10 JKGE Cc1c(C(=O)Nc2ccc(Oc3ccccc3)cc2)oc2c1/C(=N/NC(=O)c1ccncc1)CCC2 40813938 QUKQEVHAEGMKMN-UQRQXUALSA-N 480.524 5.498 50 10 JKGE COc1ccccc1NC(=O)c1oc2c(c1C)/C(=N/NC(=O)Cc1coc3cc(C)cc(C)c13)CCC2 40826970 FVDVQPFARDTAPZ-NJZRLIGZSA-N 499.567 5.611 50 10 JKGE Cl[C@@H]1C[C@@H](Oc2c(Br)cc(Br)cc2Br)C12CCCCC2 97646529 IVVOHPJHBGCBJN-CHWSQXEVSA-N 487.457 6.683 50 10 JKGE COc1cc([C@@H](C(=O)NC2CCCCC2)N(Cc2ccccc2)C(=O)CCl)ccc1OC(C)C 97914689 ARRHBUIHKDVMGY-SANMLTNESA-N 487.040 5.240 50 10 JKGE Cc1ccc(CN(Cc2ccccc2)C(=O)CN(C(=O)C(Cl)Cl)C2CCCCC2)s1 98019736 CVISFMGVRKEBIZ-UHFFFAOYSA-N 467.462 5.550 50 10 JKGE CC(C)(C)[C@H]1CC2=C(OC(N)=C(C#N)[C@H]2c2ccccc2Cl)/C(=C\c2ccccc2Cl)C1 98064678 DCDCHBSBVCLMAN-UIYMMARJSA-N 465.424 7.595 50 10 JKGE CCCN1C(=O)C(C#N)=C(C)/C(=C\c2cn(-c3ccccc3)nc2-c2ccc(OC(C)C)cc2)C1=O 101332799 NHJLCBOIIYOKCG-PCLIKHOPSA-N 480.568 5.329 50 10 JKGE COc1ccc(OCCOc2ccc(/C=C(/C#N)C(=O)Nc3nc4ccccc4s3)cc2)cc1 102444160 BUOJWDFHAKKNBW-MNDPQUGUSA-N 471.538 5.308 50 10 JKGE COc1ccc(CSc2nnc(SCC(=O)/C(C#N)=C3\Sc4ccccc4N3C)s2)cc1 102954481 CQTNSEOVQNYYNQ-SILNSSARSA-N 498.680 5.477 50 10 JKGE Cc1sc(Br)cc1[C@@H](Br)c1cccc(I)c1 114635089 FYMOVHWXQGMNFU-LBPRGKRZSA-N 471.983 5.908 50 10 JKGE Clc1ccc([C@H](Br)c2ccc(I)cc2)c2ccccc12 127353850 DDDCCENCRVRALB-QGZVFWFLSA-N 457.536 6.582 50 10 JKGE CN1C(=O)Cc2cc([C@@H](Br)c3cc(Br)c(Br)s3)ccc21 128551786 QOSFIZCLJDQRIB-CYBMUJFWSA-N 480.019 5.276 50 10 JKGE FC(F)(F)c1ccc(Br)c([C@@H](Br)c2ccc(Cl)cc2Cl)c1 159843010 QWWLBUAOVLOEQR-ZDUSSCGKSA-N 462.918 7.259 50 10 JKGE Cc1cc(Br)c([C@@H](Br)CC2CCCCCC2)cc1Br 162210399 NVSBHXXTZGMJBM-INIZCTEOSA-N 453.056 7.317 50 10 JKGE O=C(Cl)c1ccc(OCCCCCCCCCCOc2ccc(C(=O)Cl)cc2)cc1 196032679 OJVJDOADKZGZIZ-UHFFFAOYSA-N 451.390 7.023 50 10 JKGE CCCCOc1ccccc1/C=C\C(=O)Oc1ccc(/C=C(/C#N)C(=O)NCc2ccco2)cc1 206955302 CXKYASWMTCQMFR-BQHHDFKZSA-N 470.525 5.301 50 10 JKGE N#C/C(=C/Nc1ccc(Cl)cc1C(F)(F)F)C(=O)NC(c1ccccc1)c1ccccc1 216979016 XHUOQIGICHYLNC-SDXDJHTJSA-N 455.867 6.084 50 10 JKGE FC(F)(F)c1cc(Br)ccc1[C@H](Br)c1sccc1Br 229518947 FRUIFXNZMVHLKG-JTQLQIEISA-N 478.953 6.776 50 10 JKGE C[C@@H]1Cc2cc([C@@H](Br)c3cc(Br)sc3Br)ccc2O1 235406803 XBZILZASZTYONE-FUXBKTLASA-N 467.020 6.081 50 10 JKGE O=C(NN=Cc1c(O)ccc2ccccc12)c1ccc(Nc2nc(-c3ccccc3)cs2)cc1 252631455 VLACLRDJTBYKBR-UHFFFAOYSA-N 464.550 6.176 50 10 JKGE CCOc1cc(C=NNC(=O)c2cc3cc([N+](=O)[O-])ccc3o2)ccc1OCc1ccc(C)cc1 254524095 LGDCWGPESYDDSE-UHFFFAOYSA-N 473.485 5.391 50 10 JKGE Cc1ccc(-c2nnc(SCC(=O)NN=Cc3ccc(C(C)C)cc3)n2C2CCCCC2)cc1 254867254 CQRCHUCNUAQAKI-UHFFFAOYSA-N 475.662 6.125 50 10 JKGE C(=Nc1ccccc1)c1ccc(N=P(c2ccccc2)(c2ccccc2)c2ccccc2)cc1 263625833 IJYDHLJYQGEXHB-UHFFFAOYSA-N 456.529 7.246 50 10 JKGE FC1(F)CCCC[C@@H]1[C@H](Br)c1cc(Br)sc1Br 327757531 MUPCOSUOZXBJOQ-VXNVDRBHSA-N 452.984 6.535 50 10 JKGE C[C@@H](Cl)c1nc2cc(Br)c(F)cc2n1C(C)(C)CN(C)Cc1ccccc1 379632973 NGTOSULKWZRGAE-CQSZACIVSA-N 452.799 6.105 50 10 JKGE Brc1cscc1[C@H](Br)c1cc2c(cc1Br)OCCCO2 404738591 NPRXVNJQKYVNFV-CQSZACIVSA-N 483.019 5.919 50 10 JKGE CC(C)(C)[Si](C)(C)OCCc1ccccc1[C@H]1COCCN(CCO[Si](C)(C)C(C)(C)C)C1 616662464 BOZORWINSMFMRT-XMMPIXPASA-N 493.881 6.689 50 10 JKGE Brc1cc([C@@H](Br)c2cc(Br)c3c(c2)CCCO3)cs1 689526683 KAESJIGXUUYARC-ZDUSSCGKSA-N 467.020 6.082 50 10 JKGE Fc1cc([C@H](Br)c2ccc(F)c(Br)c2F)ccc1Br 691633447 DXYQYSAZOHWDPW-NSHDSACASA-N 458.897 6.113 50 10 JKGE Cc1ccc(Br)cc1CC(CBr)(CBr)C1CCCCC1 711311857 JSXWDEAOQAZUBD-UHFFFAOYSA-N 467.083 6.657 50 10 JKGE BrCc1ccc(N2CC[C@@H]3[C@H](CCCN3Cc3ccccc3)C2)c(Br)c1 715014980 MLNHZIFCWXENKI-TZIWHRDSSA-N 478.272 5.835 50 10 JKGE Cc1cc(C=NNC(=O)CSCc2ccccc2Cl)c(C)n1-c1cc(Cl)ccc1Cl 725423978 GIQCUUBWQONOON-UHFFFAOYSA-N 480.848 6.438 50 10 JKGE C=CCc1cc(/C=C(\C#N)C(=O)N(C)C)cc(Br)c1OCc1cccc2ccccc12 1084420293 CMXWDMJRYOYZRO-HYARGMPZSA-N 475.386 5.905 50 10 JKGE Cc1nn(-c2ccccc2)c(C)c1C=NNC(=O)COc1ccc(C(C)(C)c2ccccc2)cc1 1084587432 KKYVDKBIGYVVLQ-UHFFFAOYSA-N 466.585 5.344 50 10 JKGE O=C(NN=Cc1c(O)ccc2ccccc12)c1cccc(NC(=O)c2ccccc2Br)c1 1084597137 KGKXQBJJGYLISZ-UHFFFAOYSA-N 488.341 5.324 50 10 JKGE CCc1ccc(NC(=O)c2oc3c(c2C)C(=NNC(=O)c2cccc4ccccc24)CCC3)cc1 1772748229 OWGRORTZQBKVKN-UHFFFAOYSA-N 465.553 6.026 50 10 JKGE CCCc1ccc(OCC(=O)NN=Cc2c(OCC)ccc3ccccc23)c(Br)c1 1772755884 IBSCGYIYNPBAAZ-UHFFFAOYSA-N 469.379 5.483 50 10 JKGE Cc1ccc(C)c(OCC(=O)Nc2cccc3c(OC(=O)Nc4ccc(SC#N)cc4)cccc23)c1 1858773535 HMTFEABUZFXTMX-UHFFFAOYSA-N 497.576 6.658 50 10 JKGE CCOC(=O)c1cnn(-c2cc(C)c3cccc(C)c3n2)c1N/C(C=O)=C\c1ccccc1C 1859490567 VUHFWBIJWBBKDV-STZFKDTASA-N 454.530 5.174 50 10 JKGE CC(C)c1ccc(/C=C/C(=O)N/N=C2\C(=O)N(Cc3ccccc3Cl)c3ccccc32)cc1 1860822420 DFUYDNZCNOXIPF-FYPDOCMQSA-N 457.961 5.544 50 10 JKGE COc1ccc(-c2nn(-c3ccc(Cl)cc3)c3c2[C@@H](c2cccc(O)c2)C(C#N)=C(N)O3)cc1 1865681083 DQIZJJISDPTFKV-QFIPXVFZSA-N 470.916 5.125 50 10 JKGE CCCCCOc1ccc([C@H]2C(C#N)=C(N)Oc3c2c(CCC)nn3Cc2ccccc2)cc1 1865690671 YOTULLWRSYEPDR-VWLOTQADSA-N 456.590 5.671 50 10 JKGE CCCc1nn(Cc2ccc(Cl)cc2)c2c1[C@@H](c1ccc(N(CC)CC)cc1)C(C#N)=C(N)O2 1865701640 AFRWKLCFTXKLQF-DEOSSOPVSA-N 476.024 5.602 50 10 JKGE CCCOc1ccccc1[C@H]1C(C#N)=C(N)Oc2c1c(-c1ccccc1)nn2Cc1cccc(F)c1 1865703659 YJRZMCRXPNMPIG-VWLOTQADSA-N 480.543 5.744 50 10 JKGE Cc1ccc(SCCCC(=O)NNC(=O)/C=C/c2ccc(OCc3ccccc3)cc2)cc1 1865755641 JOBDZKNXTQGBME-QGOAFFKASA-N 460.599 5.307 50 10 JKGE COC(=O)c1c(NC(=O)/C(C#N)=C/c2ccc(OC)cc2)sc2c1CC[C@@H](C(C)(C)C)C2 1866126728 KJJWLSWZHFCQLS-NWNNTGRJSA-N 452.576 5.240 50 10 JKGE CC[C@@](C)(NC(=O)C[C@@H](c1ccc(OC)c(C)c1)C(C)C)C(=O)Nc1ccc(SC#N)cc1 1866772984 WEGGAPPDOYLUNH-ATIYNZHBSA-N 467.635 5.630 50 10 JKGE CCc1ccc([C@@H]2CN(c3cc(Nc4ccc(SC#N)cc4)nc(C(C)C)n3)CCO2)cc1 1868231912 WMTMJWZFWKBXRM-QHCPKHFHSA-N 459.619 6.057 50 10 JKGE COc1cc2nc(/C(C#N)=C/c3c(OCc4ccccc4)ccc4ccccc34)nc(O)c2cc1OC 1872727629 PJRDTGAAZMKSCR-KGENOOAVSA-N 489.531 6.149 50 10 JKGE CCCOc1ccc(-c2csc(/C(C#N)=C(\O)CNC(=O)c3ccc(Cl)cc3)n2)cc1 1872749137 CKVSDBXIHVYVRS-VZCXRCSSSA-N 453.951 5.475 50 10 JKGE CCCOc1ccc(-c2csc(/C(C#N)=C(\O)c3ccc(N4CCCC4)c([N+](=O)[O-])c3)n2)cc1 1872749758 HEFCMTPTRWGJKL-GFMRDNFCSA-N 476.558 6.057 50 10 JKGE COc1cc(C)c(-c2csc(/C(C#N)=C(\O)CCCOc3ccccc3C)n2)cc1C(C)C 1872753948 VVAQEVXPAVZTFK-GYHWCHFESA-N 462.615 7.211 50 10 JKGE COc1cc(Cl)c(C)cc1-c1csc(/C(C#N)=C(O)/C=C\c2ccc3c(c2)OCCO3)n1 1872757098 QNSSSQOFHACWML-CYUJGTJISA-N 466.946 6.058 50 10 JKGE CC[C@@H](C)[C@H](/C(O)=C(\C#N)c1nc(-c2cc(C)ccc2OC)cs1)N1C(=O)c2ccccc2C1=O 1873921030 QOMFFHUYPHXZEX-JXJCKGHXSA-N 487.581 5.631 50 10 JKGE CC(C)(C)OC(=O)NC1CCC2(CC1)CC([C@@H](CBr)NC(=O)OC(C)(C)C)C2 1885096369 IUMUSUXSWVTKQJ-SRDOIIAQSA-N 461.441 5.138 50 10 JKGE ClCC[C@H](COCc1ccccc1)NCc1ccc(Br)cc1Br 1902887404 KZQLJEWTFVDIET-QGZVFWFLSA-N 461.625 5.516 50 10 JKGE C[C@H](CCBr)N(Cc1ccccc1)C(=O)c1ccc(I)cc1 1915114828 JHAOCMAVNVFFEK-CQSZACIVSA-N 472.164 5.107 50 10 JKGE Cc1cccc(C(=O)N(Cc2ccccc2)C2(CBr)CCC2)c1I 1915760644 QQQBQNCRIOHDDK-UHFFFAOYSA-N 498.202 5.560 50 10 JKGE CC(C)(CBr)N(Cc1ccccc1)c1ccccc1S(=O)(=O)C(F)(F)F 1915763249 ZCPLPUBSIMTFFJ-UHFFFAOYSA-N 450.320 5.160 50 10 JKGE CC(C)(CBr)N(Cc1ccccc1)C(=O)c1sccc1I 1915767659 YTGNNUNEMMVRDI-UHFFFAOYSA-N 478.193 5.169 50 10 JKGE FC(F)(F)c1ccc([C@H](Br)c2sc(Br)cc2Br)o1 1922881105 BCPJYFNWYABVOH-QMMMGPOBSA-N 468.914 6.369 50 10 JKGE Cc1c(Br)sc([C@@H](Br)c2ccc3c(c2)CCCC3)c1Br 1922935024 LYYPEMLBMCTYBA-AWEZNQCLSA-N 479.075 6.945 50 10 JKGE Brc1cc(Br)c([C@H](Br)[C@@H]2CCc3ccccc3C2)s1 1922953304 BQEQUBAFZUQNCQ-BXUZGUMPSA-N 465.048 6.514 50 10 JKGE CSc1ccccc1[C@@H](Br)c1c(Br)sc(Br)c1Cl 1923054385 DTXZUCKDEOUUCA-SECBINFHSA-N 491.495 7.133 50 10 JKGE C[C@@H]1C[C@H]([C@@H](Br)c2c(Br)sc(Br)c2Cl)CO1 1923067487 DDAGILIOOLJZLW-JCGDXUMPSA-N 453.421 5.788 50 10 JKGE Clc1c(Br)sc(Br)c1[C@H](Br)C[C@H]1CCCO1 1923067731 HPDZNPPCRDIVMR-PHDIDXHHSA-N 453.421 5.932 50 10 JKGE Clc1c(Br)sc(Br)c1[C@H](Br)[C@H]1CCCOCC1 1923068894 YFXAAKKCSQSXSS-POYBYMJQSA-N 467.448 6.179 50 10 JKGE Cc1sc(Br)cc1[C@@H](Cl)c1csc(Br)c1Br 1937735006 UDPQZRKZDWDBGM-SECBINFHSA-N 465.457 6.734 50 10 JKGE Fc1cccc([C@H](Cl)c2sc(Cl)cc2Br)c1I 1948825751 KLGWWBSDTFBZFX-VIFPVBQESA-N 465.940 6.236 50 10 JKGE Clc1sc(Cl)c([C@H](Br)c2cc(I)sn2)c1Cl 1983286269 ODZFOLLLTONSTI-RXMQYKEDSA-N 489.412 6.254 50 10 JKGE Cc1nn(C)c(Br)c1[C@@H](Cl)c1sc(Br)cc1Br 2013206674 ZRGJPOAMIOXXJO-MRVPVSSYSA-N 463.420 5.406 50 10 JKGE Cc1c([C@H](Br)c2sc(Cl)cc2Br)c(Br)nn1C 2014541184 HMPMDNCKOJXGFA-QMMMGPOBSA-N 463.420 5.453 50 10 JKGE FC1(F)C[C@]12CC[C@H]([C@@H](Br)c1cc(Br)sc1Br)C2 2038547450 ACISVHZQQFIMTI-PTHKFVFGSA-N 464.995 6.535 50 10 JKGE Cc1ccc(NC(SCC(=O)N(C)C2CCCCC2)=C(C#N)c2nc3ccccc3s2)c(C)c1 2040469374 PNMQYCPQNXQNLZ-UHFFFAOYSA-N 490.698 6.742 50 10 JKGE CCc1nc([C@@H](Br)Cc2ccc(Br)cc2)c(Br)s1 2050335145 PGUXPKRPDKJVDS-JTQLQIEISA-N 454.025 5.909 50 10 JKGE CC[C@@H](C)N(Cc1ccccc1)S(=O)(=O)c1cc(CBr)c(Cl)cc1Cl 2059289191 OOHZPVFTGXIJLF-CYBMUJFWSA-N 465.240 5.878 50 10 JKGE ClCc1ccc(OCc2ccc(Br)cc2Br)c(Br)c1 2092264955 FUKCYNURKNMLKT-UHFFFAOYSA-N 469.398 6.292 50 10 JKGE Clc1cc(Br)cc([C@@H](Br)c2cc(C3CC3)c(Br)s2)c1 2094672543 ACAILZYXQANYDW-CYBMUJFWSA-N 485.466 7.288 50 10 JKGE CCc1nsc(COc2c(Br)cc(CBr)cc2Br)n1 2102673393 YQFMDWVMWLYJTC-UHFFFAOYSA-N 471.012 5.099 50 10 JKGE CC(C)CO[C@H]1[C@@H](Oc2c(Br)cccc2Br)C[C@H]1Br 2109256369 CVVYLIUMRNHXSN-MBNYWOFBSA-N 457.000 5.167 50 10 JKGE C[C@H]1CN(Cc2ccccc2)C[C@@H]1n1c(CCl)nc2cc(Cl)c(Br)cc21 2112692380 FIBXYJZBZPSOMN-DJJJIMSYSA-N 453.211 5.884 50 10 JKGE O=C(c1csc(Br)c1Br)N1CC[C@H](Br)CC12CCC2 2113572761 RIEHPBRARMKHGV-QMMMGPOBSA-N 472.040 5.195 50 10 JKGE O=S(=O)(Cc1ccc(CBr)cc1)N(Cc1ccccc1)Cc1cccs1 2123201172 STFDUXSFISCVAV-UHFFFAOYSA-N 450.423 5.175 50 10 JKGE CC(C)(C)[C@@H]1[C@H](Br)CCN1Cc1c(Br)cccc1Br 2128674033 BVXWJYCOWCRCEK-KGLIPLIRSA-N 454.044 5.596 50 10 JKGE FC1(F)CC2(C1)C[C@@]2(CBr)Cc1ccc(Br)cc1Br 2132871025 CGGPTPUTQSPOQX-GFCCVEGCSA-N 458.966 5.955 50 10 JKGE COc1ccc(C(C)C)cc1[C@H](Br)c1sccc1I 2139061759 ZABQNDOWJHUBOB-AWEZNQCLSA-N 451.167 5.969 50 10 JKGE COC[C@]12C[C@]([C@H](Cl)c3c(Br)sc(Br)c3Cl)(CO1)C2 2141162122 CAGBRYWAPVZHGE-GGZOMVNGSA-N 451.007 5.402 50 10 JKGE Clc1ccc(Oc2ccc(Br)cc2CBr)c(Br)c1Cl 2141425802 JBQWSUCXCYPRGD-UHFFFAOYSA-N 489.816 7.206 50 10 JKGE COc1cccc(C[C@H](Br)c2ccc(Br)cc2I)c1 2142279656 SQNQRRLPASTIKP-AWEZNQCLSA-N 495.980 5.741 50 10 JKGE COc1ccc(Cl)cc1[C@H](Cl)c1ccc(Br)cc1I 2142287364 MNDYIFGSAOVFKC-CQSZACIVSA-N 471.947 6.044 50 10 JKGE CCC[C@@H]1CC[C@@H](Br)[C@H](Cc2ccc(I)c(Cl)c2)C1 2142953117 NABSIZLHVZEGGB-KWCYVHTRSA-N 455.605 6.467 50 10 JKGE CC(C)(C)C[C@@H](CCl)CNC(=O)c1ccc(I)c(Br)c1 2156339189 ZHHAOSNZQPZQKW-JTQLQIEISA-N 472.592 5.075 50 10 JKGE Fc1cc2c(cc1Br)nc(CCl)n2[C@@H]1CCCN(Cc2ccccc2)CC1 2160561901 XKXFAHARPWHOJT-MRXNPFEDSA-N 450.783 5.904 50 10 JKGE Clc1sc(Br)c(Cl)c1[C@@H](Br)Cc1ccc2c(c1)CCO2 2168660458 IKHLZQKGYLIWCB-VIFPVBQESA-N 457.014 6.431 50 10 JKGE Cc1ccc(Br)c(COc2c(C)cc(Br)cc2CBr)n1 2169028440 UAECMBBQVBMMHM-UHFFFAOYSA-N 463.995 5.697 50 10 JKGE Cc1cc(Br)c(CBr)c(N2C[C@@]3(C)CN(Cc4ccccc4)C[C@]3(C)C2)c1 2173453209 PNKNNWOWRLREHB-DHIUTWEWSA-N 492.299 6.001 50 10 JKGE CC(C)(C)OC(=O)N1CCC(CI)(OC[C@H]2C[C@H]2C2CCCCCC2)CC1 2200761014 QCXJGMCVBCYFGN-MOPGFXCFSA-N 491.454 5.814 50 10 JKGE Cc1c(Br)ccc([C@H](Br)[C@@H]2C[C@H]2c2ccccc2)c1Br 2203690245 ZVMOZIDWYOHKMI-VBQJREDUSA-N 459.019 6.760 50 10 JKGE COc1c(C)cc(Br)cc1[C@H](Br)c1ccc(Br)cc1F 2206564687 FEIOXULNFJSMOI-CQSZACIVSA-N 466.970 6.152 50 10 JKGE CC1(C)CO[C@@H]([C@H](Br)c2c(Br)cc(Cl)c(Cl)c2Cl)C1 2224303777 BNBCVYNHEAGQJE-SCZZXKLOSA-N 451.413 6.660 50 10 JKGE C[C@H](Cl)c1nc2cc(Br)c(Br)cc2n1[C@H](C)CN(C)Cc1ccccc1 2225684145 ATPIKYWAFSFZCU-KGLIPLIRSA-N 499.678 6.554 50 10 JKGE Cc1c(Br)ccc([C@@H](Br)C2(C)CC3(CCC3)C2)c1Br 2228275052 KQMDWBMMWQMRBT-CQSZACIVSA-N 451.040 6.926 50 10 JKGE CC1([C@H](Br)c2cc(Br)c(Br)cc2F)CC2(CCC2)C1 2228277855 ZTBYEDJIUFWDBL-CYBMUJFWSA-N 455.003 6.757 50 10 JKGE Cc1cc(Br)c([C@H](Br)c2ccc(F)cc2Br)c(C)c1Cl 2232530303 QMCUAQHARAOZMK-CQSZACIVSA-N 485.416 7.105 50 10 JKGE Fc1cc(Br)c(Br)cc1[C@@H](Cl)c1cc2c(s1)CCSC2 2233969281 ITOHQOYEXSFPPB-CQSZACIVSA-N 456.627 6.530 50 10 JKGE Cc1c(Br)ccc([C@H](Br)[C@H]2OCC[C@H]2C(F)(F)F)c1Br 2240512691 CLDWEVJYOUAOBL-ZHAHWJHGSA-N 480.944 5.923 50 10 JKGE CC(C)(CBr)N(Cc1ccccc1)C(=O)c1cccc(Cl)c1Br 2243512802 UDNCMGOXWXVJRI-UHFFFAOYSA-N 459.609 5.918 50 10 JKGE CC[C@H](Br)CN(Cc1ccccc1)c1nc2ccc(Br)cc2s1 2246329364 SKFNOVGPKFYONZ-AWEZNQCLSA-N 454.231 6.239 50 10 JKGE COc1ccc([C@H](Cl)c2ccc(Cl)c(I)c2)cc1Br 2268280925 WIHPQZNSKRJYJA-AWEZNQCLSA-N 471.947 6.044 50 10 JKGE Brc1cc(Br)cc(C[C@H](Br)[C@@H]2CC3CCC2CC3)c1 2277960386 HFMGGOJZQHWYDQ-LJAJZUIYSA-N 451.040 6.344 50 10 JKGE O=C(Nc1ccc(F)c(CBr)c1)c1ccc(Cl)c(I)c1 2283660159 LOWFEAIOMVVTDA-UHFFFAOYSA-N 468.491 5.231 50 10 JKGE N#CC(=Cc1ccc(-c2ccc(C(=O)O)c(Cl)c2)o1)C(=O)NCCc1c[nH]c2ccccc12 2294171864 FBBLWJNEVKMXDK-UHFFFAOYSA-N 459.889 5.045 50 10 JKGE N#CC(=CNc1ccc(I)cc1)c1nc(-c2ccc([N+](=O)[O-])cc2)cs1 2295891392 PJQOBVFYPANOGR-UHFFFAOYSA-N 474.283 5.299 50 10 JKGE CCc1ccc(Oc2nc3ccccn3c(=O)c2C=C(C#N)S(=O)(=O)c2ccc(Cl)cc2)cc1 2296543582 OEJLAMGCIOYMHE-UHFFFAOYSA-N 491.956 5.041 50 10 JKGE Cc1ccc(S(=O)(=O)C(C#N)=Cc2c(Oc3ccc(Cl)c(C)c3)nc3ccccn3c2=O)cc1 2296722587 YTCZRXLHPFSIAS-UHFFFAOYSA-N 491.956 5.095 50 10 JKGE Cc1ccc(C)c(NC(=O)C(C#N)=C2S[C@H](Cc3ccccc3)C(=O)N2c2ccccc2)c1 2297019503 VJQUMSOOOFPVTA-XMMPIXPASA-N 453.567 5.368 50 10 JKGE Cc1cc(C=C(C#N)C(=O)OC[C@@H]2CC2(Cl)Cl)c(C)n1-c1ccc(Br)cc1 2297393945 YVDPGYDREIOANH-INIZCTEOSA-N 468.178 5.501 50 10 JKGE N#CC(C(=O)Nc1ccc(F)cc1)=C1S[C@H](Cc2ccc(F)cc2)C(=O)N1c1ccc(F)cc1 2297467763 GKWQMWSGDGNGHH-JOCHJYFZSA-N 479.483 5.169 50 10 JKGE CC(C)(C)[C@@H]1C[C@H]1[C@@H](Br)c1ccc(OCc2ccccc2)cc1Br 2299495240 PRAIDXNQPRMVKM-GGPKGHCWSA-N 452.230 7.146 50 10 JKGE Brc1ccc(OCc2ccccc2)c([C@@H](Br)CCC2CCCC2)c1 2299534918 JHGRIDZYZQBEAN-FQEVSTJZSA-N 452.230 7.435 50 10 JKGE Cc1c(Cl)sc(Cl)c1[C@@H](Br)c1cc(Br)c(Br)s1 2299542679 LPEILOSEUWZNKH-ZETCQYMHSA-N 499.902 7.434 50 10 JKGE BrCc1ncccc1Oc1cc(Br)cc(I)c1 2301128740 XADHMANLJZYWCM-UHFFFAOYSA-N 468.914 5.136 50 10 JKGE ClC[C@H](Br)[C@@H](CCl)OCc1cc(I)ccc1Cl 2307206622 MHLCKNMUIAHQNH-GXSJLCMTSA-N 472.375 5.071 50 10 JKGE Cc1ccc(NC(=O)C(C#N)=Cc2cc(Br)c(Sc3ccc(Cl)cc3)o2)cc1C 2313564977 JXTWQSNLUGMAKI-UHFFFAOYSA-N 487.806 7.009 50 10 JKGE N#CC(=Cc1cc(Br)ccc1OCc1ccccc1)C(=O)Nc1cccc(Cl)c1 2313631963 ZVFTYJAUNDPDOP-UHFFFAOYSA-N 467.750 6.227 50 10 JKGE COc1ccccc1NC(=O)C(C#N)=C1S[C@@H](Cc2ccccc2C)C(=O)N1c1ccc(C)c(C)c1 2314592235 ONLLNKAEJNWHFL-SANMLTNESA-N 497.620 5.685 50 10 JKGE CCCOc1ccc(C=C(C#N)C(=O)Nc2nc(-c3ccc(Br)cc3)c(C)s2)cc1 2314792635 BWRNYGFUDGUEKK-UHFFFAOYSA-N 482.403 6.216 50 10 JKGE CC(C)COc1c(Cl)cc(C=NNC(=O)CSc2nc3ccccc3[nH]2)cc1Cl 2323081527 QUXCXRFBDLMCBO-UHFFFAOYSA-N 451.379 5.147 50 10 JKGE Fc1cc([C@H](Br)c2cc(Br)c(Cl)s2)c(Cl)cc1Cl 2326684450 BKBWHVFHZQPGAG-JTQLQIEISA-N 453.385 7.094 50 10 JKGE C[C@H](Oc1ccc(Cl)cc1)C(O)=C(C#N)c1nc(-c2ccc(-c3ccccc3)cc2)cs1 2331231995 YLOMJNWESYWHNK-KRWDZBQOSA-N 458.970 7.391 50 10 JKGE CC(C)C[C@@H](C(O)=C(C#N)c1nc(-c2ccc(C(C)(C)C)cc2)cs1)N1C(=O)c2ccccc2C1=O 2331331584 RETGZDQNFGKUDD-DEOSSOPVSA-N 499.636 6.611 50 10 JKGE COC(=O)c1ccccc1N1C[C@@H](C(O)=C(C#N)c2nc(-c3ccc(C(C)C)cc3)cs2)CC1=O 2331340469 GBTMKXFYOTWOGX-IBGZPJMESA-N 487.581 5.566 50 10 JKGE CCOc1ccc(-c2csc(C(C#N)=C(O)CCCOc3ccc(CC)cc3)n2)c(OCC)c1 2331389136 WFWRKHKKFOLKPF-UHFFFAOYSA-N 478.614 6.822 50 10 JKGE CCc1cccc(C)c1N1C[C@H](C(O)=C(C#N)c2nc(-c3cc(C)c(OC)cc3C)cs2)CC1=O 2331402779 PQVFHKGBRLMFEE-HXUWFJFHSA-N 487.625 6.152 50 10 JKGE COc1cc(C)c(-c2csc(C(C#N)=Cc3ccc(OCc4ccccc4)cc3)n2)cc1C(C)C 2331463444 IVLJSVRVRFVEIH-UHFFFAOYSA-N 480.633 7.894 50 10 JKGE COc1cc(C=C(C#N)c2nc(-c3ccc(Oc4ccccc4)cc3)cs2)cc(Cl)c1O 2331467334 DURGVIWFLMKNIS-UHFFFAOYSA-N 460.942 7.034 50 10 JKGE CC(C)CC1([C@@H](Br)c2ccc(OCc3ccccc3)cc2Br)CCCC1 2336051086 PAWQHMAWMJJWCA-QFIPXVFZSA-N 480.284 8.071 50 10 JKGE Brc1ccc(OCc2ccccc2)c([C@H](Br)C2CC3(CCCCC3)C2)c1 2336053906 NENDTZAIAASBCM-JOCHJYFZSA-N 478.268 7.825 50 10 JKGE COc1ccc(C[C@@H](Br)c2ccc(OCc3ccccc3)cc2Br)cc1 2336084446 UHEBLKBOZUQLIK-OAQYLSRUSA-N 476.208 6.715 50 10 JKGE C[C@H]1CCCN(Cc2ccc(Cl)cc2I)[C@@H]1CCBr 2341044264 SGLFSVUUBRVSSZ-XHDPSFHLSA-N 456.593 5.330 50 10 JKGE Clc1ccc(I)cc1C[C@]1(CBr)CCCC12CCC2 2352423280 FTDLKMQZGNIYMX-INIZCTEOSA-N 453.589 6.223 50 10 JKGE CCc1cc(Br)c(OC)c([C@@H](Br)c2occc2Br)c1 2353046190 PZZOVJCRQZFLQD-GFCCVEGCSA-N 452.968 5.860 50 10 JKGE COc1c([C@@H](Br)c2c(Br)ncn2C)cc(Br)c(C)c1C 2362477667 CZLVUFBIHMZXGI-LLVKDONJSA-N 466.999 5.055 50 10 JKGE COc1c(Br)cc(C)c([C@H](Br)[C@H]2C[C@@]23CCOC3)c1Br 2365190906 JKOAXJQNBPHJEV-DDHOLCJHSA-N 469.011 5.391 50 10 JKGE COc1c(Br)cc(C)c([C@H](Br)C[C@H]2CC[C@H]2OC)c1Br 2365193685 KCZPBWZHLVYAAP-CKYFFXLPSA-N 471.027 5.780 50 10 JKGE Clc1cc(Cl)cc(CC[C@@H](Cl)c2cc(Br)cc(Br)c2)c1 2366898335 VWNATHVMVWMFGS-OAHLLOKOSA-N 457.420 7.431 50 10 JKGE CCOC(=O)c1c(-c2ccc(CC)cc2)csc1NC(=O)/C(C#N)=C/c1ccc(OC)cc1 1974836 CGTNXHQLPIDDKE-XSFVSMFZSA-N 460.555 5.708 50 10 JKGE CCOc1ccc([C@@H]2C(C#N)=C3N=C(N)c4ccccc4N3C3=C2C(=O)C[C@H](c2ccccc2)C3)cc1 3654420 XDXBGKCLMNFUQW-LYZGTLIUSA-N 486.575 5.544 50 10 JKGE CC(C)(C)c1ccc(C(=O)Nc2ccc(C(=O)NNC(=O)Nc3ccc(Cl)cc3)cc2)cc1 12491998 IZFUZSQKWUFWAU-UHFFFAOYSA-N 464.953 5.356 50 10 JKGE CCSc1sccc1[C@@H]1C(C#N)=C(N)N(c2ccc(Cl)c([N+](=O)[O-])c2)C2=C1C(=O)CCC2 27550443 XAPLFXBNLYSTRX-LJQANCHMSA-N 487.006 5.726 50 10 JKGE N#C/C(=C/c1cn(Cc2ccc(Cl)cc2)c2ccccc12)c1nn(-c2ccccc2)c(N)c1C#N 33247232 FFZNXQBESJLVLS-ZHZULCJRSA-N 474.955 6.047 50 10 JKGE N#C/C(=C/C=C\c1ccc([N+](=O)[O-])cc1)c1nc(-c2cc3cc([N+](=O)[O-])ccc3oc2=O)cs1 33398774 IKVUARUJULETEO-PPUAEEJLSA-N 472.438 5.353 50 10 JKGE Cc1cc(C)cc(Oc2nc3c(C)cccn3c(=O)c2/C=C(/C#N)c2nc3ccccc3n2C)c1 33584207 XLGVDKQMISWTHP-HKWRFOASSA-N 461.525 5.363 50 10 JKGE CCCC/C(=N/NC(=O)COc1ccc(Br)cc1Br)c1ccccc1 34107470 HLWBVRHSKXSGLZ-XLNRJJMWSA-N 468.189 5.301 50 10 JKGE C[C@@H](Oc1ccc(F)cc1)C(=O)Oc1ccc2c(c1)OC(N)=C(C#N)[C@H]2c1ccccc1Cl 38651048 FBFUMHZMCIFZDF-FATZIPQQSA-N 464.880 5.070 50 10 JKGE COc1cccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4cccc5ccccc45)ccc32)c1OC 38658912 JOAVGCJMKHMWML-AREMUKBSSA-N 478.504 5.294 50 10 JKGE COc1ccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4oc5ccccc5c4C)ccc32)c(OC)c1 38688449 JAEYDIFNUHWCNC-RUZDIDTESA-N 482.492 5.196 50 10 JKGE N#CC1=C(N)Oc2cc(OC(=O)c3sc4cc(Cl)ccc4c3Cl)ccc2[C@@H]1c1ccco1 38688476 OAGIMQTWQSPYSS-IBGZPJMESA-N 483.332 6.238 50 10 JKGE Cc1ccc(C)c(NC(=O)/C(C#N)=C\c2c(Oc3ccc(Cl)cc3)nc3c(C)cccn3c2=O)c1 39858603 VXXHFDRBNGBGHI-RGEXLXHISA-N 484.943 5.611 50 10 JKGE Cc1ccc(NC(=O)/C(C#N)=C/c2ccc(-c3cc(C(F)(F)F)ccc3Cl)o2)c([N+](=O)[O-])c1 39884730 WLOWDYLPKCCUGX-UKTHLTGXSA-N 475.810 6.381 50 10 JKGE CCOC(=O)/C(C#N)=C/c1ccc(OC(=O)/C=C/c2ccc(OCc3ccccc3)cc2)c(OC)c1 40864600 ANKYRHYQXVMIKO-CALPNNBKSA-N 483.520 5.363 50 10 JKGE CCOc1c(Br)cc(/C=C(\C#N)C(=O)Nc2ccc(Cl)c(Cl)c2)cc1OC 59117530 CUYKMSLBAUCWIW-WUXMJOGZSA-N 470.150 5.709 50 10 JKGE Cc1ccc(S(=O)(=O)Oc2ccc(/C=N/NC(=O)[C@@H](C)c3ccc(CC(C)C)cc3)cc2)cc1 59160269 ZTUOMNANCXOIKG-PWIYWSIBSA-N 478.614 5.215 50 10 JKGE COc1cc(/C=N/NC(=O)c2cc3ccccc3o2)cc(Cl)c1OCc1ccccc1F 59304631 ZQXKMCHNAMIZHB-UVHMKAGCSA-N 452.869 5.577 50 10 JKGE Cc1ccccc1CS/C(Nc1cccc(Cl)c1)=C(/C#N)S(=O)(=O)c1ccccc1 96482170 KNKDSYYVGQTLOT-FCQUAONHSA-N 455.004 6.160 50 10 JKGE Cc1ccc(N/C=C(\C#N)c2nc(-c3cc4cc(Br)ccc4oc3=O)cs2)cc1C 100102421 FUMCADMZJQBPSN-LFIBNONCSA-N 478.371 6.272 50 10 JKGE CCc1cccc(C)c1N/C(SCc1ccccc1F)=C(\C#N)S(=O)(=O)c1ccccc1 104689335 ZUUPGLGZAXJBAQ-BZZOAKBMSA-N 466.603 6.208 50 10 JKGE ClCCc1nc2ccc(Br)cc2n1-c1ccc(Br)cc1Br 115770703 JXEILYWBROFILA-UHFFFAOYSA-N 493.424 6.094 50 10 JKGE CCc1ccc(CC(CBr)(CBr)c2ccccc2Br)s1 118878997 IOHNTVANVFCDJB-UHFFFAOYSA-N 481.091 6.343 50 10 JKGE COc1c(C)cc(Br)c(C)c1[C@@H](Br)c1cc(C)ccc1Br 125738947 JXBAAAOSMMFUEB-INIZCTEOSA-N 477.034 6.630 50 10 JKGE COc1ccc([C@@H](Cl)c2cc(Br)c(C)cc2Br)cc1Br 128619578 GZAYMIHAHMVLDV-OAHLLOKOSA-N 483.425 6.619 50 10 JKGE C[C@@H](O[Si](C)(C)C)[C@H]1CC[C@H]2[C@@H]3CC=C4C[C@@H](O[Si](C)(C)C)CC[C@]4(C)[C@H]3CC[C@@]21C 195753271 PXQKWIROLXRMAD-DPAQBDIFSA-N 462.867 8.026 50 10 JKGE Cc1cccc(N2CCN(/C=C(/C#N)C(=O)NC3CCCCCCCCCCC3)CC2)c1C 217260087 VMBMQLMJQRMNJP-LVWGJNHUSA-N 450.671 5.622 50 10 JKGE Clc1cc([C@@H](Br)c2cc3c(cc2Br)OCCO3)c(Cl)s1 236074825 XOCQMYWZDDDKOS-LBPRGKRZSA-N 458.986 6.073 50 10 JKGE COc1ccc([C@H](C)CC(=O)NN=Cc2ccc(-c3ccc(Br)cc3)o2)c(O)c1 252617528 KUWLWGVTCWIFHN-CQSZACIVSA-N 457.324 5.067 50 10 JKGE CCN(CC)c1ccc(/C=C(\NC(=O)c2ccccc2)C(=O)NN=C(C)/C=C/c2ccccc2)cc1 254445198 WRMYWRFCBHNNIB-KNNKGVQPSA-N 480.612 5.509 50 10 JKGE Cc1cccc([C@@H](Cl)c2cc(Br)ccc2Br)c1Br 300465954 FHKYAKFBMZSZPK-CQSZACIVSA-N 453.399 6.611 50 10 JKGE O=C(OCc1ccccc1)N1C[C@H](CI)[C@H](c2c(Cl)cccc2Cl)C1 382691224 IKPFPXBMKGYAEE-LSDHHAIUSA-N 490.168 5.781 50 10 JKGE CC(=O)O[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)C1=O 498049382 RCRNHNQUADUPMA-WETMPITRSA-N 460.731 6.450 50 10 JKGE CC(C)(C)OC(=O)NCCN1CCCOC[C@@H]1c1ccc(CCO[Si](C)(C)C(C)(C)C)cc1 616598362 XLIOUQVKSXBAHQ-HSZRJFAPSA-N 478.750 5.539 50 10 JKGE CC(C)(C)OC(=O)NCCN1CCC[C@H](c2ccccc2CCO[Si](C)(C)C(C)(C)C)CC1 616627210 GQVXSKYBMQVHIQ-QFIPXVFZSA-N 476.778 6.345 50 10 JKGE COc1c(C)cc(Br)c(C)c1[C@H](Br)c1ncsc1Br 698653635 MUWDLFRGJRFLMQ-JTQLQIEISA-N 470.024 5.778 50 10 JKGE CC1(C)CC[C@H](COc2c(Br)cc(Br)cc2CBr)OC1 713594657 UQCHXRCBLHXBCQ-GFCCVEGCSA-N 471.027 5.691 50 10 JKGE Cc1cc(Br)c([C@H](Br)C[C@@H]2CC(C)(C)CO2)cc1Br 717120677 GBTVHNMUCXKQGR-QMTHXVAHSA-N 455.028 6.161 50 10 JKGE CCCCCOc1ccc([C@H]2CN(Cc3ccccc3)C[C@@H]2CI)cc1 725425518 PFTUKDRVOIXRGK-JTHBVZDNSA-N 463.403 5.906 50 10 JKGE O=C(NN=C/C(Cl)=C\c1ccccc1)c1ccc(NN=C/C(Cl)=C\c2ccccc2)cc1 886000320 CFEUJCDNAHZPSL-SWQMTZJQSA-N 463.368 6.360 50 10 JKGE CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(CC)cc2)ccc1OCc1ccc(Cl)cc1 1084107920 GEXACFQZKQGAHV-PXLXIMEGSA-N 460.961 6.426 50 10 JKGE O=C(O)c1ccc(Cl)c(-c2ccc(C=NNC(=O)c3cc4cc(Br)ccc4o3)o2)c1 1084179701 QDESSOWYHBDHFO-UHFFFAOYSA-N 487.693 5.571 50 10 JKGE N#C/C(=C/c1cn(Cc2ccccc2Cl)c2ccc(Br)cc12)C(=O)NC[C@H]1CCCO1 1084194010 NZRQLNJBJWPXPJ-PLMLNFJUSA-N 498.808 5.308 50 10 JKGE CC(C)(C)OC(=O)N1C[C@H](CBr)[C@H](c2cc(C(F)(F)F)cc(C(F)(F)F)c2)C1 1614612793 CAHQDACVRMPZQQ-FZMZJTMJSA-N 476.255 6.070 50 10 JKGE CC(C)(C)c1ccc(OCCCC(=O)NN=Cc2cccc3ccccc23)c(Br)c1 1772755393 DZPUZMSHCRCUFO-UHFFFAOYSA-N 467.407 6.209 50 10 JKGE CC(C)(C)c1ccc([C@@H]2C(C#N)=C(N)Oc3c2c(-c2ccccc2)nn3-c2cccc(Cl)c2)cc1 1865682129 GTIYBRUPUCSKIO-XMMPIXPASA-N 480.999 6.708 50 10 JKGE COc1ccc(-c2nn(Cc3cccc(F)c3)c3c2[C@@H](c2ccc(Cl)cc2)C(C#N)=C(N)O3)cc1 1865683757 OUCGXSUTMJKRJC-QHCPKHFHSA-N 486.934 5.618 50 10 JKGE CCCc1nn(CC)c2c1[C@H](c1ccc(OCCCc3ccccc3)c(OC)c1)C(C#N)=C(N)O2 1865697444 SOHQUONELWEDGE-RUZDIDTESA-N 472.589 5.094 50 10 JKGE COc1ccc(-c2nn(CC(C)C)c3c2[C@H](c2cc(Br)ccc2F)C(C#N)=C(N)O3)cc1 1865702149 NZVWZOYETPGCSP-HXUWFJFHSA-N 497.368 5.334 50 10 JKGE COc1ccc(-n2nc(C)c3c2OC(N)=C(C#N)[C@@H]3c2ccc(OCc3ccccc3C)cc2)cc1 1865703487 WPNWKJZFKZUICI-MHZLTWQESA-N 478.552 5.295 50 10 JKGE Cc1ccc(C)c(Cn2nc(C)c3c2OC(N)=C(C#N)[C@@H]3c2ccc(OC(=O)c3ccccc3)cc2)c1 1865705233 PBTZOQSNWSSEGA-MHZLTWQESA-N 490.563 5.294 50 10 JKGE CCCc1nn(-c2ccc(Cl)c(Cl)c2)c2c1[C@H](c1ccc(C(=O)O)cc1)C(C#N)=C(N)O2 1865709505 WPTRRCGTOJPHDQ-LJQANCHMSA-N 469.328 5.048 50 10 JKGE COCCc1nc(Nc2ccc(SC#N)cc2)cc(N2C[C@@H](c3ccccc3)Cc3ccccc32)n1 1868253877 WWLHCVOYOFGEPE-QHCPKHFHSA-N 493.636 6.460 50 10 JKGE CCCc1nc(Nc2ccc(SC#N)cc2)cc(N2CCC[C@H]2c2nc3ccccc3s2)n1 1868389452 VFBRRWNLZROYFF-FQEVSTJZSA-N 472.643 6.697 50 10 JKGE COc1ccc(-c2csc(/C(C#N)=C(\O)c3ccccc3C(=O)c3ccccc3)n2)cc1OC 1872745105 BLXIJPPLUAISPL-QLYXXIJNSA-N 468.534 6.008 50 10 JKGE CCCCc1ccc(-c2csc(/C(C#N)=C(O)/C=C/c3ccc(OCc4ccccc4)cc3)n2)cc1 1872745155 XJZOGYAZHIJLJD-BDMSXITQSA-N 492.644 8.238 50 10 JKGE CC[C@@H](C)[C@@H](/C(O)=C(\C#N)c1nc(-c2ccc(C(C)C)cc2)cs1)N1C(=O)c2ccccc2C1=O 1872751918 HKXUIWHATIJYPK-MHIBAPTDSA-N 485.609 6.437 50 10 JKGE COc1cc(C)c(-c2csc(/C(C#N)=C(O)/C=C\c3ccc(Cl)cc3)n2)cc1C(C)C 1872753832 OZCXIZOWRDHHRW-SUKKYWSDSA-N 450.991 7.410 50 10 JKGE COc1cc(-c2csc(/C(C#N)=C(O)/C=C/c3ccccc3Cl)n2)c(OC)cc1Cl 1872755135 ZTQHYNIKVPYBPL-RIRNTOMFSA-N 459.354 6.640 50 10 JKGE COc1cc(/C=C(\C#N)c2nc(-c3cc(C)ccc3OC)cs2)ccc1OCCCc1ccccc1 1872790851 IEFLYMGTDQWUPF-JJIBRWJFSA-N 496.632 7.212 50 10 JKGE N#C/C(=C\c1ccccc1OCc1ccccc1Cl)c1nc(-c2cccc3ccccc23)cs1 1872792095 DSVGXFXNRWHKFX-XQNSMLJCSA-N 479.004 8.260 50 10 JKGE Cc1cc(OC/C(O)=C(\C#N)c2nc(-c3ccc(-c4ccccc4)cc3)cs2)cc(C)c1Cl 1873941006 RNXDNVZYGKTDLM-BZZOAKBMSA-N 472.997 7.619 50 10 JKGE Brc1cc(Br)c([C@H](Br)[C@H]2C[C@@H](Br)C2)s1 1893088144 JKBOPYRPMURWFZ-GLDDHUGJSA-N 467.846 5.883 50 10 JKGE CN(C[C@H](Br)COCc1ccccc1)C(=O)c1cccc(OCc2ccccc2)c1 1916354627 KALFMTQYFHUJEU-QHCPKHFHSA-N 468.391 5.318 50 10 JKGE O=C(NC[C@H]1CC[C@H](CBr)CC1)c1c(Br)cccc1Br 1922698818 MTDFMCTWBJKDBT-XYPYZODXSA-N 468.027 5.143 50 10 JKGE Cc1c(Br)sc([C@H](Br)[C@H]2CCCC2(F)F)c1Br 1922939650 ISCBLVHJBZWFEY-HTRCEHHLSA-N 452.984 6.453 50 10 JKGE Fc1cc(Br)cc([C@@H](Cl)c2sc(Br)cc2Br)c1 1922943997 XERLXMGPYSRRAJ-SNVBAGLBSA-N 463.391 6.503 50 10 JKGE CCCOc1cccc([C@H](Br)c2sc(Br)cc2Br)c1 1922955342 YMMLOZOBSLUFMO-ZDUSSCGKSA-N 469.036 6.546 50 10 JKGE Cl[C@H](c1c(Br)sc(Br)c1Br)[C@H]1CCc2ccccc2C1 1924599015 ALLYBEOEOWZZGM-GWCFXTLKSA-N 499.493 7.121 50 10 JKGE C[C@@H]1COc2ccc([C@H](Br)c3csc(Br)c3Br)cc21 1925682984 AWTXFWAJPBEAMW-KRTXAFLBSA-N 467.020 6.253 50 10 JKGE CC(C)(CC(F)(F)F)[C@@H](Br)c1cc(Br)sc1Br 1941573387 NJXVPEXTGRWQPQ-ZETCQYMHSA-N 458.963 6.688 50 10 JKGE FC(F)CC1([C@@H](Br)c2cc(Br)sc2Br)CCC1 1946574912 SGLRPAJBRSGVSU-VIFPVBQESA-N 452.984 6.535 50 10 JKGE Cc1c(Br)cccc1[C@H](Br)c1sc(Cl)cc1Br 1948827844 FAJUXGZNPATZMJ-NSHDSACASA-N 459.428 6.719 50 10 JKGE Fc1cc(Br)c(Cl)cc1[C@H](Br)c1cc(Br)cs1 2004903150 VAUWLTSILNUDPO-NSHDSACASA-N 463.391 6.550 50 10 JKGE CCn1ncc(Br)c1[C@H](Br)c1sc(C)c(Br)c1C 2033245784 DQNUGSGGOPCBKP-JTQLQIEISA-N 457.029 5.591 50 10 JKGE N#CC1=C(N)OC2=C(COCC2=Cc2ccccc2C(F)(F)F)[C@H]1c1ccccc1C(F)(F)F 2040592048 VHXTZPWSCWJXBK-FQEVSTJZSA-N 478.392 5.900 50 10 JKGE CCCC(CBr)(CCC)CN1C[C@@H](C)N(C(=O)OCc2ccccc2)[C@H](C)C1 2044698507 CESSZHISWDVXGC-WOJBJXKFSA-N 453.465 5.699 50 10 JKGE Cl[C@@H](c1c(Br)sc(Br)c1Br)C12CCCC1CCC2 2063822067 NWDBPJGRWZUQNT-JRIBOLAGSA-N 477.487 7.286 50 10 JKGE Cc1cc(Br)c(C(=O)NCC2CC(Br)C2)cc1NC(=O)OC(C)(C)C 2076195629 ZCKDWPRZHUPEJD-UHFFFAOYSA-N 476.209 5.008 50 10 JKGE Cc1cc(Br)ccc1S(=O)(=O)N(Cc1ccccc1)[C@@H](CBr)C1CC1 2085729912 FUWUYAIBKZJMRE-SFHVURJKSA-N 487.257 5.122 50 10 JKGE C[C@H](Br)CC(C)(C)CNC(=O)c1cccc(Br)c1Br 2092327862 GIEAXAYJWQFGCV-VIFPVBQESA-N 456.016 5.141 50 10 JKGE C[C@H]1CCC[C@@](CBr)(Cc2cccc(Br)c2Br)CC1 2100844254 GIVXCRWRUPSKEZ-LRDDRELGSA-N 453.056 6.736 50 10 JKGE C[C@]1(C(F)(F)F)C[C@@]1(CBr)Cc1cccc(Br)c1Br 2105508666 AUCAFYJKGXJRPA-NWDGAFQWSA-N 464.945 6.108 50 10 JKGE Cc1c(Br)sc([C@H](Br)c2cccc(C(F)F)c2)c1Br 2115949462 UPWXGYDAYVNJHA-SNVBAGLBSA-N 474.990 7.003 50 10 JKGE CC1([C@@H](Br)c2cc(Br)ccc2Br)CCCCCCC1 2116008958 NSBNDSHPQSDOMZ-HNNXBMFYSA-N 453.056 7.398 50 10 JKGE Clc1sc(Br)c(Cl)c1[C@@H](Br)c1ccc2nsnc2c1 2120650805 KFZSNQCPXSUYAV-QMMMGPOBSA-N 459.015 6.306 50 10 JKGE Brc1cc([C@H](Br)[C@H]2C[C@@H]2C2CCCCCC2)sc1Br 2135279533 NBTHTDSGLUNMKG-UHIISALHSA-N 471.096 7.316 50 10 JKGE Cc1cc(Br)c(C)c([C@H](Br)[C@H]2CCCC[C@@H]2C)c1Br 2136372382 YCUPRAVYLKDKLI-RVIYUIFMSA-N 453.056 7.091 50 10 JKGE Cc1sc(Br)cc1[C@H](Br)c1c(Br)cc(F)c(Cl)c1F 2136961781 PBINBNZAFAEFMP-JTQLQIEISA-N 495.408 6.997 50 10 JKGE COc1cc(Cl)c([C@@H](Br)c2cccc(Br)c2)cc1Br 2137640061 MLAARCAVAUAQQC-AWEZNQCLSA-N 469.398 6.358 50 10 JKGE Cc1c(Br)ccc([C@H](Br)[C@@]23CC[C@@H](C2)[C@@H](C)O3)c1Br 2138847858 BAJSJOHLLVNSDF-KTJYFRGRSA-N 453.012 5.914 50 10 JKGE Cc1cc(F)c([C@@H](Cl)c2ccc(Br)cc2I)cc1F 2142287124 KXQHPOXFFCNXAC-AWEZNQCLSA-N 457.483 5.969 50 10 JKGE ClCCc1nc2cc(Br)c(Cl)cc2n1C[C@@H]1CCN(Cc2ccccc2)C1 2159873645 IYLZGMYQAQINPO-MRXNPFEDSA-N 467.238 5.756 50 10 JKGE CCC1CCC(CI)(OCc2cc(Cl)ccc2Br)CC1 2200752679 NTSXCXQHEXKZPN-UHFFFAOYSA-N 471.604 6.393 50 10 JKGE CCn1ncc(Br)c1[C@@H](Br)c1cc(Br)c(OC)cc1Cl 2202364942 NRLBFBMZNCBVOB-LBPRGKRZSA-N 487.417 5.574 50 10 JKGE Cc1ncnc(COc2c(Br)cc(Br)cc2CBr)c1C 2206514525 JAPPNTYQRFVBKI-UHFFFAOYSA-N 464.983 5.092 50 10 JKGE Cc1cc([C@H](Br)c2cc(F)c(F)c(F)c2F)ccc1I 2207104523 RNVRVPBGFZTMMO-NSHDSACASA-N 459.018 5.640 50 10 JKGE COc1cc(F)c(Cl)cc1[C@@H](Br)Cc1ccccc1I 2207359381 GULQFUITNGBWCO-NSHDSACASA-N 469.519 5.771 50 10 JKGE C[C@@H]1CCC[C@H]([C@@H](Cl)c2c(Br)sc(Br)c2Br)O1 2214323473 GEDTXJLKJULKKS-HCVRKRLWSA-N 467.448 6.273 50 10 JKGE Cc1sc(Br)c(C)c1[C@@H](Cl)Cc1ccccc1I 2218793560 GZYXXLXKHQYKMA-NSHDSACASA-N 455.586 6.255 50 10 JKGE Clc1cc(Br)ccc1C[C@@H](Br)c1ccccc1OCc1ccccc1 2221700683 VMCWWEIOPNYYLO-LJQANCHMSA-N 480.627 7.360 50 10 JKGE CCCCCCCCCCCO[C@@](C)(CI)CNC(=O)OC(C)(C)C 2223235506 UGPVNVDTHGQWFB-FQEVSTJZSA-N 469.448 6.252 50 10 JKGE Cc1ccc([C@H](C)[C@H](Br)c2sc(Br)cc2Br)cc1 2223963536 JNUWJNDERVXXCV-ZANVPECISA-N 453.037 6.821 50 10 JKGE Cn1cc(Cl)c([C@H](Br)c2c(Br)cc(Cl)c(Cl)c2Cl)n1 2224325377 XURZYTCJVVINIH-MRVPVSSYSA-N 467.803 6.281 50 10 JKGE Cc1sc([C@H](Br)c2ccc(F)c(Br)c2F)c(C)c1Br 2226075772 HVFGRIAYJJIAMQ-SNVBAGLBSA-N 474.990 6.652 50 10 JKGE Cc1cc(Br)c([C@H](Br)C23COC(C)(C2)C3)c(C)c1Br 2227350185 VWPKFMZFIHBLDM-NFOMZHRRSA-N 453.012 5.834 50 10 JKGE Cc1cccc(Br)c1[C@H](Br)Cc1ccc(Br)cc1Cl 2229150962 LJEIRXPZJBXRRM-CYBMUJFWSA-N 467.426 6.852 50 10 JKGE COc1cc(Cl)c([C@H](Br)c2sc(C)cc2Br)cc1Br 2229299870 DJKHHTCTTYMJJD-LBPRGKRZSA-N 489.454 6.728 50 10 JKGE CCc1sc(Br)cc1[C@H](Br)c1ccc(OC)cc1Br 2232082008 PBERDPILWOSBLN-CQSZACIVSA-N 469.036 6.328 50 10 JKGE Fc1cc(Br)c(Br)cc1[C@H](Br)c1cc2c(s1)CCCC2 2233974029 CPTXCCFKJJPORM-HNNXBMFYSA-N 483.038 6.775 50 10 JKGE Fc1cc(Br)c(Br)cc1[C@H](Br)[C@H]1Cc2ccccc2O1 2233978174 YVGUQFISIHURGR-CABCVRRESA-N 464.954 5.790 50 10 JKGE CC(C)CCC[C@H](C)CCO[C@H]1CN(C(=O)OC(C)(C)C)C[C@H]1I 2248820064 AQZLJZCZPWVOQZ-BBWFWOEESA-N 453.405 5.278 50 10 JKGE Clc1cc(Br)c([C@@H](Br)c2cc(Br)co2)c(Cl)c1Cl 2258149516 WOALODOAHYCQGT-VIFPVBQESA-N 498.223 7.249 50 10 JKGE CN(Cc1cccc(I)c1)c1ccc(Cl)cc1CBr 2265548073 UCJQOPUDPLUOCK-UHFFFAOYSA-N 450.545 5.476 50 10 JKGE Cc1sc(Br)c([C@@H](Br)c2cc(F)c(Br)cc2Cl)c1C 2267747909 BSGSFEKPSYONEE-LBPRGKRZSA-N 491.445 7.167 50 10 JKGE CC(C)CCC[C@@H](C)CCO[C@@]1(CI)CCCN(C(=O)OC(C)(C)C)C1 2269404589 DYYPNJYIHVILJT-WIYYLYMNSA-N 481.459 6.060 50 10 JKGE Fc1cc(Br)c(F)c(Br)c1[C@H](Br)[C@@H]1CCC(F)(F)C1 2277733318 DDARHYYPWOLMAF-MLUIRONXSA-N 468.908 6.361 50 10 JKGE COc1cc(OC)c([C@H](Br)c2nscc2Br)cc1Br 2278035991 YZQYMOZQUZASCJ-NSHDSACASA-N 471.996 5.170 50 10 JKGE COc1ccc([C@H](Br)c2ccc(Br)cc2F)c(Br)c1Cl 2283563953 PVRHCFDTSRKDDI-GFCCVEGCSA-N 487.388 6.497 50 10 JKGE COc1ccc(Cl)cc1[C@@H](Br)Cc1cc(Br)cc(Br)c1 2295273874 CXDWZIRJWMFVFO-AWEZNQCLSA-N 483.425 6.552 50 10 JKGE Cc1ccc(Cc2cnc(NC(=O)C(C#N)=Cc3ccc(-c4cccc(C(F)(F)F)c4)o3)s2)cc1 2296832266 GZSWNTCPWMQOJL-UHFFFAOYSA-N 493.510 6.867 50 10 JKGE COc1c(Br)cc(C)c([C@H](Br)[C@@H]2C[C@@H]2Br)c1Br 2301502709 OQHBYSCRJBAUDO-MATHAZKKSA-N 491.843 5.748 50 10 JKGE N#CC(=Cc1cccc(OCc2ccc(F)cc2)c1)C(=O)Nc1sc2c(c1C#N)CCCC2 2313630759 RMWFZQQNLBCLEO-UHFFFAOYSA-N 457.530 5.762 50 10 JKGE CCc1ccc(NC(=O)C(C#N)=Cc2ccccc2OCc2ccc(Br)cc2)cc1 2313671129 HRAIIROMXMUDFH-UHFFFAOYSA-N 461.359 6.136 50 10 JKGE Cc1ccc(-c2nc(C(C#N)=CC3=Cc4ccccc4O[C@@H]3C)sc2NC(=O)c2ccccc2)cc1 2314433106 JNBYWNXBQJBWQK-HXUWFJFHSA-N 489.600 7.142 50 10 JKGE CC1(C)CCC[C@@H]([C@H](Br)c2cc(Br)ccc2OCc2ccccc2)C1 2314440230 NRINWCPBCJEXQH-UTKZUKDTSA-N 466.257 7.681 50 10 JKGE Cc1cc(F)ccc1[C@H](Br)c1cc(Br)ccc1OCc1ccccc1 2314449718 SCYJMBPNZHPDAC-NRFANRHFSA-N 464.172 6.960 50 10 JKGE N#CC(=Cc1cn(-c2ccccc2)nc1-c1ccc(Cl)cc1)c1nc(-c2ccco2)cs1 2314519412 NGIMGCUNGGTMPQ-UHFFFAOYSA-N 454.942 6.973 50 10 JKGE Cc1ccc(NC(=O)C(C#N)=Cc2c(Oc3ccc(Cl)c(C)c3)nc3ccccn3c2=O)cc1C 2314531831 FGRSLAPAMRPACO-UHFFFAOYSA-N 484.943 5.611 50 10 JKGE N#CC(=Cc1ccc(-c2cccc(C(F)(F)F)c2)o1)C(=O)Nc1cccc(Cl)c1Cl 2314571500 GAIJXQWHMBZWQF-UHFFFAOYSA-N 451.231 6.818 50 10 JKGE CC1=C(C#N)C(=O)N(Cc2ccc(C)cc2)C(=O)C1=Cc1ccc(-c2ccc(Cl)cc2Cl)o1 2314616961 NZCBGSTVCGLRED-UHFFFAOYSA-N 477.347 6.354 50 10 JKGE COc1c(Br)cc(C)c([C@@H](Br)C2CC(Cl)C2)c1Br 2317394438 WDKUUPFYXXWOFL-AYVLWNQUSA-N 461.419 5.982 50 10 JKGE CCOc1cc(C=C(C#N)c2nc(O)c3ccccc3n2)ccc1OCc1ccc(Cl)cc1Cl 2331030120 VEDIHUFPLMFMJW-UHFFFAOYSA-N 492.362 6.684 50 10 JKGE CCCCc1ccc(-c2csc(C(C#N)=C(O)c3ccc(N4CCCC4)c([N+](=O)[O-])c3)n2)cc1 2331256579 BSAAUOSHBUFURN-UHFFFAOYSA-N 474.586 6.611 50 10 JKGE COc1ccc(-c2csc(C(C#N)=C(O)CCCOc3ccc(Cl)cc3Cl)n2)cc1C 2331259848 KEQPVPURPKSIFT-UHFFFAOYSA-N 475.397 7.086 50 10 JKGE N#CC(=C(O)Cc1ccc(OCc2ccccc2)cc1)c1nc(-c2ccc(Cl)cc2)cs1 2331295554 BIMWDYWRDJNUQG-UHFFFAOYSA-N 458.970 7.078 50 10 JKGE COc1c(C)cc(C)cc1-c1csc(C(C#N)=C(O)c2cc(C(F)(F)F)cc(C(F)(F)F)c2)n1 2331373193 KNCQTFPUBIODND-UHFFFAOYSA-N 498.448 7.423 50 10 JKGE COc1c(C)cc(C)cc1-c1csc(C(C#N)=C(O)[C@H](C)Oc2ccc(Cl)cc2Cl)n1 2331376245 OVQNFKHOVDRGIF-AWEZNQCLSA-N 475.397 7.003 50 10 JKGE COc1cc(Cl)c(C)cc1-c1csc(C(C#N)=C(O)c2cc([N+](=O)[O-])ccc2Cl)n1 2331391999 CVVONWHLDUQIOL-UHFFFAOYSA-N 462.314 6.292 50 10 JKGE CCCOc1ccc(C=C(C#N)c2nc(-c3ccc(Cl)cc3Cl)cs2)cc1OCC 2331421719 LITBBKNFERKNIZ-UHFFFAOYSA-N 459.398 7.369 50 10 JKGE COc1cc(C=C(C#N)c2nc(-c3ccc(C(C)C)cc3)cs2)ccc1OCc1ccccc1 2331456641 OISDZWGZLRGZHS-UHFFFAOYSA-N 466.606 7.585 50 10 JKGE N#CC(=Cc1ccccc1OCc1ccc(Cl)cc1)c1nc(-c2cccc3ccccc23)cs1 2331456790 GXPBOZWCLGVUMS-UHFFFAOYSA-N 479.004 8.260 50 10 JKGE C[C@@]1([C@H](Br)c2ccc(OCc3ccccc3)cc2Br)CCCC(F)(F)C1 2336047967 QBPYLYYVRUONQQ-WOJBJXKFSA-N 488.210 7.680 50 10 JKGE Cc1cc([C@H](Cl)c2cc(Br)ccc2OCc2ccccc2)cc(C)c1Br 2336080027 IIMMVQWUNNAILL-QFIPXVFZSA-N 494.654 7.736 50 10 JKGE Fc1cc(Cl)c([C@H](Br)c2ccc(Cl)cc2I)cc1F 2340062933 FTTFSJDLSOQTRO-CYBMUJFWSA-N 477.901 6.361 50 10 JKGE Clc1ccc(I)cc1CO[C@@H]1C[C@@H](Br)C12CCCC2 2352248759 UGIHFEWSDODKER-ZIAGYGMSSA-N 455.561 5.557 50 10 JKGE Fc1cc(Br)ccc1[C@@H](Cl)c1c(F)cc(Cl)c(Br)c1Cl 2360429019 LFUFKCWDKGTVEB-GFCCVEGCSA-N 465.346 7.125 50 10 JKGE Cc1cc(Br)c(F)c(Br)c1[C@@H](Br)C[C@H]1CCCC12CC2 2365197276 UQXJVJMKFHWMAA-MNOVXSKESA-N 469.030 7.066 50 10 JKGE C[C@H](Br)CN(CC(C)(C)C)C(=O)c1ccc(Cl)cc1I 2365589911 AOBSXALFBBCKLK-JTQLQIEISA-N 472.592 5.216 50 10 JKGE C[C@@H]1Cc2cc([C@@H](Br)c3ccc(Cl)cc3I)ccc2O1 2365597490 HGWUHLNDMAFJDF-JDNHERCYSA-N 463.540 5.752 50 10 JKGE Cc1cccc([C@@H](Br)CCc2cc(Cl)cc(Cl)c2)c1I 2366889939 XWNVMLOWIMNKES-HNNXBMFYSA-N 484.002 6.975 50 10 JKGE Fc1cc([C@@H](Br)c2cc(Cl)c(Br)cc2F)c(Cl)cc1Cl 2379736812 YODFFFXPOGTYFV-CYBMUJFWSA-N 465.346 7.172 50 10 JKGE Cc1ccc(Cl)cc1N(C(=O)CCl)[C@H](C(=O)NC1CCCCC1)c1ccc(Cl)cc1 3035280 VKEDKDPJPHNQJZ-QFIPXVFZSA-N 467.824 6.064 50 10 JKGE Cc1ccc(-n2c(SCC(=O)C(C#N)=C3N(C)c4ccccc4N3C)nnc2-c2ccccc2)cc1 23013724 UKBRCZMOYAYHLU-UHFFFAOYSA-N 492.608 5.225 50 10 JKGE CCN(CC)S(=O)(=O)c1ccc(C(=O)Oc2ccc(/C=C(/C#N)c3ccc(Cl)cc3)cc2)cc1 31901268 BUXKXULLRFGXFB-XLNRJJMWSA-N 495.000 5.654 50 10 JKGE N#C/C(=C\c1ccc(N2N=C(c3ccccc3)C[C@@H]2c2ccccc2)cc1)c1nc(O)c2ccccc2n1 33568805 QHXHXSUSLBEMLG-CVFWLPFASA-N 493.570 6.755 50 10 JKGE N#C/C(=C/c1ccc(OCc2ccc(Br)cc2)cc1)C(=O)N1CCc2ccccc2C1 33582179 GAZJBXSPDKHRCN-HAHDFKILSA-N 473.370 5.520 50 10 JKGE N#C/C(=C/c1c(Cl)cccc1Cl)c1ccc(/C(C#N)=C\c2c(Cl)cccc2Cl)cc1 33596762 UBWXHPZAORHBHO-WHYMJUELSA-N 470.186 8.429 50 10 JKGE CCOC(=O)c1ccc(-c2ccc(/C=C(/C#N)c3nc(O)c4cc(OCC)ccc4n3)o2)cc1 34988601 JYPFMUNLJNRLTH-AQTBWJFISA-N 455.470 5.235 50 10 JKGE N#C/C(=C\c1ccc(-c2c(Cl)cccc2Cl)o1)C(=O)Nc1ccc(Cl)c(C(F)(F)F)c1 35519395 MERJZAZAZQAYIB-DHZHZOJOSA-N 485.676 7.471 50 10 JKGE CCOc1ccccc1C(=O)Oc1ccc2c(c1)OC(N)=C(C#N)[C@@H]2c1ccc(C(C)(C)C)cc1 38649870 KXAYFAHWZFTYDC-AREMUKBSSA-N 468.553 5.820 50 10 JKGE COc1cccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4ccc(Cl)cc4Cl)ccc32)c1 38650161 FKVDIJUNWAWLOQ-JOCHJYFZSA-N 467.308 5.439 50 10 JKGE Cc1c(C(=O)N2c3ccc(F)cc3CC[C@@H]2C)oc2c1/C(=N/NC(=O)c1ccccc1)CCC2 40804047 SVJBTDWHOOZXOT-QWGNJLLNSA-N 459.521 5.179 50 10 JKGE CCCCCCOC(=O)c1ccc(NC(=O)/C(C#N)=C/c2ccc(OCC)c(OC)c2)cc1 40858363 YJJGUALJAJEQRW-LTGZKZEYSA-N 450.535 5.377 50 10 JKGE O=C(CCCSc1nnc(CCc2ccccc2)n1-c1ccccc1)N/N=C/C=C/c1ccccc1 58989865 AWKXDWPRQZRMNG-NIOOADNJSA-N 495.652 5.740 50 10 JKGE CC(C)(c1ccccc1)c1ccc(OCC(=O)N/N=C/c2ccc3c(c2)Cc2ccccc2-3)cc1 59146465 PPMHDTUDZYATEB-UZWMFBFFSA-N 460.577 6.113 50 10 JKGE CCOc1cc(/C=N/NC(=O)c2ccc(OC)c(OC)c2)ccc1OCc1ccccc1Cl 59920832 HSDLAJDAZYUXRV-JFLMPSFJSA-N 468.937 5.099 50 10 JKGE COc1cc(N/C=C(/C#N)c2nc(-c3ccc(Br)cc3)cs2)c(C)cc1[N+](=O)[O-] 102453499 HGTCTAMWWAFGPO-UVTDQMKNSA-N 471.336 5.774 50 10 JKGE N#C/C(C(=O)Cn1cnc2scc(-c3ccc4c(c3)CCCC4)c2c1=O)=C1\Nc2ccccc2S1 103908126 MBOMQYZVSCEPCE-PLRJNAJWSA-N 496.617 5.526 50 10 JKGE Cl[C@H](c1cccc(I)c1)c1ccc(Br)c2ccccc12 127522479 IZCLDOCTWJDZHV-QGZVFWFLSA-N 457.536 6.535 50 10 JKGE COc1c(Br)cc(Cl)cc1[C@H](Cl)c1ccc(Br)c(Cl)c1 129126645 XVHDHRNSPRHGOM-CYBMUJFWSA-N 459.392 6.855 50 10 JKGE COc1cccc(C(=O)N/N=C/c2ccc(OCc3ccc(Cl)c(Cl)c3)c(OC)c2)c1 169878443 PEJHCVUYFPVLKR-LGJNPRDNSA-N 459.329 5.354 50 10 JKGE CCOc1cc(/C=C(/C#N)c2nc(-c3ccc(Cl)cc3)cs2)cc([N+](=O)[O-])c1OCC 169939480 PCJNIXOAXYMRBA-SXGWCWSVSA-N 455.923 6.233 50 10 JKGE COc1cc(/C=C(/C#N)C(=O)NCc2ccco2)ccc1OC(=O)c1ccc(-c2ccccc2)cc1 206435109 VXWBOEJQIHHUON-JLPGSUDCSA-N 478.504 5.398 50 10 JKGE O=c1[nH]c2cc(Br)c([C@@H](Br)c3cccc(Br)c3Cl)cc2[nH]1 228453122 PRJMLUZQDGKLDW-LBPRGKRZSA-N 495.396 5.519 50 10 JKGE CC[C@H](C)c1ccc([C@@H](Br)c2ccc(I)c(Cl)c2)cc1 232342869 ZVNWUAUYGFAFKT-APPDUMDISA-N 463.584 6.942 50 10 JKGE Cc1ccccc1C[C@@H](Br)c1cc(Br)ccc1I 235789778 JAVSZSRWVXGSEV-CQSZACIVSA-N 479.981 6.041 50 10 JKGE Fc1ccc(Cl)cc1COc1c(Br)cc(CBr)cc1Br 236148637 PROBOMNKWPBVGI-UHFFFAOYSA-N 487.388 6.478 50 10 JKGE O=C(NN=Cc1cccc(Oc2ccccc2)c1)c1cc(-c2ccc3c4c(cccc24)CC3)n[nH]1 254381320 PFUVUUHJOQQHHW-UHFFFAOYSA-N 458.521 5.885 50 10 JKGE CC(/C=C/c1ccccc1)=NNC(=O)CCCCCCC(=O)NN=C(C)/C=C/c1ccccc1 254481701 IBVRVFSLMRAXPQ-COQKHZPQSA-N 458.606 5.738 50 10 JKGE CC[C@@H]1CCC[C@H](O[C@@]2(CI)CCCN(C(=O)OC(C)(C)C)C2)C1 303742213 XNABZRZUPWGIAB-JTDSTZFVSA-N 451.389 5.177 50 10 JKGE Fc1ccc2nc(CCl)n(-c3ccc(I)cc3Br)c2c1 312239959 HSNAFQIBFPHFPK-UHFFFAOYSA-N 465.491 5.271 50 10 JKGE Fc1cc(Br)cc([C@H](Cl)c2cc(I)cc3c2OCC3)c1 379966423 HAPCOJLESAXQQL-AWEZNQCLSA-N 467.503 5.456 50 10 JKGE C[C@H]1[C@@H](C)N(c2cccc(Br)c2CBr)C[C@@H](C)N1Cc1ccccc1 404295831 XEUVQICBWJIDEC-IXDOHACOSA-N 466.261 5.832 50 10 JKGE CC(C)(C)OC(=O)NCCN1c2ccccc2NC[C@@H]1c1ccccc1CO[Si](C)(C)C(C)(C)C 616588114 WXGSVQXEVLMFFM-RUZDIDTESA-N 497.756 6.706 50 10 JKGE CC(C)(C)[Si](C)(C)OCCc1ccccc1[C@@H]1COCCCN1CCO[Si](C)(C)C(C)(C)C 616596871 JHEDWFABSGHEHT-VWLOTQADSA-N 493.881 7.036 50 10 JKGE Brc1csc([C@@H](Br)Cc2nc3ccccc3s2)c1Br 705465046 PTFGOFRXEOGMPL-ZETCQYMHSA-N 482.060 6.562 50 10 JKGE Cc1ccc([C@@H](Br)Cc2ccc(Br)cc2F)c(C)c1Br 719598837 QEAGMDTWPHLNNW-AWEZNQCLSA-N 464.998 6.646 50 10 JKGE C[C@H]1Cc2cc(Br)cc([C@@H](Br)c3ccc(Br)s3)c2O1 720031284 HBLPMCRGQLPSOG-WPPNPWJKSA-N 467.020 6.081 50 10 JKGE CC(C)(C)OC(=O)N1C[C@H](c2ccc(F)c(C(F)(F)F)c2)[C@@H](CI)C1 725418063 DVIIBQBTFALKBP-NWDGAFQWSA-N 473.248 5.230 50 10 JKGE C=CCc1cc(C=NNC(=O)c2cc3ccccc3o2)cc(OCC)c1OCc1ccccc1C#N 1084014623 MXBUDTFSQIERNZ-UHFFFAOYSA-N 479.536 5.775 50 10 JKGE CCOc1cc(C=NNC(=O)c2ccc(CSc3ccccc3)cc2)ccc1OCc1ccccc1 1084475786 RUOIQBVYJSTXTD-UHFFFAOYSA-N 496.632 6.721 50 10 JKGE CC(=NNC(=O)[C@@H](C)SCc1ccccc1)c1ccc2c(c1)[C@@H]1C=CC[C@@H]1[C@H](c1ccccc1)N2 1084482365 QIHJRFVCRSSZSP-BJWTXYQKSA-N 481.665 6.675 50 10 JKGE Cc1c(Br)c(C=NNC(=O)[C@H](C)SCc2ccccc2)c(C)n1-c1ccccc1 1084506877 YEYADLITMJPIAE-SFHVURJKSA-N 470.436 5.629 50 10 JKGE Cc1ccc(O)c([C@H]2C(C#N)=C(N)Oc3c2c(-c2ccccc2)nn3Cc2cccc(Cl)c2)c1 1865686893 DMKCIULHAGYWMW-QHCPKHFHSA-N 468.944 5.484 50 10 JKGE CCOc1cccc([C@H]2C(C#N)=C(N)Oc3c2c(-c2ccccc2)nn3Cc2ccccc2F)c1 1865690702 ZCUINSXYWYRUPL-DEOSSOPVSA-N 466.516 5.354 50 10 JKGE CCCc1nn(Cc2ccc(Cl)c(Cl)c2)c2c1[C@@H](c1sccc1C)C(C#N)=C(N)O2 1865699421 TYBVWPJIIKWTMH-SFHVURJKSA-N 459.402 5.779 50 10 JKGE CCCn1nc(C)c2c1OC(N)=C(C#N)[C@@H]2c1ccc(OCc2ccc(Cl)cc2Cl)cc1 1865700913 HONVWIDAQBLIMD-QFIPXVFZSA-N 469.372 5.706 50 10 JKGE Cc1ccccc1COc1ccc([C@H]2C(C#N)=C(N)Oc3c2c(C)nn3Cc2cccc(Cl)c2)cc1 1865702933 IPZXKBDEDVAKOC-MHZLTWQESA-N 496.998 5.999 50 10 JKGE C[C@@H]1CN(c2cc(Nc3ccc(SC#N)cc3)nc(-c3ccccc3)n2)C[C@H](c2ccc(F)cc2)O1 1868364606 ARKHXJLXTCKDDC-KBMIEXCESA-N 497.599 6.566 50 10 JKGE COc1cc(/C=C(\C#N)n2cnc3ccccc32)ccc1OCc1ccc(Cl)c(Cl)c1 1872727259 KMVJXAFOLWVADH-VCHYOVAHSA-N 450.325 6.452 50 10 JKGE CCc1cccc(C)c1N1C[C@H](/C(O)=C(\C#N)c2nc(-c3ccccc3OC)cs2)CC1=O 1872747041 LDWOAGJECZYHJG-OFGUMHRGSA-N 459.571 5.535 50 10 JKGE CCOc1ccc(-c2csc(/C(C#N)=C(\O)c3ccc(N4C(=O)c5ccccc5C4=O)cc3)n2)cc1 1872747856 WQTIZUAVMPWRFU-BZZOAKBMSA-N 493.544 5.959 50 10 JKGE COC(=O)c1ccc(/C=C/C(O)=C(\C#N)c2nc(-c3cc(Cl)c(OC)c(Cl)c3)cs2)cc1 1872756282 WHYGPKYTDYDBBP-ZKVDAEGBSA-N 487.364 6.418 50 10 JKGE COc1ccc(-c2csc(/C(C#N)=C(O)/C=C/c3ccc(Cl)c(Cl)c3)n2)c(OC)c1OC 1872759735 XWQFTNWVDVHOFC-UBKVLETQSA-N 489.380 6.649 50 10 JKGE COc1cc(/C=C(\C#N)c2nc(-c3ccc(F)c(C)c3)cs2)ccc1OC(=O)c1ccccc1 1872790862 IORRAXZEOIVDFY-FYJGNVAPSA-N 470.525 6.550 50 10 JKGE CCOc1cc(/C=C(\C#N)c2nc(-c3ccc(F)c(F)c3)cs2)ccc1OCC(=O)N(CC)CC 1872792986 BOQBOTCUAUEAOT-YBFXNURJSA-N 497.567 5.798 50 10 JKGE Fc1cc(Br)c2nc(CCl)n(C[C@H]3CCCCN3Cc3ccccc3)c2c1 1912673365 BOHNWAYVFSJTKA-QGZVFWFLSA-N 450.783 5.731 50 10 JKGE C[C@@H](c1cccs1)N(Cc1ccccc1)c1ccc(CBr)cc1C(F)(F)F 1914842881 RDLCLEHUDWTBBM-HNNXBMFYSA-N 454.355 7.430 50 10 JKGE CN(C[C@H](Br)COCc1ccccc1)C(=O)c1ccc(C(F)(F)F)c(Cl)c1 1916392561 AWEKIWYRJCGUFZ-HNNXBMFYSA-N 464.709 5.411 50 10 JKGE Cc1c(Br)sc([C@@H](Br)CC(F)(F)C(F)(F)F)c1Br 1922912788 QSHJWYACXUKMBL-BYPYZUCNSA-N 480.916 6.605 50 10 JKGE C[C@@H]1[C@H]([C@@H](Br)c2c(Br)sc(Br)c2Cl)C1(F)F 1923073896 CUGXOEFJFALOLF-GMSGWIQWSA-N 459.375 6.264 50 10 JKGE CC(C)CCN(CCBr)C(=O)c1cc(Br)sc1Br 1924441971 LPPFWZQPBNKMKQ-UHFFFAOYSA-N 462.045 5.156 50 10 JKGE Cl[C@@H](c1c(Br)sc(Br)c1Br)C(C1CC1)C1CC1 1924583868 QBRRTKOGRQWWLP-SNVBAGLBSA-N 463.460 6.752 50 10 JKGE Cl[C@@H](CC[C@H]1CCOC1)c1c(Br)sc(Br)c1Br 1924604417 BLLVFYNSCUVRDK-BQBZGAKWSA-N 467.448 6.132 50 10 JKGE Cl[C@H](c1csnc1Br)c1cc(Br)sc1Br 1925226425 ULMGQRVJCCXXSD-LURJTMIESA-N 452.418 5.820 50 10 JKGE Clc1sc([C@@H](Br)c2cscc2OCc2ccccc2)cc1Br 1934837793 DCAWMMDBUFAPFF-HNNXBMFYSA-N 478.658 7.289 50 10 JKGE Fc1cc(Cl)c(Br)cc1[C@@H](Br)c1ccc(Br)s1 1948504831 PGPYWIBIKGDSJK-LLVKDONJSA-N 463.391 6.550 50 10 JKGE Cc1cc([C@@H](Br)c2c(Cl)sc(Br)c2Cl)sc1Cl 2000996739 BJMTUKXBUJSWON-ZCFIWIBFSA-N 455.451 7.325 50 10 JKGE CN(Cc1ccccc1)[C@H]1CCCN(c2ccc(Br)cc2CBr)C1 2003359832 FERUMSIHAOFHJK-IBGZPJMESA-N 452.234 5.445 50 10 JKGE Clc1cccc(Br)c1[C@H](Br)Cc1cccc(Br)c1 2050320098 QJQGUZBNLOGLAV-GFCCVEGCSA-N 453.399 6.544 50 10 JKGE Brc1csc([C@@H](Br)c2cc(Br)c3c(c2)CCO3)c1 2052449126 GQDGJJUPJLUPOL-LBPRGKRZSA-N 452.993 5.692 50 10 JKGE COc1cc(Cl)c([C@H](Br)c2cc(Br)sn2)cc1Br 2082377068 NEUKQUXGHJJIHE-NSHDSACASA-N 476.415 5.814 50 10 JKGE COc1cc(F)c(Cl)cc1[C@H](Br)c1sccc1I 2086229721 BBKRHCURLAIOSP-NSHDSACASA-N 461.521 5.638 50 10 JKGE CC(C)[C@@H]1CC[C@H](Br)[C@H](Cc2ccc(Br)cc2Br)C1 2092268123 UYUCYDCJYAUDRR-ZLDLUXBVSA-N 453.056 6.590 50 10 JKGE C[C@@H]1[C@H](Br)C[C@H]2CC[C@H]1N2C(=O)c1csc(Br)c1Br 2093947887 KILOJHWPSJKNJA-KHUVANEUSA-N 472.040 5.050 50 10 JKGE CC(C)(CO[C@H](CI)c1ccccc1Br)C(F)(F)F 2094247797 ZMRWZXULKGQZSD-LLVKDONJSA-N 451.064 5.530 50 10 JKGE CCn1ncc(Br)c1[C@H](Br)c1cc(Cl)c(Br)cc1F 2094272529 XFZBQTMDFDDOSU-LLVKDONJSA-N 475.381 5.705 50 10 JKGE Clc1cc(Br)cc([C@H](Br)c2cc(C3CC3)c(Br)s2)c1 2094672544 ACAILZYXQANYDW-ZDUSSCGKSA-N 485.466 7.288 50 10 JKGE Fc1cc(Cl)c(Br)cc1[C@H](Br)c1cccc(F)c1Br 2097835563 STLUSLNTUIRUFL-GFCCVEGCSA-N 475.352 6.628 50 10 JKGE CC[C@@H](Br)[C@@H]1CCCCN1Cc1cc(Cl)ccc1I 2114198622 RZCJUWWDKWYBCJ-HIFRSBDPSA-N 456.593 5.473 50 10 JKGE BrC[C@]1(Cc2c(Br)cccc2Br)CCCCC12CC2 2117007027 IYWCWZUUFDERIT-MRXNPFEDSA-N 451.040 6.490 50 10 JKGE C[C@H]1CCC[C@](CBr)(Cc2cc(Br)ccc2Br)CC1 2118528483 QKAAXLKRSKUMDF-BLLLJJGKSA-N 453.056 6.736 50 10 JKGE Cc1cc(Cl)c(Br)cc1[C@@H](Br)c1c(Br)nn(C)c1C 2137644084 WQHZYFATBXBIHF-GFCCVEGCSA-N 471.418 5.700 50 10 JKGE CC[C@]12CO[C@]([C@@H](Br)c3ccc(Br)c(C)c3Br)(C1)C2 2140289111 CFBPBEKCYOREPI-SOUVJXGZSA-N 453.012 5.915 50 10 JKGE Clc1ccc(Oc2cccc(Br)c2CBr)c(Br)c1Cl 2141425643 HGXSGOHUTXHTSI-UHFFFAOYSA-N 489.816 7.206 50 10 JKGE COc1c(C)cc(Br)cc1[C@@H](Br)c1scc(C)c1Br 2141638956 HDECNYRGBBFLKP-GFCCVEGCSA-N 469.036 6.383 50 10 JKGE COc1ccc(CBr)cc1OCc1ccc(Br)cc1Br 2148686415 WZIZNZHPKOQFKN-UHFFFAOYSA-N 464.979 5.694 50 10 JKGE C[C@@H](Cl)c1nc2cc(Br)c(F)cc2n1C1CC(COCc2ccccc2)C1 2149051360 OADBLWWCWLYECV-IUDNXUCKSA-N 451.767 6.406 50 10 JKGE Fc1cc(Cl)c(Br)cc1[C@H](Br)c1c(F)cc(Br)cc1F 2154120692 HYDJRJHAPLXNFG-ZDUSSCGKSA-N 493.342 6.767 50 10 JKGE CC(C)(C)OC(=O)NCC[C@@H](N(C[C@H](CBr)C1CCC1)C1CC1)C(F)(F)F 2163065373 ZPXOWGLZLJMJIN-GOEBONIOSA-N 457.375 5.108 50 10 JKGE CC(C)(C)[C@@H]1[C@H](Br)CCN1C(=O)c1ccc(Br)cc1Br 2185098840 BPWUBLXPSZFIIE-YPMHNXCESA-N 468.027 5.236 50 10 JKGE COc1cc(C)c([C@@H](Br)c2c(Cl)cccc2Br)cc1Br 2198731936 CVPUSKZETZEZPM-OAHLLOKOSA-N 483.425 6.666 50 10 JKGE Cc1cc(Br)c(C)c([C@@H](Br)C2(CC(F)F)CCC2)c1Br 2201068362 QSUNHOXYJBNPJK-CQSZACIVSA-N 475.009 7.090 50 10 JKGE Cc1cc(Br)c(C)c([C@H](Br)CC[C@@H]2CCCCO2)c1Br 2201072170 UGWLDSCSHAEFMM-QWHCGFSZSA-N 469.055 6.614 50 10 JKGE Cc1cc(Br)c(C)c([C@H](Br)C2(S(C)(=O)=O)CCC2)c1Br 2201080188 WWQNGJLEHSUIBA-ZDUSSCGKSA-N 489.067 5.232 50 10 JKGE Fc1cccc([C@H](Br)c2ccc(-c3cccs3)s2)c1I 2205870894 UZRDZKHOPLLVEU-AWEZNQCLSA-N 479.177 6.705 50 10 JKGE CC(C)CN1C[C@H](Cl)[C@@H](c2sc(Br)c(Br)c2Br)C1 2222473373 SAVNAENECZIKAZ-YUMQZZPRSA-N 480.491 5.698 50 10 JKGE C[C@@H](CN(C)Cc1ccccc1)n1c(CCCl)nc2cc(Br)c(Br)cc21 2225692692 AHXPQTFDSGUKOJ-AWEZNQCLSA-N 499.678 6.036 50 10 JKGE CCOCc1cc(Br)c([C@@H](Br)c2cc(Cl)ccc2Cl)s1 2233024258 VPUTYXLANVIPRJ-ZDUSSCGKSA-N 459.030 6.838 50 10 JKGE Clc1cc(CN2CC[C@@H]3[C@@H](Br)CCC[C@@H]3C2)ccc1I 2233836444 KZUZTPVPUOCCLM-RDBSUJKOSA-N 468.604 5.330 50 10 JKGE COc1ccc([C@H](Br)c2cc(Br)sn2)cc1I 2248888639 OSIGFUCBIPTCQN-NSHDSACASA-N 488.970 5.003 50 10 JKGE CS(=O)(=O)[C@H]1C[C@H]([C@@H](Br)c2c(Cl)sc(Br)c2Cl)C1 2257628754 RBIJYBWELGOCJM-WYDQCIBASA-N 457.036 5.077 50 10 JKGE COc1ccc([C@H](Cl)c2cc(Cl)cc(Br)c2)cc1I 2269548433 WIJSBONOAQKAFI-AWEZNQCLSA-N 471.947 6.044 50 10 JKGE COc1c([C@@H](Br)Cc2cc(Br)cc(Br)c2)csc1C 2277958005 ZMEDJCILGGOXCC-ZDUSSCGKSA-N 469.036 6.269 50 10 JKGE C[C@@]1([C@@H](Br)Cc2cc(Br)cc(Br)c2)CCCC1(F)F 2277964181 CUDMOVGVSACHIO-STQMWFEESA-N 460.982 6.343 50 10 JKGE COc1c(Br)cc(Cl)cc1[C@H](Cl)c1scc(Br)c1Cl 2277977665 RCWXNGPADNIRCW-VIFPVBQESA-N 465.421 6.917 50 10 JKGE Cc1c([C@@H](Br)c2cc3sc(Br)cc3s2)nn(C)c1Br 2278011894 NESLCPYIAPOOIW-JTQLQIEISA-N 485.064 6.014 50 10 JKGE Clc1c(Br)csc1[C@@H](Br)c1ccc(Cl)c2ccccc12 2279290566 BCNSOCQZKDFNFY-ZDUSSCGKSA-N 451.010 7.455 50 10 JKGE BrCCCCC1CCN(Cc2ccc(Br)cc2Br)CC1 2283192417 XDXXNNDYXMARGN-UHFFFAOYSA-N 468.071 5.989 50 10 JKGE CN(C(=O)c1ccc(Cl)c(I)c1)[C@@H]1CCCCC[C@@H]1Br 2283666206 QACMOGAZVNUAAH-SMDDNHRTSA-N 470.576 5.113 50 10 JKGE Cc1cccc(NC(=O)C(C#N)=Cc2ccc(Oc3ccc(C(F)(F)F)cc3[N+](=O)[O-])cc2)c1 2294171833 BZYGKSWOQQLQKN-UHFFFAOYSA-N 467.403 6.260 50 10 JKGE N#CC(=Cc1cn(Cc2ccc(Br)cc2)c2ccccc12)S(=O)(=O)c1ccccc1 2295727147 XAACHIMHGMGVQS-UHFFFAOYSA-N 477.383 5.790 50 10 JKGE CCOC(=O)c1c(NC=C(C#N)c2nc(-c3ccc(CC(C)C)cc3)cs2)sc2c1CCCC2 2296038045 CCBNNLSUGMKEQA-UHFFFAOYSA-N 491.682 7.102 50 10 JKGE CCCCCCOc1ccc(-c2nn(-c3ccccc3)cc2C=C(C#N)C(=O)NC[C@@H]2CCCO2)cc1 2296705040 IEZKWPJIXXCADC-NDEPHWFRSA-N 498.627 5.701 50 10 JKGE N#CC1=C(N)OC2=C(CCCC2=Cc2ccc(Cl)cc2Cl)[C@@H]1c1ccc(Cl)cc1Cl 2297109881 QLLPKSDLBNFQPY-NRFANRHFSA-N 478.206 7.629 50 10 JKGE COc1ccc(NC(=O)C(C#N)=Cc2cn(CCOc3cc(C)ccc3C(C)C)c3ccccc23)cc1 2297123814 JWXTYJFUEKDMAO-UHFFFAOYSA-N 493.607 6.706 50 10 JKGE CC(C)Oc1c(Br)cc(Br)cc1C=C(C#N)c1nc2ccccc2[nH]1 2297531720 BGJUDKNXHKTMOA-UHFFFAOYSA-N 461.157 5.939 50 10 JKGE Brc1cc(OCc2ccccc2)ccc1[C@H](Br)[C@]12CCC[C@H]1CC2 2299494226 HQNBVGFZFZZTMB-NDXORKPFSA-N 450.214 7.044 50 10 JKGE CC[C@@H](CC(C)C)[C@H](Br)c1ccc(OCc2ccccc2)cc1Br 2299534215 BARJMEUKIVCZKQ-UWJYYQICSA-N 454.246 7.536 50 10 JKGE CCC[C@@H](C)[C@@H](Br)c1c(Cl)cc(Br)c(F)c1Br 2300172440 QTQKRVIWOZIFLM-LHLIQPBNSA-N 451.399 6.876 50 10 JKGE O=C(N[C@H](CCBr)COCc1ccccc1)c1ccc(Br)c(Cl)c1 2303544293 AYHIWESBRYEGRV-OAHLLOKOSA-N 475.608 5.203 50 10 JKGE COc1cc(C=C(C#N)C(=O)Nc2cccc(C)c2C)ccc1OCc1ccc(Cl)cc1Cl 2313667242 ISYXEZDLXSTCTN-UHFFFAOYSA-N 481.379 6.744 50 10 JKGE Cc1cc(Oc2nc3c(C)cccn3c(=O)c2C=C(C#N)c2nc3ccccc3n2C)ccc1Cl 2314436781 BXXAYKBGGKVZEA-UHFFFAOYSA-N 481.943 5.708 50 10 JKGE C[C@H](C1CCCCC1)[C@H](Br)c1cc(Br)ccc1OCc1ccccc1 2314456419 WXUVLQCYWIWHJX-ZHRRBRCNSA-N 466.257 7.681 50 10 JKGE N#CC(=Cc1ccc(-n2nc(-c3ccccc3)cc2-c2ccccc2)cc1)c1ccc(Cl)cc1Cl 2314482924 ZOVPDOKQEXEZHP-UHFFFAOYSA-N 492.409 8.577 50 10 JKGE CC1=C(C#N)C(=O)N(Cc2ccccc2)C(=O)C1=Cc1cn(-c2ccccc2)nc1-c1ccc(C)cc1 2314611069 PSQUYOJOPDGFDY-UHFFFAOYSA-N 484.559 5.640 50 10 JKGE COc1ccc(C=CC(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@@H]3c2ccc(Cl)cc2)cc1 2314634009 ASSABLCGQWIRGF-RUZDIDTESA-N 458.901 5.186 50 10 JKGE COc1ccc(C=CC(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@H]3c2ccc(Cl)cc2)cc1 2314634010 ASSABLCGQWIRGF-VWLOTQADSA-N 458.901 5.186 50 10 JKGE CCc1ccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)C=Cc4ccc(OC)cc4)ccc32)cc1 2314634360 HXCUMTZHBFNRDL-MHZLTWQESA-N 452.510 5.095 50 10 JKGE Clc1ccc([C@H](Br)Cc2ccccc2Cl)c(I)c1 2317769743 YOCAKHTYHLKTTE-GFCCVEGCSA-N 455.948 6.277 50 10 JKGE O=C(Cc1ccccc1)NN=Cc1ccc(N2N=C(c3ccccc3)C[C@H]2c2ccccc2)cc1 2323330366 MXEXGBGWTOXZAH-LJAQVGFWSA-N 458.565 5.735 50 10 JKGE CC1(C)C[C@@H](Br)CN(Cc2ccc(I)c(Br)c2)C1 2325219461 YYTVAUBUDQORHS-LLVKDONJSA-N 487.017 5.049 50 10 JKGE N#CC(=CN1CCN(c2cccc(Cl)c2)CC1)C(=O)Nc1ccccc1Sc1ccccc1 2325339427 FAKNTSDYDPXXGG-UHFFFAOYSA-N 475.017 5.659 50 10 JKGE COc1ccc(OC)c(-c2csc(C(C#N)=C(O)CCCOc3c(C)cccc3C)n2)c1 2331325919 CMKPHOJYYGFCSK-UHFFFAOYSA-N 450.560 6.096 50 10 JKGE COc1ccc(-c2csc(C(C#N)=C(O)C=Cc3ccc(Cl)c(Cl)c3)n2)c(C)c1C 2331362346 ZANPDOTXPXYGGV-UHFFFAOYSA-N 457.382 7.248 50 10 JKGE COc1c(Cl)cc(Cl)cc1-c1csc(C(C#N)=C(O)COc2ccc(Cl)c(C)c2)n1 2331362572 CBJVNIPIGXIHTB-UHFFFAOYSA-N 481.788 6.959 50 10 JKGE COc1c(C)cc(C)cc1-c1csc(C(C#N)=C(O)[C@@H]2CC(=O)N([C@@H](C)c3ccccc3)C2)n1 2331373282 VLDFTJBMZYRZIN-AZUAARDMSA-N 473.598 5.838 50 10 JKGE CC(C)c1ccccc1O[C@@H](C)C(O)=C(C#N)c1nc(-c2cc(Cl)ccc2Cl)cs1 2331404454 IALPLLGJQAZLBB-AWEZNQCLSA-N 459.398 7.500 50 10 JKGE C[C@H]1Cc2cc(Br)cc([C@@H](Br)c3cnsc3Br)c2O1 2337333890 GISZBQQHLKMGJP-UPONEAKYSA-N 468.008 5.476 50 10 JKGE Fc1ccc(Oc2cc(Br)cc(I)c2)c(CCl)c1Cl 2338753896 BCZNEIBBDLIPHD-UHFFFAOYSA-N 475.910 6.377 50 10 JKGE Cc1c([C@H](Br)c2cc(Br)ccc2Br)ccc(Cl)c1Cl 2339152869 KKMKYSNQGGCNAG-ZDUSSCGKSA-N 487.844 7.311 50 10 JKGE CCOc1ccc([C@H](Br)c2cc(Br)sc2Br)c(F)c1 2341741513 CRZNLZZMZMNXFS-LBPRGKRZSA-N 472.999 6.295 50 10 JKGE Cl[C@H]1CCCC[C@@H](CNCc2ccc(I)c(Br)c2)C1 2349839919 KRPIBSXXWJJEFO-YPMHNXCESA-N 456.593 5.331 50 10 JKGE Fc1cc(Br)c(F)c(Br)c1[C@@H](Br)C[C@H]1CCC[C@@H]2C[C@H]12 2359750218 YTPLQZUJEATPOX-IMSYWVGJSA-N 472.993 6.752 50 10 JKGE FCCOc1cccc([C@H](Br)c2ccc(OCc3ccccc3)cc2Br)c1 2361200135 GYSBRDRSTVYSGJ-QFIPXVFZSA-N 494.198 6.861 50 10 JKGE COc1c(Br)cc(C)c([C@@H](Br)CC(F)(F)C(F)F)c1Br 2365195224 ZVKKCHTVTYRBHV-ZETCQYMHSA-N 486.923 6.255 50 10 JKGE CC(C)[C@@H](Br)C(C)(C)CN(C)C(=O)c1cc(Br)c(Br)s1 2365906177 BUYDOCKQNXJNNM-LLVKDONJSA-N 490.099 5.791 50 10 JKGE Cc1sc(Br)cc1[C@H](Br)c1cc2c(cc1Br)OCCC2 2369617919 FOLUUTIQWQTFPN-HNNXBMFYSA-N 481.047 6.391 50 10 JKGE CC(C)O[C@@H]1CCC[C@@H]1Oc1c(Br)cc(Br)cc1CBr 2370920693 AOFDDWIODDVNTO-KGLIPLIRSA-N 471.027 5.831 50 10 JKGE N#CC1=C(S)N(c2ccccc2)[C@H](/C=C/c2ccc(-c3ccc(Br)cc3)o2)NC1=O 2670600 LVPJBMTYVUAHGM-ZOXUKVPXSA-N 478.371 5.350 50 10 JKGE COc1ccc(-c2nnc(SCC(=O)NN=Cc3ccc(C(C)C)cc3)n2-c2ccccc2)cc1 19849251 GQGHZXQKEADZRK-UHFFFAOYSA-N 485.613 5.309 50 10 JKGE CCOc1ccc(OCC(=O)Oc2ccc(/C=C(/C#N)c3ccc(OC)c(OC)c3)cc2)cc1 31901052 RNDQQINOYPKOHO-QNGOZBTKSA-N 459.498 5.151 50 10 JKGE N#C/C(=C/c1ccc(-c2ccc(Cl)cc2)o1)C(=O)Nc1ncc(Cc2ccccc2Cl)s1 33339792 KTHXVUMWIUSWRR-BOPFTXTBSA-N 480.376 6.846 50 10 JKGE COc1cc(/C=C(/C#N)c2ccc(Cl)cc2)ccc1OC(=O)c1cc(OC)c(OC)c(OC)c1 33437889 HRARMJLJTCWDBD-ODLFYWEKSA-N 479.916 5.658 50 10 JKGE Cc1cc(/C=C(\C#N)C(=O)N2CCN(c3ccccc3)CC2)c(C)n1-c1sc2c(c1C#N)CCCC2 33889227 PETIAHSEZKQEMI-HAVVHWLPSA-N 495.652 5.162 50 10 JKGE C=CCNC(=O)/C(C#N)=C\c1cn(-c2ccccc2)nc1-c1cccc(OCc2ccccc2Cl)c1 35446039 LZPOINPSKAGBJJ-KQWNVCNZSA-N 494.982 5.981 50 10 JKGE CC1=C(C#N)C(=O)N(CCCOC(C)C)C(=O)/C1=C/c1cn(-c2ccccc2)nc1-c1ccc(C)cc1 38606642 JHKROSUGKTXVKV-YZSQISJMSA-N 494.595 5.255 50 10 JKGE CS(=O)(=O)c1ccc([C@@H](Br)c2cc(Br)sc2Br)cc1 40288811 QEHIKBZIYMRYKY-LLVKDONJSA-N 489.048 5.161 50 10 JKGE Cc1c(C(=O)Nc2cccc(Cl)c2Cl)oc2c1/C(=N/NC(=O)COc1ccccc1)CCC2 40816119 BJJXEINHULDQFQ-OGLMXYFKSA-N 486.355 5.383 50 10 JKGE COc1cc(/C=C(\C#N)c2ccc(Cl)cc2)ccc1OC(=O)COc1cccc(Cl)c1 40851004 NZUJCMVABPKUTM-WOJGMQOQSA-N 454.309 6.051 50 10 JKGE O=C(COc1ccc2ccccc2c1)N/N=C/c1cc(Br)ccc1OCc1ccccc1 40889017 TXVBQJVDKFOQQA-LQKURTRISA-N 489.369 5.710 50 10 JKGE CCCCNC(=O)/C(C#N)=C/c1ccc(OC(=O)CCCOc2cc(C)c(Cl)c(C)c2)c(OC)c1 40991469 FVTIWNMWMGSPPS-RCCKNPSSSA-N 499.007 5.553 50 10 JKGE COc1ccc(/C=N/NC(=O)c2ccc(OCc3ccc(Cl)cc3Cl)cc2)cc1OC 48573419 YQKMVOSWAMQSBA-LGJNPRDNSA-N 459.329 5.354 50 10 JKGE N#C/C(=C/c1ccc(OCC(=O)Nc2ccc(Br)cc2F)cc1)c1nc2ccccc2[nH]1 50568390 OKAAUWQMXQBDKI-WJDWOHSUSA-N 491.320 5.546 50 10 JKGE O=C(N/N=C(/CSc1nc2ccccc2o1)c1ccc([N+](=O)[O-])cc1)c1cccc(Cl)c1 59460702 RITZHVYQRJBKEE-PLRJNAJWSA-N 466.906 5.316 50 10 JKGE O=C(Cc1cccc2ccccc12)N/N=C/c1ccccc1Oc1ccc(C(F)(F)F)cc1[N+](=O)[O-] 59500345 LGJUZYVUKDPOEA-OKCVXOCRSA-N 493.441 6.252 50 10 JKGE N#C/C(C(=O)NCc1ccccc1)=C1\S[C@H](Cc2ccc(Cl)cc2)C(=O)N1c1ccccc1 102666506 DNTAOGUSSXZDSR-QPQMVVSWSA-N 473.985 5.083 50 10 JKGE CCCOc1ccc(-c2nn(-c3ccccc3)cc2/C=C(/C#N)C(=O)N[C@H](C)c2ccccc2)cc1 102859408 GOSBPXAJLPPVAZ-UTDQILSNSA-N 476.580 6.112 50 10 JKGE CCOC(=O)c1c(N/C=C(\C#N)c2nc(-c3ccc(F)cc3)cs2)sc2c1CCCC2 102938806 WXTPAUUPCVKCEB-NTCAYCPXSA-N 453.564 6.043 50 10 JKGE Fc1ccc(Br)cc1[C@H](Cl)c1cc(Br)sc1Br 104031740 SLLVEFNDHVEHNL-JTQLQIEISA-N 463.391 6.503 50 10 JKGE Cc1ccc(C)c(C[C@H](Br)c2cc(Br)sc2Br)c1 109870130 VQAGXHHLEDSJAW-LBPRGKRZSA-N 453.037 6.569 50 10 JKGE O=c1[nH]c2cc(Br)c([C@@H](Br)c3ccc(Cl)cc3Cl)cc2[nH]1 109884086 QHEMDNXPAVFSTM-ZDUSSCGKSA-N 450.945 5.410 50 10 JKGE Cc1ccc(NC(=O)Oc2ccc([N+](=O)[O-])cc2)cc1NC(=O)Oc1ccc([N+](=O)[O-])cc1 111394921 DNVSZCZZFZEHDP-UHFFFAOYSA-N 452.379 5.033 50 10 JKGE FC(F)(F)c1ccc(C[C@H](Br)c2csc(I)c2)cc1 124511735 KCFUTHWOPWUFNZ-NSHDSACASA-N 461.084 6.050 50 10 JKGE CCOc1ccc([C@@H](Br)c2ccc(C)c(Br)c2)c(Br)c1 130492235 UZCRJEBCKMJESV-INIZCTEOSA-N 463.007 6.403 50 10 JKGE O=S(=O)(c1c(Cl)cc(Br)cc1Cl)N(CCBr)C1CCCC1 147274062 BLFVVRMYULSPFX-UHFFFAOYSA-N 480.049 5.084 50 10 JKGE COc1cccc(N(C(=O)CCl)[C@H](C(=O)N[C@H]2CCCC[C@@H]2C)c2ccccc2Cl)c1 169691533 LUNDUKOWYPIUTK-YROCYRMSSA-N 463.405 5.357 50 10 JKGE COc1ccc(/C=C\C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@@H]3c2ccc(SC)cc2)cc1 205655421 KDWAQFHPNALZEA-GPDVAYOPSA-N 470.550 5.254 50 10 JKGE CCCOc1ccc(/C=C(/C#N)C(=O)Oc2ccc(C(=O)Nc3ccc(C)cc3C)cc2)cc1 206415765 REDBOVAWJRJZSM-QJOMJCCJSA-N 454.526 5.857 50 10 JKGE Cc1cc(C)cc(P(c2cc(C)cc(C)c2)[C@H](C)[c-]2cccc2P(c2ccco2)c2ccco2)c1 206531962 HSBADTKRKIAIMS-RUZDIDTESA-N 497.535 6.777 50 10 JKGE CCOc1ccc([C@H](Br)c2ccc(F)cc2Br)cc1Br 228995323 LENIJCBVKWKUQS-HNNXBMFYSA-N 466.970 6.234 50 10 JKGE Cc1cc(F)cc(C)c1[C@H](Br)c1ccc(I)c(Cl)c1 235786425 CXLNDRQHCPLGEJ-OAHLLOKOSA-N 453.520 6.185 50 10 JKGE CC(=NNC(=O)c1cnn2c(C)cc(-c3ccccc3)nc12)c1ccc(NC(=O)c2ccoc2C)cc1 252605348 GJGMMZQQNJJXRD-UHFFFAOYSA-N 492.539 5.012 50 10 JKGE CCOc1ccc(C(=O)Oc2ccc3ccccc3c2C=NNC(=O)c2ccc(OC)c(OC)c2)cc1 254289786 JXXDJCASCZKVFY-UHFFFAOYSA-N 498.535 5.239 50 10 JKGE CC(=NNC(=O)c1ccc(COc2ccc(Cl)c(C)c2)cc1)c1ccc(N2CCOCC2)cc1 254306240 GYBQEYDJBKCPDF-UHFFFAOYSA-N 477.992 5.218 50 10 JKGE CC1(C)C[C@H]2C[C@@](C)(CN2CN2C(=O)C(=NNC(=O)c3ccc(Cl)cc3Cl)c3ccccc32)C1 254405295 ZERXVHMDNIWWAX-MRDQGFSESA-N 499.442 5.332 50 10 JKGE CCCCCOc1ccc(C=NNC(=O)COc2ccc(C(C)(C)c3ccccc3)cc2)cc1OC 256017214 MNYNAWAZQWCAJD-UHFFFAOYSA-N 488.628 6.119 50 10 JKGE CC(C)(C)SCCOc1c(Br)cc(CBr)cc1Br 385457996 SPZSCRQCBHPGPQ-UHFFFAOYSA-N 461.057 6.017 50 10 JKGE Fc1ccc2nc(CCCl)n(CCCN(Cc3ccccc3)Cc3ccccc3)c2c1F 390479685 KUKDORJDDKHJHP-UHFFFAOYSA-N 453.964 6.188 50 10 JKGE COc1cc([C@@H](Br)c2nscc2Br)c(OC)cc1Br 404760440 BSXGUPHOFWPCJC-LLVKDONJSA-N 471.996 5.170 50 10 JKGE Fc1cc(F)c([C@H](Cl)c2ccc(I)c(Br)c2)c(F)c1 721601886 INKMORSUCDYCLB-CYBMUJFWSA-N 461.446 5.799 50 10 JKGE C[C@H]1C[C@H](COc2c(Br)cc(CBr)cc2Br)C[C@@H](C)O1 724392305 LAPMHAWBCLFINH-PEGIJTEDSA-N 471.027 5.689 50 10 JKGE C=CCOc1c(CC=C)cc(C=NNC(=O)c2cc3cc(Br)ccc3o2)cc1OCC 1083967963 GFCGKWWBMMDKKC-UHFFFAOYSA-N 483.362 5.651 50 10 JKGE CCOc1cc(/C=C(\C#N)C(=O)N2CCN(c3ccccc3)CC2)ccc1OCc1ccc(C)cc1 1084436400 SYRFRYUYLTUXAZ-LGUFXXKBSA-N 481.596 5.229 50 10 JKGE O=C(COc1ccc2cc(Br)ccc2c1Br)NN=Cc1ccccc1Cl 1084479931 LJGKCUDQMUXHMK-UHFFFAOYSA-N 496.586 5.547 50 10 JKGE Cc1ccc(C(=O)NN=C2CCCc3oc(C(=O)Oc4cccc5cccnc45)c(C)c32)cc1 1772744831 LMELPXVCYZCTMP-UHFFFAOYSA-N 453.498 5.134 50 10 JKGE Cc1c(C(=O)Nc2cccc3ncccc23)oc2c1C(=NNC(=O)c1cccc3ccccc13)CCC2 1772747328 GJJFNMIWUMIYPV-UHFFFAOYSA-N 488.547 6.012 50 10 JKGE CCc1nn(Cc2ccc(Cl)c(Cl)c2)c2c1[C@H](c1ccc(C(C)(C)C)cc1)C(C#N)=C(N)O2 1865682054 DUICEDZGRVFPMS-JOCHJYFZSA-N 481.427 6.316 50 10 JKGE N#CC1=C(N)Oc2c(c(-c3ccccc3)nn2Cc2ccc(F)cc2)[C@@H]1c1cccc2ccccc12 1865682514 QNARDMUAHAWYJF-AREMUKBSSA-N 472.523 6.109 50 10 JKGE COc1ccc(-c2nn(Cc3ccccc3F)c3c2[C@@H](c2ccc(Cl)cc2)C(C#N)=C(N)O3)cc1 1865682979 CFYBKCLPMNHYFW-QHCPKHFHSA-N 486.934 5.618 50 10 JKGE N#CC1=C(N)Oc2c(c(C(F)(F)F)nn2Cc2c(F)cccc2Cl)[C@@H]1c1cccc(Cl)c1 1865683189 IFNDUYVEBJLLHI-MRXNPFEDSA-N 483.252 5.614 50 10 JKGE N#CC1=C(N)Oc2c(c(C(F)(F)F)nn2-c2cccc(Cl)c2)[C@@H]1c1ccc(Cl)cc1Cl 1865686425 VSMUICBTNGWAGV-OAHLLOKOSA-N 485.680 6.069 50 10 JKGE CCCOc1ccc([C@@H]2C(C#N)=C(N)Oc3c2c(CCC)nn3Cc2ccc(Cl)cc2)cc1 1865693985 NQMAIQVMSJJMJL-HSZRJFAPSA-N 462.981 5.544 50 10 JKGE CCn1nc(-c2ccccc2)c2c1OC(N)=C(C#N)[C@@H]2c1c(OCc2ccccc2)ccc2ccccc12 1865704476 WVAZZCOJKBMZKT-MUUNZHRXSA-N 498.586 6.520 50 10 JKGE Cc1nc(-c2ccc(Cl)c(Cl)c2)ccc1C(=O)N/N=C\c1ccc(Cl)c([N+](=O)[O-])c1 1865762612 RYPVGDADVAWIPQ-VROXFSQNSA-N 463.708 5.689 50 10 JKGE N#CSc1ccc(NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)CCCc2cccc(Cl)c2)cc1 1867119299 FBWRGTHTYLAPSX-DEOSSOPVSA-N 494.016 5.308 50 10 JKGE CCCc1nc(Nc2ccc(SC#N)cc2)cc(N2C[C@H](C)O[C@H](c3ccc(F)cc3)C2)n1 1868388333 ITBGYFAMPSVVDH-JTSKRJEESA-N 463.582 5.851 50 10 JKGE CN1CCN(c2cc(Nc3ccc(SC#N)cc3)nc(-c3cccnc3)n2)C[C@@H]1c1ccccc1 1868564463 AVVNYAYLWXGOAB-XMMPIXPASA-N 479.613 5.348 50 10 JKGE CCCCc1ccc(-c2csc(/C(C#N)=C(\O)c3ccc4c(c3)C(=O)N(C(C)(C)C)C4=O)n2)cc1 1872744774 HSKKBMRQMIXBGU-GYHWCHFESA-N 485.609 6.497 50 10 JKGE CCCCCCOc1ccc(/C(O)=C(\C#N)c2nc(-c3ccc(Cl)cc3Cl)cs2)cc1 1872745223 YIQLVQJRIKCLRC-ATJXCDBQSA-N 473.425 8.026 50 10 JKGE CSCC[C@@H](/C(O)=C(\C#N)c1nc(-c2ccccc2)cs1)N1C(=O)c2ccccc2C1=O 1872747699 QNAOKWHAASPLSL-HUZQBFDWSA-N 461.568 5.021 50 10 JKGE C[C@@H](c1ccccc1)N1C[C@@H](/C(O)=C(\C#N)c2nc(-c3ccc(Cl)c(Cl)c3)cs2)CC1=O 1872749016 XOTPCOYOBYHVKU-HOUAUGALSA-N 484.408 6.519 50 10 JKGE COc1cc(/C=C/C(O)=C(\C#N)c2nc(-c3ccc(F)c(C)c3)cs2)cc(OC)c1OC 1872749721 FGTLLVPALXCXTM-UQIPZTAISA-N 452.507 5.790 50 10 JKGE COc1c(Cl)cc(Cl)cc1-c1csc(/C(C#N)=C(\O)c2ccc(OCC(C)C)cc2)n1 1872754197 HYZZPIFDBHWNSM-UZYVYHOESA-N 475.397 7.110 50 10 JKGE COc1ccc(-c2csc(/C(C#N)=C(\O)c3ccccc3C(=O)c3ccccc3)n2)c2ccccc12 1872758557 GMPSYPYNPBFRSG-GNVQSUKOSA-N 488.568 7.153 50 10 JKGE CCCCCCCOc1ccc(-c2csc(/C(C#N)=C/c3cccc(Br)c3)n2)cc1 1872791788 SAMMPNMGKRJWPK-RCCKNPSSSA-N 481.459 7.986 50 10 JKGE O=C(N[C@@H](CCSCC1CC(Cl)C1)C(=O)O)OCC1c2ccccc2-c2ccccc21 1893513043 DHHREMDSZNWRMW-LGHDPPOTSA-N 459.995 5.119 50 10 JKGE Cc1cc([C@@H](Br)c2ccc(OCc3ccccc3)cc2Br)cs1 1899887049 XXYASNWGEDAAOK-LJQANCHMSA-N 452.211 6.882 50 10 JKGE Cc1cccc(C(=O)N(Cc2ccccc2)C[C@@H](C)Br)c1I 1914607922 MWEQUVJQOJZYCI-CQSZACIVSA-N 472.164 5.025 50 10 JKGE Brc1cc(Br)c([C@@H](Br)c2cccc3ccsc23)s1 1922892958 UNBRWZYAOZMWQY-NSHDSACASA-N 467.045 6.972 50 10 JKGE CCc1occ(C)c1[C@@H](Cl)c1c(Br)sc(Br)c1Br 1924568751 KYQZNEQRTGGQPB-SNVBAGLBSA-N 477.443 6.828 50 10 JKGE CC[C@@H](C)C[C@@H](Br)c1c(Br)sc(Br)c1Br 1924576167 KPXHZPTVPZWEDT-PHDIDXHHSA-N 483.889 6.908 50 10 JKGE Brc1sc(Br)c([C@H](Br)C[C@H]2CCOC2)c1Br 1924604347 AKYLNPGWFVZESK-PHDIDXHHSA-N 497.872 5.898 50 10 JKGE C[C@@H]([C@H](Cl)c1c(Br)sc(Br)c1Br)C(C)(C)C 1924605206 NWICVMAHVLSCNG-XNCJUZBTSA-N 453.465 6.998 50 10 JKGE CCC(C)(C)C[C@H](Cl)c1c(Br)sc(Br)c1Br 1924607901 AQLIKGVYZQSLCV-LURJTMIESA-N 453.465 7.142 50 10 JKGE Cc1cc(Br)sc1[C@H](Cl)c1cc(Br)c(Br)s1 1939447526 VLLKOMPMNPXXQH-MRVPVSSYSA-N 465.457 6.734 50 10 JKGE Clc1ccc(Cl)c([C@H](Br)c2csc(Br)c2Br)c1 1945190386 MFWFUHRTBVFVDP-VIFPVBQESA-N 479.846 7.064 50 10 JKGE ClCc1nc2cc(I)ccc2n1[C@H]1CC[C@@H]1OCc1ccccc1 1950410611 ZPPCQSCGOZSGHD-ROUUACIJSA-N 452.723 5.300 50 10 JKGE O=C(c1cc(Br)c(Cl)s1)N(Cc1ccccc1)[C@H](CBr)C1CC1 1981402257 URIFYWCKMKXYPQ-CQSZACIVSA-N 477.649 5.980 50 10 JKGE Cn1nc([C@@H](Cl)c2cc(Br)c(Br)s2)c(Br)c1Cl 2001990270 CDFUAAPNUVQAMI-LURJTMIESA-N 483.838 5.751 50 10 JKGE C[C@]12CO[C@]([C@H](Cl)c3c(Br)sc(Br)c3Br)(C1)C2 2025087591 HOHBVRWTPNSPBO-ONOSFVFSSA-N 465.432 5.885 50 10 JKGE Clc1cc([C@H](Cl)c2ccc(Br)cc2I)c(Cl)s1 2026222075 TUOQERVQCZGOAN-SNVBAGLBSA-N 482.395 6.750 50 10 JKGE C[C@H](c1cccs1)N(Cc1ccccc1)c1c(CBr)ccc(Br)c1Cl 2036849269 PZMHYJUCXQFKTQ-CQSZACIVSA-N 499.699 7.827 50 10 JKGE CCN(c1c(CBr)ccc(Br)c1Cl)[C@H]1CCN(Cc2ccccc2)C1 2036849848 SIHUUZKDFFUVRF-KRWDZBQOSA-N 486.679 6.098 50 10 JKGE CC[C@H](Br)CN(C(=O)c1cc(Br)sc1Br)C1CC1 2045278399 UONOQKJQNGHUDX-ZETCQYMHSA-N 460.029 5.051 50 10 JKGE Brc1cc([C@@H](Br)c2cc3ncccc3s2)sc1Br 2046391834 PKQOQPRVEKBBEM-LLVKDONJSA-N 468.033 6.367 50 10 JKGE CC1(C)CCC2(CC1)CC(O[C@@](C)(CI)CNC(=O)OC(C)(C)C)C2 2073142758 GTVNZBAQAHWWBU-IBGZPJMESA-N 465.416 5.470 50 10 JKGE CCc1cc(Br)c([C@@H](Br)c2c(F)cc(Br)cc2F)s1 2089708491 AGEFAFDFJMORFM-LBPRGKRZSA-N 474.990 6.598 50 10 JKGE O=C(N[C@@H](CCBr)C1CCCC1)c1csc(Br)c1Br 2093947466 XCNDYMYPVFWETC-JTQLQIEISA-N 474.056 5.347 50 10 JKGE Fc1cc(Oc2c(CBr)ccc(Br)c2Cl)ccc1Br 2098117830 QRCIHUMYVOCXGN-UHFFFAOYSA-N 473.361 6.691 50 10 JKGE Cc1c(Br)sc([C@H](Br)[C@@H]2CCn3ccnc3C2)c1Br 2108963364 UTBLPDWACCGJHR-LDYMZIIASA-N 469.040 5.477 50 10 JKGE Clc1ccc(Br)cc1CC[C@@H](Br)c1cccc(Br)c1 2113450515 UZXAJCONYKYPOI-CQSZACIVSA-N 467.426 6.934 50 10 JKGE FCCOc1ccc([C@@H](Br)c2cc(Br)sc2Br)cc1 2132968109 OJOWXOGKVJJULW-GFCCVEGCSA-N 472.999 6.106 50 10 JKGE CC1(C)[C@H]2CC[C@@H](C2)[C@@H]1[C@H](Br)c1ccc(Br)cc1Br 2138867471 RTPMTHDJRYBKNI-NBLIUIFLSA-N 451.040 6.720 50 10 JKGE Cc1c(Br)ccc([C@H](Br)C2CC3(CCCO3)C2)c1Br 2138872055 ITTNXALAAAQOQY-CIQACWJJSA-N 453.012 5.915 50 10 JKGE CCCC[C@@H](C)CC[C@H](Br)c1cc(Br)c(C)cc1Br 2142157165 HEOROCFVZMXSNO-RISCZKNCSA-N 455.072 7.563 50 10 JKGE COc1ccc([C@H](Br)c2cc(Cl)c(C)c(Br)c2)cc1Br 2167395374 JUMNTRNYZFFJDH-HNNXBMFYSA-N 483.425 6.666 50 10 JKGE Br[C@H](c1cc(I)sn1)c1c2c(cc3c1CCC3)CCC2 2193144105 UKVFFXSZOXCPLO-MRXNPFEDSA-N 460.178 5.209 50 10 JKGE Cc1cc(Br)c(C)c([C@H](Br)[C@H]2CCC[C@@H](C)CC2)c1Br 2201076479 YKTKYIBSAMJPGH-ANTHHZPCSA-N 467.083 7.481 50 10 JKGE COc1cc(Cl)c([C@@H](Br)c2ccc(C)c(Br)c2)cc1Br 2202352835 PJOSKYQXAQTVKP-HNNXBMFYSA-N 483.425 6.666 50 10 JKGE Brc1ccc([C@H](Br)[C@@H]2CC[C@@H]3CCCC[C@H]3C2)c(Br)c1 2203687114 PBXVXAIJEPAJJP-APNQJHFZSA-N 465.067 7.254 50 10 JKGE Fc1cscc1[C@@H](Br)c1c(Br)cc(Cl)c(Cl)c1Cl 2217608518 ORUBQPQIVBVUHS-SECBINFHSA-N 453.385 7.094 50 10 JKGE CCc1ccsc1[C@@H](Br)c1cc(Br)c(Br)cc1F 2218596526 GAWJCMQEABXZFC-LBPRGKRZSA-N 457.000 6.459 50 10 JKGE Cc1cc(Br)c([C@@H](Cl)c2sncc2Br)c(C)c1Br 2220153697 IYCSVUQMPQOSKD-LLVKDONJSA-N 474.443 6.376 50 10 JKGE Cc1ccc([C@@H](Cl)c2ccc(F)c(Br)c2F)cc1I 2224630176 SGGWZSSRFCKICH-CYBMUJFWSA-N 457.483 5.969 50 10 JKGE CCOc1ccc([C@@H](Br)c2scc(Br)c2C)cc1Br 2226123161 PHHJAVXTLWDODM-CYBMUJFWSA-N 469.036 6.465 50 10 JKGE Cc1sc([C@H](Br)c2c(F)cc(F)c(Br)c2F)cc1Br 2227804287 DFPPYUZHNQNVLD-NSHDSACASA-N 478.953 6.483 50 10 JKGE Cc1cc(Br)c([C@@H](Br)c2cc(Br)cc3c2OCC3)s1 2229326458 XAXQAUDORCYIBI-LBPRGKRZSA-N 467.020 6.001 50 10 JKGE Cc1ccc(I)c([C@H](Cl)c2cc(F)c(Br)cc2F)c1 2232224132 VXPSMNBIYAJGOJ-CQSZACIVSA-N 457.483 5.969 50 10 JKGE C[C@]1(C(F)(F)F)C[C@@H]1[C@@H](Br)c1c(Br)cc(Cl)c(Cl)c1Cl 2232509456 CXKRQFHLKKTMGQ-CPFXQGKDSA-N 475.357 7.434 50 10 JKGE Cc1cc(Br)c([C@@H](Br)[C@@H]2C[C@H]3CCC[C@H](C3)C2)cc1Br 2233651505 YBHNLHMSVQMWLW-ZBYUQBLASA-N 465.067 7.172 50 10 JKGE O=C(Nc1ccccc1CCBr)c1cc(Br)ccc1Br 2239252273 WYRCBWIMILLNTA-UHFFFAOYSA-N 461.979 5.401 50 10 JKGE CCCCCCCCCO[C@@H](CI)c1ccc(Br)cc1 2239551663 IMFSMSUTNZIJMH-KRWDZBQOSA-N 453.202 6.692 50 10 JKGE BrC[C@@H]1C[C@H]2CCCC[C@@H]2N1Cc1ccc(Br)cc1Br 2240680051 RLZOQHXGIXIFMH-WPGHFRTFSA-N 466.055 5.740 50 10 JKGE Cc1ccc([C@H](Cl)c2sc(C)c(C)c2Br)cc1I 2253504724 MNGSPTKYQPJKSY-ZDUSSCGKSA-N 455.586 6.369 50 10 JKGE Cc1c(Br)sc(C[C@H](Br)c2ccccc2Br)c1C 2254660871 KYDPRPIJVARCNL-LBPRGKRZSA-N 453.037 6.569 50 10 JKGE Fc1cc(Br)c(F)c(Br)c1[C@@H](Cl)c1ccc(Br)s1 2260074208 VRYARBDLGVNLBL-JTQLQIEISA-N 481.381 6.642 50 10 JKGE CCN(C[C@@](C)(CBr)OCc1cc(Br)ccc1Cl)C(=O)OC(C)(C)C 2263389215 KNWIROLMTRPIRZ-GOSISDBHSA-N 499.671 6.030 50 10 JKGE Cn1cc(Br)c([C@H](Br)c2cc3sc(Br)cc3s2)n1 2263633870 ZKWGRMVTVZBWBV-SNVBAGLBSA-N 471.037 5.706 50 10 JKGE COc1cc(Br)c(C)cc1[C@H](Br)c1scc(Br)c1Cl 2264609417 LCRPFCBVQOAYBO-NSHDSACASA-N 489.454 6.728 50 10 JKGE CC(C)C[C@H](C(C)C)[C@H](Br)Cc1cc(Br)cc(Br)c1 2277962956 OAXLWYOORRWEKK-HZPDHXFCSA-N 455.072 6.836 50 10 JKGE Cc1cc(Br)c([C@@H](Br)c2nn(C)c(Br)c2C)c(C)c1F 2279141201 GGHDOGFODYSBRP-LLVKDONJSA-N 468.990 5.494 50 10 JKGE CN(Cc1ccc(I)cc1)c1cc(Br)cc(F)c1CCl 2280338357 RVCZFONYOLSKNM-UHFFFAOYSA-N 468.535 5.568 50 10 JKGE O=C(Nc1ccc(Cl)cc1CBr)c1c(F)cccc1I 2282811467 RILRZBQHNFSCPA-UHFFFAOYSA-N 468.491 5.231 50 10 JKGE COc1ccc([C@@H](Br)c2cccc(F)c2Br)c(Br)c1Cl 2283564758 VEEKOKXYLYNDPZ-NSHDSACASA-N 487.388 6.497 50 10 JKGE COc1ccc([C@@H](Cl)c2cc(Br)ccc2OC)cc1I 2285009393 PBBLTCFAMGJLLO-OAHLLOKOSA-N 467.528 5.399 50 10 JKGE Fc1cc(Br)c(F)c(Br)c1[C@H](Br)[C@@H]1C[C@H]2C[C@H]1[C@H]1C[C@H]12 2288348441 FPIQSGNYJAGSLE-UMCLFIRUSA-N 470.977 6.218 50 10 JKGE COc1cc(C=C(C#N)C(=O)NCc2ccccc2)ccc1OC(=O)c1ccc(Cl)c(Cl)c1 2293190874 GYSKSMWNFYIAIX-UHFFFAOYSA-N 481.335 5.445 50 10 JKGE CS(=O)(=O)c1cscc1[C@@H](Br)c1cc2sc(Br)cc2s1 2295500533 JZOWLWKHGBDKAI-GFCCVEGCSA-N 472.270 5.675 50 10 JKGE Cc1ccc(NC(=O)C(C#N)=Cc2c(Oc3ccc(Cl)c(C)c3)nc3c(C)cccn3c2=O)cc1 2296720265 HAJPTYQQIAAYMC-UHFFFAOYSA-N 484.943 5.611 50 10 JKGE Cc1ccc(-n2c(SCC(=O)NN=CC=Cc3ccco3)nnc2-c2ccc(Cl)cc2)cc1 2297458527 BHMKBRLGVXJTRO-UHFFFAOYSA-N 477.977 5.397 50 10 JKGE N#CC(=CC1=C(N2CCOCC2)C(=Cc2ccccc2)CC1)C(=O)Nc1cccc(C(F)(F)F)c1 2297490837 CRSSXBGDMIKGBK-UHFFFAOYSA-N 479.502 5.558 50 10 JKGE C[C@@H]1COCC[C@@H]1[C@H](Br)c1cc(Br)ccc1OCc1ccccc1 2299494259 NGIUVXXUMROBHH-LIVBEALHSA-N 454.202 6.137 50 10 JKGE C[C@H](CC(F)(F)F)[C@H](Br)c1cc(Br)ccc1OCc1ccccc1 2299502808 ZVFNJAMKOQJPEC-PXAZEXFGSA-N 466.135 7.053 50 10 JKGE Brc1ccc(OCc2ccccc2)c([C@@H](Br)CC[C@H]2CCCO2)c1 2299534505 DQZUUPREFNRWMP-MJGOQNOKSA-N 454.202 6.423 50 10 JKGE CC[C@](C)(C(F)F)[C@H](Br)c1c(Br)sc(Br)c1Cl 2299838901 QGNNPNXTUSMUCK-LDWIPMOCSA-N 475.418 7.044 50 10 JKGE C[C@]1([C@H](Br)c2sc(Cl)cc2I)C[C@@H]1C(F)(F)F 2300952980 CXWWNZZOKJHQJH-NGESMGFYSA-N 459.496 6.031 50 10 JKGE BrCc1ccc(Oc2cc(Br)cc(I)c2)cn1 2301070306 BHFDYQPPZQGXEX-UHFFFAOYSA-N 468.914 5.136 50 10 JKGE COc1cc(C=C(C#N)C(=O)Nc2ccc(C)cc2)cc(Cl)c1OCc1ccc([N+](=O)[O-])cc1 2313568272 QXEDQNZWVHZPAK-UHFFFAOYSA-N 477.904 5.690 50 10 JKGE COc1cc(C=C(C#N)C(=O)Nc2cccc(Cl)c2Cl)c(Br)cc1OCC#N 2313570961 KEENRVBNZOMNDD-UHFFFAOYSA-N 481.133 5.213 50 10 JKGE COc1cc(C=C(C#N)C(=O)Nc2cccc(Cl)c2Cl)ccc1OCc1cccc(Cl)c1 2313631403 PTCQPYSBLONHAF-UHFFFAOYSA-N 487.770 6.780 50 10 JKGE Fc1cc(Cl)c(Br)c(Cl)c1[C@H](Br)c1ccsc1Br 2313826664 LPHXRHIXCFCQNJ-MRVPVSSYSA-N 497.836 7.203 50 10 JKGE Fc1ccc(Cl)c([C@H](Br)c2cc(Br)ccc2OCc2ccccc2)c1 2314448252 GJPIICCDXAAEEZ-FQEVSTJZSA-N 484.590 7.305 50 10 JKGE Brc1ccc(OCc2ccccc2)c([C@@H](Br)[C@@H]2CC23CCOCC3)c1 2314452158 KIVRODHTPBPSIG-AZUAARDMSA-N 466.213 6.281 50 10 JKGE N#CC(=Cc1ccc2noc(-c3ccc(Cl)cc3)c2c1)c1nc(-c2cccc([N+](=O)[O-])c2)cs1 2314571333 DUIATXQFRMAFRD-UHFFFAOYSA-N 484.924 7.244 50 10 JKGE COc1ccc(CCN2C(=O)C(=CNc3ccc(-c4ccccc4)cc3)C(C)=C(C#N)C2=O)cc1OC 2314579229 NHWUEUHCYULWEC-UHFFFAOYSA-N 493.563 5.118 50 10 JKGE Clc1cc(Cl)cc(C[C@H](Br)c2sc(Cl)cc2I)c1 2316771546 SMZFPXRQRJNYHW-VIFPVBQESA-N 496.422 6.992 50 10 JKGE COc1ccc(C=NNC(=O)CSc2nc(O)c3c(-c4ccc(C(C)C)cc4)csc3n2)cc1 2320487714 YWJYHGBELLUIKS-UHFFFAOYSA-N 492.626 5.438 50 10 JKGE COc1cc(C=C(C#N)c2ccc(Cl)cc2)ccc1OC(=O)c1ccc(C(F)(F)F)cc1 2320506294 GOGKBOZJTZTEEL-UHFFFAOYSA-N 457.835 6.651 50 10 JKGE CCN(CC)c1ccc(C=C2Oc3cc(OCc4ccc(CCl)cc4)cc(C)c3C2=O)cc1 2325342755 XXVHTYBHMRREEB-UHFFFAOYSA-N 461.989 6.775 50 10 JKGE COc1ccc(CC(O)=C(C#N)c2nc(-c3ccc(-c4ccccc4)cc3)cs2)c(OC)c1 2331231654 LPORWEDJRCJAMU-UHFFFAOYSA-N 454.551 6.530 50 10 JKGE CCOc1ccc(-c2csc(C(C#N)=C(O)CCCOc3cc(C)c(Cl)c(C)c3)n2)cc1 2331305619 ZDNUQUFEOORCHE-UHFFFAOYSA-N 469.006 7.131 50 10 JKGE N#CC(=C(O)c1cccc(Br)c1)c1nc(-c2cc(Cl)ccc2Cl)cs1 2331403992 QBDDRXJBJMXHTP-UHFFFAOYSA-N 452.160 6.829 50 10 JKGE COc1ccc(-c2csc(C(C#N)=Cc3cc(Br)c(O)c(OC)c3)n2)cc1C 2331430237 WXOQDEZZCKPBHT-UHFFFAOYSA-N 457.349 5.668 50 10 JKGE CCOc1cc(C=C(C#N)c2nc(-c3cc(C)ccc3OC)cs2)cc(Br)c1O 2331448795 BBDHQOCMUTWSEF-UHFFFAOYSA-N 471.376 6.058 50 10 JKGE CCOc1cc(C=C(C#N)c2nc(-c3ccc(F)c(F)c3)cs2)ccc1OCc1ccc(C)cc1 2331462695 FVINMXKFVAUDEJ-UHFFFAOYSA-N 488.559 7.439 50 10 JKGE CCOc1ccc(OCC)c(-c2csc(C(C#N)=Cc3cc4c(cc3[N+](=O)[O-])OCCO4)n2)c1 2331470828 OQEREXBSNBJPBZ-UHFFFAOYSA-N 479.514 5.351 50 10 JKGE Cc1cc(Br)c([C@@H](Br)[C@@H]2CC[C@H]2C(F)(F)F)cc1Br 2333450921 MWUZVGMTEAGYHU-GMEUVTARSA-N 464.945 6.545 50 10 JKGE COCC12CC([C@@H](Br)c3cc(Br)ccc3OCc3ccccc3)(CO1)C2 2336043221 ZTMIQIJPIKHZGX-MWXLCCTBSA-N 482.212 5.660 50 10 JKGE Brc1cc(OCc2ccccc2)ccc1[C@H](Br)C[C@H]1CCCCC12CC2 2336073152 SMBATPWDHSGRER-WIYYLYMNSA-N 478.268 7.825 50 10 JKGE Fc1c(Br)cc(Cl)c([C@H](Br)[C@H]2CCC[C@@H]3C[C@H]23)c1Br 2337094226 MXQCHWLWONHYDL-MOEZTCPLSA-N 475.421 6.876 50 10 JKGE Fc1c(Br)cc(Cl)c([C@@H](Br)[C@@H]2CCC3(CC3)C2)c1Br 2337094617 RBNGKVZPHUTBRS-HQJQHLMTSA-N 475.421 7.020 50 10 JKGE Cc1cc(Br)c(F)c(Br)c1[C@@H](Br)CC[C@H]1CC1(C)C 2339682181 PQNRIKOTDLCIEM-UWVGGRQHSA-N 457.019 6.921 50 10 JKGE BrCC1(COCc2c(Br)cccc2Br)CCCCC1 2340600166 LEUMWWMELWBJSX-UHFFFAOYSA-N 455.028 6.074 50 10 JKGE Fc1cc(Cl)c(Br)c(Cl)c1[C@@H](Br)CC(F)(F)C(F)(F)F 2360400101 HOXULTKTJWATJS-VKHMYHEASA-N 468.844 6.919 50 10 JKGE COC[C@]1([C@@H](Br)c2c(Cl)cc(Br)c(F)c2Br)CCCO1 2362225556 QMRBMJDEZLMYFB-STQMWFEESA-N 495.408 5.636 50 10 JKGE Fc1c(Br)cc(Cl)c([C@@H](Cl)Cc2ccc(Cl)cc2)c1Br 2362238163 HVIXPHOMDFZQPU-JTQLQIEISA-N 461.383 7.180 50 10 JKGE Fc1cccc(C[C@@H](CBr)Cc2ccc(Cl)c(I)c2)c1 2362374584 AICFUOKOIQBJCJ-CYBMUJFWSA-N 467.547 5.880 50 10 JKGE C[C@@H]1CCCC[C@]12[C@@H](Cl)C[C@@H]2Oc1cc(Br)cc(I)c1 2364108608 ZCLMQNBMDQEPPP-GCUJQHFUSA-N 469.588 6.009 50 10 JKGE Clc1cc(I)c([C@H](Br)[C@@H]2[C@@H]3CCc4ccccc4[C@H]32)s1 2364122115 MDCSOYCCVOIXTG-JUDXGUMMSA-N 479.608 6.418 50 10 JKGE CCOc1ccc(Br)cc1[C@H](Cl)c1c(Br)c(Br)nn1C 2364229035 UVWUCEKTDIBFTJ-NSHDSACASA-N 487.417 5.435 50 10 JKGE COc1cc(Cl)c([C@@H](Br)c2cc(OC)c(Cl)s2)cc1Br 2365838911 UMBSBFSZUZZDSP-GFCCVEGCSA-N 461.002 6.319 50 10 JKGE CN(CC[C@H](Br)c1cccs1)Cc1ccc(Br)cc1Br 2365968792 GNIBFHAERSFFES-ZDUSSCGKSA-N 482.079 6.231 50 10 JKGE CN(Cc1c(Br)cccc1Br)c1cc(Cl)ccc1CBr 2366159927 DZQJGWFVQQWGBJ-UHFFFAOYSA-N 482.441 6.396 50 10 JKGE Cc1cc(OCc2ccc(Cl)cc2I)cc(C)c1CBr 2366706657 JNLQYSSLHHDVHV-UHFFFAOYSA-N 465.556 6.035 50 10 JKGE O=C(c1scc(Br)c1Br)N1CCC[C@H](Br)[C@H]1C(F)(F)F 2370246034 AHCNUIVBJYWIKE-CDUCUWFYSA-N 499.972 5.204 50 10 JKGE Cc1cc(Br)c(C(C)C)cc1[C@@H](Br)c1cc(Br)n(C)n1 2380950840 AIEMVLQUUOHUBV-OAHLLOKOSA-N 465.027 5.861 50 10 JKGE CC(C)Oc1ccc(C(=O)NNC(=O)c2ccc(NC(=O)c3ccc(C(C)(C)C)cc3)cc2)cc1 14038845 NJROPEJFFOOGRO-UHFFFAOYSA-N 473.573 5.098 50 10 JKGE N#C/C(=C/c1ccc(N2N=C(c3ccccc3)C[C@H]2c2ccccc2)cc1)C(=O)Nc1ccccc1 33568740 ZLEXXQNVLOUFBF-GDZDTEGPSA-N 468.560 6.588 50 10 JKGE N#C/C(=C/c1cc(Cl)cc(Cl)c1OCc1ccccc1Cl)C(=O)NCc1ccccc1 33827418 FZQWZXKYMLXJEV-GRSHGNNSSA-N 471.771 6.449 50 10 JKGE Cc1cccc(NC(=O)/C(C#N)=C2/S[C@@H](Cc3ccccc3Cl)C(=O)N2c2ccccc2C)c1 33914469 SYNUGUMXLWAXII-XYZDCVNTSA-N 488.012 6.022 50 10 JKGE N#C/C(=C/c1ccc(OCc2ccc(Br)cc2)cc1)C(=O)Nc1ccc2ccccc2c1 33927871 OAVQNGVFIUXZOB-HAHDFKILSA-N 483.365 6.727 50 10 JKGE C=CCN(C(=O)OC(C)(C)C)c1cc2c(c3ccccc13)[C@H](CCl)CN2C(=O)OC(C)(C)C 36418993 VXSWABMVWUAOBI-QGZVFWFLSA-N 473.013 6.845 50 10 JKGE CCCCCN1C(=O)C(C#N)=C(C)/C(=C\c2ccc(OCc3ccccc3Cl)c(OCC)c2)C1=O 38603977 FXBLBHIRYOXHQZ-PXLXIMEGSA-N 493.003 6.100 50 10 JKGE CCCOc1cccc(C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@@H]3c2ccc(C(C)(C)C)cc2)c1 38649836 CCOMJFMZEOWGGO-HHHXNRCGSA-N 482.580 6.210 50 10 JKGE COc1ccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)C(c4ccccc4)c4ccccc4)ccc32)cc1 38650414 UFYGKIYDQHTAEZ-LJAQVGFWSA-N 488.543 5.651 50 10 JKGE CCCCOc1cccc(C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@@H]3c2ccc([N+](=O)[O-])cc2)c1 38654921 UUQSXGRZFWYPTK-RUZDIDTESA-N 485.496 5.211 50 10 JKGE N#CC1=C(N)Oc2cc(OC(=O)c3ccco3)ccc2[C@H]1c1cccc(Oc2ccccc2)c1 38660835 UWZPGKCBDOJXMT-RUZDIDTESA-N 450.450 5.509 50 10 JKGE CCCOc1ccc(C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@@H]3c2ccc(OCC)cc2)cc1 38685822 MVQULIVOLHVCLQ-AREMUKBSSA-N 470.525 5.311 50 10 JKGE CCc1ccc(Oc2nc3c(C)cccn3c(=O)c2/C=C(\C#N)C(=O)Nc2cc(C)ccc2C)cc1 39992927 IOTRVPHOWZRLNR-CJLVFECKSA-N 478.552 5.520 50 10 JKGE O=C(N/N=C(/CSc1nc2ccccc2s1)c1ccc(-c2ccccc2)cc1)c1ccccc1 59460615 KJGNRIJLYYBIPZ-JVCXMKTPSA-N 479.630 6.890 50 10 JKGE C=CCOc1c(Cl)cc(/C=N/NC(=O)c2cc3cc(Br)ccc3o2)cc1OCC 59679831 JVFOEUTZQAPPES-WYMPLXKRSA-N 477.742 5.576 50 10 JKGE Fc1ccc(Br)cc1C[C@@H](CBr)Cc1ccc(Br)cc1 97183177 BELAVNWUURHYSV-LBPRGKRZSA-N 464.998 6.147 50 10 JKGE C[C@@H](c1ccc(Cl)s1)n1c(CCl)nc2cc(I)c(F)cc21 97408818 ZTTRQEBMLUBIIH-ZETCQYMHSA-N 455.123 5.843 50 10 JKGE CCCOc1ccc([C@H](C(=O)NC2CCCCCC2)N(Cc2ccco2)C(=O)CCl)cc1OC 97914977 DRDRFBBRJPVZTM-RUZDIDTESA-N 491.028 5.225 50 10 JKGE CCc1ccc(N2C(=O)[C@@H](Cc3ccc(C(C)C)cc3)S/C2=C(/C#N)C(=O)Nc2ccccc2)cc1 101244351 OFLFIVCCSIWGCQ-VOEFLUBFSA-N 495.648 6.437 50 10 JKGE COc1cc(/C=C2/C(=O)N(CC(C)C)C(=O)C(C#N)=C2C)ccc1OCc1ccc(Cl)cc1Cl 101334887 QOIBULMWHOGHBQ-AWQFTUOYSA-N 499.394 5.829 50 10 JKGE Clc1cccc(Cl)c1[C@@H](Br)c1cc(Br)sc1Br 109870009 VHIDEMDNKKWACQ-JTQLQIEISA-N 479.846 7.064 50 10 JKGE Clc1ccc([C@@H](Br)c2csc(I)c2)c2ccccc12 124447453 BRWCTHNVRVMIRR-HNNXBMFYSA-N 463.565 6.644 50 10 JKGE Cc1cc(Br)c([C@@H](Cl)c2cc(F)cc(Br)c2)cc1Br 128723336 RIAWMHACKDNSNP-AWEZNQCLSA-N 471.389 6.750 50 10 JKGE Fc1ccc(CC(CBr)(CBr)c2ccc(Br)cc2)cc1F 149987263 MXMPKNTURIZZSH-UHFFFAOYSA-N 482.988 5.998 50 10 JKGE O=[N+]([O-])c1ccccc1C[C@H](Br)c1cc(Br)ccc1Br 161183091 JVSHXINGSSJSPC-ZDUSSCGKSA-N 463.951 5.799 50 10 JKGE C[C@](CBr)(OCc1ccccc1Br)c1ccccc1Br 162559648 CMTRKTUEGMMDHU-MRXNPFEDSA-N 463.007 6.039 50 10 JKGE Fc1cc(Br)cc([C@@H](Br)c2csc3c(Br)cccc23)c1 163528838 NRSZISWHKOVYIT-CQSZACIVSA-N 479.006 7.050 50 10 JKGE CCOc1cc(/C=N\NC(=O)Cc2ccccc2)ccc1OCc1ccc(Cl)cc1Cl 169900854 QRBMTCIRRVXMEE-DICXZTSXSA-N 457.357 5.664 50 10 JKGE Cc1ccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)/C=C\c4ccc(C(C)(C)C)cc4)ccc32)o1 205649105 DHYFOJVEQLLRDI-ZUBRFGIQSA-N 454.526 5.723 50 10 JKGE CC1=C(C#N)C(=O)N([C@@H](C)c2ccccc2)C(=O)/C1=C\c1ccc(OCc2ccc(C)cc2)cc1 214343960 LPULYSUPCQWILY-NWUVQHAMSA-N 462.549 5.928 50 10 JKGE CC[C@H](NC(=O)/C(C#N)=C\Nc1ccc(Cl)c(C(F)(F)F)c1)c1ccc2c(c1)CCCC2 217189932 KLMJEEDEYHFEBC-JIDPPIHHSA-N 461.915 6.324 50 10 JKGE C[C@H](Br)c1ccccc1NC(=O)c1ccc(Br)cc1Br 235412324 WCHAOJPGELCSFL-VIFPVBQESA-N 461.979 5.920 50 10 JKGE Cc1cc(F)cc(C)c1[C@@H](Br)c1cc(Br)cc(Br)c1 235760221 YWGCNXLHOWNTER-HNNXBMFYSA-N 450.971 6.452 50 10 JKGE Cc1cccnc1C[C@@H](Br)c1cc(Br)ccc1I 235805898 CXWSFDIISDUHHY-GFCCVEGCSA-N 480.969 5.436 50 10 JKGE CCCCCOc1ccc(C=NNC(=O)COc2ccc3ccccc3c2Br)cc1 252614227 JHKCHPLJFHSBAF-UHFFFAOYSA-N 469.379 5.700 50 10 JKGE CC(=NNC(=O)c1ccoc1C)c1cccc(NC(=O)[C@H](C)Oc2ccc(Cl)cc2C)c1 254713367 BRTGKNIVVRXRIO-KRWDZBQOSA-N 453.926 5.110 50 10 JKGE CCCCCCCCCC(=O)NCC(=O)NN=Cc1cn(-c2ccccc2)nc1-c1ccc(C)cc1 263627252 OESPSFXABUKKSD-UHFFFAOYSA-N 487.648 5.555 50 10 JKGE CCCC[C@@H](CC)CO[C@](C)(CI)CN(CC)C(=O)OC(C)(C)C 303741925 VWGIMMXQFAAPAA-VQIMIIECSA-N 455.421 5.670 50 10 JKGE C[C@H](Cl)c1nc2cc(I)ccc2n1CCCN(C)Cc1ccccc1 305088793 MAIBUOJJQQYYAG-HNNXBMFYSA-N 467.782 5.463 50 10 JKGE Cc1ccc([C@H](Br)c2cc3c(cc2Br)OCC3)cc1Br 308417939 QNULWWUFEMBFSD-INIZCTEOSA-N 460.991 5.939 50 10 JKGE Clc1ccc(COc2c(Br)cc(Br)cc2CBr)s1 385914178 IMKZKCORGVKBNL-UHFFFAOYSA-N 475.427 6.400 50 10 JKGE C[C@H]1CCC[C@H](COc2c(Br)cc(Br)cc2CBr)C1 388683254 FEFCGBAVJLRCAH-QWRGUYRKSA-N 455.028 6.312 50 10 JKGE C[C@@H](Cl)c1nc2cc(I)c(F)cc2n1C[C@@H](C)N(C)Cc1ccccc1 390587740 RINPJNXUGNONOR-ZIAGYGMSSA-N 485.772 5.600 50 10 JKGE COc1cc([C@H](Br)c2nscc2Br)c(OC)cc1Br 404760442 BSXGUPHOFWPCJC-NSHDSACASA-N 471.996 5.170 50 10 JKGE Cc1oc(Br)cc1[C@@H](Br)c1cc(Cl)c(Cl)c(Cl)c1Cl 404920520 HZZNFPCNYZLTEP-SECBINFHSA-N 467.799 7.448 50 10 JKGE COCc1cc(Br)c([C@@H](Br)c2ccc(C)cc2Br)s1 688144920 MEIQRZWXKRVYLH-ZDUSSCGKSA-N 469.036 6.212 50 10 JKGE Cn1ncc(Br)c1[C@@H](Br)c1cc(Br)c(Br)s1 693046214 GSAFDNVGPFMLHJ-ZETCQYMHSA-N 493.844 5.253 50 10 JKGE COc1ccc(F)cc1[C@H](Br)c1scc(Br)c1Br 705429539 XPGKWYDQBRTOSF-JTQLQIEISA-N 458.972 5.905 50 10 JKGE Cc1sc([C@H](Cl)c2scc(Br)c2Br)cc1Br 707816931 OUOGDSVDTMEDJT-VIFPVBQESA-N 465.457 6.734 50 10 JKGE FC(F)(F)c1cc(Cl)ccc1[C@H](Cl)c1cc(Br)sc1Br 712620158 NGGGNLFKKQAIJM-JTQLQIEISA-N 468.947 7.274 50 10 JKGE CCOc1ccc(C)cc1[C@H](Cl)c1ccc(I)c(Br)c1 721574151 VAGHNXFPQUCNPS-MRXNPFEDSA-N 465.556 6.089 50 10 JKGE COCc1cc(C)nc2sc(C(=O)NN=Cc3ccc(Cl)c(Cl)c3)c(-n3cccc3)c12 725409764 FMYBHNYQVOTEQQ-UHFFFAOYSA-N 473.385 5.613 50 10 JKGE O=C(NN=Cc1cc(Br)cc([N+](=O)[O-])c1O)c1cc(-c2ccccc2)nc2ccccc12 1081168793 ZURISJBLALUKFB-UHFFFAOYSA-N 491.301 5.042 50 10 JKGE CCOc1cc(/C=C(/C#N)C(=O)Nc2ccccc2)cc(Cl)c1OCc1ccccc1F 1084311966 NSNFBKFVXOMOTI-UNOMPAQXSA-N 450.897 6.002 50 10 JKGE Cc1cc(C)cc(-n2c(C)c(Br)c(C=NNC(=O)CSc3ccccc3)c2C)c1 1084434836 LBUBWCKFDMAHJL-UHFFFAOYSA-N 470.436 5.716 50 10 JKGE N#CC1=NN(c2ccc(Cl)cc2)[C@H](c2ccccc2)C2=C1OC(N)=C(C#N)[C@H]2c1ccc(Cl)cc1 1088681099 MQLXYWGLAQYKTG-ILBGXUMGSA-N 498.373 6.196 50 10 JKGE Cc1c(C(=O)Nc2ccccc2C(F)(F)F)oc2c1C(=NNC(=O)c1ccc(F)cc1)CCC2 1772745040 PLPBNGAHZCRKLE-UHFFFAOYSA-N 473.426 5.469 50 10 JKGE Cc1cc(C)c(NC(=O)[C@@H](C)Oc2cccnc2NC(=O)Oc2ccc([N+](=O)[O-])cc2F)c(C)c1 1858686586 ASFTXCAXXSRVQZ-MRXNPFEDSA-N 482.468 5.071 50 10 JKGE N#CC1=C(N)Oc2c(c(C(F)(F)F)nn2-c2ccccc2Cl)[C@@H]1c1cccc(Br)c1 1865684611 TVWBIRNHLLHNBN-OAHLLOKOSA-N 495.686 5.525 50 10 JKGE CCCc1nn(-c2cccc3ccccc23)c2c1[C@@H](c1c(OC)ccc3ccccc13)C(C#N)=C(N)O2 1865688572 VJQCVSGEIPGYRA-MUUNZHRXSA-N 486.575 6.358 50 10 JKGE N#CC1=C(N)Oc2c(c(-c3ccccc3)nn2Cc2ccccc2Cl)[C@@H]1c1cc(Cl)ccc1O 1865689092 JRWLLDMFASBEMV-JOCHJYFZSA-N 489.362 5.829 50 10 JKGE CCCCOc1ccc([C@H]2C(C#N)=C(N)Oc3c2c(CC)nn3-c2cccc3ccccc23)cc1 1865689675 CGIWLJXVNVTSFQ-SANMLTNESA-N 464.569 5.985 50 10 JKGE CCCCOc1ccc([C@H]2C(C#N)=C(N)Oc3c2c(-c2ccc(OC)cc2)nn3-c2ccccc2)cc1 1865690299 NTASKPYWXJXFRX-SANMLTNESA-N 492.579 5.945 50 10 JKGE CCCCCCOc1ccc([C@@H]2C(C#N)=C(N)Oc3c2c(CC)nn3-c2ccccc2)cc1OC 1865697100 XEUNTKVVSZTHNT-RUZDIDTESA-N 472.589 5.621 50 10 JKGE N#CC1=C(N)Oc2c(c(-c3ccccc3)nn2Cc2cccc(F)c2)[C@@H]1c1ccc(F)cc1F 1865702286 RSUMIZMAICBJBH-JOCHJYFZSA-N 458.443 5.234 50 10 JKGE Cc1ccc(-c2ccc(C(=O)NNC(=O)/C=C/c3cccc(OCc4ccccc4)c3)c(C)n2)cc1C 1865756431 YNFLRLYVZKMXDS-GHRIWEEISA-N 491.591 5.727 50 10 JKGE COc1cc(NC(=O)c2ccccc2)c(OC)cc1NC(=O)/C(C#N)=C/c1ccc(Cl)cc1 1866128349 LTJKHRXEEFRCOK-LDADJPATSA-N 461.905 5.155 50 10 JKGE CC[C@H](NC(=O)Cc1nc(-c2ccc(C(C)(C)C)cc2)oc1C)C(=O)Nc1ccc(SC#N)cc1 1866680003 FUASERUVTXRKJP-QFIPXVFZSA-N 490.629 5.597 50 10 JKGE N#C/C(=C(/O)CN1C(=O)COc2ccc(Cl)cc21)c1nc(-c2ccc3c(c2)CCCC3)cs1 1872745096 BFPSUFYOWLDSBF-QOCHGBHMSA-N 477.973 5.561 50 10 JKGE CS(=O)(=O)Nc1ccc(/C(O)=C(\C#N)c2nc(-c3ccc(Cl)c(Cl)c3)cs2)cc1 1872748696 JHNVGZUTVUVTAV-JXAWBTAJSA-N 466.371 5.438 50 10 JKGE COc1cc(Cl)c(C)cc1-c1csc(/C(C#N)=C(\O)c2ccc(Cl)c([N+](=O)[O-])c2)n1 1872757288 YRNQEFIVTOUKDG-UYRXBGFRSA-N 462.314 6.292 50 10 JKGE Brc1ccc(OCc2ccccc2)c([C@H](Br)C2(Br)CC2)c1 1886847121 OMZVIKIJIVXATL-INIZCTEOSA-N 475.018 6.392 50 10 JKGE C[C@H](Cl)c1nc2c(Br)cc(F)cc2n1[C@H]1C[C@@H](C)N(Cc2ccccc2)C1 1912674549 PKDFKGGABJFGEH-KEYYUXOJSA-N 450.783 6.073 50 10 JKGE C[C@@H](Br)CN(Cc1ccccc1)C(=O)c1cc(C(F)(F)F)ccc1Br 1914631529 DHRIUCZKPYBDLK-GFCCVEGCSA-N 479.134 5.894 50 10 JKGE C[C@@H](CCCl)N(Cc1ccccc1)S(=O)(=O)c1c(Cl)cccc1Br 1915069374 JTSWONLEVFOHRZ-ZDUSSCGKSA-N 451.213 5.311 50 10 JKGE CC(C)[C@H](CCl)N(Cc1ccccc1)c1ncc(C(F)(F)F)cc1I 1915283528 CAJNRALMZHEGOD-INIZCTEOSA-N 482.715 5.975 50 10 JKGE Cc1c(Br)sc([C@H](Br)CC(C2CC2)C2CC2)c1Br 1922895291 TWGULMVNTJFVKL-LLVKDONJSA-N 457.069 6.844 50 10 JKGE Clc1c(Br)sc(Br)c1[C@H](Br)[C@@H]1[C@H]2[C@H]3CC[C@@H](C3)[C@H]21 1923037794 FSXPPIFQSGKPDZ-BYEPEJCYSA-N 475.471 6.655 50 10 JKGE Clc1c(Br)sc(Br)c1[C@H](Br)C1[C@H]2CCCC[C@H]12 1923073601 YIUQGTYVZPJRSZ-ATVXKPNKSA-N 463.460 6.799 50 10 JKGE Fc1cccc([C@@H](Br)Cc2ccncc2Br)c1I 1924016999 QWLFAWUMROQQCS-JTQLQIEISA-N 484.932 5.267 50 10 JKGE Brc1cc(Br)cc([C@H](Br)Cc2ccncc2Br)c1 1924050904 DLVRUMRYYOEVPE-GFCCVEGCSA-N 498.838 6.048 50 10 JKGE Cl[C@@H](c1c(Br)sc(Br)c1Br)[C@@H]1CCCC12CC2 1924614134 WQYVFUUFPWYARM-IMTBSYHQSA-N 463.460 6.896 50 10 JKGE Cn1cc([C@H](Br)c2c(Cl)sc(Br)c2Cl)nc1Br 1925623813 VOUIYHBERPUDIW-YFKPBYRVSA-N 483.838 5.798 50 10 JKGE CC(C)[C@@H]1C[C@@H]1[C@@H](Cl)c1c(Br)sc(Br)c1Br 1992943312 ARFRMYQKLZVOKD-ATVXKPNKSA-N 451.449 6.608 50 10 JKGE Cc1cc(Cl)c(Br)cc1[C@H](Br)c1sccc1Br 2023698158 NVGWRVCLPWDKFU-NSHDSACASA-N 459.428 6.719 50 10 JKGE N#CC(=Cc1cc(Br)ccc1OCc1ccccc1)S(=O)(=O)c1ccc(F)cc1 2053621406 GYKUZYXAFSNPLO-UHFFFAOYSA-N 472.335 5.506 50 10 JKGE Fc1cc(Br)c([C@H](Br)c2cc(Br)sn2)c(F)c1F 2056495622 GFYDIQQJMRHGAS-MRVPVSSYSA-N 465.914 5.570 50 10 JKGE BrC[C@]1(Cc2c(Br)cccc2Br)CCO[C@@H]1C1CC1 2094095339 LDYCVDLVQDAWOX-HUUCEWRRSA-N 453.012 5.334 50 10 JKGE Clc1ccc(I)c(CN2CC3(CCC3)C[C@@H]2CBr)c1 2095169312 XLQSBNSBTDXZBV-CYBMUJFWSA-N 454.577 5.084 50 10 JKGE CC(C)(CBr)[C@H]1CCCN1C(=O)c1scc(Br)c1Br 2099637962 QIADKZWCAASTFK-SECBINFHSA-N 474.056 5.299 50 10 JKGE COc1sc([C@H](Br)c2cc(Cl)c(C)c(Br)c2)cc1Br 2111087589 VZFHMLHTEZBDAO-GFCCVEGCSA-N 489.454 6.728 50 10 JKGE CC1(C)C[C@@](C)(CBr)CN1Cc1cc(Cl)ccc1I 2134831106 NPMWZNZEWNUSGQ-HNNXBMFYSA-N 456.593 5.330 50 10 JKGE CO[C@@H]1C[C@H]([C@H](Br)c2ccc(Br)cc2Br)C12CCC2 2138876465 PQJAPLWBYARGFD-MRVWCRGKSA-N 453.012 5.853 50 10 JKGE FC1(F)CC12CC([C@@H](Br)c1cc(I)cc3c1OCC3)C2 2154301219 SDYKHFJWWJUKPO-VTGPFMDVSA-N 455.080 5.098 50 10 JKGE CC(C)(CBr)[C@H]1CCCN1C(=O)c1ccc(Br)cc1Br 2155823435 HYLMEUSDQPKRJA-CYBMUJFWSA-N 468.027 5.237 50 10 JKGE CC(C)(C)OC(=O)N[C@H]1CCN(CC2(CBr)CCCCCC2)CCC1(F)F 2163059942 XSQVYQJIJFFUNQ-INIZCTEOSA-N 453.412 5.346 50 10 JKGE O=[N+]([O-])c1sc(CBr)cc1N1CC[C@]2(CCCN(Cc3ccccc3)C2)C1 2163317847 MMTRHVFFXIGMLM-FQEVSTJZSA-N 450.402 5.044 50 10 JKGE O=C(NC[C@]1(F)CC[C@@H](CBr)CC1)c1scc(Br)c1Br 2178579523 NSNAYVABFZIVDZ-KTLJEJPDSA-N 492.046 5.296 50 10 JKGE COc1cc(F)c([C@H](Br)c2c(Br)sc(C)c2C)cc1Br 2202903652 HLPZZVFXPMFABA-ZDUSSCGKSA-N 487.026 6.522 50 10 JKGE Cl[C@@H]1CN(C2CC2)C[C@H]1c1sc(Br)c(Br)c1Br 2216421066 PNBWJYGSJBTTKD-RNFRBKRXSA-N 464.448 5.205 50 10 JKGE Cc1c(Br)csc1[C@@H](Br)c1cc(Br)c(Cl)cc1F 2219006394 RWDREFOGVFOPDC-NSHDSACASA-N 477.418 6.858 50 10 JKGE FC(F)(F)C(F)(F)[C@H](Br)c1c(Br)cc(Cl)c(Cl)c1Cl 2224302684 OAPNGNGFNHTYJS-SSDOTTSWSA-N 471.272 7.043 50 10 JKGE Cc1ccc([C@H](Cl)c2cc(Cl)c(Br)cc2F)cc1I 2224622394 QNFNOFHSKNSKKV-AWEZNQCLSA-N 473.938 6.483 50 10 JKGE CCCC1CC([C@H](Br)c2c(Br)cc(C)c(Br)c2C)C1 2227346145 BYRSBYVRUCFRSJ-PPUFBPAQSA-N 453.056 7.091 50 10 JKGE Clc1cc(Br)c([C@H](Br)[C@H]2CC23CCCCC3)c(Cl)c1Cl 2232529869 ZFEXGSPLNJUKGL-PRHODGIISA-N 461.452 7.816 50 10 JKGE C[C@@]1(n2c(CCCl)nc3c(F)cc(Br)cc32)CCN(Cc2ccccc2)C1 2232924798 XKYYCVDAOJKQLG-OAQYLSRUSA-N 450.783 5.340 50 10 JKGE Cc1cc(Br)c([C@H](Br)[C@@H]2OC[C@H]3CCCC[C@@H]32)cc1Br 2233190180 RZVAPGRTJDLXGO-LZJQFABFSA-N 467.039 6.161 50 10 JKGE Cc1sc([C@H](Br)c2ccc3c(c2Br)CCO3)c(C)c1Br 2238076097 HNIKTMTYKJCAIR-CQSZACIVSA-N 481.047 6.309 50 10 JKGE Cc1ccc(I)c([C@H](Br)c2ccc(-c3cccs3)s2)c1 2240996693 LDEKAKWYJHMMOL-INIZCTEOSA-N 475.214 6.874 50 10 JKGE CCc1cc([C@@H](Cl)c2csc(Br)c2Br)sc1Br 2248003096 ONGHEOCIGNLEQA-VIFPVBQESA-N 479.484 6.988 50 10 JKGE Cc1cc(Cl)c(Cl)cc1[C@@H](Br)c1scc(Br)c1Br 2253407828 DLKVQJUPWXEKOD-SNVBAGLBSA-N 493.873 7.373 50 10 JKGE CCn1cc(Br)c([C@@H](Br)c2sc(C)c(C)c2Br)n1 2253467841 LGQKRHKUAPAPTH-SNVBAGLBSA-N 457.029 5.591 50 10 JKGE Fc1cccc(I)c1[C@H](Br)Cc1ncccc1Br 2255957561 QVBBZKSLFQYVPK-SECBINFHSA-N 484.932 5.267 50 10 JKGE CCc1cc([C@@H](Cl)c2cc(Cl)ccc2I)sc1Br 2256055827 JOMWVTSAVIBPCM-LBPRGKRZSA-N 476.004 6.659 50 10 JKGE Fc1cc(Br)c(F)c(Br)c1[C@H](Br)c1ccc(Cl)o1 2259999736 UCQUQBZLCHWJAG-SECBINFHSA-N 465.313 6.221 50 10 JKGE COc1cc(Cl)c(Cl)cc1[C@@H](Br)c1ccc(I)cc1 2264367606 XQZFOJPAHRUBCH-AWEZNQCLSA-N 471.947 6.091 50 10 JKGE Fc1cc(Cl)c([C@@H](Cl)c2ccc(Br)cc2Br)cc1Br 2270460164 AGPWNGOSFAWHLM-ZDUSSCGKSA-N 491.807 7.095 50 10 JKGE COc1csc([C@@H](Br)c2c(F)cc(Br)c(F)c2Br)c1 2272850689 YADJZQHSZZGWRL-SNVBAGLBSA-N 476.962 6.044 50 10 JKGE CN(Cc1ccccc1I)c1c(CBr)ccc(F)c1F 2280258051 PZJJTSPOZANFRP-UHFFFAOYSA-N 452.080 5.101 50 10 JKGE FC1(F)C[C@](CBr)(Cc2cccc(Br)c2Br)C12CCC2 2280873040 KVXYQPOYLMPZKS-ZDUSSCGKSA-N 472.993 6.345 50 10 JKGE Brc1cc(Br)cc(C[C@H](Br)[C@]23CCCC[C@@H]2OCC3)c1 2295342868 QIZLPSHSXGQINV-HRCADAONSA-N 467.039 5.867 50 10 JKGE COc1ccc(-c2csc(C(C#N)=Cc3cccc(I)c3)n2)cc1OC 2295894371 WVKAEIGIFGEKHE-UHFFFAOYSA-N 474.323 5.496 50 10 JKGE CCOc1ccc(-c2nn(-c3ccccc3)cc2C=C(C#N)C(=O)NC2CCCCC2)cc1C 2296729429 JPAYEIPAJGCJLE-UHFFFAOYSA-N 454.574 5.602 50 10 JKGE N#CC(=Cc1ccc(OCC(=O)Nc2cc(Cl)c(Cl)cc2Cl)cc1)c1nc2ccccc2[nH]1 2297560754 JZHZRUBPRWEHPS-UHFFFAOYSA-N 497.769 6.605 50 10 JKGE CC[C@H]([C@H](Br)c1cc(Br)ccc1OCc1ccccc1)C(C)(F)F 2299489136 MTUFHJKFRMVRDT-SJLPKXTDSA-N 462.172 7.146 50 10 JKGE Cc1sc(Br)c([C@H](Cl)c2sc(Cl)cc2I)c1C 2301088740 LHVCZRKFIUBPQR-VIFPVBQESA-N 482.033 6.775 50 10 JKGE Fc1cc(Cl)cc([C@H](Br)c2sc(Cl)cc2I)c1 2301089479 SPWNTQXYMIKMFL-JTQLQIEISA-N 465.940 6.283 50 10 JKGE C#CCOc1ccc(C=C(C#N)C(=O)Nc2cccc(Cl)c2Cl)cc1Br 2313570797 GMXXNHUXSHFWEB-UHFFFAOYSA-N 450.119 5.314 50 10 JKGE CCCCOc1cccc(-c2nn(-c3ccccc3)cc2C=C(C#N)C(=O)NCc2ccco2)c1 2314477019 ZWPPMILBPYVKAW-UHFFFAOYSA-N 466.541 5.535 50 10 JKGE Fc1cc(Cl)c([C@H](Br)c2cc(Br)c(Cl)s2)c(Cl)c1 2318360276 ZYVVLZCEJOSLBZ-SNVBAGLBSA-N 453.385 7.094 50 10 JKGE Cc1ccc2nc(-c3ccc(NC=C(C#N)C(=O)Nc4ccc(Cl)c(Cl)c4)cc3)sc2c1 2324268955 IAVHLFVBWOWHLJ-UHFFFAOYSA-N 479.392 7.037 50 10 JKGE Cc1ccc(NC=C(C#N)C(=O)Nc2ccc(I)cc2C)c(Br)c1 2325409353 CFVSOOAIAWWGSL-UHFFFAOYSA-N 496.146 5.129 50 10 JKGE N#CC(=Cc1ccc(N2N=C(c3ccccc3)C[C@H]2c2ccccc2)cc1)c1ncccc1[N+](=O)[O-] 2331059544 OHZUWFROIPROHK-NDEPHWFRSA-N 471.520 6.410 50 10 JKGE COc1ccc(-c2csc(C(C#N)=C(O)CCCOc3ccccc3Cl)n2)c(C)c1C 2331362308 VCGYDQSLXOKASA-UHFFFAOYSA-N 454.979 6.741 50 10 JKGE Cc1ccc(C(C)(C)C)cc1-c1csc(C(C#N)=C(O)Cc2cc(Cl)ccc2Cl)n1 2331394620 DKTVTPROQKIYRY-UHFFFAOYSA-N 457.426 7.758 50 10 JKGE COc1c(Cl)cc(-c2csc(C(C#N)=C(O)c3ccc(Cl)c(Cl)c3)n2)cc1Cl 2331396477 DJAOXBUKNMPANP-UHFFFAOYSA-N 472.180 7.382 50 10 JKGE COc1ccc(-c2csc(C(C#N)=C(O)CCCOc3ccccc3Cl)n2)c(OC)c1OC 2331412721 AUKNOBRWOLCNTJ-UHFFFAOYSA-N 486.977 6.141 50 10 JKGE Cc1cc(Br)c(F)c(Br)c1[C@@H](Br)[C@H]1C(C)(C)C1(F)F 2339653360 IPOVRVDFIYRRID-KOLCDFICSA-N 464.945 6.386 50 10 JKGE Cc1ccc([C@H](CI)OCc2cccc(I)c2)cc1 2341622094 BGAIZQHTTDUXCO-INIZCTEOSA-N 478.111 5.293 50 10 JKGE COc1c(F)cc([C@H](Br)c2cc(Br)sc2Br)cc1F 2344295706 NAXYATQTADFIST-JTQLQIEISA-N 476.962 6.044 50 10 JKGE Clc1cc(Br)c(C[C@H](CBr)Cc2ccc(Br)cc2)s1 2346065768 DXHYUCBZYIPGMF-SNVBAGLBSA-N 487.482 6.723 50 10 JKGE Fc1c(Br)cc(Cl)c([C@H](Br)[C@]23COC[C@@H]2C3(F)F)c1Br 2362227586 HBTBIEZQZRSCAK-CYUDJLOBSA-N 499.346 5.722 50 10 JKGE COc1cc([C@H](Br)c2ccc(I)cc2)c(OC)cc1Cl 2363542638 VSUSSDNPHNYFLR-OAHLLOKOSA-N 467.528 5.446 50 10 JKGE Cc1cc(Br)c(F)c(Br)c1[C@H](Br)C12CCC(CC1)CC2 2365188402 KXOLCPKQOXNHSC-NWWFGRIYSA-N 469.030 7.066 50 10 JKGE Cc1cc(Br)c(F)c(Br)c1[C@H](Br)[C@H]1[C@@H]2[C@H]1CCC2(F)F 2365190658 HAJGFPQOSUFSCD-AOCCWBLSSA-N 476.956 6.386 50 10 JKGE COc1c(Br)cc(C)c([C@@H](Cl)c2cc(Cl)sc2Cl)c1Br 2365196959 RMLIDOSKNLEGKB-NSHDSACASA-N 479.448 7.225 50 10 JKGE C[C@@H]1COc2ccc([C@@H](Br)c3ccc(Cl)cc3I)cc21 2365598613 RDHWWSMHSXPGNK-JDNHERCYSA-N 463.540 5.925 50 10 JKGE FC1(F)[C@H]2C[C@H](CO[C@H](CI)c3ccc(Br)cc3)C[C@H]21 2369978332 QIHWCUSTIMGENQ-WBMYTEFPSA-N 457.096 5.233 50 10 JKGE CC(C)(C)OC(=O)Nc1cccc([S@](C)(=O)=NC[C@](C)(CBr)C(C)(C)C)c1 2380169107 QUMWWKJODNYAQI-DCFHFQCYSA-N 461.466 5.938 50 10 JKGE N#CC1=C(N)Oc2[nH]nc(-c3cccs3)c2[C@H]1c1cn(-c2ccccc2)nc1-c1ccccc1 987152 VHZVZWWSUNZDDD-OAQYLSRUSA-N 462.538 5.209 50 10 JKGE CCc1ccc([C@@H]2C(C#N)=C(N)N(c3ccc(Cl)cc3[N+](=O)[O-])C3=C2C(=O)CCC3)s1 6284133 JVTKVURRFZIDGH-FQEVSTJZSA-N 454.939 5.177 50 10 JKGE O=C(N/N=C/c1ccc(-c2ccc(Br)cc2)o1)c1ccccc1I 20494653 GCCKGGGZMAVQBG-SRZZPIQSSA-N 495.114 5.078 50 10 JKGE Cc1cccc(C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@H]3c2cccc(Br)c2)c1 38651444 PJROCWHSLNTTIV-QFIPXVFZSA-N 461.315 5.195 50 10 JKGE Cc1ccc(OCC(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@@H]3c2c(Cl)cccc2Cl)cc1 38679558 UBQXOEFFRVNJHW-HSZRJFAPSA-N 481.335 5.504 50 10 JKGE CCCCOc1cccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4oc5ccccc5c4C)ccc32)c1 38701249 UUZFWUSTWSOOMO-HHHXNRCGSA-N 494.547 6.358 50 10 JKGE Cc1cccn2c(=O)c(/C=C(/C#N)C(=O)Nc3cccc(Cl)c3)c(Oc3ccccc3F)nc12 39858729 WHOMDYWORAJQCI-VBKFSLOCSA-N 474.879 5.133 50 10 JKGE N#C/C(=C\c1ccc(-c2ccc([N+](=O)[O-])cc2Cl)o1)C(=O)Nc1ccc(Cl)cc1Cl 39884614 HCWRBBSYTHEBEN-YRNVUSSQSA-N 462.676 6.361 50 10 JKGE COc1cc(/C=N/NC(=O)COc2ccc3ccccc3c2)ccc1OCc1ccc(C)cc1 40888546 GZDZHTUNHYFVJF-STBIYBPSSA-N 454.526 5.265 50 10 JKGE COc1cc(/C=N/NC(=O)COc2cc(C)ccc2C)ccc1OCc1c(Cl)cccc1Cl 40911620 AYOAJAKSNUBQKK-XODNFHPESA-N 487.383 5.727 50 10 JKGE O=C(N/N=C/c1cc(Br)ccc1OCc1ccc2c(c1)OCO2)c1cc2ccccc2o1 59305108 SQNNRDGWGMQGKQ-RPPGKUMJSA-N 493.313 5.267 50 10 JKGE O=C(N/N=C/c1ccccc1OCc1ccccc1F)c1cc2cc(Br)ccc2o1 59445134 ANNJBBPSFIUCKQ-LGJNPRDNSA-N 467.294 5.677 50 10 JKGE CCCCC1CCC(C(=O)N2c3ccc(C[C@H](Br)CC(C)C)cc3C[C@@H]2C)CC1 71436767 CMPJNRIPMZALEV-CCTQZPCPSA-N 462.516 7.313 50 10 JKGE C=CCNC(=O)/C(C#N)=C1\S[C@H](Cc2ccc(Cl)cc2Cl)C(=O)N1c1ccc(C)c(C)c1 101241960 VKJNUVKHZXJNDY-AZJLSSPBSA-N 486.424 5.339 50 10 JKGE C=CCNC(=O)/C(C#N)=C\c1ccc(OC(=O)/C=C\c2ccc(OCc3ccccc3)cc2)c(OC)c1 103746673 HAPYUPCCYWBXOG-MVBYXHOVSA-N 494.547 5.102 50 10 JKGE COc1ccc(Br)cc1[C@@H](Br)c1ccc(I)cc1 109834424 IVFSWVKTIDIGFJ-AWEZNQCLSA-N 481.953 5.547 50 10 JKGE Clc1ccc(Br)cc1[C@H](Br)c1cc2c(cc1Cl)OCCO2 109867345 SSRQMGKLIYDHLG-HNNXBMFYSA-N 452.957 6.011 50 10 JKGE COc1ccc(COc2ccc(Br)c(CBr)c2)cc1Br 129039947 LIGSFZXPHGPEIC-UHFFFAOYSA-N 464.979 5.694 50 10 JKGE Brc1ccc(Br)c([C@H](Br)[C@@H]2CC[C@@H]3CCCC[C@@H]3C2)c1 168209676 QGVRRSWHUGIREG-SFDCBXKLSA-N 465.067 7.254 50 10 JKGE CC(C)=CCC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC=C4C[C@@H](O[Si](C)(C)C)CC[C@]4(C)[C@H]3CC[C@@]21C 195753380 VEODFHBSLVRNGP-OCBUSCMESA-N 456.831 9.168 50 10 JKGE C[Si](C)(C)NC[C@@H](O[Si](C)(C)C)c1ccc(O[Si](C)(C)C)c(O[Si](C)(C)C)c1 195783782 MLHNBOALOLAGFS-HXUWFJFHSA-N 457.912 6.431 50 10 JKGE CCCCOc1cccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)/C=C\c4ccc(OC)cc4)ccc32)c1 205660353 CZJMZDUJTBIJNX-VDFQKTSZSA-N 496.563 5.711 50 10 JKGE CCCCCCOc1ccc(/C=C(/C#N)C(=O)Nc2ccc(OC)cc2[N+](=O)[O-])cc1OC 206238383 RHYDHWLRGKRYEF-AQTBWJFISA-N 453.495 5.117 50 10 JKGE CCCNC(=O)/C(C#N)=C\c1ccc(OC(=O)CCCOc2ccc(C(C)(C)CC)cc2)c(OC)c1 207297773 BKIGATPRCKSWCC-PYCFMQQDSA-N 492.616 5.581 50 10 JKGE CCCOc1ccc([C@H](Br)c2ccc(Cl)cc2Cl)cc1Br 229009609 BYCPYCVGCHIXDF-INIZCTEOSA-N 453.001 7.029 50 10 JKGE CCCOc1ccc([C@@H](Br)c2ccc(Br)cc2)cc1Br 229009842 UHVKJXSLMRAAMC-INIZCTEOSA-N 463.007 6.485 50 10 JKGE CC[C@@H]1CCC[C@H](Oc2c(Br)cc(CBr)cc2Br)C1 233927658 SZBJSEAXEHWPOL-PWSUYJOCSA-N 455.028 6.454 50 10 JKGE Fc1cc([C@@H](Br)c2cccc(Br)c2F)c(F)cc1Br 236223180 RTMWFNJCXDKUFK-LBPRGKRZSA-N 458.897 6.113 50 10 JKGE Cc1cc(Br)c([C@H](Br)C[C@@H]2C[C@H]3CC[C@H]2C3)cc1Br 251063769 IBVYNMLQTXXBNC-CENBSLRLSA-N 451.040 6.782 50 10 JKGE CCCCCCCCOc1ccc(C=NNC(=O)COc2ccc(CCCCC)cc2)cc1 252620028 LWFATTQEGANKFK-UHFFFAOYSA-N 452.639 6.688 50 10 JKGE CCCCOc1ccc(C(=O)NN=Cc2c(OC(=O)c3ccc(OC)cc3)ccc3ccccc23)cc1 254744377 VCSQRJXNMIHPGD-UHFFFAOYSA-N 496.563 6.010 50 10 JKGE C/C(C=NNC(=O)CSc1nnc(-c2ccc(C)cc2)n1C1CCCCC1)=C\c1ccco1 254849823 XZFIRZGVKIOOHL-BDZQMUKISA-N 463.607 5.649 50 10 JKGE CCC(=NNC(=O)c1cc(-c2ccc(C(C)C)cc2)nc2ccccc12)c1ccc(Cl)s1 254855626 PONXMEIYLLVRSM-UHFFFAOYSA-N 462.018 7.284 50 10 JKGE CC(=NNC(=O)c1cc2ccccc2cc1O)c1ccc2c(c1)[C@@H]1C=CC[C@@H]1[C@H](c1ccccc1)N2 254896344 TVKWLAPEUOAAHY-GVQINVNESA-N 473.576 6.526 50 10 JKGE O=C(OCc1ccccc1)N1C[C@H](CBr)[C@H](c2cc(F)ccc2Br)C1 382694887 SZZFLUMDLPZSGO-WMLDXEAASA-N 471.164 5.335 50 10 JKGE O=C(OCc1ccccc1)N1C[C@@H](CBr)[C@H](c2cc(Cl)ccc2Br)C1 382700132 CFIHOTBSQUTBBT-RHSMWYFYSA-N 487.619 5.850 50 10 JKGE Cc1ccc([C@H](Br)c2c(Br)cc(F)c(F)c2F)cc1Br 398745669 UJXMCIBBRMFWKV-LBPRGKRZSA-N 472.924 6.422 50 10 JKGE Cc1sc(Br)cc1[C@H](Br)Cc1ccc(Br)cc1F 692782181 OAPCCFVLOPREJV-LLVKDONJSA-N 457.000 6.399 50 10 JKGE C[C@]12CN(Cc3ccccc3)C[C@@H]1CN(c1cc(Br)ccc1CBr)C2 702089688 RDXFXSQSEYYUEM-WIYYLYMNSA-N 464.245 5.302 50 10 JKGE CN(Cc1cscc1Br)c1cccc(Br)c1CBr 709995333 FTALILPIVIFLMC-UHFFFAOYSA-N 454.025 5.804 50 10 JKGE Clc1cscc1[C@@H](Br)c1cc(Br)sc1Br 711551554 KDKHOMFOSUUWTG-QMMMGPOBSA-N 451.430 6.472 50 10 JKGE COc1ccc(O[C@@H]2C[C@@H](Br)C23CCCCC3)cc1I 712928211 AJAPORFJOMWZJT-HUUCEWRRSA-N 451.142 5.165 50 10 JKGE Fc1cc2c(cc1Br)nc(CCl)n2CC[C@H]1CCN(Cc2ccccc2)C1 723941352 WMUJMCUNVSRRET-MRXNPFEDSA-N 450.783 5.589 50 10 JKGE CCCCCCCCCCOc1ccc(C(=O)NN=Cc2ccc(N(C)c3ccccc3)cc2)cc1 1083930317 XXTUSMKABIVRPR-UHFFFAOYSA-N 485.672 7.738 50 10 JKGE N#C/C(=C/c1ccc(OCc2ccccc2Cl)cc1)C(=O)Nc1cccc(C(F)(F)F)c1 1084078472 LDJKBCLCKORFJX-PDGQHHTCSA-N 456.851 6.483 50 10 JKGE COc1ccc(C(=O)NN=Cc2ccccc2Oc2ccc(C(F)(F)F)cc2[N+](=O)[O-])cc1OC 1084088327 ISPBYCVSHRXTLC-UHFFFAOYSA-N 489.406 5.187 50 10 JKGE CCOc1cc(C=NNC(=O)CC[C@H](O)c2ccccc2)cc(Cl)c1OCc1ccccc1F 1084232452 BJIPMFLIQAQBIQ-QHCPKHFHSA-N 484.955 5.421 50 10 JKGE CC(C)Cc1ccc([C@@H](C)C(=O)NN=C2C(=O)N(C/C=C\c3ccccc3)c3ccccc32)cc1 1084443100 ASDQUMBCERNYBZ-WWYFTORSSA-N 465.597 5.569 50 10 JKGE Cc1ccc(CSCC(=O)NN=Cc2cc(C)n(-c3ccc(Cl)cc3Cl)c2C)cc1 1084616852 PYYRNDSIZHAFDT-UHFFFAOYSA-N 460.430 6.093 50 10 JKGE CCOc1cc(/C=C(/C#N)C(=O)Nc2cccc(Cl)c2C)ccc1OCc1cccc(Cl)c1 1084631284 TYROTMITSZZWHT-NDENLUEZSA-N 481.379 6.825 50 10 JKGE CCc1ccccc1OCC(=O)NN=Cc1ccc(OCc2ccc(Cl)cc2)c(OC)c1 1772753217 DPLLYHFTUAZUFO-UHFFFAOYSA-N 452.938 5.019 50 10 JKGE CCCc1nn(-c2cccc3ccccc23)c2c1[C@@H](c1c(F)cccc1Cl)C(C#N)=C(N)O2 1865682414 NXHADCHIQSOXOE-JOCHJYFZSA-N 458.924 5.989 50 10 JKGE COc1ccc(-c2nn(-c3ccc(Br)cc3)c3c2[C@@H](c2ccco2)C(C#N)=C(N)O3)cc1 1865697771 BLILXKHSTJDOEN-HXUWFJFHSA-N 489.329 5.122 50 10 JKGE N#CC1=C(N)Oc2c(c(C(F)(F)F)nn2Cc2ccccc2F)[C@H]1c1ccc(C(F)(F)F)cc1 1865711330 VTBQULPZLVGBFL-INIZCTEOSA-N 482.359 5.326 50 10 JKGE COc1ccc(-c2nn(Cc3cc(C)ccc3C)c3c2[C@@H](c2ccc(OC)cc2)C(C#N)=C(N)O3)cc1 1865712991 NSDRVJUQPJROMW-SANMLTNESA-N 492.579 5.451 50 10 JKGE CC(C)(C)c1ccc(C(=O)NC/C(O)=C(\C#N)c2nc(-c3ccc4c(c3)CCCC4)cs2)cc1 1872745407 LSESAIVAXUCAIN-BZZOAKBMSA-N 471.626 6.209 50 10 JKGE COc1ccc(Cl)cc1N1C[C@H](/C(O)=C(\C#N)c2nc(-c3cccc(Cl)c3)cs2)CC1=O 1872748019 DFMWZIWZSRQOJX-CHOFAJOMSA-N 486.380 5.971 50 10 JKGE CCc1cccc(C)c1N1C[C@@H](/C(O)=C(\C#N)c2nc(-c3ccc(OC)c(F)c3)cs2)CC1=O 1872752777 RQUDRFKBGSYVOR-BVHWPRFASA-N 477.561 5.674 50 10 JKGE Cc1ccc(-c2csc(/C(C#N)=C(\O)CCCN3C(=O)c4ccc([N+](=O)[O-])cc4C3=O)n2)cc1C 1872756765 ZUMGZVUKJZUCPD-XDOYNYLZSA-N 488.525 5.204 50 10 JKGE COc1cc(/C=C(\C#N)c2nc(-c3cc(C)ccc3C)cs2)ccc1OCc1ccc(C)cc1 1872790820 GRTSWNAZDPKUQR-ZVHZXABRSA-N 466.606 7.387 50 10 JKGE COc1cc(/C=C(\C#N)c2nc(-c3ccc4c(c3)OCO4)cs2)ccc1OCc1ccc(C)cc1 1872792020 AAOYNYMANRNWOW-SSDVNMTOSA-N 482.561 6.499 50 10 JKGE FC(F)Oc1ccc([C@@H](Br)c2sc(Br)cc2Br)cc1 1922953140 AAMHZGYDMNJRMI-SNVBAGLBSA-N 476.962 6.359 50 10 JKGE CC1(C)C([C@@H](Br)c2c(Br)sc(Br)c2Cl)C1(C)C 1923073355 WOSGRLJTLJAHNB-LURJTMIESA-N 465.476 7.045 50 10 JKGE C[C@@H]1CO[C@@H]([C@@H](Cl)c2c(Br)sc(Br)c2Br)C1 1924612340 AUHMIMPCBJKGHT-CPDSJTNBSA-N 453.421 5.741 50 10 JKGE Cc1sc(Br)cc1[C@@H](Br)c1c(Cl)sc(Br)c1Cl 1925551449 AWJUPYKCEYHNTF-SSDOTTSWSA-N 499.902 7.434 50 10 JKGE Cc1cc([C@H](Br)c2c(Cl)sc(Br)c2Cl)ccc1Br 1925589414 TVDCTAPRXHJGJB-VIFPVBQESA-N 493.873 7.373 50 10 JKGE CCc1cc(Br)c([C@@H](Br)c2csc(I)c2)s1 1936757178 SHICMBDMJYKDFF-JTQLQIEISA-N 492.039 6.223 50 10 JKGE Clc1c(Br)sc(Br)c1[C@H](Br)[C@H]1[C@H]2OCC[C@@H]21 1983249112 IPAFPAWJWHUXOX-VNSQGQJGSA-N 451.405 5.397 50 10 JKGE C[C@H](CCCCCI)NC(=O)c1cccc(OCc2ccccc2)c1 2054156148 WLULYXJXPXCZOJ-QGZVFWFLSA-N 451.348 5.379 50 10 JKGE Clc1cc([C@@H](Br)c2cc(Br)sn2)c(Cl)c(Cl)c1Cl 2056495192 BFCYHJCBLGRSDJ-SSDOTTSWSA-N 470.828 7.004 50 10 JKGE O=S(=O)(c1ccc(CBr)cc1Br)N(Cc1ccccc1)CC1CCC1 2059312422 LGNSPKFYUFKFQA-UHFFFAOYSA-N 487.257 5.335 50 10 JKGE Cc1nc([C@@H](Br)c2cc(Br)c(Cl)cc2C)c(Br)s1 2082377603 SDNGYNNYWYHAFE-JTQLQIEISA-N 474.443 6.423 50 10 JKGE CCOc1ccc([C@H](Br)c2c(Br)cccc2Br)s1 2086383528 CYXYPQPIMFRHSO-ZDUSSCGKSA-N 455.009 6.156 50 10 JKGE Fc1ccc([C@@H](Br)c2cc(C3CC3)c(Br)s2)c(Br)c1 2094674557 WQZRNNWPLUGLFH-CYBMUJFWSA-N 469.011 6.774 50 10 JKGE Brc1cc([C@H](Br)C2CC3(C2)CC2(CCC2)C3)sc1Br 2100920159 KQMWFVDNWLRISU-GFCCVEGCSA-N 469.080 7.070 50 10 JKGE CC(C)(C)OC(=O)NCCCN(CC1(CBr)CCC1)c1cccc(Br)c1 2106787894 LHCULSSNVYVZDU-UHFFFAOYSA-N 490.280 5.736 50 10 JKGE COCCOc1ccc([C@H](Br)C2(Br)CCC2)cc1Br 2111900534 MEWLGZKOAQJGPH-ZDUSSCGKSA-N 457.000 5.228 50 10 JKGE BrC[C@]1(Cc2cc(Br)ccc2Br)CCC=CCCC1 2118533299 YHDQTBLUHDBHFV-MRXNPFEDSA-N 451.040 6.656 50 10 JKGE Cc1cc(Br)c(C)c([C@H](Br)CC(C)(C)C2CC2)c1Br 2136366357 HLCDESADDBPKCM-CYBMUJFWSA-N 453.056 7.091 50 10 JKGE Cc1c(Br)ccc([C@@H](Br)Cc2ccc(Cl)cc2)c1Br 2138853357 PXWKWRVBFOVAGD-AWEZNQCLSA-N 467.426 6.852 50 10 JKGE COc1c(Br)cc(C)cc1[C@H](Br)c1ccccc1I 2139004728 YBTJYVKCFKVAEL-CQSZACIVSA-N 495.980 5.855 50 10 JKGE COCC12CC([C@H](Br)c3c(Br)sc(Br)c3Cl)(CO1)C2 2141163509 IOXPUNSMBKDJKB-HUUUCTMMSA-N 495.458 5.558 50 10 JKGE COc1ccc([C@@H](Br)c2ccc(Br)cc2I)cc1C 2142289383 YWCHINOGFJDJFC-OAHLLOKOSA-N 495.980 5.855 50 10 JKGE Fc1cc([C@H](Br)Cc2ccccc2I)c(F)c(F)c1F 2143867690 GBNWYJDMTFOJGX-SECBINFHSA-N 459.018 5.526 50 10 JKGE ClCc1nc2cncc(Br)c2n1-c1cc(Br)ccc1Br 2151788839 CXEYRPYRRVRGCB-UHFFFAOYSA-N 480.385 5.447 50 10 JKGE O=C(c1csc(Br)c1Br)N1CCC2(CCC(Br)CC2)C1 2156000216 GWFUOZVQASNPIS-UHFFFAOYSA-N 486.067 5.443 50 10 JKGE C[C@@H]1Cc2cc([C@H](Br)c3cc(Cl)c(Cl)s3)cc(Br)c2O1 2156056294 XBBODZAWCMYMBZ-INWYIAFRSA-N 457.014 6.625 50 10 JKGE C[C@H]1CN(Cc2ccccc2)C[C@H]1Cn1c(CCl)nc2cc(Br)c(Cl)cc21 2159868042 ZJBIHELHNUXKAJ-HOCLYGCPSA-N 467.238 5.959 50 10 JKGE Fc1ccc(N2CCC3(CCN(Cc4ccccc4)C3)CC2)c(CBr)c1Cl 2163334818 PAFVFXLVBTVMEJ-UHFFFAOYSA-N 451.811 5.867 50 10 JKGE O=C(c1cc(Br)c(Br)s1)N1C[C@]2(F)CCC[C@]2(CBr)C1 2176629668 FPKQFXKWZZKFRR-QWHCGFSZSA-N 490.030 5.002 50 10 JKGE Br[C@@H](c1sccc1I)c1c2c(cc3c1CCC3)CCC2 2193145279 LNGNWDINUOGKMI-MRXNPFEDSA-N 459.190 5.814 50 10 JKGE CN(C[C@H](Br)COCc1ccccc1)C(=O)c1cc(Cl)cc(C(F)(F)F)c1 2200837791 PDMWAKPBXDBDMC-INIZCTEOSA-N 464.709 5.411 50 10 JKGE Cc1c(Br)ccc([C@@H](Br)c2cc(Cl)c(F)cc2F)c1Br 2203683610 DRZHNDXYYFVKJH-CQSZACIVSA-N 489.379 6.936 50 10 JKGE Brc1ccc(Br)c(CN2CC[C@@H]3CC[C@H](Br)C[C@@H]3C2)c1 2204094128 JCFRZWPSVLAGJV-SCRDCRAPSA-N 466.055 5.597 50 10 JKGE Sc1nc2cc(Br)c(Br)cc2n1C[C@H]1C[C@H](Br)C1 2218592791 VSWZMYPHWQOAAG-LJGSYFOKSA-N 455.013 5.024 50 10 JKGE Cc1nsc(Br)c1[C@H](Cl)c1cc(Br)c(Br)cc1F 2218596569 GNNHAVJQTPVXSE-SNVBAGLBSA-N 478.406 6.206 50 10 JKGE Cc1sc(Br)c(C)c1[C@H](Br)c1nn(C)c(Cl)c1Br 2218797904 IJNPPXSSSAKPDP-ZETCQYMHSA-N 477.447 5.761 50 10 JKGE BrC[C@H](Cc1cccc(Br)c1)Cc1nscc1Br 2219921597 SEBIAFLIZPXDTE-SNVBAGLBSA-N 454.025 5.464 50 10 JKGE Cc1ccc([C@H](Br)c2sc(Br)cc2Br)c(F)c1F 2223459692 JBLBZUSRAYOYEL-VIFPVBQESA-N 460.963 6.344 50 10 JKGE Cc1c(Br)sc([C@H](Br)C2C[C@H]3CCC[C@H](C2)C3)c1Br 2225306980 YBKGJOLQPMZDOI-OUJBWJOFSA-N 471.096 7.234 50 10 JKGE Cc1c(Cl)cc([C@H](Br)c2sc(Br)c(C)c2C)cc1Br 2225839911 BLQPCJHJJJCTRE-LBPRGKRZSA-N 487.482 7.336 50 10 JKGE Cc1cc(Br)c([C@H](Br)[C@@]23CCCC[C@H]2C3)c(C)c1Br 2227360143 PGZRKUFZJKQXRI-KNXALSJPSA-N 451.040 6.845 50 10 JKGE Cc1cc(Br)c([C@H](Br)c2cc(Cl)c(Cl)c(Cl)c2Cl)s1 2229331132 WRMWEQNHZOEYAN-MRVPVSSYSA-N 483.867 7.917 50 10 JKGE Clc1cccc([C@H](Br)c2c(Br)cc(Cl)c(Cl)c2Cl)c1Cl 2232512927 OZLYZVVACXBUDN-JTQLQIEISA-N 498.256 8.200 50 10 JKGE C[C@H]1OC2(C)CC1([C@@H](Br)c1c(Br)cc(Cl)c(Cl)c1Cl)C2 2232525227 BUISWRORWNGHQY-BBHOERDKSA-N 463.424 6.803 50 10 JKGE Fc1ccc(OCCOCCOCCOCc2ccccc2)c(CBr)c1Cl 2236082445 LTQZZWGXXYVJFR-UHFFFAOYSA-N 461.755 5.003 50 10 JKGE Cc1ccc(-n2c(CCl)nc3cc(Br)ccc32)c(I)c1 2240488896 DTLCURGIFJVTEA-UHFFFAOYSA-N 461.528 5.440 50 10 JKGE CN(C[C@@H](Br)COCc1ccccc1)C(=O)c1scc(Br)c1Cl 2242665710 GZDNKUDHFCAOAW-GFCCVEGCSA-N 481.637 5.216 50 10 JKGE Cc1sc([C@H](Br)c2c(Br)nn(C)c2C)c(Br)c1C 2253504036 IRJHNYMYQSDTTB-SNVBAGLBSA-N 457.029 5.416 50 10 JKGE CCc1cc([C@H](Br)c2ccc(Br)cc2C)sc1Br 2256051869 GSSYVVJNBLPPHA-CYBMUJFWSA-N 453.037 6.628 50 10 JKGE Cc1cc(F)c(Br)cc1[C@@H](Cl)c1sc(Br)cc1Br 2258096298 SHSBVGAWVCGTGE-LLVKDONJSA-N 477.418 6.811 50 10 JKGE C[C@](CI)(OC1CCN(Cc2ccccc2)CC1)c1ccccc1F 2259432878 KWMQXDUZADFONL-OAQYLSRUSA-N 453.339 5.157 50 10 JKGE COc1ccc([C@H](Br)c2c(F)cccc2I)c(Br)c1 2267741646 TXURMTGKVWRNFS-AWEZNQCLSA-N 499.943 5.686 50 10 JKGE Brc1ccc(Br)c([C@@H](Br)c2ccc(C3CCC3)s2)c1 2271972445 CFDKUTNVALJABE-OAHLLOKOSA-N 465.048 7.025 50 10 JKGE C[C@@H](Br)CN(CC(C)(C)C)C(=O)c1scc(Br)c1Br 2272459908 LTLRLMMZQWIWIJ-MRVPVSSYSA-N 476.072 5.545 50 10 JKGE COC1(C[C@@H](Br)c2c(F)cc(Br)c(F)c2Br)CCC1 2272848963 BMDMHMWYEURXFO-MRVPVSSYSA-N 462.954 5.885 50 10 JKGE CCc1nc([C@H](Cl)Cc2cc(Br)cc(Br)c2)c(Br)s1 2277961817 YNEJQOAIYDUSPU-SNVBAGLBSA-N 488.470 6.516 50 10 JKGE Fc1c(Br)cccc1[C@@H](Br)c1cc2sc(Br)cc2s1 2278025513 VWGFJKWXXIQPNN-GFCCVEGCSA-N 485.035 7.111 50 10 JKGE COc1c([C@H](Br)c2c(Br)cc(C)c(Cl)c2C)csc1Cl 2284305499 POWDKWIZKSEVJJ-NSHDSACASA-N 459.030 6.927 50 10 JKGE C=CC[C@@]1(CBr)CCCCN1Cc1cccc(Br)c1Br 2287722846 XACLOMNBBIXKBD-INIZCTEOSA-N 466.055 5.907 50 10 JKGE Cc1cc(C=C(C#N)C(=O)Nc2ccc(Cl)cc2Cl)c(C)n1-c1sc2c(c1C#N)CCCC2 2294171838 CJOCHKKGTKSJQO-UHFFFAOYSA-N 495.435 6.759 50 10 JKGE COc1c(Br)cc([C@H](Cl)c2cscc2OCc2ccccc2)c(OC)c1C 2295417256 SNVIXEKIIBYHFZ-IBGZPJMESA-N 467.812 6.743 50 10 JKGE CC(C)c1ccccc1NC=C(C#N)c1nc(-c2cc3cc(Br)ccc3oc2=O)cs1 2295902655 HGTDAYVZVPCKBT-UHFFFAOYSA-N 492.398 6.779 50 10 JKGE Cc1ccc(N2C(=O)[C@@H](Cc3cccc(C)c3)SC2=C(C#N)C(=O)Nc2ccc(F)cc2)cc1 2296634298 PHRRKXKRDYQMHO-XMMPIXPASA-N 471.557 5.508 50 10 JKGE CC1=C(C#N)C(=O)N(C2CCCC2)C(=O)C1=Cc1cn(-c2ccccc2)nc1-c1ccc(C)cc1 2296856692 RWLQIEVBOVHRDR-UHFFFAOYSA-N 462.553 5.383 50 10 JKGE N#CC(=Cc1cccc(OCc2cccc3ccccc23)c1)C(=O)Nc1cc([N+](=O)[O-])ccc1F 2297551622 UWRXQFHSRQQOJA-UHFFFAOYSA-N 467.456 6.012 50 10 JKGE Fc1ccc([C@H](Br)c2cc(Br)ccc2OCc2ccccc2)cc1 2299496257 TVTXBPKEMQYREV-FQEVSTJZSA-N 450.145 6.652 50 10 JKGE Brc1cc(OCc2ccccc2)cc2c1CC[C@@H](C1CC1)C[C@H]2Br 2299516724 DPBWGLPDAUFHBT-OXQOHEQNSA-N 450.214 6.827 50 10 JKGE N#CC(=Cc1ccc(OC(=O)c2ccc(Cl)cc2Cl)cc1)C(=O)NCc1ccccc1 2313681246 XULRHEGVCWHQQG-UHFFFAOYSA-N 451.309 5.436 50 10 JKGE CC1(C)[C@@H]2CC([C@H](Br)c3ccc(OCc4ccccc4)cc3Br)C[C@H]21 2314502808 MBXXRBGGGJAOTO-SBHAEUEKSA-N 464.241 7.146 50 10 JKGE CCc1ccc(C[C@@H]2SC(=C(C#N)C(=O)Nc3ccccc3)N(c3ccc(C)c(C)c3)C2=O)cc1 2314592012 JQIXQXKKOPANMB-SANMLTNESA-N 481.621 5.931 50 10 JKGE CC(C)c1ccc(N2C(=O)[C@H](Cc3ccccc3)SC2=C(C#N)C(=O)NCc2ccccc2)cc1 2314593225 JWFNRJJOJZFJOJ-SANMLTNESA-N 481.621 5.553 50 10 JKGE CC(=NNC(=O)c1ccc(-c2ccc(Cl)c(Cl)c2)nc1C)c1ccc(C(C)(C)C)cc1 2321281090 AVQBGQAOPPZIPG-UHFFFAOYSA-N 454.401 6.815 50 10 JKGE Cc1ccc(C=NNC(=O)[C@H](C)Oc2ccc(C(=O)Nc3c(C(C)C)cccc3C(C)C)cc2)[nH]1 2321698187 FUNKFRYVGNYXMA-FQEVSTJZSA-N 474.605 5.740 50 10 JKGE O=C1C(=Cc2cc(Cl)cc3c2OCOC3)Oc2cc(OCc3ccc(CCl)cc3)ccc21 2325339272 KEURJSJYKBSBMF-UHFFFAOYSA-N 469.320 6.141 50 10 JKGE CCc1ccc(-c2csc(C(C#N)=C(O)[C@H](CC(C)C)N3C(=O)c4ccccc4C3=O)n2)cc1 2331245580 ZCGQHVVKBHPSFC-QHCPKHFHSA-N 471.582 5.876 50 10 JKGE N#CC(=C(O)C=Cc1ccc([N+](=O)[O-])cc1)c1nc(-c2ccc(Br)cc2)cs1 2331260111 LKURVTAOFIANSH-UHFFFAOYSA-N 454.305 5.987 50 10 JKGE CCOC(=O)c1ccc(N2C[C@@H](C(O)=C(C#N)c3nc(-c4ccc(F)cc4F)cs3)CC2=O)cc1 2331286688 ZELXVYKGRNCPRX-HNNXBMFYSA-N 495.507 5.111 50 10 JKGE CC[C@@H](C)[C@@H](C(O)=C(C#N)c1nc(-c2ccc(C(C)C)cc2)cs1)N1C(=O)c2ccccc2C1=O 2331342945 HKXUIWHATIJYPK-OSPHWJPCSA-N 485.609 6.437 50 10 JKGE COc1cc(C)c(-c2csc(C(C#N)=C(O)[C@@H](C)Oc3ccccc3C(C)C)n2)cc1C(C)C 2331354007 XMTBCHVKZSBXNS-LJQANCHMSA-N 476.642 7.634 50 10 JKGE CCOc1ccc(OCC)c(-c2csc(C(C#N)=C(O)[C@@H](C)Oc3ccc(Cl)cc3)n2)c1 2331376465 GWSMDWKZGNMHDS-OAHLLOKOSA-N 470.978 6.521 50 10 JKGE CCOc1ccc(-c2csc(C(C#N)=C(O)C=Cc3ccc(OC)cc3OC)n2)c(OCC)c1 2331386583 PPMHWKCYYCROQU-UHFFFAOYSA-N 478.570 6.131 50 10 JKGE COc1ccc(-c2csc(C(C#N)=C(O)Cc3cc(Cl)ccc3Cl)n2)cc1Cl 2331398059 ZQNGISBMJILTRM-UHFFFAOYSA-N 451.762 6.814 50 10 JKGE COc1ccc(-c2csc(C(C#N)=Cc3ccc(OCc4ccccc4)cc3)n2)c2ccccc12 2331489136 BFHBMOLKXSNMGQ-UHFFFAOYSA-N 474.585 7.615 50 10 JKGE CC(C)(C)O[C@H]1C[C@@H]([C@H](Br)c2ccc(OCc3ccccc3)cc2Br)C1 2336041279 MTNZDJOUAKQDMH-CDXJDZJCSA-N 482.256 7.058 50 10 JKGE Brc1ccc(OCc2ccccc2)c([C@H](Br)[C@]23CCCC[C@H]2OCC3)c1 2336080516 ZOSJBUHDXBPVDL-FSSWDIPSSA-N 480.240 6.813 50 10 JKGE Brc1cc(OCc2ccccc2)ccc1[C@H](Br)[C@@H]1C[C@H]2COC[C@H](C2)C1 2336082883 FEFUDWBFKDLTOX-BZDHPDOMSA-N 480.240 6.527 50 10 JKGE C[C@@H]1[C@H](Br)C[C@H]2CC[C@H]1N2Cc1ccc(Cl)c(I)c1 2337222863 DUADLKAWOSLALG-SDBHATRESA-N 454.577 5.081 50 10 JKGE COc1ccc([C@H](Br)c2c(Br)ncn2C)c(Br)c1Cl 2337318185 XIQPGXQDPBWKFP-VIFPVBQESA-N 473.390 5.091 50 10 JKGE CCN[C@H](c1c(C)cc(Br)c(F)c1Br)[C@H]1C[C@@H](Br)C1 2339647623 CKCWDYZDEQVTPO-QIBSRJKCSA-N 458.007 5.483 50 10 JKGE Cc1cc(Br)c(F)c(Br)c1[C@H](Br)[C@H]1CCC[C@H](F)C1 2339682378 RSOOXDUOYVAVHV-HOTUBEGUSA-N 460.982 6.623 50 10 JKGE Cc1cc(Br)c(F)c(Br)c1[C@@H](Br)[C@@H]1[C@H]2C[C@@H]3[C@H]1[C@@H]3C2 2339686658 ZTPKSEPJLWJLNT-VIUIWIGZSA-N 452.987 5.997 50 10 JKGE Cc1c(Br)ccc([C@H](Br)[C@H]2CC[C@H]2C(C)(C)C)c1Br 2343073394 SYFRSWQTUDEDED-JVLSTEMRSA-N 453.056 7.028 50 10 JKGE FC(F)(F)[C@H]1OC2([C@H](Cl)c3ccc(OCc4ccccc4)cc3Br)CC1C2 2361171457 AQHGIYPUWPYDDR-WGJMPDEYSA-N 461.705 6.418 50 10 JKGE CC(C)c1cc(CCl)cc(Oc2cc(Br)cc(I)c2)n1 2364054663 YAHJIJDEJLBNEP-UHFFFAOYSA-N 466.544 6.103 50 10 JKGE COc1c(Br)cc(C)c([C@@H](Br)c2cccc(F)c2)c1Br 2365188786 OGXQAHGQLZWMHH-ZDUSSCGKSA-N 466.970 6.152 50 10 JKGE CCCC(CBr)(CCC)CN1CC(F)(F)[C@@](C)(CNC(=O)OC(C)(C)C)C1 2379683090 PRDHCTVCLXOWLS-SFHVURJKSA-N 455.428 5.450 50 10 JKGE C[C@]1(NCc2ccc(I)c(Br)c2)C[C@H]2CC[C@H]1C[C@H]2Cl 2381108494 FVNOCIQMLNZSBR-FIRUKDTASA-N 468.604 5.329 50 10 JKGE O=C(NC1CCCCC1)[C@@H](c1ccc(Cl)cc1)N(C(=O)CCl)c1cccc(Cl)c1 3035275 FBKSLDXLVJSSMN-OAQYLSRUSA-N 453.797 5.755 50 10 JKGE N#CC1=C2N=C(N)c3ccccc3N2C2=C(C(=O)C[C@H](c3ccccc3)C2)[C@H]1c1ccc(F)cc1 3654435 MFDUIKSPWTXOSK-BCHFMIIMSA-N 460.512 5.284 50 10 JKGE C=CCn1c(SCC(=O)N/N=C/c2ccc(Cl)cc2)nc2scc(-c3ccccc3)c2c1=O 9041523 XPADYDKCJRRTLU-LGJNPRDNSA-N 495.029 5.207 50 10 JKGE Cc1cc(OCC(=O)NNC(=O)c2ccc(Cl)cc2Cl)c(C(C)C)cc1Br 12490229 OSXBACKMQUKQCE-UHFFFAOYSA-N 474.182 5.028 50 10 JKGE O=C(Cc1ccc(Cl)cc1)N/N=C/c1cc(Br)ccc1OCc1cccc(F)c1 27520728 KESXYPPEYGGBOR-LGJNPRDNSA-N 475.745 5.513 50 10 JKGE COc1ccc(/C(C#N)=C\c2ccc(OC(=O)/C=C/c3ccc([N+](=O)[O-])cc3)c(OC)c2)cc1 31902311 SROGXTRUOUOTSQ-GSQHQUFYSA-N 456.454 5.295 50 10 JKGE CCOc1ccccc1/C=C(/C#N)c1nc(-c2cc3cc(Br)ccc3oc2=O)cs1 33246773 JLNLVRQDFUBYAC-SXGWCWSVSA-N 479.355 6.142 50 10 JKGE Cc1cccc2cc(/C=C(/C#N)c3nc(-c4ccc(Cl)c(Cl)c4)cs3)c(Cl)nc12 33391414 GWPIHAOKUWZAGG-PXNMLYILSA-N 456.785 7.691 50 10 JKGE CCOC(=O)c1c(-c2ccc(CC)cc2)csc1NC(=O)/C(C#N)=C\c1ccccc1OC 33743863 BBTZDYRSLSAMDM-ZHZULCJRSA-N 460.555 5.708 50 10 JKGE N#C/C(=C/c1c[nH]c2ccc(OCc3ccccc3)cc12)C(=O)Nc1ccc(Br)cc1 33748621 NVEZRSAKRULCPI-PDGQHHTCSA-N 472.342 6.055 50 10 JKGE CCOc1ccc(/C=C\C(=O)Oc2ccc(/C=C(/C#N)c3ccc(Cl)cc3)cc2OC)cc1OC 35239974 UBJABEXNVZYVGO-LGBNOJGDSA-N 489.955 6.439 50 10 JKGE CN(C)c1ccc(N2C(=O)CS[C@H]2c2ccc(NC(=O)[C@H](Cl)c3ccccc3)cc2)cc1 35928458 SPYLDYILZJGUQQ-NOZRDPDXSA-N 466.006 5.450 50 10 JKGE Cc1c(C(=O)Nc2cccc(C(F)(F)F)c2)oc2c1/C(=N/NC(=O)c1ccccc1O)CCC2 40826475 QPBNBJFFMNPEGK-STBIYBPSSA-N 471.435 5.035 50 10 JKGE CCCCOc1ccc(/C=N/NC(=O)COc2ccc(Br)cc2C(C)(C)C)cc1 40910562 CUIJPPICUJITJD-MFKUBSTISA-N 461.400 5.455 50 10 JKGE CCCCOc1ccc(/C=N/NC(=O)COc2cc(C)c(Cl)c(C)c2Br)cc1 40950710 FBUKBQXESXPVGJ-WYMPLXKRSA-N 467.791 5.427 50 10 JKGE O=C(CCCSc1nnc(CCc2ccccc2)n1-c1ccccc1)N/N=C/c1cccs1 58989916 AKXCWMNEYPUCBJ-LGUFXXKBSA-N 475.643 5.137 50 10 JKGE CCCN(CCC)c1ccc(C(=O)N/N=C/c2c(C)nn(Cc3ccccc3Cl)c2C)cc1 59166784 AXFMIJNXLRWCDQ-OGLMXYFKSA-N 466.029 5.592 50 10 JKGE Cc1ccccc1/C=N/NC(=O)c1ccc(-c2ccc(C(=O)N/N=C/c3ccccc3C)cc2)cc1 59475098 YHBMDQZNOPKVHA-GKTLAHRSSA-N 474.564 5.498 50 10 JKGE COc1ccc([N+](=O)[O-])cc1-n1c(C)cc(/C=C(/C#N)C(=O)Nc2cccc(Cl)c2)c1C 96838650 DBTNKTCYWYGHFF-YVLHZVERSA-N 450.882 5.210 50 10 JKGE Fc1cc(Br)c(Cl)cc1[C@@H](Br)c1cc(Br)ccc1Cl 97895805 NLHSLDKFVCCLSW-ZDUSSCGKSA-N 491.807 7.142 50 10 JKGE CCCOc1ccc([C@@H](C(=O)NC2CCCCC2)N(Cc2cccs2)C(=O)CCl)cc1OC 97914598 YHZFUGKALFXAQR-DEOSSOPVSA-N 493.069 5.303 50 10 JKGE Cc1cccc(NC(=O)/C(C#N)=C\c2cc(C)n(-c3cc(C(F)(F)F)ccc3Cl)c2C)c1 97990528 ZUTKMPXJTKWQFF-WQRHYEAKSA-N 457.883 6.620 50 10 JKGE CCc1ccc(N2C(=O)[C@@H](Cc3cccc(C)c3)S/C2=C(/C#N)C(=O)Nc2ccc(C)cc2)cc1 101245894 OGCKRTKKSUFPJK-SJCFVWOQSA-N 481.621 5.931 50 10 JKGE COc1cc(N/C=C(\C#N)c2nc(-c3cc4c(ccc5ccccc54)oc3=O)cs2)c(OC)cc1C 102472784 PRLWRKGCGHAPKM-NBVRZTHBSA-N 495.560 6.372 50 10 JKGE CCCCCCCCCCCCNC(=O)[C@@H]1CCCC[C@H]1C(=O)OC(CCl)CCl 104738639 NVEHSRTYBAHFPB-NHCUHLMSSA-N 450.491 6.219 50 10 JKGE CC[C@@H](c1nc2ccccc2c(=O)n1-c1ccccc1)N(CCC(C)C)C(=O)C(Cl)Cl 108078288 VUMOGIDZHKJDNU-FQEVSTJZSA-N 460.405 5.515 50 10 JKGE C[C@H](Br)c1cn(-c2c(Br)cc(Br)cc2Br)nn1 163600643 QMXKJXFERBUCCO-YFKPBYRVSA-N 488.803 5.011 50 10 JKGE Brc1ccc(I)cc1[C@H](Br)Cc1ccccc1 232477652 IHCLEJGJNSAGNC-CQSZACIVSA-N 465.954 5.732 50 10 JKGE COc1cc(F)c(Br)cc1[C@H](Cl)c1ccc(I)c(Cl)c1 234924312 BAQVIRKTOWFAPD-CQSZACIVSA-N 489.937 6.183 50 10 JKGE COc1ccc([C@H](Br)c2ccc(Cl)c(Br)c2)c(Br)c1 234996925 XZYIKILOFNTAIH-CQSZACIVSA-N 469.398 6.358 50 10 JKGE Clc1ccc([C@@H](Cl)c2csc3c(Br)cccc23)c(Br)c1 236041149 GPLYFFQUMWCFDR-CQSZACIVSA-N 451.010 7.408 50 10 JKGE O=[N+]([O-])c1ccccc1C[C@@H](Br)c1cc(Cl)ccc1I 236069310 SQGUSIAWJKHZKJ-GFCCVEGCSA-N 466.500 5.532 50 10 JKGE CCN(CC)c1ccc(C=NNC(=O)c2ccc(-n3c(C)ccc3-c3ccccc3)cc2)c(O)c1 254624032 XHMYNNBJTCHJMN-UHFFFAOYSA-N 466.585 5.768 50 10 JKGE COc1cccc(C=NNC(=O)CSc2nnc(-c3ccc(C)cc3)n2C2CCCCC2)c1OC 254905899 MUWPNDWGMWDGGG-UHFFFAOYSA-N 493.633 5.018 50 10 JKGE C[C@H]1CCC[C@@H](COC2(CI)CCN(C(=O)OC(C)(C)C)CC2)C1 304167349 JUPHKPPTXHALCQ-JKSUJKDBSA-N 451.389 5.034 50 10 JKGE Fc1cc2nc(CCCl)n([C@@H]3CCCN(Cc4ccccc4)C3)c2cc1Br 379629686 TZPRIYGGFONTEQ-MRXNPFEDSA-N 450.783 5.556 50 10 JKGE C[C@]1(Cn2c(CCl)nc3cc(F)c(Br)cc32)CCCN1Cc1ccccc1 398086568 VGQCQCATNBFWLZ-OAQYLSRUSA-N 450.783 5.731 50 10 JKGE BrCC(CBr)(CC[C@H]1CCOC1)c1ccccc1Br 400586126 ZQDXASGDLLTGAB-LBPRGKRZSA-N 455.028 5.293 50 10 JKGE O=C(c1cc(Br)c(Br)s1)N1CCC(CCCBr)CC1 401055726 VLPZAFZGZLKPBO-UHFFFAOYSA-N 474.056 5.300 50 10 JKGE Fc1cccc([C@H](CBr)Cc2cc(Cl)ccc2I)c1 405517555 HWFQUZVUDHWZOQ-LBPRGKRZSA-N 453.520 5.805 50 10 JKGE CCn1cc([C@@H](Br)c2scc(C(F)(F)F)c2Br)nc1Br 698393007 SIKFEKBHIGGXLH-MRVPVSSYSA-N 496.972 5.993 50 10 JKGE BrCC(CBr)(CC[C@H]1CCCCO1)c1ccc(Br)cc1 699670277 PYIZJYYIGLJNSA-OAHLLOKOSA-N 469.055 5.826 50 10 JKGE N#Cc1cccc2c1nc(CCCl)n2CC1(N(Cc2ccccc2)Cc2ccccc2)COC1 707850834 PNEPSDSZOOJKNG-UHFFFAOYSA-N 471.004 5.161 50 10 JKGE C[C@@H](Cl)c1nc2c(F)cc(F)cc2n1CC1(N(Cc2ccccc2)Cc2ccccc2)COC1 707860705 ZNYBFVPSQDDRFE-LJQANCHMSA-N 481.974 6.086 50 10 JKGE COC(=O)/C(C#N)=C\c1cc(OC)c(OCc2ccc(Cl)cc2Cl)cc1Br 1081085451 QGEMNZIBFXJGRH-ACAGNQJTSA-N 471.134 5.423 50 10 JKGE COc1ccc(C(CSc2nc3ccccc3s2)=NNC(=O)c2ccccc2Cl)cc1 1083982671 ARAGUNBAPDHAEK-UHFFFAOYSA-N 468.003 5.885 50 10 JKGE CCC(=NNC(=O)c1ccc(CSc2ccc(Cl)cc2)cc1)c1ccc(OC)c(OC)c1 1084302010 LZOQRRZWPUPBDD-UHFFFAOYSA-N 469.006 6.194 50 10 JKGE CC(C)Cc1ccc([C@H]2CN(C(=O)OCc3ccccc3)C[C@H]2CI)cc1 1614629643 UIGHQDVYTLUWCJ-FGZHOGPDSA-N 477.386 5.672 50 10 JKGE N#CC1=C(N)Oc2c(c(C(F)(F)F)nn2Cc2ccc(Cl)cc2)[C@@H]1c1c(F)cccc1Cl 1865684972 CHPLDZINIFFYBU-HNNXBMFYSA-N 483.252 5.614 50 10 JKGE CCc1nn(Cc2c(F)cccc2Cl)c2c1[C@H](c1c(Cl)cccc1Cl)C(C#N)=C(N)O2 1865686639 YIZXSSLLLZITKL-SFHVURJKSA-N 477.754 5.811 50 10 JKGE CCCCOc1ccc([C@@H]2C(C#N)=C(N)Oc3c2c(-c2ccccc2)nn3CC)cc1OCC 1865687292 NVWRAUGOXOPPSF-HSZRJFAPSA-N 458.562 5.366 50 10 JKGE Cc1ccc(O)c([C@H]2C(C#N)=C(N)Oc3c2c(-c2ccccc2)nn3Cc2ccccc2Cl)c1 1865687697 YCQZVKPEYJRCHY-QHCPKHFHSA-N 468.944 5.484 50 10 JKGE COc1ccc2ccccc2c1[C@H]1C(C#N)=C(N)Oc2c1c(C)nn2Cc1cccc(Cl)c1 1865688278 OJSQQZYPPLTCRE-DEOSSOPVSA-N 456.933 5.273 50 10 JKGE CCCOc1ccccc1[C@H]1C(C#N)=C(N)Oc2c1c(CCC)nn2Cc1cc(C)ccc1C 1865703161 OLPLXETXIFPECB-VWLOTQADSA-N 456.590 5.508 50 10 JKGE CCCc1nc(Nc2ccc(SC#N)cc2)cc(N2CCc3ccccc3[C@@H]2c2cccc(F)c2)n1 1868389187 RDQUFEODFFAHEC-LJAQVGFWSA-N 495.627 7.037 50 10 JKGE COc1cccc2cc(-c3cc(=O)oc4cc(-c5ccccc5)c(OC(=O)C(Cl)Cl)cc34)oc12 1871385240 IUPOZVWLXZIARN-UHFFFAOYSA-N 495.314 6.591 50 10 JKGE COc1cc(/C=C(\C#N)c2nc3cc(C)ccc3n2C)ccc1OCC(=O)Nc1ccc(C)cc1C 1872728317 XAACHFQKRGDRNF-HYARGMPZSA-N 480.568 5.589 50 10 JKGE COc1cccc(-c2csc(/C(C#N)=C(\O)[C@@H](C)Oc3ccc(Cl)cc3Br)n2)c1 1872744392 PUKXKHUBAXVBBR-XSBGSACPSA-N 491.794 6.495 50 10 JKGE CC[C@@H](C)N1C(=O)c2ccc(/C(O)=C(\C#N)c3nc(-c4ccccc4OC)cs3)cc2C1=O 1872747186 RAGWMHRLMOAPFQ-CINSFREOSA-N 459.527 5.163 50 10 JKGE CCOc1ccc(/C=C(C(/O)=C(\C#N)c2nc(-c3ccc(C)cc3)cs2)\c2ccccc2)cc1 1872749223 HKJQBWQGXBFYMM-JGPVJNICSA-N 464.590 7.551 50 10 JKGE Cc1ccc(C(C)(C)C)cc1-c1csc(/C(C#N)=C(\O)Cc2ccc(OCc3ccccc3)cc2)n1 1872756398 YPBNQXOZZIVEAQ-OHYPFYFLSA-N 494.660 8.030 50 10 JKGE CCOc1ccc(/C=C/C(O)=C(\C#N)c2nc(-c3cc(C)c(OC)cc3C)cs2)cc1OC 1872758397 YLPZJKAITNVFAA-OYFYCZIRSA-N 462.571 6.349 50 10 JKGE COc1ccc(-c2csc(/C(C#N)=C(\O)CCCOc3ccccc3Cl)n2)c(OC)c1OC 1872759015 AUKNOBRWOLCNTJ-MNDPQUGUSA-N 486.977 6.141 50 10 JKGE Cc1ccc(C(C)(C)C)cc1-c1csc(/C(C#N)=C/c2ccc(OCc3ccccc3Cl)cc2)n1 1872794203 OZIYUGMFKHTZHR-HZHRSRAPSA-N 499.079 8.713 50 10 JKGE COc1ccc(OC)c(-c2csc(/C(C#N)=C(\O)CCCOc3ccc(Cl)cc3)n2)c1 1873920911 MMDYZBYPGVYWIH-VZCXRCSSSA-N 456.951 6.133 50 10 JKGE N#C/C(=C(/O)CCCOc1ccccc1Cl)c1nc(-c2ccc(-c3ccccc3)cc2)cs1 1873940882 LSQFSFIWIYZYBM-LVWGJNHUSA-N 472.997 7.782 50 10 JKGE Cl[C@@H](c1cc(Br)cs1)c1cc(Br)ccc1OCc1ccccc1 1899876085 DLWALPIXKNOTQB-GOSISDBHSA-N 472.629 7.180 50 10 JKGE COc1ccc([C@@H](Cl)c2sc(Br)cc2Br)cc1Br 1922953284 BOBNLKUZTMIXLK-LLVKDONJSA-N 475.427 6.372 50 10 JKGE Clc1c(Br)sc(Br)c1[C@H](Br)C1CCCCCC1 1923071901 LSFNNHKPBCSPJY-SECBINFHSA-N 465.476 7.333 50 10 JKGE Cc1cc(Br)sc1[C@H](Br)c1csc(I)c1 1934770948 HZSBAJWALXOPJN-SECBINFHSA-N 478.012 5.969 50 10 JKGE O=C(C1CC1)[C@@H](Br)Cc1cc(Br)c(Br)c(Br)c1 1946435036 RANOLHCBRZUTEU-JTQLQIEISA-N 489.827 5.259 50 10 JKGE Brc1sc(Br)c([C@H](Br)C[C@H]2CC23CC3)c1Br 1995403054 NLRUSURCTCKWPJ-NTSWFWBYSA-N 493.884 6.662 50 10 JKGE COc1sc([C@@H](Br)c2ccc(Br)c(F)c2)cc1Br 2034628440 FKGAJUWMCPLMHJ-NSHDSACASA-N 458.972 5.905 50 10 JKGE Brc1cc2c(c([C@H](Br)c3cscc3OCc3ccccc3)c1)OCC2 2038685895 IBNXSHRAULRTNY-IBGZPJMESA-N 480.221 6.509 50 10 JKGE BrCCN(Cc1cccs1)c1ncc(Br)cc1Br 2051466889 UETBKSUVUVVRRV-UHFFFAOYSA-N 455.013 5.070 50 10 JKGE COc1cc(F)c([C@H](Br)c2nscc2Br)cc1Br 2082787450 KYJATODCYHSMHN-JTQLQIEISA-N 459.960 5.300 50 10 JKGE Cl[C@H](c1cc(Br)ccc1I)c1ncn2ccsc12 2083989709 GIMGIBVINXBNMN-SNVBAGLBSA-N 453.530 5.091 50 10 JKGE COc1ccc([C@@H](Cl)Cc2ccccc2I)c(Br)c1 2087563428 GYABDARPLYJBPR-AWEZNQCLSA-N 451.529 5.585 50 10 JKGE BrCCN(Cc1ccc(Br)cc1Br)C1CCCCC1 2092260650 JDSPKSQDRYQZOY-UHFFFAOYSA-N 454.044 5.741 50 10 JKGE C[C@@H](Br)C[C@@H]1CCCCN1Cc1ccc(Br)cc1Br 2092261130 NBKDBEDXIPPHDV-RISCZKNCSA-N 454.044 5.740 50 10 JKGE Cc1cc(F)cc(C)c1[C@@H](Br)c1c(Br)cccc1Br 2094090801 LFUGGMXNXKEVMP-OAHLLOKOSA-N 450.971 6.452 50 10 JKGE Fc1cc(Cl)c(Br)cc1[C@@H](Br)c1cc(Cl)cc(Br)c1 2097834640 MXKVGRLQIHMVAL-ZDUSSCGKSA-N 491.807 7.142 50 10 JKGE Cc1c(Br)sc([C@@H](Br)c2cc3ncccc3s2)c1Br 2108679217 VPTJNBIPRNXYDQ-NSHDSACASA-N 482.060 6.676 50 10 JKGE Brc1ccc(Br)c([C@@H](Br)[C@H]2CC3(CCCC3)CO2)c1 2109965794 URECHBSYFAPGIG-ZIAGYGMSSA-N 453.012 5.997 50 10 JKGE Clc1ccc(Br)cc1COc1ccc(Br)cc1CBr 2110520596 XXWWKZAWMOPSIT-UHFFFAOYSA-N 469.398 6.339 50 10 JKGE CCO[C@@H]1CC[C@H]([C@@H](Br)c2cc(Br)c(C)cc2Br)C1 2118272959 VCTNRRIYTVYRFV-FIXISWKDSA-N 455.028 6.161 50 10 JKGE Cc1cc(Br)c(C)c([C@@H](Br)c2cccc(Cl)c2)c1Br 2136379795 OEJPXGDCDIFSKM-HNNXBMFYSA-N 467.426 6.966 50 10 JKGE Cc1cc(Br)c(C)c([C@H](Br)[C@H]2CCCC2(C)C)c1Br 2136381108 YDTHOZSEVJNCJN-IAQYHMDHSA-N 453.056 7.091 50 10 JKGE COc1cc(Br)c(C)cc1[C@H](Br)c1ccc(Br)cc1C 2145958656 AJIPFXUFAKRXPW-MRXNPFEDSA-N 463.007 6.321 50 10 JKGE CC[C@@H](C)c1ccc([C@H](Br)c2cccc(Br)c2Br)cc1 2148751994 RUSIGOJMSIQVLS-BZNIZROVSA-N 461.035 7.209 50 10 JKGE CC1(C)COc2ccc([C@H](Br)c3csc(Br)c3Br)cc21 2150341772 KMSXPIIJNSVROI-LBPRGKRZSA-N 481.047 6.427 50 10 JKGE Cc1ccccc1C(CBr)(CBr)Cc1snc(Cl)c1Cl 2167230709 FCVVMKZXGYGKEW-UHFFFAOYSA-N 458.046 6.029 50 10 JKGE O=C(c1cc(Br)cc(Br)c1)N1CC[C@H](Br)CC12CCC2 2169888043 NWABLSKKKLBCOH-NSHDSACASA-N 466.011 5.134 50 10 JKGE Cc1cc(Br)c(C)c([C@H](Br)[C@@H](CC(C)C)C(C)C)c1Br 2201063215 CGAYHTCEQPOCGS-SUMWQHHRSA-N 469.099 7.583 50 10 JKGE Cc1cc(Br)c(C)c([C@@H](Br)c2ccc(Cl)cc2F)c1Br 2201069859 MBZAGQRGUMULLG-HNNXBMFYSA-N 485.416 7.105 50 10 JKGE COc1c(C)cc(Br)cc1[C@H](Br)c1c(Cl)cccc1Br 2206587274 QFBQBONZIBBWAX-AWEZNQCLSA-N 483.425 6.666 50 10 JKGE C[C@H](CC(F)(F)F)[C@@H](Br)c1cc(Br)c(Br)cc1F 2218605017 CARVXPOUFXSNDI-GPXNAGAYSA-N 456.897 6.375 50 10 JKGE Cc1csc([C@@H](Br)c2c(Br)cc(C)c(Br)c2C)c1 2220152748 HTSJWWSDMJHZSQ-CQSZACIVSA-N 453.037 6.683 50 10 JKGE Cc1cc([C@@H](Br)c2cc(Br)sc2C)cc(C)c1Br 2220199490 BIWJNEMAUFUYKY-CQSZACIVSA-N 453.037 6.683 50 10 JKGE Cc1c(Br)ccc([C@H](Br)[C@@H]2OC[C@@H]3CCC[C@H]32)c1Br 2224931595 MOEHHJLWPVCLIV-WVGQAWGZSA-N 453.012 5.771 50 10 JKGE CC1(C)[C@H]2C[C@H]([C@@H](Br)c3cc(Br)c(Br)cc3F)C[C@H]21 2225618356 YMPOYFRUDDVRGH-QIPHIMSASA-N 455.003 6.469 50 10 JKGE Cc1cc(Br)c([C@H](Br)C[C@H]2OCC[C@@H]2C)c(C)c1Br 2227347070 GRDXDMWJLNPWNI-ZEGGKSINSA-N 455.028 6.080 50 10 JKGE CC1(C)CCN(Cc2ccccc2)CCN1c1cc(Br)cc(F)c1CBr 2231339288 WSYWTOCXTHVOBY-UHFFFAOYSA-N 484.251 5.974 50 10 JKGE CC1(C)CCC[C@@H]([C@H](Br)c2cc(I)cc3c2OCC3)O1 2235155147 HCMKVESRKSWDKI-UONOGXRCSA-N 451.142 5.010 50 10 JKGE Cc1cc(Br)c([C@H](Br)[C@@H]2C[C@@H]3CCC[C@@H]3C2)c(C)c1Br 2235608275 IWBSIDNIMKRTOJ-ZOPJHEKZSA-N 465.067 7.091 50 10 JKGE Cc1cc(Br)c([C@@H](Br)[C@@H]2C[C@H]3[C@@H](C2)C3(C)C)c(C)c1Br 2235615784 VKQOIUSKWVZQJH-BUWBCJGYSA-N 465.067 6.947 50 10 JKGE Fc1cc(Br)c(F)c(Br)c1[C@@H](Br)CCCC(F)F 2260067619 APRYWETXBJBONF-YFKPBYRVSA-N 456.897 6.361 50 10 JKGE COc1ccc([C@@H](Br)c2c(Br)cnn2C)c(Br)c1Cl 2268266452 SCHBVXTYWVZZJK-SNVBAGLBSA-N 473.390 5.091 50 10 JKGE Fc1cccc([C@H](Cl)Cc2cc(Br)cc(Br)c2)c1Br 2277957990 ZJZSRXAMNOMMHY-GFCCVEGCSA-N 471.389 6.636 50 10 JKGE C[C@]1([C@H](Br)Cc2cc(Br)cc(Br)c2)CCCC1(F)F 2277964178 CUDMOVGVSACHIO-CHWSQXEVSA-N 460.982 6.343 50 10 JKGE COc1cc(OC)c([C@@H](Br)c2coc(Br)c2)cc1Br 2278034210 NPBCTWHJMFQTTM-ZDUSSCGKSA-N 454.940 5.306 50 10 JKGE COc1ccc([C@H](Cl)c2ccc(Br)cc2Cl)c(Br)c1Cl 2283554134 NEIHPOKFSBBVQX-CYBMUJFWSA-N 459.392 6.855 50 10 JKGE COc1ccc([C@@H](Br)[C@@H]2CCCC(C)(C)CC2)cc1I 2285011200 QGBHDFLFIYIBFD-WBMJQRKESA-N 451.186 6.342 50 10 JKGE Fc1cccc(Cl)c1[C@@H](Br)c1c(F)cc(Br)c(F)c1Br 2288349194 NDQQJIBWPSPCMO-LLVKDONJSA-N 493.342 6.767 50 10 JKGE CC(C)(C)C1([C@H](Br)c2c(F)cc(Br)c(F)c2Br)CCC1 2288373864 NGWPMGVDUZYKQZ-CYBMUJFWSA-N 475.009 7.142 50 10 JKGE N#CC(=Cc1ccc(-c2ccccc2Cl)o1)C(=O)Nc1ncc(Cc2cccc3ccccc23)s1 2296819050 OMQBQGRCSILYST-UHFFFAOYSA-N 495.991 7.346 50 10 JKGE N#CC(=Cc1ccc(-c2ccc([N+](=O)[O-])cc2)o1)C(=O)Nc1ccc([N+](=O)[O-])cc1C(F)(F)F 2297551482 NEGUAUXZMADZDI-UHFFFAOYSA-N 472.335 5.327 50 10 JKGE Brc1ccc(OCc2ccccc2)c([C@@H](Br)[C@@H]2[C@H]3CCCO[C@H]32)c1 2299490496 ZBSJQMNJTKBSOF-XWPNQZOQSA-N 452.186 5.889 50 10 JKGE CC1(C)CC[C@H](CO[C@]2(CI)CCCN(C(=O)OC(C)(C)C)C2)C1 2302680121 SJUGHBFQOJTJSL-KXBFYZLASA-N 451.389 5.034 50 10 JKGE C=CCc1cc(C=C(C#N)C(=O)Nc2ccc(C)cc2)cc(OCC)c1OCc1ccccc1C#N 2313568049 OGRCGIIZOBMHGH-UHFFFAOYSA-N 477.564 6.119 50 10 JKGE Cc1c(Cl)cccc1-n1c(C)cc(C=C(C#N)C(=O)Nc2cccc(Cl)c2Cl)c1C 2313570704 DIZCJAKNPPZUNS-UHFFFAOYSA-N 458.776 6.908 50 10 JKGE N#CC(=Cc1ccc(OCc2ccccc2F)cc1)C(=O)Nc1cc([N+](=O)[O-])ccc1Cl 2313683451 DKRNDZDHMBURJW-UHFFFAOYSA-N 451.841 5.512 50 10 JKGE Cc1cc(Cl)cc([C@@H](Br)c2cc(Br)ccc2OCc2ccccc2)c1 2314450202 XHJDAICBPHUJCA-OAQYLSRUSA-N 480.627 7.474 50 10 JKGE Cc1ccc(Cl)cc1[C@@H](Br)c1ccc(OCc2ccccc2)cc1Br 2314450255 XQFFFBHDJGPVLM-NRFANRHFSA-N 480.627 7.474 50 10 JKGE O=S1(=O)CCC[C@H]([C@H](Br)c2ccc(OCc3ccccc3)cc2Br)C1 2314456721 ZDIHPSLXIUICHD-KXBFYZLASA-N 488.241 5.289 50 10 JKGE CCc1ccc(C[C@H]2SC(=C(C#N)C(=O)Nc3ccccc3C)N(c3ccc(OC)cc3)C2=O)cc1 2314592454 UJBKUNMGFRDNKG-AREMUKBSSA-N 497.620 5.631 50 10 JKGE CC1(C)CCC[C@H]([C@H](Br)c2sc(Cl)cc2I)CC1 2316604787 CLBKPLNTTPYFRN-CABZTGNLSA-N 461.634 7.049 50 10 JKGE ClCc1ccc(Oc2cc(Br)cc(Br)c2)cc1Br 2316756662 GWXHBZWRSXDVCP-UHFFFAOYSA-N 455.371 6.505 50 10 JKGE Cc1cc(Br)c([C@@H](Br)[C@@H]2CC[C@H]3C[C@@H]2CO3)cc1Br 2328716195 TYJLZFDGQIBZBM-RSQPEXBXSA-N 453.012 5.771 50 10 JKGE N#CC(=C(O)[C@H]1CC(=O)N(Cc2ccccc2)C1)c1nc(-c2ccc(-c3ccccc3)cc2)cs1 2331231815 GDTFIXUZZGGERP-DEOSSOPVSA-N 477.589 6.318 50 10 JKGE N#CC(=C(O)c1cccc(Oc2ccccc2)c1)c1nc(-c2ccc(-c3ccccc3)cc2)cs1 2331232081 QGJWGGBRKDFULZ-UHFFFAOYSA-N 472.569 8.219 50 10 JKGE CCCCc1ccc(-c2csc(C(C#N)=C(O)c3cc(C(F)(F)F)cc(C(F)(F)F)c3)n2)cc1 2331256734 VNJVQTJQKHSGTJ-UHFFFAOYSA-N 496.476 8.140 50 10 JKGE N#CC(=C(O)c1ccc2c(c1)C(=O)N(Cc1ccccc1)C2=O)c1nc(-c2ccccc2Cl)cs1 2331266093 XPSOEZSHIZUDEA-UHFFFAOYSA-N 497.963 6.210 50 10 JKGE COc1ccc(C=CC(O)=C(C#N)c2nc(-c3cccc(Br)c3)cs2)c(OC)c1 2331279334 KRDMDEHXAISRGB-UHFFFAOYSA-N 469.360 6.096 50 10 JKGE C[C@H](C(O)=C(C#N)c1nc(-c2cccc3ccccc23)cs1)N1C(=O)c2ccccc2C1=O 2331337929 KQYSHQHLJISZDQ-OAHLLOKOSA-N 451.507 5.441 50 10 JKGE N#CC(=C(O)C=Cc1cccc([N+](=O)[O-])c1)c1nc(-c2ccc(Oc3ccccc3)cc2)cs1 2331358858 VZYYHYLRXWJGCZ-UHFFFAOYSA-N 467.506 7.017 50 10 JKGE COc1cc(OC)c(-c2csc(C(C#N)=C(O)[C@H](C)Oc3ccc(Cl)cc3)n2)cc1Cl 2331378694 QVHHRKZPGTYTRF-LBPRGKRZSA-N 477.369 6.394 50 10 JKGE COc1cc(Cl)c(C)cc1-c1csc(C(C#N)=C(O)c2ccccc2C(=O)c2ccccc2)n1 2331390364 BKZXUCYINSDTPG-UHFFFAOYSA-N 486.980 6.961 50 10 JKGE COc1c(C)cc(Cl)cc1-c1csc(C(C#N)=C(O)c2cc([N+](=O)[O-])cc([N+](=O)[O-])c2C)n1 2331393788 RGNAOUNEDAHFFK-UHFFFAOYSA-N 486.893 5.855 50 10 JKGE COc1ccc(-c2csc(C(C#N)=C(O)[C@H]3CC(=O)N([C@@H](C)c4ccccc4)C3)n2)c2ccccc12 2331406481 QRQCLHSSSLMYIV-ICSRJNTNSA-N 495.604 6.374 50 10 JKGE CCCOc1ccc(-c2csc(C(C#N)=Cc3ccc(C(F)(F)F)cc3)n2)cc1OCCC 2331437818 HGTWQNIBGJZSHR-UHFFFAOYSA-N 472.532 7.471 50 10 JKGE COc1ccc(-c2csc(C(C#N)=Cc3ccc(OCc4ccccc4Cl)cc3)n2)cc1Cl 2331484871 YVCPDFUFOGJALJ-UHFFFAOYSA-N 493.415 7.769 50 10 JKGE CCOc1cc(Br)c([C@@H](Br)[C@@H]2C[C@H]2Br)cc1OCC 2332464703 SYSITFXDWXJCER-PWZJLYFZSA-N 457.000 5.466 50 10 JKGE Clc1c(Br)sc(Br)c1[C@@H](Br)[C@H]1OC[C@@H]2CCCC[C@H]12 2333520741 PLYPZFXDFCVNMB-NKDUMWKVSA-N 493.486 6.568 50 10 JKGE CCCc1sc(Br)cc1[C@@H](Br)c1sc(C)c(C)c1Br 2338016449 AUQQNGAXMGIVNE-CYBMUJFWSA-N 487.120 7.388 50 10 JKGE Fc1cc(Cl)c([C@@H](Cl)c2c(Br)sc(Br)c2Cl)c(Cl)c1 2340797816 HZYRNBFTDGWMIK-MRVPVSSYSA-N 487.830 7.701 50 10 JKGE Cc1cc(Br)c(CCl)c(OCc2cccc(I)c2)c1 2341784005 XQTQABAPVKBGBL-UHFFFAOYSA-N 451.529 5.680 50 10 JKGE COC1(C(F)F)CC([C@H](Br)c2c(Cl)sc(Br)c2Cl)C1 2343017762 SWABGAGMSLWBMD-CTPQFPNMSA-N 458.977 6.314 50 10 JKGE Cl[C@@H]1CC[C@@H]2[C@H](CCN2Cc2ccc(I)c(Br)c2)C1 2349852881 LUJYJDPPWPCIPC-LALPHHSUSA-N 454.577 5.036 50 10 JKGE Clc1ccc([C@H](Br)CCc2cc(I)ccc2Cl)cc1 2352416383 UJMRBIGXDMSSMU-CQSZACIVSA-N 469.975 6.667 50 10 JKGE Fc1cc(Br)c(Br)cc1[C@@H](Br)[C@@H]1OC[C@@H]2CCCC[C@@H]21 2358562248 SUUYXHYTDVVBJE-PVFTVIPPSA-N 471.002 5.992 50 10 JKGE Cc1cc(Br)c([C@H](Cl)c2ccc(Cl)cc2I)c(C)c1F 2365594590 ABUASDHUOSBKMC-CQSZACIVSA-N 487.965 6.791 50 10 JKGE CCOc1ccc([C@@H](Cl)c2ccc(Cl)cc2I)cc1Br 2365596601 AFDNGJXACSDKNR-OAHLLOKOSA-N 485.974 6.434 50 10 JKGE C[C@](CBr)(OCc1ccc(Cl)cc1I)c1ccccc1 2365652687 GYBOHBQHOVYTCO-MRXNPFEDSA-N 465.556 5.772 50 10 JKGE CC(C)(C)[C@@H]1CC[C@H]1COc1c(Br)cc(Br)cc1CBr 2369286261 FPCUJMQYKJWJMU-GXFFZTMASA-N 469.055 6.558 50 10 JKGE COc1c(F)cc([C@H](Cl)c2cc(I)ccc2Br)cc1F 2370458221 WCYKMJCVRRAZEQ-ZDUSSCGKSA-N 473.482 5.669 50 10 JKGE Cc1ccccc1C[C@H]1S/C(=C(/C#N)C(=O)Nc2ccc(F)cc2)N(c2ccc(F)cc2)C1=O 2201927 GUIRNMQZTWFQSW-YMGIJWJESA-N 475.520 5.338 50 10 JKGE O=C(NC1CCCCC1)[C@@H](c1cccc(Br)c1)N(Cc1cccs1)C(=O)CCl 3040229 PXDVFSRTICWCKT-HXUWFJFHSA-N 483.859 5.268 50 10 JKGE CCOc1cc(/C=C(/C#N)c2nc3ccccc3[nH]2)ccc1OCc1ccc(Cl)cc1Cl 6196154 DOFNNXKVJQGNIT-WQRHYEAKSA-N 464.352 6.912 50 10 JKGE COc1cc(/C=C(/C#N)c2ccc(Cl)cc2)ccc1OC(=O)c1ccc(Br)cc1 31902130 LULJBAVHFUNANQ-PDGQHHTCSA-N 468.734 6.394 50 10 JKGE COc1cc(/C=C(/C#N)c2cccc(Cl)c2)c(Br)cc1OCc1ccccc1 33636760 GXAXNWAHEZDCKX-GRSHGNNSSA-N 454.751 6.754 50 10 JKGE N#CC1=C(N)Oc2cc(OC(=O)c3ccc(Cl)cc3Cl)ccc2[C@@H]1c1ccccc1F 38651968 SIFLIWDJNLHRSQ-NRFANRHFSA-N 455.272 5.570 50 10 JKGE CC(C)(C)c1ccc(C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@H]3c2c(F)cccc2Cl)cc1 38680145 JZWSKUNBFGDYAW-QHCPKHFHSA-N 476.935 6.214 50 10 JKGE CCCOc1cccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)COc4ccccc4Cl)ccc32)c1 38684428 UDGZRFHUIRTAMD-AREMUKBSSA-N 490.943 5.331 50 10 JKGE CCc1ccc2oc(C(=O)Oc3ccc4c(c3)OC(N)=C(C#N)[C@@H]4c3ccccc3F)c(C)c2c1 38687977 OOLKUXIKQXSLLY-RUZDIDTESA-N 468.484 5.880 50 10 JKGE O=C(NNc1ncnc(Nc2ccc(Oc3ccccc3)cc2)c1[N+](=O)[O-])c1ccc(Cl)cc1 40657855 JCHRTLTWEQCTNA-UHFFFAOYSA-N 476.880 5.331 50 10 JKGE Cc1cc([C@@H](Br)c2ccccc2I)c(C)cc1Br 70472041 WBGYEQSFXDWBHV-HNNXBMFYSA-N 479.981 6.155 50 10 JKGE CS/C(NC(=O)c1ccccc1)=C(/C#N)[C@H](CC(=O)c1ccccc1)c1ccccc1Cl 100381848 ROLSTKBUVWCZAT-LXAYZEPESA-N 460.986 6.225 50 10 JKGE Cc1ccc(N2C(=O)[C@@H](Cc3ccc(C(C)C)cc3)S/C2=C(/C#N)C(=O)Nc2ccccc2)cc1C 101244809 HNBOANADCLOAEZ-VOEFLUBFSA-N 495.648 6.492 50 10 JKGE Cc1cccc(N/C(SCc2ccccc2Cl)=C(\C#N)S(=O)(=O)c2ccccc2)c1C 104689547 QGMXDPSEVOVIFL-VHXPQNKSSA-N 469.031 6.469 50 10 JKGE Cl[C@H](c1ccccc1I)c1ccc(Br)c2ccccc12 127524869 CIKXJOWHXXEUSV-KRWDZBQOSA-N 457.536 6.535 50 10 JKGE COc1cc(C)c(Br)cc1[C@H](Br)c1ccc(Br)c(Cl)c1 129197732 YXUSXVUMWJLVJM-OAHLLOKOSA-N 483.425 6.666 50 10 JKGE Cc1cc(Br)c([C@H](Br)c2cc(C(F)(F)F)ccc2Br)s1 159843455 KSRUBKNMXOWLTR-LLVKDONJSA-N 492.980 7.085 50 10 JKGE Clc1ccc(Cl)c([C@H](Br)c2csc3c(Br)cccc23)c1 163512606 DSHDWILHTFLCDR-AWEZNQCLSA-N 451.010 7.455 50 10 JKGE Fc1ccc2cc([C@H](Br)c3cc(Br)c(Br)s3)sc2c1 168851767 QMHTZZAASZICGJ-LBPRGKRZSA-N 485.035 7.111 50 10 JKGE COc1cc(/C=C(/C#N)c2nc3cc(C)c(C)cc3[nH]2)cc([N+](=O)[O-])c1OCc1ccccc1 169939622 NDPVLYZCXMJSAF-JAIQZWGSSA-N 454.486 5.740 50 10 JKGE CCCCCOc1ccc(/C=C2\C(=O)N(C3CCCCC3)C(=O)C(C#N)=C2C)cc1OCC 214367072 KUTRHXQLZLRFIP-JWGURIENSA-N 450.579 5.579 50 10 JKGE CCCCCCCOc1ccc(/C=C2\C(=O)N(CCc3ccc(OC)cc3)C(=O)C(C#N)=C2C)cc1 214404313 UDCLUHUIIYYPJV-OOAXWGSJSA-N 486.612 5.879 50 10 JKGE COc1ccc([C@H](Br)c2ccccc2Br)c(OC)c1Br 224865130 AQQXOVCEHSQFKZ-CYBMUJFWSA-N 464.979 5.713 50 10 JKGE CCOc1ccc([C@H](Br)c2cccc(F)c2Br)cc1Br 228994969 VZTWFYLMKBVXCE-AWEZNQCLSA-N 466.970 6.234 50 10 JKGE O=c1[nH]c2ccc([C@@H](Br)c3cc(Br)sc3Br)cc2o1 232454737 JSEBOKNCKKXBEC-SNVBAGLBSA-N 467.964 5.192 50 10 JKGE Brc1cc([C@@H](Br)Cc2nc3ccccc3s2)c(Br)s1 232478553 MIKGKIYXZGSEFV-QMMMGPOBSA-N 482.060 6.562 50 10 JKGE CCCCCc1cc2c(c(O[Si](C)(C)C(C)(C)C)c1)[C@H]1C=C(COC(C)=O)CC[C@H]1C(C)(C)O2 256321491 SCKLQDZODWBYFB-BJKOFHAPSA-N 486.769 7.957 50 10 JKGE in-vitro CCCCCC[C@H](C)OC1(CI)CCN(C(=O)OC(C)(C)C)CC1 303741858 QXWBBPNROANPJI-INIZCTEOSA-N 453.405 5.567 50 10 JKGE ClCCc1nc2cc(I)ccc2n1C[C@@H]1CCCCN1Cc1ccccc1 379613677 XJAIQFGYNFYGMZ-IBGZPJMESA-N 493.820 5.477 50 10 JKGE C[C@@H](Cl)c1nc2c(Br)cccc2n1-c1ccc(I)cc1 380710331 PHXPQPRBSBONTM-SECBINFHSA-N 461.528 5.692 50 10 JKGE CC(C)(C)SCCC(CBr)(CBr)c1ccccc1Br 381711305 FYSLCBWEFIHMCM-UHFFFAOYSA-N 473.112 6.399 50 10 JKGE O=C(OCc1ccccc1)N1C[C@@H](CI)[C@@H](c2cccc(Cl)c2)C1 382693043 VAJZPBRCCAKHDX-SJLPKXTDSA-N 455.723 5.127 50 10 JKGE COc1ccc(Cl)cc1[C@H]1CN(C(=O)OCc2ccccc2)C[C@H]1CI 382709468 WSTKVHAXNGHBMO-QAPCUYQASA-N 485.749 5.136 50 10 JKGE Clc1ccc(Br)cc1[C@@H](Cl)c1cc(Cl)c(Cl)c(Cl)c1Cl 404880462 RKYOORITEOVUMI-SNVBAGLBSA-N 453.805 8.044 50 10 JKGE COCc1cc(Br)c([C@H](Cl)c2ccccc2I)s1 688112461 HPQNHPOPLPPXSO-GFCCVEGCSA-N 457.558 5.590 50 10 JKGE Fc1ccc([C@H](Br)c2ccc(I)cc2)c(F)c1Br 691543635 VAYKDJKPBGKENR-LLVKDONJSA-N 487.907 5.816 50 10 JKGE CN(C)C(=O)/C(C#N)=C/c1cc(Cl)c(OCc2ccccc2Cl)c(Br)c1 1083908895 TZECZQGIJUFYQN-VGOFMYFVSA-N 454.151 5.330 50 10 JKGE Cc1cc(Br)cc(Br)c1OCC(=O)NN=Cc1cccc2ccccc12 1084074424 QRVSDXIWJUQJPN-UHFFFAOYSA-N 476.168 5.202 50 10 JKGE CCOc1cc(/C=C(/C#N)C(=O)Nc2ccc(Cl)cc2)ccc1OC(=O)c1ccc(Cl)cc1 1084309842 HKXBCIIQAYKMRR-AQTBWJFISA-N 481.335 6.157 50 10 JKGE Cc1c(C(=O)N(C)c2ccccc2)oc2c1C(=NNC(=O)c1ccccc1Br)CCC2 1772744019 OSDBLNAPCTUZDW-UHFFFAOYSA-N 480.362 5.098 50 10 JKGE COc1ccc(C(=O)NN=C2CCCc3oc(C(=O)Nc4ccc(Cl)cc4Cl)c(C)c32)cc1 1772745812 LGSHEOKJHGFJTL-UHFFFAOYSA-N 486.355 5.626 50 10 JKGE Cc1ccc(NC(=O)c2oc3c(c2C)C(=NNC(=O)c2cccc4ccccc24)CCC3)cc1C 1772747424 HUWIWEHTNMPSEQ-UHFFFAOYSA-N 465.553 6.081 50 10 JKGE O=C(CCC(=O)c1ccc(Cl)cc1)NNC(=O)c1ccc(-c2ccc3ccccc3c2)s1 1860391331 ARCVUGKLNWFXMS-UHFFFAOYSA-N 462.958 5.646 50 10 JKGE CC(C)c1ccc([C@H]2C(C#N)=C(N)Oc3c2c(-c2ccccc2)nn3Cc2ccccc2Cl)cc1 1865686569 XSZNNQLHJGLQLU-VWLOTQADSA-N 480.999 6.593 50 10 JKGE CCCCOc1ccc([C@@H]2C(C#N)=C(N)Oc3c2c(-c2ccccc2)nn3CCC)cc1OCC 1865687671 XMVUZQNKQIPPCL-XMMPIXPASA-N 472.589 5.756 50 10 JKGE CCc1nn(-c2ccc(C)cc2)c2c1[C@@H](c1ccc(OCc3ccccc3)cc1)C(C#N)=C(N)O2 1865689945 HGIJGBBKNNAJIH-SANMLTNESA-N 462.553 5.540 50 10 JKGE CCOc1ccc([C@H]2C(C#N)=C(N)Oc3c2c(-c2ccccc2)nn3Cc2ccccc2F)cc1 1865692558 CINBOVBENIASPK-DEOSSOPVSA-N 466.516 5.354 50 10 JKGE CCCCOc1ccc([C@H]2C(C#N)=C(N)Oc3c2c(CCC)nn3-c2ccccc2Cl)cc1OC 1865696578 IBJKKALUQSZGAO-DEOSSOPVSA-N 493.007 5.884 50 10 JKGE N#CC1=C(N)Oc2c(c(C(F)(F)F)nn2-c2ccc(Br)cc2)[C@@H]1c1ccc(F)cc1F 1865702015 KRZUFRKXNAGPDQ-OAHLLOKOSA-N 497.221 5.150 50 10 JKGE CCc1nn(-c2ccccn2)c2c1[C@@H](c1ccc(OCc3ccccc3Cl)cc1)C(C#N)=C(N)O2 1865704086 MVZWMFNJNKZRSZ-DEOSSOPVSA-N 483.959 5.280 50 10 JKGE N#CC1=C(N)Oc2c(c(-c3ccccc3)nn2Cc2c(F)cccc2Cl)[C@H]1c1ccc(F)cc1 1865708295 SSLMTXODWDCXCV-QFIPXVFZSA-N 474.898 5.748 50 10 JKGE Cc1ccccc1[C@@H]1C(C#N)=C(N)Oc2c1c(-c1ccccc1)nn2Cc1ccc(Cl)c(Cl)c1 1865712570 BTWAWVXVQZRVLK-HSZRJFAPSA-N 487.390 6.432 50 10 JKGE N#CC1=C(N)Oc2c(c(-c3ccccc3)nn2-c2ccc(Cl)cc2)[C@H]1c1ccc(O)c([N+](=O)[O-])c1 1865714146 DWWBIGFFPPGTEJ-NRFANRHFSA-N 485.887 5.025 50 10 JKGE Cc1ccc(C(=O)CCC(=O)NNC(=O)c2ccc(-c3ccc(Cl)c(Cl)c3)nc2C)cc1 1865759118 JGRNNSPPVLZGHX-UHFFFAOYSA-N 470.356 5.096 50 10 JKGE CCCC[C@@H](NC(=O)[C@@H](c1ccc(OC)cc1)C1CCCC1)C(=O)Nc1ccc(SC#N)cc1 1867011274 JIRJLGYKBFIQAR-JWQCQUIFSA-N 479.646 5.856 50 10 JKGE COc1cccc2c3c([nH]c12)CCN(c1cc(Nc2ccc(SC#N)cc2)nc(C(C)C)n1)C3 1868231702 PAKFJSYQYKWWAR-UHFFFAOYSA-N 470.602 5.969 50 10 JKGE CCc1nc(Nc2ccc(SC#N)cc2)cc(N2CCC(C(=O)c3c[nH]c4ccccc34)CC2)n1 1868277552 AKHOTQKNLOSAMG-UHFFFAOYSA-N 482.613 5.936 50 10 JKGE Cc1cc(-c2csc(/C(C#N)=C(O)/C(=C/c3ccc(OC(C)C)cc3)c3ccccc3)n2)ccc1F 1872750120 XPJKJGUZQJRQQP-BLOQDEJMSA-N 496.607 8.078 50 10 JKGE CCc1ccc(OCCC/C(O)=C(\C#N)c2nc(-c3ccc(F)cc3)cs2)c(Br)c1 1872753183 LBQUDLRODOCJEL-UZYVYHOESA-N 487.394 6.926 50 10 JKGE CCCCCCCOc1ccc(-c2csc(/C(C#N)=C(O)/C=C/c3ccc(OC)cc3)n2)cc1 1872753282 PEWVBMMMRIESQR-WSQVVZGUSA-N 474.626 7.674 50 10 JKGE COc1cc(Cl)c(C)cc1-c1csc(/C(C#N)=C(\O)COc2ccc(C)cc2C(C)(C)C)n1 1872757152 SJCJTYLZHSCXNR-PYCFMQQDSA-N 483.033 7.258 50 10 JKGE COc1ccc(Cl)cc1-c1csc(/C(C#N)=C(\O)CCCOc2ccc3ccccc3c2)n1 1872758500 CZTQASLNTBTMRK-GYHWCHFESA-N 476.985 7.277 50 10 JKGE COc1cc(C)c(-c2csc(/C(C#N)=C/c3cc(OC)c(OC)c(OC)c3)n2)cc1C(C)C 1872793097 IAAPVGBTNVFOGS-GIJQJNRQSA-N 464.587 6.341 50 10 JKGE CCCOc1ccc(-c2csc(/C(C#N)=C(\O)c3ccc(Cl)nc3)n2)cc1OCCC 1872818073 LPTPVLFRIYERPR-XLNRJJMWSA-N 455.967 6.386 50 10 JKGE CCc1nn(C)c([C@H](Cl)c2sc(Br)c(C)c2Br)c1Br 1877186143 NLLHHMQTVPPPBU-VIFPVBQESA-N 491.474 5.968 50 10 JKGE CCCCCc1ccc([C@H](Br)c2csc(Br)c2Br)s1 1888983915 JORDOCXFMSPAST-GFCCVEGCSA-N 487.120 7.552 50 10 JKGE Cc1c(Br)sc([C@H](Br)[C@H]2C[C@H]2Br)c1Br 1893054333 LKJCOZNWSBHYBT-HBPOCXIASA-N 467.846 5.801 50 10 JKGE Cc1nsc(Br)c1[C@@H](Br)c1cc(Br)cc2c1O[C@H](C)C2 1912934530 ZPWUNWLHUYGJPH-INWYIAFRSA-N 482.035 5.784 50 10 JKGE CC[C@H](Br)CN(Cc1ccccc1)S(=O)(=O)c1ccccc1C(F)(F)F 1915079086 YERFLPDYPQLANX-HNNXBMFYSA-N 450.320 5.070 50 10 JKGE Clc1ccc(Br)c(CN(Cc2ccccc2)[C@@H](CBr)C2CC2)c1 1915209865 RJUIHUFFMXHVPC-IBGZPJMESA-N 457.637 6.278 50 10 JKGE CN(C[C@H](Br)COCc1ccccc1)C(=O)c1ccc(Cl)c(Br)c1 1916383079 CBSYJKADSDHOTQ-HNNXBMFYSA-N 475.608 5.155 50 10 JKGE Clc1c(Br)sc(Br)c1[C@H](Br)[C@@]12CCC[C@H]1OCC2 1923062647 RPWPGPHVZNYHTF-PUQNFTFYSA-N 479.459 6.322 50 10 JKGE FC1(F)CC12CC([C@@H](Br)c1c(Br)sc(Br)c1Cl)C2 1923073773 ANUYLIQNFXTKCZ-DJQPPXJLSA-N 485.413 6.798 50 10 JKGE COc1cccc([C@@H](Cl)c2c(Br)sc(Br)c2Br)c1C 1924609328 VZUVEAVGZXKGIT-LLVKDONJSA-N 489.454 6.681 50 10 JKGE Fc1cc(Br)cc([C@@H](Br)c2c(Cl)sc(Br)c2Cl)c1 1925583588 DTPPJUGPUOCHRL-MRVPVSSYSA-N 497.836 7.203 50 10 JKGE Fc1cccc(Br)c1[C@H](Cl)c1c(Cl)sc(Br)c1Cl 1925586798 DCIXWFCCUXTEAN-QMMMGPOBSA-N 453.385 7.047 50 10 JKGE Clc1sc(Br)c(Cl)c1[C@H](Br)c1ccsc1Br 1925623795 VLCCAIDBZCGXSZ-RXMQYKEDSA-N 485.875 7.126 50 10 JKGE CCC1([C@H](Br)c2c(Br)sc(Br)c2Br)CCC1 1940118092 TZCRKARVAHNXKK-MRVPVSSYSA-N 495.900 7.052 50 10 JKGE BrCCN(Cc1ccccc1)Cc1cc(Br)ccc1Br 1954246193 DYSJKWZLERSSDV-UHFFFAOYSA-N 462.023 5.609 50 10 JKGE FC(F)([C@H]1CCOC1)[C@@H](Br)c1sc(Br)cc1Br 2012976055 YECLUIWMQIYEJN-CDUCUWFYSA-N 454.956 5.381 50 10 JKGE CCCc1ccc([C@H](Br)c2cc(Cl)ccc2I)s1 2027131538 MRYFOSFQPYJNAE-CQSZACIVSA-N 455.586 6.443 50 10 JKGE Cc1cc2sc([C@@H](Br)c3cc(Br)sc3Br)cc2s1 2038894357 ASDUWHKBUFHCGI-NSHDSACASA-N 487.101 7.342 50 10 JKGE CO[C@H]1C[C@H]([C@H](Br)c2cc(Br)sc2Br)C[C@H]1OC 2054488259 XAOVMIBQBIUGQX-FGGBMERFSA-N 463.029 5.149 50 10 JKGE Cn1ncc2cc([C@H](Br)c3cc(Br)c(Br)s3)sc21 2054802522 RXEJXWCTZXRMTQ-VIFPVBQESA-N 471.037 5.706 50 10 JKGE CC(C)(C)CC1CC(O[C@]2(CI)CCCN(C(=O)OC(C)(C)C)C2)C1 2068033158 ZNMBHAGUWZRWRC-PMTKGXAQSA-N 465.416 5.423 50 10 JKGE BrCc1cc(Br)ccc1N1CCC[C@H]1[C@H]1CCN(Cc2ccccc2)C1 2089000652 ODHAINQEPAJPAK-RXVVDRJESA-N 478.272 5.835 50 10 JKGE ClC[C@H](Cc1ccc(Br)cc1Br)c1ccccc1Br 2092262281 YENFXTPQFIZDSX-NSHDSACASA-N 467.426 6.539 50 10 JKGE CC12CC([C@@H](Br)c3cc(Br)sc3Br)(C1)C1(CCC1)O2 2101239447 AMUQXFIVSDQMLC-PKSQDBQZSA-N 471.052 6.201 50 10 JKGE O=C(c1csc(Br)c1Br)N1C[C@@H](Br)CCC12CCC2 2117901506 BDLWLXLFRGTZQA-QMMMGPOBSA-N 472.040 5.195 50 10 JKGE CO[C@H]1C[C@H]([C@@H](Br)c2sc(Br)c(C)c2Br)C[C@H]1OC 2118284845 DUHHESGYYMESIN-SDNRWEOFSA-N 477.056 5.458 50 10 JKGE Brc1ccc(Br)c(CN2CC[C@]3(CCC[C@H]3Br)C2)c1 2118526348 DXDNAGTWLFDIHQ-HUUCEWRRSA-N 452.028 5.351 50 10 JKGE Cc1cc(Br)c(C)c([C@H](Br)[C@]2(C)CCCOC2)c1Br 2136379399 KBACCEACYZNKMG-LSDHHAIUSA-N 455.028 6.081 50 10 JKGE Cc1cc([C@H](Br)c2c(C)c(Br)cc(C)c2Br)sc1C 2136379843 OPZXBLWGXKMNMO-HNNXBMFYSA-N 467.064 6.991 50 10 JKGE Cc1c(Br)ccc([C@@H](Br)C2(CC(F)(F)F)CC2)c1Br 2138852222 MUKOREOHFHYQFN-LLVKDONJSA-N 464.945 6.689 50 10 JKGE C[C@@H](Br)C[C@@H]1CCCCN1Cc1ccc(I)c(Cl)c1 2142942911 HSQFIBOBHGSFKM-YPMHNXCESA-N 456.593 5.473 50 10 JKGE BrCc1ccc(N2C[C@@]34CCC[C@]3(CN(Cc3ccccc3)C4)C2)c(Br)c1 2153341081 LUBJDNMEMOPLFC-GOTSBHOMSA-N 490.283 5.837 50 10 JKGE CC1CCC2(CC1)[C@H](Br)C[C@H]2Oc1ccc(Br)cc1Br 2157074402 CSZJJVLSBIOXHQ-AFXUSDCHSA-N 467.039 6.323 50 10 JKGE O=C(c1cc(Br)c(Br)s1)N1CCC[C@@H]2CC[C@@H](Br)C[C@@H]21 2167015503 ZZMHJXJVAHLNLE-KKZNHRDASA-N 486.067 5.441 50 10 JKGE C[C@H]1CCN(Cc2ccccc2)C[C@H]1n1c(CCl)nc2cc(Cl)c(Br)cc21 2169014824 CZWWRURIAKBEJG-VBKZILBWSA-N 467.238 6.274 50 10 JKGE Cc1c(Cl)cc(C(=O)N[C@@H](C)CCCCCI)cc1Br 2174524487 SROJCGGDAYWRKZ-JTQLQIEISA-N 472.592 5.525 50 10 JKGE BrCc1cc(Br)cc(Br)c1OC[C@H]1C[C@H]1C1CCCC1 2200388662 CALIAZMNIITDJD-OCCSQVGLSA-N 467.039 6.312 50 10 JKGE Cc1cccc([C@H](Br)c2c(C)c(Br)cc(C)c2Br)c1F 2201075180 UBRTZDKAGXTBGJ-HNNXBMFYSA-N 464.998 6.760 50 10 JKGE CCCC[C@@H](C)CC[C@H](Br)c1cc(I)cc2c1OCC2 2207148631 UQFJGBAAJVFGMO-WBMJQRKESA-N 451.186 6.269 50 10 JKGE C[C@@H](CCBr)N(Cc1ccccc1)C[C@@H]1CC1(Br)Br 2208983831 LHQTVXSKICGZAG-JSGCOSHPSA-N 454.044 5.168 50 10 JKGE Cc1ccc([C@@H](Br)Cc2ccc(Br)cc2)cc1I 2217864479 KJCHCZYGQRIYCR-AWEZNQCLSA-N 479.981 6.041 50 10 JKGE Cc1cc2c(cc1Cl)nc([C@@H](C)Cl)n2CCCN(Cc1ccccc1)Cc1ccccc1 2221264962 VNEOJHTVMVEZHI-OAQYLSRUSA-N 466.456 7.390 50 10 JKGE Br[C@@H](c1ccc([C@H]2CCOC2)s1)c1sccc1I 2223726000 RPPWTHKSLXQROG-UFBFGSQYSA-N 455.180 5.402 50 10 JKGE ClCCc1nc2cc(Br)c(Br)cc2n1C[C@H]1C[C@H](Br)C1 2234073320 JLIXMXJFMYPSRU-KYZUINATSA-N 485.445 5.516 50 10 JKGE Cc1sc([C@H](Cl)c2c(Br)cc(F)c(Cl)c2F)c(C)c1Br 2234464127 LADCATKECTYDLT-LLVKDONJSA-N 464.984 7.150 50 10 JKGE Cc1cc(Br)c([C@@H](Cl)c2ccc(Cl)cc2Cl)c(C)c1Br 2235601907 BQSKWRXIAFMEIN-HNNXBMFYSA-N 457.420 7.463 50 10 JKGE COc1cc(Br)c([C@H](Br)c2cccc(Br)c2F)cc1C 2236007336 IWWXHSQCUHHFKL-CQSZACIVSA-N 466.970 6.152 50 10 JKGE O=C(Nc1ccc(Cl)cc1CBr)c1cccc(Br)c1Br 2239472441 YXLGPOCSUDXYQI-UHFFFAOYSA-N 482.397 6.012 50 10 JKGE FC(F)(F)Oc1ccc(Cl)cc1[C@@H](Br)c1sccc1I 2239619243 DURWZKGWXINSNL-SNVBAGLBSA-N 497.501 6.389 50 10 JKGE Cc1sc([C@H](Cl)c2cc(I)ccc2F)c(Br)c1C 2253467646 PPCRRKPUYZWLBH-GFCCVEGCSA-N 459.549 6.199 50 10 JKGE Clc1ccc([C@@H](Cl)c2c(Cl)sc(Cl)c2Cl)cc1I 2256339444 SKZYKBSGWNQMAL-MRVPVSSYSA-N 472.389 7.295 50 10 JKGE Cc1cc(F)c(Br)cc1[C@@H](Cl)c1cc(Br)ccc1Br 2270424110 ANANFGGBKWTZKE-CQSZACIVSA-N 471.389 6.750 50 10 JKGE C=CC[C@@]1(CBr)CCN(Cc2ccc(Br)cc2Br)C1 2272124037 VOHRRSNFLCXNEJ-HNNXBMFYSA-N 452.028 5.375 50 10 JKGE CCc1cc(Br)c([C@@H](Br)c2cc(Br)cc(C(C)C)c2)s1 2280677366 QCGSAAIYKSEWCF-HNNXBMFYSA-N 481.091 7.443 50 10 JKGE COc1cc(C)c(Br)cc1[C@H](Br)c1cccc(Cl)c1Br 2283186355 BTEQYLJVFKGBPL-CQSZACIVSA-N 483.425 6.666 50 10 JKGE COc1ccc([C@@H](Cl)Cc2ccccc2I)c(Br)c1Cl 2283552759 IQKCZJKBDWEDIL-NSHDSACASA-N 485.974 6.238 50 10 JKGE COc1cc(C=C(C#N)c2ccc(F)cc2)c(Br)cc1OCc1ccc(C)cc1 2294507836 CYTKHBJENNNMOV-UHFFFAOYSA-N 452.323 6.548 50 10 JKGE FC(F)(F)CC1([C@H](Br)Cc2cc(Br)cc(Br)c2)CCC1 2295330357 UYIIOKKDLNBBDU-GFCCVEGCSA-N 478.972 6.640 50 10 JKGE N#CC(C(=O)NCCc1ccccc1)=C1S[C@H](Cc2ccccc2Cl)C(=O)N1c1ccccc1 2296507109 TXBRBMYFUFTBRY-XMMPIXPASA-N 488.012 5.125 50 10 JKGE COc1cc(C=C(C#N)c2nc(-c3ccc(CC(C)C)cc3)cs2)ccc1OCc1ccccc1 2296789998 IDIJPAMEFQVXPZ-UHFFFAOYSA-N 480.633 7.660 50 10 JKGE CCc1cccc(CC)c1NC(SCc1cccc(OC)c1)=C(C#N)S(=O)(=O)c1ccccc1 2297350115 WROCTITZGSROED-UHFFFAOYSA-N 492.666 6.332 50 10 JKGE Cc1cc(C=C(C#N)C(=O)NCc2ccccc2)c(C)n1-c1ccc(N2CCCCC2)c([N+](=O)[O-])c1 2297456494 YGTJBBIJVQPARV-UHFFFAOYSA-N 483.572 5.216 50 10 JKGE Brc1cc(OCc2ccccc2)ccc1[C@H](Br)[C@@H]1CCC[C@H]2C[C@@H]21 2299504251 LVDUIPLBSBVHBC-YYKUARIBSA-N 450.214 6.900 50 10 JKGE CCOc1cc(C=C(C#N)C(=O)Nc2cc(C)ccc2C)ccc1OCc1ccc(Cl)c(Cl)c1 2313667191 HAQRRAIHZFUGKW-UHFFFAOYSA-N 495.406 7.134 50 10 JKGE Cc1oc(C)c([C@H](Br)c2cc(Br)ccc2OCc2ccccc2)c1C 2314447866 CGSPZWUOEBLPPJ-OAQYLSRUSA-N 464.197 7.031 50 10 JKGE CCc1ccc(Oc2nc3ccccn3c(=O)c2C=C(C#N)C(=O)Nc2ccccc2Cl)cc1 2314534063 XIPQGVPGRXQTOK-UHFFFAOYSA-N 470.916 5.248 50 10 JKGE CCOc1cc(C=C2C(=O)N(C(C)C)C(=O)C(C#N)=C2C)ccc1OCc1ccc(Cl)cc1 2314611050 PEFQBLAVMVKYSW-UHFFFAOYSA-N 464.949 5.318 50 10 JKGE Clc1cc(Cl)cc(CC[C@H](Br)c2sccc2I)c1 2318647806 NRFKYSNCMHXWOH-NSHDSACASA-N 476.004 6.728 50 10 JKGE CN(Cc1ccc(I)c(Br)c1)[C@H]1CCCC[C@@H]1Br 2325211356 HVZFSXBQKRJIBR-FZMZJTMJSA-N 487.017 5.192 50 10 JKGE CCOc1cc(C=C(C#N)c2cc3c(cc2[N+](=O)[O-])OCCO3)ccc1OCc1ccccc1F 2331051390 IUWHYYNEGVVVNY-UHFFFAOYSA-N 476.460 5.547 50 10 JKGE CCCCc1ccc(-c2csc(C(C#N)=C(O)CCCOc3cc(C)c(Cl)c(C)c3)n2)cc1 2331256736 VRFWHJGYDVNHCD-UHFFFAOYSA-N 481.061 8.075 50 10 JKGE C[C@H](C(O)=C(C#N)c1nc(-c2ccc(Cl)c(Cl)c2)cs1)N1C(=O)c2ccccc2C1=O 2331311505 OPKOQPBFJGSZHH-LLVKDONJSA-N 470.337 5.594 50 10 JKGE COc1ccc(C=CC(O)=C(C#N)c2nc(-c3ccc(Oc4ccccc4)cc3)cs2)c(OC)c1 2331358752 KGVVQEJVRALCEQ-UHFFFAOYSA-N 482.561 7.126 50 10 JKGE Cc1cc(C)c(C)c(-c2csc(C(C#N)=C(O)c3cc([N+](=O)[O-])cc([N+](=O)[O-])c3)n2)c1C 2331370286 WBZHIFXASXEUMJ-UHFFFAOYSA-N 450.476 5.810 50 10 JKGE COc1c(C)cc(Cl)cc1-c1csc(C(C#N)=C(O)c2cc3ccccc3oc2=O)n1 2331392357 VLMRXGGSAZHNPW-UHFFFAOYSA-N 450.903 5.837 50 10 JKGE CC[C@H](C)[C@@H](C(O)=C(C#N)c1nc(-c2ccc(Cl)s2)cs1)N1C(=O)c2ccccc2C1=O 2331402344 QUBXNBPWCNSUEV-BUXKBTBVSA-N 484.002 6.029 50 10 JKGE CCOc1ccc(-c2csc(C(C#N)=Cc3ccc(OCCCc4ccccc4)c(OC)c3)n2)cc1 2331441024 NVCRVNLMXWBEBN-UHFFFAOYSA-N 496.632 7.293 50 10 JKGE FC1(F)CCC[C@@H]2[C@@H]([C@H](Br)c3ccc(OCc4ccccc4)cc3Br)[C@@H]21 2336040448 FTZQMKBPOQRMSO-VBSBHUPXSA-N 486.194 7.146 50 10 JKGE COc1c(Br)cc(C)c([C@@H](Br)[C@@H]2CCCCO2)c1Br 2339652396 YYNSBZNTYXZWQY-JQWIXIFHSA-N 457.000 5.534 50 10 JKGE Clc1ccc(I)cc1CN1[C@H](CBr)C[C@@H]2CCC[C@H]21 2352409113 DCDYQUAPRUOUFT-VZJVUDMVSA-N 454.577 5.083 50 10 JKGE CC(C)(C)OC(=O)NC[C@@](C)(CI)OCc1cccc(CC(F)(F)F)c1 2353125077 XGMYSEFGIRFQSU-QGZVFWFLSA-N 487.300 5.026 50 10 JKGE Fc1c(Br)cc(Cl)c([C@H](Br)[C@H]2CC23CCOCC3)c1Br 2362238444 VRXLXZRNYKJUJV-RDDDGLTNSA-N 491.420 6.257 50 10 JKGE COc1ccc(C[C@H](Br)c2sc(Br)c(C)c2C)c(Br)c1 2364264405 XGNAVAFHMDDVJO-ZDUSSCGKSA-N 483.063 6.577 50 10 JKGE Cc1cc(Br)c(F)c(Br)c1[C@H](Br)[C@@H]1C[C@@H]2CCC[C@@H]2C1 2365193060 FZVYAYHRIXOSNV-YAMSLAJTSA-N 469.030 6.921 50 10 JKGE Fc1cc(OCc2ccc(I)c(Cl)c2)cc(Cl)c1CBr 2379791318 YDTFQDFEDBIVHY-UHFFFAOYSA-N 489.937 6.211 50 10 JKGE Clc1ccc(I)cc1CN1CC[C@H]2[C@H](CCC[C@H]2Br)C1 2380513423 UCFCFBRNFUJPSH-BYCMXARLSA-N 468.604 5.330 50 10 JKGE N#C/C(=C/c1cccn1Cc1ccc(Cl)cc1Cl)C(=O)Nc1ccccc1C(F)(F)F 20494829 HZVNDWIBKLRYNN-GDNBJRDFSA-N 464.274 6.408 50 10 JKGE N#C/C(=C/c1cn(-c2ccccc2)nc1-c1ccc(Br)cc1)C(=O)NCc1ccccc1 33339463 VFKCKJIINIMTPV-QNGOZBTKSA-N 483.369 5.525 50 10 JKGE N#C/C(=C/c1cc(OC(=O)c2ccccc2Cl)cc2ccccc12)c1nnc2n1CCCCC2 33429881 VZQUORNTMOVBPK-ZHZULCJRSA-N 468.944 6.094 50 10 JKGE C=CCc1ccc(OCCOc2ccccc2/C=C(/C#N)C(=O)Nc2ccccc2C)c(OC)c1 34864907 MOZPUKCAGFSCDS-CLCOLTQESA-N 468.553 5.736 50 10 JKGE Cc1ccc(NC(=O)/C(C#N)=C\c2c(Oc3ccccc3Cl)nc3c(C)cccn3c2=O)cc1 35178392 NUPWVRRAVXTINX-JXAWBTAJSA-N 470.916 5.303 50 10 JKGE Cc1cccc(OCC(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@@H]3c2ccc(Cl)c(Cl)c2)c1 38655845 MIFLRESIGVXLNH-XMMPIXPASA-N 481.335 5.504 50 10 JKGE N#CC1=C(N)Oc2cc(OC(=O)c3ccc(Cl)cc3Cl)ccc2[C@@H]1c1cccc2ccccc12 38657740 BXQXGMBSGXQTRJ-VWLOTQADSA-N 487.342 6.584 50 10 JKGE CCc1ccc(O[C@H](C)C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@@H]3c2cccc3ccccc23)cc1 38657921 CJOMFMIUWABMRW-SONOPUAISA-N 490.559 5.993 50 10 JKGE COc1cc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4cccs4)ccc32)ccc1OCCC(C)C 38660377 SKVGRVWNKKUBPF-RUZDIDTESA-N 490.581 5.619 50 10 JKGE COc1cc(/C=C2/C(=O)N(C3CCCC3)C(=O)C(C#N)=C2C)ccc1OCc1ccc(C)cc1 40514578 PXGFQJGZGBQNRW-OEAKJJBVSA-N 456.542 5.118 50 10 JKGE CCOc1ccc([C@@H](O)CCC(=O)N/N=C/c2cc(C)n(-c3sc(C)c(C)c3C#N)c2C)cc1 58894402 RQYKLMMWIMZRTI-GCFUEJLLSA-N 478.618 5.007 50 10 JKGE N#C/C(=C\c1ccc(-c2ccc(C(=O)O)c(Cl)c2)o1)C(=O)Nc1cccc(Cl)c1Cl 59336378 QWEXQYMAHBXMSK-XYOKQWHBSA-N 461.688 6.151 50 10 JKGE Fc1ccc(C[C@@H](CBr)Cc2cccc(Br)c2)c(Br)c1 97184653 OXHXIEKHBCYAHD-LBPRGKRZSA-N 464.998 6.147 50 10 JKGE CC(C)(C)c1ccc(Oc2nc3ccccn3c(=O)c2/C=C(/C#N)c2nc3ccccc3s2)cc1 102684256 IAQYANGBBZIOQK-VLGSPTGOSA-N 478.577 6.458 50 10 JKGE CCCCCCOc1ccc(/C=C\C(=O)Oc2ccc(/C=C(/C#N)C(=O)OC)cc2OC)cc1OC 103756933 MOPMXKPOYSLOES-WIWSQCTFSA-N 493.556 5.362 50 10 JKGE Fc1cc([C@H](Br)c2cc(Br)ccc2Br)cc(F)c1F 109844446 FRCDJLWVIZUETH-LBPRGKRZSA-N 458.897 6.113 50 10 JKGE Brc1cc([C@@H](Br)c2ccc(C3CCCCC3)cc2)sc1Br 128550607 LLHXJGGFHJTYEB-INIZCTEOSA-N 493.102 7.805 50 10 JKGE Brc1ccccc1[C@H](CI)O[C@@H]1CCCc2ccccc21 162080481 QWDMBWUJQSEPSI-MSOLQXFVSA-N 457.149 6.019 50 10 JKGE O=[N+]([O-])c1cc(Br)ccc1COc1ccc(Br)cc1CBr 162283585 GWCLCPRZYYDGSH-UHFFFAOYSA-N 479.950 5.594 50 10 JKGE C=C(C[C@]1(C)CCCc2cc(O[Si](C)(C)C(C)(C)C)ccc21)c1cccc(OC)c1OC 203764537 DCLPMEZANOMCGX-NDEPHWFRSA-N 452.711 7.785 50 10 JKGE N#C/C(=C/Nc1ccc(I)cc1)C(=O)Nc1cc(Cl)ccc1Cl 217135652 YEAPLFAZDDNUET-KTKRTIGZSA-N 458.086 5.056 50 10 JKGE Cc1cc(Br)c(NC(=O)c2ccc(CBr)cc2)c(Br)c1 228123969 BLFPGSQCYFFZEB-UHFFFAOYSA-N 461.979 5.667 50 10 JKGE Cc1cccc([C@@H](Br)c2cc(Br)sc2C)c1I 235927833 OFXGNYOSUNXYFH-GFCCVEGCSA-N 486.010 6.216 50 10 JKGE Cc1cccc([C@@H](Br)c2cc(Cl)cc3c2OCC3)c1I 235993764 FPFQSVNVONBAKL-CQSZACIVSA-N 463.540 5.672 50 10 JKGE CC[C@@H](Oc1ccc2ccccc2c1Br)C(=O)NN=Cc1ccc2ccccc2c1 252634133 WKLOFJUOJYCTDG-JOCHJYFZSA-N 461.359 6.063 50 10 JKGE CCCCC(=NNC(=O)c1cc(-c2ccc(Cl)c(Cl)c2)nc2ccccc12)c1ccc(F)cc1 254479928 ORUTZARFTLNDSE-UHFFFAOYSA-N 494.397 7.672 50 10 JKGE C=CCCCCCCCCC(=O)NN=Cc1ccc(C=NNC(=O)CCCCCCCCC=C)cc1 254741804 DXVGKUFPCRQMKO-UHFFFAOYSA-N 494.724 7.200 50 10 JKGE CC(C)c1ccc(-c2cc(C(=O)NN=C[C@@H](C)Cc3ccc4c(c3)OCO4)c3ccccc3n2)cc1 254797875 PDSJUVKGQBNLPL-FQEVSTJZSA-N 479.580 6.348 50 10 JKGE C/C(C=NNC(=O)CSc1nnc(SCc2cccc3ccccc23)s1)=C\c1ccccc1 254866247 CZKVVTMXTJZXQI-VKPMSBFESA-N 490.679 6.281 50 10 JKGE ClCc1cc(Br)cc(Br)c1OCc1cncc(Br)c1 311950190 JMWVNSUNEYOFGR-UHFFFAOYSA-N 470.386 5.687 50 10 JKGE C[C@H](Br)C[C@@H]1CCCCN1C(=O)c1cc(Br)c(Br)s1 388135716 NAPLOLLIPJMTGN-IUCAKERBSA-N 474.056 5.441 50 10 JKGE C[C@@H](Cl)c1nc2cc(I)ccc2n1C[C@]1(C)CCCN1Cc1ccccc1 398080699 RRQPYUGFINNWOS-ZHRRBRCNSA-N 493.820 5.995 50 10 JKGE Fc1ccc(C[C@@H](CBr)Cc2cc(Cl)ccc2I)cc1 405549440 YGHSCHIAPSJJPP-GFCCVEGCSA-N 467.547 5.880 50 10 JKGE COCc1cc(Br)c([C@@H](Br)c2ccsc2Br)s1 698587353 HMKUSYSQMVILRP-VIFPVBQESA-N 461.038 5.965 50 10 JKGE CO[C@@](C)(COCc1ccccc1)Cn1c([C@H](C)Cl)nc2cc(Br)cnc21 702787115 ZHLMBRYJSFTLLX-VBKZILBWSA-N 452.780 5.116 50 10 JKGE C[C@@H]1CCN(Cc2ccccc2)C[C@H]1n1c(CCl)nc2cc(Br)c(F)cc21 716304422 ZFZCKAQJLVJMML-JLTOFOAXSA-N 450.783 5.760 50 10 JKGE Cc1cc(Br)c([C@@H](Br)c2c(F)ccc(F)c2F)cc1Br 716417727 INDFFJBTELMBDM-CYBMUJFWSA-N 472.924 6.422 50 10 JKGE CC1(C)CN(Cc2ccccc2)C[C@H]1n1c(CCCl)nc2cc(I)ccc21 720701183 FEMQRPXBBSPCAP-HXUWFJFHSA-N 493.820 5.505 50 10 JKGE O=C(NN=Cc1ccc(OCc2ccc(Cl)cc2Cl)cc1)c1cccc(Br)c1 725412741 MBSOTJVIKJRQHQ-UHFFFAOYSA-N 478.173 6.099 50 10 JKGE Cc1cc(Cl)ccc1NC(=O)C(=O)NN=Cc1cc(C)n(-c2ccccc2C(F)(F)F)c1C 1083983498 QYHIUFJZIQVUAS-UHFFFAOYSA-N 476.886 5.164 50 10 JKGE N#C/C(=C/c1cc(Br)ccc1OCc1ccc(F)cc1)C(=O)Nc1ccc(F)cc1 1084278519 BBUQQVQJXPUPKO-BOPFTXTBSA-N 469.285 5.852 50 10 JKGE O=C(CCCSc1nc2ccc([N+](=O)[O-])cc2s1)NN=Cc1c(O)ccc2ccccc12 1084393489 VAHMYJSEXFWUSS-UHFFFAOYSA-N 466.544 5.086 50 10 JKGE CCOc1cc(C=NNC(=O)c2ccccc2[N+](=O)[O-])ccc1OCc1cccc2ccccc12 1084450322 CFHUMOBJQRAEDX-UHFFFAOYSA-N 469.497 5.490 50 10 JKGE CCc1ccc(NC(=O)/C(C#N)=C\c2cc(Br)ccc2OCc2ccc(F)cc2)cc1 1084523183 RPEOWRVYZWLMKW-MOSHPQCFSA-N 479.349 6.275 50 10 JKGE Cc1ccc(Cl)cc1NC(=O)/C(C#N)=C\c1ccc(OCc2ccc(Cl)cc2Cl)cc1 1084610891 WFCNIDNPPIGQRF-ZDLGFXPLSA-N 471.771 7.080 50 10 JKGE Cc1cc(C)nc(SCC(=O)NN=Cc2cn(Cc3ccc(Cl)cc3Cl)c3ccccc23)n1 1565518990 XMVYHJNVDAKRIL-UHFFFAOYSA-N 498.439 5.646 50 10 JKGE COc1ccccc1C(=O)NN=C1CCCc2oc(C(=O)Nc3cccc(Cl)c3C)c(C)c21 1772746480 VXGJBFPQHOKBJD-UHFFFAOYSA-N 465.937 5.281 50 10 JKGE O=C(/C=C\c1ccccc1)NN=C1C(=O)N(Cc2ccccc2Cl)c2ccc(Br)cc21 1772752440 MKDOHVKCFPRKAI-SEGITPAESA-N 494.776 5.183 50 10 JKGE COc1cccc([C@H]2C(C#N)=C(N)Oc3c2c(-c2ccccc2)nn3-c2ccccc2Cl)c1O 1865684814 ZCBCFMMNRSIISJ-NRFANRHFSA-N 470.916 5.125 50 10 JKGE N#CC1=C(N)Oc2c(c(-c3ccccc3)nn2Cc2ccccc2)[C@H]1c1ccc(Cl)c(Cl)c1 1865685863 NVMVGNRXZBZPEU-QFIPXVFZSA-N 473.363 6.123 50 10 JKGE Cc1ccc(Cn2nc(C)c3c2OC(N)=C(C#N)[C@@H]3c2ccc(OCc3ccccc3)cc2)cc1 1865690181 KVUYWNNBHHOPHB-MHZLTWQESA-N 462.553 5.345 50 10 JKGE COc1ccc(-c2nn(Cc3cc(C)ccc3C)c3c2[C@@H](c2ccccc2C)C(C#N)=C(N)O3)cc1 1865712679 FGJKHGGIOJSIRL-SANMLTNESA-N 476.580 5.750 50 10 JKGE COc1ccc(-c2nn(Cc3ccc(C)cc3)c3c2[C@H](c2ccc([N+](=O)[O-])cc2)C(C#N)=C(N)O3)cc1 1865713261 VBSGMMJNRDJYAP-XMMPIXPASA-N 493.523 5.042 50 10 JKGE CC[C@H](NC(=O)[C@H](c1ccc(Br)cc1)C(C)C)C(=O)Nc1ccc(SC#N)cc1 1866972557 CMRSJDCZMNKLOH-PMACEKPBSA-N 474.424 5.295 50 10 JKGE CCC[C@H](NC(=O)[C@H](c1ccc(OC)cc1)C1CCCC1)C(=O)Nc1ccc(SC#N)cc1 1867011576 MZXQSJXXXRUQOJ-ZEQRLZLVSA-N 465.619 5.466 50 10 JKGE COc1ccc(-c2csc(/C(C#N)=C(\O)c3ccccc3I)n2)cc1 1872746118 SSADKIOMZCPZKN-SDXDJHTJSA-N 460.296 5.373 50 10 JKGE CC[C@@H](C)[C@H](/C(O)=C(\C#N)c1nc(-c2ccc(OC)c(C)c2)cs1)N1C(=O)c2ccccc2C1=O 1872746639 QVJMXVQHKOLIRD-KRGSWRLMSA-N 487.581 5.631 50 10 JKGE CC[C@H](C)[C@@H](/C(O)=C(\C#N)c1nc(-c2ccc(C(C)(C)C)cc2)cs1)N1C(=O)c2ccccc2C1=O 1872751153 UESNKORUSIIABN-QVJTWOOLSA-N 499.636 6.611 50 10 JKGE C=CCOc1ccccc1OC/C(O)=C(\C#N)c1nc(-c2cc(C(C)(C)C)ccc2C)cs1 1872756415 ZNJROPBGNDCEJY-LNVKXUELSA-N 460.599 6.853 50 10 JKGE CCCOc1ccc(/C=C(\C#N)c2nc(-c3cc(C(C)(C)C)ccc3OC)cs2)cc1OCC 1872792967 AILHOTNDEMVYAT-XSFVSMFZSA-N 476.642 7.368 50 10 JKGE C[C@@H](c1ccccc1)N1C[C@H](/C(O)=C(\C#N)c2nc(-c3ccc(F)cc3F)cs2)CC1=O 1872818138 OEYZNUWJMBKBFN-ZNERZTHVSA-N 451.498 5.491 50 10 JKGE Brc1cc([C@@H](Br)[C@H]2C[C@H](Br)C2)sc1Br 1893087566 CTMQPYLDWWHBTR-YQJDLUKNSA-N 467.846 5.883 50 10 JKGE C[C@@H]1C[C@H]1CC[C@@H](Cl)c1c(Br)sc(Br)c1Br 1897160934 BBUSFYBYKHMMOP-FSDSQADBSA-N 451.449 6.752 50 10 JKGE CCOc1ccc([C@@H](Br)c2c(C)nsc2Br)cc1Br 1912976932 VYGCDQQDBMOXTL-GFCCVEGCSA-N 470.024 5.860 50 10 JKGE CC[C@H](Cl)CN(Cc1ccccc1)C(=O)c1cc(Br)c(Br)s1 1915091441 XMWVLFQZMFPAEO-LBPRGKRZSA-N 465.638 5.933 50 10 JKGE O=C(c1c(F)cccc1Br)N(Cc1ccccc1)C1(CBr)CCC1 1915757025 SCIICFBUHSKSSH-UHFFFAOYSA-N 455.165 5.548 50 10 JKGE Brc1cccc(CN2CC[C@@]3(CCC[C@@H]3Br)C2)c1Br 1918936386 RTTYTTFNHUQFIS-ZFWWWQNUSA-N 452.028 5.351 50 10 JKGE C[C@H]1CN(Cc2ccccc2)C[C@H](C)N(c2ccc(Br)cc2CBr)C1 1921467381 WMHGCRAZEIJWQF-IRXDYDNUSA-N 466.261 5.691 50 10 JKGE Cc1c(Br)sc([C@H](Br)c2cccc(OC(C)C)c2)c1Br 1922880548 FEUIEMRXUTVSII-CYBMUJFWSA-N 483.063 6.853 50 10 JKGE COCc1csc([C@@H](Br)c2sc(Br)cc2Br)c1 1922888374 QBAGZTCVXCMFHM-SNVBAGLBSA-N 461.038 5.965 50 10 JKGE Fc1cccc(C[C@H](Br)c2sc(Br)cc2Br)c1F 1922946378 QMNDDIVNNHJALW-ZETCQYMHSA-N 460.963 6.230 50 10 JKGE Clc1c(Br)sc(Br)c1[C@@H](Br)c1ccc2c(c1)COC2 1923067874 JXOHOYVKKUUCOR-JTQLQIEISA-N 487.438 6.441 50 10 JKGE F[C@@H]1CC[C@H]([C@@H](Br)c2c(Br)sc(Br)c2Cl)C1 1923070556 CFRZAZMSDIZLNN-HBPOCXIASA-N 455.412 6.501 50 10 JKGE Clc1c(Br)sc(Br)c1[C@@H](Br)C(C1CC1)C1CC1 1923073000 TTXRORMBNSQMTF-VIFPVBQESA-N 463.460 6.799 50 10 JKGE CC1(C)C[C@H]([C@H](Cl)c2c(Br)sc(Br)c2Br)CO1 1997141285 FEHJFTIBCDOYNX-XNCJUZBTSA-N 467.448 6.131 50 10 JKGE Cc1cc([C@@H](Br)c2cc(F)c(Br)cc2F)c(Br)s1 2039503950 UOFRJIRXLMWJLK-NSHDSACASA-N 460.963 6.344 50 10 JKGE Cc1c(Br)sc([C@@H](Br)C23CCC(F)(CC2)C3)c1Br 2039749290 RLJYDWMJCDZVSA-QFWMXSHPSA-N 461.032 6.690 50 10 JKGE Clc1c(Br)sc(Br)c1[C@H](Br)[C@@H]1CO[C@@H]2COC[C@@H]21 2040325941 OARGABZSDCMOPS-UAKXSSHOSA-N 481.431 5.024 50 10 JKGE CCCn1c(C)cc(C(=O)C(C#N)=Cc2cn(-c3ccccc3)nc2-c2cccc(Cl)c2)c1C 2040448139 BYIPGKPUWIEHNZ-UHFFFAOYSA-N 468.988 6.811 50 10 JKGE C[C@@H]1CN(Cc2ccccc2)CCN(c2cc(Br)cc(F)c2CBr)C1 2051131215 HSUWXMGBBUDFEK-OAHLLOKOSA-N 470.224 5.441 50 10 JKGE O=S(=O)(c1cc(Cl)cc(CBr)c1Cl)N(Cc1ccccc1)CC(F)F 2059314706 OXGFJKSXODIUMC-UHFFFAOYSA-N 473.166 5.344 50 10 JKGE CCCN[C@@H](c1sc(Br)c(C)c1Br)[C@H]1C[C@@H](Br)C1 2076183831 KFXMWEFKXJCHGX-WCABBAIRSA-N 460.073 5.796 50 10 JKGE Fc1cc(Br)c([C@@H](Br)c2coc(Br)c2)c(F)c1Cl 2081838067 HNEODGXSOLWJCV-VIFPVBQESA-N 465.313 6.221 50 10 JKGE Cc1c(Br)ccc([C@@H](Cl)c2cc(Br)n(C)n2)c1Br 2083336186 XWIDYGWJRQZBDV-GFCCVEGCSA-N 457.391 5.344 50 10 JKGE C[C@@]1(C2CC2)CN(c2cccc(Br)c2CBr)CCN1Cc1ccccc1 2094733847 XZAAQYQXBWCZHI-QFIPXVFZSA-N 478.272 5.835 50 10 JKGE C[C@@H]1CCO[C@H]1CC(CBr)(CBr)c1ccc(Br)cc1 2096130850 YQLGNCDLENLZRZ-RISCZKNCSA-N 455.028 5.292 50 10 JKGE CC(C)(CBr)[C@H]1CCCN1C(=O)c1cc(Br)c(Br)s1 2099631119 PVZCNSMPVVQJDL-SNVBAGLBSA-N 474.056 5.299 50 10 JKGE Brc1ccc(Br)c([C@@H](Br)c2cc3c(s2)CCOC3)c1 2103240839 AUFRAEOSHIDMAO-CQSZACIVSA-N 467.020 5.830 50 10 JKGE CC(C)(C)OC(=O)NCCCN(C(=O)CCCCBr)c1cccc(Br)c1 2106779241 MCHUPDOZKVLGJW-UHFFFAOYSA-N 492.252 5.262 50 10 JKGE C[C@@]1(n2c(CCl)nc3cc(Cl)c(Br)cc32)CCN(Cc2ccccc2)C1 2112696688 PJSASIXJVHCWTA-HXUWFJFHSA-N 453.211 5.812 50 10 JKGE Brc1ccc(Br)c(C[C@H]2CCCCCCC[C@@H]2Br)c1 2118523890 CRGFBZMAZXGBSJ-DOMZBBRYSA-N 453.056 6.878 50 10 JKGE Cl[C@@H](CCc1cc(Br)ccc1Br)c1cccc(Br)c1 2118529620 DEWUABDWJHFCPC-HNNXBMFYSA-N 467.426 6.887 50 10 JKGE COC[C@@H]1CC[C@H](Cc2cc(Br)ccc2Br)C[C@@H]1Br 2127214200 QGHKLTNFRKQHBN-ZETOZRRWSA-N 455.028 5.580 50 10 JKGE C[C@H](c1nscc1Br)N(C)c1cccc(Br)c1CBr 2130029414 DNILKULXYFLZMA-MRVPVSSYSA-N 469.040 5.760 50 10 JKGE BrCc1cc(Br)c(OC[C@H]2[C@H]3C[C@@H]4[C@H]2[C@@H]4C3)c(Br)c1 2134439458 WMHCQWHBLMPGFU-JVWRJRKNSA-N 450.996 5.387 50 10 JKGE Cc1cc(Br)c(C)c([C@H](Br)[C@@H]2C[C@@H]2[C@@H]2C[C@@H]2C)c1Br 2136366990 MURGNUQVXGZFAP-UJLPJRFOSA-N 451.040 6.557 50 10 JKGE Cc1cc(Br)c(C)c([C@H](Br)C(C(C)C)C(C)C)c1Br 2136379923 PJKHRIFDQVAXOG-MRXNPFEDSA-N 455.072 7.193 50 10 JKGE COc1cc(Cl)c([C@H](Br)c2cc(C)c(Br)s2)cc1Br 2137639050 CHYWLSSLIXNMDI-LBPRGKRZSA-N 489.454 6.728 50 10 JKGE Cc1ccc(Br)cc1[C@@H](Br)c1cc(Br)c(Cl)cc1C 2137642709 LNAJMXIHYCUQCL-OAHLLOKOSA-N 467.426 6.966 50 10 JKGE Cc1c(Br)ccc([C@H](Br)[C@@]23CCC[C@@H]2OCC3)c1Br 2138865600 MYCKKSTYFPBVND-AEGPPILISA-N 453.012 5.915 50 10 JKGE COc1cc(Cl)c([C@H](Br)c2c(Br)sc(C)c2C)cc1Cl 2157251548 LTMIUHHYKJGRPR-ZDUSSCGKSA-N 459.030 6.927 50 10 JKGE C[C@@]1(COc2c(Br)cc(Br)cc2CBr)CCCC1(F)F 2167935297 XDOPIHAGUFSAMR-ZDUSSCGKSA-N 476.981 6.311 50 10 JKGE CCOc1ccc(Br)cc1[C@H](Br)c1nc(CC)sc1Br 2169488854 WHVFXEGHTFFKRG-LBPRGKRZSA-N 484.051 6.114 50 10 JKGE CN(Cc1cn(C)nc1Br)c1c(CBr)ccc(Br)c1Cl 2173264411 KYRKBEHWCSMHKF-UHFFFAOYSA-N 486.433 5.130 50 10 JKGE O=C(c1cccc(Br)c1Br)N1C[C@H](Br)CCC12CCC2 2174534440 FJXVBPGRVUDNGD-SNVBAGLBSA-N 466.011 5.134 50 10 JKGE BrC[C@@]12CCC[C@@H](CN(Cc3cccc(Br)c3Br)C1)C2 2199680935 OGYFPTAAHGVDNK-WBMJQRKESA-N 466.055 5.599 50 10 JKGE Brc1ccc([C@@H](Br)c2cc3c(s2)CCCCC3)c(Br)c1 2203682831 BONRVWXYHXNVFY-MRXNPFEDSA-N 479.075 7.026 50 10 JKGE CN(C[C@H](Br)COCc1ccccc1)C(=O)Cc1ccc(Br)cc1Cl 2221700622 UYTHIESUDWZBQG-KRWDZBQOSA-N 489.635 5.084 50 10 JKGE Brc1ccc(Br)c([C@@H](Br)[C@@H]2C[C@H]3CCC[C@H](C3)C2)c1 2225317710 MOJDLVKCUXZFSL-LGSVPQMISA-N 451.040 6.864 50 10 JKGE Fc1cc(Br)c(Br)cc1[C@H](Br)c1cccc(Cl)c1Cl 2225635913 XUHSWLJDNAPESQ-GFCCVEGCSA-N 491.807 7.142 50 10 JKGE C[C@H](Cl)c1nc2cc(Br)c(Br)cc2n1C[C@@H]1C[C@H]1Br 2225696708 IITXAPWTPRBYQA-BIIVOSGPSA-N 471.418 5.645 50 10 JKGE Cc1cc(Br)c([C@H](Br)[C@@H](C)[C@@H]2CCCO2)c(C)c1Br 2227362948 RWGIDZCXHLJXIX-ONENECBXSA-N 455.028 6.080 50 10 JKGE Clc1cc(Br)c([C@H](Br)C23CCCC2CCC3)c(Cl)c1Cl 2232510903 OERNDMSCHNJIHY-MLRNSFOPSA-N 461.452 7.816 50 10 JKGE Clc1cc(Br)c([C@H](Br)[C@@H]2C[C@@H]2C2CCCC2)c(Cl)c1Cl 2232518071 ZESAEAHRJHDTAI-JRKPZEMJSA-N 461.452 7.672 50 10 JKGE CCOCc1cc(Br)c([C@@H](Br)c2cc3sccc3s2)s1 2233016910 LWBVGGOVMVAOJM-ZDUSSCGKSA-N 452.258 6.808 50 10 JKGE Cc1cc(Br)c([C@@H](Br)c2cc3sccc3s2)c(C)c1Br 2235605286 RDRARDJWPNDTID-HNNXBMFYSA-N 495.099 7.589 50 10 JKGE Cc1cc(Br)c([C@H](Br)[C@H]2CC23CC(F)(F)C3)c(C)c1Br 2235608904 MDZNCWZJEHNKNW-NOZJJQNGSA-N 472.993 6.700 50 10 JKGE Brc1cc(Br)cc([C@H](Br)c2ccc([C@H]3CCOC3)s2)c1 2240426723 LQBJWGJYKRWFRH-VFZGTOFNSA-N 481.047 6.261 50 10 JKGE Fc1cc(Br)c(Cl)cc1[C@@H](Br)Cc1cc(Cl)cc(Cl)c1 2240909074 HZQFJAHXDIIWMJ-NSHDSACASA-N 461.383 7.227 50 10 JKGE Fc1cc(Br)c(F)c(Br)c1[C@H](Br)CCC(F)(F)F 2259998157 ACOJZJYWCJTXMN-SCSAIBSYSA-N 460.860 6.268 50 10 JKGE COc1ccc([C@H](Br)c2cccc(C)c2Br)cc1I 2269542433 KAGBXBRFUDRLCW-HNNXBMFYSA-N 495.980 5.855 50 10 JKGE CO[C@@H]1CCC[C@@H]([C@H](Br)Cc2cc(Br)cc(Br)c2)C1 2277951962 BVHWFSIJWRDHPC-KCPJHIHWSA-N 455.028 5.723 50 10 JKGE COc1cc(Cl)c(Cl)cc1[C@H](Cl)c1cc(Br)cc(Br)c1 2279045822 FIFCOXJSBJYNKG-CQSZACIVSA-N 459.392 6.855 50 10 JKGE COc1cc(OC)c([C@H](Br)c2cc(Br)c(Cl)s2)cc1Cl 2279158005 KRRMAHQMGHZZIW-LBPRGKRZSA-N 461.002 6.319 50 10 JKGE CC(C)c1cc(Br)cc([C@@H](Br)Cc2cccc(Br)c2)c1 2280731654 QUFSWARVOIWBHH-KRWDZBQOSA-N 461.035 7.014 50 10 JKGE COc1ccc([C@H](Br)[C@@H]2CC[C@@]3(C2)CC3(F)F)cc1I 2284998762 MRCWVNWEDGTCNN-DDTOSNHZSA-N 457.096 5.561 50 10 JKGE C[C@@](CI)(OC[C@H]1CC[C@H](C)CC1)c1ccccc1Br 2287572871 BZZXYGWUEKIIPY-ZQIUZPCESA-N 451.186 5.942 50 10 JKGE O=C(c1csc(Br)c1Br)N1CCC2(CC[C@H](Br)C2)CC1 2287953781 YMKGZQSUTWTADP-VIFPVBQESA-N 486.067 5.443 50 10 JKGE C[C@@H]1CCC[C@@H]([C@H](Br)c2c(F)cc(Br)c(F)c2Br)CC1 2288343709 AUMVMPGCVQRUQS-KKFJDGPESA-N 475.009 7.142 50 10 JKGE Fc1cccc([C@@H](Br)c2c(F)cc(Br)c(F)c2Br)c1Cl 2288350028 WCNSYYCEQIPMHQ-SNVBAGLBSA-N 493.342 6.767 50 10 JKGE COc1cc(C)c(Cl)cc1[C@@H](Br)c1ccc(F)cc1I 2295299945 WSSJCLJQGXTAQS-HNNXBMFYSA-N 469.519 5.885 50 10 JKGE COc1ccc([C@H](Br)c2scc(Br)c2Br)c(OC)c1C 2295368274 TWKUZHLDMUDMJV-NSHDSACASA-N 485.035 6.083 50 10 JKGE COc1cc([N+](=O)[O-])ccc1NC(=O)C(C#N)=Cc1ccccc1OC(=O)c1cccc2ccccc12 2295459650 JPJPSBLWMKUSSR-UHFFFAOYSA-N 493.475 5.521 50 10 JKGE N#CC(=Cc1cn(Cc2cccc(C(F)(F)F)c2)c2ccccc12)C(=O)Nc1ccc([N+](=O)[O-])cc1 2295669873 DBMRCMBGFXFXHY-UHFFFAOYSA-N 490.441 6.162 50 10 JKGE N#CC(=CNc1ccc2c(C(F)(F)F)cc(=O)oc2c1)c1nc(-c2ccc(Cl)cc2)cs1 2295948594 SBRXZNLGJWAAKO-UHFFFAOYSA-N 473.863 6.565 50 10 JKGE Cc1ccccc1NC(=O)C(C#N)=Cc1c(Oc2ccc(C(C)(C)C)cc2)nc2ccccn2c1=O 2296719455 VKAGMYPFTFACNK-UHFFFAOYSA-N 478.552 5.638 50 10 JKGE Brc1ccc(OCc2ccccc2)c([C@H](Br)[C@@H]2CCCC23CC3)c1 2299527278 GINABTJHTBLHIH-ICSRJNTNSA-N 450.214 7.044 50 10 JKGE CCN(C[C@@](C)(CI)O[C@H]1CCCC[C@@H]2C[C@H]12)C(=O)OC(C)(C)C 2302879233 YTOMMIJJTWSQLD-PASDCYSWSA-N 451.389 5.032 50 10 JKGE CCOc1cc(C=C(C#N)C(=O)NCCc2c[nH]c3ccccc23)cc(Br)c1OC(C)C 2313556403 ZAPPIJHLSINBMK-UHFFFAOYSA-N 496.405 5.382 50 10 JKGE COc1ccc(C=C(C#N)C(=O)Nc2cccc(Cl)c2)cc1OCc1ccc(Br)cc1 2313631771 VIFDQWVGMDJIJE-UHFFFAOYSA-N 497.776 6.236 50 10 JKGE COc1ccc(NC(=O)C(C#N)=Cc2cc(Cl)ccc2OCc2ccc(Br)cc2)cc1 2313681048 AYRVPLLKHBVICA-UHFFFAOYSA-N 497.776 6.236 50 10 JKGE N#CC(=Cc1c(Oc2ccccc2F)nc2ccccn2c1=O)C(=O)Nc1cccc(Cl)c1Cl 2314533660 SRYSBTLYYAKOAC-UHFFFAOYSA-N 495.297 5.478 50 10 JKGE CCCOc1ccccc1C=C(C#N)C(=O)Nc1sc(C)c(-c2cccc(Cl)c2)c1C(=O)OC 2314795947 HLSOTCUZHYODBB-UHFFFAOYSA-N 495.000 6.498 50 10 JKGE COc1ccc([C@@H](Br)c2cnsc2Br)c(Br)c1Cl 2315642895 LWRUPNILTIDBEX-MRVPVSSYSA-N 476.415 5.814 50 10 JKGE C[C@@H](NC(=O)C(C#N)=CNc1cc(C(F)(F)F)cc(C(F)(F)F)c1)c1ccc2c(c1)CCCC2 2318462616 MAXHBZYSQHGQOA-CQSZACIVSA-N 481.440 6.300 50 10 JKGE CCCOc1ccc(-c2csc(NC(=O)C(C#N)=Cc3ccccc3)c2C(=O)OCC)cc1 2325311233 GUTLGQGEXWZRAW-UHFFFAOYSA-N 460.555 5.926 50 10 JKGE COc1cc(C=C(C#N)c2ncccc2[N+](=O)[O-])ccc1OCc1ccc(Br)cc1 2331059545 OJWCTMJHZBRFDO-UHFFFAOYSA-N 466.291 5.404 50 10 JKGE Cc1ccc(-c2csc(C(C#N)=C(O)CCCOc3ccc(Br)cc3Cl)n2)cc1 2331312691 OKYNJURCFXFQBS-UHFFFAOYSA-N 489.822 7.186 50 10 JKGE CCCOc1ccc(-c2csc(C(C#N)=C(O)[C@H](C)Oc3ccc(Cl)cc3Cl)n2)cc1 2331318732 VYTICDNDFCVWJL-AWEZNQCLSA-N 475.397 7.166 50 10 JKGE CCOC(=O)c1ccc(N2C[C@@H](C(O)=C(C#N)c3nc(-c4ccc(F)c(C)c4)cs3)CC2=O)cc1 2331320663 RURVTOPRTCWXFU-SFHVURJKSA-N 491.544 5.280 50 10 JKGE CCOc1ccc(OCC)c(-c2csc(C(C#N)=C(O)CCCOc3ccc(Cl)cc3)n2)c1 2331376557 SHILEZUOQWKQQO-UHFFFAOYSA-N 485.005 6.913 50 10 JKGE COc1cc(-c2csc(C(C#N)=C(O)c3ccc(N(C)C)c([N+](=O)[O-])c3)n2)c(OC)cc1Cl 2331377257 CMEVNMTVVQABSY-UHFFFAOYSA-N 486.937 5.405 50 10 JKGE COc1ccc(-c2csc(C(C#N)=C(O)[C@@H](C)Oc3ccc(Cl)cc3Cl)n2)cc1Cl 2331399462 OEJGGQGZSZLYOY-LLVKDONJSA-N 481.788 7.039 50 10 JKGE CCCCc1ccc(-c2csc(C(C#N)=Cc3ccc(OCc4ccc(C)cc4)c(OC)c3)n2)cc1 2331429402 UEKXTYKICYFHPV-UHFFFAOYSA-N 494.660 8.113 50 10 JKGE Clc1cc(CN2CC[C@@H]3CC[C@H](Br)[C@H]2C3)ccc1I 2333386625 FNRBQSKJYPIIKQ-ITDIGPHOSA-N 454.577 5.083 50 10 JKGE CC(C)C1([C@H](Br)c2c(Cl)cc(Br)c(F)c2Br)CCC1 2337087240 WJYONUZWUKDXHK-CYBMUJFWSA-N 477.437 7.266 50 10 JKGE C[C@@H]1CCO[C@H]1C[C@H](Br)c1c(Cl)cc(Br)c(F)c1Br 2337094748 SGWUJFLDIYDJCP-FWWHASMVSA-N 479.409 6.255 50 10 JKGE Clc1ccc(COCC2(CBr)CCCCC2)c(I)c1 2340098949 SPCNFOBFKDXINK-UHFFFAOYSA-N 457.577 5.807 50 10 JKGE C[C@@]1(C(F)(F)F)C[C@]1(CCl)Cc1ccc(I)c(Br)c1 2349863857 CAWMCQNTIVTUGZ-NEPJUHHUSA-N 467.494 5.794 50 10 JKGE Fc1cc(Br)c(Br)cc1[C@H](Br)[C@H]1C[C@@H](C(F)(F)F)C1 2352761253 QBAUIECHBQVYGW-LJNABYEQSA-N 468.908 6.375 50 10 JKGE FC(F)(F)c1ccc([C@@H](Cl)c2ccc(OCc3ccccc3)cc2Br)cc1 2361213202 BIUSMYMLSAAHOA-HXUWFJFHSA-N 455.701 7.375 50 10 JKGE Fc1c(Br)cc(Cl)c([C@H](Br)[C@H]2C[C@H]2C2CCCC2)c1Br 2362225724 WNFWSABRSDIWFG-MWODSPESSA-N 489.448 7.266 50 10 JKGE COc1c(Br)cc(Cl)c(C)c1[C@H](Br)c1c(Br)ncn1C 2362478945 QRFIICKKLNTHAO-JTQLQIEISA-N 487.417 5.400 50 10 JKGE CCN[C@H](c1c(C)cc(Br)c(OC)c1Br)[C@H]1C[C@H](Br)C1 2365183865 MJNRJBKVNKDHPG-BHDSKKPTSA-N 470.043 5.353 50 10 JKGE Cc1cc(Br)c(F)c(Br)c1[C@H](Br)c1cc2sccc2s1 2365186034 MWDVVCFEGLRNMO-GFCCVEGCSA-N 499.062 7.420 50 10 JKGE Fc1cc(OCc2ccc(Cl)cc2I)cc(Cl)c1CBr 2379792597 XPUPDJWWVOFWKP-UHFFFAOYSA-N 489.937 6.211 50 10 JKGE CC(C)Oc1ccc(C(=O)NNC(=O)c2sc3ccccc3c2Cl)cc1Br 14658782 QVBGJDXRZXCDNP-UHFFFAOYSA-N 467.772 5.179 50 10 JKGE C=CCNC(=O)/C(C#N)=C\c1cn(-c2ccccc2)nc1-c1ccc(OCc2ccc(F)cc2)cc1 33378983 DANIENKGBPKKNF-QJOMJCCJSA-N 478.527 5.467 50 10 JKGE COc1ccc(OCC(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@@H]3c2ccc(C(C)(C)C)cc2)cc1 38649759 VLGYRJSTXFFGEM-HHHXNRCGSA-N 484.552 5.195 50 10 JKGE CCCCOc1ccc(C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@@H]3c2ccc(Cl)cc2)cc1 38651359 SWWRFYAXBJCKKC-RUZDIDTESA-N 474.944 5.956 50 10 JKGE CC(C)(C)c1ccc(C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@H]3c2ccc([N+](=O)[O-])cc2)cc1 38654350 CRUFMYQHWBOZRH-DEOSSOPVSA-N 469.497 5.330 50 10 JKGE CCOc1cccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)COc4ccc(C(C)(C)C)cc4)ccc32)c1 38684939 PBGLGALQRMWTTN-MUUNZHRXSA-N 498.579 5.585 50 10 JKGE Cc1ccc2c(C)c(C(=O)Oc3ccc4c(c3)OC(N)=C(C#N)[C@@H]4c3ccc(Cl)cc3)oc2c1 38687769 WRIZTTATEZWVFH-XMMPIXPASA-N 470.912 6.140 50 10 JKGE Cc1c(C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@@H]3c2cccc(F)c2)oc2ccc(F)cc12 38700500 XOODYZKRBXCBAJ-HSZRJFAPSA-N 458.420 5.457 50 10 JKGE N#C/C(=C\c1ccc(-c2ccc(Cl)cc2)o1)C(=O)Nc1cc(C(F)(F)F)cc(C(F)(F)F)c1 39884886 UUQZYLMBHHNXDC-NTUHNPAUSA-N 484.783 7.183 50 10 JKGE Cc1cccc(NC(=O)c2oc3c(c2C)/C(=N/NC(=O)c2ccccc2Br)CCC3)c1C 40812828 YUKNHSLJYLZWHS-VFCFBJKWSA-N 494.389 5.690 50 10 JKGE Cc1c(Cl)cccc1NC(=O)c1oc2c(c1C)/C(=N/NC(=O)c1cccc3ccccc13)CCC2 40813556 XSWXMACGQNVCKW-UQRQXUALSA-N 485.971 6.426 50 10 JKGE Cc1cc(OC(=O)c2oc3c(c2C)/C(=N/NC(=O)Cc2ccccc2)CCC3)cc(C)c1Cl 40815904 JZPNWJKODKABGG-VFCFBJKWSA-N 464.949 5.477 50 10 JKGE Cc1ccc(COc2ccc(/C=N/NC(=O)COc3ccccc3-c3ccccc3)cc2)cc1 40911776 HQRWAHPVTUEEEJ-NDZAJKAJSA-N 450.538 5.770 50 10 JKGE O=C(N/N=C/c1ccccc1Br)c1ccc(OCc2ccc(Cl)cc2Cl)cc1 48573719 NPECPCODRIZOGS-BRJLIKDPSA-N 478.173 6.099 50 10 JKGE CCOc1cc(/C=C(\C#N)c2ccc([N+](=O)[O-])cc2)cc(Cl)c1OCc1ccccc1F 59536124 FRIAAGMJDUCHNR-YBFXNURJSA-N 452.869 6.429 50 10 JKGE Cc1cc([C@@H](Br)c2ccc(I)cc2)c(C)cc1Br 70472193 ODXLFTDYANZFIL-HNNXBMFYSA-N 479.981 6.155 50 10 JKGE CC1=C(C#N)C(=O)N(Cc2ccc3c(c2)OCO3)C(=O)/C1=C/c1ccc(-c2cccc(Cl)c2)o1 101339754 IVEMHNOHIAQUDB-RGVLZGJSSA-N 472.884 5.121 50 10 JKGE Cc1ccc(N/C(SCc2ccccc2Cl)=C(/C#N)c2nc3ccccc3s2)cc1C 102922737 LJDFSOJBGDATMZ-HIXSDJFHSA-N 462.043 7.804 50 10 JKGE CCOC(=O)c1ccc(N/C=C(/C#N)c2nc(-c3cc4cc(Cl)ccc4oc3=O)cs2)cc1 102934343 JAENGOSVXNKOLT-VBKFSLOCSA-N 477.929 5.723 50 10 JKGE Fc1ccc(Br)cc1[C@@H](Cl)c1cc(Br)sc1Br 104031744 SLLVEFNDHVEHNL-SNVBAGLBSA-N 463.391 6.503 50 10 JKGE O=c1[nH]c2cc(Br)c([C@@H](Br)c3cccc(Cl)c3Cl)cc2[nH]1 109884324 PCGVSWPITOOEEK-LBPRGKRZSA-N 450.945 5.410 50 10 JKGE C[C@@H](Cl)c1nc2ccc(Br)cc2n1-c1ccccc1I 115769911 SCQAVDTWQNDTMH-SECBINFHSA-N 461.528 5.692 50 10 JKGE Brc1cccc(C[C@@H](Br)c2ccc3cc(Br)ccc3c2)c1 159704429 RXOVIUAYVABOIL-GOSISDBHSA-N 469.014 7.044 50 10 JKGE COc1ccc(CN(Cc2ccc(OC)cc2)C(=O)N[C@@H]2CC(C)(C)C[C@@](C)(CN=C=O)C2)cc1 170289284 DERMVIMPNKZXPI-LXFBAYGMSA-N 479.621 5.336 50 10 JKGE CCOC(=O)/C(C#N)=C\c1ccc(OC(=O)COc2ccc(C)cc2C(C)(C)C)c(OCC)c1 206290241 MPPSEAJRZLTPOR-ZHZULCJRSA-N 465.546 5.146 50 10 JKGE Cc1ccc(Br)cc1[C@H](Br)c1cc(Br)cc2c1OCC2 228442790 PGHYFZCBJKFXQT-HNNXBMFYSA-N 460.991 5.939 50 10 JKGE COc1cc(C)c(Br)cc1[C@@H](Cl)c1cc(Br)sc1Br 234798187 FDTWYCOHABDSHY-GFCCVEGCSA-N 489.454 6.681 50 10 JKGE Fc1cc(F)c([C@@H](Br)c2cc(Br)sc2Br)cc1F 236224643 WWSJKOQTLPLSDM-SNVBAGLBSA-N 464.926 6.175 50 10 JKGE C[C@@H]1O[C@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@@H]1O[Si](C)(C)C 252008930 QQOFWFOBJUGLLJ-IGKNDFSCSA-N 452.889 5.243 50 10 JKGE O=C(CCC(=O)N(c1ccccc1)c1ccccc1)NN=Cc1cccc(OCc2ccccc2)c1 254819579 VNHZPTUAOQTFBR-UHFFFAOYSA-N 477.564 5.861 50 10 JKGE Cc1ccc(OCC(=O)NN=Cc2cc(N=Nc3cccc(C(F)(F)F)c3)ccc2O)cc1 254876534 QAQCZYCEKDEEAP-UHFFFAOYSA-N 456.424 5.664 50 10 JKGE CCC[C@@H](CC(C)C)[C@H](Br)c1cc(Br)c(C)cc1Br 308025273 GCUREDWVQOMHGX-LRDDRELGSA-N 455.072 7.418 50 10 JKGE CCOc1ccc(Br)cc1[C@H](Cl)c1sccc1I 386458983 FAHIKUKUGGVKPU-LBPRGKRZSA-N 457.558 5.842 50 10 JKGE ClCCc1nc2cc(Br)ccc2n1CCCN(Cc1ccccc1)Cc1ccccc1 390643743 LPPRQOUVCGSLQF-UHFFFAOYSA-N 496.880 6.673 50 10 JKGE FC1(F)CCCC[C@@H]1[C@H](Br)c1cc(Br)c(Br)s1 392911166 FJFIKKMKKLRWBC-MUWHJKNJSA-N 452.984 6.535 50 10 JKGE CC(C)(C)OC(=O)NCCN1c2ccccc2NC[C@H]1c1cccc(CO[Si](C)(C)C(C)(C)C)c1 616584979 OBCYZHCHKBJMBT-VWLOTQADSA-N 497.756 6.706 50 10 JKGE CC(C)(C)OC(=O)NCCN1CCCC[C@H](c2cccc(CO[Si](C)(C)C(C)(C)C)c2)C1 616628592 PDSSQPCXPSDBQB-QHCPKHFHSA-N 462.751 6.303 50 10 JKGE Cc1cc(C=NNC(=O)[C@H](C)SCc2ccccc2)c(C)n1-c1cc(Cl)cc(Cl)c1 725403200 SLXOOBRURCBSDF-KRWDZBQOSA-N 460.430 6.173 50 10 JKGE COc1cc(/C=C(\C#N)C(=O)Nc2ccccc2Cl)ccc1OCc1ccccc1Cl 1083890557 VVTQBIPDCCKNGL-LDADJPATSA-N 453.325 6.127 50 10 JKGE O=C1C(=NNC(=O)C23CC4CC(CC(C4)C2)C3)c2ccccc2N1Cc1cccc2ccccc12 1083898616 HLROWEKHRBFYFV-UHFFFAOYSA-N 463.581 5.423 50 10 JKGE O=C(Cc1ccc([N+](=O)[O-])cc1)NN=Cc1cccc(OCc2ccc(Cl)cc2Cl)c1 1084129843 GFRWVQWFFAVMCG-UHFFFAOYSA-N 458.301 5.173 50 10 JKGE Cc1cc(C=NNC(=O)Cc2cccc(C(F)(F)F)c2)c(C)n1-c1ccc(Br)cc1 1084302002 JDRGLOVSQOADID-UHFFFAOYSA-N 478.312 5.568 50 10 JKGE CC(C)(C)OC(=O)N1C[C@H](CI)[C@H](c2ccc(C(F)(F)F)cc2F)C1 1614627460 LTNQZVSUTASUSH-GXFFZTMASA-N 473.248 5.230 50 10 JKGE Cc1c(C(=O)Nc2cc(Cl)ccc2Cl)oc2c1C(=NNC(=O)COc1ccccc1)CCC2 1772748580 AZNBHMKZTLDXJO-UHFFFAOYSA-N 486.355 5.383 50 10 JKGE Cc1cc(C)c2c(CC(=O)NN=C3CCCc4oc(C(=O)N5CCCC[C@@H]5C)c(C)c43)coc2c1 1772751704 JZLWGXYLHQCIKO-SFHVURJKSA-N 475.589 5.365 50 10 JKGE CCOc1cc(C=NNC(=O)CSc2nc3ccccc3s2)ccc1OCc1ccccc1C 1772760463 OORBYCPMJIOLFA-UHFFFAOYSA-N 491.638 5.825 50 10 JKGE N#CSc1ccc(NC(=O)c2cccc(NC(=O)c3ccc(OCc4ccccc4)cc3)n2)cc1 1860566334 ODDXAZCOAVJTGT-UHFFFAOYSA-N 480.549 5.738 50 10 JKGE C=CCOc1ccccc1[C@H]1C(C#N)=C(N)Oc2c1c(-c1ccccc1)nn2Cc1cc(C)ccc1C 1865691659 XVAIMJCAEFCTLL-MHZLTWQESA-N 488.591 5.998 50 10 JKGE CCCOc1c(OC)cccc1[C@@H]1C(C#N)=C(N)Oc2c1c(-c1ccccc1)nn2Cc1ccccc1 1865694600 ZVBPBAMBPYQQKC-RUZDIDTESA-N 492.579 5.614 50 10 JKGE CCCc1nn(Cc2cccc(F)c2)c2c1[C@@H](c1ccc(N(CC)CC)cc1)C(C#N)=C(N)O2 1865701808 FYSYKRJGZFAGHD-DEOSSOPVSA-N 459.569 5.087 50 10 JKGE CCCc1nn(Cc2cccc(Cl)c2)c2c1[C@H](c1cc(Cl)c(O)c(OC)c1)C(C#N)=C(N)O2 1865707019 LWOOOXJXZAWJIJ-HXUWFJFHSA-N 485.371 5.123 50 10 JKGE CCOC(=O)c1c(-c2ccccc2)csc1NC(=O)/C(C#N)=C/c1cccc(Br)c1 1866131549 AIRQDFVMVYNMNO-GZTJUZNOSA-N 481.371 5.900 50 10 JKGE CCC[C@@H](NC(=O)C[C@@H](CC(C)C)c1ccc(F)cc1)C(=O)Nc1ccc(SC#N)cc1 1867097763 DZKDLZIHPRAKEO-AUSIDOKSSA-N 455.599 5.842 50 10 JKGE COc1ccc([C@@H]2c3ccccc3CCN2c2cc(Nc3ccc(SC#N)cc3)nc(C)n2)cc1 1868480407 NJTPOULCHQKVGR-MUUNZHRXSA-N 479.609 6.263 50 10 JKGE CCc1cccc(CC)c1N1C[C@H](/C(O)=C(\C#N)c2nc(-c3ccc4c(c3)CCCC4)cs2)CC1=O 1872745450 NJVKZGRQVXAATB-DDXGQXFKSA-N 497.664 6.659 50 10 JKGE CCCOc1ccc(-c2csc(/C(C#N)=C(O)/C=C/c3ccc(OCc4ccccc4)cc3)n2)cc1 1872749393 PFUYJGFCMPIWFE-BSRAUWFDSA-N 494.616 7.684 50 10 JKGE Cc1ccc(S(=O)(=O)NC/C(O)=C(\C#N)c2nc(-c3c(C)c(C)cc(C)c3C)cs2)cc1 1872754475 VALBGZLKESHGBQ-XDOYNYLZSA-N 467.616 5.123 50 10 JKGE CCOc1c(Br)cc(/C=C(\C#N)c2nc(-c3ccc(C(C)(C)C)cc3)cs2)cc1OC 1872792346 SUHADFVKCYZOON-WOJGMQOQSA-N 497.458 7.342 50 10 JKGE COc1ccc(-c2csc(/C(C#N)=C/c3ccc(OCc4ccc(C)cc4)cc3)n2)c(C)c1C 1872793394 XREYMONDXFUZSC-BUVRLJJBSA-N 466.606 7.387 50 10 JKGE CCN(Cc1ccccc1)c1ccc(/C=C(\C#N)c2nc(-c3ccc(Cl)s3)cs2)cc1 1872794559 IUCSUPSCGPJSQW-XSFVSMFZSA-N 462.043 7.616 50 10 JKGE CC(C)(C)OC(=O)N[C@@H](CBr)[C@H]1CCC2(CCN(C(=O)OC(C)(C)C)CC2)C1 1885098370 YAGIHKHDOURCQT-HOTGVXAUSA-N 461.441 5.092 50 10 JKGE Cl[C@H](c1cc(Br)cs1)c1cc(Br)ccc1OCc1ccccc1 1899876086 DLWALPIXKNOTQB-SFHVURJKSA-N 472.629 7.180 50 10 JKGE Cc1nsc(Br)c1[C@@H](Cl)c1sc(Cl)cc1I 1900921130 ZOVCAUAIENTNFF-SSDOTTSWSA-N 468.994 5.862 50 10 JKGE COc1ccc([C@H](Br)c2sc(Br)c(C)c2Br)s1 1922932240 JUCJRESTMRIYBV-VIFPVBQESA-N 461.038 6.136 50 10 JKGE CCCC[C@H](CC)[C@@H](Br)c1c(Br)sc(Br)c1Cl 1923049143 LCKOXFFGGXSHJF-IONNQARKSA-N 467.492 7.579 50 10 JKGE C[C@@H]1CCCC[C@@H]1[C@H](Br)c1c(Br)sc(Br)c1Cl 1923063321 YCKRNODPHFFCAE-FJXKBIBVSA-N 465.476 7.189 50 10 JKGE Cc1ccc(C)c(C[C@@H](Cl)c2c(Br)sc(Br)c2Br)c1 1924597258 ZVFXRPRNOCNUNW-SNVBAGLBSA-N 487.482 7.175 50 10 JKGE Clc1sc(Br)c(Cl)c1[C@H](Br)c1cscc1Br 1925617075 GWSNTIJSVNOXSI-ZCFIWIBFSA-N 485.875 7.126 50 10 JKGE Clc1cc([C@H](Br)c2csc(Br)c2Br)c(Cl)s1 1937735168 WUWMAGBKVKEPGW-LURJTMIESA-N 485.875 7.126 50 10 JKGE Brc1ccc([C@H](Br)c2nscc2Br)c(Br)c1 1994123424 YXDRLZPBGPLSKE-VIFPVBQESA-N 490.840 5.915 50 10 JKGE Brc1ccc(C[C@@H](Br)c2cccc(Br)c2Br)cc1 2031485692 SZTDVVLXCRSKHY-CYBMUJFWSA-N 497.850 6.653 50 10 JKGE C[C@H](Br)CC(C)(C)CNC(=O)c1csc(Br)c1Br 2032958440 DIOXJDNTWGPNDL-ZETCQYMHSA-N 462.045 5.203 50 10 JKGE COc1cc([C@H](Br)c2sc(Br)cc2C)ccc1Br 2072063559 RMLONVYRXMQKMW-LBPRGKRZSA-N 455.009 6.074 50 10 JKGE COc1cc(C)c([C@@H](Br)c2ccsc2Br)cc1Br 2078009027 DEIQXIUTJGRPNW-LBPRGKRZSA-N 455.009 6.074 50 10 JKGE Oc1c(Cn2nc(CBr)c(Br)c2C(F)(F)F)cccc1C(F)(F)F 2079229626 JDNNOHJNEUEULG-UHFFFAOYSA-N 482.016 5.332 50 10 JKGE N#CC(=C(Cl)c1ccc(Br)cc1I)c1cncs1 2086154631 WEGJMONQMSFUTO-UHFFFAOYSA-N 451.514 5.141 50 10 JKGE CCC[C@@H]1CC[C@@H](Br)[C@H](Cc2ccc(Br)cc2Br)C1 2092268466 XOPPXQZOGGCIES-OSAQELSMSA-N 453.056 6.734 50 10 JKGE O=C(N[C@H]1CCCCC[C@H]1Br)c1cccc(Br)c1Br 2092341205 YWNNQWRZFTUDRS-PWSUYJOCSA-N 454.000 5.038 50 10 JKGE C[C@@H](C1CC1)N(Cc1ccccc1)S(=O)(=O)c1cc(F)c(Cl)c(CBr)c1 2123270645 ZERNWPPKUSZVIH-ZDUSSCGKSA-N 460.796 5.363 50 10 JKGE CC[C@H](Br)CN(Cc1ccccc1)C(=O)c1cc(OC)c(OC)cc1Br 2132543171 KXQVJDQMBREGEC-HNNXBMFYSA-N 485.216 5.282 50 10 JKGE CC(C)(C)OC(=O)N1CCC(CI)(OC[C@@H]2C[C@@H]2C2CCCCC2)CC1 2135787744 DFKSZTOWUFPQBB-ZWKOTPCHSA-N 477.427 5.424 50 10 JKGE COc1c(C)cc(Br)cc1[C@H](Br)c1ccccc1I 2141661004 PXJMRWRIUDMRNJ-CQSZACIVSA-N 495.980 5.855 50 10 JKGE COc1cccc(C[C@@H](Cl)c2ccc(Br)cc2I)c1 2142279341 OVUHQFVRGORLFT-CQSZACIVSA-N 451.529 5.585 50 10 JKGE BrCc1cc(Br)c(OCCOC2CCSCC2)c(Br)c1 2144861081 XISZLVKENZCFAR-UHFFFAOYSA-N 489.067 5.398 50 10 JKGE BrC[C@@H]1CCC2(CCC2)CN1Cc1cccc(Br)c1Br 2152060686 JXXLGJMHPSMHLD-ZDUSSCGKSA-N 466.055 5.741 50 10 JKGE Cc1csc([C@H](Br)c2cc(Br)c3c(c2)CCCO3)c1Br 2157028622 AKFRFAKQHRSODD-CYBMUJFWSA-N 481.047 6.391 50 10 JKGE Cc1nn(C)c(Br)c1C[C@H](CBr)Cc1cccc(Br)c1 2185799835 ZJUZHXDSBFYJRX-GFCCVEGCSA-N 465.027 5.050 50 10 JKGE COc1cc(C)c(Br)cc1[C@H](Br)c1c(Br)nn(C)c1C 2188145872 FNMCBKAPFZHHAW-ZDUSSCGKSA-N 466.999 5.055 50 10 JKGE O=C(N[C@H](CBr)[C@H]1CC=CCC1)c1cc(Br)cc(Br)c1 2196157714 SIKXYYAIVTUSCN-IINYFYTJSA-N 466.011 5.061 50 10 JKGE COc1c(Br)cc(C)cc1[C@H](Br)c1cccc(Br)c1C 2203823034 HXZBAPBOWVOXBU-OAHLLOKOSA-N 463.007 6.321 50 10 JKGE CC[C@H]1[C@@H](c2sc(Br)c(Br)c2Br)CC[C@H]1Br 2212290338 XJEOUXOVOGDBFO-LYFYHCNISA-N 495.900 6.703 50 10 JKGE Fc1cc(Br)c(Br)cc1[C@H](Cl)c1csc(Br)c1 2213491835 JAORUXFSGNZMCV-LLVKDONJSA-N 463.391 6.503 50 10 JKGE CCC[C@@H](C(C)C)[C@@H](Br)c1c(Br)cc(Cl)c(Cl)c1Cl 2224316846 IDSTUSHAGPRKNL-QPUJVOFHSA-N 451.457 7.918 50 10 JKGE Fc1cc(Br)c(Br)cc1[C@H](Br)C[C@@H]1CCCOCC1 2225615244 FGRBMAFKWBXWFQ-MWLCHTKSSA-N 458.991 5.994 50 10 JKGE Cc1cccc([C@@H](Br)c2c(Br)cc(Cl)c(Cl)c2Cl)c1Cl 2232514461 VDNMKAMGWOYZKT-LLVKDONJSA-N 477.838 7.855 50 10 JKGE Cc1cc(Br)c([C@H](Br)[C@@]23COC[C@H]2C3(F)F)c(C)c1Br 2235597272 BKWYNNXISMFUGO-JIMOISOXSA-N 474.965 5.546 50 10 JKGE Cc1cc(Br)c([C@H](Br)[C@@H]2CC[C@H]3[C@H]2C3(F)F)c(C)c1Br 2235599691 NJVGFROJRNZQQZ-VILIVFPASA-N 472.993 6.556 50 10 JKGE BrC[C@H](C1CC1)N(Cc1ccccc1)c1nc2ccc(Br)cc2s1 2253382157 NMCZKRPKVWRXOB-QGZVFWFLSA-N 466.242 6.239 50 10 JKGE Cc1cc(F)c([C@H](Br)c2c(F)cccc2I)cc1Cl 2267735842 GETDXMBBDRALCW-AWEZNQCLSA-N 457.483 6.016 50 10 JKGE C=CC[C@@]1(CBr)CCN(Cc2cc(Br)ccc2Br)C1 2272130439 DJQKZLJDIHBZBX-HNNXBMFYSA-N 452.028 5.375 50 10 JKGE CC(C)(C)[C@@H]1C[C@H]1[C@@H](Br)c1c(F)cc(Br)c(F)c1Br 2272740475 RAGIUYOQXTVEOU-OPVBNTEQSA-N 460.982 6.608 50 10 JKGE Fc1cc(Br)c(F)c(Br)c1[C@H](Br)CC[C@H]1CCCO1 2272848840 AFKFZICUAMLPJX-HTQZYQBOSA-N 462.954 5.885 50 10 JKGE Brc1cc(Br)cc(C[C@@H](Br)CC2CC3(CCC3)C2)c1 2277967261 ZOOYYGBMPHWFPJ-CYBMUJFWSA-N 451.040 6.488 50 10 JKGE CN(Cc1ccccc1I)c1ccc(F)c(Cl)c1CBr 2280270900 OMDGKEQRTVBCIC-UHFFFAOYSA-N 468.535 5.615 50 10 JKGE COc1ccc([C@@H](Br)[C@@]2(C)CCCCC2(F)F)cc1I 2285011117 SPGJKHZPJIOVPO-ZIAGYGMSSA-N 459.112 5.951 50 10 JKGE BrC[C@H](CCc1ccccc1)Cc1ccc(Br)cc1Br 2286752396 DDYZFFYELAOYQR-CQSZACIVSA-N 461.035 6.398 50 10 JKGE Fc1cc(Br)c(F)c(Br)c1[C@@H](Br)C1CC2(C1)CC21CC1 2288362061 GIEZNYAWIRCDOB-MLUFTHPKSA-N 470.977 6.506 50 10 JKGE CS(=O)(=O)c1cscc1[C@@H](Br)c1cc(Br)c(Cl)cc1F 2288501532 SPVDYANHQHPVBP-LBPRGKRZSA-N 462.587 5.191 50 10 JKGE Brc1cc(Br)cc(C[C@H](Br)c2ccc3c(c2)CCO3)c1 2295265225 ORHAPSQROXUQCL-HNNXBMFYSA-N 460.991 5.825 50 10 JKGE COc1ccc(C=C(C#N)C(=O)Nc2ccc3c(c2)OCCO3)cc1COc1ccc(C(C)C)cc1 2295680570 DEXKGHDUVLUPMK-UHFFFAOYSA-N 484.552 5.714 50 10 JKGE CC(C=NNC(=O)CSc1nnc(SCc2ccc(Cl)cc2)s1)=Cc1ccco1 2296024875 XCDMWHWQLBBEBP-UHFFFAOYSA-N 465.025 5.374 50 10 JKGE CCCCOc1ccc(-c2nn(-c3ccccc3)cc2C=C(C#N)C(=O)NCCCOC)cc1C 2296538402 MTHOTGMHHWYUFR-UHFFFAOYSA-N 472.589 5.086 50 10 JKGE COc1ccc(-c2nn(CCC#N)cc2C=C(C#N)C(=O)Nc2cccc(C(F)(F)F)c2)cc1 2297381493 GFHFEXALGQAQHA-UHFFFAOYSA-N 465.435 5.037 50 10 JKGE CC[C@@](C)(C(F)F)[C@@H](Br)c1c(Br)sc(Br)c1Cl 2299838903 QGNNPNXTUSMUCK-QUBYGPBYSA-N 475.418 7.044 50 10 JKGE O[C@@H](c1c(Cl)cc(Br)c(F)c1Br)[C@H]1C[C@@H](Br)C1 2300207271 XUCFQZUSENSZOV-QWMRMABFSA-N 451.355 5.211 50 10 JKGE Cc1nn(C)c(Br)c1[C@@H](Cl)c1sc(Cl)cc1I 2301080136 AQPGXONCCPIIHD-MRVPVSSYSA-N 465.969 5.139 50 10 JKGE CCOc1cc(C=C(C#N)C(=O)Nc2ccc(F)cc2)ccc1OCc1ccc(Cl)cc1Cl 2313540742 RCDNOZARUDNYAV-UHFFFAOYSA-N 485.342 6.656 50 10 JKGE N#CC(=Cc1ccc(OCc2ccc(Cl)cc2)cc1)C(=O)Nc1cccc(C(F)(F)F)c1 2313676848 PNISXDFGHRLYHK-UHFFFAOYSA-N 456.851 6.483 50 10 JKGE Cc1c(Cl)cccc1NC(=O)C(C#N)=Cc1cccc(OCc2ccc(Br)cc2)c1 2313730522 ZZQLGSVXHIUKAJ-UHFFFAOYSA-N 481.777 6.536 50 10 JKGE Brc1ccc(OCc2ccccc2)c([C@@H](Br)C[C@@H]2CCC23CCC3)c1 2314460008 MOZMHSMCNJRVDY-PXNSSMCTSA-N 464.241 7.435 50 10 JKGE C[C@@H](C[C@@H](Br)c1ccc(OCc2ccccc2)cc1Br)CC(C)(C)C 2314499266 AQMOMNQXCOCCKX-OXJNMPFZSA-N 468.273 7.927 50 10 JKGE CC(C)([C@@H]1CCCO1)[C@H](Br)c1ccc(OCc2ccccc2)cc1Br 2314503042 OLTCHEHHJFQZSX-VQTJNVASSA-N 468.229 6.669 50 10 JKGE C=CCNC(=O)C(C#N)=C1S[C@@H](Cc2ccc(CCCC)cc2)C(=O)N1c1ccc(C(C)C)cc1 2314593735 SCNMRCLFJYQXNG-SANMLTNESA-N 487.669 5.881 50 10 JKGE CCCCCOc1ccc(C=C2C(=O)N(Cc3ccc(OC)cc3)C(=O)C(C#N)=C2C)cc1OC 2314616553 DKKMODKNVHLHGB-UHFFFAOYSA-N 474.557 5.065 50 10 JKGE CCOc1cc(C=C2C(=O)N([C@H](C)c3ccccc3)C(=O)C(C#N)=C2C)ccc1OCc1ccccc1 2314618055 GKCNMQAWUGFMOW-JOCHJYFZSA-N 492.575 6.018 50 10 JKGE Fc1c(Br)cc(Cl)c([C@H](Br)C2[C@@H]3COC[C@@H]23)c1Br 2315451550 QPGDYKWVJVTVMI-FJNYAOGASA-N 463.366 5.333 50 10 JKGE CCCCc1ccc(NC(=O)C(C#N)=CNc2cc(C(F)(F)F)cc(C(F)(F)F)c2)cc1 2324473792 GWLZCYKEGKORAE-UHFFFAOYSA-N 455.402 6.525 50 10 JKGE COc1ccc([C@H](C)NC(=O)C(C#N)=CNc2ccc(Cl)cc2C(F)(F)F)cc1OC 2325051599 DRWWDVIUSZDNRL-LBPRGKRZSA-N 453.848 5.073 50 10 JKGE COc1ccc(-c2csc(C(C#N)=C(O)[C@@H]3CC(=O)N([C@@H](C)c4ccccc4)C3)n2)cc1C 2331259322 PTYWFEIYAORJSR-FXAWDEMLSA-N 459.571 5.530 50 10 JKGE CCCOc1ccc(-c2csc(C(C#N)=C(O)CNC(=O)c3ccccc3)n2)cc1OCCC 2331293731 WBSZCMQOASHQJZ-UHFFFAOYSA-N 477.586 5.610 50 10 JKGE COc1ccc(C)cc1-c1csc(C(C#N)=C(O)[C@@H](C(C)C)N2C(=O)c3ccccc3C2=O)n1 2331322875 BJCJFIMSUUDTPJ-JOCHJYFZSA-N 473.554 5.241 50 10 JKGE CCOc1ccc(-c2csc(C(C#N)=C(O)CCCOc3ccc(C)cc3)n2)c(OCC)c1 2331389102 RUMMQKNQHMQMSC-UHFFFAOYSA-N 464.587 6.568 50 10 JKGE CN(c1ccc(CBr)cc1Br)[C@H]1C[C@@H]2C[C@H](OCc3ccccc3)C[C@H]12 2332001970 CQXXITDOJQNBMR-OZIGNCPNSA-N 479.256 6.164 50 10 JKGE COc1cccc([C@@H](Cl)c2ccc(OCc3ccccc3)cc2Br)c1Cl 2336048054 QRMLEBLIXHINQE-FQEVSTJZSA-N 452.175 7.018 50 10 JKGE CC(C)c1ccccc1[C@@H](Br)c1ccc(OCc2ccccc2)cc1Br 2336055329 ZEGSMFYPNMCLET-HSZRJFAPSA-N 474.236 7.636 50 10 JKGE Clc1ccc(C[C@@]2(CBr)CCCC23CCC3)cc1I 2337224423 ZDZVPHIWJHQKOR-MRXNPFEDSA-N 453.589 6.223 50 10 JKGE CC(C)CO[C@@H]1[C@@H](Br)C[C@@H]1Oc1cc(Br)cc(Br)c1 2338758008 ONRVNMSGOOPSPN-MELADBBJSA-N 457.000 5.167 50 10 JKGE CCOC1CC([C@@H](Br)c2c(C)cc(Br)c(F)c2Br)C1 2339653039 FIQWCZQKDYICJV-SHVIVCPWSA-N 458.991 5.910 50 10 JKGE COc1c(Br)cc(C)c([C@H](Br)[C@@H]2CC23CCC3)c1Br 2339656614 PLUZFSQJQOWPSQ-JOYOIKCWSA-N 453.012 6.155 50 10 JKGE CO[C@]1(C(F)F)C[C@H]([C@@H](Br)c2cc(Br)ccc2Br)C1 2343010901 VOGKZOYAIOUIFE-QUUYKZCZSA-N 462.954 5.708 50 10 JKGE Fc1c(Br)cc(Cl)c([C@@H](Br)[C@@]23CCCC[C@@H]2CC3)c1Br 2362238064 UHNOIEXRVKTCPA-KBOAJJQZSA-N 489.448 7.411 50 10 JKGE Fc1ccc([C@H](CBr)OCc2cc(Br)cc(Br)c2)cc1 2362240818 RFYRUZQCDOYOQK-HNNXBMFYSA-N 466.970 6.004 50 10 JKGE CC1(C)CCC(C)(C)[C@@H](Cc2ccc(Cl)c(I)c2)[C@@H]1Br 2362438405 PKGXOYVKEKADCQ-WFASDCNBSA-N 469.632 6.713 50 10 JKGE Cc1cc(Br)c(F)c(Br)c1[C@@H](Br)[C@H]1COC2(CCC2)C1 2365228071 MEPKUEKJYBPAMD-SKDRFNHKSA-N 471.002 6.054 50 10 JKGE CCc1ccc(CC)c([C@@H](Br)c2ccc(Cl)cc2I)c1 2365591999 JVMXYMJPYYHDDB-KRWDZBQOSA-N 463.584 6.554 50 10 JKGE C=CC[C@]1(CBr)CCCN(Cc2ccc(Cl)cc2I)C1 2366721197 HVIHZEIHSLVBLR-MRXNPFEDSA-N 468.604 5.498 50 10 JKGE ClC[C@]12CCC[C@H](CN(Cc3ccc(I)c(Br)c3)C1)C2 2377357063 KOKRSELEGXOZNX-XJKSGUPXSA-N 468.604 5.285 50 10 JKGE Cc1cc(Br)c(C(C)C)cc1[C@@H](Cl)c1scc(Br)c1Cl 2380938321 YBDDBRZBHKFUFQ-CYBMUJFWSA-N 457.058 7.687 50 10 JKGE Cc1cc(Cl)ccc1OCC(=O)NNC(=O)c1ccc(NC(=O)c2ccc(C(C)(C)C)cc2)cc1 12492051 KYBHNXZZHIKHER-UHFFFAOYSA-N 493.991 5.038 50 10 JKGE N#C/C(=C\c1cn(-c2ccccc2)nc1-c1cc2ccccc2o1)C(=O)Nc1ccc(Cl)cc1 12578291 ALEFMMLOFULAPT-XMHGGMMESA-N 464.912 6.485 50 10 JKGE Cc1ccc(-n2c([C@H](C)N(CCC(C)C)C(=O)CCl)nc3cc(Cl)ccc3c2=O)cc1 16427681 YBOBAROGUALBNQ-KRWDZBQOSA-N 460.405 5.522 50 10 JKGE CCN(CC)c1ccc(/C=N/NC(=O)C=C(Sc2ccccc2)Sc2ccccc2)c(O)c1 21325931 IOEMPQJIHOYMJK-ZXVVBBHZSA-N 477.655 6.115 50 10 JKGE CCOC(=O)c1ccc(-c2ccc(/C=C(/C#N)c3nc4ncc(Br)cc4[nH]3)o2)cc1 33579738 OKYISNKMBNZWKO-DHDCSXOGSA-N 463.291 5.221 50 10 JKGE COc1ccc(/C(=C\C=C(C#N)C#N)Sc2c(Cl)c(Cl)nc(Cl)c2Cl)cc1 33627795 FUBAYPNQEFQCFC-NTUHNPAUSA-N 457.169 6.811 50 10 JKGE C=C(C)[C@H]1CC=C(C)/C(=N\NC(=O)COc2c(C)cc(Br)cc2Br)C1 33959042 QEHWRHMAHRUEPA-AEWZPABSSA-N 470.205 5.303 50 10 JKGE CC(C)c1ccc(O[C@@H](C)C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@@H]3c2ccccc2F)cc1 38652270 OXGJFGFKUKBJCH-MRDQGFSESA-N 472.516 5.540 50 10 JKGE CCCCCOc1ccc(C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@@H]3c2ccc([N+](=O)[O-])cc2)cc1 38654752 VFFFWAHIMQHXMP-AREMUKBSSA-N 499.523 5.601 50 10 JKGE N#CC1=C(N)Oc2cc(OC(=O)c3ccco3)ccc2[C@H]1c1cccc(OCc2ccc(Cl)cc2)c1 38686726 KLERDLWCKJYWAT-AREMUKBSSA-N 498.922 5.949 50 10 JKGE O=C(NNC(=S)Nc1cccc(Cl)c1)c1ccc(-c2cc(C(F)(F)F)ccc2Cl)o1 39892584 KHPGCSNBLPXTOI-UHFFFAOYSA-N 474.291 5.904 50 10 JKGE O=C(NNC(=S)Nc1ccc(Cl)cc1)c1ccc(-c2ccc(Cl)c(C(F)(F)F)c2)o1 39892587 YHHPRAVWCPCXLW-UHFFFAOYSA-N 474.291 5.904 50 10 JKGE CCOC(=O)/C(C#N)=C/c1ccc(OC(=O)/C=C/c2ccc(Cl)cc2Cl)c(OCC)c1 40867226 DOYNEKBFZVFOHA-NRHDHWSESA-N 460.313 5.481 50 10 JKGE C=CCc1cc(/C=N\NC(=O)CC[C@@H](O)c2ccccc2)cc(OCC)c1OCc1ccccc1F 58892220 LBCOAZDEPIMNGI-LLLIGWKVSA-N 490.575 5.496 50 10 JKGE O=C(N/N=C1/C(=O)N(C(c2ccccc2)c2ccccc2)c2ccccc21)c1cccc2ccccc12 59158100 YBBFZRSNOBULAG-XPXRSFDGSA-N 481.555 6.110 50 10 JKGE CCOc1cccc(NC(=O)/C(C#N)=C/c2c(C)n(Cc3ccc([N+](=O)[O-])cc3)c3ccccc23)c1 59565507 IVACRNXNTCECAQ-RCCKNPSSSA-N 480.524 5.851 50 10 JKGE Br[C@@H](CCCCOCCCC[C@H](Br)Cc1ccccc1)Cc1ccccc1 100329451 JTOHXMNONITXQD-ZEQRLZLVSA-N 496.327 7.356 50 10 JKGE N#C/C(=C/Nc1cccc(Br)c1)c1nc(-c2ccc(Cl)cc2Cl)cs1 100393103 MDYVXBXKMWLEIK-LUAWRHEFSA-N 451.176 6.856 50 10 JKGE CCOc1ccc(N2C(=O)[C@H](Cc3cccc(C)c3)S/C2=C(/C#N)C(=O)Nc2cccc(C)c2)cc1 101245678 MPXMISDJQAJFNW-HFVAWESISA-N 497.620 5.767 50 10 JKGE CC1=C(C#N)C(=O)N(C[C@H]2CCCO2)C(=O)/C1=C/c1ccc(OCc2ccc(Cl)cc2Cl)cc1 101337357 PFTROVWLBZRPGU-FFCJBUTOSA-N 497.378 5.344 50 10 JKGE CCOC(=O)c1c(N/C=C(\C#N)c2nc(-c3ccc(OC)c(OC)c3)cs2)sc(C(C)=O)c1C 103633316 YTEFOWRSGXQWNT-LFIBNONCSA-N 497.598 5.553 50 10 JKGE BrC[C@@H](Cc1ccc(I)cc1)c1ccccc1Br 118665144 VGFDZBUBOZVNMQ-GFCCVEGCSA-N 479.981 5.775 50 10 JKGE COc1ccc([C@@H](Br)c2cc(Br)c(Br)s2)cc1OC 128256226 BBUFQRSOZGZYOY-GFCCVEGCSA-N 471.008 5.775 50 10 JKGE Brc1cc([C@H](Br)[C@@H]2CC[C@@H]3CCCC[C@@H]3C2)sc1Br 168259982 OAKXXJMZZRXGFP-ICUOPCATSA-N 471.096 7.316 50 10 JKGE CC1=C(C#N)C(=O)N(C)C(=O)/C1=C\c1cn(-c2ccccc2)nc1-c1ccc(OCC(C)C)c(C)c1 214204600 ABRFRQBBJMBKQH-OYKKKHCWSA-N 480.568 5.105 50 10 JKGE Cc1cc(Br)c([C@H](Br)c2cccc(Br)c2Cl)s1 228453470 OZQSRHHQAHSWQD-SNVBAGLBSA-N 459.428 6.719 50 10 JKGE COCCOc1ccc([C@H](Br)c2ccc(Br)o2)cc1Br 229016408 QXVOLQDRIRVLAK-AWEZNQCLSA-N 468.967 5.314 50 10 JKGE Clc1cc([C@H](Br)Cc2nc3ccccc3s2)ccc1I 232386599 AFGSSUJOUKPSIC-SNVBAGLBSA-N 478.580 6.233 50 10 JKGE Brc1ccc(I)cc1[C@H](Br)c1ccccc1 232483602 HRWDYCRXJUHHRM-CYBMUJFWSA-N 451.927 5.538 50 10 JKGE Clc1ccc([C@@H](Br)c2cc(Cl)c(Br)s2)c(Br)c1 236062127 RWLARWJFMVPJKU-SNVBAGLBSA-N 479.846 7.064 50 10 JKGE O=C(c1ccc(Br)c(C(F)(F)F)c1)N(CCBr)Cc1ccccc1 303399277 WMCYAGHPZQPDRU-UHFFFAOYSA-N 465.107 5.505 50 10 JKGE Fc1cc2c(cc1Br)nc(CCCl)n2C[C@@H]1CCN(Cc2ccccc2)C1 312608110 GKUVASXKMBKLBG-MRXNPFEDSA-N 450.783 5.241 50 10 JKGE Clc1cccc([C@@H](Br)c2cc(Cl)c(Cl)c(Cl)c2Cl)c1Cl 404663868 SWHBBAWFAKLSJS-SECBINFHSA-N 453.805 8.091 50 10 JKGE FC(F)(F)c1ccc(C[C@@H](Br)c2scc(Br)c2Br)cc1 705493213 SUHUNMWYQUAMRW-SECBINFHSA-N 492.980 6.971 50 10 JKGE Clc1ccccc1C[C@@H](Cl)c1ccc(I)c(Br)c1 721615574 RUIRTMUXBOIXKU-CYBMUJFWSA-N 455.948 6.230 50 10 JKGE CC(C)(C)c1ccc(C(=O)NN=Cc2ccc(OCc3ccc(Cl)cc3Cl)cc2)cc1 1084072576 DOICNBSFRGQOML-UHFFFAOYSA-N 455.385 6.634 50 10 JKGE COc1ccc(/C(C#N)=C/c2cccc(OC(=O)c3cc(OC)c(OC)c(OC)c3)c2)cc1OC 1615067250 LBBFAIKLZIEDAX-RGVLZGJSSA-N 475.497 5.013 50 10 JKGE CC[C@H](C)NC(=O)c1oc2c(c1C)C(=NNC(=O)C(c1ccccc1)c1ccccc1)CCC2 1772747466 CBAALMFDWZOVBU-SFHVURJKSA-N 457.574 5.105 50 10 JKGE COc1cc(C=NNC(=O)COc2ccc(Cl)cc2C)ccc1OCc1ccc(C)cc1 1772754699 QFCNBUVQJIKKLG-UHFFFAOYSA-N 452.938 5.074 50 10 JKGE CCOC(=O)c1c(NC(=O)C(=O)Nc2ccc(SC#N)cc2)sc(C)c1-c1ccc(F)cc1 1860746845 HFXGWPKIHZJRIB-UHFFFAOYSA-N 483.546 5.190 50 10 JKGE N#CC1=C(N)Oc2c(c(-c3ccccc3)nn2-c2ccc(Br)cc2)[C@@H]1c1ccccc1F 1865680977 BMPYEYWKRCCGCX-OAQYLSRUSA-N 487.332 5.659 50 10 JKGE Cc1ccc(-n2nc(C(F)(F)F)c3c2OC(N)=C(C#N)[C@@H]3c2ccc(Cl)cc2Cl)cc1 1865684894 ANSREAXGGOHCGO-INIZCTEOSA-N 465.262 5.725 50 10 JKGE Cc1nn(Cc2ccc(Cl)c(Cl)c2)c2c1[C@H](c1cc(Cl)ccc1O)C(C#N)=C(N)O2 1865690031 ZKXIBKFTTQWFKW-LJQANCHMSA-N 461.736 5.124 50 10 JKGE COc1ccc(-n2nc(C)c3c2OC(N)=C(C#N)[C@@H]3c2ccc(OCc3ccc(Cl)cc3)cc2)cc1 1865694727 ACOQCKDHJAEEEG-SANMLTNESA-N 498.970 5.640 50 10 JKGE CCCOc1ccccc1[C@@H]1C(C#N)=C(N)Oc2c1c(C(F)(F)F)nn2Cc1ccccc1Cl 1865702915 IANLBWHLWMUVMO-LJQANCHMSA-N 488.897 5.611 50 10 JKGE CCn1nc(-c2ccc(OC)cc2)c2c1OC(N)=C(C#N)[C@H]2c1ccc(OCc2ccccc2C)cc1 1865703698 ZNZOKPSMKDMMMA-AREMUKBSSA-N 492.579 5.684 50 10 JKGE N#CC1=C(N)Oc2c(c(C(F)(F)F)nn2-c2cccc3ccccc23)[C@@H]1c1ccccc1[N+](=O)[O-] 1865710241 RUGYBGJSRVOTMT-LJQANCHMSA-N 477.402 5.171 50 10 JKGE Cc1ccccc1[C@@H]1C(C#N)=C(N)Oc2c1c(C(F)(F)F)nn2-c1ccc(Cl)c(Cl)c1 1865712873 KCJYEYUVYRRACN-MRXNPFEDSA-N 465.262 5.725 50 10 JKGE CC(C)c1nc(Nc2ccc(SC#N)cc2)cc(N2CCN3CCc4c(Cl)cccc4[C@@H]3C2)n1 1868231632 MUEXELCOFYBBOG-QHCPKHFHSA-N 491.064 5.990 50 10 JKGE COc1cccc(CCN2CCN(c3cc(Nc4ccc(SC#N)cc4)nc(C(C)C)n3)CC2)c1 1868231657 NRIRCUOWNRYSHO-UHFFFAOYSA-N 488.661 5.290 50 10 JKGE COc1cccc(/C=C(\C#N)c2nc3ccccc3n2C)c1OCc1ccc(Cl)c(Cl)c1 1872726772 JJIWUFLUDJTSQL-QGOAFFKASA-N 464.352 6.532 50 10 JKGE COc1cc(/C=C(\C#N)c2ccc(Cl)cc2F)ccc1OCc1ccc(Br)cc1 1872729536 PQYFUOFGCZHGHM-LICLKQGHSA-N 472.741 6.893 50 10 JKGE N#C/C(=C(/O)Cc1ccc(Cl)c(Cl)c1)c1nc(-c2ccc(Cl)cc2Cl)cs1 1872745002 SQMPLWPCAVJNLP-AQTBWJFISA-N 456.181 7.459 50 10 JKGE N#C/C(=C(/O)CCCCCNC(=O)c1ccccc1)c1nc(-c2ccccc2Cl)cs1 1872746244 ZGCVLVUGDVYAKI-QOCHGBHMSA-N 451.979 6.247 50 10 JKGE N#C/C(=C(O)\C=C\c1ccc(OCc2ccccc2Cl)cc1)c1nc(-c2ccccc2)cs1 1872748498 ZXACIBZNXQDWGN-JKOZVUPWSA-N 470.981 7.549 50 10 JKGE CC[C@H](C)[C@@H](/C(O)=C(\C#N)c1nc(-c2cccc3ccccc23)cs1)N1C(=O)c2ccccc2C1=O 1872752114 NVXLYBGGRCTQJD-OHEPZBQHSA-N 493.588 6.467 50 10 JKGE CC(C)CN1C(=O)c2ccc(/C(O)=C(\C#N)c3nc(-c4cccc5ccccc45)cs3)cc2C1=O 1872752790 SFZBLMRKLUIKRY-BZZOAKBMSA-N 479.561 6.165 50 10 JKGE CCCCCCCOc1ccc(-c2csc(/C(C#N)=C(\O)c3cc4ccccc4oc3=O)n2)cc1 1872753312 QUKRPYKQRQFCTL-RWEWTDSWSA-N 486.593 7.216 50 10 JKGE COc1c(Cl)cc(Cl)cc1-c1csc(/C(C#N)=C(O)/C=C/c2ccc(Cl)c(Cl)c2)n1 1872754213 IMSRSELJGDYGNP-VQXGKATLSA-N 498.218 7.938 50 10 JKGE COc1cc(-c2csc(/C(C#N)=C(\O)Cc3cc(Cl)ccc3Cl)n2)c(OC)cc1Cl 1872754674 DEBPGUCTDXEFNT-JXAWBTAJSA-N 481.788 6.823 50 10 JKGE CCOc1ccc(OCC)c(-c2csc(/C(C#N)=C(\O)CCCOc3ccc(C)cc3)n2)c1 1872754822 KOMJBGNHOUPSHO-GYHWCHFESA-N 464.587 6.568 50 10 JKGE COc1ccc(-c2csc(/C(C#N)=C(\O)c3cc([N+](=O)[O-])cc([N+](=O)[O-])c3)n2)cc1Cl 1872757399 DFBAJNGEZMSIPP-JXAWBTAJSA-N 458.839 5.238 50 10 JKGE COc1cc(C)c(-c2csc(/C(C#N)=C(\O)COc3ccc(C)cc3C(C)(C)C)n2)cc1C 1872758341 VZEQMPMOMHSOQL-ATJXCDBQSA-N 462.615 6.913 50 10 JKGE COc1ccc(-c2csc(/C(C#N)=C(\O)[C@H](C)Oc3ccc(C(C)C)cc3)n2)c2ccccc12 1872758597 HZDVPWFFAUDHGE-OOJFRLDISA-N 470.594 7.355 50 10 JKGE CCOc1cc(/C=C(\C#N)c2nc(-c3ccc(F)cc3F)cs2)cc(Br)c1O 1872784286 IKPNZDGRMDTIBI-LFYBBSHMSA-N 463.303 6.019 50 10 JKGE CCCCCCOc1ccc(/C=C(\C#N)c2nc(-c3ccc4c(c3)OCO4)cs2)cc1OC 1872792291 QEZRCQFKDYJJIN-UDWIEESQSA-N 462.571 6.571 50 10 JKGE Clc1ccc(I)cc1CN(CCCBr)Cc1ccccc1 1893660667 BCBXKIQXDZOFRX-UHFFFAOYSA-N 478.599 5.732 50 10 JKGE Cc1sccc1[C@@H](Br)c1cc(Br)ccc1OCc1ccccc1 1899863726 POTOJEWBFFSDSX-LJQANCHMSA-N 452.211 6.882 50 10 JKGE CC(C)(C)O[C@H]1C[C@@H]([C@@H](Br)c2cc(Br)sc2Br)C1 1913999399 RCTZBLGCLFJRCX-VHSKPIJISA-N 461.057 6.303 50 10 JKGE Clc1cccc([C@@H](Br)c2sc(Br)cc2Br)c1Cl 1922936504 VVNCAURWFCRLME-SECBINFHSA-N 479.846 7.064 50 10 JKGE Clc1c(Br)sc(Br)c1[C@H](Br)C1[C@@H]2[C@H]3CC[C@@H](C3)[C@@H]12 1923037802 FSXPPIFQSGKPDZ-WHSPXTGCSA-N 475.471 6.655 50 10 JKGE Clc1c(Br)sc(Br)c1[C@H](Br)[C@H]1C[C@@H]1c1ccccc1 1923065540 DPELMOBGZWKTFV-WCABBAIRSA-N 485.466 7.166 50 10 JKGE Fc1cccc(Cl)c1C[C@H](Cl)c1c(Br)sc(Br)c1Cl 1923066984 XHCQDWZHZUWTSM-ZETCQYMHSA-N 467.412 7.242 50 10 JKGE COC1(C[C@H](Br)c2c(Br)sc(Br)c2Br)CC1 1924615409 AKMSRFUUSIPNPJ-YFKPBYRVSA-N 497.872 6.041 50 10 JKGE CCN(C[C@](C)(CI)OCC(C)(C)C(F)(F)F)C(=O)OC(C)(C)C 1945433977 OSPIHVBFYABUNB-HNNXBMFYSA-N 467.310 5.042 50 10 JKGE C[C@H]1CCN(Cc2ccccc2)CCN1c1c(CBr)ccc(Br)c1Cl 2036845150 OAYHCDNZYXYMKF-HNNXBMFYSA-N 486.679 6.098 50 10 JKGE Cc1c([C@@H](Cl)c2c(Br)sc(Br)c2Cl)nn(C)c1Br 2049256355 RUGXHYFBEUDKPA-YFKPBYRVSA-N 497.865 6.059 50 10 JKGE COc1cc(C)c([C@@H](Br)c2cc(Br)sn2)cc1Br 2078004115 VFNNISBRWZJDIE-GFCCVEGCSA-N 455.997 5.469 50 10 JKGE Cn1nc([C@@H](Br)c2ccc(Br)cc2Br)c(Cl)c1Cl 2083323791 YCVTXSAYIUMFTJ-QMMMGPOBSA-N 477.809 5.736 50 10 JKGE CCOc1ccc([C@H](Br)c2cc(Cl)ccc2I)s1 2086383090 ZGPVRRQTEIFLBJ-CYBMUJFWSA-N 457.558 5.889 50 10 JKGE BrCc1cc(Br)cc(Br)c1OCCS[C@H]1CCOC1 2092688545 DVJYABMZDGOMMK-NSHDSACASA-N 475.040 5.007 50 10 JKGE Clc1cc(OCc2ccc(Br)cc2Br)ccc1CBr 2096975025 OOFWHUIXQOMCEF-UHFFFAOYSA-N 469.398 6.339 50 10 JKGE Cc1c(Br)sc([C@H](Br)[C@H]2CCCCCC2(F)F)c1Br 2108661331 FNGQEXWTOWOVNU-PSASIEDQSA-N 481.038 7.233 50 10 JKGE C[C@@H](Cl)c1nc2cc(Cl)c(Br)cc2n1[C@H](C)CN(C)Cc1ccccc1 2112691099 OCGCNXMGIUNCGA-ZIAGYGMSSA-N 455.227 6.445 50 10 JKGE ClC[C@H](Cc1cc(Br)ccc1Br)c1cccc(Br)c1 2118523634 AQRQEVXCZDLRHZ-LBPRGKRZSA-N 467.426 6.539 50 10 JKGE Cc1nn(C)c2sc([C@@H](Br)c3cc(Br)sc3Br)cc12 2118609785 BLTPZNLDMUEGAH-JTQLQIEISA-N 485.064 6.014 50 10 JKGE CCC[C@@H]1CN(Cc2cc(Cl)ccc2I)C[C@H]1CBr 2140788060 PEXZUIJFIFETPO-DGCLKSJQSA-N 456.593 5.188 50 10 JKGE Clc1cc2c(cc1[C@@H](Cl)c1csc(Br)c1Br)OCCO2 2150341629 HRKKXMPHIXHFKA-GFCCVEGCSA-N 458.986 6.026 50 10 JKGE Cc1cc(Br)c([C@H](Cl)c2cc(Br)c(Cl)cc2F)cc1Cl 2154120916 IYAIVNACSWXDSB-AWEZNQCLSA-N 461.383 7.294 50 10 JKGE Fc1ccc(I)cc1[C@H](Br)c1cc(F)c(F)c(F)c1F 2169664974 WDAAGCZSIZIGDX-JTQLQIEISA-N 462.981 5.471 50 10 JKGE Clc1cccc(C[C@H](CBr)Cc2cc(Br)ccc2Br)c1 2175147257 MHLQYJJLXCSPQL-LBPRGKRZSA-N 481.453 6.661 50 10 JKGE FCCOc1ccccc1[C@H](Br)c1cc(Br)ccc1Br 2189519018 UXHDEHBFKMEWFZ-HNNXBMFYSA-N 466.970 6.044 50 10 JKGE BrCc1cc(Br)cc(Br)c1OC[C@@H]1C[C@@]12CCCOC2 2198174601 ABTROMVNEIUMOV-XHDPSFHLSA-N 469.011 5.302 50 10 JKGE Cc1c(Br)ccc([C@H](Br)C23CC(C)(C2)OC3(C)C)c1Br 2203683968 FWCIOVMCCUQQTR-JEYLPNPQSA-N 467.039 6.304 50 10 JKGE Fc1cc(Br)c(Br)cc1[C@H](Br)[C@@H]1C[C@@H]2CC[C@H](C1)O2 2225620131 QZKGOKUUNHEVFM-FJBRNLEUSA-N 456.975 5.744 50 10 JKGE COc1cc([C@@H](Br)c2csc(I)c2)c(OC)cc1C 2228537948 HJEGBWYJMIYBCB-AWEZNQCLSA-N 453.139 5.163 50 10 JKGE Clc1cc(Br)c([C@H](Br)C2CCCCCCC2)c(Cl)c1Cl 2232508970 BDDYQPBRUOKPGG-CYBMUJFWSA-N 463.468 8.206 50 10 JKGE CCn1cc([C@@H](Cl)c2c(Br)cc(C)c(Br)c2C)nc1Br 2235610276 QBTSDAVEBYIECQ-CYBMUJFWSA-N 485.445 6.136 50 10 JKGE Clc1cc([C@@H](Cl)c2ccc3c(c2Br)CCO3)ccc1I 2238071162 LQBZHBHUZADLPD-OAHLLOKOSA-N 483.958 5.970 50 10 JKGE CC(C)[C@@H](CBr)N(Cc1ccccc1)C(=O)c1scc(Br)c1Cl 2242667520 XVTLTYOTJULJIZ-CQSZACIVSA-N 479.665 6.226 50 10 JKGE Brc1ccc([C@H](Br)Cc2cnsc2)c(I)c1 2242934593 BNYWQXNFVLEHEQ-SNVBAGLBSA-N 472.971 5.189 50 10 JKGE Cc1cc(Br)c([C@H](Br)c2cccc(Cl)c2Br)s1 2248096182 LVLUNPXBIKXYOU-LLVKDONJSA-N 459.428 6.719 50 10 JKGE Brc1cc([C@@H](Br)C[C@H]2CCCCC23CC3)c(Br)s1 2253876369 WNSDRJUOGVNTBK-KOLCDFICSA-N 457.069 7.070 50 10 JKGE COc1cc(C)c(Cl)cc1[C@H](Br)c1csc(I)c1 2263460898 OVLWKYJNDLPSFA-CYBMUJFWSA-N 457.558 5.807 50 10 JKGE Clc1cccc(Br)c1[C@@H](Cl)c1cc2sc(Br)cc2s1 2278105319 GEYXTSZNCLXFKK-ZDUSSCGKSA-N 457.039 7.469 50 10 JKGE O=C(c1scc(Br)c1Br)N1CCC(CCCCBr)CC1 2283124476 HLCJZOXPWVYGLD-UHFFFAOYSA-N 488.083 5.691 50 10 JKGE COc1c(C)cc(Br)cc1[C@H](Cl)c1ccc(Cl)c(I)c1 2283568356 MTRPZBBDQWEHDX-CQSZACIVSA-N 485.974 6.352 50 10 JKGE C[C@H]1C[C@@H]1CCCCCOc1c(Br)cc(CBr)cc1Br 2284853015 KNNKXGMRNORPLR-AAEUAGOBSA-N 469.055 6.702 50 10 JKGE Cc1ccc([C@H](Br)c2c(F)cc(Br)c(F)c2Br)c(F)c1 2288373414 IVHFPRWHUGIVQA-LBPRGKRZSA-N 472.924 6.422 50 10 JKGE Cc1cc(Cl)ccc1[C@H](Br)c1c(F)cc(Br)c(F)c1Br 2288376841 QJWCFTVYYZNLDW-LBPRGKRZSA-N 489.379 6.936 50 10 JKGE COc1c(Br)cc(Cl)c(C)c1[C@@H](Br)c1cn(C)nc1Br 2295263645 WGHQPIDPSDLGNG-NSHDSACASA-N 487.417 5.400 50 10 JKGE N#CC(=Cc1ccc(COc2cccc(C(F)(F)F)c2)o1)C(=O)Nc1ccccc1[N+](=O)[O-] 2295680574 KXPJBLIRAPBXSM-UHFFFAOYSA-N 457.364 5.331 50 10 JKGE N#CC(C(=O)NCCc1ccccc1)=C1S[C@H](Cc2ccc(Cl)cc2)C(=O)N1c1ccccc1 2296507222 YVVWARJMHCRGNS-XMMPIXPASA-N 488.012 5.125 50 10 JKGE CCOC(=O)c1c(NC=C(C#N)c2nc(-c3ccc(C)cc3C)cs2)sc(C(=O)OC)c1C 2296790149 SDZYTEVQWKALIE-UHFFFAOYSA-N 481.599 5.737 50 10 JKGE N#CC(=Cc1ccc(OCc2ccccc2F)c(Br)c1)C(=O)Nc1ccc(O)cc1 2297624586 FVPBUJYHTGCDJG-UHFFFAOYSA-N 467.294 5.418 50 10 JKGE Brc1ccc(OCc2ccccc2)c([C@H](Br)CC[C@H]2CCOC2)c1 2299501884 RPCQAINPBJPLPJ-QFBILLFUSA-N 454.202 6.281 50 10 JKGE BrC[C@]1(Cc2ccc(I)c(Br)c2)C[C@@H]2C[C@@H]2C1 2306227471 NNLXFSXNYLPOIY-YABSGUDNSA-N 469.986 5.407 50 10 JKGE Cc1ccc(COc2ccc(C=C(C#N)C(=O)Nc3ccc(C)cc3)cc2Br)cc1 2313567612 IWBGGIWHUFONMN-UHFFFAOYSA-N 461.359 6.191 50 10 JKGE Cc1ccc(NC(=O)C(C#N)=Cc2ccc(OCc3ccc(I)cc3)cc2)cc1 2313568980 ZYVZHLKJWGPVJH-UHFFFAOYSA-N 494.332 5.724 50 10 JKGE CCOc1ccc(NC(=O)C(C#N)=Cc2cc(Cl)ccc2OCc2cccc(F)c2)cc1 2313724699 UVDXRZSUMVFROM-UHFFFAOYSA-N 450.897 6.002 50 10 JKGE CC(=CC#N)N1C(=O)c2ccc(C(=O)Nc3ccc(-c4nc5cc(Cl)ccc5[nH]4)cc3)cc2C1=O 2313811583 SWFNWLGHWILALL-UHFFFAOYSA-N 481.899 5.159 50 10 JKGE O=S1(=O)CCCC[C@H]1[C@@H](Br)c1ccc(OCc2ccccc2)cc1Br 2314448734 KBXIQCPTRMVURY-OALUTQOASA-N 488.241 5.431 50 10 JKGE CC1=C(C#N)C(=O)N(C2CCCC2)C(=O)C1=Cc1ccc(-c2ccc(Br)cc2)o1 2314616738 IRRXWDLRNWQVDK-UHFFFAOYSA-N 451.320 5.244 50 10 JKGE CCCCOc1ccc(C=C2C(=O)N(CCc3ccccc3)C(=O)C(C#N)=C2C)cc1OCC 2314617235 UICNRGWSIVNHOV-UHFFFAOYSA-N 458.558 5.099 50 10 JKGE CC1=C(C#N)C(=O)N(Cc2cccnc2)C(=O)C1=Cc1ccc(-c2ccc(Cl)c(Cl)c2)o1 2314618709 SFCKDBAHHOPJER-UHFFFAOYSA-N 464.308 5.441 50 10 JKGE COc1cc(C=C(C#N)c2ccc(Cl)cc2)ccc1OC(=O)c1cc([N+](=O)[O-])ccc1Cl 2314722833 WMFSIPVOBQHDOP-UHFFFAOYSA-N 469.280 6.194 50 10 JKGE COC(=O)c1c(NC(=O)C(C#N)=Cc2ccc(Cl)cc2)sc(C)c1-c1cccc(Cl)c1 2314793261 PVXBBNQEKYHRDU-UHFFFAOYSA-N 471.365 6.363 50 10 JKGE CCCc1sc(Br)cc1[C@H](Cl)c1scc(Br)c1Br 2316180181 NCVJZUATZVQDEL-NSHDSACASA-N 493.511 7.378 50 10 JKGE Cc1c(F)ccc([C@@H](Br)c2cc(Br)sc2Br)c1Cl 2316602347 FTQRRCIXYSZPDU-SNVBAGLBSA-N 477.418 6.858 50 10 JKGE Cc1sc(Br)c(C)c1[C@@H](Cl)c1c(Br)c(Br)nn1C 2316732826 ZZQZNMCJGHLGHL-MRVPVSSYSA-N 477.447 5.714 50 10 JKGE Fc1cc(Cl)c([C@H](Cl)c2cc(Br)c(Br)s2)c(Cl)c1 2318359262 QBNAZZISNXUUFW-SNVBAGLBSA-N 453.385 7.047 50 10 JKGE COc1ccc(Cc2nc3ccc(C(=O)NN=Cc4ccc(Cl)cc4Cl)cc3[nH]2)cc1 2323720850 LXEHNFCXRLKDFT-UHFFFAOYSA-N 453.329 5.233 50 10 JKGE Fc1cc([C@@H](Br)c2sc(Cl)cc2Br)c(Cl)cc1Cl 2326684695 FCXVUYVHOIENBG-SNVBAGLBSA-N 453.385 7.094 50 10 JKGE COc1cccc(C=C(C#N)n2cnc3ccccc32)c1OCc1ccc(Br)cc1 2331032765 BCHKYCKKOJNQFV-UHFFFAOYSA-N 460.331 5.908 50 10 JKGE CCCOc1ccc(-c2csc(C(C#N)=C(O)COc3ccccc3OC)n2)cc1OCCC 2331293755 YSFWXUCYXBYWBS-UHFFFAOYSA-N 480.586 6.268 50 10 JKGE CCCCCCOc1ccc(C(O)=C(C#N)c2nc(-c3ccc(C(C)(C)C)cc3)cs2)cc1 2331331493 GBVCZAIHOMVHBA-UHFFFAOYSA-N 460.643 8.017 50 10 JKGE CC[C@@H](C)N1C(=O)c2ccc(C(O)=C(C#N)c3nc(-c4ccc(OC)c(F)c4)cs3)cc2C1=O 2331337092 XQQRKTJTVWPNEN-CYBMUJFWSA-N 477.517 5.302 50 10 JKGE CCOC(=O)c1ccc(N2C[C@@H](C(O)=C(C#N)c3nc(-c4ccc(C)c(C)c4)cs3)CC2=O)cc1 2331382549 FGILTYCQPBGOEK-FQEVSTJZSA-N 487.581 5.449 50 10 JKGE Cc1ccc(C(C)(C)C)cc1-c1csc(C(C#N)=C(O)CN2C(=O)COc3ccc(Cl)cc32)n1 2331396886 KQZBLYWEQPUQOL-UHFFFAOYSA-N 494.016 6.288 50 10 JKGE COc1cc(C=C(C#N)c2nc(-c3ccc(F)c(C)c3)cs2)ccc1OCCCc1ccccc1 2331449188 VUYGPAGEGJMUOX-UHFFFAOYSA-N 484.596 7.342 50 10 JKGE Cc1cc(Oc2cc(Cl)c(C)cc2I)cc(CBr)n1 2336561352 PSPVZGZGOOJPQV-UHFFFAOYSA-N 452.517 5.644 50 10 JKGE Fc1c(Br)cc(Cl)c([C@@H](Br)[C@H]2C[C@H]3CC[C@H]2O3)c1Br 2337081294 UTKRFRJDYFTBRY-JUQFDLSGSA-N 477.393 6.008 50 10 JKGE Clc1cccc([C@@H](Br)CCc2ccc(Cl)c(I)c2)c1 2337218325 HLULRMCVMJLMTI-ZDUSSCGKSA-N 469.975 6.667 50 10 JKGE Cc1cc(Br)c(F)c(Br)c1[C@H](Br)[C@H]1C[C@H]1C(C)(C)C 2339651027 LITFIBGGYMRXCO-YGOYTEALSA-N 457.019 6.777 50 10 JKGE COc1c(Br)cc(C)c([C@@H](Br)[C@H](F)C(F)(F)F)c1Br 2339655109 CODCFCVGRMOBMO-SCZZXKLOSA-N 472.896 5.865 50 10 JKGE CC(C)[C@@H](Br)C(C)(C)CN(C)c1ncc(Br)cc1Br 2340335897 AVJSSOPWLWSROR-GFCCVEGCSA-N 457.048 5.489 50 10 JKGE CN(Cc1ccc(Cl)cc1I)[C@H](CCBr)C(F)(F)F 2341012313 PHISFADSBKEVHH-LLVKDONJSA-N 470.498 5.092 50 10 JKGE FC1(F)C2(CCC2)[C@]1(CCl)Cc1ccc(I)c(Br)c1 2349843428 VKSVFDRDGQKPJI-CYBMUJFWSA-N 461.515 5.641 50 10 JKGE Fc1ccccc1[C@@H](Br)CCc1cc(I)ccc1Cl 2352432942 ZVVGKMXIXCBGCR-ZDUSSCGKSA-N 453.520 6.153 50 10 JKGE Brc1ccc(OCc2ccccc2)c([C@H](Br)[C@H]2CCCc3ccccc32)c1 2361178652 POPCYWBGHVTCRQ-XUZZJYLKSA-N 486.247 7.584 50 10 JKGE CC(C)(C)c1cccc([C@H](Br)c2ccc(OCc3ccccc3)cc2Br)c1 2361194963 LXDBATMMUOQSQM-QHCPKHFHSA-N 488.263 7.810 50 10 JKGE COc1cc(C[C@H](CBr)c2ccccc2Br)c(Br)cn1 2362184190 LSLNKSQXIBKEAO-LLVKDONJSA-N 463.995 5.336 50 10 JKGE Clc1ccccc1[C@H](CBr)OCc1cc(Br)cc(Br)c1 2362240543 PYGQZZLNQUOPIV-HNNXBMFYSA-N 483.425 6.518 50 10 JKGE FC1(F)CC[C@]2(C1)[C@@H](Br)C[C@@H]2Oc1cc(Br)cc(Br)c1 2364222413 HQABSVZAKLNKJU-AVGNSLFASA-N 474.965 5.932 50 10 JKGE Cc1cc(Br)c(F)c(Br)c1[C@@H](Cl)c1c(Br)nc(C)n1C 2365176455 PTWJMXNVCKGKCB-SNVBAGLBSA-N 489.408 5.792 50 10 JKGE CC(C)[C@@H](Br)C(C)(C)CN(C)Cc1ccc(Cl)cc1I 2366678861 HDFVTILZLVAQKW-OAHLLOKOSA-N 472.636 5.822 50 10 JKGE N#Cc1cc(CBr)ccc1OCc1cc(I)ccc1Cl 2380349225 QIXLRYSOCFWCQF-UHFFFAOYSA-N 462.512 5.290 50 10 JKGE CC1(C)CC2(C1)CC(CBr)(Cc1cc(I)ccc1Cl)C2 2380516301 ANSGCGUSBRZATJ-UHFFFAOYSA-N 467.616 6.469 50 10 JKGE N#C/C(=C/c1ccc(OC(=O)CCCOc2ccc(Cl)cc2Cl)cc1)c1cccc(Cl)c1 31901543 ZWGNTNUPIXACFI-UYRXBGFRSA-N 486.782 7.476 50 10 JKGE Cc1cccc(OCC(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@@H]3c2ccc(Cl)cc2Cl)c1C 38655514 SHVHAPJNFXDVCN-RUZDIDTESA-N 495.362 5.813 50 10 JKGE CCCCOc1ccccc1[C@H]1C(C#N)=C(N)Oc2cc(OC(=O)c3ccccc3OCC)ccc21 38683109 CTVQZZWVIJEUMA-HHHXNRCGSA-N 484.552 5.702 50 10 JKGE CCCCOc1cccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4cccc(OC)c4)ccc32)c1 38685057 GYYODLRKBFRMCC-AREMUKBSSA-N 470.525 5.311 50 10 JKGE Cc1c(C(=O)Nc2ccc(Cl)cn2)oc2c1/C(=N/NC(=O)c1cccc(Cl)c1)CCC2 40813339 QHRCZCIMBJHBQS-JVWAILMASA-N 457.317 5.013 50 10 JKGE Cc1c(C(=O)N2CCCC[C@@H]2C)oc2c1/C(=N/NC(=O)C(c1ccccc1)c1ccccc1)CCC2 40815404 HEQNDXJVPUUROO-MYQRTQPVSA-N 483.612 5.591 50 10 JKGE O=C(CSc1nc(-c2ccccc2)cs1)N/N=C/c1cccc(OCc2ccc(Cl)cc2)c1 40924551 AZBYMDFWFDYLOA-MZJWZYIUSA-N 494.041 6.285 50 10 JKGE CCCOc1ccccc1/C=C(\C#N)C(=O)Oc1ccc(/C=C(\C#N)c2ccc(Cl)cc2)cc1OC 40949044 CMMMNQZYIJFURO-LRMXHFNYSA-N 498.966 6.714 50 10 JKGE N#C/C(=C/c1cc(Cl)ccc1OCc1ccc(Br)cc1)C(=O)Nc1ccccc1 59116688 BHAYLOYIMICPKC-PDGQHHTCSA-N 467.750 6.227 50 10 JKGE Cc1cc(/C=C(\C#N)C(=O)Nc2ccc(Cl)cc2Cl)c(C)n1-c1ccc(C(=O)O)c(Cl)c1 59678644 UZBANHGCHBCLTP-OVCLIPMQSA-N 488.758 6.298 50 10 JKGE Clc1ccc([C@H](Br)c2cc(Br)sc2Br)s1 71101650 HKJQGOYIAYYBHZ-MRVPVSSYSA-N 451.430 6.472 50 10 JKGE COc1cc(/C=N/NC(=O)COc2c(C)cc(C)cc2Br)ccc1OCc1ccccc1 97136696 ILMXFKCJRWNHPW-MZJWZYIUSA-N 497.389 5.183 50 10 JKGE C[C@@H](Cl)c1nc2cc(I)ccc2n1Cc1cccc(Br)c1 97354263 DRARLTNBFNCIFX-SNVBAGLBSA-N 475.555 5.752 50 10 JKGE CC1=C(C#N)C(=O)N(C[C@@H]2CCCO2)C(=O)/C1=C/c1ccc(-c2ccc(Cl)c(Cl)c2)o1 101337196 DZOZLSYBTVDPBG-KFXAOSDLSA-N 457.313 5.025 50 10 JKGE COc1ccc(C[C@H](Br)c2cc(Br)sc2Br)cc1OC 109870001 RZGGJSIEBMCSMQ-JTQLQIEISA-N 485.035 5.969 50 10 JKGE Brc1cc([C@H](Br)c2ccc3c(c2)COC3)c(Br)s1 111306765 DCIVJRFNZRTBML-GFCCVEGCSA-N 452.993 5.788 50 10 JKGE BrC[C@@H](CCOc1cccc(Br)c1)c1cccc(Br)c1 118859396 CRLJNSVAJZYCRA-CYBMUJFWSA-N 463.007 6.159 50 10 JKGE Cc1cc(Br)c([C@@H](Br)c2ccc(Cl)cc2)cc1Br 128747037 JZADRCQQAZLDRR-AWEZNQCLSA-N 453.399 6.658 50 10 JKGE Cc1cc(Br)c([C@@H](Br)[C@@H]2COc3ccccc3O2)cc1Br 128776612 IBVVXEAKXZMTNX-JKSUJKDBSA-N 476.990 5.796 50 10 JKGE FC(F)(F)c1ccc(Br)c([C@H](Br)Cc2cccc(Br)c2)c1 159878366 WRPQMTSYQLMASP-CQSZACIVSA-N 486.951 6.909 50 10 JKGE CC(C)c1ccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)/C=C\c4ccc(C(C)(C)C)cc4)ccc32)cc1 205640869 JHDXUYSLOQUJRB-MRYVLCKJSA-N 492.619 6.944 50 10 JKGE Cc1cccc(COc2ccccc2/C=C(/C#N)C(=O)Nc2nc(-c3ccccc3)cs2)c1 207058838 KSHWUAMDMRVDOX-HAHDFKILSA-N 451.551 6.243 50 10 JKGE CCOC(=O)c1c(NC(=O)/C(C#N)=C\c2ccc(OC)c(OCC)c2)sc2c1CC[C@H](CC)C2 209406668 JVLYNGRUWKLINP-JIHKLPAASA-N 482.602 5.393 50 10 JKGE Brc1ccc(C[C@@H](Br)c2cc(Br)cc(Br)c2)cc1 232476305 HKLOKSGKHABAHP-CQSZACIVSA-N 497.850 6.653 50 10 JKGE CC(C)COCCC(CBr)(CBr)c1ccc(Br)cc1 232600021 KITBUECXBISGMX-UHFFFAOYSA-N 457.044 5.539 50 10 JKGE COc1cc(F)c(Br)cc1[C@H](Br)c1cc(C)c(Br)s1 234912684 XNFMSVWBFGIKMR-LBPRGKRZSA-N 472.999 6.214 50 10 JKGE Clc1cc2c(c([C@@H](Br)c3cc(Br)sc3Br)c1)OCC2 236083996 YFSOKUDQESNNGX-LLVKDONJSA-N 487.438 6.346 50 10 JKGE CC(C)CCC[C@H](C)[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 251453917 XOLVVFSHDULKRS-FRTBYOJTSA-N 477.173 8.567 50 10 JKGE biogenic Cc1ccc([C@H](C(=O)N[C@@H]2CCC[C@H](C)[C@H]2C)N(CCc2ccccc2)C(=O)CCl)cc1 252584731 CKZDQHONUCYXNB-OFPDSVIMSA-N 455.042 5.287 50 10 JKGE CC(C)(C)c1ccc([C@H]2C[C@H]2C(=O)NN=Cc2ccc(-c3ccc(Cl)c(Cl)c3)o2)cc1 252614890 JMTPSXFSBCCNEQ-WOJBJXKFSA-N 455.385 6.805 50 10 JKGE COc1ccc(C=NNC(=O)Cc2c(Cl)cccc2Cl)cc1COc1cccc2cccnc12 252628995 TWOUDTAUAFIVHE-UHFFFAOYSA-N 494.378 5.822 50 10 JKGE CC(C)c1cc(C(=O)NN=Cc2cn(Cc3cccc(C(F)(F)F)c3)c3ccccc23)cs1 254393530 HEVRSHPIVTVAAU-UHFFFAOYSA-N 469.532 6.657 50 10 JKGE O=C(NN=Cc1c2ccccc2cc2ccccc12)c1ccc(NC(=O)c2ccc(F)cc2)cc1 254626260 BXPNFWDEQGRDQW-UHFFFAOYSA-N 461.496 6.148 50 10 JKGE C[C@]12CCCC[C@H]1[C@@H]2C(=O)NN=Cc1ccc(OCc2ccc([N+](=O)[O-])cc2)c(Br)c1 254714714 BMNIGCHLCRTFRF-ZEYPLWLESA-N 486.366 5.213 50 10 JKGE O=C(CSc1nc2ccccc2n1Cc1ccccc1)NN=Cc1cccc2ccccc12 254877600 WLRLSLDWUCPYHI-UHFFFAOYSA-N 450.567 5.480 50 10 JKGE Cc1cccc([C@H](Br)c2sccc2Br)c1I 300348696 QHNMWRARFLSDAL-JTQLQIEISA-N 471.983 5.908 50 10 JKGE CC[C@H](Br)c1cn(-c2c(Br)cc(Cl)cc2Br)nn1 305941964 RNHQVURAUCTZQO-ZETCQYMHSA-N 458.379 5.292 50 10 JKGE O=C(CN(Cc1ccccc1)Cc1ccccc1)Nc1ccccc1-c1nc(CCl)cs1 310329971 OKITYILQIDASAI-UHFFFAOYSA-N 462.018 6.190 50 10 JKGE Fc1cc([C@@H](Br)c2scc(C(F)(F)F)c2Br)ccc1Cl 380132313 NOSFAOAZPHLPIF-SECBINFHSA-N 452.492 6.806 50 10 JKGE Cc1cc(C)c([C@H](Br)c2c(C)cccc2Br)c(C)c1Br 380277271 AWJFFPHMSTXMMX-KRWDZBQOSA-N 461.035 6.930 50 10 JKGE C[C@@H](Cl)c1nc2ccccc2n1-c1ccc(I)c(Br)c1 380320939 ZBACZRBQIGMMNP-SECBINFHSA-N 461.528 5.692 50 10 JKGE ClCc1nc2cc(Cl)ccc2n1-c1cc(Br)ccc1I 380322987 ZPYUGTJPPNZKAD-UHFFFAOYSA-N 481.946 5.785 50 10 JKGE ClCCc1nc2ccccc2n1-c1ccc(I)cc1Br 383418765 BPTWJKZEXOZHSH-UHFFFAOYSA-N 461.528 5.174 50 10 JKGE C[C@@H](Cl)c1nc2cc(I)ccc2n1Cc1cnn(Cc2ccccc2)c1 390377437 UBYZHWURBXOEKT-CQSZACIVSA-N 476.749 5.234 50 10 JKGE Fc1ccc([C@H](Br)c2scc(C(F)(F)F)c2Br)cc1Br 394395928 BVMZSWQVGYHOFJ-VIFPVBQESA-N 496.943 6.915 50 10 JKGE O=[N+]([O-])c1cc(Br)cc(Oc2cccc(Br)c2CBr)c1 394772702 YQNYLOWLXBVHNY-UHFFFAOYSA-N 465.923 5.807 50 10 JKGE C[C@H]1[C@@H](C)N(c2ccc(CBr)c(Br)c2)C[C@@H](C)N1Cc1ccccc1 404263270 FPPWKOUFERGMOF-IXDOHACOSA-N 466.261 5.832 50 10 JKGE CC(C)(C)[Si](C)(C)OCCc1ccccc1[C@@H]1CN(Cc2ccccc2)c2ccccc2N1 616686563 PMUKCYKYBWAJOK-MHZLTWQESA-N 458.722 7.424 50 10 JKGE Fc1ccc2nc(CCl)n(-c3ccc(I)cc3)c2c1Br 689725562 PNCBBNMHNYSORQ-UHFFFAOYSA-N 465.491 5.271 50 10 JKGE CCC(F)(F)C(C)(C)COc1c(Br)cc(CBr)cc1Br 691067360 GGAIDGNVBBPYPB-UHFFFAOYSA-N 478.997 6.557 50 10 JKGE COc1ccc2c(c1)nc(CCCl)n2CC1(N(Cc2ccccc2)Cc2ccccc2)COC1 705598272 BAAZOMBZTAESIE-UHFFFAOYSA-N 476.020 5.298 50 10 JKGE Fc1ccc(COc2c(Br)cc(Cl)cc2CBr)cc1Br 708111034 MGGRDGUTROYDJN-UHFFFAOYSA-N 487.388 6.478 50 10 JKGE O=[N+]([O-])c1sc(CBr)cc1N1CC[C@H]2[C@H](CCCN2Cc2ccccc2)C1 715015755 UJBXVULHXJDCLJ-AEFFLSMTSA-N 450.402 5.042 50 10 JKGE CC1(C)CN(Cc2ccccc2)C[C@@H]1n1c(CCl)nc2cc(F)c(Br)cc21 720703051 NKXQSHYCGZQTLB-IBGZPJMESA-N 450.783 5.760 50 10 JKGE Cc1ccccc1CSCC(=O)NN=Cc1cc(C)n(-c2cc(Cl)cc(Cl)c2)c1C 1084045043 XTEWDKCBQITJSR-UHFFFAOYSA-N 460.430 6.093 50 10 JKGE O=C(NN=C(CSc1nc2ccccc2s1)c1ccc(Br)cc1)c1ccccc1 1084187550 CSCCJHSYIPUUJB-UHFFFAOYSA-N 482.428 5.985 50 10 JKGE C=CCc1cc(/C=C(\C#N)C(=O)Nc2ccc(C)cc2)cc(OC)c1OCc1ccc([N+](=O)[O-])cc1 1084327901 URCSODMRLZXNPJ-HZHRSRAPSA-N 483.524 5.765 50 10 JKGE N#C/C(=C/c1cccc(OCc2ccccc2Cl)c1)C(=O)Nc1cc([N+](=O)[O-])ccc1Cl 1084416937 MCJVMAFGFGYEBQ-YVLHZVERSA-N 468.296 6.026 50 10 JKGE COc1cc(C=NNC(=O)c2ccc(Cl)c(Cl)c2)ccc1OCc1cccc2ccccc12 1084525809 MXKVCFBBWWEQNX-UHFFFAOYSA-N 479.363 6.498 50 10 JKGE Cc1c(C(=O)Nc2cccc(Cl)c2Cl)oc2c1C(=NNC(=O)c1ccccc1Cl)CCC2 1772744249 TVJJPODNNMCPIB-UHFFFAOYSA-N 490.774 6.271 50 10 JKGE N#CC1=C(N)Oc2c(c(C(F)(F)F)nn2Cc2cccc(F)c2)[C@@H]1c1ccc(Cl)c(Cl)c1 1865685180 GTHWPRMDENIGAN-MRXNPFEDSA-N 483.252 5.614 50 10 JKGE N#CC1=C(N)Oc2c(c(-c3ccccc3)nn2Cc2ccccc2Cl)[C@@H]1c1c[nH]c2ccccc12 1865700316 PPUXQPUHJXABCS-DEOSSOPVSA-N 477.955 5.951 50 10 JKGE COc1ccc(-c2csc(/C(C#N)=C(\O)c3cc(C(F)(F)F)cc(C(F)(F)F)c3)n2)cc1 1872745913 JNKDTPSBFRRYMB-VLGSPTGOSA-N 470.394 6.806 50 10 JKGE N#C/C(=C(/O)[C@H]1CC(=O)N(Cc2ccccc2)C1)c1nc(-c2ccc(Cl)c(Cl)c2)cs1 1872748966 VEXLGECXIZGGOI-UDWOFDDZSA-N 470.381 5.958 50 10 JKGE C[C@@H](Oc1ccc(Cl)cc1Cl)/C(O)=C(\C#N)c1nc(-c2ccc3c(c2)OCCO3)cs1 1872750322 BQACVQACTYIHQW-DMJQWXIHSA-N 475.353 6.148 50 10 JKGE CC(C)(C)c1ccc(-c2csc(/C(C#N)=C/c3ccccc3OCc3ccc(Cl)cc3)n2)cc1 1872792084 DIUPBLTUVOPVJY-XQNSMLJCSA-N 485.052 8.404 50 10 JKGE CCc1cccc(CC)c1N1C[C@@H](/C(O)=C(\C#N)c2nc(-c3ccc4ccccc4c3)cs2)CC1=O 1873941087 VTCFTHNJSWLNMV-MSJKFPMMSA-N 493.632 6.934 50 10 JKGE CCC[C@H]1CC[C@H]([C@@H](Cl)c2c(Br)sc(Br)c2Br)CC1 1878020190 KVQUDTQDTPYUIQ-KBVBSXBZSA-N 493.530 7.922 50 10 JKGE CC1(C)CC([C@H](Br)c2sc(Br)cc2Br)CC(C)(C)C1 1878994340 QKTINQWOICDNTL-LBPRGKRZSA-N 473.112 7.562 50 10 JKGE Cc1c(C)c(C[C@H](Br)CN2C(=O)c3ccccc3C2=O)c(C)c(C)c1Br 1903998922 OFHSMSDASTWHKE-HNNXBMFYSA-N 479.212 5.285 50 10 JKGE CC(C)[C@H](CBr)N(Cc1ccccc1)C(=O)c1cc(Br)ccc1Cl 1915297747 KRJSOAMQEJOWLF-SFHVURJKSA-N 473.636 6.164 50 10 JKGE Cc1cc([C@H](Br)c2cc(Br)cc3c2OCCC3)oc1Br 1917603478 DQZGNDBFSQXRGF-CYBMUJFWSA-N 464.979 5.922 50 10 JKGE CCOC1CC(C[C@@H](Br)c2c(Br)sc(Br)c2Cl)C1 1923038410 JBANECXUZWANEZ-KAVNDROISA-N 481.475 6.568 50 10 JKGE Fc1cc(Br)ccc1[C@@H](Cl)c1c(Br)sc(Br)c1Cl 1923039232 NELLHESLTZAKTM-MRVPVSSYSA-N 497.836 7.156 50 10 JKGE Cc1scc([C@H](Br)c2c(Br)sc(Br)c2Cl)c1C 1923050456 VKTRXPKIUZGKGJ-QMMMGPOBSA-N 479.484 7.089 50 10 JKGE Clc1c(Br)sc(Br)c1[C@H](Br)C1CC(C2CC2)C1 1923063054 VOTNWBBDHXQCRR-QXUHLLMWSA-N 463.460 6.799 50 10 JKGE C[C@@H](c1ccncc1Br)[C@@H](Cl)c1csc(Br)c1Br 1924070398 JOEFWKSMVMAQOS-UPONEAKYSA-N 474.443 6.514 50 10 JKGE Clc1sc([C@H](Cl)Cc2ccccc2I)cc1Br 1940445710 RJLYSOUZCBBLEN-SECBINFHSA-N 461.977 6.291 50 10 JKGE COc1sc([C@@H](Br)c2cccc(OCc3ccccc3)c2)cc1Br 1946723260 SZBHGDYHBIKUKD-SFHVURJKSA-N 468.210 6.583 50 10 JKGE C[C@@]1(CBr)CC[C@H](c2ccc(OCc3ccccc3)c(OCc3ccccc3)c2)O1 1989167945 XZQNFUNFZUUSKV-BVAGGSTKSA-N 467.403 6.850 50 10 JKGE Clc1c(Br)sc(Br)c1[C@H](Br)C12CC(CCO1)C2 2019894602 JYOSPKLAQWDMIX-QHCBANEHSA-N 465.432 5.932 50 10 JKGE Cc1cc(C(=O)C(C#N)=CC=C2N(C)c3ccccc3C2(C)C)c(C)n1-c1cccc(C(F)(F)F)c1 2040465537 UBQGSMFHDRIHRK-UHFFFAOYSA-N 489.541 7.057 50 10 JKGE CC[C@@H](CBr)CN(CCCNC(=O)OC(C)(C)C)c1cccc(Br)c1 2044700496 CHARODMDROUTRU-HNNXBMFYSA-N 478.269 5.591 50 10 JKGE Cc1cc(Br)c(CBr)c(N2C[C@H](C)N(Cc3ccccc3)C[C@H]2C)c1 2053210861 BYVCMDFEYOFYTN-DLBZAZTESA-N 466.261 5.752 50 10 JKGE Clc1nc(Cl)n(Cc2cc(Br)ccc2Br)c1CBr 2055056085 JLCHVKHUOGUUDN-UHFFFAOYSA-N 477.809 5.658 50 10 JKGE CC(C)(C)[C@H](N[S@@](=O)C(C)(C)C)c1ccccc1P(c1ccccc1)c1ccccc1 2080751368 OMJJGAYXCQDARO-NJHZRGNWSA-N 451.616 5.584 50 10 JKGE Cc1cc(Br)ccc1Oc1c(CBr)ccc(Br)c1Cl 2098115702 DDODLAHPWMSBAP-UHFFFAOYSA-N 469.398 6.861 50 10 JKGE Clc1cccc(Cl)c1C[C@H](Br)c1ccc(Br)cc1Br 2104785041 WKEGOKFVYJMHAC-LBPRGKRZSA-N 487.844 7.197 50 10 JKGE Fc1cc(CC[C@H](Br)c2ccc(Br)cc2)ccc1Br 2113486761 JDHPRCNUECNPAV-ZDUSSCGKSA-N 450.971 6.420 50 10 JKGE CC(C)(C)[C@@H]1[C@H](Br)CCN1C(=O)c1cc(Br)sc1Br 2128677168 BBGMYVQRUHALIF-SCZZXKLOSA-N 474.056 5.297 50 10 JKGE CC12CC([C@@H](Br)c3ccc(Br)cc3Br)(C1)C(C)(C)O2 2138873347 XPLVJPKUAVXCBJ-GRTSSRMGSA-N 453.012 5.995 50 10 JKGE BrCc1cc(Br)c(OC[C@H]2CCCOCC2)c(Br)c1 2141840900 KBGWZTYOPKPYQU-JTQLQIEISA-N 457.000 5.302 50 10 JKGE Fc1cc2c(cc1Br)nc(CCCl)n2C1CC(COCc2ccccc2)C1 2149050525 HPIUECRVRPNHLA-UHFFFAOYSA-N 451.767 5.887 50 10 JKGE CC(C)(C)OC(=O)N1CCC[C@@H]([S@](C)(=O)=NCCCCCCCCCBr)C1 2163058338 JVDPAZRIPXCUNG-CLYVBNDRSA-N 467.514 5.609 50 10 JKGE Cc1oc(C)c(S(=O)(=O)N(Cc2ccccc2)CC2CCCCC2)c1CBr 2179789029 KTXZYKNFEILEJX-UHFFFAOYSA-N 454.430 5.563 50 10 JKGE C[C@@H](Cl)c1nc2cc(I)ccc2n1CCCCCN(C)Cc1ccccc1 2184094984 NFKUKFSERZQPOS-QGZVFWFLSA-N 495.836 6.243 50 10 JKGE Brc1c2c(c([C@@H](Br)[C@H]3C[C@H](Br)C3)c3c1CCC3)CCC2 2196896820 RVJAIGPYXGSLGY-PUTJDCORSA-N 463.051 6.036 50 10 JKGE CC1(C)CC[C@@H](CO[C@H](CI)c2cccc(Br)c2)OC1 2197343203 TYHZCBDHJOQPBE-LSDHHAIUSA-N 453.158 5.147 50 10 JKGE Cc1cc(Br)c(C)c([C@H](Br)CCOCC(F)(F)F)c1Br 2201071497 QSXASIUQGDVMOW-SECBINFHSA-N 482.960 6.233 50 10 JKGE COc1cc(Cl)c([C@H](Cl)c2cccc(F)c2I)cc1Br 2202344693 AVEDCDPVADVFHY-CYBMUJFWSA-N 489.937 6.183 50 10 JKGE C[C@@H]1[C@@H](Br)CCC[C@@H]1c1sc(Br)c(Br)c1Br 2212201396 WUEHKGWMIFZYJS-ACZMJKKPSA-N 495.900 6.703 50 10 JKGE Cc1nn(C)c(Br)c1[C@H](Br)c1c(C)sc(Br)c1C 2218803410 PTWQOLIMIFXOHT-SNVBAGLBSA-N 457.029 5.416 50 10 JKGE Cc1sc([C@H](Br)c2sc(Br)c(C)c2C)c(C)c1Br 2218966679 ZQSQIEPDDYZUDG-SNVBAGLBSA-N 473.093 7.053 50 10 JKGE Cc1cc(Br)c([C@H](Cl)c2cscc2Br)c(C)c1Br 2220151527 XAQBIPGZWRDSLR-CYBMUJFWSA-N 473.455 6.981 50 10 JKGE Fc1cc(Br)c(Br)cc1[C@H](Br)[C@@H]1C[C@@H]2CCCC[C@H]21 2225615736 KWDFGCXAXFAAOQ-SQAHSGDDSA-N 455.003 6.613 50 10 JKGE Cc1ccc(C[C@H](Br)c2cc(Br)c(Br)cc2F)cc1 2225618371 YQXUEMQSOACFOA-LBPRGKRZSA-N 450.971 6.338 50 10 JKGE Brc1c([C@H](Br)c2ccccc2OCc2ccccc2)ccc2c1CCO2 2229748293 XDMCEOVJFRFTQG-OAQYLSRUSA-N 474.192 6.447 50 10 JKGE FC(F)(F)CCCCO[C@@H](CI)c1cccc(Br)c1 2230094263 JOAMHBGAFUJGFW-LBPRGKRZSA-N 451.064 5.674 50 10 JKGE Cc1c(Br)sc([C@H](Br)[C@H]2OCC[C@H]2C(F)(F)F)c1Br 2231820089 HBGWPINNZHFOJN-NJUXHZRNSA-N 486.973 5.985 50 10 JKGE Fc1cc2nc(CCCl)n(C[C@H]3CC3(Br)Br)c2cc1Br 2233038867 IOOZVJPUPVCAPB-SSDOTTSWSA-N 489.408 5.225 50 10 JKGE Cc1cc(Br)c([C@H](Br)C2C[C@@H]3[C@@H](C2)C3(C)C)c(C)c1Br 2235615786 VKQOIUSKWVZQJH-XHBSWPGZSA-N 465.067 6.947 50 10 JKGE O=C(c1scc(Br)c1Br)N1C[C@H]2CCCC[C@]2(CBr)C1 2238793552 FFJLFUCLCFAAFO-OTYXRUKQSA-N 486.067 5.300 50 10 JKGE Fc1cc(Cl)c([C@H](Cl)c2sc(Cl)cc2Br)cc1Br 2258105328 ONDXBULEQSSPCS-JTQLQIEISA-N 453.385 7.047 50 10 JKGE COc1ccc([C@@H](Br)c2cc3sccc3s2)cc1I 2269550513 ZSKZRPQDSJPZNF-CQSZACIVSA-N 465.175 6.060 50 10 JKGE Clc1ccc(I)cc1OC[C@@H](CBr)c1ccccc1 2272689579 GLQMUHKLKQDUEA-GFCCVEGCSA-N 451.529 5.502 50 10 JKGE Cc1cc(Br)c(C)c([C@H](Br)[C@@]23CCC[C@H]2CC3)c1Br 2273372218 VXRZFAHKGPYQLR-KNXALSJPSA-N 451.040 6.845 50 10 JKGE CC1(C)C(C)(C)C1(C)[C@@H](Br)Cc1cc(Br)cc(Br)c1 2277948248 LIMRBBIVDBGGDR-ZDUSSCGKSA-N 453.056 6.590 50 10 JKGE CSc1ccccc1[C@H](Br)Cc1cc(Br)cc(Br)c1 2277964507 FSJATXIVZDQQIQ-CQSZACIVSA-N 465.048 6.612 50 10 JKGE Fc1cccc(Br)c1[C@@H](Br)c1cc2sc(Br)cc2s1 2278019700 JRAIZCHCUSOCAI-ZDUSSCGKSA-N 485.035 7.111 50 10 JKGE Cc1c(CCl)cccc1NC(=O)c1cc(I)ccc1Br 2283558644 JIJRGWSSFFPGSA-UHFFFAOYSA-N 464.528 5.353 50 10 JKGE BrC[C@@H](CCc1ccccc1)Cc1cccc(Br)c1Br 2286738459 WCBPOQGKSNBIEO-AWEZNQCLSA-N 461.035 6.398 50 10 JKGE CCOC(=O)C(C#N)=C1S[C@@H](Cc2ccc(Cl)cc2)C(=O)N1c1ccc(Br)cc1 2293039077 AEBHOASBASKCHA-SFHVURJKSA-N 491.794 5.092 50 10 JKGE CCOc1cc(C=C(C#N)C(=O)Nc2cccc(SC)c2)ccc1OCc1ccccc1C#N 2293559158 AQZSSAHOCQISCP-UHFFFAOYSA-N 469.566 5.804 50 10 JKGE COc1ccc(-c2csc(C(C#N)=CNc3ccccc3OC(F)(F)[C@H](F)Cl)n2)cc1OC 2295934426 WFOKUJZDEADHCB-NRFANRHFSA-N 495.910 6.310 50 10 JKGE N#CC(C(=O)Nc1cccc(Cl)c1)=C1S[C@H](Cc2ccccc2Cl)C(=O)N1c1ccccc1 2296500312 FFKSIZPNNCLPDU-JOCHJYFZSA-N 494.403 6.058 50 10 JKGE Cc1cc(-c2nn(-c3ccccc3)cc2C=C(C#N)C(=O)NCc2cccnc2)ccc1OC(C)C 2296703384 ADYLLPSVQLYCKZ-UHFFFAOYSA-N 477.568 5.253 50 10 JKGE CCOc1cc(C=C(C#N)c2nc3ccc(C)cc3[nH]2)ccc1OCc1ccc(Cl)cc1Cl 2297278792 HJBKCGCZXNCKJI-UHFFFAOYSA-N 478.379 7.220 50 10 JKGE COc1cc(C=C(C#N)C(=O)Nc2ccc(SC(F)F)cc2)cc(Br)c1O 2297381569 WNLQHBITZBBNMK-UHFFFAOYSA-N 455.280 5.024 50 10 JKGE CC(C)(C)c1ccc(OCCn2cc(C=C(C#N)C(=O)NCc3cccs3)c3ccccc32)cc1 2297456516 HRLVBDKQROEDFK-UHFFFAOYSA-N 483.637 6.303 50 10 JKGE CC(C)([C@H](Br)c1ccc(OCc2ccccc2)cc1Br)S(C)(=O)=O 2299495748 LTDFFLZCIDOEEG-QGZVFWFLSA-N 476.230 5.287 50 10 JKGE Cc1cccc(NC(=O)C(C#N)=Cc2cc(Cl)ccc2OCc2cccc3ccccc23)c1 2313540922 COSOZENDFYMSNU-UHFFFAOYSA-N 452.941 6.926 50 10 JKGE C=CCc1cc(C=C(C#N)C(=O)Nc2cccc(Cl)c2Cl)ccc1OCc1ccc(C)cc1 2313570995 KZZKTEARKCCZQF-UHFFFAOYSA-N 477.391 7.155 50 10 JKGE N#CC(=Cc1ccc(-c2ccccc2)o1)c1nc(-c2cc3cc(Cl)ccc3oc2=O)cs1 2314490007 WWAAGTKZMNLGKN-UHFFFAOYSA-N 456.910 6.894 50 10 JKGE Cc1ccc(S(=O)(=O)C(C#N)=Cc2cn(-c3ccccc3)nc2-c2ccc3c(c2)OCO3)cc1C 2314522433 IZSHXVPGBPWDSO-UHFFFAOYSA-N 483.549 5.223 50 10 JKGE Cc1c(Cl)sc(Cl)c1[C@H](Br)c1nn(C)c(Cl)c1Br 2314526906 ZCISIGHASMBOPS-YFKPBYRVSA-N 453.414 5.997 50 10 JKGE CCOC(=O)c1c(NC(=O)C(C#N)=Cc2ccc(-c3ccc(C)cc3[N+](=O)[O-])o2)sc(C)c1C 2314571324 DQAALAVGACNSER-UHFFFAOYSA-N 479.514 5.564 50 10 JKGE COC(=O)c1c(NC(=O)C(C#N)=Cc2ccc(OCc3ccccc3)cc2)sc2c1CCCC2 2314572350 YZKGVLGEQHTLQR-UHFFFAOYSA-N 472.566 5.538 50 10 JKGE CNC(=O)C(C#N)=C1S[C@@H](Cc2cccc(C(F)(F)F)c2)C(=O)N1c1ccc(C(C)C)cc1 2314593520 OJWSQEOZJFJDSV-FQEVSTJZSA-N 473.520 5.001 50 10 JKGE N#CC1=C(N)Oc2cc(OC(=O)C=Cc3ccc(Cl)cc3)ccc2[C@@H]1c1ccc(Cl)c(Cl)c1 2314634567 JJSJUXZZTJNXEN-DEOSSOPVSA-N 497.765 6.484 50 10 JKGE CCOC(=O)C(C#N)=Cc1cccc(OC(=O)COc2ccc(Br)cc2C(C)C)c1 2314770681 QNDGBAUNGTYSJV-UHFFFAOYSA-N 472.335 5.027 50 10 JKGE CC1(C)C[C@@H]([C@@H](Br)c2sc(Cl)cc2I)C(C)(C)O1 2316775372 RGTWLSPZOGQXLE-OIBJUYFYSA-N 463.606 6.036 50 10 JKGE Clc1cc(Br)c(OCc2nc(Br)cs2)c(CBr)c1 2320004019 DKRMVSXFSFNVIC-UHFFFAOYSA-N 476.415 5.795 50 10 JKGE COc1cccc(C(=O)NN=Cc2ccc(OCc3ccc(Cl)c(Cl)c3)c(OC)c2)c1 2322949023 PEJHCVUYFPVLKR-UHFFFAOYSA-N 459.329 5.354 50 10 JKGE C[C@H]1CN(CC(C)(C)CI)c2ccccc2CN1C(=O)OC(C)(C)C 2326664783 HRTKGJSLQPSVIP-HNNXBMFYSA-N 458.384 5.093 50 10 JKGE Clc1ccc(I)cc1COc1nc(Cl)c(CBr)s1 2327238760 XARYCSJHOQISOI-UHFFFAOYSA-N 478.964 5.528 50 10 JKGE CCc1cccc(C)c1N1C[C@@H](C(O)=C(C#N)c2nc(-c3ccc(Cl)cc3Cl)cs2)CC1=O 2331251011 GYHUAGOJMDDBMV-INIZCTEOSA-N 498.435 6.834 50 10 JKGE CCCCc1ccc(-c2csc(C(C#N)=C(O)[C@H]3CC(=O)N(Cc4ccccc4)C3)n2)cc1 2331255951 LDQCMRMGQOEUMO-QFIPXVFZSA-N 457.599 5.994 50 10 JKGE N#CC(=C(O)Cc1ccc(Br)cc1)c1nc(-c2ccc(Cl)c(Cl)c2)cs1 2331311197 BTDRNPWOPGWAQJ-UHFFFAOYSA-N 466.187 6.915 50 10 JKGE COc1cc(OC)c(-c2csc(C(C#N)=C(O)C(c3ccccc3)c3ccccc3)n2)cc1Cl 2331377468 BUAJNQUAXVOKHD-UHFFFAOYSA-N 488.996 7.105 50 10 JKGE COc1cc(OC)c(-c2csc(C(C#N)=C(O)c3c(OC)cccc3OC)n2)cc1Cl 2331377546 JHHJBFVGJQPKKP-UHFFFAOYSA-N 458.923 5.448 50 10 JKGE COc1ccc(-c2csc(C(C#N)=C(O)[C@@H](C)Oc3ccc(Cl)cc3)n2)c(OC)c1OC 2331412831 KYVRUIPNOXGCGE-CYBMUJFWSA-N 472.950 5.749 50 10 JKGE COc1cc(C=C(C#N)c2nc(-c3ccc(C(C)C)cc3)cs2)ccc1OCCCc1ccccc1 2331456598 IIRDDPJRMILVAU-UHFFFAOYSA-N 494.660 8.018 50 10 JKGE COc1cc(C=C(C#N)c2nc(-c3cc(Cl)c(OC)c(Cl)c3)cs2)cc(OC)c1O 2331480977 RZHYREGURZQXOC-UHFFFAOYSA-N 463.342 5.912 50 10 JKGE Fc1ccc([C@H](Br)c2ccc(OCc3ccccc3)cc2Br)c(F)c1F 2336049329 BQIBIWMZCRFRMF-GOSISDBHSA-N 486.125 6.930 50 10 JKGE COc1ccc(CC(=O)N(Cc2ccccc2)[C@H](CBr)C(C)C)c(Br)c1 2338817854 SHYOCSUKTZYOKN-HXUWFJFHSA-N 483.244 5.449 50 10 JKGE CC[C@@H]1OCC[C@@H]1[C@@H](Br)c1c(C)cc(Br)c(F)c1Br 2339644959 CZGRYDUBMJBARS-PTOFAABTSA-N 458.991 5.910 50 10 JKGE COc1c(Br)cc(C)c([C@H](Br)[C@H]2OCC[C@@H]2C)c1Br 2339651796 SJRIBKUAPRKXKQ-XDYOCTJHSA-N 457.000 5.390 50 10 JKGE ClC[C@H](NCc1ccc(I)c(Br)c1)[C@@H]1CC=CCC1 2349858975 UFVATZNVXOLURA-DOMZBBRYSA-N 454.577 5.107 50 10 JKGE Cc1cnc(OCc2ccc(I)c(Br)c2)cc1CBr 2352410288 GKCTVMNAVQUSSN-UHFFFAOYSA-N 496.968 5.231 50 10 JKGE CC(C)(C)OC(=O)N1CCC[C@@](CI)(OC[C@@H]2C[C@H]2C2CCCCCC2)C1 2357871950 UCUBPZUFSKZHHB-IPJJNNNSSA-N 491.454 5.814 50 10 JKGE CS(=O)(=O)C1([C@@H](Br)c2c(F)cc(Cl)c(Br)c2Cl)CCC1 2360422989 VVTRATQOACBEIH-NSHDSACASA-N 468.997 5.298 50 10 JKGE CC1(C)[C@H]2CC[C@@H](C2)[C@]1(CBr)Cc1ccc(Cl)c(I)c1 2362376177 RQMDVKDEUONRGQ-GDZNZVCISA-N 467.616 6.325 50 10 JKGE COc1c(Br)cc(C)c([C@H](Br)c2ccc(C)cc2)c1Br 2365234591 YEVDRLRCRIIYQF-CQSZACIVSA-N 463.007 6.321 50 10 JKGE ClC1CCC2(CC1)C[C@@H]2CNCc1ccc(I)c(Br)c1 2377332129 MDXCBEVFXVGXFF-VEAWUBTESA-N 468.604 5.331 50 10 JKGE CC[C@@](CBr)(Cc1cc(I)ccc1Cl)c1ccccc1 2380530534 CZHOHWUXJUKBIA-KRWDZBQOSA-N 463.584 6.230 50 10 JKGE Cc1cc(Br)c(C(C)C)cc1[C@@H](Cl)c1cccc(I)c1 2380926893 IUOGIYJRWYIAQT-KRWDZBQOSA-N 463.584 6.814 50 10 JKGE COc1cc(C=NNC(=O)COc2cc(C)ccc2C(C)C)ccc1OC(=O)c1ccccc1Cl 12447305 PMMXXQFXKYEGRB-UHFFFAOYSA-N 494.975 5.529 50 10 JKGE COc1ccc(/C(C#N)=C\c2ccc(OC(=O)/C=C/c3ccc([N+](=O)[O-])cc3)cc2)cc1OC 31901124 COPWSCXMJBRJCJ-WBDHZMATSA-N 456.454 5.295 50 10 JKGE COc1cccc(/C=C(/C#N)c2nc3ccccc3s2)c1OCc1ccc(Cl)cc1Cl 33919476 TXRWPSAQOZFZRH-BOPFTXTBSA-N 467.377 7.255 50 10 JKGE N#C/C(=C\c1ccc2noc(-c3ccccc3)c2c1)C(=O)Nc1ccc(Cl)c(C(F)(F)F)c1 35520893 RBECUMMHCBEDLC-MHWRWJLKSA-N 467.834 6.713 50 10 JKGE C=CCN1C(=O)C(C#N)=C(C)/C(=C\c2cn(-c3ccccc3)nc2-c2cccc(OCCC)c2)C1=O 38607669 QKXHZRUEXOMTGH-KOEQRZSOSA-N 478.552 5.106 50 10 JKGE COc1cccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)[C@H](C)Oc4ccc(C(C)C)cc4)ccc32)c1 38650235 KIQRFRSTUHHRTM-XRHLQHRESA-N 484.552 5.410 50 10 JKGE CCCOc1ccccc1[C@@H]1C(C#N)=C(N)Oc2cc(OC(=O)c3ccc(C(C)(C)C)cc3)ccc21 38681262 YWAUOCDTVFICQZ-MHZLTWQESA-N 482.580 6.210 50 10 JKGE CC(C)CCOc1cccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4cccs4)ccc32)c1 38684655 GQIRNSHMSPWHIN-XMMPIXPASA-N 460.555 5.610 50 10 JKGE Cc1cccc(OCC(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@H]3c2cccc(OCCC(C)C)c2)c1 38684668 LWAQJOMTXDLWGR-LJAQVGFWSA-N 498.579 5.623 50 10 JKGE CCCCCOc1ccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4cccc(OCC)c4)ccc32)cc1 38685484 HWUVDCCNOHHLHV-NDEPHWFRSA-N 498.579 6.092 50 10 JKGE O=C(N/C(=C/N1CCCCC1)[P+](c1ccccc1)(c1ccccc1)c1ccccc1)c1ccccc1 100472600 QUYACFNEPBZCQL-ZXPTYKNPSA-O 491.595 5.695 50 10 JKGE Fc1cc(Br)ccc1COc1ccc(CBr)cc1Br 104174918 JFXTZDGKPLRRBM-UHFFFAOYSA-N 452.943 5.825 50 10 JKGE Fc1cccc(CC(CBr)(CBr)c2ccccc2Cl)c1Cl 123428029 VHYCXDGPIRETAD-UHFFFAOYSA-N 454.992 6.403 50 10 JKGE Cc1cc(Br)c([C@H](Br)Cc2cccc(F)c2)cc1Br 128749570 DPBAGEXIPBXJQP-OAHLLOKOSA-N 450.971 6.338 50 10 JKGE CCOc1ccc([C@H](Br)c2cc(C)cc(Br)c2)cc1Br 132035036 NQDNIWJVLPSFDN-INIZCTEOSA-N 463.007 6.403 50 10 JKGE CN(C(=O)c1cc(Br)c(Br)s1)[C@@H]1CCCC[C@@H]1Br 158102555 ZAPUGYQITYTCPF-IONNQARKSA-N 460.029 5.051 50 10 JKGE CC1(C)C[C@H](N=C=O)C[C@](C)(CNC(=O)N2CCC(c3cc4cc(Cl)ccc4[nH]3)CC2)C1 170290663 POYAGCHNGFNGJU-CPJSRVTESA-N 457.018 5.631 50 10 JKGE CC(=O)Oc1cc(OC(C)=O)c2c(=O)c(-c3ccc(O[Si](C)(C)C(C)(C)C)cc3)coc2c1 195907008 PXEGTVYREHPMNR-UHFFFAOYSA-N 468.578 5.695 50 10 JKGE in-vitro CCOC(=O)c1c(NC(=O)/C(C#N)=C\c2ccc(-c3ccc(F)cc3)o2)sc2c1CC[C@@H](CC)C2 209399012 KWVAIKGJALHKOJ-VVZNPABPSA-N 492.572 6.384 50 10 JKGE Cc1cc(Br)c([C@H](Br)c2ccoc2Br)cc1Br 235822684 XFDMVJZOPYWBLB-LLVKDONJSA-N 487.811 6.360 50 10 JKGE Cc1cccc([C@@H](Br)c2cc(F)c(F)cc2Cl)c1I 235928172 PKJRMYHERLMHHC-CYBMUJFWSA-N 457.483 6.016 50 10 JKGE Cc1[nH]c2ccc(C(=O)OCC(=O)N(N=Cc3ccccc3)c3cccc(C(F)(F)F)c3)cc2c1C 254408599 KOGJDUYDMSUWOH-UHFFFAOYSA-N 493.485 6.028 50 10 JKGE CCOc1cccc(-c2cc(C(=O)NN=C(CC)c3cc(O)ccc3O)c3ccccc3n2)c1 254595326 KAPQFOLACRKCDO-UHFFFAOYSA-N 455.514 5.256 50 10 JKGE Cc1cccc(C(=O)Oc2ccc(C=NNC(=O)COc3ccc(-c4ccccc4)cc3)cc2)c1 254740746 XUSWZKBJIKGPIE-UHFFFAOYSA-N 464.521 5.410 50 10 JKGE CC(=NNC(=O)c1ccc(COc2ccccc2-c2ccccc2)cc1)c1ccc(-n2ccnc2)cc1 254799251 DKQYFBXVAJVIAI-UHFFFAOYSA-N 486.575 6.272 50 10 JKGE CC(=NNC(=O)c1ccc(COc2cccc3cccnc23)cc1)c1ccc(C2CCCCC2)cc1 263627506 IMLGWYIUKPMEJD-UHFFFAOYSA-N 477.608 7.016 50 10 JKGE COc1c(C)cc(Br)c(C)c1[C@@H](Br)c1cccc(OCc2ccccc2)c1 380533715 LQLYYFXADDYONX-QFIPXVFZSA-N 490.235 7.138 50 10 JKGE BrCc1ccc(N2C[C@H]3CCN(Cc4ccccc4)C[C@@H]3C2)cc1Br 385991174 RYGGSPOKLZHKGF-RTBURBONSA-N 464.245 5.302 50 10 JKGE C[C@H](Br)C[C@H]1CCCCCN1c1ncc(Br)cc1Br 387974511 CZCOWINYMDHCJJ-CMPLNLGQSA-N 455.032 5.529 50 10 JKGE BrCC(CBr)(CC[C@@H]1CCOC1)c1ccccc1Br 400586125 ZQDXASGDLLTGAB-GFCCVEGCSA-N 455.028 5.293 50 10 JKGE FC(F)(F)c1ccc(Cl)c([C@@H](Br)c2cc(Br)c(Cl)s2)c1 695013140 GYWNPOLFKNPUKC-SNVBAGLBSA-N 468.947 7.321 50 10 JKGE Cc1cc(Br)c([C@H](Br)C2CCC3(CC2)CC3)cc1Br 695644347 NHHBNQOPHMDQMV-OAHLLOKOSA-N 451.040 6.926 50 10 JKGE C[C@H](Cl)c1nc2cc(I)ccc2n1C[C@H]1CN(Cc2ccccc2)C[C@H]1C 708572809 GJBYQDBAZPCMHU-SOLBZPMBSA-N 493.820 5.709 50 10 JKGE Cl[C@@H](Cc1nc2ccccc2s1)c1ccc(I)c(Br)c1 721576293 DVVKVWGPHKTJSS-NSHDSACASA-N 478.580 6.186 50 10 JKGE Brc1cc([C@H](Br)c2ccccc2)ccc1I 721583320 BFGLKHSCOSKNOE-CYBMUJFWSA-N 451.927 5.538 50 10 JKGE Cc1ccc(NC(=O)/C(C#N)=C\c2ccc(OCc3ccc(Cl)c(Cl)c3)cc2)cc1C 725421076 APKOCGHYIFKIGN-NDENLUEZSA-N 451.353 6.735 50 10 JKGE Cc1cc(C)cc(CSCC(=O)NN=Cc2ccc(OCc3ccc(Cl)cc3)cc2)c1 1083952416 JEGLEDQQYVIZGT-UHFFFAOYSA-N 453.007 5.919 50 10 JKGE COc1cc(C=NNC(=O)CSCc2cccc(Cl)c2)ccc1OCc1ccccc1 1084046614 WBXCXBMUZOWJSU-UHFFFAOYSA-N 454.979 5.311 50 10 JKGE Cc1cc(C=NNC(=O)C(=O)Nc2cccc(Cl)c2)c(C)n1-c1ccc(Cl)cc1Cl 1084265650 ZRZCZTHWWUPJFK-UHFFFAOYSA-N 463.752 5.143 50 10 JKGE CCOc1ccc([C@@H](O)CCC(=O)NN=Cc2cc(C)n(-c3sc(C)c(C)c3C#N)c2C)cc1 1084328445 RQYKLMMWIMZRTI-DEOSSOPVSA-N 478.618 5.007 50 10 JKGE O=C(CCCNc1ccccc1)NN=Cc1ccccc1OCc1ccc(Br)cc1 1084514653 UQLUYTXQCMPQLQ-UHFFFAOYSA-N 466.379 5.371 50 10 JKGE CN(C)c1ccc(C=NNC(=O)CSc2nc(-c3ccccc3)c(-c3ccccc3)[nH]2)cc1 1084536531 AEGUYHUJJWCGKB-UHFFFAOYSA-N 455.587 5.052 50 10 JKGE COc1ccccc1C(=O)NN=C1CCCc2oc(C(=O)Oc3ccc(Cl)c(C)c3)c(C)c21 1772745941 LTDQRGTTYJMPCC-UHFFFAOYSA-N 466.921 5.248 50 10 JKGE Cc1c(C(=O)N2CCCC[C@H]2C)oc2c1C(=NNC(=O)C(c1ccccc1)c1ccccc1)CCC2 1772747960 HEQNDXJVPUUROO-HXUWFJFHSA-N 483.612 5.591 50 10 JKGE COc1cc(C=NNC(=O)COc2cc(C)c(Cl)c(C)c2)ccc1OCc1ccc(Cl)cc1 1772752797 BMXHXIPFHSMDCG-UHFFFAOYSA-N 487.383 5.727 50 10 JKGE Cc1cc(OCC(=O)NN=Cc2ccc(Cl)c(Cl)c2)c(Br)c(C)c1Cl 1772756551 QVUFSGYBSNWQIH-UHFFFAOYSA-N 464.574 5.555 50 10 JKGE COc1ccc(-c2nn(-c3ccccc3)c3c2[C@@H](c2ccc(C(C)C)cc2)C(C#N)=C(N)O3)cc1 1865685245 GWLOQODGKFTOER-VWLOTQADSA-N 462.553 5.889 50 10 JKGE CCc1nn(Cc2c(F)cccc2Cl)c2c1[C@@H](c1c(Cl)cccc1Cl)C(C#N)=C(N)O2 1865686638 YIZXSSLLLZITKL-GOSISDBHSA-N 477.754 5.811 50 10 JKGE Cc1ccc(Cn2nc(-c3ccccc3)c3c2OC(N)=C(C#N)[C@@H]3c2c(Cl)cccc2Cl)cc1 1865686766 ZYAKPVVEBPZLKP-JOCHJYFZSA-N 487.390 6.432 50 10 JKGE CCCCOc1ccc([C@@H]2C(C#N)=C(N)Oc3c2c(C)nn3Cc2ccc(C)cc2)cc1OCC 1865687330 OSYUAMDSSCXKBZ-AREMUKBSSA-N 472.589 5.344 50 10 JKGE CCCc1nn(Cc2ccc(C)cc2)c2c1[C@H](c1ccc(OCc3ccccc3)cc1)C(C#N)=C(N)O2 1865690574 VKLWWEQJVHGGJE-MUUNZHRXSA-N 490.607 5.990 50 10 JKGE CCc1nn(-c2ccccn2)c2c1[C@H](c1ccc(OCc3ccc(Cl)cc3)cc1)C(C#N)=C(N)O2 1865695904 VKVBSZAFUBFEAE-XMMPIXPASA-N 483.959 5.280 50 10 JKGE CCCc1nn(-c2ccc(C)cc2)c2c1[C@H](c1ccc(OC(=O)c3ccccc3)cc1)C(C#N)=C(N)O2 1865704940 IMSSYGPFOWHUND-AREMUKBSSA-N 490.563 5.571 50 10 JKGE CCCc1nn(-c2ccc(Cl)c(Cl)c2)c2c1[C@@H](c1ccc(OC)c(OC)c1)C(C#N)=C(N)O2 1865707260 RZBCGNAVZFLFEL-NRFANRHFSA-N 485.371 5.367 50 10 JKGE Cc1nc(-c2ccc(Cl)c(Cl)c2)ccc1C(=O)NNC(=O)CCCSc1ccccc1 1865759341 VJPGUXTZLAQMDG-UHFFFAOYSA-N 474.413 5.697 50 10 JKGE COc1ccc([C@@H](CC(=O)N[C@H](C)C(=O)Nc2ccc(SC#N)cc2)c2ccccc2)cc1Cl 1867129384 MVMRXJUUFWMLII-VGSWGCGISA-N 494.016 5.587 50 10 JKGE CCc1nc(Nc2ccc(SC#N)cc2)cc(N(Cc2cccnc2)c2cccc(C)c2)n1 1868278228 WQAIIGXWPUCLKG-UHFFFAOYSA-N 452.587 6.398 50 10 JKGE CC(C)(C)c1nc(Nc2ccc(SC#N)cc2)cc(N2[C@H](Cc3ccccc3)COCC2(C)C)n1 1868342609 XTBHXJNGPGPBMG-JOCHJYFZSA-N 487.673 6.317 50 10 JKGE COc1ccc(-c2csc(/C(C#N)=C(\O)c3cc(OC)c(OC)cc3[N+](=O)[O-])n2)cc1C 1872746796 YQUUXDFJXWTRMY-QNGOZBTKSA-N 453.476 5.002 50 10 JKGE CC(C)c1ccc(-c2csc(/C(C#N)=C(\O)CN3C(=O)COc4ccc(Cl)cc43)n2)cc1 1872751779 FXOREYQNRIOMMH-UZYVYHOESA-N 465.962 5.805 50 10 JKGE CC[C@H](C)N1C(=O)c2ccc(/C(O)=C(\C#N)c3nc(-c4ccc(C(C)C)cc4)cs3)cc2C1=O 1872752206 RKWDHJGFEFZIOW-DYYXWGBJSA-N 471.582 6.278 50 10 JKGE CCOc1ccc(-c2csc(/C(C#N)=C(\O)c3ccc4nc(C)c(C)nc4c3)n2)c(OCC)c1 1872755451 OCXJNYLFQBSQCF-QQTULTPQSA-N 472.570 6.117 50 10 JKGE COc1cc(Cl)c(C)cc1-c1csc(/C(C#N)=C(\O)[C@@H](C)Oc2ccc(Cl)cc2Cl)n1 1872756849 DIELPAFTKXXAHT-DMJQWXIHSA-N 495.815 7.348 50 10 JKGE COc1ccc(OCCC/C(O)=C(\C#N)c2nc(-c3cc(C)c(Cl)cc3OC)cs2)cc1 1872757207 UTWSYYHPORPKDJ-QOCHGBHMSA-N 470.978 6.441 50 10 JKGE Cc1cc(OC/C(O)=C(\C#N)c2nc(-c3cc(Cl)ccc3Cl)cs2)cc(C)c1Cl 1872758823 RSAKSBUBVNKWLY-MNDPQUGUSA-N 465.789 7.259 50 10 JKGE CCCCCCOc1ccc(/C=C(\C#N)c2nc(-c3ccc(OC)c(C)c3)cs2)cc1OC 1872780571 CXBPSSHQUWRUSP-PXLXIMEGSA-N 462.615 7.159 50 10 JKGE N#C/C(=C\c1cc(Br)ccc1F)c1nc(-c2ccc(Br)cc2)cs1 1872781201 XYPJFJWKYIFLMW-NTUHNPAUSA-N 464.157 6.538 50 10 JKGE COc1cc(OC)c(OC)cc1/C=C(\C#N)c1nc(-c2cccc(Br)c2)cs1 1872784271 HQAZTJVMOVOHPD-VIZOYTHASA-N 457.349 5.663 50 10 JKGE COc1cc(/C=C(\C#N)c2nc(-c3cc(Cl)cc(Cl)c3OC)cs2)cc(OC)c1O 1872792701 MKIIWGAGOBFONS-UUILKARUSA-N 463.342 5.912 50 10 JKGE COc1ccc(-c2csc(/C(C#N)=C/c3cc(Br)c(O)c(OC)c3)n2)c(OC)c1 1872793509 CXIPMMGARONMBV-AWNIVKPZSA-N 473.348 5.368 50 10 JKGE Cc1cc(Br)c([C@H](Br)[C@@H]2C[C@@]23CCCOC3)cc1Br 1894140125 BDYIFWOHHFUKSL-TUKIKUTGSA-N 453.012 5.773 50 10 JKGE Clc1cc(I)c([C@H](Br)c2ccc(Br)cc2)s1 1900918254 DLHMIMZRXWHKOT-SNVBAGLBSA-N 492.401 6.253 50 10 JKGE CC(C)[C@H](CBr)N(Cc1ccccc1)C(=O)c1cccc(OCc2ccccc2)c1 1915259293 JUJZUSXYVLLZOB-VWLOTQADSA-N 466.419 6.328 50 10 JKGE Cc1c(Br)sc([C@H](Cl)c2cc(Cl)sc2Cl)c1Br 1922933329 VMUSOAVAOQTGCQ-SSDOTTSWSA-N 455.451 7.278 50 10 JKGE C[C@H](c1ccncc1Br)[C@H](Br)c1cc(Cl)ccc1Br 1924039254 JZEUTAHHTMJLCM-CLAHSXSESA-N 468.414 6.500 50 10 JKGE C[C@@H](c1ccncc1Br)[C@@H](Br)c1cc(F)cc(Br)c1 1924040381 PGKWCZWQXXKDRA-RMLUDKJBSA-N 451.959 5.985 50 10 JKGE F[C@@H]1CCC[C@@H]([C@H](Cl)c2c(Br)sc(Br)c2Br)C1 1924570900 NDORAQWQMFGGGO-KCRUCZTKSA-N 469.439 6.844 50 10 JKGE Cl[C@H](c1c(Br)sc(Br)c1Br)[C@@]12CCCC[C@H]1C2 1924608227 FQXMMAQNSWZAEJ-PNLAZUSQSA-N 463.460 6.896 50 10 JKGE Brc1sc(Br)c([C@H](Br)[C@@]23COC[C@H]2C3)c1Br 1924609467 YGNHFCYJGXMVOC-GXEGGYKASA-N 495.856 5.508 50 10 JKGE Clc1sc(Br)c(Cl)c1[C@H](Br)c1ccc2c(c1)CCCC2 1925553511 JFEZRQKLAPRGDC-GFCCVEGCSA-N 455.042 7.181 50 10 JKGE Clc1sc(Br)c(Cl)c1[C@@H](Br)c1csc2ccccc12 1925590411 OYQGWVGUHBTPMK-JTQLQIEISA-N 457.039 7.516 50 10 JKGE FC(F)(F)C1CC([C@H](Br)c2cc(Br)c(Br)s2)C1 1948914065 ODZDLNGFGOFFEU-YXFGPURMSA-N 456.947 6.298 50 10 JKGE Cc1cc([C@H](Br)c2cc(Br)ccc2I)sc1C 2017981543 FFVRCRYNHKVBRK-CYBMUJFWSA-N 486.010 6.216 50 10 JKGE Cc1csc([C@@H](Cl)c2ccc(Br)cc2Br)c1Br 2024280277 XFXSPKVVXWFSJI-NSHDSACASA-N 459.428 6.672 50 10 JKGE CCc1sc(Br)cc1[C@H](Br)c1cccc(Br)c1F 2030219595 JJZQWYCQLRPXIA-GFCCVEGCSA-N 457.000 6.459 50 10 JKGE COc1sc([C@@H](Cl)c2ccc(I)c(Cl)c2)cc1Br 2034629511 NTMNKIBDFDCIDK-NSHDSACASA-N 477.976 6.105 50 10 JKGE Cn1cc(Br)c([C@H](Br)c2cc(Br)c(Cl)cc2F)n1 2036576346 IYZNEDPOAAFLRQ-SNVBAGLBSA-N 461.354 5.222 50 10 JKGE FC1(F)C[C@]12CC[C@@H]([C@@H](Br)c1cc(Br)c(Br)s1)C2 2038548696 JCTNWIULNDUQRV-KNBVPPQFSA-N 464.995 6.535 50 10 JKGE C[C@H](Sc1nnc(-c2sc3ccccc3c2Cl)o1)C(=O)C(C#N)=C1Nc2ccccc2S1 2040426418 SRNKQBPWARYXKY-NSHDSACASA-N 497.026 6.607 50 10 JKGE CCN(CC)CCN(Cc1ccccc1)c1cc(Br)cc(F)c1CBr 2051131501 LNZLGFAIYMVYEX-UHFFFAOYSA-N 472.240 5.832 50 10 JKGE CC(C)(C)OC(=O)N1CC[C@]2(CCC[C@H](CI)O2)CC12CCCCC2 2074143644 CHPGFDIDLKGJCN-OXQOHEQNSA-N 463.400 5.463 50 10 JKGE O=C(c1cc(Br)sc1Br)N1C[C@@H](Br)CC2(CCC2)C1 2095001075 VZOJEFKZPASYIS-QMMMGPOBSA-N 472.040 5.053 50 10 JKGE Cc1cc(CCl)cc(S(=O)(=O)N(Cc2ccccc2)CC(F)(F)F)c1Br 2095874661 XZRSRLPJYHQVLQ-UHFFFAOYSA-N 470.738 5.250 50 10 JKGE Fc1cc(Br)cc(N2CCN(Cc3ccccc3)CC(F)(F)C2)c1CBr 2114263962 GYOOSDHXBBCOJM-UHFFFAOYSA-N 492.177 5.441 50 10 JKGE Fc1cc(Br)c([C@H](Cl)c2cccc(I)c2)c(F)c1Cl 2136965757 CAYJMRGNTXOJTN-LLVKDONJSA-N 477.901 6.314 50 10 JKGE C[C@]1(Cn2c(CCl)nc3cc(Br)c(Cl)cc32)CCN(Cc2ccccc2)C1 2159872573 WPPIUCUUFZHSLP-NRFANRHFSA-N 467.238 6.103 50 10 JKGE Cc1c(Br)sc([C@H](Br)[C@@H]2CC23CCC(F)(F)CC3)c1Br 2163395410 GDWYSWOPAULQEK-WCBMZHEXSA-N 493.049 7.233 50 10 JKGE Clc1ccc(Br)cc1C[C@@H](CBr)Cc1cccc(Br)c1 2166829509 CVDNGIWVXATMQQ-LBPRGKRZSA-N 481.453 6.661 50 10 JKGE ClCc1nc2cc(Cl)c(Br)cc2n1Cc1cscc1Br 2169005793 HXTOGQRGPUNQOI-UHFFFAOYSA-N 455.002 6.063 50 10 JKGE BrCc1cc(Br)cc(Br)c1OCC12CCC(CC1)OC2 2192687262 NIXDVMRSLOBNJQ-UHFFFAOYSA-N 469.011 5.445 50 10 JKGE CC[C@@H]1CC[C@H](CC(CBr)(CBr)c2ccc(Br)cc2)O1 2201410456 GKWJUXQDWFHYIL-HUUCEWRRSA-N 469.055 5.824 50 10 JKGE COc1ccc(C[C@@H](Cl)c2ccc(Br)cc2I)cc1F 2207265545 SIRBNFFWQJTOEK-GFCCVEGCSA-N 469.519 5.724 50 10 JKGE CC[C@@H](Br)CN(Cc1ccccc1)C(=O)c1cc(C)c(Br)c(C)c1 2214686112 BLXFCUIPGFHSTQ-GOSISDBHSA-N 453.218 5.882 50 10 JKGE Clc1cc(Br)c([C@@H](Br)c2ccc(Br)o2)c(Cl)c1Cl 2217616883 AWAKOOVAZIIMTM-VIFPVBQESA-N 498.223 7.249 50 10 JKGE CC(C)n1nc(Br)cc1C[C@H](Br)c1cccc(Br)c1 2224273951 XJOPWTSISQCWBW-ZDUSSCGKSA-N 451.000 5.668 50 10 JKGE Cc1cc(Br)c([C@H](Br)C23CC(C2)[C@H](C)O3)c(C)c1Br 2227360239 QJOXMKPZLJWIRN-SWNPZRGKSA-N 453.012 5.832 50 10 JKGE Cc1cc(Br)c([C@@H](Br)[C@@H]2CC23CCCC3)c(C)c1Br 2227373471 ZYRPNZJYBUBZJM-NHYWBVRUSA-N 451.040 6.845 50 10 JKGE Brc1c([C@H](Br)c2cccc(I)c2)ccc2c1CCO2 2229741936 NXCZSTKVVJABSC-CQSZACIVSA-N 493.964 5.473 50 10 JKGE O=C(Nc1ccccc1CBr)c1ccc(Br)cc1I 2230676600 SEBBTSLGYXAIRL-UHFFFAOYSA-N 494.952 5.201 50 10 JKGE Fc1cccc(Cl)c1[C@@H](Br)c1c(Br)cc(Cl)c(Cl)c1Cl 2232513508 QWQLOHXRYCOCAL-NSHDSACASA-N 481.801 7.686 50 10 JKGE Cc1cc(Br)c([C@@H](Cl)c2cc(Br)ccc2Cl)c(C)c1Cl 2232527777 FIKLQGBASXTFSD-HNNXBMFYSA-N 457.420 7.463 50 10 JKGE Cn1nc([C@H](Cl)c2c(F)cc(F)c(Br)c2F)c(Br)c1Cl 2236111043 SLTJWLFPTKUIKW-MRVPVSSYSA-N 452.883 5.344 50 10 JKGE Cc1cc2sc([C@H](Br)Cc3ccc(Br)cc3Cl)cc2s1 2237436004 GHCPOQLJQCCPJM-LLVKDONJSA-N 450.648 7.366 50 10 JKGE C[C@@H](Cl)CN(Cc1ccccc1)C(=O)Cc1cc(Br)cc(Br)c1 2245972545 GAICKJLIGZYTAW-CYBMUJFWSA-N 459.609 5.410 50 10 JKGE Cc1cc(Br)c([C@@H](Br)c2nscc2Br)c(C)c1F 2253529435 YAHVKBVTKTWCFG-SNVBAGLBSA-N 457.988 5.908 50 10 JKGE Clc1ccc([C@@H](Cl)Cc2ccncc2Br)cc1I 2256337442 DGXXDCRWRBAAJR-LBPRGKRZSA-N 456.936 5.625 50 10 JKGE CC[C@@H](Oc1c(Br)cc(Br)cc1CBr)C(F)(F)F 2263895796 QUYGERUIVWMANJ-SECBINFHSA-N 454.906 5.826 50 10 JKGE CCc1cc(Br)c([C@@H](Br)c2cc(Br)c(F)cc2C)s1 2270429649 NWMZXBXRJNUGIU-ZDUSSCGKSA-N 471.027 6.767 50 10 JKGE Cc1c(Br)cccc1[C@@H](Br)c1cc2sc(Br)cc2s1 2278104673 ZGWNELZOAHRJFS-CQSZACIVSA-N 481.072 7.281 50 10 JKGE COc1cc(Cl)c(Cl)cc1[C@@H](Br)c1cccc(C)c1I 2279058277 OQJFAUWUXIIFOC-AWEZNQCLSA-N 485.974 6.399 50 10 JKGE CN(Cc1ccc(I)cc1)c1c(CBr)ccc(F)c1F 2280336326 QLSWYNKJFHVPAR-UHFFFAOYSA-N 452.080 5.101 50 10 JKGE O=C(Cc1cc(Br)cc(Br)c1)N[C@@H](CBr)c1cccs1 2295311824 PNYXKLSTYWCOEL-LBPRGKRZSA-N 482.035 5.068 50 10 JKGE CCOc1ccc(NC(=O)C(C#N)=Cc2cn(-c3ccccc3)nc2-c2ccc(OC)c(C)c2)cc1 2296705014 FEWHDJYKCANJFG-UHFFFAOYSA-N 478.552 5.801 50 10 JKGE Cc1ccccc1NC(=O)C(C#N)=Cc1cc(Cl)ccc1OCc1ccc(Cl)cc1Cl 2313541164 YDOZIFJIGPUVFW-UHFFFAOYSA-N 471.771 7.080 50 10 JKGE COc1cc(C=C(C#N)C(=O)Nc2sc3c(c2C#N)CCCC3)ccc1OCc1ccccc1 2313630526 NAOUFCYCXWDIBN-UHFFFAOYSA-N 469.566 5.632 50 10 JKGE COc1cc(C=C(C#N)C(=O)Nc2cc(Cl)ccc2Cl)ccc1OCc1ccc(Cl)cc1 2313631953 ZRBQQAKMZDQNTF-UHFFFAOYSA-N 487.770 6.780 50 10 JKGE N#CC(=Cc1ccccc1OCc1cccc(Cl)c1)C(=O)Nc1cccc(C(F)(F)F)c1 2313724570 JMEYUVCKYDHZHR-UHFFFAOYSA-N 456.851 6.483 50 10 JKGE Cc1ccc([C@@H](Br)c2ccc(OCc3ccccc3)cc2Br)cc1F 2314501295 WDIBZYINTVFXBC-OAQYLSRUSA-N 464.172 6.960 50 10 JKGE CCOC(=O)c1c(NC(=O)C(C#N)=Cc2ccc(O)c(OCC)c2)sc2c1CC[C@@H](CC)C2 2314572326 YNMPEPPHXFAIJH-OAHLLOKOSA-N 468.575 5.090 50 10 JKGE CCCCCCOc1ccc(C=C(C#N)C(=O)Nc2sc3c(c2C#N)CCCC3)cc1OC 2314716816 QWSNVZWWJJIUMF-UHFFFAOYSA-N 463.603 6.012 50 10 JKGE CCCCc1ccc(N(C(=O)C(C#N)=Cc2ccccc2OC)S(=O)(=O)c2ccccc2)cc1 2314777610 MQSYSGZUPJRXAK-UHFFFAOYSA-N 474.582 5.367 50 10 JKGE Brc1cc(Br)cc(COC2(CI)CCCCC2)c1 2315452722 FSXONLRLVHLVDG-UHFFFAOYSA-N 488.001 5.866 50 10 JKGE Clc1cc(I)c([C@H](Br)[C@@H]2C[C@H]3COC[C@H](C3)C2)s1 2316597679 VDKIKVNDDVFHEX-JDVQERKKSA-N 461.590 5.505 50 10 JKGE Clc1cc(I)c([C@H](Br)[C@@H]2C[C@@H]2C2CCCCC2)s1 2316771077 JQXXKBQWRYIMGW-GIPNMCIBSA-N 459.618 6.659 50 10 JKGE COCc1ccc([C@H](Br)c2ccc(OCc3ccccc3)cc2Br)s1 2319409829 YJUVFOBGJPUSDJ-HXUWFJFHSA-N 482.237 6.720 50 10 JKGE COc1cc(C=C(C#N)c2ccccc2OC)ccc1OC(=O)c1cc2ccccc2oc1=O 2320506218 FABNZFZVTGETJC-UHFFFAOYSA-N 453.450 5.094 50 10 JKGE C[C@H](NC(=O)C(C#N)=CNc1ccccc1Sc1ccccc1)C12CC3CC(CC(C3)C1)C2 2324900423 CWPGREMQOCDBIG-ZBBKGZSWSA-N 457.643 6.378 50 10 JKGE CC1(C)C[C@@H](CBr)CN1Cc1ccc(I)c(Br)c1 2325208650 IDTGXCFQFWTODJ-NSHDSACASA-N 487.017 5.049 50 10 JKGE CCCC[C@H](NC(=O)C=C(c1ccc(C)c(C)c1)C1CC1)C(=O)Nc1ccc(SC#N)cc1 2329599737 QCFJLIIYYWIXBB-VWLOTQADSA-N 461.631 5.984 50 10 JKGE COc1cc2nc(C(C#N)=Cc3ccccc3OCc3ccccc3Cl)nc(O)c2cc1OC 2331042685 XGZVMLOAXAICFT-UHFFFAOYSA-N 473.916 5.649 50 10 JKGE CCOc1cc(C=C(C#N)c2ccccc2[N+](=O)[O-])ccc1OCc1ccc(Br)cc1 2331066003 CGOXAIFXMFYSKG-UHFFFAOYSA-N 479.330 6.399 50 10 JKGE CCc1ccc(-c2csc(C(C#N)=C(O)c3ccc4c(c3)C(=O)N(CC(C)C)C4=O)n2)cc1 2331245462 OHOFJJPHRVSZQT-UHFFFAOYSA-N 457.555 5.574 50 10 JKGE C[C@H](Oc1ccc(Cl)cc1Cl)C(O)=C(C#N)c1nc(-c2c[nH]c3ccccc23)cs1 2331348988 HSCKKPXLIGDBPP-LBPRGKRZSA-N 456.354 6.858 50 10 JKGE CCOc1ccc(OCC)c(-c2csc(C(C#N)=C(O)c3cc([N+](=O)[O-])c(C)c([N+](=O)[O-])c3)n2)c1 2331376668 FIUMYSRIXVJCGI-UHFFFAOYSA-N 496.501 5.682 50 10 JKGE COc1ccc(-c2csc(C(C#N)=C(O)c3c(Cl)ccc(Cl)c3OC)n2)c(OC)c1 2331386822 RBTFQAPJZOCXFY-UHFFFAOYSA-N 463.342 6.093 50 10 JKGE COc1ccc(-c2csc(C(C#N)=C(O)C(c3ccccc3)c3ccccc3)n2)c2ccccc12 2331405023 GNJSBAWFKKLOAV-UHFFFAOYSA-N 474.585 7.597 50 10 JKGE COc1ccc(-c2csc(C(C#N)=C(O)COc3c(C)ccc(C)c3C)n2)c2ccccc12 2331406514 UUYVIUQBALITJV-UHFFFAOYSA-N 456.567 6.769 50 10 JKGE COc1cc(C=C(C#N)c2nc(-c3ccccc3Cl)cs2)ccc1OCCN1CCOCC1 2331430415 RJJVJWDKKDSXFJ-UHFFFAOYSA-N 482.005 5.247 50 10 JKGE CO[C@H]1C[C@@H]([C@H](Br)c2cc(Br)ccc2OCc2ccccc2)C[C@H]1OC 2336039536 XQVJYKITOPFCTE-ZFCZOSEKSA-N 484.228 5.904 50 10 JKGE Cc1cc(C)c([C@H](Br)c2ccc(OCc3ccccc3)cc2Br)c(C)c1 2336049201 AQKCHLYPSJZDCK-HSZRJFAPSA-N 474.236 7.438 50 10 JKGE Cc1cc(I)c(Oc2cccc(Cl)c2CBr)cc1Cl 2336550340 FHZUTXYQQVMCKV-UHFFFAOYSA-N 471.947 6.594 50 10 JKGE CC(C)(C)[C@@H]1C[C@H]1[C@@H](Br)c1c(Cl)cc(Br)c(F)c1Br 2337082643 OLPCWLRNUHSOFO-OPVBNTEQSA-N 477.437 7.122 50 10 JKGE Clc1ccc(CC[C@H](Cl)c2ccccc2Br)cc1I 2337218903 NPMZKVCKBDSFEX-ZDUSSCGKSA-N 469.975 6.620 50 10 JKGE CO[C@@H]1CC[C@H]([C@@H](Br)c2c(C)cc(Br)c(F)c2Br)C1 2339687102 RCOMSXKYBSLQSQ-YGOYTEALSA-N 458.991 5.910 50 10 JKGE FC1(F)CC[C@@H]2[C@@H]([C@H](Br)c3c(Br)cc(Cl)c(Cl)c3Cl)[C@@H]21 2358398671 GXLILTKYBWXKPB-QDSSYGLLSA-N 469.378 7.137 50 10 JKGE Fc1c(Br)cc(Cl)c([C@H](Br)C2CC3(CCCO3)C2)c1Br 2362227034 ZKEPVAVVQUVTRP-MIJJTYSQSA-N 491.420 6.399 50 10 JKGE COc1c(Br)cc(C)c([C@H](Cl)c2cc(Br)n(C)n2)c1Br 2365174955 BNAOTPVPQBZMNG-GFCCVEGCSA-N 487.417 5.353 50 10 JKGE COc1c(Br)cc(C)c([C@H](Br)[C@@]23C[C@@H]2[C@H](OC)C3)c1Br 2365191261 MMYJSSDGRMFWBA-RZYIQFRBSA-N 469.011 5.390 50 10 JKGE FC(F)(F)[C@@]1(CBr)CCN(Cc2cc(I)ccc2Cl)C1 2380510147 ZIBZKVBPWYRTNI-GFCCVEGCSA-N 482.509 5.094 50 10 JKGE CN(C[C@@H](Br)COCc1ccccc1)C(=O)C1CCC(CC(F)(F)F)CC1 2381925695 UZUXOLFXOMDBFU-VMWRSERWSA-N 450.339 5.184 50 10 JKGE CCOc1ccc(S(=O)(=O)Nc2ccc(C(=O)N/N=C3\C[C@H](C)CCC3=C(C)C)cc2)cc1 12499313 HHAGPPBFEAXQLG-FVKBZHMOSA-N 469.607 5.128 50 10 JKGE COc1cc(/C=C(/C#N)c2ccc(Cl)cc2)ccc1OC(=O)COc1ccccc1[N+](=O)[O-] 33467066 WHUJNWDVNDIAPG-PDGQHHTCSA-N 464.861 5.305 50 10 JKGE Cc1cccc(/C(C#N)=C\c2c(-c3ccc(Cl)cc3Cl)nc3sc4c(n23)CCCC4)c1 33706611 OUADHQMHFFPBQS-ATVHPVEESA-N 464.421 7.621 50 10 JKGE CCCCN(CC(=O)N1c2ccccc2-n2cccc2[C@H]1c1ccc(F)cc1)C(=O)C(C)(C)CCl 35707042 IUSZOBUBTJZUFH-AREMUKBSSA-N 496.026 5.946 50 10 JKGE N#CC1=C(N)Oc2cc(OC(=O)COc3cccc(Cl)c3)ccc2[C@@H]1c1cccc(Cl)c1 38651270 COAGQBRHTGCFBP-QHCPKHFHSA-N 467.308 5.196 50 10 JKGE C[C@H](Oc1ccccc1F)C(=O)Oc1ccc2c(c1)OC(N)=C(C#N)[C@H]2c1ccc(Cl)cc1Cl 38655431 FRVFKMUPPWPQEO-NPMABZOXSA-N 499.325 5.724 50 10 JKGE CCCCCCOc1ccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4ccco4)ccc32)cc1OC 38681992 ZIAJODNXYQXJES-SANMLTNESA-N 488.540 5.685 50 10 JKGE COc1cc(/C=C(\C#N)c2ccccc2)ccc1OC(=O)[C@H](CC(C)C)N1C(=O)c2ccccc2C1=O 40851137 MAFUBNZNYBIMSE-YHHBSCGTSA-N 494.547 5.376 50 10 JKGE N#C/C(=C/c1ccc(OCc2cccc(F)c2)cc1)C(=O)Nc1sc2c(c1C#N)CCCC2 59116617 FNCCDOPICORWMK-UNOMPAQXSA-N 457.530 5.762 50 10 JKGE COc1cc(/C=C(\C#N)C(=O)Nc2cc(C)ccc2C)ccc1OCc1ccc2c(c1)OCO2 59198838 HWNSUSDTXMOYBH-SRZZPIQSSA-N 456.498 5.165 50 10 JKGE N#C/C(=C/c1ccc(-c2ccc(Br)cc2)o1)C(=O)Nc1cc([N+](=O)[O-])ccc1Cl 103485362 PEPUCKCJXBRCFP-LCYFTJDESA-N 472.682 5.816 50 10 JKGE COc1ccc(Br)cc1[C@@H](Br)c1ccccc1I 109834736 LUNDXRQQJCELEH-AWEZNQCLSA-N 481.953 5.547 50 10 JKGE Clc1ccc(CC(CBr)(CBr)c2ccc(Br)cc2)s1 118671813 FCTDFSQFNGOYPC-UHFFFAOYSA-N 487.482 6.434 50 10 JKGE COc1csc([C@@H](Br)c2cc(Br)c(C)cc2Br)c1 128771562 DKXICBGKNNJYOR-ZDUSSCGKSA-N 455.009 6.074 50 10 JKGE Cc1cc(Br)c([C@@H](Br)c2cccc(C(F)(F)F)c2)cc1Br 128780190 ARCXLXAMCJETSM-AWEZNQCLSA-N 486.951 7.023 50 10 JKGE Cc1cc(Br)c([C@@H](Br)c2ccc3ccccc3c2)cc1Br 128812117 JBCXILKTNHGLEE-SFHVURJKSA-N 469.014 7.158 50 10 JKGE Clc1cc([C@H](Cl)c2cc(Br)ccc2Br)ccc1Br 148942363 SQHGAIDRVZWIOQ-ZDUSSCGKSA-N 473.817 6.956 50 10 JKGE CCOc1ccc([C@H](Br)c2ccc(Br)cc2OC)c(Br)c1 160787183 WANDRLIZSKLNPA-INIZCTEOSA-N 479.006 6.103 50 10 JKGE CC(C)C1CCC(CI)(OCc2ccccc2Br)CC1 162551531 RXQVXAFGFJEZFR-UHFFFAOYSA-N 451.186 5.986 50 10 JKGE CCc1ccc(-c2csc(NC(=O)/C(C#N)=C\c3ccc(C(C)C)cc3)c2C(=O)OC)cc1 207205244 FHJCJCRZZWROBM-HMAPJEAMSA-N 458.583 6.433 50 10 JKGE COc1ccc(-c2nn(-c3ccccc3)cc2/C=C2\C(=O)N(C3CCCC3)C(=O)C(C#N)=C2C)cc1C 214357724 SRUPAYBOCWWJAU-XYGWBWBKSA-N 492.579 5.391 50 10 JKGE N#C/C(=C/Nc1ccc(Br)cc1)C(=O)Nc1ccccc1Sc1ccccc1 217243255 XZGAQRAEXJLDLK-NXVVXOECSA-N 450.361 6.058 50 10 JKGE CC(=NNC(=O)c1cc(-c2ccc(C)c(C)c2)nc2ccccc12)c1cccc(NC(=O)C2CCC2)c1 252597547 CSNJMOUUTYZYHS-UHFFFAOYSA-N 490.607 6.411 50 10 JKGE COc1cc(C)ccc1C(=O)NN=Cc1cc(Cl)c(OCc2ccccc2Cl)c(OC)c1 252629177 UAJUHPNJXTXLIV-UHFFFAOYSA-N 473.356 5.662 50 10 JKGE CC(=NNC(=O)c1ccc2c(c1)OCO2)c1cccc(NC(=O)c2ccc(Cl)cc2Cl)c1 254398357 NWBZDLATUQPSSX-UHFFFAOYSA-N 470.312 5.128 50 10 JKGE CCN(CC)c1ccc(/C=C(/NC(=O)c2ccccc2)C(=O)NN=C/C(C)=C/c2ccccc2)cc1 254823820 ZKNQDTQBLAKPJQ-HXFDVWEASA-N 480.612 5.509 50 10 JKGE O=C(CCC(=O)Nc1ccc(Cl)cc1Cl)NN=C(/C=C/c1ccccc1)c1ccccc1 254906652 WPPPNSVDZXBBGK-CXJKFDMCSA-N 466.368 5.946 50 10 JKGE Brc1cccc([C@H](Br)c2cc(I)cc3c2OCC3)c1 311531324 GZGSACUILYMKSS-AWEZNQCLSA-N 493.964 5.473 50 10 JKGE BrCC(CBr)(COC1CCCC1)c1ccccc1Br 311680888 BKAZCMNDENPZNS-UHFFFAOYSA-N 455.028 5.436 50 10 JKGE CSc1ccccc1[C@H](Br)c1cc(I)cc2c1OCC2 312392239 TUMJMJTZVHJNBA-HNNXBMFYSA-N 461.162 5.432 50 10 JKGE CCOc1ccc(Br)cc1[C@H](Br)c1c(C)cccc1Br 312458929 AGAIBTFHSUOJRO-INIZCTEOSA-N 463.007 6.403 50 10 JKGE C[C@H]([C@@H]1CCN(Cc2ccccc2)C1)n1c(CCCl)nc2cc(I)ccc21 313041808 RMKSAGCLLKQFAJ-SJLPKXTDSA-N 493.820 5.505 50 10 JKGE Clc1ccc(I)c([C@H]2CN(Cc3ccccc3)C[C@H]2CBr)c1 382708399 GDBIYOIXEJAGMR-PBHICJAKSA-N 490.610 5.555 50 10 JKGE Cc1cc(C)c([C@H](Br)c2ccccc2OCc2ccccc2)c(C)c1Br 388484135 WAUFSDASCDCOPJ-HSZRJFAPSA-N 474.236 7.438 50 10 JKGE C[C@@H](CC(F)(F)F)CC(CBr)(CBr)c1cccc(Br)c1 402877046 CKQKHDWAYNZTOC-SNVBAGLBSA-N 480.988 6.455 50 10 JKGE Clc1cc([C@@H](Br)c2cccc(OCc3ccccc3)c2)c(Cl)c(Cl)c1Cl 404821321 DLIUUISGRWHCKJ-KRWDZBQOSA-N 491.039 8.364 50 10 JKGE C[C@@H](Cl)c1nc2ccccc2c(=O)n1CC1(N(Cc2ccccc2)Cc2ccccc2)COC1 707863326 ODZVYPHFXMISSE-OAQYLSRUSA-N 474.004 5.168 50 10 JKGE CC(=NNC(=O)[C@H](C)Sc1ccc(Cl)cc1)c1cccc(NC(=O)c2cccc(Cl)c2)c1 1084018229 YSIOOVQNIQOGKU-INIZCTEOSA-N 486.424 6.267 50 10 JKGE CCOc1ccc(C(=O)NN=Cc2cc(Cl)c(OCc3ccc(F)cc3)c(OCC)c2)cc1 1084091471 DXFFNIOTJJPTSY-UHFFFAOYSA-N 470.928 5.619 50 10 JKGE Cc1c(C(=O)Nc2cccc(C(F)(F)F)c2)oc2c1C(=NNC(=O)c1ccc(O)cc1)CCC2 1772744270 BQPZGCHAWMNTSY-UHFFFAOYSA-N 471.435 5.035 50 10 JKGE COc1cc(Cl)c(C)cc1NC(=O)COc1cccnc1NC(=O)Nc1ccc(SC#N)cc1 1858835196 KXBGEYREGWIWIU-UHFFFAOYSA-N 497.964 5.287 50 10 JKGE CCCc1nn(-c2ccc(OC)cc2)c2c1[C@H](c1ccc(Cl)c(Cl)c1)C(C#N)=C(N)O2 1865685427 IYUDNXZAEVPICQ-HXUWFJFHSA-N 455.345 5.358 50 10 JKGE N#CC1=C(N)Oc2c(c(C(F)(F)F)nn2Cc2ccc(Cl)c(Cl)c2)[C@@H]1c1ccccc1Cl 1865685879 OBKKEMUFEKGTOU-MRXNPFEDSA-N 499.707 6.129 50 10 JKGE Cc1nn(-c2ccc(Cl)cc2)c2c1[C@H](c1ccc(OCc3ccccc3)cc1)C(C#N)=C(N)O2 1865690176 KSXACOYMWBVVAY-RUZDIDTESA-N 468.944 5.631 50 10 JKGE CCCOc1cccc([C@H]2C(C#N)=C(N)Oc3c2c(-c2ccccc2)nn3Cc2ccccc2F)c1 1865694633 YBLHNQMHEZIIEA-VWLOTQADSA-N 480.543 5.744 50 10 JKGE CC(C)c1nc(Nc2ccc(SC#N)cc2)cc(N2CCC(N3CCCCCC3)CC2)n1 1868231795 SDAQCARZKPGFJL-UHFFFAOYSA-N 450.656 5.762 50 10 JKGE CCn1c(/C(C#N)=C/c2ccc(OC)c(OCc3ccc(Cl)c(Cl)c3)c2)nc2ccccc21 1872730354 CRFFPAJCGKNNAT-XDHOZWIPSA-N 478.379 7.015 50 10 JKGE Cc1c([N+](=O)[O-])cc(/C(O)=C(\C#N)c2nc(-c3ccc(Cl)c(Cl)c3)cs2)cc1[N+](=O)[O-] 1872749149 DBIGXDZCWVRJGS-PDGQHHTCSA-N 477.285 6.192 50 10 JKGE CC[C@H](C)[C@@H](/C(O)=C(\C#N)c1nc(-c2ccc(F)c(F)c2)cs1)N1C(=O)c2ccccc2C1=O 1872751678 SDSDXENRFPMQCB-WGSKNTRPSA-N 479.508 5.592 50 10 JKGE COc1cc(C)c(-c2csc(/C(C#N)=C(O)/C=C/c3ccc([N+](=O)[O-])cc3)n2)cc1C(C)C 1872753764 LUSJWLVAJZEMCE-SZMIEORPSA-N 461.543 6.665 50 10 JKGE Cc1cc(C)c(C)c(-c2csc(/C(C#N)=C(\O)c3ccc4c(c3)C(=O)N(C(C)C)C4=O)n2)c1C 1872754384 QEKRRAKDFDVBIW-FLFQWRMESA-N 471.582 5.998 50 10 JKGE Cc1cc(C)c(C)c(-c2csc(/C(C#N)=C(\O)C(c3ccccc3)c3ccccc3)n2)c1C 1872754497 VXGHMCKJJXVLAQ-COOPMVRXSA-N 450.607 7.669 50 10 JKGE COc1ccc(-c2csc(/C(C#N)=C(O)/C=C\c3ccc4c(c3)OCCO4)n2)c(OC)c1OC 1872759354 LOVXWNXQGBXIPE-YOZCMGGESA-N 478.526 5.113 50 10 JKGE COc1ccc(C)cc1-c1csc(/C(C#N)=C/c2ccccc2OCc2ccccc2Cl)n1 1872791829 UQCZEDYPLMLLQE-KGENOOAVSA-N 472.997 7.424 50 10 JKGE C[C@H](Br)CN(Cc1ccccc1)Cc1sccc1I 1888197839 DZFUYKYJLZPSMI-LBPRGKRZSA-N 450.183 5.138 50 10 JKGE O=C(c1cc(Br)sc1Br)N(CCCBr)Cc1ccccc1 1914611028 OHGSGXOPBHJGML-UHFFFAOYSA-N 496.062 5.701 50 10 JKGE Brc1cc(Br)c([C@H](Br)[C@]23CCCC[C@H]2CCC3)s1 1922893272 FHMQNLCUTMHMFY-HERUPUMHSA-N 457.069 7.070 50 10 JKGE CC[C@H](CC(F)(F)F)[C@@H](Br)c1sc(Br)c(C)c1Br 1922894762 OCJXCRNJPNTWKR-HTRCEHHLSA-N 472.990 6.996 50 10 JKGE Cc1c(Br)sc([C@@H](Cl)c2csc(Br)c2)c1Br 1922928832 CYPNKSZVXJXZRL-QMMMGPOBSA-N 465.457 6.734 50 10 JKGE Cc1c(Br)sc([C@@H](Br)c2ccc(F)c(Cl)c2)c1Br 1922953311 BRQVZNUSIQNMEP-JTQLQIEISA-N 477.418 6.858 50 10 JKGE FC1(F)[C@H]([C@@H](Br)c2c(Br)sc(Br)c2Cl)C12CCC2 1923067632 GNDOQYVKSYAMOK-CAHLUQPWSA-N 485.413 6.798 50 10 JKGE C[C@]1([C@H](Br)c2c(Br)sc(Br)c2Br)CCCO1 1924579401 DZQNJYXGUPBNLC-GMSGAONNSA-N 497.872 6.041 50 10 JKGE Fc1ccc([C@@H](Cl)c2c(Br)sc(Br)c2Br)c(F)c1 1924591222 OLEQBLONLQVFBS-SECBINFHSA-N 481.381 6.642 50 10 JKGE Clc1sc(Br)c(Cl)c1[C@H](Br)c1cc2c(s1)CCCC2 1925588170 DLMGHDQXUMWEJT-SNVBAGLBSA-N 461.071 7.242 50 10 JKGE C[C@]1(CBr)CC[C@@H](c2ccc(OCc3ccccc3)c(OCc3ccccc3)c2)O1 1989167946 XZQNFUNFZUUSKV-JYFHCDHNSA-N 467.403 6.850 50 10 JKGE FCCC1([C@H](Cl)c2c(Br)sc(Br)c2Br)CC1 1990545981 SFDNXQNFPYBHPC-SSDOTTSWSA-N 455.412 6.455 50 10 JKGE CCc1nc([C@H](Br)c2cc(Br)c(C)s2)c(Br)s1 2003570868 VNMDUADTPQLMLS-SECBINFHSA-N 460.054 6.085 50 10 JKGE CCC(CC)(CBr)CNC(=O)c1csc(Br)c1Br 2032953507 KLGNOUSQXGARCW-UHFFFAOYSA-N 462.045 5.204 50 10 JKGE Clc1cccc(Br)c1[C@@H](Br)Cc1ccc(Br)cc1 2050318885 KGTVGBFNYBLBEP-LBPRGKRZSA-N 453.399 6.544 50 10 JKGE BrCc1cc(C2CCCCC2)nn1Cc1cccc(I)c1 2070039606 VQTOJGUVFYRSGQ-UHFFFAOYSA-N 459.169 5.479 50 10 JKGE C[C@@H]1Cc2cc([C@@H](Br)c3sncc3Br)cc(Br)c2O1 2090457339 AXCBXJBLWCOCNS-KSBSHMNSSA-N 468.008 5.476 50 10 JKGE C[C@H](CBr)[C@H]1CCCCN1Cc1ccc(Br)cc1Br 2092266378 LLKCRRICPCAEQE-IAQYHMDHSA-N 454.044 5.597 50 10 JKGE C[C@@H]1[C@@H](Br)C[C@H]2CC[C@H]1N2Cc1c(Br)cccc1Br 2094103125 XMSPXBIOTMDDHV-ZMRCNFHJSA-N 452.028 5.348 50 10 JKGE C[C@@]1(C(F)(F)F)C[C@@]1(CBr)Cc1ccc(Br)cc1Br 2105514286 RADDXCABHJOTMG-VXGBXAGGSA-N 464.945 6.108 50 10 JKGE Clc1ccccc1[C@H](Br)CCc1cccc(Br)c1Br 2113491851 UUBPXNLRCAXMOB-GFCCVEGCSA-N 467.426 6.934 50 10 JKGE CC[C@H](Br)[C@@H]1CCCCN1C(=O)c1scc(Br)c1Br 2114203051 GBPQQWFJKWIMQJ-WPRPVWTQSA-N 474.056 5.441 50 10 JKGE C[C@@H](CCCCCI)NC(=O)c1ccc(Cl)cc1Br 2117892883 GFAMIROIWKENQK-JTQLQIEISA-N 458.565 5.216 50 10 JKGE CCC[C@H](Cl)c1cn(-c2cc(Br)c(Br)c(Br)c2)nn1 2121069163 XOUCPDDVUYCTOF-JTQLQIEISA-N 472.406 5.635 50 10 JKGE Cc1cc(Br)c(C)c([C@H](Br)[C@@H]2OCCO[C@H]2C)c1Br 2136370623 OZVCFUKUSIPFCB-QCZZGDTMSA-N 457.000 5.068 50 10 JKGE CO[C@@H]1CC([C@H](Br)c2ccc(Br)cc2Br)C[C@H]1OC 2138870319 IJFGOLUWUGMTTI-MCIONIFRSA-N 457.000 5.088 50 10 JKGE Brc1ccc([C@H](Br)C(C2CCC2)C2CCC2)c(Br)c1 2138875235 CZELTRKGMHCNDR-INIZCTEOSA-N 451.040 6.864 50 10 JKGE COc1ccc(C(C)C)cc1[C@H](Br)c1cc(I)sn1 2139061998 BNURSAGXFBSFMQ-AWEZNQCLSA-N 452.155 5.364 50 10 JKGE Cc1cc(F)c(F)cc1[C@H](Br)c1ccc(Br)cc1Br 2139643349 ORNWEWBIEROVQE-CQSZACIVSA-N 454.934 6.283 50 10 JKGE CCc1cccc(CBr)c1OCc1cccc(Br)c1Br 2148750014 JXSBJSGHNJPNQG-UHFFFAOYSA-N 463.007 6.248 50 10 JKGE CC12CC([C@H](Cl)c3c(Br)sc(Br)c3Cl)(C1)C1(CCC1)O2 2157463852 DZNMSCODUOOQAF-UHEGKEBESA-N 461.046 6.698 50 10 JKGE Fc1ccc(N2CC[C@@]3(CCCN(Cc4ccccc4)C3)C2)c(CBr)c1Cl 2163318846 QUZHEEUALJNNQC-JOCHJYFZSA-N 451.811 5.867 50 10 JKGE CN(C[C@@H](Br)C1CCCCC1)C(=O)c1scc(Br)c1Br 2167643333 NGDSTRXYBCSMRU-SNVBAGLBSA-N 488.083 5.689 50 10 JKGE ClCc1nc2cc(Cl)c(Br)cc2n1Cc1sccc1Br 2169018792 DQLHBHCZDTZPAG-UHFFFAOYSA-N 455.002 6.063 50 10 JKGE Cc1cc(Br)c(CBr)c(N(C)Cc2scc(C)c2Br)c1 2173444718 NXFJCTZLUDUOQZ-UHFFFAOYSA-N 482.079 6.421 50 10 JKGE Cc1cc(Br)c(C)c([C@H](Br)[C@H](CC(C)C)C(C)C)c1Br 2201063212 CGAYHTCEQPOCGS-CXAGYDPISA-N 469.099 7.583 50 10 JKGE CCc1nc([C@H](Br)c2cc(C)cc(Br)c2OC)c(Br)s1 2203813000 PKIAMGZATIPHPH-LLVKDONJSA-N 484.051 6.032 50 10 JKGE Clc1cc([C@@H](Br)c2ccc(-c3cccs3)s2)ccc1I 2205863042 VGMVRSRECFVJEG-OAHLLOKOSA-N 495.632 7.219 50 10 JKGE COc1c(C)cc(Br)cc1[C@@H](Br)c1c(F)cccc1Br 2206566546 JIUXDADUYCJUTA-CQSZACIVSA-N 466.970 6.152 50 10 JKGE COc1cc(F)c(Cl)cc1[C@@H](Br)c1ccc(Br)cc1Br 2207360194 CGMPGYSPISJZEK-AWEZNQCLSA-N 487.388 6.497 50 10 JKGE Cc1csc([C@@H](Br)c2sc(Br)c(C)c2C)c1Br 2213621464 XXIXHKKHCBNFNB-VIFPVBQESA-N 459.066 6.744 50 10 JKGE Cl[C@H](c1c(Br)sc(Br)c1Br)[C@@H]1OC[C@@H]2CCC[C@@H]21 2218088862 HZHIDOUHMQYFFM-DWAQLAQLSA-N 479.459 6.131 50 10 JKGE Clc1cc(Br)ccc1C[C@@H](Cl)c1cc(Br)sc1Br 2221700590 UPXRFIOTJIAIME-SNVBAGLBSA-N 493.873 7.212 50 10 JKGE Fc1cc(Br)c(Br)cc1[C@@H](Br)C12CCC(CC1)OC2 2225615887 AOGMGCWESQPOSP-FEUBCLPYSA-N 456.975 5.746 50 10 JKGE Fc1cc(Br)c(Br)cc1[C@@H](Br)C1CC(C(F)(F)F)C1 2225616784 QBAUIECHBQVYGW-HPPGLBNUSA-N 468.908 6.375 50 10 JKGE Clc1cc([C@H](Br)Cc2ccc(Br)cc2Cl)ccc1Br 2229149907 IFAUFVLYGJOSLF-GFCCVEGCSA-N 487.844 7.197 50 10 JKGE Clc1cc(Br)c([C@@H](Br)[C@@H]2C[C@@H]3CCC[C@@H]3C2)c(Cl)c1Cl 2232513012 VUCBBSNQORJEHT-QARKVSRYSA-N 461.452 7.672 50 10 JKGE C[C@@H]1CC[C@](C)([C@@H](Br)c2cc(Br)c(Br)cc2F)C1(C)C 2233977519 VQTFQJPOCNKQJV-WKFLNTIRSA-N 471.046 7.249 50 10 JKGE Cc1sc([C@@H](Br)c2cc(Br)cc3c2O[C@@H](C)C3)cc1Br 2234480155 PGTIRONTEHVSBA-WJWGPLDTSA-N 481.047 6.389 50 10 JKGE Cc1cc(Br)c([C@H](Br)[C@@]2(C)C[C@H]2C(F)(F)F)c(C)c1Br 2235604797 HPXVOFMJUXAOBZ-ICCXJUOJSA-N 478.972 6.853 50 10 JKGE CCCCCCCCCO[C@H](CI)c1cccc(Br)c1 2239550646 CRTNTMKXUAVOMF-QGZVFWFLSA-N 453.202 6.692 50 10 JKGE COc1cc(Cl)c([C@@H](Br)c2cc(C)ccc2I)cc1Cl 2240998730 YZIDTPBSLVSMDI-OAHLLOKOSA-N 485.974 6.399 50 10 JKGE COc1c([C@H](Br)c2cc(Br)ccc2Br)csc1Cl 2256862142 IBMULPHZDOJNAA-SNVBAGLBSA-N 475.427 6.419 50 10 JKGE COc1ccc([C@H](Br)c2ccc(Cl)c(I)c2)c(F)c1 2268278362 OMERXHYLNGROSX-CQSZACIVSA-N 455.492 5.577 50 10 JKGE CCC1CC(C[C@@H](Br)c2c(F)cc(Br)c(F)c2Br)C1 2272720846 AOJXNJQPMLBNTE-AMDVSUOASA-N 460.982 6.752 50 10 JKGE CC[C@@H]1CC[C@@H]([C@@H](Br)c2c(F)cc(Br)c(F)c2Br)O1 2272722597 UBWZXORTGGUDQT-OUAIYISWSA-N 462.954 5.883 50 10 JKGE COc1ccsc1[C@H](Br)c1c(F)cc(Br)c(F)c1Br 2272740188 PTPDGEQBLVLTSJ-SNVBAGLBSA-N 476.962 6.044 50 10 JKGE Cc1cccc([C@@H](Br)c2c(F)cc(Br)c(F)c2Br)c1 2272849578 JXYIKXKYVVRIMM-GFCCVEGCSA-N 454.934 6.283 50 10 JKGE FCC12CC([C@@H](Br)Cc3cc(Br)cc(Br)c3)(CO1)C2 2277956395 QYDGFGSMJMRQTR-HSBZDZAISA-N 456.975 5.036 50 10 JKGE Fc1cc(Br)ccc1CO[C@H](CBr)c1ccc(Br)cc1 2281371476 GXNJRWXSIYETNJ-OAHLLOKOSA-N 466.970 6.004 50 10 JKGE COc1cc(Cl)c(Cl)cc1[C@H](Br)c1c(F)cccc1I 2282786625 HSUULVXBGRXCOG-AWEZNQCLSA-N 489.937 6.230 50 10 JKGE CCCCCCCOc1ccc(C=C(C#N)C(=O)Nc2ncc(Cc3ccc(C)cc3)s2)cc1 2293038947 KNKVXHCMLJYKCY-UHFFFAOYSA-N 473.642 6.937 50 10 JKGE C#CCOc1cc(Br)c(C=C(C#N)C(=O)Nc2cccc(Cl)c2)cc1OCC 2294146964 LRXZGGNXCCWAHL-UHFFFAOYSA-N 459.727 5.059 50 10 JKGE COc1c(Br)cc([C@@H](Cl)c2cscc2OCc2ccccc2)c(OC)c1C 2295417257 SNVIXEKIIBYHFZ-LJQANCHMSA-N 467.812 6.743 50 10 JKGE Brc1ccc(OCc2ccccc2)c([C@@H](Br)[C@@]23CCOC[C@@H]2C3)c1 2299521439 GNJOXPPOKCCCKV-CWFSZBLJSA-N 452.186 5.891 50 10 JKGE Cc1ccc(NC(=O)C(C#N)=Cc2ccc(OCc3ccccc3F)c(Br)c2)cc1 2313567053 BXIUCIRXQRTECI-UHFFFAOYSA-N 465.322 6.021 50 10 JKGE N#CC(=Cc1ccc(-c2ccc(S(N)(=O)=O)cc2)o1)c1nc(-c2ccc(Cl)cc2)cs1 2314482212 BZDOMXQUXKLTOU-UHFFFAOYSA-N 467.959 5.435 50 10 JKGE Cc1ccc2nc(-c3ccc(NC=C(C#N)C(=O)Nc4c(C)cccc4C(C)C)cc3)sc2c1 2318454892 INCMOEULZAOCHA-UHFFFAOYSA-N 466.610 7.162 50 10 JKGE C[C@H]1CC2CC([C@H](Br)c3ccc(OCc4ccccc4)cc3Br)(C2)O1 2319526937 XKWBIYXQIIZUGH-QQXDYHRVSA-N 466.213 6.422 50 10 JKGE CCCOc1ccc(-c2csc(C(C#N)=C(O)c3ccccc3C(=O)c3ccccc3)n2)cc1 2331318559 ZQCBYGYREMDLOD-UHFFFAOYSA-N 466.562 6.780 50 10 JKGE CCCCCCCOc1ccc(-c2csc(C(C#N)=C(O)Cc3ccc(OCC)cc3)n2)cc1 2331344699 GTWVSDHBIIWFTG-UHFFFAOYSA-N 476.642 7.593 50 10 JKGE Cc1cc(C)c(-c2csc(C(C#N)=C(O)[C@H](CC(C)C)N3C(=O)c4ccccc4C3=O)n2)c(C)c1 2331393039 HJNPJRSDTPODLL-QHCPKHFHSA-N 485.609 6.239 50 10 JKGE CCCCCCOc1ccc(C=C(C#N)c2nc(-c3ccc(OC)c(F)c3)cs2)cc1OC 2331455863 UFKCSUSBKNITDI-UHFFFAOYSA-N 466.578 6.990 50 10 JKGE Fc1cc(Br)c(Br)cc1[C@H](Br)[C@@H]1C[C@@H]2O[C@H]1[C@H]1C[C@@H]21 2333605635 SSWZHDVUCDIUNG-HZRDPTMTSA-N 454.959 5.210 50 10 JKGE CC1(C)[C@H]2CC[C@@H](C2)[C@H]1[C@@H](Br)c1ccc(OCc2ccccc2)cc1Br 2336052880 FBIDBBIDFQMMCO-FHQLIMNDSA-N 478.268 7.536 50 10 JKGE CC1CCC([C@H](Br)c2c(Cl)cc(Br)c(F)c2Br)CC1 2337092217 NDIOWAHBMWCAQW-TYAJBCFHSA-N 477.437 7.266 50 10 JKGE Fc1c(Br)cc(Cl)c([C@@H](Br)[C@H]2[C@H]3C[C@@H]4[C@H]2[C@@H]4C3)c1Br 2337106112 FFBCCWCTJAHZCO-MRPMVSBPSA-N 473.405 6.342 50 10 JKGE Clc1sc(Br)c(Cl)c1[C@H](Br)[C@H]1COC2(CCC2)CO1 2338784850 RMZLDGVFOKZZON-HTRCEHHLSA-N 451.007 5.592 50 10 JKGE C[C@H]1CCC[C@@](CCl)(Cc2ccc(I)c(Br)c2)CC1 2349838034 AEWSMPOAJHSXIQ-LRDDRELGSA-N 455.605 6.422 50 10 JKGE Brc1cc(OCc2ccccc2)ccc1[C@H](Br)[C@@H]1C[C@H]1C1CCCCCC1 2361200662 LNIMGOVUDOWDSM-ZDXQCDESSA-N 492.295 8.071 50 10 JKGE Fc1c(Br)cc(Cl)c([C@H](Cl)[C@@H]2CCC[C@@H]2C(F)F)c1Br 2362226748 ZCCJBOZRJWXFKI-LJNABYEQSA-N 454.939 6.965 50 10 JKGE COc1c(Br)cc(C)c([C@H](Br)[C@@H](C)C2CCCC2)c1Br 2365191749 QWJMAJULQBNGGQ-IINYFYTJSA-N 469.055 6.791 50 10 JKGE CCc1ccc([C@@H](Br)c2c(C)cc(Br)c(F)c2Br)cc1 2365215864 OCOGFZZOGUHXKT-CQSZACIVSA-N 464.998 6.706 50 10 JKGE CC(C)O[C@H]1CCC[C@@H]1Oc1c(Br)cc(CBr)cc1Br 2371026168 PXHRDJWDXVICLR-KBPBESRZSA-N 471.027 5.831 50 10 JKGE N#CC(C(=O)Nc1ccc(Cl)cc1)=C(SCc1cccc(F)c1)SCc1cccc(F)c1 3059065 APZULCXUZNJBLG-UHFFFAOYSA-N 486.996 7.159 50 10 JKGE CC(C)(C)c1ccc(CS/C(Nc2ccccc2F)=C(/C#N)S(=O)(=O)c2ccccc2)cc1 12437638 YNXXJLHXCTXRDH-IZHYLOQSSA-N 480.630 6.635 50 10 JKGE CC(C)CCOc1ccc(C(=O)NNC(=O)C(c2ccccc2)c2ccccc2)cc1Br 14645624 INKMKWCSAVMHAZ-UHFFFAOYSA-N 495.417 5.467 50 10 JKGE Cc1cccc(C)c1N/C(SCc1ccccc1F)=C(/C#N)S(=O)(=O)c1ccccc1 20325014 LERLRXDDRXAGLY-ZNTNEXAZSA-N 452.576 5.954 50 10 JKGE COc1cc(/C=C(/C#N)c2ccccc2OC)ccc1OC(=O)c1ccc(Br)cc1 31901937 DFBFUOQSBDIXFO-AQTBWJFISA-N 464.315 5.750 50 10 JKGE BrCCCOc1c(Br)cc(Br)cc1Br 36724010 FKRVRTNDBKCDEZ-UHFFFAOYSA-N 451.778 5.138 50 10 JKGE COc1ccccc1OCC(=O)Oc1ccc2c(c1)OC(N)=C(C#N)[C@H]2c1ccc(C(C)(C)C)cc1 38649722 NKQYYIWFWPYYHB-MHZLTWQESA-N 484.552 5.195 50 10 JKGE N#CC1=C(N)Oc2cc(OC(=O)Cc3ccccc3)ccc2[C@@H]1c1ccc(OCc2ccccc2)cc1 38650946 YVRFKUDFZWJYNH-PMERELPUSA-N 488.543 5.632 50 10 JKGE N#CC1=C(N)Oc2cc(OC(=O)c3cccc(Cl)c3)ccc2[C@@H]1c1cccc(Oc2ccccc2)c1 38660925 WVUGQPCTRZIXMZ-MHZLTWQESA-N 494.934 6.570 50 10 JKGE Cc1cccc(OCC(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@H]3c2c(Cl)cccc2Cl)c1 38679686 WRTUUSZFFNOYLI-QHCPKHFHSA-N 481.335 5.504 50 10 JKGE N#CC1=C(N)Oc2cc(OC(=O)c3sc4ccccc4c3Cl)ccc2[C@@H]1c1ccc(Cl)cc1 38687746 RFCKFZFJKWWFMP-NRFANRHFSA-N 493.371 6.645 50 10 JKGE C=CCOc1cccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4oc5cc(C)ccc5c4C)ccc32)c1 38701075 DHEVNJYUNUWWRN-MHZLTWQESA-N 492.531 6.052 50 10 JKGE Cc1nn(-c2ccccc2)c2c1/C(=N/NC(=O)C(c1ccccc1)c1ccccc1)CC(C)(C)C2 39853293 CEVVYIFLZLFLRN-QCKNELIISA-N 462.597 5.806 50 10 JKGE C=CCOc1cccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)Cc4ccc(Cl)cc4)ccc32)c1 40529927 LGQVPKYXVGAVDL-AREMUKBSSA-N 472.928 5.271 50 10 JKGE Nc1c(NNC(=O)C(c2ccccc2)c2ccccc2)ncnc1Nc1ccc(Cl)c(Cl)c1 40704213 WAVGOSDLYRTLAN-UHFFFAOYSA-N 479.371 5.384 50 10 JKGE Cc1ccc(NC(=O)c2oc3c(c2C)/C(=N/NC(=O)c2ccccc2Br)CCC3)cc1C 40812860 GDRCGSDBMSUCIM-VFCFBJKWSA-N 494.389 5.690 50 10 JKGE Cc1c(Cl)cccc1NC(=O)c1oc2c(c1C)/C(=N/NC(=O)c1cccc(Cl)c1)CCC2 40813301 NVMMXNRXVILRTO-TURZUDJPSA-N 470.356 5.926 50 10 JKGE N#C/C(=C\c1ccc(OC(=O)/C=C/c2ccc(Cl)c(Cl)c2)cc1)C(=O)NCc1ccco1 40926981 YUGBATNUWAPQEN-PDDUZAPNSA-N 467.308 5.429 50 10 JKGE COc1cc(/C=N/NC(=O)CSc2nnc(-c3ccccc3)s2)ccc1OCc1ccccc1 40947698 ALKGVFLKHYSAAL-CVKSISIWSA-N 490.610 5.035 50 10 JKGE CCCOc1ccccc1/C=C(\C#N)C(=O)Nc1ccc(-c2nc3ccc(C)cc3s2)cc1 40948966 XQDZHGUNLHFKJX-LTGZKZEYSA-N 453.567 6.606 50 10 JKGE CCOc1cc(/C=N/NC(=O)CCCOc2ccc(C(C)(C)C)cc2Br)ccc1O 40951396 OLKUZVARUGOBAP-MFKUBSTISA-N 477.399 5.160 50 10 JKGE COc1cccc(/C=C(\C#N)C(=O)Nc2ccc(Cl)cc2)c1OCc1ccc(Cl)cc1 59116872 XCRVQCVPGFUHRE-QGOAFFKASA-N 453.325 6.127 50 10 JKGE Fc1cc(Br)c(Cl)cc1[C@H](Cl)c1cccc(I)c1 97895542 QKZBHCZEUDIDEV-CYBMUJFWSA-N 459.911 6.174 50 10 JKGE CCc1ccc(N2C(=O)[C@@H](Cc3ccccc3F)S/C2=C(/C#N)C(=O)N[C@H](C)c2ccccc2)cc1 101242923 IHNIYADEBSZMPF-KBTBGYQISA-N 499.611 5.692 50 10 JKGE CC[C@H](C)N1C(=O)C(C#N)=C(C)/C(=C\c2cn(-c3ccccc3)nc2-c2ccc(C)cc2)C1=O 101334144 YKDWGSPCCGZFFI-WWJLXRQJSA-N 450.542 5.239 50 10 JKGE Cc1ccc(C(CBr)(CBr)Cc2cc(F)ccc2Br)cc1 118876717 WHOAJGFOFSFRGA-UHFFFAOYSA-N 479.025 6.167 50 10 JKGE Cc1cc(Br)c([C@@H](Cl)c2ccc(Br)c(F)c2)cc1Br 128679225 AMVHBDPXSVAVIU-AWEZNQCLSA-N 471.389 6.750 50 10 JKGE Cc1cc(C)c([C@H](Br)c2cc(Br)c(C)cc2Br)c(C)c1 128777774 MELSCCPHRJBRQX-QGZVFWFLSA-N 461.035 6.930 50 10 JKGE Cc1cc(Br)c([C@H](Br)c2ccc(F)cc2F)cc1Br 128832930 XHTDQRKSVMESGJ-CQSZACIVSA-N 454.934 6.283 50 10 JKGE N#C/C(=C/Nc1ccccc1Sc1ccccc1)C(=O)N1CCN(Cc2ccccc2)CC1 217257179 WHQDALIKSHDDGL-ATJXCDBQSA-N 454.599 5.002 50 10 JKGE CCCOc1ccc([C@H](Br)c2ccc(C)cc2Br)cc1Br 229005176 GSDZXBJZUNENIP-KRWDZBQOSA-N 477.034 6.793 50 10 JKGE Brc1cccc(C[C@H](Br)c2ccc(Br)cc2Br)c1 232474351 JAHLYNDSDQOPRL-ZDUSSCGKSA-N 497.850 6.653 50 10 JKGE COc1ccc([C@H](Br)c2cccc(Br)c2F)c(Br)c1 235000073 CPLBHAVMSQRSIY-ZDUSSCGKSA-N 452.943 5.844 50 10 JKGE C[C@@H](c1ccncc1)[C@H](Br)c1cc(I)ccc1Br 235576526 QZMGFNZNFQNJBF-XPTSAGLGSA-N 480.969 5.688 50 10 JKGE Clc1ccc(Br)c([C@@H](Br)c2csc3c(Br)cccc23)c1 236056226 DOPBMHAOWDUEIF-CQSZACIVSA-N 495.461 7.564 50 10 JKGE Fc1cccc(C[C@@H](Br)c2cc(I)ccc2Br)c1 236202479 RXIMAONNWXBJNS-CQSZACIVSA-N 483.944 5.872 50 10 JKGE ClC(=NC(=C(Cl)Cl)[P+](c1ccccc1)(c1ccccc1)c1ccccc1)c1ccccc1 253531714 KFVVPWWZJJLJRS-UHFFFAOYSA-N 495.797 7.270 50 10 JKGE Cc1ccc(-n2c(C)cc(C=NNC(=O)c3ccc(CN4CCc5ccccc5C4)cc3)c2C)cc1C 254448221 GUHAJQSECAVRKX-UHFFFAOYSA-N 490.651 6.033 50 10 JKGE CC(C)(C)CC(C)(C)c1ccc(OCC(=O)NN=Cc2ccc(-c3ccc([N+](=O)[O-])cc3)o2)cc1 254659276 RTAMMIGLXUHKCL-UHFFFAOYSA-N 477.561 6.098 50 10 JKGE CCN(CC)c1ccc(C=NNC(=O)c2ccc(CSc3nc4ccccc4s3)cc2)cc1 254759097 MNRSTXBNIPBFPR-UHFFFAOYSA-N 474.655 6.199 50 10 JKGE C[C@@H]1CCC[C@@H](CO[C@@]2(CI)CCCN(C(=O)OC(C)(C)C)C2)C1 304193248 WBICWRYYZIAACA-GPMSIDNRSA-N 451.389 5.034 50 10 JKGE O=C(OCc1ccccc1)N1C[C@H](CBr)[C@H](c2c(F)cccc2Br)C1 382698416 YVGVVWPDQBFOCQ-LSDHHAIUSA-N 471.164 5.335 50 10 JKGE ClCCc1nc2ccc(Cl)cc2n1CCCN(Cc1ccccc1)Cc1ccccc1 390594131 TXWHUSSVORZKEL-UHFFFAOYSA-N 452.429 6.564 50 10 JKGE Fc1cc(Br)c([C@H](Br)c2ccc(Br)c(Cl)c2)c(F)c1F 398740810 QIBAGZSOYIQADJ-LLVKDONJSA-N 493.342 6.767 50 10 JKGE C[C@@H](CC(F)(F)F)CC(CBr)(CBr)c1ccccc1Br 402925561 JQNVNGXKQKWSTK-SNVBAGLBSA-N 480.988 6.455 50 10 JKGE C[C@@H]1CC[C@@H](C(C)(C)Cc2cc(Cl)ccc2I)[C@H](Br)C1 405238267 ZVUKWZKOWMXRMS-KCPJHIHWSA-N 469.632 6.713 50 10 JKGE CC(C)(C)OC(=O)NCCN1CCCC[C@@H](c2cccc(CO[Si](C)(C)C(C)(C)C)c2)C1 616629680 PDSSQPCXPSDBQB-HSZRJFAPSA-N 462.751 6.303 50 10 JKGE CO[C@H]1CCC[C@@H](C(CBr)(CBr)c2ccc(Br)cc2)C1 686321927 SKOPILDHWYPAPN-HIFRSBDPSA-N 469.055 5.682 50 10 JKGE Fc1ccc2nc(CCCl)n(C[C@H]3CCCN3Cc3ccccc3)c2c1Br 689740228 CLTXMWHRNGQJFS-MRXNPFEDSA-N 450.783 5.384 50 10 JKGE COc1cc([C@@H](Br)c2ncsc2Br)c(OC)cc1Br 705137060 BBYAOYKEAYTFCW-SNVBAGLBSA-N 471.996 5.170 50 10 JKGE Cl[C@@H](c1cc(Br)cc2c1OCC2)c1scc(Br)c1Br 705462675 FYORKHUULZJERC-NSHDSACASA-N 487.438 6.299 50 10 JKGE C[C@H]1CN(Cc2ccccc2)C[C@@H]1Cn1c(CCl)nc2cc(I)ccc21 708510781 WAAFETFABWNHDN-DOTOQJQBSA-N 479.793 5.148 50 10 JKGE C[C@H](COCc1ccccc1)CC(CBr)(CBr)c1ccccc1F 719444703 WQKWMHGEPLJRHC-INIZCTEOSA-N 458.209 6.096 50 10 JKGE C[C@@H](COCc1ccccc1)COc1c(Br)cc(Br)cc1CCl 719524434 RMHHGWNLWPAIPL-ZDUSSCGKSA-N 462.609 6.182 50 10 JKGE Cc1ccc(C)c(NC(=O)/C(C#N)=C\c2ccc(OCc3ccc(Br)cc3)cc2)c1 1084032923 ISBLXNHITZHKOG-STZFKDTASA-N 461.359 6.191 50 10 JKGE N#C/C(=C/c1ccc(-c2ccc(Cl)c(C(=O)O)c2)o1)C(=O)Nc1cccc(Cl)c1Cl 1084180415 WBOZHRVOZPIYTH-WQLSENKSSA-N 461.688 6.151 50 10 JKGE COc1cc(/C=C(/C#N)C(=O)Nc2ccc(Cl)c(Cl)c2)cc(Br)c1OC(C)C 1084244803 GYMNTOMYWKZXGV-MLPAPPSSSA-N 484.177 6.097 50 10 JKGE O=C(NN=C(CSc1nc2ccccc2s1)c1cccc(Br)c1)c1ccccc1O 1084284984 SJTNOARJKMZFFI-UHFFFAOYSA-N 498.427 5.691 50 10 JKGE N#C/C(=C/c1ccc(OCc2c(Cl)cccc2Cl)cc1)C(=O)Nc1cccc2ccccc12 1084453955 QHZULELTSKCRHL-HKWRFOASSA-N 473.359 7.271 50 10 JKGE COc1ccc([C@@H]2C(C#N)=C3Sc4ccccc4N3C(N)=C2C(=O)c2ccccc2)cc1OC 1088719673 TXYVAEPBKGXWKK-HSZRJFAPSA-N 467.550 5.202 50 10 JKGE CC(C)(C)Oc1ccc([C@@H]2CN(C(=O)OCc3ccccc3)C[C@@H]2CI)cc1 1614619720 AJYVVRKFLDGKSH-FPOVZHCZSA-N 493.385 5.651 50 10 JKGE O=[N+]([O-])c1c(Cl)ccc2c(SSc3nsc4c([N+](=O)[O-])c(Cl)ccc34)nsc12 1615948724 WVTSKCWVKJOOOL-UHFFFAOYSA-N 491.384 6.829 50 10 JKGE CCc1nn(-c2ccc(Br)cc2)c2c1[C@@H](c1c(Cl)cccc1Cl)C(C#N)=C(N)O2 1865685084 CZASPNONWIZWSM-QGZVFWFLSA-N 490.188 5.722 50 10 JKGE CCn1nc(-c2ccccc2)c2c1OC(N)=C(C#N)[C@H]2c1ccc(OCc2ccccc2)c(OC)c1 1865686978 GQUJMHRDIVLTJW-RUZDIDTESA-N 478.552 5.376 50 10 JKGE CCCc1nn(Cc2ccccc2)c2c1[C@H](c1cc(Br)ccc1F)C(C#N)=C(N)O2 1865701891 HJSLSJPXWKFOJM-HXUWFJFHSA-N 467.342 5.004 50 10 JKGE CC(C)Oc1ccccc1[C@H]1C(C#N)=C(N)Oc2c1c(C(F)(F)F)nn2Cc1ccccc1F 1865705504 XEZWXABPKXALCF-IBGZPJMESA-N 472.442 5.095 50 10 JKGE COc1ccc(-c2nn(Cc3cccc(F)c3)c3c2[C@H](c2cccc(F)c2)C(C#N)=C(N)O3)cc1 1865710742 GXUIXLBCXNARPG-HSZRJFAPSA-N 470.479 5.103 50 10 JKGE Cc1nc(NC(=O)/C(C#N)=C/c2ccc(Br)cc2)sc1C(=O)OCc1ccccc1 1866128887 RBVDBFRCCPQFNC-GZTJUZNOSA-N 482.359 5.117 50 10 JKGE CCCC[C@@H](NC(=O)C[C@H](c1ccc(C)cc1)C(C)C)C(=O)Nc1ccc(SC#N)cc1 1866737025 QAYFEAMCLLKXEO-BJKOFHAPSA-N 451.636 6.012 50 10 JKGE COc1ccc2c(c1)CCN(c1cc(Nc3ccc(SC#N)cc3)nc(-c3ccccc3C)n1)[C@H]2C 1868301098 KOINFDBWZCAEKQ-FQEVSTJZSA-N 493.636 6.901 50 10 JKGE N#CSc1ccc(Nc2cc(N3CC[C@H](c4ccc5c(c4)OCO5)C3)nc(-c3ccccc3)n2)cc1 1868364663 CQIRMNUPNHMSGA-NRFANRHFSA-N 493.592 6.183 50 10 JKGE CCCc1nc(Nc2ccc(SC#N)cc2)cc(N2CCC[C@H](C(=O)CCCc3ccccc3)C2)n1 1868387903 BWYGSLRQMMZHAT-QHCPKHFHSA-N 499.684 6.554 50 10 JKGE COc1cccc(-c2nc(Nc3ccc(SC#N)cc3)cc(N3C[C@@H](C)OCC3(C)C)n2)c1 1868506325 UXUKJTOETWKNSC-QGZVFWFLSA-N 461.591 5.473 50 10 JKGE N#C/C(=C(/O)[C@H]1CC(=O)N(Cc2ccccc2)C1)c1nc(-c2ccc(Br)cc2)cs1 1872746379 FHLOATRZUNODRA-UBZKEQBWSA-N 480.387 5.414 50 10 JKGE COc1cc(/C=C(\C#N)c2nc(-c3ccc4c(c3)OCCO4)cs2)cc(Br)c1O 1872791688 OVZQZSNRHOEEPO-MKMNVTDBSA-N 471.332 5.122 50 10 JKGE N#C/C(=C(/O)CCCOc1ccc(Cl)cc1Cl)c1nc(-c2ccc(F)cc2F)cs1 1872818146 OLBGBZSZAHXIMB-CYVLTUHYSA-N 467.324 7.047 50 10 JKGE CC[C@@H](Br)CN(Cc1ccccc1)Cc1sccc1I 1888198747 QQKHAQRLAOPGHJ-CQSZACIVSA-N 464.210 5.528 50 10 JKGE Clc1ccc(I)cc1CC[C@@H](Br)COCc1ccccc1 1893661607 QBDAFGDHSJKTHP-OAHLLOKOSA-N 479.583 5.858 50 10 JKGE Cl[C@H](c1coc(Br)c1)c1ccc(OCc2ccccc2)cc1Br 1899880742 BAFCXQBUSIHRJF-GOSISDBHSA-N 456.561 6.712 50 10 JKGE BrCC1(Cc2ccc(Br)cc2Br)CC2(CCCO2)C1 1912579043 PJLHBGQVERSCJV-UHFFFAOYSA-N 453.012 5.478 50 10 JKGE CC(C)[C@@H](CBr)N(Cc1ccccc1)C(=O)c1cccc(Br)c1F 1915297958 NGRITRTZGFVCOL-QGZVFWFLSA-N 457.181 5.650 50 10 JKGE COCC(C)(C)N(Cc1ccccc1)S(=O)(=O)c1cc(Cl)cc(CCl)c1Cl 1915486237 OVEDJOHBOIVHIY-UHFFFAOYSA-N 450.815 5.348 50 10 JKGE Cc1cc([C@@H](Br)c2sc(Br)c(C)c2Br)c(F)cc1F 1922887069 ZQGQHROQFHOWGJ-LLVKDONJSA-N 474.990 6.652 50 10 JKGE FC1(F)[C@H]([C@H](Br)c2sc(Br)cc2Br)C12CCC2 1922895452 VNOJSLKNYFDXMQ-VXNVDRBHSA-N 450.968 6.145 50 10 JKGE C[C@H](C1CCC1)[C@H](Br)c1c(Br)sc(Br)c1Cl 1923038713 KDEFXLAKRWPPHU-XRGYYRRGSA-N 451.449 6.799 50 10 JKGE C[C@@H](c1ccccc1)[C@H](Br)c1c(Br)sc(Br)c1Cl 1923038932 LOGLVQLGLBBBTC-XVKPBYJWSA-N 473.455 7.166 50 10 JKGE C[C@@H]1Cc2cc([C@@H](Br)c3csnc3Br)cc(Br)c2O1 1925270157 KJKOSYVJGHOFML-KSBSHMNSSA-N 468.008 5.476 50 10 JKGE Cc1cc(Br)c(F)c([C@H](Cl)c2c(Cl)sc(Br)c2Cl)c1 1925546820 CDKKKNUENSWJMJ-QMMMGPOBSA-N 467.412 7.356 50 10 JKGE Clc1sc(Br)c(Cl)c1[C@H](Br)c1coc(Br)c1 1925595100 QTMDBVAOEWORHG-ZCFIWIBFSA-N 469.807 6.657 50 10 JKGE Brc1cnsc1[C@@H](Br)c1csc2c(Br)cccc12 2028524347 KZMOZMTZHXCLKR-JTQLQIEISA-N 468.033 6.367 50 10 JKGE CCOc1ccc(Br)cc1[C@H](Br)c1cscc1OCc1ccccc1 2038686452 OSOFARXRLKDQHI-FQEVSTJZSA-N 482.237 6.973 50 10 JKGE Clc1c(Br)cccc1Oc1ccc(Br)cc1CBr 2040203271 UATOTICUSZMDLB-UHFFFAOYSA-N 455.371 6.552 50 10 JKGE Cl[C@H](c1c(Br)sc(Br)c1Br)C1C[C@H]2CCC[C@@H]2C1 2063519172 BLAXPQVKJWVJEX-AMXGMDGSSA-N 477.487 7.142 50 10 JKGE CO[C@@H]1C[C@@H]([C@H](Br)c2sc(Br)cc2Br)C12CCC2 2070182703 UMPDRRQTNVSMFA-NMLBEHRDSA-N 459.041 5.914 50 10 JKGE Cc1sc(Br)c([C@H](Br)c2ccc(Br)cc2Cl)c1C 2082886014 UHQLMYKQGGXEDE-GFCCVEGCSA-N 473.455 7.028 50 10 JKGE BrCc1cc(Br)cc(Br)c1OCCS[C@@H]1CCOC1 2092688544 DVJYABMZDGOMMK-LLVKDONJSA-N 475.040 5.007 50 10 JKGE COc1ccc(Cl)cc1[C@H](Br)c1c(Br)cccc1Br 2094089864 AUWJXMWLBBQJGG-AWEZNQCLSA-N 469.398 6.358 50 10 JKGE CC1(C)CCC(CBr)(Cc2cccc(Br)c2Br)CC1 2100846318 VSAVYHPFLBQILY-UHFFFAOYSA-N 453.056 6.736 50 10 JKGE Clc1ccc(Br)c(CC[C@@H](Br)c2ccccc2Br)c1 2113445361 VGQUCZNVQRSAOY-OAHLLOKOSA-N 467.426 6.934 50 10 JKGE Cc1ccc(Br)cc1Oc1cc(Br)cc(F)c1CBr 2114265180 ZAJJJNBKQPUEHX-UHFFFAOYSA-N 452.943 6.346 50 10 JKGE CC(C)[C@@H](Br)c1cn(-c2c(Br)cc(Cl)cc2Br)nn1 2121065131 YXEUVECANZWKQI-LLVKDONJSA-N 472.406 5.538 50 10 JKGE Clc1ccc(I)c(C[C@H]2C[C@@H](Br)CC3(CCC3)C2)c1 2127185511 GJGHTZITJZULAW-WCQYABFASA-N 453.589 6.221 50 10 JKGE CC(C)(C)OC(=O)N1CCC[C@](CI)(OC[C@@H]2C[C@H]2c2ccccc2)C1 2135987047 FQBFCYPPPVNPJK-BBTUJRGHSA-N 471.379 5.011 50 10 JKGE CC1CCC(CBr)(NC(=O)c2c(Br)cccc2Br)CC1 2150492272 YNJBHTZZVKLKOS-UHFFFAOYSA-N 468.027 5.285 50 10 JKGE CC1(C)CCC[C@](CBr)(Cc2cccc(Br)c2Br)CC1 2157075553 LOYUVAGSGCCGSN-QGZVFWFLSA-N 467.083 7.126 50 10 JKGE Cc1cc(Br)c([C@@H](Br)c2ccccc2C2CC2)cc1Br 2160379730 VQJGCKRGRUNTJS-KRWDZBQOSA-N 459.019 6.882 50 10 JKGE ClCc1ccc(Br)c(Cl)c1N1CC[C@]2(CCCN(Cc3ccccc3)C2)C1 2163317677 KIUHKTOQVQJCQA-QFIPXVFZSA-N 468.266 6.334 50 10 JKGE COc1ccc(CC[C@@H](Br)c2cccc(Br)c2)cc1Br 2169798139 AJMVDWSWUSOFAO-CQSZACIVSA-N 463.007 6.289 50 10 JKGE Cc1cc(S(=O)(=O)N(Cc2ccccc2)CC2CCCC2)cc(CBr)c1F 2179861165 CZXXRPNVPNZPBL-UHFFFAOYSA-N 454.405 5.410 50 10 JKGE FC1(F)C[C@H](n2c(CCl)nc3ccc(Br)cc32)CN(Cc2ccccc2)C1 2184260495 LVTPQARMOGALLA-INIZCTEOSA-N 454.746 5.620 50 10 JKGE Cc1cc(Br)ccc1[C@@H](Cl)c1c(C)c(Br)cc(C)c1Br 2201075800 DLVZDIPCANMMKS-MRXNPFEDSA-N 481.453 7.228 50 10 JKGE Cc1cc(Br)c([C@H](Cl)c2cc(Br)c(Cl)cc2C)cc1Cl 2202362778 DJESMBMSVAKDLB-OAHLLOKOSA-N 457.420 7.463 50 10 JKGE BrC[C@H](Cc1ccc(Br)cc1)Cc1ncsc1Br 2219011452 UCQLIERFAPVCIE-SNVBAGLBSA-N 454.025 5.464 50 10 JKGE CN(C[C@H](Br)COCc1ccccc1)c1ncc(C(F)(F)F)cc1Br 2224024408 AQXBCJSVLIMAST-AWEZNQCLSA-N 482.138 5.279 50 10 JKGE Fc1cc(Br)c(Br)cc1[C@H](Br)[C@@H]1CC[C@H]2C[C@H]1CO2 2225615325 GIGNQAKEORNZII-PJPCKVBYSA-N 456.975 5.602 50 10 JKGE Fc1cc(Br)c(Br)cc1[C@@H](Cl)Cc1ccccc1Br 2225634657 QCOVRSCPMMJFHP-ZDUSSCGKSA-N 471.389 6.636 50 10 JKGE Cc1cc([C@H](Br)c2ccc3c(c2Br)CCO3)c(Br)s1 2229733578 KHUBTKXLRZOUNK-CYBMUJFWSA-N 467.020 6.001 50 10 JKGE Fc1ccc(I)cc1[C@H](Br)Cc1cc(Cl)cc(Cl)c1 2232133111 GKSFHAKFVYRQKV-CYBMUJFWSA-N 473.938 6.416 50 10 JKGE FC1(F)CCCC[C@H]1[C@H](Br)c1c(Br)cc(Cl)c(Cl)c1Cl 2232510552 HRLXLVYAHUONHV-WKEGUHRASA-N 471.394 7.671 50 10 JKGE Cc1cc(Br)c([C@H](Br)c2c(Cl)cccc2Cl)c(C)c1Cl 2232530549 SGYYCHXGBKFXSO-AWEZNQCLSA-N 457.420 7.510 50 10 JKGE CCOc1ccc(Br)cc1[C@@H](Cl)c1ccc(C)c(I)c1 2232834180 RTBYNLZVJIPAFU-INIZCTEOSA-N 465.556 6.089 50 10 JKGE Brc1cc(C[C@H](Br)c2ccccc2Br)n(CC2CC2)n1 2233300864 CNMDQXWMSXJIMY-AWEZNQCLSA-N 463.011 5.497 50 10 JKGE Cc1c(Br)ccc([C@H](Br)[C@H]2C[C@H]3CCC[C@H](C3)C2)c1Br 2233649176 KFMZENFHPJUOAS-IPJQOSJUSA-N 465.067 7.172 50 10 JKGE Cc1cc(Br)c([C@@H](Br)[C@@H]2C[C@@H]3CCC[C@@H]3C2)c(C)c1Br 2235608274 IWBSIDNIMKRTOJ-ZBYUQBLASA-N 465.067 7.091 50 10 JKGE Cc1cc(Br)c([C@@H](Br)C[C@H]2CCCC2(F)F)c(C)c1Br 2235610394 FDVAKMBZSWLMDZ-PWSUYJOCSA-N 475.009 7.090 50 10 JKGE Brc1ccc([C@H](Br)c2ccc([C@H]3CCOC3)s2)c(Br)c1 2240430702 BASWJJIOGHRQCH-VFZGTOFNSA-N 481.047 6.261 50 10 JKGE Clc1c(Br)ccc(CBr)c1O[C@H]1CCN(Cc2ccccc2)C1 2244773238 MAQWSWLXOHVQPF-HNNXBMFYSA-N 459.609 5.651 50 10 JKGE Cc1cc(Br)c([C@@H](Br)c2c(Br)cnn2C)c(C)c1F 2264477283 XLLWHMFVFKGQOC-LLVKDONJSA-N 454.963 5.185 50 10 JKGE CN(Cc1cccc(I)c1)c1cc(Br)ccc1CCl 2265532284 HWQNXYGJPCBARZ-UHFFFAOYSA-N 450.545 5.429 50 10 JKGE COc1ccc([C@H](Cl)Cc2cccc(Br)c2)cc1I 2269542809 LFTOMSFVAKEXRF-CYBMUJFWSA-N 451.529 5.585 50 10 JKGE COc1c(Br)cc(Cl)c(C)c1[C@@H](Br)c1cc(Br)co1 2277885061 USYVXLXJNUUHTA-LBPRGKRZSA-N 473.386 6.259 50 10 JKGE O=C(N[C@H](CBr)C1CCCCC1)c1ccc(Cl)c(I)c1 2283651378 GKJQHKVBEPKQMK-CQSZACIVSA-N 470.576 5.018 50 10 JKGE CCCCOc1ccc(C=C(C#N)C(=O)Oc2ccc(C=C(C#N)C(=O)NCc3ccco3)cc2)cc1 2293198466 WBSBXHWXRHQLMQ-UHFFFAOYSA-N 495.535 5.194 50 10 JKGE Fc1cc(C[C@H](Br)c2cc(Br)c(Br)cc2F)ccc1Cl 2295289836 MKKRNWGOVSQPAG-VIFPVBQESA-N 489.379 6.822 50 10 JKGE Cc1cccn2c(=O)c(C=C(C#N)c3nc4ccccc4s3)c(Oc3ccc(C(C)(C)C)cc3)nc12 2297468575 SQSYXAUVBCMNLE-UHFFFAOYSA-N 492.604 6.767 50 10 JKGE CCOc1cc(C=C(C#N)C(=O)Nc2cc([N+](=O)[O-])ccc2F)ccc1OCc1ccccc1 2297551342 BXAPYPFJLQOEAN-UHFFFAOYSA-N 461.449 5.257 50 10 JKGE COc1ccc(C=C(C#N)C(=O)Nc2ccc(Cl)cc2[N+](=O)[O-])cc1OCc1ccccc1 2297551382 GXSQKZINPSMVKM-UHFFFAOYSA-N 463.877 5.381 50 10 JKGE O=C(N[C@@H](CCCl)COCc1ccccc1)c1c(Br)cccc1Br 2303702247 PDIQMSWXCGXZSL-AWEZNQCLSA-N 475.608 5.156 50 10 JKGE CCOc1cc(C=C(C#N)C(=O)NCc2cccs2)ccc1OCc1ccc(Cl)cc1 2313540806 VQMNTDBXVSZRLR-UHFFFAOYSA-N 452.963 5.603 50 10 JKGE N#CC(=Cc1cc(Cl)ccc1OCc1ccc(Cl)cc1)C(=O)Nc1ccc(Cl)c(Cl)c1 2313631315 NTEHFHTZXFZOAR-UHFFFAOYSA-N 492.189 7.425 50 10 JKGE CCc1ccc(N2C(=O)[C@@H](Cc3ccc(Cl)cc3)SC2=C(C#N)C(=O)NCc2ccco2)cc1 2314592760 BESSMRDNXNKGMN-HSZRJFAPSA-N 492.000 5.238 50 10 JKGE COc1ccc(C=CC(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@H]3c2c(Cl)cccc2Cl)cc1 2314634421 QWLKKGFRGKCLLX-DEOSSOPVSA-N 493.346 5.839 50 10 JKGE Fc1c(Br)cc(Cl)c([C@H](Br)C2[C@H]3COC[C@H]23)c1Br 2315451551 QPGDYKWVJVTVMI-PVJDKPRJSA-N 463.366 5.333 50 10 JKGE Fc1cccc(C[C@@H](Br)c2sc(Cl)cc2I)c1F 2316599934 YJGQCOKSUORVDI-SSDOTTSWSA-N 463.512 5.963 50 10 JKGE Cc1cc(Br)c(F)c(Br)c1[C@@H](Br)[C@H](C)C(F)(F)F 2317403343 NJJVZGWVLWPTMC-XNCJUZBTSA-N 456.897 6.294 50 10 JKGE CC(C)(C)[C@@H]1CC[C@@H]1[C@H](Br)c1c(Br)sc(Br)c1Cl 2320100608 HDPZCPPCKCZPHX-OOZYFLPDSA-N 479.503 7.435 50 10 JKGE COc1cc(OC)cc(C(=O)Oc2ccc(C=C(C#N)c3ccc(OC)c(OC)c3)cc2OC)c1 2320507037 XJBBOAOLKQYANF-UHFFFAOYSA-N 475.497 5.013 50 10 JKGE CC1=CC[C@@](CBr)(Cc2ccc(I)c(Br)c2)CC1 2325220552 AXNFOXYCUJKFKS-HNNXBMFYSA-N 484.013 6.108 50 10 JKGE COc1cccc(C=C(C#N)c2cc3c(cc2[N+](=O)[O-])OCCO3)c1OCc1ccccc1Cl 2331051395 JIAUXLLJWLWPKI-UHFFFAOYSA-N 478.888 5.671 50 10 JKGE CCCCc1ccc(-c2csc(C(C#N)=C(O)c3ccccc3C(=O)c3ccccc3)n2)cc1 2331256099 TTZBMERDLOMEKN-UHFFFAOYSA-N 464.590 7.334 50 10 JKGE CCCCc1ccc(-c2csc(C(C#N)=C(O)[C@@H]([C@@H](C)CC)N3C(=O)c4ccccc4C3=O)n2)cc1 2331256570 AQBYDDAGAZBSOR-AVRWGWEMSA-N 499.636 6.656 50 10 JKGE CC[C@H](C)[C@@H](C(O)=C(C#N)c1nc(-c2ccccc2Cl)cs1)N1C(=O)c2ccccc2C1=O 2331271560 UUFSBMOPAAIYGI-QKKBWIMNSA-N 477.973 5.967 50 10 JKGE CSCC[C@H](C(O)=C(C#N)c1nc(-c2ccc(F)c(F)c2)cs1)N1C(=O)c2ccccc2C1=O 2331352453 XPQVEASOBIGYIZ-HXUWFJFHSA-N 497.548 5.299 50 10 JKGE COc1cc(OC)cc(C(O)=C(C#N)c2nc(-c3cc(C(C)C)c(OC)cc3C)cs2)c1 2331353979 VFYOPWQWPQBQBQ-UHFFFAOYSA-N 450.560 6.218 50 10 JKGE COc1c(Cl)cc(Cl)cc1-c1csc(C(C#N)=C(O)[C@H](C)Oc2ccc(Cl)cc2)n1 2331362877 WIBVBLPAYMWLJR-NSHDSACASA-N 481.788 7.039 50 10 JKGE Cc1ccc(-c2csc(C(C#N)=C(O)CCCOc3ccc(Cl)cc3Cl)n2)cc1C 2331382874 QPLTWZNNPPESBZ-UHFFFAOYSA-N 459.398 7.386 50 10 JKGE COc1ccc(-c2csc(C(C#N)=C(O)c3ccc4nc(C)c(C)nc4c3)n2)c(OC)c1OC 2331412890 QEUQKOBGVZPDDD-UHFFFAOYSA-N 474.542 5.346 50 10 JKGE CCOc1cc(C=C(C#N)c2nc(-c3cc(C)ccc3C)cs2)ccc1OCc1ccccc1 2331445686 AJPRMOOQOSSYGX-UHFFFAOYSA-N 466.606 7.469 50 10 JKGE CC(C)(C)OC1CC([C@H](Br)c2cc(Br)ccc2OCc2ccccc2)C1 2336053618 KSRNDLONMTVJNY-IAYYMHMVSA-N 482.256 7.058 50 10 JKGE COCc1ccccc1[C@@H](Br)c1ccc(OCc2ccccc2)cc1Br 2336083879 NYLDXMTXSICFFL-JOCHJYFZSA-N 476.208 6.659 50 10 JKGE Brc1cc([C@@H](Br)c2cnsc2Br)cc2c1OCCC2 2337305514 HYNBTUVWYQZPEE-LLVKDONJSA-N 468.008 5.477 50 10 JKGE Clc1cc(I)c([C@H](Br)[C@@H]2CCC[C@@H]3CCCC[C@H]32)s1 2338776633 URKKPOAPGAZHPX-ICUOPCATSA-N 473.645 7.049 50 10 JKGE CCC[C@H](O[C@](C)(CI)CN(CC)C(=O)OC(C)(C)C)c1ccccc1 2340542819 VSGYYRLZLQNWCA-GHTZIAJQSA-N 475.411 5.995 50 10 JKGE CC1CC2(C1)CC(CBr)(Cc1cc(I)ccc1Cl)C2 2352424444 SZAJVVMURURNEU-UHFFFAOYSA-N 453.589 6.079 50 10 JKGE Cc1cc(Br)c(C)c([C@@H](Br)[C@@H]2C[C@@]2(C)C(F)(F)F)c1Br 2357916988 PCNMWLBWCRGOQK-AQUOVQTQSA-N 478.972 6.853 50 10 JKGE Fc1cc(Br)c(Br)cc1[C@@H](Br)[C@H]1[C@@H]2[C@H]1CCCC2(F)F 2358560006 DSBYHKHKSBJXNV-YRWCUGRBSA-N 476.956 6.468 50 10 JKGE COc1c(Br)cc(C)c([C@@H](Br)[C@H]2CC[C@@H]3C[C@@H]3C2)c1Br 2365235021 KMAXLZNMOGEHJZ-DEKYYXRVSA-N 467.039 6.401 50 10 JKGE COc1c(C)cc([C@H](Br)c2ccc(Cl)cc2I)cc1C 2365599396 VUGJDCCMAPKWDJ-HNNXBMFYSA-N 465.556 6.054 50 10 JKGE ClC[C@H]1CC2(CCCC2)CN1Cc1ccc(I)c(Br)c1 2377330876 SGNANHWEBQQBLB-CYBMUJFWSA-N 468.604 5.427 50 10 JKGE Fc1ccc([C@H](CBr)OCc2cc(I)ccc2Cl)cc1 2380354153 VDAAKJKAZMMMMT-HNNXBMFYSA-N 469.519 5.737 50 10 JKGE C=CCOc1c(Br)cc(/C=C(/C#N)C(=O)Nc2ccc(OC)cc2)cc1Br 6645305 DGJLUGSQXFXRIE-ZROIWOOFSA-N 492.167 5.331 50 10 JKGE COc1ccccc1Oc1nc2c(C)cccn2c(=O)c1/C=C(/C#N)c1nc2ccccc2s1 33588006 IAOYLDDCXQFFBT-VKAVYKQESA-N 466.522 5.478 50 10 JKGE N#C/C(=C/c1ccccc1C(F)(F)F)C(=O)Nc1nc2c(s1)CCN(Cc1ccccc1)C2 35084692 DQZMDEUHGYVGCF-PDGQHHTCSA-N 468.504 5.266 50 10 JKGE CCCCOc1cccc(-c2nn(-c3ccccc3)cc2/C=C(\C#N)C(=O)NCc2ccccc2)c1 35446805 JFZVFBYRBCDKKC-XIEYBQDHSA-N 476.580 5.942 50 10 JKGE N#CC1=C(N)Oc2cc(OC(=O)Cc3ccc(Cl)cc3)ccc2[C@@H]1c1cccc2ccccc12 38657953 XDIANPKMBJYEMY-MHZLTWQESA-N 466.924 5.859 50 10 JKGE Cc1ccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)COc4ccc(C(C)(C)C)cc4)ccc32)o1 38659303 VGLYRVZDQZUUED-VWLOTQADSA-N 458.514 5.088 50 10 JKGE CCc1ccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)C(c4ccccc4)c4ccccc4)ccc32)cc1 38677642 HLOIGPACWVOGGX-PMERELPUSA-N 486.571 6.205 50 10 JKGE COc1ccccc1Oc1nc2c(C)cccn2c(=O)c1/C=C(/C#N)C(=O)Nc1ccc(Cl)cc1 39858828 CCYOYZJQQZTTEO-VKAVYKQESA-N 486.915 5.003 50 10 JKGE N#C/C(=C\c1ccc(-c2ccc(Cl)cc2)o1)C(=O)Nc1ccc(C(F)(F)F)c(Cl)c1 39884862 WAGLYTCQTWEYHP-UKTHLTGXSA-N 451.231 6.818 50 10 JKGE Cc1ccc(C(=O)N/N=C2\CCCc3oc(C(=O)Oc4cc(C)ccc4C(C)C)c(C)c32)cc1 40804777 LVSQBSJCADENEQ-QUPMIFSKSA-N 458.558 6.018 50 10 JKGE Cc1cccnc1NC(=O)c1oc2c(c1C)/C(=N/NC(=O)c1cccc3ccccc13)CCC2 40813525 AAQGGBWICCVVMF-MWAVMZGNSA-N 452.514 5.167 50 10 JKGE Cc1c(C(=O)Nc2cc(Cl)cc(Cl)c2)oc2c1/C(=N/NC(=O)COc1ccccc1)CCC2 40816029 BKCUGSNWUCWIAS-TURZUDJPSA-N 486.355 5.383 50 10 JKGE O=C(CCCSc1nc2ccc([N+](=O)[O-])cc2s1)N/N=C/c1cccc(Oc2ccccc2)c1 58987328 CJBQVKZUVVVXQY-PCLIKHOPSA-N 492.582 6.019 50 10 JKGE Cn1c(SCC(=O)N/N=C/c2ccccc2OCc2ccccc2Cl)nc2ccccc21 58991727 KNBVMJOQZLPJCN-VULFUBBASA-N 464.978 5.048 50 10 JKGE COc1ccc(-c2csc(/C(C#N)=C\Nc3ccc(I)cc3)n2)cc1OC 102937668 PNHGSZABBVOPQM-KAMYIIQDSA-N 489.338 5.408 50 10 JKGE COc1c(Br)cc(Cl)cc1[C@@H](Br)c1cc(F)ccc1Br 109836121 GYJQVOXVEUYGEJ-ZDUSSCGKSA-N 487.388 6.497 50 10 JKGE COc1cccc(OC)c1[C@@H](Br)c1cc(Br)sc1Br 109869993 BJSSMEHFCMZXRN-LBPRGKRZSA-N 471.008 5.775 50 10 JKGE Cc1cc(Br)c([C@H](Br)CC[C@H]2CCCCO2)cc1Br 128760732 KLDDNMFTJYTPDJ-DGCLKSJQSA-N 455.028 6.305 50 10 JKGE Cc1cc(Br)c([C@@H](Br)c2cc3c(s2)CCSC3)cc1Br 128761428 SRMJSTARPBTMFP-OAHLLOKOSA-N 497.115 6.855 50 10 JKGE CCOc1ccc([C@H](Cl)c2cc(Br)c(Br)s2)c(Br)c1 128881672 AKRZTRDHUNGZNL-LBPRGKRZSA-N 489.454 6.763 50 10 JKGE CC1(C)[C@H]2CC[C@@]1(C)[C@H](O[C@@H](CI)c1ccccc1Br)C2 162500581 USADWOSAKFCZDB-PTOXDTDZSA-N 463.197 6.157 50 10 JKGE CCCCCCOc1ccc(/C=C(/C#N)C(=O)Nc2sc(C(=O)OCC)c(C)c2C#N)cc1OC 206261729 ITYCZYLXFVBQKA-UYRXBGFRSA-N 495.601 5.618 50 10 JKGE COc1cc(/C=C(/C#N)C(=O)NCc2ccccc2)ccc1OC(=O)/C=C/c1ccc(C(C)C)cc1 206395276 RVQJKJKZPIMYRF-DHRUXIDKSA-N 480.564 5.661 50 10 JKGE Cc1cc(Br)c([C@@H](Br)c2ccc(F)c(Cl)c2)cc1Br 212861474 DQNVBRKCBFWRBK-AWEZNQCLSA-N 471.389 6.797 50 10 JKGE CCCCCCCCOc1ccc(/C=C2\C(=O)N(C[C@H]3CCCO3)C(=O)C(C#N)=C2C)cc1OC 214330420 ONCCDLLRZAWUKL-LEYFIJQKSA-N 480.605 5.206 50 10 JKGE CCc1cccc(CC)c1N/C=C(/C#N)C(=O)N1CCN(C(c2ccccc2)c2ccccc2)CC1 216492145 PQXFKZUYBFXHPX-NFFVHWSESA-N 478.640 5.565 50 10 JKGE Cc1ccc2nc(-c3ccc(N/C=C(/C#N)C(=O)Nc4ccc(Cl)c(Cl)c4)cc3)sc2c1 217005870 IAVHLFVBWOWHLJ-SSZFMOIBSA-N 479.392 7.037 50 10 JKGE Brc1ccc([C@H](Br)c2ccc3c(c2)OCCO3)c(Br)c1 232454040 IGNOPKLNOXPMGI-OAHLLOKOSA-N 462.963 5.467 50 10 JKGE CCc1ccc(CC)c([C@@H](Cl)c2cc(I)ccc2Br)c1 234177583 JDQNVUMBYHNXPQ-QGZVFWFLSA-N 463.584 6.507 50 10 JKGE O=C(COc1cccc2ccccc12)NN=Cc1ccc(Sc2nc3ccccc3s2)o1 252640238 YRVQXRNDZVZDIO-UHFFFAOYSA-N 459.552 5.723 50 10 JKGE aggregator Cc1ccc(C)n1-c1cccc(C(=O)NN=Cc2cc(C)n(-c3cccc([N+](=O)[O-])c3)c2C)c1 254412340 SBAJLPZBVCGAEC-UHFFFAOYSA-N 455.518 5.174 50 10 JKGE Cc1nn(-c2ccccc2)c(Oc2ccc(F)cc2)c1C=NNC(=O)c1cc2c(s1)CC[C@H](C)C2 254804370 YQDAYYPMBYIPQT-KRWDZBQOSA-N 488.588 6.062 50 10 JKGE O=C(NN=Cc1c[nH]nc1-c1ccc(Cl)cc1)c1sc2cccc(Br)c2c1Cl 254819001 TXEXNUPYJCDTBW-UHFFFAOYSA-N 494.201 6.125 50 10 JKGE COc1ccccc1C(=O)NN=Cc1cccc(OC(=O)c2sc3ccccc3c2Cl)c1 254826264 HZHRPNPDROBVQG-UHFFFAOYSA-N 464.930 5.546 50 10 JKGE CC(=O)Nc1ccc(C=NNC(=O)c2ccccc2Nc2ccc(SC(F)F)cc2)cc1 254845653 XUPADBORWNZTQP-UHFFFAOYSA-N 454.502 5.467 50 10 JKGE Br[C@@H](CC[C@@H]1CCCCO1)c1cc(I)cc2c1OCC2 312260432 DUUOOMBMZTVMNG-ZFWWWQNUSA-N 451.142 5.011 50 10 JKGE Clc1cc(Br)ccc1[C@@H]1CN(Cc2ccccc2)C[C@H]1CI 382710268 GWRJPCHDYQYVCW-RHSMWYFYSA-N 490.610 5.753 50 10 JKGE Fc1cc([C@@H](Br)c2cc(Br)c(Br)s2)c(F)c(F)c1F 396025836 KRJRHRSJFCPAHR-SSDOTTSWSA-N 482.916 6.314 50 10 JKGE CC(C)(C)[Si](C)(C)OCCc1ccccc1[C@@H]1COCCCN1S(=O)(=O)c1ccccc1 616649269 SXLAFJSCGCLFJU-DEOSSOPVSA-N 475.727 5.403 50 10 JKGE CC(C)(C)[Si](C)(C)OCCc1ccccc1[C@H]1CNc2ccccc2N1Cc1ccccc1 616692795 ZZEIIGFDAGGWLE-MUUNZHRXSA-N 458.722 7.424 50 10 JKGE Clc1ccc(I)c(CNC2(CCBr)CCSCC2)c1 719707755 JATGEKNJUAEYOX-UHFFFAOYSA-N 474.633 5.085 50 10 JKGE Fc1cccc([C@@H](Cl)c2csc3c(Br)cccc23)c1I 721697642 MNTPSTBZQPUVPK-CYBMUJFWSA-N 481.555 6.736 50 10 JKGE CCOc1cc(/C=C(/C#N)C(=O)Nc2ccccc2C)cc(Cl)c1OCc1ccccc1F 725444597 RWGBAUVPKUJULG-NDENLUEZSA-N 464.924 6.311 50 10 JKGE O=C(NN=C(CSc1nc2ccccc2s1)c1ccc2ccccc2c1)c1cccc(Cl)c1 1084537576 YWORHOXJOIZUCO-UHFFFAOYSA-N 488.037 7.029 50 10 JKGE COc1ccc(NC(=O)NN=Cc2cc(Br)c(Sc3ccc(Cl)cc3)o2)cc1 1084589405 PJQZXNVHMILLAF-UHFFFAOYSA-N 480.771 6.011 50 10 JKGE CCCCCCCCOc1ccc(C=NNC(=O)COc2ccc(Cl)cc2Cl)cc1 1084626683 PFZYOXDYMGCCIK-UHFFFAOYSA-N 451.394 6.262 50 10 JKGE Cc1cc(C)cc(NC(=O)c2oc3c(c2C)C(=NNC(=O)c2ccc(Cl)c([N+](=O)[O-])c2)CCC3)c1 1772748579 RJWROUFBNFYWAZ-UHFFFAOYSA-N 494.935 5.489 50 10 JKGE COc1cc(C=NNC(=O)COc2ccccc2Cl)ccc1OCc1c(Cl)cccc1Cl 1772754569 YSEACPBDKURCKT-UHFFFAOYSA-N 493.774 5.764 50 10 JKGE COc1cc(C=NNC(=O)CSc2ccc(C)cc2)ccc1OCc1c(Cl)cccc1Cl 1772756439 YQWBNWLTTALKFL-UHFFFAOYSA-N 489.424 6.132 50 10 JKGE N#CC1=C(N)Oc2c(c(C(F)(F)F)nn2Cc2ccc(Cl)c(Cl)c2)[C@H]1c1cccc(O)c1 1865681392 MKUBVJWYRCSJDH-INIZCTEOSA-N 481.261 5.181 50 10 JKGE N#CC1=C(N)Oc2c(c(-c3ccccc3)nn2-c2cccc3ccccc23)[C@@H]1c1ccccc1F 1865683038 DQMXLIBDLJRBBX-RUZDIDTESA-N 458.496 6.050 50 10 JKGE CCCCOc1ccc([C@H]2C(C#N)=C(N)Oc3c2c(CC)nn3-c2cccc(Cl)c2)cc1OCC 1865687550 UPKWFYABYRHPBP-DEOSSOPVSA-N 493.007 5.884 50 10 JKGE C=CCOc1ccccc1[C@H]1C(C#N)=C(N)Oc2c1c(C(F)(F)F)nn2-c1cccc2ccccc12 1865691001 GYKCPLMCSCBGCE-QFIPXVFZSA-N 488.469 5.827 50 10 JKGE COc1ccc(-c2nn(CC(C)C)c3c2[C@@H](c2ccccc2OC(C)C)C(C#N)=C(N)O3)cc1 1865705025 KHBRHPLCFJSQHG-QHCPKHFHSA-N 458.562 5.220 50 10 JKGE COc1ccc(-c2nn(Cc3cc(C)ccc3C)c3c2[C@@H](c2ccc(F)cc2)C(C#N)=C(N)O3)cc1 1865708387 VTWPFHOTHLIIFC-VWLOTQADSA-N 480.543 5.581 50 10 JKGE CCc1nn(Cc2ccc(Cl)cc2)c2c1[C@H](c1cccc(OCc3ccccc3)c1)C(C#N)=C(N)O2 1865712452 YYPWCKNKZPPEKH-AREMUKBSSA-N 496.998 5.944 50 10 JKGE COc1ccc(-c2ccc(C(=O)N/N=C\c3ccc(OCc4ccccc4)c(OC)c3)c(C)n2)cc1 1865762161 QQWDRRWDXGHQPT-YKQZZPSBSA-N 481.552 5.417 50 10 JKGE COC(=O)c1c(NC(=O)/C(C#N)=C/c2ccc(OC)c(OC)c2)sc2c1CC[C@H](C(C)(C)C)C2 1866130107 AQRKFLSZAXTISM-YTBHAWNYSA-N 482.602 5.249 50 10 JKGE CCc1ccc(-c2csc(/C(C#N)=C(\O)Cc3ccc(OCc4ccccc4)cc3)n2)cc1 1872744317 MJHURZSHKQJCCQ-RFBIWTDZSA-N 452.579 6.987 50 10 JKGE Cc1ccc(C)c(-c2csc(/C(C#N)=C(\O)CCCOc3cc(C)c(Cl)c(C)c3)n2)c1 1872749915 NQVALBCICAQWSF-LNVKXUELSA-N 453.007 7.349 50 10 JKGE COc1ccc(/C=C(C(/O)=C(\C#N)c2nc(-c3ccc(OC)c(F)c3)cs2)\c2ccccc2)cc1 1872752794 SKFCZQZPCMSAOA-BJGRWJNTSA-N 484.552 7.000 50 10 JKGE COc1ccccc1OC/C(O)=C(\C#N)c1nc(-c2ccc(Oc3ccccc3)cc2)cs1 1872753700 JIHPJWPUFIOTMQ-LNVKXUELSA-N 456.523 6.483 50 10 JKGE CCOc1ccc(OCC)c(-c2csc(/C(C#N)=C(\O)CCc3nc4ccccc4[nH]c3=O)n2)c1 1872754823 KQKIRGUSVBMTQW-NKFKGCMQSA-N 488.569 5.269 50 10 JKGE CCOc1ccc(-c2csc(/C(C#N)=C(\O)c3ccc([N+](=O)[O-])c(C)c3)n2)c(OCC)c1 1872755335 IQAJDNSFKSDKOT-PYCFMQQDSA-N 451.504 5.774 50 10 JKGE CCN(Cc1ccccc1)c1ccc(/C=C(\C#N)c2nc(-c3ccc(F)cc3F)cs2)cc1 1872784695 WGJGAHABICILGD-KGENOOAVSA-N 457.549 7.179 50 10 JKGE CCOc1ccc(-c2csc(/C(C#N)=C/c3ccc(OCCCc4ccccc4)c(OC)c3)n2)cc1 1872790510 NVCRVNLMXWBEBN-XIEYBQDHSA-N 496.632 7.293 50 10 JKGE COc1cc(/C=C(\C#N)c2nc(-c3cc(C)ccc3C)cs2)ccc1OCCc1ccccc1 1872790796 FMMOTJXYQCXZNE-LFVJCYFKSA-N 466.606 7.121 50 10 JKGE CCCOc1ccc(/C=C(\C#N)c2nc(-c3cc(OC)c(Cl)cc3OC)cs2)cc1OCC 1872793640 LBOUGXMMWKRTGE-LICLKQGHSA-N 485.005 6.732 50 10 JKGE CCc1cccc(CC)c1N1C[C@@H](/C(O)=C(\C#N)c2nc(-c3ccc(F)cc3F)cs2)CC1=O 1872818157 PARBKNVLEVEJOL-MQPOEVEDSA-N 479.552 6.059 50 10 JKGE COc1ccc(C)cc1-c1csc(/C(C#N)=C(O)/C=C/c2cc(OC)c(OC)c(OC)c2)n1 1873921016 PZEYTBQURXEZPN-FSGMYKIISA-N 464.543 5.659 50 10 JKGE CC[C@H](Cl)CN(Cc1ccccc1)C(=O)c1ccc(Cl)cc1I 1901581626 DXFAJTVCPCCYIO-AWEZNQCLSA-N 462.158 5.604 50 10 JKGE Cc1c(Br)sc([C@H](Br)[C@@H]2C[C@H]2C(C)(F)F)c1Br 1906222285 DVDVPQWEVHSOAG-ATRFCDNQSA-N 452.984 6.309 50 10 JKGE CC[C@@H](Br)CN(Cc1ccccc1)C(=O)c1cc(OC)ccc1Br 1915089727 CDPYIIPNGPJICL-OAHLLOKOSA-N 455.190 5.274 50 10 JKGE O=C(c1cccc(Br)c1F)N(Cc1ccccc1)[C@@H](CBr)C1CC1 1915311087 DEQBAQYZFPGCGU-KRWDZBQOSA-N 455.165 5.404 50 10 JKGE FC1(F)[C@@H]([C@H](Br)c2sc(Br)cc2Br)C12CCC2 1922895449 VNOJSLKNYFDXMQ-APPZFPTMSA-N 450.968 6.145 50 10 JKGE Cc1c(Br)sc([C@H](Br)c2ccc3c(c2)COC3)c1Br 1922903411 XKXXAZYSHZHCOL-GFCCVEGCSA-N 467.020 6.096 50 10 JKGE Cc1c(Br)sc([C@H](Br)[C@@H]2CC[C@H]3[C@H](C2)C3(F)F)c1Br 1922929617 KQRMUXUQZDXWDT-CHIQAWFVSA-N 479.022 6.699 50 10 JKGE Brc1nscc1[C@H](Br)c1csc2c(Br)cccc12 1925248280 PCOQNJHEVOFZOB-SNVBAGLBSA-N 468.033 6.367 50 10 JKGE CCc1nc([C@@H](Br)c2sc(Cl)cc2Br)c(Br)s1 2003571974 PEAIJMPRSHOPMW-SSDOTTSWSA-N 480.472 6.430 50 10 JKGE CC(C)(C)OC(=O)NCCSSCCN[C@@H]1CN(Cc2ccccc2)C2(CCCC2)C1 2010825419 KWEUSIXKUXYGRH-NRFANRHFSA-N 465.729 5.069 50 10 JKGE C[C@@]1(CCOCc2ccccc2)CCN1c1ccc(Br)cc1CBr 2020891586 VNGRQRDFLHHIOZ-FQEVSTJZSA-N 453.218 5.920 50 10 JKGE Cc1cc2sc([C@H](Br)c3sc(Br)cc3Br)cc2s1 2038895054 LCHYGERBWQENSX-NSHDSACASA-N 487.101 7.342 50 10 JKGE Cc1ccccc1-n1c(SCC(=O)C(C#N)=C2Nc3ccccc3S2)nnc1-c1cccnc1 2040425597 ZNMMNYYTDHQIRG-UHFFFAOYSA-N 482.594 5.252 50 10 JKGE Clc1c(Br)ccc(CBr)c1N1CC2(CC(OCc3ccccc3)C2)C1 2046455240 BGDLSAZLWFLPEW-UHFFFAOYSA-N 485.647 6.183 50 10 JKGE COc1c(Br)cc(C)cc1[C@@H](Cl)c1cc(I)sn1 2083460363 SMXADJQZNPKJMU-LLVKDONJSA-N 458.546 5.155 50 10 JKGE Cc1c(Br)cccc1[C@@H](Br)c1cc(Br)c(Cl)cc1F 2097835100 PYRKAMDRWYMQCQ-CQSZACIVSA-N 471.389 6.797 50 10 JKGE C[C@@H](Cl)c1nc2cc(Br)c(Cl)cc2n1CCCN(C)Cc1ccccc1 2103811639 BCTXILVQXZGIGC-CQSZACIVSA-N 455.227 6.274 50 10 JKGE Clc1c(Br)sc(Br)c1[C@H](Cl)c1cc2ncccc2s1 2108677033 BHFWSECJGONYMI-SECBINFHSA-N 458.027 6.864 50 10 JKGE Cc1c(Br)sc([C@@H](Br)c2cc(F)c(F)cc2Cl)c1Br 2112343709 CYNIPYIERVQIGT-JTQLQIEISA-N 495.408 6.997 50 10 JKGE Fc1ccc([C@@H](CBr)Cc2cc(Br)ccc2Br)cc1 2118525744 XKRITVFLCSJGMZ-GFCCVEGCSA-N 450.971 6.072 50 10 JKGE Clc1ccc([C@H](Br)CCc2cc(Br)ccc2Br)cc1 2118533468 ZNCWCQRNRPYZCD-CQSZACIVSA-N 467.426 6.934 50 10 JKGE Cc1cc(Br)c(C)c([C@@H](Br)[C@@H]2CCC3(CC3)C2)c1Br 2136371473 OMHAKUUAACPTOH-ABAIWWIYSA-N 451.040 6.845 50 10 JKGE Cc1cc(Br)c(C)c([C@H](Br)[C@H]2CCCC[C@H]2C)c1Br 2136372381 YCUPRAVYLKDKLI-RCAYSMOQSA-N 453.056 7.091 50 10 JKGE Clc1cc(C[C@@H]2C[C@@H]3CCCC[C@H]3[C@H]2Br)ccc1I 2142951803 CLGCNUVVODKWPW-VLXAULBPSA-N 453.589 6.077 50 10 JKGE CN1C(=O)Cc2cc([C@@H](Br)c3csc(Br)c3Br)ccc21 2150341850 LWBIMZYETGDNMU-GFCCVEGCSA-N 480.019 5.276 50 10 JKGE FC(F)(F)c1cc(Cl)ccc1[C@@H](Br)c1sc(Cl)cc1Br 2154477120 DFPKDFILEVIBHH-SNVBAGLBSA-N 468.947 7.321 50 10 JKGE FC1(F)CN(Cc2ccccc2)CCCCN(c2cccc(Br)c2CCl)C1 2164876190 ACBSFXKHKPOGCN-UHFFFAOYSA-N 457.790 5.926 50 10 JKGE CC(F)(F)C1(COc2c(Br)cc(Br)cc2CBr)CCC1 2191276908 NERLQJQDVCWRLJ-UHFFFAOYSA-N 476.981 6.311 50 10 JKGE CCCNCc1cc(Br)cc(Br)c1OCC1CC(Br)C1 2196908667 ZAAYHENNECZJOC-UHFFFAOYSA-N 470.043 5.264 50 10 JKGE Cc1cc(Br)c(C)c([C@@H](Cl)c2ccc(Br)cc2F)c1Br 2201075103 BUQPLLVDJBOGSU-HNNXBMFYSA-N 485.416 7.058 50 10 JKGE Cc1cc(Br)c(C)c([C@H](Br)C[C@@H]2CCC23CCC3)c1Br 2201080568 YQEPRQRZZJHCLI-GXTWGEPZSA-N 465.067 7.235 50 10 JKGE COc1c(Cl)cc(Br)cc1[C@@H](Cl)c1cc(I)ccc1F 2203010896 YMQBOEILSVENTC-ZDUSSCGKSA-N 489.937 6.183 50 10 JKGE COc1cc(F)c(F)cc1[C@H](Br)c1cccc(C)c1I 2204493633 DSMYXVDDBYFXCS-CQSZACIVSA-N 453.064 5.371 50 10 JKGE COc1cc(F)c(F)cc1[C@@H](Br)c1ccc(F)cc1I 2204495903 MESZHYHDZNZAFV-AWEZNQCLSA-N 457.027 5.201 50 10 JKGE COc1c(C)cc(Br)cc1[C@H](Br)c1ccc(Br)cc1Cl 2206572635 XLQGQMIVEHBUHI-CQSZACIVSA-N 483.425 6.666 50 10 JKGE COc1c(C)cc(Br)cc1[C@@H](Br)c1cccc(Br)c1C 2206598685 OZAFTGMAEOSFBU-HNNXBMFYSA-N 463.007 6.321 50 10 JKGE C[C@@H]1C[C@H](Br)C[C@H](c2sc(Br)c(Br)c2Br)C1 2212200181 KCOSNPQHIHMNKK-XVMARJQXSA-N 495.900 6.703 50 10 JKGE FC1(F)CCC[C@H](c2sc(Br)c(Br)c2Br)[C@H]1Cl 2216419399 KJGOYEXGUSTSTA-SPGJFGJESA-N 473.402 6.546 50 10 JKGE ClCc1nc2cc(Br)c(Br)cc2n1C[C@@H]1CCN1Cc1ccccc1 2218648809 LNNZZSPSAIWGBA-AWEZNQCLSA-N 483.635 5.575 50 10 JKGE BrCC(CBr)(Cc1ncsc1Br)C1CCCCC1 2219010370 DGERGKBPONBMMR-UHFFFAOYSA-N 460.073 5.805 50 10 JKGE ClCc1nc2cc(Br)c(Br)cc2n1Cc1cnn(Cc2ccccc2)c1 2225702844 SDALGSOSTNEBCH-UHFFFAOYSA-N 494.618 5.593 50 10 JKGE Cc1cc(Br)c([C@@H](Br)[C@]2(C)COCCO2)c(C)c1Br 2227360713 VUFJQAYRDUVUTG-KGLIPLIRSA-N 457.000 5.070 50 10 JKGE Clc1ccc(Cl)c([C@@H](Cl)c2c(Br)cc(Cl)c(Cl)c2Cl)c1 2232512621 OBHXJGJZPPOCSK-LLVKDONJSA-N 453.805 8.044 50 10 JKGE C[C@H]1CN(Cc2ccccc2)C[C@H]1Cn1c(CCl)nc2c(F)cc(Br)cc21 2232913595 FZMCVCSMGZGZBI-HOCLYGCPSA-N 450.783 5.445 50 10 JKGE CCOCc1cc(Br)c([C@H](Br)c2cc3cscc3s2)s1 2233032038 ROHGWZWLUQSHIP-CYBMUJFWSA-N 452.258 6.808 50 10 JKGE Cl[C@H](c1ccc(Br)cc1Br)c1ccc2c(c1Br)CCO2 2238072673 ZICQSGMWELPRSQ-OAHLLOKOSA-N 481.409 6.237 50 10 JKGE O=C(c1csc(Br)c1Br)N1C[C@@H]2CCCC[C@]2(CBr)C1 2238793648 FZPMYDAEHBRMAC-XPTSAGLGSA-N 486.067 5.300 50 10 JKGE Cc1ccc([C@@H](C)[C@H](Br)c2cc(Br)c(Br)cc2F)cc1 2240814503 IRUPEPZPLSPLPB-HWPZZCPQSA-N 464.998 6.899 50 10 JKGE COc1ccc([C@H](Br)[C@@H](C)c2ccncc2Br)c(Br)c1 2240825126 JKJKPZZGJTWLGV-BJOHPYRUSA-N 463.995 5.855 50 10 JKGE CCN(C[C@@](C)(CBr)OCc1ccc(Br)cc1F)C(=O)OC(C)(C)C 2255270359 QGPFKAGKSLCIRZ-GOSISDBHSA-N 483.216 5.515 50 10 JKGE Cc1cc(Cl)c(Cl)cc1[C@@H](Br)c1ccc(Br)cc1Br 2264362717 ZEHYJFKUCBVHIV-AWEZNQCLSA-N 487.844 7.311 50 10 JKGE COc1ccc(Br)cc1[C@H](Cl)c1c(F)cccc1I 2267736002 BECBOFATKZXRJA-AWEZNQCLSA-N 455.492 5.530 50 10 JKGE COC[C@]1(C)C[C@@H]1[C@@H](Br)c1c(Br)cc(Cl)c(Cl)c1Cl 2269305515 YAFYHLKYRJDYOY-RMCLDHHASA-N 451.413 6.518 50 10 JKGE C[C@H]1OC2([C@@H](Br)c3c(F)cc(Br)c(F)c3Br)CC1C2 2272848176 SKAYTWKPQYTIGB-FZXYFAMSSA-N 460.938 5.493 50 10 JKGE CCc1cc([C@H](Cl)Cc2cc(Br)cc(Br)c2)sc1Br 2277891632 JSCJHXDZLDABSU-GFCCVEGCSA-N 487.482 7.121 50 10 JKGE COc1ccc(C(=O)N(Cc2ccccc2)[C@@H](CBr)C(C)C)c(Cl)c1OC 2283448666 IDBYZPICSPFNTF-KRWDZBQOSA-N 454.792 5.419 50 10 JKGE Clc1ccc(I)cc1O[C@@H]1C[C@@H](Br)[C@]12CCCC21CC1 2288256236 MDWQEZUSKLLBHT-IIAWOOMASA-N 467.572 5.810 50 10 JKGE CC(C)(C)C[C@H](Br)CNC(=O)Cc1cc(Br)cc(Br)c1 2295308573 YZOZEASOIIGBJY-ZDUSSCGKSA-N 470.043 5.070 50 10 JKGE CCC(CC)[C@H](Br)CNC(=O)Cc1cc(Br)cc(Br)c1 2295315356 KLTCHHLBQGCZMM-CQSZACIVSA-N 470.043 5.070 50 10 JKGE COc1cc(C)c(C=CC(C)=CC[P+](c2ccccc2)(c2ccccc2)c2ccccc2)c(C)c1C 2296564483 FBJRLPIRENQIND-UHFFFAOYSA-N 491.635 7.574 50 10 JKGE C=CCNC(=O)C(C#N)=Cc1cn(-c2ccccc2)nc1-c1ccc(OCc2ccccc2Cl)cc1 2296705947 BUXCGBZAEJZHAB-UHFFFAOYSA-N 494.982 5.981 50 10 JKGE COc1ccc(C=C(C#N)C(=O)N2N=C3C(=Cc4ccccc4)CCC[C@@H]3[C@@H]2c2ccccc2)cc1 2296793015 WBSOGOCKXCLARZ-JDXGNMNLSA-N 473.576 6.425 50 10 JKGE Cc1cc(C)cc(NC(SCc2ccc(Cl)cc2)=C(C#N)S(=O)(=O)c2ccccc2)c1 2297334868 UNMGVKLOSUDENH-UHFFFAOYSA-N 469.031 6.469 50 10 JKGE Cc1ccc([C@H](Br)c2cc(Br)ccc2OCc2ccccc2)cc1Cl 2314447880 CKALVAVYHMBSEE-NRFANRHFSA-N 480.627 7.474 50 10 JKGE CCOC(=O)c1c(NC(=O)C(C#N)=Cc2ccc(OC)c(OC(C)C)c2)sc2c1CC[C@@H](C)C2 2314571627 ITMMUEYPLNYXFW-MRXNPFEDSA-N 482.602 5.391 50 10 JKGE CCCCCN1C(=O)C(=Cc2cn(-c3ccccc3)nc2-c2cc3ccccc3o2)C(C)=C(C#N)C1=O 2314611465 USQMUXHJRVXIIP-UHFFFAOYSA-N 490.563 6.068 50 10 JKGE Clc1cc(I)c([C@H](Br)[C@]23CCCC[C@H]2CCC3)s1 2316601476 SYZYLZGNWPVTMT-HERUPUMHSA-N 459.618 6.803 50 10 JKGE C=CCn1c(SCC(=O)NN=Cc2ccc(Cl)cc2)nc2scc(-c3ccccc3)c2c1=O 2320486453 XPADYDKCJRRTLU-UHFFFAOYSA-N 495.029 5.207 50 10 JKGE COc1ccc(NC(=O)C(C#N)=CNc2ccc(-c3nc4ccc(C)cc4s3)cc2)cc1OC 2324067006 QNINMSLXRSPQHF-UHFFFAOYSA-N 470.554 5.747 50 10 JKGE COc1cc(C=C(C#N)n2cnc3ccccc32)ccc1OCc1ccc(Br)cc1 2331032830 MPOZBODAPZRZLF-UHFFFAOYSA-N 460.331 5.908 50 10 JKGE COc1cc2nc(C(C#N)=Cc3ccc(OCc4ccccc4Cl)cc3)nc(O)c2cc1OC 2331042459 BLJKXCFLEIXHIT-UHFFFAOYSA-N 473.916 5.649 50 10 JKGE COc1cc(C=C(C#N)c2ccc(C(=O)OC(C)C)o2)ccc1OCC(=O)Nc1ccc(C)cc1 2331049782 VJLDETJVDKMNMN-UHFFFAOYSA-N 474.513 5.244 50 10 JKGE C[C@H](Oc1ccc(Cl)cc1Cl)C(O)=C(C#N)c1nc(-c2ccc(F)cc2F)cs1 2331293112 SMHFQKCYPIXXRN-JTQLQIEISA-N 453.297 6.655 50 10 JKGE CCCCOc1ccc(C(O)=C(C#N)c2nc(-c3ccc(F)c(F)c3)cs2)cc1OCC 2331352342 KNTYXTMJRRYNIB-UHFFFAOYSA-N 456.514 6.616 50 10 JKGE CC(C)(C)c1ccc(C=CC(O)=C(C#N)c2nc(-c3ccc(Oc4ccccc4)cc3)cs2)cc1 2331358745 JRORHPIEYPBLNX-UHFFFAOYSA-N 478.617 8.406 50 10 JKGE CCCCCCOc1ccc(C(O)=C(C#N)c2nc(-c3ccc(OC)c4ccccc34)cs2)cc1 2331405048 IWXCGNKLJBRNAG-UHFFFAOYSA-N 484.621 7.881 50 10 JKGE Cc1cc(I)c(O[C@@H]2C[C@@H](Br)C23CCCC3)cc1Cl 2336557285 WSBJWGYUAIGLRK-ZIAGYGMSSA-N 455.561 5.728 50 10 JKGE Fc1cc(CCl)c(Oc2cc(Br)cc(I)c2)cc1Cl 2338885897 WXOQYLHVLGGYAN-UHFFFAOYSA-N 475.910 6.377 50 10 JKGE COc1c(Br)cc(C)c([C@H](Cl)c2cc(Br)cs2)c1Br 2339649100 RRCJOHJSCAEIRN-GFCCVEGCSA-N 489.454 6.681 50 10 JKGE Clc1ccc(CN2[C@H]3CCC[C@H](Br)[C@H]2CC3)c(I)c1 2341032231 JOEPYYHORYKKTE-KCQAQPDRSA-N 454.577 5.225 50 10 JKGE Clc1ccc(I)cc1CO[C@@H]1CCCCCC[C@@H]1Br 2352248862 NVEFRLROGCHDDT-DZGCQCFKSA-N 457.577 5.948 50 10 JKGE CCc1cc(Br)c(OC)c([C@@H](Cl)c2sccc2I)c1 2353034724 XOMRTWXDYOEKLF-GFCCVEGCSA-N 471.585 6.014 50 10 JKGE CC1(C)C[C@H](Br)C[C@H](NC(=O)c2ccc(Cl)cc2I)C1 2365590786 CKUJTISICPCYPI-KOLCDFICSA-N 470.576 5.017 50 10 JKGE CN(CC[C@@H](Cl)c1cccs1)C(=O)c1cc(Br)sc1Br 2365986359 SAORESGLPCMABF-SECBINFHSA-N 457.640 5.777 50 10 JKGE CC[C@H](Oc1ccccc1[C@@H](C)CC)C(=O)NNC(=O)c1ccc(NC(=O)c2cccc(C)c2)cc1 10683300 VQWLBEOLTCAQQD-CPJSRVTESA-N 487.600 5.379 50 10 JKGE O=C(N/N=C/c1ccc(N2N=C(/C=C/c3ccccc3)C[C@@H]2c2ccccc2)cc1)c1ccc(F)cc1 20616396 OCOSQSRNZUSUKT-ZUOJBNJHSA-N 488.566 6.610 50 10 JKGE N#C/C(=C/c1ccc(-c2cc(C(F)(F)F)ccc2Cl)o1)C(=O)Nc1ccccc1Cl 33284867 TYDKPXNFTPNXMD-XFXZXTDPSA-N 451.231 6.818 50 10 JKGE N#C/C(=C/c1cn(Cc2ccc(Cl)c(Cl)c2)nc1-c1ccccc1)c1nc2ccccc2[nH]1 33403653 UCHOVNUEQPGDJA-UYRXBGFRSA-N 470.363 6.846 50 10 JKGE CCOC(=O)c1c(NC(=O)/C(C#N)=C\c2cn(CCC#N)c3ccccc23)sc2c1CC[C@H](C)C2 34388667 LQBRVHKIPCXOEJ-SKQHNDAPSA-N 486.597 5.464 50 10 JKGE CCOc1ccc(-c2nn(-c3ccccc3)cc2/C=C(\C#N)c2nc(O)c3ccccc3n2)cc1F 34988459 NYZJFXQNWQEEAT-XMHGGMMESA-N 477.499 5.790 50 10 JKGE CC(C)c1ccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4cccc5ccccc45)ccc32)cc1 38649554 PNIKOJJOQYCJPC-MUUNZHRXSA-N 460.533 6.401 50 10 JKGE O=C(NNc1ncnc(Nc2ccc(Cl)c(C(F)(F)F)c2)c1[N+](=O)[O-])c1cccc(Cl)c1 40658592 KITVZLCCTKKPJD-UHFFFAOYSA-N 487.225 5.211 50 10 JKGE Cc1ccc(Oc2ncnc(NNC(=O)C(c3ccccc3)c3ccccc3)c2[N+](=O)[O-])cc1C 40659390 GDFJHKHXFJHIAR-UHFFFAOYSA-N 469.501 5.069 50 10 JKGE Cc1cccc(C(=O)N/N=C2\CCCc3oc(C(=O)Nc4nc5ccccc5s4)c(C)c32)c1 40811368 PUOIGPREFXFJAU-MTDXEUNCSA-N 458.543 5.229 50 10 JKGE COc1cc(/C=C(\C#N)c2ccc(Cl)cc2)ccc1OC(=O)COc1ccc(C(C)C)c(C)c1 40864621 XRUHYMUKJJTJRS-HYARGMPZSA-N 475.972 6.829 50 10 JKGE CCCCOc1ccc(/C=C(\C#N)C(=O)Oc2ccc(C(=O)Nc3ccc(OC)cc3)cc2)cc1 40882598 ZMAKXGWYLBFAGY-RELWKKBWSA-N 470.525 5.639 50 10 JKGE CCOc1ccc(/C=N/NC(=O)CSc2nc(-c3ccc(Cl)cc3)cs2)cc1OC 40924760 AMWDPKXEGJZJCC-FOKLQQMPSA-N 461.996 5.113 50 10 JKGE Cc1cccc(COc2c(Cl)cc(/C=N\NC(=O)CC[C@H](O)c3ccccc3)cc2Cl)c1 58889449 WWTUVAUKWWMVGR-FJLJVCJUSA-N 471.384 5.845 50 10 JKGE Cc1c(Cl)cccc1NC(=O)CCC(=O)NN=C(/C=C/c1ccccc1)/C=C/c1ccccc1 58951043 XNJRZIKVQMMOBB-YTEMWHBBSA-N 471.988 6.266 50 10 JKGE N#C/C(=C/c1cn(Cc2ccc(Cl)cc2)c2ccc(Br)cc12)C(=O)NC[C@@H]1CCCO1 59087147 PTRRGXASGLFMCO-OIOSCTRGSA-N 498.808 5.308 50 10 JKGE Cc1ccc(C(=O)N/N=C2/C(=O)N(Cc3cccc4ccccc34)c3ccccc32)cc1Cl 59157226 YZICHFCHINIHQT-XLVZBRSZSA-N 453.929 5.483 50 10 JKGE CCCN(CCC)c1ccc(/C=N/NC(=O)COc2c(C)cc(C)cc2Br)cc1 97136513 GNRAUXNPAXONBN-MFKUBSTISA-N 460.416 5.221 50 10 JKGE COc1cc([C@@H](C(=O)NC2CCC(C)CC2)N(Cc2ccco2)C(=O)CCl)ccc1OC(C)C 97914794 CPXYTCBTSUMDFA-WNEJPSKBSA-N 491.028 5.079 50 10 JKGE COc1ccc(CCN2C(=O)C(C#N)=C(C)/C(=C\c3ccc(OCc4ccccc4)cc3)C2=O)cc1 101340306 AXHYSFCNWKHRSQ-OVVQPSECSA-N 478.548 5.109 50 10 JKGE O=C(N/N=C/c1cccc(F)c1)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F 103723769 ICZRYROUSPXBCI-IMUCOVGGSA-N 484.187 5.015 50 10 JKGE COc1cccc(N/C(SCc2cccc([N+](=O)[O-])c2)=C(\C#N)C(=O)NCc2ccccc2)c1 105423121 VLFUPQWNRPHBIO-BZZOAKBMSA-N 474.542 5.000 50 10 JKGE COc1c(C)cc(Br)c(C)c1[C@H](Cl)c1ccccc1I 125575267 JDGDQAWEZSLSLX-OAHLLOKOSA-N 465.556 6.007 50 10 JKGE COc1c(C)cc(Br)c(C)c1[C@H](Br)c1ccc(Br)cc1 125704233 QVDVWQMDVPSOEL-OAHLLOKOSA-N 463.007 6.321 50 10 JKGE COc1ccc(CC[C@@H](Br)c2cc(Br)c(Br)s2)cc1 128209982 PGWVANVVASLQHI-LLVKDONJSA-N 469.036 6.351 50 10 JKGE COc1cc(Br)ccc1[C@@H](Br)c1cc(Br)sc1C 135308972 FJTRYOCUCWYVRQ-CYBMUJFWSA-N 455.009 6.074 50 10 JKGE Fc1cccc(CC(CBr)(CBr)c2cccc(Cl)c2)c1Br 157925292 JEKCFYJUTRXYSE-UHFFFAOYSA-N 499.443 6.512 50 10 JKGE Cc1cc(F)c([C@H](Br)c2cc(Br)ccc2Br)cc1F 161113748 YHEZDNFPPNIVJQ-CQSZACIVSA-N 454.934 6.283 50 10 JKGE CCOc1cc(/C=N\NC(=O)Cc2ccc(Cl)cc2)ccc1OCc1cc(C)ccc1C 169901860 FIZIQUYCWFPBFY-NTFVMDSBSA-N 450.966 5.627 50 10 JKGE COc1cc(/C=C(/C#N)C(=O)Nc2cccc3ccccc23)ccc1OCc1ccccc1F 207153109 QFTVWEBRAIYSNR-JCMHNJIXSA-N 452.485 6.112 50 10 JKGE Cc1cc(Br)c([C@H](Br)c2cc(Cl)ccc2C)cc1Br 213887694 OHSFDJKNVWKHJK-OAHLLOKOSA-N 467.426 6.966 50 10 JKGE CCCOc1ccc(-c2nn(-c3ccccc3)cc2/C=C2\C(=O)N(CCC)C(=O)C(C#N)=C2C)cc1F 214217494 FCJQIHGACVLBSV-HAHDFKILSA-N 498.558 5.469 50 10 JKGE CCCCCCCCOc1ccc(/C=C2\C(=O)N(CC(C)C)C(=O)C(C#N)=C2C)cc1OC 214275398 DNRZTUZQCFQXFY-JCMHNJIXSA-N 452.595 5.683 50 10 JKGE Fc1cccc(F)c1C[C@@H](Br)c1ccc(I)c(Cl)c1 232386412 MKDYVRBLNHUWON-SNVBAGLBSA-N 457.483 5.902 50 10 JKGE COc1cc(C)c(Br)cc1[C@H](Cl)c1cc(Br)cc(Br)c1 234806877 NEKSIPHTSUCOIX-OAHLLOKOSA-N 483.425 6.619 50 10 JKGE COc1cc(F)c(Br)cc1[C@H](Br)c1cccc(Br)c1Cl 234915568 ZZDUUIYDBGKYIL-CYBMUJFWSA-N 487.388 6.497 50 10 JKGE Cc1ccc(C[C@@H](Br)c2cc(I)ccc2Br)nc1 235864357 ILGOCIUCLBENHO-CQSZACIVSA-N 480.969 5.436 50 10 JKGE Clc1ccc(C[C@@H](Cl)c2cc(Br)ccc2I)cc1 236028724 VHLYQVYXYWIBBY-CYBMUJFWSA-N 455.948 6.230 50 10 JKGE O=C(NCC1(CBr)CCCCC1)c1cc(Cl)ccc1I 236065497 VYNQOTVIKOCGEC-UHFFFAOYSA-N 470.576 5.020 50 10 JKGE Fc1ccc([C@H](Br)c2cc(Cl)cc3c2OCC3)c(I)c1 236221521 BWNASGBZJXKQBI-AWEZNQCLSA-N 467.503 5.503 50 10 JKGE CC(C)CCC[C@@H](C)[C@@H]1CC[C@@H]2[C@H]3CC=C4C[C@@H](OC(=O)CCCl)CC[C@]4(C)[C@@H]3CC[C@@]12C 253534601 NZCIAHIYIOJGGF-XXJXAVLGSA-N 477.173 8.569 50 10 JKGE CCCCCCCCCCCCCC(=O)NCC(=O)NN=Cc1ccc(OCCCC)cc1 254383884 GQBJMQCGJFIJNN-UHFFFAOYSA-N 459.675 6.133 50 10 JKGE CCOc1ccc(-c2cc(C(=O)NN=C[C@H](C)c3ccc(OCC(C)C)cc3)c3ccccc3n2)cc1 254820698 XRCSMEZIVCGOSF-QFIPXVFZSA-N 495.623 6.855 50 10 JKGE C=C(C)c1cccc(C(C)(C)NC(=O)NN=Cc2cn(Cc3ccccc3)c3ccccc23)c1 256017148 LNNPRBWKBCUUPF-UHFFFAOYSA-N 450.586 6.291 50 10 JKGE Fc1c(Br)cccc1[C@H]1CN(Cc2ccccc2)C[C@H]1CI 382684347 GPYYGMJIBGNUGV-ZBFHGGJFSA-N 474.155 5.239 50 10 JKGE CC(=O)O[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)C1=O 498049383 RCRNHNQUADUPMA-YTJVKXHHSA-N 460.731 6.450 50 10 JKGE CC(C)(C)[Si](C)(C)OCCc1ccc([C@@H]2CN(S(=O)(=O)c3ccccc3)CCCO2)cc1 616598701 PRUNXAWRJDYAME-DEOSSOPVSA-N 475.727 5.403 50 10 JKGE C[C@H](Cl)c1nc2ccc(F)c(Br)c2n1CC[C@H](C)N(C)Cc1ccccc1 689774449 MFCMWHABXNXZAM-GJZGRUSLSA-N 452.799 6.148 50 10 JKGE Fc1ccc([C@H](Cl)c2cc(Br)c(Br)s2)c(F)c1Br 701052281 RVAURYRLFKXVQQ-VIFPVBQESA-N 481.381 6.642 50 10 JKGE Fc1cc(Br)c(Cl)cc1[C@@H](Cl)c1scc(Br)c1Br 705438228 KMIPYEXPOIFPDM-SNVBAGLBSA-N 497.836 7.156 50 10 JKGE Cc1cc(Br)cc(CBr)c1OCc1cccc(Cl)c1Br 719384482 PAHBBEYOGFXOAA-UHFFFAOYSA-N 483.425 6.647 50 10 JKGE C=CCc1cc(C=NNC(=O)c2cc3ccccc3o2)cc(OCC)c1OCc1cccc(F)c1 1083902018 MOHCMOGRWKEYPO-UHFFFAOYSA-N 472.516 6.042 50 10 JKGE Cc1ccc(COc2c(Cl)cc(/C=C(\C#N)C(=O)Nc3ccc(C)cc3)cc2Br)cc1 1083914457 CUMHVILDPWPLBI-RGVLZGJSSA-N 495.804 6.844 50 10 JKGE CC[C@@H](Oc1ccc2ccccc2c1Br)C(=O)NN=Cc1ccccc1C(F)(F)F 1084150506 HPZRYUAAKKCGGG-GOSISDBHSA-N 479.296 5.929 50 10 JKGE Cc1nn(-c2ccccc2)c(Cl)c1C=NNC(=O)CCCSc1nc2ccccc2s1 1084176587 AAWNERVRCLLOJE-UHFFFAOYSA-N 470.023 5.466 50 10 JKGE COc1cc(C=NNC(=O)CSc2cccc3ccccc23)ccc1OCc1ccccc1Cl 1565518949 SZXRGIMRJINXQK-UHFFFAOYSA-N 491.012 6.323 50 10 JKGE Cc1c(C(=O)Nc2cccc(C(F)(F)F)c2)oc2c1C(=NNC(=O)c1ccc(Cl)cc1)CCC2 1772744048 QUZQRLJKFRPMDZ-UHFFFAOYSA-N 489.881 5.983 50 10 JKGE O=C(Cl)c1c(F)c(F)c(-c2c(Cl)c(Cl)c(Cl)c(Cl)c2Cl)c(F)c1F 1848370047 JEGHOEJVHGKONG-UHFFFAOYSA-N 460.852 7.556 50 10 JKGE CCc1nn(-c2ccccc2Cl)c2c1[C@@H](c1cccc(Br)c1)C(C#N)=C(N)O2 1865683233 AZXMTURTJOXWOB-SFHVURJKSA-N 455.743 5.069 50 10 JKGE CCc1nn(-c2ccc(Cl)cc2)c2c1[C@@H](c1cccc(Br)c1)C(C#N)=C(N)O2 1865684549 RUZHRFASCDDGIR-SFHVURJKSA-N 455.743 5.069 50 10 JKGE N#CC1=C(N)Oc2c(c(-c3ccccc3)nn2Cc2ccccc2F)[C@@H]1c1ccc(Cl)cc1Cl 1865686122 QWJTXHVOGJPHBI-JOCHJYFZSA-N 491.353 6.262 50 10 JKGE CCCCOc1ccc([C@@H]2C(C#N)=C(N)Oc3c2c(CC)nn3Cc2ccc(F)cc2)cc1OCC 1865687578 VFMSNDWEOGJVBT-RUZDIDTESA-N 490.579 5.429 50 10 JKGE CCCc1nn(Cc2ccccc2F)c2c1[C@H](c1ccc(OCC)c(OCC)c1)C(C#N)=C(N)O2 1865689065 JEWRLDSGSWAERL-XMMPIXPASA-N 476.552 5.039 50 10 JKGE Cc1nn(-c2ccc(Cl)c(Cl)c2)c2c1[C@H](c1cc(Br)ccc1O)C(C#N)=C(N)O2 1865696488 NWEWCJSPWKBLGI-GOSISDBHSA-N 492.160 5.174 50 10 JKGE CCCc1nn(Cc2c(F)cccc2Cl)c2c1[C@@H](c1ccc(N(CC)CC)cc1)C(C#N)=C(N)O2 1865701630 AATMHKDEIYIMIQ-DEOSSOPVSA-N 494.014 5.741 50 10 JKGE CCc1nn(Cc2cc(C)ccc2C)c2c1[C@H](c1ccc(N(CC)CC)cc1)C(C#N)=C(N)O2 1865701702 CEQQEPRNALUEPD-RUZDIDTESA-N 455.606 5.175 50 10 JKGE N#CC1=C(N)Oc2c(c(C(F)(F)F)nn2Cc2cccc(Cl)c2)[C@@H]1c1ccc(C(F)(F)F)cc1 1865711305 VISPHIJGEWULNB-MRXNPFEDSA-N 498.814 5.841 50 10 JKGE CCCc1nn(-c2ccc(Cl)cc2)c2c1[C@@H](c1ccc(Br)cc1)C(C#N)=C(N)O2 1865714738 PBDGLSUUBOPIIX-IBGZPJMESA-N 469.770 5.459 50 10 JKGE CC[C@@](C)(NC(=O)c1cc(C2CC2)n2nc(C(C)(C)C)cc2n1)C(=O)Nc1ccc(SC#N)cc1 1867189262 LMXXYALRXWCBEM-AREMUKBSSA-N 490.633 5.015 50 10 JKGE CC(C)c1nc(Nc2ccc(SC#N)cc2)cc(N2CC(=O)N3CCc4c(F)cccc4[C@H]3C2)n1 1868231575 LCGVXLHHYNCSDA-JOCHJYFZSA-N 488.592 5.002 50 10 JKGE C=CCOc1ccccc1OC/C(O)=C(\C#N)c1nc(-c2ccc(Br)cc2)cs1 1872746703 ULNJMDYUPNLXTH-ZPHPHTNESA-N 469.360 6.009 50 10 JKGE CCOc1cc(/C(O)=C(\C#N)c2nc(-c3ccccc3OC)cs2)cc(OCC)c1OCC 1872747138 PEVVYWBAJVCUBH-NKFKGCMQSA-N 466.559 5.965 50 10 JKGE CCCOc1ccc(-c2csc(/C(C#N)=C(\O)c3cc(OC)c(OC)cc3[N+](=O)[O-])n2)cc1 1872750118 XJHLOQVEWPLPCQ-XLNRJJMWSA-N 467.503 5.474 50 10 JKGE COc1c(Cl)cc(-c2csc(/C(C#N)=C(\O)c3c(F)cccc3Cl)n2)cc1Cl 1872755904 LKVKYJWAVVYFSU-YVLHZVERSA-N 455.725 6.868 50 10 JKGE CCCOc1ccc(-c2csc(/C(C#N)=C(\O)c3ccc(OCC(C)C)cc3)n2)cc1OCCC 1872817905 COBWHVQXNSLVLQ-VYIQYICTSA-N 492.641 7.372 50 10 JKGE COC(=O)c1c(NC(=O)CCCOc2ccc(Cl)cc2Cl)sc(/C(C)=C/C#N)c1C 1873428968 YWBHSWCGMCVYMK-XYOKQWHBSA-N 467.374 5.875 50 10 JKGE N#C/C(=C(/O)c1ccc(N2CCCC2)c([N+](=O)[O-])c1)c1nc(-c2cccc([N+](=O)[O-])c2)cs1 1873940659 BQUDOGHOMIQKBX-FXBPSFAMSA-N 463.475 5.177 50 10 JKGE Cc1cc(OCCC/C(O)=C(\C#N)c2nc(-c3ccc4ccccc4c3)cs2)cc(C)c1Cl 1873941172 ZMWPZOBOFZOSBT-BZZOAKBMSA-N 475.013 7.885 50 10 JKGE Clc1ccc(CN(CCBr)Cc2ccccc2)cc1I 1887438235 IWJRWBQIFYQCCO-UHFFFAOYSA-N 464.572 5.342 50 10 JKGE Cl[C@H](c1cc(Br)ccc1OCc1ccccc1)c1sncc1Br 1899865791 UYOSJKDHQWKWBG-MRXNPFEDSA-N 473.617 6.575 50 10 JKGE C[C@H](Cl)c1nc2c(Br)cc(F)cc2n1[C@@H]1CN(Cc2ccccc2)C[C@H]1C 1912671446 ZYDZABPZCNAYPX-BIENJYKASA-N 450.783 5.931 50 10 JKGE COc1ccc([C@H](Br)c2sc(Br)cc2Br)cc1C 1922895059 QUUXAXIPWYLHIT-LBPRGKRZSA-N 455.009 6.074 50 10 JKGE Cc1c(Br)sc([C@H](Br)[C@H]2CC[C@H]3C[C@H]2CO3)c1Br 1922928682 BOEVEFBIICGQMD-FTYOSLGDSA-N 459.041 5.833 50 10 JKGE Cc1cccc([C@@H](Cl)c2sc(Br)cc2Br)c1Br 1922942141 QJEIQPKEZDDISS-LLVKDONJSA-N 459.428 6.672 50 10 JKGE C[C@@H](C[C@@H](Br)c1c(Br)sc(Br)c1Cl)C(C)(C)C 1923050039 PLIYVDBTUMWRFJ-NKWVEPMBSA-N 467.492 7.435 50 10 JKGE Clc1sc(Br)c(Cl)c1[C@H](Cl)c1csc(I)c1 1925573386 NAAKCLDKHBIZSL-ZCFIWIBFSA-N 488.424 6.812 50 10 JKGE O=S1(=O)CCCC[C@@H]1[C@@H](Br)c1c(Cl)sc(Br)c1Cl 1925589455 UBFAAEKWSUBJIY-IYSWYEEDSA-N 457.036 5.221 50 10 JKGE CN(CCN(CCOCCc1nc(CCl)cs1)Cc1ccccc1)Cc1ccccc1 1946824994 WUKNDMQPCYQSDQ-UHFFFAOYSA-N 458.071 5.075 50 10 JKGE CN(CCN(Cc1ccccc1)S(=O)(=O)c1ccc(Cl)c(CCl)c1)Cc1ccccc1 1946828434 XEISDQBVNNJMBG-UHFFFAOYSA-N 477.457 5.402 50 10 JKGE Cc1cccc([C@H](Br)c2sc(Cl)cc2Br)c1Br 1948827815 DPTVZWWZLGZNHR-NSHDSACASA-N 459.428 6.719 50 10 JKGE Brc1cccc(C[C@@H](Br)c2cc(I)sn2)c1 1983286551 RARSUKVOBNYPCN-SECBINFHSA-N 472.971 5.189 50 10 JKGE F[C@@H]([C@H](Br)c1c(Br)sc(Br)c1Cl)C(F)(F)F 1984583731 GLLXLCKIDKDSJE-FONMRSAGSA-N 469.317 6.263 50 10 JKGE C[C@@H]1OCC[C@@H]1C[C@H](Cl)c1c(Br)sc(Br)c1Br 2019621589 CQQXGQYHSRBQOB-XVMARJQXSA-N 467.448 6.131 50 10 JKGE Cc1cc(Br)c([C@H](Br)c2scc(Cl)c2Cl)cc1Br 2035094350 UULFUKUTOXGDEX-JTQLQIEISA-N 493.873 7.373 50 10 JKGE CC(C)=CCCC(C)=CC=NNC(=O)c1ccc(CN2C(=O)c3cccc4cccc2c34)cc1 2040452297 RZPXNBAACKKRGM-UHFFFAOYSA-N 451.570 6.409 50 10 JKGE COc1cc(Cl)c([C@H](Br)c2coc(Br)c2)cc1Br 2082379500 KSDJXZSBMQSXQK-GFCCVEGCSA-N 459.359 5.951 50 10 JKGE CCC12COC([C@H](Br)c3c(Br)sc(Br)c3Cl)(C1)C2 2084484708 VFNOKOHXILBHDC-HUUUCTMMSA-N 479.459 6.322 50 10 JKGE Clc1cnccc1C[C@H](Cl)c1ccc(Br)cc1I 2086149499 ONXHHCRSOLULON-NSHDSACASA-N 456.936 5.625 50 10 JKGE CC1CCC(CBr)(NC(=O)c2csc(Br)c2Br)CC1 2093945420 YXZFWZMQBFHENY-UHFFFAOYSA-N 474.056 5.347 50 10 JKGE Cc1cc([C@H](Br)c2cc(C3CC3)c(Br)s2)ccc1Br 2094673764 OJPWEVBDYLGBNP-AWEZNQCLSA-N 465.048 6.943 50 10 JKGE Cn1cnc2sc([C@@H](Br)c3c(Cl)sc(Br)c3Cl)cc21 2118609024 LQJPXOYCKARIOW-SSDOTTSWSA-N 461.031 6.250 50 10 JKGE Clc1cc(Br)cnc1C[C@H](CBr)c1ccc(Br)cc1 2127194678 GVZUOWDIWJDGAW-SNVBAGLBSA-N 468.414 5.981 50 10 JKGE CC(C)(C)OC(=O)N1CCC[C@](CI)(OC[C@H]2C[C@@H]2c2ccccc2)C1 2135979015 FQBFCYPPPVNPJK-DBXWQHBBSA-N 471.379 5.011 50 10 JKGE CCN(C[C@@](C)(CI)OC[C@H]1C[C@@H]1c1ccccc1)C(=O)OC(C)(C)C 2135987398 GQPMORXWWIWVJX-DBXWQHBBSA-N 473.395 5.257 50 10 JKGE COc1c(Cl)cc(Br)cc1[C@H](Br)c1ccccc1OCc1ccccc1 2138248562 NLCBBQBSULRYMJ-HXUWFJFHSA-N 496.626 7.174 50 10 JKGE Cc1c(Br)ccc([C@@H](Br)[C@H]2COCCC2(F)F)c1Br 2138872084 QKOHOQQVRDQAKX-BXKDBHETSA-N 462.954 5.628 50 10 JKGE CCC[C@H]1CN(C(=O)c2scc(Br)c2Br)C[C@H]1CBr 2140768349 SRINHMGIMWNIHA-DTWKUNHWSA-N 474.056 5.156 50 10 JKGE CN(C)c1ncc(COc2c(Br)cc(Br)cc2CBr)s1 2149534051 NUOKFGUBRPPFGG-UHFFFAOYSA-N 485.039 5.208 50 10 JKGE C[C@H](Cl)c1nc2cc(Cl)c(Br)cc2n1[C@H]1CN(Cc2ccccc2)C[C@@H]1C 2169012319 VCZQNUKPUXDARP-YRVVQQKDSA-N 467.238 6.445 50 10 JKGE CC(C)C(CCO[C@H](CI)c1ccccc1Br)C(C)C 2189251715 JVDHCEMCUJTYOZ-QGZVFWFLSA-N 453.202 6.260 50 10 JKGE CN(c1cc(CBr)sc1[N+](=O)[O-])[C@@H]1C[C@@H]2C[C@H](OCc3ccccc3)C[C@H]21 2190557181 UMJUVSRYAITQOC-CWLKWCNXSA-N 451.386 5.371 50 10 JKGE Cc1c(Br)ccc([C@H](Br)C2C3(CCC3)C23CCC3)c1Br 2203990878 MJYTWXLODJVAPW-AWEZNQCLSA-N 463.051 6.926 50 10 JKGE C[C@@H](CCBr)N(Cc1ccccc1)S(=O)(=O)Cc1ccsc1Br 2210632921 MOWAZWCFVQJKLB-ZDUSSCGKSA-N 481.275 5.016 50 10 JKGE Cc1cc(Br)sc1[C@@H](Br)c1sc(C)c(Br)c1C 2213743976 HPFLRCMSJISSKM-SNVBAGLBSA-N 459.066 6.744 50 10 JKGE Fc1cc(F)c([C@@H](Br)c2cc(Br)cs2)c(F)c1Br 2220500205 SLDWTMXVSAMYEZ-JTQLQIEISA-N 464.926 6.175 50 10 JKGE Fc1cc(F)c([C@H](Br)c2csc(Br)c2)c(F)c1Br 2220501988 YIHBKMGHDBTTPC-SECBINFHSA-N 464.926 6.175 50 10 JKGE Fc1cc(Br)c(Br)cc1[C@H](Br)C1(F)CC2(CCC2)C1 2225618471 XQUBKYKGGGEBEC-LBPRGKRZSA-N 458.966 6.459 50 10 JKGE CCc1ccc([C@@H](Br)c2c(Br)cc(Cl)c(Cl)c2Cl)cc1 2232510771 IJFRDWMNWAGEPT-CYBMUJFWSA-N 457.420 7.456 50 10 JKGE COc1ccc([C@H](Br)c2sc(C)cc2Br)c(OC)c1Br 2237634120 UIHMYRMIHXZXIJ-NSHDSACASA-N 485.035 6.083 50 10 JKGE Fc1cc(C[C@@H](Br)c2cc(Br)c(Br)s2)ccc1Cl 2263472101 WDYXUMLWZCGDBH-SSDOTTSWSA-N 477.418 6.744 50 10 JKGE Fc1cc(F)c([C@@H](Br)c2ccc(Cl)c(I)c2)c(F)c1 2268276959 KBAORXQTAVNGTI-ZDUSSCGKSA-N 461.446 5.846 50 10 JKGE Cc1cc(F)c(Br)cc1[C@H](Br)Cc1ccc(Br)cc1 2270349239 FSLPSVQMNPWNPT-CYBMUJFWSA-N 450.971 6.338 50 10 JKGE C=CC[C@]1(CBr)CCN(Cc2ccc(Br)cc2Br)C1 2272124041 VOHRRSNFLCXNEJ-OAHLLOKOSA-N 452.028 5.375 50 10 JKGE Cn1cc([C@H](Cl)c2c(F)cc(Br)c(F)c2Br)nc1Br 2272856280 UZTCUPJXGVPMBY-VIFPVBQESA-N 479.344 5.314 50 10 JKGE C[C@H]1Cc2cc(Br)cc([C@H](Cl)c3scc(Br)c3Cl)c2O1 2279291858 IGZASUUHTNGLKR-KGFZYKRKSA-N 457.014 6.578 50 10 JKGE COc1ccc(C(=O)N(Cc2ccccc2)C2(CBr)CCC2)c(Cl)c1OC 2283449334 QLYIDXZAOMYKAS-UHFFFAOYSA-N 452.776 5.317 50 10 JKGE Cc1cc(C)c([C@@H](Cl)c2ccc(Cl)c(I)c2)c(C)c1Br 2283585556 CYYLCVWVLGBTGA-INIZCTEOSA-N 484.002 6.961 50 10 JKGE COc1ccc([C@@H](Br)c2cc(Cl)ccc2I)c(C)c1C 2284532920 DMLVDQUVBAJWSM-MRXNPFEDSA-N 465.556 6.054 50 10 JKGE COc1c([C@@H](Br)c2cc(C)c(Br)o2)cc(Br)c(C)c1C 2284597261 WSWCWZMGHAFYNI-CYBMUJFWSA-N 466.995 6.223 50 10 JKGE C[C@H](Br)CN(CCC(C)(C)C)Cc1cc(Cl)ccc1I 2288147018 WFHNXBDYEIIGTI-LBPRGKRZSA-N 472.636 5.966 50 10 JKGE COc1cccc(OCCOc2c(Cl)cc(Cl)cc2C=C(C#N)C(=O)Nc2ccc(C)cc2)c1 2293689681 JZPXVAQNPHMMAT-UHFFFAOYSA-N 497.378 6.314 50 10 JKGE CCOc1cc(C=C(C#N)c2ccc(F)cc2)cc(Cl)c1OCc1ccc(C(=O)O)cc1 2294277033 GZDJJFKCOQBFLH-UHFFFAOYSA-N 451.881 6.219 50 10 JKGE N#CC(=CNc1ccc(I)cc1)c1nc(-c2ccc(Cl)c(Cl)c2)cs1 2295902676 LUGDOSBHHRVCLS-UHFFFAOYSA-N 498.176 6.698 50 10 JKGE CC(C)Oc1ccc(-c2nn(-c3ccccc3)cc2C=C(C#N)S(=O)(=O)c2ccccc2)cc1 2296720379 ZOMYSTQQDPQXQY-UHFFFAOYSA-N 469.566 5.665 50 10 JKGE CC(=NNC(=O)C(=Cc1ccc(N(C)C)cc1)NC(=O)c1ccccc1)c1ccc2ccccc2c1 2297291863 GZMRGFXQJOCAMO-UHFFFAOYSA-N 476.580 5.217 50 10 JKGE COC(=O)c1ccc(COc2ccccc2C=C(C#N)C(=O)Nc2ccc(SC(F)F)cc2)cc1 2297488348 GYYBPDUQLCDYOU-UHFFFAOYSA-N 494.519 5.913 50 10 JKGE CCOC(=O)NN=C1C=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 2297504847 ZGBFIPQSPKDRKC-AGXGWCAZSA-N 454.655 6.427 50 10 JKGE Cc1cc(C)c([C@H](Br)c2cc(Br)ccc2OCc2ccccc2)s1 2299491587 FYHZXIKNOIRICN-LJQANCHMSA-N 466.238 7.191 50 10 JKGE N#CC(=Cc1cc(-c2ccccc2)n(-c2ccc(Cl)cc2)c1-c1ccccc1)c1ccccc1 2313510305 NFSUJIGBAZGBIH-UHFFFAOYSA-N 456.976 8.529 50 10 JKGE Cc1ccc(-c2ccc(C=C(C#N)C(=O)Nc3cccc(Cl)c3Cl)o2)c(Br)c1 2313570748 FKIAFADDFSTTAG-UHFFFAOYSA-N 476.157 6.870 50 10 JKGE C[C@]1([C@@H](Br)c2ccc(OCc3ccccc3)cc2Br)C[C@@H]1C(F)(F)F 2314461322 QFUYOYLVEWJHAJ-BZSNNMDCSA-N 478.146 7.053 50 10 JKGE CCOC(=O)c1c(NC(=O)C(C#N)=Cc2ccc(-c3ccccc3F)o2)sc2c1CCCC2 2314572393 ZYTCZTUDIUGGDX-UHFFFAOYSA-N 464.518 5.748 50 10 JKGE Cc1c([C@@H](Br)c2sc(Br)cc2Br)ccc(Cl)c1Cl 2316976387 RQGSJDSHXNQVCW-SNVBAGLBSA-N 493.873 7.373 50 10 JKGE Cc1cc(Br)c(F)c(Br)c1[C@H](Br)c1ccsc1C 2317422471 JHQCSFGEUBTSQU-LLVKDONJSA-N 457.000 6.513 50 10 JKGE Clc1cccc(C[C@H](Br)c2ccc(Cl)cc2I)c1 2317768522 KFWZUXABRNWTQE-ZDUSSCGKSA-N 455.948 6.277 50 10 JKGE N#CC(=Cc1cccc(OC(=O)CCCOc2ccc(Cl)cc2Cl)c1)c1cccc(Cl)c1 2318356241 DDIRDEPZXYASIA-UHFFFAOYSA-N 486.782 7.476 50 10 JKGE CC1(C)CCC[C@@H](Cc2ccc(I)c(Br)c2)[C@H]1Br 2325225605 HDHBVMMSXLKLNO-SMDDNHRTSA-N 486.029 6.186 50 10 JKGE CCn1cc(C=C2Oc3c(ccc(OCc4ccc(CCl)cc4)c3C)C2=O)c2cc(OC)ccc21 2325339637 WGMVESKWOXMTAY-UHFFFAOYSA-N 487.983 6.912 50 10 JKGE CC(C)(C)OC(=O)N1CCC[C@H]1C(=O)NN=Cc1cccc(OCc2ccc(Cl)cc2Cl)c1 2328799146 GVNXAWIKTWEVKD-NRFANRHFSA-N 492.403 5.422 50 10 JKGE CC[C@@H](C)[C@H](C(O)=C(C#N)c1nc(-c2ccc3c(c2)CCCC3)cs1)N1C(=O)c2ccccc2C1=O 2331240216 JOHJLASJSPPJNH-CRICUBBOSA-N 497.620 6.192 50 10 JKGE C[C@H](Oc1ccc(Cl)cc1Cl)C(O)=C(C#N)c1nc(-c2ccc(Br)cc2)cs1 2331259992 CGDXZWDMPDKPEA-NSHDSACASA-N 496.213 7.140 50 10 JKGE N#CC(=C(O)CNC(=O)c1ccc(Cl)cc1Cl)c1nc(-c2ccc([N+](=O)[O-])cc2)cs1 2331279593 SLBKEQSPORADIC-UHFFFAOYSA-N 475.313 5.248 50 10 JKGE CSCC[C@H](C(O)=C(C#N)c1nc(-c2cccc(Cl)c2)cs1)N1C(=O)c2ccccc2C1=O 2331294475 VVHFUEHZNGTWOI-HXUWFJFHSA-N 496.013 5.674 50 10 JKGE COc1cc(C)c(-c2csc(C(C#N)=C(O)c3cc([N+](=O)[O-])cc([N+](=O)[O-])c3C)n2)cc1C(C)C 2331358617 VEPBFXUHWIGTLR-UHFFFAOYSA-N 494.529 6.325 50 10 JKGE COc1cc(-c2csc(C(C#N)=C(O)c3ccc(OC(C)=O)cc3)n2)c(OC)cc1Cl 2331377349 NSBZQEQEAKOKLL-UHFFFAOYSA-N 456.907 5.356 50 10 JKGE CCCCc1ccc(-c2csc(C(C#N)=Cc3ccc(OCc4ccccc4)c(OCC)c3)n2)cc1 2331429363 RKIKSBUPWIJBGA-UHFFFAOYSA-N 494.660 8.195 50 10 JKGE COc1ccc(-c2csc(C(C#N)=Cc3ccccc3OCc3ccccc3Cl)n2)c(C)c1C 2331468146 DOWAZZPHKZPIEH-UHFFFAOYSA-N 487.024 7.732 50 10 JKGE Brc1ccc(OCc2ccccc2)c([C@@H](Br)[C@@H]2C[C@H]2c2ccccc2)c1 2336039880 ARBDETJRVRMZOX-MZKRTTBSSA-N 472.220 7.268 50 10 JKGE COc1cc(Cl)ccc1[C@@H](Cl)c1cc(Br)ccc1OCc1ccccc1 2336049310 BKKZPQZXAWKCPI-OAQYLSRUSA-N 452.175 7.018 50 10 JKGE Fc1c(Br)cc(Cl)c([C@H](Br)C[C@H]2C[C@H]2C2CC2)c1Br 2337082116 HSLYPEKORXBIQE-HRDYMLBCSA-N 475.421 6.876 50 10 JKGE Fc1c(Br)cc(Cl)c([C@@H](Br)C23CCC(CC2)C3)c1Br 2337102037 BAVLFVDEYUINQP-MBWFCSIISA-N 475.421 7.020 50 10 JKGE Cc1c(F)ccc([C@@H](Br)c2c(Br)c(Br)nn2C)c1F 2338866816 GWNOLPRZICUPEA-MRVPVSSYSA-N 458.926 5.016 50 10 JKGE C[C@@H]1C[C@H]2C[C@]([C@H](Br)c3cc(Br)c(Br)cc3F)(C2)O1 2342638825 FOXBWUOMFWFDHW-ZIIBWEGUSA-N 456.975 5.744 50 10 JKGE C[C@@H](Cl)c1nc2cc(F)c(Br)cc2n1[C@@H]1CN(Cc2ccccc2)C[C@H]1C 2357223278 QIZCYVLXFVRIMX-ARGWCVDVSA-N 450.783 5.931 50 10 JKGE CC(F)(F)C1([C@H](Br)c2c(Cl)cc(Br)c(F)c2Br)CCC1 2362223239 LLXLWCOYNDKZKT-LLVKDONJSA-N 499.390 7.266 50 10 JKGE Cc1cc(Br)c(F)c(Br)c1[C@H](Br)[C@H]1CCCOC1(C)C 2365194372 QFBZHQBTYLZDIL-BXKDBHETSA-N 473.018 6.300 50 10 JKGE O=C(N[C@H](CBr)C1CCCCC1)c1ccc(Cl)cc1I 2365585860 GAYKHGRWIGHJTQ-CQSZACIVSA-N 470.576 5.018 50 10 JKGE CCCCO[C@H]1[C@@H](OCc2ccc(Cl)cc2I)C[C@H]1Br 2365647806 NLGQKUDPDCNAQH-VHDGCEQUSA-N 473.576 5.182 50 10 JKGE CC[C@H](OCc1cc(I)ccc1Br)c1nc(CCl)cs1 2367278129 MHNYAWBAHVMZMB-ZDUSSCGKSA-N 486.600 5.917 50 10 JKGE Clc1cc(Br)c([C@H](Br)C[C@H]2CC[C@H]2C2CC2)c(Cl)c1Cl 2367952243 ZMCAETQDLZPTIR-KXUCPTDWSA-N 461.452 7.672 50 10 JKGE Cc1cc(Br)c(C)c([C@@H](Br)C23CC(C[C@@H](C)O2)C3)c1Br 2368126903 WMZDTIXMRHZYIT-FTARWIBASA-N 467.039 6.222 50 10 JKGE CCCCCCc1cc2cc(C(=O)Nc3ccccc3)/c(=N/NC(=O)c3ccccc3)oc2cc1O 1877532 HJGKAZSVTVFUDX-OVXWJCGASA-N 483.568 5.759 50 10 JKGE CCCCOc1ccc(C(=O)NNC(=O)c2ccc(NC(=O)c3ccc(C(C)(C)C)cc3)cc2)cc1 14029931 MTAUZZIZRHBBLR-UHFFFAOYSA-N 487.600 5.490 50 10 JKGE COc1ccc(/C=C(/C#N)c2nc(-c3cc4cc(Br)ccc4oc3=O)cs2)cc1 33246766 ZCNHFWJUVAMWPN-NVNXTCNLSA-N 465.328 5.752 50 10 JKGE Cc1ccc(-c2csc(/C(C#N)=C/c3ccc(-c4cc(C(F)(F)F)ccc4Cl)o3)n2)cc1 33567856 JVRLDUXUIUSQQV-MHWRWJLKSA-N 470.903 8.115 50 10 JKGE N#C/C(=C/c1ccc(OCCCOc2ccc(Cl)cc2)c(Cl)c1)C(=O)NCc1ccco1 33722724 IMUYQTZUXJYYIG-AQTBWJFISA-N 471.340 5.658 50 10 JKGE CCOc1ccc(-c2nn(-c3ccccc3)cc2/C=C(\C#N)c2nc(O)c3ccccc3n2)c(C)c1 34988455 XMXZWPMYDDITMJ-CAPFRKAQSA-N 473.536 5.959 50 10 JKGE CCOc1ccc(-c2nn(-c3ccccc3)cc2/C=C2/C(=O)N(CC(C)C)C(=O)C(C#N)=C2C)cc1 38605431 SQSCOEMTKXTSPI-MFKUBSTISA-N 480.568 5.186 50 10 JKGE CC(C)c1ccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)COc4ccc(F)cc4)ccc32)cc1 38649405 WXIFGZQTYDIBDI-AREMUKBSSA-N 458.489 5.152 50 10 JKGE CCCCOc1ccccc1[C@@H]1C(C#N)=C(N)Oc2cc(OC(=O)Cc3ccc(OC)cc3)ccc21 38683147 OULMIWQNHQLMHV-NDEPHWFRSA-N 484.552 5.240 50 10 JKGE Cc1ccc(C(=O)NNC(=O)c2ccc(-n3nc(C(F)(F)F)cc3-c3cccs3)cc2)cc1 39852356 QKXWQRZVFFXBQD-UHFFFAOYSA-N 470.476 5.003 50 10 JKGE Cc1ccc2[nH]c(-c3ccc4ccccc4n3)c(CCCC(=O)NNC(=O)c3ccccc3F)c2c1 39867312 BTEMLAPINHKACY-UHFFFAOYSA-N 480.543 5.615 50 10 JKGE Cc1cccc(C(=O)N/N=C2\CCCc3oc(C(=O)Oc4cccc5ccc(C)nc45)c(C)c32)c1 40811404 NYSCIOZMMBLWDK-MWAVMZGNSA-N 467.525 5.443 50 10 JKGE COc1ccc(C(=O)N/N=C2\CCCc3oc(C(=O)Oc4cccc5ccc(C)nc45)c(C)c32)cc1 40813887 IHURDAWTPKXWET-MWAVMZGNSA-N 483.524 5.143 50 10 JKGE Cc1c(C(=O)Oc2cccnc2)oc2c1/C(=N/NC(=O)c1ccc(-c3ccccc3)cc1)CCC2 40822796 DOIRGHQVKHPFAO-JJKYIXSRSA-N 465.509 5.340 50 10 JKGE Cc1c(C(=O)Nc2ccccc2Br)oc2c1/C(=N/NC(=O)c1cccs1)CCC2 40823727 KYLOIQTVJBPXFU-BUVRLJJBSA-N 472.364 5.135 50 10 JKGE COc1cc(/C=C(\C#N)c2ccc(Cl)cc2)ccc1OC(=O)[C@@H](C)N1C(=O)c2ccccc2C1=O 40840723 YYONWZPXXAGEFN-CXDFQFJYSA-N 486.911 5.003 50 10 JKGE CCc1ccccc1OCC(=O)N/N=C/c1cc(Br)c(OCc2ccccc2)c(OC)c1 40889022 BQHQEMHTNRRQBC-JFLMPSFJSA-N 497.389 5.128 50 10 JKGE CCCOc1ccccc1/C=C(\C#N)C(=O)Nc1sc(C)c(-c2cccc(Cl)c2)c1C(=O)OC 41018290 HLSOTCUZHYODBB-CPNJWEJPSA-N 495.000 6.498 50 10 JKGE C=CCc1cc(/C=C(/C#N)C(=O)Nc2ccc(C)cc2)cc(OCC)c1OCc1ccccc1C#N 59335736 OGRCGIIZOBMHGH-QQXSKIMKSA-N 477.564 6.119 50 10 JKGE O=C(N/N=C(/CSc1nc2ccccc2s1)c1ccc([N+](=O)[O-])cc1)c1cccc([N+](=O)[O-])c1 59460604 YOUOWSYAMRQDRQ-CLCOLTQESA-N 493.526 5.039 50 10 JKGE Cl[C@@H]1C[C@@H](Oc2c(Br)cc(Br)cc2Br)C12CCCC2 97646571 VVNDJDFDPXZHJQ-VXGBXAGGSA-N 473.430 6.293 50 10 JKGE CCCCCCOc1ccccc1C(=O)N/N=C(/c1ccccc1)[C@H]1C(=O)N(c2ccccc2)N=C1C 105424341 JLJBDDJBDMIBAQ-QWRSWDFSSA-N 496.611 5.819 50 10 JKGE CC(C)(C)c1ccc2c(c1)O[C@@H](C(=O)N/N=C/c1cc(/N=N/c3ccccc3Cl)ccc1O)CO2 108804261 NHQJJWXPBFELOA-WTWJDGJJSA-N 492.963 6.049 50 10 JKGE Brc1ccc([C@H](Br)c2cc3c(cc2Br)OCCO3)o1 109865452 ZWUBXIHOHVKYAU-CYBMUJFWSA-N 452.924 5.060 50 10 JKGE CCOc1cc(Cl)c([C@@H](Br)c2sccc2Br)cc1OCC 111536504 PWRGAVTTYHBETO-CQSZACIVSA-N 454.611 6.446 50 10 JKGE Cc1cc([C@@H](Br)c2ccc(I)cc2)sc1Br 126778383 FZEJICCDNZVZLM-NSHDSACASA-N 471.983 5.908 50 10 JKGE N#CSc1ccc(N/C=C(/C#N)C(=O)N2CCN(C(c3ccccc3)c3ccccc3)CC2)cc1 216501146 PHSWURRIVQKNSF-GFMRDNFCSA-N 479.609 5.013 50 10 JKGE C[C@@H]1CCCC[C@H]1NC(=O)[C@H](c1ccc(Cl)cc1)N(C(=O)CCl)c1ccc(Cl)cc1 230274932 WVMCCJIBNSDMCC-QPJICYPMSA-N 467.824 6.001 50 10 JKGE O=C1Cc2cc([C@@H](Br)c3ccc(Br)cc3Br)ccc2N1 232453115 CLHHMCCKXYFKRM-OAHLLOKOSA-N 459.963 5.191 50 10 JKGE CCOc1ccc(Br)cc1[C@@H](Cl)c1cccc(C)c1I 233780566 SMUZPSVBOLUBRZ-HNNXBMFYSA-N 465.556 6.089 50 10 JKGE Cc1cc(Cl)c([C@H](Br)c2cc(Br)sc2Br)cc1C 235844362 PUVVOADVLBNBMI-LBPRGKRZSA-N 473.455 7.028 50 10 JKGE Cc1cccc([C@@H](Br)Cc2ccc(Cl)c(Cl)c2)c1I 235926904 HVRMXOCXZFCHEC-LBPRGKRZSA-N 469.975 6.585 50 10 JKGE Fc1cc(F)c([C@@H](Cl)c2cc(Br)ccc2I)c(F)c1 236239369 HJLWQSGIWRECJW-ZDUSSCGKSA-N 461.446 5.799 50 10 JKGE CC(=NNC(=O)c1ccc(C(C)(C)C)cc1)c1cccc(NC(=O)c2ccc(Br)o2)c1 252627858 SCXSGKZJDVTYSX-UHFFFAOYSA-N 482.378 5.746 50 10 JKGE CCCOc1ccc(/C=C(\NC(=O)c2ccccc2)C(=O)NN=C(C)c2ccc(OCC)cc2)cc1 254491915 BXQMLCZIGDFDSF-XQZGMZIGSA-N 485.584 5.185 50 10 JKGE O=C(COc1ccc2ccccc2c1)NN=Cc1ccc(OC(=O)c2cccc3ccccc23)cc1 254513115 HMDQEKHFEWZWRL-UHFFFAOYSA-N 474.516 5.741 50 10 JKGE O=C(CSc1nnc(CNc2cccc3ccccc23)n1-c1ccccc1)NN=Cc1ccccc1 254876164 JMKVJELZCKYDKL-UHFFFAOYSA-N 492.608 5.275 50 10 JKGE CC1(C)[C@H](Cl)C[C@H]1Oc1c(I)cc(Cl)cc1I 310443183 XKDIFACOHUOQLC-NXEZZACHSA-N 496.941 5.334 50 10 JKGE CCc1cc(C)sc1[C@H](Br)c1cc(Br)cc(Br)c1 311209040 KMDUFDKCTGZWFC-CYBMUJFWSA-N 453.037 6.628 50 10 JKGE FC(F)(F)c1csc([C@H](Cl)c2ccc(Br)cc2Cl)c1Br 312929402 FGTWZARBYGMDBG-SNVBAGLBSA-N 468.947 7.274 50 10 JKGE Cc1cc([C@@H](Br)c2cc(Br)ccc2Br)c(C)cc1F 386441108 OTLXDPIMMYRMLS-OAHLLOKOSA-N 450.971 6.452 50 10 JKGE Fc1cc(Br)c([C@@H](Cl)c2cccc(I)c2)c(F)c1F 398531810 SDGFDYMGBAPHSG-NSHDSACASA-N 461.446 5.799 50 10 JKGE Fc1cc(Br)c(Cl)cc1[C@@H](Br)c1nscc1Br 404756718 GAAUYMGRIRJEMR-SECBINFHSA-N 464.379 5.945 50 10 JKGE Brc1cscc1[C@@H](Br)c1cc2c(cc1Br)OCCO2 404781524 WIRUMHRCTZESKY-ZDUSSCGKSA-N 468.992 5.529 50 10 JKGE Clc1cc([C@@H](Br)c2sccc2Br)c(Cl)c(Cl)c1Cl 405008649 NVRCQIOBVZTFOA-SSDOTTSWSA-N 469.840 7.609 50 10 JKGE CC(C)(C)[Si](C)(C)OCCc1cccc([C@@H]2CCCCCN2CCO[Si](C)(C)C(C)(C)C)c1 616625546 PQYDYEHVLVNIHX-SANMLTNESA-N 491.909 8.190 50 10 JKGE COCc1cc(Br)c([C@@H](Br)c2c(C)cccc2Br)s1 688146337 OSXJPCGCIDKSDZ-ZDUSSCGKSA-N 469.036 6.212 50 10 JKGE CC1(C)COc2c([C@H](Br)c3nscc3Br)cc(Br)cc21 688197057 QVUJZROXHVHSPO-NSHDSACASA-N 482.035 5.822 50 10 JKGE C[C@@H](Cl)c1nc2cccc(Br)c2n1-c1ccc(I)cc1 697743715 FOOWALYCSPPVME-SECBINFHSA-N 461.528 5.692 50 10 JKGE COCCOc1ccc([C@@H](Br)c2ncsc2Br)cc1Br 698681948 NKKJUVSFOIODIO-LLVKDONJSA-N 486.023 5.178 50 10 JKGE CCN(C[C@](C)(CI)OC[C@@H]1C[C@H]1C(C)(C)C)C(=O)OC(C)(C)C 703460597 BYPRYQXYPDSMEW-KHYOSLBOSA-N 453.405 5.136 50 10 JKGE CCOc1ccc([C@@H](O)CCC(=O)NN=Cc2c(C)n(Cc3ccccc3C#N)c3ccccc23)cc1 1083924015 YOAXTPDBCSCONB-LJAQVGFWSA-N 494.595 5.232 50 10 JKGE N#C/C(=C\c1cn(Cc2ccc(Cl)cc2)c2ccccc12)C(=O)Nc1cccc(Cl)c1Cl 1084062765 BTPQEONWGLYDPZ-SFQUDFHCSA-N 480.782 7.195 50 10 JKGE Cc1c(C(=O)Nc2ccc(F)cc2)oc2c1C(=NNC(=O)c1ccc(Cl)cc1Cl)CCC2 1772749006 VNOLSCJVMAJHSW-UHFFFAOYSA-N 474.319 5.757 50 10 JKGE Cc1cc(C)c2c(CC(=O)NN=C3CCCc4oc(C(=O)Oc5ccc(F)cc5)c(C)c43)coc2c1 1772751890 CVBRJTORWXEJJF-UHFFFAOYSA-N 488.515 5.709 50 10 JKGE CCOC(=O)c1c(-c2ccc(CC)cc2)csc1NC(=O)C(=O)Nc1ccc(SC#N)cc1 1860746977 NSNYKRYNELLWRV-UHFFFAOYSA-N 479.583 5.305 50 10 JKGE COc1ccc2ccccc2c1[C@H]1C(C#N)=C(N)Oc2c1c(C)nn2-c1ccc(Cl)c(Cl)c1 1865688357 QFEBTRVCJLOEKE-QHCPKHFHSA-N 477.351 5.868 50 10 JKGE CCCCCOc1ccc([C@@H]2C(C#N)=C(N)Oc3c2c(CCC)nn3-c2cccc3ccccc23)cc1 1865689710 CTKYDRSWQDCPTJ-MUUNZHRXSA-N 492.623 6.765 50 10 JKGE CCCc1nn(CC(C)C)c2c1[C@@H](c1ccc(OCc3ccc(C)cc3)c(OC)c1)C(C#N)=C(N)O2 1865695067 IWIKJYOOGCDUMU-SANMLTNESA-N 486.616 5.606 50 10 JKGE COc1ccc(-c2nn(-c3ccc(C)cc3)c3c2[C@H](c2ccc(OC)c(OC)c2)C(C#N)=C(N)O3)cc1 1865707246 RSVHLHUYGSHKIU-RUZDIDTESA-N 494.551 5.092 50 10 JKGE N#CC1=C(N)Oc2c(c(-c3ccccc3)nn2Cc2ccc(Cl)cc2)[C@@H]1c1cccc(F)c1 1865711360 WHMFSPJOMMUCIS-JOCHJYFZSA-N 456.908 5.609 50 10 JKGE CCc1nc(Nc2ccc(SC#N)cc2)cc(N2CCc3ccccc3[C@@H]2c2ccccc2OC)n1 1868278088 RUIPHRMTLTUQEQ-GDLZYMKVSA-N 493.636 6.516 50 10 JKGE CCCc1nc(Nc2ccc(SC#N)cc2)cc(N2C[C@H](CC)Cc3cc(OC)ccc32)n1 1868388096 FGKVTBRTTQKWRQ-GOSISDBHSA-N 459.619 6.475 50 10 JKGE COc1cc2nc(/C(C#N)=C/c3ccc(OCc4ccc(F)cc4)cc3)nc(O)c2cc1OC 1872727729 WOLAJHBFMPFOMS-WOJGMQOQSA-N 457.461 5.135 50 10 JKGE CC(C)c1ccccc1O[C@H](C)/C(O)=C(\C#N)c1nc(-c2cccc(Br)c2)cs1 1872745817 FAYYYNWNJACFEY-GTOLFZDISA-N 469.404 6.956 50 10 JKGE N#C/C(=C(/O)c1ccc(N2CCOCC2)c([N+](=O)[O-])c1)c1nc(-c2ccc(Cl)cc2)cs1 1872748121 JJMZONMFUHMFIZ-FXBPSFAMSA-N 468.922 5.158 50 10 JKGE Cc1ccc(-c2csc(/C(C#N)=C(\O)c3ccc4c(c3)C(=O)N(c3cccc(C)c3C)C4=O)n2)cc1 1872749189 GMDYYLKUGVKQFC-RWEWTDSWSA-N 491.572 6.486 50 10 JKGE COc1ccc(Cl)cc1N1C[C@@H](/C(O)=C(\C#N)c2nc(-c3ccc(F)c(F)c3)cs2)CC1=O 1872751580 NVGQXOVXRPDXCZ-NHEFTAMWSA-N 487.915 5.596 50 10 JKGE CCOc1ccc(OCC)c(-c2csc(/C(C#N)=C(O)/C=C/c3ccc(C(C)(C)C)cc3)n2)c1 1872754929 QACNDLYWHKCPKS-KOGOKJSQSA-N 474.626 7.411 50 10 JKGE COc1ccc(-c2csc(/C(C#N)=C(O)/C=C/c3ccc(C(C)C)cc3)n2)c2ccccc12 1872758956 YKZJTJXGQMTTNI-MFEYTRKPSA-N 452.579 7.601 50 10 JKGE CCCOc1c(/C=C(\C#N)c2nc(-c3cccc(Br)c3)cs2)cccc1OC 1872784142 FDPSGILGSBQVDM-GZTJUZNOSA-N 455.377 6.434 50 10 JKGE CCCCOc1c(Br)cc(/C=C(\C#N)c2nc(-c3cccs3)cs2)cc1OC 1872791630 MXWONHDJTSVNIU-OQLLNIDSSA-N 475.433 6.886 50 10 JKGE CCCCCCCOc1ccc(-c2csc(/C(C#N)=C/c3ccccc3OC(C)C)n2)cc1 1872791793 SDBTWLXAKQLKEJ-HKOYGPOVSA-N 460.643 8.011 50 10 JKGE CCCCCOc1ccc(/C=C(\C#N)c2nc(-c3cc(C)c(Cl)cc3OC)cs2)cc1OC 1872794071 IZYPLLUIKHSKQD-XDHOZWIPSA-N 483.033 7.422 50 10 JKGE C[C@H](CBr)N(Cc1ccccc1)S(=O)(=O)c1ccc(Cl)c(Br)c1 1914354469 YXTPOYHQNOBIBL-GFCCVEGCSA-N 481.637 5.077 50 10 JKGE CC[C@@H](Br)CN(Cc1ccccc1)C(=O)c1ccc(Br)cc1C(F)(F)F 1915099819 XZTAIIOEHNEOIL-CQSZACIVSA-N 493.161 6.284 50 10 JKGE Cc1cccc(C(=O)N(Cc2ccccc2)C(C)(C)CBr)c1I 1915753648 JHDXQXOVTONANW-UHFFFAOYSA-N 486.191 5.416 50 10 JKGE Cc1ccc([C@H](Br)c2c(Br)sc(Br)c2Cl)cc1 1923070444 AOVVLAVCDQFNFI-VIFPVBQESA-N 459.428 6.719 50 10 JKGE CCCC1([C@@H](Br)c2c(Br)sc(Br)c2Br)CC1 1924580654 UDENIVMFQNPEND-QMMMGPOBSA-N 495.900 7.052 50 10 JKGE Cc1cc(Br)sc1[C@H](Br)c1ccc(Cl)c(Br)c1 1950207577 IEJQKSDHKDMKLE-LLVKDONJSA-N 459.428 6.719 50 10 JKGE CCc1cc(Br)c([C@H](Br)c2cc(Br)c(Cl)s2)s1 2004901629 BGXQANUOHKBCMA-SECBINFHSA-N 479.484 7.035 50 10 JKGE Cc1cc(CBr)cc(S(=O)(=O)N(Cc2ccccc2)C(C)C)c1Br 2009647141 RNPYQJDOACCDQR-UHFFFAOYSA-N 475.246 5.252 50 10 JKGE CCn1cc(Br)c([C@@H](Cl)c2cc(Br)sc2Br)n1 2010560561 CIGWGWOHTAJUGO-QMMMGPOBSA-N 463.420 5.580 50 10 JKGE Brc1cccc([C@H](Br)CCc2ccc(I)cc2)c1 2050568669 VMZAXLIYVWENRL-OAHLLOKOSA-N 479.981 6.123 50 10 JKGE C[C@@H]1C[C@@H](N(C)c2cc(Br)cc(F)c2CBr)CN1Cc1ccccc1 2051133948 ZPPZDSKTLMOCBI-RHSMWYFYSA-N 470.224 5.582 50 10 JKGE COCc1cc(Br)c([C@H](Br)c2cc(Br)c(Cl)s2)s1 2052446630 VAZGRTIDEIVZFU-SECBINFHSA-N 495.483 6.619 50 10 JKGE Cc1cc(Br)c([C@@H](Br)[C@@H]2C[C@H]3[C@@H](C2)C3(C)C)cc1Br 2093575221 JNNPVUDINWKVMY-LIBKGXAOSA-N 451.040 6.638 50 10 JKGE C[C@]1(CC(CBr)(CBr)c2ccc(Br)cc2)CCCO1 2096625499 SOHSVLNOKNNOPZ-CQSZACIVSA-N 455.028 5.436 50 10 JKGE CC(C)(CBr)[C@H]1CCCN1Cc1cccc(Br)c1Br 2099643797 WCNQRUOLOLIQKV-CYBMUJFWSA-N 454.044 5.597 50 10 JKGE Cn1nc([C@@H](Br)c2cc(F)c(Br)cc2F)c(Br)c1Cl 2110728360 OHUSHJKZAXVNPW-QMMMGPOBSA-N 479.344 5.361 50 10 JKGE Fc1ccc(Oc2cc(Br)cc(F)c2CBr)cc1Br 2114264883 UOYZIHBTXHINOL-UHFFFAOYSA-N 456.906 6.177 50 10 JKGE CN(C(=O)c1csc(Br)c1Br)C1(CBr)CCSCC1 2114718145 BFIIFXDROBGRPJ-UHFFFAOYSA-N 492.096 5.006 50 10 JKGE Brc1ccc(Br)c(CN2C[C@@H](Br)CC3(CCC3)C2)c1 2118529264 CMOMWKSZMYZTET-ZDUSSCGKSA-N 452.028 5.351 50 10 JKGE F[C@H]1[C@H](Br)C[C@H]2CC[C@H]1N2Cc1cc(Br)ccc1Br 2134129950 OJIPDPBOVQBRAV-ZRJCITRHSA-N 455.991 5.050 50 10 JKGE Cc1cc(Br)c(C)c([C@H](Br)[C@@H]2CCC[C@H]3C[C@@H]32)c1Br 2136365799 BEDLUSKKYBAFCB-MEQWQQMJSA-N 451.040 6.701 50 10 JKGE Cc1cc(Br)c(C)c([C@H](Br)[C@@H]2COC(C)(C)C2)c1Br 2136372290 SSFAOVAUHXTZAC-IINYFYTJSA-N 455.028 6.080 50 10 JKGE Cc1cc(Br)c(C)c([C@@H](Br)C[C@@H](C)C(C)(C)C)c1Br 2136380133 RQCOOGDFNWOKSO-MFKMUULPSA-N 455.072 7.337 50 10 JKGE COc1c(C)cc(Br)cc1[C@H](Cl)c1scc(Br)c1Br 2141660198 MFTUEQCWAUVNTA-NSHDSACASA-N 489.454 6.681 50 10 JKGE Cc1ccc([C@@H](Br)c2cc(Br)c3c(c2)CCO3)c(Br)c1 2146626387 FGGXVUOIMRXATH-HNNXBMFYSA-N 460.991 5.939 50 10 JKGE CC1(C)CC[C@@H](CBr)N(C(=O)c2c(Br)cccc2Br)C1 2150497220 ZCDGICLIPSILRV-JTQLQIEISA-N 468.027 5.237 50 10 JKGE Fc1cc(Br)ccc1C[C@H](Br)c1cc(Br)c(Cl)cc1F 2154119653 DPNCNVQZEWGEER-JTQLQIEISA-N 489.379 6.822 50 10 JKGE CO[C@](C)(COCc1ccccc1)Cn1c(CCl)nc2cc(C)c(Br)cc21 2158591081 YGMBMPTYOZZBMP-NRFANRHFSA-N 451.792 5.468 50 10 JKGE CN(C[C@@H](Br)C1CCCC1)C(=O)c1cccc(Br)c1Br 2167644163 VKCHBXVYMYFWPJ-CYBMUJFWSA-N 468.027 5.237 50 10 JKGE CCOc1ccc([C@@H](Br)c2nc(CC)sc2Br)c(Br)c1 2169488170 OGPQEDCDLHYICL-GFCCVEGCSA-N 484.051 6.114 50 10 JKGE CN(C(=O)c1cccc(Br)c1Br)C1(CBr)CCCCC1 2170166316 PFTTZPSNFYUJGS-UHFFFAOYSA-N 468.027 5.381 50 10 JKGE C[C@@H]1OCC[C@@H]1CCC(CBr)(CBr)c1cccc(Br)c1 2196319252 YQVQSPBNMUISMA-STQMWFEESA-N 469.055 5.682 50 10 JKGE ClCc1cc(Br)c(OCc2cc(Cl)cc(Cl)c2)c(Br)c1 2197965938 LBPRKXBFNQJNJJ-UHFFFAOYSA-N 459.392 6.836 50 10 JKGE Fc1cc(Br)c(Br)cc1[C@@H](Br)c1csc(Cl)c1 2213491019 ZRQGVEQKBHBMRS-NSHDSACASA-N 463.391 6.550 50 10 JKGE Cc1sc(Br)c(C)c1[C@@H](Br)c1cccc(OCc2ccccc2)c1 2213641130 MYMHYXKUHKUZRR-IBGZPJMESA-N 466.238 7.191 50 10 JKGE Cc1sc([C@H](Br)c2c(Cl)sc(Br)c2Cl)cc1Br 2213745900 CDYGBPGYQUKIOD-ZETCQYMHSA-N 499.902 7.434 50 10 JKGE Clc1cc(Br)c([C@@H](Cl)c2cscc2Br)c(Cl)c1Cl 2217609907 DEJALZDRZSJLGJ-VIFPVBQESA-N 469.840 7.562 50 10 JKGE Clc1cscc1[C@@H](Br)c1c(Br)cc(Cl)c(Cl)c1Cl 2217612856 ITHAERDAUNGQDA-SECBINFHSA-N 469.840 7.609 50 10 JKGE Cc1c(Br)sc([C@H](Br)c2cc(Br)ccc2Cl)c1C 2218789204 GWULEDNEBAWYAJ-LLVKDONJSA-N 473.455 7.028 50 10 JKGE Cc1c(Br)ccc([C@H](Br)[C@H]2CC[C@@H]2C(F)(F)F)c1Br 2224380449 QYSASINRNGOWPY-QOSJWCAFSA-N 464.945 6.545 50 10 JKGE CC[C@H](C)[C@@H](CI)NCc1c(Br)sc2ccccc12 2224703169 WQTQQTVOPVNGFY-GXFFZTMASA-N 452.199 5.603 50 10 JKGE Clc1c(Br)sc(Br)c1[C@H](Br)[C@@H]1OC[C@@H]2CCCC[C@@H]21 2224947796 PLYPZFXDFCVNMB-BGTQOLROSA-N 493.486 6.568 50 10 JKGE Cc1cc(Br)c([C@@H](Br)[C@H]2C[C@H]3CC[C@H]2O3)c(C)c1Br 2227353031 FAGKEUUPFMLRGS-HMDURAKOSA-N 453.012 5.832 50 10 JKGE CCOCc1cc(Br)c([C@@H](Cl)c2cc(I)ccc2F)s1 2233016921 BAYYSPYTSOOIDL-ZDUSSCGKSA-N 489.575 6.119 50 10 JKGE C[C@@H](Cl)c1nc2cc(Cl)c(Cl)cc2n1C[C@H]1CC1(Br)Br 2233042912 ZFGAWFBRXZTJFT-RNFRBKRXSA-N 461.412 6.149 50 10 JKGE O=C(c1csc(Br)c1Br)N1CC[C@H]2[C@H](CCC[C@H]2Br)C1 2233741818 CMXHQFWSOBRJLG-WCABBAIRSA-N 486.067 5.299 50 10 JKGE Cc1cc(Br)c([C@@H](Br)[C@@H]2CCCCS2(=O)=O)c(C)c1Br 2235604245 NAYCTXMVWCCYOO-FZMZJTMJSA-N 489.067 5.232 50 10 JKGE Fc1cc([C@@H](Br)c2c(F)cc(F)c(Br)c2F)ccc1Br 2236112222 YDVDFMURKLOEKW-LLVKDONJSA-N 476.887 6.252 50 10 JKGE CC(C)(C)OC(=O)NC[C@](C)(CI)OCC[C@H]1CCCCC12CC2 2246627647 SGFBNLJBWFGWCO-QAPCUYQASA-N 451.389 5.082 50 10 JKGE Fc1cccc(I)c1[C@H](Br)c1ccc(Cl)c(Cl)c1 2255961002 RYIGCFHQZQEMAK-CYBMUJFWSA-N 459.911 6.221 50 10 JKGE Clc1ccc([C@H](Br)Cc2ccncc2Cl)cc1I 2256334944 DOUKGOBMOHVGIW-SNVBAGLBSA-N 456.936 5.672 50 10 JKGE C[C@H](c1ccncc1Br)[C@@H](Cl)c1c(F)cccc1I 2267657244 ZYMQMDZLFXRSCH-XLKFXECMSA-N 454.508 5.671 50 10 JKGE CC(C)c1ccc([C@@](C)(CI)O[C@H]2CCN(Cc3ccccc3)C2)cc1 2272051691 XWJSQIUFSDQBBZ-XZOQPEGZSA-N 463.403 5.751 50 10 JKGE CC1CC(CBr)(CN2CCN(C(=O)OC(C)(C)C)[C@H](C)C[C@H]2C(F)(F)F)C1 2280060069 NDNIGSSNEGIOPH-DGSCNEQVSA-N 457.375 5.060 50 10 JKGE Fc1cc(Br)c(F)c(Br)c1[C@H](Br)C1CC[C@H]2C[C@@H]2CC1 2288374002 OKHBSAANHQNLGI-MWODSPESSA-N 472.993 6.752 50 10 JKGE Fc1cc(Br)c(F)c(Br)c1[C@H](Br)[C@@]12CCCC[C@@H]1CC2 2288997695 KUFSXBNTJLBKEV-UKXDHYTESA-N 472.993 6.896 50 10 JKGE CCCCCOC(=O)c1ccc(NC(=O)C(C#N)=Cc2ccc(-c3ccc(Cl)cc3Cl)o2)cc1 2293038769 YMPYAQQUGOBUGT-UHFFFAOYSA-N 497.378 7.146 50 10 JKGE CC(C=NNC(=O)CSc1nnc(-c2cccc(Cl)c2)n1C)=Cc1ccc(C(C)C)cc1 2296056484 UYWIWAOCRCUJDX-UHFFFAOYSA-N 468.026 5.557 50 10 JKGE Cc1ccc(N2C(=O)[C@@H](Cc3ccccc3C)SC2=C(C#N)C(=O)Nc2ccc(F)cc2)cc1 2296633559 INLUVTYIVDHHOL-XMMPIXPASA-N 471.557 5.508 50 10 JKGE N#CC(=CNc1ccc(Cl)c(C(F)(F)F)c1)c1nc(-c2ccc(Br)cc2)cs1 2296800578 HDMQLPLUCWVWGE-UHFFFAOYSA-N 484.728 7.221 50 10 JKGE Cc1c(Br)sc([C@@H](Br)C[C@H]2CCC2(F)F)c1Br 2299032004 DPWIDUJKUGCCGE-RQJHMYQMSA-N 452.984 6.453 50 10 JKGE CC1([C@@H](Br)c2cc(Br)ccc2OCc2ccccc2)CC(F)(F)C1 2299501952 SIZJCIPQKFQQQN-KRWDZBQOSA-N 460.156 6.900 50 10 JKGE CC[C@]1([C@H](Br)c2ccc(OCc3ccccc3)cc2Br)CC1(F)F 2299525505 OLQOTLKNKHSXRY-QZTJIDSGSA-N 460.156 6.900 50 10 JKGE ClC[C@H](Br)[C@@H](CCl)OCc1ccc(Cl)cc1I 2301825006 IDDGXUBODKTIMF-GXSJLCMTSA-N 472.375 5.071 50 10 JKGE COc1cc(C=C(C#N)C(=O)Nc2cc(C)ccc2C)c([N+](=O)[O-])cc1OCc1ccccc1 2313510979 HKDZPHPBAJPJRT-UHFFFAOYSA-N 457.486 5.345 50 10 JKGE COc1cc(C=C(C#N)C(=O)Nc2ccc(C)cc2)ccc1OCc1c(Cl)cccc1Cl 2313631784 VOGIJQYVIULUIR-UHFFFAOYSA-N 467.352 6.435 50 10 JKGE CCOc1cc(C=C(C#N)C(=O)Nc2cccc(C(F)(F)F)c2)ccc1OCc1ccc(F)cc1 2313724737 YHTBFZLLVPONQX-UHFFFAOYSA-N 484.449 6.368 50 10 JKGE Cc1ccc([C@@H](Br)c2ccc(OCc3ccccc3)cc2Br)cc1Cl 2314448206 GANLXJQJHOPLER-OAQYLSRUSA-N 480.627 7.474 50 10 JKGE Brc1cc(OCc2ccccc2)ccc1[C@H](Br)[C@@H]1C[C@H]2CCCC[C@H]21 2314502883 MXFLWELOCWOMFD-ZLLBNUPZSA-N 464.241 7.290 50 10 JKGE CCCCOc1ccc(-c2nn(-c3ccccc3)cc2C=C2C(=O)N(C(C)C)C(=O)C(C#N)=C2C)cc1 2314610359 GLCIRDQHVROKON-UHFFFAOYSA-N 494.595 5.719 50 10 JKGE CCCCCCOc1ccc(C=C(C#N)C(=O)Nc2ccc(OCCCC)cc2)cc1OC 2314728940 QFAOLQQDQPBYAE-UHFFFAOYSA-N 450.579 6.379 50 10 JKGE CCC1CC([C@H](Br)c2c(Cl)cc(Br)c(F)c2Br)C1 2315441160 CYSIKBGAAWDFBL-OGIFLDNPSA-N 463.410 6.876 50 10 JKGE CCCc1ccccc1[C@@H](Br)c1sc(Cl)cc1I 2316601068 OOJBZDSIBFGYOY-CYBMUJFWSA-N 455.586 6.443 50 10 JKGE Cc1cc2sc([C@H](Br)c3sc(Cl)cc3I)cc2s1 2316776197 AGFNZEKZEIKUKM-NSHDSACASA-N 489.650 7.075 50 10 JKGE Cc1cc(Br)c(F)c(Br)c1[C@H](Cl)c1ccc(Br)o1 2317423861 RBAAXZYAXMYWJP-LLVKDONJSA-N 461.350 6.343 50 10 JKGE CC(C)(C)[C@@H]1CC[C@@H]1[C@@H](Cl)c1c(Br)sc(Br)c1Br 2320102878 VKAWEGMMVTZFTB-NYNCVSEMSA-N 479.503 7.388 50 10 JKGE CCOc1cc(C=NNC(=O)c2ccc3[nH]c4c(c3c2)CCCC4)ccc1OCc1ccccc1 2321672270 YRZWFIPRLGQOPK-UHFFFAOYSA-N 467.569 5.788 50 10 JKGE Cc1ccc2nc(-c3ccc(NC=C(C#N)C(=O)Nc4ccc([N+](=O)[O-])cc4)cc3)sc2c1 2325235113 QMMGPBWICDVXKG-UHFFFAOYSA-N 455.499 5.638 50 10 JKGE CCOC(=O)c1c(-c2ccc(CC)cc2)csc1NC(=O)C(C#N)=Cc1cccc(Cl)c1 2329687322 QBMRRXJURPEAAH-UHFFFAOYSA-N 464.974 6.353 50 10 JKGE CCCCc1ccc(N2C[C@H](C(O)=C(C#N)c3nc(-c4ccc(F)c(C)c4)cs3)CC2=O)cc1 2331320638 NRBABCCXGSZJJY-HXUWFJFHSA-N 475.589 6.446 50 10 JKGE CC(C)C[C@H](C(O)=C(C#N)c1nc(-c2c[nH]c3ccccc23)cs1)N1C(=O)c2ccccc2C1=O 2331347137 YUOOJPKTJKNPDZ-HSZRJFAPSA-N 482.565 5.795 50 10 JKGE C=CCOc1ccccc1OCC(O)=C(C#N)c1nc(-c2ccc(Oc3ccccc3)cc2)cs1 2331358933 GICSNZMFWPPDIH-UHFFFAOYSA-N 482.561 7.039 50 10 JKGE COc1cc(C)c(-c2csc(C(C#N)=C(O)CNC(=O)c3ccc(Cl)cc3)n2)cc1C 2331402837 XFPLTJVJGSRDJH-UHFFFAOYSA-N 453.951 5.312 50 10 JKGE COc1ccc(-c2csc(C(C#N)=Cc3cc(Br)cc(OC)c3O)n2)c(OC)c1 2331473204 JKDIVNAJAGNGNQ-UHFFFAOYSA-N 473.348 5.368 50 10 JKGE Cc1cc(Br)c([C@@H](Br)[C@H]2CC[C@@H]3C[C@@H]3C2)c(C)c1Br 2333708791 OZNSXCBUQVQUCQ-JBBSTSQOSA-N 451.040 6.701 50 10 JKGE Fc1c(Br)cc(Cl)c([C@H](Br)[C@@H]2CCC[C@@H]3C[C@@H]32)c1Br 2337082532 MXQCHWLWONHYDL-HZLHGAJGSA-N 475.421 6.876 50 10 JKGE Cc1cc(Br)c(F)c(Br)c1[C@H](Br)[C@@H]1CC(C)(C)CO1 2339652756 CATBHEIQOGTEDZ-GXSJLCMTSA-N 458.991 5.910 50 10 JKGE CC(C)[C@@H](Br)C(C)(C)NC(=O)c1cc(Br)ccc1Br 2340408114 YDEWOBPJNUYTJT-GFCCVEGCSA-N 456.016 5.140 50 10 JKGE Clc1ccc(I)cc1CN1CC[C@H]2CC[C@@H](Br)[C@H]1C2 2352412685 XLPLIXSIKPHQNS-WDBKCZKBSA-N 454.577 5.083 50 10 JKGE Cc1cc(Br)c([C@@H](Br)[C@@H]2[C@@H]3[C@H]2CCC3(F)F)c(C)c1Br 2358672871 DLLMFTAOTAQTGU-NVPWMLRNSA-N 472.993 6.556 50 10 JKGE Brc1ccc(OCc2ccccc2)c([C@@H](Br)[C@@H]2CCc3ccccc3C2)c1 2361206589 LNDKMRMGTJHXSV-YKSBVNFPSA-N 486.247 7.269 50 10 JKGE CC1(C)[C@@H]2CC([C@H](Br)c3c(Cl)cc(Br)c(F)c3Br)C[C@H]21 2362251563 BGNPCVWUBKXLNO-RWYTXXIDSA-N 489.448 7.122 50 10 JKGE Cc1cc(Br)c(F)c(Br)c1[C@H](Br)[C@@H](C)c1ccccc1 2365181265 VFBYFHCWRBDWKV-IINYFYTJSA-N 464.998 6.899 50 10 JKGE COc1c(Br)cc(C)c([C@H](Br)[C@@H]2[C@@H]3CCCO[C@H]32)c1Br 2365194398 QMUVXRCQDYKTTO-NVPWMLRNSA-N 469.011 5.390 50 10 JKGE O=C(N[C@H](CCBr)COCc1ccccc1)c1cc(C(F)(F)F)ccc1Cl 2369430510 DSAIEOSPZUYNPJ-OAHLLOKOSA-N 464.709 5.459 50 10 JKGE CC(C)(C)OC(=O)N1CC[C@@H](C(F)(F)F)N(C[C@](C)(CBr)C(C)(C)C)CC1 2380192375 RYHSXAAGVFMBDZ-KSSFIOAISA-N 459.391 5.307 50 10 JKGE CCOc1cc(/C=N/NC(=O)CSc2nc3ccccc3[nH]2)ccc1OCc1cccc(C)c1 32520557 ZCSFQUWJSLRVJF-JFLMPSFJSA-N 474.586 5.091 50 10 JKGE CCCOc1ccc(/C=C(/C#N)C(=O)Oc2ccc(Br)cc2Br)cc1 33378349 HUAMDXZKGVYOEE-UVTDQMKNSA-N 465.141 5.513 50 10 JKGE N#C/C(=C\c1cccc(C(F)(F)F)c1)c1nc(CCN2C(=O)c3ccccc3C2=O)cs1 34263123 SFQLXIPMUVNANY-XNTDXEJSSA-N 453.445 5.065 50 10 JKGE CCOc1ccc(NC(=O)/C(C#N)=C/c2cn(-c3ccccc3)nc2-c2cccc(OC)c2)cc1 35446344 KMDNPXIQDMUVSM-LTGZKZEYSA-N 464.525 5.492 50 10 JKGE CC(C)c1ccc(O[C@H](C)C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@@H]3c2ccc(F)cc2)cc1 38653144 PDRSPIXZMBUNLQ-WGDIFIGCSA-N 472.516 5.540 50 10 JKGE CC(C)COc1ccc(C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@H]3c2cccc([N+](=O)[O-])c2)cc1 38653938 NRZZDHPGROVANP-VWLOTQADSA-N 485.496 5.067 50 10 JKGE CCOc1ccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4cccc5ccccc45)ccc32)cc1 38685866 RAHLUAJFXADGJU-MHZLTWQESA-N 462.505 5.676 50 10 JKGE CC[C@@H](C)NC(=O)c1oc2c(c1C)/C(=N/NC(=O)C(c1ccccc1)c1ccccc1)CCC2 40815400 CBAALMFDWZOVBU-SGPAOCDASA-N 457.574 5.105 50 10 JKGE COc1cc(/C=N/NC(=O)COc2ccc(Cl)cc2Cl)ccc1OCc1ccccc1Cl 40846830 LLOICCABLTUDPH-KKMKTNMSSA-N 493.774 5.764 50 10 JKGE O=C(COc1ccc(-c2ccccc2)cc1Br)N/N=C/c1ccc(Cl)cc1Cl 40902839 SUSANVOLEFLZEY-BRJLIKDPSA-N 478.173 5.952 50 10 JKGE O=C(CCCO)N/N=C/C12c3ccccc3C(c3ccccc31)c1cn(-c3cccc4ccccc34)cc12 59382394 CRDCFQJQSLPILF-KEIPNQJHSA-N 497.598 5.646 50 10 JKGE Cc1ccc(N2C(=O)[C@H](Cc3ccccc3F)S/C2=C(/C#N)C(=O)N[C@@H](C)c2ccccc2)cc1C 101244120 HTCAHFJSCYROTG-MMMMHFDZSA-N 499.611 5.746 50 10 JKGE Fc1cc(Br)ccc1[C@H](Br)c1cc2c(cc1Br)OCCO2 109865757 RVJNXMGMSAZXMJ-HNNXBMFYSA-N 480.953 5.606 50 10 JKGE Cc1ccc(Br)cc1[C@H](Br)c1cc(Br)ccc1Br 114980474 PLIDFADFYPHANV-AWEZNQCLSA-N 497.850 6.767 50 10 JKGE Fc1ccc(C[C@@H](CBr)c2ccc(Br)cc2)cc1Br 118657648 SNENGOLCSHAUDR-LBPRGKRZSA-N 450.971 6.072 50 10 JKGE COc1ccc([C@H](Br)c2cc(Br)c(Br)s2)cc1Cl 128858624 AAEVVRUFNKPSJD-NSHDSACASA-N 475.427 6.419 50 10 JKGE COc1cc([C@H](Cl)c2ccccc2I)c(OC)cc1Br 134292107 QUYAOEHDQXCGHW-OAHLLOKOSA-N 467.528 5.399 50 10 JKGE Clc1cc(Cl)cc([C@H](Br)c2csc3c(Br)cccc23)c1 163526441 OZIVKRLAETWDKO-AWEZNQCLSA-N 451.010 7.455 50 10 JKGE Fc1ccc([C@H](Br)c2cc(Br)ccc2Br)cc1Cl 212822371 CVKBMDGVJCXKLS-ZDUSSCGKSA-N 457.362 6.488 50 10 JKGE COc1ccc([C@H](C)NC(=O)/C(C#N)=C\Nc2ccc(-c3nc4ccc(C)cc4s3)cc2)cc1 217181217 JTZKYPVHTDOSHN-RWZYYMRUSA-N 468.582 5.977 50 10 JKGE N#C/C(=C/Nc1cc(C(F)(F)F)cc(C(F)(F)F)c1)C(=O)NC1CCCCCCCCCCC1 217260000 ZOMDEUJQNHKPDG-MSUUIHNZSA-N 489.504 7.333 50 10 JKGE Fc1cc([C@H](Br)c2cc(Br)c(Cl)s2)ccc1Br 227848509 CBGCBUSFDSYXAE-JTQLQIEISA-N 463.391 6.550 50 10 JKGE COc1cc(C)c([C@@H](Br)c2cc(Br)sc2Br)cc1OC 234907650 XPAKEVJRTFOCGM-CYBMUJFWSA-N 485.035 6.083 50 10 JKGE COc1c(C)cc(Br)c(C)c1[C@@H](Br)c1ccoc1Br 235022325 IPXJHFSWSSYXST-LBPRGKRZSA-N 452.968 5.914 50 10 JKGE Cc1cc(Br)c([C@H](Br)[C@H]2C[C@H]2c2ccccc2)cc1Br 251069703 LGOOZKKIIXQIIQ-GDZNZVCISA-N 459.019 6.760 50 10 JKGE CCOc1ccc(Br)cc1C=NNC(=O)[C@@H](C)Oc1ccc(OCc2ccccc2)cc1 252632229 VRCSAQTUYOTSMI-GOSISDBHSA-N 497.389 5.344 50 10 JKGE CCCCOc1ccc(C=NNC(=O)[C@H](CC)Oc2ccc3ccccc3c2Br)cc1 252638477 YDAOAPRCXKLQBM-QFIPXVFZSA-N 483.406 6.089 50 10 JKGE 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 257512258 PIOYBULRRJNPSG-ZBJGESOTSA-N 454.695 6.837 50 10 JKGE endogenous,in-man Cc1cc(Br)c([C@@H](Br)c2cc(Cl)c(Br)s2)cc1Cl 310766497 LQVQMMXGPDVYAW-LLVKDONJSA-N 493.873 7.373 50 10 JKGE CCOc1ccc([C@@H](Br)c2ccc(OCc3ccccc3)cc2)cc1Br 388696624 FEFSESBCOFGSAM-QFIPXVFZSA-N 476.208 6.911 50 10 JKGE CC(C)(C)C[C@H](CBr)NC(=O)c1cc(Br)sc1Br 393481067 VBLYQUXFYFNLAE-SSDOTTSWSA-N 462.045 5.203 50 10 JKGE Clc1cc([C@H](Cl)c2ccccc2I)c(Cl)c(Cl)c1Cl 404728067 PCSRGDQGSLGCCE-SNVBAGLBSA-N 466.360 7.233 50 10 JKGE C[C@H](Cl)c1nc2ccc(F)c(Br)c2n1C(C)(C)CN(C)Cc1ccccc1 689781151 VXPRLFVWRKZBRG-AWEZNQCLSA-N 452.799 6.105 50 10 JKGE CC1(C)C[C@@H]([C@H](Br)c2cc(Br)c(Br)s2)C(C)(C)O1 710053912 LKTWPGWAEBHAHM-XVKPBYJWSA-N 461.057 6.303 50 10 JKGE COC[C@@H](CC(CBr)(CBr)c1ccccc1Br)C(C)C 721850774 FMPLVSQFMPSPRJ-CYBMUJFWSA-N 471.071 5.785 50 10 JKGE C[C@]1(CBr)CCCCN1C(=O)c1cc(Br)sc1Br 722989946 MRWFVIREBZLWQH-GFCCVEGCSA-N 460.029 5.053 50 10 JKGE CC(=NNC(=O)c1ccc(NC(=O)c2ccc(C(C)(C)C)cc2)cc1)c1ccc(Br)cc1 1083972472 KQCROFALCRQNNF-UHFFFAOYSA-N 492.417 6.153 50 10 JKGE O=C(NN=C1C(=O)N(C/C=C\c2ccccc2)c2ccccc21)c1ccc(Cl)cc1Cl 1084494331 LKPUEJTWWHRTRL-IQTMADEHSA-N 450.325 5.188 50 10 JKGE O=C(CCCNc1ccc(Br)cc1)NN=Cc1cc2cccc3ccc4cccc1c4c32 1084583772 CGSXWYAQYAWFQJ-UHFFFAOYSA-N 484.397 6.689 50 10 JKGE CC(C)(C)OC(=O)N1C[C@H](c2cc(C(F)(F)F)ccc2Br)[C@@H](CBr)C1 1614691146 GSWBAQNBRNYJIV-GWCFXTLKSA-N 487.154 5.813 50 10 JKGE Cc1cccc(C(=O)NN=C2CCCc3oc(C(=O)Nc4cccc5ncccc45)c(C)c32)c1 1772743600 GBVGKDNOAOECCS-UHFFFAOYSA-N 452.514 5.167 50 10 JKGE Cc1ccc(C(C)C)c(OC(=O)c2oc3c(c2C)C(=NNC(=O)c2ccccc2F)CCC3)c1 1772743755 HLHVRTYYIRWQJS-UHFFFAOYSA-N 462.521 5.849 50 10 JKGE Cc1c(C(=O)NC(C)(C)C)oc2c1C(=NNC(=O)C(c1ccccc1)c1ccccc1)CCC2 1772747594 DKLASFVYUUQWPR-UHFFFAOYSA-N 457.574 5.105 50 10 JKGE COc1ccc(-c2nn(Cc3cccc(Cl)c3)c3c2[C@H](c2ccc(O)cc2)C(C#N)=C(N)O3)cc1 1865683658 HKHUOMQPSDJFIP-HSZRJFAPSA-N 484.943 5.184 50 10 JKGE COc1ccc(-c2nn(-c3ccccc3Cl)c3c2[C@@H](c2ccc(OC)cc2)C(C#N)=C(N)O3)cc1 1865713423 YUVBIYBXFQSCLK-QHCPKHFHSA-N 484.943 5.428 50 10 JKGE Cc1nc(-c2ccc(Cl)cc2)ccc1C(=O)N/N=C\c1cccc(OCc2ccccc2)c1 1865762241 VSCCPXOJWRSGFF-RHANQZHGSA-N 455.945 6.053 50 10 JKGE CC(C)[C@@H]1c2ccccc2CCN1c1cc(Nc2ccc(SC#N)cc2)nc(C(C)(C)C)n1 1868342237 OYYWNAUEEQWOLY-RUZDIDTESA-N 457.647 6.851 50 10 JKGE COc1cccc(-c2csc(/C(C#N)=C(\O)c3cc(C(F)(F)F)cc(C(F)(F)F)c3)n2)c1 1872743961 ATISVJNLZCXQFR-VLGSPTGOSA-N 470.394 6.806 50 10 JKGE N#C/C(=C(/O)c1cc(C(F)(F)F)cc(C(F)(F)F)c1)c1nc(-c2ccc(F)cc2)cs1 1872753332 RSUZQBKGMFGFCT-ICFOKQHNSA-N 458.358 6.937 50 10 JKGE CCOc1ccc(OCC)c(-c2csc(/C(C#N)=C(\O)[C@H](C)Oc3ccc(C(C)C)cc3)n2)c1 1872754700 DYFFHYDGWLPABA-RHGYLGJDSA-N 478.614 6.991 50 10 JKGE COc1c(Cl)cc(-c2csc(/C(C#N)=C(O)/C=C/c3ccc(Cl)c(Cl)c3)n2)cc1Cl 1872755778 FKGOUHKBPXETKR-ONFNCXAOSA-N 498.218 7.938 50 10 JKGE COc1ccc(-c2csc(/C(C#N)=C(O)/C=C/c3ccc(Cl)c(Cl)c3)n2)cc1Cl 1872757413 DRYQWTFSXKCYFN-KUNSGPAMSA-N 463.773 7.285 50 10 JKGE C[C@@H](CCOc1c(Br)cc(CBr)cc1Br)C(F)(F)F 1876116554 QCZWPMNRNNZJSW-ZETCQYMHSA-N 468.933 6.074 50 10 JKGE CC(C)C[C@H](CBr)CN(OCc1ccccc1)C1CN(C(=O)OC(C)(C)C)C1 1893840130 UYWKXBPBQBORQK-LJQANCHMSA-N 455.437 5.097 50 10 JKGE Cc1nsc(Br)c1[C@H](Br)c1cc(Br)c2c(c1)C[C@H](C)O2 1912941746 INAZLWXFBBZWQA-PWCHPLFNSA-N 482.035 5.784 50 10 JKGE Cc1ccc(C(=O)N(Cc2ccccc2)C2(CBr)CCC2)cc1Br 1915755425 AGYGKXOFLXSMOK-UHFFFAOYSA-N 451.202 5.718 50 10 JKGE Fc1ccc([C@H](Br)c2c(Br)sc(Br)c2Cl)cc1 1923071158 HCLCIVAHRJQJFT-QMMMGPOBSA-N 463.391 6.550 50 10 JKGE Cl[C@H](c1c(Br)sc(Br)c1Br)C1[C@@H]2CCCC[C@@H]12 1924583214 HIXCGGZIMBMIKJ-DGAHNEANSA-N 463.460 6.752 50 10 JKGE CC(C)C[C@@H](C)[C@H](Br)c1c(Br)sc(Br)c1Br 1924614596 ZKZOOKBWRQRDJE-SVRRBLITSA-N 497.916 7.154 50 10 JKGE O=C(Nc1ccc(F)c(CCl)c1)c1cc(I)ccc1Br 1924909755 NTJULBDZCQKZBP-UHFFFAOYSA-N 468.491 5.184 50 10 JKGE FC(F)(F)c1ccccc1[C@H](Br)c1c(Cl)sc(Br)c1Cl 1925601584 WVQSOTVASWDHSU-QMMMGPOBSA-N 468.947 7.321 50 10 JKGE CCC(CC)([C@@H](Br)c1c(Cl)sc(Br)c1Cl)C(F)(F)F 1925621952 OUVCYLDKXZIMAM-ZETCQYMHSA-N 462.984 7.622 50 10 JKGE Cc1ccnc(C[C@H](CBr)Cc2ccccc2Br)c1Br 1926833944 PXUKIYKNWFGWBD-GFCCVEGCSA-N 462.023 5.711 50 10 JKGE Clc1cc([C@@H](Br)c2cc(Br)c(Br)s2)sc1Cl 1939433560 VKFYFAHRFYSQOQ-ZETCQYMHSA-N 485.875 7.126 50 10 JKGE C=C(CBr)c1cc(Br)cc(Br)c1NC(=O)OC(C)(C)C 1951448729 QCVYCVJYHODPJR-UHFFFAOYSA-N 469.999 5.967 50 10 JKGE CCCC(CBr)(CCC)CN(OCc1ccccc1)C1CN(C(=O)OC(C)(C)C)C1 1982826962 PUEGSOCPHWNQTL-UHFFFAOYSA-N 483.491 6.021 50 10 JKGE Cl[C@H](c1c(Br)sc(Br)c1Br)[C@]12C[C@H](CCO1)C2 2019933904 LDTBVKHMIGGTSS-MEQXXCBNSA-N 465.432 5.885 50 10 JKGE C[C@@H]1CCC[C@H](O[C@@]2(CI)CCCN(C(=O)OC(C)(C)C)C2)[C@@H]1C 2022946857 DOTHOVMYXNFUMV-OAFZBRQQSA-N 451.389 5.032 50 10 JKGE Fc1cc(Cl)c([C@H](Br)c2csc(I)c2)cc1Cl 2024603148 UNSNUAACICBXPB-LLVKDONJSA-N 465.940 6.283 50 10 JKGE Cc1cc(Br)c([C@H](Br)[C@@H]2C[C@@H]2C(F)(F)F)cc1Br 2039184635 DVRQAVNLMLZGTA-CDOJRTKCSA-N 450.918 6.154 50 10 JKGE Cc1cc(Cl)c([C@@H](Br)c2cc(Br)sc2Br)cc1Cl 2081589955 RQDLEDWXKKDAPN-LLVKDONJSA-N 493.873 7.373 50 10 JKGE Cc1sc(Br)c([C@H](Br)c2ccc(Br)cc2F)c1C 2082882906 CGCYLWJQHLSAIW-GFCCVEGCSA-N 457.000 6.513 50 10 JKGE Brc1cc([C@@H](Br)c2ncn3ccsc23)ccc1I 2083989370 DRNRIKRUAONDLM-SNVBAGLBSA-N 497.981 5.247 50 10 JKGE CCc1nn(-c2ccc(Br)cc2CBr)c(CC)c1Br 2093294648 LKVCBCNRPXRGMH-UHFFFAOYSA-N 451.000 5.417 50 10 JKGE Brc1cccc(Br)c1C[C@@H]1C[C@@H]2CCCC[C@@H]2[C@H]1Br 2095362354 JERIBSXAYIVUTD-YWDSYVAPSA-N 451.040 6.344 50 10 JKGE Brc1cc([C@@H](Br)C2CC3(C2)CC2(CCC2)C3)c(Br)s1 2100919764 GHMFSBPIWWCBSD-LBPRGKRZSA-N 469.080 7.070 50 10 JKGE O=C(Nc1c(Br)cc(Cl)cc1Br)[C@H](Br)C1CCCC1 2110724812 VBBDABHWZDLKOF-LLVKDONJSA-N 474.418 5.757 50 10 JKGE Cn1cc([C@H](Br)c2scc(C(F)(F)F)c2Br)c(Br)n1 2116555629 VFSPABOSYJRKLY-LURJTMIESA-N 482.945 5.510 50 10 JKGE Cc1c(Br)sc([C@H](Br)C2CC3(C2)CC32CCC2)c1Br 2127506097 WIQPYRUVTNFZPQ-QMJNDHNRSA-N 469.080 6.988 50 10 JKGE CO[C@@H]1C[C@@H]([C@@H](Br)c2c(Br)sc(Br)c2Cl)C12CCC2 2133849652 XXWAOVDWHTVFFK-LKEWCRSYSA-N 493.486 6.568 50 10 JKGE Cc1cc(Br)c(C)c([C@@H](Br)[C@]23C[C@H](CCO2)C3)c1Br 2136382876 VGIDLXJLRNDSOH-KMUNFCNLSA-N 453.012 5.834 50 10 JKGE COc1cc(Cl)c([C@H](Br)c2cc(C)sc2Br)cc1Br 2137662247 KGLJDAPJUUHZHK-LBPRGKRZSA-N 489.454 6.728 50 10 JKGE COc1ccc([C@@H](Br)c2ccccc2OCc2ccccc2)c(Cl)c1Cl 2138627157 FOZWZGHDRVEZMA-IBGZPJMESA-N 452.175 7.065 50 10 JKGE Cc1c(Br)cccc1COc1c(F)cc(Br)cc1CBr 2143690784 FOWCSZCAMJLETC-UHFFFAOYSA-N 466.970 6.133 50 10 JKGE COc1cc(Br)c(C)cc1[C@H](Br)c1cccc(Br)c1Cl 2145957495 PZNSHZDIWXDDMX-CQSZACIVSA-N 483.425 6.666 50 10 JKGE C[C@H](Cl)c1nc2cc(Br)cnc2n1[C@@H]1CCOC[C@H]1OCc1ccccc1 2146522740 NFIUCKGBVNVSJZ-MORSLUCNSA-N 450.764 5.040 50 10 JKGE CC(C)(C)OC(=O)NC1CC(C[S@@](C)(=O)=NCCCCCCCCCBr)C1 2172246713 JSHSYIIZNLBVFH-DIAWHCHDSA-N 467.514 5.513 50 10 JKGE C[C@H]1Cc2cc([C@@H](Cl)c3cc(Br)c(Cl)s3)cc(Br)c2O1 2172560670 SMGXZFBEOOSWJG-PWCHPLFNSA-N 457.014 6.578 50 10 JKGE CC(C)(C)[C@@H]1[C@H](Br)CCN1C(=O)c1cc(Br)ccc1Br 2185099662 JGXBTCSBBBKLPS-OLZOCXBDSA-N 468.027 5.236 50 10 JKGE Cc1cc(Br)c(CBr)c(N(C)[C@@H]2C[C@@H]3C[C@@H](OCc4ccccc4)C[C@H]32)c1 2190536164 CLHHHRKRJGVUIY-RTXPOLOASA-N 493.283 6.473 50 10 JKGE BrCc1ccc(Br)cc1OC[C@@H]1CC1(Br)Br 2210245391 MJGCCASSRCADLK-QMMMGPOBSA-N 477.816 5.229 50 10 JKGE CC(C)(C)OC(=O)N1CCCC[C@@H]1[C@@H]1CCCN(CCCCCI)C1 2220218053 SFACSSAIPQQYEZ-QZTJIDSGSA-N 464.432 5.093 50 10 JKGE Cl[C@H](c1c(Br)sc(Br)c1Br)C1C[C@H]2CCC[C@H](C1)C2 2225306584 UGWOHLQJGFLGRG-UBJUHAIHSA-N 491.514 7.532 50 10 JKGE CC(C)([C@@H]1CCCO1)[C@H](Br)c1cc(Br)c(Br)cc1F 2225616282 NTWQOZYNINDQSD-QWHCGFSZSA-N 458.991 5.992 50 10 JKGE COCc1cc(Br)c([C@H](Br)c2sc(C)c(Br)c2C)s1 2226076915 WIIHDDOABDLDIA-LLVKDONJSA-N 489.092 6.582 50 10 JKGE Clc1cc(Br)c([C@@H](Br)C2C[C@@H]3CC[C@H](C2)O3)c(Cl)c1Cl 2232510510 HGJGKVUKGLBXKQ-HWGFMYQCSA-N 463.424 6.803 50 10 JKGE Cc1cc(Br)c([C@@H](Cl)c2ccc(Cl)c(Br)c2)c(C)c1Cl 2232530954 WTYQUHABLIUVJK-HNNXBMFYSA-N 457.420 7.463 50 10 JKGE Fc1cc(Br)c(Br)cc1[C@H](Cl)c1c(F)cc(Br)cc1F 2233971606 WRZPKTRNMSHSOE-ZDUSSCGKSA-N 493.342 6.720 50 10 JKGE CC(C)(C)OC1CC([C@H](Br)c2cc(Br)c(Br)cc2F)C1 2233981052 CTDLAEPXJJELPN-CTCYHXBNSA-N 473.018 6.380 50 10 JKGE Cc1c(Br)sc([C@H](Br)[C@H]2CCC[C@H]2C(F)F)c1Br 2257872929 WMGZEPOSGGPZLI-LKEWCRSYSA-N 467.011 6.699 50 10 JKGE Clc1cc(Br)c([C@H](Cl)c2cocc2Br)c(Cl)c1Cl 2258147591 IXORAZKJISOPGE-SECBINFHSA-N 453.772 7.093 50 10 JKGE COc1c([C@H](Br)c2occc2Br)cc(Br)c(C)c1C 2269109004 HJKIJLINDPHJFI-LBPRGKRZSA-N 452.968 5.914 50 10 JKGE Brc1cocc1[C@@H](Br)c1cc2c(cc1Br)OCCO2 2270482968 FSFTTZWZGHDWBM-ZDUSSCGKSA-N 452.924 5.060 50 10 JKGE BrCc1cc(Br)c(OC[C@@]23CCC[C@@H]2CC3)c(Br)c1 2273502674 VLQDBJVNBMRVBL-ABAIWWIYSA-N 453.012 6.066 50 10 JKGE CC[C@H](C[C@H](Br)Cc1cc(Br)cc(Br)c1)C(C)(C)C 2277950342 VAYAPACQBZBHNQ-CHWSQXEVSA-N 455.072 6.980 50 10 JKGE COc1c([C@@H](Br)c2cn(C)nc2Br)cc(Br)c(C)c1C 2284526778 WPBBZIXBCJAMAJ-GFCCVEGCSA-N 466.999 5.055 50 10 JKGE COc1ccc([C@H](Cl)c2cc(Cl)c(C)cc2Br)cc1I 2285013789 UWWFUUHGFBDZNB-HNNXBMFYSA-N 485.974 6.352 50 10 JKGE Fc1cc(Cl)c([C@@H](Br)Cc2cc(Cl)cc(Cl)c2)cc1Br 2285959061 OMUPPVAGYDEKTG-NSHDSACASA-N 461.383 7.227 50 10 JKGE Cc1c([C@H](Cl)c2c(F)cc(Br)c(F)c2Br)c(Br)nn1C 2288359952 SOORUSXGHXPSEY-JTQLQIEISA-N 493.371 5.622 50 10 JKGE Clc1cc(CBr)cc(Cl)c1OCc1cccc(Br)c1Cl 2296310154 FWZUKSQHPBPOGM-UHFFFAOYSA-N 459.392 6.883 50 10 JKGE Cc1ccccc1C[C@@H]1SC(=C(C#N)C(=O)NCc2ccccc2)N(c2ccc(Cl)cc2)C1=O 2296834941 FFONBSFQDNWJHT-DEOSSOPVSA-N 488.012 5.391 50 10 JKGE COc1cc(C=C(C#N)C(=O)Nc2ccc(Br)cc2F)ccc1OCc1ccccc1 2297551573 SBWWJEQTXAJLMQ-UHFFFAOYSA-N 481.321 5.721 50 10 JKGE FC1CCC([C@@H](Br)c2cc(Br)ccc2OCc2ccccc2)CC1 2299504380 MSIXAKMZLWZZEM-MKJPBZQASA-N 456.193 6.992 50 10 JKGE CC[C@@](C)(C(F)F)[C@H](Br)c1cc(Br)ccc1OCc1ccccc1 2299825850 PNYAXTUELGQCQF-IEBWSBKVSA-N 462.172 7.146 50 10 JKGE Fc1cc(Br)c(Br)cc1[C@@H](Cl)c1cnsc1Br 2300281209 AHZBRVQMOCKAHM-SECBINFHSA-N 464.379 5.898 50 10 JKGE C[C@@H]1CC[C@H](Cc2ccc(I)c(Br)c2)C[C@H]1Br 2306199154 JGDMYNTXJHLITL-CKYFFXLPSA-N 472.002 5.796 50 10 JKGE N#CC(=Cc1ccc(-c2ccc(C(=O)O)cc2)o1)C(=O)Nc1ccc(Cl)c(C(F)(F)F)c1 2314489001 QDEIECVRXWSBDL-UHFFFAOYSA-N 460.795 5.863 50 10 JKGE COc1ccc(N2C(=O)[C@@H](Cc3ccc(C)cc3)SC2=C(C#N)C(=O)Nc2ccccc2)cc1 2314591822 FOXZQROMHUATGK-XMMPIXPASA-N 469.566 5.069 50 10 JKGE CC1=C(C#N)C(=O)N(CCCOC(C)C)C(=O)C1=Cc1ccc(-c2ccc(Cl)cc2Cl)o1 2314617937 DJAMHPIMYHBOAH-UHFFFAOYSA-N 473.356 5.661 50 10 JKGE Cc1ccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)C=Cc4ccc(C(C)(C)C)cc4)ccc32)cc1 2314634245 MPIOMULAOMKZEF-NDEPHWFRSA-N 464.565 6.130 50 10 JKGE CC[C@]1(C)[C@H](Br)CCN1C(=O)c1csc(Br)c1Br 2315146148 GYVVTZYJMIFSPC-PRHODGIISA-N 460.029 5.051 50 10 JKGE CC(C)(C1CC1)[C@H](Br)c1c(Cl)cc(Br)c(F)c1Br 2315439475 FSSNTJGXTFOCGL-GFCCVEGCSA-N 463.410 6.876 50 10 JKGE COc1ccc(Cl)cc1[C@H](Br)c1sc(Cl)cc1I 2316599966 YWTBEMKDYJFKPD-NSHDSACASA-N 477.976 6.152 50 10 JKGE ClC[C@H](Cc1cccc(Br)c1)Cc1sccc1I 2316666351 MMCAOHYPWZGXCM-LLVKDONJSA-N 455.586 5.755 50 10 JKGE ClCc1ccc(Cl)cc1Oc1cc(Br)cc(I)c1 2316759787 NKTWBSSAGAHQLA-UHFFFAOYSA-N 457.920 6.238 50 10 JKGE Cc1cc(Br)c(F)c(Br)c1[C@H](Cl)c1ccoc1Br 2317397764 GBZRGCMRESOMGR-SNVBAGLBSA-N 461.350 6.343 50 10 JKGE CC(C)(C)OC(=O)N1CCC[C@@](CI)(OCC2CCCCCCC2)C1 2319886643 DEUHIIOJMJKZST-FQEVSTJZSA-N 465.416 5.568 50 10 JKGE Cc1nc(-c2ccc(Cl)c(Cl)c2)ccc1C(=O)NN=Cc1ccc(C(F)(F)F)cc1 2321248654 HZVLMQDOPTZLOL-UHFFFAOYSA-N 452.263 6.147 50 10 JKGE ClC[C@H](NCc1ccc(I)c(Br)c1)c1ccsc1 2325205368 WXQOWWXCTOTKAQ-ZDUSSCGKSA-N 456.574 5.185 50 10 JKGE CCCCc1ccc(N2C[C@H](C(O)=C(C#N)c3nc(-c4ccc(OC)c(C)c4)cs3)CC2=O)cc1 2331259346 RXUASGWUVNGGIP-OAQYLSRUSA-N 487.625 6.316 50 10 JKGE Cc1cc(-c2csc(C(C#N)=C(O)CCCN3C(=O)c4cccc([N+](=O)[O-])c4C3=O)n2)ccc1F 2331322540 JNVADQTVAONOKX-UHFFFAOYSA-N 492.488 5.035 50 10 JKGE COc1ccc(C(C)(C)C)cc1-c1csc(C(C#N)=C(O)c2cc([N+](=O)[O-])ccc2Cl)n1 2331351441 VFKXSYSNRYHGRM-UHFFFAOYSA-N 469.950 6.628 50 10 JKGE COc1c(C)cc(Cl)cc1-c1csc(C(C#N)=C(O)COc2c(C)ccc(C)c2C)n1 2331392363 WCXIQPDULUAROL-UHFFFAOYSA-N 454.979 6.577 50 10 JKGE COc1cc(-c2csc(C(C#N)=Cc3cc4c(cc3[N+](=O)[O-])OCCO4)n2)c(OC)cc1Cl 2331471826 KDAIMVQZJVOOSY-UHFFFAOYSA-N 485.905 5.224 50 10 JKGE COc1cc(Cl)c(C)cc1-c1csc(C(C#N)=Cc2cc3c(cc2[N+](=O)[O-])OCCO3)n1 2331474721 FYIUANNVFIJDLC-UHFFFAOYSA-N 469.906 5.524 50 10 JKGE COC(=O)c1c(NC(=O)C(=Cc2ccc(OC)cc2)c2ccccc2)sc(C(C)=CC#N)c1C 2331560244 KBJUAOQRVWUZTQ-UHFFFAOYSA-N 472.566 5.958 50 10 JKGE Fc1cc(Br)c(Br)cc1[C@@H](Br)C[C@@H]1CCC[C@@H]2C[C@H]12 2333605550 PMBUCYILNOOUPM-WDCWCFNPSA-N 455.003 6.613 50 10 JKGE Brc1cccc(Br)c1CN1C[C@H]2CC(Br)C[C@@H](C2)C1 2338868648 DEVJAONGZRGPIF-GHMZBOCLSA-N 452.028 5.207 50 10 JKGE COc1c(Br)cc(C)c([C@H](Br)c2occc2C)c1Br 2339690309 SXHVLGQKTGEJOL-NSHDSACASA-N 452.968 5.914 50 10 JKGE FC1(F)CC[C@@H](Br)[C@@H](Cc2ccc(Cl)cc2I)CC1 2341027603 LZFZYSYBZOGBHA-BXKDBHETSA-N 463.531 6.076 50 10 JKGE Fc1cccc([C@H](Cl)CCc2ccc(I)c(Br)c2)c1 2349832461 CWTUVMPKDVRQIC-CQSZACIVSA-N 453.520 6.106 50 10 JKGE ClCc1cc(Br)cnc1OCc1cc(I)ccc1Cl 2352268175 POIWSHVPARVMHT-UHFFFAOYSA-N 472.935 5.420 50 10 JKGE CC[C@@](CBr)(Cc1ccc(Cl)c(I)c1)c1ccccc1 2362380908 USDGBEUHDZWDHO-KRWDZBQOSA-N 463.584 6.230 50 10 JKGE CCCc1sc(Br)cc1[C@H](Br)c1cc(C)c(Br)c(C)c1 2363254015 MASGKGWQLPHOLT-MRXNPFEDSA-N 481.091 7.327 50 10 JKGE Cc1cc(Br)c(F)c(Br)c1[C@H](Br)C[C@@H]1C[C@H]2CC[C@H]1C2 2365179137 NHDMSRSTXSKJRM-FIQHERPVSA-N 469.030 6.921 50 10 JKGE COc1c(Br)cc(C)c([C@H](Br)[C@H]2[C@H]3OCCC[C@@H]32)c1Br 2365194397 QMUVXRCQDYKTTO-JRQIVUDYSA-N 469.011 5.390 50 10 JKGE Cc1ccccc1C[C@@H](CBr)Cc1ccc(Cl)cc1I 2366711881 KJGSUEGDXHJESC-CYBMUJFWSA-N 463.584 6.049 50 10 JKGE Cl[C@@H]1Cc2ccccc2[C@@H]1NCc1ccc(I)c(Br)c1 2377313703 DLFSBYLZYBSWKU-ZBFHGGJFSA-N 462.556 5.048 50 10 JKGE Fc1ccc(OCc2ccc(I)c(Br)c2)c(CCl)c1Cl 2377642082 NHKUNWAXCKAWHM-UHFFFAOYSA-N 489.937 6.164 50 10 JKGE N#C/C(=C/c1cn(-c2ccccc2)nc1-c1cc2ccccc2o1)C(=O)Nc1ccc2c(c1)OCCO2 3329095 JCOUDHYYUCLLHF-ZHZULCJRSA-N 488.503 5.602 50 10 JKGE CCCCC(=O)Nc1ccc(C(=O)NNC(=O)[C@@H](CC)Oc2ccc(-c3ccccc3)cc2)cc1 14768890 ALHGMGPKRYJZAQ-RUZDIDTESA-N 473.573 5.101 50 10 JKGE COc1ccc(/C(C#N)=C\c2ccc(OC(=O)c3cccc(Br)c3)c(OC)c2)cc1 31902223 UPRAHIFEMVLOGQ-UNOMPAQXSA-N 464.315 5.750 50 10 JKGE COc1cc(/C=C(/C#N)c2nc3cc(C)c(C)cc3[nH]2)ccc1OCc1ccc([N+](=O)[O-])cc1 33477657 AGAPABPRIOERJL-NDENLUEZSA-N 454.486 5.740 50 10 JKGE COc1cc(/C=C(/C#N)c2nc(-c3ccc(Cl)cc3)cs2)ccc1OCc1ccccc1 33733318 IZEMNBYHRJQZGW-BKUYFWCQSA-N 458.970 7.115 50 10 JKGE Cc1ccc(Cc2cnc(NC(=O)/C(C#N)=C\c3ccc(Cl)cc3Cl)s2)cc1Cl 35335006 ZGMFRAQSMORCSW-NVNXTCNLSA-N 462.789 6.548 50 10 JKGE CC(C)CCC[C@@H](C)[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@@]21C 36446285 XOLVVFSHDULKRS-RGRSVEPJSA-N 477.173 8.567 50 10 JKGE CCOc1cccc(C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@H]3c2cccc(Br)c2)c1 38651530 ABNVUUFSQNXBEC-QHCPKHFHSA-N 491.341 5.285 50 10 JKGE CC(C)(C)c1ccc(C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@@H]3c2ccc(Cl)c(Cl)c2)cc1 38655668 HAXZPCNOHPBTIO-XMMPIXPASA-N 493.390 6.728 50 10 JKGE Cc1c(C(=O)Nc2ccccc2C(F)(F)F)oc2c1/C(=N/NC(=O)c1ccccc1)CCC2 40804084 YWHQUZIXIFJLFI-RDRPBHBLSA-N 455.436 5.330 50 10 JKGE CC(C)c1ccc(/C=N/NC(=O)CCCOc2ccc(C(C)(C)C)cc2Br)cc1 40951404 NJLAEKFIGOCACA-WGOQTCKBSA-N 459.428 6.179 50 10 JKGE CC(=O)c1ccc(-c2ccc(/C=N/NC(=O)c3ccc(-n4c(C)ccc4-c4ccccc4)cc3)o2)cc1 59304475 KWVALBBVTJHINH-UZWMFBFFSA-N 487.559 6.679 50 10 JKGE Cc1ccc(-c2ccccc2)n1-c1ccc(C(=O)N/N=C/c2ccc(Br)cc2)cc1 59680441 JOGGFUSWNWCKCT-WPWMEQJKSA-N 458.359 5.979 50 10 JKGE Cc1ccccc1NC(=O)/C(C#N)=C1/S[C@H](Cc2ccc(Cl)cc2)C(=O)N1c1ccccc1 102665891 GAQVJLPLNWHLTF-QPSWJSTDSA-N 473.985 5.713 50 10 JKGE CCOc1ccccc1N/C(SCc1cc(F)ccc1F)=C(\C#N)C(=O)NCc1ccccc1 105423147 MQUCEDCNVOMKAK-QLYXXIJNSA-N 479.552 5.760 50 10 JKGE FC(F)(F)c1ccc(Br)c([C@H](Br)Cc2ccc(Br)cc2)c1 159875825 NKXPZTZMVKMQMD-CQSZACIVSA-N 486.951 6.909 50 10 JKGE C[C@H]([C@@H]1CCC[C@@H]1P(c1ccccc1)c1ccccc1)P(c1ccccc1)c1ccccc1 203123176 YKWKRSUMPSPUSZ-IUNZSJPTSA-N 466.545 6.809 50 10 JKGE CCCOc1ccc([C@@H](Br)c2cc(F)ccc2Br)cc1Br 229004952 DQZBRQKOOPOWLC-MRXNPFEDSA-N 480.997 6.624 50 10 JKGE CCCOc1ccc([C@@H](Br)c2cccc(F)c2Br)cc1Br 229006911 PRELMNAVHGGTIT-OAHLLOKOSA-N 480.997 6.624 50 10 JKGE COCCOc1ccc([C@@H](Cl)c2cc(C)c(Br)s2)cc1Br 229011140 CMHOYHRDPKSFAN-CQSZACIVSA-N 454.611 5.935 50 10 JKGE CC(C)n1ccc(COc2c(Br)cc(CBr)cc2Br)n1 232802403 YXUVRXFTYHVUDK-UHFFFAOYSA-N 466.999 5.463 50 10 JKGE COc1ccc(Br)cc1[C@H](Cl)c1cccc(C)c1I 234818267 NOPOJJQWIOLMKI-CQSZACIVSA-N 451.529 5.699 50 10 JKGE Clc1ccc(I)c([C@@H](Br)c2csc3ccccc23)c1 236083953 ZZZVCBKEOJREIT-OAHLLOKOSA-N 463.565 6.644 50 10 JKGE 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@@]12C 254341173 IZWHBFBYKQEQAB-FLMASOHASA-N 467.576 7.842 50 10 JKGE COc1ccc(-c2nnc(SCC(=O)NN=C/C=C/c3ccccc3)n2-c2ccc(C)cc2)cc1 254347571 JCWHWEZMJBYAOM-YZBVLJPJSA-N 483.597 5.159 50 10 JKGE O=C(NN=Cc1ccc(OC(=O)c2ccccc2)cc1OC(=O)c1ccccc1)c1ccc(F)cc1 254381644 USZAYWDVSWGPGN-UHFFFAOYSA-N 482.467 5.028 50 10 JKGE CCCOc1ccc(C=NNC(=O)CSc2nnc(SCc3ccc(C)cc3)s2)cc1 254706089 IYVSOQJUBUTAPZ-UHFFFAOYSA-N 472.661 5.170 50 10 JKGE 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@@]12C 254878910 FAKDDMAOMPFPIR-HWLOJTMOSA-N 499.607 8.823 50 10 JKGE Brc1ccc([C@@H](Br)c2cc(I)cc3c2OCC3)o1 302511879 NEYMFYNVKVLAOW-LBPRGKRZSA-N 483.925 5.066 50 10 JKGE CC(C)(C)OC(=O)N1CCC(CI)(OCc2ccc(Cl)cc2)CC1 303742315 ZHZCTCDPWRWOHW-UHFFFAOYSA-N 465.759 5.061 50 10 JKGE CCOc1cc(Cl)c([C@H](Br)c2sccc2I)cc1Cl 311407535 HQPWWZRKJBKGLQ-LBPRGKRZSA-N 492.003 6.543 50 10 JKGE Cc1ccc(Br)c([C@H](Br)c2scc(C(F)(F)F)c2Br)c1 312225502 AAFNXIAXLKZAOP-JTQLQIEISA-N 492.980 7.085 50 10 JKGE O=C(OCc1ccccc1)N1C[C@H](c2ccc(F)c(Br)c2)[C@@H](CBr)C1 382739782 YWYMVYINOKSZHX-JKSUJKDBSA-N 471.164 5.335 50 10 JKGE Cc1cc([C@H](Cl)c2cc(I)cc3c2OCC3)ccc1Br 394405431 LRCUJZOONCUYKU-HNNXBMFYSA-N 463.540 5.625 50 10 JKGE Clc1sc([C@@H](Br)c2ccsc2Br)cc1Br 705141489 ZRRNSRANWBZHNK-ZETCQYMHSA-N 451.430 6.472 50 10 JKGE O=C(N[C@@H](CBr)C1CCCCC1)c1scc(Br)c1Br 705437422 GWRGTJRDTXAKOE-JTQLQIEISA-N 474.056 5.347 50 10 JKGE CC1(C)C[C@@H]([C@@H](Br)c2cc(Br)sc2Br)C(C)(C)O1 710058776 QUJOCCZQIZIPMN-WPRPVWTQSA-N 461.057 6.303 50 10 JKGE CCOc1cc(/C=C(\C#N)C(=O)Nc2ccccc2)ccc1OCc1ccc(Br)cc1 1084138935 ZYDSYCOKLMOJOQ-XSFVSMFZSA-N 477.358 5.972 50 10 JKGE Cc1ccc(CSCC(=O)NN=Cc2c(Br)c(C)n(-c3ccccc3)c2C)cc1 1084343747 DWOHYLOSRKPLST-UHFFFAOYSA-N 470.436 5.549 50 10 JKGE CC(=NNC(=O)CSCc1ccc(C)cc1)c1cccc(NC(=O)c2cccc(Cl)c2)c1 1084560055 YSCNAOGWXCRAGV-UHFFFAOYSA-N 466.006 5.674 50 10 JKGE COc1cc(C=NNC(=O)c2cc3ccccc3o2)cc(Cl)c1OCc1cccc([N+](=O)[O-])c1 1084615419 SHPJVLUHBNMGNY-UHFFFAOYSA-N 479.876 5.346 50 10 JKGE Cc1nn(-c2ccccc2)c2c1C(=NNC(=O)c1ccc(Br)cc1)CC(C)(C)C2 1772728761 YBZHGSKLIOQDRN-UHFFFAOYSA-N 451.368 5.050 50 10 JKGE COc1cc(C=NNC(=O)COc2ccc(C(C)(C)C)cc2)ccc1OCc1ccccc1C 1772753791 IYHULUIOCOIIQJ-UHFFFAOYSA-N 460.574 5.409 50 10 JKGE Cc1ccc(SCC(=O)NN=Cc2cc(Br)ccc2OCc2ccccc2)cc1 1772756376 WHUUSCZAHNNDFG-UHFFFAOYSA-N 469.404 5.579 50 10 JKGE CCCc1nn(-c2cccc3ccccc23)c2c1[C@@H](c1ccc(C(C)(C)C)cc1)C(C#N)=C(N)O2 1865682473 PIWGSHZYGQTSGF-SANMLTNESA-N 462.597 6.494 50 10 JKGE N#CC1=C(N)Oc2c(c(C(F)(F)F)nn2Cc2ccc(Cl)cc2)[C@H]1c1cccc(Cl)c1 1865683026 DEHYJJFMDYHJLL-INIZCTEOSA-N 465.262 5.475 50 10 JKGE CCOc1ccc([C@@H]2C(C#N)=C(N)Oc3c2c(CC)nn3-c2ccc(Cl)c(Cl)c2)cc1OCC 1865689422 RTKRCMQTPYEYSO-JOCHJYFZSA-N 499.398 5.757 50 10 JKGE CCc1nn(Cc2cccc(F)c2)c2c1[C@H](c1ccc(OCc3ccccc3)cc1)C(C#N)=C(N)O2 1865690662 YHOXGHOCOXAYOA-AREMUKBSSA-N 480.543 5.430 50 10 JKGE CCCn1nc(-c2ccccc2)c2c1OC(N)=C(C#N)[C@H]2c1ccc(OCc2ccccc2C)cc1 1865702442 ALHMPMDUHOKGCT-AREMUKBSSA-N 476.580 6.066 50 10 JKGE CCCc1nn(-c2cccc3ccccc23)c2c1[C@@H](c1ccccc1OC(C)C)C(C#N)=C(N)O2 1865705355 SYNCZQUZGAESOY-SANMLTNESA-N 464.569 5.983 50 10 JKGE CCN(Cc1ccccc1)c1ccc([C@H]2C(C#N)=C(N)Oc3c2c(C)nn3Cc2cccc(F)c2)cc1 1865707021 MCIAMWLFOZATMF-NDEPHWFRSA-N 493.586 5.624 50 10 JKGE C[C@H](c1ccccc1)N1C[C@@H](/C(O)=C(\C#N)c2nc(-c3ccc4c(c3)CCCC4)cs2)CC1=O 1872745159 CKBQUROXNDDAGC-WILWEFTBSA-N 469.610 6.091 50 10 JKGE N#C/C(=C(/O)Cc1ccc(Cl)c(Cl)c1)c1nc(-c2ccc(Br)cc2)cs1 1872746674 SCXUWWQSAVIXEW-JXAWBTAJSA-N 466.187 6.915 50 10 JKGE CCCCc1ccc(N2C[C@@H](/C(O)=C(\C#N)c3nc(-c4ccc(C(C)C)cc4)cs3)CC2=O)cc1 1872751765 FHNYASJLVDIKDD-VBFPUSJLSA-N 485.653 7.122 50 10 JKGE N#C/C(=C(O)\C=C\c1ccc(OCc2ccccc2)cc1)c1nc(-c2ccc(F)cc2)cs1 1872753349 SPZFSZRBJPNPFH-PLRMCZRGSA-N 454.526 7.034 50 10 JKGE CCCCC1CCC(/C(O)=C(\C#N)c2nc(-c3ccc(Oc4ccccc4)cc3)cs2)CC1 1872753745 KYVSBNUJBWTLMD-RFBIWTDZSA-N 458.627 8.392 50 10 JKGE COc1c(C)cc(Cl)cc1-c1csc(/C(C#N)=C(\O)Cc2ccc(Br)cc2)n1 1872756953 JIXCXRGSIVQWOZ-ZPHPHTNESA-N 475.795 6.578 50 10 JKGE N#C/C(=C\c1cc(Br)ccc1O)c1nc(-c2ccc(Cl)cc2Cl)cs1 1872781403 DKTHVQLHNMAECG-VZUCSPMQSA-N 452.160 6.649 50 10 JKGE COc1ccc(-c2csc(/C(C#N)=C/c3ccc(OCc4ccccc4)cc3)n2)cc1Cl 1872794649 OAHMBJZGARMIEK-FYJGNVAPSA-N 458.970 7.115 50 10 JKGE BrCc1cc(Br)c(OC[C@H]2C[C@@H]3CC[C@@H]3C2)c(Br)c1 1885973727 CKWYZCQVDDUVIL-CNDDSTCGSA-N 453.012 5.922 50 10 JKGE C[C@]1(C(F)(F)F)C[C@@H]1[C@@H](Br)c1cc(Br)c(Br)s1 1906301346 JCQLGBFMLMWMSR-MSVFPHSYSA-N 456.947 6.298 50 10 JKGE Cc1cc([C@H](Cl)c2cc(I)cc3c2OCC3)oc1Br 1917605823 IQRSSYVQZWDAEV-GFCCVEGCSA-N 453.501 5.218 50 10 JKGE Cc1c(Br)sc([C@@H](Br)[C@@H]2CC[C@H]3C[C@@H]2CO3)c1Br 1922928684 BOEVEFBIICGQMD-LOKLDPHHSA-N 459.041 5.833 50 10 JKGE Cc1c(Br)sc([C@@H](Br)CC[C@@H]2CCCCO2)c1Br 1922955503 ZTLAWZGDVUALOD-UWVGGRQHSA-N 461.057 6.367 50 10 JKGE CC(C)(C)C(C)(C)[C@H](Br)c1c(Br)sc(Br)c1Cl 1923050694 YNUHCMBIDSECOJ-MRVPVSSYSA-N 467.492 7.435 50 10 JKGE COC1(C[C@H](Cl)c2c(Br)sc(Br)c2Br)CCC1 1924583360 JDXFNNOGUFVFBC-LURJTMIESA-N 467.448 6.275 50 10 JKGE FC(F)(F)C1([C@@H](Cl)c2c(Br)sc(Br)c2Br)CCC1 1924615044 VOZNYZKGFBCWGM-LURJTMIESA-N 491.392 7.048 50 10 JKGE Clc1c(Br)ccc(CBr)c1N(Cc1ccccc1)C1CCCCC1 1948740119 PAUKDSZBAYVRJE-UHFFFAOYSA-N 471.664 7.337 50 10 JKGE Cc1cccc(Br)c1[C@H](Br)c1sc(Cl)cc1Br 1948827988 GIEWZODJYMKFPB-NSHDSACASA-N 459.428 6.719 50 10 JKGE FC(F)(F)[C@@H]1C[C@H]1[C@@H](Cl)c1c(Br)sc(Br)c1Br 1950756897 DEAHHGSHRWFRED-ULKCASBJSA-N 477.365 6.514 50 10 JKGE Clc1cc([C@@H](Cl)c2ccc(Br)cc2I)c(Cl)s1 2026222074 TUOQERVQCZGOAN-JTQLQIEISA-N 482.395 6.750 50 10 JKGE Clc1cc(CC(CBr)(CBr)C2CC2)ccc1I 2026566014 GUYNNCBGHOLXSJ-UHFFFAOYSA-N 492.420 5.673 50 10 JKGE CCc1cc(Br)c([C@@H](Br)c2ccc(Br)cc2Cl)s1 2029232474 IYHHOQBKJSKKSW-LBPRGKRZSA-N 473.455 6.973 50 10 JKGE Cn1nc([C@H](Br)c2cc(Cl)c(Br)cc2F)cc1Br 2033076432 UEHSIGDHMYZULZ-LLVKDONJSA-N 461.354 5.222 50 10 JKGE Cc1c(Br)sc([C@@H](Br)C2CC(C3CCC3)C2)c1Br 2056678325 XZYWVPUGBOLECI-CBINBANVSA-N 457.069 6.844 50 10 JKGE FC(F)(F)c1ccc(Cn2nc(C3CCC3)cc2CBr)c(Br)c1 2070025622 LSHSCRMCQBIAOP-UHFFFAOYSA-N 452.112 5.875 50 10 JKGE Fc1cc(Br)c([C@H](Br)c2sncc2Br)c(F)c1Cl 2081840498 HNTLMJWZNATZRT-ZETCQYMHSA-N 482.369 6.084 50 10 JKGE Brc1cccc([C@@H](Br)c2cc3sccc3s2)c1Br 2084764999 PLAVHBZOCDHGID-CYBMUJFWSA-N 467.045 6.972 50 10 JKGE Cc1cc([C@H](Br)Cc2cccc(Br)c2)ccc1I 2086023151 LDSWIHOXMZZVBX-CQSZACIVSA-N 479.981 6.041 50 10 JKGE Brc1cc([C@H](Br)c2ccc3c(c2)COCC3)c(Br)s1 2096423627 SWKPQAGRZUCGDW-CYBMUJFWSA-N 467.020 5.830 50 10 JKGE Cc1cc(Br)c(CBr)c(N2CCN(Cc3ccccc3)[C@@H](C(C)C)C2)c1 2116837568 YLOAVHOYPBRLMM-JOCHJYFZSA-N 480.288 5.999 50 10 JKGE CCn1cc(Br)c([C@@H](Br)[C@H](C)c2ccncc2Br)n1 2124763976 HANZKYMRQVVJRY-PELKAZGASA-N 451.988 5.063 50 10 JKGE Cc1cc(Br)c(C)c([C@H](Br)c2cnc(Cl)n2C)c1Br 2136367391 QJCHRFXVJTUKOV-GFCCVEGCSA-N 471.418 5.700 50 10 JKGE Cc1c(Br)ccc([C@@H](Br)c2ccc(Cl)c(F)c2)c1Br 2138848333 ANYFCKQZANCZQN-AWEZNQCLSA-N 471.389 6.797 50 10 JKGE Clc1cc(CN2C[C@@H](Br)C3(CCCC3)C2)ccc1I 2142949747 MDQFRJOHVUDLSN-CQSZACIVSA-N 454.577 5.084 50 10 JKGE Cc1ccc(C[C@H](CBr)Cc2ccc(Br)cc2Br)cc1 2148682922 RDLUWVLKADZJEI-AWEZNQCLSA-N 461.035 6.316 50 10 JKGE COc1cc(Cl)c([C@@H](Cl)c2cccc(Br)c2Br)cc1Cl 2148750026 JZNBXMPBCCMKBW-AWEZNQCLSA-N 459.392 6.855 50 10 JKGE CCn1ncc(Br)c1[C@H](Br)c1c(C)cc(C)c(Br)c1C 2150666050 BAAJNNMGOXPWCH-CQSZACIVSA-N 465.027 5.838 50 10 JKGE O=C(c1cc(Br)sc1Br)N1CCC2(CCC2)[C@H](CBr)C1 2151650071 DFDRQHZROATMFH-SECBINFHSA-N 486.067 5.300 50 10 JKGE Clc1c(Br)sc(Br)c1[C@H](Cl)[C@@H]1CC2(CCCCC2)CO1 2166261273 OLLREXNFAWXMAB-WCBMZHEXSA-N 463.062 6.946 50 10 JKGE CN(C(=O)c1ccc(I)c(Br)c1)[C@H]1CCCCC[C@H]1Cl 2172541521 YDEJSGVJLVTSOI-OCCSQVGLSA-N 470.576 5.066 50 10 JKGE Cc1cc(Br)c(CBr)c(Oc2cc(Cl)c(Cl)cc2Cl)c1 2173450667 RCHQACZJKKQTOX-UHFFFAOYSA-N 459.392 7.405 50 10 JKGE Cc1cc(Br)c(C)c([C@H](Br)c2cc(F)cc(F)c2)c1Br 2201068004 CCSBMYSKFZRYKR-OAHLLOKOSA-N 468.961 6.591 50 10 JKGE CCC[C@H]1CN(C(=O)c2cc(Br)cc(Br)c2)C[C@H]1CBr 2205704162 PVLLJGPJOIOLFW-CMPLNLGQSA-N 468.027 5.095 50 10 JKGE FC(F)CCC[C@H](Br)c1c(Br)sc(Br)c1Cl 2212202124 FDSLCCNQWFKVLV-BYPYZUCNSA-N 461.391 6.798 50 10 JKGE C[C@@H]1CCC[C@H]([C@@H](Br)c2cc(Br)c(Br)cc2F)CC1 2225615729 KUEMSCQRJDBHPF-HFBDOXOYSA-N 457.019 7.003 50 10 JKGE Fc1cc(Br)c(Br)cc1[C@@H](Br)C1CC2(CCCO2)C1 2225620283 SOGCTWDOPABSNN-KQZUMFKRSA-N 456.975 5.746 50 10 JKGE COc1c(Cl)cc(Br)cc1[C@H](Cl)c1sc(C)c(Br)c1C 2234465154 UCFHWZRDXPVYBG-LBPRGKRZSA-N 459.030 6.880 50 10 JKGE COc1cc(Br)c([C@H](Br)c2c(Br)sc(C)c2C)cc1C 2236024781 ORRBVWGGPOLERS-AWEZNQCLSA-N 483.063 6.691 50 10 JKGE Cc1sc([C@@H](Br)c2csc3c(Br)cccc23)c(Br)c1C 2237628910 BRCMUFGVQLQTDP-ZDUSSCGKSA-N 495.099 7.589 50 10 JKGE Cc1sc([C@@H](Br)c2cc(I)sn2)c(Br)c1C 2242649312 URPCBBJKKSGDDG-VIFPVBQESA-N 493.027 5.673 50 10 JKGE FC1(F)C[C@@H]([C@@H](Br)c2cc(Br)sc2Br)C12CCC2 2254867382 PINAKTHDIMGVOH-CBAPKCEASA-N 464.995 6.535 50 10 JKGE CN(CCN(Cc1ccccc1)Cc1csc(-c2nc(CCl)cs2)n1)Cc1ccccc1 2258718647 RPXOWUALWRRWJI-UHFFFAOYSA-N 483.106 6.140 50 10 JKGE C[C@@H](c1ccncc1Br)[C@H](Br)c1c(F)cccc1I 2267731402 HGBXUUSJRMFJAK-RTHLEPHNSA-N 498.959 5.828 50 10 JKGE Brc1cocc1[C@H](Br)c1cc(Br)c2c(c1)CCCO2 2270489355 MFOAYMYHVLYFIU-CYBMUJFWSA-N 450.952 5.614 50 10 JKGE FC1CC2(C1)CC([C@@H](Br)c1cc(I)cc3c1OCC3)C2 2287848544 HPCAWECHJONYRV-RAGRTDQJSA-N 451.117 5.190 50 10 JKGE Fc1cc([C@@H](Cl)c2c(F)cc(Br)c(F)c2Br)ccc1Br 2288358727 WYDCMYCUZTZDGI-GFCCVEGCSA-N 493.342 6.720 50 10 JKGE COc1cc([C@H](Cl)Cc2cc(Br)cc(Br)c2)ccc1Br 2295332786 BEPZEZAFIXWMBX-CQSZACIVSA-N 483.425 6.505 50 10 JKGE CCC(CC)([C@H](Br)Cc1cc(Br)cc(Br)c1)C(F)(F)F 2295345529 NFIQVPZKSNKXQC-GFCCVEGCSA-N 480.988 6.886 50 10 JKGE C=CCOc1ccc(-c2nn(-c3ccccc3)cc2C=C(C#N)C(=O)Nc2cccc(OC)c2)c(C)c1 2296720237 CSKMYFPUZFEDGU-UHFFFAOYSA-N 490.563 5.967 50 10 JKGE CCOC(=O)C(C#N)=C1S[C@H](Cc2ccc(Cl)c(Cl)c2)C(=O)N1c1ccc(F)cc1 2296835049 RXSDVIRMXYPBNU-GOSISDBHSA-N 465.333 5.122 50 10 JKGE CCOc1cc(C=C(C#N)c2nc3ccccc3s2)ccc1Oc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] 2297278803 NMNSPDHKFNDTEQ-UHFFFAOYSA-N 488.481 6.368 50 10 JKGE Cc1cc(C=C(C#N)C(=O)Nc2ccc(F)cc2)c(C)n1-c1ccc(N2CCCCC2)c([N+](=O)[O-])c1 2297458328 QSKYGPCEKLNGLQ-UHFFFAOYSA-N 487.535 5.677 50 10 JKGE Cc1ccc(NC(=O)C(C#N)=Cc2cc(Br)ccc2OCc2cccc(F)c2)cc1 2313571011 LHSQHSOGYZIGMZ-UHFFFAOYSA-N 465.322 6.021 50 10 JKGE Cc1ccc(COc2ccc(Br)cc2C=C(C#N)C(=O)Nc2ccc(C)cc2C)cc1 2313667036 DEXSJIILHWPVIV-UHFFFAOYSA-N 475.386 6.499 50 10 JKGE N#CC(=Cc1cn(-c2ccccc2)nc1-c1cccc2ccccc12)c1nc(O)c2cc(Cl)ccc2n1 2314489838 TYHKWGBWCKHWHT-UHFFFAOYSA-N 499.961 7.059 50 10 JKGE CCn1cc([C@@H](Cl)c2ccc(OCc3ccccc3)cc2Br)nc1Br 2314499398 CEJYRBKSRGZELY-SFHVURJKSA-N 484.619 6.335 50 10 JKGE CCc1ccc(C[C@@H]2SC(=C(C#N)C(=O)Nc3ccc(C)cc3)N(c3ccc(C)c(C)c3)C2=O)cc1 2314591691 BJFMFRJJUOJYQW-MHZLTWQESA-N 495.648 6.239 50 10 JKGE Cc1c([C@@H](Cl)c2sc(Cl)cc2I)ccc(Cl)c1Cl 2316986069 YUMXHYZYSKKRBJ-LLVKDONJSA-N 451.971 6.950 50 10 JKGE O=C(c1cc(F)c(Br)cc1O)N(Cc1ccccc1)[C@H](CBr)C1CC1 2317269035 YJWZKJLWTNJRKY-QGZVFWFLSA-N 471.164 5.110 50 10 JKGE N#CC(=Cc1cccc(Br)c1)C(=O)N1CCN(C(c2ccccc2)c2ccccc2)CC1 2324521471 AZGQEPZLDAANPN-UHFFFAOYSA-N 486.413 5.290 50 10 JKGE BrCCC[C@H]1CCCN1Cc1ccc(I)c(Br)c1 2325208742 XUCNFLWWTVZVHC-LBPRGKRZSA-N 487.017 5.193 50 10 JKGE COc1cc(OC)c(OC)cc1C=C1Oc2c(ccc(OCc3ccc(CCl)cc3)c2C)C1=O 2325339822 TWYRBYGIWVFNPU-UHFFFAOYSA-N 480.944 5.955 50 10 JKGE CCc1ccc(-c2csc(C(C#N)=C(O)C=Cc3ccc(OCc4ccccc4Cl)cc3)n2)cc1 2331245578 ZAYSHYSBQWNREZ-UHFFFAOYSA-N 499.035 8.111 50 10 JKGE CCCCOc1ccc(C(O)=C(C#N)c2nc(-c3ccc(F)c(C)c3)cs2)cc1OCC 2331320530 BEUQYIIHPAJGRF-UHFFFAOYSA-N 452.551 6.785 50 10 JKGE CCCCCCCOc1ccc(-c2csc(C(C#N)=C(O)c3ccc(F)c(F)c3F)n2)cc1 2331346021 RTIAKVXBEPIOLT-UHFFFAOYSA-N 472.532 7.526 50 10 JKGE CCCCOc1ccc(C=C(C#N)c2nc(-c3ccc(Cl)c(Cl)c3)cs2)cc1OCC 2331443711 KYIIVBOXMKGTLL-UHFFFAOYSA-N 473.425 7.759 50 10 JKGE N#CC(=Cc1ccc(OCc2ccccc2Cl)cc1)c1nc(-c2ccc(Cl)s2)cs1 2331484994 IIZACJUHILLTHD-UHFFFAOYSA-N 469.418 7.822 50 10 JKGE Brc1cc(OCc2ccccc2)ccc1[C@H](Br)[C@@]12CCCC[C@H]1CCC2 2336053773 LXEXRLIRNCEWAP-OFAXGOBFSA-N 478.268 7.825 50 10 JKGE Brc1ccc(OCc2ccccc2)c([C@@H](Br)[C@H]2OC[C@@H]3CCCC[C@H]23)c1 2336076317 XPYWRQOLBOLGQE-BYZLFZLASA-N 480.240 6.669 50 10 JKGE C[C@@H]1OCC[C@H]1C[C@@H](Br)c1c(Cl)cc(Br)c(F)c1Br 2337105852 BOADQDASXRBQDT-BIIVOSGPSA-N 479.409 6.255 50 10 JKGE Cc1c(Br)sc([C@H](Br)[C@H]2C[C@H]3CCC[C@H]2CC3)c1Br 2338786118 ZAONBNVZHVJMQG-MRBYEJRBSA-N 471.096 7.234 50 10 JKGE Cc1cc([C@H](Cl)c2c(C)cc(Br)c(F)c2Br)sc1Br 2339652219 XFWRDOIGCBJWCU-NSHDSACASA-N 491.445 7.120 50 10 JKGE COc1c(Br)cc(C)c([C@H](Br)[C@H]2CC[C@H]2OC)c1Br 2339658027 DMNUBEICAYTUSK-MKPLZMMCSA-N 457.000 5.390 50 10 JKGE COc1cc(C)c([C@H](Br)c2csc(C)c2Br)cc1Br 2343561195 FITDYWHTZGEVJA-AWEZNQCLSA-N 469.036 6.383 50 10 JKGE ClCCc1nc2cnc3cccnc3c2n1CCCN(Cc1ccccc1)Cc1ccccc1 2362053112 MDBTWIALHKPEQR-UHFFFAOYSA-N 470.020 5.853 50 10 JKGE Fc1ccc([C@H](Br)c2c(Cl)cc(Br)c(F)c2Br)c(F)c1 2362231762 YYUQNKMBAFEEDS-NSHDSACASA-N 493.342 6.767 50 10 JKGE CC(C)CCOc1ccc(Br)cc1C(=O)NNC(=O)[C@H](C)Oc1ccc2ccccc2c1 14650817 ILZUJLFDXUVVIB-KRWDZBQOSA-N 499.405 5.256 50 10 JKGE Cc1ccc(N2C(=O)[C@H](Cc3ccc(Cl)cc3)S/C2=C(\C#N)C(=O)Nc2ccccc2)cc1 16739818 GESKCNIVNAMZBF-GPSDDGMOSA-N 473.985 5.713 50 10 JKGE COc1cc(/C=C(/C#N)c2ccccc2)ccc1OC(=O)COc1ccc(Cl)cc1Cl 31901847 ADKULXLXIFYRRK-WQRHYEAKSA-N 454.309 6.051 50 10 JKGE CCOc1ccc(/C=N\NC(=O)CSc2nc3ccccc3n2Cc2ccccc2Cl)cc1 33089345 JQTHSMUMJTXPRP-DICXZTSXSA-N 479.005 5.379 50 10 JKGE CCOc1ccc(NC(=O)/C(C#N)=C\c2c(Oc3cc(C)cc(C)c3)nc3ccccn3c2=O)cc1 33785627 QOZFAUFKEYBWAA-SILNSSARSA-N 480.524 5.048 50 10 JKGE Cc1cc(C)c(-c2nn(-c3ccccc3)cc2/C=C(/C#N)c2nc(O)c3ccccc3n2)c(C)c1 34983883 XRTLOCZUBPMQMA-QNGOZBTKSA-N 457.537 6.178 50 10 JKGE O=C(N/N=C/c1cc(/N=N/c2cccc(C(F)(F)F)c2)ccc1O)[C@H]1COc2ccccc2O1 38160980 SNPRGXVZXCKVCN-LCLPBZIFSA-N 470.407 5.117 50 10 JKGE CC(C)c1ccc(OCC(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@H]3c2ccc(C(C)C)cc2)cc1 38649631 ZGTOQFNAKZOHBH-LJAQVGFWSA-N 482.580 6.136 50 10 JKGE Cc1c(C(=O)Nc2cccc(Cl)c2Cl)oc2c1/C(=N/NC(=O)c1ccc(F)cc1)CCC2 40811929 HZCYQSRGEYRTPL-LQKURTRISA-N 474.319 5.757 50 10 JKGE Cc1c(C(=O)NN(c2ccccc2)c2ccccc2)oc2c1/C(=N/Nc1ccc([N+](=O)[O-])cc1)CCC2 40814747 LDNLYCZWHGZPBP-BGABXYSRSA-N 495.539 6.132 50 10 JKGE CCc1ccccc1OCC(=O)N/N=C/c1ccc(OCc2c(Cl)cccc2Cl)c(OC)c1 40888735 IXNZBZLJZUGAOK-CCVNUDIWSA-N 487.383 5.673 50 10 JKGE Cc1ccc(COc2cccc(/C=N/NC(=O)CSc3nc(-c4ccccc4)cs3)c2)cc1 40924660 WZLUSKBXKUBSHA-JFLMPSFJSA-N 473.623 5.940 50 10 JKGE CCCCCCCCCCCCCCCCCCN(C)C(=S)N[C@H]1CS(=O)(=O)C[C@H]1Cl 59568397 UWERRKKKZDFYFU-PKTZIBPZSA-N 495.239 6.459 50 10 JKGE COc1ccc([C@H](C(=O)NC2CCCCCC2)N(Cc2ccccc2Cl)C(=O)CCl)cc1 97915013 HQDNPQVILLWTKY-XMMPIXPASA-N 477.432 5.496 50 10 JKGE CCn1c2ccccc2c2cc(N/C=C(/C#N)c3nc(-c4cccc(Br)c4)cs3)ccc21 102417773 PBTIWXCVUZQAND-SDXDJHTJSA-N 499.437 7.677 50 10 JKGE FC(F)(F)c1ccc([C@@H](Br)c2cc(Br)sc2Br)cc1 104034773 QOACTKCMVUICCR-SNVBAGLBSA-N 478.953 6.776 50 10 JKGE Clc1ccc(C[C@H](Br)c2ccc(I)cc2)cc1Cl 110305646 CDMXRULQBWIZGT-LBPRGKRZSA-N 455.948 6.277 50 10 JKGE Cl[C@@H](c1cc(Br)sc1Br)c1sccc1Br 111222870 LWRCSGJXUHKXRH-ZETCQYMHSA-N 451.430 6.425 50 10 JKGE COc1cc([C@H](Br)c2cc(Br)c(C)cc2Br)ccc1C 128798493 IPRDJWAENFIBSY-INIZCTEOSA-N 463.007 6.321 50 10 JKGE O=c1[nH]c2ccc([C@H](Br)c3cc(Br)cc(Br)c3)cc2o1 232484930 IOQBNZXIWRRNIW-ZDUSSCGKSA-N 461.935 5.130 50 10 JKGE CC(C)Cc1ccc([C@@H](Br)c2cc(Cl)ccc2I)cc1 232655432 DLTYJPLBKDLZFN-QGZVFWFLSA-N 463.584 6.627 50 10 JKGE COc1cc(Cl)c([C@H](Br)c2ccc(Cl)cc2Br)cc1Cl 234899630 QFOGFZZAVABAOK-CQSZACIVSA-N 459.392 6.902 50 10 JKGE Cc1cccc(C[C@H](Br)c2cc(Br)ccc2I)c1 235906455 QUQZAFLOPDQOHE-AWEZNQCLSA-N 479.981 6.041 50 10 JKGE CC(=NNC(=O)c1cc(-c2cc(C)ccc2C)nc2ccccc12)c1cc(Cl)ccc1Cl 252623234 OMWKZUJRXQWSCB-UHFFFAOYSA-N 462.380 6.979 50 10 JKGE O=C(Cc1cccc2ccccc12)NN=Cc1c(OC(=O)c2ccccc2)ccc2ccccc12 254330893 TZEHORYEGQHRDH-UHFFFAOYSA-N 458.517 5.905 50 10 JKGE CC(C)(C)c1cc(C=NNC(=O)C(O)(c2ccccc2)c2ccccc2)cc(C(C)(C)C)c1O 254394407 SHDGDMRENDXAFW-UHFFFAOYSA-N 458.602 5.373 50 10 JKGE CCCCCOc1ccc(C=NNC(=O)Nc2sc3c(c2C(=O)OCC)CCCC3)cc1OC 256017399 LFVWCSDYGUNITI-UHFFFAOYSA-N 487.622 5.537 50 10 JKGE CCN(C[C@](C)(CI)O[C@@H]1C[C@@H](C)CC(C)(C)C1)C(=O)OC(C)(C)C 305729300 HFHKRGXWIQRMCZ-QINHECLXSA-N 467.432 5.669 50 10 JKGE Fc1cccc(Cl)c1COc1c(Br)cc(Br)cc1CBr 380228250 KQOIUJNCYXUOAE-UHFFFAOYSA-N 487.388 6.478 50 10 JKGE Cc1c(Br)cc(CCl)cc1S(=O)(=O)N(Cc1ccccc1)[C@H](C)C1CC1 385405903 QNBGRPVHFRTKBB-OAHLLOKOSA-N 456.833 5.486 50 10 JKGE Brc1cc2c(c([C@@H](Br)c3nscc3Br)c1)OCC2 404831629 YAYCNZWNDVSIMU-SNVBAGLBSA-N 453.981 5.087 50 10 JKGE CC(C)[Si](OC[C@@H](C)[C@H]1CC[C@H]2[C@H]3CC=C4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@@]21C)(C(C)C)C(C)C 605697105 GWSKDKFALUWOQA-BPKWWYETSA-N 488.873 8.755 50 10 JKGE in-vitro COCc1cc(Br)c([C@H](Br)c2sccc2Br)s1 688079602 QHBZJJDLPWGIMI-SECBINFHSA-N 461.038 5.965 50 10 JKGE Brc1cc2c(c([C@@H](Br)c3ccc(OCc4ccccc4)cc3)c1)OCCC2 688366584 ZGCDOBGULPPAFH-QFIPXVFZSA-N 488.219 6.837 50 10 JKGE Brc1cc([C@@H](Br)c2ccccc2OCc2ccccc2)cc2c1OCCC2 689520468 WMMSDIYXIOLZFH-JOCHJYFZSA-N 488.219 6.837 50 10 JKGE Fc1ccc([C@H](Br)c2cc(Br)cc(Br)c2)c(F)c1Cl 689652303 OQYXFVIEQIFSFQ-LLVKDONJSA-N 475.352 6.628 50 10 JKGE C[C@H](Cl)c1nc2ccc(F)c(Br)c2n1[C@H]1C[C@H](C)N(Cc2ccccc2)C1 689798530 LWPIBDKNKIVSEL-DZKIICNBSA-N 450.783 6.073 50 10 JKGE CN(C[C@@H]1CCCCN1Cc1ccccc1)c1ccc(Br)cc1CBr 720017371 UMCRPVGMCNAKOK-FQEVSTJZSA-N 466.261 5.835 50 10 JKGE Clc1ncsc1CC(CBr)(CBr)c1ccccc1Br 721329077 GYFSRDIBCISBKR-UHFFFAOYSA-N 488.470 5.829 50 10 JKGE COc1cc(C=NNC(=O)c2ccc(F)cc2)ccc1Oc1ccc(C(F)(F)F)cc1[N+](=O)[O-] 1084032851 HOSAYPXJXZJQJO-UHFFFAOYSA-N 477.370 5.318 50 10 JKGE Cc1cccc(Cn2cc(/C=C(\C#N)C(=O)Nc3ccc(Cl)cc3Cl)c3ccccc32)c1 1084062298 GTLOZZUMACIZQV-XDHOZWIPSA-N 460.364 6.851 50 10 JKGE COc1ccc(Br)cc1C=NNC(=O)CCCSc1nc2ccccc2s1 1084476493 LXWWWNLFDLWPBV-UHFFFAOYSA-N 464.410 5.090 50 10 JKGE Cc1cccc(Cl)c1COc1ccc(C=NNC(=O)CCCNc2ccc(Cl)cc2)o1 1084649694 IXJPGYNQWGOFKR-UHFFFAOYSA-N 460.361 5.816 50 10 JKGE FC(F)(F)Oc1ccccc1[C@H]1CN(Cc2ccccc2)C[C@@H]1CI 1614621717 HZMJZDKVUPDMMK-RDJZCZTQSA-N 461.265 5.236 50 10 JKGE CCOc1cc(/C=N/NC(=O)c2ccc(C)cc2)ccc1OCC(=O)Nc1ccc(C)c(Cl)c1 1615170121 PJRGRZWSIBFGSK-RWPZCVJISA-N 479.964 5.137 50 10 JKGE Cc1ccc(OC(=O)c2oc3c(c2C)C(=NNC(=O)C(c2ccccc2)c2ccccc2)CCC3)cc1 1772748314 KKMLJBVWNIRKGD-UHFFFAOYSA-N 492.575 6.104 50 10 JKGE N#CC1=C(N)Oc2c(c(-c3ccccc3)nn2-c2ccc(Cl)c(Cl)c2)[C@@H]1c1cccc(O)c1 1865681167 GRLRMYMCFBODIL-OAQYLSRUSA-N 475.335 5.770 50 10 JKGE CC(C)(C)c1ccc([C@@H]2C(C#N)=C(N)Oc3c2c(C(F)(F)F)nn3Cc2ccccc2Cl)cc1 1865682089 FSURPFLUAJWTBP-LJQANCHMSA-N 486.925 6.119 50 10 JKGE CCCc1nn(Cc2cccc(Cl)c2)c2c1[C@@H](c1ccc(Cl)cc1Cl)C(C#N)=C(N)O2 1865684868 AEFAJNPOWAIWLZ-FQEVSTJZSA-N 473.791 6.062 50 10 JKGE COc1ccc(-c2nn(-c3ccccc3Cl)c3c2[C@H](c2ccc(C(C)C)cc2)C(C#N)=C(N)O3)cc1 1865685365 IJLALFWXKOZNMU-RUZDIDTESA-N 496.998 6.543 50 10 JKGE Cc1ccc(O)c([C@H]2C(C#N)=C(N)Oc3c2c(-c2ccccc2)nn3Cc2ccc(Cl)cc2)c1 1865686879 DFFHJGUNSCIZNY-QHCPKHFHSA-N 468.944 5.484 50 10 JKGE CCCOc1ccc([C@@H]2C(C#N)=C(N)Oc3c2c(CCC)nn3Cc2cccc(Cl)c2)cc1 1865693872 MHKXEUFYURCZQK-HSZRJFAPSA-N 462.981 5.544 50 10 JKGE CCCOc1c(OC)cccc1[C@@H]1C(C#N)=C(N)Oc2c1c(CCC)nn2-c1cccc(Cl)c1 1865694261 WGZCVOSDDLZRIM-JOCHJYFZSA-N 478.980 5.494 50 10 JKGE COc1ccc(-c2nn(Cc3ccccc3)c3c2[C@H](c2c[nH]c4ccccc24)C(C#N)=C(N)O3)cc1 1865700533 WNIWZVWFEYSWDJ-VWLOTQADSA-N 473.536 5.306 50 10 JKGE CCCc1nn(Cc2ccccc2Cl)c2c1[C@H](c1ccccc1OC(C)C)C(C#N)=C(N)O2 1865704746 CXURGPNTOIRXTR-HSZRJFAPSA-N 462.981 5.543 50 10 JKGE Cc1ccc(C)c(Cn2nc(-c3ccccc3)c3c2OC(N)=C(C#N)[C@H]3c2ccccc2OC(C)C)c1 1865705422 VODSXPJFSHSOFQ-HHHXNRCGSA-N 490.607 6.221 50 10 JKGE COc1ccc(-c2nn(Cc3ccc(Cl)cc3)c3c2[C@H](c2cccc(C)c2)C(C#N)=C(N)O3)cc1 1865711227 SSXBYJJGAFHHNR-XMMPIXPASA-N 482.971 5.787 50 10 JKGE N#CC1=C(N)Oc2c(c(C(F)(F)F)nn2-c2ccccn2)[C@H]1c1cccc(OCc2ccccc2)c1 1865712060 OUWIIRGQHCKUHH-NRFANRHFSA-N 489.457 5.083 50 10 JKGE Cc1ccc(SCCCC(=O)NNC(=O)c2cc(C(F)(F)F)cc(C(F)(F)F)c2)cc1 1865755702 MIAAZVFIOMWPRU-UHFFFAOYSA-N 464.431 5.366 50 10 JKGE CCOC(=O)c1c(-c2ccc(Cl)cc2)csc1NC(=O)/C(C#N)=C/c1cccc(F)c1 1866131295 MYGOIJYOILXUOB-MHWRWJLKSA-N 454.910 5.930 50 10 JKGE Cc1oc(-c2ccc(C(C)(C)C)cc2)nc1CC(=O)N[C@H](C)C(=O)Nc1ccc(SC#N)cc1 1866675904 QLVISVFVNZWTAU-MRXNPFEDSA-N 476.602 5.207 50 10 JKGE COc1cc(/C=C/C(O)=C(\C#N)c2nc(-c3ccc(-c4ccccc4)cc3)cs2)ccc1OC(C)=O 1872744192 XWETUWXFWWPHSU-RMXSSTCOSA-N 494.572 6.917 50 10 JKGE C[C@H](/C(O)=C(\C#N)c1nc(-c2ccc3c(c2)CCCC3)cs1)N1C(=O)c2ccccc2C1=O 1872745320 HOPVEPNETDHDDY-GJGNJIHCSA-N 455.539 5.166 50 10 JKGE N#C/C(=C(/O)c1ccccc1Br)c1nc(-c2ccc(Oc3ccccc3)cc2)cs1 1872753861 QQSYQWHEARYAEC-ATJXCDBQSA-N 475.367 7.315 50 10 JKGE COc1ccc(-c2csc(/C(C#N)=C(\O)CCCCCNC(=O)c3ccccc3)n2)c(OC)c1 1872755327 IOEJOJZSFMJXER-LNVKXUELSA-N 477.586 5.610 50 10 JKGE COc1ccc(-c2csc(/C(C#N)=C/c3ccc(OCc4ccccc4)c(OC)c3)n2)cc1C 1872781117 VISBFNSZYXUVEJ-OEAKJJBVSA-N 468.578 6.779 50 10 JKGE Cc1nn(C)c([C@H](Br)c2cc(C3CC3)c(Br)s2)c1Br 1877179215 CFTWSLJUCQOMGW-LLVKDONJSA-N 469.040 5.677 50 10 JKGE CC[C@H](Br)CN(Cc1ccccc1)C(=O)c1c(F)cc(Br)cc1F 1915090340 KAUSCZJQZZKQJN-ZDUSSCGKSA-N 461.144 5.543 50 10 JKGE CC(C)[C@@H](CBr)N(Cc1ccccc1)C(=O)c1sccc1I 1915270740 TXPXICOFLNYWPP-OAHLLOKOSA-N 492.220 5.415 50 10 JKGE CC(C)[C@H](CCl)N(Cc1ccccc1)C(=O)c1cc(Br)cc(Br)c1 1915288229 HOABUCSIWXNBOR-SFHVURJKSA-N 473.636 6.117 50 10 JKGE CC(C)[C@@H](CBr)N(Cc1ccccc1)S(=O)(=O)c1ccc(Cl)c(Cl)c1 1915295907 ONVKMRSNZLRDDN-GOSISDBHSA-N 465.240 5.604 50 10 JKGE FC(F)(F)c1cccc(Cl)c1[C@@H](Cl)c1sc(Br)cc1Br 1922889805 YMNAQEJAIUZIQE-SNVBAGLBSA-N 468.947 7.274 50 10 JKGE Cc1c(Br)sc([C@@H](Cl)Cc2cccc(Br)c2)c1Br 1922942528 SBRBTYKLHNXZQI-JTQLQIEISA-N 473.455 6.867 50 10 JKGE FC1CCC([C@@H](Br)c2c(Br)sc(Br)c2Cl)CC1 1923068659 VCDKQRAWUINXAS-NPWHJSNTSA-N 469.439 6.891 50 10 JKGE C[C@@H](c1ccncc1Br)[C@@H](Br)c1cccc(I)c1 1924031398 LTBIAXLBCRWHPG-LKFCYVNXSA-N 480.969 5.688 50 10 JKGE C[C@]1([C@@H](Br)c2cc(Br)c(Br)s2)C[C@@H]1C(F)(F)F 1950758146 RTWZJPPHFDYELH-ZKWXMUAHSA-N 456.947 6.298 50 10 JKGE O=C(O)CCC[C@H](CCCC[C@@H]1CCSS1)NC(=O)OCC1c2ccccc2-c2ccccc21 1951547053 XPFRLSKSVQLAQC-VQTJNVASSA-N 499.698 6.863 50 10 JKGE Clc1c(Br)sc(Br)c1[C@H](Br)[C@H]1CC2(CC2)CO1 2001646329 KBKRVEIFVUFFLF-IYSWYEEDSA-N 465.432 5.932 50 10 JKGE CC(C)(C)OC(=O)N1CCC[C@@](CI)(OC2CC(C(C)(C)C)C2)C1 2011637976 AUCOWNOXGZOLKE-ZOJXTTQQSA-N 451.389 5.032 50 10 JKGE Fc1cc(Br)c(Cl)cc1[C@@H](Cl)c1cc(Br)c(Cl)s1 2052447586 AQPYDIJHQGHAIP-SNVBAGLBSA-N 453.385 7.047 50 10 JKGE CCOc1ccc(Br)cc1[C@@H](Br)c1cc(Br)sn1 2056496485 OGZHKTBTCCDXHE-GFCCVEGCSA-N 455.997 5.551 50 10 JKGE C[C@@H]1Cc2cc(Br)cc([C@@H](Br)c3sncc3Br)c2O1 2088931121 XKKYUEVPMDKOBQ-KSBSHMNSSA-N 468.008 5.476 50 10 JKGE ClCc1nc2cc(I)ccc2n1[C@@H]1CCCCN(Cc2ccccc2)C1 2102355515 GZULGUUGSCKFNW-GOSISDBHSA-N 479.793 5.607 50 10 JKGE CN(Cc1ccc(Br)cc1Br)[C@H]1CCCCC[C@H]1Br 2115916084 WCGXSWZQKHRYPO-HIFRSBDPSA-N 454.044 5.740 50 10 JKGE CCn1cc(Br)c(CC(CBr)(CBr)C2CCCC2)n1 2124741376 KVHGCJMKSPSDRC-UHFFFAOYSA-N 457.048 5.174 50 10 JKGE ClC1CCC2(CC1)C[C@H]2CNc1ncc(I)cc1Br 2133385594 SYAYRTMJQAGAAQ-IPWFMCSPSA-N 455.565 5.048 50 10 JKGE COc1cc(Cl)c([C@H](Br)c2scc(C)c2Br)cc1Br 2137661910 HKEDARYYXXUPHL-LBPRGKRZSA-N 489.454 6.728 50 10 JKGE Cc1c(Br)ccc([C@H](Br)C2CC3(CCOC3)C2)c1Br 2138864271 ODXAVINYLAILLE-CIQACWJJSA-N 453.012 5.773 50 10 JKGE Cc1cccc(COc2c(C)cc(Br)cc2CBr)c1Br 2144186022 GGORFANNRJEHQH-UHFFFAOYSA-N 463.007 6.302 50 10 JKGE C[C@H](Cl)c1nc2cc(I)ccc2n1[C@H]1CC(C)(C)[C@H]1OCc1ccccc1 2156372222 FJGGBLPJGOVWTA-GKCIPKSASA-N 494.804 6.497 50 10 JKGE Cc1cc(Br)c([C@H](Br)Cc2cccc(Cl)c2F)cc1Br 2169761655 WWJZMMODKMDIQC-CYBMUJFWSA-N 485.416 6.991 50 10 JKGE COC[C@@H]1CC[C@H](COc2c(Br)cc(CBr)cc2Br)C1 2181928136 XQPASDUFLBTUPL-MNOVXSKESA-N 471.027 5.548 50 10 JKGE Cc1c(Br)ccc([C@H](Br)[C@H]2CCCCC23CCC3)c1Br 2203700047 AWQPOJPTWFVJII-CJNGLKHVSA-N 465.067 7.317 50 10 JKGE COc1cc(Cl)c([C@@H](Cl)c2ccc(I)c(C)c2)cc1Br 2207109823 BIIHEUYXYRTKLM-HNNXBMFYSA-N 485.974 6.352 50 10 JKGE BrC[C@H](Cc1ccc(Br)cc1)Cc1nscc1Br 2219920332 IEJVSZGTKWDDLL-SNVBAGLBSA-N 454.025 5.464 50 10 JKGE CCCCCCCC[C@H](Br)c1cc(Br)c(Br)cc1F 2225616577 GPPYQAKAVXFNPF-LBPRGKRZSA-N 459.035 7.537 50 10 JKGE Fc1cc(Br)c(Br)cc1[C@H](Br)[C@@H]1C[C@H]2O[C@H]1[C@@H]1C[C@@H]21 2225635107 SSWZHDVUCDIUNG-LVCXMZDHSA-N 454.959 5.210 50 10 JKGE Fc1cc(Br)c(Br)cc1[C@@H](Br)c1cccc(Cl)c1Cl 2225635914 XUHSWLJDNAPESQ-LBPRGKRZSA-N 491.807 7.142 50 10 JKGE C[C@H](Cl)c1nc2cc(Br)c(Br)cc2n1C[C@H]1CCN1Cc1ccccc1 2225694088 QDZYKZFCDRLVMA-DZGCQCFKSA-N 497.662 6.136 50 10 JKGE C[C@H]1CCC[C@H](COc2c(Br)cc(CBr)cc2Br)O1 2226837123 CTNRJJUNAZZYBX-GXSJLCMTSA-N 457.000 5.443 50 10 JKGE Clc1cc(Br)c([C@H](Br)CC[C@H]2CCCCO2)c(Cl)c1Cl 2232509971 FVNRFZBJTPXUIF-RKDXNWHRSA-N 465.440 7.195 50 10 JKGE Clc1cc(Br)c([C@H](Br)C[C@@H]2C[C@H]3CC[C@H]2C3)c(Cl)c1Cl 2232514713 WNMJWDZAFHLSGA-AATLWQCWSA-N 461.452 7.672 50 10 JKGE FC1(F)[C@@H]([C@@H](Br)c2c(Br)cc(Cl)c(Cl)c2Cl)C12CCC2 2232530941 WQJUTGSPYIEZMB-KWQFWETISA-N 469.378 7.281 50 10 JKGE CCOCc1cc(Br)c([C@H](Cl)c2ccc(Br)c(Cl)c2)s1 2233009660 PNJOAOORDHQDHQ-CYBMUJFWSA-N 459.030 6.791 50 10 JKGE O=C(c1scc(Br)c1Br)N1[C@H](CBr)C[C@H]2CCCC[C@@H]21 2240728785 NHXSJLOLXXOWGQ-YWVKMMECSA-N 486.067 5.441 50 10 JKGE CCOCc1cc(Br)c([C@@H](Cl)c2cc(C)ccc2I)s1 2241000223 GIPACMLPXLETAV-AWEZNQCLSA-N 485.612 6.288 50 10 JKGE CC(C)(C)OC(=O)N[C@H](CBr)[C@@H]1C[C@@H]2CCCC[C@@H]2N(C(=O)OC(C)(C)C)C1 2241259848 JAUQYYPTQMZESR-HZMVEIRTSA-N 461.441 5.090 50 10 JKGE CC(C)(C)OC(=O)NC[C@@](C)(CI)OCC[C@@H]1CCCCC12CC2 2246627646 SGFBNLJBWFGWCO-MAUKXSAKSA-N 451.389 5.082 50 10 JKGE Cc1c(Br)sc([C@H](Br)[C@@H]2CCC[C@@H]2C(F)F)c1Br 2257872928 WMGZEPOSGGPZLI-BKPPORCPSA-N 467.011 6.699 50 10 JKGE CC1(C)[C@H]([C@H](Br)c2c(F)cc(Br)c(F)c2Br)C1(F)F 2272733960 KRYAPAIGRIACPJ-SCZZXKLOSA-N 468.908 6.217 50 10 JKGE Fc1cc(Br)c(F)c(Br)c1[C@@H](Br)CCOCC(F)F 2272742234 XFIYXEKLYKEYNC-YFKPBYRVSA-N 472.896 5.598 50 10 JKGE Cc1cc(Br)c(C)c([C@H](Br)[C@@]23CCC[C@@H]2CC3)c1Br 2273372226 VXRZFAHKGPYQLR-XFBWCDHKSA-N 451.040 6.845 50 10 JKGE FC1(F)[C@@H]([C@H](Br)Cc2cc(Br)cc(Br)c2)C12CCC2 2277962003 AZMMYNJKGZDPEN-NEPJUHHUSA-N 458.966 5.953 50 10 JKGE CCc1occ(C)c1[C@@H](Br)Cc1cc(Br)cc(Br)c1 2277963776 YHUZIGKKKCTQNZ-ZDUSSCGKSA-N 450.996 6.354 50 10 JKGE COc1c(Br)cc([C@@H](Br)C2CC(Br)C2)c(OC)c1C 2278019464 QEJRQCJMMFUEAZ-KWPJZBAWSA-N 457.000 5.384 50 10 JKGE COC1(C[C@H](Br)c2c(F)cc(Br)c(F)c2Br)CCCC1 2288347719 XEBSPJYTYVKNFJ-VIFPVBQESA-N 476.981 6.275 50 10 JKGE Cc1cc([C@@H](Br)Cc2cc(Br)cc(Br)c2)c(Cl)cc1F 2295265570 SNGVEJKCQSJXIL-ZDUSSCGKSA-N 485.416 6.991 50 10 JKGE CCc1nn(C)c([C@@H](Br)Cc2cc(Br)cc(Br)c2)c1Cl 2295336245 TVMWYSVLENQSIK-NSHDSACASA-N 485.445 5.840 50 10 JKGE N#CC(=Cc1ccc(Br)cc1)c1nc(-c2ccc(Oc3ccccc3)cc2)cs1 2295945640 HYESVTLRRKDQGN-UHFFFAOYSA-N 459.368 7.429 50 10 JKGE N#CC1=C(S)N(c2ccccc2)[C@@H](C=Cc2ccc(-c3cc(Cl)ccc3Cl)o2)NC1=O 2296818965 GLSUONZYFCGARF-NRFANRHFSA-N 468.365 5.894 50 10 JKGE COC(=O)c1ccc(COc2ccccc2C=C(C#N)C(=O)Nc2cccc(C(F)(F)F)c2)cc1 2297488329 UASAMUOXUYFZSC-UHFFFAOYSA-N 480.442 5.617 50 10 JKGE COc1cc(C=C(C#N)c2nc3cc(C)c(C)cc3[nH]2)ccc1OC(=O)C12CC3CC(CC(C3)C1)C2 2297555821 RWDRHAZFWPGPLL-UHFFFAOYSA-N 481.596 6.374 50 10 JKGE Brc1cc(OCc2ccccc2)ccc1[C@H](Br)[C@@H]1[C@H]2COCC[C@H]21 2299495112 JVNMQHYGJDKFOZ-LQJIQPLVSA-N 452.186 5.747 50 10 JKGE CCC[C@@H](C(C)C)[C@@H](Br)c1ccc(OCc2ccccc2)cc1Br 2299505015 SDXAELFPXSIEPF-GHTZIAJQSA-N 454.246 7.536 50 10 JKGE Cl[C@H](c1ccc(Br)cc1)c1cc(Br)ccc1OCc1ccccc1 2299533669 VMCVHPYHQGPELX-HXUWFJFHSA-N 466.600 7.119 50 10 JKGE Cc1cccc(COc2ccc(Br)cc2C=C(C#N)C(=O)Nc2cccc(C)c2)c1 2313636624 GYQKTACKWMMJRB-UHFFFAOYSA-N 461.359 6.191 50 10 JKGE CS[C@H]1C[C@@H](COc2c(Br)cc(Br)cc2CBr)C1 2314288459 JSDZMVLHOBVWLD-DKTWLAJQSA-N 459.041 5.627 50 10 JKGE CCCCOc1ccc(-c2nn(-c3ccccc3)cc2C=C(C#N)c2nc(O)c3ccccc3n2)cc1 2314433788 UCTXXECWQYHBHF-UHFFFAOYSA-N 487.563 6.431 50 10 JKGE CCCCOc1ccc(C=C(C#N)c2nc(O)c3cc(Br)ccc3n2)cc1OC 2314490359 XPIKZEGVXSNCEL-UHFFFAOYSA-N 454.324 5.350 50 10 JKGE CCc1ccc(N2C(=O)[C@@H](Cc3cccc(C)c3)SC2=C(C#N)C(=O)N[C@H](C)c2ccccc2)cc1 2314593739 SEARXAHBGBJZDZ-JIPXPUAJSA-N 495.648 5.861 50 10 JKGE Fc1c(Br)cc(Cl)c([C@@H](Br)[C@@H]2C[C@H]2C(F)F)c1Br 2315441302 FWXJDJZDMRTVMO-ZFSUVSKUSA-N 471.336 6.341 50 10 JKGE Fc1c(Br)cc(Cl)c([C@H](Br)c2sccc2Cl)c1Br 2315449582 QYFFNGGZXTZOLS-VIFPVBQESA-N 497.836 7.203 50 10 JKGE Clc1cc(I)c([C@@H](Br)C2C[C@H]3CCC[C@H](C2)C3)s1 2316596921 LIOLNHNJPNETHZ-RVBZMBCESA-N 459.618 6.659 50 10 JKGE FC1(F)CC2(CC([C@@H](Br)c3sc(Cl)cc3I)C2)C1 2316607979 XFSLHFCXIPLSJX-SECBINFHSA-N 467.544 6.268 50 10 JKGE CC1(C)[C@H]2CC[C@@H](C2)[C@H]1[C@H](Br)c1sc(Cl)cc1I 2316773807 BPBPEIUHSIWTNT-OSTYVCCYSA-N 459.618 6.514 50 10 JKGE C[C@]1([C@@H](Br)c2sc(Cl)cc2I)CCCCC1(F)F 2316776590 DWSHZZMUBBNHHM-WDEREUQCSA-N 469.560 6.658 50 10 JKGE CC(C)[C@@H](Br)C(C)(C)NC(=O)c1cc(Br)c(Br)s1 2318141283 DQWSEUDJKWFOFQ-SECBINFHSA-N 462.045 5.201 50 10 JKGE Fc1cc(Cl)c([C@H](Br)c2sc(Br)cc2Br)c(Cl)c1 2318357316 KMWBXURMAURROF-JTQLQIEISA-N 497.836 7.203 50 10 JKGE N#CC(=Cc1cccc(Br)c1)C(=O)Nc1nc(-c2ccc3ccccc3c2)cs1 2329698843 SUKFSPKFZCBOGA-UHFFFAOYSA-N 460.356 6.271 50 10 JKGE COc1cc(C=C(C#N)c2nc3cc(C)ccc3n2C)ccc1OCC(=O)Nc1ccc(C)cc1C 2331018618 XAACHFQKRGDRNF-UHFFFAOYSA-N 480.568 5.589 50 10 JKGE COc1ccc(-c2csc(C(C#N)=C(O)c3ccc4c(c3)C(=O)N(C(C)C)C4=O)n2)cc1C 2331259132 OOSZWJQDYJWFBJ-UHFFFAOYSA-N 459.527 5.081 50 10 JKGE COc1ccc(-c2csc(C(C#N)=C(O)C(=Cc3ccccc3)c3ccccc3)n2)c(OC)c1OC 2331412613 PEPJMBVIOPNSHZ-UHFFFAOYSA-N 496.588 6.869 50 10 JKGE N#CC(=Cc1ccc(OCc2ccccc2Cl)cc1)c1nc(-c2ccc(Cl)c(Cl)c2)cs1 2331443848 FAFWOWRYTAUQGC-UHFFFAOYSA-N 497.834 8.413 50 10 JKGE CCN(Cc1ccccc1)c1ccc(C=C(C#N)c2nc(-c3ccc(F)c(F)c3)cs2)cc1 2331464008 OVEYKPKBBBLQLV-UHFFFAOYSA-N 457.549 7.179 50 10 JKGE CCCCOc1ccc(C=C(C#N)c2nc(-c3c(C)c(C)cc(C)c3C)cs2)cc1OCC 2331467223 PQQVUYUMXGHABZ-UHFFFAOYSA-N 460.643 7.686 50 10 JKGE CCCCCOc1ccc(C=C(C#N)c2nc(-c3ccc(OC)c(OC)c3OC)cs2)cc1OC 2331492759 NGOOTTGSPFWKJU-UHFFFAOYSA-N 494.613 6.478 50 10 JKGE Cc1ccc([C@H](C)[C@@H](Br)c2cc(Br)ccc2OCc2ccccc2)cc1 2336045538 XDSUBOYUFJYNIV-GAJHUEQPSA-N 474.236 7.576 50 10 JKGE Brc1cc(OCc2ccccc2)ccc1[C@@H](Br)C1CC2(CCCCC2)C1 2336056973 NQPJVJBFIVRTFC-QFIPXVFZSA-N 478.268 7.825 50 10 JKGE Clc1ccc(CN2CCCC[C@@H]2CCCBr)cc1I 2337220560 FDCUHDZOOXGPAV-CYBMUJFWSA-N 456.593 5.474 50 10 JKGE CC(C)Cc1ccc([C@H](Br)c2ccc(Cl)cc2I)s1 2340065523 LJDVERIEJKCUIE-OAHLLOKOSA-N 469.613 6.689 50 10 JKGE CC(C)[C@@H](Br)C(C)(C)CNC(=O)c1cc(Br)sc1Br 2340322178 SBWWVDMBDPATHL-SNVBAGLBSA-N 476.072 5.449 50 10 JKGE Clc1cc(Cl)cc(CC[C@H](Br)c2cc(Br)c(Cl)s2)c1 2341184628 SEAPQXXZGNKWFX-JTQLQIEISA-N 463.449 7.540 50 10 JKGE Brc1cc2c(cc1[C@H](Br)c1occc1Br)CCCO2 2343583844 GNTTTYNMGRYUNA-ZDUSSCGKSA-N 450.952 5.614 50 10 JKGE Clc1ccc(I)cc1C[C@H]1C[C@H](Br)CC2(CCC2)C1 2352427321 GOKFUEFRENVHSI-AAEUAGOBSA-N 453.589 6.221 50 10 JKGE Fc1cc(Br)c(F)c(Br)c1[C@H](Br)[C@@H]1CC[C@H]2C[C@@H]1CO2 2359721002 GCWMXTFZRHYKNG-BSFVXNEUSA-N 474.965 5.741 50 10 JKGE Fc1cc(Cl)c(Br)c(Cl)c1[C@H](Br)c1cc2sccc2s1 2360426457 LNRFMXYQBCCTLE-GFCCVEGCSA-N 475.029 7.656 50 10 JKGE COc1c(Br)cc(C)c([C@H](Br)C2(CC3CC3)CC2)c1Br 2365216733 XKNGSXBMKDKTOJ-HNNXBMFYSA-N 467.039 6.545 50 10 JKGE CCOc1ccc([C@H](Cl)c2ccc(I)c(Br)c2)c(F)c1 2367466685 DJPCRPDCNRBYCF-OAHLLOKOSA-N 469.519 5.920 50 10 JKGE O=C(c1scc(Br)c1Br)N1C[C@@H]2C[C@H](CBr)C[C@@H](C2)C1 2369310810 OCQJROGCTSHDKM-ILWJIGKKSA-N 486.067 5.156 50 10 JKGE COc1cc(/C=C(\C#N)S(=O)(=O)c2ccccc2)ccc1OCc1ccc(C(C)(C)C)cc1 1966956 UOTMFJHZOZAKPG-LFVJCYFKSA-N 461.583 5.910 50 10 JKGE COc1ccc([C@H]2C(C#N)=C(N)Oc3[nH]nc(C(C)(C)C)c32)cc1COc1ccccc1Cl 16322970 MOOCLBSANPTLSG-FQEVSTJZSA-N 464.953 5.166 50 10 JKGE C/C(=N/NC(=O)c1ccc(NC(=O)c2ccc(C(C)(C)C)cc2)cc1)c1ccc(-c2ccccc2)cc1 33489915 UUKCOZNTYWPELS-VQNDASPWSA-N 489.619 7.057 50 10 JKGE COc1cccc(/C(C#N)=C\c2cn(-c3ccccc3)nc2-c2ccc(-c3ccccc3)cc2)c1 34378007 VYIDHDYMAFIHDW-DIBXZPPDSA-N 453.545 7.279 50 10 JKGE N#C/C(=C/c1c(-c2ccc(Cl)cc2)nc2sc3c(n12)CCCC3)c1cccc(Cl)c1 35129031 HJICOQFLCPAXCT-LGMDPLHJSA-N 450.394 7.313 50 10 JKGE CCOc1nc(-c2ccc(C(F)(F)F)cc2)n(-c2ccc(NC(=O)C(C)(C)CCl)cc2)n1 35806660 LHMGAJSOTZEJRQ-UHFFFAOYSA-N 466.891 5.555 50 10 JKGE CCOc1cc(CBr)cc(Br)c1OCc1cccc(Br)c1 36825235 PEKDHTJZWOYCPI-UHFFFAOYSA-N 479.006 6.084 50 10 JKGE Cc1cc(C)cc(OCC(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@H]3c2ccc(C(C)C)cc2)c1 38649586 DDNCQEIEKXKCAS-NDEPHWFRSA-N 468.553 5.629 50 10 JKGE N#CC1=C(N)Oc2cc(OC(=O)c3ccc(Cl)cc3Cl)ccc2[C@H]1c1ccc([N+](=O)[O-])cc1 38654612 BWVJFXXCWVUDPL-OAQYLSRUSA-N 482.279 5.339 50 10 JKGE CCCCOc1ccccc1[C@H]1C(C#N)=C(N)Oc2cc(OC(=O)COc3ccccc3)ccc21 38682716 NTCVSOXTSNASNM-HHHXNRCGSA-N 470.525 5.068 50 10 JKGE COc1cc(/C=N/NC(=O)[C@@H](C)Oc2ccc(C(C)(C)C)cc2)ccc1OCCc1ccccc1 40961548 YDZJMPZUZGAPCI-JZBVQRJASA-N 474.601 5.532 50 10 JKGE CCOc1cc(/C=C(/C#N)C(=O)Nc2ccc(C)cc2)cc(Cl)c1OCc1cccc(F)c1 59335573 BQBQBCRGGGNMAX-JAIQZWGSSA-N 464.924 6.311 50 10 JKGE CC(C)OC(=O)c1ccsc1NC(=O)/C(C#N)=C\c1ccc(OCc2cccc(Cl)c2)cc1 96438569 TVHXCLGQCNWAIL-UNOMPAQXSA-N 480.973 6.091 50 10 JKGE COc1cccc(CN(C(=O)CCl)[C@H](C(=O)NC2CCC(C)CC2)c2ccc(Cl)cc2)c1 97914748 SVNLEUMQOGBYNK-PZYUZEHPSA-N 477.432 5.352 50 10 JKGE COc1cccc(/C=C(/C#N)c2nn(-c3ccccc3)c(N)c2C#N)c1OCc1ccccc1Cl 102923733 SJPFDEYTWKLWQU-ZHZULCJRSA-N 481.943 5.631 50 10 JKGE Cc1cc(C)cc(N/C(SCc2c(F)cccc2Cl)=C(\C#N)S(=O)(=O)c2ccccc2)c1 104689222 UCBYYMKJBAMCQQ-VHXPQNKSSA-N 487.021 6.608 50 10 JKGE COc1ccc([C@@H](Br)c2cc(Br)ccc2Br)c(OC)c1 109844782 LJXVPGCOIDLDAF-OAHLLOKOSA-N 464.979 5.713 50 10 JKGE CCOc1ccc([C@H](Br)c2csc(I)c2)cc1OCC 124412793 TWRKEHLCNKLDMO-HNNXBMFYSA-N 467.166 5.634 50 10 JKGE FC(F)(F)c1cc([C@@H](Br)c2ccc(Br)cc2)ccc1Br 124608027 FKWRLPAUFADCGJ-ZDUSSCGKSA-N 472.924 6.715 50 10 JKGE COc1cc(OC)c([C@H](Br)c2cc(Cl)c(Br)s2)cc1OC 128149686 KEOBYUXBLSIKRG-ZDUSSCGKSA-N 456.583 5.674 50 10 JKGE CCCOc1ccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)/C=C\c4ccccc4)ccc32)cc1 205642500 KLQMTGLUFDTWKU-NSVNLEFRSA-N 452.510 5.312 50 10 JKGE CCCCOc1ccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)/C=C\c4ccccc4)ccc32)cc1OC 205650299 PRAJLHROTUMBNG-WOGJUPMISA-N 496.563 5.711 50 10 JKGE Fc1cc(Cl)c([C@H](Br)c2cc(Br)ccc2Br)cc1F 231306333 LFUWVGNDXVNJQP-CYBMUJFWSA-N 475.352 6.628 50 10 JKGE COc1cc(C)c(Br)cc1[C@@H](Cl)c1cc(Cl)ccc1I 234798377 SDHHVOVWAJQDKG-HNNXBMFYSA-N 485.974 6.352 50 10 JKGE Fc1ccc(COc2c(Br)cc(CBr)cc2Br)cc1F 236247065 IMZXGUMHUHNPFP-UHFFFAOYSA-N 470.933 5.964 50 10 JKGE CCCCCCCCOc1ccc(-c2cc(C(=O)NN=Cc3ccc(OC)cc3OC)[nH]n2)cc1 254740150 LYCBEUKBEVAKHM-UHFFFAOYSA-N 478.593 5.597 50 10 JKGE ClC1=C(Cl)[C@@]2(Cl)[C@@H]3[C@H](Br)[C@@H](Br)C[C@@H]3[C@@]1(Cl)C2(Cl)Cl 256600378 RVVRZNVGDRBUJH-OXSKZXFYSA-N 498.684 5.995 50 10 JKGE C[C@H](Cl)c1nc2cc(F)c(Br)cc2n1[C@H]1CCN(Cc2ccccc2)[C@@H]1C 312594413 DYABSKLJNJYUQN-KSMMKXTCSA-N 450.783 6.073 50 10 JKGE O=C(NC[C@H]1CCC[C@H](CBr)C1)c1cc(Br)ccc1Br 312650884 KVXYAIYXHLHXPE-QWRGUYRKSA-N 468.027 5.143 50 10 JKGE FC1(F)CCCC[C@@H]1[C@@H](Br)c1cc(I)cc2c1OCC2 328091752 URJSKISORUPUNZ-OLZOCXBDSA-N 457.096 5.488 50 10 JKGE CC(C)C[C@H](C)CC(CBr)(CBr)c1cccc(Br)c1 387636316 SLAPUCFDBDYCSU-ZDUSSCGKSA-N 455.072 6.549 50 10 JKGE ClCCc1nc2cc(I)ccc2n1CCCCOCc1ccccc1 390574841 VTUXOZYFSVOTJN-UHFFFAOYSA-N 468.766 5.419 50 10 JKGE C[C@H](Br)C[C@@H]1CCCCN1Cc1cc(Cl)ccc1I 405314964 WITLSEUKANSJJC-FZMZJTMJSA-N 456.593 5.473 50 10 JKGE CC(C)(C)[Si](C)(C)OCCN1CCCO[C@@H](c2ccc(CO[Si](C)(C)C(C)(C)C)cc2)C1 616599413 UYRIAGJVBFKWLJ-XMMPIXPASA-N 479.854 6.994 50 10 JKGE C=C(C)C(=O)OCc1cccc(CC[Si](O[Si](C)(C)C)(O[Si](C)(C)C)O[Si](C)(C)C)c1 642772163 UDMTYRQTFYSIHZ-UHFFFAOYSA-N 498.917 6.342 50 10 JKGE CC1(C)COc2c([C@H](Br)c3ncsc3Br)cc(Br)cc21 698689268 KUWQVRFHQZVKQZ-JTQLQIEISA-N 482.035 5.822 50 10 JKGE Clc1scnc1CC(CBr)(CBr)c1cccc(Br)c1 711643466 YVKODIHAKFKVEX-UHFFFAOYSA-N 488.470 5.829 50 10 JKGE COc1cccc(CNC(=O)[C@@H](c2cccs2)N(C(=O)CCl)c2cccc(C(F)(F)F)c2)c1 725237201 BDPDRHHHAQKKJD-OAQYLSRUSA-N 496.938 5.405 50 10 JKGE O=C(NN=Cc1cc(-c2ccccc2)n(-c2ccc(Cl)cc2)c1-c1ccccc1)c1ccc(F)cc1 1083995745 GIEWSZFCDWHTBE-UHFFFAOYSA-N 493.969 7.368 50 10 JKGE Cc1ccc(-n2c(C)cc(C=NNC(=O)CSCc3ccc([N+](=O)[O-])cc3)c2C)cc1C 1084134749 LWEGXQHCVHQJRB-UHFFFAOYSA-N 450.564 5.003 50 10 JKGE C=CCc1cc(C=NNC(=O)c2cc3ccccc3o2)cc(OCC)c1OCc1cccc(C)c1 1084180189 PWVNTNLJDOPUNR-UHFFFAOYSA-N 468.553 6.211 50 10 JKGE COc1ccc(C(C)=NNC(=O)c2ccc(CN3CCc4ccccc4C3)cc2)cc1Br 1084489127 ZROUZMVHQNEFOL-UHFFFAOYSA-N 492.417 5.170 50 10 JKGE Cc1ccc(-c2cc(C(=O)NN=Cc3ccc(C(C)C)cc3)c3cc(Br)ccc3n2)cc1 1088727252 XWQFCPLAYRWAQZ-UHFFFAOYSA-N 486.413 6.860 50 10 JKGE CC(C)(C)OC(=O)N1CC[C@H](c2ccc(F)c(C(=O)O)c2)[C@H](CO[Si](C)(C)C(C)(C)C)C1 1615773600 AQONPKQJLXOCGJ-ZWKOTPCHSA-N 467.654 5.886 50 10 JKGE Cc1c(C(=O)Nc2ccc(Oc3ccccc3)cc2)oc2c1C(=NNC(=O)c1ccccc1O)CCC2 1772751427 BLDTXQLOWRBTKM-UHFFFAOYSA-N 495.535 5.809 50 10 JKGE Cc1ccc2c(CC(=O)NN=C3CCCc4oc(C(=O)NC5CCCCC5)c(C)c43)coc2c1C 1772751485 DEWDAJGMPLQKQL-UHFFFAOYSA-N 475.589 5.413 50 10 JKGE CC(C)CCC[C@@H](C)[C@@H]1CC[C@H]2[C@@H]3CC=C4C[C@@H](OC(=O)CCCCl)CC[C@]4(C)[C@H]3CC[C@@]21C 1848665395 FWOCLQPBUVEXDS-FNVMLZHDSA-N 491.200 8.959 50 10 JKGE Cc1ccc(-n2nc(-c3ccccc3)c3c2OC(N)=C(C#N)[C@H]3c2cccc(Br)c2)cc1 1865683672 HXBNIVLPWKFLTJ-JOCHJYFZSA-N 483.369 5.828 50 10 JKGE COc1ccc(-c2nn(-c3cccc(Cl)c3)c3c2[C@@H](c2ccc(O)cc2)C(C#N)=C(N)O3)cc1 1865684541 ROTVKQAFAOJYLS-QFIPXVFZSA-N 470.916 5.125 50 10 JKGE COc1ccc2ccccc2c1[C@H]1C(C#N)=C(N)Oc2c1c(-c1ccccc1)nn2CC(C)C 1865688247 NVGKEDLJFKTEIA-XMMPIXPASA-N 450.542 5.586 50 10 JKGE COc1ccc(-c2nn(Cc3ccccc3)c3c2[C@@H](c2c[nH]c4ccccc24)C(C#N)=C(N)O3)cc1 1865700532 WNIWZVWFEYSWDJ-RUZDIDTESA-N 473.536 5.306 50 10 JKGE CCc1nn(-c2ccc(C)cc2)c2c1[C@H](c1ccccc1OCc1ccccc1Cl)C(C#N)=C(N)O2 1865702754 DPBHDXXKMISQMO-AREMUKBSSA-N 496.998 6.194 50 10 JKGE Cc1nc(-c2ccc(Cl)c(Cl)c2)ccc1C(=O)NNC(=O)c1ccc2ccccc2c1 1865759199 NFTWKQCNDHQVRD-UHFFFAOYSA-N 450.325 5.592 50 10 JKGE COC(=O)c1c(NC(=O)/C(C#N)=C/c2ccc(Cl)cc2)sc2c1CC[C@H](C(C)(C)C)C2 1866128462 SWNICOWEHYOCIQ-SFKKXYGYSA-N 456.995 5.885 50 10 JKGE CN1CCN(c2cc(Nc3ccc(SC#N)cc3)nc(-c3ccccc3)n2)C[C@H]1c1ccc(F)cc1 1868364598 ANUXIQIXTCVGOJ-VWLOTQADSA-N 496.615 6.093 50 10 JKGE N#C/C(=C(/O)Cc1ccc(Br)cc1)c1nc(-c2ccc(-c3ccccc3)cc2)cs1 1872744155 XEHQAIOBCCCMCW-GYHWCHFESA-N 473.395 7.275 50 10 JKGE CCc1ccc(-c2csc(/C(C#N)=C(\O)CCCOc3ccc(CC)cc3Br)n2)cc1 1872744502 VQIOTQOWAHPJPI-ATJXCDBQSA-N 497.458 7.349 50 10 JKGE N#C/C(=C(/O)c1cc(C(F)(F)F)cc(C(F)(F)F)c1)c1nc(-c2ccc(Cl)cc2)cs1 1872748098 IKTKHSNOQWVFSX-ICFOKQHNSA-N 474.813 7.451 50 10 JKGE N#C/C(=C(/O)c1ccc2c(c1)C(=O)N(Cc1ccco1)C2=O)c1nc(-c2ccc(F)c(F)c2)cs1 1872751320 BNQDWJWGPHBJSI-PYCFMQQDSA-N 489.459 5.427 50 10 JKGE COc1cc(C)c(-c2csc(/C(C#N)=C(\O)Cc3ccc(NC(C)=O)cc3)n2)cc1C(C)C 1872751816 VHIDTXLCLRTINZ-GYHWCHFESA-N 461.587 6.244 50 10 JKGE CCOc1ccc(OCC)c(-c2csc(/C(C#N)=C(\O)c3cccc(Br)c3)n2)c1 1872754834 LATODFOESCKIPH-UZYVYHOESA-N 471.376 6.320 50 10 JKGE COc1cc(Cl)c(C)cc1-c1csc(/C(C#N)=C(\O)c2cc([N+](=O)[O-])c(C)c([N+](=O)[O-])c2)n1 1872757096 QHZXWELKIXVKSI-ZHZULCJRSA-N 486.893 5.855 50 10 JKGE COc1ccc(-c2csc(/C(C#N)=C/c3cccc(OC)c3OCc3cccc(C)c3)n2)cc1 1872784148 FSTXPZYLRCHFKF-HZHRSRAPSA-N 468.578 6.779 50 10 JKGE COc1cc(/C=C(\C#N)c2nc(-c3cc(C)ccc3C)cs2)ccc1OCc1ccc(Cl)cc1 1872790874 JBFXBPLAZCAMLM-LPYMAVHISA-N 487.024 7.732 50 10 JKGE Cc1ccc(C(C)(C)C)cc1-c1csc(/C(C#N)=C/c2ccccc2OCc2ccccc2Cl)n1 1872793956 BYZUEMQEUONAPP-HZHRSRAPSA-N 499.079 8.713 50 10 JKGE CC(C)C[C@H](/C(O)=C(\C#N)c1nc(-c2cccc([N+](=O)[O-])c2)cs1)N1C(=O)c2ccccc2C1=O 1873940654 BLBOPPVIHGVUPZ-DQVIVYRFSA-N 488.525 5.222 50 10 JKGE Clc1cc(I)c([C@H](Cl)c2scc(Br)c2Cl)s1 1900918341 FHQBTXMUQVDMLD-ZETCQYMHSA-N 488.424 6.812 50 10 JKGE CC(C)C[C@@H](Br)CCc1ccc(I)c(Br)c1 1904328913 YKOIZPWAUOLOJK-NSHDSACASA-N 459.991 5.796 50 10 JKGE O=C(c1cccc(Br)c1Br)N(CCCBr)Cc1ccccc1 1914614304 NPGVYZXFOAZFNR-UHFFFAOYSA-N 490.033 5.639 50 10 JKGE C[C@H](c1cccs1)N(Cc1ccccc1)S(=O)(=O)c1cc(CCl)sc1Br 1914878125 GVKNVOGXBDOFED-CYBMUJFWSA-N 490.897 6.263 50 10 JKGE CC(C)(CCl)N(Cc1ccccc1)C(=O)c1cc(Cl)ccc1I 1915786897 AODADHHICDIIOF-UHFFFAOYSA-N 462.158 5.604 50 10 JKGE Cc1c(Br)sc([C@@H](Br)[C@H]2CC23CCOCC3)c1Br 1922906423 JELAULKTLVLKLN-SCZZXKLOSA-N 459.041 5.834 50 10 JKGE Brc1cc(Br)c([C@H](Br)c2ccc3c(c2)COC3)s1 1922939660 IURFMTMWOQSPSH-GFCCVEGCSA-N 452.993 5.788 50 10 JKGE Cc1c(Br)sc([C@H](Cl)c2cc(F)c(Cl)cc2F)c1Br 1922955444 ZKTLJEXWOLPSPL-SNVBAGLBSA-N 450.957 6.841 50 10 JKGE COCC1([C@H](Cl)c2c(Br)sc(Br)c2Cl)CCCCC1 1923038943 LXGHLBVFOANRMG-SNVBAGLBSA-N 451.051 6.803 50 10 JKGE CC(C)(C)OC1CC([C@@H](Br)c2c(Br)sc(Br)c2Cl)C1 1923073997 FKTHSWVWTURVDA-QXUHLLMWSA-N 495.502 6.956 50 10 JKGE Cl[C@H](Cc1ccncc1Br)c1csc(Br)c1Br 1924016774 PAYWDXFQWZGQIE-SECBINFHSA-N 460.416 5.953 50 10 JKGE Cc1sc(Br)cc1[C@H](Cl)c1c(Cl)sc(Br)c1Cl 1925546528 PLYTUBFCJCIVNT-ZETCQYMHSA-N 455.451 7.278 50 10 JKGE C[C@H](C[C@@H](Br)c1c(Br)sc(Br)c1Cl)C1CC1 1983716934 SIGCHCVNJMAJJM-IYSWYEEDSA-N 451.449 6.799 50 10 JKGE COCc1cc(Br)c([C@H](Br)c2cc(Br)sn2)s1 2007643593 KGGLZUFOKSQPRG-SECBINFHSA-N 462.026 5.360 50 10 JKGE Brc1cccc([C@@H](Br)c2ccc(C3CC3)s2)c1Br 2031481390 GIMHRBVWSISMGF-CQSZACIVSA-N 451.021 6.635 50 10 JKGE Cc1sc2nc(C(C#N)=Cc3cn(-c4ccccc4)nc3-c3cccc(Cl)c3)nc(O)c2c1C 2042446372 KURCWGAKLOBLMN-UHFFFAOYSA-N 483.984 6.584 50 10 JKGE BrCc1c(Br)cccc1N1CC[C@@H]2CN(Cc3ccccc3)C[C@H]2C1 2049666964 JGVLFXMPOFRVDH-MSOLQXFVSA-N 464.245 5.302 50 10 JKGE CO[C@@H]1C[C@@H]([C@H](Br)c2cc(Br)sc2Br)C12CCC2 2070187065 ZUFQGUUKBSZSGX-IQJOONFLSA-N 459.041 5.914 50 10 JKGE C[C@@H]1CCO[C@@H]1CC(CBr)(CBr)c1ccc(Br)cc1 2096130848 YQLGNCDLENLZRZ-BXUZGUMPSA-N 455.028 5.292 50 10 JKGE Brc1cc([C@H](Br)[C@@H]2C[C@@H]3CCCCCC[C@H]32)sc1Br 2109844788 CSICXFJVEWKVHB-ICUOPCATSA-N 471.096 7.316 50 10 JKGE CC(C)c1nc(C[C@H](Br)c2cccc(Br)c2)c(Br)[nH]1 2113488182 AJVWQSKSTWKYKY-NSHDSACASA-N 451.000 5.737 50 10 JKGE Fc1cc(Br)cc(F)c1C[C@H](Br)c1cccc(Br)c1 2113495550 PELQGORZSBZNFJ-LBPRGKRZSA-N 454.934 6.169 50 10 JKGE Brc1cnc(N2C[C@@H](Br)C3(CCCCC3)C2)c(Br)c1 2117743797 RDTFBVIJCCWGGY-GFCCVEGCSA-N 453.016 5.141 50 10 JKGE Brc1ccc(Br)c(CN2C[C@H](Br)CCC23CCC3)c1 2118521325 DERXERZOOPPCCV-CYBMUJFWSA-N 452.028 5.494 50 10 JKGE Brc1ccc(Br)c([C@H](Br)[C@@H]2C[C@@H]2C2CCOCC2)c1 2135279332 VQWFEVAKIDQZJE-LALPHHSUSA-N 453.012 5.710 50 10 JKGE Cc1cc(Br)c(C)c([C@H](Br)[C@H]2C[C@H]2C(C)(C)C)c1Br 2136366087 DUGILGGAQAFPQA-FIXISWKDSA-N 453.056 6.947 50 10 JKGE Cc1c(Br)ccc([C@H](Br)[C@@H]2C[C@H]3O[C@H]2[C@H]2C[C@@H]23)c1Br 2138867813 YQQDJHCRMNHKPQ-SYQCKHNVSA-N 450.996 5.379 50 10 JKGE Fc1cc(Cl)c([C@@H](Br)c2cc(Br)cc(Br)c2)cc1Cl 2139427001 SNCQBZSPTXXVAK-ZDUSSCGKSA-N 491.807 7.142 50 10 JKGE Clc1cc([C@@H](Cl)c2cccc(Br)c2Br)c(Cl)c(Cl)c1Cl 2148751150 JHBQPPVJLSWVGR-JTQLQIEISA-N 498.256 8.153 50 10 JKGE Cn1nc([C@@H](Br)c2c(Br)cc(F)c(F)c2F)c(Cl)c1Cl 2150723336 NLKLXAMTYREZKE-LURJTMIESA-N 452.883 5.391 50 10 JKGE CN(CCN(CC(F)(F)F)CC1(CBr)CCCCCC1)C(=O)OC(C)(C)C 2163059429 SXOJHKVQPVEBHU-UHFFFAOYSA-N 459.391 5.453 50 10 JKGE COc1ccc(C[C@H](Br)c2sc(Br)c(C)c2Br)cc1F 2168413219 PTQIZOPUXZTZRG-VIFPVBQESA-N 487.026 6.408 50 10 JKGE FC(F)(F)C1([C@@H](Br)c2c(Cl)sc(Br)c2Cl)CCCCC1 2173215459 VRFBKJLIIRLIIG-QMMMGPOBSA-N 474.995 7.766 50 10 JKGE Cc1cc(Br)c(CBr)c(Oc2cc(F)c(Cl)cc2Br)c1 2173448649 CDWUOZKJQGWOEG-UHFFFAOYSA-N 487.388 7.000 50 10 JKGE F[C@H](C(F)(F)F)C(F)(F)Oc1c(Br)cc(Br)cc1CBr 2175183244 PIUFEZLAPWIVIG-MRVPVSSYSA-N 494.849 5.979 50 10 JKGE Br[C@@H](c1ccc(-c2ccccc2)cc1)c1cc(I)sn1 2176535481 AMUVZYXRMSCAML-INIZCTEOSA-N 456.146 5.899 50 10 JKGE F[C@@H](COc1c(Br)cc(Br)cc1CBr)C1CCCCC1 2178102550 UHWVNIWEVRDJQD-AWEZNQCLSA-N 473.018 6.404 50 10 JKGE CCC(CC)(CBr)CN1CCN(C(=O)OC(C)(C)C)[C@@H](C)C[C@H]1C(F)(F)F 2178262876 GHGMFDLJYBNIBA-GJZGRUSLSA-N 459.391 5.450 50 10 JKGE COc1cc(Br)c(C)cc1[C@H](Br)c1c(C)nn(C)c1Br 2185754649 QUVDRWCSCIJPAE-ZDUSSCGKSA-N 466.999 5.055 50 10 JKGE Cc1c(Br)ccc([C@H](Br)[C@@H]2CC[C@@H]3[C@@H](C2)C3(F)F)c1Br 2203690353 DCZBSMMJCVSPOO-IDTAVKCVSA-N 472.993 6.637 50 10 JKGE CCC[C@@H]1CN(C(=O)c2cc(Br)cc(Br)c2)C[C@@H]1CBr 2205704164 PVLLJGPJOIOLFW-PWSUYJOCSA-N 468.027 5.095 50 10 JKGE ClCc1nc2cccc(Br)c2n1C[C@@H]1CC1(Br)Br 2218000665 VICIROYICIXUBP-ZETCQYMHSA-N 457.391 5.044 50 10 JKGE Cc1sc([C@H](Br)c2ccc(Br)cc2Br)c(C)c1C 2221246896 VZHULXRCWAQDGF-CYBMUJFWSA-N 453.037 6.683 50 10 JKGE FC1(F)CCC([C@@H](Br)c2c(Br)cc(Cl)c(Cl)c2Cl)CC1 2232510201 GCYJNDDENWGQOG-SNVBAGLBSA-N 471.394 7.671 50 10 JKGE Fc1cc(Br)c(Br)cc1[C@H](Br)[C@@H]1CC2(CCCC2)CO1 2233981252 FZARRBXDJDMUKT-KBPBESRZSA-N 471.002 6.136 50 10 JKGE Cc1cc(Br)c([C@@H](Br)[C@]23CO[C@](CF)(C2)C3)c(C)c1Br 2235612829 SDYPEBJEODNMGG-RBSFLKMASA-N 471.002 5.783 50 10 JKGE Cc1cc(Br)c([C@@H](Br)C(C)(C)C2CCCC2)c(C)c1Br 2235613727 AGFHPLDRJTWXBQ-MRXNPFEDSA-N 467.083 7.481 50 10 JKGE O=C(c1cc(Br)sc1Br)N1C[C@@H]2CCCC[C@@]2(CBr)C1 2239154372 ATWCZKHBEHZEBT-LKFCYVNXSA-N 486.067 5.300 50 10 JKGE C[C@H]1C[C@@H]1CCCCOC1(CI)CCN(C(=O)OC(C)(C)C)CC1 2248459916 CUUCECLROMBSKG-HOTGVXAUSA-N 451.389 5.034 50 10 JKGE Cc1cc(Cl)c(Br)cc1[C@@H](Br)c1scc(Br)c1Cl 2253596532 BMOZDXSMEWTFHC-SNVBAGLBSA-N 493.873 7.373 50 10 JKGE COc1ccc([C@H](Cl)c2cc(Cl)ccc2Br)cc1I 2269541288 DGVJGWUIMONPAT-AWEZNQCLSA-N 471.947 6.044 50 10 JKGE Fc1cc(Br)c(F)c(Br)c1[C@@H](Br)[C@@H]1C2C[C@@H]3C1[C@@H]3C2 2272748352 UZOWMMGMHSMECR-CZILZZGJSA-N 456.950 5.828 50 10 JKGE COc1ccc([C@H](Br)[C@@H]2CCCC(C)(C)CC2)cc1I 2285011196 QGBHDFLFIYIBFD-MLGOLLRUSA-N 451.186 6.342 50 10 JKGE COc1ccc2nc(C(C#N)=Cc3cc(Cl)c(OCc4cccc([N+](=O)[O-])c4)c(Cl)c3)[nH]c2c1 2294284809 ZTJFDUBFNYMCLI-UHFFFAOYSA-N 495.322 6.430 50 10 JKGE CCC(CC)[C@@H](Br)CNC(=O)Cc1cc(Br)cc(Br)c1 2295315355 KLTCHHLBQGCZMM-AWEZNQCLSA-N 470.043 5.070 50 10 JKGE Cc1ccc(NC(=O)C(C#N)=Cc2c(Oc3ccccc3Cl)nc3c(C)cccn3c2=O)cc1 2296542775 NUPWVRRAVXTINX-UHFFFAOYSA-N 470.916 5.303 50 10 JKGE CCOC(=O)c1c(NC(=O)C(C#N)=Cc2ccc([C@H]3C[C@H]3c3ccccc3)o2)sc2c1CCCC2 2296835656 JRDZYPFABDSMFB-VXKWHMMOSA-N 486.593 6.213 50 10 JKGE Cl[C@@H](c1ccccc1Br)c1cc(Br)ccc1OCc1ccccc1 2299494833 IZMKICQXHSIXPD-FQEVSTJZSA-N 466.600 7.119 50 10 JKGE CC(C)CC1([C@H](Br)c2ccc(OCc3ccccc3)cc2Br)CC1 2299533050 NUBVVGMBWPQOOT-HXUWFJFHSA-N 452.230 7.290 50 10 JKGE C=CCOc1c(Br)cc(C=C(C#N)C(=O)Nc2cccc(Cl)c2Cl)cc1CC=C 2313571192 PITJCVIAAQMZTM-UHFFFAOYSA-N 492.200 6.595 50 10 JKGE COc1ccc(C=C(C#N)C(=O)Nc2cccc(Cl)c2)cc1OCc1ccc(Cl)cc1 2313631448 QDWYUJSJPBTLGH-UHFFFAOYSA-N 453.325 6.127 50 10 JKGE COc1cc(C=C(C#N)C(=O)Nc2cccc(C(F)(F)F)c2)ccc1OCc1ccc(C)cc1 2313738797 PRLJJIWCDTUVHE-UHFFFAOYSA-N 466.459 6.147 50 10 JKGE CCc1ccc(N2C(=O)[C@@H](Cc3ccc(F)cc3)SC2=C(C#N)C(=O)N[C@@H](C)c2ccccc2)cc1 2314593578 POEBIVJOVOZLOY-AFMDSPMNSA-N 499.611 5.692 50 10 JKGE Cc1c([C@H](Cl)c2sc(Cl)cc2I)ccc(Cl)c1Cl 2316986070 YUMXHYZYSKKRBJ-NSHDSACASA-N 451.971 6.950 50 10 JKGE COc1ccc(C(C#N)=Cc2ccc(OC(=O)c3ccc(Cl)c(Cl)c3)c(OC)c2)cc1 2320506155 CRZYJNOFJLDWBQ-UHFFFAOYSA-N 454.309 6.294 50 10 JKGE CCOc1ccc(C=CC(=O)Oc2ccc(C=C(C#N)c3ccc(OC)cc3)cc2OC)cc1OC 2320506749 QQSQXNLKJPVRHY-UHFFFAOYSA-N 485.536 5.794 50 10 JKGE N#CC(=CNc1cc(Br)ccn1)C(=O)Nc1ccccc1Sc1ccccc1 2325339727 XMSJTRJDJFHEDN-UHFFFAOYSA-N 451.349 5.453 50 10 JKGE CCCCCCCCCOc1ccc(C=C(C#N)c2ccc(Cl)cc2F)cc1Br 2331063835 CQCFIXYHHINGMG-UHFFFAOYSA-N 478.833 8.435 50 10 JKGE CSCC[C@H](C(O)=C(C#N)c1nc(-c2cccs2)cs1)N1C(=O)c2ccccc2C1=O 2331327518 OPDJWPADNPBKDY-QGZVFWFLSA-N 467.597 5.082 50 10 JKGE COc1ccc(CCN2C(=O)c3ccc(C(O)=C(C#N)c4nc(C(C)C)cs4)cc3C2=O)cc1 2331327640 BBEYGONJCVVLBP-UHFFFAOYSA-N 473.554 5.064 50 10 JKGE COc1c(Cl)cc(Cl)cc1-c1csc(C(C#N)=C(O)C=Cc2cccc([N+](=O)[O-])c2)n1 2331362862 VZXHZEFCERTSMI-UHFFFAOYSA-N 474.325 6.540 50 10 JKGE CCOc1ccc(-c2csc(C(C#N)=C(O)Cc3ccc(Cl)c(Cl)c3)n2)c(OCC)c1 2331387074 WGMUEIWUPKLSQM-UHFFFAOYSA-N 475.397 6.950 50 10 JKGE Cc1cc(Br)c(C)c([C@@H](Br)[C@@]23CCC[C@@H]2CC3)c1Br 2334772487 VXRZFAHKGPYQLR-HFBAOOFYSA-N 451.040 6.845 50 10 JKGE CS(=O)(=O)c1cscc1[C@@H](Cl)c1cc(Br)ccc1OCc1ccccc1 2336045238 VCKDBXALTCVWIX-IBGZPJMESA-N 471.825 5.821 50 10 JKGE CC(C)(C1CCCCC1)[C@@H](Br)c1cc(Br)ccc1OCc1ccccc1 2336053656 KZZAIFMCQXYEFE-QFIPXVFZSA-N 480.284 8.071 50 10 JKGE COc1ccc(Cl)cc1[C@@H](Cl)c1cc(Br)ccc1OCc1ccccc1 2336084703 WDKSUAUEAKPBPZ-NRFANRHFSA-N 452.175 7.018 50 10 JKGE Fc1c(Br)cc(Cl)c([C@H](Br)[C@@]23CCC[C@@H]2CC3)c1Br 2337088590 NOGRMZVEWBMEHN-IYCUSSIYSA-N 475.421 7.020 50 10 JKGE Fc1c(Br)cc(Cl)c([C@@H](Br)[C@@]23CC[C@@H](CO2)C3)c1Br 2337107736 WTIPPIYPKHQSLA-SMOQUIODSA-N 477.393 6.009 50 10 JKGE Cn1nc(Br)c(Br)c1[C@@H](Cl)Cc1ccc(Br)cc1Cl 2338863317 ITMGYVYWKYZEFU-VIFPVBQESA-N 491.836 5.884 50 10 JKGE Cc1cc(Br)c([C@@H](Br)[C@]23C[C@H](C[C@H](C)O2)C3)cc1Br 2342805339 LXXJORYOPAMPIP-NBLIUIFLSA-N 453.012 5.914 50 10 JKGE CC(C)(C1CCCC1)[C@@H](Br)c1c(Cl)cc(Br)c(F)c1Br 2362224528 LYMZMCQURMAROC-AWEZNQCLSA-N 491.464 7.657 50 10 JKGE Fc1c(Br)cc(Cl)c([C@@H](Cl)c2cc3sccc3s2)c1Br 2362241541 XTCKSUSJXBOFRO-LBPRGKRZSA-N 475.029 7.609 50 10 JKGE COc1c(Br)cc(C)c([C@H](Br)C[C@@H]2CO[C@@H](C)C2)c1Br 2365191323 MYBKXCBFFZQCMX-HBNTYKKESA-N 471.027 5.780 50 10 JKGE Cc1cc(F)cc([C@H](Br)c2c(C)cc(Br)c(F)c2Br)c1 2365216338 TUDUYJDWGRRFCQ-ZDUSSCGKSA-N 468.961 6.591 50 10 JKGE C[C@@H]1COc2ccc([C@H](Br)c3ccc(Cl)cc3I)cc21 2365598611 RDHWWSMHSXPGNK-ABKXIKBNSA-N 463.540 5.925 50 10 JKGE O=C(Nc1ccc(CBr)c(F)c1)c1ccc(Cl)cc1I 2367666882 MSLICDXBIBIXMQ-UHFFFAOYSA-N 468.491 5.231 50 10 JKGE C[C@@H]1CCC[C@]12[C@@H](Br)C[C@@H]2OCc1cc(I)ccc1Cl 2380346349 MEXILOGDWRQJLJ-GCUJQHFUSA-N 469.588 5.803 50 10 JKGE CC(C)(C)c1ccc(OCC(=O)NNC(=O)c2ccc(-c3ccccc3)cc2)c(C(C)(C)C)c1 14661624 SAYGKQPTQLHCCL-UHFFFAOYSA-N 458.602 5.789 50 10 JKGE COc1ccc(/C(C#N)=C\c2cccc(OC(=O)C(c3ccccc3)c3ccccc3)c2)cc1OC 31902907 IKHPRHMZKAVKPO-ITYLOYPMSA-N 475.544 6.505 50 10 JKGE O=C(N/N=C\c1ccc(Sc2nc3ccccc3s2)c([N+](=O)[O-])c1)c1ccc(F)cc1 33349743 CZJIRZBAGNAKDG-FMCGGJTJSA-N 452.492 5.259 50 10 JKGE CC[C@@H]1CCc2sc(C(=O)N/N=C(/C)c3ccc(NS(=O)(=O)c4ccc(C)cc4)cc3)cc2C1 33498940 QPLFGLNHTBSFPB-ZQHRETPFSA-N 495.670 5.526 50 10 JKGE CCCOC(=O)c1ccc2ccccc2c1OC(=O)[C@@]12CC[C@@](C)(C(=O)[C@@H]1Br)C2(C)C 33514336 GTOZJEAZGDSSJK-PNTFMKQHSA-N 487.390 5.471 50 10 JKGE Cc1cccc(NC(=O)/C(C#N)=C\c2cn(Cc3ccc(Cl)cc3)nc2-c2ccccc2)c1 35021458 PXFCXWSVPIYAOA-JCMHNJIXSA-N 452.945 6.106 50 10 JKGE COc1ccc(-c2nn(-c3ccccc3)cc2/C=C(/C#N)c2nc(O)c3ccc(C)cc3n2)cc1 35518840 OQJPJDWGXDXKPZ-HKWRFOASSA-N 459.509 5.569 50 10 JKGE CC1=C(C#N)C(=O)N(C2CCCC2)C(=O)/C1=C/c1cn(-c2ccccc2)nc1-c1cc(C)ccc1C 38607818 MFPUVIIXMKIXOE-WGOQTCKBSA-N 476.580 5.691 50 10 JKGE CCCOc1ccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4cccc5ccccc45)ccc32)cc1 38650683 FKTATOOBVVQRLA-MUUNZHRXSA-N 476.532 6.066 50 10 JKGE CC(C)(C)c1ccc(C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@@H]3c2cccc([N+](=O)[O-])c2)cc1 38653351 LXXQGEYZXCFOLD-XMMPIXPASA-N 469.497 5.330 50 10 JKGE CCOc1ccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)COc4ccc(Cl)cc4C)ccc32)cc1 38685900 HNLGHQOXMZLBNM-AREMUKBSSA-N 490.943 5.250 50 10 JKGE Nc1c(NNC(=O)c2ccc(Cl)cc2Cl)ncnc1Nc1ccc(Cl)c(C(F)(F)F)c1 40793443 AZVKMMPCZHDMBS-UHFFFAOYSA-N 491.688 5.538 50 10 JKGE COc1ccc(C(=O)N/N=C2\CCCc3oc(C(=O)Nc4ccc(Cl)cc4C)c(C)c32)cc1 40813823 MDSAXSDYPQXLPG-VFCFBJKWSA-N 465.937 5.281 50 10 JKGE Cc1c(C(=O)Nc2cc(Cl)cc(Cl)c2)oc2c1/C(=N/NC(=O)c1ccncc1)CCC2 40813966 MOFVGMBIBDEKNB-WPWMEQJKSA-N 457.317 5.013 50 10 JKGE CCCCOc1ccc(/C=C(\C#N)C(=O)Nc2ccc(I)cc2C)cc1 40865452 PQQGSAYIEIMRSQ-GHRIWEEISA-N 460.315 5.324 50 10 JKGE CCCCCCCCCCCCCCCC(=O)OC[C@@H](O)C[C@@H](Br)P(=O)(O)O 43197258 HLVKVWDSLLFMSX-OALUTQOASA-N 487.412 5.661 50 10 JKGE in-vitro N#C/C(=C(\C=C(\CC(=O)c1ccccc1)c1ccccc1)c1ccccc1)c1ccc([N+](=O)[O-])cc1 106916688 GEWGYCJSARAGGV-FFKKSUQSSA-N 470.528 7.386 50 10 JKGE CCOc1cc(CBr)cc(Br)c1OCc1sccc1Br 110377884 AHZPIZUOKCTKCJ-UHFFFAOYSA-N 485.035 6.146 50 10 JKGE O=C1Cc2cc([C@@H](Br)c3cc(Br)c(Br)s3)ccc2N1 128863397 GZUHIHUSSHPGCA-GFCCVEGCSA-N 465.992 5.252 50 10 JKGE Fc1cccc(CC(CBr)(CBr)Cc2ccccc2)c1Br 157923080 DCGPQCGBTHZKON-UHFFFAOYSA-N 479.025 6.150 50 10 JKGE COc1cc(Cl)c([C@@H](Br)c2cccc(I)c2)cc1Cl 166999895 DGQRVBFBUIPQLE-AWEZNQCLSA-N 471.947 6.091 50 10 JKGE CCOC(=O)/C(C#N)=C\c1cccc(OC(=O)/C=C\c2ccc(OCc3ccccc3)c(OC)c2)c1 206687994 OLRYCKIIOAAAFM-ATONPSLQSA-N 483.520 5.363 50 10 JKGE OCc1cc(Cc2ccccc2)cc(SSc2cc(Cc3ccccc3)cc(CO)c2O)c1O 206704383 HSELNNDMGFPFSE-UHFFFAOYSA-N 490.646 6.063 50 10 JKGE CCOc1cc(/C=C(/C#N)C(=O)Nc2cccc([N+](=O)[O-])c2)ccc1OCc1ccccc1F 207053384 ZHDBOBAFEBZOFK-UNOMPAQXSA-N 461.449 5.257 50 10 JKGE Cc1ccc(N/C=C(/C#N)C(=O)Nc2ccccc2Sc2ccccc2)c(Br)c1 217243942 NAQPWIUPVADBLT-ICFOKQHNSA-N 464.388 6.367 50 10 JKGE COc1ccc([C@@H](Br)c2ccc(I)c(Cl)c2)cc1C 232343535 PHTNAJZRXXTJBU-OAHLLOKOSA-N 451.529 5.746 50 10 JKGE CCC(=NNC(=O)c1cc(-c2ccc(CC)cc2)nc2c(Cl)cccc12)c1ccc([C@@H](C)CC)cc1 254697956 DXZVDMLQONXKDZ-FQEVSTJZSA-N 498.070 8.175 50 10 JKGE CCn1c(SCC(=O)NN=C/C(Cl)=C/c2ccccc2)nnc1-c1ccc(C(C)(C)C)cc1 254734195 DZVSCSOMXCELSB-GGWIWSIYSA-N 482.053 5.737 50 10 JKGE CCC(=NNC(=O)c1cc(-c2ccc(OC(C)C)cc2)nc2ccc(C)cc12)c1cc(O)ccc1O 254907051 WUHGZTXIGXFBEU-UHFFFAOYSA-N 483.568 5.953 50 10 JKGE CCc1ccc(O[C@@H](C)C(=O)NN=Cc2ccc(OCc3ccccc3Cl)c(OC)c2)cc1 256018498 MUKUOFVVEKIBQP-SFHVURJKSA-N 466.965 5.408 50 10 JKGE BrCc1c(I)ccc2sc(I)cc12 307524293 FRWNCGPQRNURQL-UHFFFAOYSA-N 478.918 5.005 50 10 JKGE CN(C[C@H]1CCN(Cc2ccccc2)C1)c1ccc(CBr)c(Br)c1 383139756 TUSJZUMBXBJFTM-QGZVFWFLSA-N 452.234 5.302 50 10 JKGE C[C@H](Cl)c1nc2cc(Br)c(F)cc2n1[C@H]1C[C@H](C)N(Cc2ccccc2)C1 398212247 PVXFDAZBRRULNC-DZKIICNBSA-N 450.783 6.073 50 10 JKGE CCCCN=c1[nH]c2ncc(Br)c-2c(C2CCC(O[Si](C)(C)C(C)(C)C)CC2)[nH]1 642882928 SFJIIHRFFUNWSB-UHFFFAOYSA-N 481.555 6.354 50 10 JKGE COCc1cc(Br)c([C@@H](Br)c2nscc2Br)s1 688090453 QKKTYRLIFUFUGC-QMMMGPOBSA-N 462.026 5.360 50 10 JKGE Cc1cc(OCc2ccccc2)ccc1-n1c(CCl)nc2cc(I)ccc21 691033573 JFYKLISVBYVCIV-UHFFFAOYSA-N 488.756 6.256 50 10 JKGE Oc1nc2ccc([C@@H](Br)c3scc(Br)c3Br)cc2o1 707833340 CKEMWIPUDUTRAD-SECBINFHSA-N 467.964 5.604 50 10 JKGE C[C@H](Sc1ccc(Cl)cc1)C(=O)NN=Cc1ccc(OCc2ccc3ccccc3c2)cc1 1084298170 FXYITKKMRAYAJC-IBGZPJMESA-N 475.013 6.703 50 10 JKGE CCOc1cc(C=NNC(=O)c2ccc(Cl)cc2Cl)ccc1OC(=O)c1ccc(C)cc1 1084477817 ACNVBVXQSCOGDG-UHFFFAOYSA-N 471.340 5.684 50 10 JKGE COc1cc(C=NNC(=O)CSc2ccc(C)cc2)ccc1OCc1ccc(Cl)cc1 1772756344 VKXLDDOZOJMVRS-UHFFFAOYSA-N 454.979 5.478 50 10 JKGE N#CC1=C(N)Oc2c(c(-c3ccccc3)nn2-c2ccccc2Cl)[C@H]1c1ccc(Cl)c(Cl)c1 1865685089 FIWLOWPMSNMPOB-NRFANRHFSA-N 493.781 6.718 50 10 JKGE CCOc1ccc([C@H]2C(C#N)=C(N)Oc3c2c(C)nn3-c2cccc3ccccc23)cc1OCC 1865689393 RDJHMHFPCLARTE-SANMLTNESA-N 466.541 5.350 50 10 JKGE CCCOc1ccccc1[C@H]1C(C#N)=C(N)Oc2c1c(-c1ccccc1)nn2-c1ccc(Cl)cc1 1865703036 LJGXWVNRHHWRLI-DEOSSOPVSA-N 482.971 6.200 50 10 JKGE CCc1nn(Cc2c(F)cccc2Cl)c2c1[C@@H](c1ccc(Cl)c([N+](=O)[O-])c1)C(C#N)=C(N)O2 1865706532 YSLNGWIJPPBNNC-IBGZPJMESA-N 488.306 5.066 50 10 JKGE COc1ccc(-c2nn(-c3cccc4ccccc34)c3c2[C@@H](c2cccc(C)c2)C(C#N)=C(N)O3)cc1 1865710559 BOKYDLSDXQPAQN-MHZLTWQESA-N 484.559 6.228 50 10 JKGE CSCC[C@@H](NC(=O)/C(C)=C/c1cccc(Cl)c1)C(=O)Nc1ccc(SC#N)cc1 1866820737 WNIGJLGZPDWTON-IZLCOFNUSA-N 460.024 5.193 50 10 JKGE CC(C)(C)c1nc(C(=O)N[C@H](Cc2ccccc2)C(=O)Nc2ccc(SC#N)cc2)c2ccccn12 1866875707 UCOCDKHBXMLJCG-JOCHJYFZSA-N 497.624 5.185 50 10 JKGE COc1ccc(-c2coc3cc(OCc4ccc(CCl)cc4)c(OC)cc3c2=O)cc1OC 1871437022 WUOUGKZPCHYLCT-UHFFFAOYSA-N 466.917 5.804 50 10 JKGE CCc1cccc(CC)c1N1C[C@H](/C(O)=C(\C#N)c2nc(-c3ccccc3OC)cs2)CC1=O 1872747236 UBRJFXZTMQTVHL-LDIFMVGESA-N 473.598 5.789 50 10 JKGE C[C@@H](Oc1ccc(Cl)cc1)/C(O)=C(\C#N)c1nc(-c2ccc(Cl)c(Cl)c2)cs1 1872749488 SYBTUNGOXUNGFV-QNPMFDGYSA-N 451.762 7.030 50 10 JKGE Cc1cc(-c2csc(/C(C#N)=C(O)/C=C/c3ccc(OCc4ccccc4)cc3)n2)ccc1F 1872749762 HKLVVMXTVGAIOZ-YPTBCXIQSA-N 468.553 7.343 50 10 JKGE COc1c(C)cc(Cl)cc1-c1csc(/C(C#N)=C(\O)c2cccc(OCC(C)C)c2)n1 1872757040 NWZMXLVDGRUWMY-XDOYNYLZSA-N 454.979 6.765 50 10 JKGE CCOc1cc(/C=C(\C#N)c2nc(-c3ccc4c(c3)OCCO4)cs2)cc(Br)c1O 1872791343 FDARXJFTIHOQEB-VIZOYTHASA-N 485.359 5.512 50 10 JKGE COc1c(Cl)cc(Cl)cc1-c1csc(/C(C#N)=C/c2ccc(Cl)c([N+](=O)[O-])c2)n1 1872792567 FYARDTGDWXYFAE-NYYWCZLTSA-N 466.733 6.751 50 10 JKGE COc1cccc(/C=C(\C#N)c2nc(-c3cc(C)cc(C)c3OC)cs2)c1OCc1cccc(C)c1 1872792610 ICSDKSZUCRKWEN-BUVRLJJBSA-N 496.632 7.396 50 10 JKGE CC(C)(C)OC(=O)N1CCC[C@H]1C(=O)N/N=C/c1cccc(OCc2c(Cl)cccc2Cl)c1 1873795091 RFHQGWNJVKUNPP-XYGFXTTESA-N 492.403 5.422 50 10 JKGE CC(C)[C@H](Cc1ccc(I)c(Br)c1)[C@H](C)Br 1904322578 QSGDDVSXVDJOBA-ONGXEEELSA-N 459.991 5.652 50 10 JKGE O=C(c1cc(Br)cc([N+](=O)[O-])c1)N(Cc1ccccc1)[C@H](CBr)C1CC1 1915266232 XAPAPWUYHNALRN-GOSISDBHSA-N 482.172 5.173 50 10 JKGE CC(C)[C@@H](CBr)N(Cc1ccccc1)C(=O)c1cc(Cl)ccc1Br 1915298102 OWWMNVMAAWXHSR-GOSISDBHSA-N 473.636 6.164 50 10 JKGE CN(C[C@H](Br)COCc1ccccc1)c1nccc2c(Br)cccc12 1916333810 YIWVAVLMKVTYFU-INIZCTEOSA-N 464.201 5.414 50 10 JKGE C[C@@H]1C[C@@H]1[C@@H]1C[C@@H]1[C@@H](Br)c1c(Br)sc(Br)c1Cl 1923060922 GQGYXLYYXZSZQZ-LFRCOYDSSA-N 463.460 6.655 50 10 JKGE C[C@@H](c1ccncc1Br)[C@@H](Br)c1ccc(OCc2ccccc2)cc1 1924043426 LKCBVALCSZINOW-YCRPNKLZSA-N 461.197 6.663 50 10 JKGE Clc1cc([C@@H](Br)Cc2ccncc2Br)ccc1Br 1924054353 ZJHLVCGBEMTJTL-NSHDSACASA-N 454.387 5.939 50 10 JKGE Clc1cc(Br)c([C@H](Cl)c2sccc2I)s1 1933589695 QYRHLAAPJNGWDE-ZETCQYMHSA-N 453.979 6.158 50 10 JKGE C[C@@H]1[C@H]([C@H](Br)c2c(Br)sc(Br)c2Br)[C@@H]1C 1959037573 KRTUVOLRWKQCFV-RULRNXASSA-N 481.873 6.374 50 10 JKGE Cc1c(Br)ccc([C@@H](Br)C2CC(Br)C2)c1Br 1994122104 IMTIGCOSWARJJQ-TYAJBCFHSA-N 475.844 6.130 50 10 JKGE Cc1cc(C)c(C)c([C@H](Br)c2cc(Br)sc2Br)c1 2082913913 HRCGWQWZZFISKR-ZDUSSCGKSA-N 453.037 6.683 50 10 JKGE Fc1c(Br)cccc1[C@H](Cl)c1ccc(Br)cc1Br 2083330679 RMBQXVUICMJLSS-GFCCVEGCSA-N 457.362 6.441 50 10 JKGE C[C@]1(C(F)(F)F)C[C@@H]1[C@H](Br)c1ccc(Br)cc1Br 2083331447 ZGZUGDNPPHVYDV-IEBDPFPHSA-N 450.918 6.236 50 10 JKGE COc1cc(F)c(Cl)cc1[C@@H](Br)c1csc(I)c1 2086231804 WYWJMKIMQFSJGJ-LBPRGKRZSA-N 461.521 5.638 50 10 JKGE ClC[C@H](Cc1cccc(Br)c1Br)c1ccc(Br)cc1 2092333632 BNUURUJLVTZILG-LBPRGKRZSA-N 467.426 6.539 50 10 JKGE Fc1cccc(OCc2cc(Cl)ccc2I)c1CBr 2104507827 SLRXSPHFAPSSMN-UHFFFAOYSA-N 455.492 5.558 50 10 JKGE BrCc1cc(Br)c(OC[C@H]2CCC3(CC3)C2)c(Br)c1 2112617033 XOFXIYLWKNGBJA-JTQLQIEISA-N 453.012 6.066 50 10 JKGE Cc1cc(Br)c([C@@H](Cl)c2c(Cl)cccc2Br)cc1Br 2113159258 PZOKJEYJRFBWMH-CQSZACIVSA-N 487.844 7.264 50 10 JKGE C[C@@H]1Cc2cc(Br)cc([C@H](Cl)c3cc(I)sn3)c2O1 2120029292 NIEJFWHVLZJLKU-INWYIAFRSA-N 470.557 5.162 50 10 JKGE O=S(=O)(c1ccc(CBr)cc1Cl)N(Cc1ccccc1)Cc1cccs1 2123200282 FZLIKYLGLKBALR-UHFFFAOYSA-N 470.841 5.688 50 10 JKGE CO[C@@H]1CCC[C@@H]([C@@H](Br)c2cc(Br)c(C)cc2Br)C1 2126395173 OZYNGRCXLDWIFN-UEKVPHQBSA-N 455.028 6.161 50 10 JKGE C[C@H](c1nscc1Br)N(C)c1ccc(Br)cc1CBr 2130031639 NBJBSUYBRNFVNM-MRVPVSSYSA-N 469.040 5.760 50 10 JKGE Cc1cc(Br)c(C)c([C@H](Br)[C@H]2C[C@H]2C(C)(F)F)c1Br 2136369937 GWPAQVFJVFCUCI-IGJMFERPSA-N 460.982 6.556 50 10 JKGE Cc1cc(Br)c(C)c([C@@H](Br)CCOCC(F)F)c1Br 2136379657 MSQXPCYRVMYJCK-VIFPVBQESA-N 464.970 5.936 50 10 JKGE Cn1nc([C@@H](Br)c2c(Br)cc(F)c(Cl)c2F)cc1Br 2136962202 SUFAIYOKXRBSEP-SECBINFHSA-N 479.344 5.361 50 10 JKGE COc1cc(Cl)c([C@@H](Br)c2cc(Br)sc2C)cc1Br 2137658560 XPTNAVJWYQZKCL-ZDUSSCGKSA-N 489.454 6.728 50 10 JKGE Clc1cc(CN2CC[C@@H]3C[C@@H](Br)CC[C@@H]32)ccc1I 2142948823 DVBIXWZEYWARIF-XUJVJEKNSA-N 454.577 5.083 50 10 JKGE O=C(c1cccc(Br)c1Br)N1CCC[C@@H](CCBr)CC1 2149749790 YFSXROLJBMGZGS-NSHDSACASA-N 468.027 5.239 50 10 JKGE BrCc1cc(Br)c(OC[C@]23CCC[C@H]2CCO3)c(Br)c1 2152940227 BMNZHRJBAORLNK-XHDPSFHLSA-N 469.011 5.445 50 10 JKGE Cc1cc(Br)c(C)c([C@H](Br)C2CC3(CCOC3)C2)c1Br 2201070719 ZHMJTUVOGMKPJQ-YWCUFVOSSA-N 467.039 6.081 50 10 JKGE Cc1c(Br)ccc([C@@H](Br)C[C@H](C(F)F)C(C)(C)C)c1Br 2203702961 HBSNSBXQGDIIDL-PWSUYJOCSA-N 477.025 7.274 50 10 JKGE C[C@@H](Cl)c1nc2ccc(F)c(Cl)c2n1CCCN(Cc1ccccc1)Cc1ccccc1 2220280397 YPBZMGGOMGMDCC-LJQANCHMSA-N 470.419 7.221 50 10 JKGE Fc1ccc(Br)c([C@@H](Cl)c2cc(Br)c(Br)cc2F)c1 2225635764 XJTQXNAWCROIRY-CYBMUJFWSA-N 475.352 6.581 50 10 JKGE Clc1cc(Br)c([C@@H](Br)[C@H]2[C@H]3CCCCC[C@H]32)c(Cl)c1Cl 2232509637 DTCQPGSUKCASDI-XXEYQXHCSA-N 461.452 7.672 50 10 JKGE Cc1ccc([C@H](Br)c2c(Br)cc(C)c(Cl)c2C)cc1Br 2232527980 GADHXEMCYIQWET-HNNXBMFYSA-N 481.453 7.275 50 10 JKGE Cc1cc(Br)c([C@@H](Br)C23CCOC(C)(C2)C3)c(C)c1Br 2235602621 ZXOQWASAXKDWEB-QQFBHYJXSA-N 467.039 6.224 50 10 JKGE Fc1ccc([C@H](Cl)c2ccc3c(c2Br)CCO3)c(I)c1 2238070881 ISCMKAQOTVAZGM-HNNXBMFYSA-N 467.503 5.456 50 10 JKGE O=C(Nc1ccc(Cl)cc1CBr)c1ccc(I)c(Cl)c1 2239647587 TUFJFNSSNCANSZ-UHFFFAOYSA-N 484.946 5.745 50 10 JKGE Fc1ccc2c(c1)nc(CCl)n2-c1ccc(Br)cc1I 2239999545 MPNXUUYWCDRMCS-UHFFFAOYSA-N 465.491 5.271 50 10 JKGE CC(C)(C)OC(=O)NC[C@](C)(CI)OCC[C@@H]1CCCCC12CC2 2246627648 SGFBNLJBWFGWCO-YJBOKZPZSA-N 451.389 5.082 50 10 JKGE COc1ccc(Cl)cc1[C@@H](Br)c1c(F)cccc1I 2267737500 HCVCKMGKPBZORP-CQSZACIVSA-N 455.492 5.577 50 10 JKGE Brc1cc2c(c([C@@H](Br)c3cocc3Br)c1)OCCC2 2270486710 CMUGWENSGDRQLL-CYBMUJFWSA-N 450.952 5.614 50 10 JKGE CC(C)CN(C[C@H](C)Br)C(=O)c1cc(Br)ccc1Br 2272427715 DMELDKLEWBSYPC-JTQLQIEISA-N 456.016 5.093 50 10 JKGE CC(C)(C)C(C)(C)[C@H](Br)c1c(F)cc(Br)c(F)c1Br 2272737468 CLZFPQVTVJYNDM-GFCCVEGCSA-N 462.998 6.998 50 10 JKGE Fc1cc(Br)c(F)c(Br)c1[C@@H](Br)CC(F)(F)C(F)F 2272844198 VJQNRPHUFLISRN-BYPYZUCNSA-N 478.850 6.216 50 10 JKGE COc1cc(Cl)c(Cl)cc1[C@H](Br)c1c(Cl)cccc1Br 2279056346 MHNOMWOFFFVXQN-AWEZNQCLSA-N 459.392 6.902 50 10 JKGE COc1ccc([C@H](Cl)c2ccc(Br)c(Cl)c2)c(Br)c1Cl 2283554100 MYHACJRQIXPOOT-CYBMUJFWSA-N 459.392 6.855 50 10 JKGE COc1ccc([C@@H](Br)c2c(F)cccc2Br)c(Br)c1Cl 2283555719 UXKCOULPSHYVTE-GFCCVEGCSA-N 487.388 6.497 50 10 JKGE COc1ccc([C@H](Br)[C@@]23CCCC[C@@H]2OCC3)cc1I 2284997584 HFYUBLIGLKTUGG-HRCADAONSA-N 451.142 5.085 50 10 JKGE C=CC[C@]1(CBr)CCCCN1Cc1c(Br)cccc1Br 2287720862 DUXBLKZIRKLZJY-MRXNPFEDSA-N 466.055 5.907 50 10 JKGE Fc1cccc(Cl)c1C[C@H](Br)c1cc2sc(Br)cc2s1 2295509946 SYCJZYZGARZZEH-QMMMGPOBSA-N 454.611 7.197 50 10 JKGE N#CC(=CNc1ccccc1OC(F)(F)[C@@H](F)Cl)c1nc(-c2cccc([N+](=O)[O-])c2)cs1 2295948564 LLTPCLKVQJZCOY-LJQANCHMSA-N 480.855 6.201 50 10 JKGE Cc1cc(Br)ccc1NC=C(C#N)c1nc(-c2cc3ccccc3oc2=O)cs1 2296800618 JMLWGPMAZOQXIR-UHFFFAOYSA-N 464.344 5.964 50 10 JKGE CCc1ccc(NC(SCc2cccc(F)c2)=C(C#N)C(=O)NCc2ccc3c(c2)OCO3)cc1 2297414606 XFETWBAEJLSRSX-UHFFFAOYSA-N 489.572 5.514 50 10 JKGE N#CC(=Cc1ccc(OCc2cccc3ccccc23)cc1)C(=O)Nc1nc2ccccc2s1 2297500274 XATXZILLWBKHKW-UHFFFAOYSA-N 461.546 6.574 50 10 JKGE Cc1c(C(=O)N(C)C)sc(NC(=O)C(C#N)=Cc2ccc(-c3ccccc3Cl)o2)c1C#N 2297502386 YPQYUIWWXIYGKT-UHFFFAOYSA-N 464.934 5.089 50 10 JKGE C[C@@H]1CCO[C@H]1C[C@H](Br)c1ccc(OCc2ccccc2)cc1Br 2299489145 MVJVMGLYJQODAX-UAOJZALGSA-N 454.202 6.279 50 10 JKGE Brc1ccc(OCc2ccccc2)c([C@@H](Br)[C@@H]2CC[C@@H]3C[C@@H]3C2)c1 2299504843 QNCRNSQIMYSDNW-LHUKNYEISA-N 450.214 6.900 50 10 JKGE COc1cc(C=C(C#N)C(=O)Nc2ccc(F)cc2)ccc1OCc1cccc2ccccc12 2313540559 HVCUQWXCKMMXHG-UHFFFAOYSA-N 452.485 6.112 50 10 JKGE CCC[C@@H](CC(C)C)[C@H](Br)c1cc(Br)ccc1OCc1ccccc1 2314451147 CCMMUKMHCFCDSM-AVRDEDQJSA-N 468.273 7.927 50 10 JKGE COCc1csc([C@H](Br)c2cc(Br)ccc2OCc2ccccc2)c1 2314452868 RDHKZXCZDLHLNX-HXUWFJFHSA-N 482.237 6.720 50 10 JKGE COc1ccccc1Oc1nc2c(C)cccn2c(=O)c1C=C(C#N)C(=O)Nc1ccccc1Cl 2314533684 TYIQNQFSYSJIND-UHFFFAOYSA-N 486.915 5.003 50 10 JKGE COc1ccc(CCN2C(=O)C(=Cc3ccc(OCc4ccc(C)cc4)cc3)C(C)=C(C#N)C2=O)cc1 2314620342 NOFDQYWBCCXONB-UHFFFAOYSA-N 492.575 5.418 50 10 JKGE CCCOc1ccccc1C=C(C#N)C(=O)Nc1sc(C(=O)OC(C)C)c(C)c1C(=O)OCC 2314774192 WZHYRJVYAXSMAD-UHFFFAOYSA-N 484.574 5.133 50 10 JKGE CC(C)(C)[C@@H]1CC[C@H]1[C@@H](Br)c1ccc(OCc2ccccc2)cc1Br 2320103354 LSLAQTGFSKBQQY-YFVAEKQCSA-N 466.257 7.536 50 10 JKGE Cc1nc(-c2ccc(Cl)cc2Cl)ccc1C(=O)NNC(=O)C=Cc1ccc(C(C)C)cc1 2321143218 FFLGCPQOXINDHE-UHFFFAOYSA-N 468.384 5.962 50 10 JKGE COc1ccccc1OCC(=O)NN=Cc1ccc(OCc2ccc(Cl)cc2Cl)c(OC)c1 2321706260 HCDRUUXWADAUKB-UHFFFAOYSA-N 489.355 5.119 50 10 JKGE CCOc1cc(C=NNC(=O)Cc2ccc(OC)cc2)ccc1OCc1ccccc1Cl 2323331841 RYLIOWBHJZESSE-UHFFFAOYSA-N 452.938 5.019 50 10 JKGE N#CC(=CNc1ccc(I)cc1)C(=O)NC(c1ccccc1)c1ccccc1 2324834515 OWZOJKHCDIFENP-UHFFFAOYSA-N 479.321 5.016 50 10 JKGE COc1cccc(C=NNC(=O)CCCCCNC(=O)OC(C)(C)C)c1OCc1cccc(C)c1 2328835335 SJEWWLCQKLWZLF-UHFFFAOYSA-N 483.609 5.118 50 10 JKGE COc1ccc(OC)c(C=CC(O)=C(C#N)c2nc(-c3cc(Cl)c(OC)cc3OC)cs2)c1 2331378667 NXORAQRFHUAZKD-UHFFFAOYSA-N 484.961 6.004 50 10 JKGE CC(C)(C)c1ccc(OCCCC(O)=C(C#N)c2nc(-c3ccc(Cl)s3)cs2)cc1 2331402030 HADHBIQPNIUDHK-UHFFFAOYSA-N 459.036 7.474 50 10 JKGE Cn1nc(Br)c(Br)c1[C@@H](Br)c1ccc(C(C)(C)C)s1 2338723570 YPAMQFKEXBGIOF-VIFPVBQESA-N 471.056 5.788 50 10 JKGE CC(C)(C)c1ccc([C@H](Br)c2sc(Cl)cc2I)cc1 2338773111 KJHIJGJPKBJZQJ-ZDUSSCGKSA-N 469.613 6.788 50 10 JKGE Cc1cc(CCl)ccc1OCc1cc(I)ccc1Br 2341781633 WSZNQZKUNPTUDA-UHFFFAOYSA-N 451.529 5.680 50 10 JKGE Fc1cc(Cl)c(Br)c(Cl)c1[C@H](Br)CCOCC(F)(F)F 2360422948 JZFGOBRLVMDBHN-RXMQYKEDSA-N 462.890 6.300 50 10 JKGE FC(F)(F)C1([C@H](Cl)c2ccc(OCc3ccccc3)cc2Br)CCCCC1 2361174543 YHEBOUYHFIYHCV-LJQANCHMSA-N 461.749 7.821 50 10 JKGE CCC[C@@H](CC(C)C)[C@H](Br)c1c(Cl)cc(Br)c(F)c1Br 2362220097 FAQLHZOFZXDDOZ-ZANVPECISA-N 493.480 7.903 50 10 JKGE Clc1ccc(CN2C[C@@H]3CCCC[C@@]3(CBr)C2)cc1I 2362375306 IRCTUMFHRXXCGQ-XJKSGUPXSA-N 468.604 5.332 50 10 JKGE Clc1ccc(CN2C[C@@H](CBr)C3(CCCC3)C2)cc1I 2362382762 IPZFLJOJUFSPTN-CYBMUJFWSA-N 468.604 5.332 50 10 JKGE CCCOc1ccc([C@H](Br)c2c(Br)ncn2C)cc1Br 2362433405 MOSBDTBYCMPTQE-LBPRGKRZSA-N 466.999 5.218 50 10 JKGE Cc1nc(Br)c([C@@H](Cl)c2scc(C(F)(F)F)c2Br)n1C 2362439430 CYGROXOUGPJJJT-SSDOTTSWSA-N 452.521 5.662 50 10 JKGE Fc1ccc(C(F)F)c([C@@H](Br)c2c(Cl)sc(Br)c2Cl)c1 2363674957 BVHAIAIUOIKVAX-MRVPVSSYSA-N 468.947 7.378 50 10 JKGE CCCOC1([C@H](Br)c2c(C)cc(Br)c(OC)c2Br)CC1 2365193624 JRUIQGZVASBFGV-CQSZACIVSA-N 471.027 5.924 50 10 JKGE COc1c(Br)cc(C)c([C@@H](Br)c2scc(C)c2C)c1Br 2365198262 ZDCLJCWJODBESA-CYBMUJFWSA-N 483.063 6.691 50 10 JKGE Cl[C@@H]1CC[C@H]2CCN(Cc3ccc(I)c(Br)c3)C[C@H]2C1 2377352908 DSCMLUJLFWGFGX-BFHYXJOUSA-N 468.604 5.283 50 10 JKGE CC[C@H]1CCCCN1C(=O)CS/C(Nc1ccccc1F)=C(/C#N)c1nc2ccccc2s1 5949867 BHBXRKZONOAYDG-BMCXAMSBSA-N 480.634 6.264 50 10 JKGE N#C/C(=C/c1ccc(OC(=O)c2cc(C(F)(F)F)cc(C(F)(F)F)c2)cc1)c1ccc(Cl)cc1 31901318 ZTJMNHTWJIYOBS-MFOYZWKCSA-N 495.806 7.661 50 10 JKGE COc1ccc(-c2nn(-c3ccccc3)cc2/C=C(/C#N)C(=O)N[C@H](C)c2ccccc2)cc1C 33574676 GKHBXLDXLXEPNM-ZALQFNEYSA-N 462.553 5.641 50 10 JKGE CCCOc1cccc(C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@@H]3c2ccc(SC)cc2)c1 38682520 QXEHWLARGUZDPG-RUZDIDTESA-N 472.566 5.635 50 10 JKGE CCc1ccc2oc(C(=O)Oc3ccc4c(c3)OC(N)=C(C#N)[C@@H]4c3cccs3)c(C)c2c1 38688418 BFFVSWRPJXWCMK-HSZRJFAPSA-N 456.523 5.803 50 10 JKGE N#C/C(=C\c1ccc(-c2ccc(Cl)cc2Cl)o1)c1nc(-c2ccc(Cl)cc2)cs1 39885004 BRMWPMGHYMFYQI-NTEUORMPSA-N 457.769 8.094 50 10 JKGE COc1cc(/C=C(\C#N)C(=O)NC(C)C)ccc1OC(=O)CCCOc1ccc(C(C)C)c(C)c1 54624884 PWYRGLVLCGCGMG-PXLXIMEGSA-N 478.589 5.323 50 10 JKGE O=C(COc1ccc(Cl)cc1)N/N=C/c1ccc(Sc2nc3ccc([N+](=O)[O-])cc3s2)o1 59391565 PDEQYINEDYYDCE-LSHDLFTRSA-N 488.934 5.131 50 10 JKGE Cc1cccc(C(=O)Nc2ccc(C(=O)NNC(=O)[C@@H](C)c3ccc(CC(C)C)cc3)cc2)c1 66199271 KIXWWADVPJVTCC-FQEVSTJZSA-N 457.574 5.011 50 10 JKGE C1=C[C@H]2C[C@H]1[C@H](P(c1ccccc1)c1ccccc1)[C@@H]2P(c1ccccc1)c1ccccc1 100023001 CDJHPMXMJUCLPA-WWPKSBKISA-N 462.513 6.195 50 10 JKGE COc1ccc([C@H](Br)c2ccc(F)cc2Br)cc1Br 109834120 AUWXMJMWMHTAPE-AWEZNQCLSA-N 452.943 5.844 50 10 JKGE COc1cc(C)c(Br)cc1[C@@H](Cl)c1csc(I)c1 124445102 FNAKBLKZBZBQPH-ZDUSSCGKSA-N 457.558 5.760 50 10 JKGE Cc1cc(Br)c([C@H](Br)c2cc(F)ccc2C)cc1Br 128752922 UTFKJKSDXJVZIZ-OAHLLOKOSA-N 450.971 6.452 50 10 JKGE CC1=C(C#N)C(=O)N(Cc2ccc(C)cc2)C(=O)/C1=C\c1ccc(OCc2ccc(F)cc2)cc1 214382723 HZKXYLWNBXZREI-YSMPRRRNSA-N 466.512 5.506 50 10 JKGE Cc1cc(Br)c([C@H](Br)c2cccc(C)c2I)s1 235822493 AKZOWSCXYHNXMM-LLVKDONJSA-N 486.010 6.216 50 10 JKGE Cc1cc(Cl)c([C@H](Cl)c2cc(I)ccc2Br)cc1C 235845486 GLMLBEWWPIWLLE-OAHLLOKOSA-N 469.975 6.652 50 10 JKGE Clc1ccc(Cl)c([C@@H](Br)c2ccc(Br)cc2Br)c1 236060253 ARFSMKKOLMSGQC-ZDUSSCGKSA-N 473.817 7.003 50 10 JKGE Fc1cc(Br)c(Cl)cc1[C@@H](Br)c1cc(Cl)cc(Br)c1 236225835 WEGFSYCGBUDVHX-ZDUSSCGKSA-N 491.807 7.142 50 10 JKGE CN([C@H]1CCCC[C@H]1Br)S(=O)(=O)c1c(Cl)cc(Br)cc1Cl 252922901 JBRPUIKZHSJKHW-SKDRFNHKSA-N 480.049 5.083 50 10 JKGE CC(=NNC(=O)[C@@H]1COc2ccccc2O1)c1ccc2c(c1)[C@@H]1C=CC[C@@H]1[C@H](c1ccccc1)N2 254876232 MDEVGSRYRLSVOE-HDYVOGQZSA-N 465.553 5.193 50 10 JKGE Clc1cc([C@H](Cl)c2cc3c(cc2Br)OCC3)ccc1I 308436294 OLUBKXJUEHDOGE-HNNXBMFYSA-N 483.958 5.970 50 10 JKGE Cc1cc(C)c([C@@H](Cl)c2sccc2I)c(C)c1Br 311219061 NMUKCRQTLIRGKI-CYBMUJFWSA-N 455.586 6.369 50 10 JKGE Clc1ccc(C(CBr)(CBr)CCCOCc2ccccc2)cc1 381964570 ICTRHYJIULENQH-UHFFFAOYSA-N 460.637 6.365 50 10 JKGE Clc1ccc(Br)cc1[C@H]1CN(Cc2ccccc2)C[C@@H]1CI 382689254 LMGOMAMWSLSKCJ-YOEHRIQHSA-N 490.610 5.753 50 10 JKGE CC(C)[Si](OC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC=C4CC(=O)CC[C@]4(C)[C@H]3CC[C@@]21C)(C(C)C)C(C)C 605696414 YGIHNOOJRCPWAC-OLEFNNLGSA-N 486.857 8.963 50 10 JKGE in-vitro CC(C)(C)OC(=O)NCCN1CCCC[C@H](c2ccccc2CO[Si](C)(C)C(C)(C)C)C1 616603806 WSWWRKFUOKYEDX-NRFANRHFSA-N 462.751 6.303 50 10 JKGE CC(C)(C)OC(=O)Nc1ccccc1[C@H]1c2ccccc2CCN1CCO[Si](C)(C)C(C)(C)C 616678835 NBIRQWMRGMOIGY-RUZDIDTESA-N 482.741 7.003 50 10 JKGE CC(C)(C)OC(=O)N1C[C@H](c2ccc(CCO[Si](C)(C)C(C)(C)C)cc2)Nc2ccccc21 616679513 GDMCJAHWKBILBV-HSZRJFAPSA-N 468.714 7.159 50 10 JKGE CC(C)(C)[Si](C)(C)OCCc1cccc([C@@H]2c3ccccc3CCN2Cc2ccccc2)c1 616680659 OKRZFCSWNJLZES-GDLZYMKVSA-N 457.734 7.399 50 10 JKGE COCc1cc(Br)c([C@H](Br)c2ccc(Br)s2)s1 688079190 NCYDTCXSNSEXDY-SNVBAGLBSA-N 461.038 5.965 50 10 JKGE O=C(NC[C@@H](Br)c1ccccc1)c1scc(Br)c1Br 705420010 QBEUELJLYWMATA-SECBINFHSA-N 468.008 5.139 50 10 JKGE Fc1cc(F)c(F)c([C@@H](Br)c2scc(Br)c2Br)c1F 705477180 SFGPRJZEWCBJDA-MRVPVSSYSA-N 482.916 6.314 50 10 JKGE Fc1cccc(Cl)c1C[C@@H](Br)c1scc(Br)c1Br 705493160 SBSDGEXOAQGEPZ-SSDOTTSWSA-N 477.418 6.744 50 10 JKGE BrCC(CBr)(Cc1ccc(Br)cn1)C1CCCCC1 711287333 SQHBQSSTAGDQEP-UHFFFAOYSA-N 454.044 5.743 50 10 JKGE CN(CC1CCN(Cc2ccccc2)CC1)c1cccc(Br)c1CBr 720017163 RJIJLDASEREWKL-UHFFFAOYSA-N 466.261 5.692 50 10 JKGE CCOc1cc(/C=C(/C#N)C(=O)Nc2ccc(OC)cc2)cc(Cl)c1OCc1ccc(F)cc1 1084042991 NUGGVCKBOYSDJQ-UNOMPAQXSA-N 480.923 6.011 50 10 JKGE Cc1c(C=NNC(=O)c2cc3cc(Br)ccc3o2)c2ccccc2n1Cc1ccccc1 1084349071 GBNBGGSNAFPQQT-UHFFFAOYSA-N 486.369 6.271 50 10 JKGE COc1cc(C=NNC(=O)c2ccc(Cl)cc2)ccc1OCc1ccc(Br)cc1 1084388563 YWFUVHHEZANAKJ-UHFFFAOYSA-N 473.754 5.454 50 10 JKGE C=CCc1cc(/C=C(\C#N)C(=O)Nc2ccc(C)cc2)cc(OC)c1OCc1ccccc1F 1084583841 DNCIVCRPGINSEW-HZHRSRAPSA-N 456.517 5.996 50 10 JKGE CCCCN1C(=O)C(=NNC(=O)c2cc(-c3ccccc3)nc3ccccc23)c2cc(OC)ccc21 1772720322 JRUOMRSPBGOKCO-UHFFFAOYSA-N 478.552 5.191 50 10 JKGE CCOc1ccccc1NC(=O)c1oc2c(c1C)C(=NNC(=O)c1ccccc1Cl)CCC2 1772743947 LXFBIMFMJAWSJQ-UHFFFAOYSA-N 465.937 5.363 50 10 JKGE COc1cc(C=NNC(=O)COc2ccc(Br)cc2C(C)(C)C)ccc1OC(C)C 1772754440 VVXHZGIYKCDTGQ-UHFFFAOYSA-N 477.399 5.072 50 10 JKGE COc1ccc(-c2nn(Cc3ccc(C)cc3)c3c2[C@@H](c2cccc(Cl)c2)C(C#N)=C(N)O3)cc1 1865683022 DCSYVVBBRXCRFJ-DEOSSOPVSA-N 482.971 5.787 50 10 JKGE CCCc1nn(-c2cccc(Cl)c2)c2c1[C@H](c1cccc(Br)c1)C(C#N)=C(N)O2 1865683803 IPVWSYLTGWZYDZ-LJQANCHMSA-N 469.770 5.459 50 10 JKGE CCOc1cccc([C@H]2C(C#N)=C(N)Oc3c2c(CC)nn3-c2ccc(Cl)c(Cl)c2)c1 1865690586 WEOIFHANUIJIRG-FQEVSTJZSA-N 455.345 5.358 50 10 JKGE CCCc1nn(-c2ccc(Cl)c(Cl)c2)c2c1[C@@H](c1ccc(CC)cc1)C(C#N)=C(N)O2 1865708980 KODLIAPLBAKCKX-NRFANRHFSA-N 453.373 5.912 50 10 JKGE CC(C)c1nc2c(Cl)cc(C(F)(F)F)cn2c1/C=N/NC(=O)CCCSc1ccccc1 1865761720 RTSIPBUPBHTLKN-KKMKTNMSSA-N 482.959 6.153 50 10 JKGE CCOC(=O)c1c(-c2ccc(C)cc2C)csc1NC(=O)/C(C#N)=C/c1ccc(OC)c(OC)c1 1866130431 UULWYUMNWGQBCX-XDHOZWIPSA-N 490.581 5.772 50 10 JKGE N#CSc1ccc(NC(=O)[C@H](Cc2ccccc2)NC(=O)CCCc2cccc(Cl)c2)cc1 1867126567 UADPPZLJDYGLRW-DEOSSOPVSA-N 478.017 5.602 50 10 JKGE C[C@@H](CC(=O)N[C@H](Cc1ccc(F)cc1)C(=O)Nc1ccc(SC#N)cc1)c1cccc(Cl)c1 1867173846 FZMNWLBUKFDWPJ-BXKMTCNYSA-N 496.007 5.912 50 10 JKGE Cc1ccccc1-c1nc(Nc2ccc(SC#N)cc2)cc(N2CCC(n3cnnc3C)CC2)n1 1868300613 GBXXQSOTQQCGCO-UHFFFAOYSA-N 482.617 5.510 50 10 JKGE COc1cc(/C=C2\Oc3c(ccc(OCc4cccc(CCl)c4)c3C)C2=O)cc(OC)c1OC 1871437034 GKOAFHLCGDTGCO-JJFYIABZSA-N 480.944 5.955 50 10 JKGE CCOC(=O)c1ccc(Oc2coc3cc(OCc4cccc(CCl)c4)ccc3c2=O)cc1 1871437466 ZHECXNDQDFJART-UHFFFAOYSA-N 464.901 6.080 50 10 JKGE COc1cc2nc(/C(C#N)=C/c3ccc(OC)c(OCc4ccc(C)cc4)c3)nc(O)c2cc1OC 1872727502 GCWBTMOMWSXDII-RGVLZGJSSA-N 483.524 5.313 50 10 JKGE N#C/C(=C(/O)CCCOc1ccc2ccccc2c1)c1nc(-c2cccc(Br)c2)cs1 1872746211 XWNYIYFXDKPKHN-GYHWCHFESA-N 491.410 7.378 50 10 JKGE CCOc1ccc(-c2csc(/C(C#N)=C(\O)c3cc(C(F)(F)F)cc(C(F)(F)F)c3)n2)cc1 1872747889 YFLCCPVHPBXCRZ-ZPHPHTNESA-N 484.421 7.196 50 10 JKGE COc1ccc(C(C)(C)C)cc1-c1csc(/C(C#N)=C(\O)CCCOc2ccc(Cl)cc2)n1 1872751573 NODZFPUSNGFQNA-LNVKXUELSA-N 483.033 7.421 50 10 JKGE COc1cc(Cl)c(C)cc1-c1csc(/C(C#N)=C(\O)COc2cc(C)c(Cl)c(C)c2)n1 1872757104 QPVRDYIMPUVKEH-JZJYNLBNSA-N 475.397 6.922 50 10 JKGE CCCOc1ccc(-c2csc(/C(C#N)=C/c3cc(Br)c(O)c(OCC)c3)n2)cc1 1872790912 LIPQOJFZZCKLCT-LICLKQGHSA-N 485.403 6.530 50 10 JKGE CC(C)(C)OC(=O)N[C@@H](Cc1ccccc1)C(=O)N/N=C/c1ccc(-c2ccccc2Cl)o1 1873793457 LVIWLHDBTNNERJ-WTFDWONZSA-N 467.953 5.186 50 10 JKGE Cc1cc([C@H](Br)c2cc(Br)cc3c2O[C@H](C)C3)oc1Br 1917604339 PWVKZDYZHICNSJ-AMIZOPFISA-N 464.979 5.921 50 10 JKGE CCc1occ(C)c1[C@@H](Br)c1sc(Br)c(C)c1Br 1922936026 UHVDVSUSQOYXQW-LLVKDONJSA-N 457.025 6.530 50 10 JKGE Cc1c(Br)sc([C@@H](Br)[C@H]2CC3CCC2CC3)c1Br 1922945397 FXBJDOAKQGJYKU-GZJRGEOXSA-N 457.069 6.844 50 10 JKGE Fc1cccc(C[C@@H](Cl)c2c(Br)sc(Br)c2Br)c1F 1924601687 YXTNYDCTCIQLPK-ZCFIWIBFSA-N 495.408 6.836 50 10 JKGE FC(F)C1([C@H](Cl)c2c(Br)sc(Br)c2Br)CC1 1924608911 PCCBTFDIKNMCCD-RXMQYKEDSA-N 459.375 6.361 50 10 JKGE CCc1sc(Br)cc1[C@@H](Br)c1ccc(I)cc1 1943034163 RGCRQNOQBRVNJF-ZDUSSCGKSA-N 486.010 6.162 50 10 JKGE COCCOCCN(Cc1ccccc1)c1cccc(Br)c1CBr 1946826281 KCKCTVJTJALKKP-UHFFFAOYSA-N 457.206 5.014 50 10 JKGE CC(C)[C@H](C)N(Cc1ccccc1)S(=O)(=O)c1cc(CBr)oc1Br 2009622164 NWLIXQVZAGOIHA-ZDUSSCGKSA-N 479.234 5.172 50 10 JKGE Cc1cc(Br)c([C@@H](Br)c2sc(Cl)cc2Br)cc1Cl 2036937938 BKJGCAJHKYHINW-LLVKDONJSA-N 493.873 7.373 50 10 JKGE Cc1cc(C(F)(F)F)ccc1-n1nc(CCl)c(I)c1C(F)(F)F 2079208568 TXVJBSFGIDHQPJ-UHFFFAOYSA-N 468.566 5.562 50 10 JKGE CC(C)(C)OC(=O)N1CCC[C@]2(CC[C@](C)(CI)O2)C12CCCCC2 2083790382 HUFOQBWMOMMTNY-QUCCMNQESA-N 463.400 5.463 50 10 JKGE FC(F)(F)c1ccc([C@H](Br)c2cc(Br)ccc2Br)o1 2090511746 KHGYYKKXFLCBRY-LLVKDONJSA-N 462.885 6.308 50 10 JKGE Cc1c(Br)cc(CCl)cc1S(=O)(=O)N(Cc1ccccc1)CC(F)(F)F 2095873433 FOCSRZQZIMDPOE-UHFFFAOYSA-N 470.738 5.250 50 10 JKGE BrCc1ccc(N2CCC[C@]3(CCN(Cc4ccccc4)C3)C2)c(Br)c1 2107014582 IFEGUUXFMBUSPS-JOCHJYFZSA-N 478.272 5.837 50 10 JKGE Cc1cc(Br)c(CBr)c(Oc2c(F)cccc2Br)c1 2116827005 ZUHAQMGHIIMHLG-UHFFFAOYSA-N 452.943 6.346 50 10 JKGE C[C@@H]1Cc2cc(Br)cc([C@@H](Cl)c3cc(I)sn3)c2O1 2120029295 NIEJFWHVLZJLKU-SREIQFSDSA-N 470.557 5.162 50 10 JKGE Clc1c(Br)sc(Br)c1[C@H](Br)[C@H]1C[C@@H]1C1CCOCC1 2135277638 NZKHQRUMRCPWJD-KHQFGBGNSA-N 493.486 6.425 50 10 JKGE Cc1c(Br)ccc([C@H](Br)[C@H]2COCCC2(F)F)c1Br 2138872087 QKOHOQQVRDQAKX-SKDRFNHKSA-N 462.954 5.628 50 10 JKGE Cc1c(Br)ccc([C@@H](Br)Cc2ccc(F)cc2)c1Br 2138876866 UOEXIZRSGUAGBT-AWEZNQCLSA-N 450.971 6.338 50 10 JKGE CCCN(c1cc(CBr)sc1[N+](=O)[O-])C1CCN(Cc2ccccc2)CC1 2143597636 IVQNJIRIWHTZLU-UHFFFAOYSA-N 452.418 5.432 50 10 JKGE CCOc1ccc(Br)cc1[C@H](Br)c1c(Br)sc(C)c1C 2157253391 ZAPPDOYGFCLEKS-AWEZNQCLSA-N 483.063 6.773 50 10 JKGE O=C(c1csc(Br)c1Br)N1CCC[C@]2(CBr)CCC[C@H]12 2165282577 FZFBQBBSYFLBRZ-HZMBPMFUSA-N 486.067 5.443 50 10 JKGE CN(Cc1cccc(Br)c1Br)C[C@@H](Br)C1CCCCC1 2167654581 YMAHXSWINFRSGT-OAHLLOKOSA-N 468.071 5.987 50 10 JKGE C[C@H](CCn1c(CCCl)nc2cc(Cl)c(Br)cc21)N(C)Cc1ccccc1 2169014918 FKXAPWFLLMEFTH-OAHLLOKOSA-N 469.254 6.144 50 10 JKGE FC1(F)CC2(C[C@@H]2[C@@H](Br)c2cc(I)cc3c2OCC3)C1 2189396183 VFKLTGPJTJKPDE-NEPJUHHUSA-N 455.080 5.098 50 10 JKGE CCCCCc1ccc([C@H](Br)c2ccc(F)cc2I)s1 2197258600 OJENPFIKXAQKAT-MRXNPFEDSA-N 467.185 6.709 50 10 JKGE Cc1cc(Br)c(C)c([C@H](Br)Cc2ccccc2Cl)c1Br 2201067852 BQNXMBIQJNQITL-CYBMUJFWSA-N 481.453 7.161 50 10 JKGE COc1c(Cl)cc(Br)cc1[C@H](Br)c1cc(C)ccc1Br 2203000256 DNVVLKLKAWNYLM-CQSZACIVSA-N 483.425 6.666 50 10 JKGE Cc1c(Br)ccc([C@H](Br)[C@H]2CC(C)(C)OC2(C)C)c1Br 2203694169 SKNZDFPWJHIBLX-RISCZKNCSA-N 469.055 6.550 50 10 JKGE CCCN1C[C@@H](Cl)[C@H](c2sc(Br)c(Br)c2Br)C1 2216390818 CYWZOYRSWFLMFI-RNFRBKRXSA-N 466.464 5.452 50 10 JKGE BrC[C@@H](Cc1ccc(Br)cc1)Cc1nscc1Br 2219920331 IEJVSZGTKWDDLL-JTQLQIEISA-N 454.025 5.464 50 10 JKGE CCOCc1cc(Br)c([C@@H](Br)c2cccc(OCc3ccccc3)c2)s1 2224791764 ICXDJWQORBJCSG-FQEVSTJZSA-N 496.264 7.110 50 10 JKGE Cc1ccc(F)c([C@@H](Br)c2cc(Br)c(Br)cc2F)c1 2225615356 GQBBUEAUPYHNQB-CQSZACIVSA-N 454.934 6.283 50 10 JKGE COc1cc(Br)c(C)cc1[C@@H](Br)c1cc(Br)c(C)s1 2226083504 BXVTXSKZRNQSLZ-CQSZACIVSA-N 469.036 6.383 50 10 JKGE Fc1cc(F)c([C@@H](Cl)c2cccc(I)c2)c(F)c1Br 2227807964 YZRRIRDZZYDWIE-LBPRGKRZSA-N 461.446 5.799 50 10 JKGE FC(F)CCCCC(CBr)(CBr)c1cccc(Br)c1 2230109998 XLASTRGEWLRVQY-UHFFFAOYSA-N 462.998 6.302 50 10 JKGE FC1(F)CCC[C@@H]1C[C@H](Br)c1c(Br)cc(Cl)c(Cl)c1Cl 2232521916 WARWPMDNBIDRQV-RQJHMYQMSA-N 471.394 7.671 50 10 JKGE Clc1cc(Br)c([C@H](Br)CC2CC3(CCC3)C2)c(Cl)c1Cl 2232528498 SVDHJIJCGLIPOJ-SECBINFHSA-N 461.452 7.816 50 10 JKGE COc1cc(Br)c([C@@H](Cl)c2cc(Br)ccc2Br)cc1C 2236016810 ZTDCVXNRVHHMHU-OAHLLOKOSA-N 483.425 6.619 50 10 JKGE COc1ccc([C@@H](Cl)c2cc(Br)c(C)s2)cc1I 2257369174 UFPBKVQVSKMOHY-CYBMUJFWSA-N 457.558 5.760 50 10 JKGE COc1ccc([C@H](Br)c2cc(Br)oc2C)c(Br)c1Cl 2268267395 DPHCTYOELRVPEX-NSHDSACASA-N 473.386 6.259 50 10 JKGE COc1ccc([C@@H](Br)c2cc(C)ccc2Cl)cc1I 2269545090 LZNSONRENWLASF-OAHLLOKOSA-N 451.529 5.746 50 10 JKGE COc1ccc([C@@H](Br)c2ccc(I)c(Cl)c2)c(C)c1C 2284533088 GCALRSMRIYKWKJ-INIZCTEOSA-N 465.556 6.054 50 10 JKGE C=CC[C@@]1(CBr)CCCN(Cc2cc(Cl)ccc2I)C1 2287746162 WPOOXOFLLBFKFF-INIZCTEOSA-N 468.604 5.498 50 10 JKGE CC1([C@H](Br)c2c(F)cc(Br)c(F)c2Br)CCCCCC1 2288482006 CIVQEAGSGQXQCG-CQSZACIVSA-N 475.009 7.286 50 10 JKGE CCc1ccccc1[C@@H](Br)c1c(F)cc(Br)c(F)c1Br 2288492076 BCMQSCKSAJZPOV-CYBMUJFWSA-N 468.961 6.537 50 10 JKGE Cc1ccc([C@@H](Br)Cc2cc(Br)cc(Br)c2)c(F)c1F 2295334408 WDZJSCNNWDAMBD-ZDUSSCGKSA-N 468.961 6.477 50 10 JKGE CCC[C@@H](C(C)C)[C@@H](Br)c1cc(Br)ccc1OCc1ccccc1 2299505796 ZWKVLKYYBQGVOG-GHTZIAJQSA-N 454.246 7.536 50 10 JKGE Cc1cc([C@H](Br)c2sc(Cl)cc2I)ccc1Cl 2300953471 JNCBSHCBFPFEIJ-NSHDSACASA-N 461.977 6.452 50 10 JKGE CCN(C[C@](C)(CI)O[C@@H]1CCCC2(CC2)C1)C(=O)OC(C)(C)C 2302707367 QMLDAUIHIRTFRY-QAPCUYQASA-N 451.389 5.177 50 10 JKGE Fc1c(Br)cc(Cl)c([C@H](Br)[C@H]2C[C@@H](F)C2)c1Br 2307187474 DYUKVTKOHKGZHP-IKMPGZOFSA-N 453.346 6.188 50 10 JKGE C=CCc1cc(C=C(C#N)C(=O)Nc2cccc(Cl)c2Cl)ccc1OCc1ccccc1C#N 2313570829 GZZUFGUWABXRJW-UHFFFAOYSA-N 488.374 6.718 50 10 JKGE COc1cc(C=C(C#N)C(=O)Nc2ccc(C)cc2C)ccc1OCc1ccc(Cl)cc1Cl 2313667199 HHBSSKGTUVEBBT-UHFFFAOYSA-N 481.379 6.744 50 10 JKGE Brc1ccc(OCc2ccccc2)c([C@@H](Br)C23CCCC2CCC3)c1 2314440189 NEUBONIWSBDPHM-PDRFFQIWSA-N 464.241 7.435 50 10 JKGE FC(F)(F)[C@@H]1CC[C@H]1[C@@H](Br)c1cc(Br)ccc1OCc1ccccc1 2314443757 ICYLIVGOWCTDMB-QGPMSJSTSA-N 478.146 7.053 50 10 JKGE Fc1cccc([C@@H](Br)c2cc(Br)ccc2OCc2ccccc2)c1F 2314490265 MZJFLCMTXFGULN-LJQANCHMSA-N 468.135 6.791 50 10 JKGE Fc1ccc([C@@H](Br)c2ccc(OCc3ccccc3)cc2Br)cc1Cl 2314499922 IIOZOISXVDIHSY-HXUWFJFHSA-N 484.590 7.305 50 10 JKGE COC1(C[C@H](Br)c2cc(Br)ccc2OCc2ccccc2)CCCC1 2314502506 JNNFRZZTAMPLKE-IBGZPJMESA-N 468.229 6.813 50 10 JKGE Cc1cccc(NC(=O)C(C#N)=Cc2c(Oc3cccc(C)c3C)nc3c(C)cccn3c2=O)c1 2314534053 XAAJCIKZKKCRBG-UHFFFAOYSA-N 464.525 5.266 50 10 JKGE CCc1ccc(N2C(=O)[C@H](Cc3ccc(C)c(C)c3)SC2=C(C#N)C(=O)NCc2ccccc2)cc1 2314593509 OFMHUALCDQKMAW-MHZLTWQESA-N 495.648 5.609 50 10 JKGE CCCCNC(=O)C(C#N)=Cc1ccc(OC(=O)[C@H](C)Oc2ccc(-c3ccccc3)cc2)cc1 2314785848 UJYYFRKGJAIHLF-NRFANRHFSA-N 468.553 5.550 50 10 JKGE Fc1c(Br)cc(Cl)c([C@@H](Br)c2ccsc2Cl)c1Br 2315454368 WITQKZLCBRYBMZ-QMMMGPOBSA-N 497.836 7.203 50 10 JKGE Cc1sc(Br)c(C)c1[C@@H](Br)c1c(Br)nc(C)n1C 2315598114 AJRZWTPTPFUWJZ-SECBINFHSA-N 457.029 5.416 50 10 JKGE Fc1cc(Cl)c([C@H](Br)c2sc(Cl)cc2I)cc1F 2316601481 SZYBVGYMQSSWHH-JTQLQIEISA-N 483.930 6.422 50 10 JKGE Cc1sc([C@H](Cl)c2ccc(Cl)cc2I)c(C)c1Br 2317774590 KCWXLUHJNKEEIB-GFCCVEGCSA-N 476.004 6.714 50 10 JKGE N#CC(=CN1CCN(c2ccc(F)cc2)CC1)C(=O)Nc1ccccc1Sc1ccccc1 2325336821 DIEBURJQWUNEST-UHFFFAOYSA-N 458.562 5.145 50 10 JKGE CC[C@@H](C)[C@H](C(O)=C(C#N)c1nc(-c2ccc(OC)c(C)c2)cs1)N1C(=O)c2ccccc2C1=O 2331260232 QVJMXVQHKOLIRD-IQMFZBJNSA-N 487.581 5.631 50 10 JKGE CCc1cccc(C)c1N1C[C@@H](C(O)=C(C#N)c2nc(-c3ccccc3OC)cs2)CC1=O 2331281942 LDWOAGJECZYHJG-SFHVURJKSA-N 459.571 5.535 50 10 JKGE CCOc1ccc(-c2csc(C(C#N)=C(O)[C@@H]([C@@H](C)CC)N3C(=O)c4ccccc4C3=O)n2)cc1 2331305690 IEWKNCSPNGVSNK-QMHKHESXSA-N 487.581 5.712 50 10 JKGE CCCCCCOc1ccc(C(O)=C(C#N)c2nc(-c3ccc(Cl)c(Cl)c3)cs2)cc1 2331311436 GPWAHNQVKLBHKD-UHFFFAOYSA-N 473.425 8.026 50 10 JKGE Cc1cc(C)c(C)c(-c2csc(C(C#N)=C(O)CN3C(=O)c4ccc([N+](=O)[O-])cc4C3=O)n2)c1C 2331366278 IPSHCBFNDMOTTI-UHFFFAOYSA-N 488.525 5.041 50 10 JKGE CC[C@@H](C)[C@@H](C(O)=C(C#N)c1nc(-c2c(C)c(C)cc(C)c2C)cs1)N1C(=O)c2ccccc2C1=O 2331366469 YHMFVXVYKXNGQB-BZQUYTCOSA-N 499.636 6.547 50 10 JKGE CCOc1ccc(OCC)c(-c2csc(C(C#N)=C(O)c3ccc(Cl)cc3[N+](=O)[O-])n2)c1 2331376807 YBARKWIOKYBWHJ-UHFFFAOYSA-N 471.922 6.119 50 10 JKGE Cc1cc(C)c(-c2csc(C(C#N)=C(O)c3ccccc3C(=O)c3ccccc3)n2)c(C)c1 2331393204 XQAWPRFQDRJTQL-UHFFFAOYSA-N 450.563 6.916 50 10 JKGE COc1cc(C=C(C#N)c2nc(-c3cc(C)ccc3OC)cs2)ccc1OCCc1ccccc1 2331449001 ZRMJMSLPTRQDAB-UHFFFAOYSA-N 482.605 6.821 50 10 JKGE Cn1ncc([C@@H](Cl)c2c(F)cc(Cl)c(Br)c2Cl)c1Br 2335369343 PWIBZTRLNWSHCY-SECBINFHSA-N 451.348 5.719 50 10 JKGE Cc1cc(Br)c(F)c(Br)c1[C@H](Br)[C@@]12CCC[C@@H]1CC2 2339659759 WILOVTGTWTVUDF-TURNYIBQSA-N 455.003 6.675 50 10 JKGE Clc1ccc(I)cc1COc1c(Cl)cccc1CBr 2352351384 UXLNVGDVEMBMPW-UHFFFAOYSA-N 471.947 6.072 50 10 JKGE CC1(C)CC[C@H](Br)[C@H](Cc2cc(I)ccc2Cl)CC1 2352428541 WIAVMYPTVGWNQL-FZMZJTMJSA-N 455.605 6.467 50 10 JKGE BrCc1cc(Br)c(OC[C@H]2CC[C@@H]3C[C@H]2CO3)c(Br)c1 2359051354 VASUSRLZVAUTHV-GRYCIOLGSA-N 469.011 5.300 50 10 JKGE COc1ccc(C[C@H](Br)c2cc(Br)c(OC)s2)c(Br)c1 2364260657 IPDZIXKHMABBPW-NSHDSACASA-N 485.035 5.969 50 10 JKGE Cc1cc(Br)c(F)c(Br)c1[C@@H](Br)[C@@H]1CC[C@H]2C[C@H]1CO2 2365189949 ZURMQUKFYNYGSB-XHSYRHOGSA-N 471.002 5.910 50 10 JKGE COc1c(Br)cc(C)c([C@@H](Br)C2CC3(COC3)C2)c1Br 2365215261 IMCSHDWOSQUXMX-LBPRGKRZSA-N 469.011 5.391 50 10 JKGE Cc1cc(Cl)c(Br)cc1[C@H](Br)c1c(Cl)cc(F)cc1Cl 2366405529 RDHYDDAZHVSURZ-AWEZNQCLSA-N 461.383 7.341 50 10 JKGE CC1(C)CCC(C)(C)[C@@H](Cc2ccc(Cl)cc2I)[C@@H]1Br 2366729285 JZBBGCYLXUEWMX-ZFWWWQNUSA-N 469.632 6.713 50 10 JKGE CC1(C)CCC(C)(C)[C@@H](Cc2ccc(I)c(Br)c2)[C@H]1Cl 2377293830 ILWMIXYUXOHCIW-SWLSCSKDSA-N 469.632 6.666 50 10 JKGE ClCc1csc(CCCOCc2ccc(I)c(Br)c2)n1 2377636697 QPBBOBYKDRISRI-UHFFFAOYSA-N 486.600 5.398 50 10 JKGE CC(C)(C)OC(=O)N(CC(F)F)[C@H]1CCCN(C[C@](C)(CBr)C(C)(C)C)C1 2380167424 GUGVPNZWQLNYGQ-YWZLYKJASA-N 455.428 5.400 50 10 JKGE Fc1ccccc1[C@H](CBr)OCc1cc(I)ccc1Cl 2380353961 SDAPXQXXNPBLOV-HNNXBMFYSA-N 469.519 5.737 50 10 JKGE CC1(C)[C@H]2CC[C@@H](C2)[C@@]1(CBr)Cc1cc(I)ccc1Cl 2380466921 PXXSAJUKNZGIQJ-DCGLDWPTSA-N 467.616 6.325 50 10 JKGE COc1ccc(/C=N/NC(=O)c2ccc(Br)cc2)cc1CN1CCCc2ccccc21 3584970 MSGWBTYGHSNKGK-JVWAILMASA-N 478.390 5.174 50 10 JKGE CCCCCCOc1ccc(Br)cc1C(=O)NNC(=O)Cc1cccc2ccccc12 14648340 BWVHBGXKAGDXKG-UHFFFAOYSA-N 483.406 5.565 50 10 JKGE COc1cc(/C=C(/C#N)c2nc3ccccc3[nH]2)ccc1OC(=O)c1cc2ccccc2nc1Cl 33687862 WPCKLFUSDPXFKA-PDGQHHTCSA-N 480.911 6.056 50 10 JKGE C[C@@H](Oc1ccccc1F)C(=O)Oc1ccc2c(c1)OC(N)=C(C#N)[C@@H]2c1cccc(Cl)c1 38651206 JYKJEKSENCERNN-QKFKETGDSA-N 464.880 5.070 50 10 JKGE Cc1nn(-c2ccccc2)c2c1/C(=N/NC(=O)c1ccccc1Br)CC(C)(C)C2 39853279 MUFHBAHKWSRDIQ-NCELDCMTSA-N 451.368 5.050 50 10 JKGE CCCCOc1ccc(/C=N/NC(=O)COc2ccc(C(C)(C)c3ccccc3)cc2)cc1OC 40866564 YASFSVZVBXVGRU-TWKHWXDSSA-N 474.601 5.729 50 10 JKGE CCOC(=O)/C(C#N)=C/c1cccc(OC(=O)/C=C/c2ccc(OCc3ccc(C)cc3)cc2)c1 40935816 LUUXCCBPBBMSGY-RDVKDWBRSA-N 467.521 5.663 50 10 JKGE CCc1ccc(OCCCC(=O)N/N=C/c2ccc(Cl)c(Cl)c2)c(Br)c1 40959304 ZTUIIVJOOPJKAB-FSJBWODESA-N 458.183 5.628 50 10 JKGE O=C(N/N=C(/CSc1nc2ccccc2s1)c1ccc(F)cc1)c1cccc([N+](=O)[O-])c1 59460582 WVHFPPNHRBXEBR-PLRJNAJWSA-N 466.519 5.270 50 10 JKGE C=CCNC(=O)/C(C#N)=C1\S[C@H](Cc2cccc(Cl)c2Cl)C(=O)N1c1ccc(C)c(C)c1 101241966 VUPQKJXORQOMEI-RMQQKZCOSA-N 486.424 5.339 50 10 JKGE CC1=CC(C)(C)N(C(=O)CCl)c2ccc([C@@]3(C)CC(C)(C)N(C(=O)CCl)c4ccccc43)cc21 105628381 ZLYJDDBQVDSXKE-MUUNZHRXSA-N 499.482 6.514 50 10 JKGE CCc1ccc(CC(CBr)(CBr)c2ccccc2Br)cc1 118878863 BGROGYIKHQUREX-UHFFFAOYSA-N 475.062 6.282 50 10 JKGE Clc1ccc(CO[C@H](CI)c2ccc(Br)cc2)cc1 162444137 OGRNWBXGBYMEBT-OAHLLOKOSA-N 451.529 5.795 50 10 JKGE CCOC(=O)/C(C#N)=C\c1cccc(OC(=O)/C=C/c2ccc(OCCC(C)C)c(OC)c2)c1 206953782 WJNGCQGQFXQRJY-FRRKYVQWSA-N 463.530 5.209 50 10 JKGE CCCCOC(=O)c1ccccc1NC(=O)/C(C#N)=C\Nc1ccc(Nc2ccccc2)cc1 217240724 DNAPKYLVEYBKNK-VXPUYCOJSA-N 454.530 5.845 50 10 JKGE Brc1cc2c(cc1[C@@H](Br)c1ccoc1Br)OCCCO2 232484232 ZNXGFGGFCVZIDB-ZDUSSCGKSA-N 466.951 5.450 50 10 JKGE O=[N+]([O-])c1cccc(Br)c1Oc1ccc(CBr)c(Br)c1 232486852 TUWGNMVVUVFUMJ-UHFFFAOYSA-N 465.923 5.807 50 10 JKGE COc1cccc(N(C(=O)CCl)[C@H](C(=O)N[C@@H]2CCCC[C@H]2C)c2ccccc2Cl)c1 252585872 LUNDUKOWYPIUTK-VZPUWSDOSA-N 463.405 5.357 50 10 JKGE CCCCCCCCCCCC(=O)NN=Cc1c(OC(=O)c2cccc(C)c2)ccc2ccccc12 254488084 PNRDYQKTGMRHAA-UHFFFAOYSA-N 486.656 7.738 50 10 JKGE COc1cc(C=NNC(=O)COc2c(C)cccc2C)ccc1OCc1ccccc1Cl 256017222 QNNQGMPICWQSBE-UHFFFAOYSA-N 452.938 5.074 50 10 JKGE BrCc1cc(Br)ccc1N1C[C@H]2CCN(Cc3ccccc3)C[C@H]2C1 311182683 ZLGHXFKTFQNHSQ-MJGOQNOKSA-N 464.245 5.302 50 10 JKGE FC(F)(F)c1csc([C@H](Cl)c2cc(Br)ccc2Cl)c1Br 312358577 JRYYMYPAULOOFN-SNVBAGLBSA-N 468.947 7.274 50 10 JKGE C[C@H](Cl)c1nc2cnccc2n1-c1cc(Br)ccc1I 380002601 AYKVPIROXJBTJI-QMMMGPOBSA-N 462.516 5.087 50 10 JKGE Clc1cc(Br)ccc1[C@H](Cl)c1cc(I)cc2c1OCC2 380050167 CBYITEWUIMVASE-AWEZNQCLSA-N 483.958 5.970 50 10 JKGE Cc1cc(C(=O)[C@@H](C)Cl)c(C)n1-c1ccc(I)cc1Br 380211463 HCYMIYDHSMRPQA-SECBINFHSA-N 466.544 5.271 50 10 JKGE Cc1cc(F)c([C@H](Br)c2cccc(C)c2I)cc1Cl 395569425 LTYCBOJKYXZUKR-CQSZACIVSA-N 453.520 6.185 50 10 JKGE C[C@@H]1C[C@@H](n2c(CCCl)nc3cc(F)c(Br)cc32)CN1Cc1ccccc1 398233111 XQYMFZSZCUYYHE-GDBMZVCRSA-N 450.783 5.555 50 10 JKGE Fc1ccc2nc(CCCl)n(CC3(N(Cc4ccccc4)Cc4ccccc4)COC3)c2c1F 705604928 OLRFGVRQRIIATH-UHFFFAOYSA-N 481.974 5.567 50 10 JKGE COc1ccc(C)cc1[C@@H](Br)c1ccc(I)c(Br)c1 721603473 MGCAAJJEEPGWRQ-HNNXBMFYSA-N 495.980 5.855 50 10 JKGE C=CCOc1c(Br)cc(/C=C(/C#N)C(=O)Nc2cccc(C)c2)cc1Br 1084068948 WCRDZWCZUDNLCH-DHDCSXOGSA-N 476.168 5.631 50 10 JKGE O=C(NN=Cc1ccccc1OCc1ccccc1)c1ccc(CSCc2ccccc2)cc1 1084361149 GZSYKPBJJCKUTL-UHFFFAOYSA-N 466.606 6.463 50 10 JKGE Cc1cc(C)c(C(CSc2nc3ccccc3o2)=NNC(=O)c2cccc([N+](=O)[O-])c2)cc1C 1084410862 DQNWAMKLBVQRFX-UHFFFAOYSA-N 474.542 5.588 50 10 JKGE N#Cc1ccc(COc2ccc3ccccc3c2C=NNC(=O)c2ccccc2Br)cc1 1084538407 LDSWJZVXHVYIJM-UHFFFAOYSA-N 484.353 5.817 50 10 JKGE Cc1cc(Cl)ccc1NC(=O)c1oc2c(c1C)C(=NNC(=O)c1ccc([N+](=O)[O-])cc1)CCC2 1772744188 AVAPEAALAAFXPS-UHFFFAOYSA-N 480.908 5.181 50 10 JKGE O=C(CSc1nc(-c2ccccc2)cs1)NN=Cc1ccc(OCc2ccccc2)cc1 1772755105 NJKADFNNDUGALW-UHFFFAOYSA-N 459.596 5.632 50 10 JKGE CN(C)c1ccc([C@H]2C(C#N)=C(N)Oc3c2c(C(F)(F)F)nn3-c2ccc(Cl)c(Cl)c2)cc1 1865683928 QMAQROQRELGEPH-KRWDZBQOSA-N 494.304 5.482 50 10 JKGE CCc1nn(-c2cccc3ccccc23)c2c1[C@@H](c1ccc(Cl)cc1Cl)C(C#N)=C(N)O2 1865685009 BXLJFEVVYVKTCS-QFIPXVFZSA-N 461.352 6.113 50 10 JKGE CCCCOc1ccc([C@H]2C(C#N)=C(N)Oc3c2c(C)nn3-c2ccc(Br)cc2)cc1 1865691919 DWOLLNFKZVOEKE-QFIPXVFZSA-N 479.378 5.340 50 10 JKGE CCOc1ccc([C@H]2C(C#N)=C(N)Oc3c2c(C(F)(F)F)nn3-c2ccccc2Cl)cc1 1865693705 LWOQLUVTQIGNQL-KRWDZBQOSA-N 460.843 5.161 50 10 JKGE CCCOc1c(OC)cccc1[C@@H]1C(C#N)=C(N)Oc2c1c(-c1ccccc1)nn2-c1ccccc1 1865694061 UACVOVBCFFUTCI-XMMPIXPASA-N 478.552 5.555 50 10 JKGE CCCOc1cccc([C@@H]2C(C#N)=C(N)Oc3c2c(C)nn3Cc2ccc(Cl)c(Cl)c2)c1 1865694198 VNXDFRBKAPBDAM-JOCHJYFZSA-N 469.372 5.554 50 10 JKGE Cc1ccc(COc2ccc([C@@H]3C(C#N)=C(N)Oc4c3c(C(F)(F)F)nn4CC(C)C)cc2)cc1 1865694569 ZKNCINPAMALGNK-OAQYLSRUSA-N 482.506 5.664 50 10 JKGE N#CC1=C(N)Oc2c(c(C(F)(F)F)nn2Cc2ccccc2Cl)[C@H]1c1c[nH]c2ccccc12 1865699898 FZWFFDZHALXDPP-GOSISDBHSA-N 469.854 5.303 50 10 JKGE CCCOc1ccc(-c2csc(NC(=O)/C(C#N)=C/c3ccc(F)cc3)c2C(=O)OCC)cc1 1866127602 TYQJPTGDBRNITD-XMHGGMMESA-N 478.545 6.065 50 10 JKGE COc1ccc(-c2csc(/C(C#N)=C(\O)[C@H](C)Oc3ccc(Cl)cc3Cl)n2)cc1OC 1872745429 MNMUHORPOJWYQL-OBZJLHOISA-N 477.369 6.394 50 10 JKGE CC(C)N1C(=O)c2ccc(/C(O)=C(\C#N)c3nc(-c4cccc(Br)c4)cs3)cc2C1=O 1872746265 ZYBIUGBLVUSCIN-ZZEZOPTASA-N 494.370 5.527 50 10 JKGE COc1ccc(-c2csc(/C(C#N)=C(\O)c3c(Cl)ccc(Cl)c3Cl)n2)cc1C 1872746512 LKSRLCRYQMFXLB-UNOMPAQXSA-N 451.762 7.037 50 10 JKGE CCCCOc1ccc(/C(O)=C(\C#N)c2nc(-c3ccc(C(C)(C)C)cc3)cs2)cc1OCC 1872750295 AMUPKBVNTILUPK-ROMGYVFFSA-N 476.642 7.635 50 10 JKGE COc1ccc(C(C)(C)C)cc1-c1csc(/C(C#N)=C(\O)c2ccccc2C(=O)c2ccccc2)n1 1872751552 MXJPBHJYNYDRCM-COOPMVRXSA-N 494.616 7.297 50 10 JKGE CCCCCCCOc1ccc(-c2csc(/C(C#N)=C(\O)c3ccc(Cl)cc3[N+](=O)[O-])n2)cc1 1872753242 NOWCODZJOYOLAD-FLFQWRMESA-N 498.004 7.671 50 10 JKGE COc1ccc(-c2csc(/C(C#N)=C(O)/C=C/c3ccc(Cl)c(Cl)c3)n2)c(C)c1C 1872754028 ZANPDOTXPXYGGV-ZOAHLGDVSA-N 457.382 7.248 50 10 JKGE CCN(c1ccccc1)S(=O)(=O)c1ccccc1NC(=O)CCCC[C@H]1CCSS1 1874189987 ZRFMPQQKJCDTHD-IBGZPJMESA-N 464.678 5.554 50 10 JKGE Clc1cc([C@H](Br)c2ccc(OCc3ccccc3)cc2Br)cs1 1899848874 GWZNYMBBLQBJEW-SFHVURJKSA-N 472.629 7.227 50 10 JKGE C[C@H](CCCl)N(Cc1ccccc1)c1ncc(C(F)(F)F)cc1I 1915081135 FBYLIHPJSUJNMQ-GFCCVEGCSA-N 468.688 5.729 50 10 JKGE CC[C@@H](Br)CN(Cc1ccccc1)S(=O)(=O)c1cccc(C(F)(F)F)c1C 1915084046 SFTXZDUYPXJLHU-MRXNPFEDSA-N 464.347 5.378 50 10 JKGE Cc1c(Br)sc([C@H](Br)c2ccc3c(c2)CCO3)c1Br 1922901279 MDZVKKLEAFTWLN-GFCCVEGCSA-N 467.020 6.001 50 10 JKGE Cc1cc([C@H](Br)c2sc(Br)cc2Br)oc1Br 1922911565 DPBMBQKTQZSYFZ-QMMMGPOBSA-N 493.840 6.421 50 10 JKGE Cc1c(Br)sc([C@H](Br)c2c(F)cccc2Cl)c1Br 1922953669 GKYNPADUQDUVOK-SNVBAGLBSA-N 477.418 6.858 50 10 JKGE COc1ccc([C@@H](Br)[C@@H](C)c2ccncc2Br)cc1Br 1924039161 HZPQWGXJOAMQME-VFZGTOFNSA-N 463.995 5.855 50 10 JKGE FC1(F)[C@H]([C@@H](Br)c2c(Cl)sc(Br)c2Cl)C12CCCC2 1925567540 VZOHSDYSLWFOKW-POYBYMJQSA-N 454.989 7.079 50 10 JKGE C[C@@H]1CN(c2ccc(Br)cc2CBr)[C@H](C)CN1Cc1ccccc1 1946783430 PKZZCEATDBTUNM-HZPDHXFCSA-N 452.234 5.443 50 10 JKGE Cc1ccc(Br)c(C(=O)N(Cc2ccccc2)[C@@H](CBr)C(C)C)n1 2003267318 NDVLUURPBDYVPH-KRWDZBQOSA-N 454.206 5.214 50 10 JKGE Cc1cc(Br)c(C)c([C@@H](Br)[C@H]2C[C@H](Br)C2)c1Br 2022975249 ZOKMCGCCQXEKTN-RVBZMBCESA-N 489.871 6.438 50 10 JKGE Fc1ccc([C@@H](Cl)c2cccc(Br)c2Br)cc1Br 2031480044 QQWZWNBYTFRMNG-CYBMUJFWSA-N 457.362 6.441 50 10 JKGE CC(C)(C)C1CC([C@@H](Br)c2c(Br)sc(Br)c2Cl)C1 2043034924 IBMYRBHSDZJJHJ-QXUHLLMWSA-N 479.503 7.435 50 10 JKGE Cc1sc(Br)cc1[C@@H](Br)c1cc(Cl)c(C)c(Br)c1 2048504117 SNOCJHBBQINZQD-ZDUSSCGKSA-N 473.455 7.028 50 10 JKGE C[C@H]1CN(Cc2ccccc2)CCCN1c1cc(Br)cc(F)c1CBr 2051130838 APHWNECFRQZRFJ-HNNXBMFYSA-N 470.224 5.584 50 10 JKGE Cc1cc(Br)c(CBr)c(N2CCN(Cc3ccccc3)CC[C@H]2C)c1 2053220359 YLMXPCNFPVXQGC-QGZVFWFLSA-N 466.261 5.753 50 10 JKGE Brc1ccc(Br)c([C@@H](Br)c2ncn3ccsc23)c1 2083983245 XWISUXMHWIJSKA-SNVBAGLBSA-N 450.981 5.405 50 10 JKGE Fc1cc(Cl)c([C@@H](Cl)c2c(Br)sc(Br)c2Cl)cc1F 2112344541 NFMMTZYQHMNRLN-MRVPVSSYSA-N 471.375 7.186 50 10 JKGE CCOc1ccc([C@H](Br)c2cc(Br)c(Cl)s2)c(Br)c1 2115942019 HBHFRRNFMZLPGT-LBPRGKRZSA-N 489.454 6.810 50 10 JKGE CCCCO[C@@H]1[C@@H](Br)C[C@H]1Oc1ccc(Br)cc1Br 2118395895 VPDVKSGCJAFHMK-IACUBPJLSA-N 457.000 5.312 50 10 JKGE C[C@@H]1CCCN(Cc2cc(Br)ccc2Br)[C@@H]1CCBr 2118520318 SSSYVXIRGADUCN-IAQYHMDHSA-N 454.044 5.597 50 10 JKGE ClCc1ccc(OCc2cc(Br)ccc2Br)c(Br)c1 2118520561 VYABERVFLJABII-UHFFFAOYSA-N 469.398 6.292 50 10 JKGE Clc1cccc([C@H](Br)CCc2cc(Br)ccc2Br)c1 2118529213 CDEABMSUSBTIDX-CQSZACIVSA-N 467.426 6.934 50 10 JKGE Cc1c(Br)sc([C@H](Br)c2scc3c2CCCC3)c1Br 2130575246 AWRMWHSFFIWXRE-LLVKDONJSA-N 485.104 7.006 50 10 JKGE Cc1cc(Br)c(C)c([C@H](Br)[C@@H]2CCCC[C@@H]2C)c1Br 2136372380 YCUPRAVYLKDKLI-PXTQAZKISA-N 453.056 7.091 50 10 JKGE Cc1cc(Br)c(C)c([C@H](Br)[C@]23C[C@H](CCO2)C3)c1Br 2136382877 VGIDLXJLRNDSOH-NZVBXONLSA-N 453.012 5.834 50 10 JKGE CCn1ncc(Br)c1COc1c(Br)cc(CCl)cc1Br 2150696539 YLDRHWMLCVZOOY-UHFFFAOYSA-N 487.417 5.508 50 10 JKGE BrCc1c(Br)cccc1N1C[C@@]23CCC[C@]2(CN(Cc2ccccc2)C3)C1 2153342345 XGSKQQWAKJONFR-GOTSBHOMSA-N 490.283 5.837 50 10 JKGE ClCc1nc2cc(Br)c(Cl)cc2n1-c1cccc(OCc2ccccc2)c1 2159872017 PMSUWLDRNCVFTA-UHFFFAOYSA-N 462.174 6.759 50 10 JKGE Brc1ccc(Br)c(C[C@H]2CCc3ccccc3[C@H]2Br)c1 2175143923 GPMXMPCKFJLSPV-PXAZEXFGSA-N 459.019 6.453 50 10 JKGE Cc1ccc(Br)cc1[C@H](Cl)c1c(C)c(Br)cc(C)c1Br 2201075365 CFMXQOGCBPTREY-INIZCTEOSA-N 481.453 7.228 50 10 JKGE COc1cc(F)c(F)cc1[C@@H](Br)c1cc(I)ccc1F 2204487365 JKUNHNUHVPXNHL-AWEZNQCLSA-N 457.027 5.201 50 10 JKGE Cc1ccc([C@@H](Br)c2cc(Br)c(C)s2)cc1I 2212992274 LGDMVFACXJWMCU-CYBMUJFWSA-N 486.010 6.216 50 10 JKGE CC[C@@]1([C@H](Br)c2cc(Br)c(Br)cc2F)CC1(F)F 2218603085 IUFUFASRHLQKEQ-MNOVXSKESA-N 450.918 6.222 50 10 JKGE COc1cc(Br)c([C@H](Br)c2nscc2Br)cc1C 2220447630 UUINXNLJKDJZEP-NSHDSACASA-N 455.997 5.469 50 10 JKGE CC[C@@H](CC(C)C)[C@@H](Br)c1c(Br)cc(Cl)c(Cl)c1Cl 2224313994 WMELMAFZTQGIIR-QPUJVOFHSA-N 451.457 7.918 50 10 JKGE Cc1nsc(Br)c1[C@@H](Cl)c1c(Br)cc(Cl)c(Cl)c1Cl 2224323404 SGSNGQBNKJNZOQ-SECBINFHSA-N 484.855 7.265 50 10 JKGE Cc1cc(Br)c([C@H](Br)[C@@H]2CC23CCCC3)c(C)c1Br 2227373472 ZYRPNZJYBUBZJM-XHDPSFHLSA-N 451.040 6.845 50 10 JKGE Cc1sc([C@H](Br)c2cc3c(cc2Br)OCCO3)cc1Br 2234476165 WJBAUUVJMNMTSF-CQSZACIVSA-N 483.019 5.837 50 10 JKGE Clc1cc([C@@H](Br)c2ccc([C@@H]3CCOC3)s2)ccc1I 2240427349 RJYAFFXJAWXPER-MEBBXXQBSA-N 483.596 5.994 50 10 JKGE CCc1cc([C@H](Br)c2scc(C)c2Br)sc1Br 2248004059 PYKGKBJCZCKRKB-JTQLQIEISA-N 459.066 6.690 50 10 JKGE COc1ccc([C@@H](Cl)c2sc(C)cc2Br)cc1I 2257368722 RYUDFSRJQBPWKF-GFCCVEGCSA-N 457.558 5.760 50 10 JKGE Fc1cc(Br)c(F)c(Br)c1[C@@H](Br)[C@@H]1CCC2(CC2)C1 2272721590 JXIGQQYGOZEUQR-HQJQHLMTSA-N 458.966 6.506 50 10 JKGE CCOc1ccc([C@H](Cl)c2c(F)cccc2I)cc1Br 2282783591 IUPUGJAMQWINEI-HNNXBMFYSA-N 469.519 5.920 50 10 JKGE Cc1cc(Cl)c(Br)cc1[C@H](Cl)c1cc(Br)c(F)cc1Cl 2285985794 MVWNWWWFJDCKBB-AWEZNQCLSA-N 461.383 7.294 50 10 JKGE Cc1cccc([C@@H](Br)c2c(F)cc(Br)c(F)c2Br)c1C 2288361189 ALNLBZMPLIXQQR-CYBMUJFWSA-N 468.961 6.591 50 10 JKGE CCCCOC(=O)c1c(NC(=O)C(C#N)=Cc2cccc3ccccc23)sc2c1CCCC2 2296833301 VIJNWSVQMHFKMS-UHFFFAOYSA-N 458.583 6.283 50 10 JKGE CCOC(=O)C(C#N)=C1S[C@@H](Cc2ccc(Cl)c(Cl)c2)C(=O)N1c1ccc(F)cc1 2296835050 RXSDVIRMXYPBNU-SFHVURJKSA-N 465.333 5.122 50 10 JKGE Cc1ccc(N2C(=O)[C@@H](Cc3ccc(F)cc3)SC2=C(C#N)C(=O)Nc2ccc(F)cc2)cc1 2297019480 CPRQTXPMMXTATF-HSZRJFAPSA-N 475.520 5.338 50 10 JKGE C[C@H]1OC2([C@H](Br)c3cc(Br)ccc3OCc3ccccc3)CC1C2 2299498995 VYZCPWOHYALKIC-FGERZBBPSA-N 452.186 6.032 50 10 JKGE CCC[C@H](C)[C@@H](Br)c1c(Cl)cc(Br)c(F)c1Br 2300172441 QTQKRVIWOZIFLM-QUBYGPBYSA-N 451.399 6.876 50 10 JKGE Clc1cc(I)c([C@H](Cl)c2cccc(Cl)c2Br)s1 2301082312 XXQBHRGWTUSOHP-SNVBAGLBSA-N 482.395 6.750 50 10 JKGE O=C(N[C@@H](CCCl)COCc1ccccc1)c1cccc(Br)c1Br 2303702688 YLCJGVQAOFMVEB-AWEZNQCLSA-N 475.608 5.156 50 10 JKGE Cc1ccc(C)c(NC(=O)C(C#N)=Cc2cccc(OCc3ccc(Cl)cc3Cl)c2)c1 2313561207 ZBQFBOJZFHOXDE-UHFFFAOYSA-N 451.353 6.735 50 10 JKGE CCc1ccccc1NC(=O)C(C#N)=Cc1cc(Br)ccc1OCc1cccc(Cl)c1 2313738921 YNEJJYVNUSPZDT-UHFFFAOYSA-N 495.804 6.790 50 10 JKGE CS[C@H]1C[C@H](COc2c(Br)cc(CBr)cc2Br)C1 2314288090 GXPZVCPHQLKJAO-MGCOHNPYSA-N 459.041 5.627 50 10 JKGE Brc1cc(OCc2ccccc2)ccc1[C@@H](Br)C[C@@H]1C[C@H]2CC[C@H]1C2 2314448609 JFNRWNYEIOGYGF-NTLWEQJWSA-N 464.241 7.290 50 10 JKGE Brc1cc(OCc2ccccc2)ccc1[C@H](Br)C1CC2(CCCO2)C1 2314459351 JTRGQJAZKHPXSZ-ZWVUXNTGSA-N 466.213 6.423 50 10 JKGE CCCCOc1cc(C=C(C#N)C(=O)Nc2sc3c(c2C(=O)OC)CCCC3)ccc1OC 2314571305 CYMIBFJIUOFIJN-UHFFFAOYSA-N 468.575 5.147 50 10 JKGE COc1ccc(N2C(=O)[C@H](Cc3cccc(C)c3)SC2=C(C#N)C(=O)Nc2ccc(C)cc2)cc1 2314592231 OKXUVJVMGRGIMV-VWLOTQADSA-N 483.593 5.377 50 10 JKGE Cc1ccc(N2C(=O)[C@H](Cc3ccc(Cl)cc3)SC2=C(C#N)C(=O)NCc2ccco2)cc1C 2314594086 YXGLFPPKRBZYRR-QHCPKHFHSA-N 492.000 5.293 50 10 JKGE CC1=C(C#N)C(=O)N(CC(C)C)C(=O)C1=Cc1cn(-c2ccccc2)nc1-c1cc(C)ccc1C 2314610508 IXICQWAZABVGTE-UHFFFAOYSA-N 464.569 5.404 50 10 JKGE CC1=C(C#N)C(=O)N(Cc2cccnc2)C(=O)C1=Cc1cn(-c2ccccc2)nc1-c1ccc(C)cc1 2314618347 LTOWPPZYJZDEKT-UHFFFAOYSA-N 485.547 5.035 50 10 JKGE Cc1nc(-c2ccc(Cl)c(Cl)c2)ccc1C(=O)NNC(=O)C=Cc1ccc(Cl)cc1Cl 2321176167 LPMGMWLFGHDMHP-UHFFFAOYSA-N 495.193 6.145 50 10 JKGE COc1cccc(C(=O)NN=Cc2ccc(OCc3c(Cl)cccc3Cl)c(OC)c2)c1 2322948963 DDEYKLWEYUFWMQ-UHFFFAOYSA-N 459.329 5.354 50 10 JKGE Brc1cc(CC[C@H](Br)c2ccccn2)ccc1I 2325205186 VDKDZLCVVNUPJF-NSHDSACASA-N 480.969 5.518 50 10 JKGE N#CC(=CNc1ccc(Oc2ccccc2)cc1)C(=O)Nc1ccc(Cl)c(C(F)(F)F)c1 2325382806 AQNNLRSAEIANBT-UHFFFAOYSA-N 457.839 6.609 50 10 JKGE Cc1cc(Br)c([C@@H](Br)[C@H]2[C@@H]3[C@H]2CCC3(F)F)cc1Br 2330159811 DSWRHVJWLYPPTB-GUQKDYTMSA-N 458.966 6.247 50 10 JKGE C[C@@H](Oc1ccc(Cl)cc1Cl)C(O)=C(C#N)c1nc(-c2ccc(Cl)cc2)cs1 2331300527 NTBNZLOABHBGKA-LLVKDONJSA-N 451.762 7.030 50 10 JKGE CCCOc1ccc(-c2csc(C(C#N)=C(O)CCCN3C(=O)c4ccccc4C3=O)n2)cc1 2331318391 GUKSNIJSDYIYTM-UHFFFAOYSA-N 473.554 5.468 50 10 JKGE COc1cc(OC)c(-c2csc(C(C#N)=C(O)CCCOc3ccc(Cl)cc3)n2)cc1Cl 2331378748 XRRJFGMAUYZWAW-UHFFFAOYSA-N 491.396 6.786 50 10 JKGE Fc1ccc(C(F)F)c([C@H](Br)c2sc(Br)cc2Br)c1 2338359491 HJKCIDAAMPNZMI-JTQLQIEISA-N 478.953 6.834 50 10 JKGE COc1c(Br)cc(C)c([C@@H](Br)c2ccoc2C)c1Br 2339650610 HVIGZUDDWCIUDN-LBPRGKRZSA-N 452.968 5.914 50 10 JKGE ClCc1ccc(OCc2ccc(Cl)cc2I)c(Br)c1 2340115778 UXASHPJXIDISSX-UHFFFAOYSA-N 471.947 6.025 50 10 JKGE CC[C@@](C)(CO[C@](C)(CI)c1ccccc1Br)C(F)F 2361588009 HHSFDTXRHSYLAU-LSDHHAIUSA-N 461.128 5.797 50 10 JKGE CCc1ccc(OC)c([C@@H](Cl)c2cc(I)ccc2Br)c1 2361927100 SVAZFMQYMSZIOD-INIZCTEOSA-N 465.556 5.953 50 10 JKGE COc1ccc(CBr)cc1OCc1ccc(Cl)c(I)c1 2362427708 MWJRVXOJZKPJGS-UHFFFAOYSA-N 467.528 5.427 50 10 JKGE Clc1cc(I)c([C@@H](Cl)c2ccc3cc(Br)ccc3c2)s1 2363891847 LQHINAKCCLMHDX-AWEZNQCLSA-N 498.010 7.250 50 10 JKGE Cc1cc(Br)c(F)c(Br)c1[C@H](Br)C12CCC(F)(CC1)C2 2365189123 ROWAKCPMUZAPOE-NFOMZHRRSA-N 472.993 6.768 50 10 JKGE COc1c(Br)cc(C)c([C@@H](Br)C2(CC3CC3)CC2)c1Br 2365216734 XKNGSXBMKDKTOJ-OAHLLOKOSA-N 467.039 6.545 50 10 JKGE CN(Cc1c(Br)cccc1Br)c1cc(CCl)c(Br)cn1 2366162220 RTRYUISOGKYDIS-UHFFFAOYSA-N 483.429 5.744 50 10 JKGE CC(C)(C)OC(=O)NC[C@](C)(CI)OC[C@H](c1ccccc1)C1CCCC1 2368371872 NQSXFEXSZLUBHV-KNQAVFIVSA-N 487.422 5.695 50 10 JKGE CN(Cc1ccc(I)c(Br)c1)C1(CCl)CC2(CCC2)C1 2377325032 TXZAVBRNMVEBJX-UHFFFAOYSA-N 468.604 5.427 50 10 JKGE O=C(NN=Cc1c[nH]c2ccccc12)c1cc(-c2cccc(OCc3ccc(Cl)cc3)c2)[nH]n1 2687712 PYLIDKBWSRGWOB-UHFFFAOYSA-N 469.932 5.554 50 10 JKGE N#CC1=C(N)OC2=C(CCC/C2=C\c2cccc(Cl)c2Cl)[C@@H]1c1cccc(Cl)c1Cl 2783209 MQUVHUDLROVACQ-QHSLDKKCSA-N 478.206 7.629 50 10 JKGE C[C@@H]1Cc2cc(-c3nn(-c4ccccc4)cc3/C=C(/C#N)c3nc4ccccc4n3C)ccc2O1 15226409 PNKQLVFIOIRKSA-OSEFQUDUSA-N 457.537 5.814 50 10 JKGE CC(C)c1ccc(O[C@H](C)C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@@H]3c2ccc([N+](=O)[O-])cc2)cc1 38654995 SGIJFKGBZSYBHT-WGDIFIGCSA-N 499.523 5.309 50 10 JKGE C=CCOc1cccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4ccc(OCCCC)cc4)ccc32)c1 38684561 PBEPSFQVEDBOFG-NDEPHWFRSA-N 496.563 5.868 50 10 JKGE CCCOc1ccccc1[C@@H]1C(C#N)=C(N)Oc2cc(OC(=O)c3oc4ccc(C)cc4c3C)ccc21 38700668 ZRXLVWZYNQSKSM-MHZLTWQESA-N 494.547 6.276 50 10 JKGE Cc1cc(Oc2nc3c(C)cccn3c(=O)c2/C=C(/C#N)C(=O)Nc2ccc(F)cc2)ccc1Cl 39858754 YZNYNDXYSNZDIT-LGMDPLHJSA-N 488.906 5.442 50 10 JKGE CCCCOc1ccc(NC(=O)c2oc3c(c2C)/C(=N/NC(=O)c2cccc(Cl)c2)CCC3)cc1 40813327 CLUHLJPJTKAADT-JBASAIQMSA-N 493.991 6.143 50 10 JKGE Cc1cc(OCC(=O)N/N=C/c2ccc(OCc3ccccc3Cl)cc2)cc(C)c1Cl 40910624 SAEJRSVXZCWISO-UVHMKAGCSA-N 457.357 5.718 50 10 JKGE Fc1cc([C@@H](Br)c2ccccc2I)c(F)cc1Br 70474381 IOZSGABHLDFMQY-ZDUSSCGKSA-N 487.907 5.816 50 10 JKGE CN(C)CCCC(c1ccccc1)(c1ccccc1)P(=O)(c1ccccc1)c1ccccc1 95705649 YSDJZUSXOAPETJ-UHFFFAOYSA-N 453.566 6.286 50 10 JKGE BrC[C@H](Cc1ccc(Br)cc1)Cc1ccc(I)cc1 97183408 WOBLAZVOLPBQFL-CQSZACIVSA-N 494.008 5.850 50 10 JKGE Fc1cc2c(cc1I)nc(CCl)n2-c1ccccc1Br 97408531 KCAGEPYHXORQQK-UHFFFAOYSA-N 465.491 5.271 50 10 JKGE N#C/C(=C/Nc1ccccc1OC(F)(F)[C@@H](F)Cl)c1nc(-c2ccc(F)cc2)cs1 102415938 LPXRQGBWEJOPLU-QTJNJRLBSA-N 453.848 6.432 50 10 JKGE CCCCCCCCCCOc1ccc(C(=O)N/N=C/c2ccc(OCCCC)cc2)cc1 103726220 JEGJQIZSMJZQEF-BYNJWEBRSA-N 452.639 7.149 50 10 JKGE Cc1cc(Br)ccc1[C@@H](Br)c1cc(Br)ccc1Br 104034313 HVXAFQPCIVPACH-CQSZACIVSA-N 497.850 6.767 50 10 JKGE Cc1ccc(C)c(N/C(SCc2ccccc2F)=C(\C#N)S(=O)(=O)c2ccccc2)c1 104689417 JOBWFJQDBKKLLW-VHXPQNKSSA-N 452.576 5.954 50 10 JKGE Cl[C@H](c1cccc(I)c1)c1cc2c(cc1Br)OCCCO2 109821565 TYLDCQMLPNJRPV-MRXNPFEDSA-N 479.539 5.543 50 10 JKGE Fc1cc(Br)ccc1C[C@@H](CBr)c1ccc(Br)cc1 118657928 PRTLCRVWDOXDND-LBPRGKRZSA-N 450.971 6.072 50 10 JKGE Cc1cc(Cl)c([C@H](Br)c2cc(Br)c(Br)s2)cc1C 128674451 BPOITPKVVZJECH-LBPRGKRZSA-N 473.455 7.028 50 10 JKGE Cc1cc(Br)c([C@@H](Br)[C@@H]2CCCc3ccccc32)cc1Br 128828559 ITCVGJVAQFSQMC-KDOFPFPSSA-N 473.046 7.076 50 10 JKGE Cc1cc([C@H](Br)c2cc(Br)c(C)cc2Br)ccc1Cl 138411365 GTGBVVWIXSSPIL-HNNXBMFYSA-N 467.426 6.966 50 10 JKGE Cc1ccc([C@@H](Br)c2cc(Br)ccc2Br)c(Br)c1 163909879 WRVWOFVRKVXGSS-CQSZACIVSA-N 497.850 6.767 50 10 JKGE CC(C)[Si](OCCC[C@]1(O)CCCc2cc(O[Si](C)(C)C(C)(C)C)ccc21)(C(C)C)C(C)C 203764556 RSMBDXCSXMLAKB-MUUNZHRXSA-N 492.893 8.567 50 10 JKGE CCOc1ccc([C@H](Br)c2cccc(I)c2)cc1Br 228995626 FESONJOFUCZGBX-OAHLLOKOSA-N 495.980 5.937 50 10 JKGE Brc1cc([C@H](Br)c2ccc3c(c2)CCCO3)c(Br)s1 232453696 JMDXFJVPCCQQAH-CYBMUJFWSA-N 467.020 6.082 50 10 JKGE O=C(N[C@@H](CBr)c1ccccc1)c1cc(Br)sc1Br 232457009 PUQXYUFFNXWJGQ-JTQLQIEISA-N 468.008 5.139 50 10 JKGE CCCOc1ccc([C@@H](Br)c2csc(Br)c2)cc1Br 233251389 RMPIZSKDZYUNSN-CQSZACIVSA-N 469.036 6.546 50 10 JKGE C[C@H](c1ccncc1)[C@@H](Br)c1cc(I)ccc1Br 235249465 QZMGFNZNFQNJBF-YMTOWFKASA-N 480.969 5.688 50 10 JKGE CC(=NNC(=O)c1cc(-c2ccc(C)s2)nc2ccccc12)c1ccc(OCC(C)C)cc1 252624124 PGVGFONEVUUNBL-UHFFFAOYSA-N 457.599 6.461 50 10 JKGE CCC(=NNC(=O)c1cc(-c2ccccc2OC(C)C)nc2ccccc12)c1cc(O)ccc1O 254439175 MUJXMFGFBDDMEW-UHFFFAOYSA-N 469.541 5.644 50 10 JKGE Cc1ccc(N=Nc2ccc(C[P+](c3ccccc3)(c3ccccc3)c3ccccc3)cc2)cc1 254734393 DWUDEKYPIHPQBR-UHFFFAOYSA-N 471.564 7.905 50 10 JKGE CCCCN(CC)C[C@H](C(C)=NNC(=O)OC)[C@H](c1ccccc1)c1c(O)c2ccccc2oc1=O 254738223 NFSLTZOYMBCKMZ-VWNXMTODSA-N 493.604 5.101 50 10 JKGE Cc1cc(C)c([C@@H](Br)c2cc(F)ccc2Br)c(C)c1Br 312665679 WXQSZMNHMOHOJP-INIZCTEOSA-N 464.998 6.760 50 10 JKGE C[C@@H]1[C@@H](n2c(CCCl)nc3cc(F)c(Br)cc32)CCN1Cc1ccccc1 312714947 GPVPKBGHZZNUST-KUHUBIRLSA-N 450.783 5.555 50 10 JKGE Fc1cc(Br)ccc1[C@@H]1CN(Cc2ccccc2)C[C@@H]1CI 382690399 HZTSVKOYUARFRF-WMLDXEAASA-N 474.155 5.239 50 10 JKGE C[C@H](COCc1ccccc1)n1c(CCl)nc2cc(I)c(F)cc21 390598566 AUZGBWKRLLTTLT-GFCCVEGCSA-N 458.702 5.297 50 10 JKGE ClCCc1nc2cc(Cl)ccc2n1CCCN(Cc1ccccc1)Cc1ccccc1 390607612 YHWJHTFGZWEERT-UHFFFAOYSA-N 452.429 6.564 50 10 JKGE Clc1cc([C@@H](Br)c2c(Cl)cccc2Cl)c(Cl)c(Cl)c1Cl 404639671 BXXJIZHNMARKJY-SNVBAGLBSA-N 453.805 8.091 50 10 JKGE CCOc1ccc([C@H](Br)c2cscc2Br)c(Br)c1 404698970 CUTNCGICXFHXJD-ZDUSSCGKSA-N 455.009 6.156 50 10 JKGE CCOC(=O)NN=C1C=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 607746994 ZGBFIPQSPKDRKC-SKWBQNNWSA-N 454.655 6.427 50 10 JKGE CC(C)(C)OC(=O)NCCN1CCCO[C@H](c2ccccc2CO[Si](C)(C)C(C)(C)C)C1 616680039 LLTJNUOXDVOCCG-QFIPXVFZSA-N 464.723 5.497 50 10 JKGE CC1(C)C[C@H](Br)C[C@H](NC(=O)c2cc(Br)sc2Br)C1 693892908 BJJIWSQYIRXPLT-SFYZADRCSA-N 474.056 5.345 50 10 JKGE CC1(C)CN(Cc2ccccc2)C[C@@H]1n1c(CCl)nc2ccc(F)c(Br)c21 720701301 GUGXHIKCPBBIMM-KRWDZBQOSA-N 450.783 5.760 50 10 JKGE COCCc1ccc([C@@H](Cl)c2ccc(I)c(Br)c2)cc1 721573260 QFEVJSWOVLGWQR-MRXNPFEDSA-N 465.556 5.571 50 10 JKGE O=C(CCCSc1nc2ccc([N+](=O)[O-])cc2s1)NN=Cc1ccc(Cl)cc1Cl 1084091399 YBTRRSAMLPWPOF-UHFFFAOYSA-N 469.375 5.534 50 10 JKGE O=C(NN=Cc1cn(Cc2ccc([N+](=O)[O-])cc2)c2ccccc12)c1ccccc1Br 1084175870 NWFKAEWRCGOIKA-UHFFFAOYSA-N 477.318 5.124 50 10 JKGE CCOc1cc(/C=C(/C#N)C(=O)Nc2cc(Cl)ccc2C)ccc1OCc1ccc(C)cc1 1084267803 RVISECPYJKWRAK-XKZIYDEJSA-N 460.961 6.480 50 10 JKGE CCCOc1c(Br)cc(/C=C(/C#N)C(=O)Nc2ccccc2Cl)cc1OCC 1084353057 TUSLLURIPRINDM-GDNBJRDFSA-N 463.759 5.836 50 10 JKGE COc1ccc(CC(=O)NN=Cc2cccc(OCc3ccc(Cl)cc3Cl)c2)cc1OC 1084356837 SGFFTWLVNNUICF-UHFFFAOYSA-N 473.356 5.282 50 10 JKGE CCOc1ccc([C@@H]2C(C#N)=C(N)Oc3c2c(-c2ccccc2)nn3Cc2ccccc2Cl)cc1 1865694158 QQYCPWBPMHIQKV-XMMPIXPASA-N 482.971 5.869 50 10 JKGE CCCCCCOc1ccc([C@H]2C(C#N)=C(N)Oc3c2c(C)nn3-c2cccc(Cl)c2)cc1OC 1865695719 GUZZPWGMIWEKKZ-VWLOTQADSA-N 493.007 6.020 50 10 JKGE CCCOc1ccccc1[C@@H]1C(C#N)=C(N)Oc2c1c(C(F)(F)F)nn2Cc1ccc(C)cc1 1865702885 HOCASZBLYSOSLH-HXUWFJFHSA-N 468.479 5.266 50 10 JKGE CCOC(=O)c1c(-c2ccc(C(C)C)cc2)csc1NC(=O)/C(C#N)=C/c1ccc(F)cc1 1866127965 PEWICFZPGFPOSZ-DEDYPNTBSA-N 462.546 6.400 50 10 JKGE Cc1cc(OCc2ccc(CCl)cc2)cc2c1C(=O)/C(=C/c1c(Cl)cccc1Cl)O2 1871437018 WTIRDZXAVUZTTB-JJFYIABZSA-N 459.756 7.236 50 10 JKGE COc1cc(/C=C(\C#N)c2nc3ccccc3s2)ccc1OCC(=O)Nc1ccc(C)cc1C 1872727029 ZTOQFMBGGJLWIA-DEDYPNTBSA-N 469.566 6.003 50 10 JKGE Cc1ccc(-c2csc(/C(C#N)=C(\O)c3ccc4c(c3)C(=O)N(C3CCCCC3)C4=O)n2)c(C)c1 1872748642 GXVNQUZYJWUQKA-BZZOAKBMSA-N 483.593 6.306 50 10 JKGE CCc1cccc(C)c1N1C[C@@H](/C(O)=C(\C#N)c2nc(-c3ccc4c(c3)OCO4)cs2)CC1=O 1872752858 WIUDPHIPBKQUNF-BVHWPRFASA-N 473.554 5.255 50 10 JKGE COc1c(Cl)cc(Cl)cc1-c1csc(/C(C#N)=C(\O)Cc2ccc(F)cc2F)n1 1872754135 DSAVDGYUFTVMRK-JXAWBTAJSA-N 453.297 6.439 50 10 JKGE CCOc1ccc(-c2csc(/C(C#N)=C(\O)CCc3ccc(OCC)c(OC)c3)n2)c(OCC)c1 1872755467 OZSRMWXIPXRVJN-LNVKXUELSA-N 494.613 6.440 50 10 JKGE COc1ccc(-c2csc(/C(C#N)=C(\O)[C@H](C)Oc3ccccc3C(C)C)n2)cc1Cl 1872757463 HMDGHAQUNIEARA-ACNSNUFOSA-N 454.979 6.856 50 10 JKGE COc1ccc(Cl)cc1-c1csc(/C(C#N)=C(\O)c2cc([N+](=O)[O-])c(C)c([N+](=O)[O-])c2)n1 1872759122 FJDOCSMALWYRTA-RGEXLXHISA-N 472.866 5.547 50 10 JKGE ClCCCN(Cc1ccccc1)Cc1ccc(I)c(Br)c1 1893241533 LLMOUCFGQXUVJZ-UHFFFAOYSA-N 478.599 5.685 50 10 JKGE Cc1nsc(Br)c1[C@@H](Br)c1cc(F)c(Br)cc1F 1912973709 WHEBYQNLSOLDFV-JTQLQIEISA-N 461.951 5.739 50 10 JKGE CC(C)[C@H](CBr)N(CCOc1ccc(Br)cc1)Cc1ccccc1 1915268727 LXIPMHMDCJLXIU-FQEVSTJZSA-N 455.234 5.750 50 10 JKGE CC1([C@H](Br)c2c(Br)sc(Br)c2Br)CC1 1924577174 XZKMWXWXPXPQKT-ZCFIWIBFSA-N 467.846 6.272 50 10 JKGE COc1sc([C@@H](Cl)c2cccc(Br)c2Br)cc1Br 2034639873 YSFJOJWBJOMOMY-NSHDSACASA-N 475.427 6.372 50 10 JKGE CN(c1c(CBr)ccc(Br)c1Cl)C1CCN(Cc2ccccc2)CC1 2036847297 HSAQCFJBIYSHLF-UHFFFAOYSA-N 486.679 6.098 50 10 JKGE CCO[C@@H]1CC[C@@H]([C@H](Cl)c2c(Br)sc(Br)c2Br)C1 2054501557 YWTMCORYJLUKMT-XSSZXYGBSA-N 481.475 6.521 50 10 JKGE CC(C)(C)OC(=O)N1C[C@H](I)[C@H](OC[C@H]2C[C@H]2C2CCCCCC2)C1 2080297057 KAGKVPIKJTURKY-VSZNYVQBSA-N 463.400 5.032 50 10 JKGE CC(C)Cc1ccc([C@H](Cl)c2ccc(I)c(Br)c2)s1 2087350506 WYXWXQAWIHGDBI-OAHLLOKOSA-N 469.613 6.642 50 10 JKGE O=C(c1cc(Br)sc1Br)N1CC[C@@H]2C[C@@H](Br)CC[C@H]21 2087662881 FZZVCCVMRUZKBL-KHQFGBGNSA-N 472.040 5.051 50 10 JKGE COc1cc(Br)c(C)cc1[C@H](Br)c1ccccc1OCc1ccccc1 2089723776 WOYVNLPQJGIYRL-JOCHJYFZSA-N 476.208 6.829 50 10 JKGE C[C@H]1Cc2cc([C@@H](Br)c3coc(Br)c3)cc(Br)c2O1 2090471584 YIAVWHZPGUIPKE-WPPNPWJKSA-N 450.952 5.612 50 10 JKGE CC1(C)C[C@H](n2c(CCl)nc3cc(I)ccc32)[C@@H]1OCc1ccccc1 2100142492 OHSQMYPFSYTFDK-ICSRJNTNSA-N 480.777 5.936 50 10 JKGE O=C(NC[C@H]1CCCC[C@H](Br)C1)c1csc(Br)c1Br 2107482192 XFYWLDGYLVJABX-IUCAKERBSA-N 474.056 5.347 50 10 JKGE Cc1c(Br)sc([C@@H](Cl)c2cc(F)c(F)cc2Cl)c1Br 2112344452 MGXIYFJZMNXHQP-JTQLQIEISA-N 450.957 6.841 50 10 JKGE C[C@H](Cl)c1nc2cc(Cl)c(Br)cc2n1C[C@@H](C)N(C)Cc1ccccc1 2112697728 WQHKUNVKSXAKPN-KGLIPLIRSA-N 455.227 6.273 50 10 JKGE Fc1ccccc1[C@@H](Br)CCc1ccc(Br)cc1Br 2113381140 GWCZAJOOBNWNDG-ZDUSSCGKSA-N 450.971 6.420 50 10 JKGE Clc1ccc(I)c(CC[C@H](Cl)c2cccc(Br)c2)c1 2113448297 ZFOMVLKQLTXDEC-AWEZNQCLSA-N 469.975 6.620 50 10 JKGE Fc1cc(CC[C@@H](Br)c2ccc(Br)cc2)ccc1Br 2113486760 JDHPRCNUECNPAV-CYBMUJFWSA-N 450.971 6.420 50 10 JKGE CO[C@]1(C(F)(F)F)C[C@H]([C@H](Br)c2sc(Br)cc2Br)C1 2125555257 FAIIIRYKDDRRJW-BUMCKTDNSA-N 486.973 6.067 50 10 JKGE COc1ccc([C@@H](Br)c2c(C)c(Br)cc(C)c2Br)s1 2136373951 HOKHRXMFLKIRGW-CQSZACIVSA-N 469.036 6.383 50 10 JKGE Cc1c(F)ccc([C@H](Br)c2cccc(Br)c2Br)c1C 2138891625 URQJEFWTLJPOTK-AWEZNQCLSA-N 450.971 6.452 50 10 JKGE COc1c(Br)cc(C)cc1[C@@H](Br)c1ccccc1I 2139004727 YBTJYVKCFKVAEL-AWEZNQCLSA-N 495.980 5.855 50 10 JKGE C[C@@H](CC(CBr)(CBr)c1ccc(Br)cc1)P(C)(C)=O 2139869438 UVBBWUMKVOCHES-NSHDSACASA-N 474.999 5.878 50 10 JKGE O=C(NC[C@@H]1CC12CCC(Br)CC2)c1cc(Br)c(Br)s1 2157506884 YXRPYCYCPRJRCI-JUXJKVCFSA-N 486.067 5.347 50 10 JKGE ClCCc1nc2cc(I)ccc2n1[C@@H]1CCCCN(Cc2ccccc2)C1 2158571825 KBPHQBRWZVUOSO-LJQANCHMSA-N 493.820 5.649 50 10 JKGE CC1(C)[C@@H](Cn2c(CCl)nc3cc(I)ccc32)CCN1Cc1ccccc1 2163193951 GIOYSTWYPFGOPK-QGZVFWFLSA-N 493.820 5.680 50 10 JKGE CC(C)(C)[C@@H]1C[C@H](CBr)CN(c2ncc(Br)cc2Br)C1 2165000052 RXCHLGNQBWEZFL-GHMZBOCLSA-N 469.059 5.490 50 10 JKGE Cc1cc(Br)cc(CBr)c1OCc1cc(Br)ccc1Cl 2166834081 XHBMNKAXUDFBSX-UHFFFAOYSA-N 483.425 6.647 50 10 JKGE CCc1nc([C@@H](Br)c2c(Br)cc(F)c(F)c2F)c(Br)s1 2169490632 QLFLHZSWWWIKQM-QMMMGPOBSA-N 493.968 6.132 50 10 JKGE BrCc1cc(Br)cc(Br)c1OC[C@H]1C[C@@H]2CC[C@H](C1)O2 2181276903 PUVAFAKJSKAFMK-CGJHYDBRSA-N 469.011 5.443 50 10 JKGE Cc1nn(C)c(Br)c1CC(CBr)(CBr)C1CCCCC1 2185794320 JWHVJHMXUXQSOH-UHFFFAOYSA-N 471.075 5.390 50 10 JKGE C[C@](F)(CC(CBr)(CBr)c1ccc(Br)cc1)C(F)(F)F 2191831175 ZWPXRTGCSZQTJD-NSHDSACASA-N 484.951 6.157 50 10 JKGE COc1ccc([C@H](Br)c2ccc(Br)c(C)c2Br)c(Cl)c1 2203707267 VBFBIXGPFOBKHO-HNNXBMFYSA-N 483.425 6.666 50 10 JKGE CCN(C(=O)c1scc(Br)c1Br)[C@H]1CCC[C@@H]1Br 2217702265 BWNMXIMSUAWGGG-CBAPKCEASA-N 460.029 5.051 50 10 JKGE CCc1nc([C@H](Cl)c2cc(Br)c(Br)cc2F)c(Br)s1 2225617877 WGEOWRKDFGIMMG-SNVBAGLBSA-N 492.433 6.460 50 10 JKGE CCCC[C@@H](CC)[C@@H](Br)c1c(Br)cc(C)c(Br)c1C 2227348374 NGBMSPPEWYMMRN-MLGOLLRUSA-N 455.072 7.481 50 10 JKGE C[C@@H](Cl)c1nc2cc(Br)c(Br)cc2n1-c1ccsc1Cl 2234058625 QODWUFRGMFMFGK-ZCFIWIBFSA-N 455.002 6.565 50 10 JKGE CCc1cc([C@H](Br)c2sc(C)cc2Br)sc1Br 2248001628 CLPVTASYUZQGRW-JTQLQIEISA-N 459.066 6.690 50 10 JKGE Cc1sc([C@H](Br)c2c(F)cc(Br)cc2F)c(Br)c1C 2264418127 IUWKNNGSTNDRSQ-GFCCVEGCSA-N 474.990 6.652 50 10 JKGE COc1ccc([C@@H](Cl)c2cc(F)ccc2Br)cc1I 2269545872 RRPAOILEKZRCJU-CQSZACIVSA-N 455.492 5.530 50 10 JKGE Clc1ccc(Br)cc1CO[C@@H]1CCCCCC[C@@H]1I 2277807052 PZVVXUQSHGCTPS-LSDHHAIUSA-N 457.577 6.146 50 10 JKGE CC1(C)CCCC[C@H]1[C@@H](Br)Cc1cc(Br)cc(Br)c1 2277962425 HLKXVAHVSVQNSL-GJZGRUSLSA-N 453.056 6.734 50 10 JKGE CN(C(=O)Cc1cc(Br)cc(Br)c1)[C@@H](CBr)C(C)(C)C 2295316703 BMZKSLAFSCPMBN-ZDUSSCGKSA-N 470.043 5.022 50 10 JKGE COc1cc(C=C(C#N)C(=O)Nc2ccc(NC(C)=O)cc2)ccc1OCc1ccccc1Cl 2295459606 FNOWBDXUFWBXHR-UHFFFAOYSA-N 475.932 5.432 50 10 JKGE CCOc1ccc(-c2csc(C(C#N)=CNc3ccc(Cl)cc3C(=O)c3ccccc3)n2)cc1 2295945665 MICJTOCKBJVBIM-UHFFFAOYSA-N 485.996 7.070 50 10 JKGE CCCCSc1ccc(-c2nn(-c3ccccc3)cc2C=C(C#N)C(=O)N2CCOCC2)cc1 2297464054 LJTCGVBPAYIYGZ-UHFFFAOYSA-N 472.614 5.197 50 10 JKGE N#CC1=C(N)OC2=C(CN(Cc3ccccc3)CC2=Cc2ccccc2F)[C@H]1c1ccccc1F 2297504872 HFEXFMDVCIDAAN-MHZLTWQESA-N 467.519 5.626 50 10 JKGE C[C@@H]1CCC[C@@H]([C@H](Br)c2ccc(OCc3ccccc3)cc2Br)C1 2299501806 RGISINNLNWVCGG-CEQIKUNHSA-N 452.230 7.290 50 10 JKGE CC1(C)[C@H]([C@H](Br)c2cc(Br)ccc2OCc2ccccc2)C1(F)F 2299529867 GSHAQQOMIHMOOV-SJORKVTESA-N 460.156 6.755 50 10 JKGE Cn1nc([C@@H](Br)c2cc(Br)ccc2OCc2ccccc2)cc1Cl 2299529885 GYEXAEXQQYXKQN-SFHVURJKSA-N 470.592 5.899 50 10 JKGE FC(F)(F)[C@H]1C[C@@H]([C@@H](Br)c2sc(Br)cc2Br)C1 2307507363 CNQXLGFWRGNUBU-GLDDHUGJSA-N 456.947 6.298 50 10 JKGE CCc1ccc(NC(=O)C(C#N)=Cc2cc(Br)ccc2OCc2ccccc2F)cc1 2313730262 LDSTYKITUCYJLJ-UHFFFAOYSA-N 479.349 6.275 50 10 JKGE Brc1cc(OCc2ccccc2)ccc1[C@H](Br)[C@@H]1CC12CCOCC2 2314503968 XYDVDTGJJBONKH-ICSRJNTNSA-N 466.213 6.281 50 10 JKGE Cc1cc(Br)c(F)c(Br)c1[C@H](Br)c1cscc1Cl 2317400341 NDVXMYLGNCQQEW-SNVBAGLBSA-N 477.418 6.858 50 10 JKGE COc1ccc(C(C#N)=Cc2ccc(OC(=O)[C@@H](C)Oc3ccc(Cl)cc3Cl)cc2)cc1OC 2320507043 XMKSKPJZLZTRQM-MRXNPFEDSA-N 498.362 6.448 50 10 JKGE C[C@@H]1C[C@H](CBr)CCN1Cc1ccc(I)c(Br)c1 2325203238 CCCWKXSQASJDGP-GHMZBOCLSA-N 487.017 5.049 50 10 JKGE CCCCCCCCCOc1ccc(C=C(C#N)c2nc3cc(C)ccc3n2C)cc1Cl 2331018623 XSRNOUBHIRNEMK-UHFFFAOYSA-N 450.026 7.729 50 10 JKGE COC(=O)c1ccc2c(O)nc(C(C#N)=Cc3ccccc3OCc3ccc(Cl)cc3)nc2c1 2331046366 JUDBYROOSJWVBD-UHFFFAOYSA-N 471.900 5.419 50 10 JKGE N#CC(=C(O)CCCN1C(=O)c2ccc(Br)cc2C1=O)c1nc(-c2ccccc2)cs1 2331304823 GXKDXVPAKYGXHC-UHFFFAOYSA-N 494.370 5.442 50 10 JKGE COc1ccc(C(C)(C)C)cc1-c1csc(C(C#N)=C(O)C(=Cc2ccccc2)c2ccccc2)n1 2331350719 OAMKBVNXVVYCRY-UHFFFAOYSA-N 492.644 8.150 50 10 JKGE COc1cc(OC)c(-c2csc(C(C#N)=C(O)c3ccc(OC)c(OC)c3)n2)cc1Cl 2331377548 JPYBBXNSEVRHLT-UHFFFAOYSA-N 458.923 5.448 50 10 JKGE CCCCc1ccc(N2C[C@H](C(O)=C(C#N)c3nc(-c4ccc(C)c(C)c4)cs3)CC2=O)cc1 2331382676 UNBDCPXEHNJTGM-JOCHJYFZSA-N 471.626 6.615 50 10 JKGE N#CC(=Cc1ccccc1OCc1ccc(Cl)cc1)c1nc(-c2ccc3c(c2)CCCC3)cs1 2331417172 XRQQNFVYFMSOMQ-UHFFFAOYSA-N 483.036 7.985 50 10 JKGE Cc1ccc(COc2ccc(C=C(C#N)c3nc(-c4ccc([N+](=O)[O-])cc4)cs3)cc2)cc1 2331432500 CJVLWQPMOQQJCQ-UHFFFAOYSA-N 453.523 6.670 50 10 JKGE CCCCCOc1ccc(C=C(C#N)c2nc(-c3cc(OCC)ccc3OCC)cs2)cc1OC 2331470066 DALDRUBJHUTOID-UHFFFAOYSA-N 492.641 7.249 50 10 JKGE CCOc1cc(C=C(C#N)c2nc(-c3c(C)cc(C)cc3C)cs2)ccc1OCc1ccccc1C 2331478386 DTGQGBQQCLGNMH-UHFFFAOYSA-N 494.660 8.086 50 10 JKGE CCCc1sc(Br)cc1[C@@H](Br)Cc1ccc(Br)cc1 2338023094 CTWZOGXSVTUVBC-ZDUSSCGKSA-N 467.064 6.904 50 10 JKGE Cc1cc(Br)c(F)c(Br)c1[C@@H](Br)[C@H]1C[C@H]2CC[C@H]1C2 2339645220 GFLLXHUZQKBZNP-YVNDNENWSA-N 455.003 6.531 50 10 JKGE Cc1cc(Br)c(F)c(Br)c1[C@@H](Br)[C@]12COC[C@H](C1)C2 2339659079 OSDLGKXYJOKODZ-GFWSLJDESA-N 456.975 5.522 50 10 JKGE Cc1ccc(CBr)cc1OCc1ccc(I)c(Br)c1 2349809433 SVNJGQKYAXWLMZ-UHFFFAOYSA-N 495.980 5.836 50 10 JKGE Cc1cc(Br)c(C)c([C@H](Br)[C@@H]2C[C@@H]3O[C@H]2[C@H]2C[C@@H]32)c1Br 2357916891 LVLHSLCMUWTIJL-LVADQITDSA-N 465.023 5.688 50 10 JKGE Fc1c(Br)cc(Cl)c([C@@H](Br)[C@H]2C(F)(F)C23CCC3)c1Br 2362225463 VSUOVMFVLLRIFA-MWLCHTKSSA-N 497.374 6.876 50 10 JKGE Fc1ccc(CBr)c(OCc2ccc(Cl)c(I)c2)c1F 2362435211 CVCMLIPUUJFWRM-UHFFFAOYSA-N 473.482 5.697 50 10 JKGE COc1cc([C@H](Cl)c2scc(Br)c2Br)c(OC)cc1Cl 2363532022 CZSCCPXZEIMGSR-LBPRGKRZSA-N 461.002 6.272 50 10 JKGE CN(Cc1c(Br)c(Br)nn1C)c1ccc(CBr)c(Cl)c1 2364375543 AWDKHVKCFHFUEG-UHFFFAOYSA-N 486.433 5.130 50 10 JKGE Fc1cc(Cl)c([C@H](Br)c2cc(C3CC3)c(Br)s2)c(Cl)c1 2366405320 OSYJWWVULISPRX-CYBMUJFWSA-N 459.005 7.318 50 10 JKGE CC1(C)CC[C@H](CO[C@](C)(CI)c2ccccc2Br)C1 2367332868 YSEMGKWOTDTQKU-SUMWQHHRSA-N 451.186 5.942 50 10 JKGE CN(Cc1ccc(I)c(Br)c1)C[C@H](Cl)C1CCCCC1 2377344268 RADHFXSQGMYEIF-HNNXBMFYSA-N 470.620 5.673 50 10 JKGE Cc1cc(C)c([C@@H]2[C@H]3CCCC=C3C(C#N)=C(N)C2(C#N)C#N)cc1COc1ccc(F)cc1 2727500 JVMTVKQUNJGPSW-OZXSUGGESA-N 452.533 5.615 50 10 JKGE CCSc1ccsc1[C@H]1C(C#N)=C(N)N(c2ccc([N+](=O)[O-])cc2Cl)C2=C1C(=O)CCC2 4003271 OKOWHGVWNWQVMU-IBGZPJMESA-N 487.006 5.726 50 10 JKGE CSc1sc(C)cc1[C@H]1C(C#N)=C(N)N(c2ccccc2F)C2=C1C(=O)CC(C)(C)C2 9982014 YYXAVMTYXHZZEU-FQEVSTJZSA-N 453.608 5.858 50 10 JKGE O=C(COc1ccc(Br)cc1Cl)N/N=C/c1c2ccccc2cc2ccccc12 13977886 QHEHMSGDDYTQHC-LGJNPRDNSA-N 467.750 5.938 50 10 JKGE Cc1cc([C@@H]2C(C#N)=C(N)N(c3ccc(Cl)c([N+](=O)[O-])c3)C3=C2C(=O)CCC3)c(C)s1 27550451 KJVQAXSECIIQTF-HXUWFJFHSA-N 454.939 5.231 50 10 JKGE Cc1cccc(NC(=O)/C(C#N)=C\c2cccc(OCCOc3ccc(C(C)(C)C)cc3)c2)c1 33534117 RQZJAWCCFNINEV-NKFKGCMQSA-N 454.570 6.296 50 10 JKGE Cc1ccc(N2C(=O)[C@H](Cc3ccccc3C)S/C2=C(/C#N)C(=O)Nc2ccc(F)cc2)cc1 33803394 INLUVTYIVDHHOL-FYAMCCBRSA-N 471.557 5.508 50 10 JKGE Cc1cccc(C(=O)Oc2ccc(Br)cc2/C=N\NC(=O)c2ccc(Cl)cc2)c1 35375234 LLQHLPUUUOTWKS-MXAYSNPKSA-N 471.738 5.394 50 10 JKGE Cc1cc(C)cc(OCC(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@@H]3c2ccc(Cl)cc2)c1 38651389 OTYVNWDLIRTIJJ-RUZDIDTESA-N 460.917 5.159 50 10 JKGE Cc1c(C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@H]3c2ccccc2Cl)oc2ccc(Cl)cc12 38687631 CVEOMYVJTAZCGX-QHCPKHFHSA-N 491.330 6.485 50 10 JKGE C=CCOc1ccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4oc5ccc(C)cc5c4C)ccc32)cc1 38688595 WRNGEBQKPLHTCR-HHHXNRCGSA-N 492.531 6.052 50 10 JKGE COc1cc(/C=N/NC(=O)COc2cccc(C)c2C)ccc1OCc1ccc(Cl)cc1 40888521 YQQOMCVRHYPGTF-MZJWZYIUSA-N 452.938 5.074 50 10 JKGE CCOc1ccc(NC(=O)/C(C#N)=C\c2ccc(OCc3cccc(Cl)c3)c(OCC)c2)cc1 59224998 ZMONQSKENWJBSE-STZFKDTASA-N 476.960 6.262 50 10 JKGE O=C(Cc1cccc2ccccc12)N/N=C1/C(=O)N(Cc2cccc3ccccc23)c2ccccc21 59418859 AGRQOMFLYLRCHN-KKYHWDRJSA-N 469.544 5.603 50 10 JKGE CCCCC1CCC(C(=O)Nc2ccc(C[C@H](Br)CCC)cc2OCC)CC1 71436505 ZHKVGNXPUNGBCX-DQVLVPHSSA-N 452.477 7.127 50 10 JKGE N#C/C(=C/Nc1cc(C(F)(F)F)ccc1Cl)c1nc(-c2ccc(Cl)cc2Cl)cs1 100406189 PHQOUNSCHLHTFC-NTMALXAHSA-N 474.722 7.766 50 10 JKGE Cc1c(C(=O)Nc2cc(Cl)c(Cl)cc2Cl)oc2c1/C(=N\NC(N)=O)CC(C)(C)C2 101110257 AVMPPZOHJDREMA-MXAYSNPKSA-N 457.745 5.145 50 10 JKGE CCc1ccc(N2C(=O)[C@H](Cc3cccc(C)c3)S/C2=C(/C#N)C(=O)Nc2cccc(C)c2)cc1 101245368 IBGVNHBZXCXCMY-HFVAWESISA-N 481.621 5.931 50 10 JKGE CCCS/C=C(\NC(=O)c1ccc(C)cc1)[P+](c1ccccc1)(c1ccccc1)c1ccccc1 102618613 IYGGMCXZOJVBKT-BGABXYSRSA-O 496.636 6.661 50 10 JKGE N#C/C(=C/Nc1ccc(Oc2ccccc2)cc1)c1nc(-c2ccc(Cl)cc2Cl)cs1 102937587 ZANXNBIADSDNGX-PEZBUJJGSA-N 464.377 7.886 50 10 JKGE Cc1cc([C@@H](Cl)c2cc(Br)sc2Br)sc1Br 126727417 DWAZJYKWXCQRLC-QMMMGPOBSA-N 465.457 6.734 50 10 JKGE Fc1c(F)c(F)c([C@@H](Br)c2cc(Cl)c(Br)s2)c(F)c1F 128147091 WPRUDRJFGWNRHZ-YFKPBYRVSA-N 456.455 6.344 50 10 JKGE Cc1ccc(C)c(C[C@@H](Br)c2cc(Br)c(Br)s2)c1 128275597 YXHBFYIQWPFPLK-LLVKDONJSA-N 453.037 6.569 50 10 JKGE O=S(=O)(c1c(Cl)cc(Br)cc1Cl)N1CCCC[C@H]1CCBr 160420724 NPOWECCIHMZVPZ-JTQLQIEISA-N 480.049 5.084 50 10 JKGE CCOc1cc(Cl)c([C@H](Br)c2ccc(Br)c(F)c2)cc1Cl 164570928 ZYHQKOGFFSIHQD-OAHLLOKOSA-N 456.964 6.778 50 10 JKGE CCOc1cc(Cl)c([C@H](Br)c2ccc(Br)c(Cl)c2)cc1Cl 164581528 HTPFTMLFGRZOOE-OAHLLOKOSA-N 473.419 7.292 50 10 JKGE COc1ccc([C@H](Br)c2ccc(Br)c(C)c2)c(OC)c1Br 224854976 QIGUXKFZDGLFSL-CQSZACIVSA-N 479.006 6.022 50 10 JKGE CCCCOc1ccc(C(=O)Oc2ccc(C=NNC(=O)COc3ccc(CC)cc3)cc2)cc1 254817477 XNWPTBHVYVUBJD-UHFFFAOYSA-N 474.557 5.176 50 10 JKGE O=C(CNc1cccc2ccccc12)NN=Cc1ccc(OC(=O)c2cccc3ccccc23)cc1 254823257 AUEGGTMNZOAMIB-UHFFFAOYSA-N 473.532 5.774 50 10 JKGE CCn1c(C)nc2cc(C(=O)NN=Cc3c(C)nn(-c4cccc(C(F)(F)F)c4)c3Cl)ccc21 254873655 CMSXKTDUBAGEHR-UHFFFAOYSA-N 488.901 5.295 50 10 JKGE CCN(C[C@](C)(CI)OCc1cccc(Cl)c1)C(=O)OC(C)(C)C 303741204 JPPOJMYXPUWOOK-SFHVURJKSA-N 467.775 5.307 50 10 JKGE Fc1cc2c(cc1I)nc(CCl)n2CCCCOCc1ccccc1 390584419 XTELWSHIRVAMNX-UHFFFAOYSA-N 472.729 5.516 50 10 JKGE CC(C)(C)[C@@H]1CC[C@H](Br)[C@@H](Cc2cc(Cl)ccc2I)C1 405355102 XJBNJMOVOAHWSZ-LNSITVRQSA-N 469.632 6.713 50 10 JKGE COCc1cc(Br)c([C@@H](Br)c2cc(Br)ccc2F)s1 688143380 FQPDYEHQVALEKI-LBPRGKRZSA-N 472.999 6.043 50 10 JKGE CN(C[C@@H]1CCCN(Cc2ccccc2)C1)c1ccc(CBr)c(Br)c1 720016387 JECVPSGEFOBCEQ-SFHVURJKSA-N 466.261 5.692 50 10 JKGE N#C/C(=C/c1cccc(OC(=O)c2ccc(Cl)cc2)c1)C(=O)Nc1ccc(Cl)c(Cl)c1 1083975899 LUIJTXDRJBGNNL-YBEGLDIGSA-N 471.727 6.412 50 10 JKGE Cc1cc(C=NNC(=O)C(=O)Nc2ccc(C(C)C)cc2)c(C)n1-c1ccc(Br)cc1 1084355592 XEZUIGYOOUNSFL-UHFFFAOYSA-N 481.394 5.069 50 10 JKGE COc1cc(C=NNC(=O)C(c2ccccc2)c2ccccc2)ccc1OCc1ccccc1Cl 1084526460 XUKWYNRIZHCUQT-UHFFFAOYSA-N 484.983 6.210 50 10 JKGE Cc1c(C(=O)Oc2ccc(F)cc2)oc2c1C(=NNC(=O)c1cccc3ccccc13)CCC2 1772747028 CERGPXHIEGCZFT-UHFFFAOYSA-N 456.473 5.570 50 10 JKGE Cc1c(C(=O)Nc2ccc(N=Nc3ccccc3)cc2)oc2c1C(=NNC(=O)c1ccccn1)CCC2 1772747697 SJAXICCNWQRJDN-UHFFFAOYSA-N 492.539 6.121 50 10 JKGE COc1cc(C=NNC(=O)COc2cccc3ccccc23)ccc1OCc1ccccc1C 1772754457 WFUGHEODMJMHSF-UHFFFAOYSA-N 454.526 5.265 50 10 JKGE CCCCc1ccc(NC(=O)COc2cccnc2NC(=O)Nc2ccc(SC#N)cc2)cc1 1858828485 OUFZFNVOMPPBQM-UHFFFAOYSA-N 475.574 5.659 50 10 JKGE COc1ccc([C@@H]2C(C#N)=C(N)Oc3c2c(-c2ccccc2)nn3-c2cccc3ccccc23)cc1O 1865682366 MXZSCQZBYYMFGM-AREMUKBSSA-N 486.531 5.625 50 10 JKGE CCCc1nn(-c2cccc(Cl)c2)c2c1[C@@H](c1ccc(Cl)c(Cl)c1)C(C#N)=C(N)O2 1865684854 AHGTVMLYAAYQOT-IBGZPJMESA-N 459.764 6.003 50 10 JKGE N#CC1=C(N)Oc2c(c(-c3ccccc3)nn2-c2cccc3ccccc23)[C@H]1c1c(F)cccc1Cl 1865685511 JULYZPRWFMCFQA-XMMPIXPASA-N 492.941 6.703 50 10 JKGE Cc1nn(Cc2ccc(F)cc2)c2c1[C@H](c1ccc(OCc3ccccc3)cc1)C(C#N)=C(N)O2 1865689874 FNAPXYFXFSRCHR-AREMUKBSSA-N 466.516 5.176 50 10 JKGE CCCCCOc1ccc([C@H]2C(C#N)=C(N)Oc3c2c(-c2ccccc2)nn3CCC)cc1OC 1865695675 RFRQRAHZHKJOBK-DEOSSOPVSA-N 472.589 5.756 50 10 JKGE Cc1nn(-c2cccc3ccccc23)c2c1[C@H](c1cc(Br)ccc1F)C(C#N)=C(N)O2 1865702418 VIGAVLRALQUBES-JOCHJYFZSA-N 475.321 5.454 50 10 JKGE CCc1nn(-c2ccc(C)cc2)c2c1[C@H](c1ccc(OCc3ccccc3C)cc1)C(C#N)=C(N)O2 1865702624 CFZZPQBHMVAUFS-HHHXNRCGSA-N 476.580 5.849 50 10 JKGE CCCc1nn(-c2ccc(C)cc2)c2c1[C@H](c1ccc(OCc3ccccc3C)cc1)C(C#N)=C(N)O2 1865703378 UXFATWKQYJXKOP-MUUNZHRXSA-N 490.607 6.239 50 10 JKGE CCCc1nn(-c2cccc3ccccc23)c2c1[C@@H](c1cc(OC)c(OC)cc1OC)C(C#N)=C(N)O2 1865710903 LBQWALKOJYVRMD-SANMLTNESA-N 496.567 5.222 50 10 JKGE CC[C@@H]1Cc2cc(OC)ccc2N(c2cc(Nc3ccc(SC#N)cc3)nc(CCOC)n2)C1 1868253395 GCYCWVKGSPZNQI-GOSISDBHSA-N 475.618 5.711 50 10 JKGE COc1c(Br)cc(Br)cc1/C=C(\C#N)c1ccc(C(=O)OC(C)C)o1 1872728677 NRMRBKJTBKFHDQ-WUXMJOGZSA-N 469.129 5.443 50 10 JKGE COc1ccc(-c2csc(/C(C#N)=C(O)/C=C/c3ccc(OCc4ccccc4)cc3)n2)cc1F 1872752535 IHAZXFWYCGDLHA-HZUFQKOGSA-N 484.552 7.043 50 10 JKGE Cc1cc(C)c(C)c(-c2csc(/C(C#N)=C(\O)c3ccc4c(c3)C(=O)N(CC(C)C)C4=O)n2)c1C 1872754305 MHKJOPLFDKYFDR-LVWGJNHUSA-N 485.609 6.246 50 10 JKGE COc1c(C)cc(Cl)cc1-c1csc(/C(C#N)=C(\O)[C@H]2CC(=O)N([C@@H](C)c3ccccc3)C2)n1 1872757188 UDSHSPCUBCCKID-KTXKNQKHSA-N 494.016 6.183 50 10 JKGE CCCCc1ccc(-c2csc(/C(C#N)=C/c3ccc(OCc4ccc(C)cc4)c(OC)c3)n2)cc1 1872781072 UEKXTYKICYFHPV-WPWMEQJKSA-N 494.660 8.113 50 10 JKGE COc1cccc(-c2csc(/C(C#N)=C/c3ccc(OCc4ccc(Cl)cc4)c(OC)c3)n2)c1 1872781588 KWOAHURQGMPDKZ-CIAFOILYSA-N 488.996 7.124 50 10 JKGE CCOc1cc(/C=C(\C#N)c2nc(-c3cc(C)ccc3OC)cs2)ccc1OCc1ccc(C)cc1 1872791055 UENMABRGOBEQNO-BUVRLJJBSA-N 496.632 7.477 50 10 JKGE F[C@@H]1C[C@@H]1[C@H](Br)c1c(Br)sc(Br)c1Br 1884671256 RSKWAPDCVJCVKY-LWKDLAHASA-N 471.809 5.830 50 10 JKGE COC1(C(F)(F)[C@@H](Br)c2cc(Br)ccc2Br)CCC1 1912505003 AFAGPFQHHHHZBX-NSHDSACASA-N 462.954 5.852 50 10 JKGE C[C@@]1(Cn2c(CCl)nc3c(Br)cc(F)cc32)CCN(Cc2ccccc2)C1 1912670547 ROMWJLWYAYCZFW-OAQYLSRUSA-N 450.783 5.589 50 10 JKGE CN(C[C@@H](Br)COCc1ccccc1)c1nccc2c(Br)cccc12 1916333811 YIWVAVLMKVTYFU-MRXNPFEDSA-N 464.201 5.414 50 10 JKGE Cc1c(Br)sc([C@H](Br)c2ccc3c(c2)CCC3)c1Br 1922888334 PXINMUADGIPGMD-CYBMUJFWSA-N 465.048 6.555 50 10 JKGE Cc1c(Br)sc([C@H](Br)C2CC[C@H]3C[C@@H]3CC2)c1Br 1922929955 NPGHABMNPQTGIL-JBLDHEPKSA-N 457.069 6.844 50 10 JKGE Fc1c(Cl)cccc1[C@@H](Br)c1c(Br)sc(Br)c1Cl 1923054987 MXUCKHPUBKJCOJ-SSDOTTSWSA-N 497.836 7.203 50 10 JKGE Clc1c(Br)sc(Br)c1[C@H](Br)C[C@H]1C[C@@H]1C1CC1 1923063530 ZTLRSIYHHVLULX-BWZBUEFSSA-N 463.460 6.799 50 10 JKGE CC(C)(C(F)F)[C@H](Cl)c1c(Br)sc(Br)c1Br 1924612875 OTCRGTIBXNMFCO-RXMQYKEDSA-N 461.391 6.607 50 10 JKGE Clc1c(Br)sc(Br)c1[C@H](Br)C[C@@H]1C[C@H]2C[C@H]2C1 1950074174 ALSURCWKDSTUEA-ULAWRXDQSA-N 463.460 6.799 50 10 JKGE Cc1cc(Br)sc1[C@@H](Br)c1ccc(Br)cc1Cl 1950207628 IVIDJYDOESGUFG-NSHDSACASA-N 459.428 6.719 50 10 JKGE CN(CCN(Cc1ccccc1)c1cc([N+](=O)[O-])ccc1CBr)Cc1ccccc1 1983440436 HNAWTMMAFPBNIH-UHFFFAOYSA-N 468.395 5.628 50 10 JKGE Cc1c(Cl)cc(CN(Cc2ccccc2)[C@H](CBr)C(C)C)cc1Br 2002243286 YOFXPSXJJSDSMN-HXUWFJFHSA-N 473.680 6.833 50 10 JKGE CC(F)(F)CCC[C@H](Cl)c1c(Br)sc(Br)c1Br 2023312059 RAARXXOSJSZGHV-YFKPBYRVSA-N 475.418 7.141 50 10 JKGE CCCCC[C@H](CC)O[C@]1(CI)CCCN(C(=O)OC(C)(C)C)C1 2026329621 TTWGPQXOFYFQLX-LPHOPBHVSA-N 453.405 5.567 50 10 JKGE N#CC(=C(Nc1ccc(F)cc1)SCC(=O)c1ccc(Cl)s1)c1nc2ccccc2s1 2040466817 MNSBGWXAQNNRBA-UHFFFAOYSA-N 486.018 7.071 50 10 JKGE CC(C)(C)OC(=O)N1CCC[C@](CI)(OC[C@@H]2C[C@H]2C2CCCC2)C1 2079995267 KPLRGFSARBWNBF-ABSDTBQOSA-N 463.400 5.034 50 10 JKGE Brc1cccc(CN2CC[C@@H]3C[C@@H](Br)CC[C@H]32)c1Br 2092330020 DGKMLJRTNYPOGU-SCDSUCTJSA-N 452.028 5.350 50 10 JKGE Cc1csnc1CC(CBr)(CBr)c1ccc(Br)cc1 2097002123 SCCWCXMKMBECAO-UHFFFAOYSA-N 468.052 5.484 50 10 JKGE CC1(C)CCC[C@H]([C@H](Cl)c2c(Br)sc(Br)c2Br)CC1 2100838838 NZUARLXPNVADLO-KWQFWETISA-N 493.530 7.922 50 10 JKGE Cc1c(Br)sc([C@@H](Br)[C@@H]2CCCCCC2(F)F)c1Br 2108661340 FNGQEXWTOWOVNU-WPRPVWTQSA-N 481.038 7.233 50 10 JKGE CC1([C@@H](Cl)c2c(Br)sc(Br)c2Br)CCCCCCC1 2116022422 HEIWHHCSTFSUFP-NSHDSACASA-N 493.530 8.066 50 10 JKGE COc1c(Cl)cc(Br)cc1[C@H](Br)c1c(Br)cnn1C 2138245211 BROADRLMQDNWQV-JTQLQIEISA-N 473.390 5.091 50 10 JKGE COc1cc(Br)c(C)cc1[C@H](Br)c1cccc(Br)c1C 2145961507 IWJTVIQJHUCFKO-MRXNPFEDSA-N 463.007 6.321 50 10 JKGE Clc1ccc([C@H](Br)c2cc(Br)c3c(c2)CCO3)cc1Br 2146630431 XDFPZFYPIAKDIK-AWEZNQCLSA-N 481.409 6.284 50 10 JKGE C[C@H]1Cc2cc([C@H](Br)c3cccc(Br)c3Br)ccc2O1 2148751840 RNKMCESJBGFZDT-VFZGTOFNSA-N 460.991 6.019 50 10 JKGE CC(C)(C)[C@@H]1CC[C@H](Br)[C@H](Cc2c(Br)cccc2Br)C1 2150493185 JJIAIPFKVOPRMB-SCRDCRAPSA-N 467.083 6.980 50 10 JKGE CS(=O)(=O)c1sccc1[C@H](Br)c1cc(C2CC2)c(Br)s1 2151035279 YWQXNGICRYKNLJ-NSHDSACASA-N 456.246 5.337 50 10 JKGE Cn1nc(C[C@@H](CBr)Cc2ccccc2Br)c(Br)c1Cl 2152981184 JGILIWPSYQZVNN-VIFPVBQESA-N 485.445 5.395 50 10 JKGE CC1(C)C[C@H](n2c(CCl)nc3c(Br)cc(F)cc32)CN1Cc1ccccc1 2154533646 BGKGAZVEIVUKBR-INIZCTEOSA-N 450.783 5.902 50 10 JKGE Brc1cccc(CC[C@@H](Br)CN2CCCCCC2)c1Br 2155643153 JIBPJHTZUJPAHC-CQSZACIVSA-N 468.071 5.784 50 10 JKGE Cc1cc([C@H](Br)c2cc(Br)cc3c2O[C@@H](C)C3)c(Br)s1 2157244631 CAUPCPSJQVNPSH-WPPNPWJKSA-N 481.047 6.389 50 10 JKGE CCn1cc(S(=O)(=O)N(Cc2ccccc2)CC2CCCCC2)cc1CBr 2179785642 OXBHCDNCAINOSF-UHFFFAOYSA-N 453.446 5.174 50 10 JKGE CC1(C)CCC[C@H](CO[C@H](CI)c2ccccc2Br)O1 2185558421 ARLLLELJSUDFHW-IUODEOHRSA-N 453.158 5.290 50 10 JKGE C[C@](CI)(OC[C@](C)(F)C(F)(F)F)c1ccccc1Br 2191876059 UDGBDNNFPOLANT-NEPJUHHUSA-N 469.054 5.406 50 10 JKGE Cc1cc(Br)c(C)c([C@@H](Br)[C@@H]2C(F)(F)C23CCC3)c1Br 2201067375 KMCQEBPTMQZGDN-OLZOCXBDSA-N 472.993 6.700 50 10 JKGE COc1cc2c(cc1Br)nc([C@@H](C)Cl)n2CCCCOCc1ccccc1 2202311661 IEAALDUORRKJFC-OAHLLOKOSA-N 451.792 6.104 50 10 JKGE Fc1ccc(Br)c(CO[C@@H](CBr)c2ccccc2Br)c1 2206272827 CFYGTIPWFAKSIU-HNNXBMFYSA-N 466.970 6.004 50 10 JKGE COc1cc(Br)c(F)cc1Oc1ccc(CBr)c(Br)c1 2207467206 YMZLNSKVNDFNEQ-UHFFFAOYSA-N 468.942 6.047 50 10 JKGE Cc1sc([C@@H](Br)c2sc(Br)c(C)c2C)cc1Br 2213748250 JMXSWPBFVKSYPZ-SNVBAGLBSA-N 459.066 6.744 50 10 JKGE CC(C)[C@@H](CCl)N(Cc1ccccc1)S(=O)(=O)Cc1ccsc1Br 2213760944 NKPUBMIAKDWWAD-MRXNPFEDSA-N 450.851 5.106 50 10 JKGE Cc1c(Br)sc([C@@H](Br)c2ccc(Br)cc2Cl)c1C 2218790422 MDBLNVSBMQIYHO-NSHDSACASA-N 473.455 7.028 50 10 JKGE Brc1cc([C@@H](Br)c2ccc3c(c2Br)CCO3)ns1 2222191439 VHSXOSYEAIRBEO-LBPRGKRZSA-N 453.981 5.087 50 10 JKGE Br[C@H](c1ccc([C@H]2CCOC2)s1)c1sccc1I 2223725999 RPPWTHKSLXQROG-QPUJVOFHSA-N 455.180 5.402 50 10 JKGE Cc1ccc(C)c([C@@H](Br)c2cc(Br)c(Br)cc2F)c1 2225615055 CDDAPGLLDDHWQD-OAHLLOKOSA-N 450.971 6.452 50 10 JKGE C[C@@H]1O[C@H](C)[C@H]([C@H](Br)c2cc(Br)c(Br)cc2F)[C@@H]1C 2225618606 YTKGZUCWGRMMST-ZTWQFBCISA-N 458.991 5.846 50 10 JKGE Fc1ccc(Br)c([C@H](Cl)c2c(Br)cc(Cl)c(Cl)c2Cl)c1 2232510788 HYKJVWGPXVQROF-NSHDSACASA-N 481.801 7.639 50 10 JKGE Cc1cc(Br)c([C@@H](Cl)c2ccc(F)cc2I)c(C)c1Cl 2232530600 STJUVSJMVGWBDW-HNNXBMFYSA-N 487.965 6.791 50 10 JKGE CCC1CCC([C@H](Br)c2c(Br)cc(C)c(Br)c2C)CC1 2235603539 JSTZSIQZZGEFRI-FVKWTLKZSA-N 467.083 7.481 50 10 JKGE Cc1cc(Br)cc([C@H](Cl)c2c(Br)cc(C)c(Br)c2C)c1 2235605491 SBKYCPQCGQZEDF-INIZCTEOSA-N 481.453 7.228 50 10 JKGE Brc1cc2sc([C@H](Br)c3ccoc3Br)cc2s1 2252873558 FCBSRDFQFXJHKF-SNVBAGLBSA-N 457.006 6.565 50 10 JKGE CC1([C@@H](Br)c2sc(Br)cc2Br)CC(C(F)(F)F)C1 2253657263 ZXXQXLAAMFMTDK-IELQSLLHSA-N 470.974 6.688 50 10 JKGE Clc1cccc([C@H](Br)Cc2ncccc2Br)c1Br 2256123973 SSNJQCOUIIXUPE-SNVBAGLBSA-N 454.387 5.939 50 10 JKGE Cc1c(Br)sc([C@H](Cl)c2cccc(Cl)c2Br)c1Br 2256124544 CQMKPRFZVLIBSY-SNVBAGLBSA-N 493.873 7.326 50 10 JKGE Cn1ncc([C@@H](Cl)Cc2cc(Br)cc(Br)c2)c1Br 2263513892 UJALGMHTEUZLMG-NSHDSACASA-N 457.391 5.230 50 10 JKGE CCCCc1ccc([C@H](Br)c2ccc(I)c(Cl)c2)s1 2264368440 JNVBDVBNERBRQM-OAHLLOKOSA-N 469.613 6.833 50 10 JKGE COC[C@]1(C)C[C@H]1[C@H](Br)c1c(Br)cc(Cl)c(Cl)c1Cl 2269305517 YAFYHLKYRJDYOY-XQBZDOOFSA-N 451.413 6.518 50 10 JKGE CO[C@@H]1CC[C@H]([C@@H](Br)c2c(F)cc(Br)c(F)c2Br)C1 2272725805 GEMDLTFRCUAOEF-MVKOHCKWSA-N 462.954 5.741 50 10 JKGE FC1(F)CC[C@H]([C@H](Br)c2c(Br)cc(Cl)c(Cl)c2Cl)C1 2277734106 KAAAUIYREZKFFH-CDUCUWFYSA-N 457.367 7.281 50 10 JKGE Brc1cc(Br)cc(C[C@H](Br)C[C@H]2CCC23CCC3)c1 2277966996 XKGUOECHUCQDAJ-OLZOCXBDSA-N 451.040 6.488 50 10 JKGE COc1cc(Cl)c(Cl)cc1[C@@H](Br)c1cc(Cl)ccc1Br 2279058548 VQPNMCSVBVVPBU-AWEZNQCLSA-N 459.392 6.902 50 10 JKGE COc1cc(OCc2c(Br)cccc2Br)ccc1CBr 2282820888 WPNQUEWHMRETRA-UHFFFAOYSA-N 464.979 5.694 50 10 JKGE Clc1cccc([C@@H](Br)c2cc(Br)cc3c2OCC3)c1Br 2283188966 OUZUHBHPVSVSEI-CYBMUJFWSA-N 481.409 6.284 50 10 JKGE O=C(Cl)C=Cc1ccc(OCc2ccc(Br)cc2)c(I)c1 2293940810 GEBHHFFSNQJKLV-UHFFFAOYSA-N 477.523 5.411 50 10 JKGE Fc1cc(Cl)c([C@@H](Br)c2cc3sc(Br)cc3s2)cc1F 2295491898 CXSBZQBNTAZEAU-CYBMUJFWSA-N 458.574 7.141 50 10 JKGE O=C(CSc1nnc(-c2ccc(Cl)cc2)n1-c1ccccc1)NN=CC=Cc1ccco1 2296679458 JPAPBIKFHUBPPL-UHFFFAOYSA-N 463.950 5.088 50 10 JKGE Cc1ccc(-c2ccc(C=C(C#N)c3nc(-c4cc5ccccc5oc4=O)cs3)o2)c([N+](=O)[O-])c1 2296834477 WSVMDTOMHTZOGH-UHFFFAOYSA-N 481.489 6.457 50 10 JKGE COc1ccc(-c2csc(C(C#N)=CNc3ccccc3I)n2)cc1 2297449851 AHHMZJVIPPBMEL-UHFFFAOYSA-N 459.312 5.400 50 10 JKGE Cn1ncc(Cl)c1[C@H](Br)c1ccc(OCc2ccccc2)cc1Br 2299534551 FEXCHBKUULOMET-QGZVFWFLSA-N 470.592 5.899 50 10 JKGE Fc1c(Br)cc(Cl)c([C@H](Br)c2ccsc2)c1Br 2300179372 RZZBHYNUEZLGFN-SECBINFHSA-N 463.391 6.550 50 10 JKGE Cc1sc([C@@H](Cl)c2ccc(Cl)cc2I)cc1Br 2301794813 QQSIQYBZNWFYME-LBPRGKRZSA-N 461.977 6.405 50 10 JKGE CC(C=Cc1ccccc1)=NNC(=O)CSc1nnc(CCc2ccccc2)n1-c1ccccc1 2313589002 RPMMSQBPAJSXMR-UHFFFAOYSA-N 481.625 5.350 50 10 JKGE Cc1ccc(C)c(NC(=O)C(C#N)=Cc2cc(Br)ccc2OCc2cccc(Cl)c2)c1 2313667756 VEPACOZEIFGBFW-UHFFFAOYSA-N 495.804 6.844 50 10 JKGE N#CC(=Cc1cn(-c2ccccc2)nc1-c1ccc(Cl)cc1)C(=O)Nc1ccc2ccccc2c1 2314486627 DTXOVMVNZYSHGY-UHFFFAOYSA-N 474.951 6.892 50 10 JKGE N#CC(=Cc1ccc2noc(-c3ccccc3)c2c1)c1nc(-c2ccc(Br)cc2)cs1 2314490071 XSBIAUFEXZTHRC-UHFFFAOYSA-N 484.378 7.445 50 10 JKGE N#CC(=Cc1ccc(-c2ccc(Cl)cc2Cl)o1)C(=O)Nc1ccc(Cl)cc1Cl 2314572183 VMPKHKCWIYAOQL-UHFFFAOYSA-N 452.124 7.106 50 10 JKGE C=CCNC(=O)C(C#N)=C1S[C@@H](Cc2ccc(C(C)C)cc2)C(=O)N1c1ccc(C(C)C)cc1 2314593036 GJZQBGMORXPREJ-VWLOTQADSA-N 473.642 5.662 50 10 JKGE CCCCCCN1C(=O)C(=Cc2ccc(OCc3ccccc3Cl)c(OC)c2)C(C)=C(C#N)C1=O 2314611583 XQEOZSOQAGJLEH-UHFFFAOYSA-N 493.003 6.100 50 10 JKGE CCOc1ccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)C=Cc4ccc(C)cc4)ccc32)cc1OC 2314634630 QFNCVYXUSKYSNO-NDEPHWFRSA-N 482.536 5.239 50 10 JKGE C[C@H]1C[C@H]2C[C@]([C@@H](Br)c3ccc(OCc4ccccc4)cc3Br)(C2)O1 2319804494 XKWBIYXQIIZUGH-PQOQACGUSA-N 466.213 6.422 50 10 JKGE CCCCCCCCCOc1ccc(C=NNC(=O)c2ccc(C)cc2)cc1Br 2323075979 GFKPPGUTJAGOHK-UHFFFAOYSA-N 459.428 6.651 50 10 JKGE CC(C)(C)c1ccc(Cn2cccc(C(=O)NN=Cc3ccc(Cl)c(Cl)c3)c2=O)cc1 2323665436 QSGUXMMESODPRE-UHFFFAOYSA-N 456.373 5.265 50 10 JKGE Cc1cc(OCc2ccc(CCl)cc2)cc2c1C(=O)C(=Cc1ccc(Cl)c(Cl)c1)O2 2325342713 MHWYEYBPDJIRFK-UHFFFAOYSA-N 459.756 7.236 50 10 JKGE COc1cc(C=C(C#N)c2cc3c(cc2[N+](=O)[O-])OCCO3)ccc1OCc1ccccc1F 2331051445 SXFFAULLUYZRBU-UHFFFAOYSA-N 462.433 5.157 50 10 JKGE C[C@H](c1ccccc1)N1C[C@H](C(O)=C(C#N)c2nc(-c3ccc(F)cc3F)cs2)CC1=O 2331286594 OEYZNUWJMBKBFN-GDBMZVCRSA-N 451.498 5.491 50 10 JKGE CCCCc1ccc(N2C[C@@H](C(O)=C(C#N)c3nc(-c4cccc5ccccc45)cs3)CC2=O)cc1 2331339134 JLMXEMWTJNCMJS-QFIPXVFZSA-N 493.632 7.152 50 10 JKGE Cc1c(C(O)=C(C#N)c2nc(-c3ccc(C(C)C)cc3)cs2)cc([N+](=O)[O-])cc1[N+](=O)[O-] 2331343012 MZNVTAGTARSYPT-UHFFFAOYSA-N 450.476 6.008 50 10 JKGE COc1ccc(C=C(C(O)=C(C#N)c2nc(-c3c(C)c(C)cc(C)c3C)cs2)c2ccccc2)cc1 2331364594 OLNVHDMUBFUAQZ-UHFFFAOYSA-N 492.644 8.086 50 10 JKGE CCCCC1CCC(C(O)=C(C#N)c2nc(-c3cc(Cl)c(OC)cc3OC)cs2)CC1 2331381235 ZTCMBXXKYYXHEZ-UHFFFAOYSA-N 461.027 7.270 50 10 JKGE COc1ccc(-c2csc(C(C#N)=C(O)CCCOc3cc(C)c(Cl)c(C)c3)n2)cc1Cl 2331398358 LXCROFWBRHELAP-UHFFFAOYSA-N 489.424 7.394 50 10 JKGE N#CC(=Cc1ccc(OC(=O)c2ccccc2)cc1)c1nc(-c2ccc(-c3ccccc3)cc2)cs1 2331414264 RGPJHUDIJRWWLS-UHFFFAOYSA-N 484.580 7.760 50 10 JKGE COc1cc(C)c(-c2csc(C(C#N)=Cc3ccc(OCc4ccccc4)cc3)n2)cc1C 2331484285 AUSKZIPLYVQVHH-UHFFFAOYSA-N 452.579 7.079 50 10 JKGE Cn1nc([C@@H](Br)c2c(F)cc(Cl)c(Br)c2Cl)cc1Cl 2335356738 UKINPFGVPLUOBM-SNVBAGLBSA-N 451.348 5.766 50 10 JKGE FC(F)(F)[C@]12C[C@]([C@H](Br)c3cc(Br)sc3Br)(CO1)C2 2338512208 KIMOXAGFFZOYDP-SZEHBUNVSA-N 484.957 5.821 50 10 JKGE Clc1cc(I)c([C@H](Br)c2cccc3c2CCCC3)s1 2338560083 GXJWBXCSPDBANH-CQSZACIVSA-N 467.597 6.369 50 10 JKGE Clc1c(Br)sc(Br)c1[C@H](Cl)[C@@H]1COC2(CCC2)CO1 2338784768 QRZRNXUASOREAW-POYBYMJQSA-N 451.007 5.545 50 10 JKGE COCC1(C[C@H](Br)c2c(C)cc(Br)c(F)c2Br)CC1 2339678572 HXHUEOIGQQTBNE-JTQLQIEISA-N 458.991 5.912 50 10 JKGE CC1(C)CC[C@@H](CBr)N(Cc2ccc(Cl)cc2I)C1 2341029466 GGDGBAZLEJGRSF-ZDUSSCGKSA-N 456.593 5.330 50 10 JKGE Fc1ccccc1C(CBr)(CBr)Cc1nc(Br)cs1 2342921783 MAEQQDPLRNVRRY-UHFFFAOYSA-N 472.015 5.315 50 10 JKGE C[C@H]1CN(Cc2ccc(I)c(Br)c2)CC[C@@H]1CCCl 2349860090 HLSBSJGZJVIHRL-AAEUAGOBSA-N 456.593 5.141 50 10 JKGE FC(F)Oc1cccc([C@@H](Br)c2ccc(OCc3ccccc3)cc2Br)c1 2361195820 RVKXCSPPLSFXLY-HXUWFJFHSA-N 498.161 7.114 50 10 JKGE O=C(c1cc(Br)c(Br)s1)N1CC[C@@H](Cl)C[C@H]1C(F)(F)F 2361449062 JOQHWCCDIZAXJE-XRGYYRRGSA-N 455.521 5.047 50 10 JKGE COc1c(Br)cc(C)c([C@H](Br)[C@@H]2CCC[C@H](C)C2)c1Br 2365189518 VUMLGWIKBVHMCB-DRCTWCGVSA-N 469.055 6.791 50 10 JKGE COc1c(Br)cc(C)c([C@@H](Br)c2c(C)coc2C)c1Br 2365234400 IYJBHAXQZACJKF-ZDUSSCGKSA-N 466.995 6.223 50 10 JKGE COc1c(F)cc([C@H](Br)c2cc(Br)ccc2Br)cc1F 2370436021 BNBINRABTADGST-ZDUSSCGKSA-N 470.933 5.983 50 10 JKGE COc1c(F)cc([C@H](Br)Cc2ccccc2I)cc1F 2370459103 AWIYJMDZBHAXGN-LLVKDONJSA-N 453.064 5.257 50 10 JKGE CN(C(=O)OC(C)(C)C)C1CCC2(CCCN2C[C@]2(CBr)CC2(F)F)CC1 2379986013 XAJLLUVZIMDBRZ-ZCDLSOSASA-N 451.396 5.051 50 10 JKGE Clc1ccccc1C[C@H](CBr)Cc1cc(I)ccc1Cl 2380467460 XNZBKLQPQVPERT-NSHDSACASA-N 484.002 6.394 50 10 JKGE O=C(NC1CCCCC1)[C@H](c1cccc(Br)c1)N(Cc1cccs1)C(=O)CCl 3040226 PXDVFSRTICWCKT-FQEVSTJZSA-N 483.859 5.268 50 10 JKGE N#C/C(=C/c1ccc(-c2ccc(Br)cc2)o1)c1nc2ncc(Br)cc2[nH]1 33590626 VLNRUPLOXPWHHW-GHXNOFRVSA-N 470.124 5.807 50 10 JKGE N#C/C(=C/c1cc(Br)ccc1OCc1ccc(Cl)cc1)c1nc2ccccc2s1 34719000 XGIDTUUYYJNSLC-BOPFTXTBSA-N 481.802 7.355 50 10 JKGE CC(C)Oc1ccc(-c2nn(-c3ccccc3)cc2/C=C(/C#N)c2nc3ccccc3s2)cc1 34746734 CETZPNVTSLLJNR-PGMHBOJBSA-N 462.578 7.000 50 10 JKGE CCCOc1ccccc1[C@H]1C(C#N)=C(N)Oc2cc(OC(=O)Cc3cccc4ccccc34)ccc21 38681648 IZNPKAUWKWCAHZ-SSEXGKCCSA-N 490.559 5.995 50 10 JKGE CCCOc1ccccc1[C@H]1C(C#N)=C(N)Oc2cc(OC(=O)Cc3ccc(Cl)cc3)ccc21 38681854 XEFKVAGKGVVURI-AREMUKBSSA-N 474.944 5.495 50 10 JKGE CC(C)CCOc1cccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4cccc(Cl)c4)ccc32)c1 38684710 YYRHXYLHIRBQPL-SANMLTNESA-N 488.971 6.202 50 10 JKGE CCOc1ccc(NC(=O)/C(C#N)=C/c2cccc(OCc3ccc(Cl)cc3Cl)c2)cc1 40006641 QTLNTEPXYLUGOL-XDHOZWIPSA-N 467.352 6.517 50 10 JKGE COc1cc(/C=C(\C#N)c2ccc(Cl)cc2)ccc1OC(=O)COc1cc(C)ccc1C(C)C 40850976 DSXMBKNFJCYAEU-HYARGMPZSA-N 475.972 6.829 50 10 JKGE COc1ccc(/C=N/NC(=O)c2cc3cc(Br)ccc3o2)cc1Cc1ccccc1 59305175 BTVATHDVNPZQHJ-CVKSISIWSA-N 463.331 5.559 50 10 JKGE CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(F)cc2)ccc1OCc1ccccc1Cl 59534970 ZTSYDPZUXDEDER-CPNJWEJPSA-N 450.897 6.002 50 10 JKGE Fc1ccc(Br)c([C@@H](Br)c2cc(F)c(Br)cc2F)c1 70474506 YOBPYIVTSRYWQA-CYBMUJFWSA-N 458.897 6.113 50 10 JKGE COc1ccc(C[C@@H]2S/C(=C(C#N)\C(O)=N\c3ccc(C)cc3)N(c3ccc(C)cc3)C2=O)cc1 97497881 XMHQDTLUGVZDET-UZEPBSNMSA-N 483.593 6.027 50 10 JKGE C[C@@H](Cl)c1nc2cc(Br)cnc2n1-c1cc(Br)ccc1Br 98040111 VRQQDQBJEWKHDX-SSDOTTSWSA-N 494.412 6.008 50 10 JKGE CCCCCCCOc1ccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4ccccc4C)ccc32)cc1 101377611 JXZKRIUCQPQMTF-GDLZYMKVSA-N 496.607 6.782 50 10 JKGE Fc1ccc(Br)c([C@@H](Cl)c2cc(Br)ccc2Br)c1 109803294 QEQRQQOGTSEQJV-ZDUSSCGKSA-N 457.362 6.441 50 10 JKGE Cc1c(Br)cccc1[C@H](Cl)c1cc(Br)ccc1Br 115161270 GTMZYKSNHVYZBI-AWEZNQCLSA-N 453.399 6.611 50 10 JKGE C[C@H](Br)c1ccccc1NC(=O)c1cc(Br)ccc1Br 161225728 JZIAQLKFTIKNIE-VIFPVBQESA-N 461.979 5.920 50 10 JKGE Clc1cccc([C@H](CI)OCc2ccccc2Br)c1 162550217 UDODOWWZQFOEEL-HNNXBMFYSA-N 451.529 5.795 50 10 JKGE CCCCOc1ccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)/C=C\c4ccc(OC)cc4)ccc32)cc1 205642863 FCXPMQNSOZFGLN-ZLZCVHDKSA-N 496.563 5.711 50 10 JKGE CCCCCCOc1ccc(/C=C(/C#N)C(=O)Oc2ccc(/C=C/C#N)cc2OC)cc1OC 207200164 BWELTRVPLFCNSF-GULAPWRBSA-N 460.530 5.712 50 10 JKGE CCCCCCOc1ccc(/C=C(/C#N)C(=O)Nc2nnc(SCCC)s2)cc1OC 207200956 BKNVDZVRXTVYAF-LGMDPLHJSA-N 460.625 5.554 50 10 JKGE Cc1ccc2nc(-c3ccc(N/C=C(/C#N)C(=O)N[C@H](C)C45CC6CC(CC(C6)C4)C5)cc3)sc2c1 217053561 XLVOKXSDACWXGH-KOFIJFOFSA-N 496.680 6.812 50 10 JKGE COc1ccc([C@H](C)NC(=O)/C(C#N)=C\Nc2ccc(Cl)cc2C(F)(F)F)cc1OC 217174718 DRWWDVIUSZDNRL-PBBNAPBQSA-N 453.848 5.073 50 10 JKGE CCOc1ccc(C)cc1[C@H](C)NC(=O)/C(C#N)=C\Nc1ccccc1Sc1ccccc1 217184185 NYGURJCSROFILS-HUZQBFDWSA-N 457.599 6.242 50 10 JKGE COc1ccc([C@H](Cl)c2cccc(I)c2)c(OC)c1Br 224842029 ZXQMDYDULYPYAT-CQSZACIVSA-N 467.528 5.399 50 10 JKGE COc1ccc([C@@H](Cl)c2cc(Br)ccc2Cl)c(OC)c1Br 224844538 UVBCQSBAVLVXQW-CQSZACIVSA-N 454.973 6.210 50 10 JKGE Clc1c(Br)cccc1[C@@H](Br)c1csc2c(Br)cccc12 228454084 MZZMRKJFPTVMSY-CYBMUJFWSA-N 495.461 7.564 50 10 JKGE Cc1ccc(C[C@H](Br)c2cc(I)ccc2Br)cc1C 235920502 DMQDNVBYZOPWMV-INIZCTEOSA-N 494.008 6.349 50 10 JKGE C=CCOc1ccc(C=NNC(=O)Cc2csc(Nc3cccc(C(F)(F)F)c3)n2)cc1Cl 252628326 SNVPEHXGXBGRMP-UHFFFAOYSA-N 494.926 5.817 50 10 JKGE CCOc1ccc(NC(=O)C(=O)NN=C2CC[C@@H]3[C@@H]4CCc5cc(OC)ccc5[C@@H]4CC[C@@]23C)cc1 254303671 MNXVBXWQINRGGF-GYKHTSFTSA-N 489.616 5.061 50 10 JKGE CCn1c(SCC(=O)NN=C/C(C)=C\c2ccccc2)nnc1-c1ccc(C(C)(C)C)cc1 254523678 HKKCAUMWTSTXRM-YMQLHWSVSA-N 461.635 5.560 50 10 JKGE COc1cc(C(C)=NNC(=O)CSc2nnc(-c3ccc(C)cc3)n2C2CCCCC2)ccc1O 254877914 NKFHOBOXBQRYLL-UHFFFAOYSA-N 493.633 5.105 50 10 JKGE Brc1cc2c(cc1[C@@H](Br)c1ccc(I)cc1)CCO2 308436214 NSBFRHLXNMBXLH-HNNXBMFYSA-N 493.964 5.473 50 10 JKGE CN(c1ccc(Br)cc1CBr)C1CCN(Cc2ccccc2)CC1 310145069 NSYISHMMYKLVLF-UHFFFAOYSA-N 452.234 5.445 50 10 JKGE COc1ccc([C@H](Br)c2ccccc2OCc2ccccc2)cc1Br 310837908 HCTQWRIPZYKYRE-NRFANRHFSA-N 462.181 6.521 50 10 JKGE BrCC(CBr)(COC1CCCCC1)c1ccccc1Br 312351905 XVMCTOWZRIRDFS-UHFFFAOYSA-N 469.055 5.826 50 10 JKGE CCOc1ccc([C@@H](Br)c2sccc2I)cc1OCC 312402415 PJYDDAWWLQSFCK-CQSZACIVSA-N 467.166 5.634 50 10 JKGE CO[C@@H]1CCCC[C@@H]1Oc1c(Br)cc(Br)cc1CBr 382204180 GXYBLIASYIJTQV-OLZOCXBDSA-N 457.000 5.443 50 10 JKGE COc1cc(Br)ccc1[C@H]1CN(Cc2ccccc2)C[C@@H]1CI 382696887 LFCBQUABRKRPOC-YJBOKZPZSA-N 486.191 5.108 50 10 JKGE Clc1cc(Br)ccc1[C@H]1CN(Cc2ccccc2)C[C@H]1CI 382710265 GWRJPCHDYQYVCW-PBHICJAKSA-N 490.610 5.753 50 10 JKGE Clc1cccc([C@H](CBr)Cc2cc(Cl)ccc2I)c1 405513119 GIXBRNWKSLFIDF-LBPRGKRZSA-N 469.975 6.319 50 10 JKGE CC(C)(C)[Si](C)(C)OCCc1cccc([C@H]2CCOCCN2S(=O)(=O)c2ccccc2)c1 616597508 AHMDTRABXDADQR-XMMPIXPASA-N 475.727 5.403 50 10 JKGE COc1ccc(Oc2c(F)cc(CBr)cc2F)cc1I 712919275 KDZIOIISZPIHRZ-UHFFFAOYSA-N 455.036 5.265 50 10 JKGE CC(C)(c1ccccc1)c1ccc(OCC(=O)NN=Cc2ccc3c(c2)Cc2ccccc2-3)cc1 1083868818 PPMHDTUDZYATEB-UHFFFAOYSA-N 460.577 6.113 50 10 JKGE O=C(NN=Cc1cc(-c2ccccc2)n(-c2ccc(Cl)cc2)c1-c1ccccc1)c1ccncc1 1083972468 JBIHJLWVQGQODZ-UHFFFAOYSA-N 476.967 6.624 50 10 JKGE O=C(CC[C@H](O)c1ccccc1)NN=Cc1cc(Br)ccc1OCc1ccccc1F 1084016029 MLWNHTLNZXXBSY-QFIPXVFZSA-N 485.353 5.131 50 10 JKGE Cc1ccccc1CSCC(=O)NN=Cc1cc(C)n(-c2ccc(Br)cc2)c1C 1084545905 DZBGXGBTDZSJTH-UHFFFAOYSA-N 470.436 5.549 50 10 JKGE N#C/C(=C/c1cc(Cl)ccc1OCc1ccc(Cl)cc1)C(=O)Nc1cccc(Cl)c1 1084578830 AYFNUGYGFMMTKY-YVLHZVERSA-N 457.744 6.771 50 10 JKGE Cc1ccc(NC(=O)/C(C#N)=C/c2cc(C)n(-c3ccc(OCc4ccccc4)cc3)c2C)cc1 1084604174 HQFWRUUNVXVTMX-NLRVBDNBSA-N 461.565 6.527 50 10 JKGE CCN(C(=O)c1oc2c(c1C)C(=NNC(=O)c1ccccc1Br)CCC2)c1ccccc1 1772743756 HNOVLFBCAPKUDR-UHFFFAOYSA-N 494.389 5.488 50 10 JKGE Cc1ccc(C(=O)NN=C2CCCc3oc(C(=O)Nc4cccc5ccccc45)c(C)c32)cc1 1772744240 ALSKFQAKPIIMEO-UHFFFAOYSA-N 451.526 5.772 50 10 JKGE Cc1cccc(C(=O)NN=C2CCCc3oc(C(=O)Nc4ccc(Oc5ccccc5)cc4)c(C)c32)c1 1772745083 RQSCXSCJPVZDNE-UHFFFAOYSA-N 493.563 6.411 50 10 JKGE CCCCCOc1ccc(C=NNC(=O)CSc2nc3ccccc3s2)cc1OCC 1772760393 INOQCEQWNXXSJT-UHFFFAOYSA-N 457.621 5.506 50 10 JKGE CCCOc1ccc(/C=C/C(=O)NNC(=O)c2ccc(-c3ccc4ccccc4c3)s2)cc1 1860391544 MYZGGACKQZIZFF-CXUHLZMHSA-N 456.567 5.832 50 10 JKGE CCN(CC)c1ccc([C@H]2C(C#N)=C(N)Oc3c2c(-c2ccccc2)nn3-c2cccc(Cl)c2)cc1 1865701859 GWNGLKMGAAIYCE-VWLOTQADSA-N 496.014 6.257 50 10 JKGE N#CC1=C(N)Oc2c(c(-c3ccccc3)nn2-c2ccccc2Cl)[C@H]1c1ccc(F)cc1F 1865702342 TWRAXLJYAWUMEX-NRFANRHFSA-N 460.871 5.689 50 10 JKGE COc1ccc(-c2nn(Cc3ccc(C)cc3)c3c2[C@@H](c2cccc(F)c2)C(C#N)=C(N)O3)cc1 1865710812 JFGFWVHEKXXHJV-DEOSSOPVSA-N 466.516 5.273 50 10 JKGE Cc1cccc([C@@H]2C(C#N)=C(N)Oc3c2c(C(F)(F)F)nn3Cc2ccc(Cl)c(Cl)c2)c1 1865711013 NYYRZQDFCPCVDB-QGZVFWFLSA-N 479.289 5.784 50 10 JKGE CCCOc1ccc(/C=N\NC(=O)c2ccc(-c3ccc(Cl)cc3)nc2C)cc1OCC 1865762054 LBVJCJHPLBLXPD-YUMHPJSZSA-N 451.954 5.662 50 10 JKGE CC[C@@H](C(=O)N[C@H](Cc1ccccc1)C(=O)Nc1ccc(SC#N)cc1)c1ccc(Cl)cc1 1866955350 LJKNHFVHBLQQFD-DNQXCXABSA-N 478.017 5.773 50 10 JKGE CC[C@](C)(NC(=O)[C@@H](c1ccc(Cl)c(Cl)c1)C(C)C)C(=O)Nc1ccc(SC#N)cc1 1866997207 RRIAVAIRWZRBTL-OFNKIYASSA-N 478.445 6.230 50 10 JKGE CCC[C@H](NC(=O)Cc1nc(-c2ccc(C(C)C)cc2)oc1C)C(=O)Nc1ccc(SC#N)cc1 1867183813 ZLSQOWOKUPFMIJ-QHCPKHFHSA-N 490.629 5.813 50 10 JKGE CCN(CC)c1ccc(/C=C2\Oc3cc(OCc4cccc(CCl)c4)cc(C)c3C2=O)cc1 1871437226 MZOZYQWUKNYXEA-YSMPRRRNSA-N 461.989 6.775 50 10 JKGE COc1ccc(-c2csc(/C(C#N)=C(\O)[C@H]3CC(=O)N(c4cc(Cl)ccc4OC)C3)n2)cc1C 1872746484 KBGCICDJFFLRPD-YKTMHCBJSA-N 495.988 5.635 50 10 JKGE COc1cc(/C(O)=C(\C#N)c2nc(-c3cccc4ccccc34)cs2)c([N+](=O)[O-])cc1OC 1872751732 CMTHYCUIVJIPSL-NKFKGCMQSA-N 459.483 5.839 50 10 JKGE CCc1ccc(OCCC/C(O)=C(\C#N)c2nc(-c3cc(Cl)ccc3Cl)cs2)cc1 1872758924 WZCQYNSCSFJLFO-QOCHGBHMSA-N 459.398 7.331 50 10 JKGE CCOc1c(Br)cc(/C=C(\C#N)c2nc(-c3ccccc3OC)cs2)cc1OC 1872784094 CDANMYUPURPILQ-OQLLNIDSSA-N 471.376 6.053 50 10 JKGE C[C@@H](Oc1ccc(Cl)cc1Cl)/C(O)=C(\C#N)c1nc(-c2cccc([N+](=O)[O-])c2)cs1 1873940967 PSBNDVBXMCIERJ-QNPMFDGYSA-N 462.314 6.285 50 10 JKGE C[C@H](Cl)c1nc2cc(I)ccc2n1C[C@H]1C[C@@H](Br)C1 1887923959 LIICHCVNOUSBHZ-LPEHRKFASA-N 453.549 5.114 50 10 JKGE CC[C@@H](Cl)CN(Cc1ccccc1)C(=O)c1ccc(Br)cc1Br 1915113105 HENVTQNIFGFORR-OAHLLOKOSA-N 459.609 5.871 50 10 JKGE CC(C)[C@@H](CBr)N(Cc1ccccc1)Cc1cc(Br)cc2c1OCC2 1915266764 DFQLBZMLDLLCCW-HXUWFJFHSA-N 467.245 5.806 50 10 JKGE COc1ccc([C@@H](Br)c2sc(Br)cc2Br)c(F)c1 1922947069 YJDXFZOKNSPFPF-LLVKDONJSA-N 458.972 5.905 50 10 JKGE C[C@@H]1C[C@@H]([C@H](Br)c2c(Br)sc(Br)c2Br)CO1 1924580390 RJQLMZVZSINGFO-XAHCXIQSSA-N 497.872 5.897 50 10 JKGE COc1ccsc1[C@H](Cl)c1c(Br)sc(Br)c1Br 1924584289 WASTZTLLVMCQLW-SSDOTTSWSA-N 481.456 6.434 50 10 JKGE CC[C@]1([C@H](Cl)c2c(Br)sc(Br)c2Br)CCCO1 1924616989 WAPJEHYUVGVDDL-LDYMZIIASA-N 467.448 6.275 50 10 JKGE Clc1sc(Br)c(Cl)c1[C@@H](Br)c1csc2c1CCCC2 1925618574 RLMLLJVBZLYXSA-JTQLQIEISA-N 461.071 7.242 50 10 JKGE CC(=O)[C@H](Br)[C@H](C)c1cc(Br)c(Br)c(Br)c1 1938597079 WIHNXUKXQDSEOX-GPXNAGAYSA-N 477.816 5.430 50 10 JKGE O=C(N[C@H](CCCCC[C@@H]1CCSS1)C(=O)O)OCC1c2ccccc2-c2ccccc21 1951900061 JRBOKFQATLEIML-UZUQRXQVSA-N 471.644 6.083 50 10 JKGE O=S(=O)(c1ccc(CBr)cc1Br)N(Cc1ccccc1)C1CCC1 2009658352 NCHOHRSRCSAQOI-UHFFFAOYSA-N 473.230 5.087 50 10 JKGE C[C@H](NCCSSCCNC(=O)OC(C)(C)C)c1cccc(NC(=O)OC(C)(C)C)c1 2010826300 ZTBGBZCCFVNFAZ-INIZCTEOSA-N 471.689 5.590 50 10 JKGE Cn1nc([C@@H](Cl)c2c(Cl)sc(Br)c2Cl)c(Br)c1Cl 2048145949 GGUOXWAOLAMTDL-BYPYZUCNSA-N 473.832 6.295 50 10 JKGE Cc1cc(CBr)cc(S(=O)(=O)N(Cc2ccccc2)C2CCC2)c1Br 2059287626 ZOFFLNPYKYYBLX-UHFFFAOYSA-N 487.257 5.396 50 10 JKGE Clc1c(Br)sc(Br)c1[C@@H](Br)[C@H]1C[C@@H]2CC[C@H](C1)O2 2061006465 VTFLXSMSPZADIL-LKHWLPBLSA-N 479.459 6.320 50 10 JKGE Fc1ccc(I)c(Cn2nc(C3CCCC3)cc2CBr)c1 2070081847 CUFFFMQHUAIRBW-UHFFFAOYSA-N 463.132 5.228 50 10 JKGE Fc1cc(Br)c([C@@H](Br)c2ccc(Br)o2)c(F)c1Cl 2081842728 FDZJVQUEOOUZMV-VIFPVBQESA-N 465.313 6.221 50 10 JKGE CC(C)(C)OC(=O)NC[C@](C)(CI)OCc1cccc2ccccc12 2084567701 CZJNLWKOFFYZPL-FQEVSTJZSA-N 455.336 5.075 50 10 JKGE BrCc1ccc(N2CCCN(Cc3ccccc3)CCOCC2)c(Br)c1 2088627231 AQRGBZXALUFGBU-UHFFFAOYSA-N 482.260 5.073 50 10 JKGE COc1cc(Br)c(C)cc1[C@H](Cl)c1cccc(I)c1 2089732130 DQXLQQOKBZPCCW-OAHLLOKOSA-N 451.529 5.699 50 10 JKGE BrCc1c(Br)cccc1N1CC[C@@H]2CCN(Cc3ccccc3)C[C@@H]2C1 2092524680 SGTIXZJUVPCCHF-RBUKOAKNSA-N 478.272 5.692 50 10 JKGE CC(C)Cc1ccc([C@H](Br)c2csc(Br)c2Br)cc1 2093941884 DZWWEEZVRVICGB-ZDUSSCGKSA-N 467.064 6.956 50 10 JKGE BrCc1ccc(N2[C@H]3CCC[C@H]2CN(Cc2ccccc2)CC3)cc1Br 2110316816 SNUHFGRMWSHDEJ-FPOVZHCZSA-N 478.272 5.977 50 10 JKGE Clc1ccc(I)c(C[C@@H]2CCCCCCC[C@H]2Br)c1 2112487554 HOTUXKYGPHNZJS-SWLSCSKDSA-N 455.605 6.611 50 10 JKGE Fc1ccc([C@H](Br)CCc2cccc(Br)c2Br)cc1 2113382253 SEHCLNXWJBYVCE-CYBMUJFWSA-N 450.971 6.420 50 10 JKGE FC(F)(F)C1([C@H](Br)c2sc(Br)cc2Br)CCOCC1 2116579349 ZFOZUISUYVLOET-SECBINFHSA-N 486.973 6.068 50 10 JKGE Cc1sc(CBr)cc1S(=O)(=O)N(Cc1ccccc1)[C@H](C)c1cccs1 2123242542 XWTFBZHUHOTLPB-CQSZACIVSA-N 470.479 5.965 50 10 JKGE O=S(=O)(c1c(CBr)sc2ccccc12)N(Cc1ccccc1)CC(F)F 2123245625 JVDOZKOPYMTASR-UHFFFAOYSA-N 460.365 5.252 50 10 JKGE Cl[C@@H](c1c(Br)sc(Br)c1Br)C1CC2(C1)CC21CCC1 2127505854 TTWZMYCIRVMTSX-MAOXSZOYSA-N 489.498 7.286 50 10 JKGE COc1cc(Br)c(C(=O)N(Cc2ccccc2)C(C)(C)CBr)cc1OC 2132546096 ZCFJUQVBBISAST-UHFFFAOYSA-N 485.216 5.282 50 10 JKGE BrC[C@@H]1CCN(Cc2ccc(Br)cc2Br)C12CCC2 2133812439 TTZUFBKFDUSESK-LBPRGKRZSA-N 452.028 5.351 50 10 JKGE Cc1cc(Br)c(C)c([C@H](Br)CC2CC(F)(F)C2)c1Br 2136381103 YDPZQMCMLIOSCG-LLVKDONJSA-N 460.982 6.700 50 10 JKGE Cc1cc(Br)c(CBr)c(N(C)C[C@]2(Br)CC2(F)F)c1 2137813404 FQGVLNSKCIWQIH-GFCCVEGCSA-N 461.970 5.261 50 10 JKGE Cc1c(Br)ccc([C@@H](Br)[C@H]2CCCC23CCC3)c1Br 2138875725 IPSDXXZJDHETQH-IUODEOHRSA-N 451.040 6.926 50 10 JKGE COc1c(C)cc(Br)cc1[C@@H](Br)c1cccc(OCc2ccccc2)c1 2141618658 ZUZNEKXCCAEMGU-NRFANRHFSA-N 476.208 6.829 50 10 JKGE Clc1cc([C@@H](Br)c2cc(Br)c3c(c2)CCO3)ccc1Br 2146627217 IYBHMNDMABGZIS-CQSZACIVSA-N 481.409 6.284 50 10 JKGE CC(C)(CBr)[C@@H]1CCCN1C(=O)c1cc(Br)cc(Br)c1 2155825746 SOKITJBBZNEPQE-ZDUSSCGKSA-N 468.027 5.237 50 10 JKGE ClCc1nc2cc(Cl)c(Br)cc2n1CC[C@@H]1CCN(Cc2ccccc2)C1 2169017121 IZSOVMCKAONEIB-INIZCTEOSA-N 467.238 6.103 50 10 JKGE Cc1cc(Oc2cc(Br)cc(F)c2CBr)cc(C)c1Br 2170690133 AUCOABMBCYFCRP-UHFFFAOYSA-N 466.970 6.655 50 10 JKGE O=C(c1csc(Br)c1Br)N1C[C@@]2(CBr)CCC[C@]2(F)C1 2176630555 PKSMQQAAULNSOW-STQMWFEESA-N 490.030 5.002 50 10 JKGE CN(CCCCCn1c(CCl)nc2cc(F)c(Br)cc21)Cc1ccccc1 2184094509 IGNOWFQQOAEYNG-UHFFFAOYSA-N 452.799 5.979 50 10 JKGE CCOc1ccc(Br)cc1[C@H](Br)c1c(Br)c(C)nn1C 2192375315 PQFZXEYSSGEISH-ZDUSSCGKSA-N 466.999 5.137 50 10 JKGE CCCCCc1ccc([C@H](Cl)c2ccc(I)c(Br)c2)s1 2197249463 RJMFKOPWWLCZPF-MRXNPFEDSA-N 483.640 7.176 50 10 JKGE Fc1cccc([C@H](CI)OCc2cc(Cl)ccc2Br)c1 2200753182 QLPHFLVZBXELNU-HNNXBMFYSA-N 469.519 5.935 50 10 JKGE Cc1cc(Br)c(C)c([C@@H](Cl)c2cc(Cl)cc(Cl)c2)c1Br 2201078068 MYCQMHAAQDTXPM-HNNXBMFYSA-N 457.420 7.463 50 10 JKGE COc1c(Cl)cc(Br)cc1[C@@H](Cl)c1ccc(Br)c(Cl)c1 2203003036 ZVQYWILLKDHRGG-ZDUSSCGKSA-N 459.392 6.855 50 10 JKGE CO[C@H]1C[C@H]([C@@H](Br)c2ccc(Br)c(C)c2Br)C[C@H]1OC 2203706741 TYNPTSVLWPRMCD-BXKLLYQPSA-N 471.027 5.396 50 10 JKGE Cc1sc(Br)c(C)c1[C@@H](Br)c1ccc(Br)cc1F 2218799448 FPEVDJGNYCAEOQ-LBPRGKRZSA-N 457.000 6.513 50 10 JKGE C[C@@H]1C[C@H]([C@H](Br)c2c(Br)cc(Cl)c(Cl)c2Cl)CCO1 2224308546 XMLGCYVPHKVNOD-AMXGMDGSSA-N 451.413 6.660 50 10 JKGE Cc1cc(Br)c([C@H](Br)c2ccc(Br)cc2)c(C)c1Cl 2224316244 BPHBAFUNZRHNQZ-CQSZACIVSA-N 467.426 6.966 50 10 JKGE Cc1c(Br)sc([C@H](Br)Cc2ccc(Br)cc2F)c1C 2225849391 UPGQHOQUWDHFJY-LLVKDONJSA-N 471.027 6.708 50 10 JKGE COc1cc(F)c([C@H](Br)c2sc(C)cc2Br)cc1Br 2229299829 CZAYXBQXCYAGGB-LBPRGKRZSA-N 472.999 6.214 50 10 JKGE C[C@H](Cl)c1nc2c(F)cc(Br)cc2n1[C@@H]1C[C@H](C)N(Cc2ccccc2)C1 2232921237 WLFVEGPTGDTZRB-GRDNDAEWSA-N 450.783 6.073 50 10 JKGE COc1c(C(C)C)cc(Br)cc1[C@@H](Br)c1cscc1Br 2233159359 KMDZKGMPCCCYHF-CQSZACIVSA-N 483.063 6.889 50 10 JKGE Cc1cc(Br)cc([C@@H](Cl)c2c(Br)cc(C)c(Br)c2C)c1 2235605493 SBKYCPQCGQZEDF-MRXNPFEDSA-N 481.453 7.228 50 10 JKGE Cc1cc(Br)c([C@H](Br)[C@@H]2CCCS(=O)(=O)C2)c(C)c1Br 2235614094 FBIHXOUODGVYAL-QMTHXVAHSA-N 489.067 5.089 50 10 JKGE Clc1c(Br)csc1[C@H](Br)Cc1ccncc1Br 2246467570 LLXLUVYIVVUGLF-SSDOTTSWSA-N 460.416 6.000 50 10 JKGE Cc1cc(Br)c(C)c([C@@H](Cl)c2cocc2Br)c1Br 2258147226 WXYBVPMPIFHGHE-ZDUSSCGKSA-N 457.387 6.512 50 10 JKGE COc1cc(Cl)c(Cl)cc1[C@H](Br)c1cccc(I)c1 2264369319 VXLCZAFZKDXAGQ-CQSZACIVSA-N 471.947 6.091 50 10 JKGE C[C@H](c1ccncc1Br)[C@H](Br)c1c(F)cccc1I 2267731400 HGBXUUSJRMFJAK-CLAHSXSESA-N 498.959 5.828 50 10 JKGE C[C@H]1Cc2cc(Br)cc([C@@H](Br)c3cocc3Br)c2O1 2270487593 GKRURNQYTHKUIH-WPPNPWJKSA-N 450.952 5.612 50 10 JKGE CC(C)c1ccc([C@](C)(CI)O[C@@H]2CCN(Cc3ccccc3)C2)cc1 2272039644 XWJSQIUFSDQBBZ-PKTZIBPZSA-N 463.403 5.751 50 10 JKGE Brc1cc(Br)cc(C[C@H](Br)C2C[C@@H]3CCC[C@H]3C2)c1 2277954563 YAOVUNUOAFQRNE-MKBNYLNASA-N 451.040 6.344 50 10 JKGE Cc1cc(Br)c([C@@H](Br)c2c(Cl)cccc2Br)c(C)c1F 2279141161 FVNBWRXKWNCLTM-CQSZACIVSA-N 485.416 7.105 50 10 JKGE COCc1cc(Br)c([C@@H](Cl)c2cc(F)c(Br)cc2Cl)s1 2282899162 OHZQXTNRLARZMX-LBPRGKRZSA-N 462.993 6.540 50 10 JKGE Cc1cccc(OCCCOc2ccc(C=C(C#N)C(=O)NCc3ccco3)cc2Cl)c1 2293467598 IKMCPZOLOZAAPB-UHFFFAOYSA-N 450.922 5.313 50 10 JKGE Cc1cc(C=C(C#N)C(=O)N2CCc3ccccc3C2)c(C)n1-c1ccc(Br)cc1 2294602866 YYYRQAXVMRGQMT-UHFFFAOYSA-N 460.375 5.349 50 10 JKGE COc1cc(C)c(Cl)cc1[C@H](Cl)c1cc(I)ccc1Br 2295299773 UWDBONNPHWSFQM-OAHLLOKOSA-N 485.974 6.352 50 10 JKGE Brc1cc(Br)cc(C[C@H](Br)C[C@H]2CCCCC23CC3)c1 2295335491 LBGVOIBYANLCPE-KGLIPLIRSA-N 465.067 6.878 50 10 JKGE COc1cccc([C@@H](Br)Cc2cc(Br)cc(Br)c2)c1F 2295340350 VPRFEJGGIKWIMC-ZDUSSCGKSA-N 466.970 6.038 50 10 JKGE COc1ccc(CNC(=O)C(C#N)=Cc2cc(Br)ccc2OCCC(C)C)cc1 2295672219 CFPDEOCXGRROTB-UHFFFAOYSA-N 457.368 5.106 50 10 JKGE CC(C)c1ccc(NC=C(C#N)c2nc(-c3cc4cc([N+](=O)[O-])ccc4oc3=O)cs2)cc1 2295891512 AXUWCMBMDVFBHZ-UHFFFAOYSA-N 458.499 5.925 50 10 JKGE Cc1ccc(N2C(=O)[C@@H](Cc3ccc(F)cc3)SC2=C(C#N)C(=O)Nc2ccc(Cl)cc2)cc1 2296834951 FWRNHZYVDYRWPT-HSZRJFAPSA-N 491.975 5.853 50 10 JKGE N#CC(=Cc1ccc(Oc2ccc([N+](=O)[O-])cc2C(F)(F)F)cc1)c1nc2ccccc2[nH]1 2297459190 ZXNMHWDUYXBDLT-UHFFFAOYSA-N 450.376 6.346 50 10 JKGE Cc1cc([N+](=O)[O-])ccc1NC(=O)C(C#N)=Cc1cc(C)n(-c2cc(Cl)cc(Cl)c2)c1C 2297491165 KCJLUFJSTRBTAA-UHFFFAOYSA-N 469.328 6.163 50 10 JKGE N#CC(=Cc1cn(Cc2ccccc2Cl)c2ccccc12)c1nnc(NC(=O)c2ccccc2)s1 2297551961 OXRWVPOSCDHXLU-UHFFFAOYSA-N 495.995 6.511 50 10 JKGE Cn1nc(C(F)(F)F)cc1-c1ccc(C=C(C#N)C(=O)c2cccc(C(F)(F)F)c2)s1 2297564380 HWXULOIATIKACA-UHFFFAOYSA-N 455.383 5.976 50 10 JKGE C[C@@H]1CCC[C@H]([C@@H](Br)c2ccc(OCc3ccccc3)cc2Br)O1 2299534221 BCWYQJWJMJXBCN-XMCHAPAWSA-N 454.202 6.422 50 10 JKGE Cn1cnc(Br)c1[C@@H](Cl)c1ccc(OCc2ccccc2)cc1Br 2300268250 VEZOHZURAIHPEG-INIZCTEOSA-N 470.592 5.852 50 10 JKGE Cc1ccc(C)c(NC(=O)C(C#N)=Cc2cccc(OCc3ccc(Br)cc3)c2)c1 2313560875 JTLDWXITJNQPBM-UHFFFAOYSA-N 461.359 6.191 50 10 JKGE C[C@H](c1ccccc1)[C@@H](Br)c1ccc(OCc2ccccc2)cc1Br 2314486480 DXEBKUSGIKSRDP-OPAMFIHVSA-N 460.209 7.268 50 10 JKGE CCOc1cc(C=C2C(=O)N(C3CCCC3)C(=O)C(C#N)=C2C)ccc1OCc1ccc(Cl)cc1 2314617028 PHWJQLIUHHZXIM-UHFFFAOYSA-N 490.987 5.853 50 10 JKGE CC(C)(C)c1ccc(C=CC(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@@H]3c2ccccc2Cl)cc1 2314634153 SMBVZQGDYZLANQ-HHHXNRCGSA-N 484.983 6.474 50 10 JKGE CCOC(=O)c1c(NC(=O)C(C#N)=Cc2ccc(OCC)c(OC)c2)sc2c1CC[C@@H](C)C2 2314728463 DKPVNIMTFSFMCH-OAHLLOKOSA-N 468.575 5.003 50 10 JKGE CC(=NNC(=O)c1ccc(-c2ccc(Cl)cc2Cl)nc1C)c1ccc(OC(C)C)cc1 2321275902 FVKXOQUPCOHYLM-UHFFFAOYSA-N 456.373 6.305 50 10 JKGE COc1ccccc1-c1csc(C(C#N)=C(O)c2ccc3c(c2)C(=O)N(CC(C)C)C3=O)n1 2331281810 UFALTCGHBPZGBA-UHFFFAOYSA-N 459.527 5.021 50 10 JKGE CCCOc1ccc(-c2csc(C(C#N)=C(O)c3ccc(N4CCCC4)c([N+](=O)[O-])c3)n2)cc1 2331318614 HEFCMTPTRWGJKL-UHFFFAOYSA-N 476.558 6.057 50 10 JKGE CC(C)C[C@H](C(O)=C(C#N)c1nc(-c2ccc(C(C)C)cc2)cs1)N1C(=O)c2ccccc2C1=O 2331340411 AWPHMPAQANDBQX-XMMPIXPASA-N 485.609 6.437 50 10 JKGE COc1c(C)cc(C)cc1-c1csc(C(C#N)=C(O)C=Cc2ccc(Cl)cc2Cl)n1 2331371742 GVKKVVIRUHKKTL-UHFFFAOYSA-N 457.382 7.248 50 10 JKGE CCCCCCOc1ccc(C(O)=C(C#N)c2nc(-c3ccc(OCC)cc3OCC)cs2)cc1 2331386511 HBHVIODYLMOBNI-UHFFFAOYSA-N 492.641 7.516 50 10 JKGE CCc1ccc(-c2csc(C(C#N)=Cc3ccc(OCc4ccc(Cl)cc4Cl)cc3)n2)cc1 2331417811 RKWOPTPVMQILCL-UHFFFAOYSA-N 491.443 8.322 50 10 JKGE COc1cc(C=C(C#N)c2nc(-c3ccc(C)cc3)cs2)ccc1OC(=O)c1ccccc1 2331445051 AOXPVALOGWFRDB-UHFFFAOYSA-N 452.535 6.411 50 10 JKGE COc1ccc(-c2csc(C(C#N)=Cc3c(OCc4ccccc4)ccc4ccccc34)n2)cc1F 2331455954 YPZBMXAZSZWRKP-UHFFFAOYSA-N 492.575 7.754 50 10 JKGE COCc1cccc([C@@H](Br)c2cc(Br)ccc2OCc2ccccc2)c1 2336041021 KKPCPMYDBLPFBK-JOCHJYFZSA-N 476.208 6.659 50 10 JKGE Cc1cc(Br)c(F)c(Br)c1[C@H](Br)[C@H]1C(C)(C)C1(F)F 2339653362 IPOVRVDFIYRRID-ONGXEEELSA-N 464.945 6.386 50 10 JKGE Cc1cc(Br)c(F)c(Br)c1[C@H](Br)[C@]12CCOC[C@@H]1C2 2339657051 UCJQXNBYHJNJKR-YZMDESFKSA-N 456.975 5.522 50 10 JKGE Fc1cc(Cl)c(Br)c(Cl)c1[C@H](Cl)Cc1ccc(Br)cc1 2360491688 CYTQBQVVHWRKQO-SECBINFHSA-N 461.383 7.180 50 10 JKGE Fc1c(Br)cc(Cl)c([C@H](Br)[C@@H]2CC[C@H]3[C@@H]2C3(F)F)c1Br 2362234438 HBSQKRBQVKJQOW-GNUMKPJESA-N 497.374 6.731 50 10 JKGE Cc1c(Br)sc([C@H](Br)[C@]23CO[C@](C(F)(F)F)(C2)C3)c1Br 2363840013 ZYTWGOVMARUESH-LSJOCFKGSA-N 498.984 6.129 50 10 JKGE CC(C)[C@@H](Br)C(C)(C)NC(=O)Cc1cc(Br)cc(Br)c1 2365963320 ZLMUTNRKGKXMBW-CQSZACIVSA-N 470.043 5.068 50 10 JKGE Cc1c(Br)ccc([C@H](Cl)c2cc(F)c(Cl)cc2Cl)c1Br 2379735525 FXAQHWJZQBZOKY-AWEZNQCLSA-N 461.383 7.294 50 10 JKGE CC(C)(C)OC(=O)Nc1cccc([S@@](C)(=O)=NC[C@](C)(CBr)C(C)(C)C)c1 2380169106 QUMWWKJODNYAQI-CCLHPLFOSA-N 461.466 5.938 50 10 JKGE O=C(NC1CCCCC1)[C@@H](c1ccc(Cl)cc1)N(Cc1ccc(Cl)cc1)C(=O)CCl 3035253 XCXWZTDYKNDBPN-JOCHJYFZSA-N 467.824 5.751 50 10 JKGE N#CC1=C(N)OC2=C(CCC/C2=C/c2cccc(Br)c2)[C@@H]1c1cccc(Br)c1 3663040 GFXFWHBCSPOBRV-IXMGXUHHSA-N 498.218 6.541 50 10 JKGE CC(C)(C)c1ccc([C@@H]2C[C@@H]2C(=O)N/N=C/c2cc(Br)c(Br)o2)cc1 9948688 QLEQWJISSOLVRA-XOEVSSMPSA-N 468.189 5.356 50 10 JKGE CC(C)c1ccc(OCC(=O)NN=Cc2ccc(OC(=O)c3ccc(Cl)cc3Cl)cc2)cc1 12437119 ZWVWKNXGGNLRMM-UHFFFAOYSA-N 485.367 5.865 50 10 JKGE CCOc1ccc(/C=C/C(=O)NNC(=O)c2ccc(NC(=O)c3ccc(C(C)(C)C)cc3)cc2)cc1 13620749 UGUSIQIPCLIHJP-UFWORHAWSA-N 485.584 5.110 50 10 JKGE C/C(=N/NC(=O)CSc1nc2sc3c(c2c(=O)n1-c1ccccc1)CCCC3)c1cccs1 16136617 PSIJJXMVNXUMES-YSMPRRRNSA-N 494.667 5.020 50 10 JKGE COc1cccc2cc(-c3nn(-c4ccccc4)cc3/C=C(\C#N)C(=O)NCc3ccco3)oc12 33515840 SLSCHIDOZDYUBB-CPNJWEJPSA-N 464.481 5.110 50 10 JKGE CCOc1ccc(/N=C(O)/C(C#N)=C2\S[C@H](Cc3ccccc3)C(=O)N2c2ccccc2)cc1 33784217 OZBRAQAPNFLXBG-NLTRVXJZSA-N 469.566 5.800 50 10 JKGE COc1cc(/C=C(/C#N)c2ccccc2[N+](=O)[O-])ccc1OCC(=O)Nc1ccccc1Cl 34829267 BXDXGIMARFHBEG-ATVHPVEESA-N 463.877 5.338 50 10 JKGE Cc1cccc(OCC(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@@H]3c2ccc(C(C)C)cc2)c1 38649497 GJHHSFDIJFJVPU-HHHXNRCGSA-N 454.526 5.321 50 10 JKGE CCOc1ccccc1[C@H]1C(C#N)=C(N)Oc2cc(OC(=O)COc3ccc(C(C)(C)C)cc3)ccc21 38650531 UADDKVCRKRNDQA-MUUNZHRXSA-N 498.579 5.585 50 10 JKGE CCCCCOc1ccccc1[C@@H]1C(C#N)=C(N)Oc2cc(OC(=O)c3ccc(Cl)cc3)ccc21 38686022 ITFDAYMWDDURNP-SANMLTNESA-N 488.971 6.346 50 10 JKGE CCOc1ccccc1[C@H]1C(C#N)=C(N)Oc2cc(OC(=O)c3oc4ccccc4c3C)ccc21 38687436 FMJNCDYDKAYNCN-RUZDIDTESA-N 466.493 5.577 50 10 JKGE CCc1ccc2oc(C(=O)Oc3ccc4c(c3)OC(N)=C(C#N)[C@H]4c3cccc(Cl)c3)c(C)c2c1 38687710 WDOHIBCHBRWNCG-VWLOTQADSA-N 484.939 6.394 50 10 JKGE COc1cc(/C=C(\C#N)c2ccc(Cl)cc2)ccc1OC(=O)COc1ccc(Cl)cc1 40847943 XVQPVUOXADFWLB-LDADJPATSA-N 454.309 6.051 50 10 JKGE COc1cc(/C=C(\C#N)c2ccc(Cl)cc2)ccc1OC(=O)COc1ccc([N+](=O)[O-])cc1 40850985 WMTXYFVOOVSOOI-LDADJPATSA-N 464.861 5.305 50 10 JKGE COc1cc(/C=N/NC(=O)[C@H](C)c2ccc(CC(C)C)cc2)ccc1OCc1ccc(C(=O)O)cc1 59166745 SPIILWKYFOQCCT-SAOCZUBPSA-N 488.584 5.425 50 10 JKGE O=C(N/N=C(/CSc1nc2ccccc2o1)c1ccc2ccccc2c1)c1cccc(Cl)c1 59460688 XHIQRLITLVAWJS-FAJYDZGRSA-N 471.969 6.561 50 10 JKGE O=C(N/N=C/c1c(Cl)cccc1Cl)c1ccc([C@@H]2Nc3ccccc3[C@H]3C=CC[C@@H]32)cc1 59471617 ZBOGLGXFOCHCQI-XFQLPYEKSA-N 462.380 6.584 50 10 JKGE COc1cccc(C(=O)N/N=C/c2ccccc2Oc2ccc(C(F)(F)F)cc2[N+](=O)[O-])c1 59500333 KCYRBRKUUFFRAA-LGJNPRDNSA-N 459.380 5.178 50 10 JKGE CCCCCCCCCCCCCC(=O)NNC(=O)COc1ccc(-c2ccccc2)cc1 100443086 MLTQLRVSRMKCJI-UHFFFAOYSA-N 452.639 6.581 50 10 JKGE CCCCCCCCCCOc1ccc(C(=O)N/N=C2/C(=O)Nc3ccc(C(C)C)cc32)cc1 103741450 OEGZGKKULSQABC-UHFFFAOYSA-N 463.622 6.416 50 10 JKGE Fc1ccc(C(F)(F)F)cc1[C@H](Br)c1cc(Br)sc1Br 125430087 QRZDAWMDHDYIMV-JTQLQIEISA-N 496.943 6.915 50 10 JKGE Fc1ccc(C(F)(F)F)cc1[C@H](Cl)c1cc(Br)c(Br)s1 128282095 SDSRYVOJWQIOGP-JTQLQIEISA-N 452.492 6.759 50 10 JKGE C[C@H](Br)c1ccccc1NS(=O)(=O)c1cc(Br)ccc1Br 136612901 PWAQHEFEUZMMRQ-VIFPVBQESA-N 498.034 5.468 50 10 JKGE CC(C)(C)c1ccc(C(Br)Br)c(C(Br)Br)c1 137307420 PQGTUQJBPBOCHR-UHFFFAOYSA-N 477.860 6.561 50 10 JKGE C[C@H](Cl)c1nc2cc(F)c(Br)cc2n1-c1cccc(I)c1 158511806 WGFPFJGDVVBUNV-QMMMGPOBSA-N 479.518 5.832 50 10 JKGE CCOc1ccc(/C=C(/C#N)C(=O)Nc2scc(-c3ccc(CC)cc3)c2C(=O)OC)cc1OC 206882334 BBRALTVYJRNIQK-MOSHPQCFSA-N 490.581 5.717 50 10 JKGE CC(=O)O[C@@H]1CC[C@]2(C)[C@H]3CC[C@]4(C)C(=O)CC[C@H]4[C@@H]3C[C@H](Br)[C@]2(Br)C1 211331930 GJUBXVMRZCCIPH-FDVPQUQYSA-N 490.276 5.421 50 10 JKGE in-vitro CCc1ccc([C@H](C)NC(=O)/C(C#N)=C\Nc2ccc(-c3nc4ccc(C)cc4s3)cc2)cc1 217197971 LFXQYOYJSMNYOK-IBZADVPGSA-N 466.610 6.531 50 10 JKGE Cc1cc([C@@H](Br)c2cc(Br)cc3c2OCC3)sc1Br 228443258 RVBVKKSRARYKFU-LBPRGKRZSA-N 467.020 6.001 50 10 JKGE Brc1cc(Br)cc([C@@H](Br)c2ccc3c(c2)CCCC3)c1 232484132 VHFGNOUTUKVOGD-KRWDZBQOSA-N 459.019 6.575 50 10 JKGE O=C(NN=Cc1ccccc1OC(=O)c1sc2ccccc2c1Cl)c1ccc(Cl)cc1 252589345 AJFAENDIXIWGGV-UHFFFAOYSA-N 469.349 6.191 50 10 JKGE COc1ccc(C=NNC(=O)c2sccc2C)cc1CSc1nc(C)cc(C(F)F)n1 252594846 BVMSDILIUXKXNG-UHFFFAOYSA-N 462.547 5.157 50 10 JKGE O=C(COc1ccc(-c2ccccc2)cc1)NN=Cc1ccc(OC(=O)c2cccs2)cc1 254372134 CUHWZZMVTNFXGE-UHFFFAOYSA-N 456.523 5.163 50 10 JKGE Cc1ccc(C(=O)Oc2ccc(C=NNC(=O)COc3ccc(-c4ccccc4)cc3)cc2)cc1 254744323 QVQXBHNFSUFREU-UHFFFAOYSA-N 464.521 5.410 50 10 JKGE CCN(Cc1ccccc1)c1ccc(C=NNC(=O)c2cc(-c3ccccn3)nc3ccccc23)cc1 254904480 DRCVWGWSFDFDQG-UHFFFAOYSA-N 485.591 6.087 50 10 JKGE CCOc1ccc([C@H](Br)c2c(C)cccc2Br)cc1Br 313510126 KANKNYSEVFKILE-INIZCTEOSA-N 463.007 6.403 50 10 JKGE Cc1ccc(Br)cc1COc1c(C)cc(Br)cc1CBr 313681185 NKKDNUYIRYXSGW-UHFFFAOYSA-N 463.007 6.302 50 10 JKGE O=C1Cc2cc([C@@H](Br)c3ccccc3OCc3ccccc3)c(Br)cc2N1 380765178 YORXYEDTEXFCDT-QFIPXVFZSA-N 487.191 6.007 50 10 JKGE O=C(OCc1ccccc1)N1C[C@@H](c2ccc(Cl)s2)[C@@H](CI)C1 394734126 RQTSKAZXZJYHKY-UONOGXRCSA-N 461.752 5.189 50 10 JKGE Fc1cc(F)c(F)c([C@@H](Cl)c2cc(I)ccc2Br)c1F 396025919 LXJKFZVHVLWZKA-NSHDSACASA-N 479.436 5.938 50 10 JKGE Cc1oc(Br)cc1[C@H](Br)c1cc(I)cc2c1OCC2 396614521 VFDSISNOARNZGF-ZDUSSCGKSA-N 497.952 5.374 50 10 JKGE C[C@@H]1C[C@H](n2c(CCl)nc3cc(I)c(F)cc32)CN1Cc1ccccc1 398001769 NXUZKKXEFMJKOV-HIFRSBDPSA-N 483.756 5.354 50 10 JKGE CC(C)(C)OC(=O)N1CCc2ccccc2[C@@H]1c1ccccc1CO[Si](C)(C)C(C)(C)C 616677193 WEDDMUOIMGWFTM-XMMPIXPASA-N 453.699 7.091 50 10 JKGE BrCC(CBr)(C[C@H]1CCCOC1)c1ccc(Br)cc1 690353466 IMTQLYHBDGTOKV-GFCCVEGCSA-N 455.028 5.293 50 10 JKGE COCCOc1ccc([C@H](Br)c2occc2Br)cc1Br 696533297 COHWAOPMUYZPFF-ZDUSSCGKSA-N 468.967 5.314 50 10 JKGE O=C(OCc1ccccc1)N1C[C@H](c2cc(C(F)(F)F)ccc2F)[C@@H](CBr)C1 725432832 VAINANLUUWETNY-YOEHRIQHSA-N 460.265 5.592 50 10 JKGE CCOc1ccc(N2Cc3ccc(C(=O)NN=Cc4c5ccccc5cc5ccccc45)cc3C2)cc1 1084012725 QSLLAYNQRBFREP-UHFFFAOYSA-N 485.587 6.676 50 10 JKGE 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 1565534851 KUJXAJMABXMSCW-POIHIMAISA-N 460.775 7.170 50 10 JKGE COc1ccc(C(=O)Nc2cccc3c(OC(=O)Nc4ccc(SC#N)cc4)cccc23)cc1 1858771299 SHGDVBKHHGWFRS-UHFFFAOYSA-N 469.522 6.285 50 10 JKGE COc1ccc(-c2nn(-c3cccc(Cl)c3)c3c2[C@H](c2sccc2C)C(C#N)=C(N)O3)cc1 1865699185 NGZFPTAJXLGHDZ-HXUWFJFHSA-N 474.973 5.789 50 10 JKGE CC(C)(C)c1ccc(OCCC/C(O)=C(\C#N)c2nc(-c3ccc(Cl)c(Cl)c3)cs2)cc1 1872749278 JPWUOYQCTYPSIY-NMWGTECJSA-N 487.452 8.066 50 10 JKGE N#C/C(=C(/O)COc1ccc(Cl)cc1Cl)c1nc(-c2cccc3ccccc23)cs1 1872751674 AIYGNOIVUAEVBX-UZYVYHOESA-N 453.350 7.142 50 10 JKGE CCCOc1ccc(-c2csc(/C(C#N)=C(O)/C=C/c3ccc(OC)cc3)n2)cc1OCCC 1872817930 DOGBYKYXSOPCBN-QOJMKNSZSA-N 476.598 6.902 50 10 JKGE CCOc1cc(Br)c([C@H](Br)[C@H]2C[C@H]2Br)cc1OCC 1887725638 SYSITFXDWXJCER-LLHLLMPMSA-N 457.000 5.466 50 10 JKGE F[C@@H]([C@H](Br)c1ccc(OCc2ccccc2)cc1Br)C(F)(F)F 1899853365 SZNWNRXFSODQGL-CABCVRRESA-N 456.071 6.365 50 10 JKGE ClCC1(N(Cc2ccccc2)Cc2cc(Cl)ccc2I)CCC1 1915787643 HLCWFNQJALYBSC-UHFFFAOYSA-N 460.186 6.108 50 10 JKGE Clc1c(Br)sc(Br)c1[C@H](Cl)Cc1ccc(Br)cc1 1923039448 OUHPHRYHHNVWOX-MRVPVSSYSA-N 493.873 7.212 50 10 JKGE Clc1c(Br)sc(Br)c1[C@@H](Cl)c1ccc2sccc2c1 1923039754 QQCMHMMVWMMHDK-JTQLQIEISA-N 457.039 7.469 50 10 JKGE CC1(C)CC[C@H]([C@H](Br)c2c(Br)sc(Br)c2Cl)C1 1923072780 RMJHRUNHDRUZGX-XPUUQOCRSA-N 465.476 7.189 50 10 JKGE CCc1ccc([C@H](Br)c2c(Br)sc(Br)c2Cl)o1 1923073143 VCTCJWOJRGUEBZ-QMMMGPOBSA-N 463.416 6.566 50 10 JKGE CC1(C)CC([C@@H](Br)c2c(Br)sc(Br)c2Br)C1 1924612237 KRBQTAUVYOFIJV-SSDOTTSWSA-N 495.900 6.908 50 10 JKGE C[C@@H]1CCCC[C@@H]1[C@H](Cl)c1c(Br)sc(Br)c1Br 1924612539 CCERGHZHOZUFDJ-FWWHASMVSA-N 465.476 7.142 50 10 JKGE Cc1cc(Br)sc1[C@H](Br)c1sccc1I 1934771062 IXDGZTDHRPWFNS-QMMMGPOBSA-N 478.012 5.969 50 10 JKGE C[C@H](C1CC1)N(Cc1ccccc1)c1c(CBr)ccc(Br)c1Cl 1939323847 QSURVIKYUQBJIC-CYBMUJFWSA-N 457.637 6.803 50 10 JKGE FC(F)(F)C1([C@@H](Br)c2cc(Br)c(Br)s2)CCC1 1940746657 ZVSYAWSVSBLBQZ-ZETCQYMHSA-N 456.947 6.442 50 10 JKGE BrCc1ccc(Br)cc1N(Cc1ccccc1)CC1CCCCC1 1946743813 ZTBIUPDHJPJYBN-UHFFFAOYSA-N 451.246 6.931 50 10 JKGE Clc1cc(Br)c([C@H](Cl)c2cc(Br)cc(Br)c2)s1 1948823784 RCIPVEOQUJPOKL-SNVBAGLBSA-N 479.846 7.017 50 10 JKGE Cc1cc([C@H](Br)c2cscc2OCc2ccccc2)c(C)cc1Br 1950321947 WBKNCZBHSLNDKP-FQEVSTJZSA-N 466.238 7.191 50 10 JKGE Cc1cc([C@H](Br)c2sc(Br)cc2Br)sc1Cl 1978955869 MSSLLIPMSICKGC-QMMMGPOBSA-N 465.457 6.781 50 10 JKGE COC1([C@H](Br)c2c(Br)sc(Br)c2Br)CCC1 1979935346 RPJFDNMWCJACDJ-SSDOTTSWSA-N 497.872 6.041 50 10 JKGE CCc1nc([C@H](Cl)c2cc(Br)c(Br)s2)c(Br)s1 2003568432 KETDCPHNYZEWNO-SSDOTTSWSA-N 480.472 6.383 50 10 JKGE CCc1cc(Br)c([C@@H](Br)c2nc(C)sc2Br)s1 2003571497 XWTVGVGNBBIVNA-QMMMGPOBSA-N 460.054 6.085 50 10 JKGE Cc1nn(C)c(Br)c1[C@@H](Cl)c1cc(Br)c(Br)s1 2013202719 NVCFIKALVKNQJL-QMMMGPOBSA-N 463.420 5.406 50 10 JKGE Cc1cc(C)c([C@@H](Br)c2csc(Br)c2Br)c(C)c1 2032959019 RIPCPQPUBHNTFG-LBPRGKRZSA-N 453.037 6.683 50 10 JKGE Cc1cc(C(=O)C(C#N)=Cc2cn(-c3ccccc3)nc2-c2cccnc2)c(C)n1-c1ccccc1F 2040448515 XZXSPCJCJJEAKM-UHFFFAOYSA-N 487.538 6.271 50 10 JKGE Clc1cccc(Br)c1C[C@@H](Br)c1ccccc1Br 2050532525 HQPGRFPZTIICAU-CYBMUJFWSA-N 453.399 6.544 50 10 JKGE CC1(C)CC[C@H](NCCSSCCNC(=O)OC(C)(C)C)[C@@H](CNC(=O)OC(C)(C)C)C1 2061269953 INZIYBPWRHBQKH-MSOLQXFVSA-N 491.764 5.202 50 10 JKGE CC(C)(C)c1ncccc1-n1nc(CBr)c(I)c1C(F)(F)F 2078931798 YNHKOQRDMYKBAZ-UHFFFAOYSA-N 488.089 5.083 50 10 JKGE Cc1c(Br)ccc([C@@H](Cl)c2cn(C)c(Br)n2)c1Br 2083335213 WIHIZZWJTNIYCE-LLVKDONJSA-N 457.391 5.344 50 10 JKGE BrC[C@H](Cc1cc(Br)sn1)Cc1ccccc1Br 2084085850 IKLGCWIIPGJOBV-VIFPVBQESA-N 454.025 5.464 50 10 JKGE COc1ccc([C@@H](Cl)c2cccc(Br)c2Br)c(Br)c1 2092329223 TYZBCGCKXSCQRK-CQSZACIVSA-N 469.398 6.311 50 10 JKGE Clc1ccc(C[C@H](Br)c2cccc(Br)c2Br)cc1Cl 2092336316 WOIBYXOVLWGOKY-NSHDSACASA-N 487.844 7.197 50 10 JKGE Clc1ccc(I)c(CN2C[C@H](Br)CC3(CCC3)C2)c1 2094997564 QILIPIRYPJUWPY-GFCCVEGCSA-N 454.577 5.084 50 10 JKGE Clc1ccc(Br)c(CC[C@H](Br)c2ccccc2Br)c1 2113445360 VGQUCZNVQRSAOY-HNNXBMFYSA-N 467.426 6.934 50 10 JKGE Clc1sc([C@@H](Br)c2cc(Br)cc3c2OCC3)cc1Br 2115942445 LQUHWWMPITXUAP-NSHDSACASA-N 487.438 6.346 50 10 JKGE FC(F)c1cccc([C@H](Br)c2cc(Br)ccc2Br)c1 2115966681 IXWSPWYTXGKZCA-ZDUSSCGKSA-N 454.934 6.634 50 10 JKGE CO[C@H]1C[C@H]([C@@H](Cl)c2c(Br)sc(Br)c2Br)C[C@H]1OC 2118265877 CSBKHDOZLWIBPG-QGOVLLJGSA-N 497.474 5.756 50 10 JKGE Cc1cc(Br)c([C@H](Br)c2c(Br)sc(C)c2C)cc1Cl 2138268777 QRHCEDZQFNTBAS-ZDUSSCGKSA-N 487.482 7.336 50 10 JKGE COc1cccc(Oc2ccc(Br)cc2Br)c1CBr 2138434676 BCPSJPCTHALRMO-UHFFFAOYSA-N 450.952 5.907 50 10 JKGE Cc1cc(Br)ccc1[C@@H](Cl)c1ccc(Br)c(C)c1Br 2138866938 VVRNFEPNLAIASQ-OAHLLOKOSA-N 467.426 6.919 50 10 JKGE Fc1cc2nc(CCl)n([C@H]3CCOC[C@H]3OCc3ccccc3)c2cc1Br 2146520765 JNRYKYQDHLJXCJ-PKOBYXMFSA-N 453.739 5.224 50 10 JKGE Clc1c(Br)cccc1CC(CBr)(CBr)c1ccccc1 2166822655 KXGFHUFWTXZINO-UHFFFAOYSA-N 481.453 6.373 50 10 JKGE ClCc1nc2cc(Cl)c(Br)cc2n1-c1cccc(OCc2ccccc2)c1 2169014810 CVPSCTHWWCTTMA-UHFFFAOYSA-N 462.174 6.759 50 10 JKGE N#Cc1ccc(Br)cc1Oc1cc(Br)cc(F)c1CBr 2170693876 PUNTVOJOBYQASN-UHFFFAOYSA-N 463.926 5.910 50 10 JKGE Cc1cc2c3c(c1)-c1c(ss/c1=N\c1ccc(C)c(C)c1)C(C)(C)N3C(=O)C2=C(C#N)C#N 2185889262 NBQDOYJQNOESPR-OLFWJLLRSA-N 468.607 6.030 50 10 JKGE Fc1cc(Br)c(Br)cc1[C@@H](Br)c1scc(Cl)c1Cl 2218596972 INNCCDRUQHOCAK-SECBINFHSA-N 497.836 7.203 50 10 JKGE CCn1ncc(Br)c1[C@@H](Br)c1sc(Br)c(C)c1C 2218784258 XDAKVJVBADHMCC-SECBINFHSA-N 457.029 5.591 50 10 JKGE Cc1ccc(I)c([C@H](Br)Cc2ccc(Br)cc2)c1 2224032596 UPIRLNLXCYXJSG-CQSZACIVSA-N 479.981 6.041 50 10 JKGE Cl[C@@H](c1c(Br)sc(Br)c1Br)C1C[C@H]2CCC[C@H](C1)C2 2225306585 UGWOHLQJGFLGRG-YVZVNANGSA-N 491.514 7.532 50 10 JKGE Fc1cc(Br)c(Br)cc1[C@@H](Cl)Cc1ccc(Br)cc1 2225632697 DUUDQFMIROGZHS-ZDUSSCGKSA-N 471.389 6.636 50 10 JKGE CCCCCCc1ccc([C@H](Br)c2csc(I)c2)s1 2225749528 CZSSCZZBCDOZOV-OAHLLOKOSA-N 469.251 7.021 50 10 JKGE Cc1cc(Br)c([C@H](Br)CC2CCOCC2)c(C)c1Br 2227351536 MZYUIZZMGNBZBO-CYBMUJFWSA-N 455.028 6.081 50 10 JKGE Cc1cc(Br)c([C@@H](Br)COCC(F)(F)F)c(C)c1Br 2227353900 VALIKOQLLGRAIL-VIFPVBQESA-N 468.933 5.843 50 10 JKGE Clc1cc(Br)c([C@@H](Br)C2(CC3CCC3)CC2)c(Cl)c1Cl 2232517805 WMPSXFKJOUVSCW-CQSZACIVSA-N 461.452 7.816 50 10 JKGE CCOCc1cc(Br)c([C@H](Br)c2ccc(Cl)c(Cl)c2)s1 2233016926 LWQXHUOBGATHIN-CYBMUJFWSA-N 459.030 6.838 50 10 JKGE Cc1cc(Br)c([C@@H](Br)C2(C(F)(F)F)CCC2)c(C)c1Br 2235613835 BJZYAWOUEOZUBB-GFCCVEGCSA-N 478.972 6.997 50 10 JKGE C[C@@H](CCCCCI)NC(=O)Cc1ccc(Br)cc1Cl 2237440805 NSXIDVNNSHHXEL-NSHDSACASA-N 472.592 5.145 50 10 JKGE Clc1ccc(I)c([C@H](Br)c2ccc([C@H]3CCOC3)s2)c1 2240431717 LPEXKNLSLAFSSY-VFZGTOFNSA-N 483.596 5.994 50 10 JKGE COc1ccc([C@H](Cl)c2cc(C)c(Br)s2)cc1I 2257367322 APITVBKYXXAZJI-LBPRGKRZSA-N 457.558 5.760 50 10 JKGE Cn1cc(Cl)c([C@@H](Br)Cc2cc(Br)cc(Br)c2)n1 2263519243 OZUSLYNGCLWGLD-JTQLQIEISA-N 457.391 5.277 50 10 JKGE Fc1cc(Br)c(F)c(Br)c1[C@@H](Br)[C@H]1CC12CCCC2 2272733997 KWYUWLNTCQUVSA-HQJQHLMTSA-N 458.966 6.506 50 10 JKGE COc1c(C)cc(C)cc1[C@@H](Br)c1scc(Br)c1Br 2277974985 OMUNFCPWUPPKDY-LLVKDONJSA-N 469.036 6.383 50 10 JKGE COc1c(Br)cc([C@H](Br)[C@H]2C[C@@H](Br)C2)c(OC)c1C 2278019601 QEJRQCJMMFUEAZ-VDDIYKPWSA-N 457.000 5.384 50 10 JKGE Cc1cc(Br)c([C@@H](Br)[C@H]2CC(F)(F)C23CCC3)cc1Br 2280865216 PBJWFHJOEMWLDS-ZWNOBZJWSA-N 472.993 6.782 50 10 JKGE COc1c([C@@H](Br)c2ccc(Br)cc2)cc(Br)c(C)c1C 2284592002 SVIPFPNJGBJWMM-HNNXBMFYSA-N 463.007 6.321 50 10 JKGE Fc1cc(Cl)c([C@@H](Br)Cc2c(Cl)cccc2Cl)cc1Br 2285956940 CGNCAGOFSJFEFV-VIFPVBQESA-N 461.383 7.227 50 10 JKGE Cc1ccc([C@@H](CI)OCc2cc(Br)ccc2Cl)cc1 2295173955 SASHJKJLBKOXPO-MRXNPFEDSA-N 465.556 6.104 50 10 JKGE Brc1cc(Br)cc(C[C@H](Br)C2C[C@H]3COC[C@H](C2)C3)c1 2295334187 SPUDIUXZZRDKBP-MKBNYLNASA-N 467.039 5.580 50 10 JKGE FC(F)(F)[C@@H]1CC[C@@H]([C@H](Br)Cc2cc(Br)cc(Br)c2)C1 2295336217 STZNUJHDEHNFFL-GIPNMCIBSA-N 478.972 6.496 50 10 JKGE Brc1cc(Br)cc(C[C@H](Br)CCCc2ccccc2)c1 2295338665 ZTLMTXLNGWCDEG-OAHLLOKOSA-N 461.035 6.541 50 10 JKGE CC(C)(C)[C@@H]1CC(=Cc2ccc(Cl)cc2)C2=C(C1)[C@@H](c1ccc(Cl)cc1)C(C#N)=C(N)O2 2297504900 PKPNCDBPQDISDP-NTKDMRAZSA-N 465.424 7.595 50 10 JKGE Cc1cccc(COc2ccccc2C=NNC(=O)CCC(=O)Nc2ccc(Br)cc2)c1 2297604877 WVTJIEBJSKQGIE-UHFFFAOYSA-N 494.389 5.206 50 10 JKGE Brc1cc(OCc2ccccc2)ccc1[C@H](Br)[C@@H]1C[C@@H]2CC[C@H]1C2 2299494498 NRXNFNYNFMIBER-ZEVBXJOLSA-N 450.214 6.900 50 10 JKGE Brc1ccc(OCc2ccccc2)c([C@H](Br)C[C@@]23CCC[C@H]2C3)c1 2299526471 YBBZUVZONTZUKG-SCWSEQNSSA-N 450.214 7.044 50 10 JKGE CCn1ncc(Br)c1[C@@H](Cl)c1sc(Cl)cc1I 2300949724 PRZIUDHVCUFCJX-MRVPVSSYSA-N 465.969 5.313 50 10 JKGE Brc1cc(OCc2ccccc2)ccc1[C@@H](Br)c1cc2cscc2s1 2314440607 QUAUMZXDBWJCFC-HXUWFJFHSA-N 494.273 7.789 50 10 JKGE Brc1ccc(OCc2ccccc2)c([C@H](Br)[C@@H]2OC[C@@H]3CCC[C@@H]32)c1 2314443003 DSKRBROVGQZFNT-STRKUORWSA-N 466.213 6.279 50 10 JKGE Fc1cccc(Cl)c1[C@H](Br)c1cc(Br)ccc1OCc1ccccc1 2314448529 IREDBBRBUONOMD-HXUWFJFHSA-N 484.590 7.305 50 10 JKGE N#CC(=Cc1cn(-c2ccccc2)nc1-c1ccc(Cl)cc1)C(=O)Nc1cccc([N+](=O)[O-])c1 2314486642 DVDNGNGXMUCOTF-UHFFFAOYSA-N 469.888 5.647 50 10 JKGE Cc1cc(C)cc(Oc2nc3c(C)cccn3c(=O)c2C=C(C#N)C(=O)Nc2cc(C)ccc2C)c1 2314531828 FGGISHJBGXOPSH-UHFFFAOYSA-N 478.552 5.575 50 10 JKGE CCN[C@H](c1c(Cl)cc(Br)c(F)c1Br)[C@@H]1C[C@@H]1Br 2315458558 NZTSWTVJACPWRP-JPOPXJHUSA-N 464.398 5.438 50 10 JKGE C[C@@H]1[C@H]([C@@H](Br)c2c(Cl)cc(Br)c(F)c2Br)C1(F)F 2315462318 YJXQFMQVNMUJKX-AWIRSFSWSA-N 471.336 6.341 50 10 JKGE Fc1ccc([C@H](Cl)c2ccc(Cl)cc2I)cc1Br 2317774295 IFFZWQWDSCLSJQ-ZDUSSCGKSA-N 459.911 6.174 50 10 JKGE CCCc1ccc([C@H](Br)c2ccc(Cl)cc2I)s1 2317776746 ZMPFBDJONXVACU-CQSZACIVSA-N 455.586 6.443 50 10 JKGE C[C@@H](NC(=O)C(C#N)=CNc1ccccc1Sc1ccccc1)C12CC3CC(CC(C3)C1)C2 2324900422 CWPGREMQOCDBIG-AOXVDABRSA-N 457.643 6.378 50 10 JKGE C[C@@]1(C(F)F)C[C@@]1(CBr)Cc1ccc(I)c(Br)c1 2325222444 KZQJQUQYLXBERA-QWHCGFSZSA-N 493.955 5.653 50 10 JKGE COc1cc(NC(=O)c2ccccc2)c(OC)cc1NC(=O)C(C#N)=Cc1cccc(Cl)c1 2329687102 GWIZTMXJEKOIFS-UHFFFAOYSA-N 461.905 5.155 50 10 JKGE CCOc1ccccc1OCC(O)=C(C#N)c1nc(-c2ccc(Br)cc2)cs1 2331260397 CIIYUMDBKCXLRE-UHFFFAOYSA-N 457.349 5.843 50 10 JKGE CCOc1ccc(C=C(C(O)=C(C#N)c2nc(-c3ccc(OC)cc3)cs2)c2ccccc2)cc1 2331273644 WOGDXJUTNHXJNF-UHFFFAOYSA-N 480.589 7.251 50 10 JKGE CSCC[C@@H](C(O)=C(C#N)c1nc(-c2cccc(Cl)c2)cs1)N1C(=O)c2ccccc2C1=O 2331294474 VVHFUEHZNGTWOI-FQEVSTJZSA-N 496.013 5.674 50 10 JKGE Cc1ccc(-c2csc(C(C#N)=C(O)[C@H](C)Oc3ccc(Cl)cc3Br)n2)c(C)c1 2331310940 XRGRJQJMZIYMFX-AWEZNQCLSA-N 489.822 7.103 50 10 JKGE COc1c(C)cc(C)cc1-c1csc(C(C#N)=C(O)c2ccc3c(c2)C(=O)N(C(C)(C)C)C3=O)n1 2331372020 YXHKRAWIOSWVKP-UHFFFAOYSA-N 487.581 5.780 50 10 JKGE CCOc1ccc(-c2csc(C(C#N)=C(O)C=Cc3cccc([N+](=O)[O-])c3)n2)c(OCC)c1 2331386554 MCGGJMLLEUBSGE-UHFFFAOYSA-N 463.515 6.022 50 10 JKGE CCCCOc1ccc(C=C(C#N)c2nc(-c3ccc(OC)c(OC)c3)cs2)cc1OC 2331417331 GERQFFXYNYLUAA-UHFFFAOYSA-N 450.560 6.079 50 10 JKGE Brc1ccc(OCc2ccccc2)c([C@H](Br)[C@]23CCCC[C@H]2CCC3)c1 2336052128 YDFDTOZDKRJGGU-TZYHBYERSA-N 478.268 7.825 50 10 JKGE Brc1ccc(Br)c([C@H](Br)[C@@H]2C[C@H]3CCC[C@H]2CC3)c1 2338742462 WIDORPUHPKAMMK-GKSGUAPZSA-N 451.040 6.864 50 10 JKGE COc1c(Br)cc(C)c([C@@H](Br)[C@@H]2C[C@@H]3C[C@@H]3C2)c1Br 2339689514 DMFQVCYRMBCJPY-WTBMIXGQSA-N 453.012 6.011 50 10 JKGE Cc1c(Br)sc([C@H](Br)[C@H]2C[C@@H]3CCCCCC[C@@H]32)c1Br 2354883350 SVFLUXJLGWLYKJ-ZJQBRPOHSA-N 485.123 7.624 50 10 JKGE CN(c1cc(CBr)sc1[N+](=O)[O-])[C@H]1C[C@@H]2C[C@@H](OCc3ccccc3)C[C@H]12 2357090184 UMJUVSRYAITQOC-MVJTYMMSSA-N 451.386 5.371 50 10 JKGE CC1(C)[C@H]2CO[C@]1(COc1c(Br)cc(Br)cc1CBr)C2 2359776903 JVLPJOZNBXNNCR-BMIGLBTASA-N 469.011 5.300 50 10 JKGE COC1([C@@H](Br)c2c(F)cc(Cl)c(Br)c2Cl)CC(CF)C1 2360482912 CYMNMSJNCYMALJ-BZCBFNEHSA-N 452.948 6.096 50 10 JKGE Cc1ccccc1C[C@@H](CBr)Cc1ccc(Cl)c(I)c1 2362380279 QXPKGTTWWRPWSN-AWEZNQCLSA-N 463.584 6.049 50 10 JKGE COc1c(Br)cc(C)c([C@@H](Br)COCC(F)(F)F)c1Br 2365189428 VBHPGKFMLCGTDB-QMMMGPOBSA-N 484.932 5.544 50 10 JKGE Clc1ccc([C@@H](Br)c2cc(Cl)cc3c2OCC3)c(I)c1 2365598809 SCIZMRHUQNNRJK-CQSZACIVSA-N 483.958 6.017 50 10 JKGE O=C(c1scc(Br)c1Br)N1C[C@@H]2C[C@H](CBr)C[C@@H](C2)C1 2369320206 OCQJROGCTSHDKM-ILWJIGKKSA-N 486.067 5.156 50 10 JKGE FC(F)(F)[C@@H]1[C@H](Br)CCCN1Cc1ccc(Cl)c(I)c1 2370299211 HXAFURMCWKMFPN-SKDRFNHKSA-N 482.509 5.235 50 10 JKGE CC(C)(C)c1ccc(-c2cc(C(=O)NN=Cc3ccc4c(c3)OCO4)c3ccccc3n2)cc1 8566598 KMTHYGIYTUZKFR-UHFFFAOYSA-N 451.526 5.692 50 10 JKGE COc1cc(/C=C(/C#N)C(=O)Nc2ccc(C)cc2)c(Br)cc1OCc1ccccc1 16292965 YDVSICGPOYZXRU-NDENLUEZSA-N 477.358 5.891 50 10 JKGE Cc1ccc(Cc2cnc(NC(=O)/C(C#N)=C\c3ccc(-c4cccc([N+](=O)[O-])c4)o3)s2)cc1 33148369 VOJASFWFKFRZBL-UYRXBGFRSA-N 470.510 5.756 50 10 JKGE C/C(=N/NC(=O)COc1ccc(C(C)C)cc1Br)c1ccc(Br)cc1 33422638 NKLHJUBHPJHUEG-XKZIYDEJSA-N 468.189 5.254 50 10 JKGE COc1ccc(C[C@@H]2S/C(=C(\C#N)C(=O)Nc3ccc(C)cc3)N(c3ccccc3C)C2=O)cc1 33516787 CFQJYWXORZVTIG-SJUMRLIPSA-N 483.593 5.377 50 10 JKGE CCCCOc1ccccc1C(=O)Oc1ccc2c(c1)OC(N)=C(C#N)[C@H]2c1ccc(C(C)C)cc1 38649665 LYTZXXKYEQUGHV-NDEPHWFRSA-N 482.580 6.426 50 10 JKGE CC(C)(C)c1ccc(C(=O)N/N=C/c2ccc(OC(=O)c3cccc4ccccc34)cc2)cc1 48573877 IJQWOCJFDRPPER-NDZAJKAJSA-N 450.538 6.120 50 10 JKGE C[C@@H](NC(=O)/C(C#N)=C/c1cc(Br)ccc1OCc1ccccc1F)c1ccccc1 59255697 VTJJAYNTJGPTSD-VYVDHXHBSA-N 479.349 5.952 50 10 JKGE CCCCC1CCC(C(=O)N2c3ccc(C(=O)[C@H](Br)CCC)cc3C[C@@H]2C)CC1 71432533 RDAHZXNNIDKWLD-OGALPTFVSA-N 462.472 6.707 50 10 JKGE Cc1ccc(CS/C(Nc2ccc(C)c(Cl)c2)=C(/C#N)S(=O)(=O)c2ccccc2)cc1 96482143 TTZGSAMMNTWCIL-VHXPQNKSSA-N 469.031 6.469 50 10 JKGE Fc1cc2c(cc1Br)nc(CCl)n2-c1ccc(Br)cc1Cl 97398600 OFCWJUGJMCHWPR-UHFFFAOYSA-N 452.936 6.082 50 10 JKGE CC(C)c1ccccc1N/C=C(/C#N)c1nc(-c2cc3cc([N+](=O)[O-])ccc3oc2=O)cs1 100080654 RFEKMFBPGODHQG-VBKFSLOCSA-N 458.499 5.925 50 10 JKGE CCc1ccc(N2C(=O)[C@@H](Cc3ccc(C)c(C)c3)S/C2=C(/C#N)C(=O)Nc2ccccc2C)cc1 101244944 YAIYCFCVKFYANF-BPDFDMIXSA-N 495.648 6.239 50 10 JKGE CCOc1ccc(-c2csc(/C(C#N)=C\Nc3ccc4c(C(F)(F)F)cc(=O)oc4c3)n2)cc1 102420440 LWJWSXTXWLKEJM-QINSGFPZSA-N 483.471 6.311 50 10 JKGE CC(C)C(=O)[C@@H](Br)Cc1c(Br)cc(Br)cc1Br 104001903 WNUYBPRTCYXSSQ-NSHDSACASA-N 491.843 5.505 50 10 JKGE Brc1cc([C@@H](Br)[C@@H]2COc3ccccc32)sc1Br 128204094 KCDLDUWNFFKMSI-PELKAZGASA-N 452.993 5.885 50 10 JKGE COc1cc([C@H](Br)c2cc(Cl)ccc2Cl)c(OC)cc1Br 134296791 ZPYPPNLGGHIRPD-OAHLLOKOSA-N 454.973 6.257 50 10 JKGE Brc1ccc(Br)c([C@@H](Br)C2C3CC4CC(C3)CC2C4)c1 160231516 IQAQQHBAFHDNAU-HLOKUZTGSA-N 463.051 6.720 50 10 JKGE Clc1cc(Br)ccc1CC(CBr)(CBr)Cc1ccccc1 168967333 YWKXVMRMCLQHGO-UHFFFAOYSA-N 495.480 6.664 50 10 JKGE CCCOc1ccc(-c2nn(-c3ccccc3)cc2/C=C2\C(=O)N(C(C)C)C(=O)C(C#N)=C2C)cc1 214248418 JJJFRXAUSPOADZ-XYGWBWBKSA-N 480.568 5.329 50 10 JKGE CC[C@@H](NC(=O)/C(C#N)=C\NCCc1cccc(Br)c1)c1ccc2c(c1)CCCC2 217193652 YPVUJQLFZZWSTH-IAAPFODBSA-N 466.423 5.135 50 10 JKGE O=[N+]([O-])c1ccc(C[C@@H](Cl)c2cc(I)ccc2Br)cc1 236029202 QNQWVYVOFSUHHU-CQSZACIVSA-N 466.500 5.485 50 10 JKGE Fc1cc(F)c([C@@H](Br)c2cc(Br)ccc2Br)cc1F 236224155 CPSFOEBVABYHRI-ZDUSSCGKSA-N 458.897 6.113 50 10 JKGE CC(=NNC(=O)CSc1nnc(-c2ccc(C(C)(C)C)cc2)n1-c1ccccc1)c1cccs1 254761156 LWQCEBKCIFRQFE-UHFFFAOYSA-N 489.670 5.926 50 10 JKGE CCOc1cc(C=NNC(=O)CNc2cccc3ccccc23)ccc1OC(=O)c1ccc(C)cc1 254868633 XQWPXNAXXCXUDD-UHFFFAOYSA-N 481.552 5.328 50 10 JKGE Fc1cc([C@H](Br)c2cccc(OCc3ccccc3)c2)c(F)cc1Br 311198649 HEZZYKIHVHCVLN-HXUWFJFHSA-N 468.135 6.791 50 10 JKGE Cc1ccc(Br)c([C@@H](Cl)c2cc(I)cc3c2OCC3)c1 312410240 WWMSAJTWRNXKRS-OAHLLOKOSA-N 463.540 5.625 50 10 JKGE Cc1ccc(Cl)cc1[C@@H]1CN(C(=O)OCc2ccccc2)C[C@@H]1CI 382737136 XORWLCROTOPEBC-QFBILLFUSA-N 469.750 5.436 50 10 JKGE Cl[C@@H](c1cc(Br)c(Br)s1)c1ccccc1OCc1ccccc1 390807568 MRRUAGZMPKPVQE-QGZVFWFLSA-N 472.629 7.180 50 10 JKGE CC(C)[Si](OC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC=C4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@@]21C)(C(C)C)C(C)C 605697109 GWSKDKFALUWOQA-BWVDWJPHSA-N 488.873 8.755 50 10 JKGE in-vitro CC(C)(C)OC(=O)N1c2ccccc2NC[C@H]1c1ccccc1CO[Si](C)(C)C(C)(C)C 616685239 DFQBGOONKRZCSJ-QHCPKHFHSA-N 454.687 7.117 50 10 JKGE C[C@H](CC(F)F)CC(CBr)(CBr)c1ccccc1Br 687837483 XXJHEQVRZAWKEP-SNVBAGLBSA-N 462.998 6.158 50 10 JKGE O=C(Nc1cccc(CCl)c1)c1ccc(I)c(Br)c1 721623188 SKTALGKHDUVZID-UHFFFAOYSA-N 450.501 5.045 50 10 JKGE CC(C)(C)OC(=O)N1CCC2(CC1)Oc1ccccc1[C@H](Br)[C@@H]2Br 725274578 XJGGDNUPCDAJDG-GJZGRUSLSA-N 461.194 5.048 50 10 JKGE COc1cc(C=NNC(=O)CC[C@H](O)c2ccccc2)ccc1OCc1ccc2ccccc2c1 725433977 LRONVHQQXSUCSG-SANMLTNESA-N 468.553 5.391 50 10 JKGE Cc1ccc(-c2ccc(C=NNC(=O)c3ccccc3Br)o2)cc1Br 1083921085 YHZNMLJQADCKTP-UHFFFAOYSA-N 462.141 5.544 50 10 JKGE O=C(CC[C@H](O)c1ccccc1)NN=Cc1ccc(Oc2ccc(C(F)(F)F)cc2[N+](=O)[O-])cc1 1084005524 DRSINBZMZIGUQL-NRFANRHFSA-N 487.434 5.370 50 10 JKGE Cc1cccc(COc2c(Cl)cc(C=NNC(=O)CC[C@H](O)c3ccccc3)cc2Cl)c1 1084087797 WWTUVAUKWWMVGR-QHCPKHFHSA-N 471.384 5.845 50 10 JKGE COc1ccc(/C(C#N)=C/c2cccc(OC(=O)c3ccc(C(F)(F)F)cc3)c2)cc1OC 1615066377 DPNWDJCRZHVPAH-XDHOZWIPSA-N 453.416 6.006 50 10 JKGE COc1ccccc1/C(C#N)=C/c1cccc(OC(=O)[C@@H](C)Oc2ccc(Cl)cc2Cl)c1 1615067278 WWNYRKITKCASKY-YAJBTMAUSA-N 468.336 6.439 50 10 JKGE FC(F)(F)c1cc(-c2ccc(Cl)c(OCCCBr)c2)cc(C(F)(F)F)c1 1615951338 RRMQIERLVMHUQD-UHFFFAOYSA-N 461.627 7.208 50 10 JKGE Cc1cccc(NC(=O)c2oc3c(c2C)C(=NNC(=O)c2ccc(Br)cc2)CCC3)c1 1772743650 HUVDWPHNEMTJTR-UHFFFAOYSA-N 480.362 5.382 50 10 JKGE CCCc1nn(-c2cccc(Cl)c2)c2c1[C@@H](c1cccc(OC)c1OCC)C(C#N)=C(N)O2 1865693961 SKFSNIPSVRUYHU-NRFANRHFSA-N 464.953 5.104 50 10 JKGE CCc1ccc([C@@H]2C(C#N)=C(N)Oc3c2c(-c2ccc(OC)cc2)nn3Cc2ccccc2F)cc1 1865708752 FKCJHKSFZMZJEC-RUZDIDTESA-N 480.543 5.527 50 10 JKGE CC[C@](C)(NC(=O)Cc1nc(-c2ccc(Cl)cc2)oc1C)C(=O)Nc1ccc(SC#N)cc1 1866669212 QSPMBXCFYBXHQS-DEOSSOPVSA-N 482.993 5.343 50 10 JKGE CCC[C@H](NC(=O)[C@@H](C)c1ccc(Br)cc1)C(=O)Nc1ccc(SC#N)cc1 1866946030 KHPUGZXMEAWGQP-LIRRHRJNSA-N 460.397 5.049 50 10 JKGE CC[C@H](NC(=O)[C@H](c1ccc(Cl)cc1)C1CCCC1)C(=O)Nc1ccc(SC#N)cc1 1867006321 TUDXBNWZSPUMKZ-VXKWHMMOSA-N 456.011 5.720 50 10 JKGE Cc1ccccc1-c1nc(Nc2ccc(SC#N)cc2)cc(N2CCc3cc4ccccc4nc32)n1 1868300336 CASPBWPFGLIWKW-UHFFFAOYSA-N 486.604 7.011 50 10 JKGE O=C(Oc1ccc2c(=O)c(-c3ccc4c(c3)OCCCO4)c(C(F)(F)F)oc2c1)C(Cl)Cl 1871386368 QVQNTMPUUPPTKS-UHFFFAOYSA-N 489.229 5.349 50 10 JKGE COc1ccccc1OC/C(O)=C(\C#N)c1nc(-c2cc(C(C)(C)C)ccc2OC)cs1 1872751621 QAAHISFROYIZDC-ZZEZOPTASA-N 450.560 5.996 50 10 JKGE COc1ccc(-c2csc(/C(C#N)=C(\O)CNC(=O)c3ccc(C(C)(C)C)cc3)n2)c(C)c1C 1872753824 OORILGUKJWENSN-LNVKXUELSA-N 475.614 5.956 50 10 JKGE CCCCCCOc1ccc(/C(O)=C(\C#N)c2nc(-c3cc(OC)c(Cl)cc3OC)cs2)cc1 1872754657 CSLJHAWUKYZURS-QQTULTPQSA-N 499.032 7.390 50 10 JKGE CCOc1ccc(-c2csc(/C(C#N)=C(\O)C(c3ccccc3)c3ccccc3)n2)c(OCC)c1 1872755605 WGKMCPHYRAVJOK-COOPMVRXSA-N 482.605 7.232 50 10 JKGE COc1ccc(-c2csc(/C(C#N)=C/c3ccc(OCc4ccc(Cl)cc4)cc3)n2)cc1OC 1872781760 OYWOCBFTEMOPQB-FYJGNVAPSA-N 488.996 7.124 50 10 JKGE COc1cc(Br)cc(/C=C(\C#N)c2nc(-c3ccc(Cl)cc3Cl)cs2)c1O 1872781928 WQOAGDYDZWKDBJ-NYYWCZLTSA-N 482.186 6.658 50 10 JKGE COc1cc(/C=C(\C#N)c2nc(-c3ccc4c(c3)OCO4)cs2)ccc1OCCCc1ccccc1 1872792363 UWIXUNGALPJIOT-OEAKJJBVSA-N 496.588 6.623 50 10 JKGE CCOc1cc(/C(O)=C(\C#N)c2nc(-c3cccc(Cl)c3)cs2)cc(OCC)c1OCC 1872818068 LKONXWIPSVAQNG-PYCFMQQDSA-N 470.978 6.609 50 10 JKGE Clc1ccc([C@@H](Br)c2sccc2Br)c(I)c1 1901581987 IWFNNRYIJRYCAI-SNVBAGLBSA-N 492.401 6.253 50 10 JKGE COc1cc(C)c(Br)cc1[C@@H](Br)c1c(C)nsc1Br 1912976766 VRYCRIKXOUKAOJ-GFCCVEGCSA-N 470.024 5.778 50 10 JKGE CC[C@H](Br)CN(Cc1ccccc1)C(=O)c1cc(Cl)c(C)cc1Br 1915090294 JOOGHGAKDWCWNZ-HNNXBMFYSA-N 473.636 6.227 50 10 JKGE BrC[C@H](C1CC1)N(Cc1ccccc1)Cc1cc(Br)cc2c1OCC2 1915144289 VEHIIHVSIFGADY-HXUWFJFHSA-N 465.229 5.560 50 10 JKGE CC(C)[C@H](CBr)N(Cc1ccccc1)C(=O)Cc1cccc(Br)c1 1915293888 RHVBUTWSRSBHJV-IBGZPJMESA-N 453.218 5.440 50 10 JKGE Cc1c(Br)sc([C@@H](Cl)c2cc(F)c(F)c(F)c2F)c1Br 1922921263 PDBQWGHCVHDHQU-ZETCQYMHSA-N 452.492 6.466 50 10 JKGE COc1ccc(CC[C@@H](Br)c2sc(Br)cc2Br)cc1 1922953337 BYMYDHKQKXDAJK-LLVKDONJSA-N 469.036 6.351 50 10 JKGE Cc1cc(Cl)ccc1[C@@H](Br)c1sc(Br)c(C)c1Br 1922953352 CEHNZLGNIXKVIQ-LLVKDONJSA-N 473.455 7.028 50 10 JKGE Clc1c(Br)sc(Br)c1[C@@H](Br)[C@@H]1CC[C@H]2C[C@H]1CO2 1923068308 PMLSUYQBQGNNEY-LKHWLPBLSA-N 479.459 6.178 50 10 JKGE CC1(C)CO[C@@H](C[C@@H](Cl)c2c(Br)sc(Br)c2Br)C1 1924613507 JEECRCBQGSDQJD-NKWVEPMBSA-N 481.475 6.521 50 10 JKGE Cc1ccc(F)c([C@@H](Br)c2c(Cl)sc(Br)c2Cl)c1F 1925590515 OZEHNRFCWRXXEY-MRVPVSSYSA-N 450.957 6.888 50 10 JKGE Clc1sc(Br)c(Cl)c1[C@@H](Br)c1cc2c(s1)CCCCC2 1925598706 JZMFLDKFJUVCFC-NSHDSACASA-N 475.098 7.632 50 10 JKGE Cc1ccnc(C(=O)N(Cc2ccccc2)[C@@H](CBr)C(C)C)c1Br 1927122229 NUMHNNIFNWFJTJ-INIZCTEOSA-N 454.206 5.214 50 10 JKGE Cc1ccc(Br)c([C@H](Br)c2sc(Cl)cc2Br)c1 1948829745 WSWQYNCDXQTNNC-NSHDSACASA-N 459.428 6.719 50 10 JKGE Cc1cc(Br)sc1[C@@H](Br)c1ccc(F)cc1I 1950207582 IHQUDOPUUJFGTP-NSHDSACASA-N 489.973 6.047 50 10 JKGE Brc1ccc(Br)c(CNCCCCCCI)c1 2006503405 NQZOONUWKBWPTR-UHFFFAOYSA-N 475.006 5.297 50 10 JKGE CC(C)(C)OC(=O)NCCSSCCN[C@H]1CCC(F)(F)C[C@H]1OCc1ccccc1 2010827526 SDXKYHCVSJRRAR-RBUKOAKNSA-N 476.655 5.255 50 10 JKGE COc1cccc(C[C@@H](Br)c2csc(Br)c2Br)c1 2032953815 QVQXKZLBTCSBGL-LLVKDONJSA-N 455.009 5.960 50 10 JKGE Cc1cc(Br)c([C@H](Cl)c2cc(Br)n(C)n2)cc1Br 2033076153 QAOCMNZXEDIZTA-LBPRGKRZSA-N 457.391 5.344 50 10 JKGE Clc1c(Br)sc(Br)c1[C@H](Br)[C@H]1[C@H]2CCCCC[C@H]21 2048339827 KJXGWASPFITZML-IBCQBUCCSA-N 477.487 7.189 50 10 JKGE COCc1cc(Br)c([C@@H](Br)c2nc(C)sc2Br)s1 2050332453 AAGZKXDPXRSBTP-QMMMGPOBSA-N 476.053 5.669 50 10 JKGE CN(Cc1ccccc1)[C@@H]1CCCN(c2cc(Br)cc(F)c2CBr)C1 2051131556 MKHWJCBLEPXISC-QGZVFWFLSA-N 470.224 5.584 50 10 JKGE FC(F)(F)[C@@H]1C[C@H]1C[C@@H](Br)c1c(Br)sc(Br)c1Cl 2065505181 JLBDQJNKLCCURU-VPENINKCSA-N 491.392 6.951 50 10 JKGE COc1cc(Cl)c([C@H](Br)c2ccc(Br)s2)cc1Br 2082378258 YIVRQSQGAVILDN-LBPRGKRZSA-N 475.427 6.419 50 10 JKGE FC(F)(F)[C@@H]1CCc2c(Br)cc(Br)cc2[C@@H](Br)C1 2083318183 NLMRSWLVLQNYPT-LDWIPMOCSA-N 450.918 6.162 50 10 JKGE COc1c(Br)cc(C)cc1[C@@H](Br)c1csc(Br)c1 2083443236 BSJRWFDLSJQRKA-LBPRGKRZSA-N 455.009 6.074 50 10 JKGE ClCc1c(Br)cccc1OCc1cccc(Br)c1Br 2092332620 HSOZOFSDAWANLV-UHFFFAOYSA-N 469.398 6.292 50 10 JKGE C[C@@H](c1ccncc1Br)[C@H](Cl)c1cc(I)ccc1F 2113348194 GLMOUKXGFANFOC-RTHLEPHNSA-N 454.508 5.671 50 10 JKGE CN(C(=O)c1cc(Br)c(Br)s1)C1(CBr)CCSCC1 2114715721 DKXCAHCMONKDDF-UHFFFAOYSA-N 492.096 5.006 50 10 JKGE Cc1cc(Br)c(CBr)c(N(C)CC2CCN(Cc3ccccc3)CC2)c1 2116807194 WAPZFKZMMXEOTI-UHFFFAOYSA-N 480.288 6.001 50 10 JKGE COC[C@]1([C@@H](Br)c2ccc(Br)c(C)c2Br)CCCO1 2138867637 XXDJCUSZVLWHLT-KBPBESRZSA-N 457.000 5.152 50 10 JKGE Cc1cc(C)c([C@@H](Cl)c2c(Br)cccc2Br)c(C)c1Br 2150493182 JJFQAQBDOXKWIY-MRXNPFEDSA-N 481.453 7.228 50 10 JKGE O=C1Cc2cc([C@H](Br)c3cc(Cl)c(Cl)s3)c(Br)cc2N1 2156050200 LENFPMPVOJMYDP-LBPRGKRZSA-N 455.986 5.796 50 10 JKGE O=C(NC[C@H]1CCCC[C@@H](Br)C1)c1cc(Br)cc(Br)c1 2163745046 DHAFIMIZJQUBSG-CMPLNLGQSA-N 468.027 5.285 50 10 JKGE CC(C)(F)[C@](C)(F)CC(CBr)(CBr)c1cccc(Br)c1 2168974074 TXZGYROSIFITQH-CQSZACIVSA-N 477.025 6.343 50 10 JKGE CC(C)c1nc(COc2c(Br)cc(CBr)cc2Br)cs1 2169816232 AMUMAMGRNNDHRS-UHFFFAOYSA-N 484.051 6.265 50 10 JKGE CC(C)(C)OC(=O)NCCSSCCN[C@@H](c1cccs1)c1ccc(Cl)s1 2181748380 UVVSFKYAOORJFP-INIZCTEOSA-N 465.131 6.048 50 10 JKGE Cc1cc(Br)c(C)c([C@H](Br)c2ccc(F)cc2Cl)c1Br 2201069278 KBHBDCMOMVPCAB-OAHLLOKOSA-N 485.416 7.105 50 10 JKGE Cc1cc(Br)c(C)c([C@H](Br)[C@@H]2CC[C@H]3[C@@H]2C3(F)F)c1Br 2201080174 WVLULHMJRJHATI-XSPYEYLBSA-N 472.993 6.556 50 10 JKGE COc1cc(F)c([C@H](Br)c2ccc(Br)cc2C)cc1Br 2202902482 RCNAUWNNORFBOM-OAHLLOKOSA-N 466.970 6.152 50 10 JKGE Clc1ccc(I)c(CN2CC[C@@H]3CC[C@@H](Br)C[C@H]3C2)c1 2204105856 NUDLRHCLLLACBF-SGMGOOAPSA-N 468.604 5.330 50 10 JKGE CC1(C)OC[C@@H](c2sc(Br)c(Br)c2Br)[C@@H]1Br 2212201227 VAJRLPFLXSZMAJ-NVNXEXLPSA-N 497.872 5.692 50 10 JKGE Cc1ccc(I)c(C(=O)N(Cc2ccccc2)[C@@H](CCl)C(C)C)c1 2217395769 NRIXPCCZJMCXLF-IBGZPJMESA-N 455.767 5.505 50 10 JKGE Cl[C@H](Cc1sc(Br)c(Br)c1Br)CN1CCCCC1 2222449887 QAOBHJDDIRBMAY-MRVPVSSYSA-N 480.491 5.671 50 10 JKGE CCOCc1cc(Br)c([C@H](Br)c2cc(Cl)c(Cl)s2)s1 2224769931 CHEOYSQQXYEVLV-SNVBAGLBSA-N 465.059 6.900 50 10 JKGE C[C@]1([C@@H](Br)c2cc(Br)c(Br)cc2F)CCCC1(F)F 2225615501 ICDCQNVCEFVTKE-NWDGAFQWSA-N 464.945 6.612 50 10 JKGE Cc1sc([C@@H](Br)c2cc(Cl)c(Cl)c(Cl)c2Cl)c(C)c1Br 2234463887 JOKFWGKYBAUXJF-VIFPVBQESA-N 497.894 8.225 50 10 JKGE Cc1cc(Br)c([C@@H](Br)[C@@H]2CCCS(=O)(=O)C2)c(C)c1Br 2235614095 FBIHXOUODGVYAL-YGRLFVJLSA-N 489.067 5.089 50 10 JKGE COc1cc(Br)c([C@@H](Br)c2cccc(Br)c2F)cc1C 2236007334 IWWXHSQCUHHFKL-AWEZNQCLSA-N 466.970 6.152 50 10 JKGE Clc1cccc([C@@H](CBr)OCCOCCOCCOCc2ccccc2)c1 2236088416 HAQZJEDTCKNCHN-OAQYLSRUSA-N 457.792 5.043 50 10 JKGE COC12CCC([C@H](Br)c3cc(Br)c(C)cc3Br)(CC1)C2 2240296999 RLUDPQBZFCCBLO-QQFBHYJXSA-N 467.039 6.305 50 10 JKGE CS(=O)(=O)c1cscc1[C@@H](Br)c1sc(Cl)cc1Br 2260090915 GJERNHXGZFLZAH-SECBINFHSA-N 450.626 5.113 50 10 JKGE Brc1ccc(Br)c([C@@H](Br)C[C@H]2CCCCC23CC3)c1 2264950100 XPXZDQOFXLHTEG-ABAIWWIYSA-N 451.040 7.008 50 10 JKGE Cc1cc(Br)c(C)c([C@@H](Br)[C@H]2CCC23CCC3)c1Br 2266138064 HYYNIVUAZOBSBH-ABAIWWIYSA-N 451.040 6.845 50 10 JKGE COc1ccc([C@H](Cl)c2cccc(Br)c2C)cc1I 2269552933 NTDYXWFKTUANJL-HNNXBMFYSA-N 451.529 5.699 50 10 JKGE COc1c([C@H](Br)c2ccc(Br)c(C)c2Br)csc1C 2271694004 JAZMEMBAYADWNF-CYBMUJFWSA-N 469.036 6.383 50 10 JKGE COc1cc(OC)c([C@@H](Br)c2occc2Br)cc1Br 2278033975 MAOFTBMMFVJZMN-GFCCVEGCSA-N 454.940 5.306 50 10 JKGE Cc1cc(C)c([C@H](Br)c2cccc(Cl)c2Br)c(C)c1Br 2283198063 PBFVUVBSBUONIS-MRXNPFEDSA-N 481.453 7.275 50 10 JKGE COc1ccc([C@@H](Cl)c2ccc(F)cc2I)c(Br)c1Cl 2283552810 JCQDGCYHNZNIST-ZDUSSCGKSA-N 489.937 6.183 50 10 JKGE COc1ccc([C@H](Br)Cc2c(F)cccc2F)cc1I 2284999333 PLBODGLUNJIHFP-LLVKDONJSA-N 453.064 5.257 50 10 JKGE Fc1cc(Br)c(F)c(Br)c1[C@H](Br)C[C@H]1C[C@@H]1C(F)(F)F 2288361732 DLUWJCYRKCSMLH-NGJCXOISSA-N 486.898 6.514 50 10 JKGE COc1cc(OC)c([C@@H](Br)c2scc(C)c2Br)cc1Br 2295416857 NOLOATCNKNOJLS-CYBMUJFWSA-N 485.035 6.083 50 10 JKGE Cc1ccc(NC=C(C#N)c2nc(-c3ccc(Cl)c(Cl)c3)cs2)c(Br)c1 2295948535 GNZFOZOKHWBNLN-UHFFFAOYSA-N 465.203 7.164 50 10 JKGE Cc1ccc(C[C@H]2SC(=C(C#N)C(=O)Nc3ccc(F)cc3)N(c3ccccc3)C2=O)cc1Cl 2296506699 ASJRBZPJEQIGSK-HSZRJFAPSA-N 491.975 5.853 50 10 JKGE CCCCOc1ccc(-c2nn(-c3ccccc3)cc2C=C(C#N)C(=O)NC[C@@H]2CCCO2)cc1C 2296538422 OKDKSZHZGYYUGK-SANMLTNESA-N 484.600 5.229 50 10 JKGE Cc1cccc(NC(SCc2ccccc2Cl)=C(C#N)S(=O)(=O)c2ccccc2)c1 2297349959 HRQSSECECSRIQQ-UHFFFAOYSA-N 455.004 6.160 50 10 JKGE N#CC(=Cc1cn(-c2ccccc2)nc1-c1ccccc1)c1nc(-c2cccc([N+](=O)[O-])c2)cs1 2297369418 SCKAOQKCJOHPBM-UHFFFAOYSA-N 475.533 6.635 50 10 JKGE CC(C)=CCCC(C)=CC[C@@]12OC(C)(C)[C@H](Cl)C[C@]1(Cl)C(=O)c1c(O)cc(O)cc1C2=O 2297719520 BCPWMPCOEAOEDD-NGXZDTIWSA-N 481.416 6.082 50 10 JKGE CC1(C)CO[C@H]([C@H](Br)c2cc(Br)ccc2OCc2ccccc2)C1 2299534642 GCUNAEYDDCXJKR-RBUKOAKNSA-N 454.202 6.279 50 10 JKGE Brc1cc(OCc2ccccc2)ccc1[C@@H](Br)C1(CC2CCC2)CC1 2314444172 JYWNULKYJKSVLG-OAQYLSRUSA-N 464.241 7.435 50 10 JKGE FC(F)(F)[C@@H]1C[C@@H]1C[C@@H](Br)c1cc(Br)ccc1OCc1ccccc1 2314492398 WSFPZFKDWVMVKY-KBRIMQKVSA-N 478.146 7.053 50 10 JKGE Brc1cc(Br)cc(CO[C@H]2CCCCC[C@@H]2I)c1 2315459045 SZEJKFDJWJWOFP-KBPBESRZSA-N 488.001 5.865 50 10 JKGE Cc1ccc([C@H](Br)c2c(C)cc(Br)c(F)c2Br)s1 2317428637 JEIWVFSTEPFORI-NSHDSACASA-N 457.000 6.513 50 10 JKGE CC1(C)CCC[C@H](Cc2ccc(I)c(Br)c2)[C@@H]1Br 2325225604 HDHBVMMSXLKLNO-RISCZKNCSA-N 486.029 6.186 50 10 JKGE CC(C)(C)OC(=O)NCCCCCC(=O)NN=Cc1ccc(OCc2ccc(Cl)cc2)cc1 2328799954 GJXHHZNVDPQKDY-UHFFFAOYSA-N 474.001 5.454 50 10 JKGE CC(C)(C)c1csc(C(C#N)=C(O)c2cccc(N3COc4ccc5ccccc5c4C3)c2)n1 2331306051 DLYNIIXNSSOHIG-UHFFFAOYSA-N 467.594 6.900 50 10 JKGE COc1cc(C=CC(O)=C(C#N)c2nc(-c3ccc(C)cc3)cs2)cc(Br)c1OC 2331312308 GLOJCNLRGQTPEN-UHFFFAOYSA-N 483.387 6.404 50 10 JKGE COc1ccc(C(C)(C)C)cc1-c1csc(C(C#N)=C(O)Cc2ccc(OC(C)C)cc2)n1 2331349224 BEMRPMSNWLPSFX-UHFFFAOYSA-N 462.615 6.939 50 10 JKGE COc1cc(-c2csc(C(C#N)=C(O)c3cc([N+](=O)[O-])cc([N+](=O)[O-])c3)n2)c(OC)cc1Cl 2331377264 DMAUEIVKYVMHTH-UHFFFAOYSA-N 488.865 5.247 50 10 JKGE CCOc1ccc(-c2csc(C(C#N)=C(O)[C@@H](C)N3C(=O)c4ccccc4C3=O)n2)c(OCC)c1 2331386518 HYTUVFVSFUTLEC-OAHLLOKOSA-N 489.553 5.085 50 10 JKGE N#CC(=Cc1cc2c(cc1[N+](=O)[O-])OCCO2)c1nc(-c2cc(Cl)ccc2Cl)cs1 2331488924 ILEIKNULLPXPQV-UHFFFAOYSA-N 460.298 5.860 50 10 JKGE Cc1cc(Br)c([C@@H](Br)[C@H]2C[C@@H]3CC[C@H]2O3)c(C)c1Br 2333708232 FAGKEUUPFMLRGS-JOXOIDLHSA-N 453.012 5.832 50 10 JKGE Brc1cc(OCc2ccccc2)ccc1[C@@H](Br)[C@@H]1C[C@H]2CCC[C@H](C2)C1 2336044494 OONZAMBAJDHYFR-LVBDUCALSA-N 478.268 7.681 50 10 JKGE C[C@]1([C@@H](Br)c2ccc(OCc3ccccc3)cc2Br)CCCC(F)(F)C1 2336047964 QBPYLYYVRUONQQ-PMACEKPBSA-N 488.210 7.680 50 10 JKGE COc1c(Br)cc(C)c([C@H](Br)[C@@H]2CCCCO2)c1Br 2339652395 YYNSBZNTYXZWQY-CMPLNLGQSA-N 457.000 5.534 50 10 JKGE CN(Cc1c(Br)cccc1Br)C[C@@H](CBr)CC1CC1 2340639574 YWHDADHQIZEOQV-GFCCVEGCSA-N 454.044 5.455 50 10 JKGE Cc1ccc(OCc2cc(I)ccc2Br)c(CBr)n1 2341777896 DTBQMDVVJWIFJL-UHFFFAOYSA-N 496.968 5.231 50 10 JKGE Brc1cc(CN2CC[C@@H](Br)CC23CCC3)ccc1I 2349826700 VKZBTZQNIORULI-GFCCVEGCSA-N 499.028 5.336 50 10 JKGE C[C@@]1([C@@H](Cl)c2c(Cl)cc(Br)c(F)c2Br)CCCC1(F)F 2362231424 FNYZCORZGOADPB-RYUDHWBXSA-N 454.939 7.110 50 10 JKGE CCC1CCC(CBr)(OCc2cc(Br)cc(Br)c2)CC1 2362241582 YDMQFGFWAOOZIJ-UHFFFAOYSA-N 469.055 6.462 50 10 JKGE COc1c(Br)cc(C)c([C@H](Br)C[C@H](C)C(F)(F)F)c1Br 2365188892 PIBLRMAZEFFSJM-JGVFFNPUSA-N 482.960 6.553 50 10 JKGE COc1c(Br)cc(C)c([C@H](Br)C(C)(C)C2CCC2)c1Br 2365235088 KUBSMPJLIWJDCP-HNNXBMFYSA-N 469.055 6.791 50 10 JKGE CC(C)(C)[C@@H]1CC[C@@H]1[C@H](Br)c1c(Cl)cc(Br)c(F)c1Br 2369225655 KNCRIWXCNIAZQK-SXMVTHIZSA-N 491.464 7.512 50 10 JKGE Clc1ccc(I)cc1CN1CC2(CCC2)CC[C@H]1CBr 2380512718 SPDDHHYBSZRCBA-AWEZNQCLSA-N 468.604 5.474 50 10 JKGE ClCc1nc2cccc(Br)c2n1CCC12CC(I)(C1)C2 2381619398 LCRDOQTZLNXDLS-UHFFFAOYSA-N 465.560 5.285 50 10 JKGE O=C(NC1CCCCC1)[C@@H](c1ccc(Cl)cc1)N(C(=O)CCl)c1ccccc1Cl 3035292 DGAQSVMWNHYBKW-OAQYLSRUSA-N 453.797 5.755 50 10 JKGE CC(C)(C)c1ccc(OCC(=O)N/N=C/c2c3ccccc3cc3ccccc23)c(Br)c1 12403450 KXTZVCQIECNTEQ-MUFRIFMGSA-N 489.413 6.582 50 10 JKGE COc1cc(/C=N/NC(=O)c2ccccc2O)cc(Br)c1OCc1ccc(Cl)cc1 14407418 QYRJVZIDJGHLIK-BRJLIKDPSA-N 489.753 5.160 50 10 JKGE COc1ccc(/C=C/C(=O)Oc2cccc(/C=C(/C#N)c3ccc(OC)c(OC)c3)c2)cc1OC 31902964 PTDROBXYJBWQNL-PRSXHFSJSA-N 471.509 5.404 50 10 JKGE CCOC(=O)/C(C#N)=C1/S[C@@H](Cc2cc(Cl)ccc2Cl)C(=O)N1c1ccc(C)cc1 33729346 ABNJWGPLAQUSRZ-MXTRNAPSSA-N 461.370 5.291 50 10 JKGE N#C/C(=C\c1ccc(-c2cccc([N+](=O)[O-])c2)o1)c1nc(-c2ccc(Br)cc2)cs1 35518336 MQNSYIZBSYYNGE-LFIBNONCSA-N 478.327 6.805 50 10 JKGE Cc1cc(C)cc(Oc2nc3c(C)cccn3c(=O)c2/C=C(/C#N)C(=O)Nc2ccccc2Cl)c1 39858787 WIJWRLWJVFTOMV-RGEXLXHISA-N 484.943 5.611 50 10 JKGE Cc1ccc(Oc2nc3ccccn3c(=O)c2/C=C(/C#N)C(=O)Nc2ccc(Cl)cc2)c(C)c1 39858853 RLTJNLKTFYNQAT-JXAWBTAJSA-N 470.916 5.303 50 10 JKGE Cc1c(C(=O)Nc2cccc(Cl)c2)oc2c1/C(=N/NC(=O)c1ccc(Cl)cc1)CCC2 40811681 WRGAJHJQPHCMRS-OVVQPSECSA-N 456.329 5.618 50 10 JKGE Cc1c(C(=O)Oc2cccc3cccnc23)oc2c1/C(=N/NC(=O)c1cccc3ccccc13)CCC2 40813618 CAOIJUPNUPSRPE-AWSUPERCSA-N 489.531 5.979 50 10 JKGE Cc1occc1C(=O)N/N=C1\CCCc2oc(C(=O)Nc3ccccc3C(F)(F)F)c(C)c21 40823436 YVBWJILQCAXRNV-OGLMXYFKSA-N 459.424 5.231 50 10 JKGE COc1cc(/C=N/NC(=O)COc2cc(C)c(Cl)c(C)c2)ccc1OCc1ccc(Cl)cc1 40846881 BMXHXIPFHSMDCG-XODNFHPESA-N 487.383 5.727 50 10 JKGE Cc1cc(C)c2c(n1)sc1c(SSc3ncnc4c3sc3nc(C)cc(C)c34)ncnc12 53993747 SPNMRHRPVUZEHX-UHFFFAOYSA-N 492.680 6.825 50 10 JKGE Cc1ccc(COc2ccc(Br)cc2/C=C(/C#N)C(=O)Nc2cccc(C)c2C)cc1 59201414 DWHGMQDZBCSGMQ-XKZIYDEJSA-N 475.386 6.499 50 10 JKGE Cc1cc(C)c(/C(CSc2nc3ccccc3s2)=N\NC(=O)c2cccc(Cl)c2)cc1C 59460693 QDDTWVCEGTVYMF-SLMZUGIISA-N 480.058 6.801 50 10 JKGE Fc1cc([C@@H](Br)Cc2ccc(Br)cc2)c(F)cc1Br 70474365 VFBSASLQAXIHGK-NSHDSACASA-N 454.934 6.169 50 10 JKGE CC(C)C1=CC(=C(C#N)C#N)C=C(/C=C/c2cc3c4c(c2)C(C)(C)CCN4C(C)(C)C[C@H]3C)O1 72266018 CSANIHVYKOULCA-NDDJGDGRSA-N 453.630 7.271 50 10 JKGE CCCCOc1ccc([C@@H](C(=O)NC2CCCCC2)N(Cc2ccc(C)cc2)C(=O)CCl)cc1 97915119 XDLBEHPWEANPQJ-MHZLTWQESA-N 485.068 5.932 50 10 JKGE CC1=C(C#N)C(=O)N(Cc2ccccc2)C(=O)/C1=C/c1ccc(-c2ccc(Br)cc2)o1 101335091 QAWYANHMYVVBHQ-FYJGNVAPSA-N 473.326 5.502 50 10 JKGE CCn1c2ccccc2c2cc(N/C=C(/C#N)c3nc(-c4ccc(CC(C)C)cc4)cs3)ccc21 102420702 GLRCERPQUKTDRK-NKFKGCMQSA-N 476.649 8.113 50 10 JKGE Cc1ccc(C[C@@H]2S/C(=C(\C#N)C(=O)N3CCCCC3)N(c3ccccc3)C2=O)cc1Cl 102973461 VLEBRRDSDYAMAF-KVHSSYOWSA-N 466.006 5.087 50 10 JKGE Cc1cc(C)c(N/C(SCc2cc(C)ccc2C)=C(\C#N)S(=O)(=O)c2ccccc2)c(C)c1 104689488 JGDLZJFCJXEVMM-RFBIWTDZSA-N 476.667 6.741 50 10 JKGE COc1cc(Br)c([C@H](Br)Cc2cccc(Br)c2)cc1OC 109860234 QCIVJVFGWXQPDR-CYBMUJFWSA-N 479.006 5.908 50 10 JKGE Brc1ccc([C@@H](Br)c2cc3c(cc2Br)OCCCO3)cc1 109865136 XWTLKTRHRFHBQE-MRXNPFEDSA-N 476.990 5.857 50 10 JKGE CC(C)(c1ccccc1)[C@H](Br)c1cc(Br)sc1Br 109869913 IWVRQHQRTWUCQN-GFCCVEGCSA-N 453.037 6.687 50 10 JKGE Fc1cccc(Cl)c1CC(CBr)(CBr)c1ccc(Br)cc1 118878634 ZWISIGMAKYEPEE-UHFFFAOYSA-N 499.443 6.512 50 10 JKGE O=C1Cc2cc([C@H](Cl)c3cc(Br)c(Br)s3)c(Cl)cc2N1 128546051 MWMGBVPWTXBMOI-LBPRGKRZSA-N 455.986 5.749 50 10 JKGE Cc1cc(Br)c([C@@H](Br)c2ccc3c(c2)CCO3)cc1Br 128842022 JBCWXDHQLMWGJW-INIZCTEOSA-N 460.991 5.939 50 10 JKGE Cc1ccc([C@H](Cl)c2cc(Br)ccc2Br)cc1Br 130409510 AJTVDGDNOFHGIR-AWEZNQCLSA-N 453.399 6.611 50 10 JKGE Brc1ccc(Br)c([C@H](Br)c2cnn(-c3ccccc3)c2)c1 161088505 UJOHYHPIQZUFND-MRXNPFEDSA-N 470.990 5.882 50 10 JKGE COc1cc(CBr)cc(Br)c1OCc1ccc(Br)cn1 167175003 BJAINDSUINBNKL-UHFFFAOYSA-N 465.967 5.089 50 10 JKGE CCOc1cc(/C=C(/C#N)C(=O)NCc2ccco2)ccc1OC(=O)COc1cccc(C(C)C)c1 206738698 RMIPSAZABUAFPQ-XKZIYDEJSA-N 488.540 5.009 50 10 JKGE ClCc1cc(Br)c(OCc2cccc(Cl)c2Cl)c(Br)c1 236020700 XXGWLLIXOFWHCL-UHFFFAOYSA-N 459.392 6.836 50 10 JKGE CC(C)[C@@H]1CC[C@]2(C)CC[C@]3(C)[C@H](CC[C@@H]4[C@]3(C)CC[C@@H]3C(C)(C)C(=O)OC(=O)C[C@@]34C)[C@@H]12 254518832 FGIQVZRHSAAMRL-DOKLWUSRSA-N 456.711 7.424 50 10 JKGE FC(F)(F)c1ccc(C[C@@H](Br)c2sccc2I)cc1 311477606 AHTQTJONJFXYNA-SNVBAGLBSA-N 461.084 6.050 50 10 JKGE COc1cc([C@H](Br)c2cccc(OCc3ccccc3)c2)c(OC)cc1Br 312713227 QNYHLWCSOFCQRU-JOCHJYFZSA-N 492.207 6.530 50 10 JKGE C[C@@H](Cl)c1nc2cc(I)ccc2n1-c1cnn(Cc2ccccc2)c1 389708464 RFIONCMPGXSTGX-CYBMUJFWSA-N 462.722 5.175 50 10 JKGE Cc1sc([C@@H](Br)c2cccc(OCc3ccccc3)c2)cc1Br 390808128 NUCYXPGCVQKFHF-IBGZPJMESA-N 452.211 6.882 50 10 JKGE CC(C)(C)[Si](C)(C)OCCN1CCC[C@H](c2ccc(CO[Si](C)(C)C(C)(C)C)cc2)CC1 616601009 NLEIDWVRMKQQMS-DEOSSOPVSA-N 477.882 7.800 50 10 JKGE Cc1cc(Br)c([C@@H](Br)[C@@]2(C)CC[C@@H](C)C2(C)C)cc1Br 699069526 OGSFUFCOLHSLRO-RGYTYGDFSA-N 467.083 7.418 50 10 JKGE BrCc1cc(Br)cc(Br)c1OCC[C@H]1C[C@@H]1C1CC1 714880486 SLZNRDNLFGILIA-GXFFZTMASA-N 453.012 5.922 50 10 JKGE C[C@H]1CCN(Cc2ccccc2)C[C@@H]1n1c(CCCl)nc2cc(I)ccc21 716298582 HOYCTCAUBCZNLL-KKSFZXQISA-N 493.820 5.505 50 10 JKGE Fc1ccc([C@@H](Br)c2cccc(F)c2I)c(F)c1Cl 721732929 UNTUCTJWJRSMBK-SNVBAGLBSA-N 461.446 5.846 50 10 JKGE Cc1ccc(NC(=O)/C(C#N)=C/c2cc(C)n(-c3ccc(C45CC6CC(CC(C6)C4)C5)cc3)c2C)cc1 1084148417 SPTOXLDMFFVSDL-LQKURTRISA-N 489.663 7.416 50 10 JKGE O=C(O)c1ccc(COc2c(Cl)cc(C=NNC(=O)c3cc4ccccc4o3)cc2Cl)cc1 1084342428 INRNXPHQPUKCSJ-UHFFFAOYSA-N 483.307 5.781 50 10 JKGE CC(CC(=O)Nc1ccc(Cl)cc1Cl)=NNC(=O)C(c1ccccc1)c1ccccc1 1084369128 RCGAQXWOWDNXJR-UHFFFAOYSA-N 454.357 5.646 50 10 JKGE COc1cc(C=NNC(=O)c2cccs2)cc(Br)c1OCc1cccc2ccccc12 1084513337 AGQHNSCZQWOLBZ-UHFFFAOYSA-N 495.398 6.015 50 10 JKGE O=C(CSc1nc2ccccc2[nH]1)NN=Cc1ccc(OCc2ccc(Br)cc2)cc1 1084622518 BEJJLQIPWHGNGL-UHFFFAOYSA-N 495.402 5.147 50 10 JKGE Cc1c(C(=O)Oc2ccc3ccccc3c2)oc2c1C(=NNC(=O)c1cccc(Cl)c1)CCC2 1772745618 DEGDEGPSFMASCE-UHFFFAOYSA-N 472.928 6.084 50 10 JKGE N#CC1=C(N)Oc2c(c(C(F)(F)F)nn2-c2ccc(Cl)cc2)[C@@H]1c1c(F)cccc1Cl 1865685748 MGVBGGFQODBPHZ-AWEZNQCLSA-N 469.225 5.555 50 10 JKGE CCCc1nn(Cc2ccc(Cl)cc2)c2c1[C@@H](c1cccc(OC)c1OCC)C(C#N)=C(N)O2 1865693527 OUYZTPLFQCOQSH-QFIPXVFZSA-N 478.980 5.163 50 10 JKGE CCCCCOc1ccc([C@@H]2C(C#N)=C(N)Oc3c2c(CC)nn3Cc2ccccc2)cc1OC 1865696286 LOIYZRDFDLTBRP-RUZDIDTESA-N 472.589 5.290 50 10 JKGE CCCn1nc(CC)c2c1OC(N)=C(C#N)[C@@H]2c1ccc(OCc2ccc(Cl)cc2Cl)cc1 1865700841 FQFPVRYGPLINIT-QFIPXVFZSA-N 483.399 5.959 50 10 JKGE CC(C)Oc1ccc(/C=C(C(/O)=C(\C#N)c2nc(-c3ccccc3Cl)cs2)\c2ccccc2)cc1 1872746774 XOXDUOYJTLYJSU-BEHWMOFKSA-N 499.035 8.284 50 10 JKGE CN(C)c1ccc(/C(O)=C(\C#N)c2nc(-c3cccc(Br)c3)cs2)cc1[N+](=O)[O-] 1872747279 VXJJPXOKSFFXBR-CYVLTUHYSA-N 471.336 5.497 50 10 JKGE Cc1ccc(-c2csc(/C(C#N)=C(\O)c3ccc4c(c3)C(=O)N(Cc3ccccc3)C4=O)n2)cc1 1872749099 AZMCUNRDLREEPT-BZZOAKBMSA-N 477.545 5.865 50 10 JKGE COc1cc(-c2csc(/C(C#N)=C(\O)[C@H]3CC(=O)N(Cc4ccccc4)C3)n2)c(OC)cc1Cl 1872754741 GSVLLNHTLMPTPN-YKTMHCBJSA-N 495.988 5.322 50 10 JKGE COc1cc(OC)c(-c2csc(/C(C#N)=C(\O)CNC(=O)c3ccc(Cl)cc3)n2)cc1Cl 1872756132 DLRAEANECGYLRJ-SDXDJHTJSA-N 490.368 5.357 50 10 JKGE Cc1csc(/C(C#N)=C(\O)[C@@H](C)N2C(=O)c3c(Cl)c(Cl)c(Cl)c(Cl)c3C2=O)n1 1872757376 CJGSBRLRABUCHS-BMKZCKETSA-N 477.156 5.543 50 10 JKGE CCN(Cc1ccccc1)c1ccc(/C=C(\C#N)c2nc(-c3ccc(OC)c(C)c3)cs2)cc1 1872781104 VAAACQVURYRSTO-KOEQRZSOSA-N 465.622 7.218 50 10 JKGE COc1cccc(/C=C(\C#N)c2nc(-c3ccc(C(C)C)cc3)cs2)c1OCc1cccc(C)c1 1872791436 JHNFKOAKLFFOCW-WGOQTCKBSA-N 480.633 7.894 50 10 JKGE CCN(Cc1ccccc1)c1ccc(/C=C(\C#N)c2nc(-c3ccc(F)c(F)c3)cs2)cc1 1872793233 OVEYKPKBBBLQLV-HYARGMPZSA-N 457.549 7.179 50 10 JKGE O=C(N[C@H](CBr)[C@H]1CC=CCC1)c1cc(Br)sc1Br 1885069811 KLTKLAXSNGGPTC-WCBMZHEXSA-N 472.040 5.123 50 10 JKGE COc1cc(C)c([C@H](Br)c2cc(C)sc2Br)cc1Br 1901587479 ZCZYJQVZEAFLDI-ZDUSSCGKSA-N 469.036 6.383 50 10 JKGE CCOc1cc(Cl)c([C@@H](Br)c2c(C)nsc2Br)cc1Cl 1912983449 ZYPHIKSKYAXHLK-GFCCVEGCSA-N 460.018 6.404 50 10 JKGE COc1cccc(Br)c1C(=O)N(Cc1ccccc1)[C@H](C)CCBr 1915129929 FCGWXQYBLMWYIE-CQSZACIVSA-N 455.190 5.274 50 10 JKGE CC(C)[C@@H](CBr)N(Cc1ccccc1)C(=O)c1ccc(Br)cc1F 1915297200 DFGARBMWYDNPPI-GOSISDBHSA-N 457.181 5.650 50 10 JKGE CC[C@H](C)c1ccc(S(=O)(=O)N(Cc2ccccc2)[C@H](CBr)C(C)C)cc1 1915321793 APEFYRFJTNUAGT-PGRDOPGGSA-N 452.458 5.811 50 10 JKGE Brc1ccc(CN2[C@H]3CCC[C@H]2CC(Br)C3)c(Br)c1 1922746212 QTLAJWKITNYCBY-KBPBESRZSA-N 452.028 5.492 50 10 JKGE Cc1cc(Br)cc([C@H](Cl)c2sc(Br)c(C)c2Br)c1 1922941227 NRSAVXZCVYMBKE-NSHDSACASA-N 473.455 6.981 50 10 JKGE CCC[C@H](C)[C@H](Br)c1c(Br)sc(Br)c1Br 1924575893 HGXCMYQUXLXJJU-FSPLSTOPSA-N 483.889 6.908 50 10 JKGE Fc1ccc(Br)cc1[C@H](Cl)c1c(Cl)sc(Br)c1Cl 1925586554 ALBAXHQFEBGVBY-QMMMGPOBSA-N 453.385 7.047 50 10 JKGE COc1ccc(Br)cc1[C@H](Cl)c1c(Cl)sc(Br)c1Cl 1925588177 DLTUNMSRDLMRAX-VIFPVBQESA-N 465.421 6.917 50 10 JKGE CCCC(CBr)(CCC)CN(CCNC(=O)OC(C)(C)C)Cc1ccccc1 1955949329 NYWMHLHOHCJJNS-UHFFFAOYSA-N 455.481 5.995 50 10 JKGE CC(F)(F)C1([C@H](Br)c2cc(Br)sc2Br)CCC1 2016004158 OYUNDFYYWNMDRD-MRVPVSSYSA-N 452.984 6.535 50 10 JKGE Clc1ccc([C@@H](Br)Cc2ccccc2I)cc1Cl 2027336683 UYJPSMOXOVIFEU-NSHDSACASA-N 455.948 6.277 50 10 JKGE COc1sc([C@H](Br)c2cccc(Br)c2C)cc1Br 2034630899 ZYBFXLBLQXOEJX-GFCCVEGCSA-N 455.009 6.074 50 10 JKGE Cc1cc(Br)c(CBr)c(Oc2ccc(I)cc2)c1 2053203703 SUSAPOXBNIPEHF-UHFFFAOYSA-N 481.953 6.049 50 10 JKGE Cc1cc(Br)c(CBr)c(N2CCC[C@H](N(C)Cc3ccccc3)C2)c1 2053213104 OVVVXCLXJZOSEZ-SFHVURJKSA-N 466.261 5.753 50 10 JKGE Cn1cnc2sc([C@H](Br)c3cc(Br)c(Br)s3)cc21 2054804569 COFJXHNMGTUQOT-SECBINFHSA-N 471.037 5.706 50 10 JKGE Cc1cc(C)c([C@@H](Br)c2cc(Br)sn2)c(C)c1Br 2056495641 GKPWJSYVEODXJV-ZDUSSCGKSA-N 454.025 6.078 50 10 JKGE Fc1cc(Br)cc(N2C[C@H]3CCN(Cc4ccccc4)[C@H]3C2)c1CBr 2068563941 YGJZUQSIFZEXDR-QRWLVFNGSA-N 468.208 5.194 50 10 JKGE CC[C@@]12CC[C@@]([C@@H](Br)c3cc(Br)sc3Br)(CO1)C2 2082039697 PLXMSDCEBVMBGF-DRZSPHRISA-N 459.041 6.058 50 10 JKGE COc1cc(F)c([C@H](Br)c2ncsc2Br)cc1Br 2082782632 UOJNGALFXYETAL-VIFPVBQESA-N 459.960 5.300 50 10 JKGE Brc1ccc([C@H](Br)Cc2ccccc2Br)c(Br)c1 2083311189 GXJKBGXYSWDAOY-CYBMUJFWSA-N 497.850 6.653 50 10 JKGE Clc1cc(Br)cc([C@H](Cl)c2ccc(Br)cc2Br)c1 2083329748 HBZRBMIFCCQNLD-ZDUSSCGKSA-N 473.817 6.956 50 10 JKGE BrC[C@H](Cc1ccc(Br)cc1)Cc1csc(Br)c1 2084077124 MHPPMNHBWAWUSQ-LLVKDONJSA-N 453.037 6.069 50 10 JKGE CC12COC(COc3c(Br)cc(Br)cc3CBr)(C1)C2 2093909117 GZVPIJGLWLFLQJ-UHFFFAOYSA-N 454.984 5.054 50 10 JKGE CC(C)(C)C1CC(CBr)(Cc2cccc(Br)c2Br)C1 2104974413 JJQZUIWOPKIAHY-UHFFFAOYSA-N 453.056 6.592 50 10 JKGE FC1(F)CCC2(CC1)C[C@H]2[C@H](Br)c1cc(Br)c(Br)s1 2107093379 VEOUHIPONZBCSA-XVKPBYJWSA-N 479.022 6.925 50 10 JKGE Cc1c(Br)sc([C@@H](Br)C[C@@H](C(F)F)C(C)(C)C)c1Br 2111372826 BRZYZNQNCBRYJU-YUMQZZPRSA-N 483.054 7.335 50 10 JKGE FC(F)(F)[C@H]1CN(Cc2ccccc2)CCN1c1ccc(Br)cc1CBr 2130160267 SZXLOJVDRGCABF-GOSISDBHSA-N 492.177 5.597 50 10 JKGE Cc1cc(Br)c(C)c([C@H](Cl)c2cc(Br)oc2C)c1Br 2136380064 QYFGGHIWQKBTCJ-CQSZACIVSA-N 471.414 6.821 50 10 JKGE BrC[C@@H]1CCC2(CCC2)N1Cc1ccc(Br)cc1Br 2140848482 VDXLSEKEGQKJQL-ZDUSSCGKSA-N 452.028 5.494 50 10 JKGE Cl[C@H](c1ccc(-c2cccs2)s1)c1cc(Br)c(Br)s1 2140970418 LXHWPMLXRWAMLW-GFCCVEGCSA-N 454.661 7.391 50 10 JKGE Cl[C@H](c1c(Br)sc(Br)c1Br)[C@H]1C[C@H]2COC[C@H](C2)C1 2141794589 UWLVCABSWUEREX-PJFCORBGSA-N 493.486 6.378 50 10 JKGE Clc1cc(CN2CC[C@@H]3C[C@H](Br)CC[C@@H]32)ccc1I 2142948820 DVBIXWZEYWARIF-JMSVASOKSA-N 454.577 5.083 50 10 JKGE Fc1ccc([C@H](Br)c2cc(Br)c3c(c2)CCO3)c(Br)c1 2146630283 VVWUMAWUJOZJSL-CQSZACIVSA-N 464.954 5.770 50 10 JKGE FC1(F)[C@@H]([C@@H](Br)c2cc(I)cc3c2OCC3)C12CCC2 2149875336 VCRKHNDJGOPOHV-AAEUAGOBSA-N 455.080 5.098 50 10 JKGE ClCc1nc2cc(Cl)ccc2n1Cc1scc(Br)c1Br 2150562868 ONWXQQILXWGAGU-UHFFFAOYSA-N 455.002 6.063 50 10 JKGE COc1cc(F)c([C@H](Br)c2cccc(F)c2Br)cc1Br 2202904712 VUAAVQHSCAGEKH-CYBMUJFWSA-N 470.933 5.983 50 10 JKGE O=C(c1cc(Br)ccc1Br)N1[C@H](CBr)CCC12CCC2 2205773121 NYSMCTIZTZMLMV-NSHDSACASA-N 466.011 5.134 50 10 JKGE Cc1sc(Br)cc1[C@H](Br)c1sc(Br)c(C)c1C 2213619351 CWPOULQHOISDLW-JTQLQIEISA-N 459.066 6.744 50 10 JKGE Clc1cc(Br)ccc1C[C@@H](Br)c1cscc1OCc1ccccc1 2215851106 CCESWPRUEMKRIZ-QGZVFWFLSA-N 486.656 7.422 50 10 JKGE Cc1ccc(I)c(C(=O)N(Cc2ccccc2)[C@H](CCl)C(C)C)c1 2217395773 NRIXPCCZJMCXLF-LJQANCHMSA-N 455.767 5.505 50 10 JKGE COc1ccc([C@H](Br)c2cc(Br)c(Br)cc2F)cc1Cl 2233981059 CVHKBNLCPMIPMN-AWEZNQCLSA-N 487.388 6.497 50 10 JKGE CCCC[C@H](C)CC[C@H](Br)c1c(Br)cc(C)c(Br)c1C 2235610650 HAMDYWPYTIZYOT-FZMZJTMJSA-N 469.099 7.871 50 10 JKGE CC(C)(C)OC(=O)N1CCC(CI)(OCc2ccc(C(F)(F)F)cc2)CC1 2239611980 UAHPBLVFCNHKEX-UHFFFAOYSA-N 499.311 5.427 50 10 JKGE COc1ccc([C@H](Cl)c2sccc2I)cc1I 2248885618 CTTQKIVIMUDJSU-NSHDSACASA-N 490.531 5.294 50 10 JKGE Cl[C@H](Cc1cc(Br)cc(Br)c1)c1cccc(OCc2ccccc2)c1 2263518269 BQBPTICPXFXRFJ-OAQYLSRUSA-N 480.627 7.313 50 10 JKGE Cc1cc([C@@H](Br)c2c(Br)cc(C)c(F)c2C)sc1Br 2264470390 FOWXCJWOBSBRCT-GFCCVEGCSA-N 471.027 6.822 50 10 JKGE COc1ccc([C@H](Br)c2cc(Br)c(C)s2)c(Br)c1Cl 2268262002 PDRSGJZUAXTQPL-NSHDSACASA-N 489.454 6.728 50 10 JKGE Brc1cocc1[C@H](Br)c1cc2c(cc1Br)OCCO2 2270482967 FSFTTZWZGHDWBM-CYBMUJFWSA-N 452.924 5.060 50 10 JKGE Cc1csc([C@H](Br)c2c(F)cc(Br)c(F)c2Br)c1C 2272721879 MXTUZUWDPNFEBP-LLVKDONJSA-N 474.990 6.652 50 10 JKGE Fc1cc(Br)c(F)c(Br)c1[C@@H](Br)[C@@H]1CC2(CC2)CO1 2272730094 BDHURRHKBQVWQG-WPRPVWTQSA-N 460.938 5.495 50 10 JKGE Fc1cc(Br)c(F)c(C[C@H](Br)c2ccc(Br)cc2)c1 2272898725 YZJRCVRFWQSJKY-LBPRGKRZSA-N 454.934 6.169 50 10 JKGE Clc1ccc(Cl)c([C@@H](Br)c2cc3sc(Br)cc3s2)c1 2278099428 DXPMCAZNHKMMMJ-CYBMUJFWSA-N 457.039 7.516 50 10 JKGE COc1c([C@H](Br)c2nc(C)sc2Br)cc(Br)c(C)c1C 2284524406 OMIMLKDXLOWWIR-NSHDSACASA-N 484.051 6.086 50 10 JKGE Cc1cc(Br)c([C@H](Br)[C@H]2COC3(CCC3)C2)c(C)c1Br 2284848891 XZCBXEVTLMMBDX-IAQYHMDHSA-N 467.039 6.224 50 10 JKGE COc1ccc2nc(C(C#N)=Cc3cc(C)n(-c4sc5c(c4C#N)CCCC5)c3C)[nH]c2c1 2294284569 GAEWBMCBLHGDFI-UHFFFAOYSA-N 453.571 5.855 50 10 JKGE Cc1cc(C(F)(F)F)sc1[C@H](Br)c1c(Cl)sc(Br)c1Cl 2295058622 BBNCGMJZNILDJQ-ZCFIWIBFSA-N 489.003 7.690 50 10 JKGE Clc1ccc(Br)cc1CO[C@@H](CI)c1ccccc1Cl 2295174585 ZRQOSRCCNQEVER-HNNXBMFYSA-N 485.974 6.449 50 10 JKGE C[C@@H]1CC[C@@](C)([C@H](Br)Cc2cc(Br)cc(Br)c2)C1(C)C 2295344689 BZDHTXOFDNHYCO-JGFGOQIWSA-N 467.083 6.980 50 10 JKGE COc1ccc(Oc2cc(Br)cc(F)c2CBr)cc1Br 2295373848 XJWNIGZECUDUDW-UHFFFAOYSA-N 468.942 6.047 50 10 JKGE COC(=O)c1ccccc1NC=C(C#N)c1nc(-c2cc3c(ccc4ccccc43)oc2=O)cs1 2296802141 BLKACYKEWKUVFY-UHFFFAOYSA-N 479.517 5.833 50 10 JKGE N#CC(C(=O)NCc1ccccc1)=C1S[C@@H](Cc2ccc(F)cc2)C(=O)N1c1ccc(Cl)cc1 2296834969 HOMPCDJDJODJME-QHCPKHFHSA-N 491.975 5.222 50 10 JKGE Cc1cc(C=C(C#N)C(=O)OCC(=O)Nc2ccccc2Cc2ccccc2)c(C)n1CCC(C)C 2297356698 NHNFONMEKJSXAB-UHFFFAOYSA-N 483.612 5.831 50 10 JKGE O=C(CSc1nc2ccccc2n1Cc1ccc(Cl)cc1)NN=CC=Cc1ccccc1 2297459067 PPIKVTRUZYGFIQ-UHFFFAOYSA-N 460.990 5.646 50 10 JKGE Cc1cccn2c(=O)c(C=C(C#N)c3nc4ccccc4[nH]3)c(Oc3ccc(Br)cc3)nc12 2297468025 JAUJSCHANPNZNI-UHFFFAOYSA-N 498.340 5.498 50 10 JKGE CCCC1([C@H](Br)c2ccc(OCc3ccccc3)cc2Br)CCC1 2299494119 IHEZSCZOWQQRME-HXUWFJFHSA-N 452.230 7.435 50 10 JKGE CCCN[C@H](c1ccc(OCc2ccccc2)cc1Br)[C@H]1C[C@H]1Br 2299501984 SPAPRELQJCYPSA-DFQSSKMNSA-N 453.218 5.852 50 10 JKGE COc1c([C@H](Br)c2cc(Br)ccc2OCc2ccccc2)csc1C 2314441712 BAYJOJIPSUDTOK-LJQANCHMSA-N 482.237 6.891 50 10 JKGE Brc1cc(OCc2ccccc2)ccc1[C@@H](Br)C[C@H]1C[C@H]2CC[C@H]1C2 2314448611 JFNRWNYEIOGYGF-UGNRZPKXSA-N 464.241 7.290 50 10 JKGE Clc1ccc([C@H](Cl)c2cc(Br)ccc2OCc2ccccc2)cc1Cl 2314503398 RPUMKRANYUZYCB-FQEVSTJZSA-N 456.594 7.663 50 10 JKGE CC1=C(C#N)C(=O)N(C2CCCCC2)C(=O)C1=Cc1cn(-c2ccccc2)nc1-c1ccccc1 2314616499 CCFFRXLLGRXTSX-UHFFFAOYSA-N 462.553 5.464 50 10 JKGE COc1cc(C=C2C(=O)N(CCc3ccccc3)C(=O)C(C#N)=C2C)ccc1OCc1ccc(C)cc1 2314616640 GFTJKIPEUCFGRY-UHFFFAOYSA-N 492.575 5.418 50 10 JKGE C[C@@]1([C@@H](Br)c2c(Cl)cc(Br)c(F)c2Br)CC1(F)F 2315441528 IIUYLKIGAXWOQG-UWVGGRQHSA-N 471.336 6.485 50 10 JKGE COC1(C(F)F)CC([C@H](Br)c2cc(Br)c(Br)s2)C1 2320058357 ILDSBZKTZRYGEI-QHCBANEHSA-N 468.983 5.769 50 10 JKGE BrC[C@@H](NCc1ccc(I)c(Br)c1)C1CCCC1 2325223841 QTNKEVNEIINMQZ-CQSZACIVSA-N 487.017 5.097 50 10 JKGE COc1ccc(-c2csc(C(C#N)=C(O)Cc3ccc(OCc4ccccc4)cc3)n2)cc1 2331273484 JVQVGRZLXMQQHL-UHFFFAOYSA-N 454.551 6.433 50 10 JKGE Cc1ccc(-c2csc(C(C#N)=Cc3ccccc3OCc3ccc(Cl)cc3)n2)c(C)c1 2331443461 RJZZHJYSVUFNOA-UHFFFAOYSA-N 456.998 7.724 50 10 JKGE CCCCOc1ccc(C=C(C#N)c2nc(-c3cc(C)c(Cl)cc3OC)cs2)cc1OC 2331474329 YRVBFKPBQYVXNH-UHFFFAOYSA-N 469.006 7.032 50 10 JKGE Brc1cc(OCc2ccccc2)ccc1[C@H](Br)[C@H]1C[C@@H]1C1CCOCC1 2336043034 CHGJPURUOSNHIU-URVUXULASA-N 480.240 6.527 50 10 JKGE Cc1cc(Br)c(F)c([C@H](Cl)c2cc(Br)ccc2OCc2ccccc2)c1 2336053254 ICGLYMSGUPUGKU-HXUWFJFHSA-N 498.617 7.566 50 10 JKGE Fc1c(Br)cc(Cl)c([C@@H](Br)[C@H]2C[C@@H]3C[C@@H]3CO2)c1Br 2337086889 QZVNGQDVTZUNJI-QUYDWZKXSA-N 477.393 5.865 50 10 JKGE Fc1c(Br)cc(Cl)c([C@@H](Br)CCOCC(F)F)c1Br 2337114781 UDVHRBKMOYKXIH-YFKPBYRVSA-N 489.351 6.112 50 10 JKGE Clc1ccc(CN2[C@H]3CCC[C@H](Br)[C@H]2CC3)cc1I 2337224880 FMIYVZJVODZRHO-SLEUVZQESA-N 454.577 5.225 50 10 JKGE Clc1nccc(OCc2cc(Br)cc(Br)c2)c1CBr 2344736063 QCZXXJAWUGRSNP-UHFFFAOYSA-N 470.386 5.734 50 10 JKGE Fc1cccc([C@H](CBr)Cc2ccc(I)c(Br)c2)c1 2349842998 QYIAYTJLIIMRMO-LBPRGKRZSA-N 497.971 5.914 50 10 JKGE CCn1ncc(Br)c1[C@@H](Cl)c1c(F)cc(Cl)c(Br)c1Cl 2360497468 QHNQPZACTYUKNV-NSHDSACASA-N 465.375 6.202 50 10 JKGE Fc1cc(Br)cc(CCl)c1OCc1ccc(Cl)c(I)c1 2362436405 QGFZHIZCHHXAFL-UHFFFAOYSA-N 489.937 6.164 50 10 JKGE Cl[C@@H]1C[C@H](Oc2cc(Br)cc(I)c2)C12CCCCCC2 2364105349 DTYLVJZDHYIWSK-CABCVRRESA-N 469.588 6.153 50 10 JKGE Cc1cc(Br)c(F)c(Br)c1[C@@H](Br)[C@@H](C)C1CCCCC1 2365222401 CRSLGYCLLADHPJ-HZMBPMFUSA-N 471.046 7.312 50 10 JKGE COc1c(Br)cc(C)c([C@H](Br)[C@@H]2C[C@H](C)O[C@H]2C)c1Br 2365234428 JFYGSQYLABNEBS-QISWUMQESA-N 471.027 5.778 50 10 JKGE ClC[C@]12CCC[C@H]1N(Cc1ccc(I)c(Br)c1)CCC2 2377342658 INCQOXRSNZAYCM-HZPDHXFCSA-N 468.604 5.427 50 10 JKGE CC(C)(C)OC(=O)N[C@@H]1CN(C[C@@](C)(CBr)C(C)(C)C)CC[C@H]1C(F)(F)F 2380188224 YLEMQOWJNFWFNZ-HBUWYVDXSA-N 459.391 5.211 50 10 JKGE Cc1cnc(N(C)Cc2c(Br)cccc2Br)cc1CBr 2380363378 QWKCVKSKMJIWHC-UHFFFAOYSA-N 463.011 5.446 50 10 JKGE COc1ccc(N(C(=O)CCl)[C@@H](C(=O)NC2CCCCC2)c2ccc(Cl)cc2)c(OC)c1 3035279 MEGFXYACRBDLNI-HSZRJFAPSA-N 479.404 5.119 50 10 JKGE COc1cc(/C=N/N(C(=O)C2CCCCC2)c2nc3ccc(F)cc3s2)cc(OC)c1OC 9148806 BIYYEZHXPLXSOT-VULFUBBASA-N 471.554 5.409 50 10 JKGE CCN(CC)c1ccc(/C=C(/NC(=O)c2ccccc2)C(=O)N/N=C(C)/C=C\c2ccccc2)cc1 20075752 WRMYWRFCBHNNIB-YSEFUQGBSA-N 480.612 5.509 50 10 JKGE COc1ccc(/C(C#N)=C\c2cccc(OC(=O)c3ccccc3Br)c2)cc1OC 31902897 SNVPXMSKRZWWBI-PDGQHHTCSA-N 464.315 5.750 50 10 JKGE O=C(NNC(=S)Nc1nc(-c2ccccc2)cs1)N1c2ccccc2Sc2ccccc21 34896418 SJEVAVHTKPDQGQ-UHFFFAOYSA-N 475.624 6.024 50 10 JKGE N#C/C(=C/c1c(-c2ccccc2)n(-c2ccccc2)c2ccccc12)C(=O)Nc1ccc(F)cc1 35376522 PRRPRGCDYQRIJT-QOCHGBHMSA-N 457.508 6.982 50 10 JKGE N#CC1=C(N)Oc2cc(OC(=O)c3ccc(Br)cc3)ccc2[C@H]1c1ccccc1F 38651885 GHLWPTXMUUIAHD-OAQYLSRUSA-N 465.278 5.026 50 10 JKGE CCOc1cccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4ccc(OC(C)C)cc4)ccc32)c1 38684917 CNSWQBKFYVUIIL-AREMUKBSSA-N 470.525 5.310 50 10 JKGE CCc1ccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4oc5ccc(C)cc5c4C)ccc32)cc1 38700466 KMNQUVNZRPUCBZ-SANMLTNESA-N 464.521 6.049 50 10 JKGE Cc1ccc(Oc2nc3c(C)cccn3c(=O)c2/C=C(/C#N)C(=O)Nc2ccc(C)c(C)c2)c(C)c1 39858878 DZFDODDPABFXBX-JCMHNJIXSA-N 478.552 5.575 50 10 JKGE COc1ccccc1[C@@H]1C(C#N)=C(N)Oc2cc(OC(=O)c3oc4cc(C)ccc4c3C)ccc21 40530326 DGQRKJUMFFDRTP-VWLOTQADSA-N 466.493 5.496 50 10 JKGE COc1ccc2ccccc2c1/C=N/NC(=O)COc1cc(C)c(Br)cc1C(C)C 40912151 WFWZULXFFKXIDJ-LGJNPRDNSA-N 469.379 5.572 50 10 JKGE COc1cc(/C=C(\C#N)c2ccc(Cl)cc2)ccc1OC(=O)CCCOc1ccc(C(C)C)cc1 40950055 DPTFXXXPIYBTEI-JJIBRWJFSA-N 489.999 7.301 50 10 JKGE Cc1ccc(-c2ccccc2)n1-c1ccc(C(=O)N/N=C/c2ccc(-c3ccccc3)cc2)cc1 59305287 HFCBPLAZUIOLDU-WEMUVCOSSA-N 455.561 6.884 50 10 JKGE CCCCC1CCC(C(=O)N2CCCc3cc(C(=O)[C@@H](Br)CCC)ccc32)CC1 71432572 PGIVQVYDPJOJCK-AJTFCVKESA-N 462.472 6.709 50 10 JKGE Fc1ccc(Br)c(C[C@H](CBr)Cc2ccccc2Br)c1 97186066 ZYNVTKZUXCBOMI-LLVKDONJSA-N 464.998 6.147 50 10 JKGE CC1=C(C#N)C(=O)N([C@H](C)c2ccccc2)C(=O)/C1=C/c1ccc(-c2ccc(Br)cc2)o1 101337820 IHRWWCOSLGWPBI-FEMWLQECSA-N 487.353 6.063 50 10 JKGE Cc1ccc(-c2cc(C(=O)NNC(=O)C(=O)c3ccc(C(C)(C)C)cc3)c3ccccc3n2)cc1 109124524 GUAIXQXJPZPZNK-UHFFFAOYSA-N 465.553 5.152 50 10 JKGE CCOc1ccc([C@H](Br)c2cc(Br)ccc2C)c(Br)c1 123755755 BLHUSOKCHBNGAD-INIZCTEOSA-N 463.007 6.403 50 10 JKGE Fc1ccc([C@H](Br)c2ccc(I)cc2)cc1Br 123776054 LRACNRRXMDVPAW-CYBMUJFWSA-N 469.917 5.677 50 10 JKGE COc1c(C)cc(Br)c(C)c1[C@@H](Br)c1ccc(Br)s1 125748014 TUKVXGFMUSBGDY-ZDUSSCGKSA-N 469.036 6.383 50 10 JKGE Cc1cc(Br)c([C@@H](Br)Cc2ccc(Cl)cc2)cc1Br 128820748 MQCAXBPMZDODRU-HNNXBMFYSA-N 467.426 6.852 50 10 JKGE Cc1cc(Br)c([C@@H](Br)c2cccc(C)c2F)cc1Br 132253611 YPKDXUCNBJISIB-AWEZNQCLSA-N 450.971 6.452 50 10 JKGE BrCCCCCCCCC[P+](c1ccccc1)(c1ccccc1)c1ccccc1 139681256 BJSXRHGOXKLXLJ-UHFFFAOYSA-N 468.439 7.106 50 10 JKGE Clc1cc([C@@H](Br)c2ccc3cc(Br)ccc3c2)c(Cl)s1 159677224 PPXNRNDUEVKHGR-AWEZNQCLSA-N 451.010 7.455 50 10 JKGE C[C@@H](Br)[C@@](Br)(CBr)C(=O)Oc1ccc(Cl)cc1Cl 205782461 GDXBXROBZFOHBW-KBUNVGBDSA-N 483.809 5.211 50 10 JKGE COc1c(C)cc(P(C2=CC=C[C@@H]2[C@@H](c2ccccc2)N(C)C)c2cc(C)c(OC)c(C)c2)cc1C 206535250 UJIXMNNVTZWTSC-MFMCTBQISA-N 499.635 6.743 50 10 JKGE CCOc1ccc(C)cc1[C@H](C)N/C=C(/C#N)C(=O)Nc1ccccc1Sc1ccccc1 217243457 AHDUWPWSUOJDEG-HUZQBFDWSA-N 457.599 6.242 50 10 JKGE Clc1cc2c(c([C@H](Br)c3csc(I)c3)c1)OCC2 228453259 DLJMULXWINDAGF-GFCCVEGCSA-N 455.542 5.425 50 10 JKGE O=C(NC[C@@H]1CCCC[C@H]1CBr)c1cc(Br)sc1Br 232476964 ZFZHUVHYQSEMRI-IUCAKERBSA-N 474.056 5.204 50 10 JKGE COC(=O)[C@H](C)[C@@H]1CC[C@@H]2[C@@]34CC[C@@]5(C[C@H](OC(=O)c6ccccc6)CC[C@@]5(C)C3=CC[C@]12C)OO4 254413574 UUHHCZJOUIVZEG-BWABBRPYSA-N 494.628 5.807 50 10 JKGE CCC(=NNC(=O)CSc1nnc(-c2ccc(C)cc2)n1C1CCCCC1)c1ccc(O)cc1 254762233 NSUBOKBROXGJEO-UHFFFAOYSA-N 477.634 5.487 50 10 JKGE FC1(F)CCCC[C@@H]1[C@@H](Br)c1cc(Br)sc1Br 327757516 MUPCOSUOZXBJOQ-APPZFPTMSA-N 452.984 6.535 50 10 JKGE Cc1cc(Br)cc([C@H](Br)c2scc(C(F)(F)F)c2Br)c1 394486681 YHKQGLOWTFOECF-JTQLQIEISA-N 492.980 7.085 50 10 JKGE Cc1cc(Br)ccc1[C@H](Br)c1cc(Cl)c(Cl)c(Cl)c1Cl 404665172 UOHFHIPQXDWVBG-NSHDSACASA-N 477.838 7.855 50 10 JKGE C[C@@H](Br)C[C@H]1CCCCCN1Cc1cc(Cl)ccc1I 405198747 DMSUMSUPCAOXQH-IUODEOHRSA-N 470.620 5.863 50 10 JKGE CC(C)(C)[Si](C)(C)OCc1ccc([C@@H]2CNc3ccccc3N2S(=O)(=O)c2ccccc2)cc1 616686677 OBEAGQWTJQBKMX-SANMLTNESA-N 494.733 6.571 50 10 JKGE C[C@@H](COc1c(Br)cc(CBr)cc1Br)CC(F)F 687883927 OOFZNWUGWNSZAK-SSDOTTSWSA-N 450.943 5.777 50 10 JKGE BrCC(CBr)(Cc1ccccc1Br)C1CCOCC1 696852507 LFWJAFYZPSLIAC-UHFFFAOYSA-N 455.028 5.194 50 10 JKGE Cc1cc(F)c([C@H](Br)c2scc(Br)c2Br)cc1F 705423818 GRSIVQFHDMRUBU-JTQLQIEISA-N 460.963 6.344 50 10 JKGE FC(F)(F)c1cccc(Cl)c1[C@@H](Br)c1cc(Br)c(Cl)s1 712579432 JDUQLHFKPUJQDX-JTQLQIEISA-N 468.947 7.321 50 10 JKGE O=C(NC1(CBr)CCCCCC1)c1cc(Br)ccc1Br 713491012 YJCNXSVBWZAHKG-UHFFFAOYSA-N 468.027 5.429 50 10 JKGE CN(Cc1ccccc1)CC1CCN(c2ccc(CBr)c(Br)c2)CC1 717577700 BNUPJZMHTTWPPD-UHFFFAOYSA-N 466.261 5.692 50 10 JKGE BrCc1cc(Br)cc(Br)c1OC[C@@H]1C[C@H]2CCC[C@@H]2O1 720798460 YBDIXEOULGFSKM-LQJRIPTKSA-N 469.011 5.443 50 10 JKGE COc1ccc([C@H](Cl)c2ccc(I)c(Br)c2)c(Cl)c1 721606844 XNLQGYXRGHSOPR-CQSZACIVSA-N 471.947 6.044 50 10 JKGE Cc1cc(C=NNC(=O)[C@@H](C)Sc2ccccc2)c(C)n1-c1cccc(Br)c1 725410052 JGTNGKDZHAZXKJ-QGZVFWFLSA-N 456.409 5.488 50 10 JKGE COc1cccc(/C=C(/C#N)C(=O)Nc2ccc(Cl)c(Cl)c2)c1OCc1ccccc1Cl 1084137263 AIHNUWSJNVGBOM-BOPFTXTBSA-N 487.770 6.780 50 10 JKGE CCCCCCOc1ccc(C=NNC(=O)COc2ccc(Br)cc2C(C)C)cc1 1772755370 DAAKIPAUNOJTPX-UHFFFAOYSA-N 475.427 6.061 50 10 JKGE N#CC1=C(N)Oc2c(c(-c3ccccc3)nn2-c2ccccn2)[C@@H]1c1cc(Br)ccc1F 1865701709 CJFBLBRNKMWNGA-HXUWFJFHSA-N 488.320 5.054 50 10 JKGE N#CC1=C(N)Oc2c(c(C(F)(F)F)nn2-c2ccccc2Cl)[C@H]1c1ccc(C(F)(F)F)cc1 1865710952 MJIHHHSWJNMFSW-HNNXBMFYSA-N 484.787 5.781 50 10 JKGE COc1ccc([C@@H](NC(=O)/C(C#N)=C/c2ccc(Br)cc2)c2nc(C)cs2)cc1 1866128916 SJKNJULQEWJVDF-FVECTHPASA-N 468.376 5.035 50 10 JKGE Cc1sc(NC(=O)/C(C#N)=C/c2cccc(Cl)c2)nc1-c1ccc(Br)cc1 1866129739 ISEFEYFUMKRCBG-OQLLNIDSSA-N 458.768 6.080 50 10 JKGE Cc1cccc2cc3c(nc12)N(c1cc(Nc2ccc(SC#N)cc2)nc(C(C)(C)C)n1)CC3 1868342351 STOWWUSBJHZAQG-UHFFFAOYSA-N 466.614 6.642 50 10 JKGE CCOc1cc(/C=C(\C#N)c2nc(O)c3ccccc3n2)ccc1OCc1cccc(Cl)c1 1872726722 BBBHAVNYHQDEKE-XDHOZWIPSA-N 457.917 6.031 50 10 JKGE C[C@@H](c1ccccc1)N1C[C@H](/C(O)=C(\C#N)c2nc(-c3ccc(-c4ccccc4)cc3)cs2)CC1=O 1872743894 RIMGGVONBWGJID-WSOBXQHJSA-N 491.616 6.879 50 10 JKGE CC(C)(C)c1ccc(C(=O)NC/C(O)=C(\C#N)c2nc(-c3ccc(Cl)cc3Cl)cs2)cc1 1872744611 AATSZMMVYPKJQC-UZYVYHOESA-N 486.424 6.637 50 10 JKGE CCOc1ccc(-c2csc(/C(C#N)=C(\O)COc3ccc(OC)cc3C(C)(C)C)n2)cc1 1872747416 BPBXEQBAMFWUEG-ATJXCDBQSA-N 464.587 6.387 50 10 JKGE Cc1cc(C)c(C)c(-c2csc(/C(C#N)=C(O)/C=C/c3ccc(Cl)cc3Cl)n2)c1C 1872754527 XEJCBZXQIVTVSW-JJXLZZNYSA-N 455.410 7.857 50 10 JKGE COc1cc(-c2csc(/C(C#N)=C(\O)c3ccc(OC)c(OC)c3)n2)c(OC)cc1Cl 1872755142 ZZRUOSZJMLJBRU-STZFKDTASA-N 458.923 5.448 50 10 JKGE Cc1cc(C)c(-c2csc(/C(C#N)=C(\O)[C@H](C)Oc3ccc(Cl)cc3Cl)n2)c(C)c1 1872755759 DTHPQHMUHWGKLH-AKKXKAEUSA-N 459.398 7.302 50 10 JKGE COc1cc(/C=C(\C#N)c2nc(-c3cccc4ccccc34)cs2)ccc1OCCc1ccccc1 1872792271 PCNBGSNZCCTATH-XIEYBQDHSA-N 488.612 7.658 50 10 JKGE COc1cc([C@@H](Cl)c2c(Cl)sc(Br)c2Cl)ccc1Br 1876918829 LMEXYEMCJYCWDH-SECBINFHSA-N 465.421 6.917 50 10 JKGE COc1cc([C@@H](Br)c2cc(Br)c(OC)s2)ccc1Br 1876919621 WEKVMCDEOSOATL-GFCCVEGCSA-N 471.008 5.775 50 10 JKGE CCc1nn(C)c(C[C@H](Br)c2ccc(Br)cc2)c1Br 1877158676 CJPPFVQNEPCVCH-NSHDSACASA-N 451.000 5.186 50 10 JKGE CC(C)(C)OC(=O)N[C@H](CBr)[C@@H]1CC[C@@H]2CCCN(C(=O)OC(C)(C)C)[C@H]2C1 1885098106 WJEMGHGRMQTLCV-HZMVEIRTSA-N 461.441 5.090 50 10 JKGE C[C@@H]1C[C@@H](Br)[C@@H](Cc2ccc(I)c(Br)c2)C1 1904330812 YUXWEOITAYVPGS-JMJZKYOTSA-N 457.975 5.406 50 10 JKGE Cc1c(Br)sc([C@H](Br)[C@@H]2CCCCC2(F)F)c1Br 1922955366 YPBIXLXCFJEJDJ-IONNQARKSA-N 467.011 6.843 50 10 JKGE Cc1ccc([C@@H](Br)c2c(Br)sc(Br)c2Cl)c(Cl)c1 1923054424 FJFKSVZHABJDIA-SECBINFHSA-N 493.873 7.373 50 10 JKGE CCCc1ccccc1[C@H](Br)c1c(Br)sc(Br)c1Cl 1923065431 CEJFLADLCZJKKJ-NSHDSACASA-N 487.482 7.363 50 10 JKGE Fc1ccc([C@@H](Br)c2c(Br)sc(Br)c2Cl)cc1 1923071157 HCLCIVAHRJQJFT-MRVPVSSYSA-N 463.391 6.550 50 10 JKGE COc1sc([C@H](Br)c2cc(C)c(Br)s2)cc1Br 1946722703 XDOVQAWOFVHPFV-SECBINFHSA-N 461.038 6.136 50 10 JKGE CC(C)(C)OC(=O)Nc1ccc(I)cc1C(F)(F)CBr 1951563584 CMTBTWNGAWBXLE-UHFFFAOYSA-N 462.072 5.125 50 10 JKGE Clc1cccc(Br)c1C[C@H](Br)c1ccc(Br)cc1 2050566992 JWCWDIPWZRKIFF-ZDUSSCGKSA-N 453.399 6.544 50 10 JKGE Clc1cc(C[C@H](Br)c2ccc(Br)cc2)ccc1Br 2050569875 CIULCRVVEPJBCT-ZDUSSCGKSA-N 453.399 6.544 50 10 JKGE CC(C)(C)OC(=O)NCCSSCCN[C@H]1CCN(C(=O)OC(C)(C)C)[C@@H](C2CCC2)C1 2073716867 CPBXNUMOYWYJDU-RBUKOAKNSA-N 489.748 5.050 50 10 JKGE COc1ccc([C@H](Br)c2cccc(Br)c2Br)c(F)c1 2092328213 JIQRCMQWWHMLME-ZDUSSCGKSA-N 452.943 5.844 50 10 JKGE Clc1ccc(I)c(CN2CCC[C@@H](CCBr)CC2)c1 2093318645 PYJRUKXVFNSCDY-LBPRGKRZSA-N 456.593 5.332 50 10 JKGE Cc1cc(Br)c(C)c([C@H](Br)C[C@@H]2OCC[C@@H]2C)c1Br 2136370057 HFNGMVFNLBOHBM-CKLFPEKLSA-N 455.028 6.080 50 10 JKGE COc1c(Br)cc(C)cc1[C@H](Cl)c1ccc(I)cc1 2139016689 JWOBFDURUZWWSR-CQSZACIVSA-N 451.529 5.699 50 10 JKGE Fc1cc2c(cc1I)nc(CCl)n2Cc1cscc1Br 2154091283 VIXNADJKCVZQDU-UHFFFAOYSA-N 485.547 5.391 50 10 JKGE FC1(F)CN(Cc2ccccc2)CCCN(c2c(CCl)ccc(Br)c2Cl)C1 2154365474 VYCGEJAVDJNVIH-UHFFFAOYSA-N 478.208 6.189 50 10 JKGE COc1cc(Br)c([C@@H](Br)c2scc(C)c2Br)cc1OC 2157034836 AWSIUYGIAVWMAV-CYBMUJFWSA-N 485.035 6.083 50 10 JKGE CC(C)(C)[C@]1(CBr)CCN(Cc2c(Br)cccc2Br)C1 2160929869 BLSRTBUEORQXCP-INIZCTEOSA-N 468.071 5.845 50 10 JKGE ClCc1nc2cc(Br)ccc2n1Cc1cccc(I)c1 2175856121 ZLVDSAGBBSEIDS-UHFFFAOYSA-N 461.528 5.191 50 10 JKGE ClCc1nc2cc(I)ccc2n1CCc1ccsc1Br 2186668437 DUPCQXRSUBXVEW-UHFFFAOYSA-N 481.584 5.446 50 10 JKGE CCCCCc1ccc([C@H](Cl)c2ccc(Br)cc2I)s1 2207263201 WBDOHKPUDCTKTI-MRXNPFEDSA-N 483.640 7.176 50 10 JKGE Cc1sc(Br)c(C)c1[C@H](Br)c1cc(I)sn1 2210565311 UXEGFPUOQOFHFQ-SECBINFHSA-N 493.027 5.673 50 10 JKGE Fc1cc(Br)c(Br)cc1[C@H](Cl)c1cc(Br)sn1 2213494322 ZPBXYZKZPYVBMH-JTQLQIEISA-N 464.379 5.898 50 10 JKGE Cc1ccc([C@H](Cl)c2c(C)sc(Br)c2C)cc1I 2218808192 OQQVCHFSMHWZJF-ZDUSSCGKSA-N 455.586 6.369 50 10 JKGE Cc1cccc([C@@H](Cl)Cc2sc(Br)c(Br)c2Br)c1 2222473868 UHTGBLAYHUEZKE-VIFPVBQESA-N 473.455 6.867 50 10 JKGE Fc1cc(Br)c(Br)cc1[C@H](Br)[C@@H]1C[C@@]12CCCOC2 2225620333 UBKHEXCMCZDOHL-QCZZGDTMSA-N 456.975 5.603 50 10 JKGE C[C@@H]1C[C@@H]2C[C@@H]2C[C@@H]1[C@H](Br)c1cc(Br)c(Br)cc1F 2225634059 MYHDYBVWPCQHND-FTWAVSLUSA-N 455.003 6.469 50 10 JKGE ClCc1nc2cc(Br)c(Br)cc2n1-c1cscc1Br 2225698049 VNTXKOTXXLRPSJ-UHFFFAOYSA-N 485.426 6.113 50 10 JKGE C[C@H](Cl)c1nc2c(F)cc(Br)cc2n1[C@H]1CCN(Cc2ccccc2)[C@H]1C 2232915902 JKDDBJNHABUAKQ-DEYYWGMASA-N 450.783 6.073 50 10 JKGE O=C(Nc1ccc(Cl)cc1CCl)c1ccc(I)c(Br)c1 2239623385 VZSHJWFCIWPLKO-UHFFFAOYSA-N 484.946 5.698 50 10 JKGE CCc1cc([C@@H](Br)c2c(C)nsc2Br)sc1Br 2248004837 RXLIIXQZLLHPHM-SECBINFHSA-N 460.054 6.085 50 10 JKGE Cc1cc(Br)cnc1C(=O)N(Cc1ccccc1)[C@H](CBr)C(C)C 2248980797 IVOGCRIIRFNLGK-QGZVFWFLSA-N 454.206 5.214 50 10 JKGE Cc1cc(Br)sc1[C@H](Br)c1cc(F)c(Br)cc1Cl 2255967636 IVFCYCFJYDBIII-LLVKDONJSA-N 477.418 6.858 50 10 JKGE Cc1nc([C@H](Br)Cc2cc(Br)cc(Br)c2)c(C)s1 2263508477 IWHJUFDOHZFFNP-GFCCVEGCSA-N 454.025 5.964 50 10 JKGE Cl[C@@H](Cc1cc(Br)cc(Br)c1)c1cccc(Br)c1 2263519924 YQUYBROKLJIHDW-AWEZNQCLSA-N 453.399 6.497 50 10 JKGE COc1cc(Cl)c(Cl)cc1[C@@H](Br)c1cccc(I)c1 2264369318 VXLCZAFZKDXAGQ-AWEZNQCLSA-N 471.947 6.091 50 10 JKGE CCOc1ccc(Br)cc1[C@@H](Br)c1scc(Br)c1Cl 2264588962 GCYBIZVELFESEQ-LLVKDONJSA-N 489.454 6.810 50 10 JKGE CCN(C[C@](C)(CI)OC[C@H]1CC(F)(F)C12CCC2)C(=O)OC(C)(C)C 2266112527 NCMLJDVSGWDUEV-PBHICJAKSA-N 487.369 5.279 50 10 JKGE CCc1cc(Br)c([C@H](Br)c2cc(Br)c(F)cc2C)s1 2270429648 NWMZXBXRJNUGIU-CYBMUJFWSA-N 471.027 6.767 50 10 JKGE Cc1cc([C@@H](Br)c2c(Br)cc(C)c(F)c2C)ccc1Br 2279144482 NUYWNLQKCPPGTB-OAHLLOKOSA-N 464.998 6.760 50 10 JKGE Fc1cc(Br)c(F)c(Br)c1[C@H](Br)C1[C@@H]2[C@H]3CC[C@@H](C3)[C@@H]12 2288374094 PILIQNCIDSZLJZ-HMIJAUANSA-N 470.977 6.218 50 10 JKGE COc1cc(C)c(Cl)cc1[C@@H](Br)c1c(Br)cccc1Br 2295298277 GAKCZIAWMVJISJ-OAHLLOKOSA-N 483.425 6.666 50 10 JKGE Fc1cc(Br)cc(F)c1[C@H](Cl)Cc1cc(Br)cc(Br)c1 2295334335 VEVIAOHYTKSLLE-LLVKDONJSA-N 489.379 6.775 50 10 JKGE Cc1cc(Br)c(F)c(Br)c1[C@@H](Br)[C@H]1C[C@H](Br)C1 2301502755 OOGXVIUJVHSNDS-BYULHYEWSA-N 493.834 6.269 50 10 JKGE COC(=O)c1c(-n2c(C)cc(C=C(C#N)C(=O)NC3CCCCC3)c2C)sc2c1CCCC2 2313541138 VUOHSPNYBJDVHE-UHFFFAOYSA-N 465.619 5.177 50 10 JKGE COc1cc(C=C2C(=O)N([C@H](C)c3ccccc3)C(=O)C(C#N)=C2C)ccc1OCc1ccc(F)cc1 2314619014 YEHVCCACGOQTKA-HXUWFJFHSA-N 496.538 5.767 50 10 JKGE Cc1ccc(C=CC(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@H]3c2ccc(Cl)c(Cl)c2)cc1 2314634588 LIANIODZSPCLOT-VWLOTQADSA-N 477.347 6.139 50 10 JKGE Cc1c(Br)sc([C@H](Br)[C@H]2CO[C@]3(C)C[C@H]2C3)c1Br 2315922615 DSJNGRLRUXCLML-LSILLSHUSA-N 459.041 5.833 50 10 JKGE Clc1cc(I)c([C@H](Br)[C@@H]2C[C@@H]2C2CCOCC2)s1 2316596785 JFTNKLYKADFOOM-KBVBSXBZSA-N 461.590 5.505 50 10 JKGE Clc1cc(I)c([C@@H](Br)[C@@H]2C[C@H]3CCC[C@H](C3)C2)s1 2316596922 LIOLNHNJPNETHZ-WTBMIXGQSA-N 459.618 6.659 50 10 JKGE Cc1sc(-c2ccccc2)nc1C(=O)NN=Cc1ccc(OC(C)C)c(Br)c1 2323750154 SQZPCUSKFFVCNY-UHFFFAOYSA-N 458.381 5.432 50 10 JKGE COc1ccc(C=C2Oc3c(ccc(OCc4cccc(CCl)c4)c3C)C2=O)cc1OC 2325360571 UPXGSNMTFFXPMI-UHFFFAOYSA-N 450.918 5.946 50 10 JKGE COc1cc(C=CC(O)=C(C#N)c2nc(-c3cccc([N+](=O)[O-])c3)cs2)cc(OC)c1OC 2331232651 LNNBFTYZZFILSO-UHFFFAOYSA-N 465.487 5.250 50 10 JKGE COc1ccc(C)cc1-c1csc(C(C#N)=C(O)c2cc(C(F)(F)F)cc(C(F)(F)F)c2)n1 2331323661 QCXMAQVVVLCOPS-UHFFFAOYSA-N 484.421 7.115 50 10 JKGE N#CC(=Cc1c(OCc2ccccc2)ccc2ccccc12)c1nc(-c2ccc3ccccc3c2)cs1 2331417061 SASSNLGXDBHNJD-UHFFFAOYSA-N 494.619 8.760 50 10 JKGE CCOc1cc(C=C(C#N)c2nc(-c3ccc(F)cc3)cs2)ccc1OCC(=O)N(CC)CC 2331459691 KQYPTJRDIMIIFA-UHFFFAOYSA-N 479.577 5.659 50 10 JKGE COc1cccc([C@@H](Br)c2ccc(OCc3ccccc3)cc2Br)c1Cl 2336043748 HXVARVYEWYGZHS-FQEVSTJZSA-N 496.626 7.174 50 10 JKGE C[C@@]1([C@H](Br)c2cc(Br)ccc2OCc2ccccc2)CCCC(F)(F)C1 2336072496 MTDKCZHEVXBRCZ-WOJBJXKFSA-N 488.210 7.680 50 10 JKGE FC1(F)CCC[C@@H]2[C@H]([C@@H](Br)c3ccc(OCc4ccccc4)cc3Br)[C@H]21 2336077155 FTZQMKBPOQRMSO-GTAWCEEGSA-N 486.194 7.146 50 10 JKGE FC1(F)CCCCC[C@H]1[C@H](Br)c1cc(Br)ccc1OCc1ccccc1 2336084089 QBRBXTJIJUAKDB-AZUAARDMSA-N 488.210 7.680 50 10 JKGE C[C@H](CBr)[C@H]1CCCCN1Cc1ccc(Cl)c(I)c1 2337224051 URIFFSGXCPVGFO-IAQYHMDHSA-N 456.593 5.330 50 10 JKGE Cc1cc(Br)c(F)c(Br)c1[C@@H](Br)[C@H]1CCC[C@@H]2C[C@H]12 2339654273 QYQSBAPUVKCLRV-QYTUQVAYSA-N 455.003 6.531 50 10 JKGE COc1c(Br)cc(C)c([C@H](Br)[C@]2(Cl)CC2(C)C)c1Br 2339660122 ZROLADNQNXXKFA-GXTWGEPZSA-N 475.446 6.372 50 10 JKGE CCC[C@H](CBr)CN1CC[C@H](CCNC(=O)OC(C)(C)C)C[C@H]1C(F)(F)F 2362785648 BHNYWEIOAMUPLC-XHSDSOJGSA-N 459.391 5.355 50 10 JKGE COc1c([C@@H](Br)c2c(C)cc(Br)c(F)c2Br)csc1C 2365178582 KNNQXTMHQLTWSV-LLVKDONJSA-N 487.026 6.522 50 10 JKGE C[C@@H]1CC[C@@H](C(C)(C)Cc2ccc(Cl)cc2I)[C@@H](Br)C1 2366729862 OZAJYUJRTYQSMI-DFBGVHRSSA-N 469.632 6.713 50 10 JKGE Cc1cc(C)c([C@@H]2C(C#N)=C(N)Oc3n[nH]c(C)c32)cc1CSc1ccc(Br)cc1 691793 KVVNWJWHGKLKRJ-OAQYLSRUSA-N 481.419 5.608 50 10 JKGE COc1ccc(C[C@H]2S/C(=C(\C#N)C(=O)Nc3ccccc3C)N(c3ccccc3C)C2=O)cc1 2234107 YFHHZPACHGNSFO-YKMWHWIESA-N 483.593 5.377 50 10 JKGE CC[C@@H](Oc1ccc(-c2ccccc2)cc1)C(=O)NNC(=O)[C@@H](C)Oc1ccc2ccccc2c1 14768972 JQMSUKPYPZUCIT-NFQMXDRXSA-N 468.553 5.279 50 10 JKGE COc1cccc(COc2ccccc2/C=N/NC(=O)[C@H](C)Oc2ccc3ccccc3c2)c1 20311541 LXQTUQWOBDGERT-MJDZGMBVSA-N 454.526 5.345 50 10 JKGE ClCCN(CCCl)c1ccc(SCCNc2c3ccccc3nc3ccccc23)cc1 26822774 XWMICDVYAQYSFM-UHFFFAOYSA-N 470.469 6.876 50 10 JKGE N#C/C(=C/c1ccc(I)cc1)c1nc(-c2ccc(-c3ccccc3)cc2)cs1 33246774 FOGBBRLTRXCIEM-STZFKDTASA-N 490.369 7.146 50 10 JKGE N#C/C(=C\c1ccc(N2N=C(c3ccccc3)C[C@H]2c2ccccc2)cc1)c1ccc(Cl)cc1 33568765 FJSJHSRGDQOSMQ-KECXRQEKSA-N 459.980 7.760 50 10 JKGE CCCn1c(-c2ccc(C(=O)NN(c3ccccc3)c3ccccc3)s2)nc2ccccc21 35554151 PDVUIIIJDMXMRY-UHFFFAOYSA-N 452.583 6.658 50 10 JKGE CCCOc1ccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)COc4cccc(C)c4C)ccc32)cc1 38650696 SFPONWBSDKFDDH-NDEPHWFRSA-N 484.552 5.295 50 10 JKGE CCCCOc1ccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)COc4ccc(C)c(C)c4)ccc32)cc1 38650845 YRLUNHZEZWLICK-GDLZYMKVSA-N 498.579 5.685 50 10 JKGE CCCCOc1ccc(C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@H]3c2ccc(CC)cc2)cc1 38677204 OXKYUWDSVMOSRK-MHZLTWQESA-N 468.553 5.865 50 10 JKGE CCCOc1ccccc1[C@H]1C(C#N)=C(N)Oc2cc(OC(=O)COc3c(C)cccc3C)ccc21 38681554 CBJFPHRRDYOIFN-HHHXNRCGSA-N 484.552 5.295 50 10 JKGE CCCOc1ccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4cccc(C)c4)ccc32)cc1OCC 38683752 NSNYEHRRNXHTAF-MHZLTWQESA-N 484.552 5.620 50 10 JKGE Cc1cc2oc(C(=O)Oc3ccc4c(c3)OC(N)=C(C#N)[C@@H]4c3cccc([N+](=O)[O-])c3)c(C)c2cc1C 38688140 BQUBBJRNEFBYQX-RUZDIDTESA-N 495.491 5.704 50 10 JKGE Cc1ccc(NC(=S)NNC(=O)c2ccc(-c3cc(C(F)(F)F)ccc3Cl)o2)cc1 39892540 OVRRUDXTPAXQBM-UHFFFAOYSA-N 453.873 5.559 50 10 JKGE CCOc1cccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)COc4ccc(C(C)C)cc4)ccc32)c1 40530180 FESVCGSOZIKKBT-MUUNZHRXSA-N 484.552 5.411 50 10 JKGE Cc1ccc(COc2c(Cl)cc(/C=C(/C#N)C(=O)Nc3ccc(C)cc3)cc2Cl)cc1 59335271 RVBIQDCLBCAWPW-JAIQZWGSSA-N 451.353 6.735 50 10 JKGE O=C(N/N=C(/CSc1nc2ccccc2o1)c1ccc(-c2ccccc2)cc1)c1cccnc1 59460744 YKHXTCYPVFMCTJ-KRUMMXJUSA-N 464.550 5.816 50 10 JKGE CCCOc1c(I)cc(/C=C(\C#N)C(=O)Nc2ccccc2)cc1OCC 59484095 JSUWYEHKIWXDSE-LFIBNONCSA-N 476.314 5.024 50 10 JKGE CCCCOc1cccc(N/C=C(/C#N)c2nc(-c3cc4cc([N+](=O)[O-])ccc4oc3=O)cs2)c1 100179621 JLMBOWDCIYPDLV-VKAVYKQESA-N 488.525 5.980 50 10 JKGE Br[C@H](CCCCOCCCC[C@@H](Br)Cc1ccccc1)Cc1ccccc1 100329456 JTOHXMNONITXQD-DNQXCXABSA-N 496.327 7.356 50 10 JKGE COc1ccc([C@@H](Br)c2ccc(Br)c(F)c2)cc1Br 104024923 SSIRZOPXJRICOB-CQSZACIVSA-N 452.943 5.844 50 10 JKGE Fc1ccc(Br)c([C@@H](Br)c2cc3c(cc2Br)OCCO3)c1 109865507 WBPBHPYYTIRXDF-OAHLLOKOSA-N 480.953 5.606 50 10 JKGE COc1ccc([C@H](Br)c2ccc(Br)cc2F)c(Br)c1 109877248 SZOBFPMXYDWEJW-AWEZNQCLSA-N 452.943 5.844 50 10 JKGE Cc1ccc(/C=C\C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@H]3c2ccc(C(C)C)cc2)cc1 205640642 UHOPRBSVPIRZSG-LFZXTJFISA-N 450.538 5.955 50 10 JKGE CCCCCCCOc1ccc(/C=C2\C(=O)N(CCCOC)C(=O)C(C#N)=C2C)cc1OCC 214293679 GFEFMWNDYDSUDP-XLNRJJMWSA-N 468.594 5.063 50 10 JKGE CC[C@H](C)c1ccc([C@@H](Cl)c2cc(I)ccc2Br)cc1 234020849 DBVNZRZJIBNWHL-APPDUMDISA-N 463.584 6.895 50 10 JKGE Cc1cccc([C@@H](Br)c2cc(Cl)sc2Cl)c1I 235928080 HDAWVHQCGIFUFM-SNVBAGLBSA-N 461.977 6.452 50 10 JKGE Clc1sc([C@@H](Cl)c2cc(Br)sc2Br)cc1Br 236038208 HBZGAQXEEWDAOT-ZETCQYMHSA-N 485.875 7.079 50 10 JKGE Fc1cc(Br)cc(COc2c(Br)cc(CCl)cc2Br)c1 236148902 NXXUXXWMPBDABP-UHFFFAOYSA-N 487.388 6.431 50 10 JKGE Brc1cc([C@H](Br)[C@@H]2C[C@H]2c2ccccc2)c(Br)s1 250818765 QFYJSQQFQNMCTQ-OPQQBVKSSA-N 451.021 6.513 50 10 JKGE CC(C)CCC[C@H](C)[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 251428744 RJYDKYCTOASENH-IIHRWXSQSA-N 491.200 8.957 50 10 JKGE biogenic O=C(CSc1nnc(-c2ccccc2)n1-c1ccccc1)NN=C/C(Cl)=C/c1ccccc1 254417011 OLIRZVIYIFWBKA-LAPVNITMSA-N 473.989 5.408 50 10 JKGE CCCCCCCCCCOc1ccc(C(=O)NN=Cc2cc(OC)c(OC)c(OC)c2)cc1 254439198 MWYDEEMLIASCNH-UHFFFAOYSA-N 470.610 5.996 50 10 JKGE Cc1ccccc1CSCC(=O)NN=Cc1ccc(OCc2cccc3ccccc23)cc1 254485097 DXMIBTUMAMDCFP-UHFFFAOYSA-N 454.595 6.111 50 10 JKGE CC[C@@H](C)c1ccccc1OCCn1c(C)c(C=NNC(=O)c2ccncc2)c2ccccc21 254671970 XUVGOPNAISJYQJ-HXUWFJFHSA-N 454.574 5.701 50 10 JKGE CC(=NNC(=O)COc1ccccc1C)c1cccc(NC(=O)c2csc3ccccc23)c1 254705659 FZUVLDJCBMRSTJ-UHFFFAOYSA-N 457.555 5.381 50 10 JKGE Cc1cc([C@@H](Br)c2ccccc2OCc2ccccc2)sc1Br 309884246 YECWOVAYYYRZAJ-SFHVURJKSA-N 452.211 6.882 50 10 JKGE CCCCCCCC[C@H](Br)c1cc(I)cc2c1OCC2 312334546 JRQXJOAULXPFLY-INIZCTEOSA-N 451.186 6.413 50 10 JKGE FC(F)(F)COCC[C@H](Br)c1scc(C(F)(F)F)c1Br 380202449 FHIOMXXRDNFKPK-LURJTMIESA-N 450.036 5.934 50 10 JKGE COc1cc(C)c(Br)cc1[C@H](Br)c1ccccc1OCc1ccccc1 388526367 VSRQGXIEIJMKFP-JOCHJYFZSA-N 476.208 6.829 50 10 JKGE Cc1cc(Br)c(C(=O)NCCCCCCI)cc1Cl 389224472 XKLKQGGQOVMUHS-UHFFFAOYSA-N 458.565 5.136 50 10 JKGE Cc1ccc([C@@H](Br)c2cc(Cl)c(Cl)c(Cl)c2Cl)cc1Br 404650095 JHZFEBFNERDXAP-LLVKDONJSA-N 477.838 7.855 50 10 JKGE CN(C(=O)OC(C)(C)C)c1cccc([C@@H]2CCN(CCO[Si](C)(C)C(C)(C)C)CCO2)c1 616594816 SYPXZQYAPRRMSJ-QFIPXVFZSA-N 464.723 5.843 50 10 JKGE CC(C)(C)OC(=O)Nc1ccccc1[C@@H]1Cc2ccccc2N(CCO[Si](C)(C)C(C)(C)C)C1 616673648 WJJJEBFWUKXAJD-JOCHJYFZSA-N 482.741 7.202 50 10 JKGE CCCOc1ccc([C@@H](Br)c2nn(C)cc2Br)cc1Br 693044858 UAJULQJGCLGZGP-CYBMUJFWSA-N 466.999 5.218 50 10 JKGE CC1(C)CO[C@H](CC(CBr)(CBr)c2cccc(Br)c2)C1 708413334 GHQCRULMFHEUAJ-AWEZNQCLSA-N 469.055 5.682 50 10 JKGE CC[C@H](Oc1ccc2ccccc2c1Br)C(=O)NN=Cc1c(C)cc(C)cc1C 1083960245 OINCUUNHNWFIIU-NRFANRHFSA-N 453.380 5.835 50 10 JKGE C=CCOc1c(Br)cc(C=NNC(=O)[C@@H](C)Sc2ccc(Cl)cc2)cc1OC 1084038826 DCFZTMMPOSSWQR-CYBMUJFWSA-N 483.815 5.307 50 10 JKGE CCOc1cc(C=NNC(=O)C(=O)Nc2cccc(Cl)c2)ccc1OCc1ccc(Cl)cc1 1084271683 OIKYRQUJEJJAAZ-UHFFFAOYSA-N 486.355 5.060 50 10 JKGE CCOc1cc(/C=C(\C#N)C(=O)N(C)C)c(Br)cc1OCc1ccc2ccccc2c1 1084307204 FBTROERLDJABJZ-CIAFOILYSA-N 479.374 5.575 50 10 JKGE COc1cc(C=NNC(=O)c2cccc(Cl)c2)cc(Cl)c1OCc1ccccc1Cl 1084326940 SIQYJFYQEOIPNS-UHFFFAOYSA-N 463.748 5.998 50 10 JKGE O=C(NN=Cc1cccc(OCc2ccc(Cl)cc2Cl)c1)C(=O)Nc1ccccc1Cl 1084462095 SIIYQVSJHARJFA-UHFFFAOYSA-N 476.747 5.315 50 10 JKGE C=CCc1cc(/C=C(\C#N)C(=O)Nc2ccc(C)cc2)cc(OC)c1OCc1ccc(C(=O)O)cc1 1084647589 OGGTVEDIPXSVQA-BUVRLJJBSA-N 482.536 5.555 50 10 JKGE CCOc1cc(C=NNC(=O)CSc2cccc3ccccc23)ccc1OCc1ccc(F)cc1 1565518844 IUQCVWDCJJUUKJ-UHFFFAOYSA-N 488.584 6.199 50 10 JKGE O=C(OCc1ccccc1)N1C[C@@H](CBr)[C@H](c2ccccc2OC(F)(F)F)C1 1614620167 BYRCGSFXCATYLB-NVXWUHKLSA-N 458.274 5.332 50 10 JKGE CC(C)(C)CC(C)(C)c1ccc(OCC(=O)NN=Cc2ccc(I)o2)cc1 1772752572 SNXFUOQWZYGTHP-UHFFFAOYSA-N 482.362 5.127 50 10 JKGE N#CC1=C(N)Oc2c(c(C(F)(F)F)nn2Cc2c(F)cccc2Cl)[C@@H]1c1cccc2ccccc12 1865682203 ISDWNSZRAGZSJA-HXUWFJFHSA-N 498.867 6.114 50 10 JKGE COc1ccc(-c2nn(-c3ccccc3Cl)c3c2[C@H](c2cccc(Cl)c2)C(C#N)=C(N)O3)cc1 1865683366 KBKGRPHYYGLNPC-JOCHJYFZSA-N 489.362 6.073 50 10 JKGE Cc1nn(Cc2ccc(Cl)c(Cl)c2)c2c1[C@@H](c1c(Cl)cccc1Cl)C(C#N)=C(N)O2 1865686115 QVKMJLMYIRTGOG-SFHVURJKSA-N 480.182 6.072 50 10 JKGE CCCn1nc(C(F)(F)F)c2c1OC(N)=C(C#N)[C@H]2c1ccc(OCc2ccc(C)cc2)cc1 1865692237 DMDHLQWMMDLCPN-HXUWFJFHSA-N 468.479 5.418 50 10 JKGE Cc1ccccc1COc1ccc([C@@H]2C(C#N)=C(N)Oc3c2c(-c2ccccc2)nn3CC(C)C)cc1 1865703224 QLILKEUKBNGESW-HHHXNRCGSA-N 490.607 6.312 50 10 JKGE CCOc1cc([C@H]2C(C#N)=C(N)Oc3c2c(C)nn3CC)ccc1OCc1c(Cl)cccc1Cl 1865703635 XMPPFBWSKZIPRD-QHCPKHFHSA-N 499.398 5.714 50 10 JKGE Cc1nc(-c2ccc(Cl)c(Cl)c2)ccc1C(=O)NNC(=O)Cc1ccc(Br)cc1 1865759328 UPZSOKJHNKMTCA-UHFFFAOYSA-N 493.188 5.130 50 10 JKGE N#C/C(=C\c1cccc(Br)c1)C(=O)N1CCC(c2cccc(C(F)(F)F)c2)CC1 1866366654 OADWNWIAEACWAR-WOJGMQOQSA-N 463.297 5.781 50 10 JKGE N#CSc1ccc(Nc2cc(N3CCO[C@@H](c4ccccc4)C3)nc(-c3ccc(F)cc3)n2)cc1 1868456116 KMEHBCPQCPXNAM-XMMPIXPASA-N 483.572 6.177 50 10 JKGE CCc1ccc(OCCC/C(O)=C(\C#N)c2nc(-c3ccc(C)cc3C)cs2)c(Br)c1 1872748580 DBCRPUAJXBKCCH-ATJXCDBQSA-N 497.458 7.404 50 10 JKGE Cc1ccc(-c2csc(/C(C#N)=C(\O)CN3C(=O)COc4ccc(Cl)cc43)n2)c(C)c1 1872748724 KTKGDOWDJNQAMU-JZJYNLBNSA-N 451.935 5.299 50 10 JKGE N#C/C(=C(/O)[C@@H]1CC(=O)N(Cc2ccccc2)C1)c1nc(-c2ccc(Cl)c(Cl)c2)cs1 1872748967 VEXLGECXIZGGOI-ZESIPNTPSA-N 470.381 5.958 50 10 JKGE COC(=O)c1ccccc1N1C[C@@H](/C(O)=C(\C#N)c2nc(-c3cc(C)ccc3C)cs2)CC1=O 1872749925 OBCFCLRSYUXHKV-DJUDNFEDSA-N 473.554 5.059 50 10 JKGE CCCCc1ccc(N2C[C@H](/C(O)=C(\C#N)c3nc(-c4cc(C)ccc4C)cs3)CC2=O)cc1 1872750032 UFIBGPXRSBVHAI-LQUAGZSJSA-N 471.626 6.615 50 10 JKGE COc1cc(-c2csc(/C(C#N)=C(\O)[C@H](C)Oc3ccc(Cl)cc3)n2)c(OC)cc1Cl 1872756601 RJKJBKOLWGEDLT-SOFNNGJSSA-N 477.369 6.394 50 10 JKGE CCCCc1ccc(-c2csc(/C(C#N)=C/c3ccccc3OCc3ccccc3Cl)n2)cc1 1872781233 ZQLFBSCFSFQOBK-KOEQRZSOSA-N 485.052 8.449 50 10 JKGE COc1cc(/C=C(\C#N)c2nc(-c3ccc(C(C)(C)C)cc3)cs2)ccc1OCCc1ccccc1 1872792326 RXVVWHJBRKAOIM-XIEYBQDHSA-N 494.660 7.802 50 10 JKGE Cc1cc(Br)c([C@H](Cl)c2c(C)nsc2Br)cc1Br 1912975576 CFBWRUAMJGOQPY-NSHDSACASA-N 474.443 6.376 50 10 JKGE Cc1cc([C@H](Br)c2cc3c(cc2Br)OCC3)oc1Br 1917605419 YETSYJXPDYDSBS-CYBMUJFWSA-N 450.952 5.532 50 10 JKGE Cc1cc(Br)cc([C@@H](Cl)c2c(Br)sc(Br)c2Cl)c1 1923037784 FQZHBDNWQGZKJC-SECBINFHSA-N 493.873 7.326 50 10 JKGE O=S1(=O)CCC[C@@H]([C@@H](Cl)c2c(Br)sc(Br)c2Cl)C1 1923049115 KVZVSDZSYQNCEI-IYSWYEEDSA-N 457.036 5.031 50 10 JKGE COc1ccc([C@@H](Br)c2c(Br)sc(Br)c2Cl)s1 1923070596 CRMSQIPSAHPMDL-SSDOTTSWSA-N 481.456 6.481 50 10 JKGE Cl[C@@H](c1ccc2ccccc2c1)c1c(Br)sc(Br)c1Br 1924599249 DSLINWPOYKXJRE-ZDUSSCGKSA-N 495.461 7.517 50 10 JKGE Cc1ccc(F)c([C@@H](Cl)c2c(Br)sc(Br)c2Br)c1F 1924600084 ODUDXVQXPNZKFG-SECBINFHSA-N 495.408 6.950 50 10 JKGE C[C@@H]1OCCO[C@H]1[C@H](Cl)c1c(Br)sc(Br)c1Br 1924615362 ZSQQAXHPZVWMLO-MNWLTOSCSA-N 469.420 5.119 50 10 JKGE Cc1sc(Br)cc1[C@H](Br)c1c(Br)sc(C)c1C 1951014437 JIGFNFJLXGAUCX-NSHDSACASA-N 459.066 6.744 50 10 JKGE CC(C)(CCCl)c1c(Br)c(Br)cc(Br)c1Br 1995048080 NCAXPYQTXCPIIH-UHFFFAOYSA-N 498.278 6.643 50 10 JKGE Cl[C@@H](c1cc(Br)c2c(c1)CCO2)c1sccc1I 2030026816 WXUUFZATPIQOIT-NSHDSACASA-N 455.542 5.378 50 10 JKGE CC[C@H](Br)c1cn(-c2ccc(Cl)c(I)c2Cl)nn1 2032957445 YQRUGDRTPAOGFM-LURJTMIESA-N 460.928 5.025 50 10 JKGE Cl[C@@H](c1cccc(I)c1)c1cc(C2CC2)c(Br)s1 2033631744 GNXSSNFRWIMULK-ZDUSSCGKSA-N 453.570 6.321 50 10 JKGE CN(c1cccc(Br)c1CBr)[C@@H]1CN(Cc2ccccc2)C(C)(C)C1 2037332229 OZAXXULRVDNXKP-KRWDZBQOSA-N 466.261 5.833 50 10 JKGE Fc1cc(Cl)c(Br)cc1[C@H](Br)c1cc(Cl)c(Cl)s1 2038472221 UVEDGLIHRJPMIF-JTQLQIEISA-N 453.385 7.094 50 10 JKGE Cc1c(C=C(C#N)S(=O)(=O)c2ccc(Cl)cc2)c2ccccn2c1C(=O)c1ccc(F)cc1 2040461457 QYSCXSVYVINWPB-UHFFFAOYSA-N 478.932 5.610 50 10 JKGE Clc1c(Br)sc(Br)c1[C@H](Br)[C@@H]1CCCC12CCC2 2053378679 SKABSIRMNYMERZ-IONNQARKSA-N 477.487 7.333 50 10 JKGE Cl[C@H](c1c(Br)sc(Br)c1Br)[C@H]1C[C@@H]2CCC[C@@H]2C1 2063506772 BLAXPQVKJWVJEX-PJFCORBGSA-N 477.487 7.142 50 10 JKGE Cc1cc(Br)c(C)c([C@H](Br)[C@@H](F)C(F)(F)F)c1Br 2081072715 XIQWRBLSTGPRCA-VHSXEESVSA-N 456.897 6.165 50 10 JKGE Cc1cc(Cl)c(Br)cc1[C@H](Br)c1ccccc1Br 2082377541 RSFCTPFXQLXQCJ-CQSZACIVSA-N 453.399 6.658 50 10 JKGE Fc1ccc(C[C@@H](Br)c2ccc(Br)cc2I)cc1 2086145122 IYAYWUCTUJLAJQ-CYBMUJFWSA-N 483.944 5.872 50 10 JKGE CCn1ncc(Br)c1C[C@@H](CBr)c1ccc(Br)cc1 2094300551 ZGPNZDFYBHQLOI-NSHDSACASA-N 451.000 5.149 50 10 JKGE BrCc1ccc(Br)cc1N1CCC[C@@]2(CCN(Cc3ccccc3)C2)C1 2107014851 LFJRDVOCUIBVFW-QFIPXVFZSA-N 478.272 5.837 50 10 JKGE Cc1ccccc1C(CBr)(CBr)Cc1cnsc1Br 2119234458 PYJZOODDSQRRMD-UHFFFAOYSA-N 468.052 5.484 50 10 JKGE O=C(c1cc(Br)c(Br)s1)N1[C@H]2CC[C@@H]1C[C@H](CBr)C2 2128149570 KSVZKZFLTTZERZ-AYMMMOKOSA-N 472.040 5.051 50 10 JKGE Cc1c(Br)ccc([C@@H](Br)c2ccc([N+](=O)[O-])o2)c1Br 2138854932 VHXSWCLZENJPCL-GFCCVEGCSA-N 453.912 5.506 50 10 JKGE Brc1cc([C@@H](Br)c2ccc(-c3cccs3)s2)c(Br)s1 2140972479 CBBDQDCZLZEZMI-GFCCVEGCSA-N 499.112 7.547 50 10 JKGE COc1ccc([C@@H](Cl)c2ccc(Br)cc2I)cc1F 2142286637 GCRHEPFDIRISAN-CQSZACIVSA-N 455.492 5.530 50 10 JKGE CN(Cc1ccc(I)c(Cl)c1)[C@@H]1CCCCC[C@@H]1Br 2142942212 BHVMPYGJCPEVSV-SWLSCSKDSA-N 456.593 5.473 50 10 JKGE Cc1c(Br)cccc1CC(CBr)(CBr)c1ccccc1 2143683951 CIXCZEKEMGFLSF-UHFFFAOYSA-N 461.035 6.028 50 10 JKGE Brc1cccc([C@H](Br)Cc2nc3ccccc3s2)c1Br 2148762655 XUZRHEMAQQDNGZ-LLVKDONJSA-N 476.031 6.500 50 10 JKGE FC(F)(F)c1cc(Br)ccc1[C@H](Cl)c1sc(Cl)cc1Br 2154479111 PEXGYBKPTOWEDZ-JTQLQIEISA-N 468.947 7.274 50 10 JKGE COc1c(C)cc(Br)c(C)c1[C@H](Br)c1cc(Cl)c(Cl)s1 2156050085 KQZNGPAAOJGCEP-GFCCVEGCSA-N 459.030 6.927 50 10 JKGE COc1cc(Br)c(C)cc1[C@H](Br)c1c(Br)sc(C)c1C 2157254833 LVXJXIBUOQJJPX-AWEZNQCLSA-N 483.063 6.691 50 10 JKGE Cc1ccc([C@H](Cl)c2c(C)c(Br)cc(C)c2Br)c(Br)c1 2201078936 PWUANRZTVPAOST-INIZCTEOSA-N 481.453 7.228 50 10 JKGE CC(F)(F)CCCCC(CBr)(CBr)c1ccc(Br)cc1 2201504196 ANABHXVSLYFRGO-UHFFFAOYSA-N 477.025 6.692 50 10 JKGE Cc1cc(Cl)c(Br)cc1[C@@H](Br)Cc1ccc(Br)cc1F 2202358064 YMLAXYYDPRKJMJ-LBPRGKRZSA-N 485.416 6.991 50 10 JKGE Cc1c(Br)sc([C@@H](Br)c2cccc(I)c2)c1C 2213618175 DTMQYGJKNVNHDR-NSHDSACASA-N 486.010 6.216 50 10 JKGE CCn1cc(Br)c([C@H](Br)c2sc(Br)c(C)c2C)n1 2218792087 VSLBYTFUMFFQCT-VIFPVBQESA-N 457.029 5.591 50 10 JKGE Cc1cc([C@@H](Br)c2c(Br)cc(Cl)c(Cl)c2Cl)sc1C 2224303055 RMBJTHGVXIXUTA-LLVKDONJSA-N 463.449 7.572 50 10 JKGE CC[C@]1([C@H](Br)c2c(Br)cc(Cl)c(Cl)c2Cl)CC1(F)F 2224321642 MLDJXNARPWXPAN-GHMZBOCLSA-N 457.367 7.281 50 10 JKGE C[C@]1([C@@H](Br)c2cc(Br)c(Br)cc2F)C[C@@H]1C(F)(F)F 2225615658 KEEUCBNEHAGFCW-DCAQKATOSA-N 468.908 6.375 50 10 JKGE CCOC1CC(C[C@@H](Br)c2cc(Br)c(Br)cc2F)C1 2225615884 AJBCUNJKNZUVNM-NWGYLPEXSA-N 458.991 5.992 50 10 JKGE C[C@H]1C[C@@H]([C@@H](Br)c2cc(Br)c(Br)cc2F)C[C@@H](C)O1 2225634210 NLIBKXFQGMTBIG-LVAGBLAWSA-N 458.991 5.990 50 10 JKGE CC1(C)CCC[C@H]([C@@H](Br)c2c(Br)cc(Cl)c(Cl)c2Cl)C1 2232510832 IFNWSUFLTZFWNX-QPUJVOFHSA-N 463.468 8.062 50 10 JKGE Fc1c(Br)cccc1[C@H](Cl)c1c(Br)cc(Cl)c(Cl)c1Cl 2232513858 SITIDEULKXQYOR-JTQLQIEISA-N 481.801 7.639 50 10 JKGE O=[N+]([O-])c1ccc(C[C@@H](Br)c2scc(Br)c2Br)c(F)c1 2237448633 NSQVVNTVGOIVFO-MRVPVSSYSA-N 487.970 5.999 50 10 JKGE BrC[C@@H]1C[C@H]2CCCC[C@@H]2N1Cc1cc(Br)ccc1Br 2240678828 DJDLSZLHJUYRLF-WPGHFRTFSA-N 466.055 5.740 50 10 JKGE Clc1cc([C@H](Cl)Cc2cc(Br)cc(Br)c2)sc1Br 2263451431 XNRSXLHQKACDFE-SECBINFHSA-N 493.873 7.212 50 10 JKGE Cc1c(Br)ccc([C@@H](Br)C2(C)CC(C(F)(F)F)C2)c1Br 2279199236 XNNFNDUNDALUKD-ATVVMRJVSA-N 478.972 6.935 50 10 JKGE Fc1cc([C@@H](Cl)c2cc(C3CC3)c(Br)s2)c(Cl)cc1Br 2282906453 BTVGRHCSQOHFON-CYBMUJFWSA-N 459.005 7.271 50 10 JKGE Cc1cc(Br)c([C@H](Br)c2cccc(Cl)c2Br)c(C)c1F 2283201506 DYCFZZZSHCQGPP-CQSZACIVSA-N 485.416 7.105 50 10 JKGE COc1ccc([C@H](Br)c2ccc(Cl)cc2OC)cc1I 2285011720 RCTOQEQNYIEEAB-HNNXBMFYSA-N 467.528 5.446 50 10 JKGE COc1c(C)cc(C)cc1[C@H](Br)c1ccc(I)c(Cl)c1 2295301618 NYIAQYVCMPFEDI-OAHLLOKOSA-N 465.556 6.054 50 10 JKGE CC(C)C[C@@H]1C[C@H]1[C@@H](Br)c1ccc(OCc2ccccc2)cc1Br 2299487974 BPXDAQHHKYVUOC-BSIFCXSSSA-N 452.230 7.146 50 10 JKGE N#CC(=Cc1cn(Cc2ccc(Cl)c(Cl)c2)c2ccccc12)C(=O)NCc1ccccc1 2313541288 XXHREGKVKAERQR-UHFFFAOYSA-N 460.364 6.220 50 10 JKGE C=CCOc1c(Cl)cc(C=C(C#N)C(=O)Nc2cccc(Cl)c2Cl)cc1OCC 2313571046 MADVCLWNRFSDBT-UHFFFAOYSA-N 451.737 6.156 50 10 JKGE N#CC(=Cc1cn(Cc2ccccc2F)c2ccccc12)C(=O)Nc1sc2c(c1C#N)CCCC2 2313630969 XOUMAYSHMSRQKU-UHFFFAOYSA-N 480.568 6.186 50 10 JKGE CCOc1cc(C=C(C#N)C(=O)Nc2ccc(Cl)c(Cl)c2)ccc1OCc1ccccc1F 2313631888 YBJJXZXWLJRVIA-UHFFFAOYSA-N 485.342 6.656 50 10 JKGE CCc1ccc(NC(=O)C(C#N)=Cc2cc(Br)ccc2OCc2ccccc2Cl)cc1 2313670510 BLLBMRPIFRZDTB-UHFFFAOYSA-N 495.804 6.790 50 10 JKGE N#CC(=C(O)[C@H]1CCC(=O)N1C(=O)c1ccc(Cl)cc1)c1nc2cc(C(F)(F)F)ccc2s1 2314479413 VFXFIAALJVKTHL-MRXNPFEDSA-N 491.878 5.593 50 10 JKGE CC(C)(C)c1ccc(C=CC(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@H]3c2cccc(Cl)c2)cc1 2314634122 OBABQLMKAVSABK-MHZLTWQESA-N 484.983 6.474 50 10 JKGE CCOc1ccc(C=C(C#N)C(=O)Oc2ccc(C(=O)Nc3ccc(C)cc3)cc2)cc1OC 2314736061 RDYNHHLIZRITGD-UHFFFAOYSA-N 456.498 5.167 50 10 JKGE Clc1cc(CBr)cc(Cl)c1OCc1sccc1I 2316754449 IOTCSDZPZQQRCL-UHFFFAOYSA-N 477.976 6.133 50 10 JKGE CCN(CCC1(c2ccccc2)CCCC1)C(=O)C(C#N)=Cc1cccc(Br)c1 2324522239 JMCDURGIGVUYIO-UHFFFAOYSA-N 451.408 6.107 50 10 JKGE BrCC[C@@H]1CCCCN1Cc1ccc(I)c(Br)c1 2325224384 WTILINFVZSFPMT-LBPRGKRZSA-N 487.017 5.193 50 10 JKGE N#CC(=Cc1ccc(F)cc1)C(=O)Nc1cccc(Nc2ncnc3ccc(Br)cc23)c1 2329638858 LOOBQAHWJBZHON-UHFFFAOYSA-N 488.320 5.821 50 10 JKGE CCOC(=O)c1c(-c2ccc([N+](=O)[O-])cc2)csc1NC(=O)C(C#N)=Cc1cccc(Cl)c1 2329687353 YDRXBLAUIJLYOV-UHFFFAOYSA-N 481.917 5.699 50 10 JKGE COc1cc(C=CC(O)=C(C#N)c2nc(-c3ccc(-c4ccccc4)cc3)cs2)cc(OC)c1OC 2331231835 IUBOUUDNZCFBGI-UHFFFAOYSA-N 496.588 7.009 50 10 JKGE CCc1ccc(-c2csc(C(C#N)=C(O)[C@@H]3CC(=O)N(c4c(C)cccc4CC)C3)n2)cc1 2331245637 FCIFTDDQRVMVNH-OAQYLSRUSA-N 457.599 6.089 50 10 JKGE COc1ccc(-c2csc(C(C#N)=C(O)[C@@H](C)Oc3ccc(Cl)cc3Br)n2)cc1 2331273600 TYNHRTMZWDRMAJ-GFCCVEGCSA-N 491.794 6.495 50 10 JKGE CC(C)(C)c1csc(C(C#N)=C(O)CCCN2C(=O)c3ccc(Br)cc3C2=O)n1 2331308308 UAIITNFNKYZBCA-UHFFFAOYSA-N 474.380 5.072 50 10 JKGE CC(C)(C)c1ccc(C(=O)NCC(O)=C(C#N)c2nc(-c3ccc4c(c3)OCO4)cs2)cc1 2331333960 QZUPVIMNWMZRDO-UHFFFAOYSA-N 461.543 5.059 50 10 JKGE COc1ccc(C=CC(O)=C(C#N)c2nc(-c3cc(C)c(Cl)cc3OC)cs2)c(OC)c1 2331390637 WHDOJFSYJXVHOL-UHFFFAOYSA-N 468.962 6.304 50 10 JKGE COc1ccc(Cl)cc1-c1csc(C(C#N)=C(O)c2ccccc2I)n1 2331411967 XASFFJWMWOXZDG-UHFFFAOYSA-N 494.741 6.027 50 10 JKGE COc1cc(C=C(C#N)c2nc(-c3ccc(Oc4ccccc4)cc3)cs2)ccc1OC(C)C 2331464424 MYSFBNHFZKPZAK-UHFFFAOYSA-N 468.578 7.462 50 10 JKGE Clc1c(Br)sc(Br)c1[C@@H](Br)[C@@H]1C[C@H]1C1CCOCC1 2332687311 NZKHQRUMRCPWJD-XKSSXDPKSA-N 493.486 6.425 50 10 JKGE CC(C=CC1=C(C)CCCC1(C)C)=CC[P+](c1ccccc1)(c1ccccc1)c1ccccc1 2333115245 UJUZVVSRNMBGRO-UHFFFAOYSA-N 465.641 8.010 50 10 JKGE Cc1cc(Br)c([C@H](Br)[C@H]2[C@@H]3CCCO[C@@H]32)c(C)c1Br 2333708352 HIWVBZVDQVTFRI-WRESQXIRSA-N 453.012 5.689 50 10 JKGE C[C@@H]1CC[C@@H](C[C@H](Br)c2c(Cl)cc(Br)c(F)c2Br)O1 2337093580 GTKUPMWRYWUSIL-CSMHCCOUSA-N 479.409 6.398 50 10 JKGE COc1c(Br)cc(C)c([C@@H](Br)C[C@@H]2CC2(C)C)c1Br 2339640485 ZBECKKLIPMAMJJ-ZJUUUORDSA-N 455.028 6.401 50 10 JKGE BrC[C@@H](OCc1cc(I)ccc1Br)c1ccccc1 2341838088 NZKPPEBSHIGJNY-OAHLLOKOSA-N 495.980 5.707 50 10 JKGE C[C@H](c1ccncc1F)[C@H](Br)c1ccc(Br)cc1I 2344707815 AVMRKEMAWVOEMX-CLAHSXSESA-N 498.959 5.828 50 10 JKGE Brc1ccc(OCc2ccccc2)c([C@H](Br)[C@@H]2CC3(CCCCC3)CO2)c1 2361195617 QPWQLMHTOFOFJA-VXKWHMMOSA-N 494.267 7.204 50 10 JKGE Cc1c(Br)sc([C@@H](Cl)C23COC(C(F)(F)F)(C2)C3)c1Br 2363911724 YCHVPVDCRONVOF-MFAVDMRSSA-N 454.533 5.973 50 10 JKGE CC1CCC2(CC1)[C@@H](Cl)C[C@H]2Oc1cc(Br)cc(I)c1 2364105970 GGBWXRAJJHDTBA-HUJAQRGZSA-N 469.588 6.009 50 10 JKGE Cc1cc(Br)cc([C@@H](Cl)c2c(C)cc(Br)c(F)c2Br)c1 2365187603 BUPMEURMGURPIP-CQSZACIVSA-N 485.416 7.058 50 10 JKGE COc1c(Br)cc(C)c([C@H](Br)[C@H]2C[C@@H]2C(C)(F)F)c1Br 2365192368 BPYCFBHOWAHEST-DKCNOQQISA-N 476.981 6.256 50 10 JKGE COC[C@@]1([C@@H](Br)c2c(C)cc(Br)c(F)c2Br)CCCO1 2365221111 PUNBZUQSTIGYJJ-UONOGXRCSA-N 474.990 5.291 50 10 JKGE Cc1nn(Cc2ccccc2Cl)c(C)c1/C=C(\C#N)C(=O)Nc1cccc(Cl)c1Cl 28911963 QAXHBXJEKPWUPD-MHWRWJLKSA-N 459.764 6.054 50 10 JKGE Cc1ccc2[nH]c(/C(C#N)=C/c3cc(Br)ccc3OCc3ccc(C(=O)O)cc3)nc2c1 33472769 SFNHJPCKZXQZOP-YBFXNURJSA-N 488.341 5.975 50 10 JKGE Cc1cccc(OCC(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@H]3c2ccc(C(C)(C)C)cc2)c1C 38649832 UQKKNVSWZUECEZ-NDEPHWFRSA-N 482.580 5.804 50 10 JKGE CCc1ccc2oc(C(=O)Oc3ccc4c(c3)OC(N)=C(C#N)[C@H]4c3ccc(C)o3)c(C)c2c1 38688688 IRUXKFRKNNQHND-DEOSSOPVSA-N 454.482 5.642 50 10 JKGE COc1ccc(C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@H]3c2cccc(OCCC(C)C)c2)cc1 40529973 YDHHLIMRZDHGPH-MHZLTWQESA-N 484.552 5.557 50 10 JKGE Cc1c(C(=O)Nc2ccc(Cl)cc2)oc2c1/C(=N/NC(=O)c1ccc(-c3ccccc3)cc1)CCC2 40822750 AVPGBUUVTRJJPT-FEZSWGLMSA-N 497.982 6.631 50 10 JKGE CC(C)(C)c1cc(/C=N/NC(=O)COc2ccc(C3CCCCC3)cc2)cc(C(C)(C)C)c1O 59146780 BOSUHQSAUMQULO-UXHLAJHPSA-N 464.650 6.564 50 10 JKGE O=C(N/N=C/c1cc(Br)c(Sc2ccc(Cl)cc2)o1)Nc1ccccc1 59302375 ZLTLKIRJJLSRJO-SRZZPIQSSA-N 450.745 6.002 50 10 JKGE Cc1cc(C)c(/C(CSc2nc3ccccc3o2)=N\NC(=O)c2cccc(Cl)c2)cc1C 59460694 OWWCKMBZIPERNI-SLMZUGIISA-N 463.990 6.333 50 10 JKGE Cc1cccc(C(=O)N/N=C\c2cc(Br)ccc2OC(=O)/C=C\c2ccccc2)c1 59500456 XXIPYJMRYOMKSF-XPIRCIOWSA-N 463.331 5.140 50 10 JKGE CC1=C(C#N)C(=O)N(Cc2ccccc2)C(=O)/C1=C/c1ccc(OCc2ccccc2Cl)cc1 101335165 KBJMDFVCDPZFML-BUVRLJJBSA-N 468.940 5.711 50 10 JKGE CCOC(=O)c1c(N/C=C(\C#N)c2nc(-c3ccc(Cl)cc3)cs2)sc2c1CCCC2 102460525 WUESHSCOJWYJNK-NTCAYCPXSA-N 470.019 6.557 50 10 JKGE Fc1cc(Cl)ccc1[C@@H](Br)c1cc(Br)ccc1Br 109844566 PIEDMESSACJYRD-CYBMUJFWSA-N 457.362 6.488 50 10 JKGE COc1cc(Br)c([C@H](Br)c2cccc(Br)c2)cc1OC 109860423 NMJYBTIZVWIZNX-OAHLLOKOSA-N 464.979 5.713 50 10 JKGE Cc1cc(Br)c([C@@H](Br)c2ccc(I)cc2)s1 114542703 ZQVAQADGDQKBEI-NSHDSACASA-N 471.983 5.908 50 10 JKGE COc1cc([C@H](Br)c2ccc(Cl)c(Cl)c2)c(OC)cc1Br 134301258 QCEQQOCOJXKLLF-OAHLLOKOSA-N 454.973 6.257 50 10 JKGE CCOC(=O)/C(C#N)=C\c1cccc(OC(=O)/C=C/c2ccc(OCc3ccccc3C)c(OC)c2)c1 206692099 XVNXBMAFIPPIMW-ZFLWMIPNSA-N 497.547 5.672 50 10 JKGE CCOc1ccc([C@@H](Br)c2cc(Br)ccc2C)cc1Br 228992960 CXMVCQQMOGYOJZ-MRXNPFEDSA-N 463.007 6.403 50 10 JKGE C[C@H]1CC[C@@H](CC(CBr)(CBr)c2ccccc2Br)O1 232063469 UOMCNUMGINUONG-RYUDHWBXSA-N 455.028 5.434 50 10 JKGE Cc1cc(F)c([C@@H](Br)c2ccc(I)c(Cl)c2)cc1F 232344612 ZDDGHISUSXPVIJ-AWEZNQCLSA-N 457.483 6.016 50 10 JKGE COc1cc(F)c(Br)cc1[C@@H](Br)c1ccc(Br)c(F)c1 234864004 IAYBSHUITLCPGW-AWEZNQCLSA-N 470.933 5.983 50 10 JKGE CCOc1cc(C=NNC(=O)c2cc(-c3cccc(OC(C)C)c3)nc3ccccc23)ccc1O 252601019 DWXCXTWMDOZPKX-UHFFFAOYSA-N 469.541 5.557 50 10 JKGE C[C@]12CC[C@@H]3[C@H](CC=C4C[C@H](OC(=O)/C=C/c5ccccc5)CC[C@@]43C)[C@H]1CC/C2=N/NC(N)=O 253570354 NMEUWUBEWUDIDC-KOEWZYCKSA-N 475.633 5.599 50 10 JKGE O=C(NN=Cc1c(-c2ccccc2)[nH]c2ccccc12)c1ccccc1OCc1ccc(F)cc1 254741303 WWLRJTHCCVBCKL-UHFFFAOYSA-N 463.512 6.317 50 10 JKGE O=C(COc1ccc(OCc2ccccc2)cc1)NN=Cc1cccc(Oc2ccccc2)c1 254752227 LFHLRNVLNMQZRC-UHFFFAOYSA-N 452.510 5.587 50 10 JKGE C[C@H](CCCl)CCOc1c(I)cc(Cl)cc1I 310403525 JWFDYLBCJUBCOD-MRVPVSSYSA-N 498.957 5.583 50 10 JKGE C[C@H]1CCC[C@@H](COc2c(Br)cc(CBr)cc2Br)C1 311448687 IQBXOSZQPVBPTD-WDEREUQCSA-N 455.028 6.312 50 10 JKGE Brc1cc2c(c([C@H](Br)c3cccc(OCc4ccccc4)c3)c1)OCC2 311930930 GIEPHLBYJBORCF-OAQYLSRUSA-N 474.192 6.447 50 10 JKGE Clc1ccc(-c2c(Cl)c(Cl)c(Cl)c(Cl)c2Cl)c(CBr)c1 514252658 JCQIDXWTDOFKST-UHFFFAOYSA-N 453.805 8.169 50 10 JKGE CC(C)(C)[Si](C)(C)OCc1ccc([C@H]2CCOCCN2S(=O)(=O)c2ccccc2)cc1 616599699 UYLNQSLKOBKARK-HSZRJFAPSA-N 461.700 5.361 50 10 JKGE COCc1cc(Br)c([C@@H](Br)Cc2ccc(Br)cc2)s1 688144194 IUIHKPKCQYCEQI-LBPRGKRZSA-N 469.036 6.098 50 10 JKGE BrCC(CBr)(C[C@@H]1CCCOC1)c1cccc(Br)c1 690356108 TZURZMCKCBQXKI-LBPRGKRZSA-N 455.028 5.293 50 10 JKGE Brc1ccc(Br)c([C@@H](Br)c2cc3cscc3s2)c1 694343213 PYEIOJCUBSORAC-CYBMUJFWSA-N 467.045 6.972 50 10 JKGE BrCC(CBr)(Cc1ccns1)c1ccccc1Br 694584135 ZPNOHORFICTWLV-UHFFFAOYSA-N 454.025 5.176 50 10 JKGE Fc1ccc(CC(CBr)(CBr)C2CCOCC2)cc1Br 699944872 BRNUBZVKNJVPKJ-UHFFFAOYSA-N 473.018 5.334 50 10 JKGE Cc1ccc([C@@H](Br)c2scc(Br)c2Br)c2ccccc12 705448037 ODTCQTXFXHWWDN-CQSZACIVSA-N 475.043 7.219 50 10 JKGE Brc1csc([C@H](Br)Cc2nc3ccccc3s2)c1Br 705465045 PTFGOFRXEOGMPL-SSDOTTSWSA-N 482.060 6.562 50 10 JKGE O=C(c1cc(Br)cc(Br)c1)N(CCBr)c1ccccc1 714534422 OPNMOTJSKXTUKV-UHFFFAOYSA-N 461.979 5.253 50 10 JKGE Fc1cccc([C@@H](Cl)c2cc(Cl)c(Br)s2)c1I 721670959 AXYJSNSTVNAIBU-SECBINFHSA-N 465.940 6.236 50 10 JKGE Fc1cccc([C@@H](Cl)c2cc(Br)cc3c2OCC3)c1I 721699475 XTIZFTYIXUFPEK-CYBMUJFWSA-N 467.503 5.456 50 10 JKGE COc1cc(NC(=O)/C(C#N)=C\c2ccc(-c3ccc(Br)c(C)c3C)o2)ccc1Cl 1083981477 XQOKWZJOJOCIIZ-GDNBJRDFSA-N 485.765 6.534 50 10 JKGE CCOc1cc(C=NNC(=O)c2cc3cc(Br)ccc3o2)cc(Br)c1OC 1084025913 XTAVTJGUBHEMHD-UHFFFAOYSA-N 496.155 5.129 50 10 JKGE COc1cc(/C=C(\C#N)C(=O)Nc2ccc(C)cc2C)cc(Br)c1OCc1ccccc1 1084149887 CERDSTBJXLQPLO-CIAFOILYSA-N 491.385 6.199 50 10 JKGE O=C(NN=Cc1cccc(OCc2ccccc2Cl)c1)C(c1ccccc1)c1ccccc1 1084428774 FAECWIWBRLLAFF-UHFFFAOYSA-N 454.957 6.201 50 10 JKGE Cc1cc(C)cc(-n2c(C)c(Br)c(C=NNC(=O)[C@@H](C)SCc3ccccc3)c2C)c1 1084514939 AJXFEYAVLBOOMG-HXUWFJFHSA-N 498.490 6.245 50 10 JKGE O=C(Nc1ccccc1C(=O)NN=Cc1cccc(OCc2ccccc2Cl)c1)c1ccco1 1084574506 XNDDIIGVBXGKIN-UHFFFAOYSA-N 473.916 5.528 50 10 JKGE CC(C)(C)c1cc(C=NNC(=O)COc2ccc(C3CCCCC3)cc2)cc(C(C)(C)C)c1O 1084582767 BOSUHQSAUMQULO-UHFFFAOYSA-N 464.650 6.564 50 10 JKGE O=C(OCc1ccccc1)N1C[C@H](CBr)[C@H](c2ccc(C(F)(F)F)cc2F)C1 1614626452 IGAQFDULRVUIGP-WMLDXEAASA-N 460.265 5.592 50 10 JKGE ClCc1cc(-c2ccc(I)cc2)nn1-c1cc(Cl)ccc1Cl 1614816864 AFECRYBBZPGZKG-UHFFFAOYSA-N 463.533 6.190 50 10 JKGE Cc1ccc2cccc(OC(=O)c3oc4c(c3C)C(=NNC(=O)c3ccc(Cl)cc3)CCC4)c2n1 1772743614 GOGRPFMYHDXWIZ-UHFFFAOYSA-N 487.943 5.788 50 10 JKGE COc1ccc(C(=O)NN=C2CCCc3oc(C(=O)Oc4cc(C)ccc4C(C)C)c(C)c32)cc1 1772746542 WIWVGAGLNJOFEG-UHFFFAOYSA-N 474.557 5.718 50 10 JKGE Cc1c(C(=O)Nc2ccccc2)oc2c1C(=NNC(=O)COc1ccc(Cl)cc1Cl)CCC2 1772749105 HKTUXNXQJWNVAO-UHFFFAOYSA-N 486.355 5.383 50 10 JKGE Cc1cc(OCC(=O)NN=Cc2ccc(OCc3ccccc3Cl)cc2)cc(C)c1Cl 1772754742 SAEJRSVXZCWISO-UHFFFAOYSA-N 457.357 5.718 50 10 JKGE CCCOc1ccc(C=NNC(=O)COc2ccc(-c3ccccc3)cc2Br)cc1OC 1772754827 XMAINTIOYURUPV-UHFFFAOYSA-N 497.389 5.443 50 10 JKGE CC(C)c1ccc(/C=C/C(=O)NCc2ccc(OC(=O)Nc3ccc(SC#N)cc3)cc2)cc1 1858904751 DIKYRMBNUUGZRT-FRKPEAEDSA-N 471.582 6.324 50 10 JKGE CCCCOc1ccc([C@@H]2C(C#N)=C(N)Oc3c2c(C(F)(F)F)nn3Cc2cc(C)ccc2C)cc1 1865690664 YHXXNTUWNLHTDR-JOCHJYFZSA-N 496.533 5.964 50 10 JKGE Cc1ccccc1[C@H]1C(C#N)=C(N)Oc2c1c(C(F)(F)F)nn2Cc1c(F)cccc1Cl 1865712492 AAADMRVGKOKMDC-KRWDZBQOSA-N 462.834 5.269 50 10 JKGE Cc1nc(-c2ccc(Cl)c(Cl)c2)ccc1C(=O)N/N=C\c1ccccc1C(F)(F)F 1865762709 YNIHJWRTXCNKNZ-BCHBDCPOSA-N 452.263 6.147 50 10 JKGE CCCC[C@H](NC(=O)/C=C(\CC)c1ccc(OC)cc1)C(=O)Nc1ccc(SC#N)cc1 1866687715 MENCZUAYQUJALV-NGIFANIDSA-N 451.592 5.375 50 10 JKGE CCc1nc(Nc2ccc(SC#N)cc2)cc(N2CCC[C@@H]2Cc2ccc(Br)cc2)n1 1868278148 UJCYJHZDSZEDOQ-HXUWFJFHSA-N 494.462 6.330 50 10 JKGE CCOc1cc(/C=C(\C#N)c2nc3ccccc3n2C)ccc1OCc1c(Cl)cccc1Cl 1872726808 MWRQNJCXXPGLEK-QGOAFFKASA-N 478.379 6.922 50 10 JKGE COc1cccc(/C=C(\C#N)c2ccc(C(=O)OC(C)C)o2)c1OCc1ccc(Cl)c(Cl)c1 1872728578 KDXLTPDFJWVNEU-LDADJPATSA-N 486.351 6.803 50 10 JKGE CCCCOc1ccc(/C(O)=C(\C#N)c2nc(-c3cccc(OC)c3)cs2)cc1OCC 1872744294 LHXOYMIPHMCMIM-GFMRDNFCSA-N 450.560 6.346 50 10 JKGE Cc1ccc(S(=O)(=O)NC/C(O)=C(\C#N)c2nc(-c3ccc(C(C)C)cc3)cs2)cc1 1872751952 ITOSABNQFUOKTO-XDOYNYLZSA-N 453.589 5.013 50 10 JKGE N#C/C(=C(/O)c1ccccc1C(=O)c1ccccc1)c1nc(-c2ccc3c(c2)OCO3)cs1 1872752744 QHWNSVJWGSCLRP-QQTULTPQSA-N 452.491 5.720 50 10 JKGE COc1ccc(-c2csc(/C(C#N)=C(\O)COc3c(C)ccc(C)c3C)n2)c2ccccc12 1872758869 UUYVIUQBALITJV-GYHWCHFESA-N 456.567 6.769 50 10 JKGE COc1ccc(OC)c(-c2csc(/C(C#N)=C/c3ccc(OCCc4ccccc4)c(OC)c3)n2)c1 1872791538 LDMQHJBBVQWBHL-PXLXIMEGSA-N 498.604 6.522 50 10 JKGE COc1c(C)cc(C)cc1-c1csc(/C(C#N)=C/c2ccc(OCc3ccccc3)cc2)n1 1872792868 VNGDTIXEOAVBCZ-HZHRSRAPSA-N 452.579 7.079 50 10 JKGE FC1(F)CC[C@H](Br)[C@@H](Cc2cccc(Br)c2Br)CC1 1881848602 DYVYKPVSYMPUDN-KOLCDFICSA-N 460.982 6.343 50 10 JKGE CCOc1cc(CBr)cc(Br)c1OC[C@H]1C[C@@H](Br)C1 1887912858 UNOJBVLDMXZBSN-PHIMTYICSA-N 457.000 5.295 50 10 JKGE C[C@@H](CBr)N(Cc1ccccc1)Cc1ccc(Cl)cc1I 1889652578 UAJGYBWKFQBZJH-ZDUSSCGKSA-N 478.599 5.730 50 10 JKGE C[C@H](Cl)c1nc2c(Br)cc(F)cc2n1C[C@H]1CCCN1Cc1ccccc1 1912668376 FYFFEOWNCHSAFH-WMLDXEAASA-N 450.783 5.902 50 10 JKGE Cc1cc([C@H](Br)c2cc3c(cc2Br)NC(=O)C3)oc1Br 1917612088 ITWOTOOQCFAANB-CYBMUJFWSA-N 463.951 5.092 50 10 JKGE C[C@H](c1ccccc1)[C@H](Br)c1c(Br)sc(Br)c1Cl 1923038931 LOGLVQLGLBBBTC-XCBNKYQSSA-N 473.455 7.166 50 10 JKGE Cc1cc(Br)c([C@H](Br)C2CC(Br)C2)cc1Br 1991410444 GPANRUZZNCFRKH-WZQIAMPNSA-N 475.844 6.130 50 10 JKGE Cc1sc(Br)c([C@@H](Br)Cc2ccncc2Br)c1C 2039499231 QNRXTLCPIFXQDP-JTQLQIEISA-N 454.025 5.964 50 10 JKGE COC[C@@H]1CC[C@H]([C@H](Br)c2c(Br)sc(Br)c2Cl)C1 2061291366 CZXYPALWPBJCKT-FJXKBIBVSA-N 481.475 6.425 50 10 JKGE Cc1nn(-c2cc(C(F)(F)F)cc(C(F)(F)F)c2)c2c1C(Cl)=C(/C=C(/C#N)C(N)=O)CC2 2080385417 GTJHXLXWRARTBC-WCIBSUBMSA-N 474.792 5.050 50 10 JKGE Cc1cc([C@H](Cl)c2c(Cl)sc(Cl)c2Cl)ccc1I 2086024163 ROVDFLJYISYAER-VIFPVBQESA-N 451.971 6.950 50 10 JKGE Brc1ccc(C[C@@H]2C[C@@H]3CCCC[C@H]3[C@H]2Br)c(Br)c1 2095363103 OMFOBISKHIWSHQ-JPYFCXBMSA-N 451.040 6.344 50 10 JKGE ClCc1nc2cc(Cl)c(Br)cc2n1C[C@H]1CCN(Cc2ccccc2)C1 2112702052 RGEDITYRKNLDDQ-HNNXBMFYSA-N 453.211 5.713 50 10 JKGE CC(C)[C@@H]1CC[C@@H](Br)[C@@H](Cc2cc(Br)ccc2Br)C1 2118524901 OGILOSLAKGCBMC-LALPHHSUSA-N 453.056 6.590 50 10 JKGE BrC[C@]1(Cc2cc(Br)ccc2Br)CCO[C@@H]1C1CC1 2118525878 YVQFNXHMBLTJBM-HUUCEWRRSA-N 453.012 5.334 50 10 JKGE C[C@@]1(C(F)(F)F)C[C@]1(CBr)Cc1cc(Br)ccc1Br 2118530417 XVSCUSCNTDPYJZ-NEPJUHHUSA-N 464.945 6.108 50 10 JKGE CCn1cc(Br)c([C@@H](Br)c2cc(Br)c(Cl)cc2F)n1 2124767830 GFQQGQQPYPRZDL-NSHDSACASA-N 475.381 5.705 50 10 JKGE Cc1cc(CN(C)c2ccc(Br)cc2CBr)sc1Br 2137586678 LYCHAPUZHPUCDM-UHFFFAOYSA-N 468.052 6.113 50 10 JKGE Cc1cc(Cl)c(Br)cc1[C@H](Br)c1ccc(Cl)cc1Br 2137642493 JPEWMUVTUQXZPZ-CQSZACIVSA-N 487.844 7.311 50 10 JKGE Cc1ccc([C@H](Br)c2ccc(Br)c(C)c2Br)cc1Cl 2138851258 JPLRSSUBBTYSSW-HNNXBMFYSA-N 467.426 6.966 50 10 JKGE Cc1c(Br)sc([C@H](Br)[C@H]2C[C@H]3COC[C@H](C3)C2)c1Br 2141802643 RLOFGKIMOWYWMM-DTHBNOIPSA-N 473.068 6.080 50 10 JKGE Cc1cccc(CC(CBr)(CBr)C2CCOCC2)c1Br 2144193451 RUMYPFHYUHZJST-UHFFFAOYSA-N 469.055 5.503 50 10 JKGE COc1cc(Br)c(C)cc1[C@@H](Br)c1ccc(Br)cc1C 2145958655 AJIPFXUFAKRXPW-INIZCTEOSA-N 463.007 6.321 50 10 JKGE Cl[C@H](Cc1ccc2c(c1)CCO2)c1cc(I)ccc1Br 2168653024 LECKKJHPPSYXPL-OAHLLOKOSA-N 463.540 5.511 50 10 JKGE CC(C)(C)OC(=O)N1CCN(CC2(CBr)CCCCCC2)[C@@H](CC(F)F)C1 2183406527 CUMUFOXUXYIHIZ-INIZCTEOSA-N 453.412 5.298 50 10 JKGE CC(C)(C)[C@H]1[C@H](Br)CCN1C(=O)c1cc(Br)ccc1Br 2185099661 JGXBTCSBBBKLPS-CHWSQXEVSA-N 468.027 5.236 50 10 JKGE CC1(C)CC[C@@H](CO[C@@H](CI)c2ccc(Br)cc2)OC1 2197342893 TUPPCLXJMQSADH-GJZGRUSLSA-N 453.158 5.147 50 10 JKGE Cc1cc(Br)c(C)c([C@H](Br)[C@H]2CCC[C@@H]2C(C)C)c1Br 2201076964 GLYOYBJJUGITLZ-IIYDPXPESA-N 467.083 7.337 50 10 JKGE Fc1cc(Br)c([C@@H](Br)c2cscc2C(F)F)c(F)c1Cl 2201609835 BBRSRFHGTIDBQX-VIFPVBQESA-N 452.492 6.864 50 10 JKGE COc1cc(F)c([C@H](Br)c2cccc(Br)c2C)cc1Br 2202904633 UXUKBMVSRKSFTP-OAHLLOKOSA-N 466.970 6.152 50 10 JKGE Cc1c(Br)ccc([C@@H](Br)Cc2c(F)cccc2Cl)c1Br 2203685657 MVIQNJXKLQNTFO-LBPRGKRZSA-N 485.416 6.991 50 10 JKGE Cc1c(Br)ccc([C@@H](Br)c2cc(F)c(F)cc2Cl)c1Br 2203707118 UVALPLXXFAGFGR-CQSZACIVSA-N 489.379 6.936 50 10 JKGE Fc1cc(Br)c(Br)cc1[C@H](Cl)c1cc(Br)cs1 2213490731 WAFGLWKMDWLXPZ-NSHDSACASA-N 463.391 6.503 50 10 JKGE C[C@@H]1CCC[C@H]([C@H](Cl)c2c(Br)sc(Br)c2Br)O1 2214323475 GEDTXJLKJULKKS-KCRUCZTKSA-N 467.448 6.273 50 10 JKGE CCc1sc(Br)cc1[C@H](Br)c1sc(C)c(Br)c1C 2218966776 ZWGONQUCJRAUEL-LBPRGKRZSA-N 473.093 6.998 50 10 JKGE BrCc1ccc(N2C[C@@H]3CCC[C@H](C2)N3Cc2ccccc2)c(Br)c1 2219216489 BKNPYKNIQLZJCO-KDURUIRLSA-N 464.245 5.587 50 10 JKGE Fc1cc(F)c([C@@H](Cl)c2csc(I)c2)c(F)c1Br 2220507599 PSZCLLJSXNQQMB-JTQLQIEISA-N 467.475 5.861 50 10 JKGE C[C@@H]1OC2(C)CC1([C@H](Br)c1cc(Br)c(Br)cc1F)C2 2225617563 UQPIYTWUKPKGBF-WEUKWTPRSA-N 456.975 5.744 50 10 JKGE COc1cc(C)ccc1[C@H](Br)c1c(Br)sc(Br)c1Cl 2225619727 MLDHQAZLORXCPR-JTQLQIEISA-N 489.454 6.728 50 10 JKGE Cc1ccc(Br)cc1[C@@H](Cl)c1cc(Br)c(Br)cc1F 2225633844 LSFMEPYQXXQUPM-CQSZACIVSA-N 471.389 6.750 50 10 JKGE CCC(CC)(CC)[C@H](Br)c1c(Br)cc(C)c(Br)c1C 2227357427 VLYVGKZOJRRAMK-OAHLLOKOSA-N 455.072 7.481 50 10 JKGE COC1CC(CC[C@@H](Br)c2c(Br)cc(Cl)c(Cl)c2Cl)C1 2232509260 CLHUDZCWAZSGMW-AMDVSUOASA-N 465.440 7.051 50 10 JKGE Clc1cc(Br)c([C@@H](Br)C2CC3(C2)CC32CC2)c(Cl)c1Cl 2232512733 UYZVDZRVLMYZRZ-MLUFTHPKSA-N 459.436 7.426 50 10 JKGE FC(F)(F)[C@H]1CC[C@H]1COc1c(Br)cc(Br)cc1CBr 2232683554 FVFBIFWPKGFBGW-XVKPBYJWSA-N 480.944 6.074 50 10 JKGE Cc1cc2nc(CCCl)n(C[C@H]3CC3(Br)Br)c2cc1Br 2233037962 DMOPVAGRYQGLSE-SECBINFHSA-N 485.445 5.395 50 10 JKGE Cc1cc([C@H](Cl)c2cc(Br)c(Br)cc2F)cc(C)c1Br 2235683683 OVWBDVALTPRNRA-HNNXBMFYSA-N 485.416 7.058 50 10 JKGE Fc1ccc(Br)cc1[C@@H](Br)c1c(F)cc(F)c(Br)c1F 2236111491 VJNHRAYZKSBIIB-LLVKDONJSA-N 476.887 6.252 50 10 JKGE O=C(c1cc(Br)c(Br)s1)N1C[C@H]2CCCC[C@]2(CBr)C1 2238793029 ZFSATGHMFCWYGF-OTYXRUKQSA-N 486.067 5.300 50 10 JKGE Brc1cccc([C@H](CI)O[C@H]2CCN(Cc3ccccc3)C2)c1 2244803288 YGZFMLQAQCVQNI-OALUTQOASA-N 486.191 5.216 50 10 JKGE COc1c([C@H](Br)c2ccoc2Br)cc(Br)c(C)c1C 2269161190 BWXYSHOSUJRYHS-GFCCVEGCSA-N 452.968 5.914 50 10 JKGE Fc1cc(C[C@@H](Cl)c2cc(Br)ccc2I)ccc1Cl 2277791869 MAPDZDZBRKVFDN-GFCCVEGCSA-N 473.938 6.369 50 10 JKGE Clc1cc(Br)ccc1[C@H](Cl)Cc1cc(Br)cc(Br)c1 2277962007 AZYCTJRIKLOKCF-CYBMUJFWSA-N 487.844 7.150 50 10 JKGE CC(C)(C)C1CC([C@@H](Br)Cc2cc(Br)cc(Br)c2)C1 2277967112 XUIZWEAJNPDOFX-QOZQQMKHSA-N 453.056 6.590 50 10 JKGE C[C@H]1CCC[C@H](CCOc2c(Br)cc(Br)cc2CBr)C1 2279845050 KYMGSXPKSQOPIK-NWDGAFQWSA-N 469.055 6.702 50 10 JKGE COc1c(Cl)cc(Br)cc1[C@H](Cl)c1c(F)cccc1I 2282786624 HSQRBQOAHWGNSO-ZDUSSCGKSA-N 489.937 6.183 50 10 JKGE COc1c(Br)cc(Cl)c(C)c1[C@H](Br)c1cccc(Br)c1 2295262052 DWPRNJJFXGVQNI-CQSZACIVSA-N 483.425 6.666 50 10 JKGE COc1cc(C)c(Cl)cc1[C@@H](Cl)c1ccc(I)c(Br)c1 2295298531 IFSJHCGVDJEUFK-HNNXBMFYSA-N 485.974 6.352 50 10 JKGE Brc1cc(Br)cc(C[C@H](Br)[C@@H]2C[C@H]2c2ccccc2)c1 2295333495 KTVRODLUSBGAHY-BBWFWOEESA-N 459.019 6.321 50 10 JKGE N#CC(=CNc1cccc(F)c1)c1nc(-c2cc3cc(Br)ccc3oc2=O)cs1 2295887821 CHFWMTJQSDYXOF-UHFFFAOYSA-N 468.307 5.795 50 10 JKGE CCCCCCOC(=O)c1ccccc1NC=C(C#N)c1nc(-c2cc3ccccc3oc2=O)cs1 2295937270 JCQXVPLZYCLGHU-UHFFFAOYSA-N 499.592 6.630 50 10 JKGE Cc1ccc(C)c(OCCOc2ccc(C=C(C#N)C(=O)Nc3nc4ccccc4s3)cc2)c1 2297500162 ODVCVMYCEFACLO-UHFFFAOYSA-N 469.566 5.917 50 10 JKGE N#CC(=Cc1ccc(OCCCOc2ccc(Cl)cc2)cc1)C(=O)Nc1nc2ccccc2s1 2297500395 SCSRYTZSWXPGJM-UHFFFAOYSA-N 489.984 6.343 50 10 JKGE CC1CCC([C@H](Br)c2cc(Br)ccc2OCc2ccccc2)CC1 2299491054 BLZWQJDRHWRJLR-GRXDXKALSA-N 452.230 7.290 50 10 JKGE Brc1ccc(OCc2ccccc2)c([C@H](Br)CC2CCCCC2)c1 2299491224 DANPVGLJTXRENP-HXUWFJFHSA-N 452.230 7.435 50 10 JKGE CCCCCCC[C@H](Br)c1cc(Br)ccc1OCc1ccccc1 2299502768 ZNMSQJHCPCARGN-FQEVSTJZSA-N 454.246 7.825 50 10 JKGE O[C@@H](c1c(Cl)cc(Br)c(F)c1Br)C1CC(Br)C1 2300207275 XUCFQZUSENSZOV-ZROIKLNDSA-N 451.355 5.211 50 10 JKGE O=C(N[C@H](CCBr)COCc1ccccc1)c1c(Cl)cccc1Br 2303541387 WWXVQROPAMAOPD-CQSZACIVSA-N 475.608 5.203 50 10 JKGE COc1cc(C=C(C#N)C(=O)NCc2ccccc2)cc(Br)c1OCc1ccc(F)cc1 2313565286 GLOYXMANINMSJJ-UHFFFAOYSA-N 495.348 5.399 50 10 JKGE N#CC(=Cc1ccc(-c2cc(Cl)ccc2Cl)o1)c1nc(-c2cccc3ccccc23)cs1 2314457033 TWRTWBXPRGWPCK-UHFFFAOYSA-N 473.384 8.594 50 10 JKGE CCC12COC([C@@H](Br)c3ccc(OCc4ccccc4)cc3Br)(C1)C2 2314503502 SMBDOBLCUGBHDH-MWXLCCTBSA-N 466.213 6.423 50 10 JKGE Cc1ccc(C[C@@H]2SC(=C(C#N)C(=O)NCc3ccco3)N(c3ccc(C(C)C)cc3)C2=O)cc1 2314593767 SJDGQFUZFAMRHH-VWLOTQADSA-N 485.609 5.454 50 10 JKGE CCCCCCOc1ccc(C=C(C#N)C(=O)NC2CCCCCCCCCCC2)cc1OC 2314717205 SQBJJEIBNFEMBO-UHFFFAOYSA-N 468.682 7.351 50 10 JKGE CC[C@@H](Br)CN(Cc1ccccc1)C(=O)Cc1ccc(OC)cc1Br 2316806284 ZLGMRKMZLVHMDB-QGZVFWFLSA-N 469.217 5.203 50 10 JKGE CCOc1cc(C=NNC(=O)c2cc3ccccc3n2C)ccc1OCc1cc(C)ccc1C 2323733272 RVWAMFUWQCQBNO-UHFFFAOYSA-N 455.558 5.537 50 10 JKGE CC(C)(CI)CN1C[C@@H](NC(=O)OC(C)(C)C)CC12CCCCCC2 2326665710 BQLBRYGFABHWER-INIZCTEOSA-N 464.432 5.140 50 10 JKGE CCOC(=O)c1c(-c2ccc(C(C)C)cc2)csc1NC(=O)C(C#N)=Cc1ccc(C)cc1 2329632712 DCGJAXPLJKJKJX-UHFFFAOYSA-N 458.583 6.569 50 10 JKGE CCCCc1ccc(N2C[C@@H](C(O)=C(C#N)c3nc(-c4cccc([N+](=O)[O-])c4)cs3)CC2=O)cc1 2331232503 CYXZAIQWZRULQY-IBGZPJMESA-N 488.569 5.907 50 10 JKGE N#CC(=C(O)COc1ccc(Cl)cc1Cl)c1nc(-c2ccc3c(c2)CCCC3)cs1 2331239903 RAHXGZNKCYZYPE-UHFFFAOYSA-N 457.382 6.867 50 10 JKGE CCCCc1ccc(-c2csc(C(C#N)=C(O)[C@H](C)N3C(=O)c4ccccc4C3=O)n2)cc1 2331255911 GYIKHNNUWNFSBP-INIZCTEOSA-N 457.555 5.630 50 10 JKGE COc1cc(C)c(-c2csc(C(C#N)=C(O)c3c(OC)cccc3OC)n2)cc1C(C)C 2331354018 YQDTXWFBMHMWQT-UHFFFAOYSA-N 450.560 6.218 50 10 JKGE COc1cc(C)c(-c2csc(C(C#N)=C(O)[C@@H](C)Oc3ccc(Cl)cc3Cl)n2)cc1C 2331402965 MHRZXUMVGNAVMX-CQSZACIVSA-N 475.397 7.003 50 10 JKGE COc1ccc(C)cc1-c1csc(C(C#N)=Cc2ccc(OC(=O)c3ccccc3)cc2)n1 2331449245 DJGHSMFXRIFESL-UHFFFAOYSA-N 452.535 6.411 50 10 JKGE Cc1ccc(-c2csc(C(C#N)=Cc3ccccc3OCc3ccc(Cl)cc3)n2)cc1C 2331472972 KPFGPAZDBXYVCR-UHFFFAOYSA-N 456.998 7.724 50 10 JKGE CCCOc1ccc(C=C(C#N)c2nc(-c3ccc(OC)c(Cl)c3)cs2)cc1OCC 2331480652 CDGFBYFHAIPCMU-UHFFFAOYSA-N 454.979 6.724 50 10 JKGE Cc1cc(Br)c(C)c([C@@H](Br)C[C@@H]2CCC2(F)F)c1Br 2335357977 HIRCZKKYLBSQQL-ONGXEEELSA-N 460.982 6.700 50 10 JKGE Brc1cc(OCc2ccccc2)ccc1[C@H](Br)[C@H]1CC2(CCCC2)CO1 2336078509 POOXBIGCFZEJLH-RTWAWAEBSA-N 480.240 6.813 50 10 JKGE C[C@@H](CBr)[C@H]1CCCCN1Cc1ccc(Cl)cc1I 2341047158 WQYDRFMQNWJXBL-XHDPSFHLSA-N 456.593 5.330 50 10 JKGE Cc1cc(Br)c(F)c(Br)c1[C@@H](Br)[C@H]1OC[C@@H]2CCC[C@H]12 2365180904 UEYNMDHJABZEOM-JCTPYMPQSA-N 471.002 5.910 50 10 JKGE CC[C@H](Oc1ccc2ccccc2c1Br)C(=O)N/N=C/c1ccccc1C(F)(F)F 20572891 HPZRYUAAKKCGGG-WFMQBCDOSA-N 479.296 5.929 50 10 JKGE Cc1nn(-c2ccccc2)nc1C(=O)Oc1ccc(/C(C#N)=C\c2ccc(C(F)(F)F)cc2)cc1 33381062 NVCNRAXYAQUTMW-HKWRFOASSA-N 474.442 5.878 50 10 JKGE Cc1cccc(C)c1NS(=O)(=O)c1ccc(NC(=O)/C(C#N)=C\c2cccc3ccccc23)cc1 33923743 WWWPBYCRKQFDQI-QJOMJCCJSA-N 481.577 5.803 50 10 JKGE COc1ccc(/C=N/NC(=O)[C@@H]2C[C@H]2c2ccc(C(C)(C)C)cc2)cc1CSCc1ccco1 33959870 BTWZRGKWCWWHCQ-XPOKZCJBSA-N 476.642 6.273 50 10 JKGE Cc1ccc(S(=O)(=O)/C(C#N)=C\c2c(Oc3cccc(C)c3C)nc3c(C)cccn3c2=O)cc1 34896274 HDJBTVNVVQWBGH-JCMHNJIXSA-N 485.565 5.059 50 10 JKGE N#C/C(=C/c1cn(-c2ccccc2)nc1C12CC3CC(CC(C3)C1)C2)C(=O)NC1CCCCC1 35447036 GOVCYKCTKALNHM-UCQKPKSFSA-N 454.618 5.696 50 10 JKGE CC1=C(C#N)C(=O)N(CC(C)C)C(=O)/C1=C/c1cn(-c2ccccc2)nc1-c1ccc(C)cc1 38605468 JAOSDNOPZVTIKQ-ZVHZXABRSA-N 450.542 5.096 50 10 JKGE N#CC1=C(N)Oc2cc(OC(=O)c3ccc(F)cc3)ccc2[C@H]1c1ccc(Cl)c(Cl)c1 38655704 ZPQFGFILHYHBPS-OAQYLSRUSA-N 455.272 5.570 50 10 JKGE CCCCOc1cccc(C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@@H]3c2cccc(F)c2)c1 38678238 WZCJSAGZQJEHJZ-RUZDIDTESA-N 458.489 5.442 50 10 JKGE CCCOc1ccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4oc5cc(C)ccc5c4C)ccc32)cc1 40530390 IHDYGYFSUFOYKE-HHHXNRCGSA-N 494.547 6.276 50 10 JKGE Cc1ccccc1C(=O)N/N=C1\CCCc2oc(C(=O)Nc3ccccc3C(F)(F)F)c(C)c21 40811487 NWZOWWANIBIWSB-NDZAJKAJSA-N 469.463 5.638 50 10 JKGE Cc1c(C(=O)Nc2nccs2)oc2c1/C(=N/NC(=O)c1ccc(-c3ccccc3)cc1)CCC2 40822724 QWAOXXUNWHXBRW-ZTKZIYFRSA-N 470.554 5.434 50 10 JKGE COc1cc(/C=N/NC(=O)COc2ccc(-c3ccccc3)cc2Br)ccc1OC(C)C 40911475 OTPDVWZDCARULO-JFLMPSFJSA-N 497.389 5.441 50 10 JKGE C=CCc1cc(/C=N/NC(=O)c2cc3ccccc3o2)cc(OCC)c1OCc1cccc([N+](=O)[O-])c1 59304468 OWQLUMCHDHNKHT-STBIYBPSSA-N 499.523 5.811 50 10 JKGE CCCCC1CCC(C(=O)N2c3ccc(C(=O)[C@@H](Br)C(C)C)cc3C[C@@H]2C)CC1 71432715 VKDUWLJNIJTVRO-XTQUCYJYSA-N 462.472 6.563 50 10 JKGE CCc1ccc(N2C(=O)[C@H](Cc3ccc(Cl)cc3)S/C2=C(/C#N)C(=O)Nc2ccccc2)cc1 101244382 HHICETWFOSVXFV-FYAMCCBRSA-N 488.012 5.967 50 10 JKGE CCCCCCCOc1ccc(/C=C(/C#N)C(=O)Nc2ncc(Cc3ccccc3Cl)s2)cc1 102958408 IIJPXXWNGPHUNT-JWGURIENSA-N 494.060 7.282 50 10 JKGE N#C/C(=C(\O)c1ccc(-c2ccc([N+](=O)[O-])cc2Cl)o1)c1nc(-c2ccc(F)cc2)cs1 102958734 ONVHXAIYQZWAKY-LTGZKZEYSA-N 467.865 6.721 50 10 JKGE COc1ccc(Br)cc1[C@H](Br)c1ccc(I)cc1 109834422 IVFSWVKTIDIGFJ-CQSZACIVSA-N 481.953 5.547 50 10 JKGE Clc1cc(Cl)c(OCCOc2ccc(Br)cc2)c(CBr)c1 110377676 HAEATCYXMJFFES-UHFFFAOYSA-N 454.973 6.109 50 10 JKGE Fc1ccc(CC(CBr)(CBr)C2CCCC2)cc1Br 128736810 RKAFOIYXQVJOAV-UHFFFAOYSA-N 457.019 6.097 50 10 JKGE Cc1cc([C@@H](Br)c2cc(Br)sc2Br)c(F)cc1F 137359530 PZXRZZXFOQDMDP-LLVKDONJSA-N 460.963 6.344 50 10 JKGE CCCOc1c(Cl)cc(/C=N\NC(=O)Cc2cc(Cl)ccc2SC)cc1OCC 169922757 MLBLJEYNJMIHMF-CFRMEGHHSA-N 455.407 5.596 50 10 JKGE CCCCOc1ccc(/C=C\C(=O)Oc2ccc(/C=C(/C#N)C(=O)NCc3ccco3)cc2)cc1 206690074 IQFIWOFVBROKLB-GPLMREEHSA-N 470.525 5.301 50 10 JKGE CCOC(=O)c1c(NC(=O)/C(C#N)=C\c2ccc(OC)c(OCC)c2)sc2c1CC[C@@H](C)C2 209405321 OORNCANPEOSZEY-UHVIJJLKSA-N 468.575 5.003 50 10 JKGE CCCCOc1ccc(/C=C2\C(=O)N([C@H](C)c3ccccc3)C(=O)C(C#N)=C2C)cc1OCC 214342607 ZEDMNWOJPFVWJW-AOMYKUFJSA-N 458.558 5.618 50 10 JKGE CCCCCCCCOc1ccc(/C=C2\C(=O)N(C3CCCCC3)C(=O)C(C#N)=C2C)cc1OC 214367528 CXMHPYZFIDAIEG-MOHJPFBDSA-N 478.633 6.359 50 10 JKGE COc1ccc([C@H](Br)c2ccc(Br)cc2)c(OC)c1Br 224857808 QDTCIOFGSNPIBW-CYBMUJFWSA-N 464.979 5.713 50 10 JKGE COc1ccc(Cl)cc1[C@H](Br)c1cc(Br)cc(Br)c1 234879505 DSIBBEWZCFHJCM-CQSZACIVSA-N 469.398 6.358 50 10 JKGE Cc1ccc(C(=O)Nc2cccc(C(=O)NN=Cc3ccccc3OCc3ccccc3)c2)cc1 252585014 FOTQFTYMELQEHO-UHFFFAOYSA-N 463.537 5.590 50 10 JKGE CC(=NNC(=O)c1ccc(C)s1)c1cccc(NC(=O)COc2ccc(Cl)cc2Cl)c1 252616377 JZZQWWHBWWWTOF-UHFFFAOYSA-N 476.385 5.535 50 10 JKGE CCCCc1ccc(-n2c(C)cc(C=NNC(=O)COc3cccc(Br)c3)c2C)cc1 252639026 YHJBTWMRSMBTOW-UHFFFAOYSA-N 482.422 5.728 50 10 JKGE COc1ccccc1/C=C/C=NNC(=O)CSc1nc2ccccc2n1Cc1ccccc1 254311799 LXUCPBVDTUEIEM-QMYYMAAUSA-N 456.571 5.001 50 10 JKGE CCn1c(SCC(=O)NN=C(C)c2ccc(F)cc2)nnc1-c1ccc(C(C)(C)C)cc1 254413776 BSMPQHXWLVOTGR-UHFFFAOYSA-N 453.587 5.034 50 10 JKGE CC[C@@H](Oc1cccc(Br)c1)C(=O)NN=Cc1cccc(Oc2ccccc2)c1 254557703 OYCKMOQQMIJJHC-JOCHJYFZSA-N 453.336 5.549 50 10 JKGE CCOc1ccc(C(=O)Oc2ccc(C=NNC(=O)c3cccc4ccccc34)cc2OC)cc1 254622640 AUOXUNYZVOBFLI-UHFFFAOYSA-N 468.509 5.230 50 10 JKGE O=C(CSc1nnc(-c2ccccc2)s1)NN=Cc1ccc(OCCc2ccccc2)cc1 256028424 LFPPBXWTCXVJBO-UHFFFAOYSA-N 474.611 5.069 50 10 JKGE Brc1ccsc1[C@H](Br)c1sccc1I 306383054 XYUJXMKMNFSBKM-ZETCQYMHSA-N 463.985 5.661 50 10 JKGE COCC1(COc2c(Br)cc(CBr)cc2Br)CCC1 311504682 FZMSGPNPMFYTMZ-UHFFFAOYSA-N 457.000 5.302 50 10 JKGE Fc1cccc(F)c1COc1c(Br)cc(Br)cc1CBr 312619430 HNPFUJNKVPLTFK-UHFFFAOYSA-N 470.933 5.964 50 10 JKGE Fc1ccc(COc2c(Br)cc(Br)cc2CBr)cc1Cl 312840266 VXZXWSFOQAHGMN-UHFFFAOYSA-N 487.388 6.478 50 10 JKGE Cc1cc([C@@H](Br)c2c(C)cc(C)c(Br)c2C)ccc1Br 383510620 FGLXZXNGPQQWLN-QGZVFWFLSA-N 461.035 6.930 50 10 JKGE Cc1cc([C@H](Cl)c2cc(Br)ccc2I)c(C)cc1F 386474191 VGVNGPHUGHOJAY-HNNXBMFYSA-N 453.520 6.138 50 10 JKGE Cc1cc(Br)c([C@H](Br)C2C[C@H](C)O[C@@H](C)C2)cc1Br 724375314 DRIZUIKLVSICBB-AMJWSMQMSA-N 455.028 6.160 50 10 JKGE C[C@H](Oc1ccc(Cl)cc1Cl)C(=O)NN=Cc1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1 1084174980 BEANPWBLBSHQOY-AWEZNQCLSA-N 465.421 6.212 50 10 JKGE COc1ccc(C(=O)NN=Cc2c(Br)c(C)n(-c3c(C)cccc3C)c2C)cc1OC 1084469444 LBNNLKXWTAFFJE-UHFFFAOYSA-N 484.394 5.255 50 10 JKGE Cc1c(/C=C(\C#N)C(=O)Nc2cccc(Cl)c2Cl)c2ccccc2n1Cc1ccc(Cl)cc1 1084551566 NCMDYCIJPPNXEG-QGOAFFKASA-N 494.809 7.504 50 10 JKGE COc1cc(C=NNC(=O)COc2cc(C)ccc2C(C)C)ccc1OCCc1ccccc1 1772754464 WGRGTYLXNKAXIC-UHFFFAOYSA-N 460.574 5.278 50 10 JKGE O=C(CSc1nc2ccccc2[nH]1)NN=Cc1ccccc1OCc1ccc(Cl)cc1Cl 1772760423 LCGVRBVPSFTONS-UHFFFAOYSA-N 485.396 5.691 50 10 JKGE CCCCCOc1ccc([C@H]2C(C#N)=C(N)Oc3c2c(-c2ccc(OC)cc2)nn3C)cc1OCC 1865691058 IGFAPXAQPBKQIR-DEOSSOPVSA-N 488.588 5.282 50 10 JKGE CCCOc1ccc([C@@H]2C(C#N)=C(N)Oc3c2c(C(F)(F)F)nn3-c2ccccc2Cl)cc1 1865694658 YTUTVCXWASVFBK-GOSISDBHSA-N 474.870 5.551 50 10 JKGE CCn1nc(C(F)(F)F)c2c1OC(N)=C(C#N)[C@H]2c1ccc(OCc2ccc(Cl)cc2)cc1 1865695506 PCZSEYMVFVUDHY-GOSISDBHSA-N 474.870 5.372 50 10 JKGE CCCOc1ccccc1[C@H]1C(C#N)=C(N)Oc2c1c(CC)nn2-c1cccc2ccccc12 1865702925 IKZWCUMEIUUSCC-VWLOTQADSA-N 450.542 5.595 50 10 JKGE COc1ccc([C@H]2C(C#N)=C(N)Oc3c2c(-c2ccccc2)nn3Cc2ccc(C)cc2)cc1OC 1865707195 QHZGWRJGPHEXMO-VWLOTQADSA-N 478.552 5.142 50 10 JKGE Cc1nc(-c2ccc(F)c(F)c2)ccc1C(=O)NNC(=O)CC(c1ccccc1)c1ccccc1 1865755918 WXXVHTNFGHSVOQ-UHFFFAOYSA-N 471.507 5.318 50 10 JKGE Cc1ccc(CCCC(=O)NNC(=O)c2ccc(-c3ccc(Cl)c(Cl)c3)nc2C)cc1 1865759357 WJXDGRCWWHOMTA-UHFFFAOYSA-N 456.373 5.456 50 10 JKGE C[C@H](c1ccccc1)N1C[C@H](/C(O)=C(\C#N)c2nc(-c3ccc([N+](=O)[O-])cc3)cs2)CC1=O 1872747007 KABALVAEBRXGTA-AXHJZAJQSA-N 460.515 5.121 50 10 JKGE CCOc1ccc(-c2csc(/C(C#N)=C(\O)c3ccc4c(c3)C(=O)N(CC(C)C)C4=O)n2)cc1 1872747881 XVMOCUNEFKMAQX-LNVKXUELSA-N 473.554 5.411 50 10 JKGE CCOc1cc(/C(O)=C(\C#N)c2nc(-c3ccc(F)c(C)c3)cs2)cc(OCC)c1OCC 1872749906 MWZOWNYSBVQMHD-NKFKGCMQSA-N 468.550 6.404 50 10 JKGE COc1ccc(/C=C/C(O)=C(\C#N)c2nc(-c3cc(Cl)cc(Cl)c3OC)cs2)c(OC)c1 1872754118 CWKGZAAGPDWSQL-VFFXKLFPSA-N 489.380 6.649 50 10 JKGE COc1ccc(-c2csc(/C(C#N)=C(\O)[C@H](C)Oc3ccc(Cl)cc3Cl)n2)c(C)c1C 1872754290 LKTOKRYEYTWWBC-AEWZPABSSA-N 475.397 7.003 50 10 JKGE CCCc1ccc(OC/C(O)=C(\C#N)c2nc(-c3ccc(OCC)cc3OCC)cs2)cc1 1872755639 XYTRKFCFSSAHNS-GYHWCHFESA-N 464.587 6.432 50 10 JKGE COc1ccc(-c2csc(/C(C#N)=C(\O)CCCOc3ccc(Cl)cc3)n2)c2ccccc12 1872758639 JHTOSQOZKLTZHZ-GYHWCHFESA-N 476.985 7.277 50 10 JKGE N#C/C(=C\c1ccc(OCc2ccc(Cl)cc2)cc1)c1nc(-c2ccc(F)cc2F)cs1 1872784679 VGXIVTOXSQXRJV-WOJGMQOQSA-N 464.924 7.385 50 10 JKGE O=C(N[C@H](CCCl)COCc1ccccc1)c1cc(Br)c(Br)s1 1902914557 UJNZWHRVTAJAIV-GFCCVEGCSA-N 481.637 5.217 50 10 JKGE Clc1cc(Br)c([C@@H](Br)c2cc(Br)sn2)s1 1909888580 FKIPZLYXWTWVCI-ZETCQYMHSA-N 452.418 5.867 50 10 JKGE C[C@H](CBr)N(Cc1ccccc1)c1ncc(Br)cc1C(F)(F)F 1914347523 FXUDLTDMXYOLNX-LLVKDONJSA-N 452.112 5.653 50 10 JKGE C[C@H]1CN(Cc2ccccc2)C[C@@H](C)N(c2cc(Br)ccc2CBr)C1 1921467249 WIXVVXPKYANAAT-DLBZAZTESA-N 466.261 5.691 50 10 JKGE Cc1c(Br)sc([C@H](Cl)c2ccccc2OCc2ccccc2)c1Br 1922887146 MGBHGAPGWWTBMV-QGZVFWFLSA-N 486.656 7.489 50 10 JKGE Cc1c(Br)sc([C@H](Br)[C@]23CCCC[C@H]2CCC3)c1Br 1922929158 GQTPTIZEVRLCGO-XEGUGMAKSA-N 471.096 7.378 50 10 JKGE Cl[C@@H](c1c(Br)sc(Br)c1Br)[C@H]1C[C@H]2CC[C@H]1O2 1924605902 YMAVQCGEGDNFNE-FMDIHHLLSA-N 465.432 5.883 50 10 JKGE Cl[C@H](c1c(Br)sc(Br)c1Br)[C@@H]1CCCC2(CC2)C1 1924609127 SFEHBHYBHRNMOC-XCBNKYQSSA-N 477.487 7.286 50 10 JKGE CC1(C)CC[C@]2(CC[C@@](C)(CI)O2)[C@@H](CNC(=O)OC(C)(C)C)C1 1927122009 MKHDESDUDWZSEI-CCKFTAQKSA-N 451.389 5.080 50 10 JKGE Cc1c(Br)ccc([C@@H](Cl)c2nscc2Br)c1Br 2024292492 BUTQYNWJRCZHTL-SNVBAGLBSA-N 460.416 6.067 50 10 JKGE Cc1cc([C@@H](Br)c2cc(Br)c(Cl)cc2F)sc1Br 2036573363 WUMFTUMNCGOGOU-NSHDSACASA-N 477.418 6.858 50 10 JKGE Cc1c(Br)sc([C@@H](Br)C2CCC(C)(C)CC2)c1Br 2039359844 NJDGWPQOFBETQH-NSHDSACASA-N 459.085 7.234 50 10 JKGE CCc1cc(Br)c([C@@H](Br)c2c(Br)c(C)nn2C)s1 2072301477 XYDFDRORXAPECP-JTQLQIEISA-N 457.029 5.362 50 10 JKGE C[C@H]1O[C@@]2([C@H](Br)c3c(Br)sc(Br)c3Cl)CC[C@H]1C2 2078505355 LBHMPQFVFCFXLR-SJAUJHBISA-N 479.459 6.320 50 10 JKGE Cc1cc(Br)c(C)c([C@H](Cl)c2cscc2Br)c1Br 2081072859 YYYAMYQOHKZDIN-CYBMUJFWSA-N 473.455 6.981 50 10 JKGE COc1cc(Cl)c([C@H](Br)c2occc2Br)cc1Br 2082382661 QBSILTBGENOSOK-NSHDSACASA-N 459.359 5.951 50 10 JKGE CCc1ccsc1[C@H](Br)c1ccc(Br)c(C)c1Br 2083336989 GLSWGRWXJACRFJ-CYBMUJFWSA-N 453.037 6.628 50 10 JKGE CC(C)(C)OC(=O)N1CCC[C@@](CBr)(OCc2ccc(F)cc2Br)C1 2085376860 WBBRYXUUXWULAI-SFHVURJKSA-N 481.200 5.269 50 10 JKGE Cc1sc(Br)cc1[C@@H](Br)c1scc(C(F)(F)F)c1Br 2095697838 BKBCKHVCEFDIDJ-MRVPVSSYSA-N 499.009 7.146 50 10 JKGE Fc1cc(Cl)c(Br)cc1[C@@H](Cl)c1cc(Br)cc(Br)c1 2097834096 IIKMQYQGJFCLBH-ZDUSSCGKSA-N 491.807 7.095 50 10 JKGE Brc1cccc(C[C@@H]2CCCCCCC[C@H]2Br)c1Br 2112482585 CORXTGKCRJGJHO-GXTWGEPZSA-N 453.056 6.878 50 10 JKGE FC1(F)CCN(Cc2cc(Br)ccc2Br)CC[C@H]1Br 2118524505 KBCZGEDALIASHC-GFCCVEGCSA-N 461.970 5.206 50 10 JKGE Cn1cc(Br)c([C@H](Br)c2c(Br)cc(F)c(Cl)c2F)n1 2136959725 WCNLQAICMFUJPY-MRVPVSSYSA-N 479.344 5.361 50 10 JKGE CC[C@@]12CC[C@@]([C@H](Br)c3c(Br)sc(Br)c3Cl)(CO1)C2 2137168064 AQMXEZVFZHJWQK-ICCXJUOJSA-N 493.486 6.712 50 10 JKGE FC(F)(F)c1ccc([C@@H](Br)c2cc(Cl)c(Br)s2)cc1Cl 2146761587 BKQKFMLJGNUVOK-SNVBAGLBSA-N 468.947 7.321 50 10 JKGE CCCCCCCCCC[C@@H](Br)c1c(Cl)sc(Br)c1Cl 2164488353 WCOKJHLKDIQZIP-LLVKDONJSA-N 465.122 8.784 50 10 JKGE O=C1Cc2cc([C@@H](Br)c3cc(Br)c(Cl)s3)c(Cl)cc2N1 2172570603 YPTHRGIIMMZKFJ-GFCCVEGCSA-N 455.986 5.796 50 10 JKGE Cc1oc(C)c(S(=O)(=O)N(Cc2ccccc2)[C@@H](C)c2cccs2)c1CBr 2179791493 RSPQBDIJCKABAQ-AWEZNQCLSA-N 468.438 5.805 50 10 JKGE C[C@H]1OC2(CC(CBr)(CBr)c3cccc(Br)c3)CC1C2 2188987098 VEUYRYHLOKZSHY-OPGSHWCFSA-N 467.039 5.434 50 10 JKGE COc1cc(Cl)c([C@H](Br)c2cccc(Cl)c2Cl)cc1Br 2202346369 HACCVIACVFFZLO-CYBMUJFWSA-N 459.392 6.902 50 10 JKGE Cc1c(Br)ccc([C@H](Br)[C@H]2CC[C@]3(C2)CC3(F)F)c1Br 2203687322 WUWKUWUAZRUQBO-FZZIBODNSA-N 472.993 6.782 50 10 JKGE CCC[C@H]1CN(C(=O)c2cccc(Br)c2Br)C[C@H]1CBr 2205683250 MWMBSTFUZMHMHS-WDEREUQCSA-N 468.027 5.095 50 10 JKGE Brc1cc([C@@H](Br)c2ccc(-c3ccccc3)s2)sc1Br 2206126691 JKMPFDYFBWBAJV-AWEZNQCLSA-N 493.083 7.486 50 10 JKGE Fc1cc(Br)c(Br)cc1[C@H](Cl)c1ccccc1OCc1ccccc1 2218596512 FVAMSTFVDIVWMM-HXUWFJFHSA-N 484.590 7.258 50 10 JKGE Cc1c(Br)csc1[C@H](Cl)c1cc(Br)c(Br)cc1F 2219001959 FUJGYMOTAFGMEY-LLVKDONJSA-N 477.418 6.811 50 10 JKGE FC(F)(CC1CC1)[C@H](Br)c1c(Br)cc(Cl)c(Cl)c1Cl 2224325345 XNSKTHKKPNKZRB-LLVKDONJSA-N 457.367 7.281 50 10 JKGE Cc1cc(Cl)c(Br)cc1[C@H](Br)c1sc(C)c(C)c1Br 2229322838 MKEQEXFDSZQDSY-ZDUSSCGKSA-N 487.482 7.336 50 10 JKGE CC(C)(C)OC(=O)N1CCC(CI)(O[C@H]2CCC[C@@H](C(F)(F)F)C2)CC1 2231395918 ZWTYXQKFXGLZAS-KGLIPLIRSA-N 491.332 5.329 50 10 JKGE CCOCc1cc(Br)c([C@H](Br)c2cc(Br)ccc2C)s1 2233024721 XROIFGNGLCGYBS-CQSZACIVSA-N 483.063 6.602 50 10 JKGE Cn1cnc2sc([C@H](Br)c3cc(Br)c(Br)cc3F)cc21 2233975159 ITFFEUJFHWSDMW-GFCCVEGCSA-N 482.998 5.783 50 10 JKGE O=C(c1cccc(Br)c1Br)N1CCC[C@H](CCCBr)C1 2234187980 BEEFBXUXEQKPKI-NSHDSACASA-N 468.027 5.239 50 10 JKGE O=C(c1c(Br)cccc1Br)N1CCC[C@@H](CCCBr)C1 2234197121 VKNJELRWMGKNSS-LLVKDONJSA-N 468.027 5.239 50 10 JKGE CC(C)[C@H](CBr)N(Cc1ccccc1)C(=O)c1cccc(Cl)c1Br 2248095938 JIWMHJBPSLSFOW-KRWDZBQOSA-N 473.636 6.164 50 10 JKGE C[C@H](COCc1ccccc1)CC(CBr)(CBr)CCc1ccccc1 2258676307 XOAWZEBNHYALSU-IBGZPJMESA-N 468.273 6.638 50 10 JKGE ClCc1cc(Br)ccc1Oc1cc(I)ccc1Cl 2259929795 DWKDOLXMXPUCLW-UHFFFAOYSA-N 457.920 6.238 50 10 JKGE Clc1cccc([C@H](Br)Cc2cc(Br)cc(Br)c2)c1 2263519436 RKQFJKFEXRJNHT-CQSZACIVSA-N 453.399 6.544 50 10 JKGE COc1cccc([C@H](Cl)c2c(Br)sc(Br)c2Cl)c1Cl 2268264421 SEQNTACEJSWGKR-VIFPVBQESA-N 465.421 6.917 50 10 JKGE C=CC[C@@]1(CBr)CCN(Cc2cc(Cl)ccc2I)C1 2272111149 RONCVCGDMXLHNU-HNNXBMFYSA-N 454.577 5.108 50 10 JKGE COc1ccc(Oc2ccc(CBr)cc2Br)cc1Br 2277990565 OSGHFPSOQCUSOX-UHFFFAOYSA-N 450.952 5.907 50 10 JKGE Cc1cc(Br)c([C@H](Br)C2CC(S(C)(=O)=O)C2)c(C)c1Br 2285274451 NUPQGASLQYCCPG-RPFQZYLTSA-N 489.067 5.088 50 10 JKGE COc1ccc(C=C(C#N)C(=O)Nc2ncc(Cc3cc(C(F)(F)F)ccc3Cl)s2)cc1 2293038898 GCXWWZRGPACXAR-UHFFFAOYSA-N 477.895 5.960 50 10 JKGE COc1cc(C=C(C#N)C(=O)NCc2ccccc2)c(Br)cc1OCc1ccccc1 2294510954 CSFXLAKPFGTGDS-UHFFFAOYSA-N 477.358 5.260 50 10 JKGE CCOc1ccccc1NC(SCc1ccccc1Cl)=C(C#N)C(=O)NCc1ccccc1 2297414568 MEGVVZZYVQAKOC-UHFFFAOYSA-N 478.017 6.136 50 10 JKGE N#CC(=Cc1ccc(-c2ccc(Cl)c(Cl)c2)o1)C(=O)Nc1ccc([N+](=O)[O-])cc1C(F)(F)F 2297551398 HPBUCJMADJPZCY-UHFFFAOYSA-N 496.228 6.726 50 10 JKGE Brc1cc(OCc2ccccc2)ccc1[C@@H](Br)[C@@H]1C[C@@H]2C[C@@H]2CO1 2299493358 GBKYKWAYQHOUHH-IDENBPMYSA-N 452.186 5.889 50 10 JKGE CC1(C)CC[C@H]([C@@H](Br)c2ccc(OCc3ccccc3)cc2Br)C1 2299506296 ALGCJGQCVZCHTA-OXJNMPFZSA-N 452.230 7.290 50 10 JKGE Cc1cc([N+](=O)[O-])ccc1-n1c(C)cc(C=C(C#N)C(=O)NCCc2c[nH]c3ccccc23)c1C 2313555966 HFNSRGPXSMMIMR-UHFFFAOYSA-N 467.529 5.058 50 10 JKGE COc1ccc(CNC(=O)C(C#N)=Cc2ccc(OCc3ccc(Cl)cc3Cl)cc2)cc1 2313683499 UFZVYCOMYRVQTD-UHFFFAOYSA-N 467.352 5.804 50 10 JKGE CC(C)Oc1ccc(-c2nn(-c3ccccc3)cc2C=C(C#N)c2nc(O)c3ccccc3n2)cc1 2314433739 RUADPVSMIUVZNL-UHFFFAOYSA-N 473.536 6.039 50 10 JKGE C[C@@H]1CCC[C@@H]([C@@H](Br)c2ccc(OCc3ccccc3)cc2Br)CC1 2314441107 VYEDMLCJLJGBJM-RADWXHQJSA-N 466.257 7.681 50 10 JKGE Brc1ccc(OCc2ccccc2)c([C@H](Br)[C@@]23CCC[C@@H]2OCC3)c1 2314451785 HXDCHCOKRDIWJO-PCCBWWKXSA-N 466.213 6.423 50 10 JKGE C[C@@H]1C[C@@H]2C[C@@H]2C[C@H]1[C@H](Br)c1cc(Br)ccc1OCc1ccccc1 2314496441 BJFTXDXEVYTCSG-AOMQBQPUSA-N 464.241 7.146 50 10 JKGE N#CC(=Cc1ccc(-c2cc(Cl)ccc2Cl)o1)c1nc(-c2cccc([N+](=O)[O-])c2)cs1 2314519255 GPIROHNSLBCRJS-UHFFFAOYSA-N 468.321 7.349 50 10 JKGE N#CC(=Cc1ccc(-c2c(Cl)cccc2Cl)o1)C(=O)Nc1cc(C(F)(F)F)ccc1Cl 2314572175 VHIZLVASSIYTNU-UHFFFAOYSA-N 485.676 7.471 50 10 JKGE CCCN1C(=O)C(=Cc2ccc(OCc3ccc(Cl)cc3Cl)c(OC)c2)C(C)=C(C#N)C1=O 2314610847 NARSGWJGRUJMHG-UHFFFAOYSA-N 485.367 5.583 50 10 JKGE CCCCCCCOc1ccc(C=C2C(=O)N(Cc3ccccc3)C(=O)C(C#N)=C2C)cc1OCC 2314619071 ZIKVNXYNQFLNNK-UHFFFAOYSA-N 486.612 6.227 50 10 JKGE C[C@@H]1C[C@H]1CC[C@@H](Br)c1c(Cl)cc(Br)c(F)c1Br 2315445734 AEWHVAPMVDAKJY-BWZBUEFSSA-N 463.410 6.876 50 10 JKGE COc1cc(C)c(Br)cc1[C@H](Br)c1cnsc1Br 2315622206 VDHJIVPSTHBACQ-NSHDSACASA-N 455.997 5.469 50 10 JKGE ClCc1cc(Br)ccc1Oc1cc(Br)cc(Br)c1 2316759215 WYHYNQMHJNHTLD-UHFFFAOYSA-N 455.371 6.505 50 10 JKGE BrC[C@H](COCc1cc(I)ccc1Br)CC1CC1 2318983281 VPZFGGNOAZRSNT-LLVKDONJSA-N 488.001 5.382 50 10 JKGE Brc1cc(C[C@H]2[C@@H](Br)C[C@H]3CC[C@H]2C3)ccc1I 2325189507 LXWXIQRGYUXPLV-SYEHKZFSSA-N 484.013 5.796 50 10 JKGE C[C@H](Br)C[C@@H]1CCCN1Cc1ccc(I)c(Br)c1 2325221082 DMNXYPMPVLJSCC-JQWIXIFHSA-N 487.017 5.192 50 10 JKGE CC1(C)CC[C@H](Br)CN1Cc1ccc(I)c(Br)c1 2325225265 DUSAOVZELMFMLB-NSHDSACASA-N 487.017 5.192 50 10 JKGE ClCC1(SCc2ccc(I)c(Br)c2)CCCCC1 2325276563 NGPKCNKDSVORMB-UHFFFAOYSA-N 459.618 6.229 50 10 JKGE CC[C@@H](NC=C(C#N)C(=O)Nc1ccc(I)cc1C)c1ccc2c(c1)CCCC2 2325405991 DZNWKEBROLWFHU-JOCHJYFZSA-N 499.396 5.565 50 10 JKGE CC(C)(C)[C@H]1CCc2c(sc(NC(=O)C(C#N)=Cc3ccc(Br)cc3)c2C(N)=O)C1 2329665334 IYQXDXHZLNMRCP-HNNXBMFYSA-N 486.435 5.306 50 10 JKGE COC(=O)c1ccc2c(O)nc(C(C#N)=Cc3ccccc3OCc3ccc(C)cc3)nc2c1 2331045472 XBEWNZWKSHEJHM-UHFFFAOYSA-N 451.482 5.074 50 10 JKGE CCCOc1ccc(-c2csc(C(C#N)=C(O)C(Cl)(Cl)Cl)n2)cc1OCCC 2331293612 GRHXWRISJGKIRZ-UHFFFAOYSA-N 461.798 6.551 50 10 JKGE COc1cc(C=CC(O)=C(C#N)c2nc(-c3ccc(Cl)cc3)cs2)cc(OC)c1OC 2331299231 KWNHRJPXGXLYPC-UHFFFAOYSA-N 454.935 5.995 50 10 JKGE CCCOc1ccc(-c2csc(C(C#N)=C(O)[C@H]3CC(=O)N(Cc4ccccc4)C3)n2)cc1 2331318550 XTTBQEAHKRRJAK-FQEVSTJZSA-N 459.571 5.440 50 10 JKGE CC[C@H](C)N1C(=O)c2ccc(C(O)=C(C#N)c3nc(-c4ccc(F)c(F)c4)cs3)cc2C1=O 2331351798 ZSWVMKSESUXTBG-LBPRGKRZSA-N 465.481 5.433 50 10 JKGE C=CCOc1ccccc1OCC(O)=C(C#N)c1nc(-c2cc(OC)c(Cl)cc2OC)cs1 2331376942 MZJPCFFAQBJSOT-UHFFFAOYSA-N 484.961 5.917 50 10 JKGE COc1cccc(-c2csc(C(C#N)=Cc3cccc(OC)c3OCc3cccc(C)c3)n2)c1 2331421490 UMTBBJNCKVLALN-UHFFFAOYSA-N 468.578 6.779 50 10 JKGE COc1cccc(C=C(C#N)c2nc(-c3ccc(F)cc3F)cs2)c1OCc1cccc(C)c1 2331437874 PERWZCXYILSMRC-UHFFFAOYSA-N 474.532 7.049 50 10 JKGE CCCOc1ccc(C=C(C#N)c2nc(-c3cc(Cl)cc(Cl)c3OC)cs2)cc1OCC 2331467722 YIEYYLIKGDSPPI-UHFFFAOYSA-N 489.424 7.377 50 10 JKGE CCCCCOc1ccc(C=C(C#N)c2nc(-c3cc(C)c(OC)cc3C)cs2)cc1OCC 2331484329 DQVOPOVGBWVVHL-UHFFFAOYSA-N 476.642 7.467 50 10 JKGE CC1(C)[C@H]2CC[C@@H](C2)[C@@H]1[C@H](Br)c1cc(Br)ccc1OCc1ccccc1 2336076597 AJGLNBPBHIGIPE-PEYKTXOXSA-N 478.268 7.536 50 10 JKGE Fc1cc(F)c([C@H](Cl)c2c(Br)sc(Br)c2Cl)cc1F 2336114204 ACOYCYUBQKFMIZ-QMMMGPOBSA-N 454.920 6.672 50 10 JKGE COc1sccc1[C@@H](Br)c1c(Cl)cc(Br)c(F)c1Br 2337113002 VEYZWDVGXUWDKV-SECBINFHSA-N 493.417 6.559 50 10 JKGE C[C@H](Br)C[C@@H]1CCCCN1Cc1ccc(Cl)c(I)c1 2337221479 PMMXZLISSMRKHP-AAEUAGOBSA-N 456.593 5.473 50 10 JKGE Cc1cc(Cl)c(Br)cc1[C@H](Br)c1c(Br)nc(C)n1C 2337283405 OJINVGNRTIGWES-NSHDSACASA-N 471.418 5.700 50 10 JKGE BrC[C@]12CCCC[C@@H]1N(Cc1sccc1I)CCC2 2338753749 ZQIOKUMQODQWKG-LSDHHAIUSA-N 454.215 5.272 50 10 JKGE Cc1cc(Br)c(F)c(Br)c1[C@H](Br)C[C@H]1CC[C@@H](C)O1 2339652709 BTBICASNNKRORQ-OPRDCNLKSA-N 458.991 6.053 50 10 JKGE COc1ccc([C@H](Br)c2cc(OC)c(Cl)s2)cc1I 2340286998 OULZFMULLYBFBK-LBPRGKRZSA-N 473.557 5.508 50 10 JKGE CN(CCCCCCCBr)Cc1c(Br)cccc1Br 2340634882 HSVQVRWRNIBEMT-UHFFFAOYSA-N 456.060 5.989 50 10 JKGE CC1=C(C)C[C@@](CBr)(Cc2cccc(Br)c2Br)CC1 2343299426 HLWTUADDOPOCQH-MRXNPFEDSA-N 451.040 6.656 50 10 JKGE Cl[C@@H]1[C@H](Cc2ccc(I)c(Br)c2)C[C@H]2CCCC[C@@H]21 2349779249 SGFQFWPPSZXUJA-NFFDBFGFSA-N 453.589 6.030 50 10 JKGE ClCCC1(NCc2ccc(I)c(Br)c2)CCCCC1 2349827373 IKAKTUSLYGPNDD-UHFFFAOYSA-N 456.593 5.475 50 10 JKGE Fc1c(Br)cc(Cl)c([C@H](Br)[C@@H]2C[C@H]2C2CCCC2)c1Br 2362225719 WNFWSABRSDIWFG-IGJMFERPSA-N 489.448 7.266 50 10 JKGE C[C@@]1([C@H](Br)c2c(Cl)cc(Br)c(F)c2Br)CCCC1(F)F 2362237798 SVTRGCXSEODAPO-NEPJUHHUSA-N 499.390 7.266 50 10 JKGE Clc1ccc(CN2CCC3(CC[C@@H](Br)C3)CC2)cc1I 2362369065 UMLYRAQLBBTZDT-CYBMUJFWSA-N 468.604 5.474 50 10 JKGE CC1(C)[C@H]2CC[C@@H](C2)[C@@]1(CI)OCc1cccc(I)c1 2367351584 DFTMOEZOFIZRLN-GRDNDAEWSA-N 496.170 5.438 50 10 JKGE C[C@@H](Oc1ccc2ccccc2c1)C(=O)NNC(=O)COc1ccc(C(C)(C)C)cc1C(C)(C)C 14661799 HSIYRPHVYMBRJY-LJQANCHMSA-N 476.617 5.429 50 10 JKGE Cc1ccc(N2C(=O)[C@@H](Cc3cccc(Cl)c3)S/C2=C(\C#N)C(=O)Nc2ccccc2)cc1 16739828 CGVBDLHDNYDKEI-QPQMVVSWSA-N 473.985 5.713 50 10 JKGE N#C/C(=C(\C=C(/CC(=O)c1ccccc1)c1ccccc1)c1ccccc1)c1ccc([N+](=O)[O-])cc1 34257376 GEWGYCJSARAGGV-GFYHBDFCSA-N 470.528 7.386 50 10 JKGE CCc1ccc(NC(=O)/C(C#N)=C\c2cn(Cc3ccccc3)nc2-c2ccc(OC)cc2)cc1 35003802 NPUHJJYBIDQKPZ-ULJHMMPZSA-N 462.553 5.715 50 10 JKGE Cc1ccc(N2CCN(C(=O)/C(C#N)=C\c3ccc(-c4ccc(Br)cc4)o3)CC2)cc1 36610885 AHHAFUYEAQTQNN-SILNSSARSA-N 476.374 5.273 50 10 JKGE CCCCOc1ccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4ccc([N+](=O)[O-])cc4)ccc32)cc1 38650789 KZKHKDSXVMSCNV-RUZDIDTESA-N 485.496 5.211 50 10 JKGE CSc1ccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)COc4ccc(C)c(C)c4)ccc32)cc1 38682505 YKZORTAEOIVEBZ-SANMLTNESA-N 472.566 5.228 50 10 JKGE CCCCOc1ccccc1[C@H]1C(C#N)=C(N)Oc2cc(OC(=O)c3ccccc3C)ccc21 38682646 AKYXKZWVLRBUGJ-AREMUKBSSA-N 454.526 5.611 50 10 JKGE COc1ccccc1[C@H]1C(C#N)=C(N)Oc2cc(OC(=O)c3oc4cc(C)cc(C)c4c3C)ccc21 38687273 CVNSMXGMGQBUQU-AREMUKBSSA-N 480.520 5.804 50 10 JKGE CCCOc1ccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4oc5ccc(C)cc5c4C)ccc32)cc1 38687538 SRNUCBXFGDFNEU-MHZLTWQESA-N 494.547 6.276 50 10 JKGE CCCCOc1ccccc1[C@H]1C(C#N)=C(N)Oc2cc(OC(=O)c3oc4ccccc4c3C)ccc21 38700783 XTFPJHCOOPTAKT-HHHXNRCGSA-N 494.547 6.358 50 10 JKGE Cc1c(C(=O)Oc2ccc(Cl)cc2Cl)oc2c1/C(=N/NC(=O)Cc1ccccc1)CCC2 40815874 BWJWPUKBRUEIMF-OVVQPSECSA-N 471.340 5.513 50 10 JKGE CCOC(=O)/C(C#N)=C/c1ccc(OC(=O)c2cc3cc(Br)ccc3o2)c(OCC)c1 41007463 GGZKQVYSTDCDKA-CXUHLZMHSA-N 484.302 5.283 50 10 JKGE COc1cc(/C=C(/C#N)c2nc3ccccc3[nH]2)ccc1Oc1ccc([N+](=O)[O-])cc1C(F)(F)F 50838732 KIFNODIHJLWCOZ-GDNBJRDFSA-N 480.402 6.355 50 10 JKGE Cc1ccc(NC(=O)/C(C#N)=C\c2cc(Cl)ccc2OCc2ccc(Cl)cc2Cl)cc1C 59145780 HRHBZOYZFXGECD-GRSHGNNSSA-N 485.798 7.388 50 10 JKGE COc1ccc(C(=O)N/N=C/c2ccccc2Oc2ccc(C(F)(F)F)cc2[N+](=O)[O-])cc1OC 59500342 ISPBYCVSHRXTLC-UVHMKAGCSA-N 489.406 5.187 50 10 JKGE COC(=O)c1ccc(C)c(-c2ccc(/C=N/NC(=O)c3cc4cc(Br)ccc4o3)o2)c1 59680450 SGIGVSXVEMRESO-BRJLIKDPSA-N 481.302 5.314 50 10 JKGE CCOc1cc(/C=C(/C#N)C(=O)NC2CCCCC2)ccc1OCc1ccc(Cl)c(Cl)c1 96466456 TYVNZHFBMQBXBR-UNOMPAQXSA-N 473.400 6.327 50 10 JKGE Fc1ccc(Br)c(C[C@@H](CBr)Cc2ccc(Br)cc2)c1 97183369 NIUXBAQZSYJVRK-LBPRGKRZSA-N 464.998 6.147 50 10 JKGE N#C/C(=C/Nc1cccc(Br)c1)c1nc(-c2ccc(Cl)c(Cl)c2)cs1 100391291 VMYKAOKXHGJJQD-XFXZXTDPSA-N 451.176 6.856 50 10 JKGE CC(C)c1ccc(N2C(=O)[C@@H](Cc3ccccc3F)S/C2=C(/C#N)C(=O)Nc2ccccc2)cc1 101244486 QLHUUIBWHQJKNA-RAMZYJDASA-N 485.584 6.014 50 10 JKGE CCc1ccc(N2C(=O)[C@H](Cc3ccccc3)S/C2=C(/C#N)C(=O)Nc2ccc(C)cc2)cc1 101245883 AOMNXLCJRKKAJP-UZEPBSNMSA-N 467.594 5.622 50 10 JKGE CC1=C(C#N)C(=O)N([C@H](C)c2ccccc2)C(=O)/C1=C/c1ccc(-c2ccc([N+](=O)[O-])cc2)o1 101337797 ZONIRQTUTJTMKT-FEMWLQECSA-N 453.454 5.208 50 10 JKGE CCCCOc1ccc(/C=C(/C#N)C(=O)Oc2ccc(C(=O)OCc3ccccc3)cc2)cc1 103758318 MQHHDYGQEQSTFH-MOHJPFBDSA-N 455.510 5.735 50 10 JKGE Cc1ccccc1-n1c([C@@H](C)N(CCC(C)C)C(=O)C(Cl)Cl)nc2ccccc2c1=O 107584565 SIHFHMXXQMFWDZ-QGZVFWFLSA-N 460.405 5.434 50 10 JKGE CCn1c(=O)oc2cc([C@@H](Cl)c3cc(Br)c(Br)s3)ccc21 128559066 CODJVSGMEOLZCO-GFCCVEGCSA-N 451.567 5.529 50 10 JKGE CC1(C)C(=O)Nc2ccc([C@H](Br)c3csc(I)c3)cc21 157613064 XMHJSBSUTZGXAK-ZDUSSCGKSA-N 462.150 5.067 50 10 JKGE COc1cc(Cl)c([C@H](Br)c2ccc(Br)cc2OC)cc1Cl 164529725 KJBXFCGMLVSTGY-OAHLLOKOSA-N 454.973 6.257 50 10 JKGE CCCCCCOc1ccc(/C=C(\C#N)C(=O)Oc2cccc(/C=C(/C#N)C(=O)OC)c2)cc1OC 206694766 RNXLKCUKJIEMQU-OQRYGUKSSA-N 488.540 5.247 50 10 JKGE N#C/C(=C/NCc1cccc(Br)c1)C(=O)Nc1ccccc1Sc1ccccc1 217244017 ROQLXTBIBXPKKV-VLGSPTGOSA-N 464.388 5.736 50 10 JKGE COc1cc(F)c(Br)cc1[C@@H](Cl)c1ccccc1I 234881128 OMJVRWQCBXPMCI-AWEZNQCLSA-N 455.492 5.530 50 10 JKGE COc1ccccc1C(=O)NN=Cc1ccc(OC(=O)c2sc3ccccc3c2Cl)cc1 254700481 AXBWJVRNEYJPAA-UHFFFAOYSA-N 464.930 5.546 50 10 JKGE CCCCCCCCCCCCCCCCNC(=O)[C@@]12CC[C@@](C)([C@H]1Br)C2(C)C 256019978 PPWOHYCWXKVPIB-ZSQFBXSQSA-N 470.580 8.174 50 10 JKGE Cc1ccc([C@@H](Br)c2cc3c(cc2Br)OCC3)c(Br)c1 308412120 GQHMLDXDTOYAIJ-MRXNPFEDSA-N 460.991 5.939 50 10 JKGE ClCc1coc(Oc2c(I)cc(Cl)cc2I)n1 310266122 BQEKWXCWUWWDQR-UHFFFAOYSA-N 495.869 5.068 50 10 JKGE Fc1ccc(Cl)c(COc2c(Br)cc(Br)cc2CBr)c1 380275677 ARVXOSWFCCFNOE-UHFFFAOYSA-N 487.388 6.478 50 10 JKGE Clc1cc([C@@H](Br)c2cc(I)cc3c2OCC3)cs1 385970200 MHGMDMOLHWMERZ-GFCCVEGCSA-N 455.542 5.425 50 10 JKGE CC(C)(C)[Si](C)(C)OCCc1ccccc1[C@H]1CCCCCN1S(=O)(=O)c1ccccc1 616624992 LYXVITMDBXFKNH-RUZDIDTESA-N 473.755 6.557 50 10 JKGE O=C(NN=Cc1ccc(OCc2ccc(Br)cc2)cc1)c1cccc2ccccc12 1083963667 ZOXCPJUBXAMNBQ-UHFFFAOYSA-N 459.343 5.945 50 10 JKGE C=CCOc1c(Br)cc(/C=C(\C#N)C(=O)Nc2cccc(Cl)c2Cl)cc1CC=C 1083977386 PITJCVIAAQMZTM-LFIBNONCSA-N 492.200 6.595 50 10 JKGE COc1cc(/C=C(/C#N)C(=O)N(C)C)cc(Br)c1OCc1cccc2ccccc12 1083979440 YFLGXOGELFOHKB-ODLFYWEKSA-N 465.347 5.185 50 10 JKGE CO[C@@H](C(=O)NN=Cc1c(Br)c(C)n(-c2ccccc2C)c1C)c1ccccc1 1083991738 KPCIHRZMPGOQKI-JOCHJYFZSA-N 454.368 5.003 50 10 JKGE COc1ccc(NC(=O)C(=O)NN=Cc2cc(C)n(-c3ccc(Cl)c(Cl)c3)c2C)cc1Cl 1084456664 NXXXFOGWNRFZIN-UHFFFAOYSA-N 493.778 5.152 50 10 JKGE C=CCc1cc(C=NNC(=O)c2cc3ccccc3o2)cc(OC)c1OCc1ccccc1F 1084533069 YPIBLIPMOLIGMA-UHFFFAOYSA-N 458.489 5.652 50 10 JKGE Cc1cc(O[C@H](C)C(=O)NN=Cc2cn(Cc3ccccc3)c3ccccc23)cc(C)c1Cl 1772756048 KFZKWWDGUIGOSI-HXUWFJFHSA-N 459.977 5.877 50 10 JKGE CCCc1nn(-c2ccccc2Cl)c2c1[C@H](c1ccc(OCC)c(OC)c1)C(C#N)=C(N)O2 1865695196 MHOIMQPEHCYGQL-JOCHJYFZSA-N 464.953 5.104 50 10 JKGE CCOc1ccc([C@@H]2C(C#N)=C(N)Oc3c2c(C(F)(F)F)nn3-c2ccc(Cl)cc2)cc1OC 1865695892 VGXPKFCKPVULQU-GOSISDBHSA-N 490.869 5.170 50 10 JKGE Cn1cc([C@@H]2C(C#N)=C(N)Oc3c2c(-c2ccccc2)nn3Cc2ccccc2)c2ccccc21 1865699219 NRKVKDWXWCVMNU-VWLOTQADSA-N 457.537 5.308 50 10 JKGE N#CC1=C(N)Oc2c(c(-c3ccccc3)nn2-c2cccc3ccccc23)[C@@H]1c1ccccc1C(=O)O 1865704368 ULBMQMFHDJMWMW-RUZDIDTESA-N 484.515 5.609 50 10 JKGE CC(C)Cn1nc(C(F)(F)F)c2c1OC(N)=C(C#N)[C@H]2c1cccc(OCc2ccccc2)c1 1865712001 NJXXVMKZQMXUIJ-HXUWFJFHSA-N 468.479 5.355 50 10 JKGE CCCc1nn(-c2ccc(OC)cc2)c2c1[C@H](c1cccc(OCc3ccccc3)c1)C(C#N)=C(N)O2 1865712110 PTIHHOYOHKBJKW-HHHXNRCGSA-N 492.579 5.631 50 10 JKGE Cc1ccc(Cn2nc(-c3ccccc3)c3c2OC(N)=C(C#N)[C@@H]3c2ccc([N+](=O)[O-])cc2)cc1 1865712665 DZAXURBNGHOBPV-QHCPKHFHSA-N 463.497 5.033 50 10 JKGE CC(C)(C)[C@@H]1CCc2c(sc(NC(=O)/C(C#N)=C/c3cccc(Br)c3)c2C(N)=O)C1 1866131656 HAJDETUYQWYTOQ-AAWPKVBNSA-N 486.435 5.306 50 10 JKGE Cc1ccc(-c2nc(Nc3ccc(SC#N)cc3)cc(N3CC[C@@H](c4ccco4)C3)n2)cc1 1868321073 UAHXZTGQHPSARC-HXUWFJFHSA-N 453.571 6.356 50 10 JKGE N#CSc1ccc(Nc2cc(N3CCc4cc5ccccc5nc43)nc(-c3cccnc3)n2)cc1 1868565227 XATLVJCWEOTWFS-UHFFFAOYSA-N 473.565 6.098 50 10 JKGE O=C(Oc1ccc2c(=O)c(-c3ccc(Cl)c(Cl)c3)c(C3CCC3)oc2c1)C(Cl)Cl 1871386159 HCQPEOUBTBYIJH-UHFFFAOYSA-N 472.151 6.743 50 10 JKGE CCn1cc(/C=C2\Oc3cc(OCc4cccc(CCl)c4)ccc3C2=O)c2cc(OC)ccc21 1871437207 MAAHRBMUSFUOIY-PPDIBHTLSA-N 473.956 6.604 50 10 JKGE N#C/C(=C(/O)c1ccc(N2CCCC2)c([N+](=O)[O-])c1)c1nc(-c2ccc(F)c(F)c2)cs1 1872751805 UKTUOVHUGPYYNT-QNGOZBTKSA-N 454.458 5.547 50 10 JKGE COC(=O)c1ccc(/C=C/C(O)=C(\C#N)c2nc(-c3ccc(OC)c4ccccc34)cs2)cc1 1872758659 KEVSMWKMNGAHQD-JURBMKICSA-N 468.534 6.265 50 10 JKGE CCCOc1ccc(-c2csc(/C(C#N)=C(\O)c3c(OC)cccc3OC)n2)cc1OCCC 1872818056 LBEDPLYMWHCGEE-BWAHOGKJSA-N 480.586 6.355 50 10 JKGE FC(F)(F)[C@@H]1OC2([C@H](Br)c3cc(Br)sc3Br)CC1C2 1878419376 SJNILZBJERRSHJ-GDUWDCBHSA-N 484.957 5.819 50 10 JKGE BrC[C@@H]1CC2(CCCC2)CN1c1ncc(Br)cc1Br 1912780813 WYYZFQHETTTZHL-NSHDSACASA-N 453.016 5.141 50 10 JKGE C[C@@H](CCl)N(Cc1ccccc1)C(=O)c1ccc(I)c(Br)c1 1914228684 ODQCTWPSYJOVQS-LBPRGKRZSA-N 492.582 5.323 50 10 JKGE CCc1nn(CC)c(CN(Cc2ccccc2)C[C@@H](Br)CC)c1Br 1915123898 BOPKXJTVEYZANY-INIZCTEOSA-N 457.254 5.404 50 10 JKGE Cc1cc(Br)cc([C@H](Cl)c2sc(Br)cc2Br)c1 1922938798 FVKCIFFYSVZTHF-NSHDSACASA-N 459.428 6.672 50 10 JKGE Cc1c(Br)sc([C@@H](Br)c2ccccc2Cl)c1Br 1922943113 UZKZOEMJKNXQRR-JTQLQIEISA-N 459.428 6.719 50 10 JKGE Cc1c(Br)sc([C@H](Br)[C@@H]2[C@H]3[C@H]4CC[C@@H](C4)[C@H]32)c1Br 1922945375 FSHLKVJLBBDMRG-XPRCPLEKSA-N 455.053 6.310 50 10 JKGE Fc1cccc(C[C@@H](Br)c2c(Br)sc(Br)c2Cl)c1 1923037537 DLCKPRXUQUCEPH-MRVPVSSYSA-N 477.418 6.744 50 10 JKGE Clc1c(Br)sc(Br)c1[C@H](Br)C1[C@H]2COC[C@H]12 1923075217 YJOAEMRAHFLIRE-VJJSXZLQSA-N 451.405 5.255 50 10 JKGE C[C@@H](c1ccncc1Br)[C@H](Cl)c1cc(Br)c(Br)s1 1924036364 NLNDNFTWDPAOQQ-KGFZYKRKSA-N 474.443 6.514 50 10 JKGE CC1(C)CC([C@H](Br)c2c(Br)sc(Br)c2Br)C1 1924612238 KRBQTAUVYOFIJV-ZETCQYMHSA-N 495.900 6.908 50 10 JKGE O=S1(=O)CCC[C@@H]([C@H](Br)c2c(Cl)sc(Br)c2Cl)C1 1925547918 XBGXTTPCZXMFIO-VDTYLAMSSA-N 457.036 5.078 50 10 JKGE Clc1sc(Cl)c([C@@H](Cl)c2cccc(Br)c2Br)c1Cl 1925562621 ZDHIIMZPTRRPFN-QMMMGPOBSA-N 469.840 7.562 50 10 JKGE Clc1cccc([C@H](Br)c2c(Cl)sc(Br)c2Cl)c1Cl 1925590218 WXLBLMYETMRLGS-ZETCQYMHSA-N 469.840 7.609 50 10 JKGE CC(C)(C(=O)O)[C@@H](CCCC[C@@H]1CCSS1)NC(=O)OCC1c2ccccc2-c2ccccc21 1951853234 DPMMTCJKNRHSIH-HOYKHHGWSA-N 499.698 6.719 50 10 JKGE CCN(C[C@@](C)(CI)OC1CCC(F)(F)CC1)C(=O)OC(C)(C)C 1995744144 INLDCGTZWOKWCJ-MRXNPFEDSA-N 461.331 5.032 50 10 JKGE Cc1c(Br)sc([C@H](Br)[C@@H]2CC3(CCC3)CO2)c1Br 2047662991 HYYSQXRDLYJXSH-WCBMZHEXSA-N 459.041 5.977 50 10 JKGE C[C@H](CCCCCI)NCc1c(Br)cccc1Br 2054171296 RVXDGPPTRDRVAC-LLVKDONJSA-N 489.033 5.685 50 10 JKGE COc1cc(Cl)c([C@@H](Cl)c2cc(I)sn2)cc1Br 2082384663 JSJMYXJLIGDKQE-LLVKDONJSA-N 478.964 5.500 50 10 JKGE CC(C)(CO[C@@H](CI)c1ccccc1Br)C(F)(F)F 2094247798 ZMRWZXULKGQZSD-NSHDSACASA-N 451.064 5.530 50 10 JKGE Clc1nc(N2C[C@H]3CC[C@H]2[C@@H]2CN(Cc4ccccc4)C[C@H]32)sc1CBr 2099096259 DZTBVKUPKXKBIK-VQHPVUNQSA-N 452.849 5.038 50 10 JKGE CC(C)(CBr)[C@H]1CCCN1Cc1ccc(Br)cc1Br 2099642512 IKNYATWEVFHLNM-CQSZACIVSA-N 454.044 5.597 50 10 JKGE Cc1csc([C@@H](Br)c2cc3c(cc2Br)OCC3)c1Br 2100808966 MEEOCMPRRAJPNB-ZDUSSCGKSA-N 467.020 6.001 50 10 JKGE CN(C[C@H]1CCCN(Cc2ccccc2)C1)c1cc(Br)cc(F)c1CBr 2114268170 UJMLIDDLIVSXKC-QGZVFWFLSA-N 484.251 5.832 50 10 JKGE Cc1cc(Br)c([C@H](Br)C2CC3(C2)CC3(C)C)cc1Br 2127506537 AZBGKFZRHUXTAV-XHYCCTMSSA-N 451.040 6.782 50 10 JKGE Cc1cc(Cl)c(Br)cc1[C@H](Br)c1ccc(Br)c(Cl)c1 2137642917 NANYWVULXVNODM-CQSZACIVSA-N 487.844 7.311 50 10 JKGE CC1(C)[C@H]2CC[C@@H](C2)[C@]1(CBr)Cc1cc(Cl)ccc1I 2146278639 OBTUROIEUTYRGK-GDZNZVCISA-N 467.616 6.325 50 10 JKGE Cc1c(Br)cc(CCl)cc1S(=O)(=O)N(Cc1ccccc1)[C@H](C)C(C)(C)C 2152242692 LKYHRVWQTLNFIX-MRXNPFEDSA-N 472.876 6.122 50 10 JKGE CC1(C)CC(CBr)(CNC(=O)c2cc(Br)cc(Br)c2)C1 2158300628 BBCUFZOIFAZDLA-UHFFFAOYSA-N 468.027 5.143 50 10 JKGE Fc1ccc(Br)c(F)c1CC[C@@H](Br)c1ccc(Br)cc1 2169799091 LRYHKDIYVLCMMB-GFCCVEGCSA-N 468.961 6.559 50 10 JKGE Brc1cc(Br)cc([C@@H](Br)c2ccc(-c3cccs3)s2)c1 2205858891 JCLJQTDGRXMGLR-OAHLLOKOSA-N 493.083 7.486 50 10 JKGE Cc1ccc([C@H](Br)c2ccc(Br)cc2)cc1I 2212991817 CXFGBVWTVXKDFL-CQSZACIVSA-N 465.954 5.846 50 10 JKGE Cc1cc(Br)c([C@@H](Br)c2csc(Br)c2)c(C)c1Cl 2217612876 IZANDCGVIYSHEQ-LBPRGKRZSA-N 473.455 7.028 50 10 JKGE Cc1nn(C)c([C@@H](Cl)c2c(Br)sc(Br)c2Br)c1Cl 2224019496 SRLUDPFPDFCPLI-ZETCQYMHSA-N 497.865 6.059 50 10 JKGE Clc1c(Br)sc(Br)c1[C@H](Br)[C@@H]1OC[C@H]2CCCC[C@H]21 2224947798 PLYPZFXDFCVNMB-JBBGHMQTSA-N 493.486 6.568 50 10 JKGE Cc1c(F)cccc1[C@@H](Br)c1c(Br)cc(Cl)c(Cl)c1Cl 2232515767 CHHBYIYYMZGLKF-GFCCVEGCSA-N 461.383 7.341 50 10 JKGE COc1c(C(C)C)cc(Br)cc1[C@@H](Br)c1coc(Br)c1 2233160771 YHKDDIGMUZLSDC-AWEZNQCLSA-N 466.995 6.421 50 10 JKGE Fc1cc(Br)c(Br)cc1[C@@H](Br)C(C(F)(F)F)C(F)(F)F 2233978249 ZPIFVERHZDVYOE-SSDOTTSWSA-N 496.840 6.528 50 10 JKGE Cc1cc([C@H](Br)c2ccc(C)c(Br)c2C)cc(C)c1Br 2235678947 OSXCTRSOYIDJHM-KRWDZBQOSA-N 461.035 6.930 50 10 JKGE C[C@H](CC(C)(C)C)[C@@H](Br)c1c(F)cc(Br)c(F)c1Br 2272853328 ADZBBOUHQBEWLP-RDDDGLTNSA-N 462.998 6.998 50 10 JKGE CCn1cc(Br)c([C@@H](Br)c2c(Br)cc(C)c(F)c2C)n1 2279155657 MCCBUTSUPRKXGI-LBPRGKRZSA-N 468.990 5.668 50 10 JKGE COc1ccc([C@@H](Br)c2ccc(Cl)c(I)c2)c(C)c1C 2284523839 RDVOCUYCSOEVJF-INIZCTEOSA-N 465.556 6.054 50 10 JKGE COc1ccc([C@@H](Br)[C@@H]2CC3(CCCC3)CO2)cc1I 2284998479 RIXWUOOLMQEDQI-LSDHHAIUSA-N 451.142 5.085 50 10 JKGE COc1ccc([C@@H](Br)c2cccc(C(F)F)c2)cc1I 2285002965 PISJBULXUUDFHS-AWEZNQCLSA-N 453.064 5.722 50 10 JKGE Cc1cc(F)c(Br)cc1[C@@H](Cl)c1cc(Br)c(Br)cc1F 2285944307 SUTMWUTUPKWVOB-CQSZACIVSA-N 489.379 6.889 50 10 JKGE CCOC(=O)c1c(NC=C(C#N)c2nc(-c3ccc(OC)cc3)cs2)sc2c1CCCC2 2296048061 TWXNLUPXTIVVRX-UHFFFAOYSA-N 465.600 5.912 50 10 JKGE Cc1cc(C)cc(Oc2nc3c(C)cccn3c(=O)c2C=C(C#N)c2nc3ccccc3s2)c1 2296543551 LXCGLXYXEGTQJC-UHFFFAOYSA-N 464.550 6.086 50 10 JKGE COc1cc(CN(Cc2ccccc2)[C@H](CBr)C(C)C)c(Br)cn1 2300090613 YTRQTKZBLOBFGQ-GOSISDBHSA-N 456.222 5.274 50 10 JKGE BrCC1(Cc2ccc(I)c(Br)c2)CC2(CC2)C1 2306225295 CZDHBTSXIMFKOI-UHFFFAOYSA-N 469.986 5.552 50 10 JKGE CCOC(=O)COc1ccc(Br)cc1C=C(C#N)C(=O)Nc1cccc(Cl)c1Cl 2313570971 KLMTTXFXDMYPCX-UHFFFAOYSA-N 498.160 5.243 50 10 JKGE Fc1cc(Cl)c(Br)c(Cl)c1[C@H](Br)c1sncc1Br 2313745053 QWIMUXZJKZDFOJ-QMMMGPOBSA-N 498.824 6.598 50 10 JKGE Fc1cc(Cl)c(Br)c(Cl)c1[C@H](Br)c1ccsc1Cl 2313748831 MHEIPEYHUNQUQA-MRVPVSSYSA-N 453.385 7.094 50 10 JKGE N#CC(=Cc1ccc(-n2nc(-c3ccccc3)cc2-c2ccccc2)cc1)C(=O)NCc1ccccc1 2314482176 AEJASFPIPCTHJM-UHFFFAOYSA-N 480.571 6.430 50 10 JKGE Cc1ccc(S(=O)(=O)C(C#N)=Cc2cn(-c3ccccc3)nc2-c2ccc(F)cc2)cc1C 2314522625 QZXJFGJZLIBDPP-UHFFFAOYSA-N 457.530 5.634 50 10 JKGE N#CC1=C(N)Oc2cc(OC(=O)C=Cc3ccccc3)ccc2[C@@H]1c1ccc(Cl)cc1Cl 2314634161 UQVFYMWYWVEBHM-DEOSSOPVSA-N 463.320 5.830 50 10 JKGE Fc1c(Br)cc(Cl)c([C@H](Br)c2ccccc2)c1Br 2315457679 FRNCNBHLYHDALB-LLVKDONJSA-N 457.362 6.488 50 10 JKGE CCOc1ccc(C=CC(=O)Oc2cccc(C=C(C#N)c3ccc(Cl)cc3)c2)cc1OC 2320510982 HWDAPRBDOFAMGQ-UHFFFAOYSA-N 459.929 6.430 50 10 JKGE CC[C@H](NC(=O)C(C#N)=CNc1ccc(Nc2ccccc2)cc1)c1ccc2c(c1)CCCC2 2325092482 YIEHPJFCZSRLSX-NDEPHWFRSA-N 450.586 6.396 50 10 JKGE CCOC(=O)c1c(-c2ccc3c(c2)CCCC3)csc1NC(=O)C(C#N)=Cc1ccc(C)cc1 2329632778 UCPRDOHNTUCDIE-UHFFFAOYSA-N 470.594 6.325 50 10 JKGE CCc1ccc(-c2csc(C(C#N)=C(O)CN3C(=O)c4ccc(Br)cc4C3=O)n2)cc1 2331246046 WDCFQLKMDFUIJV-UHFFFAOYSA-N 494.370 5.224 50 10 JKGE COc1ccc(-c2csc(C(C#N)=C(O)[C@H](C)N3C(=O)c4ccccc4C3=O)n2)c2ccccc12 2331405071 MRQPREIQOJMLHI-HNNXBMFYSA-N 481.533 5.449 50 10 JKGE COc1cc(C=C(C#N)c2nc(-c3ccc(F)c(F)c3)cs2)ccc1OCc1ccccc1 2331462838 WQRMABWZOZLSKL-UHFFFAOYSA-N 460.505 6.740 50 10 JKGE COc1cc(C)c(-c2csc(C(C#N)=Cc3cc(Br)cc(OC)c3O)n2)cc1C(C)C 2331463440 IQDGBLLYKYJBRK-UHFFFAOYSA-N 499.430 6.791 50 10 JKGE CCCCCOc1ccc(C=C(C#N)c2nc(-c3cc(Cl)ccc3Cl)cs2)cc1OCC 2331488615 JISZATMJZQZFLK-UHFFFAOYSA-N 487.452 8.149 50 10 JKGE Fc1c(Br)cc(Cl)c([C@@H](Cl)c2cc(Cl)c(Cl)s2)c1Br 2337087377 YBODMJKPDZFIEZ-VIFPVBQESA-N 487.830 7.701 50 10 JKGE CCCC1([C@@H](Br)c2c(C)cc(Br)c(F)c2Br)CCC1 2339686645 ZTIVEZUEVQYISN-AWEZNQCLSA-N 457.019 7.066 50 10 JKGE Clc1cc(Cl)cc(CC[C@@H](Br)c2ccc(OCc3ccccc3)cc2)c1 2341179455 BLLWDGCVQLGZBK-JOCHJYFZSA-N 450.203 7.641 50 10 JKGE Cc1cc(Br)c([C@@H](Br)c2csc(C)c2Br)c(C)c1F 2343561973 BRHCDVWNEXSVOE-ZDUSSCGKSA-N 471.027 6.822 50 10 JKGE Fc1cc(Cl)c(Br)c(Cl)c1[C@@H](Br)Cc1ccc(Cl)cc1 2360422512 ICUVIMVFUSZIIP-VIFPVBQESA-N 461.383 7.227 50 10 JKGE Fc1c(Br)cc(Cl)c([C@H](Br)[C@@H]2COC3(CCC3)C2)c1Br 2362232439 OFXNIAXGUIYVHK-WRWORJQWSA-N 491.420 6.399 50 10 JKGE BrCCCCCCCCCOCc1cc(Br)cc(Br)c1 2362237751 PZVHRXDPDBLCRX-UHFFFAOYSA-N 471.071 6.854 50 10 JKGE COc1c(Br)cc(C)c([C@H](Br)[C@@H]2CCC3(CC3)C2)c1Br 2365190013 AHKYNNGEXNUGFD-ZWNOBZJWSA-N 467.039 6.545 50 10 JKGE COc1c(Br)cc(C)c([C@H](Br)C2(C)CC(F)(F)C2)c1Br 2365191614 PPIBLRLNPGQUNL-LBPRGKRZSA-N 476.981 6.400 50 10 JKGE Clc1ccc([C@H](Cl)c2ccc3c(c2Br)CCO3)c(I)c1 2365594731 BHSSLKCCHFOTMK-HNNXBMFYSA-N 483.958 5.970 50 10 JKGE CCOc1ccc([C@@H](Br)c2cc(Cl)ccc2I)c(F)c1 2367481692 QNWRGNIMFIEBEC-OAHLLOKOSA-N 469.519 5.967 50 10 JKGE C[C@@H](Br)CN(C(=O)c1c(Br)cccc1Br)C1CCCC1 2368847895 UBRKFHMGMGMVKX-SNVBAGLBSA-N 468.027 5.380 50 10 JKGE Clc1csc([C@H](Br)c2cc3c(cc2Br)OCCC3)c1Cl 2369615292 IHNDAAWDTSWKDJ-GFCCVEGCSA-N 457.014 6.627 50 10 JKGE CC1(C)CC(CBr)(CN=[S@](C)(=O)C[C@H](NC(=O)OC(C)(C)C)C(C)(C)C)C1 2371132542 CEZBXEYZGDDFNC-KUNJGFBQSA-N 467.514 5.225 50 10 JKGE Clc1ccc(I)cc1C[C@H]1CCCCCCCC[C@H]1Br 2380522865 POOMTLGSQWHQCL-CZUORRHYSA-N 469.632 7.001 50 10 JKGE N#C/C(=C/c1cn(CC(=O)NCc2ccco2)c2ccccc12)C(=O)Nc1ccc(Cl)c(Cl)c1 883587 XFMUQEDRCNIHGF-YBEGLDIGSA-N 493.350 5.403 50 10 JKGE Cc1cc(C)c([C@@H]2[C@@H]3CCCC=C3C(C#N)=C(N)C2(C#N)C#N)cc1COc1ccc(F)cc1 2727498 JVMTVKQUNJGPSW-BVAGGSTKSA-N 452.533 5.615 50 10 JKGE O=C(COc1ccc(Cl)cc1)N/N=C/c1ccc(Sc2nc3ccccc3s2)c([N+](=O)[O-])c1 3073333 WLBNVFMAEMNVSN-WYMPLXKRSA-N 498.973 5.538 50 10 JKGE COc1ccc(/C=N/NC(=O)c2cccc(Br)c2)cc1CN1CCCc2ccccc21 3584978 IBHFETZMUSUNGX-JVWAILMASA-N 478.390 5.174 50 10 JKGE Cc1ccc(Cc2cnc(NC(=O)/C(C#N)=C\c3ccc(OCc4ccccc4)cc3)s2)cc1 4465357 JNOVSMVJOFZUDA-IWIPYMOSSA-N 465.578 6.167 50 10 JKGE CC[C@@H](Oc1ccccc1[C@H](C)CC)C(=O)NNC(=O)c1ccc(NC(=O)c2cccc(C)c2)cc1 10683305 VQWLBEOLTCAQQD-CJFMBICVSA-N 487.600 5.379 50 10 JKGE N#C/C(C(=O)Nc1cccc(Cl)c1)=C1\S[C@H](Cc2ccccc2Cl)C(=O)N1c1ccccc1 13584261 FFKSIZPNNCLPDU-IQQNDYETSA-N 494.403 6.058 50 10 JKGE CCCCOc1ccc(C(=O)NNC(=O)c2ccc(OCCC(C)C)cc2)cc1Br 14041306 ZXPKOBSTEDITQB-UHFFFAOYSA-N 477.399 5.128 50 10 JKGE COc1ccc(/C(C#N)=C\c2ccc(OC(=O)c3ccccc3Br)c(OC)c2)cc1 31902222 ZCDCSUDCDJOVBX-AQTBWJFISA-N 464.315 5.750 50 10 JKGE COc1ccc(-c2csc(/C(C#N)=C\c3ccc(OCC(=O)c4ccc(C)cc4)cc3)n2)cc1OC 33470771 HPAWPRVUTWYFNT-UCQKPKSFSA-N 496.588 6.462 50 10 JKGE CCOc1cc(/C=C(/C#N)C(=O)Nc2ccc(NC(C)=O)cc2)ccc1OCc1ccc(F)cc1 35112717 PRUPMQDVNFQIQW-STZFKDTASA-N 473.504 5.307 50 10 JKGE CCc1ccc(OCC(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@@H]3c2cccc(Cl)c2)cc1 38651243 NTSIQVOPNUGUCU-RUZDIDTESA-N 460.917 5.105 50 10 JKGE Cc1ccccc1C(=O)Oc1ccc2c(c1)OC(N)=C(C#N)[C@H]2c1c(Cl)cccc1Cl 38679474 AUQWNXSLLRVCLB-NRFANRHFSA-N 451.309 5.739 50 10 JKGE Cc1c(C(=O)NCc2ccco2)oc2c1/C(=N/NC(=O)C(c1ccccc1)c1ccccc1)CCC2 40815529 HREQOIYHHCZMIL-UQRQXUALSA-N 481.552 5.100 50 10 JKGE CCN(C(=O)c1oc2c(c1C)/C(=N/NC(=O)c1cccc(OC)c1)CCC2)c1cccc(C)c1 40822418 WLHDWFARKYOSHV-XAYXJRQQSA-N 459.546 5.042 50 10 JKGE COc1ccc(/C=C(/C#N)C(=O)Nc2ccc(Cl)c(Cl)c2)cc1OCc1ccccc1Cl 59117493 ZBHNYMPGMRAWIF-YVLHZVERSA-N 487.770 6.780 50 10 JKGE CC(C)C1=CC(=C(C#N)C#N)C=C(/C=C\c2cc3c4c(c2)C(C)(C)CCN4C(C)(C)C[C@@H]3C)O1 101710718 CSANIHVYKOULCA-GWQNQTGSSA-N 453.630 7.271 50 10 JKGE FC(F)(F)c1cccc([C@H](Br)c2cc(Br)ccc2Br)c1 109844602 MYMDEMMWZXLMHV-ZDUSSCGKSA-N 472.924 6.715 50 10 JKGE COc1ccc([C@H](Br)c2csc(I)c2)cc1Br 123457245 MTDWJUIIGJLJHK-LBPRGKRZSA-N 487.982 5.608 50 10 JKGE Fc1ccc([C@@H](Br)c2cccc(I)c2)cc1Br 123781141 BOZSWZWIEXURGF-ZDUSSCGKSA-N 469.917 5.677 50 10 JKGE Cc1nc(CC(CBr)(CBr)c2ccc(Br)cc2)sc1C 124372037 QHPJUQBKXYPUGA-UHFFFAOYSA-N 482.079 5.793 50 10 JKGE Cc1cc(Br)cc(CBr)c1OCc1cc(Br)cs1 160881362 OQIWTGBMXZYKAT-UHFFFAOYSA-N 455.009 6.055 50 10 JKGE Clc1ccc(C(CBr)(CBr)Cc2cncc(Br)c2)cc1 169003420 XJAUKPJBXFUCAM-UHFFFAOYSA-N 482.441 5.768 50 10 JKGE COc1cccc(N(C(=O)CCl)[C@H](C(=O)N[C@@H]2CCCC[C@@H]2C)c2ccccc2Cl)c1 169691531 LUNDUKOWYPIUTK-YTJPUZGESA-N 463.405 5.357 50 10 JKGE FC(F)(F)C(O[C@@H](CI)c1ccc(Br)cc1)C(F)(F)F 226032750 GLNRLCMDKFKQMF-QMMMGPOBSA-N 476.980 5.435 50 10 JKGE C[C@@H]1CC[C@@H](CC(CBr)(CBr)c2ccccc2Br)O1 232063467 UOMCNUMGINUONG-NEPJUHHUSA-N 455.028 5.434 50 10 JKGE CCOc1ccc([C@H](Cl)c2cc(Cl)ccc2I)cc1Br 233802275 SBKFIRJIINYBPV-HNNXBMFYSA-N 485.974 6.434 50 10 JKGE COc1ccc([C@H](Br)c2cc(Cl)cc(Br)c2)cc1Br 234993520 IVJDHMMHZFYXHJ-AWEZNQCLSA-N 469.398 6.358 50 10 JKGE Clc1ccc([C@@H](Cl)c2cc(I)ccc2Br)c(Cl)c1 236041258 FUTRMSSIGFEDNW-CYBMUJFWSA-N 476.366 6.689 50 10 JKGE Fc1cc([C@H](Br)c2cc(Br)ccc2Br)ccc1Cl 236234582 OHKMDRYNFDPIEC-ZDUSSCGKSA-N 457.362 6.488 50 10 JKGE Fc1cc(F)c([C@H](Br)c2cc(Cl)ccc2I)c(F)c1 236256574 SMYSQPKKCNJTJQ-CYBMUJFWSA-N 461.446 5.846 50 10 JKGE CC(C)CCC[C@@H](C)[C@@H]1CC[C@@H]2[C@H]3CC=C4CC[C@@H](OC(=O)CCCl)C[C@]4(C)[C@@H]3CC[C@@]12C 253534611 YALMZSOWQWEZFX-WBAMADLCSA-N 477.173 8.569 50 10 JKGE COc1cc(-c2cc(C(=O)NN=Cc3c[nH]c4ccccc34)[nH]n2)ccc1OCc1ccc(C)cc1 254319671 MJKIBYVXDJVCGN-UHFFFAOYSA-N 479.540 5.218 50 10 JKGE Cc1cc(C=NNC(=O)C(O)(c2ccccc2)c2ccccc2)c(C)n1-c1cccc2ccccc12 254441498 PVZHYOXXWXNJFN-UHFFFAOYSA-N 473.576 5.634 50 10 JKGE CCN(C[C@](C)(CI)OCc1ccccc1Cl)C(=O)OC(C)(C)C 303741112 GMZFYPUQDGZIKR-SFHVURJKSA-N 467.775 5.307 50 10 JKGE COc1ccc([C@@H](Br)c2ccccc2OCc2ccccc2)cc1Br 310837909 HCTQWRIPZYKYRE-OAQYLSRUSA-N 462.181 6.521 50 10 JKGE Br[C@@H](c1cc2sccc2s1)c1cc(I)cc2c1OCC2 380343262 YXWSYBXVQUBBKH-CQSZACIVSA-N 477.186 5.987 50 10 JKGE Cc1ccc(Br)cc1[C@H]1CN(C(=O)OC(C)(C)C)C[C@@H]1CI 382721048 NLJFPYWRVKRUAG-WFASDCNBSA-N 480.184 5.143 50 10 JKGE FC(F)(F)CCC(CBr)(CBr)c1cccc(Br)c1 396528366 JHOPFXFHJFLTCX-UHFFFAOYSA-N 452.934 5.819 50 10 JKGE Cc1cnccc1CCOc1c(Br)cc(Br)cc1CBr 397516951 BGGSTXSACPQTGH-UHFFFAOYSA-N 463.995 5.431 50 10 JKGE Fc1cc(Cl)cc([C@@H](Br)c2cc(Br)sc2Br)c1F 691183376 MXVPTBJUSIKBFC-SECBINFHSA-N 481.381 6.689 50 10 JKGE ClCCc1nc2cccc(Br)c2n1-c1ccc(I)cc1 697728807 CBYRJHXWPNBHHP-UHFFFAOYSA-N 461.528 5.174 50 10 JKGE COCc1cc(Br)c([C@@H](Br)c2ccc(Br)c(F)c2)s1 710902850 NBZGUCQCTOAQIP-LBPRGKRZSA-N 472.999 6.043 50 10 JKGE O=C(NN=C(CSc1nc2ccccc2o1)c1ccc(-c2ccccc2)cc1)c1ccccc1 1083909717 YROJHJWTTCLUBF-UHFFFAOYSA-N 463.562 6.421 50 10 JKGE CC(C)(C)CC(C)(C)c1ccc(OCC(=O)NN=Cc2c[nH]nc2-c2ccccc2)c([N+](=O)[O-])c1 1565517636 WJOCGVAICHNVSQ-UHFFFAOYSA-N 477.565 5.228 50 10 JKGE CC(C)c1ccc([C@@H]2C(C#N)=C(N)Oc3c2c(C(F)(F)F)nn3-c2ccc(Cl)cc2)cc1 1865685751 MGXBROHOUVALMM-GOSISDBHSA-N 458.871 5.886 50 10 JKGE CCCCCOc1ccc([C@@H]2C(C#N)=C(N)Oc3c2c(CCC)nn3Cc2ccc(F)cc2)cc1 1865689480 ALTPEYIRMWEXMN-RUZDIDTESA-N 474.580 5.810 50 10 JKGE CCCCCOc1ccc([C@@H]2C(C#N)=C(N)Oc3c2c(C)nn3Cc2ccccc2)cc1OCC 1865690812 BQZOXWIGOCORLJ-AREMUKBSSA-N 472.589 5.426 50 10 JKGE CCc1nn(Cc2ccccc2Cl)c2c1[C@H](c1cc(Br)ccc1F)C(C#N)=C(N)O2 1865701857 GWHDEKXRGHYHPZ-LJQANCHMSA-N 487.760 5.267 50 10 JKGE CC(C)Oc1ccccc1[C@H]1C(C#N)=C(N)Oc2c1c(C(F)(F)F)nn2-c1ccc(Cl)cc1 1865705083 LRENBYHCCRNUQN-SFHVURJKSA-N 474.870 5.550 50 10 JKGE C/C(=N/NC(=O)c1ccc(-c2ccc(Cl)cc2Cl)nc1C)c1ccc2c(c1)OCCO2 1865763502 OOLGOWNAHNVOOS-WKIKZPBSSA-N 456.329 5.289 50 10 JKGE C/C(=C\c1ccccc1Cl)C(=O)N[C@@H](Cc1ccc(F)cc1)C(=O)Nc1ccc(SC#N)cc1 1866816779 ZHJSXVVZCJNPCB-DTKKNGCVSA-N 493.991 5.822 50 10 JKGE COCCc1nc(Nc2ccc(SC#N)cc2)cc(N2CCO[C@@H](c3ccc(Cl)cc3)C2)n1 1868253285 FERFNNAMVFJEIR-OAQYLSRUSA-N 482.009 5.214 50 10 JKGE CC(C)(C)c1nc(Nc2ccc(SC#N)cc2)cc(N2CCC[C@H](Oc3ccccc3)C2)n1 1868342347 SSUROXGPTXAXSC-NRFANRHFSA-N 459.619 6.139 50 10 JKGE COc1cc2c(cc1OC)[C@@H](C(C)C)N(c1cc(Nc3ccc(SC#N)cc3)nc(C)n1)CC2 1868480315 KNIONLVTHBYIMV-AREMUKBSSA-N 475.618 5.879 50 10 JKGE CCCOC(=O)c1ccc(Oc2c(C)oc3cc(OCc4ccc(CCl)cc4)ccc3c2=O)cc1 1871436660 JYDGSHKDJGCKCL-UHFFFAOYSA-N 492.955 6.778 50 10 JKGE COc1cc(/C=C(\C#N)c2ncccc2[N+](=O)[O-])ccc1OC(=O)c1ccc(Cl)cc1Cl 1872728921 BCFXKUOUWUDOKT-NTEUORMPSA-N 470.268 5.589 50 10 JKGE CCOc1ccccc1OC/C(O)=C(\C#N)c1nc(-c2cccc(Br)c2)cs1 1872746109 SBEACLJAMMBDAK-VLGSPTGOSA-N 457.349 5.843 50 10 JKGE N#C/C(=C(/O)c1ccc2c(c1)C(=O)N(c1ccc(F)cc1)C2=O)c1nc(-c2ccccc2)cs1 1872747385 AAKFLCJVRFRNQG-LNVKXUELSA-N 467.481 5.700 50 10 JKGE CC(C)CN1C(=O)c2ccc(/C(O)=C(\C#N)c3nc(-c4ccc(C(C)(C)C)cc4)cs3)cc2C1=O 1872750557 HAVZCQFZSMQHCF-GYHWCHFESA-N 485.609 6.309 50 10 JKGE CC(C)(C)c1ccc(-c2csc(/C(C#N)=C(\O)c3cc([N+](=O)[O-])cc([N+](=O)[O-])c3)n2)cc1 1872751252 YVHKOMQGIYBVJC-ZZEZOPTASA-N 450.476 5.874 50 10 JKGE COc1cc(C)c(-c2csc(/C(C#N)=C(O)/C=C/c3cccc([N+](=O)[O-])c3)n2)cc1C(C)C 1872753875 REFWDIYNNOQVBE-RYJRFVJXSA-N 461.543 6.665 50 10 JKGE COc1ccc(/C=C(C(/O)=C(\C#N)c2nc(-c3cc(C)cc(C)c3OC)cs2)\c2ccccc2)cc1 1872754672 DCQCSNAJEXQEBT-DOGKOTLKSA-N 494.616 7.478 50 10 JKGE COc1cccc(/C=C(\C#N)c2nc(-c3c(C)c(C)cc(C)c3C)cs2)c1OCc1cccc(C)c1 1872792847 UNEFEFVMKRHALQ-CVKSISIWSA-N 494.660 8.004 50 10 JKGE COc1ccc(Cl)cc1N1C[C@H](/C(O)=C(\C#N)c2nc(-c3cccc([N+](=O)[O-])c3)cs2)CC1=O 1873941141 YDUUBSLILLTKQQ-CHOFAJOMSA-N 496.932 5.226 50 10 JKGE CCN[C@H](c1c(Br)sc(Br)c1Cl)[C@@H]1C[C@@H]1Br 1897148211 WQAIPVDPEDMDPF-FOHZUACHSA-N 452.437 5.361 50 10 JKGE C[C@H](Cl)CN(Cc1ccccc1)C(=O)c1cc(Br)c(Br)s1 1914609670 HAIJPSGAJNXDRE-JTQLQIEISA-N 451.611 5.543 50 10 JKGE C[C@@H](Br)CN(Cc1ccccc1)c1ccc(C(F)(F)F)cc1Br 1914651410 PPWMTJNDRXGEEB-GFCCVEGCSA-N 451.124 6.258 50 10 JKGE CCc1occ(C)c1[C@H](Br)c1c(Br)sc(Br)c1Cl 1923074158 HYNXPMIQZQSSAE-VIFPVBQESA-N 477.443 6.875 50 10 JKGE CC[C@@H](Br)C(=O)Nc1cc(Br)c(Br)c(Br)c1 1938595212 ZKKUNNDNNPTDJA-ZCFIWIBFSA-N 478.804 5.086 50 10 JKGE CCC[C@@H]1C[C@@H]1[C@@H](Br)c1c(Br)sc(Br)c1Br 1992935674 ABFPWNOQVINDRT-GKROBHDKSA-N 495.900 6.908 50 10 JKGE Cc1c(Cl)cc(CN(Cc2ccccc2)[C@@H](CBr)C(C)C)cc1Br 2002243285 YOFXPSXJJSDSMN-FQEVSTJZSA-N 473.680 6.833 50 10 JKGE CCn1cc(Br)c([C@@H](Cl)c2cc(Br)c(Br)s2)n1 2010563003 NHCQHINIVJVSQR-QMMMGPOBSA-N 463.420 5.580 50 10 JKGE Cc1c(Br)ccc([C@@H](Cl)c2cc(Br)cs2)c1Br 2024285420 YTOKKCHIXICDJE-GFCCVEGCSA-N 459.428 6.672 50 10 JKGE CC(C)(C)C(=O)[C@H](Br)Cc1ccc(Cl)c(I)c1Cl 2032957185 NBMQNGWHDYAYAE-MRVPVSSYSA-N 463.968 5.519 50 10 JKGE Cc1sc([C@H](Cl)c2c(Br)cccc2Br)c(C)c1Br 2033091603 SMQVBGJEWISPEU-GFCCVEGCSA-N 473.455 6.981 50 10 JKGE Cn1cc([C@@H](Br)c2cc(C3CC3)c(Br)s2)nc1Br 2033625713 DTSUARXTGUACIY-SNVBAGLBSA-N 455.013 5.368 50 10 JKGE COc1ccc([C@H](Br)c2cc(C)sc2Br)c(Br)c1 2039503104 MZNJBNCFPLFCLC-LBPRGKRZSA-N 455.009 6.074 50 10 JKGE FC1(F)CC2(CC([C@H](Br)c3sc(Br)cc3Br)C2)C1 2040962719 RFJWVKJVDLOFTO-VIFPVBQESA-N 464.995 6.535 50 10 JKGE Brc1cc([C@H](Br)c2cc3ncccc3s2)c(Br)s1 2046389584 AOVBXFPUCLGPHF-NSHDSACASA-N 468.033 6.367 50 10 JKGE Cc1cc(C=C(C#N)C(=O)Nc2cccc(Br)c2)c(C)n1-c1ccc(C(=O)O)cc1 2053527773 WQCMDUBFZYCGMI-UHFFFAOYSA-N 464.319 5.101 50 10 JKGE FC(F)(F)c1c(I)c(CCl)nn1-c1cc(C2CCCCC2)ccn1 2078889748 YISSEGXRKCORIB-UHFFFAOYSA-N 469.676 5.677 50 10 JKGE Cc1sc(Br)c([C@H](Br)c2cccc(F)c2Br)c1C 2082885627 ROLAFHLFVAOSOV-GFCCVEGCSA-N 457.000 6.513 50 10 JKGE COc1c(Br)cc(C)cc1[C@@H](Br)c1ccc(Br)s1 2083447680 UBXHMVDCKJTJSX-GFCCVEGCSA-N 455.009 6.074 50 10 JKGE CC(C)Cc1ccc([C@H](Br)c2cc(Br)ccc2Br)s1 2087333893 YLNPYEUKEGWJTI-OAHLLOKOSA-N 467.064 6.956 50 10 JKGE BrC[C@H](NCc1ccc(Br)cc1Br)C1CCCCC1 2092264802 FMWRKZJSGCEJHT-HNNXBMFYSA-N 454.044 5.645 50 10 JKGE CCn1cc([C@@H](Br)c2cc(C3CC3)c(Br)s2)nc1Br 2094670309 ZOEICOSCTSOUGI-LLVKDONJSA-N 469.040 5.851 50 10 JKGE Cc1sc(Br)cc1[C@H](Br)c1c(Br)cc(F)c(F)c1F 2095697597 ZGRUAUQGFVFRRV-JTQLQIEISA-N 478.953 6.483 50 10 JKGE Clc1nc(N2C[C@@]34CCC[C@]3(CN(Cc3ccccc3)C4)C2)sc1CBr 2099099952 XYJOHPFEQYCLHA-PMACEKPBSA-N 452.849 5.184 50 10 JKGE CCOc1ccc(Br)cc1[C@@H](Br)c1cc(C)sc1Br 2101015141 SUOWNIVSECHCSG-CYBMUJFWSA-N 469.036 6.465 50 10 JKGE F[C@@H](CBr)C1CCN(Cc2ccc(Br)cc2Br)CC1 2106951545 CEAUZHYKJBYVIT-AWEZNQCLSA-N 458.007 5.157 50 10 JKGE BrCc1ccc(Br)cc1N1CCC2(CCN(Cc3ccccc3)C2)CC1 2107028850 BQLHJBYOFJKOEV-UHFFFAOYSA-N 478.272 5.837 50 10 JKGE Fc1cc([C@H](Cl)c2cc(I)ccc2F)c(F)cc1Br 2113357229 CYWRLPKTOOWMBK-CYBMUJFWSA-N 461.446 5.799 50 10 JKGE Clc1cccc([C@H](Br)CCc2cc(Cl)ccc2I)c1 2113481861 WAQFYMVIWLPCQV-CQSZACIVSA-N 469.975 6.667 50 10 JKGE Brc1ccc(Br)c([C@H](Br)c2ccc3nsnc3c2)c1 2120645653 MANBXNRURJYXHM-CYBMUJFWSA-N 462.992 5.701 50 10 JKGE Cc1c(Br)sc([C@@H](Br)[C@@H]2C[C@H]2c2ccccc2)c1Br 2135280247 ZUPOLNJRCFLFTF-LOWVWBTDSA-N 465.048 6.821 50 10 JKGE Cc1cc(Br)c(C)c([C@@H](Br)[C@H]2CC23CCCC3)c1Br 2136375323 UNWQMIYBIQQFLX-ABAIWWIYSA-N 451.040 6.845 50 10 JKGE C[C@]1(COc2c(Br)cc(Br)cc2CBr)CSCCO1 2136554715 MPLWXLPHZBOUGZ-ZDUSSCGKSA-N 475.040 5.007 50 10 JKGE CC[C@]12CO[C@]([C@H](Br)c3cc(Br)c(C)cc3Br)(C1)C2 2140286268 WVOICJBXQNCMIP-KFWWJZLASA-N 453.012 5.915 50 10 JKGE CC(C)c1ccc([C@H](Br)c2ccc(Br)cc2I)cc1 2142287361 MMYICJRBMKFRRO-INIZCTEOSA-N 494.008 6.661 50 10 JKGE Cc1cc(Br)c([C@@H](Br)c2cc(S(C)(=O)=O)cs2)cc1Cl 2149493412 YBZKEODGFKCSGJ-CYBMUJFWSA-N 458.624 5.360 50 10 JKGE CC1(C)CCO[C@@H]1CC(CBr)(CBr)c1cccc(Br)c1 2154273033 BPHVCTQEXHEFCX-CQSZACIVSA-N 469.055 5.682 50 10 JKGE FC1(F)[C@H]2C[C@@H](COc3c(Br)cc(CBr)cc3Br)C[C@H]21 2164313003 HOLJXQOEDQCSAQ-ILWJIGKKSA-N 474.965 5.777 50 10 JKGE C[C@H](Cl)c1nc2ncccc2n1-c1cc(I)ccc1Br 2175998993 XSNMBTKEMXCNQF-QMMMGPOBSA-N 462.516 5.087 50 10 JKGE Clc1cc(Br)cnc1CC(CBr)(CBr)C1CCOCC1 2183581144 HCIRQAGOSZWOAI-UHFFFAOYSA-N 490.461 5.243 50 10 JKGE C[C@@H](Cl)c1nc2cc(I)ccc2n1C[C@@]1(Br)CC1(F)F 2202504618 KJUNNRKBRFLCDI-KRTXAFLBSA-N 475.502 5.113 50 10 JKGE C[C@H](Cl)c1nc2cc(I)ccc2n1C[C@@]1(Br)CC1(F)F 2202504620 KJUNNRKBRFLCDI-MADCSZMMSA-N 475.502 5.113 50 10 JKGE COc1c(Cl)cc(Br)cc1[C@H](Br)c1ccc(Cl)c(Cl)c1 2203003513 NODHBZVBQNJLJO-CYBMUJFWSA-N 459.392 6.902 50 10 JKGE Fc1cc(Br)c(Br)cc1[C@H](Cl)c1ccc(Br)s1 2213492175 MOVFAYAUNTYAKN-NSHDSACASA-N 463.391 6.503 50 10 JKGE BrCc1ccc(N2C[C@@H]3CCC[C@H](C2)N3Cc2ccccc2)cc1Br 2219217501 FQRJAKFQJIFOQN-BGYRXZFFSA-N 464.245 5.587 50 10 JKGE Cc1sc(C[C@H](Br)c2cccc(Br)c2)c(Br)c1C 2221821550 CGQZHNCOFIISJU-LBPRGKRZSA-N 453.037 6.569 50 10 JKGE Cc1cc(Br)c([C@H](Br)CC2CC(F)(F)C2)c(C)c1Br 2227355181 LQLDPXQTOZSCIG-LLVKDONJSA-N 460.982 6.700 50 10 JKGE Cc1cc(Br)c([C@@H](Br)[C@@H]2CCCCC23CC3)c(C)c1Br 2235603323 INXHBDNXSFCYGL-LRDDRELGSA-N 465.067 7.235 50 10 JKGE Cc1cc(Br)c([C@H](Br)C2CC[C@@H]3C[C@H]3CC2)c(C)c1Br 2235613845 BLNMYRTVYOGBIH-PBFPGSCMSA-N 465.067 7.091 50 10 JKGE Cc1cc([C@H](Br)c2cccc(Cl)c2Br)sc1Br 2248095685 FQLBIVCFGNXLCT-LLVKDONJSA-N 459.428 6.719 50 10 JKGE Cc1cc(Br)c([C@H](Br)c2csc(Br)c2)c(C)c1F 2253509683 SFOFNFKQNSNDHV-GFCCVEGCSA-N 457.000 6.513 50 10 JKGE COc1cccc([C@H](Br)c2cc(Br)ccc2Br)c1Cl 2268254567 BSBKSOLXNFMNFR-ZDUSSCGKSA-N 469.398 6.358 50 10 JKGE COc1cccc([C@H](Br)c2sc(Br)c(C)c2Br)c1Cl 2268274681 FCQJKYKWTCUFGE-JTQLQIEISA-N 489.454 6.728 50 10 JKGE Clc1cccc([C@H](Br)c2ccc3c(c2Br)CCO3)c1Br 2283194595 PVXUPSLAWNKOFD-AWEZNQCLSA-N 481.409 6.284 50 10 JKGE C[C@H](Br)CN(CC(C)(C)C)C(=O)c1ccc(Cl)c(I)c1 2288053427 TVECFNNCXOYTKI-JTQLQIEISA-N 472.592 5.216 50 10 JKGE N#CC(=Cc1ccc(-c2ccc(F)cc2)o1)C(=O)Nc1ncc(Cc2ccc(Cl)cc2Cl)s1 2293031330 RVTNFCVAERGSQP-UHFFFAOYSA-N 498.366 6.985 50 10 JKGE O=C(NN=Cc1c2ccccc2cc2ccccc12)C(=Cc1cccs1)NC(=O)c1ccccc1 2293968616 IRXLAMSMWCMDNY-UHFFFAOYSA-N 475.573 5.976 50 10 JKGE COc1ccc([C@@H](Cl)c2cc3sc(Br)cc3s2)cc1Br 2295504418 RQGYOFPBNIKSMC-CQSZACIVSA-N 452.620 6.825 50 10 JKGE COCC1([C@H](Br)c2cc(Br)c(C)cc2Br)CC(F)(F)C1 2295627544 LXMNANRHFVBTKF-GFCCVEGCSA-N 476.981 6.018 50 10 JKGE COC(=O)c1cc(-c2ccccc2)sc1NC(=O)C(C#N)=Cc1cn(C(C)C)c2ccccc12 2295635833 XZVHREJBWQOPJR-UHFFFAOYSA-N 469.566 6.283 50 10 JKGE COc1ccc(NC(=O)C(C#N)=Cc2c(Oc3ccccc3Cl)nc3c(C)cccn3c2=O)cc1 2296720891 OUQURTPBAHPYGJ-UHFFFAOYSA-N 486.915 5.003 50 10 JKGE Clc1cc(I)c([C@@H](Cl)c2ccc(Br)c(Cl)c2)s1 2301085998 JZDZGOFPLZEFEU-JTQLQIEISA-N 482.395 6.750 50 10 JKGE CC(C)[C@H](CBr)COCc1cc(I)ccc1Br 2302646014 FXKVUSXVLTWVLH-LLVKDONJSA-N 475.990 5.237 50 10 JKGE Clc1c(Br)sc(Br)c1[C@@H](Br)[C@@H]1OC[C@@H]2CCC[C@@H]21 2312249084 WRLVLMBWSAOLFV-VBOXYBSHSA-N 479.459 6.178 50 10 JKGE N#CC(=Cc1ccccc1OCc1ccc(Cl)cc1)C(=O)Nc1sc2c(c1C#N)CCCC2 2313631007 ZLZQJLLITTXSCU-UHFFFAOYSA-N 473.985 6.277 50 10 JKGE COc1cc(C=C(C#N)C(=O)Nc2cc([N+](=O)[O-])ccc2Cl)ccc1OCc1ccc(C)cc1 2313681104 IITNSYNMORBFSD-UHFFFAOYSA-N 477.904 5.690 50 10 JKGE Cc1ccc(C(C)C)c(Oc2nc3ccccn3c(=O)c2C=C(C#N)c2nc3ccccc3[nH]2)c1 2314436997 YDVISZAZNHJOBP-UHFFFAOYSA-N 461.525 5.859 50 10 JKGE FC(F)[C@@H]1CCC[C@@H]1[C@H](Br)c1cc(Br)ccc1OCc1ccccc1 2314441911 CYDGTLMPEAFXCP-FCEWJHQRSA-N 474.183 7.146 50 10 JKGE N#CC(=Cc1ccc(-c2ccc([N+](=O)[O-])cc2Cl)o1)c1nc(-c2cccc3ccccc23)cs1 2314456842 BUEDRTASVXZPAU-UHFFFAOYSA-N 483.936 7.849 50 10 JKGE N#CC(=C(O)c1ccc(-c2ccc([N+](=O)[O-])cc2Cl)o1)c1nc(-c2ccc3ccccc3c2)cs1 2314457369 GRZKDSBIZSEZRV-UHFFFAOYSA-N 499.935 7.735 50 10 JKGE Clc1ccccc1C[C@@H](Br)c1ccc(OCc2ccccc2)cc1Br 2314499724 GFUJQVJQTCYXDS-LJQANCHMSA-N 480.627 7.360 50 10 JKGE CC(C)(C)c1ccc(Oc2nc3ccccn3c(=O)c2C=C(C#N)C(=O)Nc2ccc(F)cc2)cc1 2314533884 UOHAALQOHSBBPH-UHFFFAOYSA-N 482.515 5.469 50 10 JKGE CCOc1cc(C=C2C(=O)N(CCc3ccccc3)C(=O)C(C#N)=C2C)ccc1OCc1ccccc1 2314617209 SXXDNDUDXXZMDW-UHFFFAOYSA-N 492.575 5.499 50 10 JKGE COc1ccc(CN2C(=O)C(=Cc3ccc(-c4ccc(Cl)cc4Cl)o3)C(C)=C(C#N)C2=O)cc1 2314617215 TUDSTYSKVFIRPA-UHFFFAOYSA-N 493.346 6.054 50 10 JKGE COC(=O)c1c(NC(=O)C(C#N)=Cc2ccc(C(C)C)cc2)sc(C)c1-c1ccc(F)cc1 2314792839 GWVKVRAPGRZPEP-UHFFFAOYSA-N 462.546 6.318 50 10 JKGE COc1ccc(C[C@@H](Br)c2sccc2Br)c(Br)c1 2316851313 NCUYAJTZBMBTFC-GFCCVEGCSA-N 455.009 5.960 50 10 JKGE COC1(C(F)F)CC([C@@H](Br)c2cc(Br)sc2Br)C1 2320064121 MGFVWOKLBGAYSR-GBZMYTLWSA-N 468.983 5.769 50 10 JKGE CCCCc1ccc(N2C[C@H](C(O)=C(C#N)c3nc(-c4cccc(Cl)c4)cs3)CC2=O)cc1 2331294074 MVYRLKFBSZVRGG-LJQANCHMSA-N 478.017 6.652 50 10 JKGE CCCCCCCOc1ccc(-c2csc(C(C#N)=C(O)Cc3ccc(OC(C)C)cc3)n2)cc1 2331344684 GCFLXDJLKTVYNR-UHFFFAOYSA-N 490.669 7.982 50 10 JKGE COc1cc(C)c(-c2csc(C(C#N)=C(O)c3ccccc3C(=O)c3ccccc3)n2)cc1C 2331402700 HHBBLHHIUKCOKC-UHFFFAOYSA-N 466.562 6.616 50 10 JKGE COc1ccc(-c2csc(C(C#N)=Cc3ccccc3OCc3ccc(Cl)cc3)n2)c(OC)c1 2331473056 CVBIUDLMYWBKQI-UHFFFAOYSA-N 488.996 7.124 50 10 JKGE Cl[C@@H](c1c(Br)sc(Br)c1Br)[C@H]1OC[C@@H]2CCCC[C@H]12 2333520538 NFFCADULSDYORV-NIUASQORSA-N 493.486 6.521 50 10 JKGE Fc1cc(Br)c(Br)cc1[C@H](Br)[C@@H]1CC[C@@H]2C[C@H]1CO2 2334115172 GIGNQAKEORNZII-FSEIGPPCSA-N 456.975 5.602 50 10 JKGE CO[C@@H]1C[C@@]2([C@@H](Br)c3c(F)cc(Br)c(F)c3Br)C[C@@H]12 2334739363 CHYUMLDRNFFZJR-LVUPCCEUSA-N 460.938 5.351 50 10 JKGE CO[C@@H]1CC([C@@H](Br)c2ccc(OCc3ccccc3)cc2Br)C[C@H]1OC 2336041484 ONNQTCNGCSFVGS-NJDAHSKKSA-N 484.228 5.904 50 10 JKGE Fc1c(Br)cc(Cl)c([C@H](Br)C23CC(CCO2)C3)c1Br 2337106537 IZEYUSAKBLYYEY-BZCBFNEHSA-N 477.393 6.009 50 10 JKGE CCCc1sc(Br)cc1[C@@H](Br)c1cc(F)ccc1Br 2338023323 FUHBFSCZKCXIRN-AWEZNQCLSA-N 471.027 6.849 50 10 JKGE CO[C@@H]1CC[C@@H]([C@H](Br)c2c(C)cc(Br)c(F)c2Br)C1 2339687100 RCOMSXKYBSLQSQ-LNLATYFQSA-N 458.991 5.910 50 10 JKGE Cc1cccc(C(CBr)(CBr)Cc2nc(Br)cs2)c1 2342916666 WSOGKVINMXUOKD-UHFFFAOYSA-N 468.052 5.484 50 10 JKGE CN(Cc1c(Br)cccc1Br)C[C@]1(CBr)CC1(F)F 2351890818 PUCUOJNAPRFGHY-GFCCVEGCSA-N 461.970 5.064 50 10 JKGE Fc1cccc([C@H](CBr)Cc2cc(I)ccc2Cl)c1 2352369288 CEHRQWYOLDNTEV-LBPRGKRZSA-N 453.520 5.805 50 10 JKGE Clc1ccc(I)cc1C[C@@H](CBr)C1CCCCCC1 2352369769 IJUANYPBNXXJNI-AWEZNQCLSA-N 455.605 6.469 50 10 JKGE CC(C)C[C@H](CBr)CN=[S@@](C)(=O)C[C@H](NC(=O)OC(C)(C)C)C(C)(C)C 2353825202 ARGZLQBTQRHBNC-MOZQLWJVSA-N 455.503 5.081 50 10 JKGE O=[N+]([O-])c1cc(Oc2cc(Br)cc(Br)c2)ccc1CBr 2364103109 GRRWLGHDRITZPG-UHFFFAOYSA-N 465.923 5.807 50 10 JKGE CCCC[C@H](CC)[C@H](Br)c1c(C)cc(Br)c(OC)c1Br 2365189849 ZADSAWJARPHMPF-FZMZJTMJSA-N 471.071 7.181 50 10 JKGE CC(C)[C@@H](Br)C(C)(C)CNC(=O)c1ccc(Cl)c(I)c1 2365866168 FQUDJXDNNZMCQN-CYBMUJFWSA-N 472.592 5.120 50 10 JKGE CCSc1sc(CC)cc1[C@@H]1C(C#N)=C(N)N(c2ccc(CC)cc2)C2=C1C(=O)CCC2 9982304 IIFPWJBOBRDOEH-HSZRJFAPSA-N 463.672 6.290 50 10 JKGE N#C/C(=C/c1ccc(-c2ccc(F)cc2)o1)C(=O)Nc1ncc(Cc2ccc(Cl)cc2Cl)s1 15357229 RVTNFCVAERGSQP-SXGWCWSVSA-N 498.366 6.985 50 10 JKGE CCOC(=O)c1c(-c2ccc(OC)cc2)csc1NC(=O)/C(C#N)=C\c1ccccc1OC(C)C 33364359 FWTPQQDEUAQERC-ZHZULCJRSA-N 490.581 5.933 50 10 JKGE N#CC1=C(N)Oc2cc(OC(=O)c3ccc(Br)cc3)ccc2[C@@H]1c1ccc(F)cc1 38652470 AJCZSNLUQGPZLH-NRFANRHFSA-N 465.278 5.026 50 10 JKGE CCCOc1ccccc1C(=O)Oc1ccc2c(c1)OC(N)=C(C#N)[C@H]2c1ccc(CC)cc1 38677593 WJLJGBIQCDDWIS-SANMLTNESA-N 454.526 5.475 50 10 JKGE Cc1cc(C)cc(OC(=O)c2oc3c(c2C)/C(=N/NC(=O)c2ccc(-c4ccccc4)cc2)CCC3)c1 40822592 XEWBNFSLEUBGDD-HMZBKAONSA-N 492.575 6.561 50 10 JKGE Cc1ccc(NC(=O)/C(C#N)=C\c2ccc(OCc3ccc4ccccc4c3)c(Br)c2)cc1 59335213 OXSWSEBLVFSTBU-OYKKKHCWSA-N 497.392 7.035 50 10 JKGE Cc1cc(C)c(/C(CSc2nc3ccccc3o2)=N\NC(=O)c2cccc([N+](=O)[O-])c2)cc1C 59460597 DQNWAMKLBVQRFX-QYQHSDTDSA-N 474.542 5.588 50 10 JKGE COc1ccc(Cl)cc1[C@H](Br)c1cc(Br)sc1Br 109869899 NEYOHFUAPLXZJU-NSHDSACASA-N 475.427 6.419 50 10 JKGE O=C1CCCc2cc([C@H](Br)c3csc(I)c3)ccc2N1 124422782 RKBHMWAWAIQITM-HNNXBMFYSA-N 462.150 5.112 50 10 JKGE C[C@](CI)(OCc1cccc(Cl)c1)c1ccccc1Br 162431201 GIZSMEVTWHTWAE-MRXNPFEDSA-N 465.556 5.970 50 10 JKGE Cc1cc(Br)cc(CBr)c1OCc1cc(F)cc(Br)c1 167015992 SJSBFHBKMUSUPM-UHFFFAOYSA-N 466.970 6.133 50 10 JKGE Cc1ccc(C(=O)N/N=C\c2ccc(-n3nc(-c4ccccc4)cc3-c3ccccc3)cc2)cc1 169885957 FNBTTYJADPUNDV-YQYKVWLJSA-N 456.549 6.279 50 10 JKGE CC/C(=C(\c1ccc(OCCCl)cc1)c1ccc(O[Si](C)(C)C(C)(C)C)cc1)c1ccccc1 195782444 ODAPRONGKJOXCU-ZIADKAODSA-N 493.163 9.057 50 10 JKGE in-vitro CC(C)c1ccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)/C=C\c4ccc(C(C)(C)C)cc4)ccc32)cc1 205640848 JHDXUYSLOQUJRB-KFBHMYJPSA-N 492.619 6.944 50 10 JKGE CCOc1ccc(/C=C(/C#N)C(=O)Oc2ccc(C(=O)Nc3ccc(C)cc3)cc2)cc1OC 206287334 RDYNHHLIZRITGD-QNGOZBTKSA-N 456.498 5.167 50 10 JKGE CCCOc1ccc(/C=C(/C#N)C(=O)Nc2ccc(-c3nc4ccc(C)cc4s3)cc2)cc1 206309402 GVXGILCNTBEYMU-PGMHBOJBSA-N 453.567 6.606 50 10 JKGE C[C@H]([c-]1cccc1P(c1ccccc1)c1ccccc1)N(C)P(c1ccccc1)c1ccccc1 206535798 FSNWYFSEEZCIIV-AREMUKBSSA-N 490.547 6.204 50 10 JKGE CCCOc1ccc([C@H](Br)c2cc(F)cc(Br)c2)cc1Br 229008477 NMPXQHPFTCIVGR-INIZCTEOSA-N 480.997 6.624 50 10 JKGE Clc1ccc(C[C@H](Br)c2ccc(Br)cc2Br)cc1 236047317 BOIHVQKRBRKAPS-ZDUSSCGKSA-N 453.399 6.544 50 10 JKGE COc1cc(C=NNC(=O)Cc2cccc3ccccc23)ccc1OC(=O)c1ccc(C)cc1 254628516 YWFIPIFFIFVASM-UHFFFAOYSA-N 452.510 5.069 50 10 JKGE Cc1cc(SCC(=O)NN=C2C[C@H](c3ccccc3)Oc3ccccc32)c(C)cc1Br 254871866 FAYLRPLVHQHGHI-HSZRJFAPSA-N 495.442 6.202 50 10 JKGE CC[C@@H](CC(F)(F)F)[C@@H](Br)c1cc(Br)c(C)cc1Br 402782657 NPBOOJUEPNRRGH-QPUJVOFHSA-N 466.961 6.935 50 10 JKGE CC(C)(C)OC(=O)NCCN1CCCOC[C@@H]1c1ccc(CO[Si](C)(C)C(C)(C)C)cc1 616596626 FIKWEQWIKYYZNR-JOCHJYFZSA-N 464.723 5.497 50 10 JKGE CC(C)(C)OC(=O)NCCN1CCOCC[C@@H]1c1ccc(CCO[Si](C)(C)C(C)(C)C)cc1 616656558 DYFZPHWBYDHSEX-HSZRJFAPSA-N 478.750 5.539 50 10 JKGE CN(C(=O)OC(C)(C)C)c1cccc([C@H]2Cc3ccccc3N(CCO[Si](C)(C)C(C)(C)C)C2)c1 616673109 VJKSZSOPKCEILS-DEOSSOPVSA-N 496.768 7.226 50 10 JKGE C[C@@]12CN(Cc3ccccc3)C[C@H]1CN(c1cc(Br)ccc1CBr)C2 702089685 RDXFXSQSEYYUEM-RXVVDRJESA-N 464.245 5.302 50 10 JKGE Clc1cc2c(c([C@H](Br)c3scc(Br)c3Br)c1)OCC2 707832822 BJYYZGRDKWMVCS-JTQLQIEISA-N 487.438 6.346 50 10 JKGE BrCC(CBr)(Cc1ccccc1)Cc1ncc(Br)s1 713640997 WTCUOZUPKSMEFG-UHFFFAOYSA-N 468.052 5.467 50 10 JKGE COc1cc(/C=C\C(=O)Oc2ccc([N+](=O)[O-])cc2)ccc1OCc1c(Cl)cccc1Cl 1082440799 HURJNWBWNKBBCQ-SDQBBNPISA-N 474.296 6.108 50 10 JKGE COC(=O)c1cccc(Cn2cc(/C=C(\C#N)C(=O)Nc3ccccc3Cl)c3ccccc32)c1 1083936075 SGRIKTHBAAOBCK-XSFVSMFZSA-N 469.928 5.675 50 10 JKGE CCOc1ccc([C@H](O)CCC(=O)NN=Cc2ccc(-c3ccc(Cl)c(Cl)c3)o2)cc1 1084272587 CODKZLGVOUJWRH-OAQYLSRUSA-N 461.345 5.616 50 10 JKGE Cc1cc(C)cc(CSCC(=O)NN=Cc2cc(C)n(-c3ccc(Cl)cc3Cl)c2C)c1 1084288020 JVPWIHGMEIGJEH-UHFFFAOYSA-N 474.457 6.401 50 10 JKGE O=C(CSc1nc2ccccc2s1)NN=Cc1ccc(-c2c(Cl)cccc2Cl)o1 1772723960 GBCOUDHOYBSHHL-UHFFFAOYSA-N 462.383 6.106 50 10 JKGE Cc1c(C(=O)Nc2cccc(Cl)c2Cl)oc2c1C(=NNC(=O)c1ccccc1F)CCC2 1772744613 YLUHGLJKXIWSSI-UHFFFAOYSA-N 474.319 5.757 50 10 JKGE Cc1c(C(=O)N(C)c2ccccc2)oc2c1C(=NNC(=O)C(c1ccccc1)c1ccccc1)CCC2 1772747235 AATRPMXQXXOPFQ-UHFFFAOYSA-N 491.591 5.853 50 10 JKGE Cc1cc(C)c2c(CC(=O)NN=C3CCCc4oc(C(=O)N(C)c5ccccc5)c(C)c43)coc2c1 1772751791 NCEKCPGRNSGKFI-UHFFFAOYSA-N 483.568 5.627 50 10 JKGE CCOC(=O)NN=C1CCCc2oc(C(=O)N(Cc3ccccc3)Cc3ccccc3)c(C)c21 1772751831 ZPOIEZMQAZLRQE-UHFFFAOYSA-N 459.546 5.217 50 10 JKGE CCCc1ccc(OCC(=O)NN=Cc2ccc(OCc3ccccc3Cl)c(OC)c2)cc1 1772752806 CHMROMVENRGUAQ-UHFFFAOYSA-N 466.965 5.409 50 10 JKGE Cc1ccccc1COc1ccc(C=NNC(=O)CSc2nc(-c3ccccc3)cs2)cc1 1772755067 KLTNYSZUFIZQLW-UHFFFAOYSA-N 473.623 5.940 50 10 JKGE CCc1nn(Cc2ccccc2Cl)c2c1[C@H](c1cccc(Br)c1)C(C#N)=C(N)O2 1865684037 LNSBGIKQEQVQFN-LJQANCHMSA-N 469.770 5.128 50 10 JKGE N#CC1=C(N)Oc2c(c(-c3ccccc3)nn2-c2ccccc2Cl)[C@H]1c1c(Cl)cccc1Cl 1865685740 MIYCDSLWIYABFU-HXUWFJFHSA-N 493.781 6.718 50 10 JKGE CCCc1nn(Cc2c(F)cccc2Cl)c2c1[C@H](c1ccccc1OC(C)C)C(C#N)=C(N)O2 1865704672 BKFUPJUOWMNIIO-HSZRJFAPSA-N 480.971 5.682 50 10 JKGE CCc1nn(-c2ccc(Br)cc2)c2c1[C@@H](c1ccccc1OC(C)C)C(C#N)=C(N)O2 1865705208 OSDUSYWZAKXFCU-NRFANRHFSA-N 479.378 5.203 50 10 JKGE N#CC1=C(N)Oc2c(c(-c3ccccc3)nn2-c2cccc(Cl)c2)[C@@H]1c1cccc([N+](=O)[O-])c1 1865705923 JJVXGVZEHKAMJI-OAQYLSRUSA-N 469.888 5.319 50 10 JKGE N#CC1=C(N)Oc2c(c(-c3ccccc3)nn2-c2ccc(Br)cc2)[C@H]1c1ccccc1O 1865708484 XWNPFOXDQVYQJQ-NRFANRHFSA-N 485.341 5.226 50 10 JKGE N#CC1=C(N)Oc2c(c(-c3ccccc3)nn2-c2cccc(Cl)c2)[C@@H]1c1ccc(O)c([N+](=O)[O-])c1 1865714985 SFRMZLZLXJZPKJ-OAQYLSRUSA-N 485.887 5.025 50 10 JKGE Cc1ccc(NC(=O)/C(C#N)=C/c2ccc(Br)cc2)c(-c2cc(F)ccc2O)c1 1866128970 VTDUKDVKFAGPRP-LFIBNONCSA-N 451.295 5.815 50 10 JKGE CSCC[C@@H](NC(=O)/C=C(/c1ccc(C)c(C)c1)C1CC1)C(=O)Nc1ccc(SC#N)cc1 1866692249 MMUHSXUYHGEVAC-CRYHJCRISA-N 479.671 5.547 50 10 JKGE CCc1nc(Nc2ccc(SC#N)cc2)cc(N2CCC(=O)c3cc(C(C)(C)C)ccc32)n1 1868277849 KHMGLZUQHMBHGO-UHFFFAOYSA-N 457.603 6.378 50 10 JKGE CCCc1nc(Nc2ccc(SC#N)cc2)cc(N2CCc3cc4cc(C)ccc4nc32)n1 1868388273 HNWPKISLYJVDMC-UHFFFAOYSA-N 452.587 6.297 50 10 JKGE CCCCc1ccc(N2C[C@H](/C(O)=C(\C#N)c3nc(-c4cccc(OC)c4)cs3)CC2=O)cc1 1872744557 YCYQKIZRNJDHIQ-HZYJKNPPSA-N 473.598 6.007 50 10 JKGE CCOc1cc(/C(O)=C(\C#N)c2nc(-c3ccc(OC)cc3)cs2)cc(OCC)c1OCC 1872746166 VOEOWMKGYLJCBZ-NMWGTECJSA-N 466.559 5.965 50 10 JKGE COc1ccc(/C=C(C(/O)=C(\C#N)c2nc(-c3ccccc3)cs2)\c2ccccc2)cc1OC 1872747595 KTZHAQVZRYNJGU-SXBKVGCKSA-N 466.562 6.861 50 10 JKGE N#C/C(=C(/O)[C@H](Cc1ccccc1)N1C(=O)c2ccccc2C1=O)c1nc(-c2ccccc2)cs1 1872747909 YWOAAWWXXWGDDD-JRURIKFDSA-N 477.545 5.510 50 10 JKGE N#C/C(=C(/O)CCCN1C(=O)c2ccc([N+](=O)[O-])cc2C1=O)c1nc(-c2ccc(Cl)cc2)cs1 1872748182 MFICKXWBFVNLQQ-ZZEZOPTASA-N 494.916 5.241 50 10 JKGE CCCCCCCOc1ccc(-c2csc(/C(C#N)=C(\O)c3ccc(Cl)s3)n2)cc1 1872753448 XKWWQMQKMDCXRW-PYCFMQQDSA-N 459.036 7.824 50 10 JKGE CCOc1ccc(OCC)c(-c2csc(/C(C#N)=C(\O)c3ccccc3C(=O)c3ccccc3)n2)c1 1872754914 PIMNYSRYASSIFY-COOPMVRXSA-N 496.588 6.788 50 10 JKGE CCOc1ccc(OCC)c(-c2csc(/C(C#N)=C(\O)c3ccc(Cl)cc3[N+](=O)[O-])n2)c1 1872755089 YBARKWIOKYBWHJ-FXBPSFAMSA-N 471.922 6.119 50 10 JKGE CCCCOc1ccc(/C=C(\C#N)c2nc(-c3c(C)c(C)cc(C)c3C)cs2)cc1OCC 1872792759 PQQVUYUMXGHABZ-OEAKJJBVSA-N 460.643 7.686 50 10 JKGE COc1cc(/C=C(\C#N)c2nc(-c3cc(Cl)cc(C)c3OC)cs2)cc(Br)c1O 1872794103 KPVGRHMEMFIFIN-WLRTZDKTSA-N 491.794 6.321 50 10 JKGE COc1ccc(-c2csc(/C(C#N)=C/c3cc(Br)ccc3F)n2)c(OC)c1OC 1872795040 JUMTVJLXYYIQLR-MDWZMJQESA-N 475.339 5.802 50 10 JKGE Cc1ccccc1COc1ccc(/C=N/NC(=O)CCCCCNC(=O)OC(C)(C)C)cc1 1873795276 FEMFWTMIWIIYRH-MTDXEUNCSA-N 453.583 5.109 50 10 JKGE O=C(c1c(Br)sc(Br)c1Br)[C@H]1C[C@H]1Br 1877336379 LRNBKOGXKUJXSY-STHAYSLISA-N 467.802 5.002 50 10 JKGE C[C@@H]1C[C@H]1CC[C@H](Br)c1c(Br)sc(Br)c1Cl 1897160859 AABLHMOHTNJKLF-QYNIQEEDSA-N 451.449 6.799 50 10 JKGE CCOc1ccc(Br)cc1[C@@H](Br)c1c(C)nsc1Br 1912974552 IUVMWGHGOBYMSV-GFCCVEGCSA-N 470.024 5.860 50 10 JKGE CC[C@H](Br)CN(Cc1ccccc1)Cc1ccc(I)cc1 1915108655 AZXHCFTZTVNNTM-KRWDZBQOSA-N 458.181 5.467 50 10 JKGE CC(C)[C@H](CBr)N(Cc1ccccc1)C(=O)c1ccc(C(F)(F)F)c(Cl)c1 1915295191 HURWOMRUXVCCHU-SFHVURJKSA-N 462.737 6.421 50 10 JKGE Cc1c(Br)sc([C@H](Cl)Cc2ccc(Br)cc2F)c1Br 1922885282 UFXWRJGKEYDKKF-SECBINFHSA-N 491.445 7.006 50 10 JKGE Brc1cc(Br)c([C@@H](Br)[C@@H]2COc3ccccc32)s1 1922939260 HIXUFOWHFCALBK-PELKAZGASA-N 452.993 5.885 50 10 JKGE COc1ccc([C@H](Br)c2sc(Br)c(C)c2Br)cc1 1922946524 RYZKTIXGVCAFSW-NSHDSACASA-N 455.009 6.074 50 10 JKGE Clc1c(Br)sc(Br)c1[C@@H](Cl)C1C2CC3CC(C2)CC1C3 1923047822 DSJFCDZQTAUHJU-ZQOQPLRDSA-N 459.074 7.279 50 10 JKGE Cc1cc(Br)c(F)c([C@H](Br)Cc2ccncc2Br)c1 1924011797 LXCUYTFCPHLWAS-LLVKDONJSA-N 451.959 5.733 50 10 JKGE Cc1ccc(C[C@H](Cl)c2c(Br)sc(Br)c2Br)cc1 1924585345 KQYXFTFQOAGIEK-VIFPVBQESA-N 473.455 6.867 50 10 JKGE Cc1ccc(Cl)c([C@H](Br)c2cc(I)cc3c2OCC3)c1 1925536399 PACXAGPEHJAAOJ-HNNXBMFYSA-N 463.540 5.672 50 10 JKGE Clc1sc(Br)c(Cl)c1[C@H](Br)C1C2CC3CC(C2)CC1C3 1925601927 YFWNYRKVLDFUBE-MRGWJBNUSA-N 459.074 7.326 50 10 JKGE CN(CCN(Cc1ccccc1)c1nc2ccccc2cc1CBr)Cc1ccccc1 1946825301 AWGUWGJFLUEAPC-UHFFFAOYSA-N 474.446 6.268 50 10 JKGE CC(C)[C@H](CBr)N(Cc1ccccc1)Cc1ncc(Br)cc1Cl 1986200133 BKRXGBPJSMXCSK-SFHVURJKSA-N 460.641 5.919 50 10 JKGE CC[C@H]1CCCCN1C(=O)CSC(Nc1ccccc1F)=C(C#N)c1nc2ccccc2s1 2040466434 BHBXRKZONOAYDG-KRWDZBQOSA-N 480.634 6.264 50 10 JKGE CC(C)(C)OC(=O)Nc1c(Cl)cc(C(=O)NC[C@H]2C[C@@H](Br)C2)cc1Cl 2076195595 YKUFCBSZDYURRP-JGZJWPJOSA-N 452.176 5.244 50 10 JKGE Cc1cc(F)c(Cl)cc1[C@H](Br)c1scc(Br)c1Br 2081925788 AXNJDYLAEQESEB-JTQLQIEISA-N 477.418 6.858 50 10 JKGE Cc1cccc(Br)c1[C@@H](Cl)c1ccc(Br)cc1Br 2083329265 BJOGGHFEDQRCDH-AWEZNQCLSA-N 453.399 6.611 50 10 JKGE Clc1ccccc1[C@H](CBr)Cc1cccc(Br)c1Br 2092335726 PXOHQTNBQZMDEQ-NSHDSACASA-N 467.426 6.586 50 10 JKGE Cc1c(Br)cc(CCl)cc1S(=O)(=O)N(Cc1ccccc1)[C@@H](C)C(C)C 2095908135 GFKJWHNODKMVQF-INIZCTEOSA-N 458.849 5.732 50 10 JKGE Cc1ccc(Oc2c(CBr)ccc(Br)c2Cl)cc1Br 2098110211 LTHOSKBPZMOYGW-UHFFFAOYSA-N 469.398 6.861 50 10 JKGE Brc1ccc(Br)c(CN2C[C@H](Br)CC3(CCC3)C2)c1 2118529263 CMOMWKSZMYZTET-CYBMUJFWSA-N 452.028 5.351 50 10 JKGE O=S(=O)(c1ccc(Cl)c(CBr)c1)N(Cc1ccccc1)CC1CCCC1 2123200201 DWRWHSWAINAOIF-UHFFFAOYSA-N 456.833 5.616 50 10 JKGE Cc1cc(Br)c(C)c([C@@H](Cl)c2ccccc2OCc2ccccc2)c1Br 2136379515 LFMWIKZKWXABTQ-QFIPXVFZSA-N 494.654 7.736 50 10 JKGE Cc1c(Br)ccc([C@@H](Br)c2ccc(Cl)cc2Cl)c1Br 2138852319 NITFSYCNLCNBCZ-AWEZNQCLSA-N 487.844 7.311 50 10 JKGE Cc1c(Br)ccc([C@@H](Br)c2cc3cscc3s2)c1Br 2138860148 AOZMLRHLZYXMTI-CQSZACIVSA-N 481.072 7.281 50 10 JKGE Fc1cc(Cl)c([C@H](Cl)c2cc(Br)ccc2I)cc1Cl 2139424117 MQWWNCCGWBNOTR-ZDUSSCGKSA-N 494.356 6.828 50 10 JKGE Fc1cc([C@@H](Br)Cc2ccccc2I)c(F)c(F)c1F 2143867691 GBNWYJDMTFOJGX-VIFPVBQESA-N 459.018 5.526 50 10 JKGE ClC[C@H](Cc1ccc(Br)cc1)Cc1cccc(Br)c1Br 2148752120 MVSZOZDGSVUERZ-GFCCVEGCSA-N 481.453 6.614 50 10 JKGE BrCc1cc(Br)c(OCCSC2CCCCC2)c(Br)c1 2149123371 IUFCQHKRBWIYDU-UHFFFAOYSA-N 487.095 6.551 50 10 JKGE Brc1cc(Br)cc([C@H](Br)Cc2ccc3c(c2)CCO3)c1 2168652312 GRBWVHSULSWMOG-OAHLLOKOSA-N 460.991 5.825 50 10 JKGE BrC[C@]12CCC[C@H]1N(Cc1cc(Br)ccc1Br)CCC2 2175152589 OPCUYOKEEROGJL-HZPDHXFCSA-N 466.055 5.741 50 10 JKGE Fc1cc(Br)cc(N2CCN(Cc3ccccc3)C[C@@H]2C(F)(F)F)c1CCl 2186709849 HPMLKTJYJZXEDP-GOSISDBHSA-N 465.716 5.580 50 10 JKGE CN(c1cc(Br)cc(F)c1CCl)[C@@H]1C[C@@H]2C[C@H](OCc3ccccc3)C[C@@H]21 2190537641 QHSZQUWMFPKAIL-QUJKESNLSA-N 452.795 6.147 50 10 JKGE CCc1nn(C)c([C@@H](Br)c2sc(COC)cc2Br)c1Br 2192385958 ZLFXYPPSGYOWEW-LLVKDONJSA-N 487.055 5.200 50 10 JKGE COc1cc(C)c([C@H](Br)c2ccc(Br)cc2Cl)cc1Br 2198736569 FZFRUBIEKCMXAQ-OAHLLOKOSA-N 483.425 6.666 50 10 JKGE Fc1cc(Br)c([C@H](Br)c2c(Cl)cccc2Cl)c(F)c1Cl 2201619979 WNUPRVJGBMYTAE-NSHDSACASA-N 465.346 7.172 50 10 JKGE COc1cccc([C@@H](Br)CCc2ccc(I)c(Cl)c2)c1 2208034756 ZGDYQSKHPDXJBY-AWEZNQCLSA-N 465.556 6.022 50 10 JKGE Cn1ncc(Cl)c1[C@H](Br)c1cc(Br)c(Br)cc1F 2218596981 IRSQFBGBPFITQM-SNVBAGLBSA-N 461.354 5.222 50 10 JKGE Cc1ccc(I)c([C@@H](Br)Cc2ccncc2Br)c1 2224056479 XTSAAHNNPCFAJN-LBPRGKRZSA-N 480.969 5.436 50 10 JKGE Cc1cc(Br)c([C@H](Br)c2cc(Br)sc2C)c(C)c1Cl 2224313744 VKLQKDJBGKLNAG-CYBMUJFWSA-N 487.482 7.336 50 10 JKGE Cc1cc(Br)c([C@H](Br)[C@@]23CCOC[C@@H]2C3)c(C)c1Br 2227359991 NXOGXEFSWXIXAR-NZVBXONLSA-N 453.012 5.691 50 10 JKGE Cc1cccc(Br)c1[C@H](Cl)c1c(Br)cc(Cl)c(Cl)c1Cl 2232513229 QBEOVQXFAGRINM-ZDUSSCGKSA-N 477.838 7.808 50 10 JKGE CC1(C)CCCC[C@@H]1[C@H](Br)c1c(Br)cc(Cl)c(Cl)c1Cl 2232514362 UUPKYXUEUJAHAF-PELKAZGASA-N 463.468 8.062 50 10 JKGE C[C@H]1C[C@@H](n2c(CCCl)nc3c(F)cc(Br)cc32)CN1Cc1ccccc1 2232920604 CUFOXXXWPFZKHY-WMLDXEAASA-N 450.783 5.555 50 10 JKGE Cc1cccc([C@H](Br)c2c(Br)cc(C)c(Br)c2C)c1C 2235598314 HKLCUYJLAKNKRI-KRWDZBQOSA-N 461.035 6.930 50 10 JKGE CC1CC(CC[C@H](Br)c2c(Br)sc(Br)c2Cl)C1 2251761793 VNMJPDVHZIVCGR-RRQHEKLDSA-N 465.476 7.189 50 10 JKGE CC(C)CN(C[C@H](C)Br)C(=O)c1scc(Br)c1Br 2259768966 LMBTUZJBNWHONC-QMMMGPOBSA-N 462.045 5.155 50 10 JKGE Cc1cc(Br)c([C@@H](Br)[C@H]2CCC23CCC3)c(C)c1Br 2266140631 PPMUDDIMKKNIAX-ABAIWWIYSA-N 451.040 6.845 50 10 JKGE COc1cc(C)c(Br)c(C)c1[C@@H](Br)c1ccoc1Br 2269619780 IFCNXGRMTOIZJA-ZDUSSCGKSA-N 452.968 5.914 50 10 JKGE C=CC[C@@]1(CBr)CCN(Cc2cccc(Br)c2Br)C1 2272129522 WJRLBLQPJNRORL-HNNXBMFYSA-N 452.028 5.375 50 10 JKGE C[C@@H](Br)CN(Cc1cc(Cl)ccc1I)CC(C)(C)C 2272536362 GEEJKJYTZAVQJX-LLVKDONJSA-N 458.609 5.576 50 10 JKGE CCc1cscc1[C@H](Br)c1c(F)cc(Br)c(F)c1Br 2272732459 GRNLTQNLOHESLS-NSHDSACASA-N 474.990 6.598 50 10 JKGE Cc1cc(Br)c([C@@H](Br)c2ccc(Br)c(F)c2)c(C)c1F 2279147092 REJQXOXWXFRTAT-AWEZNQCLSA-N 468.961 6.591 50 10 JKGE Cc1ccc([C@@H](Br)c2cc(F)c(Br)cc2Cl)c(C)c1Br 2282900326 WKLNDIJYAXQCJF-OAHLLOKOSA-N 485.416 7.105 50 10 JKGE CCOc1cc(C=C(C#N)C(=O)Nc2ccc(Cl)cc2Cl)ccc1I 2294005007 JWMROWFLKSLMQY-UHFFFAOYSA-N 487.124 5.542 50 10 JKGE N#CC(=Cc1cc(Cl)c(OCc2ccc(Cl)cc2)c(Cl)c1)c1nc2ccccc2s1 2295459654 KGXIJBKQKVFMBW-UHFFFAOYSA-N 471.796 7.900 50 10 JKGE N#CC(=Cc1ccc(OCc2ccc(Cl)cc2Cl)cc1)C(=O)NCc1ccc2c(c1)OCO2 2295672625 CJCONABPWCCPKR-UHFFFAOYSA-N 481.335 5.524 50 10 JKGE Cc1ccc2cc(C=C(C#N)c3nc(-c4ccc(Cl)c(Cl)c4)cs3)c(Cl)nc2c1 2297315585 FRNPQTQBSLDSKS-UHFFFAOYSA-N 456.785 7.691 50 10 JKGE CCCOc1c(Br)cc(Br)cc1C=C(C#N)c1nc2ccc(C)cc2[nH]1 2297319467 AXHCCGNTKMIRBP-UHFFFAOYSA-N 475.184 6.249 50 10 JKGE CCCCOC(=O)c1ccc(-c2ccc(C=C(C#N)C(=O)Nc3nc4ccccc4s3)o2)cc1 2297500419 YBPBZHJUTPSNDC-UHFFFAOYSA-N 471.538 6.059 50 10 JKGE CC1=CCCC(C)(C)[C@H]1C=CC(C)=NNC(=O)[C@@H](Oc1ccc([N+](=O)[O-])cc1)c1ccccc1 2297672092 DALOJSKOXGMURY-DQEYMECFSA-N 461.562 6.146 50 10 JKGE C[C@@H]1C[C@H](C[C@@H](Br)c2ccc(OCc3ccccc3)cc2Br)CO1 2299490293 XOMFOCXLATXOPR-IDHHARJASA-N 454.202 6.279 50 10 JKGE CCN[C@@H](c1cc(Br)ccc1OCc1ccccc1)[C@H]1C[C@@H](Br)C1 2299530282 KRRNRQHVAYMSOA-OXFYSEKESA-N 453.218 5.852 50 10 JKGE C[C@H]1CC[C@H]([C@H](Br)c2cc(Br)ccc2OCc2ccccc2)CC1 2299534247 BLZWQJDRHWRJLR-WJPUGNRLSA-N 452.230 7.290 50 10 JKGE CS(=O)(=O)C1CC([C@@H](Br)c2cc(Br)ccc2OCc2ccccc2)C1 2314494094 HCRKWUYBUOELNL-GSQSYGFSSA-N 488.241 5.287 50 10 JKGE Fc1c(Br)cc(Cl)c([C@@H](Br)C[C@@H]2CC23CC3)c1Br 2315445391 LXXWJUABYALYEW-RQJHMYQMSA-N 461.394 6.630 50 10 JKGE ClCc1sc(OCc2cc(I)ccc2Br)nc1Cl 2319165764 VXBTYKXIJHRIPB-UHFFFAOYSA-N 478.964 5.481 50 10 JKGE CCN(C[C@@](C)(CI)O[C@@H]1CCC2(CCCC2)C1)C(=O)OC(C)(C)C 2320508357 MNIAANLGDIWQFF-VQIMIIECSA-N 465.416 5.567 50 10 JKGE CC(C)(C)OC(=O)N1CCC[C@H]1C(=O)NN=Cc1c(OCc2ccc(F)cc2)ccc2ccccc12 2328829478 MACDYANUILHDFG-DEOSSOPVSA-N 491.563 5.408 50 10 JKGE CC[C@H](C)N1C(=O)c2ccc(C(O)=C(C#N)c3nc(-c4ccc(OC)c(C)c4)cs3)cc2C1=O 2331259170 UQVNDGIVZQHPLT-HNNXBMFYSA-N 473.554 5.472 50 10 JKGE COc1ccc(OC)c(C=CC(O)=C(C#N)c2nc(-c3cccc(Br)c3)cs2)c1 2331278857 OXGABDZOLMCCSP-UHFFFAOYSA-N 469.360 6.096 50 10 JKGE CCCCCCOc1ccc(C(O)=C(C#N)c2nc(-c3cc(Cl)c(OC)cc3OC)cs2)cc1 2331377662 ZWOSOMSXVOHIOG-UHFFFAOYSA-N 499.032 7.390 50 10 JKGE CCOc1ccc(-c2csc(C(C#N)=Cc3ccc(OCc4ccccc4C)cc3)n2)cc1 2331440925 CDYZDVXGUGNJKO-UHFFFAOYSA-N 452.579 7.160 50 10 JKGE Cc1cc(Br)c(C)c([C@@H](Br)[C@H]2CC[C@@H]3C[C@@H]3C2)c1Br 2332925236 BXEKTWHFCQFLSI-JBBSTSQOSA-N 451.040 6.701 50 10 JKGE CCOc1ccc([C@@H](Br)c2ccc(OCc3ccccc3)cc2Br)cc1 2336050118 IHYPVJASHKLVBP-JOCHJYFZSA-N 476.208 6.911 50 10 JKGE FC(F)(F)C([C@H](Cl)c1ccc(OCc2ccccc2)cc1Br)C(F)(F)F 2336051886 WHWPCYFWGYHYQR-CQSZACIVSA-N 461.627 7.049 50 10 JKGE ClCc1cc(OCc2ccc(Cl)c(I)c2)ccc1Br 2337271191 TZSHPYPYHAEXEB-UHFFFAOYSA-N 471.947 6.025 50 10 JKGE CCCCCCCCCC[C@@H](Br)c1sc(Cl)cc1I 2338566450 NBVASBHKYFDBIA-GFCCVEGCSA-N 477.677 7.973 50 10 JKGE Fc1c(Br)cc(Cl)c([C@@H](Br)[C@H]2OC[C@@H]3CCC[C@H]23)c1Br 2362230612 ALVYVFVSGPHKHL-OFWXDHLBSA-N 491.420 6.255 50 10 JKGE CCCc1sc(Br)cc1[C@@H](Br)c1cc(Br)ccc1OC 2363269397 SSHRBEDUDXRMKV-HNNXBMFYSA-N 483.063 6.719 50 10 JKGE Cc1cc(Br)c(F)c(Br)c1[C@H](Br)[C@@H]1C[C@]1(C)C(F)(F)F 2365190175 CCAIUANQOJKKFQ-RMUHFYJVSA-N 482.935 6.684 50 10 JKGE Cc1cc(Br)c(F)c(Br)c1[C@H](Br)[C@@H]1COC2(CCC2)C1 2365228070 MEPKUEKJYBPAMD-JOYOIKCWSA-N 471.002 6.054 50 10 JKGE N#C/C(=C1\SC=C(c2ccc(Br)cc2)N1c1ccccc1)c1nnc2n1CCCCC2 12524564 LCOXYUUOZAIZFQ-HIXSDJFHSA-N 490.430 6.211 50 10 JKGE CCSc1sccc1[C@H]1C(C#N)=C(N)N(c2ccc([N+](=O)[O-])cc2Cl)C2=C1C(=O)CCC2 27550440 DKNQUJDKYACPBW-IBGZPJMESA-N 487.006 5.726 50 10 JKGE CC[C@H]1CCc2sc(C(=O)N/N=C(/C)c3ccc(NS(=O)(=O)c4ccc(C)cc4)cc3)cc2C1 33498943 QPLFGLNHTBSFPB-XIPZWBGBSA-N 495.670 5.526 50 10 JKGE COc1ccc(/C=C(/C#N)C(=O)Oc2ccc3c(=O)c(Oc4cc(C)cc(C)c4C)coc3c2)cc1 33745508 SIFMKGMBMRJWHZ-BKUYFWCQSA-N 481.504 6.032 50 10 JKGE C[C@H](Oc1ccc(F)cc1)C(=O)Oc1ccc2c(c1)OC(N)=C(C#N)[C@H]2c1c(F)cccc1Cl 38680448 HNRIAYALCAKOCV-XMHCIUCPSA-N 482.870 5.209 50 10 JKGE CCCOc1ccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4ccccc4)ccc32)cc1OCC 38683743 HHXPDVIFZQXWAF-SANMLTNESA-N 470.525 5.311 50 10 JKGE C=CCOc1cccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)COc4ccc(C(C)C)cc4)ccc32)c1 38684597 XHYRMJULWWRCCO-LJAQVGFWSA-N 496.563 5.577 50 10 JKGE CCCCOc1cccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4ccccc4OCC)ccc32)c1 38685242 NWLBHPRBSWAVJR-MHZLTWQESA-N 484.552 5.702 50 10 JKGE N#C/C(=C\c1ccc(-c2ccc(Br)cc2)o1)C(=O)Nc1ccc(C(F)(F)F)c(Cl)c1 39884866 GLIUDBRVYRNZPB-UKTHLTGXSA-N 495.682 6.927 50 10 JKGE Cc1c(C(=O)Oc2cccc3cccnc23)oc2c1/C(=N/NC(=O)c1cccc(Cl)c1)CCC2 40813365 UUSGBAAFVYBIEE-VUTHCHCSSA-N 473.916 5.479 50 10 JKGE CCCCCCOc1ccc(/C=N/NC(=O)COc2ccc(-c3ccccc3)cc2)cc1OC 40911046 BBHRHVSZELIUIJ-ZTKZIYFRSA-N 460.574 5.850 50 10 JKGE COc1cc(/C=N/NC(=O)COc2c(C)cccc2C)ccc1OCc1c(Cl)cccc1Cl 40911614 NRWSSJRSVYRDQB-XODNFHPESA-N 487.383 5.727 50 10 JKGE COc1cc(/C=N/NC(=O)COc2ccccc2C(C)(C)C)ccc1OCCc1ccccc1 40911669 IKGFQLQYKHJLBG-VUTHCHCSSA-N 460.574 5.143 50 10 JKGE O=C(N/N=C/c1cc2ccccc2nc1Cl)c1ccccc1OCc1ccc(Cl)cc1 48572263 PMCGPIPMAZCDSP-MZJWZYIUSA-N 450.325 5.885 50 10 JKGE CCOc1cc(/C=C(/C#N)C(=O)Nc2ccc(C)cc2)cc(Cl)c1OCc1cccc([N+](=O)[O-])c1 59335578 PASVNRMJWAAHEG-JAIQZWGSSA-N 491.931 6.080 50 10 JKGE N#C/C(=C\c1ccccc1[N+](=O)[O-])c1nc(-c2cc3cc(Cl)cc(Cl)c3oc2=O)cs1 83309421 RGIILDDGSCUDOX-WLRTZDKTSA-N 470.293 6.196 50 10 JKGE Fc1cc2c(cc1Br)nc(CCl)n2-c1cc(Br)ccc1Cl 97399211 AQEIMWQOEMOYFO-UHFFFAOYSA-N 452.936 6.082 50 10 JKGE CCCCCCOc1ccc(C(=O)Oc2ccc([N+](=O)[O-])cc2C=O)cc1Br 100220243 GCQJFIUXBDPXTJ-UHFFFAOYSA-N 450.285 5.348 50 10 JKGE CNC(=O)/C(C#N)=C1\S[C@H](Cc2cc(C(F)(F)F)ccc2Cl)C(=O)N1c1ccc(C)c(C)c1 101240769 PVZTUVHDAAOWOD-YQPBSLOJSA-N 493.938 5.148 50 10 JKGE N#C/C(C(=O)Nc1ccccc1)=C1\S[C@@H](Cc2cccc(Cl)c2)C(=O)N1c1ccc(F)cc1 102973876 ZOPLHOQCVLQMLU-SCIJIFGBSA-N 477.948 5.544 50 10 JKGE C[C@@H](Br)c1ccccc1NC(=O)c1cc(Br)c(Br)s1 125428018 PONBSKTUTAFLNY-SSDOTTSWSA-N 468.008 5.981 50 10 JKGE CC(C)[C@H]1CC[C@@H](C)C[C@H]1O[C@@H](CI)c1cccc(Br)c1 162041490 JFYOHGQBINEJOZ-PILAGYSTSA-N 465.213 6.403 50 10 JKGE CCN(CC)c1ccc(N/C=C(/C#N)C(=O)N2CCN(C(c3ccccc3)c3ccccc3)CC2)cc1 216503603 WDYVQEJUIPESCF-PNHLSOANSA-N 493.655 5.286 50 10 JKGE Cc1cc(I)ccc1N/C=C(/C#N)C(=O)Nc1ccc(Cl)c(Cl)c1 217002898 BEEUKNDMJSQSSE-LUAWRHEFSA-N 472.113 5.365 50 10 JKGE Cc1cccc(N2CCN(/C=C(/C#N)C(=O)Nc3ccc(Oc4ccccc4)cc3)CC2)c1C 217211940 YIFKHYHXARCFIU-ATJXCDBQSA-N 452.558 5.264 50 10 JKGE COc1ccc([C@@H](Br)c2cccc(F)c2Br)c(OC)c1Br 224860567 VOFIOGMVVGSCGZ-LBPRGKRZSA-N 482.969 5.852 50 10 JKGE Clc1cc([C@@H](Br)c2cc(Br)cc3c2OCC3)ccc1Br 228445667 NWFARYNUHJJMGQ-CQSZACIVSA-N 481.409 6.284 50 10 JKGE O=C(NC[C@@H]1CCCC[C@@H]1CBr)c1cc(Br)cc(Br)c1 232463206 QJDOHERBGVICTA-MNOVXSKESA-N 468.027 5.143 50 10 JKGE CC(C)Oc1ccc([C@@H](Br)c2ccc(Br)cc2Br)cc1 232670251 LSCGPOSQDCFMNT-MRXNPFEDSA-N 463.007 6.483 50 10 JKGE CCOc1ccc(C(=O)Oc2ccc3ccccc3c2C=NNC(=O)c2cccc(C)c2)cc1 254615331 HPMOLWZIRPTEJD-UHFFFAOYSA-N 452.510 5.530 50 10 JKGE FC(F)(F)c1csc([C@@H](Br)c2csc(Br)c2)c1Br 302578570 BZCSVIUFHYHTDD-ZETCQYMHSA-N 484.982 6.838 50 10 JKGE Cc1cc(Br)c([C@H](Br)c2cccc(OCc3ccccc3)c2)s1 310015964 NXWSVXGMMIPKNZ-GOSISDBHSA-N 452.211 6.882 50 10 JKGE Cc1ccc(C[C@H](CBr)Cc2ccccc2Br)cc1Br 313692839 JOCSGFCBCXSGML-AWEZNQCLSA-N 461.035 6.316 50 10 JKGE C[C@@H]1CN(Cc2ccccc2)CCN(c2ccc(CBr)cc2Br)C1 323499329 VBJQWIMWBJAEEN-MRXNPFEDSA-N 452.234 5.302 50 10 JKGE Cc1cc(C)c([C@@H](Br)c2ccc(F)c(Br)c2)c(C)c1Br 380321372 ZDQLQCQJJABHRK-INIZCTEOSA-N 464.998 6.760 50 10 JKGE C[C@H]1CCN(c2ccc(CBr)cc2Br)CCN1Cc1ccccc1 382655942 JROUKMARBWKWJS-INIZCTEOSA-N 452.234 5.445 50 10 JKGE BrC[C@@H]1CN(Cc2ccccc2)C[C@@H]1c1cc(Br)cc(Br)c1 382740674 ZHAOOWCOOKMGKI-CRAIPNDOSA-N 488.061 5.822 50 10 JKGE COc1ccc(-c2n[nH]cc2/C=N/NC(=O)[C@@]2(C)CC[C@@H](c3nc4ccccc4[nH]3)C2(C)C)cc1 606630142 QAYXQXJFXJDZNB-AMUOUEDRSA-N 470.577 5.022 50 10 JKGE CCC(F)(F)C(C)(C)[C@H](Br)c1cc(Br)sc1Br 691570264 LBAKPVLNUGGUDD-MRVPVSSYSA-N 455.000 6.781 50 10 JKGE COc1ccc([C@@H](Br)Cc2ccc(Br)cc2F)c(Br)c1 692791926 FNOKOTXWFQSYAO-ZDUSSCGKSA-N 466.970 6.038 50 10 JKGE C[C@@H]1CCN(Cc2ccccc2)C[C@H]1n1c(CCl)nc2cc(I)ccc21 716284615 WYPYUWDOYVAZHJ-FOIQADDNSA-N 479.793 5.463 50 10 JKGE Cc1sc(C)c([C@@H](Cl)c2cc(I)ccc2Br)c1C 722473590 AVEUFFXPKOAPBD-AWEZNQCLSA-N 455.586 6.369 50 10 JKGE Cc1cc(C)nc(SCC(=O)NN=Cc2cc(C)n(-c3cc(Cl)cc(Cl)c3)c2C)n1 725380376 MNFUATSNQNYZLL-UHFFFAOYSA-N 462.406 5.050 50 10 JKGE Cc1cc(C=NNC(=O)[C@H](C)Sc2ccc(Cl)cc2)c(C)n1-c1ccc(Cl)c(Cl)c1 1084153333 BALPXMVWXSCIDE-HNNXBMFYSA-N 480.848 6.685 50 10 JKGE Cc1cc(C=NNC(=O)c2cc3ccccc3cc2O)c(C)n1-c1ccc(Cl)cc1Cl 1084209021 DNPZLAPFOIGJKJ-UHFFFAOYSA-N 452.341 6.024 50 10 JKGE N#C/C(=C/c1ccccc1OCc1cccc(Cl)c1)C(=O)Nc1cccc(C(F)(F)F)c1 1084348398 JMEYUVCKYDHZHR-PDGQHHTCSA-N 456.851 6.483 50 10 JKGE O=C(OCc1ccccc1)N1C[C@H](CBr)[C@H](c2cc(Br)cc([N+](=O)[O-])c2)C1 1614643199 SAHUIHABZUVSOK-YJBOKZPZSA-N 498.171 5.104 50 10 JKGE COc1cc(C=NNC(=O)[C@@H](C)Oc2ccc(C(C)(C)C)cc2)ccc1OCc1ccccc1C 1772755622 AOELFOPJVGRTMJ-OAQYLSRUSA-N 474.601 5.798 50 10 JKGE CCc1ccc(OCCCC(=O)NN=Cc2cccc(Br)c2)c(Br)c1 1772756104 YXAJAVIAMQALNT-UHFFFAOYSA-N 468.189 5.083 50 10 JKGE CC(C)Oc1ccc(C(=O)Nc2cccc3c(OC(=O)Nc4ccc(SC#N)cc4)cccc23)cc1 1858777954 NUDVPKOVKDZPOE-UHFFFAOYSA-N 497.576 7.063 50 10 JKGE CCCCCOc1ccc([C@H]2C(C#N)=C(N)Oc3c2c(C)nn3Cc2cccc(F)c2)cc1OC 1865695405 OHDMPXMIAZYGRV-VWLOTQADSA-N 476.552 5.175 50 10 JKGE CCOc1ccc([C@H]2C(C#N)=C(N)Oc3c2c(C(F)(F)F)nn3-c2cccc(Cl)c2)cc1OC 1865695584 QCIANNRSUNATJY-SFHVURJKSA-N 490.869 5.170 50 10 JKGE CCCc1nn(Cc2ccc(C)cc2)c2c1[C@H](c1ccc(N(CC)CC)cc1)C(C#N)=C(N)O2 1865702676 ZABXXVBLRJVAMP-RUZDIDTESA-N 455.606 5.257 50 10 JKGE COc1ccc([C@H]2C(C#N)=C(N)Oc3c2c(-c2ccccc2)nn3Cc2cc(C)ccc2C)cc1 1865713301 VWWNNQKLAQTOLO-VWLOTQADSA-N 462.553 5.442 50 10 JKGE CC[C@H](NC(=O)C[C@H](c1ccc(C(C)C)cc1)C(C)C)C(=O)Nc1ccc(SC#N)cc1 1866745566 ITWIYTHYXVHYOC-ZEQRLZLVSA-N 451.636 6.046 50 10 JKGE COc1cccc([C@@H](C)CC(=O)N[C@H](Cc2ccc(F)cc2)C(=O)Nc2ccc(SC#N)cc2)c1 1867107479 NZQNSAQCWXJSJF-AVRWGWEMSA-N 491.588 5.267 50 10 JKGE CC(C)[C@H]1c2ccccc2CCN1c1cc(Nc2ccc(SC#N)cc2)nc(-c2ccc(F)cc2)n1 1868456835 URDGOFNFOMFELQ-NDEPHWFRSA-N 495.627 7.359 50 10 JKGE CN(CC(C)(C)C)c1cc(Nc2ccc(SC#N)cc2)nc(-c2ccc(C(C)(C)C)cc2)n1 1868544734 JKTRZNHOFBFADU-UHFFFAOYSA-N 459.663 7.240 50 10 JKGE Cc1cc(OCc2ccc(CCl)cc2)cc2c1C(=O)/C(=C/c1ccc(-c3ccccc3)cc1)O2 1871436662 JZNYRBLBBOTRGR-NTFVMDSBSA-N 466.964 7.596 50 10 JKGE COc1ccc(-c2c(C)oc3cc(OCc4cccc(CCl)c4)c(OC)cc3c2=O)cc1 1871437030 GJIMHCAJHQZQFO-UHFFFAOYSA-N 450.918 6.103 50 10 JKGE COc1ccc(C(C)(C)C)cc1-c1csc(/C(C#N)=C(\O)[C@H](C)N2C(=O)c3ccccc3C2=O)n1 1872751599 OXRPWCKWKZUOID-DCBSDEPNSA-N 487.581 5.594 50 10 JKGE N#C/C(=C(O)\C=C\c1ccc(Cl)cc1Cl)c1nc(-c2ccc(Oc3ccccc3)cc2)cs1 1872753896 SJCGDJNGHDYKCC-YISWRNSRSA-N 491.399 8.415 50 10 JKGE COc1cc(Cl)c(C)cc1-c1csc(/C(C#N)=C(\O)[C@@H](C)N2C(=O)c3ccccc3C2=O)n1 1872755439 NICUOMHUUVGFCQ-PWNVGIJBSA-N 479.945 5.258 50 10 JKGE COc1ccc(-c2csc(/C(C#N)=C(O)/C=C/c3ccc(Cl)cc3Cl)n2)c(OC)c1 1872755491 QDUIQHSWJKQUAX-LLZXCYLFSA-N 459.354 6.640 50 10 JKGE COc1cccc(-c2csc(/C(C#N)=C/c3ccc(OCCCc4ccccc4)c(OC)c3)n2)c1 1872781374 BVCBXHGYITUMQQ-LFVJCYFKSA-N 482.605 6.903 50 10 JKGE CCOc1cc(/C=C(\C#N)c2nc(-c3ccc(C)cc3C)cs2)ccc1OCc1ccccc1C 1872790524 OPAZQXSWOBQRJX-MFKUBSTISA-N 480.633 7.777 50 10 JKGE CC(C)(C)OC(=O)N1CCC[C@@H](C(=O)N/N=C/c2ccc(OCc3ccccc3Cl)cc2)C1 1873499354 QUCYTGOKCOPBKQ-PYNCTGKJSA-N 471.985 5.016 50 10 JKGE COc1ccc(OC)c(-c2csc(/C(C#N)=C(\O)[C@@H](C)Oc3ccc(Cl)cc3Cl)n2)c1 1873920310 CLKOSYWLWOSBBY-IGUAEOCPSA-N 477.369 6.394 50 10 JKGE Cc1cc([C@H](Br)c2c(Br)c(C)nn2C)c(C)cc1Br 1877176493 SDNZDQACJYFNNQ-ZDUSSCGKSA-N 451.000 5.355 50 10 JKGE FC(F)(F)CC[C@H](Br)c1ccc(OCc2ccccc2)cc1Br 1899857319 ATHPAUHSGSTUEK-HNNXBMFYSA-N 452.108 6.807 50 10 JKGE Cc1ccsc1[C@@H](Br)c1ccc(OCc2ccccc2)cc1Br 1899883433 OCFNZIYULNJRBC-SFHVURJKSA-N 452.211 6.882 50 10 JKGE Cc1scc([C@H](Cl)c2cc(Br)sc2Br)c1Br 1902877439 SLOBQRCNQRBRQF-SECBINFHSA-N 465.457 6.734 50 10 JKGE O=C(c1cc(Cl)cc(Br)c1)N(Cc1ccccc1)C1(CBr)CCC1 1915760068 KJEBHRBJRRZIBG-UHFFFAOYSA-N 471.620 6.063 50 10 JKGE Brc1cc(Br)c([C@H](Br)[C@@H]2CCC[C@@H]3CCCC[C@H]32)s1 1922882235 LHYXPSWBEIDRSV-ICUOPCATSA-N 471.096 7.316 50 10 JKGE CCC[C@H](CC(C)C)[C@@H](Br)c1sc(Br)c(C)c1Br 1922893025 CWEXNGVRSVGFKM-ZYHUDNBSSA-N 461.101 7.480 50 10 JKGE Cc1c(Br)sc([C@@H](Br)[C@@H]2COc3ccccc32)c1Br 1922899171 AOASKYJERGKXQJ-SKDRFNHKSA-N 467.020 6.194 50 10 JKGE Clc1c(Br)sc(Br)c1[C@H](Cl)[C@@H]1COc2ccccc2O1 1923050331 SWFKGSLQIFCDQF-WCBMZHEXSA-N 458.986 6.046 50 10 JKGE CC(C)(C)C(C)(C)[C@@H](Br)c1c(Br)sc(Br)c1Cl 1923050695 YNUHCMBIDSECOJ-QMMMGPOBSA-N 467.492 7.435 50 10 JKGE COc1ccc([C@@H](Cl)c2c(Br)sc(Br)c2Cl)cc1OC 1923050723 YQZNPYSYJCPOKR-SNVBAGLBSA-N 461.002 6.272 50 10 JKGE Clc1c(Br)sc(Br)c1[C@H](Br)[C@@H]1C[C@H]2O[C@H]1[C@@H]1C[C@H]21 1923066962 XCOQKHFYBYKKKC-KSIGFXKOSA-N 477.443 5.786 50 10 JKGE CC1(C)[C@@H]([C@@H](Cl)c2c(Br)sc(Br)c2Br)C1(F)F 1924568626 JLCBLSZTBOSZJH-NTSWFWBYSA-N 473.402 6.607 50 10 JKGE CCCC[C@H](C)[C@@H](Cl)c1c(Br)sc(Br)c1Br 1924581248 ZCBZCCXFBCWMTN-IMTBSYHQSA-N 453.465 7.142 50 10 JKGE CCO[C@@H]1C[C@@H]1[C@@H](Br)c1c(Br)sc(Br)c1Br 1924609362 WLDGERLELOWCOO-HBPOCXIASA-N 497.872 5.897 50 10 JKGE Clc1sc(Br)c(Cl)c1[C@@H](Br)c1cc2ccccc2s1 1925587978 CMFMUWZBZWMIBN-JTQLQIEISA-N 457.039 7.516 50 10 JKGE Cc1cc(Br)sc1[C@H](Br)c1cccc(C)c1I 1950207459 HFHNEYAJTYAZLC-LLVKDONJSA-N 486.010 6.216 50 10 JKGE Cc1c(Br)sc([C@H](Br)[C@H]2C[C@@H]2C(F)(F)F)c1Br 1950756719 BEOIHXMMSJMTNG-KZLJYQGOSA-N 456.947 6.216 50 10 JKGE Cc1nn(C)c([C@@H](Br)c2cc(Cl)c(Br)s2)c1Br 2017382513 CNDPPMRNOAEIJR-QMMMGPOBSA-N 463.420 5.453 50 10 JKGE Fc1cccc(F)c1C[C@H](Br)c1csc(Br)c1Br 2032954130 XHDZADISBRMIAO-QMMMGPOBSA-N 460.963 6.230 50 10 JKGE Cn1nc([C@@H](Br)c2cc(Br)c(Cl)cc2F)cc1Br 2036567083 FALSQIUVSJFOKM-NSHDSACASA-N 461.354 5.222 50 10 JKGE N#CC(=Cc1ccc(Cl)cc1Cl)c1n[nH]c(CSc2ncc(C(F)(F)F)cc2Cl)n1 2053541913 SOVODEDUQXQASS-UHFFFAOYSA-N 490.725 6.535 50 10 JKGE COc1cc(F)c([C@@H](Br)c2sccc2Br)cc1Br 2082783080 WVNLGUAXAJGUEV-LLVKDONJSA-N 458.972 5.905 50 10 JKGE Clc1cc(Cl)c(-n2c(Cl)nc(Cl)c2CBr)c(Br)c1 2082905844 OSWORBDKFBAZMA-UHFFFAOYSA-N 453.776 6.143 50 10 JKGE Fc1ccc([C@@H](Cl)c2ccc(Br)cc2Br)c(Br)c1 2083330025 JUVUUXVEKOUJEX-ZDUSSCGKSA-N 457.362 6.441 50 10 JKGE Brc1cc([C@@H](Br)[C@H]2C[C@H]3COC[C@H](C3)C2)sc1Br 2085754176 OPOVSRRZHGFLRW-NHRVJRKFSA-N 459.041 5.772 50 10 JKGE Brc1cc([C@@H](Br)c2ccc(I)cc2)cc2c1OCC2 2090462146 XAPQKMUDTSECEH-AWEZNQCLSA-N 493.964 5.473 50 10 JKGE FC1(F)[C@@H]2CC[C@H]([C@H](Br)c3cc(Br)ccc3Br)C[C@H]21 2090801699 FBCLDUUGYMYHJG-ODDDBGHMSA-N 458.966 6.329 50 10 JKGE C[C@H]1CCO[C@@H]1CCOc1c(Br)cc(CBr)cc1Br 2101105624 VEKKLVHCAUKUOF-TVQRCGJNSA-N 457.000 5.300 50 10 JKGE Cc1cc(Br)c([C@@H](Br)C[C@H]2COC(C)(C)C2)cc1Br 2103185477 BVZYSWWTPWXEQY-YGRLFVJLSA-N 455.028 6.161 50 10 JKGE CC[C@H]1CN(CC2(CBr)CCCCC2)[C@H](CC)CN1C(=O)OCc1ccccc1 2106705257 CAJCYBIARYMAST-YADHBBJMSA-N 465.476 5.843 50 10 JKGE BrC[C@@H]1C[C@@H]2CCC[C@@H]2N1Cc1cccc(Br)c1Br 2108391988 ODZOZLYDNFRVQG-JKOKRWQUSA-N 452.028 5.350 50 10 JKGE O=C(Nc1ccc(Cl)c(I)c1Cl)[C@@H](Br)C1CCCC1 2110729071 WBONWRBIUOXJIJ-JTQLQIEISA-N 476.967 5.490 50 10 JKGE Brc1ccc(Br)c(CN2C[C@@H]3CCC[C@H](C2)C3Br)c1 2118519233 HWZFGVDZUKRNGU-YWXMQNBFSA-N 452.028 5.207 50 10 JKGE Clc1cccc([C@@H](CBr)Cc2ccc(I)c(Cl)c2)c1 2142938747 BCZOCVWHPJWJFN-GFCCVEGCSA-N 469.975 6.319 50 10 JKGE CC1(C)C[C@@H](n2c(CCl)nc3ccc(F)c(Br)c32)[C@H]1OCc1ccccc1 2156372556 GMYITNYTMLUBAG-OXQOHEQNSA-N 451.767 6.233 50 10 JKGE CC1(C)C[C@@H](n2c(CCl)nc3cc(F)c(Br)cc32)[C@@H]1OCc1ccccc1 2156378070 SRTVETWZJNGBQQ-QUCCMNQESA-N 451.767 6.233 50 10 JKGE COc1cc(C)c(Br)cc1[C@@H](Cl)c1cc(I)ccc1F 2169668594 RPKFRLHGYFWXLH-HNNXBMFYSA-N 469.519 5.838 50 10 JKGE CC1(C)CCC[C@@H](CO[C@@H](CI)c2cccc(Br)c2)O1 2185557693 YUMFUDGAWKHCHL-GJZGRUSLSA-N 453.158 5.290 50 10 JKGE COc1cc(Br)c(C(=O)N(Cc2ccccc2)C2(CCl)CCC2)cc1OC 2189045210 VVAKOOUNAGMNKA-UHFFFAOYSA-N 452.776 5.270 50 10 JKGE COc1cc(C)c([C@H](Br)c2cc(Cl)ccc2Br)cc1Br 2198738087 WDMQEJHDSOZIOQ-HNNXBMFYSA-N 483.425 6.666 50 10 JKGE Cc1cc(Br)c(C)c([C@H](Br)[C@@H]2CCCCC2(C)C)c1Br 2201073402 ZZIIBWJAZDKVGE-BLLLJJGKSA-N 467.083 7.481 50 10 JKGE Cc1c(Br)sc([C@H](Cl)[C@]23CCC[C@H]2CS(=O)(=O)C3)c1Br 2201879435 NMVIOBSJQMJJPV-QWRKXWFKSA-N 462.656 5.076 50 10 JKGE COc1ccc([C@H](Br)c2cc(I)ccc2F)c(Cl)c1Cl 2203431598 DHJYHBHLRQNRSQ-LBPRGKRZSA-N 489.937 6.230 50 10 JKGE COCc1ccccc1[C@@H](Br)c1ccc(Br)c(C)c1Br 2203683949 FTOVVDRFXYMYJH-MRXNPFEDSA-N 463.007 6.151 50 10 JKGE Cc1c(Br)ccc([C@H](Br)c2ccc(F)c(F)c2F)c1Br 2203689471 YEVDXGPRCOXUGU-LBPRGKRZSA-N 472.924 6.422 50 10 JKGE COc1cc(F)c(Cl)cc1[C@@H](Cl)c1cc(Br)ccc1I 2207369686 XLWPYYFHCUAUKR-AWEZNQCLSA-N 489.937 6.183 50 10 JKGE Cl[C@H]1CCCC[C@H](c2sc(Br)c(Br)c2Br)C1 2212190425 XKXYWGXZUDXXSE-BQBZGAKWSA-N 451.449 6.691 50 10 JKGE Cc1ccc(C(=O)N(Cc2ccccc2)[C@@H](CCl)C(C)C)cc1I 2212991369 WTDSJEOLRLMNIP-IBGZPJMESA-N 455.767 5.505 50 10 JKGE COC[C@@H]1C[C@@H](Cl)[C@@H](c2sc(Br)c(Br)c2Br)C1 2216414921 WNFDSRKPKIXIRT-LYFYHCNISA-N 467.448 5.783 50 10 JKGE FC(F)(F)[C@@H]1CC[C@@H]1[C@H](Br)c1c(Br)sc(Br)c1Cl 2217676637 SBBDLAAFSGSVON-RPDRRWSUSA-N 491.392 6.951 50 10 JKGE Fc1cc(Br)c(Br)cc1[C@@H](Br)C1CCCCCCC1 2225618018 UBGHMPGAQPKSAF-HNNXBMFYSA-N 457.019 7.147 50 10 JKGE CC(C)[C@@H]1CCC[C@H]1[C@H](Br)c1cc(Br)c(Br)cc1F 2225619205 FVCPRCCXHZDZQJ-WMFXKJRFSA-N 457.019 6.859 50 10 JKGE Fc1cc(Br)c(Br)cc1[C@@H](Br)[C@H]1C[C@@H]2CC[C@H](C1)O2 2225620132 QZKGOKUUNHEVFM-GMAGZHIISA-N 456.975 5.744 50 10 JKGE COc1ccc([C@H](Cl)c2sc(Br)c(C)c2Br)c(Br)c1 2232092742 XUMMGXKJFFOPKL-NSHDSACASA-N 489.454 6.681 50 10 JKGE Cc1ccc(I)c([C@@H](Br)[C@@H](C)c2ccncc2Br)c1 2232216040 OQDKGDLAADBCHR-BONVTDFDSA-N 494.996 5.997 50 10 JKGE Cc1ccc(F)c([C@@H](Br)c2c(Br)cc(Cl)c(Cl)c2Cl)c1 2232509927 FSWRQHBZCZXWDU-GFCCVEGCSA-N 461.383 7.341 50 10 JKGE CCc1cc([C@@H](Br)c2cccc(I)c2)sc1Br 2248011674 DUSIIWKKYQODIS-LBPRGKRZSA-N 486.010 6.162 50 10 JKGE Fc1cc(Br)c(F)c(Br)c1[C@H](Br)C1(Br)CCC1 2250745530 NBYFZCYRBFPRSF-JTQLQIEISA-N 497.797 6.243 50 10 JKGE Cc1cc(Br)c([C@@H](Br)c2cc(Br)co2)c(C)c1Cl 2258148389 POFWYOUJAMVCPN-LBPRGKRZSA-N 457.387 6.559 50 10 JKGE Brc1ccc([C@H](Br)c2cc3sc(Br)cc3s2)cc1 2263617240 DFUUBYKNGKHPLJ-ZDUSSCGKSA-N 467.045 6.972 50 10 JKGE Cc1cc(Cl)c([C@H](Br)c2c(F)cccc2I)cc1C 2267741235 SCHIOYGOHJFLEB-HNNXBMFYSA-N 453.520 6.185 50 10 JKGE Cc1sc([C@@H](Br)c2cc(F)c(Br)cc2Cl)c(Br)c1C 2267748289 GESOEGCIPATHTJ-LBPRGKRZSA-N 491.445 7.167 50 10 JKGE CC1(C)OCCC[C@@H]1[C@@H](Br)Cc1cc(Br)cc(Br)c1 2277952915 LKWXASXHOCRPFE-KGLIPLIRSA-N 455.028 5.723 50 10 JKGE CC[C@@H](C(F)(F)F)C(CBr)(CBr)c1ccccc1Br 2278445399 IHGOJGMUJCWRAT-LLVKDONJSA-N 466.961 6.065 50 10 JKGE O=C1Cc2cc([C@@H](Cl)c3scc(Br)c3Cl)c(Br)cc2N1 2279288600 UKNIIZNFJLHDGP-LLVKDONJSA-N 455.986 5.749 50 10 JKGE CCCCCCc1ccc([C@@H](Br)c2scc(Br)c2Cl)s1 2279293606 PCOXRCAYSLXZCJ-CYBMUJFWSA-N 456.696 7.833 50 10 JKGE Cc1cc(C)c([C@@H](Cl)c2c(F)cccc2I)c(C)c1Br 2282782698 CUAVPWGGCKMAPR-MRXNPFEDSA-N 467.547 6.446 50 10 JKGE COc1ccc([C@H](Br)C2(CC(C)C)CCCC2)cc1I 2285006892 HGAJIBSHZCRDNI-INIZCTEOSA-N 451.186 6.342 50 10 JKGE COc1ccc([C@@H](Br)C[C@H](C(F)F)C(C)(C)C)cc1I 2285010226 QMWXOJWUFUCION-MNOVXSKESA-N 461.128 6.053 50 10 JKGE C[C@H]1CCC[C@](CI)(OCc2c(F)cc(Br)cc2F)C1 2287181226 UAJHJNGNBIWAEA-BONVTDFDSA-N 459.112 5.628 50 10 JKGE COc1cc(C=C(C#N)C(=O)Nc2ccc3ccccc3c2)c([N+](=O)[O-])cc1OCc1ccccc1 2294156066 JRXALKRYKVEEKI-UHFFFAOYSA-N 479.492 5.881 50 10 JKGE COc1cc([N+](=O)[O-])ccc1-c1ccc(C=C(C#N)C(=O)Nc2cccc(Br)c2)o1 2294171997 RSQJDNVGJAYNGS-UHFFFAOYSA-N 468.263 5.172 50 10 JKGE C[C@H]1C[C@@H](C(F)(F)F)N(CCCCCCCBr)CCN1C(=O)OC(C)(C)C 2294697534 SBWNIEKDRPXZKE-HOTGVXAUSA-N 459.391 5.594 50 10 JKGE COc1cccc(-c2csc(C(C#N)=CNc3ccc(S(=O)(=O)Nc4nccs4)cc3)n2)c1 2296789950 DLRMHHMSUGPDQI-UHFFFAOYSA-N 495.611 5.053 50 10 JKGE Cn1nc(Br)c([C@@H](Cl)c2cc(Br)ccc2OCc2ccccc2)n1 2299497072 WJMQIQPUKZJICF-HNNXBMFYSA-N 471.580 5.247 50 10 JKGE CCc1ccccc1NC(=O)C(C#N)=Cc1cc(Cl)ccc1OCc1cccc(Cl)c1 2313675767 PTSMMOXPMVOANV-UHFFFAOYSA-N 451.353 6.680 50 10 JKGE Brc1cc(OCc2ccccc2)ccc1[C@H](Br)[C@@H]1C[C@H]2O[C@H]1[C@H]1C[C@@H]12 2314456283 VVQDKKVONHBDMF-POBLZQCHSA-N 464.197 5.888 50 10 JKGE CCOc1ccc(NC(=O)C(C#N)=Cc2cn(-c3ccccc3)nc2-c2cccc(OCC)c2)cc1 2314476152 JMWJRUBJTMMATG-UHFFFAOYSA-N 478.552 5.882 50 10 JKGE Cc1cccn2c(=O)c(C=C(C#N)C(=O)Nc3ccc(F)cc3)c(Oc3ccc(Cl)cc3)nc12 2314532824 MRKOTKVPHLTXCH-UHFFFAOYSA-N 474.879 5.133 50 10 JKGE Cc1cccc(NC(=O)C(C#N)=C2S[C@@H](Cc3ccc(F)cc3)C(=O)N2c2ccc(C)c(C)c2)c1 2314591892 GXVVJVNVRGOFPK-VWLOTQADSA-N 485.584 5.816 50 10 JKGE CCOc1cc(C=NNC(=O)Nc2ccccc2)ccc1OCc1ccc(Cl)c(Cl)c1 2323063511 WDIXWVDBIRPACH-UHFFFAOYSA-N 458.345 6.127 50 10 JKGE CCCCc1nc(CC(=O)NN=Cc2c(C(C)C)nc3c(Cl)cc(C(F)(F)F)cn23)cs1 2325902233 NMAPHSHNPLNYJX-UHFFFAOYSA-N 485.963 5.622 50 10 JKGE CC(C)(C)c1csc(C(C#N)=C(O)c2cc(S(=O)(=O)N3CCCCC3)ccc2Cl)n1 2331308270 RGTIMEVJSVVINN-UHFFFAOYSA-N 466.028 5.218 50 10 JKGE COC(=O)c1ccccc1N1C[C@H](C(O)=C(C#N)c2nc(-c3ccc(C)c(C)c3)cs2)CC1=O 2331382515 BVFNZAKGFIBRGM-GOSISDBHSA-N 473.554 5.059 50 10 JKGE COc1c(C)cc(Cl)cc1-c1csc(C(C#N)=C(O)[C@@H](C)N2C(=O)c3ccccc3C2=O)n1 2331391928 VYAQPHGYIRUJNT-CYBMUJFWSA-N 479.945 5.258 50 10 JKGE COc1cc(C)c(-c2csc(C(C#N)=C(O)C(=Cc3ccccc3)c3ccccc3)n2)cc1C 2331402802 SZVOQZAXVWTADB-UHFFFAOYSA-N 464.590 7.469 50 10 JKGE Cc1cc(Br)c(C)c([C@H](Br)[C@@H]2C[C@@H]3CC[C@H]2O3)c1Br 2332925877 SPFBUWXGXWFFGJ-PETRGTFGSA-N 453.012 5.832 50 10 JKGE FC1(F)C[C@]12CC[C@H]([C@@H](Br)c1ccc(OCc3ccccc3)cc1Br)C2 2336081936 WDILEJYLTBAHSE-CWFSZBLJSA-N 486.194 7.290 50 10 JKGE Brc1cc(OCc2ccccc2)ccc1[C@H](Br)[C@@H]1C[C@@H]1c1ccccc1 2336082475 AIQFUXZXJAHXCI-XPNTWCBSSA-N 472.220 7.268 50 10 JKGE Fc1c(Br)cc(Cl)c([C@@H](Br)C[C@@H]2C[C@H]3C[C@H]3C2)c1Br 2337085302 WQXQESJBEASKGZ-KZVJFYERSA-N 475.421 6.876 50 10 JKGE CC(C)C1CC([C@@H](Br)c2c(Cl)cc(Br)c(F)c2Br)C1 2337090073 ILQJTARBVROYII-WZQIAMPNSA-N 477.437 7.122 50 10 JKGE C[C@@H]1Cc2cc(Br)cc([C@@H](Br)c3cnsc3Br)c2O1 2337333889 GISZBQQHLKMGJP-KSBSHMNSSA-N 468.008 5.476 50 10 JKGE CCC[C@@H]1C[C@H]1[C@H](Br)c1c(C)cc(Br)c(OC)c1Br 2339659060 OLXFGSDFIGKFTP-BREBYQMCSA-N 455.028 6.401 50 10 JKGE CCc1cc(Br)c(OC)c([C@@H](Cl)c2csc(I)c2)c1 2353029345 LSNGASOXGJRBGI-ZDUSSCGKSA-N 471.585 6.014 50 10 JKGE CCc1cc(Br)c(OC)c([C@H](Br)c2cscc2Br)c1 2353039543 IPPMLEFCDHOTMN-ZDUSSCGKSA-N 469.036 6.328 50 10 JKGE Fc1c(Br)cc(Cl)c([C@@H](Br)[C@H]2Cc3ccccc32)c1Br 2362258233 OQLKXUFRVYBDME-ZANVPECISA-N 483.400 6.780 50 10 JKGE COc1ccc([C@H](Br)c2ccc(Cl)cc2I)cc1OC 2365591333 GOBUSOJFRDJVBQ-HNNXBMFYSA-N 467.528 5.446 50 10 JKGE Clc1ccc(CN2C[C@H](Br)CC23CCCCC3)c(I)c1 2366713925 DDKZKNHQPUWHAZ-CYBMUJFWSA-N 468.604 5.617 50 10 JKGE Clc1ccc(C[C@@]2(CBr)C[C@H]3C=C[C@H]2CCC3)c(I)c1 2366730473 VUHPFCMTFGHOKM-SUYBPPKGSA-N 465.600 6.245 50 10 JKGE Fc1ccc(OCc2cc(I)ccc2Br)c(CCl)c1Cl 2367519581 KEMQYOZNPNGABZ-UHFFFAOYSA-N 489.937 6.164 50 10 JKGE Clc1cccc(C[C@@H](CBr)Cc2cc(I)ccc2Cl)c1 2380531838 VGANWCXARWMBST-GFCCVEGCSA-N 484.002 6.394 50 10 JKGE Cc1cc(Br)c(C)c([C@H](Br)[C@H]2C[C@@H](C(F)(F)F)C2)c1Br 2380886954 GUYGCULMJMOUHK-VYUIOLGVSA-N 478.972 6.853 50 10 JKGE N#C/C(=C/c1cccc(OC(=O)CCCN2C(=O)c3ccccc3C2=O)c1)c1ccc(Cl)cc1 31903062 UCKITIFCFMGQQQ-HKWRFOASSA-N 470.912 5.386 50 10 JKGE CC(C)(C)c1ccc(Oc2nc3ccccn3c(=O)c2/C=C(/C#N)c2nc3ccccc3[nH]2)cc1 33249077 UQUGFARTVWSTCN-VLGSPTGOSA-N 461.525 5.725 50 10 JKGE COc1cc(/C=C(/C#N)C(=O)NC(C)C)ccc1OC(=O)/C=C/c1ccc(OCc2ccccc2)cc1 33285796 BQZRBQQHRKULBW-YAGNTRJFSA-N 496.563 5.325 50 10 JKGE CC(C)(C)c1ccc(OCCOc2ccc(/C=C(/C#N)C(=O)NCc3ccccc3)cc2)cc1 33458753 LSYKDZFVGUHVNF-CLCOLTQESA-N 454.570 5.665 50 10 JKGE CCCSc1ccc(-c2nn(-c3ccccc3)cc2/C=C(\C#N)C(=O)NC[C@@H]2CCCO2)cc1 33698978 MQNBFILSWWYZED-VGBYGFDOSA-N 472.614 5.244 50 10 JKGE COc1cc(/C=C(/C#N)C(=O)Nc2ccc3ccccc3c2)ccc1OCC(=O)Nc1ccccc1 35519965 GDZQIQMNTITJIX-HAHDFKILSA-N 477.520 5.412 50 10 JKGE N#CC1=C(N)Oc2cc(OC(=O)C(c3ccccc3)c3ccccc3)ccc2[C@@H]1c1cccs1 38656679 FROXQWZJYUDXQR-SANMLTNESA-N 464.546 5.704 50 10 JKGE Cc1c(C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@H]3c2ccc([N+](=O)[O-])cc2)oc2ccc(F)cc12 38688244 KJNUGYUCACVMED-QHCPKHFHSA-N 485.427 5.226 50 10 JKGE Cc1ccc2c(C)c(C(=O)Oc3ccc4c(c3)OC(N)=C(C#N)[C@H]4c3cccc(F)c3)oc2c1C 38700505 SIQTVQNMXUWKPR-DEOSSOPVSA-N 468.484 5.935 50 10 JKGE CCc1ccc(Oc2nc3c(C)cccn3c(=O)c2/C=C(/C#N)C(=O)Nc2ccccc2Cl)cc1 39858663 WJGPHNRBMKHGLG-CYVLTUHYSA-N 484.943 5.557 50 10 JKGE Cc1c(C(=O)Nc2ccc(Oc3ccccc3)cc2)oc2c1/C(=N/NC(=O)Cc1ccccc1)CCC2 40815663 HZVPHASWPKVGFO-WGPBWIAQSA-N 493.563 6.032 50 10 JKGE CCCCOc1ccc(/C=C/C(=O)Oc2ccc(/C=C(\C#N)c3ccc(Cl)cc3)cc2OC)cc1 40864597 JUHJHOBJXMNXBF-PSWUAYDTSA-N 487.983 7.210 50 10 JKGE O=C(N/N=C/c1cccn1-c1ccc(Br)cc1)Nc1cccc(Br)c1 59248268 WRTMTKAANQMUPB-CIAFOILYSA-N 462.145 5.158 50 10 JKGE CCc1ccc(N2C(=O)[C@H](Cc3ccc(C)c(C)c3)S/C2=C(/C#N)C(=O)NCc2ccco2)cc1 101242059 SLEOKSUXKBPWOJ-UZEPBSNMSA-N 485.609 5.202 50 10 JKGE COc1ccc([C@@H](Br)c2cc(Br)ccc2F)cc1Br 109834151 OABHLNBPXJBAAZ-CQSZACIVSA-N 452.943 5.844 50 10 JKGE Brc1cc2c(cc1[C@@H](Br)c1sccc1Br)OCCCO2 111536480 CMZGGQOPLPULOM-CYBMUJFWSA-N 483.019 5.919 50 10 JKGE COc1cc(C)c(Br)cc1[C@H](Br)c1ccccc1I 115070216 QTJOQOIAWXEJHJ-OAHLLOKOSA-N 495.980 5.855 50 10 JKGE C[C@@H](Cl)c1nc2ccc(Br)cc2n1-c1ccc(Br)cc1Br 115770699 LZPDVBQHPIQDHT-MRVPVSSYSA-N 493.424 6.613 50 10 JKGE Fc1ccccc1C(CBr)(CBr)Cc1ccc(Br)s1 118671715 WDWRADDPWHCJBB-UHFFFAOYSA-N 471.027 5.920 50 10 JKGE C(=C(/C[P+](c1ccccc1)(c1ccccc1)c1ccccc1)c1ccccc1)\c1ccccc1 137587160 PLBMSWSTGVQYOX-BXVZCJGGSA-N 455.561 7.221 50 10 JKGE COc1ccc(Br)cc1[C@H](Cl)c1cc(Br)ccc1Br 161059140 DZQSCOXLOPORFM-CQSZACIVSA-N 469.398 6.311 50 10 JKGE CC(C)(C)c1ccc(/C=C\C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@H]3c2cccs2)cc1 205646839 CFOZJAAZZOEGAM-SXUJQFLNSA-N 456.567 5.883 50 10 JKGE Cc1ccc(/C=C(\C#N)C(=O)N2N=C3/C(=C/c4ccccc4)CCC[C@@H]3[C@@H]2c2ccccc2)cc1 229263384 FXTNDRZPXFXGSK-YVXQBACNSA-N 457.577 6.725 50 10 JKGE COc1cc(F)c(Br)cc1[C@H](Cl)c1cc(Cl)ccc1I 234922550 HOWKVBQKBXZILW-CQSZACIVSA-N 489.937 6.183 50 10 JKGE COc1cc([C@H](Br)c2cc(Cl)sc2Cl)c(OC)cc1Br 234924409 GKNGQRQUZGFHFN-LBPRGKRZSA-N 461.002 6.319 50 10 JKGE CC(C)N1C(=O)C(=NNC(=O)c2ccc(CSc3nc4ccccc4s3)cc2)c2ccccc21 254291974 RHBACOCBJVGXER-UHFFFAOYSA-N 486.622 5.478 50 10 JKGE CCOc1ccc(C(=O)Oc2ccc3ccccc3c2C=NNC(=O)c2ccc([N+](=O)[O-])cc2)cc1 254532614 ZBXUTYRZZPZFKW-UHFFFAOYSA-N 483.480 5.130 50 10 JKGE CCCCOc1ccc(C(=O)Oc2ccc(C=NNC(=O)c3ccccc3C)cc2OC)cc1 254558155 HYCIUGKLTOIIPF-UHFFFAOYSA-N 460.530 5.166 50 10 JKGE CC(=NNC(=O)CSc1nnc(SCc2cccc3ccccc23)s1)c1ccccc1 254844763 QEQGUAHMJYJKQO-UHFFFAOYSA-N 464.641 5.616 50 10 JKGE CCCCCCCCCCCC(=O)NN=Cc1c(OC(=O)c2ccccc2)ccc2ccccc12 254851872 AAPLOLKAUDQBTF-UHFFFAOYSA-N 472.629 7.430 50 10 JKGE CC(C)[C@H]1CC[C@@H](C)C[C@H]1O[C@](C)(CI)CNC(=O)OC(C)(C)C 303741198 JBQPTNGPDDKGNV-YKTARERQSA-N 453.405 5.182 50 10 JKGE Clc1sc([C@H](Cl)c2sccc2I)cc1Br 307422844 IEHWTSGANODUJT-ZETCQYMHSA-N 453.979 6.158 50 10 JKGE FC(F)(F)c1csc([C@H](Cl)c2cccc(Br)c2Cl)c1Br 312950234 KLUPYMKCVOGYOG-SNVBAGLBSA-N 468.947 7.274 50 10 JKGE C[C@H](CCn1c(CCl)nc2cc(I)c(F)cc21)N(C)Cc1ccccc1 379606973 DMTKXZUHASXJLV-CQSZACIVSA-N 485.772 5.429 50 10 JKGE Cc1cc(C(=O)[C@H](C)Cl)c(C)n1-c1cc(Br)ccc1I 383593909 LXFOSVZMVWKABN-VIFPVBQESA-N 466.544 5.271 50 10 JKGE C[C@H](Cl)c1nc2cc(I)ccc2n1C[C@@H]1CCCN(Cc2ccccc2)C1 383779345 KQQDNUMJUFRVDU-FUHWJXTLSA-N 493.820 5.853 50 10 JKGE O=C(COc1ccccc1-c1nc(CCl)cs1)N(Cc1ccccc1)Cc1ccccc1 384088231 CDHKLWAKJBVDGT-UHFFFAOYSA-N 463.002 6.157 50 10 JKGE CC(C)(C)OC(=O)N1CC[C@H](c2cccc(CO[Si](C)(C)C(C)(C)C)c2)c2ccccc21 616590574 XZVJXJPQUBTBTL-JOCHJYFZSA-N 453.699 7.486 50 10 JKGE CN(C(=O)OC(C)(C)C)c1ccc([C@H]2CCCN(CCO[Si](C)(C)C(C)(C)C)CC2)cc1 616629570 RTMOKDSUGZWNIK-NRFANRHFSA-N 462.751 6.649 50 10 JKGE CN(C)c1ccc([P@](C)(=O)c2ccccc2-c2ccccc2-c2ccccc2-c2ccccc2)cc1 642814233 RKMVBNRLYHRWOV-BHVANESWSA-N 487.583 7.697 50 10 JKGE Fc1ccc(Oc2cc(Cl)c(Br)cc2Cl)c(CBr)c1Cl 705721438 RHAJTDPDFFDIDE-UHFFFAOYSA-N 463.355 7.236 50 10 JKGE O=C(CSc1ccc(Cl)cc1)NN=Cc1ccc(OCc2cccc3ccccc23)cc1 1083908902 VJZRXSBTYAOFOA-UHFFFAOYSA-N 460.986 6.315 50 10 JKGE O=C(NN=Cc1ccccc1OCc1ccc(Cl)cc1Cl)c1ccccc1Br 1084312700 UGQMIMUCEWVIQS-UHFFFAOYSA-N 478.173 6.099 50 10 JKGE Cc1ccc(Sc2ccc(C=NNC(=O)c3cc4cc(Br)ccc4o3)o2)cc1 1084332982 IOQFHTFXPCQNLC-UHFFFAOYSA-N 455.333 6.012 50 10 JKGE Cc1c(C(=O)Nc2ccc(Cl)c(Cl)c2)oc2c1C(=NNC(=O)c1ccc(F)cc1)CCC2 1772744929 NBCNJFRPEMWRIW-UHFFFAOYSA-N 474.319 5.757 50 10 JKGE CCN(C(=O)c1oc2c(c1C)C(=NNC(=O)c1ccc(Cl)cc1Cl)CCC2)c1cccc(C)c1 1772745456 AKRFSFHVIFZRNI-UHFFFAOYSA-N 498.410 6.340 50 10 JKGE Cc1ccc(-n2nc(-c3ccccc3)c3c2OC(N)=C(C#N)[C@H]3c2c(Cl)cccc2Cl)cc1 1865685647 LJYDAIIIBNKMJA-NRFANRHFSA-N 473.363 6.373 50 10 JKGE CCCc1nn(Cc2ccccc2F)c2c1[C@H](c1ccc(Cl)cc1Cl)C(C#N)=C(N)O2 1865685969 OWVNAIDOIIBNRS-HXUWFJFHSA-N 457.336 5.548 50 10 JKGE CCc1nn(-c2ccc(Cl)c(Cl)c2)c2c1[C@H](c1c(F)cccc1Cl)C(C#N)=C(N)O2 1865686452 VXHIRLCFCPKBNX-KRWDZBQOSA-N 463.727 5.752 50 10 JKGE CCOc1cc([C@@H]2C(C#N)=C(N)Oc3c2c(-c2ccccc2)nn3C)ccc1OCc1ccc(C)cc1 1865688208 NAQHRTYSZNFRLL-AREMUKBSSA-N 492.579 5.591 50 10 JKGE CCCCOc1ccc([C@@H]2C(C#N)=C(N)Oc3c2c(CC)nn3Cc2ccccc2Cl)cc1 1865690538 UHBRHFGHLFOPMZ-HSZRJFAPSA-N 462.981 5.544 50 10 JKGE CCc1ccc([C@H]2C(C#N)=C(N)Oc3c2c(-c2ccc(OC)cc2)nn3Cc2cccc(F)c2)cc1 1865709069 MVHXWKKMCYHMQT-VWLOTQADSA-N 480.543 5.527 50 10 JKGE COCCc1nc(Nc2ccc(SC#N)cc2)cc(N2CCc3cc4cc(C)ccc4nc32)n1 1868253755 SCNWUBRTILNDEB-UHFFFAOYSA-N 468.586 5.533 50 10 JKGE N#CSc1ccc(Nc2cc(N3CCC[C@H]3Cc3ccc(Cl)cc3)nc(-c3ccccc3)n2)cc1 1868365285 NIBSCRQBZCYDOA-DEOSSOPVSA-N 498.055 7.325 50 10 JKGE COc1cccc(-c2nc(Nc3ccc(SC#N)cc3)cc(N3C[C@H](C)OCC3(C)C)n2)c1 1868506324 UXUKJTOETWKNSC-KRWDZBQOSA-N 461.591 5.473 50 10 JKGE CSCC[C@@H](/C(O)=C(\C#N)c1nc(-c2ccc(Cl)cc2)cs1)N1C(=O)c2ccccc2C1=O 1872748210 NGJYUMAIXCUPQC-HUZQBFDWSA-N 496.013 5.674 50 10 JKGE N#C/C(=C(/O)CCCN1C(=O)c2cccc([N+](=O)[O-])c2C1=O)c1nc(-c2c[nH]c3ccccc23)cs1 1872751992 YLQDNUSQMGCWRY-PGMHBOJBSA-N 499.508 5.069 50 10 JKGE COc1ccc(-c2csc(/C(C#N)=C(\O)c3ccc4c(c3)C(=O)N(C(C)C)C4=O)n2)c(C)c1C 1872753634 HCKRBPZTLWWVQZ-ATJXCDBQSA-N 473.554 5.390 50 10 JKGE CCOc1cc(/C=C(\C#N)c2nc(-c3cccc4ccccc34)cs2)ccc1OCc1ccccc1 1872792258 OIYYYIWYXLBUEP-KOEQRZSOSA-N 488.612 8.005 50 10 JKGE COc1ccc(-c2csc(/C(C#N)=C/c3ccc(OCc4ccc(C)cc4)cc3)n2)c2ccccc12 1872794936 FBSOHOPKSGGULK-JJIBRWJFSA-N 488.612 7.924 50 10 JKGE C[C@@H](/C(O)=C(\C#N)c1nc(-c2ccc3ccccc3c2)cs1)N1C(=O)c2ccccc2C1=O 1873940934 NZZWJANTYSJDCN-MBSKJGAKSA-N 451.507 5.441 50 10 JKGE CC[C@@H](Br)CN(Cc1ccccc1)C(=O)c1cc(Cl)cc(Br)c1 1915077128 STERGNURJLLVEO-OAHLLOKOSA-N 459.609 5.918 50 10 JKGE COc1ccc(Br)cc1[C@@H](Cl)c1sc(Br)cc1Br 1922954217 LXDWWOCEGWTJSK-LLVKDONJSA-N 475.427 6.372 50 10 JKGE Clc1ccccc1C[C@H](Br)c1c(Br)sc(Br)c1Cl 1923055373 SIPGMLGGVDNVNT-ZETCQYMHSA-N 493.873 7.259 50 10 JKGE C[C@H](c1ccncc1Br)[C@H](Cl)c1scc(Br)c1Br 1924057385 VBDAVTAVPUUTGO-KBUNVGBDSA-N 474.443 6.514 50 10 JKGE Cc1cc([C@H](Br)c2c(Br)sc(Br)c2Br)co1 1924576793 SGLIMGPQUCASSC-ZETCQYMHSA-N 493.840 6.421 50 10 JKGE Cc1cc([C@H](Br)c2cscc2OCc2ccccc2)sc1Br 1934839612 PMNGDWMYTHZHHY-MRXNPFEDSA-N 458.240 6.944 50 10 JKGE Cc1ccc(Br)cc1[C@H](Br)c1sc(Cl)cc1Br 1948828481 KQEAUQAYKRIUKF-NSHDSACASA-N 459.428 6.719 50 10 JKGE FC(F)(F)[C@@H]1C[C@H]1[C@@H](Br)c1c(Br)sc(Br)c1Cl 1950758128 RLZBHKBSRYVVQL-PAKKCRSFSA-N 477.365 6.561 50 10 JKGE COCC1([C@H](Br)c2c(Br)sc(Br)c2Cl)CCC1 1951243883 MNRDGSCIOFNKFS-MRVPVSSYSA-N 467.448 6.179 50 10 JKGE Brc1csc([C@H](Br)c2sc(Br)cc2Br)c1 1961676088 DVXXQDCQRJLJGT-QMMMGPOBSA-N 495.881 6.581 50 10 JKGE CC[C@@H]([C@@H](Cl)c1c(Br)sc(Br)c1Br)C(C)(F)F 2004480487 ZGKFRAPCOLEGHI-MHTLYPKNSA-N 475.418 6.997 50 10 JKGE CC(C)CC1([C@@H](Br)c2c(Br)sc(Br)c2Cl)CC1 2015717176 MCEJKKNHCMMRDP-VIFPVBQESA-N 465.476 7.189 50 10 JKGE Cl[C@H](C[C@@H]1CCC12CCC2)c1c(Br)sc(Br)c1Br 2047937743 ACCMFFPEBHRQSG-JGVFFNPUSA-N 477.487 7.286 50 10 JKGE Fc1cc(Cl)c(Br)cc1[C@@H](Br)c1cc(Br)c(Cl)s1 2052445089 OSAYJVNETQUPHO-SNVBAGLBSA-N 497.836 7.203 50 10 JKGE CC(C)(C)OC(=O)NCCSSCCN[C@H]1CCN(C(=O)OC(C)(C)C)[C@H](C2CCC2)C1 2073716864 CPBXNUMOYWYJDU-OALUTQOASA-N 489.748 5.050 50 10 JKGE C[C@H]1Cc2cc([C@H](Br)c3nscc3Br)cc(Br)c2O1 2090470555 PBSSHKZVQUENHN-KGFZYKRKSA-N 468.008 5.476 50 10 JKGE C[C@H]1CCCN(Cc2ccc(Br)cc2Br)[C@H]1CCBr 2092264992 GAQJUJCCVGKCNN-NHYWBVRUSA-N 454.044 5.597 50 10 JKGE CC1(C)CCC[C@]1(CBr)NC(=O)c1scc(Br)c1Br 2094151849 RWGJAFVSDSTVLI-CYBMUJFWSA-N 474.056 5.347 50 10 JKGE Clc1ccc(I)c(CC[C@@H](Br)CC2CCCCC2)c1 2099493673 XMJIAIGINZCXDJ-CQSZACIVSA-N 455.605 6.611 50 10 JKGE CC[C@H](Br)[C@H]1CCCCN1Cc1ccc(Br)cc1Br 2114190482 UFPXKFZELONXOL-DZGCQCFKSA-N 454.044 5.740 50 10 JKGE Brc1cc([C@@H](Br)c2cc(Br)c3c(c2)CCCO3)ns1 2120033177 RHHQJUGREKUOFJ-LBPRGKRZSA-N 468.008 5.477 50 10 JKGE Cc1nn(C)c(Br)c1[C@@H](Br)c1cc(C2CC2)c(Br)s1 2129269450 JQSQRXGNVARWKZ-NSHDSACASA-N 469.040 5.677 50 10 JKGE CCN[C@@H](c1c(C)c(Br)cc(C)c1Br)[C@H]1C[C@H](Br)C1 2136380815 CSBGAUYIUCSTOR-UEKVPHQBSA-N 454.044 5.653 50 10 JKGE Brc1ccc([C@H](Br)[C@@H]2C[C@@H]2C2CCCCC2)c(Br)c1 2138850850 IMPLIRMQGDDPJL-FMKPAKJESA-N 451.040 6.864 50 10 JKGE Cc1cc(Br)c([C@H](Cl)c2ccsc2S(C)(=O)=O)cc1Br 2150545255 LCUICOVNZPRNON-GFCCVEGCSA-N 458.624 5.313 50 10 JKGE Cn1nc(CC(CBr)(CBr)c2ccccc2)c(Br)c1Cl 2152985042 JEPDMYGNINIHLS-UHFFFAOYSA-N 485.445 5.106 50 10 JKGE Cc1csc([C@@H](Br)c2cc3nc(O)[nH]c3cc2Br)c1Br 2157035983 RCCQCECUVZOVMN-NSHDSACASA-N 481.007 5.648 50 10 JKGE COc1ccc2cc([C@H](Br)c3cc(I)sn3)ccc2c1 2176539719 RRFZDEMDQMHDRE-HNNXBMFYSA-N 460.134 5.394 50 10 JKGE C[C@@H](C1CC1)N(Cc1ccccc1)S(=O)(=O)c1c(CBr)sc2ccccc12 2179825009 BUQUTOXQIVVGDV-HNNXBMFYSA-N 464.450 5.786 50 10 JKGE O=S(=O)(c1cc(CBr)c(Cl)cc1Cl)N(Cc1ccccc1)C[C@@H]1CCCO1 2179829419 ASIMHNQFJFOUHG-INIZCTEOSA-N 493.250 5.258 50 10 JKGE C[C@@H]1C[C@H](n2c(CCl)nc3cc(Br)c(F)cc32)CN(Cc2ccccc2)C1 2184260837 PQHRATVTUNXXQK-ZBFHGGJFSA-N 450.783 5.760 50 10 JKGE CC(F)(F)C1(COc2c(Br)cc(CBr)cc2Br)CCC1 2191277671 TVAWQIZWENPTPL-UHFFFAOYSA-N 476.981 6.311 50 10 JKGE COc1cc(Cl)c([C@H](Br)c2cc(F)ccc2Br)cc1Br 2202354582 YRKQDYHOVYSHLO-CQSZACIVSA-N 487.388 6.497 50 10 JKGE BrCc1cc(OC[C@@H]2CC2(Br)Br)ccc1Br 2210245962 OIUGSMVKHMKJSF-QMMMGPOBSA-N 477.816 5.229 50 10 JKGE CO[C@@H]1C[C@H](Cl)C[C@H]1c1sc(Br)c(Br)c1Br 2212199253 AOKGWIFLHDFHLF-HSUXUTPPSA-N 453.421 5.535 50 10 JKGE Cc1c(Br)csc1[C@@H](Cl)c1c(Cl)sc(Br)c1Cl 2213771412 CKGQEIYYLXUBRV-LURJTMIESA-N 455.451 7.278 50 10 JKGE Fc1cc(Br)c(Br)cc1[C@@H](Cl)c1cc(Br)c(Cl)s1 2218596284 DMXQAXJTQXJSIS-SNVBAGLBSA-N 497.836 7.156 50 10 JKGE BrCc1ccc(Br)cc1N1C[C@@H]2CCC[C@H](C1)N2Cc1ccccc1 2219217257 LEAAZYNSJBJOMV-BGYRXZFFSA-N 464.245 5.587 50 10 JKGE Cc1c(Br)csc1[C@H](Br)Cc1ccc(Br)cc1Cl 2221700095 OSUDEFIUBCSOHE-SNVBAGLBSA-N 473.455 6.914 50 10 JKGE CC(C)C(C(C)C)[C@H](Br)c1c(Br)cc(Cl)c(Cl)c1Cl 2224301751 DIPHQRLMFCIZGW-LBPRGKRZSA-N 451.457 7.774 50 10 JKGE Fc1cc(Br)c(Br)cc1[C@H](Br)[C@@H]1CCCCC1(F)F 2225617826 RUJCQOSMDAKKAS-UFBFGSQYSA-N 464.945 6.612 50 10 JKGE Cc1cc(Br)c([C@H](Br)C23CC(CCO2)C3)c(C)c1Br 2227360660 VDOROVLKGLLODA-CUMGRINNSA-N 453.012 5.834 50 10 JKGE Cc1cc(Br)c([C@H](Br)c2cccc(C)c2Br)c(C)c1Cl 2232527405 DAECANJIYNQKKM-OAHLLOKOSA-N 481.453 7.275 50 10 JKGE COCc1cc(Br)c([C@@H](Br)c2cc(C)c(Br)c(C)c2)s1 2235680292 WKUSFPMKHIKYQH-AWEZNQCLSA-N 483.063 6.521 50 10 JKGE COCc1cc(Br)c([C@@H](Cl)c2scc(Br)c2Cl)s1 2253601111 UPCHYRSWHVKRQN-SECBINFHSA-N 451.032 6.463 50 10 JKGE CCOCc1cc(Br)c([C@@H](Cl)c2scc(Br)c2Cl)s1 2264609094 HUMRAWXNYNFIQE-SNVBAGLBSA-N 465.059 6.853 50 10 JKGE Fc1cc(Br)c(Br)cc1[C@@H](Br)C[C@H]1CCCC12CC2 2266633148 XOIDSZWBJCGUSJ-KOLCDFICSA-N 455.003 6.757 50 10 JKGE COc1ccc([C@@H](Br)c2scc(Br)c2C)c(Br)c1Cl 2268260047 QBWCFHJJAUSAOU-LLVKDONJSA-N 489.454 6.728 50 10 JKGE Fc1ccc([C@@H](Br)c2cc3sc(Br)cc3s2)cc1Br 2278104428 YINIAOGRPICYMD-CYBMUJFWSA-N 485.035 7.111 50 10 JKGE COc1cc(Cl)c(Cl)cc1[C@@H](Br)c1c(F)cccc1I 2282786626 HSUULVXBGRXCOG-CQSZACIVSA-N 489.937 6.230 50 10 JKGE COc1ccc([C@H](Cl)c2ccc(I)c(Br)c2)c(OC)c1 2287187247 OQOQSRMSRUOABZ-OAHLLOKOSA-N 467.528 5.399 50 10 JKGE CC1(C)OCCO[C@@H]1[C@@H](Br)c1c(F)cc(Br)c(F)c1Br 2288485725 ZVYHRCSGOHBCOI-CMPLNLGQSA-N 478.953 5.120 50 10 JKGE CCOc1cc(C=C(C#N)c2ccccc2)cc(Br)c1OCCOc1ccc(C)cc1 2293284965 PVIIWSDDXOJNKF-UHFFFAOYSA-N 478.386 6.678 50 10 JKGE Brc1cc(Br)cc(C[C@H](Br)c2ccc(C3CC3)cc2)c1 2295343685 ZMPSHZYREVOURA-KRWDZBQOSA-N 459.019 6.768 50 10 JKGE Cc1ccc(N2C(=O)[C@H](Cc3ccc(F)cc3)SC2=C(C#N)C(=O)Nc2ccc(F)cc2)cc1 2297019481 CPRQTXPMMXTATF-QHCPKHFHSA-N 475.520 5.338 50 10 JKGE Brc1ccc(OCc2ccccc2)c([C@@H](Br)[C@@H]2C[C@H]3CC[C@H]2C3)c1 2299493949 MMSHVMHCUOSROK-OAZVVGOESA-N 450.214 6.900 50 10 JKGE C[C@@H]1COCC[C@H]1[C@H](Br)c1ccc(OCc2ccccc2)cc1Br 2299529586 DEGLPKOBZHJVBP-ZTQAJYAQSA-N 454.202 6.137 50 10 JKGE CCN(C[C@](C)(CI)OC[C@@H]1CCC(C)(C)C1)C(=O)OC(C)(C)C 2302677270 CNNDOSUNNPUBNR-BEFAXECRSA-N 453.405 5.280 50 10 JKGE CC1(C)[C@@H](OCc2cc(I)ccc2Br)C[C@H]1Br 2302812782 AXSDYICVLLYOQN-NEPJUHHUSA-N 473.974 5.132 50 10 JKGE BrCC1(OCc2ccc(I)c(Br)c2)CCCC1 2306300942 GZPLCOABKLNKIB-UHFFFAOYSA-N 473.974 5.278 50 10 JKGE COc1cc(C=C(C#N)C(=O)Nc2ccccc2)c(Br)cc1OCc1ccccc1C#N 2313510916 CZTVJLOZCHDFFC-UHFFFAOYSA-N 488.341 5.454 50 10 JKGE Cc1cc(C=C(C#N)C(=O)Nc2cccc(Cl)c2Cl)c(C)n1-c1ccc2ccccc2c1 2313571157 ORKFWZXNXMHCOY-UHFFFAOYSA-N 460.364 7.100 50 10 JKGE CC1(C)CCC[C@H]([C@H](Br)c2ccc(OCc3ccccc3)cc2Br)C1 2314439904 KYAHHDKNCQTOBE-UWJYYQICSA-N 466.257 7.681 50 10 JKGE C[C@@H]1O[C@@]2([C@H](Br)c3ccc(OCc4ccccc4)cc3Br)CC[C@H]1C2 2314442806 DACMYPOILHBLRR-XCODNNPBSA-N 466.213 6.422 50 10 JKGE Cc1ccccc1C[C@@H]1SC(=C(C#N)C(=O)Nc2ccccc2)N(c2ccc(C(C)C)cc2)C1=O 2314594159 ZZJDTFCYPCLHEI-SANMLTNESA-N 481.621 6.183 50 10 JKGE C[C@H]1C[C@]2([C@H](Br)c3c(Cl)cc(Br)c(F)c3Br)C[C@H]12 2315442094 PEGAIAPZRXPIGK-MPCSLWBPSA-N 461.394 6.486 50 10 JKGE Cc1cc([C@H](Br)c2sc(Cl)cc2I)c(F)cc1F 2316769505 JGKQRYNLLXBBRP-NSHDSACASA-N 463.512 6.077 50 10 JKGE C[C@@H]1CCc2[nH]c3ccc(C(=O)NN=Cc4ccc(OC(=O)c5ccccc5)cc4)cc3c2C1 2323168565 IWPJUHYUZGOPLC-GOSISDBHSA-N 451.526 5.276 50 10 JKGE COc1cc(C=NNC(=O)c2c(C)ccc3ccccc23)cc(Br)c1OC(C)C 2323675273 WNKSXNWIDAUGPO-UHFFFAOYSA-N 455.352 5.470 50 10 JKGE CCOc1ccc(C)cc1[C@@H](C)NC(=O)C(C#N)=CNc1cc(C(F)(F)F)cc(C(F)(F)F)c1 2325074180 ODLLOFFLEOEFAF-CQSZACIVSA-N 485.428 6.128 50 10 JKGE Brc1cc(CC[C@H](Br)C[C@H]2CCCO2)ccc1I 2325224504 XVJPJDCNSVUJNH-NWDGAFQWSA-N 488.001 5.319 50 10 JKGE Cc1c(OCc2ccc(CCl)cc2)ccc2c1OC(=Cc1cccc(Br)c1)C2=O 2325339791 MIYBYJSTDURYBE-UHFFFAOYSA-N 469.762 6.692 50 10 JKGE N#CC(=Cc1ccc(Br)cc1)C(=O)Nc1nc(-c2ccc3ccccc3c2)cs1 2329663479 GPGYWNSMSLLHPG-UHFFFAOYSA-N 460.356 6.271 50 10 JKGE COc1cccc(-c2csc(C(C#N)=C(O)COc3ccc(OC)cc3C(C)(C)C)n2)c1 2331246734 QNOGOLYBEHUGRJ-UHFFFAOYSA-N 450.560 5.996 50 10 JKGE COc1cc(-c2csc(C(C#N)=C(O)[C@@H](C)Oc3ccc(C(C)C)cc3)n2)c(OC)cc1Cl 2331376853 CUDCEAULQVFGEG-OAHLLOKOSA-N 485.005 6.864 50 10 JKGE COc1ccc(-c2csc(C(C#N)=C(O)[C@@H](C)Oc3ccc(Cl)cc3)n2)c2ccccc12 2331406458 OSFSNMRRDZFRGQ-OAHLLOKOSA-N 462.958 6.885 50 10 JKGE COCc1ccc([C@H](Br)c2ccc(OCc3ccccc3)cc2Br)cc1 2336040659 HRVMXDXYEFCDFA-QFIPXVFZSA-N 476.208 6.659 50 10 JKGE C[C@]12C[C@]([C@H](Br)c3c(Cl)cc(Br)c(F)c3Br)(CO1)C2 2337106084 DXTDNSGSMAUEMB-JHJVBQTASA-N 477.393 6.009 50 10 JKGE Clc1ccc(C[C@@H]2CCCCCCC[C@H]2Br)cc1I 2337277731 XPHNGYFHIWIHIY-UONOGXRCSA-N 455.605 6.611 50 10 JKGE CCCc1sc(Br)cc1[C@@H](Cl)c1ccc(F)cc1I 2338023600 JBYYVOXGGOMYGF-AWEZNQCLSA-N 473.576 6.535 50 10 JKGE COc1c(Br)cc(C)c([C@@H](Br)[C@]23C[C@H]2[C@H](C)C3)c1Br 2339657104 UWNFIJQRMJGGES-WUEYEGCSSA-N 453.012 6.011 50 10 JKGE COc1c(Br)cc(C)c([C@H](Br)[C@H]2CC[C@@H]2OC)c1Br 2339658028 DMNUBEICAYTUSK-PTOFAABTSA-N 457.000 5.390 50 10 JKGE Cc1ccc(OCc2ccc(Cl)cc2I)c(CBr)n1 2340112866 PWXTVMNXWNFVOL-UHFFFAOYSA-N 452.517 5.122 50 10 JKGE Cc1c(Br)ccc([C@H](Br)[C@@H]2CC[C@@H]2C(C)(C)C)c1Br 2343073391 SYFRSWQTUDEDED-IFUGULHKSA-N 453.056 7.028 50 10 JKGE CC(C)[C@@H]1CC[C@@H](Cl)[C@H](Cc2ccc(I)c(Br)c2)C1 2349777570 BVYSRLXCIJFRMO-UMVBOHGHSA-N 455.605 6.276 50 10 JKGE Fc1cc(Cl)c(Br)c(Cl)c1[C@H](Br)C[C@@H]1C[C@H]1C(F)(F)F 2360426286 KHWJKDXRMWGEQL-KVQBGUIXSA-N 458.902 6.920 50 10 JKGE Fc1c(Br)cc(Cl)c([C@H](Br)[C@@H]2CC[C@H]3[C@H]2C3(F)F)c1Br 2362234440 HBSQKRBQVKJQOW-MAMGYMNZSA-N 497.374 6.731 50 10 JKGE CN(Cc1ccc(Cl)c(I)c1)[C@@H](CBr)c1ccccc1 2362369511 YHHCPDCPIACDMV-INIZCTEOSA-N 464.572 5.513 50 10 JKGE CC(C)(C)[C@]1(CBr)CCN(Cc2ccc(Cl)c(I)c2)C1 2362380609 SIKWQQISJYKIAL-INIZCTEOSA-N 470.620 5.578 50 10 JKGE Cc1nc(Br)c([C@@H](Br)c2csc3c(Br)cccc23)n1C 2362442877 SMEWGCGVGLUNGX-NSHDSACASA-N 479.035 5.953 50 10 JKGE Clc1cccc(CO[C@@H](CI)c2ccccc2Br)c1Cl 2364802849 QPJYGJTVERAYCE-AWEZNQCLSA-N 485.974 6.449 50 10 JKGE Cc1cc(Br)c(F)c(Br)c1[C@@H](Br)C12CCOC(C)(C1)C2 2365224014 SXBJGQYFMMPAJJ-WLYUNCDWSA-N 471.002 6.054 50 10 JKGE COc1c([C@H](Br)c2csc(C)c2Br)cc(Br)c(C)c1C 2369483406 XVPJNCVXIWHNJD-AWEZNQCLSA-N 483.063 6.691 50 10 JKGE FC1(F)CC2(C1)CC(CBr)(Cc1cc(I)ccc1Cl)C2 2380517838 UEPKZWLWLNEMAC-UHFFFAOYSA-N 475.542 6.078 50 10 JKGE Cc1cc(Br)c(C(C)C)cc1[C@@H](Br)c1cc(Br)oc1C 2380948186 ZFLIKCQJFGTSOW-MRXNPFEDSA-N 465.023 7.029 50 10 JKGE O=C(N/N=C/c1ccccc1OCc1cccc(Br)c1)c1ccc2ccccc2n1 3089593 CVLUBCSPISVOON-CVKSISIWSA-N 460.331 5.340 50 10 JKGE CCCCCCOc1ccc(C(=O)NNC(=O)[C@@H](C)Oc2c(C)cc(Br)cc2C)cc1 14643391 PCCPMKOBCMXLJQ-GOSISDBHSA-N 491.426 5.254 50 10 JKGE N#C/C(=C/C1=C(N2CCOCC2)/C(=C/c2cccc([N+](=O)[O-])c2)CC1)c1nc2ccccc2s1 35315352 ZABSYIPSRRDTNB-XPIFUUQGSA-N 470.554 5.575 50 10 JKGE CCCCN1C(=O)C(C#N)=C(C)/C(=C\c2cn(-c3ccccc3)nc2-c2cc3ccccc3o2)C1=O 38603644 SPDCCZWDFOBUIZ-HZHRSRAPSA-N 476.536 5.678 50 10 JKGE N#CC1=C(N)Oc2cc(OC(=O)c3ccccc3Br)ccc2[C@@H]1c1cccc(Cl)c1 38651134 CEVMCDQDOZKVLZ-NRFANRHFSA-N 481.733 5.540 50 10 JKGE N#CC1=C(N)Oc2cc(OC(=O)c3cccc(Cl)c3)ccc2[C@H]1c1ccc(Br)cc1 38651772 JMSQFCIFNHILIM-OAQYLSRUSA-N 481.733 5.540 50 10 JKGE C=CCOc1ccc(C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@@H]3c2ccc(OCC)cc2)cc1 38685838 INXMQPRFOWPMHR-AREMUKBSSA-N 468.509 5.087 50 10 JKGE Cc1ccc(C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@H]3c2cccc(OCc3ccccc3)c2)cc1 38686496 AIIUTNGOLVAWMR-LJAQVGFWSA-N 488.543 6.011 50 10 JKGE Cc1c(C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@@H]3c2ccccc2Cl)oc2ccc(F)cc12 38687643 BQAYICUMRJJSNA-HSZRJFAPSA-N 474.875 5.971 50 10 JKGE CCc1ccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4oc5ccc(Cl)cc5c4C)ccc32)cc1 38700450 WEXKFAUQVKYHOV-VWLOTQADSA-N 484.939 6.394 50 10 JKGE Cc1ccc(C(=O)N/N=C2\CCCc3oc(C(=O)N4c5ccc(F)cc5CC[C@H]4C)c(C)c32)cc1 40804531 AKXHTCQDDIPEHX-XKXFLAFKSA-N 473.548 5.487 50 10 JKGE C=C(C)c1cccc(C(C)(C)NC(=O)N/N=C/c2cn(Cc3ccccc3)c3ccccc23)c1 40859197 LNNPRBWKBCUUPF-UXHLAJHPSA-N 450.586 6.291 50 10 JKGE O=C(N/N=C/C1=C(N2CCOCC2)/C(=C\c2ccc(Cl)cc2)CC1)Oc1ccc2ccccc2c1 89878771 HYPLOMFIBVMZRQ-QNYPVFJJSA-N 487.987 6.031 50 10 JKGE COc1ccc(N/C(SCc2ccc(C)cc2)=C(\C#N)S(=O)(=O)c2ccccc2)cc1Cl 96482176 OFKDUYHYLRKFLT-VHXPQNKSSA-N 485.030 6.169 50 10 JKGE CCCCCCCCOc1ccc(C(=O)Oc2ccc(/C=C(\C#N)C(=O)N(CC)CC)cc2)cc1 100167998 BXSFFTHIASCLGS-NJNXFGOHSA-N 476.617 6.420 50 10 JKGE COc1ccccc1NC(=O)/C(C#N)=C1\S[C@@H](Cc2ccccc2)C(=O)N1c1ccc(C)c(C)c1 101246796 BWXOKZGVMAVUNY-NNHPPCHPSA-N 483.593 5.377 50 10 JKGE CC1=C(C#N)C(=O)N(Cc2ccccc2Cl)C(=O)/C1=C/c1ccc(-c2ccc([N+](=O)[O-])cc2)o1 101340839 JNJHUOYGUKKPBY-UDWIEESQSA-N 473.872 5.301 50 10 JKGE COc1c(Br)cc(Cl)cc1[C@H](Br)c1cccc(Cl)c1Cl 109836340 SGSNQLDJBTXLKG-GFCCVEGCSA-N 459.392 6.902 50 10 JKGE Cc1cc(Br)c([C@@H](Br)c2cc3ccc(F)cc3s2)cc1Br 128754252 WSMGUMGFEHPPRX-MRXNPFEDSA-N 493.033 7.358 50 10 JKGE CCCCc1ccc([C@H](Br)c2cc(Br)c(Br)s2)cc1 128862770 BCORVLRBPZTQTK-AWEZNQCLSA-N 467.064 7.100 50 10 JKGE COc1ccc([C@@H](Br)c2cc(Br)ccc2Br)c(Cl)c1 161094669 AXNWCKWOBCMOBS-CQSZACIVSA-N 469.398 6.358 50 10 JKGE O=c1[nH]c2cc(Br)c([C@H](Cl)c3cccc(Br)c3Cl)cc2[nH]1 228453105 KNAUMKJBBDMHID-GFCCVEGCSA-N 450.945 5.363 50 10 JKGE Cc1nc(COc2c(Br)cc(CBr)cc2Br)sc1C 235953807 XFWFBPLUEVLQNX-UHFFFAOYSA-N 470.024 5.759 50 10 JKGE Clc1cc([C@@H](Br)c2cc(Br)sc2Br)c(Cl)s1 236068881 UHEKAMFHKFAMLL-ZETCQYMHSA-N 485.875 7.126 50 10 JKGE Fc1ccc([C@H](Br)c2cc(I)ccc2Br)c(F)c1 236247788 KJGOLUBLFRFRAC-ZDUSSCGKSA-N 487.907 5.816 50 10 JKGE CCCCCOc1ccccc1CN1C(=O)C(=NNC(=O)COc2cccc(C)c2)c2ccccc21 245285348 WOYHYUUHIDTSGV-UHFFFAOYSA-N 485.584 5.010 50 10 JKGE CCc1ccc(-c2cc(C(=O)NN=C(C)c3cccc(NC(C)=O)c3)c3ccccc3n2)cc1 252618934 LKXNCTJVQIIPJD-UHFFFAOYSA-N 450.542 5.577 50 10 JKGE CC(C)OC(=O)c1ccc2ccccc2c1OC(=O)[C@@]12CC[C@@](C)(C(=O)[C@H]1Br)C2(C)C 256019864 JGYLLRTXKLAGDZ-BTZRARBUSA-N 487.390 5.469 50 10 JKGE CC(C)(C)OC(=O)N1CCC(CI)(OCc2cccc(Cl)c2)CC1 303741183 IINDKIKKOUKFII-UHFFFAOYSA-N 465.759 5.061 50 10 JKGE C[C@H](Cl)c1nc2cc(I)ccc2n1[C@@H](C)CCOCc1ccccc1 389672472 QCCNRTVWORXOGY-GJZGRUSLSA-N 468.766 6.109 50 10 JKGE ClCCc1nc2cc(I)ccc2n1CCCOCc1ccccc1 389940964 FJRRKDBBMFZFDD-UHFFFAOYSA-N 454.739 5.029 50 10 JKGE CC[C@@H](CC(F)(F)F)[C@H](Br)c1cc(Br)c(C)cc1Br 402782660 NPBOOJUEPNRRGH-UFBFGSQYSA-N 466.961 6.935 50 10 JKGE BrCc1cc(Br)cc(Br)c1OC[C@@H]1CC[C@@H]2C[C@H]2C1 403746842 NWTDNNOYEFONHX-GMTAPVOTSA-N 453.012 5.922 50 10 JKGE Fc1ccc([C@H](Cl)c2cc(Cl)c(Cl)c(Cl)c2Cl)c(I)c1 404899071 ZXYJWNWSPZDHHQ-JTQLQIEISA-N 484.350 7.372 50 10 JKGE Fc1cc(Br)cc([C@@H](Br)c2ccc(F)c(Br)c2F)c1 691637350 VABNJWOHQZLANZ-LLVKDONJSA-N 458.897 6.113 50 10 JKGE Brc1ccoc1[C@H](Br)c1cc(I)cc2c1OCC2 696513080 IBQVYACIZRDLIC-LLVKDONJSA-N 483.925 5.066 50 10 JKGE C[C@@]12CN(Cc3ccccc3)C[C@@]1(C)CN(c1ccc(CBr)c(Br)c1)C2 705955839 PWUSUNILHFKNPE-VXKWHMMOSA-N 478.272 5.692 50 10 JKGE FC(F)(F)c1cscc1[C@H](Br)c1cc(Br)c(Br)s1 717213398 UNUCKPLOFNAWIZ-QMMMGPOBSA-N 484.982 6.838 50 10 JKGE CC(=NNC(=O)COc1ccccc1)c1ccc2c(c1)[C@@H]1C=CC[C@@H]1[C@H](c1ccccc1Cl)N2 1084184147 JZMILQLFDLEHHK-RZIGYZOXSA-N 471.988 6.086 50 10 JKGE CCOc1cc(C=NNC(=O)CC[C@@H](O)c2ccccc2)cc(Cl)c1OCc1ccccc1F 1084232451 BJIPMFLIQAQBIQ-HSZRJFAPSA-N 484.955 5.421 50 10 JKGE Cc1ccc(COc2c(Cl)cc(C=NNC(=O)CC[C@@H](O)c3ccccc3)cc2Cl)cc1 1084590570 DVJZICZXKUUACF-HSZRJFAPSA-N 471.384 5.845 50 10 JKGE CC(=NNC(=O)[C@H]1[C@H](C=C(Cl)Cl)C1(C)C)c1cc(C(F)(F)F)cc(C(F)(F)F)c1 1088668197 AQHNUDZVSKNBDU-GXTWGEPZSA-N 461.233 6.156 50 10 JKGE Cc1c(C(=O)Nc2ccc(N=Nc3ccccc3)cc2)oc2c1C(=NNC(=O)c1cccnc1)CCC2 1772746667 YDPODWNDYPBDFC-UHFFFAOYSA-N 492.539 6.121 50 10 JKGE O=C(CCBr)Nc1ccc(Oc2ccc(NC(=O)[C@@H]3CCCC[C@H]3C(=O)O)cc2)cc1 1859504665 BUSPSCBLCJPIBA-WOJBJXKFSA-N 489.366 5.032 50 10 JKGE CCCc1nn(Cc2c(F)cccc2Cl)c2c1[C@H](c1ccccc1Cl)C(C#N)=C(N)O2 1865685004 CPGXQYRTOYQJMM-HXUWFJFHSA-N 457.336 5.548 50 10 JKGE CCc1nn(-c2ccccc2)c2c1[C@H](c1ccccc1OCc1ccccc1Cl)C(C#N)=C(N)O2 1865702780 FEUKYBMKCSSKPY-RUZDIDTESA-N 482.971 5.885 50 10 JKGE Cc1ccc(SCCCC(=O)NNC(=O)/C=C/c2cccc(OCc3ccccc3)c2)cc1 1865755610 IDWKHIRPNCUNSM-SAPNQHFASA-N 460.599 5.307 50 10 JKGE CCC[C@H](NC(=O)Cc1nc(-c2ccc(CC)cc2)oc1C)C(=O)Nc1ccc(SC#N)cc1 1867178590 HGJPOHHBPOZGPX-QFIPXVFZSA-N 476.602 5.252 50 10 JKGE COc1cccc2cc(-c3cc(=O)oc4cc(OCc5cccc(CCl)c5)ccc34)c(=O)oc12 1871436945 DMGKUKGNSIXOHM-UHFFFAOYSA-N 474.896 5.893 50 10 JKGE COc1ccc(-c2c(C3CCC3)oc3cc(OCc4cccc(CCl)c4)ccc3c2=O)cc1 1871436969 FTNXCEBEQKFUER-UHFFFAOYSA-N 460.957 7.054 50 10 JKGE COc1cc(/C=C(\C#N)n2cnc3ccccc32)ccc1OCc1c(Cl)ccc(Cl)c1Cl 1872727417 ZPQDNJJRLCHEFB-MHWRWJLKSA-N 484.770 7.106 50 10 JKGE CCOC(=O)c1ccc(N2C[C@H](/C(O)=C(\C#N)c3nc(-c4ccc(C)cc4C)cs3)CC2=O)cc1 1872748907 SFIWRZBXIUECKM-IPQBESIJSA-N 487.581 5.449 50 10 JKGE CCOc1ccc(OCC)c(-c2csc(/C(C#N)=C(\O)c3c(Cl)ccc(Cl)c3OC)n2)c1 1872754837 LKAGTPFWHBWHHL-QNGOZBTKSA-N 491.396 6.873 50 10 JKGE CCCCCCOc1ccc(/C(O)=C(\C#N)c2nc(-c3ccc(OC)c(OC)c3OC)cs2)cc1 1872759385 MXKHABONMHOTIZ-FLFQWRMESA-N 494.613 6.745 50 10 JKGE Cc1cc(Br)c([C@H](Br)[C@H]2C[C@]23CCCOC3)cc1Br 1894140126 BDYIFWOHHFUKSL-UGFHNGPFSA-N 453.012 5.773 50 10 JKGE CCCC(CBr)(CBr)Cc1sc(Cl)cc1Br 1903683632 UUPBTUZRASKIPC-UHFFFAOYSA-N 453.465 6.283 50 10 JKGE Fc1cc(Br)c2nc(CCl)n(CC3(CCOCc4ccccc4)CC3)c2c1 1912651850 GMNUKGHMKLEECP-UHFFFAOYSA-N 451.767 6.064 50 10 JKGE O=S(=O)(c1ccc(Cl)c(Br)c1)N(CCCBr)Cc1ccccc1 1914647744 IVKSLUDHTCIKGK-UHFFFAOYSA-N 481.637 5.078 50 10 JKGE C[C@H](CCBr)N(Cc1ccccc1)S(=O)(=O)c1cc(Cl)sc1Cl 1915089505 ZSVCMYHSZAUWNM-LLVKDONJSA-N 457.242 5.419 50 10 JKGE CC(C)[C@@H](CBr)N(Cc1ccccc1)C(=O)Cc1ccc(Br)cc1F 1915258181 VCLPFARRVDRBPB-LJQANCHMSA-N 471.208 5.579 50 10 JKGE Cc1cc(C)c([C@@H](Br)c2sc(Br)c(C)c2Br)c(C)c1 1922900121 GVELSVNMMHUZAV-CYBMUJFWSA-N 467.064 6.991 50 10 JKGE Cc1c(Br)sc([C@@H](Cl)c2ccc(F)cc2Br)c1Br 1922946820 VVZSABUUYJDCPF-JTQLQIEISA-N 477.418 6.811 50 10 JKGE Cc1cc([C@@H](Br)c2c(Br)sc(Br)c2Cl)sc1C 1923050563 WVVKDWHAJOWOHE-MRVPVSSYSA-N 479.484 7.089 50 10 JKGE Cc1cc(F)ccc1[C@@H](Cl)c1c(Br)sc(Br)c1Br 1924585954 SCHUWEDSHNLSRI-SNVBAGLBSA-N 477.418 6.811 50 10 JKGE Clc1cnccc1C[C@@H](Br)c1csc(Br)c1Br 1945186650 JRQCNAGGTXNQFP-MRVPVSSYSA-N 460.416 6.000 50 10 JKGE Clc1c(Br)sc(Br)c1[C@H](Br)[C@@H]1C[C@@]12CCOC2 1950627689 DLRVXJPCXZXYRY-AODONOJDSA-N 465.432 5.789 50 10 JKGE CCC(C)(CC)[C@H](Br)c1c(Br)sc(Br)c1Cl 1985603834 FKAYFJJEPZJWMG-MRVPVSSYSA-N 453.465 7.189 50 10 JKGE Cc1ccc([C@@H](Br)c2cc(Br)sc2C)c(C)c1Br 2034553437 AAXFYWATNMHZGJ-CQSZACIVSA-N 453.037 6.683 50 10 JKGE Cc1cc(Br)sc1[C@@H](Br)c1cc(Cl)c(C)c(Br)c1 2048495396 BAMWOWVOWIPURW-LBPRGKRZSA-N 473.455 7.028 50 10 JKGE Cl[C@H](Cc1c(Br)cccc1Br)c1cccc(Br)c1 2050533123 NRULBXCYQFIDGN-CQSZACIVSA-N 453.399 6.497 50 10 JKGE Cc1c(Br)sc([C@@H](Br)[C@@H]2CCCC23CCC3)c1Br 2053378664 SHYVUKCGEOQMPU-ONGXEEELSA-N 457.069 6.988 50 10 JKGE Fc1cc(Br)cc(N2C[C@@H]3CCN(Cc4ccccc4)[C@H]3C2)c1CBr 2068563942 YGJZUQSIFZEXDR-YWZLYKJASA-N 468.208 5.194 50 10 JKGE COc1ccc([C@H](Cl)Cc2ccccc2I)c(Br)c1 2087563429 GYABDARPLYJBPR-CQSZACIVSA-N 451.529 5.585 50 10 JKGE COc1c(C)cc(Br)c(C)c1[C@@H](Cl)c1cscc1OCc1ccccc1 2100089590 PFWORGUEVAEAQZ-FQEVSTJZSA-N 451.813 7.043 50 10 JKGE C[C@@H](Cl)c1nc2cc(Cl)c(Br)cc2n1C[C@@H]1CCN1Cc1ccccc1 2112701289 HRJBVQANQSVBNN-HIFRSBDPSA-N 453.211 6.027 50 10 JKGE Fc1cc(CC[C@@H](Br)c2cccc(Br)c2)ccc1Br 2113486448 FTSVYZJYDAFSTJ-CYBMUJFWSA-N 450.971 6.420 50 10 JKGE CC[C@@H](Br)[C@H]1CCCCN1C(=O)c1csc(Br)c1Br 2114191771 DBUNGWIHMYUKSK-NXEZZACHSA-N 474.056 5.441 50 10 JKGE C[C@H]1CN(C(=O)c2scc(Br)c2Br)CC[C@@H]1CCBr 2115836922 PCRLYZJPDPVFJW-IUCAKERBSA-N 474.056 5.156 50 10 JKGE CN(Cc1cc(Br)ccc1Br)C1(CBr)CCSCC1 2118520207 RQCSNCFATAGKOR-UHFFFAOYSA-N 472.084 5.304 50 10 JKGE CC1(C)CC[C@H](Br)[C@H](Cc2cccc(Br)c2Br)CC1 2122931335 VJBZAOSREUIFGV-AAEUAGOBSA-N 453.056 6.734 50 10 JKGE Clc1c(Br)ccc(CBr)c1OCc1cccc(Br)c1 2135983704 OJCDYGAFLIUXLD-UHFFFAOYSA-N 469.398 6.339 50 10 JKGE CCCN[C@H](c1c(C)c(Br)cc(C)c1Br)[C@@H]1C[C@@H]1Br 2136365188 VQVLWPGNYJNQEE-GMXABZIVSA-N 454.044 5.653 50 10 JKGE Cc1cc(Br)c(C)c([C@@H](Br)CC[C@H]2CCOC2)c1Br 2136369059 ZVKAYQHPOFBPEH-RYUDHWBXSA-N 455.028 6.081 50 10 JKGE CCC[C@@H]1CN(Cc2ccc(Br)cc2Br)C[C@H]1CBr 2140786234 LLWAYEACEITBOC-DGCLKSJQSA-N 454.044 5.455 50 10 JKGE COc1c(C)cc(Br)cc1[C@H](Cl)c1cc(Br)sc1Br 2141638355 BMJKPLUDPCLIGH-NSHDSACASA-N 489.454 6.681 50 10 JKGE COC[C@@H]1CC[C@H](Cc2ccc(I)c(Cl)c2)C[C@@H]1Br 2142939644 ILYAADKDTNMXCL-WXHSDQCUSA-N 457.577 5.313 50 10 JKGE Fc1ccc(C(CBr)(CBr)Cc2snc(Cl)c2Cl)cc1 2167231500 MBEJKKNZNHCMLQ-UHFFFAOYSA-N 462.009 5.859 50 10 JKGE C[C@@H]1C[C@@H](n2c(CCl)nc3c(Br)cc(F)cc32)CN(Cc2ccccc2)C1 2184260738 OIWBXCOOCGHNHV-RHSMWYFYSA-N 450.783 5.760 50 10 JKGE CCCCCc1ccc([C@@H](Cl)c2ccc(I)c(Br)c2)s1 2197249462 RJMFKOPWWLCZPF-INIZCTEOSA-N 483.640 7.176 50 10 JKGE COc1cc2c(cc1Br)nc([C@H](C)Cl)n2[C@H](C)CN(C)Cc1ccccc1 2202311976 MOBURAJXBMHQQK-CABCVRRESA-N 450.808 5.800 50 10 JKGE COc1cc(F)c([C@@H](Br)c2cccc(Br)c2Cl)cc1Br 2202903815 JHGRDZZMLVPMMU-ZDUSSCGKSA-N 487.388 6.497 50 10 JKGE COc1ccc([C@H](Cl)c2ccc(Br)c(C)c2Br)cc1Br 2203687561 XKNNWSGZEAILBU-HNNXBMFYSA-N 483.425 6.619 50 10 JKGE C[C@H](COCc1ccccc1)Cn1c(CCl)nc2cc(Br)c(Br)cc21 2218662711 YESHXISJKWEIEL-ZDUSSCGKSA-N 486.635 6.153 50 10 JKGE C[C@H](C[C@@H](Br)c1c(Br)cc(Cl)c(Cl)c1Cl)C(F)(F)F 2224317972 SKCYDOOYCIZVFJ-RFZPGFLSSA-N 463.346 7.434 50 10 JKGE CCOCc1cc(Br)c([C@@H](Br)c2nn(C)cc2Br)s1 2224797396 XIFCTXUMRTWZLS-JTQLQIEISA-N 473.028 5.027 50 10 JKGE Fc1cc(Br)c(Br)cc1[C@@H](Br)[C@@H]1COc2ccccc21 2233978293 ZWNSJQRMOVLJQK-MEBBXXQBSA-N 464.954 5.963 50 10 JKGE Fc1cc(Br)c(Br)cc1[C@@H](Br)[C@H]1CCCCCC1(F)F 2233982153 RGSMDOHSOVYQQV-NOZJJQNGSA-N 478.972 7.002 50 10 JKGE Cc1cc(Br)c([C@H](Br)c2cc(Cl)ccc2F)c(C)c1Br 2235603596 KDLQJUOLAMEGIC-OAHLLOKOSA-N 485.416 7.105 50 10 JKGE Clc1ccccc1[C@H](CBr)OCCOCCOCCOCc1ccccc1 2236088234 DWVGRPZCFOSZNT-NRFANRHFSA-N 457.792 5.043 50 10 JKGE Clc1cc([C@@H](Br)Cc2cc(Br)cc(Br)c2)sn1 2252838641 GIJBCVZYDOWOCG-VIFPVBQESA-N 460.416 6.000 50 10 JKGE COc1c(Br)cc(Cl)c(C)c1[C@H](Br)[C@H]1C[C@H](Br)C1 2263447994 HSBYDPZASGBRDR-DNSOKLHBSA-N 461.419 6.029 50 10 JKGE COCCCCCCC(CBr)(CBr)c1ccc(Br)cc1 2287491267 RLKNDLSZOUELPD-UHFFFAOYSA-N 471.071 6.074 50 10 JKGE C=CC[C@]1(CBr)CCN(C(=O)c2cccc(Br)c2Br)C1 2287755000 WETQBYIRRIGNSN-OAHLLOKOSA-N 466.011 5.015 50 10 JKGE N#CC(=Cc1ccc(OCCCOc2ccc(Cl)cc2)c(Cl)c1)C(=O)NCc1ccco1 2293724488 IMUYQTZUXJYYIG-UHFFFAOYSA-N 471.340 5.658 50 10 JKGE C#CCOc1cc(Br)c(C=C(C#N)C(=O)Nc2cccc(Cl)c2C)cc1OCC 2294187341 BMNJONKQCPYUDR-UHFFFAOYSA-N 473.754 5.367 50 10 JKGE Clc1cc(Br)cnc1COc1c(Cl)cc(CBr)cc1Cl 2296300152 DMUSHQJDIUULSG-UHFFFAOYSA-N 460.380 6.278 50 10 JKGE CC(C)Oc1ccc(-c2nn(-c3ccccc3)cc2C=C(C#N)C(=O)NCc2ccco2)cc1 2296539325 NOCFFNWLBSGIRL-UHFFFAOYSA-N 452.514 5.143 50 10 JKGE COC(=O)c1cc(C=C(C#N)c2nc(-c3cccc4ccccc34)cs2)cc(C(=O)OC)c1 2296802172 WBRHGXVVMOPLTG-UHFFFAOYSA-N 454.507 5.601 50 10 JKGE Cc1ccc(C)c(OCCn2cc(C=C(C#N)C(=O)NCc3cccs3)c3ccccc32)c1 2297709438 YFOHMWWHKGWRLV-UHFFFAOYSA-N 455.583 5.622 50 10 JKGE FC(F)(F)COC[C@H](Br)c1cc(Br)ccc1OCc1ccccc1 2299492736 IZPAGKCNGKDEAF-HNNXBMFYSA-N 468.107 6.043 50 10 JKGE Cc1c(Br)csc1[C@H](Cl)c1ccc(OCc2ccccc2)cc1Br 2299497997 YMQJPPMKQGHALT-GOSISDBHSA-N 486.656 7.489 50 10 JKGE Clc1ccc(I)cc1CNCCCCCCI 2307334520 RNCLHOOZAXSBSM-UHFFFAOYSA-N 477.555 5.030 50 10 JKGE Cc1ccc(CN(Cc2ccccc2)[C@H](CBr)C2CC2)c(O)c1Br 2307565335 MAMDTGKRLWYRDL-GOSISDBHSA-N 453.218 5.639 50 10 JKGE Cc1cc(C=C(C#N)C(=O)NCCc2c[nH]c3ccccc23)c(C)n1-c1cccc(Br)c1 2313556001 ILCRWPLVZABUBW-UHFFFAOYSA-N 487.401 5.604 50 10 JKGE CCOc1cc(C=C(C#N)C(=O)Nc2ccc(C)cc2)ccc1OCc1ccc([N+](=O)[O-])cc1 2313568736 WQJHQFKWMMJWSX-UHFFFAOYSA-N 457.486 5.427 50 10 JKGE N#CC(=Cc1ccc(-c2ccc(SC(F)F)cc2)o1)C(=O)NN=Cc1ccc(Cl)cc1Cl 2314397448 NWVBBGOFKXZJBE-UHFFFAOYSA-N 492.334 6.625 50 10 JKGE COc1c([C@H](Br)c2ccc(OCc3ccccc3)cc2Br)csc1C 2314446823 XQWJPZCFAOZZGG-LJQANCHMSA-N 482.237 6.891 50 10 JKGE N#CC(=Cc1ccc(N2N=C(c3ccccc3)C[C@H]2c2ccccc2)cc1)c1ccc(Cl)cc1 2314482270 FJSJHSRGDQOSMQ-PMERELPUSA-N 459.980 7.760 50 10 JKGE Fc1ccc(F)c([C@@H](Br)c2ccc(OCc3ccccc3)cc2Br)c1 2314502185 GEAHIJRUFACQDA-FQEVSTJZSA-N 468.135 6.791 50 10 JKGE CC(C)c1ccc(N2C(=O)[C@H](Cc3ccccc3F)SC2=C(C#N)C(=O)NCc2ccco2)cc1 2314593232 JYEVETOWXPHVNU-DEOSSOPVSA-N 489.572 5.285 50 10 JKGE CC[C@H](C)N1C(=O)C(=Cc2cn(-c3ccccc3)nc2-c2c(C)cc(C)cc2C)C(C)=C(C#N)C1=O 2314611259 RTFYKKKMZYAJFZ-NRFANRHFSA-N 478.596 5.855 50 10 JKGE COc1ccc(C=CC(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@@H]3c2ccc(C(C)C)cc2)cc1 2314634237 JQNJHXSSXDLNNB-MUUNZHRXSA-N 466.537 5.656 50 10 JKGE Cc1cc(Br)c(F)c(Br)c1[C@@H](Br)[C@]1(Cl)CC1(C)C 2317410090 GRVZSSKDSKUGDJ-DGCLKSJQSA-N 463.410 6.503 50 10 JKGE Cc1nc(-c2ccc(Cl)cc2)ccc1C(=O)NN=Cc1cc(Cl)cc(Br)c1O 2321213109 IALGCAYUZMUNGP-UHFFFAOYSA-N 479.161 5.596 50 10 JKGE CCCOc1ccc(C=NNC(=O)c2ccc3nc(Cc4ccccc4)[nH]c3c2)cc1OCC 2323721199 WFSNSPMBSJYVMQ-UHFFFAOYSA-N 456.546 5.105 50 10 JKGE CN(C)c1ccc(C(O)=C(C#N)c2nc(-c3ccc(-c4ccccc4)cc3)cs2)cc1[N+](=O)[O-] 2331232789 YBVLIUAYNXUIGQ-UHFFFAOYSA-N 468.538 6.401 50 10 JKGE COc1ccc(-c2csc(C(C#N)=C(O)c3ccc4c(c3)C(=O)N(C(C)(C)C)C4=O)n2)cc1 2331273826 VKBMENIIZBASGE-UHFFFAOYSA-N 459.527 5.163 50 10 JKGE N#CC(=C(O)C=Cc1ccc2c(c1)OCCO2)c1nc(-c2ccc(Cl)c(Cl)c2)cs1 2331311414 DAQUBKWSVPMBOC-UHFFFAOYSA-N 457.338 6.394 50 10 JKGE COc1cc(C=CC(O)=C(C#N)c2nc(-c3ccc(Cl)c(Cl)c3)cs2)cc(OC)c1OC 2331311691 NWBUVMUASHUYRC-UHFFFAOYSA-N 489.380 6.649 50 10 JKGE N#CC(=C(O)c1ccc(N2C(=O)c3ccccc3C2=O)cc1)c1nc(-c2cccs2)cs1 2331326213 MCXNXQNWKJHXDK-UHFFFAOYSA-N 455.520 5.622 50 10 JKGE COc1cc(C)c(-c2csc(C(C#N)=C(O)c3ccc(Cl)cc3[N+](=O)[O-])n2)cc1C(C)C 2331358522 HRBJTDUPCCZUDC-UHFFFAOYSA-N 469.950 6.762 50 10 JKGE CC(C)C[C@H](C(O)=C(C#N)c1nc(-c2ccc(Cl)s2)cs1)N1C(=O)c2ccccc2C1=O 2331400682 IRZONBMQTPRDSJ-QGZVFWFLSA-N 484.002 6.029 50 10 JKGE COc1cc(C)c(-c2csc(C(C#N)=C(O)c3ccc(N4CCCC4)c([N+](=O)[O-])c3)n2)cc1C 2331402910 GNSCAYPZDAXRFG-UHFFFAOYSA-N 476.558 5.894 50 10 JKGE CCCCCOc1ccc(C=C(C#N)c2nc(-c3cc(OC)ccc3OC)cs2)cc1OCC 2331450541 WNFKOASNBICOQS-UHFFFAOYSA-N 478.614 6.859 50 10 JKGE Brc1ccc(OCc2ccccc2)c([C@@H](Br)C2(c3ccccc3)CC2)c1 2336047430 LVQPCPJHGZWGCQ-JOCHJYFZSA-N 472.220 7.196 50 10 JKGE COc1cccc([C@@H](Br)c2cc(Br)ccc2OCc2ccccc2)c1C 2336050143 IMJFIVHXTIHJLR-JOCHJYFZSA-N 476.208 6.829 50 10 JKGE Fc1c(Br)cc(Cl)c([C@H](Br)CCOCC(F)F)c1Br 2337114780 UDVHRBKMOYKXIH-RXMQYKEDSA-N 489.351 6.112 50 10 JKGE CC1(C)CC[C@H](CBr)N(Cc2ccc(Cl)c(I)c2)C1 2337222886 FFAFYYWBVCAQOL-GFCCVEGCSA-N 456.593 5.330 50 10 JKGE Cc1c([C@@H](Cl)c2cc(Br)ccc2OCc2ccccc2)ccc(Cl)c1Cl 2339131700 MVOZOYFQQAMRRF-OAQYLSRUSA-N 470.621 7.972 50 10 JKGE COc1c(Br)cc(C)c([C@H](Br)C2(CF)CCC2)c1Br 2339675975 UALBGPJBJZGTLQ-ZDUSSCGKSA-N 458.991 6.104 50 10 JKGE Clc1ccc(CN2C[C@@H](Br)C3(CCCC3)C2)c(I)c1 2341059376 KISPOEBAMQCFNB-CQSZACIVSA-N 454.577 5.084 50 10 JKGE C[C@@H](Br)CN(Cc1ccc(Br)cc1Br)C1CCCC1 2342946221 MYEHOWQKWAOZEV-LLVKDONJSA-N 454.044 5.740 50 10 JKGE Cc1nc(Br)c([C@H](Br)c2csc3c(Br)cccc23)n1C 2362442876 SMEWGCGVGLUNGX-LLVKDONJSA-N 479.035 5.953 50 10 JKGE Cc1c(Br)sc([C@@H](Br)c2cc(F)ccc2C(F)F)c1Br 2363672322 BNJICVQSFWCRTN-JTQLQIEISA-N 492.980 7.143 50 10 JKGE CC1(C)COC[C@H]1CC(CBr)(CBr)c1cccc(Br)c1 2364396864 HRRUQTWAFTVKBG-CYBMUJFWSA-N 469.055 5.539 50 10 JKGE Cc1cc(Br)c(F)c(Br)c1[C@@H](Br)[C@H](CC(C)C)C(C)C 2365188422 LAFOAQVUHKZCSO-RISCZKNCSA-N 473.062 7.413 50 10 JKGE COCC1(C[C@H](Br)c2c(C)cc(Br)c(OC)c2Br)CC1 2365189161 RWRBWMUMSZAUEK-NSHDSACASA-N 471.027 5.781 50 10 JKGE COc1cc(Br)c(C)cc1[C@@H](Cl)c1ccc(Cl)cc1I 2365598079 NMIYTIJBGIHFKN-HNNXBMFYSA-N 485.974 6.352 50 10 JKGE COc1cccc(CBr)c1OCc1ccc(Cl)cc1I 2366727048 ARUCKJRFBWAWAX-UHFFFAOYSA-N 467.528 5.427 50 10 JKGE CC1CCC([C@@H](CBr)NCc2cc(I)ccc2Cl)CC1 2380516853 HNGBGMUBIAHPLQ-ZEPSKSRBSA-N 470.620 5.624 50 10 JKGE CC[C@@H](Oc1cccc(C)c1)C(=O)NNC(=O)c1ccc(NC(=O)c2ccc(C(C)(C)C)cc2)cc1 14023371 XAQPCEHZRMVZRN-RUZDIDTESA-N 487.600 5.163 50 10 JKGE CCCOc1cccc(C(=O)NNC(=O)c2ccc(NC(=O)c3ccc(C(C)(C)C)cc3)cc2)c1 14641267 QNHUYKLDQWBPSV-UHFFFAOYSA-N 473.573 5.100 50 10 JKGE COc1cc(C(=O)Oc2ccc(/C=C(/C#N)c3ccccc3)cc2)c(Br)c(OC)c1OC 31900317 XVHXCBMQPBYRDG-AQTBWJFISA-N 494.341 5.758 50 10 JKGE C[C@@H](Oc1ccc(Cl)cc1Cl)C(=O)Oc1ccc(/C=C(/C#N)c2ccc(Cl)cc2)cc1 31901346 HLGKWZALDZDGAT-PWDRBQJJSA-N 472.755 7.084 50 10 JKGE Cc1ccsc1/C=C(/C#N)c1nc(-c2cc3cc(Br)ccc3oc2=O)cs1 33409541 PPXAXGMDZNCEAE-JYRVWZFOSA-N 455.358 6.113 50 10 JKGE CCOC(=O)/C(C#N)=C1/S[C@@H](Cc2ccc(Cl)cc2Cl)C(=O)N1c1ccc(C)cc1 33729348 BZOWRJSFLOHFJE-MXTRNAPSSA-N 461.370 5.291 50 10 JKGE CC(C)c1ccccc1N1C(=O)CS[C@@H]1c1ccc(NC(=O)[C@H](Cl)c2ccccc2)cc1 35927518 OVSUEIDDYPBGGB-AOYPEHQESA-N 465.018 6.507 50 10 JKGE Cc1cccc(OCC(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@H]3c2c(Cl)cccc2Cl)c1C 38679906 OKRZAEMCVLLARH-DEOSSOPVSA-N 495.362 5.813 50 10 JKGE C=CCOc1ccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4ccccc4OCC)ccc32)cc1OC 38681175 ZZALJNAJYQIYSW-HHHXNRCGSA-N 498.535 5.096 50 10 JKGE CCCOc1ccccc1[C@@H]1C(C#N)=C(N)Oc2cc(OC(=O)c3ccc(Cl)cc3)ccc21 40529706 OYUIRGLWILIIKK-DEOSSOPVSA-N 460.917 5.566 50 10 JKGE Cc1cc(Oc2ncnc(NNC(=O)c3ccc(Cl)cc3Cl)c2[N+](=O)[O-])ccc1Cl 40658802 FHFGTCNOHGZZKA-UHFFFAOYSA-N 468.684 5.203 50 10 JKGE Cc1ccc(C)c(NC(=O)c2oc3c(c2C)/C(=N/NC(=O)c2ccc(-c4ccccc4)cc2)CCC3)c1 40822644 UFSOSQHFCWQLRB-INKHBPHZSA-N 491.591 6.595 50 10 JKGE COc1cc(/C=C(/C#N)C(=O)NC2CCCCC2)ccc1OCc1c(Cl)cccc1Cl 40889404 NQXYXHWXCLWLJD-ATVHPVEESA-N 459.373 5.937 50 10 JKGE COc1ccc(/C(CSc2nc3ccccc3[nH]2)=N\NC(=O)c2ccccc2Cl)cc1 59460706 MCKHWKDZRLFCBD-MEFGMAGPSA-N 450.951 5.151 50 10 JKGE CCCCC1CCC(C(=O)N2c3ccc(C[C@@H](Br)CC(C)C)cc3C[C@@H]2C)CC1 71436769 CMPJNRIPMZALEV-OZMAMDIPSA-N 462.516 7.313 50 10 JKGE N#C/C(=C/c1cccc(OCc2ccc(Cl)cc2)c1)C(=O)Nc1cc(Cl)cc(Cl)c1 96401912 FOMFXYTZYXOIBX-IUXPMGMMSA-N 457.744 6.771 50 10 JKGE BrCC1(COc2c(Br)cc(Br)cc2Br)CCC1 96870686 JQUWCPBWPRVYMD-UHFFFAOYSA-N 491.843 5.918 50 10 JKGE C=CCOc1ccc(-c2nn(-c3ccccc3)cc2/C=C(\C#N)C(=O)N[C@@H](C)c2ccccc2)cc1C 102860518 MYVYRAVFAMWUSI-GJFYNSNLSA-N 488.591 6.197 50 10 JKGE CCCCCC1=CCC/C1=N/NC(=O)c1ccc(COc2ccccc2-c2ccccc2)cc1 103311661 HCTFAISXYYXFHO-PNOGMODKSA-N 452.598 7.319 50 10 JKGE Br[C@H](c1ccc(-c2ccccc2)cc1)c1csc(I)c1 124407608 MHJDEZSNTJOHCI-QGZVFWFLSA-N 455.158 6.504 50 10 JKGE CC(C)(C)c1ccc(Cn2cccc(C(=O)N/N=C\c3ccc(Cl)c(Cl)c3)c2=O)cc1 169921220 QSGUXMMESODPRE-VYYCAZPPSA-N 456.373 5.265 50 10 JKGE Cc1ccc(/C=C\C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@@H]3c2ccc(C(C)C)cc2)cc1 205640623 UHOPRBSVPIRZSG-MWPQVSDCSA-N 450.538 5.955 50 10 JKGE CCCCCCCOc1ccc(/C=C2\C(=O)N(Cc3ccco3)C(=O)C(C#N)=C2C)cc1OCC 214319532 MUTFSSHSTVSZNR-KQWNVCNZSA-N 476.573 5.820 50 10 JKGE CCOc1cc(/C=C2\C(=O)N([C@H](C)c3ccccc3)C(=O)C(C#N)=C2C)ccc1OCC(C)C 214342719 GKNQOWABVCJKFU-SPMKTWQFSA-N 458.558 5.474 50 10 JKGE Cc1cc(I)ccc1N/C=C(/C#N)C(=O)Nc1ccccc1C(F)(F)F 217055563 KMGXZZCENPVHLD-BENRWUELSA-N 471.220 5.077 50 10 JKGE Cc1sc([C@H](Br)c2ccc(Br)cc2C(F)(F)F)cc1Br 229519106 QDTPYODLSGPLDA-GFCCVEGCSA-N 492.980 7.085 50 10 JKGE Brc1cc(Br)cc([C@H](Br)c2sccc2Br)c1 232481897 QMRYIOFXYJGKQK-JTQLQIEISA-N 489.852 6.520 50 10 JKGE CC(C)CCC[C@H](C)[C@@H]1CC[C@@H]2[C@@H]3CC=C4C[C@H](SC(=O)Cl)CC[C@]4(C)[C@@H]3C[C@@H](C)[C@H]12 253534603 RVIFINDCMXZRRC-DDLZVSILSA-N 465.187 9.344 50 10 JKGE COc1ccc(C(=NNC(=O)c2cn(-c3ccccc3)nc2-c2ccccc2)c2ccccc2)cc1 254506697 YOWTUMCDQGFONG-UHFFFAOYSA-N 472.548 5.730 50 10 JKGE C[C@H]1CCc2sc(C(=O)NN=Cc3cn(-c4ccccc4)nc3-c3cc4ccccc4o3)cc2C1 254747001 OPJZHKFLMAXIFA-SFHVURJKSA-N 480.593 6.236 50 10 JKGE C[C@]12CC[C@@H]3c4ccc(O)cc4C[C@H](CCCCCCCCCBr)[C@@H]3[C@@H]1CC[C@H]2O 257048136 ILWDBZWOZQESSY-KZTCKOQFSA-N 477.527 7.351 50 10 JKGE Cc1ccc(Br)c([C@@H](Br)c2cc3c(cc2Br)OCC3)c1 308416813 OVMNGIOUGLMDBL-MRXNPFEDSA-N 460.991 5.939 50 10 JKGE Cl[C@H](c1ccc(OCc2ccccc2)cc1)c1cc(Br)ccc1Br 310512098 QOKLYBUQTAQMQS-HXUWFJFHSA-N 466.600 7.119 50 10 JKGE CCc1cc(C)sc1[C@@H](Br)c1cc(Br)cc(Br)c1 311209041 KMDUFDKCTGZWFC-ZDUSSCGKSA-N 453.037 6.628 50 10 JKGE Fc1cc(Br)ccc1COc1cccc(CBr)c1Br 315496679 BRCCFELTSFXZAS-UHFFFAOYSA-N 452.943 5.825 50 10 JKGE CN(Cc1ccccc1)CC(C)(C)n1c(CCl)nc2cc(I)c(F)cc21 379603307 FGQSIUAINFCVDS-UHFFFAOYSA-N 485.772 5.386 50 10 JKGE CC(C)(C)OC(=O)N1C[C@H](c2ccc(Cl)cc2Br)[C@@H](CBr)C1 382692724 JIECCWZZGQRUGI-GWCFXTLKSA-N 453.602 5.448 50 10 JKGE C[C@@H](Cl)c1nc2cc(F)c(Br)cc2n1C[C@H]1CCCN1Cc1ccccc1 390553266 ZCYDIDDFYNEHLV-GDBMZVCRSA-N 450.783 5.902 50 10 JKGE CC[C@@H](CC(F)(F)F)[C@@H](Br)c1cc(Br)ccc1Br 402486453 NNKOZUSAXGIMCZ-WRWORJQWSA-N 452.934 6.626 50 10 JKGE C[C@@H](c1ccccc1)N1CCCO[P@@]1(=O)N(CCCl)CCO[Si](C)(C)C(C)(C)C 504627064 NHGIEBZSYGSGFI-VKGTZQKMSA-N 461.059 6.141 50 10 JKGE in-vitro N#CSc1ccc(NC(=O)c2cccc(NC(=O)NCc3cccc(C(F)(F)F)c3)c2)cc1 586633011 IPDHYZNDPVILNH-UHFFFAOYSA-N 470.476 5.853 50 10 JKGE Cc1cc([C@H](Br)c2scc(Br)c2Br)sc1Cl 705411445 XWTDOECJYOUSEH-QMMMGPOBSA-N 465.457 6.781 50 10 JKGE COc1ccc(C[C@H](Br)c2scc(Br)c2Br)cc1 705483579 CVVPJDJSBSELFQ-JTQLQIEISA-N 455.009 5.960 50 10 JKGE ClCc1nc2ccc(Cl)cc2n1CC1(N(Cc2ccccc2)Cc2ccccc2)COC1 705869533 NPIVBGMNBFADHW-UHFFFAOYSA-N 466.412 5.900 50 10 JKGE O=C(Nc1ccc(CBr)cc1)c1scc(Br)c1Br 707809953 DSGMITLVKKRGCN-UHFFFAOYSA-N 453.981 5.420 50 10 JKGE Fc1ccc([C@@H](Br)c2ccc(I)c(Br)c2)cc1F 721590923 AZZKJRQXVOFULY-ZDUSSCGKSA-N 487.907 5.816 50 10 JKGE Cc1c(C=NNC(=O)c2ccccc2Br)c2ccccc2n1Cc1ccc([N+](=O)[O-])cc1 1084324865 KTKJXNDXGSDMDX-UHFFFAOYSA-N 491.345 5.433 50 10 JKGE CC(=NNC(=O)CSc1ccccc1)c1ccc2c(c1)[C@@H]1C=CC[C@@H]1[C@H](c1ccccc1Cl)N2 1084650459 UTORUVKJUZOYFI-RZIGYZOXSA-N 488.056 6.799 50 10 JKGE O=C(OCc1ccccc1)N1C[C@H](c2ccccc2C(F)(F)F)[C@@H](CI)C1 1614702642 KKLZHXIJPIPEIW-RDJZCZTQSA-N 489.275 5.493 50 10 JKGE Cc1ccccc1C(=O)NN=C1CCCc2oc(C(=O)Oc3cccc4cccnc34)c(C)c21 1772743902 NLPLIIVOWUUPIN-UHFFFAOYSA-N 453.498 5.134 50 10 JKGE COc1ccc(OCCCOc2cccnc2NC(=O)Nc2ccc(SC#N)cc2)cc1 1858859477 XHZUTESKVHWJSX-UHFFFAOYSA-N 450.520 5.155 50 10 JKGE C[C@@H](Oc1ccc(Cl)cc1Cl)C(=O)Nc1cccc(C(=O)Nc2ccc(SC#N)cc2)n1 1860561928 XKCAWGOVKKVKAF-CYBMUJFWSA-N 487.368 5.620 50 10 JKGE CCCc1nn(Cc2ccccc2F)c2c1[C@H](c1ccc(Cl)c(Cl)c1)C(C#N)=C(N)O2 1865685709 LULGKZPPTWXMSP-HXUWFJFHSA-N 457.336 5.548 50 10 JKGE COc1ccc(-c2nn(-c3ccc(OC)cc3)c3c2[C@@H](c2ccc(C(C)C)cc2)C(C#N)=C(N)O3)cc1 1865686191 SEZIXCKOVOLARK-SANMLTNESA-N 492.579 5.898 50 10 JKGE CCCn1nc(-c2ccccc2)c2c1OC(N)=C(C#N)[C@H]2c1ccc(OCc2ccc(Cl)cc2)cc1 1865696083 XHFHWRVKFGOEQY-RUZDIDTESA-N 496.998 6.411 50 10 JKGE Cc1nn(-c2ccc(Cl)c(Cl)c2)c2c1[C@@H](c1cc(Br)ccc1F)C(C#N)=C(N)O2 1865701725 COTUIHMBUVDYJV-SFHVURJKSA-N 494.151 5.607 50 10 JKGE CCN(Cc1ccccc1)c1ccc([C@H]2C(C#N)=C(N)Oc3c2c(-c2ccccc2)nn3C)cc1 1865707245 RSTIKUKJGYKVNW-VWLOTQADSA-N 461.569 5.332 50 10 JKGE Cc1nn(Cc2ccccc2F)c2c1[C@H](c1cccc(OCc3ccccc3)c1)C(C#N)=C(N)O2 1865711858 JMSDBRNOIQUCGO-AREMUKBSSA-N 466.516 5.176 50 10 JKGE COc1cccc([C@H]2C(C#N)=C(N)Oc3c2c(C(F)(F)F)nn3-c2cccc3ccccc23)c1 1865711990 MYXZUJKBDZEDMW-FQEVSTJZSA-N 462.431 5.271 50 10 JKGE Cc1nc(-c2ccc(Cl)cc2Cl)ccc1C(=O)NNC(=O)c1ccc(Br)cc1 1865759872 WTBOYTVLDIMAOW-UHFFFAOYSA-N 479.161 5.201 50 10 JKGE COc1ccc(N(C)c2cc(Nc3ccc(SC#N)cc3)nc(-c3cccnc3)n2)cc1OC 1868564474 BIGLHBZTWGIVOI-UHFFFAOYSA-N 470.558 5.640 50 10 JKGE COc1ccc(-c2csc(/C(C#N)=C(\O)Cc3ccc(Br)cc3)n2)c(C)c1C 1872753804 NKAYHOBAAWTMNW-ZZEZOPTASA-N 455.377 6.233 50 10 JKGE Cc1cc(C)c(C)c(-c2csc(/C(C#N)=C(\O)CN3C(=O)COc4ccc(Cl)cc43)n2)c1C 1872754060 ALTJVINAICJLHR-UZYVYHOESA-N 479.989 5.915 50 10 JKGE CCOc1ccc(-c2csc(/C(C#N)=C(\O)c3cc(Cl)ccc3Cl)n2)c(OCC)c1 1872755554 SSDQLDJOFFYMOX-FXBPSFAMSA-N 461.370 6.864 50 10 JKGE C[C@H](Oc1ccc(Cl)cc1Cl)/C(O)=C(\C#N)c1nc(-c2ccc(Cl)s2)cs1 1872757908 BSLBMTKMORWKOB-MQAXGYDLSA-N 457.791 7.092 50 10 JKGE Cc1cc(OC/C(O)=C(\C#N)c2nc(-c3cc(Cl)ccc3Cl)cs2)ccc1Cl 1872758790 QQDFZXMLHIYUIX-CYVLTUHYSA-N 451.762 6.950 50 10 JKGE COc1ccc(-c2csc(/C(C#N)=C(\O)[C@@H](C)Oc3ccc(Cl)cc3Cl)n2)c2ccccc12 1872758962 YOPWFXMMJMRDFR-QSUUMFCUSA-N 497.403 7.539 50 10 JKGE COc1ccc(-c2csc(/C(C#N)=C/c3ccc(OCCCc4ccccc4)c(OC)c3)n2)cc1 1872780813 MOWGABPNZIPZPX-JJIBRWJFSA-N 482.605 6.903 50 10 JKGE N#C/C(=C\c1ccccc1OCc1ccc(Cl)cc1)c1nc(-c2ccc(F)cc2F)cs1 1872784733 YLKNKVWRECMYMU-WOJGMQOQSA-N 464.924 7.385 50 10 JKGE COc1ccc(-c2csc(/C(C#N)=C/c3cc(Br)cc(OC)c3O)n2)cc1Cl 1872794644 NVVOESKMKCWAIW-WLRTZDKTSA-N 477.767 6.013 50 10 JKGE C[C@H](CCl)N(Cc1ccccc1)C(=O)c1cc(Br)c(Br)s1 1914224986 LJNKNCKJSGQMDQ-SNVBAGLBSA-N 451.611 5.543 50 10 JKGE O=C(c1cccc(F)c1I)N(Cc1ccccc1)[C@@H](CCl)C1CC1 1915204626 RCDMLALTQGHEJF-KRWDZBQOSA-N 457.714 5.090 50 10 JKGE Cc1cc(C(=O)N(Cc2ccccc2)[C@@H](CBr)C(C)C)sc1Br 1915288242 HUVVRPZGBAYGTR-HNNXBMFYSA-N 459.247 5.881 50 10 JKGE Cl[C@@H](c1ccsc1Br)c1sc(Br)cc1Br 1922897334 MRWPJKYFMKDAMJ-ZETCQYMHSA-N 451.430 6.425 50 10 JKGE Cl[C@H](CC1CCCC1)c1c(Br)sc(Br)c1Br 1924581147 YGWMTWKRYISFFH-SSDOTTSWSA-N 451.449 6.896 50 10 JKGE COc1cccc([C@@H](Cl)c2c(Br)sc(Br)c2Br)c1 1924584671 AYMDBMSREXEQMC-SNVBAGLBSA-N 475.427 6.372 50 10 JKGE FC1(C[C@H](Cl)c2c(Br)sc(Br)c2Br)CCC1 1994684730 BTHZRWHRTWKGBZ-YFKPBYRVSA-N 455.412 6.598 50 10 JKGE Cc1c([C@H](Br)c2cc(Br)c(Cl)s2)nn(C)c1Br 2002831329 UXZPMNKKLHWWGY-SSDOTTSWSA-N 463.420 5.453 50 10 JKGE CC(C)(C)OC(=O)N1CCC(CI)(O[C@H]2CC(C)(C)C2(C)C)CC1 2025011573 QPMGYCPPLXQFPP-AWEZNQCLSA-N 451.389 5.032 50 10 JKGE Clc1cc(C[C@@H](Br)c2ccccc2Br)ccc1Br 2050536650 XCNFVTFPXVLPLJ-CYBMUJFWSA-N 453.399 6.544 50 10 JKGE CC[C@H](Br)CN(Cc1ccccc1)C(=O)c1cc(Br)ccc1[N+](=O)[O-] 2065844438 GWEZFEBALATJMH-AWEZNQCLSA-N 470.161 5.173 50 10 JKGE CCn1cc(Br)c([C@H](Br)c2c(Br)sc(C)c2C)n1 2082883764 HNHQASHKXDICNP-SNVBAGLBSA-N 457.029 5.591 50 10 JKGE BrC[C@H](NCc1cccc(Br)c1Br)C1CCCCC1 2092339593 GEUCNEAYQPZFQZ-AWEZNQCLSA-N 454.044 5.645 50 10 JKGE Cc1sc(Br)cc1[C@@H](Br)c1cc(Br)cc2c1OCC2 2095698941 KYWRUSPSDQOQNC-CYBMUJFWSA-N 467.020 6.001 50 10 JKGE FC(F)(F)c1sccc1[C@@H](Cl)c1c(Br)sc(Br)c1Cl 2101412489 BOYYPWLZWZENDX-RXMQYKEDSA-N 474.976 7.335 50 10 JKGE Fc1ccccc1[C@H](Br)CCc1cc(Cl)ccc1I 2113383743 HCCXOLGYISIQOG-CYBMUJFWSA-N 453.520 6.153 50 10 JKGE Fc1cc(Br)cc(Oc2cc(Cl)cc(Br)c2)c1CBr 2114266626 VOJUBCMRXCCDDQ-UHFFFAOYSA-N 473.361 6.691 50 10 JKGE COc1ccsc1[C@@H](Br)c1c(C)c(Br)cc(C)c1Br 2136379669 MVGVGXVXIGAWLE-ZDUSSCGKSA-N 469.036 6.383 50 10 JKGE Cc1c(Br)ccc([C@@H](Br)[C@H]2C[C@H](C)O[C@H](C)C2)c1Br 2138866478 UHHXNQALYMRMQN-NVZXWFNYSA-N 455.028 6.160 50 10 JKGE Fc1cc(F)c(F)c([C@@H](Br)c2c(Br)cccc2Br)c1F 2150494419 HYHKKGCPPXLMHO-NSHDSACASA-N 476.887 6.252 50 10 JKGE CC1(C)CCC[C@]1(CBr)NC(=O)c1ccc(I)c(Cl)c1 2150546358 SPLLDMYTASDRCM-OAHLLOKOSA-N 470.576 5.018 50 10 JKGE Cc1cc(C)c([C@@H](Br)c2nn(C)c(Br)c2C)c(C)c1Br 2168216536 VJYAJATXHSCODS-CYBMUJFWSA-N 465.027 5.663 50 10 JKGE C[C@]1(Cn2c(CCl)nc3cc(Cl)c(Br)cc32)CCN(Cc2ccccc2)C1 2169015488 NFKCKHRFIROEEQ-NRFANRHFSA-N 467.238 6.103 50 10 JKGE COc1cc(C)c([C@@H](Cl)c2cc(Cl)ccc2I)cc1Br 2198733303 UTCITSJRNSVMSR-OAHLLOKOSA-N 485.974 6.352 50 10 JKGE Cc1cc(Br)c(C)c([C@H](Cl)c2ccc(Cl)cc2Cl)c1Br 2201078624 PQBQVWOKMUQBSW-OAHLLOKOSA-N 457.420 7.463 50 10 JKGE COc1cc(Cl)c([C@@H](Br)c2ccc(Br)cc2F)cc1Br 2202354039 VLHGNSNDYZCWNW-AWEZNQCLSA-N 487.388 6.497 50 10 JKGE COc1cccc(C[C@H](Br)c2ccc(Br)c(C)c2Br)c1 2203689892 ZVBYRRLSGPEJCP-HNNXBMFYSA-N 463.007 6.207 50 10 JKGE Cc1cccc(C[C@H](CBr)Cc2ccc(I)c(Cl)c2)c1 2208043677 JFOQAIJYYVLJAR-HNNXBMFYSA-N 463.584 6.049 50 10 JKGE CN(CCn1c(CCl)nc2cc(Br)c(Br)cc21)Cc1ccccc1 2213528262 MKZBHYMPSNBZBX-UHFFFAOYSA-N 471.624 5.432 50 10 JKGE CCc1nn(C)c([C@H](Br)c2cc(Br)sc2Br)c1Cl 2224018375 LKDRLCCJYAJHGH-MRVPVSSYSA-N 477.447 5.707 50 10 JKGE CCOCc1cc(Br)c([C@@H](Br)c2c(Br)cnn2C)s1 2224797484 YHAZFHZSSCBDHD-JTQLQIEISA-N 473.028 5.027 50 10 JKGE Fc1cc(Br)c(Br)cc1[C@H](Br)[C@@H]1C[C@H]2CCCC[C@@H]21 2225615733 KWDFGCXAXFAAOQ-DRNSDYETSA-N 455.003 6.613 50 10 JKGE Cc1ccc([C@@H](Cl)c2cc(Br)c(Br)cc2F)cc1Br 2225636014 YWSZBNSWRMNHER-CQSZACIVSA-N 471.389 6.750 50 10 JKGE Fc1cc(F)c([C@H](Br)c2cc(Cl)c(Cl)s2)c(F)c1Br 2227803121 KSCCCOBFQRQDBT-SECBINFHSA-N 454.920 6.719 50 10 JKGE COc1cc(Br)c([C@H](Br)c2sc(C)cc2Br)cc1C 2229318314 SQPQZDSZBMCNRJ-ZDUSSCGKSA-N 469.036 6.383 50 10 JKGE CC1(C)CCC[C@@H]([C@@H](Br)c2c(Br)cc(Cl)c(Cl)c2Cl)C1 2232510831 IFNWSUFLTZFWNX-PRHODGIISA-N 463.468 8.062 50 10 JKGE Cc1cc(Br)c([C@H](Cl)c2ccc(Cl)c(Br)c2)c(C)c1Cl 2232530955 WTYQUHABLIUVJK-OAHLLOKOSA-N 457.420 7.463 50 10 JKGE FC(F)(F)Oc1ccc(Cl)cc1[C@H](Br)c1cc(I)sn1 2239624644 NKRZACIPEMFYSY-JTQLQIEISA-N 498.489 5.784 50 10 JKGE Cc1sc([C@H](Br)c2cccc(I)c2)c(Br)c1C 2246388774 IYSCPTAEFKRHSB-GFCCVEGCSA-N 486.010 6.216 50 10 JKGE CC(C)(CBr)N(Cc1ccccc1)C(=O)c1cc(F)c(Br)cc1Cl 2248028454 KBRCEKJEUSAKCU-UHFFFAOYSA-N 477.599 6.058 50 10 JKGE Fc1cc([C@@H](Br)c2sc(Cl)cc2Br)c(F)cc1Br 2255682413 GROYGZMRGBIBEY-SNVBAGLBSA-N 481.381 6.689 50 10 JKGE COc1ccc([C@H](Cl)c2cc(Br)sc2C)cc1I 2257355523 PPYOWZOJNJGULO-ZDUSSCGKSA-N 457.558 5.760 50 10 JKGE Cc1cc(F)c(Br)cc1[C@H](Br)c1cc(Cl)c(Br)s1 2258095654 OSXBURCNUOKJCH-NSHDSACASA-N 477.418 6.858 50 10 JKGE CC(C)C1CCC(CI)(OC2CCN(Cc3ccccc3)CC2)CC1 2259432620 IBWOBIYOOZKIBI-UHFFFAOYSA-N 455.424 5.688 50 10 JKGE FC(F)(F)c1ccc([C@@H](Br)c2sc(Br)cc2Br)s1 2263320247 AJOBRMDMNWMWJW-MRVPVSSYSA-N 484.982 6.838 50 10 JKGE COCC1([C@@H](Br)c2cc(Br)sc2Br)CC(F)(F)C1 2263687819 XCMXHSLLCNOACW-QMMMGPOBSA-N 468.983 5.771 50 10 JKGE Fc1cccc([C@H](Br)c2cc3sc(Br)cc3s2)c1Br 2278104487 YVXWBAVRQYGVSL-ZDUSSCGKSA-N 485.035 7.111 50 10 JKGE COc1cc(C)c(Br)c(C)c1[C@H](Br)c1cc(Br)oc1C 2285074358 IHTULWRBGADSLI-OAHLLOKOSA-N 466.995 6.223 50 10 JKGE C[C@@H](Br)CN(CCC(C)(C)C)C(=O)c1csc(Br)c1Br 2288054533 KVQMAHASVTWWNG-SECBINFHSA-N 490.099 5.935 50 10 JKGE CC(C)(C)c1ccc(-c2nnc(SCC(=O)NN=CC=Cc3ccccc3)n2-c2ccccc2)cc1 2293497252 ALCDWJNFNAJBEH-UHFFFAOYSA-N 495.652 6.139 50 10 JKGE CCc1nc([C@H](Cl)c2cc(Cl)cc(Br)c2OC)c(Br)s1 2295378275 NZPBRUOPKHICOX-SNVBAGLBSA-N 460.018 6.221 50 10 JKGE COc1cccc(C[C@@H]2SC(=C(C#N)C(=O)Nc3ccccc3C)N(c3ccccc3C)C2=O)c1 2296506864 IPMNLBLVAJQTIB-VWLOTQADSA-N 483.593 5.377 50 10 JKGE N#CC(=Cc1ccc(OC(=O)c2ccc(Br)cc2)cc1)C(=O)Nc1ccc(F)cc1 2297491137 APQQLOVCZHEHIR-UHFFFAOYSA-N 465.278 5.353 50 10 JKGE F[C@@H]1CCC[C@@H]([C@H](Br)c2cc(Br)ccc2OCc2ccccc2)C1 2299504618 OSCLKYSTOPDVKZ-MDYRTPRTSA-N 456.193 6.992 50 10 JKGE COc1ccsc1[C@H](Br)c1cc(Br)ccc1OCc1ccccc1 2299536057 VXXXQTVANUSQBA-GOSISDBHSA-N 468.210 6.583 50 10 JKGE COc1ccc(NC(=O)C(C#N)=Cc2cccc(OCc3ccc(Br)cc3)c2)cc1 2313738682 OFSNKDVIYPVEAL-UHFFFAOYSA-N 463.331 5.582 50 10 JKGE Brc1cc(OCc2ccccc2)ccc1[C@H](Br)[C@]12CCCC[C@@H]1CC2 2314449049 MTBCPDKGNLTXFY-WTNAPCKOSA-N 464.241 7.435 50 10 JKGE Brc1cc(OCc2ccccc2)ccc1[C@@H](Br)[C@@H]1CC12CCCCC2 2314460720 ODCLEKORDROJAW-PZJWPPBQSA-N 464.241 7.435 50 10 JKGE O=S1(=O)CCC([C@H](Br)c2ccc(OCc3ccccc3)cc2Br)CC1 2314502565 KCULXPIKVUVOCQ-IBGZPJMESA-N 488.241 5.289 50 10 JKGE Brc1cc(OCc2ccccc2)ccc1[C@H](Br)[C@@H]1C[C@@H]2CCCC[C@@H]21 2314502882 MXFLWELOCWOMFD-QTUQIOHYSA-N 464.241 7.290 50 10 JKGE COc1ccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)C=Cc4ccccc4Cl)ccc32)cc1OC 2314634603 NHDLIJDKUNNDJX-AREMUKBSSA-N 488.927 5.194 50 10 JKGE CCOC(=O)c1c(-c2ccc(Cl)cc2)csc1NC(=O)C(C#N)=Cc1ccc(OCC)cc1 2314736073 RSRYUZOYOVILMS-UHFFFAOYSA-N 480.973 6.190 50 10 JKGE Fc1c(Br)cc(Cl)c([C@H](Br)[C@@H]2CCCCO2)c1Br 2315449554 QPWISUYEVYCKRD-WCBMZHEXSA-N 465.382 6.009 50 10 JKGE Fc1c(Br)cc(Cl)c([C@H](Br)CCCC(F)F)c1Br 2315450999 KDRUOMZDSQIMQG-RXMQYKEDSA-N 473.352 6.876 50 10 JKGE CCCc1sc(Br)cc1[C@H](Cl)c1cccc(I)c1 2316172218 RHLDOPPATIHAKV-CQSZACIVSA-N 455.586 6.396 50 10 JKGE COc1cccc(F)c1[C@H](Br)c1sc(Cl)cc1I 2316598314 BMPAGDHEMWCIFH-NSHDSACASA-N 461.521 5.638 50 10 JKGE COc1ccccc1C[C@H](Br)c1sc(Cl)cc1I 2316598449 CLPPBUYBTSFGAA-VIFPVBQESA-N 457.558 5.693 50 10 JKGE Clc1cc(I)c([C@H](Br)[C@@H]2COc3ccccc32)s1 2316599492 REZIGNSIEQVSTI-PRHODGIISA-N 455.542 5.618 50 10 JKGE Cc1cc(Br)c(F)c(Br)c1[C@@H](Br)[C@@H]1C[C@@H]1C(F)F 2317424029 RQPVQIDKUGXRQT-JHEQGTHGSA-N 450.918 5.996 50 10 JKGE BrCC1(Cc2ccc(I)c(Br)c2)CCC=CCC1 2325229659 OWIJOHGCSIIKGN-UHFFFAOYSA-N 484.013 6.108 50 10 JKGE COc1cccc(C=C(C#N)c2nc(O)c3ccccc3n2)c1OCc1c(F)cccc1Cl 2331030137 XXIAPTFDHGWPJF-UHFFFAOYSA-N 461.880 5.780 50 10 JKGE CC(C)C[C@@H](C(O)=C(C#N)c1nc(-c2ccc(F)cc2F)cs1)N1C(=O)c2ccccc2C1=O 2331286530 FNBNTSFGUVYKNW-NRFANRHFSA-N 479.508 5.592 50 10 JKGE COc1ccc(C(O)=C(C#N)c2nc(-c3ccc(Oc4ccccc4)cc3)cs2)cc1OC 2331358791 PHTOUOIUMHNQOA-UHFFFAOYSA-N 456.523 6.569 50 10 JKGE COc1ccc(-c2csc(C(C#N)=C(O)[C@@H]3CC(=O)N([C@H](C)c4ccccc4)C3)n2)c(C)c1C 2331362273 QJMNXPIVZSMEEK-UYAOXDASSA-N 473.598 5.838 50 10 JKGE COc1ccc(-c2csc(C(C#N)=C(O)CNC(=O)c3ccc(Cl)cc3)n2)c2ccccc12 2331405135 VBXGEHVUCHYDNK-UHFFFAOYSA-N 475.957 5.848 50 10 JKGE COc1ccc(OC)c(C=CC(O)=C(C#N)c2nc(-c3ccc(OC)c4ccccc34)cs2)c1 2331408273 QYVRSVATFQNAOP-UHFFFAOYSA-N 470.550 6.495 50 10 JKGE COc1cccc(-c2csc(C(C#N)=Cc3ccccc3OCc3ccc(Cl)cc3)n2)c1 2331421487 UHRXQRKJKAUOFU-UHFFFAOYSA-N 458.970 7.115 50 10 JKGE CCOc1cc(C=C(C#N)c2nc(-c3ccc(F)cc3F)cs2)ccc1OCc1ccccc1C 2331437919 SWFAXWMBXBJJPZ-UHFFFAOYSA-N 488.559 7.439 50 10 JKGE COc1cc(C=C(C#N)c2nc(-c3c(C)cc(C)cc3C)cs2)ccc1OCc1ccccc1 2331477370 MESXPEDFGMNGON-UHFFFAOYSA-N 466.606 7.387 50 10 JKGE COc1ccc([C@H](Br)c2ccc(OCc3ccccc3)cc2Br)cc1F 2336083869 NXFQPPFFXGUKKK-NRFANRHFSA-N 480.171 6.660 50 10 JKGE CC1(C)C([C@H](Br)c2c(Cl)cc(Br)c(F)c2Br)C1(C)C 2337092049 KUTSQMWQGSLUGN-SNVBAGLBSA-N 477.437 7.122 50 10 JKGE CC(C)[C@@H]1CC[C@@H](Br)[C@H](Cc2ccc(Cl)c(I)c2)C1 2337272074 DOENAAYPZWNJTC-MGPQQGTHSA-N 455.605 6.323 50 10 JKGE Cc1cc(Br)c(F)c(Br)c1[C@H](Br)[C@H]1CCCC12CC2 2339650865 JYGPVBTXTCEOEL-BXKDBHETSA-N 455.003 6.675 50 10 JKGE C[C@H]1CCC[C@@](CBr)(OCc2c(Br)cccc2Br)C1 2340604752 XTWRMGONXYXPGZ-XHDPSFHLSA-N 455.028 6.072 50 10 JKGE CC1=C(C)C[C@](CBr)(Cc2cc(Cl)ccc2I)CC1 2343449996 AYVMWHLCWCDJOH-INIZCTEOSA-N 453.589 6.389 50 10 JKGE Brc1cc(Br)cc(C[C@@H](Br)[C@@H]2C[C@H]2C2CCCCC2)c1 2360163848 SBANQPHOOWWMJN-GVDBMIGSSA-N 465.067 6.734 50 10 JKGE Fc1cc(Cl)c(Br)c(Cl)c1[C@H](Br)C[C@H]1CCCC1(F)F 2360402983 VZKCFOXCOUSYSI-RNFRBKRXSA-N 454.939 7.157 50 10 JKGE CCn1cc(Br)c([C@H](Cl)c2c(F)cc(Cl)c(Br)c2Cl)n1 2360425367 BNNBYQPXZQIZNL-LLVKDONJSA-N 465.375 6.202 50 10 JKGE Cc1cccc([C@H](Br)c2c(F)cc(Cl)c(Br)c2Cl)c1Cl 2360493650 RFXHUMVQXQCXHQ-NSHDSACASA-N 461.383 7.341 50 10 JKGE Cc1nn(C)c([C@H](Cl)c2c(Cl)cc(Br)c(F)c2Br)c1Cl 2362226595 YQVGBEYJIQITJU-SNVBAGLBSA-N 465.375 6.028 50 10 JKGE CCc1nn(-c2cc(Cl)c(F)cc2CBr)c(CC)c1I 2362381547 XKAXJBNRXVBTSX-UHFFFAOYSA-N 471.539 5.289 50 10 JKGE CC[C@H](C)c1ccc([C@H](Br)c2c(Br)c(Br)nn2C)cc1 2364062879 DBHPFZWNBCMJHM-CABZTGNLSA-N 465.027 5.943 50 10 JKGE COC1([C@@H](Br)c2c(C)cc(Br)c(F)c2Br)CC(CF)C1 2365227137 BXFISUFTSQLYLA-KQZUMFKRSA-N 476.981 5.860 50 10 JKGE Clc1ccc([C@@H](Br)c2cccc3ccccc23)c(I)c1 2365594157 XVIBUGGGTUXWLG-KRWDZBQOSA-N 457.536 6.582 50 10 JKGE COc1c(Cl)cc(CO[C@]2(CBr)CCCN(C(=O)OC(C)(C)C)C2)cc1Cl 2365734243 ZRXVYUMOCVCGCM-IBGZPJMESA-N 483.230 5.683 50 10 JKGE COc1c(F)cc([C@H](Br)c2ccc(F)cc2I)cc1F 2370436786 JHTRHEULLIJANE-ZDUSSCGKSA-N 457.027 5.201 50 10 JKGE CCCCCCOc1ccc(C(=O)NNC(=O)c2ccc(Cl)cc2Cl)cc1Br 14640676 MHENDRMCVABRSN-UHFFFAOYSA-N 488.209 5.790 50 10 JKGE CC[C@H](Oc1ccc(-c2ccccc2)cc1)C(=O)NNC(=O)COc1ccccc1[C@@H](C)CC 14768317 JUDDPAVTWDZBKE-CPJSRVTESA-N 460.574 5.251 50 10 JKGE COc1cc(/C=C(\C#N)c2nc3ccc(Br)cc3c(=O)[nH]2)ccc1OCCC(C)C 25583021 GJFWYZXERJALFO-MHWRWJLKSA-N 468.351 5.183 50 10 JKGE COc1cc(/C=N/NC(=O)[C@@H](C)Sc2nc3ccccc3s2)ccc1OCc1ccccc1 27521199 SBJMJVKKLLHXNQ-CIRUFVMISA-N 477.611 5.515 50 10 JKGE CCOc1ccc(/C=C(/C#N)C(=O)Nc2ncc(Cc3ccc(Cl)c(Cl)c3)s2)cc1 33706948 KTRDQDRPOANUNB-SXGWCWSVSA-N 458.370 5.985 50 10 JKGE Cc1cc(/C=C(/C#N)C(=O)Nc2ccc(SC(F)F)cc2)c(C)n1-c1ccccc1Cl 33718546 XPYQURXYXZSJSZ-ATVHPVEESA-N 457.933 6.608 50 10 JKGE N#C/C(=C\c1ccc(-c2cccc(Cl)c2Cl)o1)C(=O)Nc1ccc(Cl)cc1Cl 34889104 NSAHCFGLAUYAON-DHZHZOJOSA-N 452.124 7.106 50 10 JKGE CCOc1ccc(-c2nn(-c3ccccc3)cc2/C=C(\C#N)c2nc(O)c3ccccc3n2)cc1 34983727 NDDAKIBOAXKFBG-CAPFRKAQSA-N 459.509 5.651 50 10 JKGE CC1(C)[C@]2(C)CC[C@@]1(C(=O)Nc1cc(C(F)(F)F)ccc1Cl)[C@H](Br)C2=O 35548629 SHYADIYCNMHYLR-JLZZUVOBSA-N 452.698 5.456 50 10 JKGE CCOc1ccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4cc([N+](=O)[O-])ccc4Cl)ccc32)cc1 38685979 IONQFMMTBRLMPW-HSZRJFAPSA-N 491.887 5.084 50 10 JKGE Cc1cc(C)c2c(C)c(C(=O)Oc3ccc4c(c3)OC(N)=C(C#N)[C@H]4c3ccc([N+](=O)[O-])cc3)oc2c1 38688248 IOYFTSAXYPWORE-VWLOTQADSA-N 495.491 5.704 50 10 JKGE Cc1ccc2c(C)c(C(=O)Oc3ccc4c(c3)OC(N)=C(C#N)[C@H]4c3cccc4ccccc34)oc2c1 38688544 FGAQZYFFLUWQKG-NDEPHWFRSA-N 486.527 6.640 50 10 JKGE CCCCOc1ccccc1[C@@H]1C(C#N)=C(N)Oc2cc(OC(=O)c3oc4ccccc4c3C)ccc21 38700787 XTFPJHCOOPTAKT-MHZLTWQESA-N 494.547 6.358 50 10 JKGE Cc1ccccc1NC(=O)/C(C#N)=C\c1c(Oc2ccc(C(C)(C)C)cc2)nc2ccccn2c1=O 39858512 VKAGMYPFTFACNK-JZJYNLBNSA-N 478.552 5.638 50 10 JKGE COc1cccc(NC(=O)c2oc3c(c2C)/C(=N/NC(=O)c2cccc4ccccc24)CCC3)c1 40813549 WPZDHCITALIAPT-JJKYIXSRSA-N 467.525 5.473 50 10 JKGE C[C@@H]1COc2ccc([C@H](Br)c3cccc(I)c3)cc2OC1 70511248 PTLDCYXZPITBFQ-PIGZYNQJSA-N 459.121 5.183 50 10 JKGE CCCCCCOc1ccc(/C=C\C(=O)Oc2cccc(/C=C(/C#N)C(=O)OC)c2)cc1OC 98028236 JAGIHWPCOLXJGO-UUNDFUHKSA-N 463.530 5.353 50 10 JKGE CCOc1ccc(N2C(=O)[C@@H](Cc3ccc(C)cc3)S/C2=C(/C#N)C(=O)Nc2ccccc2C)cc1 101245166 BHLTZWXVOZWTBT-SCHJHDHGSA-N 497.620 5.767 50 10 JKGE Clc1cc(Br)ccc1[C@@H](Cl)c1cc(Br)sc1Br 104024786 BWKFPZHYAVUURI-SNVBAGLBSA-N 479.846 7.017 50 10 JKGE O=C(CSc1nnc(-c2ccccc2F)n1-c1ccccc1)NNc1ccccc1C(F)(F)F 104715027 XBNNGCYJWFHBRD-UHFFFAOYSA-N 487.482 5.328 50 10 JKGE COc1c(C)cc(Br)c(C)c1[C@H](Br)c1cccc(Br)c1C 125770070 ATLDEXINGFZVTG-MRXNPFEDSA-N 477.034 6.630 50 10 JKGE C[C@@]12CC3CC([C@H](Br)c4cc(Cl)c(Br)s4)(C1)C[C@](C)(C3)C2 128148470 QCVGBCHMXLECMB-PYARWRRDSA-N 452.683 7.597 50 10 JKGE N#CC(C#N)=C(C#N)N(c1ccccc1)c1cc(-c2ccccc2)n(-c2ccccc2)c1-c1ccccc1 169492210 HURYKHJDRHNLME-UHFFFAOYSA-N 487.566 7.774 50 10 JKGE CC(C)(C)c1ccc(/C=C\C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@@H]3c2ccc([N+](=O)[O-])cc2)cc1 205645896 ARCPNXILYPJZNN-ZFJVXLQESA-N 495.535 5.729 50 10 JKGE C[C@H]1CCC[C@H](C)N1C(=O)COc1ccc(C(=O)NN=Cc2ccc(-c3ccccc3)cc2)cc1 254305136 BCNCFLSSDVWFDV-VXKWHMMOSA-N 469.585 5.286 50 10 JKGE O=C(CNc1ccc2ccccc2c1)NN=C1C(=O)N(Cc2cccc3ccccc23)c2ccccc21 254381028 RTHWRARSYOWYEG-UHFFFAOYSA-N 484.559 5.472 50 10 JKGE Cc1nn(-c2ccccc2)c(C)c1C=NNC(=O)[C@@]1(C)CC[C@@H](c2nc3ccccc3[nH]2)C1(C)C 254555636 CBYGKVKPYJMJIG-RBISFHTESA-N 468.605 5.426 50 10 JKGE COc1cc(C=NNC(=O)Nc2ccccc2)ccc1OCCOc1cc(C)ccc1C(C)C 254765140 INEQGVPSHVUDMK-UHFFFAOYSA-N 461.562 5.740 50 10 JKGE CCOc1ccc(C(=O)Oc2ccc(C=NNC(=O)Cc3cccc4ccccc34)cc2)cc1 254875067 OPTDMVATFKQKDO-UHFFFAOYSA-N 452.510 5.151 50 10 JKGE Clc1cc(Oc2cc(Br)ccc2CBr)ccc1Br 313503475 CVONTKGLBYEVDB-UHFFFAOYSA-N 455.371 6.552 50 10 JKGE Cc1oc(Br)cc1[C@H](Br)c1scc(C(F)(F)F)c1Br 396621274 XJFRURIISQNOQK-QMMMGPOBSA-N 482.941 6.678 50 10 JKGE CC(C)(C)[Si](C)(C)OCCN1CCO[C@@H](c2ccccc2CO[Si](C)(C)C(C)(C)C)C1 616644534 FCAWUXUQPAWTEX-HSZRJFAPSA-N 465.827 6.604 50 10 JKGE CC(C)(C)OC(=O)Nc1ccccc1[C@@H]1CN(CCO[Si](C)(C)C(C)(C)C)c2ccccc2N1 616693428 QRSUNTAIMSDMFV-QHCPKHFHSA-N 483.729 7.029 50 10 JKGE Clc1sccc1CC(CBr)(CBr)c1cccc(Br)c1 687949010 HKPBHMQVVWWZNC-UHFFFAOYSA-N 487.482 6.434 50 10 JKGE C[C@@H](CBr)[C@H]1CCCCN1C(=O)c1cc(Br)sc1Br 696787055 JWJFFCCPXHFZOB-WCBMZHEXSA-N 474.056 5.299 50 10 JKGE CC(CCc1ccccc1)=NNC(=O)c1ccc(N(Cc2ccccc2Cl)S(C)(=O)=O)cc1 1084130506 GVBAGROKTWSEPQ-UHFFFAOYSA-N 484.021 5.045 50 10 JKGE O=C(NN=Cc1cc(Br)ccc1OCc1cccc(F)c1)c1cccc(C(F)(F)F)c1 1084178098 MHQGWVGFDLHRNK-UHFFFAOYSA-N 495.270 5.950 50 10 JKGE Cc1c(C=NNC(=O)c2ccccc2Br)c2ccccc2n1Cc1cccc2ccccc12 1084197436 QOXOUZKGKUZPIT-UHFFFAOYSA-N 496.408 6.678 50 10 JKGE N#CC1=C(N)Oc2c(c(-c3ccccc3)nn2-c2cccc3ccccc23)[C@@H]1c1ccc(Cl)cc1 1865683030 DNLULOMDQOWRCJ-RUZDIDTESA-N 474.951 6.564 50 10 JKGE N#CSc1ccc(Nc2cc(N3CCO[C@@H](c4ccccc4)C3)nc(-c3cccnc3)n2)cc1 1868564506 BYVBSQZTMNQSCA-HSZRJFAPSA-N 466.570 5.433 50 10 JKGE COc1cccc(-c2csc(/C(C#N)=C(\O)CNC(=O)c3ccc(Cl)cc3Cl)n2)c1 1872744520 WKVYLAVLMARIKT-MNDPQUGUSA-N 460.342 5.348 50 10 JKGE N#C/C(=C(/O)[C@H]1CC(=O)N(Cc2ccccc2)C1)c1nc(-c2ccc(Cl)cc2Cl)cs1 1872744726 FZJDISHPCNMJNN-YUCJCZDXSA-N 470.381 5.958 50 10 JKGE CCCOc1ccc(C/C(O)=C(\C#N)c2nc(-c3cccc(Br)c3)cs2)cc1 1872746033 OISBVPSQRRMJEY-VZCXRCSSSA-N 455.377 6.397 50 10 JKGE CSCC[C@@H](/C(O)=C(\C#N)c1nc(-c2ccc(C)cc2C)cs1)N1C(=O)c2ccccc2C1=O 1872748711 KASMKYCRWZSWSM-MBDQKHHZSA-N 489.622 5.638 50 10 JKGE CC(C)C[C@H](/C(O)=C(\C#N)c1nc(-c2ccc(F)cc2)cs1)N1C(=O)c2ccccc2C1=O 1872751767 FJFSZYKSKGCMJT-DQVIVYRFSA-N 461.518 5.453 50 10 JKGE COc1ccc(-c2csc(/C(C#N)=C(O)/C=C/c3ccc(OCc4ccccc4)cc3)n2)c(OC)c1 1872755270 GIJQLPSADWJYTO-BUHYLIGMSA-N 496.588 6.912 50 10 JKGE CCOc1ccc(-c2csc(/C(C#N)=C(O)/C=C/c3ccccc3Cl)n2)c(OCC)c1 1872755476 PRLIKRLJVTXIEK-JXZXPDQRSA-N 452.963 6.767 50 10 JKGE CCCCCCCOc1ccc(-c2csc(/C(C#N)=C/c3ccc(Cl)c(Cl)c3)n2)cc1 1872791645 PHZWTOIGQPGCDA-XSFVSMFZSA-N 471.453 8.530 50 10 JKGE COc1cc(Br)cc(/C=C(\C#N)c2nc(-c3cc(C)cc(C)c3OC)cs2)c1O 1872792508 CNISMNQFOJBERW-VIZOYTHASA-N 471.376 5.976 50 10 JKGE COc1cc(OC)c(-c2csc(/C(C#N)=C/c3cc(OC)c(OC)cc3OC)n2)cc1Cl 1872793661 MCKJVEHGPFVQAV-MKMNVTDBSA-N 472.950 5.571 50 10 JKGE Cc1ccc(C(C)(C)C)cc1-c1csc(/C(C#N)=C/c2ccc(OC(=O)c3ccccc3)cc2)n1 1872793943 BOCAGUFAJWCHOY-XQNSMLJCSA-N 478.617 7.699 50 10 JKGE Cl[C@H](c1c(Br)sc(Br)c1Br)[C@@H]1C[C@@H]2CC[C@H]1O2 1906735431 YMAVQCGEGDNFNE-VODXULPGSA-N 465.432 5.883 50 10 JKGE Cc1ccc(Br)cc1C(=O)N(Cc1ccccc1)[C@@H](CBr)C1CC1 1915276924 WIRAVZGEKHBAAX-IBGZPJMESA-N 451.202 5.573 50 10 JKGE Clc1c(Br)sc(Br)c1[C@H](Cl)Cc1ccccc1Br 1923055698 XPPLBDBVIPVJQN-MRVPVSSYSA-N 493.873 7.212 50 10 JKGE FC1(F)CCCC[C@H]1[C@@H](Br)c1c(Br)sc(Br)c1Cl 1923055720 XYYCPXPQYYGKIZ-CAHLUQPWSA-N 487.429 7.188 50 10 JKGE Fc1ccc([C@H](Br)c2c(Br)sc(Br)c2Cl)c(F)c1F 1923068092 MVGSFYBWVONFFZ-LURJTMIESA-N 499.371 6.828 50 10 JKGE Brc1sc(Br)c([C@@H](Br)C[C@H]2CCCO2)c1Br 1924580010 NBEDXHIHGXPOBZ-RITPCOANSA-N 497.872 6.041 50 10 JKGE CC1(NC(=O)c2scc(Br)c2Br)CCC(Br)CC1 1924694821 RBNHJTAJTWOIKE-UHFFFAOYSA-N 460.029 5.099 50 10 JKGE Cc1sc(Br)cc1[C@H](Br)c1c(Cl)sc(Cl)c1Cl 1925546988 SALDZWBNZCLOMR-ZETCQYMHSA-N 455.451 7.325 50 10 JKGE CC(C)(C)c1ccccc1[C@H](Br)c1c(Cl)sc(Br)c1Cl 1925600549 RWAOGOUGMGKFRO-NSHDSACASA-N 457.058 7.599 50 10 JKGE Clc1sc([C@H](Cl)c2csc(Br)c2Br)cc1Br 1937734902 RTIPBACGCNSECO-SSDOTTSWSA-N 485.875 7.079 50 10 JKGE CN(Cc1ccccc1)C1CN(c2c(CBr)ccc(Br)c2Cl)C1 1939330434 WMAQSFMIBZDHER-UHFFFAOYSA-N 458.625 5.318 50 10 JKGE CC(C)(C)OC(=O)N1C[C@H](Br)[C@H](OCc2cc(Cl)ccc2Br)C1 1993166060 ODEJMHWAEHXAQH-UONOGXRCSA-N 469.601 5.002 50 10 JKGE Cc1nn(C)c([C@@H](Br)c2sc(Cl)cc2Br)c1Br 2017378156 YWJPMSOWSHKOTQ-MRVPVSSYSA-N 463.420 5.453 50 10 JKGE Cc1cc(Cl)c(Br)cc1[C@@H](Cl)c1csc(I)c1 2023706081 TVSSNUNNHJFZEG-LBPRGKRZSA-N 461.977 6.405 50 10 JKGE CC1(C)CN(c2c(CBr)ccc(Br)c2Cl)CCN1Cc1ccccc1 2036847124 HBMKFADHDPMFQZ-UHFFFAOYSA-N 486.679 6.098 50 10 JKGE Brc1csc([C@H](Br)c2cc(Br)cc3c2OCC3)c1 2052438449 VOEQTAIOUKINQB-GFCCVEGCSA-N 452.993 5.692 50 10 JKGE Cc1cc(Br)c(C)c([C@H](Cl)c2ccsc2Br)c1Br 2081074134 PGAFNURYSZISGB-GFCCVEGCSA-N 473.455 6.981 50 10 JKGE C[C@H](Cl)c1nc2cc(I)ccc2n1C1CC(COCc2ccccc2)C1 2092628568 ZAEPRGKBKYFBGS-NXVRBGIVSA-N 480.777 6.109 50 10 JKGE CC(C)(CCCBr)CNC(=O)c1c(Br)cccc1Br 2094089344 VWDBJWABQFDYKJ-UHFFFAOYSA-N 456.016 5.143 50 10 JKGE Cn1nc(C[C@H](CBr)c2ccccc2Br)c(Br)c1Cl 2096680449 CSVSKQNRSMCBDZ-MRVPVSSYSA-N 471.418 5.320 50 10 JKGE ClCc1nc2cc(Br)c(Cl)cc2n1C[C@@H]1CCCN1Cc1ccccc1 2103625490 XNUFWKCCURTKRA-HNNXBMFYSA-N 453.211 5.856 50 10 JKGE Clc1c(Br)sc(Br)c1[C@@H](Br)[C@@H]1CC2(CCCC2)CO1 2109979556 KRFCDDZYKKQGIU-CBAPKCEASA-N 493.486 6.712 50 10 JKGE CC12CC([C@H](Br)c3cc(Br)ccc3Br)(C1)C(C)(C)O2 2121882654 DFMSCJATARURHG-LRVUVFPRSA-N 453.012 5.995 50 10 JKGE O=C(NCC[C@@H]1CCCC[C@@H]1Br)c1csc(Br)c1Br 2123028096 FAYFCHXRNFNDIF-WPRPVWTQSA-N 474.056 5.347 50 10 JKGE F[C@@H]1[C@@H](Br)C[C@H]2CC[C@H]1N2Cc1c(Br)cccc1Br 2134122142 JMEQJTANSGFRSG-DSMZTOPNSA-N 455.991 5.050 50 10 JKGE CCC1([C@H](Br)c2c(C)c(Br)cc(C)c2Br)CCCC1 2136379956 PRQPIZCGWSAKBS-OAHLLOKOSA-N 453.056 7.235 50 10 JKGE Cc1c(Br)ccc([C@H](Br)[C@H]2CCCC(C)(C)C2)c1Br 2138869575 BBWUTFFWNKYDGZ-XHDPSFHLSA-N 453.056 7.172 50 10 JKGE Clc1cc(CN2CCC(CCCBr)CC2)ccc1I 2142944106 QYRZPAVPCWXIBB-UHFFFAOYSA-N 456.593 5.332 50 10 JKGE C[C@H](Cl)c1nc2cc(Br)cnc2n1[C@H]1CCOC[C@H]1OCc1ccccc1 2146522737 NFIUCKGBVNVSJZ-DOPJRALCSA-N 450.764 5.040 50 10 JKGE Clc1ccc([C@@H](Br)c2cc(Br)c3c(c2)CCO3)cc1Br 2146630432 XDFPZFYPIAKDIK-CQSZACIVSA-N 481.409 6.284 50 10 JKGE CC1(C)C[C@H](n2c(CCl)nc3cc(Br)c(Cl)cc32)[C@@H]1OCc1ccccc1 2159872857 AEWXQTSCZGQEOQ-ICSRJNTNSA-N 468.222 6.747 50 10 JKGE BrCc1cc(Br)cc(Br)c1OC[C@@H]1CC12CCCCC2 2165702851 VOVFABOKVQUCPO-LBPRGKRZSA-N 467.039 6.456 50 10 JKGE O=C(c1cc(Br)c(Br)s1)N1C[C@H](Br)C2(CCCCC2)C1 2174366333 XAGWMHCHIUWODX-NSHDSACASA-N 486.067 5.443 50 10 JKGE CCc1nn(C)c([C@H](Br)c2cc(F)c(Br)cc2F)c1Br 2192385791 XPXXEYNUWAEFNJ-LLVKDONJSA-N 472.953 5.270 50 10 JKGE Cc1cccc([C@H](Br)c2c(C)c(Br)cc(C)c2Br)c1Cl 2201069263 JWEVYNJWQNAGRC-HNNXBMFYSA-N 481.453 7.275 50 10 JKGE Cc1cc(Br)c(C)c([C@H](Br)C23CC(C)(C2)O[C@@H]3C)c1Br 2201071368 IDGHADKUHONXDJ-FQPAUYLKSA-N 467.039 6.222 50 10 JKGE COC1CC(CC[C@H](Br)c2c(C)c(Br)cc(C)c2Br)C1 2201080243 XKBDZBVXGHWKNK-BPCQOVAHSA-N 469.055 6.470 50 10 JKGE ClC[C@@H](Cc1ccc(Br)cc1)Cc1ccc(I)c(Cl)c1 2208047374 ZZHQWIFDDSHGMN-ZDUSSCGKSA-N 484.002 6.347 50 10 JKGE Cc1c(Br)csc1[C@H](Cl)c1cc(Br)c(Br)s1 2210635288 HMHUMFJIRAMFSE-MRVPVSSYSA-N 465.457 6.734 50 10 JKGE Cl[C@@H]1CCCC[C@@H](c2sc(Br)c(Br)c2Br)C1 2212190427 XKXYWGXZUDXXSE-RNFRBKRXSA-N 451.449 6.691 50 10 JKGE Cc1cc(Br)c([C@H](Br)C2(Br)CCC2)c(C)c1Br 2214650736 DYEUWLNFJZDCNI-LBPRGKRZSA-N 489.871 6.582 50 10 JKGE COCc1cc(Br)c([C@@H](Br)c2cc(Br)c(C)s2)s1 2218971636 NNKFANVFTFVMPO-NSHDSACASA-N 475.065 6.274 50 10 JKGE CCN[C@@H](c1c(Br)cc(Cl)c(Cl)c1Cl)C1CC(Br)C1 2224322729 PUTBOOPSRULJND-HKSSTPRTSA-N 450.429 6.233 50 10 JKGE COc1cc(F)ccc1[C@H](Br)c1cc(Br)ccc1Br 2225627820 BKFPASSLPUKJKW-AWEZNQCLSA-N 452.943 5.844 50 10 JKGE C[C@H](CCn1c(CCl)nc2cc(Br)c(Br)cc21)N(C)Cc1ccccc1 2225700225 DPPHXUXKXOQIOI-CQSZACIVSA-N 499.678 6.211 50 10 JKGE O[C@](CCCl)(c1ccccc1)c1sc(Br)c(Br)c1Br 2230231345 TVYNSOLTUJQVAL-CYBMUJFWSA-N 489.454 5.900 50 10 JKGE COc1cc(Br)c([C@@H](Br)c2c(C)cccc2Br)cc1C 2236015011 YOSRHQIVQGZWBK-MRXNPFEDSA-N 463.007 6.321 50 10 JKGE Fc1cc(Br)cc([C@H](Br)c2c(F)cc(F)c(Br)c2F)c1 2236110017 OIHUAJWRPRDWKZ-NSHDSACASA-N 476.887 6.252 50 10 JKGE COC[C@]1(C)C[C@H]1[C@H](Br)c1c(Br)sc(Br)c1Cl 2248741528 YPARAGQOBQWQKH-UMCCAMMJSA-N 467.448 6.035 50 10 JKGE Fc1cc([C@@H](Cl)c2sc(Br)cc2Br)c(F)cc1Br 2255681143 PUNLYXTXVBKPEP-SNVBAGLBSA-N 481.381 6.642 50 10 JKGE Cc1c(Br)sc([C@@H](Br)C2CC3(CC(F)C3)C2)c1Br 2259485519 PQRXWFVASLARJA-FVDDLZBTSA-N 461.032 6.546 50 10 JKGE Cl[C@@H](C[C@@H]1CCCCC12CC2)c1c(Br)sc(Br)c1Br 2264947858 NUIGZSPIPYLDJT-IUCAKERBSA-N 491.514 7.676 50 10 JKGE Brc1ccc([C@@H](Br)C[C@H]2CCCCC23CC3)c(Br)c1 2264948630 QQZCKHVSHDUAQD-RISCZKNCSA-N 451.040 7.008 50 10 JKGE COc1ccc([C@@H](Br)c2scc(Br)c2Br)c(C)c1C 2269119268 QKURQDBLQAYKJE-GFCCVEGCSA-N 469.036 6.383 50 10 JKGE Cc1cc(F)c(Br)cc1[C@@H](Br)c1c(C)sc(Br)c1C 2270454684 YSSXHBVPGBUZNB-CYBMUJFWSA-N 471.027 6.822 50 10 JKGE Fc1cc(Br)c(F)c(Br)c1[C@H](Br)C(C1CC1)C1CC1 2272725907 HBVTWMYHAQMJLN-GFCCVEGCSA-N 458.966 6.362 50 10 JKGE C[C@]1(C(F)F)C[C@@H]1[C@@H](Br)c1c(F)cc(Br)c(F)c1Br 2272739979 OQBKLSZTZVNDAU-ATHITMAHSA-N 468.908 6.217 50 10 JKGE CC(C)(C)[C@@H]1C[C@@H]1[C@H](Br)c1c(F)cc(Br)c(F)c1Br 2272740470 RAGIUYOQXTVEOU-CVJICSNFSA-N 460.982 6.608 50 10 JKGE CO[C@@H]1CCC[C@@H]([C@H](Br)c2c(F)cc(Br)c(F)c2Br)C1 2288355307 FFLCQAXCYAGJPD-RWYTXXIDSA-N 476.981 6.131 50 10 JKGE Fc1cc(Br)c(F)c(Br)c1[C@@H](Cl)c1c(Cl)cccc1Cl 2288355613 PIONXIWSCYXGMB-LBPRGKRZSA-N 465.346 7.125 50 10 JKGE COc1cc(C=C(C#N)C(=O)Nc2ncc(Cc3ccccc3)s2)ccc1OCc1ccccc1 2293038829 QPABRHHDWDOINI-UHFFFAOYSA-N 481.577 5.867 50 10 JKGE N#CC(=Cc1ccc(Oc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])cc1)C(=O)Nc1ccc(Cl)cc1 2294193322 DZMLLTPUEMLQJT-UHFFFAOYSA-N 464.821 5.494 50 10 JKGE COc1cc(NC=C(C#N)c2nc(-c3ccc(Br)cc3)cs2)c(C(C)=O)cc1OC 2295945694 TXUDNQKMQWPMLB-UHFFFAOYSA-N 484.375 5.769 50 10 JKGE COc1cc(C=C(C#N)c2nc(-c3cccc(Br)c3)cs2)ccc1OC(C)=O 2296802173 WJTCSUGQQWCPBV-UHFFFAOYSA-N 455.333 5.571 50 10 JKGE N#CC(=Cc1ccc(OCc2ccc(F)cc2)c(Br)c1)C(=O)Nc1cccc([N+](=O)[O-])c1 2297533981 VAERJMLVQLBDNT-UHFFFAOYSA-N 496.292 5.621 50 10 JKGE Fc1ccc([C@@H](Br)c2cc(Br)ccc2OCc2ccccc2)cc1 2299496259 TVTXBPKEMQYREV-HXUWFJFHSA-N 450.145 6.652 50 10 JKGE COc1cc(C=C(C#N)C(=O)Nc2ccccc2Cl)ccc1OCc1ccc(Br)cc1 2313630677 DNBMESNHAHAPPL-UHFFFAOYSA-N 497.776 6.236 50 10 JKGE Cc1ccc(COc2ccc(Br)cc2C=C(C#N)C(=O)Nc2ccccc2F)cc1 2313631694 UMZHLHKVOLRMFJ-UHFFFAOYSA-N 465.322 6.021 50 10 JKGE CCOc1cc(C=C(C#N)C(=O)Nc2ccccc2C)ccc1OCc1ccc(Cl)c(Cl)c1 2313667751 UZYLWAXBRSVTII-UHFFFAOYSA-N 481.379 6.825 50 10 JKGE Brc1ccc(OCc2ccccc2)c([C@@H](Br)[C@H]2C[C@@H]3CC[C@H](C2)O3)c1 2314439445 HRCODKDMSXIQGB-JWVYWZTKSA-N 466.213 6.422 50 10 JKGE Fc1cc(Br)c([C@H](Br)c2cnsc2Br)c(F)c1F 2315617105 NEBKVZIZEHKJHH-SSDOTTSWSA-N 465.914 5.570 50 10 JKGE CC12CC(C1)[C@@H]([C@H](Br)c1cc(Br)ccc1OCc1ccccc1)CO2 2315917301 FLHLOWYVDQWICE-HZELDEKMSA-N 466.213 6.279 50 10 JKGE COc1cc([C@H](Cl)c2sc(Br)c(C)c2Br)sc1Cl 2317958226 WMWKSBGGYQQCEV-QMMMGPOBSA-N 451.032 6.633 50 10 JKGE CSc1ccc(Cl)cc1CC(=O)NN=Cc1ccc(OCc2ccccc2)c(Cl)c1 2318418138 QRTPILRHKPHHJD-UHFFFAOYSA-N 459.398 5.987 50 10 JKGE CCCCCOc1ccc(C=C(C#N)c2nc(-c3ccc(Cl)cc3)cs2)cc1OCC 2323839289 ALECIMUZYCOTEA-UHFFFAOYSA-N 453.007 7.495 50 10 JKGE Brc1cc(CO[C@@H]2CCCCC[C@@H]2Br)ccc1I 2325377536 YABVPIRZDAMHMG-SMDDNHRTSA-N 488.001 5.667 50 10 JKGE COc1cc2nc(C(C#N)=Cc3ccc(OC)c(OCc4ccccc4)c3)nc(O)c2cc1OC 2331042465 BWIXUONTTHMFJM-UHFFFAOYSA-N 469.497 5.004 50 10 JKGE N#CC(=C(O)c1ccc2c(c1)C(=O)N(Cc1ccco1)C2=O)c1nc(-c2c[nH]c3ccccc23)cs1 2331348912 AWSFSKZTTJBJFZ-UHFFFAOYSA-N 492.516 5.630 50 10 JKGE CCOc1ccc(OCC)c(-c2csc(C(C#N)=C(O)[C@H]3CC(=O)N(C(C)(C)C)C3)n2)c1 2331376616 YYECYGSFDOOLNW-HNNXBMFYSA-N 455.580 5.047 50 10 JKGE CCCCOc1ccc(C=C(C#N)c2nc(-c3cc(OC)c(Cl)cc3OC)cs2)cc1OCC 2331471062 JSVKHGIKEATSLY-UHFFFAOYSA-N 499.032 7.122 50 10 JKGE Cc1ccc(Oc2ccc(Br)cc2Br)c(CBr)c1Cl 2335414091 XLKACZGOFXVODU-UHFFFAOYSA-N 469.398 6.861 50 10 JKGE Cc1cc([C@@H](Cl)c2ccc(OCc3ccccc3)cc2Br)cc(C)c1Br 2336042589 AQAAYFXSHXBLPU-JOCHJYFZSA-N 494.654 7.736 50 10 JKGE Fc1c(Br)cc(Cl)c([C@H](Br)C2CC(C(F)F)C2)c1Br 2337088898 RQDWMBMUQWVBEU-PACJAATDSA-N 485.363 6.731 50 10 JKGE Cc1cc(Br)c(F)c(Br)c1[C@@H](Br)c1ccc(Cl)cc1 2339675033 PIKLYJBNEVWYTI-LBPRGKRZSA-N 471.389 6.797 50 10 JKGE Cc1cc(Br)c([C@@H](Br)C[C@H]2CCC[C@@H]3C[C@H]23)c(C)c1Br 2358674468 YTRXINZENVTWBR-CXTNEJHOSA-N 465.067 7.091 50 10 JKGE Fc1cc(Cl)c(Br)c(Cl)c1[C@@H](Br)C1CCC(F)(F)CC1 2360422367 HUVVKHCSGQDLKC-JTQLQIEISA-N 454.939 7.157 50 10 JKGE Cc1ccc([C@H](Br)c2c(C)cc(Br)c(F)c2Br)cc1C 2365215084 GYKKYSWQTFEGRT-AWEZNQCLSA-N 464.998 6.760 50 10 JKGE Cc1ccccc1C[C@H](CBr)Cc1ccc(Cl)cc1I 2366711882 KJGSUEGDXHJESC-ZDUSSCGKSA-N 463.584 6.049 50 10 JKGE Cc1scc(CN(C)c2cc(Br)cc(F)c2CBr)c1Br 2369746295 RIVRRPXHVQXENY-UHFFFAOYSA-N 486.042 6.252 50 10 JKGE COc1cc(/C=C(\C#N)c2ccc(C#N)cc2)cc(Br)c1OCc1ccc([N+](=O)[O-])cc1 2870371 SZCMKUYEZDJDNM-KEBDBYFISA-N 490.313 5.881 50 10 JKGE CCc1ccc([C@H]2C(C#N)=C(N)N(c3ccc(Cl)cc3[N+](=O)[O-])C3=C2C(=O)CCC3)s1 6284248 JVTKVURRFZIDGH-HXUWFJFHSA-N 454.939 5.177 50 10 JKGE C/C(=N/NC(=O)COc1c(C)cc(Br)cc1Br)c1ccc2ccccc2c1 12483409 ZIKDUPAIHKCAMO-OYKKKHCWSA-N 490.195 5.592 50 10 JKGE O=C(NNC(=S)NC(=O)c1sc2ccccc2c1Cl)c1ccccc1OCc1ccccc1 14030850 UVGWNJDYAHHGDT-UHFFFAOYSA-N 496.013 5.083 50 10 JKGE O=C(CCCSc1nc2ccccc2s1)NN=C(Cc1ccccc1)Cc1ccccc1 20826745 FESHLOCLNVHYBB-UHFFFAOYSA-N 459.640 6.126 50 10 JKGE CCCSc1ccc(-c2nn(-c3ccccc3)cc2/C=C(\C#N)C(=O)NC2CCCCC2)cc1 35445870 KKBKJKBAUPTSII-RELWKKBWSA-N 470.642 6.397 50 10 JKGE CCCOc1cccc(-c2nn(-c3ccccc3)cc2/C=C(\C#N)C(=O)Nc2ccc(OCC)cc2)c1 35446610 COOKCSYSXQWMBI-PTGBLXJZSA-N 492.579 6.272 50 10 JKGE CCCOc1cccc(-c2nn(-c3ccccc3)cc2/C=C2/C(=O)N(CC(C)C)C(=O)C(C#N)=C2C)c1 38605589 XPIMPUCLMQRXKM-WGOQTCKBSA-N 494.595 5.576 50 10 JKGE CCCOc1ccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4ccccc4OCC)ccc32)cc1 38650722 SLTZGDAFPJDDGD-SANMLTNESA-N 470.525 5.311 50 10 JKGE CCCOc1ccccc1C(=O)Oc1ccc2c(c1)OC(N)=C(C#N)[C@H]2c1ccc(SC)cc1 38682585 BADNMXNJNCPNNI-VWLOTQADSA-N 472.566 5.635 50 10 JKGE CSc1ccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)COc4cccc(Cl)c4)ccc32)cc1 38682622 VEMJZVKEEIRHIJ-XMMPIXPASA-N 478.957 5.264 50 10 JKGE Cc1ccc2c(C)c(C(=O)Oc3ccc4c(c3)OC(N)=C(C#N)[C@H]4c3ccc(C(C)C)cc3)oc2c1C 38687102 GOVJDCPKAKEBLF-MHZLTWQESA-N 492.575 6.919 50 10 JKGE CCCCC1CCC(C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@@H]3c2cccc(OCCC)c2)CC1 38701033 YRIPTTKKBMZSLP-JQPIXXOSSA-N 488.628 6.596 50 10 JKGE Cc1c(C(=O)N2c3ccccc3C[C@@H]2C)oc2c1/C(=N/NC(=O)c1ccccc1Cl)CCC2 40812622 FWKSQACGRGJLPB-GQIVLKDASA-N 461.949 5.303 50 10 JKGE COc1ccc(/C=N/NC(=O)CCCOc2ccc(C(C)(C)C)cc2Br)c(OC)c1 40951419 CEGGILMQKHJDFP-MFKUBSTISA-N 477.399 5.073 50 10 JKGE C/C(=N/NC(=O)c1ccc(CSc2nc3ccccc3o2)cc1)c1ccc(Br)s1 89262697 UBKKOIKBKCNONI-CFRMEGHHSA-N 486.416 6.098 50 10 JKGE CCOc1cc(/C=C(/C#N)C(=O)Nc2nccs2)ccc1OC(=O)c1ccc(Cl)cc1Cl 96504424 XQQXAGBMBFUJDG-ZROIWOOFSA-N 488.352 5.613 50 10 JKGE COc1ccc(CN(C(=O)CCl)[C@H](C(=O)NC2CCCCCC2)c2ccc(C)cc2)cc1 97914909 KVZHGSLAWPGVSS-VWLOTQADSA-N 457.014 5.151 50 10 JKGE CC[C@@H](C)N1C(=O)C(C#N)=C(C)/C(=C\c2cn(-c3ccccc3)nc2-c2ccc3c(c2)C[C@H](C)O3)C1=O 101334233 SUGPQLCFTFYWJZ-LCQLLCJESA-N 492.579 5.253 50 10 JKGE CCc1ccc(N/C(SCc2ccc(Cl)cc2)=C(\C#N)C(=O)NCc2ccco2)cc1 105422964 HLEUFUZLHBZQRN-GYHWCHFESA-N 451.979 5.892 50 10 JKGE COc1ccc([C@@H](Br)c2ccc(F)c(Br)c2)cc1Br 126603057 SQEOWBNJMUPQBR-AWEZNQCLSA-N 452.943 5.844 50 10 JKGE Cc1cc(Br)c([C@H](Br)C2(c3ccccc3)CC2)cc1Br 128822358 AAYCREPAFBYJHU-INIZCTEOSA-N 459.019 6.688 50 10 JKGE O=S(=O)(c1c(Cl)cc(Br)cc1Cl)N1CCCCC[C@@H]1CBr 157718820 QLLIHKUYPFGNLV-SNVBAGLBSA-N 480.049 5.084 50 10 JKGE Cc1nn(C)c(Cl)c1CC(CBr)(CBr)c1ccc(Br)cc1 167850685 OPQIXXSOUUSWFC-UHFFFAOYSA-N 499.472 5.415 50 10 JKGE C=CCN1C(=O)C(C#N)=C(C)/C(=C/c2cn(-c3ccccc3)nc2-c2ccc(OCC)cc2C)C1=O 214352227 GDJGUFJWOKJZLV-XYGWBWBKSA-N 478.552 5.025 50 10 JKGE N#C/C(=C/NCc1ccccc1Br)C(=O)Nc1ccc(Cl)c(C(F)(F)F)c1 217250713 LRQHPDJNRIRUOW-BENRWUELSA-N 458.665 5.257 50 10 JKGE Cc1cc([C@H](Br)c2ccc(F)cc2I)c(C)cc1Br 235864674 LNHXUEPKZSNBDP-OAHLLOKOSA-N 497.971 6.294 50 10 JKGE Clc1ccc(C[C@H](Cl)c2cc(I)ccc2Br)cc1Cl 236018687 WLUHOQRTEOKXBE-ZDUSSCGKSA-N 490.393 6.883 50 10 JKGE Fc1cccc(F)c1C[C@H](Cl)c1cc(I)ccc1Br 236191102 NSROYWCAZBLBGY-LBPRGKRZSA-N 457.483 5.855 50 10 JKGE Cc1ccc(-n2c(C)cc(C=NNC(=O)CNc3ccc(Br)cc3)c2C)c(C)c1 254382093 VWNDPJYYYZHZEM-UHFFFAOYSA-N 453.384 5.036 50 10 JKGE Cc1ccc(COc2ccc(C=NNC(=O)COc3ccc(OCc4ccccc4)cc3)cc2)cc1 254758523 CEAWPMWRBVWNQU-UHFFFAOYSA-N 480.564 5.682 50 10 JKGE O=C(CSc1nncn1-c1ccccc1)N(N=Cc1ccccc1)c1cccc(C(F)(F)F)c1 254851676 RFTINDDVLPXMAG-UHFFFAOYSA-N 481.503 5.446 50 10 JKGE ClCc1cc(Br)cc(Br)c1OCc1ccccc1Br 311630638 OQWDYRRUUNYCQS-UHFFFAOYSA-N 469.398 6.292 50 10 JKGE C[C@H]1C[C@H](n2c(CCl)nc3cc(F)c(Br)cc32)CCN1Cc1ccccc1 379605926 JFSYYPQGLFAUAP-GOEBONIOSA-N 450.783 5.902 50 10 JKGE Fc1ccc(Br)cc1[C@@H](Br)c1cc(Cl)c(Cl)c(Cl)c1Cl 404649899 JDXASNYNSQXVMB-SNVBAGLBSA-N 481.801 7.686 50 10 JKGE CC(C)(C)OC(=O)NCCN1CCO[C@H](c2cccc(CO[Si](C)(C)C(C)(C)C)c2)CC1 616665807 YJTJDKLGOVUGFI-QFIPXVFZSA-N 464.723 5.497 50 10 JKGE CC(C)(C)OC(=O)N1CCCC[C@@H]1[C@@H]1CCC[C@@]12CC[C@@](C)(CI)O2 686241384 BKAMHSGHOUQBLU-ACZWYYKOSA-N 463.400 5.319 50 10 JKGE Cl[C@@H](c1cc(Br)cc2c1OCCC2)c1sccc1I 688403623 FGZAJFSTCTZTPN-LBPRGKRZSA-N 469.569 5.768 50 10 JKGE Cc1cccc(NC(=O)c2oc3c(c2C)C(=NNC(=O)Cc2coc4c(C)c(C)ccc24)CCC3)c1 1772752157 WHFUNYMDZXSHPD-UHFFFAOYSA-N 483.568 5.911 50 10 JKGE CC(C)[C@H]1CC[C@@H](C)C[C@@H]1OC(=O)[C@@H](C)Oc1cccnc1NC(=O)Oc1ccc([N+](=O)[O-])cc1 1858695114 MFYQUDMGWDVCJX-PCBBRVBVSA-N 485.537 5.372 50 10 JKGE N#CC1=C(N)Oc2c(c(-c3ccccc3)nn2Cc2ccccc2Cl)[C@H]1c1cccc2ccccc12 1865682121 GJQJFUVGWYAQGZ-SANMLTNESA-N 488.978 6.623 50 10 JKGE Cc1nn(-c2cccc3ccccc23)c2c1[C@H](c1cccc(Br)c1)C(C#N)=C(N)O2 1865684224 NRTGSTGFCXKLDF-JOCHJYFZSA-N 457.331 5.315 50 10 JKGE COc1ccc(-c2nn(-c3ccccn3)c3c2[C@@H](c2ccc(Cl)cc2Cl)C(C#N)=C(N)O3)cc1 1865685388 HYVZOGHJXPXBMS-NRFANRHFSA-N 490.350 5.468 50 10 JKGE CCOc1ccc([C@@H]2C(C#N)=C(N)Oc3c2c(CC)nn3-c2cccc(Cl)c2)cc1OCC 1865689568 STIISDGPEFKMIA-JOCHJYFZSA-N 464.953 5.104 50 10 JKGE CCCOc1cccc([C@H]2C(C#N)=C(N)Oc3c2c(-c2ccc(OC)cc2)nn3-c2ccc(C)cc2)c1 1865692509 BYFININFXNMSIV-SANMLTNESA-N 492.579 5.863 50 10 JKGE CCOc1ccc([C@@H]2C(C#N)=C(N)Oc3c2c(C(F)(F)F)nn3-c2ccc(Cl)cc2)cc1 1865692736 FRYIJORFIGNSNA-QGZVFWFLSA-N 460.843 5.161 50 10 JKGE CCCCOc1ccc([C@H]2C(C#N)=C(N)Oc3c2c(CC)nn3Cc2ccc(C)cc2)cc1OC 1865697627 YKPBGNRJMPWICB-VWLOTQADSA-N 472.589 5.208 50 10 JKGE Cn1cc([C@H]2C(C#N)=C(N)Oc3c2c(-c2ccccc2)nn3-c2ccccc2Cl)c2ccccc21 1865699003 IGTULUZIUHJXDE-XMMPIXPASA-N 477.955 5.903 50 10 JKGE CCc1nn(-c2ccc(C)cc2)c2c1[C@H](c1ccccc1OCc1ccc(Cl)cc1)C(C#N)=C(N)O2 1865704282 RUNIYZVZFMZURJ-AREMUKBSSA-N 496.998 6.194 50 10 JKGE CCc1nn(-c2ccccc2Cl)c2c1[C@@H](c1ccc(OC(=O)c3ccccc3)cc1)C(C#N)=C(N)O2 1865705106 MISWLQOTTRTLHG-DEOSSOPVSA-N 496.954 5.525 50 10 JKGE CCCc1nn(-c2cccc(Cl)c2)c2c1[C@H](c1ccc(C(F)(F)F)cc1)C(C#N)=C(N)O2 1865711133 QJUCUINNKMLFBD-LJQANCHMSA-N 458.871 5.715 50 10 JKGE C[C@H](Cc1ccc(F)cc1)C(=O)N[C@H](Cc1ccc(F)cc1)C(=O)Nc1ccc(SC#N)cc1 1866821810 MDFAZMSGOGFKMP-MZNJEOGPSA-N 479.552 5.083 50 10 JKGE CSCC[C@@H](NC(=O)[C@H](c1ccc(F)cc1)C(C)C)C(=O)Nc1ccc(SC#N)cc1 1866968813 MHNOSTWFERVQFQ-RTWAWAEBSA-N 459.612 5.015 50 10 JKGE CC[C@@H](NC(=O)[C@H](CC(C)C)c1cccc(Br)c1)C(=O)Nc1ccc(SC#N)cc1 1867213513 QQSKUARDLKBNEV-NHCUHLMSSA-N 488.451 5.685 50 10 JKGE CCc1nc(Nc2ccc(SC#N)cc2)cc(N2CCC(Cc3ccc(C(C)(C)C)cc3)CC2)n1 1868277703 FNMCGCUSHFSIEI-UHFFFAOYSA-N 485.701 7.112 50 10 JKGE O=C1/C(=C/c2ccc(-c3ccccc3)cc2)Oc2cc(OCc3cccc(CCl)c3)ccc21 1871437101 IMOPICKPCFIWMT-NTFVMDSBSA-N 452.937 7.288 50 10 JKGE N#C/C(=C(/O)CCCCCNC(=O)c1ccccc1)c1nc(-c2ccc3c(c2)CCCC3)cs1 1872745541 RSYAJZQCDMZZFO-LCUIJRPUSA-N 471.626 6.472 50 10 JKGE CC[C@H](C)N1C(=O)c2ccc(/C(O)=C(\C#N)c3nc(-c4ccc(Cl)cc4)cs3)cc2C1=O 1872748352 UDJLDEQCCSZYSR-OMEIHDDLSA-N 463.946 5.808 50 10 JKGE CC[C@@H](C)N1C(=O)c2ccc(/C(O)=C(\C#N)c3nc(-c4c[nH]c5ccccc45)cs3)cc2C1=O 1872753050 FSKRSWXEKXWXAJ-GYXJVLCKSA-N 468.538 5.636 50 10 JKGE COc1ccc(-c2csc(/C(C#N)=C(\O)CCCOc3ccc(C(C)(C)C)cc3)n2)c(OC)c1 1872755399 LLELNAWTJHWBJS-GYHWCHFESA-N 478.614 6.777 50 10 JKGE CC[C@H](Br)CN(Cc1ccccc1)c1ncc(Br)c2ccsc12 1915078242 NYPWGDQTIAGSMH-AWEZNQCLSA-N 454.231 6.239 50 10 JKGE CCOc1ccc([C@H](Br)c2cc(C)c(Br)o2)cc1Br 1917605957 KAFXIMHLLSDYTC-ZDUSSCGKSA-N 452.968 5.996 50 10 JKGE Cc1csc([C@H](Cl)c2c(Br)sc(Br)c2Cl)c1Cl 1923038770 KQXOFEZSCMPMMY-ZCFIWIBFSA-N 455.451 7.278 50 10 JKGE Cc1cccc([C@H](Br)[C@@H](C)c2ccncc2Br)c1I 1924038180 DTMJXKQMDMLOTO-IINYFYTJSA-N 494.996 5.997 50 10 JKGE C[C@H](c1ccncc1Br)[C@H](Br)c1cc(Br)ccc1F 1924042282 ZKRQIXXZWPZBEE-CLAHSXSESA-N 451.959 5.985 50 10 JKGE C[C@@H]1COc2ccc([C@@H](Cl)c3ccc(I)c(Br)c3)cc21 1925680529 UHTYYHISETVKQJ-JDNHERCYSA-N 463.540 5.878 50 10 JKGE C[C@@H]1COc2ccc([C@H](Br)c3cc(Br)sc3Br)cc21 1925723399 XEWCJNDSNUNQDN-UHLUBPPHSA-N 467.020 6.253 50 10 JKGE COc1sc([C@H](Br)Cc2cccc(Br)c2)cc1Br 2034628505 FYGFDNRFJVYROT-SNVBAGLBSA-N 455.009 5.960 50 10 JKGE Cc1cc(Br)c([C@@H](Br)C2(C)C(C)(C)C2(C)C)cc1Br 2087368987 LOVYQSMPFUMTRI-CYBMUJFWSA-N 453.056 7.028 50 10 JKGE Cc1c(Br)sc([C@H](Br)[C@@H]2[C@H]3CCCC(F)(F)[C@H]32)c1Br 2114393745 UEBIRUNNZMFVDF-FDDDBJFASA-N 479.022 6.699 50 10 JKGE Cc1c(Br)ccc([C@H](Br)c2cc(F)ccc2F)c1Br 2138848402 GCNLQDVWIDNLMB-AWEZNQCLSA-N 454.934 6.283 50 10 JKGE CC(C)(C)OC1CC([C@H](Br)c2ccc(Br)cc2Br)C1 2138867377 XKXIDARBXUBFOT-IUVQJJGASA-N 455.028 6.241 50 10 JKGE CCC[C@@H]1CN(Cc2ccc(Br)cc2Br)C[C@@H]1CBr 2140786236 LLWAYEACEITBOC-YPMHNXCESA-N 454.044 5.455 50 10 JKGE COc1c(C)cc(Br)cc1[C@@H](Cl)c1ccc(I)cc1 2141640963 XYSZJLDEDBKHQD-AWEZNQCLSA-N 451.529 5.699 50 10 JKGE Fc1cc(F)c([C@@H](Cl)c2ccc(Br)cc2I)c(F)c1 2142287905 PCQBUDSVDQGVFU-ZDUSSCGKSA-N 461.446 5.799 50 10 JKGE Clc1cc(C[C@]2(CBr)CC23CCCCC3)ccc1I 2142939424 GUIGEJLOKQSFRT-MRXNPFEDSA-N 453.589 6.223 50 10 JKGE C[C@H]1Cc2cc([C@@H](Br)c3cc(Cl)sc3Cl)cc(Br)c2O1 2146628944 PXBOCWOQEBHUSK-PWCHPLFNSA-N 457.014 6.625 50 10 JKGE C[C@@H](Br)C[C@H]1CCCCCN1Cc1cccc(Br)c1Br 2148760274 KVTKHRVNZLXVHY-TZMCWYRMSA-N 468.071 6.130 50 10 JKGE CCCCC[C@H]1CC[C@H]([C@H](Br)c2sc(Br)cc2Br)CC1 2168755910 DNGAKPRBEQRAEP-HUBLWGQQSA-N 487.139 8.096 50 10 JKGE C[C@H](Cl)c1nc2cc(Cl)c(Br)cc2n1Cc1ccn(Cc2ccccc2)n1 2169011098 OOHRQCCGLDRJCQ-ZDUSSCGKSA-N 464.194 6.045 50 10 JKGE Cc1nn(C)c2sc([C@@H](Cl)c3c(Br)sc(Br)c3Cl)cc12 2175243234 LAYSYPUNGDYJNX-MRVPVSSYSA-N 475.058 6.511 50 10 JKGE COc1ccc([C@H](Br)Cc2ccccc2I)c(Cl)c1Cl 2203425905 LUWPGCRWNVJQFK-LLVKDONJSA-N 485.974 6.285 50 10 JKGE Cc1c(Br)ccc([C@H](Br)[C@]2(C)CC[C@H](C)C2(C)C)c1Br 2203688466 UXKZVHAACLKXAP-QXKQMHMISA-N 467.083 7.418 50 10 JKGE Cc1sc(Br)c(C)c1[C@H](Br)c1ccc(Cl)cc1Br 2218801093 QTSVMPFEECMPOW-GFCCVEGCSA-N 473.455 7.028 50 10 JKGE Clc1ccc(I)c(CN2C[C@@H](Br)CC23CCCC3)c1 2232277636 FMTTUYGIHXZDAV-LBPRGKRZSA-N 454.577 5.227 50 10 JKGE COc1ccc(Cl)cc1[C@@H](Br)c1cc(Br)c(Br)cc1F 2233977520 VQTKIICPBDXLDP-AWEZNQCLSA-N 487.388 6.497 50 10 JKGE Cc1cc([C@@H](Br)c2cc(C3CC3)c(Br)s2)cc(C)c1Br 2235680852 CIVQITMMNDNFFX-OAHLLOKOSA-N 479.075 7.252 50 10 JKGE FC(F)(F)c1ccc([C@H](Br)c2sc(Br)cc2Br)s1 2263320248 AJOBRMDMNWMWJW-QMMMGPOBSA-N 484.982 6.838 50 10 JKGE Clc1c(Br)csc1[C@@H](Br)c1ccc(-c2cccs2)s1 2264606060 WLVAIOJUIZOZDU-NSHDSACASA-N 454.661 7.438 50 10 JKGE Fc1cc(Cl)c([C@H](Br)c2c(F)cccc2I)cc1F 2267739827 OBAVLBRSUIPADU-ZDUSSCGKSA-N 461.446 5.846 50 10 JKGE Fc1cc(Cl)c([C@@H](Br)c2c(Cl)sc(Cl)c2Cl)cc1Br 2270435711 ZLOMDPDYRXKMJV-MRVPVSSYSA-N 487.830 7.748 50 10 JKGE Brc1cc(Br)cc(C[C@@H](Br)[C@@H]2CC23CCOCC3)c1 2277958916 MIDPALLWXKMGDA-UONOGXRCSA-N 453.012 5.334 50 10 JKGE Fc1cccc(I)c1[C@H](Br)c1ccc(-c2cccs2)s1 2282895975 DDQXWQBBGNUGLN-OAHLLOKOSA-N 479.177 6.705 50 10 JKGE COc1ccc([C@H](Cl)c2cccc(C)c2I)c(Br)c1Cl 2283552007 FCWMHYBBNIYMSA-ZDUSSCGKSA-N 485.974 6.352 50 10 JKGE Fc1cc(Br)c(F)c(Br)c1[C@@H](Br)C[C@H]1CCCOCC1 2288373279 HJRWPJGJPKFDRC-IUCAKERBSA-N 476.981 6.133 50 10 JKGE N#CC(C(=O)NCc1ccccc1)=C1S[C@@H](Cc2ccc(Cl)cc2)C(=O)N1c1ccc(F)cc1 2293039235 QXDIIYINWPFALC-QHCPKHFHSA-N 491.975 5.222 50 10 JKGE N#CC(=Cc1ccc(OCC(=O)Nc2cccc(Cl)c2)cc1)c1nc(O)c2ccccc2n1 2295841127 CXWQLHAMZVWTTQ-UHFFFAOYSA-N 456.889 5.070 50 10 JKGE CCOC(=O)c1c(NC=C(C#N)c2nc(-c3ccc(C)cc3C)cs2)sc2c1CCCC2 2296048013 DTTPVUVNVMMBTG-UHFFFAOYSA-N 463.628 6.521 50 10 JKGE COc1ccc(NC=C(C#N)c2nc(-c3cc4cc(Br)ccc4oc3=O)cs2)cc1 2296652063 PXXUUXHRVDLZPE-UHFFFAOYSA-N 480.343 5.664 50 10 JKGE Cc1cc(C=C(C#N)C(=O)Nc2ccccc2Cl)c(C)n1-c1ccc(N2CCOCC2)cc1 2296659660 ABMCYWFXRIPBNG-UHFFFAOYSA-N 460.965 5.130 50 10 JKGE Cn1c(C(C#N)=Cc2cn(-c3ccccc3)nc2C23CC4CC(CC(C4)C2)C3)nc2ccccc21 2297554054 DATOJYUSAHSDAC-UHFFFAOYSA-N 459.597 6.291 50 10 JKGE Fc1cccc([C@@H](Br)c2ccc(OCc3ccccc3)cc2Br)c1 2299529912 HCNVOVBUZZAELY-HXUWFJFHSA-N 450.145 6.652 50 10 JKGE Cc1c(Cl)cccc1[C@H](Br)c1sc(Cl)cc1I 2300954188 UIMAVSWOHRLHGK-NSHDSACASA-N 461.977 6.452 50 10 JKGE N#CC(=Cc1cn(Cc2ccc(Cl)cc2)c2ccccc12)C(=O)N1CCN(c2ccccc2)CC1 2313545891 MSBSRRFLNGWDHH-UHFFFAOYSA-N 480.999 5.599 50 10 JKGE CCOc1cc(C=C(C#N)C(=O)N(C)C)cc(Br)c1OCc1ccc2ccccc2c1 2313568906 YQQFDARAMKGADA-UHFFFAOYSA-N 479.374 5.575 50 10 JKGE N#CC(=Cc1cc(Br)ccc1OCc1ccccc1F)C(=O)Nc1cccc([N+](=O)[O-])c1 2313681168 PQWOSFLFQUIWMO-UHFFFAOYSA-N 496.292 5.621 50 10 JKGE CCOc1cc(C=C(C#N)C(=O)Nc2ccc(CC)cc2)ccc1OCc1ccccc1Cl 2313738437 DEXRYQDGYWJGGB-UHFFFAOYSA-N 460.961 6.426 50 10 JKGE Cc1cc(Br)cc([C@@H](Cl)c2cc(Br)ccc2OCc2ccccc2)c1 2314447959 CYUJSUKSHXGGGG-OAQYLSRUSA-N 480.627 7.427 50 10 JKGE N#CC(=Cc1ccc(-c2ccccc2[N+](=O)[O-])o1)C(=O)Nc1ccc(C(F)(F)F)c(Cl)c1 2314572311 YHPBMHKUDHLWAS-UHFFFAOYSA-N 461.783 6.073 50 10 JKGE N#CC1=C(N)Oc2cc(OC(=O)C=Cc3ccc(Cl)cc3)ccc2[C@H]1c1cccc(Cl)c1 2314634198 ZGTANSBIKVKPMN-XMMPIXPASA-N 463.320 5.830 50 10 JKGE Fc1c(Br)cc(Cl)c([C@H](Cl)c2ncsc2Br)c1Br 2315441834 MCMSINMKAVGZIY-ZETCQYMHSA-N 498.824 6.551 50 10 JKGE Fc1cscc1[C@H](Br)c1c(Cl)cc(Br)c(F)c1Br 2315447250 LEURYEJTUCEWHH-VIFPVBQESA-N 481.381 6.689 50 10 JKGE CC12CCC([C@@H](Br)c3sc(Cl)cc3I)(CC1)CO2 2316597355 QMUSBAWIBCQDJE-HIFPTAJRSA-N 461.590 5.791 50 10 JKGE Cc1cc(Br)c(F)c(Br)c1[C@H](Br)c1ccc(Cl)o1 2317395328 HRUIOPMTNVHIPM-SNVBAGLBSA-N 461.350 6.390 50 10 JKGE BrCC1(COCc2cc(I)ccc2Br)CCCC1 2318982521 NJAGNDRVFRVISQ-UHFFFAOYSA-N 488.001 5.526 50 10 JKGE COc1cc(C(O)=C(C#N)c2nc(-c3ccc(Br)cc3)cs2)cc(OC)c1OC 2331259769 ZBVBQNUMTDLKRN-UHFFFAOYSA-N 473.348 5.548 50 10 JKGE C[C@@H](Oc1ccc(Cl)cc1Cl)C(O)=C(C#N)c1nc(-c2ccc3c(c2)OCCO3)cs1 2331330691 BQACVQACTYIHQW-GFCCVEGCSA-N 475.353 6.148 50 10 JKGE CCc1cccc(CC)c1N1C[C@H](C(O)=C(C#N)c2nc(-c3ccc(OC)c(F)c3)cs2)CC1=O 2331336258 YXIOSWJKAIKNFK-LJQANCHMSA-N 491.588 5.928 50 10 JKGE COc1ccc(C(C)(C)C)cc1-c1csc(C(C#N)=C(O)C=Cc2ccc(C(C)(C)C)cc2)n1 2331350626 HESODLKGWNDCLL-UHFFFAOYSA-N 472.654 7.920 50 10 JKGE COc1cc(C)c(-c2csc(C(C#N)=C(O)[C@@H](C)Oc3ccc(Cl)cc3)n2)cc1C(C)C 2331356022 FHAFZMCOKAPAOB-MRXNPFEDSA-N 469.006 7.164 50 10 JKGE COC(=O)c1ccc(C=CC(O)=C(C#N)c2nc(-c3cc(Cl)cc(Cl)c3OC)cs2)cc1 2331364043 HIBRNSNFPFVBGR-UHFFFAOYSA-N 487.364 6.418 50 10 JKGE COc1c(C)cc(Cl)cc1-c1csc(C(C#N)=C(O)Cc2ccc(NC(C)=O)cc2)n1 2331392002 CYMHVEANCRTRDG-UHFFFAOYSA-N 453.951 5.774 50 10 JKGE COc1ccc(-c2csc(C(C#N)=C(O)[C@@H]3CC(=O)N([C@@H](C)c4ccccc4)C3)n2)cc1Cl 2331398317 HJHJOQARDAHSFF-MAUKXSAKSA-N 479.989 5.874 50 10 JKGE COc1ccc(-c2csc(C(C#N)=Cc3ccc(OCc4ccccc4Cl)cc3)n2)c(C)c1C 2331468147 DTJAXWQCVGBMDR-UHFFFAOYSA-N 487.024 7.732 50 10 JKGE COc1cc(Br)ccc1[C@@H](Cl)c1cc(Br)ccc1OCc1ccccc1 2336049737 FSFWBGPNTACOSJ-OAQYLSRUSA-N 496.626 7.127 50 10 JKGE C[C@]1([C@@H](Br)c2cc(Br)ccc2OCc2ccccc2)CCCC(F)(F)C1 2336072493 MTDKCZHEVXBRCZ-PMACEKPBSA-N 488.210 7.680 50 10 JKGE C[C@@H]1CCC[C@H]([C@H](Br)c2c(Cl)cc(Br)c(F)c2Br)C1 2337080215 FGFUXGPBWNAXOI-LWINAJNOSA-N 477.437 7.266 50 10 JKGE Clc1ccc(CN2C[C@H](Br)C3(CCCC3)C2)cc1I 2337223682 PPSZFRXTRBTGPM-AWEZNQCLSA-N 454.577 5.084 50 10 JKGE Cc1cc(Br)c(F)c(Br)c1[C@H](Br)C12CC(CCO1)C2 2339649728 YGAPPKSSSAEKRL-KQZUMFKRSA-N 456.975 5.664 50 10 JKGE Clc1ccc(CN2CCCC[C@@H]2CCCBr)c(I)c1 2341024308 GAAXYDJRWKMRDB-CQSZACIVSA-N 456.593 5.474 50 10 JKGE ClCc1ccc(Cl)c(OCc2cc(I)ccc2Br)n1 2341552550 PVAROWGKIYKXIL-UHFFFAOYSA-N 472.935 5.420 50 10 JKGE CS(=O)(=O)C1CC([C@H](Cl)c2c(Cl)cc(Br)c(F)c2Br)C1 2362226755 ZDAUPLQFJUMATL-HPPGLBNUSA-N 468.997 5.107 50 10 JKGE FC(F)(F)[C@]12C[C@]([C@H](Cl)c3ccc(OCc4ccccc4)cc3Br)(CO1)C2 2363839020 PPRACASOLMXVLM-GUDVDZBRSA-N 461.705 6.420 50 10 JKGE Fc1ccc([C@H](Br)CCc2cc(Cl)cc(Cl)c2)c(I)c1 2366888355 ITUDOPGBAYOJMA-CQSZACIVSA-N 487.965 6.806 50 10 JKGE COC(C)(C)C1(CO[C@@H](CI)c2ccc(Br)cc2)CC1 2369666696 BZAIFIMAHLGGSJ-AWEZNQCLSA-N 453.158 5.147 50 10 JKGE CCc1cc(Br)c(OC)c([C@H](Br)c2cc(Br)oc2C)c1 2381254835 BVVVXNYAAJPHKO-CQSZACIVSA-N 466.995 6.168 50 10 JKGE N#C/C(=C\c1c[nH]c2ccccc12)C(=O)Nc1ncc(Cc2cccc(Cl)c2Cl)s1 1454139 KYCQEGOKNORRQY-RIYZIHGNSA-N 453.354 6.068 50 10 JKGE CCOC(=O)c1c(NC(=O)/C(C#N)=C/c2ccc(Cl)cc2)sc(C)c1-c1ccc(Cl)cc1 1974824 DUCNYHRBFJIQRG-SFQUDFHCSA-N 485.392 6.753 50 10 JKGE CCSc1sc(CC)cc1[C@H]1C(C#N)=C(N)N(c2ccccc2C)C2=C1C(=O)CC(C)(C)C2 9982477 FOZPDJOHIFLWNB-QHCPKHFHSA-N 477.699 6.672 50 10 JKGE COc1ccc(C(=O)Oc2ccc(/C=C(/C#N)C(=O)Nc3ccccc3C(F)(F)F)cc2)cc1 33643652 SVEHOGGNMJENII-JXAWBTAJSA-N 466.415 5.479 50 10 JKGE CCCOc1ccc(/C=C\C(=O)Oc2ccc(/C=C(/C#N)c3ccc(Cl)cc3)cc2OC)cc1 33745780 WFCFCVWDWSCINX-JDSLNUHMSA-N 473.956 6.820 50 10 JKGE Cc1ccc2c(C)c(C(=O)Oc3ccc4c(c3)OC(N)=C(C#N)[C@@H]4c3ccc(C(C)C)cc3)oc2c1C 38687100 GOVJDCPKAKEBLF-HHHXNRCGSA-N 492.575 6.919 50 10 JKGE Cc1cc2oc(C(=O)Oc3ccc4c(c3)OC(N)=C(C#N)[C@@H]4c3ccc(Cl)cc3)c(C)c2cc1C 38687773 JBMCINYPYVVQDP-RUZDIDTESA-N 484.939 6.449 50 10 JKGE CCCCOc1ccccc1[C@@H]1C(C#N)=C(N)Oc2cc(OC(=O)c3ccc(OCC)cc3)ccc21 40529719 RTLOEJXOUIZJQT-MHZLTWQESA-N 484.552 5.702 50 10 JKGE O=C(NNc1ncnc(Nc2ccc(Cl)cc2Cl)c1[N+](=O)[O-])c1cccc2ccccc12 40650214 MTYBYTABQFZDMQ-UHFFFAOYSA-N 469.288 5.345 50 10 JKGE Cc1cc(Oc2ncnc(NNC(=O)c3ccc(Cl)cc3Cl)c2N)cc(C)c1Cl 40793449 IPYKUIHNALZEOR-UHFFFAOYSA-N 452.729 5.185 50 10 JKGE CCOc1ccc(/C=C(\C#N)C(=O)Oc2ccc(C(=O)Nc3ccc(C)cc3)cc2)cc1OC 40867031 RDYNHHLIZRITGD-RCCKNPSSSA-N 456.498 5.167 50 10 JKGE COc1cc(/C=N/NC(=O)[C@H](C)Oc2ccc(-c3ccccc3)cc2)ccc1OCc1ccc(C)cc1 40959636 POPGJXCSVNVBRU-VCZNVQPKSA-N 494.591 6.167 50 10 JKGE Cc1c(Br)ccc(-c2ccc(/C=C(\C#N)C(=O)Nc3ccc(Cl)cc3)o2)c1C 58832547 ZPSJQJNXYXHCMR-RVDMUPIBSA-N 455.739 6.525 50 10 JKGE N#C/C(=C\c1ccc(-c2cccc(Br)c2)o1)C(=O)Nc1cccc(Cl)c1Cl 59336406 DTSUAGZBCVWHHD-JLHYYAGUSA-N 462.130 6.562 50 10 JKGE C[C@@H]1CCC[C@H](NC(=O)[C@@H](c2ccc(F)cc2)N(CCC2=CCCCC2)C(=O)CCl)[C@@H]1C 97914515 RNGNMFXNBXJGQH-BCGVJQADSA-N 463.037 5.766 50 10 JKGE CCc1ccc(N2C(=O)[C@@H](Cc3ccccc3C)S/C2=C(/C#N)C(=O)Nc2ccccc2OC)cc1 101246405 GAIAQFGUXQSXNI-LVVXZCGBSA-N 497.620 5.631 50 10 JKGE CCCCCCCOc1ccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4ccco4)ccc32)cc1 101377821 WCDFOLPAACEGIQ-AREMUKBSSA-N 472.541 6.066 50 10 JKGE CCCCCCCCCCCCNC(=O)[C@H]1CCCC[C@H]1C(=O)OC(CCl)CCl 104738642 NVEHSRTYBAHFPB-LEWJYISDSA-N 450.491 6.219 50 10 JKGE Clc1cc2c(cc1[C@@H](Br)c1ccc(I)cc1)OCCCO2 109866259 TUCVBORHUYXWMQ-INIZCTEOSA-N 479.539 5.590 50 10 JKGE Cc1ccccc1C(CBr)(CBr)Cc1ccccc1Br 118877207 VVCTVWCNHYDWPY-UHFFFAOYSA-N 461.035 6.028 50 10 JKGE BrCC(CBr)(CCCc1ccccc1)c1cccc(Br)c1 118878772 GNFPXFHKHJULBO-UHFFFAOYSA-N 475.062 6.500 50 10 JKGE COc1c(C)cc(Br)c(C)c1[C@H](Br)c1cc(C)ccc1Br 125739175 JXBAAAOSMMFUEB-MRXNPFEDSA-N 477.034 6.630 50 10 JKGE CC(C)(c1ccccc1)[C@H](Br)c1cc(Br)c(Br)s1 128260181 SFRADIGCQHGNNG-GFCCVEGCSA-N 453.037 6.687 50 10 JKGE COc1cc([C@H](Cl)c2cc(Br)c(Br)s2)cc(OC)c1OC 128285256 HRZWYXLSVNBHJP-LBPRGKRZSA-N 456.583 5.627 50 10 JKGE O=S(=O)(N[C@@H]1CCCCC[C@@H]1Br)c1c(Cl)cc(Br)cc1Cl 136208937 QJZHDXSFBPDBNY-JOYOIKCWSA-N 480.049 5.130 50 10 JKGE Cc1cccc([C@H](Br)c2cc(Br)ccc2Br)c1Cl 163000647 MIGLJXOHVRYVHM-ZDUSSCGKSA-N 453.399 6.658 50 10 JKGE O=C(NCc1ccc(Oc2cccc([N+](=O)[O-])c2)c(F)c1)c1cnccc1O[C@H](Cl)C1CC1 211947077 FQEXEWRAMWVRRQ-QFIPXVFZSA-N 471.872 5.205 50 10 JKGE CCCCN1C(=O)C(C#N)=C(C)/C(=C/c2cn(-c3ccccc3)nc2C23CC4CC(CC(C4)C2)C3)C1=O 214226590 RPYYWJVVBRPPCD-WGARJPEWSA-N 494.639 5.732 50 10 JKGE CCCOc1ccc([C@@H](Br)c2cc(Cl)ccc2Cl)cc1Br 229008858 HEAHOJLJDYHHGD-MRXNPFEDSA-N 453.001 7.029 50 10 JKGE COc1c(C)cc([C@H](Cl)c2cc(I)ccc2Br)cc1C 234927691 KXKCJHFVCPMIDJ-HNNXBMFYSA-N 465.556 6.007 50 10 JKGE O=C(NN=Cc1cn(-c2ccccc2)nc1-c1ccc(OCc2ccccc2)cc1)c1cccs1 254592212 KIVSKMNYSDFJJT-UHFFFAOYSA-N 478.577 5.944 50 10 JKGE CCCCCCCCCCCCCC(=O)NCC(=O)NN=Cc1cccc(Oc2ccccc2)c1 254795921 SKROOXZYWYCHCN-UHFFFAOYSA-N 479.665 6.746 50 10 JKGE Cc1cc(C)c([C@@H](Br)c2ccc(Br)c(Cl)c2)c(C)c1Br 312717821 GCTRUGVNYWXNII-INIZCTEOSA-N 481.453 7.275 50 10 JKGE C[C@@H]1C[C@@H](n2c(CCl)nc3cc(I)c(F)cc32)CCN1Cc1ccccc1 379600713 AJVPUGLSPSFOIE-ZBFHGGJFSA-N 497.783 5.744 50 10 JKGE COc1cc2nc(CCCl)n(CCCN(Cc3ccccc3)Cc3ccccc3)c2cc1OC 390611426 ZVUVUTJWJYKQAV-UHFFFAOYSA-N 478.036 5.927 50 10 JKGE Cc1cc(Br)c([C@@H](Br)[C@H]2C[C@H](C)O[C@H](C)C2)cc1Br 724375318 DRIZUIKLVSICBB-DDIVZENXSA-N 455.028 6.160 50 10 JKGE Cc1cc(C)cc(CSCC(=O)NN=Cc2ccc(OCc3cccc(Cl)c3)cc2)c1 1084335945 RKODBOGXDYUCCL-UHFFFAOYSA-N 453.007 5.919 50 10 JKGE O=C(Cc1cccc(C(F)(F)F)c1)NN=Cc1ccc(-c2ccc(Cl)cc2[N+](=O)[O-])o1 1084471411 ARNIOTUGTRRYKE-UHFFFAOYSA-N 451.788 5.220 50 10 JKGE Cc1ccc(Cl)cc1NC(=O)/C(C#N)=C\c1cc(Br)ccc1OCc1ccc(F)cc1 1084486654 AETKMNJJMHIHJK-ZDLGFXPLSA-N 499.767 6.675 50 10 JKGE Cc1c(Cl)cccc1NC(=O)c1oc2c(c1C)C(=NNC(=O)c1ccc(F)cc1)CCC2 1772744553 FLEUHPOLKPTMAQ-UHFFFAOYSA-N 453.901 5.412 50 10 JKGE Cc1c(C(=O)Nc2ccc(Cl)c(Cl)c2)oc2c1C(=NNC(=O)c1ccccc1)CCC2 1772745398 ZXLYJPTZBDJASH-UHFFFAOYSA-N 456.329 5.618 50 10 JKGE O=C(COc1cccnc1NC(=O)Oc1ccc([N+](=O)[O-])cc1)Nc1ccc(Nc2ccccc2)cc1 1858684396 KWHRIHQIFMDRDJ-UHFFFAOYSA-N 499.483 5.362 50 10 JKGE CCc1nn(-c2ccc(Br)cc2)c2c1[C@@H](c1ccc(Cl)cc1Cl)C(C#N)=C(N)O2 1865685691 LXNFISUMHISIFM-SFHVURJKSA-N 490.188 5.722 50 10 JKGE CCOc1cc([C@@H]2C(C#N)=C(N)Oc3c2c(-c2ccccc2)nn3C)ccc1OCc1ccccc1 1865693392 JJVKEJWHTZFKMP-RUZDIDTESA-N 478.552 5.283 50 10 JKGE N#CC1=C(N)Oc2c(c(-c3ccccc3)nn2Cc2c(F)cccc2Cl)[C@@H]1c1ccccn1 1865700398 RVAHLMRWZDOIAY-NRFANRHFSA-N 457.896 5.004 50 10 JKGE N#CC1=C(N)Oc2c(c(C(F)(F)F)nn2-c2cccc3ccccc23)[C@@H]1c1ccc(F)cc1F 1865701887 HHDSWRNSMAKISU-LJQANCHMSA-N 468.385 5.541 50 10 JKGE CCc1nn(Cc2ccc(Cl)c(Cl)c2)c2c1[C@H](c1ccc(OC)cc1OC)C(C#N)=C(N)O2 1865708029 LZYSMXORVVWPBN-OAQYLSRUSA-N 485.371 5.036 50 10 JKGE COc1ccc(-c2nn(-c3cccc4ccccc34)c3c2[C@H](c2cccc(C)c2)C(C#N)=C(N)O3)cc1 1865710558 BOKYDLSDXQPAQN-HHHXNRCGSA-N 484.559 6.228 50 10 JKGE COc1ccc(-c2nn(Cc3cccc(Cl)c3)c3c2[C@@H](c2cccc(OC)c2)C(C#N)=C(N)O3)cc1 1865712372 WUACZVIMWCKKPC-DEOSSOPVSA-N 498.970 5.487 50 10 JKGE CSCC[C@@H](NC(=O)C[C@H](c1ccc(C(C)C)cc1)C(C)C)C(=O)Nc1ccc(SC#N)cc1 1866741011 LJLQMYVYMGMDFW-LOSJGSFVSA-N 497.730 6.389 50 10 JKGE CC[C@@H](NC(=O)[C@H](c1ccc(Cl)c(Cl)c1)C(C)C)C(=O)Nc1ccc(SC#N)cc1 1866992526 UMSYPZSHYNKMHU-UXHICEINSA-N 464.418 5.840 50 10 JKGE Cc1cccc2cc3c(nc12)N(c1cc(Nc2ccc(SC#N)cc2)nc(-c2ccccc2)n1)CC3 1868364610 ATERDLPDWADSLU-UHFFFAOYSA-N 486.604 7.011 50 10 JKGE C[C@H](c1cccs1)N1CCN(c2cc(Nc3ccc(SC#N)cc3)nc(-c3ccccc3)n2)CC1 1868365739 VXXQAWIFBALLPI-HXUWFJFHSA-N 498.681 6.405 50 10 JKGE COC(=O)c1ccc(Oc2c(C(F)(F)F)oc3cc(OC(=O)C(Cl)Cl)ccc3c2=O)cc1 1871385403 QQUWXFPFSKNPFB-UHFFFAOYSA-N 491.201 5.100 50 10 JKGE COc1ccc(/C=C(\C#N)c2nc3ccccc3s2)cc1OCc1ccc(Cl)c(Cl)c1 1872726802 LXYFCRIWAOHEOH-LICLKQGHSA-N 467.377 7.255 50 10 JKGE COc1cc(/C=C(\C#N)c2ccc(C(=O)OC(C)C)o2)ccc1OCc1ccc(Cl)c(Cl)c1 1872728487 FMXYBDPTSVPQKG-VCHYOVAHSA-N 486.351 6.803 50 10 JKGE CCc1ccc(-c2csc(/C(C#N)=C(\O)[C@H]([C@@H](C)CC)N3C(=O)c4ccccc4C3=O)n2)cc1 1872743999 CRNIYNCGQUKALY-RRCCURSSSA-N 471.582 5.876 50 10 JKGE Cc1ccc(-c2csc(/C(C#N)=C(\O)c3ccc4c(c3)C(=O)N(c3ccc(F)cc3)C4=O)n2)cc1 1872749457 RYMIOENUDWYXGL-GYHWCHFESA-N 481.508 6.008 50 10 JKGE N#C/C(=C(/O)Cc1cc(Cl)ccc1Cl)c1nc(-c2ccc(Oc3ccccc3)cc2)cs1 1872753994 XPDKXYOLASLFFH-FLFQWRMESA-N 479.388 7.945 50 10 JKGE CCOc1ccc(OCC)c(-c2csc(/C(C#N)=C(\O)CCCOc3ccc(OC)cc3)n2)c1 1872754887 NJQRLGISZOJIHX-GYHWCHFESA-N 480.586 6.268 50 10 JKGE COC(=O)c1c(NC(=O)CCCOc2ccc(C(C)(C)C)cc2)sc(/C(C)=C/C#N)c1C 1873428574 QZRSMDXVJQIWNX-DTQAZKPQSA-N 454.592 5.865 50 10 JKGE COc1ccc(/C=N/NC(=O)CSc2nc3ccccc3[nH]2)cc1OCc1cccc(Cl)c1 1873496440 RGNRGFHVQAPNFR-LGJNPRDNSA-N 480.977 5.046 50 10 JKGE N#C/C(=C(/O)c1ccc(N2C(=O)c3ccccc3C2=O)cc1)c1nc(-c2ccc3ccccc3c2)cs1 1873940765 GMMSZCZQQSVVNJ-RFBIWTDZSA-N 499.551 6.714 50 10 JKGE O=S(=O)(c1ccc(Cl)c(CBr)c1)N(Cc1ccccc1)Cc1ccccc1 1882227135 VHZUYNZXSMEWEE-UHFFFAOYSA-N 464.812 5.626 50 10 JKGE Cc1nsc(Br)c1[C@@H](Cl)c1cc(Br)ccc1Br 1912968783 FKEQKUAFJHQURJ-JTQLQIEISA-N 460.416 6.067 50 10 JKGE Cc1nsc(Br)c1[C@H](Cl)c1scc(C(F)(F)F)c1Br 1912975764 PWESVBFUMSZFRQ-ZETCQYMHSA-N 455.546 6.385 50 10 JKGE C[C@@H](CCCl)N(Cc1ccccc1)S(=O)(=O)c1ccc(Br)cc1Cl 1915070357 VVNBNQKOQRYZKU-ZDUSSCGKSA-N 451.213 5.311 50 10 JKGE CC[C@H](Br)CN(Cc1ccccc1)c1ccc(C(F)(F)F)cc1Br 1915085077 WSYBOLVDJIXVNS-HNNXBMFYSA-N 465.151 6.648 50 10 JKGE CC[C@H](Br)CN(Cc1ccccc1)C(=O)c1ccc2cc(Br)ccc2c1 1915098063 BOSITNBYCDUHNX-FQEVSTJZSA-N 475.224 6.418 50 10 JKGE Cc1cc(Br)c(F)c(C(=O)N(Cc2ccccc2)[C@H](CBr)C(C)C)c1 1915290983 KGCRNUXGVCUNAN-GOSISDBHSA-N 471.208 5.959 50 10 JKGE Cc1c(Br)sc([C@H](Br)C(F)(F)C(F)(F)F)c1Br 1922939401 HTNZOLSQECQVOK-YFKPBYRVSA-N 466.889 6.215 50 10 JKGE Brc1cc(Br)c([C@H](Br)[C@@H]2[C@H]3CCc4ccccc4[C@H]32)s1 1922955305 YEBSOONIHVBTRY-CJYSPXJISA-N 477.059 6.685 50 10 JKGE Clc1c(Br)sc(Br)c1[C@@H](Cl)[C@@H]1CCOc2ccccc21 1923065918 JAUJGBJPUCBWOB-KCJUWKMLSA-N 457.014 6.773 50 10 JKGE Clc1c(Br)sc(Br)c1[C@H](Br)[C@@H]1C[C@H]2C[C@H]1[C@@H]1C[C@H]21 1923073868 BYISXSXRJAKGMH-IWIVTLFVSA-N 475.471 6.655 50 10 JKGE Fc1ccc([C@@H](Cl)c2sc(Cl)cc2Br)c(I)c1 1948823740 QUUBUTSXTGGGFY-SNVBAGLBSA-N 465.940 6.236 50 10 JKGE CN(Cc1ccccc1)[C@H]1CCCN(c2cc(Br)ccc2CBr)C1 2003361122 SANQFAAFAQANIJ-IBGZPJMESA-N 452.234 5.445 50 10 JKGE CC1([C@@H](Br)c2c(Br)sc(Br)c2Cl)CCOCC1 2005761614 MCONQSCZGASQIY-QMMMGPOBSA-N 467.448 6.179 50 10 JKGE CC(C)(C)OC(=O)N1CCC[C@](CI)(O[C@@H]2CC(C)(C)C2(C)C)C1 2025011682 RAUPSMGXBSLGTI-AUUYWEPGSA-N 451.389 5.032 50 10 JKGE O=S(=O)(c1cc(CCl)sc1Br)N(CCC(F)(F)F)Cc1ccccc1 2034737361 HCVSNTZGMGOVJQ-UHFFFAOYSA-N 476.767 5.393 50 10 JKGE CC1(C)C[C@@H](Br)CCN1C(=O)c1csc(Br)c1Br 2050641934 SORGOLQDLPCJKZ-ZETCQYMHSA-N 460.029 5.051 50 10 JKGE C[C@@H](CCCCCI)NCc1cc(Br)ccc1Br 2054714566 UTFHDZONBRRPHG-NSHDSACASA-N 489.033 5.685 50 10 JKGE CC(C)c1ccc(Cn2nc(CBr)c(I)c2C(F)(F)F)cc1 2079245860 POMKVZKFPMVQPR-UHFFFAOYSA-N 487.101 5.573 50 10 JKGE CC(C)(C)[C@@H](N[S@@](=O)C(C)(C)C)c1ccccc1P(c1ccccc1)c1ccccc1 2080747425 OMJJGAYXCQDARO-FKAPRUDGSA-N 451.616 5.584 50 10 JKGE Cc1ccsc1[C@@H](Br)c1c(C)c(Br)cc(C)c1Br 2081072045 QSVHXJQXFRPCCO-ZDUSSCGKSA-N 453.037 6.683 50 10 JKGE Fc1cc(Cl)c([C@@H](Br)c2cc(Br)c(Br)s2)cc1Cl 2083777343 FFIROIPXQMQNSL-SNVBAGLBSA-N 497.836 7.203 50 10 JKGE F[C@H]1CC[C@H](CC(CBr)(CBr)c2cccc(Br)c2)C1 2093928010 PRYBSPGKIJVUJG-FZMZJTMJSA-N 457.019 6.005 50 10 JKGE FC(F)c1ccc([C@@H](Br)c2cc(Br)ccc2Br)cc1 2116016922 XCCKWMXQRUIZKE-CYBMUJFWSA-N 454.934 6.634 50 10 JKGE FC(F)(F)C1([C@@H](Br)c2cc(Br)c(Br)s2)CCOCC1 2116583873 JGFQYCPAWYMUBK-QMMMGPOBSA-N 486.973 6.068 50 10 JKGE Cc1cc(Br)c(C)c([C@@H](Br)[C@H]2CC(C)(C)CO2)c1Br 2136369479 DJESFKCQFXBGHB-RISCZKNCSA-N 455.028 6.080 50 10 JKGE Cc1cc(Br)c(C)c([C@@H](Cl)c2cc(Br)oc2C)c1Br 2136380063 QYFGGHIWQKBTCJ-AWEZNQCLSA-N 471.414 6.821 50 10 JKGE Cc1cc(Cl)c(Br)cc1[C@H](Cl)c1cccc(Br)c1Br 2137640436 PKEVQNFACGRUTF-CQSZACIVSA-N 487.844 7.264 50 10 JKGE COc1cc(Cl)c([C@H](Br)c2cc(Br)sc2C)cc1Br 2137658559 XPTNAVJWYQZKCL-CYBMUJFWSA-N 489.454 6.728 50 10 JKGE Oc1nc2ccc([C@H](Br)c3cccc(Br)c3Br)cc2o1 2148750661 NFRGFBZFSBTTGA-LBPRGKRZSA-N 461.935 5.543 50 10 JKGE CCCCc1ccc([C@@H](Br)c2c(Br)cccc2Br)cc1 2150493726 MXKJUAYBZVVVJM-QGZVFWFLSA-N 461.035 7.039 50 10 JKGE CC(C)(C)OC(=O)NC[C@@]1(C(F)(F)F)CCCN1CC1(CBr)CCCCC1 2163063615 QODVKZLTMDEMCI-GOSISDBHSA-N 457.375 5.253 50 10 JKGE Cc1cc(Br)c([C@@H](Br)Cc2cccc(Cl)c2F)cc1Br 2169761656 WWJZMMODKMDIQC-ZDUSSCGKSA-N 485.416 6.991 50 10 JKGE CN(C(=O)c1ccc(Br)cc1Br)[C@H]1CCCCC[C@H]1Br 2172546959 KFLIMVMFKQPFSK-OCCSQVGLSA-N 468.027 5.380 50 10 JKGE Cc1cc(CBr)cc(S(=O)(=O)N(Cc2ccccc2)[C@@H](C)C(C)(C)C)c1C 2179861509 IJRXTYWZUGNVDV-SFHVURJKSA-N 452.458 5.824 50 10 JKGE C[C@@H]1C[C@H](n2c(CCl)nc3cc(Cl)c(Br)cc32)CN(Cc2ccccc2)C1 2184260216 IKVOSYSGTIVRMR-ZBFHGGJFSA-N 467.238 6.274 50 10 JKGE CC(C)OC(C)(C)CO[C@@](C)(CI)c1ccccc1Br 2189903006 BVIFGNZISTXIMW-INIZCTEOSA-N 455.174 5.320 50 10 JKGE BrCC(CBr)(CC12CCC(CC1)O2)c1cccc(Br)c1 2191803948 RYGPXWBSMLTAAZ-UHFFFAOYSA-N 467.039 5.578 50 10 JKGE Cc1cc(Br)c(C)c([C@H](Br)[C@H]2[C@H]3CCCCC[C@H]32)c1Br 2201077261 IZJAVKDTOVWQQO-RBNVPPIJSA-N 465.067 7.091 50 10 JKGE COc1cc(Cl)c([C@H](Cl)Cc2ccccc2I)cc1Br 2202349461 ZENMKDGHIIJHEQ-GFCCVEGCSA-N 485.974 6.238 50 10 JKGE COc1ccc([C@@H](Br)c2ccc(Br)c(C)c2Br)c(F)c1 2203684249 GOUDYZBTWOGHLA-OAHLLOKOSA-N 466.970 6.152 50 10 JKGE Cl[C@@H](Cc1ccc2c(c1)CCO2)c1ccc(Br)cc1I 2207264492 GDVXLTCJMNNNCY-AWEZNQCLSA-N 463.540 5.511 50 10 JKGE ClCc1cc(Br)cc(Br)c1OCc1cscc1Br 2219922508 GEDKUKNXNBACJQ-UHFFFAOYSA-N 475.427 6.353 50 10 JKGE Cc1sc([C@H](Br)c2ccc(F)c(Br)c2)c(Br)c1C 2221825435 OSJXVYYLHGNJFB-GFCCVEGCSA-N 457.000 6.513 50 10 JKGE Fc1cc(Br)c(Br)cc1[C@@H](Br)C[C@H]1CCCC1(F)F 2225615906 AVOGPDKAYNAKMV-APPZFPTMSA-N 464.945 6.612 50 10 JKGE CC1(C)C(C)(C)C1(C)[C@@H](Br)c1cc(Br)c(Br)cc1F 2225636041 ZGLAFJDRPXSVSO-LBPRGKRZSA-N 457.019 6.859 50 10 JKGE Cc1cc(Br)cc([C@@H](Br)Cc2ccc(Br)cc2Cl)c1 2229148241 BYYWPEQRCZLULI-AWEZNQCLSA-N 467.426 6.852 50 10 JKGE Fc1cc(Br)c(Br)cc1[C@H](Cl)C(C(F)(F)F)C(F)(F)F 2233969573 KUTZBXZTXOOPQJ-ZETCQYMHSA-N 452.389 6.371 50 10 JKGE Cc1cc(Br)c([C@H](Br)C23COC(CF)(C2)C3)c(C)c1Br 2235612828 SDYPEBJEODNMGG-NFOMZHRRSA-N 471.002 5.783 50 10 JKGE Clc1ccc(I)c([C@H](Cl)c2ccc3c(c2Br)CCO3)c1 2238072003 SGRYWDOYYVSHGK-OAHLLOKOSA-N 483.958 5.970 50 10 JKGE CCc1cc([C@@H](Br)c2ccc(C)cc2Br)sc1Br 2255988592 LTZWIYYYHQJLHN-ZDUSSCGKSA-N 453.037 6.628 50 10 JKGE CC(C)[C@H](CBr)N(Cc1ccccc1)C(=O)c1cc(Br)c(F)cc1Cl 2258088557 UCNYTOVXTPFBKB-SFHVURJKSA-N 491.626 6.304 50 10 JKGE Fc1cc([C@H](Cl)c2ccc(Cl)c(I)c2)c(F)cc1Br 2268279542 RAPFESCYCNGALR-CYBMUJFWSA-N 477.901 6.314 50 10 JKGE Clc1cc(Cl)cc(C[C@H](Br)c2ccc(Cl)c(I)c2)c1 2268323152 MKUVANGBMQLYEB-LBPRGKRZSA-N 490.393 6.930 50 10 JKGE COc1ccc([C@@H](Cl)c2ccc(C)c(Br)c2)cc1I 2269545741 QZCRZWPFBBHCRH-HNNXBMFYSA-N 451.529 5.699 50 10 JKGE Fc1cc(Br)c(F)c(Br)c1[C@H](Br)C[C@@H]1CC[C@H]2C[C@@H]12 2272729436 QASPEBGGAFACDA-RBXMUDONSA-N 458.966 6.362 50 10 JKGE COc1ccc([C@@H](Br)Cc2ccccc2Br)c(Br)c1Cl 2283564037 VLZBCIZSZPTQQL-LBPRGKRZSA-N 483.425 6.552 50 10 JKGE Clc1ccc([C@H](Cl)c2ccc(-c3cccs3)s2)cc1I 2283568826 RRJGWNNXULHMNV-HNNXBMFYSA-N 451.181 7.063 50 10 JKGE C[C@@H](Br)CN(CCC(C)(C)C)Cc1cccc(Br)c1Br 2288152363 UYKRBLDPYOYLDG-GFCCVEGCSA-N 470.087 6.233 50 10 JKGE Fc1cc(Br)c(F)c(Br)c1[C@@H](Br)[C@H]1CC12CC(F)(F)C2 2288483222 HWPHQAAIMWIWJX-ANLVUFKYSA-N 480.919 6.361 50 10 JKGE CCCCOc1ccccc1C=C(C#N)C(=O)Nc1ncc(Cc2ccc(Cl)c(Cl)c2)s1 2293038787 ZMNUDWNZLDJRJL-UHFFFAOYSA-N 486.424 6.765 50 10 JKGE COc1cc(C=CC(=O)Cl)cc(I)c1OCc1ccccc1Cl 2293940936 OYIREDGMIROVDD-UHFFFAOYSA-N 463.098 5.311 50 10 JKGE CC(C)C[C@H](NC(=O)[C@@H](CCc1ccccc1)O[Si](C)(C)C(C)(C)C)C(=O)OC(C)(C)C 2295064133 OCGHTRJBGYOVON-FCHUYYIVSA-N 463.735 5.882 50 10 JKGE COc1cc2c(cc1NC=C(C#N)c1nc(-c3ccc(Cl)cc3)cs1)oc1ccccc12 2295945937 YWONQVWJUKIMCJ-UHFFFAOYSA-N 457.942 7.348 50 10 JKGE Cc1cc(C)cc(NC(=O)C(C#N)=C2N=C(NC(=O)c3ccc(Cl)cc3)c3ccccc32)c1 2296311763 VUYIBMYUBGSZRY-UHFFFAOYSA-N 454.917 5.020 50 10 JKGE Fc1c(Br)cc(Cl)c([C@H](Br)[C@H]2CC2(F)F)c1Br 2300165201 ILMWHLKHTBMCQB-WVBDSBKLSA-N 457.309 6.095 50 10 JKGE Cc1ccc([C@@H](Cl)c2sc(Cl)cc2I)c(Br)c1 2300956152 WEEFVOXCNNSGHL-LLVKDONJSA-N 461.977 6.405 50 10 JKGE COc1cc(C=C(C#N)C(=O)Nc2ccc(C)cc2)cc(Cl)c1OCc1ccccc1C#N 2313568504 UAWJIEUFNONYEQ-UHFFFAOYSA-N 457.917 5.653 50 10 JKGE N#CC(=Cc1cc(Br)ccc1OCc1ccccc1Cl)C(=O)Nc1ccccc1F 2313631623 SWGYNKDSBVMTHC-UHFFFAOYSA-N 485.740 6.366 50 10 JKGE COC(=O)c1cccc(Cn2cc(C=C(C#N)C(=O)Nc3cc(C)cc(C)c3)c3ccccc32)c1 2313667934 YYCDPXUMDSHKIE-UHFFFAOYSA-N 463.537 5.639 50 10 JKGE Cc1cc([C@@H](Br)c2ccc(OCc3ccccc3)cc2Br)ccc1F 2314439822 KHXUUMSXHALNIM-OAQYLSRUSA-N 464.172 6.960 50 10 JKGE COc1ccc([C@H](Br)c2ccc(OCc3ccccc3)cc2Br)cc1 2314499642 FINQXWBCKOIPJE-NRFANRHFSA-N 462.181 6.521 50 10 JKGE COc1cccc([C@@H](Br)c2ccc(OCc3ccccc3)cc2Br)c1 2314499650 FJWRQSLQGAQCIE-OAQYLSRUSA-N 462.181 6.521 50 10 JKGE Cc1cc(Oc2nc3ccccn3c(=O)c2C=C(C#N)C(=O)Nc2ccc(F)cc2)ccc1Cl 2314533133 OWKCDPRDJZAEKE-UHFFFAOYSA-N 474.879 5.133 50 10 JKGE CCOc1ccc(N2C(=O)[C@@H](Cc3ccc(C)cc3)SC2=C(C#N)C(=O)Nc2ccc(C)cc2)cc1 2314591723 CIWBLTIYEIRNNZ-AREMUKBSSA-N 497.620 5.767 50 10 JKGE Cc1ccc(NC(=O)C(C#N)=C2S[C@H](Cc3ccc(F)cc3)C(=O)N2c2ccc(C)c(C)c2)cc1 2314592394 SKNFHCMWOHGSGL-RUZDIDTESA-N 485.584 5.816 50 10 JKGE Cc1ccc(C[C@@H]2SC(=C(C#N)C(=O)Nc3ccccc3)N(c3ccc(C(C)C)cc3)C2=O)cc1 2314593574 PLOZYBMUSFGYPM-SANMLTNESA-N 481.621 6.183 50 10 JKGE CCOCCCN1C(=O)C(=Cc2ccc(-c3ccc(Cl)cc3Cl)o2)C(C)=C(C#N)C1=O 2314618046 GGPFAQREBOJQSH-UHFFFAOYSA-N 459.329 5.272 50 10 JKGE Fc1cc([C@H](Br)c2sc(Cl)cc2I)c(F)cc1Cl 2316598958 KEWBSTSNUATCIG-JTQLQIEISA-N 483.930 6.422 50 10 JKGE COc1ccc([C@H](C)NC(=O)C(C#N)=CNc2cc(C(F)(F)F)cc(C(F)(F)F)c2)cc1 2325063174 KZWAATQCUPBFLT-LBPRGKRZSA-N 457.374 5.430 50 10 JKGE O=C(NN=C1C(=O)N(Cc2ccccc2Cl)c2ccccc21)C(c1ccccc1)c1ccccc1 2326838998 LRFSOZWIAUDCIX-UHFFFAOYSA-N 479.967 5.539 50 10 JKGE CC(C)(C)c1ccc(C(=O)NCC(O)=C(C#N)c2nc(-c3cccc([N+](=O)[O-])c3)cs2)cc1 2331232554 VEXJYVGIDOARDC-UHFFFAOYSA-N 462.531 5.238 50 10 JKGE CCc1cccc(C)c1N1C[C@@H](C(O)=C(C#N)c2nc(-c3ccc(C)cc3C)cs2)CC1=O 2331310964 ZUVSSXHXUGGWGR-FQEVSTJZSA-N 457.599 6.144 50 10 JKGE COc1c(Cl)cc(Cl)cc1-c1csc(C(C#N)=C(O)c2cc([N+](=O)[O-])ccc2Cl)n1 2331364214 SPSMKUOFRHRQQO-UHFFFAOYSA-N 482.732 6.637 50 10 JKGE CCCCc1ccc(N2C[C@H](C(O)=C(C#N)c3nc(-c4c(C)c(C)cc(C)c4C)cs3)CC2=O)cc1 2331364610 PZKXWKPULHBPKB-HSZRJFAPSA-N 499.680 7.232 50 10 JKGE CCOc1cc(C=C(C#N)c2nc(C(C)(C)C)cs2)ccc1OCc1c(Cl)cccc1Cl 2331443549 RGGMMPSYXWXWHG-UHFFFAOYSA-N 487.452 7.789 50 10 JKGE Cc1cc(Br)c([C@H](Br)[C@H]2C[C@@H]3CC[C@H]2C3)c(C)c1Br 2334328141 XNLXNAGJEJSBHH-KZTGVZKYSA-N 451.040 6.701 50 10 JKGE FC(F)(C1CCOCC1)[C@@H](Br)c1ccc(OCc2ccccc2)cc1Br 2336082967 GBAGTFKFIQITCV-IBGZPJMESA-N 490.182 6.526 50 10 JKGE COc1cc([C@@H](Br)c2cnsc2Br)c(OC)cc1Br 2337303656 KEFGDYNPUXWGPJ-LLVKDONJSA-N 471.996 5.170 50 10 JKGE COc1c(Br)cc(C)c([C@@H](Br)C(C)(C)C2CC2)c1Br 2339690201 HQEVWIHYMIEJEF-CQSZACIVSA-N 455.028 6.401 50 10 JKGE COc1c(C)cc(Br)cc1[C@@H](Br)c1csc(C)c1Br 2343561733 AEKHCJGFJSXCFO-CYBMUJFWSA-N 469.036 6.383 50 10 JKGE BrC[C@@H]1CCC2(CCC2)N1Cc1ccc(I)c(Br)c1 2349826692 AAEWRSNGKYFKAH-LBPRGKRZSA-N 499.028 5.336 50 10 JKGE C[C@H]1CCCN(Cc2cc(I)ccc2Cl)[C@H]1CCBr 2352418053 QNPUBIUKVGVBEH-NHYWBVRUSA-N 456.593 5.330 50 10 JKGE Fc1c(Br)cc(Cl)c([C@@H](Br)[C@@H]2CCCCC23CC3)c1Br 2362229937 WJYOUJBXVLEIGE-UFBFGSQYSA-N 489.448 7.411 50 10 JKGE Cc1cc(Br)c(F)c(Br)c1[C@@H](Br)CCC1CCCCC1 2365180380 SCCLARQMMWABFS-LBPRGKRZSA-N 471.046 7.456 50 10 JKGE CC(C)n1ncc(Br)c1C[C@@H](CBr)c1cccc(Br)c1 2367985366 KXJFAXJEUHDTQD-LBPRGKRZSA-N 465.027 5.710 50 10 JKGE O=C(NC1CCCCC1)[C@H](c1ccc(Cl)cc1)N(CCc1c[nH]c2ccccc12)C(=O)CCl 3035217 DUXQERZBUKIRCB-VWLOTQADSA-N 486.443 5.621 50 10 JKGE CCc1ccc([C@H]2C(C#N)=C(N)N(c3ccc(Br)cc3)C3=C2C(=O)CCC3)s1 6284233 ZQJWZKTZJKFCRC-HXUWFJFHSA-N 454.393 5.378 50 10 JKGE CCc1cccc(C)c1N/C(SCc1cc(C)ccc1C)=C(/C#N)S(=O)(=O)c1ccccc1 20325601 RBNWKBURQCHRLL-IMVLJIQESA-N 476.667 6.686 50 10 JKGE COc1cccc(/C=N/NC(=O)c2ccc(C(C)(C)C)cc2)c1OCc1ccc(Br)cc1 20468048 QYAIJJBLTIFKSI-LQKURTRISA-N 495.417 6.098 50 10 JKGE N#CC1=C(S)N[C@](O)(c2ccccc2)[C@H]([n+]2cccc3cc(Cl)ccc32)[C@@H]1c1ccsc1 33899307 MVVRSFFRAZNNJG-OYRHQHFDSA-O 477.034 5.281 50 10 JKGE CN(C)c1ccc(N2C(=O)CS[C@@H]2c2cccc(NC(=O)[C@H](Cl)c3ccccc3)c2)cc1 35928527 FKAYDFALVBAYLT-ILBGXUMGSA-N 466.006 5.450 50 10 JKGE CCOc1cc(/C=C2/C(=O)N(C(C)C)C(=O)C(C#N)=C2C)ccc1OCc1ccccc1Cl 38604616 OTFVIOLSVQUUJT-UDWIEESQSA-N 464.949 5.318 50 10 JKGE CCOc1ccccc1[C@@H]1C(C#N)=C(N)Oc2cc(OC(=O)c3ccc(C(C)(C)C)cc3)ccc21 38650432 KQLNAVYMQSCMBV-SANMLTNESA-N 468.553 5.820 50 10 JKGE N#CC1=C(N)Oc2cc(OC(=O)Cc3ccccc3)ccc2[C@H]1c1ccc(Cl)cc1Cl 38655631 WTBPPPWQBCLCKK-HSZRJFAPSA-N 451.309 5.360 50 10 JKGE C=CCOc1ccc(C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@H]3c2ccccc2OCCCC)cc1 38682902 FUYKGEIEBAQUEO-NDEPHWFRSA-N 496.563 5.868 50 10 JKGE O=C(NNC(=O)c1cccc(Cl)c1)c1ccc(-n2nc(C(F)(F)F)cc2-c2cccs2)cc1 39852364 ZFEIUMYWIUZMFR-UHFFFAOYSA-N 490.894 5.348 50 10 JKGE COc1ccc(C(=O)N/N=C2\CCCc3oc(C(=O)Nc4ccc(Br)cc4)c(C)c32)cc1 40813874 VBUOYGXZPQMAKZ-ZXVVBBHZSA-N 496.361 5.082 50 10 JKGE COc1cc(/C=N/NC(=O)COc2cc(C)ccc2C(C)C)ccc1OCc1ccc(C)cc1 40911140 QBWLUDSTKNVXSM-MUFRIFMGSA-N 460.574 5.544 50 10 JKGE CCOc1cc(/C=C(\C#N)C(=O)Nc2ccccc2Cl)ccc1OCc1ccccc1Cl 59117270 SNCUVGIOLZWEEO-CPNJWEJPSA-N 467.352 6.517 50 10 JKGE N#C/C(=C/c1cc(Br)ccc1OCc1ccc(F)cc1)C(=O)Nc1ccccc1 59536110 PRCRVJDRQXMINS-PDGQHHTCSA-N 451.295 5.713 50 10 JKGE Clc1cc(Br)ccc1[C@@H](Cl)c1cc(Br)ccc1Br 109803282 NYCLEEPGVFWXIF-CYBMUJFWSA-N 473.817 6.956 50 10 JKGE COc1ccc(C[C@@H](Br)c2cc(Br)sc2Br)cc1 109869979 BRJWNTXPFRIEFJ-LLVKDONJSA-N 455.009 5.960 50 10 JKGE C[C@@H]1COc2ccc([C@@H](Cl)c3cc(Br)c(Br)s3)cc2OC1 128565711 IFDCMJPZOJTMHW-XLKFXECMSA-N 452.595 6.009 50 10 JKGE CCOc1ccc([C@@H](Br)c2ccc(Br)cc2OC)c(Br)c1 160787306 WANDRLIZSKLNPA-MRXNPFEDSA-N 479.006 6.103 50 10 JKGE O=C1COc2ccc([C@@H](Br)c3cc(Br)ccc3Br)cc2N1 161091301 QWKMDIDHURUTTP-OAHLLOKOSA-N 475.962 5.027 50 10 JKGE COc1cc(F)c([C@H](Br)c2ccc(Br)cc2Br)c(F)c1 235001965 BQULWGDZXPGEFY-CQSZACIVSA-N 470.933 5.983 50 10 JKGE CC(=NNC(=O)c1sc2ccccc2c1Cl)c1ccc(NC(=O)c2cc(C)on2)cc1 252604634 GBPFGPIPZJLJMV-UHFFFAOYSA-N 452.923 5.257 50 10 JKGE C[C@@H]1[C@H](n2c(CCl)nc3cc(I)c(F)cc32)CCN1Cc1ccccc1 311594715 DXMPOPZGDACGFQ-FZKQIMNGSA-N 483.756 5.354 50 10 JKGE Fc1cc(Br)cc([C@H](Br)c2scc(C(F)(F)F)c2Br)c1 380082346 BAPJBTMABYPZQO-VIFPVBQESA-N 496.943 6.915 50 10 JKGE CC(C)(C)[Si](C)(C)OCCN1CCC[C@H](c2cccc(CO[Si](C)(C)C(C)(C)C)c2)CC1 616627038 BEUFHRUZLBDTEB-DEOSSOPVSA-N 477.882 7.800 50 10 JKGE CN(C(=O)OC(C)(C)C)c1cccc([C@@H]2CN(CCO[Si](C)(C)C(C)(C)C)CCO2)c1 616648050 LLHBBRSXUNBZMA-NRFANRHFSA-N 450.696 5.453 50 10 JKGE Cc1nn(C)c(CC(CBr)(CBr)C2CCCCC2)c1Br 696836162 HGUMETNDQVECDH-UHFFFAOYSA-N 471.075 5.390 50 10 JKGE Cc1cc(Br)c([C@@H](Cl)c2cn(C)c(Br)n2)cc1Br 698435816 WVIQEOCZJSELIY-LLVKDONJSA-N 457.391 5.344 50 10 JKGE Clc1cccc(CC(CBr)(CBr)C2CCCCC2)c1Br 719392486 DWOWQZDYQOOIGO-UHFFFAOYSA-N 487.501 7.002 50 10 JKGE COc1ccc([C@H](Br)c2ccc(C)c(Br)c2C)cc1Br 719546162 RGJPDYONFQTURD-INIZCTEOSA-N 463.007 6.321 50 10 JKGE CC[C@@H](Br)c1nnc(-c2ccc(I)c(Br)c2)s1 721576676 HHTASWSWQJUGAT-SSDOTTSWSA-N 487.986 5.418 50 10 JKGE Cc1cc([C@@H](Br)c2cccc(F)c2I)c(C)cc1Br 721693076 RBBYPCXLXQNVLE-AWEZNQCLSA-N 497.971 6.294 50 10 JKGE Cc1cc(C)cc(-n2c(C)c(Br)c(C=NNC(=O)[C@@H](C)Sc3ccccc3)c2C)c1 725388175 BFCKKBULBIOUDN-LJQANCHMSA-N 484.463 6.104 50 10 JKGE COc1cc(C=NNC(=O)COc2cccc(C)c2C)ccc1OCc1ccccc1Cl 725407652 VEQZEUVONNRMTA-UHFFFAOYSA-N 452.938 5.074 50 10 JKGE COc1cc(C=NNC(=O)c2cc3ccccc3o2)ccc1OCc1ccc(Br)cc1 1084094631 ZNZWSGHXXWFGFY-UHFFFAOYSA-N 479.330 5.547 50 10 JKGE Cc1cc(C)c(C(CSc2nc3ccccc3s2)=NNC(=O)c2cccc([N+](=O)[O-])c2)cc1C 1084440940 SQYMXXFKNFKMTB-UHFFFAOYSA-N 490.610 6.056 50 10 JKGE Cc1c(C(=O)N2CCCc3ccccc32)oc2c1C(=NNC(=O)c1cccc(Cl)c1)CCC2 1772745816 IJWQAKQBGKCVND-UHFFFAOYSA-N 461.949 5.305 50 10 JKGE CCOc1cc([C@@H]2C(C#N)=C(N)Oc3c2c(-c2ccccc2)nn3-c2ccccc2Cl)ccc1O 1865681084 DRYCZTZKQYKQRY-HSZRJFAPSA-N 484.943 5.515 50 10 JKGE N#CC1=C(N)Oc2c(c(-c3ccccc3)nn2Cc2ccccc2F)[C@@H]1c1cccc2ccccc12 1865682370 NAKKAFCQGUGTBO-AREMUKBSSA-N 472.523 6.109 50 10 JKGE N#CC1=C(N)Oc2c(c(C(F)(F)F)nn2-c2ccccc2Cl)[C@H]1c1ccccc1Cl 1865685944 PIWKCKGSIWKAFY-HNNXBMFYSA-N 451.235 5.416 50 10 JKGE CCCCCOc1ccc([C@@H]2C(C#N)=C(N)Oc3c2c(CCC)nn3CC(C)C)cc1OCC 1865691647 XHVJKCNYQQRRAF-XMMPIXPASA-N 466.626 5.677 50 10 JKGE CCc1nn(Cc2ccccc2F)c2c1[C@@H](c1ccc(OC(=O)c3ccccc3)cc1)C(C#N)=C(N)O2 1865705507 XJWUKSRUSDLAQK-VWLOTQADSA-N 494.526 5.070 50 10 JKGE N#CC1=C(N)Oc2c(c(-c3ccccc3)nn2Cc2ccccc2Cl)[C@@H]1c1ccccc1O 1865708186 QDXPUORPCUBSNI-JOCHJYFZSA-N 454.917 5.176 50 10 JKGE COc1ccc(-c2nn(Cc3cc(C)ccc3C)c3c2[C@H](c2ccc(F)cc2)C(C#N)=C(N)O3)cc1 1865708386 VTWPFHOTHLIIFC-RUZDIDTESA-N 480.543 5.581 50 10 JKGE N#CC1=C(N)Oc2c(c(-c3ccccc3)nn2-c2ccccc2)[C@H]1c1ccc(C(F)(F)F)cc1 1865710964 MOTLAKPQYWPAJO-NRFANRHFSA-N 458.443 5.776 50 10 JKGE CCCC[C@H](NC(=O)c1cccc(N(CCC)CCC)n1)C(=O)Nc1ccc(SC#N)cc1 1866601845 AGRLPKRAORDYIY-QFIPXVFZSA-N 467.639 5.208 50 10 JKGE N#CSc1ccc(Nc2cc(N3CCO[C@@H](c4ccccc4)C3)nc(Cc3ccccc3)n2)cc1 1868207174 IQGDEKDDSRNHBK-RUZDIDTESA-N 479.609 5.962 50 10 JKGE COCCCN1C(=O)c2ccc(/C(O)=C(\C#N)c3nc(-c4ccc5c(c4)CCCC5)cs3)cc2C1=O 1872745566 TVNRZCXAVDVWCG-BZZOAKBMSA-N 499.592 5.271 50 10 JKGE COc1ccc(-c2csc(/C(C#N)=C(\O)COc3ccc(Cl)cc3Cl)n2)cc1F 1872752793 SJUOHJYNKLKMRM-LGMDPLHJSA-N 451.306 6.136 50 10 JKGE N#C/C(=C\c1ccc(OCc2ccccc2Cl)cc1)c1nc(-c2ccc([N+](=O)[O-])cc2)cs1 1872784745 ZFOXYIBAIBRIAN-DEDYPNTBSA-N 473.941 7.015 50 10 JKGE CCOc1cc(/C=C(\C#N)c2nc(-c3cccs3)cs2)ccc1OCC(=O)N(CC)CC 1872791475 ISJRLQUIRZKJKC-LDADJPATSA-N 467.616 5.582 50 10 JKGE CCN(Cc1ccccc1)c1ccc(/C=C(\C#N)c2nc(-c3ccc(OC)c(Cl)c3)cs2)cc1 1872794529 HMVKJOZBSUHVSD-HZHRSRAPSA-N 486.040 7.563 50 10 JKGE COc1cc([C@H](Br)c2ccc(F)c(Br)c2)ccc1Br 1876919526 UQCRFNWSPCLNHZ-CQSZACIVSA-N 452.943 5.844 50 10 JKGE CCc1nn(C)c([C@@H](Br)c2cc(Br)sc2CC)c1Br 1877186052 MPJWPBQVOQTMJW-NSHDSACASA-N 471.056 5.616 50 10 JKGE C[C@H](CCCl)N(Cc1ccccc1)c1ncc(I)cc1Br 1888099418 TVLWMXKBJJYSCQ-GFCCVEGCSA-N 479.587 5.473 50 10 JKGE CN(CCN(Cc1ccccc1)c1ccnc(Cl)c1CBr)Cc1ccccc1 1892826196 SSWLSOBUKSZHBX-UHFFFAOYSA-N 458.831 5.769 50 10 JKGE Cl[C@@H](c1cc(Br)ccc1OCc1ccccc1)c1csnc1Br 1899863485 FGZWDIUISMVTSQ-INIZCTEOSA-N 473.617 6.575 50 10 JKGE COc1ccc(C(=O)N(Cc2ccccc2)[C@H](CBr)C(C)C)cc1Br 1915325212 ZXFOGMJIQRUJPE-GOSISDBHSA-N 469.217 5.520 50 10 JKGE Brc1cc(Br)c([C@H](Br)C2(c3ccccc3)CC2)s1 1922944025 XKQGBSCIKNRMHT-ZDUSSCGKSA-N 451.021 6.441 50 10 JKGE Clc1c(Br)sc(Br)c1[C@H](Br)[C@@H]1CC[C@@H]2C[C@H]2C1 1923050482 VXZASGJAMYQGFX-JAGXHNFQSA-N 463.460 6.799 50 10 JKGE Cl[C@H](C[C@H]1C[C@H]2CC[C@H]1C2)c1c(Br)sc(Br)c1Br 1924592531 ZVLXZKJAIULGFI-RBXMUDONSA-N 477.487 7.142 50 10 JKGE CC(F)(F)[C@@H]1C[C@@H]1[C@@H](Br)c1c(Br)sc(Br)c1Cl 2000491298 IRTZQNKGZKSIRQ-MRKVFDINSA-N 473.402 6.654 50 10 JKGE CCc1cc(Br)c([C@H](Cl)c2cccc(F)c2I)s1 2029232545 JPLZWAQENQMCKU-LLVKDONJSA-N 459.549 6.145 50 10 JKGE COc1cc(Br)c(C)cc1[C@H](Br)c1csc(Br)c1 2029250934 DPZUVYDMXDLJHT-CYBMUJFWSA-N 455.009 6.074 50 10 JKGE Cl[C@H](Cc1cccc(Br)c1)c1c(Br)cccc1Br 2033091111 NDTKILYNORFAJI-CYBMUJFWSA-N 453.399 6.497 50 10 JKGE Fc1cc(Cl)c(Br)cc1[C@H](Br)c1ccc(Br)cc1 2036572657 RNVCQIOKXQPFHS-CYBMUJFWSA-N 457.362 6.488 50 10 JKGE CC1(C)C[C@@H](N(Cc2ccccc2)c2cc(Br)cc(F)c2CBr)CO1 2051133029 KKWWXYDGHUKCIQ-MRXNPFEDSA-N 471.208 6.057 50 10 JKGE FC1(F)CCC[C@@H]2[C@H]([C@@H](Br)c3cc(Br)sc3Br)[C@@H]21 2051244507 TWTCPYRPMCEPSZ-NZENMJELSA-N 464.995 6.391 50 10 JKGE CC12CC([C@H](Br)c3cc(Br)sc3Br)(C1)C(C)(C)O2 2058143309 JWTXPFCMRZXSCU-UHEGKEBESA-N 459.041 6.057 50 10 JKGE CC(C)C[C@@H]1CN(C(=O)OC(C)(C)C)CC[C@H]1NCCSSCCNC(=O)OC(C)(C)C 2061264977 WDGXMQCQTIVXCS-RTBURBONSA-N 491.764 5.154 50 10 JKGE Cc1ccc(C)c(-n2nc(CBr)c(I)c2C(F)(F)F)c1 2079257905 DAPKDKMHGYCLOM-UHFFFAOYSA-N 459.047 5.007 50 10 JKGE Cc1sc(Br)c([C@@H](Cl)c2cc(I)ccc2F)c1C 2082876542 PVMVRBPTIDICFS-LBPRGKRZSA-N 459.549 6.199 50 10 JKGE Cc1c(Br)ccc([C@H](Br)[C@@H]2C[C@@H]2C(F)(F)F)c1Br 2083331531 ADVKDQGSCUGKRA-FYBVGQRMSA-N 450.918 6.154 50 10 JKGE Brc1cc(Br)c([C@@H](Br)[C@H]2C[C@H]3COC[C@H](C3)C2)s1 2085741179 MRFUXOCYBWFPRL-NHRVJRKFSA-N 459.041 5.772 50 10 JKGE CC1(C)CCO[C@H]1COc1c(Br)cc(CBr)cc1Br 2097983193 RFKGEQFGRPMFLB-LBPRGKRZSA-N 457.000 5.300 50 10 JKGE CN(C[C@@H]1CCCCN1Cc1ccccc1)c1c(CCl)ccc(Br)c1Cl 2098116668 JXOIVOQVFQQNBO-SFHVURJKSA-N 456.255 6.332 50 10 JKGE BrC[C@@H]1C[C@@H]2CCC[C@@H]2N1Cc1cccc(Br)c1Br 2108399566 ODZOZLYDNFRVQG-JKOKRWQUSA-N 452.028 5.350 50 10 JKGE Clc1cccc([C@@H](Br)CCc2ccc(Br)cc2Br)c1 2113491258 MTIHSLLVGUKGIC-AWEZNQCLSA-N 467.426 6.934 50 10 JKGE CO[C@H]1C[C@H]([C@@H](Cl)c2c(Br)sc(Br)c2Cl)C[C@H]1OC 2118271420 ORKGHWVSWAVOLK-JAGXHNFQSA-N 453.023 5.646 50 10 JKGE CCn1cc(Br)c([C@H](Br)c2cc(C3CC3)c(Br)s2)n1 2124772397 UTMBMKRNVRZQHR-LLVKDONJSA-N 469.040 5.851 50 10 JKGE Brc1cccc(C[C@H]2C[C@@H](Br)CC3(CCC3)C2)c1Br 2127179213 WINOKZUVMAZJQZ-WCQYABFASA-N 451.040 6.488 50 10 JKGE Cc1cc(Br)c(C)c([C@@H](Br)C2(CC3CC3)CC2)c1Br 2136378106 BOOJRSBSDKOGDS-OAHLLOKOSA-N 451.040 6.845 50 10 JKGE COc1cc(F)c([C@@H](Br)c2cc(C)c(Br)s2)cc1Br 2138160223 LFGAPLZXWNKHEW-GFCCVEGCSA-N 472.999 6.214 50 10 JKGE Brc1ccc([C@H](Br)C2CC3(CCCCC3)C2)c(Br)c1 2138859509 BSTLHYZMYHHDTB-OAHLLOKOSA-N 451.040 7.008 50 10 JKGE Cc1cc([C@@H](Br)c2ccc(I)c(C)c2)c(Cl)cc1F 2142140244 HLIWTPGQJHPONX-HNNXBMFYSA-N 453.520 6.185 50 10 JKGE COc1cc(F)c(Cl)cc1[C@@H](Br)c1scc(Br)c1Br 2142373595 CGKRTOSPOZLVEU-SNVBAGLBSA-N 493.417 6.559 50 10 JKGE Clc1cc(C[C@@H]2C[C@@H](Br)CC3(CCC3)C2)ccc1I 2142938952 CMKJFLHKBWBXHY-CHWSQXEVSA-N 453.589 6.221 50 10 JKGE COc1cc(C)c([C@H](Br)c2csc(Br)c2Br)cc1OC 2150344349 IYEGOTYLMUZTMS-LBPRGKRZSA-N 485.035 6.083 50 10 JKGE C[C@H](Cl)c1nc2cc(I)c(F)cc2n1[C@]12C[C@@H]1CN(Cc1ccccc1)C2 2155865700 TWRGABPLBFCUMP-KUUHDYPXSA-N 495.767 5.311 50 10 JKGE Cc1c(Br)sc([C@H](Br)[C@@H]2C[C@H]3CCCCCC[C@@H]32)c1Br 2166120400 SVFLUXJLGWLYKJ-GFQSEFKGSA-N 485.123 7.624 50 10 JKGE CCOc1ccc([C@@H](Br)c2nn(C)c(Cl)c2Br)c(Br)c1 2167049690 GYOPSOUKBFJGLC-SNVBAGLBSA-N 487.417 5.482 50 10 JKGE C[C@H](Cl)c1nc2cc(Cl)c(Br)cc2n1[C@]1(C)CCN(Cc2ccccc2)C1 2169004963 FGAAQTAYDVKVHS-LHSJRXKWSA-N 467.238 6.373 50 10 JKGE C[C@@H]1CC[C@H](C(C)(C)Cc2cc(Br)ccc2Br)[C@@H](Br)C1 2175145361 TUOMHRWPTWBOEM-WPGHFRTFSA-N 467.083 6.980 50 10 JKGE Cc1ccc(Cl)cc1[C@@H](Br)c1c(C)c(Br)cc(C)c1Br 2201072406 UQGNKSQAXXBSQN-MRXNPFEDSA-N 481.453 7.275 50 10 JKGE COc1cc(Cl)c([C@@H](Cl)c2nn(C)c(Cl)c2Br)cc1Br 2202363589 YDWXINMMADZSID-SNVBAGLBSA-N 463.384 5.589 50 10 JKGE Cc1sc([C@@H](Br)c2cc(Cl)c(Br)s2)cc1Br 2210614378 PVHNQTVMGHJWMT-SECBINFHSA-N 465.457 6.781 50 10 JKGE CC[C@@H]1CN(C(=O)OCc2ccccc2)[C@H](CC)CN1CCCCCI 2211184603 FAGVDONSVHTIBF-WOJBJXKFSA-N 472.411 5.103 50 10 JKGE Cl[C@H](c1c(Br)sc(Br)c1Br)[C@@H]1OC[C@@H]2CCC[C@H]21 2218088864 HZHIDOUHMQYFFM-NAXOPYRSSA-N 479.459 6.131 50 10 JKGE COc1sc([C@H](Br)Cc2ccc(Br)cc2Cl)cc1Br 2229147922 PLNOVDBIPOKMHN-SECBINFHSA-N 489.454 6.614 50 10 JKGE CCOCc1cc(Br)c([C@@H](Br)Cc2cccc(Br)c2)s1 2233019577 HXGJDBIJXSJNKW-ZDUSSCGKSA-N 483.063 6.488 50 10 JKGE Cc1sc([C@H](Br)c2cc(Br)c3c(c2)CCCO3)cc1Br 2234473987 IWGOXUYLCSPWRE-CQSZACIVSA-N 481.047 6.391 50 10 JKGE Cc1cc([C@@H](Br)c2ccc3c(c2Br)CCO3)ccc1Br 2238078065 ZLPYQNWNWKWCLV-OAHLLOKOSA-N 460.991 5.939 50 10 JKGE Clc1c(Br)sc(Br)c1[C@H](Br)[C@]12CCC[C@@H]1CC2 2251091021 BPIQROOFWXBCJG-ZIGWGHGNSA-N 463.460 6.943 50 10 JKGE COc1ccc([C@@H](Cl)c2scc(Br)c2Cl)cc1I 2257368683 RSMOZWUANWOZLH-SNVBAGLBSA-N 477.976 6.105 50 10 JKGE C[C@@H]1[C@H]([C@@H](Br)c2c(F)cc(Br)c(F)c2Br)C1(F)F 2260014600 QEHWFHGJOOLIDP-AWIRSFSWSA-N 454.881 5.827 50 10 JKGE Cc1ncc(Br)cc1Oc1cc(Br)cc(F)c1CBr 2265222271 CPAQWAGOZPZQOE-UHFFFAOYSA-N 453.931 5.741 50 10 JKGE Cc1cc(Br)c([C@H](Cl)c2cccc(Cl)c2Br)cc1Br 2267980636 WZGFRVMCMBAZOM-CQSZACIVSA-N 487.844 7.264 50 10 JKGE COc1ccc([C@H](Br)c2cc(Cl)ccc2C)cc1I 2269558241 YDIMSULVNUCBKQ-HNNXBMFYSA-N 451.529 5.746 50 10 JKGE Cc1cc(Br)c([C@H](Br)Cc2ccccc2Br)c(C)c1F 2279147307 TWZIKSMWXCJJNL-CQSZACIVSA-N 464.998 6.646 50 10 JKGE Clc1ccc([C@@H](Br)c2ccc3c(c2)CCCO3)cc1I 2283587588 WFYXZPURNQLEFI-INIZCTEOSA-N 463.540 5.754 50 10 JKGE COc1ccc(Br)c2c1nc(CCCl)n2C[C@H](C)N(C)Cc1ccccc1 2286080832 LVHDBYUBFAQRAR-HNNXBMFYSA-N 450.808 5.109 50 10 JKGE Fc1cc(F)cc([C@H](Br)c2c(F)cc(Br)c(F)c2Br)c1 2288373287 HOSIFTPKHGFYHV-NSHDSACASA-N 476.887 6.252 50 10 JKGE Fc1cc(Br)c(F)c(Br)c1[C@@H](Br)CC[C@H]1CCCCO1 2288493225 PVSFLNPMVOTGDV-BDAKNGLRSA-N 476.981 6.275 50 10 JKGE CCc1ccc([C@H](Br)c2c(F)cc(Br)c(F)c2Br)cc1 2288493641 VOTZJOJOXIUNIH-ZDUSSCGKSA-N 468.961 6.537 50 10 JKGE N#CC(=Cc1ccc(OCc2ccc(C(=O)O)cc2)cc1)C(=O)Nc1ccc(Br)cc1 2294171951 MBFZHZIUZOXEDA-UHFFFAOYSA-N 477.314 5.272 50 10 JKGE COc1cc(Cl)c([C@@H](Cl)c2scc(Br)c2Br)c(OC)c1 2294911124 CJDZCGNZLCUHFW-GFCCVEGCSA-N 461.002 6.272 50 10 JKGE COc1cc(C)c(Cl)cc1[C@@H](Br)c1c(F)cccc1I 2295301553 NBKUONXMVNNCHO-OAHLLOKOSA-N 469.519 5.885 50 10 JKGE Brc1cc(Br)cc(C[C@H](Br)[C@H]2C[C@H]2c2ccccc2)c1 2295345331 KTVRODLUSBGAHY-ULQDDVLXSA-N 459.019 6.321 50 10 JKGE COc1c(Br)cc(Cl)c(C)c1[C@@H](Br)c1c(Br)cnn1C 2295363217 STUGSOVBPMICBB-LLVKDONJSA-N 487.417 5.400 50 10 JKGE CCOC(=O)c1c(-c2ccccc2)csc1NC(=O)C(C#N)=Cc1ccccc1OC(C)C 2296819116 WXAQLNCQRZIXNK-UHFFFAOYSA-N 460.555 5.925 50 10 JKGE Cc1ccc(Oc2nc3ccccn3c(=O)c2C=C(C#N)S(=O)(=O)c2ccc(Cl)cc2)c(C)c1 2296846568 XWANQBBMGGURJR-UHFFFAOYSA-N 491.956 5.095 50 10 JKGE N#CC(=Cc1cc(Br)c(O)c(Br)c1)C(=O)Nc1ccccc1Cl 2297381902 UGBROADCMGBXRL-UHFFFAOYSA-N 456.521 5.116 50 10 JKGE COC(=O)C(C#N)=Cc1cc(Br)c(OCc2ccc(Cl)cc2Cl)c(OC)c1 2297576626 XHJBHFIUWATSGJ-UHFFFAOYSA-N 471.134 5.423 50 10 JKGE Cc1cc([C@@H](Cl)c2cc(Br)ccc2OCc2ccccc2)oc1Br 2299510729 RORYQBWGWFZYTA-SFHVURJKSA-N 470.588 7.020 50 10 JKGE Brc1ccc(OCc2ccccc2)c([C@@H](Br)C23CCC(CC2)O3)c1 2299522790 NOZZOJGSTIQKLQ-NQKNOSNGSA-N 452.186 6.176 50 10 JKGE Brc1cc(OCc2ccccc2)ccc1[C@@H](Br)CC[C@@H]1CCCO1 2299530214 KAIYCOIUAZFESH-LPHOPBHVSA-N 454.202 6.423 50 10 JKGE C[C@@H]1CC[C@@H](Br)[C@H](Cc2ccc(I)c(Br)c2)C1 2306199615 OGWKQZYGYZGPNU-ADEWGFFLSA-N 472.002 5.796 50 10 JKGE Cc1cc(-n2c(C)cc(C=C(C#N)C(=O)NCc3cccs3)c2C)ccc1Br 2313540700 PIIWPRUWUUPOCE-UHFFFAOYSA-N 454.393 5.450 50 10 JKGE Cc1ccc(NC(=O)C(C#N)=Cc2cc(Br)ccc2OCc2cccc(F)c2)c(C)c1 2313667218 ICVOLOBACVJOSQ-UHFFFAOYSA-N 479.349 6.330 50 10 JKGE Brc1cc(OCc2ccccc2)ccc1[C@H](Br)[C@@]12CCC[C@@H](C1)OC2 2314488027 IFQAOFVYABIWES-YYWHXJBOSA-N 466.213 6.423 50 10 JKGE Fc1ccc(Cl)cc1[C@H](Br)c1cc(Br)ccc1OCc1ccccc1 2314490948 OYIJSZINEKGWEB-FQEVSTJZSA-N 484.590 7.305 50 10 JKGE N#CC(=Cc1ccc(-c2cccc(Cl)c2Cl)o1)c1nc(-c2cccc([N+](=O)[O-])c2)cs1 2314572384 ZSWVXPCIOCEUMU-UHFFFAOYSA-N 468.321 7.349 50 10 JKGE C=CCNC(=O)C(C#N)=C1S[C@@H](Cc2cccc(C(F)(F)F)c2)C(=O)N1c1ccc(C(C)C)cc1 2314592728 APJGRUXVYDCNLF-QFIPXVFZSA-N 499.558 5.557 50 10 JKGE COc1cccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)C=Cc4ccc(Cl)cc4)ccc32)c1OC 2314634522 DQIRKBPKBITGST-VWLOTQADSA-N 488.927 5.194 50 10 JKGE COC(=O)C(C#N)=Cc1cccc(OC(=O)COc2ccc(C(C)(C)c3ccccc3)cc2)c1 2314760611 QBXSZCWGDSJVJP-UHFFFAOYSA-N 455.510 5.077 50 10 JKGE Fc1c(Br)cc(Cl)c([C@@H](Br)c2csc(Cl)c2)c1Br 2315436164 KRSBLXVVGBSRRO-VIFPVBQESA-N 497.836 7.203 50 10 JKGE C[C@@]1([C@H](Br)c2sc(Cl)cc2I)CCCCC1(F)F 2316776588 DWSHZZMUBBNHHM-MNOVXSKESA-N 469.560 6.658 50 10 JKGE COCc1ccc([C@H](Br)c2cc(Br)ccc2OCc2ccccc2)s1 2319551190 QAOIILOJOBOADV-HXUWFJFHSA-N 482.237 6.720 50 10 JKGE CCOc1ccc(C=NNC(=O)Cc2cc(Cl)ccc2SCC)cc1Br 2323679800 BBJXRDUAGTWWJJ-UHFFFAOYSA-N 455.805 5.306 50 10 JKGE Cc1cc(=O)oc2cc(OCC(=O)NN=Cc3ccc(OCc4c(F)cccc4Cl)cc3)ccc12 2328804128 QKRPNKCSJQPEJB-UHFFFAOYSA-N 494.906 5.002 50 10 JKGE CCCCCCOc1ccc(C=C(C#N)c2nc(O)c3cc(OC)c(OC)cc3n2)cc1OC 2331042479 CRZFFDLNBPCPQE-UHFFFAOYSA-N 463.534 5.384 50 10 JKGE N#CC(=C(O)Cc1ccc(OCc2ccccc2)cc1)c1nc(-c2ccc3ccccc3c2)cs1 2331236772 BRAZNKWVNNXHMY-UHFFFAOYSA-N 474.585 7.578 50 10 JKGE CCOc1ccc(C=C(C(O)=C(C#N)c2nc(-c3ccc(CC)cc3)cs2)c2ccccc2)cc1 2331245718 MYUSRJZSWSFUTK-UHFFFAOYSA-N 478.617 7.805 50 10 JKGE COc1ccc(-c2csc(C(C#N)=C(O)[C@H]3CC(=O)N([C@H](C)c4ccccc4)C3)n2)cc1C 2331259324 PTYWFEIYAORJSR-XLIONFOSSA-N 459.571 5.530 50 10 JKGE CCCCc1ccc(N2C[C@H](C(O)=C(C#N)c3nc(-c4ccc(OC)cc4)cs3)CC2=O)cc1 2331273605 UBWXEVJFXDPXBJ-HXUWFJFHSA-N 473.598 6.007 50 10 JKGE C[C@@H](Oc1ccc(Cl)cc1Br)C(O)=C(C#N)c1nc(-c2ccc(Cl)cc2)cs1 2331299350 XKWRHZSHKNPUCB-LLVKDONJSA-N 496.213 7.140 50 10 JKGE N#CC(=C(O)COc1cc(Cl)ccc1Cl)c1nc(-c2cccc3ccccc23)cs1 2331339514 NOTLQUUIHBRVLA-UHFFFAOYSA-N 453.350 7.142 50 10 JKGE CCOc1ccc(C=C(C(O)=C(C#N)c2nc(-c3ccc(F)cc3)cs2)c2ccccc2)cc1 2331343551 BEQHOBXXOMOHMF-UHFFFAOYSA-N 468.553 7.381 50 10 JKGE Brc1ccc(OCc2ccccc2)c([C@@H](Br)c2ccc3sncc3c2)c1 2336073534 WWIJHHHFWWGCAP-NRFANRHFSA-N 489.232 7.122 50 10 JKGE CC12CC(C1)[C@@H]([C@@H](Br)c1cc(Br)c(Br)cc1F)CO2 2337678934 FHRWLYWFKZFZEI-ZBSVDTPKSA-N 456.975 5.602 50 10 JKGE Cc1cc(Br)c(F)c(Br)c1[C@H](Br)C[C@H]1CO[C@@H](C)C1 2339686175 KXAIWJKGZGMLGE-LPEHRKFASA-N 458.991 5.910 50 10 JKGE Brc1cccc(Br)c1CO[C@@H]1C[C@H](Br)C12CCCC2 2340607327 TZWKXVLXNRNMRU-UONOGXRCSA-N 453.012 5.824 50 10 JKGE C[C@@H]1CC2CC([C@H](Br)c3cc(Br)c(Br)cc3F)(C2)O1 2342312505 FOXBWUOMFWFDHW-MJHGYKOKSA-N 456.975 5.744 50 10 JKGE FC1(F)CC2(C1)C[C@@]2(CBr)Cc1cc(I)ccc1Cl 2352422314 STZTTYXOSSWHCP-GFCCVEGCSA-N 461.515 5.688 50 10 JKGE Cc1cc(I)c(Oc2nc3sccn3c2CBr)cc1Cl 2361711716 WVXGVCXEFZBDSB-UHFFFAOYSA-N 483.556 5.649 50 10 JKGE ClC[C@@H](Cc1ccc(Br)cc1)Cc1ccc(Cl)c(I)c1 2362378896 JQKWNHBDMOBABN-ZDUSSCGKSA-N 484.002 6.347 50 10 JKGE Cc1cc(Br)c([C@@H](Br)[C@@H]2C[C@H]3CCC[C@H]2CC3)cc1Br 2364132085 FOSVCQKGQXUCPL-JRATXPSKSA-N 465.067 7.172 50 10 JKGE Fc1ccc(CCl)c(OCc2ccc(I)c(Br)c2)c1F 2377290943 MADKLQRSZHTIGU-UHFFFAOYSA-N 473.482 5.650 50 10 JKGE Cc1cc(Br)c(C(C)C)cc1[C@H](Br)c1cc(Br)sc1C 2380945189 UJQXEQYQDUNEHD-INIZCTEOSA-N 481.091 7.498 50 10 JKGE Cc1c(Cl)cccc1NC(=O)c1ccc(OCC(=O)N/N=C/c2ccc(C(C)C)cc2)cc1 1916302 RHGISWISEICJKS-RWPZCVJISA-N 463.965 5.553 50 10 JKGE O=C(/C=C/c1ccc(Cl)c(C(F)(F)F)c1)NNC(=O)c1ccc(COc2ccccc2)o1 15683509 KSVRRRKXGGGAHX-YRNVUSSQSA-N 464.827 5.005 50 10 JKGE CCCCOc1ccc(-c2nn(-c3ccccc3)cc2/C=C(\C#N)C(=O)NC2CCCCC2)cc1 33775255 QTTKNDDYZIJTLD-FCDQGJHFSA-N 468.601 6.074 50 10 JKGE CCCOc1ccc(-c2nn(-c3ccccc3)cc2/C=C2/C(=O)N(CC)C(=O)C(C#N)=C2C)cc1C 38603096 QRQJMSAJGKDUFB-LFVJCYFKSA-N 480.568 5.249 50 10 JKGE Cc1ccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4oc5cc(C)c(C)cc5c4C)ccc32)cc1 38686976 CVDBPVAWOGVRKD-SANMLTNESA-N 464.521 6.104 50 10 JKGE O=C(NNC(=O)c1ccccc1Cl)c1ccc(-n2nc(C(F)(F)F)cc2-c2cccs2)cc1 39852362 IHESMABOVSTXCD-UHFFFAOYSA-N 490.894 5.348 50 10 JKGE Cc1cccc(C(=O)N/N=C2\CCCc3oc(C(=O)Nc4ccc(Oc5ccccc5)cc4)c(C)c32)c1 40811306 RQSCXSCJPVZDNE-WGPBWIAQSA-N 493.563 6.411 50 10 JKGE CCCCOc1ccc(/C=C(\C#N)C(=O)Nc2sc(C)c(-c3ccc(F)cc3)c2C(=O)OC)cc1 41013291 ASSJEIFHILARJI-HMMYKYKNSA-N 492.572 6.374 50 10 JKGE C/C(=N/NC(=O)CCCSc1nc2ccc([N+](=O)[O-])cc2s1)c1ccc2ccccc2c1 58991206 FVCVJLJCMLHOHG-MYYYXRDXSA-N 464.572 5.770 50 10 JKGE CC(C)(C)c1ccc(OCC(=O)N/N=C2\C(=O)N(Cc3ccccc3Cl)c3ccccc32)cc1 59148404 SHSUZHJECGOSRM-JVCXMKTPSA-N 475.976 5.084 50 10 JKGE CCOc1cc(Br)c(/C=C(\C#N)C(=O)Nc2cccc(C(F)(F)F)c2)cc1OC 59272323 DBKAGDCPVDDDCM-NTUHNPAUSA-N 469.257 5.421 50 10 JKGE COc1cc(/C=C(\C#N)C(=O)Nc2ccc(C)cc2)ccc1Oc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] 59432880 ZYHSIIDPGUUDPH-GZTJUZNOSA-N 474.429 5.158 50 10 JKGE CCc1nn(CC)c(COc2c(Br)cccc2CBr)c1Br 91342178 ULTOTOCBEYIRON-UHFFFAOYSA-N 481.026 5.464 50 10 JKGE Cc1c(Cl)cccc1NC(=O)/C(C#N)=C\c1ccc(OCc2cccc(C(F)(F)F)c2)cc1 98063456 UTOFUIUMCVXXFM-UNOMPAQXSA-N 470.878 6.792 50 10 JKGE Fc1cccc(Cl)c1C[C@@H](Br)c1cc(Br)ccc1Br 109844740 JAVRTVUHIZUWHL-GFCCVEGCSA-N 471.389 6.683 50 10 JKGE COc1cc(C)c(Br)cc1[C@H](Br)c1ccc(I)cc1 115070421 WAGTWHCNMJVEFE-OAHLLOKOSA-N 495.980 5.855 50 10 JKGE BrCC(CBr)(CCc1cccs1)c1ccc(Br)cc1 118671807 ZHFXGVZEVMSJHH-UHFFFAOYSA-N 467.064 6.171 50 10 JKGE Cc1cc([C@@H](Br)c2cc(Br)c(Br)s2)ccc1Cl 138409345 ADTQVHIFBNYHCY-LLVKDONJSA-N 459.428 6.719 50 10 JKGE COc1cc(Cl)c([C@@H](Br)c2ccc(Br)c(Cl)c2)cc1Cl 164550818 UKQUIISTGKSQDM-AWEZNQCLSA-N 459.392 6.902 50 10 JKGE CC(C)(C)[Si](C)(C)OC[C@H]1OC(=O)[C@H](O[Si](C)(C)C(C)(C)C)[C@@H]1O[Si](C)(C)C(C)(C)C 196841926 LDGCUJIXTRHIDG-GUDVDZBRSA-N 490.906 6.714 50 10 JKGE N#C/C(=C/Nc1ccccc1Br)C(=O)Nc1ccccc1Sc1ccccc1 217243888 NSGAJNFZMRLALZ-NXVVXOECSA-N 450.361 6.058 50 10 JKGE FC(F)(F)c1cc(CBr)ccc1Oc1cccc(I)c1 218204002 HSGKHGPQSNXHKP-UHFFFAOYSA-N 457.027 5.997 50 10 JKGE CCOc1ccc(Br)cc1[C@@H](Br)c1csc(Br)c1 233779324 MBOOYNVUVPPMHU-ZDUSSCGKSA-N 455.009 6.156 50 10 JKGE COc1ccc(OC)c([C@H](Br)c2ccc(Br)cc2Br)c1 234980089 NFBUWYBSHMOTOR-OAHLLOKOSA-N 464.979 5.713 50 10 JKGE COCc1cc(C=NNC(=O)c2cc(-c3ccc(C(C)C)cc3)nc3ccccc23)ccc1OC 252628324 SNSNGLXQECEBHV-UHFFFAOYSA-N 467.569 5.944 50 10 JKGE COc1cc(C=NNC(=O)COc2ccc(OCc3ccccc3)cc2)ccc1OCc1ccccc1 254555328 JIGSOGVUJOGBOR-UHFFFAOYSA-N 496.563 5.382 50 10 JKGE CCCCCCCCCCCCCCCCCC[Si](C)(O[Si](C)(C)C)O[Si](C)(C)C 256496966 YAIHETNVSHUZMY-UHFFFAOYSA-N 474.995 10.023 50 10 JKGE C[C@@H]1CCC[C@H](CC(CBr)(CBr)c2ccccc2Br)C1 312525563 JCEQALNOCISPBT-KGLIPLIRSA-N 467.083 6.693 50 10 JKGE C[C@@H](Cl)c1nc2cc(F)c(Br)cc2n1CC[C@@H](C)N(C)Cc1ccccc1 379605442 IPLZICITERYMSC-HUUCEWRRSA-N 452.799 6.148 50 10 JKGE Clc1ccc(Br)c(C[C@@H](CBr)Cc2ccccc2Br)c1 380803440 YUUKSHHURIEBFV-NSHDSACASA-N 481.453 6.661 50 10 JKGE C[C@@H](Cl)c1nc2cc(I)ccc2n1CC1CCN(Cc2ccccc2)CC1 397555782 LTXZCNHXNWUZSB-MRXNPFEDSA-N 493.820 5.853 50 10 JKGE FC1(F)CCC[C@@H]1CC(CBr)(CBr)c1ccccc1Br 400641280 SEPNMQBHHZBOSF-LLVKDONJSA-N 475.009 6.302 50 10 JKGE CC(C)(C)[Si](C)(C)OCCN1CCC[C@@H](c2cccc(CO[Si](C)(C)C(C)(C)C)c2)CC1 616626626 BEUFHRUZLBDTEB-XMMPIXPASA-N 477.882 7.800 50 10 JKGE Fc1cc(Br)cc(CC(CBr)(CBr)C2CCOCC2)c1 699948508 YCSXGIFRDKPAHS-UHFFFAOYSA-N 473.018 5.334 50 10 JKGE BrCc1cc(Br)c(OCCOC2CCCC2)c(Br)c1 701339594 ZPHXMCZTKWZCHW-UHFFFAOYSA-N 457.000 5.445 50 10 JKGE Cc1cc(F)cc(C)c1[C@H](Br)c1scc(Br)c1Br 705428668 VICAXGNCQXZCBP-LBPRGKRZSA-N 457.000 6.513 50 10 JKGE Fc1ccc(Br)c(F)c1COc1cccc(Br)c1CBr 706861372 SDMDOIOQQMGHOE-UHFFFAOYSA-N 470.933 5.964 50 10 JKGE Brc1cc(Br)cc([C@H](Br)c2ccc(C3CC3)s2)c1 707926913 YLUJUWPDCSCCGJ-AWEZNQCLSA-N 451.021 6.635 50 10 JKGE C[C@@H]1Cc2cc(Br)cc([C@H](Br)c3cccc(Br)c3)c2O1 720052738 OOJBSOMDRJRSAD-RFAUZJTJSA-N 460.991 6.019 50 10 JKGE Cc1cc([C@H](Cl)c2ccc(I)c(Br)c2)c(F)cc1F 721604350 OMYPBVOCHRXPDI-CQSZACIVSA-N 457.483 5.969 50 10 JKGE Cc1cc(C)c(C)c([C@H](Cl)c2ccc(I)c(Br)c2)c1C 721606784 ARJRQYRKDYGSFV-QGZVFWFLSA-N 463.584 6.616 50 10 JKGE O=C(CSc1nc2ccccc2[nH]1)NN=Cc1cccc(OCc2cccc3ccccc23)c1 725444535 CFSBQWZQEHZAQT-UHFFFAOYSA-N 466.566 5.538 50 10 JKGE N#C/C(=C\c1ccc(-c2cc([N+](=O)[O-])c(Cl)cc2Cl)o1)C(=O)N1CCN(c2ccccc2)CC1 1084229163 GTPVGUNFCAEWPC-FOWTUZBSSA-N 497.338 5.417 50 10 JKGE CC(C)Cc1ccc([C@H](C)C(=O)NN=Cc2cc(Br)cc(Br)c2O)cc1 1084243257 WFAXSAUVGIZTER-ZDUSSCGKSA-N 482.216 5.370 50 10 JKGE O=C(NN=Cc1c(F)cccc1Cl)c1ccc([C@H]2SCC(=O)N2Cc2ccccc2)cc1 1084478598 VOZHOZUHUPBNKH-XMMPIXPASA-N 467.953 5.017 50 10 JKGE CC(C)(C)c1ccc(C(=O)Nc2ccc(C(=O)NN=Cc3cc([N+](=O)[O-])ccc3Cl)cc2)cc1 1084480685 DNBVTDGNMCEATH-UHFFFAOYSA-N 478.936 5.562 50 10 JKGE COc1cc(C=NNC(=O)COc2cc(Cl)ccc2Cl)ccc1OCc1ccccc1C 1772754480 WMGPMFIDUSLQAX-UHFFFAOYSA-N 473.356 5.419 50 10 JKGE N#CC1=C(N)Oc2c(c(-c3ccccc3)nn2-c2cccc(Cl)c2)[C@H]1c1c(Cl)cccc1Cl 1865685195 FMMKTCZNGMBXGH-HXUWFJFHSA-N 493.781 6.718 50 10 JKGE COc1ccc(-c2nn(Cc3cccc(Cl)c3)c3c2[C@H](c2ccc(C)cc2)C(C#N)=C(N)O3)cc1 1865686741 ZGWNZDXEYRCYKO-XMMPIXPASA-N 482.971 5.787 50 10 JKGE CCn1nc(-c2ccccc2)c2c1OC(N)=C(C#N)[C@H]2c1ccc(OCc2ccc(C)cc2)cc1 1865694258 WGGSOYZFKMQNBF-RUZDIDTESA-N 462.553 5.676 50 10 JKGE N#CSc1ccc(NC(=O)[C@@H](Cc2ccc(F)cc2)NC(=O)c2cccc(-n3cccc3)c2)cc1 1866613484 AYKGUZOXAGUJSG-RUZDIDTESA-N 484.556 5.169 50 10 JKGE Cc1ccc([C@@H](C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)Nc2ccc(SC#N)cc2)C(C)C)cc1 1866952856 ZKLALEMDPPSYNA-UIOOFZCWSA-N 487.625 5.380 50 10 JKGE CCCc1nc(Nc2ccc(SC#N)cc2)cc(N2Cc3cc(OC)c(OC)cc3C(C)(C)C2)n1 1868387914 CBXSELXTNSFTEY-UHFFFAOYSA-N 489.645 6.061 50 10 JKGE N#CSc1ccc(Nc2cc(N3CCC[C@@H](Oc4ccccc4)C3)nc(-c3cccnc3)n2)cc1 1868565845 OKTJOKRJTRFEGY-HSZRJFAPSA-N 480.597 5.903 50 10 JKGE CCCc1ccc(OC/C(O)=C(\C#N)c2nc(-c3ccc(Oc4ccccc4)cc3)cs2)cc1 1872753527 BFWJYMXMFZWUCA-RFBIWTDZSA-N 468.578 7.427 50 10 JKGE Clc1cc(I)c([C@@H](Cl)c2scc(Br)c2Cl)s1 1900918339 FHQBTXMUQVDMLD-SSDOTTSWSA-N 488.424 6.812 50 10 JKGE C[C@@H](CBr)N(Cc1ccccc1)c1ncc(Br)cc1Br 1914346862 BORSLKBVXKHWRQ-NSHDSACASA-N 463.011 5.397 50 10 JKGE CC(C)[C@H](CBr)N(Cc1ccccc1)c1ccc(S(=O)(=O)C(F)(F)F)cc1 1915323785 UFSLPOYSIPHHOH-SFHVURJKSA-N 464.347 5.406 50 10 JKGE COc1cccc(Br)c1C(=O)N(Cc1ccccc1)C1(CBr)CCC1 1915765609 MSHJBBLEEZWQMP-UHFFFAOYSA-N 467.201 5.418 50 10 JKGE Fc1cc([C@@H](Br)c2sc(Br)cc2Br)c(F)cc1Cl 1922944993 BNMLTZKZVKXTLZ-SNVBAGLBSA-N 481.381 6.689 50 10 JKGE Cc1ccc(F)cc1[C@H](Br)c1c(Br)sc(Br)c1Cl 1923037934 HAFYWVDQHDYPIU-VIFPVBQESA-N 477.418 6.858 50 10 JKGE CSc1ccc([C@@H](Br)c2c(Br)sc(Br)c2Cl)cc1 1923055001 NCZIFDNDOWBITH-SECBINFHSA-N 491.495 7.133 50 10 JKGE Brc1sc(Br)c([C@H](Br)C2CCC2)c1Br 1924577098 XBKVQUPTGJKWBD-ZCFIWIBFSA-N 467.846 6.272 50 10 JKGE Brc1sc(Br)c([C@@H](Br)[C@@H]2C[C@@H]3C[C@@H]3C2)c1Br 1924612685 NLXGUWONWRMNAU-FJDLHZNMSA-N 493.884 6.518 50 10 JKGE CC1(C)C[C@@H]([C@@H](Br)c2c(Cl)sc(Br)c2Cl)C(C)(C)O1 1925560347 GFZZORFKHGGQAU-POYBYMJQSA-N 451.051 6.847 50 10 JKGE C[C@@H](CCBr)N(Cc1ccccc1)C(=O)c1c(Cl)cccc1Br 1980599472 HWMXNKZTCLOTBG-ZDUSSCGKSA-N 459.609 5.918 50 10 JKGE C[C@@H](CCCCCI)NC(=O)c1cscc1OCc1ccccc1 2006112728 KPIXFQQMQGEPNH-HNNXBMFYSA-N 457.377 5.441 50 10 JKGE Cc1cc(Br)c([C@@H](Br)c2ccc(I)c(C)c2)s1 2026131990 BVYPKCHZLVVQQN-LBPRGKRZSA-N 486.010 6.216 50 10 JKGE N#CC(=C(Cl)c1ccc(I)c(Br)c1)c1cncs1 2035106780 VARNLROWQIFRTQ-UHFFFAOYSA-N 451.514 5.141 50 10 JKGE Cc1c(Br)sc([C@@H](Br)C(F)(F)[C@@H]2CCOC2)c1Br 2065535804 KBXKHFZDZPKETI-HZGVNTEJSA-N 468.983 5.689 50 10 JKGE O=S(=O)(c1ccc(Br)c(CCl)c1)N(Cc1ccccc1)C1CCCCC1 2095890707 TVPGERJPVYBWBB-UHFFFAOYSA-N 456.833 5.712 50 10 JKGE Cc1c(Br)sc([C@H](Br)[C@H]2CCn3nccc3C2)c1Br 2108965476 LHVLJAUXBVHACK-GZMMTYOYSA-N 469.040 5.477 50 10 JKGE CC(C)CO[C@H](C)COc1c(Br)cc(Br)cc1CBr 2109218685 FDCQQOZOIXQOKU-SNVBAGLBSA-N 459.016 5.546 50 10 JKGE Fc1ccc(I)cc1[C@@H](Br)c1ccc(CC2CC2)s1 2113350678 HBVIIXNKMYLAQF-OAHLLOKOSA-N 451.142 5.929 50 10 JKGE Clc1ccc(CC[C@@H](Br)c2ccccc2Br)cc1Br 2113449354 JYORWJRHABOJPM-CYBMUJFWSA-N 467.426 6.934 50 10 JKGE Fc1cc(Br)cc(N2CC[C@@H]3CN(Cc4ccccc4)C[C@@H]3C2)c1CBr 2114266645 VSWXNRAWVBIHFI-IAGOWNOFSA-N 482.235 5.441 50 10 JKGE CN(Cc1cc(Cl)ccc1I)C1(CBr)CCSCC1 2114718995 MKJJTWQUHDBTOX-UHFFFAOYSA-N 474.633 5.037 50 10 JKGE Cc1cc(Br)c([C@@H](Br)[C@@H]2CCCCC23CC3)cc1Br 2116986184 DMWXDGDAPGFRPK-SWLSCSKDSA-N 451.040 6.926 50 10 JKGE C[C@H](CBr)[C@H]1CCCCN1Cc1cc(Br)ccc1Br 2118518872 DFQWYDYWQISITG-IAQYHMDHSA-N 454.044 5.597 50 10 JKGE COC[C@@H]1CC[C@@H](Cc2c(Br)cccc2Br)C[C@H]1Br 2127210602 NMXZYLUBPXUORF-ZIBATOQPSA-N 455.028 5.580 50 10 JKGE CC(C)(C)[C@H]1[C@H](Br)CCN1C(=O)c1cc(Br)sc1Br 2128677166 BBGMYVQRUHALIF-PSASIEDQSA-N 474.056 5.297 50 10 JKGE COc1cc(F)c(Br)cc1[C@H](Cl)Cc1ccccc1I 2143867340 AUKTVFHUVSFSFU-GFCCVEGCSA-N 469.519 5.724 50 10 JKGE COCCCCN(Cc1ccccc1)S(=O)(=O)c1cc(CCl)cc(C)c1Br 2152211374 LLBKTGHSYSVHEY-UHFFFAOYSA-N 474.848 5.114 50 10 JKGE Cc1c(Br)sc([C@@H](Br)[C@H]2CC3(CCCCC3)CO2)c1Br 2166260753 LGLZAHFAJRSDMC-PWSUYJOCSA-N 487.095 6.757 50 10 JKGE C[C@@H]1C[C@H](n2c(CCCl)nc3cc(Cl)c(Br)cc32)CN1Cc1ccccc1 2169008535 WGMXKROAHOEKJG-ZBFHGGJFSA-N 467.238 6.069 50 10 JKGE CCCOc1ccc(S(=O)(=O)N(Cc2ccccc2)[C@H](C)CC)cc1CBr 2179826463 SGHICMXVLPGJFV-QGZVFWFLSA-N 454.430 5.360 50 10 JKGE Brc1ccc([C@@H](Br)[C@H]2CCCc3ccccc32)c(Br)c1 2203686027 MENZVWNFOSOMSA-YOEHRIQHSA-N 459.019 6.768 50 10 JKGE CCC[C@@H]1CN(C(=O)c2cccc(Br)c2Br)C[C@H]1CBr 2205683247 MWMBSTFUZMHMHS-GHMZBOCLSA-N 468.027 5.095 50 10 JKGE COCC12CC([C@H](Br)c3ccc(Br)c(C)c3Br)(CO1)C2 2206073721 KQODWVZVODYGDC-WLYUNCDWSA-N 469.011 5.152 50 10 JKGE COc1cc(F)c(Cl)cc1[C@H](Br)Cc1ccccc1I 2207359380 GULQFUITNGBWCO-LLVKDONJSA-N 469.519 5.771 50 10 JKGE Cc1ccc([C@@H](Br)c2ccc(Br)s2)cc1I 2210198669 DFGMPVIPGKSJIY-GFCCVEGCSA-N 471.983 5.908 50 10 JKGE Cc1ccc(C(=O)N(Cc2ccccc2)[C@@H](CBr)C2CC2)cc1I 2212991340 WLSCQPYSRLIZEH-IBGZPJMESA-N 498.202 5.416 50 10 JKGE Cc1ccc([C@H](Br)c2sc(C)c(Br)c2C)c(C)c1Br 2226074875 BCBYYQFRGMCRMJ-AWEZNQCLSA-N 467.064 6.991 50 10 JKGE CC(C)(C)OC(=O)N1CCC(CI)(O[C@@H]2CCCC[C@@H]2C(F)(F)F)CC1 2231391694 SWFLTVOQKKTGEQ-UONOGXRCSA-N 491.332 5.329 50 10 JKGE Clc1cc(Br)c([C@H](Br)[C@@H]2OC[C@H]3CCC[C@@H]32)c(Cl)c1Cl 2233182951 HUNSTURSWXEQMN-IUFNDMJLSA-N 463.424 6.660 50 10 JKGE Cc1cc(Br)c(Cn2c(CCl)nc3cc(I)ccc32)s1 2237666198 FRPXBQFRBCHRCB-UHFFFAOYSA-N 481.584 5.560 50 10 JKGE Cc1cc(Cl)c(Br)cc1[C@H](Br)Cc1cc(Cl)cc(Cl)c1 2240911779 WLKQGMNMHOOZPL-CYBMUJFWSA-N 457.420 7.396 50 10 JKGE CO[C@@H]1CCC[C@@H]([C@@H](Br)Cc2cc(Br)cc(Br)c2)C1 2277951960 BVHWFSIJWRDHPC-DFBGVHRSSA-N 455.028 5.723 50 10 JKGE COc1cccc([C@H](Br)c2cc(Br)c(C)cc2Br)c1Cl 2283559633 MQRVFXNVUCFOPW-AWEZNQCLSA-N 483.425 6.666 50 10 JKGE COc1c([C@@H](Cl)c2c(Br)cc(C)c(Br)c2C)csc1Cl 2284303606 HJKNJKIZMYHGIY-GFCCVEGCSA-N 459.030 6.880 50 10 JKGE Cc1cc(Br)c(C)c([C@H](Br)[C@H]2C[C@H](S(C)(=O)=O)C2)c1Br 2285276703 XWOIQNUWLREOHS-GPCCPHFNSA-N 489.067 5.088 50 10 JKGE Fc1cc(Br)c(F)c(Br)c1[C@H](Br)[C@@H]1[C@H]2CCCCC[C@H]21 2288351874 DVEHMOOQOAULLG-AOOGTALZSA-N 472.993 6.752 50 10 JKGE COc1c(Br)cc(Cl)c(C)c1[C@H](Cl)c1cccc(OCc2ccccc2)c1 2295283139 KABHDKROPUJBSJ-OAQYLSRUSA-N 466.202 7.327 50 10 JKGE N#CC(=Cc1cn(Cc2ccccc2)nc1-c1ccccc1)C(=O)Nc1cc(Cl)ccc1Cl 2295360276 IQBLWIHTVJVZLN-UHFFFAOYSA-N 473.363 6.451 50 10 JKGE CCCNC(=O)C(C#N)=Cc1ccc(OC)c(CSc2nc(C(F)(F)F)cc(C)c2C#N)c1 2295672611 ADTKCDKNPHMXPP-UHFFFAOYSA-N 474.508 5.015 50 10 JKGE Cc1ccc(C[C@@H]2SC(=C(C#N)C(=O)Nc3cccc(C)c3)N(c3ccccc3)C2=O)cc1 2296559576 STIFKEYWQFARPY-DEOSSOPVSA-N 453.567 5.368 50 10 JKGE O=C(CNc1c(Br)cc(Cl)cc1Br)NN=CC=Cc1ccccc1 2296734201 XDIBRGDPQDUSFX-UHFFFAOYSA-N 471.580 5.092 50 10 JKGE COc1ccc2nc(Cl)c(C=C(C#N)c3nc(-c4ccc(Br)cc4)cs3)cc2c1 2297315686 JKVZUKGQKPHKMR-UHFFFAOYSA-N 482.790 6.847 50 10 JKGE N#CC(=Cc1cccc(NC(=O)c2ccccc2Cl)c1)C(=O)Nc1ccccc1Oc1ccccc1 2297381906 UZOYMLGJAMWICX-UHFFFAOYSA-N 493.950 6.930 50 10 JKGE CCOC(=O)c1sc(NC=C(C#N)c2nc(-c3cccc(OC)c3)cs2)c(C(=O)OCC)c1C 2297510306 WJKCYSRXOCWHLQ-UHFFFAOYSA-N 497.598 5.519 50 10 JKGE Brc1ccc(OCc2ccccc2)c([C@@H](Br)C[C@H]2CC[C@@H]3C[C@H]23)c1 2299531485 WNGKYMSEXDDVNQ-HBXLWWENSA-N 450.214 6.900 50 10 JKGE COc1cc(CN(Cc2ccccc2)[C@H](CBr)C2CC2)c(Br)cn1 2300090531 XSDRJANBNUNLCG-GOSISDBHSA-N 454.206 5.028 50 10 JKGE Cn1cnc(Br)c1[C@@H](Cl)c1c(Br)sc(Br)c1Cl 2300266723 BCSAGVGALSIXBH-BYPYZUCNSA-N 483.838 5.751 50 10 JKGE CCOc1ccc(NC(=O)C(C#N)=Cc2ccc(OCc3ccc(F)cc3)c(OCC)c2)cc1 2313671197 POHBALMBSLIBKR-UHFFFAOYSA-N 460.505 5.748 50 10 JKGE CCOc1cc(C=C(C#N)C(=O)Nc2cccc(C(F)(F)F)c2)ccc1OCc1cccc(F)c1 2313730326 PQFYLCRSJBGDBC-UHFFFAOYSA-N 484.449 6.368 50 10 JKGE Cc1ccc(Br)c([C@@H](Cl)c2ccc(OCc3ccccc3)cc2Br)c1 2314451480 FRJNHDMXAQGLLW-NRFANRHFSA-N 480.627 7.427 50 10 JKGE CCCCOc1ccc(-c2nn(-c3ccccc3)cc2C=C2C(=O)N(CC)C(=O)C(C#N)=C2C)cc1F 2314617726 XCNOBLAOOYMMJP-UHFFFAOYSA-N 498.558 5.469 50 10 JKGE COc1ccccc1[C@H]1C(C#N)=C(N)Oc2cc(OC(=O)C=Cc3ccc(Cl)cc3Cl)ccc21 2314634207 CEBQWSVYUOBXHM-RUZDIDTESA-N 493.346 5.839 50 10 JKGE CCCCNC(=O)C(C#N)=Cc1ccc(OC(=O)CCCOc2ccc(C(C)(C)C)cc2)cc1 2314785821 QDZPNFUQIMJGOR-UHFFFAOYSA-N 462.590 5.572 50 10 JKGE Clc1cc(I)c([C@H](Br)[C@H]2C[C@@H]2C2CCOCC2)s1 2316596786 JFTNKLYKADFOOM-VDDIYKPWSA-N 461.590 5.505 50 10 JKGE CCOc1cc(C=NNC(=O)c2ccc(N)cc2)ccc1OCc1ccc(Cl)c(Cl)c1 2323310570 LEYNRLSKSCAGOV-UHFFFAOYSA-N 458.345 5.317 50 10 JKGE CCc1ccc(-c2csc(C(C#N)=C(O)c3ccc(N4CCOCC4)c([N+](=O)[O-])c3)n2)cc1 2331245944 KUAZODJSZPGMLK-UHFFFAOYSA-N 462.531 5.067 50 10 JKGE N#CC(=C(O)c1ccc(N2C(=O)c3ccccc3C2=O)cc1)c1nc(-c2ccccc2Cl)cs1 2331266098 YEYAQEFYYZNZAD-UHFFFAOYSA-N 483.936 6.214 50 10 JKGE COc1ccc(Cl)cc1-c1csc(C(C#N)=C(O)[C@H]2CC(=O)N(Cc3ccccc3)C2)n1 2331410765 AGKMQSBSIKWTNA-INIZCTEOSA-N 465.962 5.313 50 10 JKGE COc1ccc(-c2csc(C(C#N)=C(O)CCCOc3ccccc3)n2)c(OC)c1OC 2331412736 CFNVWOYBNNNVKA-UHFFFAOYSA-N 452.532 5.488 50 10 JKGE Fc1cc(Cl)c(Br)c(Cl)c1[C@@H](Cl)c1cc(Br)c(Cl)s1 2335356000 MDPVMKLSTGMJAB-VIFPVBQESA-N 487.830 7.701 50 10 JKGE CC1(C)C[C@H]1CC[C@@H](Br)c1c(Cl)cc(Br)c(F)c1Br 2337082005 GJWQQQWUBAKGHK-HTQZYQBOSA-N 477.437 7.266 50 10 JKGE COc1c(Br)cc(Cl)c(C)c1[C@@H](Br)c1cnsc1Br 2337335494 AEBHJJGMWXFVNZ-JTQLQIEISA-N 490.442 6.123 50 10 JKGE CC(C)c1cc(Br)cc([C@@H](Cl)c2sc(Cl)cc2I)c1 2338559320 VYWHNTXTFOANGX-CYBMUJFWSA-N 490.031 7.220 50 10 JKGE Brc1cc(OCc2ccccc2)ccc1[C@@H](Br)[C@@H]1COC2(CCC2)CO1 2338790019 JUPLRDOUYZBVOB-VQTJNVASSA-N 482.212 5.802 50 10 JKGE COc1c(Br)cc(C)c([C@@H](Br)c2ccc(Cl)o2)c1Br 2339651047 LPBCHZJFUZMGGW-NSHDSACASA-N 473.386 6.259 50 10 JKGE Cc1cc(Br)c(F)c(Br)c1[C@H](Br)[C@H](C)[C@H]1CCCO1 2339679716 OGEGCAQTWZLZIQ-HLUHBDAQSA-N 458.991 5.910 50 10 JKGE Clc1ccc(C[C@H]2C[C@@H](Br)CC3(CCC3)C2)c(I)c1 2341027571 LRDNRWQMTOKEPC-WCQYABFASA-N 453.589 6.221 50 10 JKGE CC(C)c1cccc([C@H](Br)c2cc(Br)ccc2OCc2ccccc2)c1 2343655259 SHTYLMHCTYKCCT-QHCPKHFHSA-N 474.236 7.636 50 10 JKGE CC1([C@H](Cl)c2cc(Br)ccc2OCc2ccccc2)CC2(CC(F)(F)C2)C1 2361177494 XRPFKLDSVNZFCQ-LJQANCHMSA-N 455.770 7.524 50 10 JKGE O=[N+]([O-])c1sc(CBr)cc1OCc1cc(Br)cc(Br)c1 2362213895 JSTCHYZXRPATKK-UHFFFAOYSA-N 485.979 5.655 50 10 JKGE Fc1c(Br)cc(Cl)c([C@H](Cl)C2CCC(F)(F)CC2)c1Br 2362224998 SQLAFCOXOUNVLR-LLVKDONJSA-N 454.939 7.110 50 10 JKGE Cc1cc([C@H](Br)c2c(C)cc(Br)c(F)c2Br)ccc1Cl 2365187031 WPDREFRLGMOYIK-ZDUSSCGKSA-N 485.416 7.105 50 10 JKGE Cc1ccc([C@H](CBr)OCc2c(Br)cccc2Br)cc1 2366145424 SAZVWZONPOVCNC-INIZCTEOSA-N 463.007 6.173 50 10 JKGE COc1sc([C@H](Br)CCc2cc(Cl)cc(Cl)c2)cc1Br 2366793850 JICLSPDYMNOBDZ-LLVKDONJSA-N 459.030 6.895 50 10 JKGE Cn1nc([C@H](Br)CCc2cc(Cl)cc(Cl)c2)c(Br)c1Cl 2366899147 QYZLSKLZLKSCKH-SNVBAGLBSA-N 461.412 6.212 50 10 JKGE Clc1ccc(I)cc1COCC1(CBr)CCCCCC1 2380373288 HNKNJSCMTWVWHG-UHFFFAOYSA-N 471.604 6.197 50 10 JKGE Clc1ccc(I)cc1CN1C[C@H]2CC(CBr)C[C@@H](C2)C1 2380515283 ODVPRVSNJIKLSO-STQMWFEESA-N 468.604 5.188 50 10 JKGE COc1ccc(C[C@@H]2S/C(=C(\C#N)C(=O)Nc3ccccc3)N(c3ccccc3C)C2=O)cc1 2370828 YZWKCTZVEYVZMG-ABPPERTMSA-N 469.566 5.069 50 10 JKGE O=C(NC1CCCCC1)[C@@H](c1ccc(F)cc1)N(CCc1ccccc1Cl)C(=O)CCl 3038346 RTODFYNQFHDALX-HSZRJFAPSA-N 465.396 5.279 50 10 JKGE O=C(NCCCl)Nc1ccc(SSc2ccc(NC(=O)NCCCl)cc2)cc1 4974684 RVBSRFWGYCMGCR-UHFFFAOYSA-N 459.424 5.207 50 10 JKGE COc1cc(/C=C(/C#N)c2cccc(Cl)c2)ccc1OC(=O)c1cc2ccccc2oc1=O 31902414 QCSODGVQUSMBHY-ODLFYWEKSA-N 457.869 5.738 50 10 JKGE N#Cc1ccccc1COc1c(Cl)cc(/C=N/NC(=O)c2cc3ccccc3o2)cc1Cl 33714127 UWWBBWPVTJMJGC-XODNFHPESA-N 464.308 5.954 50 10 JKGE N#CC1=C(N)Oc2cc(OC(=O)COc3ccccc3)ccc2[C@@H]1c1ccc(Cl)cc1Cl 38655194 PGDXIFBWHMPCGI-QHCPKHFHSA-N 467.308 5.196 50 10 JKGE Cc1ccc2c(C)c(C(=O)Oc3ccc4c(c3)OC(N)=C(C#N)[C@H]4c3cccc(Cl)c3)oc2c1C 38687728 ZZGDTDRSULPFAE-DEOSSOPVSA-N 484.939 6.449 50 10 JKGE Cc1cc2oc(C(=O)Oc3ccc4c(c3)OC(N)=C(C#N)[C@H]4c3ccccc3F)c(C)c2cc1Cl 38687985 OGECMANAHOATLR-DEOSSOPVSA-N 488.902 6.280 50 10 JKGE Cc1ccc2c(Cl)c(C(=O)Oc3ccc4c(c3)OC(N)=C(C#N)[C@H]4c3cccs3)sc2c1 38688359 SFSCSEHJRYKRFS-FQEVSTJZSA-N 478.982 6.362 50 10 JKGE C=CCOc1cccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4oc5ccc(F)cc5c4C)ccc32)c1 38701095 WDNBEJYVWKRCSE-AREMUKBSSA-N 496.494 5.883 50 10 JKGE CCOc1ccc(NC(=O)/C(C#N)=C/c2ccc(-c3ccc(Br)c(C)c3C)o2)cc1 58832576 AGZDXHAUYDVWQF-GHRIWEEISA-N 465.347 6.270 50 10 JKGE COc1cc(/C=N/NC(=O)c2cc3ccccc3o2)cc(Cl)c1OCc1cccc([N+](=O)[O-])c1 59305232 SHPJVLUHBNMGNY-LGJNPRDNSA-N 479.876 5.346 50 10 JKGE CCCCCCCCCCCCCCCCCCNC(=O)N[C@H]1CS(=O)(=O)C[C@@H]1Cl 59568208 ZPUGZYLCTRFYAS-VXKWHMMOSA-N 465.144 5.952 50 10 JKGE O=C(N/N=C/c1ccc(Sc2ccc(Cl)cc2)o1)Nc1ccc(Br)cc1 59598190 DRIPLIYNJBEYKH-SRZZPIQSSA-N 450.745 6.002 50 10 JKGE Cc1ccccc1CS/C(Nc1cc(Cl)ccc1C)=C(/C#N)S(=O)(=O)c1ccccc1 96482146 GFQADCBJOQTBMB-VHXPQNKSSA-N 469.031 6.469 50 10 JKGE Cc1cc(/C=C(\C#N)C(=O)NC2CCCCC2)c(C)n1-c1ccc(C23CC4CC(CC(C4)C2)C3)cc1 96584985 ORZACLLWRUWVBE-JVWAILMASA-N 481.684 6.918 50 10 JKGE COc1cc(Br)c([C@H](Br)c2cc(Cl)cc(Cl)c2)cc1OC 109860407 UDIBWNKRBKNNBJ-OAHLLOKOSA-N 454.973 6.257 50 10 JKGE BrC[C@H](Cc1ccc(I)cc1)c1cccc(Br)c1 118661313 CJPXTRWMZPEJNH-ZDUSSCGKSA-N 479.981 5.775 50 10 JKGE Cc1cc([C@@H](Br)c2cc(Br)sc2Br)ccc1Cl 138392475 BMVKSKNGFFFKLJ-LLVKDONJSA-N 459.428 6.719 50 10 JKGE CC1(C)C[C@@H](NC(=O)NCCc2c[nH]c3cc(OCc4ccccc4)ccc23)C[C@](C)(CN=C=O)C1 170291089 FRJLOUGTXPQCNA-BTYSJIOQSA-N 488.632 5.509 50 10 JKGE Cc1cc(C)c(NC(=O)/C(C#N)=C\N2CCN(C(c3ccccc3)c3ccccc3)CC2)c(C)c1 217221528 MNYUCTMNGGPISR-MEFGMAGPSA-N 464.613 5.365 50 10 JKGE CC(C)(C)OC(=O)N1CCC(N/C=C(/C#N)C(=O)NC2CCCCCCCCCCC2)CC1 217260224 DWMSKDTZXRYQBX-MRCUWXFGSA-N 460.663 5.172 50 10 JKGE CCCc1ccc([C@H](Br)c2cc(I)ccc2Br)cc1 233409794 PUSBTYKVFQVKOT-INIZCTEOSA-N 494.008 6.491 50 10 JKGE O=C(NN=Cc1cc(Br)ccc1O)c1[nH]c(-c2ccccc2)cc1-c1ccccc1 252462269 RDXXIHOGQGDUCF-UHFFFAOYSA-N 460.331 5.581 50 10 JKGE CC(C)[C@H]1CC[C@@H](C)C[C@H]1O[C@H](CI)c1cccc(Br)c1 253122427 JFYOHGQBINEJOZ-BNEJOLLZSA-N 465.213 6.403 50 10 JKGE CCCCCCCCCCCC(=O)NCC(=O)NN=Cc1ccc(OC(=O)c2cccs2)cc1 254871873 FITMEGACXGFPRS-UHFFFAOYSA-N 485.650 5.455 50 10 JKGE COc1cc(C=NNC(=O)COc2c(C)cccc2C)ccc1OCc1ccc(Cl)cc1 256017238 VGQDHQZEZMVUQP-UHFFFAOYSA-N 452.938 5.074 50 10 JKGE C[C@@H]1CC[C@H](Oc2c(Br)cc(CBr)cc2Br)C[C@H]1C 300443132 YUUROVYHVWOBPX-FOGDFJRCSA-N 455.028 6.310 50 10 JKGE Cc1cc(C)c([C@@H](Br)c2ccc(F)cc2Br)c(C)c1Br 312837716 UUPONBZBZDMSJX-INIZCTEOSA-N 464.998 6.760 50 10 JKGE Fc1cccc(Br)c1[C@H]1CN(Cc2ccccc2)C[C@H]1CI 382687070 GOUJNGPCKZINFH-CABCVRRESA-N 474.155 5.239 50 10 JKGE O=C(OCc1ccccc1)N1C[C@@H](CI)[C@H](c2ccc(Cl)s2)C1 394734128 RQTSKAZXZJYHKY-ZIAGYGMSSA-N 461.752 5.189 50 10 JKGE CC(C)(C)OC(=O)N1CCc2ccccc2[C@@H]1c1cccc(CCO[Si](C)(C)C(C)(C)C)c1 616588871 UFNFROUNFJQFRI-VWLOTQADSA-N 467.726 7.134 50 10 JKGE CC(C)(C)[Si](C)(C)OCCc1cccc([C@H]2CN(S(=O)(=O)c3ccccc3)CCO2)c1 616645706 NBPATPOWBZVBBI-HSZRJFAPSA-N 461.700 5.013 50 10 JKGE CO[C@](C)(COCc1ccccc1)Cn1c([C@@H](C)Cl)nc2c(Br)cccc21 702783395 IKBXQYVKRAPMJX-VFNWGFHPSA-N 451.792 5.721 50 10 JKGE Cc1cccc(CNC(=O)[C@H](c2cccs2)N(C(=O)CCl)c2cccc(C(F)(F)F)c2)c1 725238600 WEBUWUDNZKRPBJ-NRFANRHFSA-N 480.939 5.705 50 10 JKGE Cc1cc(C=NNC(=O)COc2ccc(Cl)cc2Cl)c(C)n1-c1cccc(Br)c1 725387152 DYGUVXMILRYHAP-UHFFFAOYSA-N 495.204 5.693 50 10 JKGE CC(=NNC(=O)CSCc1ccc(C)cc1)c1ccc2c(c1)[C@@H]1C=CC[C@@H]1[C@H](c1ccc(F)cc1)N2 725427790 XHSVGNJEIIBTKI-YIIWZEITSA-N 499.655 6.734 50 10 JKGE COc1cc(C=NNC(=O)CSc2ccc(Cl)cc2)ccc1OCc1ccccc1F 1084315457 RQFVXUBMMHXLRR-UHFFFAOYSA-N 458.942 5.309 50 10 JKGE C=CCc1cc(C=NNC(=O)CC[C@@H](O)c2ccc(OCC)cc2)ccc1OCc1ccc(F)cc1 1084401841 YNBHJZSTPOTKCG-HHHXNRCGSA-N 490.575 5.496 50 10 JKGE CCCCCCOc1ccc(C=NNC(=O)[C@@H](C)Oc2ccc(C(C)(C)C)cc2)cc1OC 1772755835 GHKVDAYXQRICPS-HXUWFJFHSA-N 454.611 5.869 50 10 JKGE CN(C)c1ccc([C@H]2C(C#N)=C(N)Oc3c2c(-c2ccccc2)nn3Cc2ccccc2Cl)cc1 1865682976 CEUFCLZTOVZRJC-DEOSSOPVSA-N 481.987 5.536 50 10 JKGE CCc1nn(-c2cccc(Cl)c2)c2c1[C@@H](c1cccc(Br)c1)C(C#N)=C(N)O2 1865683191 ABCFJIKXHHFWGX-SFHVURJKSA-N 455.743 5.069 50 10 JKGE Cc1ccc([C@@H]2C(C#N)=C(N)Oc3c2c(C(F)(F)F)nn3Cc2ccc(Cl)c(Cl)c2)cc1 1865686405 VJAMIZIYFYOEGH-QGZVFWFLSA-N 479.289 5.784 50 10 JKGE COc1ccc(-c2nn(-c3ccc(C)cc3)c3c2[C@@H](c2cc(Cl)ccc2O)C(C#N)=C(N)O3)cc1 1865689219 MWBAANWZVWRSAX-QHCPKHFHSA-N 484.943 5.434 50 10 JKGE COc1ccc(-c2nn(-c3ccc(Cl)cc3)c3c2[C@H](c2c[nH]c4ccccc24)C(C#N)=C(N)O3)cc1 1865700594 YISYPROEIHHCJF-DEOSSOPVSA-N 493.954 5.901 50 10 JKGE CCN(CC)c1ccc([C@@H]2C(C#N)=C(N)Oc3c2c(C(F)(F)F)nn3-c2ccc(C)cc2)cc1 1865701723 CNUQOFMZYFPVBH-HXUWFJFHSA-N 467.495 5.264 50 10 JKGE CCc1nn(-c2ccc(Br)cc2)c2c1[C@H](c1ccc(N(CC)CC)cc1)C(C#N)=C(N)O2 1865702174 OUCJFOQUDGHMHE-JOCHJYFZSA-N 492.421 5.262 50 10 JKGE Cn1nc(-c2ccccc2)c2c1OC(N)=C(C#N)[C@H]2c1c(OCc2ccccc2)ccc2ccccc12 1865704605 ZTAYKGHGGUZLJO-MHZLTWQESA-N 484.559 6.037 50 10 JKGE CCc1nn(CC(C)C)c2c1[C@H](c1ccc(N(CC)Cc3ccccc3)cc1)C(C#N)=C(N)O2 1865707014 LUSGXNPVSDYFCM-RUZDIDTESA-N 455.606 5.346 50 10 JKGE CCc1nn(Cc2cc(C)ccc2C)c2c1[C@H](c1ccc(Br)cc1)C(C#N)=C(N)O2 1865715193 YTWJZALHGJASJN-OAQYLSRUSA-N 463.379 5.091 50 10 JKGE Cc1cccc(C)c1OCCCC(=O)NNC(=O)c1ccc(-c2ccc(Cl)cc2Cl)nc1C 1865759754 QKHAXHAPMLLYPY-UHFFFAOYSA-N 486.399 5.601 50 10 JKGE Cc1nc(Cc2ccccc2)sc1C(=O)NNC(=O)/C=C/c1cccc(OCc2ccccc2)c1 1865845508 UDWHLQRZWXEKRK-FOCLMDBBSA-N 483.593 5.096 50 10 JKGE O=C(CCCCCCCCCCN1C(=O)c2ccccc2C1=O)N(CCCl)CCCl 1866307373 OLVQGRWZBCLTNG-UHFFFAOYSA-N 455.426 5.100 50 10 JKGE Cc1[nH]nc(C(=O)N[C@@H](Cc2ccc(F)cc2)C(=O)Nc2ccc(SC#N)cc2)c1-c1ccccc1 1867273308 HNLXOYVLQJYHCJ-QHCPKHFHSA-N 499.571 5.077 50 10 JKGE COCCc1nc(Nc2ccc(SC#N)cc2)cc(N2C[C@H](C)O[C@H](c3ccc(F)cc3)C2)n1 1868253847 VZSFQTQVYHDYSA-JTSKRJEESA-N 479.581 5.088 50 10 JKGE CCc1nc(Nc2ccc(SC#N)cc2)cc(N2CCN(CCCc3ccc(Cl)cc3)CC2)n1 1868278273 YKFWYDPBYPHCCT-UHFFFAOYSA-N 493.080 5.764 50 10 JKGE N#CSc1ccc(Nc2cc(N3CCC(N4CCCCCC4)CC3)nc(-c3ccccc3)n2)cc1 1868365722 VNFSPDQDAPUCAI-UHFFFAOYSA-N 484.673 6.305 50 10 JKGE O=C1/C(=C/c2cccc(Br)c2)Oc2cc(OCc3cccc(CCl)c3)ccc21 1871436917 CDHHJKVELZNVBC-JJFYIABZSA-N 455.735 6.383 50 10 JKGE CC(C)OC(=O)c1ccc(/C(C#N)=C/c2cccc(OCc3ccc(Cl)cc3Cl)c2)o1 1872728724 PNIWGYCYFNQYJX-VCHYOVAHSA-N 456.325 6.795 50 10 JKGE CCn1c(/C(C#N)=C/c2ccc(OCC(=O)Nc3ccc(C)cc3C)c(OC)c2)nc2ccccc21 1872730362 CZSRYDZZOSZLTN-PXLXIMEGSA-N 480.568 5.763 50 10 JKGE C[C@@H](c1ccccc1)N1C[C@@H](/C(O)=C(\C#N)c2nc(-c3ccc(-c4ccccc4)cc3)cs2)CC1=O 1872743891 RIMGGVONBWGJID-FEEOOOOHSA-N 491.616 6.879 50 10 JKGE CC(C)c1ccc(-c2csc(/C(C#N)=C(\O)CCCOc3ccc4ccccc4c3)n2)cc1 1872752259 UFBWEQFTBRBGEV-RFBIWTDZSA-N 454.595 7.739 50 10 JKGE N#C/C(=C(/O)CCCCCNC(=O)c1ccccc1)c1nc(-c2ccc3c(c2)OCO3)cs1 1872752823 UTWRPXSIPYNYNZ-VZCXRCSSSA-N 461.543 5.322 50 10 JKGE COc1cc(-c2csc(/C(C#N)=C(\O)Cc3ccc(NC(C)=O)cc3)n2)c(OC)cc1Cl 1872755055 WHTFXLIXGOPCGO-JZJYNLBNSA-N 469.950 5.474 50 10 JKGE COc1cc(OC)c(-c2csc(/C(C#N)=C(\O)CCCOc3ccccc3Cl)n2)cc1Cl 1872756766 ZUVYYMCOAXVXLI-CYVLTUHYSA-N 491.396 6.786 50 10 JKGE COc1ccc(-c2csc(/C(C#N)=C(\O)CCCOc3c(C)cccc3C)n2)c2ccccc12 1872758880 VCSUATKGWGCDAF-BZZOAKBMSA-N 470.594 7.241 50 10 JKGE CCOc1ccc(-c2csc(/C(C#N)=C/c3cc(Cl)c(O)c(OC)c3)n2)c(OCC)c1 1872794246 QTCVRUASHVSGME-OVCLIPMQSA-N 456.951 6.039 50 10 JKGE CCOc1cc(/C=N/NC(=O)[C@@H](NC(=O)OC(C)(C)C)[C@@H](C)CC)ccc1OCc1ccc(C)cc1 1873793548 PMZKUKPBCAMZJW-BVNMAMBGSA-N 497.636 5.362 50 10 JKGE CCCCCCCCCOc1ccc(/C=N/NC(=O)[C@@H](NC(=O)OC(C)(C)C)C(C)C)cc1OC 1873795694 XPOYTFVDZNCSPB-ISNDEZQZSA-N 491.673 5.824 50 10 JKGE COCCOc1ccc([C@H](Br)[C@H]2C[C@@H](Br)C2)cc1Br 1887751168 AVFDCOCLUFMJCK-WDMOLILDSA-N 457.000 5.084 50 10 JKGE C[C@H](CCBr)N(Cc1ccccc1)C(=O)c1cc(Br)cc([N+](=O)[O-])c1 1915082507 KAWKXYBCKOHPDJ-CYBMUJFWSA-N 470.161 5.173 50 10 JKGE Cc1cc(Br)cc(C(=O)N(Cc2ccccc2)C2(CBr)CCC2)c1 1915756201 HQUAIFXJSBZPPP-UHFFFAOYSA-N 451.202 5.718 50 10 JKGE Clc1ccc(C[C@@H](Cl)c2ccc(I)c(Br)c2)nc1 1918225600 UOLPGCNPIGMCGZ-GFCCVEGCSA-N 456.936 5.625 50 10 JKGE Fc1cc(Cl)cc([C@H](Br)c2cc(I)cc3c2OCC3)c1 1918788486 WQZKIIDDFAGFJT-AWEZNQCLSA-N 467.503 5.503 50 10 JKGE C[C@@H]1CC[C@](C)([C@@H](Br)c2sc(Br)cc2Br)C1(C)C 1922885976 JBONVDPIRKTEPV-CWONEXCFSA-N 459.085 7.172 50 10 JKGE C[C@@H]1O[C@H](C)[C@H]([C@H](Br)c2c(Br)sc(Br)c2Cl)[C@H]1C 1923038744 KNPHLHHICLQSIL-DJFHCUHBSA-N 481.475 6.422 50 10 JKGE CC1(C)C[C@@H]1C[C@H](Br)c1c(Br)sc(Br)c1Cl 1923067383 BSPDPGLYHPPHAH-WDSKDSINSA-N 451.449 6.799 50 10 JKGE Clc1c(Br)sc(Br)c1[C@H](Br)[C@@H]1C[C@@H]2CCCC[C@@H]21 1923068113 NDCFTOOKZUSZTB-QHOPCYEYSA-N 477.487 7.189 50 10 JKGE Clc1c(Br)sc(Br)c1[C@H](Br)CC[C@@H]1CCCO1 1923070919 FLFCJKGHZOFPJK-NKWVEPMBSA-N 467.448 6.322 50 10 JKGE C[C@H](c1ccncc1Br)[C@H](Br)c1ccc(Br)cc1F 1924040260 PAHOZWJTVKZJBL-CLAHSXSESA-N 451.959 5.985 50 10 JKGE C[C@@H]1CCO[C@H]1[C@H](Cl)c1c(Br)sc(Br)c1Br 1924579350 DGLDKPRDXXTGDQ-FOPMIJGASA-N 453.421 5.741 50 10 JKGE Cl[C@H](c1cnsc1)c1c(Br)sc(Br)c1Br 1924614505 YWWSRCQFRNSDAH-ZCFIWIBFSA-N 452.418 5.820 50 10 JKGE Fc1ccc([C@H](Cl)c2cc(I)sn2)c(F)c1Br 2007646842 CPQMCCNYDDTWBA-VIFPVBQESA-N 450.473 5.117 50 10 JKGE CCc1sc(Br)cc1[C@@H](Cl)c1cccc(F)c1I 2030214104 VJUMJBQELGNCOT-LBPRGKRZSA-N 459.549 6.145 50 10 JKGE CCc1sc(Br)cc1[C@H](Cl)c1c(Br)cccc1Br 2033090268 CKXYMRFFHJFTQA-ZDUSSCGKSA-N 473.455 6.926 50 10 JKGE FC1(F)C[C@]12CC[C@H]([C@H](Br)c1cc(Br)c(Br)s1)C2 2038548695 JCTNWIULNDUQRV-DQBIJJQNSA-N 464.995 6.535 50 10 JKGE Cc1cc(Br)c([C@H](Br)[C@H]2C[C@H]2C(F)(F)F)cc1Br 2039184636 DVRQAVNLMLZGTA-FMTFEUNWSA-N 450.918 6.154 50 10 JKGE N#CC(=C1C(=O)Nc2c(Cl)cc(Cl)cc21)c1nc(-c2ccc(Br)cc2)cs1 2040465452 OZCPWBAHFYCPFP-UHFFFAOYSA-N 477.170 6.266 50 10 JKGE FC1(F)CCCCC[C@@H]1[C@@H](Br)c1cc(Br)sc1Br 2046373212 JPUUKAMYFJXLSL-SCZZXKLOSA-N 467.011 6.925 50 10 JKGE CC1([C@H](Br)c2cc(Br)c(Br)s2)CCCCCCC1 2052511902 AIGJAWNCGXZCQA-GFCCVEGCSA-N 459.085 7.460 50 10 JKGE CC(C)c1cc(-n2nc(CBr)c(I)c2C(F)(F)F)ccc1O 2079258459 IVLKYWGWNJOINJ-UHFFFAOYSA-N 489.073 5.220 50 10 JKGE FC1(F)CN(Cc2ccccc2)CCCN(c2ccc(CBr)c(Br)c2)C1 2096469064 WZXTUVQDARHJOJ-UHFFFAOYSA-N 488.214 5.692 50 10 JKGE CC(C)(C)[C@H](C[C@H](Br)c1c(Cl)sc(Br)c1Cl)C(F)F 2111374610 QYGIMGCGNMAFGO-RITPCOANSA-N 459.021 7.571 50 10 JKGE CCc1nc([C@@H](Br)c2ccc(C)c(Br)c2C)c(Br)s1 2113185453 QOEZHJJLBLQCRZ-LBPRGKRZSA-N 468.052 6.332 50 10 JKGE CCN(c1cc(Br)cc(F)c1CBr)C1CCN(Cc2ccccc2)CC1 2114261104 MRICBCGUKPOTJJ-UHFFFAOYSA-N 484.251 5.974 50 10 JKGE Cc1cc(F)c(F)cc1[C@H](Br)c1cc(Br)cc(Br)c1 2139638269 MUFANKXZQYMJTC-CQSZACIVSA-N 454.934 6.283 50 10 JKGE COc1cc(Br)c(C)cc1[C@H](Br)c1cc(C)cc(Br)c1 2145961833 KBVYPYPAGHQBPK-MRXNPFEDSA-N 463.007 6.321 50 10 JKGE Clc1c(Br)ccc(CBr)c1N1CCc2cccc(Br)c21 2154359023 ANCXFTVHJOVSRC-UHFFFAOYSA-N 480.425 6.454 50 10 JKGE ClCc1cc(Cl)cc(Br)c1OCc1cc(Br)ccc1Cl 2166833488 UCHHXIIHPUCSDQ-UHFFFAOYSA-N 459.392 6.836 50 10 JKGE C[C@H](Cl)c1nc2cc(Cl)c(Br)cc2n1[C@@H]1CN(Cc2ccccc2)C[C@@H]1C 2169012318 VCZQNUKPUXDARP-PJSUUKDQSA-N 467.238 6.445 50 10 JKGE Fc1ccc(I)cc1[C@H](Cl)c1cc(Br)c2c(c1)CCO2 2169660341 BKUJZLBCZNSWRK-CQSZACIVSA-N 467.503 5.456 50 10 JKGE Cc1cc(Br)c(CBr)c(N2CC[C@@H]3[C@H](CCCN3Cc3ccccc3)C2)c1 2173443755 GJEABKVITZOAED-DENIHFKCSA-N 492.299 6.143 50 10 JKGE CCOCc1cc(Br)c([C@@H](Br)c2csnc2Br)s1 2217979669 UKHVXQBLQQUYRL-VIFPVBQESA-N 476.053 5.750 50 10 JKGE Fc1cc(Br)c(Br)cc1[C@@H](Br)CCCC(F)(F)F 2218603568 LRBBYPKIKIAYCM-ZETCQYMHSA-N 456.897 6.519 50 10 JKGE C[C@@H]1OCC[C@H]1C[C@@H](Br)c1c(Br)cc(Cl)c(Cl)c1Cl 2224309802 CVRSIXWSZTZVFH-BIIVOSGPSA-N 451.413 6.660 50 10 JKGE CC1(C)CCC[C@H]([C@@H](Br)c2cc(Br)c(Br)cc2F)C1 2225618252 YLBLBYHDDOLEMH-LKFCYVNXSA-N 457.019 7.003 50 10 JKGE Fc1cc(Br)c(Br)cc1[C@@H](Cl)c1ccc(Br)cc1Cl 2225632471 CFQFACDPHNBWJX-ZDUSSCGKSA-N 491.807 7.095 50 10 JKGE Brc1scc([C@H](Br)c2ccc([C@H]3CCOC3)s2)c1Br 2231740154 BIDRYIRIIIOXRM-CPCISQLKSA-N 487.076 6.323 50 10 JKGE Clc1cc(Br)c([C@H](Br)[C@H]2C[C@]23CCCOC3)c(Cl)c1Cl 2232517120 PMRCOOXUSJATGX-NRBYFXAUSA-N 463.424 6.662 50 10 JKGE Cc1cc(Br)c([C@H](Br)[C@@H]2CCCCC23CC3)c(C)c1Br 2235603322 INXHBDNXSFCYGL-BLLLJJGKSA-N 465.067 7.235 50 10 JKGE COc1c(Br)cc(C)cc1[C@@H](Br)c1sc(C)c(C)c1Br 2237632014 RNHXFVIDURUXPH-CYBMUJFWSA-N 483.063 6.691 50 10 JKGE Cc1ccc2c(c1)nc(CCl)n2-c1ccc(Br)cc1I 2240288954 IXCUFFSSLXBRDJ-UHFFFAOYSA-N 461.528 5.440 50 10 JKGE Cc1c(Br)csc1[C@@H](Br)c1cc2sc(Br)cc2s1 2263574878 DUPZMHJUNDKAPB-NSHDSACASA-N 487.101 7.342 50 10 JKGE Cn1cc([C@H](Cl)c2c(F)cc(Br)c(F)c2Br)c(Br)n1 2272728074 WKNQPYUFZXFJDA-VIFPVBQESA-N 479.344 5.314 50 10 JKGE C[C@@H]1C[C@H]1CCCCCOc1c(Br)cc(Br)cc1CBr 2284871375 YTDIEWVFDPHITM-VXGBXAGGSA-N 469.055 6.702 50 10 JKGE Brc1cc(Br)cc(C[C@@H](Br)c2ccc(C3CCC3)s2)c1 2295278981 JCKRKEYNRXNVCM-CQSZACIVSA-N 479.075 7.219 50 10 JKGE COc1cc(OC)c([C@H](Br)c2ccc(OCc3ccccc3)cc2)cc1Br 2295439012 XNRPNDUXMSIFAW-JOCHJYFZSA-N 492.207 6.530 50 10 JKGE N#CC(=Cc1ccc(-c2ccccc2)o1)C(=O)Nc1ncc(Cc2cc(Cl)ccc2Cl)s1 2296500284 ACLPQYLHIIBVJK-UHFFFAOYSA-N 480.376 6.846 50 10 JKGE CCOC(=O)C(C#N)=C1S[C@@H](Cc2cccc(Cl)c2)C(=O)N1c1ccc(Br)cc1 2296835078 VGWIQMDQZYYGSL-SFHVURJKSA-N 491.794 5.092 50 10 JKGE Cc1sc([C@H](Cl)c2c(Br)c(Br)nn2C)cc1Br 2301119502 SMSBMBAAFWFUDZ-QMMMGPOBSA-N 463.420 5.406 50 10 JKGE Cc1ccc(CBr)c(OC[C@@H]2CC2(Br)Br)c1Br 2307438722 HDKNOFRTXCVXFS-VIFPVBQESA-N 491.843 5.537 50 10 JKGE CCOc1cc(C=C(C#N)C(=O)NCc2ccccc2)ccc1OCc1ccc(Br)cc1 2313738928 ZDNRXXCKHPARAO-UHFFFAOYSA-N 491.385 5.650 50 10 JKGE C[C@H]1C[C@H]([C@@H](Br)c2cc(Br)ccc2OCc2ccccc2)C[C@@H](C)O1 2314451616 GSNQQTQRJDEXAM-ICDONNSOSA-N 468.229 6.668 50 10 JKGE CC1=C(C#N)C(=O)N(Cc2ccco2)C(=O)C1=Cc1ccc(OCc2ccc(Cl)cc2)cc1 2314618431 NMUUVFYJMZVVST-UHFFFAOYSA-N 458.901 5.304 50 10 JKGE CC1=C(C#N)C(=O)N(Cc2ccc(F)cc2)C(=O)C1=Cc1ccc(OCc2ccc(C)cc2)cc1 2314620582 RKZGDKBLMYLALY-UHFFFAOYSA-N 466.512 5.506 50 10 JKGE CC1(C)[C@H]2CC[C@@H](C2)[C@@H]1[C@@H](Br)c1sc(Cl)cc1I 2316773805 BPBPEIUHSIWTNT-LDDIKCJXSA-N 459.618 6.514 50 10 JKGE CCCCCCOc1ccc(C=C(C#N)c2nc(-c3ccc(Cl)cc3)cs2)cc1OC 2323839352 GDVIFEUPSFZZIU-UHFFFAOYSA-N 453.007 7.495 50 10 JKGE O=C(CCC(=O)c1ccc(Cl)cc1)NN=C1C(=O)N(Cc2ccccc2Cl)c2ccccc21 2326841482 JKUWXRJDOHJMIV-UHFFFAOYSA-N 480.351 5.024 50 10 JKGE COc1cc(C=C(C#N)c2nc3ccc(C)cc3[nH]2)ccc1OCC(=O)Nc1ccc(C)cc1 2331017973 BBPHQZQUHGEADZ-UHFFFAOYSA-N 452.514 5.270 50 10 JKGE COc1ccc(-c2csc(C(C#N)=C(O)C(=Cc3ccccc3)c3ccccc3)n2)cc1OC 2331242474 GDSSIFWEPDDSEG-UHFFFAOYSA-N 466.562 6.861 50 10 JKGE CCc1cccc(CC)c1N1C[C@@H](C(O)=C(C#N)c2nc(-c3cccc(OC)c3)cs2)CC1=O 2331246649 JBAMOAQGLPSWPE-FQEVSTJZSA-N 473.598 5.789 50 10 JKGE COc1ccc(OCC(O)=C(C#N)c2nc(-c3ccc(OC)c(C)c3C)cs2)c(C(C)(C)C)c1 2331362352 ZSIQFIVJUWBKKE-UHFFFAOYSA-N 478.614 6.613 50 10 JKGE Cc1cc(C)c(C)c(-c2csc(C(C#N)=C(O)[C@H](C)N3C(=O)c4ccccc4C3=O)n2)c1C 2331364774 VRVLTJQLJDKUEQ-KRWDZBQOSA-N 457.555 5.521 50 10 JKGE COc1c(C)cc(C)cc1-c1csc(C(C#N)=C(O)c2cc([N+](=O)[O-])c(C)c([N+](=O)[O-])c2)n1 2331376124 GFEVXVMTUBXTIY-UHFFFAOYSA-N 466.475 5.510 50 10 JKGE COc1cc(OC)c(-c2csc(C(C#N)=C(O)[C@H]3CC(=O)N(Cc4ccccc4)C3)n2)cc1Cl 2331378757 ZUHJEZXZFXNWQN-INIZCTEOSA-N 495.988 5.322 50 10 JKGE CCOc1ccc(-c2csc(C(C#N)=C(O)CCc3ccc(OCC)c(OC)c3)n2)c(OCC)c1 2331389076 OZSRMWXIPXRVJN-UHFFFAOYSA-N 494.613 6.440 50 10 JKGE CCOc1ccc(-c2csc(C(C#N)=Cc3ccc(N(CC)Cc4ccccc4)cc3)n2)cc1 2331441101 YTPDWWLYIZWPOV-UHFFFAOYSA-N 465.622 7.299 50 10 JKGE Cc1c(Br)ccc([C@@H](Br)[C@H]2CC[C@@H]3C[C@H]2CO3)c1Br 2334122373 GYBIHXCRVVGWAC-DDIVZENXSA-N 453.012 5.771 50 10 JKGE COc1ccc([C@@H](Cl)c2ccc(OCc3ccccc3)cc2Br)cc1Cl 2336042806 XUOMEDRKVWHBMC-OAQYLSRUSA-N 452.175 7.018 50 10 JKGE Cc1cc(I)c(Oc2ncc(Br)c(CCl)n2)cc1Cl 2336554869 XSCWZMHHQDKGOP-UHFFFAOYSA-N 473.923 5.337 50 10 JKGE Fc1c(Br)cc(Cl)c([C@H](Br)[C@H]2CC3(CC3)CO2)c1Br 2337083940 FZSCKGJMLFJEGL-PSASIEDQSA-N 477.393 6.009 50 10 JKGE CC[C@@H]([C@H](Br)c1c(C)cc(Br)c(F)c1Br)C(C)(F)F 2339656432 NSPQYLCZALNCIO-XVKPBYJWSA-N 466.961 6.777 50 10 JKGE Cc1cc(Br)c(F)c(Br)c1[C@H](Br)[C@]12C[C@](C)(CO1)C2 2339658582 JRZILTXSDMSRRN-MELADBBJSA-N 456.975 5.664 50 10 JKGE Cc1cc(Br)c(F)c(Br)c1[C@H](Br)C[C@@H]1OCC[C@H]1C 2339681682 KRFUDCKMQYYFBF-ZOFUNIGCSA-N 458.991 5.910 50 10 JKGE ClCc1ccc(OCc2ccc(I)c(Br)c2)cc1Cl 2349777847 FRFFRRSJSKQWNR-UHFFFAOYSA-N 471.947 6.025 50 10 JKGE C[C@@H](Cl)C[C@H]1CCCCN1Cc1ccc(I)c(Br)c1 2349846443 YKXSFNOWSXNJSJ-DGCLKSJQSA-N 456.593 5.426 50 10 JKGE FC1(F)[C@H]2C[C@H]([C@@H](Br)Cc3cc(Br)cc(Br)c3)CC[C@H]21 2360170198 SPDALLVMNQZGQZ-QQUHWDOBSA-N 472.993 6.199 50 10 JKGE Fc1ccc([C@H](Cl)c2c(Cl)cc(Br)c(F)c2Br)cc1Cl 2362222493 CDWXMNHENKPCIG-LBPRGKRZSA-N 465.346 7.125 50 10 JKGE Fc1c(Br)cc(Cl)c([C@@H](Br)CC2CC(C(F)F)C2)c1Br 2362234840 JBNQLGWSNNRPQJ-AHXFUIDQSA-N 499.390 7.122 50 10 JKGE COc1c(Br)cc(C)c([C@H](Br)C2CC(C(F)F)C2)c1Br 2365218898 OBBKBVGHPKNDHB-OIAXGBPSSA-N 476.981 6.256 50 10 JKGE CCn1cc([C@@H](Cl)c2c(C)cc(Br)c(F)c2Br)nc1Br 2365225821 NSKVCDNISOFCAS-LLVKDONJSA-N 489.408 5.966 50 10 JKGE FC(F)(F)[C@H]1C[C@@H]([C@H](Br)c2c(Br)cc(Cl)c(Cl)c2Cl)C1 2380890030 RIVKSSFZONSWDX-ZDEZVYLVSA-N 475.357 7.434 50 10 JKGE CC(C)CNC(=O)c1cc(NC(=O)[C@@H](C)Cl)ccc1N1CCC(Cc2ccccc2)CC1 746338 ORTCAQHCBMSTHT-LJQANCHMSA-N 456.030 5.097 50 10 JKGE Cc1ccc(C[C@H]2S/C(=C(\C#N)C(=O)Nc3ccc(Cl)cc3)N(c3ccc(F)cc3)C2=O)cc1 1790110 PYDANSOGYKCDRV-QPQMVVSWSA-N 491.975 5.853 50 10 JKGE Cc1nn(-c2ccccc2)c2c1[C@H](c1ccc(-c3nc4ccccc4s3)o1)C(C#N)=C(N)O2 33413164 DJTMTJYXCGVUOV-QFIPXVFZSA-N 451.511 5.269 50 10 JKGE CCOc1ccccc1OCC(=O)Oc1ccc(/C=C(/C#N)c2ccc(Cl)cc2)cc1OC 33461974 VOBUUJUFUWASMW-ZHZULCJRSA-N 463.917 5.796 50 10 JKGE CC[C@H](C)Oc1c(I)cc(/C=C(\C#N)c2ccc(C(=O)O)cc2)cc1OC 33477360 FFJSOGJFBBKZNH-YRUBURHZSA-N 477.298 5.239 50 10 JKGE N#C/C(=C/c1ccc(N2N=C(c3ccccc3)C[C@H]2c2ccccc2)cc1)c1nc2ccccc2s1 33568781 QOIWGUPMZWCCFI-CALWQIHWSA-N 482.612 7.716 50 10 JKGE CCOc1cccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)COc4ccc(Cl)c(C)c4)ccc32)c1 38684935 MTCYODSZSGJBAQ-AREMUKBSSA-N 490.943 5.250 50 10 JKGE CCCCCOc1ccccc1[C@@H]1C(C#N)=C(N)Oc2cc(OC(=O)c3ccc(OC)cc3)ccc21 38686005 KFUSRLOQOGLZBG-MHZLTWQESA-N 484.552 5.702 50 10 JKGE Cc1ccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4oc5ccc(Cl)cc5c4C)ccc32)cc1 40530251 QIEOICKGUPWOCH-XMMPIXPASA-N 470.912 6.140 50 10 JKGE Cc1c(C(=O)N2c3ccccc3C[C@H]2C)oc2c1/C(=N/NC(=O)c1ccc3ccccc3n1)CCC2 40825789 KTHNWIDWJCEXAA-NIUAFPNCSA-N 478.552 5.198 50 10 JKGE Cc1ccc(COc2ccc(/C=N/NC(=O)[C@H](C)Oc3cc(C)c(Cl)c(C)c3)cc2)cc1 40960404 BCXLRKISNQVTIZ-LDWYRGJHSA-N 450.966 5.762 50 10 JKGE COc1ccc(/C=N/NC(=O)CSc2c(Cl)c(Cl)c(Cl)c(Cl)c2Cl)c(O)c1 59156802 XUNWQBIKLUQUCS-RREIPUBJSA-N 488.607 5.910 50 10 JKGE CCOc1ccc(NC(=O)/C(C#N)=C\c2cc(Br)ccc2OCc2cccc(C)c2)cc1 59224464 GJUBYMDGHDAFQX-STZFKDTASA-N 491.385 6.281 50 10 JKGE C[C@@H](Cl)c1nc2cc(Br)c(F)cc2n1Cc1ccc(Br)s1 97399406 FUQUIVYUAJQHAH-SSDOTTSWSA-N 452.574 6.110 50 10 JKGE C[C@@H]1CCCC[C@H]1NC(=O)[C@@H](c1ccc(Cl)cc1)N(CCc1ccccc1Cl)C(=O)CCl 97914254 GVZMDHMDUGNGNW-CUHUQNRHSA-N 495.878 6.040 50 10 JKGE CC1(C)[C@@]2(C(Br)Br)CC[C@@]1(C(=O)Nc1ccc(F)cc1)[C@@H]2Br 100848669 XLTTVWGMIJSEPK-RLCCDNCMSA-N 498.028 5.450 50 10 JKGE CCOC(=O)/C(C#N)=C(/Nc1ccc(OC)cc1)S/C(=C/C=C(C#N)C#N)c1ccccc1 108783943 OJVKPZIDIKMXOD-BISWJPHYSA-N 456.527 5.153 50 10 JKGE O=C1CCCc2cc([C@H](Br)c3ccc(I)cc3)ccc2N1 109870289 GPVNABKGUFDSTM-QGZVFWFLSA-N 456.121 5.050 50 10 JKGE Cc1ccccc1C(CBr)(CBr)Cc1ccc(Cl)c(Cl)c1 118877062 NGPYSLDOUGGEMC-UHFFFAOYSA-N 451.029 6.572 50 10 JKGE CCOc1ccc([C@H](Br)c2ccc(I)cc2)c(Br)c1 126713494 CJYYYFWSNMFMHV-OAHLLOKOSA-N 495.980 5.937 50 10 JKGE Clc1ccc([C@@H](Cl)c2cc(Br)c(Br)s2)c2ccccc12 128570028 GSCQNMUQJAUHNP-CQSZACIVSA-N 451.010 7.408 50 10 JKGE Cc1cc(Br)c([C@H](Br)Cc2ccccc2Cl)cc1Br 128838778 WNJAOHPRQOKGLB-CQSZACIVSA-N 467.426 6.852 50 10 JKGE CCCCCCCCCCCCCCCC[PH](c1ccccc1)(c1ccccc1)c1ccccc1 145752293 FTRKZMCTENRHRE-UHFFFAOYSA-N 488.740 9.194 50 10 JKGE Fc1cccc(C[C@@H](CBr)Cc2ccccc2Br)c1Br 157905236 JNMBBBFMBIOMRF-NSHDSACASA-N 464.998 6.147 50 10 JKGE CCCCCN1C(=O)C(C#N)=C(C)/C(=C/c2ccc(OCc3ccccc3F)c(OCC)c2)C1=O 214238824 BMDVFFGWWCSLHJ-JCMHNJIXSA-N 476.548 5.586 50 10 JKGE COc1ccc([C@H](Br)Cc2ccc(Br)cc2)c(OC)c1Br 224858314 ANWVKVDPIPXNFE-CYBMUJFWSA-N 479.006 5.908 50 10 JKGE COCCOc1ccc([C@H](Br)c2ccc(Br)s2)cc1Br 229016472 RHTOTKGXHNUIMJ-AWEZNQCLSA-N 485.035 5.783 50 10 JKGE COc1cc(C)c(Br)cc1[C@H](Cl)c1cc(Br)sc1Br 234806962 FDTWYCOHABDSHY-LBPRGKRZSA-N 489.454 6.681 50 10 JKGE CC(=NNC(=O)[C@H]1C[C@@H]1c1ccc(C(C)(C)C)cc1)c1cccc(NC(=O)c2ccccc2F)c1 252604112 FWPPNHQXHLKRAG-RPBOFIJWSA-N 471.576 6.019 50 10 JKGE CCN(CC)c1ccc(/C=C(\NC(=O)c2ccccc2)C(=O)NN=Cc2cccc(Cl)c2)cc1 252611905 IOFXACWYTNIAAR-RGNUTHIZSA-N 474.992 5.107 50 10 JKGE CC(=NNC(=O)c1ccc([N+](=O)[O-])c(C)c1)c1ccc(NC(=O)c2ccc(Cl)s2)cc1 252612220 IQKICJWIRPZQJI-UHFFFAOYSA-N 456.911 5.024 50 10 JKGE CC(C)CCC[C@@H](C)[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 253530248 RJYDKYCTOASENH-PFSPQGEVSA-N 491.200 8.957 50 10 JKGE biogenic CC(C)CCC[C@@H](C)[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 253530289 XOLVVFSHDULKRS-LTWYFJMYSA-N 477.173 8.567 50 10 JKGE biogenic CC(C)(c1ccccc1)c1ccc(OCC(=O)NN=Cc2cc(Br)ccc2O)cc1 256017190 CWIQPGBEMLJKFR-UHFFFAOYSA-N 467.363 5.010 50 10 JKGE COc1ccc([C@@H](Br)c2cc(Cl)c(C)cc2Br)cc1Br 312821171 SVJWKYKWNNLHIJ-OAHLLOKOSA-N 483.425 6.666 50 10 JKGE Cc1ccc(C(=O)Nc2sc(/C(C#N)=C\c3cc(C)c(O)c(C)c3)nc2-c2ccccc2)cc1 334161942 HNLHIROTFMEQQQ-HAHDFKILSA-N 465.578 6.757 50 10 JKGE C[C@@H]1CCN(c2ccc(Br)cc2CBr)CCN1Cc1ccccc1 382665758 YUYBHCOIXHEBGJ-MRXNPFEDSA-N 452.234 5.445 50 10 JKGE Cc1oc(Br)cc1[C@@H](Br)c1cc2c(cc1Br)OCC2 396506178 MMZMGSGSYAFGMZ-CQSZACIVSA-N 450.952 5.532 50 10 JKGE Cc1oc(Br)cc1[C@@H](Br)c1cc2c(cc1Br)NC(=O)C2 396611419 UBMYVDSFAQCKIV-CQSZACIVSA-N 463.951 5.092 50 10 JKGE C[C@@H]1C[C@H](n2c(CCl)nc3cc(I)ccc32)CN1Cc1ccccc1 398010527 BLHZJEJIOCWESA-PBHICJAKSA-N 465.766 5.215 50 10 JKGE C[C@H](Cl)c1nc2cc(I)c(F)cc2n1[C@H]1C[C@@H](C)N(Cc2ccccc2)C1 398228531 VYIBOPUVHISLMG-YCPHGPKFSA-N 497.783 5.915 50 10 JKGE Clc1ccc(Br)c([C@H](Cl)c2cc(Cl)c(Cl)c(Cl)c2Cl)c1 404834074 IJARCAVJIFOBRM-JTQLQIEISA-N 453.805 8.044 50 10 JKGE COCc1cc(Br)c([C@H](Br)c2ccc(Br)c(C)c2)s1 688146360 OWZDSOWZIAZRDS-CYBMUJFWSA-N 469.036 6.212 50 10 JKGE Cc1cc([C@H](Br)c2ccc(I)c(Br)c2)ccc1F 721593682 LCRIEEYTJLPKOH-AWEZNQCLSA-N 483.944 5.986 50 10 JKGE COc1cc(C=NNC(=O)Cc2ccc(Cl)cc2)cc(Br)c1OCc1ccccc1 725443474 AYPZRSHLHUXNSA-UHFFFAOYSA-N 487.781 5.383 50 10 JKGE N#C/C(=C/c1ccc(OCc2ccc(Cl)cc2)cc1)C(=O)Nc1cc([N+](=O)[O-])ccc1Cl 1084086386 LLNROYAJVLAHHW-BOPFTXTBSA-N 468.296 6.026 50 10 JKGE O=C(NN=Cc1cc2c(cc1Br)OCO2)c1ccc(CSCc2ccccc2)cc1 1084150500 FXZDAXDLOTZHTB-UHFFFAOYSA-N 483.387 5.375 50 10 JKGE Cc1cc(C=NNC(=O)CCSc2ccccc2)c(C)n1-c1ccc(Br)cc1 1084520565 XIWGLDUGPALKEV-UHFFFAOYSA-N 456.409 5.489 50 10 JKGE COc1cc(C=NNC(=O)CSc2nc3ccccc3s2)ccc1OCc1ccc(F)cc1 1084646474 YCESCPZQXDECDB-UHFFFAOYSA-N 481.574 5.265 50 10 JKGE CC1=C(C(=O)NN=Cc2ccc(Cl)cc2Cl)[C@H](c2ccc(Cl)cc2Cl)NC(=S)N1 1084646858 DLRUBGORQGITJL-KRWDZBQOSA-N 488.227 5.243 50 10 JKGE Cc1ccc(C[C@H]2S/C(=C(\C#N)C(=O)N[C@H](C)c3ccccc3)N(c3ccc(C)c(C)c3)C2=O)cc1 1614653277 KUGRWEINLJQQNO-NZBROUCASA-N 495.648 5.916 50 10 JKGE CC(C)(C)OC(=O)N1C[C@@H](CI)[C@H](c2cccc(C(F)(F)F)c2)C1 1614810046 KJBWSYLJFLCNQP-OCCSQVGLSA-N 455.258 5.091 50 10 JKGE O=C(CSc1nc(-c2ccccc2)cs1)NN=Cc1ccccc1OCc1ccc(Cl)cc1 1772755036 IMZQDDXBKDTYMS-UHFFFAOYSA-N 494.041 6.285 50 10 JKGE CCc1nn(Cc2c(F)cccc2Cl)c2c1[C@H](c1ccc(C(C)C)cc1)C(C#N)=C(N)O2 1865685930 PGLJBARQOIGLTE-JOCHJYFZSA-N 450.945 5.628 50 10 JKGE C=CCOc1ccccc1[C@H]1C(C#N)=C(N)Oc2c1c(CCC)nn2Cc1cccc(Cl)c1 1865691093 JAFAMLJNZULWDT-QHCPKHFHSA-N 460.965 5.320 50 10 JKGE CCCCCCOc1ccc([C@H]2C(C#N)=C(N)Oc3c2c(C)nn3-c2ccccc2Cl)cc1OC 1865695664 FYQFBAJZRMGYIL-VWLOTQADSA-N 493.007 6.020 50 10 JKGE COc1ccc(-c2nn(Cc3cccc(F)c3)c3c2[C@@H](c2sccc2C)C(C#N)=C(N)O3)cc1 1865699030 IXKNVKQKDPBNPT-NRFANRHFSA-N 472.545 5.334 50 10 JKGE COc1cccc([C@@H]2C(C#N)=C(N)Oc3c2c(-c2ccccc2)nn3-c2ccc(Cl)cc2)c1OC 1865701252 QHDDAZRNSIXXLI-JOCHJYFZSA-N 484.943 5.428 50 10 JKGE Cc1nc(-c2ccc(Cl)cc2Cl)ccc1C(=O)N/N=C\c1ccc(Cl)c(Cl)c1 1865760573 DYLMTZROMYLKFB-MRUKODCESA-N 453.156 6.435 50 10 JKGE C[C@H](CC(=O)N[C@@H](C(=O)Nc1ccc(SC#N)cc1)c1ccccc1)c1cccc(Cl)c1 1867186769 GUEKXHKBDWAGHH-MZNJEOGPSA-N 463.990 5.903 50 10 JKGE COc1ccc(/C=C2\Oc3c(ccc(OCc4ccc(CCl)cc4)c3C)C2=O)c(OC)c1 1871437137 ZEHSUFWKRZRCEL-MSXFZWOLSA-N 450.918 5.946 50 10 JKGE CCCCc1ccc(-c2csc(/C(C#N)=C(\O)c3cc([N+](=O)[O-])c(C)c([N+](=O)[O-])c3)n2)cc1 1872744835 KKYJSJIAWXCQFT-PYCFMQQDSA-N 464.503 6.227 50 10 JKGE CCOc1ccc(/C=C(C(/O)=C(\C#N)c2nc(-c3ccc(C)cc3C)cs2)\c2ccccc2)cc1 1872748847 PTYBMIHTMWWGDI-YLOUKKIVSA-N 478.617 7.859 50 10 JKGE COc1cc(OC)c(-c2csc(/C(C#N)=C(\O)c3cccc(Oc4ccccc4)c3)n2)cc1Cl 1872756742 YOMUVLLZEWUUSM-QQTULTPQSA-N 490.968 7.223 50 10 JKGE N#C/C(=C(/O)c1ccc(N2CCOCC2)c([N+](=O)[O-])c1)c1nc(-c2ccc(Cl)s2)cs1 1872758407 YTCAUEIVYJDRDY-UYRXBGFRSA-N 474.951 5.220 50 10 JKGE COc1cc(/C=C(\C#N)c2nc(-c3ccc(F)cc3F)cs2)ccc1OCc1ccc(C)cc1 1872784499 PSCVGTGFPYVUFA-RGVLZGJSSA-N 474.532 7.049 50 10 JKGE COc1cc(/C=C(\C#N)c2nc(-c3ccc(Cl)cc3)cs2)cc(Br)c1OC(C)C 1872790146 NQELGQGOLYRVGZ-LZYBPNLTSA-N 489.822 7.086 50 10 JKGE COc1cc(/C=C(\C#N)c2nc(-c3c[nH]c4ccccc34)cs2)cc(Br)c1OC(C)C 1872791400 HPRZWUFUEZSUDQ-LZYBPNLTSA-N 494.414 6.914 50 10 JKGE Cc1sc([C@H](Cl)c2sc(Cl)cc2I)cc1Br 1901024399 VUTABMDZBYSLQH-VIFPVBQESA-N 468.006 6.467 50 10 JKGE COc1cc(C)c([C@H](Br)c2c(C)nsc2Br)cc1Br 1901587448 YXCPZQCENNOSNE-LBPRGKRZSA-N 470.024 5.778 50 10 JKGE C[C@@H](CBr)N(Cc1ccccc1)S(=O)(=O)c1ccc(Cl)c(F)c1Cl 1914340631 AHYMJASSQSNRBV-NSHDSACASA-N 455.176 5.107 50 10 JKGE C[C@@H]1C[C@H]([C@H](Cl)c2c(Br)sc(Br)c2Br)CO1 1924579797 KFZVFALVSVRUNT-FOHZUACHSA-N 453.421 5.741 50 10 JKGE C[C@@H](C[C@H](Cl)c1c(Br)sc(Br)c1Br)CC(C)(C)C 1924591714 TVNJWBMYXYGSRD-YUMQZZPRSA-N 481.519 7.778 50 10 JKGE Cl[C@H](c1ccc2c(c1)CCO2)c1c(Br)sc(Br)c1Br 1924596338 MZRFYWKPMJVIGR-LLVKDONJSA-N 487.438 6.299 50 10 JKGE CC(C)(C)OC(=O)NC[C@@H]1CCCC2(CCC2)[C@]12CCC[C@H](CI)O2 1924802265 YOMNCMBYGBWTPR-YRNRMSPPSA-N 463.400 5.224 50 10 JKGE Cc1csc(C(=O)N(Cc2ccccc2)[C@H](CBr)C2CC2)c1Br 1939883872 PHZNWNXJZRPIRV-OAHLLOKOSA-N 457.231 5.635 50 10 JKGE C[C@@H]1CC[C@H](OC2(CI)CCN(C(=O)OC(C)(C)C)CC2)[C@H](C)C1 1947112792 PHOWOQLNDNVEPT-OAGGEKHMSA-N 451.389 5.032 50 10 JKGE C[C@@H](C1CC1)N(Cc1ccccc1)S(=O)(=O)c1cc(CBr)sc1Br 2009621923 LDUBHZTUVMAFOK-LBPRGKRZSA-N 493.286 5.395 50 10 JKGE Cc1nn(C)c(Br)c1[C@H](Cl)c1cc(Br)sc1Br 2013202187 JMBLIAABGCVCLA-MRVPVSSYSA-N 463.420 5.406 50 10 JKGE C=C1CC[C@@H](O[Si](C)(C)C(C)(C)C)CC1=CCP(=O)(c1ccccc1)c1ccccc1 2053539395 OFSDSMTXHBTJEI-XMMPIXPASA-N 452.651 7.057 50 10 JKGE CO[C@H]1C[C@@H]([C@H](Br)c2cc(Br)sc2Br)C[C@H]1OC 2054488261 XAOVMIBQBIUGQX-HLFIEIIFSA-N 463.029 5.149 50 10 JKGE Cc1nn(C)c(Br)c1[C@@H](Cl)c1c(Br)sc(Br)c1Cl 2065890757 QMERATKQYOYKNB-ZCFIWIBFSA-N 497.865 6.059 50 10 JKGE Cc1ccc(Br)cc1[C@H](Br)c1c(Br)sc(C)c1C 2082884893 NVUGDWBVWLVDAT-ZDUSSCGKSA-N 453.037 6.683 50 10 JKGE Cc1cc(Br)c([C@H](Br)[C@@H]2C[C@@H]3C[C@H]3C[C@@H]2C)cc1Br 2088249200 QRBIYWAOEPNBEH-UESTYPTRSA-N 451.040 6.638 50 10 JKGE Cc1cc(Br)c([C@@H](Br)CC23CCC(CC2)C3)cc1Br 2100866421 FERJNGJUXIBWLR-AJQRCPHMSA-N 451.040 6.926 50 10 JKGE FC1(F)CCC[C@@H]2[C@H]([C@H](Br)c3c(Br)sc(Br)c3Cl)[C@@H]21 2114391292 FSMRDGZWWJCEQU-ROHCDXGRSA-N 499.440 7.044 50 10 JKGE Cc1c(Br)ccc([C@@H](Br)[C@@H]2C[C@H](C)O[C@H](C)C2)c1Br 2138866467 UHHXNQALYMRMQN-GEYZGQBZSA-N 455.028 6.160 50 10 JKGE BrC[C@@]12CCC[C@@H]1N(Cc1cccc(Br)c1Br)CCC2 2165244339 SAMDCTDCCUHOJE-HOCLYGCPSA-N 466.055 5.741 50 10 JKGE Clc1cc(Br)cc(C[C@@H](CBr)Cc2ccccc2Br)c1 2166829313 BYVNOQRAVCNQFV-GFCCVEGCSA-N 481.453 6.661 50 10 JKGE Cc1c(Br)sc([C@H](Br)C2(C(F)(F)F)CCCCC2)c1Br 2173211928 FVBQRVILOWDGNN-JTQLQIEISA-N 499.028 7.530 50 10 JKGE BrC[C@@H]1CN(Cc2c(Br)cccc2Br)CC12CCCC2 2175222804 YBISKEVCUFQKIX-GFCCVEGCSA-N 466.055 5.599 50 10 JKGE Clc1cc2c(cc1[C@@H](Br)c1cc(I)sn1)OCCCO2 2176535737 BGQBSYFQAKYMSO-CYBMUJFWSA-N 486.556 5.047 50 10 JKGE Cc1nn(C)c([C@H](Br)c2csc3c(Br)cccc23)c1Br 2192376100 TUUKVVVZGBAJQO-GFCCVEGCSA-N 479.035 5.953 50 10 JKGE Cc1cc(Br)c(C)c([C@H](Cl)c2nn(C)c(Br)c2C)c1Br 2201066366 ZRQQONFWISSKHI-LBPRGKRZSA-N 485.445 5.961 50 10 JKGE CC1(C)C[C@@H](O[C@@](C)(CI)c2ccccc2Br)C1(C)C 2204945607 LGSJWQGGTIVPNL-PBHICJAKSA-N 451.186 5.941 50 10 JKGE CC[C@@H](Br)CN(Cc1ccccc1)C(=O)c1sc(C)c(C)c1Br 2211913729 ZJDCOVZYLXEZDP-OAHLLOKOSA-N 459.247 5.943 50 10 JKGE Clc1cc(Br)c([C@H](Cl)c2cscc2OCc2ccccc2)c(Cl)c1Cl 2217604603 FBDKECRGVCWPDO-MRXNPFEDSA-N 497.068 8.378 50 10 JKGE BrCc1ccc(N2C[C@@H]3CCC[C@H](C2)N3Cc2ccccc2)c(Br)c1 2219215581 BKNPYKNIQLZJCO-KDURUIRLSA-N 464.245 5.587 50 10 JKGE FC(F)(F)COC[C@@H](Br)c1c(Br)cc(Cl)c(Cl)c1Cl 2224302995 QVDWKMKNJRMPTM-RXMQYKEDSA-N 465.318 6.424 50 10 JKGE COc1ccc([C@@H](Br)c2ccc(C)c(I)c2)cc1Cl 2224621542 FIQWCPOFOAHHKT-OAHLLOKOSA-N 451.529 5.746 50 10 JKGE Cc1cc(Br)c([C@H](Br)[C@@H]2OCCO[C@H]2C)c(C)c1Br 2227362856 RDIZMHGXFMXGQC-QCZZGDTMSA-N 457.000 5.068 50 10 JKGE CCc1occ(C)c1[C@@H](Br)c1c(Br)cc(Cl)c(Cl)c1Cl 2232529207 KZAFAXLAQHLJCS-GFCCVEGCSA-N 461.408 7.357 50 10 JKGE Fc1cc([C@H](Br)c2cc(Cl)sc2Cl)c(Cl)cc1Br 2255971023 YJCNGKXMKXAOFV-JTQLQIEISA-N 453.385 7.094 50 10 JKGE Fc1cc(Br)c(F)c(Br)c1[C@H](Cl)c1sccc1Br 2260005857 MAJCZILUJXRAEU-VIFPVBQESA-N 481.381 6.642 50 10 JKGE CC[C@H]1CN(C(=O)OCc2ccccc2)[C@@H](CC)CN1CCCCCCCBr 2263167647 WOTYZMNKRCANQR-VXKWHMMOSA-N 453.465 5.843 50 10 JKGE Clc1sc([C@@H](Cl)Cc2cc(Br)cc(Br)c2)cc1Br 2263447043 VCWKMXUNPKNIFQ-JTQLQIEISA-N 493.873 7.212 50 10 JKGE Cc1c(Br)sc([C@@H](Br)[C@@H]2CC(F)(F)C23CCC3)c1Br 2266147348 ZAYKEIFKYBAQEB-CBAPKCEASA-N 479.022 6.843 50 10 JKGE COc1c([C@@H](Cl)c2sccc2I)cc(Br)c(C)c1C 2269102512 UZBYPNBBLFPJFS-GFCCVEGCSA-N 471.585 6.069 50 10 JKGE Fc1cc(Br)c(F)c(Br)c1[C@@H](Br)CC1CCOCC1 2272840825 KQUWMKOHUMTWHG-QMMMGPOBSA-N 462.954 5.743 50 10 JKGE Clc1cccc([C@H](Br)c2cc(Br)c3c(c2)CCO3)c1Br 2283189716 ULCKHABBXOOLHO-CYBMUJFWSA-N 481.409 6.284 50 10 JKGE Oc1nc2ccc([C@@H](Br)c3ccc(Cl)c(I)c3)cc2o1 2283587498 VDYWPALLTSYCFP-ZDUSSCGKSA-N 464.484 5.276 50 10 JKGE C=CC[C@]1(CBr)CCCN1C(=O)c1cc(Br)cc(Br)c1 2287791755 LNMYTVNUCGLJDC-OAHLLOKOSA-N 466.011 5.157 50 10 JKGE Cc1ccc(NC(=O)C(C#N)=C2S[C@@H](Cc3ccccc3)C(=O)N2c2ccc(F)cc2)cc1 2293038916 HNVTZMXHPJUIBI-QHCPKHFHSA-N 457.530 5.199 50 10 JKGE CCn1c(SCC(=O)NN=CC=Cc2ccccc2OC)nnc1-c1ccc(C(C)(C)C)cc1 2293713073 WIBSESWUTKAPHS-UHFFFAOYSA-N 477.634 5.179 50 10 JKGE C[C@@H]1CC[C@](C)([C@@H](Br)Cc2cc(Br)cc(Br)c2)C1(C)C 2295344692 BZDHTXOFDNHYCO-XQAQDONZSA-N 467.083 6.980 50 10 JKGE COC(=O)c1cc(NC=C(C#N)c2nc(-c3ccc(Cl)cc3)cs2)cc(C(=O)OC)c1 2296764714 BLXSPGZPCJGFMD-UHFFFAOYSA-N 453.907 5.013 50 10 JKGE CCOC(=O)c1c(-c2ccc(Cl)cc2)csc1NC(=O)C(C#N)=Cc1ccccc1OC(C)C 2296819063 PYKQMBYMPCUVGQ-UHFFFAOYSA-N 495.000 6.578 50 10 JKGE COc1cc(C=C(C#N)c2nc(-c3ccccc3)cs2)ccc1OCC(=O)Nc1ccccc1 2296834457 QAFWTVHCBCTBIG-UHFFFAOYSA-N 467.550 5.900 50 10 JKGE FC1(F)CCCC[C@H]1[C@H](Br)c1sc(Cl)cc1I 2300998111 OSGFZLHWIOTHSR-RCOVLWMOSA-N 455.533 6.268 50 10 JKGE Cl[C@H](c1c(Br)sc(Br)c1Br)[C@@H]1O[C@H]2CC[C@H]1C2 2307418673 WCSUSFFMQKPNFZ-KTLDWYAMSA-N 465.432 5.883 50 10 JKGE Cc1cccc(NC(=O)C(C#N)=Cc2cc(Br)ccc2OCc2ccccc2F)c1 2313540937 FDRWTPSOWKSPBX-UHFFFAOYSA-N 465.322 6.021 50 10 JKGE COC(=O)COc1c(Cl)cc(C=C(C#N)C(=O)Nc2cccc(Cl)c2Cl)cc1Cl 2313571359 UKQZTOZXALCYNW-UHFFFAOYSA-N 474.127 5.398 50 10 JKGE COc1cc(C=C(C#N)C(=O)Nc2cccc(C(F)(F)F)c2)cc(Br)c1OC(C)C 2313683445 CNNRKEHLOAAJJK-UHFFFAOYSA-N 483.284 5.809 50 10 JKGE COc1cc(C=C(C#N)C(=O)Nc2cc([N+](=O)[O-])ccc2Cl)ccc1OC(=O)c1ccccc1 2313728152 PUZBHWQOOALACO-UHFFFAOYSA-N 477.860 5.022 50 10 JKGE C[C@@]12CC[C@@]([C@H](Br)c3cc(Br)ccc3OCc3ccccc3)(CO1)C2 2314440548 QKVIWHOLHJVHTD-HKBOAZHASA-N 466.213 6.423 50 10 JKGE Cc1ccc(C[C@@H]2SC(=C(C#N)C(=O)Nc3ccccc3C)N(c3ccc(C)c(C)c3)C2=O)cc1 2314591919 HRWSUDIXNDSBKG-SANMLTNESA-N 481.621 5.985 50 10 JKGE C=CCOc1ccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)C=Cc4ccc(C)cc4)ccc32)cc1OC 2314634395 MHFOMZFLIZIUOO-GDLZYMKVSA-N 494.547 5.405 50 10 JKGE Fc1c(Br)cc(Cl)c([C@H](Br)[C@H]2CC[C@@H](F)C2)c1Br 2315439289 CLJXHDRQUJWUQC-BAJZRUMYSA-N 467.373 6.578 50 10 JKGE CCN(c1ccccc1)S(=O)(=O)c1ccccc1NC(=O)C(C#N)=Cc1ccc(Cl)cc1 2329653111 RUBQIAIPPOZJBY-UHFFFAOYSA-N 465.962 5.101 50 10 JKGE CC[C@@H](C)N1C(=O)c2ccc(C(O)=C(C#N)c3nc(-c4ccc5c(c4)CCCC5)cs3)cc2C1=O 2331240117 RSSVYDQLMUCQTL-MRXNPFEDSA-N 483.593 6.033 50 10 JKGE CCCOc1ccc(-c2csc(C(C#N)=C(O)c3cc(Cl)ccc3Cl)n2)cc1OCCC 2331293556 YRFYUGRWDNNLKV-UHFFFAOYSA-N 489.424 7.644 50 10 JKGE COc1ccccc1OCC(O)=C(C#N)c1nc(-c2cc(C(C)C)c(OC)cc2C)cs1 2331358627 WNBAIOLESDFQMV-UHFFFAOYSA-N 450.560 6.131 50 10 JKGE Cc1cc(C)c(C)c(-c2csc(C(C#N)=C(O)C=Cc3ccc(Cl)cc3Cl)n2)c1C 2331364697 XEJCBZXQIVTVSW-UHFFFAOYSA-N 455.410 7.857 50 10 JKGE COc1c(Cl)cc(-c2csc(C(C#N)=C(O)c3cccc(Br)c3)n2)cc1Cl 2331396602 UOAJJHIERIAJAO-UHFFFAOYSA-N 482.186 6.838 50 10 JKGE COc1ccc(Cl)cc1-c1csc(C(C#N)=C(O)Cc2ccc(Cl)c(Cl)c2)n1 2331408980 FTGAUUINUQWSPA-UHFFFAOYSA-N 451.762 6.814 50 10 JKGE CCCCc1ccc(-c2csc(C(C#N)=Cc3ccc(OCc4ccccc4)c(OC)c3)n2)cc1 2331429481 ZJTQYJMFVGYGFX-UHFFFAOYSA-N 480.633 7.804 50 10 JKGE CCOc1cc(C=C(C#N)c2nc(-c3ccc(OC)cc3)cs2)cc(Br)c1O 2331431329 QKZUKOLZTOGVGO-UHFFFAOYSA-N 457.349 5.750 50 10 JKGE Cc1cc(Br)c(C)c([C@@H](Br)[C@H]2OCCO[C@H]2C)c1Br 2332925728 OZVCFUKUSIPFCB-FZZIBODNSA-N 457.000 5.068 50 10 JKGE COc1ccc([C@@H](Br)c2ccc(OCc3ccccc3)cc2Br)cc1Cl 2336038205 LFRSQPGINITOBW-OAQYLSRUSA-N 496.626 7.174 50 10 JKGE CC(C)CC1([C@@H](Br)c2cc(Br)ccc2OCc2ccccc2)CCCC1 2336046000 AKZPRBVDGVHMOG-QFIPXVFZSA-N 480.284 8.071 50 10 JKGE Brc1cc(OCc2ccccc2)ccc1[C@@H](Br)c1ccc2sccc2c1 2336050488 KXZMXSBEBIZGFT-QFIPXVFZSA-N 488.244 7.727 50 10 JKGE COc1ccc(Oc2cc(Br)cc(I)c2)c(CCl)c1 2338757794 MQPRQJLXTHQUIA-UHFFFAOYSA-N 453.501 5.593 50 10 JKGE Cc1cc(Br)c(F)c(Br)c1[C@H](Br)CC1CC(F)(F)C1 2339683476 DIMKZMTWQLGHOM-MRVPVSSYSA-N 464.945 6.531 50 10 JKGE ClCc1cnc(OCc2c(Br)cccc2Br)c(Br)c1 2340599667 FAJONGVPOPKUME-UHFFFAOYSA-N 470.386 5.687 50 10 JKGE Fc1ccc(OCc2ccc(I)c(Br)c2)c(CBr)c1 2349803663 BDKOGYYMRGDJHA-UHFFFAOYSA-N 499.943 5.667 50 10 JKGE CC1(C)C[C@@H](Cl)C[C@H](NCc2ccc(I)c(Br)c2)C1 2349826591 GYHGCRWPTYTNHI-RYUDHWBXSA-N 456.593 5.329 50 10 JKGE COc1ccc(OCc2ccc(I)c(Br)c2)c(CCl)c1 2377287054 MZVHLPZLCZFPCZ-UHFFFAOYSA-N 467.528 5.380 50 10 JKGE CCc1cc(Br)c(OC)c([C@@H](Br)c2cc(C)sc2Br)c1 2381257332 CKJXQZRHIUVPNN-CYBMUJFWSA-N 483.063 6.637 50 10 JKGE CCc1ccc([C@@H]2C(C#N)=C(N)N(c3ccccc3Cl)C3=C2C(=O)C[C@@H](c2ccccc2)C3)s1 9981982 FDUSWSMLSIIDSM-QYBDOPJKSA-N 486.040 6.662 50 10 JKGE CCCCCCOc1ccc(C(=O)NNC(=O)[C@@H](CC)Oc2ccccc2[C@H](C)CC)cc1 10683841 YQVKACHMXHSXHW-HYBUGGRVSA-N 454.611 5.778 50 10 JKGE CCCCCCOc1ccccc1C(=O)NNC(=O)CCC(=O)Nc1ccc(Cl)cc1Cl 14032675 LLODJAAYHCZTNJ-UHFFFAOYSA-N 480.392 5.132 50 10 JKGE CCCCOc1ccc(/C=C/C(=O)Oc2ccc(/C=C(/C#N)C(=O)OCC)cc2OCC)cc1 33378286 RJQOBZKDNFHTOL-JLWZUKIZSA-N 463.530 5.353 50 10 JKGE Cc1cc(C)cc(Oc2nc3c(C)cccn3c(=O)c2/C=C(/C#N)c2nc3ccccc3s2)c1 33408667 LXCGLXYXEGTQJC-RGEXLXHISA-N 464.550 6.086 50 10 JKGE CCCOc1ccc(/C=C(/C#N)C(=O)Nc2sc3c(c2C(=O)OCC)[C@H](C)CCC3)cc1 33491427 JEHJAZAGSZTGHK-VVZNPABPSA-N 452.576 5.699 50 10 JKGE N#C/C(=C\c1ccc(-n2nc(-c3ccccc3)cc2-c2ccccc2)cc1)C(=O)Nc1ccccc1 33568566 YOROUAJXBBGRJT-LHLOQNFPSA-N 466.544 6.752 50 10 JKGE CCCCOc1ccc(/C=C(/C#N)C(=O)Nc2sc(C)c(-c3ccccc3)c2C(=O)OC)cc1 33672606 JCCOCYQMOBNGQN-PGMHBOJBSA-N 474.582 6.235 50 10 JKGE Cc1ccc(OCC(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@H]3c2ccc(Cl)cc2Cl)cc1C 38655509 UAFOGWBJUJVOIW-VWLOTQADSA-N 495.362 5.813 50 10 JKGE COc1cccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4sc5ccccc5c4Cl)ccc32)c1 38687296 ZDIFFIFTPGNCOZ-QFIPXVFZSA-N 488.952 6.001 50 10 JKGE Cc1cc2oc(C(=O)Oc3ccc4c(c3)OC(N)=C(C#N)[C@H]4c3cccc(F)c3)c(C)c2cc1Cl 38700499 WARHGGXCPGEUFV-DEOSSOPVSA-N 488.902 6.280 50 10 JKGE N#C/C(=C\c1ccc(-c2cc(Cl)cc(Cl)c2)o1)c1nc(-c2cc3ccccc3oc2=O)cs1 39885053 WCZZRKHJXHDBBK-CXUHLZMHSA-N 491.355 7.547 50 10 JKGE C=CCOc1cccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4ccc(Cl)cc4Cl)ccc32)c1 40529833 ZZQYIQJITPHDGH-DEOSSOPVSA-N 493.346 5.996 50 10 JKGE Cc1cc(NC(=O)c2oc3c(c2C)/C(=N/NC(=O)C(c2ccccc2)c2ccccc2)CCC3)no1 40815587 DAAUCMLAXMJXNK-MWAVMZGNSA-N 482.540 5.125 50 10 JKGE N#C/C(=C/c1ccccc1OCc1ccc(Cl)cc1Cl)C(=O)Nc1ccccc1Cl 59117300 SYNMWLXOCGAFMD-BOPFTXTBSA-N 457.744 6.771 50 10 JKGE CCc1ccc(N2C(=O)[C@@H](Cc3ccc(C)cc3)S/C2=C(/C#N)C(=O)Nc2ccc(C)cc2)cc1 101245899 UPIHKHMETNXNLT-SJCFVWOQSA-N 481.621 5.931 50 10 JKGE CCCCCN1C(=O)C(C#N)=C(C)/C(=C\c2cn(-c3ccccc3)nc2-c2ccccc2)C1=O 101333210 PRXVYJXNSZOGJP-JJIBRWJFSA-N 450.542 5.322 50 10 JKGE CCCCCCOC(=O)c1ccccc1N/C=C(/C#N)c1nc(-c2ccc(C)cc2C)cs1 102417414 DPITZKSHMYIJKN-FXBPSFAMSA-N 459.615 7.141 50 10 JKGE COc1ccc([C@@H](Br)c2ccc(Br)cc2F)cc1Br 109834156 GITZPLKSDKILCZ-CQSZACIVSA-N 452.943 5.844 50 10 JKGE COc1cc(Br)c([C@H](Br)c2ccc(Cl)c(Cl)c2)cc1OC 109860584 DUAAPMOCIGEFLJ-OAHLLOKOSA-N 454.973 6.257 50 10 JKGE Clc1cccc([C@@H](Br)c2cc(Br)sc2Br)c1Cl 109870016 OWDYIAPGPMCYEB-SECBINFHSA-N 479.846 7.064 50 10 JKGE Clc1cnccc1CC(CBr)(CBr)c1ccccc1Br 118878880 CLWUXGXZJVHCLS-UHFFFAOYSA-N 482.441 5.768 50 10 JKGE Cc1cc(Br)c([C@H](Br)c2cc3ccccc3s2)cc1Br 128801682 KFJZGZCDDVEDFD-INIZCTEOSA-N 475.043 7.219 50 10 JKGE Cc1cc(Br)c([C@@H](Br)Cc2c(F)cccc2Cl)cc1Br 128845546 WRNISXNWWFSTIL-ZDUSSCGKSA-N 485.416 6.991 50 10 JKGE Cc1cc(Br)cc(CBr)c1OCc1cc(Br)ccc1F 167016912 YPJHAWIXJOVXQF-UHFFFAOYSA-N 466.970 6.133 50 10 JKGE O=C(N/N=C/c1ccc(Cl)c([N+](=O)[O-])c1)c1ccc2[nH]c(-c3ccccc3Cl)nc2c1 169926749 NFLUUVHSORFAHY-BHGWPJFGSA-N 454.273 5.209 50 10 JKGE COc1cc(/C=C(/C#N)C(=O)NCc2ccccc2)ccc1OC(=O)c1ccc(-c2ccccc2)cc1 206394179 UXXYPAWMMNBMJP-IMRQLAEWSA-N 488.543 5.805 50 10 JKGE CCOc1ccc([C@@H](Br)c2ccc(C)c(Br)c2)cc1Br 228997152 FGLNQQFXDIRNRZ-INIZCTEOSA-N 463.007 6.403 50 10 JKGE Brc1ccc([C@@H](Br)c2csc3ccccc23)c(Br)c1 232483223 BEJVKIJDMIIDNX-OAHLLOKOSA-N 461.016 6.911 50 10 JKGE Fc1ccc(C[C@@H](Cl)c2cc(Br)ccc2I)cc1F 236156819 VIRLECNFDZASNW-LLVKDONJSA-N 457.483 5.855 50 10 JKGE CC(C)(C)c1ccc([C@H]2C[C@@H]2C(=O)NN=Cc2ccc(-c3ccc(Cl)c(Cl)c3)o2)cc1 252614888 JMTPSXFSBCCNEQ-UXHICEINSA-N 455.385 6.805 50 10 JKGE O=C(Cc1csc(Nc2cccc(C(F)(F)F)c2)n1)NN=Cc1cc(Cl)c(O)c(Cl)c1 252627099 RMDXQXAHDIIXOY-UHFFFAOYSA-N 489.306 5.611 50 10 JKGE COc1cc(C=NNC(=O)[C@@H]2[C@H]3CCCC[C@@]32C)ccc1OCc1ccc(Br)cc1 254486570 HKLUFKGORBVYLG-UCFCWBNQSA-N 471.395 5.313 50 10 JKGE O=C(Nc1ccc(I)cc1Br)c1cccc(CCl)c1 302254089 CSGACHRCPKGXJX-UHFFFAOYSA-N 450.501 5.045 50 10 JKGE Cc1cccc(Br)c1[C@@H](Br)c1cc(Cl)c(Br)s1 310338370 NIDGSKVBWXVSDU-NSHDSACASA-N 459.428 6.719 50 10 JKGE C[C@@H]([C@@H]1CCN(Cc2ccccc2)C1)n1c(CCl)nc2cc(F)c(Br)cc21 380777066 SXGHXCYPTNAPCG-GOEBONIOSA-N 450.783 5.760 50 10 JKGE Cc1ccccc1C(CBr)(CBr)Cc1ccsc1Br 388737229 HONOAFPCGRYSNX-UHFFFAOYSA-N 467.064 6.089 50 10 JKGE Cn1cc(Br)c([C@@H](Br)c2scc(C(F)(F)F)c2Br)n1 693124085 VPMPOCVYOJMCIS-SSDOTTSWSA-N 482.945 5.510 50 10 JKGE Fc1cc(Br)cc(COc2c(F)cc(Br)cc2CBr)c1 715828984 QUOHMQBVPGZPGM-UHFFFAOYSA-N 470.933 5.964 50 10 JKGE CC1(C)[C@@H](n2c(CCl)nc3cc(I)ccc32)C[C@H]1OCc1ccccc1 718056014 PBZIVIJNLNXUDU-RBUKOAKNSA-N 480.777 5.936 50 10 JKGE COc1cc(/C=C\C(=O)Cl)cc(Br)c1OCc1ccc(Br)cc1 1081475952 WGMBJALGVDABGZ-DAXSKMNVSA-N 460.549 5.578 50 10 JKGE O=C(NN=C(/C=C\c1ccccc1)/C=C\c1ccccc1)c1cccc(I)c1 1083946202 RMFRCWOFIFROFC-RYOQUFEFSA-N 478.333 5.804 50 10 JKGE O=C(COc1ccc(Cl)cc1)NN=Cc1ccc(Sc2nc3ccccc3s2)c([N+](=O)[O-])c1 1084007630 WLBNVFMAEMNVSN-UHFFFAOYSA-N 498.973 5.538 50 10 JKGE N#C/C(=C/c1cc(Br)ccc1OCc1ccc(Cl)cc1)C(=O)Nc1ccccc1 1084543493 ACUUAQLXHMVUMY-PDGQHHTCSA-N 467.750 6.227 50 10 JKGE Cc1ccccc1C(=O)NN=C1CCCc2oc(C(=O)NN(c3ccccc3)c3ccccc3)c(C)c21 1772743894 NEVJCTDVRKUERJ-UHFFFAOYSA-N 492.579 5.850 50 10 JKGE N#CSc1ccc(NC(=O)Cc2noc3c(Br)cc(Br)cc23)cc1 1859708081 IRLWCEZGFUNYCS-UHFFFAOYSA-N 467.142 5.107 50 10 JKGE COc1ccc2c(=O)c(-c3ccc(OC)c(OC)c3)c(C(=O)Nc3ccc(SC#N)cc3)oc2c1 1859765572 GTEBIYFCSKRRAF-UHFFFAOYSA-N 488.521 5.311 50 10 JKGE N#CC1=C(N)Oc2c(c(C(F)(F)F)nn2-c2cccc3ccccc23)[C@H]1c1cccc2ccccc12 1865682643 UIWDLEOLEAJOOW-QHCPKHFHSA-N 482.465 6.416 50 10 JKGE Cc1ccc([C@H]2C(C#N)=C(N)Oc3c2c(-c2ccccc2)nn3-c2ccc(Br)cc2)cc1 1865685429 IMAXFUIBMXPGQM-QFIPXVFZSA-N 483.369 5.828 50 10 JKGE Cc1ccc([C@@H]2C(C#N)=C(N)Oc3c2c(-c2ccccc2)nn3Cc2ccc(Cl)cc2)cc1 1865686380 UOGRKZBWSSVOAW-HSZRJFAPSA-N 452.945 5.778 50 10 JKGE CCCc1nn(-c2ccc(Cl)c(Cl)c2)c2c1[C@@H](c1cccc(OCC)c1)C(C#N)=C(N)O2 1865690188 KZUPIXLLPHBNRN-NRFANRHFSA-N 469.372 5.748 50 10 JKGE CCc1ccc([C@H]2C(C#N)=C(N)Oc3c2c(-c2ccccc2)nn3-c2ccc(Cl)cc2)cc1 1865709612 YHZPUZPDKLPNHD-QHCPKHFHSA-N 452.945 5.973 50 10 JKGE COc1ccc(-c2nn(Cc3ccccc3Cl)c3c2[C@H](c2ccccc2OC)C(C#N)=C(N)O3)cc1 1865709929 KGLBEDQCXGZROE-XMMPIXPASA-N 498.970 5.487 50 10 JKGE CSCC[C@@H](NC(=O)C[C@H](C)c1ccc(Cl)cc1)C(=O)Nc1ccc(SC#N)cc1 1866717332 WTJIAQOEYIPQQM-MGPUTAFESA-N 462.040 5.283 50 10 JKGE COc1cccc(/C=C(\C#N)c2nc(O)c3ccccc3n2)c1OCc1ccc(Cl)c(Cl)c1 1872726795 LEBCNJDWLQFUJI-SFQUDFHCSA-N 478.335 6.294 50 10 JKGE COC(=O)c1ccc2c(O)nc(/C(C#N)=C/c3cccc(OCc4cccc(Cl)c4)c3)nc2c1 1872727782 ZOFXPEYDIUPJOO-VXLYETTFSA-N 471.900 5.419 50 10 JKGE CCc1ccc(OCCC/C(O)=C(\C#N)c2nc(-c3ccc(Cl)cc3Cl)cs2)cc1 1872744969 RGGBQEATHYEVBU-QOCHGBHMSA-N 459.398 7.331 50 10 JKGE COc1ccc(/C=C(C(/O)=C(\C#N)c2nc(-c3ccc(OC)cc3)cs2)\c2ccccc2)cc1 1872745851 GMYXXQRCXIDKQH-GEHATIBWSA-N 466.562 6.861 50 10 JKGE CCCCc1ccc(N2C[C@H](/C(O)=C(\C#N)c3nc(-c4ccc(C)cc4C)cs3)CC2=O)cc1 1872748551 BXOIELDMEBTPQI-LQUAGZSJSA-N 471.626 6.615 50 10 JKGE CCCOc1ccc(-c2csc(/C(C#N)=C(\O)[C@H](C)Oc3ccc(Cl)cc3Cl)n2)cc1 1872750086 VYTICDNDFCVWJL-RJHYDAJSSA-N 475.397 7.166 50 10 JKGE COc1ccc(-c2csc(/C(C#N)=C(\O)[C@@H](C(C)C)N3C(=O)c4ccccc4C3=O)n2)cc1F 1872752536 IHWFNLAMHIRSBP-DGNXNODXSA-N 477.517 5.071 50 10 JKGE CCCOc1ccc(-c2csc(/C(C#N)=C/c3cc(Cl)c(O)c(OC)c3)n2)cc1OCCC 1872790218 SLXHFNDVCVYZSA-VCHYOVAHSA-N 485.005 6.819 50 10 JKGE FC1(F)C[C@H]1CCCOc1c(Br)cc(Br)cc1CBr 1885568321 STOCXGMASUOGHJ-SECBINFHSA-N 462.954 5.921 50 10 JKGE Cn1cnc(Br)c1[C@@H](Br)c1sc(Br)cc1Br 1900440248 IGEQPQDPOHWTIM-ZCFIWIBFSA-N 493.844 5.253 50 10 JKGE O=C(c1cccc(I)c1)N(Cc1ccccc1)[C@H](CBr)C1CC1 1915313453 NULNMMMXSOXDIC-GOSISDBHSA-N 484.175 5.107 50 10 JKGE Clc1ccc(I)c(CN2[C@H]3CCC[C@H]2CC(Br)C3)c1 1922798971 YMIKFCGJRJUECE-KBPBESRZSA-N 454.577 5.225 50 10 JKGE Cc1c(Br)sc([C@@H](Cl)c2csc(C(F)(F)F)c2)c1Br 1922895521 WSTQODFHDOBQFP-QMMMGPOBSA-N 454.558 6.990 50 10 JKGE Cc1csc([C@H](Br)c2sc(Br)cc2Br)c1Cl 1922929592 KMMNQAXYHDEIAN-SSDOTTSWSA-N 465.457 6.781 50 10 JKGE Cc1c(Br)sc([C@H](Br)[C@@]23CCCC[C@H]2OCC3)c1Br 1922930620 UOQWKIVYWQSBSR-LJWDBELGSA-N 473.068 6.367 50 10 JKGE CCC1([C@H](Cl)c2c(Br)sc(Br)c2Br)CCCC1 1924583242 HTZBLVOJVWZGLE-SECBINFHSA-N 465.476 7.286 50 10 JKGE Brc1cc([C@@H](Br)c2csnc2Br)c(Br)s1 1925226255 RPRLOXHGVLNBCB-ZCFIWIBFSA-N 496.869 5.976 50 10 JKGE BrC[C@@H]1CCC[C@@H](c2ccc(OCc3ccccc3)c(OCc3ccccc3)c2)O1 1989166074 GWBPWSRZTSSMEC-ZEQRLZLVSA-N 467.403 6.850 50 10 JKGE FC1(F)[C@@H]2[C@@H]([C@@H](Br)c3cc(Br)c(Br)s3)CC[C@H]21 1996484394 JWPWQDCHOANBOJ-TYPSWONNSA-N 450.968 6.000 50 10 JKGE C[C@@H]1C[C@H](C[C@@H](Br)c2c(Br)sc(Br)c2Cl)CO1 1997172517 DHMOCJRRXSDJDO-FSDSQADBSA-N 467.448 6.178 50 10 JKGE CN(CCN(Cc1ccccc1)CC1(c2nc(CCl)cs2)CCC1)Cc1ccccc1 2001582462 LAXBBJFBUZPGJR-UHFFFAOYSA-N 454.083 5.938 50 10 JKGE CN(c1cc(Br)cc(F)c1CBr)[C@@H]1CC[C@@H]1OCc1ccccc1 2004047642 RMASBWUSXZOYEU-MJGOQNOKSA-N 457.181 5.667 50 10 JKGE N#CC(=Cc1cn(-c2ccccc2)nc1-c1ccc2c(c1)CCC2)S(=O)(=O)c1ccccc1 2040751005 IHFQDAOCCZNPSR-UHFFFAOYSA-N 451.551 5.366 50 10 JKGE COc1sc([C@H](Cl)c2cc(I)ccc2F)cc1Br 2050462249 BIEJMTXQYXPDMQ-LLVKDONJSA-N 461.521 5.591 50 10 JKGE CC1(C)OCCC[C@H]1[C@H](Cl)c1c(Br)sc(Br)c1Br 2066883023 HRJRHBHSKYVVER-RCOVLWMOSA-N 481.475 6.521 50 10 JKGE CC(C)(C)OC(=O)N1CC[C@@]2(CCC[C@H](CI)O2)CC12CCCCC2 2074143645 CHPGFDIDLKGJCN-UZLBHIALSA-N 463.400 5.463 50 10 JKGE COc1ccc([C@H](Br)c2cc(I)sn2)c(Cl)c1Cl 2083137996 CXZNCGYLUGKCGP-VIFPVBQESA-N 478.964 5.547 50 10 JKGE Cc1c(Br)ccc([C@@H](Br)c2cc(Cl)c(Cl)s2)c1Br 2083331904 DQXXFIGAMVCHMT-LLVKDONJSA-N 493.873 7.373 50 10 JKGE Cc1cc([C@H](Br)Cc2ccccc2I)c(C)cc1Br 2087569855 LHLBMZPJFJOMQT-OAHLLOKOSA-N 494.008 6.349 50 10 JKGE FC(F)c1ccc([C@H](Br)c2c(Br)sc(Br)c2Cl)cc1 2116024707 HOPKJDUJCAVGFC-QMMMGPOBSA-N 495.408 7.348 50 10 JKGE Cn1ncc(CC(CBr)(CBr)C2CCCCC2)c1Br 2116622125 WDCXJCZOOLQUBX-UHFFFAOYSA-N 457.048 5.082 50 10 JKGE CO[C@@H]1CC[C@H]([C@H](Br)c2c(C)c(Br)cc(C)c2Br)C1 2136377573 QCTXTBHYNMNUDX-RWSFTLGLSA-N 455.028 6.080 50 10 JKGE CC1(C)C[C@@H]([C@H](Br)c2ccc(Br)cc2Br)C(C)(C)O1 2138854421 ZLCXWNRALXJXJF-WCQYABFASA-N 455.028 6.241 50 10 JKGE CC(C)Cc1ccccc1[C@@H](Br)c1cc(Br)ccc1Br 2145609770 YLNMPDCYDIRQOI-QGZVFWFLSA-N 461.035 6.894 50 10 JKGE ClCc1nc2cc(Br)c(Cl)cc2n1[C@@H]1CCCN(Cc2ccccc2)CC1 2160563932 KFTIQPIREYKRPR-MRXNPFEDSA-N 467.238 6.418 50 10 JKGE CC(C)(C)OC(=O)NC[C@H]1CC[S@](=O)(=NCC2(CBr)CCCCC2)C1(C)C 2163062417 LFYQPRHSPLWGDW-CHAGWJKLSA-N 465.498 5.123 50 10 JKGE ClCc1ccc(Br)c(Cl)c1N1CCC[C@@]2(CCN(Cc3ccccc3)C2)C1 2163315118 YKSFEVIYVQWOSI-QFIPXVFZSA-N 468.266 6.334 50 10 JKGE C[C@@H]([C@H]1CCN(Cc2ccccc2)C1)n1c(CCl)nc2cc(Cl)c(Br)cc21 2169015776 REZWXRUJVBEFMN-HOCLYGCPSA-N 467.238 6.274 50 10 JKGE Cc1cc(Br)c(C)c([C@@H](Br)c2cscc2C(F)F)c1Br 2201064423 JIOVYJPRQHWDEU-ZDUSSCGKSA-N 489.017 7.312 50 10 JKGE Cc1cc([C@H](Br)Cc2nc3ccccc3s2)ccc1I 2207103491 CKFVMWMZTHZWGY-GFCCVEGCSA-N 458.162 5.888 50 10 JKGE CCC1CCC(O[C@](C)(CI)CN(CC)C(=O)OC(C)(C)C)CC1 2217226605 UDPDABGCNIIVEA-LADRWXRNSA-N 453.405 5.423 50 10 JKGE Cc1cc(Br)c([C@H](Br)c2ncsc2Br)c(C)c1Cl 2217609313 XUJHFHSNLBRLLV-VIFPVBQESA-N 474.443 6.423 50 10 JKGE COc1cscc1[C@H](Br)c1cc(Br)c(Br)cc1F 2218599002 XTUCMEOXOYKRAZ-GFCCVEGCSA-N 458.972 5.905 50 10 JKGE Fc1cc(F)c([C@H](Br)c2cc(Br)cs2)c(F)c1Br 2220500206 SLDWTMXVSAMYEZ-SNVBAGLBSA-N 464.926 6.175 50 10 JKGE COc1ccc(Br)cc1[C@H](Br)c1sc(Br)c(C)c1C 2225849033 RBZDFIMDESJKTG-LBPRGKRZSA-N 469.036 6.383 50 10 JKGE Fc1cc(F)c([C@@H](Br)c2cccc(OCc3ccccc3)c2)c(F)c1Br 2227801082 IGCROTGSTUTQHB-SFHVURJKSA-N 486.125 6.930 50 10 JKGE CC(C)(C)[C@H](C[C@H](Br)c1cc(Br)c(Br)cc1F)C(F)F 2233978209 ZBQBHUUJZALICB-BDAKNGLRSA-N 480.988 7.104 50 10 JKGE Cc1cc(Br)c([C@H](Br)C2[C@@H]3CCCCC[C@@H]23)c(C)c1Br 2235603968 LQLJACCKERSENE-QFSBIZTOSA-N 465.067 7.091 50 10 JKGE Cc1cc(Br)c([C@H](Br)c2cc3c(cc2Br)NC(=O)C3)s1 2237634302 WJRCZDGOOSJUGQ-CYBMUJFWSA-N 480.019 5.560 50 10 JKGE Cc1c(Br)sc([C@@H](Br)[C@H]2CCC(F)(F)C2)c1Br 2252717645 CWQMPLHPWMGHSN-XPUUQOCRSA-N 452.984 6.453 50 10 JKGE CC(C)(C)OC(=O)N1CCC(CI)(OCC[C@@H]2CCCC23CC3)CC1 2255333855 UALZVALUTACJCF-INIZCTEOSA-N 463.400 5.178 50 10 JKGE CCc1cc([C@H](Cl)c2cc(Br)cc(Br)c2)sc1Br 2255990354 ZVWVUOVKGOWQRX-GFCCVEGCSA-N 473.455 6.926 50 10 JKGE Clc1cccc([C@@H](Br)Cc2cccc(Br)c2)c1Br 2256127507 MYGXOBKEIOKJAM-LBPRGKRZSA-N 453.399 6.544 50 10 JKGE CCN(C[C@](C)(CBr)OCc1cccc(Br)c1C)C(=O)OC(C)(C)C 2256398559 MIHNQSNGTQSEOS-IBGZPJMESA-N 479.253 5.685 50 10 JKGE CC(C)(C)OC(=O)N[C@H](C[S@](C)(=O)=NCCCCCCCBr)C(C)(C)C 2277449046 NYKXODUAGJBHNN-DXPJPUQTSA-N 455.503 5.369 50 10 JKGE CCn1cc(Br)c([C@@H](Cl)Cc2cc(Br)cc(Br)c2)n1 2277956226 NHIXHNRUPMYVQQ-LBPRGKRZSA-N 471.418 5.713 50 10 JKGE Brc1cc(Br)cc(C[C@@H](Br)CC[C@H]2CCCCO2)c1 2277961109 PFWMUHCFVOOUMH-SWLSCSKDSA-N 455.028 5.867 50 10 JKGE Brc1cc(Br)cc(C[C@@H](Br)C2CC3(CCOC3)C2)c1 2277963038 OYAGJXZVVPTCPA-XGTXGMFGSA-N 453.012 5.334 50 10 JKGE CCOc1ccc(Br)cc1[C@@H](Br)c1cccc(Cl)c1Br 2283197509 IUJPXOVBNWBAKB-AWEZNQCLSA-N 483.425 6.748 50 10 JKGE COc1ccc([C@H](Br)c2scc3c2CCCC3)cc1I 2284995552 BNEDRWJVQYYTJT-HNNXBMFYSA-N 463.178 5.724 50 10 JKGE COc1ccc([C@H](Br)[C@@]2(C)CCCCC2(F)F)cc1I 2285011114 SPGJKHZPJIOVPO-UONOGXRCSA-N 459.112 5.951 50 10 JKGE O=C(c1cc(Br)sc1Br)N1CCC2(CC[C@H](Br)C2)CC1 2287950012 PUZRRMVDBBXQNR-VIFPVBQESA-N 486.067 5.443 50 10 JKGE CC[C@H](C)c1ccc(OCCOc2ccc(C=C(C#N)C(=O)Nc3cccc(C)c3)cc2OC)cc1 2294593241 MTSQJKIFNRYAMD-QFIPXVFZSA-N 484.596 6.521 50 10 JKGE N#CC(=Cc1ccc([N+](=O)[O-])cc1)C(=O)Nc1ncc(Cc2cccc(Cl)c2Cl)s1 2296825659 QXRFCYQGPBSAKX-UHFFFAOYSA-N 459.314 5.495 50 10 JKGE Cc1ccc2nc(C(C#N)=Cc3ccc(Oc4ccc(C(F)(F)F)cc4[N+](=O)[O-])cc3)[nH]c2c1 2297369684 XLACTZXXNUXZGQ-UHFFFAOYSA-N 464.403 6.655 50 10 JKGE C[C@@H]1CCC[C@H]([C@@H](Br)c2cc(Br)ccc2OCc2ccccc2)C1 2299522427 KYMOSWAJKCODBI-LDBYXDLTSA-N 452.230 7.290 50 10 JKGE CCCc1sc(Br)cc1[C@@H](Br)c1cscc1OCc1ccccc1 2300648662 LALCEKUZKALXRF-LJQANCHMSA-N 486.294 7.588 50 10 JKGE CCOc1cc(C=C(C#N)C(=O)Nc2ccc(C)cc2)cc(Cl)c1OCc1ccc(C)cc1 2313568398 RTHAYNCBMONELF-UHFFFAOYSA-N 460.961 6.480 50 10 JKGE C=CCc1cc(C=C(C#N)C(=O)Nc2ccc(C)cc2)cc(OC)c1OCc1ccc([N+](=O)[O-])cc1 2313568560 URCSODMRLZXNPJ-UHFFFAOYSA-N 483.524 5.765 50 10 JKGE Fc1ccccc1C[C@H](Br)c1cc(Br)ccc1OCc1ccccc1 2314448289 GPRHTSDGVCWHHC-IBGZPJMESA-N 464.172 6.846 50 10 JKGE Brc1ccc(OCc2ccccc2)c([C@H](Br)C2C[C@H]3CCC[C@@H]3C2)c1 2314456241 VLWLZNUPNGNNNU-DRSNIGMVSA-N 464.241 7.290 50 10 JKGE COc1ccc(N2C(=O)[C@H](Cc3ccccc3)SC2=C(C#N)C(=O)Nc2ccc(C)cc2)cc1 2314592272 PNSFKKVQEYSKHE-DEOSSOPVSA-N 469.566 5.069 50 10 JKGE CC(C)(C)[C@@H](CBr)COCc1cc(I)ccc1Br 2318981826 GTKNZTCRJBBMNB-NSHDSACASA-N 490.017 5.628 50 10 JKGE COc1ccc(C(C)(C)C)cc1-c1csc(C(C#N)=C(O)CCN2C(=O)c3ccccc3C2=O)n1 2331349325 KRHVTGPJLVJZQF-UHFFFAOYSA-N 487.581 5.595 50 10 JKGE CCOc1ccc(C=CC(O)=C(C#N)c2nc(-c3ccc(OC)c(OC)c3OC)cs2)cc1OC 2331412530 GKENRDCFNNQXNV-UHFFFAOYSA-N 494.569 5.749 50 10 JKGE COc1cc(C)c(-c2csc(C(C#N)=Cc3ccc(OC(=O)c4ccccc4)c(OC)c3)n2)cc1C 2331485632 NEJPKXGFOLCYHL-UHFFFAOYSA-N 496.588 6.728 50 10 JKGE Brc1cc(OCc2ccccc2)ccc1[C@H](Br)[C@H]1CCCCC12CCC2 2336040361 FCFWXWSALKEYKW-IRLDBZIGSA-N 478.268 7.825 50 10 JKGE CC1(C)C[C@H]([C@@H](Br)c2cc(Br)ccc2OCc2ccccc2)C(C)(C)O1 2336050532 LGBXYGBKVSGDIA-QUCCMNQESA-N 482.256 7.058 50 10 JKGE COCC1([C@H](Br)c2cc(Br)ccc2OCc2ccccc2)CCCCC1 2336077752 KPUGFIDJCMPPCO-OAQYLSRUSA-N 482.256 7.061 50 10 JKGE Cc1nc(Br)c([C@@H](Br)c2cc(F)c(Br)cc2F)n1C 2337319573 OTPMLFBVQNTQOV-JTQLQIEISA-N 458.926 5.016 50 10 JKGE Clc1ccc(C[C@@H]2CCCCCCC[C@@H]2Br)c(I)c1 2341050044 LUINWLBMJILEEZ-WFASDCNBSA-N 455.605 6.611 50 10 JKGE Cc1cc(Br)c(C)c([C@@H](Br)[C@H]2CCC[C@@H](C)O2)c1Br 2341256974 WSRFJVYKMOJASE-BCQZVRRWSA-N 455.028 6.222 50 10 JKGE ClCc1cc(OCc2cc(I)ccc2Br)c(Cl)cn1 2341552156 LDHLCNJCCCJBML-UHFFFAOYSA-N 472.935 5.420 50 10 JKGE CCOc1ccc([C@@H](Br)c2csc(C)c2Br)c(Br)c1 2343555758 HAPZGSRULPFHBR-CQSZACIVSA-N 469.036 6.465 50 10 JKGE Cl[C@@H]1CCN(Cc2ccc(I)c(Br)c2)C2(CCC2)C1 2349860667 VMEOOYUMHPXLAC-GFCCVEGCSA-N 454.577 5.180 50 10 JKGE BrCc1cc(Br)cc(Br)c1OC[C@@H]1CC[C@H]2C[C@@H]1CO2 2359098630 OWMINWNLEUEGBR-NDMJEZRESA-N 469.011 5.300 50 10 JKGE Brc1ccc(OCc2ccccc2)c([C@H](Br)C2CC3(C2)CC2(CCC2)C3)c1 2361201605 UQFMLYIKHBXMCS-JOCHJYFZSA-N 490.279 7.825 50 10 JKGE CC1(C)OCCO[C@@H]1[C@@H](Cl)c1c(Cl)cc(Br)c(F)c1Br 2362223936 PBANCWUOIAKUPR-CMPLNLGQSA-N 450.957 5.478 50 10 JKGE Fc1c(Br)cc(Cl)c([C@@H](Cl)[C@H]2C(F)(F)C23CCC3)c1Br 2362238345 VGZCCZBPBKYYHB-MWLCHTKSSA-N 452.923 6.719 50 10 JKGE Brc1cc(Br)cc(C[C@H](Br)[C@@H]2C[C@H]3CCC[C@H]2CC3)c1 2364129405 HYHPRSPHVYDJRU-BHADISHBSA-N 465.067 6.734 50 10 JKGE O=[N+]([O-])c1cc(Oc2cc(Br)cc(I)c2)ccc1CCl 2364259113 AEDCKRLLLOVECJ-UHFFFAOYSA-N 468.472 5.493 50 10 JKGE Cc1cc(Br)c(F)c(Br)c1[C@H](Br)[C@H]1OCCOC1(C)C 2365225730 MPLBYTKYUHSARQ-WCQYABFASA-N 474.990 5.289 50 10 JKGE Cc1ccc(N(C)Cc2c(Br)cccc2Br)c(CBr)n1 2366161219 NVRIHHBPZWPLDW-UHFFFAOYSA-N 463.011 5.446 50 10 JKGE Fc1cc(CCl)cc(F)c1OCc1cc(I)ccc1Br 2367517347 KZZHTLGBOUSGEO-UHFFFAOYSA-N 473.482 5.650 50 10 JKGE FC(F)(F)[C@H]1[C@H](Br)CCCN1Cc1ccc(Br)cc1Br 2370303598 NYFQTKOQDRTXSR-ZYHUDNBSSA-N 479.960 5.502 50 10 JKGE N#C/C(=C\c1ccccc1OCc1c(Cl)cccc1Cl)C(=O)c1cccc(C(F)(F)F)c1 12367188 QHIDFABLBQKAJK-GZTJUZNOSA-N 476.281 7.381 50 10 JKGE Cc1ccc(NC(=O)/C(C#N)=C2/S[C@@H](Cc3ccccc3C)C(=O)N2c2ccc(C)cc2)cc1 33498873 ZNLHRHBTFXMODL-CHTIKVTKSA-N 467.594 5.677 50 10 JKGE Cc1ccc(C(=O)Nc2cccc(/C=C(/C#N)S(=O)(=O)c3ccc(Br)cc3)c2)cc1 35684665 ICWROCBWLPNZNM-HMAPJEAMSA-N 481.371 5.348 50 10 JKGE O=C(Nc1c(Br)cc(Br)cc1Br)c1ccc(CCl)cc1 37343268 RKWQPLJQZBWTCX-UHFFFAOYSA-N 482.397 5.965 50 10 JKGE CC1=C(C#N)C(=O)N(Cc2ccc(C)cc2)C(=O)/C1=C/c1ccc(OCc2ccccc2F)cc1 38608467 XFPIIUHCBGNODK-MFKUBSTISA-N 466.512 5.506 50 10 JKGE CCOc1ccccc1[C@@H]1C(C#N)=C(N)Oc2cc(OC(=O)c3cc([N+](=O)[O-])ccc3Cl)ccc21 38650582 JFBHEEJOQMCEIV-QHCPKHFHSA-N 491.887 5.084 50 10 JKGE Cc1ccccc1C(=O)Oc1ccc2c(c1)OC(N)=C(C#N)[C@@H]2c1cccc(Br)c1 38651445 LCJTYWPHHHRXRB-JOCHJYFZSA-N 461.315 5.195 50 10 JKGE N#CC1=C(N)Oc2cc(OC(=O)c3ccc(Cl)cc3Cl)ccc2[C@@H]1c1cccc([N+](=O)[O-])c1 38653665 ZUNANGKYJRUGDW-NRFANRHFSA-N 482.279 5.339 50 10 JKGE CCCCOc1cccc(C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@H]3c2ccc(OCC)cc2)c1 38685898 AFPIQHFSFOVDAP-MHZLTWQESA-N 484.552 5.702 50 10 JKGE N#C/C(=C\c1ccc(OC(=O)/C=C/c2ccccc2)cc1)c1nc(-c2ccc3ccccc3c2)cs1 39868038 DXIFLRJHZQCULS-KKKYSEFRSA-N 484.580 7.646 50 10 JKGE COc1cc(/C=N/NC(=O)COc2ccc(-c3ccccc3)cc2)ccc1OCc1ccccc1C 40911553 DOMZXUXSFNEGKJ-ZCTHSVRISA-N 480.564 5.779 50 10 JKGE COc1cc(OC)cc(C(=O)N/N=C/c2cn(-c3ccccc3)nc2C23CC4CC(CC(C4)C2)C3)c1 59120152 GAOKSENNZGPRRK-OCSSWDANSA-N 484.600 5.121 50 10 JKGE O=C(N/N=C/c1c(Cl)cccc1Cl)c1ccc(OCc2ccc(Br)cc2)cc1 59499258 RMURJFQVTZNBHB-BRJLIKDPSA-N 478.173 6.099 50 10 JKGE Brc1ccc([C@H](Br)c2cccc(I)c2)cc1 71094732 DHUGCYPBYNPRDJ-ZDUSSCGKSA-N 451.927 5.538 50 10 JKGE CCCCCCCCCCCCCC(=O)NNC(=O)CCC(=O)Nc1ccccc1Cl 100443004 CHSWZHLMKZXXSR-UHFFFAOYSA-N 452.039 5.907 50 10 JKGE N#C/C(C(=O)NCCc1ccccc1)=C1\S[C@H](Cc2ccccc2)C(=O)N1c1ccc(Cl)cc1 102974545 KTLGVDOVRJBEPI-GUNDDFSMSA-N 488.012 5.125 50 10 JKGE FC(F)(F)c1ccc(C[C@@H](Br)c2cc(Br)ccc2Br)cc1 109844800 ZQVNXJFHKKGFNL-CQSZACIVSA-N 486.951 6.909 50 10 JKGE Cc1cc([C@@H](Br)c2c(F)cc(Br)cc2F)c(C)cc1Br 127659804 DPSTUWZLWDDENQ-OAHLLOKOSA-N 468.961 6.591 50 10 JKGE Cc1cc(Br)c([C@@H](Br)c2cccc3ccccc23)cc1Br 128826225 QUDDJPCKLJCKHH-SFHVURJKSA-N 469.014 7.158 50 10 JKGE Brc1ccc(C[C@H](Br)c2ccc3cc(Br)ccc3c2)cc1 159702028 SRRFNVMRZIVRGA-SFHVURJKSA-N 469.014 7.044 50 10 JKGE CC(C)(C)c1ccc(N/C=C(/C#N)C(=O)N2CCN(C(c3ccccc3)c3ccccc3)CC2)cc1 216502808 NWGJCWJGZZDGKO-RWEWTDSWSA-N 478.640 5.737 50 10 JKGE CCC(CC)[C@H](Br)CNC(=O)c1ccc(Br)cc1Br 230657713 UFFCJUDWPUDUMA-CYBMUJFWSA-N 456.016 5.141 50 10 JKGE Cc1ccc(C)n1-c1ccc(C(=O)NN=Cc2ccc(OC(=O)c3cccc4ccccc34)cc2)cc1 254734556 HTQMLBQEXMPWRK-UHFFFAOYSA-N 487.559 6.230 50 10 JKGE COc1ccccc1/C=C/C=NNC(=O)c1cc(-c2ccc(OCc3ccccc3)cc2)n[nH]1 254741950 GWGVJSQNTXMJST-TZCIOPCRSA-N 452.514 5.093 50 10 JKGE 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 257512255 PIOYBULRRJNPSG-BYZPPURMSA-N 454.695 6.837 50 10 JKGE endogenous,in-man Fc1cc(Oc2cc(Br)ccc2CBr)c(Cl)cc1Br 311625614 JUPYLCMTCBGOLE-UHFFFAOYSA-N 473.361 6.691 50 10 JKGE CC(C)(C)OC(=O)NCCN1c2ccccc2CC[C@H]1c1ccccc1CO[Si](C)(C)C(C)(C)C 616596301 QJHXWBXMRWJJNE-SANMLTNESA-N 496.768 7.227 50 10 JKGE C[C@@H]1CN(Cc2ccccc2)C[C@H]1Cn1c(CCl)nc2cc(Br)c(F)cc21 708573335 IMYVYOKNFRMSNV-ZBFHGGJFSA-N 450.783 5.445 50 10 JKGE Cc1cc(C=NNC(=O)C(=O)Nc2ccccc2Cl)c(C)n1-c1cc(Cl)ccc1Cl 725426101 JNXCXCVCEFQSQF-UHFFFAOYSA-N 463.752 5.143 50 10 JKGE CCOc1cc(C=NNC(=O)CC[C@@H](O)c2ccccc2)cc(Cl)c1OCc1ccc(C)cc1 1084101383 BEOQQGYAGRKSMP-XMMPIXPASA-N 480.992 5.590 50 10 JKGE COc1cccc(C(CSc2nc3ccccc3s2)=NNC(=O)c2cccc(Cl)c2)c1 1084130532 SORCIECOMBOCPQ-UHFFFAOYSA-N 468.003 5.885 50 10 JKGE CCOc1ccc(C(=O)NN=Cc2c(OCc3ccc(Cl)cc3)ccc3ccccc23)cc1 1084172817 RYKYMNGAJJOTIA-UHFFFAOYSA-N 458.945 6.235 50 10 JKGE Cc1cccc(C)c1-n1c(C)cc(C=NNC(=O)c2ccc(CSc3ccccc3)cc2)c1C 1084202902 JTIBOLQTUBLSKN-UHFFFAOYSA-N 467.638 6.767 50 10 JKGE CCOc1ccc([C@H](O)CCC(=O)NN=Cc2ccc(OCc3ccccc3Cl)c(OC)c2)cc1 1084322897 GEXSOKNDUAQADM-XMMPIXPASA-N 496.991 5.290 50 10 JKGE COc1cc(/C=C(\C#N)c2nc3cc(C)c(C)cc3[nH]2)ccc1OCc1cccc(C(=O)O)c1 1084561960 DAODFBRKGHTDRZ-SRZZPIQSSA-N 453.498 5.530 50 10 JKGE CC(CC(C)C)=NNC(=O)COc1ccc2cc(Br)ccc2c1Br 1084637560 BDLIXTBEWQXFOC-UHFFFAOYSA-N 456.178 5.282 50 10 JKGE COc1ccc(-c2nn(Cc3cc(C)ccc3C)c3c2[C@@H](c2cccc(O)c2)C(C#N)=C(N)O3)cc1 1865681045 CXKFCVMVECTPAQ-VWLOTQADSA-N 478.552 5.148 50 10 JKGE CCCCOc1ccc([C@@H]2C(C#N)=C(N)Oc3c2c(-c2ccccc2)nn3Cc2cccc(F)c2)cc1 1865690654 YEVBFZXRFKTTKX-AREMUKBSSA-N 494.570 6.135 50 10 JKGE CCOc1c(OC)cccc1[C@H]1C(C#N)=C(N)Oc2c1c(C(F)(F)F)nn2Cc1cc(C)ccc1C 1865694621 ZWPLXOWZIINTQK-FQEVSTJZSA-N 498.505 5.193 50 10 JKGE CCCCCOc1ccc([C@H]2C(C#N)=C(N)Oc3c2c(C)nn3Cc2cc(C)ccc2C)cc1OC 1865695105 KBKCBOMOMNPZCD-MHZLTWQESA-N 486.616 5.652 50 10 JKGE COc1cc([C@H]2C(C#N)=C(N)Oc3c2c(-c2ccccc2)nn3Cc2ccc(C)cc2)cc(Cl)c1O 1865706985 KNCXNMMFBHXGKI-QHCPKHFHSA-N 498.970 5.493 50 10 JKGE N#CC1=C(N)Oc2c(c(C(F)(F)F)nn2-c2cccc3ccccc23)[C@H]1c1ccccc1[N+](=O)[O-] 1865710240 RUGYBGJSRVOTMT-IBGZPJMESA-N 477.402 5.171 50 10 JKGE CCCC[C@H](NC(=O)Cc1nc(-c2cccc(OC)c2)oc1C)C(=O)Nc1ccc(SC#N)cc1 1866674523 RPNRKKMZHWWZBP-QFIPXVFZSA-N 492.601 5.088 50 10 JKGE CC[C@@H](NC(=O)C[C@@H](c1ccc(OC)c(C)c1)C(C)C)C(=O)Nc1ccc(SC#N)cc1 1866771789 NXWKNJBARLBEHA-FGZHOGPDSA-N 453.608 5.240 50 10 JKGE COCCCN1[C@@H](C)CN(c2cc(Nc3ccc(SC#N)cc3)nc(C(C)(C)C)n2)C[C@@H]1C 1868342108 KQKCOWXYVPFSLI-OALUTQOASA-N 468.671 5.026 50 10 JKGE CN(C)c1ccc(/C(O)=C(\C#N)c2nc(-c3ccc(Oc4ccccc4)cc3)cs2)cc1[N+](=O)[O-] 1872753923 UXBNLKOZVGMBCA-DAFNUICNSA-N 484.537 6.526 50 10 JKGE CC(C)(C)c1ccc(OCCC/C(O)=C(\C#N)c2nc(-c3cc(Cl)ccc3Cl)cs2)cc1 1872758846 SWDMOTKGBNOPOQ-ATJXCDBQSA-N 487.452 8.066 50 10 JKGE COc1cc(/C=C(\C#N)c2nc(-c3ccccc3OC)cs2)ccc1OCCc1ccccc1 1872784698 WIWRZXYLGJRTFM-CJLVFECKSA-N 468.578 6.513 50 10 JKGE CCCOc1c(Br)cc(/C=C(\C#N)c2nc(-c3ccc(C)cc3C)cs2)cc1OC 1872790382 FDVPVHVZFNGTSR-VCHYOVAHSA-N 483.431 7.051 50 10 JKGE Cc1ccc(-c2csc(/C(C#N)=C/c3ccccc3OCc3ccccc3Cl)n2)c(C)c1 1872790451 JKSLBGWGQYUORH-HYARGMPZSA-N 456.998 7.724 50 10 JKGE CCc1nn(C)c([C@H](Br)Cc2cccc(Br)c2)c1Br 1877189538 AXFYWKCPLKYUKM-LLVKDONJSA-N 451.000 5.186 50 10 JKGE CC(C)(O[C@@](C)(CI)c1ccccc1Br)C(F)(F)F 1879196321 FZOJUXIJZCSKKH-LBPRGKRZSA-N 451.064 5.457 50 10 JKGE Clc1ccc([C@H](Br)c2ccc(OCc3ccccc3)cc2Br)s1 1899862904 VISCGRMGFFLRHT-GOSISDBHSA-N 472.629 7.227 50 10 JKGE Cc1c(Br)sc([C@@H](Br)c2cc3c(s2)CCCC3)c1Br 1922881783 JHZJQMQNMRTSOE-LBPRGKRZSA-N 485.104 7.006 50 10 JKGE C[C@@H](CC(F)(F)F)[C@@H](Br)c1c(Br)sc(Br)c1Cl 1923048063 FDIBNBOJQSBKPX-WVZVXSGGSA-N 479.381 6.951 50 10 JKGE Clc1c(Br)sc(Br)c1[C@H](Cl)c1cccc2c1CCCC2 1923048451 HFRCSPUMKCYOMM-GFCCVEGCSA-N 455.042 7.134 50 10 JKGE C[C@H]1COc2ccc([C@H](Br)c3ccc(Br)cc3Br)cc21 1925758711 YEMVWOKMEBGZAX-FVMDXXJSSA-N 460.991 6.192 50 10 JKGE Brc1cc([C@H](Br)c2sncc2Br)sc1Br 1928068743 QLQSBULTRINFKH-LURJTMIESA-N 496.869 5.976 50 10 JKGE CCc1cc(Br)c([C@H](Br)c2cccc(OCc3ccccc3)c2)s1 1942102994 ZUHAXSPCQBKNQA-LJQANCHMSA-N 466.238 7.136 50 10 JKGE CC(C)[C@@H](Br)C(=O)Nc1cc(Br)c(Br)c(Br)c1 1946446392 YCTLJBJJBGUZOW-SECBINFHSA-N 492.831 5.332 50 10 JKGE Clc1c(Br)sc(Br)c1[C@@H](Br)C1(Br)CC1 1956592471 BNLROHIFTWBQMI-RXMQYKEDSA-N 488.264 6.290 50 10 JKGE O=C(c1c(Br)c(Br)cc(Br)c1Br)[C@@H]1C[C@H]1Cl 1995046860 IXIXPWCXGDSEJU-AWFVSMACSA-N 496.218 5.547 50 10 JKGE FC1(F)CC[C@@H]2[C@H]([C@H](Br)c3cc(Br)c(Br)s3)[C@H]21 2004115682 SFTZIKCTZNGFKY-CYAXSCHPSA-N 450.968 6.000 50 10 JKGE Cc1c([C@H](Cl)c2cc(Br)sc2Br)c(Br)nn1C 2014560111 KAWLHKWHCITGRE-MRVPVSSYSA-N 463.420 5.406 50 10 JKGE Fc1cc(Br)c([C@@H](Br)[C@H]2C[C@H](Br)C2)c(F)c1Cl 2023377404 LVMXYFGYOMBFBQ-PJPYAQQDSA-N 453.346 5.990 50 10 JKGE Cn1cc([C@H](Br)c2ccc(Br)cc2Br)c(Br)n1 2024295032 OGTUSDYRZCMKPW-SNVBAGLBSA-N 487.815 5.192 50 10 JKGE CC[C@H]1CN(C[C@H](CBr)C(C)(C)C)[C@H](CC)CN1C(=O)OCc1ccccc1 2044627447 SOXREKSGOUSGFA-HBMCJLEFSA-N 453.465 5.555 50 10 JKGE Brc1cc([C@H](Br)c2ccc3nsnc3c2)sc1Br 2057041050 GZKRYHQYHQANMM-SNVBAGLBSA-N 469.021 5.762 50 10 JKGE CC(C)(C)OC(=O)NCCSSCCN[C@@H]1CCC[C@H]1[C@@H]1CCCN1C(=O)OC(C)(C)C 2061265753 LKPDFNVVLDJKTN-QRVBRYPASA-N 489.748 5.050 50 10 JKGE Cn1cc(Br)c(COc2c(Br)cc(Cl)cc2CBr)n1 2087325963 XBGFZQDVHOSUKA-UHFFFAOYSA-N 473.390 5.072 50 10 JKGE Clc1cc([C@H](Br)c2ccc(CC3CC3)s2)ccc1I 2087639092 AROWXEVHRORNIM-HNNXBMFYSA-N 467.597 6.443 50 10 JKGE FC1(F)CCN(Cc2cccc(Br)c2Br)CC[C@H]1Br 2093611595 VFHRRSMVROWTHV-LLVKDONJSA-N 461.970 5.206 50 10 JKGE Brc1cccc(Br)c1CC[C@@H](Br)CC1CCCCC1 2099485005 GZHKWNKRWHLPSK-CYBMUJFWSA-N 453.056 6.878 50 10 JKGE Cn1ncc2cc([C@@H](Cl)c3c(Br)sc(Br)c3Cl)sc21 2118612085 ULXXFLNHRHNKJQ-SSDOTTSWSA-N 461.031 6.203 50 10 JKGE Cc1cc(F)c(Cl)cc1[C@@H](Br)c1c(Br)cccc1Br 2137050799 GFLSPCUTSZQWOF-CQSZACIVSA-N 471.389 6.797 50 10 JKGE Brc1ccc([C@@H](Br)c2ccc3sccc3c2)c(Br)c1 2138852166 MMTZRNVDMSCPLV-HNNXBMFYSA-N 461.016 6.911 50 10 JKGE CCOc1ccc([C@@H](Br)c2c(Br)cnn2CC)cc1Br 2150667136 FLSKYUYVUMRPQY-CYBMUJFWSA-N 466.999 5.311 50 10 JKGE Cc1cc(CN(C)c2c(CBr)ccc(Br)c2Cl)sc1Cl 2165373471 NHAVHZMJDPUVNI-UHFFFAOYSA-N 458.046 6.657 50 10 JKGE ClCc1nc2cc(Cl)c(Br)cc2n1-c1ccc(OCc2ccccc2)cc1 2169014923 FNNCOHRTQHACFJ-UHFFFAOYSA-N 462.174 6.759 50 10 JKGE C[C@H]1CN(C(=O)c2c(Br)cccc2Br)CC[C@H]1CCBr 2172469848 ZFDAKIJBMWYLOY-WDEREUQCSA-N 468.027 5.095 50 10 JKGE CN(C(=O)c1cccc(Br)c1Br)[C@@H]1CCCCC[C@@H]1Br 2172543341 KGFNTKWLMWRJCM-WCQYABFASA-N 468.027 5.380 50 10 JKGE Cc1c(Br)sc([C@@H](Br)c2ccc(OCCF)cc2)c1Br 2189495212 OCJWWKPGCIFBGH-LBPRGKRZSA-N 487.026 6.414 50 10 JKGE COc1ccc([C@@H](Br)c2ccc(Br)c(OC)c2)cc1Br 2192153401 VLXKAAJBGDEFFW-OAHLLOKOSA-N 464.979 5.713 50 10 JKGE COc1cc(C)c([C@@H](Br)c2cc(Cl)cc(Br)c2)cc1Br 2198737648 RIRYEDXMCSFTBW-HNNXBMFYSA-N 483.425 6.666 50 10 JKGE COc1cc(Cl)c([C@H](Br)c2cc(Cl)cc(Cl)c2)cc1Br 2202349290 XFAMNJLRTQJENZ-CQSZACIVSA-N 459.392 6.902 50 10 JKGE Cc1c(Br)ccc([C@H](Br)[C@H]2C(F)(F)C23CCCC3)c1Br 2203682762 JFELJPPBFUIUCB-QWHCGFSZSA-N 472.993 6.782 50 10 JKGE COc1cc(F)c(Cl)cc1[C@H](Cl)c1ccc(I)c(Br)c1 2207379444 PZZRTNNZSRMYOT-CQSZACIVSA-N 489.937 6.183 50 10 JKGE Clc1cc(Br)c([C@@H](Cl)c2ccc(Br)o2)c(Cl)c1Cl 2217612602 GNOGGJRYKGBKNX-JTQLQIEISA-N 453.772 7.093 50 10 JKGE Cc1c(Br)sc([C@H](Cl)c2c(Br)cccc2Br)c1C 2218781173 NOJKNVKZBMLESQ-LLVKDONJSA-N 473.455 6.981 50 10 JKGE Cc1sc([C@H](Br)c2cc(Br)c(Cl)cc2F)cc1Br 2218969273 OFJJQVCUINYSPC-GFCCVEGCSA-N 477.418 6.858 50 10 JKGE Cc1cc(Br)c(C)c([C@@H](Cl)c2scc(Br)c2C)c1Br 2226124298 IRIMKKSHPUWVQK-CYBMUJFWSA-N 487.482 7.289 50 10 JKGE CO[C@@H]1CC[C@H]([C@H](Br)c2c(Br)cc(C)c(Br)c2C)C1 2227349741 DSBOBYUUHCLETM-RWSFTLGLSA-N 455.028 6.080 50 10 JKGE C[C@H](Cl)c1nc2c(F)cc(Br)cc2n1[C@]1(C)CCN(Cc2ccccc2)C1 2232918131 HCSDBHAVPFASFH-LHSJRXKWSA-N 450.783 5.859 50 10 JKGE Fc1cc(Br)c(Br)cc1[C@@H](Br)[C@H]1COc2ccccc21 2233978296 ZWNSJQRMOVLJQK-ZUZCIYMTSA-N 464.954 5.963 50 10 JKGE Fc1cc(Br)c(Br)cc1[C@@H](Br)[C@@H]1CC2(CCCC2)CO1 2233981254 FZARRBXDJDMUKT-UONOGXRCSA-N 471.002 6.136 50 10 JKGE Brc1cc(Br)cc(C[C@H](Br)c2cc(Br)co2)c1 2252830059 NPOPMEGSRVGZDY-NSHDSACASA-N 487.811 6.246 50 10 JKGE Cl[C@H](Cc1cc(Br)cc(Br)c1)c1cscc1Br 2252832007 WUUVTBZJXHHIGR-GFCCVEGCSA-N 459.428 6.558 50 10 JKGE COc1ccc([C@H](Cl)Cc2ccccc2I)cc1I 2269547094 CELQVEZADPNGBQ-GFCCVEGCSA-N 498.529 5.427 50 10 JKGE ClCCc1nc2cc3c(cc2n1CCCN(Cc1ccccc1)Cc1ccccc1)COC3 2271811812 VJWFCXQAQYMXPY-UHFFFAOYSA-N 460.021 5.940 50 10 JKGE Fc1cc(Br)c(F)c(Br)c1[C@H](Br)[C@@H]1C[C@]12CC2(F)F 2272728984 ZCYVGBGYFCSEKJ-LSMXRSANSA-N 466.892 5.971 50 10 JKGE CCCC1([C@@H](Br)c2c(F)cc(Br)c(F)c2Br)CCC1 2272730117 URIJLXHJTHZTPK-ZDUSSCGKSA-N 460.982 6.896 50 10 JKGE Cn1c([C@H](Br)c2c(F)cc(Br)c(F)c2Br)cnc1Cl 2272852123 DFVBOEHZDHHCFA-QMMMGPOBSA-N 479.344 5.361 50 10 JKGE Cc1cccc([C@@H](Br)c2cc3sc(Br)cc3s2)c1Br 2278101220 NFVIFXAAVPDUJG-CQSZACIVSA-N 481.072 7.281 50 10 JKGE COc1ccc([C@H](Cl)c2nn(C)c(Cl)c2Br)c(Br)c1Cl 2283559040 NINVSHZMCRHIQU-VIFPVBQESA-N 463.384 5.589 50 10 JKGE CC(C)c1ccc([C@](C)(CI)OC2CCN(Cc3ccccc3)CC2)cc1 2287665128 ZYKDUIYHHCUKNO-DEOSSOPVSA-N 477.430 6.141 50 10 JKGE COc1ccc(OCCOc2c(Cl)cc(Cl)cc2C=C(C#N)C(=O)Nc2ccc(C)cc2)cc1 2293226906 PVWNCNKLGQOMRX-UHFFFAOYSA-N 497.378 6.314 50 10 JKGE Cc1cc(F)c(F)cc1[C@H](Br)Cc1cc(Br)cc(Br)c1 2295267322 KXDGNRXSGBAFJR-CYBMUJFWSA-N 468.961 6.477 50 10 JKGE N#CC1=C(N)OC2=C(CCCC2=Cc2cccc(Br)c2)[C@H]1c1cccc(Br)c1 2296736693 GFXFWHBCSPOBRV-OAQYLSRUSA-N 498.218 6.541 50 10 JKGE COc1ccc(-c2csc(C(C#N)=CNc3ccc([N+](=O)[O-])cc3Br)n2)cc1OC 2297624307 LIADTDQHQOOOKJ-UHFFFAOYSA-N 487.335 5.475 50 10 JKGE C[C@@H]1OCCO[C@@H]1[C@@H](Br)c1cc(Br)ccc1OCc1ccccc1 2299501509 OSEALLPIEDJYNH-AGRHKRQWSA-N 456.174 5.268 50 10 JKGE CC[C@]1([C@H](Br)c2cc(Br)ccc2OCc2ccccc2)CCCO1 2299503784 INKHFZDXDQFAAE-WOJBJXKFSA-N 454.202 6.423 50 10 JKGE C[C@H](CC(C)(C)C)[C@@H](Br)c1cc(Br)ccc1OCc1ccccc1 2299526685 AFEQUKAZOHASKV-FOIQADDNSA-N 454.246 7.536 50 10 JKGE CCN[C@@H](c1cc(Br)ccc1OCc1ccccc1)C1CC(Br)C1 2299530281 KRRNRQHVAYMSOA-MKJPBZQASA-N 453.218 5.852 50 10 JKGE Cn1nc([C@@H](Br)c2sc(Cl)cc2I)c(Cl)c1Cl 2301085946 JPSQTDQPDNVFQM-RXMQYKEDSA-N 486.387 5.531 50 10 JKGE C=CCc1cc(C=C(C#N)C(=O)Nc2ccc(C)cc2)cc(OC)c1OCc1cccc(F)c1 2313567656 JTRRBGNKXVUXJA-UHFFFAOYSA-N 456.517 5.996 50 10 JKGE Cc1cc(C=C(C#N)C(=O)Nc2cccc(Cl)c2Cl)c(C)n1-c1cc(C(=O)O)ccc1Cl 2313571220 QCDFVSRQLQDXGD-UHFFFAOYSA-N 488.758 6.298 50 10 JKGE Brc1cc(OCc2ccccc2)ccc1[C@H](Br)[C@H]1C[C@@H]2CCC[C@@H]2C1 2314446563 URKSQVPQQCACIU-WYADAEROSA-N 464.241 7.290 50 10 JKGE COC[C@]1([C@@H](Br)c2ccc(OCc3ccccc3)cc2Br)CCCO1 2314454071 CIMDHFPRMCHJNR-PMACEKPBSA-N 470.201 5.660 50 10 JKGE CCCSc1ccc(-c2nn(-c3ccccc3)cc2C=C(C#N)S(=O)(=O)c2ccc(C)cc2)cc1 2314478496 OEOXBFFNHCATTP-UHFFFAOYSA-N 499.661 6.688 50 10 JKGE COCc1csc([C@@H](Br)c2ccc(OCc3ccccc3)cc2Br)c1 2314502370 IIZXMCYSAVGNOZ-FQEVSTJZSA-N 482.237 6.720 50 10 JKGE Cc1cccc(C[C@@H]2SC(=C(C#N)C(=O)Nc3ccccc3)N(c3ccc(C)c(C)c3)C2=O)c1 2314592042 KMMQVTATUIJVFL-VWLOTQADSA-N 467.594 5.677 50 10 JKGE CC1=C(C#N)C(=O)N(Cc2ccc(F)cc2)C(=O)C1=Cc1ccc(-c2ccc(Cl)c(Cl)c2)o1 2314619782 FGKLPYBAPZQLKL-UHFFFAOYSA-N 481.310 6.185 50 10 JKGE CCCCNC(=O)C(C#N)=Cc1ccc(OC(=O)[C@H](C)Oc2cc(C)c(Cl)c(C)c2)c(OC)c1 2314789614 ONITZLVQIAAPCH-SFHVURJKSA-N 484.980 5.162 50 10 JKGE CCCc1sc(Br)cc1[C@H](Cl)c1cnn(C)c1I 2316181007 WDWGEUPAXIYTDM-NSHDSACASA-N 459.578 5.129 50 10 JKGE CC[C@@H]1CN(C(=O)OCc2ccccc2)[C@H](CC)CN1C[C@@H](CBr)CC(C)C 2328522378 HRWPTTHFYIMRMP-YPAWHYETSA-N 453.465 5.555 50 10 JKGE CSCC[C@H](NC(=O)OC(C)(C)C)C(=O)NN=Cc1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1 2328826165 OBFVSRONWCDFRV-IBGZPJMESA-N 479.687 5.084 50 10 JKGE COc1cccc(C=C(C#N)c2ccc(Cl)cc2F)c1OCc1c(Cl)cccc1Cl 2331063871 KBYULBDOFBYTHO-UHFFFAOYSA-N 462.735 7.438 50 10 JKGE CC(C)Oc1ccc(CC(O)=C(C#N)c2nc(-c3ccc(Br)cc3)cs2)cc1 2331259624 DMTZQGVEQFVMGD-UHFFFAOYSA-N 455.377 6.395 50 10 JKGE COc1cc(OC)c(-c2csc(C(C#N)=C(O)CCCOc3ccccc3)n2)cc1Cl 2331378637 LCNMLQRRYXYMIW-UHFFFAOYSA-N 456.951 6.133 50 10 JKGE CCCCCOc1c(Br)cc(C=C(C#N)c2nc(-c3cccs3)cs2)cc1OC 2331450843 HWPIVQXNFFGEMY-UHFFFAOYSA-N 489.460 7.276 50 10 JKGE COc1cc(C=C(C#N)c2nc(-c3cccs3)cs2)cc(Br)c1OC(C)C 2331450880 MUIKOTKHFUCWKP-UHFFFAOYSA-N 461.406 6.494 50 10 JKGE COc1ccc(-c2csc(C(C#N)=Cc3ccc(OCc4ccc(C)cc4)cc3)n2)cc1F 2331455781 PILLNUJKYPNUQI-UHFFFAOYSA-N 456.542 6.909 50 10 JKGE COCC12CC([C@H](Br)c3ccc(OCc4ccccc4)cc3Br)(CO1)C2 2336043807 IIDUMAYLICTAHH-QNGMFEMESA-N 482.212 5.660 50 10 JKGE Cc1cc(I)c(O[C@@H]2C[C@H](Br)C23CCCC3)cc1Cl 2336557284 WSBJWGYUAIGLRK-UONOGXRCSA-N 455.561 5.728 50 10 JKGE CC12CC(C1)[C@H]([C@@H](Br)c1cc(Br)c(Br)cc1F)CO2 2337678933 FHRWLYWFKZFZEI-YPDDLGOGSA-N 456.975 5.602 50 10 JKGE Cc1cc(Br)c(F)c(Br)c1[C@@H](Br)CC(F)(F)C(F)F 2339652985 DXEGTYULQLFQHT-LURJTMIESA-N 474.887 6.386 50 10 JKGE Cc1scc([C@H](Cl)c2c(F)cc(Cl)c(Br)c2Cl)c1Br 2343477119 SEEPZYLQDWLMDK-NSHDSACASA-N 467.412 7.356 50 10 JKGE C[C@H]1[C@@H](Br)C[C@H]2CC[C@H]1N2Cc1cc(I)ccc1Cl 2352423730 KHSJFSNXTLIUMI-BYDSVVRCSA-N 454.577 5.081 50 10 JKGE Cc1cc(Br)c([C@@H](Br)[C@@H]2O[C@H]3CC[C@H]2C3)c(C)c1Br 2352552185 AVZSYVYGEQNOGW-NBLIUIFLSA-N 453.012 5.832 50 10 JKGE CC(C)(C)OC(=O)NCC[C@H]1CCN(CCCCCCBr)[C@@H](C(F)(F)F)C1 2362815225 WWCDEAITCDTMHP-JKSUJKDBSA-N 459.391 5.499 50 10 JKGE CC[C@@H]1OCC[C@@H]1[C@H](Br)c1c(C)cc(Br)c(OC)c1Br 2365187918 FWVXRLCEPFTYPS-GAFUQQFSSA-N 471.027 5.780 50 10 JKGE Cc1cc(Br)c(F)c(Br)c1[C@@H](Br)[C@H]1CCCCC1(C)C 2365216110 QRQSWBLPCUNLBF-MFKMUULPSA-N 471.046 7.312 50 10 JKGE COc1c(Br)cc(C)c([C@H](Br)C(C(C)C)C(C)C)c1Br 2365230602 JLHRLYZARLWOSV-CQSZACIVSA-N 471.071 6.893 50 10 JKGE CC(C)(C)OC(=O)N[C@@]12CCC(F)(F)C[C@H]1CN(CCCCCCCBr)C2 2370149193 NYNTWQJGJBIKLV-QFBILLFUSA-N 453.412 5.346 50 10 JKGE ClC[C@@H]1C[C@@H]2CCCC[C@@H]2N1Cc1ccc(I)c(Br)c1 2377325608 DSJTVUIYQXYRKW-XEZPLFJOSA-N 468.604 5.426 50 10 JKGE CC(C)(C)OC(=O)NC[C@]1(C)CN(CCCCCCCCCBr)CC1(F)F 2379682020 MTEXNOYFFODFET-LJQANCHMSA-N 455.428 5.594 50 10 JKGE CC(C)(C)OC(=O)N1CCN(C[C@](C)(CBr)C(C)(C)C)C[C@H]1CC(F)(F)F 2380179589 JDUQXOXASPQUJI-KDOFPFPSSA-N 459.391 5.307 50 10 JKGE Cc1ccc(-c2sc(-c3ccccc3)nc2CC(=O)N/N=c2\sc3ccccc3n2C)cc1 3311509 ZYSPFGDYVDERMC-WCTVFOPTSA-N 470.623 5.513 50 10 JKGE Cc1ccc(NC(=O)/C(C#N)=C/c2ccc(Oc3ccc(C(C)(C)C)cc3)c([N+](=O)[O-])c2)c(C)c1 3326776 KSVOGNHSHSHZQN-RCCKNPSSSA-N 469.541 6.847 50 10 JKGE N#C/C(=C\c1cn(-c2ccccc2)nc1-c1ccncc1)S(=O)(=O)c1ccc(Br)cc1 18065693 HYEMWCSDUVFIRR-HYARGMPZSA-N 491.370 5.035 50 10 JKGE O=C(/C=C\c1cccc2ccccc12)N/C(S)=N\NC(=O)COc1ccc(-c2ccccc2)cc1 33385934 YEIHPKRQLQMHCZ-SDXDJHTJSA-N 481.577 5.032 50 10 JKGE COc1cc(/C=C(/C#N)c2nc(-c3cccs3)cs2)ccc1OCC(=O)Nc1ccccc1 33471687 JTRJDHZJMOOFLZ-PDGQHHTCSA-N 473.579 5.962 50 10 JKGE N#C/C(=C/c1ccc(-c2ccc(C(=O)O)cc2)o1)C(=O)Nc1cc(C(F)(F)F)ccc1Cl 33765791 GYVBLQHAUFXCRI-ZROIWOOFSA-N 460.795 5.863 50 10 JKGE CCOc1cc(/C=C(/C#N)c2nc3ccccc3s2)ccc1OC(=O)c1cccc2ccccc12 34882072 BHNXLOFJVDMOCX-PGMHBOJBSA-N 476.557 7.132 50 10 JKGE CCOC(=O)/C(C#N)=C\c1c(C)n(CCOc2ccc(C3CCCCC3)cc2)c2ccccc12 35177222 LCINDIUPXJJUNF-CLCOLTQESA-N 456.586 6.547 50 10 JKGE CCCCN1C(=O)N[C@H](c2cccc(NC(=O)[C@H](C)Cl)c2)C(C(=O)OCC)=C1c1ccccc1 35710840 VGCWDBDTVIRNDM-HTAPYJJXSA-N 483.996 5.093 50 10 JKGE CCOC(=O)N/N=C1\CCCc2oc(C(=O)Nc3ccc4c(c3)c3ccccc3n4CC)c(C)c21 40825460 HWAPMXZOVPENKG-ZTKZIYFRSA-N 472.545 5.755 50 10 JKGE Cc1ccc(C(C)(C)C)c(OCC(=O)N/N=C2\C(=O)N(Cc3ccccc3Cl)c3ccccc32)c1 40846293 KMCFELMPRGJXMZ-ZXPTYKNPSA-N 490.003 5.392 50 10 JKGE O=C(CSc1nc(-c2ccc(Cl)cc2)cs1)N/N=C/c1ccc(Cl)c([N+](=O)[O-])c1 40924807 BDLPFXUJDUAYRB-ODCIPOBUSA-N 467.359 5.268 50 10 JKGE CCc1ccc(NC(=O)C(=O)N/N=C/c2c(OCc3ccccc3)ccc3ccccc23)cc1 59378787 XHUBLDXRVPRHAG-RDRPBHBLSA-N 451.526 5.070 50 10 JKGE COc1cc(/C=C(/C#N)C(=O)Nc2nc3ccccc3s2)ccc1OCCCOc1cccc(C)c1 102443811 SFPKUXLIFGUDQP-PGMHBOJBSA-N 499.592 6.007 50 10 JKGE COc1cc([C@H](Br)c2ccc(C)c(Br)c2)c(OC)cc1Br 134302217 BOGZACCSARIQBT-MRXNPFEDSA-N 479.006 6.022 50 10 JKGE COCCN(CCP(c1ccccc1)c1ccccc1)CCP(c1ccccc1)c1ccccc1 139282639 DWZWXRYWRGAMLE-UHFFFAOYSA-N 499.575 5.201 50 10 JKGE Fc1cc2nc(CCCl)n(-c3ccccc3I)c2cc1Br 158512067 MBWWJQZCEVIGOQ-UHFFFAOYSA-N 479.518 5.313 50 10 JKGE Cc1ccc(C(=O)N[C@@H](NC(=S)Nc2ccc(Cl)cc2Cl)C(Cl)Cl)cc1 198698432 CRBNCIYYHLPNSZ-HNNXBMFYSA-N 451.206 5.148 50 10 JKGE COc1cc(/C=C(/C#N)C(=O)NCc2ccccc2)ccc1OC(=O)c1c(C)cc(C)cc1C 206393953 VGIBHEYEXFZSSA-UCQKPKSFSA-N 454.526 5.063 50 10 JKGE CC[C@H](C)c1ccc([C@@H](Cl)c2cc(Br)ccc2I)cc1 234020739 WMJUXDNUOMVMQR-APPDUMDISA-N 463.584 6.895 50 10 JKGE Cc1cc([C@H](Cl)c2cc(I)ccc2Br)c(C)cc1Cl 235882141 UXKLWMPBCIWNCI-HNNXBMFYSA-N 469.975 6.652 50 10 JKGE O=C(NC[C@@H]1CCC[C@@H](CBr)C1)c1ccc(Br)cc1Br 312710264 SRXLTGGOUKLBSW-GHMZBOCLSA-N 468.027 5.143 50 10 JKGE C=C(C)[C@@H]1CC[C@]2(N=C=O)CC[C@]3(C)[C@H](CC[C@@H]4[C@]5(C)CCC(=O)C(C)(C)[C@@H]5CC[C@]43C)[C@@H]12 504359160 VQWHXXYGQNAQAN-LIFBHLINSA-N 451.695 7.301 50 10 JKGE biogenic CC[C@@H](CC(F)F)CC(CBr)(CBr)c1ccc(Br)cc1 687834175 MXHSCYPYLGCXIZ-NSHDSACASA-N 477.025 6.548 50 10 JKGE Cc1nc(CC(CBr)(CBr)c2cccc(Br)c2)c(C)s1 692518917 HJNWCMMNYUABKK-UHFFFAOYSA-N 482.079 5.793 50 10 JKGE BrCc1cc(Br)c(OCCOCC2CCCC2)c(Br)c1 693100007 DKGQSKISXUURBO-UHFFFAOYSA-N 471.027 5.692 50 10 JKGE C[C@@H]1CCCN(C(=O)c2cc(Br)ccc2Br)[C@H]1CCBr 697202040 XELZLHZEQPJXQS-YGRLFVJLSA-N 468.027 5.237 50 10 JKGE CCCCc1ccc([C@@H](Cl)c2ccc(I)c(Br)c2)cc1 721572510 LNBRTFOSQPBEOW-QGZVFWFLSA-N 463.584 6.725 50 10 JKGE N#C/C(=C/c1ccc(OC(=O)c2cccc3ccccc23)cc1)C(=O)Nc1ccc(Cl)c(Cl)c1 1083930984 OESGYZZCJMYEMM-RGEXLXHISA-N 487.342 6.911 50 10 JKGE Cc1cc(C)cc(CSCC(=O)NN=Cc2cc(C)n(-c3ccc(Cl)c(Cl)c3)c2C)c1 1084037559 OUWJCFXLNALJLV-UHFFFAOYSA-N 474.457 6.401 50 10 JKGE ClCc1cc(-c2ccc(I)cc2)nn1-c1ccccc1Br 1614816997 GWPCJDYQOFYZSZ-UHFFFAOYSA-N 473.539 5.645 50 10 JKGE Cc1ccc(Cl)cc1NC(=O)c1oc2c(c1C)C(=NNC(=O)c1cccc3ccccc13)CCC2 1772746848 ATESKAMXFSMFIV-UHFFFAOYSA-N 485.971 6.426 50 10 JKGE COc1ccccc1NC(=O)c1oc2c(c1C)C(=NNC(=O)c1ccc(-c3ccccc3)cc1)CCC2 1772746929 JAALPXMENFOVKX-UHFFFAOYSA-N 493.563 5.986 50 10 JKGE COc1cccc(C(=O)NN=C2CCCc3oc(C(=O)Nc4cccc(C(F)(F)F)c4)c(C)c32)c1 1772749004 GEKJNTUIODAJFL-UHFFFAOYSA-N 485.462 5.338 50 10 JKGE N#CC1=C(N)Oc2c(c(C(F)(F)F)nn2Cc2ccc(Cl)c(Cl)c2)[C@H]1c1ccccc1 1865680555 OFMGZXMEPREOEY-INIZCTEOSA-N 465.262 5.475 50 10 JKGE CCc1nn(-c2ccc(Br)cc2)c2c1[C@H](c1ccc(Cl)cc1Cl)C(C#N)=C(N)O2 1865685689 LXNFISUMHISIFM-GOSISDBHSA-N 490.188 5.722 50 10 JKGE CCCCOc1c(Br)cc([C@@H]2C(C#N)=C(N)Oc3c2c(CC)nn3CCC)cc1OC 1865693080 RGNNOWVLPOKMKP-LJQANCHMSA-N 489.414 5.024 50 10 JKGE CCCc1nn(-c2cccc3ccccc23)c2c1[C@H](c1cc(OC)ccc1OC)C(C#N)=C(N)O2 1865693470 WCPFATXNLUVXMQ-RUZDIDTESA-N 466.541 5.213 50 10 JKGE CCCOc1ccc([C@@H]2C(C#N)=C(N)Oc3c2c(-c2ccccc2)nn3-c2ccc(C)cc2)cc1 1865693550 KOUDGUQQRYPJCF-RUZDIDTESA-N 462.553 5.855 50 10 JKGE CCCOc1c(OC)cccc1[C@H]1C(C#N)=C(N)Oc2c1c(CCC)nn2Cc1ccc(F)cc1 1865693878 RJPSOGCTKGYIGT-QHCPKHFHSA-N 476.552 5.039 50 10 JKGE COc1ccccc1[C@@H]1C(C#N)=C(N)Oc2c1c(-c1ccccc1)nn2Cc1cccc(Cl)c1 1865710336 VSVHBYOCSXVQOL-HSZRJFAPSA-N 468.944 5.479 50 10 JKGE COCCN1[C@@H](C)CN(c2cc(Nc3ccc(SC#N)cc3)nc(-c3ccccc3C)n2)C[C@@H]1C 1868301696 VEUNQHIMXAFSGH-SFTDATJTSA-N 488.661 5.314 50 10 JKGE N#C/C(=C(/O)c1c(Cl)ccc(Cl)c1Cl)c1nc(-c2ccc3ccccc3c2)cs1 1872745592 UVFKIAXBTKHTDY-QNGOZBTKSA-N 457.769 7.873 50 10 JKGE C[C@H](c1ccccc1)N1C[C@@H](/C(O)=C(\C#N)c2nc(-c3ccc(Cl)c(Cl)c3)cs2)CC1=O 1872749015 XOTPCOYOBYHVKU-DYIYDVSVSA-N 484.408 6.519 50 10 JKGE N#C/C(=C(/O)[C@H]1CC(=O)N(Cc2ccccc2)C1)c1nc(-c2cc(Cl)ccc2Cl)cs1 1872758358 XCMVTQKYIXLMOX-YUCJCZDXSA-N 470.381 5.958 50 10 JKGE COc1ccc(-c2csc(/C(C#N)=C(\O)CCCOc3ccccc3)n2)c(OC)c1OC 1872759066 CFNVWOYBNNNVKA-ZZEZOPTASA-N 452.532 5.488 50 10 JKGE COc1cc(/C=C(\C#N)c2nc(-c3ccc(-c4ccccc4)cc3)cs2)cc(OC)c1OC 1872782285 AZIJVZZMTWUVMT-LPYMAVHISA-N 454.551 6.567 50 10 JKGE CCOc1c(/C=C(\C#N)c2nc(-c3cc(Cl)c(OC)c(Cl)c3)cs2)cccc1OC 1872794424 ANOAUJPPYIRTOB-OVCLIPMQSA-N 461.370 6.597 50 10 JKGE CN(Cc1ccc(Cl)c(I)c1)C[C@H](Cl)COCc1ccccc1 1900396737 JQARAVVBXAZBKK-INIZCTEOSA-N 464.174 5.201 50 10 JKGE Cn1nc(Br)c(Br)c1[C@@H](Br)c1ccc(Br)s1 1900983561 NSYVAWYFAIYDKL-LURJTMIESA-N 493.844 5.253 50 10 JKGE CC(C)[C@@H](CBr)N(Cc1ccccc1)Cc1cc(Cl)ccc1Br 1915258133 UJPNNKRSLMBVEH-LJQANCHMSA-N 459.653 6.524 50 10 JKGE Cc1c(Br)sc([C@H](Br)c2occc2Br)c1Br 1922905773 CDIYQNJYDUNGRJ-SSDOTTSWSA-N 493.840 6.421 50 10 JKGE C[C@]1([C@@H](Br)c2c(Br)sc(Br)c2Br)CCCO1 1924579402 DZQNJYXGUPBNLC-OIBJUYFYSA-N 497.872 6.041 50 10 JKGE COC1(C[C@@H](Cl)c2c(Br)sc(Br)c2Br)CCC1 1924583361 JDXFNNOGUFVFBC-ZCFIWIBFSA-N 467.448 6.275 50 10 JKGE CC1CC(C)([C@H](Cl)c2c(Br)sc(Br)c2Br)C1 1924617002 WCNTYACVDKLNQN-GBZMYTLWSA-N 451.449 6.752 50 10 JKGE Brc1cc([C@H](Br)c2csnc2Br)sc1Br 1925226147 QGRCSYQUGZWMDF-ZCFIWIBFSA-N 496.869 5.976 50 10 JKGE Brc1ccc([C@H](Br)c2cc(C3CC3)c(Br)s2)s1 1945803841 ODIQDEYNOMVEMG-NSHDSACASA-N 457.050 6.696 50 10 JKGE C[C@H]1C[C@@H](N(C)c2ccc(Br)cc2CBr)CN1Cc1ccccc1 1949203133 AIFVZBARUVTACN-HNAYVOBHSA-N 452.234 5.443 50 10 JKGE Cc1cc(Br)sc1[C@@H](Cl)c1cc(Cl)ccc1I 1950207062 CBFVVTMBYCAGSM-NSHDSACASA-N 461.977 6.405 50 10 JKGE C[C@]1(F)C[C@H]([C@H](Br)c2c(Br)sc(Br)c2Cl)C1 1992297441 HTLQNDWERABKHB-FVRSJOBKSA-N 455.412 6.501 50 10 JKGE Cc1cc(Br)sc1[C@@H](Br)c1nn(C)c(Cl)c1Br 2001989248 ZFPZRHVURABRMR-LURJTMIESA-N 463.420 5.453 50 10 JKGE Cc1cc(Br)c(CBr)c(N(Cc2ccccc2)C[C@@H]2CCCO2)c1 2005452206 FMYDEOLXFZUEGG-KRWDZBQOSA-N 453.218 5.838 50 10 JKGE BrCc1c(Br)cccc1N1C[C@@H]2[C@H](CCN2Cc2ccccc2)C1 2015068081 NZYYWHODHXJNBP-OXQOHEQNSA-N 450.218 5.055 50 10 JKGE C[C@]1([C@@H](Br)c2c(Br)sc(Br)c2Cl)CCCC1(F)F 2048965957 CBLHZEPAAIHQMR-OIBJUYFYSA-N 487.429 7.188 50 10 JKGE Cc1c(Br)sc([C@@H](Br)[C@@]23CC[C@@](C)(C2)OC3)c1Br 2058140204 YVCJYJGRFSWWBG-WXHSDQCUSA-N 459.041 5.977 50 10 JKGE CC1(C)CCN(C(=O)c2cc(Br)c(Br)s2)C[C@H]1CBr 2092240771 QJQMBINUDPYWQD-MRVPVSSYSA-N 474.056 5.156 50 10 JKGE Fc1cccc([C@@H](CBr)Cc2cccc(Br)c2Br)c1 2092336322 WPPSRUWSBAWPFE-GFCCVEGCSA-N 450.971 6.072 50 10 JKGE COc1cc(F)c(Br)cc1[C@H](Br)c1cc(Br)sc1C 2095699711 RFNKAJACTKIILZ-CYBMUJFWSA-N 472.999 6.214 50 10 JKGE C[C@@H]1CC[C@H](CCOc2c(Br)cc(CBr)cc2Br)O1 2104838437 SVBDYDPIQVSFLZ-MWLCHTKSSA-N 457.000 5.443 50 10 JKGE C[C@@H]1CN(Cc2cc(Br)ccc2Br)CC[C@H]1CCBr 2118519532 KZXKZIOWXOYWAR-VXGBXAGGSA-N 454.044 5.455 50 10 JKGE Clc1ccccc1[C@@H](Br)CCc1cc(Br)ccc1Br 2118531057 HNVZXJDWTILBQP-AWEZNQCLSA-N 467.426 6.934 50 10 JKGE COC1CC(CCOc2c(Br)cc(Br)cc2CBr)C1 2130337044 POLJHBUQEOOLJF-UHFFFAOYSA-N 457.000 5.300 50 10 JKGE CO[C@@H]1C[C@@H]([C@H](Br)c2c(Br)sc(Br)c2Cl)C12CCC2 2133849655 XXWAOVDWHTVFFK-OOZYFLPDSA-N 493.486 6.568 50 10 JKGE CN(c1ccc(CBr)c(Br)c1)[C@@H]1C[C@@H]2C[C@@H](OCc3ccccc3)C[C@@H]21 2134021089 ZNFQKZNTLNHZAF-ZJDLJICXSA-N 479.256 6.164 50 10 JKGE BrCc1cc(Br)cc(Br)c1OC[C@@H]1C2C[C@@H]3C1[C@@H]3C2 2134436986 KCAAXUHHDPVWOD-BJPAFSGMSA-N 450.996 5.387 50 10 JKGE Clc1ccc(Br)c(CO[C@H]2CCCCCC[C@H]2I)c1 2135982906 JFCPTBBUAXUFPA-CABCVRRESA-N 457.577 6.146 50 10 JKGE Cc1cc([C@@H](Br)c2c(C)c(Br)cc(C)c2Br)oc1C 2136379729 NPOZUPAGKJQMOR-OAHLLOKOSA-N 450.996 6.523 50 10 JKGE COc1ccc([C@H](Cl)c2cc(Br)sc2Br)c(Cl)c1Cl 2138635046 MIPUUDDFNDUADM-VIFPVBQESA-N 465.421 6.917 50 10 JKGE Cc1c(Br)ccc([C@H](Br)C23CCC(CC2)CC3)c1Br 2138859995 ABPREBJZTAQPGH-AJQRCPHMSA-N 451.040 6.926 50 10 JKGE CCO[C@@H]1CC[C@@H]([C@H](Br)c2ccc(Br)c(C)c2Br)C1 2138875134 CBRDPMARABEGJP-HFAKWTLXSA-N 455.028 6.161 50 10 JKGE Cl[C@H](Cc1ccccc1I)c1cc(Br)cc2c1OCC2 2143868973 UQXIWEZCQUIGBQ-CQSZACIVSA-N 463.540 5.511 50 10 JKGE O=C(NC1(C(F)(F)F)CCC(Br)CC1)c1cscc1OCc1ccccc1 2156305058 HAUNNWJORCWPDN-UHFFFAOYSA-N 462.331 5.696 50 10 JKGE Cc1cc(Br)c([C@H](Br)[C@@H]2CCCC(C)(C)CC2)cc1Br 2157079253 NTDSFYHBARKVLE-MLGOLLRUSA-N 467.083 7.563 50 10 JKGE CCCCCc1ccc([C@H](Br)c2cccc(C)c2I)s1 2197256495 DHMAZRLQDIDAOK-MRXNPFEDSA-N 463.222 6.878 50 10 JKGE CC(C)[C@H](CBr)N(Cc1ccccc1)C(=O)c1cc(Cl)cc(C(F)(F)F)c1 2200837095 DOCJJQUUWLDODK-SFHVURJKSA-N 462.737 6.421 50 10 JKGE CO[C@@H]1C[C@H]([C@@H](Br)c2ccc(Br)c(C)c2Br)C12CCC2 2203686864 OSLHHNOGHQQSQX-KYOSRNDESA-N 467.039 6.161 50 10 JKGE Cc1c(Br)ccc([C@H](Br)[C@@H]2C[C@@H]2C2CCOCC2)c1Br 2203689944 YZFUJKQVONXACX-IOASZLSFSA-N 467.039 6.019 50 10 JKGE Cc1sc([C@@H](Br)c2cc(Cl)c(Br)s2)c(Br)c1C 2215945962 SOWCMDWMYNTLCC-VIFPVBQESA-N 479.484 7.089 50 10 JKGE CC1([C@@H](Br)c2c(Br)cc(Cl)c(Cl)c2Cl)CS(=O)(=O)C1 2224321818 MUVJXSPDDLSPNW-JTQLQIEISA-N 471.425 5.280 50 10 JKGE CCOCc1cc(Br)c([C@@H](Br)c2cc(Cl)c(Cl)s2)s1 2224769929 CHEOYSQQXYEVLV-JTQLQIEISA-N 465.059 6.900 50 10 JKGE C[C@]1([C@@H](Br)c2cc(Br)c(Br)cc2F)CCCCC1(F)F 2233973512 ARFDHPKPUKVRRL-QWHCGFSZSA-N 478.972 7.002 50 10 JKGE COCc1ccc([C@@H](Br)c2cc(Br)c(Br)cc2F)cc1 2233976819 QGFLYDHPODZTMD-OAHLLOKOSA-N 466.970 5.981 50 10 JKGE Cc1cc(Br)c([C@@H](Br)CCC2CCCCC2)c(C)c1Br 2235604866 PNNOZDKPJRCJIL-AWEZNQCLSA-N 467.083 7.625 50 10 JKGE Fc1cc(F)c([C@@H](Br)Cc2ccc(Br)cc2)c(F)c1Br 2236111883 XCBBRDASVRGUQP-VIFPVBQESA-N 472.924 6.308 50 10 JKGE Clc1ccsc1[C@H](Br)Cc1cc(Br)cc(Br)c1 2252777283 ABZQSIBVJMUJLE-SNVBAGLBSA-N 459.428 6.605 50 10 JKGE Fc1cc(Br)c(F)c(Br)c1[C@H](Cl)c1sncc1Br 2260004352 AHPGYEYXEDJERC-QMMMGPOBSA-N 482.369 6.037 50 10 JKGE Cl[C@@H](Cc1cc(Br)cc(Br)c1)c1ccccc1Br 2263518593 GPQPMMOIAZDTGL-AWEZNQCLSA-N 453.399 6.497 50 10 JKGE Brc1cc2sc([C@H](Br)c3cccc(OCc4ccccc4)c3)cc2s1 2263630286 KTRLVSCVAUBSDD-HXUWFJFHSA-N 494.273 7.789 50 10 JKGE CN(Cc1ccc(I)cc1)c1ccc(CCl)cc1Br 2265603040 DRVRSDASBYHAHU-UHFFFAOYSA-N 450.545 5.429 50 10 JKGE COCC1(C[C@H](Br)c2c(F)cc(Br)c(F)c2Br)CC1 2272854559 QLBLGAGNHCXALA-QMMMGPOBSA-N 462.954 5.743 50 10 JKGE CC1(C)[C@H]2CO[C@@]1([C@H](Br)Cc1cc(Br)cc(Br)c1)C2 2277956878 RBQAHFXBGDCABQ-WDBKCZKBSA-N 453.012 5.333 50 10 JKGE Brc1ccc(Br)c(CN2C[C@H](Br)C[C@H]3CCCC[C@@H]32)c1 2279519656 FKYGILGBABGOOM-XFJVYGCCSA-N 466.055 5.740 50 10 JKGE C[C@H]1Cc2cc([C@H](Br)c3ccc(Cl)c(I)c3)ccc2O1 2283573311 IMRAOLPYKFTFJN-FVMDXXJSSA-N 463.540 5.752 50 10 JKGE FC(F)[C@@H]1CCC[C@@H]1COc1c(Br)cc(Br)cc1CBr 2285578037 BAYRUTVIAQIJFV-LDYMZIIASA-N 476.981 6.167 50 10 JKGE CCOc1cc(C=C(C#N)C(=O)Nc2ccccc2C)ccc1OCCOc1cccc(OC)c1 2293618326 PAWRPWQEFHWZEB-UHFFFAOYSA-N 472.541 5.406 50 10 JKGE N#CC(=Cc1c(Oc2ccccc2Cl)nc2ccccn2c1=O)S(=O)(=O)c1ccc(Cl)cc1 2296544473 KQTQRGYRTIRLQM-UHFFFAOYSA-N 498.347 5.132 50 10 JKGE Cc1noc(C)c1COC(=O)C(C#N)=Cc1cc(C)n(-c2ccc(Cl)c(C(F)(F)F)c2)c1C 2297335790 SURFVWARTKPKJE-UHFFFAOYSA-N 477.870 6.022 50 10 JKGE Cc1ccc(C(=O)Nc2sc(C(C#N)=Cc3cc(C)c(O)c(C)c3)nc2-c2ccccc2)cc1 2297576245 HNLHIROTFMEQQQ-UHFFFAOYSA-N 465.578 6.757 50 10 JKGE C[C@]12C[C@]([C@@H](Br)c3cc(Br)ccc3OCc3ccccc3)(CO1)C2 2299498554 UJCMQCZTCUSSRN-UFYCRDLUSA-N 452.186 6.033 50 10 JKGE Clc1c(Br)sc(Br)c1[C@@H](Br)[C@@H]1O[C@H]2CC[C@H]1C2 2307421860 YNFNZXAPOGLYMM-BWDYXRCQSA-N 465.432 5.930 50 10 JKGE N#CC(=Cc1cn(Cc2ccc(F)cc2)c2ccccc12)C(=O)Nc1sc2c(c1C#N)CCCC2 2313630990 YUKWXWNNKIWKQM-UHFFFAOYSA-N 480.568 6.186 50 10 JKGE Cc1ccc([C@H](Br)c2ccc(OCc3ccccc3)cc2Br)c(C)c1 2314448501 IHFZXLTWCWCDQO-QFIPXVFZSA-N 460.209 7.129 50 10 JKGE Brc1cc(OCc2ccccc2)ccc1[C@H](Br)[C@@H]1OC[C@@H]2CCC[C@@H]21 2314449077 MZJGFFYMYLWURQ-STRKUORWSA-N 466.213 6.279 50 10 JKGE N#CC(=C(O)[C@@H]1CCC(=O)N1C(=O)c1ccc(Cl)cc1)c1nc2cc(C(F)(F)F)ccc2s1 2314479412 VFXFIAALJVKTHL-INIZCTEOSA-N 491.878 5.593 50 10 JKGE Cc1ccccc1C[C@@H](Br)c1cc(Br)ccc1OCc1ccccc1 2314501833 BSMOHMUABWCHJY-OAQYLSRUSA-N 460.209 7.015 50 10 JKGE CCC12COC([C@H](Br)c3ccc(OCc4ccccc4)cc3Br)(C1)C2 2314503503 SMBDOBLCUGBHDH-QNGMFEMESA-N 466.213 6.423 50 10 JKGE FC1(F)CCC[C@H]1C[C@H](Br)c1ccc(OCc2ccccc2)cc1Br 2314504133 ZSXMBUXFJILGFQ-YJBOKZPZSA-N 474.183 7.290 50 10 JKGE CCOC(=O)C(C#N)=Cc1ccc(OC(=O)c2sc3ccc(OC)cc3c2Cl)c(OC)c1 2314792482 FAAXTQOVEXBEKR-UHFFFAOYSA-N 471.918 5.261 50 10 JKGE COc1ccc(C(C#N)=Cc2ccc(OC(=O)c3ccc(-n4cccc4)cc3)c(OC)c2)cc1 2320506109 BRFOUUHKWSLHEG-UHFFFAOYSA-N 450.494 5.778 50 10 JKGE COc1ccc2c(c1)c(C=C1Oc3c(ccc(OCc4ccc(CCl)cc4)c3C)C1=O)cn2C 2325339613 QDVFGTUBXCBWKP-UHFFFAOYSA-N 473.956 6.429 50 10 JKGE CCCCc1ccc(N2C[C@@H](C(O)=C(C#N)c3nc(-c4ccc5ccccc5c4)cs3)CC2=O)cc1 2331237884 PKQXDFBCTMRLHM-DEOSSOPVSA-N 493.632 7.152 50 10 JKGE COc1ccc(OC)c(-c2csc(C(C#N)=C(O)c3c(Cl)ccc(Cl)c3OC)n2)c1 2331326031 QZIGMYNHKANHFF-UHFFFAOYSA-N 463.342 6.093 50 10 JKGE CC(C)c1ccc(C=CC(O)=C(C#N)c2nc(-c3ccc(Oc4ccccc4)cc3)cs2)cc1 2331358696 DOYFXHAJAILYEG-UHFFFAOYSA-N 464.590 8.232 50 10 JKGE Cc1ccc(C(C)(C)C)cc1-c1csc(C(C#N)=C(O)[C@@H](C)N2C(=O)c3ccccc3C2=O)n1 2331396401 UPEABEWFNQHEPR-MRXNPFEDSA-N 471.582 5.893 50 10 JKGE CCOc1ccc(-c2csc(C(C#N)=Cc3ccc(Br)cc3)n2)c(OCC)c1 2331473786 CLUYOAVJBUOFKT-UHFFFAOYSA-N 455.377 6.434 50 10 JKGE Brc1ccc(Br)c([C@@H](Br)[C@H]2OC[C@@H]3CCCC[C@H]23)c1 2333528042 ZAQRKJYGVHWECX-NDMCHQMPSA-N 453.012 5.853 50 10 JKGE Cc1oc(Br)cc1[C@@H](Cl)c1c(F)cc(Cl)c(Br)c1Cl 2335301518 HQVKWTWRAGOWBB-LLVKDONJSA-N 451.344 6.887 50 10 JKGE Cn1nc([C@H](Cl)c2c(Cl)cc(Br)c(F)c2Br)cc1Br 2337095461 ATBMYSLKGAXBNN-JTQLQIEISA-N 495.799 5.828 50 10 JKGE CN(Cc1ccc(Cl)c(I)c1)[C@H]1CCCCC[C@H]1Br 2337228919 CLPJPYXHHQFTSU-DOMZBBRYSA-N 456.593 5.473 50 10 JKGE COc1c(Br)cc(C)c([C@H](Br)c2cscc2C)c1Br 2339651147 MOZVFRNQVKXFRW-GFCCVEGCSA-N 469.036 6.383 50 10 JKGE COc1c(Br)cc(C)c([C@H](Br)c2sccc2Cl)c1Br 2339690080 HLZOYMVBNQFGMX-NSHDSACASA-N 489.454 6.728 50 10 JKGE Fc1ccc([C@@H](CBr)Cc2ccc(Cl)cc2I)cc1 2341026688 COLPGFVYHQLXTB-GFCCVEGCSA-N 453.520 5.805 50 10 JKGE CC(C)[C@H](CBr)N(Cc1ccccc1)C(=O)CCc1cc(Cl)cc(Cl)c1 2341155175 ACLDYEBSKLGXKG-FQEVSTJZSA-N 457.239 6.374 50 10 JKGE COCc1cc(Br)cc(C[C@H](Br)c2cccc(Br)c2)c1 2362282321 SDCFPRFDRLZDNR-INIZCTEOSA-N 463.007 6.037 50 10 JKGE Cc1cc(Br)c(F)c(Br)c1[C@@H](Br)[C@@H]1CC2CCC1CC2 2365178180 ICBINWCPOYMIDU-OTFCRSJLSA-N 469.030 6.921 50 10 JKGE COc1c(Br)cc(C)c([C@H](Br)[C@@H]2C[C@@H]3CC[C@H]2O3)c1Br 2365190969 KAFFEEHEYFWBFK-SEMCEJNYSA-N 469.011 5.532 50 10 JKGE Cc1cc(Br)c(F)c(Br)c1[C@@H](Br)[C@@H]1CCCC(C)(C)C1 2365190995 KGYPPDSBBHXZSU-MFKMUULPSA-N 471.046 7.312 50 10 JKGE CC[C@@H]1CC[C@H]([C@H](Br)c2c(C)cc(Br)c(OC)c2Br)O1 2365196558 NJSHIMDXCNCIBO-XWIASGKRSA-N 471.027 5.922 50 10 JKGE COc1c(Br)cc(C)c([C@H](Br)[C@H]2[C@@H]3CCCO[C@@H]32)c1Br 2365216078 QMUVXRCQDYKTTO-PRAYIBQGSA-N 469.011 5.390 50 10 JKGE BrC[C@@H]1C[C@@H]2C[C@H](C1)CN(Cc1cccc(Br)c1Br)C2 2369244888 SQUKZTNAKZMZLP-XYYAHUGASA-N 466.055 5.455 50 10 JKGE Cc1cc([C@H]2C(C#N)=C(N)N(c3ccc(Br)cc3C)C3=C2C(=O)CCC3)c(C)s1 9981479 FRNRNCMVPJNZKH-NRFANRHFSA-N 468.420 5.741 50 10 JKGE N#C/C(=C(/Nc1ccc(F)cc1)SCC(=O)c1ccc(Cl)s1)c1nc2ccccc2s1 12604248 MNSBGWXAQNNRBA-RCCKNPSSSA-N 486.018 7.071 50 10 JKGE C[C@H](Oc1ccc(-c2ccccc2)cc1)C(=O)NNC(=O)COc1ccc(-c2ccccc2)cc1 14038751 QPLKMHCTEXBJDU-NRFANRHFSA-N 466.537 5.014 50 10 JKGE N#C/C(=C/c1ccc(OC(=O)CCCN2C(=O)c3ccccc3C2=O)cc1)c1cccc(Cl)c1 31901534 KEPTZFYLNHGABZ-HKWRFOASSA-N 470.912 5.386 50 10 JKGE N#C/C(=C/c1cn(-c2ccccc2)nc1-c1ccc(C2CCCCC2)cc1)c1ccc(Cl)cc1Cl 34377572 FYXYLIYWQXEVPX-ULJHMMPZSA-N 498.457 8.958 50 10 JKGE CCOc1cccc(C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@H]3c2cccc(OCCC(C)C)c2)c1 38684702 SSADPSGYTIIXIL-NDEPHWFRSA-N 498.579 5.948 50 10 JKGE CCCCC1CCC(C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@@H]3c2ccccc2OC)CC1 38687283 BYWUNIWOPBBPGS-LJLLCPEMSA-N 460.574 5.815 50 10 JKGE COc1cccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4oc5ccc(F)cc5c4C)ccc32)c1 38687336 WDAVRJMCEZBVAM-DEOSSOPVSA-N 470.456 5.326 50 10 JKGE COc1cc(/C=C(\C#N)c2ccc(Cl)cc2)ccc1OC(=O)c1ccc([N+](=O)[O-])cc1Cl 40847920 SIJVMBRPFBWHGD-MHWRWJLKSA-N 469.280 6.194 50 10 JKGE COc1ccc2ccccc2c1/C=N/NC(=O)COc1cc(C)c(Cl)c(C)c1Br 40950783 QFSUQOAXUWYEHI-OPEKNORGSA-N 475.770 5.410 50 10 JKGE COc1ccccc1/C=N/NC(=O)CCCSc1nnc(CCc2ccccc2)n1-c1ccccc1 58990297 XRFMUMHPGZINHV-XHLNEMQHSA-N 499.640 5.084 50 10 JKGE Cc1ccccc1OCC(=O)N/N=C1/C(=O)N(C(c2ccccc2)c2ccccc2)c2ccccc21 59157084 QAEGQDQHFQHGMY-VEWQFJOQSA-N 475.548 5.031 50 10 JKGE O=C(N/N=C/c1cn(-c2ccccc2)nc1-c1ccc(Cl)cc1)c1ccc(Br)cc1 59464244 SXEWTJBLEHSAJI-VULFUBBASA-N 479.765 5.719 50 10 JKGE Fc1ccc(C[C@H](CBr)Cc2ccc(Br)cc2)cc1Br 97183127 TXTWBRXQOWMYPC-CYBMUJFWSA-N 464.998 6.147 50 10 JKGE ClCCc1nc2cc(I)ccc2n1Cc1cccc(Br)c1 97354261 MFCKCYGPFWNDDT-UHFFFAOYSA-N 475.555 5.233 50 10 JKGE CCCCCCCOc1ccc(C(=O)NC(=S)NNC(=O)c2ccc(-c3ccccc3)cc2)cc1 100154366 IJOXBNMSBYTITL-UHFFFAOYSA-N 489.641 5.652 50 10 JKGE Cc1ccc(N2C(=O)[C@H](Cc3ccc(C(C)C)cc3)S/C2=C(/C#N)C(=O)NCc2ccco2)cc1C 101242610 MSLLLJHHJKRHKP-HFVAWESISA-N 499.636 5.763 50 10 JKGE Br[C@H](c1ccc(I)cc1)c1ccc(C2CCCCC2)cc1 109859650 SNLLOMWRFRACSV-IBGZPJMESA-N 455.177 6.823 50 10 JKGE Cc1cc(Br)c([C@H](Cl)c2cccc(F)c2Br)cc1Br 156135644 CXCAJWAOBHURHI-CQSZACIVSA-N 471.389 6.750 50 10 JKGE C[C@@H](Cl)c1nc2cc(F)c(Br)cc2n1Cc1cc(Br)cs1 158640227 OZRPXRWOWYQZAJ-SSDOTTSWSA-N 452.574 6.110 50 10 JKGE COc1cc(/C=C(/C#N)c2nc3ccccc3n2C)cc([N+](=O)[O-])c1OCc1ccc(C)cc1 169939612 SCHJQLHHLGSXDK-NDENLUEZSA-N 454.486 5.442 50 10 JKGE CCCCCOc1cccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)/C=C\c4ccc(C)cc4)ccc32)c1 205659502 CHVIMHXYTURDNB-QVWLHTRISA-N 494.591 6.401 50 10 JKGE CCOC(=O)/C(C#N)=C\c1cccc(OC(=O)/C=C\c2ccc(OCc3ccccc3)cc2)c1 206690253 DRFWTVBYPUYCJR-GUKBQYMMSA-N 453.494 5.354 50 10 JKGE N#C/C(=C/c1ccc(OC(=O)COc2ccc(-c3ccccc3)cc2)cc1)C(=O)NCc1ccco1 206735022 VRULWYHIESBCIT-ULJHMMPZSA-N 478.504 5.154 50 10 JKGE N#C/C(=C/NC(c1ccccc1)c1ccccc1)C(=O)Nc1ccccc1Sc1ccccc1 217243402 LHAOVIJMLGCDTC-FLFQWRMESA-N 461.590 6.563 50 10 JKGE CCOc1ccc([C@@H](Br)c2cc(C)c(Br)s2)cc1Br 228993997 PXODEGJDVJEBKI-CYBMUJFWSA-N 469.036 6.465 50 10 JKGE COc1cc(C)c(Br)cc1[C@@H](Cl)c1cc(Br)cc(Br)c1 234798064 NEKSIPHTSUCOIX-HNNXBMFYSA-N 483.425 6.619 50 10 JKGE CCOc1cc(C=NNC(=O)COc2ccc(C)c(C)c2)ccc1OC(=O)c1cccc2ccccc12 254492718 IYBFPEGWSBETIJ-UHFFFAOYSA-N 496.563 5.604 50 10 JKGE Cc1cc(C)c([C@H](Br)c2cccc(OCc3ccccc3)c2)c(C)c1Br 312115630 PODJASTYXRTGCG-HSZRJFAPSA-N 474.236 7.438 50 10 JKGE COc1ccc([C@H](Br)c2cccc(OCc3ccccc3)c2)c(OC)c1Br 312777755 YMESLFPWEJAEEB-HXUWFJFHSA-N 492.207 6.530 50 10 JKGE O=C1Cc2cc([C@H](Br)c3ccccc3OCc3ccccc3)c(Br)cc2N1 380765154 YORXYEDTEXFCDT-JOCHJYFZSA-N 487.191 6.007 50 10 JKGE Brc1cccc2c([C@H](Br)c3ccccc3OCc3ccccc3)csc12 388512317 OSIXMZRCOVUSBX-OAQYLSRUSA-N 488.244 7.727 50 10 JKGE C[C@H](CCOCc1ccccc1)n1c(CCl)nc2cc(I)c(F)cc21 389694406 NOYGXPQWXLRMJV-CYBMUJFWSA-N 472.729 5.687 50 10 JKGE Cc1oc(Br)cc1[C@@H](Br)c1cc2nc(O)[nH]c2cc1Br 396593381 MXSVHVWCKRPDIC-GFCCVEGCSA-N 464.939 5.179 50 10 JKGE COc1cc(Br)c([C@H](Br)c2cscc2Br)cc1OC 404779186 VEKWCLONRUCGRZ-ZDUSSCGKSA-N 471.008 5.775 50 10 JKGE CC1(C)CC[C@@H](CBr)N(C(=O)c2cc(Br)sc2Br)C1 701638334 UWFXZPUDAYGGPX-QMMMGPOBSA-N 474.056 5.299 50 10 JKGE C[C@@H]1Cc2cc([C@@H](Br)c3scc(Br)c3Br)ccc2O1 705466384 PPNVWQDNZGBEKB-JMCQJSRRSA-N 467.020 6.081 50 10 JKGE Cn1nc(COc2c(Br)cc(CBr)cc2Br)cc1Cl 706166964 MHOYSGDJJXFZFZ-UHFFFAOYSA-N 473.390 5.072 50 10 JKGE BrCc1cc(Br)c(OCC[C@@H]2C[C@@H]2C2CC2)c(Br)c1 714877910 JXVKPSRETZHITD-VXGBXAGGSA-N 453.012 5.922 50 10 JKGE O=C(CSc1nc2ccc([N+](=O)[O-])cc2s1)NN=Cc1ccccc1OCc1ccccc1 1084154031 UMCCGBHAOATIAF-UHFFFAOYSA-N 478.555 5.026 50 10 JKGE O=C(NN=Cc1cn(Cc2ccccc2Cl)c2ccccc12)c1ccccc1Br 1084255933 RHHRZSZIGWXLPK-UHFFFAOYSA-N 466.766 5.869 50 10 JKGE O=C(NN=C1C(=O)N(C/C=C/c2ccccc2)c2ccccc21)c1ccc(Cl)cc1Cl 1084494332 LKPUEJTWWHRTRL-KUWHMERASA-N 450.325 5.188 50 10 JKGE COc1cc(/C=C(/C#N)C(=O)Nc2ccc(C)cc2C)ccc1OCc1ccc(Cl)c(Cl)c1 1084608516 ZFVXYPQJAMXIEJ-JAIQZWGSSA-N 481.379 6.744 50 10 JKGE CCOc1ccc2ccccc2c1C=NNC(=O)COc1cc(C)c(Cl)c(C)c1Br 1772756548 QJVUFNPTBNCTHJ-UHFFFAOYSA-N 489.797 5.800 50 10 JKGE N#CC1=C(N)Oc2c(c(C(F)(F)F)nn2Cc2ccccc2Cl)[C@@H]1c1cc(Cl)ccc1O 1865689583 TVAFQVDUMFPBPV-MRXNPFEDSA-N 481.261 5.181 50 10 JKGE N#CC1=C(N)Oc2c(c(C(F)(F)F)nn2Cc2ccc(Cl)c(Cl)c2)[C@@H]1c1ccco1 1865697902 FESKXWGZLDEUKN-AWEZNQCLSA-N 455.223 5.068 50 10 JKGE N#CC1=C(N)Oc2c(c(-c3ccccc3)nn2Cc2ccc(Cl)cc2)[C@H]1c1ccccc1O 1865708253 RNUUWMWQDORETF-QFIPXVFZSA-N 454.917 5.176 50 10 JKGE CC[C@@](C)(NC(=O)CCc1csc(-c2ccccc2)n1)C(=O)Nc1ccc(SC#N)cc1 1867048737 KQWGKUMHUCDASK-XMMPIXPASA-N 464.616 5.239 50 10 JKGE CCCCCCCCCOc1ccc(/C=C(\C#N)c2nc3cc(C)ccc3n2C)cc1Cl 1872728339 XSRNOUBHIRNEMK-OQKWZONESA-N 450.026 7.729 50 10 JKGE CCOc1cc(/C=C(\C#N)c2ccccc2[N+](=O)[O-])ccc1OCc1c(Cl)cccc1Cl 1872729379 GXRAAEMLZDCQCU-SFQUDFHCSA-N 469.324 6.943 50 10 JKGE COc1c(Cl)cc(Cl)cc1-c1csc(/C(C#N)=C(\O)Cc2ccc(OC(C)C)cc2)n1 1872754202 IEZICDUCPDWSCJ-UZYVYHOESA-N 475.397 6.948 50 10 JKGE COc1c(Cl)cc(Cl)cc1-c1csc(/C(C#N)=C(\O)c2ccc3nc(C)c(C)nc3c2)n1 1872754222 IQHMCFBXXFZUTJ-PGMHBOJBSA-N 483.380 6.635 50 10 JKGE CCOc1ccc(/C=C/C(O)=C(\C#N)c2nc(-c3cc(Cl)c(OC)cc3OC)cs2)cc1OC 1872756495 MJSSPWREABNUQZ-AHUVHIBXSA-N 498.988 6.394 50 10 JKGE CCCOc1ccc(-c2csc(/C(C#N)=C(\O)c3cc(Cl)ccc3Cl)n2)cc1OCCC 1872818358 YRFYUGRWDNNLKV-NKFKGCMQSA-N 489.424 7.644 50 10 JKGE F[C@@H]1C[C@H]1[C@H](Br)c1c(Br)sc(Br)c1Br 1884671255 RSKWAPDCVJCVKY-KUCRYNDESA-N 471.809 5.830 50 10 JKGE CC(C)(CBr)N(Cc1ccccc1)c1ccc(C(F)(F)F)cc1Br 1915759505 DHCPXZIPMBTCKS-UHFFFAOYSA-N 465.151 6.648 50 10 JKGE Brc1cc(Br)c([C@H](Br)c2cc3ccccc3s2)s1 1922946578 SQBSYOAZYUANMU-GFCCVEGCSA-N 467.045 6.972 50 10 JKGE COc1ccsc1[C@@H](Cl)c1c(Br)sc(Br)c1Br 1924584290 WASTZTLLVMCQLW-ZETCQYMHSA-N 481.456 6.434 50 10 JKGE COc1sc([C@H](Cl)c2csc(Br)c2Br)cc1Br 1946722761 XRZIHCNSVPSVMA-MRVPVSSYSA-N 481.456 6.434 50 10 JKGE COc1sc([C@@H](Br)c2cc(Br)ccc2F)cc1Br 2034627902 AHPCWGGLEAEKJW-NSHDSACASA-N 458.972 5.905 50 10 JKGE C[C@]1(C(F)(F)F)C[C@H]1[C@H](Br)c1c(Br)sc(Br)c1Cl 2043571755 WVGCZNSJKKCHLW-AXDDTHNUSA-N 491.392 6.951 50 10 JKGE BrC[C@@]1(Cc2c(Br)cccc2Br)CCC=CCCC1 2094100810 WBBIAOHFLKTIHH-INIZCTEOSA-N 451.040 6.656 50 10 JKGE Brc1ccc(CN2C[C@@H]3CCC[C@H](Br)[C@H]3C2)c(Br)c1 2094581734 PTJDLQQYIJWZLI-BPNCWPANSA-N 452.028 5.207 50 10 JKGE Brc1cccc(Br)c1C[C@@H]1C[C@@H]2CCCC[C@H]2[C@@H]1Br 2095362353 JERIBSXAYIVUTD-PVTKRXDGSA-N 451.040 6.344 50 10 JKGE Clc1c(Br)sc(Br)c1[C@H](Br)[C@H]1CCn2ncnc2C1 2108969868 REQKTTLEQDIKRZ-YLWLKBPMSA-N 490.446 5.217 50 10 JKGE BrC[C@@H]1C[C@@H]2CC[C@H](C1)N2Cc1cc(Br)ccc1Br 2128152396 SOAGXRDIXXICNZ-ZOZIMZAQSA-N 452.028 5.350 50 10 JKGE Cc1c([C@@H](Br)c2cc(Cl)c(Br)cc2F)c(Br)nn1C 2131590708 SSSOHPCDJODAJE-NSHDSACASA-N 475.381 5.530 50 10 JKGE Brc1cc([C@H](Br)[C@@H]2C[C@H]2C2CCCCCC2)sc1Br 2135279530 NBTHTDSGLUNMKG-MISXGVKJSA-N 471.096 7.316 50 10 JKGE Cc1c(Br)ccc([C@H](Br)c2ccc([N+](=O)[O-])o2)c1Br 2138854933 VHXSWCLZENJPCL-LBPRGKRZSA-N 453.912 5.506 50 10 JKGE Cc1c(Br)ccc([C@H](Br)[C@H]2CCC[C@@H](C)CC2)c1Br 2138874857 ZRSUWDJNFLJGOE-RSAASHCRSA-N 453.056 7.172 50 10 JKGE CC1(C)CC2(C1)CC(CBr)(Cc1cccc(Br)c1Br)C2 2157154485 LBXNCJKNBFTRSG-UHFFFAOYSA-N 465.067 6.736 50 10 JKGE O=C(NC[C@H]1CCCC[C@H](Br)C1)c1cc(Br)ccc1Br 2163746355 RDJCZNJXRXXDGG-QWRGUYRKSA-N 468.027 5.285 50 10 JKGE CN(C(=O)c1cccc(Br)c1Br)C1(CBr)CC(C)(C)C1 2164567781 IIMRHNKXQKCHTL-UHFFFAOYSA-N 468.027 5.237 50 10 JKGE CCCCCC1CCC([C@H](Br)c2cc(Br)c(Br)s2)CC1 2168770861 XLVDYFYPFWDNIY-QOZQQMKHSA-N 487.139 8.096 50 10 JKGE CC1(C)[C@@H](OCc2ccccc2)C[C@H]1n1c(CCl)nc2cc(Cl)c(Br)cc21 2169014728 BPAWDQMJGHTRPZ-MOPGFXCFSA-N 468.222 6.747 50 10 JKGE Fc1cc(Br)cc(N2CC[C@H]3CCN(Cc4ccccc4)C[C@@H]3C2)c1CCl 2170696131 ZIWWCYWWMPMUEH-QZTJIDSGSA-N 451.811 5.675 50 10 JKGE C[C@]1(CC(CBr)(CBr)c2ccc(Br)cc2)CSCCO1 2201226328 HNOMSIAUOAEYGI-AWEZNQCLSA-N 487.095 5.389 50 10 JKGE Cc1c(Br)ccc([C@H](Br)c2ccc3c(c2)COC3)c1Br 2203689100 XHZXVGDRAIJOQV-MRXNPFEDSA-N 460.991 6.035 50 10 JKGE COc1c(C)cc(Br)cc1[C@H](Br)c1ccc(Br)c(F)c1 2206569749 QBLMWPLFUQBUDC-CQSZACIVSA-N 466.970 6.152 50 10 JKGE COc1c(C)cc(Br)cc1[C@H](Br)c1cc(C)ccc1Br 2206601129 ZTLNYWBLMGOHEB-OAHLLOKOSA-N 463.007 6.321 50 10 JKGE COc1cc(F)c(Cl)cc1[C@@H](Br)c1c(Br)cccc1Br 2207358466 XIELCVKQBRXYOS-CQSZACIVSA-N 487.388 6.497 50 10 JKGE CCc1nn(C)c([C@@H](Br)c2sc(Br)cc2Br)c1Cl 2224020031 FIAKSONORFUMGM-MRVPVSSYSA-N 477.447 5.707 50 10 JKGE ClCc1nc2cc(Br)c(Br)cc2n1[C@@H]1CCCN(Cc2ccccc2)C1 2225699858 BSTDUVMNIRVUPC-OAHLLOKOSA-N 497.662 6.137 50 10 JKGE Cc1cc(Br)c([C@H](Br)[C@H]2CCC[C@@H](C)C2)c(C)c1Br 2227352384 CBJJTJYJTJJXIU-RCAYSMOQSA-N 453.056 7.091 50 10 JKGE Cc1cc([C@@H](Br)c2ccc(F)c(Br)c2)cc(C)c1Br 2227419538 UUYCQVLWIDODBH-HNNXBMFYSA-N 450.971 6.452 50 10 JKGE Cc1cccc([C@@H](Cl)c2c(Br)cc(Cl)c(Cl)c2Cl)c1Br 2232511440 KIOALMJOFPFJAU-GFCCVEGCSA-N 477.838 7.808 50 10 JKGE Cc1ccc([C@H](Br)c2cc(F)c(F)c(F)c2F)cc1I 2232835116 YUFWZMWPGQXZKB-NSHDSACASA-N 459.018 5.640 50 10 JKGE CCOCc1cc(Br)c([C@H](Br)c2c(F)cccc2Br)s1 2233019111 GOYRLHWDXYROFM-CYBMUJFWSA-N 487.026 6.433 50 10 JKGE Clc1ccc(I)c(CN2CC[C@H]3[C@H](CCC[C@H]3Br)C2)c1 2233841747 DFICFYIVGAYRFG-BYCMXARLSA-N 468.604 5.330 50 10 JKGE COc1ccc([C@@H](Br)c2cc(Cl)cc(Cl)c2)cc1I 2269541844 JHQQABPDTHZPPN-CQSZACIVSA-N 471.947 6.091 50 10 JKGE Cc1cc(F)c(Br)cc1[C@H](Br)c1c(C)sc(Br)c1C 2270454685 YSSXHBVPGBUZNB-ZDUSSCGKSA-N 471.027 6.822 50 10 JKGE COc1c(Br)cc(Cl)cc1[C@H](Br)c1c(C)nsc1Br 2277889399 OVYPNYAJUFADHL-JTQLQIEISA-N 490.442 6.123 50 10 JKGE Fc1cc(Br)c(F)c(Br)c1[C@H](Br)C[C@@H]1C[C@H]1C(F)(F)F 2288361730 DLUWJCYRKCSMLH-KVQBGUIXSA-N 486.898 6.514 50 10 JKGE CC(C)c1ccccc1[C@H](Br)Cc1cc(Br)cc(Br)c1 2295339451 JBRJCBPMVIKBKJ-QGZVFWFLSA-N 461.035 7.014 50 10 JKGE COc1ccc(-c2nn(-c3ccccc3)cc2C=C(C#N)C(=O)N[C@H](C)c2ccccc2)cc1C 2296705021 GKHBXLDXLXEPNM-OAQYLSRUSA-N 462.553 5.641 50 10 JKGE Cc1ccc(S(=O)(=O)C(C#N)=Cc2cn(-c3ccccc3)nc2-c2ccc3c(c2)C[C@H](C)O3)cc1 2296730181 DPOWYYLKEVAQAM-FQEVSTJZSA-N 481.577 5.510 50 10 JKGE CCCCOC(=O)c1ccc(NC=C(C#N)c2nc(-c3ccc(CC(C)C)cc3)cs2)cc1 2296798324 BIASBTYNYLLRRZ-UHFFFAOYSA-N 459.615 6.942 50 10 JKGE CCOC(=O)c1c(NC(=O)C(C#N)=Cc2ccc(OCc3ccccc3)cc2)sc2c1CCCC2 2296832270 HLHXOYUZROZWAS-UHFFFAOYSA-N 486.593 5.928 50 10 JKGE Cc1ccc(C)c(NC(=O)C(C#N)=C2S[C@@H](Cc3ccccc3)C(=O)N2c2ccccc2)c1 2297019502 VJQUMSOOOFPVTA-DEOSSOPVSA-N 453.567 5.368 50 10 JKGE C[C@@H](C[C@@H](Br)c1cc(Br)ccc1OCc1ccccc1)C(F)(F)F 2299500883 JKUVBSRBCFXSAN-BLLLJJGKSA-N 466.135 7.053 50 10 JKGE Brc1cc(OCc2ccccc2)cc2c1CC[C@H](C1CC1)C[C@H]2Br 2299516723 DPBWGLPDAUFHBT-OXJNMPFZSA-N 450.214 6.827 50 10 JKGE COCc1ccc([C@@H](Br)c2cc(Br)sc2Br)s1 2299901856 OFTPXTXJLZYJLN-JTQLQIEISA-N 461.038 5.965 50 10 JKGE N#CC(=Cc1cc(Cl)ccc1OCc1ccc(Cl)cc1Cl)C(=O)Nc1ccc(Cl)cc1 2313638080 XWMJPCAFEGMDSC-UHFFFAOYSA-N 492.189 7.425 50 10 JKGE Fc1cc(Cl)c(Br)c(Cl)c1[C@H](Br)c1cscc1Cl 2313827226 PWDMCPLGUVPPFI-SECBINFHSA-N 453.385 7.094 50 10 JKGE Brc1ccc(OCc2ccccc2)c([C@@H](Br)[C@@H]2CCCCC23CC3)c1 2314439469 HVDKARKJUWWFRB-PZJWPPBQSA-N 464.241 7.435 50 10 JKGE CC1([C@@H](Br)c2cc(Br)ccc2OCc2ccccc2)CCCCCC1 2314502830 MJWKOBWWYKVNBD-NRFANRHFSA-N 466.257 7.825 50 10 JKGE Brc1cc([C@H](Br)[C@@H]2C[C@H]3CCC[C@H]2CC3)c(Br)s1 2316745030 UJBYCVOIGVHIGT-QISWUMQESA-N 457.069 6.926 50 10 JKGE Cc1nc(-c2ccc(Cl)c(Cl)c2)ccc1C(=O)NN=Cc1ccc(Cl)c([N+](=O)[O-])c1 2321248691 RYPVGDADVAWIPQ-UHFFFAOYSA-N 463.708 5.689 50 10 JKGE C[C@@H](c1ccncc1F)[C@H](Br)c1cc(Br)c(Br)s1 2321453335 SGTYZBLUANGYNZ-KGFZYKRKSA-N 457.988 6.047 50 10 JKGE CC[C@H](C)c1ccccc1NC=C(C#N)C(=O)N1CCN(C(c2ccccc2)c2ccccc2)CC1 2324609743 WWJVOEYJFNSICA-DEOSSOPVSA-N 478.640 5.953 50 10 JKGE Brc1cc(CC[C@@H](Br)c2ccccc2)ccc1I 2325205203 VIQRAHGCQIJJLV-CYBMUJFWSA-N 479.981 6.123 50 10 JKGE FC(F)(F)[C@H]1C[C@@H]([C@H](Br)c2c(Br)sc(Br)c2Cl)C1 2327679718 AHPMRIOVQUYFAI-RPDRRWSUSA-N 491.392 6.951 50 10 JKGE CC[C@H](C)[C@H](C(O)=C(C#N)c1nc(-c2cccc([N+](=O)[O-])c2)cs1)N1C(=O)c2ccccc2C1=O 2331236550 FAGARHMUTLNAEL-LHSJRXKWSA-N 488.525 5.222 50 10 JKGE COC(=O)c1ccccc1N1C[C@H](C(O)=C(C#N)c2nc(-c3ccc4ccccc4c3)cs2)CC1=O 2331237765 BSHGFKMIEREYAH-HXUWFJFHSA-N 495.560 5.596 50 10 JKGE COc1cc(C)c(-c2csc(C(C#N)=C(O)c3cc4ccccc4oc3=O)n2)cc1C(C)C 2331356076 KXRFTMUCNHZPFI-UHFFFAOYSA-N 458.539 6.307 50 10 JKGE CCCCCOc1ccc(C=C(C#N)c2nc(-c3ccc(OC)c(OC)c3)cs2)cc1OCC 2331417321 FRSCEZZANQMDIB-UHFFFAOYSA-N 478.614 6.859 50 10 JKGE CCOc1cc(C=C(C#N)c2nc(-c3ccc(C(C)(C)C)cc3)cs2)ccc1OCc1ccccc1 2331453326 FABBBDINQZJPFN-UHFFFAOYSA-N 494.660 8.149 50 10 JKGE CCOc1ccc(-c2csc(C(C#N)=Cc3ccc(OCc4ccccc4)cc3)n2)c(OCC)c1 2331473542 HDKQDCVDAMXVTP-UHFFFAOYSA-N 482.605 7.251 50 10 JKGE FC(F)c1cccc([C@H](Br)c2cc(Br)ccc2OCc2ccccc2)c1 2336038152 KPLMIGPNECFVOJ-FQEVSTJZSA-N 482.162 7.450 50 10 JKGE FC1(F)CCC[C@@H]2[C@H]([C@@H](Br)c3ccc(OCc4ccccc4)cc3Br)[C@@H]21 2336040447 FTZQMKBPOQRMSO-MDNKFWRPSA-N 486.194 7.146 50 10 JKGE Brc1cc(OCc2ccccc2)ccc1[C@H](Br)[C@]12CCCC[C@H]1CCC2 2336053774 LXEXRLIRNCEWAP-TZYHBYERSA-N 478.268 7.825 50 10 JKGE FC(F)(F)[C@@H]1CCO[C@@H]1[C@@H](Br)c1ccc(OCc2ccccc2)cc1Br 2336083102 HLEJFXFNVSBQCO-NJAFHUGGSA-N 494.145 6.432 50 10 JKGE CCc1cscc1[C@H](Br)c1c(Cl)cc(Br)c(F)c1Br 2337111032 HVQUBWRCNKBRSE-NSHDSACASA-N 491.445 7.112 50 10 JKGE Cn1nc(Br)c(Br)c1[C@@H](Cl)c1cc(F)c(Br)cc1F 2338722893 RKQYQORVLKCLRQ-VIFPVBQESA-N 479.344 5.314 50 10 JKGE CCCC[C@H](CC)[C@@H](Br)c1c(C)cc(Br)c(F)c1Br 2339645583 JGQXZNPQUIYHMN-GXFFZTMASA-N 459.035 7.312 50 10 JKGE Fc1cc(Cl)c([C@@H](Br)c2c(Cl)sc(Br)c2Cl)c(Cl)c1 2340796992 BRNXGHLBUNQNLS-MRVPVSSYSA-N 487.830 7.748 50 10 JKGE CCN(C[C@@](C)(CI)OCc1cccnc1C(C)C)C(=O)OC(C)(C)C 2342160191 HYHRPEKKOVFZRL-HXUWFJFHSA-N 476.399 5.172 50 10 JKGE CC1(C)C[C@@H](Br)CCN(Cc2cc(I)ccc2Cl)C1 2352415153 CUBAADHVIOBLPP-LBPRGKRZSA-N 456.593 5.330 50 10 JKGE Fc1ccccc1[C@@H](CBr)Cc1cc(I)ccc1Cl 2352428948 AUHFEPHKTGIZON-LLVKDONJSA-N 453.520 5.805 50 10 JKGE O=C(c1csc(Br)c1Br)N1C[C@H]2CCC[C@](CBr)(C2)C1 2357626730 MHWDOYZQNZEXTL-LKFCYVNXSA-N 486.067 5.300 50 10 JKGE BrC[C@H]1C[C@@H]2CCCC[C@@H]2N1Cc1ccc(Br)cc1Br 2358959908 RLZOQHXGIXIFMH-PEYYIBSZSA-N 466.055 5.740 50 10 JKGE Cc1cc(Br)c([C@H](Br)[C@H]2CC[C@@H]3C[C@H]2CO3)c(C)c1Br 2359124541 RYQRKHWWAJFUJX-MEQWQQMJSA-N 467.039 6.080 50 10 JKGE CS(=O)(=O)c1cccc([C@H](Cl)c2cc(Br)ccc2OCc2ccccc2)c1 2361179552 WWDCXTDPVHLMEN-NRFANRHFSA-N 465.796 5.760 50 10 JKGE Fc1c(Br)cc(Cl)c([C@H](Br)[C@@H]2C[C@H]3C[C@H]2[C@H]2C[C@@H]23)c1Br 2362252236 DSFZJVKRJDYBAK-DCBYBZGNSA-N 487.432 6.732 50 10 JKGE Cc1nc(Br)c([C@H](Br)c2c(F)cc(F)c(Br)c2F)n1C 2362444546 NGDGRPJUQIYJJI-SECBINFHSA-N 476.916 5.155 50 10 JKGE COc1c(Br)cc(C)c([C@H](Br)[C@@H]2C[C@H]2C(F)(F)F)c1Br 2365191175 LUDWBIUCKIWYFD-BRDIYROLSA-N 480.944 6.163 50 10 JKGE COc1c(Br)cc(C)c([C@H](Br)[C@H]2[C@H]3C[C@@H]4[C@H]2[C@@H]4C3)c1Br 2365217054 AGXJZPFQGUHFTL-NMRXJPOZSA-N 465.023 5.867 50 10 JKGE C[C@@H](Br)CN(CC(C)(C)C)C(=O)c1ccc(Cl)cc1I 2365589912 AOBSXALFBBCKLK-SNVBAGLBSA-N 472.592 5.216 50 10 JKGE O[C@](CCCl)(Cc1ccc(I)c(Br)c1)c1ccccc1 2377264594 VYRDMZBVZLTWBF-MRXNPFEDSA-N 465.556 5.113 50 10 JKGE C=CCOc1ccc(Cl)cc1/C=C(/C#N)C(=O)Nc1ncc(Cc2ccc(Cl)cc2)s1 1906016 KJWWXWCWLUEOSD-BOPFTXTBSA-N 470.381 6.151 50 10 JKGE CC[C@@H](Oc1ccc(-c2ccccc2)cc1)C(=O)NNC(=O)[C@@H](C)Oc1ccc(Cl)cc1Cl 14768615 XQMQTHPUTYIWDH-OPAMFIHVSA-N 487.383 5.433 50 10 JKGE COc1cccc(/C=C(/C#N)c2nc3ccccc3[nH]2)c1OCc1ccc(Cl)cc1Cl 33400022 YQNLSHNSKHHOAD-BOPFTXTBSA-N 450.325 6.521 50 10 JKGE CCCCOc1ccc(/C=C(/C#N)C(=O)Nc2ncc(Cc3ccc(Cl)cc3)s2)cc1OC 35419469 USLRKBDVRLCLIE-UNOMPAQXSA-N 482.005 6.120 50 10 JKGE COc1ccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4ccc(OCC(C)C)cc4)ccc32)cc1 38650360 NVJVMOLOBDPKJW-SANMLTNESA-N 470.525 5.167 50 10 JKGE CC(C)COc1ccc(C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@@H]3c2cccc(F)c2)cc1 38678131 PDWUDSSCEFHVJC-RUZDIDTESA-N 458.489 5.298 50 10 JKGE C=CCOc1ccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4cccc(Cl)c4)ccc32)cc1OC 38681153 DIGDASJEBZDKRY-RUZDIDTESA-N 488.927 5.351 50 10 JKGE COc1cc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4ccccc4C)ccc32)ccc1OCC(C)C 38684107 FRKSHXCLGSSAPI-MHZLTWQESA-N 484.552 5.476 50 10 JKGE N#Cc1ccccc1COc1c(Cl)cc(/C=N\NC(=O)CC[C@@H](O)c2ccccc2)cc1Cl 58889457 AOFAQBAEBQYLML-KGLTWBCMSA-N 482.367 5.408 50 10 JKGE O=C(CCCNc1ccccc1)N/N=C/c1ccccc1OCc1cccc(Br)c1 59507834 XKKLACDHVQFYPI-WPWMEQJKSA-N 466.379 5.371 50 10 JKGE COc1ccc(/C=C(/C#N)C(=O)Nc2ccc([N+](=O)[O-])cc2)cc1OC(=O)c1cccc2ccccc12 96401915 CJVJAUAGLPKEAU-HKWRFOASSA-N 493.475 5.521 50 10 JKGE BrC[C@@H](Cc1cccc(Br)c1)Cc1cc(Br)cs1 97184733 PJQRLLXGQMWZIM-NSHDSACASA-N 453.037 6.069 50 10 JKGE CCCCCN1C(=O)C(C#N)=C(C)/C(=C\c2cn(-c3ccccc3)nc2-c2ccc(OCC)cc2)C1=O 101333199 IMTRUHNEGYXMRH-NLRVBDNBSA-N 494.595 5.720 50 10 JKGE COC(=O)c1ccc(C(=O)OC)c(N/C=C(/C#N)c2nc(-c3cccc(Br)c3)cs2)c1 102417059 UUESWGUPQBGEHC-PTNGSMBKSA-N 498.358 5.122 50 10 JKGE COc1cc(Cl)ccc1[C@H](Br)c1cc(Br)sc1Br 109869857 QEPWPFPZYYWYDS-NSHDSACASA-N 475.427 6.419 50 10 JKGE Fc1ccc(COc2ccc(CBr)cc2Br)cc1Br 110379512 HHYCOGPPFGGRRU-UHFFFAOYSA-N 452.943 5.825 50 10 JKGE COc1ccc([C@H](Br)c2cccc(F)c2Br)c(Br)c1 156111964 KXSFQGVVVLLNNE-ZDUSSCGKSA-N 452.943 5.844 50 10 JKGE N#CC1=C(N)Oc2cc(OC(=O)/C=C\c3ccccc3)ccc2[C@@H]1c1cccc(Oc2ccccc2)c1 205651957 RWFWKEJLCMUXNT-GVDXOYGXSA-N 486.527 6.316 50 10 JKGE COC(=O)/C(C#N)=C\c1cccc(OC(=O)/C=C/c2ccc(OCc3ccc(C)cc3)cc2)c1 206745061 ZJHRADLFGAXOON-SMDHAYCWSA-N 453.494 5.273 50 10 JKGE Cc1cc(C)cc(N/C=C(/C#N)C(=O)N2CCN(C(c3ccccc3)c3ccccc3)CC2)c1 216504275 VUVXFQFWTWBEJT-QLYXXIJNSA-N 450.586 5.057 50 10 JKGE CCOc1ccc(-c2cc(C(=O)NN=Cc3cc(C(C)(C)C)c(O)c(C(C)(C)C)c3)[nH]n2)cc1 252620509 MFGMPVSONLLUOM-UHFFFAOYSA-N 462.594 5.540 50 10 JKGE CCCCCCCCOc1ccc(-c2cc(C(=O)NN=C/C(Cl)=C\c3ccccc3)[nH]n2)cc1 254408269 GVRLADFGNUCRHX-VFQUGVTLSA-N 479.024 6.812 50 10 JKGE Nc1c(C(=O)NN=Cc2ccc3c(c2)OCO3)sc2nnc(-c3ccccc3)c(-c3ccccc3)c12 254509088 LIEPJQCUHYZGTJ-UHFFFAOYSA-N 493.548 5.100 50 10 JKGE CC(=NNC(=O)c1csc(C(C)C)c1)c1ccc(NC(=O)C(F)(F)C(F)(F)C(F)(F)F)cc1 254843875 BJJBNRQFFCJMTO-UHFFFAOYSA-N 497.436 5.797 50 10 JKGE Cc1c(C(=O)Nc2ccc(N=Nc3ccccc3)cc2)oc2c1/C(=N\NC(N)=O)CC(C)(C)C2 256018832 ONIUUQKROIAWAO-IRISRUAMSA-N 458.522 5.601 50 10 JKGE CCCO[C@@H]1[C@@H](Cl)C[C@H]1Oc1c(Br)cc(Br)cc1Br 300473307 PFRADKDKURBXNK-DMDPSCGWSA-N 477.418 5.528 50 10 JKGE O=C(c1cc(C(F)(F)F)ccc1Br)N(CCBr)Cc1ccccc1 303403235 FQQUALSSHUBWRU-UHFFFAOYSA-N 465.107 5.505 50 10 JKGE Brc1cc2c(cc1[C@H](Br)c1csc(I)c1)CCO2 308417344 QAVARMZJFCNTRV-CYBMUJFWSA-N 499.993 5.534 50 10 JKGE Cc1cc(C)c([C@H](Br)c2cc(F)ccc2Br)c(C)c1Br 312665681 WXQSZMNHMOHOJP-MRXNPFEDSA-N 464.998 6.760 50 10 JKGE Brc1ccc([C@H](Br)c2ccc(OCc3ccccc3)cc2)c2ccccc12 312700012 PCKAWKPNODWCCM-XMMPIXPASA-N 482.215 7.666 50 10 JKGE Cc1cc(Br)c([C@@H](Br)C(C2CCC2)C2CCC2)cc1Br 380272916 YJOAQOYGZFVKBK-QGZVFWFLSA-N 465.067 7.172 50 10 JKGE CC(C)(C)[Si](C)(C)OCCc1ccccc1[C@@H]1COCCN(CCO[Si](C)(C)C(C)(C)C)C1 616596767 BOZORWINSMFMRT-DEOSSOPVSA-N 493.881 6.689 50 10 JKGE CC(C)(C)[Si](C)(C)OCCc1ccccc1[C@@H]1CCCCCN1CCO[Si](C)(C)C(C)(C)C 616629804 MGTFVBOVRFHKFS-SANMLTNESA-N 491.909 8.190 50 10 JKGE COCc1cc(Br)c([C@@H](Br)c2ccc(F)c(Br)c2)s1 688149536 XIZPHERXYIHIAF-LBPRGKRZSA-N 472.999 6.043 50 10 JKGE Clc1cccc(C[C@H](CBr)c2ccc(Br)cc2)c1Br 719419101 CTOXZQFSSOPYLX-GFCCVEGCSA-N 467.426 6.586 50 10 JKGE COCCc1ccc([C@H](Cl)c2ccc(I)c(Br)c2)cc1 721573257 QFEVJSWOVLGWQR-INIZCTEOSA-N 465.556 5.571 50 10 JKGE Clc1ccc([C@H](Br)c2ccc(I)c(Br)c2)cc1 721587381 LQHBQZPMQACLGQ-ZDUSSCGKSA-N 486.372 6.191 50 10 JKGE Fc1cccc([C@H](Br)Cc2ccc(Cl)c(Cl)c2)c1I 721735997 JMIPFJJKEGDEKV-SNVBAGLBSA-N 473.938 6.416 50 10 JKGE CC(C)(C)c1ccc(OCC(=O)NN=C2C(=O)N(Cc3ccccc3Cl)c3ccccc32)cc1 1083905534 SHSUZHJECGOSRM-UHFFFAOYSA-N 475.976 5.084 50 10 JKGE CCOc1ccc([C@H](O)CCC(=O)NN=Cc2cc(Cl)c(OCc3ccccc3)c(OC)c2)cc1 1083977230 BJCCMJVFPAAIFZ-XMMPIXPASA-N 496.991 5.290 50 10 JKGE COc1ccc(CC(=O)NN=Cc2ccc(OCc3ccc(Cl)cc3Cl)cc2)cc1OC 1084286876 MARRVFSEQXEPBO-UHFFFAOYSA-N 473.356 5.282 50 10 JKGE COc1ccccc1[P+](Cc1ccc(C#N)cc1)(c1ccccc1OC)c1ccccc1OC 1615947427 LBOLGIZMCOTDKH-UHFFFAOYSA-N 468.513 5.078 50 10 JKGE Cc1ccc(NC(=O)c2oc3c(c2C)C(=NNC(=O)c2ccc(Br)cc2)CCC3)cc1 1772743609 GMBLLWNDWGVMOR-UHFFFAOYSA-N 480.362 5.382 50 10 JKGE CCCCOc1ccc([C@H]2C(C#N)=C(N)Oc3c2c(-c2ccc(OC)cc2)nn3CCC)cc1 1865690303 NZRRRTLVGCVBIZ-QHCPKHFHSA-N 458.562 5.366 50 10 JKGE CCCCCOc1ccc([C@H]2C(C#N)=C(N)Oc3c2c(CC)nn3-c2ccccc2Cl)cc1 1865692968 KIFQHXYQDWOVEA-QHCPKHFHSA-N 462.981 5.875 50 10 JKGE CCCOc1ccc([C@H]2C(C#N)=C(N)Oc3c2c(CC)nn3Cc2ccc(Cl)c(Cl)c2)cc1 1865693338 IWEVDBZAXJDWID-QFIPXVFZSA-N 483.399 5.808 50 10 JKGE CCOc1ccc([C@H]2C(C#N)=C(N)Oc3c2c(-c2ccc(OC)cc2)nn3-c2ccccc2)cc1 1865693955 NDUXIWLASOXADM-DEOSSOPVSA-N 464.525 5.165 50 10 JKGE COc1ccc(-c2nn(-c3cccc4ccccc34)c3c2[C@H](c2cccnc2)C(C#N)=C(N)O3)cc1 1865700284 OVCOIEMNXUPORT-RUZDIDTESA-N 471.520 5.314 50 10 JKGE CCc1nn(-c2ccccc2Cl)c2c1[C@H](c1cc(Br)ccc1F)C(C#N)=C(N)O2 1865702364 UHAPLFVTCOBZGF-GOSISDBHSA-N 473.733 5.208 50 10 JKGE Cc1nc(-c2ccc(F)cc2)ccc1C(=O)NNC(=O)CCCOc1ccc(Cl)cc1Cl 1865758048 GXWACAFROAYMFC-UHFFFAOYSA-N 476.335 5.123 50 10 JKGE O=C(Oc1cccc2c1C(=O)OC2=O)c1ccc(-c2ccc(Cl)c(Cl)c2)nc1C(F)(F)F 1865788333 YBDLKLRGZXSOAE-UHFFFAOYSA-N 482.197 5.604 50 10 JKGE CCOC(=O)c1c(-c2ccc(F)cc2)csc1NC(=O)/C(C#N)=C/c1ccc(Br)cc1 1866129491 WXPNBJFTDFRXOL-LFIBNONCSA-N 499.361 6.039 50 10 JKGE CCCc1nc(Nc2ccc(SC#N)cc2)cc(N2[C@H](Cc3ccccc3)COCC2(C)C)n1 1868389516 WYFBPCWKBIXZHP-JOCHJYFZSA-N 473.646 5.972 50 10 JKGE CC(C)[C@H]1c2[nH]cnc2CCN1c1cc(Nc2ccc(SC#N)cc2)nc(-c2ccc(F)cc2)n1 1868456104 KBJVKDSZGPLMAX-VWLOTQADSA-N 485.592 6.082 50 10 JKGE Cc1nc(Nc2ccc(SC#N)cc2)cc(N2CCc3ccccc3[C@H]2CCc2ccccc2)n1 1868480124 HDLCCYIKQHGNBF-HHHXNRCGSA-N 477.637 6.838 50 10 JKGE COc1ccc(OC)c(C/C(O)=C(\C#N)c2nc(-c3ccc(Br)cc3)cs2)c1 1872746279 APHAEGCPOVAXDU-ZPHPHTNESA-N 457.349 5.625 50 10 JKGE CC(C)C[C@H](/C(O)=C(\C#N)c1nc(-c2cccc(Cl)c2)cs1)N1C(=O)c2ccccc2C1=O 1872748194 MQGMYOODKRLMKD-DQVIVYRFSA-N 477.973 5.967 50 10 JKGE CC(=O)Oc1ccc(/C(O)=C(\C#N)c2nc(-c3ccc(Oc4ccccc4)cc3)cs2)cc1 1872753617 GIEPZJSLFANVID-BZZOAKBMSA-N 454.507 6.478 50 10 JKGE Cc1ccc(C(C)(C)C)cc1-c1csc(/C(C#N)=C(\O)Cc2ccc(Cl)c(Cl)c2)n1 1872756139 SEBDMLVHDJEKSW-PYCFMQQDSA-N 457.426 7.758 50 10 JKGE COc1cc(/C=C(\C#N)c2nc(-c3ccccc3)cs2)ccc1OCCCc1ccccc1 1872790007 DYDMHNJEAHQKIV-JJIBRWJFSA-N 452.579 6.894 50 10 JKGE N#C/C(=C\c1ccc(OCc2ccccc2)cc1)c1nc(-c2ccc(Cl)c(Cl)c2)cs1 1872790689 YWXKMYUJJVEDBP-UDWIEESQSA-N 463.389 7.760 50 10 JKGE COc1cc(/C=C(\C#N)c2nc(-c3cc(C)ccc3OC)cs2)ccc1OCc1ccccc1 1872790926 LYSQYEAUAPMFTL-HYARGMPZSA-N 468.578 6.779 50 10 JKGE COc1c(Cl)cc(Cl)cc1-c1csc(/C(C#N)=C/c2cc(Br)ccc2O)n1 1872792500 CBAJKYKXTCBYAJ-NYYWCZLTSA-N 482.186 6.658 50 10 JKGE COc1ccc(-c2csc(/C(C#N)=C/c3cccc(OC)c3OCc3cccc(C)c3)n2)c(OC)c1 1872793771 RYKQYWXOUJAIEG-HYARGMPZSA-N 498.604 6.788 50 10 JKGE ClCC[C@@H](COCc1ccccc1)NCc1cccc(Br)c1Br 1902891904 LAVCNLZHZMUOEM-INIZCTEOSA-N 461.625 5.516 50 10 JKGE O=C(Cc1ccccc1I)N(Cc1ccccc1)C1(CCl)CCC1 1915766593 DQMKYZQHRUYWKO-UHFFFAOYSA-N 453.751 5.024 50 10 JKGE Cc1cc([C@@H](Br)c2cc(Br)cc3c2OCC3)oc1Br 1917594636 HUOHPPXZPMDZRO-LBPRGKRZSA-N 450.952 5.532 50 10 JKGE Cn1ncc([C@H](Br)c2sc(Br)cc2Br)c1Br 1922890191 BFXHQUOBMSPEBG-ZETCQYMHSA-N 493.844 5.253 50 10 JKGE CCCCCC[C@@H](Br)c1c(Br)sc(Br)c1Br 1924580686 UMCRFOBXSOGJJF-SSDOTTSWSA-N 497.916 7.442 50 10 JKGE Cl[C@@H](c1c(Br)sc(Br)c1Br)[C@H]1CC12CCOCC2 1924607511 VZBBEGXLRCMRKB-HZGVNTEJSA-N 479.459 6.132 50 10 JKGE Clc1cc([C@H](Cl)c2c(Cl)sc(Cl)c2Cl)ccc1I 1925590642 YTMGFBMXLGMUOT-QMMMGPOBSA-N 472.389 7.295 50 10 JKGE Cc1cc([C@@H](Cl)c2cc(Br)ccc2Br)c(Br)s1 1951020292 VMTCXESXLXDXCF-NSHDSACASA-N 459.428 6.672 50 10 JKGE Cc1cc(Br)c(CBr)c(N2CCN(Cc3ccccc3)[C@H](C)C2)c1 2005452229 FTQGNQNGCLSDKO-MRXNPFEDSA-N 452.234 5.363 50 10 JKGE IC[C@@H]1CCC[C@@]2(CN(Cc3ccccc3)C3(CCCCCC3)C2)O1 2038914974 WDCFWGIEGDKKDV-RBBKRZOGSA-N 453.408 5.728 50 10 JKGE O=C(NN=CC(Cl)=Cc1ccccc1)c1ccc(NN=CC(Cl)=Cc2ccccc2)cc1 2042446289 CFEUJCDNAHZPSL-UHFFFAOYSA-N 463.368 6.360 50 10 JKGE FC1(F)CC[C@@H]2[C@H]([C@H](Br)c3c(Br)sc(Br)c3Cl)[C@@H]21 2051238223 HZMXVQURPPZTQH-LCZOEFHHSA-N 485.413 6.654 50 10 JKGE COCCCCCC(CBr)(CBr)c1ccc(Br)cc1 2099279529 BSLDTOKGLPFHBG-UHFFFAOYSA-N 457.044 5.684 50 10 JKGE C[C@H](c1cc(Br)cs1)N(C)c1ccc(Br)cc1CBr 2130024418 YIUSTOKLNYUNPZ-SECBINFHSA-N 468.052 6.365 50 10 JKGE Cc1cc(Br)c(C)c([C@H](Br)[C@@H](C)CC(C)(C)C)c1Br 2136366595 JNYGGWOLZBRAPN-ZUZCIYMTSA-N 455.072 7.337 50 10 JKGE Cc1cc(Cl)c([C@@H](Br)c2cc(Cl)ccc2I)cc1Cl 2136698478 WMUZDKRVVVTRBF-CQSZACIVSA-N 490.393 7.044 50 10 JKGE Cc1c(Br)ccc([C@H](Br)c2nn(C)c(Cl)c2Cl)c1Br 2138861527 HBQOKQMXPJSJBO-VIFPVBQESA-N 491.836 6.045 50 10 JKGE BrCc1cc(Br)cc(Br)c1OCC1C2(CC2)C12CC2 2139181331 OLTHGXOPTPQAHW-UHFFFAOYSA-N 450.996 5.676 50 10 JKGE O=C(N[C@H]1CCCC[C@H]1CCBr)c1cc(Br)cc(Br)c1 2146720589 URFMNCNNYDAGDY-HZMBPMFUSA-N 468.027 5.285 50 10 JKGE CCn1ncc(Br)c1[C@@H](Br)c1cc(Cl)c(Cl)c(Cl)c1Cl 2150665385 QIXUTUKZSXAIBE-QMMMGPOBSA-N 481.830 6.763 50 10 JKGE CC(C)(C)C[C@@H](CBr)CNC(=O)c1cccc(Br)c1Br 2156324281 RVNLPJRNFIEENG-JTQLQIEISA-N 470.043 5.389 50 10 JKGE C[C@@H]1CCO[C@@H]1CCC(CBr)(CBr)c1ccccc1Br 2157326960 QUQLYPBUIIWIOL-IUODEOHRSA-N 469.055 5.682 50 10 JKGE C[C@@H]1CN(Cc2ccccc2)C[C@H]1Cn1c(CCl)nc2cc(Cl)c(Br)cc21 2169015079 HVFYLFZXRBVZMP-ZBFHGGJFSA-N 467.238 5.959 50 10 JKGE O=C(c1ccc(I)c(Cl)c1)N(CCBr)Cc1ccsc1 2171085308 LYVVWLVJZICVMO-UHFFFAOYSA-N 484.584 5.043 50 10 JKGE Clc1cc(CC(CBr)(CBr)Cc2ccccc2)c(Cl)s1 2195408271 YWCNJYHZZXTTNK-UHFFFAOYSA-N 457.058 6.616 50 10 JKGE Fc1cc(Br)c([C@@H](Cl)c2ccc(Br)c(Cl)c2)c(F)c1Cl 2201610643 IWXAFZJPJZKOCK-NSHDSACASA-N 465.346 7.125 50 10 JKGE F[C@]12CCC[C@@]1(CBr)CN(Cc1ccc(I)c(Cl)c1)C2 2208028806 GSQUSWDOVHHZPZ-CABCVRRESA-N 472.567 5.034 50 10 JKGE FC(F)C(F)(F)[C@H](Br)c1c(Br)cc(Cl)c(Cl)c1Cl 2217616813 ADJLXPBMIZORGR-SSDOTTSWSA-N 453.282 6.746 50 10 JKGE Cc1sc([C@H](Br)c2cc(Br)ccc2Br)c(C)c1C 2221239074 XJCKCOVGSJFYKP-CYBMUJFWSA-N 453.037 6.683 50 10 JKGE O=C(Nc1ccccc1CBr)c1scc(Br)c1Br 2222936696 HGWDGRJZXZRJPA-UHFFFAOYSA-N 453.981 5.420 50 10 JKGE CC[C@@H]1OCC[C@H]1[C@@H](Br)c1c(Br)cc(Cl)c(Cl)c1Cl 2224302432 LQXNRGDQJOXLRA-OUAIYISWSA-N 451.413 6.660 50 10 JKGE CCOCc1cc(Br)c([C@H](Br)c2ccc(OCc3ccccc3)cc2)s1 2224791771 IELOKMVKMNDGGJ-HXUWFJFHSA-N 496.264 7.110 50 10 JKGE Fc1cc(Br)c(Br)cc1[C@H](Br)Cc1ccccc1Cl 2225617806 RRITZWQZUYDBIK-SNVBAGLBSA-N 471.389 6.683 50 10 JKGE Fc1cc(Br)c(Br)cc1[C@@H](Cl)Cc1cccc(Br)c1 2225632688 DSZANQRWFQMCOO-ZDUSSCGKSA-N 471.389 6.636 50 10 JKGE Cc1cc(Br)c([C@H](Br)C[C@@H]2CCO[C@H]2C)c(C)c1Br 2227360153 PISFPAJFMYSQIB-GMXVVIOVSA-N 455.028 6.080 50 10 JKGE Clc1ccc(C[C@H](Br)c2c(Br)cc(Cl)c(Cl)c2Cl)cc1 2232511115 JBPZFCDMQUGQIS-VIFPVBQESA-N 477.838 7.741 50 10 JKGE Cc1cc(Br)c([C@H](Br)CC(C2CC2)C2CC2)c(C)c1Br 2235610464 QRSLVIKPIWZDLF-OAHLLOKOSA-N 465.067 7.091 50 10 JKGE C[C@@H]1Cc2cc(Br)cc([C@@H](Br)c3cocc3Br)c2O1 2270487589 GKRURNQYTHKUIH-FUXBKTLASA-N 450.952 5.612 50 10 JKGE Cc1c(Br)csc1[C@@H](Cl)c1c(F)cc(Br)c(F)c1Br 2272721409 HVKICLOOWAFNNG-JTQLQIEISA-N 495.408 6.950 50 10 JKGE COc1ccc([C@H](Cl)c2cc(I)ccc2Br)c(C)c1C 2284515899 LRAHRZNBXRQIAU-INIZCTEOSA-N 465.556 6.007 50 10 JKGE COc1c([C@@H](Br)c2c(Br)cnn2C)cc(Br)c(C)c1C 2284588955 RCZQGWDCUXPJKV-GFCCVEGCSA-N 466.999 5.055 50 10 JKGE Fc1cc(Br)c(F)c(Br)c1[C@@H](Br)[C@H]1CC12CCOCC2 2288344994 BFUXHYHJVXJUIJ-HQJQHLMTSA-N 474.965 5.743 50 10 JKGE Cc1cc(C(F)(F)F)sc1[C@@H](Br)c1ccc(Br)cc1Br 2295060525 UNZRCNJYMSFFQV-NSHDSACASA-N 492.980 7.085 50 10 JKGE CO[C@@H]1C[C@H]([C@H](Br)Cc2cc(Br)cc(Br)c2)C12CCC2 2295329718 LZOKPBWGCMKNKX-RBSFLKMASA-N 467.039 5.723 50 10 JKGE FC(F)(F)c1sccc1[C@H](Br)Cc1cc(Br)cc(Br)c1 2295330936 BOQQMOBUONJIOW-LLVKDONJSA-N 492.980 6.971 50 10 JKGE CSc1cccc(NC(SCc2cccc(Cl)c2)=C(C#N)S(=O)(=O)c2ccccc2)c1 2297350104 VWMRUYKFHSNACL-UHFFFAOYSA-N 487.071 6.574 50 10 JKGE N#CC(=Cc1c(OCc2ccc([N+](=O)[O-])cc2)ccc2ccccc12)C(=O)NCc1ccco1 2297556232 UMQWIMPHMKYJNR-UHFFFAOYSA-N 453.454 5.143 50 10 JKGE Brc1cc(OCc2ccccc2)ccc1[C@H](Br)[C@@H]1C[C@H]2CC[C@@H]1C2 2299525430 NRXNFNYNFMIBER-HXQKEGBBSA-N 450.214 6.900 50 10 JKGE Brc1ccc(OCc2ccccc2)c([C@@H](Br)[C@@H]2C[C@@H]3C[C@@H]3CO2)c1 2299525970 SWFVQCDSLJXWFQ-IDENBPMYSA-N 452.186 5.889 50 10 JKGE C[C@H]1CC[C@H]([C@H](Br)c2ccc(OCc3ccccc3)cc2Br)CC1 2299529632 DWCDONANAIAWJS-WJPUGNRLSA-N 452.230 7.290 50 10 JKGE CC1(C)C[C@@H]1CC[C@H](Br)c1ccc(OCc2ccccc2)cc1Br 2299534744 HGVUNWAWIQFSKJ-LPHOPBHVSA-N 452.230 7.290 50 10 JKGE Clc1cc(I)c([C@@H](Cl)c2c(Cl)cccc2Br)s1 2300996146 YDPAQIVMXHUWGN-JTQLQIEISA-N 482.395 6.750 50 10 JKGE COc1cc(C=C(C#N)C(=O)Nc2cccc(C)c2)ccc1OCc1c(Cl)cccc1Cl 2313636855 SAEFCNBPBHRIAF-UHFFFAOYSA-N 467.352 6.435 50 10 JKGE Brc1cc(OCc2ccccc2)ccc1[C@@H](Br)[C@@H]1[C@H]2[C@H]3CC[C@@H](C3)[C@H]21 2314448297 GROLRTZIIODTPC-NIGMEOSOSA-N 462.225 6.756 50 10 JKGE Brc1ccc(OCc2ccccc2)c([C@@H](Br)[C@@H]2[C@H]3[C@H]4CC[C@@H](C4)[C@H]32)c1 2314450127 WGBZOINTDSTTFC-NIGMEOSOSA-N 462.225 6.756 50 10 JKGE N#CC(=Cc1ccc(-c2ccccc2Cl)o1)c1nc(-c2ccc(Br)cc2)cs1 2314457075 XVALJNHLBHTEBI-UHFFFAOYSA-N 467.775 7.550 50 10 JKGE CCCOc1ccc(-c2nn(-c3ccccc3)cc2C=C(C#N)C(=O)NCCCOC)cc1Cl 2314476921 XZKHAWRYOBMUBM-UHFFFAOYSA-N 478.980 5.041 50 10 JKGE CC1=C(C#N)C(=O)N(C(C)C)C(=O)C1=Cc1ccc(OCc2ccc(Cl)cc2Cl)cc1 2314611515 WDUVHOVBLYLWRL-UHFFFAOYSA-N 455.341 5.573 50 10 JKGE N#CC1=C(N)Oc2cc(OC(=O)C=Cc3ccc(Cl)cc3Cl)ccc2[C@H]1c1ccccc1F 2314634136 QHBDZQNIDDVLTI-XMMPIXPASA-N 481.310 5.969 50 10 JKGE CCCOc1ccc(C=C(C#N)C(=O)Oc2ccc(-c3ccccc3)cc2Br)cc1 2314736589 PEPSNBIZDWPLBM-UHFFFAOYSA-N 462.343 6.417 50 10 JKGE C[C@@H]1CC[C@H]([C@@H](Br)c2c(Cl)cc(Br)c(F)c2Br)O1 2315448206 XQEFLRYZAWPQMD-DPKJLXEKSA-N 465.382 6.008 50 10 JKGE BrCC[C@H]1CCCCN1Cc1ccc(I)c(Br)c1 2325224383 WTILINFVZSFPMT-GFCCVEGCSA-N 487.017 5.193 50 10 JKGE COc1ccc(OC)c(C=CC(=O)NCc2ccc(OC(=O)Nc3ccc(SC#N)cc3)cc2)c1 2329390635 HMIRGCMDNKYMEM-UHFFFAOYSA-N 489.553 5.217 50 10 JKGE CCCCOc1ccc(C=C(C#N)c2nc(-c3cc(C(C)(C)C)ccc3OC)cs2)cc1OC 2331461129 NJYRFAIGDJXOPB-UHFFFAOYSA-N 476.642 7.368 50 10 JKGE Fc1cc(Cl)c(Br)c(Cl)c1[C@@H](Br)c1cc(Cl)c(Cl)s1 2335290468 PWESTESNUADSDX-VIFPVBQESA-N 487.830 7.748 50 10 JKGE CN(Cc1ccc(Cl)c(I)c1)[C@H]1CCCCC[C@@H]1Br 2337228922 CLPJPYXHHQFTSU-WFASDCNBSA-N 456.593 5.473 50 10 JKGE Cc1c(Br)ccc([C@H](Cl)c2c(Br)nc(C)n2C)c1Br 2337283420 OOQXVYUZMVUTKU-NSHDSACASA-N 471.418 5.653 50 10 JKGE COc1ccc(CC[C@H](Br)c2sc(Cl)cc2I)cc1 2338558889 PYRXITVVSJXKLA-NSHDSACASA-N 471.585 6.084 50 10 JKGE COc1ccc(C[C@H](Br)c2sc(Cl)cc2I)cc1F 2338779764 ZEJHKWDHKNKBRO-QMMMGPOBSA-N 475.548 5.833 50 10 JKGE CCC[C@@H]1CC[C@H](Br)[C@H](Cc2ccc(Cl)cc2I)C1 2341046900 GFGIJDYVMCLVNL-ZLDLUXBVSA-N 455.605 6.467 50 10 JKGE C[C@H]1[C@H](Br)C[C@H]2CC[C@H]1N2Cc1ccc(I)c(Br)c1 2349848249 QZFSNELULUYVLO-AYIJCJCZSA-N 499.028 5.190 50 10 JKGE CN(Cc1c(Br)c(Br)nn1C)c1cccc(Br)c1CCl 2364376954 POIIBIHYOPPXCE-UHFFFAOYSA-N 486.433 5.083 50 10 JKGE CN(CC[C@@H](Br)c1cccs1)Cc1cc(Br)ccc1Br 2366202344 OFMQCRNXLIEYRT-CQSZACIVSA-N 482.079 6.231 50 10 JKGE COc1c(F)cc([C@H](Br)c2ccc(I)c(Cl)c2)cc1F 2370436876 JZUBGIGIMLYBAT-CYBMUJFWSA-N 473.482 5.716 50 10 JKGE Cc1ccc(OCc2cc(I)ccc2Cl)c(CBr)c1Cl 2380345867 GGWVDAQUIMBIBK-UHFFFAOYSA-N 485.974 6.380 50 10 JKGE Cc1cccc(C[C@@H](CBr)Cc2cc(I)ccc2Cl)c1 2380466515 MURZRKWTPXQENR-CQSZACIVSA-N 463.584 6.049 50 10 JKGE CCN(CC)c1ccc(/C=N/NC(=O)c2ccc(NC(=O)c3ccccc3Br)cc2)cc1 3090790 MRSPNJDJGAWLPW-WPWMEQJKSA-N 493.405 5.312 50 10 JKGE CCCCOC(=O)c1ccc(NC(=O)/C(C#N)=C\c2ccc(-c3ccc(Cl)cc3Cl)o2)cc1 9404557 LQYAHIOVPPUACJ-LGMDPLHJSA-N 483.351 6.756 50 10 JKGE CCCCCCOc1ccc(C(=O)NNC(=O)c2ccccc2OCCc2ccccc2)cc1 10509386 CTOCVWPZUYDKFV-UHFFFAOYSA-N 460.574 5.342 50 10 JKGE COc1ccc(/C=C(\C#N)C(=O)Nc2ccc3c(c2)OCCO3)cc1COc1cccc2cccnc12 20258630 TWDVYBVRWRZVAI-KGENOOAVSA-N 493.519 5.139 50 10 JKGE Cc1ccc(-n2c(S[C@@H](C)C(=O)C(C#N)=C3Nc4ccccc4N3)nc3ccccc3c2=O)cc1F 24713106 HLNMWEOXZKKRJS-INIZCTEOSA-N 497.555 5.156 50 10 JKGE COc1ccc(CC(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@H]3c2ccc(C(C)C)cc2)cc1 38649674 OCHFXEKNELQCAK-MHZLTWQESA-N 454.526 5.185 50 10 JKGE Cc1ccc(C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@@H]3c2c(Cl)cccc2Cl)cc1 38679455 LPPVNBVEIUACQM-OAQYLSRUSA-N 451.309 5.739 50 10 JKGE Cc1cc2oc(C(=O)Oc3ccc4c(c3)OC(N)=C(C#N)[C@@H]4c3cccc(F)c3)c(C)c2cc1Cl 38700498 WARHGGXCPGEUFV-XMMPIXPASA-N 488.902 6.280 50 10 JKGE Cc1ccc(NC(=O)/C(C#N)=C\c2c(Oc3ccc(Cl)c(C)c3)nc3ccccn3c2=O)cc1C 39858749 FGRSLAPAMRPACO-RGEXLXHISA-N 484.943 5.611 50 10 JKGE Cc1c(C(=O)Nc2ccccc2F)oc2c1/C(=N/NC(=O)c1cccc3ccccc13)CCC2 40813527 SPQGCWRQXYLUHE-JBASAIQMSA-N 455.489 5.603 50 10 JKGE COC(=O)c1ccc(NC(=O)c2oc3c(c2C)/C(=N/NC(=O)c2cccc4ccccc24)CCC3)cc1 40813611 FITUBYYUCDSMRI-UQRQXUALSA-N 495.535 5.251 50 10 JKGE Cc1occc1C(=O)N/N=C1\CCCc2oc(C(=O)Nc3cccc(C(F)(F)F)c3)c(C)c21 40823534 VKLDQDPHJBYHMF-OGLMXYFKSA-N 459.424 5.231 50 10 JKGE CCOC(=O)/C(C#N)=C/c1ccc(OC(=O)c2c(Cl)ccc(Cl)c2Cl)c(OC)c1 40853301 JWICITWSABKIJL-XYOKQWHBSA-N 454.693 5.345 50 10 JKGE COc1cccc(/C=C(/C#N)C(=O)Nc2cccc(Cl)c2)c1OCc1cccc(Cl)c1 59117025 LSXXWKCMTRQAEW-PDGQHHTCSA-N 453.325 6.127 50 10 JKGE COC(=O)c1ccc(-c2ccc(/C=N/NC(=O)c3cc4cc(Br)ccc4o3)o2)cc1 59304561 FYTLZBQYCHHAGC-WYMPLXKRSA-N 467.275 5.006 50 10 JKGE Cc1ccc(NC(=O)/C(C#N)=C\c2ccc(OCc3cccc(C)c3)c(Br)c2)cc1 59335207 QHRYKBCHVATWDB-BKUYFWCQSA-N 461.359 6.191 50 10 JKGE CCCCCCCOc1ccc(/C=C2/C(=O)N(CC(C)C)C(=O)C(C#N)=C2C)cc1OCC 101334824 ABNVZYFGXPKALT-PXLXIMEGSA-N 452.595 5.683 50 10 JKGE CC1=C(C#N)C(=O)N(C2CCCCC2)C(=O)/C1=C/c1cn(-c2ccccc2)nc1-c1ccc(Cl)cc1 101338857 YXALSRGIFGJNNA-PCLIKHOPSA-N 496.998 6.118 50 10 JKGE Brc1ccc(Br)c([C@H](Br)c2sccc2Br)c1 111222899 LXCFLMDVXGJMCP-JTQLQIEISA-N 489.852 6.520 50 10 JKGE Cc1ncsc1CCC(CBr)(CBr)c1cccc(Br)c1 118878785 YCCJAZWYJBADEK-UHFFFAOYSA-N 482.079 5.874 50 10 JKGE C[C@@]12CC3CC([C@H](Br)c4cc(Br)sc4Br)(C1)C[C@](C)(C3)C2 123945849 FICUHWLHKJBKNV-PYARWRRDSA-N 497.134 7.706 50 10 JKGE C[C@@H]1C[C@@H](O[C@@](C)(CI)c2ccccc2Br)CC(C)(C)C1 162134110 DRJARXQBDMDOOM-LBTNJELSSA-N 465.213 6.331 50 10 JKGE CCCCCC[C@H](C)O[C@@](C)(CI)c1ccccc1Br 162182793 PGJNOBGALQHIQH-YOEHRIQHSA-N 453.202 6.475 50 10 JKGE ClCc1c(Br)c(Br)c(Br)c(Br)c1CCl 166896834 NJPACQJFXPTASB-UHFFFAOYSA-N 490.642 6.214 50 10 JKGE CCOC(=O)/C(C#N)=C/c1ccc(OC(=O)/C=C\c2ccc(OCCC(C)C)c(OC)c2)c(OC)c1 207166163 LNRPNLUULPVZCA-XYLKLUCISA-N 493.556 5.218 50 10 JKGE COCCOc1ccc([C@@H](Cl)c2ccc(I)cc2)cc1Br 229013811 IQKIRDTXLGCJJT-INIZCTEOSA-N 481.555 5.407 50 10 JKGE CCC(CC)[C@H](Br)CNC(=O)c1cc(Br)ccc1Br 230659938 YRQGXDNHJVYXSJ-CYBMUJFWSA-N 456.016 5.141 50 10 JKGE O=C(c1cc(Br)sc1Br)N1CCCCC[C@H]1CBr 232473481 NMCCUJPNRJUBIW-QMMMGPOBSA-N 460.029 5.053 50 10 JKGE CC[C@H](C)c1ccc([C@@H](Br)c2cc(Cl)ccc2I)cc1 234020076 ZMCHPRBOZDQTSU-APPDUMDISA-N 463.584 6.942 50 10 JKGE CCN(CC)c1ccc(C=NNC(=O)c2ccc(NN=Cc3ccc(N(CC)CC)cc3)cc2)cc1 254616786 CTVVFDMSWZFEIZ-UHFFFAOYSA-N 484.648 5.589 50 10 JKGE CCn1c2ccccc2c2cc(C=NNC(=O)c3ccc(NC(=O)c4cccc(C)c4)cc3)ccc21 254825116 BBSXNABTTNJBHI-UHFFFAOYSA-N 474.564 6.139 50 10 JKGE ClCc1cc(Br)cc(Br)c1OCc1cc(Cl)ccc1Cl 383831482 SFZUQWNZMXVUTP-UHFFFAOYSA-N 459.392 6.836 50 10 JKGE C[C@H](Cl)c1nc2cc(I)ccc2n1[C@]1(C)CCN(Cc2ccccc2)C1 405986388 SQXUVCQGEASDGK-YCRPNKLZSA-N 479.793 5.562 50 10 JKGE CN(C(=O)OC(C)(C)C)c1ccc([C@@H]2CCCCN(CCO[Si](C)(C)C(C)(C)C)C2)cc1 616605043 KTUNIUFYJOWOHF-JOCHJYFZSA-N 462.751 6.649 50 10 JKGE ClCc1nc2cc(Br)ccc2n1-c1cc(Cl)ccc1I 689765823 GULKKICVCHIREA-UHFFFAOYSA-N 481.946 5.785 50 10 JKGE Fc1cc(Cl)cc([C@@H](Br)c2cc(Br)c(Br)s2)c1F 691182434 IFUFRLYBPCVYCQ-SECBINFHSA-N 481.381 6.689 50 10 JKGE C[C@H]1CCCN(C(=O)c2cc(Br)sc2Br)[C@@H]1CCBr 700387550 KMBNCMRUKAUPGW-WCBMZHEXSA-N 474.056 5.299 50 10 JKGE Brc1cc([C@@H](Br)c2ccsc2Br)cc2c1OCCC2 705130852 IYIXFSAUYNCNTN-GFCCVEGCSA-N 467.020 6.082 50 10 JKGE C[C@@H]1CCN(Cc2ccccc2)C[C@@H]1n1c(CCl)nc2ccc(F)c(Br)c21 716302441 UHAHLSWHDXAAID-KDOFPFPSSA-N 450.783 5.760 50 10 JKGE O=C(N[C@@H](CCBr)C1CCCC1)c1cc(Br)c(Br)s1 725075724 BEIQLCMGJGRUFE-JTQLQIEISA-N 474.056 5.347 50 10 JKGE O=C(NN=C(CSc1nc2ccccc2s1)c1ccc2ccccc2c1)c1cccnc1 1084001286 OYUYLGKYIQPVPP-UHFFFAOYSA-N 454.580 5.771 50 10 JKGE CCOc1cc(C=NNC(=O)CSc2nc3ccccc3o2)ccc1OCc1ccccc1Cl 1084566057 SIOIBHBUQCXEEV-UHFFFAOYSA-N 495.988 5.701 50 10 JKGE CCCOc1ccc(C(=O)NN=Cc2cccc(OCc3cccc(Br)c3)c2)cc1 1084615384 FUCQHLRTYWKUAF-UHFFFAOYSA-N 467.363 5.581 50 10 JKGE CC(C)(C)OC(=O)N1C[C@H](CI)[C@H](c2ccc(C(F)(F)F)cc2)C1 1614808314 ZITAIHAKEKOJEE-JSGCOSHPSA-N 455.258 5.091 50 10 JKGE COc1ccc(/C(C#N)=C/c2ccc(OC(=O)/C=C/c3ccc(Cl)cc3)c(OC)c2)cc1OC 1615066140 SFBKPDLEMYXLCG-CKPCLRFGSA-N 475.928 6.049 50 10 JKGE Cc1ccc(NC(=O)c2oc3c(c2C)C(=NNC(=O)c2ccccc2Cl)CCC3)cc1Cl 1772744036 PDIAJWBPLNFKIP-UHFFFAOYSA-N 470.356 5.926 50 10 JKGE N#CC1=C(N)Oc2c(c(C(F)(F)F)nn2Cc2cccc(F)c2)[C@H]1c1ccc(Cl)c(Cl)c1 1865685178 GTHWPRMDENIGAN-INIZCTEOSA-N 483.252 5.614 50 10 JKGE CCCCCOc1ccc([C@@H]2C(C#N)=C(N)Oc3c2c(CCC)nn3-c2ccccc2)cc1OCC 1865691012 HBSZPLXTQFVEDE-AREMUKBSSA-N 486.616 6.011 50 10 JKGE N#CC1=C(N)Oc2c(c(-c3ccccc3)nn2-c2cccc(Cl)c2)[C@@H]1c1ccc2c(c1)OCCO2 1865697970 HGWGWKMNNYHCIT-HSZRJFAPSA-N 482.927 5.182 50 10 JKGE N#CC1=C(N)Oc2c(c(-c3ccccc3)nn2Cc2ccc(Cl)cc2)[C@@H]1c1cccc([N+](=O)[O-])c1 1865706210 QGTFFXLYVSUIPJ-JOCHJYFZSA-N 483.915 5.378 50 10 JKGE CCc1nn(Cc2ccc(Cl)c(Cl)c2)c2c1[C@@H](c1cccc(OC)c1)C(C#N)=C(N)O2 1865712192 RSWJBYHNMCGAKB-FQEVSTJZSA-N 455.345 5.027 50 10 JKGE O=c1c(Oc2ccccc2Br)coc2cc(OCc3ccc(CCl)cc3)ccc12 1871437799 CNWVQHAKODYMFA-UHFFFAOYSA-N 471.734 6.666 50 10 JKGE CCCCCCCCCOc1ccc(/C=C(\C#N)c2nc3ccccc3s2)cc1Br 1872727009 YASQPIMPODELQC-CAPFRKAQSA-N 483.475 8.252 50 10 JKGE COc1cc(/C=C(\C#N)c2nc3cc(C)ccc3n2C)ccc1OCc1ccc(Cl)cc1Cl 1872728025 KPYPUIMTNKWUOJ-YBFXNURJSA-N 478.379 6.840 50 10 JKGE CCCCCCCOc1ccc(-c2csc(/C(C#N)=C(\O)c3ccc(-n4cccc4)cc3)n2)cc1 1872753146 IWZQNZQMUJCOPC-SGEDCAFJSA-N 483.637 7.900 50 10 JKGE COc1ccc(OC/C(O)=C(\C#N)c2nc(-c3ccc(OC)c(C)c3C)cs2)c(C(C)(C)C)c1 1872754041 ZSIQFIVJUWBKKE-ATJXCDBQSA-N 478.614 6.613 50 10 JKGE CCOc1ccc(OCC)c(-c2csc(/C(C#N)=C(\O)CCCOc3ccccc3C)n2)c1 1872755093 YDMXQNCBMRFOKK-LNVKXUELSA-N 464.587 6.568 50 10 JKGE N#C/C(=C\c1ccc(OCc2ccccc2Cl)cc1)c1nc(-c2ccc3c(c2)OCO3)cs1 1872792177 JLCXIGCFBLEWER-RGVLZGJSSA-N 472.953 6.835 50 10 JKGE CCCCCOc1ccc(/C=C(\C#N)c2nc(-c3ccc(C(C)(C)C)cc3)cs2)cc1OC 1872792351 TXCCMPPIBTZCHN-CJLVFECKSA-N 460.643 7.749 50 10 JKGE CCCCCOc1ccc(/C=C(\C#N)c2nc(-c3ccc(F)c(F)c3)cs2)cc1OCC 1872793069 GUAWBXZQVQLENF-XDHOZWIPSA-N 454.542 7.120 50 10 JKGE CCOc1ccc(-c2csc(/C(C#N)=C/c3ccc(OC(C)C)c(OC)c3)n2)c(OCC)c1 1872793696 ORHHCPIOHYJKJF-XDHOZWIPSA-N 464.587 6.467 50 10 JKGE CCCCc1ccc(N2C[C@@H](/C(O)=C(\C#N)c3nc(-c4ccc(F)cc4F)cs3)CC2=O)cc1 1872817950 FEGLYENFHDLPCS-YEUWRSSNSA-N 479.552 6.277 50 10 JKGE COc1ccc(C)cc1-c1csc(/C(C#N)=C(\O)[C@H](CC(C)C)N2C(=O)c3ccccc3C2=O)n1 1873921251 ZDYMHDBAEPGFBK-ATHPHSJWSA-N 487.581 5.631 50 10 JKGE FC1(F)CC[C@H](Br)[C@@H](Cc2c(Br)cccc2Br)CC1 1881850005 MYPDZIFERABNQD-KOLCDFICSA-N 460.982 6.343 50 10 JKGE C[C@H](Br)CN(Cc1ccccc1)Cc1cccc(Br)c1Br 1914607801 MMASCOKUBRQJCR-ZDUSSCGKSA-N 476.050 5.997 50 10 JKGE CCN(c1cccc(Br)c1CBr)[C@H]1CCN(Cc2ccccc2)C1 1915068567 XTIRRKGDCPPYFP-KRWDZBQOSA-N 452.234 5.445 50 10 JKGE CC(C)(CBr)N(Cc1ccccc1)Cc1cc(Cl)ccc1I 1915768511 OSPOCCXXBQMTEQ-UHFFFAOYSA-N 492.626 6.120 50 10 JKGE CN(C[C@H](Cl)COCc1ccccc1)C(=O)c1c(Br)cccc1Br 1916349979 XBONDFJODCEZFG-AWEZNQCLSA-N 475.608 5.108 50 10 JKGE Cc1c(Br)sc([C@H](Br)[C@@]23CCC[C@H]2OCC3)c1Br 1922913098 UGSLXEJEKTXKBQ-YDEJPDAXSA-N 459.041 5.977 50 10 JKGE CSc1ccccc1[C@H](Br)c1sc(Br)c(C)c1Br 1922954061 KIHNLKNPDVEPCC-NSHDSACASA-N 471.077 6.788 50 10 JKGE CC(C)C[C@@H]1C[C@@H]1[C@H](Br)c1c(Br)sc(Br)c1Cl 1923047763 CXGNYFVLUVQXOH-FJXKBIBVSA-N 465.476 7.045 50 10 JKGE C[C@H](C[C@@H](Br)c1c(Br)sc(Br)c1Cl)C(F)(F)F 1923062839 SWDYGCYUQFEFOH-QWWZWVQMSA-N 479.381 6.951 50 10 JKGE C[C@@]1([C@@H](Cl)c2c(Br)sc(Br)c2Br)CC1(F)F 1924568287 DRTMLVDWKBPVJM-XNCJUZBTSA-N 459.375 6.361 50 10 JKGE CCCCCCCCC[C@H](Br)c1c(Cl)sc(Br)c1Cl 1925591277 WHERZUXELPDFAG-JTQLQIEISA-N 451.095 8.394 50 10 JKGE CC1(C)CC[C@@H](Br)[C@H](CNC(=O)c2cc(Br)c(Br)s2)C1 1927057859 JADXDOBSEKCODM-DTWKUNHWSA-N 488.083 5.593 50 10 JKGE Cc1csc([C@H](Cl)c2cc(Br)ccc2Br)c1Br 1950887654 IDDAPUHZOKEXMM-LLVKDONJSA-N 459.428 6.672 50 10 JKGE C[C@@H]1CCC[C@@H]([C@H](Br)c2c(Br)sc(Br)c2Cl)CC1 2039358738 DSVNMJDFMXCWRE-MRTMQBJTSA-N 479.503 7.579 50 10 JKGE CC(C)C[C@H](CBr)CNC(=O)c1cc(Br)c(Br)s1 2057120498 RBQAEWNHFTUQTI-MRVPVSSYSA-N 462.045 5.060 50 10 JKGE Cc1c(Br)sc([C@H](Br)C23CCCC2CCC3)c1Br 2063812690 JIQHYXRBVYCIGB-PEUVISTOSA-N 457.069 6.988 50 10 JKGE CC(=NNC(=O)c1ccc(CSc2nc3ccccc3s2)cc1)c1ccc(Br)cc1 2069682375 GYBYMYTXPFJIOB-UHFFFAOYSA-N 496.455 6.505 50 10 JKGE Cc1cc(Br)c(C)c([C@H](Br)c2ccc(Cl)o2)c1Br 2081069546 BCYDZTLFNDZFBR-CYBMUJFWSA-N 457.387 6.559 50 10 JKGE Cc1cc([C@H](Br)c2ccc(Br)cc2Br)ccc1Br 2083335028 QHOUZXUVPDBYCE-AWEZNQCLSA-N 497.850 6.767 50 10 JKGE Cc1cc(Br)cc(CBr)c1OCc1cc(Br)sn1 2084091712 JAKVAXXVIUTJLJ-UHFFFAOYSA-N 455.997 5.450 50 10 JKGE C[C@H]1Cc2cc(Br)cc([C@@H](Br)c3sncc3Br)c2O1 2088931122 XKKYUEVPMDKOBQ-UPONEAKYSA-N 468.008 5.476 50 10 JKGE BrCc1c(Br)cccc1N1CCC[C@@H]1[C@H]1CCN(Cc2ccccc2)C1 2089000709 ORYIHVPWBUWBSE-GHTZIAJQSA-N 478.272 5.835 50 10 JKGE Brc1cc([C@@H](Br)c2ccccc2OCc2ccccc2)cc2c1OCC2 2090458596 REDUGNBKJWXMFT-OAQYLSRUSA-N 474.192 6.447 50 10 JKGE Cc1ccc(Br)c([C@H](Br)c2cc(C3CC3)c(Br)s2)c1 2094673182 IIHXYCNFKFBXCT-AWEZNQCLSA-N 465.048 6.943 50 10 JKGE COc1sc([C@H](Br)c2cc(Cl)c(C)cc2Br)cc1Br 2095775195 OXNZIRNUAGGITN-GFCCVEGCSA-N 489.454 6.728 50 10 JKGE COC1CC(CC[C@@H](Br)c2cc(Br)c(C)cc2Br)C1 2104628070 BIPLPLFOGVKQFE-GCZXYKMCSA-N 455.028 6.161 50 10 JKGE C[C@@H]1CN(Cc2c(Br)cccc2Br)CC[C@@H]1CCBr 2115840408 AYURXABDGLKLPO-NEPJUHHUSA-N 454.044 5.455 50 10 JKGE Cc1cc(Br)c(CBr)c(Oc2cccc(F)c2Br)c1 2116825391 CPKLTYHQZGSHDU-UHFFFAOYSA-N 452.943 6.346 50 10 JKGE COC[C@@H]1CC[C@@H](Cc2ccc(Br)cc2Br)C[C@H]1Br 2127210121 KISDBJIDQPZCOQ-VHRBIJSZSA-N 455.028 5.580 50 10 JKGE Cc1cc(Br)c(C)c([C@@H](Br)[C@@]2(C)COCCO2)c1Br 2136382099 OILVFYBPHAKXTK-ZIAGYGMSSA-N 457.000 5.070 50 10 JKGE Cc1cc(F)c(Cl)cc1[C@H](Br)c1cc(I)ccc1F 2137062452 CPTMURRXKUMHII-AWEZNQCLSA-N 457.483 6.016 50 10 JKGE Cc1c(Br)ccc([C@H](Br)[C@H]2C[C@@H]3CC[C@H](C2)O3)c1Br 2138849341 DOTSIJUCKXBEPA-YYHMBLRTSA-N 453.012 5.914 50 10 JKGE Br[C@H](c1ccc(I)cc1)c1ccc(-c2cccs2)s1 2140981315 WTARBBBOQFUMJO-OAHLLOKOSA-N 461.187 6.566 50 10 JKGE O=C(c1cc(Br)sc1Br)N1Cc2ccc(CBr)cc2C1 2167501158 NMNGIKHUYSVYOA-UHFFFAOYSA-N 480.019 5.324 50 10 JKGE CC1(C)CC2(C1)CC(CBr)(Cc1cc(Br)ccc1Br)C2 2175149734 LTSOEZRTZTUZAZ-UHFFFAOYSA-N 465.067 6.736 50 10 JKGE C[C@H](Cl)c1nc2cc(I)ccc2n1[C@@H]1C[C@@H](C)CN(Cc2ccccc2)C1 2184260844 PRCWEHGCZDQJAZ-JTDSTZFVSA-N 493.820 6.024 50 10 JKGE CC(C)(C)NCc1cc(Br)c(OC[C@@H]2C[C@H]2Br)c(Br)c1 2196907801 TURPSLKYICZODS-WDEREUQCSA-N 470.043 5.262 50 10 JKGE COc1ccc([C@@H](Br)c2cccc(C)c2I)c(Cl)c1Cl 2203432958 KVKPGNODMXDDOS-GFCCVEGCSA-N 485.974 6.399 50 10 JKGE Brc1ccc([C@H](Br)[C@@H]2CC[C@@H]3CCCC[C@@H]3C2)c(Br)c1 2203687121 PBXVXAIJEPAJJP-SFDCBXKLSA-N 465.067 7.254 50 10 JKGE FC(F)(F)[C@@H]1CC[C@@H]1[C@@H](Br)c1cc(Br)sc1Br 2212879759 RMXUAEPWCYPPPI-CVTKMRTPSA-N 456.947 6.298 50 10 JKGE Cc1cccc([C@@H](Cl)c2cc(Br)c(Br)cc2F)c1Br 2225635365 VCZVSFBKLABITP-CQSZACIVSA-N 471.389 6.750 50 10 JKGE CCN(C[C@](C)(CI)O[C@@](C)(CC)CCCC(C)C)C(=O)OC(C)(C)C 2226055960 DCNDCBFIYCBBLX-SFTDATJTSA-N 483.475 6.449 50 10 JKGE Cc1sc([C@@H](Br)[C@H](C)c2ccncc2Br)c(Br)c1C 2229320618 WGMVMJJWXLWFIC-OQPBUACISA-N 468.052 6.525 50 10 JKGE C[C@@H]1CC[C@H](C(C)(C)c2sc(Br)c(Br)c2Br)[C@@H](Cl)C1 2230044687 SHWREWYTYQGCCQ-VGMNWLOBSA-N 493.530 7.357 50 10 JKGE FC(F)(F)[C@@H]1CCO[C@H]1[C@@H](Br)c1ccc(Br)cc1Br 2231813180 OHKNFGUWHNWIHY-DVVUODLYSA-N 466.917 5.615 50 10 JKGE CC(C)c1ccc([C@@H](Br)c2cc(Br)c(Br)cc2F)cc1 2233976991 RWPOGCZEWSTZNE-MRXNPFEDSA-N 464.998 6.958 50 10 JKGE Cc1cc(Br)c([C@@H](Br)[C@@H]2CCCC(C)(C)O2)c(C)c1Br 2235615949 WQVKWPOKHPEPMV-WFASDCNBSA-N 469.055 6.612 50 10 JKGE O=C(c1scc(Br)c1Br)N1C[C@@H](Br)CC12CCCCC2 2241041486 VLCBFHYPOIRSSN-VIFPVBQESA-N 486.067 5.585 50 10 JKGE Fc1cc(Br)c(F)c(Br)c1[C@H](Cl)c1ccc(Br)o1 2260006519 TTWQAZNUJOFKLA-SNVBAGLBSA-N 465.313 6.174 50 10 JKGE Fc1cc(Br)c(F)c(Br)c1[C@H](Br)C[C@@H]1CC[C@@H]2C[C@@H]12 2272729435 QASPEBGGAFACDA-BZNPZCIMSA-N 458.966 6.362 50 10 JKGE Brc1cc(Br)cc(C[C@@H](Br)[C@H]2CCCC23CCC3)c1 2277947460 IBTYZTRONOAAFJ-HUUCEWRRSA-N 451.040 6.488 50 10 JKGE Fc1cc(Br)cc(F)c1COc1cc(Br)ccc1CBr 2287125465 HCGUYOIUNASXGO-UHFFFAOYSA-N 470.933 5.964 50 10 JKGE CC(C)(C)OC(=O)N1CCC(CI)(OC2(C)C3CC4CC(C3)CC2C4)CC1 2287237722 BNVPIRRCIJWEAN-UHFFFAOYSA-N 489.438 5.423 50 10 JKGE C[C@@H](Br)CN(CC(C)(C)C)C(=O)c1cc(Cl)ccc1I 2288078306 KFNCFEHSOGTHMW-SNVBAGLBSA-N 472.592 5.216 50 10 JKGE Cc1ccc([C@H](Br)c2c(F)cc(Br)c(F)c2Br)cc1C 2288493401 RWYIJOYFDMNIJI-ZDUSSCGKSA-N 468.961 6.591 50 10 JKGE N#CC(=Cc1ccc(OC(=O)c2ccccc2[N+](=O)[O-])cc1)C(=O)Nc1cccc(Cl)c1Cl 2295172655 SJULAIQJMJMENB-UHFFFAOYSA-N 482.279 5.666 50 10 JKGE Clc1ccc(Br)cc1CO[C@@H](CBr)c1ccc(Br)cc1 2295174602 ZTLLRXNIXMQTDN-HNNXBMFYSA-N 483.425 6.518 50 10 JKGE N#CC(=Cc1cn(Cc2ccc(F)cc2)c2ccccc12)C(=O)Nc1nnc(C(F)(F)F)s1 2295196091 SVVISPJFBJLATR-UHFFFAOYSA-N 471.439 5.245 50 10 JKGE Cc1cc2sc([C@H](Br)c3cc4sc(Br)cc4s3)cc2s1 2295516533 HLJSKUPXUCLRPM-AWEZNQCLSA-N 464.294 7.794 50 10 JKGE COC(=O)c1cc(NC=C(C#N)c2nc(-c3cccc4ccccc34)cs2)cc(C(=O)OC)c1 2296049265 XJRLSIOLDSANMJ-UHFFFAOYSA-N 469.522 5.513 50 10 JKGE COc1ccc(C[C@@H]2SC(=C(C#N)C(=O)Nc3ccccc3C)N(c3ccccc3C)C2=O)cc1 2296507206 YFHHZPACHGNSFO-VWLOTQADSA-N 483.593 5.377 50 10 JKGE Cc1ccc(C(C)C)c(OCCn2cc(C=C(C#N)C(=O)NC3CCCCC3)c3ccccc32)c1 2296968787 FMQMKPYFMNTYFK-UHFFFAOYSA-N 469.629 6.508 50 10 JKGE N#CC(=Cc1ccccc1Cl)c1nc(-c2cc3cc(Br)ccc3oc2=O)cs1 2296976849 YEVAANTXDYPDEQ-UHFFFAOYSA-N 469.747 6.397 50 10 JKGE CCCn1c(C)cc(C=C(C#N)C(=O)OCC(=O)Nc2cccc(Oc3ccccc3)c2)c1C 2297356592 FUBMNBANOJYCBN-UHFFFAOYSA-N 457.530 5.396 50 10 JKGE CCOC(=O)c1c(NC=C(C#N)c2nc(-c3ccc(CC(C)C)cc3)cs2)sc(C(C)=O)c1C 2297465930 NXQQJTWGOHWSDC-UHFFFAOYSA-N 493.654 6.734 50 10 JKGE Cc1c(C=C(C#N)C(=O)NC2CCCCC2)c2ccccc2n1Cc1ccc(Cl)cc1Cl 2297629050 VCYONDNAMDJUJE-UHFFFAOYSA-N 466.412 6.661 50 10 JKGE CC[C@@H]1OCC[C@@H]1[C@H](Br)c1cc(Br)ccc1OCc1ccccc1 2299493062 KDOGTLCNTMCQAL-QRFRQXIXSA-N 454.202 6.279 50 10 JKGE Brc1cc(OCc2ccccc2)ccc1[C@H](Br)[C@H]1CCC2(CC2)C1 2299508518 JZERBHWNLAWPMI-OXJNMPFZSA-N 450.214 7.044 50 10 JKGE Fc1cc(Cl)ccc1[C@H](Br)c1sc(Cl)cc1I 2300952921 BYPWGKUGGWMLCB-JTQLQIEISA-N 465.940 6.283 50 10 JKGE CC1=C(C#N)C(=O)N(C(C)C)C(=O)C1=Cc1cn(-c2ccccc2)nc1-c1ccc(OC(C)C)c(C)c1 2314610003 BRELSUOQUQMNAH-UHFFFAOYSA-N 494.595 5.636 50 10 JKGE CCOc1cc(C=C2C(=O)N(Cc3ccc(F)cc3)C(=O)C(C#N)=C2C)ccc1OCc1ccccc1 2314620945 WRVNMJIWADTHEU-UHFFFAOYSA-N 496.538 5.596 50 10 JKGE C=CCOc1cccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)C=Cc4ccc(Cl)cc4)ccc32)c1 2314634790 LLPFFYIOKUWFDW-MHZLTWQESA-N 484.939 5.742 50 10 JKGE COc1cc(C=CC#N)ccc1OC(=O)COc1ccc(-c2ccccc2)cc1Br 2314795817 UGTYVTQYCQFMGQ-UHFFFAOYSA-N 464.315 5.646 50 10 JKGE Cc1cc(Br)c(F)c(Br)c1[C@H](Cl)c1ccsc1Br 2317422873 LVIZELAJWNNPQG-SNVBAGLBSA-N 477.418 6.811 50 10 JKGE CN(Cc1c(Br)cccc1Br)c1nc(CBr)cs1 2318190724 TZQRNSDSIRRZCG-UHFFFAOYSA-N 455.013 5.199 50 10 JKGE CCCCc1ccc(NC=C(C#N)C(=O)N2CCN(C(c3ccccc3)c3ccccc3)CC2)cc1 2318455710 ZHRGCEOGQMZSBP-UHFFFAOYSA-N 478.640 5.782 50 10 JKGE CCc1ccc(C(C)=CC(=O)N[C@@H](C(=O)Nc2ccc(SC#N)cc2)c2ccccc2)cc1 2329510642 GCBYGYKVGJEKOD-AREMUKBSSA-N 455.583 5.722 50 10 JKGE Brc1ccc(Br)c(CN2CC[C@H]3CC[C@@H](Br)[C@@H]2C3)c1 2330963053 KRDDYYLULMOOSW-KMUNFCNLSA-N 452.028 5.350 50 10 JKGE COC(=O)c1ccc2c(O)nc(C(C#N)=Cc3cccc(OC)c3OCc3cccc(C)c3)nc2c1 2331046337 GWOSYYWMCLTAEX-UHFFFAOYSA-N 481.508 5.082 50 10 JKGE COc1cccc(C=C(C#N)c2ccc(C(=O)OC(C)C)o2)c1OCc1ccc(Br)cc1 2331049745 OUJSDEDLMFGFLG-UHFFFAOYSA-N 496.357 6.259 50 10 JKGE COc1cccc(C=C(C#N)c2cc3c(cc2[N+](=O)[O-])OCCO3)c1OCc1ccc(F)cc1 2331051464 XSDFAQHIBXSZFI-UHFFFAOYSA-N 462.433 5.157 50 10 JKGE N#CC(=C(O)c1ccc(Cl)c([N+](=O)[O-])c1)c1nc(-c2ccc(Cl)c(Cl)c2)cs1 2331312002 SWDDMUDGGATASE-UHFFFAOYSA-N 452.706 6.628 50 10 JKGE COc1c(Cl)cc(Cl)cc1-c1csc(C(C#N)=C(O)Cc2ccccc2[N+](=O)[O-])n1 2331362447 KRVOJTOIADFNNE-UHFFFAOYSA-N 462.314 6.069 50 10 JKGE CCOC(=O)Oc1ccc(C(O)=C(C#N)c2nc(-c3cc(Cl)ccc3OC)cs2)cc1 2331409086 RYMCPDCRVAXQTJ-UHFFFAOYSA-N 456.907 5.957 50 10 JKGE CCCOc1ccc(-c2csc(C(C#N)=Cc3ccc(OC)cc3OC)n2)cc1OCCC 2331437903 LMTWFZGWMWDKDG-UHFFFAOYSA-N 464.587 6.469 50 10 JKGE COc1ccc(-c2csc(C(C#N)=Cc3cccc(OC)c3OCc3cccc(C)c3)n2)c(C)c1C 2331468152 FHMRABHHDNBNDY-UHFFFAOYSA-N 496.632 7.396 50 10 JKGE Cc1ccc(C(C)(C)C)cc1-c1csc(C(C#N)=Cc2cc(Br)ccc2F)n1 2331479104 WCDPPIDJDMYOGU-UHFFFAOYSA-N 455.396 7.382 50 10 JKGE Fc1c(Br)cc(Cl)c([C@@H](Br)CC2CCCCC2)c1Br 2337093022 ZOYWKJZBVNPDOH-VIFPVBQESA-N 477.437 7.411 50 10 JKGE Fc1c(Br)cc(Cl)c([C@H](Br)C[C@H]2C[C@H]3C[C@H]3C2)c1Br 2337095080 WQXQESJBEASKGZ-LURQLKTLSA-N 475.421 6.876 50 10 JKGE CCC1([C@H](Br)c2c(Cl)cc(Br)c(F)c2Br)CCCC1 2337114443 QKOTVGMNZDLBCA-CYBMUJFWSA-N 477.437 7.411 50 10 JKGE Clc1ccc(C[C@@]2(CBr)CCC=CCCC2)cc1I 2337222613 BMKYKNGVMKPGNQ-MRXNPFEDSA-N 453.589 6.389 50 10 JKGE CCCc1sc(Br)cc1[C@H](Cl)c1cccc(F)c1I 2338028516 WOGHAJXBUXWWFS-CYBMUJFWSA-N 473.576 6.535 50 10 JKGE Cl[C@@H]1C[C@H](Oc2cc(Br)cc(I)c2)C12CCCCC2 2338757157 HBQPXNHLLHURJU-KGLIPLIRSA-N 455.561 5.763 50 10 JKGE COc1c(Br)cc(C)c([C@H](Br)[C@H]2C[C@H]2C2CC2)c1Br 2339655398 YLGXUTQUHKRNLW-OUJBWJOFSA-N 453.012 6.011 50 10 JKGE CC1=C(C)C[C@](CBr)(Cc2ccc(I)c(Cl)c2)CC1 2343453415 YADKTWOKNMTGBP-INIZCTEOSA-N 453.589 6.389 50 10 JKGE C[C@@H](c1ccncc1F)[C@H](Br)c1c(Br)cccc1Br 2344699243 QUERLBFKOSLPTC-RTHLEPHNSA-N 451.959 5.985 50 10 JKGE ClCC(CCl)(Cc1ccc(I)c(Br)c1)C1CCCC1 2349781163 MMYMVAONWPCODU-UHFFFAOYSA-N 476.023 6.250 50 10 JKGE Cl[C@H]1CN(Cc2ccc(I)c(Br)c2)CC12CCCC2 2349827066 WCCOOMHLPPBKRB-AWEZNQCLSA-N 454.577 5.037 50 10 JKGE Fc1cc(Cl)cc([C@@H](Br)c2c(F)cc(Cl)c(Br)c2Cl)c1 2360481726 PHMNZOBJRAEXGO-LLVKDONJSA-N 465.346 7.172 50 10 JKGE Fc1ccc([C@@H](Cl)c2c(Cl)cc(Br)c(F)c2Br)cc1Cl 2362222492 CDWXMNHENKPCIG-GFCCVEGCSA-N 465.346 7.125 50 10 JKGE Fc1c(Br)cc(Cl)c([C@H](Br)[C@@H]2CO[C@H]3COC[C@H]23)c1Br 2362234069 FHUMTQYQKZQULI-GMVJNNPSSA-N 493.392 5.102 50 10 JKGE Fc1cc(CBr)c(N2CCC[C@]3(CCN(Cc4ccccc4)C3)C2)cc1Cl 2362412146 LWTBIHGZYUYMKB-JOCHJYFZSA-N 451.811 5.867 50 10 JKGE CCOc1cc(CCl)cc(Br)c1OCc1sccc1I 2364107268 QUZRDKLUYVCKIE-UHFFFAOYSA-N 487.584 5.832 50 10 JKGE Cc1cc(Br)c(F)c(Br)c1[C@@H](Br)C[C@@H]1CCCC12CC2 2365197277 UQXJVJMKFHWMAA-QWRGUYRKSA-N 469.030 7.066 50 10 JKGE Cc1cc(Br)c(F)c(Br)c1[C@@H](Br)[C@]12C[C@H](CO1)C2(C)C 2365227491 GPQLASXKDMWBFY-YVILZHTOSA-N 471.002 5.910 50 10 JKGE Clc1ccc(I)cc1CN1CCC2(CCC2)[C@H](CBr)C1 2380510379 CDMCPJUIXFDBNJ-CYBMUJFWSA-N 468.604 5.332 50 10 JKGE Cc1cc(Br)c(C(C)C)cc1[C@@H](Br)c1c(Br)cnn1C 2380942298 OQOFRMNWZJZTBJ-CQSZACIVSA-N 465.027 5.861 50 10 JKGE N#C/C(=C\c1cccc(Cl)c1)c1nc(-c2cc3cc(Br)ccc3oc2=O)cs1 4427950 IXFBCZKTHVPEJI-MKMNVTDBSA-N 469.747 6.397 50 10 JKGE COc1ccc(C=NNC(=O)[C@H]2C[C@H]2c2ccc(C(C)(C)C)cc2)cc1CSCc1ccco1 8456128 BTWZRGKWCWWHCQ-DQEYMECFSA-N 476.642 6.273 50 10 JKGE CCSc1sccc1[C@@H]1C(C#N)=C(N)N(c2cccnc2)C2=C1C(=O)C[C@H](c1ccccc1)C2 9981703 MEAWDBAQWQSFGE-HOYKHHGWSA-N 484.650 5.954 50 10 JKGE COc1cc(/C=C(/C#N)C(=O)NCc2ccccc2)ccc1OC(=O)c1ccc(Cl)c(Cl)c1 33284969 GYSKSMWNFYIAIX-ODLFYWEKSA-N 481.335 5.445 50 10 JKGE CCOC(=O)/C(C#N)=C/c1cn(-c2ccccc2)nc1-c1cccc(OCc2ccc(C)cc2)c1 35446138 BGYFOEPCZXHGJZ-LFVJCYFKSA-N 463.537 5.897 50 10 JKGE CCOc1cccc(-c2nn(-c3ccccc3)cc2/C=C(\C#N)S(=O)(=O)c2ccc(C)cc2)c1 35446459 AIDVNVCHGXYGLU-YZSQISJMSA-N 469.566 5.585 50 10 JKGE CC(C)c1ccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)COc4ccc(Cl)cc4)ccc32)cc1 38649400 CNERHBFOCNQDPC-SANMLTNESA-N 474.944 5.666 50 10 JKGE N#CC1=C(N)Oc2cc(OC(=O)c3ccc(F)cc3)ccc2[C@H]1c1ccc(Br)cc1 38651583 MSTQDZDRHNOQSE-OAQYLSRUSA-N 465.278 5.026 50 10 JKGE Cc1cccc(C)c1OCC(=O)Oc1ccc2c(c1)OC(N)=C(C#N)[C@@H]2c1cccc2ccccc12 38657792 XMRAVHOKLFRBMO-MUUNZHRXSA-N 476.532 5.659 50 10 JKGE CCOc1cc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4ccco4)ccc32)ccc1OCCC(C)C 38684348 PGGGQQUYGAQTOA-AREMUKBSSA-N 488.540 5.541 50 10 JKGE Cc1c(C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@H]3c2cccc3ccccc23)oc2ccccc12 38688542 XOUNCGFFTUECGV-MHZLTWQESA-N 472.500 6.332 50 10 JKGE Cc1ccc2oc(C(=O)Oc3ccc4c(c3)OC(N)=C(C#N)[C@@H]4c3cccc4ccccc34)c(C)c2c1 38688565 APHOCJNAJZROEQ-MUUNZHRXSA-N 486.527 6.640 50 10 JKGE CCCOc1ccccc1[C@H]1C(C#N)=C(N)Oc2cc(OC(=O)c3oc4ccc(F)cc4c3C)ccc21 38700652 LLUNNJNBEVJHBC-AREMUKBSSA-N 498.510 6.107 50 10 JKGE N#C/C(=C\c1ccc(-c2cccc(Cl)c2)o1)C(=O)Nc1cc(C(F)(F)F)cc(C(F)(F)F)c1 39884885 UEGPEAOOOUONEQ-NTUHNPAUSA-N 484.783 7.183 50 10 JKGE Cc1c(C(=O)Nc2ccccc2F)oc2c1/C(=N/NC(=O)c1ccc(Cl)cc1Cl)CCC2 40813667 HTAOEZWMPZWHJH-MTDXEUNCSA-N 474.319 5.757 50 10 JKGE COc1cccc(NC(=O)c2oc3c(c2C)/C(=N/NC(=O)Cc2coc4cc(C)cc(C)c24)CCC3)c1 40826885 OUISMWRHWSSPAM-DFKUXCBWSA-N 499.567 5.611 50 10 JKGE O=C(COc1ccc(C2CCCCC2)cc1)N/N=C1\C(=O)N(Cc2ccccc2F)c2ccccc21 59148757 GUBCENODPIIUPD-BLCKFSMSSA-N 485.559 5.320 50 10 JKGE CCCN(CCC)c1ccc(C(=O)N/N=C/c2ccc(OS(=O)(=O)c3ccc(C)cc3)cc2)cc1 59148864 VWPMGOFWXRJTPW-VFCFBJKWSA-N 493.629 5.153 50 10 JKGE Cc1cccc(C)c1-n1c(C)cc(/C=N/NC(=O)c2cc3cc(Br)ccc3o2)c1C 59304914 JJTWTOFVEYFOGG-LGJNPRDNSA-N 464.363 5.984 50 10 JKGE C=CCn1c(CNc2ccc(Cl)cc2)nnc1S[C@@H](C)C(=O)N/N=C(/C)c1ccc(C)cc1 59475351 DQJJWAKKIQNSKH-PTXYPZRJSA-N 483.041 5.059 50 10 JKGE CCOc1cc(/C=C(/C#N)C(=O)Nc2ccccc2C(=O)OC)ccc1OCc1ccc(C)cc1 96401905 AJLARMMTOLJELC-JCMHNJIXSA-N 470.525 5.305 50 10 JKGE Cc1cc(C)c(OCC(=O)N/N=C/c2ccc(-c3cc(Cl)ccc3Cl)o2)c(Br)c1 97136635 SVPNAVZQNQNALI-KIBLKLHPSA-N 496.188 6.162 50 10 JKGE Cc1ccc(-c2ccc(/C=C(/C#N)C(=O)Nc3cc(C(F)(F)F)ccc3Cl)o2)c([N+](=O)[O-])c1 97636078 CTUHIMKTALCXNX-LCYFTJDESA-N 475.810 6.381 50 10 JKGE Fc1cc(Br)c(Cl)cc1[C@@H](Cl)c1cc(Br)c(Br)s1 97895370 QYWKSHFKHVYWCA-SNVBAGLBSA-N 497.836 7.156 50 10 JKGE CC1=C(C#N)C(=O)N(Cc2ccc(C)cc2)C(=O)/C1=C/c1cn(-c2ccccc2)nc1-c1ccccc1 101339388 YRKGAPXRKLNOOV-WPWMEQJKSA-N 484.559 5.640 50 10 JKGE CCCCCCCCCCOc1ccc(C(=O)N/N=C/c2ccc([N+](=O)[O-])cc2[N+](=O)[O-])cc1 104989204 OZYOAJZHVLDIDT-XIEYBQDHSA-N 470.526 5.786 50 10 JKGE C[C@@]12CC[C@@H]3c4ccc(O)cc4CC[C@@H]3[C@@H]1CC/C2=N/NC(=O)C(O)(c1ccccc1)c1ccccc1 105436481 MYCPNYBYHGFOKA-KJEFYLFPSA-N 494.635 5.657 50 10 JKGE Cc1cccc(C(CBr)(CBr)Cc2ccc(Br)s2)c1 118671289 ZSIBAWCDBBGGLK-UHFFFAOYSA-N 467.064 6.089 50 10 JKGE CCOc1ccc(Br)cc1[C@@H](Br)c1ccc(Br)c(C)c1 137903269 WBVGRKPLMFXPEA-INIZCTEOSA-N 463.007 6.403 50 10 JKGE COc1cccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)/C=C\c4ccc(C(C)(C)C)cc4)ccc32)c1 205641731 FMSDTKPXLCQSAO-HBZAZXRSSA-N 480.564 5.830 50 10 JKGE CCCCCOc1ccc(/C=C(/C#N)C(=O)Nc2scc(-c3ccccc3)c2C(=O)OC)cc1 206250445 HEFGODVBSGFKFC-PGMHBOJBSA-N 474.582 6.316 50 10 JKGE CCCn1c(C)cc(/C=C(\C#N)C(=O)Nc2nc(-c3ccc([C@@H](C)NC(C)=O)cc3)cs2)c1C 213856413 AZGHRDNBDLIQIE-YXUUZYBBSA-N 475.618 5.381 50 10 JKGE Brc1ccc(Br)c([C@@H](Br)[C@@H]2CCc3ccccc3C2)c1 223603427 IUAMPYXZBYDQML-DYVFJYSZSA-N 459.019 6.453 50 10 JKGE Cc1cccc([C@@H](Cl)c2csc3c(Br)cccc23)c1I 235996955 OFKTZCBBKREZMX-CQSZACIVSA-N 477.592 6.905 50 10 JKGE BrCC(CBr)(C[C@@H]1C[C@H]2CC[C@H]1C2)c1ccccc1Br 250185109 FPJVELRBJFNDBO-IHRRRGAJSA-N 465.067 6.303 50 10 JKGE CCCCCCCCCCCCCC(=O)NN=Cc1ccc(OC(=O)c2ccc(C)cc2)cc1 254519510 IKGLQFGQFFSAOB-UHFFFAOYSA-N 464.650 7.365 50 10 JKGE CCOc1ccc(OCc2ccc(C(=O)NN=C(C)c3ccc(C4CCCCC4)cc3)cc2)cc1 254578293 YLIBZKLHVBAHSJ-UHFFFAOYSA-N 470.613 6.866 50 10 JKGE O=C(CNc1cccc2ccccc12)NN=C1C(=O)N(Cc2cccc3ccccc23)c2ccccc21 254582729 FFYGPMUVCUKVJY-UHFFFAOYSA-N 484.559 5.472 50 10 JKGE COc1ccc([C@H](C)C=NNC(=O)c2cc(-c3ccc(C(C)C)cc3)nc3ccccc23)cc1 254736746 UNLQILWURIOAEM-HXUWFJFHSA-N 451.570 6.553 50 10 JKGE CCOc1ccccc1C=NNC(=O)CSc1nnc(SCc2ccc(Cl)cc2)s1 254760022 PIWMMSOQRSRYBT-UHFFFAOYSA-N 479.052 5.125 50 10 JKGE ClCc1nc2ccc(Br)cc2n1-c1cc(I)ccc1Cl 312513902 DWIIRTHIYZBEHF-UHFFFAOYSA-N 481.946 5.785 50 10 JKGE FC(F)(F)Oc1cccc([C@@H](Br)c2cc(Br)c(Br)s2)c1 312943527 INGISBKEOAXOOH-SNVBAGLBSA-N 494.952 6.656 50 10 JKGE CC(C)(C)OC(=O)NCCN1CCC[C@@H](c2cccc(CO[Si](C)(C)C(C)(C)C)c2)CC1 616626699 DLTQIWKXDKKWHE-JOCHJYFZSA-N 462.751 6.303 50 10 JKGE CC1(C)COc2c([C@@H](Cl)c3sccc3I)cc(Br)cc21 688226869 YTMPMTCYAUNRTP-GFCCVEGCSA-N 483.596 6.113 50 10 JKGE Fc1ccc([C@H](Br)c2cc(Br)sc2Br)c(F)c1Cl 689692754 ZEPADSRYVRJFHY-QMMMGPOBSA-N 481.381 6.689 50 10 JKGE COc1cc(CBr)cc(Br)c1OCc1ccncc1Br 702862253 WIDZQAKKWKRBPV-UHFFFAOYSA-N 465.967 5.089 50 10 JKGE BrCc1cc(Br)cc(Br)c1OCC[C@@H]1C[C@@H]1C1CC1 714880490 SLZNRDNLFGILIA-ZWNOBZJWSA-N 453.012 5.922 50 10 JKGE C=CCc1cc(C=NNC(=O)CC[C@H](O)c2ccccc2)cc(OCC)c1OCc1ccccc1 1083949381 ITMCVQRKHAZIST-SANMLTNESA-N 472.585 5.357 50 10 JKGE C=CCc1cc(/C=C(\C#N)C(=O)Nc2ccc(C)cc2)cc(OCC)c1OCc1cccc(F)c1 1083990448 KVNMGWWSSFJESW-BUVRLJJBSA-N 470.544 6.386 50 10 JKGE COc1cc(C=NNC(=O)c2cc3ccccc3o2)ccc1OCc1ccc(Cl)c(Cl)c1 1084312891 LIVJVZFBMKSQRG-UHFFFAOYSA-N 469.324 6.091 50 10 JKGE CC(C)c1ccc(OCC(=O)NN=Cc2cc(Cl)cc(Cl)c2O)c(Br)c1 1084334407 DGOKTDIUHACWJF-UHFFFAOYSA-N 460.155 5.114 50 10 JKGE Cc1ccc(C(=O)NN=C2C(=O)N(Cc3c(Cl)cccc3Cl)c3ccccc32)cc1Cl 1084468720 MBXDTFQOOBSISJ-UHFFFAOYSA-N 472.759 5.636 50 10 JKGE O=C(NN=Cc1ccc(-c2cc([N+](=O)[O-])ccc2Cl)o1)c1cc(-c2ccccc2)nc2ccccc12 1084516203 LTXOALLJJMGQEQ-UHFFFAOYSA-N 496.910 6.487 50 10 JKGE CC(=NNC(=O)c1cc2ccccc2cc1O)c1ccc2c(c1)[C@@H]1C=CC[C@H]1[C@H](c1ccccc1)N2 1565518736 TVKWLAPEUOAAHY-KQZWIPHESA-N 473.576 6.526 50 10 JKGE Cc1c(C(=O)Nc2ccccc2Cl)oc2c1C(=NNC(=O)c1cccc(Cl)c1)CCC2 1772745531 AVPNKEAQINBUDN-UHFFFAOYSA-N 456.329 5.618 50 10 JKGE CCCc1ccc(OCC(=O)NN=Cc2ccc(OCc3ccc(Cl)cc3)c(OC)c2)cc1 1772752833 JTDHHCOMKCCEIR-UHFFFAOYSA-N 466.965 5.409 50 10 JKGE Cc1nn(Cc2ccc(Cl)c(Cl)c2)c2c1[C@@H](c1c(F)cccc1Cl)C(C#N)=C(N)O2 1865682373 NAPLPGXEOXOPJN-SFHVURJKSA-N 463.727 5.557 50 10 JKGE CCCc1nn(Cc2ccc(Cl)c(Cl)c2)c2c1[C@H](c1ccc(OC)c(O)c1)C(C#N)=C(N)O2 1865682857 YYSWAUQEVWMROX-OAQYLSRUSA-N 485.371 5.123 50 10 JKGE Cc1ccc(-n2nc(C(F)(F)F)c3c2OC(N)=C(C#N)[C@H]3c2c(Cl)cccc2Cl)cc1 1865686440 WCSBBPSTQKRIOS-HNNXBMFYSA-N 465.262 5.725 50 10 JKGE Cc1ccc(C)c(Cn2nc(C(F)(F)F)c3c2OC(N)=C(C#N)[C@@H]3c2c(F)cccc2Cl)c1 1865686657 YTCMNJYAEQFYOX-QGZVFWFLSA-N 476.861 5.578 50 10 JKGE CCCOc1ccc([C@@H]2C(C#N)=C(N)Oc3c2c(CCC)nn3Cc2ccccc2)cc1OCC 1865687906 CWUPOBIOTKZXFU-RUZDIDTESA-N 472.589 5.290 50 10 JKGE CCOc1ccc([C@@H]2C(C#N)=C(N)Oc3c2c(-c2ccccc2)nn3Cc2ccc(F)cc2)cc1 1865693939 NBMRYJWWNBGSHM-XMMPIXPASA-N 466.516 5.354 50 10 JKGE CCc1nn(Cc2ccccc2Cl)c2c1[C@H](c1ccc(OC(C)C)c(OC)c1)C(C#N)=C(N)O2 1865696942 LSPSCPFDWORHIS-HSZRJFAPSA-N 478.980 5.161 50 10 JKGE CCCCOc1ccc([C@H]2C(C#N)=C(N)Oc3c2c(C)nn3-c2ccccc2Cl)cc1OC 1865697371 QTDLTNNBSFMLGE-QHCPKHFHSA-N 464.953 5.240 50 10 JKGE CCc1ccc([C@H]2C(C#N)=C(N)Oc3c2c(-c2ccc(OC)cc2)nn3-c2cccc(Cl)c2)cc1 1865708958 KDXCYUUQVBGJGI-DEOSSOPVSA-N 482.971 5.982 50 10 JKGE COc1ccc(/C=C(\C(=O)NNC(=O)c2ccc(-c3ccc(Cl)cc3)nc2C)c2ccccc2)cc1 1865755666 KTEDWSQRVRZCQG-ITYLOYPMSA-N 497.982 5.721 50 10 JKGE CCOC(=O)c1c(-c2ccc(C)c(C)c2)csc1NC(=O)/C(C#N)=C/c1ccc(Cl)cc1 1866128304 JEQMJAZIWUUXCK-XDHOZWIPSA-N 464.974 6.408 50 10 JKGE COc1cccc(/C=C(\C#N)c2ccc(C(=O)OC(C)C)o2)c1OCc1ccccc1Cl 1872728708 PCALYOFWAIIFAS-CPNJWEJPSA-N 451.906 6.150 50 10 JKGE CCCCc1ccc(-c2csc(/C(C#N)=C(\O)[C@H]([C@H](C)CC)N3C(=O)c4ccccc4C3=O)n2)cc1 1872744632 AQBYDDAGAZBSOR-HARZFCMASA-N 499.636 6.656 50 10 JKGE N#C/C(=C(/O)c1ccc(-c2ccccc2)cc1)c1nc(-c2ccc(Br)cc2)cs1 1872746823 ZQHSIYYSEQXFAZ-LNVKXUELSA-N 459.368 7.189 50 10 JKGE CC(C)C[C@@H](/C(O)=C(\C#N)c1nc(-c2cccc3ccccc23)cs1)N1C(=O)c2ccccc2C1=O 1872752104 NSDVWNJQLYCTCZ-RITGCEONSA-N 493.588 6.467 50 10 JKGE COc1ccc(OC)c(C/C(O)=C(\C#N)c2nc(-c3ccc(Oc4ccccc4)cc3)cs2)c1 1872753964 WKJBOLDKDYVUGY-BZZOAKBMSA-N 470.550 6.655 50 10 JKGE CCc1cccc(CC)c1N1C[C@@H](/C(O)=C(\C#N)c2nc(-c3ccc(Cl)s3)cs2)CC1=O 1872758078 KFNLLWBOAVXGMG-ZOAKPAGHSA-N 484.046 6.496 50 10 JKGE CCOc1cc(/C=C(\C#N)c2nc(-c3ccc(OC)c(OC)c3)cs2)ccc1OCc1ccccc1 1872781808 SDOIJMBXFAZLNV-OEAKJJBVSA-N 498.604 6.869 50 10 JKGE COc1cc(/C=C(\C#N)c2nc(-c3cccc4ccccc34)cs2)ccc1OCc1ccc(C)cc1 1872792423 YFYSUVOACJHRJT-PCLIKHOPSA-N 488.612 7.924 50 10 JKGE COc1cc([C@H](Cl)c2c(Cl)sc(Br)c2Cl)ccc1Br 1876918830 LMEXYEMCJYCWDH-VIFPVBQESA-N 465.421 6.917 50 10 JKGE CN(Cc1cccc(Cl)c1Br)C[C@@H](Br)COCc1ccccc1 1916395571 UASIKWPDWPAYMF-MRXNPFEDSA-N 461.625 5.515 50 10 JKGE Cc1c(Br)sc([C@@H](Br)c2cc(F)c(F)c(F)c2)c1Br 1922887060 ZPBIECSTKBHLEC-VIFPVBQESA-N 478.953 6.483 50 10 JKGE CC[C@@H](c1ccccc1)[C@@H](Cl)c1c(Br)sc(Br)c1Br 1924596211 KQJJCHOZMWPYKE-JOYOIKCWSA-N 487.482 7.509 50 10 JKGE COc1cc(F)c(Br)cc1[C@H](Br)c1cc(Br)cs1 2052439048 YBJXKJWXEDUVLD-LBPRGKRZSA-N 458.972 5.905 50 10 JKGE BrC[C@@]1(Cc2ccc(Br)cc2Br)CCO[C@@H]1C1CC1 2092259951 CCHJXRMTPJXISY-CABCVRRESA-N 453.012 5.334 50 10 JKGE Cc1ccc([C@H](Cl)c2c(Br)cccc2Br)c(C)c1Br 2094094712 FIBURLFOCCXTKA-HNNXBMFYSA-N 467.426 6.919 50 10 JKGE O=S(=O)(c1ccc(CCl)cc1Br)N(Cc1ccccc1)C1CCCCC1 2095890045 IIHRNABDCRGGLC-UHFFFAOYSA-N 456.833 5.712 50 10 JKGE CC(C)CO[C@@H]1[C@@H](Br)C[C@H]1Oc1c(Br)cccc1Br 2109256370 CVVYLIUMRNHXSN-OUCADQQQSA-N 457.000 5.167 50 10 JKGE Cc1cc(Br)c(C)c([C@@H](Br)[C@H]2CCC(C)(C)C2)c1Br 2136374022 IEZLGRIZEXTUCV-NHYWBVRUSA-N 453.056 7.091 50 10 JKGE Cc1c(Br)ccc([C@@H](Cl)c2ccc(Br)cc2Cl)c1Br 2138868088 ZOBSUUVODSWMSA-AWEZNQCLSA-N 487.844 7.264 50 10 JKGE FC1(F)CCC[C@@H]2[C@H]([C@H](Br)c3ccc(Br)cc3Br)[C@@H]21 2138870798 BVRPMCZANAXTNH-GWNIPJSYSA-N 458.966 6.329 50 10 JKGE Clc1ccccc1C[C@H](CBr)Cc1c(Br)cccc1Br 2150496032 QBNSYCOVJJFRIS-NSHDSACASA-N 481.453 6.661 50 10 JKGE BrCc1c(Br)cccc1N1C[C@@]23CCC[C@@]2(CN(Cc2ccccc2)C3)C1 2153342348 XGSKQQWAKJONFR-ZRZAMGCNSA-N 490.283 5.837 50 10 JKGE Cc1cc2nc(CCl)n(CCCOCCOCc3ccccc3)c2cc1Br 2158586376 KAMDRRTXEWOKIY-UHFFFAOYSA-N 451.792 5.470 50 10 JKGE CC[C@@H](Br)[C@H]1CCCCN1C(=O)c1cc(Br)cc(Br)c1 2170615700 SBLBEIXRHAKBHE-ZIAGYGMSSA-N 468.027 5.380 50 10 JKGE Cc1cc(Br)c(C)c([C@@H](Br)[C@H]2C[C@H](C)O[C@H](C)C2)c1Br 2201066368 ZRRSLLZHBHJQJH-FXZYXXQUSA-N 469.055 6.468 50 10 JKGE Cc1cc(Br)c(C)c([C@H](Br)[C@@H]2CCC[C@@H]2C(C)C)c1Br 2201076966 GLYOYBJJUGITLZ-PBFPGSCMSA-N 467.083 7.337 50 10 JKGE Cc1c(Br)ccc([C@H](Br)[C@H]2[C@@H]3[C@H]2CCCC3(F)F)c1Br 2203707062 UMDXAPFNTAZJMQ-PRAYIBQGSA-N 472.993 6.637 50 10 JKGE Cc1c(Br)ccc([C@@H](Br)[C@@H]2CCCCCC2(F)F)c1Br 2203707328 VLAHFWBFWYOIDQ-SMDDNHRTSA-N 475.009 7.172 50 10 JKGE Cn1ncc([C@@H](Br)c2ccc(-c3ccccc3)s2)c1I 2206127842 JEJHISFMJFRFLC-CQSZACIVSA-N 459.150 5.238 50 10 JKGE Clc1ccsc1[C@H](Br)c1c(Br)cc(Cl)c(Cl)c1Cl 2217616993 BSCNQDXZAVADNG-MRVPVSSYSA-N 469.840 7.609 50 10 JKGE Cc1c(Br)sc([C@H](Br)c2cccc(F)c2Br)c1C 2218791966 VOTHDGLLQZDMPF-LLVKDONJSA-N 457.000 6.513 50 10 JKGE Cc1ccc(I)c([C@@H](Cl)c2c(C)sc(Br)c2C)c1 2224055839 SLOJWILQPYJKSW-CYBMUJFWSA-N 455.586 6.369 50 10 JKGE Clc1cc([C@@H](Cl)c2c(Br)cc(Cl)c(Cl)c2Cl)sc1Cl 2224303436 XDPAXEGAQLRKHU-SECBINFHSA-N 459.834 8.106 50 10 JKGE CC(C)(C)OC1CC(C[C@H](Br)c2cc(Br)c(Br)s2)C1 2224728359 XKMHYVNZRWMHGK-RTBKNWGFSA-N 475.084 6.693 50 10 JKGE CCCN[C@@H](c1cc(Br)c(Br)cc1F)C1CC(Br)C1 2225628400 GVVIODCVKWVRDU-OAQUUNCKSA-N 458.007 5.565 50 10 JKGE Cc1cc(Br)c([C@H](Br)[C@@]23CCC[C@H]2OCC3)c(C)c1Br 2235612018 MNDWAAWTYREYOP-UHOFOFEASA-N 467.039 6.224 50 10 JKGE COc1cc(Br)c([C@H](Br)c2cc(C)ccc2Br)cc1C 2236007770 KTYORMBQLMBHGR-MRXNPFEDSA-N 463.007 6.321 50 10 JKGE CC(C)(C)OC(=O)N1CCC(CI)(OCc2ccccc2C(F)(F)F)CC1 2236062943 NBDGOOVGXVTMIP-UHFFFAOYSA-N 499.311 5.427 50 10 JKGE Cc1ccc([C@@H](Br)c2ccc3c(c2Br)CCO3)cc1Br 2238075329 AIVTXKVEGLZBCG-OAHLLOKOSA-N 460.991 5.939 50 10 JKGE Cl[C@H](c1ccc([C@H]2CCOC2)s1)c1ccc(Br)cc1I 2240425701 BSJYYXMDVAZLFV-VFZGTOFNSA-N 483.596 5.947 50 10 JKGE Fc1cc(Cl)c(Br)cc1[C@H](Br)Cc1cc(Cl)cc(Cl)c1 2240915470 IHJVSBBGUDKDFC-LLVKDONJSA-N 461.383 7.227 50 10 JKGE Cl[C@@H](C[C@H]1CCCC12CC2)c1c(Br)sc(Br)c1Br 2255252457 ADUDYWOVOFYMIN-SFYZADRCSA-N 477.487 7.286 50 10 JKGE Cc1cc(C)c([C@@H](Br)c2scc(Br)c2Cl)c(C)c1Br 2264599632 XTPJHIBOUJKOII-GFCCVEGCSA-N 487.482 7.336 50 10 JKGE CN(Cc1ccccc1I)c1ccc(CCl)cc1Br 2265532257 HQDAGNNUKSLHHY-UHFFFAOYSA-N 450.545 5.429 50 10 JKGE Fc1cc(Br)c(F)c(Br)c1[C@H](Br)CC1CC(F)(F)C1 2272847382 MUBCDCZXDNPWFT-ZCFIWIBFSA-N 468.908 6.361 50 10 JKGE Brc1cc(Br)cc(C[C@H](Br)c2csc(C3CC3)n2)c1 2277955394 JIGYEJXKESHWAU-LBPRGKRZSA-N 466.036 6.224 50 10 JKGE CCCCCCCCC[C@H](Br)c1ccc(OC)c(I)c1 2285009925 NETDBUYYBJHRDR-HNNXBMFYSA-N 453.202 6.877 50 10 JKGE O=C(NC1CCC(Nc2cccc(S(F)(F)(F)(F)F)c2)CC1)OCc1ccccc1 2287031780 FXKTYJUCMPQKHW-UHFFFAOYSA-N 450.473 6.994 50 10 JKGE C=CCC1(CBr)CCN(Cc2cc(Br)ccc2Br)CC1 2287738473 IVVZJYVTIZLMAJ-UHFFFAOYSA-N 466.055 5.765 50 10 JKGE Fc1cc(Br)c(F)c(Br)c1[C@H](Br)C12CCCC1CCC2 2288361218 AMYBDXHFXOIVTP-MLRNSFOPSA-N 472.993 6.896 50 10 JKGE CCCOc1ccccc1C=C(C#N)C(=O)Nc1ncc(Cc2ccc(Br)cc2)s1 2293038546 KQUQLVXRQUMOHE-UHFFFAOYSA-N 482.403 5.831 50 10 JKGE C=CCOc1ccc(Cl)cc1C=C(C#N)C(=O)Nc1ncc(Cc2ccc(C)c(Cl)c2)s1 2293038555 LDFOUFLWLDNPOR-UHFFFAOYSA-N 484.408 6.460 50 10 JKGE CCOC(=O)C(C#N)=Cc1cc(Br)ccc1OCCOc1cc(C)ccc1C(C)C 2293520717 YJWDSZVZQFFUGQ-UHFFFAOYSA-N 472.379 5.809 50 10 JKGE COc1cc(C=C(C#N)c2nc3ccc(C)cc3[nH]2)ccc1OC(=O)c1cc(F)c(F)cc1Cl 2295146351 KQTAVPOXBGRIOJ-UHFFFAOYSA-N 479.870 6.095 50 10 JKGE CCOc1cc(C=C(C#N)C(=O)Nc2nccs2)ccc1OC(=O)c1ccc(Cl)cc1Cl 2295672429 XQQXAGBMBFUJDG-UHFFFAOYSA-N 488.352 5.613 50 10 JKGE CN(Cc1cc(Cl)ccc1I)[C@@H](CBr)c1ccccc1 2296472696 XDVVRCIIPWHYNP-INIZCTEOSA-N 464.572 5.513 50 10 JKGE COc1ccc(C[C@@H]2SC(=C(C#N)C(=O)Nc3c(C)cccc3C)N(c3ccccc3)C2=O)cc1 2296507037 QCQYGUQCUBDEHW-DEOSSOPVSA-N 483.593 5.377 50 10 JKGE Cc1cccc(C)c1NC(SCc1ccc(F)cc1)=C(C#N)S(=O)(=O)c1ccccc1 2297350080 TXIPKHROSFFDFU-UHFFFAOYSA-N 452.576 5.954 50 10 JKGE O=C(COc1ccc(-c2ccccc2)cc1)NN=C(C=Cc1ccccc1)C=Cc1ccccc1 2313625077 VYAMIZUZSXKGSB-UHFFFAOYSA-N 458.561 6.631 50 10 JKGE Cc1cc(Cl)ccc1[C@@H](Br)c1ccc(OCc2ccccc2)cc1Br 2314450196 XGRZXQLYBNHFCT-OAQYLSRUSA-N 480.627 7.474 50 10 JKGE CCc1ccc(N2C(=O)[C@@H](Cc3ccccc3Cl)SC2=C(C#N)C(=O)NCc2ccco2)cc1 2314593558 PAQQLMZBEWRAIQ-HSZRJFAPSA-N 492.000 5.238 50 10 JKGE CCOc1ccccc1[C@@H]1C(C#N)=C(N)Oc2cc(OC(=O)C=Cc3ccccc3Cl)ccc21 2314634112 NMRVFACMYUZGTC-SANMLTNESA-N 472.928 5.576 50 10 JKGE CCCCCOc1ccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)C=Cc4ccccc4)ccc32)cc1 2314640675 LEVPIQJLQTYEDI-LJAQVGFWSA-N 480.564 6.093 50 10 JKGE COCc1ccc([C@@H](Br)c2cc(Cl)ccc2I)s1 2315098127 RGDIHXZDTQRGNZ-ZDUSSCGKSA-N 457.558 5.637 50 10 JKGE Fc1c(Br)cc(Cl)c([C@@H](Br)C2(C(F)F)CC2)c1Br 2315453687 OXUYACCXWCAWEV-SECBINFHSA-N 471.336 6.485 50 10 JKGE CC[C@@H](C(C)C)[C@H](Br)c1c(Cl)cc(Br)c(F)c1Br 2315457275 AXOXPQPBYHLQBS-CPCISQLKSA-N 465.426 7.122 50 10 JKGE FC1(F)[C@@H]([C@@H](Br)c2sc(Cl)cc2I)C12CCCC2 2316604750 CAGPFYOMMMUFEE-WPRPVWTQSA-N 467.544 6.268 50 10 JKGE Clc1cc(I)c([C@@H](Br)c2cc3ncccc3s2)s1 2316776818 HFVXUPLBQZDGHQ-NSHDSACASA-N 470.582 6.100 50 10 JKGE CCOc1ccc(CCNC=C(C#N)C(=O)Nc2ccc(Oc3ccccc3)cc2)cc1OCC 2318463203 YPGJCQQEXXPPJZ-UHFFFAOYSA-N 471.557 5.455 50 10 JKGE COc1cc(C=NNC(=O)c2ccc(-c3ccc(F)c(F)c3)nc2C)ccc1OCc1ccccc1 2321215877 JVEOSGPTKDTZQO-UHFFFAOYSA-N 487.506 5.687 50 10 JKGE COc1cc(C=C(C#N)c2nc3cc(C)ccc3n2C)ccc1OCC(=O)Nc1ccc(C)cc1 2331018500 BSDTWNHHMFDWGV-UHFFFAOYSA-N 466.541 5.280 50 10 JKGE N#CC(=C(O)CCCOc1ccccc1Cl)c1nc(-c2ccc(-c3ccccc3)cc2)cs1 2331232040 LSQFSFIWIYZYBM-UHFFFAOYSA-N 472.997 7.782 50 10 JKGE C[C@H](Oc1ccc(Cl)cc1Cl)C(O)=C(C#N)c1nc(-c2cccc([N+](=O)[O-])c2)cs1 2331236641 PSBNDVBXMCIERJ-NSHDSACASA-N 462.314 6.285 50 10 JKGE COc1ccc(C=C(C(O)=C(C#N)c2nc(-c3cccc(OC)c3)cs2)c2ccccc2)cc1 2331246783 XLTJWMXCVVIYHX-UHFFFAOYSA-N 466.562 6.861 50 10 JKGE N#CC(=C(O)CN1C(=O)COc2ccc(Cl)cc21)c1nc(-c2cccc(Cl)c2)cs1 2331295695 SQXAJOFAQQHRDK-UHFFFAOYSA-N 458.326 5.335 50 10 JKGE COc1ccc(-c2csc(C(C#N)=C(O)COc3cc(Cl)ccc3Cl)n2)cc1F 2331336239 XNCQJDOPLIGPJM-UHFFFAOYSA-N 451.306 6.136 50 10 JKGE COc1cc(-c2csc(C(C#N)=C(O)[C@@H]3CC(=O)N(Cc4ccccc4)C3)n2)c(OC)cc1Cl 2331376889 GSVLLNHTLMPTPN-MRXNPFEDSA-N 495.988 5.322 50 10 JKGE COc1ccc(Cl)cc1-c1csc(C(C#N)=C(O)C=Cc2ccc(Cl)c(Cl)c2)n1 2331410780 COWLELAXHWYNLL-UHFFFAOYSA-N 463.773 7.285 50 10 JKGE CCN(Cc1ccccc1)c1ccc(C=C(C#N)c2nc(-c3cccc4ccccc34)cs2)cc1 2331456857 OHLQYWRERRUCIU-UHFFFAOYSA-N 471.629 8.054 50 10 JKGE COc1cc(OC)c(-c2csc(C(C#N)=Cc3cc(OC)c(O)c(OC)c3)n2)cc1Cl 2331472505 ZKAPYFHCSHLKHG-UHFFFAOYSA-N 458.923 5.268 50 10 JKGE COc1cc(C)c(-c2csc(C(C#N)=Cc3ccc(OCc4ccc(C)cc4)cc3)n2)cc1C 2331485745 WESBYWLPCBGSTJ-UHFFFAOYSA-N 466.606 7.387 50 10 JKGE CO[C@H]1C[C@@H]([C@@H](Br)c2cc(Br)ccc2OCc2ccccc2)C[C@H]1OC 2336039531 XQVJYKITOPFCTE-CGRMTHRGSA-N 484.228 5.904 50 10 JKGE CO[C@@H]1CC[C@@H]([C@H](Br)c2c(Cl)cc(Br)c(F)c2Br)C1 2337084128 HXCCTYAQAIYMNY-AMXGMDGSSA-N 479.409 6.255 50 10 JKGE CN(Cc1ccc(Cl)c(I)c1)[C@H](CCBr)C(F)(F)F 2337219458 SRJBWSJILRIBJS-LLVKDONJSA-N 470.498 5.092 50 10 JKGE Cc1cc(Br)c(F)c(Br)c1[C@@H](Br)CCCC(C)(F)F 2339659519 SZDISHZJRCMURB-QMMMGPOBSA-N 466.961 6.921 50 10 JKGE CCN(C[C@](C)(CI)OCCC1CCCCCCC1)C(=O)OC(C)(C)C 2342139296 SXNNPGFEGJGYKX-NRFANRHFSA-N 481.459 6.204 50 10 JKGE CC(C)n1nc(Br)nc1C[C@@H](Br)c1ccccc1Br 2353724933 PKHGWOVVZZVVDA-LLVKDONJSA-N 451.988 5.063 50 10 JKGE Fc1cc(Cl)c(Br)c(Cl)c1[C@H](Br)C[C@H]1C[C@@H]1C(F)(F)F 2360426287 KHWJKDXRMWGEQL-NGJCXOISSA-N 458.902 6.920 50 10 JKGE CCCOc1cccc([C@@H](Br)c2ccc(OCc3ccccc3)cc2Br)c1 2361195813 RVCPXOXUKVDVMK-HSZRJFAPSA-N 490.235 7.301 50 10 JKGE Brc1cc(OCc2ccccc2)ccc1[C@H](Br)[C@@H]1CCC[C@H]2CCCC[C@@H]21 2361196110 VASUXIRFRBUQJL-LOCCHRAXSA-N 492.295 8.071 50 10 JKGE COc1cc(C[C@@H](CBr)c2cccc(Br)c2)c(Br)cn1 2362180780 WGMKAPUHXRFLOS-LBPRGKRZSA-N 463.995 5.336 50 10 JKGE CCCN[C@H](c1c(C)cc(Br)c(OC)c1Br)[C@H]1C[C@H]1Br 2365188808 OLJVZKKQZFQBPO-RBZYPMLTSA-N 470.043 5.353 50 10 JKGE FC1(F)[C@H]2C[C@@H](CO[C@@H](CI)c3cccc(Br)c3)C[C@H]21 2369979580 KBEXSYCIQXAARR-VZLIPTOUSA-N 457.096 5.233 50 10 JKGE C=CC[C@@]1(CCl)CCCN(Cc2ccc(I)c(Br)c2)C1 2377353078 FHJDVRVNKXYJGP-INIZCTEOSA-N 468.604 5.451 50 10 JKGE COc1cc(CBr)ccc1OCc1cc(I)ccc1Cl 2380453043 NTQXYMGSTGBLRA-UHFFFAOYSA-N 467.528 5.427 50 10 JKGE CC(C)(C)c1ccc(C(=O)Nc2ccc(C(=O)N/N=C/c3ccc(Cl)cc3Cl)cc2)cc1 12491827 JZGYMOQELDJKLZ-RWPZCVJISA-N 468.384 6.307 50 10 JKGE CC(C)(C)c1ccc(OCC(=O)N/N=C/c2ccc(-c3ccccc3)cc2)c(Br)c1 14017116 LASLFDBLDOBWHA-JVWAILMASA-N 465.391 5.943 50 10 JKGE N#C/C(=C/c1ccc(OC(=O)CCCOc2ccc(Cl)cc2Cl)cc1)c1ccccc1 31900213 FANDGLWYHDUJGH-HKWRFOASSA-N 452.337 6.822 50 10 JKGE COc1ccc(/C(C#N)=C\c2ccc(OC(=O)c3ccc(-n4cccc4)cc3)cc2)cc1OC 31901141 FYFKMXRZNZQAFY-QJOMJCCJSA-N 450.494 5.778 50 10 JKGE COc1cc(/C=C(\C#N)c2nc(-c3ccc4ccccc4c3)cs2)ccc1OCc1ccccc1 33572758 BYGYTUIKOGOXOI-CVKSISIWSA-N 474.585 7.615 50 10 JKGE COc1cccc(/C=C(/C#N)C(=O)Nc2cc(Cl)ccc2C)c1OCc1cccc(C(=O)O)c1 34921361 HTTUVBNETFFARB-NDENLUEZSA-N 476.916 5.480 50 10 JKGE C[C@H](Oc1ccccc1F)C(=O)Oc1ccc2c(c1)OC(N)=C(C#N)[C@@H]2c1cccc2ccccc12 38657820 DIYYELKOHJSRIJ-CBZJRKILSA-N 480.495 5.570 50 10 JKGE CCCCOc1ccc(C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@@H]3c2cccc(OCCC)c2)cc1 38684434 NPVJMPOGSIZRGE-MUUNZHRXSA-N 498.579 6.092 50 10 JKGE CCCCOc1cccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4ccccc4Cl)ccc32)c1 38685061 ZDKBCWPAOMTVEG-RUZDIDTESA-N 474.944 5.956 50 10 JKGE COc1ccccc1[C@H]1C(C#N)=C(N)Oc2cc(OC(=O)c3cc(Cl)c(OC)c(Cl)c3)ccc21 38687246 HCDJWXFSZIHTBV-JOCHJYFZSA-N 497.334 5.448 50 10 JKGE CCc1ccc2oc(C(=O)Oc3ccc4c(c3)OC(N)=C(C#N)[C@@H]4c3cccc(OC)c3)c(C)c2c1 38687328 MQUBGALRVKDARR-AREMUKBSSA-N 480.520 5.750 50 10 JKGE Cc1c(C(=O)N2c3ccccc3C[C@@H]2C)oc2c1/C(=N/NC(=O)c1ccc(Cl)cc1)CCC2 40811631 MASGFHYLKKFEHG-GQIVLKDASA-N 461.949 5.303 50 10 JKGE Cc1ccc(-c2ccccc2)n1-c1ccc(C(=O)N/N=C/c2ccc(-c3ccc(F)cc3)o2)cc1 59680337 DUOWELOVRHJQOJ-ZCTHSVRISA-N 463.512 6.616 50 10 JKGE CCCCCCCC(=O)N/N=C/c1ccc(SCC(=O)Nc2ccc3ccccc3c2)o1 100986747 AOMKXJOXXZLRPU-YZSQISJMSA-N 451.592 5.974 50 10 JKGE CCOc1ccc(N2C(=O)[C@@H](Cc3ccccc3)S/C2=C(/C#N)C(=O)Nc2ccccc2OC)cc1 101246689 CCQWTXFUXPVCMD-KVILUOORSA-N 499.592 5.159 50 10 JKGE Cc1ccc(C(C)C)c(Oc2nc3ccccn3c(=O)c2/C=C(/C#N)C(=O)NCCc2ccccc2)c1 102851575 LBDOXMIJKCYUMS-NKFKGCMQSA-N 492.579 5.185 50 10 JKGE COc1cc(Br)c([C@H](Br)c2ccc(Br)cc2F)cc1OC 109860428 PGSODJSRVJPGIZ-OAHLLOKOSA-N 482.969 5.852 50 10 JKGE CCOc1cc(Cl)c([C@@H](Br)c2ccc(Br)s2)cc1OCC 109866047 YAWPXBVPVPNASP-OAHLLOKOSA-N 454.611 6.446 50 10 JKGE Brc1cc([C@H](Br)c2ccc(C3CCCCC3)cc2)sc1Br 128550847 LLHXJGGFHJTYEB-MRXNPFEDSA-N 493.102 7.805 50 10 JKGE Brc1cc([C@@H](Br)Cc2cccc3ccccc23)sc1Br 128585953 BZDOOGPMSJSINB-ZDUSSCGKSA-N 475.043 7.105 50 10 JKGE C[C@H](Cl)c1nc2cc(I)ccc2n1Cc1sccc1Br 148432203 OPPBYJBKWZGEFO-QMMMGPOBSA-N 481.584 5.813 50 10 JKGE COc1ccc([C@H](Br)c2cc(Br)ccc2Br)cc1Cl 161077577 NXEWYYDLJFJDFB-AWEZNQCLSA-N 469.398 6.358 50 10 JKGE Cc1ccc(Br)c(-n2c(CCCl)nc3cc(I)ccc32)c1 164091145 KRPAEMIFHVGJQW-UHFFFAOYSA-N 475.555 5.482 50 10 JKGE Cc1ccc(/C=C\C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@H]3c2ccc(C(C)(C)C)cc2)cc1 205640967 UQZZAKZUJKRDIY-PPGHNPIWSA-N 464.565 6.130 50 10 JKGE CCOC(=O)c1c(NC(=O)N/N=C/c2cccc(OCc3ccccc3)c2)sc2c1CC[C@H](C)C2 206220932 CWSYUZHQYKWPDB-CTOFZRSPSA-N 491.613 5.784 50 10 JKGE CC1=C(C#N)C(=O)N(C2CCCCC2)C(=O)/C1=C\c1cn(-c2ccccc2)nc1-c1ccc(C)c(F)c1 214364317 QEPJZCYLMUEZEL-MYYYXRDXSA-N 494.570 5.912 50 10 JKGE CC(=O)Nc1ccc(NC(=O)/C(C#N)=C\Nc2cc(C(F)(F)F)cc(C(F)(F)F)c2)cc1 216933878 ZTBOAQGNNOGTDI-BENRWUELSA-N 456.346 5.141 50 10 JKGE Brc1cc([C@H](Br)[C@@H]2CCc3ccccc3C2)sc1Br 223618866 AUKBMMLRGXDWRC-BXUZGUMPSA-N 465.048 6.514 50 10 JKGE CCOc1ccc([C@@H](Cl)c2ccccc2I)cc1Br 228989603 GBQQPWSINZJGAC-OAHLLOKOSA-N 451.529 5.781 50 10 JKGE Clc1cc([C@H](Br)c2sccc2Br)ccc1I 232344769 UBLWIGLCTFFQCY-JTQLQIEISA-N 492.401 6.253 50 10 JKGE CC(=NNC(=O)c1ccc(Br)o1)c1ccc(NC(=O)c2ccccc2Cl)cc1 252620601 MHQQNJJVXJYFNL-UHFFFAOYSA-N 460.715 5.102 50 10 JKGE CC[C@@H](N/C=C(/C#N)C(=O)Nc1ccccc1Sc1ccccc1)c1ccc2c(c1)CCCC2 253317825 AOKULPMGPLFFLD-DKTMBNMKSA-N 467.638 6.803 50 10 JKGE CC(C)[C@H]1CC[C@@]2(C)CC[C@]3(C)[C@H](CC[C@@H]4[C@]3(C)CC[C@@H]3C(C)(C)C(=O)OC(=O)C[C@@]34C)[C@@H]12 254518839 FGIQVZRHSAAMRL-GMLSEYNBSA-N 456.711 7.424 50 10 JKGE CC(CC12C[C@H]3C[C@@H](CC(Br)(C3)C1)C2)=NNC(=O)c1cc(C2CC2)nc2c1c(C)nn2C 254706097 JGHXQDMREUSAKV-IMWZJCIKSA-N 498.469 5.384 50 10 JKGE CCCOc1cccc(C(C)=NNC(=O)c2cc(-c3ccc(CC)cc3)nc3c(Cl)cccc23)c1 263627918 YGHWORZGYMZVGF-UHFFFAOYSA-N 486.015 7.060 50 10 JKGE FC(F)(F)c1csc([C@@H](Cl)c2ccccc2I)c1Br 302653256 WHFKJGNTHNPYFB-JTQLQIEISA-N 481.502 6.462 50 10 JKGE ClCc1nc2cc(I)ccc2n1[C@H]1CCCN(Cc2ccccc2)C1 310522505 BYSOTNOJCRWPDK-KRWDZBQOSA-N 465.766 5.217 50 10 JKGE O=C(OCc1ccccc1)N1C[C@@H](CCl)[C@@H](c2cc(Br)ccc2Br)C1 382690138 MIHRYLSFNDKTBP-PBHICJAKSA-N 487.619 5.803 50 10 JKGE Cc1cc([C@H](Br)c2ccc(Br)cc2Br)c(C)cc1F 386310536 BCJQEFMKCIMXIT-OAHLLOKOSA-N 450.971 6.452 50 10 JKGE Fc1cc2c(cc1I)nc(CCl)n2CCCOCc1ccccc1 389953956 YWOCNTNYCSZQNX-UHFFFAOYSA-N 458.702 5.126 50 10 JKGE CCOc1ccc(Br)cc1[C@H](Br)c1cscc1Br 404722937 VXOFJAPOZZSALY-ZDUSSCGKSA-N 455.009 6.156 50 10 JKGE CC(C)(C)OC(=O)NCCN1CCCO[C@@H](c2cccc(CCO[Si](C)(C)C(C)(C)C)c2)C1 616654627 KDLZTGJMIKIJSA-HSZRJFAPSA-N 478.750 5.539 50 10 JKGE CC(C)(C)[Si](C)(C)OCCc1ccccc1[C@H]1CN(Cc2ccccc2)c2ccccc2N1 616685139 PMUKCYKYBWAJOK-HHHXNRCGSA-N 458.722 7.424 50 10 JKGE Fc1cc(Br)cc(CC(CBr)(CBr)C2CCCCC2)c1 696837801 NRJJSXRISVVBRW-UHFFFAOYSA-N 471.046 6.487 50 10 JKGE Cc1sc(Br)cc1[C@H](Cl)c1scc(Br)c1Br 705407997 DVRYANQDGOQJRT-VIFPVBQESA-N 465.457 6.734 50 10 JKGE COc1ccccc1C[C@@H](Br)c1scc(Br)c1Br 707789759 JFMAIBZDQITTPD-SECBINFHSA-N 455.009 5.960 50 10 JKGE Cc1ccc(C(CBr)(CBr)Cc2ncc(Br)s2)cc1 713636741 AALYHMRAMZMUST-UHFFFAOYSA-N 468.052 5.484 50 10 JKGE C[C@H](COCc1ccccc1)CC(CBr)(CBr)c1cccc(Cl)c1 719439101 LZOVQPGWGYEHIM-INIZCTEOSA-N 474.664 6.611 50 10 JKGE CN(C[C@H]1CCCCN1Cc1ccccc1)c1cccc(Br)c1CBr 720016922 NXHWRFORSOSAPP-GOSISDBHSA-N 466.261 5.835 50 10 JKGE Cn1cc([C@H](Br)c2ccc(Br)c3ccccc23)nc1Br 829354461 PZKBTZFBGYWGMZ-CQSZACIVSA-N 458.979 5.583 50 10 JKGE COc1ccccc1NC(=O)COc1ccc(/C=C(/C#N)c2ccc([N+](=O)[O-])cc2)cc1Cl 1081111530 MGWLYPBJBJALEO-PDGQHHTCSA-N 463.877 5.338 50 10 JKGE Cc1cc(C=NNC(=O)CSCc2cccc(Cl)c2)c(C)n1-c1cc(Cl)ccc1Cl 1083923270 OYEJGEIRHWCTIA-UHFFFAOYSA-N 480.848 6.438 50 10 JKGE COc1ccc(COC(=O)NN=C2C(=O)N(Cc3c(Cl)cccc3Cl)c3ccccc32)cc1 1083981476 XMSZUNACJNULAV-UHFFFAOYSA-N 484.339 5.179 50 10 JKGE CC[C@H](Oc1ccc2ccccc2c1Br)C(=O)NN=Cc1ccc(Cl)c([N+](=O)[O-])c1 1084586942 LDJZYBYUFBEDLL-SFHVURJKSA-N 490.741 5.472 50 10 JKGE O=C(NN=Cc1ccc(OCc2ccc(Cl)cc2Cl)cc1)C(=O)Nc1cccc(Cl)c1 1084656445 UWUNARAZPOOPPU-UHFFFAOYSA-N 476.747 5.315 50 10 JKGE Cc1c(C(=O)Nc2ccc(C(C)C)cc2)oc2c1C(=NNC(=O)c1ccc([N+](=O)[O-])cc1)CCC2 1772745380 XQCUSFGOOJTXIL-UHFFFAOYSA-N 474.517 5.342 50 10 JKGE COc1cc(C=NNC(=O)[C@@H](C)Oc2ccc(C(C)(C)C)cc2)ccc1OCc1ccc(Cl)cc1 1772756464 ZJOQOSBGJGGWKA-LJQANCHMSA-N 495.019 6.143 50 10 JKGE COc1ccc(C=NNC(=O)CSc2nc3ccccc3[nH]2)cc1OCc1ccc(Cl)cc1 1772760520 NWNBOMRYPIUHSV-UHFFFAOYSA-N 480.977 5.046 50 10 JKGE Cc1ccc(C)c(Cn2nc(C(F)(F)F)c3c2OC(N)=C(C#N)[C@H]3c2c(F)cccc2Cl)c1 1865686656 YTCMNJYAEQFYOX-KRWDZBQOSA-N 476.861 5.578 50 10 JKGE CCCCOc1ccc([C@@H]2C(C#N)=C(N)Oc3c2c(CC)nn3-c2cccc(Cl)c2)cc1OC 1865697448 STBYIQZZDPDQDR-HSZRJFAPSA-N 478.980 5.494 50 10 JKGE COc1ccc([C@@H]2C(C#N)=C(N)Oc3c2c(C(F)(F)F)nn3-c2cccc3ccccc23)cc1OC 1865707545 ZCALCPXZNLYVBZ-OAQYLSRUSA-N 492.457 5.280 50 10 JKGE COc1ccc(-c2nn(CC(C)C)c3c2[C@H](c2ccc(Br)cc2)C(C#N)=C(N)O3)cc1 1865714555 MRTNZHAWMUZUNV-HXUWFJFHSA-N 479.378 5.195 50 10 JKGE N#C/C(=C\c1cccc(Br)c1)C(=O)Nc1cc(C(F)(F)F)cc(C(F)(F)F)c1 1866130859 QHESVPMIQDNADK-NYYWCZLTSA-N 463.175 6.032 50 10 JKGE CC[C@](C)(NC(=O)[C@H](c1ccc(Cl)c(Cl)c1)C(C)C)C(=O)Nc1ccc(SC#N)cc1 1866997208 RRIAVAIRWZRBTL-REWPJTCUSA-N 478.445 6.230 50 10 JKGE COc1cc2c(cc1OC)N(c1cc(Nc3ccc(SC#N)cc3)nc(-c3ccc(C)cc3)n1)CC2 1868321078 UHIUYCNPWCLCRR-UHFFFAOYSA-N 495.608 6.480 50 10 JKGE COc1ccc(C(C)(C)C)cc1-c1csc(/C(C#N)=C(\O)CN2C(=O)c3ccccc3C2=O)n1 1872751869 XQMKRCMZDPVJRT-VZCXRCSSSA-N 473.554 5.205 50 10 JKGE CCCCOc1ccc(/C(O)=C(\C#N)c2nc(-c3cc(C(C)(C)C)ccc3C)cs2)cc1OCC 1872755714 BHCKMEQMXIZRJY-VYIQYICTSA-N 490.669 7.944 50 10 JKGE Cc1cc(C)c(-c2csc(/C(C#N)=C(\O)c3ccc(N4C(=O)c5ccccc5C4=O)cc3)n2)c(C)c1 1872757018 MLDRDWYCAJYTPY-RWEWTDSWSA-N 491.572 6.486 50 10 JKGE CCCOc1ccc(-c2csc(/C(C#N)=C/c3ccc(C(C)(C)C)cc3)n2)cc1OCCC 1872790209 RSSDONVZPCTEJN-CJLVFECKSA-N 460.643 7.749 50 10 JKGE CCOc1ccc(/C=C(\C#N)c2nc(-c3cc(Cl)c(OC)cc3OC)cs2)cc1OCC 1872793648 LIPGKFKAIDQLEG-CXUHLZMHSA-N 470.978 6.342 50 10 JKGE Cc1cc(Br)c([C@@H](Br)C2(C(C)(C)C)CCC2)cc1Br 1876771860 KOTSYNHEODZHFG-CQSZACIVSA-N 453.056 7.172 50 10 JKGE Brc1cc([C@H](Br)[C@H]2C[C@@H](Br)C2)c(Br)s1 1893106310 FFKMHWPEBQIRIN-GLDDHUGJSA-N 467.846 5.883 50 10 JKGE Clc1c(Br)sc(Br)c1[C@@H](Br)[C@@H]1C[C@@H]2CC[C@H]1O2 1906732360 AXUQMHGENIDLEO-FJDLHZNMSA-N 465.432 5.930 50 10 JKGE C[C@@H](CCl)N(Cc1ccccc1)C(=O)c1cc(I)ccc1Br 1914226756 BZUINTLSJDXYGT-LBPRGKRZSA-N 492.582 5.323 50 10 JKGE C[C@@H](CBr)N(Cc1ccccc1)c1ccc(C(F)(F)F)cc1Br 1914347516 FWTSMPXXJOPUTA-LBPRGKRZSA-N 451.124 6.258 50 10 JKGE Cc1cc(S(=O)(=O)N(Cc2ccccc2)[C@H](C)CCBr)sc1Br 1915087939 CUTVCACKSYKGIV-CYBMUJFWSA-N 481.275 5.183 50 10 JKGE Cc1c(Br)sc([C@H](Cl)c2cccc(OCc3ccccc3)c2)c1Br 1922887836 OPEIGLRCEBSSQE-QGZVFWFLSA-N 486.656 7.489 50 10 JKGE Cc1c(Br)sc([C@H](Br)C(C)(C)c2ccccc2)c1Br 1922899088 AARNSUOONBMFQQ-ZDUSSCGKSA-N 467.064 6.995 50 10 JKGE CC1(C)CCCO[C@H]1COc1c(Br)cc(Br)cc1CBr 1923821125 MHMDDCBXMYTGRE-ZDUSSCGKSA-N 471.027 5.691 50 10 JKGE Cc1cc(Br)c([C@@H](Br)Cc2ccncc2Br)cc1Cl 1924056884 QJURQRLYMJJQKN-LBPRGKRZSA-N 468.414 6.247 50 10 JKGE Clc1cc(Br)ccc1[C@@H](Br)c1c(Cl)sc(Cl)c1Cl 1925587125 GYUPTBRGNCAPSD-MRVPVSSYSA-N 469.840 7.609 50 10 JKGE CCc1cc(Br)c([C@@H](Br)c2ccc(OCc3ccccc3)cc2)s1 1942102967 ZOCBIZAWQAUZLP-IBGZPJMESA-N 466.238 7.136 50 10 JKGE Brc1csc([C@@H](Br)c2cc(Br)sc2Br)c1 1961677087 IASCPGLTOXNSFD-QMMMGPOBSA-N 495.881 6.581 50 10 JKGE CC(C)(C)OC(=O)NCCSSCCNCc1cc(Cl)cc(Br)c1 2010825581 MZLNSSTYVWIQPZ-UHFFFAOYSA-N 455.871 5.098 50 10 JKGE CCN[C@@H](c1c(Br)sc(Br)c1Br)C1CC(Cl)C1 2020462388 BJFAHNXHQWBIRG-GVNUUABZSA-N 466.464 5.704 50 10 JKGE Cl[C@H](c1ccc(Br)cc1Br)c1ccccc1I 2024280911 CMHBFHGMGUQZKT-CYBMUJFWSA-N 486.372 6.144 50 10 JKGE C[C@]1([C@@H](Cl)c2c(Br)sc(Br)c2Br)CCCC1(F)F 2048965767 BKXMPPTVMVHGAO-OIBJUYFYSA-N 487.429 7.141 50 10 JKGE Brc1cc([C@H](Br)[C@@H]2C[C@@H]2C2CCOCC2)sc1Br 2079393414 QIURCRLRBIBINS-KBVBSXBZSA-N 459.041 5.772 50 10 JKGE Cc1sc(Br)c([C@@H](Br)c2cc(Br)ccc2Cl)c1C 2082886797 YVJVIOAJUADWFX-LBPRGKRZSA-N 473.455 7.028 50 10 JKGE Cc1ccc(CC(CBr)(CBr)c2ccc(Br)cc2)o1 2087976155 XKGFNLLQSAASAY-UHFFFAOYSA-N 450.996 5.621 50 10 JKGE CS(=O)(=O)c1csc([C@H](Br)c2cccc(Br)c2Br)c1 2093073160 YTECLMOMMWJOBY-GFCCVEGCSA-N 489.048 5.161 50 10 JKGE Brc1cc2c(cc1[C@@H](Br)c1cscc1OCc1ccccc1)OCCO2 2100091361 JMSCRIIRHOQCJV-HXUWFJFHSA-N 496.220 6.345 50 10 JKGE Cl[C@@H](CCc1c(Br)cccc1Br)c1ccccc1Br 2113440909 BRNUELXBNWWULR-HNNXBMFYSA-N 467.426 6.887 50 10 JKGE Cc1ccc(Br)c(F)c1C[C@H](Br)c1ccc(Br)cc1 2113488014 YIVCTRNKEULBBY-AWEZNQCLSA-N 450.971 6.338 50 10 JKGE Fc1cc(Br)cc(N2C[C@@H]3CN(Cc4ccccc4)CC[C@H]3C2)c1CBr 2114260664 IWOYXOZGZBWJAF-IRXDYDNUSA-N 482.235 5.441 50 10 JKGE FC1(F)CCC[C@@H]2[C@H]([C@@H](Cl)c3c(Br)sc(Br)c3Br)[C@H]21 2114391521 GUESTKGPLPJSSB-LSSCIPKCSA-N 499.440 6.997 50 10 JKGE Clc1ccc(I)c(CN(CCBr)Cc2ccsc2)c1 2114664139 CSTCTYLBDQWGSW-UHFFFAOYSA-N 470.601 5.403 50 10 JKGE C[C@@H](C1CC1)N(Cc1ccccc1)S(=O)(=O)c1ccc(Cl)c(CBr)c1Cl 2123253962 HAHSBILJTUYYNM-ZDUSSCGKSA-N 477.251 5.878 50 10 JKGE Clc1cc(Br)cnc1COc1c(Br)cccc1CBr 2127187092 FFGQEQUMISEKCP-UHFFFAOYSA-N 470.386 5.734 50 10 JKGE Cc1cc(Br)c(C)c([C@H](Br)[C@@H]2C[C@@H]2[C@H]2C[C@@H]2C)c1Br 2136366988 MURGNUQVXGZFAP-LXMLNXAMSA-N 451.040 6.557 50 10 JKGE Cc1cc(Br)c(C)c([C@@H](Br)C(C)(C)CC(F)F)c1Br 2136380723 WHAZCPWQYGHSKH-CYBMUJFWSA-N 462.998 6.946 50 10 JKGE Fc1cc(Br)c([C@H](Br)c2cc(Cl)sc2Cl)c(F)c1Cl 2136966439 JRGFKHHGFDJALA-MRVPVSSYSA-N 471.375 7.233 50 10 JKGE COc1ccc([C@@H](Br)c2cc(Br)c(Cl)s2)c(Cl)c1Cl 2138628667 VPVUWOXEDHGYLL-SECBINFHSA-N 465.421 6.964 50 10 JKGE Cc1c(Br)ccc([C@H](Br)[C@@H]2C[C@@]23CCCOC3)c1Br 2138848939 HUQBBLRUEAHRPQ-TUKIKUTGSA-N 453.012 5.773 50 10 JKGE Fc1cc(F)c([C@@H](Cl)c2ccc(Br)cc2I)cc1F 2142288982 WUVKQLZXTMBUHP-ZDUSSCGKSA-N 461.446 5.799 50 10 JKGE C[C@H](Br)C12CCC(CC1)N2C(=O)c1cc(Br)cc(Br)c1 2153386169 MCCYIZWGBSETSE-FIJUAKJSSA-N 466.011 5.132 50 10 JKGE CC(C)(C)OC(=O)N[C@H]1CN(CC2(CBr)CCCCCC2)C[C@H]1C(F)(F)F 2163057680 DFFLVZCLWCGUKX-CABCVRRESA-N 457.375 5.109 50 10 JKGE O=C(NC[C@H]1CCCC[C@H](Br)C1)c1ccc(I)c(Cl)c1 2163746378 ROPTXFPEAMRNRB-JQWIXIFHSA-N 470.576 5.018 50 10 JKGE Clc1ccccc1C(CBr)(CBr)Cc1snc(Cl)c1Cl 2167231889 PRZNXNOLFFPYES-UHFFFAOYSA-N 478.464 6.374 50 10 JKGE Cc1cc(Br)cc(CCl)c1OCc1cc(Br)ccc1Br 2175142964 WKJHIARPJHVWLT-UHFFFAOYSA-N 483.425 6.600 50 10 JKGE Brc1cccc(CN2CCCC23CCC(Br)CC3)c1Br 2202274491 PSELHULTPNNACR-UHFFFAOYSA-N 466.055 5.884 50 10 JKGE Cc1c(Br)ccc([C@H](Br)[C@H]2COc3ccccc32)c1Br 2203685046 IYUFADAKBIFTFH-LRDDRELGSA-N 460.991 6.132 50 10 JKGE COc1c(Br)cc(C)cc1[C@H](Br)c1ccc(Cl)c(Br)c1 2203830998 ZMRIEBLIIQVPSU-CQSZACIVSA-N 483.425 6.666 50 10 JKGE COCC12CC([C@@H](Br)c3ccc(Br)c(C)c3Br)(CO1)C2 2206073716 KQODWVZVODYGDC-NFOMZHRRSA-N 469.011 5.152 50 10 JKGE Clc1cc(Br)ccc1C[C@H](Cl)c1csc(I)c1 2215863259 PRDQPSRIUKIWIL-JTQLQIEISA-N 461.977 6.291 50 10 JKGE Cc1cccc([C@H](Cl)c2c(C)sc(Br)c2C)c1I 2218806175 RPRMCABWUPHVRT-LBPRGKRZSA-N 455.586 6.369 50 10 JKGE Cc1sc(C[C@@H](Br)c2ccc(Br)cc2)c(C)c1Br 2218930787 GQYFRELAMNQEFJ-GFCCVEGCSA-N 453.037 6.569 50 10 JKGE FC(F)(F)c1cnc(N(Cc2ccccc2)C2(CBr)CCC2)c(Br)c1 2224025699 JEPODZZZOOIGFJ-UHFFFAOYSA-N 478.150 6.187 50 10 JKGE Cc1cc(Br)c([C@H](Br)CC(F)(F)C(F)F)c(C)c1Br 2227351292 LFLPEWGUUFNQFQ-MRVPVSSYSA-N 470.924 6.555 50 10 JKGE Cc1c(Br)csc1[C@@H](Br)c1cc(Br)c2c(c1)C[C@@H](C)O2 2234516015 YEHBLSDHWAMLHR-UHLUBPPHSA-N 481.047 6.389 50 10 JKGE Cc1cc([C@H](Br)c2ccc(F)c(Br)c2F)cc(C)c1Br 2235680365 XCQVFUOCOBUTNR-ZDUSSCGKSA-N 468.961 6.591 50 10 JKGE Fc1cc([C@H](Br)c2scc(Br)c2Cl)c(F)cc1Br 2253605110 SDMHIGYDTREHOC-VIFPVBQESA-N 481.381 6.689 50 10 JKGE COc1ccc([C@H](Br)c2cc(Br)sn2)c(Br)c1Cl 2256322760 HDNPXSIUHFMWIB-VIFPVBQESA-N 476.415 5.814 50 10 JKGE CC(C)[C@H](CBr)N(Cc1ccccc1)c1ccnc2ccc(Br)cc12 2257466989 TVXDUADIPHIGAE-NRFANRHFSA-N 462.229 6.423 50 10 JKGE Fc1cc(Br)c([C@@H](Cl)c2scc(Br)c2Cl)c(F)c1Cl 2264610077 RJMIMVZFWZNSBQ-SECBINFHSA-N 471.375 7.186 50 10 JKGE Cc1cc([C@H](Br)c2c(F)cccc2I)c(C)cc1Br 2267740406 PMOYDFLAHGADTF-HNNXBMFYSA-N 497.971 6.294 50 10 JKGE COC[C@]1(C)C[C@@H]1[C@H](Br)c1c(Br)cc(Cl)c(Cl)c1Cl 2269305514 YAFYHLKYRJDYOY-FZTXSHAMSA-N 451.413 6.518 50 10 JKGE Clc1cccc([C@@H](Br)c2cc3c(cc2Br)OCC3)c1Br 2283188977 OYGIABUUZYEAFK-CQSZACIVSA-N 481.409 6.284 50 10 JKGE COc1ccc([C@@H](Cl)c2cc(Br)c(Br)s2)c(Cl)c1OC 2283585932 FUYNEBRCQJZLRI-SNVBAGLBSA-N 461.002 6.272 50 10 JKGE C=CCC1(CBr)CCN(Cc2ccc(Br)cc2Br)CC1 2287715644 FZZXIRNNJZQNHJ-UHFFFAOYSA-N 466.055 5.765 50 10 JKGE Fc1cc(Br)c(F)c(Br)c1[C@@H](Br)[C@@H]1CC2CCC1CC2 2288374587 VBWOHJYYPKQTAM-YYQWEOLTSA-N 472.993 6.752 50 10 JKGE CCOc1ccc(C=C(C#N)C(=O)Nc2ccc(S(=O)(=O)Nc3c(C)cccc3C)cc2)cc1 2293601555 TTWQGABUKBJPGS-UHFFFAOYSA-N 475.570 5.049 50 10 JKGE CCOc1cc(C=C(C#N)C(=O)Nc2cccc(Cl)c2Cl)cc(Br)c1OC 2293671905 PVTJZQZDEXZLCK-UHFFFAOYSA-N 470.150 5.709 50 10 JKGE COc1c(Br)cc(Cl)cc1[C@H](Cl)c1ccc(I)c(C)c1 2295276960 LHJLFOQPGRUATO-CQSZACIVSA-N 485.974 6.352 50 10 JKGE Cc1ccc(C[C@@H]2SC(=C(C#N)C(=O)Nc3ccccc3)N(c3ccccc3C)C2=O)cc1Cl 2296507201 YDWAOIDBWICRFF-DEOSSOPVSA-N 488.012 6.022 50 10 JKGE N#CC(=Cc1cn(-c2ccccc2)nc1-c1ccc(Br)cc1)C(=O)N1CCCCC1 2296716188 GBNHNRNJUDQKAK-UHFFFAOYSA-N 461.363 5.221 50 10 JKGE CCc1ccc(NC(SCc2cccc([N+](=O)[O-])c2)=C(C#N)C(=O)NCc2ccco2)cc1 2297414530 CVVVPGDDJPJHAG-UHFFFAOYSA-N 462.531 5.147 50 10 JKGE C[C@@H]1COCC[C@H]1[C@H](Br)c1cc(Br)ccc1OCc1ccccc1 2299494261 NGIUVXXUMROBHH-ZTQAJYAQSA-N 454.202 6.137 50 10 JKGE Fc1c(Br)cc(Cl)c([C@@H](Br)[C@H]2CCOC2)c1Br 2300172488 RLDOXHUFLHAWLG-CDUCUWFYSA-N 451.355 5.477 50 10 JKGE Cc1c(Br)sc([C@@H](Br)[C@@H]2CC[C@@H]3[C@H]2C3(F)F)c1Br 2308642628 KVXPCXVIFPYANX-JAKMQLQISA-N 464.995 6.309 50 10 JKGE CC(C)(C)OC(=O)N1C[C@H](I)[C@@H](OC[C@@H]2C[C@H]2C2CCCCCC2)C1 2311651244 KAGKVPIKJTURKY-XSLAGTTESA-N 463.400 5.032 50 10 JKGE Cc1ccc(Oc2nc3c(C)cccn3c(=O)c2C=C(C#N)C(=O)Nc2ccc(Cl)cc2)c(C)c1 2314532855 NLVKERUEKUZWCZ-UHFFFAOYSA-N 484.943 5.611 50 10 JKGE CC[C@@H](C)N1C(=O)C(=Cc2cn(-c3ccccc3)nc2-c2cc3ccccc3o2)C(C)=C(C#N)C1=O 2314610675 KXIWHPAHSMIGBQ-GOSISDBHSA-N 476.536 5.676 50 10 JKGE Cn1nc(Br)c(Br)c1[C@@H](Br)c1cc(Cl)ccc1Cl 2316725043 NQALPCRJKRHVMJ-QMMMGPOBSA-N 477.809 5.736 50 10 JKGE Cc1cc(Br)c(F)c(Br)c1[C@H](Br)CCCC(F)F 2317424005 NUMWQQWVHBEPQU-SSDOTTSWSA-N 452.934 6.531 50 10 JKGE Cc1c(Br)sc([C@H](Br)[C@@H]2CC[C@@H]2C(C)(C)C)c1Br 2320101154 MLSLVCZDMKUPTG-WCABBAIRSA-N 459.085 7.090 50 10 JKGE CC1(C)CN(Cc2ccc(I)c(Br)c2)CC[C@@H]1Br 2325211611 KINXLQZQRFHFKI-ZDUSSCGKSA-N 487.017 5.049 50 10 JKGE O=C(c1cc(Br)sc1Br)N1CC[C@H]2CC[C@@H](Br)[C@@H]1C2 2330967386 UPICBLNXVSEEJJ-QNSHHTMESA-N 472.040 5.051 50 10 JKGE COc1c(Br)cc(Br)cc1C=C(C#N)S(=O)(=O)c1ccc(Cl)cc1 2331030599 NNHOBYMKDCUXDX-UHFFFAOYSA-N 491.588 5.212 50 10 JKGE COc1cc(C=C(C#N)c2ncccc2[N+](=O)[O-])ccc1OCc1ccc(Cl)cc1Cl 2331059442 BLOJHCDSUYGOCD-UHFFFAOYSA-N 456.285 5.948 50 10 JKGE CCc1ccc(-c2csc(C(C#N)=C(O)Cc3ccc(OCc4ccccc4)cc3)n2)cc1 2331245011 MJHURZSHKQJCCQ-UHFFFAOYSA-N 452.579 6.987 50 10 JKGE COc1ccc(-c2csc(C(C#N)=C(O)[C@@H]3CC(=O)N(c4cc(Cl)ccc4OC)C3)n2)cc1C 2331259278 KBGCICDJFFLRPD-MRXNPFEDSA-N 495.988 5.635 50 10 JKGE COc1ccc(OCC(O)=C(C#N)c2nc(-c3ccc(Cl)c(Cl)c3)cs2)c(C(C)(C)C)c1 2331311782 XQGWPLSCLSANNF-UHFFFAOYSA-N 489.424 7.295 50 10 JKGE CCOc1ccc(CCC(O)=C(C#N)c2nc(-c3cc(C)c(OC)cc3C)cs2)cc1OC 2331403767 IFUGQJWANFYDPF-UHFFFAOYSA-N 464.587 6.268 50 10 JKGE CCCCc1ccc(-c2csc(C(C#N)=Cc3ccc(OCCc4ccccc4)c(OC)c3)n2)cc1 2331429472 ZBTCQSSIMFSFHA-UHFFFAOYSA-N 494.660 7.847 50 10 JKGE COc1cc(OC)c(-c2csc(C(C#N)=Cc3ccc(Cl)c([N+](=O)[O-])c3)n2)cc1Cl 2331472430 SCFYAOKYIUMEKR-UHFFFAOYSA-N 462.314 6.106 50 10 JKGE Cn1cc([C@@H](Br)c2c(F)cc(Cl)c(Br)c2Cl)nc1Br 2335372984 BNHGZGPWNJSWAU-SECBINFHSA-N 495.799 5.875 50 10 JKGE Cn1cnc2sc([C@H](Br)c3ccc(OCc4ccccc4)cc3Br)cc21 2336041579 PCDXHWJTWQLROC-LJQANCHMSA-N 492.236 6.461 50 10 JKGE C[C@@H]1O[C@H](C)C[C@@H]1[C@@H](Br)c1c(Cl)cc(Br)c(F)c1Br 2337083313 XUSFTFZHNCTSEB-WAYXCLAOSA-N 479.409 6.254 50 10 JKGE O=S1(=O)CCC[C@@H]1[C@H](Br)c1c(Cl)cc(Br)c(F)c1Br 2337096431 HHEYENXTDXLLIG-APPZFPTMSA-N 499.421 5.017 50 10 JKGE Cc1cc(Br)c(F)c(Br)c1[C@H](Br)[C@H]1C[C@H]2CC[C@H]1O2 2339652295 XYQVRKXNFIXOHC-UJYYTQATSA-N 456.975 5.663 50 10 JKGE Cc1cc(Br)c(F)c(Br)c1[C@H](Br)[C@@H]1C[C@@H]2CCC[C@H]21 2339654665 UHHVNPHKAUKCJB-DCJFZGGZSA-N 455.003 6.531 50 10 JKGE COc1c(Br)cc(C)c([C@@H](Br)[C@@H](F)C(F)(F)F)c1Br 2339655106 CODCFCVGRMOBMO-PSASIEDQSA-N 472.896 5.865 50 10 JKGE COc1c(Br)cc(C)c([C@H](Br)[C@@]2(C)CC2(C)C)c1Br 2339689094 BZPLFGFSNUPWGD-DZGCQCFKSA-N 455.028 6.401 50 10 JKGE ClC[C@H](CC1CCCC1)NCc1ccc(I)c(Br)c1 2349840637 FIOPYEBJSAYEIO-ZDUSSCGKSA-N 456.593 5.331 50 10 JKGE Fc1cc(Cl)c(Br)c(Cl)c1[C@H](Br)[C@]12COC[C@@H]1C2(F)F 2360484693 UVJRDOHHLVTNAV-CYUDJLOBSA-N 454.895 5.613 50 10 JKGE CC(C)[C@@H]1CCC[C@H]1[C@H](Br)c1c(Cl)cc(Br)c(F)c1Br 2362228184 MRIOZROWXWJADN-RWEMILLDSA-N 491.464 7.512 50 10 JKGE COc1cc(Cl)c(Cl)cc1[C@@H](Cl)c1c(Br)c(Br)nn1C 2364234828 LWKWHDGNQRSVKV-SNVBAGLBSA-N 463.384 5.589 50 10 JKGE COc1c(Br)cc(C)c([C@H](Br)C23COC(C)(C2)C3)c1Br 2365215273 IOJUYJHAGGTVJY-NFOMZHRRSA-N 469.011 5.534 50 10 JKGE CN(Cc1c(Br)cccc1Br)c1c(Cl)cccc1CBr 2366161854 QFVANGIRSALTGG-UHFFFAOYSA-N 482.441 6.396 50 10 JKGE FC1(F)[C@H]2C[C@H](CO[C@@H](CI)c3ccc(Br)cc3)C[C@H]21 2369978333 QIHWCUSTIMGENQ-WTDIUWLJSA-N 457.096 5.233 50 10 JKGE FC(F)(F)[C@@H]1C[C@@H](Cl)CCN1Cc1ccc(I)c(Br)c1 2377327956 XVZPTGJFXJGWTE-CABZTGNLSA-N 482.509 5.188 50 10 JKGE COc1c(Br)cc(C)c([C@@H](Br)[C@@H]2O[C@H]3CC[C@H]2C3)c1Br 2380648520 QHUZJDYXCRREHU-ONVGCPIPSA-N 469.011 5.532 50 10 JKGE CCc1cc(Br)c(OC)c([C@@H](Br)c2cc(Br)sc2C)c1 2381258541 SJHGREFJKNVOTB-AWEZNQCLSA-N 483.063 6.637 50 10 JKGE Cc1cc([C@H]2C(C#N)=C(N)N(c3cccc(Cl)c3C)C3=C2C(=O)CC(C)(C)C3)c(C)s1 9982266 QQECPJGBKLQNBW-QFIPXVFZSA-N 452.023 6.268 50 10 JKGE Cc1ccc(N2C(=O)[C@@H](Cc3cccc(Cl)c3)S/C2=C(\C#N)C(=O)NCc2ccccc2)cc1 16739744 GBRMGPJFCNTXRK-GUNDDFSMSA-N 488.012 5.391 50 10 JKGE Cc1cc(OC(C)(C)C(=O)NN=Cc2cn(Cc3ccccc3)c3ccccc23)ccc1Cl 20562679 VTKKLVJQIFZNIR-UHFFFAOYSA-N 459.977 5.959 50 10 JKGE CCCOc1ccc(/C=C\C(=O)Oc2ccc(/C=C(\C#N)c3ccc(Cl)cc3)cc2OC)cc1 33745779 WFCFCVWDWSCINX-XRGNRTFSSA-N 473.956 6.820 50 10 JKGE CC(C)COc1ccc(C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@H]3c2ccc(C(C)C)cc2)cc1 38649547 BBRQXIGQMCDRPH-NDEPHWFRSA-N 482.580 6.282 50 10 JKGE CCCOc1ccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)COc4ccc(Cl)cc4)ccc32)cc1 38650609 WKAJTGSUDIOSDO-AREMUKBSSA-N 490.943 5.331 50 10 JKGE CCc1ccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4cc(Cl)c(OC)c(Cl)c4)ccc32)cc1 38700445 GKJBTYKNRKCOFE-HSZRJFAPSA-N 495.362 6.002 50 10 JKGE N#C/C(=C/c1c(Oc2ccccc2Cl)nc2ccccn2c1=O)C(=O)Nc1cccc(Cl)c1 39858665 GDOUHHPGXAWKES-QINSGFPZSA-N 477.307 5.339 50 10 JKGE Cc1c(C(=O)Nc2cc(Cl)ccc2Cl)oc2c1/C(=N/NC(=O)c1ccccc1Cl)CCC2 40812687 UQPXEIQDWXWZMT-OGLMXYFKSA-N 490.774 6.271 50 10 JKGE Cc1ccc2cccc(OC(=O)c3oc4c(c3C)/C(=N/NC(=O)c3ccccc3Cl)CCC4)c2n1 40812742 CFEAUDDUQHODBY-TWKHWXDSSA-N 487.943 5.788 50 10 JKGE Cc1c(C(=O)Nc2ccc(Cl)cc2Cl)oc2c1/C(=N/NC(=O)COc1ccccc1)CCC2 40815965 FWYBBDDSXHBWSU-TURZUDJPSA-N 486.355 5.383 50 10 JKGE Cc1c(C(=O)Nc2ccc(F)cc2F)oc2c1/C(=N/NC(=O)c1ccc3ccccc3n1)CCC2 40825936 WZRCDEQGFKKOEU-AJBULDERSA-N 474.467 5.137 50 10 JKGE N#C/C(=C\c1ccc(OCc2ccccc2)cc1)c1csc(-c2cc3ccccc3oc2=O)n1 97340828 QNVANNZXDVVNSF-HYARGMPZSA-N 462.530 6.560 50 10 JKGE Brc1ccc(O[C@H]2C[C@H](Br)C23CCCCC3)c(Br)c1 97647336 JEZCSLZDOBAGOQ-KBPBESRZSA-N 453.012 6.077 50 10 JKGE CCCC[C@H](CC)CN(C(=O)CCl)[C@H](C(=O)N[C@@H]1CCCC[C@@H]1C)c1ccc(Cl)cc1 97914241 NGFWIFRHMBNPQN-ZFMISHDWSA-N 469.497 6.360 50 10 JKGE Cc1ccccc1[C@H](C(=O)NC1CCCCC1)N(CCc1ccc(Cl)cc1)C(=O)CCl 97914458 ICOGWDMAPJVXRY-XMMPIXPASA-N 461.433 5.449 50 10 JKGE O=C(O[P+](c1ccccc1)(c1ccccc1)c1ccccc1)c1ccc(Br)cc1 103550826 RTRMJWGZOLHVTP-UHFFFAOYSA-N 462.303 5.515 50 10 JKGE Cc1ccc(NC(=O)/C(C#N)=C2/S[C@@H](Cc3ccccc3C)C(=O)N2c2ccc(Cl)cc2)cc1 103742350 GBTSLOAKFWVWSE-BSSRNLCFSA-N 488.012 6.022 50 10 JKGE O=Cc1cccc(/C=C/c2cccc(C[P+](c3ccccc3)(c3ccccc3)c3ccccc3)c2)n1 105799928 PWOJWULLORRUKH-GHVJWSGMSA-N 484.559 6.559 50 10 JKGE COc1cc(Cl)c([C@H](Br)c2cc(Br)ccc2Cl)cc1OC 109866701 QDSBWJGFFDYHSQ-OAHLLOKOSA-N 454.973 6.257 50 10 JKGE Cc1cc(F)cc([C@@H](Br)c2cc(Br)c(C)cc2Br)c1 136947104 KFOWZAPYJSVQEY-OAHLLOKOSA-N 450.971 6.452 50 10 JKGE CCc1cccc(C)c1N/C=C(/C#N)C(=O)N1CCN(C(c2ccccc2)c2ccccc2)CC1 216492407 ZIGPRBMPQDJYRS-QYQHSDTDSA-N 464.613 5.311 50 10 JKGE Cc1cccc(N2CCN(/C=C(/C#N)C(=O)Nc3ccc(Cl)c(C(F)(F)F)c3)CC2)c1C 217250483 GZAZBLXHERXAMJ-VKAVYKQESA-N 462.903 5.144 50 10 JKGE COc1cc(Br)ccc1[C@H](Br)c1cc(Br)c(Cl)s1 227845620 JFOBGURQJFBHDG-NSHDSACASA-N 475.427 6.419 50 10 JKGE Fc1ccc(Br)cc1[C@H](Br)c1cc(Br)c(Cl)s1 227847718 MRIJNLXITQQETM-JTQLQIEISA-N 463.391 6.550 50 10 JKGE Clc1c(Br)cccc1[C@H](Cl)c1cc(Br)sc1Br 228451398 ISFSSJHGDWXXEA-VIFPVBQESA-N 479.846 7.017 50 10 JKGE COc1ccc(C[C@@H](Br)c2cc(Cl)ccc2I)cc1 234962295 OJHKNQGJNFDIJW-CQSZACIVSA-N 451.529 5.632 50 10 JKGE Cc1ccc(C)c([C@H](Br)c2cc(Br)ccc2I)c1 235879732 MWJARUOMADRASJ-HNNXBMFYSA-N 479.981 6.155 50 10 JKGE O=C(NN=Cc1c(O)c(I)cc2oc3c(c12)CCCC3)c1ccccc1Cl 252600268 DQCMQNVSLISZKA-UHFFFAOYSA-N 494.716 5.039 50 10 JKGE O=C(NN=Cc1c(O)ccc2ccccc12)/C(=C\c1cccs1)NC(=O)c1ccccc1Cl 252607363 HBKJSGCWJDEUIZ-BTJFMGARSA-N 475.957 5.182 50 10 JKGE O=C(CCCCCCCCC(=O)NN=C/C=C/c1ccccc1)NN=C/C=C/c1ccccc1 254301831 IBOICUQGFBVZEM-UZAUTYSFSA-N 458.606 5.738 50 10 JKGE C=CCc1ccccc1OCC(=O)NN=Cc1ccc(OC(=O)c2cccc3ccccc23)cc1 254400402 LVHHZBBXJADDRI-UHFFFAOYSA-N 464.521 5.317 50 10 JKGE CCCc1cc(C(=O)NN=Cc2cn(Cc3cccc(C(F)(F)F)c3)c3ccccc23)cs1 254717084 WZFIZNSJQMJQED-UHFFFAOYSA-N 469.532 6.486 50 10 JKGE CCOC(=O)c1c(NC(=O)NN=Cc2cccc(OCc3ccccc3)c2)sc(C(C)=O)c1C 256017559 SMCKTDGOBFVMOS-UHFFFAOYSA-N 479.558 5.170 50 10 JKGE C[C@@H](CCn1c(CCl)nc2cc(I)c(F)cc21)N(C)Cc1ccccc1 379606968 DMTKXZUHASXJLV-AWEZNQCLSA-N 485.772 5.429 50 10 JKGE C[C@H]1CN(Cc2ccccc2)C[C@@H]1n1c(CCl)nc2cc(I)ccc21 389849439 TYJNWGPXSRIDKF-LIRRHRJNSA-N 465.766 5.073 50 10 JKGE Cc1ccc(C(CBr)(CBr)Cc2ccc(Br)o2)cc1 394265743 PULKNDIFAXINAU-UHFFFAOYSA-N 450.996 5.621 50 10 JKGE Clc1cc([C@@H](Cl)c2cccc(Br)c2Cl)c(Cl)c(Cl)c1Cl 404886105 UKUPPJJOMNSWOU-VIFPVBQESA-N 453.805 8.044 50 10 JKGE N=C(O)O[C@H](CCCCCCCCCCCC(=O)Cl)C1c2ccccc2-c2ccccc21 585665557 YJRHBUNNBHUGLX-XMMPIXPASA-N 456.026 7.733 50 10 JKGE CC(C)(C)OC(=O)N1CCCC[C@@H]1[C@@H]1CCC[C@]12CC[C@](C)(CI)O2 686241387 BKAMHSGHOUQBLU-FIYPYCPBSA-N 463.400 5.319 50 10 JKGE Fc1cccc(-n2c(CCl)nc3cccc(Br)c32)c1I 697735236 JJPMMHDEZPSLQN-UHFFFAOYSA-N 465.491 5.271 50 10 JKGE C[C@@H](Br)C[C@@H]1CCCN1C(=O)c1scc(Br)c1Br 705408002 DXGFWFQKOHCWAK-SFYZADRCSA-N 460.029 5.051 50 10 JKGE Brc1csc([C@@H](Br)c2cccc3ccccc23)c1Br 705469129 WAWLBLBHFCLOGZ-ZDUSSCGKSA-N 461.016 6.911 50 10 JKGE Brc1ccc(I)cc1[C@@H](Br)c1ccc(C2CC2)s1 707930476 NIMZGDRTWIXBSY-CQSZACIVSA-N 498.021 6.477 50 10 JKGE Cc1c(C=NNC(=O)CC[C@H](O)c2ccccc2)c2ccccc2n1Cc1ccccc1Cl 1083921019 VGOPVJYGCBMQMT-SANMLTNESA-N 459.977 5.615 50 10 JKGE CCOC(=O)c1ccc(-c2ccc(C=NNC(=O)c3cc4cc(Br)ccc4o3)o2)cc1 1083977231 BQYSECXWFYLIQP-UHFFFAOYSA-N 481.302 5.396 50 10 JKGE Cc1ccc(C=NNC(=O)c2ccc(CN(c3cccc(Cl)c3Cl)S(C)(=O)=O)cc2)cc1 1084569633 JWNHCRPJUALEFJ-UHFFFAOYSA-N 490.412 5.032 50 10 JKGE Cc1ccc(NC(=O)/C(C#N)=C\c2cc(Cl)ccc2OCc2ccc(Br)cc2)c(C)c1 1084618346 PUWZBRDDRODLMK-NDENLUEZSA-N 495.804 6.844 50 10 JKGE COc1ccc(OCCCC(=O)Oc2ccc(/C=C(\C#N)c3ccccc3OC)cc2OC)cc1 1615066151 WNSXKAWUVHBERX-HEHNFIMWSA-N 473.525 5.541 50 10 JKGE Cc1ccc(Cn2nc(C(F)(F)F)c3c2OC(N)=C(C#N)[C@@H]3c2cccc3ccccc23)cc1 1865682296 LJYXYGSENGWCNR-NRFANRHFSA-N 460.459 5.630 50 10 JKGE Cc1ccc(Cn2nc(C(F)(F)F)c3c2OC(N)=C(C#N)[C@@H]3c2ccc(Cl)c(Cl)c2)cc1 1865685256 HGNWIXRYGDXUTH-KRWDZBQOSA-N 479.289 5.784 50 10 JKGE Cc1nn(Cc2ccccc2)c2c1[C@@H](c1ccc(OCc3ccc(Cl)cc3)cc1)C(C#N)=C(N)O2 1865694921 FORBOWZSBNTLGV-SANMLTNESA-N 482.971 5.690 50 10 JKGE CCCCCOc1ccc([C@@H]2C(C#N)=C(N)Oc3c2c(CC)nn3Cc2ccc(C)cc2)cc1OC 1865696466 NJYQPLKMKCXDNN-AREMUKBSSA-N 486.616 5.598 50 10 JKGE Cc1ccc(Cn2nc(-c3ccccc3)c3c2OC(N)=C(C#N)[C@H]3c2ccc(C(F)(F)F)cc2)cc1 1865711428 YFTMOSZFZPHOQM-HSZRJFAPSA-N 486.497 6.144 50 10 JKGE COc1ccc(-c2csc(/C(C#N)=C(O)/C=C/c3ccc(OCc4ccccc4)cc3)n2)cc1OC 1872745599 VDADMYPYBGBSSA-MFEYTRKPSA-N 496.588 6.912 50 10 JKGE CCCCOc1ccc(/C(O)=C(\C#N)c2nc(-c3ccccc3OC)cs2)cc1OCC 1872747195 RGHVKULQSKRDHO-CLCOLTQESA-N 450.560 6.346 50 10 JKGE Cc1cc(-c2csc(/C(C#N)=C(\O)c3ccc4c(c3)C(=O)N(CC(C)C)C4=O)n2)ccc1F 1872749776 IDEZPYVYXAPGME-QOCHGBHMSA-N 461.518 5.460 50 10 JKGE COc1ccc(C(C)(C)C)cc1-c1csc(/C(C#N)=C(\O)[C@@H]2CC(=O)N(Cc3ccccc3)C2)n1 1872751550 MWJSEKFVPTXTPS-JEOADQEBSA-N 487.625 5.958 50 10 JKGE CCCCCCCOc1ccc(-c2csc(/C(C#N)=C(O)/C=C\c3ccc(Cl)cc3)n2)cc1 1872753136 IOPHAGYXTLSMDY-ONNAXBCLSA-N 479.045 8.319 50 10 JKGE COc1c(Cl)ccc(Cl)c1/C(O)=C(\C#N)c1nc(-c2c(C)c(C)cc(C)c2C)cs1 1872754100 CBGLEDDBBINIJV-QNGOZBTKSA-N 459.398 7.309 50 10 JKGE N#C/C(=C\c1ccc(OCc2ccc(Cl)cc2Cl)cc1)c1nc(-c2ccccc2Cl)cs1 1872780519 BUHBKCIOLGGEOC-WOJGMQOQSA-N 497.834 8.413 50 10 JKGE CCOc1cc(/C=C(\C#N)c2nc(-c3ccc(OC)c(F)c3)cs2)ccc1OCc1ccccc1 1872792049 BJBRRIJQWDQPIB-LPYMAVHISA-N 486.568 7.000 50 10 JKGE COc1ccc(Cl)cc1-c1csc(/C(C#N)=C/c2cccc(OCc3ccccc3)c2)n1 1872794923 DOJNBGYMHGJXJQ-UDWIEESQSA-N 458.970 7.115 50 10 JKGE C[C@H](CBr)N(Cc1ccccc1)S(=O)(=O)c1ccc(Cl)c(F)c1Cl 1914340630 AHYMJASSQSNRBV-LLVKDONJSA-N 455.176 5.107 50 10 JKGE CC(C)[C@@H](CBr)N(Cc1ccccc1)C(=O)c1cc(C(F)(F)F)ccc1Cl 1915267398 HAVGHETVSRDJAJ-GOSISDBHSA-N 462.737 6.421 50 10 JKGE Cc1cc(Br)c([C@@H](Cl)c2cc(C)c(Br)o2)cc1Br 1917591808 MFYYOSBGRAVJLZ-GFCCVEGCSA-N 457.387 6.512 50 10 JKGE O=S1(=O)CCC[C@H]([C@H](Cl)c2c(Br)sc(Br)c2Cl)C1 1923049111 KVZVSDZSYQNCEI-FSPLSTOPSA-N 457.036 5.031 50 10 JKGE CC1(C)C[C@@H]1CC[C@@H](Br)c1c(Br)sc(Br)c1Cl 1923066023 KRVDFBBFDAWCHY-NKWVEPMBSA-N 465.476 7.189 50 10 JKGE CC1(C)CC[C@H](Br)[C@H](CNC(=O)c2csc(Br)c2Br)C1 1927069571 SZFDHQSXBXUTEZ-WPRPVWTQSA-N 488.083 5.593 50 10 JKGE Cc1sc(Br)c(C(=O)N(Cc2ccccc2)C(C)(C)CBr)c1C 1939962398 LEXBWAMTFOWPBT-UHFFFAOYSA-N 459.247 5.943 50 10 JKGE Cl[C@H](CC1C[C@H]2C[C@@H]2C1)c1c(Br)sc(Br)c1Br 1950081222 QWKIQLLUNWCXHI-BIIVOSGPSA-N 463.460 6.752 50 10 JKGE CC1(C)CC[C@@H](Br)CN1C(=O)c1csc(Br)c1Br 2038511615 OHSMBYWLDBBFKK-SSDOTTSWSA-N 460.029 5.051 50 10 JKGE Cc1c(Br)sc([C@H](Br)C23CC(C)(C2)O[C@H]3C)c1Br 2038995706 DKOVJGZYMMMKMM-MUHGULJASA-N 459.041 5.975 50 10 JKGE COc1c(Br)cc(C)cc1[C@@H](Br)c1cscc1Br 2083455741 KZGKJQCDEARKQM-GFCCVEGCSA-N 455.009 6.074 50 10 JKGE C[C@@H](Br)C[C@H]1CCCCN1Cc1cccc(Br)c1Br 2092338953 YWLNRKHSRGJZHD-DGCLKSJQSA-N 454.044 5.740 50 10 JKGE CN(c1ccc(CBr)cc1Br)C1C[C@@H]2CC[C@H](C1)N2Cc1ccccc1 2094893895 FFLNYWHFDSTDHD-YOFSQIOKSA-N 478.272 5.976 50 10 JKGE CC(C)(CBr)[C@@H]1CCCN1C(=O)c1cc(Br)c(Br)s1 2099631118 PVZCNSMPVVQJDL-JTQLQIEISA-N 474.056 5.299 50 10 JKGE Cc1sc(Br)c([C@H](Br)c2cc(C3CC3)c(Br)s2)c1C 2101012975 XRKINCFUBCTDSR-GFCCVEGCSA-N 485.104 7.313 50 10 JKGE Fc1cccc(CC[C@@H](Br)c2cccc(Br)c2)c1Br 2113489132 LKDSANIXKLFGPH-CYBMUJFWSA-N 450.971 6.420 50 10 JKGE Cc1cc(Br)c(CBr)c(N(C)Cc2csc(Br)c2)c1 2116804853 YEJGFLCYBJCARE-UHFFFAOYSA-N 468.052 6.113 50 10 JKGE Brc1ccc(Br)c(CN2[C@H]3CCC[C@@H](Br)[C@H]2CC3)c1 2118530809 GNUSTKDBGNQQHO-NWANDNLSSA-N 452.028 5.492 50 10 JKGE BrCc1cc(Br)cc(Br)c1OCC12CC(CCO1)C2 2122894105 GPNHNCWHQOKZEJ-UHFFFAOYSA-N 454.984 5.054 50 10 JKGE COc1cc(Cl)c([C@H](Br)c2cnn(C)c2Br)cc1Br 2137646023 BYVDYBHUEUCOBX-NSHDSACASA-N 473.390 5.091 50 10 JKGE FC1(F)[C@@H]([C@H](Br)c2ccc(Br)cc2Br)C12CCCC2 2138864215 NYJMKYFKRJNAKE-NEPJUHHUSA-N 458.966 6.473 50 10 JKGE Fc1cccc([C@@H](CBr)Cc2ccc(I)c(Cl)c2)c1 2142939886 KAQJZRLQVOIFJF-GFCCVEGCSA-N 453.520 5.805 50 10 JKGE BrCc1cc(Br)c(OC[C@@H]2OCCC23CCC3)c(Br)c1 2145193753 QZNIDVRLTCZKHP-ZDUSSCGKSA-N 469.011 5.445 50 10 JKGE Fc1cc2nc(CCCl)n(C3(CCOCc4ccccc4)CC3)c2cc1Br 2146505411 GPYVNAIFVVGTTN-UHFFFAOYSA-N 451.767 5.815 50 10 JKGE Fc1ccc(N2CC[C@@H]3CCN(Cc4ccccc4)C[C@H]3C2)c(CBr)c1Cl 2148939752 VAIRPDXMKQXYSH-ROUUACIJSA-N 451.811 5.722 50 10 JKGE CC(C)(C)[C@]1(CBr)CCN(C(=O)c2cc(Br)sc2Br)C1 2160942625 SANJJOPHIFTMBQ-AWEZNQCLSA-N 488.083 5.546 50 10 JKGE C[C@]12CN(Cc3ccccc3)C[C@]1(C)CN(c1cc(Br)cc(F)c1CCl)C2 2170686290 WDPUJQMFTXBMTO-FGZHOGPDSA-N 451.811 5.675 50 10 JKGE Fc1cc(Br)c([C@@H](Br)c2cc(Cl)ccc2Cl)c(F)c1Cl 2201618798 LERGOKAYVVHCGQ-NSHDSACASA-N 465.346 7.172 50 10 JKGE COc1cc(F)c([C@H](Cl)c2cc(Br)ccc2Br)cc1Br 2202901714 GKLVZDHTCRZYPH-CQSZACIVSA-N 487.388 6.450 50 10 JKGE COc1ccc([C@H](Br)c2cccc(C)c2I)c(Cl)c1Cl 2203432959 KVKPGNODMXDDOS-LBPRGKRZSA-N 485.974 6.399 50 10 JKGE Clc1cc2c(c([C@@H](Cl)c3ccc(Br)cc3I)c1)OCC2 2207273105 ROZWJPCKPJSEOM-AWEZNQCLSA-N 483.958 5.970 50 10 JKGE Clc1ccc(C(CBr)(CBr)Cc2nscc2Br)cc1 2227090964 DYTQOSIMKCRTFA-UHFFFAOYSA-N 488.470 5.829 50 10 JKGE COc1csc([C@@H](Br)c2c(Br)cc(C)c(Br)c2C)c1 2227353134 SAFSWMNKUNMBBM-CQSZACIVSA-N 469.036 6.383 50 10 JKGE CO[C@@H]1CC[C@@H]1C[C@H](Br)c1c(Br)cc(C)c(Br)c1C 2227355270 MMSPWPIMGPLAIX-KGYLQXTDSA-N 455.028 6.080 50 10 JKGE CCc1nc([C@@H](Br)Cc2ccc(Br)cc2Cl)c(Br)s1 2229141739 SXCKKPQQUUZWKU-VIFPVBQESA-N 488.470 6.563 50 10 JKGE FC(F)(F)[C@@H]1CCO[C@@H]1[C@@H](Br)c1cc(Br)ccc1Br 2231815536 XIXPOXKCBSQZBX-MIMYLULJSA-N 466.917 5.615 50 10 JKGE Clc1ccc(Br)cc1[C@@H](Cl)c1c(Br)cc(Cl)c(Cl)c1Cl 2232509366 COEMKVPAQUXTCH-LLVKDONJSA-N 498.256 8.153 50 10 JKGE Clc1cc(Br)c([C@H](Br)C2[C@H]3CCCCC[C@H]23)c(Cl)c1Cl 2232509634 DTCQPGSUKCASDI-UVPNAGLESA-N 461.452 7.672 50 10 JKGE Cc1cc([C@@H](Br)c2c(Br)cc(Cl)c(Cl)c2Cl)ccc1Cl 2232512369 NQVBMRSZFIAELI-GFCCVEGCSA-N 477.838 7.855 50 10 JKGE C[C@@H]1CC([C@@H](Br)c2c(Br)cc(Cl)c(Cl)c2Cl)C[C@@H](C)O1 2232521903 VXPMRKBYPAYMGI-NQYJQULFSA-N 465.440 7.049 50 10 JKGE CC1(C)C[C@@H]([C@@H](Br)c2cc(Br)c(Br)cc2F)C(C)(C)O1 2233974344 FAYYWJMURSASIU-ZANVPECISA-N 473.018 6.380 50 10 JKGE FC(F)[C@@H]1CCC[C@@H]1[C@H](Br)c1cc(Br)c(Br)s1 2249240257 VBDDYFFQRIOURZ-MYINAIGISA-N 452.984 6.391 50 10 JKGE CCn1ncc(Br)c1[C@H](Br)c1sc(C)c(C)c1Br 2253475205 VHSXYHUJLNCAFN-JTQLQIEISA-N 457.029 5.591 50 10 JKGE CCc1cc([C@@H](Br)c2ccc(Cl)cc2Br)sc1Br 2255989401 SPDVCTZBTGHHPC-LBPRGKRZSA-N 473.455 6.973 50 10 JKGE COc1c(Br)cc(Cl)cc1[C@H](Br)c1cc(Br)sn1 2263539036 QMIQFZPLPVXEKU-JTQLQIEISA-N 476.415 5.814 50 10 JKGE Cc1cc(Br)c([C@H](Br)c2cc(Br)n(C)n2)c(C)c1F 2264476579 PXMSZXUVHLULKQ-GFCCVEGCSA-N 454.963 5.185 50 10 JKGE CCCOC1([C@H](Br)c2c(F)cc(Br)c(F)c2Br)CC1 2272736230 XFHHPPXZBXIRKY-GFCCVEGCSA-N 462.954 5.885 50 10 JKGE Cc1ccc([C@H](Br)Cc2cc(Br)cc(Br)c2)cc1Cl 2277959563 AARWQUMMDMIKIX-CQSZACIVSA-N 467.426 6.852 50 10 JKGE COc1c(Br)cc(Cl)cc1[C@@H](Br)c1cc(C)sc1Br 2277974081 FXVNRCKYEKMOSN-LLVKDONJSA-N 489.454 6.728 50 10 JKGE COc1cc(Cl)c(Cl)cc1[C@@H](Cl)c1cc(Cl)ccc1I 2279060202 RDYZHGSFLXAYAZ-AWEZNQCLSA-N 461.941 6.588 50 10 JKGE Cc1sc([C@@H](Br)c2cc(Br)cc(C(C)C)c2)c(Br)c1C 2280667030 CFTBIZSPNGZVIW-HNNXBMFYSA-N 481.091 7.498 50 10 JKGE COc1ccc([C@@H](Br)c2cccc(Cl)c2Cl)c(Br)c1Cl 2283561552 HEUKBMHIUKUENX-LLVKDONJSA-N 459.392 6.902 50 10 JKGE CCc1ccc([C@H](Br)c2ccc(Cl)c(I)c2)cc1CC 2283574661 PZICMLDBTRUWSZ-KRWDZBQOSA-N 463.584 6.554 50 10 JKGE COc1ccc([C@@H](Cl)c2sc(Br)cc2Br)c(Cl)c1OC 2283586965 NUSASZZJTPHNCI-LLVKDONJSA-N 461.002 6.272 50 10 JKGE COc1cccc(C=C(C#N)c2nc3ccccc3s2)c1OCc1c(F)cccc1Cl 2293128287 GPUIKWWTRYMJDW-UHFFFAOYSA-N 450.922 6.741 50 10 JKGE COc1cc(OC)c([C@H](Cl)c2cccc(I)c2)cc1Br 2295425882 LUWKRWGSJLJILF-OAHLLOKOSA-N 467.528 5.399 50 10 JKGE C=CCOc1ccc(Br)cc1C=C(C#N)C(=O)Nc1ccccc1C(F)(F)F 2295459652 JTNLPIGYMSOYBG-UHFFFAOYSA-N 451.242 5.578 50 10 JKGE CCOC(=O)c1c(-c2ccc(F)cc2)csc1NC(=O)C(C#N)=Cc1ccc(Cl)cc1Cl 2296500308 DDMOOPDMOXBPPY-UHFFFAOYSA-N 489.355 6.583 50 10 JKGE COC(=O)c1c(NC(=O)C(C#N)=Cc2ccc(-c3ccc(F)cc3)o2)sc2c1CCCC2 2296818104 KSIKMKIFXKBCQS-UHFFFAOYSA-N 450.491 5.358 50 10 JKGE Cc1cc(C)c(NC(SCc2ccccc2C)=C(C#N)S(=O)(=O)c2ccccc2)c(C)c1 2297350158 DGQJGPXNEDAODQ-UHFFFAOYSA-N 462.640 6.432 50 10 JKGE CC1(C)CCC[C@H]1[C@H](Br)c1ccc(OCc2ccccc2)cc1Br 2299498198 UDSQSTQMADZMPL-AZUAARDMSA-N 452.230 7.290 50 10 JKGE COCCC1([C@@H](Br)c2cc(Br)ccc2OCc2ccccc2)CC1 2299504579 OKUUWRRFWYVBPV-IBGZPJMESA-N 454.202 6.281 50 10 JKGE CCC(CC)(CBr)COc1cc(Br)cc(I)c1 2301038673 BNWFOAVYWNRHQC-UHFFFAOYSA-N 475.990 5.634 50 10 JKGE Cc1cc(C=C(C#N)C(=O)N2CCN(c3ccccc3)CC2)c(C)n1-c1ccc(-c2ccccc2)cc1 2313545779 FBTQTXZHDIHKNL-UHFFFAOYSA-N 486.619 6.017 50 10 JKGE N#CC(=Cc1cccc(OC(=O)c2ccc(Cl)cc2)c1)C(=O)Nc1cc(Cl)ccc1Cl 2313631286 NNOTXKDHFWHWPK-UHFFFAOYSA-N 471.727 6.412 50 10 JKGE CCc1ccccc1NC(=O)C(C#N)=Cc1ccc(OCc2ccc(Cl)c(Cl)c2)cc1 2313681045 AMFXSOKEKZRTFT-UHFFFAOYSA-N 451.353 6.680 50 10 JKGE C[C@H]1C[C@@H]([C@H](Br)c2cc(Br)ccc2OCc2ccccc2)C[C@@H](C)O1 2314496972 GSNQQTQRJDEXAM-GAPZROTKSA-N 468.229 6.668 50 10 JKGE N#CC1=C(N)Oc2cc(OC(=O)C=Cc3ccccc3)ccc2[C@H]1c1ccccc1Br 2314634494 ZPWQAHZHAUPIAO-XMMPIXPASA-N 473.326 5.286 50 10 JKGE COc1ccc([C@H](Cl)c2sc(Cl)cc2I)c(Br)c1 2316599726 VLIJPMMNEKHPRA-NSHDSACASA-N 477.976 6.105 50 10 JKGE COc1ccc(OCCCC(=O)Oc2ccc(C=C(C#N)c3cccc(Cl)c3)cc2OC)cc1 2318356381 YZLLUEVMNNKNRT-UHFFFAOYSA-N 477.944 6.186 50 10 JKGE Cc1nc(-c2ccc(Cl)c(Cl)c2)ccc1C(=O)NN=Cc1ccc(Br)cc1F 2321250772 XDRHBBUHPFDHNO-UHFFFAOYSA-N 481.152 6.029 50 10 JKGE CC(C)(C)OC(=O)N1CCC[C@@H](C(=O)NN=Cc2cccc(OCc3cccc(Cl)c3)c2)C1 2321721585 OPLNTSZJGRJGOW-HXUWFJFHSA-N 471.985 5.016 50 10 JKGE C[C@H]1CCCN(Cc2ccc(I)c(Br)c2)[C@H]1CBr 2325206166 BUQPCJKMZOEOOD-HZMBPMFUSA-N 487.017 5.049 50 10 JKGE COC(=O)c1c(NC(=O)C(C#N)=Cc2cccc(Br)c2)sc(C)c1-c1ccc(C)cc1 2329699387 OHMYOYRWKRUJMW-UHFFFAOYSA-N 495.398 6.127 50 10 JKGE COc1cc(C=C(C#N)c2ccc(C(=O)OC(C)C)o2)ccc1OCc1ccc(Cl)cc1 2331049787 VRWKWIKFQXVYPG-UHFFFAOYSA-N 451.906 6.150 50 10 JKGE N#CC(=C(O)c1cccc(Oc2ccccc2)c1)c1nc(-c2ccc3c(c2)CCCC3)cs1 2331240276 QDWVMGPKIIACKZ-UHFFFAOYSA-N 450.563 7.431 50 10 JKGE CCCCc1ccc(N2C[C@@H](C(O)=C(C#N)c3nc(-c4ccccc4OC)cs3)CC2=O)cc1 2331282004 RVVFQDZNUKSZLI-IBGZPJMESA-N 473.598 6.007 50 10 JKGE CCCOc1ccc(-c2csc(C(C#N)=C(O)CCCOc3ccccc3)n2)cc1OCCC 2331293563 ZIGMMZWUWLXXFF-UHFFFAOYSA-N 478.614 7.040 50 10 JKGE N#CC(=C(O)CCCOc1ccc(Cl)cc1Cl)c1nc(-c2cccc(Cl)c2)cs1 2331294432 SFVJFZRALWQMGU-UHFFFAOYSA-N 465.789 7.422 50 10 JKGE COc1ccc(OC)c(CC(O)=C(C#N)c2nc(-c3ccc(Oc4ccccc4)cc3)cs2)c1 2331358625 WKJBOLDKDYVUGY-UHFFFAOYSA-N 470.550 6.655 50 10 JKGE COc1cc(OC)c(-c2csc(C(C#N)=C(O)c3ccc(-n4cccc4)cc3)n2)cc1Cl 2331381151 PGVHMGFUEGNMQX-UHFFFAOYSA-N 463.946 6.221 50 10 JKGE COc1cc(C)c(-c2csc(C(C#N)=C(O)c3c(Cl)ccc(Cl)c3OC)n2)cc1C 2331402992 OJPUHBKSCBWMBU-UHFFFAOYSA-N 461.370 6.701 50 10 JKGE CCCCc1ccc(-c2csc(C(C#N)=Cc3cc(Br)cc(OC)c3O)n2)cc1 2331429345 PXHYLQXBKBMWCD-UHFFFAOYSA-N 469.404 6.694 50 10 JKGE N#CC(=Cc1ccc(OC(=O)c2ccccc2)cc1)c1nc(-c2ccc(Br)cc2)cs1 2331430375 LUAJRYBCHUJKKW-UHFFFAOYSA-N 487.378 6.856 50 10 JKGE CN(CC[C@@H](Br)c1ccccc1)Cc1sccc1I 2338762117 DVRUHYZDSCYMJK-CYBMUJFWSA-N 450.183 5.311 50 10 JKGE Cc1cc(Br)c(F)c(Br)c1[C@H](Cl)c1cc(Br)sc1C 2339656446 NVWMZQWICFFBFO-GFCCVEGCSA-N 491.445 7.120 50 10 JKGE COc1c(F)c(F)cc([C@H](Cl)c2cc(Br)sc2Br)c1F 2361166534 SWPGWSBUKFTBQO-QMMMGPOBSA-N 450.501 6.027 50 10 JKGE C[C@]1([C@@H](Cl)c2c(Cl)cc(Br)c(F)c2Br)C[C@H]1C(F)(F)F 2362231803 HFQWBZWDNYUCPP-DADVEIPYSA-N 458.902 6.873 50 10 JKGE CC1(C)OCCO[C@H]1[C@@H](Br)c1c(Cl)cc(Br)c(F)c1Br 2362233336 ZGXPCPZAJCZZHH-JQWIXIFHSA-N 495.408 5.634 50 10 JKGE Br[C@@H]1CC[C@@H](c2ccccc2)C[C@H]1Cc1sccc1I 2364105299 WZEOKRDQYPWDBK-QLFBSQMISA-N 461.206 6.243 50 10 JKGE Cn1nc(C(F)F)c(CCl)c1Oc1cc(Br)cc(I)c1 2365266198 XHTIRBOGWNEQMH-UHFFFAOYSA-N 477.474 5.256 50 10 JKGE COc1cc(Cl)c(CBr)c(N2CCN(Cc3ccccc3)CC(F)(F)C2)c1 2365802162 ZWSKYLVWUXKIKS-UHFFFAOYSA-N 459.762 5.201 50 10 JKGE Clc1ccc(CN2[C@H]3CCCC[C@H]3C[C@@H]2CBr)c(I)c1 2366725539 SKRRFQLARJBFGB-PEYYIBSZSA-N 468.604 5.473 50 10 JKGE CC1(C)CC[C@H](Cl)[C@H](CNCc2ccc(I)c(Br)c2)C1 2377338986 BDIAPBOXRZYDQA-JSGCOSHPSA-N 470.620 5.577 50 10 JKGE CC(C)CO[C@H]1[C@@H](OCc2cc(I)ccc2Cl)C[C@H]1Br 2380346756 QHZWUNRUGDZMDF-VHDGCEQUSA-N 473.576 5.038 50 10 JKGE Clc1ccc(I)cc1CN1C[C@H]2CCCC[C@@]2(CBr)C1 2380531733 TWHKKQUGAKREKJ-CZUORRHYSA-N 468.604 5.332 50 10 JKGE Cc1ccc(CCN(C(=O)CCl)[C@H](C(=O)N[C@H]2CCCC[C@@H]2C)c2ccccc2Cl)cc1 3035410 FJOGJWYBWMGSJF-QXWFJRNPSA-N 475.460 5.695 50 10 JKGE N#C/C(=C/c1ccc(I)cc1)c1nc(-c2ccc(Br)cc2)cs1 33391333 RSFVBWIUEHBBKE-ZROIWOOFSA-N 493.167 6.241 50 10 JKGE CCCCOc1cccc(-c2nn(-c3ccccc3)cc2/C=C(\C#N)S(=O)(=O)c2ccc(C)cc2)c1 35446845 HBWUVVNGBMVHRC-TURZUDJPSA-N 497.620 6.365 50 10 JKGE CC(C)(C)c1ccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)COc4ccc(Cl)cc4)ccc32)cc1 38649711 LLTPNBIQNUWAHL-AREMUKBSSA-N 488.971 5.840 50 10 JKGE CCCCOc1ccccc1C(=O)Oc1ccc2c(c1)OC(N)=C(C#N)[C@H]2c1ccc(OC)cc1 38650408 RWIRCRJPKLMZLV-SANMLTNESA-N 470.525 5.311 50 10 JKGE Cc1ccccc1C(=O)Oc1ccc2c(c1)OC(N)=C(C#N)[C@@H]2c1ccc(Cl)cc1Cl 38655115 YMJGVTDYZHWBLU-JOCHJYFZSA-N 451.309 5.739 50 10 JKGE COc1cc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4ccc(C)cc4)ccc32)ccc1OCCC(C)C 38660320 GFHAGEOYVYLZME-NDEPHWFRSA-N 498.579 5.866 50 10 JKGE Cc1c(C(=O)N(Cc2ccccc2)Cc2ccccc2)oc2c1/C(=N/NC(=O)c1ccco1)CCC2 40814436 NZKZQXMRBVXFMC-JJKYIXSRSA-N 481.552 5.494 50 10 JKGE COc1cc(/C=C(\C#N)c2ccc(Cl)cc2)ccc1OC(=O)COc1ccc(Cl)cc1Cl 40850982 ZJLRYKXNNLTCPQ-LICLKQGHSA-N 488.754 6.704 50 10 JKGE COC(=O)c1c(NC(=O)/C(C#N)=C/c2ccccc2)sc(C)c1-c1ccc(Br)cc1 40939438 FHAWCSZDDGPLDW-SFQUDFHCSA-N 481.371 5.818 50 10 JKGE CCCc1ccc(OCC(=O)N/N=C/c2c(OC)ccc3ccccc23)c(Br)c1 40960167 CRGOISZWBOTGBK-AFUMVMLFSA-N 455.352 5.093 50 10 JKGE C[C@@H](Oc1ccc(Cl)cc1Cl)C(=O)N/N=C1\C(=O)N(C/C=C/c2ccccc2)c2ccccc21 59160402 NISFBTQCGGONKD-OQVQMDAPSA-N 494.378 5.341 50 10 JKGE Cc1c(Cl)cccc1NC(=O)/C(C#N)=C/c1cccc(OCc2ccc(Br)cc2)c1 59292105 ZZQLGSVXHIUKAJ-XDHOZWIPSA-N 481.777 6.536 50 10 JKGE COc1ccc(C(=O)N/N=C/c2ccccc2Oc2ccc(C(F)(F)F)cc2[N+](=O)[O-])cc1 59500332 SDPGSWGECNOCHK-LGJNPRDNSA-N 459.380 5.178 50 10 JKGE ClCCc1nc2cc(I)ccc2n1-c1ccccc1Br 97353909 ULDNMQWUJBQZAX-UHFFFAOYSA-N 461.528 5.174 50 10 JKGE N#CC1=C(N)OC2=C(CCC/C2=C/c2ccccc2Br)[C@H]1c1ccccc1Br 98064668 SYQZYJOPPGHJHC-OKULMJQMSA-N 498.218 6.541 50 10 JKGE Cc1ccc(NC(=O)/C(C#N)=C\c2c(Oc3ccc(Cl)c(C)c3)nc3ccccn3c2=O)cc1 103873531 SPQBLORDMYBGAR-JXAWBTAJSA-N 470.916 5.303 50 10 JKGE C/C(CC(=O)Nc1ccccc1-c1ccccc1)=N/NC(=O)c1ccc([N+](=O)[O-])c(Cl)c1 103912897 OAZYKEDHJANUPL-YSMPRRRNSA-N 450.882 5.050 50 10 JKGE Clc1cc([C@H](Cl)c2csc3c(Br)cccc23)ccc1Br 129205403 XFPIEITZPLREAN-AWEZNQCLSA-N 451.010 7.408 50 10 JKGE Fc1cccc([C@H](Br)c2cc3c(cc2Br)OCCO3)c1Br 156105964 VUKMLMHJBQEJSO-AWEZNQCLSA-N 480.953 5.606 50 10 JKGE Fc1cc([C@H](Br)c2cc(Br)c(Br)s2)c(F)cc1Cl 167732734 NIJBYLFWACEGOT-JTQLQIEISA-N 481.381 6.689 50 10 JKGE CCCCCN1C(=O)C(C#N)=C(C)/C(=C/c2cn(-c3ccccc3)nc2-c2ccc(OC)c(C)c2)C1=O 214233143 CSQZVUYSBUUUCF-UQQQWYQISA-N 494.595 5.639 50 10 JKGE CC[C@@H](N/C=C(/C#N)C(=O)N[C@H](CC)c1ccc2c(c1)CCCC2)c1ccc2c(c1)CCCC2 217189502 HDNBQYVFMLDCJF-QLLTWMAJSA-N 455.646 6.160 50 10 JKGE Cc1sc([C@H](Cl)c2cc(Br)ccc2Br)cc1Br 227823156 JZIPNGMOMGKJEV-GFCCVEGCSA-N 459.428 6.672 50 10 JKGE CC(C)N1CC2=C(OC(N)=C(C#N)[C@@H]2c2ccc(Cl)cc2)/C(=C\c2ccc(Cl)cc2)C1 229785799 SDVIFSNPLNJRHI-RXATWSHQSA-N 452.385 5.863 50 10 JKGE Cc1ccc(N[C@H](C)C(=O)NN=Cc2ccccc2OCc2cccc(Br)c2)cc1 251290322 VLZVNUNIEHZPGP-GOSISDBHSA-N 466.379 5.287 50 10 JKGE Cc1ccc(COc2ccc(C(=O)NN=Cc3ccc(OCc4ccccc4)cc3)cc2)cc1 254821049 AQEWCFJAACUBKW-UHFFFAOYSA-N 450.538 5.917 50 10 JKGE CC(/C=C\c1ccccc1)=NNC(=O)CSc1nnc(-c2cccc([N+](=O)[O-])c2)n1-c1ccccc1 263631376 DESNOGRPZUKFEY-MJWQSIFZSA-N 498.568 5.140 50 10 JKGE CCCCCC[C@@H](C)O[C@](C)(CI)CN(CC)C(=O)OC(C)(C)C 303741849 QIJYFDRREACPAH-VQIMIIECSA-N 455.421 5.813 50 10 JKGE O=C(NC[C@@H]1CCC[C@H](CBr)C1)c1cc(Br)ccc1Br 312650885 KVXYAIYXHLHXPE-WDEREUQCSA-N 468.027 5.143 50 10 JKGE Cc1cccc2nc(CCl)n(-c3ccc(I)c(Br)c3)c12 380064676 WLRRRBAGJPQTQV-UHFFFAOYSA-N 461.528 5.440 50 10 JKGE CN(c1ccc(Br)cc1CBr)[C@@H]1CCCN(Cc2ccccc2)C1 388336338 FSPSXXHQLLDFFI-LJQANCHMSA-N 452.234 5.445 50 10 JKGE O=C(NCCCN(Cc1ccccc1)Cc1ccccc1)c1ccc(-c2nc(CCl)cs2)cc1 390610595 DYRWJMLPPNVSIS-UHFFFAOYSA-N 490.072 6.371 50 10 JKGE Cc1cc(Br)c([C@H](Br)c2ccc(OCc3ccccc3)cc2)s1 393936792 DABAXTUDLMESDH-GOSISDBHSA-N 452.211 6.882 50 10 JKGE CC(C)[Si](Oc1cc2c(cc1Cl)[C@@](C#CC1CC1)(C(F)(F)F)OC(=O)N2)(C(C)C)C(C)C 504680559 BEOWTPVROSFNEV-QFIPXVFZSA-N 488.022 7.627 50 10 JKGE in-vitro CC(C)(C)OC(=O)Nc1cccc([C@H]2CNc3ccccc3N2CCO[Si](C)(C)C(C)(C)C)c1 616582876 AHKSJIIEOCJOFQ-XMMPIXPASA-N 483.729 7.029 50 10 JKGE BrCC(CBr)(Cc1cc(Br)cs1)C1CCCCCC1 696857765 GQWUTKRKKPLJCF-UHFFFAOYSA-N 473.112 6.800 50 10 JKGE CCOc1ccc([C@@H](Br)c2ccsc2Br)c(Br)c1 698554877 ZLVOBWKBDCURHK-GFCCVEGCSA-N 455.009 6.156 50 10 JKGE Clc1cc([C@H](Br)c2ncsc2Br)c(Cl)c(Cl)c1Cl 698680968 IPNBKTNLWGLMIV-YFKPBYRVSA-N 470.828 7.004 50 10 JKGE BrCc1cc(Br)ccc1N1CC[C@@H]2[C@@H](CCCN2Cc2ccccc2)C1 715013986 GPICIDDACPSBJN-PGRDOPGGSA-N 478.272 5.835 50 10 JKGE Cc1cc(C=NNC(=O)CSCc2ccc([N+](=O)[O-])cc2)c(C)n1-c1cccc(Cl)c1Cl 1083857847 FEKVEYGVRZCJBS-UHFFFAOYSA-N 491.400 5.693 50 10 JKGE O=C(NN=Cc1ccc(OCc2cccc([N+](=O)[O-])c2)cc1)c1cc2cc(Br)ccc2o1 1083923949 ARSOAFVFANPIMX-UHFFFAOYSA-N 494.301 5.446 50 10 JKGE O=C(NN=Cc1ccccc1OCc1cccc(Br)c1)c1ccc2ccccc2c1 1084101402 FNELPCLZEBQUSN-UHFFFAOYSA-N 459.343 5.945 50 10 JKGE Cc1cc(C=NNC(=O)[C@@H](C)Sc2ccc(Cl)cc2)c(C)n1-c1cccc(Cl)c1Cl 1084545852 VTMPHSKOVJLDSU-OAHLLOKOSA-N 480.848 6.685 50 10 JKGE Cc1ccc(-n2c(C)c(Br)c(C=NNC(=O)[C@@H](C)SCc3ccccc3)c2C)c(C)c1 1084562035 DRKYEUKHNXTCAQ-HXUWFJFHSA-N 498.490 6.245 50 10 JKGE COc1cccc(C(=O)NN(C(=O)c2cc(C)cc(Cl)c2)C(C)(C)C)c1-c1ccccc1 1615950002 LEHDOAVVKOTTGJ-UHFFFAOYSA-N 450.966 5.910 50 10 JKGE Cc1c(C(=O)NNC(=O)c2ccc(Cl)cc2Cl)oc2c1C(=NNc1ccccc1)CCC2 1772750799 MSEQQSMIHNHIIT-UHFFFAOYSA-N 471.344 5.122 50 10 JKGE O=C(/C=C\c1ccccc1)NN=C1C(=O)N(Cc2ccc(Cl)cc2)c2ccc(Br)cc21 1772752254 FERCSECRFPZHCJ-XNVGHWHQSA-N 494.776 5.183 50 10 JKGE N#CC1=C(N)Oc2c(c(C(F)(F)F)nn2-c2cccc(Cl)c2)[C@@H]1c1c(Cl)cccc1Cl 1865684982 BSRCWNCYYMGMEN-AWEZNQCLSA-N 485.680 6.069 50 10 JKGE Cc1ccc(C)c(Cn2nc(C(F)(F)F)c3c2OC(N)=C(C#N)[C@@H]3c2c(Cl)cccc2Cl)c1 1865685435 IPQSURYFSXKWTQ-QGZVFWFLSA-N 493.316 6.092 50 10 JKGE CCCc1nn(-c2ccc(Cl)cc2)c2c1[C@H](c1ccc(Cl)c(Cl)c1)C(C#N)=C(N)O2 1865685473 JLNFOIAHILELDU-LJQANCHMSA-N 459.764 6.003 50 10 JKGE CCOc1ccc([C@H]2C(C#N)=C(N)Oc3c2c(CC)nn3-c2ccccc2Cl)cc1OCC 1865690049 ZTEKWHZQDCULOP-QFIPXVFZSA-N 464.953 5.104 50 10 JKGE CCCCCCOc1ccc([C@@H]2C(C#N)=C(N)Oc3c2c(C)nn3-c2ccccc2)cc1OC 1865696536 OVEQOSZMYNVHLG-RUZDIDTESA-N 458.562 5.367 50 10 JKGE CCCc1nn(-c2ccc(C)cc2)c2c1[C@@H](c1cc(Br)ccc1F)C(C#N)=C(N)O2 1865702336 SZAIUJHOZFKFRD-FQEVSTJZSA-N 467.342 5.253 50 10 JKGE N#CC1=C(N)Oc2c(c(-c3ccccc3)nn2-c2ccccc2Cl)[C@H]1c1ccc(C(=O)O)cc1 1865708906 IWDLOSPEOHDUCD-NRFANRHFSA-N 468.900 5.109 50 10 JKGE COc1ccc(/C=C(\C(=O)NNC(=O)c2ccc(-c3ccc(F)c(F)c3)nc2C)c2ccccc2)cc1 1865757096 MUTMWDLLBXOOMW-JLPGSUDCSA-N 499.517 5.346 50 10 JKGE COc1ccc([C@H](CC(=O)NC(C)(C)C(=O)Nc2ccc(SC#N)cc2)C(C)C)cc1C 1866768001 IAAVHMZZTACSDR-OAQYLSRUSA-N 453.608 5.240 50 10 JKGE COc1ccc(CCCC(=O)N[C@@H](C(=O)Nc2ccc(SC#N)cc2)c2ccccc2)cc1OC 1866785517 RXQAIHGECAGZBP-AREMUKBSSA-N 489.597 5.096 50 10 JKGE N#CSc1ccc(Nc2cc(N3CCC[C@H]3c3nc4c([nH]3)CCCC4)nc(-c3cccnc3)n2)cc1 1868566155 VESDPDWAMWOKMB-QHCPKHFHSA-N 494.628 5.799 50 10 JKGE N#C/C(=C(O)\C=C\c1cccc([N+](=O)[O-])c1)c1nc(-c2cccc(Br)c2)cs1 1872746187 WYRQOYBHHDOCOG-YLDZBIJKSA-N 454.305 5.987 50 10 JKGE COc1ccc(-c2csc(/C(C#N)=C(\O)c3cc([N+](=O)[O-])c(C)c([N+](=O)[O-])c3)n2)cc1C 1872746439 IHTOVJKTIBKXPP-HKWRFOASSA-N 452.448 5.202 50 10 JKGE COc1c(C)cc(Cl)cc1-c1csc(/C(C#N)=C(\O)[C@H](C)Oc2ccccc2C(C)C)n1 1872757053 ONGKICOPIPTFNO-YZNZPZSRSA-N 469.006 7.164 50 10 JKGE CC[C@H](C)N1C(=O)c2ccc(/C(O)=C(\C#N)c3nc(-c4c(C)cc(C)cc4C)cs3)cc2C1=O 1872757208 UVPWUIXOKOFGSZ-JOGXUEJDSA-N 471.582 6.080 50 10 JKGE COc1ccc(C/C(O)=C(\C#N)c2nc(-c3ccc(OC)c4ccccc34)cs2)cc1OC 1872758480 CDBPHUPMDCCLGH-XDOYNYLZSA-N 458.539 6.024 50 10 JKGE Cc1ccc(COc2ccc(/C=C(\C#N)c3nc(-c4ccc(Br)cc4)cs3)cc2)cc1 1872780981 QNFWMNXPWRNFED-HYARGMPZSA-N 487.422 7.524 50 10 JKGE CCCCOc1ccc(/C=C(\C#N)c2nc(-c3cc(C(C)(C)C)ccc3OC)cs2)cc1OCC 1872792964 AGCUZPVOZRSFAS-RCCKNPSSSA-N 490.669 7.758 50 10 JKGE CCN(Cc1ccccc1)c1ccc(/C=C(\C#N)c2nc(-c3c(C)cc(C)cc3C)cs2)cc1 1872794251 QYFYGFAPOAJZKL-YZSQISJMSA-N 463.650 7.826 50 10 JKGE C[C@@H](CCCl)N(Cc1ccccc1)S(=O)(=O)c1cc(Br)ccc1Br 1915070565 YWAKFNLQGPJOOM-ZDUSSCGKSA-N 495.664 5.420 50 10 JKGE CC[C@H](Br)CN(Cc1ccccc1)Cc1cc(Br)cc2c1OCC2 1915128083 VKAPVUKJYLXMQI-SFHVURJKSA-N 453.218 5.560 50 10 JKGE Brc1cccc(Br)c1CN1CC[C@@]2(CCC[C@@H]2Br)C1 1918937022 UGWASWPOLLEVFU-GJZGRUSLSA-N 452.028 5.351 50 10 JKGE Fc1ccc([C@H](Cl)c2c(Br)sc(Br)c2Cl)c(Br)c1 1923037239 BXVCLQVBTGCBSD-QMMMGPOBSA-N 497.836 7.156 50 10 JKGE Clc1c(Br)sc(Br)c1[C@H](Br)[C@@H]1C[C@@H]2CCC[C@H]21 1923068145 NNTLAFRCGWUXGE-YYWONIAYSA-N 463.460 6.799 50 10 JKGE Clc1c(Br)sc(Br)c1[C@@H](Br)CC1CCCC1 1923068858 XNRZBQQGMMDBMU-ZETCQYMHSA-N 451.449 6.943 50 10 JKGE C[C@@]1(CI)CC[C@@H](c2c(Br)cccc2Br)O1 1938361176 HGBYSBAZSHIYRQ-JQWIXIFHSA-N 459.947 5.257 50 10 JKGE C[C@H](Br)c1cn(-c2cc(Br)c(Br)c(Br)c2)nn1 1946435322 UZOSOHUYLWNXJC-YFKPBYRVSA-N 488.803 5.011 50 10 JKGE C[C@]1([C@@H](Br)c2sc(Br)cc2Br)C[C@H]1C(F)(F)F 1950756317 ZMDIXGLCSVLQHC-YRZRMSQOSA-N 456.947 6.298 50 10 JKGE Cl[C@@H](c1cc(I)sn1)c1cc(Br)ccc1Br 1983286463 QESQDTGWMNLZRI-SNVBAGLBSA-N 493.389 5.601 50 10 JKGE Cc1sc(Br)c([C@@H](Br)c2cscc2OCc2ccccc2)c1C 1993986710 JLNMOMVRAZATAX-KRWDZBQOSA-N 472.267 7.252 50 10 JKGE Clc1ccc(C[C@@H](Br)c2cc(I)sn2)cc1Cl 2007645762 WXLHWNIKOJOFCP-SSDOTTSWSA-N 462.965 5.733 50 10 JKGE CCN(C[C@](C)(CI)OCC[C@]12CCC[C@@H]1C2)C(=O)OC(C)(C)C 2011684292 DUTKTBJWDIBRGA-MNEFBYGVSA-N 451.389 5.034 50 10 JKGE Cl[C@@H](c1ccc(Br)cc1)c1ccc(Br)cc1I 2026220602 GEDZENTXIUMANF-ZDUSSCGKSA-N 486.372 6.144 50 10 JKGE CS(=O)(=O)c1csc([C@H](Cl)c2cc(Br)c(Br)s2)c1 2032176034 GKLCGRZTKVUYDO-VIFPVBQESA-N 450.626 5.066 50 10 JKGE Cc1sc(Br)cc1[C@H](Br)c1cc(Cl)c(Br)cc1F 2034561408 ICLQAYASMTZMTO-LBPRGKRZSA-N 477.418 6.858 50 10 JKGE Cc1c(Br)sc([C@H](Br)C[C@H]2C[C@@H]2C(F)(F)F)c1Br 2065505369 KLNPGWYBBBDTEK-DSYKOEDSSA-N 470.974 6.606 50 10 JKGE FC(F)(F)CC1([C@H](Br)c2ccc(Br)cc2Br)CC1 2083331561 ALIWLMFBRVMFIC-SNVBAGLBSA-N 450.918 6.380 50 10 JKGE Cc1cc(F)c([C@H](Br)Cc2ccccc2I)cc1Cl 2087570066 NIKFCHZNMRTLJP-GFCCVEGCSA-N 453.520 6.071 50 10 JKGE Brc1cc([C@@H](Br)c2ccc3c(c2)COCC3)c(Br)s1 2096423628 SWKPQAGRZUCGDW-ZDUSSCGKSA-N 467.020 5.830 50 10 JKGE Fc1ccc([C@@H](Br)Cc2c(Cl)cccc2Cl)c(I)c1 2104782154 LNAQRSOFUKMXIW-NSHDSACASA-N 473.938 6.416 50 10 JKGE BrCCN(Cc1cccs1)Cc1c(Br)cccc1Br 2114667777 SHZCDNYBTOVANL-UHFFFAOYSA-N 468.052 5.670 50 10 JKGE CN(c1ccc(Br)cc1CBr)[C@@H]1C[C@@H]2C[C@H](OCc3ccccc3)C[C@H]21 2134020153 UDXPJJYFCZYSDI-VRBBWPEWSA-N 479.256 6.164 50 10 JKGE COc1cc(Br)ccc1[C@H](Cl)c1ccc(Br)cc1Br 2138862360 JPFRKMAZEABKIA-CQSZACIVSA-N 469.398 6.311 50 10 JKGE O=C(Nc1cccc(CCl)c1)c1ccc(Br)cc1I 2142280288 BSHHSTGQDFCZQZ-UHFFFAOYSA-N 450.501 5.045 50 10 JKGE BrCc1cc(Br)cc(Br)c1OC[C@@H]1OCCC12CCC2 2145190601 BHKWRMUDYUGWQX-ZDUSSCGKSA-N 469.011 5.445 50 10 JKGE Cc1ccccc1C[C@@H](CBr)Cc1ccc(Br)cc1Br 2148680369 CUHZOXBSQIMZCB-CYBMUJFWSA-N 461.035 6.316 50 10 JKGE O=C(NC[C@H]1CCCC[C@@H]1CBr)c1c(Br)cccc1Br 2150491680 RPCNFIHTANAWGD-GHMZBOCLSA-N 468.027 5.143 50 10 JKGE Clc1ccc(I)c(CC[C@@H](Br)CN2CCCCCC2)c1 2155645662 YEDGZFJXZGLGIX-CQSZACIVSA-N 470.620 5.517 50 10 JKGE Cn1nc([C@H](Cl)c2scc(C(F)(F)F)c2Br)c(Br)c1Cl 2167050336 KIQMSSBRXIAOFL-LURJTMIESA-N 472.939 6.007 50 10 JKGE Cc1cc(Br)c(-n2cc(CCC[C@@H](C)Br)nn2)c(Br)c1 2189285339 USCUDDWLSUADCH-SNVBAGLBSA-N 466.015 5.207 50 10 JKGE COc1cc(C)c([C@@H](Br)c2ccc(Br)c(F)c2)cc1Br 2198737866 UDILVGSQCVWUQW-HNNXBMFYSA-N 466.970 6.152 50 10 JKGE Cc1cc(Br)c(C)c([C@H](Br)[C@@H]2C[C@@H]2C2CCCC2)c1Br 2201067806 BFZNVXBFDPWIGQ-PBFPGSCMSA-N 465.067 7.091 50 10 JKGE Cc1cc(Br)c(C)c([C@H](Br)c2ccc([N+](=O)[O-])o2)c1Br 2201068233 DTHZRRJKKSCBTJ-CYBMUJFWSA-N 467.939 5.814 50 10 JKGE Cc1cc(Br)c(C)c([C@@H](Br)C23COC(CF)(C2)C3)c1Br 2202642122 KONIKKFQTBBDIQ-WLYUNCDWSA-N 471.002 5.783 50 10 JKGE COc1cccc(F)c1[C@H](Br)c1ccc(Br)c(C)c1Br 2203682582 AFHJMDNMRWJNCM-OAHLLOKOSA-N 466.970 6.152 50 10 JKGE Cc1csc([C@H](Br)c2c(C)sc(Br)c2C)c1Br 2213630119 MTBSHJFAYOQWHK-SNVBAGLBSA-N 459.066 6.744 50 10 JKGE COc1ccc(Br)c(CCl)c1OC[C@@H]1CC1(Br)Br 2220448742 IULDVZYHUAJXRM-ZETCQYMHSA-N 463.391 5.081 50 10 JKGE Cl[C@H](c1cc(Br)sc1Br)c1ccc2c(c1Br)CCO2 2229735128 ZOJHTBHHRZTXMS-LBPRGKRZSA-N 487.438 6.299 50 10 JKGE CCOCc1cc(Br)c([C@H](Cl)c2cc(Br)ccc2Cl)s1 2233010500 UYCNLOMJJVISMP-CYBMUJFWSA-N 459.030 6.791 50 10 JKGE COc1c(C(C)C)cc(Br)cc1[C@H](Br)c1coc(Br)c1 2233160772 YHKDDIGMUZLSDC-CQSZACIVSA-N 466.995 6.421 50 10 JKGE BrCc1cc(Br)cc(Br)c1OC[C@@H]1OC[C@H]2CCC[C@@H]21 2233359499 DLWDAMLZSSJHMW-LQJRIPTKSA-N 469.011 5.300 50 10 JKGE Cc1c(Br)ccc([C@H](Br)C2C[C@H]3CCC[C@H](C2)C3)c1Br 2233634704 KFMZENFHPJUOAS-NVGCLXPQSA-N 465.067 7.172 50 10 JKGE CCOC1CC(C[C@H](Br)c2c(Br)cc(C)c(Br)c2C)C1 2235601815 BEKXKIRGBBGGPO-YIZWMMSDSA-N 469.055 6.470 50 10 JKGE Fc1ccc([C@@H](Br)c2ccc([C@@H]3CCOC3)s2)c(I)c1 2240425740 BZXOKYZQPPSULE-RFAUZJTJSA-N 467.141 5.480 50 10 JKGE Cc1sc([C@H](Br)c2c(F)cccc2Br)c(Br)c1C 2253505010 OJGVMIMWAZUFEO-GFCCVEGCSA-N 457.000 6.513 50 10 JKGE Cc1cc(Br)c([C@@H](Br)c2cc(F)c(Br)cc2Cl)s1 2255969418 INAPHVUNXDQVBM-NSHDSACASA-N 477.418 6.858 50 10 JKGE Brc1csc([C@H](Br)c2ccc(C3CCC3)s2)c1Br 2259363199 NOSTXCJXTQGBGG-GFCCVEGCSA-N 471.077 7.086 50 10 JKGE CS(=O)(=O)c1cscc1[C@H](Br)c1cc(Br)c(Br)s1 2260091507 KFGGHXNYOOIKRB-VIFPVBQESA-N 495.077 5.222 50 10 JKGE Cc1oc(Br)cc1[C@H](Cl)Cc1cc(Br)cc(Br)c1 2263513904 ULAJHEIBEAYYNY-GFCCVEGCSA-N 457.387 6.398 50 10 JKGE COc1cc(Br)c(OCC2(CBr)CC(F)C2)cc1Br 2265643695 SVPMAAKAJZMIOW-UHFFFAOYSA-N 460.963 5.112 50 10 JKGE COc1c([C@H](Br)c2csc(Br)c2)cc(Br)c(C)c1C 2269112712 ZCZYCQWOJMSSCM-CYBMUJFWSA-N 469.036 6.383 50 10 JKGE COc1ccc([C@H](Br)c2cc(F)cc(Br)c2)cc1I 2269554805 GSHBSUPZFPKCJP-AWEZNQCLSA-N 499.943 5.686 50 10 JKGE Brc1coc([C@H](Br)c2cc(Br)cc3c2OCCC3)c1 2270489580 JLQCEQCKDLGNMQ-CYBMUJFWSA-N 450.952 5.614 50 10 JKGE Fc1cc(Br)c(F)c(Br)c1[C@H](Br)C1CC(C2CC2)C1 2272731423 ZDUSRFIYZMTORS-WZQIAMPNSA-N 458.966 6.362 50 10 JKGE Cc1cc([C@@H](Cl)c2cc3sc(Br)cc3s2)ccc1I 2278107284 ZAGRGPHWYDGJSJ-CQSZACIVSA-N 483.621 6.967 50 10 JKGE COc1c([C@H](Br)c2occc2Br)cc(Br)c2c1CCC2 2284592915 FENGMFDZNARHCE-ZDUSSCGKSA-N 464.979 5.786 50 10 JKGE COc1cc(C)c(Cl)cc1[C@@H](Br)c1ccc(Cl)c(I)c1 2295301573 NLSFXZQQNPAQAC-HNNXBMFYSA-N 485.974 6.399 50 10 JKGE CC1([C@H](Br)Cc2cc(Br)cc(Br)c2)CC(C(F)(F)F)C1 2295332121 SAGNHAPEYIVENQ-BKDHPRRPSA-N 478.972 6.496 50 10 JKGE COc1c(C)cc(C)cc1[C@@H](Br)c1cc(Cl)ccc1I 2295356914 GWGBTKBDRXBIOS-HNNXBMFYSA-N 465.556 6.054 50 10 JKGE FC(F)(F)[C@@H]1C[C@H]1C[C@H](Br)c1sc(Cl)cc1I 2300950058 VMXWZIVCNICDTP-JKUQZMGJSA-N 459.496 6.031 50 10 JKGE CCCOc1c(Br)cc(C=C(C#N)C(=O)Nc2ccccc2Cl)cc1OCC 2313519034 TUSLLURIPRINDM-UHFFFAOYSA-N 463.759 5.836 50 10 JKGE COc1cc(C=C(C#N)C(=O)Nc2cc(Cl)ccc2Cl)ccc1OCc1ccc(C)cc1 2313631769 VHVKCVGZXVLOEK-UHFFFAOYSA-N 467.352 6.435 50 10 JKGE CCOc1cc(C=C(C#N)C(=O)Nc2cccc([N+](=O)[O-])c2)ccc1OCc1cccc(C)c1 2313724579 KHQYDONRSLBSCR-UHFFFAOYSA-N 457.486 5.427 50 10 JKGE FC1([C@@H](Br)c2ccc(OCc3ccccc3)cc2Br)CC2(CCC2)C1 2314500414 NEIWOASLLMBPTE-IBGZPJMESA-N 468.204 7.137 50 10 JKGE N#CC(=Cc1ccc2noc(-c3ccc(Cl)cc3)c2c1)C(=O)Nc1cccc(Cl)c1Cl 2314571910 OLJMTZNBVUIBNV-UHFFFAOYSA-N 468.727 7.001 50 10 JKGE COc1ccc(N2C(=O)[C@H](Cc3ccc(C)c(C)c3)SC2=C(C#N)C(=O)Nc2cccc(C)c2)cc1 2314592028 KDUSBTYQZNQYRI-SANMLTNESA-N 497.620 5.685 50 10 JKGE CC1=C(C#N)C(=O)N(Cc2ccccc2Cl)C(=O)C1=Cc1ccc(OCc2ccccc2F)cc1 2314620343 NQOZUGVWFCHLQY-UHFFFAOYSA-N 486.930 5.851 50 10 JKGE N#CC1=C(N)Oc2cc(OC(=O)C=Cc3ccccc3Cl)ccc2[C@H]1c1ccc(Cl)c(Cl)c1 2314634638 ROBJEMBFZDSHHX-XMMPIXPASA-N 497.765 6.484 50 10 JKGE CCCOc1ccc(C=C(C#N)C(=O)Nc2sc(C)c(-c3cccc(Cl)c3)c2C(=O)OC)cc1 2314793113 MIUBRSDXZVBHGL-UHFFFAOYSA-N 495.000 6.498 50 10 JKGE N#CC(=C(O)c1ccc(-c2ccccc2)cc1)c1nc(-c2ccc(Oc3ccccc3)cc2)cs1 2331358697 DQIQVWNPVUUPRC-UHFFFAOYSA-N 472.569 8.219 50 10 JKGE COc1cc(-c2csc(C(C#N)=C(O)CCc3ccc(Cl)cc3)n2)c(OC)cc1Cl 2331377385 RDBLQWKFIPGNEJ-UHFFFAOYSA-N 461.370 6.560 50 10 JKGE COc1c(C)cc(Cl)cc1-c1csc(C(C#N)=C(O)Cc2ccc(Br)cc2)n1 2331392033 JIXCXRGSIVQWOZ-UHFFFAOYSA-N 475.795 6.578 50 10 JKGE COc1cc(C)c(-c2csc(C(C#N)=C(O)c3cc([N+](=O)[O-])cc([N+](=O)[O-])c3)n2)cc1C 2331403802 JZRDQDADZMAVIS-UHFFFAOYSA-N 452.448 5.202 50 10 JKGE COc1ccc(-c2csc(C(C#N)=C(O)[C@@H](C)Oc3ccccc3C(C)C)n2)c(OC)c1OC 2331412942 VHOSJWRUNWAIEL-MRXNPFEDSA-N 480.586 6.219 50 10 JKGE CCN(Cc1ccccc1)c1ccc(C=C(C#N)c2nc(-c3ccc(OC)c(OC)c3)cs2)cc1 2331417960 DSZBQXVZGOQKFX-UHFFFAOYSA-N 481.621 6.918 50 10 JKGE COc1cc(C=C(C#N)c2nc(-c3ccc(F)c(F)c3)cs2)ccc1OCc1ccc(C)cc1 2331464098 XSUJRQGCDNMSEC-UHFFFAOYSA-N 474.532 7.049 50 10 JKGE CCN(Cc1ccccc1)c1ccc(C=C(C#N)c2nc(-c3cc(C)cc(C)c3OC)cs2)cc1 2331470014 XPDWFGADIXHAQF-UHFFFAOYSA-N 479.649 7.526 50 10 JKGE CCOc1ccc(OCC)c(-c2csc(C(C#N)=Cc3ccc(Cl)c([N+](=O)[O-])c3)n2)c1 2331470847 RBJOCPGKFHGYRQ-UHFFFAOYSA-N 455.923 6.233 50 10 JKGE Fc1cc(Br)c(Br)cc1[C@@H](Br)[C@@H]1C[C@H]1C1CCCC1 2333605778 XWINVLXRHMLWQV-WMFXKJRFSA-N 455.003 6.613 50 10 JKGE CCC[C@@H]1CC[C@H](Br)[C@H](Cc2ccc(Cl)c(I)c2)C1 2337275921 ATUNFQQOVAZILT-XBFCOCLRSA-N 455.605 6.467 50 10 JKGE CC(C)Cc1ccccc1[C@H](Br)c1sc(Cl)cc1I 2338631676 ZPBOOGPFPFSOKJ-AWEZNQCLSA-N 469.613 6.689 50 10 JKGE COc1c(Br)cc(C)c([C@H](Br)C(F)(F)C(F)F)c1Br 2339652227 XKSNPAKWUSOJPA-VIFPVBQESA-N 472.896 5.865 50 10 JKGE COc1c(Br)cc(C)c([C@H](Br)C2CC3(CC3)C2)c1Br 2339655342 FAOAGGUOZFJGCK-GFCCVEGCSA-N 453.012 6.155 50 10 JKGE ClC[C@@H](NCc1ccc(I)c(Br)c1)c1ccccc1 2349831360 SPFMJEJHALDXRV-OAHLLOKOSA-N 450.545 5.123 50 10 JKGE CC(C)(C)OC(=O)NC[C@@](C)(CI)OCC1CCC(CC(F)(F)F)CC1 2353240377 FDQKHZNECXBYNV-MQBCKMQZSA-N 493.348 5.480 50 10 JKGE O=S1(=O)C[C@@H]2CCC[C@]2([C@@H](Cl)c2ccc(OCc3ccccc3)cc2Br)C1 2361176144 RZHJQMPRBNHKQC-NDXORKPFSA-N 469.828 5.523 50 10 JKGE Fc1c(Br)cc(Cl)c([C@@H](Br)[C@]23COC[C@H]2C3(F)F)c1Br 2362222113 HBTBIEZQZRSCAK-PFZYVWIYSA-N 499.346 5.722 50 10 JKGE Cc1cc(Br)c(F)c(Br)c1[C@@H](Br)[C@H]1CCCC2(CC2)C1 2365179119 NFLQTHDLLYUENV-GWCFXTLKSA-N 469.030 7.066 50 10 JKGE COc1c(Br)cc(C)c([C@H](Br)C2(C(F)(F)F)CC2)c1Br 2365191975 STAQTMXJMBQSOT-NSHDSACASA-N 480.944 6.307 50 10 JKGE C[C@](CBr)(OCc1c(Br)cccc1Br)c1ccccc1 2366183683 YNWCJRYXLSXJNR-MRXNPFEDSA-N 463.007 6.039 50 10 JKGE Cl[C@@H]1CN(Cc2ccc(I)c(Br)c2)CC12CCCCC2 2377317883 VYZNZXJQTKSSGF-OAHLLOKOSA-N 468.604 5.427 50 10 JKGE CCOC(=O)/C(C#N)=C/C=C1/C=CN(CC(=O)c2ccc(-c3ccccc3)cc2)c2ccccc21 2294988 YRDXXOVXSOGTEB-SZDYRUBNSA-N 460.533 5.967 50 10 JKGE CC[C@H](C)c1ccccc1OCC(=O)NNC(=O)COc1ccc(C(C)(C)C)cc1C(C)(C)C 14661612 OUCVQVWCMICVNH-IBGZPJMESA-N 468.638 5.400 50 10 JKGE N#C/C(=C/c1cccc(OC(=O)CC(c2ccccc2)c2ccccc2)c1)c1ccc(Cl)cc1 31903016 FEYNCHVGRYESIQ-ITYLOYPMSA-N 463.964 7.532 50 10 JKGE CCCOc1ccc(/C=C(\C#N)C(=O)Nc2sc(C)c(-c3ccccc3)c2C(=O)OC)cc1 33347211 NYFDPZKBAMQYQH-HMMYKYKNSA-N 460.555 5.845 50 10 JKGE COc1ccc(/C=C(/C#N)c2nc3ccc(C)cc3[nH]2)cc1Oc1ccc(C(F)(F)F)cc1[N+](=O)[O-] 33400340 XARWCCSQQFEXSE-YBEGLDIGSA-N 494.429 6.663 50 10 JKGE C=CCOc1ccc(Cl)cc1/C=C(/C#N)C(=O)Nc1ncc(Cc2ccc(C)c(Cl)c2)s1 33735927 LDFOUFLWLDNPOR-WQRHYEAKSA-N 484.408 6.460 50 10 JKGE COc1cc(/C=C(/C#N)C(=O)Nc2ccccc2C(=O)O)cc(Cl)c1OCc1ccccc1Cl 34760125 VKOCCLPKIWTSGD-YVLHZVERSA-N 497.334 5.825 50 10 JKGE COc1ccccc1OCCCC(=O)Oc1ccc(/C=C(/C#N)c2ccc(Cl)cc2)cc1OC 35077787 CNGSMJVECLVBES-PGMHBOJBSA-N 477.944 6.186 50 10 JKGE N#C/C(=C\c1cn(-c2ccccc2)nc1-c1ccccc1)C(=O)Nc1sc2c(c1C#N)CCCC2 35519358 JPIWJJPXDCLRCC-HMMYKYKNSA-N 475.577 5.897 50 10 JKGE CCCCCN1C(=O)C(C#N)=C(C)/C(=C\c2ccc(OCc3ccc(Cl)cc3Cl)cc2)C1=O 38603958 PTYQOOOGMVMHEC-LPYMAVHISA-N 483.395 6.355 50 10 JKGE CCCOc1cccc(C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@H]3c2ccccc2OCC)c1 38650542 JUGWCDFTZHXANT-SANMLTNESA-N 470.525 5.311 50 10 JKGE CCOc1ccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4ccc(C(C)(C)C)cc4)ccc32)cc1OC 38659446 GCJTVPBDBDWWKS-MHZLTWQESA-N 498.579 5.829 50 10 JKGE N#C/C(=C\c1ccc(-c2cccc(Cl)c2Cl)o1)C(=O)Nc1ccccc1C(F)(F)F 39884737 QCMQBRVIAIFSSS-ZRDIBKRKSA-N 451.231 6.818 50 10 JKGE Cc1ccc2cccc(OC(=O)c3oc4c(c3C)/C(=N/NC(=O)Cc3ccccc3)CCC4)c2n1 40815866 GOQJKRPBGFEYCP-MWAVMZGNSA-N 467.525 5.063 50 10 JKGE C=CCOc1ccc(-n2c(C)cc(/C=N\NC(=O)CC[C@H](O)c3ccc(OCC)cc3)c2C)cc1 58894546 BSUZESADNSJAQR-QTMOJHABSA-N 475.589 5.022 50 10 JKGE CCOc1cc(/C=C(\C#N)C(=O)Nc2cccc(C)c2C)ccc1OCc1ccccc1Cl 59202114 OSFXBKNZEYGWKT-HYARGMPZSA-N 460.961 6.480 50 10 JKGE Cc1ccc(NC(=O)/C(C#N)=C/c2cc(C)n(-c3ccc(I)c(C)c3)c2C)cc1 59335053 IGPJUEJXQBQISK-DEDYPNTBSA-N 495.364 5.861 50 10 JKGE Cc1cc(/C=C(\C#N)C(=O)Nc2cccc(Cl)c2Cl)c(C)n1-c1sc2c(c1C#N)CCCC2 59336088 WWJFXKZATSUICZ-GZTJUZNOSA-N 495.435 6.759 50 10 JKGE CCc1ccc(N2C(=O)[C@H](Cc3ccccc3F)S/C2=C(/C#N)C(=O)Nc2ccccc2)cc1 101244356 TZRDBIWXICZUBK-MZOFLMDJSA-N 471.557 5.453 50 10 JKGE CCCOc1ccccc1/C=C(/C#N)C(=O)Nc1ncc(Cc2cccc(C(F)(F)F)c2)s1 102958311 YVIUPLSFOMZDIY-AQTBWJFISA-N 471.504 6.087 50 10 JKGE COc1c(Br)cc(Cl)cc1[C@H](Cl)c1ccc(Br)cc1Cl 109794769 UFHPJDDPOVJKHO-CYBMUJFWSA-N 459.392 6.855 50 10 JKGE Clc1cccc([C@H](Br)c2cc3c(cc2Br)OCCO3)c1Cl 109865673 SKXKGKKZBSDOQY-AWEZNQCLSA-N 452.957 6.011 50 10 JKGE Clc1cc([C@@H](Br)Cc2cccc(Br)c2)sc1Br 127518474 MGUUWRWFCMTULN-VIFPVBQESA-N 459.428 6.605 50 10 JKGE Cc1cc(Cl)c(-n2c(CCl)nc3cc(I)ccc32)cc1Cl 128355610 ITSHTDVLRIOQTI-UHFFFAOYSA-N 451.522 5.984 50 10 JKGE Fc1ccc([C@@H](Cl)c2cc(Br)c(Br)s2)cc1Br 128880114 MCYQDUKXQKBPBW-SNVBAGLBSA-N 463.391 6.503 50 10 JKGE COc1cc(C)c(Br)cc1[C@@H](Cl)c1cc(Br)ccc1Br 161109457 VZFOLNYMIUQLPN-HNNXBMFYSA-N 483.425 6.619 50 10 JKGE BrCc1nnc(-c2cc(Br)ccc2Br)n1-c1ccccc1 161340756 ODNWELRDQSSFFB-UHFFFAOYSA-N 471.978 5.354 50 10 JKGE CP(c1ccccc1)c1cccc2c1Oc1c(P(C)c3ccccc3)cccc1C2(C)C 202009507 HSZSXCOFXRFNGW-UHFFFAOYSA-N 454.490 6.243 50 10 JKGE Cc1ccc(N/C=C(/C#N)C(=O)Nc2ccc(Cl)c(C(F)(F)F)c2)c(Br)c1 217250549 AXRGKRRFEIHGJN-LUAWRHEFSA-N 458.665 5.888 50 10 JKGE COc1cc(C)c([C@H](Br)c2cc(Br)sc2Br)cc1OC 234924114 XPAKEVJRTFOCGM-ZDUSSCGKSA-N 485.035 6.083 50 10 JKGE Clc1ccc(C[C@@H](Cl)c2cc(Br)ccc2I)cc1Cl 236028312 WPBNCQDQKHLDCA-GFCCVEGCSA-N 490.393 6.883 50 10 JKGE Fc1ccc([C@H](Br)Cc2cccc(Br)c2)c(I)c1 236240891 WHHUKAYIVYVZER-CYBMUJFWSA-N 483.944 5.872 50 10 JKGE COc1ccc(C=NNC(=O)C(C)(C)Oc2ccc(Cl)cc2)cc1COc1cccc(C)c1C 252597062 COQGIBSEBWWYOT-UHFFFAOYSA-N 480.992 5.852 50 10 JKGE CCCOc1ccc(C(=O)Oc2ccc(C=NNC(=O)COc3ccc4ccccc4c3)cc2)cc1 254478436 WYBBEVUASSQUCJ-UHFFFAOYSA-N 482.536 5.377 50 10 JKGE Brc1cc([C@@H](Br)C(C2CCC2)C2CCC2)sc1Br 310607633 AAIKSICFVLJYQQ-CYBMUJFWSA-N 457.069 6.926 50 10 JKGE C[C@H](Cl)C[C@H]1CCCCN1C(=O)c1cc(I)ccc1Br 312954762 LNLYBEJTWGNZEG-CMPLNLGQSA-N 470.576 5.066 50 10 JKGE O=C(OCc1ccccc1)N1C[C@H](CI)[C@H](c2cc(Cl)ccc2Cl)C1 382739168 YORHEJOYPCNAFA-WMLDXEAASA-N 490.168 5.781 50 10 JKGE C[C@H](Cc1cc(=O)c2c3c(c4ccccc4c2o1)O[C@H]1CC(=O)O[C@@H]31)O[Si](C)(C)C(C)(C)C 504454688 JGZYPNASVFRGCR-IKSRFOEDSA-N 466.606 5.648 50 10 JKGE CC(C)(C)[Si](C)(C)OCc1cccc([C@@H]2CCc3ccccc3N2S(=O)(=O)c2ccccc2)c1 616670599 XCRIYPCFRHWELT-MHZLTWQESA-N 493.745 7.091 50 10 JKGE Brc1ccc([C@H](Br)c2cc(Br)c3c(c2)CCCO3)o1 689530913 ZIEUXYZMWBWLPU-CYBMUJFWSA-N 450.952 5.614 50 10 JKGE Fc1cc([C@@H](Br)c2scc(Br)c2Br)c(F)c(F)c1F 705473617 AXSOVBVIIJWLEH-ZCFIWIBFSA-N 482.916 6.314 50 10 JKGE Fc1cccc(C(CBr)(CBr)Cc2ncc(Br)s2)c1 713639486 PUYONBAVGIAOHM-UHFFFAOYSA-N 472.015 5.315 50 10 JKGE Clc1cccc(COc2c(Br)cccc2CBr)c1Br 719383217 JQKMJFZRYHQFPV-UHFFFAOYSA-N 469.398 6.339 50 10 JKGE Cc1ccc(NC(=O)[C@@H](c2cccs2)N(C(=O)CCl)c2cccc(C(F)(F)F)c2)cc1 725238414 SHQGXHAQUNXJBR-HXUWFJFHSA-N 466.912 6.027 50 10 JKGE CCOc1cc(C=NNC(=O)COc2ccc(Cl)cc2)ccc1OCc1cccc2ccccc12 1083849916 ZYYKMHHVFXLUAL-UHFFFAOYSA-N 488.971 6.000 50 10 JKGE COc1cccc(C=NNC(=O)c2ccc(Cl)c(Cl)c2)c1OCc1ccccc1Cl 1084294091 GTZPGLFTSYTWLL-UHFFFAOYSA-N 463.748 5.998 50 10 JKGE O=C(CSc1nc2ccccc2s1)NN=Cc1ccc(OCc2cccc3ccccc23)cc1 1084599923 IMOXVSYKKVWJCM-UHFFFAOYSA-N 483.618 6.271 50 10 JKGE FC(F)(F)Oc1ccc([C@H]2CN(Cc3ccccc3)C[C@H]2CI)cc1 1614613242 FCZPXHGFELJMLT-SJLPKXTDSA-N 461.265 5.236 50 10 JKGE CCN(C(=O)c1oc2c(c1C)C(=NNC(=O)Cc1coc3c(C)c(C)ccc13)CCC2)c1ccccc1 1772751895 PLVHOHNBPNSBIC-UHFFFAOYSA-N 497.595 6.017 50 10 JKGE CCCc1nn(Cc2cc(C)ccc2C)c2c1[C@H](c1ccc(Cl)c(Cl)c1)C(C#N)=C(N)O2 1865686504 XAVAOLGAYQDMEG-JOCHJYFZSA-N 467.400 6.026 50 10 JKGE CCCOc1c(OC)cccc1[C@H]1C(C#N)=C(N)Oc2c1c(CCC)nn2-c1ccccc1Cl 1865692098 AOEDBDHNZHVCCI-QFIPXVFZSA-N 478.980 5.494 50 10 JKGE CCCOc1c(OC)cccc1[C@@H]1C(C#N)=C(N)Oc2c1c(C)nn2-c1ccc(Cl)c(Cl)c1 1865693143 MHZPPLQGPMNGHI-OAQYLSRUSA-N 485.371 5.503 50 10 JKGE CCCc1nn(Cc2ccc(F)cc2)c2c1[C@@H](c1ccc(OC(C)C)c(OC)c1)C(C#N)=C(N)O2 1865696994 MTCZYCHQTZMZPS-DEOSSOPVSA-N 476.552 5.037 50 10 JKGE COc1cccc([C@@H]2C(C#N)=C(N)Oc3c2c(-c2ccccc2)nn3C)c1OCc1cccc(C)c1 1865705345 STDPBWKKSUJNOZ-XMMPIXPASA-N 478.552 5.201 50 10 JKGE CCCc1nn(-c2ccc(Cl)c(Cl)c2)c2c1[C@H](c1cccc([N+](=O)[O-])c1)C(C#N)=C(N)O2 1865705943 KCCUBSMAYMLXIV-LJQANCHMSA-N 470.316 5.258 50 10 JKGE COc1ccc(-c2nn(Cc3ccccc3Cl)c3c2[C@H](c2ccccc2O)C(C#N)=C(N)O3)cc1 1865708202 QNMGQOWORHKNOR-HSZRJFAPSA-N 484.943 5.184 50 10 JKGE CCCC[C@H](NC(=O)[C@H](Cc1ccncc1)c1ccccc1)C(=O)Nc1ccc(SC#N)cc1 1866703719 WKIGVQMYVVFYRP-RPBOFIJWSA-N 472.614 5.295 50 10 JKGE CC(C)c1nc(Nc2ccc(SC#N)cc2)cc(N2CCN(CCCc3cccc(F)c3)CC2)n1 1868231954 YBQOHWWFEJHWDX-UHFFFAOYSA-N 490.652 5.811 50 10 JKGE N#C/C(=C(/O)c1ccc(N2CCCC2)c([N+](=O)[O-])c1)c1nc(-c2ccc3c(c2)CCCC3)cs1 1872745432 MRHSBKURSRUTJJ-DAFNUICNSA-N 472.570 6.147 50 10 JKGE CCCOc1ccc(-c2csc(/C(C#N)=C(\O)c3c(Cl)ccc(Cl)c3Cl)n2)cc1 1872749794 IOGBWTHZWVMPFN-ZHZULCJRSA-N 465.789 7.509 50 10 JKGE COc1ccc(OCCC/C(O)=C(\C#N)c2nc(-c3ccc4c(c3)OCCO4)cs2)cc1 1872751200 WHYCWXJBWRGPOA-VZCXRCSSSA-N 450.516 5.242 50 10 JKGE COc1ccc(C/C(O)=C(\C#N)c2nc(-c3cc(OC)c(Cl)cc3OC)cs2)c(OC)c1 1872755125 ZDZDNEDXOVLROM-MNDPQUGUSA-N 472.950 5.533 50 10 JKGE Brc1cc(Br)cc(CO[C@H]2CCC[C@@H]2I)c1 1900372137 IDAUVPORXFIGQZ-RYUDHWBXSA-N 459.947 5.084 50 10 JKGE Fc1c(Br)ccc(CN(Cc2ccccc2)[C@@H](CBr)C2CC2)c1F 1915164062 QKNIVPOHJBWFHZ-KRWDZBQOSA-N 459.172 5.903 50 10 JKGE C[C@H](c1ccncc1Br)[C@@H](Br)c1ccccc1I 1924035148 ZIRLGJPVCAYUMO-YMTOWFKASA-N 480.969 5.688 50 10 JKGE Cl[C@@H](c1c(Br)sc(Br)c1Br)[C@H]1CCc2ccccc2C1 1924599016 ALLYBEOEOWZZGM-GXFFZTMASA-N 499.493 7.121 50 10 JKGE CC1(C)C[C@H]([C@@H](Cl)c2c(Br)sc(Br)c2Br)C(C)(C)O1 1924611697 DXROTMBDHKRFLJ-HZGVNTEJSA-N 495.502 6.909 50 10 JKGE CC1(C)[C@H]2CC[C@@H](C2)[C@@H]1[C@H](Cl)c1c(Br)sc(Br)c1Br 1924615400 AEVFKSXSIDQUIW-RHXIMWGOSA-N 491.514 7.388 50 10 JKGE Cl[C@@H](c1cccc2c1CCCC2)c1c(Br)sc(Br)c1Br 1924617116 XVRMRZYZMZRUPZ-ZDUSSCGKSA-N 499.493 7.243 50 10 JKGE CC(C)[C@H](C)N(Cc1ccccc1)c1c(CBr)ccc(Br)c1Cl 1939327439 BPARWJNTTJJQQY-AWEZNQCLSA-N 459.653 7.049 50 10 JKGE CCc1sc(Br)cc1[C@@H](Br)c1cc(Br)c(Cl)s1 2004902949 SFRKUMIKEDCKGN-SNVBAGLBSA-N 479.484 7.035 50 10 JKGE C[C@]1(C(F)F)C[C@H]1[C@H](Cl)c1c(Br)sc(Br)c1Br 2008185062 AMLVMLNMEFQQMR-GRZGVKPESA-N 473.402 6.607 50 10 JKGE CCCc1ccc([C@H](Br)c2ccc(I)c(Cl)c2)s1 2027130664 HCABJWADPPGHOR-CQSZACIVSA-N 455.586 6.443 50 10 JKGE Cc1c(Cl)cccc1NC(SCc1ccc(C#N)cc1)=C(C#N)c1nc2ccccc2s1 2040469551 CBYTUZVUKHIYSD-UHFFFAOYSA-N 473.026 7.367 50 10 JKGE N#CC(=Cc1cccc(C(F)(F)F)c1)c1nc(CCN2C(=O)c3ccccc3C2=O)cs1 2040744357 SFQLXIPMUVNANY-UHFFFAOYSA-N 453.445 5.065 50 10 JKGE Brc1cc(Br)c([C@H](Br)[C@H]2C[C@H]2C2CCOCC2)s1 2079394582 YLXJJEOQMPOEMH-HOTUBEGUSA-N 459.041 5.772 50 10 JKGE Cc1sc(Br)c([C@H](Cl)c2ccc(F)cc2I)c1C 2082872482 BIRUAZXOOKMJLS-GFCCVEGCSA-N 459.549 6.199 50 10 JKGE FC(F)(F)C1CC([C@H](Br)c2ccc(Br)cc2Br)C1 2083324073 YXWGRHCEDBHDFY-OGIFLDNPSA-N 450.918 6.236 50 10 JKGE Fc1cc(F)c([C@H](Br)c2cccc(Br)c2Br)cc1F 2092328763 OTJHUJSXHDXBAM-GFCCVEGCSA-N 458.897 6.113 50 10 JKGE CCC(CC)[C@H](Br)CNC(=O)c1c(Br)cccc1Br 2094088588 MWIQDQHQBDHVBV-GFCCVEGCSA-N 456.016 5.141 50 10 JKGE CCOc1ccc([C@@H](Br)c2cc(Br)sc2C)cc1Br 2095699614 QHISXZISDGCTAX-CQSZACIVSA-N 469.036 6.465 50 10 JKGE Clc1ccc(I)c(C[C@@H]2CCCCCCC[C@@H]2Br)c1 2112487555 HOTUXKYGPHNZJS-WFASDCNBSA-N 455.605 6.611 50 10 JKGE Fc1c(Br)ccc(C[C@@H](Br)c2ccc(Br)cc2)c1F 2113494855 HGMTVHBTYIAXQH-GFCCVEGCSA-N 454.934 6.169 50 10 JKGE Brc1ccc(Br)c(C[C@@H]2C[C@@H]3CCCC[C@@H]3[C@H]2Br)c1 2118525919 ZHVNJLDRLDAQFT-ZAJUMQRFSA-N 451.040 6.344 50 10 JKGE C[C@@H]1CCC[C@@](CI)(OCc2cc(Cl)ccc2Br)C1 2135982671 HNFAYLWPBLJARX-IAQYHMDHSA-N 457.577 6.003 50 10 JKGE Cc1cc(Cl)c(Br)cc1[C@@H](Br)c1nn(C)c(Cl)c1Br 2137637036 KPOMTOLOFPEHBI-SECBINFHSA-N 491.836 6.045 50 10 JKGE Cc1oc(C)c([C@@H](Br)c2ccc(Br)c(C)c2Br)c1C 2138875717 IPFXWJWOPUCOMJ-HNNXBMFYSA-N 450.996 6.523 50 10 JKGE Cc1ccc([C@@H](Br)c2ccc(Br)c(C)c2Br)cc1F 2138876093 LZQPNBFNTAJPPG-OAHLLOKOSA-N 450.971 6.452 50 10 JKGE Clc1cc(CN2CC[C@H]3CC[C@H](Br)[C@H]2C3)ccc1I 2142948918 FNRBQSKJYPIIKQ-IFUGULHKSA-N 454.577 5.083 50 10 JKGE FC(F)(F)Oc1ccc([C@H](Br)c2sc(Cl)cc2Br)cc1 2154475365 KLVWURPRXYTAEU-JTQLQIEISA-N 450.501 6.547 50 10 JKGE COc1cc([C@@H](Br)c2scc(C)c2Br)c(OC)cc1Br 2157036046 RYZZLAJMIFDUPF-CYBMUJFWSA-N 485.035 6.083 50 10 JKGE FC1(F)CCC2(CC1)C[C@@H]2[C@H](Cl)c1c(Br)sc(Br)c1Cl 2163395862 JYHQIFSPEYBHOH-SVRRBLITSA-N 469.016 7.422 50 10 JKGE CN(Cc1cc(Cl)ccc1I)C[C@@H](Br)C1CCCCC1 2167643207 MHGCLQNHPZLCTD-OAHLLOKOSA-N 470.620 5.720 50 10 JKGE COc1ccc(CC[C@@H](Br)c2ccc(Br)cc2)cc1Br 2169800006 XQTQGTIBKOOYQZ-CQSZACIVSA-N 463.007 6.289 50 10 JKGE Brc1ccc([C@@H](CI)O[C@@H]2CCOC3(CCC3)C2)cc1 2197366095 DIDWKSARVDMROF-HUUCEWRRSA-N 451.142 5.044 50 10 JKGE CSc1ccc([C@H](Br)c2c(C)c(Br)cc(C)c2Br)cc1 2201072730 VTISCRLSQZVFNE-INIZCTEOSA-N 479.075 7.035 50 10 JKGE O=S1(=O)C[C@@H]2CCC[C@]2([C@H](Cl)c2c(Br)sc(Br)c2Cl)C1 2201876260 KCPRKUKFTMRIRE-RMUHFYJVSA-N 483.074 5.421 50 10 JKGE O=S1(=O)C[C@@H]2CCC[C@@]2([C@@H](Cl)c2c(Br)sc(Br)c2Cl)C1 2201876263 KCPRKUKFTMRIRE-ZKQGETEISA-N 483.074 5.421 50 10 JKGE COc1cc(F)c([C@@H](Cl)Cc2ccccc2I)cc1Br 2202913552 NAKCHFKCZXXXHH-LBPRGKRZSA-N 469.519 5.724 50 10 JKGE Brc1ccc([C@H](Br)[C@H]2C[C@H]2C2CCCCCC2)c(Br)c1 2203683277 CSTJJTJQKQYYAO-ZOBUZTSGSA-N 465.067 7.254 50 10 JKGE COc1cc([C@H](Br)c2ccc(Br)c(C)c2Br)ccc1F 2203683294 CYHADNMTBGOBRC-HNNXBMFYSA-N 466.970 6.152 50 10 JKGE Cc1c(Br)ccc([C@H](Br)C[C@H](C(F)F)C(C)(C)C)c1Br 2203702962 HBSNSBXQGDIIDL-ZYHUDNBSSA-N 477.025 7.274 50 10 JKGE COc1c(C)cc(Br)cc1[C@H](Cl)c1ccc(I)c(Cl)c1 2206588151 XZOVESPLONAADA-CQSZACIVSA-N 485.974 6.352 50 10 JKGE Cc1cc(Br)c([C@@H](Br)[C@H]2C[C@H]3COC[C@H](C3)C2)cc1Br 2206761173 OYSOWYRWXZWZNF-BUWBCJGYSA-N 467.039 6.019 50 10 JKGE CCCCCCCCCCO[C@@](C)(CI)CNC(=O)OC(C)(C)C 2216919116 GWXBPBJARWUXND-IBGZPJMESA-N 455.421 5.862 50 10 JKGE Cc1cc(Br)c([C@H](Br)CCC(F)(F)F)c(C)c1Br 2220145194 CRGANBCOUILFFE-MRVPVSSYSA-N 452.934 6.607 50 10 JKGE Cc1cc(Br)c([C@@H](Br)c2nn(C)nc2Br)c(C)c1Cl 2226973711 CHUROHMMOPFMMQ-SECBINFHSA-N 472.406 5.095 50 10 JKGE COC[C@@H]1CC[C@H]([C@H](Br)c2c(Br)cc(Cl)c(Cl)c2Cl)C1 2232512416 TWUDAFHJUTWHKI-LWINAJNOSA-N 465.440 6.908 50 10 JKGE Cc1cc(Br)c([C@@H](Br)CC[C@@H]2CCCCO2)c(C)c1Br 2235605224 QQTPWFJKCYYIEB-STQMWFEESA-N 469.055 6.614 50 10 JKGE Cc1c(Br)cccc1CO[C@]1(CBr)CCCN(C(=O)OC(C)(C)C)C1 2256388423 IMFPOVKZHOUTJX-IBGZPJMESA-N 477.237 5.439 50 10 JKGE COc1c([C@H](Cl)c2sc(Br)c(C)c2Br)csc1Cl 2256855694 DOEWLWBYPSYKHI-ZETCQYMHSA-N 451.032 6.633 50 10 JKGE COc1c(Br)cc(Cl)cc1[C@H](Br)c1c(Br)cnn1C 2264356325 KXOKURLFKVYMKS-JTQLQIEISA-N 473.390 5.091 50 10 JKGE CC(C)C1([C@H](Br)c2c(F)cc(Br)c(F)c2Br)CCC1 2272848485 WNKJGLWIRMAGSA-CYBMUJFWSA-N 460.982 6.752 50 10 JKGE Cc1nn(C)c(Br)c1[C@@H](Cl)c1c(F)cc(Br)c(F)c1Br 2288359254 QECCURKVUUKIRF-SNVBAGLBSA-N 493.371 5.622 50 10 JKGE Cc1cc(Br)c([C@H](Br)[C@]23CCCC[C@H]2CC3)c(C)c1Br 2288973589 ZTIFYUPPNSCWQK-ZLIFDBKOSA-N 465.067 7.235 50 10 JKGE CCCOc1ccc(C=C(C#N)C(=O)Nc2ncc(Cc3ccccc3Cl)s2)cc1OC 2293039214 PXOYGLZWPLKVFX-UHFFFAOYSA-N 467.978 5.730 50 10 JKGE Cc1ccc(Cl)cc1NC(=O)C(C#N)=Cc1cn(CC(=O)Nc2ccc(F)cc2)c2ccccc12 2294171901 IGMGUJVIIYLLBQ-UHFFFAOYSA-N 486.934 5.927 50 10 JKGE COc1ccc(F)cc1[C@H](Br)Cc1cc(Br)cc(Br)c1 2295264937 LJZBMVKSCXLTKR-CQSZACIVSA-N 466.970 6.038 50 10 JKGE Fc1ccc([C@@H](Cl)Cc2cc(Br)cc(Br)c2)c(F)c1Br 2295273778 BXGCRHPXSPNFQE-NSHDSACASA-N 489.379 6.775 50 10 JKGE Brc1cc(Br)cc(C[C@H](Br)C(C2CCC2)C2CCC2)c1 2295337436 JXPDDJFNZPQZPB-INIZCTEOSA-N 465.067 6.734 50 10 JKGE COc1ccc([C@H](Br)c2cc3sc(Br)cc3s2)cc1Cl 2295494025 SFLMGNQVIMGGOI-AWEZNQCLSA-N 452.620 6.872 50 10 JKGE Cc1ccc(C)c(NC(SCc2ccccc2Cl)=C(C#N)S(=O)(=O)c2ccccc2)c1 2297350171 OHJCZDRVELZHBQ-UHFFFAOYSA-N 469.031 6.469 50 10 JKGE CC(C)(C)c1cc(C=NNC(=O)[C@@H]2CC2(c2ccccc2)c2ccccc2)cc(C(C)(C)C)c1O 2297672200 QJYLZPYHYJGWBR-SANMLTNESA-N 468.641 6.444 50 10 JKGE N[C@@H](c1c(Cl)cc(Br)c(F)c1Br)[C@H]1C[C@@H](Br)C1 2300182520 GUNCYNDKNGTRPW-QWMRMABFSA-N 450.371 5.177 50 10 JKGE BrCc1cccc(OCc2sccc2I)c1Br 2301069192 TZDOTNWPTMDJLT-UHFFFAOYSA-N 487.982 5.589 50 10 JKGE CC(C)(C)OC(=O)N1C[C@H](I)[C@H](OCCC2CCCCCCC2)C1 2302983852 LPBGVWCGTOQNFA-DLBZAZTESA-N 451.389 5.177 50 10 JKGE Cc1cc(C=C(C#N)C(=O)N2CCN(c3ccccc3)CC2)c(C)n1-c1cccc(Br)c1 2313567318 IVGVPOUJUMGDKS-UHFFFAOYSA-N 489.417 5.112 50 10 JKGE Cc1ccc(NC(=O)C(C#N)=Cc2cn(Cc3ccc(Cl)cc3Cl)c3ccccc23)c(C)c1 2313667581 QSUXDTRVDIGIOG-UHFFFAOYSA-N 474.391 7.159 50 10 JKGE N#CC(=Cc1ccc(OCc2ccccc2Cl)cc1)C(=O)Nc1cc([N+](=O)[O-])ccc1Cl 2313670822 YNYPRADHHCIUBI-UHFFFAOYSA-N 468.296 6.026 50 10 JKGE CC1(C)C[C@@H](C[C@H](Br)c2ccc(OCc3ccccc3)cc2Br)CO1 2314440855 TVGQQOGDTJQKIR-APWZRJJASA-N 468.229 6.669 50 10 JKGE Cc1ccc(C)c([C@@H](Br)c2cc(Br)ccc2OCc2ccccc2)c1 2314448891 LKONDHSRACQHAY-JOCHJYFZSA-N 460.209 7.129 50 10 JKGE CCCCCCOc1ccc(C=C(C#N)C(=O)Nc2ccc(Br)cc2)cc1OC 2314728478 FATSIIFYYGDYLC-UHFFFAOYSA-N 457.368 5.962 50 10 JKGE CCOc1ccc(NC=C(C#N)C(=O)Nc2ccccc2Sc2ccccc2)cc1OCC 2325338853 ABECGUGNJGKTAB-UHFFFAOYSA-N 459.571 6.093 50 10 JKGE COc1cc(C)c(-c2csc(C(C#N)=C(O)CCCOc3ccc(Cl)cc3)n2)cc1C 2331402876 AZFUNUZVNNYQHR-UHFFFAOYSA-N 454.979 6.741 50 10 JKGE COc1cc(Br)cc(C=C(C#N)c2nc(-c3ccc4c(c3)CCCC4)cs2)c1O 2331416827 PQLBYBSTGCBRIZ-UHFFFAOYSA-N 467.388 6.230 50 10 JKGE CCCCc1ccc(-c2csc(C(C#N)=Cc3cc(Br)c(O)c(OC)c3)n2)cc1 2331429446 XIXOXHPOUDFTQB-UHFFFAOYSA-N 469.404 6.694 50 10 JKGE COc1ccc(-c2csc(C(C#N)=Cc3ccc(OC(=O)c4ccccc4)cc3)n2)cc1C 2331429492 ANLPXILHRDCDFN-UHFFFAOYSA-N 452.535 6.411 50 10 JKGE COc1cccc(F)c1[C@@H](Br)c1ccc(OCc2ccccc2)cc1Br 2336051426 RQGVICLIQVMFAV-NRFANRHFSA-N 480.171 6.660 50 10 JKGE Cn1nc(Br)c(Br)c1[C@H](Cl)c1cc(Cl)c(Br)cc1F 2338862844 ZGAGMSGKNGIBGW-SECBINFHSA-N 495.799 5.828 50 10 JKGE Cc1cc(Br)c([C@H](Br)c2csc(C)c2Br)c(C)c1Cl 2343566145 HAORTVQVQKESOR-CYBMUJFWSA-N 487.482 7.336 50 10 JKGE Fc1cc(Cl)c(Br)c(Cl)c1[C@H](Cl)c1cc(Cl)ccc1Br 2360427574 AEBRDVOZCTXQSR-GFCCVEGCSA-N 481.801 7.639 50 10 JKGE CC(C)(C)OC(=O)N1CCC(CBr)(OCCCCC(F)(F)C(F)(F)F)CC1 2362727226 JWZKZPZBDWWPLU-UHFFFAOYSA-N 468.301 5.536 50 10 JKGE Cc1cc(Br)c(F)c(Br)c1[C@H](Br)Cc1ccc(F)cc1 2365215137 HNZNMGARFNVMMA-LLVKDONJSA-N 468.961 6.477 50 10 JKGE O=C(c1scc(Br)c1Br)N1C[C@@H]2C[C@@H](CBr)C[C@@H](C2)C1 2369320207 OCQJROGCTSHDKM-OWUUHHOZSA-N 486.067 5.156 50 10 JKGE Cc1nsc(Br)c1-n1c(CCl)nc2cc(Cl)c(Br)cc21 2380352580 WIPFUAKJXQGTJK-UHFFFAOYSA-N 455.990 5.708 50 10 JKGE CC(C)COc1ccc(Br)cc1C(=O)NNC(=O)c1sc2ccccc2c1Cl 14666930 BWWSVQBFLLSFJJ-UHFFFAOYSA-N 481.799 5.427 50 10 JKGE COc1cc(/C=C(/C#N)c2ccc(Cl)cc2)ccc1OC(=O)COc1ccc(Cl)cc1Cl 31902149 ZJLRYKXNNLTCPQ-YVLHZVERSA-N 488.754 6.704 50 10 JKGE Cc1cc(/C=C(C#N)\C(O)=N\c2ccc([N+](=O)[O-])cc2Br)c(C)n1-c1cccc(Cl)c1 33560809 BDIWNMGUEHCFFM-SXGWCWSVSA-N 499.752 6.613 50 10 JKGE Cc1cccc(Oc2nc3c(C)cccn3c(=O)c2/C=C(\C#N)c2nc3ccccc3s2)c1C 33588001 JUKFRDJVQRQOFF-XMHGGMMESA-N 464.550 6.086 50 10 JKGE N#C/C(=C/Nc1ccc2c(C(F)(F)F)cc(=O)oc2c1)c1nc(-c2ccc(Cl)cc2)cs1 33932024 SBRXZNLGJWAAKO-RAXLEYEMSA-N 473.863 6.565 50 10 JKGE COc1ccc(-c2nn(-c3ccccc3)cc2/C=C(/C#N)C(=O)Nc2ccc(C)cc2)cc1F 34849098 BABZOWKKQRYPGC-ZHZULCJRSA-N 452.489 5.541 50 10 JKGE Cc1ccc2c(O)nc(/C(C#N)=C/c3cn(-c4ccccc4)nc3-c3cccc4ccccc34)nc2c1 35519281 WAEVMDUKTAJRMB-OQKWZONESA-N 479.543 6.714 50 10 JKGE CCCCN1C(=O)N[C@@H](c2cccc(NC(=O)[C@H](C)Cl)c2)C(C(=O)OCC)=C1c1ccccc1 35710838 VGCWDBDTVIRNDM-JTSKRJEESA-N 483.996 5.093 50 10 JKGE CCCCOc1ccccc1C(=O)Oc1ccc2c(c1)OC(N)=C(C#N)[C@H]2c1ccc([N+](=O)[O-])cc1 38655028 MLPIZQWYEICDJK-VWLOTQADSA-N 485.496 5.211 50 10 JKGE COc1ccc(C(=O)NNC(=O)CCCc2c(-c3ccc4ccccc4n3)[nH]c3ccc(F)cc23)cc1 39867634 SHZNGKOEROSQOA-UHFFFAOYSA-N 496.542 5.315 50 10 JKGE CCN(c1ncnc(NNC(=O)COc2ccc(Cl)cc2Cl)c1N)c1cccc2ccccc12 40702089 FVOKRMRBOIOVBY-UHFFFAOYSA-N 497.386 5.199 50 10 JKGE COc1cccc(C(=O)N/N=C2\CCCc3oc(C(=O)Oc4ccc(Cl)c(C)c4)c(C)c32)c1 40822481 CNDCLFPRPGAMIR-NHFJDJAPSA-N 466.921 5.248 50 10 JKGE COc1cc(Br)cc(/C=C(\C#N)C(=O)Nc2cccc(Cl)c2Cl)c1OC 59336360 FJNYOAMNZRETJU-IZZDOVSWSA-N 456.123 5.319 50 10 JKGE O=C(N/N=C(/CSc1nc2ccccc2s1)c1ccc(F)cc1)c1ccccc1Cl 59460709 VDOYEENSRCNQGQ-XHPQRKPJSA-N 455.967 6.015 50 10 JKGE CC(C)Cc1ccc([C@H](C)C(=O)NNC(=O)CCCOc2ccc(Cl)cc2Cl)cc1 66199278 YLVJOODOBAUALJ-INIZCTEOSA-N 451.394 5.302 50 10 JKGE C/C(=N/NC(=O)c1ccc(NS(=O)(=O)c2cccs2)cc1)c1ccc(Cl)cc1Cl 89262750 WJQFPIQPNZUXAY-UUYOSTAYSA-N 468.387 5.010 50 10 JKGE CCOc1cc(/C=C(/C#N)C(=O)Nc2ccc([N+](=O)[O-])cc2O)ccc1OCc1ccc(C)cc1 96401913 ICWQZPUIJGZARM-NDENLUEZSA-N 473.485 5.132 50 10 JKGE COc1cc(/C=C(/C#N)c2ccc(Cl)cc2)c(Br)cc1OCc1ccc(F)cc1 96471417 BXGGJTKNWDBXGP-ZDLGFXPLSA-N 472.741 6.893 50 10 JKGE Brc1ccc(O[C@@H]2C[C@H](Br)C23CCCCC3)c(Br)c1 97647334 JEZCSLZDOBAGOQ-UONOGXRCSA-N 453.012 6.077 50 10 JKGE N#C/C(=C/Nc1ccc(Br)cc1)c1nc(-c2cc3cc([N+](=O)[O-])ccc3oc2=O)cs1 100480650 BIFMXYZNAPUQMW-RAXLEYEMSA-N 495.314 5.564 50 10 JKGE COc1ccc([C@H](Br)c2ccc(Br)c(F)c2)cc1Br 104024917 SSIRZOPXJRICOB-AWEZNQCLSA-N 452.943 5.844 50 10 JKGE Fc1ccc(CC(CBr)(CBr)c2ccccc2F)c(Br)c1 118878418 XXCPZFGZHIMUSN-UHFFFAOYSA-N 482.988 5.998 50 10 JKGE COc1c(C)cc(Br)c(C)c1[C@@H](Br)c1ccc(Cl)cc1Cl 125741984 HAHYVQPJHOEIBB-HNNXBMFYSA-N 453.001 6.866 50 10 JKGE Cc1sc(-c2ccccc2)nc1C(=O)N/N=C\c1ccc(OC(C)C)c(Br)c1 169927231 SQZPCUSKFFVCNY-FMCGGJTJSA-N 458.381 5.432 50 10 JKGE Clc1sc([C@@H](Br)c2sccc2Br)cc1Br 227844925 KFSQWNVHPUBYJB-SSDOTTSWSA-N 451.430 6.472 50 10 JKGE Cl[C@@H](c1cc(Br)sc1Br)c1ccc(Br)c2ccccc12 236031074 SJJYOZFRFQLAOD-CQSZACIVSA-N 495.461 7.517 50 10 JKGE CC(=NNC(=O)c1sc2ccccc2c1Cl)c1ccc(NC(=O)C2CCCCC2)cc1 254443576 AMYOPHXYLKWUDR-UHFFFAOYSA-N 453.995 6.228 50 10 JKGE COc1ccc(C(=O)Oc2ccc3ccccc3c2C=NNC(=O)COc2ccc(C)c(C)c2)cc1 254799468 XWATUDRZACYRFJ-UHFFFAOYSA-N 482.536 5.214 50 10 JKGE CCCCOc1ccc(C=NNC(=O)CSc2nnc(-c3ccccc3)s2)cc1OCC 256028387 JCXKSHVZSWQMLD-UHFFFAOYSA-N 470.620 5.025 50 10 JKGE Brc1ccc([C@@H](Br)c2cc(I)cc3c2OCC3)cc1 311509378 BSGITMJJWALPKQ-CQSZACIVSA-N 493.964 5.473 50 10 JKGE Brc1cccc2c([C@@H](Br)c3ccc(OCc4ccccc4)cc3)csc12 311856456 JLWSZOYINXWUKS-NRFANRHFSA-N 488.244 7.727 50 10 JKGE C[C@@H](Cl)c1nc2cc(I)ccc2n1C[C@]1(C)CCN(Cc2ccccc2)C1 312570828 ZHXWXBKVDAWCJV-OPAMFIHVSA-N 493.820 5.853 50 10 JKGE C[C@@H](Cl)c1nc2cc(Br)c(F)cc2n1CC[C@@H](C)N(C)Cc1ccccc1 379600989 ATFWNGZAEGJTLW-HUUCEWRRSA-N 452.799 6.148 50 10 JKGE CC(C)(C)OC(=O)N1C[C@H](CI)[C@H](c2cc(Cl)cc(Cl)c2)C1 382684458 BCOGMWAAZABMND-FZMZJTMJSA-N 456.151 5.379 50 10 JKGE CN(C[C@@H]1CCN(Cc2ccccc2)C1)c1cccc(Br)c1CBr 394697319 GFMOLIDPUYSCEA-KRWDZBQOSA-N 452.234 5.302 50 10 JKGE Cc1cc(F)c([C@@H](Cl)c2cc(I)ccc2Br)cc1C 395886360 JFOQYLAXFKVLSJ-HNNXBMFYSA-N 453.520 6.138 50 10 JKGE CC(C)(C)[Si](C)(C)OCc1ccc([C@@H]2COCCCN2S(=O)(=O)c2ccccc2)cc1 616599456 VKTFQGJGVZKHBO-QHCPKHFHSA-N 461.700 5.361 50 10 JKGE Fc1cccc([C@H](Br)Cc2c(F)cccc2Cl)c1I 721735026 DSPGWFDTTSREQA-SNVBAGLBSA-N 457.483 5.902 50 10 JKGE Cc1cccc(NC(=O)/C(C#N)=C\c2cc(Br)ccc2OCc2ccccc2F)c1 725380950 FDRWTPSOWKSPBX-UNOMPAQXSA-N 465.322 6.021 50 10 JKGE O=C(CCC(=O)Nc1ccc(Cl)cc1Cl)NN=Cc1ccccc1OCc1ccccc1 1083987297 JOWHJKYVNAWRHF-UHFFFAOYSA-N 470.356 5.441 50 10 JKGE Cc1ccc(NC(=O)/C(C#N)=C\c2cc(Br)ccc2OCc2ccccc2F)cc1C 1084399864 UEOAWGHLEQDTJN-NDENLUEZSA-N 479.349 6.330 50 10 JKGE CCOc1cc([C@@H]2C(C#N)=C(N)Oc3c2c(CC)nn3Cc2ccc(Cl)c(Cl)c2)ccc1O 1865681673 SSYVNJJWPKMRIW-OAQYLSRUSA-N 485.371 5.123 50 10 JKGE N#CC1=C(N)Oc2c(c(-c3ccccc3)nn2Cc2cccc(F)c2)[C@@H]1c1ccc(Cl)c(Cl)c1 1865685729 MCRJJWKRIQXFNM-JOCHJYFZSA-N 491.353 6.262 50 10 JKGE CCOc1ccc([C@H]2C(C#N)=C(N)Oc3c2c(CC)nn3-c2ccc(Cl)c(Cl)c2)cc1OCC 1865689423 RTKRCMQTPYEYSO-QFIPXVFZSA-N 499.398 5.757 50 10 JKGE CCCc1nn(Cc2ccc(C)cc2)c2c1[C@H](c1cc(Br)ccc1F)C(C#N)=C(N)O2 1865702493 WBTKHMLEPRPTJU-OAQYLSRUSA-N 481.369 5.312 50 10 JKGE N#CC1=C(N)Oc2c(c(C(F)(F)F)nn2Cc2ccc(Cl)cc2)[C@@H]1c1ccc(C(F)(F)F)cc1 1865710595 CEWONIJVRGRLSC-MRXNPFEDSA-N 498.814 5.841 50 10 JKGE COc1ccc([C@@H](CC(=O)N[C@H](CCSC)C(=O)Nc2ccc(SC#N)cc2)C(C)C)cc1C 1866773543 ZQKXLAMMDDHMRN-XZOQPEGZSA-N 499.702 5.583 50 10 JKGE CC(C)C[C@H](C(=O)N[C@@H](C)C(=O)Nc1ccc(SC#N)cc1)c1cccc(Br)c1 1867198053 OILBBQQQSUKOJE-YWZLYKJASA-N 474.424 5.295 50 10 JKGE Cc1c(/C(O)=C(\C#N)c2nc(-c3ccc(C(C)(C)C)cc3)cs2)cc([N+](=O)[O-])cc1[N+](=O)[O-] 1872751263 ZFMBODUMLVSKSZ-UZYVYHOESA-N 464.503 6.182 50 10 JKGE CCCOc1ccc(-c2csc(/C(C#N)=C(O)/C(C#N)=C/c3ccccc3)n2)cc1OCCC 1872818261 UFQGMTPZUOIHED-RUXPXOEYSA-N 471.582 6.788 50 10 JKGE CCCCC(=O)N/N=C/c1cn(-c2ccccc2)nc1-c1ccc(OCc2ccc(Cl)cc2)cc1 1873498435 MGTPXMYLPHONDI-UXHLAJHPSA-N 487.003 6.412 50 10 JKGE CCc1cccc(C)c1N1C[C@@H](/C(O)=C(\C#N)c2nc(-c3cc(OC)ccc3OC)cs2)CC1=O 1873920821 KPOOBQBAEBFTJJ-LECRTAGSSA-N 489.597 5.544 50 10 JKGE ClCC[C@@H](COCc1ccccc1)NCc1ccc(I)c(Cl)c1 1902902249 OEVABHLSWQLAFF-INIZCTEOSA-N 464.174 5.249 50 10 JKGE C[C@H](Br)CN(Cc1ccccc1)C(=O)c1cc(Br)sc1Br 1914662710 ZJLXDHZARFPFCV-JTQLQIEISA-N 496.062 5.699 50 10 JKGE Cc1c(Br)sc([C@@H](Br)c2csc(Cl)c2)c1Br 1922893815 HTUWDZNSXQUUHS-QMMMGPOBSA-N 465.457 6.781 50 10 JKGE Cl[C@@H](Cc1ccccc1Br)c1sc(Br)cc1Br 1922896093 BUJGHVFLUOLOON-JTQLQIEISA-N 459.428 6.558 50 10 JKGE Cc1c(Br)sc([C@H](Br)CCC2CCCCC2)c1Br 1922946435 QXPPOMRAYKRIFN-LLVKDONJSA-N 459.085 7.378 50 10 JKGE Clc1c(Br)sc(Br)c1[C@@H](Br)[C@@H]1CC12CCCC2 1923075289 ZIXKIXJGIARYTI-XPUUQOCRSA-N 463.460 6.943 50 10 JKGE Brc1ccc(Br)c([C@@H](Br)Cc2ccncc2Br)c1 1924052866 PHVVRHNYKJPPOQ-LBPRGKRZSA-N 498.838 6.048 50 10 JKGE CCc1sc(Br)cc1[C@H](Cl)c1cc(Br)sc1Br 1943037585 UFMFHFZBJXVHJT-JTQLQIEISA-N 479.484 6.988 50 10 JKGE Cc1cc(Br)sc1[C@@H](Cl)c1ccc(I)c(Cl)c1 1950206967 BCMCBVRDHWFAJY-NSHDSACASA-N 461.977 6.405 50 10 JKGE O=S(=O)(c1cc(CBr)sc1Br)N(Cc1ccccc1)C1CCC1 1984650009 SSJLOVRVFALDPE-UHFFFAOYSA-N 479.259 5.149 50 10 JKGE Cc1ccc(Br)c(C(=O)N(Cc2ccccc2)C2(CBr)CCC2)n1 2003266349 FXFXDXRPBPTVDY-UHFFFAOYSA-N 452.190 5.113 50 10 JKGE Clc1c(Br)sc(Br)c1[C@H](Br)[C@H]1C2C[C@@H]3C1[C@@H]3C2 2016553132 RCRKZVNJFWGRKM-RBSSIKTHSA-N 461.444 6.265 50 10 JKGE O=C(c1csc(Br)c1Br)N1CCC[C@H]1CCCBr 2032954019 UWYKPHSSYWHQOQ-MRVPVSSYSA-N 460.029 5.053 50 10 JKGE Cc1cc([C@@H](Br)c2cc(Cl)c(C)c(Br)c2)sc1Br 2048503607 NEZUPDHWFPQRPH-LBPRGKRZSA-N 473.455 7.028 50 10 JKGE BrCC(=Cc1ccc(OCc2ccccc2)c(OCc2ccccc2)c1)C1CCCCC1 2071252351 NXGIQEWVJIZYAD-UHFFFAOYSA-N 491.469 8.203 50 10 JKGE CC(C)(C)OC(=O)N1CC[C@@]2(CCC[C@@H](CI)O2)CC12CCCCC2 2074143642 CHPGFDIDLKGJCN-JXFKEZNVSA-N 463.400 5.463 50 10 JKGE CC(C)(C)c1ccc(Cn2nc(CBr)c(Br)c2C(F)(F)F)cc1 2079233157 OGADIUFLBOYVIG-UHFFFAOYSA-N 454.128 5.905 50 10 JKGE Clc1cccc(Cl)c1[C@@H](Br)c1ccc(Br)cc1Br 2083339029 PFAWYSOIGKUDOA-ZDUSSCGKSA-N 473.817 7.003 50 10 JKGE Cc1c(Br)cc(CCl)cc1S(=O)(=O)N(Cc1ccccc1)CC(C)(C)C 2095917659 IOZDMNJBMFYNSW-UHFFFAOYSA-N 458.849 5.733 50 10 JKGE Fc1c(Cl)cccc1C[C@@H](Cl)c1c(Br)sc(Br)c1Cl 2113470995 PKBZNCLQNFAZNR-SSDOTTSWSA-N 467.412 7.242 50 10 JKGE BrCc1cc(Br)cc(Br)c1OCC[C@]12CCC[C@H]1C2 2125595008 FRRMRHABIJFDAY-NHYWBVRUSA-N 453.012 6.066 50 10 JKGE FC(F)(F)c1cc([C@H](Br)c2ccc(Br)cc2Br)cs1 2138849804 KGFOZYNGBSRHBO-NSHDSACASA-N 478.953 6.776 50 10 JKGE O=C(N[C@@H](CCBr)C1CCCC1)c1cccc(Br)c1Br 2148770356 OIXFYGSPFQHYHK-ZDUSSCGKSA-N 468.027 5.285 50 10 JKGE Cn1nc([C@H](Br)c2ccc(Br)c3ccccc23)cc1Br 2150478296 IZEZCFXTCPXWGP-OAHLLOKOSA-N 458.979 5.583 50 10 JKGE C[C@@H]1[C@@H](n2c(CCCl)nc3cc(Br)c(Cl)cc32)CCN1Cc1ccccc1 2159873404 GTUXPNXLTLQBFM-KUHUBIRLSA-N 467.238 6.069 50 10 JKGE C[C@H]1C[C@@H](n2c(CCl)nc3cc(Br)c(Cl)cc32)CN(Cc2ccccc2)C1 2184259789 CZZNXUCZAOTNGL-GOEBONIOSA-N 467.238 6.274 50 10 JKGE O=C(N[C@H](CBr)[C@H]1CC=CCC1)c1c(Br)cccc1Br 2196144652 YEGSDDSQFCMFRX-GXFFZTMASA-N 466.011 5.061 50 10 JKGE COc1cc(C)c([C@H](Cl)Cc2ccccc2I)cc1Br 2198735867 XSZJRMRCAWEOHY-CQSZACIVSA-N 465.556 5.893 50 10 JKGE COc1ccc([C@H](Br)c2c(C)c(Br)cc(C)c2Br)cc1 2201073619 NKHYZYADEFKHOQ-INIZCTEOSA-N 463.007 6.321 50 10 JKGE Cc1cc(Br)c(C)c([C@@H](Br)Cc2ccc(F)cc2)c1Br 2201073862 OSPUMXSTDIHHSN-AWEZNQCLSA-N 464.998 6.646 50 10 JKGE Cc1cc(Br)c(C)c([C@@H](Cl)c2ccc(F)cc2Br)c1Br 2201080537 ZDJDWQWWMACMJM-HNNXBMFYSA-N 485.416 7.058 50 10 JKGE Cc1cc(Br)c([C@H](Br)[C@@H]2C[C@H]3COC[C@H](C3)C2)cc1Br 2206761174 OYSOWYRWXZWZNF-KZTGVZKYSA-N 467.039 6.019 50 10 JKGE Cc1cc([C@@H](Br)c2ccc(-c3cccs3)s2)ccc1I 2207097229 OVPRBKFNRWKBGO-MRXNPFEDSA-N 475.214 6.874 50 10 JKGE Cc1cc(Br)c([C@@H](Br)[C@H](C)CC(F)(F)F)c(C)c1Br 2227354969 LMPZIILLJATBAR-KRTXAFLBSA-N 466.961 6.853 50 10 JKGE Fc1cc(F)c([C@H](Br)c2ccccc2Br)c(F)c1Br 2227808506 MTAQFGOUIRPRJI-LLVKDONJSA-N 458.897 6.113 50 10 JKGE CCN(C[C@](C)(CI)OC1CCC(C(F)(F)F)CC1)C(=O)OC(C)(C)C 2231389011 FTCAWRRAIIBRBD-KVULBXGLSA-N 493.348 5.575 50 10 JKGE Brc1cc([C@H](Br)c2ccc([C@H]3CCOC3)s2)c(Br)s1 2231738162 KBWOCWMDWSNHLW-MADCSZMMSA-N 487.076 6.323 50 10 JKGE Clc1cc(Cl)cc(C[C@H](Br)c2ccc(I)c(Cl)c2)c1 2232146427 OVASLKRUNCEJLO-LBPRGKRZSA-N 490.393 6.930 50 10 JKGE Cc1cc(Cl)cc([C@@H](Br)c2c(Br)cc(Cl)c(Cl)c2Cl)c1 2232514437 VCAODDXHJULXOT-GFCCVEGCSA-N 477.838 7.855 50 10 JKGE Clc1cc(Br)c([C@@H](Br)C23CCC(CC2)OC3)c(Cl)c1Cl 2232516658 LKRNPSLVDPXQPV-MBWFCSIISA-N 463.424 6.805 50 10 JKGE CCOCc1cc(Br)c([C@H](Cl)c2ccc(Cl)c(Br)c2)s1 2233009258 MZRKUOFWJTTXBO-CYBMUJFWSA-N 459.030 6.791 50 10 JKGE Cc1cc(Br)c([C@@H](Br)[C@H](CC(C)C)C(C)C)c(C)c1Br 2235613894 CAKOKTLJAHPJBE-DYVFJYSZSA-N 469.099 7.583 50 10 JKGE Brc1cc([C@@H](Br)C[C@@H]2CCCCC23CC3)sc1Br 2253869182 IXMGSWYYVRVYMP-UWVGGRQHSA-N 457.069 7.070 50 10 JKGE Cc1c(Br)sc([C@H](Br)C[C@@H]2CCCC23CC3)c1Br 2255264814 WFZYEHWYAMMFPF-VHSXEESVSA-N 457.069 6.988 50 10 JKGE COCc1cc(Br)c([C@H](Cl)c2ccc(Cl)c(I)c2)s1 2268272382 CNJLYECUHKLEEK-GFCCVEGCSA-N 492.003 6.243 50 10 JKGE COc1c(Br)cc(Cl)c(C)c1[C@H](Cl)c1cc(I)sn1 2277894758 AAYHVUWAVXZHGT-LLVKDONJSA-N 492.991 5.809 50 10 JKGE COc1c(Br)cc(Cl)c(C)c1[C@@H](Br)c1cscc1Br 2277974717 MBQSXNFFLFEOPB-LBPRGKRZSA-N 489.454 6.728 50 10 JKGE Clc1ccc(Br)c([C@H](Cl)c2cc3sc(Br)cc3s2)c1 2278029437 WWZOCXYDTBZIIY-ZDUSSCGKSA-N 457.039 7.469 50 10 JKGE COc1cc(OC)c([C@H](Cl)c2cc(Br)c(Br)s2)cc1Cl 2279147833 ZESITADLKAPLBX-LBPRGKRZSA-N 461.002 6.272 50 10 JKGE Brc1cccc(Br)c1CN1CCC2(CC[C@H](Br)C2)CC1 2287986248 FNKMNYBCMNMDAS-LBPRGKRZSA-N 466.055 5.741 50 10 JKGE N#CC(=Cc1ccc(-c2cc(C(F)(F)F)ccc2Cl)o1)C(=O)Nc1cccc(Br)c1 2293038668 SFIPHHUCRTUXOD-UHFFFAOYSA-N 495.682 6.927 50 10 JKGE CC(C)Cc1ccc(-c2csc(C(C#N)=CNc3ccccc3SC(F)(F)F)n2)cc1 2295948543 HMICAIJVUAXVSC-UHFFFAOYSA-N 459.562 7.597 50 10 JKGE N#CC(C(=O)c1ccccc1)=C1S[C@H](Cc2cccc(Cl)c2Cl)C(=O)N1c1ccccc1 2296507167 WQJMRKBCMDSXEB-OAQYLSRUSA-N 479.388 6.303 50 10 JKGE CC[C@H]([C@@H](Br)c1cc(Br)ccc1OCc1ccccc1)C(C)(F)F 2299489134 MTUFHJKFRMVRDT-AEFFLSMTSA-N 462.172 7.146 50 10 JKGE CCCN[C@H](c1cc(Br)ccc1OCc1ccccc1)[C@H]1C[C@H]1Br 2299496438 NTHWVIOEXVQMJM-HQRMLTQVSA-N 453.218 5.852 50 10 JKGE Brc1ccc(OCc2ccccc2)c([C@@H](Br)[C@@]23CC[C@@H](CO2)C3)c1 2299499379 XQXMMYLVKRBHQA-YSGRDPCXSA-N 452.186 6.033 50 10 JKGE C[C@H](CC(F)(F)F)[C@@H](Br)c1ccc(OCc2ccccc2)cc1Br 2299504791 QDJWOQMZMHNTCK-SJKOYZFVSA-N 466.135 7.053 50 10 JKGE CCC[C@@H](C(C)C)[C@H](Br)c1ccc(OCc2ccccc2)cc1Br 2299505017 SDXAELFPXSIEPF-RXVVDRJESA-N 454.246 7.536 50 10 JKGE Cc1c(Cl)sc(Cl)c1[C@@H](Cl)c1csc(Br)c1Br 2299547780 OIBNLHBKVHVHIN-ZETCQYMHSA-N 455.451 7.278 50 10 JKGE Clc1cc(Cl)cc([C@@H](Br)c2sc(Cl)cc2I)c1 2301083159 GCXVYZDLYBXGKU-SNVBAGLBSA-N 482.395 6.797 50 10 JKGE COc1cc(C=C(C#N)c2ccc(C)cc2)cc(Br)c1OCc1ccc([N+](=O)[O-])cc1 2313521555 WRQRJIPCLABXBN-UHFFFAOYSA-N 479.330 6.318 50 10 JKGE COc1ccc(NC(=O)C(C#N)=Cc2cn(Cc3ccc(Cl)cc3Cl)c3ccccc23)cc1 2313540977 HDHWDKULYKYBIJ-UHFFFAOYSA-N 476.363 6.551 50 10 JKGE N#CC(=Cc1ccc(-c2ccc([N+](=O)[O-])cc2[N+](=O)[O-])o1)C(=O)Nc1cccc(Cl)c1Cl 2313571040 LYIXIDIVJZTXKV-UHFFFAOYSA-N 473.228 5.615 50 10 JKGE Fc1cc([C@@H](Br)c2cc(Br)ccc2OCc2ccccc2)ccc1Cl 2314448304 GSRNXRLNVWLVFK-HXUWFJFHSA-N 484.590 7.305 50 10 JKGE Brc1ccc(OCc2ccccc2)c([C@H](Br)[C@@H]2CC[C@H]3C[C@@H]2CO3)c1 2314455084 LTXOXXVMRSYNSX-LNNXQNCSSA-N 466.213 6.279 50 10 JKGE Fc1cc([C@H](Cl)c2cc(Br)ccc2OCc2ccccc2)ccc1Br 2314502458 IZZCICJNRDSEBK-FQEVSTJZSA-N 484.590 7.258 50 10 JKGE FC1(F)CCC[C@H]1C[C@@H](Br)c1ccc(OCc2ccccc2)cc1Br 2314504131 ZSXMBUXFJILGFQ-MAUKXSAKSA-N 474.183 7.290 50 10 JKGE CCCCCCOc1ccc(C=C(C#N)C(=O)Nc2nc3ccc([N+](=O)[O-])cc3s2)cc1OC 2314732667 RZAFDROKFONFJK-UHFFFAOYSA-N 480.546 5.718 50 10 JKGE COc1cc(C=C(C#N)c2ccc(Cl)cc2)ccc1OC(=O)COc1c(C)ccc(C)c1C 2314734899 KBFPTURJWKTHHA-UHFFFAOYSA-N 461.945 6.322 50 10 JKGE CCCOc1ccc(C=C(C#N)C(=O)Nc2sc(C)c(-c3ccccc3)c2C(=O)OC)cc1 2314755023 NYFDPZKBAMQYQH-UHFFFAOYSA-N 460.555 5.845 50 10 JKGE CC[C@H](c1ccccc1)[C@H](Br)c1sc(Cl)cc1I 2316598354 BVJSBXCDSJCUFP-MFKMUULPSA-N 455.586 6.636 50 10 JKGE Clc1cc(I)c([C@H](Br)[C@@H]2C[C@H]3CCC[C@H]2CC3)s1 2316747586 RQACRTVERXMQFK-QISWUMQESA-N 459.618 6.659 50 10 JKGE CCC(CC)([C@H](Br)c1sc(Cl)cc1I)C(F)(F)F 2316775877 WVSRPHSSBXSKGN-SECBINFHSA-N 475.539 6.811 50 10 JKGE COC1(C(F)(F)[C@@H](Br)c2sc(Cl)cc2I)CCC1 2316777438 NFYPNDUJDIGXHR-VIFPVBQESA-N 471.532 5.647 50 10 JKGE Cc1cc(I)ccc1NC(=O)C(C#N)=CNc1ccccc1C(C)(C)C 2325408269 SLGCPHJLLBCMMB-UHFFFAOYSA-N 459.331 5.355 50 10 JKGE CCOC(=O)c1c(NC(=O)C(C#N)=Cc2ccc(C)cc2)sc(C)c1-c1ccc(Cl)cc1 2329632742 KJZDYCXUGAHWET-UHFFFAOYSA-N 464.974 6.408 50 10 JKGE N#CC(=C(O)[C@H]1CC(=O)N(Cc2ccccc2)C1)c1nc(-c2ccc(Br)cc2)cs1 2331260417 FHLOATRZUNODRA-KRWDZBQOSA-N 480.387 5.414 50 10 JKGE CC[C@H](C)[C@H](C(O)=C(C#N)c1nc(-c2ccccc2Cl)cs1)N1C(=O)c2ccccc2C1=O 2331271558 UUFSBMOPAAIYGI-LHSJRXKWSA-N 477.973 5.967 50 10 JKGE CCc1cccc(CC)c1N1C[C@@H](C(O)=C(C#N)c2nc(-c3ccc(C)cc3C)cs2)CC1=O 2331310735 CJAKXTQHCRSEGB-NRFANRHFSA-N 471.626 6.398 50 10 JKGE C=CCOc1ccccc1OCC(O)=C(C#N)c1nc(-c2cc(C(C)(C)C)ccc2OC)cs1 2331350861 ZGIDFTIRCSTOAW-UHFFFAOYSA-N 476.598 6.553 50 10 JKGE COc1ccc(OCCCC(O)=C(C#N)c2nc(-c3ccc(OC)c(OC)c3OC)cs2)cc1 2331412876 OYAAYNZFXXMPBM-UHFFFAOYSA-N 482.558 5.496 50 10 JKGE CCCOc1ccc(-c2csc(C(C#N)=Cc3ccc(OCc4ccc(C)cc4)cc3)n2)cc1 2331445290 FCSRTAYTAWPGDE-UHFFFAOYSA-N 466.606 7.551 50 10 JKGE CCCOc1ccc(C=C(C#N)c2nc(-c3cc(OCC)ccc3OCC)cs2)cc1OCC 2331470189 QMISXEPSSRAESR-UHFFFAOYSA-N 478.614 6.859 50 10 JKGE Cc1cc(C)c(C)c([C@H](Br)c2ccc(OCc3ccccc3)cc2Br)c1 2336043966 JZWIPBNDFUBOIV-HSZRJFAPSA-N 474.236 7.438 50 10 JKGE Brc1ccc(OCc2ccccc2)c([C@@H](Br)[C@@H]2CC3(CCCC3)CO2)c1 2336056711 LCJGMUPWKMPFKR-LEWJYISDSA-N 480.240 6.813 50 10 JKGE COc1c(Br)cc(C)c([C@H](Br)[C@@H]2CC[C@@H](C)O2)c1Br 2339692053 UIJOYLWDBWFHGJ-UBHAPETDSA-N 457.000 5.532 50 10 JKGE C[C@H](Br)CN(Cc1cc(Br)ccc1Br)C1CCCC1 2342948506 WISNOBKBVYOUBE-NSHDSACASA-N 454.044 5.740 50 10 JKGE Clc1ccc(CN2CCC[C@]3(CBr)CCC[C@H]23)cc1I 2362379049 KZVGJIKHRIATNW-HOTGVXAUSA-N 468.604 5.474 50 10 JKGE COc1c(C)cc([C@H](Cl)c2ccc(OCc3ccccc3)cc2Br)cc1Cl 2362873044 OMDQVBSCASYLIJ-NRFANRHFSA-N 466.202 7.327 50 10 JKGE CC1(C)CCC[C@]12[C@@H](Cl)C[C@H]2Oc1cc(Br)cc(I)c1 2364267043 FTVWYXCHBANVCB-SQWLQELKSA-N 469.588 6.009 50 10 JKGE COc1c(Br)cc(C)c([C@@H](Br)[C@H]2C(C)(C)C2(F)F)c1Br 2365236022 NAZYWSHOTDSPBP-PWSUYJOCSA-N 476.981 6.256 50 10 JKGE CC(C)Cc1ccc([C@H](Br)c2ccc(Cl)cc2I)cc1 2365597105 ZFCJLLRRJUKBIU-KRWDZBQOSA-N 463.584 6.627 50 10 JKGE Cl[C@H]1CN(Cc2ccc(I)c(Br)c2)CC12CCCCC2 2377317876 VYZNZXJQTKSSGF-HNNXBMFYSA-N 468.604 5.427 50 10 JKGE CC(C)c1ccc(-c2csc3ncn(CC(=O)/C(C#N)=C4/Nc5ccccc5S4)c(=O)c23)cc1 8949938 BGSTWSOGZVLVSX-MOHJPFBDSA-N 484.606 5.770 50 10 JKGE Cc1cc(C)cc(OCCOc2c(Cl)cc(Cl)cc2/C=C(/C#N)C(=O)Nc2ccccc2)c1 33731618 VSXREWORQMTZSR-MOSHPQCFSA-N 481.379 6.614 50 10 JKGE CCOc1ccc(-c2nn(-c3ccccc3)cc2/C=C(/C#N)C(=O)Nc2ccc(C)cc2)c(C)c1 34782865 JDZFEDUVUKDYCE-XLNRJJMWSA-N 462.553 6.101 50 10 JKGE CC(C)c1ccc(O[C@H](C)C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@@H]3c2ccccc2F)cc1 38652273 OXGJFGFKUKBJCH-WGDIFIGCSA-N 472.516 5.540 50 10 JKGE COc1cc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4ccco4)ccc32)ccc1OCc1ccccc1 38660031 VLQOAEWJYCHPMW-HHHXNRCGSA-N 494.503 5.305 50 10 JKGE COc1ccc(Br)cc1[C@H]1C(C#N)=C(N)Oc2cc(OC(=O)c3ccccc3F)ccc21 38660724 WUOJBINUSMTXGU-QFIPXVFZSA-N 495.304 5.034 50 10 JKGE C[C@H](Oc1ccc(F)cc1)C(=O)Oc1ccc2c(c1)OC(N)=C(C#N)[C@@H]2c1c(Cl)cccc1Cl 38679816 DKIIAJRZCFOVNS-WHEQGISXSA-N 499.325 5.724 50 10 JKGE N#C/C(=C\c1ccc(-c2ccc(Cl)c(Cl)c2)o1)C(=O)Nc1ccc(Cl)cc1Cl 39884612 PGKLFTFSDAUKQN-KPKJPENVSA-N 452.124 7.106 50 10 JKGE COc1ccccc1C(=O)N/N=C1\CCCc2oc(C(=O)Nc3ccc(Cl)cc3Cl)c(C)c21 40813122 LPMDKCOLFJJWBC-MTDXEUNCSA-N 486.355 5.626 50 10 JKGE CC(C)(c1ccccc1)c1ccc(OCC(=O)N/N=C/c2ccc3cc4ccccc4cc3c2)cc1 59155366 RUIBOOKIHOJNMK-QNKGDIEWSA-N 472.588 6.848 50 10 JKGE C=CCn1c(CNc2cccc3ccccc23)nnc1SCC(=O)N/N=C(\C)c1ccc(C)cc1 59261291 UTFOTBZVIGYZIB-ZTKZIYFRSA-N 484.629 5.170 50 10 JKGE Cc1cccc(NCCCC(=O)N/N=C/c2ccccc2OCc2ccc(Br)cc2)c1 59507997 ZPWVHYMSNCKFGD-OGLMXYFKSA-N 480.406 5.679 50 10 JKGE BrC[C@H](Cc1ccc(Br)s1)Cc1ccccc1Br 97185921 CJPCGGKYEQPVJM-JTQLQIEISA-N 453.037 6.069 50 10 JKGE CCCSc1ccc(-c2nn(-c3ccccc3)cc2/C=C(\C#N)C(=O)NCc2ccco2)cc1 102862687 OCENZWOFDHQZMM-LTGZKZEYSA-N 468.582 5.858 50 10 JKGE COc1ccc([C@@H](Br)c2cc(Br)c(C)cc2OC)cc1Br 115867038 SJVHHXPYBYMIPN-MRXNPFEDSA-N 479.006 6.022 50 10 JKGE CCCCCCCOc1ccccc1/C=N/NC(=O)c1cc(-c2ccc(F)cc2)nc(O)n1 169924053 PDSZLXSAWFAUNE-WPWMEQJKSA-N 450.514 5.101 50 10 JKGE CC1(C)CC[C@]2(C)CC[C@]3(C)C(=CC[C@@H]4[C@@]5(C)CC[C@H](O[Si](C)(C)C)C(C)(C)[C@@H]5CC[C@]43C)[C@@H]2C1 197133736 DTNMLCLEKOLKGE-FZPMHTIVSA-N 498.912 10.028 50 10 JKGE Cc1ccc(N/C=C(/C#N)C(=O)N2CCN(C(c3ccccc3)c3ccccc3)CC2)c(C)c1 216493678 WGCUDPKTAKGOOZ-QLYXXIJNSA-N 450.586 5.057 50 10 JKGE COc1ccc(CCNC(=O)/C(C#N)=C\Nc2ccc(-c3nc4ccc(C)cc4s3)cc2)cc1OC 216789212 NIRDEQDKDHAIQN-FXBPSFAMSA-N 498.608 5.467 50 10 JKGE CC1(C)COc2ccc([C@H](Br)c3cc(Br)c(Br)s3)cc21 228541452 PYMRIOQJCNJKMO-ZDUSSCGKSA-N 481.047 6.427 50 10 JKGE CC(C)(C)c1ccc([C@H](Br)c2ccc(Br)cc2Br)cc1 232512104 LMGPNHKKXUZHSF-INIZCTEOSA-N 461.035 6.993 50 10 JKGE CCOc1ccc(C)cc1[C@@H](Br)c1cc(Br)cc(Br)c1 233775469 AMTDHKSRIDLXQO-INIZCTEOSA-N 463.007 6.403 50 10 JKGE CCCCOc1cccc(C=NNC(=O)c2cc(-c3ccc(C(C)C)cc3)nc3ccccc23)c1 252640412 YTIJTCXMMYGQIN-UHFFFAOYSA-N 465.597 6.968 50 10 JKGE Cc1ccc(COc2ccccc2-c2cc(C(=O)NN=Cc3c(O)ccc4ccccc34)[nH]n2)cc1 254432850 WBGKDFXLFMZCBV-UHFFFAOYSA-N 476.536 5.587 50 10 JKGE Cc1ccc(-n2c(SCC(=O)NN=C/C=C\c3ccccc3[N+](=O)[O-])nnc2-c2ccccc2)cc1 254634527 VSVIUQPWIOFILO-QROMJBRISA-N 498.568 5.058 50 10 JKGE CC(=NNC(=O)c1cc(-c2ccccc2)nc2c(Cl)cccc12)c1cccc(NC(=O)C(C)C)c1 254685703 LZMIRDABVYLQDM-UHFFFAOYSA-N 484.987 6.304 50 10 JKGE O=C(NN=Cc1cn(-c2ccccc2)nc1-c1ccc(OCc2ccccc2)cc1)c1ccncc1 254751684 FVLIDEBNBDJUHE-UHFFFAOYSA-N 473.536 5.277 50 10 JKGE O=C(NN=Cc1ccc(N2N=C(c3ccccc3)C[C@H]2c2ccccc2)cc1)c1ccc([N+](=O)[O-])cc1 254868313 DAWCIQVYDHOBOA-NDEPHWFRSA-N 489.535 5.714 50 10 JKGE Cc1cc([C@@H](Cl)c2ccc(Br)cc2Br)c(C)cc1Br 300464178 UTDBHJLMTVEIMU-HNNXBMFYSA-N 467.426 6.919 50 10 JKGE Cc1cc([C@@H](Cl)c2cc(Br)ccc2I)cc(C)c1F 300477183 MMROMNFMVJHPHW-CQSZACIVSA-N 453.520 6.138 50 10 JKGE BrCc1cc2c(I)cc(I)cc2s1 306617110 QSBYIRFLGMQUOO-UHFFFAOYSA-N 478.918 5.005 50 10 JKGE Clc1ccc(I)c([C@@H](Cl)c2cc3c(cc2Br)OCC3)c1 308439075 USMGHLITKBCUEZ-HNNXBMFYSA-N 483.958 5.970 50 10 JKGE Cl[C@@H](c1ccc(OCc2ccccc2)cc1)c1cc(Br)c(Br)s1 309829572 FXMWUDSAHDATTL-KRWDZBQOSA-N 472.629 7.180 50 10 JKGE Cc1cc(CC(CBr)(CBr)c2ccc(Br)cc2)cs1 311995618 QPFSRTKCRJHVCC-UHFFFAOYSA-N 467.064 6.089 50 10 JKGE CCC1CCC([C@@H](Br)c2cc(Br)c(C)cc2Br)CC1 328359363 SHZGSAUJGSKVDV-ZEPSKSRBSA-N 453.056 7.172 50 10 JKGE ClCc1nc2cc(Cl)ccc2n1-c1cc(I)ccc1Br 383612638 SILNVNXCJSMUMS-UHFFFAOYSA-N 481.946 5.785 50 10 JKGE Brc1cc([C@@H](Br)C(C2CCC2)C2CCC2)c(Br)s1 385030106 GKOQZFCWQUSOKJ-CYBMUJFWSA-N 457.069 6.926 50 10 JKGE ClCc1nc2c(Br)cccc2n1CCCN(Cc1ccccc1)Cc1ccccc1 390508301 XVTBKLBKDGBZBO-UHFFFAOYSA-N 482.853 6.630 50 10 JKGE COc1ccc(C=NNC(=O)CN2CCn3c4c(c5cc(C6CCCCC6)ccc53)CCC[C@H]42)cc1 607737393 VAMSSRSUXVXOMV-MUUNZHRXSA-N 484.644 5.541 50 10 JKGE biogenic CN(C(=O)OC(C)(C)C)c1cccc([C@H]2c3ccccc3CCN2CCO[Si](C)(C)C(C)(C)C)c1 616678963 QHVPHSNURARESI-SANMLTNESA-N 496.768 7.027 50 10 JKGE COCc1cc(Br)c([C@H](Cl)c2cccc(C)c2I)s1 710875023 MUINRYZHZMNYBL-GFCCVEGCSA-N 471.585 5.898 50 10 JKGE CC(C)(C)OC(=O)N1C[C@@H](CI)[C@@H](c2ccccc2C(F)(F)F)C1 725411495 SMNHWIUTVMZKLW-YPMHNXCESA-N 455.258 5.091 50 10 JKGE C=CCc1cc(/C=C(\C#N)C(=O)Nc2cccc(Cl)c2Cl)ccc1OCC(=O)OCC 1084175108 ZXPSHTDTZAPLHV-SFQUDFHCSA-N 459.329 5.209 50 10 JKGE O=C(NN=Cc1cccc(OCc2ccc(Cl)cc2)c1)C(c1ccccc1)c1ccccc1 1084246555 UJJDXVLZUKOYLQ-UHFFFAOYSA-N 454.957 6.201 50 10 JKGE Cc1cc(C)cc(-n2c(C)c(Br)c(C=NNC(=O)[C@H](C)SCc3ccccc3)c2C)c1 1084514932 AJXFEYAVLBOOMG-FQEVSTJZSA-N 498.490 6.245 50 10 JKGE 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 1565534850 KUJXAJMABXMSCW-HSKRDALASA-N 460.775 7.170 50 10 JKGE Cc1ccnc(NC(=O)c2oc3c(c2C)C(=NNC(=O)c2ccc(Cl)cc2Cl)CCC3)c1 1772746751 ZJZUTSSAHGHRIK-UHFFFAOYSA-N 471.344 5.321 50 10 JKGE Cc1cccc(C)c1OCC(=O)NCc1ccc(OC(=O)Nc2ccc(SC#N)cc2)cc1 1858900355 DUHCTLUWAHJESR-UHFFFAOYSA-N 461.543 5.183 50 10 JKGE CCOC(=O)c1c(-c2ccc(OCC)cc2)csc1NC(=O)C(=O)Nc1ccc(SC#N)cc1 1860747394 HLTCEHJHBSOCNJ-UHFFFAOYSA-N 495.582 5.141 50 10 JKGE N#CC1=C(N)Oc2c(c(C(F)(F)F)nn2Cc2ccc(Cl)cc2)[C@@H]1c1ccc(Cl)cc1 1865682905 AFDQDUSDBZCFAD-MRXNPFEDSA-N 465.262 5.475 50 10 JKGE N#CC1=C(N)Oc2c(c(-c3ccccc3)nn2Cc2cccc(Cl)c2)[C@H]1c1ccc(O)cc1 1865684795 YPHAOKLZHQXXOK-QFIPXVFZSA-N 454.917 5.176 50 10 JKGE CCCc1nn(-c2ccccc2Cl)c2c1[C@@H](c1ccc(Cl)cc1Cl)C(C#N)=C(N)O2 1865686612 XRESBRDMRMAIFK-IBGZPJMESA-N 459.764 6.003 50 10 JKGE COc1ccc(-c2nn(C)c3c2[C@H](c2ccc(OCc4ccc(Cl)cc4)cc2)C(C#N)=C(N)O3)cc1 1865695564 PZDFOUBPCDXNBR-XMMPIXPASA-N 498.970 5.546 50 10 JKGE Cc1ccccc1COc1ccc([C@H]2C(C#N)=C(N)Oc3c2c(C)nn3Cc2ccccc2F)cc1 1865703197 POMGJXJQQWHPMV-MHZLTWQESA-N 480.543 5.485 50 10 JKGE CCc1nn(-c2ccc(Cl)c(Cl)c2)c2c1[C@H](c1ccc(Br)cc1)C(C#N)=C(N)O2 1865715114 WMWHAIJQDUDGJL-GOSISDBHSA-N 490.188 5.722 50 10 JKGE C/C(=N\NC(=O)c1ccc(-c2ccc(Cl)c(Cl)c2)nc1C)c1ccc2c(c1)N(C)C(=O)[C@H](C)O2 1865763402 KDFQNXWHNZYXFM-KTBDRLKFSA-N 497.382 5.262 50 10 JKGE CC(C)c1nc(Nc2ccc(SC#N)cc2)cc(N2C[C@H](c3ccc(F)cc3)O[C@H](C)C2)n1 1868231363 DXHCXVADSYYHIA-VGOFRKELSA-N 463.582 6.022 50 10 JKGE CN1CCN(c2cc(Nc3ccc(SC#N)cc3)nc(C(C)(C)C)n2)C[C@@H]1c1ccc(F)cc1 1868342102 KIZGOXYLEYESJD-JOCHJYFZSA-N 476.625 5.723 50 10 JKGE CCCCCCCOc1ccc(-c2csc(/C(C#N)=C(\O)COc3ccc(CCC)cc3)n2)cc1 1872752943 ABWVVVROJIPAEY-SGEDCAFJSA-N 490.669 7.983 50 10 JKGE COc1ccc(C/C(O)=C(\C#N)c2nc(-c3cc(C)c(Cl)cc3OC)cs2)c(OC)c1 1872755596 VUDUBUASHCGXRW-JZJYNLBNSA-N 456.951 5.833 50 10 JKGE COc1cc(OC)c(-c2csc(/C(C#N)=C(O)/C=C\c3ccc(Cl)cc3)n2)cc1Cl 1872756678 VIODHUIYKCUWOZ-YBVABGLXSA-N 459.354 6.640 50 10 JKGE CCCCCCOc1c(Br)cc(/C=C(\C#N)c2nc(-c3ccccc3)cs2)cc1OC 1872790071 IZWKKMSZCOAJPR-DEDYPNTBSA-N 497.458 7.604 50 10 JKGE CCN(Cc1ccccc1)c1ccc(/C=C(\C#N)c2nc(-c3ccc4c(c3)OCO4)cs2)cc1 1872792336 SKAYNFNEZSSJAF-OEAKJJBVSA-N 465.578 6.629 50 10 JKGE COc1c(C)cc(C)cc1-c1csc(/C(C#N)=C/c2ccc(OC(=O)c3ccccc3)cc2)n1 1872792957 ZZXXJJNTXJIIOS-PXLXIMEGSA-N 466.562 6.719 50 10 JKGE CCCOc1ccc(-c2csc(/C(C#N)=C(\O)c3ccc(OC)cc3)n2)cc1OCCC 1872818299 WFXUBTWZMRTJHZ-GFMRDNFCSA-N 450.560 6.346 50 10 JKGE CCCCc1ccc(N2C[C@@H](C(=O)Nc3sc(/C(C)=C/C#N)c(C)c3C(=O)OC)CC2=O)cc1 1873427106 GZEGBZZBZCMLHK-BAILOTOSSA-N 479.602 5.104 50 10 JKGE C[C@H](CBr)N(Cc1ccccc1)Cc1cc(I)ccc1Cl 1893660837 DGSUOZPCKUFPCH-CYBMUJFWSA-N 478.599 5.730 50 10 JKGE Brc1ccc(Br)c([C@@H](Br)c2cnsc2Br)c1 1900432737 AWNVZKVCRHCSPB-SECBINFHSA-N 490.840 5.915 50 10 JKGE COc1cc(C)c([C@H](Br)c2scc(C)c2Br)cc1Br 1901586263 MDXVCCZTAFZYBJ-ZDUSSCGKSA-N 469.036 6.383 50 10 JKGE C[C@H](c1ccncc1Br)[C@@H](Br)c1c(F)cc(Br)cc1F 1924040101 MRGQDNPEOJYAEA-NXSYQRQQSA-N 469.949 6.125 50 10 JKGE CC(C)(C[C@H](Cl)c1c(Br)sc(Br)c1Br)C(F)(F)F 1924569824 AQQLNXYANCTVRV-BYPYZUCNSA-N 493.408 7.294 50 10 JKGE CC1(C)C[C@@H]1[C@H](Br)c1c(Br)sc(Br)c1Br 1924576778 SCMIMWMGTILHJJ-XINAWCOVSA-N 481.873 6.518 50 10 JKGE Cc1cc(Br)c([C@@H](Cl)c2csnc2Br)cc1Br 1925238278 BIUTWNKFWNYIQM-SNVBAGLBSA-N 460.416 6.067 50 10 JKGE FC(F)(F)C1([C@H](Br)c2cc(Br)sc2Br)CCC1 1940743462 PWVPUVLNMUWHHY-SSDOTTSWSA-N 456.947 6.442 50 10 JKGE Brc1cscc1[C@H](Br)c1cc(C2CC2)c(Br)s1 1945810828 FTHPEIVXLIKVBO-NSHDSACASA-N 457.050 6.696 50 10 JKGE Clc1cc(Br)c([C@@H](Br)c2cccc(Br)c2Cl)s1 1948822739 HBTHADCHVJTZSB-VIFPVBQESA-N 479.846 7.064 50 10 JKGE Clc1sc(Cl)c([C@@H](Br)c2cc(I)sn2)c1Cl 1983286270 ODZFOLLLTONSTI-YFKPBYRVSA-N 489.412 6.254 50 10 JKGE CC(C)(C)OC(=O)NCCSSCCNCc1ccc(NC(=O)OC(C)(C)C)cc1 1985349550 AUOJJNJUPTZCST-UHFFFAOYSA-N 457.662 5.029 50 10 JKGE Cc1sc(Br)c([C@H](Br)c2ccccc2OCc2ccccc2)c1C 2024027964 GPJQGAMAVIPGIK-LJQANCHMSA-N 466.238 7.191 50 10 JKGE CN(c1ccc(CBr)c(Br)c1)[C@H]1CC(C)(C)[C@@H]1OCc1ccccc1 2038795701 WPWLTIFPZHPTPU-VQTJNVASSA-N 467.245 6.164 50 10 JKGE FC1(F)CCC[C@@H]2[C@H]([C@H](Br)c3sc(Br)cc3Br)[C@@H]21 2051237155 BLDFJBTYSKUREH-NZENMJELSA-N 464.995 6.391 50 10 JKGE CC1(C)CCC2(CC1)CC(O[C@@H]1CN(C(=O)OC(C)(C)C)C[C@H]1I)C2 2073144729 RVDQUUBZPBXMJO-HZPDHXFCSA-N 463.400 5.175 50 10 JKGE Brc1ccc([C@@H](Br)c2cc3c(s2)CCC3)c(Br)c1 2083336723 CTNZOMLSGHQNOV-CQSZACIVSA-N 451.021 6.246 50 10 JKGE Fc1cccc([C@@H](CBr)Cc2c(Br)cccc2Br)c1 2094096383 XBBBTTYWHKGVTE-LLVKDONJSA-N 450.971 6.072 50 10 JKGE C[C@@H]1CCO[C@H]1CC(CBr)(CBr)c1cccc(Br)c1 2096130946 ZIFUJNHNAJBZAC-RISCZKNCSA-N 455.028 5.292 50 10 JKGE Cc1cc(Br)c([C@@H](Br)C2CCC(C)(C)CC2)cc1Br 2100837312 BBMNPXJDISJYFF-HNNXBMFYSA-N 453.056 7.172 50 10 JKGE C[C@@H]1CN(C(=O)c2csc(Br)c2Br)CC[C@@H]1CCBr 2115846149 ZFQXAKPHOZCBOP-BDAKNGLRSA-N 474.056 5.156 50 10 JKGE CC1(C)C[C@@H](CBr)CN(C(=O)c2csc(Br)c2Br)C1 2115962867 WQLKTYHJRZONQL-QMMMGPOBSA-N 474.056 5.156 50 10 JKGE Cc1c(Br)sc([C@H](Br)[C@]2(C)CCCC(F)(F)C2)c1Br 2132121741 BQZHBDAJYAKNAU-CMPLNLGQSA-N 481.038 7.233 50 10 JKGE Cc1cc(Br)c(C)c([C@H](Br)C[C@@H]2CC[C@@H]3C[C@@H]23)c1Br 2136369585 KEFKYGUEXBOHMX-GFQSEFKGSA-N 451.040 6.701 50 10 JKGE CC[C@H]1CC[C@@H](COc2c(Br)cc(CBr)cc2Br)O1 2136741141 FCVSKWXQSSHLPB-QWRGUYRKSA-N 457.000 5.443 50 10 JKGE Cc1c(Br)ccc([C@@H](Br)CC(C)(C)C(F)(F)F)c1Br 2138859752 CIGFXHXKZILPRV-JTQLQIEISA-N 466.961 6.935 50 10 JKGE Cc1cccc([C@@H](Cl)c2ccc(Br)c(C)c2Br)c1Br 2138866536 UPTNRNSUSXXKHU-OAHLLOKOSA-N 467.426 6.919 50 10 JKGE CCC[C@@H]1CN(C(=O)c2cc(Br)c(Br)s2)C[C@H]1CBr 2140768449 DTBMIAOZELTYKB-RKDXNWHRSA-N 474.056 5.156 50 10 JKGE Cc1c(Br)sc([C@H](Br)[C@H]2CC3(CCCCC3)CO2)c1Br 2166260754 LGLZAHFAJRSDMC-ZYHUDNBSSA-N 487.095 6.757 50 10 JKGE CC(C)[C@@H](CCl)N(Cc1ccccc1)C(=O)c1cc(Br)cc(C(F)(F)F)c1 2172408677 PWLZYJFGHLVPBU-GOSISDBHSA-N 462.737 6.374 50 10 JKGE Cc1cc(Br)c(CBr)c(N2CCCN(Cc3ccccc3)CCOCC2)c1 2173446674 BIBCOWQSNAEOSU-UHFFFAOYSA-N 496.287 5.381 50 10 JKGE O=C(NCC[C@@H]1CCCC[C@H]1Br)c1cc(Br)cc(Br)c1 2179634289 FGPBBKLTDNQYHY-IINYFYTJSA-N 468.027 5.285 50 10 JKGE COC[C@@H]1CC[C@H](COc2c(Br)cc(Br)cc2CBr)C1 2181919809 DJCXRLUVBQWCGV-MNOVXSKESA-N 471.027 5.548 50 10 JKGE Brc1ccccc1[C@@H](CI)O[C@@H]1COC2(CCCC2)C1 2189463167 SXXUFPTZLGIXLD-SWLSCSKDSA-N 451.142 5.044 50 10 JKGE Cc1c(Br)sc([C@H](Br)C23CC(C2)[C@H](C(F)(F)F)O3)c1Br 2193090503 FLZSSNGPXIISGN-JUCNRWDMSA-N 498.984 6.127 50 10 JKGE COc1cc(Br)c([C@@H](Br)[C@H]2C[C@H](Br)C2)c(OC)c1OC 2196880680 MKTCEPNPKQKGSV-UBJUHAIHSA-N 472.999 5.084 50 10 JKGE CC(C)(C)NCc1cc(Br)cc(Br)c1OC[C@H]1C[C@H]1Br 2196908718 ZISOUDXZZAZKBH-ZYHUDNBSSA-N 470.043 5.262 50 10 JKGE Cc1c(Br)ccc([C@H](Br)Cc2cccc(Cl)c2F)c1Br 2203703426 IPCKBIGHIAKPSY-GFCCVEGCSA-N 485.416 6.991 50 10 JKGE Cc1sc(Br)c(C)c1[C@@H](Br)c1ccccc1I 2213638612 ZUYFFTIYDHMIKY-LBPRGKRZSA-N 486.010 6.216 50 10 JKGE Clc1cc(Cl)cc(C[C@H](Br)c2csc(I)c2)c1 2217399754 OOCOENFKFLWSPV-NSHDSACASA-N 461.977 6.338 50 10 JKGE Cc1cc(Br)c([C@@H](Cl)c2cc(Br)sn2)c(C)c1Br 2220142683 AQBTWLDGUYLAQA-LBPRGKRZSA-N 474.443 6.376 50 10 JKGE Cc1nsc(Br)c1[C@H](Br)Cc1ccc(Br)cc1Cl 2221692930 JLKVWBIUISFWKU-SECBINFHSA-N 474.443 6.309 50 10 JKGE Cc1cc(Br)c([C@H](Cl)c2cc(Br)c(Br)cc2F)s1 2221821249 YVLSERUVZHGOMZ-LLVKDONJSA-N 477.418 6.811 50 10 JKGE CC1(C)[C@@H]2CC([C@@H](Br)c3cc(Br)c(Br)cc3F)C[C@H]21 2225618355 YMPOYFRUDDVRGH-GPCCPHFNSA-N 455.003 6.469 50 10 JKGE CC1(C)CCC[C@H]([C@@H](Br)c2cc(Br)c(Br)cc2F)O1 2226862318 CVFCBWIVUDEISU-OLZOCXBDSA-N 458.991 6.134 50 10 JKGE Fc1cccc(C(CBr)(CBr)Cc2nscc2Br)c1 2227091067 FXLBCHLUNWBXJC-UHFFFAOYSA-N 472.015 5.315 50 10 JKGE Cc1ccc(I)c([C@@H](Cl)c2cc(Br)c(Cl)cc2C)c1 2232222206 HATLENQIMDTSMB-HNNXBMFYSA-N 469.975 6.652 50 10 JKGE Fc1ccc([C@H](Cl)c2c(Br)cc(Cl)c(Cl)c2Cl)cc1Br 2232509951 FPIYXXLIIRYMJX-NSHDSACASA-N 481.801 7.639 50 10 JKGE Fc1cccc(C[C@@H](Br)c2c(Br)cc(Cl)c(Cl)c2Cl)c1 2232514775 VUARUKUOYNOPOY-SECBINFHSA-N 461.383 7.227 50 10 JKGE Cc1cccc([C@@H](Br)c2c(Br)cc(C)c(Br)c2C)c1Cl 2235604418 NLSDVIGHYDDIAQ-OAHLLOKOSA-N 481.453 7.275 50 10 JKGE CCc1cc(Br)c([C@@H](Cl)c2ccc(Cl)c(I)c2)s1 2256334474 BBGCTKMVGDPIGS-LBPRGKRZSA-N 476.004 6.659 50 10 JKGE Cn1cc(Br)c([C@H](Cl)Cc2cc(Br)cc(Br)c2)n1 2263513337 MSEUZXPCGMUZAI-LLVKDONJSA-N 457.391 5.230 50 10 JKGE COc1ccc([C@@H](Br)c2cccc(F)c2Cl)cc1I 2269555721 JRYASTGTEAMTGJ-CYBMUJFWSA-N 455.492 5.577 50 10 JKGE CC1CC2(C1)CC(CBr)(Cc1cc(Br)ccc1Br)C2 2272082838 BKQRYNNDSKUKFS-UHFFFAOYSA-N 451.040 6.346 50 10 JKGE Brc1cc(Br)cc(C[C@H](Br)[C@H]2C[C@@H]2C2CCCC2)c1 2277952672 HZISKRWPWGCANH-PMPSAXMXSA-N 451.040 6.344 50 10 JKGE Fc1cccc([C@@H](Br)Cc2cc(Br)cc(Br)c2)c1F 2277960479 IHYPOXRJCZAIFD-LBPRGKRZSA-N 454.934 6.169 50 10 JKGE COc1ccc([C@@H](Cl)c2c(Br)sc(C)c2C)c(Br)c1Cl 2283559703 PLVUAJRPZBKGCT-GFCCVEGCSA-N 459.030 6.880 50 10 JKGE COc1ccc([C@H](Br)c2cc(Br)cc(Br)c2)c(C)c1C 2284589387 JURHJVJIPGUOIV-MRXNPFEDSA-N 463.007 6.321 50 10 JKGE C[C@H]1C[C@@H]1CCCCCOc1c(Br)cc(Br)cc1CBr 2284871314 YTDIEWVFDPHITM-RYUDHWBXSA-N 469.055 6.702 50 10 JKGE COc1ccc([C@H](Br)C23CCC(OC)(CC2)C3)cc1I 2285004873 DAMRWMMNLDHTPO-FHERZECASA-N 451.142 5.085 50 10 JKGE C[C@H](Br)CN(CC(C)(C)C)C(=O)c1ccc(I)c(Cl)c1 2288063719 ZRHZYUMJQGQZQX-JTQLQIEISA-N 472.592 5.216 50 10 JKGE COc1cc(OC)c([C@@H](Br)c2cc(Br)sc2C)cc1Br 2295422519 ZRKAMERTWCZASC-AWEZNQCLSA-N 485.035 6.083 50 10 JKGE CCOc1cc(C=NNC(=O)c2ccc(NC(=O)C(C)C)cc2)ccc1OC(=O)C=Cc1ccccc1 2297453957 MSGGVFYKYQARIE-UHFFFAOYSA-N 499.567 5.063 50 10 JKGE Cc1ccc(NC(=O)C(C#N)=C2S[C@H](Cc3ccccc3C)C(=O)N2c2ccc(Cl)cc2)cc1 2297458581 GBTSLOAKFWVWSE-XMMPIXPASA-N 488.012 6.022 50 10 JKGE FC1(F)CC(C[C@@H](Br)c2ccc(OCc3ccccc3)cc2Br)C1 2299532813 KWIBYYBOTOJLNF-QGZVFWFLSA-N 460.156 6.900 50 10 JKGE FC1(F)CC12CC([C@@H](Br)c1sc(Cl)cc1I)C2 2300956502 AOZJFQUOCHDHJN-FDRLMODASA-N 453.517 5.878 50 10 JKGE Cc1c(Br)sc([C@@H](Br)[C@]23COC[C@H]2C3(F)F)c1Br 2308882274 RANFAUGPVZUMDY-RHFNHBFPSA-N 466.967 5.299 50 10 JKGE Cc1ccc(C)c(NC(=O)C(C#N)=Cc2ccc(OCc3ccc(Cl)c(Cl)c3)cc2)c1 2313511136 PVLNNFBSOCOXMY-UHFFFAOYSA-N 451.353 6.735 50 10 JKGE N#CC(=Cc1cccc(OCc2ccccc2F)c1)C(=O)Nc1sc2c(c1C#N)CCCC2 2313630379 IVDSGDDPCHOBJO-UHFFFAOYSA-N 457.530 5.762 50 10 JKGE Cc1ccc(C)c(NC(=O)C(C#N)=Cc2cc(Br)ccc2OCc2cccc(F)c2)c1 2313667424 MQSLXOOJUPOQLD-UHFFFAOYSA-N 479.349 6.330 50 10 JKGE FC(F)[C@@H]1CCC[C@@H]1[C@H](Br)c1ccc(OCc2ccccc2)cc1Br 2314445106 PUTRPZLOOLCWHD-FCEWJHQRSA-N 474.183 7.146 50 10 JKGE COc1cc(C=C(C#N)c2nc(-c3ccc(C)cc3)cs2)ccc1OCC(=O)Nc1nccs1 2314488071 IPQRRJTUIXCIOT-UHFFFAOYSA-N 488.594 5.665 50 10 JKGE CCc1ccc(N2C(=O)[C@@H](Cc3ccc(C)cc3)SC2=C(C#N)C(=O)NCc2ccccc2)cc1 2314593210 JPIZNSMRMOVQGG-AREMUKBSSA-N 481.621 5.300 50 10 JKGE CCCCOc1ccc(-c2csc(NC(=O)C(C#N)=Cc3ccc(OCCC)cc3)n2)cc1 2314754752 ADAJLHHEOFNSAB-UHFFFAOYSA-N 461.587 6.323 50 10 JKGE COc1cc([C@H](Br)c2ccc(Br)cc2Br)sc1Cl 2317954756 GSDGXVLWZUZMOA-LLVKDONJSA-N 475.427 6.419 50 10 JKGE C[C@H]1CC2CC([C@@H](Cl)c3c(Br)sc(Br)c3Br)(C2)O1 2319569839 NSCKYNPKKUYSGI-SRMMIXQFSA-N 479.459 6.273 50 10 JKGE O=C(NN=Cc1ccc(-n2nc(-c3ccccc3)cc2-c2ccccc2)cc1)c1ccccc1O 2323097705 RMVXSEYZOHSWGA-UHFFFAOYSA-N 458.521 5.676 50 10 JKGE CCOc1cc(C=C(C#N)c2nc(-c3ccccc3)cs2)cc(Br)c1OCC 2323831972 XNEDIFRQLJJVDG-UHFFFAOYSA-N 455.377 6.434 50 10 JKGE CC1=CC[C@](CBr)(Cc2ccc(I)c(Br)c2)CC1 2325220554 AXNFOXYCUJKFKS-OAHLLOKOSA-N 484.013 6.108 50 10 JKGE FC(F)(F)[C@H]1C[C@@H]([C@H](Cl)c2c(Br)sc(Br)c2Br)C1 2327682762 SMAGCIDUBGGCBD-XIVJJUGBSA-N 491.392 6.904 50 10 JKGE CCOC(=O)c1c(-c2ccc(F)cc2)csc1NC(=O)C(C#N)=Cc1ccc(Br)cc1 2329663819 WXPNBJFTDFRXOL-UHFFFAOYSA-N 499.361 6.039 50 10 JKGE N#CC(=C(O)CCc1nc2ccccc2[nH]c1=O)c1nc(-c2ccc(Cl)c(Cl)c2)cs1 2331311967 PYDWYDSILURQRO-UHFFFAOYSA-N 469.353 5.779 50 10 JKGE CCc1cccc(CC)c1N1C[C@H](C(O)=C(C#N)c2nc(-c3cc(C)ccc3C)cs2)CC1=O 2331319809 NUFGJZWZANEWER-OAQYLSRUSA-N 471.626 6.398 50 10 JKGE COc1c(C)cc(C)cc1-c1csc(C(C#N)=C(O)c2c(Cl)ccc(Cl)c2OC)n1 2331376135 HGCADFOJYLNZFD-UHFFFAOYSA-N 461.370 6.701 50 10 JKGE CCOc1ccc(C=CC(O)=C(C#N)c2nc(-c3cc(Cl)cc(C)c3OC)cs2)cc1 2331391864 QPCWUERHTVTTOV-UHFFFAOYSA-N 452.963 6.685 50 10 JKGE Fc1cc(F)c([C@H](Br)c2ccc(OCc3ccccc3)cc2Br)c(F)c1 2336038093 KBXSLYNYQNBHTB-HXUWFJFHSA-N 486.125 6.930 50 10 JKGE Cc1cc(C)c(C)c([C@H](Br)c2cc(Br)ccc2OCc2ccccc2)c1 2336041561 OXDNIIAYMNPTNP-QHCPKHFHSA-N 474.236 7.438 50 10 JKGE Brc1cc(OCc2ccccc2)ccc1[C@@H](Br)[C@H]1C[C@@H]1c1ccccc1 2336042551 AIQFUXZXJAHXCI-FUPPJEDESA-N 472.220 7.268 50 10 JKGE Fc1c(Br)cc(Cl)c([C@H](Br)[C@@H]2CC3(CC3)CO2)c1Br 2337083942 FZSCKGJMLFJEGL-WCBMZHEXSA-N 477.393 6.009 50 10 JKGE C[C@H]1[C@H](Br)C[C@H]2CC[C@H]1N2Cc1ccc(Cl)c(I)c1 2337222862 DUADLKAWOSLALG-AYIJCJCZSA-N 454.577 5.081 50 10 JKGE COc1ccc([C@H](Br)c2sc(Cl)cc2I)cc1OC 2338559084 SBYKNTHEQQMWDR-LBPRGKRZSA-N 473.557 5.508 50 10 JKGE Clc1ccc(CN2CC[C@@]3(CCC[C@H]3Br)C2)c(I)c1 2341033716 ZTAKMMFEWMUBRM-CABCVRRESA-N 454.577 5.084 50 10 JKGE COc1cc(C)c([C@@H](Br)c2csc(C)c2Br)cc1Br 2343561196 FITDYWHTZGEVJA-CQSZACIVSA-N 469.036 6.383 50 10 JKGE Cc1cc(Br)c(C)c([C@H](Cl)c2csc(C)c2Br)c1Br 2343564357 XOLIINKESGKMCE-CQSZACIVSA-N 487.482 7.289 50 10 JKGE Cc1cc(Br)cc([C@@H](Cl)c2c(F)cc(Cl)c(Br)c2Cl)c1 2360493575 MOBYOQOYMFUIMS-CYBMUJFWSA-N 461.383 7.294 50 10 JKGE Fc1c(Br)cc(Cl)c([C@H](Br)[C@@H]2[C@@H]3CCC(F)(F)[C@H]32)c1Br 2362235109 KIJFGNQCUFCPLG-JXXIRVJCSA-N 497.374 6.731 50 10 JKGE CC1(C)[C@@H]2CC([C@@H](Br)c3c(Cl)cc(Br)c(F)c3Br)C[C@H]21 2362251561 BGNPCVWUBKXLNO-DNSOKLHBSA-N 489.448 7.122 50 10 JKGE CO[C@]1(C(F)F)C[C@H]([C@@H](Br)c2ccc(Br)c(C)c2Br)C1 2368966170 VCBKFXQMFPYWDT-RGZBUGHASA-N 476.981 6.016 50 10 JKGE Cc1c(Cl)cccc1N(C(=O)CCl)[C@H](C(=O)NC1CCCCC1)c1ccccc1F 3033993 QIQARPIQPNOYCQ-QFIPXVFZSA-N 451.369 5.550 50 10 JKGE CC[C@H](Nc1ccc(Br)cc1)C(=O)N/N=C/c1ccccc1OCc1ccccc1 27498320 XLLJUWBSKAEPTE-SYOQMXFQSA-N 466.379 5.369 50 10 JKGE N#C/C(=C/c1cccc(OC(=O)CCCOc2ccc(Cl)cc2Cl)c1)c1cccc(Cl)c1 31902514 DDIRDEPZXYASIA-UNOMPAQXSA-N 486.782 7.476 50 10 JKGE CCc1ccc(NC(=O)/C(C#N)=C/c2ccc(Oc3ccc([N+](=O)[O-])cc3[N+](=O)[O-])c(OC)c2)cc1 34737546 YXXUNGYPNMKTQD-LDADJPATSA-N 488.456 5.412 50 10 JKGE CCCCOc1cccc(-c2nn(-c3ccccc3)cc2/C=C(/C#N)C(=O)NCc2ccco2)c1 35446782 ZWPPMILBPYVKAW-JWGURIENSA-N 466.541 5.535 50 10 JKGE CC(C)c1ccc(OCC(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@@H]3c2ccccc2F)cc1 38652243 IBUMKNQKPYCNEI-AREMUKBSSA-N 458.489 5.152 50 10 JKGE CCOc1ccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4ccc(Cl)cc4)ccc32)cc1OCC 38679047 VOFXABSHHABTDM-VWLOTQADSA-N 490.943 5.575 50 10 JKGE Cc1ccc2nc(N(/N=C/c3cccs3)C(=O)c3cc(Cl)sc3Cl)sc2c1 39714299 LRMBGAULFRPLRM-ZVBGSRNCSA-N 452.413 6.715 50 10 JKGE COc1cc(/C=C(\C#N)c2ccc(Cl)cc2)ccc1OC(=O)c1ccc(Cl)cc1Cl 40847918 KAFADMNWVCPIPS-MHWRWJLKSA-N 458.728 6.939 50 10 JKGE CCc1ccccc1OCC(=O)N/N=C/c1cc(Br)ccc1OCc1ccccc1 40889013 LPYWRKCAWNPRNV-CVKSISIWSA-N 467.363 5.120 50 10 JKGE O=C(COc1cccc(Br)c1)N/N=C/c1ccc(OCc2ccccc2Cl)cc1 40910642 BVOBJAYUJZSGCF-DHRITJCHSA-N 473.754 5.211 50 10 JKGE COc1cc(/C=N/NC(=O)COc2ccc(C(C)(C)C)cc2Br)ccc1OC(C)C 40950844 PQTASIAYDUBSGL-DHRITJCHSA-N 477.399 5.072 50 10 JKGE Cc1cc(C)c(OCC(=O)N/N=C2/C(=O)N(Cc3cccc4ccccc34)c3ccccc32)c(C)c1 59148774 UNZMVFVPRJJHIL-VEWQFJOQSA-N 477.564 5.211 50 10 JKGE COc1ccc(N/C=C(/C#N)c2nc(-c3cc4cc(Br)ccc4oc3=O)cs2)cc1 100364485 PXXUUXHRVDLZPE-KAMYIIQDSA-N 480.343 5.664 50 10 JKGE CCCN1C(=O)C(C#N)=C(C)/C(=C\c2cn(-c3ccccc3)nc2-c2ccc(Cl)cc2)C1=O 101332759 HOFBVIQMTGJMSE-HYARGMPZSA-N 456.933 5.195 50 10 JKGE C[C@H]1CC(C)(C)N2CCC(C)(C)c3cc(/C=C\C4=CC(=C(C#N)C#N)C=C(C(C)(C)C)O4)cc1c32 101710732 DIWDPVMOQKJXBB-QJRAZLAKSA-N 467.657 7.661 50 10 JKGE COc1cc(Br)c([C@@H](Br)c2cccc(Br)c2)cc1OC 109860426 NMJYBTIZVWIZNX-HNNXBMFYSA-N 464.979 5.713 50 10 JKGE FC(F)(F)c1ccccc1[C@@H](Br)c1cc(Br)c(Br)s1 128270171 DLHYQNIUAGFIOH-SNVBAGLBSA-N 478.953 6.776 50 10 JKGE Cc1cc(Br)c([C@@H](Br)[C@@H]2CCOc3ccccc32)cc1Br 128805866 HKUITGRQGNEQCB-PXAZEXFGSA-N 475.018 6.522 50 10 JKGE Cc1ccc([C@@H](Br)c2ccc(Br)c3ccccc23)cc1Br 130486491 ITSUNRYQZALLAY-GOSISDBHSA-N 469.014 7.158 50 10 JKGE Cc1cc(Br)cc([C@H](Br)c2cc(Br)ccc2Br)c1 131974261 PTDFXAONDCETTC-AWEZNQCLSA-N 497.850 6.767 50 10 JKGE CCCCCCCCOc1ccc(/C=C2\C(=O)N(CCCOC)C(=O)C(C#N)=C2C)cc1OC 214294191 OPGYISDKAAYYQH-XLNRJJMWSA-N 468.594 5.063 50 10 JKGE CCN(CC)c1ccc(N/C=C(/C#N)C(=O)Nc2ccc(I)cc2C)c(C)c1 217254279 VFKLBZMFKKSMSQ-VKAVYKQESA-N 488.373 5.212 50 10 JKGE Brc1cc([C@@H](Br)c2ccc3c(c2)OCCCO3)c(Br)s1 232484636 DMJSCQOUVKEUDE-ZDUSSCGKSA-N 483.019 5.919 50 10 JKGE Cc1cc([C@@H](Br)c2cc(Cl)cc(Br)c2)sc1Br 235862958 COMOROUKNDUXSZ-NSHDSACASA-N 459.428 6.719 50 10 JKGE O=C(O)[C@@H]1Nc2ccc3ccccc3c2[C@@H]2[C@H](Cl)[C@H](Sc3ccccc3[N+](=O)[O-])C[C@@H]12 245232253 RWKZLLKUCHKAOS-PIFKTPJGSA-N 454.935 5.499 50 10 JKGE CC(=NNC(=O)CSc1nnc(-c2ccccc2)n1-c1ccccc1)c1cccc(C(F)(F)F)c1 254439709 YNXOYVJHLQHGIF-UHFFFAOYSA-N 495.530 5.586 50 10 JKGE CCOC(=O)c1c(NN=C2C(=O)N(c3ccccc3)N=C2C)sc(SC#N)c1-c1ccccc1 254488075 PASKBSFXJODBET-UHFFFAOYSA-N 489.582 5.356 50 10 JKGE Fc1ccc(Br)cc1[C@@H](Cl)c1cc(I)cc2c1OCC2 312832845 JWIWAVDKLNKUNF-CQSZACIVSA-N 467.503 5.456 50 10 JKGE Cc1cccc(C(CBr)(CBr)Cc2ncccc2Br)c1 383741720 KJBWUQQVPIFMAR-UHFFFAOYSA-N 462.023 5.423 50 10 JKGE Brc1ccsc1[C@@H](Br)c1cc(I)cc2c1OCC2 394146163 CNBAFEFFMGIPNK-NSHDSACASA-N 499.993 5.534 50 10 JKGE Clc1cc([C@H](Br)c2ccc(Br)o2)c(Cl)c(Cl)c1Cl 405028037 TUXZYEIQWXQWPV-QMMMGPOBSA-N 453.772 7.140 50 10 JKGE CC(C)(C)OC(=O)Nc1ccccc1[C@@H]1COCCCN1CCO[Si](C)(C)C(C)(C)C 616597889 URASVTWMZDCEHK-NRFANRHFSA-N 450.696 5.819 50 10 JKGE CC(C)(C)[Si](C)(C)OCCc1ccccc1[C@@H]1Cc2ccccc2N(Cc2ccccc2)C1 616669306 GNWFXAAGKYAFSI-HHHXNRCGSA-N 457.734 7.597 50 10 JKGE COCc1cc(Br)c([C@H](Br)c2cc(Cl)cc(Br)c2)s1 688150229 ZGAIKVBELGUNKN-GFCCVEGCSA-N 489.454 6.557 50 10 JKGE Clc1cc(Br)cc(Oc2cccc(Br)c2CBr)c1 700428198 OQWIKWPEZJEKCR-UHFFFAOYSA-N 455.371 6.552 50 10 JKGE COc1ccc([C@H](Br)c2scc(Br)c2Br)cc1F 705426179 NQHHAFAZLSAIAW-JTQLQIEISA-N 458.972 5.905 50 10 JKGE CC(C)(C)C[C@H](CBr)NC(=O)c1scc(Br)c1Br 705439483 RDMFYKVOBGLCKM-SSDOTTSWSA-N 462.045 5.203 50 10 JKGE C[C@@H](Cl)c1nc2cc(F)ccc2n1CC1(N(Cc2ccccc2)Cc2ccccc2)COC1 705783340 NJVFISZMDWDFLQ-HXUWFJFHSA-N 463.984 5.947 50 10 JKGE Clc1cccc(COc2ccc(Br)cc2CBr)c1Br 719385298 USRZKLOLJMTXGA-UHFFFAOYSA-N 469.398 6.339 50 10 JKGE Cc1ccccc1NC(=O)/C(C#N)=C\c1cc(Br)ccc1OCc1ccc(F)cc1 725425193 FAIYXGVPYBZXNF-UNOMPAQXSA-N 465.322 6.021 50 10 JKGE CCOC(=O)c1ccc(-n2c(C)cc(/C=C(\C#N)C(=O)Nc3cccc(Cl)c3Cl)c2C)cc1 1083915901 DMBDLEOXVGKPSW-CPNJWEJPSA-N 482.367 6.123 50 10 JKGE Cc1cc(C=NNC(=O)CSCc2ccc([N+](=O)[O-])cc2)c(C)n1-c1cccc(Cl)c1 1084013884 HIXIZUOSGOXUQZ-UHFFFAOYSA-N 456.955 5.039 50 10 JKGE COc1cc(/C=C(\C#N)C(=O)Nc2cccc(Cl)c2Cl)ccc1OCc1ccccc1Cl 1084151518 WPJLKYMXPFABLA-GZTJUZNOSA-N 487.770 6.780 50 10 JKGE Cc1cccc(-n2c(C)c(Br)c(C=NNC(=O)CSc3ccccc3)c2C)c1 1084369438 ZFFTYKMSSBQMLB-UHFFFAOYSA-N 456.409 5.407 50 10 JKGE C=CCc1cc(C=NNC(=O)CC[C@@H](O)c2ccccc2)ccc1OCc1ccc(Cl)cc1Cl 1084558703 FZWVBZZPUBFKCJ-RUZDIDTESA-N 497.422 6.265 50 10 JKGE COc1ccc(/C(C#N)=C/c2ccc(OC(=O)c3cccc(Br)c3)c(OC)c2)cc1 1615066144 UPRAHIFEMVLOGQ-XDHOZWIPSA-N 464.315 5.750 50 10 JKGE CCOc1ccc2ccccc2c1C=NNC(=O)COc1cc(C)c(Br)cc1C(C)C 1772753924 HLBXMJGFUUBPCD-UHFFFAOYSA-N 483.406 5.962 50 10 JKGE CN(CC(=O)c1ccc(O[Si](C)(C)C(C)(C)C)c(O[Si](C)(C)C(C)(C)C)c1)Cc1ccccc1 1848441535 XMQKLTWAGRGSLY-UHFFFAOYSA-N 499.844 7.769 50 10 JKGE O=C(N/N=C1\C(=O)N(Cc2ccccc2Cl)c2ccccc21)c1ccc(C(F)(F)F)cc1 1860823192 XDNCDKWRAJAHEF-RRAHZORUSA-N 457.839 5.040 50 10 JKGE N#CC1=C(N)Oc2c(c(C(F)(F)F)nn2Cc2ccc(F)cc2)[C@@H]1c1c(F)cccc1Cl 1865685733 MEKSCRORMONAJE-HNNXBMFYSA-N 466.797 5.100 50 10 JKGE C=CCOc1ccccc1[C@H]1C(C#N)=C(N)Oc2c1c(-c1ccc(OC)cc1)nn2-c1ccc(C)cc1 1865691591 VYXZSCJTRQHNNZ-SANMLTNESA-N 490.563 5.639 50 10 JKGE CCc1nn(Cc2cccc(F)c2)c2c1[C@H](c1ccc(OCc3ccc(C)cc3)cc1)C(C#N)=C(N)O2 1865692651 HIAXLAYEYARXCG-HHHXNRCGSA-N 494.570 5.739 50 10 JKGE CCCOc1cccc([C@@H]2C(C#N)=C(N)Oc3c2c(-c2ccccc2)nn3Cc2cc(C)ccc2C)c1 1865694660 YTWCZKOQCDLYCF-HHHXNRCGSA-N 490.607 6.222 50 10 JKGE CCCCCOc1ccc([C@@H]2C(C#N)=C(N)Oc3c2c(CC)nn3Cc2ccc(F)cc2)cc1OC 1865697054 VQILBJOCARDMGE-RUZDIDTESA-N 490.579 5.429 50 10 JKGE CCCc1nn(Cc2ccccc2)c2c1[C@H](c1ccc(OC(=O)c3ccccc3)cc1)C(C#N)=C(N)O2 1865705266 QFBLDOQFZWDPKX-AREMUKBSSA-N 490.563 5.321 50 10 JKGE N#CC1=C(N)Oc2c(c(C(F)(F)F)nn2-c2ccccc2Cl)[C@H]1c1ccc(Br)cc1 1865714784 QCFSENFRMGFANU-HNNXBMFYSA-N 495.686 5.525 50 10 JKGE Cc1ccc(-c2ccc(C(=O)NNC(=O)c3ccc(OCc4ccccc4)cc3)c(C)n2)cc1 1865757398 ARULNYNANYGLNW-UHFFFAOYSA-N 451.526 5.019 50 10 JKGE COc1ccc([C@H](CC(=O)N[C@H](C)C(=O)Nc2ccc(SC#N)cc2)c2ccccc2)cc1Cl 1867129383 MVMRXJUUFWMLII-VGOFRKELSA-N 494.016 5.587 50 10 JKGE Cc1nc(Nc2ccc(SC#N)cc2)cc(N2CCc3cc4c(cc3[C@H]2c2ccccc2)OCO4)n1 1868480948 XFRISFXHAJTLRS-MUUNZHRXSA-N 493.592 5.983 50 10 JKGE COc1cc2nc(/C(C#N)=C/c3cccc(OCc4ccc(F)cc4)c3)nc(O)c2cc1OC 1872727623 OYTVNXPVJIRUIK-VCHYOVAHSA-N 457.461 5.135 50 10 JKGE CCCCc1ccc(-c2csc(/C(C#N)=C(\O)CCN3C(=O)c4ccccc4C3=O)n2)cc1 1872744912 OHWKKJDVNBFHMB-LNVKXUELSA-N 457.555 5.632 50 10 JKGE Cc1ccc(C)c(-c2csc(/C(C#N)=C(\O)[C@@H](C(C)C)N3C(=O)c4ccccc4C3=O)n2)c1 1872749961 PYBRISLMWKOAJA-LAGVDGIJSA-N 457.555 5.540 50 10 JKGE CCOc1ccc(-c2csc(/C(C#N)=C(O)/C=C/c3ccc(C(C)C)cc3)n2)c(OCC)c1 1872755168 BFRZDUHCGINIAJ-GNXKPCOCSA-N 460.599 7.237 50 10 JKGE COc1ccc(-c2csc(/C(C#N)=C(\O)COc3cc(C)c(Cl)c(C)c3)n2)cc1Cl 1872757462 HMCPRWXYBZOBCN-MNDPQUGUSA-N 461.370 6.614 50 10 JKGE COc1cc(C)c(-c2csc(/C(C#N)=C(\O)c3ccc(N4CCOCC4)c([N+](=O)[O-])c3)n2)cc1C 1872758073 KCRLZJANZKEBBE-CLCOLTQESA-N 492.557 5.130 50 10 JKGE COc1ccc(/C=C/C(O)=C(\C#N)c2nc(-c3ccc(OC)c(OC)c3OC)cs2)cc1OC 1872759018 AYGWATFFGXCYJX-VJOPBKQLSA-N 480.542 5.359 50 10 JKGE N#C/C(=C\c1ccc(OC(=O)c2ccccc2)cc1)c1nc(-c2ccc3c(c2)CCCC3)cs1 1872782282 ATMXDSGGFWROIT-PCLIKHOPSA-N 462.574 6.972 50 10 JKGE N#C/C(=C\c1ccccc1OCc1ccc(Cl)cc1)c1nc(-c2ccc(Cl)s2)cs1 1872794554 IRDOGDCUCJQEBC-GZTJUZNOSA-N 469.418 7.822 50 10 JKGE O=C(c1cc(C(F)(F)F)ccc1Cl)N(Cc1ccccc1)C1(CBr)CCC1 1915765709 OHHBAJDGXJHPBO-UHFFFAOYSA-N 460.721 6.319 50 10 JKGE CN(C[C@@H](Cl)COCc1ccccc1)C(=O)c1ccc(Br)c(C(F)(F)F)c1 1916368001 AXTSRRLBGSYDRS-OAHLLOKOSA-N 464.709 5.364 50 10 JKGE Cc1c(Br)sc([C@@H](Cl)c2ccc(Br)s2)c1Br 1922928612 AUFDPBPZDYDUFM-QMMMGPOBSA-N 465.457 6.734 50 10 JKGE COc1ccc([C@H](Br)c2c(Br)sc(Br)c2Cl)s1 1923070597 CRMSQIPSAHPMDL-ZETCQYMHSA-N 481.456 6.481 50 10 JKGE COc1cccc(Br)c1[C@H](Br)[C@H](C)c1ccncc1Br 1924064159 AHTOBINYIYIMFN-RFAUZJTJSA-N 463.995 5.855 50 10 JKGE Brc1sc(Br)c([C@@H](Br)[C@@H]2[C@H]3CCC[C@H]32)c1Br 1924576733 RSIYVKREWSBRNA-FJDLHZNMSA-N 493.884 6.518 50 10 JKGE O=C(NC[C@@H]1CCC2(CCC2)[C@@H]1Br)c1cc(Br)sc1Br 1924806015 TWPYLBHODYSYIH-GZMMTYOYSA-N 486.067 5.347 50 10 JKGE Clc1c(Br)ccc(CBr)c1N(Cc1ccccc1)C1CCCC1 1939328063 HNINHDHGWUDWJI-UHFFFAOYSA-N 457.637 6.947 50 10 JKGE Clc1cc(Br)c([C@@H](Cl)c2cccc(Br)c2Br)s1 1948825557 IORHTWHSYXXGDR-JTQLQIEISA-N 479.846 7.017 50 10 JKGE O=C(OCC1c2ccccc2-c2ccccc21)N1CC(CCCCC[C@H]2CCSS2)(C(=O)O)C1 1951898859 ALWTXIJMWFFGBJ-IBGZPJMESA-N 497.682 6.426 50 10 JKGE Brc1ccc(Br)c([C@@H](Br)C2(Br)CCC2)c1 1960894185 FETJIPXPXCJQHD-SNVBAGLBSA-N 461.817 5.965 50 10 JKGE Fc1cc(Cl)c([C@H](Br)c2sccc2I)cc1Cl 2024601981 OHLZQXRRQCYBNO-JTQLQIEISA-N 465.940 6.283 50 10 JKGE CCc1sc(Br)cc1[C@@H](Br)c1ccc(Cl)cc1Br 2030223020 SCMZUJDLCPWCNB-ZDUSSCGKSA-N 473.455 6.973 50 10 JKGE BrCc1ccc(N2CC[C@@]3(CCN(Cc4ccccc4)C3)C2)cc1Br 2044884585 JRGVDTCUSDUMRG-OAQYLSRUSA-N 464.245 5.446 50 10 JKGE CC(C)(C)C(=O)n1ccc2cc(O[Si](C)(C)C(C)(C)C)cc(B3OC(C)(C)C(C)(C)O3)c21 2069813017 DGWKTUKSNQBAKA-UHFFFAOYSA-N 457.496 6.011 50 10 JKGE CCN(C[C@](C)(CI)OCC1CC2(C1)CC21CC1)C(=O)OC(C)(C)C 2072213337 SCNBWPBXOSFDKQ-VDUSKEEQSA-N 463.400 5.034 50 10 JKGE Cc1cc(Br)c(CBr)c(N2CC[C@]2(C)CCOCc2ccccc2)c1 2077086195 SDODCVXUJPMQCH-OAQYLSRUSA-N 467.245 6.228 50 10 JKGE Oc1ccc(Cn2nc(CCl)c(I)c2C(F)(F)F)cc1C(F)(F)F 2079207517 HGGMETYWZVLILL-UHFFFAOYSA-N 484.565 5.018 50 10 JKGE Cc1c(F)ccc([C@@H](Br)c2csc(Br)c2Br)c1C 2083351585 KJRGKDBLRUDWRR-LLVKDONJSA-N 457.000 6.513 50 10 JKGE CN(C(=O)c1cc(Br)sc1Br)C1(CCBr)CCC1 2085080897 LORWTHYKCXVEOT-UHFFFAOYSA-N 460.029 5.053 50 10 JKGE Cc1cc([C@H](Br)c2ccc(Br)cc2I)ccc1F 2086148811 GKWNSISAWMCMRA-AWEZNQCLSA-N 483.944 5.986 50 10 JKGE Brc1cc([C@H](Br)c2ccccc2OCc2ccccc2)cc2c1OCC2 2090458595 REDUGNBKJWXMFT-NRFANRHFSA-N 474.192 6.447 50 10 JKGE FC1(F)CCN(Cc2c(Br)cccc2Br)C[C@@H]1CBr 2094089620 YMCYCVCSMLEDQH-VIFPVBQESA-N 461.970 5.064 50 10 JKGE Cc1c(Br)sc([C@H](Br)[C@H]2CC[C@@]3(C2)CC3(F)F)c1Br 2099915055 JQTHJLLERDYUJH-LPBBDHJYSA-N 479.022 6.843 50 10 JKGE Cc1cc(Br)c([C@H](Br)[C@@]23COC[C@H]2C3(F)F)cc1Br 2105468767 JTBUHFJQADUTPX-GRYCIOLGSA-N 460.938 5.238 50 10 JKGE CN(C(=O)c1csc(Br)c1Br)C1(CBr)CCCCC1 2113815599 HWPACJUYYWJMEH-UHFFFAOYSA-N 474.056 5.443 50 10 JKGE Fc1c(Br)ccc(Cl)c1C[C@@H](Br)c1cccc(Br)c1 2122153985 PYLXUVWSSAASFN-GFCCVEGCSA-N 471.389 6.683 50 10 JKGE Cc1cc(Br)c(C)c([C@H](Br)[C@@]23CCCC[C@H]2C3)c1Br 2136366889 MALZHMGIZISAFL-KNXALSJPSA-N 451.040 6.845 50 10 JKGE Cc1cc(Br)c(C)c([C@H](Br)[C@@H]2C[C@@H]2[C@H]2C[C@H]2C)c1Br 2136366991 MURGNUQVXGZFAP-YTPIQHTRSA-N 451.040 6.557 50 10 JKGE CCN[C@@H](c1c(C)c(Br)cc(C)c1Br)[C@H]1C[C@@H](Br)C1 2136380810 CSBGAUYIUCSTOR-JRPNMDOOSA-N 454.044 5.653 50 10 JKGE Cc1cc(Cl)c(Br)cc1[C@@H](Br)c1cccc(Br)c1F 2137642415 IONBUPDCUVKSFX-ZDUSSCGKSA-N 471.389 6.797 50 10 JKGE Cc1c(Br)ccc([C@H](Br)C[C@H]2CCCC2(F)F)c1Br 2138862544 GKMFCBYYFQHGRX-BXKDBHETSA-N 460.982 6.782 50 10 JKGE Clc1csc([C@H](Br)c2cc(Br)c3c(c2)CCCO3)c1Cl 2152527459 FOJKQNUIIHFDDS-LLVKDONJSA-N 457.014 6.627 50 10 JKGE Cc1csc([C@@H](Br)c2cc(Br)c3c(c2)C[C@@H](C)O3)c1Br 2157027344 YFHRGYBWQBCBIL-OQPBUACISA-N 481.047 6.389 50 10 JKGE Cc1cc(Br)c([C@H](Br)c2cc3c(s2)CCOC3)cc1Br 2159483665 QMMRCOZZBOBMDQ-HNNXBMFYSA-N 481.047 6.139 50 10 JKGE ClCc1nc2cc(Br)c(Cl)cc2n1CC1(CCOCc2ccccc2)CC1 2159871091 IHLANYBEQSYQAP-UHFFFAOYSA-N 468.222 6.578 50 10 JKGE CCOc1ccc([C@H](Cl)c2cc(I)ccc2F)c(Br)c1 2169667806 JJSDHVJJKMHQPR-HNNXBMFYSA-N 469.519 5.920 50 10 JKGE COc1ccc(Br)c(CC[C@@H](Br)c2ccccc2Br)c1 2169746477 BGJYRFLMVIWDRV-MRXNPFEDSA-N 463.007 6.289 50 10 JKGE Clc1sc([C@H](Br)c2ccc(Br)c3ccccc23)cc1Br 2172568971 IGRAWDSTMZIDHY-CQSZACIVSA-N 495.461 7.564 50 10 JKGE O=C(c1cc(Br)cc(Br)c1)N1C[C@H](Br)CCC12CCC2 2174541262 WTZNADURRNAJJY-LLVKDONJSA-N 466.011 5.134 50 10 JKGE ClCc1nc2cc(Br)c(Cl)cc2n1C[C@@H]1COCCN1Cc1ccccc1 2194649634 NORBDEFBTUJKNV-OAHLLOKOSA-N 469.210 5.092 50 10 JKGE Cc1cc(Br)c(C)c([C@H](Br)[C@@H]2C[C@H]3O[C@H]2[C@@H]2C[C@@H]32)c1Br 2201064938 LVLHSLCMUWTIJL-HSDLRYQZSA-N 465.023 5.688 50 10 JKGE Cc1cc(Br)c(C)c([C@H](Br)C2[C@@H]3CCCCC[C@@H]23)c1Br 2201077256 IZJAVKDTOVWQQO-QFSBIZTOSA-N 465.067 7.091 50 10 JKGE Cc1c(Br)ccc([C@@H](Br)c2cc(Cl)cc(F)c2F)c1Br 2203682423 DZCBVJUMHLHXAI-CYBMUJFWSA-N 489.379 6.936 50 10 JKGE Brc1ccc(CN2CC[C@@H]3CC[C@H](Br)C[C@H]3C2)c(Br)c1 2204114767 SKRJFJDTCWKWMF-UBHSHLNASA-N 466.055 5.597 50 10 JKGE COc1c(C)cc(Br)cc1[C@@H](Br)c1ccc(Br)c(C)c1 2206598759 PVWKHYJHRYCCRC-HNNXBMFYSA-N 463.007 6.321 50 10 JKGE Cc1ccc([C@@H](Br)c2sc(Br)c(C)c2C)cc1Br 2218793246 ZRRJSIODQJOTIE-GFCCVEGCSA-N 453.037 6.683 50 10 JKGE Fc1cc(Br)c(Br)cc1[C@H](Br)[C@@H]1[C@H]2CCCCC[C@H]21 2225614984 BMHJFDYXWQMBHP-MRLZPSRLSA-N 455.003 6.613 50 10 JKGE Cc1oc(C)c([C@H](Br)c2cc(Br)c(Br)cc2F)c1C 2225615199 DTOUCYNJZJHRTO-CQSZACIVSA-N 454.959 6.353 50 10 JKGE CCCCCCC[C@@H](Br)c1c(Br)cc(C)c(Br)c1C 2227349300 RBZHOKJWGXQLCA-CYBMUJFWSA-N 455.072 7.625 50 10 JKGE Cc1cc(Br)c([C@@H](Br)[C@@H]2C(F)(F)C23CC3)c(C)c1Br 2227372474 WQDLTTHVGVXYIF-NEPJUHHUSA-N 458.966 6.310 50 10 JKGE Fc1cccc([C@H](Br)Cc2ccc(Br)cc2Cl)c1Br 2229153653 UISQJBKRWNBKJU-LLVKDONJSA-N 471.389 6.683 50 10 JKGE COc1cc(F)c(Cl)cc1[C@@H](Br)c1ccc(C)c(I)c1 2232835432 SHNSPUMLNAKHLN-HNNXBMFYSA-N 469.519 5.885 50 10 JKGE CCc1ccccc1[C@@H](Br)c1c(Br)cc(C)c(Br)c1C 2235601210 VCADJNIRTWDJAV-QGZVFWFLSA-N 461.035 6.875 50 10 JKGE Cc1cc(Br)c([C@@H](Br)[C@H]2CCCS(=O)(=O)C2)c(C)c1Br 2235614092 FBIHXOUODGVYAL-HZMBPMFUSA-N 489.067 5.089 50 10 JKGE C[C@@H](Br)CN(C(=O)c1scc(Br)c1Br)C1CCC1 2259748954 GMVVHYQXMNADQK-SSDOTTSWSA-N 460.029 5.051 50 10 JKGE Fc1cc(Br)c(F)c(Br)c1[C@H](Br)[C@H]1CC[C@H](F)C1 2260084094 ZRKGPLUBOIOTHM-JFWOZONXSA-N 450.918 6.064 50 10 JKGE CCc1cscc1[C@H](Br)Cc1cc(Br)cc(Br)c1 2263518466 FBZZPEZDNVKINI-CQSZACIVSA-N 453.037 6.514 50 10 JKGE Cc1cc(Br)c([C@H](Br)c2ccccc2I)c(C)c1F 2264487843 NGCVRIMMQFBXBE-CQSZACIVSA-N 497.971 6.294 50 10 JKGE CC1(C)C[C@H]([C@@H](Br)c2c(F)cc(Br)c(F)c2Br)CO1 2272724210 NTGGVUXOMCQYJI-QUBYGPBYSA-N 462.954 5.741 50 10 JKGE CC[C@@H]1OCC[C@@H]1[C@@H](Br)c1c(F)cc(Br)c(F)c1Br 2272737295 BSQCHDBNYAIVJT-DQBIJJQNSA-N 462.954 5.741 50 10 JKGE Cc1cc(Br)c([C@H](Br)[C@@]23C[C@@H](CO2)C3(C)C)cc1Br 2273630063 ZUNZSSQWBSJIGG-DYQSUWPFSA-N 453.012 5.771 50 10 JKGE COc1ccc([C@H](Cl)c2ccc(Cl)c(Br)c2)c(Br)c1Cl 2283554947 RGBCJOWRGCNQEU-CYBMUJFWSA-N 459.392 6.855 50 10 JKGE Cc1ccc(C[C@@H](Br)c2c(F)cc(Br)c(F)c2Br)cc1 2288362846 KMEHKDAKMKOCOB-SNVBAGLBSA-N 468.961 6.477 50 10 JKGE Fc1cc(Br)c(F)c(Br)c1[C@H](Br)C[C@@H]1C[C@H]2CC[C@H]1C2 2288373357 IGSCGQHIEBUZJV-AATLWQCWSA-N 472.993 6.752 50 10 JKGE COc1ccc(NC(=O)C(C#N)=Cc2cccc(OC(=O)c3ccc(Cl)cc3)c2)c([N+](=O)[O-])c1 2293606133 MYNDOVOCPWBCBK-UHFFFAOYSA-N 477.860 5.022 50 10 JKGE CCc1ccc(NC(=O)C(C#N)=Cc2cn(Cc3ccc4ccccc4c3)c3ccccc23)cc1 2294187385 IMHVJQKGDOHBPN-UHFFFAOYSA-N 455.561 6.951 50 10 JKGE COc1cc2c(cc1NC=C(C#N)c1nc(-c3cc4ccccc4oc3=O)cs1)oc1ccccc12 2295948602 UVWLKAWCUUGOGG-UHFFFAOYSA-N 491.528 6.801 50 10 JKGE Cc1ccc(F)c(NC=C(C#N)c2nc(-c3cc4cc(Br)ccc4oc3=O)cs2)c1 2296769433 JSRDAJHDYNKCMS-UHFFFAOYSA-N 482.334 6.103 50 10 JKGE FC1(F)C[C@]12C[C@H]2[C@@H](Br)c1ccc(OCc2ccccc2)cc1Br 2299487926 BBAWGOPAKNKWLD-SZMVWBNQSA-N 458.140 6.509 50 10 JKGE C[C@@]1([C@@H](Br)c2cc(Br)ccc2OCc2ccccc2)CCCCO1 2299520800 CHXHNNQVYHLHNH-PMACEKPBSA-N 454.202 6.423 50 10 JKGE COCc1ccc([C@H](Br)c2csc(Br)c2Br)s1 2299904548 NBTQQJYIVGPLBH-SECBINFHSA-N 461.038 5.965 50 10 JKGE Fc1c(Br)cc(Cl)c([C@@H](Br)c2cccs2)c1Br 2300172020 LBFFFBJJTGZKDM-VIFPVBQESA-N 463.391 6.550 50 10 JKGE O[C@H](c1c(Cl)cc(Br)c(F)c1Br)[C@H]1C[C@@H](Br)C1 2300207274 XUCFQZUSENSZOV-XOGFGSHOSA-N 451.355 5.211 50 10 JKGE CCOc1cc(C=C(C#N)c2ccc([N+](=O)[O-])cc2)cc(Cl)c1OCc1cccc2ccccc12 2313541026 LVCITTZCVCEGMS-UHFFFAOYSA-N 484.939 7.443 50 10 JKGE C[C@H](C[C@@H](Br)c1ccc(OCc2ccccc2)cc1Br)CC(C)(C)C 2314499267 AQMOMNQXCOCCKX-OXQOHEQNSA-N 468.273 7.927 50 10 JKGE Cc1ccc(N2C(=O)[C@@H](Cc3ccc(C(C)C)cc3)SC2=C(C#N)C(=O)Nc2ccccc2)cc1C 2314591909 HNBOANADCLOAEZ-HHHXNRCGSA-N 495.648 6.492 50 10 JKGE CCCCCCN1C(=O)C(=Cc2ccc(OCc3ccccc3F)c(OCC)c2)C(C)=C(C#N)C1=O 2314610868 NJGHPQFTXOOIKA-UHFFFAOYSA-N 490.575 5.976 50 10 JKGE CCCCOc1ccc(C=C(C#N)C(=O)Oc2ccc(-c3ccccc3)cc2Br)cc1 2314735380 RVUNDCORIKUSMS-UHFFFAOYSA-N 476.370 6.808 50 10 JKGE C[C@@H]1CC[C@@H]([C@H](Br)c2c(Cl)cc(Br)c(F)c2Br)O1 2315450048 XQEFLRYZAWPQMD-OOSDCERQSA-N 465.382 6.008 50 10 JKGE CC1(C)CC[C@@H](Cc2ccc(I)c(Br)c2)C[C@@H]1Br 2325189156 KIBGUNQSROZAQY-FZMZJTMJSA-N 486.029 6.186 50 10 JKGE C[C@@H](c1ccccc1)N1C[C@@H](C(O)=C(C#N)c2nc(-c3cccc([N+](=O)[O-])c3)cs2)CC1=O 2331232897 WSDNGXLMYUEDNL-YJBOKZPZSA-N 460.515 5.121 50 10 JKGE N#CC(=C(O)CCCOc1ccc(Br)cc1Cl)c1nc(-c2ccccc2)cs1 2331304013 GWCMDWYXFFUQIS-UHFFFAOYSA-N 475.795 6.878 50 10 JKGE N#CC(=C(O)COc1ccc(Cl)cc1Cl)c1nc(-c2ccc(Oc3ccccc3)cc2)cs1 2331359011 PKSKPEGFGLVPBY-UHFFFAOYSA-N 495.387 7.781 50 10 JKGE COc1cc(OC)c(-c2csc(C(C#N)=C(O)COc3ccc(C)cc3C(C)(C)C)n2)cc1Cl 2331378662 NABYCCFYXQPZKK-UHFFFAOYSA-N 499.032 6.958 50 10 JKGE Fc1cc(Br)c(Br)cc1[C@@H](Br)[C@]12COC[C@H]1C2(F)F 2333605346 KHLHFJZPPZHNDP-MXWKQRLJSA-N 464.901 5.068 50 10 JKGE Fc1cc(Br)c(Br)cc1[C@@H](Br)[C@H]1CC[C@@H]2[C@H]1C2(F)F 2333605819 YYCPBWVOSDOIDX-OFJDZMCQSA-N 462.929 6.078 50 10 JKGE Cc1cc([C@@H](Br)c2c(F)cc(Cl)c(Br)c2Cl)sc1Cl 2335291022 RORPAODRTMKXPZ-SNVBAGLBSA-N 467.412 7.403 50 10 JKGE COc1csc([C@H](Br)c2c(Cl)cc(Br)c(F)c2Br)c1 2337111720 AGVCWTPUBYAQSA-JTQLQIEISA-N 493.417 6.559 50 10 JKGE Cc1cc(Br)c(F)c(Br)c1[C@H](Br)[C@@H]1CCC[C@H](C)O1 2339658367 HHIHGKZNGXIFPO-PTOFAABTSA-N 458.991 6.053 50 10 JKGE Cc1cc(Br)c(F)c(Br)c1[C@@H](Br)[C@]1(C)CCCCO1 2339659810 WRIHJYFPHQWLBP-KGLIPLIRSA-N 458.991 6.054 50 10 JKGE COc1c(Br)cc(C)c([C@@H](Br)C2(CF)CCC2)c1Br 2339675974 UALBGPJBJZGTLQ-CYBMUJFWSA-N 458.991 6.104 50 10 JKGE Cc1cc(Br)c(F)c(Br)c1[C@H](Br)C[C@@H]1C[C@@H]1C1CC1 2339678833 JDWGEKGXUUWEHM-HBNTYKKESA-N 455.003 6.531 50 10 JKGE CC(C)(C)[C@](C)(CBr)COCc1ccc(Cl)cc1I 2352104226 MSLBFVIUADLWRE-OAHLLOKOSA-N 459.593 5.909 50 10 JKGE Cc1cc(Br)c(C(C)C)cc1[C@H](Br)c1sncc1Br 2352799953 PWLBTOGHISVKLK-ZDUSSCGKSA-N 468.052 6.584 50 10 JKGE Fc1cc([C@@H](Cl)c2c(F)cc(Cl)c(Br)c2Cl)ccc1Br 2360494003 SOJXXOCBHSLBSM-GFCCVEGCSA-N 465.346 7.125 50 10 JKGE Clc1ccc(CN2CC[C@@H]3[C@H](Br)CCC[C@H]3C2)cc1I 2362374402 YIPIQICFLRWUAC-MELADBBJSA-N 468.604 5.330 50 10 JKGE Fc1ccc(C(F)F)c([C@H](Br)c2c(Cl)sc(Br)c2Cl)c1 2363674959 BVHAIAIUOIKVAX-QMMMGPOBSA-N 468.947 7.378 50 10 JKGE O=C(Nc1ccc(CCl)c(F)c1)c1cc(Br)ccc1I 2367665627 DALRCPIAUAERKI-UHFFFAOYSA-N 468.491 5.184 50 10 JKGE COc1c(Br)cc(C)c([C@@H](Br)[C@H]2O[C@H]3CC[C@H]2C3)c1Br 2380648518 QHUZJDYXCRREHU-DIUUZDHRSA-N 469.011 5.532 50 10 JKGE CCNC(=O)/C(C#N)=C\c1cn(-c2ccccc2)nc1-c1ccc(OCc2ccc(F)cc2)cc1 33378965 ZCZMXQAXIUPONZ-JWGURIENSA-N 466.516 5.300 50 10 JKGE CC(C)(C)[C@@H]1CCc2nc(NC(=O)/C(C#N)=C\c3ccc(-c4ccccc4Cl)o3)sc2C1 33629119 DOQOQCWWEOQVGF-RTYFKUQISA-N 466.006 6.753 50 10 JKGE CCCSc1ccc(-c2nn(-c3ccccc3)cc2/C=C(\C#N)c2nc3ccccc3[nH]2)cc1 33713955 VNLDIWSKDGBGLG-HEHNFIMWSA-N 461.594 6.982 50 10 JKGE Cc1cc(C)c(NC(=O)/C(C#N)=C\c2cc(C)n(-c3ccc(Br)cc3)c2C)c(C)c1 33748286 QIJMHKGDCGPHHD-BKUYFWCQSA-N 462.391 6.328 50 10 JKGE C=CCOc1ccc(-c2nn(-c3ccccc3)cc2/C=C(/C#N)c2nc3ccccc3s2)c(C)c1 33915233 LDCIKTCKAIMHLF-FXBPSFAMSA-N 474.589 7.086 50 10 JKGE N#C/C(=C\c1ccc(-c2c(Cl)cccc2Cl)o1)C(=O)Nc1ccc([N+](=O)[O-])cc1Cl 35519410 IVPWBLCTCMQURK-DHZHZOJOSA-N 462.676 6.361 50 10 JKGE CCCOc1ccc(C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@@H]3c2ccc(CC)cc2)cc1 38677184 NGLIALAMFZBAHE-AREMUKBSSA-N 454.526 5.475 50 10 JKGE CSc1ccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4ccccc4Br)ccc32)cc1 38682105 MSSGNEVOQMZFLE-QFIPXVFZSA-N 493.382 5.608 50 10 JKGE CCCOc1cccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4cccc5ccccc45)ccc32)c1 38684455 XVKQPHHVJCXLNR-NDEPHWFRSA-N 476.532 6.066 50 10 JKGE CCOc1ccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)COc4ccc(C(C)(C)C)cc4)ccc32)cc1 38685875 JASXIGVPCOQYPP-MUUNZHRXSA-N 498.579 5.585 50 10 JKGE Cc1c(C(=O)Nc2cc(Cl)ccc2Cl)oc2c1/C(=N/NC(=O)c1ccccn1)CCC2 40814308 WUCJKNFECHOIGC-JFLMPSFJSA-N 457.317 5.013 50 10 JKGE Cc1cccc2c1NC(=O)/C2=N\NC(=O)CSc1c(Cl)c(Cl)c(Cl)c(Cl)c1Cl 59158575 ZNLXUWAUFPUVSA-UHFFFAOYSA-N 497.618 5.827 50 10 JKGE N#C/C(=C/c1cn(Cc2c(F)cccc2Cl)nc1-c1ccccc1)C(=O)Nc1sccc1C#N 96438551 IQXCGDCXEQHKPE-WQRHYEAKSA-N 487.947 5.870 50 10 JKGE Fc1ccc(Br)c(C[C@H](CBr)Cc2ccc(Br)cc2)c1 97183371 NIUXBAQZSYJVRK-GFCCVEGCSA-N 464.998 6.147 50 10 JKGE CS(=O)(=O)c1ccc([C@@H](Br)c2cc(Cl)c(Br)cc2F)cc1 97896106 VNHKNXSZORUHBN-CQSZACIVSA-N 456.558 5.129 50 10 JKGE C[C@@H]1CCCC[C@@H]1NC(=O)[C@@H](c1ccc(Cl)cc1)N(CCc1ccccc1Cl)C(=O)CCl 97914252 GVZMDHMDUGNGNW-OUPRXKBMSA-N 495.878 6.040 50 10 JKGE N#C/C(=C/Nc1cc(C(F)(F)F)ccc1Cl)c1nc(-c2cccc([N+](=O)[O-])c2)cs1 100481130 WHWCHEUHWGJNIQ-XFXZXTDPSA-N 450.829 6.367 50 10 JKGE Cc1cccc(N/C(SCc2ccccc2F)=C(\C#N)S(=O)(=O)c2ccccc2)c1C 104689540 RNRKGPVSXYFIAU-VHXPQNKSSA-N 452.576 5.954 50 10 JKGE Brc1cc([C@H](Br)c2ccc3c(c2)OCCO3)c(Br)s1 109870082 AOZQIWKAUXPAGP-GFCCVEGCSA-N 468.992 5.529 50 10 JKGE Brc1ccc([C@@H](Br)c2csc3c(Br)cccc23)o1 163380453 LCRDKNVCNKWRSF-LBPRGKRZSA-N 450.977 6.504 50 10 JKGE Cc1ccc(Br)cc1[C@@H](Br)c1csc2c(Br)cccc12 163510862 GGZYEVRSMLLJST-OAHLLOKOSA-N 475.043 7.219 50 10 JKGE CC(C)(C)[Si](C)(C)OC[C@@H](C(=O)OCc1ccccc1)N(Cc1ccccc1)Cc1ccccc1 195816438 GEXPYQRWGJWCOB-NDEPHWFRSA-N 489.732 6.823 50 10 JKGE CCOc1ccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)/C=C\c4ccc(C)cc4)ccc32)cc1OC 205649192 QFNCVYXUSKYSNO-FWUNHMAASA-N 482.536 5.239 50 10 JKGE COc1cc(Br)c(Oc2ccc(CBr)cc2)cc1Br 218338405 SYZMMWCFRIKKTQ-UHFFFAOYSA-N 450.952 5.907 50 10 JKGE Cl[C@H](c1ccc2c(c1)CCCC2)c1cc(I)ccc1Br 236046667 RWUWZNBULHLLFX-QGZVFWFLSA-N 461.568 6.261 50 10 JKGE CC(C)CCC[C@H](C)[C@@H]1CC[C@@H]2[C@H]3CC=C4CC[C@@H](OC(=O)CCCl)C[C@]4(C)[C@@H]3CC[C@]12C 252587399 YALMZSOWQWEZFX-YRQGZSEKSA-N 477.173 8.569 50 10 JKGE Cc1cccc(C(=O)Oc2ccc3ccccc3c2C=NNC(=O)COc2ccccc2C)c1 254479260 CFFHLGDUNUORPY-UHFFFAOYSA-N 452.510 5.205 50 10 JKGE CC(=NNC(=O)CSCc1ccc(Cl)cc1)c1cccc(NC(=O)c2ccccc2)c1 254514285 PDXZHFKMADGLOP-UHFFFAOYSA-N 451.979 5.366 50 10 JKGE aggregator ClCc1cnc(Oc2ccc(Br)cc2Br)c(Br)c1 310645983 VWPDKBMSSXUVCZ-UHFFFAOYSA-N 456.359 5.900 50 10 JKGE Fc1cc(F)c(F)c([C@@H](Cl)c2cc(Br)ccc2I)c1F 396032466 NJXFLSDDXKCWCT-NSHDSACASA-N 479.436 5.938 50 10 JKGE Cc1cc(Br)c([C@@H](Br)c2csc(C)c2C)cc1Br 399982302 HLYRQKKSBATSDG-CQSZACIVSA-N 453.037 6.683 50 10 JKGE CC(C)(C)OC(=O)N1CCc2ccccc2[C@@H]1c1cccc(CO[Si](C)(C)C(C)(C)C)c1 616676924 RLFSGQHEZBCOJA-DEOSSOPVSA-N 453.699 7.091 50 10 JKGE Cc1cccc(Br)c1[C@@H](Br)c1ccc(F)c(Br)c1F 691638759 ZRUSWXIRPKKOKG-LBPRGKRZSA-N 454.934 6.283 50 10 JKGE Cn1cc([C@H](Br)c2csc3c(Br)cccc23)nc1Br 698450439 FIDMUKVKWJGDHN-LLVKDONJSA-N 465.008 5.644 50 10 JKGE O=C1Cc2cc([C@H](Br)c3ccsc3Br)c(Br)cc2N1 698578322 YRVWHKDSWXCAAP-GFCCVEGCSA-N 465.992 5.252 50 10 JKGE CCc1ccc(NC(=O)/C(C#N)=C/c2cc(Br)c(Sc3ccc(Cl)cc3)o2)cc1 1083976988 RZKGSFUNNMLWEF-RVDMUPIBSA-N 487.806 6.955 50 10 JKGE COc1cccc(C(=O)NN=Cc2cc(Br)c(Sc3ccc(Cl)cc3)o2)c1 1084101404 FPKKTLUHDGFAHH-UHFFFAOYSA-N 465.756 5.619 50 10 JKGE Cc1ccc(NC(=O)/C(C#N)=C/c2ccc(-c3cc(Cl)c(Br)c([N+](=O)[O-])c3)o2)cc1 1084262527 HNHNDPLJYMNNSE-RIYZIHGNSA-N 486.709 6.125 50 10 JKGE COc1cc(C=NNC(=O)CC[C@@H](O)c2ccccc2)ccc1OCc1cccc2ccccc12 1084272516 URIPJNRMRZHCJG-AREMUKBSSA-N 468.553 5.391 50 10 JKGE CCOc1cc(C=NNC(=O)c2cc3ccccc3o2)cc(Cl)c1OCc1ccccc1C#N 1084506890 FILYKKWSXSZZSG-UHFFFAOYSA-N 473.916 5.699 50 10 JKGE CC(C)COC(=O)NN=Cc1nc(-c2ccccc2Cl)c2cc(Br)ccc2n1 1772742807 DVWHTEVTTIIMIP-UHFFFAOYSA-N 461.747 5.429 50 10 JKGE COc1ccc(-c2nn(Cc3ccc(F)cc3)c3c2[C@@H](c2cccc(Cl)c2)C(C#N)=C(N)O3)cc1 1865683473 FHQMTOPDTACOFK-QHCPKHFHSA-N 486.934 5.618 50 10 JKGE CCOc1cccc([C@@H]2C(C#N)=C(N)Oc3c2c(C(F)(F)F)nn3-c2cccc3ccccc23)c1 1865690723 ZNOGDUDIOFTNAX-OAQYLSRUSA-N 476.458 5.661 50 10 JKGE CCOc1ccc([C@H]2C(C#N)=C(N)Oc3c2c(-c2ccccc2)nn3Cc2ccccc2Cl)cc1 1865694156 QQYCPWBPMHIQKV-DEOSSOPVSA-N 482.971 5.869 50 10 JKGE CCCCCCOc1ccc([C@@H]2C(C#N)=C(N)Oc3c2c(CC)nn3-c2ccc(C)cc2)cc1OC 1865695943 JEQGXTCUUWGYJX-AREMUKBSSA-N 486.616 5.929 50 10 JKGE CCN(CC)c1ccc([C@H]2C(C#N)=C(N)Oc3c2c(C(F)(F)F)nn3Cc2cc(C)ccc2C)cc1 1865702635 XYIHZUDMFGWJOH-QFIPXVFZSA-N 495.549 5.631 50 10 JKGE CCN(CC)c1ccc([C@@H]2C(C#N)=C(N)Oc3c2c(-c2ccccc2)nn3-c2ccc(C)cc2)cc1 1865702686 ZGCOJTBXOKWPDU-AREMUKBSSA-N 475.596 5.912 50 10 JKGE COC(=O)c1ccc([C@@H]2C(C#N)=C(N)Oc3c2c(-c2ccccc2)nn3Cc2cc(C)ccc2C)cc1 1865709106 NUQRXXHLZVUJEQ-RUZDIDTESA-N 490.563 5.220 50 10 JKGE N#CC1=C(N)Oc2c(c(C(F)(F)F)nn2-c2ccccc2)[C@@H]1c1ccc(C(F)(F)F)cc1 1865710849 JWSRGPGWBPMOHI-OAHLLOKOSA-N 450.342 5.128 50 10 JKGE CCOC(=O)c1c(NC(=O)/C(C#N)=C/c2ccccc2)sc(C(=O)OCc2ccccc2)c1C 1865911575 RWGHHBNEMIJRMK-XSFVSMFZSA-N 474.538 5.136 50 10 JKGE CCc1nc(Nc2ccc(SC#N)cc2)cc(N2CCC(Oc3ccc(Cl)cc3)CC2)n1 1868277740 HBUCSGCUYOVEKM-UHFFFAOYSA-N 466.010 6.057 50 10 JKGE COc1ccc(-c2c(C)c3ccc(OCc4ccc(CCl)cc4)cc3oc2=O)cc1OC 1871437097 XYBGYTUVAVYUIQ-UHFFFAOYSA-N 450.918 6.103 50 10 JKGE COc1ccc(-c2csc(/C(C#N)=C(\O)[C@@H]3CC(=O)N(c4cc(Cl)ccc4OC)C3)n2)cc1 1872746137 UFMSIHMGBUOJCT-VKWHMPGMSA-N 481.961 5.326 50 10 JKGE COc1ccc(/C=C(C(/O)=C(\C#N)c2nc(-c3ccc(F)cc3)cs2)\c2ccccc2)cc1 1872751719 BQZQBQBFZUMMFR-ZCKZALKTSA-N 454.526 6.991 50 10 JKGE COc1cc(/C=C/C(O)=C(\C#N)c2nc(-c3ccc(C(C)C)cc3)cs2)ccc1OC(C)=O 1872752263 UHBHIQQEDQYTNG-WZAXJXDISA-N 460.555 6.373 50 10 JKGE COc1ccc(OC)c(/C=C/C(O)=C(\C#N)c2nc(-c3cc(C)c(Cl)cc3OC)cs2)c1 1872757166 SUSNPLAVMXFNBQ-GTCCBDGYSA-N 468.962 6.304 50 10 JKGE COc1c(Cl)cc(Cl)cc1-c1csc(/C(C#N)=C/c2ccc(OCc3ccccc3)cc2)n1 1872792923 XRAHHEOAGDCDAW-YBFXNURJSA-N 493.415 7.769 50 10 JKGE COc1cc(/C=C(\C#N)c2nc(-c3cc(Cl)c(OC)c(Cl)c3)cs2)ccc1OC(C)C 1872794671 OYLHWOKKTAGSTR-FRKPEAEDSA-N 475.397 6.985 50 10 JKGE FC1(F)CC[C@@H](Br)[C@@H](Cc2ccc(Br)cc2Br)CC1 1881848558 DPQUKXUHMXHKCN-ZYHUDNBSSA-N 460.982 6.343 50 10 JKGE CC[C@H](Br)CN(Cc1ccccc1)C(=O)c1sccc1I 1915114001 DXYTWUIJWOPIII-ZDUSSCGKSA-N 478.193 5.169 50 10 JKGE BrC[C@H](C1CC1)N(Cc1ccccc1)c1ncc(Br)cc1Br 1915169282 GLRUEWAJQQVSTF-MRXNPFEDSA-N 489.049 5.787 50 10 JKGE COc1ccc(Br)cc1[C@@H](Cl)c1sc(Br)c(C)c1Br 1922897901 QPKASQRFCWYEBU-LLVKDONJSA-N 489.454 6.681 50 10 JKGE Cc1ccc([C@@H](Cl)c2sc(Br)cc2Br)c(Br)c1 1922943687 WKODOCCBDYDPHT-LLVKDONJSA-N 459.428 6.672 50 10 JKGE Fc1cccc(C[C@@H](Br)c2sc(Br)cc2Br)c1F 1922946377 QMNDDIVNNHJALW-SSDOTTSWSA-N 460.963 6.230 50 10 JKGE Cc1coc(C)c1[C@H](Cl)c1c(Br)sc(Br)c1Br 1924568571 IPFNLTKGEUKIFD-VIFPVBQESA-N 463.416 6.574 50 10 JKGE Fc1ccc(C[C@@H](Cl)c2c(Br)sc(Br)c2Br)cc1 1924585869 RHTSWZOJVGWZFD-MRVPVSSYSA-N 477.418 6.697 50 10 JKGE Clc1c(Br)sc(Br)c1[C@@H](Cl)c1csnc1Br 1925271446 RJSXQZGLONUMCR-BYPYZUCNSA-N 486.863 6.474 50 10 JKGE CO[C@@H]1C[C@]2([C@H](Cl)c3c(Br)sc(Br)c3Br)C[C@@H]12 1951248044 XPLONYUTCDOOPX-VHTKCDHQSA-N 465.432 5.741 50 10 JKGE CCc1nc(C(=O)N(Cc2ccccc2)[C@@H](CBr)C2CC2)c(Br)s1 2003571153 WJWXLZQVXYTCDX-AWEZNQCLSA-N 472.246 5.284 50 10 JKGE Fc1ccc([C@H](Br)c2cc(I)sn2)c(F)c1Br 2007647780 NXIWBFNHUFZIQK-QMMMGPOBSA-N 494.924 5.273 50 10 JKGE Cc1cc(Br)c([C@@H](Br)CC(F)(F)C(F)F)cc1Br 2047856031 AQSIUOZGLOJYKK-VIFPVBQESA-N 456.897 6.247 50 10 JKGE CC[C@@]12CC[C@@]([C@H](Br)c3cc(Br)sc3Br)(CO1)C2 2082039698 PLXMSDCEBVMBGF-WXHSDQCUSA-N 459.041 6.058 50 10 JKGE Cc1oc(Br)cc1[C@H](Cl)c1ccc(Br)c(C)c1Br 2083331763 CJLHBXBSFVHQRM-CYBMUJFWSA-N 457.387 6.512 50 10 JKGE BrCC(CBr)(CCOc1ccc(Br)cc1)C1CCC1 2089704284 BLYFBFQNUIPTQE-UHFFFAOYSA-N 455.028 5.794 50 10 JKGE CC1(C)CCN(Cc2ccc(Br)cc2Br)C[C@@H]1CBr 2092259798 BBLNZBJJOPKJLN-LBPRGKRZSA-N 454.044 5.455 50 10 JKGE Fc1ccc(Oc2cc(Br)cc(F)c2CBr)c(Br)c1 2114263862 FRWZUMNRXLOTJX-UHFFFAOYSA-N 456.906 6.177 50 10 JKGE CC12CC([C@H](Br)c3c(Br)sc(Br)c3Cl)(C1)C(C)(C)O2 2121885347 IPVSAJAGLQWDEK-MWBRBAFOSA-N 493.486 6.710 50 10 JKGE Clc1c(Br)ccc(CBr)c1OCc1ccccc1Br 2135998076 YDTBOYBFHAAONZ-UHFFFAOYSA-N 469.398 6.339 50 10 JKGE CC[C@]1([C@@H](Br)c2c(C)c(Br)cc(C)c2Br)CCCO1 2136367895 CABHAANUWGYGOY-LSDHHAIUSA-N 455.028 6.224 50 10 JKGE Cc1cc(Br)c(C)c([C@@H](Br)CC[C@H]2CCCO2)c1Br 2136379790 OCZLMEGXQHHHSS-NEPJUHHUSA-N 455.028 6.224 50 10 JKGE Cc1cc(Br)c(C)c([C@@H](Br)[C@]23CO[C@](C)(C2)C3)c1Br 2137918198 FOGNUQFDMGXNTI-RBSFLKMASA-N 453.012 5.834 50 10 JKGE Cc1c(Br)ccc([C@@H](Cl)c2cc(F)ccc2Br)c1Br 2138863788 MUMWRSFRPTXKTQ-CQSZACIVSA-N 471.389 6.750 50 10 JKGE CO[C@H]1C[C@@H]([C@H](Br)c2ccc(Br)cc2Br)C[C@H]1OC 2138870318 IJFGOLUWUGMTTI-ISTUKMMPSA-N 457.000 5.088 50 10 JKGE Cc1cc([C@@H](Cl)c2ccc(Br)cc2I)cc(C)c1F 2142286756 HUADNEDXXOBHDT-CQSZACIVSA-N 453.520 6.138 50 10 JKGE Cc1cc(Br)ccc1[C@H](Br)c1cc(Br)c2c(c1)CCO2 2146627853 LPVRABFBZLMVIM-OAHLLOKOSA-N 460.991 5.939 50 10 JKGE C[C@@]1(C2CC2)CN(c2c(CCl)ccc(Br)c2Cl)CCN1Cc1ccccc1 2154372263 BJGHQHRXDAMAOQ-QFIPXVFZSA-N 468.266 6.332 50 10 JKGE Cc1cc2nc(CCl)n(-c3ccc(I)cc3)c2cc1Br 2158583710 AQGAMMNJEGJJMJ-UHFFFAOYSA-N 461.528 5.440 50 10 JKGE CN(C(=O)c1cc(Br)cc(Br)c1)[C@@H]1CCCCC[C@H]1Br 2172547519 OFVXEINERXTFSV-ZIAGYGMSSA-N 468.027 5.380 50 10 JKGE O=C(N[C@H](CBr)[C@@H]1CC=CCC1)c1ccc(Br)cc1Br 2196154101 CNDYSOHPIKLXRE-QMTHXVAHSA-N 466.011 5.061 50 10 JKGE Clc1ccc(I)c(CN2CCCC23CCC(Br)CC3)c1 2202259434 HIMQJHOXNNUCIP-UHFFFAOYSA-N 468.604 5.617 50 10 JKGE Cc1sc([C@@H](Cl)c2sc(Br)cc2Br)cc1Br 2210614128 LWWJXGRZYFSDKQ-SECBINFHSA-N 465.457 6.734 50 10 JKGE Cl[C@@H]1CCCC[C@H](c2sc(Br)c(Br)c2Br)C1 2212190426 XKXYWGXZUDXXSE-NKWVEPMBSA-N 451.449 6.691 50 10 JKGE Cc1ccc(Br)c([C@@H](Br)c2c(C)sc(Br)c2C)c1 2218801001 PPODFUXEOCTXCD-CYBMUJFWSA-N 453.037 6.683 50 10 JKGE Cc1ccc([C@@H](Br)Cc2c(Cl)cccc2Cl)cc1I 2224631895 WTKOWMRFAOUVMI-LBPRGKRZSA-N 469.975 6.585 50 10 JKGE Cc1cc(Br)c([C@@H](Br)[C@H]2CCCC2(F)F)c(C)c1Br 2227354224 WJABVCWIOPWFNF-RNCFNFMXSA-N 460.982 6.700 50 10 JKGE CCO[C@@H]1CC[C@H]([C@H](Br)c2c(Br)cc(Cl)c(Cl)c2Cl)C1 2232510541 HPMILWYJUIINFF-SXMVTHIZSA-N 465.440 7.051 50 10 JKGE Brc1ccc(CN2CC[C@@H]3[C@H](Br)CCC[C@H]3C2)c(Br)c1 2233856341 XOYOQHLGLYDGKT-TUKIKUTGSA-N 466.055 5.597 50 10 JKGE Fc1cc(Br)c(Br)cc1[C@H](Cl)c1ccsc1C(F)(F)F 2233978010 XYXWEYGWLVXLFZ-SNVBAGLBSA-N 452.492 6.759 50 10 JKGE Cc1cc(C)c([C@@H](Br)c2sc(C)c(Br)c2C)c(C)c1Br 2234467889 DFERLGVTEPEAOH-OAHLLOKOSA-N 481.091 7.300 50 10 JKGE Cc1cc(Br)c([C@H](Br)[C@@H]2C[C@]2(C)C(F)(F)F)c(C)c1Br 2235602235 YCTXYICBYVWNFJ-CKLFPEKLSA-N 478.972 6.853 50 10 JKGE C[C@](CI)(OCCCCCC1CC1)c1ccccc1Br 2238734699 GVPBDCJYYSVMLY-QGZVFWFLSA-N 451.186 6.086 50 10 JKGE CCc1cc([C@H](Br)c2cc(C)c(Br)s2)sc1Br 2248012253 GAUISCPBVJFOEH-SNVBAGLBSA-N 459.066 6.690 50 10 JKGE Cc1cc(Br)sc1[C@@H](Br)c1cc(F)c(Br)cc1Cl 2255967637 IVFCYCFJYDBIII-NSHDSACASA-N 477.418 6.858 50 10 JKGE CCc1cc([C@H](Br)c2c(Br)sc(C)c2C)sc1Br 2255971458 HPBIPSJUBQNQHB-NSHDSACASA-N 473.093 6.998 50 10 JKGE Clc1cccc([C@H](Br)Cc2cccc(Br)c2)c1Br 2256127506 MYGXOBKEIOKJAM-GFCCVEGCSA-N 453.399 6.544 50 10 JKGE BrCc1cc(Br)c(OC[C@@H]2CCC23CCC3)c(Br)c1 2266152313 LAMATKUJMOXMIB-NSHDSACASA-N 453.012 6.066 50 10 JKGE COc1ccc([C@@H](Br)Cc2ccc(Br)cc2)cc1I 2269557099 SMZMJRNPZFLCDY-ZDUSSCGKSA-N 495.980 5.741 50 10 JKGE Cc1cc(Br)c([C@@H](Br)c2sc(C)c(C)c2Br)c(C)c1F 2279148773 IYQSZOPHLFTQHR-CYBMUJFWSA-N 485.054 7.130 50 10 JKGE N#CC(=Cc1ccccc1OC(=O)c1cccc2ccccc12)C(=O)Nc1ccccc1C(F)(F)F 2294511000 OONVAIXCJLJHNY-UHFFFAOYSA-N 486.449 6.623 50 10 JKGE COc1cccc(C=C(C#N)C(=O)Nc2ccccc2C(F)(F)F)c1OCc1ccc(F)cc1 2294519841 SRRFMSMVYBXRDN-UHFFFAOYSA-N 470.422 5.978 50 10 JKGE FC1(F)[C@H]2C[C@@H]([C@@H](Br)Cc3cc(Br)cc(Br)c3)CC[C@H]21 2295343211 SPDALLVMNQZGQZ-VZLIPTOUSA-N 472.993 6.199 50 10 JKGE CC(C)c1ccc(NC=C(C#N)c2nc(-c3cc4c(ccc5ccccc54)oc3=O)cs2)cc1 2295902642 COUIVWWPRPGPJA-UHFFFAOYSA-N 463.562 7.170 50 10 JKGE Cc1ccc(C[C@@H]2SC(=C(C#N)C(=O)N3CCCCCC3)N(c3ccccc3)C2=O)cc1Cl 2296507226 YWUDSZZMBDXOQB-QHCPKHFHSA-N 480.033 5.477 50 10 JKGE CCOC(=O)c1sc(NC=C(C#N)c2nc(-c3ccc(C)cc3C)cs2)c(C(=O)OCC)c1C 2296789927 BRKGZLYSFZKLME-UHFFFAOYSA-N 495.626 6.127 50 10 JKGE C[C@@]1([C@@H](Br)c2cc(Br)ccc2OCc2ccccc2)CCCOC1 2299491796 ASGBLHNTLUPIOU-VQTJNVASSA-N 454.202 6.281 50 10 JKGE C[C@@H]1CC[C@@H](C[C@H](Br)c2cc(Br)ccc2OCc2ccccc2)O1 2299536639 ZLWIHCIUAVDSDB-LJHODMEESA-N 454.202 6.422 50 10 JKGE CO[C@@H]1C[C@@H]1[C@H](Br)c1c(Cl)cc(Br)c(F)c1Br 2300174347 PFTQULKONKRVET-QTLDAMRXSA-N 451.355 5.475 50 10 JKGE Cc1cccc(NC(=O)C(C#N)=Cc2cn(Cc3ccc(Br)cc3)c3ccccc23)c1C 2313667413 MKVYIZNREGTENI-UHFFFAOYSA-N 484.397 6.615 50 10 JKGE CCc1ccccc1NC(=O)C(C#N)=Cc1ccc(OCc2ccc(Cl)cc2Cl)c(OC)c1 2313676542 ALFFPFZTEYLWQZ-UHFFFAOYSA-N 481.379 6.689 50 10 JKGE Cc1ccc(Oc2nc3c(C)cccn3c(=O)c2C=C(C#N)c2nc3ccccc3n2C)c(C)c1 2314437010 ZHMVLDMMXDOUDF-UHFFFAOYSA-N 461.525 5.363 50 10 JKGE N#CC(=Cc1ccc(N2N=C(c3ccccc3)C[C@@H]2c2ccccc2)cc1)c1nc2ccccc2[nH]1 2314482382 JPIKBXUHKUNOIU-SSEXGKCCSA-N 465.560 6.983 50 10 JKGE N#CC(=Cc1ccc(-n2nc(-c3ccccc3)cc2-c2ccccc2)cc1)C(=O)NCCc1ccccc1 2314482516 MXBVUEZFMIIOBL-UHFFFAOYSA-N 494.598 6.472 50 10 JKGE Fc1cc(Cl)ccc1[C@@H](Br)c1cc(Br)ccc1OCc1ccccc1 2314492602 XDLOKUMCMDHCBP-HXUWFJFHSA-N 484.590 7.305 50 10 JKGE Cc1c(Cl)sc(Cl)c1[C@H](Br)c1cccc(Br)c1Br 2314518252 QMPJFHLFGXDZKL-SNVBAGLBSA-N 493.873 7.373 50 10 JKGE Cc1ccc(N2C(=O)[C@@H](Cc3ccccc3Cl)SC2=C(C#N)C(=O)Nc2ccccc2)cc1C 2314591757 DCTPUTGVHOJDJS-XMMPIXPASA-N 488.012 6.022 50 10 JKGE Cc1ccc(C[C@@H]2SC(=C(C#N)C(=O)Nc3ccccc3)N(c3ccc(C)c(C)c3)C2=O)cc1C 2314591836 FXRJMADYFXQARG-SANMLTNESA-N 481.621 5.985 50 10 JKGE Cc1ccc(N2C(=O)[C@H](Cc3ccc(F)cc3)SC2=C(C#N)C(=O)N[C@@H](C)c2ccccc2)cc1C 2314594128 ZMHVFVKPVCFDSQ-FNZWTVRRSA-N 499.611 5.746 50 10 JKGE CCCc1sc(Br)cc1[C@@H](Br)c1cc(Br)c(Cl)s1 2316179957 JSMXYDUVRNXFOP-LLVKDONJSA-N 493.511 7.425 50 10 JKGE Fc1cc(Cl)cc([C@H](Br)c2sc(Cl)cc2I)c1F 2316606676 OSWKNXJFXRBWJD-VIFPVBQESA-N 483.930 6.422 50 10 JKGE Cc1cccc(C)c1OCCCC(O)=C(C#N)c1nc(-c2ccc(Br)cc2)cs1 2331260640 UJEDTPUUZURFNB-UHFFFAOYSA-N 469.404 6.841 50 10 JKGE Cc1ccc(-c2csc(C(C#N)=Cc3ccccc3OCc3ccccc3Cl)n2)cc1C 2331473077 PMLBUOKVYOKSNJ-UHFFFAOYSA-N 456.998 7.724 50 10 JKGE COc1c(Br)cc(C)c([C@H](Br)[C@]2(C)CCCO2)c1Br 2339638575 CFXPSIAYWPKZKC-KBPBESRZSA-N 457.000 5.534 50 10 JKGE FC1(F)[C@H]2C[C@](CCl)(Cc3ccc(I)c(Br)c3)C[C@H]21 2349842173 WJZJPTRTOIJJFH-IWIIMEHWSA-N 461.515 5.497 50 10 JKGE Fc1ccc([C@@H](Br)c2c(F)cc(Cl)c(Br)c2Cl)cc1Cl 2360420915 AMHPYGNPDRGIRH-LLVKDONJSA-N 465.346 7.172 50 10 JKGE Clc1ccc(CC[C@H](Br)CN2CCCCCC2)cc1I 2362371373 PUHXLXVDHDOLLF-AWEZNQCLSA-N 470.620 5.517 50 10 JKGE COc1c(Br)cc(C)c([C@H](Br)[C@@]23CCCC[C@@H]2C3)c1Br 2365187543 BGLVXFWLVBTUOB-HPEXNQPKSA-N 467.039 6.545 50 10 JKGE COc1c(Br)cc(C)c([C@H](Br)[C@H]2C[C@@H]2C(C)(C)C)c1Br 2365188047 HKDDNMSULUHNDC-OUJBWJOFSA-N 469.055 6.647 50 10 JKGE Cc1cc(Br)c(F)c(Br)c1[C@@H](Br)C1CC2(CCCC2)C1 2365222521 DUAMSEOSOKGBEL-ZDUSSCGKSA-N 469.030 7.066 50 10 JKGE CC(C)[C@H](Br)C(C)(C)CN(C)Cc1cccc(Br)c1Br 2365990418 GOZCSJSOBREHOR-HNNXBMFYSA-N 470.087 6.089 50 10 JKGE ClC[C@@]12CCC[C@@H]1N(Cc1ccc(I)c(Br)c1)CCC2 2377342657 INCQOXRSNZAYCM-HOTGVXAUSA-N 468.604 5.427 50 10 JKGE C[C@](CBr)(OCc1cc(I)ccc1Cl)c1ccccc1 2380354139 UYTDFFNWELHDQD-MRXNPFEDSA-N 465.556 5.772 50 10 JKGE COc1ccc(C[C@H]2S/C(=C(\C#N)C(=O)Nc3ccccc3)N(c3ccccc3C)C2=O)cc1 2370822 YZWKCTZVEYVZMG-VECHRTTRSA-N 469.566 5.069 50 10 JKGE CCCCCCOc1ccccc1C(=O)NNC(=O)COc1ccc(C(C)C)cc1Br 14032707 VMFSUVWXUVTCFK-UHFFFAOYSA-N 491.426 5.372 50 10 JKGE CCCCCOc1ccc(/C=C(/C#N)C(=O)Nc2ncc(Cc3cccc(Cl)c3)s2)cc1 15357207 KSGPEUQHRCZRBD-MOSHPQCFSA-N 466.006 6.502 50 10 JKGE COc1ccc(/C=C(\C#N)C(=O)Nc2c(C)cc(C)cc2C)cc1CSc1ccc(C)cc1 20368373 LMWYRAILUMNMDC-OEAKJJBVSA-N 456.611 6.767 50 10 JKGE CCN(CC)C(=O)Oc1ccc2c(ccn2Cc2cc(C)cc(C)c2)c1NC(=O)[C@H](C)Cl 23426054 GRYKTGAPLGDMIW-SFHVURJKSA-N 455.986 5.713 50 10 JKGE CCOc1ccc(-c2c(C)sc(NC(=O)/C(C#N)=C\c3ccccc3OC)c2C(=O)OC)cc1 33743865 NCZMPANHHZMBCO-RGEXLXHISA-N 476.554 5.463 50 10 JKGE Cc1ccc(-c2nc(/C(C#N)=C\C3=Cc4ccccc4O[C@H]3C)sc2NC(=O)c2cccs2)cc1 34982879 MZEKOTZECYVQKS-CEZZIEKDSA-N 495.629 7.204 50 10 JKGE CCOc1ccc(C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@H]3c2ccc(C(C)(C)C)cc2)cc1 38649746 MPNMHEWQDGQBJZ-SANMLTNESA-N 468.553 5.820 50 10 JKGE N#CC1=C(N)Oc2cc(OC(=O)c3cccs3)ccc2[C@H]1c1ccc(OCc2ccccc2)cc1 38650925 WDOXGBZTPWKEGU-AREMUKBSSA-N 480.545 5.764 50 10 JKGE N#CC1=C(N)Oc2cc(OC(=O)COc3ccccc3)ccc2[C@@H]1c1c(Cl)cccc1Cl 38679547 QYVBQDWWUAYFPY-QFIPXVFZSA-N 467.308 5.196 50 10 JKGE COc1cc(/C=N/NC(=O)COc2ccc(C)cc2Br)ccc1OCc1ccc(C)cc1 40911175 WHVUKWKAAFFJIW-MZJWZYIUSA-N 497.389 5.183 50 10 JKGE N#C/C(=C\c1ccc(OC(=O)/C(=C/c2ccccc2)c2ccccc2)cc1)C(=O)NCc1ccco1 40926858 ZEDSHWPEINFEMN-LEIGQCJFSA-N 474.516 5.649 50 10 JKGE CCOc1cccc(NC(=O)/C(C#N)=C/c2cc(C)n(-c3ccc(-c4ccccc4)cc3)c2C)c1 44790423 WYRPSWTUDTZOER-NLRVBDNBSA-N 461.565 6.706 50 10 JKGE Cc1cc(/C=N\NC(=O)CC[C@@H](O)c2ccccc2)c(C)n1-c1ccc(OCc2ccc(F)cc2)cc1 58890719 QATOFOYZNIZGLJ-LIWTUZSWSA-N 499.586 5.776 50 10 JKGE CC1=C(C#N)C(=O)N(Cc2cccnc2)C(=O)/C1=C/c1ccc(-c2cc(Cl)ccc2Cl)o1 101336579 HDYZEKGORPBTCI-VCHYOVAHSA-N 464.308 5.441 50 10 JKGE O=C(C[P+](c1ccccc1)(c1ccccc1)c1ccccc1)c1ccc2cccc3c2c1CC3 105431149 FDSYNFYVHWKZCU-UHFFFAOYSA-N 457.533 6.115 50 10 JKGE CCOc1ccc([C@H](Cl)c2cccc(I)c2)c(Br)c1 126679977 ZSXSRVUXHYMLJE-OAHLLOKOSA-N 451.529 5.781 50 10 JKGE Clc1cc([C@@H](Br)c2cccc(I)c2)sc1Br 127524091 ROBMVSJSSDYWMK-JTQLQIEISA-N 492.401 6.253 50 10 JKGE Cc1cc(Br)c([C@H](Br)c2ccc([N+](=O)[O-])o2)cc1Br 128773209 ROUHSEBDEUPWLL-LBPRGKRZSA-N 453.912 5.506 50 10 JKGE COc1ccc([C@H](Br)c2cc(Br)c(C)cc2Br)c(OC)c1 128834941 PCQNPMRPLKPSRY-INIZCTEOSA-N 479.006 6.022 50 10 JKGE BrCc1cc(OCCOc2cccc(Br)c2)ccc1Br 129048848 AMPBWUYEHCQGSK-UHFFFAOYSA-N 464.979 5.564 50 10 JKGE COc1cc([C@H](Br)c2cc(C)c(Br)s2)c(OC)cc1Br 134295285 JYBHZROUZZZWGU-ZDUSSCGKSA-N 485.035 6.083 50 10 JKGE Brc1ccc(Br)c([C@H](Br)Cc2cccc3ccccc23)c1 161182955 JDGQTWPAVOUDQU-GOSISDBHSA-N 469.014 7.044 50 10 JKGE CCCCCCCCOc1ccc(/C=C2\C(=O)N(CCCCCC)C(=O)C(C#N)=C2C)cc1OC 214246105 IISVGONXNXBZKM-CLCOLTQESA-N 480.649 6.607 50 10 JKGE COc1ccc(-n2c(SCC(=O)NN=C/C=C/c3ccccc3)nnc2-c2ccc(C)cc2)cc1 254483569 FXKHCXQGHRYROC-YZBVLJPJSA-N 483.597 5.159 50 10 JKGE Cc1ccc(N=Nc2ccc(O)c(C=NNC(=O)[C@@H]3C[C@@H]3c3ccc(C(C)(C)C)cc3)c2)cc1C 254594382 DGODHGMOKOFVQE-CLJLJLNGSA-N 468.601 6.976 50 10 JKGE Cc1csc([C@@H](Br)c2scc(C(F)(F)F)c2Br)c1Cl 302627525 PNBIULPQPGKMTE-ZETCQYMHSA-N 454.558 7.037 50 10 JKGE C[C@@H]1CCC[C@@H](COC2(CI)CCN(C(=O)OC(C)(C)C)CC2)C1 304167347 JUPHKPPTXHALCQ-HZPDHXFCSA-N 451.389 5.034 50 10 JKGE Cc1cc(C)c([C@@H](Br)c2sccc2Br)c(C)c1Br 306058319 WDZJJLYTSSEOOM-CYBMUJFWSA-N 453.037 6.683 50 10 JKGE C[C@@H]1C[C@H](n2c(CCl)nc3cc(Br)c(F)cc32)CCN1Cc1ccccc1 379602104 CQIIFZSEHGBNKU-GDBMZVCRSA-N 450.783 5.902 50 10 JKGE CC(C)c1ccc([C@@H]2CN(C(=O)OCc3ccccc3)C[C@H]2CI)cc1 382697139 LLKRUPGBWJDYJD-RTWAWAEBSA-N 463.359 5.597 50 10 JKGE COc1ccc([C@H](Br)c2cc(Br)ccc2I)s1 384012027 PYYLQDXAORFNJA-GFCCVEGCSA-N 487.982 5.608 50 10 JKGE Clc1cc([C@@H](Br)c2coc(Br)c2)c(Cl)c(Cl)c1Cl 404913854 FZLAZGVNLVDZSO-QMMMGPOBSA-N 453.772 7.140 50 10 JKGE CC(C)(C)[Si](C)(C)OCCc1ccccc1[C@@H]1CCCN(S(=O)(=O)c2ccccc2)CC1 616600557 FFEGRBXXCZSPPQ-JOCHJYFZSA-N 473.755 6.209 50 10 JKGE COc1ccc([C@H](Br)c2occc2Br)c(OC)c1Br 696528386 NRGDXIROHOMWPL-JTQLQIEISA-N 454.940 5.306 50 10 JKGE Clc1cncc(CC(CBr)(CBr)c2cccc(Br)c2)c1 703625223 QPQPQEIMXKZYLC-UHFFFAOYSA-N 482.441 5.768 50 10 JKGE C[C@H](Cl)c1nc2cc(Cl)cnc2n1CC1(N(Cc2ccccc2)Cc2ccccc2)COC1 705608198 DPSNPDKXQSZWSC-IBGZPJMESA-N 481.427 5.856 50 10 JKGE COc1ccc([C@H](Cl)c2cccc(F)c2I)c(Br)c1 721694217 XKCAFERSEBORJC-ZDUSSCGKSA-N 455.492 5.530 50 10 JKGE Cc1cc([C@@H](Br)c2sc(C)c(Br)c2C)sc1Br 724915013 MUNKVLYUVJNCBO-SNVBAGLBSA-N 459.066 6.744 50 10 JKGE CC(C)(C)OC(=O)N1C[C@@H](CI)[C@H](c2cc(C(F)(F)F)ccc2Cl)C1 725423232 IQSDSQFYPCUUQS-ZWNOBZJWSA-N 489.703 5.744 50 10 JKGE O=C(NN=Cc1ccccc1OCc1cccc(F)c1)c1cc2cc(Br)ccc2o1 1084024461 VXLMBBGQZIQOOZ-UHFFFAOYSA-N 467.294 5.677 50 10 JKGE COc1ccc(C(=O)NN=Cc2ccc(Oc3ccc(C(F)(F)F)cc3[N+](=O)[O-])c(OC)c2)cc1 1084165057 KWDNGQPEZREIKZ-UHFFFAOYSA-N 489.406 5.187 50 10 JKGE Cc1cccc(C)c1-n1c(C)cc(C=NNC(=O)CSCc2ccccc2Br)c1C 1084300474 HIKTXSPJXNMTQG-UHFFFAOYSA-N 484.463 5.857 50 10 JKGE COc1cc(C=NNC(=O)C=C(Sc2ccccc2)Sc2ccccc2)cc([N+](=O)[O-])c1O 1084361973 JGAVALSFOZTSNJ-UHFFFAOYSA-N 481.555 5.185 50 10 JKGE O=C(CSc1nc2ccccc2[nH]1)NN=Cc1cccc(OCc2ccc(Cl)c(Cl)c2)c1 1772760530 UUIAPXCNRMCJDI-UHFFFAOYSA-N 485.396 5.691 50 10 JKGE CC(C)c1cc2c(O)nc(CSCCNC(=O)CCCC[C@H]3CCSS3)nc2s1 1860192662 HCPTWJFEFUTOBP-AWEZNQCLSA-N 471.739 5.584 50 10 JKGE Cc1ccc(C)c(Cn2nc(-c3ccccc3)c3c2OC(N)=C(C#N)[C@H]3c2cccc3ccccc23)c1 1865682526 QUPWOAJXGHDDQT-MUUNZHRXSA-N 482.587 6.587 50 10 JKGE CCCc1nn(-c2cccc(Cl)c2)c2c1[C@@H](c1ccc(Cl)cc1Cl)C(C#N)=C(N)O2 1865685186 FJXMPQJKQXKHBW-IBGZPJMESA-N 459.764 6.003 50 10 JKGE CCc1nn(-c2ccc(Cl)c(Cl)c2)c2c1[C@@H](c1c(Cl)cccc1Cl)C(C#N)=C(N)O2 1865686330 TYBQCQMZSKRCND-QGZVFWFLSA-N 480.182 6.266 50 10 JKGE CCc1nn(-c2cccc(Cl)c2)c2c1[C@@H](c1c(OC)ccc3ccccc13)C(C#N)=C(N)O2 1865688080 IPKOJXWUBZHFNQ-HSZRJFAPSA-N 456.933 5.468 50 10 JKGE COc1ccc(OC)c([C@@H]2C(C#N)=C(N)Oc3c2c(-c2ccccc2)nn3-c2cccc(Cl)c2)c1 1865692034 HSESCMGWZBOZLF-HSZRJFAPSA-N 484.943 5.428 50 10 JKGE CCOc1ccc([C@H]2C(C#N)=C(N)Oc3c2c(-c2ccccc2)nn3-c2cccc3ccccc23)cc1 1865693831 MCBPPURPHRIARS-MHZLTWQESA-N 484.559 6.309 50 10 JKGE COc1ccc(-c2nn(-c3ccc(C)cc3)c3c2[C@H](c2ccccc2OC)C(C#N)=C(N)O3)cc1 1865710261 SHHYPPOCGNSSCV-XMMPIXPASA-N 464.525 5.083 50 10 JKGE CCc1nn(Cc2ccc(Cl)cc2)c2c1[C@@H](c1ccc(Br)cc1)C(C#N)=C(N)O2 1865715038 UDTOUYJZHAHEHJ-IBGZPJMESA-N 469.770 5.128 50 10 JKGE COc1cccc(-c2ccc(C(=O)NNC(=O)/C=C/c3cccc(OCc4ccccc4)c3)c(C)n2)c1 1865758912 XJTKJUYNHOLANR-SAPNQHFASA-N 493.563 5.119 50 10 JKGE CCC[C@H](NC(=O)CCc1nc(-c2ccc(F)cc2)cs1)C(=O)Nc1ccc(SC#N)cc1 1867070186 NSMWEDUVPKDZPR-FQEVSTJZSA-N 482.606 5.379 50 10 JKGE N#C/C(=C\c1ccc(OCc2ccc(Cl)c(Cl)c2)cc1)c1cc2c(cc1[N+](=O)[O-])OCCO2 1872728476 DUMPGWRIWQUEOT-RQZCQDPDSA-N 483.307 6.316 50 10 JKGE CCCCc1ccc(-c2csc(/C(C#N)=C(\O)c3cccc(Oc4ccccc4)c3)n2)cc1 1872745013 SUWFNUVOFOBTTP-RFBIWTDZSA-N 452.579 7.895 50 10 JKGE COc1c(Cl)ccc(Cl)c1/C(O)=C(\C#N)c1nc(-c2ccc(C(C)(C)C)cc2)cs1 1872751267 ZIPFXKOPPZRHEV-HKWRFOASSA-N 459.398 7.373 50 10 JKGE CCOc1cc(/C(O)=C(\C#N)c2nc(-c3ccc(F)cc3)cs2)cc(OCC)c1OCC 1872752042 KHTQTVKBZQHTFI-PYCFMQQDSA-N 454.523 6.095 50 10 JKGE C[C@@H](c1ccccc1)N1C[C@@H](/C(O)=C(\C#N)c2nc(-c3cc(Cl)ccc3Cl)cs2)CC1=O 1872758311 UWWJFJSVNZPTNN-YGUNMCQPSA-N 484.408 6.519 50 10 JKGE CCOc1ccccc1OC/C(O)=C(\C#N)c1nc(-c2ccc(OC)c(OC)c2OC)cs1 1872759347 LAMVJJYYYRIHLY-VLGSPTGOSA-N 468.531 5.106 50 10 JKGE COc1ccc(OCCC/C(O)=C(\C#N)c2nc(-c3ccc(OC)c(OC)c3OC)cs2)cc1 1872759451 OYAAYNZFXXMPBM-VZCXRCSSSA-N 482.558 5.496 50 10 JKGE N#C/C(=C\c1c(OCc2ccccc2)ccc2ccccc12)c1nc(-c2cccc3ccccc23)cs1 1872792170 ITXNCMHODYIPHR-LGUFXXKBSA-N 494.619 8.760 50 10 JKGE CC[C@@H](C)c1ccc(S(=O)(=O)N(Cc2ccccc2)[C@@H](CBr)C(C)C)cc1 1915321792 APEFYRFJTNUAGT-GCJKJVERSA-N 452.458 5.811 50 10 JKGE Cc1c(Br)sc([C@H](Br)c2cccc(C(C)(C)C)c2)c1Br 1922906938 OIAVJGNHTJSOPF-CYBMUJFWSA-N 481.091 7.363 50 10 JKGE COc1ccc([C@@H](Br)c2sc(Br)cc2Br)c(OC)c1 1922954808 SHPLCEHAZRNREQ-GFCCVEGCSA-N 471.008 5.775 50 10 JKGE Fc1cc(Br)ccc1[C@H](Cl)c1c(Br)sc(Br)c1Cl 1923039233 NELLHESLTZAKTM-QMMMGPOBSA-N 497.836 7.156 50 10 JKGE COC[C@@]1([C@@H](Br)c2c(Br)sc(Br)c2Cl)CCCO1 1923067459 CUQHRYFMIVGMKJ-GZMMTYOYSA-N 483.447 5.558 50 10 JKGE COc1ccc(Br)cc1[C@@H](Br)[C@H](C)c1ccncc1Br 1924039528 JPQFSUSBGKXUCS-PSLIRLAXSA-N 463.995 5.855 50 10 JKGE Cc1ccc([C@@H](Cl)c2c(Br)sc(Br)c2Br)cc1F 1924585797 QGFJSRVWRHFVNP-SNVBAGLBSA-N 477.418 6.811 50 10 JKGE Cc1sc(Br)c([C@H](Br)c2cc(Cl)c(Br)s2)c1C 1951015111 UWUXTDZHNJWCPC-SECBINFHSA-N 479.484 7.089 50 10 JKGE Clc1ccc([C@@H](Br)c2ccc(Br)cc2I)s1 1995286328 RPBDMFLVXYWOJA-NSHDSACASA-N 492.401 6.253 50 10 JKGE CC(F)(F)[C@@H]1C[C@@H]1[C@@H](Cl)c1c(Br)sc(Br)c1Br 2000495711 WBLSQVQKHGFCJA-PJVAAEDRSA-N 473.402 6.607 50 10 JKGE Cc1cc(Cl)c(Br)cc1[C@H](Br)c1csc(Br)c1 2023698693 UNCQGTIIWQQMDA-GFCCVEGCSA-N 459.428 6.719 50 10 JKGE Cn1ncc(Br)c1[C@H](Br)c1cc(Br)c(Cl)cc1F 2036580200 SPHMDTJNJGWFBJ-SNVBAGLBSA-N 461.354 5.222 50 10 JKGE C[C@H]1CCN(c2c(CBr)ccc(Br)c2Cl)CCN1Cc1ccccc1 2036841112 YZJGGQACPXBDBB-HNNXBMFYSA-N 486.679 6.098 50 10 JKGE Cc1cc(C=C(C#N)c2nc3c(s2)C[C@@H](C)CC3)c(C)n1-c1ccc(Br)cc1 2040465207 COOYYYZPIPYIJJ-AWEZNQCLSA-N 452.421 6.502 50 10 JKGE Brc1cc([C@H](Br)[C@H]2C[C@H]3COC[C@H](C3)C2)c(Br)s1 2085754346 QCICODVLIJUDEI-JXVAYASWSA-N 459.041 5.772 50 10 JKGE C[C@@H](c1ccccn1)[C@H](Br)c1ccc(Br)cc1I 2086149673 QPZVRXTZMVCCRV-XPTSAGLGSA-N 480.969 5.688 50 10 JKGE O=C(c1cc(Br)c(Br)s1)N1CC[C@@H]2C[C@H](Br)CC[C@H]21 2087664737 RHRQHXQABUEUDV-NQMVMOMDSA-N 472.040 5.051 50 10 JKGE FC1(F)C2(CCC2)[C@]1(CBr)Cc1cccc(Br)c1Br 2093473880 NIHCCOLMQVYQIO-CYBMUJFWSA-N 458.966 5.955 50 10 JKGE Cc1c(Br)sc([C@@H](Br)[C@@H]2CCCCC23CCC3)c1Br 2117007109 JQPGJSNPKBRMDS-JQWIXIFHSA-N 471.096 7.378 50 10 JKGE Brc1cc([C@H](Br)[C@H]2C[C@H]2C2CCCCCC2)sc1Br 2135279525 NBTHTDSGLUNMKG-COPLHBTASA-N 471.096 7.316 50 10 JKGE Cc1cc(Br)c(C)c([C@@H](Br)C2CCC(C)CC2)c1Br 2136379914 PEDWQIMJYOOLNT-HPORSDFZSA-N 453.056 7.091 50 10 JKGE CC(C)(C)OC(=O)N1CCC[C@@](CI)(OC2CC3(C2)CC2(CCC2)C3)C1 2140250224 KNPIHDVPLBXCSB-NRFANRHFSA-N 475.411 5.321 50 10 JKGE CC1(C)CC[C@H](Br)[C@H](Cc2ccc(I)c(Cl)c2)CC1 2142953109 MVXLVMSPAIKNCN-STQMWFEESA-N 455.605 6.467 50 10 JKGE CC[C@](C)(Cn1c([C@H](C)Cl)nc2cc(I)ccc21)N(C)Cc1ccccc1 2155091029 FLNKNPXKJJOIKQ-KSFYIVLOSA-N 495.836 6.241 50 10 JKGE COC1CC2(C1)CC(CBr)(Cc1c(Br)cccc1Br)C2 2156579109 HNPYFCDWECBXLG-UHFFFAOYSA-N 467.039 5.724 50 10 JKGE CCCOc1ccc([C@H](Br)c2cc(C)sc2Br)cc1Br 2157250104 ZXYMKJIGGUUPRO-AWEZNQCLSA-N 483.063 6.855 50 10 JKGE Cn1cnc(Cl)c1CC(CBr)(CBr)c1ccccc1Br 2168232588 XLULHUOELUUIPB-UHFFFAOYSA-N 485.445 5.106 50 10 JKGE Fc1c(CC[C@H](Br)c2ccc(Br)cc2)ccc(Cl)c1Br 2169788681 FMFUQVBTQBGVED-LBPRGKRZSA-N 485.416 7.073 50 10 JKGE BrC[C@@]1(Cc2ccc(Br)cc2Br)CCCCC12CCC2 2173610591 BUUYHKLNTJMNCA-KRWDZBQOSA-N 465.067 6.880 50 10 JKGE Cc1cc(Br)c(C)c([C@@H](Br)[C@@H]2[C@H]3[C@H]4CC[C@@H](C4)[C@H]32)c1Br 2201073143 LVWHBOXWPIHJEB-NETPZMIPSA-N 463.051 6.557 50 10 JKGE COC1CC2(C1)CC([C@H](Br)c1ccc(Br)c(C)c1Br)C2 2203683116 KCAISLDBYDRWLR-SQGCJCFSSA-N 467.039 6.161 50 10 JKGE COc1c(Br)cc(C)cc1[C@H](Br)c1c(Br)nn(C)c1C 2203817394 VIXULLUCZWGSJY-LBPRGKRZSA-N 466.999 5.055 50 10 JKGE CCc1sc(Br)cc1[C@@H](Br)c1scc(Br)c1C 2213775183 PYTKPWYIYJYSFF-LLVKDONJSA-N 459.066 6.690 50 10 JKGE Cc1cc(Br)c([C@H](Br)[C@@H]2OC[C@@H]3CCC[C@@H]32)cc1Br 2224922367 CZVOZFLEESIISK-FCIDVOKBSA-N 453.012 5.771 50 10 JKGE Brc1ccc([C@@H](Br)[C@@H]2C[C@H]3CCC[C@H](C3)C2)c(Br)c1 2225322456 TZQJYVOCVLBAEK-LGSVPQMISA-N 451.040 6.864 50 10 JKGE COc1cc(F)ccc1[C@@H](Br)c1ccc(Br)cc1Br 2225607631 CLHHDEDTMDRLGS-AWEZNQCLSA-N 452.943 5.844 50 10 JKGE Fc1cc(Br)c(Br)cc1[C@H](Br)C1(CC2CC2)CCC1 2225617977 SQBIGOFXFGJQFP-AWEZNQCLSA-N 455.003 6.757 50 10 JKGE Cc1cc(Br)c([C@H](Br)[C@@H]2C[C@@H](C)O[C@@H]2C)c(C)c1Br 2227359542 JAZZMGASDMSAGK-ORXWAGORSA-N 455.028 6.078 50 10 JKGE Cc1cc(Br)c([C@H](Br)C[C@@H]2CCO[C@@H]2C)c(C)c1Br 2227360155 PISFPAJFMYSQIB-NTZNESFSSA-N 455.028 6.080 50 10 JKGE Cc1cc(Br)c([C@H](Br)c2c(Br)c(C)nn2C)c(C)c1Cl 2232527725 PKCCIAQTCYVWJU-LBPRGKRZSA-N 485.445 6.008 50 10 JKGE CCOCc1cc(Br)c([C@H](Br)c2nn(CC)cc2Br)s1 2233018432 MFRZMFRAGZKHQO-LLVKDONJSA-N 487.055 5.510 50 10 JKGE Cc1cc2c(cc1Cl)nc([C@@H](C)Cl)n2CC1(N(Cc2ccccc2)Cc2ccccc2)COC1 2236861794 XARYZANGWPXWJC-OAQYLSRUSA-N 494.466 6.769 50 10 JKGE Cc1sc([C@@H](Br)c2cc(Br)cc3c2OCC3)c(Br)c1C 2237629189 GFJSMSGEGLVIJC-ZDUSSCGKSA-N 481.047 6.309 50 10 JKGE COc1ccc([C@H](Br)c2ncsc2Br)c(Br)c1Cl 2256327510 OTLVICUIXOFSJN-QMMMGPOBSA-N 476.415 5.814 50 10 JKGE Cc1ncc(Br)cc1Oc1c(CBr)ccc(Br)c1Cl 2265225375 OTNHJQUQPYVZDR-UHFFFAOYSA-N 470.386 6.256 50 10 JKGE Cc1ccc([C@@H](Cl)c2ccc(Cl)c(I)c2)c(C)c1Br 2268277865 ZPQMOQHFXKMVFP-HNNXBMFYSA-N 469.975 6.652 50 10 JKGE COc1ccc([C@H](Br)c2ccc(Cl)c(F)c2)cc1I 2269545301 QOFNINOWJFAQLZ-CQSZACIVSA-N 455.492 5.577 50 10 JKGE Brc1cc(Br)cc(C[C@H](Br)C2CC[C@@H]3C[C@H]3CC2)c1 2277950157 TYQIMOKJLMZART-IOASZLSFSA-N 451.040 6.344 50 10 JKGE COc1cc(Cl)c(Cl)cc1[C@@H](Br)c1cc(C)ccc1I 2279058411 RSIQLXSSJDDVFG-HNNXBMFYSA-N 485.974 6.399 50 10 JKGE CC(C)c1cc(Br)cc([C@H](Cl)c2c(Cl)sc(Br)c2Cl)c1 2280668588 QBAPLQLBPJBDFT-NSHDSACASA-N 477.476 8.032 50 10 JKGE CCCc1ccc([C@@H](Br)c2cc(Br)c(Br)cc2F)cc1 2283390577 VGKBACXMIIOERC-MRXNPFEDSA-N 464.998 6.788 50 10 JKGE COc1cc(F)c(Br)cc1[C@@H](Cl)c1ccc(Cl)c(I)c1 2283573223 IBMPRZPHVFTECT-AWEZNQCLSA-N 489.937 6.183 50 10 JKGE C=CC[C@@]1(CBr)CCCCN1C(=O)c1cc(Br)c(Br)s1 2287792088 MVYXTPRNCKIYNF-AWEZNQCLSA-N 486.067 5.609 50 10 JKGE Fc1cccc(Br)c1C[C@@H](CBr)Cc1ccc(Br)cc1 2289739487 RGTQRYWIBNRWSI-LBPRGKRZSA-N 464.998 6.147 50 10 JKGE N#CC(=Cc1cc(Cl)c(OCc2ccccc2C#N)c(Br)c1)c1ccc([N+](=O)[O-])cc1 2294229467 XFZLDIOPJDMEHX-UHFFFAOYSA-N 494.732 6.526 50 10 JKGE CC(C)(C)C[C@@H](CBr)NC(=O)Cc1cc(Br)cc(Br)c1 2295307456 JSCXYIJTJSDVOV-ZDUSSCGKSA-N 470.043 5.070 50 10 JKGE COc1c(Br)cc([C@H](Br)c2coc(Br)c2)c(OC)c1C 2295429007 WBRSVVYTQHPJKN-GFCCVEGCSA-N 468.967 5.615 50 10 JKGE Cc1ccccc1NC(=O)C(C#N)=C1S[C@H](Cc2cccc(Cl)c2)C(=O)N1c1ccccc1C 2296506704 BBCLRZTYCJIXLY-XMMPIXPASA-N 488.012 6.022 50 10 JKGE CC(C)OC(=O)c1ccc(NC=C(C#N)c2nc(-c3ccc(Br)cc3)cs2)cc1 2296798318 AQOPJJBHGQSTQD-UHFFFAOYSA-N 468.376 6.114 50 10 JKGE Cc1cccc(NC(=O)C(C#N)=C2S[C@H](Cc3ccc(F)cc3)C(=O)N2c2ccccc2)c1 2296834498 ZAPKLNBDKWUWRW-HSZRJFAPSA-N 457.530 5.199 50 10 JKGE Cc1cccc(CSC(Nc2cc(Cl)ccc2C)=C(C#N)S(=O)(=O)c2ccccc2)c1 2297350126 XZCRBWCXGWNEAF-UHFFFAOYSA-N 469.031 6.469 50 10 JKGE CC(F)(F)C(C)(C)[C@@H](Br)c1cc(Br)ccc1OCc1ccccc1 2299501917 RWHGLMSXNYDVGZ-KRWDZBQOSA-N 462.172 7.146 50 10 JKGE Cc1cc([C@@H](Cl)c2sc(Cl)cc2I)ccc1Br 2301084364 SAAQJLZPRXMOHM-LLVKDONJSA-N 461.977 6.405 50 10 JKGE ClC[C@H](OCc1cc(I)ccc1Cl)[C@@H](Br)CCl 2307206625 MHLCKNMUIAHQNH-ONGXEEELSA-N 472.375 5.071 50 10 JKGE Cc1ccc(NC(=O)C(C#N)=Cc2ccc(OCc3ccc4ccccc4c3)c(Br)c2)cc1 2313568162 OXSWSEBLVFSTBU-UHFFFAOYSA-N 497.392 7.035 50 10 JKGE CCc1ccccc1NC(=O)C(C#N)=Cc1cc(Br)ccc1OCc1ccc(F)cc1 2313671148 KADSMEKKBIBVEQ-UHFFFAOYSA-N 479.349 6.275 50 10 JKGE Cc1c(Cl)sc(Cl)c1[C@H](Br)c1cccc(F)c1I 2314519124 ZXSXJWOZQWGTMG-SECBINFHSA-N 479.967 6.591 50 10 JKGE CC(C)(C)OC(=O)N1CCC(CI)(OCC[C@H]2CC[C@H]2C2CC2)CC1 2319636839 ZMDOPJQKTHEVSP-SJORKVTESA-N 463.400 5.034 50 10 JKGE Cc1cc(Br)c([C@H](Br)[C@H]2C[C@@H]3O[C@H]2[C@H]2C[C@@H]32)cc1Br 2328641381 ARJCADOVIKTHOO-ARPRTSOBSA-N 450.996 5.379 50 10 JKGE CCOC(=O)c1c(NC(=O)C(C#N)=Cc2ccc(F)cc2)sc(C(=O)OCc2ccccc2)c1C 2329639398 NJFBAAQGDVHDGW-UHFFFAOYSA-N 492.528 5.275 50 10 JKGE C[C@@H](Oc1ccc(Cl)cc1Cl)C(O)=C(C#N)c1nc(-c2ccc(-c3ccccc3)cc2)cs1 2331231929 CJVTXXVJXVXXEJ-MRXNPFEDSA-N 493.415 8.044 50 10 JKGE CC(C)(C)c1ccc(OCCCC(O)=C(C#N)c2nc(-c3ccc(Cl)cc3Cl)cs2)cc1 2331254614 GHZBZDYCPRHATK-UHFFFAOYSA-N 487.452 8.066 50 10 JKGE CCOc1cc(C=C(C#N)c2nc(-c3ccc(Cl)c(Cl)c3)cs2)cc(Br)c1O 2331443718 LWDCRECOYUKEDQ-UHFFFAOYSA-N 496.213 7.048 50 10 JKGE C[C@@H]1CCC[C@@H]([C@H](Br)c2c(Cl)cc(Br)c(F)c2Br)C1 2337080217 FGFUXGPBWNAXOI-RWYTXXIDSA-N 477.437 7.266 50 10 JKGE CCC1CC(C[C@H](Br)c2c(Cl)cc(Br)c(F)c2Br)C1 2337088638 OFBSMWCAHKQZOB-HACHORDNSA-N 477.437 7.266 50 10 JKGE CCCCc1ccc([C@H](Br)c2c(Br)c(Br)nn2C)s1 2338692430 CNEYXMVKGSCYBZ-JTQLQIEISA-N 471.056 5.834 50 10 JKGE Cc1cc(Br)c(F)c(Br)c1[C@H](Br)[C@H]1CC2(CC2)CO1 2339655006 WREFFEIGNPEDPJ-MWLCHTKSSA-N 456.975 5.664 50 10 JKGE CC1(C)CC[C@H](Br)[C@@H](Cc2ccc(Cl)cc2I)CC1 2341028910 ZVJJZGMLUXFDRW-RISCZKNCSA-N 455.605 6.467 50 10 JKGE CC(C)(C)OC(=O)NC[C@](C)(CI)OCc1cccc(CC(F)(F)F)c1 2353125076 XGMYSEFGIRFQSU-KRWDZBQOSA-N 487.300 5.026 50 10 JKGE COc1cccc(CBr)c1OCc1ccc(Cl)c(I)c1 2362428609 XAINQKCDNHPPQQ-UHFFFAOYSA-N 467.528 5.427 50 10 JKGE Cc1cc(Br)c(F)c(Br)c1[C@@H](Br)C12CC(C)(C1)O[C@H]2C 2365224243 WERQBELNHHPMTI-YCOBJVBWSA-N 471.002 6.053 50 10 JKGE COc1c(Br)cc(C)c([C@@H](Br)C(F)(F)CC2CC2)c1Br 2365234085 HXSLBZVOHAYYCR-CYBMUJFWSA-N 476.981 6.400 50 10 JKGE C[C@@H]1CCC[C@]12[C@@H](Br)C[C@@H]2OCc1c(Br)cccc1Br 2366183929 BVQWRBWPOYALMR-GCUJQHFUSA-N 467.039 6.070 50 10 JKGE Cc1cc(Br)c(F)c(Br)c1[C@@H](Br)C12CC(C[C@@H](C)O1)C2 2368040335 SMYWSPWHEGSBPO-NOKNRGOQSA-N 471.002 6.053 50 10 JKGE CCOc1ccccc1N/C(SCc1cccc([N+](=O)[O-])c1)=C(/C#N)C(=O)NCc1cccs1 3058966 JACFSBFOZCMREI-HIXSDJFHSA-N 494.598 5.452 50 10 JKGE CCOCCCNC(=O)/C(C#N)=C/c1ccc(OCc2ccc(Cl)cc2Cl)c(OC)c1 3304536 NXHYXGGEKILMJY-WOJGMQOQSA-N 463.361 5.031 50 10 JKGE COc1ccc(NC(=O)/C(C#N)=C/c2c(C)nn(Cc3ccccc3Cl)c2C)cc1Cl 16439984 VFFBDEJLDYTKRX-LICLKQGHSA-N 455.345 5.409 50 10 JKGE Cc1ccc(N2C(=O)[C@H](Cc3cccc(C)c3)S/C2=C(\C#N)C(=O)Nc2ccccc2)cc1 16739826 SJXCSUOVXKLHCW-BSSRNLCFSA-N 453.567 5.368 50 10 JKGE C/C(=N\NC(=O)[C@H]1C[C@@H]1c1ccc(C(C)(C)C)cc1)c1cccc(NC(=O)c2cccc(F)c2)c1 20157907 WQTXVJPUASVZAC-KSAOXHDXSA-N 471.576 6.019 50 10 JKGE COc1cc(/C=N\NC(=O)CSc2nc3ccccc3o2)ccc1OCc1c(F)cccc1Cl 32519982 BNJCPYWXWHHMCJ-PPDIBHTLSA-N 499.951 5.450 50 10 JKGE CCCCCCOc1ccc(-c2nn(-c3ccccc3)cc2/C=C(/C#N)C(=O)NCc2ccco2)cc1 34715605 RHEFKPGUEHVHQT-CLCOLTQESA-N 494.595 6.315 50 10 JKGE CC(C)(C)c1ccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4cccc([N+](=O)[O-])c4)ccc32)cc1 38649902 BLJWZCBFXCSTID-DEOSSOPVSA-N 469.497 5.330 50 10 JKGE CC(C)(C)c1ccc(C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@@H]3c2ccccc2Cl)cc1 38650957 TWNWKYWXVYPPHM-XMMPIXPASA-N 458.945 6.075 50 10 JKGE CC(C)c1ccc(OCC(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@H]3c2cccc(Cl)c2)cc1 38651246 ZKZXIRAAOUWPNF-SANMLTNESA-N 474.944 5.666 50 10 JKGE COc1cccc(C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@H]3c2ccc(Cl)c(Cl)c2)c1 38655687 XEIVWJFORUFDRB-QFIPXVFZSA-N 467.308 5.439 50 10 JKGE CCc1ccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)COc4ccc(Cl)cc4)ccc32)cc1 38676871 MGCSLDYCVCZTCF-RUZDIDTESA-N 460.917 5.105 50 10 JKGE CCCCOc1ccccc1C(=O)Oc1ccc2c(c1)OC(N)=C(C#N)[C@@H]2c1c(F)cccc1Cl 38680690 SPTVSEMFBGTSFW-XMMPIXPASA-N 492.934 6.095 50 10 JKGE CCOc1ccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)[C@H](C)Oc4ccc(CC)cc4)ccc32)cc1 38685921 LFNHPKNAULDJNJ-XRHLQHRESA-N 484.552 5.239 50 10 JKGE N#CC1=C(N)Oc2cc(OC(=O)c3cccs3)ccc2[C@H]1c1cccc(OCc2ccccc2F)c1 38686804 CKSZGKKPBCZWPB-AREMUKBSSA-N 498.535 5.904 50 10 JKGE Cc1c(C(=O)N2c3ccc(F)cc3CC[C@H]2C)oc2c1/C(=N/NC(=O)c1cccc(Cl)c1)CCC2 40813291 KCMVJIFNSMBVBT-FQRZLYOMSA-N 493.966 5.832 50 10 JKGE COc1cc(/C=N/NC(=O)c2ccc(C(C)(C)C)cc2)ccc1OC(=O)c1ccc(Cl)cc1 48573699 OJLVMCRPTLYTLJ-LQKURTRISA-N 464.949 5.629 50 10 JKGE O=C(N/N=C/c1ccc(OCc2cccc(F)c2)cc1)c1cc2cc(Br)ccc2o1 59304131 FUGMBDPXNKXZTR-LGJNPRDNSA-N 467.294 5.677 50 10 JKGE Cc1ccccc1CS/C(Nc1cccc(Cl)c1C)=C(/C#N)S(=O)(=O)c1ccccc1 96482152 FZVTZZRKXVUMFT-VHXPQNKSSA-N 469.031 6.469 50 10 JKGE CC(C)[C@@H](CBr)COc1c(Br)cc(Br)cc1Br 96871128 IBJDSANQQRIANU-QMMMGPOBSA-N 493.859 6.020 50 10 JKGE COc1ccc(Oc2ccc(-n3c(C)cc(/C=C(/C#N)C(=O)NCc4ccco4)c3C)cc2)cc1 97433655 SBAFRHVSWVXUSP-JWGURIENSA-N 467.525 5.711 50 10 JKGE CCN1C(=O)C(C#N)=C(C)/C(=C\c2cn(-c3ccccc3)nc2-c2ccc3ccccc3c2)C1=O 101332433 VXMOBLZMMVLNMH-PCLIKHOPSA-N 458.521 5.305 50 10 JKGE N#C/C(=C/c1ccc(Cl)cc1)c1nc(-c2cccs2)c(NC(=O)c2ccc(Cl)cc2)s1 102620468 VZWTXGMXDDAUKZ-VBKFSLOCSA-N 482.417 7.495 50 10 JKGE CC[C@H](c1nc2ccccc2c(=O)n1-c1ccccc1)N(CCC(C)C)C(=O)C(Cl)Cl 108078290 VUMOGIDZHKJDNU-HXUWFJFHSA-N 460.405 5.515 50 10 JKGE CCCC[C@@H](CC)CC(CBr)(CBr)c1ccccc1Br 118878888 QSVGJDIKAJYCCU-CQSZACIVSA-N 469.099 7.083 50 10 JKGE FC(F)(F)c1cc([C@@H](Cl)c2cc(Cl)c(Br)s2)ccc1Br 124624743 CEMSNRBIJWPKRP-SNVBAGLBSA-N 468.947 7.274 50 10 JKGE Fc1cc(Br)ccc1COc1ccc(Br)c(CBr)c1 129015585 QFKXSCOTUVGKBW-UHFFFAOYSA-N 452.943 5.825 50 10 JKGE COc1cc([C@@H](Br)c2ccc(C)c(Br)c2)c(OC)cc1Br 134302200 BOGZACCSARIQBT-INIZCTEOSA-N 479.006 6.022 50 10 JKGE C[C@@H]1CCC[C@](CBr)(NC(=O)c2ccc(I)c(Cl)c2)C1 232349293 HRNRAIHYELRPFS-BMIGLBTASA-N 470.576 5.018 50 10 JKGE CCOc1ccc(Br)cc1[C@H](Br)c1cc(Cl)cc(Br)c1 233784378 IJDVPYCVSDJROS-OAHLLOKOSA-N 483.425 6.748 50 10 JKGE COc1cc(F)c(Br)cc1[C@@H](Br)c1cc(F)cc(Br)c1 234863639 JNRGGMLLFUHXNV-AWEZNQCLSA-N 470.933 5.983 50 10 JKGE Fc1ccc(COc2c(Br)cc(CBr)cc2Br)c(F)c1 236246605 NJLUTBOGCOMROY-UHFFFAOYSA-N 470.933 5.964 50 10 JKGE COc1ccc(-n2c(SCC(=O)NN=C/C(C)=C/c3ccco3)nnc2-c2ccc(C)cc2)cc1 254739996 HPUOOKABQQMPMU-WLDJWKGASA-N 487.585 5.142 50 10 JKGE CCCCCOc1ccc(C=NNC(=O)Nc2sc3c(c2C(=O)OC)CCCC3)cc1OC 256017573 UEJIFYSWCGHCHC-UHFFFAOYSA-N 473.595 5.147 50 10 JKGE Cc1cc([C@@H](Cl)c2cc(Br)ccc2I)c(C)cc1Cl 300476469 IQYUYVKTZDAQDQ-OAHLLOKOSA-N 469.975 6.652 50 10 JKGE Fc1cc([C@@H](Cl)c2scc(C(F)(F)F)c2Br)ccc1Br 312258679 KQUGRNSMZPZHKE-SNVBAGLBSA-N 452.492 6.759 50 10 JKGE CCOc1cc(Cl)c([C@H](Br)c2cccc(OCc3ccccc3)c2)cc1Cl 312491617 BGIGMEFAMQYEHB-JOCHJYFZSA-N 466.202 7.455 50 10 JKGE Brc1ccc(Br)c([C@H](Br)c2nscc2Br)c1 404760276 HVAVNOMHLWKXQY-VIFPVBQESA-N 490.840 5.915 50 10 JKGE Clc1ccc([C@@H](Cl)c2cc(Cl)c(Cl)c(Cl)c2Cl)c(Br)c1 404873989 ODZCJOPZJCZJLG-SNVBAGLBSA-N 453.805 8.044 50 10 JKGE COCc1cc(Br)c([C@H](Cl)c2cc(Br)ccc2Br)s1 688079315 OEDXLOVAYWDSFF-GFCCVEGCSA-N 489.454 6.510 50 10 JKGE C[C@@H]1C[C@H](n2c(CCCl)nc3ccc(F)c(Br)c32)CN1Cc1ccccc1 689776710 XMDQAMSJNARJFZ-ZBFHGGJFSA-N 450.783 5.555 50 10 JKGE Cc1cc(Br)cc([C@H](Br)c2ccc(F)c(Br)c2F)c1 701064331 VWGMPALNDLQDIU-LBPRGKRZSA-N 454.934 6.283 50 10 JKGE COc1ccc([C@H](Cl)c2ccc(I)c(Br)c2)cc1C 721607630 ZVIRKEPKZGKDNG-HNNXBMFYSA-N 451.529 5.699 50 10 JKGE CN(C)C(=O)/C(C#N)=C/c1ccc(OCc2ccc(Cl)c(Cl)c2)c(Br)c1 1084549908 WQXRXJNZWHXYIA-VGOFMYFVSA-N 454.151 5.330 50 10 JKGE Cc1cc(C=NNC(=O)CSC2c3ccccc3-c3ccccc32)c(C)n1-c1ccccc1Cl 1084558042 NHFQQRSQESLHNR-UHFFFAOYSA-N 486.040 6.701 50 10 JKGE COc1ccc(/C(C#N)=C/c2ccc(OC(=O)c3ccc(Br)cc3)cc2)cc1OC 1615099342 HSRIIAFQOFIVPQ-CPNJWEJPSA-N 464.315 5.750 50 10 JKGE 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 1616183669 IOFXIXOKOAYADV-FMMIORRFSA-N 470.694 6.580 50 10 JKGE Cc1c(C(=O)N(C)Cc2ccccc2)oc2c1C(=NNC(=O)c1ccccc1Br)CCC2 1772743752 HGKPUYPBLLSZEK-UHFFFAOYSA-N 494.389 5.093 50 10 JKGE Cc1c(C(=O)Nc2nc3ccccc3s2)oc2c1C(=NNC(=O)c1ccc(F)cc1)CCC2 1772745358 XIIRKRCLKPYLNJ-UHFFFAOYSA-N 462.506 5.060 50 10 JKGE Cc1c(C(=O)N2c3ccccc3C[C@H]2C)oc2c1C(=NNC(=O)c1cccc3ccccc13)CCC2 1772748812 UJLQIDQTYOUJAP-GOSISDBHSA-N 477.564 5.803 50 10 JKGE N#CC1=C(N)Oc2c(c(-c3ccccc3)nn2-c2ccccc2Cl)[C@@H]1c1ccc(Cl)c(Cl)c1 1865685090 FIWLOWPMSNMPOB-OAQYLSRUSA-N 493.781 6.718 50 10 JKGE C=CCOc1ccccc1[C@@H]1C(C#N)=C(N)Oc2c1c(-c1ccccc1)nn2-c1ccc(OC)cc1 1865691214 MTXGGOQRASVGMZ-RUZDIDTESA-N 476.536 5.331 50 10 JKGE COc1ccc(-c2nn(-c3ccc(Cl)cc3)c3c2[C@@H](c2ccc(F)cc2F)C(C#N)=C(N)O3)cc1 1865701701 CEBHFOCJYMSZHZ-QFIPXVFZSA-N 490.897 5.698 50 10 JKGE N#C/C(=C\c1ccc(Br)cc1)C(=O)Nc1cc(C(F)(F)F)ccc1N1CCCCC1 1866128612 BLYWGANQPYJRAC-FOWTUZBSSA-N 478.312 6.004 50 10 JKGE COc1cccc([C@H](C)CC(=O)N[C@@H](C(=O)Nc2ccc(SC#N)cc2)c2ccccc2)c1 1867113062 KHOFJYFXLRZMRW-IQGLISFBSA-N 459.571 5.258 50 10 JKGE CCc1cccc(CC)c1N1C[C@@H](/C(O)=C(\C#N)c2nc(-c3ccc(OC)cc3)cs2)CC1=O 1872746111 SHJUNLDCLSFEOY-QXUWJFDOSA-N 473.598 5.789 50 10 JKGE CC[C@@H](C)N1C(=O)c2ccc(/C(O)=C(\C#N)c3nc(-c4ccc5ccccc5c4)cs3)cc2C1=O 1873941164 ZGJAKUYYYZVIOY-IEQXMEILSA-N 479.561 6.308 50 10 JKGE BrC[C@@H]1CN(Cc2cccc(Br)c2Br)CC12CCC2 1914528075 DDNGIIQSUTXPTG-GFCCVEGCSA-N 452.028 5.209 50 10 JKGE Clc1ccc([C@H](Br)Cc2ccncc2Br)cc1Br 1924051899 KDUZSSJTZCJIND-SNVBAGLBSA-N 454.387 5.939 50 10 JKGE C[C@@H](c1ccncc1Br)[C@H](Cl)c1cccc(F)c1I 1924057520 VJMLNMWJCBMSFH-SDBXPKJASA-N 454.508 5.671 50 10 JKGE CCCC[C@H](CC)[C@H](Cl)c1c(Br)sc(Br)c1Br 1924583829 PNPNTPGMYJOAKR-XVKPBYJWSA-N 467.492 7.532 50 10 JKGE Fc1ccc(Br)c([C@H](Br)c2c(Cl)sc(Cl)c2Cl)c1 1925587837 MFEXTNJHBQKNQH-QMMMGPOBSA-N 453.385 7.094 50 10 JKGE Cc1cc([C@@H](Br)c2sc(Cl)cc2Br)c(Br)s1 1939963195 YTAMNIYVAOOUDY-MRVPVSSYSA-N 465.457 6.781 50 10 JKGE Fc1cc(Br)ccc1[C@@H](Br)c1sc(Cl)cc1Br 1948827835 DYBXBBRCTUVINO-SNVBAGLBSA-N 463.391 6.550 50 10 JKGE CCc1cc(Br)c([C@@H](Cl)c2ccc(I)c(Cl)c2)s1 2029239858 RSBQDQRLUWUGFA-LBPRGKRZSA-N 476.004 6.659 50 10 JKGE COc1ccc(C)c([C@@H](Br)c2sc(Br)cc2Br)c1 2047194482 AYNIPLJVUBFNMB-GFCCVEGCSA-N 455.009 6.074 50 10 JKGE CC(C)(C)OC(=O)N1CCC(CI)(OC[C@@H]2CC23CCCCC3)CC1 2077652454 ZYAQWFUCRGZKNL-INIZCTEOSA-N 463.400 5.178 50 10 JKGE COc1c(C)cc(Br)cc1[C@H](Br)c1cc(Br)cs1 2085641800 HENXFBXPNZJMPJ-LBPRGKRZSA-N 455.009 6.074 50 10 JKGE ClCc1cc(OCc2ccc(Br)cc2Br)ccc1Br 2092263745 AIMHCVIRTMHWJD-UHFFFAOYSA-N 469.398 6.292 50 10 JKGE FC1(F)CCC[C@@H]2[C@H]([C@@H](Cl)c3c(Br)sc(Br)c3Cl)[C@H]21 2114390786 BVFHIUVNFSQILA-HETMPLHPSA-N 454.989 6.888 50 10 JKGE Brc1ccc(Br)c(CN2CC[C@H]3CC[C@@H](Br)[C@H]2C3)c1 2118524561 KRDDYYLULMOOSW-VCTAVGKDSA-N 452.028 5.350 50 10 JKGE Cc1cc(Br)c([C@H](Br)C[C@@H]2CCC[C@H]3C[C@@H]32)cc1Br 2121004035 UDFMMXNCOMFZNP-CENBSLRLSA-N 451.040 6.782 50 10 JKGE CCn1cc(Br)c([C@@H](Br)c2cc(C)c(Br)cc2C)n1 2124769148 SBVGNTANZJVPME-ZDUSSCGKSA-N 451.000 5.529 50 10 JKGE CC(C)(C)[C@@H]1[C@H](Br)CCN1C(=O)c1scc(Br)c1Br 2128678540 YJEOYYDTWNVXBY-HQJQHLMTSA-N 474.056 5.297 50 10 JKGE Cc1cc(COc2c(Br)cc(Br)cc2CBr)nc(C)n1 2145680206 YDFNGWFZGGRPOC-UHFFFAOYSA-N 464.983 5.092 50 10 JKGE CC1(C)CCN(C(=O)c2cc(Br)cc(Br)c2)C[C@@H]1CBr 2148650045 FSHFSZFANCXPBK-NSHDSACASA-N 468.027 5.095 50 10 JKGE CCc1ccc(CC)c([C@@H](Br)c2cccc(Br)c2Br)c1 2148749412 HSPMOJNIAABPFE-INIZCTEOSA-N 461.035 6.821 50 10 JKGE CC(C)(C)OC(=O)N[C@H]1CN(CCCCCCCCCBr)C[C@@H]1C(F)(F)F 2163057516 CAHUZLQZJOLPSK-HOTGVXAUSA-N 459.391 5.499 50 10 JKGE CN(C[C@H](Br)C1CCCC1)C(=O)c1cc(Br)ccc1Br 2167648054 UEUFCHRPRFKFQF-AWEZNQCLSA-N 468.027 5.237 50 10 JKGE Cc1cc(CBr)cc(S(=O)(=O)N(Cc2ccccc2)C2CCCCC2)c1C 2179861387 GQUSGRUVOZKKGJ-UHFFFAOYSA-N 450.442 5.722 50 10 JKGE C[C@@](F)(CC(CBr)(CBr)c1cccc(Br)c1)C(F)(F)F 2191831049 ZKBNJYBAOYEJCW-LLVKDONJSA-N 484.951 6.157 50 10 JKGE CCc1nn(C)c([C@@H](Br)c2cc(C)c(Br)cc2C)c1Br 2192385759 XGSLULDPQLUDSJ-ZDUSSCGKSA-N 465.027 5.609 50 10 JKGE COC1(C[C@H](Br)c2c(C)c(Br)cc(C)c2Br)CCCC1 2201078350 NZBCRFAHQYVZDM-ZDUSSCGKSA-N 469.055 6.614 50 10 JKGE Cl[C@@H](c1ccc(-c2cccs2)s1)c1cc(I)ccc1Br 2205864470 IGSPJWBMOGWJNP-OAHLLOKOSA-N 495.632 7.172 50 10 JKGE BrCCC=Cc1sc(Br)c(Br)c1Br 2209350177 ZFULLCZVVVMRRW-UHFFFAOYSA-N 453.819 5.834 50 10 JKGE Cc1sc(Br)c(C)c1[C@H](Br)c1cccc(Br)c1C 2218800328 JGCJCELYFQKECZ-CYBMUJFWSA-N 453.037 6.683 50 10 JKGE Cc1cc(Br)c([C@@H](Br)C(F)(F)C(F)F)c(C)c1Br 2220146182 FVHDBZLZYXSFDP-SECBINFHSA-N 456.897 6.165 50 10 JKGE Cc1ccc([C@H](Br)c2c(Br)cc(C)c(Br)c2C)s1 2220152080 SBJSZJYCTIOKCG-AWEZNQCLSA-N 453.037 6.683 50 10 JKGE COC[C@H](C)OC[C@@H](Cl)Cc1sc(Br)c(Br)c1Br 2222473428 SLRHTYWWLAQADH-BQBZGAKWSA-N 485.463 5.237 50 10 JKGE CC1(C)OCCC[C@@H]1[C@H](Br)c1cc(Br)c(Br)cc1F 2225618694 ZQOQXTCQBPQEEH-NOZJJQNGSA-N 458.991 5.992 50 10 JKGE C[C@@H](Cl)c1nc2cc(Br)c(Br)cc2n1[C@H]1C[C@@H](Br)C1 2225697710 SQMHWAXZYGBSPM-PRJMDXOYSA-N 471.418 5.960 50 10 JKGE Clc1cccc(C[C@@H](Br)c2c(Br)cc(Cl)c(Cl)c2Cl)c1 2232509354 CJVJFZDURGALHR-SECBINFHSA-N 477.838 7.741 50 10 JKGE FC1(F)[C@@H]2[C@@H]([C@H](Br)c3c(Br)cc(Cl)c(Cl)c3Cl)CC[C@H]21 2232513343 QJXFKLAIOCJLHD-TWPWXFPMSA-N 469.378 7.137 50 10 JKGE COc1cc(F)c([C@H](Br)c2ccc(C)c(I)c2)c(F)c1 2232832366 AJRAIFUHUJYKDX-OAHLLOKOSA-N 453.064 5.371 50 10 JKGE C[C@H](Cl)c1nc2cc(F)c(Br)cc2n1C[C@@H]1CC1(Br)Br 2233041655 UKARYEJVBQMKAZ-BQBZGAKWSA-N 489.408 5.744 50 10 JKGE COc1cc(Br)c([C@H](Br)c2cc(Br)c(C)s2)cc1OC 2234476580 YYELHWIUBKLNQS-AWEZNQCLSA-N 485.035 6.083 50 10 JKGE Cc1cc(C)cc([C@@H](Br)c2c(Br)cc(C)c(Br)c2C)c1 2235601591 AQVRGDLHYUBHDG-QGZVFWFLSA-N 461.035 6.930 50 10 JKGE Brc1cccc(CN2C[C@@H](Br)CC23CCCCC3)c1Br 2241043731 FDNUWMYRRXXILS-ZDUSSCGKSA-N 466.055 5.884 50 10 JKGE C[C@]1(c2cc(Br)c(Br)s2)CCC[C@H](CI)O1 2243277397 TWALHLCCDFEVFJ-RDDDGLTNSA-N 480.003 5.492 50 10 JKGE Fc1cc(Cl)c([C@H](Br)c2sc(Cl)cc2Br)cc1Br 2258112031 JRXVSKNFUCBKHE-JTQLQIEISA-N 497.836 7.203 50 10 JKGE COc1c([C@@H](Br)c2csnc2Br)cc(Br)c(C)c1C 2269166351 CUUACMNGDDAFMW-LLVKDONJSA-N 470.024 5.778 50 10 JKGE CCCCO[C@@H]1[C@@H](Br)C[C@@H]1Oc1cc(I)ccc1Cl 2272639392 PFDFWTDWPDYONX-LEWSCRJBSA-N 459.549 5.045 50 10 JKGE Cc1cc(C=C(C#N)C(=O)NCCc2c[nH]c3ccccc23)c(C)n1-c1ccccc1Br 2294172026 VBHWLBZYRUCFQH-UHFFFAOYSA-N 487.401 5.604 50 10 JKGE Cc1cccc(C)c1NS(=O)(=O)c1ccc(NC(=O)C(C#N)=Cc2cccc3ccccc23)cc1 2294511028 WWWPBYCRKQFDQI-UHFFFAOYSA-N 481.577 5.803 50 10 JKGE COc1cc(Cl)c([C@H](Br)c2scc(Br)c2Cl)c(OC)c1 2294907750 OKNPULDBNDRSTR-NSHDSACASA-N 461.002 6.319 50 10 JKGE Fc1cccc([C@@H](Br)c2cc(Br)ccc2OCc2ccccc2)c1 2299491851 GOXSVMSWPUNOOB-HXUWFJFHSA-N 450.145 6.652 50 10 JKGE CC(F)(F)C(C)(C)[C@H](Br)c1cc(Br)ccc1OCc1ccccc1 2299501918 RWHGLMSXNYDVGZ-QGZVFWFLSA-N 462.172 7.146 50 10 JKGE CC(C)[C@H](CBr)N(Cc1ccccc1)Cc1c(Br)cnn1C(C)C 2303059571 IKHNVWAWNZSJJT-SFHVURJKSA-N 457.254 5.648 50 10 JKGE Cc1ccc(S(=O)(=O)Oc2ccc(Cl)cc2C=C(C#N)c2ccc([N+](=O)[O-])cc2)cc1 2313541055 OBTQLSUUUZEGRN-UHFFFAOYSA-N 454.891 5.389 50 10 JKGE CCCN(CCC)c1ccc(C(=O)NN=C2C(=O)N(CC=Cc3ccccc3)c3ccccc32)cc1 2313646638 UDPRBWZORCBAKY-UHFFFAOYSA-N 480.612 5.507 50 10 JKGE CCOc1ccc(NC(=O)C(C#N)=Cc2cc(Br)ccc2OCc2ccccc2)cc1 2313676727 YBDRMMXFLUHYDB-UHFFFAOYSA-N 477.358 5.972 50 10 JKGE Fc1cc(Cl)c(Br)c(Cl)c1[C@@H](Br)c1cc(Br)cs1 2313751037 YDSBJGDRYQBZSA-JTQLQIEISA-N 497.836 7.203 50 10 JKGE Cc1ccc(Oc2nc3ccccn3c(=O)c2C=C(C#N)C(=O)Nc2ccc(C)c(C)c2)c(C)c1 2314531434 BACPTFHJDYJIPU-UHFFFAOYSA-N 464.525 5.266 50 10 JKGE C[C@]1([C@H](Br)c2c(Cl)cc(Br)c(F)c2Br)CCOC1 2315440425 SNXYSUZOMIIDKZ-NEPJUHHUSA-N 465.382 5.867 50 10 JKGE COc1cccc([C@H](Br)c2sc(Cl)cc2I)c1C 2316774685 LKDLJSODKMUZHP-LBPRGKRZSA-N 457.558 5.807 50 10 JKGE Cc1scc([C@@H](Br)c2cc(F)c(Br)cc2F)c1Br 2320481676 VBQPTNREQUCCPH-LBPRGKRZSA-N 460.963 6.344 50 10 JKGE COc1ccc(C(C#N)=Cc2ccc(OC(=O)[C@H](C)Oc3ccc(Cl)cc3Cl)c(OC)c2)cc1 2320506548 LZHMERRMZARPSP-INIZCTEOSA-N 498.362 6.448 50 10 JKGE Brc1cc([C@@H](Br)[C@H]2C[C@@H]3CCCCCC[C@@H]32)sc1Br 2329820967 CSICXFJVEWKVHB-RMIALFOJSA-N 471.096 7.316 50 10 JKGE N#CC(=C(O)c1ccc2c(c1)C(=O)N(Cc1ccco1)C2=O)c1nc(-c2cccc([N+](=O)[O-])c2)cs1 2331236522 BEEMKAOBGCERFO-UHFFFAOYSA-N 498.476 5.057 50 10 JKGE CC(C)c1csc(C(C#N)=C(O)c2ccc(N3COc4ccc5ccccc5c4C3)cc2)n1 2331328753 IIDJQGIVBQGVDL-UHFFFAOYSA-N 453.567 6.726 50 10 JKGE CCOC(=O)Oc1ccc(C(O)=C(C#N)c2nc(-c3cc(C)c(Cl)cc3OC)cs2)cc1 2331389179 AVSZNMNCCUFYMM-UHFFFAOYSA-N 470.934 6.266 50 10 JKGE Cc1ccc(C(C)(C)C)cc1-c1csc(C(C#N)=C(O)[C@@H]2CC(=O)N([C@@H](C)c3ccccc3)C2)n1 2331396321 LPROOTFOEZQQEM-PZJWPPBQSA-N 485.653 6.818 50 10 JKGE CCCOc1ccc(C=C(C#N)c2nc(-c3cc(OC)c(Cl)cc3OC)cs2)cc1OCC 2331471077 LBOUGXMMWKRTGE-UHFFFAOYSA-N 485.005 6.732 50 10 JKGE C[C@@H]1CC[C@](C)([C@H](Br)c2cc(Br)ccc2OCc2ccccc2)C1(C)C 2336050675 MFBSPRJBQNZRLL-FQQGMQMYSA-N 480.284 7.927 50 10 JKGE COc1ccc(C)c([C@H](Br)c2ccc(OCc3ccccc3)cc2Br)c1 2336076644 AXGKQCQTFBPLMD-JOCHJYFZSA-N 476.208 6.829 50 10 JKGE Cl[C@@H](c1cc2c(s1)CCSC2)c1ccc(OCc2ccccc2)cc1Br 2336081812 VEXPXQCQRPRQKN-OAQYLSRUSA-N 465.865 7.207 50 10 JKGE Fc1cc(F)c([C@@H](Br)c2ccc(OCc3ccccc3)cc2Br)cc1F 2336119782 AUYKGMOJUJUXPT-FQEVSTJZSA-N 486.125 6.930 50 10 JKGE Cc1cc(Br)c([C@H](Br)[C@H]2COCC2(C)C)c(C)c1Br 2336207430 UVASIHCQDOLFMZ-QMTHXVAHSA-N 455.028 5.937 50 10 JKGE Cn1cc([C@@H](Cl)c2c(Cl)cc(Br)c(F)c2Br)nc1Br 2337093493 FTOCLZCLOHGKFO-SECBINFHSA-N 495.799 5.828 50 10 JKGE Brc1ccc(Br)c([C@@H](Br)[C@@H]2C[C@H]3CCC[C@H]2CC3)c1 2338742464 WIDORPUHPKAMMK-NLZNIHBBSA-N 451.040 6.864 50 10 JKGE C[C@H]1[C@@H](Cl)C[C@H]2CC[C@H]1N2Cc1ccc(I)c(Br)c1 2349825362 CTEARMACMPRCKC-XPGAZNKBSA-N 454.577 5.034 50 10 JKGE Cc1cc(CCl)cc(OCc2ccc(I)c(Br)c2)c1 2350076438 FTIKVSYYRXFBLJ-UHFFFAOYSA-N 451.529 5.680 50 10 JKGE Brc1cc(OCc2ccccc2)ccc1[C@@H](Br)c1ccc2c(c1)COCC2 2361188901 HSPJYUJJFABYHL-QHCPKHFHSA-N 488.219 6.585 50 10 JKGE Cc1ccc(F)c([C@H](Br)c2c(Cl)cc(Br)c(F)c2Br)c1 2362229620 KZRKBCXXAUABRB-LBPRGKRZSA-N 489.379 6.936 50 10 JKGE COc1c(Br)cc(C)c([C@@H](Br)[C@H]2CCC3(CC3)C2)c1Br 2365190010 AHKYNNGEXNUGFD-GWCFXTLKSA-N 467.039 6.545 50 10 JKGE CC1(C)CC[C@H](CC(CBr)(CBr)c2ccc(Br)cc2)C1 2367350019 QMQMEOXPAKGDEI-ZDUSSCGKSA-N 467.083 6.693 50 10 JKGE COC(C)(C)C1([C@H](Br)c2c(Br)cc(Cl)c(Cl)c2Cl)CC1 2369557370 IKYUIZNQNZHIEG-GFCCVEGCSA-N 465.440 7.051 50 10 JKGE C[C@@H](c1cccs1)N(Cc1ccccc1)c1nc(C(F)(F)F)ccc1CBr 2369845067 NSMCZRKKTRLAQG-AWEZNQCLSA-N 455.343 6.825 50 10 JKGE Cc1ccc(CCl)c(OCc2cccc(Br)c2Br)c1Br 2381140180 GYWAQWUZDIJICW-UHFFFAOYSA-N 483.425 6.600 50 10 JKGE Cc1ccc(N2C(=O)[C@@H](Cc3ccc(F)cc3)S/C2=C(\C#N)C(=O)Nc2ccccc2)cc1 16739820 FHMGQXQEOHPENV-QPQMVVSWSA-N 457.530 5.199 50 10 JKGE C/C(=N\NC(=O)c1ccc2ccccc2c1O)c1cccc(NC(=O)c2csc3ccccc23)c1 20159105 JOFWJOSYTBDSRH-OCSSWDANSA-N 479.561 6.166 50 10 JKGE COC(=O)c1c(NC(=O)/C(C#N)=C\c2ccc(-c3cccc(Cl)c3Cl)o2)sc(C)c1C 33339725 ODXYJZPHNAQDDE-LCYFTJDESA-N 475.353 6.264 50 10 JKGE O=C(CSc1nc2ccccc2s1)N/N=C/c1ccc(-c2c(Cl)cccc2Cl)o1 33568474 GBCOUDHOYBSHHL-AUEPDCJTSA-N 462.383 6.106 50 10 JKGE O=C(N/N=C\c1ccc(OCc2ccccc2Cl)cc1)C(=O)Nc1cccc(C(F)(F)F)c1 35059726 CSFHAMSSFSAZQQ-QDTIIGTASA-N 475.854 5.027 50 10 JKGE CCOC(=O)c1ccc(-c2ccc(/C=C3/C(=O)N(Cc4ccc(C)cc4)C(=O)C(C#N)=C3C)o2)cc1 38608406 WEXMCIYUYYAZPC-BUVRLJJBSA-N 480.520 5.224 50 10 JKGE COc1ccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)[C@H](C)Oc4ccc(C(C)C)cc4)ccc32)cc1 38650399 NDMWHQKZVPVVIC-XRHLQHRESA-N 484.552 5.410 50 10 JKGE CCCCOc1ccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4ccccc4OCCC)ccc32)cc1 38650875 MUEFKUMPMMSLRW-MUUNZHRXSA-N 498.579 6.092 50 10 JKGE COc1ccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4cccc5ccccc45)ccc32)cc1OC 38658555 VQDTUGXAPDNZIQ-HHHXNRCGSA-N 478.504 5.294 50 10 JKGE N#CC1=C(N)Oc2cc(OC(=O)Cc3ccc(Cl)cc3)ccc2[C@H]1c1c(F)cccc1Cl 38680700 QLRUIFVZBQWNEN-JOCHJYFZSA-N 469.299 5.499 50 10 JKGE Cc1ccc([N+](=O)[O-])cc1NC(=O)Cn1cc(/C=C(/C#N)c2nc3ccccc3[nH]2)c2ccccc21 50568403 MPKLUBCCGBUBQR-PDGQHHTCSA-N 476.496 5.437 50 10 JKGE COc1ccc(CNC(=O)/C(C#N)=C/c2ccc(OCc3ccc(Cl)cc3Cl)c(OC)c2)cc1 59291923 BNCRPPMYQKJJPO-RGVLZGJSSA-N 497.378 5.813 50 10 JKGE COC(=O)c1cc(C(C)C)sc1NC(=O)/C(C#N)=C\c1ccc(-c2cccc(Cl)c2)o1 96438546 CTOXOIKAGFABMP-GDNBJRDFSA-N 454.935 6.117 50 10 JKGE Cc1ccc(C)c(CS/C(Nc2ccc(Cl)cc2)=C(/C#N)S(=O)(=O)c2ccccc2)c1 96482134 YVIDTHIMMKBYIX-VHXPQNKSSA-N 469.031 6.469 50 10 JKGE C[C@H](Cl)c1nc2cc(I)ccc2n1Cc1ccc(Br)s1 97355195 PEESBGQNRPOSBM-QMMMGPOBSA-N 481.584 5.813 50 10 JKGE CCCCOC(=O)c1cccc(NC(=O)[C@H](Br)[C@H](Br)c2ccccc2)c1 101643394 KXBBTKZCHSLLKG-QZTJIDSGSA-N 483.200 5.482 50 10 JKGE COC(=O)c1cc(/C=C(/C#N)c2nc(-c3cccc4ccccc34)cs2)cc(C(=O)OC)c1 102938882 WBRHGXVVMOPLTG-NDENLUEZSA-N 454.507 5.601 50 10 JKGE CCCCN(CC(=O)N1c2ccccc2-n2cccc2[C@@H]1c1ccc(F)cc1)C(=O)C(Cl)Cl 103064374 MUTIOROWZNQYQD-QHCPKHFHSA-N 488.390 5.485 50 10 JKGE CCCC(=O)[C@@H](Br)Cc1c(Br)cc(Br)cc1Br 110163192 IDSWCTNNKQZXOW-NSHDSACASA-N 491.843 5.649 50 10 JKGE Cc1cc([C@@H](Br)c2ccc(Br)c3ccccc23)sc1Br 123438804 PWKIXOKEHUDNBV-HNNXBMFYSA-N 475.043 7.219 50 10 JKGE COc1cc(C)c(Br)cc1[C@H](Br)c1c(F)cc(Br)cc1F 127664267 NCFAIFHKYDXIKS-HNNXBMFYSA-N 484.960 6.291 50 10 JKGE Cc1cc(Br)c([C@H](Br)C[C@@H]2C[C@@H]3CC[C@@H]2C3)cc1Br 128765306 IBVYNMLQTXXBNC-LSSIXWDNSA-N 451.040 6.782 50 10 JKGE Cc1cc(Br)c([C@H](Br)c2cccc(Cl)c2F)cc1Br 128807457 MTVQWDJZRXRQEA-CYBMUJFWSA-N 471.389 6.797 50 10 JKGE Clc1cc([C@H](Br)c2ccc(Br)c3ccccc23)ccc1Br 129201085 WARDPSBDNDLDEO-KRWDZBQOSA-N 489.432 7.503 50 10 JKGE CC[C@H](NC(=O)/C(C#N)=C\Nc1cc(C(F)(F)F)cc(C(F)(F)F)c1)c1ccc2c(c1)CCCC2 217192048 JUSBVACFPIGJSE-JIDPPIHHSA-N 495.467 6.690 50 10 JKGE COc1ccc([C@H](Br)c2cccc(Br)c2Cl)c(Br)c1 228452933 GBXXAXMHBGYRON-ZDUSSCGKSA-N 469.398 6.358 50 10 JKGE COc1ccc(C)cc1[C@@H](Br)c1ccc(I)c(Cl)c1 232343641 WXQWODKPMUPWNK-HNNXBMFYSA-N 451.529 5.746 50 10 JKGE COc1ccc([C@H](Br)c2cc(Cl)ccc2I)cc1OC 234994511 MGTLAQDZSHNGDB-HNNXBMFYSA-N 467.528 5.446 50 10 JKGE CC(=NNC(=O)c1ccc(Cn2nc(C)c(Cl)c2C)o1)c1ccc(NC(=O)C2CCCC2)cc1 252611190 IHGFYTXEJMSEJC-UHFFFAOYSA-N 481.984 5.077 50 10 JKGE Cc1cc(C=NNC(=O)C23C[C@H]4C[C@@H](CC(C)(C4)C2)C3)c(C)n1-c1cc(Cl)ccc1Cl 254826689 ISJLUIGGWAOSIE-RIZNVZOMSA-N 458.433 6.458 50 10 JKGE Brc1ccc([C@H](Br)c2cc(I)cc3c2OCC3)o1 302511878 NEYMFYNVKVLAOW-GFCCVEGCSA-N 483.925 5.066 50 10 JKGE C[C@@H](Cl)c1nc2cccnc2n1-c1cc(Br)ccc1I 312227951 DRDUZNVJUUAVPD-MRVPVSSYSA-N 462.516 5.087 50 10 JKGE CC(C)c1ccc([C@H]2CN(C(=O)OCc3ccccc3)C[C@H]2CI)cc1 382697134 LLKRUPGBWJDYJD-NHCUHLMSSA-N 463.359 5.597 50 10 JKGE Cc1ccc([C@@H]2CN(C(=O)OC(C)(C)C)C[C@H]2CI)cc1Br 394699984 XPHBCUKEXTYYDB-KGLIPLIRSA-N 480.184 5.143 50 10 JKGE CC(=O)O[C@@H](CO)Cc1ccc(O[Si](C)(C)C(C)(C)C)c(O[Si](C)(C)C(C)(C)C)c1 504239093 UKAFAWVNQGOWOG-LJQANCHMSA-N 454.756 5.921 50 10 JKGE CC(C)(C)[Si](C)(C)OCCc1ccc([C@H]2CCCN(S(=O)(=O)c3ccccc3)CC2)cc1 616601165 OZCWTTBJWRVJAW-QHCPKHFHSA-N 473.755 6.209 50 10 JKGE CC(C)(C)[Si](C)(C)OCc1cccc([C@H]2Cc3ccccc3N(S(=O)(=O)c3ccccc3)C2)c1 616691322 YPNYHYNOWHTCIP-VWLOTQADSA-N 493.745 6.744 50 10 JKGE CC1(C)COc2c([C@H](Br)c3ccoc3Br)cc(Br)cc21 688193834 LYYVXOHCBLIHNF-GFCCVEGCSA-N 464.979 5.959 50 10 JKGE Fc1ccc([C@H](Cl)c2cc(Br)ccc2Br)c(F)c1Br 691541723 ONPKNCIOKZZVFD-LBPRGKRZSA-N 475.352 6.581 50 10 JKGE CCC(CC)N(CCBr)C(=O)c1scc(Br)c1Br 705407960 DNMKRBOLVNXYCV-UHFFFAOYSA-N 462.045 5.299 50 10 JKGE COc1cc(C=NNC(=O)c2ccc(-n3c(C)ccc3-c3ccccc3)cc2)ccc1OC(C)C 1083944833 CRCQUGLRBPSBKJ-UHFFFAOYSA-N 467.569 6.012 50 10 JKGE CC(=NNC(=O)c1ccc(CN(c2ccc(C)c(C)c2)S(C)(=O)=O)cc1)c1ccc(Cl)cc1 1084104296 KVISQFNZYPQTSQ-UHFFFAOYSA-N 484.021 5.077 50 10 JKGE Cc1cc(C=NNC(=O)CSCc2cccc(Br)c2)c(C)n1-c1ccccc1Cl 1084345325 ZIQCPZJYIDTGCG-UHFFFAOYSA-N 490.854 5.894 50 10 JKGE C[C@H](NC(=O)COc1ccc(C=NNC(=O)C(c2ccccc2)c2ccccc2)cc1)c1ccccc1 1084497807 JIVTZQYSTSJUHB-QHCPKHFHSA-N 491.591 5.225 50 10 JKGE COc1cc(/C=C(\C#N)c2ccc([N+](=O)[O-])cc2)cc(Cl)c1OCc1ccccc1Cl 1084539640 ZZONUXWIWGYELX-VCHYOVAHSA-N 455.297 6.553 50 10 JKGE CN(C)c1ccc([C@@H]2C(C#N)=C(N)Oc3c2c(-c2ccccc2)nn3Cc2ccccc2Cl)cc1 1865682977 CEUFCLZTOVZRJC-XMMPIXPASA-N 481.987 5.536 50 10 JKGE CCCc1nn(CC(C)C)c2c1[C@@H](c1ccc(OCCc3ccccc3)c(OC)c1)C(C#N)=C(N)O2 1865687891 CQWGGUVCXRRGDT-SANMLTNESA-N 486.616 5.340 50 10 JKGE CCc1nn(Cc2ccccc2)c2c1[C@H](c1ccc(OCc3ccc(Cl)cc3)cc1)C(C#N)=C(N)O2 1865694766 AZMSJXNSNDUWSX-AREMUKBSSA-N 496.998 5.944 50 10 JKGE Cc1nc(-c2ccc(Cl)cc2Cl)ccc1C(=O)NNC(=O)c1cc(Cl)cc(Cl)c1 1865759583 HXQNBJWNFJSOIS-UHFFFAOYSA-N 469.155 5.745 50 10 JKGE CCCC[C@H](NC(=O)[C@@H](C)c1ccc(Br)cc1)C(=O)Nc1ccc(SC#N)cc1 1866946570 QLWXHTCQIVZVMZ-YWZLYKJASA-N 474.424 5.439 50 10 JKGE CC(C)(C)c1nc(Nc2ccc(SC#N)cc2)cc(N2CCO[C@@H](c3ccc(Cl)cc3)C2)n1 1868342287 QCSCPCWRYCHWCS-OAQYLSRUSA-N 480.037 6.322 50 10 JKGE CCn1c(/C(C#N)=C/c2ccccc2OCc2ccc(Br)cc2)nc2ccccc21 1872730677 JITYXEGSCMPEAP-HMMYKYKNSA-N 458.359 6.462 50 10 JKGE COc1cc(C)c(-c2csc(/C(C#N)=C(\O)[C@@H](C)Oc3ccc(Cl)cc3)n2)cc1C(C)C 1872753591 FHAFZMCOKAPAOB-VRYNMQIDSA-N 469.006 7.164 50 10 JKGE COc1ccc(/C(O)=C(\C#N)c2nc(-c3cc(C(C)C)c(OC)cc3C)cs2)cc1OC 1872753687 IXPCAMSZHNQLQS-CLCOLTQESA-N 450.560 6.218 50 10 JKGE N#C/C(=C(/O)[C@@H]1CC(=O)N(Cc2ccccc2)C1)c1nc(-c2ccc(Oc3ccccc3)cc2)cs1 1872753688 IYGBLGBDNYFTLU-AOKXBXCXSA-N 493.588 6.444 50 10 JKGE COc1ccc(-c2csc(/C(C#N)=C(\O)[C@@H]3CC(=O)N([C@@H](C)c4ccccc4)C3)n2)c(C)c1C 1872753855 QJMNXPIVZSMEEK-XUSUJHAKSA-N 473.598 5.838 50 10 JKGE COc1c(Cl)cc(-c2csc(/C(C#N)=C(\O)[C@H](C)Oc3ccc(C(C)C)cc3)n2)cc1Cl 1872756150 SHWHUOQPBYBNFR-RJHYDAJSSA-N 489.424 7.509 50 10 JKGE COc1ccc(Cl)cc1N1C[C@@H](/C(O)=C(\C#N)c2nc(-c3c(C)cc(C)cc3C)cs2)CC1=O 1872757066 PGKPULSISPHIDJ-SKDAWRFRSA-N 494.016 6.243 50 10 JKGE Cc1csc(/C(C#N)=C(\O)CCCCCCCCCCN2C(=O)c3ccccc3C2=O)n1 1872757360 BQAFWOHCYJONBR-DQRAZIAOSA-N 451.592 6.051 50 10 JKGE COc1ccc(-c2csc(/C(C#N)=C/c3cc(Br)c(O)c(OC)c3)n2)cc1F 1872792193 KIOUDAVHCYTSFW-WLRTZDKTSA-N 461.312 5.499 50 10 JKGE COc1c(Cl)cc(Cl)cc1-c1csc(/C(C#N)=C/c2cccc(Br)c2)n1 1872792731 ORBSCDYGKJWPHE-LFYBBSHMSA-N 466.187 6.952 50 10 JKGE Cc1cc(Br)c([C@@H](Br)[C@H]2C[C@@H](OC(C)(C)C)C2)cc1Br 1913999432 RKOUIFLHPCUGFN-RWSFTLGLSA-N 469.055 6.550 50 10 JKGE CC(C)[C@@H](CBr)N(Cc1ccccc1)Cc1ccc(I)cc1 1915274765 UMBGOXRKYHBAKS-LJQANCHMSA-N 472.208 5.713 50 10 JKGE CC(C)[C@H](CBr)N(Cc1ccccc1)Cc1cccc(Cl)c1Br 1915294994 FMEBHTHCWPPBLK-SFHVURJKSA-N 459.653 6.524 50 10 JKGE Cc1cc([C@@H](Br)c2cc(I)cc3c2OCC3)oc1Br 1917604699 BMYHNMKZNGHUQB-LBPRGKRZSA-N 497.952 5.374 50 10 JKGE Cc1c(Br)sc([C@@H](Br)C[C@@H]2CCCOCC2)c1Br 1922930005 NZFCSAZJHZTPHM-ZJUUUORDSA-N 461.057 6.224 50 10 JKGE Clc1c(Br)sc(Br)c1[C@H](Br)[C@@H]1C[C@H]2CCC[C@H]21 1923068143 NNTLAFRCGWUXGE-JXOAFFINSA-N 463.460 6.799 50 10 JKGE Cl[C@H](c1c(Br)sc(Br)c1Br)[C@H]1CC12CCOCC2 1924607513 VZBBEGXLRCMRKB-MUWHJKNJSA-N 479.459 6.132 50 10 JKGE Cl[C@H](c1c(Br)sc(Br)c1Br)C1CC2(CCC2)C1 1924608053 CQIQBMRVZHSOMK-VIFPVBQESA-N 463.460 6.896 50 10 JKGE Cl[C@@H](c1c(Br)sc(Br)c1Br)C12CCC(CC1)CC2 1924614501 YVCVQVPUMUSAMG-JRIBOLAGSA-N 477.487 7.286 50 10 JKGE Clc1cc([C@@H](Cl)c2c(Cl)sc(Cl)c2Cl)ccc1I 1925590641 YTMGFBMXLGMUOT-MRVPVSSYSA-N 472.389 7.295 50 10 JKGE Clc1sc(Br)c(Cl)c1[C@H](Cl)c1ccccc1OCc1ccccc1 1925602025 YRCNUZYPWNCZGU-OAHLLOKOSA-N 462.623 7.725 50 10 JKGE Brc1ccc([C@@H](Br)Cc2cccs2)c(I)c1 1995284847 SWAZIIBBPJSWSS-NSHDSACASA-N 471.983 5.794 50 10 JKGE CC(C)[C@H](CBr)N(Cc1ccccc1)C(=O)c1ncc(Br)cc1Cl 2007992401 KKICQLOQMIPIEW-INIZCTEOSA-N 474.624 5.559 50 10 JKGE CC1(C)CC2(CC([C@H](Br)c3sc(Br)cc3Br)C2)C1 2039423835 HCFQZIDLTMUSBD-NSHDSACASA-N 457.069 6.926 50 10 JKGE Cc1sc([C@@H](Br)c2nn(C)c(Br)c2C)c(C)c1Br 2049255154 GABYZACERVJQAJ-VIFPVBQESA-N 457.029 5.416 50 10 JKGE Clc1cccc(Br)c1C[C@@H](Br)c1ccc(Br)cc1 2050566991 JWCWDIPWZRKIFF-CYBMUJFWSA-N 453.399 6.544 50 10 JKGE FC(F)(F)c1c(Br)c(CBr)nn1Cc1cccc(OC2CC2)c1 2079228970 CBZOCQBAYRKPDG-UHFFFAOYSA-N 454.084 5.149 50 10 JKGE Cc1cc([C@@H](Br)c2c(C)c(Br)cc(C)c2Br)cs1 2081081189 DMLYECIIJFBSMA-CQSZACIVSA-N 453.037 6.683 50 10 JKGE Cc1nsc(Br)c1[C@@H](Cl)c1ccc(Br)c(C)c1Br 2083310637 BKCBBIWYBNSPAL-NSHDSACASA-N 474.443 6.376 50 10 JKGE Brc1cccc([C@H](Br)c2cc3sccc3s2)c1Br 2084765000 PLAVHBZOCDHGID-ZDUSSCGKSA-N 467.045 6.972 50 10 JKGE FC(F)(F)c1csc([C@H](Br)c2scc(Cl)c2Cl)c1Br 2096220580 HVBZVXOXAMLWMG-LURJTMIESA-N 474.976 7.382 50 10 JKGE CC[C@@H](Br)[C@@H]1CCCCN1C(=O)c1cc(Br)c(Br)s1 2114192696 JZLHHJKTXKOCFW-SCZZXKLOSA-N 474.056 5.441 50 10 JKGE Fc1cc(Br)cc(N2[C@H]3CCC[C@H]2CN(Cc2ccccc2)C3)c1CBr 2125906652 RQUCSWUPGYBOBD-ROUUACIJSA-N 482.235 5.726 50 10 JKGE Clc1ccc(C[C@H](CBr)Cc2ccc(Br)cc2)c(Br)c1 2144776666 MGIBUNPAHDMHJN-GFCCVEGCSA-N 481.453 6.661 50 10 JKGE Cl[C@@H](c1cc(Br)c2c(c1)CCO2)c1cc(Br)ccc1Br 2146623317 VZUPNNDFMZAOKP-AWEZNQCLSA-N 481.409 6.237 50 10 JKGE O=C(N[C@@H]1CCCC[C@@H]1CCBr)c1ccc(Br)cc1Br 2146720033 QUJBHRSOVSDLBD-QMTHXVAHSA-N 468.027 5.285 50 10 JKGE Clc1cc(Br)c(OCc2c(Cl)cncc2Cl)c(CBr)c1 2149795310 YAHXKHOSCLIYMJ-UHFFFAOYSA-N 460.380 6.278 50 10 JKGE ClC[C@H](Cc1ccccc1Br)Cc1c(Br)cccc1Br 2150493980 FGDGZJGCMSZWFK-LLVKDONJSA-N 481.453 6.614 50 10 JKGE COCC1(COc2c(Br)cc(Br)cc2CBr)CCCC1 2150603320 GYWJXOYGWKHMEZ-UHFFFAOYSA-N 471.027 5.692 50 10 JKGE FC1(F)C[C@]12CCC[C@H]([C@H](Br)c1cc(Br)ccc1Br)C2 2156117873 VBOODUOLFCAKGH-QCZZGDTMSA-N 472.993 6.863 50 10 JKGE Cc1sc(Br)c([C@H](Cl)c2scc(C(F)(F)F)c2Br)c1C 2157251359 KPLZZZNXVCMJBY-VIFPVBQESA-N 468.585 7.298 50 10 JKGE Cc1cc(Br)c([C@H](Br)C[C@H](C(F)F)C(C)(C)C)cc1Br 2167667257 CNWZBBLIWIOKIX-ZWNOBZJWSA-N 477.025 7.274 50 10 JKGE CC(C)n1cc(S(=O)(=O)N(Cc2ccccc2)CC2CCCC2)cc1CBr 2179858072 JMSGBZSFJUIRLC-UHFFFAOYSA-N 453.446 5.345 50 10 JKGE C[C@](CI)(O[C@@H]1CCCCC1(F)F)c1ccccc1Br 2197046873 OJTYXOJTYGMAMM-ZIAGYGMSSA-N 459.112 5.694 50 10 JKGE Cc1cc(Cl)cc([C@@H](Br)c2c(C)c(Br)cc(C)c2Br)c1 2201068684 HNRDFABNPRULMO-MRXNPFEDSA-N 481.453 7.275 50 10 JKGE Cc1ccc([C@@H](Br)c2c(Br)cc(F)c(Cl)c2F)cc1Br 2201619826 UYZVXAZMXOOBPO-GFCCVEGCSA-N 489.379 6.936 50 10 JKGE Cc1c(Br)ccc([C@@H](Br)c2csc3ccccc23)c1Br 2203687256 QVTVQHZSDKDPCP-MRXNPFEDSA-N 475.043 7.219 50 10 JKGE CCc1ccc([C@H](Cl)c2ccc(Br)cc2I)cc1CC 2207271432 ICFDJTOFMUDKLK-KRWDZBQOSA-N 463.584 6.507 50 10 JKGE CC[C@H](C[C@H](Br)c1cc(Br)c(Br)cc1F)C(C)(C)C 2225615916 AZMMKCVXDGGVOT-KOLCDFICSA-N 459.035 7.249 50 10 JKGE CC[C@H](C[C@@H](Br)c1c(Br)cc(Cl)c(Cl)c1Cl)C(C)(C)C 2232518391 BVAMVMVIUQWBTP-RKDXNWHRSA-N 465.484 8.308 50 10 JKGE COc1c(C(C)C)cc(Br)cc1[C@H](Cl)c1cc(I)sn1 2233153029 KXXVFKUSWPTBIY-ZDUSSCGKSA-N 486.600 5.970 50 10 JKGE Cc1cc(Br)c([C@H](Br)[C@H]2CC23CCCCC3)c(C)c1Br 2235603468 BEWIRMNEBAXCLE-MLGOLLRUSA-N 465.067 7.235 50 10 JKGE Cc1cc(Br)c([C@H](Br)[C@@H]2C[C@]23CCCOC3)c(C)c1Br 2235612521 PIQWNEPTGPCATQ-XZJROXQQSA-N 467.039 6.081 50 10 JKGE Fc1cc(Br)c(Cl)cc1[C@@H](Cl)Cc1ccc(Br)cc1Cl 2237451014 NSMHOXXIDDLLNU-LBPRGKRZSA-N 461.383 7.180 50 10 JKGE Cc1ccc([C@@H](Br)c2scc(Br)c2Cl)c(C)c1Br 2253599478 LFTPYRHYQSEPJM-LLVKDONJSA-N 473.455 7.028 50 10 JKGE Fc1cc(Cl)c([C@@H](Cl)c2sc(Cl)cc2Br)cc1Br 2258105331 ONDXBULEQSSPCS-SNVBAGLBSA-N 453.385 7.047 50 10 JKGE COc1cc(Cl)c([C@H](Br)c2cocc2Br)cc1Br 2258118438 QPGBSBPUKVOPBP-LBPRGKRZSA-N 459.359 5.951 50 10 JKGE Brc1cocc1[C@H](Br)c1cc(I)cc2c1OCC2 2258141621 AIABAINVGJAWTO-GFCCVEGCSA-N 483.925 5.066 50 10 JKGE Cc1cc(Cl)c(Cl)cc1[C@H](Br)c1cc(Br)cc(Br)c1 2264359277 ICHHEYMAPIZONA-CQSZACIVSA-N 487.844 7.311 50 10 JKGE COc1c(Br)cc(C)cc1[C@@H](Br)c1scc(Br)c1Cl 2264610698 YLTUMDBHSUNXRY-SNVBAGLBSA-N 489.454 6.728 50 10 JKGE Cc1sc([C@H](Br)c2cc(Br)cc(C(C)C)c2)cc1Br 2265957469 PBSDIZFWMBRTOU-OAHLLOKOSA-N 467.064 7.189 50 10 JKGE CCc1cc([C@@H](Br)c2ccc(Br)cc2OC)sc1Br 2267766969 WKJMUDSDDRXNKG-ZDUSSCGKSA-N 469.036 6.328 50 10 JKGE COCc1nc([C@H](Br)Cc2cc(Br)cc(Br)c2)cs1 2277957393 UNHWTOIPVIPEOQ-LLVKDONJSA-N 470.024 5.493 50 10 JKGE CC(C)c1ncc2nc(CCl)n(CC3(N(Cc4ccccc4)Cc4ccccc4)COC3)c2n1 2281269137 WQABIXHRIXWHRT-UHFFFAOYSA-N 476.024 5.160 50 10 JKGE COc1ccc([C@@H](Br)c2cc(Cl)c(F)cc2F)cc1I 2285006223 HUNHMEOWBKYCND-CQSZACIVSA-N 473.482 5.716 50 10 JKGE CCOC(=O)C(C#N)=C1S[C@H](Cc2cc(Cl)ccc2Cl)C(=O)N1c1ccc(C)cc1 2293039075 ABNJWGPLAQUSRZ-LJQANCHMSA-N 461.370 5.291 50 10 JKGE N#CC(=Cc1cc(Br)c(Sc2ccc(Cl)cc2)o1)c1nc2ccccc2[nH]1 2294638493 VANQQWDOSPWJAP-UHFFFAOYSA-N 456.752 6.787 50 10 JKGE COc1ccc(F)cc1[C@@H](Br)Cc1cc(Br)cc(Br)c1 2295264936 LJZBMVKSCXLTKR-AWEZNQCLSA-N 466.970 6.038 50 10 JKGE COC(=O)c1c(NC(=O)C(C#N)=Cc2ccc(-c3ccc(Cl)cc3Cl)o2)sc(C)c1C 2296833245 PKQVYGFDGYHPFT-UHFFFAOYSA-N 475.353 6.264 50 10 JKGE CC1(C)CC(C)([C@H](Br)c2cc(Br)ccc2OCc2ccccc2)C1 2299531817 ZPLFEHPDBHOHSG-LJQANCHMSA-N 452.230 7.290 50 10 JKGE Fc1c(Br)cc(Cl)c([C@@H](Br)C2CC(F)C2)c1Br 2300180390 DYUKVTKOHKGZHP-UDSLYJHRSA-N 453.346 6.188 50 10 JKGE N#CC(=Cc1ccc(-c2cc(Cl)ccc2Cl)o1)C(=O)Nc1sc2c(c1C#N)CCCC2 2314486633 AGIGUSWNQNRQLX-UHFFFAOYSA-N 468.365 6.611 50 10 JKGE Cc1sc([C@H](Br)c2c(Br)nc(C)n2C)c(Br)c1C 2315632987 HLUXBJIXYIESHN-SECBINFHSA-N 457.029 5.416 50 10 JKGE Cc1cc([C@@H](Br)c2c(C)cc(Br)c(F)c2Br)cs1 2317400393 TXCNPBXERIEEMY-LLVKDONJSA-N 457.000 6.513 50 10 JKGE CCCCOC[C@H](Br)CCc1ccc(I)c(Br)c1 2325221073 DLUOXMRKRIFZNE-GFCCVEGCSA-N 490.017 5.567 50 10 JKGE CCCCOC(=O)c1ccccc1NC(=O)C(C#N)=CNc1ccc(Oc2ccccc2)cc1 2325306921 NWWXFBUHOJHGFY-UHFFFAOYSA-N 455.514 5.894 50 10 JKGE COc1cc(C=C(C#N)c2nc3ccc(C)cc3[nH]2)ccc1OC(=O)c1ccc(Cl)cc1Cl 2331018343 NPYHGAABOXHNGG-UHFFFAOYSA-N 478.335 6.470 50 10 JKGE COc1cccc(C=C(C#N)c2cc3c(cc2[N+](=O)[O-])OCCO3)c1OCc1cccc(Cl)c1 2331051463 XIOMPTJKUXIRPO-UHFFFAOYSA-N 478.888 5.671 50 10 JKGE COc1cc(C=C(C#N)c2cccs2)ccc1OCc1c(Cl)ccc(Cl)c1Cl 2331069372 KDNHTZUMHFVANC-UHFFFAOYSA-N 450.774 7.360 50 10 JKGE N#CC(=C(O)Cc1ccc(OCc2ccccc2)cc1)c1nc(-c2ccc(F)cc2F)cs1 2331286907 XLVPURSUZMZYBR-UHFFFAOYSA-N 460.505 6.703 50 10 JKGE CCCOc1ccc(-c2csc(C(C#N)=C(O)[C@H]3CC(=O)N([C@@H](C)c4ccccc4)C3)n2)cc1 2331318413 IWTQISBZRQEETD-RXVVDRJESA-N 473.598 6.001 50 10 JKGE CC[C@H](C)[C@H](C(O)=C(C#N)c1nc(-c2ccc(OC)c(F)c2)cs1)N1C(=O)c2ccccc2C1=O 2331337736 WGLNAOGSFWGGIC-RCDICMHDSA-N 491.544 5.461 50 10 JKGE COc1c(C)cc(Cl)cc1-c1csc(C(C#N)=C(O)CCCOc2ccccc2C)n1 2331392378 XMDUFBWWIWGGHZ-UHFFFAOYSA-N 454.979 6.741 50 10 JKGE COc1ccc(C=C(C(O)=C(C#N)c2nc(-c3ccc(Cl)s3)cs2)c2ccccc2)cc1 2331402117 QNDRSSBDSYGTKE-UHFFFAOYSA-N 477.010 7.567 50 10 JKGE COc1cc(Br)ccc1[C@@H](Cl)c1ccc(OCc2ccccc2)cc1Br 2336052153 YKQVMGWZSYLZAR-NRFANRHFSA-N 496.626 7.127 50 10 JKGE BrCc1c(Br)cccc1N1CCc2scc(Br)c2C1 2336450642 CYIYYQVQTCTSCT-UHFFFAOYSA-N 466.036 5.731 50 10 JKGE Brc1cc(Br)cc(CO[C@@H]2CCCCCC[C@@H]2Br)c1 2337099142 UURYYGQNEAYORO-LSDHHAIUSA-N 455.028 6.215 50 10 JKGE CCc1ccc([C@@H](Br)c2c(Cl)cc(Br)c(F)c2Br)o1 2337115317 ZNWJSPFJQFCJQJ-LLVKDONJSA-N 475.377 6.644 50 10 JKGE COc1ccc(C[C@@H](Cl)c2sc(Br)cc2Br)c(Br)c1 2338890407 USDYTMUBWGCRDN-LLVKDONJSA-N 489.454 6.567 50 10 JKGE Clc1ccc([C@@H](Br)Cc2c(Cl)cccc2Cl)c(I)c1 2340058552 RPZTUBQNWJVSTO-NSHDSACASA-N 490.393 6.930 50 10 JKGE CN(Cc1c(Br)cccc1Br)C[C@H](CBr)C1CCC1 2340607602 VSDQXHRJGAJYKH-LBPRGKRZSA-N 454.044 5.455 50 10 JKGE Cl[C@@H]1CC[C@H]2[C@H](CCN2Cc2ccc(I)c(Br)c2)C1 2349852880 LUJYJDPPWPCIPC-JMSVASOKSA-N 454.577 5.036 50 10 JKGE Clc1ccc([C@@H](Br)CCc2cc(I)ccc2Cl)cc1 2352416382 UJMRBIGXDMSSMU-AWEZNQCLSA-N 469.975 6.667 50 10 JKGE Fc1c(Br)cc(Cl)c([C@@H](Cl)c2cc3c(s2)CCC3)c1Br 2362238286 IJSQVQNSIXHODC-ZDUSSCGKSA-N 459.005 6.883 50 10 JKGE COc1c(Br)cc(C)c([C@H](Cl)c2c(Br)ncn2C)c1Br 2365185278 IPHUAJJXJGEXEN-JTQLQIEISA-N 487.417 5.353 50 10 JKGE CC(C)[C@@H](Br)C(C)(C)CNC(=O)c1cccc(Br)c1Br 2365863380 MMBBHJLSWSTHGY-CYBMUJFWSA-N 470.043 5.387 50 10 JKGE FC(F)(F)[C@@H]1[C@H](Br)CCCN1Cc1c(Br)cccc1Br 2370291561 IXEABCBZQAYDJD-NEPJUHHUSA-N 479.960 5.502 50 10 JKGE CCc1cc(Br)c(OC)c([C@H](Br)c2ccc(Br)cc2)c1 2381250933 AXOCWDUGFDTGIS-OAHLLOKOSA-N 463.007 6.267 50 10 JKGE Cc1ccc(C(C)C)c(OCC(=O)N/N=C/c2cccc(Oc3ccc([N+](=O)[O-])cc3[N+](=O)[O-])c2)c1 3088707 ZSUJDINWRSDOKZ-VULFUBBASA-N 492.488 5.256 50 10 JKGE CC(C)(C)c1ccc(/C=N/NC(=O)c2ccc(OCc3ccc(Cl)c(Cl)c3)cc2)cc1 33923729 CVXKSLXPOGNBQU-RWPZCVJISA-N 455.385 6.634 50 10 JKGE CCCCN1C(=O)C(C#N)=C(C)/C(=C\c2ccc(OCc3ccc(Cl)cc3Cl)c(OC)c2)C1=O 38603740 BGJKMRYSRPINEE-RGVLZGJSSA-N 499.394 5.973 50 10 JKGE CCCCCOc1ccc(/C=C2/C(=O)N(Cc3ccc(OC)cc3)C(=O)C(C#N)=C2C)cc1OCC 38608574 MEMKVCKOEJBXJL-LFVJCYFKSA-N 488.584 5.455 50 10 JKGE CCc1ccc(O[C@@H](C)C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@@H]3c2ccccc2Cl)cc1 38651085 MNOGKJHJQGDRNY-IVCQMTBJSA-N 474.944 5.493 50 10 JKGE Cc1cc(OC(=O)c2oc3c(c2C)/C(=N/NC(=O)c2ccc(Cl)cc2)CCC3)ccc1Cl 40811716 JJFPCTQIMLKZMZ-ZXVVBBHZSA-N 471.340 5.893 50 10 JKGE Cc1c(C(=O)Nc2cccc3cccnc23)oc2c1/C(=N/NC(=O)c1cccc(Cl)c1)CCC2 40813382 JBDSVWYHBYUJBF-NDZAJKAJSA-N 472.932 5.512 50 10 JKGE CCc1ccccc1OCC(=O)N/N=C/c1ccc(OCc2ccccc2Cl)c(OC)c1 40888509 JENBRBIAVGULIT-JFLMPSFJSA-N 452.938 5.019 50 10 JKGE COc1cc(/C=C(/C#N)C(=O)Nc2ccc(C)cc2)c(Br)cc1OCc1ccc(C)cc1 59398727 NZAZGRXYTSSMKI-MTJSOVHGSA-N 491.385 6.199 50 10 JKGE COc1ccc(Br)cc1[C@H](Br)c1ccccc1I 109834733 LUNDXRQQJCELEH-CQSZACIVSA-N 481.953 5.547 50 10 JKGE O=c1[nH]c2cc(Br)c([C@H](Br)c3cccc(Cl)c3Cl)cc2[nH]1 109884326 PCGVSWPITOOEEK-GFCCVEGCSA-N 450.945 5.410 50 10 JKGE CCOc1ccccc1[C@H](Br)c1cc(Br)c(Br)s1 128257394 PALIRANORIFMCU-LBPRGKRZSA-N 455.009 6.156 50 10 JKGE COc1cc([C@H](Br)c2cc(Br)ccc2Br)ccc1F 134211354 HKGMDUYFWNTCFT-AWEZNQCLSA-N 452.943 5.844 50 10 JKGE COc1ccc([C@@H](Br)c2ccc(Br)cc2C)c(OC)c1Br 224859234 BKTMIPZQNZMVQN-AWEZNQCLSA-N 479.006 6.022 50 10 JKGE CCOc1cc(Cl)c([C@H](Br)c2cccc(Br)c2Cl)cc1Cl 228454408 FNVGBSZOAIISGJ-CQSZACIVSA-N 473.419 7.292 50 10 JKGE COc1ccc([C@H](Br)c2cc(Br)sc2Br)c(F)c1 228786583 SIFAIXPRWWCPIG-NSHDSACASA-N 458.972 5.905 50 10 JKGE CCc1ccc(CC)c([C@H](Cl)c2cc(Br)ccc2I)c1 234185073 YGUZRIKBHZBMCN-KRWDZBQOSA-N 463.584 6.507 50 10 JKGE COc1ccc(F)cc1[C@H](Br)c1ccc(Br)cc1Br 234852026 DXRRFZACJHQFKN-CQSZACIVSA-N 452.943 5.844 50 10 JKGE Clc1ccc([C@H](Br)c2cc(Br)cc3c2OCC3)cc1Br 236053766 LPWXJJMQVXLOHF-AWEZNQCLSA-N 481.409 6.284 50 10 JKGE O=[N+]([O-])c1ccccc1S[C@@H]1C[C@H]2[C@@H](c3cccc(F)c3N[C@H]2c2ccccc2)[C@@H]1Cl 250812483 LZXBOXFPMAFGKF-KXWVNSKHSA-N 454.954 6.773 50 10 JKGE Cc1nn(-c2ccccc2)c(Cl)c1C=NNC(=O)[C@]1(C)CC[C@@H](c2nc3ccccc3[nH]2)C1(C)C 254573540 RSKPKTQRNONGQM-DCFHFQCYSA-N 489.023 5.771 50 10 JKGE C[C@H](Cl)c1nc2cc(Br)c(F)cc2n1[C@H]1CCN(Cc2ccccc2)[C@H]1C 380531161 UAGMBQYGZFFVTG-NJSLBKSFSA-N 450.783 6.073 50 10 JKGE Cc1ccc([C@@H]2CN(Cc3ccccc3)C[C@H]2CBr)cc1I 382680212 ALQPVMBKWSLVMI-MSOLQXFVSA-N 470.192 5.210 50 10 JKGE COc1ccc(Br)c([C@@H]2CN(Cc3ccccc3)C[C@H]2CI)c1 382700919 YTPCBRMHNKSMGM-CRAIPNDOSA-N 486.191 5.108 50 10 JKGE COc1cc(COc2c(Br)cc(Br)cc2CBr)sn1 401047735 NBXUDZVNTHGSTK-UHFFFAOYSA-N 471.996 5.151 50 10 JKGE CC[C@@H](COc1c(Br)cc(CBr)cc1Br)CC(F)(F)F 402538659 ZPAUAGXYNYRHCB-MRVPVSSYSA-N 482.960 6.464 50 10 JKGE ClC[C@@H](Cc1cc(Cl)ccc1I)c1ccccc1Br 405496487 BGKGOMCBIIFPOJ-LLVKDONJSA-N 469.975 6.272 50 10 JKGE CC[C@H](CC(F)F)CC(CBr)(CBr)c1ccccc1Br 687835809 SJQQNQUWNNEODO-LLVKDONJSA-N 477.025 6.548 50 10 JKGE COCc1cc(Br)c([C@@H](Br)c2cc(Br)ccc2OC)s1 688062087 SBKMZUOLPSAEGP-ZDUSSCGKSA-N 485.035 5.912 50 10 JKGE COCc1cc(Br)c([C@@H](Br)c2ccc(Cl)cc2Br)s1 710902728 MCPHZOCCOJOIRW-LBPRGKRZSA-N 489.454 6.557 50 10 JKGE COCc1cc(Br)c([C@H](Cl)c2cccc(I)c2)s1 710933034 AKJBJAIUKDRLQP-GFCCVEGCSA-N 457.558 5.590 50 10 JKGE C[C@@H]1Cc2cc(Br)cc([C@@H](Cl)c3cccc(I)c3)c2O1 720126089 SEXBOBHTMFKQSN-PSLIRLAXSA-N 463.540 5.705 50 10 JKGE Cc1cccc(C(=O)Nc2ccc(C(=O)NN=Cc3c4ccccc4cc4ccccc34)cc2)c1 725403011 AFKGEBNXESHZTA-UHFFFAOYSA-N 457.533 6.318 50 10 JKGE Cc1cc(C=NNC(=O)[C@H](C)SCc2ccccc2)c(C)n1-c1cc(Cl)ccc1Cl 1083891769 USMAVVZLBCAOTM-KRWDZBQOSA-N 460.430 6.173 50 10 JKGE COc1cc(C=NNC(=O)c2cccs2)cc(Br)c1OCc1ccccc1Cl 1084091160 JJHGAEMYMPQCKF-UHFFFAOYSA-N 479.783 5.516 50 10 JKGE C=CCOc1c(I)cc(/C=C(/C#N)C(=O)Nc2ccc(C)c(C)c2)cc1OC 1084267720 MHQAZVASKIWDFZ-YVLHZVERSA-N 488.325 5.027 50 10 JKGE COc1ccc(N2N=C(C#N)C3=C([C@H](c4ccc(Cl)cc4)C(C#N)=C(N)O3)[C@@H]2c2ccccc2)cc1 1088680972 DFKWOJSUUCRTMX-RSXGOPAZSA-N 493.954 5.551 50 10 JKGE CC(C)(C)c1ccccc1OCC(=O)NN=C1C(=O)N(Cc2ccc(Cl)cc2)c2ccccc21 1772752394 DVMXNZOLQAWMQC-UHFFFAOYSA-N 475.976 5.084 50 10 JKGE CCc1ccccc1OCC(=O)NN=Cc1ccc(OCc2ccccc2Cl)c(OC)c1 1772753255 JENBRBIAVGULIT-UHFFFAOYSA-N 452.938 5.019 50 10 JKGE N#CC1=C(N)Oc2c(c(-c3ccccc3)nn2Cc2cccc(Cl)c2)[C@@H]1c1c(F)cccc1Cl 1865681924 ASLSPIMNOJDOPB-NRFANRHFSA-N 491.353 6.262 50 10 JKGE CCCCCOc1ccc([C@@H]2C(C#N)=C(N)Oc3c2c(C)nn3-c2cccc3ccccc23)cc1 1865690648 XYPMXHXKPOCLSO-HHHXNRCGSA-N 464.569 6.121 50 10 JKGE CCCOc1ccc([C@H]2C(C#N)=C(N)Oc3c2c(-c2ccccc2)nn3Cc2ccccc2F)cc1 1865694053 OSPRGTMHSMRUIQ-VWLOTQADSA-N 480.543 5.744 50 10 JKGE COc1ccc(-c2nn(-c3ccc(Cl)c(Cl)c3)c3c2[C@@H](c2cccs2)C(C#N)=C(N)O3)cc1 1865697711 AASIMQVSNXCLLQ-HXUWFJFHSA-N 495.391 6.134 50 10 JKGE CCc1nn(-c2ccc(Br)cc2)c2c1[C@@H](c1ccc(N(CC)CC)cc1)C(C#N)=C(N)O2 1865702175 OUCJFOQUDGHMHE-QFIPXVFZSA-N 492.421 5.262 50 10 JKGE CCc1nn(Cc2ccc(Cl)c(Cl)c2)c2c1[C@@H](c1ccccc1OC(C)C)C(C#N)=C(N)O2 1865704687 BXKZVLRSXXOQLM-QFIPXVFZSA-N 483.399 5.806 50 10 JKGE CCc1ccc(-c2ccc(C(=O)NNC(=O)/C=C/c3ccc(Cl)cc3Cl)c(C)n2)cc1 1865758743 OWFZMWVOEPMXFF-UKTHLTGXSA-N 454.357 5.401 50 10 JKGE C/C(=N\NC(=O)c1ccc(-c2ccc(Cl)c(Cl)c2)nc1C)c1ccc(OC(C)C)cc1 1865763384 JMMCKRRKLJZXDA-RWPZCVJISA-N 456.373 6.305 50 10 JKGE COCCOc1ccc(/C=C(\C#N)C(=O)Nc2ccc(Cl)cc2C(=O)c2ccccc2)cc1 1866213856 HHFZAYVXKZBQKT-HMMYKYKNSA-N 460.917 5.142 50 10 JKGE CC(C)(C)N1C(=O)c2ccc(/C(O)=C(\C#N)c3nc(-c4ccc([N+](=O)[O-])cc4)cs3)cc2C1=O 1872746855 BROVPFWVMQJDLC-ZZEZOPTASA-N 474.498 5.063 50 10 JKGE COc1ccc(/C=C/C(O)=C(\C#N)c2nc(-c3cc(C(C)(C)C)ccc3OC)cs2)cc1OC 1872751378 FGMWGWIFPMLILU-WTJRMIHXSA-N 476.598 6.639 50 10 JKGE N#C/C(=C(/O)CCc1ccc(Cl)cc1)c1nc(-c2ccc(Oc3ccccc3)cc2)cs1 1872753900 SRYGAIRKSLQRFD-BZZOAKBMSA-N 458.970 7.681 50 10 JKGE CSCC[C@@H](/C(O)=C(\C#N)c1nc(-c2ccc(C)c(C)c2)cs1)N1C(=O)c2ccccc2C1=O 1872756571 QBDZTSXYMACGNG-MBDQKHHZSA-N 489.622 5.638 50 10 JKGE COCCCN1C(=O)c2ccc(/C(O)=C(\C#N)c3nc(-c4ccc(C)c(C)c4)cs3)cc2C1=O 1872756599 RHQGZIMDBGBNJA-LNVKXUELSA-N 473.554 5.009 50 10 JKGE COc1ccc(-c2csc(/C(C#N)=C(\O)COc3ccc(C)cc3C(C)(C)C)n2)cc1Cl 1872757746 UULMAWLGNCPUAV-FXBPSFAMSA-N 469.006 6.950 50 10 JKGE COc1ccc(-c2csc(/C(C#N)=C/c3ccc(OCc4ccccc4)cc3)n2)c(OC)c1OC 1872795278 XGAJIEWXETZZRC-RCCKNPSSSA-N 484.577 6.479 50 10 JKGE CCN(Cc1ccccc1)c1ccc(/C=C(\C#N)c2nc(-c3cc(Cl)ccc3OC)cs2)cc1 1872795306 YKBFWQYZSYUBGG-PXLXIMEGSA-N 486.040 7.563 50 10 JKGE C[C@@H]1CC[C@H]([C@@H](Cl)c2c(Br)sc(Br)c2Br)O1 1897065319 QQJHFPJJAYAEGF-OKMMGKLZSA-N 453.421 5.883 50 10 JKGE Cc1c(Br)sc([C@@H](Br)C(F)(F)C(F)(F)F)c1Br 1922939397 HTNZOLSQECQVOK-RXMQYKEDSA-N 466.889 6.215 50 10 JKGE C[C@@H](c1ccccc1)[C@@H](Br)c1c(Br)sc(Br)c1Cl 1923038930 LOGLVQLGLBBBTC-OIBJUYFYSA-N 473.455 7.166 50 10 JKGE Fc1ccc([C@@H](Cl)c2c(Br)sc(Br)c2Cl)c(F)c1F 1923066706 TZLSMIOJCMLHJO-ZCFIWIBFSA-N 454.920 6.672 50 10 JKGE C[C@@H](C[C@H](Br)c1c(Br)sc(Br)c1Cl)C(F)F 1923075121 XBPQUOJTXUPBRQ-IMJSIDKUSA-N 461.391 6.654 50 10 JKGE Cl[C@@H](c1c(Br)sc(Br)c1Br)[C@H]1CC12CCCC2 1924568650 JTVBJBJWEGJWAL-HZGVNTEJSA-N 463.460 6.896 50 10 JKGE C[C@@H]1COCC[C@H]1[C@H](Cl)c1c(Br)sc(Br)c1Br 1924582740 AABQPAPXDROWOG-KCRUCZTKSA-N 467.448 5.988 50 10 JKGE CC(F)(F)C1([C@@H](Cl)c2c(Br)sc(Br)c2Br)CC1 1924608402 HRIKAYFICVOTSJ-LURJTMIESA-N 473.402 6.751 50 10 JKGE C[C@@H]1CCCC[C@H]1[C@H](Cl)c1c(Br)sc(Br)c1Br 1924612541 CCERGHZHOZUFDJ-XSSZXYGBSA-N 465.476 7.142 50 10 JKGE Fc1cc(Br)cc([C@@H](Br)c2sc(Cl)cc2Br)c1 1948828024 GTGBSWLHXUMXIE-SNVBAGLBSA-N 463.391 6.550 50 10 JKGE C[C@H](c1ccncc1Br)[C@H](Br)c1cscc1OCc1ccccc1 1950316287 GWTFORIRDPDLCP-YJYMSZOUSA-N 467.226 6.724 50 10 JKGE CN(Cc1ccc(Cl)c(Br)c1F)C[C@H](Br)COCc1ccccc1 2001883413 NBEMGADKAIKFNE-HNNXBMFYSA-N 479.615 5.654 50 10 JKGE FC(F)(F)c1csc([C@@H](Br)C2(Br)CCC2)c1Br 2002787811 OPRZXYNIVQCCNC-MRVPVSSYSA-N 456.947 6.283 50 10 JKGE CC1(C)[C@H]2CC[C@@H](C2)[C@@H]1[C@H](Br)c1cc(Br)c(Br)s1 2029601154 SSWTYSZAVFEBNO-LDDIKCJXSA-N 457.069 6.781 50 10 JKGE CC(C)(C1CCCCC1)[C@H](Br)c1cc(Br)c(Br)s1 2032279702 UNDDRCSEFIIEFJ-GFCCVEGCSA-N 459.085 7.316 50 10 JKGE Cc1oc(Br)cc1[C@H](Br)c1cc(C2CC2)c(Br)s1 2033628343 WLFGNRNJHUTQMH-LBPRGKRZSA-N 455.009 6.536 50 10 JKGE CC[C@@H](Br)CN(C(=O)c1cc(Br)sc1Br)C1CC1 2045278398 UONOQKJQNGHUDX-SSDOTTSWSA-N 460.029 5.051 50 10 JKGE O=C(C=Cc1cccc([N+](=O)[O-])c1)OCC(=O)N(N=Cc1ccccc1)c1cccc(C(F)(F)F)c1 2053587606 PMFXWORIXAXJEQ-UHFFFAOYSA-N 497.429 5.237 50 10 JKGE CC(C)(C)c1ccnc(-n2nc(CBr)c(I)c2C(F)(F)F)c1 2078923535 DCCISQXWGNACMR-UHFFFAOYSA-N 488.089 5.083 50 10 JKGE COc1cc(Cl)c([C@@H](Br)c2ccc(Br)o2)cc1Br 2082376727 KKUNLNOGRGMSDH-GFCCVEGCSA-N 459.359 5.951 50 10 JKGE COc1c(Cl)cc(Br)cc1[C@H](Br)c1occc1Br 2082861633 QJABVAVLWPATIO-JTQLQIEISA-N 459.359 5.951 50 10 JKGE O=C(NC[C@H]1CCCC[C@@H]1CBr)c1csc(Br)c1Br 2093944848 QLKDONZAAFKBNB-RKDXNWHRSA-N 474.056 5.204 50 10 JKGE C[C@@H]1CC[C@@H](C(C)(C)c2c(Br)cccc2Br)[C@@H](Br)C1 2094132953 BEDCHCIGEVWLBI-GYSYKLTISA-N 453.056 6.689 50 10 JKGE Cc1cc(Br)c([C@@H](Br)C23CC(C)(C2)O[C@@H]3C)cc1Br 2100455147 PYWNWDHKUNLFGN-JKIGLROPSA-N 453.012 5.914 50 10 JKGE BrCCN(Cc1cc(Br)ccc1Br)C1CCCCC1 2118535661 WPIPXFSFDLXPGI-UHFFFAOYSA-N 454.044 5.741 50 10 JKGE O=C(c1scc(Br)c1Br)N1CC2(CBr)CCC1CC2 2122355138 XKMARJZGGXJEQQ-UHFFFAOYSA-N 472.040 5.053 50 10 JKGE C[C@@H](c1cscc1Br)N(C)c1ccc(Br)cc1CBr 2130024306 KAERZQVVSFOUPG-VIFPVBQESA-N 468.052 6.365 50 10 JKGE Cc1cc(Cl)ccc1[C@@H](Br)c1ccc(Br)c(C)c1Br 2138856238 ZLRNMKIYBKIKMX-OAHLLOKOSA-N 467.426 6.966 50 10 JKGE Cc1c(Br)ccc([C@@H](Br)c2cscc2C(F)F)c1Br 2138862626 KBFYGXDTEMFNQC-GFCCVEGCSA-N 474.990 7.003 50 10 JKGE CC1(C)CCC[C@](CBr)(Cc2c(Br)cccc2Br)CC1 2157075006 HYSZSYHOWAUPKB-QGZVFWFLSA-N 467.083 7.126 50 10 JKGE C[C@H](Cl)c1nc2cc(Cl)c(Br)cc2n1C1CCN(Cc2ccccc2)CC1 2168998543 HFKQNLBBJXXISJ-AWEZNQCLSA-N 467.238 6.589 50 10 JKGE Cc1nc([C@H](Br)c2cc3nc(O)[nH]c3cc2Br)c(Br)s1 2169494728 IEHYZTBJUXXNFM-SECBINFHSA-N 481.995 5.043 50 10 JKGE Cc1c(Cl)cc(CC[C@@H](Br)c2cccc(Br)c2)cc1Br 2169756919 CAPCCQBVRZFFJJ-CQSZACIVSA-N 481.453 7.242 50 10 JKGE COc1c(Cl)cc(Br)cc1[C@@H](Br)c1cc(Cl)cc(Cl)c1 2203003517 NQFDARMQXRUYCU-ZDUSSCGKSA-N 459.392 6.902 50 10 JKGE C[C@@H]1CCC[C@@H]([C@H](Cl)c2c(Br)sc(Br)c2Br)O1 2214323474 GEDTXJLKJULKKS-JHEQGTHGSA-N 467.448 6.273 50 10 JKGE Cc1ccc(I)c([C@H](Br)c2sc(Br)cc2C)c1 2217421188 RADDMUYZVSIXIR-LBPRGKRZSA-N 486.010 6.216 50 10 JKGE Cc1c(Br)csc1[C@H](Br)c1cc(C2CC2)c(Br)s1 2219005008 JNVOMZWXXGNRMN-LLVKDONJSA-N 471.077 7.005 50 10 JKGE Cc1cc(Br)c([C@H](Br)c2cc(Cl)c(Br)cc2F)s1 2221834388 DULXYVZZUFQQSC-LLVKDONJSA-N 477.418 6.858 50 10 JKGE Clc1cccc(C(CBr)(CBr)Cc2cscc2Br)c1 2227116508 YXFSKNIJDKDUDZ-UHFFFAOYSA-N 487.482 6.434 50 10 JKGE CCc1ccsc1[C@@H](Br)c1c(Br)cc(C)c(Br)c1C 2227353923 VGLRZOXFUGFUCU-AWEZNQCLSA-N 467.064 6.937 50 10 JKGE C[C@@H](Cl)c1nc2c(F)cc(Br)cc2n1[C@]1(C)CCN(Cc2ccccc2)C1 2232918133 HCSDBHAVPFASFH-SPLOXXLWSA-N 450.783 5.859 50 10 JKGE CC1(C)C[C@H]([C@H](Br)c2cc(Br)c(Br)cc2F)C(C)(C)O1 2233974336 FAYYWJMURSASIU-NOZJJQNGSA-N 473.018 6.380 50 10 JKGE CC1(C)CCC[C@H]([C@H](Br)c2c(Br)cc(Cl)c(Cl)c2Cl)O1 2235163092 XRTLEVGEBIJVDQ-KOLCDFICSA-N 465.440 7.193 50 10 JKGE Cc1ccc(C(=O)Nc2ccc(Cl)cc2CBr)cc1I 2239478238 GZJAQLMQXZARLQ-UHFFFAOYSA-N 464.528 5.400 50 10 JKGE COc1ncc(CC(CBr)(CBr)c2ccc(Br)cc2)s1 2239974830 MVTXICJGOORKJT-UHFFFAOYSA-N 484.051 5.185 50 10 JKGE Fc1cc([C@H](Cl)c2sc(Br)cc2Br)c(F)cc1Br 2255681142 PUNLYXTXVBKPEP-JTQLQIEISA-N 481.381 6.642 50 10 JKGE CS(=O)(=O)[C@H]1C[C@H]([C@H](Br)c2c(Cl)sc(Br)c2Cl)C1 2257628753 RBIJYBWELGOCJM-VPLCAKHXSA-N 457.036 5.077 50 10 JKGE Cc1c(Br)csc1[C@@H](Cl)Cc1cc(Br)cc(Br)c1 2263516050 WTBMNZBXFHOONE-LBPRGKRZSA-N 473.455 6.867 50 10 JKGE Cc1cc(Br)c([C@H](Br)[C@H]2CCC23CCC3)c(C)c1Br 2266140632 PPMUDDIMKKNIAX-IAQYHMDHSA-N 451.040 6.845 50 10 JKGE C=CC[C@]1(CBr)CCCN1C(=O)c1csc(Br)c1Br 2272141482 QOGVAQWWKUGTAF-CYBMUJFWSA-N 472.040 5.219 50 10 JKGE C[C@H]1CC[C@H]([C@@H](Br)c2c(F)cc(Br)c(F)c2Br)CC1 2272726311 MFXNJRVGVHQQSI-DNSOKLHBSA-N 460.982 6.752 50 10 JKGE Cc1oc(Br)cc1[C@H](Cl)c1c(F)cc(Br)c(F)c1Br 2272855422 LVZURNGEOBNJAL-NSHDSACASA-N 479.340 6.482 50 10 JKGE Fc1cc(C[C@H](Br)c2cccc(F)c2I)ccc1Cl 2277908559 BAFVYSWKMLRZNW-JTQLQIEISA-N 457.483 5.902 50 10 JKGE Brc1cc(Br)cc(C[C@H](Br)[C@H]2CC23CCCCC3)c1 2277952000 CEGRZYLZNRLINQ-CABCVRRESA-N 451.040 6.488 50 10 JKGE Fc1cc(C(Br)c2cc(F)c(Br)cc2F)c(F)cc1Br 2282136320 QHMIXRPRZBRPHL-UHFFFAOYSA-N 476.887 6.252 50 10 JKGE Fc1cc(Br)c(F)c(Br)c1[C@H](Br)C1[C@H]2[C@H]3CC[C@@H](C3)[C@H]12 2288374096 PILIQNCIDSZLJZ-WAXZLOEISA-N 470.977 6.218 50 10 JKGE CCc1ccc(OCCOc2ccc(C=C(C#N)C(=O)NCc3ccco3)cc2Cl)cc1 2293100656 FCYXPOHWKVOASD-UHFFFAOYSA-N 450.922 5.177 50 10 JKGE CC(C)(C)c1ccc(OCCOc2ccc(C=C(C#N)C(=O)NCc3ccco3)cc2Cl)cc1 2293993162 PZKFITZUPHKBKS-UHFFFAOYSA-N 478.976 5.912 50 10 JKGE C[C@@]1([C@H](Br)Cc2cc(Br)cc(Br)c2)CCCCC1(F)F 2295332627 ZGNJIRPIPZIORF-KGLIPLIRSA-N 475.009 6.733 50 10 JKGE COc1ccc(NC(=O)C(C#N)=Cc2c[nH]c3ccc(OCc4ccccc4)cc23)c([N+](=O)[O-])c1 2297306973 PWVYPEANJIYEAR-UHFFFAOYSA-N 468.469 5.209 50 10 JKGE CCN(CC)CCOC(=O)c1ccc(NC=C(C#N)c2nc(-c3cccc([N+](=O)[O-])c3)cs2)cc1 2297461696 GSNSZNCQKWAQEO-UHFFFAOYSA-N 491.573 5.193 50 10 JKGE Cc1nn(-c2ccccc2)c(N2CCCCC2)c1C=C(C#N)C(=O)Nc1ccc(Cl)cc1Cl 2297488352 IFXMLPFONRRBPV-UHFFFAOYSA-N 480.399 6.024 50 10 JKGE C=CCc1ccc(OCCOc2c(Cl)cc(C=C(C#N)C(=O)OCC)cc2OCC)c(OC)c1 2297498734 WCGWVYOJHBKRJK-UHFFFAOYSA-N 485.964 5.404 50 10 JKGE COc1ccc(C=C(C#N)C(=O)Nc2ccc(C)c(C)c2)cc1COc1ccc2c(c1)CCC2 2297616746 OLFOVYXTJCFMST-UHFFFAOYSA-N 452.554 5.925 50 10 JKGE C[C@@H]1CCO[C@@H]1C[C@H](Br)c1ccc(OCc2ccccc2)cc1Br 2299489146 MVJVMGLYJQODAX-VOBQZIQPSA-N 454.202 6.279 50 10 JKGE CC1(C)CO[C@H]([C@H](Br)c2ccc(OCc3ccccc3)cc2Br)C1 2299490180 WPXVMVLRYAIHEH-RBUKOAKNSA-N 454.202 6.279 50 10 JKGE Clc1cccc([C@H](Br)c2ccc(OCc3ccccc3)cc2Br)c1 2299492469 CULJHNWNAWCQBP-FQEVSTJZSA-N 466.600 7.166 50 10 JKGE CC(C)([C@@H](Br)c1ccc(OCc2ccccc2)cc1Br)S(C)(=O)=O 2299495746 LTDFFLZCIDOEEG-KRWDZBQOSA-N 476.230 5.287 50 10 JKGE C[C@@H](C[C@H](Br)c1cc(Br)ccc1OCc1ccccc1)C(C)(C)C 2299499974 BEMMWDBLWBFZHY-KXBFYZLASA-N 454.246 7.536 50 10 JKGE CCCc1sc(Br)cc1[C@H](Br)c1ccc(Br)s1 2300647149 VNISDDURYKAIGU-LBPRGKRZSA-N 459.066 6.771 50 10 JKGE N#CC(=Cc1cn(-c2ccccc2)nc1-c1cccc([N+](=O)[O-])c1)c1nc(O)c2ccccc2n1 2314432497 AIEHMSARRTVEML-UHFFFAOYSA-N 460.453 5.160 50 10 JKGE Brc1ccc(OCc2ccccc2)c([C@H](Br)C[C@@H]2CCC[C@@H]3C[C@H]23)c1 2314441554 ZQTIJQPBGOGIAP-QRKMNUTDSA-N 464.241 7.290 50 10 JKGE FC(F)(F)CC1([C@@H](Br)c2ccc(OCc3ccccc3)cc2Br)CC1 2314450082 VXUQVXJMQIEARA-KRWDZBQOSA-N 478.146 7.197 50 10 JKGE Cc1cccc(Oc2nc3c(C)cccn3c(=O)c2C=C(C#N)C(=O)Nc2ccccc2Cl)c1 2314532528 KGHMBRZPGXCNEH-UHFFFAOYSA-N 470.916 5.303 50 10 JKGE N#CC(=Cc1ccc(-c2cccc(Cl)c2)o1)C(=O)Nc1ccc(C(F)(F)F)c(Cl)c1 2314571891 NYWSOYVPRAPSAQ-UHFFFAOYSA-N 451.231 6.818 50 10 JKGE CCc1ccc(N2C(=O)[C@@H](Cc3ccccc3Cl)SC2=C(C#N)C(=O)Nc2ccccc2)cc1 2314593622 QAXFHJASDGCMIO-XMMPIXPASA-N 488.012 5.967 50 10 JKGE CCCCCCCOc1ccc(C=C2C(=O)N(C[C@@H]3CCCO3)C(=O)C(C#N)=C2C)cc1OCC 2314618119 HOCDEKNQOQDFNV-QFIPXVFZSA-N 480.605 5.206 50 10 JKGE CC1=C(C#N)C(=O)N(Cc2ccc(F)cc2)C(=O)C1=Cc1ccc(OCc2ccc(F)cc2)cc1 2314619955 HXIQKJHBFDTNFH-UHFFFAOYSA-N 470.475 5.336 50 10 JKGE N#CC(=Cc1ccc(OC(=O)COc2ccc(-c3ccccc3)cc2)cc1)C(=O)NCc1ccco1 2314755145 VRULWYHIESBCIT-UHFFFAOYSA-N 478.504 5.154 50 10 JKGE CCOc1ccc(C=CC(=O)Oc2ccc(C=C(C#N)c3ccccc3)cc2OC)cc1OC 2320506842 SQGXKLFSSGRXBB-UHFFFAOYSA-N 455.510 5.785 50 10 JKGE N#CC(=C(O)CCCOc1ccc2ccccc2c1)c1nc(-c2ccc3c(c2)CCCC3)cs1 2331239891 ORIRAMSZHWAQJQ-UHFFFAOYSA-N 466.606 7.494 50 10 JKGE CC(C)(C)c1csc(C(C#N)=C(O)CCCCCCCCCCN2C(=O)c3ccccc3C2=O)n1 2331306087 ITHVISYANKBHOB-UHFFFAOYSA-N 493.673 7.040 50 10 JKGE C[C@H](Oc1ccc(Cl)cc1Cl)C(O)=C(C#N)c1nc(-c2ccc(Cl)c(Cl)c2)cs1 2331311871 HSNRFOZXZJSTEH-JTQLQIEISA-N 486.207 7.684 50 10 JKGE COc1ccc(-c2csc(C(C#N)=C(O)c3cccc(OCC(C)C)c3)n2)c2ccccc12 2331408140 CHFAUSPZNAKFIO-UHFFFAOYSA-N 456.567 6.957 50 10 JKGE Fc1cc(F)c(CBr)c(Oc2cc(Br)cc(Br)c2)c1 2338756632 BGEMQUGVRKCYDW-UHFFFAOYSA-N 456.906 6.177 50 10 JKGE Cc1cc(Br)c(F)c(Br)c1[C@@H](Br)Cc1ccccc1 2339645379 HNGAJAYZXHOETE-NSHDSACASA-N 450.971 6.338 50 10 JKGE CCCC[C@@H](CC)[C@@H](Br)c1c(C)cc(Br)c(F)c1Br 2339645585 JGQXZNPQUIYHMN-ZWNOBZJWSA-N 459.035 7.312 50 10 JKGE COc1c(F)cc([C@@H](Br)c2cc(Br)sc2Br)cc1F 2344295707 NAXYATQTADFIST-SNVBAGLBSA-N 476.962 6.044 50 10 JKGE CC(C)(C)[C@@](C)(CBr)COCc1ccc(Cl)cc1I 2352104225 MSLBFVIUADLWRE-HNNXBMFYSA-N 459.593 5.909 50 10 JKGE Cc1nn(C)c([C@@H](Br)c2c(F)cc(Cl)c(Br)c2Cl)c1Cl 2360484362 RBGJCHFSZRLPSK-VIFPVBQESA-N 465.375 6.075 50 10 JKGE Fc1cc([C@H](Cl)c2ccc(OCc3ccccc3)cc2Br)c(F)c(F)c1F 2361200144 HCHUOZCLGHBWCW-QGZVFWFLSA-N 459.664 6.913 50 10 JKGE Cc1cc(C)cc([C@H](Br)c2c(Cl)cc(Br)c(F)c2Br)c1 2362222323 HRVLJIIVIZDTAE-ZDUSSCGKSA-N 485.416 7.105 50 10 JKGE CC[C@@H](Br)[C@H]1CCCCN1C(=O)c1ccc(Cl)cc1I 2365582976 XRXJJHDZKRGIPL-TZMCWYRMSA-N 470.576 5.113 50 10 JKGE Cc1cccc(C(=O)Nc2ccc(C(=O)N/N=C/c3ccc(OCc4ccccc4)cc3)cc2)c1 12577373 KIOKTMGYOWFMOT-NDZAJKAJSA-N 463.537 5.590 50 10 JKGE Cc1ccc(OCC(=O)NNC(=O)N2c3ccccc3Sc3ccccc32)c(Br)c1 13988885 XUVNZIDKJLJKPQ-UHFFFAOYSA-N 484.375 5.180 50 10 JKGE Cc1ccc(NC(=O)/C(C#N)=C2/S[C@H](Cc3ccc(F)cc3)C(=O)N2c2ccccc2)cc1 33656775 BFEZNVQGIZRJFL-QPQMVVSWSA-N 457.530 5.199 50 10 JKGE N#C/C(=C/c1ccc(-c2ccc([N+](=O)[O-])cc2Cl)o1)C(=O)Nc1cc([N+](=O)[O-])ccc1F 33930429 NKKYGBNVKCSIQX-XFFZJAGNSA-N 456.773 5.101 50 10 JKGE CCCOc1ccc(-c2nn(-c3ccccc3)cc2/C=C(\C#N)c2nc(O)c3ccccc3n2)cc1C 34983904 PUOBIRTYXCRZFU-OQKWZONESA-N 487.563 6.350 50 10 JKGE CC(C)COc1ccc(C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@@H]3c2c(F)cccc2Cl)cc1 38680457 QIQWIBALZRCMOH-XMMPIXPASA-N 492.934 5.951 50 10 JKGE CCCCOc1ccccc1[C@@H]1C(C#N)=C(N)Oc2cc(OC(=O)Cc3ccccc3)ccc21 38683156 NQXQFHAQHWTDDT-MHZLTWQESA-N 454.526 5.232 50 10 JKGE Cc1ccc(Cl)cc1NC(=O)c1oc2c(c1C)/C(=N/NC(=O)c1cccc([N+](=O)[O-])c1)CCC2 40813017 GOSBFMZDRWKCQG-OVVQPSECSA-N 480.908 5.181 50 10 JKGE CCCCOc1cccc(/C=N/NC(=O)CSc2nc(-c3ccc(Cl)cc3)cs2)c1 40924880 AOYFCIBZYIEDNR-ZMOGYAJESA-N 460.024 5.885 50 10 JKGE CCOc1ccc([C@H](O)CCC(=O)N/N=C\c2cc(C)n(-c3cccc(Br)c3)c2C)cc1 58894375 IQWAFLJTNKMFLF-YMCFUUGVSA-N 498.421 5.219 50 10 JKGE CCOc1ccc(NC(=O)/C(C#N)=C/c2cn(Cc3ccc(Cl)c(Cl)c3)c3ccccc23)cc1 59245174 LIQOTOJORHYCMJ-XMHGGMMESA-N 490.390 6.941 50 10 JKGE Fc1cc([C@H](Br)c2cc(Br)ccc2F)c(F)cc1Br 70474298 ZSJDPZFYANQIKF-CYBMUJFWSA-N 458.897 6.113 50 10 JKGE COc1ccc(-c2csc(/C(C#N)=C/c3cccc(I)c3)n2)cc1OC 83314915 WVKAEIGIFGEKHE-OVCLIPMQSA-N 474.323 5.496 50 10 JKGE COc1cc([N+](=O)[O-])ccc1NC(=O)/C(C#N)=C\c1cccc(OCc2ccc(Cl)cc2)c1 97994776 LWVMNBFLLRZVCX-WQRHYEAKSA-N 463.877 5.381 50 10 JKGE Fc1cc([C@H](Cl)c2cc(Br)sc2Br)ccc1Br 109825077 JLKYAFYXQISNSL-JTQLQIEISA-N 463.391 6.503 50 10 JKGE Brc1cc([C@H](Br)c2cccc3ccccc23)c(Br)s1 109870021 HWKNBSSYDWRTPA-CQSZACIVSA-N 461.016 6.911 50 10 JKGE Fc1cc(Br)cc([C@H](Br)c2cc(Cl)c(Br)s2)c1 127549950 TXSDJXGQRXBFOG-JTQLQIEISA-N 463.391 6.550 50 10 JKGE Cc1cc(Br)c([C@H](Br)Cc2ccccc2F)cc1Br 128738299 VPMCRHYQIQQGKR-CQSZACIVSA-N 450.971 6.338 50 10 JKGE Cc1ccc([C@@H](Br)c2cc(Br)c(C)cc2Br)c(F)c1 128783696 KSGAMDOXLSHRCG-OAHLLOKOSA-N 450.971 6.452 50 10 JKGE O=[N+]([O-])c1ccccc1C[C@H](Br)c1cc(Br)c(Br)s1 128929283 JFPVFWNUBFXJEG-QMMMGPOBSA-N 469.980 5.860 50 10 JKGE Brc1cc([C@H](Br)C2C3CC4CC(C3)CC2C4)sc1Br 168436409 DNUWNIZJKRWYGD-HNVPQFPVSA-N 469.080 6.781 50 10 JKGE CCOc1cc(/C=C2\C(=O)N([C@@H](C)CC)C(=O)C(C#N)=C2C)ccc1OCc1ccc(C)cc1 214269164 ZMIFXCAOTUPYSE-CSMVZQPBSA-N 458.558 5.364 50 10 JKGE CCOc1cc(/C=C2\C(=O)N([C@H](C)c3ccccc3)C(=O)C(C#N)=C2C)ccc1OCc1ccccc1 214343323 GKCNMQAWUGFMOW-FXTYVIBOSA-N 492.575 6.018 50 10 JKGE COc1cc(/C=C2\C(=O)N(C3CCCCC3)C(=O)C(C#N)=C2C)ccc1OCc1ccc(C)cc1 214367999 BVJFGOPAYNGAFL-IWIPYMOSSA-N 470.569 5.508 50 10 JKGE COc1ccc([C@H](Br)c2cc(Br)ccc2Cl)c(OC)c1Br 224865434 AKDGEDHHSRYPJT-ZDUSSCGKSA-N 499.424 6.367 50 10 JKGE COc1cc(C)c(Br)cc1[C@H](Br)c1cccc(Br)c1Cl 228453543 UUKADKUVZYBUGT-CQSZACIVSA-N 483.425 6.666 50 10 JKGE Cc1cc(Br)c([C@H](Cl)c2ccc(F)c(Br)c2)cc1Br 235824231 QBFRNBNKYRBMPZ-CQSZACIVSA-N 471.389 6.750 50 10 JKGE Cc1ccc(CSc2nnc(SCC(=O)NN=Cc3ccccc3C(F)(F)F)s2)cc1 254406730 PFERLRHWENXCPZ-UHFFFAOYSA-N 482.578 5.400 50 10 JKGE CCCOc1ccc(C=NNC(=O)COc2ccc(-c3ccc(C#N)cc3)cc2)c(OCCC)c1 254908069 NAJJFSZGLOLYDN-UHFFFAOYSA-N 471.557 5.332 50 10 JKGE Cc1cccc(Br)c1[C@H](Br)c1cc2c(cc1Br)OCC2 308414722 LPEYBLAYTXIJTB-MRXNPFEDSA-N 460.991 5.939 50 10 JKGE O=S(=O)(c1cc(CCl)c(Cl)cc1Cl)N(Cc1ccccc1)Cc1ccccc1 379427948 CSFSBKULOCHTCM-UHFFFAOYSA-N 454.806 6.123 50 10 JKGE Fc1cc(Br)c([C@@H](Br)c2cccc(OCc3ccccc3)c2)c(F)c1F 398507211 FBZYEPXKPNPZNK-SFHVURJKSA-N 486.125 6.930 50 10 JKGE 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 503996385 QGDQJFKTMDHPQG-XABJGELVSA-N 491.200 9.245 50 10 JKGE CC(C)(C)[Si](C)(C)OCCc1cccc([C@@H]2CNCCN2CCO[Si](C)(C)C(C)(C)C)c1 616635273 BOLJWHBXUABZCD-DEOSSOPVSA-N 478.870 6.219 50 10 JKGE COc1cc(Br)c([C@H](Br)c2ncsc2Br)cc1OC 698656305 WGMWUQMVXIGVKR-JTQLQIEISA-N 471.996 5.170 50 10 JKGE C[C@@H]1CC[C@](C)([C@@H](Br)c2cc(Br)sc2Br)C1(C)C 699054951 YDSPAEMSVXTZMZ-FDLBOYPASA-N 459.085 7.172 50 10 JKGE CCc1nn(C)c2c1nc([C@H](C)Cl)n2CC1(N(Cc2ccccc2)Cc2ccccc2)COC1 705604258 KTDAWNDPQKJHTK-FQEVSTJZSA-N 478.040 5.103 50 10 JKGE Cl[C@H](c1ccc(I)c(Br)c1)c1ccc(C2CC2)s1 707896279 BCDLVDLRDQPQSE-CQSZACIVSA-N 453.570 6.321 50 10 JKGE C[C@@H]1CCN(Cc2ccccc2)C[C@H]1n1c(CCl)nc2ccc(F)c(Br)c21 716302449 UHAHLSWHDXAAID-RDTXWAMCSA-N 450.783 5.760 50 10 JKGE Cc1ccc(CSCC(=O)NN=Cc2ccc(OCc3cccc4ccccc34)cc2)cc1 1083995718 UUYUMXZLEAAUCZ-UHFFFAOYSA-N 454.595 6.111 50 10 JKGE Cc1ccc(NC(=O)/C(C#N)=C\c2cc(Br)ccc2OCc2cccc(Cl)c2)c(C)c1 1084316431 MWHMBSWPHLQMDA-NDENLUEZSA-N 495.804 6.844 50 10 JKGE Cc1cc(NC(=O)OC(C)(C)C)ccc1NS(=O)(=O)c1ccc(CBr)cc1 1260510597 MWBVQPRZNYCMKU-UHFFFAOYSA-N 455.374 5.038 50 10 JKGE Cc1ccc(NC(=O)c2oc3c(c2C)C(=NNC(=O)Cc2coc4cc(C)cc(C)c24)CCC3)cc1 1772751884 CRRJAUQOQWKDMT-UHFFFAOYSA-N 483.568 5.911 50 10 JKGE O=C(NNC(=O)c1ccc(-c2ccc3ccccc3c2)s1)c1ccc(Br)cc1 1860391463 IBOUWYCPMZBEQZ-UHFFFAOYSA-N 451.345 5.406 50 10 JKGE Cc1ccc(-n2nc(C(F)(F)F)c3c2OC(N)=C(C#N)[C@H]3c2ccc(Cl)cc2Cl)cc1 1865684895 ANSREAXGGOHCGO-MRXNPFEDSA-N 465.262 5.725 50 10 JKGE CCCCC1CCC(C(=O)NNC(=O)c2ccc(-c3ccc(Cl)cc3Cl)nc2C)CC1 1865759762 QSJBRSZVGVAXEF-UHFFFAOYSA-N 462.421 6.121 50 10 JKGE COc1ccc([C@@H](C(=O)N[C@H](Cc2ccccc2)C(=O)Nc2ccc(SC#N)cc2)C(C)C)cc1 1866985358 CTFYOOWAJLDUNX-FTJBHMTQSA-N 487.625 5.374 50 10 JKGE COc1cccc(/C=C(\C#N)c2nc3ccc(C)cc3[nH]2)c1OCc1ccc(Cl)c(Cl)c1 1872727800 AOMIJXUQHRZSCT-LDADJPATSA-N 464.352 6.830 50 10 JKGE COc1cc(/C=C(\C#N)c2ccc(Cl)cc2F)ccc1OCC(=O)Nc1ccc(C)cc1C 1872729539 QAZSKRYBCXFVCX-YBFXNURJSA-N 464.924 6.186 50 10 JKGE CC[C@H](C)N1C(=O)c2ccc(/C(O)=C(\C#N)c3nc(-c4ccc(F)c(C)c4)cs3)cc2C1=O 1872750088 VZLQCMWPJILOFE-RPIBDXEDSA-N 461.518 5.602 50 10 JKGE COc1ccc(OC)c(C/C(O)=C(\C#N)c2nc(-c3ccc(OC)c4ccccc34)cs2)c1 1872758528 FJZKRIIVXULDIJ-LNVKXUELSA-N 458.539 6.024 50 10 JKGE CCOc1c(Br)cc(/C=C(\C#N)c2nc(-c3ccc(C)cc3)cs2)cc1OC 1872790368 DIVNXWVHSABULK-RQZCQDPDSA-N 455.377 6.353 50 10 JKGE CCCOc1ccc(-c2csc(/C(C#N)=C(\O)CCCOc3ccccc3C)n2)cc1OCCC 1872818311 WRVXBPYSLIVKFN-GYHWCHFESA-N 492.641 7.348 50 10 JKGE Cl[C@H](c1ccc(Br)s1)c1ccc(OCc2ccccc2)cc1Br 1899857334 AUZXPFNJRCPNDX-SFHVURJKSA-N 472.629 7.180 50 10 JKGE Cl[C@@H](c1cscc1Br)c1cc(Br)ccc1OCc1ccccc1 1899866617 XMDRMMAAQTUCNX-GOSISDBHSA-N 472.629 7.180 50 10 JKGE CC[C@@H](Br)CN(Cc1ccccc1)Cc1ccc(Br)cc1Br 1915092985 PNIGBHGFPKGRES-MRXNPFEDSA-N 490.077 6.387 50 10 JKGE CCOc1ccc([C@H](Br)c2cc(C)c(Br)o2)c(Br)c1 1917604456 APTXNOJUWNBCOW-ZDUSSCGKSA-N 452.968 5.996 50 10 JKGE Clc1ccc(C[C@H](Br)c2cc(Cl)ccc2I)nc1 1918238039 BLTLLDNNIWXWES-LBPRGKRZSA-N 456.936 5.672 50 10 JKGE CCCCCC[C@H](Br)c1c(Br)sc(Br)c1Cl 1923067824 JFMWJZWJAFMHAK-ZETCQYMHSA-N 453.465 7.333 50 10 JKGE Cc1cc(Br)c([C@H](Br)[C@H](C)C2CCCCC2)cc1Br 1923886656 JROXGWBGGHLBHS-BDJLRTHQSA-N 453.056 7.172 50 10 JKGE CC1(C)C[C@@H]1[C@@H](Br)c1c(Br)sc(Br)c1Br 1924576775 SCMIMWMGTILHJJ-INEUFUBQSA-N 481.873 6.518 50 10 JKGE Brc1sc(Br)c([C@@H](Br)C2CCOCC2)c1Br 1924579847 KYVLFAKCUGAJSA-ZETCQYMHSA-N 497.872 5.898 50 10 JKGE COc1ccc(Cl)cc1[C@H](Br)c1c(Cl)sc(Br)c1Cl 1925589598 LDJZLGDCMZKDTC-VIFPVBQESA-N 465.421 6.964 50 10 JKGE BrCc1cc(Br)c(OC[C@H]2C[C@H](Br)C2)c(Br)c1 2020239000 JBNCJZGTJPOCQC-KYZUINATSA-N 491.843 5.659 50 10 JKGE CC1(C)C2CCC1([C@@H](Br)c1cc(Br)c(Br)s1)CC2 2033434201 AZGYZQPDTOODIQ-PGMTZQPISA-N 457.069 6.926 50 10 JKGE ClCc1ccc(Br)c(Oc2ccc(Br)cc2Br)n1 2056935504 WFMYKXWKDYVYRE-UHFFFAOYSA-N 456.359 5.900 50 10 JKGE CC1(C)CCC2(CC1)CC(O[C@H]1CN(C(=O)OC(C)(C)C)C[C@H]1I)C2 2073144727 RVDQUUBZPBXMJO-CVEARBPZSA-N 463.400 5.175 50 10 JKGE Brc1cc([C@H](Br)[C@H]2C[C@@H]2C2CCOCC2)c(Br)s1 2079392736 MEPVTLLRNAPMJT-VDDIYKPWSA-N 459.041 5.772 50 10 JKGE CC(C)CN1C[C@H](Br)[C@H](Cc2c(Br)cccc2Br)C1 2100722121 KIOYEIHFQYDSDE-ABAIWWIYSA-N 454.044 5.105 50 10 JKGE CN(Cc1cc(Cl)ccc1I)C1(CBr)CCCCC1 2113921090 HEDJJPQWKLDHTA-UHFFFAOYSA-N 456.593 5.474 50 10 JKGE CN(Cc1c(Br)cccc1Br)[C@@H](CCBr)C(F)(F)F 2122000461 HYHDGYRZTMDFDM-NSHDSACASA-N 467.949 5.359 50 10 JKGE Cc1cc(Br)c([C@@H](Br)C2(CC3CC3)CCC2)cc1Br 2133318651 HTINCRDDRXZWCL-OAHLLOKOSA-N 451.040 6.926 50 10 JKGE CN(c1ccc(Br)cc1CBr)[C@@H]1C[C@@H]2C[C@@H](OCc3ccccc3)C[C@H]21 2134020150 UDXPJJYFCZYSDI-AQZFEABFSA-N 479.256 6.164 50 10 JKGE Cc1cc(F)c(F)cc1[C@@H](Cl)c1ccc(Br)cc1I 2142280117 ZDLSBDBYXZVDAL-AWEZNQCLSA-N 457.483 5.969 50 10 JKGE Clc1cc([C@@H](Cl)Cc2ccccc2I)c(Cl)c(Cl)c1Cl 2143868388 NWMNJFBXUBFNIC-VIFPVBQESA-N 480.387 7.427 50 10 JKGE Cc1cc(CCl)cc(S(=O)(=O)N(Cc2ccccc2)[C@@H](C)C(C)(C)C)c1Br 2152244343 RWWLLUBHVARNBU-INIZCTEOSA-N 472.876 6.122 50 10 JKGE Clc1c(Br)ccc(CBr)c1N1CCc2cc(Br)ccc21 2154365759 NIVXVOFBKURSMF-UHFFFAOYSA-N 480.425 6.454 50 10 JKGE COc1cccc([C@H](Br)CCc2cc(Cl)ccc2I)c1 2155646850 SWAYQDRJPDIYQX-OAHLLOKOSA-N 465.556 6.022 50 10 JKGE Cc1cc2sc([C@@H](Br)c3cc(Br)c(C)cc3Br)cc2s1 2156564137 FFJKJJFQNBURKT-HNNXBMFYSA-N 495.099 7.589 50 10 JKGE ClCCc1nc2cc(Br)c(Cl)cc2n1C1CCN(Cc2ccccc2)CC1 2159876058 XBJBZGCYZCHZOL-UHFFFAOYSA-N 467.238 6.071 50 10 JKGE Cc1c([C@H](Br)c2cc(Cl)c(Cl)c(Cl)c2Cl)nn(C)c1Br 2168218655 RMGAETYWRCWAIA-SSDOTTSWSA-N 481.830 6.589 50 10 JKGE ClCc1nc2cc(Cl)c(Br)cc2n1CC1CCN(Cc2ccccc2)CC1 2168998186 FRIVBSWKEUGWRN-UHFFFAOYSA-N 467.238 6.103 50 10 JKGE CC[C@H](Br)[C@@H]1CCCCN1C(=O)c1cc(Br)ccc1Br 2170612262 HOOPVWKNMPVEKS-JSGCOSHPSA-N 468.027 5.380 50 10 JKGE Cc1ccccc1C[C@H](CBr)Cc1cc(Br)ccc1Br 2175148234 WIMUOSDYFIZWJH-ZDUSSCGKSA-N 461.035 6.316 50 10 JKGE Cc1nn(C)c([C@H](Br)c2cc(Cl)c(Cl)c(Cl)c2Cl)c1Br 2192371849 BIBHTBPMWLXKKA-MRVPVSSYSA-N 481.830 6.589 50 10 JKGE Fc1ccc(I)cc1[C@H](Cl)c1c(Br)cc(F)c(Cl)c1F 2201607640 GONCBDHRRBYDKH-NSHDSACASA-N 495.891 6.453 50 10 JKGE Cc1c(Br)ccc([C@@H](Br)[C@H]2CCn3ccnc3C2)c1Br 2203703681 JOZKBICERZHRJM-BONVTDFDSA-N 463.011 5.415 50 10 JKGE O=C(c1cccc(Br)c1Br)N1[C@@H](CBr)CCC12CCC2 2205770506 RFIMHHJFVMOPLE-SNVBAGLBSA-N 466.011 5.134 50 10 JKGE Cc1cc(Br)c([C@H](Br)[C@H]2C[C@H]2Br)c(C)c1Br 2211162247 SVYVVKBCRMLQTG-JOAULVNJSA-N 475.844 6.048 50 10 JKGE Cc1sc(Br)c(C)c1[C@H](Br)c1cccc(I)c1 2213634201 BTZCKQIWTQZCKO-GFCCVEGCSA-N 486.010 6.216 50 10 JKGE Cc1cc(C)c([C@H](Cl)c2c(Br)sc(Br)c2Br)s1 2213681396 GAKQNPXNQXSFAW-MRVPVSSYSA-N 479.484 7.042 50 10 JKGE CCCN(CCCCCI)C1CCC(NC(=O)OC(C)(C)C)CC1 2214704233 AVYRORGQQOWTOS-UHFFFAOYSA-N 452.421 5.140 50 10 JKGE Clc1cc(Br)c([C@H](Br)c2occc2Br)c(Cl)c1Cl 2217612076 ACYYKKBKEYBGKC-QMMMGPOBSA-N 498.223 7.249 50 10 JKGE Fc1cc(Br)cc(CBr)c1OCc1nscc1Br 2219912684 GVUIGNDWJXCHON-UHFFFAOYSA-N 459.960 5.281 50 10 JKGE Fc1ccc([C@H](Cl)c2ccc(Br)cc2I)c(F)c1F 2225928906 YWKVDKMQMXVHAJ-LLVKDONJSA-N 461.446 5.799 50 10 JKGE Cc1c(Br)csc1[C@@H](Br)c1cc(Cl)c(Cl)c(Cl)c1Cl 2226121062 HHPAEKNIASUKRL-QMMMGPOBSA-N 483.867 7.917 50 10 JKGE Clc1cc(Cl)cc(C[C@@H](Cl)c2ccc(Br)cc2I)c1 2232134658 XDAPLXPMGABDHR-CYBMUJFWSA-N 490.393 6.883 50 10 JKGE CCOCc1cc(Br)c([C@@H](Br)c2cc(F)ccc2Br)s1 2233019781 IKQCSNRGDYBQJR-ZDUSSCGKSA-N 487.026 6.433 50 10 JKGE CCOc1cc(Cl)c([C@H](Br)c2cc(Br)c(C)s2)cc1Cl 2234473365 FAOBDMTUMNJICW-AWEZNQCLSA-N 459.030 7.009 50 10 JKGE Cc1ccc(-n2c(CCl)nc3c(Br)cccc32)c(I)c1 2240589064 KPQJXGYHGFFMJW-UHFFFAOYSA-N 461.528 5.440 50 10 JKGE Cc1cc(Br)c([C@H](Br)c2nscc2Br)c(C)c1F 2253529434 YAHVKBVTKTWCFG-JTQLQIEISA-N 457.988 5.908 50 10 JKGE Cl[C@H](c1cc2sc(Br)cc2s1)c1ccccc1I 2263621441 VTWMJWYOEAZRAT-ZDUSSCGKSA-N 469.594 6.658 50 10 JKGE Fc1cccc(Br)c1C[C@H](CBr)c1ccc(Br)cc1 2273829095 XJMKLSGFQSNIEG-LLVKDONJSA-N 450.971 6.072 50 10 JKGE FC(F)CC1([C@@H](Br)Cc2cc(Br)cc(Br)c2)CCC1 2277962480 ICOAWMSEEIAPSJ-LBPRGKRZSA-N 460.982 6.343 50 10 JKGE Brc1cc(Br)cc(C[C@H](Br)C[C@@H]2CCCOCC2)c1 2277962629 JOLISEAOOWYNFH-DGCLKSJQSA-N 455.028 5.724 50 10 JKGE CC(C)C[C@H](C(C)C)[C@@H](Br)Cc1cc(Br)cc(Br)c1 2277962954 OAXLWYOORRWEKK-CVEARBPZSA-N 455.072 6.836 50 10 JKGE Clc1c(Br)csc1[C@H](Cl)c1ccc(Br)c2ccccc12 2279283569 OBAGCEVGDASPIQ-CYBMUJFWSA-N 451.010 7.408 50 10 JKGE O=C(c1cc(Br)c(Br)s1)N1C[C@H](Br)C[C@@H]2CCCC[C@H]21 2279557408 YYUSASLRDASRQZ-IQJOONFLSA-N 486.067 5.441 50 10 JKGE CN(Cc1cccc(I)c1)c1c(CBr)ccc(F)c1F 2280263365 GSNOPEYZJNNHBC-UHFFFAOYSA-N 452.080 5.101 50 10 JKGE COc1cc(C)c(Cl)cc1[C@@H](Br)c1cccc(F)c1I 2295292656 UTZLTWXZWCOCLV-AWEZNQCLSA-N 469.519 5.885 50 10 JKGE CCCc1ccccc1[C@H](Br)Cc1cc(Br)cc(Br)c1 2295336625 YTSWZGDGQCCKEG-QGZVFWFLSA-N 461.035 6.843 50 10 JKGE COc1cc([N+](=O)[O-])ccc1NC(=O)C(C#N)=Cc1ccc(OC)c(OCc2ccccc2Cl)c1 2295459586 BDGHERFNISOYKI-UHFFFAOYSA-N 493.903 5.390 50 10 JKGE CCOC(=O)c1c(-c2ccccc2)csc1NC(=O)C(C#N)=Cc1ccc(Cl)cc1Cl 2296495461 SCRSBUQUXRIKQQ-UHFFFAOYSA-N 471.365 6.444 50 10 JKGE CCOc1cc(C=C(C#N)C(=O)Nc2ccc(C)cc2)cc(Cl)c1OCc1ccccc1F 2313540995 IOIVSXSEHGLEMQ-UHFFFAOYSA-N 464.924 6.311 50 10 JKGE C=CCc1cc(C=C(C#N)C(=O)Nc2cccc(Cl)c2Cl)ccc1OCc1cccc(F)c1 2313571232 QJJLJOBZFYCFMF-UHFFFAOYSA-N 481.354 6.986 50 10 JKGE C[C@@H](C[C@H](Br)c1ccc(OCc2ccccc2)cc1Br)CC(C)(C)C 2314499265 AQMOMNQXCOCCKX-JXFKEZNVSA-N 468.273 7.927 50 10 JKGE COc1cc(C=C(C#N)c2ccc(Cl)cc2)ccc1OC(=O)c1sc2ccccc2c1Cl 2314792544 SHUNWYHPUQUWKE-UHFFFAOYSA-N 480.372 7.500 50 10 JKGE Cc1cc(I)ccc1NC=C(C#N)C(=O)N[C@H](C)C12CC3CC(CC(C3)C1)C2 2324900482 YWCXVCODGPDWCK-LRYXAPPNSA-N 489.401 5.140 50 10 JKGE COc1ccc2c(c1)c(C=C1Oc3cc(OCc4cccc(CCl)c4)ccc3C1=O)cn2C 2325361171 XCXJORSLFFJOJI-UHFFFAOYSA-N 459.929 6.121 50 10 JKGE O=C(NN=C1C(=O)N(Cc2ccccc2Cl)c2ccccc21)c1ccc(Cl)c(Cl)c1 2326839022 SSBAZIFAKATDCH-UHFFFAOYSA-N 458.732 5.328 50 10 JKGE N#CC(=Cc1ccc(Br)cc1)C(=O)Nc1nc(-c2ccc(Br)cc2)cs1 2329663666 RJUHCRKWFPVWQL-UHFFFAOYSA-N 489.192 5.881 50 10 JKGE CCOc1ccc(-c2csc(C(C#N)=C(O)[C@H]3CC(=O)N([C@@H](C)c4ccccc4)C3)n2)cc1 2331305601 YGBIIAKTPUARBR-PXNSSMCTSA-N 459.571 5.611 50 10 JKGE COc1cc(OC)c(-c2csc(C(C#N)=C(O)c3ccc(OCC(C)C)cc3)n2)cc1Cl 2331381102 JMWQOFDVRNXJSS-UHFFFAOYSA-N 470.978 6.465 50 10 JKGE COc1ccc(-c2csc(C(C#N)=C(O)C=Cc3ccccc3Cl)n2)c(OC)c1OC 2331412609 ONDDTXCAXCKENF-UHFFFAOYSA-N 454.935 5.995 50 10 JKGE N#CC(=Cc1cccc(OCc2ccccc2)c1)c1nc(-c2ccc(-c3ccccc3)cc2)cs1 2331414700 ZTYYXUVSWIENHC-UHFFFAOYSA-N 470.597 8.120 50 10 JKGE CCCCCOc1ccc(C=C(C#N)c2nc(-c3ccc(Cl)cc3Cl)cs2)cc1OCC 2331421776 QLAPDRQJZOIYOY-UHFFFAOYSA-N 487.452 8.149 50 10 JKGE CCCCCOc1ccc(C=C(C#N)c2nc(-c3ccc(F)c(C)c3)cs2)cc1OCC 2331447360 KKMFPVRJLCCLPO-UHFFFAOYSA-N 450.579 7.290 50 10 JKGE CCCOc1ccc(C=C(C#N)c2nc(-c3cc(Cl)ccc3OC)cs2)cc1OCC 2331491790 MQFGQEXWQGEOKL-UHFFFAOYSA-N 454.979 6.724 50 10 JKGE COC(=O)c1c(NC(=O)c2cc(C(F)(F)F)cc(C(F)(F)F)c2)sc(C(C)=CC#N)c1C 2331558973 ZHNJBUUTLAIZFF-UHFFFAOYSA-N 476.398 6.060 50 10 JKGE CC12CC([C@@H](Br)c3cc(Br)ccc3OCc3ccccc3)(C1)C(C)(C)O2 2336071411 CJJDSYKFKILBDY-KPQWGBOZSA-N 480.240 6.812 50 10 JKGE CC[C@@H]1OCC[C@@H]1[C@H](Br)c1c(Cl)cc(Br)c(F)c1Br 2337114605 RXVMSHLUZOBNLC-IHBFAXJASA-N 479.409 6.255 50 10 JKGE ClC[C@H](Cc1ccc(Cl)c(I)c1)c1cccc(Br)c1 2337226374 XWYBQRVDBLRNBA-LBPRGKRZSA-N 469.975 6.272 50 10 JKGE CCC[C@@H]1C[C@H]1[C@@H](Br)c1c(C)cc(Br)c(OC)c1Br 2339659061 OLXFGSDFIGKFTP-GIPNMCIBSA-N 455.028 6.401 50 10 JKGE CCC1(CC)[C@H](Br)C[C@H]1OCc1ccc(Cl)cc1I 2340099629 ALPWOMVGCITEDZ-ZIAGYGMSSA-N 457.577 5.803 50 10 JKGE BrCc1cc(Br)cc(Br)c1O[C@H](CC1CC1)C1CC1 2343839429 GWJCDCXABLFEMB-CQSZACIVSA-N 453.012 6.064 50 10 JKGE Cc1cc(Br)c(C(C)C)cc1[C@@H](Br)c1cscc1OCc1ccccc1 2352804323 KIOUAAXOIMILCG-JOCHJYFZSA-N 494.292 8.006 50 10 JKGE Fc1c(Br)cc(Cl)c([C@H](Br)C[C@H]2CCCC23CC3)c1Br 2362231245 DNRCBFWDPSEILA-RKDXNWHRSA-N 489.448 7.411 50 10 JKGE Cl[C@H]1C[C@H](Oc2cc(Br)cc(I)c2)C12CCCCCC2 2364105351 DTYLVJZDHYIWSK-GJZGRUSLSA-N 469.588 6.153 50 10 JKGE CCOc1cc(C=NNC(=O)c2cc3c(ccc4ccccc43)o2)ccc1OCc1cccc(Cl)c1 8437782 HGNRNPRQBHRQDI-UHFFFAOYSA-N 498.966 6.981 50 10 JKGE CC[C@H](C)c1ccccc1O[C@@H](C)C(=O)NNC(=O)CCCOc1ccc(Cl)cc1Cl 9872560 DHZWNECQDPXIHZ-HOTGVXAUSA-N 467.393 5.281 50 10 JKGE Cc1c(C(=O)NNC(=O)CCc2nc(-c3ccccc3)c(-c3ccccc3)o2)oc2ccccc12 10124716 VCYJRWCGROXIBC-UHFFFAOYSA-N 465.509 5.457 50 10 JKGE N#CC1=C(S)N[C@](O)(c2ccccc2)[C@@H]([n+]2cccc3cc(Cl)ccc32)[C@H]1c1ccsc1 21946878 MVVRSFFRAZNNJG-LSQMVHIFSA-O 477.034 5.281 50 10 JKGE N#C/C(=C\c1ccc(-c2c(Cl)cccc2Cl)o1)c1nc(-c2ccc(Cl)cc2)cs1 28357121 CEQNRQJYOVBBOW-GXDHUFHOSA-N 457.769 8.094 50 10 JKGE O=C(CSc1nc2ccccc2[nH]1)N/N=C/c1cccc(OCc2c(F)cccc2Cl)c1 32520539 JTNLMBOAYVPNPR-RPPGKUMJSA-N 468.941 5.177 50 10 JKGE CCCOc1ccccc1/C=C(/C#N)C(=O)Nc1ncc(Cc2ccc(Cl)cc2Cl)s1 33855743 NOELJHMSHAOSEQ-YVLHZVERSA-N 472.397 6.375 50 10 JKGE N#C/C(=C\c1ccccc1OCC(=O)Nc1ccccc1)c1nc(O)c2cc(Cl)ccc2n1 35519815 YFGLHMNLHXTXME-SFQUDFHCSA-N 456.889 5.070 50 10 JKGE CCOCCCN1C(=O)C(C#N)=C(C)/C(=C\c2ccc(-c3cccc(Cl)c3Cl)o2)C1=O 38606553 BHGKEAQGJLTRLU-SFQUDFHCSA-N 459.329 5.272 50 10 JKGE Cc1cc(OCC(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@H]3c2ccc(Cl)cc2)cc(C)c1Cl 38651386 HBCMGLHCTPMQCM-DEOSSOPVSA-N 495.362 5.813 50 10 JKGE Cc1ccccc1OCC(=O)Oc1ccc2c(c1)OC(N)=C(C#N)[C@H]2c1cccc2ccccc12 38657708 BBRKACUMHGGAON-NDEPHWFRSA-N 462.505 5.351 50 10 JKGE Cc1cc2oc(C(=O)Oc3ccc4c(c3)OC(N)=C(C#N)[C@@H]4c3ccc(F)cc3)c(C)c2cc1Cl 38688081 SZRZPZSJQCMOSE-XMMPIXPASA-N 488.902 6.280 50 10 JKGE COc1cc(/C=C(\C#N)c2ccc(Cl)cc2)ccc1OC(=O)/C=C/c1ccc(C(C)C)cc1 40847928 KMRLHCSXSMYTDR-UQXXQOHESA-N 457.957 7.155 50 10 JKGE COc1cc(/C=C(\C#N)c2ccc(Cl)cc2)ccc1OC(=O)COc1cc(C)c(Cl)c(C)c1 40850992 OIMSEHTXVFMGBL-UDWIEESQSA-N 482.363 6.667 50 10 JKGE COc1ccc2ccccc2c1/C=N/NC(=O)CCCOc1ccc(C(C)(C)C)cc1Br 40959245 JOVRCXFWQOSUKT-OGLMXYFKSA-N 497.433 6.218 50 10 JKGE Cc1ccc(C(=O)Oc2ccc3ccccc3c2/C=N/NC(=O)c2ccc(C(C)(C)C)cc2)cc1 48573379 VLVGQAPVMBHJME-ZCTHSVRISA-N 464.565 6.429 50 10 JKGE O=C(CC[C@@H](O)c1ccccc1)N/N=C\c1ccc(OCc2ccc(Cl)c(Cl)c2)cc1 58887915 GXPMISGOBIURCR-RWCDGHBOSA-N 457.357 5.536 50 10 JKGE COc1cccc(/C=C(/C#N)C(=O)Nc2cccc3ccccc23)c1OCc1cccc(Cl)c1 59255734 QCVVPYXQJXDBHF-JWGURIENSA-N 468.940 6.626 50 10 JKGE C=CCc1cc(/C=N/NC(=O)c2cc3ccccc3o2)cc(OCC)c1OCc1ccc2c(c1)OCO2 59304748 CWYLATAIJOWULR-OKCVXOCRSA-N 498.535 5.632 50 10 JKGE CCOc1ccc(OCc2ccc(C(=O)N/N=C(/C)c3ccc(Cl)cc3Cl)cc2)cc1 89991172 ZWYIFLOOQBHYLJ-YUMHPJSZSA-N 457.357 6.125 50 10 JKGE O=[N+]([O-])c1cc(Br)c(OCC2(CBr)CCCCC2)c(Br)c1 96870170 NKWBKJPRUXNVRK-UHFFFAOYSA-N 485.998 5.844 50 10 JKGE COc1ccc(Br)cc1/C=N/NC(=O)c1ccc(NC(=O)c2cccc(Cl)c2)cc1 97729892 ALCQFJGGFLBNHU-DHRITJCHSA-N 486.753 5.127 50 10 JKGE CCCCCCCOc1ccc(C(=O)NNC(=O)[C@H](C)Oc2ccc(Cl)cc2Cl)cc1 100153663 GOSQITHGFOSBRE-INIZCTEOSA-N 467.393 5.571 50 10 JKGE CC1=C(C#N)C(=O)N(C2CCCC2)C(=O)/C1=C/c1cn(-c2ccccc2)nc1-c1cc2ccccc2o1 101338632 WSSUALZIDIQJEJ-BUVRLJJBSA-N 488.547 5.820 50 10 JKGE N#C/C(=C/c1ccc([N+](=O)[O-])cc1)c1nc(-c2cc3cc(Br)ccc3oc2=O)cs1 103311494 KEUCAJUUVKPPEV-AUWJEWJLSA-N 480.299 5.651 50 10 JKGE Cc1cc(C)c(N/C(SCc2ccccc2F)=C(\C#N)S(=O)(=O)c2ccccc2)c(C)c1 104689475 MKJFRKUVVORHRE-BZZOAKBMSA-N 466.603 6.263 50 10 JKGE CCCOc1cccc([C@H](Br)c2cc(Br)ccc2Br)c1 109844838 OQGPBQCHBCYNAH-INIZCTEOSA-N 463.007 6.485 50 10 JKGE BrCc1cccc(Br)c1OCCOc1ccc(Br)cc1 110378521 BBVIUNNQONKECY-UHFFFAOYSA-N 464.979 5.564 50 10 JKGE COc1ccc(Br)cc1C[C@@H](CBr)c1ccccc1Br 118867760 HKBQLBOCANVBTE-LBPRGKRZSA-N 463.007 5.941 50 10 JKGE Cc1cc(Br)c([C@H](Br)c2cc(Cl)ccc2Cl)cc1Br 128764439 VCFIBTDGIPRROD-AWEZNQCLSA-N 487.844 7.311 50 10 JKGE CCc1ccsc1[C@H](Br)c1cc(Br)c(C)cc1Br 128802133 ATUZKSCMPYNDKQ-CYBMUJFWSA-N 453.037 6.628 50 10 JKGE Cc1sc(Br)cc1[C@H](Cl)c1cc(Br)c(Br)s1 128878065 JOYHBWHAPJPPPC-VIFPVBQESA-N 465.457 6.734 50 10 JKGE COc1cc(/C=C(/C#N)c2ccccc2)ccc1OC(=O)COc1ccc(-c2ccccc2)cc1 141406553 DOJVFAILHCPYKF-ITYLOYPMSA-N 461.517 6.411 50 10 JKGE O=C(N/N=C/c1cccc(Br)c1)c1ccc2[nH]c(-c3ccccc3Cl)nc2c1 169926801 CRELCVLKXUWQQO-WYMPLXKRSA-N 453.727 5.410 50 10 JKGE N#CC1=C(N)Oc2cc(OC(=O)/C=C\c3ccccc3)ccc2[C@H]1c1cccc(Oc2ccccc2)c1 205651935 RWFWKEJLCMUXNT-JDQPZIKVSA-N 486.527 6.316 50 10 JKGE CCCCCCOc1ccc(/C=C(/C#N)C(=O)Nc2ccc(OCc3ccccc3)cc2)cc1OC 206234160 OEDXDUMAYLJZRR-PLRJNAJWSA-N 484.596 6.779 50 10 JKGE CCCCN1C(=O)C(C#N)=C(C)/C(=C/c2ccc(OCc3ccc(C)cc3)c(OCC)c2)C1=O 214230788 JXTZTGBMIIUBGP-HAHDFKILSA-N 458.558 5.365 50 10 JKGE CCOc1ccc(-c2nn(-c3ccccc3)cc2/C=C2\C(=O)N([C@H](C)CC)C(=O)C(C#N)=C2C)cc1 214253570 TYYKIRDQZFBOLM-UFAQQFSPSA-N 480.568 5.329 50 10 JKGE N#C/C(=C/NC1CCN(Cc2ccccc2)CC1)C(=O)Nc1ccccc1Sc1ccccc1 217243961 VNKRMXWGBQAYMY-ATJXCDBQSA-N 468.626 5.438 50 10 JKGE COc1ccc([C@H](Br)c2ccc(I)c(Cl)c2)c(F)c1 232343608 SQZFDFBIRLOFHH-CQSZACIVSA-N 455.492 5.577 50 10 JKGE Cc1cc(Cl)c([C@H](Cl)c2cc(Br)ccc2I)cc1C 235845293 XSCNGJJNNQPAAL-HNNXBMFYSA-N 469.975 6.652 50 10 JKGE Fc1ccc([C@@H](Br)c2cc(I)ccc2Br)cc1F 236176996 LRPYVBDUIBGZBU-CYBMUJFWSA-N 487.907 5.816 50 10 JKGE Fc1ccc([C@H](Br)Cc2nc3ccccc3s2)c(I)c1 236219978 FYTWECNDQSYSOR-LLVKDONJSA-N 462.125 5.719 50 10 JKGE Cc1cc(C=NNC(=O)COc2ccc3ccccc3n2)c(C)n1-c1ccc(-c2ccccc2)cc1 254490048 DADGHQUDKREMPQ-UHFFFAOYSA-N 474.564 5.838 50 10 JKGE CC(C)[C@@H]1CC[C@@]2(C)CC[C@]3(C)[C@H](CC[C@@H]4[C@]3(C)CC[C@@H]3C(C)(C)C(=O)OC(=O)C[C@@]34C)[C@@H]12 254518851 FGIQVZRHSAAMRL-NMNPZSTASA-N 456.711 7.424 50 10 JKGE CCC(=NNC(=O)CSc1nnc(SCc2cccc3ccccc23)s1)c1ccc(O)cc1 254849937 UQCUHKSOAROSAE-UHFFFAOYSA-N 494.667 5.712 50 10 JKGE CC(=NNC(=O)CSc1nnc(-c2ccc(C(C)(C)C)cc2)n1-c1ccccc1)c1cccnc1 254853402 QMRKEUQLAZMUOF-UHFFFAOYSA-N 484.629 5.259 50 10 JKGE CCCCCCOc1ccc(C=NNC(=O)CSc2nnc(-c3ccccc3)s2)cc1OCC 256028278 CICRNHSTMAFRIX-UHFFFAOYSA-N 498.674 5.805 50 10 JKGE CCCC(=NNC(=O)c1cc(-c2ccc(C(C)C)cc2)nc2ccccc12)c1ccc(C)s1 263632802 VWPOVJLHPZJBGL-UHFFFAOYSA-N 455.627 7.329 50 10 JKGE BrCC(CBr)(CCC1CCCCC1)c1cccc(Br)c1 312212777 BJXHAKWEUHCYRY-UHFFFAOYSA-N 467.083 6.837 50 10 JKGE Clc1ccc([C@@H](Br)c2cc(I)cc3c2OCC3)cc1Cl 312338561 KHVSMBGQBHFMRE-CQSZACIVSA-N 483.958 6.017 50 10 JKGE Fc1cccc(Br)c1[C@@H](Cl)c1scc(C(F)(F)F)c1Br 380353566 LQHCKKKKNONVCH-SNVBAGLBSA-N 452.492 6.759 50 10 JKGE Clc1ccc(Br)cc1[C@H]1CN(Cc2ccccc2)C[C@H]1CI 382689245 LMGOMAMWSLSKCJ-PBHICJAKSA-N 490.610 5.753 50 10 JKGE Brc1ccc(Br)c([C@H](Br)c2ccc3sccc3c2)c1 386190206 BOSLYXBPHKKTJY-OAHLLOKOSA-N 461.016 6.911 50 10 JKGE Cc1cc(Br)c([C@@H](Br)[C@@H]2CCCCC2(F)F)cc1Br 392933526 QKDZPYJGYFUSBG-GXFFZTMASA-N 460.982 6.782 50 10 JKGE Fc1cc(Br)c([C@@H](Cl)c2ccc(Br)cc2Br)c(F)c1F 398486663 WZFWHGCBBHVTHK-NSHDSACASA-N 493.342 6.720 50 10 JKGE Fc1cc2c(cc1I)nc(CCl)n2C1[C@H]2C[C@H]1CN(Cc1ccccc1)C2 399637314 FQZDVOBAZXTBAA-GJZGRUSLSA-N 495.767 5.212 50 10 JKGE CC(CBr)(CBr)Cc1cc(Cl)ccc1I 405357716 ZMOKQQHSCBCYPF-UHFFFAOYSA-N 466.382 5.283 50 10 JKGE Brc1cc2c(c([C@H](Br)c3csc(Br)c3)c1)OCCC2 688370846 IRYDKOFSHBZIFS-CYBMUJFWSA-N 467.020 6.082 50 10 JKGE Brc1cc([C@H](Br)c2ccsc2Br)c(Br)s1 698673095 SYNBEFAOHJIXFY-SSDOTTSWSA-N 495.881 6.581 50 10 JKGE Brc1csc([C@H](Br)c2ccc3c(c2)CCCO3)c1Br 705461650 BWGMLIQQENHLKQ-GFCCVEGCSA-N 467.020 6.082 50 10 JKGE Cc1cc([C@H](Br)c2sc(C)c(Br)c2C)ccc1Br 724926976 CJPRGAOUOBDNSN-ZDUSSCGKSA-N 453.037 6.683 50 10 JKGE COc1cc(C=NNC(=O)CSc2ccc(Cl)cc2)ccc1OCc1cccc2ccccc12 1083871582 AMCSGFUORNLQQH-UHFFFAOYSA-N 491.012 6.323 50 10 JKGE Cc1ccc(C)n1-c1ccc(C(=O)NN=Cc2cccn2-c2ccc(Br)cc2)cc1 1084025952 OVRKXCAFHUYJGD-UHFFFAOYSA-N 461.363 5.411 50 10 JKGE CC(C)(C)c1cc(C=NNC(=O)CSc2ncc(Cl)cc2Cl)cc(C(C)(C)C)c1O 1084087139 MKJKPPMICVCXSC-UHFFFAOYSA-N 468.450 5.931 50 10 JKGE C#CCOc1c(Br)cc(/C=C(\C#N)C(=O)Nc2cccc(Cl)c2Cl)cc1OCC 1084267785 MTSWXZNXZJIZKD-NTEUORMPSA-N 494.172 5.712 50 10 JKGE CCCCOC(=O)NN=Cc1ccc(Sc2nc3ccc(OCC)cc3s2)c([N+](=O)[O-])c1 1084445440 AURYWGXWBLYTTO-UHFFFAOYSA-N 474.564 5.615 50 10 JKGE Fc1ccc([C@@H]2CN(Cc3ccccc3)C[C@H]2CI)cc1C(F)(F)F 1614626658 UWBHYAIXOISUOB-CVEARBPZSA-N 463.256 5.495 50 10 JKGE COc1ccccc1/C(C#N)=C/c1cccc(OC(=O)/C=C/c2ccc(OCc3ccccc3)cc2)c1 1615067293 YZIHCHQKVOYEBF-JOXASEOTSA-N 487.555 6.957 50 10 JKGE Cc1cccc(C(=O)NN=C2CCCc3oc(C(=O)Oc4cccc5ccccc45)c(C)c32)c1 1772745299 XRWTYJPZYWPLJL-UHFFFAOYSA-N 452.510 5.739 50 10 JKGE N#CSc1ccc(NC(=O)Nc2ncccc2OCC(=O)Nc2cccc3ccccc23)cc1 1858830739 BMIMWNULUBJFLG-UHFFFAOYSA-N 469.526 5.469 50 10 JKGE N#CC1=C(N)Oc2c(c(C(F)(F)F)nn2Cc2cccc(Cl)c2)[C@H]1c1c(F)cccc1Cl 1865685247 GZDUCDHXQSKDBW-OAHLLOKOSA-N 483.252 5.614 50 10 JKGE N#CC1=C(N)Oc2c(c(C(F)(F)F)nn2-c2ccc(Br)cc2)[C@H]1c1ccccc1Cl 1865685410 IVMXEZYHTWWVRL-HNNXBMFYSA-N 495.686 5.525 50 10 JKGE CCn1nc(-c2ccccc2)c2c1OC(N)=C(C#N)[C@H]2c1ccc(OCCc2ccccc2)c(OC)c1 1865688374 QPIBGBOCXVYEJA-AREMUKBSSA-N 492.579 5.418 50 10 JKGE CCOc1ccc([C@H]2C(C#N)=C(N)Oc3c2c(-c2ccccc2)nn3-c2ccc(C)cc2)cc1OCC 1865689999 YSRVUFWUDAPLHF-SANMLTNESA-N 492.579 5.863 50 10 JKGE CCN(CC)c1ccc([C@H]2C(C#N)=C(N)Oc3c2c(C(F)(F)F)nn3Cc2ccc(F)cc2)cc1 1865702638 YAURRPJQVWJERN-FQEVSTJZSA-N 485.485 5.154 50 10 JKGE COc1ccc([C@H]2C(C#N)=C(N)Oc3c2c(C(F)(F)F)nn3Cc2ccc(Cl)c(Cl)c2)cc1 1865713232 UPZFVMNRDYLQKJ-KRWDZBQOSA-N 495.288 5.484 50 10 JKGE CC(C)c1ccc([C@H](CC(=O)NC(C)(C)C(=O)Nc2ccc(SC#N)cc2)C(C)C)cc1 1866739643 HGBACXWFECDYJJ-HSZRJFAPSA-N 451.636 6.046 50 10 JKGE N#C/C(=C\c1cc(Br)ccc1OCc1ccc(Cl)c(Cl)c1)c1ccccn1 1872730944 NDQIUSMUSTYMIY-MHWRWJLKSA-N 460.158 6.794 50 10 JKGE COc1cccc(-c2csc(/C(C#N)=C(O)/C=C/c3cc(OC)c(OC)c(OC)c3)n2)c1 1872744165 ILAURDLDONQKHO-KZIZKXKBSA-N 450.516 5.351 50 10 JKGE CCCCOc1ccc(/C(O)=C(\C#N)c2nc(-c3ccc(OC)c(C)c3)cs2)cc1OCC 1872746364 DRLAFCXDFNCKTM-QQTULTPQSA-N 464.587 6.655 50 10 JKGE CC(C)[C@@H](/C(O)=C(\C#N)c1nc(-c2cccc(Cl)c2)cs1)N1C(=O)c2ccccc2C1=O 1872747969 AXQTZDRAQLLIQD-HUZQBFDWSA-N 463.946 5.577 50 10 JKGE Cc1ccc(-c2csc(/C(C#N)=C(\O)[C@H](CC(C)C)N3C(=O)c4ccccc4C3=O)n2)cc1 1872749492 UAKGBPSSPMYQHZ-MBDQKHHZSA-N 457.555 5.622 50 10 JKGE N#C/C(=C(/O)CCCOc1ccccc1)c1nc(-c2ccc(Oc3ccccc3)cc2)cs1 1872753604 FYYFXLVIUIEUAS-LCUIJRPUSA-N 454.551 7.254 50 10 JKGE N#C/C(=C(/O)CCN1C(=O)c2ccccc2C1=O)c1nc(-c2ccc(Oc3ccccc3)cc2)cs1 1872754023 YTVJMMBPLBTPFP-BZZOAKBMSA-N 493.544 6.081 50 10 JKGE COc1ccc(Cl)cc1-c1csc(/C(C#N)=C(O)/C(=C\c2ccccc2)c2ccccc2)n1 1872758483 CGODISDWKKCDAK-RQBVCSNNSA-N 470.981 7.506 50 10 JKGE COc1cc(Cl)c(C)cc1-c1csc(/C(C#N)=C/c2ccc(OCc3ccccc3)cc2)n1 1872794120 LCOWPKSUAMIBEZ-FYJGNVAPSA-N 472.997 7.424 50 10 JKGE CCC[C@H]1CC[C@H]([C@H](Br)c2cc(Br)ccc2Br)CC1 1878056595 AIJDJEMAXLSQBC-MKBNYLNASA-N 453.056 7.254 50 10 JKGE O=C(N[C@H](CBr)[C@@H]1CC=CCC1)c1cc(Br)sc1Br 1885069808 KLTKLAXSNGGPTC-PSASIEDQSA-N 472.040 5.123 50 10 JKGE FC(F)(F)[C@@H]1C[C@H]1C[C@H](Br)c1cc(Br)c(Br)s1 1908750973 UJKMBGOPJNPXHR-JKUQZMGJSA-N 456.947 6.298 50 10 JKGE C[C@H]1C[C@@H](n2c(CCCl)nc3c(Br)cc(F)cc32)CN1Cc1ccccc1 1912653597 MTLMZKTYVYIEEA-WMLDXEAASA-N 450.783 5.555 50 10 JKGE BrCC1(N(Cc2ccccc2)c2ccc(I)cn2)CCC1 1915766243 XDTOSRQDBNZNBZ-UHFFFAOYSA-N 457.153 5.010 50 10 JKGE Cl[C@@H](c1sc(Br)cc1Br)c1sccc1I 1922919956 BCOHUJGQYXOFMZ-ZETCQYMHSA-N 498.430 6.267 50 10 JKGE CC1([C@@H](Cl)c2c(Br)sc(Br)c2Br)CC(F)C1 1924569385 UOTFFOCQDJEXES-JGPKUNILSA-N 455.412 6.454 50 10 JKGE Clc1ccc([C@H](Br)c2c(Cl)sc(Br)c2Cl)c(Cl)c1 1925589633 UQYGVVOSIDBSLQ-QMMMGPOBSA-N 469.840 7.609 50 10 JKGE Brc1ccc([C@H](Br)c2csc(Br)c2Br)s1 1930627859 KZSUUCKCSCWJCU-SSDOTTSWSA-N 495.881 6.581 50 10 JKGE Cc1c(Br)sc([C@H](Br)[C@@H]2CC[C@@H]3[C@H]2C3(F)F)c1Br 2040541406 KVXPCXVIFPYANX-JAGXHNFQSA-N 464.995 6.309 50 10 JKGE ClCc1cc(Br)c(OCc2cnsc2Br)c(Br)c1 2055664588 WFQWMHAAXLMNRN-UHFFFAOYSA-N 476.415 5.748 50 10 JKGE Cl[C@H](c1c(Br)sc(Br)c1Br)C1C[C@@H]2CCC[C@H]2C1 2063519173 BLAXPQVKJWVJEX-HFJPGXAFSA-N 477.487 7.142 50 10 JKGE Cc1cc(C)c(Cn2nc(CBr)c(I)c2C(F)(F)F)cc1C 2079245361 CNLDMVVEMDLWAH-UHFFFAOYSA-N 487.101 5.375 50 10 JKGE BrC[C@@]1(Cc2cccc(Br)c2Br)CCC=CCCC1 2092334423 HIUNMRMTHQYCSY-INIZCTEOSA-N 451.040 6.656 50 10 JKGE Fc1cc(Cl)c(Br)cc1[C@H](Br)Cc1ccc(Br)cc1 2097835303 RDKDXHSSTOEQAI-LLVKDONJSA-N 471.389 6.683 50 10 JKGE C[C@@]1(C(F)(F)F)C[C@]1(CBr)Cc1cc(Cl)ccc1I 2105504523 IDHUJWUNKUVXTI-NEPJUHHUSA-N 467.494 5.841 50 10 JKGE CCCC(CBr)(CCC)CN1CCC12CCN(C(=O)OCc1ccccc1)CC2 2106783519 ARDDQBUIKFKZHF-UHFFFAOYSA-N 465.476 5.845 50 10 JKGE Brc1csc([C@H](Br)c2cc(Br)cc3c2OCCC3)c1 2115939568 FSLSBDWKKQLNTD-CYBMUJFWSA-N 467.020 6.082 50 10 JKGE BrC[C@]1(Cc2cc(Br)ccc2Br)CCCCC12CC2 2118530142 WYTDQJDXWKMRAS-MRXNPFEDSA-N 451.040 6.490 50 10 JKGE FC(F)(F)[C@H]1CN(Cc2ccccc2)CCN1c1ccc(CBr)cc1Br 2130159550 LSFADLTYXCINIS-GOSISDBHSA-N 492.177 5.597 50 10 JKGE CO[C@@H]1C[C@@H]([C@H](Br)c2sc(Br)c(C)c2Br)C12CCC2 2133847720 RFCOAJHGWDICLO-NGZCFLSTSA-N 473.068 6.223 50 10 JKGE Cc1cc(Br)c(C)c([C@@H](Br)[C@@H]2C[C@H]3CC[C@H]2O3)c1Br 2136384705 SPFBUWXGXWFFGJ-NOBRSGAKSA-N 453.012 5.832 50 10 JKGE Cc1cc(F)c(Cl)cc1[C@@H](Br)Cc1ccccc1I 2137049606 UGYVALQYMHFRHP-LBPRGKRZSA-N 453.520 6.071 50 10 JKGE Cc1c(Br)ccc([C@H](Br)C(C)(C)C2CCCC2)c1Br 2138862330 JLCTXJPEAVYLDH-HNNXBMFYSA-N 453.056 7.172 50 10 JKGE Cc1oc(Br)cc1[C@@H](Br)c1cc(Br)c2c(c1)C[C@@H](C)O2 2146625425 AHIIXKMGEDPPQG-UOWDBTKRSA-N 464.979 5.921 50 10 JKGE FC(F)(F)c1ccc([C@@H](Cl)c2cc(Br)sc2Br)cc1Cl 2146764314 YEGSTVVLASKSPI-SNVBAGLBSA-N 468.947 7.274 50 10 JKGE Oc1nc2cc([C@@H](Br)c3cc(Cl)c(Cl)s3)c(Br)cc2[nH]1 2156052516 VXMFKVHZZXPXJW-SNVBAGLBSA-N 456.974 5.884 50 10 JKGE Cc1cccc(C(CBr)(CBr)Cc2snc(Cl)c2Cl)c1 2167230515 BTTWHGXCEQXKLA-UHFFFAOYSA-N 458.046 6.029 50 10 JKGE ClCCc1nc2cc(Cl)c(Br)cc2n1[C@@]12C[C@@H]1CN(Cc1ccccc1)C2 2169008703 GMAHGUFJICJALY-QVKFZJNVSA-N 465.222 5.465 50 10 JKGE CN(Cc1cnn(C)c1Br)c1c(CBr)ccc(Br)c1Cl 2173264489 LWVJJZNNBHNKQB-UHFFFAOYSA-N 486.433 5.130 50 10 JKGE F[C@H](C(F)(F)F)C(F)(F)Oc1c(Br)cc(Br)cc1CCl 2175184660 WIZAPZMVSPFRAW-MRVPVSSYSA-N 450.398 5.822 50 10 JKGE O=C(NC[C@]1(F)CC[C@H](CBr)CC1)c1scc(Br)c1Br 2178586108 NSNAYVABFZIVDZ-XCSCGOTBSA-N 492.046 5.296 50 10 JKGE C[C@@H](N(Cc1ccccc1)S(=O)(=O)c1cc(Cl)cc(CBr)c1F)C(C)(C)C 2179859415 DDLWUQZCESNNSO-CQSZACIVSA-N 476.839 6.000 50 10 JKGE BrCC1(Cc2ccc(Br)cc2Br)CC2(C1)CC21CCC1 2183920902 VUBQVTRZGVSDGR-UHFFFAOYSA-N 463.051 6.490 50 10 JKGE C[C@@H]1C[C@H](n2c(CCl)nc3cc(I)c(F)cc32)CN(Cc2ccccc2)C1 2184261264 VLSZJSHELHTCNL-ZBFHGGJFSA-N 497.783 5.602 50 10 JKGE CCOc1ccc([C@@H](Br)c2c(Br)c(C)nn2C)cc1Br 2192375184 OUWMYSQPPXGJSL-CYBMUJFWSA-N 466.999 5.137 50 10 JKGE FC(F)[C@H]1CN(Cc2ccccc2)C[C@@H]1n1c(CCl)nc2ccc(Br)cc21 2193245515 QSHCIYQAXHRFBU-YJBOKZPZSA-N 454.746 5.476 50 10 JKGE COc1cc(C)c([C@H](Br)c2cccc(Br)c2C)cc1Br 2198737181 MOEVYEMUSIDACX-MRXNPFEDSA-N 463.007 6.321 50 10 JKGE Cc1cc(Br)c(C)c([C@H](Br)c2ccc(F)c(Cl)c2)c1Br 2201068084 DCLPRSQVNCRSHD-OAHLLOKOSA-N 485.416 7.105 50 10 JKGE Brc1ccc([C@H](Br)[C@@H]2C[C@H]2C2CCCCCC2)c(Br)c1 2203683275 CSTJJTJQKQYYAO-UXLLHSPISA-N 465.067 7.254 50 10 JKGE Cc1ccc(I)c([C@H](Br)c2ccc(Br)cc2)c1 2217421216 RXSFBJIDEVGTAR-CQSZACIVSA-N 465.954 5.846 50 10 JKGE Clc1cc(Br)c([C@@H](Cl)c2ncsc2Br)c(Cl)c1Cl 2217611636 VUQYPBVWAAIWEC-MRVPVSSYSA-N 470.828 6.957 50 10 JKGE CCOCc1cc(Br)c([C@H](Br)c2csnc2Br)s1 2217979668 UKHVXQBLQQUYRL-SECBINFHSA-N 476.053 5.750 50 10 JKGE Fc1cc(Br)c(Br)cc1[C@@H](Br)C1(C(F)(F)F)CC1 2218606458 RFCTZDOCMRUWCR-SECBINFHSA-N 454.881 6.129 50 10 JKGE BrC[C@H](Cc1cccc(Br)c1)Cc1cscc1Br 2219913926 XAGCERFEEFSZPV-LLVKDONJSA-N 453.037 6.069 50 10 JKGE Clc1cc(Br)c(OCc2cscc2Br)c(CBr)c1 2219922509 GFJLGUQTXLPLAR-UHFFFAOYSA-N 475.427 6.400 50 10 JKGE Cc1cc(Br)c([C@H](Br)[C@@H]2C[C@]23CC3(F)F)c(C)c1Br 2227354486 WUDMWSMQRWIVJH-CKLFPEKLSA-N 458.966 6.310 50 10 JKGE Cc1ccc([C@H](C)[C@@H](Br)c2c(Br)sc(Br)c2Cl)cc1 2232088204 PWCKEWLSONSWGB-GZMMTYOYSA-N 487.482 7.475 50 10 JKGE COc1ccc([C@@H](Cl)c2sc(Br)c(C)c2Br)c(Br)c1 2232092741 XUMMGXKJFFOPKL-LLVKDONJSA-N 489.454 6.681 50 10 JKGE CCCc1ccccc1[C@@H](Br)c1cc(Br)c(Br)cc1F 2233992988 UVVVWTYAUYRDTH-MRXNPFEDSA-N 464.998 6.788 50 10 JKGE Cc1sc([C@H](Cl)c2scc(C(F)(F)F)c2Br)c(C)c1Br 2234472548 YPGYWUXKAVEJNX-VIFPVBQESA-N 468.585 7.298 50 10 JKGE Cc1cc(Br)c([C@H](Br)CC(F)(F)C(F)(F)F)c(C)c1Br 2235609022 AQXIPJBHXQBZFB-MRVPVSSYSA-N 488.914 6.852 50 10 JKGE CC[C@@H](Cl)CN(Cc1ccccc1)C(=O)c1ccc(Cl)c(I)c1 2243592584 DVFNUMZRHMTFAX-OAHLLOKOSA-N 462.158 5.604 50 10 JKGE Cc1cc(Br)c([C@H](Cl)c2csc(I)c2)c(C)c1F 2253511312 DBMBVTUZBYQPHS-GFCCVEGCSA-N 459.549 6.199 50 10 JKGE CN(Cc1ccccc1I)c1cc(Br)ccc1CBr 2265542057 ATUXGKDAXWKTDL-UHFFFAOYSA-N 494.996 5.585 50 10 JKGE Cc1cc(Br)c([C@@H](Br)c2ccc(F)cc2Br)c(C)c1F 2279156769 ONKSUAOHVDEDRV-AWEZNQCLSA-N 468.961 6.591 50 10 JKGE Cc1cc([C@H](Cl)Cc2cc(Br)cc(Br)c2)cc(C)c1Br 2295339928 OVEVRRZXXJXPJC-OAHLLOKOSA-N 481.453 7.114 50 10 JKGE Brc1ccc(OCc2ccccc2)c([C@H](Br)[C@@H]2C[C@H]3CC[C@@H]2C3)c1 2299493946 MMSHVMHCUOSROK-LTVCHDBBSA-N 450.214 6.900 50 10 JKGE C[C@H]1[C@H](Cc2ccc(I)c(Br)c2)CCC[C@H]1Br 2306210364 IJDVSGCUXIPFDC-ZMLRMANQSA-N 472.002 5.796 50 10 JKGE O=S1(=O)CCC[C@@H]([C@@H](Br)c2ccc(OCc3ccccc3)cc2Br)C1 2314456719 ZDIHPSLXIUICHD-DNVCBOLYSA-N 488.241 5.289 50 10 JKGE CCc1ccc(N2C(=O)[C@H](Cc3ccccc3C)SC2=C(C#N)C(=O)Nc2ccccc2OC)cc1 2314591840 GAIAQFGUXQSXNI-SANMLTNESA-N 497.620 5.631 50 10 JKGE Cc1ccc(NC(=O)C(C#N)=C2S[C@@H](Cc3ccc(F)cc3)C(=O)N2c2ccc(C(C)C)cc2)cc1 2314592641 ZGCJICULIDFELI-SANMLTNESA-N 499.611 6.323 50 10 JKGE CCCCNC(=O)C(C#N)=Cc1ccc(OC(=O)CCCOc2ccc(C(C)(C)C)cc2)c(OC)c1 2314785793 NPAJWLFBUQGNHY-UHFFFAOYSA-N 492.616 5.581 50 10 JKGE FC1(F)CCC[C@H](Cc2ccc(I)c(Br)c2)[C@H]1Br 2325209054 KYOQUNNBZSCGKS-BXKDBHETSA-N 493.955 5.795 50 10 JKGE CCOc1ccc(C=C(C(O)=C(C#N)c2nc(-c3cccc([N+](=O)[O-])c3)cs2)c2ccccc2)cc1 2331232872 SNEBUMMYHHTICN-UHFFFAOYSA-N 495.560 7.150 50 10 JKGE CC[C@H](C)[C@H](C(O)=C(C#N)c1nc(-c2ccc(Cl)cc2)cs1)N1C(=O)c2ccccc2C1=O 2331300626 XYUSBCAUZLEKQR-LHSJRXKWSA-N 477.973 5.967 50 10 JKGE CCCCc1ccc(N2C[C@@H](C(O)=C(C#N)c3nc(-c4cc(C)ccc4C)cs3)CC2=O)cc1 2331319646 UFIBGPXRSBVHAI-NRFANRHFSA-N 471.626 6.615 50 10 JKGE CCOc1ccc(C=C(C(O)=C(C#N)c2nc(-c3ccc(OC)c(F)c3)cs2)c2ccccc2)cc1 2331337065 VIRAJGBQFUNVEZ-UHFFFAOYSA-N 498.579 7.390 50 10 JKGE CC(C)c1ccc(-c2csc(C(C#N)=C(O)c3ccccc3C(=O)c3ccccc3)n2)cc1 2331340350 VOMNJUZKDSWQPO-UHFFFAOYSA-N 450.563 7.114 50 10 JKGE Cc1cc(C)c(C)c(-c2csc(C(C#N)=C(O)CCCOc3ccc(Cl)cc3)n2)c1C 2331366253 FSWLXIDMKRGKEA-UHFFFAOYSA-N 453.007 7.349 50 10 JKGE COc1cc(Cl)c(C)cc1-c1csc(C(C#N)=C(O)Cc2ccc(Cl)c(Cl)c2)n1 2331389236 HOEVQROPLFSNPN-UHFFFAOYSA-N 465.789 7.123 50 10 JKGE N#CC(=C(O)CNC(=O)c1ccc(Cl)cc1Cl)c1nc(-c2cc(Cl)ccc2Cl)cs1 2331403724 BVTOLKAPDPFCFT-UHFFFAOYSA-N 499.206 6.646 50 10 JKGE COc1ccc(Cl)cc1-c1csc(C(C#N)=C(O)[C@H](C)Oc2ccccc2C(C)C)n1 2331411176 WDSLKBURBSJODM-HNNXBMFYSA-N 454.979 6.856 50 10 JKGE COc1ccc(-c2csc(C(C#N)=C(O)c3ccc(Cl)c([N+](=O)[O-])c3)n2)c(OC)c1OC 2331412871 ORPAEKRVACWITJ-UHFFFAOYSA-N 473.894 5.347 50 10 JKGE CCCOc1c(C=C(C#N)c2nc(-c3ccc(-c4ccccc4)cc3)cs2)cccc1OC 2331414069 CJEMYBZCDPMIAG-UHFFFAOYSA-N 452.579 7.339 50 10 JKGE COc1cc(C)c(-c2csc(C(C#N)=Cc3ccc(OCc4ccc(C)cc4)cc3)n2)cc1C(C)C 2331463553 RSKBDZCEPUOMCU-UHFFFAOYSA-N 494.660 8.202 50 10 JKGE CC[C@H](c1ccccc1)[C@@H](Br)c1ccc(OCc2ccccc2)cc1Br 2336051793 VICPBEHKASXNOJ-NFBKMPQASA-N 474.236 7.658 50 10 JKGE CC1(C)CO[C@@H]([C@@H](Br)c2c(Cl)cc(Br)c(F)c2Br)C1 2337083571 BCIDGCHVGNIDQA-PSASIEDQSA-N 479.409 6.255 50 10 JKGE Cc1c(Br)sc([C@@H](Br)[C@@H]2C[C@H]3CCC[C@H]2CC3)c1Br 2338786116 ZAONBNVZHVJMQG-KQXIARHKSA-N 471.096 7.234 50 10 JKGE COc1c(Br)cc(C)c([C@@H](Br)[C@@]2(C)CC2(F)F)c1Br 2339689629 DWJCCERVYRKVBO-VXGBXAGGSA-N 462.954 6.010 50 10 JKGE COc1c(Br)cc(C)c([C@H](Br)[C@H](C)CC(C)C)c1Br 2339692142 VGDXLVWJUZQIPI-ZWNOBZJWSA-N 457.044 6.647 50 10 JKGE Clc1ccc(CO[C@H](CI)c2ccccc2)c(I)c1 2340119826 KCVGVUCVHSBXSU-OAHLLOKOSA-N 498.529 5.638 50 10 JKGE C[C@@H]1CCC[C@](CCl)(NCc2ccc(I)c(Br)c2)C1 2349846145 VSEVBJGXVHTZCY-ABAIWWIYSA-N 456.593 5.331 50 10 JKGE Cc1cc(Br)c(C(C)C)cc1[C@H](Br)c1ccsc1Br 2352806271 UTUXLMBNYCFZKO-CQSZACIVSA-N 467.064 7.189 50 10 JKGE Brc1ccc(OCc2ccccc2)c([C@H](Br)c2ccc3c(c2)CCCC3)c1 2361195715 RGDAAYWTIMTKFV-XMMPIXPASA-N 486.247 7.391 50 10 JKGE CC1(C)C[C@H](C[C@@H](Br)c2c(Cl)cc(Br)c(F)c2Br)CO1 2362227471 FWRDHNQYYYKUSS-JGVFFNPUSA-N 493.436 6.645 50 10 JKGE COc1c(Br)cc(C)c([C@H](Cl)c2cn(C)nc2Br)c1Br 2365179751 PQGOJVZHZQZNFW-LLVKDONJSA-N 487.417 5.353 50 10 JKGE COc1c(Br)cc(C)c([C@@H](Br)[C@]23C[C@](C)(CO2)C3)c1Br 2365198429 ZTJQKPPNWLTONA-KFWWJZLASA-N 469.011 5.534 50 10 JKGE COc1cc(Cl)c(CBr)c(N(C)C[C@@H]2CCCCN2Cc2ccccc2)c1 2365804153 TUTGMWLQQPGGFI-SFHVURJKSA-N 451.836 5.734 50 10 JKGE COc1cc(OCc2cc(I)ccc2Cl)ccc1CBr 2380522405 MPDAWSXTLDGSHU-UHFFFAOYSA-N 467.528 5.427 50 10 JKGE CC(C)C[C@H](CBr)CN1C[C@@H]2CC(F)(F)CC[C@@]2(NC(=O)OC(C)(C)C)C1 2382180739 IYZPLSWYIBKISU-JTDSTZFVSA-N 453.412 5.058 50 10 JKGE COc1cccc(C[C@H]2S/C(=C(\C#N)C(=O)Nc3ccccc3)N(c3ccccc3C)C2=O)c1 2193524 ZYAUVZHLDAJQPT-VECHRTTRSA-N 469.566 5.069 50 10 JKGE N#CC(C(=O)COC(=O)c1c2c(nc3ccccc13)/C(=C/c1ccco1)CC2)=C1Nc2ccccc2N1 9349138 XBVYNSPFQCBSDQ-SAPNQHFASA-N 488.503 5.313 50 10 JKGE O=C(CCCSc1nc2ccccc2s1)N/N=C/c1ccc(COc2ccc(F)cc2)o1 9695066 NNUCPKUTCMYNBT-AFUMVMLFSA-N 469.563 5.630 50 10 JKGE N#C/C(=C/c1ccccc1Cl)C(=O)Nc1ncc(Cc2ccc(Br)cc2)s1 15357221 PYCBKRBIISYLLU-GDNBJRDFSA-N 458.768 5.695 50 10 JKGE CCOc1cc(/C=C(/C#N)C(=O)Nc2ccccc2)ccc1OCCOc1cc(C)ccc1C(C)C 33735742 IUYPLQWXIHWUPC-MOHJPFBDSA-N 484.596 6.521 50 10 JKGE CCCCOc1cccc(C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@@H]3c2ccc(OC)cc2)c1 38650383 FTVIFWARVBVMBW-AREMUKBSSA-N 470.525 5.311 50 10 JKGE N#CC1=C(N)Oc2cc(OC(=O)C(c3ccccc3)c3ccccc3)ccc2[C@H]1c1ccccc1Cl 38651103 CDXWFLHIWVBNSL-MUUNZHRXSA-N 492.962 6.296 50 10 JKGE CCCCC1CCC(C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@@H]3c2ccc(Cl)cc2)CC1 38687819 ITLJIPUXPBGOCG-WKBCRJLYSA-N 464.993 6.460 50 10 JKGE CC(C)(C)CC(C)(C)c1ccc(OCC(=O)N/N=C/c2cccc(I)c2)cc1 40852311 SOGUITRAVZSRGT-AFUMVMLFSA-N 492.401 5.534 50 10 JKGE CCCc1ccc(OCC(=O)N/N=C/c2cc(Br)ccc2OCc2ccccc2)cc1 40889016 WHVKCAMIZBOQFU-JVWAILMASA-N 481.390 5.510 50 10 JKGE Cc1cc(OCC(=O)N/N=C/c2cn(Cc3ccccc3)c3ccccc23)ccc1Br 40912291 IJATUYMHIQHPSI-MZJWZYIUSA-N 476.374 5.290 50 10 JKGE CCCc1ccc(OCC(=O)N/N=C/c2c(OCC)ccc3ccccc23)c(Br)c1 40960169 IBSCGYIYNPBAAZ-CVKSISIWSA-N 469.379 5.483 50 10 JKGE CCn1c(SCCCC(=O)N/N=C(\C)c2ccc(Br)cc2)nc2ccccc21 58990946 QCHKXULYHWHPJP-BUVRLJJBSA-N 459.413 5.231 50 10 JKGE Cc1ccc(C)c(OCCCC(C)(C)C(=O)NNC(=O)[C@H](C)Oc2ccc(Cl)cc2Cl)c1 66201424 BNBFZPXXQHNPHQ-KRWDZBQOSA-N 481.420 5.410 50 10 JKGE COc1cc(C)c(Br)cc1[C@@H](Br)Cc1ccc(Br)cc1 115867007 QBSAGYZKVZLQEX-HNNXBMFYSA-N 463.007 6.207 50 10 JKGE CCOc1ccc([C@@H](Br)Cc2cccc(Br)c2)cc1Br 228992366 OUZLCQFYBXZVFN-AWEZNQCLSA-N 463.007 6.289 50 10 JKGE COCCOc1ccc([C@H](Br)c2cc(C)c(Br)s2)cc1Br 229015250 RUVYKVLJOAXCTP-AWEZNQCLSA-N 499.062 6.091 50 10 JKGE CC(C)(C)c1ccc([C@@H]2C[C@H]2C(=O)NN=Cc2ccc(-c3ccc(Cl)c(Cl)c3)o2)cc1 252614889 JMTPSXFSBCCNEQ-VQTJNVASSA-N 455.385 6.805 50 10 JKGE C=CCn1c(CNc2cccc3ccccc23)nnc1SCC(=O)NN=Cc1ccc(Cl)cc1 254341010 LXUNBYADIOZVCA-UHFFFAOYSA-N 491.020 5.125 50 10 JKGE COc1ccc(C(=O)NN=Cc2ccc(OCC(=O)c3ccc(-c4ccccc4)cc3)cc2)cc1 254377606 DFIHIRFZHUVFFG-UHFFFAOYSA-N 464.521 5.388 50 10 JKGE COc1ccc(-c2nnc(SCC(=O)NN=C/C(C)=C\c3ccccc3)n2-c2ccccc2)cc1 254660231 ZMWOASKYCLQGEY-MQZDSHHCSA-N 483.597 5.241 50 10 JKGE COc1ccc(C=NNC(=O)CSc2nnc(SCc3cccc4ccccc34)s2)cc1 254827457 ZPLXGHZFQHODMK-UHFFFAOYSA-N 480.640 5.235 50 10 JKGE CCCC[C@H](CC)CO[C@](C)(CI)CN(CC)C(=O)OC(C)(C)C 303741924 VWGIMMXQFAAPAA-QFBILLFUSA-N 455.421 5.670 50 10 JKGE O=C(OCC1c2ccccc2-c2ccccc21)n1c(-c2noc(CCl)n2)cc2ccccc21 309921980 REZKPBNOROWWOO-UHFFFAOYSA-N 455.901 6.227 50 10 JKGE COc1ccc(Br)cc1[C@H](Br)c1cccc(OCc2ccccc2)c1 310875539 MRYGOIWYGSKOFF-OAQYLSRUSA-N 462.181 6.521 50 10 JKGE Cc1cccc2c1nc(CCl)n2-c1ccc(I)cc1Br 312312735 XWMQHOPFEBJMIP-UHFFFAOYSA-N 461.528 5.440 50 10 JKGE Cc1cc(Oc2ccc(CBr)cc2Br)c(C)c(C)c1Br 312666491 WSUHITQOLQRJDF-UHFFFAOYSA-N 463.007 6.824 50 10 JKGE FC(F)(F)Oc1cccc([C@H](Br)c2cc(Br)sc2Br)c1 380172621 YWJXOOVIANVPNB-JTQLQIEISA-N 494.952 6.656 50 10 JKGE O=C1CCCc2cc([C@H](Br)c3sccc3I)ccc2N1 383691526 ARIURAADKVPTSU-AWEZNQCLSA-N 462.150 5.112 50 10 JKGE CCCOc1cccc2c1nc([C@@H](C)Cl)n2CCCN(Cc1ccccc1)Cc1ccccc1 390467950 BDDUQXKVYJDJEM-HSZRJFAPSA-N 476.064 7.217 50 10 JKGE CCN1C=CC=C/C1=C/C=C1C=CC(=N[P+](c2ccccc2)(c2ccccc2)c2ccccc2)C=C1 585658551 AZKQSWYZVAAKPN-HVPVPFNZSA-N 485.591 6.678 50 10 JKGE CC(C)(C)[Si](C)(C)OCCc1ccc([C@@H]2CCCCN(S(=O)(=O)c3ccccc3)C2)cc1 616604562 GAZHUBQUTRMEGX-XMMPIXPASA-N 473.755 6.209 50 10 JKGE CC(C)(C)[Si](C)(C)OCCc1ccc([C@@H]2CCCCN(CCO[Si](C)(C)C(C)(C)C)C2)cc1 616628459 LONUWUCHDDCUAE-AREMUKBSSA-N 491.909 7.842 50 10 JKGE CN(C(=O)OC(C)(C)C)c1ccc([C@@H]2COCCN2CCO[Si](C)(C)C(C)(C)C)cc1 616640832 PLINWEXOOBYSIY-NRFANRHFSA-N 450.696 5.453 50 10 JKGE CC(C)(C)[Si](C)(C)OCCc1cccc([C@H]2CNc3ccccc3N2Cc2ccccc2)c1 616690716 FLUGOUSUAZMMIR-MUUNZHRXSA-N 458.722 7.424 50 10 JKGE C[C@H](Cl)c1nc2ccc(F)c(Br)c2n1[C@@H]1CCN(Cc2ccccc2)[C@@H]1C 689773285 GAHSEYQGVGWISV-PMUMKWKESA-N 450.783 6.073 50 10 JKGE BrCC(CBr)(C[C@H]1CCCOC1)c1cccc(Br)c1 690356106 TZURZMCKCBQXKI-GFCCVEGCSA-N 455.028 5.293 50 10 JKGE CC(=NNC(=O)c1ccc(CN2CCC(Cc3ccccc3)CC2)cc1)c1ccc(C(C)(C)C)cc1 1084033369 MDXVKAPSHLSGRU-UHFFFAOYSA-N 481.684 6.593 50 10 JKGE C=CCc1cc(/C=C(\C#N)C(=O)Nc2ccc(C)cc2)cc(OCC)c1OCc1ccc(F)cc1 1084123531 WYGBVOAIZHDCNJ-LFVJCYFKSA-N 470.544 6.386 50 10 JKGE Cc1ccc(S(=O)(=O)Oc2ccc(C=NNC(=O)[C@H](C)c3ccc(CC(C)C)cc3)cc2)cc1 1084220998 ZTUOMNANCXOIKG-OAQYLSRUSA-N 478.614 5.215 50 10 JKGE C[C@@H](Sc1ccc(Cl)cc1)C(=O)NN=Cc1ccc(OCc2ccc3ccccc3c2)cc1 1084298171 FXYITKKMRAYAJC-LJQANCHMSA-N 475.013 6.703 50 10 JKGE Cc1cc(C=NNC(=O)COc2ccc(Cl)cc2Cl)c(C)n1-c1ccc(Cl)cc1 1084315451 QLQGVTCDTJBUSC-UHFFFAOYSA-N 450.753 5.583 50 10 JKGE Cc1c(C(=O)Oc2cccc3ccccc23)oc2c1C(=NNC(=O)c1ccccc1F)CCC2 1772744601 YBEYAOWHYWUGHH-UHFFFAOYSA-N 456.473 5.570 50 10 JKGE COc1cc(C=NNC(=O)CSc2nc3ccccc3o2)ccc1OCc1cc(C)cc(C)c1 1772760442 NBXCATAUNCUYSU-UHFFFAOYSA-N 475.570 5.275 50 10 JKGE COc1ccc(-c2nn(-c3cccc(Cl)c3)c3c2[C@@H](c2ccccc2)C(C#N)=C(N)O3)cc1 1865680309 GUHOYHJQQAAWPC-QFIPXVFZSA-N 454.917 5.419 50 10 JKGE COc1ccc(-c2nn(Cc3cc(C)ccc3C)c3c2[C@H](c2ccc(Cl)cc2)C(C#N)=C(N)O3)cc1 1865683066 FGYJYCQPRCOBKW-RUZDIDTESA-N 496.998 6.095 50 10 JKGE COc1ccc(-c2nn(-c3ccc(C)cc3)c3c2[C@H](c2cc(OC)ccc2OC)C(C#N)=C(N)O3)cc1 1865692000 HBGRRAAZWASMTF-RUZDIDTESA-N 494.551 5.092 50 10 JKGE CCCCOc1ccc([C@@H]2C(C#N)=C(N)Oc3c2c(C)nn3-c2ccc(Cl)c(Cl)c2)cc1OC 1865697570 WXQZCUVGOIDBOZ-HSZRJFAPSA-N 499.398 5.893 50 10 JKGE Cc1ccc(C)c(Cn2nc(-c3ccccc3)c3c2OC(N)=C(C#N)[C@H]3c2ccc(F)cc2F)c1 1865701823 GKMUHBCEHVTMTK-XMMPIXPASA-N 468.507 5.712 50 10 JKGE CC(C)Oc1ccccc1[C@H]1C(C#N)=C(N)Oc2c1c(-c1ccccc1)nn2Cc1ccc(F)cc1 1865705269 QFSMCEQUQGEAJP-VWLOTQADSA-N 480.543 5.743 50 10 JKGE COc1ccccc1[C@@H]1C(C#N)=C(N)Oc2c1c(-c1ccccc1)nn2-c1cccc(Cl)c1 1865710428 XWXZSZSXEZKKPH-JOCHJYFZSA-N 454.917 5.419 50 10 JKGE Cc1nn(-c2ccc(Cl)c(Cl)c2)c2c1[C@@H](c1ccc(C(F)(F)F)cc1)C(C#N)=C(N)O2 1865710731 GNFUKDKTRDLYEE-SFHVURJKSA-N 465.262 5.725 50 10 JKGE CCn1nc(C)c2c1OC(N)=C(C#N)[C@H]2c1ccc(OCc2ccccc2)c(OCc2ccccc2)c1 1865712334 VXQLQQGJYPOUJZ-MUUNZHRXSA-N 492.579 5.588 50 10 JKGE Cc1ccc([C@@H](C(=O)N[C@@H](Cc2ccc(F)cc2)C(=O)Nc2ccc(SC#N)cc2)C(C)C)cc1 1866951741 VSXLFHMHKLNRRU-UIOOFZCWSA-N 489.616 5.813 50 10 JKGE Cc1ccc(OC/C(O)=C(\C#N)c2nc(-c3ccc(C(C)(C)C)cc3)cs2)c(C(C)(C)C)c1 1872751196 WDADWWDMQJECID-FLFQWRMESA-N 460.643 7.585 50 10 JKGE CCOc1ccc(OCC)c(-c2csc(/C(C#N)=C(\O)c3cccc(Oc4ccccc4)c3)n2)c1 1872754941 QPGOUZQEZUCFKO-PNHLSOANSA-N 484.577 7.350 50 10 JKGE CCOc1cc(/C(O)=C(\C#N)c2nc(-c3ccc(OC)cc3OC)cs2)cc(OCC)c1OCC 1872755382 KZKIGPAGEWYYKJ-CLCOLTQESA-N 496.585 5.973 50 10 JKGE COc1ccc(-c2csc(/C(C#N)=C(\O)c3ccc4c(c3)C(=O)N(C(C)C)C4=O)n2)cc1Cl 1872757859 ZIPKLFCVRRBODX-FXBPSFAMSA-N 479.945 5.426 50 10 JKGE COc1ccc(-c2csc(/C(C#N)=C(\O)COc3ccc(C)cc3C(C)(C)C)n2)c(OC)c1OC 1872759419 NWTLBLZVCPXUOV-UZYVYHOESA-N 494.613 6.314 50 10 JKGE COc1ccc(OC)c(-c2csc(/C(C#N)=C/c3cc(Br)cc(OC)c3O)n2)c1 1872791562 MKLRKMRCAREJSL-AWNIVKPZSA-N 473.348 5.368 50 10 JKGE Cc1ccc(COc2ccc(/C=C(\C#N)c3nc(-c4ccc5c(c4)OCO5)cs3)cc2)cc1 1872792393 WHCVUYYMJZGFBU-WSDLNYQXSA-N 452.535 6.490 50 10 JKGE C[C@@H](Br)CN(Cc1ccccc1)C(=O)c1cccc(Br)c1Br 1914664609 UQRNBJVIHWHRNV-GFCCVEGCSA-N 490.033 5.637 50 10 JKGE O=C(c1cccc(Br)c1F)N(Cc1ccccc1)[C@H](CBr)C1CC1 1915311088 DEQBAQYZFPGCGU-QGZVFWFLSA-N 455.165 5.404 50 10 JKGE CC(C)[C@@H](CBr)N(Cc1ccccc1)c1nccc2c(Br)cccc12 1915321507 FNPPZXAWMMCHPC-HXUWFJFHSA-N 462.229 6.423 50 10 JKGE O=C(c1scc(Br)c1Br)N(Cc1ccccc1)C1(CCl)CCC1 1915765093 CHGJEPHNWAKBED-UHFFFAOYSA-N 477.649 6.077 50 10 JKGE Cc1cc([C@@H](Br)c2cc(Br)ccc2Br)oc1Br 1917583737 ALUYHVGJXJALTL-NSHDSACASA-N 487.811 6.360 50 10 JKGE C[C@H]1C[C@@H]([C@@H](Br)c2c(Br)sc(Br)c2Cl)C[C@@H](C)O1 1923065911 IYKOKQMHJXIUOP-UTSKPXGSSA-N 481.475 6.566 50 10 JKGE O=C(Nc1ccc(F)c(CCl)c1)c1ccc(I)c(Br)c1 1924876744 QZLYRHSYGQKWQC-UHFFFAOYSA-N 468.491 5.184 50 10 JKGE Fc1cc(Cl)c(Br)cc1[C@H](Br)c1ccsc1Br 1948519540 QYPMVKBKOIENMT-SNVBAGLBSA-N 463.391 6.550 50 10 JKGE CCCc1ccc([C@@H](Br)c2cc(Cl)ccc2I)s1 2027131537 MRYFOSFQPYJNAE-AWEZNQCLSA-N 455.586 6.443 50 10 JKGE COc1sc([C@H](Cl)c2cccc(C)c2I)cc1Br 2034629210 LGWRMOLOMPWIQN-LLVKDONJSA-N 457.558 5.760 50 10 JKGE Cc1cc(Br)c([C@@H](Cl)c2scc(C)c2Br)cc1Br 2039336131 OZPVEMWMJDFNTQ-GFCCVEGCSA-N 473.455 6.981 50 10 JKGE C[C@]1(C2CC2)CN(c2cc(Br)ccc2CBr)CCN1Cc1ccccc1 2094731747 BFKGVJYRFPQCCZ-JOCHJYFZSA-N 478.272 5.835 50 10 JKGE O=C(OCc1ccccc1)N1CCC2(CC1)CCN2C[C@H](CBr)c1ccccc1 2106785014 MXOKYUNWMFMHPR-QFIPXVFZSA-N 457.412 5.042 50 10 JKGE Cc1c(Br)sc([C@@H](Br)[C@H]2CCn3ccnc3C2)c1Br 2108963363 UTBLPDWACCGJHR-KWQFWETISA-N 469.040 5.477 50 10 JKGE Fc1c(Cl)cccc1C[C@@H](Cl)c1cc(I)ccc1Br 2113464130 SPDKGBIFBZXIMK-CYBMUJFWSA-N 473.938 6.369 50 10 JKGE Cl[C@H](c1cc(I)sn1)c1cc(Br)cc2c1OCCC2 2120031780 KNWZNCDOJDVKBO-LBPRGKRZSA-N 470.557 5.163 50 10 JKGE CC1(C)CC[C@H](Br)[C@H](Cc2ccc(Br)cc2Br)CC1 2122926874 GKGWWVRKZQKSIW-JSGCOSHPSA-N 453.056 6.734 50 10 JKGE BrC[C@H]1C[C@@H]2CC[C@H](C1)N2Cc1c(Br)cccc1Br 2128159373 MHCDYCGISANDMX-CNDDSTCGSA-N 452.028 5.350 50 10 JKGE C[C@@H]1OC2(COc3c(Br)cc(Br)cc3CBr)CC1C2 2132483415 CYOMNDZOTZLWBQ-BQDOLQKVSA-N 454.984 5.053 50 10 JKGE Cc1cc(Br)c(C)c([C@@H](Br)C[C@H](C)C(F)(F)F)c1Br 2136367007 MYBOCKFLDGKIAH-XVKPBYJWSA-N 466.961 6.853 50 10 JKGE Cc1cc(Br)c(C)c([C@H](Br)[C@H]2CC3(CC3)CO2)c1Br 2136376143 CBHOVHOXUNJGOO-BXUZGUMPSA-N 453.012 5.834 50 10 JKGE Cc1cc(Br)c(C)c([C@H](Br)C2(CC(C)C)CC2)c1Br 2136378404 CSTDNKGCNPYPMU-HNNXBMFYSA-N 453.056 7.091 50 10 JKGE CN(Cc1ccc(I)c(Cl)c1)C[C@@H](Br)C1CCCC1 2142950536 RRZOLJTWXKUHHZ-CYBMUJFWSA-N 456.593 5.330 50 10 JKGE Fc1ccc2nc(CCl)n([C@H]3CCOC[C@H]3OCc3ccccc3)c2c1Br 2146519492 HFNQJOZFEXPLJV-DLBZAZTESA-N 453.739 5.224 50 10 JKGE Cc1cc(Br)c([C@@H](Br)C(C)(C)C2CCCCC2)cc1Br 2149610915 OCNSIEPGDQGLDM-MRXNPFEDSA-N 467.083 7.563 50 10 JKGE CCC(CC)(CBr)CN1CC[C@H](C(F)(F)F)[C@H](CNC(=O)OC(C)(C)C)C1 2163058919 OWMUXFPMFWTHDU-CABCVRRESA-N 459.391 5.213 50 10 JKGE Cc1cc(Br)c(C)c([C@H](Br)c2cc(F)cc(Cl)c2)c1Br 2201067900 OANCBCAPMXCTET-OAHLLOKOSA-N 485.416 7.105 50 10 JKGE CCCCCc1ccc([C@@H](Cl)c2ccc(Br)cc2I)s1 2207263200 WBDOHKPUDCTKTI-INIZCTEOSA-N 483.640 7.176 50 10 JKGE Clc1cc(CN2C[C@H](Br)CC23CCCC3)ccc1I 2232254605 DUEZRJKPJNFIDE-GFCCVEGCSA-N 454.577 5.227 50 10 JKGE Cc1nn(C)c([C@@H](Cl)c2c(Br)cc(Cl)c(Cl)c2Cl)c1Br 2232515664 BECBSSDWBNDLRL-NSHDSACASA-N 481.830 6.542 50 10 JKGE Brc1cc(CNC2CCC2)cc(Br)c1OC[C@@H]1C[C@H]1Br 2240050739 ZYEDUYFYVXJSOZ-CMPLNLGQSA-N 468.027 5.016 50 10 JKGE Clc1cscc1[C@H](Br)Cc1cc(Br)cc(Br)c1 2252837617 RSNQBTNLVMKPKP-LLVKDONJSA-N 459.428 6.605 50 10 JKGE COc1sc([C@H](Cl)c2ccc(Cl)c(I)c2)cc1Br 2256338562 XXGDHSQRCXKKRN-LLVKDONJSA-N 477.976 6.105 50 10 JKGE C[C@@H]1O[C@H](C)[C@H]([C@@H](Br)Cc2cc(Br)cc(Br)c2)[C@@H]1C 2277961647 WRERENKEBIGMIF-WSOUCCKQSA-N 455.028 5.577 50 10 JKGE COc1cc(Cl)c(Cl)cc1[C@H](Br)c1cc(Cl)cc(Br)c1 2279047261 LNFQWQNSKARMHM-CQSZACIVSA-N 459.392 6.902 50 10 JKGE COc1cc(Br)c(C)cc1[C@@H](Cl)c1c(F)cccc1I 2282786549 HBFKPPAVUKRJQN-OAHLLOKOSA-N 469.519 5.838 50 10 JKGE COc1ccc([C@@H](Br)c2ccc(Cl)c(Cl)c2)c(Br)c1Cl 2283565015 YGSLTWFFQVRRFL-LBPRGKRZSA-N 459.392 6.902 50 10 JKGE C=CCC1(CBr)CCN(C(=O)c2csc(Br)c2Br)CC1 2287780875 BTODREYSPFJSDZ-UHFFFAOYSA-N 486.067 5.467 50 10 JKGE Fc1cc(Br)c(F)c(Br)c1[C@H](Br)[C@H]1CC2(CCC2)CO1 2288351523 CJRYJRJSOOMSRN-MWLCHTKSSA-N 474.965 5.885 50 10 JKGE Fc1cc(Br)c(F)c(Br)c1[C@H](Br)C[C@H]1CCCC1(F)F 2288360190 UYNGOKDILITKFF-RNFRBKRXSA-N 482.935 6.751 50 10 JKGE CC1(C)CCC(C)(C)[C@H](Br)[C@H]1Cc1ccc(Br)cc1Br 2290338505 VHIQLJSPJKGYJN-UKRRQHHQSA-N 467.083 6.980 50 10 JKGE COC1CC2(C1)CC([C@@H](Br)Cc1cc(Br)cc(Br)c1)C2 2295330674 YOAGQDVGPKWYQQ-PUPBTHHNSA-N 467.039 5.723 50 10 JKGE CCOC(=O)c1c(NC=C(C#N)c2nc(-c3ccc4ccccc4c3)cs2)sc2c1CCCC2 2296050378 BSUIELPIGALVOF-UHFFFAOYSA-N 485.634 7.057 50 10 JKGE Cc1ccc(C[C@@H]2SC(=C(C#N)C(=O)Nc3ccccn3)N(c3ccccc3)C2=O)cc1Cl 2296506761 DBXWYVGNEXQJFE-NRFANRHFSA-N 474.973 5.108 50 10 JKGE CCc1ccc(-c2csc(C(C#N)=CNc3ccc(C(=O)OCCN(CC)CC)cc3)n2)cc1 2297461701 HTZPJLRRZGTZSJ-UHFFFAOYSA-N 474.630 5.848 50 10 JKGE O=C(NN=CC(Br)=Cc1ccccc1)c1cc(C23CC4CC(CC(C4)C2)C3)n[nH]1 2297548865 BNLQYTNRJQORSM-UHFFFAOYSA-N 453.384 5.029 50 10 JKGE CCC(CC)[C@H](Br)c1c(Cl)cc(Br)c(F)c1Br 2300171589 CSVWWYSVVHSRIE-JTQLQIEISA-N 451.399 6.876 50 10 JKGE BrC[C@@H](Cc1sccc1I)c1ccc(Br)cc1 2301002132 IDSVEFYXSWNXDX-SNVBAGLBSA-N 486.010 5.836 50 10 JKGE Fc1ccc(Cl)cc1[C@H](Br)c1sc(Cl)cc1I 2301083568 JPTZFAIJMIZRJJ-JTQLQIEISA-N 465.940 6.283 50 10 JKGE Brc1cccc(Br)c1CO[C@@H]1CCCC[C@@H]1I 2302081168 YSQQOXWANZAHIZ-QWHCGFSZSA-N 473.974 5.474 50 10 JKGE N#CC(=Cc1cc(Br)ccc1OCc1ccc(Cl)cc1)C(=O)Nc1ccccc1 2313630222 ACUUAQLXHMVUMY-UHFFFAOYSA-N 467.750 6.227 50 10 JKGE Cc1ccc(COc2ccc(Br)cc2C=C(C#N)C(=O)Nc2cc(Cl)ccc2C)cc1 2313730323 PLDUFXVQLGLZEI-UHFFFAOYSA-N 495.804 6.844 50 10 JKGE FC(F)([C@H]1CCOC1)[C@@H](Br)c1ccc(OCc2ccccc2)cc1Br 2314443879 JAKYXNZMFILDHB-KSSFIOAISA-N 476.155 6.136 50 10 JKGE N#CC(=Cc1ccc(-c2cccc(Cl)c2Cl)o1)C(=O)Nc1sc2c(c1C(N)=O)CCCC2 2314482317 HHYXFNZPNWVSKN-UHFFFAOYSA-N 486.380 5.838 50 10 JKGE Cc1cc(F)ccc1[C@H](Br)c1ccc(OCc2ccccc2)cc1Br 2314501516 YOOOYYYAXVFUST-NRFANRHFSA-N 464.172 6.960 50 10 JKGE C=CCNC(=O)C(C#N)=C1S[C@@H](Cc2ccc(C)c(C)c2)C(=O)N1c1ccc(C(C)C)cc1 2314592817 CDTLYKIAEUYASA-DEOSSOPVSA-N 459.615 5.155 50 10 JKGE CC1=C(C#N)C(=O)N(Cc2ccco2)C(=O)C1=Cc1cn(-c2ccccc2)nc1-c1ccc(C)c(F)c1 2314618062 GLPYQTBWVJCROQ-UHFFFAOYSA-N 492.510 5.372 50 10 JKGE CC(C)(C)c1ccc(C=CC(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@H]3c2ccc([N+](=O)[O-])cc2)cc1 2314634008 ARCPNXILYPJZNN-MHZLTWQESA-N 495.535 5.729 50 10 JKGE CCOc1cccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)C=Cc4ccccc4Cl)ccc32)c1 2314634829 RPIRGVHWROBTBG-AREMUKBSSA-N 472.928 5.576 50 10 JKGE COc1cc(C=C(C#N)c2ccc(Cl)cc2)ccc1OC(=O)COc1ccc(C(C)(C)C)cc1 2314720635 VQQLNSYHAORHIN-UHFFFAOYSA-N 475.972 6.695 50 10 JKGE Cc1c(Br)sc([C@@H](Br)[C@]23C[C@H](C[C@H](C)O2)C3)c1Br 2319799801 ZTXHTJUCTNVAIS-HQFATVJPSA-N 459.041 5.975 50 10 JKGE Cc1nc(-c2ccc(Cl)c(Cl)c2)ccc1C(=O)NN=Cc1ccccc1C(F)(F)F 2321248707 YNIHJWRTXCNKNZ-UHFFFAOYSA-N 452.263 6.147 50 10 JKGE CCCCCCCCCOc1ccc(C=NNC(=O)Nc2ccc(Cl)cc2)c(Cl)c1 2323839939 QQDYSUDNUKZDRX-UHFFFAOYSA-N 450.410 7.278 50 10 JKGE C[C@H]1C[C@@H](C)C[C@@H](Br)[C@H]1Cc1ccc(I)c(Br)c1 2325176296 VSKPZKHIOIXQSD-RSLMWUCJSA-N 486.029 6.042 50 10 JKGE C=CCOc1ccccc1OCC(O)=C(C#N)c1nc(-c2cc(Cl)cc(C)c2OC)cs1 2331392312 PULOZTMBCYXSHJ-UHFFFAOYSA-N 468.962 6.217 50 10 JKGE COc1c(C)cc(Cl)cc1-c1csc(C(C#N)=C(O)COc2ccc(Cl)cc2Cl)n1 2331392316 QAOGFCLVYPATLP-UHFFFAOYSA-N 481.788 6.959 50 10 JKGE Cc1ccccc1COc1ccc(C=C(C#N)c2nc(-c3ccc4c(c3)CCCC4)cs2)cc1 2331416560 JRTGXBOYXCHISV-UHFFFAOYSA-N 462.618 7.641 50 10 JKGE CCOc1c(Br)cc(C=C(C#N)c2nc(-c3ccc4ccccc4c3)cs2)cc1OC 2331417017 QXDSSMZZTKPHDU-UHFFFAOYSA-N 491.410 7.197 50 10 JKGE CCCOc1ccc(-c2csc(C(C#N)=Cc3ccc(C(C)(C)C)cc3)n2)cc1OCCC 2331437908 RSSDONVZPCTEJN-UHFFFAOYSA-N 460.643 7.749 50 10 JKGE CCOc1ccc(OCC)c(-c2csc(C(C#N)=Cc3ccc(OC(C)C)c(OC)c3)n2)c1 2331470231 VKLZKRFSMHAFIC-UHFFFAOYSA-N 464.587 6.467 50 10 JKGE CC1([C@@H](Br)c2ccc(OCc3ccccc3)cc2Br)CCCCCCC1 2336080477 ZHZTZNLCJYITHH-QFIPXVFZSA-N 480.284 8.215 50 10 JKGE Fc1c(Br)cc(Cl)c([C@@H](Br)[C@H]2C[C@@H]3CC[C@H]2O3)c1Br 2337083105 UTKRFRJDYFTBRY-AXPQPMNGSA-N 477.393 6.008 50 10 JKGE COC1(C[C@H](Br)c2c(Cl)cc(Br)c(F)c2Br)CCC1 2337112168 CKTOQXCVBVOVIL-QMMMGPOBSA-N 479.409 6.399 50 10 JKGE BrC[C@@]12CCCC[C@@H]1N(Cc1sccc1I)CCC2 2338753747 ZQIOKUMQODQWKG-GJZGRUSLSA-N 454.215 5.272 50 10 JKGE ClCc1nc(OCc2cc(I)ccc2Br)ccc1Cl 2341552107 KMVRAUVKMNNORY-UHFFFAOYSA-N 472.935 5.420 50 10 JKGE CN(Cc1ccc(I)c(Br)c1)[C@@H]1CCCCC[C@@H]1Cl 2349857901 DAZFSIDJXBQWHN-DZGCQCFKSA-N 456.593 5.426 50 10 JKGE CCc1cc(Br)c(OC)c([C@@H](Br)c2cocc2Br)c1 2353032797 BBKGGOYMGFTAIL-CYBMUJFWSA-N 452.968 5.860 50 10 JKGE CCc1ccc(OC)c([C@@H](Cl)c2cc(Br)ccc2I)c1 2361925354 JJTOFHVNTSCQBO-INIZCTEOSA-N 465.556 5.953 50 10 JKGE Clc1ccc(CN2CC3(CCC3)CC[C@@H]2CBr)cc1I 2362381324 WLKNQMNPOOAALO-CYBMUJFWSA-N 468.604 5.474 50 10 JKGE Brc1cc(Br)cc(O[C@@H]2C[C@H](Br)C23CCCCCC3)c1 2364223671 YRFJRMLDCJYGDK-LSDHHAIUSA-N 467.039 6.467 50 10 JKGE CCC[C@H](CC(C)C)[C@@H](Br)c1c(C)cc(Br)c(F)c1Br 2365184783 GEQAMSOFTKQKRL-BXUZGUMPSA-N 473.062 7.558 50 10 JKGE Cc1cc(Br)c(F)c(Br)c1[C@H](Br)[C@@H]1CCCCC1(F)F 2365214540 BHAGCEDEAKXHGL-GZMMTYOYSA-N 478.972 6.921 50 10 JKGE CCc1cccc(CBr)c1OCc1ccc(Cl)cc1I 2366706000 BZEKHONZLLHXDQ-UHFFFAOYSA-N 465.556 5.981 50 10 JKGE C=CC[C@@]1(CBr)CCCCN1Cc1ccc(Cl)cc1I 2366722550 CTRGLYRYWUOKHC-INIZCTEOSA-N 468.604 5.640 50 10 JKGE Cc1cc(Br)c(C(C)C)cc1[C@H](Br)c1ccccc1Br 2380943364 XOOQRNADXYDCPZ-QGZVFWFLSA-N 461.035 7.128 50 10 JKGE O=C(N/N=C/c1ccc(-c2cccc(Br)c2)o1)[C@H]1COc2cc3ccccc3cc2O1 1209916 KNNXITWNKWMMNZ-NSZYMRRGSA-N 477.314 5.152 50 10 JKGE CCc1ccc(N/C(SCc2cccc(F)c2)=C(/C#N)C(=O)NCc2ccc3c(c2)OCO3)cc1 3058839 XFETWBAEJLSRSX-SLEBQGDGSA-N 489.572 5.514 50 10 JKGE Cc1ccc(N/C(SCc2cccc([N+](=O)[O-])c2)=C(/C#N)C(=O)NCc2ccco2)cc1C 3058947 MNSRQQFFTRVHEB-ZNTNEXAZSA-N 462.531 5.202 50 10 JKGE N#C/C(=C/c1ccc(-c2cccc([N+](=O)[O-])c2)o1)C(=O)Nc1ncc(Cc2cccc(Cl)c2)s1 9404119 RZQLYSLZVRDXBP-ATVHPVEESA-N 490.928 6.101 50 10 JKGE N#C/C(=C/c1ccc(OC(=O)/C=C/c2ccc(OCc3ccccc3)cc2)cc1)c1ccccc1F 31901672 PWZLEZYDVIIRDK-MTEFWPGJSA-N 475.519 7.088 50 10 JKGE N#C/C(=C/c1ccc(-c2ccc(F)cc2)o1)C(=O)Nc1ncc(Cc2ccc(Cl)cc2)s1 33339797 TWCZUCGFHWGKJW-ATVHPVEESA-N 463.921 6.332 50 10 JKGE C=CCOc1ccc(/C=C2/C(=O)N(Cc3ccccc3Cl)C(=O)C(C#N)=C2C)cc1OCC 38608796 LOLXPNZXTGFOEZ-DEDYPNTBSA-N 462.933 5.096 50 10 JKGE CCCCOc1ccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)COc4c(C)cccc4C)ccc32)cc1 38650813 TVLDZHRVSZISAB-MUUNZHRXSA-N 498.579 5.685 50 10 JKGE CC(C)(C)c1ccc(C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@H]3c2cccc([N+](=O)[O-])c2)cc1 38653357 LXXQGEYZXCFOLD-DEOSSOPVSA-N 469.497 5.330 50 10 JKGE N#CC1=C(N)Oc2cc(OC(=O)c3ccccc3Cl)ccc2[C@H]1c1ccccc1Br 38678497 ZYHBKNSOEDJYAE-OAQYLSRUSA-N 481.733 5.540 50 10 JKGE N#C/C(=C\c1ccc(-c2ccccc2Cl)o1)C(=O)Nc1cc(C(F)(F)F)ccc1Cl 39884843 IMUWATQPQHCVMF-FMIVXFBMSA-N 451.231 6.818 50 10 JKGE O=C(NNc1ncnc(Nc2ccc(Oc3ccccc3)cc2)c1[N+](=O)[O-])c1cccc(Cl)c1 40658626 PFWMUKXAMUSUOM-UHFFFAOYSA-N 476.880 5.331 50 10 JKGE Cc1c(C(=O)Nc2cccc(Cl)c2)oc2c1/C(=N/NC(=O)c1ccc(Cl)cc1Cl)CCC2 40813728 DVRMJLHKKUMYNN-MTDXEUNCSA-N 490.774 6.271 50 10 JKGE COc1ccccc1NC(=O)/C(C#N)=C/c1ccc(-c2ccc(Br)c(C)c2C)o1 58832509 YDUXKPUNXRUXIK-FOWTUZBSSA-N 451.320 5.880 50 10 JKGE CN(C)c1ccc(/C=N/NC(=O)CSc2c(Cl)c(Cl)c(Cl)c(Cl)c2Cl)cc1 59155156 UFQOPGXRQBGTGZ-HCGXMYGOSA-N 485.651 6.262 50 10 JKGE Cc1ccc(NC(=O)/C(C#N)=C\c2ccccc2OCc2ccc(I)cc2)cc1 59335762 RCTUGQOBCNNQHE-ZHZULCJRSA-N 494.332 5.724 50 10 JKGE CC(C)Cc1ccc([C@H](C)C(=O)NNC(=O)COc2ccc(C(C)(C)C)cc2Br)cc1 66199342 FYGLOJPKRPKHPG-KRWDZBQOSA-N 489.454 5.275 50 10 JKGE CCN(CC)CCOc1ccc([C@H](c2ccccc2)[C@@H](Cl)c2ccc(O)c(OC)c2)cc1 95934562 PEXJBROMVLFYHY-SVBPBHIXSA-N 454.010 6.233 50 10 JKGE CC(C)COc1ccc(-c2nn(-c3ccccc3)cc2/C=C(/C#N)c2nc3ccccc3s2)cc1 96401982 YOOHSTLLVFLMGJ-JWGURIENSA-N 476.605 7.248 50 10 JKGE N#C/C(=C(\Nc1ccccc1Cl)SCc1ccc(F)cc1)S(=O)(=O)c1ccccc1 96482139 RMLHKLZYJFLIKM-DQRAZIAOSA-N 458.967 5.991 50 10 JKGE Fc1cc(Br)c(Cl)cc1[C@@H](Br)c1c(F)cc(Br)cc1F 97896023 HUUUMRVPUIGNGG-CYBMUJFWSA-N 493.342 6.767 50 10 JKGE COc1cccc(N/C=C(/C#N)c2nc(-c3cc4cc(Br)ccc4oc3=O)cs2)c1 100373584 CBBMGVREUKZZLM-KAMYIIQDSA-N 480.343 5.664 50 10 JKGE Cc1ccc(N2C(=O)[C@H](Cc3ccccc3F)S/C2=C(/C#N)C(=O)NCc2ccccc2)cc1C 101241327 CTBOCPJGYIJABN-IDJUBOEBSA-N 485.584 5.185 50 10 JKGE N#C/C(=C\c1cccc(Cl)c1)c1nc(-c2cccs2)c(NC(=O)c2ccc(Cl)cc2)s1 102630859 YRHYMCWUVINQMH-LFIBNONCSA-N 482.417 7.495 50 10 JKGE COc1cccc(/C=C(\C#N)c2nc(-c3cc4cc(Cl)cc(Cl)c4oc3=O)cs2)c1OC 104975128 SHWFIPAIPGILQJ-MKMNVTDBSA-N 485.348 6.305 50 10 JKGE Clc1cc(Br)ccc1[C@H](Br)c1cc2c(cc1Br)OCCO2 109865494 KOJUEGYSUUOOCK-HNNXBMFYSA-N 497.408 6.121 50 10 JKGE Fc1ccc(C[C@H](CBr)Cc2ccccc2Br)c(Br)c1 116648785 ORHGXFFHVPMMQO-LLVKDONJSA-N 464.998 6.147 50 10 JKGE COc1ccc(OC)c([C@H](Br)c2cc(Br)c(C)cc2Br)c1 128738025 FDSLEJYPJFRUMB-MRXNPFEDSA-N 479.006 6.022 50 10 JKGE Cc1cc([C@@H](Br)c2cc(F)c(Br)cc2F)ccc1Br 137909464 ZRQWPMBVZWBZAE-CQSZACIVSA-N 454.934 6.283 50 10 JKGE Clc1cc([C@@H](Br)c2ccc3cc(Br)ccc3c2)sc1Br 159681434 YZHXIVLPDVTXQF-AWEZNQCLSA-N 495.461 7.564 50 10 JKGE COc1cc(/C=C(/C#N)c2nc3ccccc3n2C)cc([N+](=O)[O-])c1OCc1ccccc1C 169939599 DAHCMLZGZLXVID-NDENLUEZSA-N 454.486 5.442 50 10 JKGE CCCCCCCCCCCCCCCC[N+](C)(C)CCC[Si](OCC)(OCC)OCC 195768066 QGTOQGQTUDXNOA-UHFFFAOYSA-N 474.867 7.983 50 10 JKGE O=C(Nc1ccc(Cl)cc1I)c1ccc(CBr)cc1 232210321 GQRMVXKRRCDAMO-UHFFFAOYSA-N 450.501 5.092 50 10 JKGE C[C@@H]1Cc2cc([C@H](Br)c3cc(Br)sc3Br)ccc2O1 235413179 XBZILZASZTYONE-UHLUBPPHSA-N 467.020 6.081 50 10 JKGE C[C@@H]1[C@@H](NC(=O)[C@H](c2ccc(F)cc2)N(Cc2cccs2)C(=O)CCl)CCC[C@H]1C 252586494 QMKGVXLWWQBNPZ-FZPGNPMOSA-N 451.007 5.137 50 10 JKGE CCn1c(SCC(=O)NN=Cc2c3ccccc3cc3ccccc23)nnc1-c1ccccc1 254400084 ZKJGLLNXPPQTGL-UHFFFAOYSA-N 465.582 5.514 50 10 JKGE CC(C)(C)c1ccc(-c2nnc(SCC(=O)NN=Cc3ccccc3)n2-c2ccccc2)cc1 254668645 GCOHQDXVBLRSHE-UHFFFAOYSA-N 469.614 5.474 50 10 JKGE CCN(CC)c1ccc(/C=C2\CCC(C=NNC(=O)Nc3ccccc3)=C2N2CCOCC2)cc1 254737982 BSPYRKURPAOLAV-KQEVRJLPSA-N 473.621 5.104 50 10 JKGE CCOC(=O)N/N=C1\CCCc2oc(C(=O)Nc3ccc(N=Nc4ccccc4)cc3)c(C)c21 256018445 JLNXFTYJQSNSJZ-VTTSJRDBSA-N 459.506 6.042 50 10 JKGE Cc1cc(Oc2ccc(CBr)c(Br)c2)c(C)c(C)c1Br 312650349 TZYQUHOXFWIMNY-UHFFFAOYSA-N 463.007 6.824 50 10 JKGE Cc1cccc([C@H](Br)c2c(Br)cc(F)c(F)c2F)c1Br 398732848 NBFZSHBJOKAYRY-LBPRGKRZSA-N 472.924 6.422 50 10 JKGE CCC(CBr)(CBr)Cc1cc(Cl)ccc1I 405354669 XCNKJENDTBQDTL-UHFFFAOYSA-N 480.409 5.673 50 10 JKGE CC(C)(C)OC(=O)NCCN1CCCC[C@H](c2cccc(CCO[Si](C)(C)C(C)(C)C)c2)C1 616603737 VOVZFAVLQVIMHV-DEOSSOPVSA-N 476.778 6.345 50 10 JKGE CCOc1ccc([C@@H](Br)c2ncsc2Br)cc1Br 698649099 VWRMXXXYBKHYMT-SNVBAGLBSA-N 455.997 5.551 50 10 JKGE C[C@H]1CCN(Cc2ccccc2)C[C@H]1n1c(CCl)nc2cc(F)c(Br)cc21 716302341 TZPPDMWMIRLKPS-VBKZILBWSA-N 450.783 5.760 50 10 JKGE C[C@H]1CCN(Cc2ccccc2)C[C@@H]1n1c(CCl)nc2ccc(F)c(Br)c21 716302446 UHAHLSWHDXAAID-KSSFIOAISA-N 450.783 5.760 50 10 JKGE Cc1cc(Br)c([C@H](Br)c2cccc(F)c2I)s1 721673446 SYTGNRTUGGBBIP-SNVBAGLBSA-N 489.973 6.047 50 10 JKGE Fc1cc(COc2c(Br)cc(CCl)cc2Br)ccc1Br 722007859 UVSZOXPNNRHPPF-UHFFFAOYSA-N 487.388 6.431 50 10 JKGE O=C(COc1ccc2ccccc2c1Br)NN=C(/C=C/c1ccccc1)c1ccccc1 725432586 PMTGAEUPTAVWOG-XBFOIAKLSA-N 485.381 6.215 50 10 JKGE O=C(CSc1c(Cl)c(Cl)c(Cl)c(Cl)c1Cl)NN=Cc1cccc(O)c1 1083973907 FPDSZCQMKBESKS-UHFFFAOYSA-N 458.581 5.902 50 10 JKGE Cc1ccc(-n2c(C)cc(C=NNC(=O)CSCc3cccc(Br)c3)c2C)c(C)c1 1083999088 GSKNLXAIUWHAFB-UHFFFAOYSA-N 484.463 5.857 50 10 JKGE COc1cc(/C=C(/C#N)C(=O)Nc2cccc(C(F)(F)F)c2)ccc1OCc1cccc(Cl)c1 1084232361 UMSICPTUHKGNMN-ZDLGFXPLSA-N 486.877 6.492 50 10 JKGE COc1cc(/C=C(/C#N)C(=O)Nc2cccc(Cl)c2Cl)ccc1OC(=O)c1ccc(C)cc1 1084247278 USPFTHBBAYEEPP-PDGQHHTCSA-N 481.335 6.075 50 10 JKGE CCN(CC)c1ccc(C=NNC(=O)c2cc3cc(Br)ccc3o2)cc1Br 1084326905 CSECSIDTHOQZHM-UHFFFAOYSA-N 493.199 5.568 50 10 JKGE O=C(NN=Cc1ccc(Cl)cc1Cl)c1ccc([C@@H]2Nc3ccccc3[C@@H]3C=CC[C@H]32)cc1 1084561567 GIMMOLPHFIGUNM-HOKHCIIBSA-N 462.380 6.584 50 10 JKGE C=CCc1cc(C=NNC(=O)CC[C@H](O)c2ccc(OCC)cc2)ccc1OCc1ccccc1 1084638980 RSEORYVCMAIUQZ-MHZLTWQESA-N 472.585 5.357 50 10 JKGE Cc1c(C(=O)NCc2ccccc2Cl)oc2c1C(=NNC(=O)c1ccc3ccccc3n1)CCC2 1772751194 KBOTZJMESVISKK-UHFFFAOYSA-N 486.959 5.190 50 10 JKGE CCCc1nn(Cc2ccccc2Cl)c2c1[C@H](c1cccc3ccccc13)C(C#N)=C(N)O2 1865682469 PETDHGRSCHGOMD-XMMPIXPASA-N 454.961 5.909 50 10 JKGE COc1cccc([C@@H]2C(C#N)=C(N)Oc3c2c(C(F)(F)F)nn3-c2ccc(Cl)c(Cl)c2)c1O 1865684755 XKRKTLCHMFNQPL-OAHLLOKOSA-N 497.260 5.130 50 10 JKGE CCCOc1c(OC)cccc1[C@H]1C(C#N)=C(N)Oc2c1c(-c1ccccc1)nn2CC(C)C 1865692777 IBLZOSUEGUUDOB-QFIPXVFZSA-N 458.562 5.222 50 10 JKGE CCCc1nn(CC)c2c1[C@@H](c1ccc(OCc3ccccc3)c(OCC)c1)C(C#N)=C(N)O2 1865694688 ZFYLMIYZCOWYIV-DEOSSOPVSA-N 458.562 5.051 50 10 JKGE Cc1nn(-c2cccc(Cl)c2)c2c1[C@@H](c1cccc(OCc3ccccc3)c1)C(C#N)=C(N)O2 1865712017 NSKOZRFMQCNHHV-VWLOTQADSA-N 468.944 5.631 50 10 JKGE COc1ccc(-c2nn(Cc3ccc(C)cc3)c3c2[C@H](c2ccc(OC)cc2)C(C#N)=C(N)O3)cc1 1865713378 XTJAXGFXFIKEGD-RUZDIDTESA-N 478.552 5.142 50 10 JKGE COc1cccc(-c2ccc(C(=O)NNC(=O)/C=C/c3ccc(OCc4ccccc4)cc3)c(C)n2)c1 1865758439 AEOXATFRPXXKAY-QGOAFFKASA-N 493.563 5.119 50 10 JKGE Cc1ccc(CCCC(=O)N/N=C\c2cn(CCOc3ccc(Cl)cc3)c3ccccc23)c(C)c1 1865762717 YRALZSUYOQBSGR-DXJNIWACSA-N 488.031 6.464 50 10 JKGE C[C@@H]1CN(c2cc(Nc3ccc(SC#N)cc3)nc(-c3cccnc3)n2)C[C@H](c2ccc(F)cc2)O1 1868565060 GXDKMUIGAMXPAQ-HOYKHHGWSA-N 498.587 5.961 50 10 JKGE CCc1cc2c(=O)c(-c3ccc(OC)c(OC)c3)c(C)oc2cc1OCc1cccc(CCl)c1 1871437386 VEIWZZZKOAPUDG-UHFFFAOYSA-N 478.972 6.666 50 10 JKGE COC(=O)c1ccc(/C(C#N)=C/c2ccc(N3N=C(c4ccccc4)C[C@@H]3c3ccccc3)cc2)o1 1872728752 RKZLFSPOTIJMHO-WTDOPDLHSA-N 473.532 6.486 50 10 JKGE CCOC(=O)c1ccc(N2C[C@H](/C(O)=C(\C#N)c3nc(-c4ccc(CC)cc4)cs3)CC2=O)cc1 1872744263 JURCRPDRZOBMOA-AYZDXIITSA-N 487.581 5.395 50 10 JKGE CCCCCCCOc1ccc(-c2csc(/C(C#N)=C(\O)c3cccc(NC(C)=O)c3)n2)cc1 1872753439 XCQMDZONQFVXIK-LCUIJRPUSA-N 475.614 7.068 50 10 JKGE CCc1cccc(CC)c1N1C[C@@H](/C(O)=C(\C#N)c2nc(-c3c(C)c(C)cc(C)c3C)cs2)CC1=O 1872754092 BXEYCZJCDGHDOS-RFMZPPLZSA-N 499.680 7.014 50 10 JKGE Cc1cc(C)c(C)c(-c2csc(/C(C#N)=C(\O)[C@@H](C)N3C(=O)c4ccccc4C3=O)n2)c1C 1872754488 VRVLTJQLJDKUEQ-HLGQQVFSSA-N 457.555 5.521 50 10 JKGE CCOc1ccc(CC/C(O)=C(\C#N)c2nc(-c3cc(C(C)(C)C)ccc3C)cs2)cc1OC 1872755825 IBONBKHQHOYRHW-GYHWCHFESA-N 476.642 7.249 50 10 JKGE COc1ccc(-c2csc(/C(C#N)=C(\O)CCCOc3ccccc3C)n2)c(OC)c1OC 1872759024 BDNUVYDWKMCTQY-ZZEZOPTASA-N 466.559 5.796 50 10 JKGE N#C/C(=C\c1ccccc1OCc1ccccc1Cl)c1nc(-c2ccc(Cl)cc2Cl)cs1 1872781945 YFXNRKHUANFGRS-WOJGMQOQSA-N 497.834 8.413 50 10 JKGE COc1cc(/C=C(\C#N)c2nc(-c3cccc([N+](=O)[O-])c3)cs2)ccc1OCCCc1ccccc1 1872782727 RHAURNPDTWCKOR-HZHRSRAPSA-N 497.576 6.803 50 10 JKGE COc1cc(Br)cc(/C=C(\C#N)c2nc(-c3ccc([N+](=O)[O-])cc3)cs2)c1O 1872784151 GCRKDFUWPWEAJY-AWNIVKPZSA-N 458.293 5.259 50 10 JKGE CCCN(CCC)C(=O)COc1ccc(/C=C(\C#N)c2nc(-c3ccccc3)cs2)cc1OC 1872790278 XBJUEGBHFODQBV-PXLXIMEGSA-N 475.614 5.910 50 10 JKGE CCCCOc1ccc(/C=C(\C#N)c2nc(-c3cc(OC)ccc3OC)cs2)cc1OC 1872791336 DXNAXORFPSMQLZ-LDADJPATSA-N 450.560 6.079 50 10 JKGE CCOc1ccc(-c2csc(/C(C#N)=C/c3cc(OC)c(O)c(OC)c3)n2)c(OCC)c1 1872794066 INAKCAUOHYGCOP-CXUHLZMHSA-N 452.532 5.394 50 10 JKGE CC(C)(C)OC(=O)N[C@@H](CBr)[C@@H]1CN(Cc2ccccc2)C2(CCCCC2)C1 1885095288 AGHOFGVRERUDDF-PMACEKPBSA-N 451.449 5.500 50 10 JKGE ClCC[C@@H](COCc1ccccc1)NCc1cc(Cl)ccc1I 1902900797 GEOKGSGLTVNSIA-KRWDZBQOSA-N 464.174 5.249 50 10 JKGE C[C@H](Cl)c1nc2c(Br)cc(F)cc2n1C1CCN(Cc2ccccc2)CC1 1912663528 HQTPEKHKLONASQ-AWEZNQCLSA-N 450.783 6.075 50 10 JKGE C[C@H](CCCl)N(Cc1ccccc1)S(=O)(=O)c1cc(Br)ccc1Br 1915070564 YWAKFNLQGPJOOM-CYBMUJFWSA-N 495.664 5.420 50 10 JKGE Clc1c(Br)sc(Br)c1[C@H](Br)[C@@H]1CCCC2(CC2)C1 1923037816 FVXVSFKPVLNZMK-VXNVDRBHSA-N 477.487 7.333 50 10 JKGE Cc1cc(Br)c(F)c([C@@H](Br)[C@@H](C)c2ccncc2Br)c1 1924054986 CTKXYBAOZQDBRT-XPTSAGLGSA-N 465.986 6.294 50 10 JKGE Cc1cc(Br)sc1[C@H](Br)c1cccc(OCc2ccccc2)c1 1939453874 UEOWKHGOZSZAMA-GOSISDBHSA-N 452.211 6.882 50 10 JKGE Brc1ccc(Br)c([C@H](Br)c2cc(Br)sn2)c1 1983286219 NOJFKVIHXUBLPG-JTQLQIEISA-N 490.840 5.915 50 10 JKGE COc1sc([C@@H](Br)c2cc(Br)c(Cl)s2)cc1Br 2004903148 UZUNQBOEYXRSGB-QMMMGPOBSA-N 481.456 6.481 50 10 JKGE CCN(C[C@](C)(CI)O[C@@H]1CC(C)(C)C1(C)C)C(=O)OC(C)(C)C 2025011141 PBDOPZJFKLPKFR-KUHUBIRLSA-N 453.405 5.278 50 10 JKGE FC1(F)[C@H]2C[C@@H]([C@@H](Br)c3cc(Br)sc3Br)CC[C@H]21 2030334696 VSXQBQLTMUZVDH-LHGNLISDSA-N 464.995 6.391 50 10 JKGE CC1(CC(CBr)(CBr)c2cccc(Br)c2)CSC1 2035385158 JVHHBRXSZUDHIO-UHFFFAOYSA-N 457.069 5.620 50 10 JKGE Cc1nc([C@@H](Cl)c2cc(Br)c(C)cc2Br)c(Br)s1 2050332512 ZOXCNDYEVGHCAO-JTQLQIEISA-N 474.443 6.376 50 10 JKGE C[C@@]12CC[C@@]([C@@H](Br)c3c(Br)sc(Br)c3Cl)(CO1)C2 2058138377 DBHXXMXICHQGKW-UWJYBYFXSA-N 479.459 6.322 50 10 JKGE FC(F)(F)[C@@H]1C[C@@H]1C[C@H](Br)c1c(Br)sc(Br)c1Cl 2065505182 JLBDQJNKLCCURU-WDCZJNDASA-N 491.392 6.951 50 10 JKGE Cc1c(Br)sc([C@@H](Br)C(F)(F)C2CCCC2)c1Br 2065541277 QDRVQLSDMAJKEP-SNVBAGLBSA-N 467.011 6.843 50 10 JKGE Cc1sc(Br)c([C@@H](Br)c2ccc(Cl)c(Br)c2)c1C 2082886411 WRUGQPQWJCJXQH-LBPRGKRZSA-N 473.455 7.028 50 10 JKGE COc1c(Cl)cc(Cl)cc1-c1csc([C@@H](C#N)C(=O)C(C#N)=Cc2ccccc2)n1 2084337302 CXTJEIDBYPGYJQ-KRWDZBQOSA-N 454.338 5.909 50 10 JKGE Clc1ccc(Br)cc1C[C@@H](CBr)c1ccc(Br)cc1 2110523622 JXTLRSJWSQPGOQ-LBPRGKRZSA-N 467.426 6.586 50 10 JKGE Fc1cc(Br)cc(CC[C@@H](Br)c2ccccc2Br)c1 2113444953 RIUAPNIUIZVVAI-OAHLLOKOSA-N 450.971 6.420 50 10 JKGE Cc1cccc([C@H](Br)c2ccc(Br)c(C)c2Br)c1Cl 2138851266 JTFUFZLXRBBLNA-CQSZACIVSA-N 467.426 6.966 50 10 JKGE Cc1c(Br)ccc([C@@H](Br)C(C)(C)CC(F)(F)F)c1Br 2138863566 MKHTVNVHSNAYOO-LLVKDONJSA-N 466.961 6.935 50 10 JKGE FC1(F)CC[C@H](Br)[C@@H](Cc2ccc(I)c(Cl)c2)CC1 2142954100 VIIVEXADDUVMQI-MNOVXSKESA-N 463.531 6.076 50 10 JKGE COc1cc(Br)c(C)cc1[C@@H](Cl)c1ccc(I)c(Cl)c1 2145956528 KYFWXCHBOAFETO-HNNXBMFYSA-N 485.974 6.352 50 10 JKGE Cc1ccc(Br)cc1[C@H](Br)c1cc(Br)c2c(c1)CCO2 2146630402 WVHMDSOMUGELKI-OAHLLOKOSA-N 460.991 5.939 50 10 JKGE O=[N+]([O-])c1ccc(C[C@@H](Br)c2cc(I)ccc2F)cc1 2169664391 LWCOIIVOUPLJLU-CYBMUJFWSA-N 450.045 5.017 50 10 JKGE Cc1ccc(I)c(C(=O)N(Cc2ccccc2)[C@@H](CBr)C2CC2)c1 2217394137 JNYKAHJHTPTNNC-IBGZPJMESA-N 498.202 5.416 50 10 JKGE Fc1cc(Br)c(Br)cc1[C@H](Br)[C@@H]1CCCC1(F)F 2218599250 ZMSAVXDACBHRBX-CPCISQLKSA-N 450.918 6.222 50 10 JKGE Fc1cc(Br)c(Br)cc1[C@@H](Br)C1(CC(F)(F)F)CC1 2225620856 ZUWQFEUHLMFZQP-SNVBAGLBSA-N 468.908 6.519 50 10 JKGE Fc1ccc([C@@H](Br)c2cc(Br)c(Br)cc2F)c(Cl)c1 2225635933 YDSLKJYOQYDQTQ-CYBMUJFWSA-N 475.352 6.628 50 10 JKGE CCCOC1([C@@H](Br)c2c(Br)cc(C)c(Br)c2C)CC1 2227351409 MEXAZUXWJSIEDH-AWEZNQCLSA-N 455.028 6.224 50 10 JKGE CSc1ccccc1[C@H](Br)c1c(Br)cc(Cl)c(Cl)c1Cl 2232514873 XKQPQKQXNQGVIM-LBPRGKRZSA-N 475.460 7.616 50 10 JKGE Fc1cc(Br)c(Br)cc1[C@@H](Cl)c1cscc1C(F)(F)F 2233968950 GHRNRBRJUWUBDE-LLVKDONJSA-N 452.492 6.759 50 10 JKGE CSc1ccc([C@@H](Br)c2c(Br)cc(C)c(Br)c2C)cc1 2235606654 WWVVPDKYABJXJC-MRXNPFEDSA-N 479.075 7.035 50 10 JKGE CCC12COC([C@@H](Br)c3c(Br)cc(C)c(Br)c3C)(C1)C2 2235609311 BMDKJGUJIIOUCT-FHERZECASA-N 467.039 6.224 50 10 JKGE Fc1cc([C@H](Br)c2c(F)cc(F)c(Br)c2F)ccc1Br 2236112223 YDVDFMURKLOEKW-NSHDSACASA-N 476.887 6.252 50 10 JKGE Cl[C@@H](c1ccc([C@@H]2CCOC2)s1)c1cc(I)ccc1Br 2240437808 DMOCWVQIRBVKRI-RFAUZJTJSA-N 483.596 5.947 50 10 JKGE COc1c(C)cc(Br)cc1[C@H](Cl)c1cc(C)ccc1I 2241001533 PIRAMEMMZDRZEZ-OAHLLOKOSA-N 465.556 6.007 50 10 JKGE C[C@@H](Br)COCC#Cc1sc(Br)c(Br)c1Br 2246095898 HYBVIRRAMDDCOT-ZCFIWIBFSA-N 495.856 5.187 50 10 JKGE Brc1ccc([C@@H](Br)c2cc3sc(Br)cc3s2)o1 2252901271 PHLZYJUCPVFKNL-LLVKDONJSA-N 457.006 6.565 50 10 JKGE CCc1cc([C@H](Cl)c2cccc(Br)c2Br)sc1Br 2256064502 SHYSNNCWFRXRHK-GFCCVEGCSA-N 473.455 6.926 50 10 JKGE Cc1cc(F)c([C@@H](Br)c2ccc(Cl)c(I)c2)cc1F 2268274483 AMJJHKRQLLUEBU-AWEZNQCLSA-N 457.483 6.016 50 10 JKGE C=CC[C@@]1(CBr)CCCN1C(=O)c1scc(Br)c1Br 2272173316 MOKRYRBBXXHILK-ZDUSSCGKSA-N 472.040 5.219 50 10 JKGE C[C@@H](C[C@@H](Br)c1c(F)cc(Br)c(F)c1Br)C(F)(F)F 2272738933 JCLBFNPARXDEIA-CRCLSJGQSA-N 474.887 6.514 50 10 JKGE Cc1ccc([C@H](Br)Cc2cc(Br)cc(Br)c2)cc1F 2277963378 UFAXUBWOLLHBLG-CQSZACIVSA-N 450.971 6.338 50 10 JKGE COCC1([C@H](Br)c2cc(Br)ccc2Br)CC(F)(F)C1 2278204604 MJASCOGCQOVBHR-LLVKDONJSA-N 462.954 5.710 50 10 JKGE Clc1cc(Br)c([C@H](Br)[C@H]2COC3(CCC3)C2)c(Cl)c1Cl 2284738698 QCDHOWUTOGWXQQ-RDDDGLTNSA-N 463.424 6.805 50 10 JKGE COc1cc(C)c(Br)c(C)c1[C@@H](Br)c1cc(C)sc1Br 2285066079 QCHXDWXWMSITAT-AWEZNQCLSA-N 483.063 6.691 50 10 JKGE COc1c(C(C)C)cc(Br)cc1[C@@H](Br)c1cocc1Br 2285994063 SUGLKVDEFIJETD-CQSZACIVSA-N 466.995 6.421 50 10 JKGE C[C@@H](Br)CN(CCC(C)(C)C)C(=O)c1cc(Br)sc1Br 2288073458 FMBAABDPKOAEGR-SECBINFHSA-N 490.099 5.935 50 10 JKGE C[C@H](Br)CN(CCC(C)(C)C)Cc1cc(Br)ccc1Br 2288130503 KYNZXZJGIOACFE-LBPRGKRZSA-N 470.087 6.233 50 10 JKGE COc1cc(C=C(C#N)c2ccc(Cl)cc2)ccc1OC(=O)c1cc(OC)c(OC)c(OC)c1 2293175910 HRARMJLJTCWDBD-UHFFFAOYSA-N 479.916 5.658 50 10 JKGE Cc1ccc(OCCOc2ccc(C=C(C#N)C(=O)NCc3ccco3)cc2Br)cc1 2293188312 ISVXWSZJLQYVQD-UHFFFAOYSA-N 481.346 5.032 50 10 JKGE COc1c(Br)cc(Cl)cc1[C@H](Br)c1c(Br)c(C)nn1C 2295261884 CFYHXIIREYYVCS-NSHDSACASA-N 487.417 5.400 50 10 JKGE Cc1cc(Br)c([C@@H](Cl)c2cc3sc(Br)cc3s2)cc1Cl 2295406824 PYWPYKIXKQJOHJ-CQSZACIVSA-N 471.066 7.778 50 10 JKGE CC(C=NNC(=O)c1cc(-c2ccc(OCc3ccc(Cl)cc3)cc2)[nH]n1)=Cc1ccccc1 2296223415 LUFOECCYLINRJT-UHFFFAOYSA-N 470.960 6.128 50 10 JKGE N#CC(=Cc1ccc(N2N=C(c3ccccc3)C[C@H]2c2ccccc2)cc1)c1nc2ccccc2s1 2297612505 QOIWGUPMZWCCFI-LJAQVGFWSA-N 482.612 7.716 50 10 JKGE CC(C)(C)C(C)(C)[C@@H](Br)c1ccc(OCc2ccccc2)cc1Br 2299530146 JHBDTSQNEPZKIY-IBGZPJMESA-N 454.246 7.536 50 10 JKGE FC(F)C1CC([C@H](Br)c2ccc(OCc3ccccc3)cc2Br)C1 2299536274 XYUVYTZCOYJYKW-JRSKDTKFSA-N 460.156 6.755 50 10 JKGE Cc1cc([C@H](Br)c2cc(Br)ccc2OCc2ccccc2)ccc1Cl 2314491203 QIAHPABXNCHMQU-NRFANRHFSA-N 480.627 7.474 50 10 JKGE CCCOc1ccc(C=C(C#N)C(=O)Oc2ccc(C(=O)Nc3cc(C)ccc3C)cc2)cc1 2314737848 YUVNMQASIWEAIM-UHFFFAOYSA-N 454.526 5.857 50 10 JKGE CCCCOc1ccc(C=C(C#N)C(=O)Nc2ccc(CCCC)cc2Br)cc1 2314950962 AXFHXGGQMPURNI-UHFFFAOYSA-N 455.396 6.516 50 10 JKGE CC[C@@](C)(C(F)F)[C@@H](Br)c1cc(Br)c(Br)cc1F 2315001120 GMNAHWWWBHNZFC-CMPLNLGQSA-N 452.934 6.468 50 10 JKGE Cc1ccc(C=NNC(=O)CSc2nc(O)c3c(-c4ccc5c(c4)CCCC5)csc3n2)cc1 2320488264 WOONLRSTEJSJKB-UHFFFAOYSA-N 488.638 5.494 50 10 JKGE BrCC1(Cc2ccc(I)c(Br)c2)CCCCCC1 2325222873 UQPATALPEBQEKW-UHFFFAOYSA-N 486.029 6.332 50 10 JKGE N#CC(=CNc1ccc(N2CCCCC2)cc1)C(=O)Nc1ccccc1Sc1ccccc1 2325339243 CVVRTCSSXVZURQ-UHFFFAOYSA-N 454.599 6.286 50 10 JKGE CCCCCCCCCOc1ccc(C=C(C#N)c2nc(O)c3ccccc3n2)cc1OCC 2331030110 UEDFNVJVDADVLU-UHFFFAOYSA-N 459.590 6.928 50 10 JKGE N#CC(=C(O)c1ccc2c(c1)C(=O)N(Cc1ccco1)C2=O)c1nc(-c2ccccc2)cs1 2331305134 SEMMZNQLSBWZSK-UHFFFAOYSA-N 453.479 5.149 50 10 JKGE COc1cc(OC)c(-c2csc(C(C#N)=C(O)Cc3cccc4ccccc34)n2)cc1Cl 2331377603 QOBRPTWVOKDVMF-UHFFFAOYSA-N 462.958 6.669 50 10 JKGE N#CC(=C(O)COc1ccc(Cl)cc1Cl)c1nc(-c2cc(Cl)ccc2Cl)cs1 2331404682 XBELZJSOHOSNTD-UHFFFAOYSA-N 472.180 7.295 50 10 JKGE COc1ccc(-c2csc(C(C#N)=Cc3cc(Br)c(OC(C)C)c(OC)c3)n2)cc1C 2331429624 NEYFYCRIJZOZQC-UHFFFAOYSA-N 499.430 6.750 50 10 JKGE COc1cc(C=C(C#N)c2nc(-c3ccccc3Cl)cs2)ccc1OCc1ccc(C)cc1 2331430553 IRVMRMWMXCMSSN-UHFFFAOYSA-N 472.997 7.424 50 10 JKGE CCCCCOc1ccc(C=C(C#N)c2nc(-c3ccc4c(c3)OCCO4)cs2)cc1OCC 2331451251 HRIBAFVPXORQDZ-UHFFFAOYSA-N 476.598 6.613 50 10 JKGE CCCCOc1ccc(C=C(C#N)c2nc(-c3ccc(Oc4ccccc4)cc3)cs2)cc1OCC 2331464350 DFAFLTDWEFNZAW-UHFFFAOYSA-N 496.632 8.244 50 10 JKGE COc1cc(-c2csc(C(C#N)=Cc3ccc(OC(C)C)c(OC)c3)n2)c(OC)cc1Cl 2331470974 BAJJQUZASNJQKG-UHFFFAOYSA-N 470.978 6.341 50 10 JKGE CCCCOc1ccc(C=C(C#N)c2nc(-c3cc(Cl)c(OC)c(Cl)c3)cs2)cc1 2331480396 NUPWVUBWUGWNCR-UHFFFAOYSA-N 459.398 7.369 50 10 JKGE COc1c(Br)cc(C)c([C@H](Cl)c2ccc(Br)s2)c1Br 2339639945 SIYSLZVSOJOPTK-GFCCVEGCSA-N 489.454 6.681 50 10 JKGE CC(C)(C)c1ccc([C@@H](Br)c2ccc(Cl)cc2I)s1 2340065832 XCCQDJNYEHHZLM-AWEZNQCLSA-N 469.613 6.788 50 10 JKGE C[C@](CI)(OCc1cccc(I)c1)c1ccccc1 2341613021 YERSJSIXYLVYEO-MRXNPFEDSA-N 478.111 5.158 50 10 JKGE C[C@H](c1ccncc1F)[C@@H](Br)c1cc(Br)ccc1I 2344692429 MEHLKLMTUGSVKT-XLKFXECMSA-N 498.959 5.828 50 10 JKGE ClCc1ccc(Br)c(OCc2cc(I)ccc2Cl)n1 2352272505 GKMPDYMPVUMPCQ-UHFFFAOYSA-N 472.935 5.420 50 10 JKGE Cc1cc(Br)c(C(C)C)cc1[C@@H](Br)c1ccc(Br)o1 2352801314 FDVBWRSZBSFEBQ-OAHLLOKOSA-N 450.996 6.721 50 10 JKGE O=C(c1cc(Br)sc1Br)N1[C@H]2CCCC[C@H]2C[C@@H]1CBr 2358966373 BLAYLBCQKGKVIR-NGZCFLSTSA-N 486.067 5.441 50 10 JKGE Fc1c(Br)cc(Cl)c([C@@H](Cl)[C@@H]2CCCCC2(F)F)c1Br 2362241309 VXKYMPMQBBLURK-KGFZYKRKSA-N 454.939 7.110 50 10 JKGE COc1ccc(C[C@H](Cl)c2c(Cl)sc(Br)c2Cl)c(Br)c1 2364188064 IONRTXKGNLMFEO-VIFPVBQESA-N 479.448 7.111 50 10 JKGE Cc1cc(Br)c(F)c(Br)c1[C@@H](Br)Cc1ccccc1Cl 2365215654 MIXYPTONGUHPGI-JTQLQIEISA-N 485.416 6.991 50 10 JKGE COc1c(Br)cc(C)c([C@@H](Cl)c2cc(C)c(Cl)s2)c1Br 2365228581 QUBCPLHWOOAULX-LBPRGKRZSA-N 459.030 6.880 50 10 JKGE COc1c(Br)cc(C)c([C@H](Br)C2CC3(CCC3)C2)c1Br 2365238418 XSYCAGVPYIXODV-CYBMUJFWSA-N 467.039 6.545 50 10 JKGE CC(C)O[C@@H]1CCC[C@H]1Oc1c(Br)cc(Br)cc1CBr 2370920695 AOFDDWIODDVNTO-ZIAGYGMSSA-N 471.027 5.831 50 10 JKGE Cc1ccc(N2C(c3ccc(Cl)cc3)=CS/C2=C(\C#N)c2nc3ccccc3s2)cc1 3353111 AZDBXGPIXGEOHS-LKUDQCMESA-N 458.011 7.702 50 10 JKGE CCSc1ccsc1[C@@H]1C(C#N)=C(N)N(c2ccccc2[N+](=O)[O-])C2=C1C(=O)CCC2 4143452 XPKSGGVJKQWUFE-LJQANCHMSA-N 452.561 5.073 50 10 JKGE N#C/C(=C/c1c(OCc2ccc(Br)cc2)ccc2ccccc12)C(=O)NC1CCCCC1 22747345 IFTFMGIPOXRITQ-PGMHBOJBSA-N 489.413 6.537 50 10 JKGE Cc1c(/C=C(/C#N)S(=O)(=O)c2ccc(Cl)cc2)c2ccccn2c1C(=O)c1ccc(F)cc1 33434399 QYSCXSVYVINWPB-STZFKDTASA-N 478.932 5.610 50 10 JKGE N#C/C(=C/c1cn(-c2ccccc2)nc1-c1ccccc1)c1nc(-c2cccc([N+](=O)[O-])c2)cs1 33471750 SCKAOQKCJOHPBM-STZFKDTASA-N 475.533 6.635 50 10 JKGE COc1ccc(-c2nn(-c3ccccc3)cc2/C=C(/C#N)c2nc(-c3ccc(F)cc3)cs2)cc1 33746038 AYZVBZYHEFBYOT-QNGOZBTKSA-N 478.552 6.875 50 10 JKGE Cc1ccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)[C@@H](C)Oc4ccc(C(C)C)cc4)ccc32)o1 38659366 CRAFMSICPNLNGL-NSYGIPOTSA-N 458.514 5.303 50 10 JKGE Cc1c(C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@H]3c2c(F)cccc2Cl)oc2ccccc12 38700593 BYDQTDKGXHHUBS-QFIPXVFZSA-N 474.875 5.971 50 10 JKGE CCCCc1ccc(NC(=O)c2oc3c(c2C)/C(=N/NC(=O)c2ccc([N+](=O)[O-])cc2)CCC3)cc1 40812165 WHIAUGYRSROJAL-QUPMIFSKSA-N 488.544 5.562 50 10 JKGE CCOc1ccc(CCC(=O)Oc2ccc(/C=C(\C#N)c3ccc(Cl)cc3)cc2OC)cc1OC 41000124 MDMQGCAMCMQTCO-PXLXIMEGSA-N 491.971 6.358 50 10 JKGE CCc1sc(NC(=O)/C(C#N)=C/c2ccc(C(C)C)cc2)nc1-c1ccc(Br)cc1 41013177 VERRPBOIFSDOMX-CPNJWEJPSA-N 480.431 6.804 50 10 JKGE N#C/C(=C/c1ccc(OCC(=O)Nc2ccc(OC(F)F)cc2)cc1)c1nc2ccccc2[nH]1 50568401 FQPCVMQIYAAULC-LGMDPLHJSA-N 460.440 5.246 50 10 JKGE CCCN(CCC)c1ccc(C(=O)N/N=C/c2cc(Br)cc(Br)c2O)cc1 59154908 HAZFIFKRPIBITD-YDZHTSKRSA-N 497.231 5.308 50 10 JKGE CC(C)(C)[C@H]1CCc2nc(NC(=O)/C(C#N)=C\c3ccc(-c4ccc(Cl)cc4)o3)sc2C1 96022368 LGEVCIOOVXTHIX-WBILKINKSA-N 466.006 6.753 50 10 JKGE C[C@H](Cl)c1nc2cc(Br)c(F)cc2n1Cc1ccc(Br)s1 97399405 FUQUIVYUAJQHAH-ZETCQYMHSA-N 452.574 6.110 50 10 JKGE CCCOc1ccc([C@H](C(=O)NC2CCC(C)CC2)N(Cc2ccco2)C(=O)CCl)cc1OC 97914800 DCBAYAAOXOQPQK-NOKYJCPASA-N 491.028 5.081 50 10 JKGE CCc1ccc(N2C(=O)[C@H](Cc3cccc(C)c3)S/C2=C(/C#N)C(=O)Nc2ccccc2OC)cc1 101246406 YMAPDKWHFZKBAD-TUJXDINHSA-N 497.620 5.631 50 10 JKGE CC1=C(C#N)C(=O)N(CCCOC(C)C)C(=O)/C1=C/c1ccc(-c2ccc(Br)cc2)o1 101336283 MMVPXTMSGGNXRI-DEDYPNTBSA-N 483.362 5.116 50 10 JKGE CCCCCCCOc1ccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4cccc(C)c4)ccc32)cc1 101377605 RQMQPVNHGSIIMO-GDLZYMKVSA-N 496.607 6.782 50 10 JKGE CCCCCCCCCCCCNC(=O)[C@H]1CCCC[C@@H]1C(=O)OC(CCl)CCl 104738634 NVEHSRTYBAHFPB-SFTDATJTSA-N 450.491 6.219 50 10 JKGE COc1cc(C)c(Br)cc1[C@@H](Cl)c1cccc(I)c1 115069851 DGRNSSOHYKRJMY-HNNXBMFYSA-N 451.529 5.699 50 10 JKGE CCCOc1ccccc1/C=C(/C#N)C(=O)Nc1cc(OC)c(NC(=O)c2ccccc2)cc1OC 206987233 WQPVWDCPHLPOGW-QNGOZBTKSA-N 485.540 5.291 50 10 JKGE C=CCOc1ccc(-c2nn(-c3ccccc3)cc2/C=C2\C(=O)N(C(C)C)C(=O)C(C#N)=C2C)c(C)c1 214248668 DUEFBPGJPXYZQF-QQXSKIMKSA-N 492.579 5.413 50 10 JKGE CC[C@@H](NC(=O)/C(C#N)=C\Nc1ccccc1Sc1ccccc1)c1ccc2c(c1)CCCC2 217189855 TWMSGSFRGPBCBB-DKTMBNMKSA-N 467.638 6.803 50 10 JKGE CCCOc1ccc([C@@H](Br)c2ccc(F)cc2Br)cc1Br 229007225 SQTYNDCVVVNLDI-MRXNPFEDSA-N 480.997 6.624 50 10 JKGE CC(C)(C)[C@H]1CC2=C(OC(N)=C(C#N)[C@@H]2c2ccc(Cl)cc2)/C(=C\c2ccc(Cl)cc2)C1 229785691 PKPNCDBPQDISDP-ZQZYOQANSA-N 465.424 7.595 50 10 JKGE CCOc1ccc(Br)cc1[C@@H](Br)c1cc(Cl)cc(Br)c1 233778780 IJDVPYCVSDJROS-HNNXBMFYSA-N 483.425 6.748 50 10 JKGE CCc1ccc(CC)c([C@H](Br)c2cc(Br)sc2Br)c1 234183687 LOLWNRKZYNFQLL-AWEZNQCLSA-N 467.064 6.882 50 10 JKGE Cc1cc(Br)c([C@H](Cl)c2ccc(Cl)c(Br)c2)cc1Br 235824012 ICBVAIHYXVBPDL-CQSZACIVSA-N 487.844 7.264 50 10 JKGE Fc1ccc([C@H](Br)c2cc(Br)ccc2I)cc1 236244694 LSDSGJBHMLVVBX-ZDUSSCGKSA-N 469.917 5.677 50 10 JKGE O=C(NN=Cc1ccccc1Oc1ccccc1)c1cc(-c2ccc3c4c(cccc24)CC3)n[nH]1 254517636 LTZNPXLHYIMPBR-UHFFFAOYSA-N 458.521 5.885 50 10 JKGE Cc1cc([C@H](Br)c2c(C)cc(C)c(Br)c2C)sc1Br 305949221 COIPVVCOPHYSIS-AWEZNQCLSA-N 467.064 6.991 50 10 JKGE Cc1sc([C@@H](Br)c2ccc(OCc3ccccc3)cc2)cc1Br 381936920 VEUQUHLTNGPEJS-IBGZPJMESA-N 452.211 6.882 50 10 JKGE Clc1ccc(Br)c(C[C@H](CBr)c2ccc(Br)cc2)c1 388743904 LOPAGGXUHHSOGU-GFCCVEGCSA-N 467.426 6.586 50 10 JKGE Cc1cccnc1CCOc1c(Br)cc(CBr)cc1Br 404857925 SQZXITRNGCAESM-UHFFFAOYSA-N 463.995 5.431 50 10 JKGE O=C(Cl)N(C(=O)CCl)c1ccc(Cl)cc1C(=NO)c1ccccc1OC(F)(F)F 575328910 LXPUEXFZEYWWPK-UHFFFAOYSA-N 469.630 5.396 50 10 JKGE CC(C)(C)[Si](C)(C)OCCc1cccc([C@H]2CN(CCO[Si](C)(C)C(C)(C)C)CCO2)c1 616647727 ZJPDNWJNBXXWID-XMMPIXPASA-N 479.854 6.646 50 10 JKGE CC(C)(C)OC(=O)N1c2ccccc2CC[C@@H]1c1ccc(CO[Si](C)(C)C(C)(C)C)cc1 616669673 RIWYTWANEHXDBZ-XMMPIXPASA-N 453.699 7.637 50 10 JKGE CC1(C)C[C@H](Br)C[C@@H](NC(=O)c2cc(Br)ccc2Br)C1 693897490 SZFXBSSCRVRZFY-GHMZBOCLSA-N 468.027 5.284 50 10 JKGE Brc1ccoc1[C@@H](Br)c1cc(I)cc2c1OCC2 696513088 IBQVYACIZRDLIC-NSHDSACASA-N 483.925 5.066 50 10 JKGE C[C@@H]1CC[C@](C)([C@H](Br)c2cc(Br)c(Br)s2)C1(C)C 699052508 QRTBDDRUONWLHD-XPLICSAQSA-N 459.085 7.172 50 10 JKGE Cc1ccc([C@@H](Br)c2cc(Br)ccc2Cl)c(C)c1Br 719534080 FNVZJOYCFTXUGK-OAHLLOKOSA-N 467.426 6.966 50 10 JKGE C=CCc1cc(C=NNC(=O)CC[C@H](O)c2ccccc2)cc(OCC)c1OCc1ccccc1F 725398245 LBCOAZDEPIMNGI-SANMLTNESA-N 490.575 5.496 50 10 JKGE O=C(CSc1nnc(-c2cccnc2)n1-c1ccccc1)NN=C(c1ccccc1)c1cccs1 1084107923 HAKGCTBLUGRXBV-UHFFFAOYSA-N 496.621 5.052 50 10 JKGE COc1cc(C=NNC(=O)c2ccc(-n3c(C)ccc3-c3ccccc3)cc2)cc(OC)c1OC 1084182496 VHKAOEURSHBHGZ-UHFFFAOYSA-N 469.541 5.242 50 10 JKGE Cc1c(C=NNC(=O)c2ccccc2Br)c2ccccc2n1Cc1ccccc1Cl 1084203450 YNWFGLQJTRHZRF-UHFFFAOYSA-N 480.793 6.178 50 10 JKGE C=CCn1c(CNc2ccc(Cl)cc2)nnc1SCC(=O)NN=Cc1cccc2ccccc12 1084318524 SMNZGJBMLMGKLV-UHFFFAOYSA-N 491.020 5.125 50 10 JKGE O=C(COc1ccc(Cl)cc1)NN=Cc1ccc(SCC(=O)Nc2ccc3ccccc3c2)o1 1084377941 VLVRVXAHGYHFNU-UHFFFAOYSA-N 493.972 5.346 50 10 JKGE C=CCc1cc(/C=C(\C#N)C(=O)Nc2ccc(C)cc2)ccc1OCc1ccc(Cl)cc1Cl 1084489155 KIOBFGAEQIPCRH-HYARGMPZSA-N 477.391 7.155 50 10 JKGE CCOc1cc(C=NNC(=O)CC[C@H](O)c2ccccc2)ccc1OCc1ccc2ccccc2c1 1084563423 SFNAZCBYPZSQFZ-MHZLTWQESA-N 482.580 5.781 50 10 JKGE CCCCCOc1ccc(C=NNC(=O)COc2c(C)cc(Br)cc2C)cc1OC 1772753316 QBAMDQWOAIQEDT-UHFFFAOYSA-N 477.399 5.173 50 10 JKGE CCCc1nn(-c2ccc(OC)cc2)c2c1[C@H](c1c(OC)ccc3ccccc13)C(C#N)=C(N)O2 1865687929 DGLZDWUBTOJGKA-VWLOTQADSA-N 466.541 5.213 50 10 JKGE CCOc1ccc([C@@H]2C(C#N)=C(N)Oc3c2c(-c2ccccc2)nn3-c2ccc(C)cc2)cc1OC 1865694776 BGYJHRQPSAAFAD-RUZDIDTESA-N 478.552 5.473 50 10 JKGE CCN(CC)c1ccc([C@H]2C(C#N)=C(N)Oc3c2c(-c2ccccc2)nn3-c2ccc(C)cc2)cc1 1865702687 ZGCOJTBXOKWPDU-SANMLTNESA-N 475.596 5.912 50 10 JKGE CCc1cccc(CC)c1N1C[C@@H](/C(O)=C(\C#N)c2nc(-c3ccc(C)cc3C)cs2)CC1=O 1872748559 CJAKXTQHCRSEGB-GYSBHSFWSA-N 471.626 6.398 50 10 JKGE COc1cc(/C(O)=C(\C#N)c2nc(-c3ccc(Oc4ccccc4)cc3)cs2)cc(OC)c1OC 1872753979 XAJBQHNBXRHMDV-DAFNUICNSA-N 486.549 6.578 50 10 JKGE COc1c(C)cc(Cl)cc1-c1csc(/C(C#N)=C(\O)c2ccc3nc(C)c(C)nc3c2)n1 1872757273 YEDDXYFPSQRMRI-PYCFMQQDSA-N 462.962 6.290 50 10 JKGE COc1cc(/C=C(\C#N)c2nc(-c3cccc(Br)c3)cs2)ccc1OC(C)C 1872784086 BQDVXWMJOCUXKZ-RQZCQDPDSA-N 455.377 6.433 50 10 JKGE COc1cc(/C=C(\C#N)c2nc(-c3cccc(Cl)c3)cs2)cc(Br)c1OC(C)C 1872790056 HTHRUUFHAXIMFA-FRKPEAEDSA-N 489.822 7.086 50 10 JKGE CCCCCOc1ccc(/C=C(\C#N)c2nc(-c3ccc(OCCC)cc3)cs2)cc1OC 1872791132 XQMLSLKEYMRSGP-CJLVFECKSA-N 462.615 7.241 50 10 JKGE CCCOc1c(/C=C(\C#N)c2nc(-c3cc(OCC)ccc3OCC)cs2)cccc1OC 1872792736 PCJYCSOJHZFHHI-XMHGGMMESA-N 464.587 6.469 50 10 JKGE COc1cc(-c2csc(/C(C#N)=C/c3ccc(Cl)cc3Cl)n2)c(OC)cc1Cl 1872793888 ZHKOSPXUHHPZNA-LFYBBSHMSA-N 451.762 6.852 50 10 JKGE C[C@H](CCCl)N(Cc1ccccc1)S(=O)(=O)c1ccc(Cl)c(Br)c1 1915069446 KQBROLBKBKHLPA-CYBMUJFWSA-N 451.213 5.311 50 10 JKGE CC[C@H](Br)CN(Cc1ccccc1)C(=O)c1ccc(Cl)cc1Br 1915079352 AZVHRASOMZLVSZ-AWEZNQCLSA-N 459.609 5.918 50 10 JKGE Cc1sc(Br)cc1C(=O)N(Cc1ccccc1)[C@H](CBr)C(C)C 1915298593 VHQVSBHSRKTRTA-MRXNPFEDSA-N 459.247 5.881 50 10 JKGE Cc1c(Br)sc([C@H](Br)[C@@H]2C[C@@H]3CCCC[C@@H]32)c1Br 1922931010 YFSQSBKZVUKBHY-UXCLJVHYSA-N 457.069 6.844 50 10 JKGE Brc1cc(Br)c([C@H](Br)[C@@H]2CC[C@@H]3CCCC[C@H]3C2)s1 1922955021 VIWFGXUDMPXAAY-KZWBYHQPSA-N 471.096 7.316 50 10 JKGE CC(C)(F)C[C@@H](Br)c1c(Br)sc(Br)c1Br 1924569842 AYBOPFUIICRQJZ-SCSAIBSYSA-N 487.852 6.610 50 10 JKGE COc1sccc1[C@@H](Cl)c1c(Br)sc(Br)c1Br 1924570740 MKFHKLVUGINEOO-SSDOTTSWSA-N 481.456 6.434 50 10 JKGE Fc1ccc([C@@H](Br)c2c(Cl)sc(Cl)c2Cl)cc1Br 1925586859 DNUKFJZFBVDOTR-MRVPVSSYSA-N 453.385 7.094 50 10 JKGE CCN(C[C@@](C)(CI)O[C@@H]1CC[C@H]2CC[C@@H]1C2)C(=O)OC(C)(C)C 1947119616 BZYOLKSGHLLMDH-YKTARERQSA-N 451.389 5.032 50 10 JKGE BrCc1cc(Br)ccc1N1CCCN(Cc2ccccc2)CCC1 1947192361 XMRBTPKEFHXFEH-UHFFFAOYSA-N 452.234 5.446 50 10 JKGE Cc1ccc([C@@H](Br)c2sc(Cl)cc2Br)c(Br)c1 1948829355 SLVOYMSXIIPYCJ-LLVKDONJSA-N 459.428 6.719 50 10 JKGE CC(C)[C@H](CBr)N(Cc1ccccc1)C(=O)c1cc(Br)c(Cl)s1 1981400898 CTTYXXYTISWKAV-AWEZNQCLSA-N 479.665 6.226 50 10 JKGE CC(C)(C)N(Cc1ccccc1)S(=O)(=O)c1cc(Cl)cc(CBr)c1Cl 2059314398 KNKNHWQGFXOVIX-UHFFFAOYSA-N 465.240 5.878 50 10 JKGE Cc1cc(Br)cc(CBr)c1OCc1csc(Br)c1 2084090413 UEJIPNMGJGUGNF-UHFFFAOYSA-N 455.009 6.055 50 10 JKGE Cc1cc([C@H](Br)Cc2ncccc2Br)ccc1I 2086040244 WHMKZDWSLVTNAE-GFCCVEGCSA-N 480.969 5.436 50 10 JKGE BrCc1cc(Br)cc(Br)c1OCC1[C@@H]2CCCC[C@@H]12 2093712542 ALWIGOUUWFGCJR-VXGBXAGGSA-N 453.012 5.922 50 10 JKGE C[C@@H]1CCCN(C(=O)c2csc(Br)c2Br)[C@@H]1CCBr 2093944872 RACWBPRIZAGRTD-PSASIEDQSA-N 474.056 5.299 50 10 JKGE FC1(F)CC2(CC([C@H](Cl)c3c(Br)sc(Br)c3Cl)C2)C1 2102619597 IRCKLINVTAIGQZ-ZETCQYMHSA-N 454.989 7.032 50 10 JKGE C[C@H](Cl)c1nc2cc(Br)c(Cl)cc2n1C(C)(C)COCc1ccccc1 2103811755 CACOVLKJJAKTEW-ZDUSSCGKSA-N 456.211 6.704 50 10 JKGE O=C(NC1(CBr)CC2(CCC2)C1)c1cc(Br)sc1Br 2107263200 UODVHWJECWCEGG-UHFFFAOYSA-N 472.040 5.101 50 10 JKGE COC[C@@H]1CC[C@H](Cc2c(Br)cccc2Br)C[C@H]1Br 2127210599 NMXZYLUBPXUORF-JRPNMDOOSA-N 455.028 5.580 50 10 JKGE Cc1cc(Br)c(C)c([C@@H](Br)[C@H](C)CC(C)(C)C)c1Br 2136366592 JNYGGWOLZBRAPN-BMIGLBTASA-N 455.072 7.337 50 10 JKGE ClC[C@H](Cc1ccc(Br)cc1)Cc1c(Br)cccc1Br 2150495383 MKBWOSNHNIXAMJ-GFCCVEGCSA-N 481.453 6.614 50 10 JKGE ClC[C@@H](Cc1ccc(Br)cc1)Cc1c(Br)cccc1Br 2150495385 MKBWOSNHNIXAMJ-LBPRGKRZSA-N 481.453 6.614 50 10 JKGE Oc1nc2cc([C@@H](Cl)c3cc(Br)c(Cl)s3)c(Br)cc2[nH]1 2172569508 NVHZWTZQERSPAG-SNVBAGLBSA-N 456.974 5.837 50 10 JKGE Brc1cccc([C@@H](CI)O[C@@H]2COC3(CCCC3)C2)c1 2189461976 LZIRXGNOWRDMOO-LSDHHAIUSA-N 451.142 5.044 50 10 JKGE Cc1cc(C)c([C@@H](Br)c2c(Br)c(C)nn2C)c(C)c1Br 2192372882 HCFKUOQIEXIVHS-CQSZACIVSA-N 465.027 5.663 50 10 JKGE CCc1cscc1[C@H](Br)c1cc(Br)c(Br)cc1F 2218603021 ILOFHPMIBFDWMA-CYBMUJFWSA-N 457.000 6.459 50 10 JKGE Cc1sc([C@@H](Br)c2ccc(F)c(Br)c2F)cc1Br 2218969034 MUTKTUAYPHORJY-JTQLQIEISA-N 460.963 6.344 50 10 JKGE Cc1sc([C@H](Br)c2ccc(F)c(Br)c2F)cc1Br 2218969036 MUTKTUAYPHORJY-SNVBAGLBSA-N 460.963 6.344 50 10 JKGE Brc1csnc1[C@H](Br)c1ccc2c(c1Br)CCO2 2222196751 WYAXEYXWRHRKPQ-LLVKDONJSA-N 453.981 5.087 50 10 JKGE COC[C@@H]1CC[C@H](c2sc(Br)c(Br)c2Br)C[C@@H]1Cl 2222476009 WVZZVVZAZKWKSP-FXQIFTODSA-N 481.475 6.173 50 10 JKGE Cc1cc(Cl)cc([C@@H](Br)c2cc(Br)c(Br)cc2F)c1 2225616191 DCTRAOSVPVBBAH-CQSZACIVSA-N 471.389 6.797 50 10 JKGE CCCN[C@@H](c1c(Br)cc(C)c(Br)c1C)C1CC(Br)C1 2235603768 KPNCMZXCQHTJOT-ZEPSKSRBSA-N 468.071 6.043 50 10 JKGE Cc1cc([C@@H](Br)c2scc(Br)c2Cl)c(C)cc1Br 2253605302 UQCHOJRRGZCWEX-LLVKDONJSA-N 473.455 7.028 50 10 JKGE CC(C)c1cc(Br)cc([C@H](Br)c2cc(Br)c(Cl)s2)c1 2265967420 OQSJUDZWXUXYHU-ZDUSSCGKSA-N 487.482 7.534 50 10 JKGE CCc1cc([C@@H](Br)c2cc(Cl)c(C)c(Br)c2)sc1Br 2267753722 JEOIBELQRAXOGW-ZDUSSCGKSA-N 487.482 7.282 50 10 JKGE Cc1cc([C@H](Br)c2ccc(Cl)c(I)c2)cc(C)c1F 2268280447 PVQYGQRDKFODAV-CQSZACIVSA-N 453.520 6.185 50 10 JKGE Cn1ncc(Br)c1[C@@H](Cl)c1c(F)cc(Br)c(F)c1Br 2272737519 DLOHKIDTAWOTIG-VIFPVBQESA-N 479.344 5.314 50 10 JKGE COc1ccc([C@@H](Br)c2ccc(F)c(Br)c2)c(Br)c1Cl 2283564830 WAKKGAVNLAGXHK-LBPRGKRZSA-N 487.388 6.497 50 10 JKGE Clc1ccc([C@@H](Cl)c2cc3c(cc2Br)OCC3)cc1I 2283584375 YEYGQYADVAONIH-OAHLLOKOSA-N 483.958 5.970 50 10 JKGE CCCCCCOc1ccc(C=C(C#N)C(=O)Nc2ncc(Cc3ccc(C)cc3)s2)cc1OC 2293038912 HGBABEPYDRDEDB-UHFFFAOYSA-N 489.641 6.556 50 10 JKGE Cc1cc(Br)c(F)c([C@H](Cl)c2cc3sc(Br)cc3s2)c1 2295506049 IPJMYFJESFZZKM-ZDUSSCGKSA-N 454.611 7.264 50 10 JKGE COc1ccc(NC(=O)C(C#N)=Cc2ccc(COc3c(Cl)cc(Cl)cc3Cl)o2)cc1 2295672247 GGXGIZSSZFBPQN-UHFFFAOYSA-N 477.731 6.373 50 10 JKGE COc1ccc(-c2csc(C(C#N)=CNc3cc4oc5ccccc5c4cc3OC)n2)cc1 2295945845 GPFIESZXPSCVRZ-UHFFFAOYSA-N 453.523 6.703 50 10 JKGE Cc1ccc(C[C@H]2SC(=C(C#N)C(=O)Nc3ccc(C)cc3)N(c3ccccc3)C2=O)cc1 2296506820 GPMSFHKLFMHANB-XMMPIXPASA-N 453.567 5.368 50 10 JKGE CCOC(=O)c1ccc(NC=C(C#N)c2nc(-c3cccc(Br)c3)cs2)cc1 2296798445 VKCSFJJPSMMGNI-UHFFFAOYSA-N 454.349 5.726 50 10 JKGE Cc1ccc(NC(=O)C(C#N)=Cc2c(Oc3cccc(C)c3C)nc3c(C)cccn3c2=O)cc1 2296846426 LBYIFURSARXLHO-UHFFFAOYSA-N 464.525 5.266 50 10 JKGE Cc1ccc(NC(SCc2cccc(Br)c2)=C(C#N)C(=O)NCc2ccco2)cc1C 2297414536 FJJSFSQFFPBAIT-UHFFFAOYSA-N 496.430 6.056 50 10 JKGE COC(=O)c1ccc(COc2ccc(C=C(C#N)C(=O)Nc3cccc4ncccc34)cc2)cc1 2297488354 KDAREMLPILFYBC-UHFFFAOYSA-N 463.493 5.146 50 10 JKGE COc1c(Br)cc(C=C(C#N)C(=O)Nc2c(C)cccc2C)cc1Br 2297551590 SQQPEZPSWQBMJS-UHFFFAOYSA-N 464.157 5.383 50 10 JKGE FC(F)(F)[C@@H]1C[C@@H]1[C@H](Br)c1cc(Br)ccc1OCc1ccccc1 2299504166 LJATZRUCMKFYDY-LXZKKBNFSA-N 464.119 6.663 50 10 JKGE FC(F)(F)C1([C@H](Br)c2sc(Cl)cc2I)CCC1 2301085918 JFWSGRZHVQYACU-MRVPVSSYSA-N 459.496 6.175 50 10 JKGE O=C(N[C@H](CCBr)COCc1ccccc1)c1cc(Cl)cc(Br)c1 2303540585 SGCHCJAUSQXYDX-QGZVFWFLSA-N 475.608 5.203 50 10 JKGE COc1cc(C=C(C#N)c2nc(-c3ccc(F)cc3)cs2)ccc1OCC(=O)Nc1nccs1 2314487220 FQIGONBUUTUFFU-UHFFFAOYSA-N 492.557 5.496 50 10 JKGE FC1(F)[C@@H]2COC[C@]21[C@H](Br)c1ccc(OCc2ccccc2)cc1Br 2314497340 JNHFIKPLDMMNLA-KZNAEPCWSA-N 474.139 5.746 50 10 JKGE Brc1cc(OCc2ccccc2)ccc1[C@@H](Br)[C@H]1CC2CCC1CC2 2314500447 NLNOMAASJOOZCO-LQVIGCJKSA-N 464.241 7.290 50 10 JKGE CCOC(=O)c1c(NC(=O)C(C#N)=Cc2ccc(-c3ccccc3F)o2)sc2c1CC[C@@H](C)C2 2314571808 MINYCYDXONVDSI-OAHLLOKOSA-N 478.545 5.994 50 10 JKGE N#CC(=Cc1ccc(-c2c(Cl)cccc2Cl)o1)C(=O)Nc1ccccc1C(F)(F)F 2314572344 YWGCKBAZZOLAFQ-UHFFFAOYSA-N 451.231 6.818 50 10 JKGE COc1cc(C=C2C(=O)N(C3CCCCC3)C(=O)C(C#N)=C2C)ccc1OCc1ccc(F)cc1 2314617203 SSDOQVUFVHPJQD-UHFFFAOYSA-N 474.532 5.338 50 10 JKGE CCCCOc1ccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)C=Cc4ccccc4)ccc32)cc1OC 2314634625 PRAJLHROTUMBNG-GDLZYMKVSA-N 496.563 5.711 50 10 JKGE COc1cc(C=C(C#N)c2ccc(Cl)cc2)ccc1OC(=O)COc1cccc(Cl)c1 2314720425 NZUJCMVABPKUTM-UHFFFAOYSA-N 454.309 6.051 50 10 JKGE COCC1([C@H](Br)c2c(Cl)cc(Br)c(F)c2Br)CC1 2315442068 OYLYMQXEBOBOMJ-LLVKDONJSA-N 465.382 5.867 50 10 JKGE Fc1c(Br)cc(Cl)c([C@@H](Br)[C@@H]2[C@H]3CCC[C@H]32)c1Br 2315445720 AABAAMFLJJNZTN-QUYDWZKXSA-N 461.394 6.486 50 10 JKGE Fc1c(Br)cc(Cl)c([C@H](Br)[C@@H]2CC23CCC3)c1Br 2315459465 BCBUHNXSNPXRHX-QUBYGPBYSA-N 461.394 6.630 50 10 JKGE COc1ccc(C[C@H](Br)c2ccc(Br)s2)c(Br)c1 2316850650 DFTBYJRAMMPIOI-NSHDSACASA-N 455.009 5.960 50 10 JKGE CC(C)[C@H](CBr)N(Cc1ccccc1)C(=O)c1cc(F)c(Br)cc1O 2317272099 SFQRNKNOJHZULQ-KRWDZBQOSA-N 473.180 5.356 50 10 JKGE Cc1cc(I)ccc1NC(=O)C(C#N)=CNc1cccc2ccccc12 2318462300 GFMAMERSVGUXPM-UHFFFAOYSA-N 453.283 5.211 50 10 JKGE C[C@@]12CC3CC(C(=O)NN=Cc4cccc(OCc5ccc(Cl)cc5)c4)(C1)C[C@](C)(C3)C2 2323138698 FXNHGWBSABXQIF-AEXOJCPESA-N 451.010 6.366 50 10 JKGE CC(C)(C)c1cc(C=NNC(=O)c2nn(-c3ccccc3)c3c2CCC3)cc(C(C)(C)C)c1O 2323759341 MUGGPLIOGKSPEN-UHFFFAOYSA-N 458.606 5.426 50 10 JKGE CCCCCCCCCOc1ccc(C=C(C#N)c2cc3c(cc2[N+](=O)[O-])OCCO3)cc1Cl 2331051483 ABGWTSFJEPOXSU-UHFFFAOYSA-N 484.980 7.213 50 10 JKGE C[C@@H](Oc1ccc(Cl)cc1Cl)C(O)=C(C#N)c1nc(-c2ccc3c(c2)CCCC3)cs1 2331240247 MXRGRJWHCQYCBA-CQSZACIVSA-N 471.409 7.256 50 10 JKGE CC(C)C[C@@H](C(O)=C(C#N)c1nc(-c2ccc([N+](=O)[O-])cc2)cs1)N1C(=O)c2ccccc2C1=O 2331281137 KUVHSKYRUUFRNN-NRFANRHFSA-N 488.525 5.222 50 10 JKGE COc1ccc(C=CC(O)=C(C#N)c2nc(-c3ccc(Cl)c(Cl)c3)cs2)c(OC)c1 2331311427 FWWGYOPUVCQKBH-UHFFFAOYSA-N 459.354 6.640 50 10 JKGE COc1ccc(C(C)(C)C)cc1-c1csc(C(C#N)=C(O)c2ccc(Cl)c([N+](=O)[O-])c2)n1 2331350982 IEXWYEXODSMHBP-UHFFFAOYSA-N 469.950 6.628 50 10 JKGE COc1cc(C)c(-c2csc(C(C#N)=C(O)CNC(=O)c3ccc(Cl)cc3)n2)cc1C(C)C 2331353834 BLMFTBZDUZFOOR-UHFFFAOYSA-N 482.005 6.127 50 10 JKGE COc1c(C)cc(Cl)cc1-c1csc(C(C#N)=C(O)CCCOc2ccc3ccccc3c2)n1 2331392323 QQGZIJOUBCAYNZ-UHFFFAOYSA-N 491.012 7.586 50 10 JKGE Cc1ccc(C(C)(C)C)cc1-c1csc(C(C#N)=C(O)c2ccccc2C(=O)c2ccccc2)n1 2331396298 JLYXQSFALWMUHU-UHFFFAOYSA-N 478.617 7.597 50 10 JKGE COc1ccc(Cl)cc1C(O)=C(C#N)c1nc(-c2ccc(OC)c(OC)c2OC)cs1 2331412563 JWARMAIABZAEMY-UHFFFAOYSA-N 458.923 5.448 50 10 JKGE COc1cccc(C=C(C#N)c2nc(-c3ccc(F)cc3)cs2)c1OCc1cccc(C)c1 2331459758 RVQVYQXXTFJRSH-UHFFFAOYSA-N 456.542 6.909 50 10 JKGE COc1ccc(-c2csc(C(C#N)=Cc3ccc(OCc4ccccc4C)cc3)n2)c2ccccc12 2331489945 NBHZHKZANPWLPI-UHFFFAOYSA-N 488.612 7.924 50 10 JKGE COc1ccc(Cl)cc1-c1csc(C(C#N)=Cc2ccc(OCc3ccc(Cl)cc3)cc2)n1 2331491684 CSFLJWPFAAHPTN-UHFFFAOYSA-N 493.415 7.769 50 10 JKGE Fc1c(Br)cc(Cl)c([C@H](Br)[C@H]2CCC3(CC3)C2)c1Br 2337094619 RBNGKVZPHUTBRS-WRWORJQWSA-N 475.421 7.020 50 10 JKGE Fc1c(Br)cc(Cl)c([C@H](Br)[C@H]2CCC23CCC3)c1Br 2337095007 VMWAZYUYBFHGTH-RDDDGLTNSA-N 475.421 7.020 50 10 JKGE FC(F)(F)c1ccccc1[C@@H](Br)c1sc(Cl)cc1I 2338558994 REXASGHADJOWFR-SNVBAGLBSA-N 481.502 6.509 50 10 JKGE CCCOc1cccc([C@@H](Br)c2sc(Cl)cc2I)c1 2338630438 MVARHJREZUGIHK-CYBMUJFWSA-N 471.585 6.279 50 10 JKGE Cc1cc(Br)c(F)c(Br)c1[C@H](Br)[C@H]1C[C@@H]1C1CCC1 2339658473 IOZOPXBIIJZMQD-GBIKHYSHSA-N 455.003 6.531 50 10 JKGE Cc1cc(Br)c(F)c(Br)c1[C@H](Br)[C@@H]1C[C@]12CC2(F)F 2339687656 YEMSKHVNNAHFLN-RMUHFYJVSA-N 462.929 6.140 50 10 JKGE O=C(Nc1ccc(CBr)c(F)c1)c1csc(Br)c1Br 2341920253 PQHQHWCGWJGFPP-UHFFFAOYSA-N 471.971 5.559 50 10 JKGE Brc1cc(CN2CC[C@]3(CCC[C@@H]3Br)C2)ccc1I 2349834331 KGQDHDCDSROGMP-LSDHHAIUSA-N 499.028 5.193 50 10 JKGE Fc1cc(Br)c(Br)cc1[C@@H](Br)[C@@H]1[C@@H]2[C@H]1CCCC2(F)F 2358560004 DSBYHKHKSBJXNV-RDSMEJIFSA-N 476.956 6.468 50 10 JKGE Brc1ccc(OCc2ccccc2)c([C@H](Br)[C@@H]2C[C@H]2C2CCCCCC2)c1 2361170778 GTGQHBXIWVFBRU-YZUZCNPQSA-N 492.295 8.071 50 10 JKGE Cc1nc(Br)c([C@H](Br)c2c(Br)cc(F)c(F)c2F)n1C 2362483334 OOZKZSWKJFKNMI-MRVPVSSYSA-N 476.916 5.155 50 10 JKGE Cc1cccc(Br)c1[C@@H](Cl)c1c(C)cc(Br)c(F)c1Br 2365189224 SJPIGWGUNBPBSA-CQSZACIVSA-N 485.416 7.058 50 10 JKGE CN(Cc1ccc(Cl)cc1I)[C@H](CBr)c1ccccc1 2366722676 MFBMQYIBYSEVMU-MRXNPFEDSA-N 464.572 5.513 50 10 JKGE N#C/C(=C/c1ccc2c(c1)OCO2)C(=O)Nc1cccc(C(=O)Nc2cccc(C(F)(F)F)c2)c1 4482530 OSBRCPXDSIKZQB-MFOYZWKCSA-N 479.414 5.232 50 10 JKGE CCOC(=O)c1c(NC(=O)/C(C#N)=C\c2cn(CCC#N)c3ccccc23)sc2c1CC[C@@H](C)C2 34388666 LQBRVHKIPCXOEJ-OLCHLOJWSA-N 486.597 5.464 50 10 JKGE Cc1cc(CSCC(=O)NNC=C2C=C(C(C)(C)C)C(=O)C(C(C)(C)C)=C2)cc(C)c1O 38267792 PLBXALKNLOZKJW-UHFFFAOYSA-N 456.652 5.275 50 10 JKGE N#CC1=C(N)Oc2cc(OC(=O)c3ccccc3Cl)ccc2[C@H]1c1ccc(Cl)c(Cl)c1 38655692 OPQLXCYMRYQMKL-OAQYLSRUSA-N 471.727 6.084 50 10 JKGE Cc1cccc(OCC(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@@H]3c2c(F)cccc2Cl)c1C 38680537 DJJXOIJAOCTXHF-XMMPIXPASA-N 478.907 5.299 50 10 JKGE CCc1ccc2oc(C(=O)Oc3ccc4c(c3)OC(N)=C(C#N)[C@H]4c3ccccc3Cl)c(C)c2c1 38687635 KWPKJLFPKBKJQV-VWLOTQADSA-N 484.939 6.394 50 10 JKGE CC(C)(C)c1ccc(Oc2nc3ccccn3c(=O)c2/C=C(/C#N)C(=O)Nc2ccccc2Cl)cc1 39858518 LLERODCSCWBYEF-VLGSPTGOSA-N 498.970 5.983 50 10 JKGE C=CCOc1ccc(C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@H]3c2c(Cl)cccc2Cl)cc1 40529664 SINBBCHCMAODSL-QHCPKHFHSA-N 493.346 5.996 50 10 JKGE Cc1ccc(C(=O)N/N=C2\CCCc3oc(C(=O)Nc4ccc(Cl)c(Cl)c4)c(C)c32)cc1 40804578 XZQGNEVMCKHMHW-TURZUDJPSA-N 470.356 5.926 50 10 JKGE Cc1ccc(NC(=O)c2oc3c(c2C)/C(=N/NC(=O)Cc2ccc([N+](=O)[O-])cc2)CCC3)cc1Cl 40814573 YMARGIPOBPNRIG-VFCFBJKWSA-N 494.935 5.110 50 10 JKGE O=C(CC[C@@H](O)c1ccccc1)N/N=C\c1cn(Cc2ccc(Cl)c(Cl)c2)c2ccccc12 58891250 RCTJAXQJJDWZEY-ACHZEZRCSA-N 480.395 5.960 50 10 JKGE CCCCCOc1ccccc1C(=O)N/N=C/c1ccc(OS(=O)(=O)c2ccc(C)cc2)cc1 59167380 XTLIAWURRDNHHU-ZXVVBBHZSA-N 480.586 5.096 50 10 JKGE Cc1cccc(COc2ccc(/C=N/NC(=O)c3ccc(-n4c(C)ccc4-c4ccccc4)cc3)cc2)c1 59304427 XNXPTKJBAQKGLE-PPOKSSTKSA-N 499.614 7.104 50 10 JKGE Cc1cc(/C=N/NC(=O)c2cc3ccccc3o2)c(C)n1-c1cccc(I)c1 59680032 LVRKBFKIEKHRFL-ZMOGYAJESA-N 483.309 5.209 50 10 JKGE CCN(CC)C(=O)Oc1ccc2c(ccn2Cc2ccc(Cl)cc2)c1NC(=O)C(Cl)Cl 97941672 YRUCAUFOSHHVGD-UHFFFAOYSA-N 482.795 5.926 50 10 JKGE CC(C)CCC[C@H](C)[C@H]1CC[C@H]2[C@@H]3CC=C4CC[C@@H](OC(=O)CCCl)C[C@]4(C)[C@H]3CC[C@@]21C 118920935 YALMZSOWQWEZFX-NRRNYKAYSA-N 477.173 8.569 50 10 JKGE Brc1cc([C@H](Br)Cc2nc3ccccc3o2)sc1Br 128993421 TVNAPCCOKPMPAM-SSDOTTSWSA-N 465.992 6.093 50 10 JKGE C[C@@](CI)(OCCOc1ccccc1)c1ccccc1Br 162093223 MOASCQGUQFZKDE-KRWDZBQOSA-N 461.137 5.195 50 10 JKGE CCCOc1ccccc1/C=C(/C#N)C(=O)Nc1sc(C(=O)OC(C)C)c(C)c1C(=O)OCC 206986722 WZHYRJVYAXSMAD-AQTBWJFISA-N 484.574 5.133 50 10 JKGE C[C@@H]1CCCC[C@H]1NC(=O)[C@H](c1ccccc1Cl)N(Cc1ccc(Cl)cc1)C(=O)CCl 230275211 CUHNQYISIRIYKE-VZPUWSDOSA-N 481.851 5.997 50 10 JKGE COc1c(C)cc([C@H](Br)c2ccc(Br)cc2Br)cc1C 234926440 LCSPVJDVLRIXPM-HNNXBMFYSA-N 463.007 6.321 50 10 JKGE Clc1cc(Br)ccc1Oc1ccc(CBr)c(Br)c1 236044606 CJWLPCYLYAGYNN-UHFFFAOYSA-N 455.371 6.552 50 10 JKGE Clc1ccc([C@@H](Br)c2cc(Cl)c(Br)s2)cc1Br 236062146 DZBHUGVCVKIXLL-SNVBAGLBSA-N 479.846 7.064 50 10 JKGE CCOC(=O)NN=C1C=C2CC[C@H]3[C@@H](CC[C@]4(C)[C@@H]3C[C@H]3CCCC[C@]34C(C)=O)[C@@]2(C)CC1 254294346 ZGBFIPQSPKDRKC-JODMJTKUSA-N 454.655 6.427 50 10 JKGE C=CCOc1ccc(C=NNC(=O)c2cc(-c3ccccc3O)nc3ccccc23)cc1OCC 254429347 FYDGTCAJTIODNN-UHFFFAOYSA-N 467.525 5.335 50 10 JKGE CCN(CC)c1ccc(/C=C(/NC(=O)c2ccccc2)C(=O)NN=C(C)/C=C/c2ccccc2)cc1 254445205 WRMYWRFCBHNNIB-ZMZHACMQSA-N 480.612 5.509 50 10 JKGE CCCOc1ccc(-c2nn(-c3ccccc3)cc2C=NNC(=O)c2cc3ccccc3cc2O)cc1 254845523 DXUUEGQARLZOEU-UHFFFAOYSA-N 490.563 5.951 50 10 JKGE Br[C@H](Cc1nc2ccccc2s1)c1sccc1I 311019881 BZEPFEAQOKKYMA-MRVPVSSYSA-N 450.164 5.641 50 10 JKGE Cc1cc(Br)ccc1[C@H](Cl)c1cc(I)cc2c1OCC2 380258724 PGIMBICLAXIUQN-HNNXBMFYSA-N 463.540 5.625 50 10 JKGE O=C(OCc1ccccc1)N1C[C@H](CBr)[C@H](c2ccc(Cl)cc2Br)C1 382687586 GSVZKVFDCFJZSA-WMLDXEAASA-N 487.619 5.850 50 10 JKGE BrCc1c(Br)cccc1N1C[C@H]2CCN(Cc3ccccc3)C[C@H]2C1 394701325 IWGCTLLDUZABJN-MSOLQXFVSA-N 464.245 5.302 50 10 JKGE ClCc1nc2cc(I)ccc2n1CC1CCN(Cc2ccccc2)CC1 397575177 BPZJIAUMRLUSKH-UHFFFAOYSA-N 479.793 5.292 50 10 JKGE COCCOc1ccc([C@@H](Br)c2ccsc2Br)cc1Br 698582795 BBRFFXZNGFUFEU-CYBMUJFWSA-N 485.035 5.783 50 10 JKGE CC1(C)CCC[C@H](COc2c(Br)cc(CBr)cc2Br)O1 714360048 MRFAOQYUGFKXNP-LLVKDONJSA-N 471.027 5.833 50 10 JKGE BrCc1ccc(N2C[C@H]3C[C@@H](CN(Cc4ccccc4)C3)C2)cc1Br 719371397 ANLMUGHXZPVLKA-ROUUACIJSA-N 464.245 5.302 50 10 JKGE Cc1cc(F)cc(C)c1[C@@H](Br)c1ccc(I)c(Br)c1 721615093 RBTBPOWJGZTXCA-HNNXBMFYSA-N 497.971 6.294 50 10 JKGE CCOc1ccc([C@@H](O)CCC(=O)NN=Cc2cc(C)n(-c3cccc(Cl)c3)c2C)cc1 1083995618 GTAFVEVJWVWALI-DEOSSOPVSA-N 453.970 5.110 50 10 JKGE CCOc1cc(C=NNC(=O)[C@@H](C)Sc2ccc(Cl)cc2)ccc1OCc1ccccc1 1084073717 SOFANBPRHZZGIR-GOSISDBHSA-N 469.006 5.949 50 10 JKGE CCC(=NNC(=O)CCCSc1nnc(CCc2ccccc2)n1-c1ccccc1)c1ccccc1 1084247873 JLBWZJVGHXOPMI-UHFFFAOYSA-N 497.668 5.855 50 10 JKGE N#C/C(=C/c1ccccc1OCc1ccccc1Cl)C(=O)Nc1cc(Cl)ccc1Cl 1084301703 CDTNOTGDQHNWNX-BOPFTXTBSA-N 457.744 6.771 50 10 JKGE O=C(NN=C(CSc1nc2ccccc2o1)c1ccc(-c2ccccc2)cc1)c1ccccc1O 1084410639 VFRULXIXRZKKDK-UHFFFAOYSA-N 479.561 6.127 50 10 JKGE O=S(=O)(Sc1cc(Cl)c(Cl)cc1Cl)c1cc(Cl)c(Cl)cc1Cl 1614657994 RYLSTOOCPLKKNP-UHFFFAOYSA-N 457.014 7.088 50 10 JKGE O=C(OCc1ccccc1)N1C[C@@H](CCl)[C@@H](c2cc(C(F)(F)F)ccc2Br)C1 1614695636 VOOVIFQTQUBHTB-PBHICJAKSA-N 476.720 6.059 50 10 JKGE O=C(COc1cc(Cl)ccc1Cl)NN=C1C(=O)N(Cc2ccc(Cl)cc2)c2ccccc21 1772752407 GVBSYLDALHAARD-UHFFFAOYSA-N 488.758 5.093 50 10 JKGE N#CSc1ccc(NC(=O)Oc2cccc3c(NC(=O)/C=C/c4ccccc4)cccc23)cc1 1858774028 QTMXHNVCXVHRFB-SFQUDFHCSA-N 465.534 6.676 50 10 JKGE COc1ccc(-c2nn(Cc3ccccc3Cl)c3c2[C@@H](c2cccc(O)c2)C(C#N)=C(N)O3)cc1 1865681351 KZRZPPIQFWZWGE-QHCPKHFHSA-N 484.943 5.184 50 10 JKGE CCc1nn(Cc2ccc(Cl)c(Cl)c2)c2c1[C@@H](c1ccc(N(C)C)cc1)C(C#N)=C(N)O2 1865684150 UURPGKBYQXXINU-NRFANRHFSA-N 468.388 5.085 50 10 JKGE COc1cc([C@@H]2C(C#N)=C(N)Oc3c2c(C)nn3-c2ccccn2)ccc1OCc1ccc(Cl)cc1 1865700804 DTKIWRBAYRHNJK-RUZDIDTESA-N 499.958 5.035 50 10 JKGE CCc1nn(-c2ccccc2Cl)c2c1[C@H](c1ccc(Br)cc1)C(C#N)=C(N)O2 1865714674 NGTCJLJBGXRATH-GOSISDBHSA-N 455.743 5.069 50 10 JKGE Cc1ccc(C)c2c1C[C@H](C)CN2c1cc(Nc2ccc(SC#N)cc2)nc(C(C)(C)C)n1 1868342369 UCTOVGBHSRJWHA-KRWDZBQOSA-N 457.647 7.038 50 10 JKGE COc1cccc(/C=C2\Oc3cc(OCc4ccc(CCl)cc4)cc(C)c3C2=O)c1OC 1871436592 GYQFDMRPSHRXJK-FMCGGJTJSA-N 450.918 5.946 50 10 JKGE CC(C)N1C(=O)c2ccc(/C(O)=C(\C#N)c3nc(-c4ccc(-c5ccccc5)cc4)cs3)cc2C1=O 1872743586 CDSCTHBIQVIPAP-LCUIJRPUSA-N 491.572 6.431 50 10 JKGE CCc1ccc(OCCC/C(O)=C(\C#N)c2nc(-c3cccc(Br)c3)cs2)cc1 1872746115 SOMZDGYWXWEFAL-XDOYNYLZSA-N 469.404 6.787 50 10 JKGE CCOC(=O)c1ccc(N2C[C@H](/C(O)=C(\C#N)c3nc(-c4ccc(C)cc4)cs3)CC2=O)cc1 1872749387 PAVTXWZAYOEGEF-GZXZFMISSA-N 473.554 5.141 50 10 JKGE Cc1ccc(C)c(-c2csc(/C(C#N)=C(\O)CCCOc3ccc(Cl)cc3Cl)n2)c1 1872750004 RWEVNWSZMDWCIB-UZYVYHOESA-N 459.398 7.386 50 10 JKGE COc1cc(C)c(-c2csc(/C(C#N)=C(\O)c3cccc(Oc4ccccc4)c3)n2)cc1C(C)C 1872753840 PMFLSWAASDWPJD-FVDSYPCUSA-N 482.605 7.993 50 10 JKGE COc1ccc(-c2csc(/C(C#N)=C(\O)Cc3ccc(Br)cc3)n2)cc1Cl 1872755776 FKAJOFBLWPGTPD-SDXDJHTJSA-N 461.768 6.270 50 10 JKGE COc1cc(-c2csc(/C(C#N)=C(\O)COc3ccc(C)c(C)c3)n2)c(OC)cc1Cl 1872756290 HDBIDBSWHBEFME-JZJYNLBNSA-N 456.951 5.969 50 10 JKGE COc1cc(OC)c(-c2csc(/C(C#N)=C(\O)COc3c(C)ccc(C)c3C)n2)cc1Cl 1872756731 XMTKMLJMFSTNAS-JZJYNLBNSA-N 470.978 6.278 50 10 JKGE CCOc1cc(/C=C(\C#N)c2nc(-c3cccs3)cs2)ccc1OCc1ccccc1C 1872791333 DWAOIWCBCLBLCS-FYJGNVAPSA-N 458.608 7.222 50 10 JKGE CCOc1c(Br)cc(/C=C(\C#N)c2nc(-c3c[nH]c4ccccc34)cs2)cc1OC 1872791377 GKOGRMZGYIZMFE-OVCLIPMQSA-N 480.387 6.525 50 10 JKGE CC(C)(C)OC(=O)N[C@@H](CBr)C1CCC2(CCCN2C(=O)OC(C)(C)C)CC1 1885095725 DAIXGAXRVJKFDL-TZQQIIETSA-N 461.441 5.235 50 10 JKGE BrCc1cc(Br)cc(Br)c1OC[C@@H]1C[C@H]1Br 1897192841 IYHPEIITUBOCJT-IONNQARKSA-N 477.816 5.269 50 10 JKGE O=C(Cc1ccc(Br)cc1)N(Cc1ccccc1)[C@@H](CBr)C1CC1 1915276614 ROUIDSRFIFXFPM-IBGZPJMESA-N 451.202 5.194 50 10 JKGE FC(F)(F)C(F)(F)[C@H](Br)c1c(Br)sc(Br)c1Cl 1923047740 CPZDBLNWIJJNQS-GSVOUGTGSA-N 487.307 6.560 50 10 JKGE CC(C)(C)C1CCC([C@@H](Cl)c2c(Br)sc(Br)c2Cl)CC1 1923050217 RLSFDBXEAVZEJZ-NWGYLPEXSA-N 463.106 8.059 50 10 JKGE CCCC[C@@H](C)[C@@H](Cl)c1c(Br)sc(Br)c1Br 1924581246 ZCBZCCXFBCWMTN-HZGVNTEJSA-N 453.465 7.142 50 10 JKGE COc1cc([C@H](Cl)c2c(Br)sc(Br)c2Br)ccc1F 1924596577 QHFNBFPPHGMOQF-JTQLQIEISA-N 493.417 6.512 50 10 JKGE Clc1sc(Br)c(Cl)c1[C@H](Br)Cc1ccc(Br)cc1 1925585663 PWCGLWHOMUWAFJ-MRVPVSSYSA-N 493.873 7.259 50 10 JKGE CCc1sc(Br)cc1[C@@H](Br)c1cccc(I)c1 1943032746 GPORVFBVROKLSU-ZDUSSCGKSA-N 486.010 6.162 50 10 JKGE Cc1cc(Br)sc1[C@H](Br)c1ccc(Br)cc1Cl 1950207627 IVIDJYDOESGUFG-LLVKDONJSA-N 459.428 6.719 50 10 JKGE Cc1sc(Br)c([C@H](Br)c2sc(Cl)cc2Br)c1C 1951020140 SOMSCULWQLVMSW-VIFPVBQESA-N 479.484 7.089 50 10 JKGE Cc1c(Br)ccc([C@H](Br)C2(Br)CCC2)c1Br 1994136292 YBYVUCBSAJOJHY-NSHDSACASA-N 475.844 6.274 50 10 JKGE Cc1c(Br)sc([C@H](Br)[C@H]2C[C@@H]2C(C)(F)F)c1Br 2000490264 DVDVPQWEVHSOAG-VMHSAVOQSA-N 452.984 6.309 50 10 JKGE CCC(CC)(CC)CO[C@@]1(CI)CCCN(C(=O)OC(C)(C)C)C1 2011173176 RSQGYTXDIWZXMV-LJQANCHMSA-N 453.405 5.424 50 10 JKGE FC(F)(F)c1csc([C@@H](Br)[C@H]2C[C@@H](Br)C2)c1Br 2020178066 WTBWHKWUUCLDQR-BFHQHQDPSA-N 456.947 6.139 50 10 JKGE COc1ccc(C)c([C@H](Br)c2cc(Br)c(Br)s2)c1 2047193622 OHOYJKUNQBFHHQ-LBPRGKRZSA-N 455.009 6.074 50 10 JKGE CCOc1ccc([C@H](Cl)c2cc(I)sn2)cc1Br 2056488534 WGOBBVPVHDDVOC-LBPRGKRZSA-N 458.546 5.237 50 10 JKGE Fc1ccc(Cl)cc1[C@H](Br)c1ccc(Br)cc1Br 2083336619 BRALRIXJOATUAR-CYBMUJFWSA-N 457.362 6.488 50 10 JKGE Cc1cc(Br)c(F)c([C@H](Br)Cc2ccc(Br)cc2)c1 2089373873 BNLWVQRSVBVYKC-CYBMUJFWSA-N 450.971 6.338 50 10 JKGE C[C@H](Br)C[C@H]1CCCCN1C(=O)c1csc(Br)c1Br 2093945072 VLVQCXRAHCGBSX-DTWKUNHWSA-N 474.056 5.441 50 10 JKGE CC(C)n1ncc(Br)c1C[C@@H](Br)c1ccc(Br)cc1 2113491542 PTPOPWQXYVFSET-GFCCVEGCSA-N 451.000 5.668 50 10 JKGE Cc1c(Br)sc([C@H](Br)[C@@]2(C)CCCC(F)(F)C2)c1Br 2132121742 BQZHBDAJYAKNAU-JQWIXIFHSA-N 481.038 7.233 50 10 JKGE Cc1cc(Br)c(C)c([C@H](Br)C[C@@H]2CCO[C@@H]2C)c1Br 2136381570 IYOQPQHJSQDHGJ-NTZNESFSSA-N 455.028 6.080 50 10 JKGE Cc1cc(Br)c(C)c([C@@H](Br)C2(C(C)C)CCC2)c1Br 2136382285 QEIRZDDUVYWZCW-OAHLLOKOSA-N 453.056 7.091 50 10 JKGE CC[C@@H]1CC[C@H]([C@@H](Br)c2c(C)c(Br)cc(C)c2Br)O1 2136712682 MYWJTJQTRAZZMR-IXPVHAAZSA-N 455.028 6.222 50 10 JKGE Cc1cc(F)c(Cl)cc1[C@H](Cl)c1cc(Br)ccc1I 2137050555 CZCACRVQZHFYDM-AWEZNQCLSA-N 473.938 6.483 50 10 JKGE Cc1cc(Cl)c(Br)cc1[C@@H](Br)c1cc(Br)ccc1Cl 2137643539 SVDWXFKZAJHRDQ-CQSZACIVSA-N 487.844 7.311 50 10 JKGE O=C(c1cc(Br)sc1Br)N1[C@H](CBr)CCC12CCC2 2140860389 CVJBAJCXTUUQOW-QMMMGPOBSA-N 472.040 5.195 50 10 JKGE COc1c(C)cc(Br)cc1[C@@H](Cl)c1cc(Br)sc1Br 2141638354 BMJKPLUDPCLIGH-LLVKDONJSA-N 489.454 6.681 50 10 JKGE C[C@@H]1CC[C@H](C(C)(C)Cc2ccc(Br)cc2Br)[C@@H](Br)C1 2148687556 FWBHAXXIYDYIND-WPGHFRTFSA-N 467.083 6.980 50 10 JKGE C[C@H]1CCCN(C(=O)c2c(Br)cccc2Br)[C@H]1CCBr 2150495234 WDGYAYCPPRFVGY-GWCFXTLKSA-N 468.027 5.237 50 10 JKGE Cn1nc([C@@H](Br)c2cc(Br)c3c(c2)CCO3)c(Br)c1Cl 2167042659 QAOCJJTWUYKDGC-VIFPVBQESA-N 485.401 5.018 50 10 JKGE CCN(C[C@@](C)(CI)OC1CC2(CCC(C)(C)CC2)C1)C(=O)OC(C)(C)C 2193410907 JKSJMELIAQZKAQ-OAQYLSRUSA-N 493.470 6.203 50 10 JKGE N#Cc1ccc(Oc2cc(Br)cc(F)c2CBr)c(Br)c1 2197257989 WYESLZJCUPBNSS-UHFFFAOYSA-N 463.926 5.910 50 10 JKGE COc1cc(C)c([C@H](Br)c2c(C)nn(C)c2Br)cc1Br 2198735441 SJHCDPSQIWKOSO-ZDUSSCGKSA-N 466.999 5.055 50 10 JKGE Cc1ccc([C@@H](CI)OCc2cc(Cl)ccc2Br)cc1 2200753100 PTODHHYHWJVEBV-MRXNPFEDSA-N 465.556 6.104 50 10 JKGE Cc1cc(Br)c(C)c([C@@H](Br)C[C@H]2CCCC2(F)F)c1Br 2201065725 SXVDHHQYRQVZHL-PWSUYJOCSA-N 475.009 7.090 50 10 JKGE CCn1cc(Br)c([C@@H](Br)c2cc(Br)c(OC)cc2Cl)n1 2202352741 NPSFSLNIFVDQCG-LBPRGKRZSA-N 487.417 5.574 50 10 JKGE COc1c(Br)cc(C)cc1[C@H](Br)c1ccc(C)cc1Br 2203823029 HWNKIYNBQROJMQ-OAHLLOKOSA-N 463.007 6.321 50 10 JKGE COc1c(Br)cc(C)cc1[C@H](Br)c1cccc(Br)c1F 2203829802 LRVNETYPVJDAQD-CYBMUJFWSA-N 466.970 6.152 50 10 JKGE BrC[C@@H](C1CC1)N(Cc1ccccc1)C[C@H]1CC1(Br)Br 2209114459 VRRIUYOHAJQMJQ-CABCVRRESA-N 466.055 5.168 50 10 JKGE Fc1cc(Br)c(Br)cc1[C@H](Br)c1ccc(Br)o1 2213494265 ZHGCTNRBVBWVPO-NSHDSACASA-N 491.774 6.191 50 10 JKGE COc1c(C(C)C)cc(Br)cc1[C@@H](Br)C1(Br)CCC1 2224916095 SCZXIQAOXKRHTH-CQSZACIVSA-N 455.028 6.335 50 10 JKGE ClCCc1nc2cc(Br)c(Br)cc2n1[C@@H]1CC[C@H]1OCc1ccccc1 2225695916 CRZYUAAQOJZQLI-IEBWSBKVSA-N 498.646 6.263 50 10 JKGE Cc1cc(Br)c([C@H](Cl)c2cnn(C)c2Br)c(C)c1Br 2227351922 OJEBUEBDWJPMRK-GFCCVEGCSA-N 471.418 5.653 50 10 JKGE Clc1ccc([C@@H](Br)Cc2ccc(Br)cc2Cl)cc1Br 2229148239 BYQGFJXHOYORQQ-NSHDSACASA-N 487.844 7.197 50 10 JKGE O=C(Nc1ccccc1CCl)c1ccc(I)c(Br)c1 2230652819 ILQGXCVFJOSJQI-UHFFFAOYSA-N 450.501 5.045 50 10 JKGE Cc1c(F)cccc1[C@H](Br)c1c(Br)cc(Cl)c(Cl)c1Cl 2232515768 CHHBYIYYMZGLKF-LBPRGKRZSA-N 461.383 7.341 50 10 JKGE Fc1cc(Br)c(Br)cc1[C@@H](Br)[C@H]1Cc2ccccc2O1 2233978176 YVGUQFISIHURGR-HUUCEWRRSA-N 464.954 5.790 50 10 JKGE FC(F)(F)Oc1ccc(Cl)cc1[C@@H](Br)c1cc(Br)sn1 2239626597 YBIAMSVWRABOTP-SNVBAGLBSA-N 451.489 5.942 50 10 JKGE Brc1cc(Br)c(OC[C@@H]2C[C@H]2Br)c(CNC2CCC2)c1 2240250246 SIFWGPCQVSCKSM-GXFFZTMASA-N 468.027 5.016 50 10 JKGE COc1ccc([C@@H](Cl)c2scc(C)c2Br)cc1I 2257354979 NEFCVSNUUXZUDM-GFCCVEGCSA-N 457.558 5.760 50 10 JKGE CS(=O)(=O)c1cscc1[C@H](Br)c1cc(Br)sc1Br 2260094339 ISAXELQBKKYNLR-SECBINFHSA-N 495.077 5.222 50 10 JKGE Cc1c(Br)csc1[C@H](Br)c1cc2sc(Br)cc2s1 2263574876 DUPZMHJUNDKAPB-LLVKDONJSA-N 487.101 7.342 50 10 JKGE Clc1c(Br)csc1[C@@H](Br)c1cc2c(cc1Br)OCC2 2264607070 IGGDTQQTRKWZQI-NSHDSACASA-N 487.438 6.346 50 10 JKGE CC(C)(C1CCCC1)[C@H](Br)Cc1cc(Br)cc(Br)c1 2277962432 HNYSNMOUHGOTNQ-OAHLLOKOSA-N 453.056 6.734 50 10 JKGE Fc1cc(Br)c(F)c(Br)c1[C@H](Br)[C@@H]1CC12CC(F)(F)C2 2288483230 HWPHQAAIMWIWJX-SSDLBLMSSA-N 480.919 6.361 50 10 JKGE CC(C)(C)CCN(CCBr)C(=O)c1ccc(Br)cc1Br 2289869923 MJCMKOLVLFCAMA-UHFFFAOYSA-N 470.043 5.485 50 10 JKGE COc1c(Br)cc(Cl)cc1[C@@H](Cl)c1cc(C)ccc1I 2295279963 UZUUWPJNSGIKIK-AWEZNQCLSA-N 485.974 6.352 50 10 JKGE COc1ccc(NC(=O)C(C#N)=Cc2cn(Cc3ccc(Cl)cc3)nc2-c2ccccc2)c(OC)c1 2295353425 YKJHVGVGSWVLSN-UHFFFAOYSA-N 498.970 5.815 50 10 JKGE Cc1cccn2c(=O)c(C=C(C#N)c3nc4ccccc4s3)c(Oc3ccc(Cl)cc3)nc12 2296719432 QFGJAIKDDOFUDB-UHFFFAOYSA-N 470.941 6.123 50 10 JKGE COc1cc(C=C(C#N)C(=O)Nc2ccccc2Oc2ccccc2)cc(Br)c1O 2297381896 PZAJXOXDTFXVQW-UHFFFAOYSA-N 465.303 5.501 50 10 JKGE Brc1cc(OCc2ccccc2)ccc1[C@@H](Br)[C@H]1C[C@@H]2CC[C@H]1O2 2299504506 NTGDTIRBHURDRG-SMMRIJLZSA-N 452.186 6.032 50 10 JKGE CC12COC([C@H](Br)c3ccc(OCc4ccccc4)cc3Br)(C1)C2 2299534423 DASLNPBLHSGRSH-XEVCZEQESA-N 452.186 6.033 50 10 JKGE COc1ccc([C@H](Br)c2cnsc2Br)cc1I 2300302771 DHTHVLAERVCMMO-JTQLQIEISA-N 488.970 5.003 50 10 JKGE Cc1nc(Br)c([C@H](Cl)c2sc(Cl)cc2I)n1C 2300953245 HDECVUSNHMLORR-ZETCQYMHSA-N 465.969 5.139 50 10 JKGE CCOc1cc(C=C(C#N)c2ccc([N+](=O)[O-])cc2)ccc1OCc1ccc(Cl)c(Cl)c1 2313541152 XEBSYDOVEYPWQX-UHFFFAOYSA-N 469.324 6.943 50 10 JKGE CCc1ccc(NC(=O)C(C#N)=Cc2cc(Br)c(Sc3ccc(Cl)cc3)o2)cc1 2313565110 RZKGSFUNNMLWEF-UHFFFAOYSA-N 487.806 6.955 50 10 JKGE C=CCOc1ccc(-c2nn(-c3ccccc3)cc2C=C(C#N)c2nc(O)c3ccccc3n2)cc1C 2314432564 CGDDNIAZWKCGRZ-UHFFFAOYSA-N 485.547 6.126 50 10 JKGE Cc1cc(Oc2nc3ccccn3c(=O)c2C=C(C#N)C(=O)Nc2ccc(Cl)cc2)ccc1Cl 2314533166 PHHHTXBFQJDMFX-UHFFFAOYSA-N 491.334 5.648 50 10 JKGE CCCCN1C(=O)C(=Cc2ccc(OCc3ccc(F)cc3)c(OCC)c2)C(C)=C(C#N)C1=O 2314610764 MAHUPYIRZNBHSA-UHFFFAOYSA-N 462.521 5.196 50 10 JKGE CCCCOc1ccccc1[C@H]1C(C#N)=C(N)Oc2cc(OC(=O)C=Cc3ccc(C)cc3)ccc21 2314634825 QZZYBNJDCRRIBH-GDLZYMKVSA-N 480.564 6.011 50 10 JKGE CCCCOc1ccc(C=C(C#N)C(=O)Nc2nc(-c3ccc(Br)cc3)cs2)cc1 2314735350 RDDQNGAZBIOKNT-UHFFFAOYSA-N 482.403 6.297 50 10 JKGE COc1ccc2sc(C(=O)Oc3ccc(C=C(C#N)C(=O)NC(C)C)cc3OC)c(Cl)c2c1 2314792511 KMCCNWZAYVGITB-UHFFFAOYSA-N 484.961 5.223 50 10 JKGE ClCc1ccc(Br)cc1Oc1cc(Br)cc(Br)c1 2316756536 FXOYYQVMPMPVQE-UHFFFAOYSA-N 455.371 6.505 50 10 JKGE C[C@@H]1O[C@H](C)C[C@]1(CBr)Cc1ccc(I)c(Br)c1 2325218788 RYYQQICBMNAPJH-ISTVAULSSA-N 488.001 5.175 50 10 JKGE CCn1cc(C=C2Oc3c(ccc(OCc4cccc(CCl)c4)c3C)C2=O)c2cc(OC)ccc21 2325361278 QESNICJYKJFZBI-UHFFFAOYSA-N 487.983 6.912 50 10 JKGE Cc1ccccc1COc1ccc(C=NNC(=O)[C@H](Cc2ccccc2)NC(=O)OC(C)(C)C)cc1 2328827667 WLVCZKPWTJWPDC-SANMLTNESA-N 487.600 5.160 50 10 JKGE CCOc1ccc(C=C(C(O)=C(C#N)c2nc(-c3ccc(OC)c(C)c3)cs2)c2ccccc2)cc1 2331259229 CPGCSNAGHFJXAX-UHFFFAOYSA-N 494.616 7.559 50 10 JKGE CC(C)c1ccc(O[C@H](C)C(O)=C(C#N)c2nc(-c3cccc(Br)c3)cs2)cc1 2331278691 CBSOSCSHUNVZSO-OAHLLOKOSA-N 469.404 6.956 50 10 JKGE N#CC(=C(O)C=Cc1ccc(Cl)c(Cl)c1)c1nc(-c2cccc(Br)c2)cs1 2331279407 VQXAKBFYQUFKHA-UHFFFAOYSA-N 478.198 7.385 50 10 JKGE COc1ccc(OCCCC(O)=C(C#N)c2nc(-c3cc(Cl)cc(Cl)c3OC)cs2)cc1 2331363975 ASIOWBPBBGORBX-UHFFFAOYSA-N 491.396 6.786 50 10 JKGE CCOc1ccc(-c2csc(C(C#N)=C(O)Cc3cc(OC)ccc3OC)n2)c(OCC)c1 2331387102 ZYFKLIBKAWDMOI-UHFFFAOYSA-N 466.559 5.660 50 10 JKGE COc1cc(Cl)c(C)cc1-c1csc(C(C#N)=C(O)c2cc([N+](=O)[O-])c(C)c([N+](=O)[O-])c2)n1 2331392105 QHZXWELKIXVKSI-UHFFFAOYSA-N 486.893 5.855 50 10 JKGE COc1c(C)cc(Cl)cc1-c1csc(C(C#N)=C(O)c2c(Cl)ccc(Cl)c2Cl)n1 2331392219 FAGMGMJZYHKUHY-UHFFFAOYSA-N 486.207 7.691 50 10 JKGE CCCCCCCOc1ccc(-c2csc(C(C#N)=Cc3c(Cl)cccc3Cl)n2)cc1 2331459667 IGKSATLHQOGOQP-UHFFFAOYSA-N 471.453 8.530 50 10 JKGE Brc1ccc(OCc2ccccc2)c([C@H](Br)c2cccc3ccsc23)c1 2336076333 XTIPYROJNBOKSG-OAQYLSRUSA-N 488.244 7.727 50 10 JKGE CCC[C@@H]1CC[C@@H](Br)[C@H](Cc2ccc(Cl)c(I)c2)C1 2337275919 ATUNFQQOVAZILT-KWCYVHTRSA-N 455.605 6.467 50 10 JKGE COc1cc([C@@H](Br)c2cc(Br)c(Br)cc2F)sc1Cl 2340286449 LJWDTFDEFJRGHH-NSHDSACASA-N 493.417 6.559 50 10 JKGE Cc1cc(OCc2ccc(I)c(Br)c2)ncc1CCl 2350076550 HGFDVEVZBQGZIN-UHFFFAOYSA-N 452.517 5.075 50 10 JKGE Cc1cc([C@H](Cl)c2c(Cl)cc(Br)c(F)c2Br)ccc1Cl 2362223580 ICOXAWVBWKRHCT-ZDUSSCGKSA-N 461.383 7.294 50 10 JKGE CC(C)[C@@H](CBr)CN1CC[C@@H](CCNC(=O)OC(C)(C)C)C[C@H]1C(F)(F)F 2362788893 MOCCVMCUGZOAQL-PMPSAXMXSA-N 459.391 5.211 50 10 JKGE COc1c(Br)cc(C)c([C@H](Br)CCOCC(F)F)c1Br 2365184240 ONJJMXUHKSHFRF-MRVPVSSYSA-N 480.969 5.636 50 10 JKGE Cc1cc(Br)c(F)c(Br)c1[C@H](Br)C[C@@H]1CCC12CCC2 2365192838 XHXGNYCICZNIKE-WDEREUQCSA-N 469.030 7.066 50 10 JKGE Cc1cc(Br)c(F)c(Br)c1[C@H](Br)[C@H]1C[C@]12CCCOC2 2365192957 FMTHCQXKLSTSEY-BCQZVRRWSA-N 471.002 5.912 50 10 JKGE Cc1cc(Br)c(F)c(Br)c1[C@@H](Cl)c1c(Br)nn(C)c1C 2365230236 HZCWGALHJZWAGO-LLVKDONJSA-N 489.408 5.792 50 10 JKGE CN(CC[C@H](Br)c1cccs1)Cc1ccc(Cl)cc1I 2366713832 CHIOITUPKQIZAT-ZDUSSCGKSA-N 484.628 5.964 50 10 JKGE Cc1ccc(C[C@@H]2S/C(=C(\C#N)C(=O)Nc3ccc(F)cc3)N(c3ccccc3)C2=O)cc1Cl 2308198 ASJRBZPJEQIGSK-CTHAODRQSA-N 491.975 5.853 50 10 JKGE COc1cc(/C=N/NC(=O)c2c[nH]c3ccccc23)cc(Br)c1OCc1ccc(F)cc1 20228377 OZJHTXRLXUSVPL-KVSWJAHQSA-N 496.336 5.421 50 10 JKGE CCOc1ccc(CC(=O)Oc2ccc(/C=C(/C#N)c3ccc(OC)c(OC)c3)cc2OC)cc1 31902059 ZWSPVQQJSMSFCF-HMAPJEAMSA-N 473.525 5.323 50 10 JKGE C[C@@H](Oc1ccc(Cl)cc1Cl)C(=O)Oc1cccc(/C=C(/C#N)c2ccccc2F)c1 31902850 AHODCFSVSHWSMW-QJISPJEISA-N 456.300 6.570 50 10 JKGE COc1cc(/C=C(/C#N)S(=O)(=O)c2ccc(Cl)cc2)ccc1OCc1ccc(Cl)cc1 33590576 YXUDPCJFEGQRAF-MTJSOVHGSA-N 474.365 5.919 50 10 JKGE CCOc1ccc(NC(=O)/C(C#N)=C\c2c(Oc3ccccc3Cl)nc3ccccn3c2=O)cc1 33777707 LZRMMHABGXSHMV-ICFOKQHNSA-N 486.915 5.085 50 10 JKGE COc1ccc(NC(=O)/C(C#N)=C\c2cn(Cc3ccc(Cl)cc3)nc2-c2ccccc2)c(OC)c1 35003863 YKJHVGVGSWVLSN-STZFKDTASA-N 498.970 5.815 50 10 JKGE CCCCOc1ccccc1C(=O)Oc1ccc2c(c1)OC(N)=C(C#N)[C@H]2c1ccc(OCCC)cc1 38650726 DLGARGGQSLQEAJ-NDEPHWFRSA-N 498.579 6.092 50 10 JKGE N#CC1=C(N)Oc2cc(OC(=O)c3cc([N+](=O)[O-])ccc3Cl)ccc2[C@@H]1c1cccc(Cl)c1 38651274 QBZMOFNOQTUXNL-NRFANRHFSA-N 482.279 5.339 50 10 JKGE COc1ccc(-c2nn(-c3ccccc3)cc2/C=C(\C#N)c2nc(-c3ccccc3)cs2)cc1 40142455 HMSSPRAKNFZQHK-CJLVFECKSA-N 460.562 6.736 50 10 JKGE CC(C)(C)c1ccc(OCCCC(=O)N/N=C/c2c(Cl)cccc2Cl)c(Br)c1 40951360 DISNUMHGCDUGLP-DHRITJCHSA-N 486.237 6.363 50 10 JKGE O=C(CC[C@H](O)c1ccccc1)N/N=C\c1ccc(OCc2ccc(Cl)c(Cl)c2)cc1 58887920 GXPMISGOBIURCR-XKCSFVINSA-N 457.357 5.536 50 10 JKGE N#C/C(=C/c1cc(Cl)ccc1OCc1ccc(Cl)cc1Cl)C(=O)Nc1ccc(F)cc1 59145795 FLPBENRHEFMEGJ-SXGWCWSVSA-N 475.734 6.911 50 10 JKGE Cc1ccc(NC(=O)/C(C#N)=C\c2cc(Cl)c(OCc3ccccc3C#N)c(Cl)c2)cc1 59335273 WEQIXQBYJHUESG-JMIUGGIZSA-N 462.336 6.298 50 10 JKGE Cc1cc(-c2ccc(/C=C(\C#N)C(=O)Nc3cccc(Cl)c3Cl)o2)cc([N+](=O)[O-])c1C 59336408 XUYDPYUZYQGMDW-OQLLNIDSSA-N 456.285 6.324 50 10 JKGE O=C(N/N=C/c1ccc(-c2ccc(I)cc2)o1)c1cc2ccccc2o1 59679904 OOQCGVVJLXHGBP-WSDLNYQXSA-N 456.239 5.061 50 10 JKGE Cc1ccc(S(=O)(=O)/C(C#N)=C/c2cn(-c3ccccc3)nc2-c2ccc3ccccc3c2)cc1 83318737 VYDZKSZTVAGKQZ-MTDXEUNCSA-N 475.573 6.339 50 10 JKGE COC(=O)c1c(N/C=C(\C#N)c2nc(-c3ccc(OC)c(OC)c3)cs2)sc(C)c1C 102623941 HAHNULKERPJJEO-XNTDXEJSSA-N 455.561 5.269 50 10 JKGE Cc1cccc(C(CBr)(CBr)Cc2ccc(Br)cc2)c1 118877613 UPPCSLPVLYERBV-UHFFFAOYSA-N 461.035 6.028 50 10 JKGE Cl[C@@H](c1ccc(Br)s1)c1cc(Br)c(Br)s1 130936619 HPXNKVUZEDVMBX-QMMMGPOBSA-N 451.430 6.425 50 10 JKGE COc1ccc(Cc2nc3cc(C(=O)N/N=C\c4ccc(C(C)C)cc4)ccc3[nH]2)cc1OC 169925472 GHWQHLGCUXSXNF-NTFVMDSBSA-N 456.546 5.058 50 10 JKGE CCCCCOc1cccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)/C=C\c4ccc(C)cc4)ccc32)c1 205659481 CHVIMHXYTURDNB-NQTOLJISSA-N 494.591 6.401 50 10 JKGE CCCCc1ccc([C@@H](Br)c2ccc(I)c(Cl)c2)cc1 232343067 CCGQIFUEGYPMPO-QGZVFWFLSA-N 463.584 6.772 50 10 JKGE Brc1cccc(C[C@@H](Br)c2ccc(Br)cc2Br)c1 232476976 JAHLYNDSDQOPRL-CYBMUJFWSA-N 497.850 6.653 50 10 JKGE CCCCc1ccc([C@H](Cl)c2cc(Br)ccc2I)cc1 233004744 ASALLMCXGYBETO-KRWDZBQOSA-N 463.584 6.725 50 10 JKGE COc1cc(F)c([C@H](Br)c2cc(Br)cc(Br)c2)c(F)c1 235001355 HAFSKWJANAEVDB-CQSZACIVSA-N 470.933 5.983 50 10 JKGE O=C(NN=Cc1ccc(-c2cc(Cl)ccc2Cl)o1)c1cccc(OC(F)(F)C(F)F)c1 254395358 ICXCHKLSBLFAMP-UHFFFAOYSA-N 475.225 6.254 50 10 JKGE COc1ccccc1/C=C/C=NNC(=O)CSc1nnc(-c2ccccc2)n1-c1ccc(C)cc1 254710592 PCDNXOAQPZFSCH-HQNZRIDASA-N 483.597 5.159 50 10 JKGE Cc1ccc(S(=O)(=O)N(Cc2ccccc2)c2ccccc2C(=O)NN=Cc2cccs2)cc1 254714307 RKETWADPNWAXJF-UHFFFAOYSA-N 489.622 5.216 50 10 JKGE CCCC[C@H](CC)CO[C@@]1(CI)CCCN(C(=O)OC(C)(C)C)C1 303740677 BZCQMNXTKQYROO-QFBILLFUSA-N 453.405 5.424 50 10 JKGE C[C@H](Cl)c1nc2cnccc2n1-c1ccc(Br)c(I)c1 312613746 QLGYBJVHVJCYJC-QMMMGPOBSA-N 462.516 5.087 50 10 JKGE Fc1c(Br)ccc(CC(CBr)(CBr)C2CCCC2)c1F 701005002 BWGPHZRCXQGVIB-UHFFFAOYSA-N 475.009 6.236 50 10 JKGE BrC[C@H](COc1c(Br)cc(Br)cc1Br)C1CC1 701863666 UBIIZUAFOQGVLQ-MRVPVSSYSA-N 491.843 5.774 50 10 JKGE O=[N+]([O-])c1ccc(Br)cc1Oc1ccc(CBr)c(Br)c1 703803226 MFCHLRDFFFUUTC-UHFFFAOYSA-N 465.923 5.807 50 10 JKGE Clc1cccnc1COc1c(Br)cc(Br)cc1CBr 703897400 XNXVYRXNQBLENS-UHFFFAOYSA-N 470.386 5.734 50 10 JKGE FC(F)(F)OCCCC(CBr)(CBr)c1cccc(Br)c1 713445440 VVKHVAOXNSTCMZ-UHFFFAOYSA-N 482.960 5.793 50 10 JKGE Fc1cccc([C@H](Cl)c2cc(Br)c(Cl)s2)c1I 721671663 GSNFVPXGHKLFGM-VIFPVBQESA-N 465.940 6.236 50 10 JKGE COc1cc(C=NNC(=O)COc2cc(C)c(Cl)c(C)c2)ccc1OCc1ccccc1Cl 725394736 NODYWWWJZDEXMV-UHFFFAOYSA-N 487.383 5.727 50 10 JKGE COc1c(C(=O)NN=C2C(=O)N(C/C=C/c3ccccc3)c3ccccc32)ccc2ccccc12 1083892716 ZGBOOZINGVKDDJ-YWLRDNAQSA-N 461.521 5.043 50 10 JKGE N#C/C(=C/c1cc(Cl)ccc1OCc1cccc(Cl)c1)C(=O)Nc1ccc(Cl)c(Cl)c1 1084257415 PWNFPJHORRAONB-SXGWCWSVSA-N 492.189 7.425 50 10 JKGE C=CCn1c(CNc2ccccc2)nnc1S[C@@H](C)C(=O)NN=C(C)C12CC3CC(CC(C3)C1)C2 1084542788 XSXBOIQQKFHFTP-DPDSROAVSA-N 492.693 5.265 50 10 JKGE CCOc1cc(/C=C(/C#N)C(=O)Nc2cccc(C(F)(F)F)c2)ccc1OCc1ccc(C)cc1 1084553130 JPVCLMALTIGFNL-BKUYFWCQSA-N 480.486 6.537 50 10 JKGE CCCc1nn(Cc2ccccc2F)c2c1[C@@H](c1ccc(Cl)cc1Cl)C(C#N)=C(N)O2 1865685967 OWVNAIDOIIBNRS-FQEVSTJZSA-N 457.336 5.548 50 10 JKGE N#CC1=C(N)Oc2c(c(-c3ccccc3)nn2-c2cccc(Cl)c2)[C@@H]1c1cc(Cl)ccc1O 1865689651 VLNBDTWKAYXGHK-OAQYLSRUSA-N 475.335 5.770 50 10 JKGE CCCOc1ccccc1[C@H]1C(C#N)=C(N)Oc2c1c(-c1ccc(OC)cc1)nn2Cc1ccccc1 1865703071 MMSXOWBFTYOSNI-SANMLTNESA-N 492.579 5.614 50 10 JKGE CCc1nn(Cc2ccccc2Cl)c2c1[C@H](c1cccc(OCc3ccccc3)c1)C(C#N)=C(N)O2 1865712430 YDFUOPNRXWEQAJ-AREMUKBSSA-N 496.998 5.944 50 10 JKGE C[C@H](c1ccccc1)N1C[C@@H](/C(O)=C(\C#N)c2nc(-c3ccc(-c4ccccc4)cc3)cs2)CC1=O 1872743892 RIMGGVONBWGJID-JLDFQMHTSA-N 491.616 6.879 50 10 JKGE CC[C@H](C)N1C(=O)c2ccc(/C(O)=C(\C#N)c3nc(-c4ccccc4OC)cs3)cc2C1=O 1872747187 RAGWMHRLMOAPFQ-RPIBDXEDSA-N 459.527 5.163 50 10 JKGE CCOc1ccc(/C=C/C(O)=C(\C#N)c2nc(-c3ccc(Cl)c(Cl)c3)cs2)cc1OC 1872748552 BZPDONOGIDYEQY-ZLMUJRJASA-N 473.381 7.030 50 10 JKGE CCOc1ccc(C/C(O)=C(\C#N)c2nc(-c3ccc(OCC)cc3OCC)cs2)cc1 1872755390 LCIMTVWTKRWZOZ-LNVKXUELSA-N 450.560 6.042 50 10 JKGE Cc1ccc(-c2csc(/C(C#N)=C(\O)CCCN3C(=O)c4cccc([N+](=O)[O-])c4C3=O)n2)cc1C 1872756716 WYYJTHKILPTFJQ-UZYVYHOESA-N 488.525 5.204 50 10 JKGE CC(C)(C)c1ccc(OCCC/C(O)=C(\C#N)c2nc(-c3ccc(Cl)s3)cs2)cc1 1872758003 HADHBIQPNIUDHK-ZPHPHTNESA-N 459.036 7.474 50 10 JKGE CCCOc1ccc(-c2csc(/C(C#N)=C/c3ccc(OCc4ccccc4C)cc3)n2)cc1 1872790940 MXKXVQZIRIGYDP-KOEQRZSOSA-N 466.606 7.551 50 10 JKGE COc1ccc(OC)c(-c2csc(/C(C#N)=C(\O)CNC(=O)c3ccc(Cl)cc3Cl)n2)c1 1873920294 CEKWYNFTOZYZOW-MNDPQUGUSA-N 490.368 5.357 50 10 JKGE CN(CCN(Cc1ccccc1)C(=O)c1ccnc(-c2nc(CCl)cs2)c1)Cc1ccccc1 1922337374 CJMAFSPMUQMCIJ-UHFFFAOYSA-N 491.060 5.718 50 10 JKGE FC1(F)CCC[C@@H]1C[C@H](Br)c1sc(Br)cc1Br 1922881294 HYXCITKWODDZSY-RQJHMYQMSA-N 452.984 6.535 50 10 JKGE Cc1ccc(Br)c([C@H](Cl)c2sc(Br)c(C)c2Br)c1 1922940007 JXQQKLWOQQEUHA-NSHDSACASA-N 473.455 6.981 50 10 JKGE Cc1cc(C)cc([C@H](Br)c2c(Br)sc(Br)c2Cl)c1 1923037887 GDNKXOQIFDELHP-JTQLQIEISA-N 473.455 7.028 50 10 JKGE Fc1cc(F)cc([C@H](Br)c2c(Br)sc(Br)c2Cl)c1 1923039546 PEUGUHIULWBPRD-QMMMGPOBSA-N 481.381 6.689 50 10 JKGE Clc1c(Br)sc(Br)c1[C@H](Br)[C@@H]1CCCOC1 1923067643 GSVPUBWRHGZRSI-IYSWYEEDSA-N 453.421 5.789 50 10 JKGE CCc1ccc([C@@H](Br)c2c(Br)sc(Br)c2Cl)o1 1923073141 VCTCJWOJRGUEBZ-MRVPVSSYSA-N 463.416 6.566 50 10 JKGE Brc1sc(Br)c([C@@H](Br)C[C@@H]2CCOC2)c1Br 1924604349 AKYLNPGWFVZESK-WDSKDSINSA-N 497.872 5.898 50 10 JKGE CCC(F)(F)C[C@@H](Cl)c1c(Br)sc(Br)c1Br 1924608073 CUNQDXJLJHJCDV-SCSAIBSYSA-N 461.391 6.751 50 10 JKGE Cl[C@H](c1c(Br)sc(Br)c1Br)[C@@H]1C[C@H]2O[C@H]1[C@@H]1C[C@@H]21 1924612740 DHEZAVMOAVTJSO-JWGIXBGFSA-N 477.443 5.739 50 10 JKGE O=C(Nc1ccc(F)c(CBr)c1)c1ccc(I)c(Cl)c1 1924875528 JPXLIBXUHLALLT-UHFFFAOYSA-N 468.491 5.231 50 10 JKGE CCC1([C@H](Br)c2c(Br)sc(Br)c2Cl)CCC1 1940118340 XAIWHSRVGQMVCY-MRVPVSSYSA-N 451.449 6.943 50 10 JKGE CN[C@H](c1c(Br)sc(Br)c1Br)[C@H]1C[C@@H](Br)C1 1991421575 MJNULYAAKPPPBV-UUEMRFSQSA-N 496.888 5.470 50 10 JKGE O=C(c1c(Cl)cccc1Br)N(Cc1ccccc1)[C@@H](CBr)C1CC1 2003557880 MBYHBKZSPZPAQF-KRWDZBQOSA-N 471.620 5.918 50 10 JKGE FC(F)([C@H]1CCOC1)[C@H](Br)c1sc(Br)cc1Br 2012976057 YECLUIWMQIYEJN-SSDLBLMSSA-N 454.956 5.381 50 10 JKGE CC1([C@@H](Br)c2sc(Br)cc2Br)CCCCCCC1 2052513931 YYYFVNKGVGAUKS-ZDUSSCGKSA-N 459.085 7.460 50 10 JKGE C[C@H]1CCc2c(sc3nc(C(C#N)=Cc4ccc(N5CCCC5)c([N+](=O)[O-])c4)nc(O)c23)C1 2053514320 IVRZDMCANFBSSD-AWEZNQCLSA-N 461.547 5.094 50 10 JKGE Cc1c([C@@H](Cl)c2c(Cl)sc(Br)c2Cl)c(Br)nn1C 2067855628 VEPAPQMQWQXEBY-ZCFIWIBFSA-N 453.414 5.950 50 10 JKGE FCC12CC([C@@H](Cl)c3c(Br)sc(Br)c3Br)(CO1)C2 2082584231 FYNAVLGLSODREF-ARTQYDKTSA-N 483.422 5.834 50 10 JKGE Cc1cc([C@@H](Br)c2ccc(Br)cc2Br)ccc1Cl 2083339714 RMIVDGXAEUWIDH-CQSZACIVSA-N 453.399 6.658 50 10 JKGE C[C@@H]1Cc2cc([C@H](Br)c3ccoc3Br)cc(Br)c2O1 2090466323 DOBKGWYDAOQHNO-KRTXAFLBSA-N 450.952 5.612 50 10 JKGE O=C(c1cc(Br)c(Br)s1)N1CCC[C@@H](CCBr)CC1 2093313055 AZCGGNGVPGSCAH-VIFPVBQESA-N 474.056 5.300 50 10 JKGE Cl[C@@H](c1csc(Br)c1Br)c1cc(Br)cc2c1OCC2 2093942441 SFXRBTVHOKTIOE-LLVKDONJSA-N 487.438 6.299 50 10 JKGE Cc1ccc([C@@H](Br)c2cc(Br)c(Cl)cc2F)c(Br)c1 2097833124 AGPQAECPQXFPCB-CQSZACIVSA-N 471.389 6.797 50 10 JKGE Cn1cc(COc2c(Br)cc(Br)cc2CBr)c(Cl)n1 2111945979 HHTMNYKBDFTWCG-UHFFFAOYSA-N 473.390 5.072 50 10 JKGE CCc1nc([C@H](Br)c2ccc(OC)cc2Br)c(Br)s1 2113183588 ULYZCXDLRZWPMM-LLVKDONJSA-N 470.024 5.723 50 10 JKGE C[C@@H](c1ccncc1Br)[C@@H](Br)c1cc(I)ccc1F 2113349773 XHNUCDYXZOBREU-RMLUDKJBSA-N 498.959 5.828 50 10 JKGE Fc1c(C[C@@H](Br)c2ccc(Br)cc2)ccc(Cl)c1Br 2113490242 ACNLJXJQPRSUPB-LLVKDONJSA-N 471.389 6.683 50 10 JKGE Clc1cccc([C@@H](Br)CCc2cccc(Br)c2Br)c1 2113491539 PRXOCTPGWYRDSA-ZDUSSCGKSA-N 467.426 6.934 50 10 JKGE CN(Cc1csc(Br)c1)c1cc(Br)cc(F)c1CBr 2114268217 VAGUQSBPRWCEBA-UHFFFAOYSA-N 472.015 5.944 50 10 JKGE O=C(c1cc(Br)c(Br)s1)N1C[C@H](Br)C2(CCCC2)C1 2117749266 NIXNMOJWUDGDHY-JTQLQIEISA-N 472.040 5.053 50 10 JKGE Cc1c(Br)ccc([C@@H](Br)C[C@@H]2CCC23CCC3)c1Br 2138869667 BXHKFMGTPYTLCO-FZMZJTMJSA-N 451.040 6.926 50 10 JKGE O=[N+]([O-])c1ccccc1C[C@H](Br)c1cccc(Br)c1Br 2148761794 SDLIKLQNQUHSHO-LBPRGKRZSA-N 463.951 5.799 50 10 JKGE O=C(c1cc(Br)c(Br)s1)N1CC2(CCC2)CC[C@@H]1CBr 2152058213 WPFWRPZBVRQEBM-SECBINFHSA-N 486.067 5.443 50 10 JKGE ClCc1ccc(Br)c(Cl)c1N1CC[C@@H]2CCN(Cc3ccccc3)C[C@@H]2C1 2154374937 AYDKCHUBRWVHQG-PKOBYXMFSA-N 468.266 6.190 50 10 JKGE CC(C)(C)C[C@H](CBr)CNC(=O)c1ccc(Br)cc1Br 2156325776 HEJLOJAEPPJOFM-SNVBAGLBSA-N 470.043 5.389 50 10 JKGE ClC[C@@]12CCCC[C@H]1N(c1ncc(I)cc1Br)CCC2 2189902772 ZMVPRXMUPAUUBO-HIFRSBDPSA-N 469.592 5.217 50 10 JKGE C[C@H]1OCC[C@H]1CCC(CBr)(CBr)c1ccc(Br)cc1 2196312972 DJEZTSIAJITQEV-CHWSQXEVSA-N 469.055 5.682 50 10 JKGE COc1cc2c(cc1Br)nc(CCl)n2CC(C)(C)N(C)Cc1ccccc1 2202292739 HZWZZMNWSYLILL-UHFFFAOYSA-N 450.808 5.457 50 10 JKGE CCOc1ccccc1[C@H](Br)c1ccc(Br)c(C)c1Br 2203682618 AJXCHAIBMKCHCD-INIZCTEOSA-N 463.007 6.403 50 10 JKGE CCCc1ccccc1[C@H](Br)c1ccc(Br)c(C)c1Br 2203696632 ZZTJXQWSCOGAIC-KRWDZBQOSA-N 461.035 6.957 50 10 JKGE BrCc1cccc(Br)c1OC[C@H]1CC1(Br)Br 2210245238 LDLYQNZFZQOCIL-MRVPVSSYSA-N 477.816 5.229 50 10 JKGE Cc1cc(Br)c([C@@H](Br)c2cc(Cl)c(Br)s2)s1 2211912839 QHRVDCYANSMUKH-QMMMGPOBSA-N 465.457 6.781 50 10 JKGE Cc1cc(Br)c([C@@H](Cl)c2cscc2Br)c(C)c1Br 2220151528 XAQBIPGZWRDSLR-ZDUSSCGKSA-N 473.455 6.981 50 10 JKGE Cl[C@@H](CCc1sc(Br)c(Br)c1Br)c1ccccc1 2222450936 XEZLSANVUDSZTF-VIFPVBQESA-N 473.455 6.948 50 10 JKGE Cc1csc([C@@H](Cl)c2c(Br)cc(Cl)c(Cl)c2Cl)c1Br 2224303083 RVUOJPXRXIMQBM-NSHDSACASA-N 483.867 7.870 50 10 JKGE O=C(Nc1ccc(Br)cc1I)c1cccc(CCl)c1 2231446202 ORYXBDZPSDQWNH-UHFFFAOYSA-N 450.501 5.045 50 10 JKGE Cc1ccc(I)c([C@@H](Br)c2ccc(C)c(Br)c2C)c1 2232219444 GJUUTHMAEZHBLE-INIZCTEOSA-N 494.008 6.463 50 10 JKGE Clc1cccc([C@@H](Br)c2c(Br)cc(Cl)c(Cl)c2Cl)c1Cl 2232512928 OZLYZVVACXBUDN-SNVBAGLBSA-N 498.256 8.200 50 10 JKGE Cc1cc(Br)c([C@@H](Cl)c2ccc(Cl)cc2Br)c(C)c1Cl 2232530167 PNFVRISOCBMOFO-HNNXBMFYSA-N 457.420 7.463 50 10 JKGE CCOCc1cc(Br)c([C@@H](Cl)c2c(Br)sc(C)c2C)s1 2233021581 YKISOCKBPBNJPY-LBPRGKRZSA-N 458.668 6.816 50 10 JKGE COc1ccc([C@H](Br)c2scc(Br)c2C)c(OC)c1Br 2234516847 KXESAKGCCXZTAK-NSHDSACASA-N 485.035 6.083 50 10 JKGE Cc1cc(Br)c([C@H](Br)[C@H]2CCC[C@@H]2C(C)C)c(C)c1Br 2235605415 RPXVHRZPMIBPFX-IIYDPXPESA-N 467.083 7.337 50 10 JKGE CCc1cc([C@H](Br)c2sccc2I)sc1Br 2243466041 AGDWWKXHWVXHPJ-VIFPVBQESA-N 492.039 6.223 50 10 JKGE CCN(C[C@@](C)(CI)O[C@@H]1CCCC12CCC2)C(=O)OC(C)(C)C 2250323021 JQOSTOHOIVDRKY-CRAIPNDOSA-N 451.389 5.177 50 10 JKGE Cl[C@H](c1cc2sc(Br)cc2s1)c1sccc1I 2252902056 JPGGNNRXEZQYKY-SNVBAGLBSA-N 475.623 6.720 50 10 JKGE Cc1c(Br)sc([C@H](Br)C[C@@H]2CCCCC23CC3)c1Br 2264950925 ZYTCVBIYQOVAIS-WDEREUQCSA-N 471.096 7.378 50 10 JKGE COc1ccc([C@@H](Br)c2scc(C)c2Br)c(Br)c1Cl 2268262605 WOUKBAKQJGZYBI-LLVKDONJSA-N 489.454 6.728 50 10 JKGE Cc1c(Br)ccc([C@H](Br)[C@@H]2CCC[C@@H]2C(F)F)c1Br 2270152508 BTELGBWCIUOUGG-VYUIOLGVSA-N 460.982 6.637 50 10 JKGE Brc1cc(Br)cc(C[C@@H](Br)[C@H]2C[C@@H]3CC[C@H](C2)O3)c1 2277954736 YPEPCBKSXOIFCK-QPKOPYBWSA-N 453.012 5.475 50 10 JKGE COc1c(Br)cc(Cl)c(C)c1[C@@H](Br)c1sncc1Br 2277980438 HSELQBJKGODUNL-SNVBAGLBSA-N 490.442 6.123 50 10 JKGE CCOc1ccc([C@H](Cl)c2c(F)cccc2I)c(Br)c1 2282785306 SHVGBICMCXDTGD-HNNXBMFYSA-N 469.519 5.920 50 10 JKGE CC(C=CC=C(C)C=CC1=C(C)[C@@H](OC(=O)C=CCCCCCCCO)CCC1(C)C)=CC=O 2294818756 SWZYVFQHDUIVRB-NDEPHWFRSA-N 468.678 7.128 50 10 JKGE CCc1ccc(Oc2nc3c(C)cccn3c(=O)c2C=C(C#N)c2nc3ccccc3s2)cc1 2296542735 GPHHHPCQSXBUGS-UHFFFAOYSA-N 464.550 6.032 50 10 JKGE CCCCOc1cccc(C=C(C#N)C(=O)Nc2ncc(Cc3cccc(C(F)(F)F)c3)s2)c1 2296819151 BVQNARTWSIVUOT-UHFFFAOYSA-N 485.531 6.477 50 10 JKGE Cc1ccc(C)c(CSC(Nc2c(C)cccc2C)=C(C#N)S(=O)(=O)c2ccccc2)c1 2297350005 LIFHHPVYKGYBAY-UHFFFAOYSA-N 462.640 6.432 50 10 JKGE N#CC(=Cc1ccc(-c2ccc([N+](=O)[O-])cc2Br)o1)c1nc2ccccc2s1 2297533086 CRJYDYXQDYUSNZ-UHFFFAOYSA-N 452.289 6.291 50 10 JKGE Brc1cc(OCc2ccccc2)ccc1[C@H](Br)[C@H]1[C@H]2COCC[C@H]21 2299495119 JVNMQHYGJDKFOZ-VUBSUSDNSA-N 452.186 5.747 50 10 JKGE C[C@@H](CC(F)(F)F)[C@@H](Br)c1ccc(OCc2ccccc2)cc1Br 2299504792 QDJWOQMZMHNTCK-YVEFUNNKSA-N 466.135 7.053 50 10 JKGE CC1(C)C[C@H]([C@@H](Br)c2ccc(OCc3ccccc3)cc2Br)CO1 2299529361 AYHORTRADMFZKC-HNAYVOBHSA-N 454.202 6.279 50 10 JKGE Cc1ccc([C@H](Br)c2sc(Cl)cc2I)cc1Cl 2300954059 RWYBVBMTVGAASH-NSHDSACASA-N 461.977 6.452 50 10 JKGE Cn1nc(Br)c(Br)c1[C@H](Cl)c1sc(Cl)cc1Br 2301045900 IRHZDGPEVWGUQU-LURJTMIESA-N 483.838 5.751 50 10 JKGE Cc1ccc(NC(=O)C(C#N)=Cc2cc(Cl)ccc2OCc2cccc3ccccc23)cc1 2313540919 CJDGVFRAUUVCPE-UHFFFAOYSA-N 452.941 6.926 50 10 JKGE N#CC(=Cc1cc(Cl)ccc1OCc1ccc(Cl)cc1)C(=O)Nc1ccccc1Cl 2313630459 AFUQQQFDYKVNGA-UHFFFAOYSA-N 457.744 6.771 50 10 JKGE C[C@@H]1Oc2ccccc2C=C1C=C(C#N)c1nc(-c2cccs2)c(NC(=O)c2ccccc2)s1 2314433128 KEEPPOLGIKTUIO-KRWDZBQOSA-N 481.602 6.895 50 10 JKGE CCCOc1cccc(-c2nn(-c3ccccc3)cc2C=C(C#N)c2nc3ccccc3s2)c1 2314476464 PANJFZXLXHEGPO-UHFFFAOYSA-N 462.578 7.002 50 10 JKGE CCCOc1ccc(C=C2C(=O)N(Cc3ccccc3Cl)C(=O)C(C#N)=C2C)cc1OCC 2314619617 CLWSIRPWGPOCPB-UHFFFAOYSA-N 464.949 5.320 50 10 JKGE CCCOc1ccc(C=C(C#N)C(=O)Nc2scc(-c3ccc(OC)cc3)c2C(=O)OCC)cc1 2314716696 HFQLOSQWDFQZGY-UHFFFAOYSA-N 490.581 5.935 50 10 JKGE Fc1c(Br)cc(Cl)c([C@H](Br)[C@@H]2CC[C@@H]3C[C@H]32)c1Br 2315450608 FXKQCHFQNMXTIA-OJKLQORTSA-N 461.394 6.486 50 10 JKGE Cc1cc([C@@H](Br)c2c(Cl)cc(Br)c(F)c2Br)cs1 2315451472 PLXAUHLUPATDEO-SNVBAGLBSA-N 477.418 6.858 50 10 JKGE CCOc1cc(C=NNC(=O)c2ccc3[nH]c4c(c3c2)CCCC4)ccc1OCc1ccc(C)cc1 2321672352 VCBHSEIBTRYRMP-UHFFFAOYSA-N 481.596 6.097 50 10 JKGE CCCCCCCCCOc1ccc(C=NNC(=O)[C@@H]2CCCN2C(=O)OC(C)(C)C)cc1Cl 2328829450 CUNKBXIIFRYPPV-QFIPXVFZSA-N 494.076 6.319 50 10 JKGE COc1cc(C=C(C#N)c2nc3ccc(C)cc3[nH]2)ccc1OCc1ccc(Cl)c(Cl)c1 2331018251 CKGVLBZGPHSTKM-UHFFFAOYSA-N 464.352 6.830 50 10 JKGE COCCOc1ccc(C=C(C#N)C(=O)NCC[C@@H](C)c2cccc(-c3ccc(O)cc3)c2)cc1 2331117823 OWACUZHPDOCVMK-OAQYLSRUSA-N 470.569 5.301 50 10 JKGE CCCOc1ccc(-c2csc(C(C#N)=C(O)COc3cccc(C)c3C)n2)cc1OCCC 2331293550 YENBIQLBWRRCEW-UHFFFAOYSA-N 478.614 6.876 50 10 JKGE COc1c(C)cc(Cl)cc1-c1csc(C(C#N)=C(O)Cc2cc(Cl)ccc2Cl)n1 2331392059 LXEGPJDYCGTRPA-UHFFFAOYSA-N 465.789 7.123 50 10 JKGE COc1c(Cl)cc(-c2csc(C(C#N)=C(O)C(C#N)=Cc3ccccc3)n2)cc1Cl 2331396483 FDXBZBCDUHTQNB-UHFFFAOYSA-N 454.338 6.525 50 10 JKGE CCOc1ccc(C=CC(O)=C(C#N)c2nc(-c3cc(Cl)c(OC)c(Cl)c3)cs2)cc1 2331396527 KJZDQCRFODNIEJ-UHFFFAOYSA-N 473.381 7.030 50 10 JKGE COc1cc(C)c(-c2csc(C(C#N)=Cc3ccc(OCCc4ccccc4)c(OC)c3)n2)cc1C 2331484626 UYHMNPNGBVPMAQ-UHFFFAOYSA-N 496.632 7.130 50 10 JKGE Cc1cc(Br)c([C@@H](Br)[C@H]2OCCO[C@H]2C)c(C)c1Br 2333708893 RDIZMHGXFMXGQC-FZZIBODNSA-N 457.000 5.068 50 10 JKGE BrCc1cc(Br)c(OC[C@H]2C[C@@H]3CC[C@H]2C3)c(Br)c1 2334278640 CILRIDHTVMWVGB-ADEWGFFLSA-N 453.012 5.922 50 10 JKGE FC(F)c1ccc([C@H](Br)c2cc(Br)ccc2OCc2ccccc2)cc1 2336085849 HPBAWFIQLNHNGM-FQEVSTJZSA-N 482.162 7.450 50 10 JKGE CCCc1sc(Br)cc1[C@@H](Br)c1c(Br)sc(C)c1C 2338025069 CDYMBMGQHKFMTN-CYBMUJFWSA-N 487.120 7.388 50 10 JKGE CCC[C@H](OC1(CI)CCN(C(=O)OC(C)(C)C)CC1)c1ccccc1 2340462115 AWAFIGMYXVOWMJ-SFHVURJKSA-N 473.395 5.749 50 10 JKGE CC1(C)C[C@@H](CBr)CN(Cc2ccc(Cl)cc2I)C1 2341010731 INKDRSUAZUTOHW-NSHDSACASA-N 456.593 5.188 50 10 JKGE Cc1ccc(OCc2cc(I)ccc2Br)c(CCl)c1 2341780457 PMOFRTYPSIJRIY-UHFFFAOYSA-N 451.529 5.680 50 10 JKGE Brc1cc(CN2C[C@H]3C[C@H](Br)CC[C@H]3C2)ccc1I 2349847805 MSUSIWAIZXSCDQ-YNEHKIRRSA-N 499.028 5.049 50 10 JKGE Cc1cc(Br)c(C(C)C)cc1[C@@H](Cl)c1cc(I)sn1 2352793429 GVRKAABXDOEKHN-CQSZACIVSA-N 470.601 6.270 50 10 JKGE Brc1cc(Br)cc(O[C@@H]2C[C@@H](Br)[C@]23CCCC32CC2)c1 2364103405 JDPUXALNSXWSQW-IIAWOOMASA-N 465.023 6.077 50 10 JKGE Cc1cccc([C@H](Br)c2c(C)cc(Br)c(F)c2Br)c1F 2365180576 SJKHRUHOPBIBRB-LBPRGKRZSA-N 468.961 6.591 50 10 JKGE COc1ccc([C@@H](Br)c2ccc(Cl)cc2I)c(C)c1C 2365596664 WTWLZFSIRHRKJY-MRXNPFEDSA-N 465.556 6.054 50 10 JKGE Clc1cc(Cl)cc(CC[C@@H](Cl)c2cc(Br)ccc2Br)c1 2366876770 PPIOYTWVYNGLJU-OAHLLOKOSA-N 457.420 7.431 50 10 JKGE O=C(c1cc(Br)c(Br)s1)N1CCC[C@H](Cl)[C@@H]1C(F)(F)F 2370266864 YTZVPCVQLXYMME-POYBYMJQSA-N 455.521 5.047 50 10 JKGE Cc1cc(Cl)c([C@@H](Cl)c2cc(Br)c(C)cc2Br)c(Cl)c1 2381313819 JDLXJSDYPJETTC-HNNXBMFYSA-N 457.420 7.463 50 10 JKGE CC(C)=CCC/C(C)=C/C=N/NC(=O)COc1c(C)cc(Br)cc1Br 12483330 FFJQMRAXEJLJCZ-CZVBWLIWSA-N 472.221 5.694 50 10 JKGE CC[C@H](C)c1ccc(OCC(=O)NNC(=O)c2ccc(-c3ccccc3)cc2)c(Br)c1 14832205 IIURQXZRZFHQDV-KRWDZBQOSA-N 481.390 5.470 50 10 JKGE COc1cccc(/C=C/C(=O)Oc2ccc(/C=C(/C#N)c3ccc(OC)c(OC)c3)cc2OC)c1 31902099 XFNHFWVJMWYJJF-PRSXHFSJSA-N 471.509 5.404 50 10 JKGE N#C/C(=C/c1ccc(-c2cc(Cl)c(Cl)cc2Cl)o1)c1nn(-c2ccccc2)c(N)c1C#N 33472970 GIGJSNLYSLRZOF-JYRVWZFOSA-N 480.742 6.611 50 10 JKGE N#CC1=C(N)Oc2cc(OC(=O)c3cccc([N+](=O)[O-])c3)ccc2[C@@H]1c1cccc2ccccc12 38657976 PTARPIKFUIHWBT-VWLOTQADSA-N 463.449 5.185 50 10 JKGE CCOc1cccc(-c2nn(-c3ccccc3)cc2/C=C(\C#N)S(=O)(=O)c2ccc(C)c(C)c2)c1 39850267 MDZFYPMERHBEKO-WPWMEQJKSA-N 483.593 5.893 50 10 JKGE Cc1ccc(NC(=O)c2oc3c(c2C)/C(=N/NC(=O)c2ccccc2C)CCC3)c(Br)c1 40811559 IYDNXKWHRKQGOR-VFCFBJKWSA-N 494.389 5.690 50 10 JKGE CCOc1ccc(C(=O)Oc2ccc(/C=N/NC(=O)c3ccc(C(C)(C)C)cc3)cc2OC)cc1 48572565 MBHRPOBZZJLUKZ-RDRPBHBLSA-N 474.557 5.375 50 10 JKGE Cc1cccc(COc2ccc(Br)cc2/C=N\NC(=O)CC[C@@H](O)c2ccccc2)c1 58892504 GGSQNXPVLLOBEF-MAAPNWIXSA-N 481.390 5.300 50 10 JKGE N#C/C(=C/c1ccccc1OCc1ccc(F)cc1)C(=O)Nc1sc2c(c1C#N)CCCC2 59116611 VEYRSCSAUJEBJV-UYRXBGFRSA-N 457.530 5.762 50 10 JKGE CCOc1cc(/C=C(\C#N)C(=O)Nc2cc(C)ccc2C)ccc1OCc1ccc(Cl)cc1 59198810 ALSBGKATSIQKPC-HYARGMPZSA-N 460.961 6.480 50 10 JKGE COc1ccc(CNC(=O)/C(C#N)=C/c2cn(Cc3ccccc3Cl)c3ccccc23)cc1 59224678 VGCCWNQGCVBOIN-KGENOOAVSA-N 455.945 5.575 50 10 JKGE BrC[C@@H](CCOc1cccc(Br)c1)Cc1ccc(Br)cc1 97183098 WUTVXTJGAUGTEZ-AWEZNQCLSA-N 477.034 6.234 50 10 JKGE COc1cc(/C=C2/C(=O)N([C@H](C)c3ccccc3)C(=O)C(C#N)=C2C)ccc1OCc1ccc(F)cc1 101337980 YEHVCCACGOQTKA-PXMCARDJSA-N 496.538 5.767 50 10 JKGE Brc1cc([C@@H](Br)[C@@H]2Cc3ccccc3O2)c(Br)s1 109869928 MLCPMVHKEOWBRB-CMPLNLGQSA-N 452.993 5.713 50 10 JKGE Brc1ccc(CO[C@@H](CI)c2ccccc2Br)cc1 162534146 HLQPVJHQDODXQM-HNNXBMFYSA-N 495.980 5.905 50 10 JKGE Cc1ccc(Br)c([C@@H](Br)c2csc3c(Br)cccc23)c1 163507331 MAKNDCNXEHJQRZ-OAHLLOKOSA-N 475.043 7.219 50 10 JKGE Cc1cc(Br)c([C@H](Br)[C@H]2CCCCC2(C)C)cc1Br 226684399 JRGKSPDEKJQTJN-DOMZBBRYSA-N 453.056 7.172 50 10 JKGE Cc1cc([C@@H](Br)c2cc(Br)cc(Br)c2)c(C)cc1Cl 235861900 USIPSFMINVSSFG-HNNXBMFYSA-N 467.426 6.966 50 10 JKGE C[C@H](Oc1ccc(OCc2ccccc2)cc1)C(=O)NN=Cc1c[nH]c2ccc(Br)cc12 252600522 DSCCPOIAZFWWQV-KRWDZBQOSA-N 492.373 5.427 50 10 JKGE COc1cc(C=NNC(=O)COc2ccccc2-c2ccccc2)ccc1OCc1ccc(F)cc1 254669055 OCYXJTCLXIECMM-UHFFFAOYSA-N 484.527 5.609 50 10 JKGE COc1cc(C=NNC(=O)COc2cc(C(C)C)ccc2C)ccc1OC(=O)c1ccc(C)cc1 254873432 DQLAEWQYDNVLTG-UHFFFAOYSA-N 474.557 5.184 50 10 JKGE CC1(C)[C@]2(C)CC[C@@]1(C(=O)Nc1nc3ccc(Br)cc3s1)[C@@H](Br)C2=O 256018936 AXNGMIFDLJZHHD-RZAIGCCYSA-N 486.229 5.156 50 10 JKGE Clc1cc([C@H](Cl)c2sccc2I)sc1Br 306284200 CSJDUGOTPTYWMF-ZETCQYMHSA-N 453.979 6.158 50 10 JKGE C[C@H](Br)c1cnnn1-c1c(Br)cc(Br)cc1Br 382450706 KWGRNUTUZOCPOW-YFKPBYRVSA-N 488.803 5.011 50 10 JKGE Cc1ccc([C@H]2CN(C(=O)OCc3ccccc3)C[C@H]2CBr)c(Br)c1 382689934 LMCSPNFGGQKIPV-AEFFLSMTSA-N 467.201 5.505 50 10 JKGE Fc1cccc2nc(CCl)n(-c3cc(Br)ccc3I)c12 383415562 AKOMGZNSCGGLBM-UHFFFAOYSA-N 465.491 5.271 50 10 JKGE Cc1nc(COc2c(Br)cc(Br)cc2CBr)cs1 384956710 HEWMBBHMVCTNDX-UHFFFAOYSA-N 455.997 5.450 50 10 JKGE COc1cc(Br)c([C@H](Br)c2nscc2Br)cc1OC 404799395 UTMZHPAKEMXHMI-NSHDSACASA-N 471.996 5.170 50 10 JKGE CC(C)(C)[Si](C)(C)OCCc1cccc([C@@H]2CCN(Cc3ccccc3)c3ccccc32)c1 616589662 SNDAONFFJZNWDZ-MHZLTWQESA-N 457.734 7.793 50 10 JKGE CC(C)(C)[Si](C)(C)OCc1ccc([C@H]2Cc3ccccc3N(S(=O)(=O)c3ccccc3)C2)cc1 616690373 NYFKOBGPOQLLJQ-VWLOTQADSA-N 493.745 6.744 50 10 JKGE CN(Cc1ccccc1)CC(C)(C)n1c(CCCl)nc2ccc(F)c(Br)c21 689748383 RZSGYDVIZMIMPP-UHFFFAOYSA-N 452.799 5.586 50 10 JKGE Fc1cc([C@@H](Br)Cc2ccc(Br)cc2F)c(F)cc1Br 692792919 QOTWLWUDQRCFRW-JTQLQIEISA-N 472.924 6.308 50 10 JKGE Cc1cc(F)c([C@@H](Br)c2ccc(I)c(Br)c2)cc1C 721613285 KVYQMZGCZMBCAE-HNNXBMFYSA-N 497.971 6.294 50 10 JKGE COc1ccc([C@H](Br)c2cccc(F)c2I)c(Br)c1 721693133 SHZRWAFJMIZFFP-ZDUSSCGKSA-N 499.943 5.686 50 10 JKGE O=[N+]([O-])c1ccc(C[C@H](Br)c2cccc(F)c2I)cc1 721735159 FDSDDWFJORYHCH-LBPRGKRZSA-N 450.045 5.017 50 10 JKGE Cc1c(Cl)cccc1NC(=O)/C(C#N)=C/c1ccccc1OCc1ccc(Cl)cc1Cl 1083908866 GMIJZSYAQRBZOK-WOJGMQOQSA-N 471.771 7.080 50 10 JKGE CCCOc1ccc(Br)cc1/C=C(/C#N)C(=O)Nc1cccc(C(F)(F)F)c1 1083910983 UAXBUZXSPMTOKY-ZROIWOOFSA-N 453.258 5.802 50 10 JKGE O=C(Nc1ccccc1C(=O)NN=Cc1ccc(OCc2ccc(F)cc2)cc1)c1ccco1 1084205539 SKUMNIQUOATWCC-UHFFFAOYSA-N 457.461 5.014 50 10 JKGE CCOc1ccc([C@@H](O)CCC(=O)NN=Cc2ccc(-c3cccc(Cl)c3Cl)o2)cc1 1084247827 UDCSYSXNKFXENB-FQEVSTJZSA-N 461.345 5.616 50 10 JKGE COc1cc(C=NNC(=O)c2ccc(CSc3ccccc3)cc2)cc(Br)c1O 1084431546 VKURSPSDEMPWIB-UHFFFAOYSA-N 471.376 5.220 50 10 JKGE CC(=NNC(=O)CCCSc1nc2ccc([N+](=O)[O-])cc2s1)c1ccc2ccccc2c1 1084536858 FVCVJLJCMLHOHG-UHFFFAOYSA-N 464.572 5.770 50 10 JKGE COc1cc(/C=C(\C#N)c2ccccc2OC)ccc1OC(=O)c1cc2ccccc2oc1=O 1615066006 FABNZFZVTGETJC-CPNJWEJPSA-N 453.450 5.094 50 10 JKGE COc1cccc(NC(=O)c2oc3c(c2C)C(=NNC(=O)c2ccc(-c4ccccc4)cc2)CCC3)c1 1772746133 CHSANEGOIBVTCI-UHFFFAOYSA-N 493.563 5.986 50 10 JKGE O=C(COc1ccc(-c2ccccc2)cc1Br)NN=Cc1c(F)cccc1Cl 1772753069 ZLONIOWVVJQCIM-UHFFFAOYSA-N 461.718 5.438 50 10 JKGE Cc1ccc(-n2nc(-c3ccccc3)c3c2OC(N)=C(C#N)[C@H]3c2c(F)cccc2Cl)cc1 1865681930 BCWDFXNRLZRPGT-NRFANRHFSA-N 456.908 5.858 50 10 JKGE CCOc1ccc([C@@H]2C(C#N)=C(N)Oc3c2c(-c2ccccc2)nn3Cc2ccccc2F)cc1 1865692559 CINBOVBENIASPK-XMMPIXPASA-N 466.516 5.354 50 10 JKGE CCCOc1c(OC)cccc1[C@@H]1C(C#N)=C(N)Oc2c1c(CC)nn2-c1ccc(Cl)cc1 1865693731 QOHQUIGCGKZIKM-OAQYLSRUSA-N 464.953 5.104 50 10 JKGE CCOc1ccc([C@@H]2C(C#N)=C(N)Oc3c2c(-c2ccccc2)nn3Cc2ccc(C)cc2)cc1OC 1865695414 OKRUAWVZCCWGBG-AREMUKBSSA-N 492.579 5.532 50 10 JKGE C/C(=C\c1ccccc1Cl)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)Nc1ccc(SC#N)cc1 1866816525 VQSDCGYNOWNBGT-DTKKNGCVSA-N 492.000 5.388 50 10 JKGE CCCCc1ccc(-c2csc(/C(C#N)=C(\O)[C@H]3CC(=O)N([C@@H](C)c4ccccc4)C3)n2)cc1 1872744875 MLSCTQKRUWYZBP-UIASLDASSA-N 471.626 6.555 50 10 JKGE CCCCc1ccc(-c2csc(/C(C#N)=C(\O)CCCOc3ccc4ccccc4c3)n2)cc1 1872745024 TYASVNBBXPHDBG-SGEDCAFJSA-N 468.622 7.958 50 10 JKGE COc1cc(C)c([C@H](Br)c2ccccc2OCc2ccccc2)cc1Br 1901677789 SVJASBMGGILEJN-JOCHJYFZSA-N 476.208 6.829 50 10 JKGE CC1(C)C[C@]1(CBr)Cc1ccc(I)c(Br)c1 1904344718 XSXADEBIFIJLMV-ZDUSSCGKSA-N 457.975 5.407 50 10 JKGE O=S(=O)(c1ccccc1N(Cc1ccccc1)[C@@H](CBr)C1CC1)C(F)(F)F 1915188462 HXCXPWBBTCMOLT-KRWDZBQOSA-N 462.331 5.160 50 10 JKGE C[C@H]1CN(Cc2ccccc2)C[C@@H](C)N(c2ccc(CBr)c(Br)c2)C1 1921462682 GUHLOPUAGXYDQU-DLBZAZTESA-N 466.261 5.691 50 10 JKGE Cc1c(Br)sc([C@@H](Br)c2cccc(Cl)c2F)c1Br 1922953750 HFLJXXHWDFXBIR-VIFPVBQESA-N 477.418 6.858 50 10 JKGE COc1ccc(C[C@H](Br)c2c(Br)sc(Br)c2Cl)cc1 1923068016 LSAHDBSZSLAORW-VIFPVBQESA-N 489.454 6.614 50 10 JKGE CC1([C@H](Cl)c2c(Br)sc(Br)c2Br)CCCCC1 1924583846 PQFUSAIAZDZTHC-SECBINFHSA-N 465.476 7.286 50 10 JKGE Cl[C@@H](c1c(Br)sc(Br)c1Br)[C@@H]1CC12CCOCC2 1924607512 VZBBEGXLRCMRKB-IMTBSYHQSA-N 479.459 6.132 50 10 JKGE C[C@@H]1O[C@H](C)C[C@@H]1[C@H](Cl)c1c(Br)sc(Br)c1Br 1924611964 HUEBUZTYVCAISE-OLHMAJIHSA-N 467.448 6.129 50 10 JKGE Clc1sc(Br)c(Cl)c1[C@H](Cl)c1ccc(I)cc1 1925567378 BVROPYJJHVHCEZ-MRVPVSSYSA-N 482.395 6.750 50 10 JKGE Brc1cc([C@@H](Br)c2ncn3ccsc23)c(Br)s1 2024755592 KBVYZYQHPVLCOJ-SSDOTTSWSA-N 457.010 5.467 50 10 JKGE Cc1cc(Br)c(F)c([C@@H](Br)c2sc(C)cc2Br)c1 2028924130 OGAJJDWBXQYREL-LLVKDONJSA-N 457.000 6.513 50 10 JKGE CN(c1cc(Br)ccc1CBr)[C@H]1CC(C)(C)[C@H]1OCc1ccccc1 2038795198 RPLFAISSFLEAHA-PMACEKPBSA-N 467.245 6.164 50 10 JKGE Cc1csc([C@H](Br)[C@@H](C)c2ccncc2Br)c1Br 2039335468 DKRCGPZZSQUOBD-QPUJVOFHSA-N 454.025 6.216 50 10 JKGE C[C@H]1CN(Cc2ccccc2)CCN(c2cc(Br)cc(F)c2CBr)C1 2051131214 HSUWXMGBBUDFEK-HNNXBMFYSA-N 470.224 5.441 50 10 JKGE CCn1ncc(Br)c1C[C@H](CBr)c1cccc(Br)c1 2094299834 NJLOTWQQGGXQTO-LLVKDONJSA-N 451.000 5.149 50 10 JKGE C[C@@H](CCCCCI)NC(=O)c1ccc(Cl)c(Br)c1 2117895684 UMGOLXLSLOSAGM-JTQLQIEISA-N 458.565 5.216 50 10 JKGE O=C(N[C@H](CBr)c1cccs1)c1cccc(Br)c1Br 2119036582 AAGRRNUGUGBXLG-SNVBAGLBSA-N 468.008 5.139 50 10 JKGE CN(c1ccc(Br)cc1CBr)[C@@H]1C[C@@H]2C[C@@H](OCc3ccccc3)C[C@@H]21 2134020151 UDXPJJYFCZYSDI-QRXQEZHUSA-N 479.256 6.164 50 10 JKGE CC[C@]1([C@@H](Br)c2c(C)c(Br)cc(C)c2Br)CC1(F)F 2136374158 JOETVZYSDAITDC-QWHCGFSZSA-N 460.982 6.700 50 10 JKGE Fc1cc(Br)cc([C@H](Br)c2cc(Br)c3c(c2)CCO3)c1 2146628496 OEVZFOJJUNZFJB-CQSZACIVSA-N 464.954 5.770 50 10 JKGE Brc1cccc([C@@H](Br)Cc2nc3ccccc3s2)c1Br 2148762657 XUZRHEMAQQDNGZ-NSHDSACASA-N 476.031 6.500 50 10 JKGE COc1ccc(C[C@@H](Br)c2cccc(Br)c2Br)cc1F 2168409331 HWZUCNFHXWIFDI-GFCCVEGCSA-N 466.970 6.038 50 10 JKGE Fc1ccc([C@@H](CI)OCc2cc(Cl)ccc2Br)cc1 2200749031 AUMKBAVBUAEGAB-OAHLLOKOSA-N 469.519 5.935 50 10 JKGE Cc1cc(CN(C)c2c(CCl)ccc(Br)c2Cl)sc1Br 2202301713 NRWRNBKOUHQWPQ-UHFFFAOYSA-N 458.046 6.610 50 10 JKGE Brc1ccc([C@H](Br)[C@@H]2C[C@@H]2C2CCCCCC2)c(Br)c1 2203683274 CSTJJTJQKQYYAO-INMHGKMJSA-N 465.067 7.254 50 10 JKGE Cc1c(Br)ccc([C@H](Br)[C@H]2CC[C@@]3(C2)CC3(F)F)c1Br 2203687314 WUWKUWUAZRUQBO-CUOATXAZSA-N 472.993 6.782 50 10 JKGE Fc1cccc([C@@H](CI)OCc2ccc(F)cc2Br)c1 2206270357 WVQFAVONNRBJSW-OAHLLOKOSA-N 453.064 5.420 50 10 JKGE CCOCc1cc(Br)c([C@H](Br)c2occc2Br)s1 2217989571 YDVKNEJLVADQJC-SNVBAGLBSA-N 458.997 5.887 50 10 JKGE Clc1cc(Br)ccc1C[C@@H](Br)c1ccccc1Br 2221698493 XLSJDMKENMCGMU-CYBMUJFWSA-N 453.399 6.544 50 10 JKGE FC(F)(CC1CC1)[C@@H](Br)c1c(Br)cc(Cl)c(Cl)c1Cl 2224325349 XNSKTHKKPNKZRB-NSHDSACASA-N 457.367 7.281 50 10 JKGE Fc1ccc([C@H](Br)c2cc(Br)c(Br)cc2F)cc1Cl 2225616981 KZXINPGOIQZNFU-ZDUSSCGKSA-N 475.352 6.628 50 10 JKGE Cc1csc([C@H](Br)c2c(C)c(Br)cc(C)c2Br)c1C 2225886929 RVFBRBNVPKIPEE-CQSZACIVSA-N 467.064 6.991 50 10 JKGE Cc1c(Br)sc([C@H](Cl)c2c(F)ccc(Cl)c2F)c1Br 2226585438 HXFCKEMQGPMELP-SECBINFHSA-N 450.957 6.841 50 10 JKGE CCc1occc1[C@@H](Br)c1c(Br)cc(C)c(Br)c1C 2227349523 RYKPIOSIICEUQR-OAHLLOKOSA-N 450.996 6.468 50 10 JKGE Cc1cc([C@H](Br)c2c(Br)cc(C)c(Br)c2C)sc1C 2227351405 MCGANODLWUYQSN-HNNXBMFYSA-N 467.064 6.991 50 10 JKGE Cc1cc(Br)c([C@@H](Br)CCCC(F)(F)F)c(C)c1Br 2227360385 ROQWDRVDWGTHAF-VIFPVBQESA-N 466.961 6.997 50 10 JKGE Clc1ccc(Br)c([C@H](Cl)c2c(Br)cc(Cl)c(Cl)c2Cl)c1 2232509967 FUTZYTIWITVTCC-NSHDSACASA-N 498.256 8.153 50 10 JKGE COc1cccc(C[C@H](Br)c2cc(Br)c(Br)cc2F)c1 2233976662 PXUWEDDEDKVCPV-LBPRGKRZSA-N 466.970 6.038 50 10 JKGE C[C@@H]1CC[C@](C)([C@H](Br)c2cc(Br)c(Br)cc2F)C1(C)C 2233977518 VQTFQJPOCNKQJV-OYBNVQJLSA-N 471.046 7.249 50 10 JKGE Cc1sc([C@H](Br)c2cc(Br)c3c(c2)C[C@H](C)O3)cc1Br 2234479288 FLRSNFFJRXRLKV-JKYUHCHBSA-N 481.047 6.389 50 10 JKGE Cc1cc(Br)c([C@H](Br)[C@]23CO[C@](CF)(C2)C3)c(C)c1Br 2235612827 SDYPEBJEODNMGG-KKUMJFAQSA-N 471.002 5.783 50 10 JKGE COCc1cc(Br)c([C@H](Cl)Cc2ccc(Br)cc2Cl)s1 2237455524 NGKMDSKJYCIJGE-CYBMUJFWSA-N 459.030 6.596 50 10 JKGE Clc1c(Br)ccc(CBr)c1O[C@@H]1CCN(Cc2ccccc2)C1 2244775256 MAQWSWLXOHVQPF-OAHLLOKOSA-N 459.609 5.651 50 10 JKGE Fc1cc(C[C@H](Br)c2scc(Br)c2Br)ccc1Cl 2263467384 VGQZJLBNIADRNI-ZETCQYMHSA-N 477.418 6.744 50 10 JKGE CCCc1ncc2nc([C@H](C)Cl)n(CCCN(Cc3ccccc3)Cc3ccccc3)c2n1 2271110030 SZVLYNNLIYZNRZ-NRFANRHFSA-N 462.041 6.171 50 10 JKGE CC1(C)CCC[C@H]1[C@H](Br)c1c(F)cc(Br)c(F)c1Br 2272741397 UWCVEEGFUUSTSN-CPCISQLKSA-N 460.982 6.752 50 10 JKGE Brc1cc(Br)cc(C[C@@H](Br)[C@@H]2CC3CCC2CC3)c1 2277960387 HFMGGOJZQHWYDQ-UGGLIUNPSA-N 451.040 6.344 50 10 JKGE COc1ccc([C@H](Br)c2ccc(I)c(Cl)c2)c(C)c1C 2284533089 GCALRSMRIYKWKJ-MRXNPFEDSA-N 465.556 6.054 50 10 JKGE Fc1ccc(Br)c([C@H](Cl)c2c(F)cc(Br)c(F)c2Br)c1 2288496193 FBZHRRJUFFFMEI-LBPRGKRZSA-N 493.342 6.720 50 10 JKGE CC1CCN(C(=O)C(C#N)=C2S[C@@H](Cc3ccc(Cl)cc3)C(=O)N2c2ccccc2)CC1 2296507056 RATHZFGWIWJQID-QFIPXVFZSA-N 466.006 5.025 50 10 JKGE N#CC(=CNc1ccc(Cl)c(C(F)(F)F)c1)c1nc(-c2ccc(Cl)cc2Cl)cs1 2296800841 ZPJPNASPXXMFBU-UHFFFAOYSA-N 474.722 7.766 50 10 JKGE Cc1cc(Br)c([C@@H](Cl)c2c(Br)c(Br)nn2C)s1 2301044603 SJEXQNGWOYKZSY-ZETCQYMHSA-N 463.420 5.406 50 10 JKGE FC1(F)CC2(C[C@H]2[C@@H](Br)c2sc(Cl)cc2I)C1 2301081677 RECHJYXAYMQPAI-YLWLKBPMSA-N 453.517 5.878 50 10 JKGE COc1cc(C=C(C#N)C(=O)Nc2ccc(C)c(C)c2)ccc1OCc1cccc2ccccc12 2313511182 SILUZJHAIBNGJJ-UHFFFAOYSA-N 462.549 6.590 50 10 JKGE CCc1ccc(NC(=O)C(C#N)=Cc2cc(Cl)ccc2OCc2ccc(Cl)cc2)cc1 2313670597 IYTMRWQERRUNSQ-UHFFFAOYSA-N 451.353 6.680 50 10 JKGE COc1ccc(CNC(=O)C(C#N)=Cc2ccc(OCc3ccc(Cl)c(Cl)c3)c(OC)c2)cc1 2313670606 JZOLPDDWZHFYGP-UHFFFAOYSA-N 497.378 5.813 50 10 JKGE CCOC1CC(C[C@H](Br)c2ccc(OCc3ccccc3)cc2Br)C1 2314449177 NVOHCSIQVIVZJV-NLPFYKDJSA-N 468.229 6.669 50 10 JKGE Brc1cc(OCc2ccccc2)ccc1[C@@H](Br)[C@@H]1CC[C@H]2C[C@H]2CC1 2314454804 JGBZZVCXNYRXRU-SUWCGCSTSA-N 464.241 7.290 50 10 JKGE N#CC(=Cc1cn(-c2ccccc2)nc1-c1ccccc1)C(=O)Nc1ccc([N+](=O)[O-])cc1Cl 2314489196 PKSMMUDNWSOGEI-UHFFFAOYSA-N 469.888 5.647 50 10 JKGE CCc1ccc(C[C@H]2SC(=C(C#N)C(=O)Nc3ccccc3)N(c3ccc(OC)cc3)C2=O)cc1 2314592429 TUKBSZAUDWGQOE-RUZDIDTESA-N 483.593 5.323 50 10 JKGE C=CCNC(=O)C(C#N)=C1S[C@H](Cc2ccc(C(C)C)cc2)C(=O)N1c1ccc(C(C)C)cc1 2314593035 GJZQBGMORXPREJ-RUZDIDTESA-N 473.642 5.662 50 10 JKGE CC[C@@]1(C)[C@@H](Br)CCN1C(=O)c1cc(Br)c(Br)s1 2315152413 RJIFSXWLPRKMFA-CABZTGNLSA-N 460.029 5.051 50 10 JKGE CCCc1sc(Br)cc1[C@@H](Br)c1cc(Br)c(C)s1 2316173441 VCYRRJRQJWWRBH-CYBMUJFWSA-N 473.093 7.080 50 10 JKGE Cc1ccc(-c2csc3ncn(CC(=O)C(C#N)=C4Nc5ccccc5S4)c(=O)c23)cc1C 2320729583 XMRQYCQGZFLMPZ-UHFFFAOYSA-N 470.579 5.264 50 10 JKGE CC(C)c1ccccc1NC=C(C#N)C(=O)N1CCN(C(c2ccccc2)c2ccccc2)CC1 2324598964 RYXLJUYEGYAOGC-UHFFFAOYSA-N 464.613 5.563 50 10 JKGE FC1(F)[C@H]2C[C@H]([C@@H](Br)c3c(Cl)sc(Br)c3Cl)CC[C@H]21 2329710637 WJABYZUHEUMXPP-MNCSTQPFSA-N 454.989 6.935 50 10 JKGE CCn1c(C(C#N)=Cc2ccc(-n3nc(-c4ccccc4)cc3-c3ccccc3)cc2)nc2ccccc21 2331071878 VOTDLIXSXODLTL-UHFFFAOYSA-N 491.598 7.640 50 10 JKGE COc1cccc(-c2csc(C(C#N)=C(O)C(=Cc3ccc(OC(C)C)cc3)c3ccccc3)n2)c1 2331246774 WAIMZWQKQOAELV-UHFFFAOYSA-N 494.616 7.639 50 10 JKGE C[C@@H](c1ccccc1)N1C[C@@H](C(O)=C(C#N)c2nc(-c3cccc4ccccc34)cs2)CC1=O 2331339317 XZSCXKQZKDSDLG-RXVVDRJESA-N 465.578 6.366 50 10 JKGE CCCOc1c(Br)cc(C=C(C#N)c2nc(-c3ccccc3Cl)cs2)cc1OC 2331430736 VCOOAHDNFQZZAN-UHFFFAOYSA-N 489.822 7.088 50 10 JKGE Cc1cc(Br)c(F)c(Br)c1[C@@H](Br)c1cc(Cl)n(C)n1 2339682277 QRYLLUVYJRYDAR-JTQLQIEISA-N 475.381 5.530 50 10 JKGE Cc1c(Br)sc([C@H](Cl)c2c(Cl)cc(F)cc2Cl)c1Br 2340797015 BZVLYFBMCANYID-SNVBAGLBSA-N 467.412 7.356 50 10 JKGE CC1(C)CCN(Cc2ccc(Cl)cc2I)C[C@@H]1CBr 2341031923 GRSYFFSURPKZSI-LBPRGKRZSA-N 456.593 5.188 50 10 JKGE CCOc1ccc([C@@H](Br)c2csc(Br)c2Br)c(F)c1 2341733308 PLCPMBSPPQIYLX-LLVKDONJSA-N 472.999 6.295 50 10 JKGE CC(C)c1nc(Br)c(Br)n1C[C@@](C)(CBr)C(C)(C)C 2352100502 TZSYCANZEWXISJ-CQSZACIVSA-N 459.064 5.979 50 10 JKGE FC(F)(F)[C@@H]1C[C@H](Br)CCN1Cc1ccc(I)c(Cl)c1 2361423677 LWURXVVYEVKXSH-SKDRFNHKSA-N 482.509 5.235 50 10 JKGE CN(Cc1ccc(Cl)c(I)c1)C[C@H](Br)C1CCCCC1 2362379466 MUTAKMBZTAQLEO-AWEZNQCLSA-N 470.620 5.720 50 10 JKGE COc1c(Cl)cc(Br)cc1[C@@H](Br)c1c(Br)nc(C)n1C 2362487322 NUBWLIVGQKHJIQ-SNVBAGLBSA-N 487.417 5.400 50 10 JKGE COc1c(Br)cc(C)c([C@H](Br)C[C@@]23CCC[C@@H]2C3)c1Br 2365192510 CMOYGTGIBBBETF-SIVJFFJCSA-N 467.039 6.545 50 10 JKGE CCOc1ccc([C@@H](Br)c2ccc(Br)cc2Br)c(F)c1 2367459139 LOJBXVGBMLTGAK-HNNXBMFYSA-N 466.970 6.234 50 10 JKGE CC(C)(C)[C@@H]1CC[C@@H]1[C@@H](Br)c1c(Br)cc(Cl)c(Cl)c1Cl 2369056550 QHGBOXGOOKMEFC-JOAULVNJSA-N 463.468 7.918 50 10 JKGE Cc1scc([C@@H](Br)c2cc3nc(O)[nH]c3cc2Br)c1Br 2369593979 MLSAVGXGRQXPHI-LBPRGKRZSA-N 481.007 5.648 50 10 JKGE Cl[C@@H](c1cc2c(cc1Br)OCCC2)c1ccccc1I 2369625707 PRSDPJSMYUOSIL-MRXNPFEDSA-N 463.540 5.707 50 10 JKGE O=C(c1csc(Br)c1Br)N1CCC[C@@H](Br)[C@@H]1C(F)(F)F 2370254056 YRPVOQWPRVEROT-HTRCEHHLSA-N 499.972 5.204 50 10 JKGE C[C@@H]1[C@@H](C(F)(F)F)N(C[C@@](C)(CBr)C(C)(C)C)CCN1C(=O)OC(C)(C)C 2380182223 FQKXJKJXRGGKKF-QWQRMKEZSA-N 459.391 5.306 50 10 JKGE Fc1cc(F)c(OCc2cc(I)ccc2Cl)c(CBr)c1 2380521002 BOTDJNFBURQFCT-UHFFFAOYSA-N 473.482 5.697 50 10 JKGE N#C/C(C(=O)NCc1ccco1)=C1\S[C@H](Cc2cc(Cl)ccc2Cl)C(=O)N1c1ccccc1 11666548 UOLHEUCAQYTLRO-QBHDBVHESA-N 498.391 5.329 50 10 JKGE CC[C@H](C)c1ccc(OCCOc2ccc(Cl)cc2/C=C(/C#N)C(=O)Nc2ccc(C)cc2)cc1 34705726 DRASBRCUUJDBGY-HLJDWQABSA-N 489.015 7.165 50 10 JKGE CCc1ccc(O[C@@H](C)C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@H]3c2ccc(CC)cc2)cc1 38677547 DGLOKUVPBRZOIZ-MYUZEXMDSA-N 468.553 5.402 50 10 JKGE Cc1ccc(-c2nn(-c3ccccc3)cc2/C=C(\C#N)S(=O)(=O)c2ccc(C)c(C)c2)cc1 39850269 WITNMKLJAJJSOA-WGOQTCKBSA-N 453.567 5.803 50 10 JKGE Cc1cccn2c(=O)c(/C=C(\C#N)C(=O)Nc3ccc(F)cc3)c(Oc3ccc(C(C)(C)C)cc3)nc12 39992819 HZFVKBYURIJBRA-KNTRCKAVSA-N 496.542 5.778 50 10 JKGE Cc1cc(OCC(=O)N/N=C/c2ccc(C(C)(C)C)cc2)c(Br)c(C)c1Cl 40950726 NEJKVGAFEIRARC-BHGWPJFGSA-N 451.792 5.546 50 10 JKGE Cc1ccc(Br)cc1[C@@H](Br)c1cc(Cl)c(Br)cc1F 97895654 JMAVWTTYDDMXCO-CQSZACIVSA-N 471.389 6.797 50 10 JKGE Fc1cc(Br)c(Cl)cc1[C@H](Br)c1cccc(F)c1Br 97895900 UPQDCGFFIBLZAW-GFCCVEGCSA-N 475.352 6.628 50 10 JKGE C=CCNC(=O)/C(C#N)=C1\S[C@@H](Cc2cccc(C(F)(F)F)c2)C(=O)N1c1ccc(C(C)C)cc1 101241592 APJGRUXVYDCNLF-JSIHEXFSSA-N 499.558 5.557 50 10 JKGE Fc1ccc(COc2c(Br)cccc2CBr)cc1Br 110378544 XOOLXFYVTLHJDO-UHFFFAOYSA-N 452.943 5.825 50 10 JKGE Fc1ccc(C(F)(F)F)cc1[C@H](Br)c1cc(Cl)c(Br)s1 128142312 XYYWQHKVFALSFX-JTQLQIEISA-N 452.492 6.806 50 10 JKGE Fc1c([C@@H](Cl)c2cc(Br)c(Br)s2)cccc1C(F)(F)F 128282722 RYHDNJXUQHEPNC-SECBINFHSA-N 452.492 6.759 50 10 JKGE CC(C)c1ccc(/C=C(/C#N)C(=O)Oc2ccc(/C=C(\C#N)C(=O)NCc3ccco3)cc2)cc1 206698574 WJKRRFQJVNWGSH-KZSQTELISA-N 465.509 5.139 50 10 JKGE COc1ccc([C@H](C)NC(=O)/C(C#N)=C\Nc2ccc(Cl)c(C(F)(F)F)c2)cc1OC 217172061 IXYODTNIRDNGGO-PBBNAPBQSA-N 453.848 5.073 50 10 JKGE COc1ccc([C@H](Br)c2cccc(Br)c2C)c(OC)c1Br 224856409 XCTPZWOJLQZQHQ-CQSZACIVSA-N 479.006 6.022 50 10 JKGE CCOc1ccc([C@H](Cl)c2ccc(I)cc2)cc1Br 228990667 JIMJHRCBSWEORW-OAHLLOKOSA-N 451.529 5.781 50 10 JKGE COCCOc1ccc([C@@H](Br)c2sccc2Br)cc1Br 229017025 YRINNJFMNGOHTF-CYBMUJFWSA-N 485.035 5.783 50 10 JKGE CCOc1ccc([C@H](Br)c2ccc(I)c(Cl)c2)cc1 232342705 FJKGSJHTFPMYGX-HNNXBMFYSA-N 451.529 5.828 50 10 JKGE O=[N+]([O-])c1ccc(C[C@H](Br)c2cc(Br)cc(Br)c2)cc1 232473972 XZBVEWNLWYBLHO-AWEZNQCLSA-N 463.951 5.799 50 10 JKGE COc1cc(C)c(Br)cc1[C@H](Br)c1ccc(F)c(Br)c1 234805767 DLXHJODYYKSHTM-OAHLLOKOSA-N 466.970 6.152 50 10 JKGE COc1ccc(/C=C(/NC(=O)c2ccccc2)C(=O)NN=Cc2c3ccccc3cc3ccccc23)cc1 252616291 JYQAKTUQRVXMMI-NJTCCUTBSA-N 499.570 5.923 50 10 JKGE Cc1cc(CCl)cc(S(=O)(=O)N(Cc2ccccc2)Cc2ccccc2)c1Br 309788449 BFYIJMAQQWYSOM-UHFFFAOYSA-N 478.839 5.887 50 10 JKGE BrCC(CBr)(CCC1CCCCC1)c1ccc(Br)cc1 312273447 FUNXWWFIZBBMNT-UHFFFAOYSA-N 467.083 6.837 50 10 JKGE Fc1cc(Br)cc([C@@H](Cl)c2cc(I)cc3c2OCC3)c1 379966424 HAPCOJLESAXQQL-CQSZACIVSA-N 467.503 5.456 50 10 JKGE C[C@H](Cl)c1nc2cc(I)c(F)cc2n1[C@H]1CN(Cc2ccccc2)C[C@H]1C 389868018 MSWXUYHAOBBNGS-CKNLXJGOSA-N 497.783 5.773 50 10 JKGE C[C@@H](Cl)c1nc2cc(I)c(F)cc2n1C[C@H]1CCCN1Cc1ccccc1 390610817 FBOAVLXBJOJJFE-GDBMZVCRSA-N 497.783 5.744 50 10 JKGE COc1ccc(Br)cc1[C@@H](Br)c1ccc(OCc2ccccc2)cc1 394096567 XBNJHVKHMBIZTN-NRFANRHFSA-N 462.181 6.521 50 10 JKGE C[C@@H](Cl)c1nc2cc(I)ccc2n1C1[C@H]2C[C@H]1CN(Cc1ccccc1)C2 399637382 FSTXVECHUXNLFK-PVAVHDDUSA-N 491.804 5.634 50 10 JKGE C[C@@H](Br)C[C@H]1CCCCN1Cc1cc(Cl)ccc1I 405314961 WITLSEUKANSJJC-BXUZGUMPSA-N 456.593 5.473 50 10 JKGE Clc1ccc(I)c(COc2ccc(Cl)cc2CBr)c1 405322294 ZZQGIJWBQFGMOU-UHFFFAOYSA-N 471.947 6.072 50 10 JKGE CC(C)(C)[Si](C)(C)OCc1ccc([C@@H]2COCCN(S(=O)(=O)c3ccccc3)C2)cc1 616596035 XIMIPYDNRQORDW-QFIPXVFZSA-N 461.700 5.013 50 10 JKGE C[C@H]1CCC[C@](CBr)(NC(=O)c2scc(Br)c2Br)C1 705418170 JXMIZYDSKJGYNY-SDBXPKJASA-N 474.056 5.347 50 10 JKGE Clc1cccc(COc2cccc(CBr)c2Br)c1Br 719395290 NUEUIYJAUIGNRG-UHFFFAOYSA-N 469.398 6.339 50 10 JKGE CC1(C)CC(/C=C\c2ccc(N3N=C(c4ccccc4)C[C@H]3c3ccccc3)cc2)=CC(=C(C#N)C#N)C1 1082888904 QIWADIDXDSJKMZ-AIZOVOQSSA-N 494.642 8.146 50 10 JKGE N#C/C(=C/c1cc(Br)ccc1OCc1cccc(Cl)c1)C(=O)Nc1ccccc1F 1084011889 FSEBJVSFOVZJOM-BOPFTXTBSA-N 485.740 6.366 50 10 JKGE Cc1cccc(COc2c(Cl)cc(C=NNC(=O)CC[C@@H](O)c3ccccc3)cc2Cl)c1 1084087796 WWTUVAUKWWMVGR-HSZRJFAPSA-N 471.384 5.845 50 10 JKGE COc1ccc(NC(=O)/C(C#N)=C\c2ccccc2OCc2ccc(Cl)c(Cl)c2)cc1 1084261164 CUECJMXGAOKTOE-AQTBWJFISA-N 453.325 6.127 50 10 JKGE CC(=NNC(=O)CN(c1ccc(Cl)c(Cl)c1)S(=O)(=O)c1ccccc1)c1ccc(C)cc1 1084319946 NFYHHYYSEDDCJP-UHFFFAOYSA-N 490.412 5.038 50 10 JKGE Cc1ccc(NC(=O)/C(C#N)=C/c2cc(Br)ccc2OCc2ccc3c(c2)OCO3)cc1 1084342485 HDBVVCKEVXFSKR-YBFXNURJSA-N 491.341 5.611 50 10 JKGE CCc1cc(Br)ccc1-c1ccc(/C=C(/C#N)C(=O)Nc2ccc(Cl)c(OC)c2)o1 1084424309 MIVQMBNJFOWDIQ-PTNGSMBKSA-N 485.765 6.479 50 10 JKGE Cc1ccc(-c2ccccc2)n1-c1ccc(C(=O)NN=Cc2cn(CC#N)c3ccccc23)cc1 1084442105 JGBPWTYQALSACW-UHFFFAOYSA-N 457.537 5.695 50 10 JKGE CC(C)(C)CC(C)(C)c1ccc(OCC(=O)NN=Cc2c[nH]c3ccccc23)c([N+](=O)[O-])c1 1565517639 WXZSXEKCKWXGLI-UHFFFAOYSA-N 450.539 5.319 50 10 JKGE Cc1c(C(=O)Oc2cccc3ccccc23)oc2c1C(=NNC(=O)c1ccc([N+](=O)[O-])cc1)CCC2 1772745412 YLFZBLFESREIRS-UHFFFAOYSA-N 483.480 5.339 50 10 JKGE Cc1ccc(NC(=O)c2oc3c(c2C)C(=NNC(=O)Cc2coc4cc(C)cc(C)c24)CCC3)nc1 1772752116 ZTTSKHDTQDHRPV-UHFFFAOYSA-N 484.556 5.306 50 10 JKGE COc1ccc(-c2nn(-c3ccccc3)c3c2[C@@H](c2ccc(Cl)cc2)C(C#N)=C(N)O3)cc1 1865684301 WCBYSIRNHVKYFX-QFIPXVFZSA-N 454.917 5.419 50 10 JKGE N#CC1=C(N)Oc2c(c(-c3ccccc3)nn2Cc2ccccc2F)[C@H]1c1ccc(Cl)cc1Cl 1865686123 QWJTXHVOGJPHBI-QFIPXVFZSA-N 491.353 6.262 50 10 JKGE CCN(Cc1ccccc1)c1ccc([C@H]2C(C#N)=C(N)Oc3c2c(C)nn3-c2ccccc2)cc1 1865707519 YNMHFXCSJOPYIZ-MHZLTWQESA-N 461.569 5.425 50 10 JKGE CCCc1nn(Cc2ccc(Cl)c(Cl)c2)c2c1[C@H](c1ccc(C(=O)OC)cc1)C(C#N)=C(N)O2 1865708541 AURDGBAZPGVQTB-OAQYLSRUSA-N 497.382 5.195 50 10 JKGE COc1ccccc1[C@@H]1C(C#N)=C(N)Oc2c1c(-c1ccccc1)nn2Cc1cc(C)ccc1C 1865709778 GPEGRJUDAZLNFI-RUZDIDTESA-N 462.553 5.442 50 10 JKGE COc1ccc(-c2nn(Cc3ccccc3F)c3c2[C@H](c2cccc(C)c2)C(C#N)=C(N)O3)cc1 1865711073 OZNGMMUYIUFXTL-XMMPIXPASA-N 466.516 5.273 50 10 JKGE COc1ccc(-c2nn(Cc3cccc(Cl)c3)c3c2[C@H](c2cccc(OC)c2)C(C#N)=C(N)O3)cc1 1865712373 WUACZVIMWCKKPC-XMMPIXPASA-N 498.970 5.487 50 10 JKGE CCOC(=O)c1c(-c2ccc3c(c2)CCCC3)csc1NC(=O)/C(C#N)=C/c1ccccc1 1865911670 WSXXMIPCLSMKKY-HYARGMPZSA-N 456.567 6.016 50 10 JKGE C/C(=C\c1ccccc1)C(=O)N[C@@H](CSCc1ccccc1)C(=O)Nc1ccc(SC#N)cc1 1866812907 YXMPVNQQMUKWHG-XDKREJCVSA-N 487.650 5.720 50 10 JKGE CCn1c(/C(C#N)=C/c2cccc(OC)c2OCc2c(F)cccc2Cl)nc2ccccc21 1872731278 WFFGYOABDHAELC-NBVRZTHBSA-N 461.924 6.500 50 10 JKGE CCCCCCCOc1ccc(-c2csc(/C(C#N)=C(O)/C(C#N)=C/c3ccccc3)n2)cc1 1872753330 RPXJMMMGUQCJNF-ACWMPWAISA-N 469.610 7.559 50 10 JKGE CCCCc1ccc(N2C[C@@H](/C(O)=C(\C#N)c3nc(-c4c(C)c(C)cc(C)c4C)cs3)CC2=O)cc1 1872754377 PZKXWKPULHBPKB-HTDLHJJCSA-N 499.680 7.232 50 10 JKGE COc1cc(OC)c(-c2csc(/C(C#N)=C(\O)Cc3c[nH]c4ccccc34)n2)cc1Cl 1872756703 WJRIMJKWBSJOGG-SILNSSARSA-N 451.935 5.997 50 10 JKGE C[C@H](CCBr)N(Cc1ccccc1)C(=O)c1cc(Br)ccc1Cl 1915129732 CGIHZYMBHGYDDB-CYBMUJFWSA-N 459.609 5.918 50 10 JKGE C[C@@H]1CC[C@](C)([C@H](Br)c2sc(Br)cc2Br)C1(C)C 1922885978 JBONVDPIRKTEPV-IHPUGEDLSA-N 459.085 7.172 50 10 JKGE CCOc1ccc([C@@H](Br)c2sc(Br)c(C)c2Br)cc1 1922899477 COPNZAPEMWBFOI-GFCCVEGCSA-N 469.036 6.465 50 10 JKGE Cl[C@H](c1c(Br)sc(Br)c1Br)[C@H]1Cc2ccccc2O1 1924596830 ULLRNLJYYHUVJC-KCJUWKMLSA-N 487.438 6.319 50 10 JKGE FC(F)(F)c1ccc([C@H](Br)c2c(Cl)sc(Br)c2Cl)o1 1925545269 CVFJRNBPSROQJE-LURJTMIESA-N 458.908 6.914 50 10 JKGE Fc1cc([C@H](Br)c2c(Cl)sc(Br)c2Cl)c(F)c(F)c1F 1925554077 LAOHWUBEWNPUAF-YFKPBYRVSA-N 472.910 6.858 50 10 JKGE CN[C@@H](c1c(Br)sc(Br)c1Br)C1CC(Br)C1 1991410918 MJNULYAAKPPPBV-MPKXYMLHSA-N 496.888 5.470 50 10 JKGE Cl[C@@H](c1c(Br)c(Br)cc(Br)c1Br)C1COC1 1995049284 WLQFQSZTRAWXPP-SNVBAGLBSA-N 498.234 5.663 50 10 JKGE Brc1ccc([C@@H](Br)c2ccccc2Br)c(Br)c1 2024295260 PNLNSMZBYHGVBC-ZDUSSCGKSA-N 483.823 6.458 50 10 JKGE Fc1ccc([C@@H](Br)Cc2ccccc2I)cc1Br 2027335491 FYBLIKKXBJBLTD-NSHDSACASA-N 483.944 5.872 50 10 JKGE Cc1cc(Br)c([C@@H](Br)C2(C(F)(F)F)CC2)cc1Br 2027673895 YXTGGOOYSZFKIJ-SNVBAGLBSA-N 450.918 6.299 50 10 JKGE Cc1cc2sc([C@@H](Br)c3cc(Br)c(Br)s3)cc2s1 2038895931 WNURWQUESHOUAR-NSHDSACASA-N 487.101 7.342 50 10 JKGE C[C@]1([C@H](Br)c2cc(Br)c(Br)s2)CCCC(F)(F)C1 2068383531 IOXXVYLRSVLEDC-KOLCDFICSA-N 467.011 6.925 50 10 JKGE CC(C)(C)OC(=O)NCCSSCCN[C@H]1CCN(C(=O)OC(C)(C)C)C2(CCCC2)C1 2074132624 HUAYMTXIONNYBX-SFHVURJKSA-N 489.748 5.194 50 10 JKGE Brc1cc(Br)c([C@H](Br)[C@@H]2C[C@H]2C2CCOCC2)s1 2079394585 YLXJJEOQMPOEMH-YGOYTEALSA-N 459.041 5.772 50 10 JKGE Cc1sc(Br)c([C@H](Br)c2cccc(Br)c2F)c1C 2082882690 BFSDXPJKEUXLBV-LLVKDONJSA-N 457.000 6.513 50 10 JKGE Cc1oc(Br)cc1[C@@H](Cl)c1ccc(Br)c(C)c1Br 2083331764 CJLHBXBSFVHQRM-ZDUSSCGKSA-N 457.387 6.512 50 10 JKGE Clc1cc(CBr)ccc1OCc1cccc(Br)c1Br 2092330374 IJMASNLWNDWTPA-UHFFFAOYSA-N 469.398 6.339 50 10 JKGE Fc1cccc(Cl)c1C[C@H](Br)c1c(Br)cccc1Br 2094100276 PNOVNDXPJJAMJJ-NSHDSACASA-N 471.389 6.683 50 10 JKGE C[C@@]12CN(Cc3ccccc3)C[C@H]1CN(c1c(CCl)ccc(Br)c1Cl)C2 2098114983 XKIROBNJFJYROB-UWJYYQICSA-N 454.239 5.800 50 10 JKGE CN(Cc1cccc(Br)c1Br)C1(CBr)CC(C)(C)C1 2108321537 RSFYUGIGJRYWIN-UHFFFAOYSA-N 454.044 5.597 50 10 JKGE CCCCO[C@@H]1[C@@H](Br)C[C@@H]1Oc1c(Br)cccc1Br 2118394856 PJWGWWLKSBUTLQ-SGMGOOAPSA-N 457.000 5.312 50 10 JKGE Cc1cc(F)c(Cl)cc1[C@@H](Br)c1cccc(Br)c1Br 2137051958 QHVIOMNACPZSIS-ZDUSSCGKSA-N 471.389 6.797 50 10 JKGE CO[C@@H]1CCC[C@@H]([C@H](Br)c2ccc(Br)c(C)c2Br)C1 2138855516 XJAHKGKMSFOSOR-HFAKWTLXSA-N 455.028 6.161 50 10 JKGE Cc1cc(Br)c([C@H](Br)c2cc(S(C)(=O)=O)cs2)cc1Cl 2149493414 YBZKEODGFKCSGJ-ZDUSSCGKSA-N 458.624 5.360 50 10 JKGE O=C(N[C@H]1c2ccccc2C[C@H]1Br)c1csc(Br)c1Br 2150344280 HFHGKTCZBLDJSQ-PWSUYJOCSA-N 480.019 5.064 50 10 JKGE CC1(CO[C@@](C)(CI)c2ccccc2Br)CCCCC1 2150875652 FQCCMINKCFUIPQ-KRWDZBQOSA-N 451.186 6.086 50 10 JKGE C[C@@](CI)(OC[C@H]1CCCCCO1)c1ccccc1Br 2152616878 AXLJYEMHDFZBAT-CJNGLKHVSA-N 453.158 5.075 50 10 JKGE CC[C@H]1CN(C(=O)c2ccc(CBr)cc2)[C@H](CC)CN1C(=O)OCc1ccccc1 2162916154 PXPOFMJYRDARLT-YADHBBJMSA-N 473.411 5.233 50 10 JKGE CCCN(c1cc(C)cc(Br)c1CBr)C1CCN(Cc2ccccc2)CC1 2173446657 BDJKJFCPHUSTJO-UHFFFAOYSA-N 494.315 6.533 50 10 JKGE COc1ccc(CBr)cc1S(=O)(=O)N(Cc1ccccc1)[C@H](C)C(C)(C)C 2179858757 SUECKDYMGGGYEL-MRXNPFEDSA-N 454.430 5.216 50 10 JKGE BrCC(CBr)(CC12CCC(CC1)C2)c1cccc(Br)c1 2184965982 AJQFIHNSMALBPD-UHFFFAOYSA-N 465.067 6.447 50 10 JKGE COC[C@@H]1CC[C@@H]([C@H](Br)c2c(C)c(Br)cc(C)c2Br)C1 2201076591 FXWBEYXNOFKUGW-HSMVNMDESA-N 469.055 6.327 50 10 JKGE COc1cc(F)ccc1[C@H](Br)c1cc(Br)c(Br)s1 2218601874 PHSGDZNELQKUIV-NSHDSACASA-N 458.972 5.905 50 10 JKGE BrCc1ccc(N2C[C@@H]3CCC[C@H](C2)N3Cc2ccccc2)cc1Br 2219217599 FQRJAKFQJIFOQN-BGYRXZFFSA-N 464.245 5.587 50 10 JKGE Fc1cc(Br)c(Br)cc1[C@H](Br)[C@]12CCC[C@@H]1OCC2 2225615925 BCHMIHLWTOWFLF-IHRRRGAJSA-N 456.975 5.746 50 10 JKGE Cc1cc(Br)c([C@@H](Br)CCCC(C)(F)F)c(C)c1Br 2227358884 BYZDANPXGCFTSX-JTQLQIEISA-N 462.998 7.090 50 10 JKGE Clc1cc(Cl)cc([C@@H](Br)c2c(Br)cc(Cl)c(Cl)c2Cl)c1 2232514874 XKTMQJGFGZYCQR-LLVKDONJSA-N 498.256 8.200 50 10 JKGE C[C@H](Cl)c1nc2c(F)cc(Br)cc2n1[C@@H]1CN(Cc2ccccc2)C[C@@H]1C 2232915836 ISUYLDRNZSOEMM-CKFHNAJUSA-N 450.783 5.931 50 10 JKGE COc1cc(F)ccc1[C@@H](Br)c1ccc(Br)c(C)c1Br 2233959869 VCZHAFJEXKEKCX-OAHLLOKOSA-N 466.970 6.152 50 10 JKGE Fc1cc(Br)c(Br)cc1[C@@H](Br)C1(c2ccccc2)CC1 2233974731 GZNIILWJMQSGQL-OAHLLOKOSA-N 462.982 6.519 50 10 JKGE BrC[C@@]12CCCC[C@H]1CN(Cc1cccc(Br)c1Br)C2 2239174502 LUJUPYAXWDNSCT-XJKSGUPXSA-N 466.055 5.599 50 10 JKGE Cc1sc([C@@H](Br)c2scc(Br)c2Cl)c(Br)c1C 2246464457 CMICLVJFSXMCGD-MRVPVSSYSA-N 479.484 7.089 50 10 JKGE BrC[C@H](OC1CCN(Cc2ccccc2)CC1)c1ccc(Br)cc1 2250386873 MKZWXDUGLXLBJE-FQEVSTJZSA-N 453.218 5.566 50 10 JKGE Cc1cc(Cl)c(Cl)cc1[C@H](Br)c1c(Br)cccc1Br 2264365333 SVWDKLFXSQCCCQ-AWEZNQCLSA-N 487.844 7.311 50 10 JKGE COc1ccc([C@H](Br)c2c(F)cccc2I)c(Cl)c1 2267739560 MZVWTMTZMYFBEV-AWEZNQCLSA-N 455.492 5.577 50 10 JKGE Cc1coc(C)c1[C@@H](Br)c1c(F)cc(Br)c(F)c1Br 2272733244 JANUJYSDTOSOKX-LLVKDONJSA-N 458.922 6.184 50 10 JKGE FC[C@@]12CC[C@@]([C@@H](Br)c3c(Cl)sc(Br)c3Cl)(CO1)C2 2274671926 VPIRQNDUVVNOGT-UWJYBYFXSA-N 452.998 6.162 50 10 JKGE C[C@H]1C[C@@H]([C@H](Br)Cc2cc(Br)cc(Br)c2)C[C@@H](C)O1 2277962938 NYMTWPPIQPUKIP-GOMXZESMSA-N 455.028 5.721 50 10 JKGE COc1cc(C)c(Cl)cc1[C@@H](Br)c1ccc(I)cc1 2277990370 JPRUQKHMUHJIFW-HNNXBMFYSA-N 451.529 5.746 50 10 JKGE CC(C)c1cc(Br)cc([C@@H](Br)Cc2ncccc2Br)c1 2280678204 BFSPGJVOJOYRFU-HNNXBMFYSA-N 462.023 6.409 50 10 JKGE COc1c([C@@H](Cl)c2ccc(I)cc2)cc(Br)c(C)c1C 2284583801 MMCPCBFJYMNSNY-HNNXBMFYSA-N 465.556 6.007 50 10 JKGE FC(F)[C@@H]1CCC[C@@H]1[C@H](Br)c1c(Br)cc(Cl)c(Cl)c1Cl 2285683780 UGTCWJYUHBTAKP-ZTNVNUCQSA-N 471.394 7.527 50 10 JKGE COc1ccc([C@H](Cl)c2cc(Br)c(F)cc2Cl)cc1I 2285987027 DCAMWZCLVIVOFN-AWEZNQCLSA-N 489.937 6.183 50 10 JKGE N#CC(=Cc1ccc(OCc2ccc(Cl)cc2)cc1)C(=O)Nc1cc(C(F)(F)F)ccc1Cl 2295459696 OLSUEPFENWETLO-UHFFFAOYSA-N 491.296 7.137 50 10 JKGE N#CC(=Cc1cccc(Oc2ccc(C(F)(F)F)cc2[N+](=O)[O-])c1)c1nc2ccccc2[nH]1 2296441693 CXKBXCNCIVQMQQ-UHFFFAOYSA-N 450.376 6.346 50 10 JKGE Brc1cc(OCc2ccccc2)ccc1[C@@H](Br)[C@H]1C[C@H]2CC[C@H]1C2 2299496436 NRXNFNYNFMIBER-ZFDALGJYSA-N 450.214 6.900 50 10 JKGE CC(C)(C)[C@H](CBr)CSc1cc(I)ccc1Br 2300792659 NVTFDXIOWKXKPZ-SECBINFHSA-N 492.058 6.203 50 10 JKGE Clc1ccc(CC(CBr)(CBr)C2CC2)c(I)c1 2302328127 GLRBEUMHKMZLND-UHFFFAOYSA-N 492.420 5.673 50 10 JKGE CCOc1cc(C=C(C#N)C(=O)Nc2sc3c(c2C#N)CCCC3)cc(Br)c1OC 2313630288 DMWUSXJIFYOMQB-UHFFFAOYSA-N 486.391 5.214 50 10 JKGE Cc1cccc([C@@H](Br)c2ccc(OCc3ccccc3)cc2Br)c1Cl 2314448125 FEZMSPMEUURJDJ-FQEVSTJZSA-N 480.627 7.474 50 10 JKGE CCn1cc([C@@H](Cl)c2cc(Br)ccc2OCc2ccccc2)nc1Br 2314451038 BEURSVVKXBDOAT-SFHVURJKSA-N 484.619 6.335 50 10 JKGE Cc1ccc(Br)c([C@H](Cl)c2ccc(OCc3ccccc3)cc2Br)c1 2314451481 FRJNHDMXAQGLLW-OAQYLSRUSA-N 480.627 7.427 50 10 JKGE COCCCNC(=O)C(C#N)=Cc1cn(-c2ccccc2)nc1-c1cccc(OCc2ccccc2)c1 2314478009 FDGULOIMXRPSGE-UHFFFAOYSA-N 492.579 5.178 50 10 JKGE CC1=C(C#N)C(=O)N(Cc2ccccc2)C(=O)C1=Cc1cn(-c2ccccc2)nc1-c1cc(C)ccc1C 2314610106 CQEJMYOXWUDZKB-UHFFFAOYSA-N 498.586 5.949 50 10 JKGE N#CC1=C(N)Oc2cc(OC(=O)C=Cc3ccccc3)ccc2[C@@H]1c1c(Cl)cccc1Cl 2314634338 FFNYQRWNJVPQTA-QHCPKHFHSA-N 463.320 5.830 50 10 JKGE CCCCOc1ccc(C=C(C#N)C(=O)Nc2nc(-c3cccc(Cl)c3)c(C)s2)cc1 2314754143 LTURFASBAPGMFJ-UHFFFAOYSA-N 451.979 6.497 50 10 JKGE Fc1cc([C@@H](Br)c2sc(Br)cc2Br)c(Cl)cc1Cl 2326685730 POTKUPKOVKEQHZ-SNVBAGLBSA-N 497.836 7.203 50 10 JKGE Cc1ccc(C(=CC(=O)N[C@@H](C(=O)Nc2ccc(SC#N)cc2)c2ccccc2)C2CC2)cc1C 2329603132 BVZRUGOKRKYANR-MUUNZHRXSA-N 481.621 6.166 50 10 JKGE CC[C@H](C)N1C(=O)c2ccc(C(O)=C(C#N)c3nc(-c4ccc5ccccc5c4)cs3)cc2C1=O 2331237979 ZGJAKUYYYZVIOY-INIZCTEOSA-N 479.561 6.308 50 10 JKGE C[C@@H](Oc1ccc(Cl)cc1Br)C(O)=C(C#N)c1nc(-c2ccccc2Cl)cs1 2331266780 HODVRPNYVGKTIC-LLVKDONJSA-N 496.213 7.140 50 10 JKGE N#CC(=C(O)CCCOc1ccccc1Cl)c1nc(-c2ccc3c(c2)OCCO3)cs1 2331331189 YSEQARAYBPQAOP-UHFFFAOYSA-N 454.935 5.887 50 10 JKGE CC(=O)Nc1cccc(C(O)=C(C#N)c2nc(-c3ccc(Oc4ccccc4)cc3)cs2)c1 2331358909 CVLKVUYSLSXIQC-UHFFFAOYSA-N 453.523 6.511 50 10 JKGE N#CC(=C(O)c1ccc(Cl)cc1[N+](=O)[O-])c1nc(-c2ccc(Oc3ccccc3)cc2)cs1 2331360104 BLHGVIBTCQTLMC-UHFFFAOYSA-N 475.913 7.114 50 10 JKGE CCOc1ccc(-c2csc(C(C#N)=C(O)Cc3ccc(OC)c(OC)c3)n2)c(OCC)c1 2331387041 SEGYCKHABAMDSD-UHFFFAOYSA-N 466.559 5.660 50 10 JKGE COc1cc(Cl)c(C)cc1-c1csc(C(C#N)=C(O)COc2cc(Cl)ccc2Cl)n1 2331390661 ZVWDXJXAKMYLNG-UHFFFAOYSA-N 481.788 6.959 50 10 JKGE COc1c(Cl)cc(-c2csc(C(C#N)=C(O)[C@@H]3CC(=O)N(C(C)(C)C)C3)n2)cc1Cl 2331397478 HKUXRRRCTFWNEE-GFCCVEGCSA-N 466.390 5.565 50 10 JKGE CS(=O)(=O)Nc1ccc(C(O)=C(C#N)c2nc(-c3cc(Cl)ccc3Cl)cs2)cc1 2331403916 MGTPXYTYJPDSEJ-UHFFFAOYSA-N 466.371 5.438 50 10 JKGE N#CC(=C(O)CCCOc1ccc(Cl)cc1)c1nc(-c2cc(Cl)ccc2Cl)cs1 2331404516 NLIGMHLQQFFDSR-UHFFFAOYSA-N 465.789 7.422 50 10 JKGE CCN(Cc1ccccc1)c1ccc(C=C(C#N)c2nc(-c3ccc(Cl)c(Cl)c3)cs2)cc1 2331443861 GIWIWADMRCHCBF-UHFFFAOYSA-N 490.459 8.208 50 10 JKGE Cc1cc(-c2csc(C(C#N)=Cc3ccc(OCc4ccccc4Cl)cc3)n2)ccc1F 2331449105 MGJHWCFYVLUWTE-UHFFFAOYSA-N 460.961 7.554 50 10 JKGE Cc1ccc([C@@H](C)[C@@H](Br)c2ccc(OCc3ccccc3)cc2Br)cc1 2336044635 PNAOMEYQICLHCC-UZUQRXQVSA-N 474.236 7.576 50 10 JKGE FC1(F)C[C@@H]([C@H](Br)c2cc(Br)ccc2OCc2ccccc2)C12CCC2 2336052775 DDRSNDQCGABGBL-PKOBYXMFSA-N 486.194 7.290 50 10 JKGE FC1(F)CC[C@@H](Br)[C@@H](Cc2ccc(Cl)c(I)c2)CC1 2337273669 VSOZIVIXIJMOLG-GHMZBOCLSA-N 463.531 6.076 50 10 JKGE Cc1cc(Br)c(C)c([C@@H](Cl)c2csc(C)c2Br)c1Br 2343564354 XOLIINKESGKMCE-AWEZNQCLSA-N 487.482 7.289 50 10 JKGE CCc1cc(Br)c(OC)c([C@@H](Br)c2ccsc2Br)c1 2353039355 GCTQOHAPXLSKHV-LBPRGKRZSA-N 469.036 6.328 50 10 JKGE CCc1ccc(CC)c([C@@H](Br)c2c(Br)c(Br)nn2C)c1 2364063469 JFIFUIIJOOFVLL-GFCCVEGCSA-N 465.027 5.554 50 10 JKGE Cc1cc(Br)c(F)c(Br)c1[C@@H](Br)CCOCC(F)(F)F 2365185281 IPNBMXGJGWIFOR-ZETCQYMHSA-N 486.923 6.064 50 10 JKGE Cc1cc(Br)c(F)c(Br)c1[C@H](Cl)c1cc2cscc2s1 2365191892 SEWXXGBACHLFSX-CYBMUJFWSA-N 454.611 7.264 50 10 JKGE Cl[C@H]1c2ccccc2CC[C@H]1Cc1ccc(I)c(Br)c1 2377258824 XRRWIHITWHEMSF-SUMWQHHRSA-N 461.568 6.139 50 10 JKGE CC1CCC([C@@H](CBr)NC(=O)c2scc(Br)c2Br)CC1 2379729008 FWXUXAWADDOSRN-NWGYLPEXSA-N 488.083 5.593 50 10 JKGE CC(C)(C)OC(=O)Nc1ccc([S@@](C)(=O)=NC[C@](C)(CBr)C(C)(C)C)cc1 2380199932 PZCWYUKTVLDOCD-CCLHPLFOSA-N 461.466 5.938 50 10 JKGE Cc1cc(Br)c(CCl)c(OCc2cc(I)ccc2Cl)c1 2380346547 OWGFMHBYERPNJI-UHFFFAOYSA-N 485.974 6.333 50 10 JKGE O=C(CNc1cccc2ccccc12)N/N=C/c1ccccc1OCc1cccc(Br)c1 1947139 SLCYXXZBRSTNRZ-MUFRIFMGSA-N 488.385 5.744 50 10 JKGE O=C(NC1CCCCC1)[C@H](c1ccc(Cl)cc1)N(Cc1ccccc1Cl)C(=O)CCl 3035242 WCAPSOSEKMOVFC-QFIPXVFZSA-N 467.824 5.751 50 10 JKGE Cc1ccc(C)c(NC(=O)C(C#N)=C(SCc2ccccc2C)SCc2ccccc2C)c1 3059103 MAPLFRFPMSUTMW-UHFFFAOYSA-N 472.679 7.461 50 10 JKGE CCn1nc(-c2ccccc2)c(-c2ccccc2)c(C(=O)Nc2ccc(SC#N)cc2)c1=O 9004799 YADNPQPEDWGCRW-UHFFFAOYSA-N 452.539 5.423 50 10 JKGE COc1ccc(/C=N/NC(=O)CCCNc2ccc(Cl)cc2)cc1CN1CCCc2ccccc21 20258491 AVGTVRHVULCSBA-ZCTHSVRISA-N 491.035 5.644 50 10 JKGE Cc1cccc(COc2ccc3ccccc3c2/C=N/NC(=O)CSc2nc3ccccc3s2)c1 32520773 OAFDPEOCQPQHAH-MUFRIFMGSA-N 497.645 6.579 50 10 JKGE CCCCCCOc1ccc(C(=O)NNC(=S)NC(=O)/C=C\c2cccc3ccccc23)cc1 33566149 REAXNXUDQYLGLZ-SDXDJHTJSA-N 475.614 5.148 50 10 JKGE CCCCOc1cccc(-c2nn(-c3ccccc3)cc2/C=C(/C#N)S(=O)(=O)c2ccc(C)cc2)c1 35446847 HBWUVVNGBMVHRC-USHMODERSA-N 497.620 6.365 50 10 JKGE Cc1cc(C)cc(N2C(=O)CS[C@@H]2c2cccc(NC(=O)[C@H](Cl)c3ccccc3)c2)c1 35928685 JFSGLXZGONNOOT-ILBGXUMGSA-N 450.991 6.001 50 10 JKGE CCOc1ccccc1C(=O)Oc1ccc2c(c1)OC(N)=C(C#N)[C@H]2c1c(F)cccc1Cl 38680675 FHMWBYRBZJNZAY-QFIPXVFZSA-N 464.880 5.315 50 10 JKGE CCCCCOc1ccccc1[C@@H]1C(C#N)=C(N)Oc2cc(OC(=O)COc3ccccc3C)ccc21 38686052 YCEXNUYUSVNCKG-LJAQVGFWSA-N 498.579 5.767 50 10 JKGE CCOc1cc(/C=C2/C(=O)N(C3CCCC3)C(=O)C(C#N)=C2C)ccc1OCc1ccccc1F 40514588 JTSLCZKFMVNJFY-HYARGMPZSA-N 474.532 5.338 50 10 JKGE Cc1ccc2cccc(OC(=O)c3oc4c(c3C)/C(=N/NC(=O)c3ccccc3)CCC4)c2n1 40804296 LNNNWSPGUDGJOS-ZTKZIYFRSA-N 453.498 5.134 50 10 JKGE Cc1c(C(=O)NCCC(C)C)oc2c1/C(=N/NC(=O)c1ccc(Cl)cc1Cl)CCC2 40813754 ONNSTXWXSGNCNC-YZSQISJMSA-N 450.366 5.141 50 10 JKGE Cc1c(C(=O)Nc2ccc(Cl)c(Cl)c2)oc2c1/C(=N/NC(=O)c1ccccn1)CCC2 40814276 QQNAYZWTKMIGBO-JVWAILMASA-N 457.317 5.013 50 10 JKGE COc1cc(/C=N/NC(=O)COc2ccc(C(C)C)cc2)ccc1OCc1ccccc1Cl 40846838 WSGFTDPFMIPPOM-RWPZCVJISA-N 466.965 5.580 50 10 JKGE COc1cc(/C=C(\C#N)C(=O)NCc2ccccc2)ccc1OC(=O)c1ccc(C(C)(C)C)cc1 40869954 GDIHSQIYDPWIAW-XQNSMLJCSA-N 468.553 5.435 50 10 JKGE CCOc1ccc([C@@H](O)CCC(=O)N/N=C/c2cc(C)n(-c3ccc(Cl)cc3)c2C)cc1 58892724 HZOLXBSTCFBEBQ-RLWVUDJFSA-N 453.970 5.110 50 10 JKGE COc1cc(/C=C(\C#N)C(=O)Nc2ccccc2C)cc(Br)c1OCc1ccc(C)cc1 59474971 KEMFEAOYEZJRNF-CIAFOILYSA-N 491.385 6.199 50 10 JKGE O=C(N/N=C/c1cc(Br)ccc1OCc1ccc(Cl)cc1)c1cc2ccccc2o1 59680220 PFPDJSPALQTYQS-LGJNPRDNSA-N 483.749 6.192 50 10 JKGE Cc1ccc(C)c(OCCCC(C)(C)C(=O)NNC(=O)COc2ccc(-c3ccccc3)cc2)c1 66201455 PMNQNMAFBLODSY-UHFFFAOYSA-N 474.601 5.382 50 10 JKGE Fc1cc([C@@H](Br)Cc2cccc(Br)c2)c(F)cc1Br 70474547 WTZCYEWGHUEGQH-NSHDSACASA-N 454.934 6.169 50 10 JKGE CC(C)(C)c1ccc(Oc2ccc(/C=C(/C#N)C(=O)NCc3ccc(Cl)cc3)cc2[N+](=O)[O-])cc1 95949606 ABYCQIMZVNDYJG-ZHZULCJRSA-N 489.959 6.561 50 10 JKGE CCCCN(C(=O)CCl)[C@@H](C(=O)NC1CCC(C)CC1)c1ccc(OCCC)c(OC)c1 97914716 XKBHJSXXKZNAPT-SCPLRKQGSA-N 467.050 5.088 50 10 JKGE Cc1c(Cl)cccc1N/C=C(\C#N)c1nc(-c2cc3cc(Br)ccc3oc2=O)cs1 100108551 DTZLATYQORUPLH-GXDHUFHOSA-N 498.789 6.617 50 10 JKGE COc1cc(Cl)ccc1[C@@H](Br)c1cc(Br)sc1Br 109869860 QEPWPFPZYYWYDS-LLVKDONJSA-N 475.427 6.419 50 10 JKGE Fc1cc(Br)cc(C[C@H](CBr)Cc2cccc(Br)c2)c1 125106134 JGDQHBPTJXPQDY-CYBMUJFWSA-N 464.998 6.147 50 10 JKGE COc1cc(Br)c([C@H](Br)c2ccc(Br)c(Cl)c2)cc1OC 129167997 VPRREYAGEPPAMS-OAHLLOKOSA-N 499.424 6.367 50 10 JKGE COc1c(C)cc(Br)c(C)c1[C@H](Br)c1c(F)cccc1Br 161227845 MQXZVQPYLYFHIH-HNNXBMFYSA-N 480.997 6.460 50 10 JKGE CSc1ccc(Cl)cc1CC(=O)N/N=C\c1ccc(OCc2ccccc2)c(Cl)c1 169922777 QRTPILRHKPHHJD-WGARJPEWSA-N 459.398 5.987 50 10 JKGE Cc1cc([C@H](Cl)c2cc(Br)ccc2I)c(Cl)cc1F 235879240 VLYSDYCWYYXEBM-AWEZNQCLSA-N 473.938 6.483 50 10 JKGE O=C(NN=Cc1c2ccccc2cc2ccccc12)c1ccc(NS(=O)(=O)c2ccccc2)cc1 254378649 WOSZPUUNSQKEEN-UHFFFAOYSA-N 479.561 5.558 50 10 JKGE C[C@H]1CCCCC1=NNC(=O)c1cccc(S(=O)(=O)Nc2cc(Cl)ccc2Cl)c1 254500874 MNZVSYXEQIYLCV-ZDUSSCGKSA-N 454.379 5.090 50 10 JKGE Cc1ccccc1C(=O)Oc1ccc(C=NNC(=O)c2ccc(OCc3ccccc3)cc2)cc1 254521731 MYWXHPCZJOEFDI-UHFFFAOYSA-N 464.521 5.557 50 10 JKGE CCc1ccc(C=NNC(=O)CSc2nnc(-c3ccc(C)cc3)n2-c2ccc(OC)cc2)cc1 254622447 LQTJVLWYANAXQF-UHFFFAOYSA-N 485.613 5.056 50 10 JKGE O=C(Oc1ccc(C=NNC(=O)c2ccccc2F)c(OC(=O)c2ccccc2)c1)c1ccccc1 254759836 SSQCUYDWIVTZMV-UHFFFAOYSA-N 482.467 5.028 50 10 JKGE C[C@H](CCn1c(CCCl)nc2cc(I)c(F)cc21)N(C)Cc1ccccc1 379610061 OTFLBQNIIKDMTC-OAHLLOKOSA-N 499.799 5.472 50 10 JKGE Cc1cc(C)c([C@@H](Cl)c2cnn(C)c2I)c(C)c1Br 381948617 VYCDIXLPIIDNCW-ZDUSSCGKSA-N 453.549 5.041 50 10 JKGE Cc1cccc([C@@H](Br)c2scc(C(F)(F)F)c2Br)c1Br 383550376 GZFQBYQDHJLPDX-SNVBAGLBSA-N 492.980 7.085 50 10 JKGE C[C@@H](COCc1ccccc1)Cn1c(CCCl)nc2cc(I)ccc21 390406871 BTZXTMTZTSTVQH-OAHLLOKOSA-N 468.766 5.275 50 10 JKGE Cc1cc([C@@H](Br)c2c(Br)cc(F)c(F)c2F)ccc1Br 398743023 RTTAXIBMFLOYIM-GFCCVEGCSA-N 472.924 6.422 50 10 JKGE C[C@H](Cl)c1nc2cc(Br)c(F)cc2n1[C@]1(C)CCN(Cc2ccccc2)C1 405962361 PJBLLRTZVCOWKA-LHSJRXKWSA-N 450.783 5.859 50 10 JKGE CC(C)(C)OC(=O)N1C[C@H](c2cccc(CO[Si](C)(C)C(C)(C)C)c2)Nc2ccccc21 616681607 ZSRMCFZZJKIRIM-JOCHJYFZSA-N 454.687 7.117 50 10 JKGE CC[C@@H](C[C@H](Br)c1cc(Br)c(C)cc1Br)C(C)(C)C 711129309 FSKHUUHRIFSFMB-NHYWBVRUSA-N 455.072 7.418 50 10 JKGE Cl[C@@H](c1ccc(I)c(Br)c1)c1csc2ccccc12 721600497 BSKKXMFIPIWZOF-HNNXBMFYSA-N 463.565 6.597 50 10 JKGE Fc1cc(F)c([C@@H](Cl)c2ccc(I)c(Br)c2)c(F)c1 721601894 INKMORSUCDYCLB-ZDUSSCGKSA-N 461.446 5.799 50 10 JKGE C=CCc1cc(C=NNC(=O)CC[C@H](O)c2ccccc2)cc(OC)c1OCc1ccccc1Cl 725422320 NNBIARLLGKDEPE-VWLOTQADSA-N 493.003 5.620 50 10 JKGE CCOc1ccc([C@@H](O)CCC(=O)NN=Cc2cc(C)n(-c3ccccc3Cl)c2C)cc1 1084002730 PACPCNNYFZHLKG-DEOSSOPVSA-N 453.970 5.110 50 10 JKGE COc1cc(/C=C(\C#N)C(=O)Nc2ccccc2Cl)ccc1OCc1ccc(Cl)cc1Cl 1084058427 FOEWBPSLPJNDBU-LICLKQGHSA-N 487.770 6.780 50 10 JKGE CCOc1cc(C=NNC(=O)c2cccc(Br)c2)ccc1OCc1ccc(F)cc1 1084301734 KEWCBJRCQDKDBP-UHFFFAOYSA-N 471.326 5.330 50 10 JKGE CCOc1ccc([C@H](O)CCC(=O)NN=Cc2cc(C)n(-c3ccc4ccccc4c3)c2C)cc1 1084529793 VKPIUZXNDRURQQ-MUUNZHRXSA-N 469.585 5.610 50 10 JKGE O=C(CSc1nc2ccccc2s1)NN=Cc1ccc(-c2cc(C(F)(F)F)ccc2Cl)o1 1772724186 JHNNEXWQSNQVSQ-UHFFFAOYSA-N 495.935 6.471 50 10 JKGE Cc1c(C(=O)Oc2ccc(Cl)cc2Cl)oc2c1C(=NNC(=O)c1ccccc1Cl)CCC2 1772744106 QCJIOQAHQBULDH-UHFFFAOYSA-N 491.758 6.238 50 10 JKGE O=C(CCCC[C@H]1CCSS1)N1CCN([C@@H](c2ccccc2)c2ccc(Cl)cc2)CC1 1860191783 DETRTPULHUPDNZ-ZCYQVOJMSA-N 475.123 6.288 50 10 JKGE Cc1ccc(Cn2nc(-c3ccccc3)c3c2OC(N)=C(C#N)[C@H]3c2c(F)cccc2Cl)cc1 1865682315 LUAYKCAJIBLAFF-QFIPXVFZSA-N 470.935 5.918 50 10 JKGE CCCc1nn(-c2ccc(C)cc2)c2c1[C@@H](c1ccc(OCc3ccccc3)cc1)C(C#N)=C(N)O2 1865690591 WKULRRTWHUIFBS-MHZLTWQESA-N 476.580 5.930 50 10 JKGE CCCOc1ccc([C@H]2C(C#N)=C(N)Oc3c2c(CC)nn3Cc2cccc(Cl)c2)cc1OCC 1865690864 CXGCMKFSYQIFIV-DEOSSOPVSA-N 493.007 5.553 50 10 JKGE CCCOc1c(OC)cccc1[C@H]1C(C#N)=C(N)Oc2c1c(CCC)nn2Cc1cc(C)ccc1C 1865694431 YESGJTYIYCUMDQ-VWLOTQADSA-N 486.616 5.516 50 10 JKGE CCc1ccc([C@@H]2C(C#N)=C(N)Oc3c2c(-c2ccc(OC)cc2)nn3-c2ccc(C)cc2)cc1 1865708876 ICEGSYVFDUCCHV-RUZDIDTESA-N 462.553 5.637 50 10 JKGE COc1ccccc1[C@H]1C(C#N)=C(N)Oc2c1c(-c1ccccc1)nn2-c1ccccc1Cl 1865709867 IVWGAELWTLPYAR-QFIPXVFZSA-N 454.917 5.419 50 10 JKGE Cc1ccc(-c2ccc(C(=O)NNC(=O)CCCOc3ccc(Cl)cc3Cl)c(C)n2)cc1C 1865756339 SRAPSGZJEFLMAT-UHFFFAOYSA-N 486.399 5.601 50 10 JKGE CCC[C@H](NC(=O)C[C@H](c1ccc(C(C)C)cc1)C(C)C)C(=O)Nc1ccc(SC#N)cc1 1866738200 FCXNJVAMWILGLH-DQEYMECFSA-N 465.663 6.436 50 10 JKGE CSCC[C@@H](NC(=O)[C@@H](C)c1ccc(Br)cc1)C(=O)Nc1ccc(SC#N)cc1 1866944664 SLPGHBIEFYBHRZ-IFXJQAMLSA-N 492.464 5.002 50 10 JKGE COc1ccc2c(c1)CCN(c1cc(Nc3ccc(SC#N)cc3)nc(C(C)(C)C)n1)[C@@H]2C 1868342768 ZGCJSIIXBRUXEG-QGZVFWFLSA-N 459.619 6.223 50 10 JKGE Cn1c(/C(C#N)=C/c2ccc(-n3nc(-c4ccccc4)cc3-c3ccccc3)cc2)nc2ccccc21 1872727030 ZUNUJDKMCWRFIR-LHLOQNFPSA-N 477.571 7.157 50 10 JKGE COc1cc(/C=C(\C#N)c2ncccc2[N+](=O)[O-])ccc1OCc1ccc(Cl)c(Cl)c1 1872728958 DIWDUGRUDYQJOG-CXUHLZMHSA-N 456.285 5.948 50 10 JKGE CC(C)(C)c1ccc(/C=C/C(O)=C(\C#N)c2nc(-c3ccc(Br)cc3)cs2)cc1 1872746429 HLQHKXCUCKQGAK-FJXJUKIKSA-N 465.416 7.376 50 10 JKGE COc1ccccc1-c1csc(/C(C#N)=C(\O)CNC(=O)c2ccc(Cl)cc2Cl)n1 1872747052 LRPREDXLDSFWGZ-SDXDJHTJSA-N 460.342 5.348 50 10 JKGE COc1c(C)cc(Cl)cc1-c1csc(/C(C#N)=C(\O)CCCN2C(=O)c3ccccc3C2=O)n1 1872757234 VZKHKVOUOHEWIL-VZCXRCSSSA-N 493.972 5.650 50 10 JKGE COc1ccc(-c2csc(/C(C#N)=C(\O)c3cc4ccccc4oc3=O)n2)c2ccccc12 1872758573 HBTKKTHNIKKIMJ-GFMRDNFCSA-N 452.491 6.028 50 10 JKGE COc1cc(/C=C(\C#N)c2nc(-c3ccc([N+](=O)[O-])cc3)cs2)ccc1OC(=O)c1ccccc1 1872784512 QRGDBOGRAUHBCR-DEDYPNTBSA-N 483.505 6.010 50 10 JKGE Cc1ccc(C)c(-c2csc(/C(C#N)=C/c3c(OCc4ccccc4)ccc4ccccc34)n2)c1 1872790941 MYLSLHCMLDVOGL-KOEQRZSOSA-N 472.613 8.223 50 10 JKGE COC(=O)c1c(NC(=O)[C@H](C)Oc2ccc(Cl)cc2Cl)sc(/C(C)=C/C#N)c1C 1873427989 GXSPOZJUWBEIDU-PMDBQALLSA-N 453.347 5.483 50 10 JKGE Cl[C@H](c1c(Br)sc(Br)c1Br)[C@@H]1C[C@@H]2C[C@@H]2CO1 1908039321 NOJHHECQNOAMJC-LHKPINMVSA-N 465.432 5.741 50 10 JKGE C[C@@H](Br)CN(Cc1ccccc1)C(=O)c1cc(Br)cc(Br)c1 1914612915 NIVIVXNYLPAOFU-GFCCVEGCSA-N 490.033 5.637 50 10 JKGE CC(C)[C@@H](CCl)N(Cc1ccccc1)C(=O)Cc1ccccc1I 1915257023 HBQSQFIAOQWPOB-LJQANCHMSA-N 455.767 5.126 50 10 JKGE CC1(C)[C@H]2C[C@H]([C@@H](Br)c3c(Br)sc(Br)c3Cl)C[C@H]21 1923068616 UNXBZUZVSACWIE-JAGXHNFQSA-N 477.487 7.045 50 10 JKGE CC[C@H](C)C[C@H](Br)c1c(Br)sc(Br)c1Br 1924576169 KPXHZPTVPZWEDT-WDSKDSINSA-N 483.889 6.908 50 10 JKGE COc1cccc(F)c1[C@@H](Cl)c1c(Br)sc(Br)c1Br 1924596414 ODRBXBNDHDOKHS-SNVBAGLBSA-N 493.417 6.512 50 10 JKGE C[C@@H]1CO[C@H]([C@H](Cl)c2c(Br)sc(Br)c2Br)C1 1924612344 AUHMIMPCBJKGHT-YQJDLUKNSA-N 453.421 5.741 50 10 JKGE Cl[C@H](c1c(Br)sc(Br)c1Br)[C@@H]1CCCOCC1 1924615891 IALHIQXQZPVSOO-MUWHJKNJSA-N 467.448 6.132 50 10 JKGE FC1(F)[C@@H]([C@@H](Br)c2cc(Br)c(Br)s2)C12CCC2 1944839663 LYHNVCDAHNABIT-YUMQZZPRSA-N 450.968 6.145 50 10 JKGE C[C@H](CBr)N(Cc1ccccc1)Cc1cc(Br)ccc1Br 1957337814 ZSNSLFOTZICSCM-CYBMUJFWSA-N 476.050 5.997 50 10 JKGE Fc1ccc(I)cc1[C@@H](Cl)c1sc(Cl)cc1Br 2003650869 ZXCXTROQUSZCBW-SNVBAGLBSA-N 465.940 6.236 50 10 JKGE ClCc1nc2cc(I)ccc2n1C1(CCOCc2ccccc2)CC1 2029845271 SZKSOUNUCSTDRE-UHFFFAOYSA-N 466.750 5.476 50 10 JKGE CCc1sc(Br)cc1[C@@H](Cl)c1cc(Br)ccc1Br 2030219843 KDAKIYBKCZXMMD-ZDUSSCGKSA-N 473.455 6.926 50 10 JKGE CS(=O)(=O)c1csc([C@H](Br)c2cc(Br)sc2Br)c1 2032179129 PSJXAWYLVDQCSN-SECBINFHSA-N 495.077 5.222 50 10 JKGE Cc1cc(Br)c(CBr)c(N2CCN(Cc3ccccc3)CC[C@@H]2C)c1 2053220358 YLMXPCNFPVXQGC-KRWDZBQOSA-N 466.261 5.753 50 10 JKGE FC(F)(C1CCOCC1)[C@H](Br)c1cc(Br)sc1Br 2065618205 IQCALCJTJLKSIU-SECBINFHSA-N 468.983 5.771 50 10 JKGE O=C(c1cc(Br)sc1Br)N1CC[C@@H]2C[C@H](Br)CC[C@@H]21 2087662882 FZZVCCVMRUZKBL-MRTMQBJTSA-N 472.040 5.051 50 10 JKGE O=C(c1scc(Br)c1Br)N1CC[C@@H]2C[C@H](Br)CC[C@H]21 2087668654 PRCBKNXDZBEIDA-NQMVMOMDSA-N 472.040 5.051 50 10 JKGE CC(C)(CO[C@@H](CI)c1ccc(Br)cc1)C(F)(F)F 2094246386 JXLISBOJEKGRSN-NSHDSACASA-N 451.064 5.530 50 10 JKGE Fc1cc(Cl)c(Br)cc1[C@@H](Br)c1ccc(Br)cc1Cl 2097833996 HRUFSYJPCGEUEO-ZDUSSCGKSA-N 491.807 7.142 50 10 JKGE Fc1ccc(I)cc1[C@@H](Br)Cc1ccc(Cl)c(Cl)c1 2113352769 FFPPNHHJAPVQPO-NSHDSACASA-N 473.938 6.416 50 10 JKGE Clc1ccc([C@H](Br)CCc2c(Br)cccc2Br)cc1 2113492538 BTVYEUNEPGNFRK-CYBMUJFWSA-N 467.426 6.934 50 10 JKGE C[C@@H]1CN(C(=O)c2cc(Br)c(Br)s2)CC[C@H]1CCBr 2115841035 CTPFELDMLFYVQB-RKDXNWHRSA-N 474.056 5.156 50 10 JKGE Cc1cccc([C@H](Cl)c2ccc(Br)c(C)c2Br)c1Br 2138866531 UPTNRNSUSXXKHU-HNNXBMFYSA-N 467.426 6.919 50 10 JKGE Cc1cc([C@H](Br)Cc2c(F)cccc2Cl)ccc1I 2142105677 IKDCTYMDYJEGTL-GFCCVEGCSA-N 453.520 6.071 50 10 JKGE Cc1cc([C@H](Cl)c2ccc(F)c(Br)c2F)ccc1I 2142116795 KOZBEWQMOKAJPX-ZDUSSCGKSA-N 457.483 5.969 50 10 JKGE COc1cc(F)c(Cl)cc1[C@H](Br)c1cc(Br)c(Br)s1 2142389975 ZIFOYGVPYXUSAG-NSHDSACASA-N 493.417 6.559 50 10 JKGE ClCc1nc2cc(I)ccc2n1[C@@H]1C[C@@H]2C[C@H](C1)CN2Cc1ccccc1 2144553627 YRQUZHIPNXWIQK-NEWSRXKRSA-N 491.804 5.605 50 10 JKGE O=[N+]([O-])c1sc(CBr)cc1N1CCC[C@H]1[C@H]1CCN(Cc2ccccc2)C1 2145257554 WJYGXDUUAVPSBQ-WMZOPIPTSA-N 450.402 5.042 50 10 JKGE O=C1COc2ccc([C@@H](Br)c3csc(Br)c3Br)cc2N1 2150342519 WVRZQZFJVMWVIX-LLVKDONJSA-N 481.991 5.088 50 10 JKGE ClCc1nc2cc(Br)c(Cl)cc2n1[C@H]1CCOC[C@@H]1OCc1ccccc1 2159868107 ZUHGYWRQPJEGAC-HKUYNNGSSA-N 470.194 5.738 50 10 JKGE COc1ccc([C@@H](Br)c2cc(Cl)c(C)c(Br)c2)c(Br)c1 2167396868 UAICWBSDMAFYRR-HNNXBMFYSA-N 483.425 6.666 50 10 JKGE BrCc1cc(Br)cc(Br)c1OC[C@@H]1CCCC2(CC2)C1 2168927185 BGWPZXDSIXCFSV-LLVKDONJSA-N 467.039 6.456 50 10 JKGE CN(c1cc(Br)cc(F)c1CBr)[C@@H]1C[C@@H]2CC[C@H](C1)N2Cc1ccccc1 2170690110 ANMDZTREZOTTSP-BWTSREIZSA-N 496.262 6.115 50 10 JKGE FC(F)Oc1cccc([C@@H](Br)c2ccc(Br)cc2Br)c1 2203689352 YAYQGWZFVGYPFE-CYBMUJFWSA-N 470.933 6.297 50 10 JKGE Cc1c(Br)ccc([C@H](Br)c2ccccc2C2CC2)c1Br 2203706840 SPBYUSCINMPZNG-QGZVFWFLSA-N 459.019 6.882 50 10 JKGE Fc1ccc(CO[C@H](CI)c2ccc(Cl)cc2)c(Br)c1 2206263608 BCIXLMSELHREMW-OAHLLOKOSA-N 469.519 5.935 50 10 JKGE Cc1cc2nc([C@@H](C)Cl)n(CC3(N(Cc4ccccc4)Cc4ccccc4)COC3)c2cc1Cl 2206560743 UHTJSVCLXUQSRA-OAQYLSRUSA-N 494.466 6.769 50 10 JKGE Brc1cc([C@H](Br)[C@@H]2OC[C@H]3CCCC[C@H]32)sc1Br 2218097365 FHXHRQOKKAOMPT-VZJNWSLWSA-N 459.041 5.914 50 10 JKGE Fc1cc(Br)c(Br)cc1[C@H](Cl)c1cc(Br)c(Cl)s1 2218596283 DMXQAXJTQXJSIS-JTQLQIEISA-N 497.836 7.156 50 10 JKGE CCc1nn(C)c([C@@H](Br)c2cc(Br)sc2Br)c1Cl 2224018376 LKDRLCCJYAJHGH-QMMMGPOBSA-N 477.447 5.707 50 10 JKGE Fc1cc(Br)c(Br)cc1[C@H](Br)c1cc(Cl)ccc1Cl 2225633862 LWQKHGPLPJUVDI-CYBMUJFWSA-N 491.807 7.142 50 10 JKGE CCCC1([C@@H](Br)c2c(Br)cc(C)c(Br)c2C)CCC1 2227356082 PHXQDUFAFVAJNJ-HNNXBMFYSA-N 453.056 7.235 50 10 JKGE FC(F)(F)C1CC([C@H](Br)c2c(Br)cc(Cl)c(Cl)c2Cl)C1 2232528237 RIVKSSFZONSWDX-UDSLYJHRSA-N 475.357 7.434 50 10 JKGE C[C@H](Cl)c1nc2cc(Br)c(Br)cc2n1C[C@H]1C[C@H](Br)C1 2234066152 LSWXJCKLSMISHL-CIUDSAMLSA-N 485.445 6.035 50 10 JKGE CO[C@@H]1CCC[C@@H]([C@@H](Br)c2c(Br)cc(C)c(Br)c2C)C1 2235608885 MBKSIDLSGODSIM-XHBSWPGZSA-N 469.055 6.470 50 10 JKGE CCn1cc(Br)c([C@H](Cl)c2c(Br)cc(C)c(Br)c2C)n1 2235610864 SVZYKWJKSTXIAW-CYBMUJFWSA-N 485.445 6.136 50 10 JKGE Clc1cc(CN2C[C@H]3CCCC[C@]3(CBr)C2)ccc1I 2239170845 DGEJRDYNUYOGFD-CJNGLKHVSA-N 468.604 5.332 50 10 JKGE Fc1cccc(I)c1[C@H](Cl)c1c(Cl)sc(Cl)c1Cl 2255964308 PIOHLYXEVVDDDS-QMMMGPOBSA-N 455.934 6.780 50 10 JKGE CCc1cc([C@H](Br)c2cccc(C)c2Br)sc1Br 2255989331 ROVHJZULBVVJGI-CYBMUJFWSA-N 453.037 6.628 50 10 JKGE Cc1cc([C@@H](Br)c2cc(Br)c(F)cc2Cl)sc1Br 2258101734 DCWMUQVOYXCRRI-NSHDSACASA-N 477.418 6.858 50 10 JKGE Cc1sc(Br)cc1[C@@H](Br)c1cc(Br)c(F)cc1Cl 2258114953 TUNXJEGONAZZFY-GFCCVEGCSA-N 477.418 6.858 50 10 JKGE CC1([C@@H](Br)c2c(Cl)sc(Br)c2Cl)CC(C(F)(F)F)C1 2264517090 HGVAXMKFNBXYFH-JGPKUNILSA-N 460.968 7.232 50 10 JKGE C=CC[C@]1(CBr)CCCN1Cc1cc(Cl)ccc1I 2272109096 VPYJEGNRSNTNJO-OAHLLOKOSA-N 454.577 5.250 50 10 JKGE CCOc1ccccc1NC=C(C#N)c1nc(-c2cc3c(ccc4ccccc43)oc2=O)cs1 2295882853 NAXARHWQZVAZCV-UHFFFAOYSA-N 465.534 6.445 50 10 JKGE C[C@H]1Cc2cc(-c3nn(-c4ccccc4)cc3C=C(C#N)c3nc(O)c4ccccc4n3)ccc2O1 2296722579 UOKKRABQNZTVOE-SFHVURJKSA-N 471.520 5.576 50 10 JKGE CC(C)(C)c1ccc(OCCn2cc(C=C(C#N)C(=O)Nc3ccc(F)cc3)c3ccccc32)cc1 2296806898 CHVUDLZUYNBHSH-UHFFFAOYSA-N 481.571 6.703 50 10 JKGE Cc1cc(OCCn2cc(C=C(C#N)C(=O)Nc3ccc(F)cc3)c3ccccc32)ccc1Cl 2296968813 YEGIMXZMVFJITG-UHFFFAOYSA-N 473.935 6.367 50 10 JKGE CC(C)C(C(C)C)[C@@H](Br)c1ccc(OCc2ccccc2)cc1Br 2299529381 BCFXEKJBLMGCNO-NRFANRHFSA-N 454.246 7.392 50 10 JKGE CO[C@@H]1C[C@@]2([C@H](Br)c3ccc(OCc4ccccc4)cc3Br)C[C@@H]12 2299529929 HEOCAWTVDROYIB-NBYUQASBSA-N 452.186 5.889 50 10 JKGE Brc1ccc(OCc2ccccc2)c([C@H](Br)CC[C@H]2CCCO2)c1 2299534504 DQZUUPREFNRWMP-IEBWSBKVSA-N 454.202 6.423 50 10 JKGE Cn1cc(Br)c([C@H](Cl)c2cc(Br)ccc2OCc2ccccc2)n1 2299535080 LBXNWVZSZNZYPC-QGZVFWFLSA-N 470.592 5.852 50 10 JKGE Cc1c(Br)cccc1[C@@H](Cl)c1sc(Cl)cc1I 2300955903 SATDTDJKYFTQKL-LLVKDONJSA-N 461.977 6.405 50 10 JKGE Cc1cc(Br)sc1[C@@H](Cl)c1c(Br)c(Br)nn1C 2301046908 UIZNQULEISBHCX-ZETCQYMHSA-N 463.420 5.406 50 10 JKGE Cl[C@H](c1c(Br)sc(Br)c1Br)[C@H]1OC[C@@H]2CCC[C@H]12 2312252796 HZHIDOUHMQYFFM-DERVNVNRSA-N 479.459 6.131 50 10 JKGE COc1cc(C=C(C#N)C(=O)Nc2ccccc2)ccc1OCc1ccc(Br)cc1 2313510926 DSIJOQFWENINOR-UHFFFAOYSA-N 463.331 5.582 50 10 JKGE CCOc1cc(C=C(C#N)C(=O)N(C)C)c(Br)cc1OCc1ccccc1Cl 2313568900 YLNLDBSEYOAJGN-UHFFFAOYSA-N 463.759 5.075 50 10 JKGE CCOc1cc(C=C(C#N)C(=O)Nc2ccc(Cl)cc2)ccc1OCc1cccc(F)c1 2313630700 FBIZWZGMKUHETB-UHFFFAOYSA-N 450.897 6.002 50 10 JKGE CC12CC([C@@H](Br)c3ccc(OCc4ccccc4)cc3Br)(CCO1)C2 2314441269 XMRYDEHPNSRLMO-MWXLCCTBSA-N 466.213 6.423 50 10 JKGE COc1cccc([C@H](Br)c2cc(Br)ccc2OCc2ccccc2)c1 2314449646 RLWVWSRETFOKIH-NRFANRHFSA-N 462.181 6.521 50 10 JKGE C[C@@H](C[C@@H](Br)c1cc(Br)ccc1OCc1ccccc1)CC(C)(C)C 2314492335 WJWCZAWZKJMHJW-OXJNMPFZSA-N 468.273 7.927 50 10 JKGE FC1(F)CCOC[C@H]1[C@@H](Br)c1ccc(OCc2ccccc2)cc1Br 2314499619 DXIFHEVTHMVFJA-WMZOPIPTSA-N 476.155 6.136 50 10 JKGE CCCCCCOc1ccc(C=C(C#N)C(=O)Nc2ccc(C(=O)OCCOCC)cc2)cc1OC 2314729112 WPIQSULDZAGCGV-UHFFFAOYSA-N 494.588 5.393 50 10 JKGE Fc1c(Br)cc(Cl)c([C@@H](Cl)c2cc(Br)co2)c1Br 2315444016 QKPJPPSIOYWNEV-JTQLQIEISA-N 481.768 6.688 50 10 JKGE Cc1cc([C@@H](Br)c2c(Cl)cc(Br)c(F)c2Br)co1 2315458538 NRACNNXWYFPIMM-SNVBAGLBSA-N 461.350 6.390 50 10 JKGE CCOc1ccc(C=NNC(=O)c2ccc(-c3ccc(Cl)cc3Cl)nc2C)cc1OCC 2321242221 VALALRCWXOEKHZ-UHFFFAOYSA-N 472.372 5.925 50 10 JKGE O=C(NN=Cc1cccc(OCc2cccc(Cl)c2)c1)c1ccc2[nH]c3c(c2c1)CCCC3 2321672234 QGECVBCGPHOYIT-UHFFFAOYSA-N 457.961 6.043 50 10 JKGE BrCCC1CCN(Cc2ccc(I)c(Br)c2)CC1 2325213518 KXYBKSWJCBJLFI-UHFFFAOYSA-N 487.017 5.051 50 10 JKGE Cc1cc(Br)c([C@H](Br)[C@@H]2CC[C@H]3C[C@@H]2CO3)cc1Br 2328716194 TYJLZFDGQIBZBM-JNIYBQFBSA-N 453.012 5.771 50 10 JKGE CC(C)(C)[C@@H]1CCc2c(sc(NC(=O)C(C#N)=Cc3ccc(Br)cc3)c2C(N)=O)C1 2329665335 IYQXDXHZLNMRCP-OAHLLOKOSA-N 486.435 5.306 50 10 JKGE COc1ccc([C@H](NC(=O)C(C#N)=Cc2cccc(Br)c2)c2nc(C)cs2)cc1 2329693098 HZCATLSCVLWSEH-FQEVSTJZSA-N 468.376 5.035 50 10 JKGE N#CC(=C(O)c1ccccc1I)c1nc(-c2ccc(Cl)cc2Cl)cs1 2331254457 OMDXZFBSEGEBGV-UHFFFAOYSA-N 499.160 6.671 50 10 JKGE C[C@H](c1ccccc1)N1C[C@@H](C(O)=C(C#N)c2nc(-c3cc(Cl)ccc3Cl)cs2)CC1=O 2331404619 UWWJFJSVNZPTNN-ZBFHGGJFSA-N 484.408 6.519 50 10 JKGE CCCCCOc1ccc(C=C(C#N)c2nc(-c3c(C)cc(C)cc3C)cs2)cc1OCC 2331477516 XRKNQIUGYNMHBC-UHFFFAOYSA-N 460.643 7.767 50 10 JKGE Cc1c(F)ccc([C@@H](Cl)c2cc(Br)ccc2OCc2ccccc2)c1Cl 2338566706 PXISINWLKGNZLY-OAQYLSRUSA-N 454.166 7.457 50 10 JKGE Cc1cc(Br)c(F)c(Br)c1[C@H](Br)[C@H](C)CC(F)(F)F 2339676657 AELSAHQCFHVOND-HZGVNTEJSA-N 470.924 6.684 50 10 JKGE ClC[C@@H]1CCC2(CCC2)N1Cc1ccc(I)c(Br)c1 2349826016 FVHYVVSWRNELGU-LBPRGKRZSA-N 454.577 5.180 50 10 JKGE Cc1c(Br)sc([C@@H](Cl)c2cc(F)c(Cl)cc2Cl)c1Br 2351640918 GMSLYLXNYJDUDH-JTQLQIEISA-N 467.412 7.356 50 10 JKGE Cc1cc(Br)c(F)c(Br)c1[C@H](Cl)Cc1ccc(Br)cc1 2365189202 SFIJUSSYVJYAJI-GFCCVEGCSA-N 485.416 6.944 50 10 JKGE Fc1cc(CBr)cc(F)c1OCc1ccc(Cl)cc1I 2365648183 QYMFMDYSEZXMJD-UHFFFAOYSA-N 473.482 5.697 50 10 JKGE CC(C)[C@H](Cl)C(C)(C)CNC(=O)c1ccc(I)c(Br)c1 2365861615 NEDTVPNWWFXPPT-ZDUSSCGKSA-N 472.592 5.073 50 10 JKGE Clc1cc(Cl)cc(CC[C@H](Cl)c2c(Br)cccc2Br)c1 2366885390 RAGBXDXSUSXYQC-AWEZNQCLSA-N 457.420 7.431 50 10 JKGE CC(C)(C)OC(=O)N[C@]12CCC(F)(F)C[C@@H]1CN(C[C@@H](CBr)C(C)(C)C)C2 2370149094 LZOOHJNKTWCYBQ-CLCXKQKWSA-N 453.412 5.058 50 10 JKGE FC(F)(F)[C@H]1[C@@H](Br)CCCN1Cc1ccc(Br)cc1Br 2370303595 NYFQTKOQDRTXSR-CMPLNLGQSA-N 479.960 5.502 50 10 JKGE CC(C)(C)c1ccc(C(=O)CCCSC2=C(C#N)[C@H](c3ccco3)C3=C(CCCC3=O)N2)cc1 4695328 WWWXSWUZAZYIIZ-RUZDIDTESA-N 474.626 6.402 50 10 JKGE CC[C@H](Oc1ccccc1[C@H](C)CC)C(=O)NNC(=O)c1ccc(NC(=O)c2ccccc2C)cc1 10683377 XUNKTKDINSUBJJ-CLOONOSVSA-N 487.600 5.379 50 10 JKGE C=CCc1cc(/C=N/NC(=O)c2cc3ccccc3o2)cc(OCC)c1OCc1ccc([N+](=O)[O-])cc1 33652070 BWQOSRIAQOLFES-STBIYBPSSA-N 499.523 5.811 50 10 JKGE Cc1ccc(C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@H]3c2ccc(OCc3ccccc3)cc2)cc1 38650894 UKBNTYWBSRFSHO-LJAQVGFWSA-N 488.543 6.011 50 10 JKGE N#CC1=C(N)Oc2cc(OC(=O)Cc3ccc(Cl)cc3)ccc2[C@H]1c1ccccc1Cl 38651099 IYTDLRRRANICAP-HSZRJFAPSA-N 451.309 5.360 50 10 JKGE C=CCOc1ccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4ccc(OCCCC)cc4)ccc32)cc1 38658141 WXGMHFNBZWYPQF-NDEPHWFRSA-N 496.563 5.868 50 10 JKGE COc1cccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4oc5ccccc5c4C)ccc32)c1 38687312 BUVPHZWEIYDKND-DEOSSOPVSA-N 452.466 5.187 50 10 JKGE CCCCC1CCC(C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@H]3c2c(Cl)cccc2Cl)CC1 38700579 NDUQXHJSLRMRCP-DFSZNTFHSA-N 499.438 7.114 50 10 JKGE Cc1ccc(Nc2ncnc(NNC(=O)C(c3ccccc3)c3ccccc3)c2[N+](=O)[O-])c(C)c1 40621214 CAIWREBQOXRWEF-UHFFFAOYSA-N 468.517 5.020 50 10 JKGE Cc1c(C(=O)Nc2ccccc2C(F)(F)F)oc2c1/C(=N/NC(=O)c1ccccc1F)CCC2 40812372 JJSFMIKKXOIPMY-UXHLAJHPSA-N 473.426 5.469 50 10 JKGE CCCCCCOc1ccc(/C=C(\C#N)C(=O)Nc2ccc(C(=O)OCCCC)cc2)cc1OC 40853595 PMZHQKSCFWXOFK-PTGBLXJZSA-N 478.589 6.157 50 10 JKGE COc1cccc(/C=C(/C#N)C(=O)Nc2cccc(Cl)c2)c1OCc1ccccc1Cl 59117024 RBPNSIQJNMTLSA-PDGQHHTCSA-N 453.325 6.127 50 10 JKGE CCCN(CCC)c1ccc(C(=O)N/N=C2\C(=O)N(Cc3ccccc3Cl)c3ccccc32)cc1 59165181 BTVHVIJVIICLAF-BXVZCJGGSA-N 489.019 5.647 50 10 JKGE O=C(N/N=C/c1cc(-c2ccccc2)n(-c2ccc(Cl)cc2)c1-c1ccccc1)c1cccnc1 59427561 UDHIFESUHUWHEA-UZWMFBFFSA-N 476.967 6.624 50 10 JKGE Cc1cc(C(=O)/C(C#N)=C\C=C2\N(C)c3ccccc3C2(C)C)c(C)n1-c1cccc(C(F)(F)F)c1 96297843 UBQGSMFHDRIHRK-VAYXRYNXSA-N 489.541 7.057 50 10 JKGE COc1ccc(OCc2cc(/C=C(/C#N)C(=O)NC(C)(C)CC(C)(C)C)ccc2OC)cc1 96504315 UGKXHVZFHDREFO-ZHZULCJRSA-N 450.579 5.521 50 10 JKGE CCCCCN1C(=O)C(C#N)=C(C)/C(=C\c2cn(-c3ccccc3)nc2-c2ccc(C)c(F)c2)C1=O 101333302 HBYRAEQWFFESCQ-BUVRLJJBSA-N 482.559 5.769 50 10 JKGE CCCCCCCC(=O)N/N=C/c1ccc(Sc2nnc(-c3ccccc3)n2-c2ccccc2)o1 103747156 HEZIACKWLPSBOT-VFCFBJKWSA-N 487.629 6.489 50 10 JKGE CC(C)Oc1cccc([C@@H](Br)c2cc(Br)sc2Br)c1 109870185 WIOHCXOWGOABOV-CYBMUJFWSA-N 469.036 6.545 50 10 JKGE CCCC[C@H](CC)CC(CBr)(CBr)c1ccccc1Br 118878891 QSVGJDIKAJYCCU-AWEZNQCLSA-N 469.099 7.083 50 10 JKGE COc1ccc([C@@H](Br)c2ccc(Br)c(Cl)c2)c(Br)c1 148975406 ONUDRODVKZFEDS-AWEZNQCLSA-N 469.398 6.358 50 10 JKGE CC[C@@H](C)c1ccc([C@@H](Br)c2cc(Br)ccc2Br)cc1 161081980 DKLNQMPPDFPWMG-PIGZYNQJSA-N 461.035 7.209 50 10 JKGE O=C(NC[C@H](Br)c1ccccc1)c1cc(Br)ccc1Br 161216534 PHUWYHXCWOYDGJ-AWEZNQCLSA-N 461.979 5.078 50 10 JKGE CCCOc1ccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)/C=C\c4ccc(OC)cc4)ccc32)cc1 205642569 ANYOMCVZMMXRIL-IKWACOBUSA-N 482.536 5.321 50 10 JKGE Clc1c(Br)cccc1[C@@H](Cl)c1cc2c(cc1Br)OCCO2 228451254 SGXGDWIADOOGDD-CQSZACIVSA-N 452.957 5.964 50 10 JKGE CCc1ccc([C@@H](Br)c2cc(Br)cc(Br)c2)cc1CC 234195070 WZPTXMCLHNDWCL-QGZVFWFLSA-N 461.035 6.821 50 10 JKGE Cc1cc([C@H](Br)c2cc(Cl)ccc2I)c(C)cc1Cl 235858933 PFIKIXHCSJKDAQ-HNNXBMFYSA-N 469.975 6.699 50 10 JKGE Cc1ccc(-c2nnc(SCC(=O)NN=Cc3ccccc3C)n2-c2ccc(C)cc2)cc1 254612664 VRWQCTIZHYQYGW-UHFFFAOYSA-N 455.587 5.102 50 10 JKGE O=C(NN=Cc1c2ccccc2cc2ccccc12)/C(=C/c1cccs1)NC(=O)c1ccccc1 254696208 IRXLAMSMWCMDNY-SXPGPPTDSA-N 475.573 5.976 50 10 JKGE CCc1ccc2c(Cl)c(C(=O)NN=C(C)c3ccc(NC(=O)C(F)(F)F)cc3)sc2c1 254846116 JKRAWAHFMJTLRN-UHFFFAOYSA-N 467.900 5.772 50 10 JKGE BrCc1cccc2sc(I)c(I)c12 306824246 VWOCARXEQIRAMG-UHFFFAOYSA-N 478.918 5.005 50 10 JKGE Cc1c(Br)cn2c(Br)c(CCl)nc2c1NC(=O)OC(C)(C)C 669369121 BVXGLONFONPZRK-UHFFFAOYSA-N 453.562 5.254 50 10 JKGE COCc1cc(Br)c([C@H](Br)C(C(F)(F)F)C(F)(F)F)s1 688058837 FNIQCUAUQOEJLD-LURJTMIESA-N 450.036 5.834 50 10 JKGE COc1ccc(C[C@H](Cl)c2ccc(I)c(Br)c2)cc1 721572480 LIRDAXYDEFDYBK-AWEZNQCLSA-N 451.529 5.585 50 10 JKGE Cc1ccccc1C(=O)Nc1ccc(C(=O)NN=Cc2cccc(OCc3ccccc3)c2)cc1 1084032872 QQMITVKZLXZIOK-UHFFFAOYSA-N 463.537 5.590 50 10 JKGE O=C(NN=Cc1cn(Cc2ccc(Cl)c(Cl)c2)c2ccccc12)c1cc2ccccc2o1 1084311144 LSMQFSPZPKVUPW-UHFFFAOYSA-N 462.336 6.507 50 10 JKGE O=C(NN=C(c1ccc(Cl)cc1)c1ccc(C(F)(F)F)cc1)Nc1ccc(Cl)cc1 1088668364 NQSWTIPGZRIXFR-UHFFFAOYSA-N 452.263 6.586 50 10 JKGE C[C@H](Br)C(=O)Nc1ccc(Oc2ccc(NC(=O)[C@@H]3CCCC[C@H]3C(=O)O)cc2)cc1 1859504714 FDBCTGNKHLIUEW-VHKYSDTDSA-N 489.366 5.030 50 10 JKGE COc1ccc(-c2nn(-c3cccc4ccccc34)c3c2[C@H](c2ccccc2F)C(C#N)=C(N)O3)cc1 1865684478 ZCFAFPIJFIMYKK-AREMUKBSSA-N 488.522 6.058 50 10 JKGE CCc1nn(Cc2cccc(Cl)c2)c2c1[C@@H](c1ccc(Cl)cc1Cl)C(C#N)=C(N)O2 1865685093 CZLQEONJLFWORB-IBGZPJMESA-N 459.764 5.672 50 10 JKGE C=CCOc1ccccc1[C@@H]1C(C#N)=C(N)Oc2c1c(-c1ccccc1)nn2-c1ccc(Cl)cc1 1865690845 CNGCHUVMCNBXHY-XMMPIXPASA-N 480.955 5.976 50 10 JKGE CCn1nc(C)c2c1OC(N)=C(C#N)[C@@H]2c1ccc(OCc2ccc(Cl)cc2Cl)c(OC)c1 1865703597 CFVGJTJYXVUKRB-QFIPXVFZSA-N 485.371 5.324 50 10 JKGE CCc1nn(-c2ccc(Cl)c(Cl)c2)c2c1[C@@H](c1ccc(Cl)c([N+](=O)[O-])c1)C(C#N)=C(N)O2 1865705939 JWGKVSHLZBVBPQ-SFHVURJKSA-N 490.734 5.521 50 10 JKGE COc1ccc(-c2nn(-c3ccc(Cl)cc3)c3c2[C@H](c2cccc(C)c2)C(C#N)=C(N)O3)cc1 1865711166 REZIFIDGFMHKML-HSZRJFAPSA-N 468.944 5.728 50 10 JKGE CC[C@](C)(NC(=O)[C@@H](C)c1ccc(Br)cc1)C(=O)Nc1ccc(SC#N)cc1 1866943420 BUOKXMLKQZXTMS-QKKBWIMNSA-N 460.397 5.049 50 10 JKGE CCCCc1ccc(-c2csc(/C(C#N)=C(\O)COc3ccc(Cl)cc3Cl)n2)cc1 1872745241 ZERRRULOGRQJAQ-UZYVYHOESA-N 459.398 7.331 50 10 JKGE CCOc1ccc(OCC)c(-c2csc(/C(C#N)=C(O)/C=C/c3ccc(OC)c(OC)c3)n2)c1 1872755092 YDCVHLAZHYTAQV-WTJRMIHXSA-N 478.570 6.131 50 10 JKGE CCOC(=O)Oc1ccc(/C(O)=C(\C#N)c2nc(-c3ccc(OC)c(Cl)c3)cs2)cc1 1872757635 OSGFXYIIBKAIOV-SILNSSARSA-N 456.907 5.957 50 10 JKGE COc1cc(/C=C(\C#N)c2nc(-c3cccc([N+](=O)[O-])c3)cs2)ccc1OCCc1ccccc1 1872782544 MFYQHFAAHNOQOC-HYARGMPZSA-N 483.549 6.413 50 10 JKGE CC(C)[C@H](NC(=O)OC(C)(C)C)C(=O)N/N=C/c1ccccc1OCc1ccc(Cl)cc1Cl 1873795743 ZTQSMAKEENKHGS-HFLRGAGPSA-N 494.419 5.572 50 10 JKGE CP(C)(=O)[C@@H](Br)CCc1ccc(I)c(Br)c1 1904343450 JBOYPMVHDZYDEB-LLVKDONJSA-N 479.918 5.330 50 10 JKGE O=C(NCC1CCC(CBr)CC1)c1scc(Br)c1Br 1922688838 MKJYUQZPADIMSO-UHFFFAOYSA-N 474.056 5.204 50 10 JKGE Cc1cccc([C@@H](Cl)c2sc(Br)c(C)c2Br)c1Br 1922938263 CXFJEEPSQRJOPV-LLVKDONJSA-N 473.455 6.981 50 10 JKGE COc1ccc([C@H](Br)c2c(Br)sc(Br)c2Cl)cc1 1923040204 SVTCFLCZBIZDNV-VIFPVBQESA-N 475.427 6.419 50 10 JKGE Clc1c(Br)sc(Br)c1[C@@H](Cl)[C@H]1COc2ccccc2O1 1923050330 SWFKGSLQIFCDQF-SCZZXKLOSA-N 458.986 6.046 50 10 JKGE C[C@@H]1CC[C@H]([C@H](Br)c2c(Br)sc(Br)c2Cl)C1 1923070432 AKDFMOPIKXSTJM-CHKWXVPMSA-N 451.449 6.799 50 10 JKGE Brc1sc(Br)c([C@@H](Br)c2ccco2)c1Br 1924576071 JFTKKAIZWGHOSB-LURJTMIESA-N 479.813 6.113 50 10 JKGE C[C@H]1COc2ccc([C@@H](Br)c3cccc(Br)c3Br)cc21 1925683013 AYSRIVQYAIIDOQ-BJOHPYRUSA-N 460.991 6.192 50 10 JKGE Clc1cc([C@@H](Br)c2cc(Br)sc2Br)sc1Cl 1939433612 VUBYHGKNSLPGLP-ZETCQYMHSA-N 485.875 7.126 50 10 JKGE CC1(C)CC[C@H]1[C@@H](Br)c1c(Br)sc(Br)c1Cl 1987991668 PMAYQWLIARRUEB-CAHLUQPWSA-N 451.449 6.799 50 10 JKGE CO[C@H]1C[C@@H](C[C@H](Cl)c2c(Br)sc(Br)c2Br)C1 2002403069 TYUNHLGLLGPUHH-XVMARJQXSA-N 467.448 6.131 50 10 JKGE C[C@@]1([C@H](Br)c2c(Br)sc(Br)c2Cl)COCCO1 2021896516 OCTIOYMGZJMLIM-XCBNKYQSSA-N 469.420 5.168 50 10 JKGE COc1ccccc1C[C@@H](Br)c1csc(Br)c1Br 2032954232 ZEKQMICEOFKXKX-SNVBAGLBSA-N 455.009 5.960 50 10 JKGE Brc1sc([C@@H](Br)c2cccc(I)c2)cc1C1CC1 2033641544 BDZZZOUNWCBWGZ-ZDUSSCGKSA-N 498.021 6.477 50 10 JKGE O=C(CBr)c1ccc(-c2ccc(C(=O)C(Br)Br)cc2)cc1 2080520539 WCYDTIAMWAYBCO-UHFFFAOYSA-N 474.974 5.230 50 10 JKGE Cc1c(Br)ccc([C@H](Br)c2cc(Cl)sc2Cl)c1Br 2083338433 MZDAHNQZIGEKCK-NSHDSACASA-N 493.873 7.373 50 10 JKGE Brc1cccc(Br)c1CN1CC[C@H]2CC[C@@H](Br)[C@H]1C2 2094087644 BSAHGFYZKAOZII-VCTAVGKDSA-N 452.028 5.350 50 10 JKGE Fc1cccc([C@@H](Br)c2cc(C3CC3)c(Br)s2)c1Br 2094673028 GNPAZYOQLSZYSQ-CYBMUJFWSA-N 469.011 6.774 50 10 JKGE Cc1ccc([C@@H](Br)c2c(Br)sc(C)c2C)c(C)c1Br 2101012467 RMTLYBIKPWXVHQ-CQSZACIVSA-N 467.064 6.991 50 10 JKGE BrC[C@]1(Cc2c(Br)cccc2Br)CCCC12CCC2 2117004941 SDESIUORJJHBOV-MRXNPFEDSA-N 451.040 6.490 50 10 JKGE C[C@]1(CBr)CC(F)(F)CN1Cc1cc(Br)ccc1Br 2118530639 SMABVKTZOMGQPF-GFCCVEGCSA-N 461.970 5.206 50 10 JKGE CN(C(=O)c1cc(Br)sc1Br)[C@@H](CCBr)C(F)(F)F 2122003539 VUGYEIUYIAYCEA-LURJTMIESA-N 487.961 5.061 50 10 JKGE CC1(C)CCCN(Cc2cccc(Br)c2Br)[C@@H]1CBr 2129323531 WVGOAZZWGXJIRS-CYBMUJFWSA-N 454.044 5.597 50 10 JKGE Cc1cc(Br)c(C)c([C@H](Br)[C@@H]2C[C@@H]2C(C)(F)F)c1Br 2136369946 GWPAQVFJVFCUCI-VYUIOLGVSA-N 460.982 6.556 50 10 JKGE Clc1cc(Br)cc(Cl)c1Oc1ccc(CBr)cc1Br 2138253977 WJGHSAVZZXEXQL-UHFFFAOYSA-N 489.816 7.206 50 10 JKGE Cc1c(Br)ccc([C@H](Br)[C@H]2C[C@]23CCCOC3)c1Br 2138848940 HUQBBLRUEAHRPQ-UGFHNGPFSA-N 453.012 5.773 50 10 JKGE CC1(C)C[C@H](Br)C[C@H](NC(=O)c2c(Br)cccc2Br)C1 2150492586 BNKAPKBFQVKQQA-ZJUUUORDSA-N 468.027 5.284 50 10 JKGE COCCc1ccc([C@@H](Br)c2c(Br)cccc2Br)cc1 2150495176 VVIMLXXCRFVJGH-MRXNPFEDSA-N 463.007 5.885 50 10 JKGE CCn1ncc(Br)c1[C@@H](Br)c1cc(C)c(Br)cc1OC 2150663789 JAOZJPCCNIMPMQ-ZDUSSCGKSA-N 466.999 5.229 50 10 JKGE C[C@H](Cl)c1nc2cncc(Br)c2n1-c1cccc(I)c1 2151779568 HTWCGLLGVPXWNZ-QMMMGPOBSA-N 462.516 5.087 50 10 JKGE C[C@H](N(Cc1ccccc1)S(=O)(=O)c1cc(CBr)c(Cl)cc1Cl)C(C)(C)C 2179829897 GECAMYSZEDAYGK-AWEZNQCLSA-N 493.294 6.514 50 10 JKGE COc1cc(Cl)c([C@@H](Cl)c2c(Cl)cccc2Br)cc1Br 2202366032 RSUYEIKPKOILOP-CQSZACIVSA-N 459.392 6.855 50 10 JKGE Cc1cc(Br)c([C@@H](Br)C2C3(CCC3)C23CCC3)cc1Br 2203989720 SKMSKCKCPBULME-CQSZACIVSA-N 463.051 6.926 50 10 JKGE COc1cc(F)c(F)cc1[C@@H](Br)Cc1ccccc1I 2204480884 JOVYMCCLQKEDLO-NSHDSACASA-N 453.064 5.257 50 10 JKGE CCC[C@H](Br)Cc1sc(Br)c(Br)c1Br 2209978543 YPJCDTIQKUKCLB-YFKPBYRVSA-N 469.862 6.142 50 10 JKGE Cc1sc([C@@H](Br)c2cc(Br)ccc2Br)c(C)c1C 2221239075 XJCKCOVGSJFYKP-ZDUSSCGKSA-N 453.037 6.683 50 10 JKGE Cn1ncc(Br)c1[C@H](Cl)c1c(Br)cc(Cl)c(Cl)c1Cl 2224307679 PCUDGOWQAWRPAR-SNVBAGLBSA-N 467.803 6.234 50 10 JKGE Fc1cc(Br)c(Br)cc1[C@H](Br)[C@H]1C[C@H]1C1CCCC1 2225618496 XWINVLXRHMLWQV-AMJWSMQMSA-N 455.003 6.613 50 10 JKGE Brc1scc([C@@H](Br)c2ccc([C@H]3CCOC3)s2)c1Br 2231740160 BIDRYIRIIIOXRM-WRWORJQWSA-N 487.076 6.323 50 10 JKGE Brc1csc([C@H](Br)c2ccc([C@H]3CCOC3)s2)c1Br 2231750863 UIPPWSDLBLCARI-JVXZTZIISA-N 487.076 6.323 50 10 JKGE Clc1cc(Br)c([C@H](Br)[C@@H]2C[C@H]3O[C@H]2[C@H]2C[C@H]23)c(Cl)c1Cl 2232518924 HVARZALNBJSGPB-GGVHHTSLSA-N 461.408 6.269 50 10 JKGE Cc1cccc([C@@H](Br)c2c(Br)cc(C)c(Br)c2C)c1C 2235598317 HKLCUYJLAKNKRI-QGZVFWFLSA-N 461.035 6.930 50 10 JKGE Cc1cc(Br)c([C@H](Cl)c2nn(C)c(Br)c2C)c(C)c1Br 2235606621 WQBITKSAXNYELM-LBPRGKRZSA-N 485.445 5.961 50 10 JKGE COc1cc(Cl)c([C@@H](Cl)c2sc(C)c(C)c2Br)cc1Br 2237631592 LQHNIYAJLBFLFZ-CYBMUJFWSA-N 459.030 6.880 50 10 JKGE Cl[C@H](c1ccc2c(c1Br)CCO2)c1c(Br)cccc1Br 2238077168 QWNGGSLOZLXWDO-OAHLLOKOSA-N 481.409 6.237 50 10 JKGE Clc1cc(CN2C[C@H](Br)CC23CCCCC3)ccc1I 2241058295 YKNOSWQVRMBXLA-CYBMUJFWSA-N 468.604 5.617 50 10 JKGE Cc1cc(Br)sc1[C@H](Cl)Cc1cc(Br)cc(Br)c1 2263452616 NACUVYWAINTCTO-LLVKDONJSA-N 473.455 6.867 50 10 JKGE Clc1c(Br)csc1[C@@H](Cl)c1cc2sc(Br)cc2s1 2263616644 WRQVCUWRFMYVSW-JTQLQIEISA-N 463.068 7.531 50 10 JKGE CCc1cc([C@H](Br)c2cc(C)c(Br)c(C)c2)sc1Br 2267759781 SHXMGGKTLYWCPM-CQSZACIVSA-N 467.064 6.937 50 10 JKGE COc1ccc([C@H](Cl)c2scc(Br)c2Cl)c(Br)c1Cl 2268256783 DEDCPELBSRKYEB-VIFPVBQESA-N 465.421 6.917 50 10 JKGE Fc1ccc([C@@H](Br)c2ccc(C3CCC3)s2)c(I)c1 2271973944 YECVKQCGKJVUGW-OAHLLOKOSA-N 451.142 6.244 50 10 JKGE C[C@H]([C@H]1CCCO1)[C@@H](Br)c1c(F)cc(Br)c(F)c1Br 2272728592 LBSDQAMENLVCMA-KNBVPPQFSA-N 462.954 5.741 50 10 JKGE CC(F)(F)C(C)(C)[C@H](Br)c1c(F)cc(Br)c(F)c1Br 2272734516 QTUABPHRHBCGDI-SNVBAGLBSA-N 470.924 6.607 50 10 JKGE COc1cc(Cl)c([C@@H](Br)c2sccc2I)c(OC)c1 2277615078 XWDOFKCTVRKNSD-GFCCVEGCSA-N 473.557 5.508 50 10 JKGE COc1cc(OC)c([C@H](Br)c2ccsc2Br)cc1Br 2278017779 MCZVNEXJBXTHIJ-GFCCVEGCSA-N 471.008 5.775 50 10 JKGE Fc1cc(Br)c(F)c(Br)c1[C@@H](Br)CC12CCC(CC1)C2 2288481237 SRPDZSQMBCHNMQ-VGWYGZTPSA-N 472.993 6.896 50 10 JKGE Cc1ccc(Cl)cc1NC(=O)C(C#N)=Cc1c(C)n(Cc2ccccc2Cl)c2ccccc12 2294171935 KUSCFYFTBHXZEZ-UHFFFAOYSA-N 474.391 7.159 50 10 JKGE C#CCOc1cc(Br)c(C=C(C#N)C(=O)Nc2ccc(C)c(Cl)c2)cc1OCC 2294187455 RHVGNAMZFFAGGO-UHFFFAOYSA-N 473.754 5.367 50 10 JKGE N#CC(=Cc1cn(Cc2ccc(Cl)cc2Cl)c2ccccc12)C(=O)NCc1ccco1 2294732802 SJGWUWVZAVLHEU-UHFFFAOYSA-N 450.325 5.813 50 10 JKGE COc1c(Br)cc([C@H](Br)c2cc(Br)cs2)c(OC)c1C 2295436717 FZZMALWSFCBYOC-LBPRGKRZSA-N 485.035 6.083 50 10 JKGE N#CC(=Cc1cc(Cl)ccc1OCc1cccc(C(F)(F)F)c1)C(=O)NCc1cccnc1 2295672246 GGXBFRDPSRPBCZ-UHFFFAOYSA-N 471.866 5.556 50 10 JKGE Oc1nc(=Nc2ccccc2)ccn1C(=N[C@@H](Cl)c1ccccc1)C(Cl)(Cl)Cl 2297736474 ZEHRKWKTQWKYAD-MRXNPFEDSA-N 456.160 5.376 50 10 JKGE BrC[C@@H](Cc1sccc1I)c1ccccc1Br 2301052751 KEBTXEGPQLEWGF-SECBINFHSA-N 486.010 5.836 50 10 JKGE BrCc1ccc(Br)cc1OCc1sccc1I 2301068659 NOSWYQGFSXLROO-UHFFFAOYSA-N 487.982 5.589 50 10 JKGE Brc1cc(Br)c([C@@H](Br)[C@@H]2OC[C@@H]3CCCC[C@@H]32)s1 2312253851 FKIASHMQDJEPQN-RJVLYZLMSA-N 459.041 5.914 50 10 JKGE CCO[C@@H]1CC[C@H]([C@H](Br)c2cc(Br)ccc2OCc2ccccc2)C1 2314502008 DHSZMAQTIGGSHO-CDXJDZJCSA-N 468.229 6.669 50 10 JKGE Fc1cc(Br)cc([C@@H](Cl)c2cc(Br)ccc2OCc2ccccc2)c1 2314503363 RKYJCGMVLUCIED-HXUWFJFHSA-N 484.590 7.258 50 10 JKGE FC(F)CC1([C@@H](Br)c2ccc(OCc3ccccc3)cc2Br)CCC1 2314504031 YOKRPRJMOXPEBI-IBGZPJMESA-N 474.183 7.290 50 10 JKGE CCc1ccc(N2C(=O)[C@H](Cc3ccc(F)cc3)SC2=C(C#N)C(=O)N[C@H](C)c2ccccc2)cc1 2314593579 POEBIVJOVOZLOY-BCHFMIIMSA-N 499.611 5.692 50 10 JKGE C[C@@H](C[C@H](Br)c1c(Cl)cc(Br)c(F)c1Br)C(F)F 2315461211 RBUVRWXFJXVGAP-WHFBIAKZSA-N 473.352 6.731 50 10 JKGE Cc1ccc([C@H](C)[C@H](Br)c2sc(Cl)cc2I)cc1 2316768720 BVQOXDBGLCZVOX-ZANVPECISA-N 455.586 6.554 50 10 JKGE BrCc1cc(Br)cc(Br)c1OC[C@H]1C[C@@H]2CC[C@H]1O2 2329971557 WHQQMMLLZFPEHJ-SUZMYJTESA-N 454.984 5.053 50 10 JKGE C[C@@H](Oc1ccc(Cl)cc1Cl)C(O)=C(C#N)c1nc(-c2ccc3ccccc3c2)cs1 2331238972 HSFUMBVNOWQDMW-CQSZACIVSA-N 467.377 7.530 50 10 JKGE COc1ccc(-c2csc(C(C#N)=C(O)[C@@H]3CC(=O)N([C@H](C)c4ccccc4)C3)n2)cc1OC 2331242537 LXLJEKFQLIYHCQ-VQIMIIECSA-N 475.570 5.230 50 10 JKGE C[C@@H](C(O)=C(C#N)c1nc(-c2ccc(Cl)cc2Cl)cs1)N1C(=O)c2ccccc2C1=O 2331250713 WZIJKATYNYOYBA-NSHDSACASA-N 470.337 5.594 50 10 JKGE N#CC(=C(O)C(c1ccccc1)c1ccccc1)c1nc(-c2ccc(Br)cc2)cs1 2331259751 XHSAGEADDKGYJV-UHFFFAOYSA-N 473.395 7.197 50 10 JKGE CCCOc1ccc(-c2csc(C(C#N)=C(O)c3ccc4c(c3)C(=O)N([C@@H](C)CC)C4=O)n2)cc1 2331318469 OONDINPQEBTCCZ-INIZCTEOSA-N 487.581 5.943 50 10 JKGE CCOc1cc(C(O)=C(C#N)c2nc(-c3ccc(OC)cc3OC)cs2)cc(OCC)c1OCC 2331385819 KZKIGPAGEWYYKJ-UHFFFAOYSA-N 496.585 5.973 50 10 JKGE COc1ccc(-c2csc(C(C#N)=C(O)c3c(Cl)ccc(Cl)c3Cl)n2)c2ccccc12 2331408264 PTOSPTCSHLBCPO-UHFFFAOYSA-N 487.795 7.882 50 10 JKGE CCCCCCOc1c(Br)cc(C=C(C#N)c2nc(C(C)C)cs2)cc1OC 2331451164 WILNADAGTZIXEH-UHFFFAOYSA-N 463.441 7.061 50 10 JKGE COc1ccc([C@@H](Br)c2ccc(OCc3ccccc3)cc2Br)cc1C 2336087004 SYQMSQSTAZOIHF-JOCHJYFZSA-N 476.208 6.829 50 10 JKGE COc1c(Br)cc(C)c([C@@H](Br)C2(OC)CCC2)c1Br 2339674458 LKBLCHPGQSYCDH-CYBMUJFWSA-N 457.000 5.534 50 10 JKGE COc1c(Br)cc(C)c([C@H](Cl)c2ccc(Br)o2)c1Br 2339681869 MPFJAXRLBNWHIR-GFCCVEGCSA-N 473.386 6.212 50 10 JKGE Cc1ccc(OCc2ccc(Cl)cc2I)c(CBr)c1 2340110106 LXVPJCGGAXITKU-UHFFFAOYSA-N 451.529 5.727 50 10 JKGE Fc1cc(Cl)c([C@H](Cl)c2c(Br)sc(Br)c2Cl)c(Cl)c1 2340797817 HZYRNBFTDGWMIK-QMMMGPOBSA-N 487.830 7.701 50 10 JKGE Cc1cccc(CBr)c1OCc1ccc(Cl)cc1I 2341049037 JVSYOEPAUHKZLX-UHFFFAOYSA-N 451.529 5.727 50 10 JKGE Cc1cc(OCc2cc(I)ccc2Br)cc(CBr)n1 2341780836 VQOBGNMSNAPOGV-UHFFFAOYSA-N 496.968 5.231 50 10 JKGE Brc1cc([C@@H](Br)c2cc3c(cc2Br)OCCC3)ns1 2343583051 IVKAHXKYEDRMAG-ZDUSSCGKSA-N 468.008 5.477 50 10 JKGE CCC1CCC([C@H](Br)c2c(C)cc(Br)c(F)c2Br)CC1 2365179826 PYNMBJYPYRYQFB-MGULZYLOSA-N 471.046 7.312 50 10 JKGE Fc1cc(F)c(F)c([C@H](Br)c2ccc(Cl)cc2I)c1F 2365600176 ZDOJLAFGOUIWMR-LLVKDONJSA-N 479.436 5.985 50 10 JKGE Fc1cccc(C[C@@H](CCl)Cc2ccc(I)c(Br)c2)c1 2377328994 IDGDUHYLTFTOAM-CYBMUJFWSA-N 467.547 5.833 50 10 JKGE Cc1ccc(CBr)c(OCc2ccc(F)cc2Br)c1Br 2381135185 NFDQFWRCAOLGSF-UHFFFAOYSA-N 466.970 6.133 50 10 JKGE Cc1cc(Cl)c([C@@H](Br)c2cc(Cl)c(Br)cc2F)c(Cl)c1 2381299091 IDNCGONMHFRNMV-AWEZNQCLSA-N 461.383 7.341 50 10 JKGE N#C/C(=C1\SC=C(c2ccc(-c3ccccc3)cc2)N1c1ccccc1)c1nnc2n1CCCCC2 3185198 MBMIDNAFZIIPDN-URGPHPNLSA-N 487.632 7.116 50 10 JKGE C[C@H](Oc1ccc(-c2ccccc2)cc1)C(=O)NNC(=O)C(c1ccccc1)c1ccccc1 14038589 WFYRPQCMMDOAHU-NRFANRHFSA-N 450.538 5.100 50 10 JKGE N#C/C(=C/c1ccc(OCc2ccccc2)cc1)c1nc(-c2ccc(Br)cc2)cs1 33395434 DYPBWDMEIUMRSL-STZFKDTASA-N 473.395 7.216 50 10 JKGE COc1cc(/C=C(/C#N)C(=O)Nc2ccc(C(C)C)cc2)ccc1OCC(=O)Nc1ccccc1 35519977 GPVQPDBIPSIRGO-JCMHNJIXSA-N 469.541 5.382 50 10 JKGE COc1cccc(N2C(=O)CS[C@H]2c2cccc(NC(=O)[C@H](Cl)c3ccccc3)c2)c1 35927249 JVQDAZGXELNIPF-VWNXMTODSA-N 452.963 5.392 50 10 JKGE CCCOc1ccc(C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@H]3c2cccc3ccccc23)cc1 38657800 IEPMONJEWGXAIJ-NDEPHWFRSA-N 476.532 6.066 50 10 JKGE Cc1ccc(NC(=O)/C(C#N)=C\c2c(Oc3ccccc3Cl)nc3ccccn3c2=O)cc1C 39858675 HIWPHAIYKVVZAX-JXAWBTAJSA-N 470.916 5.303 50 10 JKGE Cc1cccc(NC(=O)/C(C#N)=C\c2c(Oc3ccccc3Cl)nc3c(C)cccn3c2=O)c1 39858682 PRUQBEVTPNSDSL-JXAWBTAJSA-N 470.916 5.303 50 10 JKGE Cc1c(Cl)cccc1Nc1ncnc(NNC(=O)C(c2ccccc2)c2ccccc2)c1N 40701619 CFNWICCNWSCKHB-UHFFFAOYSA-N 458.953 5.039 50 10 JKGE COc1cc(/C=N/NC(=O)[C@H](C)Oc2cc(C)c(Cl)c(C)c2)ccc1OCCc1ccccc1 40960389 QRPHHPBKHJTMLK-CGKHLXHRSA-N 480.992 5.505 50 10 JKGE CC/C(=N\NC(=O)CSc1nnc(CCc2ccccc2)n1-c1ccccc1)c1ccccc1 58990900 GJSRUJCUQDPNLE-ZZIIXHQDSA-N 469.614 5.075 50 10 JKGE C=CCNC(=O)/C(C#N)=C1\S[C@H](Cc2cccc(Cl)c2Cl)C(=O)N1c1ccc(CC)cc1 101241490 BKWVGQPJXUSAQO-RMQQKZCOSA-N 486.424 5.284 50 10 JKGE COc1ccc(Br)cc1[C@@H](Br)c1cc(F)ccc1Br 109834561 VJRWYHNOZIFEST-AWEZNQCLSA-N 452.943 5.844 50 10 JKGE CCn1nc(C)c(Br)c1CC(CBr)(CBr)CC(C)C 118669942 RASWBRSLYRORRL-UHFFFAOYSA-N 459.064 5.339 50 10 JKGE COc1c(C)cc(Br)c(C)c1[C@H](Br)c1cc(F)ccc1Br 125748719 RYMFWIAEGBYCSM-OAHLLOKOSA-N 480.997 6.460 50 10 JKGE Cc1cc(F)ccc1CC(CBr)(CBr)c1cccc(Br)c1 128735528 LLMJPMNVJRSHPM-UHFFFAOYSA-N 479.025 6.167 50 10 JKGE COc1ccsc1[C@@H](Br)c1cc(Br)c(C)cc1Br 128758944 FAFHIRPNCWWUGT-LBPRGKRZSA-N 455.009 6.074 50 10 JKGE COc1ccc([C@H](Cl)c2cc(Br)ccc2Br)c(OC)c1Cl 161125058 QJMITJXSPFMDOC-ZDUSSCGKSA-N 454.973 6.210 50 10 JKGE CO[C@@H]1CCC[C@@H](Oc2c(Br)cc(CBr)cc2Br)C1 234786145 ZAHVXBAXSRIQED-GHMZBOCLSA-N 457.000 5.443 50 10 JKGE Cc1ccccc1C[C@H](Br)c1cc(I)ccc1Br 235766882 KIUCNTWJCPQPOY-HNNXBMFYSA-N 479.981 6.041 50 10 JKGE Fc1cc(Br)c(Cl)cc1[C@@H](Cl)c1cc(Br)sc1Br 236228084 RUFFDPAYYYRSQG-SNVBAGLBSA-N 497.836 7.156 50 10 JKGE COc1ccc(C=NNC(=O)CC23CC4CC(CC(C4)C2)C3)cc1COc1ccc([N+](=O)[O-])c(C)c1 252609494 HSZOBQQDPIXZGK-UHFFFAOYSA-N 491.588 5.547 50 10 JKGE COc1ccc(-c2nc(N)sc2CCC(=O)NN=C(C)c2ccc(C3CCCCC3)cc2)cc1 252627696 RZSJKVIZGBVYAW-UHFFFAOYSA-N 476.646 5.922 50 10 JKGE CCOc1ccc(NC(=O)C(=O)NN=C2CC[C@@H]3[C@@H]4CCc5cc(OC)ccc5[C@@H]4CC[C@]23C)cc1 254303676 MNXVBXWQINRGGF-RTAAPDIRSA-N 489.616 5.061 50 10 JKGE COc1ccc(/C=C/C(=O)Oc2cccc(C=NNC(=O)CNc3cccc4ccccc34)c2)cc1 254843524 YYPARWHQKFTRGN-ZTPYMYAGSA-N 479.536 5.029 50 10 JKGE Fc1ccc([C@H](Br)c2cc3c(cc2Br)OCC3)c(Br)c1 308421167 WXIMRHRMWBFBOW-HNNXBMFYSA-N 464.954 5.770 50 10 JKGE CN(CCCn1c(CCCl)nc2cc(I)c(F)cc21)Cc1ccccc1 311251515 MYTYMPCZOVMDIB-UHFFFAOYSA-N 485.772 5.083 50 10 JKGE COc1cc(CBr)cc(Br)c1OCc1ncccc1Br 312774279 YCTUICWRQSJWOW-UHFFFAOYSA-N 465.967 5.089 50 10 JKGE C[C@@H]1C[C@@H](n2c(CCl)nc3cc(I)ccc32)CCN1Cc1ccccc1 379586162 ISYFHRWFJUWWCR-QAPCUYQASA-N 479.793 5.605 50 10 JKGE Cc1cc([C@@H](Br)c2cc(Br)ccc2I)c(C)cc1F 386415725 KOVZXMVDZIOUKT-OAHLLOKOSA-N 497.971 6.294 50 10 JKGE Clc1ccc([C@H](Cl)c2cc(Cl)c(Cl)c(Cl)c2Cl)cc1Br 404896605 YZQQYHAMDZNRFR-JTQLQIEISA-N 453.805 8.044 50 10 JKGE CC(C)(C)[Si](C)(C)OCCc1cccc([C@@H]2CCN(CCO[Si](C)(C)C(C)(C)C)CCO2)c1 616594499 PTEOASDUNAABGG-VWLOTQADSA-N 493.881 7.036 50 10 JKGE C[C@@H]1[C@@H](Br)C[C@H]2CC[C@H]1N2C(=O)c1scc(Br)c1Br 686176286 SQACWAWXOFFJQQ-BDNRQGISSA-N 472.040 5.050 50 10 JKGE COCc1csc([C@H](Br)c2scc(C(F)(F)F)c2Br)c1 690013903 IWMWLVWDABFKHW-JTQLQIEISA-N 450.139 6.222 50 10 JKGE Cc1ccc([C@H](Br)c2cc(Br)ccc2F)c(C)c1Br 719540526 VYOWYCDUOQHBJO-HNNXBMFYSA-N 450.971 6.452 50 10 JKGE C[C@H](O[C@](C)(CI)c1ccccc1Br)C1CCCCC1 719735853 MCZYCANMEMAVLE-SUMWQHHRSA-N 451.186 6.085 50 10 JKGE O=C(NN=C(CSc1nc2ccccc2s1)c1ccc([N+](=O)[O-])cc1)c1cccc([N+](=O)[O-])c1 1084010394 YOUOWSYAMRQDRQ-UHFFFAOYSA-N 493.526 5.039 50 10 JKGE N#C/C(=C\c1cc(Br)c(Sc2ccc(Cl)cc2)o1)c1ccc(Cl)cc1Cl 1084156972 ZBNQRWABJBVSMS-YRNVUSSQSA-N 485.617 8.218 50 10 JKGE O=C(NN=Cc1cc(Cl)c(OCc2ccc(Cl)cc2)c(Cl)c1)c1cc2ccccc2o1 1084370074 QYTVRCODCFTMJQ-UHFFFAOYSA-N 473.743 6.736 50 10 JKGE Cc1cccc(C(=O)Nc2nnc(CC(=O)NN=Cc3c4ccccc4cc4ccccc34)s2)c1 1084640023 XCRFVUBDYJWXCQ-UHFFFAOYSA-N 479.565 5.098 50 10 JKGE Cc1c(C(=O)N2CCc3ccccc3C2)oc2c1C(=NNC(=O)c1cccc3ccccc13)CCC2 1772746905 BIUUJOQIHZJZEY-UHFFFAOYSA-N 477.564 5.410 50 10 JKGE COc1ccc(C=NNC(=O)COc2cc(C)c(Br)cc2C(C)C)cc1Br 1772754013 ICSDEAMFDOQVGO-UHFFFAOYSA-N 498.215 5.181 50 10 JKGE CC(C)[C@H]1CC[C@@H](C)C[C@H]1OC(=O)[C@@H](C)Oc1cccnc1NC(=O)Oc1ccc([N+](=O)[O-])cc1 1858695115 MFYQUDMGWDVCJX-ZFNVSSEQSA-N 485.537 5.372 50 10 JKGE CCc1nn(Cc2cc(C)ccc2C)c2c1[C@H](c1c(Cl)cccc1Cl)C(C#N)=C(N)O2 1865686498 WMJWHSVAAPDAHN-FQEVSTJZSA-N 453.373 5.636 50 10 JKGE CCCCOc1ccc([C@H]2C(C#N)=C(N)Oc3c2c(CCC)nn3CC(C)C)cc1OCC 1865686929 FISSOULRPIGORQ-QHCPKHFHSA-N 452.599 5.287 50 10 JKGE CCOc1ccc([C@H]2C(C#N)=C(N)Oc3c2c(-c2ccccc2)nn3CC(C)C)cc1OCC 1865689989 YIMVXGXMSIMEBG-QHCPKHFHSA-N 458.562 5.222 50 10 JKGE CCCCOc1ccc([C@@H]2C(C#N)=C(N)Oc3c2c(C)nn3-c2cccc(Cl)c2)cc1OC 1865697478 UKBNNDPBKLTNRX-HSZRJFAPSA-N 464.953 5.240 50 10 JKGE COc1ccc(-c2nn(Cc3ccc(F)cc3)c3c2[C@H](c2cccs2)C(C#N)=C(N)O3)cc1 1865698586 YAHQWQDLDGYTCF-NRFANRHFSA-N 458.518 5.026 50 10 JKGE Cc1ccc(C)c(Cn2nc(C(F)(F)F)c3c2OC(N)=C(C#N)[C@@H]3c2ccc(F)cc2F)c1 1865702319 SJLGRZXEOZKSNM-SFHVURJKSA-N 460.406 5.063 50 10 JKGE CCc1cccc(OC2CCN(c3cc(Nc4ccc(SC#N)cc4)nc(C(C)(C)C)n3)CC2)c1 1868342045 IQGNKGJUYXRPFG-UHFFFAOYSA-N 487.673 6.701 50 10 JKGE CCOC(=O)c1ccc(Oc2coc3cc(OCc4ccc(CCl)cc4)ccc3c2=O)cc1 1871437863 FOCXEFKEOVFTQR-UHFFFAOYSA-N 464.901 6.080 50 10 JKGE CS(=O)(=O)Nc1ccc(/C(O)=C(\C#N)c2nc(-c3ccc(-c4ccccc4)cc3)cs2)cc1 1872744251 ZYVLJGSBRFVRJN-GYHWCHFESA-N 473.579 5.798 50 10 JKGE Cc1ccc(C)c(OC/C(O)=C(\C#N)c2nc(-c3cccc(Br)c3)cs2)c1C 1872746135 UFMNUYOSPAMVEI-ZZEZOPTASA-N 455.377 6.370 50 10 JKGE N#C/C(=C(/O)c1ccc(N2CCCC2)c([N+](=O)[O-])c1)c1nc(-c2ccc([N+](=O)[O-])cc2)cs1 1872746829 ABXVONUFIAUCPD-FXBPSFAMSA-N 463.475 5.177 50 10 JKGE CCOc1ccc(-c2csc(/C(C#N)=C(\O)[C@H]3CC(=O)N(c4c(CC)cccc4CC)C3)n2)cc1 1872747918 ZBCAEELSIMBEHH-GYSBHSFWSA-N 487.625 6.179 50 10 JKGE CSCC[C@H](/C(O)=C(\C#N)c1nc(-c2ccc(F)cc2)cs1)N1C(=O)c2ccccc2C1=O 1872753043 FKDMZNKUDMXLSC-HWCXCKHPSA-N 479.558 5.160 50 10 JKGE N#C/C(=C(/O)[C@H]1CC(=O)N(Cc2ccccc2)C1)c1nc(-c2ccc3ccccc3c2)cs1 1873940913 NANSNBOPIPNPAR-NFLAHJKKSA-N 451.551 5.805 50 10 JKGE Brc1cc([C@H](Br)c2cc(Br)sc2Br)ns1 1909866065 ZLQJETCAMGEKQQ-SSDOTTSWSA-N 496.869 5.976 50 10 JKGE Cc1nsc(Br)c1[C@@H](Br)c1scc(C(F)(F)F)c1Br 1912974425 HJDRFUCVCCKGKM-SSDOTTSWSA-N 499.997 6.541 50 10 JKGE COc1cc(F)c(Br)cc1[C@H](Br)c1c(C)nsc1Br 1912976464 UGFYKVCAEIHIKN-NSHDSACASA-N 473.987 5.609 50 10 JKGE CSc1ccc([C@H](Br)c2sc(Br)cc2Br)cc1 1922935236 NTTXYBLFRSWWPM-NSHDSACASA-N 457.050 6.479 50 10 JKGE C[C@H](C[C@@H](Br)c1c(Br)sc(Br)c1Cl)CC(C)(C)C 1923054417 FHVCVTHSVQSZEJ-HTQZYQBOSA-N 481.519 7.825 50 10 JKGE CC1(C)C[C@H]1C[C@@H](Br)c1c(Br)sc(Br)c1Br 1924616630 RCUQFYNPBAEWEC-PHDIDXHHSA-N 495.900 6.908 50 10 JKGE Fc1ccc([C@@H](Cl)c2c(Cl)sc(Cl)c2Cl)c(I)c1 1925586823 DGVPFTQJWUIMND-MRVPVSSYSA-N 455.934 6.780 50 10 JKGE Brc1ccsc1[C@@H](Br)Cc1ccccc1I 1935652848 CNFPHNDYVWMPOE-JTQLQIEISA-N 471.983 5.794 50 10 JKGE FC1(F)CC(C[C@@H](Br)c2c(Br)sc(Br)c2Cl)C1 2014279727 XZHTWQCDNVCSGQ-RXMQYKEDSA-N 473.402 6.798 50 10 JKGE CC(C)(CC(F)F)[C@H](Cl)c1c(Br)sc(Br)c1Br 2015996365 CTQRIZYMJPPFNJ-SSDOTTSWSA-N 475.418 6.997 50 10 JKGE CC[C@@H](C)[C@@H](CI)NCc1c(Br)cccc1Br 2023044520 RONLVMIFLZLYFR-NOZJJQNGSA-N 475.006 5.151 50 10 JKGE CCc1sc(Br)cc1[C@@H](Br)c1ccc(C)cc1Br 2030224005 WTAXGBIJEOJILJ-AWEZNQCLSA-N 453.037 6.628 50 10 JKGE O=C(N[C@@H]1CCCCC[C@H]1Br)c1csc(Br)c1Br 2032953066 BSMBGDAVFPMIIH-RKDXNWHRSA-N 460.029 5.099 50 10 JKGE FC1(F)C[C@]12CC[C@H]([C@@H](Br)c1cc(Br)c(Br)s1)C2 2038548698 JCTNWIULNDUQRV-PTHKFVFGSA-N 464.995 6.535 50 10 JKGE Cc1c(Cl)cc([C@@H](Br)c2cc(Cl)c(Br)s2)cc1Br 2048502698 BPJYNJBADAWBOB-LLVKDONJSA-N 493.873 7.373 50 10 JKGE C[C@]1([C@H](Br)c2c(Br)sc(Br)c2Cl)CCCC1(F)F 2048965956 CBLHZEPAAIHQMR-GMSGAONNSA-N 487.429 7.188 50 10 JKGE CCc1nn(C)c([C@@H](Br)c2sc(Cl)cc2Br)c1Br 2072304380 KPVMAOQEBPWIPP-SECBINFHSA-N 477.447 5.707 50 10 JKGE COc1cc(C)c([C@H](Br)c2cc(Br)cs2)cc1Br 2078001602 PGMLPZUBONPHCF-ZDUSSCGKSA-N 455.009 6.074 50 10 JKGE Cc1c(Br)ccc([C@@H](Cl)c2cccc(Br)c2)c1Br 2083316995 BJSZGXVQWOMHPW-AWEZNQCLSA-N 453.399 6.611 50 10 JKGE COc1csc([C@H](Br)c2ccc(Br)c(C)c2Br)c1 2083338412 MWUWOTGROXJLOD-CYBMUJFWSA-N 455.009 6.074 50 10 JKGE Cc1cc([C@@H](Br)c2cccc(Br)c2Br)c(C)cc1F 2092335674 PMDRPNRPUQUHOM-AWEZNQCLSA-N 450.971 6.452 50 10 JKGE CCC(CC)[C@@H](Br)CNC(=O)c1c(Br)cccc1Br 2094088589 MWIQDQHQBDHVBV-LBPRGKRZSA-N 456.016 5.141 50 10 JKGE Brc1cccc(Br)c1CN1CC[C@@H]2C[C@H](Br)CC[C@H]21 2094090928 MRSNHNXURAKDNS-UEKVPHQBSA-N 452.028 5.350 50 10 JKGE BrCc1cc(Br)c(OC[C@H]2CCCCCO2)c(Br)c1 2096332771 JJLNIHPBJRUINO-LLVKDONJSA-N 457.000 5.445 50 10 JKGE Clc1cc([C@@H](Br)Cc2c(Cl)cccc2Cl)ccc1I 2104781946 LCPPQLSFSPJMED-JTQLQIEISA-N 490.393 6.930 50 10 JKGE BrCc1cc(Br)c(OC2[C@@H]3CCCCC[C@@H]23)c(Br)c1 2111902814 LPNCJBYLIYZSCG-GHMZBOCLSA-N 453.012 6.064 50 10 JKGE CC[C@H](Br)[C@H]1CCCCN1Cc1cccc(Br)c1Br 2114190841 WVAIECUXXPRKMZ-GXTWGEPZSA-N 454.044 5.740 50 10 JKGE Clc1c(Br)sc(Br)c1[C@H](Br)[C@H]1CCCCC12CCC2 2117006486 FDQKABQVNLVEFI-PSASIEDQSA-N 491.514 7.723 50 10 JKGE CN(Cc1c(Br)cccc1Br)[C@H](CCBr)C(F)(F)F 2122000460 HYHDGYRZTMDFDM-LLVKDONJSA-N 467.949 5.359 50 10 JKGE Clc1ccc(I)c(CN2[C@H]3CC[C@@H]2C[C@@H](CBr)C3)c1 2128151226 DLBDRSXGJWDBEF-OJNYZHBWSA-N 454.577 5.083 50 10 JKGE BrCc1cc(Br)cc(Br)c1OC[C@@H]1C[C@H]1C1CCC1 2135249833 XRAMUJNRJVBIPG-AAEUAGOBSA-N 453.012 5.922 50 10 JKGE Cc1cc(F)c(Cl)cc1[C@H](Br)c1ccc(Br)cc1Br 2137068980 FAIATVDWRXPKDM-CQSZACIVSA-N 471.389 6.797 50 10 JKGE COc1ccc(F)cc1[C@H](Cl)c1ccc(Br)cc1I 2142289134 XFSCGBZQVIPMAK-CQSZACIVSA-N 455.492 5.530 50 10 JKGE BrCc1cc(Br)cc(Br)c1OCCOC1CCSCC1 2144860752 WPBNQKPQLPGFEL-UHFFFAOYSA-N 489.067 5.398 50 10 JKGE COc1cc(CBr)ccc1OCc1cccc(Br)c1Br 2148749097 GKVOBXIIIZUAAV-UHFFFAOYSA-N 464.979 5.694 50 10 JKGE Cc1c(Br)c(COc2c(Br)cc(Cl)cc2CBr)nn1C 2150236023 WNIOAJGPJQWVNE-UHFFFAOYSA-N 487.417 5.381 50 10 JKGE C[C@@H]1CCO[C@H]1CCC(CBr)(CBr)c1ccccc1Br 2157326959 QUQLYPBUIIWIOL-DOMZBBRYSA-N 469.055 5.682 50 10 JKGE C[C@@H]1CCC[C@]12[C@H](Cl)C[C@H]2Oc1c(Br)cc(Br)cc1Br 2173617953 FXBJNSXGFIDIAA-AXTGTSHSSA-N 487.457 6.539 50 10 JKGE C[C@@H]1CC[C@H](C(C)(C)Cc2cc(Br)ccc2Br)[C@H](Br)C1 2175145359 TUOMHRWPTWBOEM-DIOULYMOSA-N 467.083 6.980 50 10 JKGE Cc1cc(Br)c(C)c([C@H](Cl)c2cccc(Br)c2C)c1Br 2201074696 AVOZGTMOBCASPO-MRXNPFEDSA-N 481.453 7.228 50 10 JKGE CC(C)Oc1cccc([C@H](Br)c2ccc(Br)cc2Br)c1 2203687792 RFUUAQMKYOLRMY-INIZCTEOSA-N 463.007 6.483 50 10 JKGE Clc1cc(C[C@@H]2CCc3ccccc3[C@H]2Br)ccc1I 2208047381 YMXRRNLCNYKKPH-GUYCJALGSA-N 461.568 6.186 50 10 JKGE C[C@]1([C@@H](Br)c2c(Br)cc(Cl)c(Cl)c2Cl)CCCCO1 2224309430 BHZNJNMCMXRCTN-QWHCGFSZSA-N 451.413 6.805 50 10 JKGE Cn1c([C@@H](Br)c2c(Br)cc(Cl)c(Cl)c2Cl)cnc1Cl 2224310058 FLYOLOXEJKLXTK-MRVPVSSYSA-N 467.803 6.281 50 10 JKGE Fc1ccc([C@@H](Cl)c2cc(Br)c(Br)cc2F)c(Br)c1 2225633430 JUTAJJZOSVLGGV-CYBMUJFWSA-N 475.352 6.581 50 10 JKGE CCCC[C@@H](CC)[C@H](Br)c1c(Br)cc(C)c(Br)c1C 2227348376 NGBMSPPEWYMMRN-WBMJQRKESA-N 455.072 7.481 50 10 JKGE Clc1cc(Cl)cc(C[C@@H](Br)c2cc(Cl)ccc2I)c1 2232147181 YLFFBSDVBXKBEM-CYBMUJFWSA-N 490.393 6.930 50 10 JKGE FC1(F)[C@H]2CCC[C@H]1CC([C@H](Br)c1cc(Br)sc1Br)C2 2233642193 KSVQYWJUJYWMDM-AUTRQRHGSA-N 493.049 7.171 50 10 JKGE COc1cc(Br)ccc1[C@@H](Cl)c1cc(Br)c(Br)cc1F 2233968816 DNNZNUVXVXUWCS-CQSZACIVSA-N 487.388 6.450 50 10 JKGE Cc1cc2sc([C@@H](Cl)c3cc(Br)c(Br)cc3F)cc2s1 2233976969 RNPNGVQLYFCOKC-AWEZNQCLSA-N 454.611 7.264 50 10 JKGE O=C(Nc1ccc(OC[C@@H]2C[C@H]2Cl)cc1C(=O)O)OCC1c2ccccc2-c2ccccc21 2243589985 XOXGYOKBLWENBI-NPMXOYFQSA-N 463.917 5.752 50 10 JKGE C[C@H](CCl)N(Cc1ccccc1)C(=O)Cc1cc(Br)cc(Br)c1 2245970028 ZDSHUUPSPINZDD-CYBMUJFWSA-N 459.609 5.410 50 10 JKGE COC1([C@@H](Br)c2c(Br)sc(Br)c2Cl)CC(CF)C1 2255036710 BGYGCBKEJWHSCZ-QHCBANEHSA-N 485.438 6.127 50 10 JKGE COc1sc([C@H](Cl)c2c(F)cccc2I)cc1Br 2255902093 PGMQXIGQYIDCCL-NSHDSACASA-N 461.521 5.591 50 10 JKGE Cc1cc(F)c(Br)cc1C(=O)N(Cc1ccccc1)C1(CBr)CCC1 2258084660 PJDPWHWNZUMZFV-UHFFFAOYSA-N 469.192 5.857 50 10 JKGE Fc1ccccc1[C@@H](Br)c1c(F)cc(Br)c(F)c1Br 2272728081 WLYSWQNUEOJHKC-LLVKDONJSA-N 458.897 6.113 50 10 JKGE CCC1(C)CC([C@@H](Br)c2c(F)cc(Br)c(F)c2Br)C1 2272734362 MEXQLADRGHKJAX-MIJJTYSQSA-N 460.982 6.752 50 10 JKGE Fc1cc(Br)c(F)c(Br)c1[C@H](Br)[C@@H]1[C@H]2CCCO[C@H]21 2272844116 VAHBUBKILNFZES-FCKPFGHYSA-N 460.938 5.351 50 10 JKGE C[C@@H]1Cc2cc([C@@H](Cl)c3scc(Br)c3Cl)cc(Br)c2O1 2279286113 BXNKPYCQUPBVCH-KSBSHMNSSA-N 457.014 6.578 50 10 JKGE COc1cc(C)c(Br)c(C)c1[C@H](Br)c1cccc(OCc2ccccc2)c1 2285074600 KTGFQEFHRINETI-HSZRJFAPSA-N 490.235 7.138 50 10 JKGE Cc1ccc(N2C(=O)[C@@H](Cc3cccc(C)c3)SC2=C(C#N)C(=O)NCCc2ccccc2)cc1 2293038679 TWRANUWTXFANDP-AREMUKBSSA-N 481.621 5.089 50 10 JKGE CCOc1cc(C=C(C#N)C(=O)Nc2ccccc2)cc(Cl)c1OC(=O)c1ccc(OC)cc1 2293571172 LJITYVOIRQGPHG-UHFFFAOYSA-N 476.916 5.512 50 10 JKGE CC(C=CC=C(C)C=CC1=C(C)[C@H](OC(=O)C=CCCCCCCCO)CCC1(C)C)=CC=O 2294818755 SWZYVFQHDUIVRB-MUUNZHRXSA-N 468.678 7.128 50 10 JKGE Fc1cc(Cl)c(Br)cc1[C@H](Br)c1ccc(C(F)(F)F)s1 2295054685 OHXYGEBHYFEOFR-NSHDSACASA-N 452.492 6.806 50 10 JKGE O=C(Cc1cc(Br)cc(Br)c1)Nc1ccccc1CBr 2295307791 PBZLHWSOAVONCU-UHFFFAOYSA-N 461.979 5.288 50 10 JKGE COc1cc(C=C(C#N)C(=O)Nc2cccc(C(F)(F)F)c2)ccc1OCc1ccc([N+](=O)[O-])cc1 2297506226 GOAOPZJWHHITKR-UHFFFAOYSA-N 497.429 5.747 50 10 JKGE N#CC(=CNc1ccc(Br)cc1)c1nc(-c2ccc(Cl)cc2Cl)cs1 2297624352 ZGMMKEGTLKHBCO-UHFFFAOYSA-N 451.176 6.856 50 10 JKGE CC1(C)CC(C)([C@@H](Br)c2ccc(OCc3ccccc3)cc2Br)C1 2299534456 DIGPIEQKZWBRHX-IBGZPJMESA-N 452.230 7.290 50 10 JKGE COC1CC(C[C@@H](Br)c2cc(Br)ccc2OCc2ccccc2)C1 2299536342 YSWPNCAZQUPUMD-GXOAENINSA-N 454.202 6.279 50 10 JKGE CC1(C)COC[C@@H]1[C@H](Br)c1cc(Br)ccc1OCc1ccccc1 2299627270 PCISTAQMUBWZBD-IEBWSBKVSA-N 454.202 6.137 50 10 JKGE FC(F)(F)[C@@H]1CC[C@@H]1[C@@H](Br)c1sc(Cl)cc1I 2300950167 WYYFHFVLRPTPEQ-CPDSJTNBSA-N 459.496 6.031 50 10 JKGE Fc1cc([C@H](Br)c2sc(Cl)cc2I)ccc1Cl 2300953171 GFXNZQZDJYJZIP-JTQLQIEISA-N 465.940 6.283 50 10 JKGE COc1cc(Br)c(OCC(C)(C)CI)cc1Br 2306836821 IMPIBCHJJUFUMM-UHFFFAOYSA-N 477.962 5.060 50 10 JKGE N#CC(=Cc1cc(Br)c(Sc2ccc(Cl)cc2)o1)c1cccc(Cl)c1 2313543605 TXTTUWLESDIEKM-UHFFFAOYSA-N 451.172 7.564 50 10 JKGE C=CCc1cc(C=C(C#N)C(=O)Nc2ccc(C)cc2)cc(OC)c1OCc1cccc2ccccc12 2313567209 DFIDDNFABHQMGK-UHFFFAOYSA-N 488.587 7.010 50 10 JKGE COc1ccc(NC(=O)C(C#N)=Cc2ccc(OCc3ccc(Cl)cc3Cl)c(OC)c2)cc1 2313667326 KVDXLQJQRGWLMV-UHFFFAOYSA-N 483.351 6.135 50 10 JKGE CCOc1cc(C=C(C#N)C(=O)Nc2cccc3ccccc23)ccc1OC(=O)c1ccc(C)cc1 2313730193 CLFVZGVSUBUPGF-UHFFFAOYSA-N 476.532 6.312 50 10 JKGE Clc1cccc(Cl)c1[C@@H](Cl)c1ccc(OCc2ccccc2)cc1Br 2314453408 WJDKFRKXZDHSQW-FQEVSTJZSA-N 456.594 7.663 50 10 JKGE CCc1occ(C)c1[C@@H](Br)c1cc(Br)ccc1OCc1ccccc1 2314453917 AGRYNVRLJVEGJT-NRFANRHFSA-N 464.197 6.976 50 10 JKGE Brc1ccc(OCc2ccccc2)c([C@H](Br)[C@@H]2CC3(CCC3)CO2)c1 2314458035 APIHPNWAKWFJSH-PMACEKPBSA-N 466.213 6.423 50 10 JKGE Cc1cccc([C@H](Br)c2ccc(OCc3ccccc3)cc2Br)c1F 2314500383 MXJFRTAYNOEIHV-HXUWFJFHSA-N 464.172 6.960 50 10 JKGE CCOC(=O)c1c(NC(=O)C(C#N)=Cc2ccc(OCC)c(OC)c2)sc2c1[C@@H](C)CCC2 2314754010 IMEDMCCTDGACAC-HNNXBMFYSA-N 468.575 5.318 50 10 JKGE CCOC(=O)c1c(NC(=O)c2nc(C)sc2-c2ccccc2)sc(C(C)=CC#N)c1C 2314915838 FWMZJWYDXRHXDV-UHFFFAOYSA-N 451.573 5.844 50 10 JKGE CCN(C[C@@](C)(CI)OC[C@@H]1CC[C@H]1C(C)(C)C)C(=O)OC(C)(C)C 2320189602 OMOKRZDENVMCRG-RZQQEMMASA-N 467.432 5.526 50 10 JKGE COc1cc(C=C(C#N)c2ccccc2)ccc1OC(=O)CCCOc1ccc(Cl)cc1Cl 2320506442 JRIDDJGZSHVLNW-UHFFFAOYSA-N 482.363 6.831 50 10 JKGE CCOc1cc(C(=O)Oc2cccc(C=C(C#N)c3ccccc3F)c2)cc(OCC)c1OCC 2320511388 SGSFDISYRSGKCB-UHFFFAOYSA-N 475.516 6.305 50 10 JKGE CCOc1cc(C=NNC(=O)[C@H]2CCCN(C(=O)OC(C)(C)C)C2)ccc1OCc1ccc(C)cc1 2321721624 WAQJLKHPIAPSSF-QHCPKHFHSA-N 495.620 5.070 50 10 JKGE C[C@H]1CC[C@H](CBr)N(Cc2ccc(I)c(Br)c2)C1 2325223437 XUPUERATPWFUQS-CMPLNLGQSA-N 487.017 5.049 50 10 JKGE Cc1cc(I)ccc1NC(=O)C(C#N)=CN[C@@H](C)C12CC3CC(CC(C3)C1)C2 2325406090 WDVXJPZHICQHDU-SCUMNGBJSA-N 489.401 5.140 50 10 JKGE COc1cccc(C=C(C#N)c2nc3ccccc3[nH]2)c1OCc1c(Cl)cccc1Cl 2331020432 ICNTZYYUOVDWIC-UHFFFAOYSA-N 450.325 6.521 50 10 JKGE CC(C)OC(=O)c1ccc(C(C#N)=Cc2ccccc2OCc2ccc(Cl)c(Cl)c2)o1 2331049719 LDVQMIHPIPNUFM-UHFFFAOYSA-N 456.325 6.795 50 10 JKGE COc1ccc(C=C(C#N)c2ncccc2[N+](=O)[O-])cc1OCc1ccc(Cl)c(Cl)c1 2331059435 AJFZIERDRWGJFP-UHFFFAOYSA-N 456.285 5.948 50 10 JKGE CC(C)COc1ccc(C(O)=C(C#N)c2nc(-c3ccc(-c4ccccc4)cc3)cs2)cc1 2331232027 JDTIOHTUPPBZFB-UHFFFAOYSA-N 452.579 7.462 50 10 JKGE Cc1ccc(OCC(O)=C(C#N)c2nc(-c3ccc(Cl)cc3Cl)cs2)c(C(C)(C)C)c1 2331251315 PSOHTJQZCAPWLJ-UHFFFAOYSA-N 473.425 7.595 50 10 JKGE COc1cc(C=CC(O)=C(C#N)c2nc(-c3cccc(Cl)c3)cs2)ccc1OC(C)=O 2331294176 ZEFVLPLLRJEKSV-UHFFFAOYSA-N 452.919 5.903 50 10 JKGE CCOc1ccc(-c2csc(C(C#N)=C(O)[C@H](CC(C)C)N3C(=O)c4ccccc4C3=O)n2)cc1 2331305301 NWHWCPPFRHQQRW-QHCPKHFHSA-N 487.581 5.712 50 10 JKGE COc1ccc(-c2csc(C(C#N)=C(O)CCCOc3ccc4ccccc4c3)n2)cc1F 2331336145 PYADUPALYCMYHS-UHFFFAOYSA-N 460.530 6.763 50 10 JKGE CC(C)COc1ccc(C(O)=C(C#N)c2nc(-c3ccc(Oc4ccccc4)cc3)cs2)cc1 2331358998 ODHLXJRULPPWGH-UHFFFAOYSA-N 468.578 7.587 50 10 JKGE Cc1cc(C)c(-c2csc(C(C#N)=C(O)CNC(=O)c3ccc(C(C)(C)C)cc3)n2)c(C)c1 2331393223 YPYATLALUPHULN-UHFFFAOYSA-N 459.615 6.256 50 10 JKGE N#CC(=C(O)c1ccc(Cl)cc1[N+](=O)[O-])c1nc(-c2cc(Cl)ccc2Cl)cs1 2331405338 HSIZKCXLTLABHB-UHFFFAOYSA-N 452.706 6.628 50 10 JKGE COc1cc(C=C(C#N)c2nc(-c3c[nH]c4ccccc34)cs2)ccc1OCCCc1ccccc1 2331460116 NCTXDEMIXACDAF-UHFFFAOYSA-N 491.616 7.376 50 10 JKGE Cc1cc(Br)c(C)c([C@@H](Br)[C@H]2C[C@@H]3CC[C@H]2O3)c1Br 2332925874 SPFBUWXGXWFFGJ-JOXOIDLHSA-N 453.012 5.832 50 10 JKGE Fc1cc(Br)c(F)c(Br)c1[C@H](Br)[C@@H]1C[C@@H]2CC[C@H]1O2 2334719054 BJMYIYRNQKQWIU-WQRVWIMNSA-N 460.938 5.493 50 10 JKGE Cn1cc([C@H](Br)c2c(F)cc(Cl)c(Br)c2Cl)nc1Br 2335372985 BNHGZGPWNJSWAU-VIFPVBQESA-N 495.799 5.875 50 10 JKGE Fc1c(Cl)cccc1C[C@H](Cl)c1ccc(OCc2ccccc2)cc1Br 2336040540 GPFHXLNALLVGTN-FQEVSTJZSA-N 454.166 7.343 50 10 JKGE COc1cccc([C@H](Br)c2ccc(OCc3ccccc3)cc2Br)c1C 2336083417 JYNMVKSQDASTKQ-QFIPXVFZSA-N 476.208 6.829 50 10 JKGE CC[C@@](C)(C(F)F)[C@H](Br)c1c(F)cc(Br)c(F)c1Br 2336600453 PEQBRGIPHUKRPF-ZYHUDNBSSA-N 470.924 6.607 50 10 JKGE CCCc1sc(Br)cc1[C@H](Br)c1ccc(Br)cc1F 2338021564 QTYCHPHWXZGORD-CQSZACIVSA-N 471.027 6.849 50 10 JKGE CCOc1cc(CBr)ccc1OCc1sccc1I 2338751952 IDRGQECJQFSNJP-UHFFFAOYSA-N 453.139 5.225 50 10 JKGE ClC1C[C@@H]2CCC[C@H](C1)N2Cc1ccc(I)c(Br)c1 2349859721 TVMDPVQCCINTSX-YHWZYXNKSA-N 454.577 5.178 50 10 JKGE Cc1cc(CCl)cc(OCc2ccc(I)c(Br)c2)n1 2350073763 UAPMPAYIMONJDC-UHFFFAOYSA-N 452.517 5.075 50 10 JKGE Cc1cc(Br)c([C@@H](Br)[C@@H]2CC[C@H]2C(F)(F)F)c(C)c1Br 2358674202 VPNVXOATGOJUQB-KKFJDGPESA-N 478.972 6.853 50 10 JKGE Fc1c(Br)cc(Cl)c([C@@H](Br)C[C@@H]2CCCC2(F)F)c1Br 2362222384 BJWYJNUYRMFTCA-BQBZGAKWSA-N 499.390 7.266 50 10 JKGE CCCc1sc(Br)cc1[C@H](Br)Cc1cc(Cl)cc(Cl)c1 2363255373 BTXGTHJPZPQCEP-CYBMUJFWSA-N 457.058 7.449 50 10 JKGE Cc1c(F)ccc([C@H](Br)c2cc(Br)c(Br)cc2F)c1Cl 2363893658 JEEPEZWNDDOUNH-ZDUSSCGKSA-N 489.379 6.936 50 10 JKGE Cn1nc(Br)c(Br)c1[C@@H](Br)c1ccc(C(C)(C)C)cc1 2364228137 IZZACDYAYFSXAN-NSHDSACASA-N 465.027 5.727 50 10 JKGE COc1cc(F)c(Br)cc1[C@@H](Cl)c1c(Br)c(Br)nn1C 2364234099 HWTSEYKJVNUXTB-SNVBAGLBSA-N 491.380 5.184 50 10 JKGE CCC[C@H](CC(C)C)[C@H](Br)c1c(C)cc(Br)c(F)c1Br 2365184793 GEQAMSOFTKQKRL-RISCZKNCSA-N 473.062 7.558 50 10 JKGE Oc1nc2ccc([C@@H](Br)c3ccc(Cl)cc3I)cc2[nH]1 2365593479 UIHVEMYHDGIBOC-CYBMUJFWSA-N 463.500 5.011 50 10 JKGE COc1c(CBr)cccc1OCc1cccc(Br)c1Br 2367241752 WDOCENSUENXUOL-UHFFFAOYSA-N 464.979 5.694 50 10 JKGE FC1(F)CN(Cc2ccccc2)CCCCN(c2ccnc(Cl)c2CBr)C1 2370841305 WDFXXJUJQGOKJT-UHFFFAOYSA-N 458.778 5.368 50 10 JKGE CCOc1cc(/C=N/NC(=O)[C@@H]2C[C@@H]2c2ccc(C(C)(C)C)cc2)ccc1OCc1ccccc1 6600633 QVNJRUHQCIVISJ-HBNFPQJCSA-N 470.613 6.216 50 10 JKGE COc1cc(OC)cc(C(=O)NN=Cc2ccc(OC)c(COc3ccc4ccccc4c3)c2)c1 8456167 XPAZFJFLFHMOJV-UHFFFAOYSA-N 470.525 5.209 50 10 JKGE N#C/C(C(=O)N1CCCCC1)=C1\S[C@@H](Cc2cccc(Cl)c2Cl)C(=O)N1c1ccccc1 13563871 UIZJAQUIKXFPMS-AYBPGSHHSA-N 486.424 5.432 50 10 JKGE C/C(NNC(=O)C(c1ccccc1)c1ccccc1)=C1\C(=O)N(c2ccccc2)N=C1c1ccccc1 20288045 JQRFVZZJQPWTQP-HPNDGRJYSA-N 486.575 5.164 50 10 JKGE COc1ccc(/C=N/NC(=O)COc2ccc(Cl)cc2Cl)cc1CSc1ccccn1 27500437 RIFCADSMAZHGPL-RPPGKUMJSA-N 476.385 5.218 50 10 JKGE COc1cc(/C=C(/C#N)c2ccc(Cl)cc2)ccc1OC(=O)/C=C/c1ccc([N+](=O)[O-])cc1 31902188 QKPVEFSVWQAHSR-QUHNBJMYSA-N 460.873 5.940 50 10 JKGE CCCCOc1ccc(C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@H]3c2ccc(C(C)(C)C)cc2)cc1 38649780 IIRMZEYOONFULW-NDEPHWFRSA-N 496.607 6.600 50 10 JKGE CCOc1cccc(C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@H]3c2ccc(C(C)(C)C)cc2)c1 38649835 QFUWVGKYLHLVPR-SANMLTNESA-N 468.553 5.820 50 10 JKGE CCCCCOc1cccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4ccccc4)ccc32)c1 38684753 BZYILZKJMZWKFS-SANMLTNESA-N 454.526 5.693 50 10 JKGE CCOc1ccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)[C@@H](C)Oc4ccc(CC)cc4)ccc32)cc1 38685923 LFNHPKNAULDJNJ-DNOBIOAJSA-N 484.552 5.239 50 10 JKGE Cc1c(C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@H]3c2ccco2)oc2ccc(Br)cc12 38688508 AJUAHMCELRYYOL-NRFANRHFSA-N 491.297 5.534 50 10 JKGE Cc1c(C(=O)Nc2ccccc2C(F)(F)F)oc2c1/C(=N/NC(=O)c1cccc(Cl)c1)CCC2 40813302 NIPSFROXQQTROC-UXHLAJHPSA-N 489.881 5.983 50 10 JKGE Cc1occc1C(=O)N/N=C1\CCCc2oc(C(=O)Nc3cc(Cl)ccc3Cl)c(C)c21 40823508 MHRKTAKYXSRYGG-WGOQTCKBSA-N 460.317 5.519 50 10 JKGE N#C/C(=C\c1ccc(-c2ccc(C34CC5CC(CC(C5)C3)C4)cc2[N+](=O)[O-])o1)c1ccccc1 58832896 UUZAOAQECMZNHR-YDZHTSKRSA-N 450.538 7.387 50 10 JKGE CCOc1ccc([C@H](O)CCC(=O)N/N=C\c2ccc(-c3cc(Cl)ccc3Cl)o2)cc1 58893127 VWRXYZOYAJNTMF-WZRHPCBOSA-N 461.345 5.616 50 10 JKGE CCOc1ccc([C@@H](O)CCC(=O)N/N=C\c2ccc(OCc3cccc(C)c3)c(OCC)c2)cc1 58893252 PMJPGHWDZLAPOG-UAWDSHSBSA-N 490.600 5.335 50 10 JKGE CCCc1cc(C(=O)OC)c(NC(=O)/C(C#N)=C/c2ccc(COc3cccc(Cl)c3)o2)s1 58978655 XQEOOQNJTGSJSC-XNTDXEJSSA-N 484.961 5.858 50 10 JKGE CN(c1ccccc1)c1ccc(/C=N/NC(=O)COc2ccc(C(C)(C)CC(C)(C)C)cc2)cc1 59378627 MMQMHFQKIVOGNS-AJBULDERSA-N 471.645 6.697 50 10 JKGE Cc1c(/C=C(\C#N)C(=O)NC[C@H]2CCCO2)c2ccccc2n1Cc1ccc(Cl)cc1Cl 59396276 KRPGTXJCSFLHEJ-BUDOKORBSA-N 468.384 5.507 50 10 JKGE O=C(CNc1cccc(N2CCCC2=O)c1)N/N=C/c1ccc2ccc3cccc4ccc1c2c34 59507443 RTXQDHRSVKKGKX-KBVAKVRCSA-N 460.537 5.273 50 10 JKGE Cc1ccc(C[C@H](Br)c2cc(Br)sc2Br)cc1C 109870147 RCECXLMTZCBIQS-LBPRGKRZSA-N 453.037 6.569 50 10 JKGE COc1c(C)cc(Br)c(C)c1[C@H](Br)c1cccc(F)c1Br 125710788 RDZJKKVELWSGMI-OAHLLOKOSA-N 480.997 6.460 50 10 JKGE Brc1ccc([C@H](Br)c2ccc(Br)c3ccccc23)cc1 127450398 YHZDNUFDYAMAKB-KRWDZBQOSA-N 454.987 6.849 50 10 JKGE Brc1ccc(Br)c([C@H](Br)c2ccc3c(c2)CCCO3)c1 161096273 AVXNZRBHVHLQHN-MRXNPFEDSA-N 460.991 6.021 50 10 JKGE CC[C@@H](NC(=O)/C(C#N)=C\Nc1ccc(Cl)c(C(F)(F)F)c1)c1ccc2c(c1)CCCC2 217189925 KLMJEEDEYHFEBC-MTPVXSITSA-N 461.915 6.324 50 10 JKGE Cc1sc([C@@H](Br)c2cccc(Br)c2Cl)cc1Br 227838197 GGMAFUDXQKMQDB-NSHDSACASA-N 459.428 6.719 50 10 JKGE Cc1cc([C@@H](Br)c2cc(Br)c(Cl)s2)ccc1Br 227845291 OZJSMEQUVFXRMV-LLVKDONJSA-N 459.428 6.719 50 10 JKGE CC(C)(CCCBr)CNC(=O)c1cc(Br)c(Br)s1 227924161 XPPNBSAFZDEFGI-UHFFFAOYSA-N 462.045 5.204 50 10 JKGE Clc1cc([C@@H](Br)c2cccc(Br)c2Cl)sc1Br 228453955 MYIWRRRMINONAI-VIFPVBQESA-N 479.846 7.064 50 10 JKGE BrCc1ccc(Oc2ccc(Br)cc2Br)cc1Br 232486932 HTIZHZZCIRLBQE-UHFFFAOYSA-N 499.822 6.661 50 10 JKGE Cc1sc(Br)cc1[C@H](Br)c1cc(Cl)cc(Br)c1 235822989 ZNCOCJLKNMFUCH-GFCCVEGCSA-N 459.428 6.719 50 10 JKGE O=C(NN=Cc1cccc(I)c1)c1cc(-c2ccccc2)nc2ccccc12 245266514 JOTVJLNCVIHRQP-UHFFFAOYSA-N 477.305 5.270 50 10 JKGE CCN(CC)c1ccc(/C=C(/NC(=O)c2ccccc2Cl)C(=O)NN=Cc2ccc(F)cc2)cc1 252618111 LDXCSDQAICZLRU-HYMXWBNZSA-N 492.982 5.247 50 10 JKGE Cc1ccc(C(=O)NN=Cc2cc(Br)ccc2OCc2ccccc2C#N)cc1Cl 254395749 VCBXDSFBTMCFED-UHFFFAOYSA-N 482.765 5.626 50 10 JKGE 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 257372763 APYOKISKLZLBOK-YQUOWJQLSA-N 486.741 5.110 50 10 JKGE BrC[C@@H](Cc1ccccc1Br)Cc1ccsc1Br 388874313 DEPYHPGXSAVOKS-JTQLQIEISA-N 453.037 6.069 50 10 JKGE C[C@@H](Cl)c1nc2cc(I)c(F)cc2n1[C@H](C)COCc1ccccc1 390531191 IRCLNSWCKYVOEO-CHWSQXEVSA-N 472.729 5.858 50 10 JKGE FC1(F)CCCC[C@H]1[C@@H](Br)c1cc(Br)c(Br)s1 392911165 FJFIKKMKKLRWBC-IMTBSYHQSA-N 452.984 6.535 50 10 JKGE CC(C)(C)[Si](C)(C)OCCN1CCCO[C@H](c2ccc(CO[Si](C)(C)C(C)(C)C)cc2)C1 616681732 UYRIAGJVBFKWLJ-DEOSSOPVSA-N 479.854 6.994 50 10 JKGE CC1(C)COc2c([C@H](Br)c3csc(Br)c3)cc(Br)cc21 688199401 UOXGLLMVFUHPEM-CYBMUJFWSA-N 481.047 6.427 50 10 JKGE C[C@@H](Cl)c1nc2cc(I)ccc2n1C[C@@H](C1CC1)N(C)Cc1ccccc1 718000274 YVQMLNKFVORRPU-VFNWGFHPSA-N 493.820 5.851 50 10 JKGE CCCCCOc1ccc([C@@H]2CN(Cc3ccccc3)C[C@@H]2CI)cc1 725425517 PFTUKDRVOIXRGK-GMAHTHKFSA-N 463.403 5.906 50 10 JKGE O=C(NN=C(CSc1nc2ccccc2o1)c1ccc(-c2ccccc2)cc1)c1cccnc1 1084076900 YKHXTCYPVFMCTJ-UHFFFAOYSA-N 464.550 5.816 50 10 JKGE COc1cc(C=NNC(=O)c2cc3ccccc3o2)ccc1OCc1ccc2ccccc2c1 1084370530 ZXAMYDTWCCHOOL-UHFFFAOYSA-N 450.494 5.938 50 10 JKGE Cc1cc(C=NNC(=O)CCSc2ccc(Cl)cc2)c(C)n1-c1cccc(Cl)c1Cl 1084526456 VXWPEQGKQTVHPB-UHFFFAOYSA-N 480.848 6.687 50 10 JKGE N#CC(/C=N/c1ccc(Br)c(Cl)c1)=C/Nc1ccc(Br)c(Cl)c1 1088648278 XNTZJEUIFKBYFK-GJWPAGLISA-N 473.983 6.740 50 10 JKGE Cc1c(C(=O)N2c3ccc(F)cc3CC[C@@H]2C)oc2c1C(=NNC(=O)c1ccccc1Cl)CCC2 1772744207 SJKLWCOUOLWDFL-HNNXBMFYSA-N 493.966 5.832 50 10 JKGE COc1ccc(C(=O)NN=C2CCCc3oc(C(=O)Oc4cc(C)c(Cl)c(C)c4)c(C)c32)cc1 1772746016 PIJTVJWABWXXKW-UHFFFAOYSA-N 480.948 5.556 50 10 JKGE Cc1ccc(NC(=O)c2oc3c(c2C)C(=NNC(=O)c2ccc(-c4ccccc4)cc2)CCC3)c(C)c1 1772748329 WFFQBVQKURCONM-UHFFFAOYSA-N 491.591 6.595 50 10 JKGE O=C(COc1ccc(-c2ccccc2)cc1Br)NN=Cc1ccc(Br)o1 1772753858 CLKFCVWNDGAGKU-UHFFFAOYSA-N 478.140 5.001 50 10 JKGE COc1cc([C@H]2C(C#N)=C(N)Oc3c2c(C)nn3-c2ccc(C)cc2)ccc1OCCc1ccccc1 1865688221 NJGROSSEOLJCPD-NDEPHWFRSA-N 492.579 5.337 50 10 JKGE CCCOc1ccc([C@H]2C(C#N)=C(N)Oc3c2c(-c2ccccc2)nn3-c2cccc(Cl)c2)cc1 1865692497 BVYMKXIGSHDGLP-DEOSSOPVSA-N 482.971 6.200 50 10 JKGE CCCc1nn(CC(C)C)c2c1[C@H](c1ccc(N(CC)Cc3ccccc3)cc1)C(C#N)=C(N)O2 1865706774 FILXEVQGUGUKSQ-AREMUKBSSA-N 469.633 5.736 50 10 JKGE COc1ccc([C@@H]2C(C#N)=C(N)Oc3c2c(C(F)(F)F)nn3-c2cccc3ccccc23)c(OC)c1 1865707873 IHPPIMLBJLZPLA-OAQYLSRUSA-N 492.457 5.280 50 10 JKGE CCCCc1ccc(-c2csc(/C(C#N)=C(\O)c3ccc4c(c3)C(=O)N([C@@H](C)CC)C4=O)n2)cc1 1872744666 CIOFFSCPMFAWAZ-KZIRDTCISA-N 485.609 6.497 50 10 JKGE CCOc1ccc(-c2csc(/C(C#N)=C(O)/C(=C\c3ccccc3)c3ccccc3)n2)cc1 1872747847 WDHJQSXCDBICBI-VQTBGSHBSA-N 450.563 7.242 50 10 JKGE CC[C@H](C)[C@@H](/C(O)=C(\C#N)c1nc(-c2ccc(C)cc2)cs1)N1C(=O)c2ccccc2C1=O 1872749208 HBHFFEWINYRNCN-LPLHYYEHSA-N 457.555 5.622 50 10 JKGE Cc1cc(C)c(C)c(-c2csc(/C(C#N)=C(\O)COc3cc(C)c(Cl)c(C)c3)n2)c1C 1872754141 DYMRNEYTKNVZPH-XDOYNYLZSA-N 453.007 7.186 50 10 JKGE COc1ccc(OC)c(-c2csc(/C(C#N)=C(\O)CCCCCNC(=O)c3ccccc3)n2)c1 1873920336 DIEHGKOTRJUIJJ-LNVKXUELSA-N 477.586 5.610 50 10 JKGE CC1(C)C[C@]1(Cl)[C@@H](Br)c1cc(Br)ccc1OCc1ccccc1 1899856409 HZQBCYYOPVHMNX-HKUYNNGSSA-N 458.621 6.872 50 10 JKGE Cl[C@@H](c1cc(Br)co1)c1ccc(OCc2ccccc2)cc1Br 1899864200 YFKXDAHKEIDVSS-GOSISDBHSA-N 456.561 6.712 50 10 JKGE Cc1c(Br)sc([C@H](Br)c2cccc(C3CC3)c2)c1Br 1922934440 GPPMLUNZTXYTMJ-CYBMUJFWSA-N 465.048 6.943 50 10 JKGE Cc1cccc([C@@H](Cl)c2sc(Cl)cc2Br)c1I 1948824289 WTAKZNVYWXBKRC-SNVBAGLBSA-N 461.977 6.405 50 10 JKGE Brc1sc(Br)c([C@@H](Br)[C@H]2[C@H]3CCC[C@H]32)c1Br 1979710972 RSIYVKREWSBRNA-GCJQMDKQSA-N 493.884 6.518 50 10 JKGE COCC(C)(C)N(Cc1ccccc1)c1cc(Br)cc(F)c1CBr 2004046818 GBLJJQGFKZYXJM-UHFFFAOYSA-N 459.197 5.915 50 10 JKGE CCC[C@H](CCBr)CNC(=O)c1csc(Br)c1Br 2032953791 QFLFOEXBZWMAJK-MRVPVSSYSA-N 462.045 5.204 50 10 JKGE Fc1cccc(F)c1C[C@@H](Br)c1csc(Br)c1Br 2032954129 XHDZADISBRMIAO-MRVPVSSYSA-N 460.963 6.230 50 10 JKGE FC(F)(F)C[C@@H](CBr)NCc1c(Br)cccc1Br 2033093186 GWGZUAXIJUGZFW-ZETCQYMHSA-N 453.922 5.017 50 10 JKGE CCOC(=O)c1ccc(-c2ccc(C=C(C#N)c3nc(O)c4c5c(sc4n3)C[C@@H](C)CC5)o2)cc1 2042445904 GJUIBNFBNNIMKF-HNNXBMFYSA-N 485.565 6.023 50 10 JKGE FC(F)(F)C1([C@H](Br)c2cc(Br)c(Br)s2)CCCC1 2052994757 XOESFKDGQTZKKU-MRVPVSSYSA-N 470.974 6.832 50 10 JKGE Cc1c(Br)sc([C@@H](Br)[C@]23CO[C@](CF)(C2)C3)c1Br 2082593998 JXKNIVAPZNZZRS-YUSALJHKSA-N 463.004 5.536 50 10 JKGE Clc1cccc(C[C@H](Cl)c2ccc(Br)cc2I)c1 2086145119 IWZLFGLDNJFUGO-ZDUSSCGKSA-N 455.948 6.230 50 10 JKGE Clc1ccc([C@H](Cl)c2ccc(Br)cc2I)c(Cl)c1 2086149518 ORNGBFDONTYFOG-ZDUSSCGKSA-N 476.366 6.689 50 10 JKGE Fc1cccc(Oc2cc(Br)cc(F)c2CBr)c1Br 2114266440 RYONEZDLZNVINL-UHFFFAOYSA-N 456.906 6.177 50 10 JKGE CN(CC1CCN(Cc2ccccc2)CC1)c1cc(Br)cc(F)c1CBr 2114267515 JKWIZQPNDGDMQM-UHFFFAOYSA-N 484.251 5.832 50 10 JKGE Cc1c(Br)sc([C@H](Cl)c2cc(Cl)c(F)cc2F)c1Br 2122802844 STYIJTLAKHDYHO-SNVBAGLBSA-N 450.957 6.841 50 10 JKGE Cc1c(Br)ccc([C@H](Br)C2(CC3CC3)CCC2)c1Br 2138850410 MBUCKBAOKCQNBM-HNNXBMFYSA-N 451.040 6.926 50 10 JKGE Fc1cc(Cl)c([C@@H](Br)c2c(Br)cccc2Br)cc1Cl 2139427509 YKQKCUPNQCKXLS-CYBMUJFWSA-N 491.807 7.142 50 10 JKGE O=C(N[C@@H]1c2ccccc2C[C@H]1Br)c1csc(Br)c1Br 2150344281 HFHGKTCZBLDJSQ-ZYHUDNBSSA-N 480.019 5.064 50 10 JKGE C[C@@H](Cl)c1nc2cc(Br)c(Cl)cc2n1-c1cscc1Br 2160060502 JHJDRZDEWZGHKW-ZCFIWIBFSA-N 455.002 6.565 50 10 JKGE ClCc1nc2cc(Cl)c(Br)cc2n1Cc1csc(Br)c1 2169007906 CBBUOPDYHJWUDC-UHFFFAOYSA-N 455.002 6.063 50 10 JKGE BrCc1cc(Br)cc(Br)c1OCCCOCC1CCC1 2184704572 YJGJYXGINIYSFT-UHFFFAOYSA-N 471.027 5.692 50 10 JKGE C[C@@H](c1cc(Br)cs1)N(C)c1c(CCl)ccc(Br)c1Cl 2186579984 XWBFVTLBXNVEDY-QMMMGPOBSA-N 458.046 6.863 50 10 JKGE Cc1nn(C)c([C@@H](Br)c2c(Br)cc(F)c(F)c2F)c1Br 2192376375 UPZHIQWYCNTJFS-VIFPVBQESA-N 476.916 5.155 50 10 JKGE CC1(C)C[C@](C)(CBr)CN1C(=O)c1c(Br)cccc1Br 2199536059 PTIGPZMIISPRNB-OAHLLOKOSA-N 468.027 5.237 50 10 JKGE CC(C)(C)OC(=O)N1CCC[C@](CI)(OC[C@H]2C[C@@H]2C2CCCCCC2)C1 2200762837 UCUBPZUFSKZHHB-WOIUINJBSA-N 491.454 5.814 50 10 JKGE Cc1cc(Br)c(C)c([C@@H](Br)C23CCC(F)(CC2)C3)c1Br 2201076794 ZBWWEILBOSCGBC-QQFBHYJXSA-N 469.030 6.937 50 10 JKGE CC[C@@H](c1ccccc1)[C@@H](Br)c1ccc(Br)c(C)c1Br 2203684120 GEFYBBXFKPMXRV-SUMWQHHRSA-N 461.035 7.150 50 10 JKGE COc1cc(F)c(F)cc1[C@@H](Br)c1c(Br)cccc1Br 2204481666 QGYBDWWSASRDKO-CQSZACIVSA-N 470.933 5.983 50 10 JKGE Fc1ccc(CO[C@@H](CI)c2ccccc2F)c(Br)c1 2206263981 DAASOCFKJVCIDA-HNNXBMFYSA-N 453.064 5.420 50 10 JKGE CCC1CCC(CI)(OCc2cc(F)ccc2Br)CC1 2206274661 YQVAVBBWQCTLKJ-UHFFFAOYSA-N 455.149 5.879 50 10 JKGE CC1(C)C[C@@H](Cl)C[C@H](c2sc(Br)c(Br)c2Br)C1 2216420736 ODFJHHIEEKBQPF-BQBZGAKWSA-N 465.476 6.937 50 10 JKGE Cc1ccc([C@@H](Br)c2cc(Br)c(C)s2)c(C)c1Br 2218970999 WEQRPBPPOZJGKQ-CQSZACIVSA-N 453.037 6.683 50 10 JKGE CC(C)(C)OC(=O)NC[C@H]1C[C@H](C(C)(C)C)CN(CCCCCI)C1 2220213100 BYESWNKRTYLYQL-SJORKVTESA-N 466.448 5.101 50 10 JKGE C[C@@H]1O[C@H](C)[C@H]([C@@H](Br)c2c(Br)cc(Cl)c(Cl)c2Cl)[C@H]1C 2232508740 AQEOOUTZOYTKQG-YLYRHLFOSA-N 465.440 6.905 50 10 JKGE Cc1cc([C@H](Br)c2c(Br)cc(Cl)c(Cl)c2Cl)ccc1Cl 2232512370 NQVBMRSZFIAELI-LBPRGKRZSA-N 477.838 7.855 50 10 JKGE C[C@]1([C@@H](Br)c2c(Br)cc(Cl)c(Cl)c2Cl)CCCC1(F)F 2232512523 NQDQRZHLLVKIMY-NWDGAFQWSA-N 471.394 7.671 50 10 JKGE CC[C@@H](C[C@@H](Br)c1c(Br)cc(Cl)c(Cl)c1Cl)C(C)(C)C 2232518389 BVAMVMVIUQWBTP-DTWKUNHWSA-N 465.484 8.308 50 10 JKGE C[C@@H]1C[C@H](n2c(CCCl)nc3c(F)cc(Br)cc32)CN1Cc1ccccc1 2232920597 CUFOXXXWPFZKHY-PBHICJAKSA-N 450.783 5.555 50 10 JKGE Cc1c(Br)cnc2c1nc([C@H](C)Cl)n2C[C@@H]1CC1(Br)Br 2233037346 BESSQVKHFVNAGY-YUMQZZPRSA-N 486.433 5.308 50 10 JKGE CC(C)(C)[C@@H](C[C@@H](Br)c1cc(Br)c(Br)cc1F)C(F)F 2233978210 ZBQBHUUJZALICB-DTWKUNHWSA-N 480.988 7.104 50 10 JKGE Cc1cc(Br)c([C@@H](Br)C2(CC3CCC3)CC2)c(C)c1Br 2235610470 QTDPMGIDTQGRKA-MRXNPFEDSA-N 465.067 7.235 50 10 JKGE O=C(c1ccc(Cl)c(I)c1)N(Cc1ccccc1)C1(CCl)CCC1 2248257924 PFXPAJHTAAIOAS-UHFFFAOYSA-N 474.169 5.749 50 10 JKGE Cc1ccc([C@@H](Br)c2cc(Cl)c(Cl)cc2C)cc1I 2264364236 FDEYITGEDCRZEQ-OAHLLOKOSA-N 469.975 6.699 50 10 JKGE Cc1cc(Br)c([C@H](Br)[C@@H]2CCC[C@H]2C(F)F)cc1Br 2270153149 BJGHTPUYZRTAKR-JRKPZEMJSA-N 460.982 6.637 50 10 JKGE CS(=O)(=O)c1cscc1[C@@H](Br)c1ccc(Br)cc1Br 2272866995 ADUVGHXCRXWCIZ-LBPRGKRZSA-N 489.048 5.161 50 10 JKGE CCOc1cc(Cl)c([C@@H](Br)c2scc(Br)c2Cl)cc1Cl 2279288828 WZMCAWBRWBOFEY-LLVKDONJSA-N 479.448 7.354 50 10 JKGE Brc1ccc(CN2C[C@H](Br)C[C@@H]3CCCC[C@@H]32)c(Br)c1 2279526936 BIFRJNBZVLBJRY-PEYYIBSZSA-N 466.055 5.740 50 10 JKGE CC(C=NNC(=O)c1cc(-c2ccc(OCc3ccc(C)cc3)cc2)[nH]n1)=Cc1ccccc1 2293727238 CWWLFPQIIRORMW-UHFFFAOYSA-N 450.542 5.783 50 10 JKGE CCN(CC)c1ccc(C=C(C#N)c2nc3ccccc3[nH]2)c(OCc2ccc(Cl)cc2Cl)c1 2295146349 JPUQPJJJWXTEGN-UHFFFAOYSA-N 491.422 7.359 50 10 JKGE Brc1cc(Br)cc(C[C@@H](Br)c2cccc(C3CC3)c2)c1 2295341283 BQMYCUHGFGZTFI-QGZVFWFLSA-N 459.019 6.768 50 10 JKGE Brc1cc(Br)cc(C[C@@H](Br)c2snc3ccccc23)c1 2295345587 NULBOMIETXMQRM-CYBMUJFWSA-N 476.031 6.500 50 10 JKGE Cc1cccc(C[C@@H]2SC(=C(C#N)C(=O)NCc3ccccc3)N(c3ccc(Cl)cc3)C2=O)c1 2296834997 LAKLKASKMCQIAK-DEOSSOPVSA-N 488.012 5.391 50 10 JKGE O=C(NC(=CF)[P+](c1ccccc1)(c1ccccc1)c1ccccc1)C(Cl)(Cl)Cl 2297497873 YYKGGKMSRVFZIU-UHFFFAOYSA-O 467.715 5.235 50 10 JKGE FC1(F)CC[C@@H]2[C@@H]([C@H](Br)c3sc(Cl)cc3I)[C@@H]21 2300954533 ZBHWZUQJZDTTPY-GXTPVXIHSA-N 453.517 5.733 50 10 JKGE CCCN(Cc1ccc(I)c(Br)c1)C[C@H](C)Br 2306219313 KSNOANUPYPNOFG-JTQLQIEISA-N 475.006 5.049 50 10 JKGE N#CC(=Cc1ccc(-c2ccc(Cl)c(Cl)c2)o1)C(=O)N1CCN(c2ccccc2)CC1 2313545789 FSCLWBXGABHWDV-UHFFFAOYSA-N 452.341 5.509 50 10 JKGE COc1ccccc1NC(=O)C(C#N)=Cc1ccc(-c2ccc(Br)c(C)c2C)o1 2313549517 YDUXKPUNXRUXIK-UHFFFAOYSA-N 451.320 5.880 50 10 JKGE COc1cc(C=C(C#N)C(=O)Nc2cccc(Cl)c2C)ccc1OCc1ccccc1Cl 2313681109 JHAQEEYPQBFIAS-UHFFFAOYSA-N 467.352 6.435 50 10 JKGE CCc1ccc(N2C(=O)[C@H](Cc3cccc(C)c3)SC2=C(C#N)C(=O)Nc2ccccc2C)cc1 2314592163 MUOZBCCPAGJXDN-SANMLTNESA-N 481.621 5.931 50 10 JKGE Cc1cccc(C[C@@H]2SC(=C(C#N)C(=O)NCc3ccccc3)N(c3ccc(C(C)C)cc3)C2=O)c1 2314592908 DJKFBOOFMRYUGL-MHZLTWQESA-N 495.648 5.861 50 10 JKGE Cc1ccc(N2C(=O)[C@H](Cc3ccccc3)SC2=C(C#N)C(=O)NCc2ccccc2)cc1C 2314593463 NDLKDFDOOZUKFT-VWLOTQADSA-N 467.594 5.046 50 10 JKGE COc1cc(C=C2C(=O)N(Cc3ccc(F)cc3)C(=O)C(C#N)=C2C)ccc1OCc1ccccc1 2314619842 GESLZAKPFWMPRM-UHFFFAOYSA-N 482.511 5.206 50 10 JKGE COc1cc(C=C(C#N)c2ccc(Cl)cc2)ccc1OC(=O)CCc1ccc(Cl)cc1 2314790257 XGLPXGISTNMVHF-UHFFFAOYSA-N 452.337 6.604 50 10 JKGE ClCc1ccc(Cl)c(Oc2cc(Br)cc(I)c2)n1 2316720338 AVJZSTWADORRMA-UHFFFAOYSA-N 458.908 5.633 50 10 JKGE O=C(NN=Cc1c(Cl)cccc1Cl)c1cc(-c2ccccc2)nc(N2CCCCC2)n1 2323758714 YMQZBFBJDWRJHN-UHFFFAOYSA-N 454.361 5.205 50 10 JKGE CCc1cccc(C)c1NC=C(C#N)C(=O)N1CCN(C(c2ccccc2)c2ccccc2)CC1 2324599332 ZIGPRBMPQDJYRS-UHFFFAOYSA-N 464.613 5.311 50 10 JKGE Cc1cc(Cl)c([C@@H](Br)c2cc(Br)sc2Br)c(Cl)c1 2327902120 AAXNGGIYGGEVIH-NSHDSACASA-N 493.873 7.373 50 10 JKGE CCCCCCOc1ccc(C=NNC(=O)CCCCCNC(=O)OC(C)(C)C)cc1OC 2328835256 XPMNSSNRAHFCIF-UHFFFAOYSA-N 463.619 5.190 50 10 JKGE CCCOc1ccc(-c2csc(NC(=O)C(C#N)=Cc3cccc(Cl)c3)c2C(=O)OCC)cc1 2329687254 VARRWILJRUYZMI-UHFFFAOYSA-N 495.000 6.580 50 10 JKGE CCOc1cc(C=C(C#N)c2ccccc2[N+](=O)[O-])ccc1OCc1ccc(Cl)cc1Cl 2331066296 WRAITEOXZAUPHD-UHFFFAOYSA-N 469.324 6.943 50 10 JKGE CC[C@H](C)N1C(=O)c2ccc(C(O)=C(C#N)c3nc(-c4ccccc4Cl)cs3)cc2C1=O 2331266001 QGOPXFYAZAQWHW-ZDUSSCGKSA-N 463.946 5.808 50 10 JKGE N#CC(=C(O)c1ccc2c(c1)C(=O)N(CCc1ccccc1)C2=O)c1nc(-c2cccs2)cs1 2331326343 XLIUHLRYCRPCAB-UHFFFAOYSA-N 483.574 5.660 50 10 JKGE COc1ccc(-c2csc(C(C#N)=C(O)CCCN3C(=O)c4ccccc4C3=O)n2)c(C)c1C 2331361361 NJUPHTYMIXPPMX-UHFFFAOYSA-N 473.554 5.305 50 10 JKGE CCc1cccc(CC)c1N1C[C@@H](C(O)=C(C#N)c2nc(-c3c(C)cc(C)cc3C)cs2)CC1=O 2331393966 NUQGKXWQISCYOL-QFIPXVFZSA-N 485.653 6.706 50 10 JKGE COc1ccc(OCC(O)=C(C#N)c2nc(-c3cc(C)c(OC)cc3C)cs2)c(C(C)(C)C)c1 2331402725 KGSFAUKFPCWRKC-UHFFFAOYSA-N 478.614 6.613 50 10 JKGE CCOc1cc(C=C(C#N)c2nc(-c3ccc(OC)c(C)c3)cs2)ccc1OCc1ccccc1 2331429535 FBSSPPFDIXHRKX-UHFFFAOYSA-N 482.605 7.169 50 10 JKGE Brc1ccc(OCc2ccccc2)c([C@H](Br)C2C3(CCC3)C23CCC3)c1 2336041227 MFUGVFCYFXIOHW-FQEVSTJZSA-N 476.252 7.435 50 10 JKGE CC1(C[C@@H](Br)c2c(Cl)cc(Br)c(F)c2Br)CCCC1 2337084968 RXOBLPZYDZULRS-SECBINFHSA-N 477.437 7.411 50 10 JKGE COc1csc([C@H](Br)c2c(C)cc(Br)c(F)c2Br)c1 2339675659 SIMFQEKZLZQHPE-NSHDSACASA-N 472.999 6.214 50 10 JKGE CO[C@]1(C(F)F)C[C@H]([C@@H](Br)c2ccc(OCc3ccccc3)cc2Br)C1 2343011482 DDUDXRJCHNDZOV-DJKXOVBDSA-N 490.182 6.524 50 10 JKGE C[C@H]1CCC[C@](CCl)(NCc2ccc(I)c(Br)c2)C1 2349846147 VSEVBJGXVHTZCY-NHYWBVRUSA-N 456.593 5.331 50 10 JKGE Clc1ccc(I)cc1C[C@@H]1C[C@@H]2CCCC[C@H]2[C@@H]1Br 2352427596 JQHOJFZOFAVIJI-PNEXNCLXSA-N 453.589 6.077 50 10 JKGE Cc1cc(Cl)cc([C@@H](Br)c2c(F)cc(Cl)c(Br)c2Cl)c1 2360495294 ZNLYEWWQCVEYGV-GFCCVEGCSA-N 461.383 7.341 50 10 JKGE Cc1c(F)ccc([C@H](Br)Cc2cc(Br)cc(Br)c2)c1Cl 2363878718 FMEBTOFOLQQVDL-CYBMUJFWSA-N 485.416 6.991 50 10 JKGE Cc1cc(Br)c([C@@H](Br)c2ccc(F)c(C)c2Cl)cc1Br 2364114434 LCJFAWHYMNDYNZ-AWEZNQCLSA-N 485.416 7.105 50 10 JKGE COc1cc(F)c(COC2(CBr)CCN(C(=O)OC(C)(C)C)CC2)c(Cl)c1 2364640456 AYEXTRDLALHPRZ-UHFFFAOYSA-N 466.775 5.169 50 10 JKGE COc1c(Br)cc(C)c([C@@H](Br)c2sc(C)cc2C)c1Br 2365217279 CKSYIULBOWTVDG-CYBMUJFWSA-N 483.063 6.691 50 10 JKGE Cc1cc(Br)c([C@@H](Br)C23CC(C[C@@H](C)O2)C3)c(C)c1Br 2368040438 UGBHOLNGSPEUCW-FTARWIBASA-N 467.039 6.222 50 10 JKGE Cc1sc([C@H](Br)c2cc3c(cc2Br)OCCC3)cc1Br 2369629861 PXOXFMSLFVEQDQ-OAHLLOKOSA-N 481.047 6.391 50 10 JKGE ClC[C@@H](Cc1ccc(Br)cc1)Cc1cc(I)ccc1Cl 2380464471 AVGRHTFJEAVKLT-LBPRGKRZSA-N 484.002 6.347 50 10 JKGE